smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)cc(Cl)n1 ZINC001164386987 718814655 /nfs/dbraw/zinc/81/46/55/718814655.db2.gz CQLPHUWKUZGQFL-ZDUSSCGKSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164389111 718815119 /nfs/dbraw/zinc/81/51/19/718815119.db2.gz SYYZCZOGIWPXDS-ZDUSSCGKSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4C[C@]4([NH3+])C3)cc2c1Cl ZINC001164420117 718897846 /nfs/dbraw/zinc/89/78/46/718897846.db2.gz KMADTDHZEWZSKQ-HWPZZCPQSA-N 1 0 383.229 3.886 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623771 719046504 /nfs/dbraw/zinc/04/65/04/719046504.db2.gz MZUWOUHIAVTSAE-HKUYNNGSSA-N 1 0 388.849 3.735 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C#C[Si](C)(C)C)[C@@H]2C ZINC001164858128 720980137 /nfs/dbraw/zinc/98/01/37/720980137.db2.gz HLYWPEWQQDPTDG-GOSISDBHSA-N 1 0 395.627 3.928 20 30 GHEDRO N#Cc1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164905785 721527770 /nfs/dbraw/zinc/52/77/70/721527770.db2.gz IEOJMLQTLIKIOP-CTNGQTDRSA-N 1 0 388.446 3.587 20 30 GHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)c(C)cc2C#N)CC1 ZINC001165022460 721840402 /nfs/dbraw/zinc/84/04/02/721840402.db2.gz SYCZYEKKWHQFCC-UHFFFAOYSA-N 1 0 394.519 3.688 20 30 GHEDRO C=CCOc1cc(C)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995601 722200312 /nfs/dbraw/zinc/20/03/12/722200312.db2.gz OLYMGXPOQXJQQH-JOCHJYFZSA-N 1 0 382.483 3.734 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)on2)c1 ZINC000580926658 837430228 /nfs/dbraw/zinc/43/02/28/837430228.db2.gz HEZTWSUWHOYNIT-NRFANRHFSA-N 1 0 386.455 3.780 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3cc(C#N)nc4ccccc43)CC2)cc1 ZINC000610274625 837440785 /nfs/dbraw/zinc/44/07/85/837440785.db2.gz UVYCZSWXINIHJC-UHFFFAOYSA-N 1 0 386.499 3.861 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000049790181 837703059 /nfs/dbraw/zinc/70/30/59/837703059.db2.gz MDWZUMQBRIOTLQ-OAQYLSRUSA-N 1 0 392.503 3.545 20 30 GHEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000186697362 834445661 /nfs/dbraw/zinc/44/56/61/834445661.db2.gz PDJXIECCTNDZRB-XJKSGUPXSA-N 1 0 376.522 3.647 20 30 GHEDRO N#Cc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C(F)(F)F)c1 ZINC000583472572 834451592 /nfs/dbraw/zinc/45/15/92/834451592.db2.gz PTDBBZQPSVRRMM-UHFFFAOYSA-N 1 0 375.310 3.651 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000120098271 834457195 /nfs/dbraw/zinc/45/71/95/834457195.db2.gz LJVDDHGJQAFSLQ-AWEZNQCLSA-N 1 0 398.429 3.599 20 30 GHEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000262390139 834571778 /nfs/dbraw/zinc/57/17/78/834571778.db2.gz YSJSECUOIQOALI-KRWDZBQOSA-N 1 0 388.899 3.531 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000329233874 834588588 /nfs/dbraw/zinc/58/85/88/834588588.db2.gz HGWQGWMIFCTGDQ-UHFFFAOYSA-N 1 0 378.538 3.864 20 30 GHEDRO CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000329246071 834629427 /nfs/dbraw/zinc/62/94/27/834629427.db2.gz QXFYKUMRSDIOFH-GOSISDBHSA-N 1 0 395.613 3.732 20 30 GHEDRO Cc1nc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)sc1SCC#N ZINC000044789320 834658993 /nfs/dbraw/zinc/65/89/93/834658993.db2.gz FNHDFJYNSINMQP-UHFFFAOYSA-N 1 0 386.546 3.727 20 30 GHEDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4ccc(C#N)cc43)CC2)cc1 ZINC000583663710 834834586 /nfs/dbraw/zinc/83/45/86/834834586.db2.gz RKWKRVBUDCWVMM-HSZRJFAPSA-N 1 0 389.499 3.839 20 30 GHEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000329352633 834891537 /nfs/dbraw/zinc/89/15/37/834891537.db2.gz DWDSUJFDHOITFO-YKSBVNFPSA-N 1 0 392.499 3.972 20 30 GHEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329352630 834891696 /nfs/dbraw/zinc/89/16/96/834891696.db2.gz DWDSUJFDHOITFO-GBXCKJPGSA-N 1 0 392.499 3.972 20 30 GHEDRO CC(C)(C#N)CNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000458645500 834899870 /nfs/dbraw/zinc/89/98/70/834899870.db2.gz JKIQAQMHDGIHIS-HXUWFJFHSA-N 1 0 382.552 3.868 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1Oc1ccccc1 ZINC000579818695 835082965 /nfs/dbraw/zinc/08/29/65/835082965.db2.gz QPXSPTKCYDLLPM-VXNXHJTFSA-N 1 0 391.515 3.742 20 30 GHEDRO COc1ccccc1NC(=O)C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000052641800 835175663 /nfs/dbraw/zinc/17/56/63/835175663.db2.gz KXPBFYJSZBPKPU-UHFFFAOYSA-N 1 0 393.487 3.686 20 30 GHEDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000043646614 835183785 /nfs/dbraw/zinc/18/37/85/835183785.db2.gz LVUAPKKZZVKNFN-QGZVFWFLSA-N 1 0 378.394 3.643 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)CC1 ZINC000133721745 835184297 /nfs/dbraw/zinc/18/42/97/835184297.db2.gz MIPQDZKBNYMKKX-UHFFFAOYSA-N 1 0 388.511 3.640 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C2CCC(CO)CC2)c1C#N ZINC000120351266 835189396 /nfs/dbraw/zinc/18/93/96/835189396.db2.gz SCVLXZNTTCIAPO-UHFFFAOYSA-N 1 0 386.540 3.513 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2SCCc3ccccc32)c(-c2ccncc2)n1 ZINC000433326807 844027684 /nfs/dbraw/zinc/02/76/84/844027684.db2.gz PKWUJBLDVGMIFR-NRFANRHFSA-N 1 0 389.528 3.979 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1 ZINC000187165989 835213199 /nfs/dbraw/zinc/21/31/99/835213199.db2.gz GMFILUVPPCUCOY-JOCHJYFZSA-N 1 0 389.499 3.552 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000157571449 835249702 /nfs/dbraw/zinc/24/97/02/835249702.db2.gz AXMLOIDEERGSAK-OALUTQOASA-N 1 0 391.471 3.513 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000433355615 844038959 /nfs/dbraw/zinc/03/89/59/844038959.db2.gz PTJGCIBTGKOTLB-FQEVSTJZSA-N 1 0 379.529 3.946 20 30 GHEDRO CON=Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000254965780 835423594 /nfs/dbraw/zinc/42/35/94/835423594.db2.gz UNEUSXIVWGQFEA-FRIKZZABSA-N 1 0 377.488 3.592 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584022688 835458674 /nfs/dbraw/zinc/45/86/74/835458674.db2.gz BNZJBMGETAAZNW-WOJBJXKFSA-N 1 0 390.487 3.553 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433365920 844054382 /nfs/dbraw/zinc/05/43/82/844054382.db2.gz QVZKTVJYNGTTIT-DHIUTWEWSA-N 1 0 375.516 3.739 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N[C@@H](C#N)c1cccc(Br)c1)c1ccccc1 ZINC000433369935 844057013 /nfs/dbraw/zinc/05/70/13/844057013.db2.gz BBIUECRAVOIGFX-ZWKOTPCHSA-N 1 0 386.293 3.823 20 30 GHEDRO Cc1ccc2c(CC[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)c[nH]c2c1 ZINC000278591001 835498862 /nfs/dbraw/zinc/49/88/62/835498862.db2.gz GVBCLMPGFYXEEM-UHFFFAOYSA-N 1 0 384.487 3.981 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@](C)(C#N)C3)cc2)C1 ZINC000612107899 835501061 /nfs/dbraw/zinc/50/10/61/835501061.db2.gz VDBWYYZJIBAVDK-SELNLUPBSA-N 1 0 382.552 4.000 20 30 GHEDRO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000548865908 835575215 /nfs/dbraw/zinc/57/52/15/835575215.db2.gz JIYRRZFFFFILSW-IBGZPJMESA-N 1 0 376.504 3.891 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000612131528 835580287 /nfs/dbraw/zinc/58/02/87/835580287.db2.gz YSBVGSIDYOWJIA-CTNGQTDRSA-N 1 0 383.536 3.687 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)c2)c1 ZINC000179373014 835584352 /nfs/dbraw/zinc/58/43/52/835584352.db2.gz XZUFFVPFMOJKQL-NRFANRHFSA-N 1 0 378.472 3.722 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432871485 844072396 /nfs/dbraw/zinc/07/23/96/844072396.db2.gz HZNUYGBJARFXQC-LIRRHRJNSA-N 1 0 378.394 3.816 20 30 GHEDRO N#Cc1cc(C(=O)OC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c[nH]1 ZINC000785218715 835732444 /nfs/dbraw/zinc/73/24/44/835732444.db2.gz DCSBOLHCQLDNAC-UHFFFAOYSA-N 1 0 393.365 3.606 20 30 GHEDRO CC[NH+](CC)[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)CC(C)C ZINC000278670686 835745623 /nfs/dbraw/zinc/74/56/23/835745623.db2.gz OAKWBHDBVHEBFU-OAQYLSRUSA-N 1 0 382.556 3.705 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000102752217 835871991 /nfs/dbraw/zinc/87/19/91/835871991.db2.gz BZUBXHHBFWTAJR-IAGOWNOFSA-N 1 0 381.476 3.580 20 30 GHEDRO N#CCOc1cccc(CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000134690617 835903557 /nfs/dbraw/zinc/90/35/57/835903557.db2.gz VAKNJJLQUBQGDU-NRFANRHFSA-N 1 0 397.906 3.738 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccc(C#N)cc1 ZINC000278753076 835967983 /nfs/dbraw/zinc/96/79/83/835967983.db2.gz NZABQCOERLLZGY-JOCHJYFZSA-N 1 0 391.515 3.841 20 30 GHEDRO O=C(c1ccccc1)C(C(=S)Nc1ccccc1F)[n+]1cccc(CO)c1 ZINC000015245889 836023592 /nfs/dbraw/zinc/02/35/92/836023592.db2.gz XLTOTPRRADZVJO-UHFFFAOYSA-O 1 0 381.452 3.656 20 30 GHEDRO CC[C@@H](CNC(=O)c1cccc(SCC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000429967726 844120171 /nfs/dbraw/zinc/12/01/71/844120171.db2.gz YDESCMLGLHFYLZ-FQEVSTJZSA-N 1 0 379.529 3.869 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](CCCC(C)(C)OC(C)=O)C2)CC1 ZINC001209148874 836058928 /nfs/dbraw/zinc/05/89/28/836058928.db2.gz NOHGRRINXIZAGM-UHFFFAOYSA-N 1 0 380.529 3.609 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCOCC1 ZINC000179859951 836078981 /nfs/dbraw/zinc/07/89/81/836078981.db2.gz XOPVHVRRQGVNDC-CQSZACIVSA-N 1 0 375.538 3.622 20 30 GHEDRO N#Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC000612357810 836113130 /nfs/dbraw/zinc/11/31/30/836113130.db2.gz IWCLFSYUOUKKEQ-QWFCFKBJSA-N 1 0 394.906 3.637 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000612372286 836130780 /nfs/dbraw/zinc/13/07/80/836130780.db2.gz NOSZFCBNZZHSOF-PKOBYXMFSA-N 1 0 394.441 3.615 20 30 GHEDRO C=CCCCC[N@H+]1CC2(C[C@H]1C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC2 ZINC001209200055 836156430 /nfs/dbraw/zinc/15/64/30/836156430.db2.gz AEEFRIGGPWTMCE-SFHVURJKSA-N 1 0 394.556 3.997 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1OC ZINC000092644754 844142978 /nfs/dbraw/zinc/14/29/78/844142978.db2.gz BOFUDNWUYPZJGX-UHFFFAOYSA-N 1 0 386.536 3.921 20 30 GHEDRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1C(C)(C)C ZINC000065930433 836254626 /nfs/dbraw/zinc/25/46/26/836254626.db2.gz MWGJCSQGMPMUJL-UHFFFAOYSA-N 1 0 395.551 3.837 20 30 GHEDRO CSc1nc(C(F)F)cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000582251815 836255432 /nfs/dbraw/zinc/25/54/32/836255432.db2.gz IRTOFIBLMMEWHH-UHFFFAOYSA-N 1 0 377.464 3.576 20 30 GHEDRO CCOC(=O)C1CCC([N@H+](CC)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000548944869 836463355 /nfs/dbraw/zinc/46/33/55/836463355.db2.gz POTUBPBVWSOFPH-UHFFFAOYSA-N 1 0 394.519 3.903 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)CC1 ZINC000180001374 836568901 /nfs/dbraw/zinc/56/89/01/836568901.db2.gz AMANNNLPBLITGZ-OAQYLSRUSA-N 1 0 391.563 3.903 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1ccccc1Cl ZINC000065127697 844193814 /nfs/dbraw/zinc/19/38/14/844193814.db2.gz IVHJHXATSAVMKF-UHFFFAOYSA-N 1 0 399.922 3.961 20 30 GHEDRO N#CCCN(C(=O)CN1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000170820855 836734164 /nfs/dbraw/zinc/73/41/64/836734164.db2.gz WMSAXHVAJLDKHN-FQEVSTJZSA-N 1 0 388.943 3.537 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000175596240 836756453 /nfs/dbraw/zinc/75/64/53/836756453.db2.gz WFPVUQIJDGHRIO-OXQOHEQNSA-N 1 0 380.467 3.550 20 30 GHEDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658929688 836795079 /nfs/dbraw/zinc/79/50/79/836795079.db2.gz KOOKSWGAGAGFTH-JTQLQIEISA-N 1 0 386.311 3.705 20 30 GHEDRO CN(CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472467102 836804662 /nfs/dbraw/zinc/80/46/62/836804662.db2.gz BBINWRVVVJGBND-QHCPKHFHSA-N 1 0 390.531 3.530 20 30 GHEDRO Cn1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c(-c2ccc(C#N)cc2)n1 ZINC000180262275 836898230 /nfs/dbraw/zinc/89/82/30/836898230.db2.gz WBHMMGXCCSHZSF-QHCPKHFHSA-N 1 0 386.499 3.792 20 30 GHEDRO COc1ccccc1[C@H]1CC[C@H](C)CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238974 836920955 /nfs/dbraw/zinc/92/09/55/836920955.db2.gz JFWRJKKMPZMSKR-LAUBAEHRSA-N 1 0 398.528 3.814 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1cccc(CO)c1 ZINC000027310992 837041810 /nfs/dbraw/zinc/04/18/10/837041810.db2.gz PTYNMGGFDOTIDH-UHFFFAOYSA-O 1 0 397.564 3.805 20 30 GHEDRO C[C@H]1CCCC[C@H]1NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000027488039 837054590 /nfs/dbraw/zinc/05/45/90/837054590.db2.gz IWFUBMZGOGJXHG-MAUKXSAKSA-O 1 0 398.508 3.989 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 ZINC000080079789 837056936 /nfs/dbraw/zinc/05/69/36/837056936.db2.gz DQEDKYZJVMVFPL-UHFFFAOYSA-N 1 0 375.488 3.581 20 30 GHEDRO COc1cccc(/C(C)=C/C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000177731354 837081821 /nfs/dbraw/zinc/08/18/21/837081821.db2.gz PVVMSIIYMOTIOT-XDJHFCHBSA-N 1 0 389.499 3.705 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)CC1 ZINC000102854940 837082160 /nfs/dbraw/zinc/08/21/60/837082160.db2.gz FBDQCQVPZZMGJP-UHFFFAOYSA-N 1 0 396.531 3.668 20 30 GHEDRO Cc1ccc(Cl)cc1-c1noc([C@H](c2cccc(C#N)c2)N2CC[NH2+]CC2)n1 ZINC001211641011 837087227 /nfs/dbraw/zinc/08/72/27/837087227.db2.gz VCEHUGNMHPAMPA-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000472487030 837117626 /nfs/dbraw/zinc/11/76/26/837117626.db2.gz NLTTUEVBIFDCJQ-HSZRJFAPSA-N 1 0 392.547 3.601 20 30 GHEDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351443 837168814 /nfs/dbraw/zinc/16/88/14/837168814.db2.gz ALBVZLJTJGIVAF-VFNWGFHPSA-N 1 0 378.451 3.700 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000180422344 837241232 /nfs/dbraw/zinc/24/12/32/837241232.db2.gz KFYWIGFCMWAJMF-UHFFFAOYSA-N 1 0 375.476 3.608 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000535964390 837315136 /nfs/dbraw/zinc/31/51/36/837315136.db2.gz QQVILDTXFZUDNG-LJQANCHMSA-N 1 0 390.487 3.768 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023604015 837343271 /nfs/dbraw/zinc/34/32/71/837343271.db2.gz AWZQSWUSGVYOPR-UHFFFAOYSA-O 1 0 398.483 3.601 20 30 GHEDRO N#Cc1cccc(COc2cccc(CN3CCO[C@@H]([C@@H]4CCCO4)C3)c2)c1 ZINC000180565313 837356330 /nfs/dbraw/zinc/35/63/30/837356330.db2.gz NMAVDPKBOAQYIO-XZOQPEGZSA-N 1 0 378.472 3.517 20 30 GHEDRO Cc1ccnc(N2CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000458805809 837365275 /nfs/dbraw/zinc/36/52/75/837365275.db2.gz VGHURSYRABEFRE-FQEVSTJZSA-N 1 0 377.492 3.657 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000728711526 837916607 /nfs/dbraw/zinc/91/66/07/837916607.db2.gz CUBGHMSCZJPZQQ-IBGZPJMESA-N 1 0 391.515 3.691 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000181285262 837930509 /nfs/dbraw/zinc/93/05/09/837930509.db2.gz MYJVYMYBKIVLKK-QGZVFWFLSA-N 1 0 391.496 3.745 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)o2)cc1 ZINC000377762690 837938526 /nfs/dbraw/zinc/93/85/26/837938526.db2.gz DLCLIJDVUOYFFQ-VXKWHMMOSA-N 1 0 399.498 3.562 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000510299007 838028433 /nfs/dbraw/zinc/02/84/33/838028433.db2.gz OPGNPBSAXFGSOX-KRWDZBQOSA-N 1 0 379.504 3.855 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115566502 838029187 /nfs/dbraw/zinc/02/91/87/838029187.db2.gz QLUGQESRZMPEPI-IOJLRTSASA-N 1 0 389.609 3.848 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@]3(CCOC3)C2)sc2c1CCCCC2 ZINC000576347521 844287661 /nfs/dbraw/zinc/28/76/61/844287661.db2.gz KZESTTLKEJXRML-NRFANRHFSA-N 1 0 387.549 3.720 20 30 GHEDRO CO[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@@H](C[NH3+])C1 ZINC000415806096 838131198 /nfs/dbraw/zinc/13/11/98/838131198.db2.gz NSRJPIBYLKAUJD-QZTJIDSGSA-N 1 0 396.516 3.679 20 30 GHEDRO N#Cc1ccc(CN[C@@H](CO)c2cccc(Br)c2)c(OC(F)F)c1 ZINC000541053261 838217091 /nfs/dbraw/zinc/21/70/91/838217091.db2.gz MLFRMWLDUXBXCF-HNNXBMFYSA-N 1 0 397.219 3.745 20 30 GHEDRO CCc1nnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C#N)c1CC ZINC000535685224 844305752 /nfs/dbraw/zinc/30/57/52/844305752.db2.gz HGNRKUCITRGVOU-UHFFFAOYSA-N 1 0 389.547 3.966 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000178258592 838310334 /nfs/dbraw/zinc/31/03/34/838310334.db2.gz YCLPUXVIGYCPRK-RTBURBONSA-N 1 0 386.536 3.603 20 30 GHEDRO C[C@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000610313369 838340240 /nfs/dbraw/zinc/34/02/40/838340240.db2.gz HVHVMKRSMBJQTC-IBGZPJMESA-N 1 0 386.499 3.901 20 30 GHEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000589291189 838361351 /nfs/dbraw/zinc/36/13/51/838361351.db2.gz ULNFWKIQXWDLDE-GGAORHGYSA-N 1 0 379.504 3.623 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376594155 838404482 /nfs/dbraw/zinc/40/44/82/838404482.db2.gz CRRQBZAJVVZTAL-UHFFFAOYSA-N 1 0 376.504 3.975 20 30 GHEDRO C[C@H](OC[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000376595679 838415584 /nfs/dbraw/zinc/41/55/84/838415584.db2.gz PWCQBMZJCIBRIW-PXNSSMCTSA-N 1 0 399.922 3.731 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189886694 838438939 /nfs/dbraw/zinc/43/89/39/838438939.db2.gz SALUMDSSXARXCI-JTSKRJEESA-N 1 0 385.471 3.590 20 30 GHEDRO C[C@@H]1CC[C@H](Oc2c(Br)cc(Br)cc2C=NO)C[NH2+]1 ZINC001218403993 838486690 /nfs/dbraw/zinc/48/66/90/838486690.db2.gz YWHIIPKHZVVEQC-KCJUWKMLSA-N 1 0 392.091 3.539 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(C(C)(C)C)cc1 ZINC000041465538 838492090 /nfs/dbraw/zinc/49/20/90/838492090.db2.gz PVMLTPVKHSEJHV-UHFFFAOYSA-O 1 0 399.536 3.591 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180022976 838496287 /nfs/dbraw/zinc/49/62/87/838496287.db2.gz GLMBRROZIFADFL-MJGOQNOKSA-N 1 0 378.476 3.764 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(C#N)cc3OC)CCN2C2CC2)c1 ZINC000549114073 838569493 /nfs/dbraw/zinc/56/94/93/838569493.db2.gz PZSJKSAWSDXRBK-GMAHTHKFSA-N 1 0 377.488 3.643 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H](C)c2cccnc2)c1C#N ZINC000541194128 838637770 /nfs/dbraw/zinc/63/77/70/838637770.db2.gz CAQMDJWGCRMTNJ-INIZCTEOSA-N 1 0 391.475 3.692 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000549117977 838664132 /nfs/dbraw/zinc/66/41/32/838664132.db2.gz PIAPDZDBLARWTB-QYZOEREBSA-N 1 0 393.934 3.770 20 30 GHEDRO Cc1ccc(F)cc1NC(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001167353257 838867928 /nfs/dbraw/zinc/86/79/28/838867928.db2.gz HLTZCYBILWLBQT-UHFFFAOYSA-N 1 0 381.451 3.878 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(c3ccccc3Cl)CC2)cc1 ZINC000580244417 839114014 /nfs/dbraw/zinc/11/40/14/839114014.db2.gz FMHPNWUXYCDVSG-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO CN(C(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1(C#N)CCCCC1 ZINC000549165491 839115011 /nfs/dbraw/zinc/11/50/11/839115011.db2.gz KDKCSDAHQZZVOW-OAQYLSRUSA-N 1 0 396.579 3.562 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000415082818 839179602 /nfs/dbraw/zinc/17/96/02/839179602.db2.gz MDPIEJUEZJAVCY-OAHLLOKOSA-N 1 0 394.475 3.950 20 30 GHEDRO CC(=O)N1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)c2ccccc2C1 ZINC000378498101 839235051 /nfs/dbraw/zinc/23/50/51/839235051.db2.gz PNCLOVNWPKCYCP-JOCHJYFZSA-N 1 0 379.529 3.875 20 30 GHEDRO CC(=O)N1CC[C@H]([NH2+]CCSCc2ccccc2C#N)c2ccccc2C1 ZINC000378498105 839235287 /nfs/dbraw/zinc/23/52/87/839235287.db2.gz PNCLOVNWPKCYCP-QFIPXVFZSA-N 1 0 379.529 3.875 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000415134921 839250948 /nfs/dbraw/zinc/25/09/48/839250948.db2.gz WKZQIMXMSVQWRZ-HOCLYGCPSA-N 1 0 397.357 3.829 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415128320 839253331 /nfs/dbraw/zinc/25/33/31/839253331.db2.gz SZYLZHZBUUBARH-UHFFFAOYSA-N 1 0 390.487 3.877 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000570946264 839275562 /nfs/dbraw/zinc/27/55/62/839275562.db2.gz UGIQRAXAPKKWAU-HXUWFJFHSA-N 1 0 380.488 3.604 20 30 GHEDRO N#Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1Cl ZINC000579540885 839280785 /nfs/dbraw/zinc/28/07/85/839280785.db2.gz BWKAKHTWKJRUOF-AZUAARDMSA-N 1 0 379.891 3.806 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000580349066 839351555 /nfs/dbraw/zinc/35/15/55/839351555.db2.gz PICWPSRTQNNBKG-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO CN(CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccco1 ZINC000565882524 839379995 /nfs/dbraw/zinc/37/99/95/839379995.db2.gz BOAXCMMNFXYWCF-UHFFFAOYSA-N 1 0 388.899 3.587 20 30 GHEDRO C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000074918196 839434602 /nfs/dbraw/zinc/43/46/02/839434602.db2.gz HHETXBHQIFTXPQ-GOSISDBHSA-N 1 0 376.504 3.925 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c1OC ZINC000579605907 839461709 /nfs/dbraw/zinc/46/17/09/839461709.db2.gz CVAKFXWJTZEEDN-GOSISDBHSA-N 1 0 383.467 3.782 20 30 GHEDRO C[C@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894064689 844452912 /nfs/dbraw/zinc/45/29/12/844452912.db2.gz VKKVZOZGXZSRHW-LPHOPBHVSA-N 1 0 382.533 3.672 20 30 GHEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)CC2 ZINC000328607180 839742768 /nfs/dbraw/zinc/74/27/68/839742768.db2.gz VDPRAIWQJJLNGD-HNNXBMFYSA-N 1 0 394.441 3.967 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CCOCC1 ZINC000537225026 839847011 /nfs/dbraw/zinc/84/70/11/839847011.db2.gz QSIBJNVLTVNRFY-FQEVSTJZSA-N 1 0 386.540 3.825 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3nc(-c4ccccc4)ccc3C#N)cc2)CC1 ZINC001167422784 839888867 /nfs/dbraw/zinc/88/88/67/839888867.db2.gz BGXCWMOMXDPFHS-UHFFFAOYSA-N 1 0 383.499 3.984 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000510335770 840076513 /nfs/dbraw/zinc/07/65/13/840076513.db2.gz IOGIQIHDCQAPJC-FQEVSTJZSA-N 1 0 378.476 3.916 20 30 GHEDRO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000610458759 840102341 /nfs/dbraw/zinc/10/23/41/840102341.db2.gz ROYWIDSQYUSRGR-RBUKOAKNSA-N 1 0 376.504 3.925 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000580768340 840156917 /nfs/dbraw/zinc/15/69/17/840156917.db2.gz ODVXAQAZOBXSGF-FCHUYYIVSA-N 1 0 398.514 3.547 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000068883558 840203565 /nfs/dbraw/zinc/20/35/65/840203565.db2.gz CSGREVXHUVGYNA-JOCHJYFZSA-N 1 0 392.503 3.567 20 30 GHEDRO C[N@H+](CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000431975981 840208412 /nfs/dbraw/zinc/20/84/12/840208412.db2.gz ZAFNUTFOPAZZKB-NRFANRHFSA-N 1 0 382.483 3.992 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1O2 ZINC000122974091 840213792 /nfs/dbraw/zinc/21/37/92/840213792.db2.gz GRJAORLHDSMCBE-IBGZPJMESA-N 1 0 395.890 3.930 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000416905072 840264516 /nfs/dbraw/zinc/26/45/16/840264516.db2.gz PYWADQIGUYIBLK-LJQANCHMSA-N 1 0 381.524 3.767 20 30 GHEDRO N#CCc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000584587601 840361616 /nfs/dbraw/zinc/36/16/16/840361616.db2.gz QMJSWXGDSJAGSM-NOTZXAQLSA-N 1 0 388.515 3.747 20 30 GHEDRO O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328755118 840371288 /nfs/dbraw/zinc/37/12/88/840371288.db2.gz SSICBCMKKCDTCZ-WOJBJXKFSA-N 1 0 384.524 3.656 20 30 GHEDRO N#Cc1nc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000511676366 840501968 /nfs/dbraw/zinc/50/19/68/840501968.db2.gz UHXMBYOUILHHLI-AWEZNQCLSA-N 1 0 380.801 3.734 20 30 GHEDRO COc1ccc(COCCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160713929 840553314 /nfs/dbraw/zinc/55/33/14/840553314.db2.gz ZFPZBDBWLDEMQF-UHFFFAOYSA-N 1 0 397.397 3.927 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(-n3cccn3)cc2)cc1OCCCC#N ZINC000064614043 840670431 /nfs/dbraw/zinc/67/04/31/840670431.db2.gz QIHOIKQFPSKHOU-UHFFFAOYSA-N 1 0 376.460 3.853 20 30 GHEDRO C[C@@H](O)C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000160756345 840672647 /nfs/dbraw/zinc/67/26/47/840672647.db2.gz FPOANFSZYJKOBN-HIFRSBDPSA-N 1 0 381.398 3.867 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511770229 840696268 /nfs/dbraw/zinc/69/62/68/840696268.db2.gz SJJWEYGTANJLJZ-GCJKJVERSA-N 1 0 391.515 3.742 20 30 GHEDRO C[C@@H]1COc2ccccc2C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000543870182 840724799 /nfs/dbraw/zinc/72/47/99/840724799.db2.gz RMOGFPUOAQRTCW-CQSZACIVSA-N 1 0 381.501 3.720 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000573491585 844568467 /nfs/dbraw/zinc/56/84/67/844568467.db2.gz SVOUIKIJPVFAEK-SFHVURJKSA-N 1 0 399.502 3.911 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000511620646 840778293 /nfs/dbraw/zinc/77/82/93/840778293.db2.gz RQFUNGDPJMACLE-UHFFFAOYSA-N 1 0 398.429 3.884 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000150716661 840968934 /nfs/dbraw/zinc/96/89/34/840968934.db2.gz BFMKEGMLRVTSAV-UHFFFAOYSA-N 1 0 394.906 3.826 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000276131558 841070748 /nfs/dbraw/zinc/07/07/48/841070748.db2.gz IZWSXLKXQICASX-UHFFFAOYSA-N 1 0 376.504 3.537 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000510401585 841194835 /nfs/dbraw/zinc/19/48/35/841194835.db2.gz IFGXWJSZAQQIJB-UHFFFAOYSA-N 1 0 381.495 3.796 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccccc1 ZINC000027058856 841204218 /nfs/dbraw/zinc/20/42/18/841204218.db2.gz SWECBIHMWGDADU-UHFFFAOYSA-O 1 0 396.536 3.673 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000053405206 841248228 /nfs/dbraw/zinc/24/82/28/841248228.db2.gz BFKLBRCSBXHCKS-QGZVFWFLSA-N 1 0 395.503 3.971 20 30 GHEDRO COCCNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1cccc(C)c1 ZINC000027306338 841377774 /nfs/dbraw/zinc/37/77/74/841377774.db2.gz MNSOKDHUEFYAPC-UHFFFAOYSA-O 1 0 399.561 3.980 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329248876 861199704 /nfs/dbraw/zinc/19/97/04/861199704.db2.gz AMQVOXLHVNUHBF-BUIAKZPTSA-N 1 0 378.561 3.677 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000843671272 841446626 /nfs/dbraw/zinc/44/66/26/841446626.db2.gz RPOQEFACIPAIHN-IBGZPJMESA-N 1 0 377.532 3.670 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc1OC ZINC000623562820 861207611 /nfs/dbraw/zinc/20/76/11/861207611.db2.gz DHTYKGYXAATGKN-SOLBZPMBSA-N 1 0 383.916 3.569 20 30 GHEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(NC([O-])=[NH+]c3ccccc3)c2)CC[N@H+]1C ZINC000329260036 861216161 /nfs/dbraw/zinc/21/61/61/861216161.db2.gz CRWPZLWXGPWCAH-CVEARBPZSA-N 1 0 381.480 3.914 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NCCCSC)cc1 ZINC000027479133 841718390 /nfs/dbraw/zinc/71/83/90/841718390.db2.gz KHXSTZDYPIARSG-UHFFFAOYSA-O 1 0 390.598 3.763 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000045611780 841726385 /nfs/dbraw/zinc/72/63/85/841726385.db2.gz ZWBNGJCYYZKDNJ-MRXNPFEDSA-N 1 0 395.450 3.721 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1 ZINC000157324774 841810283 /nfs/dbraw/zinc/81/02/83/841810283.db2.gz SIYLNRYZOMNNKU-FQEVSTJZSA-N 1 0 383.536 3.686 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)CCC2CC2)c1C#N ZINC000135263713 841847637 /nfs/dbraw/zinc/84/76/37/841847637.db2.gz MKCWQWQIJWTVSK-UHFFFAOYSA-N 1 0 382.483 3.834 20 30 GHEDRO N#CCC[C@H](C#N)C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000603842787 861256083 /nfs/dbraw/zinc/25/60/83/861256083.db2.gz DVGWKAXTMCLDII-OAHLLOKOSA-N 1 0 376.298 3.530 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3nc4c(cc3C#N)CCC4)CC2)c1 ZINC000603851588 861272728 /nfs/dbraw/zinc/27/27/28/861272728.db2.gz MJPKUZIYBQNNMJ-UHFFFAOYSA-N 1 0 389.547 3.765 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623641669 861267145 /nfs/dbraw/zinc/26/71/45/861267145.db2.gz UTFDHTCPANXLPN-NRFANRHFSA-N 1 0 379.504 3.517 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@@H]3CCCc4c5cc(Cl)ccc5[nH]c43)cnc12 ZINC000600209134 861282351 /nfs/dbraw/zinc/28/23/51/861282351.db2.gz XRYDPHGUQQUWJO-GOSISDBHSA-N 1 0 376.851 3.903 20 30 GHEDRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329323831 861286375 /nfs/dbraw/zinc/28/63/75/861286375.db2.gz SEOYJLISUHFGMA-UONOGXRCSA-N 1 0 398.334 3.773 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(CC#N)cc2)C2(CCOCC2)CC1 ZINC000933507824 842301786 /nfs/dbraw/zinc/30/17/86/842301786.db2.gz BKHNBTIPDZSVET-UHFFFAOYSA-N 1 0 399.535 3.745 20 30 GHEDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000891570034 842342895 /nfs/dbraw/zinc/34/28/95/842342895.db2.gz REAURTVGXJFVRZ-IBGZPJMESA-N 1 0 379.504 3.732 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000662083806 842610669 /nfs/dbraw/zinc/61/06/69/842610669.db2.gz KRGZABJYSHGBPY-OYRHEFFESA-N 1 0 380.488 3.796 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512153794 842663532 /nfs/dbraw/zinc/66/35/32/842663532.db2.gz VKLKNVBAEUJVSM-KRWDZBQOSA-N 1 0 399.466 3.624 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000107600896 842752423 /nfs/dbraw/zinc/75/24/23/842752423.db2.gz HUDJSGDSXQMWDV-NRFANRHFSA-N 1 0 376.504 3.666 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000028338416 861347418 /nfs/dbraw/zinc/34/74/18/861347418.db2.gz KWHUKHFUOWKFHA-STQMWFEESA-N 1 0 384.867 3.848 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+](C)C ZINC000510528249 842907414 /nfs/dbraw/zinc/90/74/14/842907414.db2.gz WNPXXLUQPGKCAU-KSFYIVLOSA-N 1 0 388.471 3.943 20 30 GHEDRO C[C@H]([NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C)C(=O)Nc1ccccc1C#N ZINC000471861290 842923245 /nfs/dbraw/zinc/92/32/45/842923245.db2.gz NNSBOLTZLVMQDK-ORYQWCPZSA-N 1 0 377.488 3.859 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000279322852 842984367 /nfs/dbraw/zinc/98/43/67/842984367.db2.gz BWRCPIGDSPVBMN-SFHVURJKSA-N 1 0 375.451 3.987 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127358506 843035655 /nfs/dbraw/zinc/03/56/55/843035655.db2.gz RWXGRTAIQOQDLX-HNNXBMFYSA-N 1 0 382.426 3.828 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(F)c3OC)C[C@@H]2c2ccccc2)C1=O ZINC001143523297 843069135 /nfs/dbraw/zinc/06/91/35/843069135.db2.gz IVJCOBHIFHTUHI-YKSBVNFPSA-N 1 0 394.490 3.838 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000481450750 861387298 /nfs/dbraw/zinc/38/72/98/861387298.db2.gz YAJZMELYMDRYHN-SJCJKPOMSA-N 1 0 377.897 3.968 20 30 GHEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)cc3OC(F)F)CCOCC2)cc1 ZINC000610613940 843299176 /nfs/dbraw/zinc/29/91/76/843299176.db2.gz SZJKFVSRBUQBJY-UHFFFAOYSA-N 1 0 388.414 3.964 20 30 GHEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 ZINC000599608182 861403307 /nfs/dbraw/zinc/40/33/07/861403307.db2.gz JXYMDZFZQSHUPT-SZPZYZBQSA-N 1 0 394.450 3.953 20 30 GHEDRO CC(C)N(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843695463 843323542 /nfs/dbraw/zinc/32/35/42/843323542.db2.gz BBJRUIZFRFHEIL-QFIPXVFZSA-N 1 0 391.515 3.643 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138607701 861404528 /nfs/dbraw/zinc/40/45/28/861404528.db2.gz DCZKKBUKEVXMLY-INIZCTEOSA-N 1 0 381.501 3.513 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCc2ccccc2C1 ZINC000512317574 843358802 /nfs/dbraw/zinc/35/88/02/843358802.db2.gz DMFLFCYHINGZQE-QGZVFWFLSA-N 1 0 379.529 3.926 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000549663469 843361935 /nfs/dbraw/zinc/36/19/35/843361935.db2.gz NLMMGQRKIMSYFZ-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662558363 843402371 /nfs/dbraw/zinc/40/23/71/843402371.db2.gz VICLGRHHXUNTAR-SKDRFNHKSA-N 1 0 386.311 3.704 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(F)F ZINC000662567310 843412126 /nfs/dbraw/zinc/41/21/26/843412126.db2.gz UIKUIGXHFKXVJB-SECBINFHSA-N 1 0 396.253 3.688 20 30 GHEDRO C=CCN1C(=O)N(C[C@H](c2ccco2)[NH+](CC)CC)C(=O)[C@@H]1Cc1ccccc1 ZINC000431015428 843426311 /nfs/dbraw/zinc/42/63/11/843426311.db2.gz URTJYCMKKXQFST-VQTJNVASSA-N 1 0 395.503 3.724 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418691825 843538514 /nfs/dbraw/zinc/53/85/14/843538514.db2.gz ZLXCGMKWKYEBOE-DLBZAZTESA-N 1 0 375.925 3.855 20 30 GHEDRO CC(C)N1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(F)c(F)c1 ZINC000572505229 843670644 /nfs/dbraw/zinc/67/06/44/843670644.db2.gz YKZMKADWIAIHOS-IRLDBZIGSA-N 1 0 395.457 3.798 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000563123269 843696932 /nfs/dbraw/zinc/69/69/32/843696932.db2.gz FQRGHQDFUHOYTM-OAHLLOKOSA-N 1 0 386.569 3.597 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599651213 861449580 /nfs/dbraw/zinc/44/95/80/861449580.db2.gz DQTSHJYBRKIBMO-FMKPAKJESA-N 1 0 390.325 3.578 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1 ZINC000731111165 861473191 /nfs/dbraw/zinc/47/31/91/861473191.db2.gz QOULENFTTVUCHN-UHFFFAOYSA-N 1 0 379.504 3.727 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000419302054 843942854 /nfs/dbraw/zinc/94/28/54/843942854.db2.gz FOLSXNSTSXTPKZ-MBOZVWFJSA-N 1 0 385.533 3.556 20 30 GHEDRO CCc1nc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)sc1C ZINC000433315279 844001865 /nfs/dbraw/zinc/00/18/65/844001865.db2.gz BCORAINEVSNQPU-UHFFFAOYSA-N 1 0 380.521 3.518 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Br)c1 ZINC000047010786 844682360 /nfs/dbraw/zinc/68/23/60/844682360.db2.gz IVKWEVYOQJNTAH-UHFFFAOYSA-N 1 0 386.293 3.525 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000610859483 844703236 /nfs/dbraw/zinc/70/32/36/844703236.db2.gz ZIDBKDZMRAHRLX-QFIPXVFZSA-N 1 0 397.950 3.992 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000277129145 844712724 /nfs/dbraw/zinc/71/27/24/844712724.db2.gz GGZDRBXURTUATH-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000614159345 844791642 /nfs/dbraw/zinc/79/16/42/844791642.db2.gz NYCNOEQBTUENFE-UHFFFAOYSA-N 1 0 391.515 3.577 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000458327405 845013209 /nfs/dbraw/zinc/01/32/09/845013209.db2.gz WEVIXYQJSQEYMS-UHFFFAOYSA-N 1 0 397.441 3.914 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000599685531 861527997 /nfs/dbraw/zinc/52/79/97/861527997.db2.gz FMOCUBBTKDGOSO-MRXNPFEDSA-N 1 0 391.298 3.857 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000411181445 845073156 /nfs/dbraw/zinc/07/31/56/845073156.db2.gz FYZCLTVJTAREBK-NRFANRHFSA-N 1 0 396.579 3.910 20 30 GHEDRO CCc1cccc(CC)c1NC(=O)CO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000097604593 845135497 /nfs/dbraw/zinc/13/54/97/845135497.db2.gz XNRJTIWWAYKFJH-LFVJCYFKSA-N 1 0 395.503 3.637 20 30 GHEDRO Cc1nnc(CNC(N[C@H](C)c2cc3ccccc3o2)=[NH+]C2CCCC2)n1C ZINC000261939295 845179770 /nfs/dbraw/zinc/17/97/70/845179770.db2.gz DGIHMSWHQAGRIC-CQSZACIVSA-N 1 0 380.496 3.609 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOCC3(CCCC3)C1)CCCC2 ZINC000614222691 845288195 /nfs/dbraw/zinc/28/81/95/845288195.db2.gz ZMEKFEQLMLPDSS-UHFFFAOYSA-N 1 0 387.549 3.720 20 30 GHEDRO Cc1ccccc1OCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000014079526 845490152 /nfs/dbraw/zinc/49/01/52/845490152.db2.gz ZWTXSAWMEOOLFS-UHFFFAOYSA-N 1 0 383.517 3.756 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000513518370 845567171 /nfs/dbraw/zinc/56/71/71/845567171.db2.gz DQPRMYGZDKZECY-UHFFFAOYSA-N 1 0 397.548 3.945 20 30 GHEDRO O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068219998 845575703 /nfs/dbraw/zinc/57/57/03/845575703.db2.gz UCPMRGCUVYHAIT-HNNXBMFYSA-N 1 0 380.427 3.506 20 30 GHEDRO Cc1noc([C@@H]2CCCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000329520209 861586157 /nfs/dbraw/zinc/58/61/57/861586157.db2.gz QGFZULMWVMPOKZ-ROUUACIJSA-N 1 0 375.517 3.616 20 30 GHEDRO Cc1noc([C@@H]2CCCCN2C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000329520414 861586304 /nfs/dbraw/zinc/58/63/04/861586304.db2.gz FKKXDRVRQSWQGJ-ACBHZAAOSA-N 1 0 389.544 3.862 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000277377729 845884974 /nfs/dbraw/zinc/88/49/74/845884974.db2.gz WCNGIUZFWYVPBJ-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000511049305 845974339 /nfs/dbraw/zinc/97/43/39/845974339.db2.gz QOPCLIQDZHYMKR-JOCHJYFZSA-N 1 0 379.479 3.947 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1O2 ZINC000119720992 846029431 /nfs/dbraw/zinc/02/94/31/846029431.db2.gz PYFKCMXLVLBCKJ-GOSISDBHSA-N 1 0 397.425 3.554 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCC[C@@H]1O ZINC000481540213 861633083 /nfs/dbraw/zinc/63/30/83/861633083.db2.gz ICWDNDIQXLMXIX-YJBOKZPZSA-N 1 0 389.565 3.700 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1 ZINC000502549904 846190378 /nfs/dbraw/zinc/19/03/78/846190378.db2.gz DXPMFLDGMQRPLU-NRFANRHFSA-N 1 0 391.450 3.808 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cc1F ZINC000421389728 846205427 /nfs/dbraw/zinc/20/54/27/846205427.db2.gz YDOZLIXNMUISSA-CYBMUJFWSA-N 1 0 395.247 3.540 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414523128 846287191 /nfs/dbraw/zinc/28/71/91/846287191.db2.gz CVCDVUNVRZRRCX-LJQANCHMSA-N 1 0 388.519 3.627 20 30 GHEDRO Cc1c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)ccc(C#N)c1C#N ZINC000421552780 846347964 /nfs/dbraw/zinc/34/79/64/846347964.db2.gz CDYDBTIFPGUWGR-LJQANCHMSA-N 1 0 394.425 3.834 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1OC ZINC000414541091 846446474 /nfs/dbraw/zinc/44/64/74/846446474.db2.gz PQZPNOVAXLKRFU-QHCPKHFHSA-N 1 0 397.515 3.880 20 30 GHEDRO CCc1cc(Br)cc2sc(NC(=O)[C@@H]([NH3+])CCCC#N)nc21 ZINC000582179938 846593391 /nfs/dbraw/zinc/59/33/91/846593391.db2.gz KEZUEOPPGQJVPO-NSHDSACASA-N 1 0 381.299 3.581 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367111111 846639135 /nfs/dbraw/zinc/63/91/35/846639135.db2.gz RXJBQQJSDBNEQV-NRFANRHFSA-N 1 0 389.455 3.580 20 30 GHEDRO COc1cc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c(F)cc1C#N ZINC000599812940 861708164 /nfs/dbraw/zinc/70/81/64/861708164.db2.gz WIRYMUFIXRTSDN-JLTOFOAXSA-N 1 0 384.455 3.827 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000161196133 846706862 /nfs/dbraw/zinc/70/68/62/846706862.db2.gz ZIKPWOFPUNLDOL-LJQANCHMSA-N 1 0 386.584 3.690 20 30 GHEDRO COc1cc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c(F)cc1C#N ZINC000599819051 861723021 /nfs/dbraw/zinc/72/30/21/861723021.db2.gz JJWIQSPPPJBDKL-HNNXBMFYSA-N 1 0 384.455 3.738 20 30 GHEDRO COc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(F)cc1C#N ZINC000599817591 861723325 /nfs/dbraw/zinc/72/33/25/861723325.db2.gz PNFOEJMMSBTGBH-JKSUJKDBSA-N 1 0 388.487 3.824 20 30 GHEDRO Cc1cc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)nn1CCC#N ZINC000272094206 846990295 /nfs/dbraw/zinc/99/02/95/846990295.db2.gz NRFLFCIXIOTMFX-SFHVURJKSA-N 1 0 394.523 3.890 20 30 GHEDRO CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000513717287 847011834 /nfs/dbraw/zinc/01/18/34/847011834.db2.gz NVLWYKHDWHNWGV-UHFFFAOYSA-N 1 0 388.559 3.954 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1ccccc1 ZINC000513724403 847280063 /nfs/dbraw/zinc/28/00/63/847280063.db2.gz GJRYKXXHKJEEPY-LEWJYISDSA-N 1 0 399.441 3.801 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501858270 847283419 /nfs/dbraw/zinc/28/34/19/847283419.db2.gz UMZXXLUCLZVSOW-QZTJIDSGSA-N 1 0 389.540 3.513 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261867659 847474684 /nfs/dbraw/zinc/47/46/84/847474684.db2.gz ZFTAVZQRWOOVQS-ZCNNSNEGSA-N 1 0 394.519 3.663 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513735141 847587536 /nfs/dbraw/zinc/58/75/36/847587536.db2.gz JYFSIDSKGOTHBY-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO CC[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000479341862 847594507 /nfs/dbraw/zinc/59/45/07/847594507.db2.gz GFSKBDHZVBYZQP-JOCHJYFZSA-N 1 0 388.515 3.683 20 30 GHEDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000421032516 847632783 /nfs/dbraw/zinc/63/27/83/847632783.db2.gz WVPCBFWDRAXWPE-APWZRJJASA-N 1 0 394.519 3.758 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503413823 847678860 /nfs/dbraw/zinc/67/88/60/847678860.db2.gz UYAZHJYWALQENV-HNNXBMFYSA-N 1 0 392.341 3.637 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000503420799 847685121 /nfs/dbraw/zinc/68/51/21/847685121.db2.gz MAIOXAPEEUTIDQ-FPOVZHCZSA-N 1 0 393.535 3.683 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000503498060 847750445 /nfs/dbraw/zinc/75/04/45/847750445.db2.gz UXPZYPVCLIXYJA-NRFANRHFSA-N 1 0 377.488 3.585 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000502387509 847833940 /nfs/dbraw/zinc/83/39/40/847833940.db2.gz UAASNRJQTHPWKU-UHFFFAOYSA-N 1 0 398.551 3.887 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001167594724 847942780 /nfs/dbraw/zinc/94/27/80/847942780.db2.gz QPBFNMWENDUWQK-JXFKEZNVSA-N 1 0 396.922 3.745 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(C#N)ccc3OC)c(C)c2)CC1 ZINC000502519305 847961797 /nfs/dbraw/zinc/96/17/97/847961797.db2.gz RJXDHUAQAZSDEU-UHFFFAOYSA-N 1 0 393.491 3.661 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000329634409 861852999 /nfs/dbraw/zinc/85/29/99/861852999.db2.gz XEDCFIAJVCZLQM-MSOLQXFVSA-N 1 0 386.471 3.687 20 30 GHEDRO CCC(CC)[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000480050484 848041274 /nfs/dbraw/zinc/04/12/74/848041274.db2.gz JPENKEGVOWJGCY-JOCHJYFZSA-N 1 0 379.552 3.949 20 30 GHEDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000277886531 848328526 /nfs/dbraw/zinc/32/85/26/848328526.db2.gz VRHMEJMOPSUQTF-JXFKEZNVSA-N 1 0 375.538 3.646 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119721721 848420199 /nfs/dbraw/zinc/42/01/99/848420199.db2.gz OXARCCMNXGGDQS-PBHICJAKSA-N 1 0 375.538 3.955 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(OC3CCC3)CC2)sc2c1CCCC2 ZINC000582835895 848522977 /nfs/dbraw/zinc/52/29/77/848522977.db2.gz ZUXJANVYQARFBX-UHFFFAOYSA-N 1 0 387.549 3.861 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000329113975 848533140 /nfs/dbraw/zinc/53/31/40/848533140.db2.gz SCIMHCZTGDXVQA-UHFFFAOYSA-N 1 0 388.899 3.680 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000153588747 848569078 /nfs/dbraw/zinc/56/90/78/848569078.db2.gz UYFUZPDIXXVAOV-HNNXBMFYSA-N 1 0 397.972 3.600 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000582885708 848627485 /nfs/dbraw/zinc/62/74/85/848627485.db2.gz OUOAPMXOEMZCKK-UZUQRXQVSA-N 1 0 398.526 3.619 20 30 GHEDRO N#Cc1ccc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000431503676 848631179 /nfs/dbraw/zinc/63/11/79/848631179.db2.gz BLTJDUIXUSVJGV-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000599934373 861930727 /nfs/dbraw/zinc/93/07/27/861930727.db2.gz KVGOBPBTBURFNX-LEWJYISDSA-N 1 0 380.467 3.550 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c(-c2ccccc2)n1 ZINC000121174144 848706423 /nfs/dbraw/zinc/70/64/23/848706423.db2.gz UWDNBFUXKZVLQE-OAQYLSRUSA-N 1 0 389.503 3.983 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC[C@@H]2CCCO2)c1 ZINC000121284160 848727761 /nfs/dbraw/zinc/72/77/61/848727761.db2.gz PRGHWHUSPFRXAB-KRWDZBQOSA-O 1 0 389.928 3.643 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458368156 848740990 /nfs/dbraw/zinc/74/09/90/848740990.db2.gz DUOCJXUFZYXJBC-UHFFFAOYSA-N 1 0 399.457 3.810 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(Cl)cc1 ZINC000582967919 848783556 /nfs/dbraw/zinc/78/35/56/848783556.db2.gz CHQJDKKHCHWEIK-VQTJNVASSA-N 1 0 383.923 3.874 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1O ZINC000122029699 848954673 /nfs/dbraw/zinc/95/46/73/848954673.db2.gz TWXAQFOVXXXTFN-NRFANRHFSA-N 1 0 380.488 3.583 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H]2c3ccccc3CC23CCOCC3)cc1Cl ZINC000583077075 849024189 /nfs/dbraw/zinc/02/41/89/849024189.db2.gz XFXXIKCAXHIRGW-NRFANRHFSA-N 1 0 395.890 3.834 20 30 GHEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1sc(-c2ccc(C)cc2)nc1C ZINC000731928527 861974552 /nfs/dbraw/zinc/97/45/52/861974552.db2.gz KPTLVPSSFKAZCR-UHFFFAOYSA-N 1 0 389.594 3.567 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc(CC#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000583127562 849127371 /nfs/dbraw/zinc/12/73/71/849127371.db2.gz MSGGZUAWEHKZHO-FCHUYYIVSA-N 1 0 390.487 3.861 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000481680216 862000941 /nfs/dbraw/zinc/00/09/41/862000941.db2.gz XZRDCNHPOZUBPM-SFHVURJKSA-N 1 0 379.426 3.859 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC2CCC(=O)CC2)C1 ZINC000329670514 862002128 /nfs/dbraw/zinc/00/21/28/862002128.db2.gz MWJMYZSYXIQFPN-CQSZACIVSA-N 1 0 394.313 3.903 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000583235905 849400211 /nfs/dbraw/zinc/40/02/11/849400211.db2.gz CULIOWDTLCSUQN-FQEVSTJZSA-N 1 0 383.536 3.831 20 30 GHEDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000731993259 862017182 /nfs/dbraw/zinc/01/71/82/862017182.db2.gz FMUPSMINUAWSFG-HXUWFJFHSA-N 1 0 398.466 3.879 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000126120715 849659025 /nfs/dbraw/zinc/65/90/25/849659025.db2.gz PANMYNHHXVVIET-KNQAVFIVSA-N 1 0 391.515 3.643 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000522533464 862042329 /nfs/dbraw/zinc/04/23/29/862042329.db2.gz AXRGZKQRVMUZMH-KURKYZTESA-N 1 0 395.503 3.826 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(C(=O)OC)cc2)C(=S)NC)cc1 ZINC000278216766 849693019 /nfs/dbraw/zinc/69/30/19/849693019.db2.gz IXNAQQMUUCMOKZ-UHFFFAOYSA-O 1 0 399.536 3.823 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(-c4ccncc4)c3)C2=O)cc1 ZINC000503905587 849752910 /nfs/dbraw/zinc/75/29/10/849752910.db2.gz ZPWAWHBFKWNHMI-QHCPKHFHSA-N 1 0 382.467 3.905 20 30 GHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000604320800 862083323 /nfs/dbraw/zinc/08/33/23/862083323.db2.gz JOJHDLVMJJQLOP-QGZVFWFLSA-N 1 0 379.464 3.599 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000604320784 862083880 /nfs/dbraw/zinc/08/38/80/862083880.db2.gz BKNSSMMQJVIDMC-KRWDZBQOSA-N 1 0 379.464 3.599 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c(OC)c1 ZINC000504493380 850089394 /nfs/dbraw/zinc/08/93/94/850089394.db2.gz QGRWNGQWNHGQFK-LEWJYISDSA-N 1 0 397.515 3.662 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000435111658 850093434 /nfs/dbraw/zinc/09/34/34/850093434.db2.gz QXVQYCQOPZEFCI-QHCPKHFHSA-N 1 0 398.595 3.894 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2nnc3ccc(C(F)(F)F)cn32)c(O)c1 ZINC000027445451 850098284 /nfs/dbraw/zinc/09/82/84/850098284.db2.gz UEISUWNMFBAVKY-AUEPDCJTSA-N 1 0 391.397 3.919 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(OC)c1 ZINC000505606865 850099475 /nfs/dbraw/zinc/09/94/75/850099475.db2.gz GXAGXPGDRUAFLQ-UZUQRXQVSA-N 1 0 382.504 3.610 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(c3nc(Cl)c(C#N)s3)C2)ccn1 ZINC000856534662 881342771 /nfs/dbraw/zinc/34/27/71/881342771.db2.gz ABFVHJUKRMHQMP-OAHLLOKOSA-N 1 0 391.928 3.561 20 30 GHEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000424085064 850206002 /nfs/dbraw/zinc/20/60/02/850206002.db2.gz YXLKZXVPROMBAY-CYBMUJFWSA-N 1 0 399.804 3.813 20 30 GHEDRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000514722071 850213996 /nfs/dbraw/zinc/21/39/96/850213996.db2.gz LCJGFHCLKQNJGQ-PNLZDCPESA-N 1 0 376.504 3.974 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000424125846 850240580 /nfs/dbraw/zinc/24/05/80/850240580.db2.gz OJBUGMCJHXMLIC-DAWZGUTISA-N 1 0 375.586 3.733 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000424138871 850245102 /nfs/dbraw/zinc/24/51/02/850245102.db2.gz NCVHGXBECXMHCJ-VCOUNFBDSA-N 1 0 380.488 3.946 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000424130814 850258245 /nfs/dbraw/zinc/25/82/45/850258245.db2.gz VJNRUQDHZSUGGH-PKOBYXMFSA-N 1 0 383.565 3.743 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)CC1 ZINC000514774550 850273594 /nfs/dbraw/zinc/27/35/94/850273594.db2.gz ZWOXQJHYBGAELY-UHFFFAOYSA-N 1 0 387.524 3.733 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000732188288 862114689 /nfs/dbraw/zinc/11/46/89/862114689.db2.gz HKBYTEWPSVBYJE-IBGZPJMESA-N 1 0 383.565 3.702 20 30 GHEDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000481713455 862115636 /nfs/dbraw/zinc/11/56/36/862115636.db2.gz CXTCZKDACHFHNP-SFTDATJTSA-N 1 0 378.472 3.768 20 30 GHEDRO Cc1cc(C[NH3+])cc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000424440934 850452016 /nfs/dbraw/zinc/45/20/16/850452016.db2.gz VWQPJDQRZNWOBR-UHFFFAOYSA-N 1 0 378.476 3.837 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)CC(C)C ZINC000519024991 850508658 /nfs/dbraw/zinc/50/86/58/850508658.db2.gz WOWJICJIJGTILQ-NRFANRHFSA-N 1 0 399.583 3.536 20 30 GHEDRO C=CCOC(=O)[C@@H](Nc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)[C@@H](C)CC ZINC001167959274 850581257 /nfs/dbraw/zinc/58/12/57/850581257.db2.gz CPRBSNYAEYWXHV-KKSFZXQISA-N 1 0 391.475 3.885 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1C#N ZINC000435559941 850666686 /nfs/dbraw/zinc/66/66/86/850666686.db2.gz RZBMAAJKLAQTHW-FQEVSTJZSA-N 1 0 380.492 3.640 20 30 GHEDRO C=CCC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000424737868 850673339 /nfs/dbraw/zinc/67/33/39/850673339.db2.gz OHXKJIJMEBWEON-YADHBBJMSA-N 1 0 382.548 3.872 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000909294798 850677009 /nfs/dbraw/zinc/67/70/09/850677009.db2.gz XIJLJQWHGPANJJ-AEFFLSMTSA-N 1 0 384.553 3.532 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)CC[N@@H+]1C ZINC000329707338 862164267 /nfs/dbraw/zinc/16/42/67/862164267.db2.gz LNSAPGFYHIPBQD-DFYYWFRZSA-N 1 0 386.471 3.528 20 30 GHEDRO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000505291164 850792293 /nfs/dbraw/zinc/79/22/93/850792293.db2.gz VHDQNNJZWKNWJR-OAQYLSRUSA-N 1 0 379.479 3.756 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425007056 850858342 /nfs/dbraw/zinc/85/83/42/850858342.db2.gz MTGSHOSEOHLMEG-XZOQPEGZSA-N 1 0 387.527 3.860 20 30 GHEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000434283357 850943038 /nfs/dbraw/zinc/94/30/38/850943038.db2.gz PCCNMYZNPPSHFV-HXUWFJFHSA-N 1 0 379.460 3.741 20 30 GHEDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000487868865 850955563 /nfs/dbraw/zinc/95/55/63/850955563.db2.gz JKRXLMOPTCZDFQ-UHFFFAOYSA-N 1 0 391.515 3.542 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487936107 851005752 /nfs/dbraw/zinc/00/57/52/851005752.db2.gz PRAWZIVMCWDIHG-STQMWFEESA-N 1 0 379.302 3.563 20 30 GHEDRO CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000435945448 851032310 /nfs/dbraw/zinc/03/23/10/851032310.db2.gz VEDMZWXRILSUNT-XLIONFOSSA-N 1 0 394.519 3.864 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000614516842 851137466 /nfs/dbraw/zinc/13/74/66/851137466.db2.gz WGJFXNCDXYKQJJ-UCNVEGJOSA-N 1 0 377.463 3.728 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000456003498 862221789 /nfs/dbraw/zinc/22/17/89/862221789.db2.gz NLLBBENTXDAMGM-SFHVURJKSA-N 1 0 392.503 3.888 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000604482223 862223682 /nfs/dbraw/zinc/22/36/82/862223682.db2.gz LTLQJAMCTBPNQJ-UHFFFAOYSA-N 1 0 392.434 3.556 20 30 GHEDRO CC(C)SCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000514126673 851267475 /nfs/dbraw/zinc/26/74/75/851267475.db2.gz KWNNIAUCLSOZGK-QGZVFWFLSA-N 1 0 382.371 3.773 20 30 GHEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000604483163 862224296 /nfs/dbraw/zinc/22/42/96/862224296.db2.gz BKCCKMKBEGMVEL-SFHVURJKSA-N 1 0 388.515 3.802 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000668837686 851331093 /nfs/dbraw/zinc/33/10/93/851331093.db2.gz KQYOEMVSJMCRSA-DWLFOUALSA-N 1 0 397.563 3.579 20 30 GHEDRO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O ZINC000329728198 862242178 /nfs/dbraw/zinc/24/21/78/862242178.db2.gz HEOJTIKNULWKHN-HXUWFJFHSA-N 1 0 396.535 3.895 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000436297350 851431903 /nfs/dbraw/zinc/43/19/03/851431903.db2.gz XJYXIHNYBLGITI-GLJUWKHASA-N 1 0 386.414 3.873 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)C1 ZINC000329730643 862273782 /nfs/dbraw/zinc/27/37/82/862273782.db2.gz GHACDURHZBGDQL-QAPCUYQASA-N 1 0 392.931 3.545 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2coc3c2cc(Br)cc3C)CC1 ZINC000473724649 851775521 /nfs/dbraw/zinc/77/55/21/851775521.db2.gz MQGITSBZALWOOM-UHFFFAOYSA-N 1 0 377.282 3.884 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1F ZINC000133878545 851818935 /nfs/dbraw/zinc/81/89/35/851818935.db2.gz CDPLBAAVISIGDL-MRXNPFEDSA-N 1 0 398.457 3.815 20 30 GHEDRO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000329750652 862292490 /nfs/dbraw/zinc/29/24/90/862292490.db2.gz IHDNAQPLZQZRFR-HIGJEIRPSA-N 1 0 399.539 3.817 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1)C(=O)OC(C)(C)C ZINC000729466305 851884553 /nfs/dbraw/zinc/88/45/53/851884553.db2.gz NDFUJYAMJMYSOA-SFHVURJKSA-N 1 0 395.507 3.568 20 30 GHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1-c1nnnn1C1CC1 ZINC000329757772 862295872 /nfs/dbraw/zinc/29/58/72/862295872.db2.gz NDMUOYXARBWAJN-LJQANCHMSA-N 1 0 380.496 3.978 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000437987258 851922052 /nfs/dbraw/zinc/92/20/52/851922052.db2.gz OZQJTJCECVUORC-FIXSFTCYSA-N 1 0 397.563 3.665 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000438002156 851937379 /nfs/dbraw/zinc/93/73/79/851937379.db2.gz SUEOOCSJQCWEGD-RLLQIKCJSA-N 1 0 391.943 3.757 20 30 GHEDRO CC(C)(Nc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000911921050 851953162 /nfs/dbraw/zinc/95/31/62/851953162.db2.gz DVDKZHHNVQMUNI-UHFFFAOYSA-N 1 0 376.504 3.530 20 30 GHEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329778221 862315257 /nfs/dbraw/zinc/31/52/57/862315257.db2.gz KZKGASMSXKTLHB-VQIMIIECSA-N 1 0 393.487 3.571 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000489184943 852099484 /nfs/dbraw/zinc/09/94/84/852099484.db2.gz MJPNGLAWALVNMP-UGKGYDQZSA-N 1 0 375.472 3.552 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]CCCCCOc3ccccc3)C2=O)cc1 ZINC000437790333 852205121 /nfs/dbraw/zinc/20/51/21/852205121.db2.gz ZDYKFQHADHXJEX-QFIPXVFZSA-N 1 0 377.488 3.893 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000489313940 852214465 /nfs/dbraw/zinc/21/44/65/852214465.db2.gz NXAHQNKCLBLFJG-SPEDKVCISA-N 1 0 376.504 3.829 20 30 GHEDRO Cc1cccn2cc(CCNC(NCCc3cccs3)=[NH+]C(C)(C)C)nc12 ZINC000912505366 852312154 /nfs/dbraw/zinc/31/21/54/852312154.db2.gz CRQYMWRSDJBKKH-UHFFFAOYSA-N 1 0 383.565 3.823 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000517892189 852584467 /nfs/dbraw/zinc/58/44/67/852584467.db2.gz KMPNULBRLRBOCW-VQIMIIECSA-N 1 0 392.459 3.575 20 30 GHEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329854864 862376501 /nfs/dbraw/zinc/37/65/01/862376501.db2.gz SXBQYHFOGCLYLP-CRAIPNDOSA-N 1 0 379.460 3.529 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cc2ccccc21 ZINC000518017087 852737097 /nfs/dbraw/zinc/73/70/97/852737097.db2.gz YZCXICDUWJSFAM-UHFFFAOYSA-N 1 0 388.309 3.910 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CCC)Cc1ccccc1F ZINC000669032484 852765249 /nfs/dbraw/zinc/76/52/49/852765249.db2.gz LUYXGIYOMUYKMM-QUCCMNQESA-N 1 0 399.514 3.556 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1CC1CCCCC1 ZINC000669032102 852768943 /nfs/dbraw/zinc/76/89/43/852768943.db2.gz AECRCYUGLMXSOL-HBMCJLEFSA-N 1 0 399.583 3.939 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC[C@H]1CC1CCC1 ZINC000669032106 852769025 /nfs/dbraw/zinc/76/90/25/852769025.db2.gz AGMKMIYVDCEBQF-ZCNNSNEGSA-N 1 0 385.556 3.549 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC1CC1)C1CCCCC1 ZINC000669033054 852789750 /nfs/dbraw/zinc/78/97/50/852789750.db2.gz FJCNZZQRRUWAKE-UXHICEINSA-N 1 0 385.556 3.549 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000437144982 852792355 /nfs/dbraw/zinc/79/23/55/852792355.db2.gz SGKREGOGFPXWBL-UHFFFAOYSA-N 1 0 399.441 3.896 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000912859134 852812335 /nfs/dbraw/zinc/81/23/35/852812335.db2.gz BOZBDBCRSJECAE-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO COc1ccc2[nH]cc(C3=CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC3)c2c1 ZINC000509553031 852905882 /nfs/dbraw/zinc/90/58/82/852905882.db2.gz AYRXQEFOGABVGK-HJPURHCSSA-N 1 0 394.519 3.709 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@@H]([NH3+])C2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000415226282 852967306 /nfs/dbraw/zinc/96/73/06/852967306.db2.gz VPLMGTIILZBPGJ-CQSZACIVSA-N 1 0 390.365 3.934 20 30 GHEDRO Cc1cc(C#N)nc(N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000516848254 853083183 /nfs/dbraw/zinc/08/31/83/853083183.db2.gz LNOPXQOMTXSPPK-NRFANRHFSA-N 1 0 375.520 3.784 20 30 GHEDRO CN1CCN([C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)c2cccs2)CC1 ZINC000518249376 853133726 /nfs/dbraw/zinc/13/37/26/853133726.db2.gz FEBWCKUNHVNVLO-NRFANRHFSA-N 1 0 398.576 3.509 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCNc2ccc(-c3ccccc3)nn2)CC1 ZINC000507651025 853139143 /nfs/dbraw/zinc/13/91/43/853139143.db2.gz DAVGHGDKGUJNJB-UHFFFAOYSA-N 1 0 397.526 3.971 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000111408918 853158826 /nfs/dbraw/zinc/15/88/26/853158826.db2.gz SHHIEOCBSVIEHB-UHFFFAOYSA-N 1 0 378.398 3.797 20 30 GHEDRO Cn1cc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000507698221 853191459 /nfs/dbraw/zinc/19/14/59/853191459.db2.gz NFFWELNVPNBJNT-UHFFFAOYSA-N 1 0 380.883 3.646 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000517015060 853256550 /nfs/dbraw/zinc/25/65/50/853256550.db2.gz WHQUYJQRNCTERE-FQEVSTJZSA-N 1 0 381.524 3.840 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000437655283 853382806 /nfs/dbraw/zinc/38/28/06/853382806.db2.gz XVNOQJRROJDTIK-CBQOVEMMSA-N 1 0 385.552 3.699 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(CC#N)cc1 ZINC000519714238 853421012 /nfs/dbraw/zinc/42/10/12/853421012.db2.gz MDZZJWAXKVSKLJ-UHFFFAOYSA-N 1 0 391.519 3.596 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)CC1 ZINC000518501456 853435036 /nfs/dbraw/zinc/43/50/36/853435036.db2.gz ALHACGAUXFUBEX-UHFFFAOYSA-N 1 0 390.325 3.548 20 30 GHEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000517231787 853522869 /nfs/dbraw/zinc/52/28/69/853522869.db2.gz OSGBGYDUCOIPRQ-AWEZNQCLSA-N 1 0 396.434 3.744 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000586814084 853541363 /nfs/dbraw/zinc/54/13/63/853541363.db2.gz GUBGYULFGDUKLF-NHCUHLMSSA-N 1 0 395.453 3.819 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC[N@@H+]1C ZINC000329985114 862479817 /nfs/dbraw/zinc/47/98/17/862479817.db2.gz QWSLCTARJJANLT-IUODEOHRSA-N 1 0 387.459 3.713 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCOc2c(OC)cccc21)C(C)C ZINC000586983009 853614634 /nfs/dbraw/zinc/61/46/34/853614634.db2.gz VDXIIRRGDJOZMT-RTBURBONSA-N 1 0 387.524 3.517 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)NC(C)C)[n+]1ccc2c(c1)CCCC2 ZINC000044557653 853657509 /nfs/dbraw/zinc/65/75/09/853657509.db2.gz BFGURYVBXRWILX-UHFFFAOYSA-O 1 0 383.537 3.798 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCCOCc1ccccc1 ZINC000439475569 853687853 /nfs/dbraw/zinc/68/78/53/853687853.db2.gz XKUVRIRPSXEGIK-MRXNPFEDSA-N 1 0 397.544 3.974 20 30 GHEDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000437945916 853712548 /nfs/dbraw/zinc/71/25/48/853712548.db2.gz GVIYKJPFTYKDOL-UHFFFAOYSA-N 1 0 384.455 3.738 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc(OC)c1O ZINC000604766623 862504481 /nfs/dbraw/zinc/50/44/81/862504481.db2.gz YADNDAYFZYGDBE-XLIONFOSSA-N 1 0 395.421 3.753 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000330039916 862525518 /nfs/dbraw/zinc/52/55/18/862525518.db2.gz BZIWDHCFDXZOOS-HLIUYOAVSA-N 1 0 393.890 3.805 20 30 GHEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588235348 854227389 /nfs/dbraw/zinc/22/73/89/854227389.db2.gz BYLJCYHMFRTTKQ-DFNIBXOVSA-N 1 0 391.475 3.834 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3cccc(F)c3F)CC2)CC1 ZINC000572216146 854442522 /nfs/dbraw/zinc/44/25/22/854442522.db2.gz OBMYBNOMHJLUBI-UHFFFAOYSA-N 1 0 377.479 3.894 20 30 GHEDRO Cn1c(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)nc2cccc(Cl)c21 ZINC000330098116 862572380 /nfs/dbraw/zinc/57/23/80/862572380.db2.gz BNDMHJMHJNFEKO-UHFFFAOYSA-N 1 0 389.931 3.591 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000669305003 854536609 /nfs/dbraw/zinc/53/66/09/854536609.db2.gz WRXQPUICJWKRPB-HXUWFJFHSA-N 1 0 390.535 3.603 20 30 GHEDRO CCOc1cc2c(cc1NC(=O)N1CCC([NH+]3CCCCC3)CC1)O[C@@H](C)C2 ZINC000328785002 854556076 /nfs/dbraw/zinc/55/60/76/854556076.db2.gz IMYTYDKMWPYBOX-INIZCTEOSA-N 1 0 387.524 3.905 20 30 GHEDRO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000328790727 854557707 /nfs/dbraw/zinc/55/77/07/854557707.db2.gz QMMSAPACELMEMD-IFMALSPDSA-N 1 0 399.579 3.905 20 30 GHEDRO CC(C)[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1nc(C2CC2)no1 ZINC000328857055 854580112 /nfs/dbraw/zinc/58/01/12/854580112.db2.gz DCVYVXVRSRIGRD-KRWDZBQOSA-N 1 0 375.517 3.508 20 30 GHEDRO CN1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000328876862 854594322 /nfs/dbraw/zinc/59/43/22/854594322.db2.gz IEPATQCPOXTDAT-PKOBYXMFSA-N 1 0 394.466 3.503 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328938800 854608879 /nfs/dbraw/zinc/60/88/79/854608879.db2.gz RQOOZFULPPQQGM-CABCVRRESA-N 1 0 376.407 3.598 20 30 GHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)N(C)CCOCc1ccc(C#N)cc1 ZINC000588980443 854625601 /nfs/dbraw/zinc/62/56/01/854625601.db2.gz FCCHTPAVOZKIEN-QGZVFWFLSA-N 1 0 388.471 3.582 20 30 GHEDRO O=C(CCc1ccnc2ccccc12)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000328964426 854634484 /nfs/dbraw/zinc/63/44/84/854634484.db2.gz RTQZCSWTHSIJMM-YADHBBJMSA-N 1 0 381.520 3.892 20 30 GHEDRO CCc1cc(N2CCC[C@H](/[NH+]=C/c3ccc(N(CC)CC)cc3O)C2)ncn1 ZINC000732913412 862587021 /nfs/dbraw/zinc/58/70/21/862587021.db2.gz URZKUKFGOUMSRM-WQZUMXOESA-N 1 0 381.524 3.679 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000111395234 854747671 /nfs/dbraw/zinc/74/76/71/854747671.db2.gz KMRBRLHRGJBBBH-UHFFFAOYSA-N 1 0 378.432 3.850 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C#N)n1)c1ccc(C(F)(F)F)cc1 ZINC000589335185 854796470 /nfs/dbraw/zinc/79/64/70/854796470.db2.gz RJDTVUWOLAHODS-SFHVURJKSA-N 1 0 390.409 3.785 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000126023098 854803629 /nfs/dbraw/zinc/80/36/29/854803629.db2.gz AAAPQCJJGJCWMY-UHFFFAOYSA-N 1 0 394.519 3.978 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CCSC1 ZINC000331111940 854808287 /nfs/dbraw/zinc/80/82/87/854808287.db2.gz ITFSRBDXABIACH-LJQANCHMSA-N 1 0 381.590 3.699 20 30 GHEDRO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000482013911 862609958 /nfs/dbraw/zinc/60/99/58/862609958.db2.gz CVRLETMORGYCMO-GGAORHGYSA-N 1 0 392.499 3.968 20 30 GHEDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000589495709 854908051 /nfs/dbraw/zinc/90/80/51/854908051.db2.gz CGYPPWLZVIJURQ-UHFFFAOYSA-N 1 0 381.432 3.911 20 30 GHEDRO C=CC[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1cccc([N+](=O)[O-])c1 ZINC000188981178 854982606 /nfs/dbraw/zinc/98/26/06/854982606.db2.gz IUNFJDBYMNOAFS-UHFFFAOYSA-N 1 0 379.460 3.558 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000330163966 862627337 /nfs/dbraw/zinc/62/73/37/862627337.db2.gz VPQNZUBYOBLDOI-IBGZPJMESA-N 1 0 375.488 3.950 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000176500894 862629739 /nfs/dbraw/zinc/62/97/39/862629739.db2.gz VLKDXIWMNRLCMS-IFMALSPDSA-N 1 0 385.552 3.802 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000765811446 855020520 /nfs/dbraw/zinc/02/05/20/855020520.db2.gz YAYRLCLAOCAUKO-DHIUTWEWSA-N 1 0 398.934 3.904 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](C(C)(C)C)C1 ZINC000669334254 855028224 /nfs/dbraw/zinc/02/82/24/855028224.db2.gz ATJFDKONPRNUCV-QRVBRYPASA-N 1 0 387.572 3.652 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000273038863 855041591 /nfs/dbraw/zinc/04/15/91/855041591.db2.gz VWSXVKDYRASFRG-QGZVFWFLSA-N 1 0 375.472 3.517 20 30 GHEDRO C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000273038859 855042720 /nfs/dbraw/zinc/04/27/20/855042720.db2.gz VWSXVKDYRASFRG-KRWDZBQOSA-N 1 0 375.472 3.517 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1Cl ZINC000589635941 855083253 /nfs/dbraw/zinc/08/32/53/855083253.db2.gz VGGXOIYJLZEUJK-HXUWFJFHSA-N 1 0 386.923 3.895 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(OCc3ccccc3)cc2)CC1 ZINC000106039834 855171847 /nfs/dbraw/zinc/17/18/47/855171847.db2.gz ZIPDCYULACQEAP-UHFFFAOYSA-N 1 0 394.515 3.801 20 30 GHEDRO COc1cccc2c1CCN(CC(=O)Nc1ccc3c(c1)OCCCO3)CC2 ZINC000330193150 862650996 /nfs/dbraw/zinc/65/09/96/862650996.db2.gz OCOXKWGSNIYSOI-UHFFFAOYSA-N 1 0 382.460 3.545 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000106340922 855220932 /nfs/dbraw/zinc/22/09/32/855220932.db2.gz BJDRPHYVJFXTOM-LJQANCHMSA-N 1 0 381.524 3.868 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000590190260 855314625 /nfs/dbraw/zinc/31/46/25/855314625.db2.gz GUISHVDOXBFISN-CABCVRRESA-N 1 0 377.423 3.561 20 30 GHEDRO Cc1oc2nc(CN3CCC[C@@H](C(=O)Nc4cccc(C)n4)C3)nc(N)c2c1C ZINC000330214087 862666224 /nfs/dbraw/zinc/66/62/24/862666224.db2.gz LKGAIQCAMVUIDH-OAHLLOKOSA-N 1 0 394.479 3.625 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000056016033 855454567 /nfs/dbraw/zinc/45/45/67/855454567.db2.gz IXTPSKWVFWBWHD-UHFFFAOYSA-N 1 0 380.879 3.897 20 30 GHEDRO C[NH+]1CC2(C1)CCN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)C2 ZINC000590539619 855469192 /nfs/dbraw/zinc/46/91/92/855469192.db2.gz WKPBHZHPPXIFLM-UHFFFAOYSA-N 1 0 381.863 3.782 20 30 GHEDRO CC1(C)CN(C(=O)c2cccc(C#N)n2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000590768488 855569058 /nfs/dbraw/zinc/56/90/58/855569058.db2.gz UDNJGAQYFHGBTO-QFIPXVFZSA-N 1 0 388.515 3.716 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCCN3CCC(=O)Nc3sccc3C#N)nc2c1 ZINC000590741002 855575279 /nfs/dbraw/zinc/57/52/79/855575279.db2.gz JCDSXGBGPHSCKY-KRWDZBQOSA-N 1 0 379.489 3.970 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000330252416 862696261 /nfs/dbraw/zinc/69/62/61/862696261.db2.gz ABEMCPQBBJIUOQ-MSOLQXFVSA-N 1 0 375.561 3.855 20 30 GHEDRO C[N@H+](CCCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1CC1 ZINC000590804759 855597156 /nfs/dbraw/zinc/59/71/56/855597156.db2.gz YQTMAHHDQGYLPC-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCNc3snc(Cl)c3C#N)CC2)c1 ZINC000301102778 855620411 /nfs/dbraw/zinc/62/04/11/855620411.db2.gz MGBHXMAMVSGUAW-UHFFFAOYSA-N 1 0 375.929 3.601 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400576 855634981 /nfs/dbraw/zinc/63/49/81/855634981.db2.gz VUAFCHBPSKDPKS-UZLBHIALSA-N 1 0 378.944 3.899 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000056745291 855644799 /nfs/dbraw/zinc/64/47/99/855644799.db2.gz BWDUCFHQWRJGLA-UHFFFAOYSA-N 1 0 376.460 3.910 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000590923147 855655258 /nfs/dbraw/zinc/65/52/58/855655258.db2.gz NZCSXGURYCTZBN-LJQANCHMSA-N 1 0 386.496 3.521 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])cc2C#N)CCOCC1)c1ccccc1 ZINC000301294189 855657151 /nfs/dbraw/zinc/65/71/51/855657151.db2.gz RLTSMWQRXIBHQT-INIZCTEOSA-N 1 0 380.448 3.778 20 30 GHEDRO N#Cc1ccc(Cl)cc1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301290944 855658018 /nfs/dbraw/zinc/65/80/18/855658018.db2.gz UFOKYWJZJULYEV-GOSISDBHSA-N 1 0 395.938 3.645 20 30 GHEDRO Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n2c3ccccc3nc2c1C#N ZINC000301308997 855659669 /nfs/dbraw/zinc/65/96/69/855659669.db2.gz XFQRYJWJDZXVBM-SFHVURJKSA-N 1 0 396.498 3.946 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000465716823 855669113 /nfs/dbraw/zinc/66/91/13/855669113.db2.gz GSPFRALMJOXUJJ-VABKMULXSA-N 1 0 390.531 3.641 20 30 GHEDRO N#Cc1cc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)ccn1 ZINC000590971424 855681375 /nfs/dbraw/zinc/68/13/75/855681375.db2.gz PUUFYYRQDAWHAN-BJKOFHAPSA-N 1 0 386.474 3.850 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4cc[nH]c(=O)c4C3)sc2C1 ZINC000330270753 862709842 /nfs/dbraw/zinc/70/98/42/862709842.db2.gz UTMULJQNSWOFKS-CYBMUJFWSA-N 1 0 396.516 3.882 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000591051141 855737237 /nfs/dbraw/zinc/73/72/37/855737237.db2.gz PBBSPBSMVZUCFD-QFIPXVFZSA-N 1 0 375.472 3.741 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC4(CCOC4)CC3)sc2C1 ZINC000591022114 855742721 /nfs/dbraw/zinc/74/27/21/855742721.db2.gz QMFLBGONQZVLMQ-HNNXBMFYSA-N 1 0 387.549 3.576 20 30 GHEDRO N#Cc1c(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc2ccccn12 ZINC000302075886 855811762 /nfs/dbraw/zinc/81/17/62/855811762.db2.gz HCGCYQPCEKQAIV-INIZCTEOSA-N 1 0 385.393 3.911 20 30 GHEDRO COc1ccccc1[C@H](CNc1nc2ccccn2c1C#N)[NH+]1CCCCC1 ZINC000302109032 855817074 /nfs/dbraw/zinc/81/70/74/855817074.db2.gz SUUFENPSNRRSHZ-IBGZPJMESA-N 1 0 375.476 3.854 20 30 GHEDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000591276901 855879396 /nfs/dbraw/zinc/87/93/96/855879396.db2.gz CVIXBRGOKQQWCQ-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000061944246 862737535 /nfs/dbraw/zinc/73/75/35/862737535.db2.gz QEEZAPLFJPSOER-XMSQKQJNSA-N 1 0 378.520 3.872 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(F)cc3)CCC2)c(OC)c1 ZINC000591375545 855957210 /nfs/dbraw/zinc/95/72/10/855957210.db2.gz HHQIBCKZDUEVCT-HXUWFJFHSA-N 1 0 385.479 3.972 20 30 GHEDRO C=CCN(CCOC)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001128643435 855988158 /nfs/dbraw/zinc/98/81/58/855988158.db2.gz VXGPOFFIFHHZPL-BJKOFHAPSA-N 1 0 392.543 3.872 20 30 GHEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508898715 856074159 /nfs/dbraw/zinc/07/41/59/856074159.db2.gz MFTXJQUOYQHMPJ-VGOFRKELSA-N 1 0 376.504 3.924 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC000520706747 856082396 /nfs/dbraw/zinc/08/23/96/856082396.db2.gz JLNXWCNGVIXJBT-MRXNPFEDSA-N 1 0 384.549 3.836 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000171307150 856083353 /nfs/dbraw/zinc/08/33/53/856083353.db2.gz LEOGXEHQYYQJDC-RTBURBONSA-N 1 0 382.552 3.990 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000303583252 856109376 /nfs/dbraw/zinc/10/93/76/856109376.db2.gz KVGUPMOMDUCJDP-SFHVURJKSA-N 1 0 389.377 3.694 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(CC#N)CC3)cc2)C1 ZINC000542846538 856115603 /nfs/dbraw/zinc/11/56/03/856115603.db2.gz MJZBNQJTLDHBOC-OALUTQOASA-N 1 0 382.552 4.000 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000045900386 856126334 /nfs/dbraw/zinc/12/63/34/856126334.db2.gz DPLDSRAFSAXMIE-KRWDZBQOSA-N 1 0 381.476 3.685 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000441741335 856160756 /nfs/dbraw/zinc/16/07/56/856160756.db2.gz OQRIIIQUAWRQSP-FZKQIMNGSA-N 1 0 389.377 3.913 20 30 GHEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1csc(C#N)c1 ZINC000921738943 856178882 /nfs/dbraw/zinc/17/88/82/856178882.db2.gz ISJKOCPYANEMQQ-UHFFFAOYSA-N 1 0 378.295 3.809 20 30 GHEDRO CC#CCC[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000482168136 862769074 /nfs/dbraw/zinc/76/90/74/862769074.db2.gz YSTDPCJBZGLGGP-UHFFFAOYSA-N 1 0 386.879 3.869 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000109093345 856227176 /nfs/dbraw/zinc/22/71/76/856227176.db2.gz UBPMXIFWSKMZMT-FQEVSTJZSA-N 1 0 379.460 3.741 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000591763752 856232029 /nfs/dbraw/zinc/23/20/29/856232029.db2.gz HLAZPDBEYGNXCM-MAUKXSAKSA-N 1 0 377.271 3.882 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000171725986 856244222 /nfs/dbraw/zinc/24/42/22/856244222.db2.gz WXMVUDDGUKESKS-UHFFFAOYSA-N 1 0 398.551 3.655 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CC1 ZINC000171723306 856244491 /nfs/dbraw/zinc/24/44/91/856244491.db2.gz CRBYYXFFWJKEJU-UHFFFAOYSA-N 1 0 398.507 3.915 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485263218 856279377 /nfs/dbraw/zinc/27/93/77/856279377.db2.gz WBPJMMNRJNAOQE-VGOFRKELSA-N 1 0 377.488 3.673 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508901929 856306345 /nfs/dbraw/zinc/30/63/45/856306345.db2.gz IDPNQNCIIQZQFX-UHFFFAOYSA-N 1 0 388.519 3.744 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000172185592 856365207 /nfs/dbraw/zinc/36/52/07/856365207.db2.gz ZJXXXKVEXCZLSD-GOSISDBHSA-N 1 0 379.957 3.790 20 30 GHEDRO N#Cc1ccccc1NC(=S)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000905546710 856379121 /nfs/dbraw/zinc/37/91/21/856379121.db2.gz VEPIOQPRJIRQOO-IBGZPJMESA-N 1 0 377.517 3.652 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(C)C ZINC000046018414 856381933 /nfs/dbraw/zinc/38/19/33/856381933.db2.gz SJCXNDJFYRBDFO-CRAIPNDOSA-N 1 0 387.549 3.548 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(C)C ZINC000046018410 856382177 /nfs/dbraw/zinc/38/21/77/856382177.db2.gz SJCXNDJFYRBDFO-QAPCUYQASA-N 1 0 387.549 3.548 20 30 GHEDRO Cc1cc(F)cc2[nH]c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc21 ZINC000172283729 856389777 /nfs/dbraw/zinc/38/97/77/856389777.db2.gz IXAFXRLHQPZSIE-UHFFFAOYSA-N 1 0 378.451 3.691 20 30 GHEDRO COc1ccc2ncc(C#N)c(NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)c2c1 ZINC000591924268 856402381 /nfs/dbraw/zinc/40/23/81/856402381.db2.gz FJVLSKYHOBYLEB-INIZCTEOSA-N 1 0 387.487 3.569 20 30 GHEDRO N#Cc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000061011682 856417102 /nfs/dbraw/zinc/41/71/02/856417102.db2.gz LRTJAUMWNSSTTM-UHFFFAOYSA-N 1 0 376.504 3.934 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000760913280 856417835 /nfs/dbraw/zinc/41/78/35/856417835.db2.gz OPSWEBHYEXSVLZ-UHFFFAOYSA-N 1 0 393.491 3.622 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000624836881 856448258 /nfs/dbraw/zinc/44/82/58/856448258.db2.gz LXZZWRLTOKQJIQ-MTQWCTHYSA-N 1 0 387.572 3.795 20 30 GHEDRO CCC[NH+]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000172338077 856451927 /nfs/dbraw/zinc/45/19/27/856451927.db2.gz GZSJYTXPJVZOIT-UHFFFAOYSA-N 1 0 392.503 3.891 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000046056279 856457268 /nfs/dbraw/zinc/45/72/68/856457268.db2.gz QHYYNXVVRUGGDC-UHFFFAOYSA-N 1 0 381.430 3.621 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000046105318 856490124 /nfs/dbraw/zinc/49/01/24/856490124.db2.gz WSWXBKWBGBYQAE-SFHVURJKSA-N 1 0 394.519 3.839 20 30 GHEDRO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086917 856514762 /nfs/dbraw/zinc/51/47/62/856514762.db2.gz IFKSJYPDRULDAK-NRFANRHFSA-N 1 0 393.531 3.634 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000520782329 856515251 /nfs/dbraw/zinc/51/52/51/856515251.db2.gz IGFZINXQPQOWBN-HZPDHXFCSA-N 1 0 381.442 3.619 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(CC#N)cc1 ZINC000592025960 856627209 /nfs/dbraw/zinc/62/72/09/856627209.db2.gz JAAYJWBUANYSFH-HSZRJFAPSA-N 1 0 390.531 3.806 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000172849724 856636165 /nfs/dbraw/zinc/63/61/65/856636165.db2.gz ZFLHPESYEZDRIP-RBUKOAKNSA-N 1 0 383.442 3.530 20 30 GHEDRO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000760929188 856675185 /nfs/dbraw/zinc/67/51/85/856675185.db2.gz SVRQRDGLIKLHAR-LJQANCHMSA-N 1 0 391.515 3.740 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183539 856683083 /nfs/dbraw/zinc/68/30/83/856683083.db2.gz JQIKNVPISBEVOM-SJORKVTESA-N 1 0 387.549 3.768 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183535 856683438 /nfs/dbraw/zinc/68/34/38/856683438.db2.gz JQIKNVPISBEVOM-DLBZAZTESA-N 1 0 387.549 3.768 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000674706307 856732417 /nfs/dbraw/zinc/73/24/17/856732417.db2.gz DMUZMAUQNUWUPY-IBGZPJMESA-N 1 0 385.533 3.626 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](CO)c2ccccc2C)c1C#N ZINC000542907482 856747537 /nfs/dbraw/zinc/74/75/37/856747537.db2.gz GRRQMDNTJVJXNR-NRFANRHFSA-N 1 0 394.519 3.662 20 30 GHEDRO CNC(=O)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000592379518 856824272 /nfs/dbraw/zinc/82/42/72/856824272.db2.gz QFFPFIQFVWXBGA-DMKPSLHHSA-N 1 0 381.442 3.672 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccc(C#N)c1 ZINC000063300908 856928445 /nfs/dbraw/zinc/92/84/45/856928445.db2.gz MFKWLKYVRIKLIV-UHFFFAOYSA-N 1 0 378.432 3.792 20 30 GHEDRO N#Cc1sc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nc1Cl ZINC000888406489 856949714 /nfs/dbraw/zinc/94/97/14/856949714.db2.gz BVGBKPBLCVKJJW-UHFFFAOYSA-N 1 0 375.885 3.586 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281125904 862857655 /nfs/dbraw/zinc/85/76/55/862857655.db2.gz XZBBUMNMMQEXLY-QXAKKESOSA-N 1 0 375.900 3.556 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181407864 862866976 /nfs/dbraw/zinc/86/69/76/862866976.db2.gz UBDGNGWKFIDPEU-XMSQKQJNSA-N 1 0 394.515 3.632 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000921913100 857085409 /nfs/dbraw/zinc/08/54/09/857085409.db2.gz BJMJZYKSQJWGJU-HNNXBMFYSA-N 1 0 381.339 3.855 20 30 GHEDRO CC[C@@H](Nc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593884127 862877818 /nfs/dbraw/zinc/87/78/18/862877818.db2.gz TUBHIFXEBLBIEB-JOCHJYFZSA-N 1 0 376.504 3.530 20 30 GHEDRO CC(C)(C#N)c1ccccc1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000593067786 857183568 /nfs/dbraw/zinc/18/35/68/857183568.db2.gz MCZMDYMWMHXBNJ-RPWUZVMVSA-N 1 0 389.543 3.963 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000766109876 857185539 /nfs/dbraw/zinc/18/55/39/857185539.db2.gz UAZIJCKSJBXIRB-AUUYWEPGSA-N 1 0 387.863 3.507 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000593055663 857204608 /nfs/dbraw/zinc/20/46/08/857204608.db2.gz YJIREHYPRXKBPJ-UHFFFAOYSA-N 1 0 378.373 3.825 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3csc4c3CCCC4)CC2)c1 ZINC000593884512 862889237 /nfs/dbraw/zinc/88/92/37/862889237.db2.gz XEUVOGXLKQXUEC-UHFFFAOYSA-N 1 0 379.529 3.893 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000246324736 857348933 /nfs/dbraw/zinc/34/89/33/857348933.db2.gz DGZUZKNRJUIBEQ-WZONZLPQSA-N 1 0 391.515 3.794 20 30 GHEDRO CC(C)[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl ZINC001168757549 857379406 /nfs/dbraw/zinc/37/94/06/857379406.db2.gz GWHAEMJSDUWRMG-FQEVSTJZSA-N 1 0 380.875 3.926 20 30 GHEDRO Cc1cccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000520918494 857403717 /nfs/dbraw/zinc/40/37/17/857403717.db2.gz PUNXBGZXIXLZCS-AWEZNQCLSA-N 1 0 382.533 3.909 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000442094844 857502803 /nfs/dbraw/zinc/50/28/03/857502803.db2.gz YHWFCGMSPIZEON-AWEZNQCLSA-N 1 0 398.410 3.943 20 30 GHEDRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCCC#N ZINC001129029354 857519389 /nfs/dbraw/zinc/51/93/89/857519389.db2.gz OBLFRQSIZAJKAW-AWEZNQCLSA-N 1 0 393.329 3.612 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000521103459 857602718 /nfs/dbraw/zinc/60/27/18/857602718.db2.gz QQJWPDVHKXIYOS-UHFFFAOYSA-N 1 0 375.472 3.713 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593535806 857616171 /nfs/dbraw/zinc/61/61/71/857616171.db2.gz PUQWJEHNUZVOPQ-FXAWDEMLSA-N 1 0 397.544 3.602 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593530696 857633303 /nfs/dbraw/zinc/63/33/03/857633303.db2.gz KVIBFPUEYGYRES-QZTJIDSGSA-N 1 0 391.581 3.524 20 30 GHEDRO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1Cl ZINC000521133311 857644266 /nfs/dbraw/zinc/64/42/66/857644266.db2.gz KEQPZKJQBWUYON-UXHICEINSA-N 1 0 379.891 3.806 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000593690674 857675556 /nfs/dbraw/zinc/67/55/56/857675556.db2.gz MSLDSEAXPGBMTN-PMACEKPBSA-N 1 0 388.471 3.866 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000113933909 857795394 /nfs/dbraw/zinc/79/53/94/857795394.db2.gz FGQKSBJIAKFXAM-IAGOWNOFSA-N 1 0 388.943 3.737 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)CC3)n2C2CC2)c1 ZINC000574460524 857900688 /nfs/dbraw/zinc/90/06/88/857900688.db2.gz SQXHIKKBXYENHP-LJQANCHMSA-N 1 0 376.508 3.606 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000466035133 857933266 /nfs/dbraw/zinc/93/32/66/857933266.db2.gz CAWZLFYXWHLDSK-UWJYYQICSA-N 1 0 392.503 3.936 20 30 GHEDRO C=CCN1C(=O)N(CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000761049941 858004014 /nfs/dbraw/zinc/00/40/14/858004014.db2.gz JPGJTMDAVZRLNA-SJBKTWHCSA-N 1 0 397.563 3.806 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000499649976 858066256 /nfs/dbraw/zinc/06/62/56/858066256.db2.gz ZMIVUMINZPCEMY-SJORKVTESA-N 1 0 381.289 3.806 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCO2 ZINC000922159848 858164847 /nfs/dbraw/zinc/16/48/47/858164847.db2.gz HWHNCPDFLJUVCW-BZSNNMDCSA-N 1 0 377.529 3.607 20 30 GHEDRO Cc1cc2nc(-c3ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc3)[nH]c2cc1C ZINC000594439071 858177576 /nfs/dbraw/zinc/17/75/76/858177576.db2.gz NLTHRCMCLWQLTA-LJQANCHMSA-N 1 0 389.503 3.874 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)N(C)C)cc1OC ZINC000594493408 858190123 /nfs/dbraw/zinc/19/01/23/858190123.db2.gz LSTNGXXGYGOUOK-HXUWFJFHSA-N 1 0 381.520 3.897 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000594503648 858195478 /nfs/dbraw/zinc/19/54/78/858195478.db2.gz GGXSWKLUGIMRSO-INIZCTEOSA-N 1 0 376.422 3.846 20 30 GHEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000594515580 858205943 /nfs/dbraw/zinc/20/59/43/858205943.db2.gz NVONFKUXVRMCHQ-KRWDZBQOSA-N 1 0 395.528 3.828 20 30 GHEDRO N#Cc1ccc(N2CCC(c3nc(-c4ccn5c[nH+]cc5c4)no3)CC2)c(F)c1 ZINC000521681672 858222461 /nfs/dbraw/zinc/22/24/61/858222461.db2.gz BBNSHGVHLBKLTI-UHFFFAOYSA-N 1 0 388.406 3.779 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)cc2)CC1 ZINC000594935633 858339711 /nfs/dbraw/zinc/33/97/11/858339711.db2.gz JGJDOLWWEYTIIA-LJQANCHMSA-N 1 0 383.854 3.929 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000594936197 858339980 /nfs/dbraw/zinc/33/99/80/858339980.db2.gz VKKPSVIJBPULEG-FPOVZHCZSA-N 1 0 379.891 3.957 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1OCCCC#N ZINC000594980862 858356367 /nfs/dbraw/zinc/35/63/67/858356367.db2.gz UMJCHNLPAJFXHS-WOJBJXKFSA-N 1 0 382.508 3.612 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281419298 863017018 /nfs/dbraw/zinc/01/70/18/863017018.db2.gz DDDNLJCFGWUWIW-XXBNENTESA-N 1 0 392.547 3.744 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)cc1 ZINC000466136254 858426293 /nfs/dbraw/zinc/42/62/93/858426293.db2.gz XTVZXZXWOTXAEN-BHIFYINESA-N 1 0 380.536 3.744 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1C(F)(F)F ZINC000595229853 858445735 /nfs/dbraw/zinc/44/57/35/858445735.db2.gz QAGZOSHGXIZZHB-HNNXBMFYSA-N 1 0 380.414 3.821 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595229068 858446586 /nfs/dbraw/zinc/44/65/86/858446586.db2.gz KXOYXAQXEQSLQW-HXUWFJFHSA-N 1 0 380.492 3.941 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3cccs3)[NH+](C)C)c2c1 ZINC000439127653 858449671 /nfs/dbraw/zinc/44/96/71/858449671.db2.gz CBOZVFHKMKUVBB-INIZCTEOSA-N 1 0 382.489 3.900 20 30 GHEDRO COCC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccc(C#N)cc1 ZINC000595296839 858454387 /nfs/dbraw/zinc/45/43/87/858454387.db2.gz LZFMJJXOYYTMOZ-HXUWFJFHSA-N 1 0 381.501 3.510 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC4(CC[NH2+]CC4)CC3)cc2)ccn1 ZINC000574973234 858478459 /nfs/dbraw/zinc/47/84/59/858478459.db2.gz OALKJWQMNJMJNT-UHFFFAOYSA-N 1 0 391.475 3.743 20 30 GHEDRO COCc1cccc(OCC2(C[NH+]3CCC(C#N)(c4ccccn4)CC3)CC2)c1 ZINC000521983152 858509765 /nfs/dbraw/zinc/50/97/65/858509765.db2.gz ZHBQOFQNAREUKS-UHFFFAOYSA-N 1 0 391.515 3.944 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000115442648 858532300 /nfs/dbraw/zinc/53/23/00/858532300.db2.gz CJSJVOLKVPRMLP-GOSISDBHSA-N 1 0 377.488 3.551 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)NCC3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000595579927 858558513 /nfs/dbraw/zinc/55/85/13/858558513.db2.gz DGUSSTVNBQVCTK-LEWJYISDSA-N 1 0 396.535 3.746 20 30 GHEDRO CC1CCC([NH+]2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000115566129 858570471 /nfs/dbraw/zinc/57/04/71/858570471.db2.gz JQCLVFWOSQSQLT-UHFFFAOYSA-N 1 0 388.943 3.737 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595628376 858622560 /nfs/dbraw/zinc/62/25/60/858622560.db2.gz MDKXWLVSMHTZNZ-HXUWFJFHSA-N 1 0 382.552 3.918 20 30 GHEDRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1OC ZINC000595641078 858634894 /nfs/dbraw/zinc/63/48/94/858634894.db2.gz ZMVOUWIAWXIZAY-INIZCTEOSA-N 1 0 395.503 3.586 20 30 GHEDRO N#CCCC[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000595673470 858645243 /nfs/dbraw/zinc/64/52/43/858645243.db2.gz FKHCBBPNZJOIOZ-QFIPXVFZSA-N 1 0 398.551 3.612 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595765719 858664241 /nfs/dbraw/zinc/66/42/41/858664241.db2.gz VZNVHBZIFQRHTE-UHFFFAOYSA-N 1 0 381.451 3.630 20 30 GHEDRO C=CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)(C)C ZINC000595765514 858664278 /nfs/dbraw/zinc/66/42/78/858664278.db2.gz KBLPOGRITITHAR-KRWDZBQOSA-N 1 0 398.551 3.643 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000595819922 858682608 /nfs/dbraw/zinc/68/26/08/858682608.db2.gz RDERVBWNOBBMJN-VYMRPNJYSA-N 1 0 375.488 3.837 20 30 GHEDRO N#CCCC[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000595871176 858720546 /nfs/dbraw/zinc/72/05/46/858720546.db2.gz IQSHQHKDCUEAFE-VXKWHMMOSA-N 1 0 376.504 3.995 20 30 GHEDRO CC(C)(NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000596101892 858765180 /nfs/dbraw/zinc/76/51/80/858765180.db2.gz MSVLHLFKHWBZJO-UHFFFAOYSA-N 1 0 376.504 3.889 20 30 GHEDRO CC(C)(NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000596104528 858765902 /nfs/dbraw/zinc/76/59/02/858765902.db2.gz FSYLVLFABNJIFR-UHFFFAOYSA-N 1 0 376.504 3.889 20 30 GHEDRO CC(C)(NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000596133917 858789032 /nfs/dbraw/zinc/78/90/32/858789032.db2.gz HFMDLGKCCZUMFW-OAQYLSRUSA-N 1 0 376.504 3.930 20 30 GHEDRO Cc1c(Cl)cnc(N2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C#N ZINC000856535223 881346813 /nfs/dbraw/zinc/34/68/13/881346813.db2.gz RIFYAOIQVXEJHA-SFHVURJKSA-N 1 0 399.926 3.808 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)NC(C)(C)c3cccc(C#N)c3)CCCC2)CC1 ZINC000596280937 858835753 /nfs/dbraw/zinc/83/57/53/858835753.db2.gz GBBMOBODVZWQKC-UHFFFAOYSA-N 1 0 398.551 3.516 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)CNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000429267673 858874123 /nfs/dbraw/zinc/87/41/23/858874123.db2.gz YYKVOZQRZGMTPJ-AWEZNQCLSA-N 1 0 384.398 3.687 20 30 GHEDRO N#Cc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1C(F)(F)F ZINC000596422176 858892510 /nfs/dbraw/zinc/89/25/10/858892510.db2.gz CEHDJFLACHVZQF-GOSISDBHSA-N 1 0 375.394 3.756 20 30 GHEDRO Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000187055530 858927195 /nfs/dbraw/zinc/92/71/95/858927195.db2.gz KTCQKNWZZLCXGS-UHFFFAOYSA-N 1 0 384.911 3.794 20 30 GHEDRO CN(CCC[NH+](C)C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000184477807 858942513 /nfs/dbraw/zinc/94/25/13/858942513.db2.gz JZITUYWSTFTUHU-UHFFFAOYSA-N 1 0 380.492 3.747 20 30 GHEDRO CC1(C)Cc2ccc(Br)cc2[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429309485 858986272 /nfs/dbraw/zinc/98/62/72/858986272.db2.gz RJBODPOUFXSFOM-ZWKOTPCHSA-N 1 0 398.304 3.760 20 30 GHEDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000596693698 859009704 /nfs/dbraw/zinc/00/97/04/859009704.db2.gz BRGFIDPDXXNBSC-FQEVSTJZSA-N 1 0 392.503 3.937 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000625857470 859030997 /nfs/dbraw/zinc/03/09/97/859030997.db2.gz NJPGBEYSUIRBHS-SCZZXKLOSA-N 1 0 387.299 3.836 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3ccccc3O)sc2C1 ZINC000543248691 859033871 /nfs/dbraw/zinc/03/38/71/859033871.db2.gz CRMFCXFULKOSBG-HNNXBMFYSA-N 1 0 397.544 3.953 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+](C)C ZINC000596727220 859056103 /nfs/dbraw/zinc/05/61/03/859056103.db2.gz IDFJEFPAIWJGQF-HNNXBMFYSA-N 1 0 384.455 3.738 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185384247 859077884 /nfs/dbraw/zinc/07/78/84/859077884.db2.gz SKXWVIKZSNYCTN-FCHUYYIVSA-N 1 0 390.593 3.710 20 30 GHEDRO C#CCCCCCC(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923171725 859090486 /nfs/dbraw/zinc/09/04/86/859090486.db2.gz IYAZZVVRSANAJJ-JOCHJYFZSA-N 1 0 382.548 3.900 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000596827259 859109556 /nfs/dbraw/zinc/10/95/56/859109556.db2.gz BOKBKYSYJLCAAE-ICSRJNTNSA-N 1 0 375.463 3.664 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596828209 859110672 /nfs/dbraw/zinc/11/06/72/859110672.db2.gz BKPNYHFHZKSEMH-SFHVURJKSA-N 1 0 386.496 3.699 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CCCN(C(=O)CCc4ccccc4)CC3)cc2)CC1 ZINC000596996633 859236154 /nfs/dbraw/zinc/23/61/54/859236154.db2.gz YVKXWUSZNZXBKB-UHFFFAOYSA-N 1 0 387.527 3.909 20 30 GHEDRO C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000597044061 859248690 /nfs/dbraw/zinc/24/86/90/859248690.db2.gz VMMSYNHYFVAQJA-QGZVFWFLSA-N 1 0 386.515 3.619 20 30 GHEDRO CN(C)c1cc(F)cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000593276360 859262382 /nfs/dbraw/zinc/26/23/82/859262382.db2.gz TWQAYNZXLRLUKW-UHFFFAOYSA-N 1 0 395.482 3.503 20 30 GHEDRO N#CC1(c2ccc(CN3CCO[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]43)cc2)CC1 ZINC000597158584 859321441 /nfs/dbraw/zinc/32/14/41/859321441.db2.gz RDPJOBMLAYOSFH-DNQXCXABSA-N 1 0 387.527 3.717 20 30 GHEDRO COc1ccc(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000466727543 859336298 /nfs/dbraw/zinc/33/62/98/859336298.db2.gz PLCZDDNEFUJGQY-UHFFFAOYSA-N 1 0 377.488 3.821 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483413974 859349204 /nfs/dbraw/zinc/34/92/04/859349204.db2.gz HRGPXCHRNADQHO-JKSUJKDBSA-N 1 0 383.458 3.966 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593305712 859352168 /nfs/dbraw/zinc/35/21/68/859352168.db2.gz WEDMMFQBSTUCQC-UHFFFAOYSA-N 1 0 392.503 3.504 20 30 GHEDRO COc1ccc(C2([NH2+]CCCC3(C#N)CCOCC3)CCOCC2)cc1F ZINC000499733695 859397515 /nfs/dbraw/zinc/39/75/15/859397515.db2.gz OSIMJPLUIOSCHN-UHFFFAOYSA-N 1 0 376.472 3.530 20 30 GHEDRO C[C@@H](Cc1ccccc1F)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320096 859417891 /nfs/dbraw/zinc/41/78/91/859417891.db2.gz OWVNXIOYGWEIIR-KRWDZBQOSA-N 1 0 394.494 3.592 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001127760353 859429606 /nfs/dbraw/zinc/42/96/06/859429606.db2.gz YMFJLWSDEGZYID-FCHUYYIVSA-N 1 0 377.488 3.819 20 30 GHEDRO CC(C)(NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593334624 859450588 /nfs/dbraw/zinc/45/05/88/859450588.db2.gz HGWGWPGVLOVZBD-UHFFFAOYSA-N 1 0 376.504 3.757 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1cccc(C)c1 ZINC000131274117 859452236 /nfs/dbraw/zinc/45/22/36/859452236.db2.gz GJBRNPVIXAXQDO-UHFFFAOYSA-O 1 0 379.958 3.827 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170359764 881424068 /nfs/dbraw/zinc/42/40/68/881424068.db2.gz FCYVRNFBJDAYKS-SMCIBBBJSA-N 1 0 387.527 3.885 20 30 GHEDRO C[C@@](CO)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000483652988 859524935 /nfs/dbraw/zinc/52/49/35/859524935.db2.gz ULZMYEPKTJLPLV-DEOSSOPVSA-N 1 0 388.515 3.795 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CC2CC2)c1 ZINC000597426691 859529817 /nfs/dbraw/zinc/52/98/17/859529817.db2.gz HPKHGDGQVQVYLL-UHFFFAOYSA-N 1 0 390.535 3.681 20 30 GHEDRO Cc1cc(Cl)ccc1OCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352381 859534078 /nfs/dbraw/zinc/53/40/78/859534078.db2.gz HDXSSZRHCZBDJI-UHFFFAOYSA-N 1 0 397.906 3.680 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000601791544 859538900 /nfs/dbraw/zinc/53/89/00/859538900.db2.gz KFSIUTFHAUIJPZ-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccccc2n1 ZINC000593353696 859549181 /nfs/dbraw/zinc/54/91/81/859549181.db2.gz VHOULNPPMJTRBK-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CC2)CC1 ZINC000611058743 859591730 /nfs/dbraw/zinc/59/17/30/859591730.db2.gz ADKSQNBJKJZHEU-YDPRHXJPSA-N 1 0 394.563 3.686 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cc1 ZINC000611181066 859634375 /nfs/dbraw/zinc/63/43/75/859634375.db2.gz WXHGCPZVBPYDGH-PKTZIBPZSA-N 1 0 378.516 3.980 20 30 GHEDRO N#CCCN(C(=O)C[N@H+](Cc1ccccc1)CC1(O)CCCC1)c1ccccc1 ZINC000474219411 859634885 /nfs/dbraw/zinc/63/48/85/859634885.db2.gz KVLFOZMATDOKEK-UHFFFAOYSA-N 1 0 391.515 3.741 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000611225395 859657267 /nfs/dbraw/zinc/65/72/67/859657267.db2.gz POOWWVJWOIUCJG-HZPDHXFCSA-N 1 0 388.581 3.632 20 30 GHEDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000597617918 859685676 /nfs/dbraw/zinc/68/56/76/859685676.db2.gz XIMJPGWWWJWAJR-GOSISDBHSA-N 1 0 391.943 3.545 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c(F)cccc1C#N ZINC000552069221 859686449 /nfs/dbraw/zinc/68/64/49/859686449.db2.gz JCTYUXVREHFCTL-IBGZPJMESA-N 1 0 379.479 3.610 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc(F)c(C#N)c(F)c3)C2)s1 ZINC000597638935 859701663 /nfs/dbraw/zinc/70/16/63/859701663.db2.gz QRGOQUHIELSXIR-AWEZNQCLSA-N 1 0 389.471 3.801 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000611334616 859711118 /nfs/dbraw/zinc/71/11/18/859711118.db2.gz CHFUQMZRCQUVQJ-UHFFFAOYSA-N 1 0 389.286 3.906 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000611350133 859713983 /nfs/dbraw/zinc/71/39/83/859713983.db2.gz BUFNTJHCLLBLJJ-SFTDATJTSA-N 1 0 383.536 3.689 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(C#N)cc1 ZINC000611381787 859729923 /nfs/dbraw/zinc/72/99/23/859729923.db2.gz UOXCJKKUIMXNEA-OAHLLOKOSA-N 1 0 377.444 3.889 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1cccc(C#N)c1 ZINC000611389501 859729932 /nfs/dbraw/zinc/72/99/32/859729932.db2.gz XUYOBXPSCLMWMQ-JTQLQIEISA-N 1 0 394.219 3.888 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1ccc(C#N)cc1 ZINC000611381735 859729966 /nfs/dbraw/zinc/72/99/66/859729966.db2.gz WLTWPQHCWITEHG-KRWDZBQOSA-N 1 0 379.479 3.976 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000611387121 859731552 /nfs/dbraw/zinc/73/15/52/859731552.db2.gz ZJIFFFLHKGXSJT-NSHDSACASA-N 1 0 376.229 3.749 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc(C#N)c1 ZINC000611388395 859731825 /nfs/dbraw/zinc/73/18/25/859731825.db2.gz HMDIBJAJOQIGCY-CYBMUJFWSA-N 1 0 385.851 3.662 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1cccc(C#N)c1 ZINC000611388871 859733318 /nfs/dbraw/zinc/73/33/18/859733318.db2.gz SVVCVFLRNMKIAI-FOIQADDNSA-N 1 0 376.485 3.571 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000611394098 859735998 /nfs/dbraw/zinc/73/59/98/859735998.db2.gz GQNLIKDCNKMKHD-IBGZPJMESA-N 1 0 398.304 3.718 20 30 GHEDRO COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000611405439 859739625 /nfs/dbraw/zinc/73/96/25/859739625.db2.gz MTVMEAGTRJHNLO-GOSISDBHSA-N 1 0 399.516 3.705 20 30 GHEDRO CN1CCN([C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c2cccs2)CC1 ZINC000611390347 859740365 /nfs/dbraw/zinc/74/03/65/859740365.db2.gz UOJHKHBQHCKDSW-LEWJYISDSA-N 1 0 380.561 3.575 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000765025001 859750647 /nfs/dbraw/zinc/75/06/47/859750647.db2.gz IZRWPMREQYXAFP-JOCHJYFZSA-N 1 0 385.508 3.660 20 30 GHEDRO Cn1ccnc1C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000611438803 859761552 /nfs/dbraw/zinc/76/15/52/859761552.db2.gz VLZPXNABTOBLIX-DEOSSOPVSA-N 1 0 399.542 3.830 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000052823768 859785949 /nfs/dbraw/zinc/78/59/49/859785949.db2.gz BJFBYWUOTGHNPO-IBGZPJMESA-N 1 0 391.446 3.708 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC000611503185 859788203 /nfs/dbraw/zinc/78/82/03/859788203.db2.gz SKDXRNLQHBZELJ-DENIHFKCSA-N 1 0 382.479 3.901 20 30 GHEDRO C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611518551 859796771 /nfs/dbraw/zinc/79/67/71/859796771.db2.gz RXPXRRVJAYBRQL-NQIIRXRSSA-N 1 0 386.499 3.805 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000765360071 859927140 /nfs/dbraw/zinc/92/71/40/859927140.db2.gz RPBYHJJZLFOYHK-WMZHIEFXSA-N 1 0 395.572 3.671 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(SC)c(C#N)c2)ccc1OC(=O)C1CC1 ZINC000895777615 859935277 /nfs/dbraw/zinc/93/52/77/859935277.db2.gz WQBRFBDBYXTYCW-UHFFFAOYSA-N 1 0 382.485 3.894 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000765382785 859942688 /nfs/dbraw/zinc/94/26/88/859942688.db2.gz VHJBCQLQEUCPFJ-HXUWFJFHSA-N 1 0 390.527 3.973 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCNC(=O)c2cccc(OC)c2)cc1 ZINC000765405503 859957417 /nfs/dbraw/zinc/95/74/17/859957417.db2.gz OSEZBLYMRWWHBW-INIZCTEOSA-N 1 0 388.895 3.907 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000161503437 860003729 /nfs/dbraw/zinc/00/37/29/860003729.db2.gz UQHWBMBXQGKNLZ-KRWDZBQOSA-N 1 0 386.517 3.642 20 30 GHEDRO CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039634 860017436 /nfs/dbraw/zinc/01/74/36/860017436.db2.gz LHYUKZWYMZTKQL-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484484806 860023787 /nfs/dbraw/zinc/02/37/87/860023787.db2.gz COTVXBICOWYDBC-WFASDCNBSA-N 1 0 382.386 3.547 20 30 GHEDRO CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCc2ccccc21 ZINC000593509643 860065627 /nfs/dbraw/zinc/06/56/27/860065627.db2.gz FSIARGOVUMZONO-HSZRJFAPSA-N 1 0 388.515 3.852 20 30 GHEDRO CCN(Cc1cccs1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511171 860069733 /nfs/dbraw/zinc/06/97/33/860069733.db2.gz UPNXJMNNEOLMMW-UHFFFAOYSA-N 1 0 382.533 3.816 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)n2c1 ZINC000123773275 860080605 /nfs/dbraw/zinc/08/06/05/860080605.db2.gz DPEHVVYSBHNVDT-GOSISDBHSA-N 1 0 399.420 3.589 20 30 GHEDRO CCOC(=O)c1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ncc1Cl ZINC000593515387 860099191 /nfs/dbraw/zinc/09/91/91/860099191.db2.gz NTRPSBGVLWZENR-UHFFFAOYSA-N 1 0 398.894 3.860 20 30 GHEDRO Cc1ccc2c(c1)CCN(C(=O)NC1CC[NH+](Cc3cccc(C#N)c3)CC1)C2 ZINC000593514179 860101319 /nfs/dbraw/zinc/10/13/19/860101319.db2.gz SFTVPGNLDOEMSP-UHFFFAOYSA-N 1 0 388.515 3.599 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000602566846 860118419 /nfs/dbraw/zinc/11/84/19/860118419.db2.gz BZPHMIBIQBQNBW-NVXWUHKLSA-N 1 0 384.442 3.545 20 30 GHEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000602551485 860126445 /nfs/dbraw/zinc/12/64/45/860126445.db2.gz OKQGBWQYHULBIC-CYBMUJFWSA-N 1 0 387.343 3.531 20 30 GHEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000602590472 860129543 /nfs/dbraw/zinc/12/95/43/860129543.db2.gz UVUYOTAMFWSVHA-VLIAUNLRSA-N 1 0 392.471 3.987 20 30 GHEDRO C=CCc1cc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000654657793 860132320 /nfs/dbraw/zinc/13/23/20/860132320.db2.gz UCYHTJLVSOAKSI-OAQYLSRUSA-N 1 0 394.515 3.571 20 30 GHEDRO COc1cc(C#N)ccc1-c1nc([C@@H]2CN(Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000904108193 860132549 /nfs/dbraw/zinc/13/25/49/860132549.db2.gz HNCCIYZKJBIVPK-QRWLVFNGSA-N 1 0 390.443 3.579 20 30 GHEDRO N#Cc1cccc(C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)n1 ZINC000602629920 860184562 /nfs/dbraw/zinc/18/45/62/860184562.db2.gz MGRRZGWMRFJUMU-UHFFFAOYSA-N 1 0 386.293 3.897 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000598247281 860188134 /nfs/dbraw/zinc/18/81/34/860188134.db2.gz XGKHMPGWTOUZSM-UHFFFAOYSA-N 1 0 391.515 3.836 20 30 GHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000185433408 860193674 /nfs/dbraw/zinc/19/36/74/860193674.db2.gz WMRQXEDXOAZUJI-QGZVFWFLSA-N 1 0 381.476 3.725 20 30 GHEDRO C[C@@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1cccc(F)c1 ZINC000922565667 860197969 /nfs/dbraw/zinc/19/79/69/860197969.db2.gz CRVGAHHCGPGOQW-JOCHJYFZSA-N 1 0 378.451 3.600 20 30 GHEDRO CCOC(=O)C1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000602752943 860257247 /nfs/dbraw/zinc/25/72/47/860257247.db2.gz YRPOLWBYBWOTLV-UHFFFAOYSA-N 1 0 380.492 3.675 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c1 ZINC000922595925 860285008 /nfs/dbraw/zinc/28/50/08/860285008.db2.gz BQFCTSGLEBRUCL-UHFFFAOYSA-N 1 0 392.499 3.549 20 30 GHEDRO C=CCn1c(-c2sccc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508964992 860312965 /nfs/dbraw/zinc/31/29/65/860312965.db2.gz VNCDANZUXAGMAX-FUHWJXTLSA-N 1 0 383.565 3.954 20 30 GHEDRO C=CCn1c(-c2sccc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508964991 860313136 /nfs/dbraw/zinc/31/31/36/860313136.db2.gz VNCDANZUXAGMAX-AEFFLSMTSA-N 1 0 383.565 3.954 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000602873050 860330689 /nfs/dbraw/zinc/33/06/89/860330689.db2.gz HCYRWKCJTMXEGO-APWZRJJASA-N 1 0 388.581 3.681 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602875230 860331518 /nfs/dbraw/zinc/33/15/18/860331518.db2.gz XYSIHTMJNGKUHZ-QFBILLFUSA-N 1 0 388.581 3.539 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[C@@H]2C1 ZINC000329457366 860365849 /nfs/dbraw/zinc/36/58/49/860365849.db2.gz QPDQSUGIUULNDP-FOIQADDNSA-N 1 0 379.435 3.656 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC1 ZINC001170398057 881531598 /nfs/dbraw/zinc/53/15/98/881531598.db2.gz KHQMMVIIMYRVBI-UHFFFAOYSA-N 1 0 380.467 3.863 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532225485 881531914 /nfs/dbraw/zinc/53/19/14/881531914.db2.gz XPYNNYCPZWWHGR-KXBFYZLASA-N 1 0 392.478 3.902 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCCn3nccc32)c1C#N ZINC000603029113 860438064 /nfs/dbraw/zinc/43/80/64/860438064.db2.gz WHJNCBQGAYOGHM-IBGZPJMESA-N 1 0 394.523 3.742 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000598597371 860440156 /nfs/dbraw/zinc/44/01/56/860440156.db2.gz XFOPHBIKQDDJBF-JKSUJKDBSA-N 1 0 398.288 3.729 20 30 GHEDRO CC(C)C[C@H]1CN(CCCc2ccccc2)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598617252 860446573 /nfs/dbraw/zinc/44/65/73/860446573.db2.gz HHNMFHUDFHCKCG-GOTSBHOMSA-N 1 0 385.596 3.952 20 30 GHEDRO CN(C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C1(C[NH3+])CCOCC1 ZINC000904494076 860460803 /nfs/dbraw/zinc/46/08/03/860460803.db2.gz HLYMWWGOPZVUCS-UHFFFAOYSA-N 1 0 396.516 3.681 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)c1 ZINC000598642235 860469545 /nfs/dbraw/zinc/46/95/45/860469545.db2.gz DSSOIKCDBMFXDF-UHFFFAOYSA-N 1 0 387.405 3.862 20 30 GHEDRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C[C@H](O)CC(C)(C)C#N ZINC000598626918 860473714 /nfs/dbraw/zinc/47/37/14/860473714.db2.gz LFBXMWIWMLGUMB-XYPHTWIQSA-N 1 0 381.314 3.512 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000730029597 860490398 /nfs/dbraw/zinc/49/03/98/860490398.db2.gz MYXZATUEPCLGHK-UHFFFAOYSA-N 1 0 394.563 3.976 20 30 GHEDRO C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552428438 860526808 /nfs/dbraw/zinc/52/68/08/860526808.db2.gz BKTSEVFMFPRARW-YLJYHZDGSA-N 1 0 391.490 3.756 20 30 GHEDRO C[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000170686105 860566928 /nfs/dbraw/zinc/56/69/28/860566928.db2.gz GHQBSQDPBPDQPD-UHFFFAOYSA-N 1 0 382.261 3.725 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](C/C=C\C)C1 ZINC000624979789 860586467 /nfs/dbraw/zinc/58/64/67/860586467.db2.gz NKQCRSLLXLRFPQ-GESBFJBKSA-N 1 0 385.556 3.573 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2CC3CC2(C(=O)NCc2ccco2)C3)CC1 ZINC001170381336 881558080 /nfs/dbraw/zinc/55/80/80/881558080.db2.gz LCGYQXSLNCWWOQ-UHFFFAOYSA-N 1 0 389.499 3.764 20 30 GHEDRO N#CC1(c2ccccc2)CCC(N2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001170383228 881559732 /nfs/dbraw/zinc/55/97/32/881559732.db2.gz IYNJSKMLKMJDOJ-UHFFFAOYSA-N 1 0 389.547 3.699 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589214 881560514 /nfs/dbraw/zinc/56/05/14/881560514.db2.gz HVQLDGQKHMYRHQ-JOCHJYFZSA-N 1 0 383.923 3.692 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000522467679 860659738 /nfs/dbraw/zinc/65/97/38/860659738.db2.gz YFWMLKNWDGHZKD-FQEVSTJZSA-N 1 0 385.479 3.837 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000509063128 860767030 /nfs/dbraw/zinc/76/70/30/860767030.db2.gz LBMCFYCAFAUYHP-NRFANRHFSA-N 1 0 392.499 3.570 20 30 GHEDRO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000593679118 860801937 /nfs/dbraw/zinc/80/19/37/860801937.db2.gz USGRJHPOAFZJAH-XMMPIXPASA-N 1 0 399.542 3.830 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc(Cl)c1OC ZINC000593688405 860823667 /nfs/dbraw/zinc/82/36/67/860823667.db2.gz QUXSSRWLCVJUEF-UHFFFAOYSA-N 1 0 399.922 3.983 20 30 GHEDRO CCOc1cccc(/C=N\Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c1O ZINC000730147834 860897209 /nfs/dbraw/zinc/89/72/09/860897209.db2.gz UPKFFSLBQXLFJJ-JLPGSUDCSA-N 1 0 385.483 3.691 20 30 GHEDRO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599274451 860999145 /nfs/dbraw/zinc/99/91/45/860999145.db2.gz TYOZBXWFCXBXBE-SFHVURJKSA-N 1 0 384.442 3.987 20 30 GHEDRO COC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(F)c(F)c1 ZINC000593719945 861000057 /nfs/dbraw/zinc/00/00/57/861000057.db2.gz DMPPDGWVLYRFMV-JOCHJYFZSA-N 1 0 385.458 3.778 20 30 GHEDRO CCc1cccc2c(C3CC[NH+](C[C@H](O)CC4(C#N)CCOCC4)CC3)c[nH]c21 ZINC000599268687 861018136 /nfs/dbraw/zinc/01/81/36/861018136.db2.gz IIXZGOOXMUQSRM-HXUWFJFHSA-N 1 0 395.547 3.981 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[N@@H+]1CCC[C@H](C)C1 ZINC000603692482 861025978 /nfs/dbraw/zinc/02/59/78/861025978.db2.gz YJXFGXZXFIDZLW-DLBZAZTESA-N 1 0 393.491 3.987 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000603692886 861028922 /nfs/dbraw/zinc/02/89/22/861028922.db2.gz QEACPZKDACNNEQ-UHFFFAOYSA-N 1 0 379.464 3.551 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1OC ZINC000509101585 861041416 /nfs/dbraw/zinc/04/14/16/861041416.db2.gz YCDIXTMEWGKXRT-UHFFFAOYSA-N 1 0 377.488 3.844 20 30 GHEDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC(Cc2cccnc2)CC1 ZINC000329139835 861057540 /nfs/dbraw/zinc/05/75/40/861057540.db2.gz JCOFVUNBGLQXNX-UHFFFAOYSA-N 1 0 393.535 3.562 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000185623201 861083884 /nfs/dbraw/zinc/08/38/84/861083884.db2.gz SRPDKTOVQXRWQL-LBPRGKRZSA-N 1 0 393.413 3.613 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000185636325 861106728 /nfs/dbraw/zinc/10/67/28/861106728.db2.gz UTXDATRSMAIFDW-MBSDFSHPSA-N 1 0 388.515 3.753 20 30 GHEDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)COc3ccccc3C#N)c(C)c2c1 ZINC000599358097 861120862 /nfs/dbraw/zinc/12/08/62/861120862.db2.gz DGARAKFXLPNYBL-NVXWUHKLSA-N 1 0 380.444 3.712 20 30 GHEDRO CC(C)c1ccc(SCC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000329199601 861129606 /nfs/dbraw/zinc/12/96/06/861129606.db2.gz VXLGKRFEFNJBMC-LJQANCHMSA-N 1 0 389.565 3.554 20 30 GHEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000599386487 861151393 /nfs/dbraw/zinc/15/13/93/861151393.db2.gz VTQUNQIKKLYXKO-AEFFLSMTSA-N 1 0 378.394 3.890 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000329213255 861152565 /nfs/dbraw/zinc/15/25/65/861152565.db2.gz JDCIHVORSWAPRK-KBPBESRZSA-N 1 0 384.446 3.740 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000733849846 863217955 /nfs/dbraw/zinc/21/79/55/863217955.db2.gz GENHHYLXWCOXIE-IBGZPJMESA-N 1 0 398.507 3.542 20 30 GHEDRO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1CCC#N ZINC000282585268 863244265 /nfs/dbraw/zinc/24/42/65/863244265.db2.gz DESOKHHOCXQTER-IBGZPJMESA-N 1 0 394.523 3.527 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000160123738 863328591 /nfs/dbraw/zinc/32/85/91/863328591.db2.gz HUZNMAFZMJWKIM-MGPUTAFESA-N 1 0 380.467 3.975 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000593945204 863443190 /nfs/dbraw/zinc/44/31/90/863443190.db2.gz RWOIRLYSWRZMBP-WZONZLPQSA-N 1 0 391.515 3.699 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000593985231 863632059 /nfs/dbraw/zinc/63/20/59/863632059.db2.gz VPXJWKDEBLHOTB-PMACEKPBSA-N 1 0 375.516 3.860 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000143231023 863683819 /nfs/dbraw/zinc/68/38/19/863683819.db2.gz ASNRWAOEURZVHX-AVRDEDQJSA-N 1 0 377.488 3.587 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)/C=C/c3ccccc3C#N)cc2)CC1 ZINC000172488178 863685754 /nfs/dbraw/zinc/68/57/54/863685754.db2.gz VSEGWGRQIOYGFJ-KPKJPENVSA-N 1 0 388.515 3.988 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000593992650 863691127 /nfs/dbraw/zinc/69/11/27/863691127.db2.gz BSEBGNWBZAQNHM-MSYCTHLASA-N 1 0 375.516 3.906 20 30 GHEDRO CCc1csc(CC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000594019940 863760258 /nfs/dbraw/zinc/76/02/58/863760258.db2.gz SXGDUJGUQUNEQB-UHFFFAOYSA-N 1 0 382.533 3.860 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000594044075 863889889 /nfs/dbraw/zinc/88/98/89/863889889.db2.gz NGIBAXNKUOSKPC-HNNXBMFYSA-N 1 0 381.442 3.612 20 30 GHEDRO CC(C)C[C@](C)([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(Br)c1 ZINC000554250928 864002332 /nfs/dbraw/zinc/00/23/32/864002332.db2.gz VWCFINSYTSRXBV-SFHVURJKSA-N 1 0 392.341 3.862 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c(C)onc1CC ZINC000159053175 864019799 /nfs/dbraw/zinc/01/97/99/864019799.db2.gz YZBSKQIGXITNCT-UHFFFAOYSA-N 1 0 375.542 3.644 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000609204142 881719952 /nfs/dbraw/zinc/71/99/52/881719952.db2.gz RBVCABUKKJRTDF-LJQANCHMSA-N 1 0 386.442 3.650 20 30 GHEDRO C=CCOc1ccccc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475083226 864101477 /nfs/dbraw/zinc/10/14/77/864101477.db2.gz AJAYEJSXVYXBJZ-ROUUACIJSA-N 1 0 375.513 3.752 20 30 GHEDRO C=CC[C@H](NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccncc1 ZINC000734237346 864102863 /nfs/dbraw/zinc/10/28/63/864102863.db2.gz OENOLXMEBVTPOE-QFIPXVFZSA-N 1 0 378.520 3.659 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)Nc1cccc(Cl)c1 ZINC000734363248 864177422 /nfs/dbraw/zinc/17/74/22/864177422.db2.gz HFFVODKOTCPFOH-AWEZNQCLSA-N 1 0 387.940 3.919 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000734388403 864208397 /nfs/dbraw/zinc/20/83/97/864208397.db2.gz UQADBBOVASGNGP-KBXCAEBGSA-N 1 0 394.972 3.635 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC000856780137 881740806 /nfs/dbraw/zinc/74/08/06/881740806.db2.gz JHZAPSHRVSIRSJ-DGCLKSJQSA-N 1 0 399.800 3.716 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000734479897 864245856 /nfs/dbraw/zinc/24/58/56/864245856.db2.gz AZNLAZRBMGJHJR-UHFFFAOYSA-N 1 0 397.404 3.842 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCSC1 ZINC000480277762 864410797 /nfs/dbraw/zinc/41/07/97/864410797.db2.gz YESJQZIRZMGRIF-OAQYLSRUSA-N 1 0 381.501 3.518 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cccc(C#N)c1 ZINC000063300909 864480409 /nfs/dbraw/zinc/48/04/09/864480409.db2.gz ZNQWJQATWZKWFD-UHFFFAOYSA-N 1 0 378.432 3.792 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)ccc1OC ZINC000480462752 864698767 /nfs/dbraw/zinc/69/87/67/864698767.db2.gz DEGYNLRGXSGQRF-NRFANRHFSA-N 1 0 394.515 3.849 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(-c2ccc(C#N)cc2)n1 ZINC000792909189 881795386 /nfs/dbraw/zinc/79/53/86/881795386.db2.gz SVHLDXCYSRWNFR-FUHWJXTLSA-N 1 0 375.303 3.974 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H](C[N@@H+](C)CCC)C2)c1=S ZINC000173446601 864773494 /nfs/dbraw/zinc/77/34/94/864773494.db2.gz DMRYTGYDDRUAFN-FQEVSTJZSA-N 1 0 399.608 3.812 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000735491447 864828965 /nfs/dbraw/zinc/82/89/65/864828965.db2.gz HNMYPSHTWVDECD-XWTMOSNGSA-N 1 0 396.560 3.810 20 30 GHEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000659304341 864896033 /nfs/dbraw/zinc/89/60/33/864896033.db2.gz BDBHDSNRMNLYFD-ONGXEEELSA-N 1 0 386.311 3.785 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(c3ccccc3)CCCCC2)c1 ZINC000554797864 864931591 /nfs/dbraw/zinc/93/15/91/864931591.db2.gz CCOUFZNGYAQWPF-UHFFFAOYSA-N 1 0 382.529 3.824 20 30 GHEDRO C[NH+]=C(NCc1ccc(C)nc1)NCC1(c2ccccc2Br)CC1 ZINC000262494207 865079520 /nfs/dbraw/zinc/07/95/20/865079520.db2.gz JSIGTDFUZIMQDG-UHFFFAOYSA-N 1 0 387.325 3.549 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000480680439 865103255 /nfs/dbraw/zinc/10/32/55/865103255.db2.gz OFDAPLFEPQIXMG-JOCHJYFZSA-N 1 0 387.527 3.788 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc2cc(F)ccc12 ZINC000480730534 865188068 /nfs/dbraw/zinc/18/80/68/865188068.db2.gz VAQBJTOXNYPYJY-UHFFFAOYSA-N 1 0 379.435 3.576 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC1 ZINC000608324736 865206701 /nfs/dbraw/zinc/20/67/01/865206701.db2.gz BKGJDZLTYINZSZ-UHFFFAOYSA-N 1 0 381.480 3.739 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)[NH+]2CCCC2)o1 ZINC000594218771 865443535 /nfs/dbraw/zinc/44/35/35/865443535.db2.gz FHVPYQHCQLZBJN-HXUWFJFHSA-N 1 0 392.503 3.975 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)NCC1CC[NH+](Cc3cccs3)CC1)C2 ZINC000594227777 865452295 /nfs/dbraw/zinc/45/22/95/865452295.db2.gz YCBXUUGQXDUOPT-UHFFFAOYSA-N 1 0 380.517 3.557 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H]1[NH+]1CCCC1 ZINC000444369379 865532375 /nfs/dbraw/zinc/53/23/75/865532375.db2.gz RQWAIOWZRGKLPW-LEWJYISDSA-N 1 0 396.560 3.597 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000487479860 865546118 /nfs/dbraw/zinc/54/61/18/865546118.db2.gz ZFKHBNSKHASKGR-QHCPKHFHSA-N 1 0 390.531 3.599 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000555132326 865552733 /nfs/dbraw/zinc/55/27/33/865552733.db2.gz JYVITYJXIZCRAI-TZIWHRDSSA-N 1 0 379.495 3.503 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594255783 865621281 /nfs/dbraw/zinc/62/12/81/865621281.db2.gz IARLOUJYUNRGHK-PXNSSMCTSA-N 1 0 381.545 3.827 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1ccc(C#N)cc1 ZINC000151867657 865681886 /nfs/dbraw/zinc/68/18/86/865681886.db2.gz FVEXCIWARFEYKG-QFIPXVFZSA-N 1 0 391.515 3.710 20 30 GHEDRO CCS[C@H]1CCCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000481033438 865686346 /nfs/dbraw/zinc/68/63/46/865686346.db2.gz JXKWLDNABKSDIQ-SFHVURJKSA-N 1 0 398.494 3.781 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1)CC(C)C ZINC000555213877 865728595 /nfs/dbraw/zinc/72/85/95/865728595.db2.gz DJIMBGVUBXISTE-UHFFFAOYSA-N 1 0 387.543 3.967 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000173206408 865775928 /nfs/dbraw/zinc/77/59/28/865775928.db2.gz LFHBFLYVGZZETD-MOPGFXCFSA-N 1 0 387.487 3.858 20 30 GHEDRO COC(=O)[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000739991663 865820616 /nfs/dbraw/zinc/82/06/16/865820616.db2.gz YXUBNMVJCKIJGQ-JOCHJYFZSA-N 1 0 377.488 3.913 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000174468842 865827930 /nfs/dbraw/zinc/82/79/30/865827930.db2.gz LNDAPXSPNUPYIN-DNVCBOLYSA-N 1 0 383.879 3.916 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740023117 865845531 /nfs/dbraw/zinc/84/55/31/865845531.db2.gz RZGNQCJEIVIOAY-INIZCTEOSA-N 1 0 382.533 3.960 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740023120 865845802 /nfs/dbraw/zinc/84/58/02/865845802.db2.gz RZGNQCJEIVIOAY-MRXNPFEDSA-N 1 0 382.533 3.960 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000455980395 865944404 /nfs/dbraw/zinc/94/44/04/865944404.db2.gz FVHNHTLBATXMEH-QZTJIDSGSA-N 1 0 384.524 3.610 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000740736484 865974140 /nfs/dbraw/zinc/97/41/40/865974140.db2.gz WHFBGLDZBMCYRO-UHFFFAOYSA-N 1 0 383.923 3.965 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2Nc2ccc(OC)cc2)CC1 ZINC000740737331 865975131 /nfs/dbraw/zinc/97/51/31/865975131.db2.gz LPVWAEZOLLAHHW-UHFFFAOYSA-N 1 0 377.488 3.656 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000740737048 865975194 /nfs/dbraw/zinc/97/51/94/865975194.db2.gz XPSDCSAGEOGMLN-UHFFFAOYSA-N 1 0 392.459 3.556 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1cccc(CC#N)c1 ZINC000455927014 865978979 /nfs/dbraw/zinc/97/89/79/865978979.db2.gz YYCPZOGJMKPHKI-UHFFFAOYSA-N 1 0 380.492 3.795 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC001126597160 865993032 /nfs/dbraw/zinc/99/30/32/865993032.db2.gz KYQVXYSCRLSRDJ-YBNHLDJLSA-N 1 0 384.520 3.654 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000121795944 881933115 /nfs/dbraw/zinc/93/31/15/881933115.db2.gz XDRHODKHLNQWHL-QGZVFWFLSA-N 1 0 386.540 3.683 20 30 GHEDRO Cc1nn(-c2ccccc2)c(COC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1C#N ZINC000741011972 866159532 /nfs/dbraw/zinc/15/95/32/866159532.db2.gz YVFHLOCQFABOHP-OAQYLSRUSA-N 1 0 380.492 3.606 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)/C=C/c3ccccc3C#N)CC[N@@H+]2C)cc1 ZINC000741120857 866243250 /nfs/dbraw/zinc/24/32/50/866243250.db2.gz NCLBONKIXBIZQO-UZYWOGEQSA-N 1 0 376.456 3.816 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCc1ccccn1 ZINC000920256726 881955879 /nfs/dbraw/zinc/95/58/79/881955879.db2.gz XAVDQOKBUIZJMI-UHFFFAOYSA-N 1 0 382.533 3.787 20 30 GHEDRO CON=Cc1ccc(C(=O)OC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000741125026 866255602 /nfs/dbraw/zinc/25/56/02/866255602.db2.gz SMTZCMJYCKEBNJ-TZIWHRDSSA-N 1 0 382.460 3.525 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)C(C)C ZINC000152454676 866269952 /nfs/dbraw/zinc/26/99/52/866269952.db2.gz WAKBCECVAUDDPY-HXUWFJFHSA-N 1 0 386.540 3.517 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)o2)cc1 ZINC000071028582 866339040 /nfs/dbraw/zinc/33/90/40/866339040.db2.gz AIRLWRLMRDPIQL-UHFFFAOYSA-N 1 0 385.383 3.563 20 30 GHEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000183223492 866398309 /nfs/dbraw/zinc/39/83/09/866398309.db2.gz RYWYOPQEENWVPY-JOCHJYFZSA-N 1 0 387.487 3.978 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000440384467 866400148 /nfs/dbraw/zinc/40/01/48/866400148.db2.gz WNJJUFOTDHWOCM-UKILVPOCSA-N 1 0 387.527 3.743 20 30 GHEDRO C=CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000665847337 866548820 /nfs/dbraw/zinc/54/88/20/866548820.db2.gz PFEWVFHHWUNCMG-UHFFFAOYSA-N 1 0 380.492 3.680 20 30 GHEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N(C)Cc1ccccc1 ZINC000305209769 866581500 /nfs/dbraw/zinc/58/15/00/866581500.db2.gz GWCNLRSGQUJIJM-AWEZNQCLSA-N 1 0 380.414 3.832 20 30 GHEDRO COc1cc(OC)c(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(OC)c1 ZINC000305247157 866589939 /nfs/dbraw/zinc/58/99/39/866589939.db2.gz TXWRYSLLJBODFE-UHFFFAOYSA-N 1 0 399.369 3.538 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000049798637 866600768 /nfs/dbraw/zinc/60/07/68/866600768.db2.gz FYKOSVYYLUMHJC-JOCHJYFZSA-N 1 0 394.519 3.791 20 30 GHEDRO C=C(C)[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)OCC ZINC000534427491 866742933 /nfs/dbraw/zinc/74/29/33/866742933.db2.gz MAGSCFBAVGOHHO-SFHVURJKSA-N 1 0 397.357 3.711 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)COc3ccc(C#N)cc3)ccc21 ZINC000065316809 866966218 /nfs/dbraw/zinc/96/62/18/866966218.db2.gz BSGBLHJGWSKGEL-UHFFFAOYSA-N 1 0 390.487 3.872 20 30 GHEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCCCC(C)(C)C#N ZINC000444685164 867029910 /nfs/dbraw/zinc/02/99/10/867029910.db2.gz QMVQJNZJSJXGHE-KRWDZBQOSA-N 1 0 377.554 3.939 20 30 GHEDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3F)C1)CC2 ZINC000479058888 867075260 /nfs/dbraw/zinc/07/52/60/867075260.db2.gz KPINKSBAVKGFMX-FXAWDEMLSA-N 1 0 395.478 3.960 20 30 GHEDRO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000444718602 867134262 /nfs/dbraw/zinc/13/42/62/867134262.db2.gz VYBYSCIAJCYSGS-KBXCAEBGSA-N 1 0 380.330 3.632 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444725446 867148394 /nfs/dbraw/zinc/14/83/94/867148394.db2.gz MYFILDQXUUUUNZ-RBUKOAKNSA-N 1 0 379.504 3.924 20 30 GHEDRO C=CC[C@H]1[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CCCC1(C)C ZINC000444774050 867214648 /nfs/dbraw/zinc/21/46/48/867214648.db2.gz HHWABBPCGHBMFE-OAQYLSRUSA-N 1 0 384.564 3.918 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCc1ncc(CC)s1 ZINC000742384731 867251183 /nfs/dbraw/zinc/25/11/83/867251183.db2.gz KPEYHYGGAYONGI-UHFFFAOYSA-N 1 0 379.323 3.812 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccc(Br)cc2)cc1C#N ZINC000742388169 867251695 /nfs/dbraw/zinc/25/16/95/867251695.db2.gz MNHDSWLHXDZYGE-CYBMUJFWSA-N 1 0 375.266 3.886 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1C#N ZINC000742371383 867265423 /nfs/dbraw/zinc/26/54/23/867265423.db2.gz UJPLIAOECKTFSL-HNNXBMFYSA-N 1 0 383.467 3.518 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C12CCCCC2 ZINC000429787494 867335001 /nfs/dbraw/zinc/33/50/01/867335001.db2.gz NQLANNVCWNKZBC-ROUUACIJSA-N 1 0 375.900 3.868 20 30 GHEDRO C[C@@H](Oc1ccccc1Cl)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479276560 867464366 /nfs/dbraw/zinc/46/43/66/867464366.db2.gz GLEVWNZFMPRXBY-QGZVFWFLSA-N 1 0 397.906 3.782 20 30 GHEDRO N#CC1(NC(=O)Cc2cccc(OC(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479292562 867523480 /nfs/dbraw/zinc/52/34/80/867523480.db2.gz VXLKIFCBRLECRW-UHFFFAOYSA-N 1 0 399.441 3.505 20 30 GHEDRO CN(C(=O)CSCc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063986 867599039 /nfs/dbraw/zinc/59/90/39/867599039.db2.gz BRNXJEQCHVDTJD-UHFFFAOYSA-N 1 0 399.482 3.667 20 30 GHEDRO CN(C(=O)c1cc(F)c(F)c(F)c1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079067 867667727 /nfs/dbraw/zinc/66/77/27/867667727.db2.gz FBUXQCCWCHHVDC-UHFFFAOYSA-N 1 0 386.311 3.732 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)ccc1C#N ZINC000440639531 867694323 /nfs/dbraw/zinc/69/43/23/867694323.db2.gz PXORNQQMRFNARX-INIZCTEOSA-N 1 0 375.394 3.954 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2nc3cccnc3s2)CC1 ZINC000857220051 882120218 /nfs/dbraw/zinc/12/02/18/882120218.db2.gz ZEIWKTGWOSRVIR-UHFFFAOYSA-N 1 0 386.912 3.543 20 30 GHEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000440654698 867808950 /nfs/dbraw/zinc/80/89/50/867808950.db2.gz SWFYWQZNHTVWQB-HNNXBMFYSA-N 1 0 385.309 3.934 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000857233626 882132115 /nfs/dbraw/zinc/13/21/15/882132115.db2.gz FJERDDGOQGBAAJ-QAPCUYQASA-N 1 0 375.513 3.663 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000743462547 868213290 /nfs/dbraw/zinc/21/32/90/868213290.db2.gz JFWMMQMVNCKODD-ZWKOTPCHSA-N 1 0 395.503 3.998 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000479616254 868225214 /nfs/dbraw/zinc/22/52/14/868225214.db2.gz JXYWHZXGIZCUKD-PMACEKPBSA-N 1 0 381.472 3.721 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000743492982 868237191 /nfs/dbraw/zinc/23/71/91/868237191.db2.gz CYQQTMXJEZPHIF-UHFFFAOYSA-N 1 0 391.446 3.707 20 30 GHEDRO N#CC1(NC(=O)C[NH+]2CCC(CCc3cccc(C(F)(F)F)c3)CC2)CCC1 ZINC000553864137 868369941 /nfs/dbraw/zinc/36/99/41/868369941.db2.gz OLJKVTRLDFXRIB-UHFFFAOYSA-N 1 0 393.453 3.912 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000479958965 868772558 /nfs/dbraw/zinc/77/25/58/868772558.db2.gz MVFAIDGALGRDAN-LJQANCHMSA-N 1 0 377.488 3.959 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000666046859 882225910 /nfs/dbraw/zinc/22/59/10/882225910.db2.gz RSTJHAUBLJMINH-LJQANCHMSA-N 1 0 376.504 3.723 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000669813970 868779608 /nfs/dbraw/zinc/77/96/08/868779608.db2.gz DSBHSCUSUBVEME-UHFFFAOYSA-N 1 0 379.552 3.704 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)n1 ZINC000157968688 868815873 /nfs/dbraw/zinc/81/58/73/868815873.db2.gz DHZSXQVYIYHDEY-UHFFFAOYSA-N 1 0 375.432 3.704 20 30 GHEDRO C=CCn1c(-c2ccncc2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1=S ZINC000744445053 868846745 /nfs/dbraw/zinc/84/67/45/868846745.db2.gz SKUFGZLMRVZZTK-MOPGFXCFSA-N 1 0 398.580 3.567 20 30 GHEDRO NC(=[NH+]OCc1ccn(-c2cccc(F)c2)n1)c1ccc(N2CCCCC2)cc1 ZINC000744445629 868847296 /nfs/dbraw/zinc/84/72/96/868847296.db2.gz BOFHRMXAJOHZMR-UHFFFAOYSA-N 1 0 393.466 3.839 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000609078939 868902231 /nfs/dbraw/zinc/90/22/31/868902231.db2.gz DZTMPVSOWNWWQC-LJQANCHMSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1ccc(NC(=O)CCN2CC[NH+](CC3CCCCC3)CC2)cc1Cl ZINC000064129415 868917182 /nfs/dbraw/zinc/91/71/82/868917182.db2.gz DCCXEQCQOKXOJA-UHFFFAOYSA-N 1 0 388.943 3.738 20 30 GHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000457929324 869000946 /nfs/dbraw/zinc/00/09/46/869000946.db2.gz NIMQTWFNHGFJOJ-FGZHOGPDSA-N 1 0 378.520 3.894 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000524450959 869100023 /nfs/dbraw/zinc/10/00/23/869100023.db2.gz SDKQLYGNRWEUMG-UHFFFAOYSA-N 1 0 397.544 3.721 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000524450811 869101535 /nfs/dbraw/zinc/10/15/35/869101535.db2.gz GVQBMUWAOYQDAA-UHFFFAOYSA-N 1 0 397.544 3.721 20 30 GHEDRO CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H](O)C(F)(F)F ZINC000428422269 869114712 /nfs/dbraw/zinc/11/47/12/869114712.db2.gz RADYMKVUNCLHDR-IBGZPJMESA-N 1 0 378.394 3.882 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000122249322 869207304 /nfs/dbraw/zinc/20/73/04/869207304.db2.gz SGTVWLOBBCBHIU-JPYJTQIMSA-N 1 0 391.515 3.940 20 30 GHEDRO CCC(CC)(CC(=O)OC)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000440906615 869216634 /nfs/dbraw/zinc/21/66/34/869216634.db2.gz UJDSZCFFESKSDQ-UHFFFAOYSA-N 1 0 391.537 3.539 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[N@@H+]1C1CC1 ZINC000440918356 869272377 /nfs/dbraw/zinc/27/23/77/869272377.db2.gz AVCXCXHFUXWWHY-ZBFHGGJFSA-N 1 0 379.435 3.845 20 30 GHEDRO C=CC[N@H+](Cc1cccc(OC(C)(C)C)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508853585 869291697 /nfs/dbraw/zinc/29/16/97/869291697.db2.gz AXNMJXDWQGDWRD-QGZVFWFLSA-N 1 0 392.507 3.984 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000443101631 869423022 /nfs/dbraw/zinc/42/30/22/869423022.db2.gz IYUWBDOGSKLJAB-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)nc1 ZINC000793593758 882298453 /nfs/dbraw/zinc/29/84/53/882298453.db2.gz XVVFLHQDCHKIIS-MRXNPFEDSA-N 1 0 389.455 3.937 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1 ZINC000609098785 869488079 /nfs/dbraw/zinc/48/80/79/869488079.db2.gz HPQAXUXRGFUWDA-QHCPKHFHSA-N 1 0 390.531 3.685 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1C(C)(C)C ZINC000462545721 869641480 /nfs/dbraw/zinc/64/14/80/869641480.db2.gz FMFXNKVXZOYCQK-UHFFFAOYSA-N 1 0 399.560 3.608 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O)C(C)C ZINC000539713921 869656009 /nfs/dbraw/zinc/65/60/09/869656009.db2.gz MBALHRWUXBEFMW-VNXMGFANSA-N 1 0 391.600 3.656 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000524863453 869688340 /nfs/dbraw/zinc/68/83/40/869688340.db2.gz FMDHCAGUGQDXQD-UHFFFAOYSA-N 1 0 390.531 3.753 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000745822373 869846026 /nfs/dbraw/zinc/84/60/26/869846026.db2.gz GYJDWTIHMHIWAI-OAQYLSRUSA-N 1 0 380.467 3.724 20 30 GHEDRO N#Cc1cccc(OCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000745976364 869921843 /nfs/dbraw/zinc/92/18/43/869921843.db2.gz WSEWEGHJSCECLM-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)ccc1OC ZINC000462739061 869994719 /nfs/dbraw/zinc/99/47/19/869994719.db2.gz NHCCULCPYIJKRE-XLIONFOSSA-N 1 0 380.488 3.934 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920761632 882364082 /nfs/dbraw/zinc/36/40/82/882364082.db2.gz NXWXSHWYVSSCNI-IEBWSBKVSA-N 1 0 392.341 3.510 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000746198707 870105455 /nfs/dbraw/zinc/10/54/55/870105455.db2.gz YRDOQMPLBVSHBG-BQYDLMEBSA-N 1 0 386.536 3.757 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1OC ZINC000539977667 870142303 /nfs/dbraw/zinc/14/23/03/870142303.db2.gz POOJHHUYYVHNLD-KBPBESRZSA-N 1 0 384.314 3.927 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)C(C)(C)C)cc1OCC ZINC000446749528 870292816 /nfs/dbraw/zinc/29/28/16/870292816.db2.gz BCIRPQAAIDGHDT-MRXNPFEDSA-N 1 0 386.330 3.909 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC001192334872 870296435 /nfs/dbraw/zinc/29/64/35/870296435.db2.gz KQLDPYOKVDJRKA-CYFREDJKSA-N 1 0 375.516 3.827 20 30 GHEDRO Cc1ncn(-c2ncc(Cl)cc2C#C[Si](C)(C)C)c1CSCC[NH3+] ZINC001168786328 870748377 /nfs/dbraw/zinc/74/83/77/870748377.db2.gz MUQIDWJHXHCWLH-UHFFFAOYSA-N 1 0 379.005 3.650 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1C#N ZINC000610244031 882462699 /nfs/dbraw/zinc/46/26/99/882462699.db2.gz UAUAJLPYUDKZLU-OAHLLOKOSA-N 1 0 384.549 3.501 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)CC1 ZINC000525568664 870981969 /nfs/dbraw/zinc/98/19/69/870981969.db2.gz GDJWFOFPOJOCTK-UHFFFAOYSA-N 1 0 382.508 3.705 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429712467 871032500 /nfs/dbraw/zinc/03/25/00/871032500.db2.gz BPIIKVJXEOLWSK-RTBURBONSA-N 1 0 393.535 3.562 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000667182504 871048742 /nfs/dbraw/zinc/04/87/42/871048742.db2.gz CIQJUERONQAICC-GFCCVEGCSA-N 1 0 398.322 3.943 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)C1CCCCC1 ZINC000429705395 871060141 /nfs/dbraw/zinc/06/01/41/871060141.db2.gz AVGBVJFHEDXAMO-OAQYLSRUSA-N 1 0 393.535 3.704 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc(-c2cc(Br)cs2)no1 ZINC000429709566 871065865 /nfs/dbraw/zinc/06/58/65/871065865.db2.gz QLOUUFGNJPRTEA-UHFFFAOYSA-N 1 0 385.331 3.500 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000540392898 871159145 /nfs/dbraw/zinc/15/91/45/871159145.db2.gz CWJUMUCYLJXXHM-VXGBXAGGSA-N 1 0 378.822 3.850 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C(C)C)[C@H]2CCOC2)c1C#N ZINC000463218865 871179381 /nfs/dbraw/zinc/17/93/81/871179381.db2.gz MZWCOASMVUMXMB-IBGZPJMESA-N 1 0 398.482 3.543 20 30 GHEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C#N)(c3ccc(Br)cc3)CC1)C2 ZINC001169143177 871251371 /nfs/dbraw/zinc/25/13/71/871251371.db2.gz YUHMFVRADIOABR-REPLKXPHSA-N 1 0 388.353 3.931 20 30 GHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3cc(C#N)cs3)cc2)C[C@H]1C ZINC000540439642 871275208 /nfs/dbraw/zinc/27/52/08/871275208.db2.gz NUYWDIYBQXICSA-CALCHBBNSA-N 1 0 397.544 3.559 20 30 GHEDRO N#CC(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000191511551 882497865 /nfs/dbraw/zinc/49/78/65/882497865.db2.gz QFIUWLIJRLPAGV-QFIPXVFZSA-N 1 0 389.543 3.540 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000525737744 871320953 /nfs/dbraw/zinc/32/09/53/871320953.db2.gz WUENCRUWVCVSIX-UHFFFAOYSA-N 1 0 383.521 3.601 20 30 GHEDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC000181644566 871332085 /nfs/dbraw/zinc/33/20/85/871332085.db2.gz DIIFLUNIECOVDF-AWEZNQCLSA-N 1 0 386.293 3.791 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463270655 871338609 /nfs/dbraw/zinc/33/86/09/871338609.db2.gz YQKZZPCSDUHHFO-WMZHIEFXSA-N 1 0 390.531 3.999 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cccc(C#N)c1 ZINC000181663112 871343156 /nfs/dbraw/zinc/34/31/56/871343156.db2.gz UIOWIFRKISHNET-UHFFFAOYSA-N 1 0 382.395 3.622 20 30 GHEDRO C#CCn1ccc(CN(CC)CCC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC001194008352 871428304 /nfs/dbraw/zinc/42/83/04/871428304.db2.gz IUXPKJDNHUYRTJ-UHFFFAOYSA-N 1 0 378.564 3.683 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(CC#N)CC2)C1 ZINC000618241116 871439506 /nfs/dbraw/zinc/43/95/06/871439506.db2.gz XEXDNCQETHGBBQ-UHFFFAOYSA-N 1 0 378.520 3.560 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(OCC#N)cc2)[NH+]2CCCC2)cc1 ZINC000069821858 871566666 /nfs/dbraw/zinc/56/66/66/871566666.db2.gz VTSGNPKXNREABJ-QFIPXVFZSA-N 1 0 392.503 3.534 20 30 GHEDRO N#CC(CC[NH+]1CCC(Cn2ccnn2)CC1)(c1ccccc1)c1ccccc1 ZINC000191593719 882527551 /nfs/dbraw/zinc/52/75/51/882527551.db2.gz UTENNEIDJZQBOX-UHFFFAOYSA-N 1 0 385.515 3.890 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000539289374 871645339 /nfs/dbraw/zinc/64/53/39/871645339.db2.gz MTFHDOHMIILNSE-UHFFFAOYSA-N 1 0 396.535 3.785 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000540591647 871648398 /nfs/dbraw/zinc/64/83/98/871648398.db2.gz GAADRQOIXJISPF-JOCHJYFZSA-N 1 0 394.519 3.693 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)c1 ZINC000540618326 871735990 /nfs/dbraw/zinc/73/59/90/871735990.db2.gz IIDUCTBLTSJCIN-UHFFFAOYSA-N 1 0 383.467 3.635 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC001169643729 871742167 /nfs/dbraw/zinc/74/21/67/871742167.db2.gz IDYFVPFTGAGJJU-JOCHJYFZSA-N 1 0 382.891 3.641 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001194640709 871845895 /nfs/dbraw/zinc/84/58/95/871845895.db2.gz GVNZNHDRDHTOFQ-OALUTQOASA-N 1 0 384.524 3.812 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001194640710 871846099 /nfs/dbraw/zinc/84/60/99/871846099.db2.gz GVNZNHDRDHTOFQ-RBUKOAKNSA-N 1 0 384.524 3.812 20 30 GHEDRO C=CC[C@H]1[N@H+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CCCC1(C)C ZINC001169845398 871936414 /nfs/dbraw/zinc/93/64/14/871936414.db2.gz UCSGMNHVNIITKI-IAGOWNOFSA-N 1 0 392.540 3.606 20 30 GHEDRO Cc1cc(=O)oc2cc(OCC[N@H+](C)CCOCc3ccc(C#N)cc3)ccc12 ZINC001194792565 871937971 /nfs/dbraw/zinc/93/79/71/871937971.db2.gz VZKIGOVVNSKXLB-UHFFFAOYSA-N 1 0 392.455 3.501 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(Nc2ncc(Br)[nH]c2=O)cc1 ZINC001169853036 871942566 /nfs/dbraw/zinc/94/25/66/871942566.db2.gz ADGXJSRJBDILJQ-AWEZNQCLSA-N 1 0 375.270 3.599 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+]2CCCC2)o1 ZINC000618810838 872017840 /nfs/dbraw/zinc/01/78/40/872017840.db2.gz KDAVEAOSLPQYIN-PMACEKPBSA-N 1 0 378.476 3.583 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460279574 872023095 /nfs/dbraw/zinc/02/30/95/872023095.db2.gz HSLPCQBQDIPIOS-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)CC2)CC1 ZINC000618825014 872029567 /nfs/dbraw/zinc/02/95/67/872029567.db2.gz MPURNQQCGYLXAI-AOMIVXANSA-N 1 0 380.536 3.888 20 30 GHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCCC[NH+](C)C)c2)c1 ZINC000552113608 872038334 /nfs/dbraw/zinc/03/83/34/872038334.db2.gz AHYTZOZFUXZZLK-UHFFFAOYSA-N 1 0 378.472 3.543 20 30 GHEDRO COc1cc(C#N)ccc1COC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000766900202 872047954 /nfs/dbraw/zinc/04/79/54/872047954.db2.gz JJDBOVCMPPSTIA-SFHVURJKSA-N 1 0 382.435 3.661 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618841423 872053159 /nfs/dbraw/zinc/05/31/59/872053159.db2.gz VYVQYOVUJFGSRR-OAQYLSRUSA-N 1 0 398.457 3.597 20 30 GHEDRO C[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618842259 872053762 /nfs/dbraw/zinc/05/37/62/872053762.db2.gz KKHBDHASYLUIPN-WZONZLPQSA-N 1 0 388.515 3.852 20 30 GHEDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)C1 ZINC000775633048 872146325 /nfs/dbraw/zinc/14/63/25/872146325.db2.gz OZKJCHUIUTWIBX-IXDOHACOSA-N 1 0 380.435 3.824 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)c2c1 ZINC000447684298 872161390 /nfs/dbraw/zinc/16/13/90/872161390.db2.gz ADUUNZQGMVWQPX-SFHVURJKSA-N 1 0 391.563 3.835 20 30 GHEDRO COc1ccc(C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000526135943 872165250 /nfs/dbraw/zinc/16/52/50/872165250.db2.gz XJCXINPOQDHGFF-PKOBYXMFSA-N 1 0 399.535 3.647 20 30 GHEDRO C=CCCOc1ccc(C(=O)NCCCP(CCC[NH3+])c2ccccc2)cc1 ZINC001195142282 872197404 /nfs/dbraw/zinc/19/74/04/872197404.db2.gz ZXFARVSMFGJODV-UHFFFAOYSA-N 1 0 398.487 3.918 20 30 GHEDRO N#Cc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC000463663374 872286347 /nfs/dbraw/zinc/28/63/47/872286347.db2.gz LGQQNQVRJGQCHZ-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO CCOc1ccc(C(=O)C(C(=S)Nc2cnn(CC)c2)[n+]2ccccc2)cc1 ZINC000101900328 872354630 /nfs/dbraw/zinc/35/46/30/872354630.db2.gz FECXRFCFYWYHQB-UHFFFAOYSA-O 1 0 395.508 3.640 20 30 GHEDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000619179023 872397086 /nfs/dbraw/zinc/39/70/86/872397086.db2.gz XXFRQCMZZUTZAJ-HZPDHXFCSA-N 1 0 389.565 3.843 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000767378239 872430326 /nfs/dbraw/zinc/43/03/26/872430326.db2.gz HAYHNARHDCEAQG-OAHLLOKOSA-N 1 0 376.781 3.544 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001195580071 872483829 /nfs/dbraw/zinc/48/38/29/872483829.db2.gz ZIXRLOYVPSZQID-QGZVFWFLSA-N 1 0 386.293 3.986 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001195580068 872483942 /nfs/dbraw/zinc/48/39/42/872483942.db2.gz ZIXRLOYVPSZQID-KRWDZBQOSA-N 1 0 386.293 3.986 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC000921150752 882635072 /nfs/dbraw/zinc/63/50/72/882635072.db2.gz RCXCNOYDXVWWPF-GOSISDBHSA-N 1 0 376.504 3.549 20 30 GHEDRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000182693998 872686265 /nfs/dbraw/zinc/68/62/65/872686265.db2.gz RSKRULLETHIMEF-UHFFFAOYSA-N 1 0 381.501 3.504 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001195876393 872731394 /nfs/dbraw/zinc/73/13/94/872731394.db2.gz IUZIEHUIAHNPOD-NHCUHLMSSA-N 1 0 382.479 3.729 20 30 GHEDRO COc1cc(C[NH2+][C@H](CO)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000541029016 872753473 /nfs/dbraw/zinc/75/34/73/872753473.db2.gz TZTQITWBJUPCRA-JOCHJYFZSA-N 1 0 388.467 3.969 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756639 872966911 /nfs/dbraw/zinc/96/69/11/872966911.db2.gz GGOZAFRVWKZOBD-GASCZTMLSA-N 1 0 376.932 3.767 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000619757153 872968837 /nfs/dbraw/zinc/96/88/37/872968837.db2.gz PWUBHNSBBWRZLI-IBGZPJMESA-N 1 0 396.922 3.575 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000619768255 873004832 /nfs/dbraw/zinc/00/48/32/873004832.db2.gz LXISSSOWZBVNQB-FQEVSTJZSA-N 1 0 382.895 3.848 20 30 GHEDRO C[C@@H](CCc1n[nH]c2ccccc12)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541155265 873040318 /nfs/dbraw/zinc/04/03/18/873040318.db2.gz MLKYVYDAVRVRGS-KSFYIVLOSA-N 1 0 387.487 3.541 20 30 GHEDRO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000527354408 873072285 /nfs/dbraw/zinc/07/22/85/873072285.db2.gz ZORWYPJOGSHNPJ-UHFFFAOYSA-N 1 0 384.524 3.540 20 30 GHEDRO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000527385088 873094676 /nfs/dbraw/zinc/09/46/76/873094676.db2.gz MFOABIQEGDDKOQ-SJORKVTESA-N 1 0 379.426 3.836 20 30 GHEDRO C=C(C)COc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1OC ZINC000768244481 873205383 /nfs/dbraw/zinc/20/53/83/873205383.db2.gz MXSHCQDOVFQOIT-QGZVFWFLSA-N 1 0 376.497 3.749 20 30 GHEDRO CN(c1ccc(C(F)(F)F)c(C#N)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000443506978 873221176 /nfs/dbraw/zinc/22/11/76/873221176.db2.gz FOMBDCDTTXXLQP-UHFFFAOYSA-N 1 0 389.425 3.510 20 30 GHEDRO Cc1ccccc1-n1nccc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527525732 873249309 /nfs/dbraw/zinc/24/93/09/873249309.db2.gz JMBPFMYBEAJSAW-UHFFFAOYSA-N 1 0 387.487 3.927 20 30 GHEDRO C[C@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000464134486 873287748 /nfs/dbraw/zinc/28/77/48/873287748.db2.gz JSXRPTBMVDUTBA-QPXQOZNCSA-N 1 0 375.516 3.935 20 30 GHEDRO N#Cc1nc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1C(F)(F)F ZINC000443524186 873388776 /nfs/dbraw/zinc/38/87/76/873388776.db2.gz STXKYUXRQQDWOE-CYBMUJFWSA-N 1 0 380.439 3.780 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)cc1OCCCC#N ZINC000858012118 882718164 /nfs/dbraw/zinc/71/81/64/882718164.db2.gz XBENVNSXOAJISI-LJQANCHMSA-N 1 0 381.476 3.735 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@]2(C#N)CCCOC2)cc1)C[C@@H]1CCCCO1 ZINC000867213953 873486937 /nfs/dbraw/zinc/48/69/37/873486937.db2.gz DCCDTMGGDSNGTO-JTHBVZDNSA-N 1 0 399.535 3.725 20 30 GHEDRO C[C@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)COc2ccccc2O1 ZINC000527738214 873542419 /nfs/dbraw/zinc/54/24/19/873542419.db2.gz XTNATMQYZRJMDQ-QHCPKHFHSA-N 1 0 388.471 3.783 20 30 GHEDRO C#CC[N@@H+](CC)Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000769111030 873817167 /nfs/dbraw/zinc/81/71/67/873817167.db2.gz LFXDBAAZJWQIND-UHFFFAOYSA-N 1 0 386.879 3.821 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000134176956 882770123 /nfs/dbraw/zinc/77/01/23/882770123.db2.gz HAGBTYFYPJHKCF-SJLPKXTDSA-N 1 0 392.425 3.587 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000769302583 873950919 /nfs/dbraw/zinc/95/09/19/873950919.db2.gz SNDORDFNLLMFHH-UHFFFAOYSA-N 1 0 378.472 3.795 20 30 GHEDRO C[N@H+](Cc1ccccc1F)C1CCN(C(=S)Nc2cccc(C#N)c2)CC1 ZINC001197704511 873992189 /nfs/dbraw/zinc/99/21/89/873992189.db2.gz GAIFSFJXRXZQQS-UHFFFAOYSA-N 1 0 382.508 3.991 20 30 GHEDRO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(cc[nH]c3=O)n1)C2 ZINC001109464294 874034136 /nfs/dbraw/zinc/03/41/36/874034136.db2.gz UWXZQLRAOUQAAE-XPGWFJOJSA-N 1 0 382.508 3.641 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000769419146 874034899 /nfs/dbraw/zinc/03/48/99/874034899.db2.gz LCARVYXQLIHCOG-MRXNPFEDSA-N 1 0 378.394 3.526 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc(OC)c1O ZINC000769425374 874049081 /nfs/dbraw/zinc/04/90/81/874049081.db2.gz RFLGOSCFOGAPNX-QAPCUYQASA-N 1 0 390.524 3.864 20 30 GHEDRO CN(CC(F)F)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000769508169 874114158 /nfs/dbraw/zinc/11/41/58/874114158.db2.gz FFIRPEMSXBFSAQ-UHFFFAOYSA-N 1 0 387.478 3.625 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2C[C@H](c3ccccc3)CC2(C)C)c1 ZINC001198289840 874328637 /nfs/dbraw/zinc/32/86/37/874328637.db2.gz UNBSGGYHKSEODO-LJQANCHMSA-N 1 0 375.472 3.584 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)no2)CC1 ZINC000769893379 874357377 /nfs/dbraw/zinc/35/73/77/874357377.db2.gz KOLPUCWDYRRCCX-UHFFFAOYSA-N 1 0 396.491 3.574 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)cc1 ZINC001198346470 874366557 /nfs/dbraw/zinc/36/65/57/874366557.db2.gz OGTXJBKLWKUTFC-HXUWFJFHSA-N 1 0 385.305 3.847 20 30 GHEDRO COc1ccc(-n2cc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)cn2)cc1 ZINC000449022444 874388801 /nfs/dbraw/zinc/38/88/01/874388801.db2.gz JDYSEKCUNHIIJF-UHFFFAOYSA-N 1 0 388.471 3.796 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc1C ZINC001198624334 874555287 /nfs/dbraw/zinc/55/52/87/874555287.db2.gz YHILHIJLURLEMI-GOTSBHOMSA-N 1 0 396.579 3.745 20 30 GHEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000449217283 874606456 /nfs/dbraw/zinc/60/64/56/874606456.db2.gz YBBKSKVHVPLFFI-MNNVXMFVSA-N 1 0 380.448 3.772 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000770378223 874620714 /nfs/dbraw/zinc/62/07/14/874620714.db2.gz AGPUHRSTDLRNQV-UHFFFAOYSA-N 1 0 377.463 3.823 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000464844998 874620745 /nfs/dbraw/zinc/62/07/45/874620745.db2.gz CVQNIWARMCSOSC-FXAWDEMLSA-N 1 0 394.519 3.549 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNCC(C)(C)[NH+]1CCCCC1 ZINC001198943099 874722990 /nfs/dbraw/zinc/72/29/90/874722990.db2.gz RLPOAGHRWKPDJJ-UHFFFAOYSA-N 1 0 379.342 3.815 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CSc3ccccc32)c(-c2ccncc2)n1 ZINC000449367884 874766910 /nfs/dbraw/zinc/76/69/10/874766910.db2.gz ZQMRWYHXGIVARY-GOSISDBHSA-N 1 0 375.501 3.838 20 30 GHEDRO C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000858129832 882866747 /nfs/dbraw/zinc/86/67/47/882866747.db2.gz RABMDWZGNGLDSI-QFIPXVFZSA-N 1 0 393.531 3.643 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000804455042 882868017 /nfs/dbraw/zinc/86/80/17/882868017.db2.gz CAAIIKCLUZJZRI-FYYLOGMGSA-N 1 0 378.491 3.789 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000770801846 874876923 /nfs/dbraw/zinc/87/69/23/874876923.db2.gz KABHHIFBXBNTFH-QGZVFWFLSA-N 1 0 399.560 3.790 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528733970 874983367 /nfs/dbraw/zinc/98/33/67/874983367.db2.gz JZOWESUOSJIBPU-HSZRJFAPSA-N 1 0 375.472 3.747 20 30 GHEDRO CC(C)S(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000528777689 875048474 /nfs/dbraw/zinc/04/84/74/875048474.db2.gz CVXOYWOFGNVYSN-UHFFFAOYSA-N 1 0 398.528 3.536 20 30 GHEDRO CSc1ccc(/C=C\C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000858154215 882892544 /nfs/dbraw/zinc/89/25/44/882892544.db2.gz AMQFHNNWJHGWNM-VURMDHGXSA-N 1 0 383.542 3.699 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000542212221 875161150 /nfs/dbraw/zinc/16/11/50/875161150.db2.gz ITAMVBRCXOOGLR-IBGZPJMESA-N 1 0 380.467 3.925 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1OC ZINC000449655192 875188508 /nfs/dbraw/zinc/18/85/08/875188508.db2.gz GPYMKAIPIAELHO-UIFIKXQLSA-N 1 0 385.508 3.743 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc(OC)c1O ZINC001200864261 875368734 /nfs/dbraw/zinc/36/87/34/875368734.db2.gz USWKIAVFAYNODT-GOSISDBHSA-N 1 0 398.503 3.515 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccnc(SC)c1 ZINC000771882061 875513445 /nfs/dbraw/zinc/51/34/45/875513445.db2.gz QDCWMZGHKCQFLZ-UHFFFAOYSA-N 1 0 377.307 3.868 20 30 GHEDRO CC(C)(C)OC(=O)NCCC=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000771885408 875514467 /nfs/dbraw/zinc/51/44/67/875514467.db2.gz SUABVACWTSXFQN-UHFFFAOYSA-N 1 0 395.916 3.973 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc3c[nH+]cn3c2)c1 ZINC001129553486 882942782 /nfs/dbraw/zinc/94/27/82/882942782.db2.gz CWLYCDPIKSIPJS-UHFFFAOYSA-N 1 0 382.423 3.715 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=S)Nc2ccc(C#N)cc2Br)CC1 ZINC001201120503 875535183 /nfs/dbraw/zinc/53/51/83/875535183.db2.gz GSQUCVIEWZRZHB-UHFFFAOYSA-N 1 0 395.370 3.824 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC001201122163 875536538 /nfs/dbraw/zinc/53/65/38/875536538.db2.gz RJKRLHSSECEXMP-AWEZNQCLSA-N 1 0 393.354 3.578 20 30 GHEDRO CC(C)[NH+](CCNC(=S)Nc1ccc(C#N)cc1Br)C(C)C ZINC001201130872 875540188 /nfs/dbraw/zinc/54/01/88/875540188.db2.gz OAZFMQNNOWLOQA-UHFFFAOYSA-N 1 0 383.359 3.726 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001201313917 875625769 /nfs/dbraw/zinc/62/57/69/875625769.db2.gz DTBRQZWDWSCZOS-SFHVURJKSA-N 1 0 389.858 3.916 20 30 GHEDRO COCc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1C#N ZINC000529211873 875835221 /nfs/dbraw/zinc/83/52/21/875835221.db2.gz PKKPVOJVOZSXOW-HRAATJIYSA-N 1 0 378.476 3.662 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001201874773 875918670 /nfs/dbraw/zinc/91/86/70/875918670.db2.gz FSGYOCWSEOZFGH-QFIPXVFZSA-N 1 0 390.572 3.525 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)c2cccc(C#N)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000450107418 875971729 /nfs/dbraw/zinc/97/17/29/875971729.db2.gz QVKJEJPWVGIOPH-YOEHRIQHSA-N 1 0 398.304 3.714 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000450193716 876059537 /nfs/dbraw/zinc/05/95/37/876059537.db2.gz OGJYOFBTBRBQMC-HNNXBMFYSA-N 1 0 378.314 3.561 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Br)c3cc(C)oc32)CC1 ZINC000785599580 876124749 /nfs/dbraw/zinc/12/47/49/876124749.db2.gz VAVUJJKYVGGAMA-UHFFFAOYSA-N 1 0 389.293 3.721 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2)CC1 ZINC000785641588 876140563 /nfs/dbraw/zinc/14/05/63/876140563.db2.gz LUEMEICDVIDQAM-JOCHJYFZSA-N 1 0 389.503 3.509 20 30 GHEDRO N#Cc1cccc(-c2nnc(COC(=O)c3cccc(C[NH+]4CCCC4)c3)o2)c1 ZINC000785716620 876222791 /nfs/dbraw/zinc/22/27/91/876222791.db2.gz XAZKCCABEBEGOZ-UHFFFAOYSA-N 1 0 388.427 3.561 20 30 GHEDRO N#Cc1ccc(NC(=O)COC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000785719017 876224013 /nfs/dbraw/zinc/22/40/13/876224013.db2.gz ZGFSWRWNILQQHB-UHFFFAOYSA-N 1 0 397.862 3.603 20 30 GHEDRO C[NH+](C)CCN(CCc1ccccc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000785836280 876273281 /nfs/dbraw/zinc/27/32/81/876273281.db2.gz WFXFFFYXFLIGND-UHFFFAOYSA-N 1 0 389.459 3.625 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000450318735 876275644 /nfs/dbraw/zinc/27/56/44/876275644.db2.gz ORITUDVIZVPWCQ-UHFFFAOYSA-N 1 0 379.504 3.564 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)ccc1OC ZINC000179688274 883017947 /nfs/dbraw/zinc/01/79/47/883017947.db2.gz AYZHZBDUYJBGHX-UHFFFAOYSA-N 1 0 386.536 3.875 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccccc1CC#N ZINC000777020520 883018221 /nfs/dbraw/zinc/01/82/21/883018221.db2.gz ZIRJCCMIUSETPA-OALUTQOASA-N 1 0 375.516 3.568 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000108519501 876483261 /nfs/dbraw/zinc/48/32/61/876483261.db2.gz PPTJKHXNFLOYOT-UHFFFAOYSA-N 1 0 381.451 3.624 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cccc(C#N)c1 ZINC000609156443 876678587 /nfs/dbraw/zinc/67/85/87/876678587.db2.gz MAEUCSYVQJLMBD-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C#N)c1Br ZINC000450638883 876719892 /nfs/dbraw/zinc/71/98/92/876719892.db2.gz UQLMYYJCMGGNEG-KDOFPFPSSA-N 1 0 398.304 3.571 20 30 GHEDRO C=CCCC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCCC1 ZINC000850351416 876843195 /nfs/dbraw/zinc/84/31/95/876843195.db2.gz BHCRHGKEUZWROS-MRXNPFEDSA-N 1 0 399.988 3.821 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000787034669 877110979 /nfs/dbraw/zinc/11/09/79/877110979.db2.gz JFQHFOUOEUNBCT-ZHRRBRCNSA-N 1 0 387.483 3.990 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000850721399 877125858 /nfs/dbraw/zinc/12/58/58/877125858.db2.gz QJDHLGRXLUGVBL-FHVRUZERSA-N 1 0 384.520 3.511 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[NH2+]C23CCC3)cc1OCC ZINC000530179077 877267718 /nfs/dbraw/zinc/26/77/18/877267718.db2.gz SQOWYQACGPUUII-QGZVFWFLSA-N 1 0 395.341 3.787 20 30 GHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492667719 877300268 /nfs/dbraw/zinc/30/02/68/877300268.db2.gz FRDUGLNEBAJZFY-ZBFHGGJFSA-N 1 0 392.341 3.838 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@](C)(F)C2)c1C#N ZINC000451119618 877385164 /nfs/dbraw/zinc/38/51/64/877385164.db2.gz HCNYTVXGWCZCPY-NRFANRHFSA-N 1 0 386.471 3.771 20 30 GHEDRO Cc1ccn2cnc(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000851109811 877417834 /nfs/dbraw/zinc/41/78/34/877417834.db2.gz SHIQTVCTDCJCMB-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 ZINC001183075886 912235489 /nfs/dbraw/zinc/23/54/89/912235489.db2.gz HIEHUAAISWHMPE-UHFFFAOYSA-N 1 0 378.451 3.814 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)NCCc1ccc2c(ccn2C(=O)OC(C)(C)C)c1 ZINC001183085565 912241424 /nfs/dbraw/zinc/24/14/24/912241424.db2.gz CALYNYGPHJNPRS-UHFFFAOYSA-N 1 0 397.519 3.735 20 30 GHEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000451249284 877662146 /nfs/dbraw/zinc/66/21/46/877662146.db2.gz BPNSPLQAXLFUDY-PXNSSMCTSA-N 1 0 386.540 3.513 20 30 GHEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000451251612 877666452 /nfs/dbraw/zinc/66/64/52/877666452.db2.gz GDKAWICOUPZIMJ-SFTDATJTSA-N 1 0 380.488 3.739 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCc4cc(F)ccc4C3)CC2)cc1 ZINC001168446415 877669623 /nfs/dbraw/zinc/66/96/23/877669623.db2.gz PUKJACQANRHKCJ-JOCHJYFZSA-N 1 0 392.478 3.841 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000237701776 877815886 /nfs/dbraw/zinc/81/58/86/877815886.db2.gz LZPHWYADYAPSLX-UHFFFAOYSA-N 1 0 383.467 3.635 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451340804 877833731 /nfs/dbraw/zinc/83/37/31/877833731.db2.gz KFPQZNINKAEICZ-FFGOWVMKSA-N 1 0 376.566 3.667 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245430891 877868430 /nfs/dbraw/zinc/86/84/30/877868430.db2.gz AJNAMOODRMNIFK-RTWAWAEBSA-N 1 0 384.568 3.602 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000175752311 877886362 /nfs/dbraw/zinc/88/63/62/877886362.db2.gz RCCAONVDSNKSPS-SFHVURJKSA-N 1 0 394.519 3.635 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(C#N)c1C ZINC000179735740 877930130 /nfs/dbraw/zinc/93/01/30/877930130.db2.gz MWHMLFUCTUVIFA-FQEVSTJZSA-N 1 0 397.500 3.687 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1C#N ZINC000451418057 877944555 /nfs/dbraw/zinc/94/45/55/877944555.db2.gz LXOPRZXBZDREAX-HMXCVIKNSA-N 1 0 398.551 3.656 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1C#N ZINC000451476910 877989540 /nfs/dbraw/zinc/98/95/40/877989540.db2.gz GVNMHPDAMKMLAB-DUXKGJEZSA-N 1 0 398.551 3.823 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000237825932 878097733 /nfs/dbraw/zinc/09/77/33/878097733.db2.gz QVVDNUAMWROKFW-HSZRJFAPSA-N 1 0 379.504 3.532 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000477739902 878114688 /nfs/dbraw/zinc/11/46/88/878114688.db2.gz GJZJWHJYVJBEGW-FXAWDEMLSA-N 1 0 377.479 3.955 20 30 GHEDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CCC2 ZINC000788523332 878131239 /nfs/dbraw/zinc/13/12/39/878131239.db2.gz NNYUTIULJQMKAM-KRWDZBQOSA-N 1 0 378.505 3.791 20 30 GHEDRO C#CCCC1(CCNC(=O)CCC[N@@H+](CC)[C@H](C)Cc2ccc(OC)cc2)N=N1 ZINC001183154207 912314849 /nfs/dbraw/zinc/31/48/49/912314849.db2.gz XKXUTOXBAASLAX-LJQANCHMSA-N 1 0 398.551 3.810 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460554733 878167452 /nfs/dbraw/zinc/16/74/52/878167452.db2.gz JYAPDHOGSCDKHK-OYRHEFFESA-N 1 0 389.503 3.682 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460561705 878187907 /nfs/dbraw/zinc/18/79/07/878187907.db2.gz XDVGAWNQAWPXPV-LJQANCHMSA-N 1 0 376.508 3.560 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)CC1 ZINC000138322097 878209180 /nfs/dbraw/zinc/20/91/80/878209180.db2.gz AFMBVKRYFZUMQN-UHFFFAOYSA-N 1 0 391.487 3.943 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248669744 878244951 /nfs/dbraw/zinc/24/49/51/878244951.db2.gz ATZATRWGCVDGFD-SZNDQCEHSA-N 1 0 381.863 3.670 20 30 GHEDRO COc1ccc(S[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000068310041 878286634 /nfs/dbraw/zinc/28/66/34/878286634.db2.gz CTSOSIIUPNGAKC-KRWDZBQOSA-N 1 0 397.544 3.638 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000537775790 878312620 /nfs/dbraw/zinc/31/26/20/878312620.db2.gz REWHVPYVZLBVST-FYYLOGMGSA-N 1 0 378.472 3.565 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000537775792 878312680 /nfs/dbraw/zinc/31/26/80/878312680.db2.gz REWHVPYVZLBVST-GMAHTHKFSA-N 1 0 378.472 3.565 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110631215 878333370 /nfs/dbraw/zinc/33/33/70/878333370.db2.gz GNHYZGLVFXNADP-UHFFFAOYSA-N 1 0 391.515 3.680 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(CC#N)c3)CC2)cc1 ZINC000455910250 878356023 /nfs/dbraw/zinc/35/60/23/878356023.db2.gz CKXAWLDCBKJPGT-UHFFFAOYSA-N 1 0 392.503 3.795 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000180026027 878360342 /nfs/dbraw/zinc/36/03/42/878360342.db2.gz BMURHJBMRBTUOD-QGZVFWFLSA-N 1 0 378.476 3.895 20 30 GHEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCCOc3cccc(C#N)c3)ccc2NC1=O ZINC000180021138 878378897 /nfs/dbraw/zinc/37/88/97/878378897.db2.gz GYRVPLOBQMZLJF-FOIQADDNSA-N 1 0 379.460 3.787 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852597694 878451600 /nfs/dbraw/zinc/45/16/00/878451600.db2.gz SRXZBIMSPCKCNQ-HGHGUNKESA-N 1 0 390.487 3.505 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)ccc1F ZINC000852600612 878454988 /nfs/dbraw/zinc/45/49/88/878454988.db2.gz JQAGCKQHJQTMLC-INIZCTEOSA-N 1 0 397.416 3.710 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600443 878455070 /nfs/dbraw/zinc/45/50/70/878455070.db2.gz IJWKETRCXVHODR-IBGZPJMESA-N 1 0 393.453 3.880 20 30 GHEDRO CCO[C@@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000122614720 878456710 /nfs/dbraw/zinc/45/67/10/878456710.db2.gz VVIWRBFWXKOJSN-LSDHHAIUSA-N 1 0 375.538 3.717 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000180126944 878537435 /nfs/dbraw/zinc/53/74/35/878537435.db2.gz FRIJLGJSBXWINI-CTNGQTDRSA-N 1 0 380.488 3.608 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852732400 878562230 /nfs/dbraw/zinc/56/22/30/878562230.db2.gz TXGRFXYIDDRWMQ-ZWKOTPCHSA-N 1 0 391.924 3.950 20 30 GHEDRO CC(C)[NH+]1CCN(Cc2ccc(NCc3ccc(C#N)c(F)c3)c(F)c2)CC1 ZINC001170096422 878564576 /nfs/dbraw/zinc/56/45/76/878564576.db2.gz SBVZQWRNVXKUAP-UHFFFAOYSA-N 1 0 384.474 3.975 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC001170096665 878577017 /nfs/dbraw/zinc/57/70/17/878577017.db2.gz YVGGGLUEXBVACT-QAPCUYQASA-N 1 0 392.421 3.880 20 30 GHEDRO C=C(C)Cn1c(CCCC)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460801329 878591976 /nfs/dbraw/zinc/59/19/76/878591976.db2.gz WJUNEWFNLQGMJU-OYRHEFFESA-N 1 0 379.552 3.765 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000852898864 878652205 /nfs/dbraw/zinc/65/22/05/878652205.db2.gz QKBUGEIHKWSCSS-YHAGJJCESA-N 1 0 384.520 3.511 20 30 GHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000530893597 878699542 /nfs/dbraw/zinc/69/95/42/878699542.db2.gz UNPJGRWDNNNSKK-UHFFFAOYSA-N 1 0 390.527 3.659 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451962027 878738941 /nfs/dbraw/zinc/73/89/41/878738941.db2.gz FGFJMUDFVXSSSQ-OXQOHEQNSA-N 1 0 375.513 3.680 20 30 GHEDRO N#Cc1ncc(Br)cc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000853160969 878855127 /nfs/dbraw/zinc/85/51/27/878855127.db2.gz UHPOMSUUUTXOPU-UHFFFAOYSA-N 1 0 377.330 3.808 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC2CCOCC2)cc1 ZINC000068866609 879105220 /nfs/dbraw/zinc/10/52/20/879105220.db2.gz FDJFTAJWHVFWSG-UHFFFAOYSA-O 1 0 397.564 3.915 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1=S ZINC000853560613 879113616 /nfs/dbraw/zinc/11/36/16/879113616.db2.gz POALEKJUEBTJEQ-FQEVSTJZSA-N 1 0 397.592 3.684 20 30 GHEDRO C=CCn1c(=S)n(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)nc1C1CC1 ZINC000795693190 912419540 /nfs/dbraw/zinc/41/95/40/912419540.db2.gz HJBYSFNEOSVQEW-VAMGGRTRSA-N 1 0 396.560 3.939 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000068885311 879138987 /nfs/dbraw/zinc/13/89/87/879138987.db2.gz KOLNQXLYCHMJEM-FQEVSTJZSA-N 1 0 380.492 3.932 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000538270459 879157233 /nfs/dbraw/zinc/15/72/33/879157233.db2.gz WGJYUKPEZOZKSL-UHFFFAOYSA-N 1 0 379.504 3.631 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000531145678 879234932 /nfs/dbraw/zinc/23/49/32/879234932.db2.gz CRWAVEGVVCEPFZ-KDURUIRLSA-N 1 0 375.516 3.895 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000461210953 879357537 /nfs/dbraw/zinc/35/75/37/879357537.db2.gz IKTVHMPDEUBXFN-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000493761858 879620535 /nfs/dbraw/zinc/62/05/35/879620535.db2.gz GECBSRHHZFTBCG-SFHVURJKSA-N 1 0 392.503 3.890 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493894314 879724241 /nfs/dbraw/zinc/72/42/41/879724241.db2.gz NDKVMQNAFAPLKX-IEBWSBKVSA-N 1 0 375.806 3.551 20 30 GHEDRO CCN(CC)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000538576998 879752026 /nfs/dbraw/zinc/75/20/26/879752026.db2.gz ISZLPAXDGZVXNH-UHFFFAOYSA-N 1 0 378.520 3.608 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc([S@](C)(=N)=O)cc1)C(C)C ZINC000888485575 879790349 /nfs/dbraw/zinc/79/03/49/879790349.db2.gz YXXUVYVIKXJWNZ-HFJWLAOPSA-N 1 0 378.542 3.542 20 30 GHEDRO C=C(C)COCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000494020108 879829597 /nfs/dbraw/zinc/82/95/97/879829597.db2.gz LHAIGWPAYWWJNF-QFIPXVFZSA-N 1 0 387.545 3.979 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)Cc2ccccc2CC#N)c2cccs2)CC1 ZINC000776744680 879855473 /nfs/dbraw/zinc/85/54/73/879855473.db2.gz ZXDFRAHWOXOFNW-HXUWFJFHSA-N 1 0 381.545 3.946 20 30 GHEDRO COc1cc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000854532587 879886153 /nfs/dbraw/zinc/88/61/53/879886153.db2.gz YHLBFHTZEZDUFV-LJQANCHMSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CC[C@@]1(C(=O)NC2CC[NH+](CCCC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790618571 879890122 /nfs/dbraw/zinc/89/01/22/879890122.db2.gz XLCPPJSSBKIBPS-QFIPXVFZSA-N 1 0 393.572 3.713 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609165612 879929938 /nfs/dbraw/zinc/92/99/38/879929938.db2.gz MDZJTIADKOWZNG-UHFFFAOYSA-N 1 0 386.499 3.868 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CCCN1C(=O)OC(C)(C)C ZINC000790697988 879933422 /nfs/dbraw/zinc/93/34/22/879933422.db2.gz LTHGZOLPENYYCL-GCJKJVERSA-N 1 0 393.572 3.523 20 30 GHEDRO C=CC[C@]1(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)CCCN1C(=O)OC(C)(C)C ZINC000790683852 879955199 /nfs/dbraw/zinc/95/51/99/879955199.db2.gz RSRHBTOWERNVGI-XMSQKQJNSA-N 1 0 393.572 3.523 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cccc(F)c3CC#N)nc3ccc(C)cc3n12 ZINC001170147853 880175816 /nfs/dbraw/zinc/17/58/16/880175816.db2.gz JBGSLAVJHNUKGS-UHFFFAOYSA-N 1 0 388.450 3.801 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(S[C@@H](C)CC)cc2C)CC1 ZINC000173274654 880294411 /nfs/dbraw/zinc/29/44/11/880294411.db2.gz BIYDYZRXLOQYKU-INIZCTEOSA-N 1 0 389.565 3.591 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)CC1 ZINC000855345516 880470727 /nfs/dbraw/zinc/47/07/27/880470727.db2.gz SOHFYNRQTDHTMC-UHFFFAOYSA-N 1 0 395.315 3.796 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCSC[C@@H]1c1nccs1)C(C)C ZINC000185156587 880492113 /nfs/dbraw/zinc/49/21/13/880492113.db2.gz KQNMIHVFRQKHLL-IAGOWNOFSA-N 1 0 394.610 3.641 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000776829637 880729448 /nfs/dbraw/zinc/72/94/48/880729448.db2.gz WUXKUMUUOCLJDK-XJKSGUPXSA-N 1 0 381.423 3.506 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000453442615 880904695 /nfs/dbraw/zinc/90/46/95/880904695.db2.gz PMZNEXIORKRNRO-UXHICEINSA-N 1 0 387.572 3.798 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000453435696 880940184 /nfs/dbraw/zinc/94/01/84/880940184.db2.gz GXZYMZVRYHYGTF-RTWAWAEBSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453459984 880960059 /nfs/dbraw/zinc/96/00/59/880960059.db2.gz DEBUUJIUBKTATP-LEWJYISDSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453459990 880960195 /nfs/dbraw/zinc/96/01/95/880960195.db2.gz DEBUUJIUBKTATP-SFTDATJTSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453449996 881004893 /nfs/dbraw/zinc/00/48/93/881004893.db2.gz GXJBJKMCLIUKQJ-QWFCFKBJSA-N 1 0 395.551 3.696 20 30 GHEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nc1Cl ZINC000856170062 881006545 /nfs/dbraw/zinc/00/65/45/881006545.db2.gz ZRAKUOYJJVKLCE-GOSISDBHSA-N 1 0 394.906 3.639 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000113966700 881017377 /nfs/dbraw/zinc/01/73/77/881017377.db2.gz BOBJZTLPOJAGDP-FQEVSTJZSA-N 1 0 386.540 3.821 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000113970694 881018991 /nfs/dbraw/zinc/01/89/91/881018991.db2.gz JWLHZGRJUDWXCU-FQEVSTJZSA-N 1 0 386.540 3.679 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000792326717 881049539 /nfs/dbraw/zinc/04/95/39/881049539.db2.gz MHLVYCAWWGTUDV-FQEVSTJZSA-N 1 0 399.535 3.705 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000114022625 881056555 /nfs/dbraw/zinc/05/65/55/881056555.db2.gz KBCVUICDOPFOJL-LRXVAGHRSA-N 1 0 386.540 3.677 20 30 GHEDRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C#N)cc2OC)cn1 ZINC000792366473 881058521 /nfs/dbraw/zinc/05/85/21/881058521.db2.gz VAYCEPNLFUQLJB-QFIPXVFZSA-N 1 0 390.487 3.519 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)c(C)c(Br)c3)C2)C1=O ZINC001275213177 912647443 /nfs/dbraw/zinc/64/74/43/912647443.db2.gz QCJFKIMIBZRSAO-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155136992 881183465 /nfs/dbraw/zinc/18/34/65/881183465.db2.gz JJPMYARHTMCICB-UHFFFAOYSA-N 1 0 397.273 3.519 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1O ZINC000919939454 881214352 /nfs/dbraw/zinc/21/43/52/881214352.db2.gz UXOJKTGMTLDJKM-UHFFFAOYSA-N 1 0 397.475 3.750 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000120119069 881270825 /nfs/dbraw/zinc/27/08/25/881270825.db2.gz BLMSPOXUHAFRRQ-NRFANRHFSA-N 1 0 388.515 3.821 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)CC1 ZINC000919966687 881299677 /nfs/dbraw/zinc/29/96/77/881299677.db2.gz QEWKUYXNMYSZHH-UHFFFAOYSA-N 1 0 391.443 3.695 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000761668038 883175400 /nfs/dbraw/zinc/17/54/00/883175400.db2.gz IIKIQXNSSDLLRN-GOSISDBHSA-N 1 0 396.466 3.762 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000135117694 883215662 /nfs/dbraw/zinc/21/56/62/883215662.db2.gz PUMVEXWGLAZRFP-UHFFFAOYSA-N 1 0 379.479 3.975 20 30 GHEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](n2cncn2)C1 ZINC000551086840 883263710 /nfs/dbraw/zinc/26/37/10/883263710.db2.gz YDBAVUKNILKDDO-KSKXLQEQSA-N 1 0 379.508 3.859 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000609516817 883287461 /nfs/dbraw/zinc/28/74/61/883287461.db2.gz QQGFDVRUXVHQRZ-UHFFFAOYSA-N 1 0 378.476 3.597 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000609521423 883295712 /nfs/dbraw/zinc/29/57/12/883295712.db2.gz CJXFOTLOLLFNMG-UHFFFAOYSA-N 1 0 378.476 3.692 20 30 GHEDRO CCC(CC)(CNC(=O)COc1ccccc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000609550201 883362717 /nfs/dbraw/zinc/36/27/17/883362717.db2.gz VGNUZCJSINESTM-SFHVURJKSA-N 1 0 379.504 3.963 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000804908906 883442044 /nfs/dbraw/zinc/44/20/44/883442044.db2.gz KOOYRCUXMVWJLF-DEOSSOPVSA-N 1 0 389.543 3.627 20 30 GHEDRO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N[C@H]2CC[C@@H]([NH+](CC)CC)CC2)C1 ZINC001183627258 912711256 /nfs/dbraw/zinc/71/12/56/912711256.db2.gz PQSJBGQHNHFZQX-SVMVAKDDSA-N 1 0 393.572 3.711 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000609661475 883500754 /nfs/dbraw/zinc/50/07/54/883500754.db2.gz XNFOCPFQWMEVOL-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CC[NH+](C)CC1 ZINC000609664193 883507878 /nfs/dbraw/zinc/50/78/78/883507878.db2.gz XDDHDGNSKIWCFJ-KRWDZBQOSA-N 1 0 377.488 3.597 20 30 GHEDRO C[C@@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCOC1(C)C ZINC000476982710 883537779 /nfs/dbraw/zinc/53/77/79/883537779.db2.gz JGOFNPYPDSOGSI-AWEZNQCLSA-N 1 0 375.538 3.717 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000805172700 883653528 /nfs/dbraw/zinc/65/35/28/883653528.db2.gz YVBWKUKKKFATJM-HUVFLSCGSA-N 1 0 389.543 3.831 20 30 GHEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC000192691681 883662175 /nfs/dbraw/zinc/66/21/75/883662175.db2.gz ODARSJRPJUPFEJ-GHTZIAJQSA-N 1 0 393.510 3.719 20 30 GHEDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000609779096 883672151 /nfs/dbraw/zinc/67/21/51/883672151.db2.gz QCXXHQMSCTYODA-PPXMBRMGSA-N 1 0 396.535 3.516 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000805397779 883788924 /nfs/dbraw/zinc/78/89/24/883788924.db2.gz VTYUAEJSZJDAEI-DYESRHJHSA-N 1 0 399.897 3.975 20 30 GHEDRO C=C[C@H](CC)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001130169787 883801007 /nfs/dbraw/zinc/80/10/07/883801007.db2.gz YZIUDLJJVKMLLH-CQSZACIVSA-N 1 0 382.346 3.988 20 30 GHEDRO COc1ccc([C@H](NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)C(C)C)cc1 ZINC000551412633 883829217 /nfs/dbraw/zinc/82/92/17/883829217.db2.gz ZXYIUVPWHVTYAM-JOCHJYFZSA-N 1 0 377.488 3.659 20 30 GHEDRO N#Cc1cccc([C@@H]2CN(C(=O)NCCCCCCC[NH+]3CCCC3)CCO2)c1 ZINC000761725732 883829620 /nfs/dbraw/zinc/82/96/20/883829620.db2.gz JFXNIMMBVIULRH-QFIPXVFZSA-N 1 0 398.551 3.687 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000897602874 884040278 /nfs/dbraw/zinc/04/02/78/884040278.db2.gz YDSXPLRSPYEYOZ-UHFFFAOYSA-N 1 0 388.467 3.975 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1F ZINC000805778448 884060082 /nfs/dbraw/zinc/06/00/82/884060082.db2.gz BNWQGASUJWHINZ-GKCIPKSASA-N 1 0 389.902 3.812 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)Cc2cccc(OCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000760407373 884067920 /nfs/dbraw/zinc/06/79/20/884067920.db2.gz SFKOEZGWRPSKNH-SIKLNZKXSA-N 1 0 391.515 3.548 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@H](O)C(F)(F)F ZINC000498349840 884140490 /nfs/dbraw/zinc/14/04/90/884140490.db2.gz LKYVSZNHLDJTJR-OALUTQOASA-N 1 0 378.394 3.929 20 30 GHEDRO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)CC(C)C ZINC000026450215 884190050 /nfs/dbraw/zinc/19/00/50/884190050.db2.gz DAVUHEMXNIRYLR-UHFFFAOYSA-N 1 0 396.535 3.568 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000761772023 884206947 /nfs/dbraw/zinc/20/69/47/884206947.db2.gz HIFQXQVTYIGFTM-LJQANCHMSA-N 1 0 388.511 3.625 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[NH+]1CCC(C)CC1 ZINC000102752595 884404637 /nfs/dbraw/zinc/40/46/37/884404637.db2.gz MDSZTCUVXPVBLT-KRWDZBQOSA-N 1 0 381.476 3.580 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C(F)(F)F)cn2)C(=S)NC2CC2)cc1 ZINC000286612805 912827708 /nfs/dbraw/zinc/82/77/08/912827708.db2.gz VLBODWXRPGHWDK-UHFFFAOYSA-O 1 0 394.442 3.641 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000495061746 884478548 /nfs/dbraw/zinc/47/85/48/884478548.db2.gz DFVSIAXJXSZYCK-AVRDEDQJSA-N 1 0 387.545 3.571 20 30 GHEDRO Cc1ccc(Br)cc1CN1CCC[C@]12CCN(CCCC#N)C2=O ZINC001275248843 912832298 /nfs/dbraw/zinc/83/22/98/912832298.db2.gz SLONTSOGFZGCBS-LJQANCHMSA-N 1 0 390.325 3.628 20 30 GHEDRO CN(C(=O)c1[nH]c2ccccc2c1C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000897942799 884521040 /nfs/dbraw/zinc/52/10/40/884521040.db2.gz KWDBWIIHYVRSIA-UHFFFAOYSA-N 1 0 378.398 3.528 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000806307773 884550505 /nfs/dbraw/zinc/55/05/05/884550505.db2.gz VUYBSXSRYKTSON-QFIPXVFZSA-N 1 0 391.515 3.677 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000806310004 884555360 /nfs/dbraw/zinc/55/53/60/884555360.db2.gz OQLJZDBHTWLIIM-VQTJNVASSA-N 1 0 381.545 3.819 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000194791235 884582135 /nfs/dbraw/zinc/58/21/35/884582135.db2.gz GBJCPTLJFSOZFW-UHFFFAOYSA-N 1 0 397.548 3.879 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C(C2CC2)C2CC2)c1C#N ZINC000050989272 884601583 /nfs/dbraw/zinc/60/15/83/884601583.db2.gz UAHJOROUOHHXNX-UHFFFAOYSA-N 1 0 380.492 3.677 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000495126424 884604178 /nfs/dbraw/zinc/60/41/78/884604178.db2.gz HCSXBAISEGCPPR-WBVHZDCISA-N 1 0 395.341 3.549 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102954942 884653239 /nfs/dbraw/zinc/65/32/39/884653239.db2.gz LJJFWYHGDQGITQ-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO CN(C(=O)NCc1ccc(C#N)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459121080 884656398 /nfs/dbraw/zinc/65/63/98/884656398.db2.gz NDKUTRUOWIJGHP-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1ccc(C)cc1 ZINC000127610001 884715612 /nfs/dbraw/zinc/71/56/12/884715612.db2.gz JTDMDVXACUBXHZ-UHFFFAOYSA-O 1 0 385.553 3.656 20 30 GHEDRO C#Cc1cncc(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)c1 ZINC000806610239 884849596 /nfs/dbraw/zinc/84/95/96/884849596.db2.gz MKUUQUIGSCPCJU-LJQANCHMSA-N 1 0 389.421 3.895 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000106034436 884934163 /nfs/dbraw/zinc/93/41/63/884934163.db2.gz RWXSXYJSYUDGIY-UHFFFAOYSA-N 1 0 383.536 3.675 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000106036916 884936259 /nfs/dbraw/zinc/93/62/59/884936259.db2.gz WKGZUANOASPQTM-UHFFFAOYSA-N 1 0 380.463 3.827 20 30 GHEDRO C=CCC1(O)CC[NH+](Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC001183895433 912878575 /nfs/dbraw/zinc/87/85/75/912878575.db2.gz BOAWDXSVSGOXCA-UHFFFAOYSA-N 1 0 390.325 3.846 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000556457723 884992516 /nfs/dbraw/zinc/99/25/16/884992516.db2.gz SVJNBCWFCCRYOR-UHFFFAOYSA-N 1 0 378.524 3.710 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000106274988 885025581 /nfs/dbraw/zinc/02/55/81/885025581.db2.gz VEGOYMFLOLTXMD-GOSISDBHSA-N 1 0 392.341 3.776 20 30 GHEDRO N#C[C@H]1CCC[C@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000860826265 885032082 /nfs/dbraw/zinc/03/20/82/885032082.db2.gz VSJJGYWVHQQWAB-VNTMZGSJSA-N 1 0 395.528 3.984 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000106340963 885038074 /nfs/dbraw/zinc/03/80/74/885038074.db2.gz CDMSLUUURPSDIN-NRFANRHFSA-N 1 0 389.515 3.557 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000806917274 885087769 /nfs/dbraw/zinc/08/77/69/885087769.db2.gz IDIMSCQZZSJQML-NFBKMPQASA-N 1 0 375.516 3.742 20 30 GHEDRO COc1cccc(Cl)c1CN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001275276721 912911758 /nfs/dbraw/zinc/91/17/58/912911758.db2.gz LNNFNGUSNAPFQR-HXUWFJFHSA-N 1 0 375.900 3.609 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460387679 885233912 /nfs/dbraw/zinc/23/39/12/885233912.db2.gz PUZYVZWBHOWYAY-UHFFFAOYSA-N 1 0 383.540 3.582 20 30 GHEDRO Cc1cccc([C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)N2CCOCC2)c1 ZINC000237785702 885262180 /nfs/dbraw/zinc/26/21/80/885262180.db2.gz DHUMQZFMPIRENL-XMMPIXPASA-N 1 0 393.531 3.841 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807466761 885461847 /nfs/dbraw/zinc/46/18/47/885461847.db2.gz FICBKWMRAKRYLM-PKTZIBPZSA-N 1 0 375.516 3.537 20 30 GHEDRO N#Cc1cnc(NC(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC001183983822 912941838 /nfs/dbraw/zinc/94/18/38/912941838.db2.gz ZUXGOESISIIHIX-UHFFFAOYSA-N 1 0 385.471 3.769 20 30 GHEDRO C=CCCCCCCCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000807591845 885583906 /nfs/dbraw/zinc/58/39/06/885583906.db2.gz ISEXEOVLTPISDY-RTWAWAEBSA-N 1 0 378.605 3.571 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC000153471793 885774956 /nfs/dbraw/zinc/77/49/56/885774956.db2.gz ALWIUWOQNJIQRT-PMACEKPBSA-N 1 0 378.516 3.770 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000110489896 885824203 /nfs/dbraw/zinc/82/42/03/885824203.db2.gz CBNURZVICRPAMI-UHFFFAOYSA-N 1 0 392.459 3.833 20 30 GHEDRO N#CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)C1=O ZINC001275286960 913000867 /nfs/dbraw/zinc/00/08/67/913000867.db2.gz IHDKHZSOLOAENZ-LJQANCHMSA-N 1 0 394.302 3.638 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1=S ZINC000808191039 886084914 /nfs/dbraw/zinc/08/49/14/886084914.db2.gz LSRLIYKLLOSRMI-ICSRJNTNSA-N 1 0 397.592 3.707 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476494812 886104526 /nfs/dbraw/zinc/10/45/26/886104526.db2.gz USIYMBQYSAFSPZ-KMFTYDHNSA-N 1 0 398.551 3.812 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(-c2ccccc2)n1 ZINC000556782340 886129696 /nfs/dbraw/zinc/12/96/96/886129696.db2.gz GVOWKEVZTUELOG-FCHUYYIVSA-N 1 0 378.520 3.837 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@H](C3CC3)C2)c1=S ZINC000808230689 886141936 /nfs/dbraw/zinc/14/19/36/886141936.db2.gz NRLIQZASYTXZAK-IBGZPJMESA-N 1 0 389.613 3.708 20 30 GHEDRO Cc1nc2ccccc2nc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000265115882 886147384 /nfs/dbraw/zinc/14/73/84/886147384.db2.gz IOYYCTRJKGYOTM-UHFFFAOYSA-N 1 0 385.471 3.661 20 30 GHEDRO N#Cc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000762439405 886225732 /nfs/dbraw/zinc/22/57/32/886225732.db2.gz RXYZGXKTAVZVGW-UHFFFAOYSA-O 1 0 376.505 3.688 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000808323165 886255195 /nfs/dbraw/zinc/25/51/95/886255195.db2.gz FVBXBCDFLYSAAU-RAXLEYEMSA-N 1 0 389.499 3.727 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cc2ccccc2o1 ZINC000499052172 886476457 /nfs/dbraw/zinc/47/64/57/886476457.db2.gz COWUGLAZUCUSJE-UHFFFAOYSA-N 1 0 375.472 3.827 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000556898868 886565746 /nfs/dbraw/zinc/56/57/46/886565746.db2.gz TYMOZUCCUYUCJH-HBUWYVDXSA-N 1 0 397.548 3.993 20 30 GHEDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1O ZINC000808716484 886698868 /nfs/dbraw/zinc/69/88/68/886698868.db2.gz OHNJMRKLTPTRTO-IFXJQAMLSA-N 1 0 383.879 3.677 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000808792701 886787634 /nfs/dbraw/zinc/78/76/34/886787634.db2.gz MURMVSDFBKGGJS-GOSISDBHSA-N 1 0 391.471 3.504 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc(F)c(C#N)c1 ZINC000808828120 886832024 /nfs/dbraw/zinc/83/20/24/886832024.db2.gz GPNQSDLWZUHGGP-UHFFFAOYSA-N 1 0 397.450 3.757 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000287081791 913086478 /nfs/dbraw/zinc/08/64/78/913086478.db2.gz KOQUAAQUXUSWGX-UHFFFAOYSA-N 1 0 390.487 3.774 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000863554804 887208067 /nfs/dbraw/zinc/20/80/67/887208067.db2.gz IPGNRZIKSYXCKD-CZUORRHYSA-N 1 0 393.270 3.718 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)cc1 ZINC000119671585 887410554 /nfs/dbraw/zinc/41/05/54/887410554.db2.gz LTAUGXNNIJPKLX-SFHVURJKSA-N 1 0 379.504 3.794 20 30 GHEDRO C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(O)cc1 ZINC001184289507 913139789 /nfs/dbraw/zinc/13/97/89/913139789.db2.gz XFJOJCFBNFDDCA-MAODMQOUSA-N 1 0 377.488 3.666 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000809607306 887576976 /nfs/dbraw/zinc/57/69/76/887576976.db2.gz WGPRSLABVJWIRI-QFIPXVFZSA-N 1 0 376.500 3.910 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](O)c1ccccc1 ZINC000794603374 887666521 /nfs/dbraw/zinc/66/65/21/887666521.db2.gz LGULCQFGMGFFCN-KPOBHBOGSA-N 1 0 397.544 3.783 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc2ccccc2n1CC#N ZINC000729652383 887699284 /nfs/dbraw/zinc/69/92/84/887699284.db2.gz TXMLJGZLWJQGOJ-SIKLNZKXSA-N 1 0 384.483 3.921 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)CC1 ZINC000171740454 887708494 /nfs/dbraw/zinc/70/84/94/887708494.db2.gz DEHHVSFLCQGVKI-UHFFFAOYSA-N 1 0 396.535 3.716 20 30 GHEDRO C#CCCOc1ccc(CN(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000809735411 887716585 /nfs/dbraw/zinc/71/65/85/887716585.db2.gz GBRYEGYHDZUEMK-QHCPKHFHSA-N 1 0 377.532 3.970 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000794656325 887732422 /nfs/dbraw/zinc/73/24/22/887732422.db2.gz FUMUQZVSEUJQLH-RPWUZVMVSA-N 1 0 385.467 3.951 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3Cc4ccc(OC)cc4C3)C2)CC1 ZINC001168264347 887760841 /nfs/dbraw/zinc/76/08/41/887760841.db2.gz RSQGISFBDMMINB-FQEVSTJZSA-N 1 0 384.520 3.663 20 30 GHEDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000809779446 887829690 /nfs/dbraw/zinc/82/96/90/887829690.db2.gz NXURYJMIIYWJGU-NRFANRHFSA-N 1 0 393.487 3.848 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3nccc4sccc43)CC2)cc1 ZINC000809787235 887841104 /nfs/dbraw/zinc/84/11/04/887841104.db2.gz WXGLYFFMUYJFRV-UHFFFAOYSA-N 1 0 391.544 3.968 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1C ZINC000810009306 888075945 /nfs/dbraw/zinc/07/59/45/888075945.db2.gz WLOIHVVENGBOTM-UPVQGACJSA-N 1 0 390.531 3.585 20 30 GHEDRO CN(c1ccc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)cc1)C1CC[NH+](C)CC1 ZINC000864946188 888093901 /nfs/dbraw/zinc/09/39/01/888093901.db2.gz JUMFMMOZUMDJDW-UHFFFAOYSA-N 1 0 387.487 3.822 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810126830 888190815 /nfs/dbraw/zinc/19/08/15/888190815.db2.gz NFHXZVONIZPHRR-QGZVFWFLSA-N 1 0 390.487 3.755 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000810189354 888274729 /nfs/dbraw/zinc/27/47/29/888274729.db2.gz OWOHFWNJUHXAHE-WDMOLILDSA-N 1 0 392.359 3.788 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532700996 888342661 /nfs/dbraw/zinc/34/26/61/888342661.db2.gz SYQRULZLJYGRNV-XAPVIXHLSA-N 1 0 382.552 3.659 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC000763234767 888376779 /nfs/dbraw/zinc/37/67/79/888376779.db2.gz GXQQTSRXLIHWSM-HXUWFJFHSA-N 1 0 378.472 3.812 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000205555692 888461039 /nfs/dbraw/zinc/46/10/39/888461039.db2.gz CPPBWEFWJZYGSX-CCCPALQASA-N 1 0 386.517 3.754 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc3ccccc3c2Br)CC1 ZINC000810428529 888496360 /nfs/dbraw/zinc/49/63/60/888496360.db2.gz DVHVJBKRXYAQIL-UHFFFAOYSA-N 1 0 391.334 3.881 20 30 GHEDRO Cc1c(Br)cncc1C[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000865696296 888520634 /nfs/dbraw/zinc/52/06/34/888520634.db2.gz YNARHJHGBYYSIG-UHFFFAOYSA-N 1 0 385.309 3.783 20 30 GHEDRO COc1ccc(C(C)=NNCC[NH+]2CCCCC2)cc1CSc1ncccn1 ZINC000915973509 888591374 /nfs/dbraw/zinc/59/13/74/888591374.db2.gz KGFHZODFEBQYEA-UHFFFAOYSA-N 1 0 399.564 3.577 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)CC1 ZINC000747622388 888740712 /nfs/dbraw/zinc/74/07/12/888740712.db2.gz MRGLLGBURZSTLC-UHFFFAOYSA-N 1 0 381.473 3.895 20 30 GHEDRO CCC[NH+](CCC)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000509673376 888759709 /nfs/dbraw/zinc/75/97/09/888759709.db2.gz OFEGCGSVFAVVBT-UHFFFAOYSA-N 1 0 386.540 3.623 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(C#N)cc1F ZINC000609240759 888824819 /nfs/dbraw/zinc/82/48/19/888824819.db2.gz NDHNRBYFMFNDBX-KRWDZBQOSA-N 1 0 395.478 3.881 20 30 GHEDRO C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000866347131 888839579 /nfs/dbraw/zinc/83/95/79/888839579.db2.gz QSLHHKIBHSMIMU-KOSHJBKYSA-N 1 0 398.510 3.818 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000532747248 888841886 /nfs/dbraw/zinc/84/18/86/888841886.db2.gz RFUCWUFHUUFILX-PWRODBHTSA-N 1 0 383.536 3.687 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000810821948 888909328 /nfs/dbraw/zinc/90/93/28/888909328.db2.gz OJLTXYQJSDIJNL-OAQYLSRUSA-N 1 0 382.439 3.897 20 30 GHEDRO Cn1c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc2cc(Cl)ccc21 ZINC000532785632 888940877 /nfs/dbraw/zinc/94/08/77/888940877.db2.gz YZMXUQSZFJFLSI-MRXNPFEDSA-N 1 0 397.885 3.996 20 30 GHEDRO Cc1nc(-c2ccc(CNC(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)s2)cs1 ZINC000867955392 889236797 /nfs/dbraw/zinc/23/67/97/889236797.db2.gz ZSEPTXUYRODWTP-IBGZPJMESA-N 1 0 394.525 3.555 20 30 GHEDRO CC1CCC([N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)CC1 ZINC000532919637 889328687 /nfs/dbraw/zinc/32/86/87/889328687.db2.gz WSALBMGIZQMOET-UHFFFAOYSA-N 1 0 377.492 3.726 20 30 GHEDRO CCC[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1ccc(C#N)cc1 ZINC000532921869 889334627 /nfs/dbraw/zinc/33/46/27/889334627.db2.gz SANGPFKSFCCRAA-UHFFFAOYSA-N 1 0 378.476 3.735 20 30 GHEDRO CCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000532948868 889360512 /nfs/dbraw/zinc/36/05/12/889360512.db2.gz RPPMGGDXBJUTTA-AVRDEDQJSA-N 1 0 376.504 3.654 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000454693775 889530592 /nfs/dbraw/zinc/53/05/92/889530592.db2.gz UFINGYRRIFGAQG-UHFFFAOYSA-N 1 0 389.543 3.950 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000533052875 889630670 /nfs/dbraw/zinc/63/06/70/889630670.db2.gz VGGXLZXVGWDOAS-KURKYZTESA-N 1 0 386.565 3.578 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC000122378528 889713769 /nfs/dbraw/zinc/71/37/69/889713769.db2.gz BXJMULOOFFKPRN-UHFFFAOYSA-N 1 0 376.504 3.814 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C(F)(F)F ZINC001168516904 889842389 /nfs/dbraw/zinc/84/23/89/889842389.db2.gz BVEDRLSOSJBOQN-JKSUJKDBSA-N 1 0 383.414 3.978 20 30 GHEDRO C=CCCCCC[N@H+]1CC[C@]2(C1)CN(C[C@H](C)CC(F)(F)F)C(=O)CO2 ZINC001275329094 913389490 /nfs/dbraw/zinc/38/94/90/913389490.db2.gz MAJKJJMJCHPGLN-AEFFLSMTSA-N 1 0 376.463 3.625 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc(OCC#N)cc1 ZINC000245866667 889888855 /nfs/dbraw/zinc/88/88/55/889888855.db2.gz IRXGAPZYKVPGRE-USCONSEESA-N 1 0 399.922 3.965 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 ZINC000125291481 889940499 /nfs/dbraw/zinc/94/04/99/889940499.db2.gz LGMLLTHRAKKAMU-HDICACEKSA-N 1 0 392.503 3.684 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](NC(=[NH2+])c2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC001168519112 889977560 /nfs/dbraw/zinc/97/75/60/889977560.db2.gz PTGXTUCKRKSAMG-LSDHHAIUSA-N 1 0 396.413 3.594 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000811874319 890068062 /nfs/dbraw/zinc/06/80/62/890068062.db2.gz KFASWVBCVAWSHL-SIKLNZKXSA-N 1 0 395.934 3.878 20 30 GHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000533254730 890104817 /nfs/dbraw/zinc/10/48/17/890104817.db2.gz ORTMDCDSORYFIJ-UHFFFAOYSA-N 1 0 380.879 3.878 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000533260232 890123297 /nfs/dbraw/zinc/12/32/97/890123297.db2.gz PLSFPLLVWITQFQ-MRXNPFEDSA-N 1 0 377.473 3.516 20 30 GHEDRO C[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000533294282 890214047 /nfs/dbraw/zinc/21/40/47/890214047.db2.gz RVJOKJFRQOUITR-INIZCTEOSA-N 1 0 397.544 3.710 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)CSc1ccc(C#N)cc1)Cc1ccccc12 ZINC000870183036 890248909 /nfs/dbraw/zinc/24/89/09/890248909.db2.gz QMRMHEWHLIMEBT-UHFFFAOYSA-N 1 0 391.540 3.656 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)cc1 ZINC000916839808 890277608 /nfs/dbraw/zinc/27/76/08/890277608.db2.gz HRPNYTZKUNWJLW-UHFFFAOYSA-N 1 0 399.498 3.974 20 30 GHEDRO C[C@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000795122874 890359955 /nfs/dbraw/zinc/35/99/55/890359955.db2.gz CHVYNXRIQOCXMN-TTXZLZEXSA-N 1 0 381.564 3.673 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3cccc(Br)c3)CCC2)c1 ZINC000533369217 890397228 /nfs/dbraw/zinc/39/72/28/890397228.db2.gz BZGZUHBDDLGJJI-UHFFFAOYSA-N 1 0 398.304 3.606 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000533370167 890398878 /nfs/dbraw/zinc/39/88/78/890398878.db2.gz QJIQPQSRKCZAOB-UHFFFAOYSA-N 1 0 390.306 3.990 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cn2c3ccccc3nc2SCCC(C)C)CC1 ZINC000747798287 890792016 /nfs/dbraw/zinc/79/20/16/890792016.db2.gz MDTYENQEBCIEQR-UHFFFAOYSA-N 1 0 398.576 3.593 20 30 GHEDRO CC(C)[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000917075476 890972630 /nfs/dbraw/zinc/97/26/30/890972630.db2.gz WSHPNRBAAGYZSH-UHFFFAOYSA-N 1 0 378.520 3.910 20 30 GHEDRO C[C@@H](NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000428824734 891238215 /nfs/dbraw/zinc/23/82/15/891238215.db2.gz PJPDLVJMWKHGNE-GUDVDZBRSA-N 1 0 398.551 3.540 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1=S ZINC000872723434 891313297 /nfs/dbraw/zinc/31/32/97/891313297.db2.gz LLSDGYRADFHKLT-PKOBYXMFSA-N 1 0 383.565 3.559 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1c(C)cccc1C(=O)OCC[NH+](CC)CC ZINC000813249084 891404482 /nfs/dbraw/zinc/40/44/82/891404482.db2.gz CRLQXAOSOUVIJA-UHFFFAOYSA-N 1 0 392.499 3.656 20 30 GHEDRO COc1ccc(CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000497454954 891628449 /nfs/dbraw/zinc/62/84/49/891628449.db2.gz BVUHDRUUQQDJQA-IBGZPJMESA-N 1 0 379.504 3.895 20 30 GHEDRO C=CCn1c(=O)c2ccccc2nc1S[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000670370407 891786102 /nfs/dbraw/zinc/78/61/02/891786102.db2.gz JIVIMHKZKXIZBB-GOSISDBHSA-N 1 0 377.513 3.949 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000813618706 891821490 /nfs/dbraw/zinc/82/14/90/891821490.db2.gz IUUMOQUELJCNTC-GOSISDBHSA-N 1 0 378.369 3.615 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@H](CC#N)C(F)(F)F ZINC001134051145 892221225 /nfs/dbraw/zinc/22/12/25/892221225.db2.gz VKHBLFWHNHLAEO-WMLDXEAASA-N 1 0 383.414 3.514 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814176115 892328589 /nfs/dbraw/zinc/32/85/89/892328589.db2.gz MPKFSQZXXAMWHH-CTNGQTDRSA-N 1 0 398.551 3.868 20 30 GHEDRO CCc1c(C)sc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C#N ZINC000875298524 892533216 /nfs/dbraw/zinc/53/32/16/892533216.db2.gz YISOHDNVSFRETF-MJGOQNOKSA-N 1 0 399.564 3.677 20 30 GHEDRO C#CCN(C(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001134265192 892543775 /nfs/dbraw/zinc/54/37/75/892543775.db2.gz BWZHQWADGBSGSC-PFONDFGASA-N 1 0 380.410 3.545 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC001185157645 913723000 /nfs/dbraw/zinc/72/30/00/913723000.db2.gz HTZMBZITWJYKDN-LBPRGKRZSA-N 1 0 376.426 3.868 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000508729782 893017858 /nfs/dbraw/zinc/01/78/58/893017858.db2.gz JXESNNRAQQSHQE-LJQANCHMSA-N 1 0 396.583 3.951 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CCCSCC#N)C2)C1 ZINC000814671434 893079188 /nfs/dbraw/zinc/07/91/88/893079188.db2.gz BJJAUWKHPFEZDP-QZTJIDSGSA-N 1 0 381.586 3.992 20 30 GHEDRO CC(Cc1ccc(F)cc1)=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000814727221 893104964 /nfs/dbraw/zinc/10/49/64/893104964.db2.gz JPKYLESYEIHMDQ-UHFFFAOYSA-N 1 0 398.551 3.873 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)OCC)CC2)cc1OC ZINC000778199034 893234649 /nfs/dbraw/zinc/23/46/49/893234649.db2.gz RBWVFIXFHOFEEI-INIZCTEOSA-N 1 0 376.497 3.607 20 30 GHEDRO C=C(C)CN1CCC([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000562985890 893245792 /nfs/dbraw/zinc/24/57/92/893245792.db2.gz UWXLWEZMVOROFO-DEOSSOPVSA-N 1 0 394.559 3.784 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c(OC)c1 ZINC000562995548 893254484 /nfs/dbraw/zinc/25/44/84/893254484.db2.gz VIIQZKIUNFHTHV-WOJBJXKFSA-N 1 0 389.536 3.635 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c(C2CC2)c1 ZINC000933853055 893258175 /nfs/dbraw/zinc/25/81/75/893258175.db2.gz JYXQBRDKMDUZQK-UHFFFAOYSA-N 1 0 389.503 3.864 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000876664248 893280020 /nfs/dbraw/zinc/28/00/20/893280020.db2.gz QQCOEMRWMIWUBE-IAQYHMDHSA-N 1 0 379.913 3.774 20 30 GHEDRO N#CCCn1ncc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1-c1ccccc1 ZINC000428705415 893318770 /nfs/dbraw/zinc/31/87/70/893318770.db2.gz BWYMXCMFIFKCEX-HXUWFJFHSA-N 1 0 391.519 3.554 20 30 GHEDRO C=CCCn1cc(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)nn1 ZINC000563183899 893451430 /nfs/dbraw/zinc/45/14/30/893451430.db2.gz KYWYHALKVQYFJU-UHFFFAOYSA-N 1 0 385.537 3.685 20 30 GHEDRO CC(C)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000154694425 893468419 /nfs/dbraw/zinc/46/84/19/893468419.db2.gz VZQZSVIJZWWDKW-HXUWFJFHSA-N 1 0 383.442 3.649 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000877086444 893477030 /nfs/dbraw/zinc/47/70/30/893477030.db2.gz YKWQDMZTNNXHHM-XXBNENTESA-N 1 0 394.515 3.988 20 30 GHEDRO C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000877224923 893534941 /nfs/dbraw/zinc/53/49/41/893534941.db2.gz PGXWWDVQVSEXEJ-SJLPKXTDSA-N 1 0 385.405 3.789 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1=O ZINC001137118297 893556113 /nfs/dbraw/zinc/55/61/13/893556113.db2.gz SPTNWDFQTLOIQR-DEOSSOPVSA-N 1 0 389.499 3.735 20 30 GHEDRO CCOc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(Cl)c1O ZINC000459454194 893556501 /nfs/dbraw/zinc/55/65/01/893556501.db2.gz BYCBIJCHVHVSRS-GOSISDBHSA-N 1 0 399.878 3.601 20 30 GHEDRO CCCc1c(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cnn1-c1cccc(C#N)c1 ZINC000459498186 893634329 /nfs/dbraw/zinc/63/43/29/893634329.db2.gz BDXSRMWPJVFAHY-KRWDZBQOSA-N 1 0 394.523 3.550 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)C1CC1 ZINC000536742305 893673526 /nfs/dbraw/zinc/67/35/26/893673526.db2.gz CWBRKANQMKZIPR-UHFFFAOYSA-N 1 0 393.487 3.927 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)[C@H](C)CCO)c1C ZINC000536744066 893683344 /nfs/dbraw/zinc/68/33/44/893683344.db2.gz IAGIFFBJCLSRQH-HXUWFJFHSA-N 1 0 393.531 3.823 20 30 GHEDRO CC[N@H+](CCC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1)CC1CC1 ZINC000536737232 893701172 /nfs/dbraw/zinc/70/11/72/893701172.db2.gz XCCZCECJWIEVLJ-UHFFFAOYSA-N 1 0 393.535 3.942 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000877579364 893702135 /nfs/dbraw/zinc/70/21/35/893702135.db2.gz QCVOMEUIGNYBCZ-BHIYHBOVSA-N 1 0 379.545 3.711 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1)c1ccccc1 ZINC000459533677 893749377 /nfs/dbraw/zinc/74/93/77/893749377.db2.gz POPAASQGPAZFDP-HSZRJFAPSA-N 1 0 391.515 3.817 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000877683606 893760433 /nfs/dbraw/zinc/76/04/33/893760433.db2.gz DRXNNTSSYWMTHO-BZSNNMDCSA-N 1 0 379.545 3.758 20 30 GHEDRO CC(C)CC(=O)N1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000877772815 893805999 /nfs/dbraw/zinc/80/59/99/893805999.db2.gz UCKDEBIYGJCIHQ-UHFFFAOYSA-N 1 0 393.535 3.544 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000563519136 893858060 /nfs/dbraw/zinc/85/80/60/893858060.db2.gz CZXLPVQTHGCSIN-QHCPKHFHSA-N 1 0 388.515 3.508 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000877961456 893914964 /nfs/dbraw/zinc/91/49/64/893914964.db2.gz PSFYYJOBQCFPSZ-DEOSSOPVSA-N 1 0 386.499 3.511 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000459655776 893994478 /nfs/dbraw/zinc/99/44/78/893994478.db2.gz FKZDRKJYRNQPJN-CZUORRHYSA-N 1 0 394.313 3.572 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000536879725 893999442 /nfs/dbraw/zinc/99/94/42/893999442.db2.gz WHWTXPOYIFTGCF-AWEZNQCLSA-N 1 0 391.393 3.963 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1)c1ccccc1 ZINC000878089682 894006001 /nfs/dbraw/zinc/00/60/01/894006001.db2.gz KQOUVJGJYNVBFM-XMMPIXPASA-N 1 0 395.547 3.588 20 30 GHEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000459664561 894022508 /nfs/dbraw/zinc/02/25/08/894022508.db2.gz IGDLBGBMQBPQIN-QZTJIDSGSA-N 1 0 395.503 3.998 20 30 GHEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000563682828 894065186 /nfs/dbraw/zinc/06/51/86/894065186.db2.gz JJBLCJHJEDLAQA-GAJHUEQPSA-N 1 0 390.487 3.621 20 30 GHEDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000459688970 894076012 /nfs/dbraw/zinc/07/60/12/894076012.db2.gz DLKVSJYVZFRUSM-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000459710587 894132783 /nfs/dbraw/zinc/13/27/83/894132783.db2.gz LXQKAOSRDITTHN-UHFFFAOYSA-N 1 0 382.302 3.572 20 30 GHEDRO CSC1(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000563753232 894148511 /nfs/dbraw/zinc/14/85/11/894148511.db2.gz ANYVDSWZBAMRJA-UHFFFAOYSA-N 1 0 386.443 3.526 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21)c1ccccc1 ZINC000878304768 894180229 /nfs/dbraw/zinc/18/02/29/894180229.db2.gz PZOPPUDSHBBURA-ZJSXRUAMSA-N 1 0 386.499 3.941 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878385185 894248811 /nfs/dbraw/zinc/24/88/11/894248811.db2.gz VDTZQSFQEIMYLT-GEQKSPFYSA-N 1 0 399.535 3.662 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000459854783 894276934 /nfs/dbraw/zinc/27/69/34/894276934.db2.gz HNGBEKPNLDWBJL-QFIPXVFZSA-N 1 0 379.508 3.791 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000537062652 894280414 /nfs/dbraw/zinc/28/04/14/894280414.db2.gz BCKHSDRNPMLFHK-NRFANRHFSA-N 1 0 394.906 3.869 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)C2(C#N)CCOCC2)cc1)C[C@H]1CCCCO1 ZINC000537120269 894341007 /nfs/dbraw/zinc/34/10/07/894341007.db2.gz GXHCLFNKOPQPFL-OAQYLSRUSA-N 1 0 399.535 3.725 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000537120517 894341455 /nfs/dbraw/zinc/34/14/55/894341455.db2.gz RWJRFTGKHZVJFN-HXUWFJFHSA-N 1 0 380.492 3.918 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(c2ncc3n2CCCC3)CC1)c1ccccc1 ZINC000878528266 894361712 /nfs/dbraw/zinc/36/17/12/894361712.db2.gz MIWSJNYNXPUMFD-DEOSSOPVSA-N 1 0 390.531 3.839 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1OCc1ccccc1 ZINC000537133117 894384789 /nfs/dbraw/zinc/38/47/89/894384789.db2.gz GQJARIBCXZACAW-HXOBKFHXSA-N 1 0 377.488 3.725 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)c1ccccc1 ZINC000878567197 894391419 /nfs/dbraw/zinc/39/14/19/894391419.db2.gz DUGUIPLMGIMLBS-XMMPIXPASA-N 1 0 399.498 3.672 20 30 GHEDRO N#CC1(CC(=O)OC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000816016125 894396065 /nfs/dbraw/zinc/39/60/65/894396065.db2.gz GLECAOXAZUYXLK-UHFFFAOYSA-N 1 0 382.382 3.787 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000537175027 894494094 /nfs/dbraw/zinc/49/40/94/894494094.db2.gz OKDWRJUWJAUDRI-MGPUTAFESA-N 1 0 399.564 3.987 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000564091755 894581250 /nfs/dbraw/zinc/58/12/50/894581250.db2.gz CMTUMWIJLYCBLT-RTBURBONSA-N 1 0 378.369 3.972 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC2(CC#N)CC2)C1 ZINC000878811393 894637888 /nfs/dbraw/zinc/63/78/88/894637888.db2.gz FUDLWNJUUPJUKQ-SQNIBIBYSA-N 1 0 377.529 3.607 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCCn2ccnc2)cc1OC ZINC000564322531 894863753 /nfs/dbraw/zinc/86/37/53/894863753.db2.gz RXZVOOZEOIDZRL-UHFFFAOYSA-N 1 0 394.313 3.741 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cc2cnccc2o1 ZINC000879713546 895252169 /nfs/dbraw/zinc/25/21/69/895252169.db2.gz QFFMZCNOQWKWDM-CABCVRRESA-N 1 0 380.423 3.953 20 30 GHEDRO N#CCCC1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000564978149 895338078 /nfs/dbraw/zinc/33/80/78/895338078.db2.gz CGOUXWODQPIYOP-OAHLLOKOSA-N 1 0 380.275 3.641 20 30 GHEDRO CCO[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000826139945 895430882 /nfs/dbraw/zinc/43/08/82/895430882.db2.gz SOAUDHRBXCKLDP-UYAOXDASSA-N 1 0 399.535 3.603 20 30 GHEDRO C#CCN(C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000128135749 895450259 /nfs/dbraw/zinc/45/02/59/895450259.db2.gz TZOIELFLDXJTFF-UHFFFAOYSA-N 1 0 395.547 3.794 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1C(F)(F)F ZINC000880025242 895459584 /nfs/dbraw/zinc/45/95/84/895459584.db2.gz USBCBCDVHUWHAF-IAGOWNOFSA-N 1 0 397.441 3.888 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c(C#N)c1C ZINC000880099107 895512987 /nfs/dbraw/zinc/51/29/87/895512987.db2.gz GNYXFCKENVOGDO-GHMZBOCLSA-N 1 0 380.370 3.860 20 30 GHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000565375528 895574150 /nfs/dbraw/zinc/57/41/50/895574150.db2.gz VOUNJCHSBMTONR-UHFFFAOYSA-N 1 0 397.567 3.642 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F ZINC000817407224 895584806 /nfs/dbraw/zinc/58/48/06/895584806.db2.gz GIQOZZMPWSIOKK-UHFFFAOYSA-N 1 0 393.384 3.843 20 30 GHEDRO COc1cc(OC)cc(C2(F)CC[NH+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000565705830 895824947 /nfs/dbraw/zinc/82/49/47/895824947.db2.gz MQBGDBLGHFBSNR-UHFFFAOYSA-N 1 0 384.451 3.915 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(C)=O)ccc2Br)CC1 ZINC000880805892 895904820 /nfs/dbraw/zinc/90/48/20/895904820.db2.gz RWNPDKXHQUUQGH-UHFFFAOYSA-N 1 0 394.313 3.814 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)c1 ZINC000817919882 895960504 /nfs/dbraw/zinc/96/05/04/895960504.db2.gz WDFGLXLRDDJCIJ-WTIAFYNJSA-N 1 0 379.504 3.959 20 30 GHEDRO C=CCn1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)nn1 ZINC000818348159 896114925 /nfs/dbraw/zinc/11/49/25/896114925.db2.gz ZOXLLPMJRFKBEC-WMZOPIPTSA-N 1 0 377.533 3.512 20 30 GHEDRO Cc1nc(SCC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c(C#N)c(C)c1C ZINC000566405594 896292101 /nfs/dbraw/zinc/29/21/01/896292101.db2.gz BEFIIEQKDJCTSX-IBGZPJMESA-N 1 0 382.533 3.567 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000129008029 896338222 /nfs/dbraw/zinc/33/82/22/896338222.db2.gz VXPLAJVUOFRBIM-UHFFFAOYSA-N 1 0 380.463 3.576 20 30 GHEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819190596 896460141 /nfs/dbraw/zinc/46/01/41/896460141.db2.gz IPCGBFOEARKDAP-KPZWWZAWSA-N 1 0 377.257 3.714 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000566672187 896479028 /nfs/dbraw/zinc/47/90/28/896479028.db2.gz XIQOQGSHTOFCJV-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO COCCC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccncc1 ZINC000289183078 914074025 /nfs/dbraw/zinc/07/40/25/914074025.db2.gz AQNDEDNEQZQHDY-UHFFFAOYSA-N 1 0 389.503 3.897 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000566812639 896593595 /nfs/dbraw/zinc/59/35/95/896593595.db2.gz KYCDDNHGXUVXGR-UHFFFAOYSA-N 1 0 377.488 3.521 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)CCC(C)(C)C#N)cc2)C1 ZINC000567099965 896875521 /nfs/dbraw/zinc/87/55/21/896875521.db2.gz KJBCVXCOSNSBTL-QZTJIDSGSA-N 1 0 391.581 3.524 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000567103481 896876897 /nfs/dbraw/zinc/87/68/97/896876897.db2.gz FJXPUGXNPBSJJE-PBHICJAKSA-N 1 0 377.941 3.925 20 30 GHEDRO C#CCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1 ZINC000129945643 896935918 /nfs/dbraw/zinc/93/59/18/896935918.db2.gz ZMSPIWBKNBSVPJ-UHFFFAOYSA-N 1 0 381.495 3.980 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000567345475 897081062 /nfs/dbraw/zinc/08/10/62/897081062.db2.gz JIZQCQYKSKKQBF-NYLDSWQDSA-N 1 0 398.478 3.555 20 30 GHEDRO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCc1ccc(Cl)cc1Cl ZINC001276323482 914129912 /nfs/dbraw/zinc/12/99/12/914129912.db2.gz CECULRQKCGWDLP-QZTJIDSGSA-N 1 0 380.319 3.905 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCN(c3nccc4sccc43)CC2)c1 ZINC000567424784 897142602 /nfs/dbraw/zinc/14/26/02/897142602.db2.gz PDQWSCGUUDFDER-UHFFFAOYSA-N 1 0 378.501 3.759 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000131020736 897295304 /nfs/dbraw/zinc/29/53/04/897295304.db2.gz UCWBKZMGGIDAHL-WMZHIEFXSA-N 1 0 376.500 3.583 20 30 GHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000567692248 897339970 /nfs/dbraw/zinc/33/99/70/897339970.db2.gz QZMPPGRBXBZEPE-DNVCBOLYSA-N 1 0 392.421 3.732 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000131273224 897390349 /nfs/dbraw/zinc/39/03/49/897390349.db2.gz OQKLHODVRRXVNB-IEBWSBKVSA-N 1 0 387.524 3.952 20 30 GHEDRO C#C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000820616223 897413226 /nfs/dbraw/zinc/41/32/26/897413226.db2.gz GVXDRBLUSXDVOK-WBAXXEDZSA-N 1 0 392.341 3.638 20 30 GHEDRO COc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000567837362 897434668 /nfs/dbraw/zinc/43/46/68/897434668.db2.gz AVKRFNUODQQHDJ-NHCUHLMSSA-N 1 0 375.472 3.899 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(Br)cc2C#N)([NH+](C)C)C1 ZINC001136359959 897468848 /nfs/dbraw/zinc/46/88/48/897468848.db2.gz BIIWQZOORXMFOV-SCLBCKFNSA-N 1 0 378.314 3.561 20 30 GHEDRO N#Cc1cnn2cc(CNc3ccc(SCC[NH+]4CCCCC4)cc3)cnc12 ZINC000567905404 897479486 /nfs/dbraw/zinc/47/94/86/897479486.db2.gz XGQCCFYVLDMWAQ-UHFFFAOYSA-N 1 0 392.532 3.791 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000131510922 897489861 /nfs/dbraw/zinc/48/98/61/897489861.db2.gz VHHSNQYXDVIKCI-UHFFFAOYSA-N 1 0 399.498 3.974 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)ccc1OC(F)F ZINC000883358906 897532970 /nfs/dbraw/zinc/53/29/70/897532970.db2.gz TVYYLWKXLWAIKC-HQJQHLMTSA-N 1 0 379.272 3.506 20 30 GHEDRO CC(C)(C)OC(=O)NCC1(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CCC1 ZINC000820851697 897585227 /nfs/dbraw/zinc/58/52/27/897585227.db2.gz QWUKKAPGYQFKDC-FQEVSTJZSA-N 1 0 398.551 3.564 20 30 GHEDRO O=C(NCCN1CCc2sccc2C1)c1ccc(C#Cc2ccccc2)cc1 ZINC001136403513 897662254 /nfs/dbraw/zinc/66/22/54/897662254.db2.gz RMTHEPYZYSAVNC-UHFFFAOYSA-N 1 0 386.520 3.936 20 30 GHEDRO CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000028694280 897866941 /nfs/dbraw/zinc/86/69/41/897866941.db2.gz OVMOKJYLIAFHBN-UHFFFAOYSA-O 1 0 398.552 3.549 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000106261976 898262616 /nfs/dbraw/zinc/26/26/16/898262616.db2.gz ZKGUXPQMUOTEGL-UHFFFAOYSA-N 1 0 398.551 3.655 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)CC1 ZINC000106324308 898265229 /nfs/dbraw/zinc/26/52/29/898265229.db2.gz KIKNIVSJCLPPGV-UHFFFAOYSA-N 1 0 386.540 3.543 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc(OCc2ccccc2)cc1 ZINC001136592398 898409017 /nfs/dbraw/zinc/40/90/17/898409017.db2.gz YDGHJCGXFIJLRA-PUHATCMVSA-N 1 0 389.499 3.963 20 30 GHEDRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000043306616 898436059 /nfs/dbraw/zinc/43/60/59/898436059.db2.gz HEPGWDHTMDVRKM-IBGZPJMESA-N 1 0 376.504 3.579 20 30 GHEDRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000043306617 898436380 /nfs/dbraw/zinc/43/63/80/898436380.db2.gz HEPGWDHTMDVRKM-LJQANCHMSA-N 1 0 376.504 3.579 20 30 GHEDRO N#CCCCN1CC[C@]2(CC[N@@H+](CCc3c(Cl)cccc3Cl)C2)C1=O ZINC001276332014 914267505 /nfs/dbraw/zinc/26/75/05/914267505.db2.gz RLHDSBYDGDRIPV-IBGZPJMESA-N 1 0 380.319 3.764 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000569453036 898679517 /nfs/dbraw/zinc/67/95/17/898679517.db2.gz TZVKXCALOMNAHP-ZIFCJYIRSA-N 1 0 376.460 3.860 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1Br ZINC000569462201 898685982 /nfs/dbraw/zinc/68/59/82/898685982.db2.gz YCIMNIZLFQZYHH-RCBQFDQVSA-N 1 0 385.309 3.741 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 ZINC000884094709 898854374 /nfs/dbraw/zinc/85/43/74/898854374.db2.gz SDPGJAFRFWZPPS-RIMHVDHWSA-N 1 0 379.891 3.685 20 30 GHEDRO C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Oc2ccccc2)cc1 ZINC000884117876 898944973 /nfs/dbraw/zinc/94/49/73/898944973.db2.gz OMVDCLJPBPGLLV-LMTOITPJSA-N 1 0 375.472 3.795 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000113849394 899036097 /nfs/dbraw/zinc/03/60/97/899036097.db2.gz PKGWLFHWNNRILQ-HNNXBMFYSA-N 1 0 397.544 3.650 20 30 GHEDRO Cc1nc(C#N)c(C#N)nc1N[C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)C[C@H]1C ZINC001171032365 899250511 /nfs/dbraw/zinc/25/05/11/899250511.db2.gz UGNDSUJZXZKBJL-UKSCXKOUSA-N 1 0 380.540 3.899 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000823887109 899306147 /nfs/dbraw/zinc/30/61/47/899306147.db2.gz AZHBHMDRTUZWCX-QFBILLFUSA-N 1 0 386.517 3.664 20 30 GHEDRO CCc1cccc(Oc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cn2)c1 ZINC000884195505 899313086 /nfs/dbraw/zinc/31/30/86/899313086.db2.gz OSSSKTHWFODTTF-PSCUFVCCSA-N 1 0 376.460 3.514 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000332023463 899350222 /nfs/dbraw/zinc/35/02/22/899350222.db2.gz WHHRCFHLGIDSDI-GOSISDBHSA-N 1 0 389.565 3.605 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C#N)cc1N(C)C ZINC000332027499 899350996 /nfs/dbraw/zinc/35/09/96/899350996.db2.gz GZRGRZGQTQPPRK-UHFFFAOYSA-N 1 0 383.540 3.851 20 30 GHEDRO N#Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1OC(F)(F)F ZINC000332393645 899632385 /nfs/dbraw/zinc/63/23/85/899632385.db2.gz KRSAKBURQGHZCR-OAHLLOKOSA-N 1 0 399.438 3.613 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccccc2)cc1 ZINC000134135759 899651909 /nfs/dbraw/zinc/65/19/09/899651909.db2.gz SOTOHYLCKIMWCW-IBGZPJMESA-O 1 0 383.537 3.634 20 30 GHEDRO C[NH+](C)CCN(Cc1cnc(-c2ccncc2)s1)Cc1ccc(C#N)cc1 ZINC000570972765 899692320 /nfs/dbraw/zinc/69/23/20/899692320.db2.gz JZIHMVHULJQPSK-UHFFFAOYSA-N 1 0 377.517 3.641 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccc(Cl)cn4)C3)C2)c1 ZINC001136929279 899787222 /nfs/dbraw/zinc/78/72/22/899787222.db2.gz GUZPGRSQTXGXSW-JOCHJYFZSA-N 1 0 396.922 3.726 20 30 GHEDRO CC(C)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(C(F)(F)F)cc1 ZINC000884324872 899800044 /nfs/dbraw/zinc/80/00/44/899800044.db2.gz BXWCDZOIUVETJE-OGFXQLCQSA-N 1 0 379.426 3.658 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1(c3ccc(F)cc3Cl)CCCC1)C2 ZINC000884333353 899825435 /nfs/dbraw/zinc/82/54/35/899825435.db2.gz LKRKWOHCTNSPAW-DBWCEAHUSA-N 1 0 389.902 3.546 20 30 GHEDRO C[C@@H](COc1cccc(C#N)c1)OC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805882425 899913282 /nfs/dbraw/zinc/91/32/82/899913282.db2.gz XBJJDTWZAIVWGD-SFHVURJKSA-N 1 0 378.472 3.781 20 30 GHEDRO C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884418076 900070558 /nfs/dbraw/zinc/07/05/58/900070558.db2.gz YHWNKWDFGKNCIH-ROIVFQSGSA-N 1 0 387.527 3.786 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1OC(F)F ZINC000572189429 900097109 /nfs/dbraw/zinc/09/71/09/900097109.db2.gz RLIASEWNAZYCQU-UHFFFAOYSA-N 1 0 387.430 3.927 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000825337637 900102757 /nfs/dbraw/zinc/10/27/57/900102757.db2.gz HRZXWWCOLNIXQI-SCLBCKFNSA-N 1 0 375.266 3.563 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3OCC#N)C2)CC1 ZINC000135252343 900209948 /nfs/dbraw/zinc/20/99/48/900209948.db2.gz FSFXVMJPXZLWCY-KRWDZBQOSA-N 1 0 388.487 3.704 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1 ZINC000135267266 900212193 /nfs/dbraw/zinc/21/21/93/900212193.db2.gz QJKOSDGCCOPXRF-HNNXBMFYSA-N 1 0 384.455 3.979 20 30 GHEDRO C=CC[C@]1(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000843842818 900241257 /nfs/dbraw/zinc/24/12/57/900241257.db2.gz VEJVPMBRMUDLJF-HTAPYJJXSA-N 1 0 393.572 3.521 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289952434 914447029 /nfs/dbraw/zinc/44/70/29/914447029.db2.gz WIUDGIYQWVHYMN-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO NC(=[NH+]OCc1noc(C2CCCCC2)n1)c1ccc(N2CCCCC2)cc1 ZINC000772899301 900624421 /nfs/dbraw/zinc/62/44/21/900624421.db2.gz UTVUAXXGSCVAMC-UHFFFAOYSA-N 1 0 383.496 3.945 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(F)c1F)[C@H]2CC ZINC001143907928 900718333 /nfs/dbraw/zinc/71/83/33/900718333.db2.gz ZKYVUESVKFUUFB-UWJYYQICSA-N 1 0 378.463 3.895 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC000844356845 900761735 /nfs/dbraw/zinc/76/17/35/900761735.db2.gz TVABJTOCVIREFB-NJDAHSKKSA-N 1 0 399.535 3.843 20 30 GHEDRO C=CCC1(NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCCC1 ZINC000574377729 900871708 /nfs/dbraw/zinc/87/17/08/900871708.db2.gz GWVWAOZFSDOSJB-NRFANRHFSA-N 1 0 384.568 3.553 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCC(C)(C)C#N)C1 ZINC000844458719 900886547 /nfs/dbraw/zinc/88/65/47/900886547.db2.gz GJWXIOPHRRSULK-RCCFBDPRSA-N 1 0 379.545 3.853 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000574441299 900894701 /nfs/dbraw/zinc/89/47/01/900894701.db2.gz HEOYCRPFALPBND-CTNGQTDRSA-N 1 0 382.895 3.575 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c(C(F)(F)F)c1 ZINC000574489072 900904084 /nfs/dbraw/zinc/90/40/84/900904084.db2.gz AUJOFGYQPKFINP-AWEZNQCLSA-N 1 0 380.801 3.994 20 30 GHEDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)O2 ZINC000886341348 900942440 /nfs/dbraw/zinc/94/24/40/900942440.db2.gz UHXUQJDHBUMZHV-NNTZPNAXSA-N 1 0 394.519 3.526 20 30 GHEDRO C=CCC(C)(C)C(=O)N(Cc1nn(C(C)C)c2c1CC[NH2+]C2)c1nccs1 ZINC001144068057 901013189 /nfs/dbraw/zinc/01/31/89/901013189.db2.gz BJYPAOZVWBNZMU-UHFFFAOYSA-N 1 0 387.553 3.702 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000066726485 901022891 /nfs/dbraw/zinc/02/28/91/901022891.db2.gz XARVRZCMXWOWMK-SDNWHVSQSA-N 1 0 377.488 3.712 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066956090 901029937 /nfs/dbraw/zinc/02/99/37/901029937.db2.gz QCLFSYKIVCJNPU-BBWFWOEESA-N 1 0 390.553 3.702 20 30 GHEDRO C[C@H](NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000844596129 901061530 /nfs/dbraw/zinc/06/15/30/901061530.db2.gz GUUJEBXRYXSEEK-KRWDZBQOSA-N 1 0 378.545 3.748 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)CC2 ZINC000575112828 901122585 /nfs/dbraw/zinc/12/25/85/901122585.db2.gz DQICOOTZTRQNIE-APWZRJJASA-N 1 0 376.378 3.594 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000575146103 901136603 /nfs/dbraw/zinc/13/66/03/901136603.db2.gz KITCWDCNBXLTKN-XMSQKQJNSA-N 1 0 389.499 3.836 20 30 GHEDRO C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000844713968 901193370 /nfs/dbraw/zinc/19/33/70/901193370.db2.gz LQVLLLHIHNNGAG-VAMGGRTRSA-N 1 0 391.515 3.641 20 30 GHEDRO CS(=O)(=O)c1ccc(C(=[NH2+])N[C@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1 ZINC001171147855 901216695 /nfs/dbraw/zinc/21/66/95/901216695.db2.gz MHYWPXZGXNWZSL-AWEZNQCLSA-N 1 0 397.327 3.660 20 30 GHEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC000047010768 901236106 /nfs/dbraw/zinc/23/61/06/901236106.db2.gz KWEKCQZVVVIZEQ-UHFFFAOYSA-N 1 0 395.503 3.558 20 30 GHEDRO C[NH+](C)CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)C1CCCC1 ZINC001144198092 901239401 /nfs/dbraw/zinc/23/94/01/901239401.db2.gz UAHXIHKBPUEOCS-UHFFFAOYSA-N 1 0 391.519 3.512 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000158353511 901271076 /nfs/dbraw/zinc/27/10/76/901271076.db2.gz KJKCTRJHPYYQJG-UHFFFAOYSA-N 1 0 392.503 3.533 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCCN(CC(F)F)CC3)c2)c1 ZINC000575789065 901303944 /nfs/dbraw/zinc/30/39/44/901303944.db2.gz STQSETNUCPYZAU-UHFFFAOYSA-N 1 0 385.458 3.910 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N[C@@H](c2cccs2)c2ccc(CC)cc2)CCOCC1 ZINC000887123416 901445590 /nfs/dbraw/zinc/44/55/90/901445590.db2.gz OFNMQYVTZRQAPA-JOCHJYFZSA-N 1 0 396.556 3.678 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000576039647 901610680 /nfs/dbraw/zinc/61/06/80/901610680.db2.gz GWMFIYDUPASMLY-GOSISDBHSA-N 1 0 397.544 3.778 20 30 GHEDRO C/C(=C\C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(F)c1 ZINC000845003976 901636790 /nfs/dbraw/zinc/63/67/90/901636790.db2.gz VSUGHVSIHQRRPW-SFQUDFHCSA-N 1 0 377.463 3.881 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001144312394 901726551 /nfs/dbraw/zinc/72/65/51/901726551.db2.gz OWDWKGSFLJRKHF-KDURUIRLSA-N 1 0 391.515 3.748 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000576151400 901730617 /nfs/dbraw/zinc/73/06/17/901730617.db2.gz RHHLWPKKELEXFI-NQIIRXRSSA-N 1 0 377.488 3.691 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccccc1C#N ZINC000290179752 914560913 /nfs/dbraw/zinc/56/09/13/914560913.db2.gz QRZINLPLELEFME-IIBYNOLFSA-N 1 0 375.472 3.569 20 30 GHEDRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000576277585 901906517 /nfs/dbraw/zinc/90/65/17/901906517.db2.gz IGEVPBMVKMPTDB-INIZCTEOSA-N 1 0 379.439 3.648 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(C#N)cc2)CC1 ZINC000576322926 901944544 /nfs/dbraw/zinc/94/45/44/901944544.db2.gz SECWABDYLUGTLX-UHFFFAOYSA-N 1 0 383.879 3.866 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144381199 901963225 /nfs/dbraw/zinc/96/32/25/901963225.db2.gz MTJSKKBSVLHLFV-UHFFFAOYSA-N 1 0 384.398 3.631 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000576434609 902019364 /nfs/dbraw/zinc/01/93/64/902019364.db2.gz YALXIJMTGFGYSC-UYAOXDASSA-N 1 0 392.551 3.634 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001171175358 902063556 /nfs/dbraw/zinc/06/35/56/902063556.db2.gz JVEMWVDNCCFXAB-YOEHRIQHSA-N 1 0 379.451 3.724 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1OCCc2sccc21 ZINC000576531759 902078797 /nfs/dbraw/zinc/07/87/97/902078797.db2.gz BNJIEFRSUAGLOR-GCOHCCIJSA-N 1 0 389.565 3.659 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001171195127 902283648 /nfs/dbraw/zinc/28/36/48/902283648.db2.gz OZEPKSUQTDNRFR-VGSWGCGISA-N 1 0 383.923 3.806 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC001171197818 902354500 /nfs/dbraw/zinc/35/45/00/902354500.db2.gz CVLXWDAHLYJHDJ-SSKFGXFMSA-N 1 0 379.479 3.959 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(c2ncnc3ccccc32)CC1 ZINC001171197879 902378316 /nfs/dbraw/zinc/37/83/16/902378316.db2.gz FAXOETGLONXCIK-GOSISDBHSA-N 1 0 385.515 3.939 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC(c3nc4ccc(Br)cn4n3)CC2)cc1 ZINC001144568331 902399927 /nfs/dbraw/zinc/39/99/27/902399927.db2.gz QYVGXMLBVNTWKH-UHFFFAOYSA-N 1 0 395.304 3.853 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(C[C@@H](NC(=O)NC)c4ccc(C)cc43)CC2)cc1 ZINC001144572170 902403961 /nfs/dbraw/zinc/40/39/61/902403961.db2.gz SFEWZCKHTHHPDF-HSZRJFAPSA-N 1 0 387.527 3.884 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc1 ZINC001144573994 902405504 /nfs/dbraw/zinc/40/55/04/902405504.db2.gz XHNFSJXYSZGWRA-RUZDIDTESA-N 1 0 385.511 3.659 20 30 GHEDRO N#C[C@H]1N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CCC[C@]12CCCCO2 ZINC000334117009 902565326 /nfs/dbraw/zinc/56/53/26/902565326.db2.gz HYQREFAXICJJSN-FYYLOGMGSA-N 1 0 381.520 3.740 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000577262210 902628383 /nfs/dbraw/zinc/62/83/83/902628383.db2.gz JBFWJRVUYAPJTL-AEFFLSMTSA-N 1 0 385.533 3.522 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001171212224 902696753 /nfs/dbraw/zinc/69/67/53/902696753.db2.gz KMXZJSDDHGXJMT-YFXJRYMSSA-N 1 0 377.488 3.587 20 30 GHEDRO N#CCCC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000577398787 902739395 /nfs/dbraw/zinc/73/93/95/902739395.db2.gz DGZXNTGFYYXNHO-LJQANCHMSA-N 1 0 375.463 3.686 20 30 GHEDRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000264092845 902837778 /nfs/dbraw/zinc/83/77/78/902837778.db2.gz LMUVYGQXOFIZSG-CQSZACIVSA-N 1 0 384.480 3.615 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)c2c[nH]c3ccccc32)cc1 ZINC000600717469 902840072 /nfs/dbraw/zinc/84/00/72/902840072.db2.gz LQXCBAMDXGSBPT-WIYYLYMNSA-N 1 0 389.499 3.953 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)CCOCC1 ZINC000600727219 902850028 /nfs/dbraw/zinc/85/00/28/902850028.db2.gz JVTXCTGPQSNHOX-HXUWFJFHSA-N 1 0 398.478 3.821 20 30 GHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600729322 902851247 /nfs/dbraw/zinc/85/12/47/902851247.db2.gz XQDYKKMHVMIHOV-KSSFIOAISA-N 1 0 378.394 3.538 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600735691 902858142 /nfs/dbraw/zinc/85/81/42/902858142.db2.gz PFPNVZWZTMXYJC-WMLDXEAASA-N 1 0 378.394 3.538 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001171222721 902899307 /nfs/dbraw/zinc/89/93/07/902899307.db2.gz IPNAWEWNEQXOGM-VGSWGCGISA-N 1 0 375.516 3.831 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000577667297 903023904 /nfs/dbraw/zinc/02/39/04/903023904.db2.gz JPKWZJUYGNBRGH-UHFFFAOYSA-N 1 0 390.462 3.674 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001171231014 903039816 /nfs/dbraw/zinc/03/98/16/903039816.db2.gz ZWKXRIFJCJLSMT-QGZVFWFLSA-N 1 0 381.907 3.991 20 30 GHEDRO N#CC1(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)CCSCC1 ZINC000887609645 903118942 /nfs/dbraw/zinc/11/89/42/903118942.db2.gz RVKDULZITQEZRE-UHFFFAOYSA-N 1 0 383.561 3.637 20 30 GHEDRO N#CCc1ccccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000600998616 903206601 /nfs/dbraw/zinc/20/66/01/903206601.db2.gz KFLXBJZIQNCULN-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO Cc1cc(N2CCC([NH2+][C@H]3CCCCc4cc(C#N)ccc43)CC2)nc(C)n1 ZINC000577810528 903225964 /nfs/dbraw/zinc/22/59/64/903225964.db2.gz VNRJVGDCWZPRTN-QFIPXVFZSA-N 1 0 375.520 3.991 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000132851149 903317643 /nfs/dbraw/zinc/31/76/43/903317643.db2.gz XBXMRUPVXRKYTN-GOSISDBHSA-N 1 0 394.519 3.671 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC2)c1 ZINC000578057528 903482085 /nfs/dbraw/zinc/48/20/85/903482085.db2.gz HHQZKHGHHBCJNM-IBGZPJMESA-N 1 0 377.463 3.715 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000578177569 903588660 /nfs/dbraw/zinc/58/86/60/903588660.db2.gz XPLZVQHQHHRWKQ-UTKZUKDTSA-N 1 0 390.535 3.846 20 30 GHEDRO COC[C@]1(C[NH2+]Cc2cccc(OCCCC#N)c2)OCCc2ccccc21 ZINC000578181522 903592597 /nfs/dbraw/zinc/59/25/97/903592597.db2.gz QIZGZTMMWZLHIJ-QHCPKHFHSA-N 1 0 380.488 3.573 20 30 GHEDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCCO1 ZINC000578210567 903615664 /nfs/dbraw/zinc/61/56/64/903615664.db2.gz OJKWNKKQAQNUIV-MAUKXSAKSA-N 1 0 389.565 3.820 20 30 GHEDRO N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CCO2)cc1 ZINC000887727017 903662258 /nfs/dbraw/zinc/66/22/58/903662258.db2.gz CDLHTJWHLLHCGW-QHCPKHFHSA-N 1 0 389.499 3.758 20 30 GHEDRO C[NH+](C)CCOc1ccccc1-c1noc(C[C@H](CC#N)c2ccccc2)n1 ZINC000578366782 903771169 /nfs/dbraw/zinc/77/11/69/903771169.db2.gz SYQNKFIKNQAUSQ-SFHVURJKSA-N 1 0 376.460 3.917 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(SC2CCCC2)cc1 ZINC000772984901 903979304 /nfs/dbraw/zinc/97/93/04/903979304.db2.gz PAJCJBSYAYSTRD-MSVBSMQLSA-N 1 0 385.533 3.898 20 30 GHEDRO C[C@H](OC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000779123182 904357852 /nfs/dbraw/zinc/35/78/52/904357852.db2.gz ZIUFGXKTGLPFLT-KRWDZBQOSA-N 1 0 385.508 3.518 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H](C)O/[NH+]=C/c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000153612233 904381794 /nfs/dbraw/zinc/38/17/94/904381794.db2.gz XBUODOJZLFPYOI-MMTNMYCKSA-N 1 0 381.476 3.518 20 30 GHEDRO C#CCCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000779129491 904450399 /nfs/dbraw/zinc/45/03/99/904450399.db2.gz XSLDOXNCSZRPHP-FQEVSTJZSA-N 1 0 377.456 3.851 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(N2c3ccccc3OC[C@@H]2C[NH3+])n1 ZINC001171391482 904478384 /nfs/dbraw/zinc/47/83/84/904478384.db2.gz ABBGEJQGKKVUIK-INIZCTEOSA-N 1 0 380.492 3.653 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000579299308 904492873 /nfs/dbraw/zinc/49/28/73/904492873.db2.gz RPSREPCZUVLELZ-FPOVZHCZSA-N 1 0 391.515 3.744 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000889428579 904571104 /nfs/dbraw/zinc/57/11/04/904571104.db2.gz CNRWMPQFGOGPCA-QGZVFWFLSA-N 1 0 394.441 3.822 20 30 GHEDRO CSc1ccc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1C#N ZINC000890454373 905060973 /nfs/dbraw/zinc/06/09/73/905060973.db2.gz DXXFELHFFMTLFG-UHFFFAOYSA-N 1 0 398.532 3.679 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](Cc3cncc(C#N)c3)C2)CC1 ZINC001171920809 905149826 /nfs/dbraw/zinc/14/98/26/905149826.db2.gz NUKUHPYZZQHGSE-FQEVSTJZSA-N 1 0 384.524 3.812 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000174003307 905184810 /nfs/dbraw/zinc/18/48/10/905184810.db2.gz IRMBPSJQFIKBNC-BZSNNMDCSA-N 1 0 377.488 3.658 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990721 905200975 /nfs/dbraw/zinc/20/09/75/905200975.db2.gz NFGAHYRHRUDGFR-NHCUHLMSSA-N 1 0 385.552 3.806 20 30 GHEDRO C#CCCC[NH2+]C1CCC(C(=O)OC)(c2ccc(Br)cc2)CC1 ZINC001172141715 905348407 /nfs/dbraw/zinc/34/84/07/905348407.db2.gz LHAGAOQSYDSPIK-UHFFFAOYSA-N 1 0 378.310 3.806 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001172302837 905454561 /nfs/dbraw/zinc/45/45/61/905454561.db2.gz RRAJEMNMKSSLKL-MAUKXSAKSA-N 1 0 393.478 3.971 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001172305253 905459384 /nfs/dbraw/zinc/45/93/84/905459384.db2.gz REOXSALGCUIHSM-LJQANCHMSA-N 1 0 395.572 3.918 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001172306697 905461309 /nfs/dbraw/zinc/46/13/09/905461309.db2.gz DLEOHTMKLCCESK-WDJPJFJCSA-N 1 0 398.547 3.556 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@H](C)Cc4ccc(C#N)cc4)C3)C2=O)c1 ZINC001172307105 905463047 /nfs/dbraw/zinc/46/30/47/905463047.db2.gz DVLJDOWMVYLBNK-CJFMBICVSA-N 1 0 387.527 3.922 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001172309897 905467821 /nfs/dbraw/zinc/46/78/21/905467821.db2.gz WBDCKORARPAUKZ-AMDXRBSFSA-N 1 0 389.543 3.507 20 30 GHEDRO COC(=O)c1ccc(N2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC001172313111 905469461 /nfs/dbraw/zinc/46/94/61/905469461.db2.gz PFJGDUTUNLMNDT-MRXNPFEDSA-N 1 0 397.906 3.751 20 30 GHEDRO COC(=O)c1ccc(CN2CCC([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172297101 905482741 /nfs/dbraw/zinc/48/27/41/905482741.db2.gz AUIBDDCXENVUFZ-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801578818 921152908 /nfs/dbraw/zinc/15/29/08/921152908.db2.gz GCFIGSODPZSOTI-WMZHIEFXSA-N 1 0 398.572 3.677 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2C[C@H](COCC(=O)N(C)C)C1 ZINC001172359396 905529147 /nfs/dbraw/zinc/52/91/47/905529147.db2.gz WGKDVRFQDKUTRF-WOJBJXKFSA-N 1 0 392.588 3.559 20 30 GHEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001172495154 905597732 /nfs/dbraw/zinc/59/77/32/905597732.db2.gz NELOQZMCCPIPSF-YWZLYKJASA-N 1 0 388.899 3.972 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC(c2cc3c(ncn3C)c(N3CCCC3)n2)CC1 ZINC001172495180 905598642 /nfs/dbraw/zinc/59/86/42/905598642.db2.gz NVYLSOMNBZNYNX-QGZVFWFLSA-N 1 0 380.540 3.830 20 30 GHEDRO C[C@H](CCCC#N)[N@@H+]1CCc2c(c(COc3ccccn3)nn2CC2CC2)C1 ZINC001172499898 905600204 /nfs/dbraw/zinc/60/02/04/905600204.db2.gz VHVSJGIYCBTRSS-QGZVFWFLSA-N 1 0 379.508 3.708 20 30 GHEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001172508874 905603493 /nfs/dbraw/zinc/60/34/93/905603493.db2.gz PXGQXQRJVLZHMQ-IBGZPJMESA-N 1 0 395.613 3.935 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC2CCC2)c(OC)c1 ZINC000801583557 921161983 /nfs/dbraw/zinc/16/19/83/921161983.db2.gz ZSVHQYBIFUFSGB-JOCHJYFZSA-N 1 0 380.488 3.911 20 30 GHEDRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CCC(=O)Nc1sccc1C#N ZINC000190369700 905996110 /nfs/dbraw/zinc/99/61/10/905996110.db2.gz NQWCCOBBDQUZFR-UHFFFAOYSA-N 1 0 397.422 3.978 20 30 GHEDRO C[NH+](C)CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172972400 906035218 /nfs/dbraw/zinc/03/52/18/906035218.db2.gz YBTSAUMBQAMZBR-SLFFLAALSA-N 1 0 386.540 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(Cc3ccccn3)CCC2)C[C@H]1C#N ZINC001172974226 906039580 /nfs/dbraw/zinc/03/95/80/906039580.db2.gz NBQSGVIYYDJIHZ-HKUYNNGSSA-N 1 0 384.524 3.676 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172978834 906045526 /nfs/dbraw/zinc/04/55/26/906045526.db2.gz ASWAGUVSBBYPKP-SQNIBIBYSA-N 1 0 385.508 3.776 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cn2)C[C@H]1C#N ZINC001172981202 906047706 /nfs/dbraw/zinc/04/77/06/906047706.db2.gz KNPVOVAUTBQFJE-CVEARBPZSA-N 1 0 398.429 3.524 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)s1 ZINC001173008179 906083794 /nfs/dbraw/zinc/08/37/94/906083794.db2.gz PGNWFGJEZGWNHZ-UHFFFAOYSA-N 1 0 378.404 3.565 20 30 GHEDRO CCC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000190633198 906184778 /nfs/dbraw/zinc/18/47/78/906184778.db2.gz GHQPCPDFYRQQSR-SFTDATJTSA-N 1 0 392.459 3.698 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001173203702 906287611 /nfs/dbraw/zinc/28/76/11/906287611.db2.gz CRXQHYZMAJXPOI-ZOGYUUGASA-N 1 0 381.520 3.912 20 30 GHEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001173221870 906300116 /nfs/dbraw/zinc/30/01/16/906300116.db2.gz QNVLVQQTBNRFSN-QGZVFWFLSA-N 1 0 378.476 3.652 20 30 GHEDRO Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190803013 906320128 /nfs/dbraw/zinc/32/01/28/906320128.db2.gz MWBSONRSILIPMB-UHFFFAOYSA-N 1 0 398.457 3.928 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)cs1 ZINC000178330637 906327769 /nfs/dbraw/zinc/32/77/69/906327769.db2.gz BXRSIJXOOCEXOO-GOSISDBHSA-N 1 0 391.500 3.824 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3cc(C#N)c(F)cc3Br)c2)CC1 ZINC001212716228 906353773 /nfs/dbraw/zinc/35/37/73/906353773.db2.gz XZWPDBHYSVSUQH-UHFFFAOYSA-N 1 0 389.272 3.955 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)CC1 ZINC001173320849 906370464 /nfs/dbraw/zinc/37/04/64/906370464.db2.gz FFJNJGKCNCICMT-QLOJAFMTSA-N 1 0 392.494 3.528 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)CC1 ZINC001173321256 906371206 /nfs/dbraw/zinc/37/12/06/906371206.db2.gz ZHSYLOLJPIIIBJ-LZBANZJXSA-N 1 0 382.548 3.981 20 30 GHEDRO N#CCC1CCC([NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC001173336807 906379921 /nfs/dbraw/zinc/37/99/21/906379921.db2.gz MPMYOIBQEPLTEI-UHFFFAOYSA-N 1 0 390.325 3.679 20 30 GHEDRO COc1cccc(OC)c1[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424790 906460363 /nfs/dbraw/zinc/46/03/63/906460363.db2.gz LAGHBWJUTIPHKS-INIZCTEOSA-N 1 0 393.487 3.531 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC001173429565 906466776 /nfs/dbraw/zinc/46/67/76/906466776.db2.gz ZONPKONAGITALV-LEWJYISDSA-N 1 0 379.891 3.962 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)CCO2 ZINC001173586789 906545409 /nfs/dbraw/zinc/54/54/09/906545409.db2.gz GZDZGVCOHKQITG-BLVDZXQRSA-N 1 0 377.529 3.607 20 30 GHEDRO COCC[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173601611 906553853 /nfs/dbraw/zinc/55/38/53/906553853.db2.gz WSDIXPSNISLESX-WBTXTPOCSA-N 1 0 379.545 3.807 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)CC2 ZINC001173624352 906573468 /nfs/dbraw/zinc/57/34/68/906573468.db2.gz WGOWZNZSXBCYDQ-BLDKCIGBSA-N 1 0 382.504 3.913 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000179781495 906596836 /nfs/dbraw/zinc/59/68/36/906596836.db2.gz FRNCTSRJCRPSCU-UHFFFAOYSA-N 1 0 389.499 3.598 20 30 GHEDRO C[NH+]1CCC(C#N)(N[C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173703511 906653423 /nfs/dbraw/zinc/65/34/23/906653423.db2.gz RLQRJUBCGYKUFJ-QFIPXVFZSA-N 1 0 375.516 3.700 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001173718395 906668831 /nfs/dbraw/zinc/66/88/31/906668831.db2.gz ZDLKWZXDRREZSV-IBGZPJMESA-N 1 0 391.515 3.552 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180213377 906717354 /nfs/dbraw/zinc/71/73/54/906717354.db2.gz FATSIZMLRGPLPE-UHFFFAOYSA-N 1 0 392.503 3.535 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(OCC#N)cc1 ZINC000181496434 907014145 /nfs/dbraw/zinc/01/41/45/907014145.db2.gz FBIWLDLFFUYCEG-MRXNPFEDSA-N 1 0 381.451 3.683 20 30 GHEDRO COc1ccc(Cn2cc(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)cn2)cc1 ZINC001174438353 907032867 /nfs/dbraw/zinc/03/28/67/907032867.db2.gz VDGRWAYAAVELEJ-UHFFFAOYSA-N 1 0 379.489 3.605 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000181605131 907035679 /nfs/dbraw/zinc/03/56/79/907035679.db2.gz YGTRHJZTEWDXDM-BZSNNMDCSA-N 1 0 377.488 3.658 20 30 GHEDRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000182026209 907117862 /nfs/dbraw/zinc/11/78/62/907117862.db2.gz XTXQGOCTKHRZEK-FZKQIMNGSA-N 1 0 375.266 3.736 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC3([C@H](O)c4ccccc4)CC3)CC2)cc1 ZINC000182063028 907126985 /nfs/dbraw/zinc/12/69/85/907126985.db2.gz KVIFIFQCRCGYFF-HSZRJFAPSA-N 1 0 375.516 3.626 20 30 GHEDRO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC001174892071 907272471 /nfs/dbraw/zinc/27/24/71/907272471.db2.gz ZFIREGUHEBOSPE-SFHVURJKSA-N 1 0 392.503 3.811 20 30 GHEDRO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCN(CC(F)(F)F)C1 ZINC001174965567 907314766 /nfs/dbraw/zinc/31/47/66/907314766.db2.gz NFJOIPXXCDQSBH-HNNXBMFYSA-N 1 0 375.822 3.701 20 30 GHEDRO N#CCc1ccccc1CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000777389371 907325572 /nfs/dbraw/zinc/32/55/72/907325572.db2.gz QJQSVYMCWARDSJ-UHFFFAOYSA-N 1 0 395.934 3.977 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3c(F)c(F)c(F)c(F)c3F)cc2C#N)CC1 ZINC001175385655 907531479 /nfs/dbraw/zinc/53/14/79/907531479.db2.gz XTIKMQYLBOFPSC-UHFFFAOYSA-N 1 0 382.336 3.749 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000192244815 907564441 /nfs/dbraw/zinc/56/44/41/907564441.db2.gz MTQPNELRHAOFAJ-HXUWFJFHSA-N 1 0 395.890 3.667 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)cn1 ZINC001176351890 908066655 /nfs/dbraw/zinc/06/66/55/908066655.db2.gz DPLBLGBQOKDNLD-UHFFFAOYSA-N 1 0 396.882 3.866 20 30 GHEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(I)cc1C ZINC001176771788 908259386 /nfs/dbraw/zinc/25/93/86/908259386.db2.gz VKFYAHAECIXUHS-OAHLLOKOSA-N 1 0 398.288 3.969 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001176932992 908306553 /nfs/dbraw/zinc/30/65/53/908306553.db2.gz UFWUZHRZUDFMSO-AVRDEDQJSA-N 1 0 391.556 3.687 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]2(CO)c2ccccc2)cc1Cl ZINC001176960166 908329050 /nfs/dbraw/zinc/32/90/50/908329050.db2.gz VIMYUTIFMALYKD-OAQYLSRUSA-N 1 0 383.879 3.524 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](C[C@@H](O)c3cccc(C#N)c3)C[C@@H]1CCCC2 ZINC001177021926 908367088 /nfs/dbraw/zinc/36/70/88/908367088.db2.gz IUZMHNRXFXRZCG-MZKRTTBSSA-N 1 0 399.535 3.609 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CCSCc1ccccc1C#N)C2 ZINC001177132313 908419493 /nfs/dbraw/zinc/41/94/93/908419493.db2.gz FVYAQORLMANUBU-UHFFFAOYSA-N 1 0 387.549 3.781 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177214713 908458439 /nfs/dbraw/zinc/45/84/39/908458439.db2.gz PBXQTIDMMLCTAJ-GOSISDBHSA-N 1 0 379.504 3.736 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NCCSCc2ccccc2C#N)[NH+](C)C)cc1 ZINC000195720479 909035311 /nfs/dbraw/zinc/03/53/11/909035311.db2.gz YHLXXHFRSMXFJJ-OAQYLSRUSA-N 1 0 396.560 3.702 20 30 GHEDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC001178469767 909068850 /nfs/dbraw/zinc/06/88/50/909068850.db2.gz VGXKCQKYPAECEA-OAQYLSRUSA-N 1 0 394.494 3.829 20 30 GHEDRO O=C(C#Cc1ccc(F)cc1F)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001178569256 909126580 /nfs/dbraw/zinc/12/65/80/909126580.db2.gz UJBWQDSTWKIWLU-RTWAWAEBSA-N 1 0 394.465 3.687 20 30 GHEDRO C#CCN(C(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001178740168 909210813 /nfs/dbraw/zinc/21/08/13/909210813.db2.gz YXBHXYZOVGYOST-SFQUDFHCSA-N 1 0 386.364 3.711 20 30 GHEDRO COc1ccc(CN(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1O ZINC000267418487 909490332 /nfs/dbraw/zinc/49/03/32/909490332.db2.gz VWWVLBDSAKIQOF-OAHLLOKOSA-N 1 0 399.516 3.866 20 30 GHEDRO N#Cc1ccc(OCCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795339075 909974182 /nfs/dbraw/zinc/97/41/82/909974182.db2.gz SEQLUCPXCBFBGL-SFHVURJKSA-N 1 0 393.256 3.552 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1S(=O)(=O)C(F)F ZINC000268803074 910024262 /nfs/dbraw/zinc/02/42/62/910024262.db2.gz LFMIWFPATWSVKS-OLZOCXBDSA-N 1 0 394.443 3.975 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC[C@@H]21 ZINC000268839016 910041413 /nfs/dbraw/zinc/04/14/13/910041413.db2.gz MUUYYIQGQBTLCQ-MJGOQNOKSA-N 1 0 395.532 3.554 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000269174830 910172039 /nfs/dbraw/zinc/17/20/39/910172039.db2.gz YGVHKRBWZFBPEO-GJZGRUSLSA-N 1 0 390.915 3.565 20 30 GHEDRO CC(C)CN(C(=O)C1CCN(c2ccccc2C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001180509834 910219517 /nfs/dbraw/zinc/21/95/17/910219517.db2.gz UBUXEYJVPZWHBK-MEMLXQNLSA-N 1 0 382.552 3.529 20 30 GHEDRO C[C@@H](OC(=O)C1CC[NH+](C2CC2)CC1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000801870898 921562809 /nfs/dbraw/zinc/56/28/09/921562809.db2.gz BPGGOUJPHSJDID-GRVPHDJPSA-N 1 0 396.531 3.673 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000270195051 910476691 /nfs/dbraw/zinc/47/66/91/910476691.db2.gz IGCKWZYKTIWAMV-SFTDATJTSA-N 1 0 396.535 3.948 20 30 GHEDRO CCCCCCC[C@@H](C)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001181133473 910561637 /nfs/dbraw/zinc/56/16/37/910561637.db2.gz SZYIVZFAQLXVJG-LJQANCHMSA-N 1 0 387.568 3.619 20 30 GHEDRO N#CC1(NC(=O)CCCCCCCCCO)CC[NH+](Cc2ccccc2)CC1 ZINC001181417162 910746329 /nfs/dbraw/zinc/74/63/29/910746329.db2.gz WQEWZBKUJNDQKI-UHFFFAOYSA-N 1 0 385.552 3.774 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000246935944 910773657 /nfs/dbraw/zinc/77/36/57/910773657.db2.gz HKFVMXZTZWAGMY-HZPDHXFCSA-N 1 0 389.594 3.702 20 30 GHEDRO CN(C)C(=O)COc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000271092094 910779443 /nfs/dbraw/zinc/77/94/43/910779443.db2.gz WVOOUTSPTWWHNY-UHFFFAOYSA-N 1 0 391.515 3.647 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)CC3)C1 ZINC001181546889 910831270 /nfs/dbraw/zinc/83/12/70/910831270.db2.gz OLFGUHXFOMKWHS-HSZRJFAPSA-N 1 0 399.538 3.831 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc(C#N)cc1 ZINC000271610164 910982518 /nfs/dbraw/zinc/98/25/18/910982518.db2.gz AXIPAXPOSCHLSE-MRXNPFEDSA-N 1 0 390.487 3.520 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3C)C2)cc1C#N ZINC001182340520 911510535 /nfs/dbraw/zinc/51/05/35/911510535.db2.gz IHHGKYFBJCQRJV-IBGZPJMESA-N 1 0 390.487 3.676 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283571011 911564845 /nfs/dbraw/zinc/56/48/45/911564845.db2.gz JNMOTTPLCFGOEB-UHFFFAOYSA-N 1 0 383.540 3.708 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000801957006 921681958 /nfs/dbraw/zinc/68/19/58/921681958.db2.gz UDDHPRPZABWWGB-BHDDXSALSA-N 1 0 385.458 3.683 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(=S)NC2(C)CC2)cc1 ZINC000284451276 911871620 /nfs/dbraw/zinc/87/16/20/911871620.db2.gz QARMULWRPLEJRP-UHFFFAOYSA-O 1 0 398.552 3.765 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CCCCC2)cc1OCC ZINC000642339788 911998921 /nfs/dbraw/zinc/99/89/21/911998921.db2.gz SOZPXBQBXZNKDW-UHFFFAOYSA-N 1 0 397.357 3.988 20 30 GHEDRO C[C@H](C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC001182798834 912029290 /nfs/dbraw/zinc/02/92/90/912029290.db2.gz KYAKKTHWSIEIFC-KDBCOVHDSA-N 1 0 393.490 3.765 20 30 GHEDRO CC#CCCCCCCCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001182768658 912037675 /nfs/dbraw/zinc/03/76/75/912037675.db2.gz HTKXXQYKLFRLPU-PKTZIBPZSA-N 1 0 397.563 3.637 20 30 GHEDRO CC#CCCCCCCCC(=O)N[C@]1(C(=O)OC)CC[N@H+](Cc2ccccc2)C1 ZINC001182770710 912039727 /nfs/dbraw/zinc/03/97/27/912039727.db2.gz VXFLFWGGWHSIHY-XMMPIXPASA-N 1 0 398.547 3.674 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000093278761 912151488 /nfs/dbraw/zinc/15/14/88/912151488.db2.gz PVBXFIXBVSVKSD-JOCHJYFZSA-N 1 0 389.499 3.724 20 30 GHEDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000285218717 912210802 /nfs/dbraw/zinc/21/08/02/912210802.db2.gz SDMIQVJMXONCHC-UHFFFAOYSA-N 1 0 379.479 3.756 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000303775304 915121969 /nfs/dbraw/zinc/12/19/69/915121969.db2.gz GRLIVTPBABPTGS-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO [NH2+]=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303793072 915131321 /nfs/dbraw/zinc/13/13/21/915131321.db2.gz YYQRXWLYVLKCRY-HNNXBMFYSA-N 1 0 382.386 3.742 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000303889836 915299907 /nfs/dbraw/zinc/29/99/07/915299907.db2.gz MEQLMLIBXZNFJF-UHFFFAOYSA-N 1 0 380.492 3.523 20 30 GHEDRO COc1cccc(NC(=[NH2+])NC[C@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000303892612 915300510 /nfs/dbraw/zinc/30/05/10/915300510.db2.gz NRUWNKPCVBZMFZ-HXUWFJFHSA-N 1 0 382.508 3.658 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000303905805 915306314 /nfs/dbraw/zinc/30/63/14/915306314.db2.gz ZOHNVKPIKSROGN-AWEZNQCLSA-N 1 0 382.291 3.722 20 30 GHEDRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)cn2)n1 ZINC000303904939 915306600 /nfs/dbraw/zinc/30/66/00/915306600.db2.gz VGGVMLLSTMKTLA-UHFFFAOYSA-N 1 0 378.480 3.598 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1OCCc2sccc21 ZINC000291740716 915342144 /nfs/dbraw/zinc/34/21/44/915342144.db2.gz OVMAVMSDFAFERW-KSFYIVLOSA-N 1 0 381.545 3.876 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCc2ccc(OC)c(OC(F)F)c2)cc1Cl ZINC000303988970 915349672 /nfs/dbraw/zinc/34/96/72/915349672.db2.gz XCAHCYMXSVRZLR-UHFFFAOYSA-N 1 0 399.825 3.928 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(Br)c3F)CC2)C1=O ZINC001275631882 915469918 /nfs/dbraw/zinc/46/99/18/915469918.db2.gz RSZYDLXREONLHM-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](CCCC2(C#N)CCOCC2)C2CC2)CC1 ZINC000366849321 921777315 /nfs/dbraw/zinc/77/73/15/921777315.db2.gz ZSSPUWOFOOTBGQ-UHFFFAOYSA-N 1 0 391.556 3.951 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001188005659 915684638 /nfs/dbraw/zinc/68/46/38/915684638.db2.gz QOEAUDFOVKEVOS-SFHVURJKSA-N 1 0 398.617 3.790 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000292872550 915883255 /nfs/dbraw/zinc/88/32/55/915883255.db2.gz SNZQUBHLVBEWGX-GUYCJALGSA-N 1 0 376.298 3.792 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(C#N)c1C ZINC000293167271 916042803 /nfs/dbraw/zinc/04/28/03/916042803.db2.gz GFUKQNUSXAHGSU-OAHLLOKOSA-N 1 0 399.466 3.616 20 30 GHEDRO COc1ccc(OC)c(CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305724973 916303149 /nfs/dbraw/zinc/30/31/49/916303149.db2.gz XKAXXNKSLWILLO-UHFFFAOYSA-N 1 0 397.397 3.962 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC001189253116 916497097 /nfs/dbraw/zinc/49/70/97/916497097.db2.gz GDEJSDLMURWUHR-OAHLLOKOSA-N 1 0 391.364 3.970 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000294456556 916813655 /nfs/dbraw/zinc/81/36/55/916813655.db2.gz BYFQQUXKILJYPH-UHFFFAOYSA-N 1 0 375.669 3.622 20 30 GHEDRO Cc1ccccc1[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000796421459 916870308 /nfs/dbraw/zinc/87/03/08/916870308.db2.gz XEUQHVSIWINJAK-QHCPKHFHSA-N 1 0 377.488 3.641 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCc3ccccc3Br)CC2)C1=O ZINC001275757359 916943359 /nfs/dbraw/zinc/94/33/59/916943359.db2.gz RLPZJBXIEJMGRW-HXUWFJFHSA-N 1 0 391.353 3.882 20 30 GHEDRO COc1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1OCCCC#N ZINC000294796957 916983582 /nfs/dbraw/zinc/98/35/82/916983582.db2.gz MMAFQYRIOAIUKG-UHFFFAOYSA-N 1 0 393.487 3.641 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000775336154 917001523 /nfs/dbraw/zinc/00/15/23/917001523.db2.gz ZKYVYYKODITFOX-INIZCTEOSA-N 1 0 390.487 3.520 20 30 GHEDRO C=CCOCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001190347364 917276098 /nfs/dbraw/zinc/27/60/98/917276098.db2.gz BBQSFUABPFCQHW-UHFFFAOYSA-N 1 0 387.505 3.644 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000775398887 917439769 /nfs/dbraw/zinc/43/97/69/917439769.db2.gz NEARIEAEXCCTSL-SELNLUPBSA-N 1 0 391.515 3.593 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccccc1 ZINC000775399999 917443106 /nfs/dbraw/zinc/44/31/06/917443106.db2.gz LGCBQDFMFCNEIQ-DNVCBOLYSA-N 1 0 385.305 3.981 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)ccc1OC ZINC000775408395 917544309 /nfs/dbraw/zinc/54/43/09/917544309.db2.gz JWQHYKMKUDAFJX-OHDICMOHSA-N 1 0 378.563 3.845 20 30 GHEDRO C=CCC1(S(=O)(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001190804952 917573523 /nfs/dbraw/zinc/57/35/23/917573523.db2.gz WKMZWFRQVYSGTA-UHFFFAOYSA-N 1 0 388.577 3.803 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(C)(C)O ZINC001190865343 917615240 /nfs/dbraw/zinc/61/52/40/917615240.db2.gz UECPGMPNIUXMRC-CQSZACIVSA-N 1 0 377.554 3.556 20 30 GHEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001191321239 917932286 /nfs/dbraw/zinc/93/22/86/917932286.db2.gz YHCKEEJHESMZSE-IIBYNOLFSA-N 1 0 376.431 3.508 20 30 GHEDRO COC[C@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000296918122 918904677 /nfs/dbraw/zinc/90/46/77/918904677.db2.gz WPDMLYYLRWMRRQ-HXUWFJFHSA-N 1 0 375.538 3.576 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000363949588 918999870 /nfs/dbraw/zinc/99/98/70/918999870.db2.gz AGXMCAGZWKWFEB-UHFFFAOYSA-N 1 0 389.459 3.652 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)c2)c1 ZINC000115373516 919450064 /nfs/dbraw/zinc/45/00/64/919450064.db2.gz MGCZOOKJPGHKTC-OAQYLSRUSA-N 1 0 389.499 3.884 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccco1 ZINC000116028331 919491346 /nfs/dbraw/zinc/49/13/46/919491346.db2.gz UORVMFJSGRSYJG-QGZVFWFLSA-N 1 0 380.448 3.656 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(C)(C)C ZINC000116128578 919498111 /nfs/dbraw/zinc/49/81/11/919498111.db2.gz MMESMJDQFCUYEF-FQEVSTJZSA-N 1 0 383.492 3.826 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000800288980 919846175 /nfs/dbraw/zinc/84/61/75/919846175.db2.gz FFPXZQRZMWGADB-ACJLOTCBSA-N 1 0 375.266 3.563 20 30 GHEDRO C=C[C@@H](CC(=O)N1CCC[C@H](N(C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697921 919868827 /nfs/dbraw/zinc/86/88/27/919868827.db2.gz PSGSBBYQKMRMDC-ICSRJNTNSA-N 1 0 382.508 3.551 20 30 GHEDRO CCCc1c(NC(=O)NC2CC[NH+](C(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000364759371 919956041 /nfs/dbraw/zinc/95/60/41/919956041.db2.gz YRIDJETYKJFBHD-UHFFFAOYSA-N 1 0 394.523 3.691 20 30 GHEDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cn1 ZINC000298465068 920569656 /nfs/dbraw/zinc/56/96/56/920569656.db2.gz RXQPUIXTDUXMES-KBPBESRZSA-N 1 0 385.537 3.640 20 30 GHEDRO Cn1cc(-c2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cn1 ZINC000367876063 922349688 /nfs/dbraw/zinc/34/96/88/922349688.db2.gz CDPRIBHNHDOUGT-UHFFFAOYSA-N 1 0 382.471 3.649 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)cc1Cl ZINC000368035019 922439903 /nfs/dbraw/zinc/43/99/03/922439903.db2.gz LHXRFFCTQWHBQU-MRXNPFEDSA-N 1 0 388.899 3.966 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc(C#N)c1 ZINC000902765441 922483220 /nfs/dbraw/zinc/48/32/20/922483220.db2.gz PPRLPMZEDPPBSG-OAQYLSRUSA-N 1 0 385.533 3.828 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000902871568 922572025 /nfs/dbraw/zinc/57/20/25/922572025.db2.gz QKZJGATWLCHUCL-QFIPXVFZSA-N 1 0 397.544 3.593 20 30 GHEDRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3cc(C#N)ccn3)nc12 ZINC000902951084 922632153 /nfs/dbraw/zinc/63/21/53/922632153.db2.gz KYCYOXAVWAAVFR-CYBMUJFWSA-N 1 0 384.281 3.565 20 30 GHEDRO C#CCCCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000368848181 922918105 /nfs/dbraw/zinc/91/81/05/922918105.db2.gz URKJWADQHKUXNQ-UHFFFAOYSA-N 1 0 377.326 3.755 20 30 GHEDRO C=C(C)COc1cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)ccc1OC ZINC000370041045 923821975 /nfs/dbraw/zinc/82/19/75/923821975.db2.gz CKXBAFGEBXCTHU-UHFFFAOYSA-N 1 0 382.508 3.541 20 30 GHEDRO C=CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)s1 ZINC000010128135 923839567 /nfs/dbraw/zinc/83/95/67/923839567.db2.gz PWQIGYJGLMKEAY-UHFFFAOYSA-N 1 0 391.924 3.806 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC000370565033 924174390 /nfs/dbraw/zinc/17/43/90/924174390.db2.gz FQBAUSHSDVSHBG-RTWAWAEBSA-N 1 0 395.890 3.693 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000370899287 924344194 /nfs/dbraw/zinc/34/41/94/924344194.db2.gz LSWJVKDCXCAISH-VXKWHMMOSA-N 1 0 384.568 3.504 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cn4c(cccc4C)n3)C2)CC1 ZINC001137295300 924347193 /nfs/dbraw/zinc/34/71/93/924347193.db2.gz JCZMDFQDOOMADU-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000371258773 924500474 /nfs/dbraw/zinc/50/04/74/924500474.db2.gz CUJYJCQIOZRGCB-UHFFFAOYSA-N 1 0 395.453 3.965 20 30 GHEDRO COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000827044209 924662623 /nfs/dbraw/zinc/66/26/23/924662623.db2.gz IUSFSUKJRSUCAB-OXQOHEQNSA-N 1 0 378.472 3.974 20 30 GHEDRO Cc1cc(NC(=O)c2cccc(C#N)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372084992 925135346 /nfs/dbraw/zinc/13/53/46/925135346.db2.gz ADCIUFJQRYMAIC-NRFANRHFSA-N 1 0 385.471 3.763 20 30 GHEDRO C[C@]1(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000409956624 925169635 /nfs/dbraw/zinc/16/96/35/925169635.db2.gz NNZWBEAHWGYFFH-XMMPIXPASA-N 1 0 399.498 3.528 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000411171282 926160531 /nfs/dbraw/zinc/16/05/31/926160531.db2.gz ZINZPCVQLITIBE-UTKZUKDTSA-N 1 0 377.488 3.799 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411169660 926162839 /nfs/dbraw/zinc/16/28/39/926162839.db2.gz UNQBOYGEJCOBMN-OAHLLOKOSA-N 1 0 396.447 3.714 20 30 GHEDRO CCOC(=O)c1ccc(N2CCC[N@H+](CCC3(C#N)CCCCC3)CC2)nc1 ZINC000411348216 926331670 /nfs/dbraw/zinc/33/16/70/926331670.db2.gz BVTUWXAKWMHPDF-UHFFFAOYSA-N 1 0 384.524 3.635 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@]3(C)CCCO)sc2C1 ZINC000411433573 926388858 /nfs/dbraw/zinc/38/88/58/926388858.db2.gz APGVAQVHDSZPTC-BTYIYWSLSA-N 1 0 389.565 3.700 20 30 GHEDRO CC(C)OC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411503839 926461505 /nfs/dbraw/zinc/46/15/05/926461505.db2.gz LGIZWGAYSRRZCX-FQEVSTJZSA-N 1 0 379.460 3.559 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000725850501 926467121 /nfs/dbraw/zinc/46/71/21/926467121.db2.gz BRXKTMDZEFUSTK-GOSISDBHSA-N 1 0 379.504 3.968 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411513549 926468545 /nfs/dbraw/zinc/46/85/45/926468545.db2.gz DPJZHGGLCFEOOA-GFCCVEGCSA-N 1 0 393.413 3.613 20 30 GHEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411566708 926515100 /nfs/dbraw/zinc/51/51/00/926515100.db2.gz ZYTYMSQVXGYHCN-SJORKVTESA-N 1 0 375.538 3.620 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1)C(C)C ZINC000726052781 926539196 /nfs/dbraw/zinc/53/91/96/926539196.db2.gz AGWAXIBJXMUUSR-KRWDZBQOSA-N 1 0 393.487 3.973 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726444606 926667781 /nfs/dbraw/zinc/66/77/81/926667781.db2.gz IWFNUQNLAATBHU-UHFFFAOYSA-N 1 0 385.924 3.772 20 30 GHEDRO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCC[C@H]2CC2CCCCC2)C1=O ZINC000726589429 926745760 /nfs/dbraw/zinc/74/57/60/926745760.db2.gz MJCBREYIFTVJAX-NRFANRHFSA-N 1 0 394.519 3.715 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000411816827 926810103 /nfs/dbraw/zinc/81/01/03/926810103.db2.gz MIOQRVICDUROGV-JOCHJYFZSA-N 1 0 377.488 3.770 20 30 GHEDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000749219937 927005821 /nfs/dbraw/zinc/00/58/21/927005821.db2.gz FYCOJSUXTNWOOJ-JOCHJYFZSA-N 1 0 378.520 3.847 20 30 GHEDRO COc1cccc([C@H](C)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)c1 ZINC000412016071 927009446 /nfs/dbraw/zinc/00/94/46/927009446.db2.gz VTYFUJLIVWYANX-PDIWNELESA-N 1 0 389.499 3.576 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCc3ccc(C#N)cc3F)cc2)CC1 ZINC000749284452 927033973 /nfs/dbraw/zinc/03/39/73/927033973.db2.gz RXHDQLOFNLAYHS-UHFFFAOYSA-N 1 0 381.451 3.585 20 30 GHEDRO N#CC1(NC(=O)c2ccccc2OC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000374897469 927670254 /nfs/dbraw/zinc/67/02/54/927670254.db2.gz MKNVUBLPLDIVEE-UHFFFAOYSA-N 1 0 385.414 3.576 20 30 GHEDRO CC(N=Nc1nc(-c2ccncc2)no1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000750947677 927942421 /nfs/dbraw/zinc/94/24/21/927942421.db2.gz BSYIYHIERAGATN-UHFFFAOYSA-N 1 0 392.463 3.659 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2nc(-c3ccncc3)no2)ccc1O ZINC000750947595 927943246 /nfs/dbraw/zinc/94/32/46/927943246.db2.gz AHWBWGREFKDYAZ-UHFFFAOYSA-N 1 0 380.452 3.515 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000750993058 927970400 /nfs/dbraw/zinc/97/04/00/927970400.db2.gz WAWZBLRLCORBBL-UHFFFAOYSA-N 1 0 396.604 3.765 20 30 GHEDRO CC(C)n1ncc2c1[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000375184923 928016867 /nfs/dbraw/zinc/01/68/67/928016867.db2.gz TZPJZEJOMLXXSG-JOCHJYFZSA-N 1 0 377.536 3.967 20 30 GHEDRO Brc1ccc(N=NCC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000751133013 928042935 /nfs/dbraw/zinc/04/29/35/928042935.db2.gz KPMSQJLLTQSHEK-UHFFFAOYSA-N 1 0 381.318 3.525 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)CC1 ZINC000751390642 928168418 /nfs/dbraw/zinc/16/84/18/928168418.db2.gz KHUSAMGRZIXXSE-UHFFFAOYSA-N 1 0 381.907 3.983 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(CCCO)CC3)sc2C1 ZINC000543916646 928566944 /nfs/dbraw/zinc/56/69/44/928566944.db2.gz BZQSXLAHPGYOFM-OAHLLOKOSA-N 1 0 389.565 3.558 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000467025136 928606664 /nfs/dbraw/zinc/60/66/64/928606664.db2.gz RJRKFVLXGNGCDP-YLJYHZDGSA-N 1 0 380.488 3.653 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1C#N ZINC000752295123 928736099 /nfs/dbraw/zinc/73/60/99/928736099.db2.gz PYMVPQQGNFZYBU-GOSISDBHSA-N 1 0 399.495 3.609 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C#N ZINC000752300469 928739800 /nfs/dbraw/zinc/73/98/00/928739800.db2.gz IENNCLPMJKACCY-UHFFFAOYSA-N 1 0 387.484 3.557 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(-c4ccccc4)ccc3O)C2=O)cc1 ZINC000752925421 929094227 /nfs/dbraw/zinc/09/42/27/929094227.db2.gz KVENUMNQCRUSCJ-HSZRJFAPSA-N 1 0 397.478 3.822 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)c2ccccc2OCC#N)C[N@@H+]1Cc1ccccc1 ZINC000753149172 929229637 /nfs/dbraw/zinc/22/96/37/929229637.db2.gz IADFZORJSUQVIS-ICSRJNTNSA-N 1 0 377.488 3.619 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000467711433 929326837 /nfs/dbraw/zinc/32/68/37/929326837.db2.gz BUHGMGAXWGKIRX-FOIQADDNSA-N 1 0 377.513 3.922 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000544684958 929442596 /nfs/dbraw/zinc/44/25/96/929442596.db2.gz QZWQDRIUUJTLTF-FCHUYYIVSA-N 1 0 391.540 3.877 20 30 GHEDRO CON=Cc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000753717791 929497737 /nfs/dbraw/zinc/49/77/37/929497737.db2.gz URPFEDFHBZCIBH-RXVVDRJESA-N 1 0 379.504 3.697 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2CCC)CC1 ZINC000469377864 929833840 /nfs/dbraw/zinc/83/38/40/929833840.db2.gz XBRXCQZQKOODQH-UHFFFAOYSA-N 1 0 380.536 3.904 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(-c3cccc(Cl)c3)ns2)CC1 ZINC000758036653 929899366 /nfs/dbraw/zinc/89/93/66/929899366.db2.gz TZBHAWLMGYBFPD-UHFFFAOYSA-N 1 0 377.901 3.630 20 30 GHEDRO O=C(/C=C\c1cnc2ccc(Cl)cn12)c1cc2c(s1)SCC(=O)N2 ZINC000758062045 929905873 /nfs/dbraw/zinc/90/58/73/929905873.db2.gz GFZVPASEPFHKBH-IHWYPQMZSA-N 1 0 375.862 3.990 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C[C@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000759038749 930251876 /nfs/dbraw/zinc/25/18/76/930251876.db2.gz FWHJXRALYRRCCK-NRFANRHFSA-N 1 0 387.886 3.592 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(F)c(C)cc1F)[n+]1ccc(CCC)cc1 ZINC000759062953 930261347 /nfs/dbraw/zinc/26/13/47/930261347.db2.gz HSDYWQWWRBDFRC-UHFFFAOYSA-O 1 0 387.475 3.947 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccccc3)CCOCC2)cc1C ZINC000759715542 930464144 /nfs/dbraw/zinc/46/41/44/930464144.db2.gz YFCXBYBTNYQRLF-UHFFFAOYSA-N 1 0 391.515 3.846 20 30 GHEDRO CC[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000780674114 930573791 /nfs/dbraw/zinc/57/37/91/930573791.db2.gz JSHARKKPUVZPEU-YLJYHZDGSA-N 1 0 392.503 3.936 20 30 GHEDRO CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470667393 930804630 /nfs/dbraw/zinc/80/46/30/930804630.db2.gz LWHBOTBAJLHTCX-HXUWFJFHSA-N 1 0 379.529 3.773 20 30 GHEDRO C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1=CC[N@H+](C)CC1 ZINC000781375285 930821727 /nfs/dbraw/zinc/82/17/27/930821727.db2.gz OGPKWEWBMYDEGH-HNNXBMFYSA-N 1 0 380.517 3.736 20 30 GHEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC1(c2ccccc2)CC1 ZINC000781931765 931034840 /nfs/dbraw/zinc/03/48/40/931034840.db2.gz CCVSYAATIPLHFT-IBGZPJMESA-N 1 0 382.467 3.887 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782391474 931204018 /nfs/dbraw/zinc/20/40/18/931204018.db2.gz LEBYNGHCPRRMIF-NQIIRXRSSA-N 1 0 389.421 3.909 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2)cc1 ZINC000782524282 931255754 /nfs/dbraw/zinc/25/57/54/931255754.db2.gz KFWVECNKHUQCIG-UHFFFAOYSA-N 1 0 394.406 3.723 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000557189286 931259328 /nfs/dbraw/zinc/25/93/28/931259328.db2.gz DXAKQOFCLYRZFL-JOCHJYFZSA-N 1 0 388.515 3.756 20 30 GHEDRO Cc1ccccc1[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CCC(C)CC1 ZINC000782768869 931330284 /nfs/dbraw/zinc/33/02/84/931330284.db2.gz AZHZHINMGHDSJX-LPGPMNDFSA-N 1 0 381.520 3.978 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C[NH+]1CCCC1 ZINC000557535309 931524632 /nfs/dbraw/zinc/52/46/32/931524632.db2.gz BOXGYGZSITYUAN-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO N#Cc1c(NCc2ccc(OCC[NH+]3CCCC3)cc2)nc2cc(Cl)ccn21 ZINC000557574024 931552639 /nfs/dbraw/zinc/55/26/39/931552639.db2.gz BYDRKKMYWLHWKO-UHFFFAOYSA-N 1 0 395.894 3.946 20 30 GHEDRO Cc1cc(C#N)nc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000557602424 931567991 /nfs/dbraw/zinc/56/79/91/931567991.db2.gz OMZNCUCLAIEJGO-QAPCUYQASA-N 1 0 389.425 3.592 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000783804149 931660333 /nfs/dbraw/zinc/66/03/33/931660333.db2.gz JEIRSJGGWGRHDJ-UHFFFAOYSA-N 1 0 395.879 3.659 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@H]21 ZINC000784518588 931923033 /nfs/dbraw/zinc/92/30/33/931923033.db2.gz UHTCPTMKBYCEBG-MISYRCLQSA-N 1 0 385.508 3.562 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926016268 932001969 /nfs/dbraw/zinc/00/19/69/932001969.db2.gz ANPXAXVTENAISW-XLIONFOSSA-N 1 0 392.503 3.894 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(-n2cnnc2)c1 ZINC000926236811 932094088 /nfs/dbraw/zinc/09/40/88/932094088.db2.gz PPCAGOGBOYRLLQ-YLZJTPGZSA-N 1 0 388.475 3.575 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000558672831 932156184 /nfs/dbraw/zinc/15/61/84/932156184.db2.gz SYCTUPVKVWUABF-MOPGFXCFSA-N 1 0 380.540 3.617 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926543897 932222213 /nfs/dbraw/zinc/22/22/13/932222213.db2.gz YSCSQNXCOPFMRS-MVCQKVDPSA-N 1 0 390.572 3.521 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000558895745 932298300 /nfs/dbraw/zinc/29/83/00/932298300.db2.gz IRTDJWSKGWNTRI-UNMCSNQZSA-N 1 0 398.457 3.589 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000797605552 932341979 /nfs/dbraw/zinc/34/19/79/932341979.db2.gz QNMYHYSHSCBYNV-FQEVSTJZSA-N 1 0 376.504 3.521 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000559034747 932384871 /nfs/dbraw/zinc/38/48/71/932384871.db2.gz VIMARQAHXIVQHM-OAHLLOKOSA-N 1 0 396.438 3.846 20 30 GHEDRO CCc1onc(C)c1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000927134642 932427035 /nfs/dbraw/zinc/42/70/35/932427035.db2.gz LHGKZAVGKOPGAA-OAHLLOKOSA-N 1 0 390.528 3.955 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c(O)c1 ZINC000798343262 932606166 /nfs/dbraw/zinc/60/61/66/932606166.db2.gz BICSIGXCUCMRJI-GGCUFHMLSA-N 1 0 379.504 3.847 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000798414810 932637615 /nfs/dbraw/zinc/63/76/15/932637615.db2.gz UUCVONPQZYJMDQ-JTHBVZDNSA-N 1 0 378.520 3.910 20 30 GHEDRO C[C@@]1(CNC(=O)CSc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798525055 932688346 /nfs/dbraw/zinc/68/83/46/932688346.db2.gz LCDGHEVBJKQDIV-QFIPXVFZSA-N 1 0 379.529 3.679 20 30 GHEDRO C[C@@]1(CNC(=O)Nc2ccc(F)cc2OCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000799220078 932922565 /nfs/dbraw/zinc/92/25/65/932922565.db2.gz FOURIHTVANRURI-QFIPXVFZSA-N 1 0 396.466 3.762 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)c2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000799426047 932999930 /nfs/dbraw/zinc/99/99/30/932999930.db2.gz RWYXIEXUKNVDIZ-GOSISDBHSA-N 1 0 377.488 3.612 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)c1 ZINC000560163802 933101798 /nfs/dbraw/zinc/10/17/98/933101798.db2.gz OOZAZIJDMWIKPN-MRXNPFEDSA-N 1 0 376.378 3.596 20 30 GHEDRO Cc1cc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)ccc1Br ZINC000560173996 933110581 /nfs/dbraw/zinc/11/05/81/933110581.db2.gz IRDRNHIBGQOABT-UHFFFAOYSA-N 1 0 384.277 3.847 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)n1 ZINC000560583667 933361804 /nfs/dbraw/zinc/36/18/04/933361804.db2.gz AIHRGTWVKQCMIA-SFHVURJKSA-N 1 0 389.356 3.687 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC001116381480 933525162 /nfs/dbraw/zinc/52/51/62/933525162.db2.gz XEPSCNNWYCZZLN-GGAORHGYSA-N 1 0 395.478 3.808 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)C1 ZINC001116568376 933637927 /nfs/dbraw/zinc/63/79/27/933637927.db2.gz UBYNCMHBPAPEFD-LPHOPBHVSA-N 1 0 379.932 3.709 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000560891667 933657519 /nfs/dbraw/zinc/65/75/19/933657519.db2.gz IXSWAXRPVGBSQL-GOSISDBHSA-N 1 0 391.496 3.900 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000929935391 933716276 /nfs/dbraw/zinc/71/62/76/933716276.db2.gz QELOILZWONWOFK-UHFFFAOYSA-N 1 0 396.535 3.639 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)c1 ZINC001117069803 933852281 /nfs/dbraw/zinc/85/22/81/933852281.db2.gz YVNFZILCRDAUQC-MRXNPFEDSA-N 1 0 377.271 3.884 20 30 GHEDRO Cc1ccc(C#N)c(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)n1 ZINC000561157491 933923808 /nfs/dbraw/zinc/92/38/08/933923808.db2.gz PUGRKJWZRPHLAH-UHFFFAOYSA-N 1 0 384.487 3.723 20 30 GHEDRO C[C@@]12CN(C(=O)Nc3ccc(OCC#N)cc3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC001119305479 934327476 /nfs/dbraw/zinc/32/74/76/934327476.db2.gz ANNXGDSMSXMVPA-WMZHIEFXSA-N 1 0 390.487 3.575 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000561707936 934383987 /nfs/dbraw/zinc/38/39/87/934383987.db2.gz UPZKSAZVPUMTLN-SFHVURJKSA-N 1 0 376.504 3.626 20 30 GHEDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000931488392 934580760 /nfs/dbraw/zinc/58/07/60/934580760.db2.gz RGKQOPXADHGUAZ-UHFFFAOYSA-N 1 0 381.480 3.797 20 30 GHEDRO C=CCn1c([C@@H]2CC=NO2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001121559609 934697644 /nfs/dbraw/zinc/69/76/44/934697644.db2.gz QAPVZKGSCALJNJ-IHPCNDPISA-N 1 0 394.523 3.573 20 30 GHEDRO C=CCn1c(-c2sc(C)nc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001121606038 934713103 /nfs/dbraw/zinc/71/31/03/934713103.db2.gz RLMQUUZCHVJGFQ-WMZOPIPTSA-N 1 0 398.580 3.658 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001121628432 934719439 /nfs/dbraw/zinc/71/94/39/934719439.db2.gz BUNBFAGGQWSNKQ-FQEVSTJZSA-N 1 0 399.583 3.963 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121671391 934733817 /nfs/dbraw/zinc/73/38/17/934733817.db2.gz RTMMKAIEJDOHSC-CWJKEVGVSA-N 1 0 390.535 3.753 20 30 GHEDRO CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001121813511 934770949 /nfs/dbraw/zinc/77/09/49/934770949.db2.gz PRNOVGZCWUZIEF-XZOQPEGZSA-N 1 0 392.551 3.592 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N(C)CC[NH+]2CCCCC2)n1Cc1ccccc1 ZINC001121999699 934801273 /nfs/dbraw/zinc/80/12/73/934801273.db2.gz QGXNNLNZWUQJLU-LJQANCHMSA-N 1 0 380.540 3.656 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(CCCCC#N)n2Cc2ccccc2)CC1 ZINC001122064872 934812354 /nfs/dbraw/zinc/81/23/54/934812354.db2.gz BGRDOTHPJATXEH-UHFFFAOYSA-N 1 0 380.540 3.530 20 30 GHEDRO CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000932282045 934866876 /nfs/dbraw/zinc/86/68/76/934866876.db2.gz DQJJXYNCSMEKTL-MOPGFXCFSA-N 1 0 376.928 3.979 20 30 GHEDRO C=C(C)Cn1c(COC2CCC2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122551617 934897725 /nfs/dbraw/zinc/89/77/25/934897725.db2.gz SRNAWHLDFUJQRS-UHFFFAOYSA-N 1 0 387.572 3.768 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122635514 934928731 /nfs/dbraw/zinc/92/87/31/934928731.db2.gz PATJOOLMDPPKJB-UHFFFAOYSA-N 1 0 381.615 3.690 20 30 GHEDRO COc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c(C#N)c1 ZINC001137699604 935731097 /nfs/dbraw/zinc/73/10/97/935731097.db2.gz NHJROGLVEKDXLW-HDICACEKSA-N 1 0 385.508 3.646 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC3(CCC(O)CC3)CC2)cc1 ZINC000830331029 935931717 /nfs/dbraw/zinc/93/17/17/935931717.db2.gz NWXDTUKFWQLPLU-LJQANCHMSA-N 1 0 383.536 3.647 20 30 GHEDRO C=CCC1(NC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)CCCC1 ZINC001220686343 1032064187 /nfs/dbraw/zinc/06/41/87/1032064187.db2.gz OFRGWRWBVMQQKE-NRFANRHFSA-N 1 0 384.568 3.553 20 30 GHEDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C[N@@H+]2C1 ZINC001625927721 1014424544 /nfs/dbraw/zinc/42/45/44/1014424544.db2.gz IALJVKYAZDAQNE-SZVBFZGTSA-N 1 0 376.460 3.804 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC001625928202 1014426062 /nfs/dbraw/zinc/42/60/62/1014426062.db2.gz XMVUWCCJWUTSGR-NRFANRHFSA-N 1 0 396.531 3.920 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000468010902 1015139170 /nfs/dbraw/zinc/13/91/70/1015139170.db2.gz CSHUIOZKXUPAQM-HZPDHXFCSA-N 1 0 376.460 3.622 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)on2)c1 ZINC000468256094 1015511826 /nfs/dbraw/zinc/51/18/26/1015511826.db2.gz ULBVFDVGBFWUPT-OAQYLSRUSA-N 1 0 386.455 3.780 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000468339132 1015599772 /nfs/dbraw/zinc/59/97/72/1015599772.db2.gz QFFICRUEUMJOEA-UHFFFAOYSA-N 1 0 386.540 3.622 20 30 GHEDRO CCCNc1ccc(C#N)cc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000469123963 1016522778 /nfs/dbraw/zinc/52/27/78/1016522778.db2.gz XCIICVIRGUZEBD-UHFFFAOYSA-N 1 0 391.519 3.531 20 30 GHEDRO COc1cc(C[NH2+]C(C)(C)c2cnn(C)c2)ccc1OCc1cccc(C#N)c1 ZINC000547414293 1016916653 /nfs/dbraw/zinc/91/66/53/1016916653.db2.gz QUNUBRJNWFCQMZ-UHFFFAOYSA-N 1 0 390.487 3.904 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1-n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001154845543 1032306655 /nfs/dbraw/zinc/30/66/55/1032306655.db2.gz CATRTVHBNJFGER-UHFFFAOYSA-N 1 0 375.379 3.532 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)NC[C@@H]3C[C@H](F)C[NH2+]3)cnc2Cl)cc1 ZINC001155039186 1032390428 /nfs/dbraw/zinc/39/04/28/1032390428.db2.gz BGDFZKSAOLESKC-GJZGRUSLSA-N 1 0 380.801 3.613 20 30 GHEDRO C#CCN1CC[C@@]2(CCN(Cc3cc(F)cc(C(F)(F)F)c3Cl)C2)C1=O ZINC001277205062 1032402079 /nfs/dbraw/zinc/40/20/79/1032402079.db2.gz CKOMMGKDHNMEBT-QGZVFWFLSA-N 1 0 388.792 3.556 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c2ccccc2c1 ZINC001277235535 1032535542 /nfs/dbraw/zinc/53/55/42/1032535542.db2.gz QHBQTZAIIRHPEA-WOJBJXKFSA-N 1 0 397.316 3.801 20 30 GHEDRO Cc1ccc2c(c1)[C@H](Nc1nc(Cl)c(C#N)cc1C#N)CC21CC[NH2+]CC1 ZINC001155436706 1032541807 /nfs/dbraw/zinc/54/18/07/1032541807.db2.gz PTBXULNQTGVUAW-GOSISDBHSA-N 1 0 377.879 3.965 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001155462858 1032551968 /nfs/dbraw/zinc/55/19/68/1032551968.db2.gz RBXGQTDXUGSUHZ-ZDUSSCGKSA-N 1 0 383.858 3.922 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(Br)c(OC(F)(F)F)c1 ZINC001227854493 1032649408 /nfs/dbraw/zinc/64/94/08/1032649408.db2.gz ZDYBXXGJNACCIP-LLVKDONJSA-N 1 0 382.200 3.715 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1F ZINC001227879732 1032664328 /nfs/dbraw/zinc/66/43/28/1032664328.db2.gz UZQMUMWDSZUDKT-RIFZZMRRSA-N 1 0 381.407 3.895 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)ccc1OC ZINC000925398584 1017078537 /nfs/dbraw/zinc/07/85/37/1017078537.db2.gz ZFVZIRAFBOOJBD-UZLBHIALSA-N 1 0 391.475 3.808 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926025260 1017203232 /nfs/dbraw/zinc/20/32/32/1017203232.db2.gz OOVFPSOXCILMIX-UPJWGTAASA-N 1 0 386.443 3.824 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CCC)CC1 ZINC000558995945 1017332837 /nfs/dbraw/zinc/33/28/37/1017332837.db2.gz TXHLQWRNDKPUCX-KRWDZBQOSA-N 1 0 387.503 3.665 20 30 GHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 ZINC000927007696 1017337999 /nfs/dbraw/zinc/33/79/99/1017337999.db2.gz FSZYEPNNDZTEPB-SJORKVTESA-N 1 0 380.529 3.654 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000927718968 1017445137 /nfs/dbraw/zinc/44/51/37/1017445137.db2.gz XLKBMLHOLCKAQN-WXFJXSOESA-N 1 0 380.488 3.692 20 30 GHEDRO CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cccc4c[nH+]cn43)c(C#N)c21 ZINC001155786855 1032704738 /nfs/dbraw/zinc/70/47/38/1032704738.db2.gz JGPDCTFFJQLJFC-ZDUSSCGKSA-N 1 0 394.456 3.503 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560267135 1017580602 /nfs/dbraw/zinc/58/06/02/1017580602.db2.gz OHJUQBYSVFBCNI-QGZVFWFLSA-N 1 0 387.483 3.992 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1c(F)cccc1C#N ZINC000560589411 1017672483 /nfs/dbraw/zinc/67/24/83/1017672483.db2.gz YHNWBTAOTSPLMU-IAGOWNOFSA-N 1 0 379.479 3.513 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561186783 1017803750 /nfs/dbraw/zinc/80/37/50/1017803750.db2.gz ZXVZNFMFUCDVQH-IFXJQAMLSA-N 1 0 384.430 3.583 20 30 GHEDRO C#CCN(Cc1c(C)noc1CC)C1CC[NH+](Cc2c(C)noc2CC)CC1 ZINC000931590853 1018010576 /nfs/dbraw/zinc/01/05/76/1018010576.db2.gz LCBGSRYNSLHDFB-UHFFFAOYSA-N 1 0 384.524 3.504 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(Cl)cn1 ZINC000562141043 1018052660 /nfs/dbraw/zinc/05/26/60/1018052660.db2.gz KBJPCULCBWQMTK-UHFFFAOYSA-N 1 0 377.945 3.833 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000932141108 1018117798 /nfs/dbraw/zinc/11/77/98/1018117798.db2.gz QFQXFFJZSJCEJT-KRWDZBQOSA-N 1 0 399.535 3.682 20 30 GHEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000932927331 1018758308 /nfs/dbraw/zinc/75/83/08/1018758308.db2.gz VGXQIFKZJQJSGZ-OAQYLSRUSA-N 1 0 378.501 3.579 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000563599439 1018934116 /nfs/dbraw/zinc/93/41/16/1018934116.db2.gz PTENGHOMODANEE-SFHVURJKSA-N 1 0 392.551 3.783 20 30 GHEDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccccc4C#N)C3)C2)cc1 ZINC001204367720 1032808187 /nfs/dbraw/zinc/80/81/87/1032808187.db2.gz PGNZBQCSCHQNLR-XMMPIXPASA-N 1 0 391.515 3.686 20 30 GHEDRO COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@H+](Cc1ccccc1C#N)CC2 ZINC001204367691 1032808766 /nfs/dbraw/zinc/80/87/66/1032808766.db2.gz PBVVTQOLEMPPFU-UHFFFAOYSA-N 1 0 387.439 3.601 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccc3C#N)O2)cs1 ZINC001204371589 1032812882 /nfs/dbraw/zinc/81/28/82/1032812882.db2.gz WQVGERXPRRNFLC-NJDAHSKKSA-N 1 0 383.517 3.662 20 30 GHEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000569484591 1019496553 /nfs/dbraw/zinc/49/65/53/1019496553.db2.gz ASTCHUKASZWQHM-KRWDZBQOSA-N 1 0 398.308 3.817 20 30 GHEDRO C#CC[C@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000778719834 1019512146 /nfs/dbraw/zinc/51/21/46/1019512146.db2.gz UJKOHYQWSURTIL-PMOQBDJRSA-N 1 0 375.516 3.961 20 30 GHEDRO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1F ZINC001204414905 1032844517 /nfs/dbraw/zinc/84/45/17/1032844517.db2.gz JZQGGVMPRXREJG-OLZOCXBDSA-N 1 0 375.284 3.813 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@H](O)CC2)cc1OCC ZINC000570913427 1019652289 /nfs/dbraw/zinc/65/22/89/1019652289.db2.gz BMCAAMVECNBIKY-HNNXBMFYSA-N 1 0 384.314 3.759 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCC#Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000573627648 1019834884 /nfs/dbraw/zinc/83/48/84/1019834884.db2.gz LAHDHAWBCSHOIA-XXBNENTESA-N 1 0 393.506 3.872 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000574931261 1019918834 /nfs/dbraw/zinc/91/88/34/1019918834.db2.gz IIXMMKMZCNZUNZ-LADGPHEKSA-N 1 0 390.531 3.585 20 30 GHEDRO N#Cc1ccc(N2CCCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)nc1 ZINC001204484923 1032919273 /nfs/dbraw/zinc/91/92/73/1032919273.db2.gz NLMWSYOIQWOIRL-UHFFFAOYSA-N 1 0 378.373 3.823 20 30 GHEDRO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190605303 1020707356 /nfs/dbraw/zinc/70/73/56/1020707356.db2.gz OGRPSAWWKZSRBK-JXFKEZNVSA-N 1 0 379.529 3.602 20 30 GHEDRO CCOc1cc(C#N)cc(Br)c1OC1CC[NH+](CCCOC)CC1 ZINC001228423549 1032930165 /nfs/dbraw/zinc/93/01/65/1032930165.db2.gz KVJHLZOUWBJJSH-UHFFFAOYSA-N 1 0 397.313 3.599 20 30 GHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc(C)c1Br ZINC000192418803 1020874075 /nfs/dbraw/zinc/87/40/75/1020874075.db2.gz DPRPFDODXGAJHH-UHFFFAOYSA-N 1 0 381.318 3.765 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(-c3cncnc3)cc1)CCO2 ZINC001140355408 1021483399 /nfs/dbraw/zinc/48/33/99/1021483399.db2.gz TXYIHFHOHSTFAV-DHIUTWEWSA-N 1 0 379.504 3.717 20 30 GHEDRO COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(OC)c1 ZINC000834881517 1021606127 /nfs/dbraw/zinc/60/61/27/1021606127.db2.gz RUFFYCSTSBVEFY-JKSUJKDBSA-N 1 0 384.476 3.897 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)ccc1S(=O)(=O)C(F)F ZINC000834903363 1021654692 /nfs/dbraw/zinc/65/46/92/1021654692.db2.gz OOYSYIZESBZRJF-LLVKDONJSA-N 1 0 398.406 3.553 20 30 GHEDRO Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC001228625486 1033015426 /nfs/dbraw/zinc/01/54/26/1033015426.db2.gz AWJJWBZCPBWMEF-FXAWDEMLSA-N 1 0 382.533 3.811 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001140599146 1022042596 /nfs/dbraw/zinc/04/25/96/1022042596.db2.gz RKBKVUNQZNYOQQ-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO N#Cc1c(F)cc(C[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)cc1F ZINC001140752602 1022435053 /nfs/dbraw/zinc/43/50/53/1022435053.db2.gz XCYBLRZCNLLPTJ-UHFFFAOYSA-N 1 0 387.474 3.841 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3cc(F)c(C#N)c(F)c3)C[C@H]12 ZINC001140757759 1022447946 /nfs/dbraw/zinc/44/79/46/1022447946.db2.gz RJBRDVHYQGMODE-XZOQPEGZSA-N 1 0 395.453 3.601 20 30 GHEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001140779645 1022504418 /nfs/dbraw/zinc/50/44/18/1022504418.db2.gz UVXXVWFKGRPQHN-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2cccc(C#N)c2Cl)C3)n1 ZINC001140813668 1022611334 /nfs/dbraw/zinc/61/13/34/1022611334.db2.gz QKTJZSVYIMDASJ-KNQAVFIVSA-N 1 0 397.906 3.580 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000836251928 1022772175 /nfs/dbraw/zinc/77/21/75/1022772175.db2.gz RQXAQHRUYZNRKV-UHFFFAOYSA-N 1 0 390.940 3.526 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754727275 1022862149 /nfs/dbraw/zinc/86/21/49/1022862149.db2.gz VSIUVCDNFDVNGO-QGZVFWFLSA-N 1 0 390.524 3.818 20 30 GHEDRO C#Cc1ccc(CNC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000836541754 1023094607 /nfs/dbraw/zinc/09/46/07/1023094607.db2.gz JHYFQRDDYMCSMG-HSZRJFAPSA-N 1 0 375.516 3.722 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)ccc1OC ZINC000756029361 1023484347 /nfs/dbraw/zinc/48/43/47/1023484347.db2.gz ZUFKWLYOKJFJDV-CRAIPNDOSA-N 1 0 387.505 3.974 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000756091790 1023518534 /nfs/dbraw/zinc/51/85/34/1023518534.db2.gz SWPKGDUDCPQHDB-NRFANRHFSA-N 1 0 390.531 3.770 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001141109061 1023521711 /nfs/dbraw/zinc/52/17/11/1023521711.db2.gz MCBJTWJQEFGVTD-NEPJUHHUSA-N 1 0 398.960 3.838 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]2C1 ZINC001141114285 1023531843 /nfs/dbraw/zinc/53/18/43/1023531843.db2.gz KQZBKJBLRJAKMP-VXGBXAGGSA-N 1 0 396.944 3.544 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1=O ZINC001141116806 1023536350 /nfs/dbraw/zinc/53/63/50/1023536350.db2.gz NQQHUHOADHAWAR-QHCPKHFHSA-N 1 0 379.479 3.888 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(F)(F)F)C1 ZINC000837017651 1023565502 /nfs/dbraw/zinc/56/55/02/1023565502.db2.gz CDUDXNTXLMJXNM-WDMOLILDSA-N 1 0 392.359 3.931 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001156636296 1033148428 /nfs/dbraw/zinc/14/84/28/1033148428.db2.gz WTPDEWUIMZWRRJ-UHFFFAOYSA-N 1 0 396.853 3.633 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000756551118 1023710708 /nfs/dbraw/zinc/71/07/08/1023710708.db2.gz GOVYXQVHRZUVST-QGZVFWFLSA-N 1 0 391.558 3.575 20 30 GHEDRO C#CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000757058122 1023922788 /nfs/dbraw/zinc/92/27/88/1023922788.db2.gz AMFRSOWSCLDOSC-HSZRJFAPSA-N 1 0 375.516 3.977 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(F)cc3C#N)C[C@H]21 ZINC001141164839 1023992466 /nfs/dbraw/zinc/99/24/66/1023992466.db2.gz KZJCRPYDSHGJFP-SXSPYAJSSA-N 1 0 378.495 3.825 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC001138150841 1024244290 /nfs/dbraw/zinc/24/42/90/1024244290.db2.gz AMQJNUDMZMWAEM-HXUWFJFHSA-N 1 0 386.521 3.749 20 30 GHEDRO O=C1[C@@H]([NH2+]CC#Cc2ccccc2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001204993818 1033200048 /nfs/dbraw/zinc/20/00/48/1033200048.db2.gz YUIWEKSINRORHH-FQEVSTJZSA-N 1 0 386.417 3.838 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C12CCCC2 ZINC000831021995 1024312621 /nfs/dbraw/zinc/31/26/21/1024312621.db2.gz PLUJTRMOCXGZRJ-MOPGFXCFSA-N 1 0 385.508 3.503 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)c(OC)cc1F)[C@H]2CC ZINC001141277730 1024366485 /nfs/dbraw/zinc/36/64/85/1024366485.db2.gz JEPFDHPDYKLIOO-UNMCSNQZSA-N 1 0 390.499 3.765 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCCCC[NH3+])cc1 ZINC000831257131 1024456092 /nfs/dbraw/zinc/45/60/92/1024456092.db2.gz PJGOUMURXRQLQL-UHFFFAOYSA-N 1 0 382.483 3.928 20 30 GHEDRO Cc1c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c2ccccc2n1C ZINC001138256808 1024481951 /nfs/dbraw/zinc/48/19/51/1024481951.db2.gz LHTDRHHBNZHHON-VWLOTQADSA-N 1 0 398.510 3.987 20 30 GHEDRO CC(C)(C)[N@@H+]1CCN[C@@H](c2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)C1 ZINC001205024972 1033218411 /nfs/dbraw/zinc/21/84/11/1033218411.db2.gz FYGBHGCTEBZDMH-CQSZACIVSA-N 1 0 380.279 3.660 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1)c1cccnc1 ZINC001138336033 1024698355 /nfs/dbraw/zinc/69/83/55/1024698355.db2.gz IBNJWASQQZXXFV-UHFFFAOYSA-N 1 0 395.506 3.876 20 30 GHEDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)c1 ZINC001138433898 1024838942 /nfs/dbraw/zinc/83/89/42/1024838942.db2.gz DMZDXYMFQPOQRU-DEOSSOPVSA-N 1 0 389.499 3.894 20 30 GHEDRO CN(C)C(=O)c1cc2cnc(NCc3ccccc3C#N)nc2n1C1CCCC1 ZINC001156785994 1033241309 /nfs/dbraw/zinc/24/13/09/1033241309.db2.gz SBXXDGSLPLEJHR-UHFFFAOYSA-N 1 0 388.475 3.732 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC)c(Cl)c3)C2)C1 ZINC001138469250 1024896789 /nfs/dbraw/zinc/89/67/89/1024896789.db2.gz YDDFJMDZFWPIRV-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCCC3(CCN(C(=O)OCC=C)CC3)C2)cc1 ZINC001138554902 1025011519 /nfs/dbraw/zinc/01/15/19/1025011519.db2.gz HMOQHEQAQKBVJE-UHFFFAOYSA-N 1 0 382.504 3.699 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cc1 ZINC001138557920 1025020421 /nfs/dbraw/zinc/02/04/21/1025020421.db2.gz WPVXLICKDCTSMG-UHFFFAOYSA-N 1 0 376.456 3.622 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1O ZINC001138627473 1025126687 /nfs/dbraw/zinc/12/66/87/1025126687.db2.gz IYQZXJMDOYUGGR-DZFGPLHGSA-N 1 0 380.488 3.574 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)COCCN(c2nccs2)C3)c1O ZINC001138627892 1025129290 /nfs/dbraw/zinc/12/92/90/1025129290.db2.gz PPQIXQVLBNWKLH-UHFFFAOYSA-N 1 0 399.560 3.696 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC12CCOCC2 ZINC000832030994 1025151347 /nfs/dbraw/zinc/15/13/47/1025151347.db2.gz UGZIPXDQPJRAKA-FQEVSTJZSA-N 1 0 399.535 3.506 20 30 GHEDRO C=CC[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccncc1 ZINC000838478128 1025160481 /nfs/dbraw/zinc/16/04/81/1025160481.db2.gz SZAONWUZMMPCQK-KRWDZBQOSA-N 1 0 384.446 3.757 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001138660837 1025179672 /nfs/dbraw/zinc/17/96/72/1025179672.db2.gz DWWUHTXILBXUAW-GGAORHGYSA-N 1 0 377.532 3.990 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001138661258 1025180742 /nfs/dbraw/zinc/18/07/42/1025180742.db2.gz QTZZLEYFURLKEE-XUZZJYLKSA-N 1 0 376.500 3.747 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001138664597 1025187250 /nfs/dbraw/zinc/18/72/50/1025187250.db2.gz RSDZLADJRRPSDZ-NRFANRHFSA-N 1 0 391.515 3.675 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000838589721 1025223581 /nfs/dbraw/zinc/22/35/81/1025223581.db2.gz QRFWQMRLCGGLKH-SFHVURJKSA-N 1 0 395.469 3.679 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)n3ccc(C[NH3+])cc3=N)cnc2Cl)cc1 ZINC001156856317 1033281414 /nfs/dbraw/zinc/28/14/14/1033281414.db2.gz QFXZWRVKNYYGJI-UHFFFAOYSA-N 1 0 385.805 3.611 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(F)cnc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001138892904 1025541205 /nfs/dbraw/zinc/54/12/05/1025541205.db2.gz SOAZZDYQBLMMCE-KNQAVFIVSA-N 1 0 399.897 3.878 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c4cc[nH]c4ncc3Cl)C2)C1 ZINC001138947135 1025633405 /nfs/dbraw/zinc/63/34/05/1025633405.db2.gz PWTPIBRTDQJLBC-FQEVSTJZSA-N 1 0 388.899 3.778 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839158875 1025661480 /nfs/dbraw/zinc/66/14/80/1025661480.db2.gz YQLNFJIMJWJJRK-YWZLYKJASA-N 1 0 380.479 3.523 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OCC)c(OCC)c1)C2 ZINC001138974156 1025696078 /nfs/dbraw/zinc/69/60/78/1025696078.db2.gz LFIVKAVHBJDUGV-UGKGYDQZSA-N 1 0 375.509 3.810 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)C1 ZINC000839188764 1025707136 /nfs/dbraw/zinc/70/71/36/1025707136.db2.gz LYZSYQFNRKAYST-QUCCMNQESA-N 1 0 384.524 3.955 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(CNc3c(Br)cccc3C#N)c2)CC1 ZINC001162412927 1025739378 /nfs/dbraw/zinc/73/93/78/1025739378.db2.gz FMRMZYLRPXTYFZ-UHFFFAOYSA-N 1 0 399.336 3.680 20 30 GHEDRO COc1cccc2c1CC[C@H](CCCNc1ncc3c(c1C#N)CCC[NH2+]C3)C2 ZINC001162556134 1025792343 /nfs/dbraw/zinc/79/23/43/1025792343.db2.gz YRIXAQGKMUKXMB-KRWDZBQOSA-N 1 0 390.531 3.995 20 30 GHEDRO N#C[C@@H](c1ccc(-n2cncc2-c2cccc(C[NH3+])c2)nn1)c1ccccc1F ZINC001162565355 1025798234 /nfs/dbraw/zinc/79/82/34/1025798234.db2.gz QBWGGECKNNZRRD-GOSISDBHSA-N 1 0 384.418 3.583 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(NC(=O)c2ccccc2OC)CC1 ZINC001139030526 1025798844 /nfs/dbraw/zinc/79/88/44/1025798844.db2.gz IVXLLPCCRBBMDL-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCc2nc(C(=O)N(CC)CC)sc2CC1 ZINC001139029379 1025799255 /nfs/dbraw/zinc/79/92/55/1025799255.db2.gz WCVIMQNJFNCIRA-UHFFFAOYSA-N 1 0 399.560 3.791 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001139031296 1025800406 /nfs/dbraw/zinc/80/04/06/1025800406.db2.gz UDGMPAORKMCXSA-OAHLLOKOSA-N 1 0 379.382 3.714 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001139031302 1025800442 /nfs/dbraw/zinc/80/04/42/1025800442.db2.gz UIZYMAZLGSFGTB-UHFFFAOYSA-N 1 0 390.487 3.909 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@]2(C[C@@H](OCc3cccc(C)n3)CO2)C1 ZINC001139032457 1025803834 /nfs/dbraw/zinc/80/38/34/1025803834.db2.gz OIPCGILYRZQGHL-VWNXMTODSA-N 1 0 394.515 3.905 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1(C)C ZINC001162903806 1025960793 /nfs/dbraw/zinc/96/07/93/1025960793.db2.gz FQTWXTNISUZSPD-LEWJYISDSA-N 1 0 377.488 3.596 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001162995078 1026000382 /nfs/dbraw/zinc/00/03/82/1026000382.db2.gz RSRYWUMTXUKNKL-YCRPNKLZSA-N 1 0 387.443 3.947 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(NCC[C@H]2C[NH2+]Cc3cccn3C2)n1 ZINC001163056371 1026028686 /nfs/dbraw/zinc/02/86/86/1026028686.db2.gz PYAQPGIXIUJQLC-KRWDZBQOSA-N 1 0 395.551 3.818 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163060987 1026031508 /nfs/dbraw/zinc/03/15/08/1026031508.db2.gz QAQUZFFYSJJBRL-LBPRGKRZSA-N 1 0 393.716 3.997 20 30 GHEDRO N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163073532 1026034837 /nfs/dbraw/zinc/03/48/37/1026034837.db2.gz LQDBEPLOBHSODH-AWEZNQCLSA-N 1 0 396.800 3.569 20 30 GHEDRO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CCC[C@@]1(O)C(F)(F)F ZINC001141654541 1026090566 /nfs/dbraw/zinc/09/05/66/1026090566.db2.gz CERLPAIZDUGDBE-ABAIWWIYSA-N 1 0 391.231 3.846 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163226275 1026096254 /nfs/dbraw/zinc/09/62/54/1026096254.db2.gz DYMYPFUXCZOCQF-AWEZNQCLSA-N 1 0 385.836 3.986 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1cc(C#N)cc(Cl)n1)c1ccc(Cl)cc1 ZINC001163384895 1026171503 /nfs/dbraw/zinc/17/15/03/1026171503.db2.gz CVXKVGCRAWJIRJ-MRXNPFEDSA-N 1 0 379.291 3.991 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001163473185 1026207460 /nfs/dbraw/zinc/20/74/60/1026207460.db2.gz LGBDLSWUFGMXSC-UHFFFAOYSA-N 1 0 377.826 3.933 20 30 GHEDRO C[N@@H+]1CCN(c2ccc([C@H](C#N)c3ccccc3F)nn2)[C@@H](c2ccccc2)C1 ZINC001163671299 1026275977 /nfs/dbraw/zinc/27/59/77/1026275977.db2.gz BNHCLLKZHHRSCQ-DENIHFKCSA-N 1 0 387.462 3.764 20 30 GHEDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406429 1026278912 /nfs/dbraw/zinc/27/89/12/1026278912.db2.gz SHWQIHMLTVPVSD-UHFFFAOYSA-N 1 0 380.492 3.967 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CC[C@H](N4Cc5ccccc5C4=O)C3)cc2)c1 ZINC001139406292 1026279334 /nfs/dbraw/zinc/27/93/34/1026279334.db2.gz PDHPVUDZNCQXAZ-QFIPXVFZSA-N 1 0 394.478 3.851 20 30 GHEDRO CC(C)(C)NS(=O)(=O)c1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC001163680600 1026281042 /nfs/dbraw/zinc/28/10/42/1026281042.db2.gz RYOBXWVZQXCZQV-UHFFFAOYSA-N 1 0 399.438 3.819 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c3ccccc3[nH]c1C(=O)OCC)C2 ZINC001139464071 1026329649 /nfs/dbraw/zinc/32/96/49/1026329649.db2.gz JWQYIAVEACHYJG-SBUREZEXSA-N 1 0 398.503 3.671 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2CF)CC1 ZINC001139526604 1026382862 /nfs/dbraw/zinc/38/28/62/1026382862.db2.gz AMMZCBALXGDREL-IRXDYDNUSA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)cc1F ZINC001139528515 1026386961 /nfs/dbraw/zinc/38/69/61/1026386961.db2.gz PZOJJIAFOBBQKM-UHFFFAOYSA-N 1 0 392.478 3.611 20 30 GHEDRO C[C@H]1CC[C@H](C[NH3+])N(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001164077882 1026404540 /nfs/dbraw/zinc/40/45/40/1026404540.db2.gz KYQRQMTWPZDMBV-SWLSCSKDSA-N 1 0 391.853 3.777 20 30 GHEDRO C[C@]1(CNC(=O)[C@@H](C#N)CCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001139617217 1026481700 /nfs/dbraw/zinc/48/17/00/1026481700.db2.gz LZWXIZYNLITIRT-ISKFKSNPSA-N 1 0 375.516 3.787 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)c1 ZINC001139647176 1026508049 /nfs/dbraw/zinc/50/80/49/1026508049.db2.gz DMIVPDFIXCEMDV-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO C[C@@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164477876 1026522140 /nfs/dbraw/zinc/52/21/40/1026522140.db2.gz STFRTDZZBXGVJG-TZMCWYRMSA-N 1 0 391.853 3.777 20 30 GHEDRO C[C@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164477874 1026522271 /nfs/dbraw/zinc/52/22/71/1026522271.db2.gz STFRTDZZBXGVJG-JSGCOSHPSA-N 1 0 391.853 3.777 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001139688581 1026539511 /nfs/dbraw/zinc/53/95/11/1026539511.db2.gz QAJOCXHHRDIFOA-UHFFFAOYSA-N 1 0 385.895 3.672 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CCC[C@@H](NC(=O)c4ccccc4F)C3)c[nH]c21 ZINC001139707003 1026552252 /nfs/dbraw/zinc/55/22/52/1026552252.db2.gz MZDFLKCCSQYWFE-QGZVFWFLSA-N 1 0 376.435 3.573 20 30 GHEDRO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)c21 ZINC001139723928 1026567051 /nfs/dbraw/zinc/56/70/51/1026567051.db2.gz RXXDIXCHURFYAO-LJQANCHMSA-N 1 0 389.455 3.870 20 30 GHEDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4ccc(C)c(C#N)c4)C3)C2)n1 ZINC001139725315 1026568636 /nfs/dbraw/zinc/56/86/36/1026568636.db2.gz KTOYNZHUNHDNFB-PKTZIBPZSA-N 1 0 377.488 3.520 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N(Cc2cccnc2)C2CCC([NH3+])CC2)c1 ZINC001165197515 1026659784 /nfs/dbraw/zinc/65/97/84/1026659784.db2.gz USHNVGCXDCQOJT-UHFFFAOYSA-N 1 0 391.853 3.823 20 30 GHEDRO CSc1nc(Cl)c(C=NO)c(N(C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001165198679 1026660447 /nfs/dbraw/zinc/66/04/47/1026660447.db2.gz BXBXNOIERYWMGC-UHFFFAOYSA-N 1 0 383.949 3.503 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139869330 1026682970 /nfs/dbraw/zinc/68/29/70/1026682970.db2.gz FRRFXVZYTQGAES-GOSISDBHSA-N 1 0 395.588 3.626 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1 ZINC001139874524 1026690002 /nfs/dbraw/zinc/69/00/02/1026690002.db2.gz BBCFHNYHSIHJSG-QHCPKHFHSA-N 1 0 375.447 3.598 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001139877670 1026694772 /nfs/dbraw/zinc/69/47/72/1026694772.db2.gz RZGVRHMOHXQPLY-VWNXMTODSA-N 1 0 389.474 3.701 20 30 GHEDRO Cc1cccc(N(c2nc3c(cc2C#N)CCCC3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165777322 1026834799 /nfs/dbraw/zinc/83/47/99/1026834799.db2.gz ROQHDKOQBIFIEG-URXFXBBRSA-N 1 0 388.515 3.800 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3[nH]nc4ccc(OC)cc43)CC2)C1 ZINC001140065364 1026846023 /nfs/dbraw/zinc/84/60/23/1026846023.db2.gz FWCAVEJORGZKDF-UHFFFAOYSA-N 1 0 398.507 3.572 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001140071905 1026851992 /nfs/dbraw/zinc/85/19/92/1026851992.db2.gz DIICCSBRYUSKHY-LJQANCHMSA-N 1 0 398.551 3.869 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)ccn3)C2)C1 ZINC001140104355 1026884735 /nfs/dbraw/zinc/88/47/35/1026884735.db2.gz LVHTXUUKAHQYJZ-SFHVURJKSA-N 1 0 383.414 3.711 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(CC(=O)N(c5ccc(F)cc5)C4)C3)c2c1 ZINC001140111633 1026892557 /nfs/dbraw/zinc/89/25/57/1026892557.db2.gz BIGWEMRHQJZIAF-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(Cc4ccc(C#N)cc4F)CC3)C2)cc1 ZINC001140138919 1026912886 /nfs/dbraw/zinc/91/28/86/1026912886.db2.gz WCJXVLIIVYSHDQ-UHFFFAOYSA-N 1 0 393.506 3.873 20 30 GHEDRO Cc1c[nH+]c(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc1C ZINC001166456212 1027005793 /nfs/dbraw/zinc/00/57/93/1027005793.db2.gz UODVNRWZCCSCON-QHCPKHFHSA-N 1 0 376.504 3.694 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1-n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001166701078 1027060953 /nfs/dbraw/zinc/06/09/53/1027060953.db2.gz BVAQJZKTXIUALL-GFCCVEGCSA-N 1 0 385.258 3.503 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)[C@H]2CC ZINC001209759086 1027154121 /nfs/dbraw/zinc/15/41/21/1027154121.db2.gz AJJHVNBIXVJKQO-REWPJTCUSA-N 1 0 378.520 3.998 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1=S ZINC000840134082 1027262129 /nfs/dbraw/zinc/26/21/29/1027262129.db2.gz KDGOHMAQKFMERX-SFHVURJKSA-N 1 0 397.592 3.889 20 30 GHEDRO C#CCC[C@@H](O)C[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC001203536533 1027414361 /nfs/dbraw/zinc/41/43/61/1027414361.db2.gz XUHVDONPMLUCEQ-HXUWFJFHSA-N 1 0 393.462 3.976 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC001203628349 1027488332 /nfs/dbraw/zinc/48/83/32/1027488332.db2.gz NXKAEQZGCHAEGW-QGZVFWFLSA-N 1 0 383.458 3.842 20 30 GHEDRO C[NH+](C)CCOc1cc(Br)ccc1Nc1ccc(O)c(C#N)c1 ZINC001210534292 1027547961 /nfs/dbraw/zinc/54/79/61/1027547961.db2.gz JXIRKXSCBQKXPL-UHFFFAOYSA-N 1 0 376.254 3.710 20 30 GHEDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1C ZINC001203753651 1027576284 /nfs/dbraw/zinc/57/62/84/1027576284.db2.gz FRRGJOFJRLQJKY-XMMPIXPASA-N 1 0 389.499 3.813 20 30 GHEDRO CN1CCN(C(=O)c2ccc(Nc3ccccc3C#N)cc2C(F)(F)F)CC1 ZINC001210742678 1027632521 /nfs/dbraw/zinc/63/25/21/1027632521.db2.gz VGVQYYVCBRXLAE-UHFFFAOYSA-N 1 0 388.393 3.708 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)cc1 ZINC001203901157 1027694855 /nfs/dbraw/zinc/69/48/55/1027694855.db2.gz HEPOEJPLPMCQLX-QHCPKHFHSA-N 1 0 379.479 3.816 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203905588 1027698090 /nfs/dbraw/zinc/69/80/90/1027698090.db2.gz VLYRRJMMSJLVDX-UHFFFAOYSA-N 1 0 387.524 3.796 20 30 GHEDRO CSc1nc(CN2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N ZINC001141938437 1027709311 /nfs/dbraw/zinc/70/93/11/1027709311.db2.gz CGTCVBUCCWHDQZ-UHFFFAOYSA-N 1 0 388.537 3.508 20 30 GHEDRO CSc1nc(C[N@H+](C)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141944082 1027722216 /nfs/dbraw/zinc/72/22/16/1027722216.db2.gz WVMCZMMAMWJSOB-HXUWFJFHSA-N 1 0 390.553 3.897 20 30 GHEDRO CCOc1cccc(/C=N\C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1O ZINC000840711289 1027749358 /nfs/dbraw/zinc/74/93/58/1027749358.db2.gz XWRPCDBFBAMABZ-IWIPYMOSSA-N 1 0 395.503 3.833 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)cc(C(C)C)c1 ZINC001276693374 1027764910 /nfs/dbraw/zinc/76/49/10/1027764910.db2.gz UWLAJAUQNJRPKN-RTBURBONSA-N 1 0 389.337 3.771 20 30 GHEDRO C#C[C@H]1CCC[N@@H+](Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1 ZINC001141970742 1027773833 /nfs/dbraw/zinc/77/38/33/1027773833.db2.gz KDYYKOBRTYLXRR-SFHVURJKSA-N 1 0 378.497 3.724 20 30 GHEDRO CC1(N2CCOCC2)CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141977897 1027792470 /nfs/dbraw/zinc/79/24/70/1027792470.db2.gz RTGCMEYPWSPISQ-UHFFFAOYSA-N 1 0 380.557 3.835 20 30 GHEDRO N#Cc1ccc([C@@H](c2nc(-c3cccc4ccccc43)no2)N2CC[NH2+]CC2)cc1 ZINC001211379513 1027931371 /nfs/dbraw/zinc/93/13/71/1027931371.db2.gz JDIXPEPHICQAGQ-QFIPXVFZSA-N 1 0 395.466 3.756 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000840956580 1027985146 /nfs/dbraw/zinc/98/51/46/1027985146.db2.gz YNXUZCYDUBKSEV-AWEZNQCLSA-N 1 0 392.908 3.714 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)c2ncc(C#N)cc2Cl)c2ccccc2)CC1 ZINC001142068534 1028021717 /nfs/dbraw/zinc/02/17/17/1028021717.db2.gz HUIBKWXSAHZGGX-LJQANCHMSA-N 1 0 382.895 3.810 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC4(C3)CC[NH2+]CC4)c2)cc1 ZINC000841106859 1028144664 /nfs/dbraw/zinc/14/46/64/1028144664.db2.gz LJJCCMAPQUVVGF-UHFFFAOYSA-N 1 0 376.460 3.958 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C2 ZINC001142167638 1028284670 /nfs/dbraw/zinc/28/46/70/1028284670.db2.gz JLHFHXOXCKTJET-RBBKRZOGSA-N 1 0 375.557 3.829 20 30 GHEDRO N#Cc1ccc(-c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)nc1Cl ZINC001213769161 1028371304 /nfs/dbraw/zinc/37/13/04/1028371304.db2.gz WZHLYLCQIMKSPX-YRNVUSSQSA-N 1 0 378.823 3.785 20 30 GHEDRO CCOc1cc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)ccc1OC(F)F ZINC000841493682 1028694800 /nfs/dbraw/zinc/69/48/00/1028694800.db2.gz UJAYUNOVVYDSFB-QGZVFWFLSA-N 1 0 376.403 3.724 20 30 GHEDRO CCOC(=O)c1cnc(N=NC2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)nc1C ZINC000841630663 1028791120 /nfs/dbraw/zinc/79/11/20/1028791120.db2.gz LAAHFBQTUNKBGV-FQEVSTJZSA-N 1 0 393.491 3.729 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccc4nn(C)cc43)CC2)C1 ZINC001142445330 1028932612 /nfs/dbraw/zinc/93/26/12/1028932612.db2.gz VGYBMEHMHKUYST-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(OCc2cccc(C)c2)cc1C ZINC001215209245 1029091491 /nfs/dbraw/zinc/09/14/91/1029091491.db2.gz TTXKSJKJGMITJL-UHFFFAOYSA-N 1 0 379.504 3.959 20 30 GHEDRO CCCCCC[C@H](C)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000842209538 1029149177 /nfs/dbraw/zinc/14/91/77/1029149177.db2.gz ASDIHYOEDWCQAH-FQEVSTJZSA-N 1 0 384.568 3.541 20 30 GHEDRO C#CC[C@@H]1CCCN(Cn2nc([C@@H](CC)[NH+](C)C)n(CCCC)c2=S)C1 ZINC000842627304 1029428772 /nfs/dbraw/zinc/42/87/72/1029428772.db2.gz FVHPVKXWHBDAKP-QZTJIDSGSA-N 1 0 377.602 3.920 20 30 GHEDRO O=C(C#Cc1ccccc1)N1CC2(CC[NH2+]CC2)c2c1cccc2-c1cccnc1 ZINC001142859315 1029595368 /nfs/dbraw/zinc/59/53/68/1029595368.db2.gz WSUUYIMOFUMHAO-UHFFFAOYSA-N 1 0 393.490 3.768 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000842830556 1029616224 /nfs/dbraw/zinc/61/62/24/1029616224.db2.gz NOWAUIAOKPCFEC-GOSISDBHSA-N 1 0 387.499 3.577 20 30 GHEDRO CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001142931624 1029712540 /nfs/dbraw/zinc/71/25/40/1029712540.db2.gz SMTFNUZHNZSQCS-QFIPXVFZSA-N 1 0 388.515 3.762 20 30 GHEDRO Cc1ccc(-c2noc(-c3cccc(NC(=O)[C@@H]4C[C@H](S)C[NH2+]4)c3)n2)c(C)c1 ZINC001216717873 1029903987 /nfs/dbraw/zinc/90/39/87/1029903987.db2.gz CAANOVNXRPIEOM-WMZOPIPTSA-N 1 0 394.500 3.619 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3ccc(C(=O)OC)cc13)C2 ZINC001143232805 1029930998 /nfs/dbraw/zinc/93/09/98/1029930998.db2.gz LQCKOKYOYFQKAB-GMAHTHKFSA-N 1 0 398.503 3.528 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001222127609 1029973186 /nfs/dbraw/zinc/97/31/86/1029973186.db2.gz TXYNDSONGGUXMO-JOCHJYFZSA-N 1 0 376.504 3.750 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001222127614 1029973243 /nfs/dbraw/zinc/97/32/43/1029973243.db2.gz TXYNDSONGGUXMO-QFIPXVFZSA-N 1 0 376.504 3.750 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC001222281810 1030045946 /nfs/dbraw/zinc/04/59/46/1030045946.db2.gz LGVBFMIWWXWZOP-UHFFFAOYSA-N 1 0 388.581 3.555 20 30 GHEDRO COc1cc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)ccc1C(F)(F)F ZINC001143349770 1030060667 /nfs/dbraw/zinc/06/06/67/1030060667.db2.gz RRJALVAVZWFXIR-UHFFFAOYSA-N 1 0 390.409 3.693 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001149205741 1030091361 /nfs/dbraw/zinc/09/13/61/1030091361.db2.gz NEBYOEBBTUFMLO-IRXDYDNUSA-N 1 0 382.426 3.873 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)n2)c(F)c1 ZINC001217105014 1030169665 /nfs/dbraw/zinc/16/96/65/1030169665.db2.gz BWWZRYRXOINQIC-QGZVFWFLSA-N 1 0 395.434 3.674 20 30 GHEDRO N#Cc1cccc(CN2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222577442 1030207566 /nfs/dbraw/zinc/20/75/66/1030207566.db2.gz ZRNFOACEENNMBE-QHCPKHFHSA-N 1 0 375.516 3.862 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601937 1030227099 /nfs/dbraw/zinc/22/70/99/1030227099.db2.gz DPIPDVIARRFMAC-IBGZPJMESA-N 1 0 382.305 3.510 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)OCc1nc(-c2ccccc2-c2ccccc2)no1 ZINC001222804958 1030314698 /nfs/dbraw/zinc/31/46/98/1030314698.db2.gz WVUAAJMBKDIKLN-GOSISDBHSA-N 1 0 377.468 3.909 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000320718714 1030400745 /nfs/dbraw/zinc/40/07/45/1030400745.db2.gz KPSWREWUZPLHJN-UHFFFAOYSA-N 1 0 380.326 3.882 20 30 GHEDRO CCOc1ccc(-c2nnc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)o2)cc1OCC ZINC001217712013 1030622608 /nfs/dbraw/zinc/62/26/08/1030622608.db2.gz XHCXTDYKAOSGJQ-SFHVURJKSA-N 1 0 392.459 3.518 20 30 GHEDRO O=C1C[C@H]2C[C@H](O/C(=N\O)c3ccc(Cl)cc3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001223592787 1030650896 /nfs/dbraw/zinc/65/08/96/1030650896.db2.gz FHBRPRZCYPXKRW-SFFUKEJLSA-N 1 0 384.863 3.867 20 30 GHEDRO COc1cc(O)cc(O[C@@H](C)C2CC[NH2+]CC2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218004292 1030716654 /nfs/dbraw/zinc/71/66/54/1030716654.db2.gz CFQGWIUXTOTWLJ-PXTSUWAFSA-N 1 0 397.471 3.769 20 30 GHEDRO COc1cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218022720 1030728182 /nfs/dbraw/zinc/72/81/82/1030728182.db2.gz HHHZLAHBNQPCOY-OKANSMROSA-N 1 0 385.435 3.766 20 30 GHEDRO Cc1cc(O[C@@H]2C[NH2+]CC[C@H]2C)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218043281 1030738905 /nfs/dbraw/zinc/73/89/05/1030738905.db2.gz IYJRKANZLZTTAT-WQFWJMJDSA-N 1 0 381.472 3.988 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(OC3CC4(C3)CC[NH2+]C4)cc2)cc1 ZINC001218063228 1030751131 /nfs/dbraw/zinc/75/11/31/1030751131.db2.gz IZVBMZBCFKRMDB-UHFFFAOYSA-N 1 0 399.512 3.605 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(O[C@H]3CCC[C@@]34CC[NH2+]C4)cccc1C2=O ZINC001218097486 1030769921 /nfs/dbraw/zinc/76/99/21/1030769921.db2.gz VBOKRSGYIJWKBH-SBUREZEXSA-N 1 0 381.472 3.820 20 30 GHEDRO COc1cc(O[C@H]2CSC3(C[NH2+]C3)C2)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218100895 1030772308 /nfs/dbraw/zinc/77/23/08/1030772308.db2.gz YXMDUNCHEOEZEH-NTPDMAOXSA-N 1 0 397.496 3.523 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218189094 1030813037 /nfs/dbraw/zinc/81/30/37/1030813037.db2.gz SFGYSBBEGDVHJU-IZZQQSIFSA-N 1 0 387.483 3.776 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1c(Br)ccc(OCc2ccccc2)c1F ZINC001218199294 1030823962 /nfs/dbraw/zinc/82/39/62/1030823962.db2.gz DAWIRWMDOVVCKV-BBRMVZONSA-N 1 0 391.240 3.658 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1ccc2c(c1)[C@@H]1CCC[C@@H]1[C@H](c1ccc(O)cc1)O2 ZINC001218203683 1030826892 /nfs/dbraw/zinc/82/68/92/1030826892.db2.gz RWGVCLQECJTKJF-RPGFCOGLSA-N 1 0 376.456 3.900 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC001223979926 1030837298 /nfs/dbraw/zinc/83/72/98/1030837298.db2.gz DKYPGXGIFIRGKR-SFHLNBCPSA-N 1 0 383.536 3.713 20 30 GHEDRO N#C[C@@H](Oc1ccnc2c3c(nn21)CC[NH2+]C3)c1cccc(Oc2ccccc2)c1 ZINC001218300351 1030879099 /nfs/dbraw/zinc/87/90/99/1030879099.db2.gz OKJWGGYAPHUEFR-OAQYLSRUSA-N 1 0 397.438 3.811 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001224168297 1030908668 /nfs/dbraw/zinc/90/86/68/1030908668.db2.gz JKGJNFAFEXEVSM-VGSWGCGISA-N 1 0 378.472 3.772 20 30 GHEDRO C[C@H]1CC[C@@H](Oc2nnc(Cc3ccc(F)c(C#N)c3)c3ccccc32)C[NH2+]1 ZINC001218397907 1030919736 /nfs/dbraw/zinc/91/97/36/1030919736.db2.gz HTTUUINJUNMTRS-WMLDXEAASA-N 1 0 376.435 3.751 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001218407307 1030925324 /nfs/dbraw/zinc/92/53/24/1030925324.db2.gz OYMYHKXTLHTVGG-WQPRDMOWSA-N 1 0 397.471 3.825 20 30 GHEDRO COc1cc2[nH]c(NCc3cc(C#N)ccc3Br)[nH+]c2cc1OC ZINC001461724015 1069703885 /nfs/dbraw/zinc/70/38/85/1069703885.db2.gz IULSSSWZUGOBOD-UHFFFAOYSA-N 1 0 387.237 3.826 20 30 GHEDRO Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H](Cc4ccccc4C#N)C[NH2+]3)sc2c1 ZINC001218526362 1030973199 /nfs/dbraw/zinc/97/31/99/1030973199.db2.gz JEEBMBKWJVGIKN-KDOFPFPSSA-N 1 0 376.485 3.636 20 30 GHEDRO CCCCC[C@H]([NH2+]C)C(=O)Nc1sc2c(c1C#N)[C@H](C(=O)OCC)CCC2 ZINC001218561620 1030986806 /nfs/dbraw/zinc/98/68/06/1030986806.db2.gz SPXKXZUINFSKLN-HIFRSBDPSA-N 1 0 391.537 3.710 20 30 GHEDRO N#Cc1cccc2[nH]nc(NC(=O)[C@@H]([NH3+])Cc3ccc(-c4ccccc4)cc3)c21 ZINC001218656772 1031021618 /nfs/dbraw/zinc/02/16/18/1031021618.db2.gz MXNJDYGBRIMZKI-IBGZPJMESA-N 1 0 381.439 3.610 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cnc2c(cccc2C(F)(F)F)c1 ZINC001218706551 1031041406 /nfs/dbraw/zinc/04/14/06/1031041406.db2.gz HZEPNASICBEUHR-KRWDZBQOSA-N 1 0 384.361 3.634 20 30 GHEDRO CC(C)(CCC#N)c1ccc(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1 ZINC001218731612 1031056516 /nfs/dbraw/zinc/05/65/16/1031056516.db2.gz QZGPUZPEDRRWFQ-LJQANCHMSA-N 1 0 378.476 3.656 20 30 GHEDRO CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](S)C[NH2+]2)c1 ZINC001218813451 1031089432 /nfs/dbraw/zinc/08/94/32/1031089432.db2.gz GHGQJMYSXVXKAQ-LPHOPBHVSA-N 1 0 383.517 3.661 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](CCO[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001224819065 1031135047 /nfs/dbraw/zinc/13/50/47/1031135047.db2.gz GGTPEJJXTNIVRP-NQIIRXRSSA-N 1 0 399.535 3.796 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccnc(Br)c1C)C(C)C ZINC001218909786 1031147783 /nfs/dbraw/zinc/14/77/83/1031147783.db2.gz XWLIFNMUHXYNNI-MRXNPFEDSA-N 1 0 395.345 3.973 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]2CC[NH2+]C[C@H]2c2ccccc2)ccc1N1CCCCC1 ZINC001218944817 1031168368 /nfs/dbraw/zinc/16/83/68/1031168368.db2.gz QOSUCNOSKMMXFO-VXKWHMMOSA-N 1 0 388.515 3.880 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC001219003864 1031206045 /nfs/dbraw/zinc/20/60/45/1031206045.db2.gz XFUJGAHURNCVQN-MWTRTKDXSA-N 1 0 381.479 3.969 20 30 GHEDRO N#Cc1c[nH]c2cc(NC(=O)C[C@H]([NH3+])Cc3cccc(C(F)(F)F)c3)ccc12 ZINC001219044633 1031227740 /nfs/dbraw/zinc/22/77/40/1031227740.db2.gz FIXLLUPDXBLIFT-OAHLLOKOSA-N 1 0 386.377 3.957 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC001225093028 1031256068 /nfs/dbraw/zinc/25/60/68/1031256068.db2.gz FAVAJVWXDHDWHP-SPEDKVCISA-N 1 0 376.504 3.687 20 30 GHEDRO CCc1cc(NC(=O)[C@@H](c2ccsc2)N2CCC[C@H]([NH3+])C2)cc(CC)c1C#N ZINC001219112365 1031257782 /nfs/dbraw/zinc/25/77/82/1031257782.db2.gz FDWMNCOXLOWSJI-GHTZIAJQSA-N 1 0 396.560 3.847 20 30 GHEDRO COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219310604 1031351562 /nfs/dbraw/zinc/35/15/62/1031351562.db2.gz KIXBCNLZSZCRQX-OAQYLSRUSA-N 1 0 378.548 3.750 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H]([NH3+])Cc2ccc3ccccc3n2)c1 ZINC001219310569 1031351591 /nfs/dbraw/zinc/35/15/91/1031351591.db2.gz JDEUMOAPDDZSFX-NRFANRHFSA-N 1 0 387.559 3.972 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cccc(-c2nc(C(=O)OCC)co2)c1 ZINC001219419264 1031411395 /nfs/dbraw/zinc/41/13/95/1031411395.db2.gz GDWNBRFMAKHXPS-KRWDZBQOSA-N 1 0 385.464 3.921 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1cc(-c2cccs2)ccc1N ZINC001219431409 1031415133 /nfs/dbraw/zinc/41/51/33/1031415133.db2.gz BONZBTAGAKNMNH-KRWDZBQOSA-N 1 0 376.485 3.768 20 30 GHEDRO Cc1cc(Cl)cc(O[C@H](CC#N)C[N+](C)(C)C)c1I ZINC001225456186 1031424864 /nfs/dbraw/zinc/42/48/64/1031424864.db2.gz PDVBZFYNYUDBRK-GFCCVEGCSA-N 1 0 393.676 3.620 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001225513527 1031449487 /nfs/dbraw/zinc/44/94/87/1031449487.db2.gz UULVHEOUJGTWNX-FGZHOGPDSA-N 1 0 379.479 3.945 20 30 GHEDRO C=C[C@@H](CC)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC001225824366 1031632980 /nfs/dbraw/zinc/63/29/80/1031632980.db2.gz JXQRFTABGIKHTD-ZBLHWPFVSA-N 1 0 397.515 3.656 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCc2c(OC(C)C)ccc3ccccc32)CC1 ZINC001225915887 1031691811 /nfs/dbraw/zinc/69/18/11/1031691811.db2.gz NXKSDCHDPUVEJX-UHFFFAOYSA-N 1 0 379.504 3.524 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)cc21 ZINC001220201940 1031832716 /nfs/dbraw/zinc/83/27/16/1031832716.db2.gz GUWXWHMRYHQTPE-FQEVSTJZSA-N 1 0 381.455 3.786 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001226306442 1031909335 /nfs/dbraw/zinc/90/93/35/1031909335.db2.gz YOMSAGBRMZHLNT-ACDBMABISA-N 1 0 376.456 3.919 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001205201998 1033299851 /nfs/dbraw/zinc/29/98/51/1033299851.db2.gz UBBOGMBAJSGKHP-UHFFFAOYSA-N 1 0 377.488 3.543 20 30 GHEDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001229211407 1033346624 /nfs/dbraw/zinc/34/66/24/1033346624.db2.gz ADOKLZFOBMISMZ-CJSBAKHUSA-N 1 0 395.455 3.966 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC001229292879 1033396136 /nfs/dbraw/zinc/39/61/36/1033396136.db2.gz YHEQAMFPXMNHDS-SFHVURJKSA-N 1 0 375.925 3.745 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1 ZINC001229292466 1033396204 /nfs/dbraw/zinc/39/62/04/1033396204.db2.gz UIOQWSBBKNHTGA-OAQYLSRUSA-N 1 0 377.532 3.785 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](Oc2cccc(C[NH+]3CCCCC3)c2)[C@H](C#N)C1 ZINC001229448622 1033487437 /nfs/dbraw/zinc/48/74/37/1033487437.db2.gz MSCWTQQGOVIHEH-QUCCMNQESA-N 1 0 385.508 3.810 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157434390 1033585614 /nfs/dbraw/zinc/58/56/14/1033585614.db2.gz KVTRLAUKSLJKBC-MRXNPFEDSA-N 1 0 376.838 3.910 20 30 GHEDRO C=CCOc1ccccc1O[C@@H]1C=C(C(=O)OC)C[N@@H+](Cc2ccccc2)C1 ZINC001229612135 1033590332 /nfs/dbraw/zinc/59/03/32/1033590332.db2.gz VGSXGZMGJXMHGF-HXUWFJFHSA-N 1 0 379.456 3.614 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(CC3(c4cccc(F)c4)CC[NH2+]CC3)n2)c1 ZINC001206087061 1033713895 /nfs/dbraw/zinc/71/38/95/1033713895.db2.gz WEMNQIYCJRIVLB-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC001206144194 1033740835 /nfs/dbraw/zinc/74/08/35/1033740835.db2.gz DOFKRMUSYDIJRW-AWEZNQCLSA-N 1 0 391.928 3.946 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[N@H+]1CC ZINC001206194026 1033759968 /nfs/dbraw/zinc/75/99/68/1033759968.db2.gz CJLVZQJCVABVOD-CQSZACIVSA-N 1 0 382.302 3.620 20 30 GHEDRO CCOC(=O)c1sc(-c2cccc(O[C@H](CC#N)C[N+](C)(C)C)c2)nc1C ZINC001229963209 1033820119 /nfs/dbraw/zinc/82/01/19/1033820119.db2.gz GYVIPVRQLIWEIN-QGZVFWFLSA-N 1 0 388.513 3.663 20 30 GHEDRO C#C[C@H](C)Oc1c(OC)cc2c3c1-c1c(O)c(OC)ccc1C[C@@H]3[N+](C)(C)CC2 ZINC001230163168 1033925442 /nfs/dbraw/zinc/92/54/42/1033925442.db2.gz MNDHVCPEISZJLU-YOEHRIQHSA-O 1 0 394.491 3.707 20 30 GHEDRO C#Cc1ccc(C(=O)N2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001158150801 1033937648 /nfs/dbraw/zinc/93/76/48/1033937648.db2.gz IOXUDAQCDLNYHF-HSZRJFAPSA-N 1 0 388.511 3.612 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755834 1033970256 /nfs/dbraw/zinc/97/02/56/1033970256.db2.gz RUZYGCNCQKGJAH-UHFFFAOYSA-N 1 0 384.321 3.813 20 30 GHEDRO COC(=O)c1cc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884263 1069833481 /nfs/dbraw/zinc/83/34/81/1069833481.db2.gz RXKRYDZVPFLUMO-RTWAWAEBSA-N 1 0 377.488 3.883 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@H](C)C[NH+](C)C)cc1 ZINC001230436866 1034055079 /nfs/dbraw/zinc/05/50/79/1034055079.db2.gz WMUICOWEQDUOOZ-ONOODXEBSA-N 1 0 399.487 3.937 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(F)ccc(C)c3Br)C2)C1=O ZINC001277455883 1034063603 /nfs/dbraw/zinc/06/36/03/1034063603.db2.gz NCGSLHHYABZXOE-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC001207067805 1034079441 /nfs/dbraw/zinc/07/94/41/1034079441.db2.gz ZCHSBJJPLDMHBX-UHFFFAOYSA-N 1 0 377.536 3.799 20 30 GHEDRO Cn1cc(C[N@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1C#N ZINC001207110099 1034097402 /nfs/dbraw/zinc/09/74/02/1034097402.db2.gz CUKADJMKUFVPDY-XMMPIXPASA-N 1 0 398.510 3.700 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001158485505 1034105502 /nfs/dbraw/zinc/10/55/02/1034105502.db2.gz NCLRYJFOWYMJAC-UHFFFAOYSA-N 1 0 395.869 3.803 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(Oc3ccccc3C#N)CC2)C1 ZINC001207216901 1034184055 /nfs/dbraw/zinc/18/40/55/1034184055.db2.gz VCMGLOCWUHNXIU-KRWDZBQOSA-N 1 0 385.508 3.658 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cccc(-c3cccc(C(N)=O)c3)c2)C1 ZINC001230839928 1034246263 /nfs/dbraw/zinc/24/62/63/1034246263.db2.gz KCMMEXZMEMAKQI-DEOSSOPVSA-N 1 0 397.478 3.977 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001207376748 1034321026 /nfs/dbraw/zinc/32/10/26/1034321026.db2.gz ZVCRBHMIMQTTHN-MOPGFXCFSA-N 1 0 385.508 3.801 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001231029475 1034349799 /nfs/dbraw/zinc/34/97/99/1034349799.db2.gz BYPFOLUPMGLVRT-VGOFRKELSA-N 1 0 378.472 3.563 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@H](Oc2n[nH]c3cccc(Br)c32)C1 ZINC001231094054 1034393878 /nfs/dbraw/zinc/39/38/78/1034393878.db2.gz UQTGPHCNLYAVGI-HNNXBMFYSA-N 1 0 397.276 3.850 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3nccc(Cl)c3C#N)nc3ccc(C)cc3n12 ZINC001159131094 1034440970 /nfs/dbraw/zinc/44/09/70/1034440970.db2.gz LHDXOHBRMMSEQW-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001231263685 1034490629 /nfs/dbraw/zinc/49/06/29/1034490629.db2.gz SBDMGGDVXZDDFL-NNWRFLSQSA-N 1 0 380.536 3.875 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCN(Cc3cnc(Cl)c(C(F)(F)F)c3)C2)C1=O ZINC001277522211 1034609987 /nfs/dbraw/zinc/60/99/87/1034609987.db2.gz FUKHVKZQEQCPCW-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO N#Cc1cc(Nc2cccc(C(=O)NCCc3ccccc3)c2)cc(C2C[NH2+]C2)c1 ZINC001159515763 1034631497 /nfs/dbraw/zinc/63/14/97/1034631497.db2.gz BTNPTFLSLDWKGK-UHFFFAOYSA-N 1 0 396.494 3.961 20 30 GHEDRO C=CCCCCCCCCC[N@@H+]1CCCn2c(CN(C)C(C)=O)nnc2C1 ZINC001207899217 1034644669 /nfs/dbraw/zinc/64/46/69/1034644669.db2.gz QBMRFGKNWUJPFY-UHFFFAOYSA-N 1 0 375.561 3.769 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OCCCOC)cc1)C2 ZINC001231505837 1034650341 /nfs/dbraw/zinc/65/03/41/1034650341.db2.gz RAMCMIOMHQNLRY-DHIUTWEWSA-N 1 0 389.536 3.676 20 30 GHEDRO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3ccccc3C#Cc3ccccc3)C[C@H]2C1 ZINC001231576707 1034727070 /nfs/dbraw/zinc/72/70/70/1034727070.db2.gz GVZBQTDQTSPFHL-ZEQRLZLVSA-N 1 0 396.490 3.883 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3nc4c(s3)CCCC4)C2)C1 ZINC001231579802 1034729298 /nfs/dbraw/zinc/72/92/98/1034729298.db2.gz BXEPZYCFJHCPRR-HXUWFJFHSA-N 1 0 375.538 3.632 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCc1c(F)cccc1F)CC2 ZINC001208115397 1034741530 /nfs/dbraw/zinc/74/15/30/1034741530.db2.gz PEKHBRYHZUGHDL-UHFFFAOYSA-N 1 0 387.474 3.875 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001231618935 1034776267 /nfs/dbraw/zinc/77/62/67/1034776267.db2.gz DZIGIYFMYYDBKR-VSOVRNOCSA-N 1 0 393.462 3.803 20 30 GHEDRO C=CCOc1cccc(CN2Cc3c(cnn3CC3CC3)[C@H](COCC)C2)c1 ZINC001231621735 1034778965 /nfs/dbraw/zinc/77/89/65/1034778965.db2.gz HZEYLLZDPUFCGP-FQEVSTJZSA-N 1 0 381.520 3.994 20 30 GHEDRO COc1ccc(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)c(C#N)c1 ZINC001159965050 1034805855 /nfs/dbraw/zinc/80/58/55/1034805855.db2.gz MOXOXRTZIVAVAU-UHFFFAOYSA-N 1 0 390.409 3.734 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC001231656996 1034814566 /nfs/dbraw/zinc/81/45/66/1034814566.db2.gz LEAQTELHTAIGMO-ZEQRLZLVSA-N 1 0 376.500 3.651 20 30 GHEDRO CCOC(=O)c1cnc(Cl)cc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160100352 1034859240 /nfs/dbraw/zinc/85/92/40/1034859240.db2.gz YOBXPNSVKSWDFM-UHFFFAOYSA-N 1 0 398.894 3.882 20 30 GHEDRO N#CC1(Nc2nnc(Cl)c3ccncc32)CC[NH+](Cc2ccccc2)CC1 ZINC001160100224 1034859491 /nfs/dbraw/zinc/85/94/91/1034859491.db2.gz VUMRCNDOKQBCJM-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC001160102109 1034860397 /nfs/dbraw/zinc/86/03/97/1034860397.db2.gz CLRQOBDOOMPPBH-UHFFFAOYSA-N 1 0 391.353 3.722 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001160104226 1034861373 /nfs/dbraw/zinc/86/13/73/1034861373.db2.gz QLYOKXBTRUGNST-UHFFFAOYSA-N 1 0 380.454 3.979 20 30 GHEDRO COc1ccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001208406019 1034885389 /nfs/dbraw/zinc/88/53/89/1034885389.db2.gz RZNUYLUQQBPZOO-IAGOWNOFSA-N 1 0 378.476 3.694 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(F)cc1F ZINC001208476096 1034908884 /nfs/dbraw/zinc/90/88/84/1034908884.db2.gz JKCBWISHIWXBHW-UHFFFAOYSA-N 1 0 376.451 3.956 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)cc1 ZINC001231817938 1034927055 /nfs/dbraw/zinc/92/70/55/1034927055.db2.gz PAVYJMDEJJUKSZ-UHFFFAOYSA-N 1 0 385.899 3.523 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)cc1 ZINC001231818805 1034927301 /nfs/dbraw/zinc/92/73/01/1034927301.db2.gz FTZQPUZZTXJTGS-DHIUTWEWSA-N 1 0 388.515 3.806 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)cc1 ZINC001231820358 1034928459 /nfs/dbraw/zinc/92/84/59/1034928459.db2.gz YTLIVFXPNKSZKK-OYRHEFFESA-N 1 0 378.520 3.583 20 30 GHEDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(N(C)CCC#N)cc1 ZINC001231821202 1034929262 /nfs/dbraw/zinc/92/92/62/1034929262.db2.gz TYCWMVFCHDISQQ-NRFANRHFSA-N 1 0 389.540 3.607 20 30 GHEDRO C=CCOCc1ncn2c1CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CCC2 ZINC001208585732 1034942797 /nfs/dbraw/zinc/94/27/97/1034942797.db2.gz OLRACQFAUCSNMI-QFIPXVFZSA-N 1 0 394.563 3.846 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)N(CC#N)Cc2ccccc2)cc1 ZINC001160667027 1035029939 /nfs/dbraw/zinc/02/99/39/1035029939.db2.gz CWVFCMBEUSHYDC-FQEVSTJZSA-N 1 0 379.504 3.676 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1 ZINC001160748681 1035054814 /nfs/dbraw/zinc/05/48/14/1035054814.db2.gz ZNQAQKPOBRDDRS-STQMWFEESA-N 1 0 397.788 3.746 20 30 GHEDRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208849560 1035057284 /nfs/dbraw/zinc/05/72/84/1035057284.db2.gz IDQDWMOPYWEGMA-HSZRJFAPSA-N 1 0 387.527 3.971 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)c1 ZINC001208852429 1035059312 /nfs/dbraw/zinc/05/93/12/1035059312.db2.gz JXARJSQCPDIUMC-JOCHJYFZSA-N 1 0 379.548 3.899 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+](CCCc3cccc(C#N)c3)CC2)cc1 ZINC001208854416 1035060436 /nfs/dbraw/zinc/06/04/36/1035060436.db2.gz OCKYJFAHJPYTOE-UHFFFAOYSA-N 1 0 392.503 3.786 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)cc1 ZINC001208861480 1035064736 /nfs/dbraw/zinc/06/47/36/1035064736.db2.gz LGRFOADUAIPEFJ-UHFFFAOYSA-N 1 0 388.515 3.543 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)cc1 ZINC001208862530 1035064815 /nfs/dbraw/zinc/06/48/15/1035064815.db2.gz ZJVXQHRCNOMSEE-UHFFFAOYSA-N 1 0 390.487 3.903 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](CCCc2ccc(C#N)cc2)C2COC2)CC1 ZINC001208862948 1035066118 /nfs/dbraw/zinc/06/61/18/1035066118.db2.gz UOGFZWBTBDPNGX-UHFFFAOYSA-N 1 0 399.535 3.591 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)cc1 ZINC001208922332 1035089687 /nfs/dbraw/zinc/08/96/87/1035089687.db2.gz DXPCVOGBPDORRZ-BJKOFHAPSA-N 1 0 391.515 3.584 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)cc1 ZINC001208923778 1035091192 /nfs/dbraw/zinc/09/11/92/1035091192.db2.gz TVASXWLOCVMWJI-BJKOFHAPSA-N 1 0 391.515 3.584 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1Cl ZINC001232111745 1035101579 /nfs/dbraw/zinc/10/15/79/1035101579.db2.gz HHVBBOVNXRKOBF-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208937989 1035105119 /nfs/dbraw/zinc/10/51/19/1035105119.db2.gz YWHINDIHAOISOR-DSNGMDLFSA-N 1 0 398.591 3.972 20 30 GHEDRO C[C@@]1(CC(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CC[NH2+]C1 ZINC001160994127 1035114516 /nfs/dbraw/zinc/11/45/16/1035114516.db2.gz MYKCXWPYQCIEOB-VWNXMTODSA-N 1 0 387.527 3.734 20 30 GHEDRO COc1ncc(NC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cc1C#N ZINC001209050239 1035157579 /nfs/dbraw/zinc/15/75/79/1035157579.db2.gz BYEZJZQWLJIDHT-QFBILLFUSA-N 1 0 395.507 3.849 20 30 GHEDRO N#Cc1ccc(C(F)(F)NCC2CC[NH+](Cc3ccccn3)CC2)nc1Cl ZINC001161240961 1035188857 /nfs/dbraw/zinc/18/88/57/1035188857.db2.gz LTORLRMDBGFRPY-UHFFFAOYSA-N 1 0 391.853 3.553 20 30 GHEDRO CC(C)(C)CN(C(=O)[C@H]1CCCCN1Cc1ccccc1C#N)C1CC[NH2+]CC1 ZINC001161261609 1035196221 /nfs/dbraw/zinc/19/62/21/1035196221.db2.gz HASFUIIEMZHTRL-JOCHJYFZSA-N 1 0 396.579 3.539 20 30 GHEDRO Cc1ncc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)n1 ZINC001161455628 1035234299 /nfs/dbraw/zinc/23/42/99/1035234299.db2.gz CRRARIPQFYKZHE-DHIUTWEWSA-N 1 0 383.499 3.549 20 30 GHEDRO COc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ncc1C#N ZINC001161457510 1035234836 /nfs/dbraw/zinc/23/48/36/1035234836.db2.gz OZAFYIOIUFOBDO-VXKWHMMOSA-N 1 0 399.498 3.827 20 30 GHEDRO N#CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C(F)(F)F ZINC001209329129 1035243159 /nfs/dbraw/zinc/24/31/59/1035243159.db2.gz HIJXNYMQOCLJNB-KRWDZBQOSA-N 1 0 382.430 3.706 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)c2)CC1 ZINC001209328312 1035243180 /nfs/dbraw/zinc/24/31/80/1035243180.db2.gz BDOFFUQMGXHGSD-QGZVFWFLSA-N 1 0 382.430 3.562 20 30 GHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530257 1035251412 /nfs/dbraw/zinc/25/14/12/1035251412.db2.gz SZRGIMUSGNBBOM-DYVFJYSZSA-N 1 0 398.532 3.587 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCCNC(=O)OC(C)(C)C)[C@@H]2CC ZINC001209364188 1035255097 /nfs/dbraw/zinc/25/50/97/1035255097.db2.gz UQJLQHDUBSPYIG-GCJKJVERSA-N 1 0 393.572 3.713 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 ZINC001209423532 1035271998 /nfs/dbraw/zinc/27/19/98/1035271998.db2.gz WMZDAQHISOZUJI-UHFFFAOYSA-N 1 0 392.565 3.528 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2C[C@@H](C(=O)NCc3cccs3)O[C@@H]2C1 ZINC001209435033 1035273865 /nfs/dbraw/zinc/27/38/65/1035273865.db2.gz DDELFCSWZBEEST-YSIASYRMSA-N 1 0 376.566 3.980 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccccc1CC#N)[NH2+][C@H](C)c1ccccc1 ZINC001209558240 1035312626 /nfs/dbraw/zinc/31/26/26/1035312626.db2.gz UILUSSLYCILIEE-NQIIRXRSSA-N 1 0 399.560 3.796 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N(CC[NH3+])c1ccc(F)cc1 ZINC001161877442 1035319695 /nfs/dbraw/zinc/31/96/95/1035319695.db2.gz JWYUBVDWRTXEOZ-UHFFFAOYSA-N 1 0 375.181 3.914 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(C(=O)N4CCCC4)cc3)C2)c1 ZINC001209677226 1035353126 /nfs/dbraw/zinc/35/31/26/1035353126.db2.gz KFRDXHQAVDHKCV-QHCPKHFHSA-N 1 0 389.499 3.838 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(C(F)(F)F)cc3F)no2)c1 ZINC001248154121 1035580326 /nfs/dbraw/zinc/58/03/26/1035580326.db2.gz AROPIRAOXRTZTL-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO Cc1ccc(Br)cc1-c1noc(C[C@H]([NH3+])Cc2ccc(C#N)cc2)n1 ZINC001248157045 1035584151 /nfs/dbraw/zinc/58/41/51/1035584151.db2.gz SLGOPUSTIKGPHF-MRXNPFEDSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@H]4CCCN([C@@H]5CC[NH2+]C5)C4)n3)cc2)cc1 ZINC001248312864 1035747386 /nfs/dbraw/zinc/74/73/86/1035747386.db2.gz CLELBLDGXSRGBJ-FGZHOGPDSA-N 1 0 399.498 3.817 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001248407454 1035823948 /nfs/dbraw/zinc/82/39/48/1035823948.db2.gz RJXAYQCFSPDOKK-UKBVAGSOSA-N 1 0 397.563 3.629 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2ncc(F)c(Oc3ccc(C#N)cc3)n2)cc1 ZINC001242149696 1035833940 /nfs/dbraw/zinc/83/39/40/1035833940.db2.gz WGSQTAKCLFXOAN-UHFFFAOYSA-N 1 0 378.407 3.887 20 30 GHEDRO Cc1sc2ncnc([N-][NH+]=Cc3ccc(N4CCN(C)CC4)c(F)c3)c2c1C ZINC001248747666 1036104552 /nfs/dbraw/zinc/10/45/52/1036104552.db2.gz XOAUHYGZJZLVGK-UHFFFAOYSA-N 1 0 398.511 3.645 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC001248750454 1036108237 /nfs/dbraw/zinc/10/82/37/1036108237.db2.gz KIWRZVOOXOSRFB-JOCHJYFZSA-N 1 0 394.544 3.510 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001248751486 1036109997 /nfs/dbraw/zinc/10/99/97/1036109997.db2.gz YAGLVAPAOMAFLC-DEOSSOPVSA-N 1 0 384.483 3.621 20 30 GHEDRO N#CC1(c2ccccc2-c2cc(F)c(N3CCOCC3)c(F)c2)CC[NH2+]CC1 ZINC001243841364 1036298209 /nfs/dbraw/zinc/29/82/09/1036298209.db2.gz BZRLWRMYMFTBJJ-UHFFFAOYSA-N 1 0 383.442 3.613 20 30 GHEDRO N#Cc1cc(C2=CC[C@@H](OC(=O)c3ccccc3)CC2)ccc1N1CC[NH2+]CC1 ZINC001244805150 1036654729 /nfs/dbraw/zinc/65/47/29/1036654729.db2.gz MLCYATQMNYMKAA-JOCHJYFZSA-N 1 0 387.483 3.761 20 30 GHEDRO N#Cc1cc(C2=CC[C@H](OC(=O)c3ccccc3)CC2)ccc1N1CC[NH2+]CC1 ZINC001244805153 1036655102 /nfs/dbraw/zinc/65/51/02/1036655102.db2.gz MLCYATQMNYMKAA-QFIPXVFZSA-N 1 0 387.483 3.761 20 30 GHEDRO N#C[C@@H](c1ccc(C2=CC[C@H]([NH+]3CCOCC3)CC2)nn1)c1ccccc1F ZINC001245418031 1036915758 /nfs/dbraw/zinc/91/57/58/1036915758.db2.gz IJBRAPSGUINYLK-PKOBYXMFSA-N 1 0 378.451 3.539 20 30 GHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245524771 1036944158 /nfs/dbraw/zinc/94/41/58/1036944158.db2.gz SZWZMANQUYJPAS-GOSISDBHSA-N 1 0 386.455 3.544 20 30 GHEDRO N#CC1(c2cccnc2-c2ccc3nncn3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001245660915 1036966853 /nfs/dbraw/zinc/96/68/53/1036966853.db2.gz TWCVTZARTMNXDB-UHFFFAOYSA-N 1 0 394.482 3.849 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC001245954634 1037078962 /nfs/dbraw/zinc/07/89/62/1037078962.db2.gz PVMXOINEPYEQAG-UHFFFAOYSA-N 1 0 382.508 3.896 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246033901 1037149321 /nfs/dbraw/zinc/14/93/21/1037149321.db2.gz OGEVBCJJLTZPEW-DNVJHFABSA-N 1 0 398.632 3.595 20 30 GHEDRO ON=C(N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001246160250 1037217985 /nfs/dbraw/zinc/21/79/85/1037217985.db2.gz DNGLLBBZFPLXJE-IAGOWNOFSA-N 1 0 393.409 3.674 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246275167 1037270869 /nfs/dbraw/zinc/27/08/69/1037270869.db2.gz YAOJXWBFQBWLBU-SXSPYAJSSA-N 1 0 391.515 3.538 20 30 GHEDRO CCOC(=O)[C@@H]1C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)CCN1 ZINC001246891781 1037706930 /nfs/dbraw/zinc/70/69/30/1037706930.db2.gz PJPQBUKYHLYTRU-YSZBQJHXSA-N 1 0 391.515 3.805 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(Cl)c(O)cc3O)C2)CC1 ZINC001232261358 1037983379 /nfs/dbraw/zinc/98/33/79/1037983379.db2.gz ZUJCRRINJHLFJC-UHFFFAOYSA-N 1 0 394.899 3.752 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001232456275 1038242551 /nfs/dbraw/zinc/24/25/51/1038242551.db2.gz CPYULOFBVHBOAW-PXNSSMCTSA-N 1 0 375.900 3.790 20 30 GHEDRO COc1ccc([C@@H](C[N@H+](C)Cc2cc(C#N)ccn2)C2(O)CCCCC2)cc1 ZINC001232479932 1038261134 /nfs/dbraw/zinc/26/11/34/1038261134.db2.gz BRLDSCBCKQZKDL-JOCHJYFZSA-N 1 0 379.504 3.873 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc([C@H]3Oc4ccccc4C34CC[NH2+]CC4)n2)c1 ZINC001247896839 1038468835 /nfs/dbraw/zinc/46/88/35/1038468835.db2.gz IFAWHEVHUPSVSK-GOSISDBHSA-N 1 0 376.391 3.502 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@H]3CO[C@@]4(C3)CCC[NH2+]CC4)n2)c(C#N)c1 ZINC001247934693 1038508044 /nfs/dbraw/zinc/50/80/44/1038508044.db2.gz ZWAOZNDRHCZCGP-ZHRRBRCNSA-N 1 0 380.492 3.922 20 30 GHEDRO C=CC[C@H](N)c1nc(-c2ccc(Br)cc2OC(F)(F)F)no1 ZINC001247962655 1038517472 /nfs/dbraw/zinc/51/74/72/1038517472.db2.gz CQCSEFRMQKZHJZ-VIFPVBQESA-N 1 0 378.148 3.974 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001248024766 1038542024 /nfs/dbraw/zinc/54/20/24/1038542024.db2.gz BCUMJFZIYYTVFY-XMMPIXPASA-N 1 0 375.516 3.744 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)c(C)cc1OC)C2 ZINC001232830619 1038583528 /nfs/dbraw/zinc/58/35/28/1038583528.db2.gz OAUCVVCHOIVSPB-VXKWHMMOSA-N 1 0 375.509 3.586 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1 ZINC001232843784 1038594656 /nfs/dbraw/zinc/59/46/56/1038594656.db2.gz CILBMHFVDRZEPD-UHFFFAOYSA-N 1 0 385.533 3.733 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)s1 ZINC001232844008 1038594781 /nfs/dbraw/zinc/59/47/81/1038594781.db2.gz DLIOQAKNTBYQTK-UHFFFAOYSA-N 1 0 385.508 3.626 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001232844040 1038594893 /nfs/dbraw/zinc/59/48/93/1038594893.db2.gz FSVAEFQMPYRGHU-LPHOPBHVSA-N 1 0 379.501 3.791 20 30 GHEDRO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843894 1038595123 /nfs/dbraw/zinc/59/51/23/1038595123.db2.gz ZVWZLUVUHZBRJX-HXUWFJFHSA-N 1 0 379.529 3.990 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001232890487 1038675461 /nfs/dbraw/zinc/67/54/61/1038675461.db2.gz GETUQFPEEWSRHQ-IFMALSPDSA-N 1 0 399.441 3.682 20 30 GHEDRO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001232890856 1038676256 /nfs/dbraw/zinc/67/62/56/1038676256.db2.gz BLNARJJFDUGPNE-UHFFFAOYSA-N 1 0 392.478 3.611 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001233079971 1038847552 /nfs/dbraw/zinc/84/75/52/1038847552.db2.gz RFIFTOJWBSLRIU-QHCPKHFHSA-N 1 0 377.463 3.630 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001233081025 1038847608 /nfs/dbraw/zinc/84/76/08/1038847608.db2.gz LFGRWOQMCPGWJA-RPWUZVMVSA-N 1 0 391.515 3.850 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001252126171 1038875332 /nfs/dbraw/zinc/87/53/32/1038875332.db2.gz MHXXZSQUHASKTC-UNWVZKJWSA-N 1 0 387.568 3.868 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001252127798 1038878504 /nfs/dbraw/zinc/87/85/04/1038878504.db2.gz FKDRVPGCXRYGDR-AYWYSENESA-N 1 0 376.541 3.575 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001252129085 1038879757 /nfs/dbraw/zinc/87/97/57/1038879757.db2.gz WKSXBRPSSAULJS-AQNXPRMDSA-N 1 0 378.582 3.863 20 30 GHEDRO CN(C)c1ccc(C[NH+]2CCC(n3ncc4ccccc43)CC2)c(F)c1C#N ZINC001233101736 1038880482 /nfs/dbraw/zinc/88/04/82/1038880482.db2.gz GCLTWWRJGRIEAF-UHFFFAOYSA-N 1 0 377.467 3.950 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001252130346 1038882192 /nfs/dbraw/zinc/88/21/92/1038882192.db2.gz OPXHXPMHQTYRIJ-IBGZPJMESA-N 1 0 386.540 3.540 20 30 GHEDRO CC(C)(CC1CCC1)[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252337536 1038946245 /nfs/dbraw/zinc/94/62/45/1038946245.db2.gz AENJNXBRKMUQFV-IBGZPJMESA-N 1 0 397.441 3.825 20 30 GHEDRO C[C@](O)(C[NH2+]CCC1=CCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339531 1038946526 /nfs/dbraw/zinc/94/65/26/1038946526.db2.gz HXKNZEKFLHAPNV-IBGZPJMESA-N 1 0 395.425 3.747 20 30 GHEDRO C=C[C@@](C)(O)C[N@@H+](Cc1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001252555736 1039031595 /nfs/dbraw/zinc/03/15/95/1039031595.db2.gz BESYNINXWIXKIB-JOCHJYFZSA-N 1 0 392.515 3.964 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]CC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252575334 1039036828 /nfs/dbraw/zinc/03/68/28/1039036828.db2.gz XZQVORZTBHSGLF-NRFANRHFSA-N 1 0 392.515 3.621 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CCCOc2ccccc2C#N)cc1 ZINC001252768222 1039160221 /nfs/dbraw/zinc/16/02/21/1039160221.db2.gz FQJMFBHYHOLBFT-HXUWFJFHSA-N 1 0 382.504 3.654 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc3cccc(Cl)n13)[C@H]2CC ZINC001233357064 1039177629 /nfs/dbraw/zinc/17/76/29/1039177629.db2.gz IJOSNPQPWSKJJA-UWJYYQICSA-N 1 0 386.927 3.909 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(O)c1Cl)C2 ZINC001233399002 1039238352 /nfs/dbraw/zinc/23/83/52/1039238352.db2.gz HHEYYFZAMKXWNE-FXAWDEMLSA-N 1 0 381.900 3.628 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)CC2 ZINC001233431279 1039303543 /nfs/dbraw/zinc/30/35/43/1039303543.db2.gz RINIQXWTMJKCSN-JOCHJYFZSA-N 1 0 387.524 3.804 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001252983594 1039310200 /nfs/dbraw/zinc/31/02/00/1039310200.db2.gz XTYGGGIBXZNYGW-JQVVWYNYSA-N 1 0 376.541 3.975 20 30 GHEDRO CCCC[C@@H](CC)COC[C@@H](O)CNc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001252995448 1039324302 /nfs/dbraw/zinc/32/43/02/1039324302.db2.gz XLPWVXKBGWEAMM-CVEARBPZSA-N 1 0 379.570 3.613 20 30 GHEDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001233452226 1039332741 /nfs/dbraw/zinc/33/27/41/1039332741.db2.gz OJGHLADYBZXZDG-QWHCGFSZSA-N 1 0 375.284 3.638 20 30 GHEDRO C=CCCCCCC[C@H](O)CNc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC001253232740 1039486942 /nfs/dbraw/zinc/48/69/42/1039486942.db2.gz SDZVZMDVLRRVJA-LNLFQRSKSA-N 1 0 376.545 3.698 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001253236805 1039492593 /nfs/dbraw/zinc/49/25/93/1039492593.db2.gz UAWUBLQNACTXNG-QFIPXVFZSA-N 1 0 390.568 3.834 20 30 GHEDRO COC(=O)c1ccc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(C#N)c1 ZINC001233631960 1039497328 /nfs/dbraw/zinc/49/73/28/1039497328.db2.gz KGFKLEKTIRTRBK-KAGYGMCKSA-N 1 0 376.456 3.634 20 30 GHEDRO CC#C[C@@H](CC(=O)OCC)c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001233793218 1039622153 /nfs/dbraw/zinc/62/21/53/1039622153.db2.gz RMDRLISBGFRNRF-QNWVGRARSA-N 1 0 399.531 3.769 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]C23CCC(C#N)(CC2)CC3)cc1 ZINC001253433706 1039633907 /nfs/dbraw/zinc/63/39/07/1039633907.db2.gz HUAAKMMNFORZIC-BVVFMGSASA-N 1 0 384.520 3.708 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]C23CCC(C#N)(CC2)CC3)cc1 ZINC001253433707 1039634395 /nfs/dbraw/zinc/63/43/95/1039634395.db2.gz HUAAKMMNFORZIC-YUVSOPLDSA-N 1 0 384.520 3.708 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)ccc21 ZINC001253598863 1039716629 /nfs/dbraw/zinc/71/66/29/1039716629.db2.gz ACKFSHBEYVRAJX-XLIONFOSSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001253610160 1039720151 /nfs/dbraw/zinc/72/01/51/1039720151.db2.gz BHHPIVZKTVXMPW-DZGCQCFKSA-N 1 0 397.313 3.772 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1cncn1C ZINC001253616275 1039727596 /nfs/dbraw/zinc/72/75/96/1039727596.db2.gz RFASYPNAZBEAKZ-QFIPXVFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CCO[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C[NH+](C)C ZINC001233981088 1039742003 /nfs/dbraw/zinc/74/20/03/1039742003.db2.gz CAWPOYFEWVBIHG-JTSKRJEESA-N 1 0 394.519 3.552 20 30 GHEDRO COc1ccc(/C=C\C(=O)c2ccccc2OCC[N@H+]2CC[C@@H](OC)C2)cc1 ZINC001234078716 1039819301 /nfs/dbraw/zinc/81/93/01/1039819301.db2.gz CCKWMTKNIJLYQZ-FNUUXAGOSA-N 1 0 381.472 3.691 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C(c2ccccc2)c2ccccc2)C1 ZINC001253928619 1039908135 /nfs/dbraw/zinc/90/81/35/1039908135.db2.gz FCYFYQTYWYRJSZ-VXKWHMMOSA-N 1 0 394.515 3.556 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C(c2ccccc2)c2ccccc2)C1 ZINC001253928620 1039908507 /nfs/dbraw/zinc/90/85/07/1039908507.db2.gz FCYFYQTYWYRJSZ-YADHBBJMSA-N 1 0 394.515 3.556 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(F)cc(Br)cc1C(F)(F)F ZINC001234198157 1039916678 /nfs/dbraw/zinc/91/66/78/1039916678.db2.gz APCWZRSLFRWWPU-SNVBAGLBSA-N 1 0 384.191 3.974 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@@H]2C[C@]3(CO2)CCCC[NH2+]3)cc1 ZINC001254068123 1039981652 /nfs/dbraw/zinc/98/16/52/1039981652.db2.gz MISMYKDAMUOMSY-DHLKQENFSA-N 1 0 398.510 3.895 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C1CCOCC1 ZINC001462448933 1070260450 /nfs/dbraw/zinc/26/04/50/1070260450.db2.gz VMDDGSAHZXZIDJ-BHIFYINESA-N 1 0 398.547 3.798 20 30 GHEDRO C[N@@H+]1CCC[C@H](Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001234717120 1040248877 /nfs/dbraw/zinc/24/88/77/1040248877.db2.gz VMUJOMJFAFCTTA-FYXHJSOBSA-N 1 0 395.455 3.620 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC001254473265 1040261052 /nfs/dbraw/zinc/26/10/52/1040261052.db2.gz GOZHKPCZIWAEQV-AVRDEDQJSA-N 1 0 376.504 3.844 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2CC ZINC001254562208 1040335883 /nfs/dbraw/zinc/33/58/83/1040335883.db2.gz PIGXOQVOMXBTNV-ZNLUXHQJSA-N 1 0 385.508 3.947 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254596674 1040368738 /nfs/dbraw/zinc/36/87/38/1040368738.db2.gz DYOSLPMXPLRUSA-FQEVSTJZSA-N 1 0 399.491 3.563 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(C[N@H+]3CC[C@H](CO)C3)c2)cc1 ZINC001234964984 1040469509 /nfs/dbraw/zinc/46/95/09/1040469509.db2.gz BRCCHFAGMLGOGN-HNNXBMFYSA-N 1 0 387.277 3.927 20 30 GHEDRO C=CCOc1ccc(CN2CCc3ccc(OC)cc3C23CC[NH2+]CC3)cc1 ZINC001235017379 1040505318 /nfs/dbraw/zinc/50/53/18/1040505318.db2.gz DOLOIDPHCIRAOE-UHFFFAOYSA-N 1 0 378.516 3.897 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001462470162 1070278758 /nfs/dbraw/zinc/27/87/58/1070278758.db2.gz IYBMUUDVOLKVCU-AVRDEDQJSA-N 1 0 384.524 3.503 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-c3nnc(C)o3)cc1)C2 ZINC001235048852 1040541652 /nfs/dbraw/zinc/54/16/52/1040541652.db2.gz MSPIDGAMTNDHGW-RBBKRZOGSA-N 1 0 383.492 3.619 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1)c1cccc(C#N)c1 ZINC001254812472 1040571135 /nfs/dbraw/zinc/57/11/35/1040571135.db2.gz LDNQDZIKLBYHOJ-RBUKOAKNSA-N 1 0 385.508 3.767 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cccc(O)c3Cl)CC2)C1=O ZINC001277918716 1040576350 /nfs/dbraw/zinc/57/63/50/1040576350.db2.gz LRMQEVBAMPFHHW-HXUWFJFHSA-N 1 0 375.900 3.554 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001278832341 1040718826 /nfs/dbraw/zinc/71/88/26/1040718826.db2.gz PHVQEKPDZGEBIK-UHFFFAOYSA-N 1 0 399.336 3.747 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc5cccc(F)c5[nH]4)C3)CC2=O)c1 ZINC001235242798 1040725175 /nfs/dbraw/zinc/72/51/75/1040725175.db2.gz IOYDNPSBZAHMSK-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])NC3CCSCC3)c3ccccc32)cc1 ZINC001255088299 1040775738 /nfs/dbraw/zinc/77/57/38/1040775738.db2.gz OWBATFKHBVOTPP-UHFFFAOYSA-N 1 0 380.517 3.694 20 30 GHEDRO Cc1cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc(C)c1OCCO ZINC001235375012 1040881818 /nfs/dbraw/zinc/88/18/18/1040881818.db2.gz OGOVIOXQKKHCRF-UHFFFAOYSA-N 1 0 380.488 3.590 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(F)c(F)c(OC)c3)CC2)C1 ZINC001235434630 1040935822 /nfs/dbraw/zinc/93/58/22/1040935822.db2.gz UMBSPXVSXQSFBR-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001235519967 1040973247 /nfs/dbraw/zinc/97/32/47/1040973247.db2.gz XACKLJLHYVVCKT-UHFFFAOYSA-N 1 0 388.515 3.666 20 30 GHEDRO C[C@H](Cc1ccc(F)cc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001255881000 1041372270 /nfs/dbraw/zinc/37/22/70/1041372270.db2.gz YNVNWTOBTMGUTK-MRXNPFEDSA-N 1 0 380.467 3.914 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)C1 ZINC001255917670 1041403614 /nfs/dbraw/zinc/40/36/14/1041403614.db2.gz MPDBLDARLHSNKE-RBUKOAKNSA-N 1 0 385.508 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)C1 ZINC001255917668 1041404360 /nfs/dbraw/zinc/40/43/60/1041404360.db2.gz MPDBLDARLHSNKE-MOPGFXCFSA-N 1 0 385.508 3.801 20 30 GHEDRO N#Cc1cc(-c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)ccc1F ZINC001235893642 1041417275 /nfs/dbraw/zinc/41/72/75/1041417275.db2.gz NHPZMVIPCBVLKB-QGZVFWFLSA-N 1 0 389.434 3.874 20 30 GHEDRO CC(C)Oc1c(F)c(F)c(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c(F)c1F ZINC001236225406 1041631279 /nfs/dbraw/zinc/63/12/79/1041631279.db2.gz FMHQGOZTHFKOHO-UHFFFAOYSA-N 1 0 393.384 3.978 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4C[NH2+]C[C@@H]43)c2)cc1 ZINC001236293035 1041661821 /nfs/dbraw/zinc/66/18/21/1041661821.db2.gz NRKQBYZCXJUCRG-BEFAXECRSA-N 1 0 384.277 3.517 20 30 GHEDRO Cn1cc(CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)c2cc(C#N)ccc21 ZINC001236408697 1041704918 /nfs/dbraw/zinc/70/49/18/1041704918.db2.gz QRFLRRIMTAQYKS-UHFFFAOYSA-N 1 0 376.479 3.943 20 30 GHEDRO C=CCOc1ccccc1CN(Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236464639 1041726441 /nfs/dbraw/zinc/72/64/41/1041726441.db2.gz IZWYKRNYATVEJB-UHFFFAOYSA-N 1 0 394.515 3.792 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3cccc(COc4ccccc4)c3)CC2)cn1 ZINC001462566248 1070371901 /nfs/dbraw/zinc/37/19/01/1070371901.db2.gz WEOPOZSSPJQEEX-UHFFFAOYSA-N 1 0 384.483 3.854 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)C2 ZINC001236767068 1041879858 /nfs/dbraw/zinc/87/98/58/1041879858.db2.gz COGVQNBTDONCHH-NRFANRHFSA-N 1 0 390.911 3.660 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(Br)c2)C[C@@H]1c1ccccc1 ZINC001236861841 1041932292 /nfs/dbraw/zinc/93/22/92/1041932292.db2.gz VGUBCTVTRXTVNI-MSOLQXFVSA-N 1 0 399.288 3.709 20 30 GHEDRO C#CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CCc2ccccc21 ZINC001236937449 1041964852 /nfs/dbraw/zinc/96/48/52/1041964852.db2.gz HZBVLKJRISAMOX-XMMPIXPASA-N 1 0 377.507 3.700 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC001237355210 1042165385 /nfs/dbraw/zinc/16/53/85/1042165385.db2.gz SSUBKSZQTPRSDR-HXUWFJFHSA-N 1 0 382.426 3.960 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c2cc(C#N)ccc21 ZINC001237467654 1042220549 /nfs/dbraw/zinc/22/05/49/1042220549.db2.gz DQAJCRXCGKAPFQ-XLIONFOSSA-N 1 0 391.544 3.603 20 30 GHEDRO Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cn(C)c5ccc(C#N)cc45)C3)CC2=O)c1 ZINC001237470279 1042222259 /nfs/dbraw/zinc/22/22/59/1042222259.db2.gz URTZCKXSGKQLPV-VWLOTQADSA-N 1 0 398.510 3.987 20 30 GHEDRO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237472384 1042222606 /nfs/dbraw/zinc/22/26/06/1042222606.db2.gz OYIIITVTVCOMPZ-UHFFFAOYSA-N 1 0 386.499 3.787 20 30 GHEDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1cn(C)c3ccc(C#N)cc13)CC2 ZINC001237472713 1042223627 /nfs/dbraw/zinc/22/36/27/1042223627.db2.gz LUEGTYYRXNVAML-LJQANCHMSA-N 1 0 379.504 3.995 20 30 GHEDRO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473168 1042223669 /nfs/dbraw/zinc/22/36/69/1042223669.db2.gz UOGCMTOPLGRDTD-HNAYVOBHSA-N 1 0 382.508 3.928 20 30 GHEDRO CCn1c2ccccc2nc1N1CC[NH+](Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237473153 1042223833 /nfs/dbraw/zinc/22/38/33/1042223833.db2.gz UDLTYOWUXYSGCF-UHFFFAOYSA-N 1 0 398.514 3.742 20 30 GHEDRO CCOC(=O)Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc1 ZINC001237483478 1042227817 /nfs/dbraw/zinc/22/78/17/1042227817.db2.gz KQFIMBXGMWWAGQ-UHFFFAOYSA-N 1 0 380.463 3.989 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN(Cc2cc(C)c(F)cc2Br)C1 ZINC001237512982 1042244344 /nfs/dbraw/zinc/24/43/44/1042244344.db2.gz UHZUFPVRUONWKO-AWEZNQCLSA-N 1 0 385.277 3.773 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(C)c(Br)c1)CC2 ZINC001237551591 1042260446 /nfs/dbraw/zinc/26/04/46/1042260446.db2.gz VPQZHIJBWONQBP-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3cc(C)c(Cl)cc3Cl)CC2)C1=O ZINC001237703707 1042333046 /nfs/dbraw/zinc/33/30/46/1042333046.db2.gz QGUKXWKYEQQGFG-UHFFFAOYSA-N 1 0 396.362 3.596 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4cc(Cl)cc(C#N)c4)C3)CC2=O)cc1 ZINC001237749219 1042352218 /nfs/dbraw/zinc/35/22/18/1042352218.db2.gz QTNLUFSBDUXOEC-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccccc1C(=O)OCC)[C@H]2CC ZINC001237886267 1042410361 /nfs/dbraw/zinc/41/03/61/1042410361.db2.gz XYIYBDCKFWBFHU-REWPJTCUSA-N 1 0 384.520 3.785 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cccc(N4CCCCC4)n3)C2)cc1 ZINC001238002656 1042453844 /nfs/dbraw/zinc/45/38/44/1042453844.db2.gz AQFPKYCPHHDSLF-QFIPXVFZSA-N 1 0 376.504 3.987 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238011633 1042458453 /nfs/dbraw/zinc/45/84/53/1042458453.db2.gz MMXORTGBFKYKKD-HSZRJFAPSA-N 1 0 392.503 3.802 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c(Cl)c1 ZINC001238083880 1042486063 /nfs/dbraw/zinc/48/60/63/1042486063.db2.gz YVDTWZPWSZZSSD-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]2C1 ZINC001238087287 1042487433 /nfs/dbraw/zinc/48/74/33/1042487433.db2.gz YHHDSLJNMNHEAI-WBVHZDCISA-N 1 0 375.900 3.900 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3ccc(Cl)c(C#N)c3)C2)C1 ZINC001238189437 1042513593 /nfs/dbraw/zinc/51/35/93/1042513593.db2.gz QZNVVMNMILHWDO-OAHLLOKOSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cc(CN2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)ccc1Cl ZINC001238196610 1042516244 /nfs/dbraw/zinc/51/62/44/1042516244.db2.gz UEHNQNPLTXQQIM-MRXNPFEDSA-N 1 0 383.854 3.971 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001238348310 1042564695 /nfs/dbraw/zinc/56/46/95/1042564695.db2.gz RCXWRWUFVAEURY-UXHICEINSA-N 1 0 388.618 3.738 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)ccc1C#N ZINC001238406722 1042586185 /nfs/dbraw/zinc/58/61/85/1042586185.db2.gz IBDDMIYKFYCQCJ-UHFFFAOYSA-N 1 0 389.499 3.724 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)ccc1C#N ZINC001238407907 1042586975 /nfs/dbraw/zinc/58/69/75/1042586975.db2.gz UHSKOTMSRXVIKV-JTHBVZDNSA-N 1 0 384.520 3.897 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(C)cc(F)cc3Br)C2)C1=O ZINC001238564517 1042641664 /nfs/dbraw/zinc/64/16/64/1042641664.db2.gz XDGPCNLTOFRQCU-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)cc(N3CCCC3)c1)C2 ZINC001238703077 1042692015 /nfs/dbraw/zinc/69/20/15/1042692015.db2.gz XZOQEDWZYDXYED-DHIUTWEWSA-N 1 0 388.527 4.000 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CC2)COCCN(c2nccs2)C3)ccc1C#N ZINC001238761552 1042718337 /nfs/dbraw/zinc/71/83/37/1042718337.db2.gz DOXPOCZDWFDILG-UHFFFAOYSA-N 1 0 396.560 3.696 20 30 GHEDRO CCc1cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)ccc1C#N ZINC001238763964 1042719322 /nfs/dbraw/zinc/71/93/22/1042719322.db2.gz YFDZTHBQXRVAJY-DEOSSOPVSA-N 1 0 388.515 3.673 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cccnc1OCc1ccccc1)CC2 ZINC001238772382 1042722000 /nfs/dbraw/zinc/72/20/00/1042722000.db2.gz FSGNESJFHLJFNJ-UHFFFAOYSA-N 1 0 391.515 3.804 20 30 GHEDRO C[NH+]1CCC(COc2cnc(-c3ccc(C(F)(F)F)cc3C#N)nc2)CC1 ZINC001238840315 1042741013 /nfs/dbraw/zinc/74/10/13/1042741013.db2.gz RHANQCAOVIUXIN-UHFFFAOYSA-N 1 0 376.382 3.755 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001239176193 1042779311 /nfs/dbraw/zinc/77/93/11/1042779311.db2.gz DTLAOZRCFLBEIG-UHFFFAOYSA-N 1 0 378.582 3.814 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@H]([NH3+])c2ccc(C(=O)OC)cc2)c1 ZINC001239258723 1042799385 /nfs/dbraw/zinc/79/93/85/1042799385.db2.gz WWEGVLSJVYKXBT-FQEVSTJZSA-N 1 0 395.503 3.741 20 30 GHEDRO CCCCCCCCCNC(=S)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001239343218 1042810651 /nfs/dbraw/zinc/81/06/51/1042810651.db2.gz MWXRLKQIDJIQHH-UHFFFAOYSA-N 1 0 390.597 3.769 20 30 GHEDRO CCCCCCCNC(=S)NCC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001239387309 1042819633 /nfs/dbraw/zinc/81/96/33/1042819633.db2.gz ZOLNCUPRFXLYRV-UHFFFAOYSA-N 1 0 377.598 3.751 20 30 GHEDRO C=CCCCNC(=S)NC1(Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001239387273 1042819638 /nfs/dbraw/zinc/81/96/38/1042819638.db2.gz XQIBLEIGDWOCEW-UHFFFAOYSA-N 1 0 385.499 3.800 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001239435652 1042828660 /nfs/dbraw/zinc/82/86/60/1042828660.db2.gz YAJYQDIFALFMED-DENIHFKCSA-N 1 0 376.529 3.508 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)cc1F ZINC001240149829 1042897872 /nfs/dbraw/zinc/89/78/72/1042897872.db2.gz IMVYKRFNTKKDCN-QGZVFWFLSA-N 1 0 389.434 3.874 20 30 GHEDRO N#Cc1cc(-c2cnc(Cl)n2[C@H]2CCCCO2)ccc1OC1CC[NH2+]CC1 ZINC001240544340 1042939686 /nfs/dbraw/zinc/93/96/86/1042939686.db2.gz HOYLZQSUDLDUTG-LJQANCHMSA-N 1 0 386.883 3.905 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)CC1 ZINC001291113648 1043085994 /nfs/dbraw/zinc/08/59/94/1043085994.db2.gz JLYSWETXFICTOS-GOSISDBHSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1 ZINC001256674963 1043614882 /nfs/dbraw/zinc/61/48/82/1043614882.db2.gz AYXQPOKJOYNEMF-AOCRQIFASA-N 1 0 395.544 3.541 20 30 GHEDRO CC[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001292195969 1043621995 /nfs/dbraw/zinc/62/19/95/1043621995.db2.gz RCLOJWHBQKBUMC-NRFANRHFSA-N 1 0 392.551 3.950 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])NC3CCC(C#N)CC3)c3ccccc32)cc1 ZINC001256964112 1043775593 /nfs/dbraw/zinc/77/55/93/1043775593.db2.gz VKSZDFJHBJDGBK-UHFFFAOYSA-N 1 0 387.487 3.881 20 30 GHEDRO COC[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)C(=O)NCc1ccccc1 ZINC001257010613 1043798552 /nfs/dbraw/zinc/79/85/52/1043798552.db2.gz DKQQSISBWXQJSF-XPPIMPSXSA-N 1 0 391.515 3.505 20 30 GHEDRO CCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001292804281 1043885079 /nfs/dbraw/zinc/88/50/79/1043885079.db2.gz CLNGKFPWVWWJHV-PZJWPPBQSA-N 1 0 394.567 3.881 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](CC)C2)C1 ZINC001257142165 1043892942 /nfs/dbraw/zinc/89/29/42/1043892942.db2.gz HWAYBKURKXYYTK-KURKYZTESA-N 1 0 395.544 3.541 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](CC(C)C)[NH+](C)C)s1 ZINC001292956366 1043963500 /nfs/dbraw/zinc/96/35/00/1043963500.db2.gz OYMLKFCDMQFIAZ-AWEZNQCLSA-N 1 0 390.018 3.931 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C ZINC001293379867 1044144230 /nfs/dbraw/zinc/14/42/30/1044144230.db2.gz VDHCQFRUQZPUEG-GOSISDBHSA-N 1 0 386.588 3.970 20 30 GHEDRO CC(C)OC1CCC([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001257881561 1044240765 /nfs/dbraw/zinc/24/07/65/1044240765.db2.gz HXIZCBOAZNEQLT-IRSIHTCSSA-N 1 0 381.520 3.723 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H]3CCc4c(ccc(=O)n4Cc4ccncc4)C3)C[C@H](C1)C2 ZINC001257887119 1044245063 /nfs/dbraw/zinc/24/50/63/1044245063.db2.gz URUSKJSEXCHLMV-IHASJPSXSA-N 1 0 389.543 3.873 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4CN(CC(C)C)S(=O)(=O)[C@@H]4CC3)C[C@H](C1)C2 ZINC001257890777 1044246655 /nfs/dbraw/zinc/24/66/55/1044246655.db2.gz AGGVHHNMAUODDN-OSRHQDSCSA-N 1 0 380.598 3.503 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001258048685 1044371526 /nfs/dbraw/zinc/37/15/26/1044371526.db2.gz XBSXQWDSGSWPRY-GMAHTHKFSA-N 1 0 389.584 3.734 20 30 GHEDRO CCOC(=O)CCC[C@H](C)[NH2+][C@@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001258113669 1044402343 /nfs/dbraw/zinc/40/23/43/1044402343.db2.gz YUPYQEHEALRHEO-HOTGVXAUSA-N 1 0 383.492 3.816 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(C1CC[NH+](CCc3ccccc3)CC1)CCO2 ZINC001258141952 1044428792 /nfs/dbraw/zinc/42/87/92/1044428792.db2.gz QHEDXSLPIZYKKY-ILBGXUMGSA-N 1 0 398.591 3.767 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](C1CCN(c3cccc(F)c3)CC1)CC2 ZINC001258418898 1044552228 /nfs/dbraw/zinc/55/22/28/1044552228.db2.gz KBRJSHPDNJKSPN-UHFFFAOYSA-N 1 0 387.499 3.515 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+]C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258538916 1044615265 /nfs/dbraw/zinc/61/52/65/1044615265.db2.gz BMQFKCHIDQQBOF-UHFFFAOYSA-N 1 0 391.943 3.933 20 30 GHEDRO C=CCC[C@H](C)N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001258727974 1044734358 /nfs/dbraw/zinc/73/43/58/1044734358.db2.gz KSSGFVHEFMXAHW-SFHVURJKSA-N 1 0 390.535 3.953 20 30 GHEDRO COc1cc(C[C@@H](C)[NH2+]CCCOc2ccccc2C#N)cc(OC)c1OC ZINC001258860854 1044800005 /nfs/dbraw/zinc/80/00/05/1044800005.db2.gz XYCCUONTHWYLKE-MRXNPFEDSA-N 1 0 384.476 3.574 20 30 GHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)c1ccccc1C#N)C1CCCCC1 ZINC001462887988 1070627697 /nfs/dbraw/zinc/62/76/97/1070627697.db2.gz HHKKVABXMXGUDK-UHFFFAOYSA-N 1 0 397.544 3.801 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001296275437 1045292990 /nfs/dbraw/zinc/29/29/90/1045292990.db2.gz WNRVNWWKCHPTNX-MSOLQXFVSA-N 1 0 381.561 3.617 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 ZINC001297149111 1045465250 /nfs/dbraw/zinc/46/52/50/1045465250.db2.gz RCRDWGFBDCCCML-UHFFFAOYSA-N 1 0 383.439 3.906 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1CC[NH+]1CCCC1 ZINC001298283831 1045763077 /nfs/dbraw/zinc/76/30/77/1045763077.db2.gz QDDCUTHYCNSBSH-UHFFFAOYSA-N 1 0 378.524 3.540 20 30 GHEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001299753784 1046020582 /nfs/dbraw/zinc/02/05/82/1046020582.db2.gz HOUIIQPQZSXSJI-ZTFGCOKTSA-N 1 0 379.426 3.963 20 30 GHEDRO C=C(Br)Cn1c(N2CCC[C@@H]([NH+]3CCCC3)C2)nnc1C(C)(C)C ZINC001300863691 1046214457 /nfs/dbraw/zinc/21/44/57/1046214457.db2.gz RMRLBOQWAXHLIH-OAHLLOKOSA-N 1 0 396.377 3.549 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300914060 1046238029 /nfs/dbraw/zinc/23/80/29/1046238029.db2.gz AVPNIXHKLQUMOP-MOPGFXCFSA-N 1 0 399.539 3.615 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CC[N@H+]1CC=CCC1 ZINC001300925590 1046245805 /nfs/dbraw/zinc/24/58/05/1046245805.db2.gz YEMWRTUACYHCGM-UHFFFAOYSA-N 1 0 399.514 3.661 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001300958593 1046260562 /nfs/dbraw/zinc/26/05/62/1046260562.db2.gz LQMDEMRQVBHEAI-NRFANRHFSA-N 1 0 379.552 3.908 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001301023449 1046294445 /nfs/dbraw/zinc/29/44/45/1046294445.db2.gz GAQHXDGAPLTVNM-MRXNPFEDSA-N 1 0 375.904 3.664 20 30 GHEDRO C=C(Cl)Cn1c(CC(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001301045967 1046306996 /nfs/dbraw/zinc/30/69/96/1046306996.db2.gz ZRIXVMGGMDWROG-SFHVURJKSA-N 1 0 387.959 3.940 20 30 GHEDRO C=CC1CCN(c2nnc(COCC)n2C[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001301135132 1046365320 /nfs/dbraw/zinc/36/53/20/1046365320.db2.gz SSQFLNXUJWUWNM-LJQANCHMSA-N 1 0 399.539 3.647 20 30 GHEDRO C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301177411 1046389386 /nfs/dbraw/zinc/38/93/86/1046389386.db2.gz ZMJXCYAXYDSLOV-GHTZIAJQSA-N 1 0 390.535 3.846 20 30 GHEDRO C[C@H]1C[C@@H](N(C)c2nnc(CCCCC#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC001262867328 1046390536 /nfs/dbraw/zinc/39/05/36/1046390536.db2.gz OHBQZHHPCVSYHO-ICSRJNTNSA-N 1 0 380.540 3.541 20 30 GHEDRO C=CCCCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001301198014 1046399367 /nfs/dbraw/zinc/39/93/67/1046399367.db2.gz VTMRPJOECXITIC-VQTJNVASSA-N 1 0 387.572 3.798 20 30 GHEDRO C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001301206988 1046403637 /nfs/dbraw/zinc/40/36/37/1046403637.db2.gz MTQAHBQCILXWDD-DLBZAZTESA-N 1 0 398.511 3.738 20 30 GHEDRO C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001301208765 1046404855 /nfs/dbraw/zinc/40/48/55/1046404855.db2.gz CZMSWMWXAOONCM-HOTGVXAUSA-N 1 0 388.947 3.879 20 30 GHEDRO C=CCCCn1c(C2CC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001301216722 1046409614 /nfs/dbraw/zinc/40/96/14/1046409614.db2.gz QCUBEDLBPOKGMK-UHFFFAOYSA-N 1 0 390.535 3.706 20 30 GHEDRO C=CC[C@@H](c1nnc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)n1C)c1ccccc1 ZINC001262912371 1046416808 /nfs/dbraw/zinc/41/68/08/1046416808.db2.gz YTYRVAIPAKVFIU-XSDIEEQYSA-N 1 0 379.552 3.690 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC[N@H+](C)C(C)C ZINC001301281285 1046451725 /nfs/dbraw/zinc/45/17/25/1046451725.db2.gz KEAIVFKFPURPAJ-UHFFFAOYSA-N 1 0 391.947 3.960 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(CC)nnc1N1CCC(F)(F)CC1)C(C)C ZINC001301366661 1046511097 /nfs/dbraw/zinc/51/10/97/1046511097.db2.gz GSPHEJWLUHBIOR-QGZVFWFLSA-N 1 0 381.515 3.775 20 30 GHEDRO C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001301530287 1046581751 /nfs/dbraw/zinc/58/17/51/1046581751.db2.gz ROKYRACAHGJMED-MOPGFXCFSA-N 1 0 397.567 3.934 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001263285626 1046679524 /nfs/dbraw/zinc/67/95/24/1046679524.db2.gz KMFCZHZMKUMZNH-HSZRJFAPSA-N 1 0 397.567 3.645 20 30 GHEDRO C=C(C)Cn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CC=C(COC)CC1 ZINC001263300823 1046698077 /nfs/dbraw/zinc/69/80/77/1046698077.db2.gz ARQDPHNVUNNKQY-IBGZPJMESA-N 1 0 395.551 3.830 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001263303972 1046701499 /nfs/dbraw/zinc/70/14/99/1046701499.db2.gz ODHIKJDKFCVNHP-MRXNPFEDSA-N 1 0 399.587 3.657 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2)n1CC[N@H+](C)C1CCCCC1 ZINC001301958323 1046761031 /nfs/dbraw/zinc/76/10/31/1046761031.db2.gz BAFHRPAUVOWTHE-SFHVURJKSA-N 1 0 380.540 3.805 20 30 GHEDRO CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001303073937 1047271322 /nfs/dbraw/zinc/27/13/22/1047271322.db2.gz WJTJLGFFJSORHM-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001303177179 1047305342 /nfs/dbraw/zinc/30/53/42/1047305342.db2.gz GYFIINJKQVMBAE-OALUTQOASA-N 1 0 386.588 3.900 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001303368117 1047373674 /nfs/dbraw/zinc/37/36/74/1047373674.db2.gz KSKQCOJQPSIGBM-DXRYJVABSA-N 1 0 388.511 3.714 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)CC1 ZINC001303793257 1047513902 /nfs/dbraw/zinc/51/39/02/1047513902.db2.gz YRPYNXHTHLUKSV-UHFFFAOYSA-N 1 0 398.510 3.675 20 30 GHEDRO C#CCN(C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001304000691 1047558444 /nfs/dbraw/zinc/55/84/44/1047558444.db2.gz VXAZOXARKXUHOR-UHFFFAOYSA-N 1 0 395.330 3.902 20 30 GHEDRO CSc1cccc(N(C(=O)Cc2cccc(C#N)c2)C2CC[NH+](C)CC2)c1 ZINC001265149028 1047563812 /nfs/dbraw/zinc/56/38/12/1047563812.db2.gz ZOPOVGSDHPYLEQ-UHFFFAOYSA-N 1 0 379.529 3.950 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001304802412 1047774289 /nfs/dbraw/zinc/77/42/89/1047774289.db2.gz PWXJNDAZPHYQIQ-ZWKOTPCHSA-N 1 0 392.551 3.748 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@H]3C[N@H+](CCCC(F)(F)F)C[C@H]32)c1Cl ZINC001279370481 1047783786 /nfs/dbraw/zinc/78/37/86/1047783786.db2.gz QMMAMMDFRLZEHC-CMPLNLGQSA-N 1 0 392.878 3.704 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C ZINC001305020172 1047839084 /nfs/dbraw/zinc/83/90/84/1047839084.db2.gz MSNPTVULEBOBMU-SFHVURJKSA-N 1 0 386.588 3.970 20 30 GHEDRO CC1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N2CCC(C#N)CC2)CC1 ZINC001305102867 1047904650 /nfs/dbraw/zinc/90/46/50/1047904650.db2.gz XPKFYYFSDLRUFI-UHFFFAOYSA-N 1 0 395.555 3.525 20 30 GHEDRO CCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NCCc1ccccn1 ZINC001279865215 1047972480 /nfs/dbraw/zinc/97/24/80/1047972480.db2.gz RVXXEQXHYJNZRR-LJQANCHMSA-N 1 0 375.582 3.518 20 30 GHEDRO N#Cc1c(NC(=O)[C@@H]2CCSC23C[NH+](CC2CC2)C3)sc2c1CCCC2 ZINC001279872797 1047975843 /nfs/dbraw/zinc/97/58/43/1047975843.db2.gz HLDQVTYGDRUQHY-INIZCTEOSA-N 1 0 387.574 3.655 20 30 GHEDRO C=CCCNC(=S)N1CCC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001279936187 1047994867 /nfs/dbraw/zinc/99/48/67/1047994867.db2.gz GCCQTSRIHYPQNG-KRWDZBQOSA-N 1 0 377.520 3.958 20 30 GHEDRO CCCc1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(=O)NC2(C#N)CCC2)s1 ZINC001279952702 1048004024 /nfs/dbraw/zinc/00/40/24/1048004024.db2.gz QYJIIJQBSSUNHR-KRWDZBQOSA-N 1 0 389.590 3.571 20 30 GHEDRO CCCCCCCNC(=S)N1CC[C@H]2C[N@H+](Cc3scnc3C)C[C@H]21 ZINC001279957214 1048011569 /nfs/dbraw/zinc/01/15/69/1048011569.db2.gz OISHRWPXZPXSSR-DLBZAZTESA-N 1 0 380.627 3.803 20 30 GHEDRO N#CCC1CN(C(=O)[C@@H]2CCC3(C2)CC[NH+](Cc2scnc2Cl)CC3)C1 ZINC001280000487 1048035657 /nfs/dbraw/zinc/03/56/57/1048035657.db2.gz CVGQFZWDXYTCMO-OAHLLOKOSA-N 1 0 392.956 3.551 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1Cc1ccc(C#N)o1 ZINC001305459849 1048066308 /nfs/dbraw/zinc/06/63/08/1048066308.db2.gz SZWSYTQXFCJSDU-KRWDZBQOSA-N 1 0 396.539 3.759 20 30 GHEDRO C=CCCCC[NH+]1CC2(C[C@H]2C(=O)Nc2ncc(C)cc2Br)C1 ZINC001280129649 1048096020 /nfs/dbraw/zinc/09/60/20/1048096020.db2.gz XFMCUYZPEBQCGK-AWEZNQCLSA-N 1 0 378.314 3.769 20 30 GHEDRO CC/C=C\CCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1(C#N)CCC1 ZINC001280237998 1048141094 /nfs/dbraw/zinc/14/10/94/1048141094.db2.gz SQKVVILAIPKVJQ-JXCVUKRWSA-N 1 0 375.582 3.883 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@@H+](C)[C@H](C)CC ZINC001286286087 1048255640 /nfs/dbraw/zinc/25/56/40/1048255640.db2.gz SXKRYRRGBOJHQD-QZTJIDSGSA-N 1 0 392.551 3.625 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001286297883 1048261897 /nfs/dbraw/zinc/26/18/97/1048261897.db2.gz YOCQXNVBQCNCLK-FPOVZHCZSA-N 1 0 393.579 3.989 20 30 GHEDRO C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001286340275 1048278031 /nfs/dbraw/zinc/27/80/31/1048278031.db2.gz WUFGGYYYHAIYGB-UHFFFAOYSA-N 1 0 383.927 3.544 20 30 GHEDRO CCc1ccc([C@H](Cn2c(CC3CC3)nnc2N(C)[C@@H](C)CC#N)[NH+](C)C)cc1 ZINC001305915674 1048306497 /nfs/dbraw/zinc/30/64/97/1048306497.db2.gz BJVDVFGSTHLRQL-UWJYYQICSA-N 1 0 394.567 3.834 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)[NH+](CC)CC ZINC001286442145 1048324144 /nfs/dbraw/zinc/32/41/44/1048324144.db2.gz NDGWWEGTSOVZGC-GOSISDBHSA-N 1 0 392.551 3.627 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001286651275 1048418797 /nfs/dbraw/zinc/41/87/97/1048418797.db2.gz ZFWJTYALYDSHRY-OAQYLSRUSA-N 1 0 395.551 3.808 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286665507 1048431597 /nfs/dbraw/zinc/43/15/97/1048431597.db2.gz IVHWTELOIKILSE-HXUWFJFHSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CCC(C)(C)Cn1c(C(C)C)nnc1N1C[C@H](N2CCOCC2)[C@@H](CC)C1 ZINC001286667073 1048433411 /nfs/dbraw/zinc/43/34/11/1048433411.db2.gz OIFXBLDCPBWMJP-OALUTQOASA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCCCn1c(-c2ccccc2C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001286696581 1048457787 /nfs/dbraw/zinc/45/77/87/1048457787.db2.gz IYUYCOWOUOYKIU-UHFFFAOYSA-N 1 0 397.567 3.767 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001286722027 1048478611 /nfs/dbraw/zinc/47/86/11/1048478611.db2.gz OLGIJPUJEVWSJW-GOSISDBHSA-N 1 0 378.524 3.806 20 30 GHEDRO C=CCN(C)c1nnc(C2CCC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001286723706 1048480867 /nfs/dbraw/zinc/48/08/67/1048480867.db2.gz XNLUNEYAMVAUKU-UHFFFAOYSA-N 1 0 375.586 3.529 20 30 GHEDRO C=CCN(CC=C)c1nnc(C)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001286753362 1048505926 /nfs/dbraw/zinc/50/59/26/1048505926.db2.gz BGBWZWGSPRHYEU-OAQYLSRUSA-N 1 0 381.524 3.611 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286759193 1048512187 /nfs/dbraw/zinc/51/21/87/1048512187.db2.gz LQRRMLXCXIVKAO-UXHICEINSA-N 1 0 394.567 3.563 20 30 GHEDRO C=CCOc1ccc(Cn2c(C3CC3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001286797125 1048526101 /nfs/dbraw/zinc/52/61/01/1048526101.db2.gz RDACCRAHNDQZJY-MSOLQXFVSA-N 1 0 395.551 3.688 20 30 GHEDRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001306270557 1048532710 /nfs/dbraw/zinc/53/27/10/1048532710.db2.gz OJPLUEYVNGRTIO-WIYYLYMNSA-N 1 0 390.535 3.703 20 30 GHEDRO CC(C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001287178439 1048626423 /nfs/dbraw/zinc/62/64/23/1048626423.db2.gz XNMKAMWDNGQGCE-SFHVURJKSA-N 1 0 380.540 3.784 20 30 GHEDRO CC(C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001287189837 1048640352 /nfs/dbraw/zinc/64/03/52/1048640352.db2.gz RACKEKKCACXSPV-GOSISDBHSA-N 1 0 380.540 3.662 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(C#N)c(Cl)c1)Cc1ccccc12 ZINC001287331477 1048718293 /nfs/dbraw/zinc/71/82/93/1048718293.db2.gz MPOQSZQQPNWSAD-UHFFFAOYSA-N 1 0 379.891 3.831 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001287361019 1048734157 /nfs/dbraw/zinc/73/41/57/1048734157.db2.gz UPIZLPOEDNZKBS-PZJWPPBQSA-N 1 0 394.567 3.737 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001287742370 1048907697 /nfs/dbraw/zinc/90/76/97/1048907697.db2.gz NLSFMHMVRIDNGB-FQEVSTJZSA-N 1 0 398.599 3.729 20 30 GHEDRO CCC[NH+](CCC)CCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001307005444 1049005166 /nfs/dbraw/zinc/00/51/66/1049005166.db2.gz VOFSQNZHIKAMET-JOCHJYFZSA-N 1 0 397.571 3.915 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CC2)CC1 ZINC001288261363 1049020502 /nfs/dbraw/zinc/02/05/02/1049020502.db2.gz OHUAXCHQVLOZSM-UHFFFAOYSA-N 1 0 378.524 3.584 20 30 GHEDRO CCC[C@@H]1CN(c2nnc(CC)c(CC)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001307084148 1049063258 /nfs/dbraw/zinc/06/32/58/1049063258.db2.gz NWWJOJWQLFRUHG-LJQANCHMSA-N 1 0 377.536 3.964 20 30 GHEDRO C#CC[N@H+](C)CCCNc1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001307132415 1049096231 /nfs/dbraw/zinc/09/62/31/1049096231.db2.gz VTMHJGTTWKMFET-UHFFFAOYSA-N 1 0 391.544 3.999 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001288508444 1049118444 /nfs/dbraw/zinc/11/84/44/1049118444.db2.gz SSRZIYOWZZMNKL-UYAOXDASSA-N 1 0 394.567 3.979 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001288520738 1049124861 /nfs/dbraw/zinc/12/48/61/1049124861.db2.gz VUDZIQUIICFQRH-GOSISDBHSA-N 1 0 392.551 3.732 20 30 GHEDRO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(CCC#N)CC1CC1)[NH+](C)C ZINC001288606203 1049158608 /nfs/dbraw/zinc/15/86/08/1049158608.db2.gz APOIINMSFSBTMD-MRXNPFEDSA-N 1 0 392.507 3.771 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001288616127 1049161908 /nfs/dbraw/zinc/16/19/08/1049161908.db2.gz YHWASHDMIAEBQW-QFBILLFUSA-N 1 0 390.491 3.701 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCC1)C[NH+]1CCCC1 ZINC001288691122 1049200376 /nfs/dbraw/zinc/20/03/76/1049200376.db2.gz VHCUAGDWEKUMTL-SFHVURJKSA-N 1 0 392.551 3.785 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001288799316 1049229287 /nfs/dbraw/zinc/22/92/87/1049229287.db2.gz CRELCOUDCGFEIQ-LEWJYISDSA-N 1 0 377.513 3.535 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC001307549541 1049392199 /nfs/dbraw/zinc/39/21/99/1049392199.db2.gz DAHXOYCSBNXKHF-SFHVURJKSA-N 1 0 391.515 3.861 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CCO)C2CCCCC2)c1C#N ZINC001307596798 1049435681 /nfs/dbraw/zinc/43/56/81/1049435681.db2.gz IGMPCDZUBAVGJN-UHFFFAOYSA-N 1 0 394.519 3.531 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1Cl ZINC001307650014 1049477329 /nfs/dbraw/zinc/47/73/29/1049477329.db2.gz RERSUVMDRFGXDB-NRFANRHFSA-N 1 0 397.906 3.813 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC001307694184 1049511790 /nfs/dbraw/zinc/51/17/90/1049511790.db2.gz YIFQLSSQTZKMKB-MRXNPFEDSA-N 1 0 375.432 3.728 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001289531441 1049526632 /nfs/dbraw/zinc/52/66/32/1049526632.db2.gz LKIFNQAGGCRTJR-QFBILLFUSA-N 1 0 392.507 3.745 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCCC[NH+]2CCCC2)o1 ZINC001289532054 1049527450 /nfs/dbraw/zinc/52/74/50/1049527450.db2.gz RCXRNPHIGGQVDB-QGZVFWFLSA-N 1 0 384.528 3.709 20 30 GHEDRO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)CC1CCC(C#N)CC1 ZINC001307724471 1049537002 /nfs/dbraw/zinc/53/70/02/1049537002.db2.gz QSINUFMVGBPCTP-UHFFFAOYSA-N 1 0 388.313 3.792 20 30 GHEDRO Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CC[NH+]2CCCCCC2)o1 ZINC001289556021 1049538314 /nfs/dbraw/zinc/53/83/14/1049538314.db2.gz AYQUGIJUUCNSPG-UHFFFAOYSA-N 1 0 396.539 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH2+]C3(c4cccc(C#N)c4)CC3)C2)C1 ZINC001307764106 1049577436 /nfs/dbraw/zinc/57/74/36/1049577436.db2.gz URDGHOLFVAQKIY-DENIHFKCSA-N 1 0 397.519 3.553 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)C1 ZINC001307830965 1049621736 /nfs/dbraw/zinc/62/17/36/1049621736.db2.gz QNGUXNTWODUKJZ-WOJBJXKFSA-N 1 0 384.524 3.955 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1CC(=O)Nc1sccc1C#N ZINC001307964999 1049727572 /nfs/dbraw/zinc/72/75/72/1049727572.db2.gz SFAJWOINTNUOED-UHFFFAOYSA-N 1 0 396.560 3.933 20 30 GHEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1(Cc2ccccc2)CCCC1 ZINC001308059721 1049807321 /nfs/dbraw/zinc/80/73/21/1049807321.db2.gz SEWRJOQFVCOKSC-QFIPXVFZSA-N 1 0 378.516 3.980 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 ZINC001308086613 1049833392 /nfs/dbraw/zinc/83/33/92/1049833392.db2.gz XPHLUVILVDZBPC-INIZCTEOSA-N 1 0 380.517 3.712 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)c(C#N)c(C)c1)c1cccc(OC)c1 ZINC001290523466 1049870355 /nfs/dbraw/zinc/87/03/55/1049870355.db2.gz KDWJAYFHAYSFKZ-JOCHJYFZSA-N 1 0 379.504 3.997 20 30 GHEDRO C[C@@](CO)([NH2+]CC#Cc1ccccc1Cl)c1cccc(Br)c1 ZINC001308139822 1049879358 /nfs/dbraw/zinc/87/93/58/1049879358.db2.gz NOWZSQRBFYMVIL-SFHVURJKSA-N 1 0 378.697 3.951 20 30 GHEDRO C[C@H]1C[C@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291005301 1049969149 /nfs/dbraw/zinc/96/91/49/1049969149.db2.gz VFIVRQPUQGLHRA-ROUUACIJSA-N 1 0 394.567 3.887 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC001308845480 1050121350 /nfs/dbraw/zinc/12/13/50/1050121350.db2.gz IZJKHFZVUJFKNO-ZDUSSCGKSA-N 1 0 391.537 3.932 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC001308939882 1050199590 /nfs/dbraw/zinc/19/95/90/1050199590.db2.gz RLALSYVZVJIEAV-QHCPKHFHSA-N 1 0 399.535 3.700 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001309016408 1050275445 /nfs/dbraw/zinc/27/54/45/1050275445.db2.gz KMWMWLSUFNBYJV-AWEZNQCLSA-N 1 0 391.562 3.624 20 30 GHEDRO Cc1cc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)ccc1C#N ZINC001309088279 1050340310 /nfs/dbraw/zinc/34/03/10/1050340310.db2.gz QHONZRAHMOYPQJ-QFIPXVFZSA-N 1 0 397.544 3.618 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001309152901 1050406958 /nfs/dbraw/zinc/40/69/58/1050406958.db2.gz BFWSBFWJVBMPNU-GOSISDBHSA-N 1 0 399.560 3.724 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001329136368 1050730377 /nfs/dbraw/zinc/73/03/77/1050730377.db2.gz YXUZMXNENKTPAL-OAHLLOKOSA-N 1 0 391.475 3.522 20 30 GHEDRO CC[NH+](CC)CC[C@H](NS(=O)(=O)c1ccc(C)cc1C#N)c1ccccc1 ZINC001309950780 1051069227 /nfs/dbraw/zinc/06/92/27/1051069227.db2.gz GQOJEUJNHVPJCN-FQEVSTJZSA-N 1 0 385.533 3.618 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)CC1 ZINC001310365463 1051309544 /nfs/dbraw/zinc/30/95/44/1051309544.db2.gz UDAVCUFQBGUAPH-UHFFFAOYSA-N 1 0 378.476 3.710 20 30 GHEDRO C=CCC1(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)CCCC1 ZINC001310364372 1051309799 /nfs/dbraw/zinc/30/97/99/1051309799.db2.gz QOTOJAAHLUNCJN-UHFFFAOYSA-N 1 0 386.540 3.848 20 30 GHEDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC001332128388 1051462375 /nfs/dbraw/zinc/46/23/75/1051462375.db2.gz SUQOSIBRPQQOGQ-UHFFFAOYSA-N 1 0 380.492 3.653 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001310863796 1051663832 /nfs/dbraw/zinc/66/38/32/1051663832.db2.gz QYORLBIFBQXCRG-CQSZACIVSA-N 1 0 396.329 3.867 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)Nc2cccc(CC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC001311155423 1051910402 /nfs/dbraw/zinc/91/04/02/1051910402.db2.gz QQRTUGLMBMPMCK-HXUWFJFHSA-N 1 0 377.492 3.522 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(C)C ZINC001311387544 1052079163 /nfs/dbraw/zinc/07/91/63/1052079163.db2.gz FAAJNKCEZVTBSE-IPELMVKDSA-N 1 0 395.469 3.958 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001336224049 1052240150 /nfs/dbraw/zinc/24/01/50/1052240150.db2.gz SCZINAMGHKUQAT-AZKZNFPZSA-N 1 0 388.515 3.527 20 30 GHEDRO Cc1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC001311720316 1052355282 /nfs/dbraw/zinc/35/52/82/1052355282.db2.gz QJUITUZTXZOHOP-UHFFFAOYSA-N 1 0 376.504 3.503 20 30 GHEDRO CC[C@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001312866546 1052897566 /nfs/dbraw/zinc/89/75/66/1052897566.db2.gz VYEYSCJBKXFUGQ-FQEVSTJZSA-N 1 0 380.467 3.503 20 30 GHEDRO C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1ccc(Cl)cc1F ZINC001312936166 1052915331 /nfs/dbraw/zinc/91/53/31/1052915331.db2.gz DPBUTQKZWMZXHC-FQEVSTJZSA-N 1 0 387.886 3.927 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCC=CCCC3)CC2)c1 ZINC001312944565 1052917698 /nfs/dbraw/zinc/91/76/98/1052917698.db2.gz FQYBCSUHLFEIAQ-IBGZPJMESA-N 1 0 380.536 3.958 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313135321 1052965609 /nfs/dbraw/zinc/96/56/09/1052965609.db2.gz CGMCMDXVWPVKBJ-REWPJTCUSA-N 1 0 375.516 3.600 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)C(C)C ZINC001313449223 1053057786 /nfs/dbraw/zinc/05/77/86/1053057786.db2.gz WCDRGLFCTOWREZ-FQEVSTJZSA-N 1 0 380.540 3.926 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001342299673 1053086234 /nfs/dbraw/zinc/08/62/34/1053086234.db2.gz QSRGKWGBEDSAGZ-TYPHKJRUSA-N 1 0 395.551 3.805 20 30 GHEDRO C=C(C)Cn1c(-c2ncc(C)o2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342851289 1053389526 /nfs/dbraw/zinc/38/95/26/1053389526.db2.gz CGBGLWLWINHQCS-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)C[NH+](C)C ZINC001314665233 1053556505 /nfs/dbraw/zinc/55/65/05/1053556505.db2.gz MGCGAEXXYYUSSQ-UHFFFAOYSA-N 1 0 392.507 3.634 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@](C)(CC)C1 ZINC001343233773 1053638898 /nfs/dbraw/zinc/63/88/98/1053638898.db2.gz ONQKDUAHWGYVMQ-UGKGYDQZSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001343342900 1053716902 /nfs/dbraw/zinc/71/69/02/1053716902.db2.gz DIKDQZKZJLYYEC-RTWAWAEBSA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001343494909 1053810155 /nfs/dbraw/zinc/81/01/55/1053810155.db2.gz KESIEJABBONFCL-SJORKVTESA-N 1 0 381.515 3.925 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N1CCSC[C@@H]1C ZINC001343575003 1053900766 /nfs/dbraw/zinc/90/07/66/1053900766.db2.gz FBICAQDSDPCTNK-YSIASYRMSA-N 1 0 397.592 3.609 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001343716897 1053983614 /nfs/dbraw/zinc/98/36/14/1053983614.db2.gz KYIPSXKVQPWGMR-WOJBJXKFSA-N 1 0 382.556 3.574 20 30 GHEDRO Cc1cccc2[nH]c([C@H](C#N)C(=O)C=Cc3ccc(OCC[NH+](C)C)cc3)nc21 ZINC001343980736 1054157938 /nfs/dbraw/zinc/15/79/38/1054157938.db2.gz YWTZGFBCSSKDRK-VSRDTVRMSA-N 1 0 388.471 3.701 20 30 GHEDRO CC(=O)C1C(C)=NC(C(=O)C(C(=S)NCC2CCC2)[n+]2ccc(C)cc2)=C1C ZINC001318220972 1054508020 /nfs/dbraw/zinc/50/80/20/1054508020.db2.gz CIBGVVSFQPAUSX-UHFFFAOYSA-O 1 0 398.552 3.878 20 30 GHEDRO C#CCCCc1nnc(N2CCC([NH+](CC)CC)CC2)n1Cc1ccccc1 ZINC001345395546 1055020624 /nfs/dbraw/zinc/02/06/24/1055020624.db2.gz NTWRXABRYQIQTH-UHFFFAOYSA-N 1 0 379.552 3.593 20 30 GHEDRO C=CCC[C@@H](NC(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC001319313091 1055176129 /nfs/dbraw/zinc/17/61/29/1055176129.db2.gz LDRHZOAUEWPXTC-JOCHJYFZSA-N 1 0 392.547 3.945 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC001320884078 1055998242 /nfs/dbraw/zinc/99/82/42/1055998242.db2.gz NEZXBAIACAEYCF-RPCJCACASA-N 1 0 399.332 3.814 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccnc2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001300450076 1056131548 /nfs/dbraw/zinc/13/15/48/1056131548.db2.gz BXSJGSFALZXJFM-GOSISDBHSA-N 1 0 388.519 3.539 20 30 GHEDRO C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001300457423 1056164785 /nfs/dbraw/zinc/16/47/85/1056164785.db2.gz CWPGNYKXBAAKKH-RTWAWAEBSA-N 1 0 395.551 3.672 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300464348 1056188549 /nfs/dbraw/zinc/18/85/49/1056188549.db2.gz BRUKHUONKQOVNH-UHFFFAOYSA-N 1 0 399.608 3.910 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300468570 1056204989 /nfs/dbraw/zinc/20/49/89/1056204989.db2.gz DFUAMQSUNJMERC-SFHVURJKSA-N 1 0 399.970 3.712 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)(C)C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300597335 1056594879 /nfs/dbraw/zinc/59/48/79/1056594879.db2.gz DQVHSJZSHYWDNW-HXUWFJFHSA-N 1 0 379.552 3.700 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc(Cl)c1OC ZINC001322453432 1056711939 /nfs/dbraw/zinc/71/19/39/1056711939.db2.gz WSYWPNZVLXUQAS-UHFFFAOYSA-N 1 0 385.895 3.987 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1CC1CC[NH+](CCC)CC1 ZINC001300633869 1056734739 /nfs/dbraw/zinc/73/47/39/1056734739.db2.gz PDJIBLLCTCLMMP-UHFFFAOYSA-N 1 0 385.581 3.512 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300780130 1057016310 /nfs/dbraw/zinc/01/63/10/1057016310.db2.gz LDDCWVATYONVFJ-SFYKDHMMSA-N 1 0 385.600 3.936 20 30 GHEDRO CN1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001323999500 1057052514 /nfs/dbraw/zinc/05/25/14/1057052514.db2.gz MWTIECIXSFQTAL-DHIUTWEWSA-N 1 0 378.495 3.701 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(OCC#N)c1 ZINC001324056882 1057062221 /nfs/dbraw/zinc/06/22/21/1057062221.db2.gz MKPKPQSXKLTCQN-KRWDZBQOSA-N 1 0 391.471 3.534 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)cc1OC ZINC001324633771 1057184835 /nfs/dbraw/zinc/18/48/35/1057184835.db2.gz KPQGBHABXHLIOH-LJQANCHMSA-N 1 0 398.341 3.863 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001356100881 1057389160 /nfs/dbraw/zinc/38/91/60/1057389160.db2.gz OXAUQPSFYAASFX-RBUKOAKNSA-N 1 0 387.572 3.590 20 30 GHEDRO COC(=O)/C=C\c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000848910300 1057415132 /nfs/dbraw/zinc/41/51/32/1057415132.db2.gz ICBXNVLPRJQCFG-ALCCZGGFSA-N 1 0 384.407 3.520 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1Cc2cc(F)c(F)cc2C1 ZINC001356178390 1057419485 /nfs/dbraw/zinc/41/94/85/1057419485.db2.gz UKDDGPGRFMKBCT-DODVFSASSA-N 1 0 399.489 3.678 20 30 GHEDRO C=CCn1c([C@H](O)CC2CCCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001356214255 1057432421 /nfs/dbraw/zinc/43/24/21/1057432421.db2.gz BKMWQMRLNJIFIL-WOJBJXKFSA-N 1 0 389.588 3.636 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001356317640 1057471225 /nfs/dbraw/zinc/47/12/25/1057471225.db2.gz QEQKVMPLNFJCKI-UHFFFAOYSA-N 1 0 384.572 3.793 20 30 GHEDRO COc1cccc([C@@H](CNC(=[NH+]Cc2ccccc2)N(C)C)N2CCCC2)c1 ZINC000849054325 1057565000 /nfs/dbraw/zinc/56/50/00/1057565000.db2.gz FVFXBQYJRUFSMV-JOCHJYFZSA-N 1 0 380.536 3.540 20 30 GHEDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=[NH+]Cc1ccccc1)N(C)C ZINC000849056615 1057567323 /nfs/dbraw/zinc/56/73/23/1057567323.db2.gz UAZXGSAMDJBHRD-UHFFFAOYSA-N 1 0 375.520 3.756 20 30 GHEDRO c1ccc(NC(=[NH+]Cc2ccccc2N2CCOCC2)N2CCCCC2)cc1 ZINC000849071219 1057580983 /nfs/dbraw/zinc/58/09/83/1057580983.db2.gz WCWUGVJNYLNCJN-UHFFFAOYSA-N 1 0 378.520 3.977 20 30 GHEDRO C=CCn1c(-c2ccc(C)nc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001338800075 1058793659 /nfs/dbraw/zinc/79/36/59/1058793659.db2.gz ZZPOXXKGSZYLBY-GHTZIAJQSA-N 1 0 392.551 3.596 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001338867970 1058842372 /nfs/dbraw/zinc/84/23/72/1058842372.db2.gz QYRXBDNKUIKMDI-RBUKOAKNSA-N 1 0 378.524 3.582 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1cc(C#N)ccc1C)[NH+]1CCCCC1 ZINC001441883426 1058879739 /nfs/dbraw/zinc/87/97/39/1058879739.db2.gz LLBZPLHZFBYFGI-NRFANRHFSA-N 1 0 377.488 3.832 20 30 GHEDRO CC(C)(C)CN(CCC#N)C(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443645745 1059166340 /nfs/dbraw/zinc/16/63/40/1059166340.db2.gz JXKXZVXLAAGLHC-UHFFFAOYSA-N 1 0 390.959 3.640 20 30 GHEDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc(Br)cc1C#N ZINC001339881928 1059534112 /nfs/dbraw/zinc/53/41/12/1059534112.db2.gz PQYQPZMPPKKCMA-UHFFFAOYSA-N 1 0 378.314 3.659 20 30 GHEDRO CC(C)[C@H]1CN(c2nnc([C@@H](C)CCC#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC001340074647 1059672147 /nfs/dbraw/zinc/67/21/47/1059672147.db2.gz UFVVRCPHUSYIOL-AZUAARDMSA-N 1 0 380.540 3.569 20 30 GHEDRO CC[C@H](Cn1c(C2CCC2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001545984121 1059751464 /nfs/dbraw/zinc/75/14/64/1059751464.db2.gz DHKPYVUREAUWAA-OAQYLSRUSA-N 1 0 392.551 3.928 20 30 GHEDRO CCn1c(CCCC#N)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001340295584 1059835247 /nfs/dbraw/zinc/83/52/47/1059835247.db2.gz WAEBCEBMOUQFMA-AZUAARDMSA-N 1 0 380.540 3.634 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340390950 1059907767 /nfs/dbraw/zinc/90/77/67/1059907767.db2.gz VIWJVWKSBZQAPO-TZIWHRDSSA-N 1 0 377.536 3.893 20 30 GHEDRO C=CCn1c([C@H](CC)[C@@H](O)c2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001340414110 1059919067 /nfs/dbraw/zinc/91/90/67/1059919067.db2.gz FQLUDSWPQKYPPI-RTWAWAEBSA-N 1 0 397.567 3.612 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC001340567814 1059978451 /nfs/dbraw/zinc/97/84/51/1059978451.db2.gz JXFJBHWRJNEMFS-HXUWFJFHSA-N 1 0 395.551 3.666 20 30 GHEDRO C=CCn1c(-c2ccc3cccnc3c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340598658 1059990604 /nfs/dbraw/zinc/99/06/04/1059990604.db2.gz GTJXKISPIFBSKK-UHFFFAOYSA-N 1 0 376.508 3.646 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001340641609 1060012757 /nfs/dbraw/zinc/01/27/57/1060012757.db2.gz OXKMJNXPMAEKKL-RDJZCZTQSA-N 1 0 379.499 3.678 20 30 GHEDRO CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001546004118 1060144837 /nfs/dbraw/zinc/14/48/37/1060144837.db2.gz WQPQXOXBPVFQKO-IBGZPJMESA-N 1 0 398.580 3.545 20 30 GHEDRO CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001546006678 1060196685 /nfs/dbraw/zinc/19/66/85/1060196685.db2.gz YTIOVZRKZOUJNP-HXUWFJFHSA-N 1 0 384.572 3.625 20 30 GHEDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC001341011316 1060327952 /nfs/dbraw/zinc/32/79/52/1060327952.db2.gz ISLLXZVEDNIZTF-UHFFFAOYSA-N 1 0 382.533 3.541 20 30 GHEDRO CCn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001341034483 1060345269 /nfs/dbraw/zinc/34/52/69/1060345269.db2.gz AZCNZFOMRFFTOL-QGZVFWFLSA-N 1 0 386.503 3.883 20 30 GHEDRO CCN(c1nnc(CCCC#N)n1CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001341186599 1060478992 /nfs/dbraw/zinc/47/89/92/1060478992.db2.gz LRJNYXMWNFAGJC-ICSRJNTNSA-N 1 0 380.540 3.806 20 30 GHEDRO C=CCCC[C@@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001450061757 1060517634 /nfs/dbraw/zinc/51/76/34/1060517634.db2.gz HIFWXFFYASLHDR-DNQXCXABSA-N 1 0 392.543 3.662 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001341756315 1060865495 /nfs/dbraw/zinc/86/54/95/1060865495.db2.gz SBOUUCBNTPCSOQ-UHFFFAOYSA-N 1 0 387.572 3.591 20 30 GHEDRO CC[N@H+](Cc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1)C(C)C ZINC001341932079 1060956590 /nfs/dbraw/zinc/95/65/90/1060956590.db2.gz YZVVUNFLLNUNPM-IBGZPJMESA-N 1 0 387.487 3.932 20 30 GHEDRO C=C(C)Cn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@]1(C)CCC=CO1 ZINC001341930723 1060956619 /nfs/dbraw/zinc/95/66/19/1060956619.db2.gz GXXDOQGBMGAYTR-NRFANRHFSA-N 1 0 397.527 3.600 20 30 GHEDRO CC(C)(C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2)c1ccc(C#N)cc1 ZINC001341962812 1060971877 /nfs/dbraw/zinc/97/18/77/1060971877.db2.gz ASSSUQOQAWSABI-HXUWFJFHSA-N 1 0 389.499 3.680 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001341969053 1060976226 /nfs/dbraw/zinc/97/62/26/1060976226.db2.gz KTHHDWWNSVUYQB-ZDUSSCGKSA-N 1 0 393.112 3.783 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(=O)[nH]c2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001342020925 1061000348 /nfs/dbraw/zinc/00/03/48/1061000348.db2.gz LAAKPOSLRIDOMJ-UHFFFAOYSA-N 1 0 398.555 3.570 20 30 GHEDRO C=C(C)Cn1c([C@@H](OC)C2CC2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001345933579 1061211896 /nfs/dbraw/zinc/21/18/96/1061211896.db2.gz CIMAZYHLNMSYAR-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@@H](C)CCC#N)n2Cc2cccs2)CC1 ZINC001346087095 1061351662 /nfs/dbraw/zinc/35/16/62/1061351662.db2.gz ZVVUIKMRIUPDDQ-DLBZAZTESA-N 1 0 386.569 3.716 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(c2nnc([C@H](C)CCC#N)n2Cc2cccs2)CC1 ZINC001346087101 1061351706 /nfs/dbraw/zinc/35/17/06/1061351706.db2.gz ZVVUIKMRIUPDDQ-SJORKVTESA-N 1 0 386.569 3.716 20 30 GHEDRO C=C(C)Cn1c(-c2cocn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001346315298 1061512572 /nfs/dbraw/zinc/51/25/72/1061512572.db2.gz ICAWNJAWERQIOD-UHFFFAOYSA-N 1 0 384.528 3.602 20 30 GHEDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C[C@@]2(C)C1 ZINC001454289358 1061700623 /nfs/dbraw/zinc/70/06/23/1061700623.db2.gz XADBIVISMCOKDR-DNQXCXABSA-N 1 0 389.499 3.551 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001346693078 1061797431 /nfs/dbraw/zinc/79/74/31/1061797431.db2.gz YGJHCGRZWFXGFB-UHFFFAOYSA-N 1 0 381.615 3.501 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NOc1cccc(C#N)c1 ZINC001454682288 1061908958 /nfs/dbraw/zinc/90/89/58/1061908958.db2.gz LMUYPIVGSVXADD-KRWDZBQOSA-N 1 0 379.460 3.535 20 30 GHEDRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C(C)C)C1 ZINC001546066089 1061952653 /nfs/dbraw/zinc/95/26/53/1061952653.db2.gz GSZROWSNQLXBGB-QFIPXVFZSA-N 1 0 380.540 3.783 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001455019391 1061980182 /nfs/dbraw/zinc/98/01/82/1061980182.db2.gz ZJZQYUGVVGTRTR-IBGZPJMESA-N 1 0 388.471 3.563 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001435318020 1062504935 /nfs/dbraw/zinc/50/49/35/1062504935.db2.gz DGEIZNPDOMHMCS-UHFFFAOYSA-N 1 0 392.503 3.578 20 30 GHEDRO Cc1cc(NC(=O)c2csc(C#N)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001348094577 1062915784 /nfs/dbraw/zinc/91/57/84/1062915784.db2.gz NMNGYAZJUDLKCV-GOSISDBHSA-N 1 0 391.500 3.824 20 30 GHEDRO C[C@H]1CCC[C@](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)([NH+](C)C)C1 ZINC001458125140 1063583552 /nfs/dbraw/zinc/58/35/52/1063583552.db2.gz ZYQMDXRXTSWARZ-YUNKPMOVSA-N 1 0 376.426 3.868 20 30 GHEDRO N#CCc1ccsc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001458248340 1063694126 /nfs/dbraw/zinc/69/41/26/1063694126.db2.gz VYMJDUWSQWMJLE-XUVXKRRUSA-N 1 0 379.529 3.845 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001458413293 1063790056 /nfs/dbraw/zinc/79/00/56/1063790056.db2.gz LTUOPFDWHGBMAL-KRWDZBQOSA-N 1 0 379.464 3.763 20 30 GHEDRO C=CC[C@H](C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC001437386502 1063842126 /nfs/dbraw/zinc/84/21/26/1063842126.db2.gz XREZJZHTYJJZRM-VXNXHJTFSA-N 1 0 390.527 3.848 20 30 GHEDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001349870128 1063930366 /nfs/dbraw/zinc/93/03/66/1063930366.db2.gz SAXWWJHNTYKKML-GOSISDBHSA-N 1 0 379.504 3.987 20 30 GHEDRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC001350101237 1063989999 /nfs/dbraw/zinc/98/99/99/1063989999.db2.gz ZKDLDYBDJMISBV-IBGZPJMESA-N 1 0 376.504 3.845 20 30 GHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CCS(=O)(=O)c1cccc(C#N)c1 ZINC001459552399 1064124996 /nfs/dbraw/zinc/12/49/96/1064124996.db2.gz VFYJGDNTUCZARP-OAQYLSRUSA-N 1 0 384.545 3.984 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC001459742629 1064196619 /nfs/dbraw/zinc/19/66/19/1064196619.db2.gz OHPBMBZVZSKMKZ-UHFFFAOYSA-N 1 0 393.874 3.720 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)CC2(O)CCCC2)cc1Cl ZINC001459759956 1064203924 /nfs/dbraw/zinc/20/39/24/1064203924.db2.gz JHQVARRPGCDBBD-UHFFFAOYSA-N 1 0 397.906 3.957 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001351993051 1064750839 /nfs/dbraw/zinc/75/08/39/1064750839.db2.gz PKEMQLFFURVRTQ-ZWKOTPCHSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001351993049 1064751137 /nfs/dbraw/zinc/75/11/37/1064751137.db2.gz PKEMQLFFURVRTQ-ROUUACIJSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001463987947 1064755804 /nfs/dbraw/zinc/75/58/04/1064755804.db2.gz TWUOMUUNWCSUOO-CMQXMCPJSA-N 1 0 386.536 3.900 20 30 GHEDRO CCn1c(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nnc1C(C)(C)CC#N ZINC001352638100 1065196253 /nfs/dbraw/zinc/19/62/53/1065196253.db2.gz STQUFFJJXACDBY-GOSISDBHSA-N 1 0 386.588 3.970 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(N(C)C)c2ccccc2n1)C(C)C ZINC001464874402 1065255135 /nfs/dbraw/zinc/25/51/35/1065255135.db2.gz ZWFUTLYXXIAGPI-QFIPXVFZSA-N 1 0 380.536 3.729 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)cc1 ZINC001465398920 1065587405 /nfs/dbraw/zinc/58/74/05/1065587405.db2.gz QDLSHAVNUWOQFS-NRFANRHFSA-N 1 0 398.551 3.695 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001465431632 1065608334 /nfs/dbraw/zinc/60/83/34/1065608334.db2.gz OQLAVEPGJMWSDY-UHFFFAOYSA-N 1 0 379.464 3.695 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001492557583 1065667343 /nfs/dbraw/zinc/66/73/43/1065667343.db2.gz PILCSRZHUPLAMI-FXAWDEMLSA-N 1 0 392.551 3.866 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC001465628280 1065756092 /nfs/dbraw/zinc/75/60/92/1065756092.db2.gz DLVWFYNMWNYPLG-IBGZPJMESA-N 1 0 377.488 3.684 20 30 GHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001465730511 1065815496 /nfs/dbraw/zinc/81/54/96/1065815496.db2.gz YSDDMFBQMWDPQV-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO CCCCCCCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC001465764769 1065840046 /nfs/dbraw/zinc/84/00/46/1065840046.db2.gz KUTPWGDQLCWAMO-UHFFFAOYSA-N 1 0 376.545 3.929 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001492562485 1065856306 /nfs/dbraw/zinc/85/63/06/1065856306.db2.gz URYNPVROHCNCSN-UHFFFAOYSA-N 1 0 392.551 3.868 20 30 GHEDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC001465889081 1065911463 /nfs/dbraw/zinc/91/14/63/1065911463.db2.gz KEVSJDSSGFGYKA-IBGZPJMESA-N 1 0 385.899 3.702 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cnc(Br)cc1C)C(C)C ZINC001465920742 1065923245 /nfs/dbraw/zinc/92/32/45/1065923245.db2.gz REMAXKIRVUBHDJ-MRXNPFEDSA-N 1 0 395.345 3.973 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300293171 1065941081 /nfs/dbraw/zinc/94/10/81/1065941081.db2.gz OREITICWSAWMPM-UYAOXDASSA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC[NH+](C(C)C)C(C)C ZINC001300313498 1065972982 /nfs/dbraw/zinc/97/29/82/1065972982.db2.gz JQGZXYXWBQJZEP-SFHVURJKSA-N 1 0 385.531 3.585 20 30 GHEDRO C[C@@H](Oc1ccccc1F)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745311 1066013702 /nfs/dbraw/zinc/01/37/02/1066013702.db2.gz GBONXXYIYCPWSJ-GOSISDBHSA-N 1 0 396.462 3.942 20 30 GHEDRO Cn1cnc2cc(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000847747473 1066022426 /nfs/dbraw/zinc/02/24/26/1066022426.db2.gz JITKQADLNMTGCU-UHFFFAOYSA-N 1 0 388.471 3.536 20 30 GHEDRO Cc1nc(CCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000847748486 1066029834 /nfs/dbraw/zinc/02/98/34/1066029834.db2.gz AJTLJNQJZFPIQQ-UHFFFAOYSA-N 1 0 383.517 3.733 20 30 GHEDRO Cc1noc(C2CC2)c1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747739 1066033326 /nfs/dbraw/zinc/03/33/26/1066033326.db2.gz PESPGLIPULVFIX-UHFFFAOYSA-N 1 0 379.460 3.823 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001466207186 1066034651 /nfs/dbraw/zinc/03/46/51/1066034651.db2.gz CJAVLDUPDOQMNK-OALUTQOASA-N 1 0 391.515 3.977 20 30 GHEDRO N#CC1(COC(=O)CCCOc2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847749474 1066035903 /nfs/dbraw/zinc/03/59/03/1066035903.db2.gz QVOGRAXYXNFQSX-UHFFFAOYSA-N 1 0 393.487 3.590 20 30 GHEDRO CC(C)Oc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000847749707 1066042730 /nfs/dbraw/zinc/04/27/30/1066042730.db2.gz ZCIZQAXFBYUZPF-UHFFFAOYSA-N 1 0 393.487 3.832 20 30 GHEDRO C#CCCCCn1c(-c2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300353313 1066080722 /nfs/dbraw/zinc/08/07/22/1066080722.db2.gz IPSCGHCRDMXYNS-UHFFFAOYSA-N 1 0 394.567 3.702 20 30 GHEDRO C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001300386522 1066154543 /nfs/dbraw/zinc/15/45/43/1066154543.db2.gz QFTTXMNDOSKIEO-VQIMIIECSA-N 1 0 383.927 3.685 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cc(C#N)ccc1F ZINC001466788421 1066316245 /nfs/dbraw/zinc/31/62/45/1066316245.db2.gz HURNSVGBRIRBST-JIPZTSHUSA-N 1 0 380.467 3.975 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(C#N)n2)C1 ZINC001466941001 1066404166 /nfs/dbraw/zinc/40/41/66/1066404166.db2.gz KLQFJIXHECLCGX-CALCHBBNSA-N 1 0 377.492 3.753 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001467004546 1066440980 /nfs/dbraw/zinc/44/09/80/1066440980.db2.gz WUSNPRYCSAIXDA-ROUUACIJSA-N 1 0 391.475 3.802 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467196127 1067142091 /nfs/dbraw/zinc/14/20/91/1067142091.db2.gz WRRRKVIXKAGRIP-IRXDYDNUSA-N 1 0 382.430 3.725 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001357621172 1067200761 /nfs/dbraw/zinc/20/07/61/1067200761.db2.gz UBLUIFGXZOSLFK-DKXQDJALSA-N 1 0 376.504 3.539 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358029542 1067370612 /nfs/dbraw/zinc/37/06/12/1067370612.db2.gz QFPHYFMJKLLOPY-QGZVFWFLSA-N 1 0 394.494 3.557 20 30 GHEDRO CC(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001358038466 1067374639 /nfs/dbraw/zinc/37/46/39/1067374639.db2.gz ZZSFUWVIHTXMAZ-QFIPXVFZSA-N 1 0 384.572 3.626 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)C(C)C ZINC001467660368 1067404732 /nfs/dbraw/zinc/40/47/32/1067404732.db2.gz OCVVJSUKWPTMOJ-OYNPSCLESA-N 1 0 387.955 3.976 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 ZINC001467674756 1067412040 /nfs/dbraw/zinc/41/20/40/1067412040.db2.gz AUBZAUQYQWQEDF-BHDDXSALSA-N 1 0 382.552 3.978 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001467729086 1067439975 /nfs/dbraw/zinc/43/99/75/1067439975.db2.gz YUSKCOQWLOFUMW-LJQANCHMSA-N 1 0 395.588 3.816 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)C)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001358871733 1067588820 /nfs/dbraw/zinc/58/88/20/1067588820.db2.gz JNNGYSGCEXBWNK-LJQANCHMSA-N 1 0 379.552 3.894 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358884316 1067595929 /nfs/dbraw/zinc/59/59/29/1067595929.db2.gz NKHBYOJXMHEAPR-AEFFLSMTSA-N 1 0 394.548 3.630 20 30 GHEDRO C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001358920916 1067613574 /nfs/dbraw/zinc/61/35/74/1067613574.db2.gz KRXPUMPMJSKQDC-NRFANRHFSA-N 1 0 379.552 3.764 20 30 GHEDRO C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001358923449 1067614671 /nfs/dbraw/zinc/61/46/71/1067614671.db2.gz OCRQNNYLJNPXKA-IRXDYDNUSA-N 1 0 385.943 3.931 20 30 GHEDRO C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001358923467 1067614764 /nfs/dbraw/zinc/61/47/64/1067614764.db2.gz PGANTHOZPKAHSC-UHFFFAOYSA-N 1 0 377.536 3.595 20 30 GHEDRO C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001358933280 1067618691 /nfs/dbraw/zinc/61/86/91/1067618691.db2.gz NOKGYIWTMGZRIE-UHFFFAOYSA-N 1 0 393.579 3.787 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001358943805 1067624429 /nfs/dbraw/zinc/62/44/29/1067624429.db2.gz WRZBKBFLSKYZMY-LJQANCHMSA-N 1 0 395.551 3.535 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359005382 1067647314 /nfs/dbraw/zinc/64/73/14/1067647314.db2.gz GNCOMCLNZDLSOP-KRWDZBQOSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359015044 1067654288 /nfs/dbraw/zinc/65/42/88/1067654288.db2.gz GBRSYQVNFNUMEX-KRWDZBQOSA-N 1 0 397.542 3.837 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001359065141 1067667949 /nfs/dbraw/zinc/66/79/49/1067667949.db2.gz JLFPIYGPUSMHMJ-HSZRJFAPSA-N 1 0 377.536 3.613 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359166924 1067720781 /nfs/dbraw/zinc/72/07/81/1067720781.db2.gz MIAHGIGAEJAPHT-FQEVSTJZSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)CCCC)CC1 ZINC001359178582 1067738405 /nfs/dbraw/zinc/73/84/05/1067738405.db2.gz WHRSMMRCNZUELX-LJQANCHMSA-N 1 0 375.561 3.654 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359186257 1067749971 /nfs/dbraw/zinc/74/99/71/1067749971.db2.gz ZQKMZVDKDHNVSG-ROUUACIJSA-N 1 0 384.572 3.805 20 30 GHEDRO C=CCCCn1c(-c2cccn2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359212864 1067787407 /nfs/dbraw/zinc/78/74/07/1067787407.db2.gz AEKWOBIAFCTOFT-UHFFFAOYSA-N 1 0 396.583 3.952 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359231733 1067833165 /nfs/dbraw/zinc/83/31/65/1067833165.db2.gz DNLSSKTXHGBTNC-IRXDYDNUSA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359233846 1067836633 /nfs/dbraw/zinc/83/66/33/1067836633.db2.gz SVBKCCNPWKKJOM-SJORKVTESA-N 1 0 398.511 3.596 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCOC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359239867 1067848014 /nfs/dbraw/zinc/84/80/14/1067848014.db2.gz ZFVVFSODKIKHNN-QUCCMNQESA-N 1 0 397.567 3.924 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359244958 1067863172 /nfs/dbraw/zinc/86/31/72/1067863172.db2.gz WOYLALHADZRRDZ-KRWDZBQOSA-N 1 0 385.581 3.984 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CC=CCC1 ZINC001359264561 1067927587 /nfs/dbraw/zinc/92/75/87/1067927587.db2.gz IGSPHLHZMNHZJN-LJQANCHMSA-N 1 0 399.564 3.646 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359269719 1067935445 /nfs/dbraw/zinc/93/54/45/1067935445.db2.gz MVRMFUMNLPPQGX-RTBURBONSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001359313719 1068027327 /nfs/dbraw/zinc/02/73/27/1068027327.db2.gz QKUVFVDMGWIGCR-XUVXKRRUSA-N 1 0 389.588 3.837 20 30 GHEDRO CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCc1ccc(C#N)s1 ZINC001477946713 1078640955 /nfs/dbraw/zinc/64/09/55/1078640955.db2.gz BSXCAHGHLMTXJW-UHFFFAOYSA-N 1 0 394.500 3.844 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359475493 1068070304 /nfs/dbraw/zinc/07/03/04/1068070304.db2.gz LSDOVNMJZMBIBX-RTBURBONSA-N 1 0 386.588 3.871 20 30 GHEDRO CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](C)[NH+](C)C ZINC001359690346 1068135382 /nfs/dbraw/zinc/13/53/82/1068135382.db2.gz GQRRARLGPDIPKM-KRWDZBQOSA-N 1 0 378.524 3.517 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C2CCC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001360477185 1068523787 /nfs/dbraw/zinc/52/37/87/1068523787.db2.gz WVQGHNWDXQQSHC-MRXNPFEDSA-N 1 0 384.503 3.555 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC001470350715 1068692891 /nfs/dbraw/zinc/69/28/91/1068692891.db2.gz CJHZFLMDIVGOCN-UHFFFAOYSA-N 1 0 394.544 3.896 20 30 GHEDRO C=CCCO[C@H](C)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951500 1068709443 /nfs/dbraw/zinc/70/94/43/1068709443.db2.gz ACRBSCLZOXYXDJ-IEBWSBKVSA-N 1 0 398.469 3.881 20 30 GHEDRO C=CCCC[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC001460145144 1068810853 /nfs/dbraw/zinc/81/08/53/1068810853.db2.gz INGXSYKBNFVMKT-HSZRJFAPSA-N 1 0 377.532 3.628 20 30 GHEDRO Cc1c(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)oc2c1cccc2C ZINC001460333878 1068930407 /nfs/dbraw/zinc/93/04/07/1068930407.db2.gz HWBOXKXPYWRQAM-LJQANCHMSA-N 1 0 378.472 3.987 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001460340227 1068933079 /nfs/dbraw/zinc/93/30/79/1068933079.db2.gz JSPRKGHURQKLTL-OALUTQOASA-N 1 0 391.515 3.992 20 30 GHEDRO CCC1([NH+](C)C)CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC001460574902 1069004301 /nfs/dbraw/zinc/00/43/01/1069004301.db2.gz GAKZUOVIRCICEA-FQEVSTJZSA-N 1 0 384.568 3.745 20 30 GHEDRO C#CCC1([NH2+]C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CCCCC1 ZINC001460827191 1069204624 /nfs/dbraw/zinc/20/46/24/1069204624.db2.gz FYFHAXXMMYMUFH-WIYYLYMNSA-N 1 0 376.541 3.718 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001478495347 1078893427 /nfs/dbraw/zinc/89/34/27/1078893427.db2.gz VERRLHZZDLUMJB-QHCPKHFHSA-N 1 0 390.531 3.653 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001470423869 1072544957 /nfs/dbraw/zinc/54/49/57/1072544957.db2.gz ADMWLSGULPSXBD-HSZRJFAPSA-N 1 0 390.531 3.702 20 30 GHEDRO C[C@]12CN(C(=O)c3ccc(C#N)cc3F)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001470776871 1072732461 /nfs/dbraw/zinc/73/24/61/1072732461.db2.gz MVPFDLOQTICBEJ-GOTSBHOMSA-N 1 0 377.463 3.682 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001478766278 1078979923 /nfs/dbraw/zinc/97/99/23/1078979923.db2.gz NRFLGSHBHJXGLS-AVRDEDQJSA-N 1 0 388.515 3.900 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001472551549 1073547849 /nfs/dbraw/zinc/54/78/49/1073547849.db2.gz UBZTUSCKHAPXFK-QFIPXVFZSA-N 1 0 394.563 3.690 20 30 GHEDRO Cc1cc(Nc2ccc([N+](=O)[O-])c(N)c2C#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001472756850 1073652732 /nfs/dbraw/zinc/65/27/32/1073652732.db2.gz LJBWPXIFLCUEGU-UHFFFAOYSA-N 1 0 394.479 3.631 20 30 GHEDRO Cc1cc(C#N)nc(N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)n1 ZINC001472789815 1073666479 /nfs/dbraw/zinc/66/64/79/1073666479.db2.gz FHEIRAQPXGTAFX-QFIPXVFZSA-N 1 0 377.536 3.826 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C2(CCCCC2)C1 ZINC001473241847 1073883542 /nfs/dbraw/zinc/88/35/42/1073883542.db2.gz XFRFERVBGIPLOE-SFHVURJKSA-N 1 0 391.556 3.687 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC001473311665 1073915951 /nfs/dbraw/zinc/91/59/51/1073915951.db2.gz QGPXKABETCTYFB-UHFFFAOYSA-N 1 0 388.467 3.557 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC001473416940 1073955431 /nfs/dbraw/zinc/95/54/31/1073955431.db2.gz WAUZIKYYCLVIBL-QHCPKHFHSA-N 1 0 389.543 3.887 20 30 GHEDRO N#Cc1cccc(OCC[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1 ZINC001473545969 1074010654 /nfs/dbraw/zinc/01/06/54/1074010654.db2.gz VKMWELLTVKCXHF-VQTJNVASSA-N 1 0 389.421 3.557 20 30 GHEDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](C[C@H](O)c2cccc(C#N)c2)[C@H]1C ZINC001473595032 1074037991 /nfs/dbraw/zinc/03/79/91/1074037991.db2.gz MUCBPJCOMJXICI-GJJHYRHESA-N 1 0 387.524 3.605 20 30 GHEDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001473735014 1074115597 /nfs/dbraw/zinc/11/55/97/1074115597.db2.gz NWRFJYVVDRNYLW-AWEZNQCLSA-N 1 0 377.404 3.752 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC001473782346 1074140145 /nfs/dbraw/zinc/14/01/45/1074140145.db2.gz PCDTYIGKBJTVOR-RVKKMQEKSA-N 1 0 387.549 3.717 20 30 GHEDRO C#CCN(C[C@H]1CCCC[N@H+]1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473797288 1074146996 /nfs/dbraw/zinc/14/69/96/1074146996.db2.gz NGRZZNCWNQWRDP-HXUWFJFHSA-N 1 0 377.573 3.584 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)cc1 ZINC001473805380 1074152325 /nfs/dbraw/zinc/15/23/25/1074152325.db2.gz FJYACOXBLGVVNC-MRXNPFEDSA-N 1 0 380.517 3.712 20 30 GHEDRO C#C[C@H]1CCCC[N@H+]1CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001473868180 1074182400 /nfs/dbraw/zinc/18/24/00/1074182400.db2.gz KZABRIHWFNWJND-GMAHTHKFSA-N 1 0 396.556 3.892 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)C1CC1 ZINC001474096974 1074262429 /nfs/dbraw/zinc/26/24/29/1074262429.db2.gz HAIUBVAYLWQBAN-MRXNPFEDSA-N 1 0 394.313 3.714 20 30 GHEDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(F)c1C#N ZINC001474652657 1074500146 /nfs/dbraw/zinc/50/01/46/1074500146.db2.gz PVEVYFUBFKPIGH-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c1 ZINC001474656710 1074502802 /nfs/dbraw/zinc/50/28/02/1074502802.db2.gz MWHJGBQHXMINIM-GOSISDBHSA-N 1 0 376.504 3.842 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc(CC#N)cc1 ZINC001475838129 1075031772 /nfs/dbraw/zinc/03/17/72/1075031772.db2.gz FGQFDJWAINTHPO-UHFFFAOYSA-N 1 0 380.492 3.795 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001476223994 1075106335 /nfs/dbraw/zinc/10/63/35/1075106335.db2.gz NQOMKXLVAFARBJ-NRFANRHFSA-N 1 0 395.478 3.870 20 30 GHEDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001620624650 1126241762 /nfs/dbraw/zinc/24/17/62/1126241762.db2.gz BEAVHOIKMDLPME-IBGZPJMESA-N 1 0 380.822 3.896 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)Cc2ccccc2C)cc1OC ZINC001657799887 1126261153 /nfs/dbraw/zinc/26/11/53/1126261153.db2.gz OKAFNIJPEGIJPM-SFHVURJKSA-N 1 0 375.896 3.915 20 30 GHEDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000833598542 605165966 /nfs/dbraw/zinc/16/59/66/605165966.db2.gz YHADPVRLWWEXOD-NQSCKRDGSA-N 1 0 377.488 3.574 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1Cl ZINC001164387920 718814093 /nfs/dbraw/zinc/81/40/93/718814093.db2.gz JZCOOQXYTPHGKI-CYBMUJFWSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001164387154 718814742 /nfs/dbraw/zinc/81/47/42/718814742.db2.gz DLDVHCOAZFVDBQ-ZDUSSCGKSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414718 718880951 /nfs/dbraw/zinc/88/09/51/718880951.db2.gz WOAGCNGMGJUOCS-LBPRGKRZSA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1cc(Cl)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698456 719896375 /nfs/dbraw/zinc/89/63/75/719896375.db2.gz UEPJYAFJQNHYQO-UHFFFAOYSA-N 1 0 388.924 3.540 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726353 720444214 /nfs/dbraw/zinc/44/42/14/720444214.db2.gz BTOASTINUCTJJQ-PMACEKPBSA-N 1 0 387.512 3.930 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164843404 720682993 /nfs/dbraw/zinc/68/29/93/720682993.db2.gz PSONLJBWGOSEQH-FQEVSTJZSA-N 1 0 396.922 3.867 20 30 GHEDRO N#Cc1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164905786 721528035 /nfs/dbraw/zinc/52/80/35/721528035.db2.gz IEOJMLQTLIKIOP-FPOVZHCZSA-N 1 0 388.446 3.587 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4[nH]c(C#N)cc4n3)C[C@@H]21 ZINC001165024482 721822016 /nfs/dbraw/zinc/82/20/16/721822016.db2.gz KEGQMANBJOJSAV-XWFZLUIHSA-N 1 0 386.503 3.566 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4[nH]c(C#N)cc4n3)C[C@H]21 ZINC001165024476 721822142 /nfs/dbraw/zinc/82/21/42/721822142.db2.gz KEGQMANBJOJSAV-DKZVUGQWSA-N 1 0 386.503 3.566 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000180640631 837429038 /nfs/dbraw/zinc/42/90/38/837429038.db2.gz UNLHIBSSZMAVSD-QGZVFWFLSA-N 1 0 385.851 3.662 20 30 GHEDRO CCOc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000176557084 837439017 /nfs/dbraw/zinc/43/90/17/837439017.db2.gz RWLMMLIHZDLKRB-UHFFFAOYSA-N 1 0 386.418 3.803 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)N2CCCCCC2)ccc1OC ZINC000180809745 837585398 /nfs/dbraw/zinc/58/53/98/837585398.db2.gz FHEFHMJIQMMSLK-IEBWSBKVSA-N 1 0 387.524 3.647 20 30 GHEDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3ccc(C#N)s3)n2)ccc1O ZINC000176969611 837686861 /nfs/dbraw/zinc/68/68/61/837686861.db2.gz BXBQCNFOFNPZRY-UHFFFAOYSA-N 1 0 398.488 3.887 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176811983 837750186 /nfs/dbraw/zinc/75/01/86/837750186.db2.gz IUZPJZBZONIYNC-UHFFFAOYSA-N 1 0 394.475 3.950 20 30 GHEDRO C[C@H]1CCN(C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000579704570 834416639 /nfs/dbraw/zinc/41/66/39/834416639.db2.gz DNNUNSHHJKDHRV-IBGZPJMESA-N 1 0 376.504 3.559 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c(C)c1OC ZINC000558153626 834664005 /nfs/dbraw/zinc/66/40/05/834664005.db2.gz NNCGPLAVTAUHEE-ZDUSSCGKSA-N 1 0 387.505 3.852 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)nc1 ZINC000430165449 834720446 /nfs/dbraw/zinc/72/04/46/834720446.db2.gz PYXDCJFNOKNOQA-OAQYLSRUSA-N 1 0 395.466 3.945 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000583635673 834781829 /nfs/dbraw/zinc/78/18/29/834781829.db2.gz QITNUDQGXFZKLE-SFHVURJKSA-N 1 0 381.907 3.705 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(Cl)cc4c3OCC4)CC2)cc1 ZINC000542130806 837808225 /nfs/dbraw/zinc/80/82/25/837808225.db2.gz SJVGPAKJNKMEJH-UHFFFAOYSA-N 1 0 381.907 3.854 20 30 GHEDRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000329332254 834850300 /nfs/dbraw/zinc/85/03/00/834850300.db2.gz WOBCKYGSOWKWFX-MAUKXSAKSA-N 1 0 375.538 3.862 20 30 GHEDRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000329332255 834850581 /nfs/dbraw/zinc/85/05/81/834850581.db2.gz WOBCKYGSOWKWFX-QAPCUYQASA-N 1 0 375.538 3.862 20 30 GHEDRO CCCc1c(NC(=O)N2CCC(CC[NH2+]C)CC2)cnn1-c1cccc(C#N)c1 ZINC000415580149 837816990 /nfs/dbraw/zinc/81/69/90/837816990.db2.gz RAECHQCJRVCKPL-UHFFFAOYSA-N 1 0 394.523 3.550 20 30 GHEDRO Cc1cc(C)cc(NC(=O)CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000060113007 834901084 /nfs/dbraw/zinc/90/10/84/834901084.db2.gz JNYFGAUHWPAIMV-UHFFFAOYSA-N 1 0 394.519 3.565 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246500714 834903472 /nfs/dbraw/zinc/90/34/72/834903472.db2.gz HRPMDDBUQKNFIK-UEXGIBASSA-N 1 0 387.593 3.600 20 30 GHEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000246507093 834918596 /nfs/dbraw/zinc/91/85/96/834918596.db2.gz SYKWQCODGYHSJG-ZIFCJYIRSA-N 1 0 396.453 3.510 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)c2c(F)cc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000510086049 835039981 /nfs/dbraw/zinc/03/99/81/835039981.db2.gz OOSAFHJJYGEWDY-WBVHZDCISA-N 1 0 383.442 3.867 20 30 GHEDRO N#CCCN(C(=O)CN[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000611938698 835084029 /nfs/dbraw/zinc/08/40/29/835084029.db2.gz UCOXWJXSHHPOKS-QHCPKHFHSA-N 1 0 390.531 3.750 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000579821217 835143294 /nfs/dbraw/zinc/14/32/94/835143294.db2.gz JOOCDCRTTWQRIW-UHFFFAOYSA-N 1 0 382.407 3.531 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000685544222 835144851 /nfs/dbraw/zinc/14/48/51/835144851.db2.gz XHPAYFJDAYYZCR-UHFFFAOYSA-N 1 0 379.552 3.704 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000610214972 835159331 /nfs/dbraw/zinc/15/93/31/835159331.db2.gz AEPYVEWOILYHMM-NRFANRHFSA-N 1 0 391.515 3.897 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCNc2ccccc2F)c(-c2ccncc2)n1 ZINC000433334074 844025154 /nfs/dbraw/zinc/02/51/54/844025154.db2.gz GDRUJRYWOOGQAM-UHFFFAOYSA-N 1 0 378.455 3.590 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611966855 835179068 /nfs/dbraw/zinc/17/90/68/835179068.db2.gz AVMDRZUUGNKJKJ-CVEARBPZSA-N 1 0 390.487 3.975 20 30 GHEDRO C[C@H](Sc1ccc(C#N)cc1F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610219121 835204152 /nfs/dbraw/zinc/20/41/52/835204152.db2.gz YWWVSOMYPRZZST-YJBOKZPZSA-N 1 0 383.492 3.569 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157651751 835304906 /nfs/dbraw/zinc/30/49/06/835304906.db2.gz LLMHWGVWAGUJLC-GOSISDBHSA-N 1 0 379.435 3.621 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000433355616 844039090 /nfs/dbraw/zinc/03/90/90/844039090.db2.gz PTJGCIBTGKOTLB-HXUWFJFHSA-N 1 0 379.529 3.946 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1C#N ZINC000157663127 835332141 /nfs/dbraw/zinc/33/21/41/835332141.db2.gz BOZDNPKTZSHVTR-SFHVURJKSA-N 1 0 382.464 3.897 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000658139230 835466709 /nfs/dbraw/zinc/46/67/09/835466709.db2.gz OLAQAPNVCVGTOS-FPOVZHCZSA-N 1 0 383.536 3.515 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000647380094 835530619 /nfs/dbraw/zinc/53/06/19/835530619.db2.gz IVBLBAKVOCIYLI-INIZCTEOSA-N 1 0 394.548 3.607 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCOCCc2ccccc2)c(-c2ccncc2)n1 ZINC000278614334 835552653 /nfs/dbraw/zinc/55/26/53/835552653.db2.gz IZRUVHYZCUENHH-UHFFFAOYSA-N 1 0 389.503 3.598 20 30 GHEDRO COc1cccc(CC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000612123332 835557548 /nfs/dbraw/zinc/55/75/48/835557548.db2.gz UKLGSNHGJOSCFX-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]4COCC[C@H]43)sc2C1 ZINC000584099420 835587464 /nfs/dbraw/zinc/58/74/64/835587464.db2.gz NSXPTQSYHAMELI-IIDMSEBBSA-N 1 0 387.549 3.574 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c(-c2ccncc2)n1 ZINC000278643783 835687531 /nfs/dbraw/zinc/68/75/31/835687531.db2.gz LQWBEQGIMQNXPS-FQEVSTJZSA-N 1 0 379.508 3.830 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cc(Br)cs1 ZINC000052847802 835711490 /nfs/dbraw/zinc/71/14/90/835711490.db2.gz ZWTAUESCYMDFKJ-UHFFFAOYSA-N 1 0 384.324 3.904 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)CC1 ZINC000151713259 835765146 /nfs/dbraw/zinc/76/51/46/835765146.db2.gz FUZGKTXPBCMOAS-UHFFFAOYSA-N 1 0 386.540 3.685 20 30 GHEDRO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)sc2c1CCCCC2 ZINC000584289651 835847147 /nfs/dbraw/zinc/84/71/47/835847147.db2.gz ZJJZYIGXTRVIBS-YJBOKZPZSA-N 1 0 387.549 3.718 20 30 GHEDRO O=c1[nH]c2ccccc2cc1C=NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000588592108 835849198 /nfs/dbraw/zinc/84/91/98/835849198.db2.gz XXOZKTVAXQEJLP-ZJVWCJDDSA-N 1 0 375.472 3.650 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177096608 835864553 /nfs/dbraw/zinc/86/45/53/835864553.db2.gz LTVAPKVNTHBNSC-MRXNPFEDSA-N 1 0 382.426 3.904 20 30 GHEDRO Cc1cccc(C)c1OCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278722078 835878943 /nfs/dbraw/zinc/87/89/43/835878943.db2.gz SXQPKTVJYSLUTJ-UHFFFAOYSA-N 1 0 375.476 3.644 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179594253 835895169 /nfs/dbraw/zinc/89/51/69/835895169.db2.gz QFYILKIJQBKVCB-PBPGXSGUSA-N 1 0 393.487 3.983 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NCc3ccccc3-n3ccnc3)o2)cc1 ZINC000102784605 835946143 /nfs/dbraw/zinc/94/61/43/835946143.db2.gz OEETVYPLIMGCAX-UHFFFAOYSA-N 1 0 398.422 3.846 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000548913145 836078558 /nfs/dbraw/zinc/07/85/58/836078558.db2.gz GHLJWKKOPHAYLH-IBGZPJMESA-N 1 0 388.519 3.744 20 30 GHEDRO CCOCc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000179838954 836084769 /nfs/dbraw/zinc/08/47/69/836084769.db2.gz WCPCJCREUMCEPL-UHFFFAOYSA-N 1 0 393.531 3.811 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC000612295234 836090447 /nfs/dbraw/zinc/09/04/47/836090447.db2.gz UHHDEEHXOPFZLN-FQEVSTJZSA-N 1 0 389.931 3.639 20 30 GHEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000548931784 836242583 /nfs/dbraw/zinc/24/25/83/836242583.db2.gz BASZSCMTMBUCPC-JOCHJYFZSA-N 1 0 390.531 3.777 20 30 GHEDRO Cc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1C ZINC000065931022 836251787 /nfs/dbraw/zinc/25/17/87/836251787.db2.gz ITDDFTRIVZTSCU-UHFFFAOYSA-N 1 0 391.515 3.728 20 30 GHEDRO Cc1sc(-c2ccco2)nc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930668 836257343 /nfs/dbraw/zinc/25/73/43/836257343.db2.gz SVDVWEFMHINUGO-UHFFFAOYSA-N 1 0 394.500 3.787 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613389746 836270146 /nfs/dbraw/zinc/27/01/46/836270146.db2.gz NAQGUUBLUZPAEP-FUHIMQAGSA-N 1 0 397.544 3.774 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C ZINC000612503225 836324343 /nfs/dbraw/zinc/32/43/43/836324343.db2.gz RGWIBOPICNJJPG-OLZOCXBDSA-N 1 0 385.537 3.608 20 30 GHEDRO CC(C)[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)N1CCOCC1 ZINC000236705481 836446404 /nfs/dbraw/zinc/44/64/04/836446404.db2.gz YGCJLARCSZFGRV-XMMPIXPASA-N 1 0 393.531 3.584 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452023388 836683077 /nfs/dbraw/zinc/68/30/77/836683077.db2.gz XKPWWORQEWXODX-IAOVAPTHSA-N 1 0 375.538 3.763 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1nc(C(F)(F)F)cs1 ZINC000613511420 836704884 /nfs/dbraw/zinc/70/48/84/836704884.db2.gz XTOBLODQSJUZIW-LLVKDONJSA-N 1 0 381.427 3.748 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ncccc2OCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000188688289 844195242 /nfs/dbraw/zinc/19/52/42/844195242.db2.gz ONXNLORESOXELN-MJGOQNOKSA-N 1 0 393.491 3.549 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180027180 836753901 /nfs/dbraw/zinc/75/39/01/836753901.db2.gz ZWQDVRRMIFUGHR-QHCPKHFHSA-N 1 0 385.515 3.885 20 30 GHEDRO N#Cc1nc(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)ccc1Cl ZINC001167166732 836759920 /nfs/dbraw/zinc/75/99/20/836759920.db2.gz KGQNZWCWBGFYGX-UHFFFAOYSA-N 1 0 388.656 3.621 20 30 GHEDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658926969 836768533 /nfs/dbraw/zinc/76/85/33/836768533.db2.gz KMLKCRAEKRYEPZ-SKDRFNHKSA-N 1 0 386.311 3.928 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C)C1 ZINC000610782394 844207959 /nfs/dbraw/zinc/20/79/59/844207959.db2.gz FBEYXBGJYLDAPT-UZLBHIALSA-N 1 0 393.491 3.940 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180049944 836920112 /nfs/dbraw/zinc/92/01/12/836920112.db2.gz DAXXSIHOFUBBCS-HSZRJFAPSA-N 1 0 385.515 3.713 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000472471179 836934539 /nfs/dbraw/zinc/93/45/39/836934539.db2.gz PJTXKACJYUCWTO-QHCPKHFHSA-N 1 0 394.563 3.847 20 30 GHEDRO CCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H](C)c1ccccc1OC ZINC001167218582 836940358 /nfs/dbraw/zinc/94/03/58/836940358.db2.gz QZUJPPUDUOKLMM-GOSISDBHSA-N 1 0 390.483 3.768 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC2CCCCC2)cc1 ZINC000027330128 837044527 /nfs/dbraw/zinc/04/45/27/837044527.db2.gz HPZNCHUSYRRXPJ-UHFFFAOYSA-O 1 0 382.553 3.901 20 30 GHEDRO O=C(c1ccccc1)C(C(=S)Nc1ccc2c(c1)OCCO2)[n+]1ccccc1 ZINC000028649106 837139023 /nfs/dbraw/zinc/13/90/23/837139023.db2.gz SDXJPRMSPXUSHH-UHFFFAOYSA-O 1 0 391.472 3.796 20 30 GHEDRO C=CC[C@@H]1N(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC2CC2)CCCC1(C)C ZINC000613080740 837217361 /nfs/dbraw/zinc/21/73/61/837217361.db2.gz SWTHGYSNWBTDPI-AABGKKOBSA-N 1 0 399.583 3.795 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000414340922 837229007 /nfs/dbraw/zinc/22/90/07/837229007.db2.gz HNMCEWHQKIHTPG-QFIPXVFZSA-N 1 0 378.495 3.530 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCC(C)(C)CCC#N)C1CCCCC1 ZINC000510959933 844250279 /nfs/dbraw/zinc/25/02/79/844250279.db2.gz SFQPJYHYIXSFPA-UHFFFAOYSA-N 1 0 398.551 3.836 20 30 GHEDRO CC[C@@H](CO)[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000467180846 837373164 /nfs/dbraw/zinc/37/31/64/837373164.db2.gz MZBWFISBAUDRCI-FQEVSTJZSA-N 1 0 399.922 3.860 20 30 GHEDRO C[C@@H](O)[C@](C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000188902905 837980122 /nfs/dbraw/zinc/98/01/22/837980122.db2.gz RBUQYITZTKULLZ-NLFFAJNJSA-N 1 0 391.559 3.742 20 30 GHEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415708140 838008508 /nfs/dbraw/zinc/00/85/08/838008508.db2.gz XAOCOYSMLOCBEM-MAUKXSAKSA-N 1 0 394.523 3.775 20 30 GHEDRO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1C(F)(F)F ZINC000414431934 838035295 /nfs/dbraw/zinc/03/52/95/838035295.db2.gz IKAOYCDHMKJBDF-LJQANCHMSA-N 1 0 387.405 3.776 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)NC)c1)C(C)C ZINC000047814966 838205275 /nfs/dbraw/zinc/20/52/75/838205275.db2.gz JAHZMUCUQSLMRJ-SFHVURJKSA-N 1 0 392.931 3.520 20 30 GHEDRO C=CCC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000655920864 838218206 /nfs/dbraw/zinc/21/82/06/838218206.db2.gz LIPXUEHFYQTKKK-STQMWFEESA-N 1 0 383.336 3.902 20 30 GHEDRO CCc1oc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1C(=O)OC ZINC000549801905 844307710 /nfs/dbraw/zinc/30/77/10/844307710.db2.gz ZIGGPCUUUYRQEK-UHFFFAOYSA-N 1 0 382.460 3.980 20 30 GHEDRO C[NH2+]Cc1ccccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000415909829 838266908 /nfs/dbraw/zinc/26/69/08/838266908.db2.gz GOXXSINTLLFVML-UHFFFAOYSA-N 1 0 378.476 3.789 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000378062978 838355778 /nfs/dbraw/zinc/35/57/78/838355778.db2.gz VOTLJOXYNFDUMM-HTAPYJJXSA-N 1 0 377.488 3.588 20 30 GHEDRO N#CCCC[NH2+]Cc1cc(I)c(Br)cc1F ZINC000309517729 838366643 /nfs/dbraw/zinc/36/66/43/838366643.db2.gz SETFECKDBHTGOX-UHFFFAOYSA-N 1 0 397.029 3.586 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000609316518 838463293 /nfs/dbraw/zinc/46/32/93/838463293.db2.gz PQNMRBVMPQGREL-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO CC(C)[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H]1CCC(=O)N1 ZINC000414557522 838624199 /nfs/dbraw/zinc/62/41/99/838624199.db2.gz LRZJTJCVOGXEDH-OAQYLSRUSA-N 1 0 377.488 3.626 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c(OC)c1 ZINC000158053865 844374098 /nfs/dbraw/zinc/37/40/98/844374098.db2.gz ISRJLHKMWZTBIA-UXHICEINSA-N 1 0 397.515 3.662 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000579469078 838985131 /nfs/dbraw/zinc/98/51/31/838985131.db2.gz RUZOXMWRNUICGR-OXQOHEQNSA-N 1 0 394.519 3.758 20 30 GHEDRO COc1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)ccc1OCC[NH+](C)C ZINC000416335253 838986865 /nfs/dbraw/zinc/98/68/65/838986865.db2.gz UFHPRFUFCYCEFP-UHFFFAOYSA-N 1 0 395.503 3.715 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000549145469 839026358 /nfs/dbraw/zinc/02/63/58/839026358.db2.gz ROCJDZNZWDDIOV-UHFFFAOYSA-N 1 0 395.478 3.612 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000415011181 839054637 /nfs/dbraw/zinc/05/46/37/839054637.db2.gz QJDLELWZEDTJMS-UHFFFAOYSA-N 1 0 394.475 3.712 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000610400162 839056690 /nfs/dbraw/zinc/05/66/90/839056690.db2.gz FYFHHKWSGBWKGA-DYESRHJHSA-N 1 0 392.503 3.764 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000458175298 844403879 /nfs/dbraw/zinc/40/38/79/844403879.db2.gz SYOIXYCQDWIWRT-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000415080050 839175506 /nfs/dbraw/zinc/17/55/06/839175506.db2.gz IQZHZEYDNYLRLK-GDBMZVCRSA-N 1 0 380.448 3.560 20 30 GHEDRO COc1ccc(C[C@@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000378484808 839206226 /nfs/dbraw/zinc/20/62/26/839206226.db2.gz XFLGRFGSEXBIJO-LJQANCHMSA-N 1 0 391.515 3.548 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415118686 839231128 /nfs/dbraw/zinc/23/11/28/839231128.db2.gz HFBHAJKOQPIKGK-QFBILLFUSA-N 1 0 378.476 3.647 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000378550049 839319211 /nfs/dbraw/zinc/31/92/11/839319211.db2.gz NOAWTFJHAAWIRJ-IBGZPJMESA-N 1 0 377.492 3.790 20 30 GHEDRO COc1cccc(/C(C)=C\C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000255199633 839455483 /nfs/dbraw/zinc/45/54/83/839455483.db2.gz XRNIJYDJWFSTMA-AQTBWJFISA-N 1 0 377.488 3.561 20 30 GHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H]1C[NH3+] ZINC000415239441 839456478 /nfs/dbraw/zinc/45/64/78/839456478.db2.gz OLOLDDMSOVSVHU-GDBMZVCRSA-N 1 0 382.439 3.938 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549253824 839592952 /nfs/dbraw/zinc/59/29/52/839592952.db2.gz FZJHKZKKESSZIL-IBGZPJMESA-N 1 0 378.524 3.561 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000177780531 839665643 /nfs/dbraw/zinc/66/56/43/839665643.db2.gz UOUKVZXZEMIPMR-YADHBBJMSA-N 1 0 389.499 3.836 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549270754 839729070 /nfs/dbraw/zinc/72/90/70/839729070.db2.gz MJSVZBZJPVVMPH-UHFFFAOYSA-N 1 0 385.581 3.961 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377668114 839922586 /nfs/dbraw/zinc/92/25/86/839922586.db2.gz KOIMOAMKYTUDCR-AEFFLSMTSA-N 1 0 388.924 3.637 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1Cl ZINC000377693359 839978096 /nfs/dbraw/zinc/97/80/96/839978096.db2.gz KLWXWOIIBMYSKS-UHFFFAOYSA-N 1 0 392.912 3.607 20 30 GHEDRO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C)c1ccc(C#N)cc1 ZINC000610458760 840101979 /nfs/dbraw/zinc/10/19/79/840101979.db2.gz ROYWIDSQYUSRGR-RTBURBONSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1 ZINC000609460049 840178694 /nfs/dbraw/zinc/17/86/94/840178694.db2.gz YOQATUQSHQSYDN-AVRDEDQJSA-N 1 0 390.531 3.773 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000068883340 840203766 /nfs/dbraw/zinc/20/37/66/840203766.db2.gz KBQLNCPECRTXAQ-HXUWFJFHSA-N 1 0 382.464 3.595 20 30 GHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2ccc(C#N)cc2)[n+]2ccccc2)c1 ZINC000185583160 840242828 /nfs/dbraw/zinc/24/28/28/840242828.db2.gz KOACHRWRLRPYNG-UHFFFAOYSA-O 1 0 382.468 3.878 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000580934150 840464884 /nfs/dbraw/zinc/46/48/84/840464884.db2.gz CNHFXRGLCJNULJ-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000177860641 840481142 /nfs/dbraw/zinc/48/11/42/840481142.db2.gz RMTPUHRSQCFSBU-LBPRGKRZSA-N 1 0 390.256 3.967 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N[C@H](CCCC#N)c2ccccc2)Cc2ccccc2C1 ZINC000431983560 840484574 /nfs/dbraw/zinc/48/45/74/840484574.db2.gz ASLRRDFPILUFQL-JOCHJYFZSA-N 1 0 390.531 3.820 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000511681164 840506916 /nfs/dbraw/zinc/50/69/16/840506916.db2.gz NWGWLAOXUWDCII-OAQYLSRUSA-N 1 0 394.494 3.797 20 30 GHEDRO Cc1ccc([C@@H](c2nc(-c3ccc(C#N)c(C)c3)no2)N2CCC[C@H]([NH3+])C2)cc1 ZINC001211824356 844547812 /nfs/dbraw/zinc/54/78/12/844547812.db2.gz CTZYTSHEKFFLJY-SFTDATJTSA-N 1 0 387.487 3.738 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(N(C)C)cc1 ZINC000186978251 840555477 /nfs/dbraw/zinc/55/54/77/840555477.db2.gz CAALWPNRJJIMKO-UHFFFAOYSA-O 1 0 395.552 3.629 20 30 GHEDRO CCOc1cccc(C=Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)c1O ZINC000255264928 840687871 /nfs/dbraw/zinc/68/78/71/840687871.db2.gz CIUHXKGUJWMPMW-UHFFFAOYSA-N 1 0 383.492 3.692 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1OC ZINC000093820388 840788322 /nfs/dbraw/zinc/78/83/22/840788322.db2.gz GMSPSACMYLKBGX-GOSISDBHSA-N 1 0 382.298 3.635 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000124176553 840803196 /nfs/dbraw/zinc/80/31/96/840803196.db2.gz NVZOPKXDPLKEKZ-UHFFFAOYSA-N 1 0 391.397 3.568 20 30 GHEDRO CN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276065972 840902802 /nfs/dbraw/zinc/90/28/02/840902802.db2.gz LBGSOIUKDMORLG-LJQANCHMSA-N 1 0 393.491 3.502 20 30 GHEDRO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000156961129 840939146 /nfs/dbraw/zinc/93/91/46/840939146.db2.gz LLZHTZYMCLARKJ-YLJYHZDGSA-N 1 0 396.560 3.933 20 30 GHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000584807618 840945973 /nfs/dbraw/zinc/94/59/73/840945973.db2.gz HVMDWTVUGGJUHH-OAQYLSRUSA-N 1 0 393.535 3.595 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000581338630 841111139 /nfs/dbraw/zinc/11/11/39/841111139.db2.gz KZWCXXXTNILSSD-UHFFFAOYSA-N 1 0 376.508 3.560 20 30 GHEDRO C=CCC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000417909755 841261043 /nfs/dbraw/zinc/26/10/43/841261043.db2.gz DHLFAEJZWPAKNB-KGLIPLIRSA-N 1 0 379.373 3.994 20 30 GHEDRO CN(C)C(=O)c1ccccc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000417914755 841269579 /nfs/dbraw/zinc/26/95/79/841269579.db2.gz BAALQWHTYPZNLX-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329240828 861192420 /nfs/dbraw/zinc/19/24/20/861192420.db2.gz RGBBSASFAHLACT-MANSERQUSA-N 1 0 391.581 3.815 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000661001372 841320644 /nfs/dbraw/zinc/32/06/44/841320644.db2.gz MYZJRGGUNBZCDU-YUVXSKOASA-N 1 0 381.520 3.866 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(CC)cc1 ZINC000027310036 841370562 /nfs/dbraw/zinc/37/05/62/841370562.db2.gz GIMOVULPKKPNQV-UHFFFAOYSA-O 1 0 381.521 3.576 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(CC)cc1 ZINC000027323873 841381960 /nfs/dbraw/zinc/38/19/60/841381960.db2.gz GBKVFXAWEQBGAQ-UHFFFAOYSA-O 1 0 398.552 3.823 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000651708780 841406100 /nfs/dbraw/zinc/40/61/00/841406100.db2.gz AREGSEIWSLSHJH-YLJYHZDGSA-N 1 0 386.536 3.703 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000893439447 841556140 /nfs/dbraw/zinc/55/61/40/841556140.db2.gz GNHYIYNTAZOZMV-OXQOHEQNSA-N 1 0 382.533 3.672 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)cc1 ZINC000500172234 841570610 /nfs/dbraw/zinc/57/06/10/841570610.db2.gz PWKYSXSDLAZUMV-IBGZPJMESA-N 1 0 388.870 3.912 20 30 GHEDRO C#CCC1([NH2+][C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CCC1 ZINC000933298341 841581212 /nfs/dbraw/zinc/58/12/12/841581212.db2.gz YGKGBZUYTSDHFC-HNNXBMFYSA-N 1 0 381.501 3.863 20 30 GHEDRO C=CC[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000661277204 841593472 /nfs/dbraw/zinc/59/34/72/841593472.db2.gz STUGEPLGHSMAIA-LJQANCHMSA-N 1 0 398.551 3.607 20 30 GHEDRO CCc1nnc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1CC ZINC000092695958 841692865 /nfs/dbraw/zinc/69/28/65/841692865.db2.gz BAFVKCIWXBCITM-UHFFFAOYSA-N 1 0 378.524 3.611 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329270458 861229101 /nfs/dbraw/zinc/22/91/01/861229101.db2.gz HCLRMEPRYGHTHF-FQEVSTJZSA-N 1 0 381.524 3.637 20 30 GHEDRO Cc1cccc(Oc2cc(CNC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)ccn2)c1C ZINC000329271791 861231280 /nfs/dbraw/zinc/23/12/80/861231280.db2.gz IFZRBODGSNVQLH-VQTJNVASSA-N 1 0 394.519 3.931 20 30 GHEDRO CC(=O)N[C@H](CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1cccs1 ZINC000329275109 861232563 /nfs/dbraw/zinc/23/25/63/861232563.db2.gz BLRJQCDWVCBDAY-VMWRSERWSA-N 1 0 377.554 3.879 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874367 841887416 /nfs/dbraw/zinc/88/74/16/841887416.db2.gz RDLWVPDEKFKZOY-KURKYZTESA-N 1 0 377.488 3.512 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000549557226 841989008 /nfs/dbraw/zinc/98/90/08/841989008.db2.gz ULQMKAVQFGBRDH-SUMWQHHRSA-N 1 0 388.393 3.537 20 30 GHEDRO N#CCC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595829890 841994472 /nfs/dbraw/zinc/99/44/72/841994472.db2.gz JICYRXGNPNXOMG-OAQYLSRUSA-N 1 0 380.536 3.624 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000730761829 861263922 /nfs/dbraw/zinc/26/39/22/861263922.db2.gz MSDHINOVWLIHCW-INIZCTEOSA-N 1 0 381.545 3.949 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000066905639 842085979 /nfs/dbraw/zinc/08/59/79/842085979.db2.gz SBQPUOFSMFNOCJ-QFIPXVFZSA-N 1 0 385.467 3.993 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@](C)(CO)c2ccccc2)c1C#N ZINC000609483971 842116049 /nfs/dbraw/zinc/11/60/49/842116049.db2.gz XOJQYMSTZUCIAH-HSZRJFAPSA-N 1 0 394.519 3.528 20 30 GHEDRO Cc1sc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c(C#N)c1C ZINC000610543215 842309522 /nfs/dbraw/zinc/30/95/22/842309522.db2.gz DGSYHKLRYWEUOC-INIZCTEOSA-N 1 0 396.560 3.772 20 30 GHEDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000891569576 842342459 /nfs/dbraw/zinc/34/24/59/842342459.db2.gz PUBCHUJYJDYTNR-LJQANCHMSA-N 1 0 379.504 3.732 20 30 GHEDRO CN(CCCC[NH+](C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000585808795 842377867 /nfs/dbraw/zinc/37/78/67/842377867.db2.gz VJARUYLPGUCIQQ-UHFFFAOYSA-N 1 0 396.539 3.847 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000432272343 842469988 /nfs/dbraw/zinc/46/99/88/842469988.db2.gz TZLMBHPAPCDFIQ-NRFANRHFSA-N 1 0 380.492 3.698 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000662078753 842607154 /nfs/dbraw/zinc/60/71/54/842607154.db2.gz JPZSKTGVRPXNGQ-ZCNNSNEGSA-N 1 0 382.504 3.694 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000512144537 842636642 /nfs/dbraw/zinc/63/66/42/842636642.db2.gz BLAWQMZZRAKNMO-QGZVFWFLSA-N 1 0 383.410 3.772 20 30 GHEDRO C=C(C)C[N@H+](CCOc1cccc(Br)c1)Cc1ccc(CO)o1 ZINC000512168359 842718152 /nfs/dbraw/zinc/71/81/52/842718152.db2.gz TVAVXIRQJQYGQM-UHFFFAOYSA-N 1 0 380.282 3.992 20 30 GHEDRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000893668201 842870360 /nfs/dbraw/zinc/87/03/60/842870360.db2.gz JIONNLKSBSJZNP-UHFFFAOYSA-N 1 0 386.417 3.951 20 30 GHEDRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 ZINC000188376580 842919398 /nfs/dbraw/zinc/91/93/98/842919398.db2.gz AAKOQZNYZASTCR-UHFFFAOYSA-N 1 0 381.524 3.827 20 30 GHEDRO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000510579233 842995409 /nfs/dbraw/zinc/99/54/09/842995409.db2.gz NHUYYCUIKJKGLN-FGZHOGPDSA-N 1 0 382.552 3.990 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599598140 861383931 /nfs/dbraw/zinc/38/39/31/861383931.db2.gz QWRZNLIQPYXMBZ-LPHOPBHVSA-N 1 0 378.476 3.708 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000471877801 843179729 /nfs/dbraw/zinc/17/97/29/843179729.db2.gz PIQXTGUJEIXERV-UHFFFAOYSA-N 1 0 390.531 3.753 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000662422109 843215106 /nfs/dbraw/zinc/21/51/06/843215106.db2.gz ZHLPBBYHDFUPTJ-SKDRFNHKSA-N 1 0 386.311 3.785 20 30 GHEDRO C[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329418851 861394588 /nfs/dbraw/zinc/39/45/88/861394588.db2.gz GVKGXASYJFMXSQ-CABCVRRESA-N 1 0 376.570 3.853 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000329423722 861400932 /nfs/dbraw/zinc/40/09/32/861400932.db2.gz HXHMRPZLNBJZIH-HXUWFJFHSA-N 1 0 382.508 3.649 20 30 GHEDRO C=CCc1cc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1OC ZINC000065064211 843329734 /nfs/dbraw/zinc/32/97/34/843329734.db2.gz LPCQQILWXVUMCM-UHFFFAOYSA-N 1 0 394.515 3.958 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)NCC3CCSCC3)CC[N@@H+]2C2CC2)c1 ZINC000329429146 861408392 /nfs/dbraw/zinc/40/83/92/861408392.db2.gz JTMHZFCIRWNRMC-VQTJNVASSA-N 1 0 389.565 3.620 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)cc1 ZINC000610652229 843371837 /nfs/dbraw/zinc/37/18/37/843371837.db2.gz KEIHMWWSZPIZHM-RDGATRHJSA-N 1 0 390.527 3.862 20 30 GHEDRO CN(C)C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000599628145 861415340 /nfs/dbraw/zinc/41/53/40/861415340.db2.gz PNHQOBYVXGFLAL-QGZVFWFLSA-N 1 0 397.350 3.528 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)Cn2cccn2)cc1OC ZINC000069786904 843463629 /nfs/dbraw/zinc/46/36/29/843463629.db2.gz ACWDMAYNHPCVAU-CQSZACIVSA-N 1 0 394.313 3.645 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1OCC ZINC000644841707 843577349 /nfs/dbraw/zinc/57/73/49/843577349.db2.gz RWIVUCFTMPXIAB-RDJZCZTQSA-N 1 0 395.341 3.549 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000431119715 843621085 /nfs/dbraw/zinc/62/10/85/843621085.db2.gz RXPNPJTXBSOZME-UHFFFAOYSA-N 1 0 397.523 3.687 20 30 GHEDRO CC[C@@H]1CN(C(NCc2nnc3n2CCCCC3)=[NH+]C)CC[C@H]1c1ccccc1 ZINC000261655296 843625360 /nfs/dbraw/zinc/62/53/60/843625360.db2.gz AMDZHIYTIHRZCD-UYAOXDASSA-N 1 0 394.567 3.596 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000510892875 843732388 /nfs/dbraw/zinc/73/23/88/843732388.db2.gz KDUSWQHVOLIKND-NRFANRHFSA-N 1 0 376.504 3.658 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738846 843806528 /nfs/dbraw/zinc/80/65/28/843806528.db2.gz MFDPERALHDXJMT-KPRXVCGWSA-N 1 0 395.547 3.827 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H](CC(C)(C)C)C1 ZINC000669335520 843852905 /nfs/dbraw/zinc/85/29/05/843852905.db2.gz NBGZJZBXBYDGNV-QRVBRYPASA-N 1 0 387.572 3.652 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)c1 ZINC000509840678 843962173 /nfs/dbraw/zinc/96/21/73/843962173.db2.gz VFJIGWAJGABKRX-INIZCTEOSA-N 1 0 397.519 3.819 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4nc(Cc5ccccc5)oc4c3)[C@@H]2C1 ZINC000329461116 861476678 /nfs/dbraw/zinc/47/66/78/861476678.db2.gz SNWFAAURNFHDRU-YLJYHZDGSA-N 1 0 390.487 3.990 20 30 GHEDRO CCCCCCC[C@@H](C)CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000731118554 861477849 /nfs/dbraw/zinc/47/78/49/861477849.db2.gz ARQMQRQBLMPNEQ-NHCUHLMSSA-N 1 0 380.621 3.795 20 30 GHEDRO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000433298978 843986149 /nfs/dbraw/zinc/98/61/49/843986149.db2.gz ARNVZXVAFZLPRV-DGGJZMOXSA-N 1 0 387.487 3.902 20 30 GHEDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000433313086 843999092 /nfs/dbraw/zinc/99/90/92/843999092.db2.gz UAXUKVOXMOHORT-VQTJNVASSA-N 1 0 381.524 3.932 20 30 GHEDRO Cc1ccccc1OCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433314166 844000720 /nfs/dbraw/zinc/00/07/20/844000720.db2.gz YRIGFUFJONQFER-UHFFFAOYSA-N 1 0 375.476 3.726 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000513153375 844667324 /nfs/dbraw/zinc/66/73/24/844667324.db2.gz JFZAALKVBVQCLO-JOCHJYFZSA-N 1 0 390.531 3.655 20 30 GHEDRO C[NH+](C)CCOc1ccc(CC/N=C/c2cc(Br)ccc2O)cc1 ZINC000729150840 844750859 /nfs/dbraw/zinc/75/08/59/844750859.db2.gz YWFHUCQVNSGVHD-KGENOOAVSA-N 1 0 391.309 3.757 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cn1 ZINC000599695624 861502462 /nfs/dbraw/zinc/50/24/62/861502462.db2.gz DRLNYHICNKPKKP-VFNWGFHPSA-N 1 0 396.466 3.605 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000512629153 844836596 /nfs/dbraw/zinc/83/65/96/844836596.db2.gz HQACPZFPRXOEEY-LBPRGKRZSA-N 1 0 390.256 3.540 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCC(=O)Nc3cccc4ccccc43)C2)nc1 ZINC000555653193 861503251 /nfs/dbraw/zinc/50/32/51/861503251.db2.gz TWVXSZAPKUAQGL-LJQANCHMSA-N 1 0 386.455 3.588 20 30 GHEDRO CCOC(=O)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000544369612 861505172 /nfs/dbraw/zinc/50/51/72/861505172.db2.gz DXURRIPFAYEMSR-UHFFFAOYSA-N 1 0 378.472 3.960 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCCCCCC[NH+]2CCCC2)cc1 ZINC000729340185 844860688 /nfs/dbraw/zinc/86/06/88/844860688.db2.gz DNODTKKCRSDEMD-JOCHJYFZSA-N 1 0 382.552 3.690 20 30 GHEDRO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)cn1 ZINC000599698874 861506394 /nfs/dbraw/zinc/50/63/94/861506394.db2.gz MPXRUBSAZKUCNS-QHCPKHFHSA-N 1 0 392.503 3.695 20 30 GHEDRO COC(=O)[C@]1(NCc2ccc(Cl)cc2C#N)CCC[N@H+](Cc2ccccc2)C1 ZINC000614176778 844872334 /nfs/dbraw/zinc/87/23/34/844872334.db2.gz HAZGVRCCSFJSHN-QFIPXVFZSA-N 1 0 397.906 3.509 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000614179626 844884926 /nfs/dbraw/zinc/88/49/26/844884926.db2.gz VHKJRTKJUCCFDS-INIZCTEOSA-N 1 0 385.533 3.589 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000433012020 844915098 /nfs/dbraw/zinc/91/50/98/844915098.db2.gz QSEKLKHHXMALGC-FGZHOGPDSA-N 1 0 395.478 3.750 20 30 GHEDRO C=C(CNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000512658947 844933000 /nfs/dbraw/zinc/93/30/00/844933000.db2.gz BDEJWTYFYCBINQ-UHFFFAOYSA-N 1 0 379.504 3.626 20 30 GHEDRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1F ZINC000433020905 844986161 /nfs/dbraw/zinc/98/61/61/844986161.db2.gz PALYCVWBUWIZDM-FQEVSTJZSA-N 1 0 383.467 3.817 20 30 GHEDRO CC(C)(C#N)CCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437461 844988425 /nfs/dbraw/zinc/98/84/25/844988425.db2.gz KMKQRHKAEBFZFU-SFHVURJKSA-N 1 0 389.341 3.961 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000610987307 844994195 /nfs/dbraw/zinc/99/41/95/844994195.db2.gz YLZTTWKRZGVDOC-FGZHOGPDSA-N 1 0 376.504 3.947 20 30 GHEDRO C=C(CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000512680607 845014433 /nfs/dbraw/zinc/01/44/33/845014433.db2.gz CXVIBAQCOWKLBS-BGYRXZFFSA-N 1 0 385.552 3.621 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1c(F)cccc1C#N ZINC000509127765 861522733 /nfs/dbraw/zinc/52/27/33/861522733.db2.gz QCZIKCUYHMPCST-UHFFFAOYSA-N 1 0 393.466 3.570 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@H](O)CO[C@H]1CCCc3ccccc31)C2 ZINC000599686820 861528318 /nfs/dbraw/zinc/52/83/18/861528318.db2.gz ZNKUGQPLGOCFQH-URXFXBBRSA-N 1 0 376.500 3.566 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)ccn1 ZINC000610993175 845094168 /nfs/dbraw/zinc/09/41/68/845094168.db2.gz GRKOKVLDXYOCMK-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000181550443 845095037 /nfs/dbraw/zinc/09/50/37/845095037.db2.gz UGROEEJXKPDLKS-MJGOQNOKSA-N 1 0 386.536 3.572 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000236663627 845168980 /nfs/dbraw/zinc/16/89/80/845168980.db2.gz ILKBNOHYUDPCEC-UHFFFAOYSA-N 1 0 387.531 3.733 20 30 GHEDRO COc1ccccc1C1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538395694 845409549 /nfs/dbraw/zinc/40/95/49/845409549.db2.gz LHAMUORFWIHKDU-UHFFFAOYSA-N 1 0 375.516 3.853 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000673744874 861569111 /nfs/dbraw/zinc/56/91/11/861569111.db2.gz MNRSNXRELOXXPD-UXHICEINSA-N 1 0 394.519 3.524 20 30 GHEDRO N#Cc1cnn2cc(C[NH+]3CCC(c4ccccc4C(F)(F)F)CC3)cnc12 ZINC000563154716 845491476 /nfs/dbraw/zinc/49/14/76/845491476.db2.gz ULEQRUCCYCRFOD-UHFFFAOYSA-N 1 0 385.393 3.999 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc2ccccc2o1 ZINC000182640105 845517005 /nfs/dbraw/zinc/51/70/05/845517005.db2.gz QKKMMYCSNNOCOU-OAHLLOKOSA-N 1 0 385.427 3.779 20 30 GHEDRO CSc1nnc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000262816127 845527896 /nfs/dbraw/zinc/52/78/96/845527896.db2.gz VSTPGIRFGAIOKT-ZETCQYMHSA-N 1 0 376.338 3.732 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1SCC#N ZINC000843814108 861586335 /nfs/dbraw/zinc/58/63/35/861586335.db2.gz HLLNUYBZZUFAKQ-YLJYHZDGSA-N 1 0 379.529 3.943 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000513573680 845699354 /nfs/dbraw/zinc/69/93/54/845699354.db2.gz RMGCGISWRZCJNR-HNNXBMFYSA-N 1 0 396.800 3.658 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000115320632 845764587 /nfs/dbraw/zinc/76/45/87/845764587.db2.gz SKMKDYWZPWXXSW-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@@H](C)c2cncs2)c1C#N ZINC000934196961 845772586 /nfs/dbraw/zinc/77/25/86/845772586.db2.gz HBFDDJWUFGGYIF-HNNXBMFYSA-N 1 0 393.516 3.771 20 30 GHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000280549108 846440943 /nfs/dbraw/zinc/44/09/43/846440943.db2.gz ALZKAONLJQWYJI-QHCPKHFHSA-N 1 0 386.499 3.543 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000280644660 846473930 /nfs/dbraw/zinc/47/39/30/846473930.db2.gz RPABOMJNNKTSOQ-UHFFFAOYSA-N 1 0 390.329 3.565 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000500989078 846527242 /nfs/dbraw/zinc/52/72/42/846527242.db2.gz KSPVTOBFVFTHJT-OAQYLSRUSA-N 1 0 381.907 3.828 20 30 GHEDRO CCC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000179665918 861692737 /nfs/dbraw/zinc/69/27/37/861692737.db2.gz RDSYBJXVXOSXBF-PMACEKPBSA-N 1 0 396.560 3.588 20 30 GHEDRO CC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000263663404 846596452 /nfs/dbraw/zinc/59/64/52/846596452.db2.gz FVGPRDPWOYTDFR-UHFFFAOYSA-N 1 0 394.494 3.893 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](OC(F)F)C3)sc2C1 ZINC000611580676 846610549 /nfs/dbraw/zinc/61/05/49/846610549.db2.gz ZOWZEZNQCURWOS-OLZOCXBDSA-N 1 0 397.491 3.777 20 30 GHEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000555728153 861706470 /nfs/dbraw/zinc/70/64/70/861706470.db2.gz GMPGXPXFEXBTLL-CQSZACIVSA-N 1 0 383.414 3.525 20 30 GHEDRO COc1cc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(F)cc1C#N ZINC000599816221 861715816 /nfs/dbraw/zinc/71/58/16/861715816.db2.gz CJHAGYOTKPLDQS-WMLDXEAASA-N 1 0 382.439 3.663 20 30 GHEDRO COc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(F)cc1C#N ZINC000599820119 861726531 /nfs/dbraw/zinc/72/65/31/861726531.db2.gz VAIYRYZPXRONOL-BEFAXECRSA-N 1 0 396.466 3.738 20 30 GHEDRO CC(C)CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000120066894 846868830 /nfs/dbraw/zinc/86/88/30/846868830.db2.gz CTZKFLVTJCQMGP-OAHLLOKOSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000582330526 846882932 /nfs/dbraw/zinc/88/29/32/846882932.db2.gz WSYAZCFVSVZNIA-UHFFFAOYSA-N 1 0 392.322 3.615 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000582343762 846909420 /nfs/dbraw/zinc/90/94/20/846909420.db2.gz FVJJWWSVSDDYRZ-MSOLQXFVSA-N 1 0 398.334 3.601 20 30 GHEDRO C[N@H+](CCCOc1cccc(C#N)c1)[C@H](CO)c1cccc(Br)c1 ZINC000501407752 846910976 /nfs/dbraw/zinc/91/09/76/846910976.db2.gz FNCVCSUGOPSFJZ-LJQANCHMSA-N 1 0 389.293 3.755 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1cccc(Cl)c1 ZINC000271799008 846922137 /nfs/dbraw/zinc/92/21/37/846922137.db2.gz OTNWPSSVGNESQF-FQEVSTJZSA-N 1 0 385.895 3.690 20 30 GHEDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC2(C1)Oc1ccccc1O2 ZINC000329598413 861735655 /nfs/dbraw/zinc/73/56/55/861735655.db2.gz JJZMJVBGYFIWNX-LJQANCHMSA-N 1 0 393.487 3.611 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000611588993 846942422 /nfs/dbraw/zinc/94/24/22/846942422.db2.gz CLNQQRHLIHICSL-OAHLLOKOSA-N 1 0 384.505 3.669 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc([C@H](C)CC)cc2)C(C)C)CC1 ZINC000555751065 861736299 /nfs/dbraw/zinc/73/62/99/861736299.db2.gz QNXDBXLKTICSRT-GCJKJVERSA-N 1 0 399.579 3.780 20 30 GHEDRO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000272716567 847154527 /nfs/dbraw/zinc/15/45/27/847154527.db2.gz WOXUKNGAADPLRY-UHFFFAOYSA-N 1 0 397.523 3.858 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)cc1 ZINC000431403071 847163719 /nfs/dbraw/zinc/16/37/19/847163719.db2.gz LFBSHNCERCPPAW-ICSRJNTNSA-N 1 0 386.540 3.625 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000582449845 847272140 /nfs/dbraw/zinc/27/21/40/847272140.db2.gz UFKUUDIWCAERKJ-PXNSSMCTSA-N 1 0 389.455 3.836 20 30 GHEDRO CCN(C(=O)COc1ccccc1C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501960715 847349563 /nfs/dbraw/zinc/34/95/63/847349563.db2.gz YGFWZELUMLKOCN-NQIIRXRSSA-N 1 0 377.488 3.621 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc(C#C[Si](C)(C)C)nc1 ZINC001167944510 847455281 /nfs/dbraw/zinc/45/52/81/847455281.db2.gz GJKRKIXFUWDBNE-SFHVURJKSA-N 1 0 375.589 3.562 20 30 GHEDRO COc1ccc(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC2CC2)c(OC)c1 ZINC000503229176 847496082 /nfs/dbraw/zinc/49/60/82/847496082.db2.gz DVAPGSXDYWBVPA-UHFFFAOYSA-N 1 0 393.487 3.816 20 30 GHEDRO C[N@H+](CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)Cc1ccc(F)cc1 ZINC000502183912 847572475 /nfs/dbraw/zinc/57/24/75/847572475.db2.gz OINQYFBIQUNNTC-UHFFFAOYSA-N 1 0 392.478 3.628 20 30 GHEDRO CCN1CCC([N@@H+]2CCCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000420984371 847590195 /nfs/dbraw/zinc/59/01/95/847590195.db2.gz STLJWGIPFUMMAK-UHFFFAOYSA-N 1 0 393.497 3.549 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000502276260 847680357 /nfs/dbraw/zinc/68/03/57/847680357.db2.gz NAHXZAGVRVSFRR-QHCPKHFHSA-N 1 0 388.515 3.968 20 30 GHEDRO C=CCCn1cc(C[N@H+]2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)nn1 ZINC000626041102 847733449 /nfs/dbraw/zinc/73/34/49/847733449.db2.gz QPMJQWAVPHJPSO-HOCLYGCPSA-N 1 0 375.314 3.995 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000503582683 847824223 /nfs/dbraw/zinc/82/42/23/847824223.db2.gz FHWHPCKKLHQUTL-QGZVFWFLSA-N 1 0 386.515 3.893 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000179909061 861842507 /nfs/dbraw/zinc/84/25/07/861842507.db2.gz YZGDMKDGJVNXJK-UHFFFAOYSA-N 1 0 391.515 3.892 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000277766686 847910838 /nfs/dbraw/zinc/91/08/38/847910838.db2.gz DLXPXJLPJXAJKD-UHFFFAOYSA-N 1 0 379.426 3.571 20 30 GHEDRO COc1ccc([C@H](NCCSCc2ccccc2C#N)[C@@H]2CCC[NH2+]2)cc1 ZINC000422998959 847931939 /nfs/dbraw/zinc/93/19/39/847931939.db2.gz XDLPMHZELURDTP-VXKWHMMOSA-N 1 0 381.545 3.883 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ncc(Br)s3)CC2)cc1 ZINC000782353605 848061862 /nfs/dbraw/zinc/06/18/62/848061862.db2.gz CDIPODDYFZOWAX-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509160463 861895916 /nfs/dbraw/zinc/89/59/16/861895916.db2.gz HPVKQYUIWMLCOU-FQEVSTJZSA-N 1 0 385.471 3.763 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1OC ZINC000623753418 861906570 /nfs/dbraw/zinc/90/65/70/861906570.db2.gz YLVVCVIPYWIVHQ-GDBMZVCRSA-N 1 0 382.298 3.680 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)CCC(C)(C)C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000582873129 848609167 /nfs/dbraw/zinc/60/91/67/848609167.db2.gz MSSLJYKJIOZZKI-PKOBYXMFSA-N 1 0 379.570 3.611 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000582908835 848680646 /nfs/dbraw/zinc/68/06/46/848680646.db2.gz JHYVBFGRXQWKHD-IIBYNOLFSA-N 1 0 379.479 3.612 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000582908834 848681062 /nfs/dbraw/zinc/68/10/62/848681062.db2.gz JHYVBFGRXQWKHD-IERDGZPVSA-N 1 0 379.479 3.612 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000582944078 848745821 /nfs/dbraw/zinc/74/58/21/848745821.db2.gz FBVTVAAVAAWLNW-UHFFFAOYSA-N 1 0 388.471 3.983 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237897237 848780417 /nfs/dbraw/zinc/78/04/17/848780417.db2.gz XWVNXCDUNPCHJR-UHFFFAOYSA-N 1 0 382.426 3.874 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329660622 861965261 /nfs/dbraw/zinc/96/52/61/861965261.db2.gz IIXFWGKEYLOSJD-DEPCRRQNSA-N 1 0 385.556 3.691 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000583125984 849124213 /nfs/dbraw/zinc/12/42/13/849124213.db2.gz ONVKQWGXVJJLBM-GOSISDBHSA-N 1 0 390.535 3.703 20 30 GHEDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000573146106 849213387 /nfs/dbraw/zinc/21/33/87/849213387.db2.gz LXWBUBPANFNFEW-ZWKOTPCHSA-N 1 0 378.398 3.803 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc(OC)c1OC ZINC000732002481 861999104 /nfs/dbraw/zinc/99/91/04/861999104.db2.gz RRMJCOCAIREIRV-QGZVFWFLSA-N 1 0 382.504 3.683 20 30 GHEDRO N#CC[C@@H](CC(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccccc1 ZINC000475023076 862000904 /nfs/dbraw/zinc/00/09/04/862000904.db2.gz MDGWEZAKAAZJPD-NRFANRHFSA-N 1 0 377.488 3.587 20 30 GHEDRO N#CCSc1ccccc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000728555469 849400307 /nfs/dbraw/zinc/40/03/07/849400307.db2.gz GPQJGTPGDOTTMQ-LJQANCHMSA-N 1 0 379.529 3.597 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162742684 849423500 /nfs/dbraw/zinc/42/35/00/849423500.db2.gz FNIAQEPNXBRCKY-SFHVURJKSA-N 1 0 381.520 3.866 20 30 GHEDRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000155475338 849537093 /nfs/dbraw/zinc/53/70/93/849537093.db2.gz YJUKHGGSVIWQTA-HXUWFJFHSA-N 1 0 378.520 3.661 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H]([NH+](CC)CC)C2)c1=S ZINC000161662438 849669501 /nfs/dbraw/zinc/66/95/01/849669501.db2.gz NLKMJMSFYIUHKY-GOSISDBHSA-N 1 0 385.581 3.949 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(-c4cccnc4)c3)C2=O)cc1 ZINC000503932495 849780250 /nfs/dbraw/zinc/78/02/50/849780250.db2.gz URWGPFPDDOCWJV-QHCPKHFHSA-N 1 0 382.467 3.905 20 30 GHEDRO C[NH+](C)CC1(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCC1 ZINC000439530931 850061609 /nfs/dbraw/zinc/06/16/09/850061609.db2.gz UXLBOKWSZJIRLA-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO C=CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(C#N)c1 ZINC000435133427 850114898 /nfs/dbraw/zinc/11/48/98/850114898.db2.gz BBYRNNOZBFMUTN-UHFFFAOYSA-N 1 0 382.471 3.919 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000424069149 850184314 /nfs/dbraw/zinc/18/43/14/850184314.db2.gz OTKFLQZRPAWULL-AWEZNQCLSA-N 1 0 382.411 3.712 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000514702059 850190419 /nfs/dbraw/zinc/19/04/19/850190419.db2.gz KEQJMAFGXWVHPX-KRWDZBQOSA-N 1 0 392.933 3.812 20 30 GHEDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@H]1CCC[NH2+]C1 ZINC000514721976 850213815 /nfs/dbraw/zinc/21/38/15/850213815.db2.gz LCJGFHCLKQNJGQ-JKSBSHDWSA-N 1 0 376.504 3.974 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)COc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000518864809 850242963 /nfs/dbraw/zinc/24/29/63/850242963.db2.gz YNWPJBULXIPONM-GOSISDBHSA-N 1 0 377.488 3.717 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC000908695589 850275135 /nfs/dbraw/zinc/27/51/35/850275135.db2.gz QYUWSACMCNNDQA-QTEQDKRBSA-N 1 0 393.535 3.515 20 30 GHEDRO Cc1cc(NC(=O)Cc2ccc(C#N)cc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435272764 850293683 /nfs/dbraw/zinc/29/36/83/850293683.db2.gz SWBOUGYQTVGISS-JOCHJYFZSA-N 1 0 399.498 3.691 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)c1 ZINC000506663048 850321624 /nfs/dbraw/zinc/32/16/24/850321624.db2.gz VFTPVLRFDOABRY-UHFFFAOYSA-N 1 0 394.482 3.614 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180419283 862130726 /nfs/dbraw/zinc/13/07/26/862130726.db2.gz ODFDVDMOHFZFOZ-QGZVFWFLSA-N 1 0 380.448 3.809 20 30 GHEDRO Cc1cccc2[nH]cc(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c21 ZINC000504979320 850499633 /nfs/dbraw/zinc/49/96/33/850499633.db2.gz NIPYSOCOPLUNRS-UHFFFAOYSA-N 1 0 386.499 3.625 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1Cl ZINC000425376334 850499844 /nfs/dbraw/zinc/49/98/44/850499844.db2.gz XDGHJQBXKVBONL-FQEVSTJZSA-N 1 0 379.928 3.952 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000515015717 850597048 /nfs/dbraw/zinc/59/70/48/850597048.db2.gz VLDAMNZKAQAAOG-QHCPKHFHSA-N 1 0 391.515 3.591 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000415006996 850612652 /nfs/dbraw/zinc/61/26/52/850612652.db2.gz CFQJAEOWNSWRHM-FQEVSTJZSA-N 1 0 384.524 3.530 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481746363 862153587 /nfs/dbraw/zinc/15/35/87/862153587.db2.gz QLNLNTMCIWLVRR-KZULUSFZSA-N 1 0 396.304 3.637 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3c(F)cccc3C#N)cc2)CC1 ZINC000505228930 850738376 /nfs/dbraw/zinc/73/83/76/850738376.db2.gz DFZNKNZPYZYFOK-UHFFFAOYSA-N 1 0 379.479 3.788 20 30 GHEDRO C[C@H](NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1)C1=CC[N@H+](C)CC1 ZINC000329707366 862164095 /nfs/dbraw/zinc/16/40/95/862164095.db2.gz LODIYGUPFUKDKS-HOCLYGCPSA-N 1 0 385.537 3.515 20 30 GHEDRO CCCc1c(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000440080957 850770126 /nfs/dbraw/zinc/77/01/26/850770126.db2.gz ZXZNZZYNCGCCSA-ULQDDVLXSA-N 1 0 379.508 3.896 20 30 GHEDRO C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000425405245 850810478 /nfs/dbraw/zinc/81/04/78/850810478.db2.gz XRZDJBZTTNUFEQ-MSOLQXFVSA-N 1 0 376.504 3.707 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435743451 850830284 /nfs/dbraw/zinc/83/02/84/850830284.db2.gz RZXREPNSHFPMKH-KSSFIOAISA-N 1 0 376.298 3.910 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000555920889 862180130 /nfs/dbraw/zinc/18/01/30/862180130.db2.gz HAGPUMJEROTQDP-UHFFFAOYSA-N 1 0 391.353 3.929 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ncc(C#N)cc1Cl ZINC000513910335 851012743 /nfs/dbraw/zinc/01/27/43/851012743.db2.gz ZQPVLZDUHHWDLB-SFHVURJKSA-N 1 0 382.895 3.637 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3ccc(Br)cc3C2)CC1 ZINC000515439549 851019430 /nfs/dbraw/zinc/01/94/30/851019430.db2.gz BVBLFNLABUCTBJ-UHFFFAOYSA-N 1 0 392.341 3.557 20 30 GHEDRO CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000435945449 851032601 /nfs/dbraw/zinc/03/26/01/851032601.db2.gz VEDMZWXRILSUNT-YLJYHZDGSA-N 1 0 394.519 3.864 20 30 GHEDRO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000522634725 862206895 /nfs/dbraw/zinc/20/68/95/862206895.db2.gz JDABORBRHMRILN-KRWDZBQOSA-N 1 0 381.863 3.970 20 30 GHEDRO CC(C)[N@H+](C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000604474583 862218222 /nfs/dbraw/zinc/21/82/22/862218222.db2.gz XAMIFBATLWJWBL-UHFFFAOYSA-N 1 0 396.438 3.903 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1 ZINC000604482130 862223894 /nfs/dbraw/zinc/22/38/94/862223894.db2.gz AROSVMCILJBRRW-DYESRHJHSA-N 1 0 379.504 3.798 20 30 GHEDRO C[C@H]1C[C@H]1c1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1 ZINC000604482131 862224905 /nfs/dbraw/zinc/22/49/05/862224905.db2.gz AROSVMCILJBRRW-LAUBAEHRSA-N 1 0 379.504 3.798 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCN1CCc2ccccc21 ZINC000488220684 851277401 /nfs/dbraw/zinc/27/74/01/851277401.db2.gz UUVCBZLIPRHSMJ-UHFFFAOYSA-N 1 0 397.592 3.647 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000175022322 851308742 /nfs/dbraw/zinc/30/87/42/851308742.db2.gz SNYONFBFMSREFO-UHFFFAOYSA-N 1 0 379.529 3.773 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000505458258 851396437 /nfs/dbraw/zinc/39/64/37/851396437.db2.gz SKAOAWAHPWBYDU-UHFFFAOYSA-N 1 0 392.425 3.720 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000425509365 851444137 /nfs/dbraw/zinc/44/41/37/851444137.db2.gz JNMZTYVCKVHSGK-JKSUJKDBSA-N 1 0 379.298 3.577 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)CC[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000434698298 851486899 /nfs/dbraw/zinc/48/68/99/851486899.db2.gz UWWWKBYSEKWSGK-KRWDZBQOSA-N 1 0 396.487 3.683 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436389331 851548650 /nfs/dbraw/zinc/54/86/50/851548650.db2.gz MHDJXBKWTFNXBN-GOSISDBHSA-N 1 0 385.512 3.683 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000180640817 862262676 /nfs/dbraw/zinc/26/26/76/862262676.db2.gz JXVYSQSLIHYXNJ-XLIONFOSSA-N 1 0 393.487 3.834 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1F ZINC000133878317 851819214 /nfs/dbraw/zinc/81/92/14/851819214.db2.gz CDPLBAAVISIGDL-INIZCTEOSA-N 1 0 398.457 3.815 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604536094 862287522 /nfs/dbraw/zinc/28/75/22/862287522.db2.gz PRVKWOPTDNLFLW-QHCPKHFHSA-N 1 0 390.531 3.850 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000488862758 851833520 /nfs/dbraw/zinc/83/35/20/851833520.db2.gz STONHQLSCAKWFH-UHFFFAOYSA-N 1 0 394.475 3.587 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000111859358 851948636 /nfs/dbraw/zinc/94/86/36/851948636.db2.gz BZZVZOXZQLFMTC-OXQOHEQNSA-N 1 0 391.943 3.852 20 30 GHEDRO C=CCn1cccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000489043517 851963388 /nfs/dbraw/zinc/96/33/88/851963388.db2.gz JJYMFIHQJVQLGQ-UHFFFAOYSA-N 1 0 379.426 3.897 20 30 GHEDRO C#CCN(C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000732471937 862308124 /nfs/dbraw/zinc/30/81/24/862308124.db2.gz IGYMSKYDSGASEY-UHFFFAOYSA-N 1 0 383.536 3.639 20 30 GHEDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329770988 862313213 /nfs/dbraw/zinc/31/32/13/862313213.db2.gz JITSFYLMRRZFOF-FGZHOGPDSA-N 1 0 385.552 3.616 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000608061417 852122507 /nfs/dbraw/zinc/12/25/07/852122507.db2.gz AFSCVECIPOBIMN-HIFRSBDPSA-N 1 0 383.330 3.595 20 30 GHEDRO C[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000517626256 852168181 /nfs/dbraw/zinc/16/81/81/852168181.db2.gz YRVWTRVCOYLKBY-RTBURBONSA-N 1 0 377.271 3.834 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000473588854 852271522 /nfs/dbraw/zinc/27/15/22/852271522.db2.gz DEGYWQBFXRHDMF-IEBWSBKVSA-N 1 0 384.442 3.625 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000516417225 852513925 /nfs/dbraw/zinc/51/39/25/852513925.db2.gz QVXNERBDSUGMHD-CTAFRAEOSA-N 1 0 379.529 3.923 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000329855673 862375857 /nfs/dbraw/zinc/37/58/57/862375857.db2.gz UFKDVJFEUQOCKV-HNNXBMFYSA-N 1 0 399.564 3.871 20 30 GHEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438622183 852639657 /nfs/dbraw/zinc/63/96/57/852639657.db2.gz AFZWELYJQAXRHR-UHFFFAOYSA-N 1 0 398.429 3.588 20 30 GHEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000490047724 852734265 /nfs/dbraw/zinc/73/42/65/852734265.db2.gz FNAFUGOYMBRFBC-MRXNPFEDSA-N 1 0 377.897 3.921 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)on2)c1 ZINC000437842072 852737154 /nfs/dbraw/zinc/73/71/54/852737154.db2.gz OSCRICGHOOSVIP-IBGZPJMESA-N 1 0 378.476 3.740 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@H]1C ZINC000437104514 852740492 /nfs/dbraw/zinc/74/04/92/852740492.db2.gz FWMSQWWQPYUGKU-NPIXYEKSSA-N 1 0 385.508 3.601 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1)C1CC1 ZINC000329882230 862393448 /nfs/dbraw/zinc/39/34/48/862393448.db2.gz PPZHITHKEANCOG-JTHBVZDNSA-N 1 0 381.520 3.738 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 ZINC000506360666 852867076 /nfs/dbraw/zinc/86/70/76/852867076.db2.gz DTJLPXOXWGHSAG-UHFFFAOYSA-N 1 0 377.460 3.859 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000507486156 852966110 /nfs/dbraw/zinc/96/61/10/852966110.db2.gz ONTCPOZDQNYCDL-HOTGVXAUSA-N 1 0 383.517 3.975 20 30 GHEDRO Cc1ccc([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)c(C)c1 ZINC000329910230 862417143 /nfs/dbraw/zinc/41/71/43/862417143.db2.gz NBUKOVLVKCNXIJ-PTUXOGIPSA-N 1 0 399.579 3.775 20 30 GHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000669059207 853025545 /nfs/dbraw/zinc/02/55/45/853025545.db2.gz MXIIWGWSQKQSPG-HXUWFJFHSA-N 1 0 389.588 3.524 20 30 GHEDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429651345 853028431 /nfs/dbraw/zinc/02/84/31/853028431.db2.gz IHUQDSAJQCWUJM-UHFFFAOYSA-N 1 0 393.535 3.800 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCCC4=O)c(F)c3)CC2)cc1 ZINC000543760455 853048171 /nfs/dbraw/zinc/04/81/71/853048171.db2.gz LHQNVYMVYFOEIE-UHFFFAOYSA-N 1 0 392.478 3.901 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCNc2nccc(C(F)(F)F)n2)CC1 ZINC000507603840 853096951 /nfs/dbraw/zinc/09/69/51/853096951.db2.gz SNECQOHECXXJSF-UHFFFAOYSA-N 1 0 389.425 3.901 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437412650 853106520 /nfs/dbraw/zinc/10/65/20/853106520.db2.gz QSXOEWQFWWDBTN-WMLDXEAASA-N 1 0 379.451 3.676 20 30 GHEDRO Cc1nnc(CNC(N[C@@H](C)c2ccccc2)=[NH+]C2CCC(C)(C)CC2)n1C ZINC000261963047 853131271 /nfs/dbraw/zinc/13/12/71/853131271.db2.gz KUDRHIUTXXDSMO-INIZCTEOSA-N 1 0 382.556 3.889 20 30 GHEDRO C=CCOc1c(Br)cc(CNC[C@H](CC)[NH+]2CCCC2)cc1OC ZINC000518269839 853143364 /nfs/dbraw/zinc/14/33/64/853143364.db2.gz OQMWCCVPPDVYGA-INIZCTEOSA-N 1 0 397.357 3.987 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000139997179 853166277 /nfs/dbraw/zinc/16/62/77/853166277.db2.gz DIHKUGZFBASWGC-LJQANCHMSA-N 1 0 399.585 3.881 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000180973224 862436121 /nfs/dbraw/zinc/43/61/21/862436121.db2.gz KDMJNLWAWIUXPG-CQSZACIVSA-N 1 0 383.414 3.621 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000437500712 853204194 /nfs/dbraw/zinc/20/41/94/853204194.db2.gz MUDDFRFVJPGAAD-HBFSDRIKSA-N 1 0 396.453 3.538 20 30 GHEDRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000507715906 853220336 /nfs/dbraw/zinc/22/03/36/853220336.db2.gz FSCYYPYQKKMFTE-INIZCTEOSA-N 1 0 398.457 3.544 20 30 GHEDRO CCN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473875200 853267153 /nfs/dbraw/zinc/26/71/53/853267153.db2.gz JMDJLVNYEZVODB-XMSQKQJNSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057348 853430258 /nfs/dbraw/zinc/43/02/58/853430258.db2.gz LGAMCPFEGMLBBM-GMAHTHKFSA-N 1 0 386.580 3.743 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000437702810 853438818 /nfs/dbraw/zinc/43/88/18/853438818.db2.gz NQXFTXZXJFJBAZ-IFMALSPDSA-N 1 0 385.552 3.843 20 30 GHEDRO COc1ccc(COCC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000586783609 853545408 /nfs/dbraw/zinc/54/54/08/853545408.db2.gz SXHDXDNMYSCBMO-UHFFFAOYSA-N 1 0 384.451 3.766 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000587185761 853648455 /nfs/dbraw/zinc/64/84/55/853648455.db2.gz YJGSQBBZLWABID-UHFFFAOYSA-N 1 0 379.895 3.880 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccc(C#N)o4)n3)cc2Cl)CC1 ZINC000426402208 853704165 /nfs/dbraw/zinc/70/41/65/853704165.db2.gz BVIPHURSBVWPOX-UHFFFAOYSA-N 1 0 383.839 3.664 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(Cc3ccc(C#N)cc3)n2)cc1 ZINC000571012181 853714283 /nfs/dbraw/zinc/71/42/83/853714283.db2.gz UJUTVRZIQLDQRF-UHFFFAOYSA-N 1 0 376.460 3.920 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCCC[C@@H]1C ZINC000055362589 853799171 /nfs/dbraw/zinc/79/91/71/853799171.db2.gz ZKISIHOGOBKVHX-IRXDYDNUSA-N 1 0 381.476 3.723 20 30 GHEDRO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000441065840 853866603 /nfs/dbraw/zinc/86/66/03/853866603.db2.gz RPQGELINYAECJV-AYCKEJKLSA-N 1 0 387.527 3.874 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000330020560 862513587 /nfs/dbraw/zinc/51/35/87/862513587.db2.gz WPVZCFGMSOCZFB-UHFFFAOYSA-N 1 0 378.517 3.801 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000151392492 853928209 /nfs/dbraw/zinc/92/82/09/853928209.db2.gz LMTIXFZKQLYHGA-QGZVFWFLSA-N 1 0 383.517 3.584 20 30 GHEDRO N#CC1CCC(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000441150995 853950634 /nfs/dbraw/zinc/95/06/34/853950634.db2.gz SSPGQZFKIQGXIK-UHYCVJNDSA-N 1 0 393.453 3.887 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000186955709 862516517 /nfs/dbraw/zinc/51/65/17/862516517.db2.gz DHEKJKCCENGVRM-UHFFFAOYSA-O 1 0 395.508 3.696 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000481924536 862531960 /nfs/dbraw/zinc/53/19/60/862531960.db2.gz LHDNVZKPQIIZOQ-ZHRRBRCNSA-N 1 0 397.544 3.927 20 30 GHEDRO CCCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(C#N)cc1 ZINC000047740011 862532699 /nfs/dbraw/zinc/53/26/99/862532699.db2.gz ZUYKGZCOEFAHSU-UHFFFAOYSA-N 1 0 390.487 3.536 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2Cl)s1 ZINC000571828382 854150383 /nfs/dbraw/zinc/15/03/83/854150383.db2.gz RXXKWWIRNOKDOE-IJLUTSLNSA-N 1 0 391.928 3.939 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000520387614 854159506 /nfs/dbraw/zinc/15/95/06/854159506.db2.gz YOASOXVXNDILSQ-XLIONFOSSA-N 1 0 385.533 3.602 20 30 GHEDRO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520391503 854166436 /nfs/dbraw/zinc/16/64/36/854166436.db2.gz VMEGNADBHZBSCW-FQEVSTJZSA-N 1 0 386.455 3.560 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)cc2)CC1 ZINC000550334951 854237622 /nfs/dbraw/zinc/23/76/22/854237622.db2.gz VRRGWMZWMDZEFX-UHFFFAOYSA-N 1 0 379.464 3.893 20 30 GHEDRO N#Cc1ccnc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000550341130 854257567 /nfs/dbraw/zinc/25/75/67/854257567.db2.gz HGMIMAAPXUTMRL-UHFFFAOYSA-N 1 0 383.499 3.888 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000164746151 854280097 /nfs/dbraw/zinc/28/00/97/854280097.db2.gz HKFVMXZTZWAGMY-HOTGVXAUSA-N 1 0 389.594 3.702 20 30 GHEDRO CN1Cc2ccccc2[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000588315324 854285022 /nfs/dbraw/zinc/28/50/22/854285022.db2.gz IOSQCZVFIXIXTK-KRWDZBQOSA-N 1 0 385.265 3.629 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000330078640 862559112 /nfs/dbraw/zinc/55/91/12/862559112.db2.gz FQTHAMXHXIJNJC-UHFFFAOYSA-N 1 0 396.413 3.626 20 30 GHEDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000330076750 862557265 /nfs/dbraw/zinc/55/72/65/862557265.db2.gz HDESUNYKKKOJKW-UHFFFAOYSA-N 1 0 390.572 3.549 20 30 GHEDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)oc21 ZINC000572324314 854465671 /nfs/dbraw/zinc/46/56/71/854465671.db2.gz RCCLIWXAYGCPFZ-LPHOPBHVSA-N 1 0 394.471 3.988 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(F)c1 ZINC000572398774 854477873 /nfs/dbraw/zinc/47/78/73/854477873.db2.gz AROFHQKIZKLXNH-SFHVURJKSA-N 1 0 383.442 3.755 20 30 GHEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000328605348 854481029 /nfs/dbraw/zinc/48/10/29/854481029.db2.gz JMYFWWGNHUVGCH-RBSFLKMASA-N 1 0 386.462 3.869 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2ncc(C3CCCCC3)s2)CC[N@@H+]1CC(C)(C)O ZINC000328615808 854483467 /nfs/dbraw/zinc/48/34/67/854483467.db2.gz RYGKZSBMTJVDQZ-AWEZNQCLSA-N 1 0 380.558 3.513 20 30 GHEDRO Cc1oc(-c2cnn(C)c2)nc1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328725103 854504659 /nfs/dbraw/zinc/50/46/59/854504659.db2.gz TUQCGCQPMJBMQG-UHFFFAOYSA-N 1 0 385.512 3.734 20 30 GHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330098650 862572170 /nfs/dbraw/zinc/57/21/70/862572170.db2.gz CDSZPMORPWTBFR-AQWHGDEOSA-N 1 0 376.541 3.570 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C[C@H]1C ZINC000330096931 862572610 /nfs/dbraw/zinc/57/26/10/862572610.db2.gz ADWYBRORUAJQNC-QZTJIDSGSA-N 1 0 386.540 3.581 20 30 GHEDRO COc1ccc2occ(C(=O)NCC3([NH+]4CCCCC4)CCN(C)CC3)c2c1 ZINC000328690750 854511047 /nfs/dbraw/zinc/51/10/47/854511047.db2.gz DPQBQGYFNLIEIL-UHFFFAOYSA-N 1 0 385.508 3.696 20 30 GHEDRO Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[N@H+](CC3CCCCC3)CC1)CCC2 ZINC000328697552 854513361 /nfs/dbraw/zinc/51/33/61/854513361.db2.gz HFNVUPSPZPNCEH-FQEVSTJZSA-N 1 0 387.572 3.571 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cn21 ZINC000328711937 854518590 /nfs/dbraw/zinc/51/85/90/854518590.db2.gz BHRVKPRBDCGSPH-SFHVURJKSA-N 1 0 398.555 3.842 20 30 GHEDRO C[C@H](NC(=O)c1cccs1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328712312 854518719 /nfs/dbraw/zinc/51/87/19/854518719.db2.gz NJCKSDAJWWJSJV-INIZCTEOSA-N 1 0 377.554 3.869 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1coc(C2CCCCC2)n1 ZINC000328752200 854528416 /nfs/dbraw/zinc/52/84/16/854528416.db2.gz RJJIVTZPCBEWNA-MOPGFXCFSA-N 1 0 375.513 3.795 20 30 GHEDRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328764255 854533394 /nfs/dbraw/zinc/53/33/94/854533394.db2.gz ZXLHWKHLNMSTIZ-MRXNPFEDSA-N 1 0 383.945 3.739 20 30 GHEDRO CN1CC[C@H](NC(=O)NCC2(CCO)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328826948 854552824 /nfs/dbraw/zinc/55/28/24/854552824.db2.gz JLZWTVZPGCLAJN-ROUUACIJSA-N 1 0 397.922 3.671 20 30 GHEDRO CC(C)Cn1ncc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1C(F)F ZINC000328847330 854575175 /nfs/dbraw/zinc/57/51/75/854575175.db2.gz SLDYEKYSGQTPBQ-HNNXBMFYSA-N 1 0 383.487 3.686 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000669309278 854581572 /nfs/dbraw/zinc/58/15/72/854581572.db2.gz FJNHVFXBTDEUJV-OAQYLSRUSA-N 1 0 397.567 3.631 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(N(C)C)nc2)CC1 ZINC000330112988 862583601 /nfs/dbraw/zinc/58/36/01/862583601.db2.gz RYOKIOHTFWSYFM-SFHVURJKSA-N 1 0 387.572 3.538 20 30 GHEDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588979043 854625061 /nfs/dbraw/zinc/62/50/61/854625061.db2.gz WAPRVXGYADGQJF-FQEVSTJZSA-N 1 0 393.531 3.832 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1c[nH]c3ncccc13)c1ccccc1O2 ZINC000328997741 854645616 /nfs/dbraw/zinc/64/56/16/854645616.db2.gz KFDITYBDDDSMOX-SFHVURJKSA-N 1 0 376.460 3.856 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c(F)cc1C ZINC000330582592 854704615 /nfs/dbraw/zinc/70/46/15/854704615.db2.gz UVTWVOOVNIDSKW-GJZGRUSLSA-N 1 0 379.476 3.661 20 30 GHEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000330125698 862595564 /nfs/dbraw/zinc/59/55/64/862595564.db2.gz BSBFWULJOMFRLQ-JXOCDABTSA-N 1 0 394.519 3.840 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1Cl ZINC000131520615 854765910 /nfs/dbraw/zinc/76/59/10/854765910.db2.gz NXWWGISFQVDUBC-UHFFFAOYSA-N 1 0 384.823 3.507 20 30 GHEDRO Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1NC(=O)NC(C)(C)C ZINC000330896051 854778346 /nfs/dbraw/zinc/77/83/46/854778346.db2.gz LDLPVRLULGYAKT-SFHVURJKSA-N 1 0 388.556 3.875 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c(OC)n1 ZINC000589327528 854793020 /nfs/dbraw/zinc/79/30/20/854793020.db2.gz MYUNTXPPZPJMCC-UHFFFAOYSA-N 1 0 389.455 3.839 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)ccc1C#N ZINC000589345511 854800702 /nfs/dbraw/zinc/80/07/02/854800702.db2.gz IHIANTZJUUQWOM-INIZCTEOSA-N 1 0 391.471 3.511 20 30 GHEDRO CCNC(=O)N(C)c1cccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000331196733 854824669 /nfs/dbraw/zinc/82/46/69/854824669.db2.gz NWJGYPXSBFFREI-UHFFFAOYSA-N 1 0 375.517 3.503 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000331307977 854840770 /nfs/dbraw/zinc/84/07/70/854840770.db2.gz WQUMBCWQIGLINZ-UHFFFAOYSA-N 1 0 384.274 3.784 20 30 GHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589497642 854910214 /nfs/dbraw/zinc/91/02/14/854910214.db2.gz YTLGDJRWLVXGQD-IRXDYDNUSA-N 1 0 394.485 3.567 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589497641 854910384 /nfs/dbraw/zinc/91/03/84/854910384.db2.gz YTLGDJRWLVXGQD-IAGOWNOFSA-N 1 0 394.485 3.567 20 30 GHEDRO Cc1nc(-c2ccc(C)c(NC(=O)N3CC[NH+](C4CCCCC4)CC3)c2)n[nH]1 ZINC000330153722 862621587 /nfs/dbraw/zinc/62/15/87/862621587.db2.gz MYDNIIROHUMAOO-UHFFFAOYSA-N 1 0 382.512 3.584 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC1CC1)C1CCCCC1 ZINC000669334637 855032034 /nfs/dbraw/zinc/03/20/34/855032034.db2.gz JKUGUACODWZHER-RTWAWAEBSA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H](C2CCCCC2)C1 ZINC000669335933 855041132 /nfs/dbraw/zinc/04/11/32/855041132.db2.gz RIVXRHLDRMPDRS-NJYVYQBISA-N 1 0 399.583 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(Cc1ccccc1)C1CC1 ZINC000669335766 855043715 /nfs/dbraw/zinc/04/37/15/855043715.db2.gz XIVOSQIUYMQQCA-RTWAWAEBSA-N 1 0 393.535 3.559 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1 ZINC000106035070 855170764 /nfs/dbraw/zinc/17/07/64/855170764.db2.gz TXMOHRKZCPTLBA-UHFFFAOYSA-N 1 0 391.515 3.734 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000330190510 862649429 /nfs/dbraw/zinc/64/94/29/862649429.db2.gz WEAPXODTXKQWLP-HUUCEWRRSA-N 1 0 380.558 3.534 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1 ZINC000106323299 855217681 /nfs/dbraw/zinc/21/76/81/855217681.db2.gz CPWBLSIAVVLLEX-UHFFFAOYSA-N 1 0 398.551 3.911 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)[C@@H]2C1 ZINC000590045668 855249076 /nfs/dbraw/zinc/24/90/76/855249076.db2.gz SVKKBOGXAPLJQJ-DNVCBOLYSA-N 1 0 381.863 3.780 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c2c1c(C)n[nH]c2=O ZINC000590121289 855288269 /nfs/dbraw/zinc/28/82/69/855288269.db2.gz APZJNXCUKSUFBJ-MRXNPFEDSA-N 1 0 393.447 3.509 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Br)c1)C(=O)NC1(C#N)CCCCC1 ZINC000590193370 855316521 /nfs/dbraw/zinc/31/65/21/855316521.db2.gz PJQHJQJOHLZUBS-CHWSQXEVSA-N 1 0 396.304 3.970 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000590194700 855316913 /nfs/dbraw/zinc/31/69/13/855316913.db2.gz HSLFBNITXSVGTI-BWACUDIHSA-N 1 0 384.293 3.682 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)n2)CC1 ZINC000330215119 862667853 /nfs/dbraw/zinc/66/78/53/862667853.db2.gz MEHOCNXJVJKADJ-LJQANCHMSA-N 1 0 387.503 3.824 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C3CCOCC3)CC2)c1C ZINC000153627725 855348509 /nfs/dbraw/zinc/34/85/09/855348509.db2.gz ONLDWQRLHBMBLQ-UHFFFAOYSA-N 1 0 383.536 3.689 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000590532408 855485995 /nfs/dbraw/zinc/48/59/95/855485995.db2.gz WTNMIKHWDYPSCG-HXUWFJFHSA-N 1 0 379.529 3.731 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@H]2CCCOC2)c1C#N ZINC000107688636 855517075 /nfs/dbraw/zinc/51/70/75/855517075.db2.gz KLSPDIJDRQEPFX-GOSISDBHSA-N 1 0 386.540 3.779 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)CCNC(=O)C3CCCCC3)C1)CCCC2 ZINC000330246638 862691213 /nfs/dbraw/zinc/69/12/13/862691213.db2.gz FGYJOGPNAOIEHU-GOSISDBHSA-N 1 0 386.540 3.771 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cnc(-c4ccccc4F)s3)CC2)nc1 ZINC000590644510 855530485 /nfs/dbraw/zinc/53/04/85/855530485.db2.gz QUDITBWFMSLJNC-UHFFFAOYSA-N 1 0 393.491 3.974 20 30 GHEDRO CCC[C@H]1CN(c2nc3c(cc2C#N)COCC3)CC[N@@H+]1Cc1ccccc1 ZINC000590696243 855551668 /nfs/dbraw/zinc/55/16/68/855551668.db2.gz UVAUUUGVSYRMDQ-NRFANRHFSA-N 1 0 376.504 3.517 20 30 GHEDRO N#Cc1cc(N2CCC[N@H+](Cc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301327133 855666098 /nfs/dbraw/zinc/66/60/98/855666098.db2.gz BJRRCOBFYCVVBU-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000573009996 855686906 /nfs/dbraw/zinc/68/69/06/855686906.db2.gz FKWDNYQXFOJEEE-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000301621209 855728580 /nfs/dbraw/zinc/72/85/80/855728580.db2.gz FFUGYCPCTVVIGH-HZPDHXFCSA-N 1 0 379.464 3.951 20 30 GHEDRO Cc1ccnc([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000574700719 855743168 /nfs/dbraw/zinc/74/31/68/855743168.db2.gz HUUWHKBLQZFDQN-OAHLLOKOSA-N 1 0 380.517 3.630 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](Nc3ccc(C#N)cc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000302041563 855806547 /nfs/dbraw/zinc/80/65/47/855806547.db2.gz LPNKIMUQKSDPAZ-PZJWPPBQSA-N 1 0 378.432 3.865 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000192661047 855833285 /nfs/dbraw/zinc/83/32/85/855833285.db2.gz GPPDRDSJAJPFSX-ZIAGYGMSSA-N 1 0 378.314 3.831 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000302225423 855842249 /nfs/dbraw/zinc/84/22/49/855842249.db2.gz VIWYHSHKRNCXAW-HZPDHXFCSA-N 1 0 380.448 3.688 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000157241898 855863099 /nfs/dbraw/zinc/86/30/99/855863099.db2.gz OMLORSHHFRAIAB-NRFANRHFSA-N 1 0 382.552 3.500 20 30 GHEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1C#N ZINC000302417169 855864175 /nfs/dbraw/zinc/86/41/75/855864175.db2.gz IBOHCWKYKRTLID-FQEVSTJZSA-N 1 0 389.421 3.650 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC000554249786 855865218 /nfs/dbraw/zinc/86/52/18/855865218.db2.gz LIBSGPPVWSJCRR-SFHVURJKSA-N 1 0 388.870 3.798 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cn2)c1 ZINC000591276840 855879269 /nfs/dbraw/zinc/87/92/69/855879269.db2.gz BFDLSSXSLLPASP-WKILWMFISA-N 1 0 379.464 3.632 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108682591 855980320 /nfs/dbraw/zinc/98/03/20/855980320.db2.gz SJXDKWPPWJEAJC-XQBPLPMBSA-N 1 0 385.552 3.836 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000022463807 856007052 /nfs/dbraw/zinc/00/70/52/856007052.db2.gz VXKWQPLDYBZTDZ-HXUWFJFHSA-N 1 0 380.488 3.827 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)CC1 ZINC000520693566 856042134 /nfs/dbraw/zinc/04/21/34/856042134.db2.gz FBUVOXVABPHSON-UHFFFAOYSA-N 1 0 397.563 3.948 20 30 GHEDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000554748929 856063292 /nfs/dbraw/zinc/06/32/92/856063292.db2.gz DZYJITSORQKGGC-VFNWGFHPSA-N 1 0 389.565 3.558 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1Cl ZINC000303511552 856100837 /nfs/dbraw/zinc/10/08/37/856100837.db2.gz CJZLARIYYNYVBD-OAQYLSRUSA-N 1 0 397.906 3.912 20 30 GHEDRO C=CCCOCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605103221 862759215 /nfs/dbraw/zinc/75/92/15/862759215.db2.gz LYCQDEXZFFARLL-QFBILLFUSA-N 1 0 384.442 3.797 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1F ZINC000404568171 856132791 /nfs/dbraw/zinc/13/27/91/856132791.db2.gz FLPCYIHXOOYKTB-UHFFFAOYSA-N 1 0 391.240 3.911 20 30 GHEDRO Fc1ccc(N2CCC[N@H+](CCOCC(F)(F)C(F)(F)F)CC2)cc1F ZINC000573450768 856132837 /nfs/dbraw/zinc/13/28/37/856132837.db2.gz FQITWBOYKSDEOZ-UHFFFAOYSA-N 1 0 388.327 3.691 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000579586390 856149077 /nfs/dbraw/zinc/14/90/77/856149077.db2.gz MWEVWXWMPXTFBS-IEBWSBKVSA-N 1 0 395.551 3.929 20 30 GHEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000181135806 862766710 /nfs/dbraw/zinc/76/67/10/862766710.db2.gz NOZGCNZUTWFYBL-GGAORHGYSA-N 1 0 397.494 3.762 20 30 GHEDRO C[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000591762937 856229488 /nfs/dbraw/zinc/22/94/88/856229488.db2.gz LBHIFLNQTIEAOQ-BEFAXECRSA-N 1 0 392.421 3.904 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000171720650 856242482 /nfs/dbraw/zinc/24/24/82/856242482.db2.gz POTLGHSTUQSJTJ-UHFFFAOYSA-N 1 0 380.448 3.719 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(-c3ccccc3OCc3ccccc3)no1)C2 ZINC000905304458 856268710 /nfs/dbraw/zinc/26/87/10/856268710.db2.gz MIYFMGIOJYIVEY-FRIYVGAWSA-N 1 0 386.455 3.922 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000182512536 856313623 /nfs/dbraw/zinc/31/36/23/856313623.db2.gz VKMAKAMJDAOHFL-NSHDSACASA-N 1 0 381.354 3.956 20 30 GHEDRO C[N@H+](CCc1cccc(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1)C1CC1 ZINC000485303112 856335127 /nfs/dbraw/zinc/33/51/27/856335127.db2.gz OBRWJTRLRVJKFV-HSZRJFAPSA-N 1 0 388.515 3.802 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000172182891 856365425 /nfs/dbraw/zinc/36/54/25/856365425.db2.gz BIJORCSHISNSDL-OXJNMPFZSA-N 1 0 393.487 3.812 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466611094 862788498 /nfs/dbraw/zinc/78/84/98/862788498.db2.gz SCIKGTQDBGUHLZ-QGZVFWFLSA-N 1 0 387.528 3.786 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Br)cs3)C2=O)cc1 ZINC000485376272 856406625 /nfs/dbraw/zinc/40/66/25/856406625.db2.gz SADPBIJDLQKTTE-INIZCTEOSA-N 1 0 390.306 3.667 20 30 GHEDRO C=CCN(C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)[C@H](C)COC ZINC000665228697 856455330 /nfs/dbraw/zinc/45/53/30/856455330.db2.gz DXAQYFCSDPPYII-MRXNPFEDSA-N 1 0 394.947 3.537 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H](c3cccc(Cl)c3)N3CCCC3)n2c1 ZINC000123280398 856469864 /nfs/dbraw/zinc/46/98/64/856469864.db2.gz HIJGNFYOURTPNK-FQEVSTJZSA-N 1 0 379.895 3.786 20 30 GHEDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214047 862800851 /nfs/dbraw/zinc/80/08/51/862800851.db2.gz YAODJCDCXOCRSV-LBPRGKRZSA-N 1 0 386.215 3.694 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000573835924 856479662 /nfs/dbraw/zinc/47/96/62/856479662.db2.gz ZENWARNZBHUVNT-GPXNEJASSA-N 1 0 394.515 3.558 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Cc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000110304963 856495058 /nfs/dbraw/zinc/49/50/58/856495058.db2.gz IJRXFWAENUVEAK-QFIPXVFZSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000573909096 856606611 /nfs/dbraw/zinc/60/66/11/856606611.db2.gz AYMUEODIVHVPBM-LPHOPBHVSA-N 1 0 393.512 3.967 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485467708 856612614 /nfs/dbraw/zinc/61/26/14/856612614.db2.gz SCKPVHBDKHWEBR-HDICACEKSA-N 1 0 388.577 3.926 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000172831447 856626391 /nfs/dbraw/zinc/62/63/91/856626391.db2.gz PTIQXUBKYCYTNE-LJQANCHMSA-N 1 0 381.476 3.677 20 30 GHEDRO COc1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)CC2 ZINC000760925040 856641664 /nfs/dbraw/zinc/64/16/64/856641664.db2.gz IKVIHGSXHJCBIF-UHFFFAOYSA-N 1 0 391.515 3.660 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)CC1 ZINC000465860598 856664566 /nfs/dbraw/zinc/66/45/66/856664566.db2.gz NGGWCBUWUOKMOU-UHFFFAOYSA-N 1 0 394.519 3.940 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000485496080 856684778 /nfs/dbraw/zinc/68/47/78/856684778.db2.gz VGSPIISOLPDDTF-UHFFFAOYSA-N 1 0 376.566 3.928 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000465871614 856706094 /nfs/dbraw/zinc/70/60/94/856706094.db2.gz ZSCQSGVKWBRYPJ-SFHVURJKSA-N 1 0 390.959 3.649 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc1OC ZINC000508007661 856793606 /nfs/dbraw/zinc/79/36/06/856793606.db2.gz GKBWBYOGLBJIBO-IBGZPJMESA-N 1 0 395.503 3.814 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000592220369 856876287 /nfs/dbraw/zinc/87/62/87/856876287.db2.gz HPBPVKOQFOPMGH-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000592523541 856919365 /nfs/dbraw/zinc/91/93/65/856919365.db2.gz NYEWDJQVUVVMFF-NRFANRHFSA-N 1 0 377.488 3.507 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[NH+](C3CCC3)CC2)c1=S ZINC000733296679 862858013 /nfs/dbraw/zinc/85/80/13/862858013.db2.gz CGKGXPRBPSYJGW-UHFFFAOYSA-N 1 0 387.528 3.534 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1 ZINC000760990354 856991278 /nfs/dbraw/zinc/99/12/78/856991278.db2.gz NRLCOEVZVZCACU-FYJGNVAPSA-N 1 0 394.924 3.914 20 30 GHEDRO C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000485729658 857003326 /nfs/dbraw/zinc/00/33/26/857003326.db2.gz FSKPVEAOCWHLGF-KRWDZBQOSA-N 1 0 379.504 3.872 20 30 GHEDRO N#Cc1cnc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c(Cl)c1 ZINC000428013733 857016524 /nfs/dbraw/zinc/01/65/24/857016524.db2.gz JTPRMVWPAOYGOP-UHFFFAOYSA-N 1 0 382.895 3.913 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000733324756 862865805 /nfs/dbraw/zinc/86/58/05/862865805.db2.gz BALZUJSKCONYFU-HDICACEKSA-N 1 0 382.479 3.741 20 30 GHEDRO C=CCC1([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000668551292 857107730 /nfs/dbraw/zinc/10/77/30/857107730.db2.gz JKGJWCVFOPMZCU-CQSZACIVSA-N 1 0 381.314 3.881 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000245961830 857207646 /nfs/dbraw/zinc/20/76/46/857207646.db2.gz YGTRHJZTEWDXDM-KZNAEPCWSA-N 1 0 377.488 3.658 20 30 GHEDRO Cc1sc([C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000574150614 857237872 /nfs/dbraw/zinc/23/78/72/857237872.db2.gz DNBBKKBCRAHMRK-DYVFJYSZSA-N 1 0 392.956 3.629 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C#N)c1C ZINC000246188750 857274549 /nfs/dbraw/zinc/27/45/49/857274549.db2.gz SUTUELBYXYNOFW-MJGOQNOKSA-N 1 0 386.540 3.539 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCSCCOc2cccc(Br)c2)o1 ZINC000174380315 857278138 /nfs/dbraw/zinc/27/81/38/857278138.db2.gz GREATIDMDWOQLR-UHFFFAOYSA-N 1 0 381.295 3.816 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)[C@@H](C)C1 ZINC000574212224 857290408 /nfs/dbraw/zinc/29/04/08/857290408.db2.gz UGVPURUIOCJVQY-FXAWDEMLSA-N 1 0 380.540 3.639 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675454804 857396249 /nfs/dbraw/zinc/39/62/49/857396249.db2.gz ORNXXEHDZBBXGW-UHFFFAOYSA-N 1 0 379.342 3.929 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000907090496 857477226 /nfs/dbraw/zinc/47/72/26/857477226.db2.gz WIRCCQBBAZBYNK-HXUWFJFHSA-N 1 0 390.487 3.600 20 30 GHEDRO COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000137561596 857509970 /nfs/dbraw/zinc/50/99/70/857509970.db2.gz UNBHRRAIARHFBA-GFCCVEGCSA-N 1 0 375.831 3.818 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)cc1 ZINC000521107823 857626118 /nfs/dbraw/zinc/62/61/18/857626118.db2.gz HFPYZXHUPKAOHF-FCHUYYIVSA-N 1 0 375.472 3.902 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)cc1 ZINC000521107826 857626269 /nfs/dbraw/zinc/62/62/69/857626269.db2.gz HFPYZXHUPKAOHF-YADHBBJMSA-N 1 0 375.472 3.902 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)cc1 ZINC000521107825 857626372 /nfs/dbraw/zinc/62/63/72/857626372.db2.gz HFPYZXHUPKAOHF-VXKWHMMOSA-N 1 0 375.472 3.902 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)CCCCC#N)c1ccc(Br)cn1 ZINC000594014292 857863847 /nfs/dbraw/zinc/86/38/47/857863847.db2.gz PNYUKKYEKVOLMX-UHFFFAOYSA-N 1 0 381.318 3.603 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1F ZINC000466025798 857873150 /nfs/dbraw/zinc/87/31/50/857873150.db2.gz KJLXRTWVGIQYMB-UNMCSNQZSA-N 1 0 394.494 3.869 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000908080944 857921375 /nfs/dbraw/zinc/92/13/75/857921375.db2.gz CXNNGGPCNSGBBX-SFHVURJKSA-N 1 0 384.442 3.797 20 30 GHEDRO CCn1c(Br)c(Br)nc1C[NH2+]CC(C)(C)CCC#N ZINC000922128093 857975740 /nfs/dbraw/zinc/97/57/40/857975740.db2.gz XFOPFZOJBSGWIL-UHFFFAOYSA-N 1 0 392.139 3.848 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000594251719 857999288 /nfs/dbraw/zinc/99/92/88/857999288.db2.gz NZACAPIZYNMRDT-KDURUIRLSA-N 1 0 398.551 3.885 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000066349165 858083506 /nfs/dbraw/zinc/08/35/06/858083506.db2.gz LIHBUQVSTUYESZ-FQEVSTJZSA-N 1 0 389.499 3.853 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000066391929 858103947 /nfs/dbraw/zinc/10/39/47/858103947.db2.gz MWUDSCOKOYOEKQ-MRXNPFEDSA-N 1 0 397.906 3.877 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000574647290 858104532 /nfs/dbraw/zinc/10/45/32/858104532.db2.gz QGVLEYUKUGHOGR-IRXDYDNUSA-N 1 0 391.475 3.599 20 30 GHEDRO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c2)c1 ZINC000594428484 858174583 /nfs/dbraw/zinc/17/45/83/858174583.db2.gz MIZNHESBFYHDKL-HXUWFJFHSA-N 1 0 393.491 3.667 20 30 GHEDRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594431437 858175674 /nfs/dbraw/zinc/17/56/74/858175674.db2.gz MLHXQXVIGSVMIF-SFTDATJTSA-N 1 0 383.467 3.646 20 30 GHEDRO C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)[C@@H]([NH3+])CCCCC#N)OCCO3 ZINC000594430352 858175686 /nfs/dbraw/zinc/17/56/86/858175686.db2.gz ZXAHVLMIUWDTLV-LPHOPBHVSA-N 1 0 397.519 3.584 20 30 GHEDRO CC(C)(C)Oc1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c(C(F)(F)F)c1 ZINC000594432632 858176538 /nfs/dbraw/zinc/17/65/38/858176538.db2.gz FNYZSFSOWOLQEB-INIZCTEOSA-N 1 0 385.430 3.910 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000594441153 858178380 /nfs/dbraw/zinc/17/83/80/858178380.db2.gz NVIOUVXDIVPMJW-MRXNPFEDSA-N 1 0 383.402 3.858 20 30 GHEDRO COc1ccc([C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2Cl)cc1 ZINC000594447698 858178979 /nfs/dbraw/zinc/17/89/79/858178979.db2.gz VJJPVQOAFAGQQQ-WOJBJXKFSA-N 1 0 385.895 3.965 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C1CCCCC1)C2 ZINC000594446750 858178987 /nfs/dbraw/zinc/17/89/87/858178987.db2.gz XFXTXDAMQSPUPG-VXKWHMMOSA-N 1 0 383.536 3.940 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000594457194 858181318 /nfs/dbraw/zinc/18/13/18/858181318.db2.gz VTWFYIYFCFIREA-QZTJIDSGSA-N 1 0 381.480 3.592 20 30 GHEDRO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000594427996 858185463 /nfs/dbraw/zinc/18/54/63/858185463.db2.gz KIJLEKOEBGHGLJ-JXFKEZNVSA-N 1 0 393.491 3.919 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000594493814 858190234 /nfs/dbraw/zinc/19/02/34/858190234.db2.gz SHIXXJRPIBWSAM-JOCHJYFZSA-N 1 0 381.495 3.790 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cn2)C[C@H](C)O1 ZINC000594494885 858191262 /nfs/dbraw/zinc/19/12/62/858191262.db2.gz KEZIAVLCMYNXTR-HDICACEKSA-N 1 0 378.520 3.786 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000594503100 858194326 /nfs/dbraw/zinc/19/43/26/858194326.db2.gz SMCLPBBHWHNRDP-XMMPIXPASA-N 1 0 377.532 3.604 20 30 GHEDRO CCCc1c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1-c1cccc(C#N)c1 ZINC000594502135 858194352 /nfs/dbraw/zinc/19/43/52/858194352.db2.gz XOEQBNKUOYQLIH-NRFANRHFSA-N 1 0 393.535 3.752 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1C#N ZINC000442879703 858200463 /nfs/dbraw/zinc/20/04/63/858200463.db2.gz JXALIAUSOHKFON-LJQANCHMSA-N 1 0 392.503 3.909 20 30 GHEDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594750277 858283097 /nfs/dbraw/zinc/28/30/97/858283097.db2.gz GSGUHBVIJWIXDE-UHFFFAOYSA-N 1 0 391.562 3.576 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001127165916 858298655 /nfs/dbraw/zinc/29/86/55/858298655.db2.gz RCMRFXVIGCUBKA-UXHICEINSA-N 1 0 378.516 3.915 20 30 GHEDRO N#CC1(c2ccc(CNc3cccc(C[NH+]4CCC(C(N)=O)CC4)c3)cc2)CC1 ZINC000594927987 858306585 /nfs/dbraw/zinc/30/65/85/858306585.db2.gz RUQRCYBSNBKQRG-UHFFFAOYSA-N 1 0 388.515 3.551 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1OCCCC#N ZINC000594980858 858357076 /nfs/dbraw/zinc/35/70/76/858357076.db2.gz UMJCHNLPAJFXHS-PMACEKPBSA-N 1 0 382.508 3.612 20 30 GHEDRO CCOc1c(OC)cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1OC ZINC000594985121 858357395 /nfs/dbraw/zinc/35/73/95/858357395.db2.gz XFXXRRQOHIJQAK-UHFFFAOYSA-N 1 0 396.487 3.770 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1(c3cccc(C#N)c3)CCOCC1)O[C@H](C)C2 ZINC000594984137 858358102 /nfs/dbraw/zinc/35/81/02/858358102.db2.gz NDGRAZUJSDMTOH-MRXNPFEDSA-N 1 0 378.472 3.686 20 30 GHEDRO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000330341674 863022968 /nfs/dbraw/zinc/02/29/68/863022968.db2.gz ZOUNJTPBARVAJR-SPVGOVNVSA-N 1 0 385.552 3.747 20 30 GHEDRO N#CCC[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000595267780 858458070 /nfs/dbraw/zinc/45/80/70/858458070.db2.gz AIGQSMFGISAQRA-HBMCJLEFSA-N 1 0 380.467 3.615 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c(C(F)(F)F)c1 ZINC000574964238 858475305 /nfs/dbraw/zinc/47/53/05/858475305.db2.gz DAFVWTPJKBDYGG-ZBFHGGJFSA-N 1 0 392.381 3.847 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)c(C(F)(F)F)c1 ZINC000574964208 858475403 /nfs/dbraw/zinc/47/54/03/858475403.db2.gz BPGJABWRHASLQJ-UHFFFAOYSA-N 1 0 389.421 3.699 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCc3ccc(C#N)cc3)C2)cc1 ZINC000595370725 858518863 /nfs/dbraw/zinc/51/88/63/858518863.db2.gz OQKUPHJEIGXPGA-OAQYLSRUSA-N 1 0 376.504 3.943 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C(F)(F)F)c1 ZINC000595389485 858522400 /nfs/dbraw/zinc/52/24/00/858522400.db2.gz HWRDZAZJOAWIDP-OAHLLOKOSA-N 1 0 375.398 3.883 20 30 GHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593017909 858537711 /nfs/dbraw/zinc/53/77/11/858537711.db2.gz HJHYTJGRNGYPAC-GOSISDBHSA-N 1 0 375.432 3.789 20 30 GHEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000522080615 858603322 /nfs/dbraw/zinc/60/33/22/858603322.db2.gz UOWPSLWZDGQNFT-KHQYNDFOSA-N 1 0 398.551 3.810 20 30 GHEDRO CC(C)([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000595634327 858624207 /nfs/dbraw/zinc/62/42/07/858624207.db2.gz ANJZZIHWVRXDLK-UHFFFAOYSA-N 1 0 380.879 3.983 20 30 GHEDRO C/C=C\c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c(OC)c1 ZINC000595635444 858625312 /nfs/dbraw/zinc/62/53/12/858625312.db2.gz KVTOGOBHFOCNLA-BPJPHKDRSA-N 1 0 380.488 3.865 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](CO)Cc1ccccc1 ZINC000595596599 858626897 /nfs/dbraw/zinc/62/68/97/858626897.db2.gz PSLPEJNTOINXPC-IEBWSBKVSA-N 1 0 397.544 3.555 20 30 GHEDRO C=CC[C@H]1CCCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000595658606 858640621 /nfs/dbraw/zinc/64/06/21/858640621.db2.gz GCBGNCBELYHIIM-KBPBESRZSA-N 1 0 389.521 3.819 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)N3CCCc4ccccc43)CCOCC2)c1 ZINC000595768579 858665077 /nfs/dbraw/zinc/66/50/77/858665077.db2.gz IGBFEYGVKSCNPF-UHFFFAOYSA-N 1 0 389.499 3.523 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639274844 858666292 /nfs/dbraw/zinc/66/62/92/858666292.db2.gz KUUCEXAFOQSASQ-WNHJNPCNSA-N 1 0 379.342 3.765 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn(-c2ccc(C)cc2)c1C)C(C)C ZINC000522170432 858692981 /nfs/dbraw/zinc/69/29/81/858692981.db2.gz VDFSDFYGAQDXSN-JOCHJYFZSA-N 1 0 380.536 3.918 20 30 GHEDRO CC(C)CC1([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000595831758 858702287 /nfs/dbraw/zinc/70/22/87/858702287.db2.gz RRDLNRGJNZFLTC-QGZVFWFLSA-N 1 0 398.551 3.524 20 30 GHEDRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595895662 858709529 /nfs/dbraw/zinc/70/95/29/858709529.db2.gz RTWMZCZGFIFTOC-SFHVURJKSA-N 1 0 375.394 3.732 20 30 GHEDRO CC1(O)CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)ncn2)CC1 ZINC000596186754 858800446 /nfs/dbraw/zinc/80/04/46/858800446.db2.gz XCMSPGHHCNHROJ-UHFFFAOYSA-N 1 0 399.498 3.979 20 30 GHEDRO N#Cc1cc2cccnc2nc1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000596211609 858816350 /nfs/dbraw/zinc/81/63/50/858816350.db2.gz WHWVOQZDLPDFLG-LJQANCHMSA-N 1 0 375.501 3.531 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2Cc3cccc(C#N)c3C2)cc1 ZINC000593156747 858824012 /nfs/dbraw/zinc/82/40/12/858824012.db2.gz CDEFDOHUYHJPJI-UHFFFAOYSA-N 1 0 378.476 3.827 20 30 GHEDRO Cc1cc(C)c(CNc2cc(C)nc(NCc3cnc(C)cc3C)c2C#N)cn1 ZINC000596261132 858846553 /nfs/dbraw/zinc/84/65/53/858846553.db2.gz AKZQPIOWUXZKAX-UHFFFAOYSA-N 1 0 386.503 3.931 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322790 858939122 /nfs/dbraw/zinc/93/91/22/858939122.db2.gz OYHSYTXAUPLPDN-WOJBJXKFSA-N 1 0 379.552 3.921 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000596579786 858945317 /nfs/dbraw/zinc/94/53/17/858945317.db2.gz DKOSGOLYLDWHGU-FYYLOGMGSA-N 1 0 388.515 3.504 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCOC2)cc1OCC ZINC000543225783 858947556 /nfs/dbraw/zinc/94/75/56/858947556.db2.gz BCXIHXKZFJKDQA-AWEZNQCLSA-N 1 0 384.314 3.929 20 30 GHEDRO CC[C@H](C)[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000593200066 858966995 /nfs/dbraw/zinc/96/69/95/858966995.db2.gz LGYPGZHFNFAURV-KBXCAEBGSA-N 1 0 396.457 3.799 20 30 GHEDRO CC1(C)Cc2ccc(Br)cc2[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429309483 858986522 /nfs/dbraw/zinc/98/65/22/858986522.db2.gz RJBODPOUFXSFOM-QZTJIDSGSA-N 1 0 398.304 3.760 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccccc1 ZINC000556997066 881371691 /nfs/dbraw/zinc/37/16/91/881371691.db2.gz JNYZYNKNIYCETE-KBAYOESNSA-N 1 0 376.460 3.860 20 30 GHEDRO CC(C)[C@@H](CO)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000121127034 859061274 /nfs/dbraw/zinc/06/12/74/859061274.db2.gz VRUXSINXPGAWIK-HXUWFJFHSA-N 1 0 385.895 3.669 20 30 GHEDRO C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N(C)Cc1ccc(Br)cc1 ZINC000160668836 859101336 /nfs/dbraw/zinc/10/13/36/859101336.db2.gz WAABMNBYLGLWRC-LBPRGKRZSA-N 1 0 393.329 3.865 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185701895 859117411 /nfs/dbraw/zinc/11/74/11/859117411.db2.gz JFSJGMDUMNTBME-NHCUHLMSSA-N 1 0 396.579 3.793 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCCCC1 ZINC000625935861 859193925 /nfs/dbraw/zinc/19/39/25/859193925.db2.gz PYADTXIPFLESEB-UHFFFAOYSA-N 1 0 384.929 3.551 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCC(NC(=O)NC4CCCCC4)CC3)cc2)CC1 ZINC000597001640 859218349 /nfs/dbraw/zinc/21/83/49/859218349.db2.gz YTHZNKVFCVBQMZ-UHFFFAOYSA-N 1 0 380.536 3.838 20 30 GHEDRO CCOc1cccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000068886178 859238006 /nfs/dbraw/zinc/23/80/06/859238006.db2.gz YXOQXUQWKRPTJI-SFHVURJKSA-N 1 0 394.519 3.791 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000151655184 859288330 /nfs/dbraw/zinc/28/83/30/859288330.db2.gz JRIBUWHSRDGKBR-SFHVURJKSA-N 1 0 398.551 3.684 20 30 GHEDRO N#CC1(c2ccc(CN3CCO[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]43)cc2)CC1 ZINC000597158587 859321741 /nfs/dbraw/zinc/32/17/41/859321741.db2.gz RDPJOBMLAYOSFH-ZEQRLZLVSA-N 1 0 387.527 3.717 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(-c2cnn(C)c2)c1 ZINC000597184062 859343904 /nfs/dbraw/zinc/34/39/04/859343904.db2.gz RVCDLHXLKYQLJX-UHFFFAOYSA-N 1 0 377.517 3.651 20 30 GHEDRO Cc1nn2c(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)c(C(C)C)nc2s1 ZINC000597212402 859350302 /nfs/dbraw/zinc/35/03/02/859350302.db2.gz RLXLADVAHCPKIU-UHFFFAOYSA-N 1 0 395.532 3.890 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)c1 ZINC000474155204 859354271 /nfs/dbraw/zinc/35/42/71/859354271.db2.gz ATCUKSOXOCKIFU-UHFFFAOYSA-N 1 0 393.878 3.836 20 30 GHEDRO CC[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593329813 859430289 /nfs/dbraw/zinc/43/02/89/859430289.db2.gz CJTOSXMSJSQBDF-QFIPXVFZSA-N 1 0 376.504 3.973 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466425365 859453507 /nfs/dbraw/zinc/45/35/07/859453507.db2.gz KAECIEPHXOAOOO-UHFFFAOYSA-N 1 0 380.492 3.771 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC001170365090 881430323 /nfs/dbraw/zinc/43/03/23/881430323.db2.gz OQTKQDHVOUBNJP-SHSGKGFPSA-N 1 0 375.516 3.886 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CSc4ccccc43)CC2)c1 ZINC000593348386 859520874 /nfs/dbraw/zinc/52/08/74/859520874.db2.gz GDEWWJWJPXSQGU-FQEVSTJZSA-N 1 0 392.528 3.669 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000922303348 859524626 /nfs/dbraw/zinc/52/46/26/859524626.db2.gz CFOMNOFHBGKELP-YLJYHZDGSA-N 1 0 398.551 3.810 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3cccc(C(F)F)c3)CC2)c1 ZINC000593350805 859525555 /nfs/dbraw/zinc/52/55/55/859525555.db2.gz HSOCQJDNACTYSL-UHFFFAOYSA-N 1 0 383.442 3.819 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)cc4cccnc43)CC2)c1 ZINC000593351178 859526780 /nfs/dbraw/zinc/52/67/80/859526780.db2.gz JTHCURYMBBFRCB-UHFFFAOYSA-N 1 0 388.446 3.640 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3ccccc3Cl)CC2)c1 ZINC000593352128 859532499 /nfs/dbraw/zinc/53/24/99/859532499.db2.gz CTMQXSNNFFNBNX-UHFFFAOYSA-N 1 0 381.907 3.925 20 30 GHEDRO CC[C@H](OC1CCCCC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352531 859536217 /nfs/dbraw/zinc/53/62/17/859536217.db2.gz DTUWLCPYWMXETL-QFIPXVFZSA-N 1 0 383.536 3.767 20 30 GHEDRO CCO[C@H](C)c1ncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593353401 859548138 /nfs/dbraw/zinc/54/81/38/859548138.db2.gz LMKPHPAHMSAOBE-OAHLLOKOSA-N 1 0 398.532 3.507 20 30 GHEDRO Cc1ccc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000593354565 859554919 /nfs/dbraw/zinc/55/49/19/859554919.db2.gz SDXFGYILYLSPLR-UHFFFAOYSA-N 1 0 381.907 3.843 20 30 GHEDRO Cc1ccc(C)c(OCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000060575854 859571146 /nfs/dbraw/zinc/57/11/46/859571146.db2.gz OCMVWXSRODGHDR-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000601846258 859582953 /nfs/dbraw/zinc/58/29/53/859582953.db2.gz HIDYHCVKKPIQFJ-UHFFFAOYSA-N 1 0 398.551 3.674 20 30 GHEDRO COc1ccc(CN(C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000611209209 859644453 /nfs/dbraw/zinc/64/44/53/859644453.db2.gz OFTUFEMQPBVJTN-AWEZNQCLSA-N 1 0 398.532 3.751 20 30 GHEDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000597603180 859662370 /nfs/dbraw/zinc/66/23/70/859662370.db2.gz AGWHWMRTURAJRY-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO N#CCC[C@@H](C#N)CNc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000611290610 859684710 /nfs/dbraw/zinc/68/47/10/859684710.db2.gz CRYDMUSEPMRCSM-QFIPXVFZSA-N 1 0 387.531 3.907 20 30 GHEDRO CN(Cc1ccccc1)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000185220014 859711343 /nfs/dbraw/zinc/71/13/43/859711343.db2.gz RKFOTAHGNSPUSF-DEOSSOPVSA-N 1 0 399.542 3.959 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000895597828 859711931 /nfs/dbraw/zinc/71/19/31/859711931.db2.gz AIDWNPNMZCGNAJ-PMACEKPBSA-N 1 0 378.476 3.626 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCCCC)c(Cl)c2)CC1 ZINC000466488274 859720981 /nfs/dbraw/zinc/72/09/81/859720981.db2.gz ILQFINPZSRRAAN-UHFFFAOYSA-N 1 0 379.932 3.969 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCc4c3cccc4Br)CC2)nc1 ZINC000611365913 859728861 /nfs/dbraw/zinc/72/88/61/859728861.db2.gz LCMDYUBVFROMIL-LJQANCHMSA-N 1 0 397.320 3.962 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000611386275 859730889 /nfs/dbraw/zinc/73/08/89/859730889.db2.gz HAKPCTMLPZMQDF-IERDGZPVSA-N 1 0 393.487 3.590 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000611391708 859734974 /nfs/dbraw/zinc/73/49/74/859734974.db2.gz BMXRRFGSALVZDN-GOTSBHOMSA-N 1 0 379.479 3.738 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000611391044 859742252 /nfs/dbraw/zinc/74/22/52/859742252.db2.gz NMCLMDRVWZFCEF-WAIKUNEKSA-N 1 0 389.499 3.944 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474276743 859750300 /nfs/dbraw/zinc/75/03/00/859750300.db2.gz XPCQSWSGPMPWKT-INIZCTEOSA-N 1 0 375.538 3.694 20 30 GHEDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)C1(c3cc(F)cc(C#N)c3)CC1)CC2 ZINC000597703156 859750803 /nfs/dbraw/zinc/75/08/03/859750803.db2.gz DAVADZMOKYTFJI-UHFFFAOYSA-N 1 0 383.511 3.842 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)ccc1Cl ZINC000128865867 859778384 /nfs/dbraw/zinc/77/83/84/859778384.db2.gz ISLNRWDTOBXPDX-VQTJNVASSA-N 1 0 399.926 3.865 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)ccc1Cl ZINC000128865212 859779200 /nfs/dbraw/zinc/77/92/00/859779200.db2.gz ISLNRWDTOBXPDX-UXHICEINSA-N 1 0 399.926 3.865 20 30 GHEDRO Cc1ccc(Cl)c(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000611498662 859786605 /nfs/dbraw/zinc/78/66/05/859786605.db2.gz NNRLRSJZVVAJOS-UHFFFAOYSA-N 1 0 397.906 3.702 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602179178 859837622 /nfs/dbraw/zinc/83/76/22/859837622.db2.gz ZQUSUDAULGLCQA-UHFFFAOYSA-N 1 0 377.488 3.978 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000597859221 859876216 /nfs/dbraw/zinc/87/62/16/859876216.db2.gz BLRIPVBRBNEANT-FQEVSTJZSA-N 1 0 391.515 3.987 20 30 GHEDRO CC(C)(C)Oc1cccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000508910242 859943558 /nfs/dbraw/zinc/94/35/58/859943558.db2.gz BYVUWDHUXPJQCQ-UHFFFAOYSA-N 1 0 378.520 3.838 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000602353891 859970784 /nfs/dbraw/zinc/97/07/84/859970784.db2.gz OVKIFPVZHYRJRC-JOCHJYFZSA-N 1 0 391.519 3.568 20 30 GHEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262246446 859974545 /nfs/dbraw/zinc/97/45/45/859974545.db2.gz OTHXKLOLEIJASP-NLWGTHIKSA-N 1 0 380.540 3.600 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508920853 860013924 /nfs/dbraw/zinc/01/39/24/860013924.db2.gz KKYGWGKBXNEVNK-FQEVSTJZSA-N 1 0 379.552 3.676 20 30 GHEDRO CCc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593511446 860072872 /nfs/dbraw/zinc/07/28/72/860072872.db2.gz ZEMBRRPNGAJNNH-UHFFFAOYSA-N 1 0 390.531 3.927 20 30 GHEDRO CC1CCC(Oc2cc(C[NH2+]Cc3cnc4ccc(C#N)cn34)ccn2)CC1 ZINC000123766074 860076430 /nfs/dbraw/zinc/07/64/30/860076430.db2.gz JGBVUKFQAAYHRL-UHFFFAOYSA-N 1 0 375.476 3.848 20 30 GHEDRO COc1ccc2c(NC3CC[NH+](Cc4cccc(C#N)c4)CC3)ncnc2c1F ZINC000593514938 860092802 /nfs/dbraw/zinc/09/28/02/860092802.db2.gz HDJVHTACAHGAJS-UHFFFAOYSA-N 1 0 391.450 3.726 20 30 GHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508932042 860096391 /nfs/dbraw/zinc/09/63/91/860096391.db2.gz RPNKTLFTZFHECO-UHFFFAOYSA-N 1 0 397.567 3.739 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508933363 860100078 /nfs/dbraw/zinc/10/00/78/860100078.db2.gz XYELREZEEGEZFE-FQEVSTJZSA-N 1 0 395.551 3.725 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCSCc1ccccc1C#N ZINC000727468124 860105249 /nfs/dbraw/zinc/10/52/49/860105249.db2.gz PENXJFCYJMCIDM-SFHVURJKSA-N 1 0 375.538 3.781 20 30 GHEDRO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170384456 881500134 /nfs/dbraw/zinc/50/01/34/881500134.db2.gz YFKUVOSTLVULET-GWQJPBPXSA-N 1 0 381.520 3.990 20 30 GHEDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593515972 860107253 /nfs/dbraw/zinc/10/72/53/860107253.db2.gz VHMWLGGOHSBHDL-UHFFFAOYSA-N 1 0 380.448 3.689 20 30 GHEDRO COc1cc2[nH]c(CCC[NH2+][C@H](C)CC3(C#N)CCOCC3)cc2c(OC)c1 ZINC000602568349 860118559 /nfs/dbraw/zinc/11/85/59/860118559.db2.gz KJGOOPGBYTVRAQ-MRXNPFEDSA-N 1 0 385.508 3.806 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598194330 860122792 /nfs/dbraw/zinc/12/27/92/860122792.db2.gz FRTCCCAWGIQSFE-XXBNENTESA-N 1 0 375.516 3.512 20 30 GHEDRO C[C@H](CCC#N)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000602591298 860131857 /nfs/dbraw/zinc/13/18/57/860131857.db2.gz YOWRGBIYWMRZGA-JLTOFOAXSA-N 1 0 392.471 3.987 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC001170387143 881503695 /nfs/dbraw/zinc/50/36/95/881503695.db2.gz RRCJBKFSLYJDMJ-UHFFFAOYSA-N 1 0 391.490 3.988 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000602621757 860161295 /nfs/dbraw/zinc/16/12/95/860161295.db2.gz QCHWQHLYHFZYRK-HZPDHXFCSA-N 1 0 381.442 3.973 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000484602455 860173861 /nfs/dbraw/zinc/17/38/61/860173861.db2.gz VYEGHHWEOGDTHI-OALUTQOASA-N 1 0 375.561 3.672 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C\c3ccc4[nH]ccc4c3)CC2)cc1 ZINC000765562544 860180968 /nfs/dbraw/zinc/18/09/68/860180968.db2.gz JKGVYUSNJUYGKC-CLFYSBASSA-N 1 0 384.483 3.787 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602738728 860243899 /nfs/dbraw/zinc/24/38/99/860243899.db2.gz RDGNYDHCOHZHHS-AZUAARDMSA-N 1 0 390.405 3.740 20 30 GHEDRO CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000093363391 860257492 /nfs/dbraw/zinc/25/74/92/860257492.db2.gz XZIBWAQSOUNVLW-UHFFFAOYSA-N 1 0 381.867 3.710 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000054217468 860272809 /nfs/dbraw/zinc/27/28/09/860272809.db2.gz VNWDYORPJIUYAE-UHFFFAOYSA-N 1 0 398.894 3.726 20 30 GHEDRO N#C[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC12CCCC2 ZINC000598396998 860278182 /nfs/dbraw/zinc/27/81/82/860278182.db2.gz RIJDLGIDFSXNTD-GBXCKJPGSA-N 1 0 377.532 3.879 20 30 GHEDRO N#Cc1c(F)cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC000598395038 860296461 /nfs/dbraw/zinc/29/64/61/860296461.db2.gz AQUBDZPJHGWYDR-GOSISDBHSA-N 1 0 395.453 3.869 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000904311900 860328174 /nfs/dbraw/zinc/32/81/74/860328174.db2.gz KNWKOXNRGHQJCX-UHFFFAOYSA-N 1 0 398.551 3.730 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000904330746 860345142 /nfs/dbraw/zinc/34/51/42/860345142.db2.gz BDQZSZBXUISYSE-MRXNPFEDSA-N 1 0 378.423 3.675 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000153015520 881528988 /nfs/dbraw/zinc/52/89/88/881528988.db2.gz HFYPDONDTLJARQ-HNNXBMFYSA-N 1 0 379.932 3.696 20 30 GHEDRO COC(=O)c1csc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000552281952 860415917 /nfs/dbraw/zinc/41/59/17/860415917.db2.gz PURQNGKMWSPHEY-NVPAJSRCSA-N 1 0 385.489 3.842 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCn3nccc32)ccc1OCc1cccc(C#N)c1 ZINC000603030722 860438995 /nfs/dbraw/zinc/43/89/95/860438995.db2.gz VRELFGPJXSCLKG-FQEVSTJZSA-N 1 0 388.471 3.967 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C12CCOCC2 ZINC000329933276 860455438 /nfs/dbraw/zinc/45/54/38/860455438.db2.gz BKZDMICXZFDHTO-IJZHQTRZSA-N 1 0 384.520 3.812 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C12CCOCC2 ZINC000329933275 860455597 /nfs/dbraw/zinc/45/55/97/860455597.db2.gz BKZDMICXZFDHTO-FGGKUVOCSA-N 1 0 384.520 3.812 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2nccc(OCC(F)(F)F)n2)CC1 ZINC001170376211 881550425 /nfs/dbraw/zinc/55/04/25/881550425.db2.gz LKRQXOQDLWLIHZ-UHFFFAOYSA-N 1 0 390.409 3.911 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000552682103 860554620 /nfs/dbraw/zinc/55/46/20/860554620.db2.gz YIGRPAQMQVFCFW-GCJKJVERSA-N 1 0 389.499 3.836 20 30 GHEDRO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)C(C)C ZINC001168734382 860566144 /nfs/dbraw/zinc/56/61/44/860566144.db2.gz VKLPHVBXKQSMCT-LJQANCHMSA-N 1 0 375.432 3.848 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccc(C#N)cc1F ZINC000170936963 860574931 /nfs/dbraw/zinc/57/49/31/860574931.db2.gz XVBMCFVBOFKGCJ-UHFFFAOYSA-N 1 0 388.512 3.812 20 30 GHEDRO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)ncc1Br ZINC000599005149 860722762 /nfs/dbraw/zinc/72/27/62/860722762.db2.gz KMIKIHFCQHYMFT-UHFFFAOYSA-N 1 0 386.293 3.820 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417941682 860855176 /nfs/dbraw/zinc/85/51/76/860855176.db2.gz SEMCDMGRYRWYPH-BZSNNMDCSA-N 1 0 399.457 3.860 20 30 GHEDRO Cc1ccccc1-n1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cn1 ZINC000593692082 860884741 /nfs/dbraw/zinc/88/47/41/860884741.db2.gz ZEAQKPFBYRWCSA-UHFFFAOYSA-N 1 0 385.515 3.807 20 30 GHEDRO CCCOc1ccc(Oc2ncccc2CNC(=[NH2+])Nc2ccccn2)cc1 ZINC000170906583 860964784 /nfs/dbraw/zinc/96/47/84/860964784.db2.gz BCGAVQAOVBWDGU-UHFFFAOYSA-N 1 0 377.448 3.985 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[N@@H+]1CCCC[C@@H]1C ZINC000603660112 860993236 /nfs/dbraw/zinc/99/32/36/860993236.db2.gz PNKUGQMDWXPHBW-HOTGVXAUSA-N 1 0 397.548 3.990 20 30 GHEDRO CCC[N@@H+](Cc1ccccc1Br)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599274712 860997320 /nfs/dbraw/zinc/99/73/20/860997320.db2.gz YHBGHPBCBAXYLH-KRWDZBQOSA-N 1 0 395.341 3.732 20 30 GHEDRO CC(C)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000481316019 861021057 /nfs/dbraw/zinc/02/10/57/861021057.db2.gz SKNRYGHNANCTFG-OAQYLSRUSA-N 1 0 376.504 3.605 20 30 GHEDRO C=C(C)C[N@@H+](C)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000481317556 861022866 /nfs/dbraw/zinc/02/28/66/861022866.db2.gz LYAABETUCIJYMG-GOSISDBHSA-N 1 0 379.504 3.966 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCCC[NH+]3CCCCC3)cn2)cc1 ZINC000603690741 861025188 /nfs/dbraw/zinc/02/51/88/861025188.db2.gz PGHGIYCIOAZJAS-UHFFFAOYSA-N 1 0 379.464 3.743 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[NH+](C4CCCC4)CC3)cn2)cc1 ZINC000603690748 861025489 /nfs/dbraw/zinc/02/54/89/861025489.db2.gz VEEBFOOKGQDNFM-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000603692485 861026205 /nfs/dbraw/zinc/02/62/05/861026205.db2.gz YJXFGXZXFIDZLW-SJORKVTESA-N 1 0 393.491 3.987 20 30 GHEDRO CC1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C[NH+]3CCCCC3)cn2)CC1 ZINC000329125724 861042445 /nfs/dbraw/zinc/04/24/45/861042445.db2.gz TUXZJTZODBTRLW-NRFANRHFSA-N 1 0 399.583 3.682 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC ZINC000022198526 861056430 /nfs/dbraw/zinc/05/64/30/861056430.db2.gz WECXJOWEXDIBIH-UHFFFAOYSA-N 1 0 399.516 3.586 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccc(OC)cc2)cc1 ZINC000599318715 861058345 /nfs/dbraw/zinc/05/83/45/861058345.db2.gz WOWBRRIJRUEONS-KNQAVFIVSA-N 1 0 380.488 3.632 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000072975006 861077945 /nfs/dbraw/zinc/07/79/45/861077945.db2.gz UGFBIHSBMVMGPA-LEWJYISDSA-N 1 0 382.552 3.520 20 30 GHEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cc2)cs1 ZINC000599348630 861084494 /nfs/dbraw/zinc/08/44/94/861084494.db2.gz ASLCAISPJWHGLO-KXBFYZLASA-N 1 0 385.533 3.841 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000599349335 861087283 /nfs/dbraw/zinc/08/72/83/861087283.db2.gz GWSADANZIOEMSM-PXNSSMCTSA-N 1 0 380.488 3.980 20 30 GHEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599358906 861121265 /nfs/dbraw/zinc/12/12/65/861121265.db2.gz IQQGZGNGDKXEMJ-HRCADAONSA-N 1 0 384.442 3.858 20 30 GHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599386866 861151486 /nfs/dbraw/zinc/15/14/86/861151486.db2.gz XNSQQXUJRMBHIC-QGZVFWFLSA-N 1 0 384.442 3.687 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)CCOCC1 ZINC000599405324 861173555 /nfs/dbraw/zinc/17/35/55/861173555.db2.gz VDCRHYZEEODKAP-OAQYLSRUSA-N 1 0 396.556 3.789 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000899563207 861176206 /nfs/dbraw/zinc/17/62/06/861176206.db2.gz YCILLLNBOPRTNY-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1OC ZINC000623540651 861181781 /nfs/dbraw/zinc/18/17/81/861181781.db2.gz AMSBRTASHLPPFG-QAPCUYQASA-N 1 0 391.899 3.657 20 30 GHEDRO CCCc1c(NC(=O)NCC[N@H+](C)[C@H](C)CC)cnn1-c1cccc(C#N)c1 ZINC000439675540 863231451 /nfs/dbraw/zinc/23/14/51/863231451.db2.gz RRYDYDAYAMNONM-MRXNPFEDSA-N 1 0 382.512 3.548 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160080925 863303986 /nfs/dbraw/zinc/30/39/86/863303986.db2.gz MHSVEDVLSQTYEE-FQEVSTJZSA-N 1 0 380.467 3.503 20 30 GHEDRO Cc1cc(F)cc2[nH]c(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000482611006 863395100 /nfs/dbraw/zinc/39/51/00/863395100.db2.gz XHWMFXJPVBERJE-UHFFFAOYSA-N 1 0 390.462 3.904 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000593945201 863442099 /nfs/dbraw/zinc/44/20/99/863442099.db2.gz RWOIRLYSWRZMBP-FDDCHVKYSA-N 1 0 391.515 3.699 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000593949109 863451268 /nfs/dbraw/zinc/45/12/68/863451268.db2.gz VRMPGJJSLORTTI-SFHVURJKSA-N 1 0 376.504 3.517 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000522849176 863548825 /nfs/dbraw/zinc/54/88/25/863548825.db2.gz JNTJWMKPEZKTTN-UHFFFAOYSA-N 1 0 382.957 3.951 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000444163399 863580241 /nfs/dbraw/zinc/58/02/41/863580241.db2.gz CLPUDPCIMWFCBO-ZWKOTPCHSA-N 1 0 388.581 3.683 20 30 GHEDRO CCCc1c(NC(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439708538 863586233 /nfs/dbraw/zinc/58/62/33/863586233.db2.gz YSIKPVCWYRSUKA-DLBZAZTESA-N 1 0 394.523 3.643 20 30 GHEDRO CCCCCc1nnc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594033191 863805059 /nfs/dbraw/zinc/80/50/59/863805059.db2.gz JSJIWACTIXCNMT-UHFFFAOYSA-N 1 0 383.521 3.750 20 30 GHEDRO CC1(C)Cc2cccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c2O1 ZINC000594056684 863926623 /nfs/dbraw/zinc/92/66/23/863926623.db2.gz UKDAEULHNBUQDD-UHFFFAOYSA-N 1 0 389.499 3.666 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)s2)cc1 ZINC000594060191 863971469 /nfs/dbraw/zinc/97/14/69/863971469.db2.gz FLIXBYIPWIDUJT-RBUKOAKNSA-N 1 0 395.532 3.744 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c(OC)c1 ZINC000554264151 864007617 /nfs/dbraw/zinc/00/76/17/864007617.db2.gz IPXZHJVHMIIHMI-IOMROCGXSA-N 1 0 382.504 3.642 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cn2)cc1 ZINC000609205936 881725269 /nfs/dbraw/zinc/72/52/69/881725269.db2.gz KHNAVGWDYQIWQK-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000734215274 864088964 /nfs/dbraw/zinc/08/89/64/864088964.db2.gz HQJFFARNAIHAAS-GOSISDBHSA-N 1 0 379.504 3.627 20 30 GHEDRO COc1cccc(N2CC[C@H](CNC(=[NH2+])Nc3cccc4c3CCCC4)C2)c1 ZINC000262428498 864127213 /nfs/dbraw/zinc/12/72/13/864127213.db2.gz DGGDYMHPSZDTKX-QGZVFWFLSA-N 1 0 378.520 3.827 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000494443774 881731405 /nfs/dbraw/zinc/73/14/05/881731405.db2.gz CDVSDCPQOQJNCE-NFBKMPQASA-N 1 0 378.472 3.803 20 30 GHEDRO CC[NH+](CC)CCN1c2ccccc2C(=NNc2cc(F)c(F)cc2F)C1=O ZINC000734301796 864136848 /nfs/dbraw/zinc/13/68/48/864136848.db2.gz PRAZPWLNNHKPTQ-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]3COCC[C@H]32)sc2c1CCCCC2 ZINC000532312280 881744487 /nfs/dbraw/zinc/74/44/87/881744487.db2.gz DWAIFKSSXLLBDH-CRAIPNDOSA-N 1 0 387.549 3.718 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000104327168 864280703 /nfs/dbraw/zinc/28/07/03/864280703.db2.gz AGDRZNLFNONYQZ-UHFFFAOYSA-N 1 0 396.969 3.761 20 30 GHEDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)COc3ccc(C#N)cc3)c(C)c2c1 ZINC000184331624 864371835 /nfs/dbraw/zinc/37/18/35/864371835.db2.gz MBNMOWLGDTVDQP-WBVHZDCISA-N 1 0 380.444 3.712 20 30 GHEDRO [NH2+]=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)Nc1cccc2c1CCCC2 ZINC000262446130 864448044 /nfs/dbraw/zinc/44/80/44/864448044.db2.gz ISFGATHPDJJHLS-NRFANRHFSA-N 1 0 392.503 3.610 20 30 GHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Oc1ccccc1Cl ZINC000262459177 864523514 /nfs/dbraw/zinc/52/35/14/864523514.db2.gz LXCFLBXHZUXGNI-ZDUSSCGKSA-N 1 0 375.856 3.695 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000586051980 864624313 /nfs/dbraw/zinc/62/43/13/864624313.db2.gz ISARRDOUGHZMSW-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494491017 881790210 /nfs/dbraw/zinc/79/02/10/881790210.db2.gz DQAHYIOKUXEEFV-KCZVDYSFSA-N 1 0 387.907 3.928 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(F)(c2cccnc2)CC1)C(C)C ZINC000480544571 864848400 /nfs/dbraw/zinc/84/84/00/864848400.db2.gz WWLMXWYODLKGOW-HXUWFJFHSA-N 1 0 388.531 3.750 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(Cc3ccc(Cl)cc3C#N)CC2)C[C@@H](C)O1 ZINC000480584962 864883131 /nfs/dbraw/zinc/88/31/31/864883131.db2.gz SSTQKPQWESFBIL-IAGOWNOFSA-N 1 0 375.944 3.923 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063375 864928479 /nfs/dbraw/zinc/92/84/79/864928479.db2.gz AMEBLKMIMOWATJ-NPDDRXJXSA-N 1 0 385.552 3.805 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc(OC)c1OC ZINC000608164476 865036070 /nfs/dbraw/zinc/03/60/70/865036070.db2.gz NHSMFTJTSRQAMK-OAQYLSRUSA-N 1 0 394.515 3.779 20 30 GHEDRO C[C@@H]1CC(N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065314 865076126 /nfs/dbraw/zinc/07/61/26/865076126.db2.gz VPWNUBLIZNVCKI-WOJBJXKFSA-N 1 0 389.547 3.517 20 30 GHEDRO N#CC(CC[N@H+]1CCC[C@H](CCC(N)=O)C1)(c1ccccc1)c1ccccc1 ZINC000193048407 865154444 /nfs/dbraw/zinc/15/44/44/865154444.db2.gz RQYBBIKQXVBOHT-HXUWFJFHSA-N 1 0 375.516 3.864 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899124226 865344347 /nfs/dbraw/zinc/34/43/47/865344347.db2.gz QTOBXLVLFDFWHE-YUMYIRISSA-N 1 0 380.536 3.622 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000171737206 865350416 /nfs/dbraw/zinc/35/04/16/865350416.db2.gz CFVRDSRHSCLMIP-GOSISDBHSA-N 1 0 398.334 3.727 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H](C)c2ccccc2Br)CC1 ZINC000171740506 865351253 /nfs/dbraw/zinc/35/12/53/865351253.db2.gz YARNLCWIEFXLHA-CQSZACIVSA-N 1 0 380.330 3.802 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Oc3ccccc3OC)cc2)CC1 ZINC000171907805 865407459 /nfs/dbraw/zinc/40/74/59/865407459.db2.gz IFOHKOYSMPBHNP-UHFFFAOYSA-N 1 0 395.503 3.937 20 30 GHEDRO Cc1noc(C)c1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000174119465 865425084 /nfs/dbraw/zinc/42/50/84/865425084.db2.gz LCIZVOGJXXUTKZ-LBPRGKRZSA-N 1 0 386.521 3.810 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)[C@H]1c1cccs1 ZINC000594230080 865480168 /nfs/dbraw/zinc/48/01/68/865480168.db2.gz MACZFDKOYMXTBW-JXFKEZNVSA-N 1 0 380.517 3.728 20 30 GHEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000555130280 865549158 /nfs/dbraw/zinc/54/91/58/865549158.db2.gz BEWXCPSQYKANSB-MSOLQXFVSA-N 1 0 395.894 3.594 20 30 GHEDRO C[C@@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000594249766 865604380 /nfs/dbraw/zinc/60/43/80/865604380.db2.gz WSSCCALOVWWOTC-UTKZUKDTSA-N 1 0 376.504 3.928 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000499289684 881887679 /nfs/dbraw/zinc/88/76/79/881887679.db2.gz ZSPVPRGOMIEYID-UHFFFAOYSA-N 1 0 394.515 3.902 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594255784 865621258 /nfs/dbraw/zinc/62/12/58/865621258.db2.gz IARLOUJYUNRGHK-XLIONFOSSA-N 1 0 381.545 3.827 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000594287122 865713520 /nfs/dbraw/zinc/71/35/20/865713520.db2.gz TXDIIHMCGZKBAH-QGZVFWFLSA-N 1 0 376.504 3.882 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000608812497 865718516 /nfs/dbraw/zinc/71/85/16/865718516.db2.gz QVHKGLMSXUTYHF-DLBZAZTESA-N 1 0 381.476 3.580 20 30 GHEDRO C=C(C)Cn1c(CC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000555268231 865805455 /nfs/dbraw/zinc/80/54/55/865805455.db2.gz IVVQHBJXDXPPKD-RTWAWAEBSA-N 1 0 379.552 3.908 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000555255391 865811009 /nfs/dbraw/zinc/81/10/09/865811009.db2.gz JHDVUHJFUCNWMZ-MOPGFXCFSA-N 1 0 382.556 3.940 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC3CC[NH+](CC4CC4)CC3)c2)s1 ZINC000740035833 865834566 /nfs/dbraw/zinc/83/45/66/865834566.db2.gz NPQUZHFJVDGZNZ-UHFFFAOYSA-N 1 0 394.544 3.960 20 30 GHEDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740033631 865834674 /nfs/dbraw/zinc/83/46/74/865834674.db2.gz MCIQTFCULOHQNK-INIZCTEOSA-N 1 0 382.533 3.818 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609017861 865893756 /nfs/dbraw/zinc/89/37/56/865893756.db2.gz IWZOYKYSWJHJDA-GCJKJVERSA-N 1 0 377.488 3.669 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000609040710 865914490 /nfs/dbraw/zinc/91/44/90/865914490.db2.gz MPTSKOKJSCXRJN-UHFFFAOYSA-N 1 0 391.496 3.991 20 30 GHEDRO CCc1ccc([C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000609023899 865927503 /nfs/dbraw/zinc/92/75/03/865927503.db2.gz ZXFXWPVPOWRKET-IBGZPJMESA-N 1 0 375.516 3.959 20 30 GHEDRO [NH2+]=C(NCCc1cc(Br)ccc1F)N[C@H]1CCOc2ccccc21 ZINC000262510683 865933731 /nfs/dbraw/zinc/93/37/31/865933731.db2.gz MDQFJDQARRCFHM-INIZCTEOSA-N 1 0 392.272 3.559 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1[nH]c2ccccc2c1C#N ZINC000897294970 866010655 /nfs/dbraw/zinc/01/06/55/866010655.db2.gz FTMZPJJUANVABB-UHFFFAOYSA-N 1 0 387.487 3.813 20 30 GHEDRO CCC(CC)n1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C ZINC000183140075 866267858 /nfs/dbraw/zinc/26/78/58/866267858.db2.gz ZTDZWKUETPBKBB-UHFFFAOYSA-N 1 0 381.524 3.628 20 30 GHEDRO Cc1ccc(-c2nc(CCNC(=[NH2+])N[C@@H]3CCOc4ccccc43)co2)cc1 ZINC000262523559 866271582 /nfs/dbraw/zinc/27/15/82/866271582.db2.gz OEEITHKSRFMJQM-LJQANCHMSA-N 1 0 376.460 3.621 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000071027698 866338182 /nfs/dbraw/zinc/33/81/82/866338182.db2.gz ZHLVMESAFZTJDP-UHFFFAOYSA-N 1 0 395.422 3.970 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3ccc(OCC#N)cc3)cc2)CC1 ZINC000183184630 866343817 /nfs/dbraw/zinc/34/38/17/866343817.db2.gz WWZPABDMRYVKOW-LJQANCHMSA-N 1 0 378.520 3.900 20 30 GHEDRO N#CCOc1ccc(COC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000741328534 866411704 /nfs/dbraw/zinc/41/17/04/866411704.db2.gz VJVAVZDEKMCUQG-IBGZPJMESA-N 1 0 382.435 3.683 20 30 GHEDRO N#CCOc1ccc(COC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000741328788 866411727 /nfs/dbraw/zinc/41/17/27/866411727.db2.gz VJVAVZDEKMCUQG-LJQANCHMSA-N 1 0 382.435 3.683 20 30 GHEDRO [NH2+]=C(NCc1ccccc1OCC(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000304483690 866498218 /nfs/dbraw/zinc/49/82/18/866498218.db2.gz JGJDPLJSAHNRFS-HNNXBMFYSA-N 1 0 379.382 3.556 20 30 GHEDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193078025 866583207 /nfs/dbraw/zinc/58/32/07/866583207.db2.gz PTQURECKKUFIJP-NRFANRHFSA-N 1 0 375.516 3.687 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)OCC ZINC000534388391 866665942 /nfs/dbraw/zinc/66/59/42/866665942.db2.gz KJYBBKHOHUEZJZ-FQEVSTJZSA-N 1 0 387.524 3.811 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000523133560 866706284 /nfs/dbraw/zinc/70/62/84/866706284.db2.gz JVKPAZFPEFFISR-NRFANRHFSA-N 1 0 377.488 3.549 20 30 GHEDRO C#CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000741677753 866716098 /nfs/dbraw/zinc/71/60/98/866716098.db2.gz ZNMLAFGGPYQXDA-DENIHFKCSA-N 1 0 376.500 3.996 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508497927 866797441 /nfs/dbraw/zinc/79/74/41/866797441.db2.gz OMLMMOAMTUIRGW-QGZVFWFLSA-N 1 0 387.959 3.876 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508498503 866848733 /nfs/dbraw/zinc/84/87/33/866848733.db2.gz SNUSSHTUFRLLMP-SFHVURJKSA-N 1 0 390.535 3.847 20 30 GHEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000133177136 882031551 /nfs/dbraw/zinc/03/15/51/882031551.db2.gz QXFRPJOUOHSAQX-IBGZPJMESA-N 1 0 398.551 3.645 20 30 GHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508503035 866993157 /nfs/dbraw/zinc/99/31/57/866993157.db2.gz DUKCQJGRGLFELS-UHFFFAOYSA-N 1 0 377.492 3.942 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1OC ZINC000121375485 882044134 /nfs/dbraw/zinc/04/41/34/882044134.db2.gz BTGRHVYOQIHGLN-UHFFFAOYSA-N 1 0 396.487 3.816 20 30 GHEDRO N#CC1(NC(=O)CCCc2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479337804 867619084 /nfs/dbraw/zinc/61/90/84/867619084.db2.gz CTEYUCYAYLIFPT-UHFFFAOYSA-N 1 0 397.469 3.962 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[N@@H+](C)C2CC2)cc1C ZINC000457195150 867798291 /nfs/dbraw/zinc/79/82/91/867798291.db2.gz GHUNWIJYVYKIKX-UHFFFAOYSA-N 1 0 393.535 3.685 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000743203594 867923699 /nfs/dbraw/zinc/92/36/99/867923699.db2.gz OHJLCKQZNHWLEM-UHFFFAOYSA-N 1 0 395.478 3.886 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000743194196 867940003 /nfs/dbraw/zinc/94/00/03/867940003.db2.gz IRLSXFSZMIXZCU-QGZVFWFLSA-N 1 0 387.480 3.858 20 30 GHEDRO COC(=O)[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000743481247 868210613 /nfs/dbraw/zinc/21/06/13/868210613.db2.gz JJTGMAOZJZHDOI-DFQSSKMNSA-N 1 0 383.517 3.507 20 30 GHEDRO CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCOC2)O1 ZINC000475628929 868398619 /nfs/dbraw/zinc/39/86/19/868398619.db2.gz SYKDNLHECIGQOZ-XMMPIXPASA-N 1 0 392.499 3.907 20 30 GHEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000133338332 882191316 /nfs/dbraw/zinc/19/13/16/882191316.db2.gz JBPQLMXLYFERLX-UHFFFAOYSA-N 1 0 398.551 3.645 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(C)(C)C[NH+](C)C ZINC000479754157 868462973 /nfs/dbraw/zinc/46/29/73/868462973.db2.gz MCQCYKOMOOYIJS-QGZVFWFLSA-N 1 0 379.504 3.843 20 30 GHEDRO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nc2sc3c(c2c1=O)CCC3 ZINC000535333652 868566990 /nfs/dbraw/zinc/56/69/90/868566990.db2.gz QUZWKJGHORTPIG-ZDUSSCGKSA-N 1 0 375.563 3.709 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157283506 868612041 /nfs/dbraw/zinc/61/20/41/868612041.db2.gz HHJQVZJBJZBBJV-MOPGFXCFSA-N 1 0 375.582 3.602 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1C#N ZINC000440806999 868648110 /nfs/dbraw/zinc/64/81/10/868648110.db2.gz HDXWAZAWTLDOBO-KRWDZBQOSA-N 1 0 392.503 3.674 20 30 GHEDRO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000744213777 868668761 /nfs/dbraw/zinc/66/87/61/868668761.db2.gz BNRTUGJMFLKYCB-HXUWFJFHSA-N 1 0 384.520 3.635 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1OC ZINC000091949418 882223197 /nfs/dbraw/zinc/22/31/97/882223197.db2.gz FJSKPBMIFXUTMB-GOSISDBHSA-N 1 0 386.536 3.731 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)C1CCCCC1 ZINC000102331543 882228468 /nfs/dbraw/zinc/22/84/68/882228468.db2.gz MTFBSORYMJZTAJ-OAQYLSRUSA-N 1 0 395.503 3.971 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1)c1cccc(Cl)c1 ZINC000128350287 868806068 /nfs/dbraw/zinc/80/60/68/868806068.db2.gz VFRKQWZPFMSCFM-RBUKOAKNSA-N 1 0 385.899 3.557 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000744407011 868816239 /nfs/dbraw/zinc/81/62/39/868816239.db2.gz QPOJFDNZDUHPRS-MOPGFXCFSA-N 1 0 390.487 3.647 20 30 GHEDRO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190605262 882232168 /nfs/dbraw/zinc/23/21/68/882232168.db2.gz OGRPSAWWKZSRBK-OXJNMPFZSA-N 1 0 379.529 3.602 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nccn3Cc3ccccc3)C2)c(F)c1 ZINC000524458633 869083643 /nfs/dbraw/zinc/08/36/43/869083643.db2.gz XIQMRWBZXNZFDN-HXUWFJFHSA-N 1 0 389.478 3.701 20 30 GHEDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000539454746 869167414 /nfs/dbraw/zinc/16/74/14/869167414.db2.gz HMWKYBKSLXHTFO-UHFFFAOYSA-N 1 0 386.883 3.910 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000524519499 869218045 /nfs/dbraw/zinc/21/80/45/869218045.db2.gz RIFJIDGJOKOZJG-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000524549825 869241214 /nfs/dbraw/zinc/24/12/14/869241214.db2.gz RBENECXUCQXNFD-HXUWFJFHSA-N 1 0 377.488 3.597 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[N@@H+]1C1CC1 ZINC000440918347 869263976 /nfs/dbraw/zinc/26/39/76/869263976.db2.gz AVCXCXHFUXWWHY-GOEBONIOSA-N 1 0 379.435 3.845 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cncc2ccccc21 ZINC000462420625 869385072 /nfs/dbraw/zinc/38/50/72/869385072.db2.gz GTEVPMDTTIVOSD-UHFFFAOYSA-N 1 0 386.499 3.629 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000793605347 882310067 /nfs/dbraw/zinc/31/00/67/882310067.db2.gz PWDSONWBXQEWIH-QHCPKHFHSA-N 1 0 398.551 3.869 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3c(C#N)nnc4ccccc43)cc2)C[C@H](C)O1 ZINC000524856609 869654483 /nfs/dbraw/zinc/65/44/83/869654483.db2.gz XNQPXGCKDRUVTG-IRXDYDNUSA-N 1 0 387.487 3.723 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121651633 869729373 /nfs/dbraw/zinc/72/93/73/869729373.db2.gz JXUUUFJRSXQFOM-KRWDZBQOSA-N 1 0 388.581 3.541 20 30 GHEDRO N#CC1(NC(=O)CCOc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000539799427 869802934 /nfs/dbraw/zinc/80/29/34/869802934.db2.gz GCAOYPPREVDYDQ-UHFFFAOYSA-N 1 0 397.906 3.783 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cc(C#N)ccc1F ZINC000745893203 869868225 /nfs/dbraw/zinc/86/82/25/869868225.db2.gz PZHVUQZGMBUWIC-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(Oc3ccc(F)cc3)c(C)c2)CC1 ZINC000746014910 869946996 /nfs/dbraw/zinc/94/69/96/869946996.db2.gz QETDRCZUYSSJDN-UHFFFAOYSA-N 1 0 380.463 3.888 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+](C)C ZINC000508861261 869958745 /nfs/dbraw/zinc/95/87/45/869958745.db2.gz HRIHDHLZXOAGGN-LAUBAEHRSA-N 1 0 376.504 3.846 20 30 GHEDRO CC(C)[C@@H](CC(F)(F)F)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000446708868 870211131 /nfs/dbraw/zinc/21/11/31/870211131.db2.gz UNTNFKOSSJBQKS-GOSISDBHSA-N 1 0 396.457 3.753 20 30 GHEDRO COc1ccc(OC2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000525270530 870243765 /nfs/dbraw/zinc/24/37/65/870243765.db2.gz YCSSLAWQEJCXQM-UHFFFAOYSA-N 1 0 390.443 3.660 20 30 GHEDRO C=C(C)COc1cc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)ccc1OC ZINC000462869141 870248526 /nfs/dbraw/zinc/24/85/26/870248526.db2.gz DVVQZZJUCFEINH-OAQYLSRUSA-N 1 0 382.504 3.829 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446715954 870250247 /nfs/dbraw/zinc/25/02/47/870250247.db2.gz GEXHWHKFQOTCRX-YADARESESA-N 1 0 391.515 3.994 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2ccccc2)n1 ZINC000540066249 870303700 /nfs/dbraw/zinc/30/37/00/870303700.db2.gz NMBKCENTFYPOSO-FQEVSTJZSA-N 1 0 389.478 3.856 20 30 GHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508863899 870304589 /nfs/dbraw/zinc/30/45/89/870304589.db2.gz LXIMKJUVRAJWAG-XLIONFOSSA-N 1 0 381.524 3.794 20 30 GHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508863897 870304764 /nfs/dbraw/zinc/30/47/64/870304764.db2.gz LXIMKJUVRAJWAG-PXNSSMCTSA-N 1 0 381.524 3.794 20 30 GHEDRO C=CC[C@H]1N(C(=O)NCc2ccncc2OCCC[NH+](C)C)CCCC1(C)C ZINC000461528667 870325336 /nfs/dbraw/zinc/32/53/36/870325336.db2.gz CCHPLGLNEDOODZ-HXUWFJFHSA-N 1 0 388.556 3.688 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793771588 882426640 /nfs/dbraw/zinc/42/66/40/882426640.db2.gz YZBWQHXCJYJMCK-NRFANRHFSA-N 1 0 383.565 3.561 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000775546795 870654474 /nfs/dbraw/zinc/65/44/74/870654474.db2.gz FZIZZCJZNRJAQK-WMLDXEAASA-N 1 0 394.393 3.742 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1-n1cnc2ccc(C[NH3+])cc21 ZINC001168848719 870928945 /nfs/dbraw/zinc/92/89/45/870928945.db2.gz WBLPREZQUPVLQE-UHFFFAOYSA-N 1 0 378.233 3.667 20 30 GHEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CN1C(=O)OC(C)(C)C ZINC001168879282 870966380 /nfs/dbraw/zinc/96/63/80/870966380.db2.gz GNUHBULJBDCJQT-YVWKXTFCSA-N 1 0 385.508 3.799 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943937 871029891 /nfs/dbraw/zinc/02/98/91/871029891.db2.gz GDJCUMDVONFCPC-ZJSXRUAMSA-N 1 0 388.511 3.809 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)c(OC)cc1C ZINC001193384051 871068575 /nfs/dbraw/zinc/06/85/75/871068575.db2.gz NQZRSVDFGCVDCB-FQEVSTJZSA-N 1 0 394.515 3.963 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000463213758 871161114 /nfs/dbraw/zinc/16/11/14/871161114.db2.gz NWFGVLQZFMZORN-DODNOZFWSA-N 1 0 387.564 3.806 20 30 GHEDRO CC(=O)N(C)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191465985 882481913 /nfs/dbraw/zinc/48/19/13/882481913.db2.gz DKCGGWBJDJPXNN-UHFFFAOYSA-N 1 0 375.516 3.829 20 30 GHEDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000461896721 871183265 /nfs/dbraw/zinc/18/32/65/871183265.db2.gz YLXVWBMEDJKWHP-GUDVDZBRSA-N 1 0 391.515 3.587 20 30 GHEDRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCc2sccc2C1 ZINC000181598842 871243967 /nfs/dbraw/zinc/24/39/67/871243967.db2.gz BCZOKJHUHLHRCD-SFHVURJKSA-N 1 0 394.588 3.621 20 30 GHEDRO CC[N@H+](CCC1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1)CC(C)C ZINC000539099015 871309096 /nfs/dbraw/zinc/30/90/96/871309096.db2.gz SNMPXZJYNUWCNX-QFIPXVFZSA-N 1 0 385.552 3.852 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000463273535 871341640 /nfs/dbraw/zinc/34/16/40/871341640.db2.gz MBYDHKVVUUVHGW-WMZHIEFXSA-N 1 0 388.515 3.776 20 30 GHEDRO CCCCCCCOC(=O)N1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001194003095 871425606 /nfs/dbraw/zinc/42/56/06/871425606.db2.gz KDRKEGOHVKNYMX-UHFFFAOYSA-N 1 0 376.545 3.958 20 30 GHEDRO CSc1cncc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001194100549 871504943 /nfs/dbraw/zinc/50/49/43/871504943.db2.gz BKDNEKYIQPXGSM-WGSAOQKQSA-N 1 0 380.517 3.587 20 30 GHEDRO C[C@@H](O)C[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441255525 871516099 /nfs/dbraw/zinc/51/60/99/871516099.db2.gz DWGHJOPLBXBLEE-UONOGXRCSA-N 1 0 391.924 3.526 20 30 GHEDRO COc1nc2ccccc2cc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000525833441 871519994 /nfs/dbraw/zinc/51/99/94/871519994.db2.gz VYSUMTOZIUJILO-UHFFFAOYSA-N 1 0 388.471 3.990 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000467585581 871565152 /nfs/dbraw/zinc/56/51/52/871565152.db2.gz CFTSTIURCIJXDQ-UHFFFAOYSA-N 1 0 378.904 3.566 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540594941 871656143 /nfs/dbraw/zinc/65/61/43/871656143.db2.gz KJCVWMGWHGIOPT-GOSISDBHSA-N 1 0 391.515 3.862 20 30 GHEDRO N#Cc1cc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)nc(C2CC2)n1 ZINC001169607600 871669479 /nfs/dbraw/zinc/66/94/79/871669479.db2.gz BMZMGSUAPIJBII-UHFFFAOYSA-N 1 0 387.365 3.569 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCc1cccc(Br)c1 ZINC000463416826 871669933 /nfs/dbraw/zinc/66/99/33/871669933.db2.gz OBHMNOIOAAZMDG-OAHLLOKOSA-N 1 0 392.341 3.655 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc2c(ccc3ccccc23)o1 ZINC000181962822 871672431 /nfs/dbraw/zinc/67/24/31/871672431.db2.gz JFIIFQIVJPDMIC-NAJQJYEQSA-N 1 0 375.428 3.763 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC001194505897 871755464 /nfs/dbraw/zinc/75/54/64/871755464.db2.gz XPTLZSBTTIDWDV-ISKFKSNPSA-N 1 0 389.499 3.764 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000618741239 871905388 /nfs/dbraw/zinc/90/53/88/871905388.db2.gz CICUAUHEZHIFCB-QGZVFWFLSA-N 1 0 385.261 3.869 20 30 GHEDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000447576545 871919614 /nfs/dbraw/zinc/91/96/14/871919614.db2.gz ZEYJGZHWRVSXKV-SJLPKXTDSA-N 1 0 389.293 3.801 20 30 GHEDRO O=C(c1ccc(C#CBr)cc1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001194806590 871961006 /nfs/dbraw/zinc/96/10/06/871961006.db2.gz QLZHDHXJMNWWFI-UHFFFAOYSA-N 1 0 395.300 3.672 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000618797186 872006250 /nfs/dbraw/zinc/00/62/50/872006250.db2.gz FHDIRUATLBPOEX-RBUKOAKNSA-N 1 0 380.517 3.743 20 30 GHEDRO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCCCCCC1 ZINC000775620068 872015717 /nfs/dbraw/zinc/01/57/17/872015717.db2.gz WPKONSXWWOOJII-IBGZPJMESA-N 1 0 388.581 3.502 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618812902 872020241 /nfs/dbraw/zinc/02/02/41/872020241.db2.gz IHCZBCCPYXTLCH-IERDGZPVSA-N 1 0 376.504 3.974 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000477861937 872036593 /nfs/dbraw/zinc/03/65/93/872036593.db2.gz QNBXNMDCIFEQTR-RBUKOAKNSA-N 1 0 389.927 3.866 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618840359 872051133 /nfs/dbraw/zinc/05/11/33/872051133.db2.gz BZRXPFBOJKLXCZ-NRFANRHFSA-N 1 0 396.922 3.972 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000463579651 872064685 /nfs/dbraw/zinc/06/46/85/872064685.db2.gz YOKLOMPCYKWPOJ-MJGOQNOKSA-N 1 0 380.488 3.653 20 30 GHEDRO COc1cc(C#N)ccc1C[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766915612 872072699 /nfs/dbraw/zinc/07/26/99/872072699.db2.gz DLUKWMBBZGZXCN-UHFFFAOYSA-N 1 0 385.508 3.931 20 30 GHEDRO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001195153267 872219226 /nfs/dbraw/zinc/21/92/26/872219226.db2.gz AVFGQJJJXFMHAE-FCHUYYIVSA-N 1 0 382.529 3.990 20 30 GHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000763521408 872236376 /nfs/dbraw/zinc/23/63/76/872236376.db2.gz RFROOWLGYSLEGD-FALLCTENSA-N 1 0 397.563 3.776 20 30 GHEDRO COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000552244734 872300218 /nfs/dbraw/zinc/30/02/18/872300218.db2.gz IQQQCAPRNDDBPC-BBRMVZONSA-N 1 0 387.480 3.865 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)ccc1Cl ZINC000540884319 872384477 /nfs/dbraw/zinc/38/44/77/872384477.db2.gz SWOKJSACHLXCEZ-UHFFFAOYSA-N 1 0 381.907 3.992 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NCCOC)cc1 ZINC000022792800 872390057 /nfs/dbraw/zinc/39/00/57/872390057.db2.gz XFCLDMDHBCJCQL-UHFFFAOYSA-O 1 0 397.973 3.816 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CNc3ccnn3C2)cc1 ZINC000619265104 872493373 /nfs/dbraw/zinc/49/33/73/872493373.db2.gz OZUBGPFJNQVKJI-FQEVSTJZSA-N 1 0 375.451 3.638 20 30 GHEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000921149498 882634222 /nfs/dbraw/zinc/63/42/22/882634222.db2.gz ZNBZCGLVLLRUEA-MRXNPFEDSA-N 1 0 379.932 3.792 20 30 GHEDRO Clc1cccc(C#CCN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001195778106 872655817 /nfs/dbraw/zinc/65/58/17/872655817.db2.gz PKWCIJPSCUEQOF-XZOQPEGZSA-N 1 0 380.919 3.667 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC(CC#N)CC2)ccc1OC ZINC000541040392 872782368 /nfs/dbraw/zinc/78/23/68/872782368.db2.gz BIRJPBICUBTZPY-UHFFFAOYSA-N 1 0 388.512 3.573 20 30 GHEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000619611759 872784328 /nfs/dbraw/zinc/78/43/28/872784328.db2.gz QCPFYSMJGSVVHQ-VQTJNVASSA-N 1 0 387.483 3.688 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001195986897 872787041 /nfs/dbraw/zinc/78/70/41/872787041.db2.gz UUFXDEKIZGMFCR-VAMGGRTRSA-N 1 0 392.515 3.835 20 30 GHEDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000767874324 872928427 /nfs/dbraw/zinc/92/84/27/872928427.db2.gz GGSUMTDMTGOQPF-AWEZNQCLSA-N 1 0 388.851 3.645 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877474 872932222 /nfs/dbraw/zinc/93/22/22/872932222.db2.gz PNLHNTMZMCYDMK-OGWOLHLISA-N 1 0 381.442 3.938 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000619762384 872975234 /nfs/dbraw/zinc/97/52/34/872975234.db2.gz VOWCEQLNTWHSAK-NRFANRHFSA-N 1 0 394.494 3.797 20 30 GHEDRO N#Cc1cc(O)cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000619778971 872994262 /nfs/dbraw/zinc/99/42/62/872994262.db2.gz VMSAIXZLHOUECB-BJKOFHAPSA-N 1 0 397.478 3.662 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001196311217 873004392 /nfs/dbraw/zinc/00/43/92/873004392.db2.gz BVYJOESQGIGRJG-UHFFFAOYSA-N 1 0 376.529 3.853 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619788249 873029185 /nfs/dbraw/zinc/02/91/85/873029185.db2.gz CXMLUPVMPKFNKF-UHFFFAOYSA-N 1 0 386.883 3.864 20 30 GHEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000619809731 873062645 /nfs/dbraw/zinc/06/26/45/873062645.db2.gz HLQXIZHYWYOXSI-IRLDBZIGSA-N 1 0 398.457 3.589 20 30 GHEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000191976869 882690382 /nfs/dbraw/zinc/69/03/82/882690382.db2.gz QDZDYSSUSFXWDH-UHFFFAOYSA-N 1 0 383.517 3.546 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000768504687 873343530 /nfs/dbraw/zinc/34/35/30/873343530.db2.gz VTVPJIRIMLKVFJ-HOTGVXAUSA-N 1 0 389.594 3.702 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc1 ZINC000768539947 873371977 /nfs/dbraw/zinc/37/19/77/873371977.db2.gz WEXXOZCAOUYVGK-HXUWFJFHSA-N 1 0 377.488 3.643 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)n2)[C@@H]1c1cccs1 ZINC000443516146 873417585 /nfs/dbraw/zinc/41/75/85/873417585.db2.gz DOIPDESAERFLNG-YVEFUNNKSA-N 1 0 380.439 3.950 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC(C)C)c1 ZINC001196868587 873444793 /nfs/dbraw/zinc/44/47/93/873444793.db2.gz DOZOFYBZJRKMGY-INIZCTEOSA-N 1 0 381.314 3.617 20 30 GHEDRO CC(C)n1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000443524621 873518237 /nfs/dbraw/zinc/51/82/37/873518237.db2.gz UVJLMOYXVIMNGP-LLVKDONJSA-N 1 0 396.442 3.763 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000768768128 873537643 /nfs/dbraw/zinc/53/76/43/873537643.db2.gz HQYVIVYOFPJFST-UHFFFAOYSA-N 1 0 386.293 3.739 20 30 GHEDRO COc1cccc([C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[NH2+]2)c1 ZINC001197167586 873635129 /nfs/dbraw/zinc/63/51/29/873635129.db2.gz JEMYIAUPPLSLHT-HXUWFJFHSA-N 1 0 390.405 3.592 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000448623087 873684314 /nfs/dbraw/zinc/68/43/14/873684314.db2.gz QFPTXMXIAGBJSG-UHFFFAOYSA-N 1 0 390.409 3.562 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000769025964 873749214 /nfs/dbraw/zinc/74/92/14/873749214.db2.gz PCEIPDNCKBUYDM-UHFFFAOYSA-N 1 0 396.918 3.880 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@]4(C#N)C[C@H]4C)cc3)CC2)c1 ZINC000448693338 873783547 /nfs/dbraw/zinc/78/35/47/873783547.db2.gz BTDQNKUIOMYSPM-DVECYGJZSA-N 1 0 388.515 3.806 20 30 GHEDRO Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)nn1C1CCC1 ZINC001197443870 873789139 /nfs/dbraw/zinc/78/91/39/873789139.db2.gz FIOPRNZPTYXLOZ-MXVIHJGJSA-N 1 0 391.519 3.701 20 30 GHEDRO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000769108075 873814028 /nfs/dbraw/zinc/81/40/28/873814028.db2.gz YBCWXAQZXHKGJA-UHFFFAOYSA-N 1 0 379.504 3.654 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000769327033 873967392 /nfs/dbraw/zinc/96/73/92/873967392.db2.gz UCMKLHYDJDJWIK-UHFFFAOYSA-N 1 0 395.478 3.577 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000769419144 874034983 /nfs/dbraw/zinc/03/49/83/874034983.db2.gz LCARVYXQLIHCOG-INIZCTEOSA-N 1 0 378.394 3.526 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)cc1 ZINC000769420943 874035664 /nfs/dbraw/zinc/03/56/64/874035664.db2.gz UKXXZFWYTUAEBY-DOTOQJQBSA-N 1 0 392.421 3.937 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769424698 874047131 /nfs/dbraw/zinc/04/71/31/874047131.db2.gz NXNPMZOXKPNPQR-YLJYHZDGSA-N 1 0 386.540 3.772 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4CCc5cc(F)ccc5C4)C3)CC2=O)c1 ZINC001168438947 874195333 /nfs/dbraw/zinc/19/53/33/874195333.db2.gz PGFSTRVYWJDHJW-XUZZJYLKSA-N 1 0 389.474 3.684 20 30 GHEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(=NNc3nc(=O)c4cnn(C(C)(C)C)c4[nH]3)CC2)C1 ZINC000769810997 874301528 /nfs/dbraw/zinc/30/15/28/874301528.db2.gz WYTDMIKSLBCFQL-GOEBONIOSA-N 1 0 399.543 3.729 20 30 GHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429495830 874322821 /nfs/dbraw/zinc/32/28/21/874322821.db2.gz WVHLNXPAYLBJRZ-DLBZAZTESA-N 1 0 375.538 3.764 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000464730429 874364315 /nfs/dbraw/zinc/36/43/15/874364315.db2.gz CISRGMXVDKFAMR-HNNXBMFYSA-N 1 0 385.405 3.710 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(C#N)cc1F ZINC000769969291 874369253 /nfs/dbraw/zinc/36/92/53/874369253.db2.gz QMOQHQYZFHSBRO-HNNXBMFYSA-N 1 0 379.435 3.642 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)cc1 ZINC001198386654 874383763 /nfs/dbraw/zinc/38/37/63/874383763.db2.gz GIRKARHJVYUWCQ-UHFFFAOYSA-N 1 0 393.556 3.896 20 30 GHEDRO Cc1ccc(CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]2CCCO2)cc1 ZINC000464779116 874474384 /nfs/dbraw/zinc/47/43/84/874474384.db2.gz PGRIZEZFBRLZKF-JOCHJYFZSA-N 1 0 391.515 3.919 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000541895686 874483909 /nfs/dbraw/zinc/48/39/09/874483909.db2.gz KUJCGWQOOBSYLD-NQIIRXRSSA-N 1 0 387.487 3.618 20 30 GHEDRO CN(C)c1ccc(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000775884585 874541354 /nfs/dbraw/zinc/54/13/54/874541354.db2.gz MJGCANCTMUMAKR-UHFFFAOYSA-N 1 0 376.504 3.832 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775884963 874545104 /nfs/dbraw/zinc/54/51/04/874545104.db2.gz QKCQJYWMEHCUCQ-SFHVURJKSA-N 1 0 382.552 3.663 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2C[C@H](C)[C@@H](C)C2)c1C#N ZINC000464836334 874575218 /nfs/dbraw/zinc/57/52/18/874575218.db2.gz KHUDHQVYESPUIO-GJZGRUSLSA-N 1 0 382.483 3.690 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000464830016 874595299 /nfs/dbraw/zinc/59/52/99/874595299.db2.gz NTOKYNLQJGDKQH-VXKWHMMOSA-N 1 0 387.483 3.835 20 30 GHEDRO CC1(C#N)CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000449197722 874597017 /nfs/dbraw/zinc/59/70/17/874597017.db2.gz XGKUDCYFAXAEQA-UHFFFAOYSA-N 1 0 392.341 3.848 20 30 GHEDRO C[C@@H](C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449228575 874618432 /nfs/dbraw/zinc/61/84/32/874618432.db2.gz ZGCJEEMWNQFQKK-HNNXBMFYSA-N 1 0 395.446 3.854 20 30 GHEDRO N#CCC1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000541952474 874622217 /nfs/dbraw/zinc/62/22/17/874622217.db2.gz WMNWYQHDNAWVML-GOSISDBHSA-N 1 0 379.426 3.822 20 30 GHEDRO COc1cccc2c(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cccc12 ZINC000449281919 874667136 /nfs/dbraw/zinc/66/71/36/874667136.db2.gz DZSGCGRFGKMLES-JOCHJYFZSA-N 1 0 385.467 3.611 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(C#N)cc1 ZINC000271719520 874782071 /nfs/dbraw/zinc/78/20/71/874782071.db2.gz XLGBDBJOEYNPGB-ZDUSSCGKSA-N 1 0 385.851 3.662 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(=O)N2CCc3ccccc32)cc1OC ZINC000858130527 882867265 /nfs/dbraw/zinc/86/72/65/882867265.db2.gz OWWIKLLRJNDWCR-UHFFFAOYSA-N 1 0 386.879 3.592 20 30 GHEDRO COc1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000528674836 874869524 /nfs/dbraw/zinc/86/95/24/874869524.db2.gz HNWHCEYXSHWOJU-UHFFFAOYSA-N 1 0 375.831 3.823 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000770808328 874877905 /nfs/dbraw/zinc/87/79/05/874877905.db2.gz RPIUWUWXIIRLQF-HNNXBMFYSA-N 1 0 388.489 3.792 20 30 GHEDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000449441901 874894507 /nfs/dbraw/zinc/89/45/07/874894507.db2.gz UYZPMQZLSDSFTJ-QFIPXVFZSA-N 1 0 379.504 3.730 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1OC ZINC000178235555 882877231 /nfs/dbraw/zinc/87/72/31/882877231.db2.gz BWUHWFKEVHKHGF-AZUAARDMSA-N 1 0 399.535 3.647 20 30 GHEDRO Cc1ccc2c(CCC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c[nH]c2c1 ZINC000465026446 874965952 /nfs/dbraw/zinc/96/59/52/874965952.db2.gz CDOROZNCBMAFHC-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449515620 874983053 /nfs/dbraw/zinc/98/30/53/874983053.db2.gz AJAGMXBUDMBFNW-BZSNNMDCSA-N 1 0 378.582 3.806 20 30 GHEDRO CC1CCC(N(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C2CC2)CC1 ZINC000528783695 875054974 /nfs/dbraw/zinc/05/49/74/875054974.db2.gz QODZLGWPOJRGCP-UHFFFAOYSA-N 1 0 395.547 3.723 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000121544213 875159614 /nfs/dbraw/zinc/15/96/14/875159614.db2.gz LAFCVBIOBLGEQP-KRWDZBQOSA-N 1 0 382.460 3.731 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(Cc3cccnc3)CC2)cc1C ZINC000771459760 875257324 /nfs/dbraw/zinc/25/73/24/875257324.db2.gz IEGJFCDNPQMTAX-UHFFFAOYSA-N 1 0 390.531 3.900 20 30 GHEDRO COc1cccc([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)[NH+](C)C)c1 ZINC000858176549 882910850 /nfs/dbraw/zinc/91/08/50/882910850.db2.gz BCVDRRIGCCKGJA-QFIPXVFZSA-N 1 0 391.515 3.798 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528939236 875296435 /nfs/dbraw/zinc/29/64/35/875296435.db2.gz NKRGSHPXBHQRED-NRFANRHFSA-N 1 0 396.535 3.639 20 30 GHEDRO CC(C)OCCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000449726387 875310473 /nfs/dbraw/zinc/31/04/73/875310473.db2.gz KSAFRIAWZUTWFX-UHFFFAOYSA-N 1 0 396.535 3.870 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1OCC ZINC000449734443 875318457 /nfs/dbraw/zinc/31/84/57/875318457.db2.gz BPGZAEYTZCCETI-GOEBONIOSA-N 1 0 384.314 3.663 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3c(O)cccc3Br)CCOCC2)c1 ZINC000858191898 882927006 /nfs/dbraw/zinc/92/70/06/882927006.db2.gz DSHFRFCDFKGACQ-UHFFFAOYSA-N 1 0 387.277 3.822 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](NC(=S)Nc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC001201137400 875520750 /nfs/dbraw/zinc/52/07/50/875520750.db2.gz NPMHXBNBPFBLKF-IUODEOHRSA-N 1 0 395.370 3.726 20 30 GHEDRO C[N@@H+]1CCN(C(=S)Nc2ccc(C#N)cc2Br)C2(CCCC2)C1 ZINC001201124034 875537584 /nfs/dbraw/zinc/53/75/84/875537584.db2.gz FESMVKZSDLMADI-UHFFFAOYSA-N 1 0 393.354 3.578 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449884731 875572575 /nfs/dbraw/zinc/57/25/75/875572575.db2.gz FVFAQNAITGNCNN-WZGPROSRSA-N 1 0 396.453 3.796 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000106038142 875712422 /nfs/dbraw/zinc/71/24/22/875712422.db2.gz AWXWZTMEYCSFJD-UHFFFAOYSA-N 1 0 381.520 3.873 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001272468953 875810329 /nfs/dbraw/zinc/81/03/29/875810329.db2.gz FDHMVDUPIZRBDT-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO COCc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1C#N ZINC000529207790 875827544 /nfs/dbraw/zinc/82/75/44/875827544.db2.gz GUKVRFBCCABNQF-SFHVURJKSA-N 1 0 392.503 3.690 20 30 GHEDRO COCc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C#N ZINC000529210281 875833536 /nfs/dbraw/zinc/83/35/36/875833536.db2.gz JYMBQTPKKKFHGQ-UHFFFAOYSA-N 1 0 378.476 3.622 20 30 GHEDRO COCc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1C#N ZINC000529212896 875837836 /nfs/dbraw/zinc/83/78/36/875837836.db2.gz WRXAHLYLDHCCOJ-OAQYLSRUSA-N 1 0 378.476 3.663 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)c1c(F)cccc1F ZINC000271876877 875839601 /nfs/dbraw/zinc/83/96/01/875839601.db2.gz OIXSYSFTEZUCSR-GGAORHGYSA-N 1 0 399.485 3.903 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000858245918 882972656 /nfs/dbraw/zinc/97/26/56/882972656.db2.gz YJZWMLKPQCOHLV-QFIPXVFZSA-N 1 0 398.938 3.685 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCc2ccco2)C1 ZINC001201826472 875892625 /nfs/dbraw/zinc/89/26/25/875892625.db2.gz XHPAOGDCOIISCV-NRSPTQNISA-N 1 0 376.541 3.983 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001201839253 875899648 /nfs/dbraw/zinc/89/96/48/875899648.db2.gz JGMNLDUSUBBRPZ-NJYVYQBISA-N 1 0 380.573 3.512 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1C ZINC000772404331 875911314 /nfs/dbraw/zinc/91/13/14/875911314.db2.gz LAHTVJAMABQFKO-UHFFFAOYSA-N 1 0 398.617 3.575 20 30 GHEDRO COc1cccc2c1CCC[C@@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC001201963791 875956290 /nfs/dbraw/zinc/95/62/90/875956290.db2.gz WEPKTPZXMYNXKS-KNQAVFIVSA-N 1 0 389.499 3.599 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCc3cccnc3)cc2)CC1 ZINC000106325919 875971566 /nfs/dbraw/zinc/97/15/66/875971566.db2.gz KMEKKZAODLXZED-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000529367636 876042950 /nfs/dbraw/zinc/04/29/50/876042950.db2.gz RTTZRGNTMVNAMP-NRFANRHFSA-N 1 0 392.478 3.694 20 30 GHEDRO C[NH+](C)Cc1cc(-c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)ccc1F ZINC000550998504 882994060 /nfs/dbraw/zinc/99/40/60/882994060.db2.gz DDNPCZKVUKZOQI-UHFFFAOYSA-N 1 0 391.328 3.890 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cccc(C)c2C)cc1 ZINC000151911587 876104856 /nfs/dbraw/zinc/10/48/56/876104856.db2.gz LZVNXFMFWYDITI-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cc(C)cc(C)c2)cc1 ZINC000151914261 876107739 /nfs/dbraw/zinc/10/77/39/876107739.db2.gz MVUJSBMPDJFUIH-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000450317298 876249380 /nfs/dbraw/zinc/24/93/80/876249380.db2.gz SNUBPHXQYYTWFU-OAHLLOKOSA-N 1 0 377.330 3.808 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000107713931 876388379 /nfs/dbraw/zinc/38/83/79/876388379.db2.gz ZDJGPORQJOLHLK-LJQANCHMSA-N 1 0 377.410 3.878 20 30 GHEDRO C[NH+](C)[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000450445960 876426305 /nfs/dbraw/zinc/42/63/05/876426305.db2.gz KKQXPTNXGYNXSA-OAHLLOKOSA-N 1 0 379.342 3.595 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000108518485 876483180 /nfs/dbraw/zinc/48/31/80/876483180.db2.gz OKORMKNBTOXEAE-QGZVFWFLSA-N 1 0 383.517 3.794 20 30 GHEDRO CC[C@@H](C(=O)OC[C@@H](C#N)Cc1ccccc1Br)[NH+](CC)CC ZINC000786639514 876860843 /nfs/dbraw/zinc/86/08/43/876860843.db2.gz MQCNSTSCJBLCDH-PBHICJAKSA-N 1 0 381.314 3.795 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC000850404995 876885775 /nfs/dbraw/zinc/88/57/75/876885775.db2.gz HJUWVXRWFOWWFU-UHFFFAOYSA-N 1 0 382.504 3.511 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c1 ZINC000850412854 876891209 /nfs/dbraw/zinc/89/12/09/876891209.db2.gz BLPDVIVVLXSCNV-UHFFFAOYSA-N 1 0 378.476 3.579 20 30 GHEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)c1 ZINC000850445793 876928207 /nfs/dbraw/zinc/92/82/07/876928207.db2.gz WRSWLFDSEQIHEP-SFHVURJKSA-N 1 0 391.368 3.823 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1C ZINC000786879522 877002094 /nfs/dbraw/zinc/00/20/94/877002094.db2.gz HUMLRNCSRXQQPL-OAQYLSRUSA-N 1 0 397.519 3.500 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1OC ZINC000850715491 877120833 /nfs/dbraw/zinc/12/08/33/877120833.db2.gz JDCDTYODKDJUFZ-HBQPOOCKSA-N 1 0 384.520 3.654 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1 ZINC000747200770 883105882 /nfs/dbraw/zinc/10/58/82/883105882.db2.gz ITFQLNZHMDWASP-UHFFFAOYSA-N 1 0 383.517 3.776 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000450999331 877205005 /nfs/dbraw/zinc/20/50/05/877205005.db2.gz CAJAVWJLZBFLOO-PKOBYXMFSA-N 1 0 380.467 3.735 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000174793833 877253308 /nfs/dbraw/zinc/25/33/08/877253308.db2.gz VVQOQQQNXYMKGI-IERDGZPVSA-N 1 0 389.565 3.798 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000610001249 877274526 /nfs/dbraw/zinc/27/45/26/877274526.db2.gz MTZOGGACCMPTBD-KRWDZBQOSA-N 1 0 388.943 3.738 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=S)Nc3ccccc3C#N)cc2)CC1 ZINC000774567280 912224560 /nfs/dbraw/zinc/22/45/60/912224560.db2.gz SBQMGKQMMRONDQ-UHFFFAOYSA-N 1 0 379.533 3.898 20 30 GHEDRO C[C@@H]([C@H](OC(=O)Cc1cccc(OCC#N)c1)c1ccccc1)[NH+]1CCCC1 ZINC000851132953 877437598 /nfs/dbraw/zinc/43/75/98/877437598.db2.gz MHQNKWIEKLTHIA-MBSDFSHPSA-N 1 0 378.472 3.900 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1[C@@H]1Cc3ccccc3CN1CC2 ZINC001183075946 912235194 /nfs/dbraw/zinc/23/51/94/912235194.db2.gz KAGKDGFDHYKPLH-QHCPKHFHSA-N 1 0 387.527 3.933 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000477360800 877486936 /nfs/dbraw/zinc/48/69/36/877486936.db2.gz PBDYYYCXOFSTMD-GOSISDBHSA-N 1 0 396.491 3.813 20 30 GHEDRO C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000551605812 877528837 /nfs/dbraw/zinc/52/88/37/877528837.db2.gz HYMJFRGQRMPWLE-UHFFFAOYSA-N 1 0 385.552 3.618 20 30 GHEDRO C#CCC[N@@H+](CCOC)Cc1cc(Br)cc(C)c1OC(F)F ZINC001183053774 912247982 /nfs/dbraw/zinc/24/79/82/912247982.db2.gz QUHDCYNKVFBVJD-UHFFFAOYSA-N 1 0 376.241 3.831 20 30 GHEDRO N#C[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC001183132114 912276189 /nfs/dbraw/zinc/27/61/89/912276189.db2.gz IKWRSMZZJHSOHJ-CVEARBPZSA-N 1 0 388.298 3.903 20 30 GHEDRO C=CC[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1)c1ccncc1 ZINC000851656530 877854521 /nfs/dbraw/zinc/85/45/21/877854521.db2.gz MKRBHJQCBKBOLU-FKBYEOEOSA-N 1 0 394.519 3.542 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1C#N ZINC000451476919 877988837 /nfs/dbraw/zinc/98/88/37/877988837.db2.gz GVNMHPDAMKMLAB-UIFIKXQLSA-N 1 0 398.551 3.823 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)cc1 ZINC000451498802 878049477 /nfs/dbraw/zinc/04/94/77/878049477.db2.gz NUAOKDJZTKTGNM-PMACEKPBSA-N 1 0 387.524 3.514 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)c1ccc(F)c(F)c1 ZINC000477751291 878135196 /nfs/dbraw/zinc/13/51/96/878135196.db2.gz PRDKVABTMJNRJA-FXAWDEMLSA-N 1 0 395.494 3.724 20 30 GHEDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000451596451 878224426 /nfs/dbraw/zinc/22/44/26/878224426.db2.gz FXWCOENGRJIFDV-PXNSSMCTSA-N 1 0 391.581 3.706 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)N2CCOCC2)cc1 ZINC000237886850 878234679 /nfs/dbraw/zinc/23/46/79/878234679.db2.gz YICKJHSHLBAQGL-XMMPIXPASA-N 1 0 393.531 3.841 20 30 GHEDRO CS(=O)(=O)C[C@H]1CCCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451649085 878263990 /nfs/dbraw/zinc/26/39/90/878263990.db2.gz HQGFFQRPKFMZPV-JOCHJYFZSA-N 1 0 396.556 3.785 20 30 GHEDRO COc1cccc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)oc21 ZINC000068310243 878287382 /nfs/dbraw/zinc/28/73/82/878287382.db2.gz QTCSXJNQDGJZRA-UHFFFAOYSA-N 1 0 377.444 3.517 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000068310094 878288242 /nfs/dbraw/zinc/28/82/42/878288242.db2.gz PGQIXYOOLJHABN-MSOLQXFVSA-N 1 0 381.442 3.817 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc2ccccc2n1C ZINC000530692362 878297079 /nfs/dbraw/zinc/29/70/79/878297079.db2.gz QEMMLKISVKQZAN-UHFFFAOYSA-N 1 0 396.564 3.672 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3ccc(OCC#N)cc3)cc2)C1 ZINC000110630348 878333808 /nfs/dbraw/zinc/33/38/08/878333808.db2.gz GCPFUHYLRFZBND-IBGZPJMESA-N 1 0 391.515 3.680 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176648174 878338761 /nfs/dbraw/zinc/33/87/61/878338761.db2.gz FGHCHLIIFBKUBO-UHFFFAOYSA-N 1 0 399.560 3.603 20 30 GHEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473542 878354730 /nfs/dbraw/zinc/35/47/30/878354730.db2.gz OSTOLTLJVFUBDE-YJBOKZPZSA-N 1 0 397.416 3.853 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc4ccccc4[nH]c3=O)C2)c(F)c1 ZINC000237947284 878387916 /nfs/dbraw/zinc/38/79/16/878387916.db2.gz HSRAXLBMXVVHLW-SFHVURJKSA-N 1 0 376.435 3.710 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285568248 912342863 /nfs/dbraw/zinc/34/28/63/912342863.db2.gz NOIVARFKSPXWBQ-KSZLIROESA-N 1 0 386.565 3.578 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000285578158 912347957 /nfs/dbraw/zinc/34/79/57/912347957.db2.gz IAKODQKRUPWVAI-UHFFFAOYSA-N 1 0 396.466 3.834 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC000852605409 878461446 /nfs/dbraw/zinc/46/14/46/878461446.db2.gz ZAQCCZHLWMWVSG-LJQANCHMSA-N 1 0 393.453 3.614 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(CCc4ccccc4)CC3)CC2)cc1 ZINC000285583527 912349540 /nfs/dbraw/zinc/34/95/40/912349540.db2.gz ITYBYUNJGIXNKO-UHFFFAOYSA-N 1 0 388.559 3.824 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176928633 878483027 /nfs/dbraw/zinc/48/30/27/878483027.db2.gz DMGDKZSVPCPVTK-UHFFFAOYSA-N 1 0 379.382 3.979 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000245730625 878490949 /nfs/dbraw/zinc/49/09/49/878490949.db2.gz JQVJWJUXTYGREX-CVEARBPZSA-N 1 0 395.341 3.691 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@]2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001275119953 912358754 /nfs/dbraw/zinc/35/87/54/912358754.db2.gz ZDORMULUMOCLOT-SFHVURJKSA-N 1 0 378.479 3.993 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460785225 878558186 /nfs/dbraw/zinc/55/81/86/878558186.db2.gz RUUXRFURSIAFSC-UHFFFAOYSA-N 1 0 388.519 3.629 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731980 878563121 /nfs/dbraw/zinc/56/31/21/878563121.db2.gz OVYFNUJFTMCKNK-GKCIPKSASA-N 1 0 385.895 3.886 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)CN2CC3(CCC3)[C@@H]2c2ccco2)c(OC)c1 ZINC000451845785 878597428 /nfs/dbraw/zinc/59/74/28/878597428.db2.gz VNEFYYUZOSMREE-GCJKJVERSA-N 1 0 383.488 3.984 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)CCC[NH2+]1 ZINC000852857585 878635465 /nfs/dbraw/zinc/63/54/65/878635465.db2.gz XWIRCSYSYNZNPM-QFIPXVFZSA-N 1 0 379.508 3.698 20 30 GHEDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000538001507 878650296 /nfs/dbraw/zinc/65/02/96/878650296.db2.gz CCJHHRZDSARPPJ-UHFFFAOYSA-N 1 0 376.481 3.919 20 30 GHEDRO O=[N+]([O-])c1ccc(N=NCC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000853256653 878938520 /nfs/dbraw/zinc/93/85/20/878938520.db2.gz WLFBJLRADDEQBD-UHFFFAOYSA-N 1 0 383.408 3.813 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OCC ZINC000538165128 878943596 /nfs/dbraw/zinc/94/35/96/878943596.db2.gz ZJQOGYMKUMXRDJ-QYWGDWMGSA-N 1 0 375.513 3.578 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(OCCCC)cc1)[n+]1ccc(C)cc1 ZINC000789403235 878948502 /nfs/dbraw/zinc/94/85/02/878948502.db2.gz LSXHJJFHJVATMK-UHFFFAOYSA-O 1 0 381.521 3.895 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176521 878982460 /nfs/dbraw/zinc/98/24/60/878982460.db2.gz TZBNCJUDOAUSNB-UXHICEINSA-N 1 0 383.488 3.667 20 30 GHEDRO NC(=NOCc1cccc2ccccc21)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776639 878996492 /nfs/dbraw/zinc/99/64/92/878996492.db2.gz KNRCOPHAWNKJQX-UHFFFAOYSA-N 1 0 389.499 3.634 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000178453689 879122027 /nfs/dbraw/zinc/12/20/27/879122027.db2.gz QBANOYCGGUDKJZ-UHFFFAOYSA-N 1 0 391.231 3.848 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000068883570 879138929 /nfs/dbraw/zinc/13/89/29/879138929.db2.gz VNHNLNGAJKHQLU-FQEVSTJZSA-N 1 0 394.475 3.567 20 30 GHEDRO N#Cc1ncc(Br)cc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000853618660 879175543 /nfs/dbraw/zinc/17/55/43/879175543.db2.gz LOWQCFBKIXHQFU-FQEVSTJZSA-N 1 0 397.320 3.818 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246216432 879236581 /nfs/dbraw/zinc/23/65/81/879236581.db2.gz OLSNEWUZIVGKAR-MSOLQXFVSA-N 1 0 388.581 3.683 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc3ccccc3n2Cc2ccccc2C)CC1 ZINC000180815222 879375818 /nfs/dbraw/zinc/37/58/18/879375818.db2.gz NSOOVMYEBWUMBG-UHFFFAOYSA-N 1 0 386.499 3.677 20 30 GHEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180873822 879437344 /nfs/dbraw/zinc/43/73/44/879437344.db2.gz URKBFPRABHOFMC-KJXVGZKYSA-N 1 0 391.471 3.539 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C)C1CC[NH+](C)CC1 ZINC000914342271 879660971 /nfs/dbraw/zinc/66/09/71/879660971.db2.gz STCBFGSOENLIME-KRWDZBQOSA-N 1 0 396.560 3.919 20 30 GHEDRO C=CCOCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670022240 879674978 /nfs/dbraw/zinc/67/49/78/879674978.db2.gz MDAZPUZPDSIMNY-ZNBHLAFESA-N 1 0 391.943 3.756 20 30 GHEDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000854370425 879762789 /nfs/dbraw/zinc/76/27/89/879762789.db2.gz OEYKINQDMHXYGG-OAQYLSRUSA-N 1 0 377.488 3.597 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493957835 879773550 /nfs/dbraw/zinc/77/35/50/879773550.db2.gz JTZUNKJVUKDUMT-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO C=CCSCC[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000494048817 879854637 /nfs/dbraw/zinc/85/46/37/879854637.db2.gz MBRJRSWCQNXLCF-HXUWFJFHSA-N 1 0 375.559 3.997 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)CC2)cc1 ZINC000461455963 879866576 /nfs/dbraw/zinc/86/65/76/879866576.db2.gz MNYGYUQYCIKLOB-FGZHOGPDSA-N 1 0 385.511 3.570 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)o2)cc1 ZINC000461448398 879887372 /nfs/dbraw/zinc/88/73/72/879887372.db2.gz YCJBWPJJAWMHMD-IBGZPJMESA-N 1 0 393.487 3.678 20 30 GHEDRO Cc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c(OCC[NH+](C)C)c1 ZINC000790660975 879924684 /nfs/dbraw/zinc/92/46/84/879924684.db2.gz HBJPFGFUYIOTIA-UHFFFAOYSA-N 1 0 390.405 3.944 20 30 GHEDRO CC(C)[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1CCCCC1 ZINC000609163380 879926248 /nfs/dbraw/zinc/92/62/48/879926248.db2.gz JQQWFDGOLFEKMV-KRWDZBQOSA-N 1 0 383.414 3.948 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)cc1 ZINC000790994564 880123701 /nfs/dbraw/zinc/12/37/01/880123701.db2.gz CIVPRJRCSNESRS-UHFFFAOYSA-N 1 0 392.480 3.899 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001183454555 912549245 /nfs/dbraw/zinc/54/92/45/912549245.db2.gz LUIBSKVSJZITPB-UGSOOPFHSA-N 1 0 383.879 3.694 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000184559328 880331548 /nfs/dbraw/zinc/33/15/48/880331548.db2.gz QWDSTNHDNOEVLV-UHFFFAOYSA-N 1 0 396.329 3.928 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)ccc1OC ZINC000113211557 880408782 /nfs/dbraw/zinc/40/87/82/880408782.db2.gz PFEZSMZOLQXPDZ-DENIHFKCSA-N 1 0 395.503 3.685 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)c1C#N ZINC000286124305 912578082 /nfs/dbraw/zinc/57/80/82/912578082.db2.gz MJZVPNHIYFCXCU-FXAWDEMLSA-N 1 0 386.540 3.561 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)cc1 ZINC000113331647 880517260 /nfs/dbraw/zinc/51/72/60/880517260.db2.gz ZIJYEDAUSLWDQB-XMMPIXPASA-N 1 0 390.527 3.973 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c(C)nc3sc(C)cn23)ccc1OC ZINC000113348180 880521625 /nfs/dbraw/zinc/52/16/25/880521625.db2.gz UATYVMMSGMKWID-INIZCTEOSA-N 1 0 384.505 3.992 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc(Br)cc1)C(C)C ZINC000531841368 880586889 /nfs/dbraw/zinc/58/68/89/880586889.db2.gz JRCCRWAZKZGOAZ-OAHLLOKOSA-N 1 0 380.330 3.668 20 30 GHEDRO CC(C)(C)C[NH+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)CC(C)(C)C ZINC000774640454 912592096 /nfs/dbraw/zinc/59/20/96/912592096.db2.gz UGIYVARTWXHTAQ-UHFFFAOYSA-N 1 0 384.524 3.674 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000185844213 880708502 /nfs/dbraw/zinc/70/85/02/880708502.db2.gz AVEVOYOQBHLFSG-BPXKWBHBSA-N 1 0 398.528 3.860 20 30 GHEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000185927099 880732948 /nfs/dbraw/zinc/73/29/48/880732948.db2.gz AZCCGJSFMZTVRZ-LPHOPBHVSA-N 1 0 392.341 3.510 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000453435698 880940213 /nfs/dbraw/zinc/94/02/13/880940213.db2.gz GXZYMZVRYHYGTF-SFTDATJTSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000453462223 880963657 /nfs/dbraw/zinc/96/36/57/880963657.db2.gz HCFSEQUNNRKGIJ-UFYCRDLUSA-N 1 0 387.572 3.797 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000114017012 881056856 /nfs/dbraw/zinc/05/68/56/881056856.db2.gz CHBOAOZZPCGGTL-CTNGQTDRSA-N 1 0 398.482 3.609 20 30 GHEDRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C#N)c(F)c2)cn1 ZINC000792374324 881062414 /nfs/dbraw/zinc/06/24/14/881062414.db2.gz BCJBXUDDWBONQJ-QFIPXVFZSA-N 1 0 378.451 3.650 20 30 GHEDRO Cc1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000856413773 881215932 /nfs/dbraw/zinc/21/59/32/881215932.db2.gz SJXAAIPUMZFLFB-UHFFFAOYSA-N 1 0 390.531 3.818 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC3(CCC3)CC2)c1=S ZINC000795713715 912655566 /nfs/dbraw/zinc/65/55/66/912655566.db2.gz KWHKOXQMOHXAFS-UHFFFAOYSA-N 1 0 389.613 3.852 20 30 GHEDRO C[C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000120143129 881334292 /nfs/dbraw/zinc/33/42/92/881334292.db2.gz LWSATYNNPZLDAE-HNNXBMFYSA-N 1 0 380.330 3.637 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(Br)cnc2OC)cc1 ZINC000858495256 883149121 /nfs/dbraw/zinc/14/91/21/883149121.db2.gz YUDKSSCRDIMMAX-ZDUSSCGKSA-N 1 0 375.266 3.716 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccc(OCC#N)cc1 ZINC000858519692 883169496 /nfs/dbraw/zinc/16/94/96/883169496.db2.gz JHINMDFBUVAPNY-SCLBCKFNSA-N 1 0 387.842 3.838 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508789603 883236703 /nfs/dbraw/zinc/23/67/03/883236703.db2.gz HRPLBBFYYZAEDK-UHFFFAOYSA-N 1 0 396.583 3.808 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000609515503 883281743 /nfs/dbraw/zinc/28/17/43/883281743.db2.gz CIKYTLFIEMZVPJ-IRXDYDNUSA-N 1 0 378.476 3.596 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1 ZINC001129933576 883324081 /nfs/dbraw/zinc/32/40/81/883324081.db2.gz WGLUEOUUBNSEJA-YADHBBJMSA-N 1 0 391.540 3.524 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000476882473 883324997 /nfs/dbraw/zinc/32/49/97/883324997.db2.gz JGFCSHJQXXWCJK-JTSKRJEESA-N 1 0 376.504 3.829 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000609599655 883402522 /nfs/dbraw/zinc/40/25/22/883402522.db2.gz KHPWHXSVYDRXPZ-UHFFFAOYSA-N 1 0 380.439 3.906 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(C(=O)OC)cc1 ZINC000551165548 883406144 /nfs/dbraw/zinc/40/61/44/883406144.db2.gz SFWLNEUORZTPKK-NHCUHLMSSA-N 1 0 391.471 3.581 20 30 GHEDRO COc1ccc(C2=NO[C@H](C[NH2+]C3CC(C#N)(c4ccccc4)C3)C2)cc1C ZINC001183619796 912705230 /nfs/dbraw/zinc/70/52/30/912705230.db2.gz NXJWOVTZLDPHDQ-KQVJYAISSA-N 1 0 375.472 3.710 20 30 GHEDRO CC(C)Oc1ncccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000609598452 883431945 /nfs/dbraw/zinc/43/19/45/883431945.db2.gz IXTWQVZXZFMOLS-UHFFFAOYSA-N 1 0 375.476 3.936 20 30 GHEDRO CN(CCC(F)(F)F)[C@H](CNC1=[NH+]CCCN1C)c1ccc(Cl)cc1 ZINC000263062219 883521622 /nfs/dbraw/zinc/52/16/22/883521622.db2.gz FPVUCTHVFRUFID-OAHLLOKOSA-N 1 0 376.854 3.546 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000805014170 883531211 /nfs/dbraw/zinc/53/12/11/883531211.db2.gz SBHXHRLAPKPOAY-DNQXCXABSA-N 1 0 389.543 3.832 20 30 GHEDRO C=C(C)[C@H](NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(F)c(F)c1 ZINC000476998548 883536670 /nfs/dbraw/zinc/53/66/70/883536670.db2.gz UGIYOJQHHJEAAZ-IBGZPJMESA-N 1 0 395.494 3.771 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)cc1 ZINC000609739627 883621046 /nfs/dbraw/zinc/62/10/46/883621046.db2.gz FJCRITFKSRVQFQ-UHFFFAOYSA-N 1 0 381.907 3.783 20 30 GHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC000192691711 883662286 /nfs/dbraw/zinc/66/22/86/883662286.db2.gz ODARSJRPJUPFEJ-WIYYLYMNSA-N 1 0 393.510 3.719 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1F ZINC000805236024 883679633 /nfs/dbraw/zinc/67/96/33/883679633.db2.gz LILQAFSTRMPGMX-SLFFLAALSA-N 1 0 385.870 3.898 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194455221 883828275 /nfs/dbraw/zinc/82/82/75/883828275.db2.gz JBPXNQQXSCLPHQ-JOCHJYFZSA-N 1 0 393.531 3.915 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C(F)(F)F)cn2)C(=S)NC(C)C)cc1 ZINC000286466744 912761254 /nfs/dbraw/zinc/76/12/54/912761254.db2.gz KORSLBKUOUZUSR-UHFFFAOYSA-O 1 0 382.431 3.633 20 30 GHEDRO [NH2+]=C(NCc1ccc(OC(F)F)c(F)c1)Nc1ccc2c(c1)OCCCO2 ZINC000263111051 883947051 /nfs/dbraw/zinc/94/70/51/883947051.db2.gz KZWFFFBOXYKDGR-UHFFFAOYSA-N 1 0 381.354 3.515 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)c(OC)c1 ZINC000859633793 883960682 /nfs/dbraw/zinc/96/06/82/883960682.db2.gz JRDRVCTYXUMPDK-SFHVURJKSA-N 1 0 395.503 3.918 20 30 GHEDRO Cc1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1-c1ccccc1 ZINC000237869290 883997701 /nfs/dbraw/zinc/99/77/01/883997701.db2.gz NQRNUDTWKIUAIX-IBGZPJMESA-N 1 0 389.478 3.950 20 30 GHEDRO Fc1ccc(-c2noc(CC3CC[NH+](CC#Cc4ccccc4)CC3)n2)nc1 ZINC001183768751 912778749 /nfs/dbraw/zinc/77/87/49/912778749.db2.gz MFKQDLZXPHJXGF-UHFFFAOYSA-N 1 0 376.435 3.577 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793973 884081166 /nfs/dbraw/zinc/08/11/66/884081166.db2.gz MHQDQZWCPRYLPA-XMSQKQJNSA-N 1 0 393.572 3.523 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000897616747 884170369 /nfs/dbraw/zinc/17/03/69/884170369.db2.gz XWORRIYXYYBLQN-UKRRQHHQSA-N 1 0 376.382 3.776 20 30 GHEDRO Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000859932190 884181704 /nfs/dbraw/zinc/18/17/04/884181704.db2.gz AXPGLDZGRPBGTD-UHFFFAOYSA-N 1 0 391.519 3.780 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000918700734 884189453 /nfs/dbraw/zinc/18/94/53/884189453.db2.gz ANTFSCMAAXKCLL-NTMALXAHSA-N 1 0 386.536 3.852 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cc(Br)ccc3O)CC2)C1=O ZINC001275241927 912797794 /nfs/dbraw/zinc/79/77/94/912797794.db2.gz NGWOJPZCHRAESB-UHFFFAOYSA-N 1 0 393.325 3.545 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](Cc3ccc(OCC#N)cc3)C[C@]2(C)C1 ZINC000860032740 884275214 /nfs/dbraw/zinc/27/52/14/884275214.db2.gz SROCTMZFZIINEN-SZPZYZBQSA-N 1 0 385.508 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000860035365 884275484 /nfs/dbraw/zinc/27/54/84/884275484.db2.gz OFBYHJQDIHUFDE-OYRHEFFESA-N 1 0 391.556 3.666 20 30 GHEDRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1ccccc1OCC#N ZINC001212604813 884307152 /nfs/dbraw/zinc/30/71/52/884307152.db2.gz WPZBFKRFIXGCAU-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]2CCCO[C@@H]21 ZINC000556295805 884393432 /nfs/dbraw/zinc/39/34/32/884393432.db2.gz LSJQCEANOQNIJV-ZMYBRWDISA-N 1 0 387.549 3.620 20 30 GHEDRO CN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610430662 884501939 /nfs/dbraw/zinc/50/19/39/884501939.db2.gz HAUFKUSQLSJHON-NRFANRHFSA-N 1 0 386.499 3.901 20 30 GHEDRO N#Cc1c(NC(=O)CN2CCC([C@@H]3CCOC3)CC2)sc2c1CCCCC2 ZINC000612130321 884567908 /nfs/dbraw/zinc/56/79/08/884567908.db2.gz CHSDZPXXQVQNSC-MRXNPFEDSA-N 1 0 387.549 3.576 20 30 GHEDRO CC(C)n1ncc2cc(CO[NH+]=C(N)c3ccc(N4CCCCC4)cc3)cnc21 ZINC000842032952 884605895 /nfs/dbraw/zinc/60/58/95/884605895.db2.gz KRGQKYXLBNEUHT-UHFFFAOYSA-N 1 0 392.507 3.840 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286702446 912860237 /nfs/dbraw/zinc/86/02/37/912860237.db2.gz BIIQYQPHUYFADQ-ZIFCJYIRSA-N 1 0 386.565 3.578 20 30 GHEDRO C[C@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000860647845 884876008 /nfs/dbraw/zinc/87/60/08/884876008.db2.gz AAGYFMGXTSWFHD-GHTZIAJQSA-N 1 0 375.516 3.863 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000170643622 884898657 /nfs/dbraw/zinc/89/86/57/884898657.db2.gz BQBTUXMNHFHHBQ-UHFFFAOYSA-N 1 0 390.306 3.990 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000109760963 884925945 /nfs/dbraw/zinc/92/59/45/884925945.db2.gz LJYALWPBJWGHDB-UHFFFAOYSA-N 1 0 375.428 3.888 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000106243142 885004590 /nfs/dbraw/zinc/00/45/90/885004590.db2.gz UECDHOLFEXTBJY-KRWDZBQOSA-N 1 0 378.944 3.791 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)CSc2ccccc2OC)CC1 ZINC000106271084 885023796 /nfs/dbraw/zinc/02/37/96/885023796.db2.gz NUTVSUYCDYRRCB-KRWDZBQOSA-N 1 0 391.581 3.763 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000154943774 885251913 /nfs/dbraw/zinc/25/19/13/885251913.db2.gz SMEBTYCJIKNZCA-UHFFFAOYSA-N 1 0 398.894 3.536 20 30 GHEDRO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001168486348 885376499 /nfs/dbraw/zinc/37/64/99/885376499.db2.gz LKLKTIRLWWRACR-SBUREZEXSA-N 1 0 377.463 3.757 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000807469704 885465224 /nfs/dbraw/zinc/46/52/24/885465224.db2.gz KJCCZRFQWKUDPV-DHIUTWEWSA-N 1 0 381.564 3.919 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1C#N ZINC000843786073 885690885 /nfs/dbraw/zinc/69/08/85/885690885.db2.gz USTIBFPXMKLILR-UHFFFAOYSA-N 1 0 394.544 3.886 20 30 GHEDRO N#CC1(NC(=O)C2CC(c3cccc(F)c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000537591256 885775362 /nfs/dbraw/zinc/77/53/62/885775362.db2.gz SAVAMOJSKNNKPM-UHFFFAOYSA-N 1 0 391.490 3.994 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)C(C)(C)C ZINC000487914442 885898495 /nfs/dbraw/zinc/89/84/95/885898495.db2.gz KAIPGRZSSHDXDQ-OAHLLOKOSA-N 1 0 381.318 3.809 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000282110765 886079872 /nfs/dbraw/zinc/07/98/72/886079872.db2.gz WZGISPLCWTXQLR-UHFFFAOYSA-N 1 0 389.927 3.588 20 30 GHEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000532586971 886190287 /nfs/dbraw/zinc/19/02/87/886190287.db2.gz YAZJYNCVPSLVCN-GOSISDBHSA-N 1 0 387.487 3.992 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000762467530 886245231 /nfs/dbraw/zinc/24/52/31/886245231.db2.gz DHJFXAYYIVFCEL-IBGZPJMESA-N 1 0 386.492 3.915 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1OC ZINC000862322406 886290352 /nfs/dbraw/zinc/29/03/52/886290352.db2.gz LLSAIKSWEYKLRO-INIZCTEOSA-N 1 0 381.900 3.888 20 30 GHEDRO C=C(Br)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747501574 886449551 /nfs/dbraw/zinc/44/95/51/886449551.db2.gz QSHKZHGNJAQFEP-LJQANCHMSA-N 1 0 392.341 3.593 20 30 GHEDRO C[C@H](SCc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499043593 886473526 /nfs/dbraw/zinc/47/35/26/886473526.db2.gz MOCVRKODVKIIGD-SFHVURJKSA-N 1 0 381.545 3.770 20 30 GHEDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cccc(C#N)c1Br ZINC001131446643 886800893 /nfs/dbraw/zinc/80/08/93/886800893.db2.gz OXIVHOKRTFSPNH-HIFRSBDPSA-N 1 0 378.314 3.656 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000119284567 886890321 /nfs/dbraw/zinc/89/03/21/886890321.db2.gz ZVLATPJQLCOBCK-MOPGFXCFSA-N 1 0 379.504 3.964 20 30 GHEDRO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000532649577 886900175 /nfs/dbraw/zinc/90/01/75/886900175.db2.gz LCXFANQEMFHFOH-DENIHFKCSA-N 1 0 390.531 3.872 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)CC1 ZINC000171718774 887031650 /nfs/dbraw/zinc/03/16/50/887031650.db2.gz ODWBUDLOZPELLK-UHFFFAOYSA-N 1 0 395.478 3.767 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 ZINC000171719722 887053158 /nfs/dbraw/zinc/05/31/58/887053158.db2.gz LMOKYLBQCRTLTL-UHFFFAOYSA-N 1 0 392.425 3.580 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000122684225 887100846 /nfs/dbraw/zinc/10/08/46/887100846.db2.gz KIWFVRWPPLXVPB-UHFFFAOYSA-N 1 0 390.959 3.640 20 30 GHEDRO C#CCC1(c2nc(-c3ccc(OCC[NH+](C)C)c(OC)c3)no2)CCCCC1 ZINC000809317689 887293137 /nfs/dbraw/zinc/29/31/37/887293137.db2.gz VYZGDMQTEJWQEL-UHFFFAOYSA-N 1 0 383.492 3.911 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NCc3cc(C#N)ccc3N(C)C)cc2)C1 ZINC000864023845 887522626 /nfs/dbraw/zinc/52/26/26/887522626.db2.gz QKDVFARVEUMYIH-GOSISDBHSA-N 1 0 378.520 3.957 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000131874764 887585577 /nfs/dbraw/zinc/58/55/77/887585577.db2.gz HMHDHMROMAKDFZ-GOSISDBHSA-N 1 0 381.524 3.559 20 30 GHEDRO C=C(C)CN1CCC([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000809614660 887588483 /nfs/dbraw/zinc/58/84/83/887588483.db2.gz SQOSCKNXUCWWIG-UHFFFAOYSA-N 1 0 385.552 3.665 20 30 GHEDRO CCC[N@H+](C)[C@H](C/N=C/c1c(O)c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000794678438 887750247 /nfs/dbraw/zinc/75/02/47/887750247.db2.gz BGCQRYPMQXHAHV-AZHVYHFMSA-N 1 0 375.900 3.743 20 30 GHEDRO CCC[N@H+](C)[C@H](C/N=C\c1c(O)c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000794678441 887750505 /nfs/dbraw/zinc/75/05/05/887750505.db2.gz BGCQRYPMQXHAHV-VCYKRWNGSA-N 1 0 375.900 3.743 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000670230751 887762876 /nfs/dbraw/zinc/76/28/76/887762876.db2.gz PNJTZGNEJLYUBV-OAQYLSRUSA-N 1 0 379.552 3.704 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000193845968 887784439 /nfs/dbraw/zinc/78/44/39/887784439.db2.gz VTDUAOSPMGLQMJ-UHFFFAOYSA-N 1 0 381.442 3.619 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(C#N)c1 ZINC001184403099 913186005 /nfs/dbraw/zinc/18/60/05/913186005.db2.gz KEPKWUWQADYIFM-QGZVFWFLSA-N 1 0 378.863 3.934 20 30 GHEDRO N#Cc1cc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cnc1F ZINC001170594611 888071747 /nfs/dbraw/zinc/07/17/47/888071747.db2.gz DZHBJWXHDHSGLA-JOCHJYFZSA-N 1 0 390.462 3.568 20 30 GHEDRO CC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000810042780 888088972 /nfs/dbraw/zinc/08/89/72/888088972.db2.gz JIIJSNABGUBHMD-SJORKVTESA-N 1 0 378.476 3.503 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(ccnc2Cl)o1 ZINC000865040090 888154846 /nfs/dbraw/zinc/15/48/46/888154846.db2.gz JBCBSXBDAKBGKW-UHFFFAOYSA-N 1 0 382.851 3.557 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC000810164416 888223134 /nfs/dbraw/zinc/22/31/34/888223134.db2.gz WQVVCGSDQZOEBQ-HYFFOGBASA-N 1 0 387.524 3.960 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(C(=O)OCc4ccccc4)cc3)n2c1 ZINC000810167173 888227917 /nfs/dbraw/zinc/22/79/17/888227917.db2.gz BSUHFIGWUVYYPF-UHFFFAOYSA-N 1 0 396.450 3.853 20 30 GHEDRO COc1ccc(C[NH2+]C(C)(C)COc2ncccc2Br)cc1C#N ZINC000120452591 888269318 /nfs/dbraw/zinc/26/93/18/888269318.db2.gz PTWDGPKBRIMEEY-UHFFFAOYSA-N 1 0 390.281 3.672 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000810189352 888275492 /nfs/dbraw/zinc/27/54/92/888275492.db2.gz OWOHFWNJUHXAHE-UHIISALHSA-N 1 0 392.359 3.788 20 30 GHEDRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000194388835 888288618 /nfs/dbraw/zinc/28/86/18/888288618.db2.gz IJSORRCYIIVSPX-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCCCC1 ZINC000810281036 888377095 /nfs/dbraw/zinc/37/70/95/888377095.db2.gz USNAWEKXMTWHAB-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000111899688 888401459 /nfs/dbraw/zinc/40/14/59/888401459.db2.gz OCRSZDAYCWOBCP-VGOFRKELSA-N 1 0 376.504 3.565 20 30 GHEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000194084612 888554832 /nfs/dbraw/zinc/55/48/32/888554832.db2.gz QLKZOXIRCXLUHL-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000794891720 888700588 /nfs/dbraw/zinc/70/05/88/888700588.db2.gz HWQPQUGHIAOCBZ-JOCHJYFZSA-N 1 0 375.451 3.885 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3sccc3Cl)C2)C1=O ZINC001275313474 913270992 /nfs/dbraw/zinc/27/09/92/913270992.db2.gz FFXLIYBLSOCTGM-DYESRHJHSA-N 1 0 384.932 3.853 20 30 GHEDRO N#CCOc1cccc(CC(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000810833974 888922478 /nfs/dbraw/zinc/92/24/78/888922478.db2.gz AWXXDRHSOSOXPI-NRFANRHFSA-N 1 0 378.472 3.729 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cn2)cc1 ZINC001132575563 889129057 /nfs/dbraw/zinc/12/90/57/889129057.db2.gz GQQJNOWGWPBACA-QFIPXVFZSA-N 1 0 399.498 3.654 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344201 889206673 /nfs/dbraw/zinc/20/66/73/889206673.db2.gz YPHGSVOTSJMAIK-IBGZPJMESA-N 1 0 383.879 3.544 20 30 GHEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000867954123 889235239 /nfs/dbraw/zinc/23/52/39/889235239.db2.gz JAJJHINHQWPWSK-QUCCMNQESA-N 1 0 388.496 3.718 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000465529371 889252011 /nfs/dbraw/zinc/25/20/11/889252011.db2.gz WHNYHUJESVEKEK-XZOQPEGZSA-N 1 0 388.515 3.526 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000454549868 889259054 /nfs/dbraw/zinc/25/90/54/889259054.db2.gz QTPXJOIVVFLKDJ-MRXNPFEDSA-N 1 0 392.341 3.598 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C(F)(F)F)c1 ZINC000868209051 889352957 /nfs/dbraw/zinc/35/29/57/889352957.db2.gz GGTISFQYMNHAPO-KSZLIROESA-N 1 0 394.441 3.725 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000868253223 889370627 /nfs/dbraw/zinc/37/06/27/889370627.db2.gz LYUVDJLMEXXBER-LJQANCHMSA-N 1 0 384.524 3.527 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000868283811 889385017 /nfs/dbraw/zinc/38/50/17/889385017.db2.gz IBBUNUHVBRXXQL-MOPGFXCFSA-N 1 0 377.916 3.510 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)C3(c4cccc(C#N)c4)CC3)CCCCC2)CCO1 ZINC000532938272 889387860 /nfs/dbraw/zinc/38/78/60/889387860.db2.gz SHJKHABTSJATHC-UHFFFAOYSA-N 1 0 395.547 3.520 20 30 GHEDRO C[C@H](NC(=O)N(C)CCc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000868483569 889462659 /nfs/dbraw/zinc/46/26/59/889462659.db2.gz GCVKYMNRXHCISZ-CVDCTZTESA-N 1 0 390.531 3.653 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000454695908 889533704 /nfs/dbraw/zinc/53/37/04/889533704.db2.gz PZZAGESDYLHIRB-UHFFFAOYSA-N 1 0 380.492 3.907 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)CC1 ZINC000173580163 889692552 /nfs/dbraw/zinc/69/25/52/889692552.db2.gz KHZGAYIUSWCKRV-UHFFFAOYSA-N 1 0 375.488 3.581 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000454757812 889696414 /nfs/dbraw/zinc/69/64/14/889696414.db2.gz KKSXEOLBTXEALV-PXNSSMCTSA-N 1 0 397.523 3.705 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000533089443 889754788 /nfs/dbraw/zinc/75/47/88/889754788.db2.gz KDGLMHQZUODLFT-WOJBJXKFSA-N 1 0 395.547 3.614 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533178634 889914927 /nfs/dbraw/zinc/91/49/27/889914927.db2.gz WJILQCSOTDLFFN-HKUYNNGSSA-N 1 0 375.806 3.551 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cccc(OC)n1)[n+]1ccc(C(CC)CC)cc1 ZINC000811726277 889925321 /nfs/dbraw/zinc/92/53/21/889925321.db2.gz NYGJCGVQADFWAI-UHFFFAOYSA-O 1 0 396.536 3.715 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454928880 890006493 /nfs/dbraw/zinc/00/64/93/890006493.db2.gz SHUKWGHSDUQKCQ-NRFANRHFSA-N 1 0 394.494 3.797 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000533251338 890097357 /nfs/dbraw/zinc/09/73/57/890097357.db2.gz JLUBDYFBLSARAQ-NRFANRHFSA-N 1 0 398.595 3.992 20 30 GHEDRO CC(C)C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000533254926 890104733 /nfs/dbraw/zinc/10/47/33/890104733.db2.gz ZKUBHLOFJYCKRW-UHFFFAOYSA-N 1 0 387.487 3.841 20 30 GHEDRO COc1ccccc1CC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000533264190 890162249 /nfs/dbraw/zinc/16/22/49/890162249.db2.gz SUWNVANOXNUDEE-QFIPXVFZSA-N 1 0 389.499 3.627 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1C ZINC000125812662 890175876 /nfs/dbraw/zinc/17/58/76/890175876.db2.gz QULDGQINIYIEPB-GOSISDBHSA-N 1 0 379.504 3.819 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000533289593 890199684 /nfs/dbraw/zinc/19/96/84/890199684.db2.gz RLTKGEQLMNPQJI-FSTYKVKCSA-N 1 0 383.536 3.804 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000795099946 890244953 /nfs/dbraw/zinc/24/49/53/890244953.db2.gz NDSBEWGJUSRFSL-QUCCMNQESA-N 1 0 385.508 3.658 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000812319049 890536831 /nfs/dbraw/zinc/53/68/31/890536831.db2.gz RPAOWIYYKSIZPU-VXKWHMMOSA-N 1 0 395.478 3.645 20 30 GHEDRO CCCc1c(NC(=O)N2CC[NH+]([C@@H](C)CC)CC2)cnn1-c1cccc(C#N)c1 ZINC000455232233 890564533 /nfs/dbraw/zinc/56/45/33/890564533.db2.gz SIJQHNZDXRRTDM-KRWDZBQOSA-N 1 0 394.523 3.644 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCc4cc(F)cc(F)c4C3)CC2)c1 ZINC001170676910 890587475 /nfs/dbraw/zinc/58/74/75/890587475.db2.gz IYRNQEQEIMBLIV-OAQYLSRUSA-N 1 0 381.470 3.948 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000533511891 890727111 /nfs/dbraw/zinc/72/71/11/890727111.db2.gz PHHGTWKECGBAEO-WDICNHQZSA-N 1 0 388.600 3.643 20 30 GHEDRO C[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)[NH+]1CCN(c2ccccc2)CC1 ZINC001184857168 913493686 /nfs/dbraw/zinc/49/36/86/913493686.db2.gz ZWUBBTWMNPAFNR-SFHVURJKSA-N 1 0 377.536 3.873 20 30 GHEDRO C#CCNC(=O)C1CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000747820249 890972472 /nfs/dbraw/zinc/97/24/72/890972472.db2.gz QMAMDLXUPBLZJE-HSZRJFAPSA-N 1 0 399.494 3.553 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(CC#N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000871724779 890992242 /nfs/dbraw/zinc/99/22/42/890992242.db2.gz IHUXCYNVLIWKJH-YLJYHZDGSA-N 1 0 377.492 3.664 20 30 GHEDRO N#CCc1ccnc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000871726972 890993618 /nfs/dbraw/zinc/99/36/18/890993618.db2.gz BBHALFPIYJHDJV-UHFFFAOYSA-N 1 0 389.503 3.668 20 30 GHEDRO N#Cc1ccc(OCc2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)o2)cc1 ZINC000871796703 891016272 /nfs/dbraw/zinc/01/62/72/891016272.db2.gz HKQISDZAIQGLCV-MQVJKMGUSA-N 1 0 376.416 3.778 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccc(F)cc1 ZINC000812877358 891057808 /nfs/dbraw/zinc/05/78/08/891057808.db2.gz XTRYFSRTPLYOIZ-QFIPXVFZSA-N 1 0 379.479 3.772 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000812881707 891061154 /nfs/dbraw/zinc/06/11/54/891061154.db2.gz YHAQXGJZHJCXKY-OXQOHEQNSA-N 1 0 385.508 3.773 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](CCOc3ccccc3C#N)CC2)cc1 ZINC000812862905 891077900 /nfs/dbraw/zinc/07/79/00/891077900.db2.gz ALPXGEFNQILZDR-QHCPKHFHSA-N 1 0 380.488 3.781 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000872221117 891213516 /nfs/dbraw/zinc/21/35/16/891213516.db2.gz WBADBAQIWNCXMD-IRXDYDNUSA-N 1 0 385.508 3.560 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](c2nc3ccccc3[nH]2)C2CCCCC2)CCOCC1 ZINC000872238575 891214587 /nfs/dbraw/zinc/21/45/87/891214587.db2.gz IPZHQWUPIMMUGO-NQIIRXRSSA-N 1 0 396.535 3.845 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c(-c2ccccc2)n1 ZINC000124013228 891221712 /nfs/dbraw/zinc/22/17/12/891221712.db2.gz ZBJVVWMVXUIWNP-LJQANCHMSA-N 1 0 382.414 3.565 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124233267 891317765 /nfs/dbraw/zinc/31/77/65/891317765.db2.gz HODPRLTYQBOLKV-AZUAARDMSA-N 1 0 382.467 3.788 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)[C@H]1c1cccs1 ZINC000247462325 891378763 /nfs/dbraw/zinc/37/87/63/891378763.db2.gz QVGYOXRJZRZZCV-PXNSSMCTSA-N 1 0 398.532 3.533 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)COc3cccc(C#N)c3)cc2)C1 ZINC000917154596 891528284 /nfs/dbraw/zinc/52/82/84/891528284.db2.gz NFIAMKLRYQQJNJ-OALUTQOASA-N 1 0 391.515 3.731 20 30 GHEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000614923457 891601028 /nfs/dbraw/zinc/60/10/28/891601028.db2.gz AJYUGZHYESKUHM-MRXNPFEDSA-N 1 0 389.805 3.584 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CC[NH+](CCC(C)(C)C)CC2)c1=S ZINC000127793113 892081366 /nfs/dbraw/zinc/08/13/66/892081366.db2.gz DJCXNWAJRMXROY-UHFFFAOYSA-N 1 0 389.569 3.871 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000497690387 892166454 /nfs/dbraw/zinc/16/64/54/892166454.db2.gz WFPNYPRINUQYBQ-GOSISDBHSA-N 1 0 387.549 3.993 20 30 GHEDRO CC[C@H](/[NH+]=C/c1ccc(N(CC)CC)cc1O)c1ccccc1OCC(=O)NC ZINC000917559288 892168720 /nfs/dbraw/zinc/16/87/20/892168720.db2.gz KDAJRWQXIQCYAK-RASHHNMQSA-N 1 0 397.519 3.933 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000729809726 892225501 /nfs/dbraw/zinc/22/55/01/892225501.db2.gz OLDFTJZHBKUJST-GMAHTHKFSA-N 1 0 387.483 3.635 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC(C(=O)Nc3ccccc3)CC2)c1C#N ZINC000611702475 892365452 /nfs/dbraw/zinc/36/54/52/892365452.db2.gz NYWGGNYORXHNOM-UHFFFAOYSA-N 1 0 399.498 3.903 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(C)cc1 ZINC000154492784 892417153 /nfs/dbraw/zinc/41/71/53/892417153.db2.gz VELKSSFVSBXRIZ-OAHLLOKOSA-O 1 0 387.525 3.627 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(CC#N)c2)CC1 ZINC000192501497 892626494 /nfs/dbraw/zinc/62/64/94/892626494.db2.gz AEBNIEFQFIOBDR-UHFFFAOYSA-N 1 0 382.895 3.800 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000933257685 892978103 /nfs/dbraw/zinc/97/81/03/892978103.db2.gz MEZLJHWLUUUABX-FXAWDEMLSA-N 1 0 377.488 3.692 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000933257687 892978234 /nfs/dbraw/zinc/97/82/34/892978234.db2.gz MEZLJHWLUUUABX-PXNSSMCTSA-N 1 0 377.488 3.692 20 30 GHEDRO OC[C@@H](CC(F)F)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000428638828 892978513 /nfs/dbraw/zinc/97/85/13/892978513.db2.gz HAECSGPQSFXBRW-BXKDBHETSA-N 1 0 381.263 3.664 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 ZINC000814658428 893014519 /nfs/dbraw/zinc/01/45/19/893014519.db2.gz CIHIOVXOKGMFSJ-FQEVSTJZSA-N 1 0 390.487 3.542 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000933556550 893076594 /nfs/dbraw/zinc/07/65/94/893076594.db2.gz XXINPUNPXIKNSU-UHFFFAOYSA-N 1 0 397.544 3.515 20 30 GHEDRO CCCC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000814727009 893104878 /nfs/dbraw/zinc/10/48/78/893104878.db2.gz GHHHYWGXDWRQFZ-UHFFFAOYSA-N 1 0 395.576 3.715 20 30 GHEDRO CCC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(N)c1 ZINC000814727807 893106876 /nfs/dbraw/zinc/10/68/76/893106876.db2.gz ZYLPIIJYIXFWIO-UHFFFAOYSA-N 1 0 395.576 3.512 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)OCC)CC2)cc1OC ZINC000778199055 893233960 /nfs/dbraw/zinc/23/39/60/893233960.db2.gz RBWVFIXFHOFEEI-MRXNPFEDSA-N 1 0 376.497 3.607 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000562987352 893246761 /nfs/dbraw/zinc/24/67/61/893246761.db2.gz HMPMQPXQWHFILW-LJQANCHMSA-N 1 0 392.330 3.879 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000876637768 893268634 /nfs/dbraw/zinc/26/86/34/893268634.db2.gz RPVDGSKRBOAZMV-QZTJIDSGSA-N 1 0 388.895 3.574 20 30 GHEDRO CN(C(=O)Nc1cnc(C#N)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000455787210 893273635 /nfs/dbraw/zinc/27/36/35/893273635.db2.gz NOOQZSRXUYPITB-UHFFFAOYSA-N 1 0 383.883 3.735 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1C ZINC000498103153 893278568 /nfs/dbraw/zinc/27/85/68/893278568.db2.gz YJMAREPAPAOMJK-LJQANCHMSA-N 1 0 393.535 3.685 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455788952 893282293 /nfs/dbraw/zinc/28/22/93/893282293.db2.gz OWDLUMGKQVQFHL-UHFFFAOYSA-N 1 0 397.910 3.983 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3cccc4ccccc43)CC2)c(F)c1 ZINC000815032355 893386622 /nfs/dbraw/zinc/38/66/22/893386622.db2.gz GCXFXYYYAGBWTF-QHCPKHFHSA-N 1 0 375.447 3.706 20 30 GHEDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000877118783 893494589 /nfs/dbraw/zinc/49/45/89/893494589.db2.gz MTWZHQASDYQVDA-SYYQRUDESA-N 1 0 379.441 3.956 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)C2=O)c1 ZINC001137117749 893552469 /nfs/dbraw/zinc/55/24/69/893552469.db2.gz DVWQIWRGNHRIQS-DEOSSOPVSA-N 1 0 389.499 3.522 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815200683 893553855 /nfs/dbraw/zinc/55/38/55/893553855.db2.gz IVWDIHDLZFGYAP-MOPGFXCFSA-N 1 0 393.572 3.523 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000536707949 893614240 /nfs/dbraw/zinc/61/42/40/893614240.db2.gz LQOYFUZSHSPQGI-UHFFFAOYSA-N 1 0 392.455 3.506 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)cc1 ZINC001137120533 893632885 /nfs/dbraw/zinc/63/28/85/893632885.db2.gz RQQAIKUYIAVXQK-UHFFFAOYSA-N 1 0 390.409 3.715 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000934558358 893712156 /nfs/dbraw/zinc/71/21/56/893712156.db2.gz ZUPXEIFIKMJANI-ZWKOTPCHSA-N 1 0 379.508 3.669 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC000877614446 893719627 /nfs/dbraw/zinc/71/96/27/893719627.db2.gz DHJJSYHCQYQLDL-HCXYKTFWSA-N 1 0 379.545 3.853 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563463936 893765118 /nfs/dbraw/zinc/76/51/18/893765118.db2.gz GXJNXBJFDAZPSS-LJQANCHMSA-N 1 0 378.476 3.648 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C[NH2+]Cc1cc(C#N)cnc1Cl)C2 ZINC000877730562 893780234 /nfs/dbraw/zinc/78/02/34/893780234.db2.gz FCBQCCNCRIAXMY-AYGBPOKTSA-N 1 0 390.915 3.874 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877757615 893795519 /nfs/dbraw/zinc/79/55/19/893795519.db2.gz OTFNFVGJAUYXPP-IRXDYDNUSA-N 1 0 379.545 3.711 20 30 GHEDRO CCOc1cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc(Br)c1O ZINC000459559199 893806077 /nfs/dbraw/zinc/80/60/77/893806077.db2.gz IKUWKYRZKSPWRZ-UHFFFAOYSA-N 1 0 391.265 3.723 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000459655774 893994093 /nfs/dbraw/zinc/99/40/93/893994093.db2.gz FKZDRKJYRNQPJN-CJNGLKHVSA-N 1 0 394.313 3.572 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000537124182 894347533 /nfs/dbraw/zinc/34/75/33/894347533.db2.gz DRGCVENZINIRDW-INIZCTEOSA-N 1 0 387.499 3.950 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NCCOC)cc1 ZINC000022794041 894405385 /nfs/dbraw/zinc/40/53/85/894405385.db2.gz JEJIAVHVLZJAQL-UHFFFAOYSA-O 1 0 385.553 3.835 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000564084222 894564574 /nfs/dbraw/zinc/56/45/74/894564574.db2.gz KOTOQWVICHHROQ-UHFFFAOYSA-N 1 0 386.569 3.598 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001135566706 894803760 /nfs/dbraw/zinc/80/37/60/894803760.db2.gz RSRDCKUFXDBZPS-MOPGFXCFSA-N 1 0 389.540 3.655 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000879136147 894856995 /nfs/dbraw/zinc/85/69/95/894856995.db2.gz JILAOLXJMWVQGK-QWFCFKBJSA-N 1 0 392.503 3.867 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)ccn1 ZINC000564440766 894984242 /nfs/dbraw/zinc/98/42/42/894984242.db2.gz AIPMZRHRYMJCNX-KRWDZBQOSA-N 1 0 391.475 3.695 20 30 GHEDRO N#CCOc1ccc(CC(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)cc1 ZINC000816767363 895061958 /nfs/dbraw/zinc/06/19/58/895061958.db2.gz WOZSLNWHAKPTRG-UHFFFAOYSA-N 1 0 390.443 3.507 20 30 GHEDRO N#Cc1cccc(C2(C(=O)N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC2)c1 ZINC000565114646 895393040 /nfs/dbraw/zinc/39/30/40/895393040.db2.gz MTTADDLWNRFTJD-DEOSSOPVSA-N 1 0 385.511 3.714 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H]1C(F)(F)F ZINC000880025244 895460212 /nfs/dbraw/zinc/46/02/12/895460212.db2.gz USBCBCDVHUWHAF-SJORKVTESA-N 1 0 397.441 3.888 20 30 GHEDRO COC[C@]1(C[NH2+][C@H](CCC#N)c2ccc(OC)cc2)OCCc2ccccc21 ZINC000565568479 895729078 /nfs/dbraw/zinc/72/90/78/895729078.db2.gz FVVJZZNZYSDGER-PKTZIBPZSA-N 1 0 380.488 3.744 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)C)[C@@H](C)C1 ZINC000565709688 895827506 /nfs/dbraw/zinc/82/75/06/895827506.db2.gz JRUQWTJDZACLIU-FXAWDEMLSA-N 1 0 380.540 3.639 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000565724518 895835940 /nfs/dbraw/zinc/83/59/40/895835940.db2.gz YQLXHKSMUXJLMP-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCn1cc(C[NH2+][C@@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)nn1 ZINC000818348157 896114967 /nfs/dbraw/zinc/11/49/67/896114967.db2.gz ZOXLLPMJRFKBEC-FUHWJXTLSA-N 1 0 377.533 3.512 20 30 GHEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000302876064 914037155 /nfs/dbraw/zinc/03/71/55/914037155.db2.gz NNHNTYOEIMCLMS-REWPJTCUSA-N 1 0 380.488 3.924 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1cccc(C#N)c1 ZINC000881136846 896187069 /nfs/dbraw/zinc/18/70/69/896187069.db2.gz JGTXVZTUPRMUCR-HTAPYJJXSA-N 1 0 389.503 3.725 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000881191162 896230624 /nfs/dbraw/zinc/23/06/24/896230624.db2.gz SQIKPYUPMPJKIE-UHFFFAOYSA-N 1 0 375.492 3.515 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)ccc1OC ZINC000187237951 896276889 /nfs/dbraw/zinc/27/68/89/896276889.db2.gz ZTHXYNQNSQKATD-IBGZPJMESA-N 1 0 393.487 3.575 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000566499189 896342258 /nfs/dbraw/zinc/34/22/58/896342258.db2.gz WLZKLDUFZSFWGE-JTHBVZDNSA-N 1 0 396.556 3.890 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001136195674 896447715 /nfs/dbraw/zinc/44/77/15/896447715.db2.gz DLCRHICQJSQUGY-FQEVSTJZSA-N 1 0 386.417 3.838 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)CCCCC2=O ZINC000566712856 896514522 /nfs/dbraw/zinc/51/45/22/896514522.db2.gz ULDZWORNQILGOL-UHFFFAOYSA-N 1 0 389.499 3.671 20 30 GHEDRO C=C[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC001136209294 896605545 /nfs/dbraw/zinc/60/55/45/896605545.db2.gz FRFYBNCAZOFGCI-YYDVJCTNSA-N 1 0 378.516 3.882 20 30 GHEDRO C=C(C)C(C)(C)C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000819539489 896792461 /nfs/dbraw/zinc/79/24/61/896792461.db2.gz ZKACFZURPCEUST-UHFFFAOYSA-N 1 0 393.572 3.569 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3(C#N)CCSCC3)cc2)C1 ZINC001136252945 896880463 /nfs/dbraw/zinc/88/04/63/896880463.db2.gz TWFPQTLHGKXSFJ-ROUUACIJSA-N 1 0 385.577 3.818 20 30 GHEDRO N#Cc1ccc(N2CCC(c3nc(CC45CCC[NH+]4CCC5)no3)CC2)c(F)c1 ZINC000567574369 897263477 /nfs/dbraw/zinc/26/34/77/897263477.db2.gz VQXJDENGMXVRTR-UHFFFAOYSA-N 1 0 395.482 3.635 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@](C)(C#N)C3)cc2Cl)CC1 ZINC000820395019 897302687 /nfs/dbraw/zinc/30/26/87/897302687.db2.gz RXBONWSBVUPYKY-FQEVSTJZSA-N 1 0 389.931 3.639 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H]([C@H]2CCOC2)C1 ZINC000883231868 897390184 /nfs/dbraw/zinc/39/01/84/897390184.db2.gz VECWGUIQSLJMBR-ACRUOGEOSA-N 1 0 399.535 3.504 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccccc1)[n+]1ccc2c(c1)CCCC2 ZINC000131297067 897399062 /nfs/dbraw/zinc/39/90/62/897399062.db2.gz ZXRKDBKIMZIUAL-UHFFFAOYSA-O 1 0 385.578 3.744 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000567795715 897403754 /nfs/dbraw/zinc/40/37/54/897403754.db2.gz KFQKLEFNEGMONC-AZUAARDMSA-N 1 0 383.540 3.518 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000821342348 897844675 /nfs/dbraw/zinc/84/46/75/897844675.db2.gz MZWWWQKWQPCQJI-LEWJYISDSA-N 1 0 393.487 3.847 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000568558411 897933954 /nfs/dbraw/zinc/93/39/54/897933954.db2.gz TVGNOXRMRBXGDQ-UHFFFAOYSA-N 1 0 391.515 3.833 20 30 GHEDRO O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001136467080 897952624 /nfs/dbraw/zinc/95/26/24/897952624.db2.gz OFMDZVYXCCRKCI-BJMVGYQFSA-N 1 0 398.503 3.638 20 30 GHEDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000103451660 898092839 /nfs/dbraw/zinc/09/28/39/898092839.db2.gz GSJMHKZUFVZBAA-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO COCC[NH+]1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000105039687 898182448 /nfs/dbraw/zinc/18/24/48/898182448.db2.gz SNEYKTYWJCHYPU-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000106349058 898266407 /nfs/dbraw/zinc/26/64/07/898266407.db2.gz DQKDBLIEPKUEFS-UHFFFAOYSA-N 1 0 389.565 3.672 20 30 GHEDRO C=CCC(C)(C)C[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000569010835 898274669 /nfs/dbraw/zinc/27/46/69/898274669.db2.gz NNCSVHVXLXJNLK-LJQANCHMSA-N 1 0 377.960 3.770 20 30 GHEDRO C[C@@]1(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000822293479 898289500 /nfs/dbraw/zinc/28/95/00/898289500.db2.gz ZGEXOHNDEKVDDR-GOSISDBHSA-N 1 0 380.319 3.567 20 30 GHEDRO C=CC1(CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCCCC1 ZINC000822816446 898649655 /nfs/dbraw/zinc/64/96/55/898649655.db2.gz VWZFWCIHUNDOKN-UHFFFAOYSA-N 1 0 397.563 3.527 20 30 GHEDRO O=C(OC[C@@H](F)C(F)(F)F)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000800164824 898692784 /nfs/dbraw/zinc/69/27/84/898692784.db2.gz ALXYMBACESKSRR-OCCSQVGLSA-N 1 0 387.295 3.885 20 30 GHEDRO N#CC1(CCCOC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000800174109 898704177 /nfs/dbraw/zinc/70/41/77/898704177.db2.gz MZXMCYGPDSSDPT-LJQANCHMSA-N 1 0 388.483 3.681 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@@H](C)O1 ZINC000569586053 898808245 /nfs/dbraw/zinc/80/82/45/898808245.db2.gz QELIXUDIAKVGIR-RRFJBIMHSA-N 1 0 375.538 3.572 20 30 GHEDRO COc1cccc(Oc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)c1 ZINC000884096839 898860869 /nfs/dbraw/zinc/86/08/69/898860869.db2.gz KDADAWGJLBSOSN-BXFSZVDSSA-N 1 0 377.444 3.565 20 30 GHEDRO COc1ccccc1Oc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1F ZINC000884104333 898884841 /nfs/dbraw/zinc/88/48/41/898884841.db2.gz JSLFQXPNFWVRKE-HEOKHYPTSA-N 1 0 395.434 3.704 20 30 GHEDRO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2)C1 ZINC000884107061 898897778 /nfs/dbraw/zinc/89/77/78/898897778.db2.gz LDMXFQRDQFGXMY-GNOJTMLVSA-N 1 0 381.520 3.860 20 30 GHEDRO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884124170 898979913 /nfs/dbraw/zinc/97/99/13/898979913.db2.gz PKIUWTQDABEYBT-FRIYVGAWSA-N 1 0 393.462 3.791 20 30 GHEDRO C#Cc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043983857 899075704 /nfs/dbraw/zinc/07/57/04/899075704.db2.gz PTIYJLURJDYNQQ-ROUUACIJSA-N 1 0 377.488 3.599 20 30 GHEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884149388 899088067 /nfs/dbraw/zinc/08/80/67/899088067.db2.gz JXMDJJQQDAENCU-LVURXURCSA-N 1 0 389.927 3.691 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000570043215 899088558 /nfs/dbraw/zinc/08/85/58/899088558.db2.gz UNQJQGMLNVMDBU-IBGZPJMESA-N 1 0 395.478 3.624 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Oc3ccccc3F)c(F)c1)C2 ZINC000884155328 899105581 /nfs/dbraw/zinc/10/55/81/899105581.db2.gz ZPFSKVMSCMJLFX-BXFSZVDSSA-N 1 0 397.425 3.513 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C2 ZINC000884162147 899135471 /nfs/dbraw/zinc/13/54/71/899135471.db2.gz XDJHLUZLZZJJSY-UZIXVJODSA-N 1 0 397.881 3.824 20 30 GHEDRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884172374 899182675 /nfs/dbraw/zinc/18/26/75/899182675.db2.gz UBAWUSGKBLGFEM-BGKJIHHVSA-N 1 0 378.303 3.578 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)C2 ZINC000884173562 899187364 /nfs/dbraw/zinc/18/73/64/899187364.db2.gz ZENNFVQXFMKDHO-YZGUTLMUSA-N 1 0 383.398 3.835 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C#N)cc1N(C)C ZINC000331820044 899188934 /nfs/dbraw/zinc/18/89/34/899188934.db2.gz PXZDUOSONHECGE-IBGZPJMESA-N 1 0 397.567 3.909 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)c1 ZINC000823887808 899307027 /nfs/dbraw/zinc/30/70/27/899307027.db2.gz RLBNBUBQZQSVMD-FQEVSTJZSA-N 1 0 376.460 3.852 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)s1 ZINC000824112827 899414404 /nfs/dbraw/zinc/41/44/04/899414404.db2.gz ZISTZTJXIIEKPM-OKILXGFUSA-N 1 0 385.986 3.582 20 30 GHEDRO Cc1ccnc(Oc2cc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)ccc2C)c1 ZINC000884225130 899421424 /nfs/dbraw/zinc/42/14/24/899421424.db2.gz JWKHLVKSTYJPFJ-JQHMZKTJSA-N 1 0 376.460 3.569 20 30 GHEDRO N#Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1OC(F)(F)F ZINC000332393644 899632065 /nfs/dbraw/zinc/63/20/65/899632065.db2.gz KRSAKBURQGHZCR-HNNXBMFYSA-N 1 0 399.438 3.613 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C)nc1Br)C(C)C ZINC000134168276 899709093 /nfs/dbraw/zinc/70/90/93/899709093.db2.gz VSWKUOMYBNSDIV-MRXNPFEDSA-N 1 0 380.330 3.581 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000571055727 899727781 /nfs/dbraw/zinc/72/77/81/899727781.db2.gz WKLLKNVIXNDKOK-ZHALLVOQSA-N 1 0 376.460 3.860 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c1C ZINC001136921035 899760375 /nfs/dbraw/zinc/76/03/75/899760375.db2.gz OAITXXLNQXADRE-UHFFFAOYSA-N 1 0 395.503 3.652 20 30 GHEDRO Cc1cccc(OCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000045336696 900197929 /nfs/dbraw/zinc/19/79/29/900197929.db2.gz JKNPLIPZERWQDT-UHFFFAOYSA-N 1 0 391.515 3.679 20 30 GHEDRO C=C(C)Cn1c(CCCC)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000572654325 900241812 /nfs/dbraw/zinc/24/18/12/900241812.db2.gz BDXNOAOANYDMRT-UHFFFAOYSA-N 1 0 389.588 3.526 20 30 GHEDRO COc1cc(CCC#N)c(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)cc1OC ZINC001171095417 900321183 /nfs/dbraw/zinc/32/11/83/900321183.db2.gz TWQWYPOXMXEJPL-INIZCTEOSA-N 1 0 375.472 3.920 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000573072151 900368119 /nfs/dbraw/zinc/36/81/19/900368119.db2.gz VKGXOUNKCQOSFT-KRWDZBQOSA-N 1 0 398.511 3.598 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)cc1F ZINC000573560559 900562366 /nfs/dbraw/zinc/56/23/66/900562366.db2.gz JOKXBQZYCMKSHG-QGZVFWFLSA-N 1 0 383.442 3.755 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885967074 900657617 /nfs/dbraw/zinc/65/76/17/900657617.db2.gz GYJGTHFVDBQZAK-RBUKOAKNSA-N 1 0 391.556 3.543 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289984294 914465868 /nfs/dbraw/zinc/46/58/68/914465868.db2.gz YJZXBDDIFACEJE-MRXNPFEDSA-N 1 0 393.491 3.940 20 30 GHEDRO C[N@H+](CCOc1cc(F)cc(Br)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844367884 900778701 /nfs/dbraw/zinc/77/87/01/900778701.db2.gz CMDUECSOWAWMFL-SFHVURJKSA-N 1 0 393.256 3.504 20 30 GHEDRO Cc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000290020444 914483608 /nfs/dbraw/zinc/48/36/08/914483608.db2.gz VVIZYZRSJRNRKP-UHFFFAOYSA-N 1 0 388.903 3.533 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC000844462371 900892682 /nfs/dbraw/zinc/89/26/82/900892682.db2.gz OJANXVRUUNFRAH-QHAWAJNXSA-N 1 0 399.535 3.985 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1C#N ZINC000886347009 900946490 /nfs/dbraw/zinc/94/64/90/900946490.db2.gz WDQRWDSNNKCOJU-MRXNPFEDSA-N 1 0 395.450 3.549 20 30 GHEDRO C=CCN1C[C@H](c2ccccc2)[C@@]2(CCN(Cc3ncc(Cl)s3)C2)C1=O ZINC001275519908 914499660 /nfs/dbraw/zinc/49/96/60/914499660.db2.gz HMGMDPSBGYGIQB-UZLBHIALSA-N 1 0 387.936 3.801 20 30 GHEDRO N#Cc1cncc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)c1 ZINC001144079992 901048743 /nfs/dbraw/zinc/04/87/43/901048743.db2.gz RTRMTWRAIUZTNH-JOCHJYFZSA-N 1 0 386.499 3.529 20 30 GHEDRO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)Cc1cncc(C#N)c1 ZINC001144084359 901052528 /nfs/dbraw/zinc/05/25/28/901052528.db2.gz ASRBOYWWWSUWGD-LEWJYISDSA-N 1 0 381.451 3.826 20 30 GHEDRO C[NH+](C)CCOc1ccccc1-c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000574942555 901064250 /nfs/dbraw/zinc/06/42/50/901064250.db2.gz ZJSVLARYJVXWNP-UHFFFAOYSA-N 1 0 392.434 3.768 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)CC1 ZINC000074130199 901232947 /nfs/dbraw/zinc/23/29/47/901232947.db2.gz XHXXUUBREGHRDL-HNNXBMFYSA-N 1 0 375.517 3.518 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1C)C(C)C ZINC001144198202 901239462 /nfs/dbraw/zinc/23/94/62/901239462.db2.gz XVMYXXDSAWPLPA-HXUWFJFHSA-N 1 0 384.499 3.748 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCC(OC4CCCC4)CC3)C2=O)cc1 ZINC000575477386 901242687 /nfs/dbraw/zinc/24/26/87/901242687.db2.gz IQRWXXZPQRMFNW-VTLFHKLASA-N 1 0 381.520 3.519 20 30 GHEDRO C=CCC1(O)CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000886771315 901263277 /nfs/dbraw/zinc/26/32/77/901263277.db2.gz GJUVYMUOSKXCGW-NRFANRHFSA-N 1 0 384.545 3.747 20 30 GHEDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000575894398 901439526 /nfs/dbraw/zinc/43/95/26/901439526.db2.gz GILIBWIPRUQISV-GOSISDBHSA-N 1 0 381.476 3.677 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000887124671 901447287 /nfs/dbraw/zinc/44/72/87/901447287.db2.gz NZONMUMMBZUTIG-GOSISDBHSA-N 1 0 395.330 3.819 20 30 GHEDRO C#CCC1([NH2+]Cc2ncc(-c3cccc(Br)c3)o2)CCOCC1 ZINC000887124774 901447808 /nfs/dbraw/zinc/44/78/08/901447808.db2.gz SOMTUZLPVLAOQB-UHFFFAOYSA-N 1 0 375.266 3.766 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1OC ZINC000092484964 901496953 /nfs/dbraw/zinc/49/69/53/901496953.db2.gz UZQRUHXFLVPIKU-UHFFFAOYSA-N 1 0 386.517 3.716 20 30 GHEDRO CC(=O)Oc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1OC(C)=O ZINC001144287944 901655966 /nfs/dbraw/zinc/65/59/66/901655966.db2.gz XMLDDAOPHSOWOQ-UHFFFAOYSA-N 1 0 392.455 3.788 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC001144351063 901867407 /nfs/dbraw/zinc/86/74/07/901867407.db2.gz SAGGPLAQRYESSQ-LJQANCHMSA-N 1 0 397.441 3.556 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000158690275 901994833 /nfs/dbraw/zinc/99/48/33/901994833.db2.gz ZWBXPXIJCWIBTM-UHFFFAOYSA-N 1 0 398.429 3.885 20 30 GHEDRO COc1ccc(C[NH2+]CCc2nc3cc(F)ccc3n2C)cc1OCCCC#N ZINC000123924669 901998378 /nfs/dbraw/zinc/99/83/78/901998378.db2.gz NZRRHUCFXQHSLY-UHFFFAOYSA-N 1 0 396.466 3.736 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 ZINC001171177843 902088762 /nfs/dbraw/zinc/08/87/62/902088762.db2.gz BCUNZCRSEIFETN-IERDGZPVSA-N 1 0 375.488 3.818 20 30 GHEDRO C[C@@]1(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@@]1(F)Cl ZINC000845405971 902108613 /nfs/dbraw/zinc/10/86/13/902108613.db2.gz UIQUTMVZKPFYTC-UXHICEINSA-N 1 0 392.906 3.527 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001171179028 902122271 /nfs/dbraw/zinc/12/22/71/902122271.db2.gz OIHSFMCEEMGLKK-PXNSSMCTSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001171186804 902195926 /nfs/dbraw/zinc/19/59/26/902195926.db2.gz YWMCHHDOMSXHOY-LZQZEXGQSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@@H](C[N@H+](C)Cc1cnc2c(C#N)cnn2c1)Oc1ccc(Cl)c(Cl)c1 ZINC000576876089 902326945 /nfs/dbraw/zinc/32/69/45/902326945.db2.gz PLGVHSYVYXQEAN-LBPRGKRZSA-N 1 0 390.274 3.807 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)cc1 ZINC001144572222 902403857 /nfs/dbraw/zinc/40/38/57/902403857.db2.gz UUOWCISZXHUNMJ-JOCHJYFZSA-N 1 0 376.500 3.761 20 30 GHEDRO CC(C)(C)Sc1c(Br)cccc1C[NH2+]CCn1cnc(C#N)n1 ZINC000845973492 902555619 /nfs/dbraw/zinc/55/56/19/902555619.db2.gz XBISCJHEEINSEF-UHFFFAOYSA-N 1 0 394.342 3.593 20 30 GHEDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000846006029 902587099 /nfs/dbraw/zinc/58/70/99/902587099.db2.gz GDLGZTRSYUXIIV-IBGZPJMESA-N 1 0 377.410 3.808 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(F)ccc(F)c1OC)CC2 ZINC001144744615 902790553 /nfs/dbraw/zinc/79/05/53/902790553.db2.gz BFJMRCJZOOODBW-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000600723606 902844359 /nfs/dbraw/zinc/84/43/59/902844359.db2.gz XUCWFNICDWLPEQ-QHCPKHFHSA-N 1 0 378.516 3.501 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000600723568 902844719 /nfs/dbraw/zinc/84/47/19/902844719.db2.gz WQBVAHSELFWNSK-INIZCTEOSA-N 1 0 382.335 3.602 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2-c2ccc(Cn3cccn3)cc2)CC1 ZINC000600723975 902846333 /nfs/dbraw/zinc/84/63/33/902846333.db2.gz RAYWMCAMHREDLM-JOCHJYFZSA-N 1 0 386.499 3.743 20 30 GHEDRO CN1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726351 902849217 /nfs/dbraw/zinc/84/92/17/902849217.db2.gz SOIBRNPMPFDTHP-BHIYHBOVSA-N 1 0 395.469 3.733 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2nc(-c3cc4ccccc4o3)cs2)CCOCC1 ZINC000600733160 902856784 /nfs/dbraw/zinc/85/67/84/902856784.db2.gz BXNPHQNINNDWEV-INIZCTEOSA-N 1 0 397.500 3.717 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600735689 902857581 /nfs/dbraw/zinc/85/75/81/902857581.db2.gz PFPNVZWZTMXYJC-RHSMWYFYSA-N 1 0 378.394 3.538 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001171221291 902885129 /nfs/dbraw/zinc/88/51/29/902885129.db2.gz KDWNBDBNBZPJQP-GOSISDBHSA-N 1 0 375.472 3.981 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600855972 903011842 /nfs/dbraw/zinc/01/18/42/903011842.db2.gz IVZXOPRHIHGTII-OAQYLSRUSA-N 1 0 379.504 3.715 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264468832 903114116 /nfs/dbraw/zinc/11/41/16/903114116.db2.gz MUVLTNAJTLKIPT-MSOLQXFVSA-N 1 0 386.565 3.580 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc(OC)c1OC ZINC000772946651 903123456 /nfs/dbraw/zinc/12/34/56/903123456.db2.gz OLMQHLFBNHYZNK-UHFFFAOYSA-N 1 0 381.520 3.582 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccnc2OCC(F)F)c(-c2ccccc2)n1 ZINC000132517926 903269684 /nfs/dbraw/zinc/26/96/84/903269684.db2.gz IZHRYUOJAJYXRP-UHFFFAOYSA-N 1 0 397.429 3.792 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000846921641 903305191 /nfs/dbraw/zinc/30/51/91/903305191.db2.gz CDZRKZMJANNHHC-MOPGFXCFSA-N 1 0 384.524 3.812 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)cc1 ZINC000846971704 903332303 /nfs/dbraw/zinc/33/23/03/903332303.db2.gz DPZIAGKCPLYBLU-UXHICEINSA-N 1 0 376.504 3.823 20 30 GHEDRO COC(=O)c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1CC#N ZINC001171276929 903532040 /nfs/dbraw/zinc/53/20/40/903532040.db2.gz GLZDOMBDTMYIHS-UHFFFAOYSA-N 1 0 388.471 3.510 20 30 GHEDRO CCOC(=O)Cc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC001171276937 903532177 /nfs/dbraw/zinc/53/21/77/903532177.db2.gz GOEWUMBSJNIGOU-UHFFFAOYSA-N 1 0 395.478 3.902 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)CC[NH+](C)C ZINC001146419431 903533603 /nfs/dbraw/zinc/53/36/03/903533603.db2.gz JHNKMVHLVSIDML-KRWDZBQOSA-N 1 0 383.577 3.863 20 30 GHEDRO CCOC(=O)c1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnc1C ZINC001171277796 903558482 /nfs/dbraw/zinc/55/84/82/903558482.db2.gz WDRVQJQUDMGNRN-UHFFFAOYSA-N 1 0 378.476 3.537 20 30 GHEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC001171305963 903796004 /nfs/dbraw/zinc/79/60/04/903796004.db2.gz DZGYZEAQBZHQQF-GMAHTHKFSA-N 1 0 382.479 3.729 20 30 GHEDRO COc1ccc(CN2CC[C@@H]2C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC001147578746 903827077 /nfs/dbraw/zinc/82/70/77/903827077.db2.gz PJSHIYMQLPCQMC-RJGXRXQPSA-N 1 0 389.499 3.568 20 30 GHEDRO C=C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000136972824 903829287 /nfs/dbraw/zinc/82/92/87/903829287.db2.gz VPDRNMQPDJBONS-IBGZPJMESA-N 1 0 378.516 3.619 20 30 GHEDRO O=C(NCC[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1)C1N=CC=CC1=O ZINC000772982155 903836283 /nfs/dbraw/zinc/83/62/83/903836283.db2.gz FUALSFDFUTZJLM-LURZSEBBSA-N 1 0 395.890 3.740 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779070901 903844910 /nfs/dbraw/zinc/84/49/10/903844910.db2.gz KFYJSPQYVCQUGD-SJLPKXTDSA-N 1 0 396.466 3.760 20 30 GHEDRO O=C(NCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1N=CC=CC1=O ZINC000772985039 903976637 /nfs/dbraw/zinc/97/66/37/903976637.db2.gz QAMSHHJIAGPOBW-LURZSEBBSA-N 1 0 395.890 3.740 20 30 GHEDRO CC(C)(CCC#N)c1ccc(C(=O)N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001148912040 904246115 /nfs/dbraw/zinc/24/61/15/904246115.db2.gz DXAIGPDITJCKAU-MXVIHJGJSA-N 1 0 391.519 3.975 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2F)CC1 ZINC000579050980 904316812 /nfs/dbraw/zinc/31/68/12/904316812.db2.gz QANIHIPIMGFRKL-GFCCVEGCSA-N 1 0 384.293 3.599 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000579089370 904341460 /nfs/dbraw/zinc/34/14/60/904341460.db2.gz RFJWYMFBOAEPNH-WIYYLYMNSA-N 1 0 395.551 3.699 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171356227 904347243 /nfs/dbraw/zinc/34/72/43/904347243.db2.gz YDYGTVSZXWZPMM-IBGZPJMESA-N 1 0 395.453 3.588 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001171375994 904402535 /nfs/dbraw/zinc/40/25/35/904402535.db2.gz KBEFGXJNYPOXRV-KRWDZBQOSA-N 1 0 379.504 3.906 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)Nc2cccc(C#N)c2)CC3)cs1 ZINC001202781451 904538356 /nfs/dbraw/zinc/53/83/56/904538356.db2.gz LVKBMMUSALDLCZ-UHFFFAOYSA-N 1 0 395.532 3.986 20 30 GHEDRO [NH2+]=C(NCc1ccccc1Cn1cccn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104158666 904544496 /nfs/dbraw/zinc/54/44/96/904544496.db2.gz JTFNSXPANRDBIS-UHFFFAOYSA-N 1 0 389.381 3.757 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccnc2Oc2cccc(F)c2)cc1OC ZINC000104164950 904546210 /nfs/dbraw/zinc/54/62/10/904546210.db2.gz XSOLUGZTKCFZFI-UHFFFAOYSA-N 1 0 396.422 3.957 20 30 GHEDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000579413369 904578665 /nfs/dbraw/zinc/57/86/65/904578665.db2.gz OAMTWENYFQMOEK-MRXNPFEDSA-N 1 0 396.539 3.892 20 30 GHEDRO C=CCNC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000509521804 904772055 /nfs/dbraw/zinc/77/20/55/904772055.db2.gz HANVUQZNBUCGIC-FQEVSTJZSA-N 1 0 378.520 3.710 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1 ZINC000889832772 904788625 /nfs/dbraw/zinc/78/86/25/904788625.db2.gz PLIHHZMELLDDOJ-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188991272 905017176 /nfs/dbraw/zinc/01/71/76/905017176.db2.gz KSJKQICSTINLNP-UHFFFAOYSA-N 1 0 388.515 3.750 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001171920604 905149770 /nfs/dbraw/zinc/14/97/70/905149770.db2.gz JONYUECHYCBSIB-VQQMMKBISA-N 1 0 385.552 3.963 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990722 905200378 /nfs/dbraw/zinc/20/03/78/905200378.db2.gz NFGAHYRHRUDGFR-RTWAWAEBSA-N 1 0 385.552 3.806 20 30 GHEDRO Cc1ccccc1-c1noc([C@@H](C)O/[NH+]=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000174107182 905203763 /nfs/dbraw/zinc/20/37/63/905203763.db2.gz DSIBXDJBNBIAJT-HAFIMRKLSA-N 1 0 392.459 3.993 20 30 GHEDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H](C)Cc4ccc(C#N)cc4)C3)CC2=O)s1 ZINC001172307800 905465362 /nfs/dbraw/zinc/46/53/62/905465362.db2.gz JMOSNZBUVWAGPN-OPAMFIHVSA-N 1 0 379.529 3.988 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001172313986 905471043 /nfs/dbraw/zinc/47/10/43/905471043.db2.gz HDYBCHWMUFKORG-JPYJTQIMSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001172314773 905471522 /nfs/dbraw/zinc/47/15/22/905471522.db2.gz MFJVGSHDDBYEHG-GOSISDBHSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001172290667 905480706 /nfs/dbraw/zinc/48/07/06/905480706.db2.gz RCWBMKNGKPCPSX-QYRPDUKASA-N 1 0 383.536 3.972 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001172292587 905482795 /nfs/dbraw/zinc/48/27/95/905482795.db2.gz PWQYEJLCGJFNMS-PBHICJAKSA-N 1 0 379.451 3.724 20 30 GHEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2C[C@@H](COCC(=O)N(C)C)C1 ZINC001172359389 905528490 /nfs/dbraw/zinc/52/84/90/905528490.db2.gz WGKDVRFQDKUTRF-PMACEKPBSA-N 1 0 392.588 3.559 20 30 GHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175441482 905566185 /nfs/dbraw/zinc/56/61/85/905566185.db2.gz ZYKMHJSBMSGUQT-UHFFFAOYSA-N 1 0 390.409 3.642 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCOc2cccc(C#N)c2)C(C)(C)C1 ZINC000801584833 921165726 /nfs/dbraw/zinc/16/57/26/921165726.db2.gz HWKJORROVFSIEG-IBGZPJMESA-N 1 0 387.524 3.952 20 30 GHEDRO CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001172501536 905599510 /nfs/dbraw/zinc/59/95/10/905599510.db2.gz IMUPOQBLADOHMV-PMACEKPBSA-N 1 0 392.588 3.704 20 30 GHEDRO CCCCCCCC[C@@H](CC)[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001172505278 905602310 /nfs/dbraw/zinc/60/23/10/905602310.db2.gz LJWKGICSIRIWBM-HSALFYBXSA-N 1 0 387.634 3.576 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN([C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172873197 905944518 /nfs/dbraw/zinc/94/45/18/905944518.db2.gz RLAWMPVWINATSJ-SFHVURJKSA-N 1 0 379.951 3.702 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@@H]3CCC[C@H](OC)C3)c3ccccc32)cc1 ZINC001172930560 905999627 /nfs/dbraw/zinc/99/96/27/905999627.db2.gz RNGYZDAWIPDFQF-MJGOQNOKSA-N 1 0 392.503 3.756 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@H]1C#N ZINC001172968815 906029449 /nfs/dbraw/zinc/02/94/49/906029449.db2.gz OSIGRWLHLWUKMT-GRDNDAEWSA-N 1 0 375.444 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C#N ZINC001172970878 906033233 /nfs/dbraw/zinc/03/32/33/906033233.db2.gz JIKILQQBIRHSDF-GJZGRUSLSA-N 1 0 399.413 3.966 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C[C@H]1C#N ZINC001172983504 906049782 /nfs/dbraw/zinc/04/97/82/906049782.db2.gz JDBGAHVEQXRYJW-ZGXWSNOMSA-N 1 0 385.508 3.788 20 30 GHEDRO C[C@@H]([NH3+])Cc1cn([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c2ccccc12 ZINC001172985876 906051174 /nfs/dbraw/zinc/05/11/74/906051174.db2.gz QZAATUDTBNUBKO-NJAFHUGGSA-N 1 0 382.508 3.995 20 30 GHEDRO C[C@@H]([NH3+])Cc1cn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c2ccccc12 ZINC001172985882 906051504 /nfs/dbraw/zinc/05/15/04/906051504.db2.gz QZAATUDTBNUBKO-NXHRZFHOSA-N 1 0 382.508 3.995 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(OCc3ccccc3)CC2)C[C@H]1C#N ZINC001172986854 906051639 /nfs/dbraw/zinc/05/16/39/906051639.db2.gz ZDNQSIICEBQKCI-PMACEKPBSA-N 1 0 399.535 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(CCC(=O)CC3)CC2)C[C@H]1C#N ZINC001172990495 906053256 /nfs/dbraw/zinc/05/32/56/906053256.db2.gz ONNGNNREJJNBAW-SJORKVTESA-N 1 0 375.513 3.503 20 30 GHEDRO N#Cc1cc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cs1 ZINC001173013444 906090162 /nfs/dbraw/zinc/09/01/62/906090162.db2.gz SSFXWXIAHWINMZ-UHFFFAOYSA-N 1 0 378.404 3.565 20 30 GHEDRO C=CCOCc1nn([C@H](C)Cc2ccc(OC(F)(F)F)cc2)c2c1C[NH2+]C2 ZINC001173078972 906177577 /nfs/dbraw/zinc/17/75/77/906177577.db2.gz HYEPJRKACKWFRD-CYBMUJFWSA-N 1 0 381.398 3.891 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+]([C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173084335 906185597 /nfs/dbraw/zinc/18/55/97/906185597.db2.gz AFJPSYDFRSHOIV-AWEZNQCLSA-N 1 0 384.398 3.685 20 30 GHEDRO CC(C)N(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccc(F)c1 ZINC000299136520 921218345 /nfs/dbraw/zinc/21/83/45/921218345.db2.gz POZUNQXZXCKVGG-GOSISDBHSA-N 1 0 392.434 3.561 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3c(C#N)cnn3-c3ccc(Cl)cc3)c2)CC1 ZINC001212711696 906281113 /nfs/dbraw/zinc/28/11/13/906281113.db2.gz NWVPMBDSJWRNMH-UHFFFAOYSA-N 1 0 392.894 3.893 20 30 GHEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001173215964 906293222 /nfs/dbraw/zinc/29/32/22/906293222.db2.gz BGCXVQRZWZDGKQ-GOSISDBHSA-N 1 0 378.476 3.674 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2CC ZINC001173228484 906313327 /nfs/dbraw/zinc/31/33/27/906313327.db2.gz YDHSFDRIQSTBFB-ZNLUXHQJSA-N 1 0 385.508 3.947 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3cc(F)c(Br)cc3C#N)c2)CC1 ZINC001212717332 906341715 /nfs/dbraw/zinc/34/17/15/906341715.db2.gz ZDHGZBXFPHSBMV-UHFFFAOYSA-N 1 0 389.272 3.955 20 30 GHEDRO CCCCCCCC[C@@H](CCC)[N@@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001173309889 906364559 /nfs/dbraw/zinc/36/45/59/906364559.db2.gz MXYRUTZNTFPIJA-YADHBBJMSA-N 1 0 382.589 3.855 20 30 GHEDRO C=CCOC1CCC(n2ccc3c2ncnc3N(C)[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001173322316 906372748 /nfs/dbraw/zinc/37/27/48/906372748.db2.gz BCQQDYWKMDLOBJ-KMEYYKJISA-N 1 0 383.540 3.552 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC(NCc3cccc(C(=O)OC)c3)CC2)CC1 ZINC001173325839 906374132 /nfs/dbraw/zinc/37/41/32/906374132.db2.gz QYSIESXDENTPOF-UHFFFAOYSA-N 1 0 386.536 3.541 20 30 GHEDRO CN(C)CC[N@H+](C1CCC(CC#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173340632 906381067 /nfs/dbraw/zinc/38/10/67/906381067.db2.gz JCUWIJADCGQXMV-MHJFOBGBSA-N 1 0 392.588 3.722 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001173319933 906389613 /nfs/dbraw/zinc/38/96/13/906389613.db2.gz BFZCEGPTGKIJAB-VXGVFTFCSA-N 1 0 386.536 3.591 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+]C(C)(C)c3ccc(C#N)cc3)CC2)cc1 ZINC001173400310 906428302 /nfs/dbraw/zinc/42/83/02/906428302.db2.gz ZDHGASFIKJXFFL-UHFFFAOYSA-N 1 0 377.488 3.696 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(Cl)c(C#N)c3)CC2)cc1 ZINC001173402786 906431513 /nfs/dbraw/zinc/43/15/13/906431513.db2.gz NBIAGDXBJWNXQT-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433916 906470378 /nfs/dbraw/zinc/47/03/78/906470378.db2.gz AWBYALCSLUDYJE-SFHVURJKSA-N 1 0 391.515 3.734 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3Cc4cc(F)c(F)cc4C3)C2)C1 ZINC001173480526 906478696 /nfs/dbraw/zinc/47/86/96/906478696.db2.gz GAHVSDMLKYYMNJ-NRFANRHFSA-N 1 0 376.447 3.543 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3ccccc3Br)CC2)c1 ZINC000299182703 921239507 /nfs/dbraw/zinc/23/95/07/921239507.db2.gz ZKCSGSQWKLWCPM-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC3(C[C@H]3C(=O)OCC)CC1)CCO2 ZINC001173615314 906543825 /nfs/dbraw/zinc/54/38/25/906543825.db2.gz IHCOPSFRMAAWNM-RAYWNYBWSA-N 1 0 391.552 3.572 20 30 GHEDRO COc1cccc(CN2CC[C@@]3(CC[N@@H+](C4CCC(C)(C#N)CC4)C3)C2=O)c1 ZINC001173594400 906546965 /nfs/dbraw/zinc/54/69/65/906546965.db2.gz BUBRZFMHFMGSMO-HXJXPZHGSA-N 1 0 381.520 3.592 20 30 GHEDRO Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173595367 906548736 /nfs/dbraw/zinc/54/87/36/906548736.db2.gz XHMAKOXGLXEEKV-LDWHKAQRSA-N 1 0 396.535 3.528 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC(Oc3ccccc3C#N)CC1)CC2 ZINC001173623755 906572001 /nfs/dbraw/zinc/57/20/01/906572001.db2.gz RWUDKHBHFTXGRC-WWAKMMQFSA-N 1 0 382.504 3.913 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700445 906650274 /nfs/dbraw/zinc/65/02/74/906650274.db2.gz IHSZTWSKGSSCMV-QFIPXVFZSA-N 1 0 378.516 3.795 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)Cc1ccc(C(=O)OC)cc1)[C@@H]2CC ZINC001173723338 906672275 /nfs/dbraw/zinc/67/22/75/906672275.db2.gz QICGKEHLDXGPGO-JLGINSKQSA-N 1 0 398.547 3.826 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001173727810 906693605 /nfs/dbraw/zinc/69/36/05/906693605.db2.gz GIMRDAMNSVCCQF-HTAPYJJXSA-N 1 0 378.472 3.819 20 30 GHEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N(C)C)cc1OC ZINC000181918092 907100729 /nfs/dbraw/zinc/10/07/29/907100729.db2.gz SXVAQBDPFUTVEY-JXFKEZNVSA-N 1 0 383.492 3.560 20 30 GHEDRO COC(=O)N(C)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181942609 907103251 /nfs/dbraw/zinc/10/32/51/907103251.db2.gz XLRFAGLGYAEZMI-UHFFFAOYSA-N 1 0 392.503 3.833 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cn2)cc1 ZINC001174793090 907209111 /nfs/dbraw/zinc/20/91/11/907209111.db2.gz SAEMEPKLTZOGPG-OAQYLSRUSA-N 1 0 377.492 3.539 20 30 GHEDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(C#N)o2)NC(=O)OC(C)(C)C)cc1 ZINC000773411106 907223811 /nfs/dbraw/zinc/22/38/11/907223811.db2.gz YXCPQVHJEIPWPO-LJQANCHMSA-N 1 0 384.480 3.573 20 30 GHEDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(C#N)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000773410843 907226783 /nfs/dbraw/zinc/22/67/83/907226783.db2.gz XBPRJZNGYZZHIJ-NRFANRHFSA-N 1 0 394.519 3.980 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000631267373 907658873 /nfs/dbraw/zinc/65/88/73/907658873.db2.gz GGGKZYMPICXOHM-MRXNPFEDSA-N 1 0 389.517 3.557 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185723415 907822869 /nfs/dbraw/zinc/82/28/69/907822869.db2.gz CKODEGHSKFAKON-SFTDATJTSA-N 1 0 396.579 3.793 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000186962487 908012655 /nfs/dbraw/zinc/01/26/55/908012655.db2.gz MDXPNZBHMGUDES-KSZLIROESA-O 1 0 398.552 3.858 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(CO)c2)cc1 ZINC000192986323 908041869 /nfs/dbraw/zinc/04/18/69/908041869.db2.gz YKBXZJXBMKPBNL-UHFFFAOYSA-O 1 0 397.564 3.890 20 30 GHEDRO N#Cc1cc(Br)cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001176383294 908060911 /nfs/dbraw/zinc/06/09/11/908060911.db2.gz RPYBIKGXXNTVRJ-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO N#Cc1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c(Br)c1 ZINC001176383814 908062962 /nfs/dbraw/zinc/06/29/62/908062962.db2.gz VNNHZYGCKZZMNB-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO N#Cc1ccc(Br)c(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001176384070 908063061 /nfs/dbraw/zinc/06/30/61/908063061.db2.gz HFDJBMBYRTWAPJ-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000773600004 908301506 /nfs/dbraw/zinc/30/15/06/908301506.db2.gz OBCVUYDYHOTHHK-UHFFFAOYSA-N 1 0 379.331 3.877 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622312 908509989 /nfs/dbraw/zinc/50/99/89/908509989.db2.gz LIMWBCZTZGNTNM-GAJHUEQPSA-N 1 0 399.498 3.504 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)c1 ZINC000801721616 921421262 /nfs/dbraw/zinc/42/12/62/921421262.db2.gz NBPJZAAWQSCASS-LJQANCHMSA-N 1 0 375.476 3.855 20 30 GHEDRO N#CC(CC[NH+]1CCC(N2CCCC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000191481955 908629373 /nfs/dbraw/zinc/62/93/73/908629373.db2.gz QDXBHGYOAPGFOT-UHFFFAOYSA-N 1 0 387.527 3.973 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001177916077 908802068 /nfs/dbraw/zinc/80/20/68/908802068.db2.gz CZWVIIRIYYWOKD-FQEVSTJZSA-N 1 0 381.545 3.501 20 30 GHEDRO N#C[C@@H](Cc1cccs1)C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001177915999 908802447 /nfs/dbraw/zinc/80/24/47/908802447.db2.gz RDCAVLHTRRDEIV-BDRISIAASA-N 1 0 399.519 3.533 20 30 GHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000194297911 908935598 /nfs/dbraw/zinc/93/55/98/908935598.db2.gz SLUAOLXZAHRXME-UHFFFAOYSA-N 1 0 395.507 3.552 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC001178228794 908966046 /nfs/dbraw/zinc/96/60/46/908966046.db2.gz YRLGWHLUNGXGBK-UHFFFAOYSA-N 1 0 384.785 3.934 20 30 GHEDRO C#CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)CCCCC1 ZINC001178337138 909005509 /nfs/dbraw/zinc/00/55/09/909005509.db2.gz BFYUBODMFIHEIO-XZOQPEGZSA-N 1 0 387.527 3.750 20 30 GHEDRO N#CCCCN1C(=O)[C@]2(CC[N@@H+](Cc3scnc3Cl)C2)c2ccccc21 ZINC001276025221 921471410 /nfs/dbraw/zinc/47/14/10/921471410.db2.gz MHLPTZHPJSAEBH-IBGZPJMESA-N 1 0 386.908 3.591 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1 ZINC000266440931 909161729 /nfs/dbraw/zinc/16/17/29/909161729.db2.gz GPFXVZRESFSPOK-IAGOWNOFSA-N 1 0 381.476 3.690 20 30 GHEDRO C#CCN(C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC001178827531 909249080 /nfs/dbraw/zinc/24/90/80/909249080.db2.gz PYMKIGAIKGEMLW-UHFFFAOYSA-N 1 0 388.515 3.593 20 30 GHEDRO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001179498851 909570851 /nfs/dbraw/zinc/57/08/51/909570851.db2.gz IIFBGALMSQWHMA-XUZZJYLKSA-N 1 0 384.483 3.674 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(-c3cnco3)cc2)c(-c2ccncc2)n1 ZINC001179734091 909691168 /nfs/dbraw/zinc/69/11/68/909691168.db2.gz PMPHQKDULMOZBL-UHFFFAOYSA-N 1 0 384.443 3.804 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1 ZINC001179834264 909755299 /nfs/dbraw/zinc/75/52/99/909755299.db2.gz JARTUZMLDDHXLD-GMAHTHKFSA-N 1 0 377.488 3.809 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC001180114928 909968349 /nfs/dbraw/zinc/96/83/49/909968349.db2.gz OURTUISXCSOKTD-UHFFFAOYSA-N 1 0 375.513 3.893 20 30 GHEDRO COc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3C[C@@H](O)c3ccc(C#N)cc3)n2)c1 ZINC000366371530 921542774 /nfs/dbraw/zinc/54/27/74/921542774.db2.gz LPFJWBOYADGYST-FCHUYYIVSA-N 1 0 388.471 3.827 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC[C@H]21 ZINC000268839017 910041915 /nfs/dbraw/zinc/04/19/15/910041915.db2.gz MUUYYIQGQBTLCQ-PKOBYXMFSA-N 1 0 395.532 3.554 20 30 GHEDRO C#CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)c1ccccc1 ZINC000270264501 910499923 /nfs/dbraw/zinc/49/99/23/910499923.db2.gz WMTDCCUDLHTTFD-RXVVDRJESA-N 1 0 394.515 3.795 20 30 GHEDRO N#CCc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000270376237 910539217 /nfs/dbraw/zinc/53/92/17/910539217.db2.gz WVZSNAQCYREOKV-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO N#Cc1cc(CC(=O)N2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)ccc1F ZINC001181183008 910595436 /nfs/dbraw/zinc/59/54/36/910595436.db2.gz UCDJFMKMHCPBPI-QFIPXVFZSA-N 1 0 391.490 3.895 20 30 GHEDRO COc1cccc(CN(C(=O)Cc2ccc(F)c(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001181194457 910604327 /nfs/dbraw/zinc/60/43/27/910604327.db2.gz MNTHUKBLIKFTRF-MXVIHJGJSA-N 1 0 395.478 3.547 20 30 GHEDRO CCC[N@@H+]1CCc2c(N)sc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2C1 ZINC001181200807 910610574 /nfs/dbraw/zinc/61/05/74/910610574.db2.gz NUTQTQGFZLYXOR-UHFFFAOYSA-N 1 0 398.532 3.766 20 30 GHEDRO C[C@]1(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1(Cl)Cl ZINC001182144222 911205348 /nfs/dbraw/zinc/20/53/48/911205348.db2.gz VABFYIFXQCGXLE-JFIYKMOQSA-N 1 0 380.319 3.741 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000366487508 921646672 /nfs/dbraw/zinc/64/66/72/921646672.db2.gz ZQSGEUVRUAWWCE-RBUKOAKNSA-N 1 0 390.911 3.629 20 30 GHEDRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCO2 ZINC000274380211 911320418 /nfs/dbraw/zinc/32/04/18/911320418.db2.gz MOUZISNWIRXGJA-QFIPXVFZSA-N 1 0 377.488 3.645 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1nc2ccccc2[nH]1 ZINC000641433246 911415636 /nfs/dbraw/zinc/41/56/36/911415636.db2.gz LGLUXOLKEUDWGC-UHFFFAOYSA-N 1 0 396.564 3.704 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182341988 911513855 /nfs/dbraw/zinc/51/38/55/911513855.db2.gz TZBJHZICDNZXPR-QGZVFWFLSA-N 1 0 381.451 3.865 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCc1cccc(C#N)c1 ZINC001182344320 911515869 /nfs/dbraw/zinc/51/58/69/911515869.db2.gz ZVZIJVCGEAEUSL-JOCHJYFZSA-N 1 0 375.516 3.908 20 30 GHEDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)NC(=O)OC(C)(C)C)cc1 ZINC000774303928 911620346 /nfs/dbraw/zinc/62/03/46/911620346.db2.gz SOZSIRRXBCEWPM-KPFFTGBYSA-N 1 0 386.540 3.990 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)NC2(C)CC2)cc1 ZINC000283762902 911639364 /nfs/dbraw/zinc/63/93/64/911639364.db2.gz BCRNPPCMKGAUIK-UHFFFAOYSA-O 1 0 397.520 3.736 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000801957003 921682106 /nfs/dbraw/zinc/68/21/06/921682106.db2.gz UDDHPRPZABWWGB-BDTNDASRSA-N 1 0 385.458 3.683 20 30 GHEDRO C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000284372386 911844900 /nfs/dbraw/zinc/84/49/00/911844900.db2.gz FBYQQNQYRNQLGI-KZULUSFZSA-N 1 0 399.292 3.784 20 30 GHEDRO COc1cc(OC)cc(C2(F)CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000801966207 921702717 /nfs/dbraw/zinc/70/27/17/921702717.db2.gz LVTJLDHVIZLPPI-NRFANRHFSA-N 1 0 384.451 3.570 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)c(C)c2)CC1 ZINC000284913126 912076945 /nfs/dbraw/zinc/07/69/45/912076945.db2.gz IBLPZEIADKIDQQ-UHFFFAOYSA-N 1 0 382.895 3.914 20 30 GHEDRO CN(c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1)C1CC[NH+](C)CC1 ZINC000285157603 912189327 /nfs/dbraw/zinc/18/93/27/912189327.db2.gz SFYJMUJTIDRXED-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1 ZINC000093321414 912199584 /nfs/dbraw/zinc/19/95/84/912199584.db2.gz OCNVGEVINUSRTF-UHFFFAOYSA-N 1 0 382.552 3.697 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1 ZINC000291032080 914927444 /nfs/dbraw/zinc/92/74/44/914927444.db2.gz FESWTKJVYMHJOF-GOSISDBHSA-N 1 0 377.488 3.859 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1 ZINC000303776485 915122029 /nfs/dbraw/zinc/12/20/29/915122029.db2.gz HUUNBVMNPLZZTA-UZLBHIALSA-N 1 0 384.524 3.902 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000303829499 915177762 /nfs/dbraw/zinc/17/77/62/915177762.db2.gz GHYYSIIUICASLA-FQEVSTJZSA-N 1 0 382.529 3.963 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000303863309 915223039 /nfs/dbraw/zinc/22/30/39/915223039.db2.gz AFQFHYAUYQZSDK-FQEVSTJZSA-N 1 0 384.524 3.822 20 30 GHEDRO CCOc1ccc(C2(CNC(=[NH2+])Nc3cccc(OC)c3)CCOCC2)cc1 ZINC000303877563 915236906 /nfs/dbraw/zinc/23/69/06/915236906.db2.gz IRCXKRMJRGBEKW-UHFFFAOYSA-N 1 0 383.492 3.569 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)c2ccc3c(c2)OCCO3)cc1Cl ZINC000303968786 915342382 /nfs/dbraw/zinc/34/23/82/915342382.db2.gz AZPHMBSQZJHLBY-UHFFFAOYSA-N 1 0 389.883 3.824 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(Oc3cccc(F)c3)nc2)c1 ZINC000303990482 915350674 /nfs/dbraw/zinc/35/06/74/915350674.db2.gz YSRJVABCRZZPAW-UHFFFAOYSA-N 1 0 396.422 3.957 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000647917921 915438551 /nfs/dbraw/zinc/43/85/51/915438551.db2.gz CJJSSPLSKYVKSD-UHFFFAOYSA-N 1 0 392.503 3.789 20 30 GHEDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)cn2)C[C@H](C)O1 ZINC000304654018 915587169 /nfs/dbraw/zinc/58/71/69/915587169.db2.gz HRDDEPGBTHRWRY-CALCHBBNSA-N 1 0 393.535 3.501 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1C ZINC000292304717 915610493 /nfs/dbraw/zinc/61/04/93/915610493.db2.gz DKZCLWXMFWFFRN-VGSWGCGISA-N 1 0 397.544 3.904 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCC1(C(=O)N(C)C)CCCC1)c1ccc(Cl)cc1Cl ZINC000304742232 915668513 /nfs/dbraw/zinc/66/85/13/915668513.db2.gz COKUFCRLPVZHPD-GFCCVEGCSA-N 1 0 385.339 3.607 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCc2cccc(Br)c2)cc1OC ZINC000304760854 915699328 /nfs/dbraw/zinc/69/93/28/915699328.db2.gz SYTHDDJDUNINDC-UHFFFAOYSA-N 1 0 392.297 3.826 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCc1cncn1Cc1ccccc1F ZINC001188029995 915722134 /nfs/dbraw/zinc/72/21/34/915722134.db2.gz CKUVRGQNKOMGQG-UHFFFAOYSA-N 1 0 381.517 3.850 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCc2csc(-c3ccccc3)n2)cc1OC ZINC000304851753 915745500 /nfs/dbraw/zinc/74/55/00/915745500.db2.gz XWMMVRYCHFJSIG-UHFFFAOYSA-N 1 0 382.489 3.797 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)c(Cl)c3)CC2)C1=O ZINC001275671241 915834717 /nfs/dbraw/zinc/83/47/17/915834717.db2.gz ASTSILPQLVMVDT-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)c2ccc(C3CC[NH+](C)CC3)cc2)cc1C#N ZINC001188316038 915883431 /nfs/dbraw/zinc/88/34/31/915883431.db2.gz NUNLFVCIURVEMQ-UHFFFAOYSA-N 1 0 376.460 3.578 20 30 GHEDRO C[C@@H](O)C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000305078223 915884958 /nfs/dbraw/zinc/88/49/58/915884958.db2.gz WFNAKPYPLJVUMC-HIFRSBDPSA-N 1 0 381.398 3.867 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000366901119 921804464 /nfs/dbraw/zinc/80/44/64/921804464.db2.gz AWTCDBZBELEHJW-QHCPKHFHSA-N 1 0 398.595 3.894 20 30 GHEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccco1 ZINC000305197150 915991049 /nfs/dbraw/zinc/99/10/49/915991049.db2.gz DWHOVTATBOEFSJ-AWEZNQCLSA-N 1 0 384.402 3.988 20 30 GHEDRO [NH2+]=C(NCCCn1cnc2ccccc21)Nc1ccccc1OC(F)(F)F ZINC000305260856 916033350 /nfs/dbraw/zinc/03/33/50/916033350.db2.gz XTTMUUZSSZSODF-UHFFFAOYSA-N 1 0 377.370 3.752 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3Cl)CC2)C1=O ZINC001275690338 916037045 /nfs/dbraw/zinc/03/70/45/916037045.db2.gz HNVRZJRQEWRVHH-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(-c2ccccc2)n1 ZINC000293748080 916360649 /nfs/dbraw/zinc/36/06/49/916360649.db2.gz WNZLDVPTQNAOSI-QFIPXVFZSA-N 1 0 376.504 3.855 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001189094682 916400239 /nfs/dbraw/zinc/40/02/39/916400239.db2.gz GQUNIJCMUMYOSU-OAQYLSRUSA-N 1 0 377.488 3.597 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1C#N ZINC000294106201 916589501 /nfs/dbraw/zinc/58/95/01/916589501.db2.gz CJSMENSWIJNVIQ-UHFFFAOYSA-N 1 0 380.492 3.874 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000775259212 916702301 /nfs/dbraw/zinc/70/23/01/916702301.db2.gz HKYFAHXLFZGLBO-CYBMUJFWSA-N 1 0 387.386 3.967 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650414119 916958373 /nfs/dbraw/zinc/95/83/73/916958373.db2.gz FRLFMNCKLFZKMI-LPHOPBHVSA-N 1 0 375.538 3.587 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000775394999 917387418 /nfs/dbraw/zinc/38/74/18/917387418.db2.gz RREKRHCRIBPSJT-RTBURBONSA-N 1 0 384.863 3.683 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775398053 917406979 /nfs/dbraw/zinc/40/69/79/917406979.db2.gz DVADOLZTYQTGDP-FQEVSTJZSA-N 1 0 384.401 3.527 20 30 GHEDRO N#Cc1cccc(C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)c1F ZINC001190554392 917407036 /nfs/dbraw/zinc/40/70/36/917407036.db2.gz CMAJTMHCENAQPZ-UHFFFAOYSA-N 1 0 390.462 3.616 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000775398911 917438880 /nfs/dbraw/zinc/43/88/80/917438880.db2.gz NSZKBKJXAPXKHK-LJQANCHMSA-N 1 0 390.405 3.598 20 30 GHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1 ZINC000796465428 917556406 /nfs/dbraw/zinc/55/64/06/917556406.db2.gz NJXPGBXAJJVYNW-NRFANRHFSA-N 1 0 393.487 3.575 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000362984734 917585569 /nfs/dbraw/zinc/58/55/69/917585569.db2.gz VGBYWAJPLHGPBD-UHFFFAOYSA-N 1 0 398.551 3.965 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc([C@@H](C)C#N)cc3)cc2)CC1 ZINC001190849125 917599413 /nfs/dbraw/zinc/59/94/13/917599413.db2.gz AWZLQHKINGBAJO-SFHVURJKSA-N 1 0 376.504 3.703 20 30 GHEDRO C[NH+]1CCN(c2ccc(F)cc2NC(=O)c2cccc(C(C)(C)C#N)c2)CC1 ZINC001190938466 917649558 /nfs/dbraw/zinc/64/95/58/917649558.db2.gz PFCVVDMALOURII-UHFFFAOYSA-N 1 0 380.467 3.631 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000295950888 917651727 /nfs/dbraw/zinc/65/17/27/917651727.db2.gz KAQUFWWJDUZOLP-NRFANRHFSA-N 1 0 395.551 3.807 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001191375138 917980057 /nfs/dbraw/zinc/98/00/57/917980057.db2.gz NTJVHSHHCYYZMC-XLIONFOSSA-N 1 0 399.535 3.622 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)C2)C1 ZINC000296514988 918346306 /nfs/dbraw/zinc/34/63/06/918346306.db2.gz HALJQQCVZPZDGZ-OAQYLSRUSA-N 1 0 395.532 3.555 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1cccc(OCC#N)c1)C1CC1 ZINC000775512184 918528430 /nfs/dbraw/zinc/52/84/30/918528430.db2.gz GLGSMRIOMQTOHZ-OAQYLSRUSA-N 1 0 378.476 3.621 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2c[nH]c(-c3ccccc3)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001192222672 918548855 /nfs/dbraw/zinc/54/88/55/918548855.db2.gz YLFMRBLRUBTVAB-MEMLXQNLSA-N 1 0 399.498 3.861 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000796596210 918592596 /nfs/dbraw/zinc/59/25/96/918592596.db2.gz CYCPRMCOUIPIQG-UXHICEINSA-N 1 0 390.405 3.602 20 30 GHEDRO CCC[N@H+](Cc1ccc(F)cc1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114477264 919391464 /nfs/dbraw/zinc/39/14/64/919391464.db2.gz BIDXKRLEQYXQQJ-UHFFFAOYSA-N 1 0 381.499 3.985 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C#N)nc1 ZINC000115344948 919448417 /nfs/dbraw/zinc/44/84/17/919448417.db2.gz FUZINCCVARWXRN-UHFFFAOYSA-N 1 0 391.302 3.854 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C#N)nc1)c1ccc(C(F)(F)F)cc1 ZINC000115346071 919448549 /nfs/dbraw/zinc/44/85/49/919448549.db2.gz AAKKNFDKJXRWKP-SFHVURJKSA-N 1 0 390.409 3.785 20 30 GHEDRO COc1cc(C[NH+]2CCC([C@@H](C)O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000116879378 919523013 /nfs/dbraw/zinc/52/30/13/919523013.db2.gz AVNHJLROLBWMOG-QGZVFWFLSA-N 1 0 380.488 3.739 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000283721596 919628453 /nfs/dbraw/zinc/62/84/53/919628453.db2.gz XQFLFFQUVNNBNL-MRXNPFEDSA-N 1 0 388.947 3.738 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1c(F)cccc1Br ZINC001275946736 920039975 /nfs/dbraw/zinc/03/99/75/920039975.db2.gz WKJXQUPMZZYTDS-SFHVURJKSA-N 1 0 381.289 3.731 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c(O)c1 ZINC000800790083 920465838 /nfs/dbraw/zinc/46/58/38/920465838.db2.gz BPWNTESNGYQQIP-IQJJTXKVSA-N 1 0 380.492 3.964 20 30 GHEDRO COc1cc(Br)cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1O ZINC000800895998 920576697 /nfs/dbraw/zinc/57/66/97/920576697.db2.gz SOHZHFRUCORKLG-UHFFFAOYSA-N 1 0 381.657 3.978 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)c2ccccc2C#N)[C@H]1c1cccs1 ZINC000900826158 920639379 /nfs/dbraw/zinc/63/93/79/920639379.db2.gz LUGOZFRRSYDMDS-YJBOKZPZSA-N 1 0 389.471 3.911 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(C#N)c(F)c1 ZINC001275991193 920938454 /nfs/dbraw/zinc/93/84/54/920938454.db2.gz HNYGZKVJEFSHAJ-KRWDZBQOSA-N 1 0 395.478 3.881 20 30 GHEDRO CC(C)(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000367669057 922259619 /nfs/dbraw/zinc/25/96/19/922259619.db2.gz COZUOZCXWAYUTH-SFHVURJKSA-N 1 0 379.479 3.613 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3cc(C#N)ccn3)CC2)c1 ZINC000902736948 922449288 /nfs/dbraw/zinc/44/92/88/922449288.db2.gz YRFSXUWTHAVFSO-FQEVSTJZSA-N 1 0 377.536 3.515 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902786886 922498319 /nfs/dbraw/zinc/49/83/19/922498319.db2.gz ULXMBDZGJTXVJN-IAGOWNOFSA-N 1 0 377.492 3.621 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(C#N)ccn1 ZINC000902837540 922543714 /nfs/dbraw/zinc/54/37/14/922543714.db2.gz ZBJPOCUKWMKVAL-RISCZKNCSA-N 1 0 395.816 3.950 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cc(C#N)ccn1 ZINC000903010604 922707346 /nfs/dbraw/zinc/70/73/46/922707346.db2.gz NZOJCVTYRWFXJZ-CJNGLKHVSA-N 1 0 379.414 3.761 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)CC1 ZINC000368914991 922968972 /nfs/dbraw/zinc/96/89/72/922968972.db2.gz LUEUYMVBUIUTBL-LJQANCHMSA-N 1 0 378.520 3.749 20 30 GHEDRO C=C[C@H](CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000371173428 924460464 /nfs/dbraw/zinc/46/04/64/924460464.db2.gz OISVISUWFVODEH-HXUWFJFHSA-N 1 0 377.532 3.907 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](CC)C[C@@H]2CCOC2)cc1OC ZINC000678151643 924636616 /nfs/dbraw/zinc/63/66/16/924636616.db2.gz QTTYYYWFCLGPPV-AWEZNQCLSA-N 1 0 384.314 3.881 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000371564165 924675754 /nfs/dbraw/zinc/67/57/54/924675754.db2.gz ZJTOCPJVAPCJRG-QFIPXVFZSA-N 1 0 394.563 3.651 20 30 GHEDRO CN1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000409729234 924933224 /nfs/dbraw/zinc/93/32/24/924933224.db2.gz CKXJXHVQNHUNEA-YOEHRIQHSA-N 1 0 382.336 3.529 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000409788564 925013740 /nfs/dbraw/zinc/01/37/40/925013740.db2.gz FBLOGZJQJLFKOF-RCOXNQKVSA-N 1 0 391.515 3.969 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c(OC)c1 ZINC000679546621 925176045 /nfs/dbraw/zinc/17/60/45/925176045.db2.gz RGVCMHCUHXGVRW-DJIMGWMZSA-N 1 0 387.442 3.826 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3Cl)CC2)C1=O ZINC001276074002 925217377 /nfs/dbraw/zinc/21/73/77/925217377.db2.gz IOAHNAXNFLJIOQ-FQEVSTJZSA-N 1 0 375.900 3.554 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1ccc(C#N)cc1 ZINC000410048187 925286843 /nfs/dbraw/zinc/28/68/43/925286843.db2.gz KHLQNWFYDYIEEY-QFIPXVFZSA-N 1 0 391.515 3.526 20 30 GHEDRO C=CCN1CC[C@H]([N@H+](C)CCCCCc2cc(-c3cccc(F)c3)no2)C1=O ZINC000410339262 925552263 /nfs/dbraw/zinc/55/22/63/925552263.db2.gz JJLISDKMXCWWMC-NRFANRHFSA-N 1 0 385.483 3.912 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000373232977 925955870 /nfs/dbraw/zinc/95/58/70/925955870.db2.gz XDCFEQSGQROZCR-MRXNPFEDSA-N 1 0 393.487 3.531 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@H](CO)c3ccccc3)sc2C1 ZINC000411229214 926233780 /nfs/dbraw/zinc/23/37/80/926233780.db2.gz UDIBQEFQQPOVGG-DNVCBOLYSA-N 1 0 397.544 3.739 20 30 GHEDRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000682952092 926307206 /nfs/dbraw/zinc/30/72/06/926307206.db2.gz YTQWSDYUIVBBPW-NXEZZACHSA-N 1 0 385.226 3.571 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3c(F)ccc(OC)c3Cl)CC2)C1=O ZINC001276384862 926405014 /nfs/dbraw/zinc/40/50/14/926405014.db2.gz GVDSRWFLSCZVFB-UHFFFAOYSA-N 1 0 380.891 3.878 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CCCO1 ZINC000411516665 926475756 /nfs/dbraw/zinc/47/57/56/926475756.db2.gz KITWTRXRHJIWGZ-COXVUDFISA-N 1 0 375.538 3.620 20 30 GHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411552832 926508765 /nfs/dbraw/zinc/50/87/65/926508765.db2.gz BVZKAIHZIJBDOK-XOKHGSTOSA-N 1 0 375.538 3.620 20 30 GHEDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)C ZINC000411716638 926674810 /nfs/dbraw/zinc/67/48/10/926674810.db2.gz FULZEUOYHLRLQP-WMLDXEAASA-N 1 0 377.554 3.724 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000726483510 926699248 /nfs/dbraw/zinc/69/92/48/926699248.db2.gz RLUVWBIFWQBEDY-UHFFFAOYSA-N 1 0 397.935 3.844 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3cc4oc5ccccc5c4cc3O)CC2)nc1 ZINC000726960828 926957790 /nfs/dbraw/zinc/95/77/90/926957790.db2.gz GOIFBTHRRWVWEF-UHFFFAOYSA-N 1 0 384.439 3.880 20 30 GHEDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC1 ZINC000412017182 927002792 /nfs/dbraw/zinc/00/27/92/927002792.db2.gz CLSNCDUINWVTGN-AWEZNQCLSA-N 1 0 375.538 3.764 20 30 GHEDRO COC1([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCC1 ZINC000412025644 927012986 /nfs/dbraw/zinc/01/29/86/927012986.db2.gz QJCXBKINJWATTQ-KRWDZBQOSA-N 1 0 386.540 3.968 20 30 GHEDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCC1 ZINC000412020752 927016920 /nfs/dbraw/zinc/01/69/20/927016920.db2.gz JVKBCMKMPZOUMS-GOSISDBHSA-N 1 0 394.519 3.511 20 30 GHEDRO CN(CC(F)F)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000749364012 927072684 /nfs/dbraw/zinc/07/26/84/927072684.db2.gz NJTYFIWLMIXTMB-UHFFFAOYSA-N 1 0 376.369 3.598 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000749584269 927202260 /nfs/dbraw/zinc/20/22/60/927202260.db2.gz QMUWFMKOGVLKSP-WMZHIEFXSA-N 1 0 393.506 3.881 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000374900999 927675360 /nfs/dbraw/zinc/67/53/60/927675360.db2.gz VVTOYJFQKFRAJN-RBUKOAKNSA-N 1 0 395.453 3.743 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000375038601 927835108 /nfs/dbraw/zinc/83/51/08/927835108.db2.gz LOEMEYFXVNQJSK-JOCHJYFZSA-N 1 0 384.451 3.610 20 30 GHEDRO C=CCC[C@@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000412783518 927839800 /nfs/dbraw/zinc/83/98/00/927839800.db2.gz ZJXGIAOTOBHGIT-HSZRJFAPSA-N 1 0 392.543 3.880 20 30 GHEDRO Cc1cc(F)ccc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000750919737 927933021 /nfs/dbraw/zinc/93/30/21/927933021.db2.gz RHAQRGNLYOPSCM-UHFFFAOYSA-N 1 0 384.524 3.597 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2coc(-c3c(F)cccc3F)n2)cc1 ZINC000752785963 929022646 /nfs/dbraw/zinc/02/26/46/929022646.db2.gz FYRWANBOOAKGIQ-UHFFFAOYSA-N 1 0 386.402 3.519 20 30 GHEDRO C#CC[C@@H](NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000757769239 929793885 /nfs/dbraw/zinc/79/38/85/929793885.db2.gz WBIDNEZTRLLCAC-DHIUTWEWSA-N 1 0 390.531 3.842 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000757797695 929804207 /nfs/dbraw/zinc/80/42/07/929804207.db2.gz ZOHDRHOBSHUXEP-FOIQADDNSA-N 1 0 376.460 3.955 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)[C@]12CCCO2 ZINC000546056714 929811734 /nfs/dbraw/zinc/81/17/34/929811734.db2.gz QPVHQYBGYMAINM-RBZQAINGSA-N 1 0 392.499 3.953 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000469371129 929828223 /nfs/dbraw/zinc/82/82/23/929828223.db2.gz JSFDMZKETDBENH-HMFYCAOWSA-N 1 0 377.488 3.819 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccccc3OCC#N)CCC[N@@H+]2C)cc1 ZINC000757901636 929848353 /nfs/dbraw/zinc/84/83/53/929848353.db2.gz KPXRVABQWCBQMO-XMSQKQJNSA-N 1 0 394.471 3.837 20 30 GHEDRO O=C(/C=C/c1cnc2ccc(Cl)cn12)c1cc2c(s1)SCC(=O)N2 ZINC000758062046 929905758 /nfs/dbraw/zinc/90/57/58/929905758.db2.gz GFZVPASEPFHKBH-NSCUHMNNSA-N 1 0 375.862 3.990 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000546269020 930006884 /nfs/dbraw/zinc/00/68/84/930006884.db2.gz NVQNKHFRGOFJFS-UHFFFAOYSA-N 1 0 382.426 3.971 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000469585886 930007360 /nfs/dbraw/zinc/00/73/60/930007360.db2.gz XJCDXLXSTZUKRY-GOSISDBHSA-N 1 0 394.519 3.937 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2cccc3c(Br)cccc23)CC1 ZINC000758464809 930054303 /nfs/dbraw/zinc/05/43/03/930054303.db2.gz ZRQSKKVDSZXXJT-UHFFFAOYSA-N 1 0 386.289 3.991 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 ZINC000759054817 930258862 /nfs/dbraw/zinc/25/88/62/930258862.db2.gz PANMBYKIBMMZJA-UHFFFAOYSA-O 1 0 389.544 3.776 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000469988452 930297730 /nfs/dbraw/zinc/29/77/30/930297730.db2.gz BKHUZBOCKHFXQB-CZUORRHYSA-N 1 0 383.330 3.582 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(CC)CC ZINC000759439926 930368753 /nfs/dbraw/zinc/36/87/53/930368753.db2.gz CZJLDURJGXZTMZ-NSISKUIASA-N 1 0 392.503 3.797 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000470211777 930456585 /nfs/dbraw/zinc/45/65/85/930456585.db2.gz LXQOGELFIGAJBL-LJQANCHMSA-N 1 0 393.487 3.534 20 30 GHEDRO Cc1cccn2cc(COc3ccc(C[NH2+]Cc4ccc(C#N)cn4)cc3)nc12 ZINC000780556762 930547593 /nfs/dbraw/zinc/54/75/93/930547593.db2.gz QOMOYVLKOAQSAO-UHFFFAOYSA-N 1 0 383.455 3.778 20 30 GHEDRO C=CCNC(=O)c1cccc(-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)c1 ZINC000547069383 930666528 /nfs/dbraw/zinc/66/65/28/930666528.db2.gz OFHYHBJPEABXAU-UHFFFAOYSA-N 1 0 388.471 3.915 20 30 GHEDRO S=C(NN=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Nc1ccccn1 ZINC000781128739 930709395 /nfs/dbraw/zinc/70/93/95/930709395.db2.gz UGSCJHXCLUYGDD-ROUUACIJSA-N 1 0 379.533 3.656 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000781375913 930821617 /nfs/dbraw/zinc/82/16/17/930821617.db2.gz NGYCWJJKUHPEIV-HFSMHLIXSA-N 1 0 398.551 3.820 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000547418729 930999688 /nfs/dbraw/zinc/99/96/88/930999688.db2.gz ISERCFTYACNPFN-AUSIDOKSSA-N 1 0 375.472 3.808 20 30 GHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000471005274 931089961 /nfs/dbraw/zinc/08/99/61/931089961.db2.gz GCFWJQWLBWABHX-YADHBBJMSA-N 1 0 383.923 3.516 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(CCC(=O)N(CC)CC)CC2)c1O ZINC000782282559 931155493 /nfs/dbraw/zinc/15/54/93/931155493.db2.gz RMUSEHRLAMSELE-UHFFFAOYSA-N 1 0 388.552 3.990 20 30 GHEDRO C=CC[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ccncc1 ZINC000783245489 931473874 /nfs/dbraw/zinc/47/38/74/931473874.db2.gz NNGONTPDMLGWBG-WIXQSORDSA-N 1 0 375.472 3.896 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cccc(C(F)(F)F)c1)[n+]1ccccc1CC ZINC000783694201 931620265 /nfs/dbraw/zinc/62/02/65/931620265.db2.gz GJOOLRAWJKOYDN-UHFFFAOYSA-O 1 0 391.438 3.989 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000925561408 931823460 /nfs/dbraw/zinc/82/34/60/931823460.db2.gz BMBGJNKVNBMSNI-MSOLQXFVSA-N 1 0 391.556 3.997 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925904723 931951199 /nfs/dbraw/zinc/95/11/99/931951199.db2.gz RHOMWNSHSYELEM-QFIPXVFZSA-N 1 0 393.535 3.814 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000558476877 932024499 /nfs/dbraw/zinc/02/44/99/932024499.db2.gz YRDKLZNZMPSQKN-VXKWHMMOSA-N 1 0 399.498 3.562 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@H]1CCCCO1 ZINC000926121956 932055902 /nfs/dbraw/zinc/05/59/02/932055902.db2.gz KOLFYUPHOHVWLF-ZWKOTPCHSA-N 1 0 379.545 3.855 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)cc1 ZINC000558606523 932103405 /nfs/dbraw/zinc/10/34/05/932103405.db2.gz POKNKUKVDQCXAJ-ICSRJNTNSA-N 1 0 383.536 3.681 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000796973357 932130972 /nfs/dbraw/zinc/13/09/72/932130972.db2.gz POJIMAHZQLGGGP-PXNSSMCTSA-N 1 0 398.551 3.905 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000797007908 932142877 /nfs/dbraw/zinc/14/28/77/932142877.db2.gz QYQPLYDBNLDMOS-PKOBYXMFSA-N 1 0 390.524 3.756 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000926412476 932168329 /nfs/dbraw/zinc/16/83/29/932168329.db2.gz VJCXDLGBMYGSTR-KURKYZTESA-N 1 0 379.545 3.568 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCSc3ccccc32)c(OC)c1 ZINC000558750936 932211441 /nfs/dbraw/zinc/21/14/41/932211441.db2.gz WVEHOIFIHZABDL-HKUYNNGSSA-N 1 0 385.529 3.990 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000558752756 932211862 /nfs/dbraw/zinc/21/18/62/932211862.db2.gz JYPIPJXDBITGDH-OAQYLSRUSA-N 1 0 382.479 3.733 20 30 GHEDRO Cc1ccncc1CC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926689671 932273425 /nfs/dbraw/zinc/27/34/25/932273425.db2.gz NELFNABZVVMNGK-SFHVURJKSA-N 1 0 386.540 3.842 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000558880645 932288496 /nfs/dbraw/zinc/28/84/96/932288496.db2.gz XBKKOPSAGVCGQN-ICSRJNTNSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000926831579 932321530 /nfs/dbraw/zinc/32/15/30/932321530.db2.gz DSKYQEISPJURCA-DLBZAZTESA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@]1(CNC(=O)Nc2cccc(OCC#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000798484922 932667386 /nfs/dbraw/zinc/66/73/86/932667386.db2.gz XIQJFLAJILCICL-JOCHJYFZSA-N 1 0 378.476 3.623 20 30 GHEDRO C[C@]1(CNC(=O)CSCc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798523586 932687169 /nfs/dbraw/zinc/68/71/69/932687169.db2.gz MUTLITHWVWBRLG-HSZRJFAPSA-N 1 0 393.556 3.820 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)ccc1C#N ZINC000799333979 932954863 /nfs/dbraw/zinc/95/48/63/932954863.db2.gz NCRLUQQLYIDVDP-IYBDPMFKSA-N 1 0 383.467 3.609 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)ccc1C#N ZINC000799735257 933104295 /nfs/dbraw/zinc/10/42/95/933104295.db2.gz XRFHHPVHWHUCMU-FHWLQOOXSA-N 1 0 385.508 3.692 20 30 GHEDRO Cc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC001116347740 933500024 /nfs/dbraw/zinc/50/00/24/933500024.db2.gz XRVXNTHYJPTWQR-OAQYLSRUSA-N 1 0 391.519 3.913 20 30 GHEDRO C=CC[C@@H]1NC(=O)N(CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1=O ZINC001116788464 933756902 /nfs/dbraw/zinc/75/69/02/933756902.db2.gz JHPWSEDNSFPIOW-NRFANRHFSA-N 1 0 377.488 3.575 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000930088490 933825875 /nfs/dbraw/zinc/82/58/75/933825875.db2.gz XSXRRVSHZBNDSE-QFBILLFUSA-N 1 0 392.459 3.527 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)c1ccc(Cl)cc1 ZINC001117671107 933976133 /nfs/dbraw/zinc/97/61/33/933976133.db2.gz XJDDOGOUNBLHOF-FQEVSTJZSA-N 1 0 396.922 3.896 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](CCCOC)c2ccc(Cl)cc2)CC1 ZINC000561568186 934277243 /nfs/dbraw/zinc/27/72/43/934277243.db2.gz URHQUAVGMCOSHO-SFHVURJKSA-N 1 0 393.959 3.800 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000931171457 934414176 /nfs/dbraw/zinc/41/41/76/934414176.db2.gz BLVOACOKCYDEPM-UHFFFAOYSA-N 1 0 381.501 3.676 20 30 GHEDRO N#Cc1cnc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC001120001529 934434307 /nfs/dbraw/zinc/43/43/07/934434307.db2.gz HHEVUJVDCUWPSJ-CEXWTWQISA-N 1 0 394.906 3.637 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccnc3ccccc23)c(OC)c1 ZINC001120469508 934467297 /nfs/dbraw/zinc/46/72/97/934467297.db2.gz ZFMOIQIJRJKNNT-LJQANCHMSA-N 1 0 378.472 3.501 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000561901647 934547718 /nfs/dbraw/zinc/54/77/18/934547718.db2.gz AEIDCUJKAGVTCW-HNNXBMFYSA-N 1 0 389.421 3.756 20 30 GHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000562039945 934652429 /nfs/dbraw/zinc/65/24/29/934652429.db2.gz SIEUQXZSNPXAAC-QGZVFWFLSA-N 1 0 377.554 3.842 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121504319 934676920 /nfs/dbraw/zinc/67/69/20/934676920.db2.gz DADWVPOFACBRFY-FQEVSTJZSA-N 1 0 392.551 3.515 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)CCC#N)n2CCc2ccccc2)CC1 ZINC001122134304 934828766 /nfs/dbraw/zinc/82/87/66/934828766.db2.gz NXXRIXJFHACDRU-LJQANCHMSA-N 1 0 394.567 3.895 20 30 GHEDRO N#CC1(CCC[NH2+][C@H]2CCOc3ccc(Br)cc32)CCOCC1 ZINC000932206352 934849762 /nfs/dbraw/zinc/84/97/62/934849762.db2.gz KMCGUXYATHYPKF-INIZCTEOSA-N 1 0 379.298 3.963 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N1CCS[C@H](C)C1 ZINC001122447914 934872509 /nfs/dbraw/zinc/87/25/09/934872509.db2.gz IYHOGBLKAIAWAX-YZGWKJHDSA-N 1 0 397.592 3.609 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(C#N)cc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001122471351 934877597 /nfs/dbraw/zinc/87/75/97/934877597.db2.gz CCMSXVAFJQXDTR-UHFFFAOYSA-N 1 0 392.551 3.627 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122504850 934884971 /nfs/dbraw/zinc/88/49/71/934884971.db2.gz UTLICXRQQIHVID-SFHVURJKSA-N 1 0 391.629 3.993 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)[C@H](O)c2ccccc2)nnc1N1CCC[N@H+](CC)CC1 ZINC001122594149 934912349 /nfs/dbraw/zinc/91/23/49/934912349.db2.gz DGHSBGZFEIKAIO-LEWJYISDSA-N 1 0 397.567 3.613 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(CCCC#N)n2Cc2cccs2)CC1 ZINC001122922729 935031121 /nfs/dbraw/zinc/03/11/21/935031121.db2.gz AJJUWZCNKRPIBD-UHFFFAOYSA-N 1 0 386.569 3.545 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CC1CC1 ZINC001123502928 935212493 /nfs/dbraw/zinc/21/24/93/935212493.db2.gz CJCWQDAYCZRKDC-KRWDZBQOSA-N 1 0 398.580 3.522 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CC1CC1 ZINC001123695105 935254647 /nfs/dbraw/zinc/25/46/47/935254647.db2.gz AVPSQTBBEVTGBL-LJQANCHMSA-N 1 0 384.572 3.582 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3c(C)cc(C#N)cc3C)c(C)c2)CC1 ZINC001124178635 935352937 /nfs/dbraw/zinc/35/29/37/935352937.db2.gz HWHCRKFGPYCQEA-UHFFFAOYSA-N 1 0 390.531 3.807 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1F ZINC001137673562 935696260 /nfs/dbraw/zinc/69/62/60/935696260.db2.gz IQYJOPYJSQNKEW-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)c(C#N)c1 ZINC001137700928 935731990 /nfs/dbraw/zinc/73/19/90/935731990.db2.gz FJUGNJXDTUONFV-NRFANRHFSA-N 1 0 384.520 3.612 20 30 GHEDRO COc1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C#N)c1 ZINC001137703318 935733646 /nfs/dbraw/zinc/73/36/46/935733646.db2.gz JFWMBLJMDVGVKS-WDJPJFJCSA-N 1 0 390.531 3.694 20 30 GHEDRO C#CCn1ccc(CN(CC)CCCC(=O)c2ccc(Br)cc2)n1 ZINC000829321368 935795198 /nfs/dbraw/zinc/79/51/98/935795198.db2.gz AQYJYTWGQUCUCV-UHFFFAOYSA-N 1 0 388.309 3.764 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)cc1 ZINC001137899776 935854427 /nfs/dbraw/zinc/85/44/27/935854427.db2.gz GHAMSMLORCLYRO-UHFFFAOYSA-N 1 0 375.472 3.650 20 30 GHEDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137903953 935857508 /nfs/dbraw/zinc/85/75/08/935857508.db2.gz CSURIERRMPFRMP-HXUWFJFHSA-N 1 0 391.519 3.562 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830183947 935910445 /nfs/dbraw/zinc/91/04/45/935910445.db2.gz ZZFCZLWQFUWJHP-RCCFBDPRSA-N 1 0 379.545 3.805 20 30 GHEDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000830402070 935940704 /nfs/dbraw/zinc/94/07/04/935940704.db2.gz UMJKGBRQSMYMLQ-YADHBBJMSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(C(=O)OC(C)C)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573340931 947524571 /nfs/dbraw/zinc/52/45/71/947524571.db2.gz DGHXHSKWPCKMLI-UHFFFAOYSA-N 1 0 391.475 3.620 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC001625928203 1014426143 /nfs/dbraw/zinc/42/61/43/1014426143.db2.gz XMVUWCCJWUTSGR-OAQYLSRUSA-N 1 0 396.531 3.920 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(Cl)c1Cl ZINC000468230778 1015459877 /nfs/dbraw/zinc/45/98/77/1015459877.db2.gz NWULGAKJGVRBFD-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1cc(F)cc(Br)c1 ZINC000469078936 1016430820 /nfs/dbraw/zinc/43/08/20/1016430820.db2.gz SQZFBOGRAOCRGL-ABAIWWIYSA-N 1 0 382.277 3.580 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001227178541 1032310289 /nfs/dbraw/zinc/31/02/89/1032310289.db2.gz YYDUKMKCEFFXDR-ZAAXVRCTSA-N 1 0 386.879 3.748 20 30 GHEDRO N#Cc1cc(Br)c(Cl)cc1Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001212996490 1032423743 /nfs/dbraw/zinc/42/37/43/1032423743.db2.gz DVKDMALNVLSXCC-UHFFFAOYSA-N 1 0 393.672 3.949 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001155267384 1032477734 /nfs/dbraw/zinc/47/77/34/1032477734.db2.gz BKPKFVRRHQEMFB-UHFFFAOYSA-N 1 0 383.229 3.745 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(C)cc(Cl)cc1C)C2 ZINC001277235199 1032532072 /nfs/dbraw/zinc/53/20/72/1032532072.db2.gz MOAKWJCYZMWZKB-NRFANRHFSA-N 1 0 376.928 3.584 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cnc2Cl)c1 ZINC001155590270 1032589485 /nfs/dbraw/zinc/58/94/85/1032589485.db2.gz CODOTSBDGCEMMS-JLSDUUJJSA-N 1 0 388.849 3.911 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C ZINC001227839282 1032640189 /nfs/dbraw/zinc/64/01/89/1032640189.db2.gz YJDROEVZJHUMMA-IAGOWNOFSA-N 1 0 381.442 3.627 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCOc1ccccc1Br ZINC000558173091 1017133066 /nfs/dbraw/zinc/13/30/66/1017133066.db2.gz PPIJYCRUFOCJBJ-UHFFFAOYSA-N 1 0 389.293 3.848 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000558450923 1017205676 /nfs/dbraw/zinc/20/56/76/1017205676.db2.gz YIMBYANNVREYRR-BBWFWOEESA-N 1 0 387.503 3.662 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(Cl)cc1 ZINC000558972608 1017326211 /nfs/dbraw/zinc/32/62/11/1017326211.db2.gz CNUGDBMOZFCQGL-IBGZPJMESA-N 1 0 394.862 3.899 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000559011652 1017337036 /nfs/dbraw/zinc/33/70/36/1017337036.db2.gz TZIHMBOOFXMTIK-NQIIRXRSSA-N 1 0 395.551 3.686 20 30 GHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 ZINC000927008233 1017339269 /nfs/dbraw/zinc/33/92/69/1017339269.db2.gz MEMLVERDFYEWKJ-YESZJQIVSA-N 1 0 380.529 3.510 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000560497729 1017645105 /nfs/dbraw/zinc/64/51/05/1017645105.db2.gz CPTFNSJHZFJGNS-SVFBPWRDSA-N 1 0 395.890 3.655 20 30 GHEDRO N#Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000561192209 1017805097 /nfs/dbraw/zinc/80/50/97/1017805097.db2.gz MRDITIXWXBNNLU-YQQQUEKLSA-N 1 0 377.448 3.656 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)CCC(C)(C)C#N)[NH2+][C@H](C)c1ccccc1 ZINC000562004841 1018003440 /nfs/dbraw/zinc/00/34/40/1018003440.db2.gz FSKTYKXZODRLIR-QGZVFWFLSA-N 1 0 379.570 3.755 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@H](C#N)C2)CC1 ZINC000931697145 1018031707 /nfs/dbraw/zinc/03/17/07/1018031707.db2.gz IDHPEGNUUMCDOR-CQSZACIVSA-N 1 0 376.888 3.580 20 30 GHEDRO N#Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000562091100 1018037825 /nfs/dbraw/zinc/03/78/25/1018037825.db2.gz GWTRHLUKAFCCQV-MOPGFXCFSA-N 1 0 378.451 3.683 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c2ncnc(Cl)c12 ZINC001155889215 1032767687 /nfs/dbraw/zinc/76/76/87/1032767687.db2.gz NMPJHZAXGIILBQ-HNNXBMFYSA-N 1 0 387.915 3.580 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CC#N)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000932914094 1018749710 /nfs/dbraw/zinc/74/97/10/1018749710.db2.gz FEDZVQADDJVELL-HYVNUMGLSA-N 1 0 382.430 3.525 20 30 GHEDRO FC1(F)[C@H]2C[NH+](CCc3cscn3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944841 1018775368 /nfs/dbraw/zinc/77/53/68/1018775368.db2.gz NEWAHNJERRPHNF-IUCAKERBSA-N 1 0 380.304 3.788 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c2ccccc21 ZINC000563941407 1018986927 /nfs/dbraw/zinc/98/69/27/1018986927.db2.gz SLFHVJPKZJRBSX-SIKLNZKXSA-N 1 0 379.504 3.611 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CCC(NC(=O)COC)CC2)cc1 ZINC001204369278 1032810824 /nfs/dbraw/zinc/81/08/24/1032810824.db2.gz RRCXMSVZRCVBLH-UHFFFAOYSA-N 1 0 376.541 3.763 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001204370580 1032811212 /nfs/dbraw/zinc/81/12/12/1032811212.db2.gz DJLKXVAUHQYKQD-DEOSSOPVSA-N 1 0 382.467 3.689 20 30 GHEDRO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](Cc2ccccc2C#N)C3)n1 ZINC001204370656 1032813024 /nfs/dbraw/zinc/81/30/24/1032813024.db2.gz HKUSHYNRPFXDCU-DNQXCXABSA-N 1 0 391.515 3.850 20 30 GHEDRO N#CCc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000568387483 1019398918 /nfs/dbraw/zinc/39/89/18/1019398918.db2.gz FQBLZDMYJOLRGR-XMMPIXPASA-N 1 0 388.515 3.560 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1ccc(C#N)cc1 ZINC000569382165 1019484938 /nfs/dbraw/zinc/48/49/38/1019484938.db2.gz UDILOPVLMADQEC-CABCVRRESA-N 1 0 378.501 3.866 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228212690 1032844672 /nfs/dbraw/zinc/84/46/72/1032844672.db2.gz RMDAHLWJHOQQHQ-MRXNPFEDSA-N 1 0 380.429 3.729 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000572803470 1019803750 /nfs/dbraw/zinc/80/37/50/1019803750.db2.gz PNFQJWWANMYADE-JXFKEZNVSA-N 1 0 378.524 3.779 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCC#Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000573627645 1019834792 /nfs/dbraw/zinc/83/47/92/1019834792.db2.gz LAHDHAWBCSHOIA-AUSIDOKSSA-N 1 0 393.506 3.872 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(CC#N)cc2)[NH+]2CCCC2)cc1 ZINC000576153589 1019986165 /nfs/dbraw/zinc/98/61/65/1019986165.db2.gz BSTKRZNWKVSQND-JOCHJYFZSA-N 1 0 376.504 3.697 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000576554231 1020030345 /nfs/dbraw/zinc/03/03/45/1020030345.db2.gz HTKWTSBJVKHZKG-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000576562619 1020032938 /nfs/dbraw/zinc/03/29/38/1020032938.db2.gz XQWBSLGDKLYRLP-IBGZPJMESA-N 1 0 376.504 3.756 20 30 GHEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)c(C(F)(F)F)c2)n1 ZINC000600721455 1020225149 /nfs/dbraw/zinc/22/51/49/1020225149.db2.gz MKDMHEORGPXIAD-KRWDZBQOSA-N 1 0 392.425 3.652 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](c4cccnc4)C3)sc2C1 ZINC000578319758 1020343317 /nfs/dbraw/zinc/34/33/17/1020343317.db2.gz WWKHDRBFBZSWIH-WBVHZDCISA-N 1 0 394.544 3.958 20 30 GHEDRO CN1CCC(CNc2c(C#N)c(Cl)nc3cccc(Cl)c32)([NH+](C)C)CC1 ZINC001156188220 1032915978 /nfs/dbraw/zinc/91/59/78/1032915978.db2.gz QQMRITPMDZLBRJ-UHFFFAOYSA-N 1 0 392.334 3.851 20 30 GHEDRO C=CCN1C(=O)CCC12CCN(Cc1cc(Br)ccc1F)CC2 ZINC001204498247 1032929227 /nfs/dbraw/zinc/92/92/27/1032929227.db2.gz ZITIOODAISDEPM-UHFFFAOYSA-N 1 0 381.289 3.731 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)cs3)c(OCC)c2)CC1 ZINC000194239489 1020964189 /nfs/dbraw/zinc/96/41/89/1020964189.db2.gz JPNPSJIILICJBL-UHFFFAOYSA-N 1 0 398.532 3.803 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)oc1C ZINC001204531868 1032955018 /nfs/dbraw/zinc/95/50/18/1032955018.db2.gz ARUPHILYVZXPQQ-HSZRJFAPSA-N 1 0 379.504 3.887 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(F)ccc1Br)C2 ZINC001204541280 1032960152 /nfs/dbraw/zinc/96/01/52/1032960152.db2.gz HTYJWHKFLOFJKF-WMZOPIPTSA-N 1 0 384.289 3.914 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2ccc3c(C#N)c[nH]c3n2)cc1 ZINC001156294426 1032964199 /nfs/dbraw/zinc/96/41/99/1032964199.db2.gz PCMCBZKKMXTSDY-IBGZPJMESA-N 1 0 389.503 3.934 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc3ccc(Cl)cn13)[C@@H]2CC ZINC001140428988 1021681629 /nfs/dbraw/zinc/68/16/29/1021681629.db2.gz VCEXKTRKTDVTFL-NQIIRXRSSA-N 1 0 386.927 3.909 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CCC[C@H]1O ZINC001140437555 1021705672 /nfs/dbraw/zinc/70/56/72/1021705672.db2.gz KIZJKZRZPRJPLH-FOIQADDNSA-N 1 0 383.492 3.889 20 30 GHEDRO c1ccc(C[N@@H+]2CCC(N=Nc3nc(-c4ccncc4)no3)[C@@H]3CCC[C@H]32)cc1 ZINC000834952254 1021727531 /nfs/dbraw/zinc/72/75/31/1021727531.db2.gz NSSLLVYHYDVEDO-AZUAARDMSA-N 1 0 388.475 3.974 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2ccc(C(=O)OC)c(F)c2)ccc1O ZINC000835021550 1021775515 /nfs/dbraw/zinc/77/55/15/1021775515.db2.gz XQEYDLGXYCNXTJ-UHFFFAOYSA-N 1 0 387.455 3.996 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1nc3ccccn3c1C)CC2 ZINC001137266975 1021777771 /nfs/dbraw/zinc/77/77/71/1021777771.db2.gz HSHLUNJOEURUMI-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO CC(N=Nc1cccc(Br)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000835024390 1021779654 /nfs/dbraw/zinc/77/96/54/1021779654.db2.gz QJCAEDVEFZOVIZ-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccc(F)cc1 ZINC000677814252 1021883724 /nfs/dbraw/zinc/88/37/24/1021883724.db2.gz KFUMGHQQTZVYDO-UHFFFAOYSA-N 1 0 388.512 3.607 20 30 GHEDRO C=CCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1OC ZINC000678144534 1021909100 /nfs/dbraw/zinc/90/91/00/1021909100.db2.gz JPTORRYJVDMMFR-UHFFFAOYSA-N 1 0 380.488 3.784 20 30 GHEDRO C#C[C@H](NC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000827228507 1021974120 /nfs/dbraw/zinc/97/41/20/1021974120.db2.gz SZJLFGGQZLPYNQ-GMAHTHKFSA-N 1 0 375.516 3.915 20 30 GHEDRO CCOC(=O)c1[nH]c2ccccc2c1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001228656782 1033032322 /nfs/dbraw/zinc/03/23/22/1033032322.db2.gz JJPVCEJJMHUFIB-GOSISDBHSA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(Br)ccc(F)c3F)CC2)C1=O ZINC001276382450 1022376661 /nfs/dbraw/zinc/37/66/61/1022376661.db2.gz LGMATGYWVMUHOL-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2ncc(CC#N)cc2Cl)C1 ZINC001156472887 1033053221 /nfs/dbraw/zinc/05/32/21/1033053221.db2.gz QPEKEUWHAWMABU-MRXNPFEDSA-N 1 0 380.996 3.672 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC001156472144 1033051348 /nfs/dbraw/zinc/05/13/48/1033051348.db2.gz GUEJHRHIIDHYQA-GOSISDBHSA-N 1 0 382.584 3.977 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000754200164 1022534122 /nfs/dbraw/zinc/53/41/22/1022534122.db2.gz IVPORZBCKGCHHF-PZJWPPBQSA-N 1 0 382.467 3.835 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3cccc(Br)c3C#N)cc2)CC1 ZINC001204751290 1033066919 /nfs/dbraw/zinc/06/69/19/1033066919.db2.gz PTSOZNWYDZEOJO-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO CN(Cc1ccco1)[C@@H]1CN(Cc2cccc(C#N)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001140813386 1022610363 /nfs/dbraw/zinc/61/03/63/1022610363.db2.gz GYLDWCNZXXKWKZ-SBHAEUEKSA-N 1 0 385.895 3.668 20 30 GHEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754320450 1022618616 /nfs/dbraw/zinc/61/86/16/1022618616.db2.gz SXKLTPINFAYXOU-MJGOQNOKSA-N 1 0 387.524 3.952 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000754890730 1022952525 /nfs/dbraw/zinc/95/25/25/1022952525.db2.gz RBDOZJNAFHDKKE-UHFFFAOYSA-N 1 0 380.492 3.965 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000836542622 1023095791 /nfs/dbraw/zinc/09/57/91/1023095791.db2.gz QHSQWMPYEHLTMN-UHFFFAOYSA-N 1 0 383.414 3.579 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(C)c(F)cc3Br)C2)C1=O ZINC001277332162 1033114361 /nfs/dbraw/zinc/11/43/61/1033114361.db2.gz OUIHWJZIBPMMND-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(=NNC(=S)Nc1ccccc1)c1ccccc1O2 ZINC000755497874 1023272397 /nfs/dbraw/zinc/27/23/97/1023272397.db2.gz TYWSKWZOBZZUKC-UHFFFAOYSA-N 1 0 380.517 3.624 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000755735009 1023356669 /nfs/dbraw/zinc/35/66/69/1023356669.db2.gz ZSUWWXRETXHHAM-UHFFFAOYSA-N 1 0 398.304 3.847 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc4cc(OC)ccc4nc3Cl)C2)C1=O ZINC001141063289 1023411879 /nfs/dbraw/zinc/41/18/79/1023411879.db2.gz MMJIEWSRWVDKHN-JOCHJYFZSA-N 1 0 399.922 3.897 20 30 GHEDRO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4sc(N)c(C#N)c4Cl)C[C@H]3C2)cc1 ZINC001141109033 1023522438 /nfs/dbraw/zinc/52/24/38/1023522438.db2.gz GOCVSPUJHYIWCC-IYBDPMFKSA-N 1 0 386.952 3.728 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C[C@H]1CNC(=O)OC(C)(C)C ZINC001141109066 1023522506 /nfs/dbraw/zinc/52/25/06/1023522506.db2.gz MCBJTWJQEFGVTD-NWDGAFQWSA-N 1 0 398.960 3.838 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1C#N ZINC000756760799 1023804768 /nfs/dbraw/zinc/80/47/68/1023804768.db2.gz ODFMNBJJGSKGFX-RBBKRZOGSA-N 1 0 398.528 3.750 20 30 GHEDRO C#CC[C@H](NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccccc1 ZINC000756922251 1023867519 /nfs/dbraw/zinc/86/75/19/1023867519.db2.gz NODXRPMBUIEWLC-FQEVSTJZSA-N 1 0 376.504 3.715 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000756943184 1023878799 /nfs/dbraw/zinc/87/87/99/1023878799.db2.gz UCADERLUGNQDSZ-UHFFFAOYSA-N 1 0 387.483 3.877 20 30 GHEDRO C#CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000757058124 1023922951 /nfs/dbraw/zinc/92/29/51/1023922951.db2.gz AMFRSOWSCLDOSC-QHCPKHFHSA-N 1 0 375.516 3.977 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(-c3ncccn3)cc1)CC2 ZINC001141187128 1024049724 /nfs/dbraw/zinc/04/97/24/1024049724.db2.gz SWRXWHKVWMOSLN-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(O)ccc1Br)C2 ZINC001138143041 1024222746 /nfs/dbraw/zinc/22/27/46/1024222746.db2.gz WUZFTJYYQMWTMP-RBUKOAKNSA-N 1 0 396.325 3.728 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C12CCCC2 ZINC000831021997 1024312276 /nfs/dbraw/zinc/31/22/76/1024312276.db2.gz PLUJTRMOCXGZRJ-RBUKOAKNSA-N 1 0 385.508 3.503 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccccc1 ZINC000831100227 1024354806 /nfs/dbraw/zinc/35/48/06/1024354806.db2.gz TWEJMOBRIFOAQL-NRFANRHFSA-N 1 0 376.504 3.633 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3cc(C(=O)OC)ccc13)CCO2 ZINC001138265188 1024500757 /nfs/dbraw/zinc/50/07/57/1024500757.db2.gz QWVISNKUZALJHV-WMZHIEFXSA-N 1 0 398.503 3.528 20 30 GHEDRO N#Cc1ccc(C2CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC2)cc1 ZINC001156765255 1033228700 /nfs/dbraw/zinc/22/87/00/1033228700.db2.gz FTOMDTXZSNLECB-UHFFFAOYSA-N 1 0 381.911 3.853 20 30 GHEDRO C#CCOc1ccc(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)cc1OC ZINC001138346283 1024706699 /nfs/dbraw/zinc/70/66/99/1024706699.db2.gz AJPTWRYYKDTLRH-UHFFFAOYSA-N 1 0 376.500 3.514 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@H]2CC ZINC001138434726 1024840789 /nfs/dbraw/zinc/84/07/89/1024840789.db2.gz NVFOUGHGQNQRPR-GMAHTHKFSA-N 1 0 386.536 3.934 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cccc2c1[C@]1(CCc3cccc(O)c31)CC2 ZINC001229032975 1033241155 /nfs/dbraw/zinc/24/11/55/1033241155.db2.gz PCVKWZKDANDSAO-NTKDMRAZSA-O 1 0 377.508 3.938 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC001138558382 1025019284 /nfs/dbraw/zinc/01/92/84/1025019284.db2.gz STEKICSIJVAKHR-QFIPXVFZSA-N 1 0 380.513 3.779 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)c1O ZINC001138627351 1025127659 /nfs/dbraw/zinc/12/76/59/1025127659.db2.gz CYJIPDZEOWQIGE-JOCHJYFZSA-N 1 0 376.500 3.916 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1O ZINC001138628259 1025128518 /nfs/dbraw/zinc/12/85/18/1025128518.db2.gz WBXRASSPFMRWGB-UHFFFAOYSA-N 1 0 391.515 3.644 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)c1O ZINC001138627753 1025128710 /nfs/dbraw/zinc/12/87/10/1025128710.db2.gz OECAGIGHBKANTI-UHFFFAOYSA-N 1 0 397.544 3.706 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCN(c3nc4ccccc4n3CC)CC2)c1O ZINC001138631352 1025136434 /nfs/dbraw/zinc/13/64/34/1025136434.db2.gz QCFAPVRQXWXLPH-UHFFFAOYSA-N 1 0 376.504 3.813 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001138661256 1025180696 /nfs/dbraw/zinc/18/06/96/1025180696.db2.gz QTZZLEYFURLKEE-QPPBQGQZSA-N 1 0 376.500 3.747 20 30 GHEDRO C=CCN1C(=O)CCC12CCN(Cc1cc(Cl)cc(OC)c1OC)CC2 ZINC001138743154 1025282844 /nfs/dbraw/zinc/28/28/44/1025282844.db2.gz PMBHPLSYVRHXCQ-UHFFFAOYSA-N 1 0 378.900 3.500 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138745316 1025285790 /nfs/dbraw/zinc/28/57/90/1025285790.db2.gz NBCHPTOHJRKHTL-FXAWDEMLSA-N 1 0 381.900 3.683 20 30 GHEDRO C#Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000838724542 1025325952 /nfs/dbraw/zinc/32/59/52/1025325952.db2.gz RLIGWAPFMIFEJL-AUSIDOKSSA-N 1 0 375.516 3.862 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000832259830 1025383298 /nfs/dbraw/zinc/38/32/98/1025383298.db2.gz WNWZGQHWKCRODV-PCCBWWKXSA-N 1 0 399.535 3.561 20 30 GHEDRO COCCC[NH+]1CCC(Oc2cc3ncc(C#N)c(Cl)c3cc2OC)CC1 ZINC001229116580 1033287349 /nfs/dbraw/zinc/28/73/49/1033287349.db2.gz GAVIBPVYNNDFHD-UHFFFAOYSA-N 1 0 389.883 3.648 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)nc1 ZINC000839029762 1025529784 /nfs/dbraw/zinc/52/97/84/1025529784.db2.gz JGUGYHPTJDTLKS-UHFFFAOYSA-N 1 0 385.309 3.996 20 30 GHEDRO COc1cccc(CC2([NH3+])CCN(c3nc(-c4ccncc4)ccc3C#N)CC2)c1 ZINC001162050746 1025565337 /nfs/dbraw/zinc/56/53/37/1025565337.db2.gz YFFDJLVVGLURCJ-UHFFFAOYSA-N 1 0 399.498 3.564 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(N[C@@H](COC(C)(C)C)C(=O)OC(C)(C)C)cc1C#N ZINC001162076694 1025587955 /nfs/dbraw/zinc/58/79/55/1025587955.db2.gz JCRORHFMTRKJJI-TTXZLZEXSA-N 1 0 388.512 3.717 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000839141321 1025636502 /nfs/dbraw/zinc/63/65/02/1025636502.db2.gz VVVVCKUFCJBXLN-SFHVURJKSA-N 1 0 387.524 3.603 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839158870 1025662516 /nfs/dbraw/zinc/66/25/16/1025662516.db2.gz YQLNFJIMJWJJRK-FOIQADDNSA-N 1 0 380.479 3.523 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000839199987 1025719306 /nfs/dbraw/zinc/71/93/06/1025719306.db2.gz OOPAEGDPKJUQKJ-BVYCBKJFSA-N 1 0 383.536 3.503 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC001162450982 1025751947 /nfs/dbraw/zinc/75/19/47/1025751947.db2.gz JGPIJMIZSNKYDP-QGZVFWFLSA-N 1 0 381.561 3.569 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001139028221 1025794444 /nfs/dbraw/zinc/79/44/44/1025794444.db2.gz QALODSCIFWFNFT-DEOSSOPVSA-N 1 0 391.515 3.804 20 30 GHEDRO Cc1ccc(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)nc1C#N ZINC001162676092 1025868528 /nfs/dbraw/zinc/86/85/28/1025868528.db2.gz IZAUHYLMMFSOGC-UHFFFAOYSA-N 1 0 390.487 3.591 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139078800 1025892453 /nfs/dbraw/zinc/89/24/53/1025892453.db2.gz NXGPTERPFHJWAB-GMAHTHKFSA-N 1 0 395.503 3.843 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C2 ZINC001139116284 1025925053 /nfs/dbraw/zinc/92/50/53/1025925053.db2.gz DVBJEDHDERZUPC-RXVVDRJESA-N 1 0 395.927 3.931 20 30 GHEDRO Cc1nnc(NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)c(C#N)c1C ZINC001162948200 1025980645 /nfs/dbraw/zinc/98/06/45/1025980645.db2.gz BMQVHCNTZUVCMP-CALCHBBNSA-N 1 0 393.535 3.586 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(Br)c3)C2)C1=O ZINC001139173964 1025999323 /nfs/dbraw/zinc/99/93/23/1025999323.db2.gz OMUMKOBPCZTHBS-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001163270809 1026116781 /nfs/dbraw/zinc/11/67/81/1026116781.db2.gz ULYHLGSXDSNRFK-LBPRGKRZSA-N 1 0 383.229 3.613 20 30 GHEDRO N#Cc1ccc(Br)c(CN(Cc2cccnc2)C2CCOCC2)c1 ZINC001141661004 1026155640 /nfs/dbraw/zinc/15/56/40/1026155640.db2.gz VXSGOBGXYOXJAQ-UHFFFAOYSA-N 1 0 386.293 3.897 20 30 GHEDRO CN(CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000839654307 1026174173 /nfs/dbraw/zinc/17/41/73/1026174173.db2.gz HMCOQEPAXOXYIW-UHFFFAOYSA-N 1 0 397.523 3.648 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH+]3CCC(C#Cc4ccccc4)CC3)cn2)C[C@H](C)O1 ZINC001139387238 1026254042 /nfs/dbraw/zinc/25/40/42/1026254042.db2.gz APAYXINMAFICAO-OYRHEFFESA-N 1 0 389.543 3.959 20 30 GHEDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)c1 ZINC001139405765 1026277442 /nfs/dbraw/zinc/27/74/42/1026277442.db2.gz BEUAYSUOFJNVRR-OAQYLSRUSA-N 1 0 386.455 3.677 20 30 GHEDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139423419 1026293849 /nfs/dbraw/zinc/29/38/49/1026293849.db2.gz HPHHNHPCDGOGPV-JTHBVZDNSA-N 1 0 393.487 3.763 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2CF)CC1 ZINC001139526603 1026382656 /nfs/dbraw/zinc/38/26/56/1026382656.db2.gz AMMZCBALXGDREL-IAGOWNOFSA-N 1 0 391.462 3.772 20 30 GHEDRO Cc1cnc(Cl)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001139589702 1026452102 /nfs/dbraw/zinc/45/21/02/1026452102.db2.gz HXYWSAFLVYNJDH-OAQYLSRUSA-N 1 0 380.879 3.544 20 30 GHEDRO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2cccc(Cl)c2C#N)CC3)n1 ZINC001139689680 1026541018 /nfs/dbraw/zinc/54/10/18/1026541018.db2.gz STIJKCBWUYVDQW-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001139689907 1026542521 /nfs/dbraw/zinc/54/25/21/1026542521.db2.gz XWOFMFSURDRDDT-PKOBYXMFSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CCC(=O)N4Cc4ccncc4)CC3)c[nH]c21 ZINC001139702484 1026546982 /nfs/dbraw/zinc/54/69/82/1026546982.db2.gz BXACUPNZAKPZFP-UHFFFAOYSA-N 1 0 399.498 3.592 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CCC[C@H](c4noc(C(F)(F)F)n4)C3)c[nH]c21 ZINC001139703212 1026548391 /nfs/dbraw/zinc/54/83/91/1026548391.db2.gz LNEOQZZEINHFDQ-LBPRGKRZSA-N 1 0 375.354 3.821 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@H]12 ZINC001139705532 1026551458 /nfs/dbraw/zinc/55/14/58/1026551458.db2.gz UHTVBNDUCKEMRI-UKILVPOCSA-N 1 0 398.510 3.804 20 30 GHEDRO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001164587168 1026559803 /nfs/dbraw/zinc/55/98/03/1026559803.db2.gz KZAWXYLFTJFYOT-GOSISDBHSA-N 1 0 387.487 3.636 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1C#N ZINC001139724213 1026566772 /nfs/dbraw/zinc/56/67/72/1026566772.db2.gz NQHPMJUZGQUXEJ-RPWUZVMVSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N ZINC001139724301 1026567515 /nfs/dbraw/zinc/56/75/15/1026567515.db2.gz LTCJYTIGRBKQDP-QHCPKHFHSA-N 1 0 399.535 3.716 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)cc1C#N ZINC001139724211 1026567992 /nfs/dbraw/zinc/56/79/92/1026567992.db2.gz NQHPMJUZGQUXEJ-BJKOFHAPSA-N 1 0 391.515 3.850 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139727510 1026569866 /nfs/dbraw/zinc/56/98/66/1026569866.db2.gz SMKGWBOUUDADMY-FQEVSTJZSA-N 1 0 387.524 3.715 20 30 GHEDRO COCC[N@H+](Cc1ccc(C)c(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139726244 1026570044 /nfs/dbraw/zinc/57/00/44/1026570044.db2.gz CAEHYBHDPUYETH-UHFFFAOYSA-N 1 0 387.524 3.715 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139727511 1026570241 /nfs/dbraw/zinc/57/02/41/1026570241.db2.gz SMKGWBOUUDADMY-HXUWFJFHSA-N 1 0 387.524 3.715 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[NH+](CCc4ccncc4)CC3)c12 ZINC001165060216 1026579577 /nfs/dbraw/zinc/57/95/77/1026579577.db2.gz ULAXLBUVHSTLRW-UHFFFAOYSA-N 1 0 391.906 3.828 20 30 GHEDRO N#Cc1cc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc(Cl)n1 ZINC001165090341 1026600348 /nfs/dbraw/zinc/60/03/48/1026600348.db2.gz YDNJZFIMEHKLQS-QAPCUYQASA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)cn1 ZINC001139771890 1026605363 /nfs/dbraw/zinc/60/53/63/1026605363.db2.gz SMYMRWYJJHLXCL-UHFFFAOYSA-N 1 0 399.502 3.553 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)c1 ZINC001139876602 1026691635 /nfs/dbraw/zinc/69/16/35/1026691635.db2.gz GABSQIVBDQOYMO-UHFFFAOYSA-N 1 0 392.478 3.611 20 30 GHEDRO CCCc1cc(C#N)c(N(c2ncnc3c2CC[NH2+]CC3)C(C)C)nc1Cl ZINC001165510611 1026749363 /nfs/dbraw/zinc/74/93/63/1026749363.db2.gz NAABQGQJMMZLRY-UHFFFAOYSA-N 1 0 384.915 3.584 20 30 GHEDRO Cc1cccc(N(c2nc(Cl)c(F)cc2C#N)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165771487 1026829947 /nfs/dbraw/zinc/82/99/47/1026829947.db2.gz LTBZXXRQJXAGPM-OXQOHEQNSA-N 1 0 386.858 3.713 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(CC(=O)N(c5cccc(F)c5)C4)C3)c2c1 ZINC001140114328 1026896307 /nfs/dbraw/zinc/89/63/07/1026896307.db2.gz UYUBZHGGECZIHW-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO Cn1c2ccccc2n(C2CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)c1=O ZINC001140115341 1026897411 /nfs/dbraw/zinc/89/74/11/1026897411.db2.gz WLWJCPIWYSZVHU-UHFFFAOYSA-N 1 0 385.471 3.530 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c(F)c1 ZINC001140136908 1026910523 /nfs/dbraw/zinc/91/05/23/1026910523.db2.gz RYLQFNQSXOBWPD-XMMPIXPASA-N 1 0 391.490 3.755 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(c1ccc3c(cc(OC)cc3OC)n1)CCO2 ZINC001166370587 1026987445 /nfs/dbraw/zinc/98/74/45/1026987445.db2.gz SMKIHHZFLLOUBQ-UZUQRXQVSA-N 1 0 398.503 3.830 20 30 GHEDRO N#Cc1cc2c(n(Cc3ccccc3CF)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001166549507 1027024669 /nfs/dbraw/zinc/02/46/69/1027024669.db2.gz CYOBXLIDLHOYDP-UHFFFAOYSA-N 1 0 387.458 3.796 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840086289 1027163957 /nfs/dbraw/zinc/16/39/57/1027163957.db2.gz LYHVCUDDOPGPJA-IBGZPJMESA-N 1 0 389.594 3.704 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001141775309 1027211727 /nfs/dbraw/zinc/21/17/27/1027211727.db2.gz MOPFZKZLCBSFKO-ZEYPLWLESA-N 1 0 391.515 3.741 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC(C)(C)C[C@H]2C)c1=S ZINC000840183986 1027322494 /nfs/dbraw/zinc/32/24/94/1027322494.db2.gz PYORGHJUHYCHSG-QGZVFWFLSA-N 1 0 377.602 3.706 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c(C)c1 ZINC001203732669 1027560468 /nfs/dbraw/zinc/56/04/68/1027560468.db2.gz VGERPDYDRDJZFY-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC001203760867 1027584083 /nfs/dbraw/zinc/58/40/83/1027584083.db2.gz PWXNFEIHGKMVLM-XZOQPEGZSA-N 1 0 377.488 3.541 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(CCO)CCCCC1 ZINC001461261753 1069467981 /nfs/dbraw/zinc/46/79/81/1069467981.db2.gz BQPBMDCLSQULJE-UHFFFAOYSA-N 1 0 380.326 3.884 20 30 GHEDRO CC(=O)N1CCCC[C@]12CCCN(Cc1cc(Br)ccc1C#N)C2 ZINC001141900686 1027621188 /nfs/dbraw/zinc/62/11/88/1027621188.db2.gz BRNWFVSPLNFBAZ-LJQANCHMSA-N 1 0 390.325 3.688 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccc(C)cc21 ZINC001203901057 1027695109 /nfs/dbraw/zinc/69/51/09/1027695109.db2.gz FDYJEUZKVPEKSX-JOCHJYFZSA-N 1 0 388.515 3.774 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C)c(Br)c3F)C2)C1=O ZINC001276438651 1027848077 /nfs/dbraw/zinc/84/80/77/1027848077.db2.gz JSPZNUXHILSVTJ-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO CC(C)[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC001211245816 1027856556 /nfs/dbraw/zinc/85/65/56/1027856556.db2.gz TYLMWKADVBWHJH-LJQANCHMSA-N 1 0 376.932 3.767 20 30 GHEDRO CC[C@H](C)Sc1ccc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(C(F)(F)F)c1 ZINC000841093431 1028122385 /nfs/dbraw/zinc/12/23/85/1028122385.db2.gz SRMMMJYPXHRMJI-RWSFTLGLSA-N 1 0 386.443 3.829 20 30 GHEDRO CCOC(=O)C1CC[NH+](Cc2cccc(Nc3ccc(C#N)cc3N)c2)CC1 ZINC001213363981 1028138032 /nfs/dbraw/zinc/13/80/32/1028138032.db2.gz RAUMZVJPCXUYNQ-UHFFFAOYSA-N 1 0 378.476 3.659 20 30 GHEDRO COc1cc(NC(=O)c2ccccc2SCC#N)ccc1OCC[NH+](C)C ZINC000841465925 1028670685 /nfs/dbraw/zinc/67/06/85/1028670685.db2.gz OJPXXKGBWGMHBA-UHFFFAOYSA-N 1 0 385.489 3.504 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142344070 1028725977 /nfs/dbraw/zinc/72/59/77/1028725977.db2.gz QZDXNNAZVZTQPQ-UHFFFAOYSA-N 1 0 396.922 3.889 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC001214919921 1028965841 /nfs/dbraw/zinc/96/58/41/1028965841.db2.gz OMDCCYRHOUFWAA-UHFFFAOYSA-N 1 0 398.894 3.669 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccncc1 ZINC000841824408 1028968907 /nfs/dbraw/zinc/96/89/07/1028968907.db2.gz FGVPSDMYPSMDHG-GIVPXCGWSA-N 1 0 382.483 3.530 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)c2)s1 ZINC000841831229 1028971650 /nfs/dbraw/zinc/97/16/50/1028971650.db2.gz RKQKRKYISXLXIE-WKILWMFISA-N 1 0 382.533 3.851 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)c3)no2)cc1 ZINC001215291274 1029134715 /nfs/dbraw/zinc/13/47/15/1029134715.db2.gz KBWSVLCCAATMFN-UHFFFAOYSA-N 1 0 376.460 3.720 20 30 GHEDRO N#Cc1cccc2[nH]cc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)c21 ZINC001142638815 1029196689 /nfs/dbraw/zinc/19/66/89/1029196689.db2.gz JKPGWEKDZOWXTL-UHFFFAOYSA-N 1 0 376.485 3.841 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC000842681956 1029487714 /nfs/dbraw/zinc/48/77/14/1029487714.db2.gz KQIKMXVDKFSKCQ-WSTZPKSXSA-N 1 0 377.573 3.652 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2ccc(I)cc2C#N)c1F ZINC001216224388 1029573817 /nfs/dbraw/zinc/57/38/17/1029573817.db2.gz ARWSUIWEEWZKLN-UHFFFAOYSA-N 1 0 381.192 3.765 20 30 GHEDRO N#Cc1ccc(-c2noc(-c3ccc(N4CC[NH2+]CC4)cc3)n2)c2ccccc12 ZINC001216436699 1029637618 /nfs/dbraw/zinc/63/76/18/1029637618.db2.gz NVFYDLSOYKJVNY-UHFFFAOYSA-N 1 0 381.439 3.838 20 30 GHEDRO Cc1cc(N2CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)n(-c2ccccc2)n1 ZINC001142926482 1029702586 /nfs/dbraw/zinc/70/25/86/1029702586.db2.gz REBWYINBZMUZHU-UHFFFAOYSA-N 1 0 396.498 3.856 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(C[C@H](c5ccccc5)C(=O)N4)CC3)c[nH]c2c1 ZINC001142928585 1029709782 /nfs/dbraw/zinc/70/97/82/1029709782.db2.gz DBIMUWJEVFUJLJ-OAQYLSRUSA-N 1 0 384.483 3.678 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(-c3ccccc3)nn1C)C2 ZINC001143008897 1029778605 /nfs/dbraw/zinc/77/86/05/1029778605.db2.gz CADQJJVJWXWCRV-PKTZIBPZSA-N 1 0 381.520 3.661 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CC4(C3)CC[NH2+]C4)c2)cc1 ZINC001222380078 1030096328 /nfs/dbraw/zinc/09/63/28/1030096328.db2.gz RIEOXIFBTJNVDS-UHFFFAOYSA-N 1 0 398.304 3.908 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2cnn(CC[NH+]3CCCC3)c2)n1 ZINC001222461481 1030146552 /nfs/dbraw/zinc/14/65/52/1030146552.db2.gz WWFISUPDIFWKAK-UHFFFAOYSA-N 1 0 381.524 3.754 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cc3cc(O)ccc3[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001149511746 1030200842 /nfs/dbraw/zinc/20/08/42/1030200842.db2.gz VWXRBEWCMQEUPN-WGSAOQKQSA-N 1 0 388.471 3.657 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)CC1 ZINC001217288904 1030285387 /nfs/dbraw/zinc/28/53/87/1030285387.db2.gz MAUMLCGBPJVYKS-UHFFFAOYSA-N 1 0 399.926 3.868 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4c[nH]c5cc(C#N)ccc45)n3)c2)CC1 ZINC001217386911 1030356727 /nfs/dbraw/zinc/35/67/27/1030356727.db2.gz FZONWAHCUSIEJS-UHFFFAOYSA-N 1 0 398.470 3.504 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001223499659 1030606111 /nfs/dbraw/zinc/60/61/11/1030606111.db2.gz UAGQSRUJSKQFGE-QHCPKHFHSA-N 1 0 390.531 3.903 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)Nc1cccc(-c2ccc(Br)cc2)c1 ZINC001217699142 1030616776 /nfs/dbraw/zinc/61/67/76/1030616776.db2.gz RFUWPPAVXJEDFX-UHFFFAOYSA-N 1 0 386.293 3.803 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2C[NH2+]CCC[C@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001217979088 1030701959 /nfs/dbraw/zinc/70/19/59/1030701959.db2.gz DYYIQDMPTWABLC-VKQWELSQSA-N 1 0 385.435 3.766 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CCC[NH2+]CC3)c3ccccc23)ccc1F ZINC001217997345 1030713327 /nfs/dbraw/zinc/71/33/27/1030713327.db2.gz UINBZDKQBNWLME-QGZVFWFLSA-N 1 0 376.435 3.752 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3CCC[NH2+]CC3)c3ccccc23)ccc1F ZINC001217997344 1030714190 /nfs/dbraw/zinc/71/41/90/1030714190.db2.gz UINBZDKQBNWLME-KRWDZBQOSA-N 1 0 376.435 3.752 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[NH2+]CC[C@@H]2C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218033581 1030734431 /nfs/dbraw/zinc/73/44/31/1030734431.db2.gz DWOUNSVIQCVORE-PGEQTJALSA-N 1 0 397.471 3.769 20 30 GHEDRO O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089354 1030766228 /nfs/dbraw/zinc/76/62/28/1030766228.db2.gz FEDPIQWFMBJCEN-LYCIIGALSA-N 1 0 395.455 3.611 20 30 GHEDRO COc1cc(O[C@H]2CC[C@]23CC[NH2+]C3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218115483 1030780139 /nfs/dbraw/zinc/78/01/39/1030780139.db2.gz GXCDRUCEYXWINF-IUSFGXNHSA-N 1 0 379.456 3.818 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001218135733 1030791710 /nfs/dbraw/zinc/79/17/10/1030791710.db2.gz GGJQJKAJUXJPAT-OPVJXMOQSA-N 1 0 391.467 3.776 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)cccc1C2=O ZINC001218147031 1030797084 /nfs/dbraw/zinc/79/70/84/1030797084.db2.gz IQGPBPYPFOSBKZ-XOKHGSTOSA-N 1 0 381.472 3.676 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@@H]3CCC4(C[NH2+]C4)C3)c2C1=O ZINC001218236823 1030844195 /nfs/dbraw/zinc/84/41/95/1030844195.db2.gz CXJMCGVAVXLNDS-MRXNPFEDSA-N 1 0 381.472 3.965 20 30 GHEDRO COc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218248428 1030852252 /nfs/dbraw/zinc/85/22/52/1030852252.db2.gz FOYOUPXXHVCJRZ-RECXHCAASA-N 1 0 379.456 3.816 20 30 GHEDRO C#CC[C@H](NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC001151314900 1030859711 /nfs/dbraw/zinc/85/97/11/1030859711.db2.gz RVCKLAHTFKYWAP-QFIPXVFZSA-N 1 0 395.934 3.733 20 30 GHEDRO Cc1cc(O[C@H]2C[NH2+]CC[C@H]2F)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218318965 1030890847 /nfs/dbraw/zinc/89/08/47/1030890847.db2.gz KEHYZBKMDBXLMR-JGWILWEVSA-N 1 0 385.435 3.690 20 30 GHEDRO CCOC(=O)[C@H](O[C@H]1CCN(Cc2ccccc2C#N)C1)c1ccccc1F ZINC001224153720 1030904486 /nfs/dbraw/zinc/90/44/86/1030904486.db2.gz IPOUSSZPWXHUQR-GHTZIAJQSA-N 1 0 382.435 3.593 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)cc(C)c1O ZINC001276958135 1030931576 /nfs/dbraw/zinc/93/15/76/1030931576.db2.gz CUUMFLMIINDYTR-LJQANCHMSA-N 1 0 393.325 3.606 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218450478 1030940856 /nfs/dbraw/zinc/94/08/56/1030940856.db2.gz WUBAVGZMWINULO-ZWDAVXSWSA-N 1 0 377.440 3.528 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(O)cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001218451167 1030941055 /nfs/dbraw/zinc/94/10/55/1030941055.db2.gz AYKVLGZTVYCPFB-YLJYHZDGSA-N 1 0 396.443 3.915 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218450477 1030941326 /nfs/dbraw/zinc/94/13/26/1030941326.db2.gz WUBAVGZMWINULO-PERKRYKHSA-N 1 0 377.440 3.528 20 30 GHEDRO COc1cc(O[C@H]2C[NH2+]CCC2(F)F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218455092 1030943690 /nfs/dbraw/zinc/94/36/90/1030943690.db2.gz UXCCRWDULHVHQP-MRSBXDGLSA-N 1 0 389.398 3.673 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)c2)cc1OC ZINC001218460583 1030946541 /nfs/dbraw/zinc/94/65/41/1030946541.db2.gz MYYSCNCIONULOB-NQKRCTOESA-N 1 0 393.483 3.977 20 30 GHEDRO Cc1nc(O[C@H]2C[NH2+]Cc3ccccc32)c(C#N)cc1-c1ccc2nccn2c1 ZINC001218492003 1030960193 /nfs/dbraw/zinc/96/01/93/1030960193.db2.gz ZMYICNHJMTVFFS-NRFANRHFSA-N 1 0 381.439 3.800 20 30 GHEDRO CCCCC[C@H]([NH2+]C)C(=O)Nc1sc2c(c1C#N)[C@@H](C(=O)OCC)CCC2 ZINC001218561621 1030986478 /nfs/dbraw/zinc/98/64/78/1030986478.db2.gz SPXKXZUINFSKLN-ZFWWWQNUSA-N 1 0 391.537 3.710 20 30 GHEDRO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CCCCCCC[NH3+])c(C#N)c21 ZINC001218560928 1030986774 /nfs/dbraw/zinc/98/67/74/1030986774.db2.gz NDRZYGXQQWUCPL-CQSZACIVSA-N 1 0 391.537 3.841 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2ccc(Cl)s2)on1 ZINC001218782435 1031077397 /nfs/dbraw/zinc/07/73/97/1031077397.db2.gz MKDSFXQQJJTTQQ-KGLIPLIRSA-N 1 0 398.875 3.870 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)C[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1C#N ZINC001218914392 1031149437 /nfs/dbraw/zinc/14/94/37/1031149437.db2.gz BEDDSAWEGHNSJY-MRXNPFEDSA-N 1 0 390.365 3.564 20 30 GHEDRO CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](S)C[NH2+]2)c1 ZINC001218948962 1031170500 /nfs/dbraw/zinc/17/05/00/1031170500.db2.gz PMBCJLRASXIHIW-OALUTQOASA-N 1 0 397.544 3.663 20 30 GHEDRO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218971943 1031189060 /nfs/dbraw/zinc/18/90/60/1031189060.db2.gz GAECSYJWAFOAKM-QFIPXVFZSA-N 1 0 388.515 3.889 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC001225093026 1031256011 /nfs/dbraw/zinc/25/60/11/1031256011.db2.gz FAVAJVWXDHDWHP-NPPFBWRTSA-N 1 0 376.504 3.687 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc2ccccc2c1I ZINC001225385503 1031374965 /nfs/dbraw/zinc/37/49/65/1031374965.db2.gz VVKSLHWKSFIQMY-CQSZACIVSA-N 1 0 395.264 3.812 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)Nc2ccc(C#N)cc2C#N)cc1 ZINC001219392976 1031393107 /nfs/dbraw/zinc/39/31/07/1031393107.db2.gz HIKCZOJCNZLEIV-SFHVURJKSA-N 1 0 376.460 3.506 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)nc1 ZINC001219422574 1031411564 /nfs/dbraw/zinc/41/15/64/1031411564.db2.gz MTMJFNVAMKKWGZ-FQEVSTJZSA-N 1 0 393.450 3.677 20 30 GHEDRO N#CC1(NC(=O)c2cc3c(nccc3Cl)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001153028714 1031436494 /nfs/dbraw/zinc/43/64/94/1031436494.db2.gz MAPUWQUJFXZGPF-UHFFFAOYSA-N 1 0 393.878 3.504 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001219695878 1031562294 /nfs/dbraw/zinc/56/22/94/1031562294.db2.gz YWBZWCCQQIBKDA-SCLBCKFNSA-N 1 0 387.846 3.560 20 30 GHEDRO C[C@H](NC(=O)C[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1)c1cccc(C#N)c1 ZINC001220047063 1031756516 /nfs/dbraw/zinc/75/65/16/1031756516.db2.gz PBNZITWZVYVBCB-JXFKEZNVSA-N 1 0 379.504 3.873 20 30 GHEDRO [NH3+][C@H](Cc1ccccc1F)C(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001220179981 1031820558 /nfs/dbraw/zinc/82/05/58/1031820558.db2.gz XORRAUVGEMVQRY-HXUWFJFHSA-N 1 0 386.426 3.577 20 30 GHEDRO CSc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CCN(CCCC#N)C2=O)C1 ZINC001277106899 1031843090 /nfs/dbraw/zinc/84/30/90/1031843090.db2.gz FUMGXEBMLBRIOF-LJQANCHMSA-N 1 0 377.941 3.790 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001226306443 1031908949 /nfs/dbraw/zinc/90/89/49/1031908949.db2.gz YOMSAGBRMZHLNT-PMOLBWCYSA-N 1 0 376.456 3.919 20 30 GHEDRO C#Cc1cccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1 ZINC001220485332 1031960920 /nfs/dbraw/zinc/96/09/20/1031960920.db2.gz DRPXEBZAOYMBIZ-QHCPKHFHSA-N 1 0 391.515 3.703 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC001220663420 1032049750 /nfs/dbraw/zinc/04/97/50/1032049750.db2.gz DTQAOVMUZXZBKP-ACJLOTCBSA-N 1 0 389.293 3.891 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC001220663422 1032050604 /nfs/dbraw/zinc/05/06/04/1032050604.db2.gz DTQAOVMUZXZBKP-SCLBCKFNSA-N 1 0 389.293 3.891 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2nccc(-c3cc(C#N)c(F)cc3F)n2)cn1 ZINC001205205066 1033302453 /nfs/dbraw/zinc/30/24/53/1033302453.db2.gz ZJXGEKYEIUFUQQ-UHFFFAOYSA-N 1 0 395.413 3.686 20 30 GHEDRO N#CC1(c2cccc(-c3ccc(CC[NH+]4CCOCC4)cc3)c2)CCOCC1 ZINC001205671335 1033522595 /nfs/dbraw/zinc/52/25/95/1033522595.db2.gz GQBITDFPOLQPKA-UHFFFAOYSA-N 1 0 376.500 3.800 20 30 GHEDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N ZINC001157435542 1033587716 /nfs/dbraw/zinc/58/77/16/1033587716.db2.gz TWZCLNCRXKRULK-FDDCHVKYSA-N 1 0 391.515 3.580 20 30 GHEDRO C=CCC1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCCC1 ZINC001229650584 1033615684 /nfs/dbraw/zinc/61/56/84/1033615684.db2.gz JRWZWVXPFRIHKT-UHFFFAOYSA-N 1 0 377.573 3.847 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC001205890627 1033622306 /nfs/dbraw/zinc/62/23/06/1033622306.db2.gz VDXFNEQJIPWVGQ-YRXWBPOGSA-N 1 0 379.342 3.908 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)cc1 ZINC001205917123 1033634411 /nfs/dbraw/zinc/63/44/11/1033634411.db2.gz HZDJIPVUYLMUQB-KBAYOESNSA-N 1 0 383.410 3.699 20 30 GHEDRO N#CCCCN1CC[C@]2(CCN(Cc3c(F)cc(Cl)cc3Cl)C2)C1=O ZINC001277420414 1033714232 /nfs/dbraw/zinc/71/42/32/1033714232.db2.gz XMYQHNMVFVIBBT-SFHVURJKSA-N 1 0 384.282 3.861 20 30 GHEDRO Cc1cc(-c2noc(C3(Cc4cccc(F)c4)CC[NH2+]CC3)n2)ccc1C#N ZINC001206135077 1033733275 /nfs/dbraw/zinc/73/32/75/1033733275.db2.gz LGBCZFNFGWJCSF-UHFFFAOYSA-N 1 0 376.435 3.920 20 30 GHEDRO CC(C)(CNC(=O)Nc1nc(Cl)c(C#N)s1)[N@@H+]1CCc2ccccc2C1 ZINC001206137088 1033736025 /nfs/dbraw/zinc/73/60/25/1033736025.db2.gz MTVPDBSTDVFAFS-UHFFFAOYSA-N 1 0 389.912 3.627 20 30 GHEDRO COc1cc(C(F)(F)N(CC(C)(C)C)C2CC[NH2+]CC2)c(C#N)c(Cl)n1 ZINC001157891840 1033813279 /nfs/dbraw/zinc/81/32/79/1033813279.db2.gz UNXPYIAOSSYQSD-UHFFFAOYSA-N 1 0 386.874 3.765 20 30 GHEDRO N#Cc1c(Cl)c(F)cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1Cl ZINC001157973703 1033846644 /nfs/dbraw/zinc/84/66/44/1033846644.db2.gz SSLSNVGOCHKUKQ-HNNXBMFYSA-N 1 0 378.234 3.791 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)n3cc4c(n3)CC[C@H]([NH3+])C4)cnc2Cl)c1 ZINC001157987359 1033857163 /nfs/dbraw/zinc/85/71/63/1033857163.db2.gz LKWQUCHFZAQHGU-INIZCTEOSA-N 1 0 399.832 3.884 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1-n1cnc2ccc(C[NH3+])cc21 ZINC001158012809 1033868965 /nfs/dbraw/zinc/86/89/65/1033868965.db2.gz WBCMAQGCRRTKNK-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(F)ccc(C)c3Br)CC2)C1=O ZINC001277444612 1033892623 /nfs/dbraw/zinc/89/26/23/1033892623.db2.gz GVFGUNWRXYHFFQ-UHFFFAOYSA-N 1 0 395.316 3.897 20 30 GHEDRO Cc1c[nH+]ccc1N1CCN(c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001158108974 1033918225 /nfs/dbraw/zinc/91/82/25/1033918225.db2.gz ZYSUEODYCXWBTR-UHFFFAOYSA-N 1 0 399.498 3.757 20 30 GHEDRO N#Cc1cc(-c2ccc3cnn([C@@H]4CCCCO4)c3c2)ccc1N1CC[NH2+]CC1 ZINC001206655760 1033935256 /nfs/dbraw/zinc/93/52/56/1033935256.db2.gz MWTXZPYCMVMBDC-QHCPKHFHSA-N 1 0 387.487 3.684 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(C)cc2OCCCC(C)C)CC1 ZINC001230228386 1033953945 /nfs/dbraw/zinc/95/39/45/1033953945.db2.gz SLQFLBJHTAIHSW-UHFFFAOYSA-N 1 0 385.552 3.707 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158271603 1033996750 /nfs/dbraw/zinc/99/67/50/1033996750.db2.gz XSJFFGOLPNVKFN-BFUOFWGJSA-N 1 0 378.904 3.739 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158271606 1033997115 /nfs/dbraw/zinc/99/71/15/1033997115.db2.gz XSJFFGOLPNVKFN-YJYMSZOUSA-N 1 0 378.904 3.739 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@H]2CC[N@H+](C)C2)cc1 ZINC001230435012 1034055008 /nfs/dbraw/zinc/05/50/08/1034055008.db2.gz BZRIYDQKOCRNFQ-HKMNZKMDSA-N 1 0 397.471 3.691 20 30 GHEDRO Cc1cc(N(c2ncccc2C#C[Si](C)(C)C)C2CC[NH2+]CC2)nc(C)n1 ZINC001158391688 1034058310 /nfs/dbraw/zinc/05/83/10/1034058310.db2.gz KBBLXMAUHBQRJH-UHFFFAOYSA-N 1 0 379.584 3.607 20 30 GHEDRO N#Cc1cncc(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)n1 ZINC001158417361 1034070073 /nfs/dbraw/zinc/07/00/73/1034070073.db2.gz DGQKQMMQPAZUIY-UHFFFAOYSA-N 1 0 381.483 3.650 20 30 GHEDRO Cn1cc(C[NH+]2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1C#N ZINC001207106552 1034094885 /nfs/dbraw/zinc/09/48/85/1034094885.db2.gz NMSBSUUJLKGLML-UHFFFAOYSA-N 1 0 386.540 3.756 20 30 GHEDRO COCCO[C@H]1CCC2(CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c2ccccc21 ZINC001207104934 1034095294 /nfs/dbraw/zinc/09/52/94/1034095294.db2.gz LDWLUJQOWFIEAT-QHCPKHFHSA-N 1 0 393.531 3.928 20 30 GHEDRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3cc(C#N)n(C)c3)CC2)CC1=O ZINC001207106429 1034095511 /nfs/dbraw/zinc/09/55/11/1034095511.db2.gz LENVACTVSVLNPT-UHFFFAOYSA-N 1 0 390.531 3.823 20 30 GHEDRO Cc1cc(Br)cc(CN2CCC[C@@]23CCN(CCCC#N)C3=O)c1 ZINC001276509743 1034103761 /nfs/dbraw/zinc/10/37/61/1034103761.db2.gz JIUWFUHVUHMKME-IBGZPJMESA-N 1 0 390.325 3.628 20 30 GHEDRO C=CCN(CC[NH+]1CCC(c2nc(CCC)no2)CC1)C(=O)OC(C)(C)C ZINC001207203438 1034170819 /nfs/dbraw/zinc/17/08/19/1034170819.db2.gz CWIJUJBKTLWAPK-UHFFFAOYSA-N 1 0 378.517 3.625 20 30 GHEDRO C=CCN(CC[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001207203371 1034170868 /nfs/dbraw/zinc/17/08/68/1034170868.db2.gz ACNRPGMOQNRPRO-KRWDZBQOSA-N 1 0 397.560 3.789 20 30 GHEDRO C=CCN(CC[NH+]1CCC2(CCOC[C@@H]2COCC)CC1)C(=O)OC(C)(C)C ZINC001207201068 1034171206 /nfs/dbraw/zinc/17/12/06/1034171206.db2.gz JQXIBPDQIKNMHS-IBGZPJMESA-N 1 0 396.572 3.565 20 30 GHEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001207243410 1034207108 /nfs/dbraw/zinc/20/71/08/1034207108.db2.gz LULYPSLARNMNJL-MGPUTAFESA-N 1 0 381.907 3.706 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCCc1ccc(C#N)cc1 ZINC001230917910 1034286969 /nfs/dbraw/zinc/28/69/69/1034286969.db2.gz HILMCZAOUSBRCK-HSZRJFAPSA-N 1 0 390.531 3.797 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001230917934 1034287260 /nfs/dbraw/zinc/28/72/60/1034287260.db2.gz RQJLXZPTKBGPMB-NQIIRXRSSA-N 1 0 376.504 3.577 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnc(Br)c(C)c3)CC2)C1=O ZINC001277473653 1034302900 /nfs/dbraw/zinc/30/29/00/1034302900.db2.gz FRGXXUPQHXLTBZ-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001207376750 1034321862 /nfs/dbraw/zinc/32/18/62/1034321862.db2.gz ZVCRBHMIMQTTHN-RBUKOAKNSA-N 1 0 385.508 3.801 20 30 GHEDRO COC(=O)C[C@@H](C#N)c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001230990129 1034327989 /nfs/dbraw/zinc/32/79/89/1034327989.db2.gz CMZOTTJBUJNHGZ-FQEVSTJZSA-N 1 0 378.472 3.900 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)C1 ZINC001158911234 1034333288 /nfs/dbraw/zinc/33/32/88/1034333288.db2.gz MNAZYUVKCKYVDC-IBGZPJMESA-N 1 0 390.487 3.966 20 30 GHEDRO COC(=O)C[C@H](C#N)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001231000293 1034335575 /nfs/dbraw/zinc/33/55/75/1034335575.db2.gz NAKABGWFZQYMLH-OAQYLSRUSA-N 1 0 392.499 3.943 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cc(Cl)ncc3C#N)nc3ccc(C)cc3n12 ZINC001159131834 1034441879 /nfs/dbraw/zinc/44/18/79/1034441879.db2.gz WMUUQFQYHJFXHU-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO COc1ccc(Cn2cc(Nc3sc4c(c3C#N)CC[NH2+]C4)c(C)n2)cc1 ZINC001159160151 1034458333 /nfs/dbraw/zinc/45/83/33/1034458333.db2.gz YXMFVOGXQIFQJV-UHFFFAOYSA-N 1 0 379.489 3.571 20 30 GHEDRO N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001159215227 1034489374 /nfs/dbraw/zinc/48/93/74/1034489374.db2.gz KJHIPNFWRQSBKY-UHFFFAOYSA-N 1 0 391.450 3.895 20 30 GHEDRO C=C(C)C(=O)Nc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001231316412 1034512943 /nfs/dbraw/zinc/51/29/43/1034512943.db2.gz HBGQJRVUALVOHJ-JOCHJYFZSA-N 1 0 380.488 3.871 20 30 GHEDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)c1 ZINC001276550817 1034647733 /nfs/dbraw/zinc/64/77/33/1034647733.db2.gz IDKFNHMOBMLASQ-HXUWFJFHSA-N 1 0 375.900 3.609 20 30 GHEDRO Cc1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(I)c1 ZINC001159535114 1034649243 /nfs/dbraw/zinc/64/92/43/1034649243.db2.gz FBLXNRJAXWIHTI-UHFFFAOYSA-N 1 0 389.240 3.902 20 30 GHEDRO N#CCOc1ccccc1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001159574431 1034673358 /nfs/dbraw/zinc/67/33/58/1034673358.db2.gz RFAGJDZPHFBKRT-UHFFFAOYSA-N 1 0 376.382 3.761 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC001159634836 1034698728 /nfs/dbraw/zinc/69/87/28/1034698728.db2.gz SFTIMCYXFGLDNF-QFBILLFUSA-N 1 0 389.337 3.894 20 30 GHEDRO COc1cc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)ccc1OC(F)(F)F ZINC001159748922 1034732003 /nfs/dbraw/zinc/73/20/03/1034732003.db2.gz PJRDIDYGHICGLZ-UHFFFAOYSA-N 1 0 392.381 3.619 20 30 GHEDRO Cc1nc(C#Cc2ccnc(NCC[C@@H](C)[NH3+])c2)c(C)n1-c1ccc(F)cc1 ZINC001159772810 1034738253 /nfs/dbraw/zinc/73/82/53/1034738253.db2.gz LGQLBRCFIWFDJU-OAHLLOKOSA-N 1 0 377.467 3.572 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(C)s3)C2)C1 ZINC001231619244 1034775710 /nfs/dbraw/zinc/77/57/10/1034775710.db2.gz JJJUOKIJNNACHC-NRFANRHFSA-N 1 0 381.501 3.566 20 30 GHEDRO COc1cc(C#N)ccc1CN1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618537 1034775975 /nfs/dbraw/zinc/77/59/75/1034775975.db2.gz NWGPISQAVVIWNK-VJBMBRPKSA-N 1 0 390.531 3.694 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(c3ccc4oc(C(N)=O)cc4c3)CC2)CC1 ZINC001208178297 1034777776 /nfs/dbraw/zinc/77/77/76/1034777776.db2.gz PWMSVVYAIGSNQV-GOSISDBHSA-N 1 0 379.504 3.956 20 30 GHEDRO COc1cc(C#N)ccc1CN1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001231619845 1034777912 /nfs/dbraw/zinc/77/79/12/1034777912.db2.gz KDKWEMSAZKUIJQ-UHFFFAOYSA-N 1 0 397.276 3.576 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC001231622775 1034780791 /nfs/dbraw/zinc/78/07/91/1034780791.db2.gz IAUVLTKHBLULBC-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3C)CC2)c1 ZINC001231622585 1034781137 /nfs/dbraw/zinc/78/11/37/1034781137.db2.gz ABSRKGWAEGTXCB-JOCHJYFZSA-N 1 0 391.515 3.627 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001208224460 1034813397 /nfs/dbraw/zinc/81/33/97/1034813397.db2.gz YZBMUPMAIHQRNZ-VWNXMTODSA-N 1 0 385.548 3.809 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001208224484 1034813454 /nfs/dbraw/zinc/81/34/54/1034813454.db2.gz ZLRQECBMXOKASR-DEOSSOPVSA-N 1 0 382.548 3.768 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC001208243890 1034832191 /nfs/dbraw/zinc/83/21/91/1034832191.db2.gz PYVQIHAMUXCDNZ-FQEVSTJZSA-N 1 0 398.551 3.717 20 30 GHEDRO N#Cc1cc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)ccc1OC1CCOCC1 ZINC001160141842 1034878714 /nfs/dbraw/zinc/87/87/14/1034878714.db2.gz PAIMSWVPUNPEPL-LJQANCHMSA-N 1 0 397.450 3.739 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1c(C)sc(C)c1C(=O)OC)C(C)C ZINC001208526240 1034924790 /nfs/dbraw/zinc/92/47/90/1034924790.db2.gz CXPPNTIQGHKNDI-INIZCTEOSA-N 1 0 393.553 3.972 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001231816365 1034926553 /nfs/dbraw/zinc/92/65/53/1034926553.db2.gz MLFRKWHKKYLQBG-QFIPXVFZSA-N 1 0 384.524 3.622 20 30 GHEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231819645 1034928222 /nfs/dbraw/zinc/92/82/22/1034928222.db2.gz DUMUPYWSNBWLTQ-FQEVSTJZSA-N 1 0 386.540 3.868 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001231820651 1034929163 /nfs/dbraw/zinc/92/91/63/1034929163.db2.gz RBKQHNFGXJCKGW-PMACEKPBSA-N 1 0 398.551 3.725 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC001208584707 1034941862 /nfs/dbraw/zinc/94/18/62/1034941862.db2.gz OBMFDYQYDSDBGE-OAQYLSRUSA-N 1 0 394.563 3.536 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3F)C2)C1=O ZINC001231856816 1034946094 /nfs/dbraw/zinc/94/60/94/1034946094.db2.gz AAIZPLIDOGDVNR-GOSISDBHSA-N 1 0 388.380 3.984 20 30 GHEDRO CC(C)(C)OC(=O)N1C(C[NH+]2CCC(C#Cc3ccccc3)CC2)=CS[C@H]1N ZINC001208655135 1034969999 /nfs/dbraw/zinc/96/99/99/1034969999.db2.gz KWNREJBRBVGGTK-FQEVSTJZSA-N 1 0 399.560 3.818 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]2c2ccccc2)C1=O ZINC001231907756 1034983349 /nfs/dbraw/zinc/98/33/49/1034983349.db2.gz RLDHGJPZZHNEGO-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cc1 ZINC001160522635 1034994390 /nfs/dbraw/zinc/99/43/90/1034994390.db2.gz WSCPJGFEEMJAJI-GOSISDBHSA-N 1 0 388.512 3.664 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)cc1Cl ZINC001277596358 1035026369 /nfs/dbraw/zinc/02/63/69/1035026369.db2.gz BAAFFJONWNFDMR-UHFFFAOYSA-N 1 0 381.854 3.681 20 30 GHEDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001160665484 1035028969 /nfs/dbraw/zinc/02/89/69/1035028969.db2.gz LRINUKMWRUDRQA-XLIONFOSSA-N 1 0 389.478 3.873 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](CCCCCOCc3ccccc3)CC2)nc1 ZINC001208812140 1035035105 /nfs/dbraw/zinc/03/51/05/1035035105.db2.gz CAOBNWDLVXOGHA-UHFFFAOYSA-N 1 0 378.520 3.852 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(C(F)(F)F)cnc3Cl)C2)C1=O ZINC001232008510 1035039778 /nfs/dbraw/zinc/03/97/78/1035039778.db2.gz XOAMGBGVNBFVJG-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCCc3ccccc3Br)C2)C1=O ZINC001208841963 1035052680 /nfs/dbraw/zinc/05/26/80/1035052680.db2.gz AKHLJZOZDPVTEM-FQEVSTJZSA-N 1 0 391.353 3.882 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](CCCc4ccc(C#N)cc4)C3)CC2=O)cc1 ZINC001208855708 1035060353 /nfs/dbraw/zinc/06/03/53/1035060353.db2.gz FWNSVASAIUPCPQ-XMMPIXPASA-N 1 0 389.499 3.628 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCCc3cccc(C#N)c3)CC2)cc1 ZINC001208854855 1035060522 /nfs/dbraw/zinc/06/05/22/1035060522.db2.gz XAXTYJRBEVDCNF-UHFFFAOYSA-N 1 0 387.487 3.649 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2c1cnn2CC1CC1 ZINC001208858968 1035062241 /nfs/dbraw/zinc/06/22/41/1035062241.db2.gz KIIBUFIEMHDGJI-OAQYLSRUSA-N 1 0 378.520 3.733 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CCCc1ccc(C(=O)OCC)cc1)C2 ZINC001208866561 1035066386 /nfs/dbraw/zinc/06/63/86/1035066386.db2.gz UBAHJVNERREEPG-XMMPIXPASA-N 1 0 398.547 3.829 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1 ZINC001208923832 1035091235 /nfs/dbraw/zinc/09/12/35/1035091235.db2.gz UALBARNAPGXCBP-JOCHJYFZSA-N 1 0 379.529 3.791 20 30 GHEDRO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001232114729 1035103737 /nfs/dbraw/zinc/10/37/37/1035103737.db2.gz SSSOMDRYMIKEEL-IBGZPJMESA-N 1 0 394.906 3.587 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNc1nc(Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC001160953093 1035104735 /nfs/dbraw/zinc/10/47/35/1035104735.db2.gz QJTLZILSUOFEER-SFHVURJKSA-N 1 0 397.954 3.751 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954590 1035128011 /nfs/dbraw/zinc/12/80/11/1035128011.db2.gz WNISHYBBTHSCMK-JTHBVZDNSA-N 1 0 375.516 3.924 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(NC(C)=O)cc1C)[C@H]2CC ZINC001232184582 1035150977 /nfs/dbraw/zinc/15/09/77/1035150977.db2.gz RXOSSVHRPBJZEJ-GMAHTHKFSA-N 1 0 383.536 3.875 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@H](CC[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001209073143 1035163367 /nfs/dbraw/zinc/16/33/67/1035163367.db2.gz LANBIMVMLCPGCS-NRFANRHFSA-N 1 0 399.535 3.764 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(CCc2ccccc2C(F)(F)F)CC1 ZINC001209281792 1035229735 /nfs/dbraw/zinc/22/97/35/1035229735.db2.gz HWRKANJDKGSUCU-UHFFFAOYSA-N 1 0 381.486 3.540 20 30 GHEDRO C=CCCCCCCC[N@H+]1C[C@@H](NC(=O)c2cnoc2C)[C@H]2OCCC[C@H]2C1 ZINC001209440228 1035274563 /nfs/dbraw/zinc/27/45/63/1035274563.db2.gz AQOSIHWAIXDXJW-TYPHKJRUSA-N 1 0 389.540 3.719 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001461958513 1069914650 /nfs/dbraw/zinc/91/46/50/1069914650.db2.gz BYCVBZVUZTXIPS-FUHWJXTLSA-N 1 0 386.540 3.749 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001209540796 1035308967 /nfs/dbraw/zinc/30/89/67/1035308967.db2.gz OOYIWSYUURJVIZ-UHFFFAOYSA-N 1 0 397.544 3.721 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3nn(C)c4ccccc34)C2)CC1 ZINC001209577825 1035315804 /nfs/dbraw/zinc/31/58/04/1035315804.db2.gz XROCXIAMINUPCJ-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO CCCCOc1ccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)cc1 ZINC001248154049 1035578997 /nfs/dbraw/zinc/57/89/97/1035578997.db2.gz AGOWZOATGISXOV-LJQANCHMSA-N 1 0 376.460 3.900 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)cc1 ZINC001248158900 1035585985 /nfs/dbraw/zinc/58/59/85/1035585985.db2.gz HIBGKAJWLJPYLY-AWEZNQCLSA-N 1 0 398.253 3.899 20 30 GHEDRO COc1ccc2cccc(-c3noc(C[C@@H]([NH3+])Cc4ccccc4C#N)n3)c2c1 ZINC001248180364 1035609112 /nfs/dbraw/zinc/60/91/12/1035609112.db2.gz GCZNYRWSEDMEGW-SFHVURJKSA-N 1 0 384.439 3.883 20 30 GHEDRO Cc1nc2cc(-c3noc(C[C@@H]([NH3+])Cc4ccccc4C#N)n3)ccc2s1 ZINC001248181098 1035609407 /nfs/dbraw/zinc/60/94/07/1035609407.db2.gz PNIAVUMMUMLRBI-INIZCTEOSA-N 1 0 375.457 3.639 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC001248181175 1035609545 /nfs/dbraw/zinc/60/95/45/1035609545.db2.gz ROCUFWSQLARYSX-IBGZPJMESA-N 1 0 397.438 3.908 20 30 GHEDRO COC(=O)C1(c2ccc(-c3ccc(OC4CC[NH2+]CC4)c(C#N)c3)cc2)CC1 ZINC001241872840 1035732003 /nfs/dbraw/zinc/73/20/03/1035732003.db2.gz GYBHYCJCNNYTFA-UHFFFAOYSA-N 1 0 376.456 3.561 20 30 GHEDRO N#Cc1cnc(-c2cnc(N3CC[NH2+]CC3)nc2)c2cc(-c3ccccc3)sc21 ZINC001241894750 1035744758 /nfs/dbraw/zinc/74/47/58/1035744758.db2.gz FQSGUBHPFSYQNO-UHFFFAOYSA-N 1 0 398.495 3.702 20 30 GHEDRO Cc1cccc(C[NH+]2CCN(Cc3cc(C#N)ccc3Br)CC2)c1 ZINC001462016284 1069947528 /nfs/dbraw/zinc/94/75/28/1069947528.db2.gz AOTGCXVQRDWVDE-UHFFFAOYSA-N 1 0 384.321 3.947 20 30 GHEDRO C=CCCCC[N@@H+](C)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC001248676689 1036046441 /nfs/dbraw/zinc/04/64/41/1036046441.db2.gz ZNZOYZCNUFEVNW-UHFFFAOYSA-N 1 0 388.556 3.927 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001248749623 1036106604 /nfs/dbraw/zinc/10/66/04/1036106604.db2.gz FZDDBFCUWUCUPX-QFIPXVFZSA-N 1 0 377.488 3.718 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC[C@@H](C(=O)N3CCCC3)OC2)CC1 ZINC001248750893 1036108868 /nfs/dbraw/zinc/10/88/68/1036108868.db2.gz APFUVARHFVBKSM-QFIPXVFZSA-N 1 0 395.547 3.504 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC001248751538 1036110505 /nfs/dbraw/zinc/11/05/05/1036110505.db2.gz ZLYLPKBFCLWPQU-UHFFFAOYSA-N 1 0 377.463 3.889 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc(C[C@@H]4CC[NH2+]C[C@@H]4F)n3)cc2)cc1 ZINC001248908921 1036235981 /nfs/dbraw/zinc/23/59/81/1036235981.db2.gz WNIDGCHZTQYBDK-LPHOPBHVSA-N 1 0 378.407 3.891 20 30 GHEDRO COCn1cc(-c2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001245218500 1036828128 /nfs/dbraw/zinc/82/81/28/1036828128.db2.gz OQKRYJDZPNQXOU-UHFFFAOYSA-N 1 0 387.487 3.606 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001245906345 1037050479 /nfs/dbraw/zinc/05/04/79/1037050479.db2.gz JKVYWLAQFLPMKO-QFIPXVFZSA-N 1 0 376.529 3.853 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CNC1(C[NH3+])CCC1 ZINC001246009918 1037131866 /nfs/dbraw/zinc/13/18/66/1037131866.db2.gz JOKFBNAHCCOYTD-OAQYLSRUSA-N 1 0 386.621 3.772 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H](C)CC(C)(C)SCc1ccco1 ZINC001246309507 1037288697 /nfs/dbraw/zinc/28/86/97/1037288697.db2.gz CKALFQRDTCFMIU-AEFFLSMTSA-N 1 0 382.570 3.886 20 30 GHEDRO CCCCCCCCCC[NH+]1CC2(CCN2C(=O)Cn2cc(Cl)cn2)C1 ZINC001278441484 1037306144 /nfs/dbraw/zinc/30/61/44/1037306144.db2.gz CEVCJUNLGMOHQI-UHFFFAOYSA-N 1 0 380.964 3.964 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246525770 1037457981 /nfs/dbraw/zinc/45/79/81/1037457981.db2.gz LHJHILNYPVMUMG-FQEVSTJZSA-N 1 0 389.584 3.942 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCN[C@H](c4ccccc4)C3)CC2)C1 ZINC001246527216 1037459797 /nfs/dbraw/zinc/45/97/97/1037459797.db2.gz SROIHFMXSOSIMM-YADHBBJMSA-N 1 0 397.563 3.980 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)c(OC)cc1O)[C@H]2CC ZINC001232268736 1037992401 /nfs/dbraw/zinc/99/24/01/1037992401.db2.gz UKNBMGPJOFZURH-FPOVZHCZSA-N 1 0 392.927 3.976 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(O)c4ncccc34)C2)CC1 ZINC001232272390 1037997580 /nfs/dbraw/zinc/99/75/80/1037997580.db2.gz NHLNSMKUFGPARD-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001232456274 1038241878 /nfs/dbraw/zinc/24/18/78/1038241878.db2.gz CPYULOFBVHBOAW-FXAWDEMLSA-N 1 0 375.900 3.790 20 30 GHEDRO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccn1 ZINC001232482227 1038262367 /nfs/dbraw/zinc/26/23/67/1038262367.db2.gz SUVMPFJATIJKEH-LEWJYISDSA-N 1 0 381.451 3.826 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cncc(Br)c1C)C2 ZINC001232528117 1038293204 /nfs/dbraw/zinc/29/32/04/1038293204.db2.gz KGUYXJPHWYXRNU-RTBURBONSA-N 1 0 395.341 3.726 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cnc(C)c3)c(OC)c1)C2 ZINC001232561174 1038329508 /nfs/dbraw/zinc/32/95/08/1038329508.db2.gz DDODLTFGQKJAOK-NZQKXSOJSA-N 1 0 397.519 3.515 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)CC2 ZINC001232576776 1038344809 /nfs/dbraw/zinc/34/48/09/1038344809.db2.gz LQQYVTHFWVOAQD-NRFANRHFSA-N 1 0 390.911 3.660 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@]3(C(F)(F)F)CC[NH2+]C3)n2)cc1Cl ZINC001247757789 1038364926 /nfs/dbraw/zinc/36/49/26/1038364926.db2.gz AJAGIBFUMYCJFS-CYBMUJFWSA-N 1 0 377.153 3.708 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)cc1Cl)C2 ZINC001232598318 1038375800 /nfs/dbraw/zinc/37/58/00/1038375800.db2.gz VAFDONKXVJWFOP-TZIWHRDSSA-N 1 0 387.911 3.852 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3SC)C2)C1=O ZINC001277689731 1038403123 /nfs/dbraw/zinc/40/31/23/1038403123.db2.gz WNQCGERCDNQQDI-LJQANCHMSA-N 1 0 378.925 3.589 20 30 GHEDRO Cc1ccc2c(c1)[C@H](Cc1nc(-c3ccc(C#N)cn3)no1)CC21CC[NH2+]CC1 ZINC001247832769 1038413424 /nfs/dbraw/zinc/41/34/24/1038413424.db2.gz DAUZUJZVGXZPHQ-QGZVFWFLSA-N 1 0 385.471 3.663 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3cc(Cl)ncc13)CCO2 ZINC001232819556 1038573486 /nfs/dbraw/zinc/57/34/86/1038573486.db2.gz CXGMVHZUJDNOBB-OXQOHEQNSA-N 1 0 375.900 3.790 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)s1 ZINC001232843714 1038594876 /nfs/dbraw/zinc/59/48/76/1038594876.db2.gz VYWMDBFQFNJGRM-UYAOXDASSA-N 1 0 387.480 3.604 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C#N)s3)O2)cs1 ZINC001232843708 1038595217 /nfs/dbraw/zinc/59/52/17/1038595217.db2.gz VXMRDRUXORJOHF-ATZDWAIDSA-N 1 0 389.546 3.723 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232844304 1038596091 /nfs/dbraw/zinc/59/60/91/1038596091.db2.gz YHDMMTPVPDPLFP-INIZCTEOSA-N 1 0 393.553 3.858 20 30 GHEDRO COCCO[C@@H]1CCC2(CC[NH+](Cc3cccc(C#N)n3)CC2)c2ccccc21 ZINC001232923761 1038712567 /nfs/dbraw/zinc/71/25/67/1038712567.db2.gz IDBZTSCTZQHLKK-HSZRJFAPSA-N 1 0 391.515 3.985 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(O)c3F)C[C@@H]2c2ccccc2)C1=O ZINC001233049823 1038805060 /nfs/dbraw/zinc/80/50/60/1038805060.db2.gz DIGHTAXZNXGDEF-XXBNENTESA-N 1 0 380.463 3.535 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3C)[C@@H]3CCCO[C@H]23)cs1 ZINC001233081600 1038851504 /nfs/dbraw/zinc/85/15/04/1038851504.db2.gz IIGMWHVXNXWHMU-NJYVYQBISA-N 1 0 383.517 3.580 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001233083544 1038854730 /nfs/dbraw/zinc/85/47/30/1038854730.db2.gz PHSQHECAQITFQN-INIZCTEOSA-N 1 0 376.382 3.719 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233083237 1038855372 /nfs/dbraw/zinc/85/53/72/1038855372.db2.gz BCTISZPMJQWOGM-HXUWFJFHSA-N 1 0 387.524 3.715 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001252137202 1038887538 /nfs/dbraw/zinc/88/75/38/1038887538.db2.gz WHWWABGDTNBVRC-DXIQSLLYSA-N 1 0 398.588 3.856 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccn2)CC1 ZINC001252139973 1038889611 /nfs/dbraw/zinc/88/96/11/1038889611.db2.gz WBWDZLFNZAOXBJ-UFYCRDLUSA-N 1 0 375.557 3.824 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc2c(C(=O)OCC)ncn21 ZINC001252141249 1038891084 /nfs/dbraw/zinc/89/10/84/1038891084.db2.gz IRCKCVUVXCMMRC-GOSISDBHSA-N 1 0 375.513 3.712 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3[nH]nc4cc(F)ccc43)CC2)C1 ZINC001233121688 1038908304 /nfs/dbraw/zinc/90/83/04/1038908304.db2.gz MVRKUYBEZJDCLY-UHFFFAOYSA-N 1 0 386.471 3.703 20 30 GHEDRO CCC[N@H+](C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)CC ZINC001252311935 1038939559 /nfs/dbraw/zinc/93/95/59/1038939559.db2.gz BMUHLLASGUXGLW-FZKQIMNGSA-N 1 0 385.430 3.777 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCc1ccc(CC#N)cc1 ZINC001252315499 1038940774 /nfs/dbraw/zinc/94/07/74/1038940774.db2.gz PJWNFVSXWIDATJ-HSZRJFAPSA-N 1 0 390.531 3.949 20 30 GHEDRO C[N@H+](CC1CCCCC1)C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252319098 1038941672 /nfs/dbraw/zinc/94/16/72/1038941672.db2.gz AWDHZOSWQTXSCF-IBGZPJMESA-N 1 0 397.441 3.779 20 30 GHEDRO C[C@H]([NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 ZINC001252331566 1038944791 /nfs/dbraw/zinc/94/47/91/1038944791.db2.gz TWXQKBLLELKAHA-GTNSWQLSSA-N 1 0 397.422 3.679 20 30 GHEDRO Cc1cc(F)cc(Cl)c1C[NH+]1CCC2(CCN(CCCC#N)C2=O)CC1 ZINC001277777746 1038968649 /nfs/dbraw/zinc/96/86/49/1038968649.db2.gz HIMXMRITMRNSRG-UHFFFAOYSA-N 1 0 377.891 3.906 20 30 GHEDRO C=C[C@](C)(O)C[N@@H+]1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001252561011 1039033040 /nfs/dbraw/zinc/03/30/40/1039033040.db2.gz XRALKFQKSBQAJN-VWLOTQADSA-N 1 0 394.559 3.737 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001252644361 1039062906 /nfs/dbraw/zinc/06/29/06/1039062906.db2.gz HSSSMXIJSXHNFB-FXAWDEMLSA-N 1 0 378.476 3.764 20 30 GHEDRO COC(=O)/C=C/c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001233300242 1039093610 /nfs/dbraw/zinc/09/36/10/1039093610.db2.gz IJLUBFYTOVCZLJ-KCQSEKJDSA-N 1 0 376.456 3.788 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@H](O)CNC(=[NH2+])c2ccc3ccccc3n2)cc1 ZINC001252769254 1039162055 /nfs/dbraw/zinc/16/20/55/1039162055.db2.gz MHJBMBSRUIJGMI-GOSISDBHSA-N 1 0 377.488 3.678 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001252984205 1039312839 /nfs/dbraw/zinc/31/28/39/1039312839.db2.gz DTHHEWCIHYNYPO-YADHBBJMSA-N 1 0 382.589 3.591 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)CC)CC1 ZINC001252988792 1039316029 /nfs/dbraw/zinc/31/60/29/1039316029.db2.gz JROOXXNDUBCTLK-FQEVSTJZSA-N 1 0 390.634 3.529 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253226449 1039483924 /nfs/dbraw/zinc/48/39/24/1039483924.db2.gz PJCXQXJUMQJYPZ-GBXCKJPGSA-N 1 0 390.483 3.944 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001253243773 1039499996 /nfs/dbraw/zinc/49/99/96/1039499996.db2.gz ZHVCHPXUAJANRN-QFIPXVFZSA-N 1 0 390.568 3.721 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@H](Oc2cnc(F)c(Br)c2)C1 ZINC001233668934 1039524903 /nfs/dbraw/zinc/52/49/03/1039524903.db2.gz BEQDPKDZKHXZKE-AWEZNQCLSA-N 1 0 376.229 3.508 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C[C@@H](O)c3ccc(F)c(F)c3)cc(C#N)c21 ZINC001253378193 1039588959 /nfs/dbraw/zinc/58/89/59/1039588959.db2.gz KNIKMSSGPOQRPK-LRTDBIEQSA-N 1 0 397.425 3.705 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233754838 1039592157 /nfs/dbraw/zinc/59/21/57/1039592157.db2.gz MKAHZUDFNVQJLF-YJBOKZPZSA-N 1 0 387.398 3.617 20 30 GHEDRO CC(C)(C)OC[C@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001253459533 1039651342 /nfs/dbraw/zinc/65/13/42/1039651342.db2.gz JLZOBCYVNGBHOY-JOCHJYFZSA-N 1 0 377.488 3.608 20 30 GHEDRO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253459609 1039652115 /nfs/dbraw/zinc/65/21/15/1039652115.db2.gz LWCIZIRNCSAHND-DHIUTWEWSA-N 1 0 392.543 3.994 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21 ZINC001253599935 1039716553 /nfs/dbraw/zinc/71/65/53/1039716553.db2.gz UPROCDHWXBKKRT-VQIMIIECSA-N 1 0 390.499 3.676 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1cncnc1 ZINC001253613528 1039721708 /nfs/dbraw/zinc/72/17/08/1039721708.db2.gz BQVLMHUTCDNCJH-QFIPXVFZSA-N 1 0 395.588 3.881 20 30 GHEDRO C[C@@H](C#N)CNC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001233951867 1039723312 /nfs/dbraw/zinc/72/33/12/1039723312.db2.gz GTBHURXNSVANLO-AVCGJXAMSA-N 1 0 376.504 3.504 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1ccnnc1 ZINC001253615081 1039724222 /nfs/dbraw/zinc/72/42/22/1039724222.db2.gz ZWZRKTISNWDZBI-QFIPXVFZSA-N 1 0 395.588 3.881 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001253614649 1039725268 /nfs/dbraw/zinc/72/52/68/1039725268.db2.gz SDVFCMIVYWJBIH-RJGXRXQPSA-N 1 0 398.632 3.690 20 30 GHEDRO CN1[C@@H]2C[C@@H](Oc3cc(Br)c(Cl)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234108941 1039851401 /nfs/dbraw/zinc/85/14/01/1039851401.db2.gz KISIZQSUJSQQGR-PUNAFYOISA-N 1 0 379.081 3.747 20 30 GHEDRO CC[N@@H+]1CC[C@H](Oc2cc(OC)cc3c2C(=O)/C(=C/c2ccc(O)cc2)CO3)C1 ZINC001234175800 1039909910 /nfs/dbraw/zinc/90/99/10/1039909910.db2.gz MAZWMROHBVBQGI-BXBHGGAKSA-N 1 0 395.455 3.533 20 30 GHEDRO COc1cc(OC2CC[NH+](C)CC2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001234176821 1039910767 /nfs/dbraw/zinc/91/07/67/1039910767.db2.gz ZBBMLXNJFSKVPT-LFIBNONCSA-N 1 0 395.455 3.533 20 30 GHEDRO C#CC[N@@H+](C[C@H](O)COc1ccccc1OC(C)C)[C@@H]1CCc2ccccc21 ZINC001254004944 1039947174 /nfs/dbraw/zinc/94/71/74/1039947174.db2.gz YOOWIQUDOVTIBK-RBBKRZOGSA-N 1 0 379.500 3.836 20 30 GHEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccnc(Br)c2C#N)C1 ZINC001234426965 1040026018 /nfs/dbraw/zinc/02/60/18/1040026018.db2.gz MQGCSOYBHQIQJK-UONOGXRCSA-N 1 0 387.281 3.715 20 30 GHEDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(C#N)c(Br)c3)C2)C1=O ZINC001277867864 1040153768 /nfs/dbraw/zinc/15/37/68/1040153768.db2.gz QQTWORIHZRHYCF-KUHUBIRLSA-N 1 0 390.325 3.544 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](C3CCC(C#N)(c4ccc(F)cc4)CC3)C[C@H]21 ZINC001254354635 1040186618 /nfs/dbraw/zinc/18/66/18/1040186618.db2.gz VBJSHVVKGXBTHO-RGKVJVKCSA-N 1 0 399.510 3.985 20 30 GHEDRO Cc1ccnc(O[C@@H]2CC[N@@H+](C3CCC(C#N)(c4ccc(F)cc4)CC3)C2)n1 ZINC001254358904 1040191566 /nfs/dbraw/zinc/19/15/66/1040191566.db2.gz BWSTUFLRANTPGZ-SNCIUUNGSA-N 1 0 380.467 3.781 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001234714691 1040245419 /nfs/dbraw/zinc/24/54/19/1040245419.db2.gz MWHBPJMNYZIINV-GANRHZMWSA-N 1 0 395.455 3.620 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2CC ZINC001254562205 1040334570 /nfs/dbraw/zinc/33/45/70/1040334570.db2.gz PIGXOQVOMXBTNV-AGHHOFFYSA-N 1 0 385.508 3.947 20 30 GHEDRO 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BYQWWOSBNPLDSY-UHFFFAOYSA-N 1 0 396.362 3.596 20 30 GHEDRO N#Cc1cc(CN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1Br ZINC001235354780 1040832546 /nfs/dbraw/zinc/83/25/46/1040832546.db2.gz HQPPTFNEEDTOMC-TZIWHRDSSA-N 1 0 396.332 3.900 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)cc(C)cc3Br)C2)C1=O ZINC001235456198 1040946312 /nfs/dbraw/zinc/94/63/12/1040946312.db2.gz SNDPSPZGVPWQQB-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001235512697 1040969800 /nfs/dbraw/zinc/96/98/00/1040969800.db2.gz CITKUBZPWKVSMW-BJKOFHAPSA-N 1 0 391.515 3.736 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccccc3CC#N)C[C@@H]2c2ccccc2)C1=O ZINC001235513739 1040970282 /nfs/dbraw/zinc/97/02/82/1040970282.db2.gz KRFWMLZIIVVZQG-NOZRDPDXSA-N 1 0 385.511 3.757 20 30 GHEDRO COC1CCC([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)CC1 ZINC001255451429 1041056477 /nfs/dbraw/zinc/05/64/77/1041056477.db2.gz OMOMEPMASRPQEN-UHFFFAOYSA-N 1 0 388.511 3.870 20 30 GHEDRO 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ZINC001256273006 1041681179 /nfs/dbraw/zinc/68/11/79/1041681179.db2.gz FTIKVPUDUXBXFK-RTBURBONSA-N 1 0 388.508 3.616 20 30 GHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1ccc(C[NH2+]CC(C)C)cc1 ZINC001236428276 1041707976 /nfs/dbraw/zinc/70/79/76/1041707976.db2.gz OKNSNZXOQJGKOO-GOSISDBHSA-N 1 0 388.471 3.823 20 30 GHEDRO COc1ccc(CN(Cc2c[nH]c3ccc(C#N)cc23)C2CC[NH2+]CC2)cc1F ZINC001236515684 1041748912 /nfs/dbraw/zinc/74/89/12/1041748912.db2.gz LKSKJNUTVLYTRR-UHFFFAOYSA-N 1 0 392.478 3.941 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)cc3c1OCCC3)C2 ZINC001236616693 1041783958 /nfs/dbraw/zinc/78/39/58/1041783958.db2.gz RBJPQHMHGYNNNQ-RBBKRZOGSA-N 1 0 375.484 3.724 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)c(N4CCOCC4)c3)C2)cc1 ZINC001236971027 1041972756 /nfs/dbraw/zinc/97/27/56/1041972756.db2.gz XIOWJEFZAJLWIE-OAQYLSRUSA-N 1 0 395.478 3.577 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccnc3c(OC)cccc13)C2 ZINC001237107348 1042041549 /nfs/dbraw/zinc/04/15/49/1042041549.db2.gz BMUDUSUJZNFPFS-FYYLOGMGSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(C(F)F)c(OC)c3)C2)CC1 ZINC001237276068 1042119502 /nfs/dbraw/zinc/11/95/02/1042119502.db2.gz JJMKSSYJUCYPRQ-UHFFFAOYSA-N 1 0 380.435 3.853 20 30 GHEDRO N#Cc1ccc(Br)c(CN2Cc3ccccc3C23CC[NH2+]CC3)c1 ZINC001237310933 1042139837 /nfs/dbraw/zinc/13/98/37/1042139837.db2.gz MGEFMCBKWPUQNY-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)ccn1 ZINC001237462654 1042218963 /nfs/dbraw/zinc/21/89/63/1042218963.db2.gz HWILGOILRLWLQR-UHFFFAOYSA-N 1 0 386.499 3.634 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cn(C)c4ccc(C#N)cc34)C2)C1 ZINC001237467505 1042220508 /nfs/dbraw/zinc/22/05/08/1042220508.db2.gz WLSQCLCVFVJOOO-HSZRJFAPSA-N 1 0 392.503 3.660 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)c2cc(C#N)ccc21 ZINC001237467406 1042220531 /nfs/dbraw/zinc/22/05/31/1042220531.db2.gz QTVIEKCDHKTESL-JOCHJYFZSA-N 1 0 398.510 3.688 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237468811 1042221086 /nfs/dbraw/zinc/22/10/86/1042221086.db2.gz QAYXFVNIKMBCAT-YLJYHZDGSA-N 1 0 394.519 3.881 20 30 GHEDRO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237471711 1042222870 /nfs/dbraw/zinc/22/28/70/1042222870.db2.gz YNBVISCDOPLPNI-QGZVFWFLSA-N 1 0 382.508 3.739 20 30 GHEDRO Cn1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c2cc(C#N)ccc21 ZINC001237473030 1042223801 /nfs/dbraw/zinc/22/38/01/1042223801.db2.gz QVPMZDVBIGIOLB-SFHVURJKSA-N 1 0 382.508 3.881 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cc(C#N)c(F)cc3F)CC2)C1=O ZINC001237526854 1042251036 /nfs/dbraw/zinc/25/10/36/1042251036.db2.gz PDGKXJOUIFZKAJ-IBGZPJMESA-N 1 0 395.453 3.674 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3cc(C#N)c(F)cc3F)C2)C1 ZINC001237528069 1042252517 /nfs/dbraw/zinc/25/25/17/1042252517.db2.gz PYTVHSBYRKLTLX-ZDUSSCGKSA-N 1 0 377.435 3.525 20 30 GHEDRO CN1CC[C@@]2(C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001237750350 1042352778 /nfs/dbraw/zinc/35/27/78/1042352778.db2.gz IIKHPRUEYAHGGL-IRLDBZIGSA-N 1 0 379.891 3.660 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC001237751675 1042353493 /nfs/dbraw/zinc/35/34/93/1042353493.db2.gz YZESSSBUABFQCH-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]2C1 ZINC001237751711 1042353630 /nfs/dbraw/zinc/35/36/30/1042353630.db2.gz PCWXJDXUZQEMLY-IRXDYDNUSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c(Cl)c1 ZINC001238082906 1042485837 /nfs/dbraw/zinc/48/58/37/1042485837.db2.gz MVHUNCUPLBXAOP-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c(Cl)c1 ZINC001238084894 1042486613 /nfs/dbraw/zinc/48/66/13/1042486613.db2.gz WUZSZZWUSPZTHY-CEWLAPEOSA-N 1 0 383.879 3.808 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(Cl)c(C#N)c4)C3)CC2=O)cc1 ZINC001238191686 1042514820 /nfs/dbraw/zinc/51/48/20/1042514820.db2.gz LDMGZUQBRYIKGY-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NC[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001238293279 1042544242 /nfs/dbraw/zinc/54/42/42/1042544242.db2.gz SDLYIKZNFVIWMN-IBGZPJMESA-N 1 0 388.618 3.738 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc1C#N ZINC001238772957 1042722158 /nfs/dbraw/zinc/72/21/58/1042722158.db2.gz SSCFBTDPXBKYOR-INIZCTEOSA-N 1 0 376.382 3.583 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)ccc1C#N ZINC001238776984 1042723923 /nfs/dbraw/zinc/72/39/23/1042723923.db2.gz YCKAJBJIHRNCMD-RPBOFIJWSA-N 1 0 387.527 3.885 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NC1(Cc2cccnc2)CC[NH2+]CC1 ZINC001238845647 1042741383 /nfs/dbraw/zinc/74/13/83/1042741383.db2.gz JXQKUXGQXJKPMJ-UHFFFAOYSA-N 1 0 395.613 3.806 20 30 GHEDRO O=C(NC[C@H]1CC[NH2+]C[C@@H]1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239226242 1042790464 /nfs/dbraw/zinc/79/04/64/1042790464.db2.gz AAAZHTJAKWUBNB-PELKAZGASA-N 1 0 387.299 3.793 20 30 GHEDRO N#Cc1ccc(/C=C/c2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)cc1 ZINC001239297321 1042804357 /nfs/dbraw/zinc/80/43/57/1042804357.db2.gz PKMXCJHXRQAENX-VMPITWQZSA-N 1 0 386.499 3.824 20 30 GHEDRO CCCCCCCCOC(=O)Nc1cc2c(cc1OC)[C@]1(CC[NH2+]C1)C(=O)N2 ZINC001239315924 1042807989 /nfs/dbraw/zinc/80/79/89/1042807989.db2.gz HWSLCCHIKZYNSM-OAQYLSRUSA-N 1 0 389.496 3.787 20 30 GHEDRO Cc1ccc2c(c1)C1(C[C@@H]2NC(=S)Nc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001239364113 1042813753 /nfs/dbraw/zinc/81/37/53/1042813753.db2.gz UAFPACRXMBPIGM-FQEVSTJZSA-N 1 0 376.529 3.919 20 30 GHEDRO [NH3+][C@H]1C[C@H](F)CN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001239417014 1042824153 /nfs/dbraw/zinc/82/41/53/1042824153.db2.gz WLOIUWNZDMEGBH-UWVGGRQHSA-N 1 0 389.340 3.792 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001239435765 1042829230 /nfs/dbraw/zinc/82/92/30/1042829230.db2.gz ZQNNWNXSZWOYGG-SIKLNZKXSA-N 1 0 376.529 3.508 20 30 GHEDRO N#Cc1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001239895952 1042857322 /nfs/dbraw/zinc/85/73/22/1042857322.db2.gz OUFQIJMKVKHLKO-UHFFFAOYSA-N 1 0 375.472 3.592 20 30 GHEDRO CCOC(=O)c1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cnc1C(F)(F)F ZINC001240356144 1042923100 /nfs/dbraw/zinc/92/31/00/1042923100.db2.gz NWXNUPUBARMTNT-UHFFFAOYSA-N 1 0 375.350 3.503 20 30 GHEDRO CN1CC[NH+](Cc2ccc(-c3ncc(C#N)c4oc(C(C)(C)C)nc43)cc2)CC1 ZINC001240396791 1042926114 /nfs/dbraw/zinc/92/61/14/1042926114.db2.gz ZWZADWVULMMDPD-UHFFFAOYSA-N 1 0 389.503 3.806 20 30 GHEDRO N#Cc1cc(-c2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)ccc1Cl ZINC001240403337 1042926512 /nfs/dbraw/zinc/92/65/12/1042926512.db2.gz KKEKAKHUCGMVKU-UHFFFAOYSA-N 1 0 394.906 3.974 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240455089 1042931895 /nfs/dbraw/zinc/93/18/95/1042931895.db2.gz XMFMPNWGQUYUDM-UHFFFAOYSA-N 1 0 380.564 3.915 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC001291071353 1043063577 /nfs/dbraw/zinc/06/35/77/1043063577.db2.gz ZXIHUKALUVNSTN-UWVAXJGDSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291106204 1043081315 /nfs/dbraw/zinc/08/13/15/1043081315.db2.gz TUZBFYREYRETAC-IRXDYDNUSA-N 1 0 378.524 3.536 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C)C(C)C ZINC001291131877 1043098894 /nfs/dbraw/zinc/09/88/94/1043098894.db2.gz LFSQTYXEWPEVNF-SFHVURJKSA-N 1 0 380.540 3.924 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCN(Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256544895 1043501342 /nfs/dbraw/zinc/50/13/42/1043501342.db2.gz PTIGSFYSNZIJGR-IRLDBZIGSA-N 1 0 381.564 3.683 20 30 GHEDRO N#CC1CCC([NH2+]C[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)CC1 ZINC001256959723 1043774739 /nfs/dbraw/zinc/77/47/39/1043774739.db2.gz RKIAMXSZGUPFDB-PREGVCBESA-N 1 0 382.335 3.866 20 30 GHEDRO N#CC1CCC([NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)CC1 ZINC001256964138 1043776088 /nfs/dbraw/zinc/77/60/88/1043776088.db2.gz REQXEYZRYMMFTA-UHFFFAOYSA-N 1 0 378.524 3.591 20 30 GHEDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001257007635 1043796633 /nfs/dbraw/zinc/79/66/33/1043796633.db2.gz BMIVXJOEPCRYDO-KITAHSCOSA-N 1 0 375.516 3.913 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)[C@@H](O)C1 ZINC001257010824 1043798374 /nfs/dbraw/zinc/79/83/74/1043798374.db2.gz JDMQYCXWBBPRIN-VFUGHAIPSA-N 1 0 399.535 3.544 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]CC3CCN(c4ncccn4)CC3)CC2)cc1 ZINC001257014061 1043799180 /nfs/dbraw/zinc/79/91/80/1043799180.db2.gz MSAOCIUHVYOLAR-UHFFFAOYSA-N 1 0 375.520 3.881 20 30 GHEDRO N#Cc1ccc(C2CCC(N3CCn4c(COCC5CC5)nnc4C3)CC2)cc1 ZINC001257018002 1043802738 /nfs/dbraw/zinc/80/27/38/1043802738.db2.gz DDWBWHIENMSVLX-UHFFFAOYSA-N 1 0 391.519 3.618 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1COCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019542 1043802922 /nfs/dbraw/zinc/80/29/22/1043802922.db2.gz PYPJKXSXBQNJNY-CBNMVNINSA-N 1 0 399.535 3.810 20 30 GHEDRO N#Cc1ccc(C2CCC([N@@H+]3C[C@@H]4C[C@H](C(=O)NC5CC5)C[C@@H]4C3)CC2)cc1 ZINC001257019723 1043805028 /nfs/dbraw/zinc/80/50/28/1043805028.db2.gz MQKDZLYPDMUDDJ-ISVUKBKDSA-N 1 0 377.532 3.821 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001292880832 1043928207 /nfs/dbraw/zinc/92/82/07/1043928207.db2.gz LXOOZBDMICQKHE-PZJWPPBQSA-N 1 0 381.907 3.976 20 30 GHEDRO COc1ccc2cc(CC[C@H](C)NC(=[NH2+])c3ccc(C(N)=O)cc3)ccc2c1 ZINC001257276175 1043953414 /nfs/dbraw/zinc/95/34/14/1043953414.db2.gz XOGBSLNJZNYOCD-HNNXBMFYSA-N 1 0 375.472 3.674 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCC(=O)OCCCC)[C@@H]2CC ZINC001257397874 1043984310 /nfs/dbraw/zinc/98/43/10/1043984310.db2.gz WUEZSKDNTQTZPD-KNKQGSTJSA-N 1 0 378.557 3.920 20 30 GHEDRO O=C1C=C2C[N@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)CCC2S1 ZINC001257495217 1044020917 /nfs/dbraw/zinc/02/09/17/1044020917.db2.gz HNOHLKRNIAWXKS-PPSBMQLTSA-N 1 0 377.550 3.753 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H](C)Cc3ccc(Br)cc3)C2)C1=O ZINC001257564609 1044047757 /nfs/dbraw/zinc/04/77/57/1044047757.db2.gz PZDNUBQHHKUQNU-JXFKEZNVSA-N 1 0 391.353 3.881 20 30 GHEDRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001293301936 1044099275 /nfs/dbraw/zinc/09/92/75/1044099275.db2.gz IEAZAGRQFOXTLA-FUHIMQAGSA-N 1 0 392.551 3.924 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001257810714 1044192239 /nfs/dbraw/zinc/19/22/39/1044192239.db2.gz SHIXBRWIPSNTQN-WWMYMODYSA-N 1 0 392.565 3.830 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CN(CC5CC5)C(=O)[C@@H]4COC)CC3)C[C@H](C1)C2 ZINC001257891072 1044247766 /nfs/dbraw/zinc/24/77/66/1044247766.db2.gz DSVBJYZLIFEFLW-PJEZACDQSA-N 1 0 386.580 3.718 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257960287 1044277701 /nfs/dbraw/zinc/27/77/01/1044277701.db2.gz HFYRMZLCUWLSOA-SESVDKBCSA-N 1 0 377.912 3.717 20 30 GHEDRO CCC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001293882984 1044359710 /nfs/dbraw/zinc/35/97/10/1044359710.db2.gz OOXNYHPWYHCEOB-IBGZPJMESA-N 1 0 392.551 3.951 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001258135003 1044419156 /nfs/dbraw/zinc/41/91/56/1044419156.db2.gz DNECUPATVCFURN-DEOSSOPVSA-N 1 0 392.543 3.624 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c(Br)c1 ZINC001279080798 1044456320 /nfs/dbraw/zinc/45/63/20/1044456320.db2.gz ZPRURBKFHZCSAP-ROUUACIJSA-N 1 0 388.309 3.552 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258525382 1044605016 /nfs/dbraw/zinc/60/50/16/1044605016.db2.gz RJIAARUUYBPMCK-PZJWPPBQSA-N 1 0 379.541 3.524 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@@H](C)Cc3cccnc3)c3ccccc32)cc1 ZINC001258620341 1044671998 /nfs/dbraw/zinc/67/19/98/1044671998.db2.gz IWCBOZOESQYSNI-KRWDZBQOSA-N 1 0 399.498 3.825 20 30 GHEDRO C=CCC[C@H](C)[N@H+]1CCc2nc(C(=O)NCc3cccc(OC)c3)sc2CC1 ZINC001258727895 1044734485 /nfs/dbraw/zinc/73/44/85/1044734485.db2.gz JMKNMNYLRLBKNC-INIZCTEOSA-N 1 0 399.560 3.837 20 30 GHEDRO C=CCC[C@H](C)[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC)C2 ZINC001258728586 1044734509 /nfs/dbraw/zinc/73/45/09/1044734509.db2.gz OVPNEQPMVQBOTO-SFHVURJKSA-N 1 0 392.565 3.527 20 30 GHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001295369822 1044990740 /nfs/dbraw/zinc/99/07/40/1044990740.db2.gz KOQVKZZRDAYPPR-JTSKRJEESA-N 1 0 398.530 3.945 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCCC1 ZINC001295682297 1045097500 /nfs/dbraw/zinc/09/75/00/1045097500.db2.gz BNFRKUDLWRZFOI-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1 ZINC001296061135 1045237811 /nfs/dbraw/zinc/23/78/11/1045237811.db2.gz VFERNEYAGHBVSL-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001297372778 1045504572 /nfs/dbraw/zinc/50/45/72/1045504572.db2.gz DUZZCUNUKRFOPM-UHFFFAOYSA-N 1 0 379.504 3.543 20 30 GHEDRO C[NH+](C)C1(Cn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)CCC1 ZINC001298051669 1045687780 /nfs/dbraw/zinc/68/77/80/1045687780.db2.gz ZNDGDVOGIDRNAC-UHFFFAOYSA-N 1 0 384.572 3.625 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C[NH+]1CCCC1)C1CCC1 ZINC001298128116 1045708109 /nfs/dbraw/zinc/70/81/09/1045708109.db2.gz RZMJBTPRQMXHQG-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C(=O)/C=C/c2ccc(F)cc2)CCC1 ZINC001298268754 1045758426 /nfs/dbraw/zinc/75/84/26/1045758426.db2.gz ZBRWKYNLORXEIP-JLHYYAGUSA-N 1 0 380.463 3.579 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1CCC[NH+]1CCCCC1 ZINC001298285110 1045764278 /nfs/dbraw/zinc/76/42/78/1045764278.db2.gz DLPUCYNGCFBBNV-UHFFFAOYSA-N 1 0 392.551 3.615 20 30 GHEDRO N#Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cs1 ZINC001261258510 1045944776 /nfs/dbraw/zinc/94/47/76/1045944776.db2.gz DYRFSOBMTXCCLB-UHFFFAOYSA-N 1 0 389.908 3.546 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC001261658856 1046055873 /nfs/dbraw/zinc/05/58/73/1046055873.db2.gz SBRXOOVNMQEGSL-WOJBJXKFSA-N 1 0 380.467 3.677 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001301077632 1046323404 /nfs/dbraw/zinc/32/34/04/1046323404.db2.gz BGBREBIMXPKGST-SFHVURJKSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CCCOCCn1c(CC)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301258242 1046434612 /nfs/dbraw/zinc/43/46/12/1046434612.db2.gz OCBCCFYUDUXVBZ-FQEVSTJZSA-N 1 0 389.588 3.526 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001301302445 1046465053 /nfs/dbraw/zinc/46/50/53/1046465053.db2.gz DBSHVFBEVWSRQJ-RTBURBONSA-N 1 0 396.583 3.643 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001301329849 1046493328 /nfs/dbraw/zinc/49/33/28/1046493328.db2.gz OYZZQJZTOKGQNE-RTBURBONSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCN(c1nnc(CC(C)C)n1CC[N@@H+]1CCc2sccc2C1)C1CC1 ZINC001301330780 1046494433 /nfs/dbraw/zinc/49/44/33/1046494433.db2.gz WGYMIZMNVQKSQZ-UHFFFAOYSA-N 1 0 385.581 3.751 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC=C(C)C1)C(C)C ZINC001301366369 1046511056 /nfs/dbraw/zinc/51/10/56/1046511056.db2.gz BHNKSIGLJOJGRO-LEWJYISDSA-N 1 0 399.583 3.637 20 30 GHEDRO C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001301530289 1046581830 /nfs/dbraw/zinc/58/18/30/1046581830.db2.gz ROKYRACAHGJMED-OALUTQOASA-N 1 0 397.567 3.934 20 30 GHEDRO C=CCSCCn1c(-c2ccccc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001301604617 1046620212 /nfs/dbraw/zinc/62/02/12/1046620212.db2.gz WTTMAQCLCAFTPL-UHFFFAOYSA-N 1 0 397.592 3.929 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1C1(C#N)CCCC1 ZINC001263300781 1046697830 /nfs/dbraw/zinc/69/78/30/1046697830.db2.gz ZNTHHCOQCOVKET-IBGZPJMESA-N 1 0 382.556 3.502 20 30 GHEDRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)[C@@H](C#N)c2nccn2C)c1 ZINC001263332586 1046718432 /nfs/dbraw/zinc/71/84/32/1046718432.db2.gz SLEYLRIKBYFFOK-XPWALMASSA-N 1 0 398.510 3.821 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCCCC[NH+]1CCCCC1 ZINC001301960366 1046763043 /nfs/dbraw/zinc/76/30/43/1046763043.db2.gz WVQAMXVQHAFIFB-LJQANCHMSA-N 1 0 395.555 3.592 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3c[nH]c4cccc(C#N)c43)cc2)CC1 ZINC001263772917 1047104916 /nfs/dbraw/zinc/10/49/16/1047104916.db2.gz CQASUUHOSBJCIR-UHFFFAOYSA-N 1 0 387.487 3.822 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001302839495 1047133127 /nfs/dbraw/zinc/13/31/27/1047133127.db2.gz CZFISPQALZTOQP-ROUUACIJSA-N 1 0 384.528 3.503 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001302921149 1047190476 /nfs/dbraw/zinc/19/04/76/1047190476.db2.gz WKJAKGXCOMZRQM-DENIHFKCSA-N 1 0 386.588 3.871 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC2)C1 ZINC001303172950 1047304069 /nfs/dbraw/zinc/30/40/69/1047304069.db2.gz NLQCQFNXKYCWIP-HXUWFJFHSA-N 1 0 392.551 3.785 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC001304718666 1047756077 /nfs/dbraw/zinc/75/60/77/1047756077.db2.gz FGPLRJPNLURIKQ-AWEZNQCLSA-N 1 0 390.018 3.931 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001304802411 1047774153 /nfs/dbraw/zinc/77/41/53/1047774153.db2.gz PWXJNDAZPHYQIQ-ROUUACIJSA-N 1 0 392.551 3.748 20 30 GHEDRO C[C@H]1C[C@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001304916967 1047806424 /nfs/dbraw/zinc/80/64/24/1047806424.db2.gz BXRBUYBWQQXUBH-ROUUACIJSA-N 1 0 392.551 3.783 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N[C@H](C)c1ncc[nH]1 ZINC001279832225 1047962750 /nfs/dbraw/zinc/96/27/50/1047962750.db2.gz MFBGMZBKIFQTOR-IAGOWNOFSA-N 1 0 376.570 3.531 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[N@H+]1CC=CCC1 ZINC001305382952 1048005039 /nfs/dbraw/zinc/00/50/39/1048005039.db2.gz WOPHXDLFPRRQHY-SFHVURJKSA-N 1 0 378.524 3.562 20 30 GHEDRO CCCCCCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1scnc1C ZINC001279957442 1048012063 /nfs/dbraw/zinc/01/20/63/1048012063.db2.gz UKTQFNHLRKLYAS-IRXDYDNUSA-N 1 0 380.627 3.945 20 30 GHEDRO CCC(CC)[C@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001305452343 1048064326 /nfs/dbraw/zinc/06/43/26/1048064326.db2.gz XPTUKPFFMKYVFY-RIFZZMRRSA-N 1 0 378.540 3.600 20 30 GHEDRO CC(C)(C)NC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001280076941 1048072546 /nfs/dbraw/zinc/07/25/46/1048072546.db2.gz LBXGDDYBHLPYSS-BFUOFWGJSA-N 1 0 394.972 3.762 20 30 GHEDRO N#CC1(NC(=O)C23CC([NH2+]CCc4ccc(Cl)cc4Cl)(C2)C3)CCC1 ZINC001280102812 1048081544 /nfs/dbraw/zinc/08/15/44/1048081544.db2.gz HWDBCHIZPGPZJN-UHFFFAOYSA-N 1 0 378.303 3.611 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC1CC[NH+](CC)CC1 ZINC001286297860 1048262050 /nfs/dbraw/zinc/26/20/50/1048262050.db2.gz ZRHDWHFNJBDIAL-GOSISDBHSA-N 1 0 397.542 3.588 20 30 GHEDRO C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286316851 1048269459 /nfs/dbraw/zinc/26/94/59/1048269459.db2.gz ZSCQXIWMAHEACF-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO C#CCCCn1c(CC2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286355469 1048285397 /nfs/dbraw/zinc/28/53/97/1048285397.db2.gz PWFNSHWUDGOYIT-UHFFFAOYSA-N 1 0 383.584 3.879 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001286368969 1048293820 /nfs/dbraw/zinc/29/38/20/1048293820.db2.gz XEXHFWRNMKRVHI-OAQYLSRUSA-N 1 0 379.552 3.841 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001286371515 1048295458 /nfs/dbraw/zinc/29/54/58/1048295458.db2.gz UTJSDRYPBMRLCA-QGZVFWFLSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001286428053 1048316815 /nfs/dbraw/zinc/31/68/15/1048316815.db2.gz PBHSGXJWZOKAEA-NRFANRHFSA-N 1 0 397.611 3.984 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001286427346 1048316880 /nfs/dbraw/zinc/31/68/80/1048316880.db2.gz DPRWVMQTXQWSJP-UHFFFAOYSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC[NH+]1CCCC1 ZINC001286436896 1048320854 /nfs/dbraw/zinc/32/08/54/1048320854.db2.gz AHWGGYGNDWRRKZ-UHFFFAOYSA-N 1 0 391.563 3.694 20 30 GHEDRO C#CCN(CC)c1nnc(CC(C)C)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001286448029 1048328081 /nfs/dbraw/zinc/32/80/81/1048328081.db2.gz ZCCNHZFKPPZHAT-SFHVURJKSA-N 1 0 385.581 3.835 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001286519646 1048346295 /nfs/dbraw/zinc/34/62/95/1048346295.db2.gz ZCATWEWNXJEHGS-WNOPAQSVSA-N 1 0 391.563 3.879 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001286547901 1048358834 /nfs/dbraw/zinc/35/88/34/1048358834.db2.gz QOLJFMLQKKCVNX-QUCCMNQESA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286579369 1048372908 /nfs/dbraw/zinc/37/29/08/1048372908.db2.gz NTQUISKAJUSAHH-FQEVSTJZSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286594337 1048380616 /nfs/dbraw/zinc/38/06/16/1048380616.db2.gz MBNXPIGIZZTECQ-UHFFFAOYSA-N 1 0 394.567 3.541 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001286624540 1048394873 /nfs/dbraw/zinc/39/48/73/1048394873.db2.gz JFESCVWPAVXPRT-GOSISDBHSA-N 1 0 398.942 3.737 20 30 GHEDRO C=C1CCN(c2nnc(C3CCC3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001286646278 1048412164 /nfs/dbraw/zinc/41/21/64/1048412164.db2.gz OBQBGZLKGNVUKC-UHFFFAOYSA-N 1 0 395.551 3.691 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001286645932 1048412437 /nfs/dbraw/zinc/41/24/37/1048412437.db2.gz JMFWOGVRCNSGQF-UXHICEINSA-N 1 0 387.572 3.941 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001286670595 1048435811 /nfs/dbraw/zinc/43/58/11/1048435811.db2.gz LFBMZRREFNVAKK-LJQANCHMSA-N 1 0 394.567 3.925 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001286677869 1048440140 /nfs/dbraw/zinc/44/01/40/1048440140.db2.gz LMBKGUMFFKOMET-RTBURBONSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCC[NH+]1CCCCC1 ZINC001286728930 1048485972 /nfs/dbraw/zinc/48/59/72/1048485972.db2.gz IPUKXOMFTJEKBW-UHFFFAOYSA-N 1 0 383.540 3.664 20 30 GHEDRO C=CCN(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001286729759 1048487448 /nfs/dbraw/zinc/48/74/48/1048487448.db2.gz AIXJWWARSGHPGB-NRFANRHFSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCC[C@H]1C ZINC001286752683 1048505253 /nfs/dbraw/zinc/50/52/53/1048505253.db2.gz DMRXXLRJNYDDCT-QGZVFWFLSA-N 1 0 396.495 3.516 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286753273 1048506477 /nfs/dbraw/zinc/50/64/77/1048506477.db2.gz ZRFNDFIRBPDYRC-LJQANCHMSA-N 1 0 390.535 3.727 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001286803525 1048531165 /nfs/dbraw/zinc/53/11/65/1048531165.db2.gz GEISIMHQDZIOCA-SFTDATJTSA-N 1 0 395.551 3.601 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)cn2)c1 ZINC001306509939 1048711684 /nfs/dbraw/zinc/71/16/84/1048711684.db2.gz ROKNZLIFDLONAQ-QGZVFWFLSA-N 1 0 385.427 3.606 20 30 GHEDRO CC(C)Cc1nnc(N(C)[C@H](C)CC#N)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287349679 1048726123 /nfs/dbraw/zinc/72/61/23/1048726123.db2.gz QUIIDCJVVMKHRF-HSALFYBXSA-N 1 0 388.604 3.973 20 30 GHEDRO CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001306693570 1048821318 /nfs/dbraw/zinc/82/13/18/1048821318.db2.gz KOZSUUKGVDWAAC-UHFFFAOYSA-N 1 0 378.524 3.705 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CCC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001306722791 1048849926 /nfs/dbraw/zinc/84/99/26/1048849926.db2.gz LCMGRCNCMZTWKJ-RXVVDRJESA-N 1 0 388.535 3.642 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCC(CC#N)CC1)C(C)C ZINC001287965795 1048957664 /nfs/dbraw/zinc/95/76/64/1048957664.db2.gz RJUPUQIEMIZFQR-UHFFFAOYSA-N 1 0 397.571 3.532 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC001306936212 1048968154 /nfs/dbraw/zinc/96/81/54/1048968154.db2.gz ORPCBCJEQPTBPA-LMMKCTJWSA-N 1 0 377.492 3.982 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](Nc2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC001306968691 1048984733 /nfs/dbraw/zinc/98/47/33/1048984733.db2.gz AASBOPBVKXGEAM-YOEHRIQHSA-N 1 0 380.330 3.870 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC2(C)C)CC1 ZINC001288260885 1049021231 /nfs/dbraw/zinc/02/12/31/1049021231.db2.gz CQEWICLOYPZDMK-IBGZPJMESA-N 1 0 392.551 3.830 20 30 GHEDRO Cc1cc(Nc2cc(C#N)nc(C3CC3)n2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001307096446 1049070964 /nfs/dbraw/zinc/07/09/64/1049070964.db2.gz RKDKEEBHPOMIIP-UHFFFAOYSA-N 1 0 376.508 3.808 20 30 GHEDRO COc1cc(C[N@H+](C[C@@H](O)c2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC001307413268 1049254077 /nfs/dbraw/zinc/25/40/77/1049254077.db2.gz KGKBSGSCIAKTCX-GOSISDBHSA-N 1 0 388.414 3.866 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000752855211 1049301327 /nfs/dbraw/zinc/30/13/27/1049301327.db2.gz KPRYINVDWMWGHK-HXUWFJFHSA-N 1 0 394.906 3.917 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H](O)CCC2(O)CCC2)cc1 ZINC001307534516 1049379155 /nfs/dbraw/zinc/37/91/55/1049379155.db2.gz CTKYPEGDPINABR-QFIPXVFZSA-N 1 0 382.479 3.756 20 30 GHEDRO CCOC(=O)c1sc2ccccc2c1CN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001307600087 1049438969 /nfs/dbraw/zinc/43/89/69/1049438969.db2.gz XVRHKRFTNVXCQE-IAGOWNOFSA-N 1 0 397.544 3.888 20 30 GHEDRO CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC001307658241 1049483710 /nfs/dbraw/zinc/48/37/10/1049483710.db2.gz ZCGAZSOLTZITLF-HXUWFJFHSA-N 1 0 382.895 3.529 20 30 GHEDRO CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001307670100 1049492524 /nfs/dbraw/zinc/49/25/24/1049492524.db2.gz NRQPCBZRUFGVQR-FQEVSTJZSA-N 1 0 396.922 3.747 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccc(I)c(Cl)c1 ZINC001307730187 1049544629 /nfs/dbraw/zinc/54/46/29/1049544629.db2.gz UUDIMGUTVMMAOX-UHFFFAOYSA-N 1 0 392.712 3.884 20 30 GHEDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC001307893623 1049672220 /nfs/dbraw/zinc/67/22/20/1049672220.db2.gz AWUZEAAFXNFMKZ-QRWLVFNGSA-N 1 0 388.556 3.807 20 30 GHEDRO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC001307973012 1049732402 /nfs/dbraw/zinc/73/24/02/1049732402.db2.gz VUXHRYIDJNHBRT-LADGPHEKSA-N 1 0 378.516 3.898 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1Cl ZINC001308024192 1049774807 /nfs/dbraw/zinc/77/48/07/1049774807.db2.gz BEYIIYWKOCOLSP-RLLQIKCJSA-N 1 0 389.927 3.521 20 30 GHEDRO CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001290257299 1049780348 /nfs/dbraw/zinc/78/03/48/1049780348.db2.gz SGMJKRPTXYMQSL-UHFFFAOYSA-N 1 0 390.535 3.849 20 30 GHEDRO C#CCNC(=O)CC[N@@H+](C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC001308044460 1049794611 /nfs/dbraw/zinc/79/46/11/1049794611.db2.gz KFRSJKWPHKBOGW-UHFFFAOYSA-N 1 0 392.833 3.982 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C)cc1 ZINC001308092010 1049839348 /nfs/dbraw/zinc/83/93/48/1049839348.db2.gz DIYZJGCCWYUJAM-UHFFFAOYSA-N 1 0 387.524 3.574 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)COCC1CCCCC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001308093995 1049840926 /nfs/dbraw/zinc/84/09/26/1049840926.db2.gz YYUHGMOTJSXJRH-LECRGTDLSA-N 1 0 377.573 3.881 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CCC(=O)N3CCOc4ccccc43)CC2)cc1 ZINC001308114021 1049859426 /nfs/dbraw/zinc/85/94/26/1049859426.db2.gz KNMMZCPUHVOSGD-UHFFFAOYSA-N 1 0 375.472 3.553 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC001308493287 1049989540 /nfs/dbraw/zinc/98/95/40/1049989540.db2.gz VFLMVEKKOPDVOT-IZAXUBKRSA-N 1 0 380.492 3.674 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC001308664921 1050052288 /nfs/dbraw/zinc/05/22/88/1050052288.db2.gz WJQVQOINDUJXNO-UHFFFAOYSA-N 1 0 391.471 3.755 20 30 GHEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308957785 1050218246 /nfs/dbraw/zinc/21/82/46/1050218246.db2.gz GHXGJZDBGPKQEI-GFCCVEGCSA-N 1 0 377.432 3.897 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC001327907117 1050321207 /nfs/dbraw/zinc/32/12/07/1050321207.db2.gz NOSATMCQXTUSPL-UHFFFAOYSA-N 1 0 396.343 3.731 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3(C4CC4)CCOCC3)sc2C1 ZINC001328613593 1050560142 /nfs/dbraw/zinc/56/01/42/1050560142.db2.gz VKWBYMTUEVIMDN-AWEZNQCLSA-N 1 0 387.549 3.622 20 30 GHEDRO Cc1cc(NC(=O)NC(C)(C)c2cccc(C#N)c2)ccc1N1CC[NH+](C)CC1 ZINC001328627199 1050565502 /nfs/dbraw/zinc/56/55/02/1050565502.db2.gz QVRAQYKRKMSYSE-UHFFFAOYSA-N 1 0 391.519 3.675 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CCOCC1 ZINC001328835605 1050653541 /nfs/dbraw/zinc/65/35/41/1050653541.db2.gz ZCGWFAIAHZYIHS-IAGOWNOFSA-N 1 0 385.533 3.547 20 30 GHEDRO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1 ZINC001329210630 1050748319 /nfs/dbraw/zinc/74/83/19/1050748319.db2.gz TUSBIIUGSSVLCB-SFHVURJKSA-N 1 0 381.545 3.926 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C2)C1 ZINC001310211080 1051225851 /nfs/dbraw/zinc/22/58/51/1051225851.db2.gz NPWFRAFNZFIXQI-QFIPXVFZSA-N 1 0 391.475 3.695 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)[C@H]2C1 ZINC001310362338 1051307444 /nfs/dbraw/zinc/30/74/44/1051307444.db2.gz BIIDHHIUGBJEBK-IEZWGBDMSA-N 1 0 394.450 3.951 20 30 GHEDRO CCC[C@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001310696915 1051536274 /nfs/dbraw/zinc/53/62/74/1051536274.db2.gz WMUUBTOXVRPHNW-KRWDZBQOSA-N 1 0 383.521 3.842 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001310861997 1051661770 /nfs/dbraw/zinc/66/17/70/1051661770.db2.gz AEUKUNMWMQKINN-UHFFFAOYSA-N 1 0 396.329 3.962 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001334751340 1051973434 /nfs/dbraw/zinc/97/34/34/1051973434.db2.gz VUQQJKUKTHSQNO-VYDXJSESSA-N 1 0 390.578 3.782 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2ccc(OC)cc2CC1)C(C)C ZINC001311388995 1052080908 /nfs/dbraw/zinc/08/09/08/1052080908.db2.gz SUNDLIIKYCORJZ-JOCHJYFZSA-N 1 0 385.552 3.504 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC#C[C@@H]1CCCCO1)c1ccccc1Cl ZINC001311568597 1052251603 /nfs/dbraw/zinc/25/16/03/1052251603.db2.gz SBJLHVQZIKRLLF-PXNSSMCTSA-N 1 0 391.943 3.595 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(Oc3ccc(F)cc3)c(C)c2)CC1 ZINC001311741666 1052366967 /nfs/dbraw/zinc/36/69/67/1052366967.db2.gz LVPXZQMNDQYXQT-UHFFFAOYSA-N 1 0 395.478 3.823 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2cccc(C[N@@H+](CC)CCCC)c2)CC1 ZINC001312289727 1052680507 /nfs/dbraw/zinc/68/05/07/1052680507.db2.gz HQEFVYWJWZCJLD-UHFFFAOYSA-N 1 0 387.568 3.921 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCC1 ZINC001312643198 1052822519 /nfs/dbraw/zinc/82/25/19/1052822519.db2.gz NRUABMHRKPPPLL-QFIPXVFZSA-N 1 0 388.515 3.899 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC001312645554 1052823724 /nfs/dbraw/zinc/82/37/24/1052823724.db2.gz JJDLJAMMMJJNAE-UHFFFAOYSA-N 1 0 375.516 3.899 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](CC)CC)CC1 ZINC001312787803 1052870131 /nfs/dbraw/zinc/87/01/31/1052870131.db2.gz UMNAREIZEPGJJG-OAQYLSRUSA-N 1 0 387.568 3.745 20 30 GHEDRO C=C[C@@H](C)ONC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312947931 1052918477 /nfs/dbraw/zinc/91/84/77/1052918477.db2.gz UYAKRAVXAWNNDW-TYCQWZJGSA-N 1 0 383.467 3.599 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001313004198 1052931400 /nfs/dbraw/zinc/93/14/00/1052931400.db2.gz FSHGGTLALPFMED-FCHUYYIVSA-N 1 0 380.536 3.910 20 30 GHEDRO Cc1ccc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001313268450 1053001885 /nfs/dbraw/zinc/00/18/85/1053001885.db2.gz PLOAXOQDFXJHAM-OAQYLSRUSA-N 1 0 376.504 3.530 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC2(C)CC2)C[C@@H]1C ZINC001313867094 1053262384 /nfs/dbraw/zinc/26/23/84/1053262384.db2.gz LDIFOFAHJCHBHO-ZWKOTPCHSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC#N)CCC(C)C ZINC001313902899 1053280917 /nfs/dbraw/zinc/28/09/17/1053280917.db2.gz ODFUTJXQUBQFEU-GOSISDBHSA-N 1 0 383.544 3.524 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC#N)CCC(C)C ZINC001313902902 1053281695 /nfs/dbraw/zinc/28/16/95/1053281695.db2.gz ODFUTJXQUBQFEU-SFHVURJKSA-N 1 0 383.544 3.524 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nnc1C(C#N)(CC)CC ZINC001342664533 1053287845 /nfs/dbraw/zinc/28/78/45/1053287845.db2.gz LDGYPPGBZMQCED-IPMKNSEASA-N 1 0 384.572 3.602 20 30 GHEDRO CC(C)Cn1c(CC(C)(C)C#N)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001342825222 1053375276 /nfs/dbraw/zinc/37/52/76/1053375276.db2.gz XPNJUMTXPIKNQD-FQEVSTJZSA-N 1 0 394.567 3.737 20 30 GHEDRO Cn1ccnc1[C@H](C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]1(C)c1ccccc1 ZINC001342925712 1053440507 /nfs/dbraw/zinc/44/05/07/1053440507.db2.gz VWWGOSXWHZJCQJ-SLSDLSHTSA-N 1 0 398.510 3.686 20 30 GHEDRO CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001343003187 1053491015 /nfs/dbraw/zinc/49/10/15/1053491015.db2.gz XOPRQPRAZWGQNT-FVJLSDCUSA-N 1 0 384.503 3.526 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC001314649397 1053549757 /nfs/dbraw/zinc/54/97/57/1053549757.db2.gz AUDBCPXRUGJPHN-XMSQKQJNSA-N 1 0 398.530 3.612 20 30 GHEDRO C=C(C)Cn1c(Cc2ccnc(C)c2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343508488 1053825807 /nfs/dbraw/zinc/82/58/07/1053825807.db2.gz GDYBQSYZLHCBLY-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N(CCC#N)CC1CC1 ZINC001343540371 1053855769 /nfs/dbraw/zinc/85/57/69/1053855769.db2.gz BOFNAGBVEJSZEV-UHFFFAOYSA-N 1 0 393.539 3.516 20 30 GHEDRO CC(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCN(Cc2ccccc2Cl)CC1 ZINC001343559276 1053879405 /nfs/dbraw/zinc/87/94/05/1053879405.db2.gz SBECLDKWOJOLIR-ROUUACIJSA-N 1 0 398.942 3.537 20 30 GHEDRO N#CC1CCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCCC2)CC1 ZINC001316534902 1054218098 /nfs/dbraw/zinc/21/80/98/1054218098.db2.gz SMVVDYGKAJGSJG-UHFFFAOYSA-N 1 0 398.942 3.824 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001318455072 1054651645 /nfs/dbraw/zinc/65/16/45/1054651645.db2.gz XOXCBRCGJSJTBJ-QZTJIDSGSA-N 1 0 383.521 3.600 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc(CC#N)cc2)CCCC1)c1ccccc1 ZINC001318951292 1054961359 /nfs/dbraw/zinc/96/13/59/1054961359.db2.gz MNQMUHRKHFOBPC-SFHVURJKSA-N 1 0 397.544 3.695 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC#N)c2)cc1Cn1cccn1 ZINC001319896374 1055528014 /nfs/dbraw/zinc/52/80/14/1055528014.db2.gz PIUBBOFOGZTGHD-KRWDZBQOSA-N 1 0 376.460 3.693 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C1 ZINC001320038284 1055614291 /nfs/dbraw/zinc/61/42/91/1055614291.db2.gz OVPPEFBEMDSASH-WMTXJRDZSA-N 1 0 381.516 3.739 20 30 GHEDRO CCCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC001354348119 1056549380 /nfs/dbraw/zinc/54/93/80/1056549380.db2.gz XQYJMKNCEBSAHZ-UHFFFAOYSA-N 1 0 395.503 3.560 20 30 GHEDRO CCSc1ccccc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001354356122 1056555579 /nfs/dbraw/zinc/55/55/79/1056555579.db2.gz FOVQXJKWGLWVPX-UHFFFAOYSA-N 1 0 381.545 3.803 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300617247 1056676266 /nfs/dbraw/zinc/67/62/66/1056676266.db2.gz WFMSJPVZZNSGOP-FQEVSTJZSA-N 1 0 379.552 3.978 20 30 GHEDRO C#CCN(CC)c1nnc(CCc2ccccc2)n1CC1([NH+](C)C)CCCCC1 ZINC001300634326 1056735757 /nfs/dbraw/zinc/73/57/57/1056735757.db2.gz YZVYZWFBGLKGOE-UHFFFAOYSA-N 1 0 393.579 3.787 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300642893 1056754015 /nfs/dbraw/zinc/75/40/15/1056754015.db2.gz WVVICWLBDZXJHL-FQEVSTJZSA-N 1 0 397.542 3.695 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001323567181 1056986876 /nfs/dbraw/zinc/98/68/76/1056986876.db2.gz NHAJHWXYHSJQBY-UTKZUKDTSA-N 1 0 378.476 3.621 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC001354931308 1056987107 /nfs/dbraw/zinc/98/71/07/1056987107.db2.gz JEVQFECARHMXFS-MRXNPFEDSA-N 1 0 383.458 3.860 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2ccc(OCC#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001324875718 1057240046 /nfs/dbraw/zinc/24/00/46/1057240046.db2.gz ZQPFSBZVWYJHNR-GOSISDBHSA-N 1 0 378.476 3.575 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325029422 1057267063 /nfs/dbraw/zinc/26/70/63/1057267063.db2.gz SRZVFBLFJNLIRM-IEBWSBKVSA-N 1 0 378.476 3.621 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@@H]2C1 ZINC001356063574 1057374162 /nfs/dbraw/zinc/37/41/62/1057374162.db2.gz VQIGUEDVKQTNIS-IJEWVQPXSA-N 1 0 391.313 3.515 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(NC(C)(C)C)=[NH+]C[C@H]1CCCCO1 ZINC001356509450 1057532765 /nfs/dbraw/zinc/53/27/65/1057532765.db2.gz RRSOCLLJHIXTIK-HXUWFJFHSA-N 1 0 397.567 3.892 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001356578334 1057555807 /nfs/dbraw/zinc/55/58/07/1057555807.db2.gz MMZOJZLWKMOUGE-NHCUHLMSSA-N 1 0 396.583 3.820 20 30 GHEDRO Cc1cc(C)n(-c2ccc(CCNC(=[NH+]Cc3ccccc3)N(C)C)cc2)n1 ZINC000849059934 1057570078 /nfs/dbraw/zinc/57/00/78/1057570078.db2.gz XOTIOAWDMUETQI-UHFFFAOYSA-N 1 0 375.520 3.739 20 30 GHEDRO c1ccc(NC(=[NH+]Cc2ccc(N3CCOCC3)cc2)N2CCCCC2)cc1 ZINC000849069449 1057580053 /nfs/dbraw/zinc/58/00/53/1057580053.db2.gz KYHRAXWBGJFWGJ-UHFFFAOYSA-N 1 0 378.520 3.977 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000849077072 1057583777 /nfs/dbraw/zinc/58/37/77/1057583777.db2.gz KWICLOFFGWPVLX-UHFFFAOYSA-N 1 0 390.443 3.962 20 30 GHEDRO CN(C)C(NCc1ccccc1)=[NH+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000849094111 1057591749 /nfs/dbraw/zinc/59/17/49/1057591749.db2.gz BSZQLMAAHWUDFR-UHFFFAOYSA-N 1 0 386.540 3.651 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001357199445 1057632868 /nfs/dbraw/zinc/63/28/68/1057632868.db2.gz AYRUEZUEKQNZEN-JOCHJYFZSA-N 1 0 383.536 3.686 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)c(C)n3)cc2Cl)CC1 ZINC001337756466 1058250284 /nfs/dbraw/zinc/25/02/84/1058250284.db2.gz GPFOFAPZJLNXAX-UHFFFAOYSA-N 1 0 397.910 3.699 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001440047017 1058399968 /nfs/dbraw/zinc/39/99/68/1058399968.db2.gz NJFZWHKRHCZKTD-HSALFYBXSA-N 1 0 377.463 3.728 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001338693848 1058734118 /nfs/dbraw/zinc/73/41/18/1058734118.db2.gz QLTRCGYYUWRHOP-RLLQIKCJSA-N 1 0 385.556 3.549 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001338790268 1058786155 /nfs/dbraw/zinc/78/61/55/1058786155.db2.gz CLVPXHSNEUQLFH-KRWDZBQOSA-N 1 0 398.555 3.908 20 30 GHEDRO CN(c1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001441921407 1058888123 /nfs/dbraw/zinc/88/81/23/1058888123.db2.gz ZJCKKUUWZVKHLP-HXUWFJFHSA-N 1 0 390.531 3.928 20 30 GHEDRO CC(C)(C)[NH+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC001339126311 1058970834 /nfs/dbraw/zinc/97/08/34/1058970834.db2.gz MTPHLPCMJXTLFS-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCn1c(N2CCC([NH2+]C(C)C)CC2)nnc1[C@]12CCOC1=CCCCC2 ZINC001339193893 1059002702 /nfs/dbraw/zinc/00/27/02/1059002702.db2.gz NYNYXHRQWARTTE-JOCHJYFZSA-N 1 0 385.556 3.547 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001339232248 1059027236 /nfs/dbraw/zinc/02/72/36/1059027236.db2.gz AHEHEAHLCKCADP-KRWDZBQOSA-N 1 0 392.507 3.528 20 30 GHEDRO CCn1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nnc1C(C)(C)C#N ZINC001339382367 1059159313 /nfs/dbraw/zinc/15/93/13/1059159313.db2.gz LYFMZHQPMYLJPZ-WOJBJXKFSA-N 1 0 392.551 3.590 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001545963292 1059238455 /nfs/dbraw/zinc/23/84/55/1059238455.db2.gz TXDCBRBXQWJIAV-LJQANCHMSA-N 1 0 396.539 3.851 20 30 GHEDRO CCN(c1nnc([C@@H]2C[C@@H]2C#N)n1CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001339625262 1059354283 /nfs/dbraw/zinc/35/42/83/1059354283.db2.gz WFJCJYNHXDCNCI-MTFMMBMASA-N 1 0 378.524 3.587 20 30 GHEDRO C[NH+](C)CCSc1nc(CC(=O)N[C@H](CCC#N)c2ccccc2)cs1 ZINC001446489290 1059781261 /nfs/dbraw/zinc/78/12/61/1059781261.db2.gz DSNBDQJALNAHEM-QGZVFWFLSA-N 1 0 388.562 3.501 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001340331428 1059863240 /nfs/dbraw/zinc/86/32/40/1059863240.db2.gz LLCZEHBKWURXQS-IBGZPJMESA-N 1 0 394.567 3.663 20 30 GHEDRO C=C[C@@H](C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC001446963433 1059908493 /nfs/dbraw/zinc/90/84/93/1059908493.db2.gz UROJTUCMDYWOIW-HSZRJFAPSA-N 1 0 378.516 3.790 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001341668179 1060799346 /nfs/dbraw/zinc/79/93/46/1060799346.db2.gz IYHMRUJEKAQCRM-KVMCETHSSA-N 1 0 391.510 3.505 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)[C@H](C)C1 ZINC001341882506 1060935063 /nfs/dbraw/zinc/93/50/63/1060935063.db2.gz PMGYOYVCWSTANU-ZVDOUQERSA-N 1 0 394.567 3.900 20 30 GHEDRO C=C(C)Cn1c(-c2cocn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001342105144 1061059211 /nfs/dbraw/zinc/05/92/11/1061059211.db2.gz ZCQVXDQZWIJHHC-GOSISDBHSA-N 1 0 384.528 3.602 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001342224752 1061152724 /nfs/dbraw/zinc/15/27/24/1061152724.db2.gz JMTPUJPIICKGPW-RTBURBONSA-N 1 0 394.567 3.712 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001342258677 1061180772 /nfs/dbraw/zinc/18/07/72/1061180772.db2.gz DRKNITKHAQQAOA-YLJYHZDGSA-N 1 0 378.524 3.732 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001346002558 1061278384 /nfs/dbraw/zinc/27/83/84/1061278384.db2.gz NDHOOGGEVJYXNE-CVDCTZTESA-N 1 0 392.551 3.574 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001346295731 1061503753 /nfs/dbraw/zinc/50/37/53/1061503753.db2.gz OYBCXCPKBOJPSY-HXUWFJFHSA-N 1 0 384.572 3.793 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001346496851 1061612477 /nfs/dbraw/zinc/61/24/77/1061612477.db2.gz XPWIKCFDKZUDAI-RTBURBONSA-N 1 0 382.556 3.569 20 30 GHEDRO Cc1ccc([C@H](Cn2c(C3CC3)nnc2N2CCC(C)(C#N)CC2)[NH+](C)C)cc1 ZINC001361139828 1061657806 /nfs/dbraw/zinc/65/78/06/1061657806.db2.gz QEBNKWCVSBFQLW-FQEVSTJZSA-N 1 0 392.551 3.897 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC001454541897 1061824818 /nfs/dbraw/zinc/82/48/18/1061824818.db2.gz QCFFCPRDEHJTBX-SFHVURJKSA-N 1 0 375.394 3.539 20 30 GHEDRO CCc1ccc(C#CC(=O)N(Cc2ccc(O)cc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001545879795 1062058687 /nfs/dbraw/zinc/05/86/87/1062058687.db2.gz GQAIUEWVBMTVQR-QHCPKHFHSA-N 1 0 390.527 3.819 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(c2nnc([C@@H](C)CCC#N)n2CC2CC2)CC1 ZINC001348122538 1062928563 /nfs/dbraw/zinc/92/85/63/1062928563.db2.gz YGECDEKWNXPJFB-SFHVURJKSA-N 1 0 384.572 3.940 20 30 GHEDRO C#CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1nccs1 ZINC001457336219 1063097147 /nfs/dbraw/zinc/09/71/47/1063097147.db2.gz SGTVWKBVNIPHJQ-UHFFFAOYSA-N 1 0 392.528 3.531 20 30 GHEDRO C=CCOc1cccnc1C(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001458037511 1063519007 /nfs/dbraw/zinc/51/90/07/1063519007.db2.gz XHGOMJBCAJYGPV-UHFFFAOYSA-N 1 0 387.483 3.755 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3cc(C)cc(F)c3C#N)CC2)cc1 ZINC001458066242 1063540501 /nfs/dbraw/zinc/54/05/01/1063540501.db2.gz BZDROLGOTMWNLD-UHFFFAOYSA-N 1 0 382.483 3.639 20 30 GHEDRO C[N@@H+](Cc1ccc(OC(F)F)cc1OC(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC001349564134 1063792415 /nfs/dbraw/zinc/79/24/15/1063792415.db2.gz LNCOFXUVAHDZDY-INIZCTEOSA-N 1 0 398.356 3.926 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc(C(F)(F)F)cc(C#N)n2)cc1 ZINC001458497339 1063848021 /nfs/dbraw/zinc/84/80/21/1063848021.db2.gz PBBGZLAVAFBZNN-MRXNPFEDSA-N 1 0 376.382 3.667 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2ncc(C#N)cc2Br)CC1 ZINC001458560751 1063892864 /nfs/dbraw/zinc/89/28/64/1063892864.db2.gz HJWURRIXLPNWGN-UHFFFAOYSA-N 1 0 377.330 3.951 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001459453284 1064102230 /nfs/dbraw/zinc/10/22/30/1064102230.db2.gz UPEHBHNOSKDOIG-IBGZPJMESA-N 1 0 379.287 3.783 20 30 GHEDRO OCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC001459562026 1064128493 /nfs/dbraw/zinc/12/84/93/1064128493.db2.gz RIUABIGLJMWBOX-HXUWFJFHSA-N 1 0 375.390 3.919 20 30 GHEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459987775 1064323627 /nfs/dbraw/zinc/32/36/27/1064323627.db2.gz IYRBDYHJEXRRKV-QAPCUYQASA-N 1 0 380.454 3.978 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC001463564250 1064464085 /nfs/dbraw/zinc/46/40/85/1064464085.db2.gz JYBNZLUNPDMXPU-JTHBVZDNSA-N 1 0 391.515 3.721 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@H](CC#N)c2ccccc2)[NH+]2CCCC2)cc1 ZINC001463568484 1064466998 /nfs/dbraw/zinc/46/69/98/1064466998.db2.gz ULLREJKJDVBRNI-YADHBBJMSA-N 1 0 377.488 3.646 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@H](COCC)C1 ZINC001351534873 1064504654 /nfs/dbraw/zinc/50/46/54/1064504654.db2.gz OIZDGFLVFYENHB-QUCCMNQESA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(CC(F)F)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001351704699 1064569922 /nfs/dbraw/zinc/56/99/22/1064569922.db2.gz MZWCQVRXFWKOGW-UHFFFAOYSA-N 1 0 389.494 3.620 20 30 GHEDRO C=CCn1c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nnc1C(C)(C)CC#N ZINC001351839781 1064635344 /nfs/dbraw/zinc/63/53/44/1064635344.db2.gz IUKISTCKLLHCHZ-IBGZPJMESA-N 1 0 384.572 3.604 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)c1ccccc1Cl ZINC001463915504 1064715688 /nfs/dbraw/zinc/71/56/88/1064715688.db2.gz QXXOGKARNLOJOY-IBGZPJMESA-N 1 0 398.890 3.620 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001352181449 1064912068 /nfs/dbraw/zinc/91/20/68/1064912068.db2.gz PZKDILALYXDCJA-UHFFFAOYSA-N 1 0 396.539 3.760 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001464589280 1065099056 /nfs/dbraw/zinc/09/90/56/1065099056.db2.gz UFNDDDAHVXQUQM-UHFFFAOYSA-N 1 0 381.545 3.808 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2sccc2CC#N)CC1 ZINC001352625860 1065187338 /nfs/dbraw/zinc/18/73/38/1065187338.db2.gz BZAOPLPDOZJHRB-UHFFFAOYSA-N 1 0 388.924 3.862 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn(-c2cccc(Cl)c2)c1)C(C)C ZINC001464868248 1065252349 /nfs/dbraw/zinc/25/23/49/1065252349.db2.gz FWKYKCCEFVSRBJ-FQEVSTJZSA-N 1 0 386.927 3.954 20 30 GHEDRO N#CCc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001352977206 1065532894 /nfs/dbraw/zinc/53/28/94/1065532894.db2.gz OENGIMKQWNQGDO-SEJPIABJSA-N 1 0 389.503 3.855 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001465381765 1065576189 /nfs/dbraw/zinc/57/61/89/1065576189.db2.gz UJEYIRWZZBDLOF-UHFFFAOYSA-N 1 0 380.492 3.989 20 30 GHEDRO CCCCCCCCCCNC(=S)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001200211229 1065596408 /nfs/dbraw/zinc/59/64/08/1065596408.db2.gz LCQJVDKNUYFYGE-UHFFFAOYSA-N 1 0 382.662 3.713 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492557128 1065657395 /nfs/dbraw/zinc/65/73/95/1065657395.db2.gz APIWOESWVKHSFZ-OALUTQOASA-N 1 0 394.567 3.971 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300274741 1065905442 /nfs/dbraw/zinc/90/54/42/1065905442.db2.gz MJZAFWOLIGBEGW-YYWHXJBOSA-N 1 0 379.552 3.618 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001465889890 1065911700 /nfs/dbraw/zinc/91/17/00/1065911700.db2.gz PEWJITGGPFVKSN-GOSISDBHSA-N 1 0 391.284 3.912 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCC[C@H]1C ZINC001300284409 1065923592 /nfs/dbraw/zinc/92/35/92/1065923592.db2.gz RPCJMKXVRJEUHB-DLBZAZTESA-N 1 0 377.492 3.634 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001300313757 1065973281 /nfs/dbraw/zinc/97/32/81/1065973281.db2.gz ONLQGTNFEJNRSK-KRWDZBQOSA-N 1 0 399.970 3.855 20 30 GHEDRO N#CC1(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC[NH+](Cc2ccccc2)CC1 ZINC000847745671 1066010941 /nfs/dbraw/zinc/01/09/41/1066010941.db2.gz MDOPYIBESQQDLG-WCRBZPEASA-N 1 0 394.515 3.731 20 30 GHEDRO CC(C)(C)c1n[nH]cc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746530 1066016114 /nfs/dbraw/zinc/01/61/14/1066016114.db2.gz LLMZXKLCUVOTQD-UHFFFAOYSA-N 1 0 380.492 3.670 20 30 GHEDRO N#CC1(COC(=O)[C@H]2CC(=O)c3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847747418 1066021241 /nfs/dbraw/zinc/02/12/41/1066021241.db2.gz HFWVIKGVIXPJGY-NRFANRHFSA-N 1 0 388.467 3.706 20 30 GHEDRO CC(C)Oc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000847748055 1066032598 /nfs/dbraw/zinc/03/25/98/1066032598.db2.gz WUOUDGKQQWUUBB-UHFFFAOYSA-N 1 0 393.487 3.832 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1)CC1CC1 ZINC001466382007 1066124556 /nfs/dbraw/zinc/12/45/56/1066124556.db2.gz FCWYQGPHISENKG-JXMROGBWSA-N 1 0 386.511 3.769 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1scc(C)c1C#N)[NH+]1CCCC1 ZINC001466472588 1066167200 /nfs/dbraw/zinc/16/72/00/1066167200.db2.gz ODWULMSNPCWWKH-KRWDZBQOSA-N 1 0 384.505 3.895 20 30 GHEDRO C[C@@H]1CC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)=NO1 ZINC001466619337 1066216710 /nfs/dbraw/zinc/21/67/10/1066216710.db2.gz UQKCVIDYJLAIQG-UIAACRFSSA-N 1 0 397.906 3.794 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC001466738763 1066286485 /nfs/dbraw/zinc/28/64/85/1066286485.db2.gz WPTCKJLTVGWPGT-QHCPKHFHSA-N 1 0 389.499 3.511 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC001467168444 1067116504 /nfs/dbraw/zinc/11/65/04/1067116504.db2.gz NTBXKXMUBZOCTQ-SFHVURJKSA-N 1 0 394.523 3.579 20 30 GHEDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001357999789 1067360435 /nfs/dbraw/zinc/36/04/35/1067360435.db2.gz IVBUHPFADRFZRH-LPHOPBHVSA-N 1 0 391.393 3.767 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(C(C)(C)CC#N)n2CCc2ccccc2)CC1 ZINC001358043246 1067375776 /nfs/dbraw/zinc/37/57/76/1067375776.db2.gz GLTQOAZLRCKIEY-UHFFFAOYSA-N 1 0 394.567 3.633 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)C(C)C ZINC001467660768 1067404922 /nfs/dbraw/zinc/40/49/22/1067404922.db2.gz YKYVWRSEXPHNMZ-JTHBVZDNSA-N 1 0 398.595 3.773 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001467728293 1067439550 /nfs/dbraw/zinc/43/95/50/1067439550.db2.gz DJDCLCHCVUQHTB-HXUWFJFHSA-N 1 0 398.469 3.621 20 30 GHEDRO C=CCN(C)CC[N@H+](CC)CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001473433322 1067560006 /nfs/dbraw/zinc/56/00/06/1067560006.db2.gz UBVODNPXESFKSF-IHWFROFDSA-N 1 0 379.589 3.994 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1([NH+](C)C)CCC1 ZINC001358873525 1067589150 /nfs/dbraw/zinc/58/91/50/1067589150.db2.gz KKQUKQOWUKRYNH-LJQANCHMSA-N 1 0 391.563 3.690 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)C[NH+](C)C ZINC001358882214 1067593794 /nfs/dbraw/zinc/59/37/94/1067593794.db2.gz VNNOVPCAQZIMGQ-KRWDZBQOSA-N 1 0 390.535 3.539 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001358885772 1067596748 /nfs/dbraw/zinc/59/67/48/1067596748.db2.gz QICZRCZCHKGASO-PMACEKPBSA-N 1 0 394.567 3.761 20 30 GHEDRO C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001358926689 1067616080 /nfs/dbraw/zinc/61/60/80/1067616080.db2.gz YDFNCXGURQEXDI-FQEVSTJZSA-N 1 0 394.567 3.779 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)C)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001358985070 1067635148 /nfs/dbraw/zinc/63/51/48/1067635148.db2.gz OFOZZDSBLKSJRR-HXUWFJFHSA-N 1 0 391.563 3.994 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+](C)C(C)C ZINC001359116465 1067694902 /nfs/dbraw/zinc/69/49/02/1067694902.db2.gz MCXWQBXFWOQBLU-RTBURBONSA-N 1 0 391.604 3.939 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COCC)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359116605 1067694930 /nfs/dbraw/zinc/69/49/30/1067694930.db2.gz RIAWFDIVRUOHTD-RXVVDRJESA-N 1 0 377.577 3.728 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@@H]1CCCC1(F)F ZINC000849110062 1067733638 /nfs/dbraw/zinc/73/36/38/1067733638.db2.gz QRIYIKCOGKVLFU-KRWDZBQOSA-N 1 0 383.483 3.592 20 30 GHEDRO C=CCCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359219273 1067796892 /nfs/dbraw/zinc/79/68/92/1067796892.db2.gz LTGUGZNRMDIKQE-VQTJNVASSA-N 1 0 397.567 3.785 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)c2ccc(Br)cc2)CC1 ZINC001468639896 1067801367 /nfs/dbraw/zinc/80/13/67/1067801367.db2.gz NDBNMBBDJIGTOD-HNNXBMFYSA-N 1 0 394.357 3.892 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC001468640718 1067802316 /nfs/dbraw/zinc/80/23/16/1067802316.db2.gz VNZNWMMMENCGIH-NHCUHLMSSA-N 1 0 385.552 3.914 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC[N@H+]1CC ZINC001359232510 1067834468 /nfs/dbraw/zinc/83/44/68/1067834468.db2.gz WRKSYDZCKLIJES-IRXDYDNUSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359241963 1067852318 /nfs/dbraw/zinc/85/23/18/1067852318.db2.gz JVXINWRAVJPKDJ-UHFFFAOYSA-N 1 0 381.568 3.922 20 30 GHEDRO C=CCN(C)c1nnc(COc2cccc(C)c2)n1CC1CC[NH+](CCC)CC1 ZINC001359243728 1067856666 /nfs/dbraw/zinc/85/66/66/1067856666.db2.gz BYXVNHUFSRDSSI-UHFFFAOYSA-N 1 0 397.567 3.910 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849485581 1067865501 /nfs/dbraw/zinc/86/55/01/1067865501.db2.gz HACXHLXAUBMCFC-UXHICEINSA-N 1 0 386.565 3.510 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001468776967 1067877004 /nfs/dbraw/zinc/87/70/04/1067877004.db2.gz GCLQZHPEROUBAJ-UHFFFAOYSA-N 1 0 391.581 3.771 20 30 GHEDRO CC(C)[C@H](CNC(=O)NCC#CC[NH+](C)C)Cc1ccc(Cl)cc1Cl ZINC001468781651 1067879620 /nfs/dbraw/zinc/87/96/20/1067879620.db2.gz NOMACDKRUJBFDN-INIZCTEOSA-N 1 0 384.351 3.672 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849516511 1067887520 /nfs/dbraw/zinc/88/75/20/1067887520.db2.gz KINBOFVJNSPIOR-YADHBBJMSA-N 1 0 396.535 3.828 20 30 GHEDRO C=CCN(c1nnc(C2CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C)C1CC1 ZINC001359249668 1067898714 /nfs/dbraw/zinc/89/87/14/1067898714.db2.gz LCRLNAQBGHFODP-FQEVSTJZSA-N 1 0 381.524 3.622 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359269666 1067935272 /nfs/dbraw/zinc/93/52/72/1067935272.db2.gz KWINSRROZCCGRY-OAQYLSRUSA-N 1 0 388.519 3.821 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359271544 1067938328 /nfs/dbraw/zinc/93/83/28/1067938328.db2.gz XOMFHWCCUUAWJL-UXHICEINSA-N 1 0 387.572 3.963 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC001359306564 1068023546 /nfs/dbraw/zinc/02/35/46/1068023546.db2.gz KQDXYLGYFPSWOH-GOSISDBHSA-N 1 0 383.540 3.545 20 30 GHEDRO C=CCSCCn1c(C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359337507 1068035046 /nfs/dbraw/zinc/03/50/46/1068035046.db2.gz UJQGVQZJKANWPI-MJGOQNOKSA-N 1 0 377.602 3.597 20 30 GHEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)nc1Cl ZINC001360087237 1068350881 /nfs/dbraw/zinc/35/08/81/1068350881.db2.gz IWZQEKIKHWVYTH-UHFFFAOYSA-N 1 0 382.895 3.913 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001360107015 1068364139 /nfs/dbraw/zinc/36/41/39/1068364139.db2.gz ZEXUASJSTGKCBA-XXBNENTESA-N 1 0 392.551 3.926 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001469855793 1068431307 /nfs/dbraw/zinc/43/13/07/1068431307.db2.gz GSGSKGBOKJQZOQ-YWZLYKJASA-N 1 0 386.446 3.897 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001469855789 1068431564 /nfs/dbraw/zinc/43/15/64/1068431564.db2.gz GSGSKGBOKJQZOQ-QRWLVFNGSA-N 1 0 386.446 3.897 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1([NH+](C)C)CCC1 ZINC001360469337 1068518548 /nfs/dbraw/zinc/51/85/48/1068518548.db2.gz APRBKYNPNFOVBO-HNNXBMFYSA-N 1 0 386.931 3.821 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1)C[NH+]1CCCCC1 ZINC001360598337 1068577727 /nfs/dbraw/zinc/57/77/27/1068577727.db2.gz XJRMPIFEQOQEEB-GCJKJVERSA-N 1 0 396.514 3.509 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCCC[C@@H]3CCO)sc2C1 ZINC001460096091 1068779554 /nfs/dbraw/zinc/77/95/54/1068779554.db2.gz VRKALNYGANXBDG-JKSUJKDBSA-N 1 0 389.565 3.700 20 30 GHEDRO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC001460652720 1069058719 /nfs/dbraw/zinc/05/87/19/1069058719.db2.gz KVCSOKLTYYDXJK-PGRDOPGGSA-N 1 0 386.442 3.673 20 30 GHEDRO CN(CCc1cccc(C#N)c1)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001460662231 1069067223 /nfs/dbraw/zinc/06/72/23/1069067223.db2.gz HHVSOOVBACHTIC-UHFFFAOYSA-N 1 0 384.545 3.804 20 30 GHEDRO C[C@@](O)(C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)C(F)(F)C(F)(F)F ZINC001460845297 1069214493 /nfs/dbraw/zinc/21/44/93/1069214493.db2.gz AUGQYVMPJKRKOH-LLVKDONJSA-N 1 0 395.294 3.557 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001460974761 1069308650 /nfs/dbraw/zinc/30/86/50/1069308650.db2.gz RYRHLMBCKQGFLQ-UXHICEINSA-N 1 0 387.524 3.703 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001470754911 1072722254 /nfs/dbraw/zinc/72/22/54/1072722254.db2.gz XJXUZWYOQLNZAZ-UHFFFAOYSA-N 1 0 382.426 3.876 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCC2(C#N)CCCCC2)[NH+](C)C)cc1 ZINC001478756522 1078977080 /nfs/dbraw/zinc/97/70/80/1078977080.db2.gz LQCCJYMHUGPVCK-FQEVSTJZSA-N 1 0 386.540 3.850 20 30 GHEDRO C[C@H]1[C@H](NC(=O)NC(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001478765982 1078979994 /nfs/dbraw/zinc/97/99/94/1078979994.db2.gz KCPWYAXZXGEOQU-PGRDOPGGSA-N 1 0 390.531 3.842 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC001478901929 1079021405 /nfs/dbraw/zinc/02/14/05/1079021405.db2.gz XHQBDEDDCBBRGD-MOPGFXCFSA-N 1 0 391.849 3.895 20 30 GHEDRO C#CCC1(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCC1 ZINC001471486592 1073099410 /nfs/dbraw/zinc/09/94/10/1073099410.db2.gz RANXNWWOVNFNHL-XZOQPEGZSA-N 1 0 387.527 3.900 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)CC1 ZINC001471938893 1073271389 /nfs/dbraw/zinc/27/13/89/1073271389.db2.gz ZHYGPOSEUUYVOB-UHFFFAOYSA-N 1 0 377.488 3.825 20 30 GHEDRO Cc1cc(NC(=O)c2cc(C#N)ccc2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001472544396 1073543323 /nfs/dbraw/zinc/54/33/23/1073543323.db2.gz VOBZFIWZKUMMTO-UHFFFAOYSA-N 1 0 376.504 3.958 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC001472666553 1073604895 /nfs/dbraw/zinc/60/48/95/1073604895.db2.gz BATBTSJXPFZRED-UPJWGTAASA-N 1 0 376.426 3.724 20 30 GHEDRO C[C@H]1CCN(c2cc(C#N)c(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001472709804 1073628951 /nfs/dbraw/zinc/62/89/51/1073628951.db2.gz XGBLZHNTGAWERP-HNNXBMFYSA-N 1 0 385.309 3.817 20 30 GHEDRO N#Cc1cc(N(CC[NH+]2CCCCCC2)C2CCC2)ncc1Br ZINC001472793372 1073668446 /nfs/dbraw/zinc/66/84/46/1073668446.db2.gz KWTADROQWPYZGW-UHFFFAOYSA-N 1 0 377.330 3.951 20 30 GHEDRO C[NH+]1CCC(n2cc(Nc3cc(Br)c(C#N)cc3F)cn2)CC1 ZINC001472852895 1073694727 /nfs/dbraw/zinc/69/47/27/1073694727.db2.gz YQDWKCRLFBXYGB-UHFFFAOYSA-N 1 0 378.249 3.667 20 30 GHEDRO CC[N@H+](CC(=O)NCCOc1c(C)cccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001473117080 1073787548 /nfs/dbraw/zinc/78/75/48/1073787548.db2.gz FTPZTBJSCKIBBN-IBGZPJMESA-N 1 0 379.504 3.753 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001473137216 1073799662 /nfs/dbraw/zinc/79/96/62/1073799662.db2.gz RBMHTVQHXUDZBB-FQEVSTJZSA-N 1 0 386.536 3.886 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC001473156626 1073814145 /nfs/dbraw/zinc/81/41/45/1073814145.db2.gz IMRUIYFOPRSRGX-QGZVFWFLSA-N 1 0 397.469 3.654 20 30 GHEDRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+](CCC#N)CC2CC2)cc1 ZINC001473204696 1073858218 /nfs/dbraw/zinc/85/82/18/1073858218.db2.gz XWEIIZYPXFBHKU-LJQANCHMSA-N 1 0 387.524 3.929 20 30 GHEDRO C#CCOCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001473371928 1073937899 /nfs/dbraw/zinc/93/78/99/1073937899.db2.gz LARFCGJSNCYEPW-HXUWFJFHSA-N 1 0 377.406 3.891 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1)Cc1cncc(C#N)c1 ZINC001473439485 1073963160 /nfs/dbraw/zinc/96/31/60/1073963160.db2.gz HJUQUEHZZFXUQP-UHFFFAOYSA-N 1 0 380.492 3.870 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001473463602 1073978432 /nfs/dbraw/zinc/97/84/32/1073978432.db2.gz PTLRYZMRWIGDRG-IBGZPJMESA-N 1 0 388.531 3.659 20 30 GHEDRO CCOC(=O)CC[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001473556780 1074014448 /nfs/dbraw/zinc/01/44/48/1074014448.db2.gz XZYDQWLEAKYGGL-UHFFFAOYSA-N 1 0 382.460 3.531 20 30 GHEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001473564618 1074019923 /nfs/dbraw/zinc/01/99/23/1074019923.db2.gz GWERAUSESIRDMD-XMMPIXPASA-N 1 0 390.458 3.522 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001479474137 1079215294 /nfs/dbraw/zinc/21/52/94/1079215294.db2.gz TUARMTVMYLQMCM-GGAORHGYSA-N 1 0 393.531 3.738 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001473842968 1074170034 /nfs/dbraw/zinc/17/00/34/1074170034.db2.gz JNOPPKASZOQMEQ-BANDYGIESA-N 1 0 381.520 3.698 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001473860661 1074179098 /nfs/dbraw/zinc/17/90/98/1074179098.db2.gz ATWIUFOXNUWMAY-OAQYLSRUSA-N 1 0 375.472 3.659 20 30 GHEDRO Cc1ccc(C)c(C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC001473863054 1074179997 /nfs/dbraw/zinc/17/99/97/1074179997.db2.gz PIUXSOZMJCRECZ-JOCHJYFZSA-N 1 0 378.516 3.989 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001474042618 1074246283 /nfs/dbraw/zinc/24/62/83/1074246283.db2.gz UQCNHNGXBQIPQI-RPBOFIJWSA-N 1 0 392.543 3.858 20 30 GHEDRO COc1cc(C[NH2+]CC(C)(C)CCC#N)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001474167171 1074281767 /nfs/dbraw/zinc/28/17/67/1074281767.db2.gz HOYFIURNGXAEIN-UHFFFAOYSA-N 1 0 389.374 3.964 20 30 GHEDRO Fc1cc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)ccc1OCC(F)(F)F ZINC001474264879 1074316779 /nfs/dbraw/zinc/31/67/79/1074316779.db2.gz GJVJTNBMMMSRLB-ZWNOBZJWSA-N 1 0 375.284 3.966 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cc1F ZINC001474432842 1074403854 /nfs/dbraw/zinc/40/38/54/1074403854.db2.gz LRNJKYYSCDDOHK-UHFFFAOYSA-N 1 0 376.229 3.578 20 30 GHEDRO C[C@@H]1C[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001493344456 1079261871 /nfs/dbraw/zinc/26/18/71/1079261871.db2.gz WMGGHQDZZFXCRR-YLJYHZDGSA-N 1 0 392.551 3.783 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C(C)(C)C ZINC001474563378 1074464178 /nfs/dbraw/zinc/46/41/78/1074464178.db2.gz NKYRKUSDVHFEGO-SFHVURJKSA-N 1 0 399.362 3.842 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001493844439 1079302742 /nfs/dbraw/zinc/30/27/42/1079302742.db2.gz HJLLRZURVQRCLO-SFHVURJKSA-N 1 0 394.567 3.859 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)CC1 ZINC001475187572 1074776133 /nfs/dbraw/zinc/77/61/33/1074776133.db2.gz OYLLUMJDKGETNH-UHFFFAOYSA-N 1 0 391.581 3.665 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001476057374 1075076938 /nfs/dbraw/zinc/07/69/38/1075076938.db2.gz ZEQGYLKORIXRAL-MRXNPFEDSA-N 1 0 393.491 3.940 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C)nc1Br)C(C)C ZINC001476308138 1075121857 /nfs/dbraw/zinc/12/18/57/1075121857.db2.gz IWQWURHGFCNQJZ-MRXNPFEDSA-N 1 0 395.345 3.973 20 30 GHEDRO CC[C@@H](C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+]1CC=CCC1 ZINC001496073683 1079452868 /nfs/dbraw/zinc/45/28/68/1079452868.db2.gz ICDMERQECZKBPL-LJQANCHMSA-N 1 0 392.551 3.951 20 30 GHEDRO CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001500377129 1079595970 /nfs/dbraw/zinc/59/59/70/1079595970.db2.gz BYSLVYFNQIYGFL-FQEVSTJZSA-N 1 0 380.540 3.927 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000819729481 607058306 /nfs/dbraw/zinc/05/83/06/607058306.db2.gz HCNATOMMLKMJNB-ZDUSSCGKSA-N 1 0 387.846 3.988 20 30 GHEDRO Cc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(C#C[Si](C)(C)C)c1 ZINC001164730206 720418520 /nfs/dbraw/zinc/41/85/20/720418520.db2.gz IPENFUPEDZHWAK-FCHUYYIVSA-N 1 0 390.607 3.867 20 30 GHEDRO Cc1ccc(CC#N)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838985 720716134 /nfs/dbraw/zinc/71/61/34/720716134.db2.gz JTFWTLNLXUKAKS-QFIPXVFZSA-N 1 0 390.531 3.716 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(CC#N)cc3Cl)C[C@@H]21 ZINC001165024575 721828535 /nfs/dbraw/zinc/82/85/35/721828535.db2.gz KMHUJGDTRQLKKT-HFSMHLIXSA-N 1 0 395.938 3.933 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)c1cccc(C#N)c1 ZINC000176791584 837535373 /nfs/dbraw/zinc/53/53/73/837535373.db2.gz RIIFTTDKHICVDJ-QHCPKHFHSA-N 1 0 391.515 3.938 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000255070250 837537673 /nfs/dbraw/zinc/53/76/73/837537673.db2.gz WWNRIHRSJJVDGA-BENRWUELSA-N 1 0 380.488 3.651 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180125925 837691758 /nfs/dbraw/zinc/69/17/58/837691758.db2.gz KNDNGCIEOZMXFY-UHFFFAOYSA-N 1 0 386.434 3.573 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000180968511 837749234 /nfs/dbraw/zinc/74/92/34/837749234.db2.gz VDGFJOJSLBDWHB-PBHICJAKSA-N 1 0 394.393 3.590 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccccc2)c(C)c(C)c1C ZINC000136530642 834539362 /nfs/dbraw/zinc/53/93/62/834539362.db2.gz KKWKZVSZJGGFRD-IBGZPJMESA-O 1 0 397.564 3.773 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000563882349 834541340 /nfs/dbraw/zinc/54/13/40/834541340.db2.gz JEDJPBGZPWHSLW-AVRDEDQJSA-N 1 0 388.515 3.993 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000458577210 834588570 /nfs/dbraw/zinc/58/85/70/834588570.db2.gz QJXMTJDHDSLZEW-IRXDYDNUSA-N 1 0 394.494 3.653 20 30 GHEDRO N#Cc1ccsc1NC(=O)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375750977 834599845 /nfs/dbraw/zinc/59/98/45/834599845.db2.gz POEARWYFILIPHR-QFIPXVFZSA-N 1 0 394.544 3.546 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000245455906 834601635 /nfs/dbraw/zinc/60/16/35/834601635.db2.gz BAQDYNKZCNOCNF-JTTANEKDSA-N 1 0 387.545 3.585 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)nc1 ZINC000430151960 834610968 /nfs/dbraw/zinc/61/09/68/834610968.db2.gz BPJKQIZSOLUCSC-IBGZPJMESA-N 1 0 390.399 3.775 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128231234 834717264 /nfs/dbraw/zinc/71/72/64/834717264.db2.gz SQNJLOLOPFYFPN-AWEZNQCLSA-N 1 0 375.881 3.755 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000181053695 837809309 /nfs/dbraw/zinc/80/93/09/837809309.db2.gz BFUXJHHHXVUPEH-GOSISDBHSA-N 1 0 376.504 3.753 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458629911 834831809 /nfs/dbraw/zinc/83/18/09/834831809.db2.gz XROPJLQRCZMTHU-RHSMWYFYSA-N 1 0 380.895 3.663 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(CO)c1 ZINC000274731521 834891559 /nfs/dbraw/zinc/89/15/59/834891559.db2.gz CUPPILKABWGMIJ-UHFFFAOYSA-O 1 0 391.582 3.862 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418590209 834926947 /nfs/dbraw/zinc/92/69/47/834926947.db2.gz TVHLMPCTAJCQDA-GJZGRUSLSA-N 1 0 384.293 3.556 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246981559 835076290 /nfs/dbraw/zinc/07/62/90/835076290.db2.gz HHJQVZJBJZBBJV-RBUKOAKNSA-N 1 0 375.582 3.602 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000611938451 835086741 /nfs/dbraw/zinc/08/67/41/835086741.db2.gz LKWAOKIAASKBRG-OAQYLSRUSA-N 1 0 396.922 3.967 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)CCOCC1 ZINC000375594097 835228249 /nfs/dbraw/zinc/22/82/49/835228249.db2.gz BYTDVYZHWIYTPK-UHFFFAOYSA-N 1 0 389.927 3.588 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000132383657 835352797 /nfs/dbraw/zinc/35/27/97/835352797.db2.gz JLHXNSPSXSZAOW-UYAOXDASSA-N 1 0 377.488 3.714 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1C#N ZINC000052753533 835456982 /nfs/dbraw/zinc/45/69/82/835456982.db2.gz WXLHUUCRDXFHBY-GOSISDBHSA-N 1 0 398.551 3.921 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000584021302 835462993 /nfs/dbraw/zinc/46/29/93/835462993.db2.gz OETDIOZZQZYMIF-SFTDATJTSA-N 1 0 381.451 3.878 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n(C(C)(C)C)n1 ZINC000065772720 835479180 /nfs/dbraw/zinc/47/91/80/835479180.db2.gz NKQSHEBSKOOYGE-UHFFFAOYSA-N 1 0 394.523 3.558 20 30 GHEDRO C[NH+]=C(NCCc1c(C)noc1C)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261687922 844058156 /nfs/dbraw/zinc/05/81/56/844058156.db2.gz HHGDIOKYVIQJKP-QHCPKHFHSA-N 1 0 380.536 3.779 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000433376955 844072635 /nfs/dbraw/zinc/07/26/35/844072635.db2.gz LAKCVPPCPDEPHQ-WTIAFYNJSA-N 1 0 375.516 3.928 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179473250 835737388 /nfs/dbraw/zinc/73/73/88/835737388.db2.gz OWMFJXIBEODDJY-UTKZUKDTSA-N 1 0 385.870 3.702 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188403795 835835520 /nfs/dbraw/zinc/83/55/20/835835520.db2.gz SIPMWTGSZXFVPC-UHFFFAOYSA-N 1 0 391.515 3.627 20 30 GHEDRO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)sc2c1CCCCC2 ZINC000584289648 835847113 /nfs/dbraw/zinc/84/71/13/835847113.db2.gz ZJJZYIGXTRVIBS-CRAIPNDOSA-N 1 0 387.549 3.718 20 30 GHEDRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000510921239 844103113 /nfs/dbraw/zinc/10/31/13/844103113.db2.gz YGUNUPKSMXYJGA-RBBKRZOGSA-N 1 0 382.479 3.790 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccc(C#N)cc1 ZINC000134776236 835956897 /nfs/dbraw/zinc/95/68/97/835956897.db2.gz BCNVZUWALIYBKC-ROUUACIJSA-N 1 0 376.504 3.514 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134789201 835978096 /nfs/dbraw/zinc/97/80/96/835978096.db2.gz JDCKCHFDJGYVAG-ROUUACIJSA-N 1 0 387.480 3.676 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000177189612 836071683 /nfs/dbraw/zinc/07/16/83/836071683.db2.gz YAWGEQBWVFUXOY-UHFFFAOYSA-N 1 0 375.538 3.781 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-n2cccn2)c(F)c1)C(C)C ZINC000510159962 836103017 /nfs/dbraw/zinc/10/30/17/836103017.db2.gz KAXJFDYRZVMBEC-FQEVSTJZSA-N 1 0 385.487 3.832 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000180488940 836180076 /nfs/dbraw/zinc/18/00/76/836180076.db2.gz HCCXBCPSSLZUQU-QHCPKHFHSA-N 1 0 398.572 3.728 20 30 GHEDRO Cc1ccc(CSCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930000 836252018 /nfs/dbraw/zinc/25/20/18/836252018.db2.gz SSRPQTCAYHRTRU-UHFFFAOYSA-N 1 0 381.545 3.690 20 30 GHEDRO Cc1ccc2ncc(C#N)c(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000582522425 836376599 /nfs/dbraw/zinc/37/65/99/836376599.db2.gz OWUZATSDQFBLMY-HDICACEKSA-N 1 0 378.520 3.741 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704608 844164585 /nfs/dbraw/zinc/16/45/85/844164585.db2.gz ATLNGMROPFNXOB-HXUWFJFHSA-N 1 0 396.466 3.904 20 30 GHEDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccccc1C#N ZINC000290179748 836485611 /nfs/dbraw/zinc/48/56/11/836485611.db2.gz QRZINLPLELEFME-IERDGZPVSA-N 1 0 375.472 3.569 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1F ZINC001167138838 836544634 /nfs/dbraw/zinc/54/46/34/836544634.db2.gz RIBFVEMKGCQWIW-UHFFFAOYSA-N 1 0 387.411 3.759 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000376045683 836646884 /nfs/dbraw/zinc/64/68/84/836646884.db2.gz SNFMTZGNOIGHHX-UHFFFAOYSA-N 1 0 383.879 3.593 20 30 GHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000248875736 836651679 /nfs/dbraw/zinc/65/16/79/836651679.db2.gz QZZXWQCTVBFQEY-JLSDUUJJSA-N 1 0 379.426 3.868 20 30 GHEDRO CN1CCC2(CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)C1=O ZINC000376052973 836676518 /nfs/dbraw/zinc/67/65/18/836676518.db2.gz IYFXCOZUIAIYIK-UHFFFAOYSA-N 1 0 389.499 3.582 20 30 GHEDRO COc1ccc([C@@H](C)CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000175184978 836710213 /nfs/dbraw/zinc/71/02/13/836710213.db2.gz YWYBDEATWDYQQJ-IBGZPJMESA-N 1 0 391.515 3.795 20 30 GHEDRO CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000612771770 836742171 /nfs/dbraw/zinc/74/21/71/836742171.db2.gz NVEJHTCZDDERMJ-HXUWFJFHSA-N 1 0 380.467 3.503 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000180031005 836773864 /nfs/dbraw/zinc/77/38/64/836773864.db2.gz LPNDVBHRUSSLIH-UHFFFAOYSA-N 1 0 386.455 3.884 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176126678 844206536 /nfs/dbraw/zinc/20/65/36/844206536.db2.gz PIIDDYMGHVPGFJ-GCJKJVERSA-N 1 0 393.556 3.961 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000548965111 836992426 /nfs/dbraw/zinc/99/24/26/836992426.db2.gz NXXHYRLQZGNGOB-UHFFFAOYSA-N 1 0 390.535 3.955 20 30 GHEDRO O=C(c1ccc2c(c1)CCCC2)C(C(=S)NC[C@@H]1CCCO1)[n+]1ccccc1 ZINC000027070967 837025672 /nfs/dbraw/zinc/02/56/72/837025672.db2.gz YGDPLONVTRXOLT-FQEVSTJZSA-O 1 0 395.548 3.560 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000510253393 837052835 /nfs/dbraw/zinc/05/28/35/837052835.db2.gz HHXWUSCXANBOTD-UWJYYQICSA-N 1 0 377.488 3.656 20 30 GHEDRO Cc1ccc(CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000176002060 837123028 /nfs/dbraw/zinc/12/30/28/837123028.db2.gz ZVVYIGZKCIXVMS-UHFFFAOYSA-N 1 0 381.545 3.985 20 30 GHEDRO COC(=O)c1cnc([C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000414067004 837343747 /nfs/dbraw/zinc/34/37/47/837343747.db2.gz AFVBJSDLANXYOX-IUDNXUCKSA-N 1 0 385.489 3.842 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180572297 837355683 /nfs/dbraw/zinc/35/56/83/837355683.db2.gz KWCQYPHMFLXZJM-AEFFLSMTSA-N 1 0 382.357 3.720 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659047569 837384835 /nfs/dbraw/zinc/38/48/35/837384835.db2.gz SXDHMMHWQIUJLX-OAQYLSRUSA-N 1 0 397.523 3.735 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](CCCC3(C#N)CCOCC3)C2)cc(OC)c1 ZINC000375615449 837837120 /nfs/dbraw/zinc/83/71/20/837837120.db2.gz ZMPVJWAZOVPUOV-SFHVURJKSA-N 1 0 387.524 3.681 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)sc2c1CCC2 ZINC000177198145 837882967 /nfs/dbraw/zinc/88/29/67/837882967.db2.gz PVEQKMOQAAWMPI-NVXWUHKLSA-N 1 0 375.563 3.797 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C#N)c1C ZINC000177172219 837895553 /nfs/dbraw/zinc/89/55/53/837895553.db2.gz NQVRHFZTLFSJAN-MAUKXSAKSA-N 1 0 388.581 3.762 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000177565593 837970721 /nfs/dbraw/zinc/97/07/21/837970721.db2.gz QEGAEOZLEJYQDM-RTWAWAEBSA-N 1 0 377.488 3.740 20 30 GHEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415691791 837994784 /nfs/dbraw/zinc/99/47/84/837994784.db2.gz GHSFLNQDMFEZNF-SFHVURJKSA-N 1 0 396.539 3.879 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)n(-c2ccc(C#N)cc2)n1 ZINC000415708053 838008541 /nfs/dbraw/zinc/00/85/41/838008541.db2.gz WRLXHPVPRLTLTL-IAGOWNOFSA-N 1 0 394.523 3.680 20 30 GHEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 ZINC000415703202 838015044 /nfs/dbraw/zinc/01/50/44/838015044.db2.gz QGKRAKSIYUOSRJ-DOTOQJQBSA-N 1 0 394.523 3.633 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000609071095 838045918 /nfs/dbraw/zinc/04/59/18/838045918.db2.gz XUOZKIVYTZKBJM-OAQYLSRUSA-N 1 0 395.503 3.971 20 30 GHEDRO N#Cc1cccc(OC2CCN(Cc3nc(-c4ccccc4F)no3)CC2)c1 ZINC000189004363 838055156 /nfs/dbraw/zinc/05/51/56/838055156.db2.gz WLGWPTRAIIXKDU-UHFFFAOYSA-N 1 0 378.407 3.791 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000189214091 838241169 /nfs/dbraw/zinc/24/11/69/838241169.db2.gz NEBCNAJXHSUZMO-AVRDEDQJSA-N 1 0 377.463 3.824 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000659315603 838281208 /nfs/dbraw/zinc/28/12/08/838281208.db2.gz SHABSNLTJPYEOP-WCQYABFASA-N 1 0 398.322 3.800 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000415926956 838284811 /nfs/dbraw/zinc/28/48/11/838284811.db2.gz CBPMQKVPDSDGBZ-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378016920 838289372 /nfs/dbraw/zinc/28/93/72/838289372.db2.gz GVXQZLAIUYHDDE-UHFFFAOYSA-N 1 0 397.567 3.527 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267386 838327979 /nfs/dbraw/zinc/32/79/79/838327979.db2.gz JDCLQWUVIFNIPB-FUHWJXTLSA-N 1 0 378.520 3.959 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610322886 838443850 /nfs/dbraw/zinc/44/38/50/838443850.db2.gz CUUAUZZWHQPJNP-LJQANCHMSA-N 1 0 378.476 3.695 20 30 GHEDRO Cc1nccn1-c1ccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1F ZINC000610349030 838598458 /nfs/dbraw/zinc/59/84/58/838598458.db2.gz DMMOJNAZTNKDDF-CQSZACIVSA-N 1 0 377.423 3.752 20 30 GHEDRO Cn1cc(-c2ccc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)s2)cn1 ZINC000549401114 838604028 /nfs/dbraw/zinc/60/40/28/838604028.db2.gz JHZRCDNNNCIUEL-UHFFFAOYSA-N 1 0 377.517 3.733 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000610349749 838605605 /nfs/dbraw/zinc/60/56/05/838605605.db2.gz VGLGFHYRAOWRIT-GCJKJVERSA-N 1 0 378.520 3.872 20 30 GHEDRO C[N@H+](CCOc1ccccc1F)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000014079379 838624205 /nfs/dbraw/zinc/62/42/05/838624205.db2.gz GZCWIIGTUYUMRA-UHFFFAOYSA-N 1 0 375.831 3.690 20 30 GHEDRO C#CCC(CC#C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000376705898 838640725 /nfs/dbraw/zinc/64/07/25/838640725.db2.gz GYIURTOQVIAJJV-ICSRJNTNSA-N 1 0 390.449 3.867 20 30 GHEDRO CO/N=C/c1ccc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000275748053 838656094 /nfs/dbraw/zinc/65/60/94/838656094.db2.gz QOYQPGBAPYAAAW-QNDYCBLQSA-N 1 0 383.517 3.513 20 30 GHEDRO CSc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC001125870608 838767277 /nfs/dbraw/zinc/76/72/77/838767277.db2.gz JJZLQGVKHDYIEU-UHFFFAOYSA-N 1 0 381.545 3.803 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)CC1 ZINC000378296009 838799272 /nfs/dbraw/zinc/79/92/72/838799272.db2.gz SYWIEEBBXXBOAH-UHFFFAOYSA-N 1 0 397.548 3.825 20 30 GHEDRO N#Cc1cc(Cl)cc(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CCCC(F)(F)F)c1 ZINC001279107327 838938743 /nfs/dbraw/zinc/93/87/43/838938743.db2.gz NXMLFBNRMFTMLJ-HOTGVXAUSA-N 1 0 385.817 3.843 20 30 GHEDRO N#Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cnc1C(F)(F)F ZINC000549424994 838975413 /nfs/dbraw/zinc/97/54/13/838975413.db2.gz VHZGZSOJIOMPQX-QGZVFWFLSA-N 1 0 388.393 3.539 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419369962 844386673 /nfs/dbraw/zinc/38/66/73/844386673.db2.gz GRZFVHKYJPIRMU-QGZVFWFLSA-N 1 0 388.581 3.826 20 30 GHEDRO COc1ccc(C2(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)CCOCC2)cc1 ZINC000067253099 844407184 /nfs/dbraw/zinc/40/71/84/844407184.db2.gz LOXUHOXANRTXGD-UHFFFAOYSA-N 1 0 393.531 3.883 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000415083312 839178620 /nfs/dbraw/zinc/17/86/20/839178620.db2.gz MZIAJBNGABKSOS-UHFFFAOYSA-N 1 0 380.448 3.623 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458179866 844409399 /nfs/dbraw/zinc/40/93/99/844409399.db2.gz AKUFKIWBWHAJTI-ACESQOTJSA-N 1 0 394.490 3.501 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415114768 839225758 /nfs/dbraw/zinc/22/57/58/839225758.db2.gz DCTJPIMXLZKBHU-GOSISDBHSA-N 1 0 392.503 3.957 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415156855 839298137 /nfs/dbraw/zinc/29/81/37/839298137.db2.gz GXPLTZFGINUWHS-KGLIPLIRSA-N 1 0 382.489 3.678 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415160743 839304502 /nfs/dbraw/zinc/30/45/02/839304502.db2.gz MAXAVXWWQBWZGZ-INIZCTEOSA-N 1 0 383.521 3.635 20 30 GHEDRO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1C#N ZINC000579556605 839343210 /nfs/dbraw/zinc/34/32/10/839343210.db2.gz UIHFPMCTQIVGJQ-SFHVURJKSA-N 1 0 392.503 3.981 20 30 GHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(N(C)CCC#N)cc3)ccc2NC1=O ZINC000174139331 839467369 /nfs/dbraw/zinc/46/73/69/839467369.db2.gz ZKTYGOYMJQKKDQ-IERDGZPVSA-N 1 0 392.503 3.997 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000328728177 839527356 /nfs/dbraw/zinc/52/73/56/839527356.db2.gz DQORANYIQYLHHX-VQIMIIECSA-N 1 0 386.540 3.820 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549253809 839592557 /nfs/dbraw/zinc/59/25/57/839592557.db2.gz FCLJIJCPKVUDOJ-UHFFFAOYSA-N 1 0 395.551 3.985 20 30 GHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000471582537 839650963 /nfs/dbraw/zinc/65/09/63/839650963.db2.gz WJMWWSJGWPJLHZ-HXUWFJFHSA-N 1 0 391.515 3.798 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)[NH+]1CCCC1 ZINC000122523011 839680642 /nfs/dbraw/zinc/68/06/42/839680642.db2.gz GIDROIXNCLVXPY-LJQANCHMSA-N 1 0 383.879 3.787 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000175380175 839732826 /nfs/dbraw/zinc/73/28/26/839732826.db2.gz IXGFIIUMRVDCED-UHFFFAOYSA-O 1 0 386.516 3.592 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CC2)c1C#N ZINC000610447671 839837279 /nfs/dbraw/zinc/83/72/79/839837279.db2.gz NLUYNGLDTCVXJI-HXUWFJFHSA-N 1 0 380.492 3.821 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c(C#N)c1C ZINC000610451309 839924488 /nfs/dbraw/zinc/92/44/88/839924488.db2.gz OPGHCZQVSUQOHM-WMZOPIPTSA-N 1 0 394.519 3.692 20 30 GHEDRO Cc1nc2ccccc2n1CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160619990 840087039 /nfs/dbraw/zinc/08/70/39/840087039.db2.gz KAMPKXJCICHLEY-UHFFFAOYSA-N 1 0 377.370 3.670 20 30 GHEDRO C=C(C)COCC[NH2+][C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180946784 844519169 /nfs/dbraw/zinc/51/91/69/844519169.db2.gz BTRYFTVMAZBXSI-JOCHJYFZSA-N 1 0 387.545 3.924 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000053721303 840355878 /nfs/dbraw/zinc/35/58/78/840355878.db2.gz RKBPLVWTANLBQJ-UHFFFAOYSA-N 1 0 394.515 3.537 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000573424430 844532467 /nfs/dbraw/zinc/53/24/67/844532467.db2.gz XGFGYNQNJUUKJB-WZOJCFFYSA-N 1 0 391.437 3.583 20 30 GHEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCc2sccc2C1 ZINC000160674313 840378507 /nfs/dbraw/zinc/37/85/07/840378507.db2.gz KPQWIKFKBGRBJI-LBPRGKRZSA-N 1 0 398.454 3.820 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000119358523 840469075 /nfs/dbraw/zinc/46/90/75/840469075.db2.gz ZWUDEXWYYGUCRH-DENIHFKCSA-N 1 0 375.472 3.907 20 30 GHEDRO CC[NH+](CC)CCN(CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccs1 ZINC000156769335 840575165 /nfs/dbraw/zinc/57/51/65/840575165.db2.gz FNFBHXSGGZCYKE-UHFFFAOYSA-N 1 0 388.537 3.612 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c1 ZINC000581003483 840581947 /nfs/dbraw/zinc/58/19/47/840581947.db2.gz QXGVXRFIEKCZIG-VQTJNVASSA-N 1 0 385.414 3.755 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000510985997 844563159 /nfs/dbraw/zinc/56/31/59/844563159.db2.gz MGLWRMDVBLXVEZ-HSZRJFAPSA-N 1 0 386.580 3.743 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000581113867 840721219 /nfs/dbraw/zinc/72/12/19/840721219.db2.gz NMJQGDXSZFTKME-UHFFFAOYSA-N 1 0 378.524 3.923 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)CC1 ZINC000433525897 844569900 /nfs/dbraw/zinc/56/99/00/844569900.db2.gz RJVWHTJISUJWMH-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417374726 840773203 /nfs/dbraw/zinc/77/32/03/840773203.db2.gz YNLMTQMCUWHMMQ-QVKFZJNVSA-N 1 0 391.471 3.729 20 30 GHEDRO N#Cc1c(F)cc(CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1F ZINC000584854307 841080258 /nfs/dbraw/zinc/08/02/58/841080258.db2.gz HPMNEVOJCHPUFX-WZONZLPQSA-N 1 0 395.453 3.755 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[N@H+]2CC=CCC2)cc1F ZINC000432200413 841093403 /nfs/dbraw/zinc/09/34/03/841093403.db2.gz BIXLLILYGXUHRO-UHFFFAOYSA-N 1 0 380.423 3.873 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](C)Oc3ccccc3C#N)C2)s1 ZINC000573619036 844610121 /nfs/dbraw/zinc/61/01/21/844610121.db2.gz XFBRXHGTEYASCE-QZTJIDSGSA-N 1 0 397.544 3.676 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478830 841198300 /nfs/dbraw/zinc/19/83/00/841198300.db2.gz ZVTYHPYAYHFJSB-ZLGUVYLKSA-N 1 0 391.506 3.667 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1cccc(CO)c1 ZINC000027058041 841202185 /nfs/dbraw/zinc/20/21/85/841202185.db2.gz DVGXLJDYWMJSPJ-UHFFFAOYSA-O 1 0 397.545 3.704 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000125047753 841213050 /nfs/dbraw/zinc/21/30/50/841213050.db2.gz ULGLSKPPIZFOHU-GOSISDBHSA-N 1 0 391.519 3.528 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000277096739 844619252 /nfs/dbraw/zinc/61/92/52/844619252.db2.gz GFVOWNWPKKAUSZ-SFHVURJKSA-N 1 0 399.514 3.632 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000027072572 841229104 /nfs/dbraw/zinc/22/91/04/841229104.db2.gz ROTSLCDTIAWRMG-KRWDZBQOSA-O 1 0 395.504 3.736 20 30 GHEDRO C=CC[S@](=O)(=NC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000891377190 841244849 /nfs/dbraw/zinc/24/48/49/841244849.db2.gz SXUOHINTPIDGED-HHHXNRCGSA-N 1 0 383.517 3.846 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156186746 841266216 /nfs/dbraw/zinc/26/62/16/841266216.db2.gz INCZAGZMGGNGHJ-AVRDEDQJSA-N 1 0 376.504 3.753 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)c1ccccc1 ZINC000684254830 841366986 /nfs/dbraw/zinc/36/69/86/841366986.db2.gz QLOPWOAFTKXAAG-KRWDZBQOSA-N 1 0 384.549 3.856 20 30 GHEDRO COC1(CC[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCC1 ZINC000549532334 841426937 /nfs/dbraw/zinc/42/69/37/841426937.db2.gz RSNUWPKPCDLFGP-GOSISDBHSA-N 1 0 392.341 3.591 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000500103867 841442937 /nfs/dbraw/zinc/44/29/37/841442937.db2.gz FAKSWQVBTSQQEV-QIJUGHKUSA-N 1 0 376.504 3.994 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[N@@H+](C)CC23CCCCC3)cc1C ZINC000178405455 841488938 /nfs/dbraw/zinc/48/89/38/841488938.db2.gz MTOIMZKWSVBODJ-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cnc1N1CCCC[C@@H]1C ZINC000329254630 861209287 /nfs/dbraw/zinc/20/92/87/861209287.db2.gz WZHWSSCIMLBFEW-CMKODMSKSA-N 1 0 385.556 3.873 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1nc(C2CCCCC2)no1 ZINC000329256286 861210256 /nfs/dbraw/zinc/21/02/56/861210256.db2.gz BNBKLKILJJNRDD-HLLBOEOZSA-N 1 0 375.517 3.651 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC000566593357 841566119 /nfs/dbraw/zinc/56/61/19/841566119.db2.gz JAYRSXXUALGGRT-HXUWFJFHSA-N 1 0 377.488 3.850 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)c1 ZINC001167467302 841579865 /nfs/dbraw/zinc/57/98/65/841579865.db2.gz GVJVGFIZJSREEU-MJGOQNOKSA-N 1 0 375.472 3.502 20 30 GHEDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@H]1C ZINC000662775127 841590232 /nfs/dbraw/zinc/59/02/32/841590232.db2.gz QANYCAIKYXXKPU-UWVGGRQHSA-N 1 0 386.311 3.798 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000623579346 861220059 /nfs/dbraw/zinc/22/00/59/861220059.db2.gz XUTJUKKWLRZKMH-QGZVFWFLSA-N 1 0 377.479 3.894 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661323901 841628938 /nfs/dbraw/zinc/62/89/38/841628938.db2.gz AGDCINOPMKCPQH-HSZRJFAPSA-N 1 0 392.547 3.780 20 30 GHEDRO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)NC1CCCCC1)[n+]1ccccc1 ZINC000027460950 841648884 /nfs/dbraw/zinc/64/88/84/841648884.db2.gz IJNRGCUKEWVUOX-UHFFFAOYSA-O 1 0 384.481 3.743 20 30 GHEDRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000126600629 841701763 /nfs/dbraw/zinc/70/17/63/841701763.db2.gz HBZKRZCICLANLA-UHFFFAOYSA-N 1 0 380.492 3.861 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1 ZINC000157324927 841809380 /nfs/dbraw/zinc/80/93/80/841809380.db2.gz SIYLNRYZOMNNKU-HXUWFJFHSA-N 1 0 383.536 3.686 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000610522843 841926530 /nfs/dbraw/zinc/92/65/30/841926530.db2.gz BCCMYVARAHQGKG-WIYYLYMNSA-N 1 0 386.499 3.805 20 30 GHEDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000171024171 861261565 /nfs/dbraw/zinc/26/15/65/861261565.db2.gz ZJUPALMHRNIOES-GOSISDBHSA-N 1 0 390.487 3.581 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000066905021 842088560 /nfs/dbraw/zinc/08/85/60/842088560.db2.gz YGEVOAFUMVUMHU-JOCHJYFZSA-N 1 0 388.467 3.667 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c(C#N)c1C ZINC000157912511 842116552 /nfs/dbraw/zinc/11/65/52/842116552.db2.gz SEVLXPSPWIKWIQ-UHFFFAOYSA-N 1 0 395.459 3.537 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329317111 861278617 /nfs/dbraw/zinc/27/86/17/861278617.db2.gz DBFJGINIXZQZAL-AZUAARDMSA-N 1 0 399.583 3.978 20 30 GHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000477477175 842177962 /nfs/dbraw/zinc/17/79/62/842177962.db2.gz CRUQAAQVMNRWAJ-FWGXRIOKSA-N 1 0 398.551 3.810 20 30 GHEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000329329373 861289174 /nfs/dbraw/zinc/28/91/74/861289174.db2.gz VFZWMVBZSCODSG-FZMZJTMJSA-N 1 0 382.291 3.540 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)nc1 ZINC000585794474 842313340 /nfs/dbraw/zinc/31/33/40/842313340.db2.gz ZMKBHEQMMSIAFS-AVRDEDQJSA-N 1 0 376.504 3.680 20 30 GHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000159155960 842323921 /nfs/dbraw/zinc/32/39/21/842323921.db2.gz VMTGBGWMJZNYPC-IBGZPJMESA-N 1 0 390.871 3.592 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1C ZINC000780372367 842325324 /nfs/dbraw/zinc/32/53/24/842325324.db2.gz OZPFYIHUMBMOEE-NRFANRHFSA-N 1 0 391.515 3.951 20 30 GHEDRO Cc1cc(NC(=O)N2CCCC23CC[NH+](C)CC3)cnc1N1CCCC[C@@H]1C ZINC000329341361 861305464 /nfs/dbraw/zinc/30/54/64/861305464.db2.gz OXJRCGWFBCWBEP-SFHVURJKSA-N 1 0 385.556 3.875 20 30 GHEDRO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000329348406 861310835 /nfs/dbraw/zinc/31/08/35/861310835.db2.gz SCRKKKWOIRBZBG-WIYYLYMNSA-N 1 0 383.536 3.905 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC000617196119 842590298 /nfs/dbraw/zinc/59/02/98/842590298.db2.gz TVRXSXRSHPJIIB-ROUUACIJSA-N 1 0 382.305 3.889 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3coc4ccccc34)CC2)cc1 ZINC000512137221 842618716 /nfs/dbraw/zinc/61/87/16/842618716.db2.gz GYHUEVIPGLFSGL-UHFFFAOYSA-N 1 0 388.471 3.722 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000249134031 842713080 /nfs/dbraw/zinc/71/30/80/842713080.db2.gz YMGXVTFYXCPFCQ-VHSSKADRSA-N 1 0 393.890 3.630 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000248977736 842716306 /nfs/dbraw/zinc/71/63/06/842716306.db2.gz FBXJHEFVFPHQGF-HKBOAZHASA-N 1 0 395.890 3.827 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC#Cc1cccc(F)c1 ZINC000512179344 842787315 /nfs/dbraw/zinc/78/73/15/842787315.db2.gz XFWWMFXZSBKAGJ-JOCHJYFZSA-N 1 0 393.506 3.777 20 30 GHEDRO CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328884560 842797692 /nfs/dbraw/zinc/79/76/92/842797692.db2.gz NXMHMKPWQXPRGL-QHAWAJNXSA-N 1 0 383.536 3.569 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](c1ccccn1)C1CCC1)CCC2 ZINC000599574027 861349223 /nfs/dbraw/zinc/34/92/23/861349223.db2.gz MLISTARQCRVPEL-HXUWFJFHSA-N 1 0 380.517 3.963 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CSCc1ccc(C#N)cc1)[NH+](C)C ZINC000510525094 842898159 /nfs/dbraw/zinc/89/81/59/842898159.db2.gz PCOKVSUYFLGVQO-VGSWGCGISA-N 1 0 381.545 3.908 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050963710 842951545 /nfs/dbraw/zinc/95/15/45/842951545.db2.gz WREXELCSGYXSMX-HXUWFJFHSA-N 1 0 381.451 3.707 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000279322832 842984235 /nfs/dbraw/zinc/98/42/35/842984235.db2.gz BWRCPIGDSPVBMN-GOSISDBHSA-N 1 0 375.451 3.987 20 30 GHEDRO CCCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OCC ZINC000067011119 843020944 /nfs/dbraw/zinc/02/09/44/843020944.db2.gz SXNJUBHPBONWMM-UHFFFAOYSA-N 1 0 394.519 3.899 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512227549 843147874 /nfs/dbraw/zinc/14/78/74/843147874.db2.gz MCVPWECWRQYDCT-KRWDZBQOSA-N 1 0 395.286 3.966 20 30 GHEDRO COC1(c2noc(CC3CC[NH+](CC#Cc4ccccc4)CC3)n2)CCCC1 ZINC000662377251 843176470 /nfs/dbraw/zinc/17/64/70/843176470.db2.gz MGIDWUVHWWSYAZ-UHFFFAOYSA-N 1 0 379.504 3.792 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000728907035 843254829 /nfs/dbraw/zinc/25/48/29/843254829.db2.gz IVYAIIYRMPIUPA-UHFFFAOYSA-N 1 0 385.581 3.807 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)c(C#N)c1 ZINC000548414091 843305556 /nfs/dbraw/zinc/30/55/56/843305556.db2.gz NTCGRKHJUXRQPT-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1C#N ZINC000065910687 843358435 /nfs/dbraw/zinc/35/84/35/843358435.db2.gz VXSGQTHJQTYETI-UHFFFAOYSA-N 1 0 386.565 3.889 20 30 GHEDRO C=CC[C@@]1(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)CCC[NH2+]1 ZINC000662517805 843384363 /nfs/dbraw/zinc/38/43/63/843384363.db2.gz DKJCZDJWOAKHGY-QHCPKHFHSA-N 1 0 377.488 3.562 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Br)cc1Cl)N(C)C[C@H]1CCOC1 ZINC000261613227 843393899 /nfs/dbraw/zinc/39/38/99/843393899.db2.gz GFRMPZGDXLPJEY-GFCCVEGCSA-N 1 0 388.737 3.536 20 30 GHEDRO C=CCN1C(=O)N(C[C@@H](c2ccco2)[NH+](CC)CC)C(=O)[C@@H]1Cc1ccccc1 ZINC000431015426 843426183 /nfs/dbraw/zinc/42/61/83/843426183.db2.gz URTJYCMKKXQFST-PMACEKPBSA-N 1 0 395.503 3.724 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000610663501 843450658 /nfs/dbraw/zinc/45/06/58/843450658.db2.gz HPSUHCUPYWIRAN-UHFFFAOYSA-N 1 0 380.517 3.847 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](C)Cn2cccn2)cc1OC ZINC000069786903 843463568 /nfs/dbraw/zinc/46/35/68/843463568.db2.gz ACWDMAYNHPCVAU-AWEZNQCLSA-N 1 0 394.313 3.645 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCCc2ccccn2)[n+]2ccccc2)c1 ZINC000171086690 861423855 /nfs/dbraw/zinc/42/38/55/861423855.db2.gz JNPDXQIAPPGGQR-UHFFFAOYSA-O 1 0 390.532 3.757 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418686128 843533119 /nfs/dbraw/zinc/53/31/19/843533119.db2.gz CAYMXRPOMSLWRG-CYBMUJFWSA-N 1 0 386.309 3.803 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCSCc1ccccc1C#N ZINC000043835648 843535240 /nfs/dbraw/zinc/53/52/40/843535240.db2.gz MENNCDNRRBBQOH-GOSISDBHSA-N 1 0 388.581 3.745 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3nc(-c4ccccc4)cs3)CC2)nc1 ZINC000105429498 843612683 /nfs/dbraw/zinc/61/26/83/843612683.db2.gz ZCSYXMJBNVWLSQ-UHFFFAOYSA-N 1 0 375.501 3.835 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000329442426 861437547 /nfs/dbraw/zinc/43/75/47/861437547.db2.gz NFTOGQCBSVTQHB-DLBZAZTESA-N 1 0 385.508 3.681 20 30 GHEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N(C)CCC1CCOCC1 ZINC000261656735 843642651 /nfs/dbraw/zinc/64/26/51/843642651.db2.gz AOQRBMAJPMEXPC-UHFFFAOYSA-N 1 0 380.945 3.774 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000471944951 843776285 /nfs/dbraw/zinc/77/62/85/843776285.db2.gz UJZMFIQNCLFKHE-PZJWPPBQSA-N 1 0 378.476 3.912 20 30 GHEDRO N#CCc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000563034296 843792882 /nfs/dbraw/zinc/79/28/82/843792882.db2.gz DSJIGKJCGWNXNF-UHFFFAOYSA-N 1 0 396.922 3.870 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1OCCCC#N ZINC000179045526 861460339 /nfs/dbraw/zinc/46/03/39/861460339.db2.gz RXQYWGHXEPALCS-OFNKIYASSA-N 1 0 379.504 3.913 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1OCCCC#N ZINC000179045514 861460367 /nfs/dbraw/zinc/46/03/67/861460367.db2.gz RXQYWGHXEPALCS-REWPJTCUSA-N 1 0 379.504 3.913 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ncccc1OCCCC#N)[NH+](C)C ZINC000481463016 861469796 /nfs/dbraw/zinc/46/97/96/861469796.db2.gz YABKHFLTRBAVKF-FXAWDEMLSA-N 1 0 395.507 3.886 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4nc(Cc5ccccc5)oc4c3)[C@H]2C1 ZINC000329461115 861476467 /nfs/dbraw/zinc/47/64/67/861476467.db2.gz SNWFAAURNFHDRU-XLIONFOSSA-N 1 0 390.487 3.990 20 30 GHEDRO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000433298981 843986186 /nfs/dbraw/zinc/98/61/86/843986186.db2.gz ARNVZXVAFZLPRV-HKARXFIJSA-N 1 0 387.487 3.902 20 30 GHEDRO CC(C)(C)C1CCC(O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433320334 844009736 /nfs/dbraw/zinc/00/97/36/844009736.db2.gz RUCVEEKBSGWUOX-UHFFFAOYSA-N 1 0 395.551 3.916 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000047011381 844679575 /nfs/dbraw/zinc/67/95/75/844679575.db2.gz BVJGTIQPXWNEBR-DYESRHJHSA-N 1 0 379.504 3.798 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512611903 844741869 /nfs/dbraw/zinc/74/18/69/844741869.db2.gz MSJKSXLYDJEOKK-GXTWGEPZSA-N 1 0 393.256 3.550 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000663913876 844889243 /nfs/dbraw/zinc/88/92/43/844889243.db2.gz JGWGALVJFXNFDF-QRQLOZEOSA-N 1 0 386.515 3.531 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000610976984 844965514 /nfs/dbraw/zinc/96/55/14/844965514.db2.gz OXRAUFSELLPEDB-QGZVFWFLSA-N 1 0 387.487 3.515 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cccc(-n4ccnc4)c3)C2)CC1 ZINC000329486957 861519161 /nfs/dbraw/zinc/51/91/61/861519161.db2.gz XQSPRGCJABWWHE-OAQYLSRUSA-N 1 0 395.551 3.730 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000151145593 844987880 /nfs/dbraw/zinc/98/78/80/844987880.db2.gz UVMJSOWEEQQCGB-MOPGFXCFSA-N 1 0 383.442 3.530 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000610984071 844996926 /nfs/dbraw/zinc/99/69/26/844996926.db2.gz XRJKVPJESZWJRM-OAQYLSRUSA-N 1 0 388.515 3.759 20 30 GHEDRO N#CCCC[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccccc1 ZINC000433024642 844999806 /nfs/dbraw/zinc/99/98/06/844999806.db2.gz YFEIEJBRORTHIN-IBGZPJMESA-N 1 0 398.894 3.792 20 30 GHEDRO CC(C)[C@H](C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[NH+]1CCCCC1 ZINC000329489115 861521480 /nfs/dbraw/zinc/52/14/80/861521480.db2.gz HJQTZECFZROKLA-AZUAARDMSA-N 1 0 399.514 3.866 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1ccccc1 ZINC000433029654 845017531 /nfs/dbraw/zinc/01/75/31/845017531.db2.gz CCEUHRKHQOJRDJ-LJQANCHMSA-N 1 0 393.516 3.956 20 30 GHEDRO N#CCCC[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000458831265 845102850 /nfs/dbraw/zinc/10/28/50/845102850.db2.gz GZBBUNIWFPQXNY-QFIPXVFZSA-N 1 0 398.551 3.565 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329492776 861536966 /nfs/dbraw/zinc/53/69/66/861536966.db2.gz ZTXGYZWWMRCJOD-INIZCTEOSA-N 1 0 379.508 3.907 20 30 GHEDRO COc1ccc2c(c1)C[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](c1ccccc1)C2 ZINC000179361080 861548018 /nfs/dbraw/zinc/54/80/18/861548018.db2.gz STTXPIVMYJQTIU-JOCHJYFZSA-N 1 0 377.488 3.557 20 30 GHEDRO CC[NH+]=C(NCc1nccn1C(F)F)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261982628 845196441 /nfs/dbraw/zinc/19/64/41/845196441.db2.gz PGGYQMNOWRIYIK-CQSZACIVSA-N 1 0 377.439 3.636 20 30 GHEDRO C[C@]1(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO[C@@H]1C1CC1 ZINC000329499434 861542506 /nfs/dbraw/zinc/54/25/06/861542506.db2.gz FTBSJGYDCCASQT-CTNGQTDRSA-N 1 0 391.943 3.766 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cnn(C(C)(C)C)c1 ZINC000657238238 845278073 /nfs/dbraw/zinc/27/80/73/845278073.db2.gz ORJUOQYZOJQPFT-UHFFFAOYSA-N 1 0 388.585 3.736 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2cc(C#N)c3ccccc3n2)CCOCC1)c1ccccc1 ZINC000433782740 845351569 /nfs/dbraw/zinc/35/15/69/845351569.db2.gz LPMNGWXOXXTKNR-GOSISDBHSA-N 1 0 386.499 3.840 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000513410939 845364512 /nfs/dbraw/zinc/36/45/12/845364512.db2.gz ICAZKDCUFBXDRD-AWEZNQCLSA-N 1 0 381.867 3.814 20 30 GHEDRO Cc1cc(-c2noc([C@@H](c3cc4ccccc4o3)N3CC[C@H]([NH3+])C3)n2)ccc1C#N ZINC001211779081 845445068 /nfs/dbraw/zinc/44/50/68/845445068.db2.gz RIUAZXBEARDSCD-GHTZIAJQSA-N 1 0 399.454 3.785 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1F ZINC000896757561 861576084 /nfs/dbraw/zinc/57/60/84/861576084.db2.gz CBGNZEXCZRAEKA-UHFFFAOYSA-N 1 0 395.434 3.539 20 30 GHEDRO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812196 845619185 /nfs/dbraw/zinc/61/91/85/845619185.db2.gz QSVURJAAXYQZLH-BBWFWOEESA-N 1 0 387.499 3.719 20 30 GHEDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000157046836 845820843 /nfs/dbraw/zinc/82/08/43/845820843.db2.gz ZTNIJBLXCSPEQQ-LPHOPBHVSA-N 1 0 382.533 3.543 20 30 GHEDRO CC[C@H](c1ccccc1)[NH+]1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC001167509380 845849917 /nfs/dbraw/zinc/84/99/17/845849917.db2.gz MPKRPJDERDBLPG-YADHBBJMSA-N 1 0 377.488 3.541 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000061399924 861615620 /nfs/dbraw/zinc/61/56/20/861615620.db2.gz XYOYVVAOPBLKIN-NRFANRHFSA-N 1 0 381.545 3.991 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000329554563 861649936 /nfs/dbraw/zinc/64/99/36/861649936.db2.gz BHGMENGZODOAHJ-OAHLLOKOSA-N 1 0 399.491 3.928 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(CC#N)cc2)CC1 ZINC000280128384 846308784 /nfs/dbraw/zinc/30/87/84/846308784.db2.gz VBVPMVHHKINEDT-UHFFFAOYSA-N 1 0 376.504 3.783 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC(c3c[nH]cn3)CC2)ccc1OC(F)(F)F ZINC000367017743 846375182 /nfs/dbraw/zinc/37/51/82/846375182.db2.gz SBMXBTLGXUTZJQ-UHFFFAOYSA-N 1 0 379.342 3.591 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183142988 846379536 /nfs/dbraw/zinc/37/95/36/846379536.db2.gz YNMNUYLSAQTRFK-AWEZNQCLSA-N 1 0 377.448 3.552 20 30 GHEDRO C=CCc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc(OC)c1OC ZINC000502743479 846418718 /nfs/dbraw/zinc/41/87/18/846418718.db2.gz FLUKKPGNDDCFTQ-UHFFFAOYSA-N 1 0 384.476 3.625 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)c(C#N)c1C ZINC000183171399 846437441 /nfs/dbraw/zinc/43/74/41/846437441.db2.gz FNNOZCXVJJBINI-CABCVRRESA-N 1 0 377.448 3.632 20 30 GHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673766984 861678696 /nfs/dbraw/zinc/67/86/96/861678696.db2.gz XAFMRXCUCBASNV-UHFFFAOYSA-N 1 0 382.467 3.836 20 30 GHEDRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)cc1C ZINC000280613959 846469661 /nfs/dbraw/zinc/46/96/61/846469661.db2.gz YBFPAPXJRFKYQH-UHFFFAOYSA-N 1 0 380.492 3.779 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000280729670 846513546 /nfs/dbraw/zinc/51/35/46/846513546.db2.gz CWLYOCUWMCIWGF-TTYHFUOFSA-N 1 0 380.492 3.760 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000551848702 846541904 /nfs/dbraw/zinc/54/19/04/846541904.db2.gz KJADBIJYCAXNLF-LJQANCHMSA-N 1 0 391.515 3.874 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000684782690 846553004 /nfs/dbraw/zinc/55/30/04/846553004.db2.gz OYXHJZKCTQFQGN-DXIQSLLYSA-N 1 0 386.536 3.651 20 30 GHEDRO COc1cc(C)c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000237278851 846649907 /nfs/dbraw/zinc/64/99/07/846649907.db2.gz RLIZOOBZTIFLLC-GOSISDBHSA-N 1 0 383.467 3.782 20 30 GHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419625064 846691463 /nfs/dbraw/zinc/69/14/63/846691463.db2.gz WAOAOAQVHMRGOO-HXUWFJFHSA-N 1 0 382.533 3.771 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1OC ZINC000414565055 846756770 /nfs/dbraw/zinc/75/67/70/846756770.db2.gz DRNBHMPYURNKFP-HIFRSBDPSA-N 1 0 384.314 3.663 20 30 GHEDRO C=C(C)[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(F)c1 ZINC000481569407 861748423 /nfs/dbraw/zinc/74/84/23/861748423.db2.gz KSVYPGBZNHSIGW-RBUKOAKNSA-N 1 0 387.386 3.885 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000272642145 847132133 /nfs/dbraw/zinc/13/21/33/847132133.db2.gz ONMHDRONGZVJLV-HKUYNNGSSA-N 1 0 386.540 3.772 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000273139687 847259286 /nfs/dbraw/zinc/25/92/86/847259286.db2.gz DQMAURLEVCFFNB-DJSMFCCRSA-N 1 0 388.515 3.566 20 30 GHEDRO C=CCN(CCOC)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001128542715 861775669 /nfs/dbraw/zinc/77/56/69/861775669.db2.gz HNEVJRAWCYKIFK-ILBGXUMGSA-N 1 0 392.543 3.737 20 30 GHEDRO CN(C(=O)C[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)C1(C#N)CCCCC1 ZINC000273371955 847319745 /nfs/dbraw/zinc/31/97/45/847319745.db2.gz BYNKIUZFTHIPFW-UXHICEINSA-N 1 0 387.499 3.662 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000501931632 847327474 /nfs/dbraw/zinc/32/74/74/847327474.db2.gz HBQLWHABMVNCAL-JOCHJYFZSA-N 1 0 379.504 3.730 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@@H]2C1 ZINC000582482784 847383712 /nfs/dbraw/zinc/38/37/12/847383712.db2.gz VWEDNXXQDNFNRH-SIKLNZKXSA-N 1 0 375.472 3.711 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000502148664 847521180 /nfs/dbraw/zinc/52/11/80/847521180.db2.gz NDJQVRGYPJVDNE-INIZCTEOSA-N 1 0 384.446 3.937 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000502276259 847680573 /nfs/dbraw/zinc/68/05/73/847680573.db2.gz NAHXZAGVRVSFRR-HSZRJFAPSA-N 1 0 388.515 3.968 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CCC2(C)C ZINC000421114368 847731308 /nfs/dbraw/zinc/73/13/08/847731308.db2.gz FZWOQDFJHDGEHU-UHFFFAOYSA-N 1 0 397.548 3.834 20 30 GHEDRO COc1cccc(C[N@H+](CCOc2cccc(C#N)c2)C2CCC(O)CC2)c1 ZINC000556301974 861831363 /nfs/dbraw/zinc/83/13/63/861831363.db2.gz UFORWJBPRXWEEI-UHFFFAOYSA-N 1 0 380.488 3.751 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000048091414 847879043 /nfs/dbraw/zinc/87/90/43/847879043.db2.gz SEUMWGPONHXJTH-UHFFFAOYSA-N 1 0 379.529 3.526 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000048809116 847912981 /nfs/dbraw/zinc/91/29/81/847912981.db2.gz RMAJEEWYQFBXJH-GOSISDBHSA-N 1 0 376.504 3.932 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc(OC)c1O ZINC000092783962 847957136 /nfs/dbraw/zinc/95/71/36/847957136.db2.gz SWMWZPCXRYSMRF-SFHVURJKSA-N 1 0 394.515 3.771 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329637963 861859793 /nfs/dbraw/zinc/85/97/93/861859793.db2.gz VWCQLVCRKIEJLO-VQTJNVASSA-N 1 0 379.508 3.648 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 ZINC000511183454 848086534 /nfs/dbraw/zinc/08/65/34/848086534.db2.gz BKTIFUXEAWLROE-MRXNPFEDSA-N 1 0 379.479 3.975 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COc1c(OC)cccc1OC)c1ccc(F)c(F)c1 ZINC000481617705 861866842 /nfs/dbraw/zinc/86/68/42/861866842.db2.gz WNIKALAGLHYSLD-QRWLVFNGSA-N 1 0 393.430 3.629 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c1 ZINC000582724208 848149564 /nfs/dbraw/zinc/14/95/64/848149564.db2.gz FIOBYUUKSFDIJG-SFHVURJKSA-N 1 0 383.442 3.755 20 30 GHEDRO N#CCCC[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000599919096 861879232 /nfs/dbraw/zinc/87/92/32/861879232.db2.gz GGZDIRGLEQWYDH-ULQDDVLXSA-N 1 0 382.430 3.590 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000604145151 861888284 /nfs/dbraw/zinc/88/82/84/861888284.db2.gz BYIAWAFGBRVRKV-CTNGQTDRSA-N 1 0 383.467 3.520 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000329640363 861890353 /nfs/dbraw/zinc/89/03/53/861890353.db2.gz ZTNODMNZBLZUHL-FPOVZHCZSA-N 1 0 383.536 3.601 20 30 GHEDRO COc1cc2cccnc2c(N(c2nc(OC)ccc2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001167613166 848326134 /nfs/dbraw/zinc/32/61/34/848326134.db2.gz IGDGOSKVAIEHLE-HNNXBMFYSA-N 1 0 391.475 3.784 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C1 ZINC000329646049 861894866 /nfs/dbraw/zinc/89/48/66/861894866.db2.gz ITYGPWDUZLQRPJ-MHTWAQMVSA-N 1 0 399.583 3.939 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000153347540 848395860 /nfs/dbraw/zinc/39/58/60/848395860.db2.gz KESIGXIOEMPUMS-UHFFFAOYSA-N 1 0 394.494 3.570 20 30 GHEDRO CC(C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C[NH+]1CCCC1 ZINC000481625346 861903340 /nfs/dbraw/zinc/90/33/40/861903340.db2.gz WOCOLEYAFQOYKV-UHFFFAOYSA-N 1 0 378.476 3.597 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)cc1OCCCC#N ZINC000119995436 848481070 /nfs/dbraw/zinc/48/10/70/848481070.db2.gz OCPRPCMREFAPOX-MRXNPFEDSA-N 1 0 396.487 4.000 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000180035001 861915921 /nfs/dbraw/zinc/91/59/21/861915921.db2.gz XNMZUJSEZDYDSU-HNNXBMFYSA-N 1 0 383.404 3.559 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1OC ZINC000657696631 848671199 /nfs/dbraw/zinc/67/11/99/848671199.db2.gz AOCLSGOPIBASGX-UHFFFAOYSA-N 1 0 396.325 3.663 20 30 GHEDRO N#Cc1cnc(CN2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)nc1 ZINC000582954258 848756947 /nfs/dbraw/zinc/75/69/47/848756947.db2.gz HQHXIWUXMMFEDL-UHFFFAOYSA-N 1 0 393.491 3.534 20 30 GHEDRO Cc1cc(NC(=O)CCc2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481653108 861956041 /nfs/dbraw/zinc/95/60/41/861956041.db2.gz UFIIMEXGPZVYFG-UHFFFAOYSA-N 1 0 390.531 3.968 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000583060601 848989309 /nfs/dbraw/zinc/98/93/09/848989309.db2.gz MVZUCKYFWXECBS-YMTQGWHGSA-N 1 0 392.503 3.696 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1 ZINC000123957656 849234797 /nfs/dbraw/zinc/23/47/97/849234797.db2.gz QALLJSGILQHTOX-UHFFFAOYSA-N 1 0 377.517 3.887 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000583230972 849380952 /nfs/dbraw/zinc/38/09/52/849380952.db2.gz GZFRSWINSYPEGT-AZUAARDMSA-N 1 0 397.567 3.772 20 30 GHEDRO N#CCSc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000728555468 849400474 /nfs/dbraw/zinc/40/04/74/849400474.db2.gz GPQJGTPGDOTTMQ-IBGZPJMESA-N 1 0 379.529 3.597 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000522533465 862041469 /nfs/dbraw/zinc/04/14/69/862041469.db2.gz AXRGZKQRVMUZMH-KZNAEPCWSA-N 1 0 395.503 3.826 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000504062362 849874016 /nfs/dbraw/zinc/87/40/16/849874016.db2.gz XRDXWEJWJRQQAR-UHFFFAOYSA-N 1 0 379.504 3.512 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505608368 850078767 /nfs/dbraw/zinc/07/87/67/850078767.db2.gz NIIPDUHIQPFEEN-WTNAPCKOSA-N 1 0 379.504 3.769 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(OC)c1 ZINC000505606863 850099081 /nfs/dbraw/zinc/09/90/81/850099081.db2.gz GXAGXPGDRUAFLQ-SBUREZEXSA-N 1 0 382.504 3.610 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000424077114 850189717 /nfs/dbraw/zinc/18/97/17/850189717.db2.gz NOVSVYGWSJVYPO-LBPRGKRZSA-N 1 0 379.283 3.532 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000424107106 850220157 /nfs/dbraw/zinc/22/01/57/850220157.db2.gz UFPLSLBEUWMOSX-MSOLQXFVSA-N 1 0 386.293 3.676 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000424114231 850227266 /nfs/dbraw/zinc/22/72/66/850227266.db2.gz QJPRQOOZSUCIIF-SFHVURJKSA-N 1 0 391.519 3.925 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC000424123187 850237400 /nfs/dbraw/zinc/23/74/00/850237400.db2.gz KHWIRHDXTAYPAJ-QGZVFWFLSA-N 1 0 399.882 3.621 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000424148260 850250143 /nfs/dbraw/zinc/25/01/43/850250143.db2.gz ZTNJJPFPYIOTLU-IBGZPJMESA-N 1 0 396.535 3.896 20 30 GHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000908668042 850259359 /nfs/dbraw/zinc/25/93/59/850259359.db2.gz TXJQCADUMNZUKI-UHFFFAOYSA-N 1 0 395.551 3.540 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000425310789 850269099 /nfs/dbraw/zinc/26/90/99/850269099.db2.gz YDQGVRODIHQQAE-FQEVSTJZSA-N 1 0 379.460 3.622 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(C#N)cc1 ZINC000504834841 850337150 /nfs/dbraw/zinc/33/71/50/850337150.db2.gz FJUUDHXAEBDPTI-JXFKEZNVSA-N 1 0 383.442 3.893 20 30 GHEDRO Cc1ccc(NC(=O)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000425375450 850497751 /nfs/dbraw/zinc/49/77/51/850497751.db2.gz ZQJYLHMDDLWICC-UHFFFAOYSA-N 1 0 382.895 3.717 20 30 GHEDRO C[C@H](Sc1cccc(F)c1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514989403 850581164 /nfs/dbraw/zinc/58/11/64/850581164.db2.gz JCJQBXSNCRSMIJ-RDJZCZTQSA-N 1 0 383.492 3.569 20 30 GHEDRO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000424666725 850612392 /nfs/dbraw/zinc/61/23/92/850612392.db2.gz OHOUOUQTCXOPNU-GOSISDBHSA-N 1 0 396.453 3.769 20 30 GHEDRO C[C@H](NC(NCCc1nnc2ccccn21)=[NH+]C1CC1)c1cccc2ccccc21 ZINC000899892599 862150656 /nfs/dbraw/zinc/15/06/56/862150656.db2.gz DSYKSURLTQFNSW-KRWDZBQOSA-N 1 0 398.514 3.884 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(CCC#N)CC2)[NH+](C)C)cc1 ZINC000519147021 850691898 /nfs/dbraw/zinc/69/18/98/850691898.db2.gz HKXLAZLIBSPQJF-NRFANRHFSA-N 1 0 386.540 3.802 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000515130868 850719102 /nfs/dbraw/zinc/71/91/02/850719102.db2.gz RISSCSKCJJLISX-RRPUWOKSSA-N 1 0 380.536 3.766 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000435671829 850759277 /nfs/dbraw/zinc/75/92/77/850759277.db2.gz FZIODMSECFVSIC-BWAGFHJFSA-N 1 0 380.488 3.946 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[NH+](C4CCCC4)CC3)s2)cc1 ZINC000515218664 850801122 /nfs/dbraw/zinc/80/11/22/850801122.db2.gz MJQRIUHZZDHWTH-UHFFFAOYSA-N 1 0 395.532 3.698 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435751116 850815900 /nfs/dbraw/zinc/81/59/00/850815900.db2.gz PQDAFUMOFGHHKH-KDOFPFPSSA-N 1 0 376.298 3.910 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)ccc1OCCO ZINC000515257426 850834265 /nfs/dbraw/zinc/83/42/65/850834265.db2.gz VJMODVCSRMFJRN-CYBMUJFWSA-N 1 0 394.393 3.808 20 30 GHEDRO C=CCC[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000435760039 850854683 /nfs/dbraw/zinc/85/46/83/850854683.db2.gz ATYCYQQQIHAEKD-VWNXMTODSA-N 1 0 393.531 3.630 20 30 GHEDRO C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262008423 850889646 /nfs/dbraw/zinc/88/96/46/850889646.db2.gz WBOZFAWRUKSPTP-MGPUTAFESA-N 1 0 398.942 3.719 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)COc1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000732293896 862195353 /nfs/dbraw/zinc/19/53/53/862195353.db2.gz SCTVXTIZVYHGBZ-NQIIRXRSSA-N 1 0 379.504 3.819 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000440318881 851058767 /nfs/dbraw/zinc/05/87/67/851058767.db2.gz VTOADTZQYBYOAY-UHFFFAOYSA-N 1 0 385.552 3.778 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@](C)(C#N)C(C)(C)C)C1 ZINC000436032271 851120552 /nfs/dbraw/zinc/12/05/52/851120552.db2.gz ZBOFYCVUOPZLJA-QHCPKHFHSA-N 1 0 380.536 3.852 20 30 GHEDRO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000425081791 851130684 /nfs/dbraw/zinc/13/06/84/851130684.db2.gz FATDABHLYIFILF-AWEZNQCLSA-N 1 0 379.426 3.820 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)C2)CC1 ZINC000329718093 862211846 /nfs/dbraw/zinc/21/18/46/862211846.db2.gz YGKNWYNAEFOVSV-QWFCFKBJSA-N 1 0 392.588 3.878 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCNc2c(C#N)cnc3c(F)cc(F)cc32)cc1 ZINC000488178579 851230031 /nfs/dbraw/zinc/23/00/31/851230031.db2.gz OFGGTMYICACBJK-UHFFFAOYSA-N 1 0 396.441 3.980 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000515641571 851287263 /nfs/dbraw/zinc/28/72/63/851287263.db2.gz XYIOLLMPRWFVRK-CALCHBBNSA-N 1 0 397.954 3.755 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000514233897 851436882 /nfs/dbraw/zinc/43/68/82/851436882.db2.gz GQDHRGLYEWXZAW-LJQANCHMSA-N 1 0 377.488 3.599 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000473571312 851570444 /nfs/dbraw/zinc/57/04/44/851570444.db2.gz ONAFOXPYSFCKIE-NRFANRHFSA-N 1 0 378.944 3.897 20 30 GHEDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1-c1cccc(C#N)c1 ZINC000505496240 851577157 /nfs/dbraw/zinc/57/71/57/851577157.db2.gz RCIUFBKFPQQAIN-UHFFFAOYSA-N 1 0 399.498 3.578 20 30 GHEDRO CC(C)(C)C[N@H+](CCCO)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000303413990 851613781 /nfs/dbraw/zinc/61/37/81/851613781.db2.gz VPJABEJONNBTIC-UHFFFAOYSA-N 1 0 377.554 3.558 20 30 GHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)n1 ZINC000329740651 862283319 /nfs/dbraw/zinc/28/33/19/862283319.db2.gz OCDSKBOWOFYWQN-ZWKOTPCHSA-N 1 0 386.540 3.727 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000184255283 851819356 /nfs/dbraw/zinc/81/93/56/851819356.db2.gz OEYBUSJDETUIPF-UHFFFAOYSA-N 1 0 394.475 3.917 20 30 GHEDRO C=CCCn1cc(CN2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000664836477 851836942 /nfs/dbraw/zinc/83/69/42/851836942.db2.gz KNACKHGKSIULEM-QHCPKHFHSA-N 1 0 393.579 3.977 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489044213 851962048 /nfs/dbraw/zinc/96/20/48/851962048.db2.gz PEKIVCLHYXNLEH-HXUWFJFHSA-N 1 0 389.503 3.878 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489045484 851964228 /nfs/dbraw/zinc/96/42/28/851964228.db2.gz SBVHTXPOQNWQIC-HXUWFJFHSA-N 1 0 389.503 3.878 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000506176361 852028838 /nfs/dbraw/zinc/02/88/38/852028838.db2.gz XPIPEWAXAURWTD-AUSIDOKSSA-N 1 0 399.535 3.510 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1Cl ZINC000329771026 862312520 /nfs/dbraw/zinc/31/25/20/862312520.db2.gz GMKQOCJUGMMKMT-SFHVURJKSA-N 1 0 380.879 3.937 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438152881 852065680 /nfs/dbraw/zinc/06/56/80/852065680.db2.gz JCNFQIBYYJHLQD-JOCHJYFZSA-N 1 0 398.551 3.513 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)N2CCN(c3ccccc3)CC2)cc1OC ZINC000517535290 852084816 /nfs/dbraw/zinc/08/48/16/852084816.db2.gz BBJSHZGNTQCMKC-FQEVSTJZSA-N 1 0 395.547 3.560 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438177713 852095561 /nfs/dbraw/zinc/09/55/61/852095561.db2.gz LBDQZTBBVMRISS-QAPCUYQASA-N 1 0 394.475 3.963 20 30 GHEDRO C[C@]1(NC(=O)Nc2ncccc2OCCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000517572438 852126019 /nfs/dbraw/zinc/12/60/19/852126019.db2.gz GDHRDRKAAPKCOK-QFIPXVFZSA-N 1 0 393.491 3.550 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000517658343 852215826 /nfs/dbraw/zinc/21/58/26/852215826.db2.gz HRKOMEKQUPHFEF-AVRDEDQJSA-N 1 0 379.504 3.598 20 30 GHEDRO C[C@H](CSc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000517662558 852236024 /nfs/dbraw/zinc/23/60/24/852236024.db2.gz ZHUHISQPTYJVIN-GOSISDBHSA-N 1 0 381.545 3.877 20 30 GHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1ccc2c(c1)OCCCO2 ZINC000329811893 862338247 /nfs/dbraw/zinc/33/82/47/862338247.db2.gz MXZMWLFSRUIACD-IPMKNSEASA-N 1 0 388.508 3.842 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000489376381 852279804 /nfs/dbraw/zinc/27/98/04/852279804.db2.gz WEXOENZYLSEZMC-NRFANRHFSA-N 1 0 377.488 3.549 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000505884049 852367109 /nfs/dbraw/zinc/36/71/09/852367109.db2.gz VQTXVYFWTPVWJE-UHFFFAOYSA-N 1 0 393.531 3.900 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000438428348 852387912 /nfs/dbraw/zinc/38/79/12/852387912.db2.gz GQUGAGUIKHQNGH-AQYVVDRMSA-N 1 0 394.494 3.717 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000329829181 862352666 /nfs/dbraw/zinc/35/26/66/862352666.db2.gz JRZZCAHDTWXEOC-OAQYLSRUSA-N 1 0 395.551 3.921 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438443066 852427447 /nfs/dbraw/zinc/42/74/47/852427447.db2.gz KZZIJKCFLCHKTD-YJMBLLCNSA-N 1 0 385.552 3.835 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1 ZINC000429176948 862357692 /nfs/dbraw/zinc/35/76/92/862357692.db2.gz ZCYHXGZYMFLJSU-YLJYHZDGSA-N 1 0 388.920 3.818 20 30 GHEDRO COc1cc2c(cc1NC(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)NC(=O)CC2 ZINC000329835107 862358527 /nfs/dbraw/zinc/35/85/27/862358527.db2.gz LXOQBGCWBQGPGD-KXBFYZLASA-N 1 0 398.507 3.724 20 30 GHEDRO CC(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000436890608 852464626 /nfs/dbraw/zinc/46/46/26/852464626.db2.gz CINHDPMMZFEJGH-UHFFFAOYSA-N 1 0 377.488 3.804 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000425646083 852465788 /nfs/dbraw/zinc/46/57/88/852465788.db2.gz AXGDPQKCDQQPAC-QGZVFWFLSA-N 1 0 386.565 3.622 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000517821119 852476231 /nfs/dbraw/zinc/47/62/31/852476231.db2.gz PYELOXDJQJVLQD-UHFFFAOYSA-N 1 0 390.462 3.692 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000329838500 862361209 /nfs/dbraw/zinc/36/12/09/862361209.db2.gz VSHINTUUZZURQM-TZMRYXNNSA-N 1 0 386.536 3.598 20 30 GHEDRO C=CCC[C@@H](C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000489685372 852510297 /nfs/dbraw/zinc/51/02/97/852510297.db2.gz VKKQIDPSTXSMSK-HSZRJFAPSA-N 1 0 383.580 3.753 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000163313077 862366992 /nfs/dbraw/zinc/36/69/92/862366992.db2.gz VUYVHVQXLPWEMU-IBGZPJMESA-N 1 0 395.503 3.828 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CC[C@]2(CCOC2)C1 ZINC000261955835 852594640 /nfs/dbraw/zinc/59/46/40/852594640.db2.gz IRLIIDHLHUQGLB-QFIPXVFZSA-N 1 0 398.482 3.591 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](F)(c3cc(C)cc(F)c3)C2)CC1 ZINC000507179400 852630147 /nfs/dbraw/zinc/63/01/47/852630147.db2.gz KEWIJOIMVUYOIF-OAQYLSRUSA-N 1 0 377.479 3.755 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Cc1c(F)cccc1C#N)[NH+]1CCCCC1 ZINC000507170673 852640831 /nfs/dbraw/zinc/64/08/31/852640831.db2.gz PRXLFDKDGFODNB-OAQYLSRUSA-N 1 0 395.478 3.592 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000556880714 862383506 /nfs/dbraw/zinc/38/35/06/862383506.db2.gz QKMVWIHTYWNIOC-TUNNFDKTSA-N 1 0 380.488 3.887 20 30 GHEDRO COC[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(F)c(F)c1 ZINC000437079431 852706054 /nfs/dbraw/zinc/70/60/54/852706054.db2.gz CORFRBFJQYRYER-UHYCVJNDSA-N 1 0 387.430 3.899 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437112366 852749002 /nfs/dbraw/zinc/74/90/02/852749002.db2.gz UAGNSQNZLBLFSN-IJNIYJAUSA-N 1 0 396.466 3.789 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490079284 852751671 /nfs/dbraw/zinc/75/16/71/852751671.db2.gz KBTUXXZVYVGLDE-GOSISDBHSA-N 1 0 392.503 3.935 20 30 GHEDRO N#CCCC1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000519599459 852762504 /nfs/dbraw/zinc/76/25/04/852762504.db2.gz IPKTUJQFRHYDRV-UHFFFAOYSA-N 1 0 386.565 3.826 20 30 GHEDRO C=CCN(CC1CCCCC1)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CC=C ZINC000669033047 852788991 /nfs/dbraw/zinc/78/89/91/852788991.db2.gz FCQQUVHBTDHAGI-UXHICEINSA-N 1 0 385.556 3.573 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000507329291 852797747 /nfs/dbraw/zinc/79/77/47/852797747.db2.gz KKZWRLSZCPVLKO-XMSQKQJNSA-N 1 0 394.519 3.628 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000507329287 852798803 /nfs/dbraw/zinc/79/88/03/852798803.db2.gz KKZWRLSZCPVLKO-GCJKJVERSA-N 1 0 394.519 3.628 20 30 GHEDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000329884108 862396118 /nfs/dbraw/zinc/39/61/18/862396118.db2.gz RYMSLNQZMNFUSK-HXUWFJFHSA-N 1 0 398.551 3.570 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[NH+](CC(C)C)CC2)c1=S ZINC000151053581 852999750 /nfs/dbraw/zinc/99/97/50/852999750.db2.gz OVVLMKKUBDCOJT-UHFFFAOYSA-N 1 0 385.581 3.807 20 30 GHEDRO O=C(CCn1ccnc1)Nc1cccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)c1 ZINC000329912771 862418337 /nfs/dbraw/zinc/41/83/37/862418337.db2.gz BLQMXGMCXUQZDT-JOCHJYFZSA-N 1 0 396.491 3.594 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)c(F)c1 ZINC000507621789 853098277 /nfs/dbraw/zinc/09/82/77/853098277.db2.gz CSDCLXUPGLDROP-FZKQIMNGSA-N 1 0 379.414 3.761 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000507644142 853145261 /nfs/dbraw/zinc/14/52/61/853145261.db2.gz KLUXZIHFTICIJS-UHFFFAOYSA-N 1 0 377.488 3.878 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516916419 853153955 /nfs/dbraw/zinc/15/39/55/853153955.db2.gz BIBMBIRZYSZCGC-HXOBKFHXSA-N 1 0 376.504 3.975 20 30 GHEDRO C=CCn1c(=S)n(CN2CCN(c3cc[nH+]cc3)CC2)nc1-c1cccs1 ZINC000151206663 853160387 /nfs/dbraw/zinc/16/03/87/853160387.db2.gz TWHJUADGZXNXQK-UHFFFAOYSA-N 1 0 398.561 3.503 20 30 GHEDRO COc1cccc(N2C[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2=O)c1 ZINC000507661419 853161538 /nfs/dbraw/zinc/16/15/38/853161538.db2.gz UGXOBXHIJGOMJF-VIHQBZHPSA-N 1 0 389.499 3.794 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)CC2)c1 ZINC000507709570 853211577 /nfs/dbraw/zinc/21/15/77/853211577.db2.gz ULIATJJRQDBHDT-UHFFFAOYSA-N 1 0 395.453 3.649 20 30 GHEDRO C[NH+](C)CCNc1cc(Br)cc(C#N)c1NC(=O)OC(C)(C)C ZINC001161671308 853279318 /nfs/dbraw/zinc/27/93/18/853279318.db2.gz PMZCSALFIFTBGO-UHFFFAOYSA-N 1 0 383.290 3.641 20 30 GHEDRO CC(C)[C@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCCCC1 ZINC000518428512 853335973 /nfs/dbraw/zinc/33/59/73/853335973.db2.gz UKGNNUQZVKOTHJ-QETWGEEDSA-N 1 0 383.536 3.875 20 30 GHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCC#N)c2cc(F)ccc2F)c1 ZINC000491056966 853429939 /nfs/dbraw/zinc/42/99/39/853429939.db2.gz CTHCZUWVHIRPLC-LJQANCHMSA-N 1 0 378.444 3.741 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)o1 ZINC000491148539 853457932 /nfs/dbraw/zinc/45/79/32/853457932.db2.gz QSMHBUCCTZOZRU-IBGZPJMESA-N 1 0 378.476 3.585 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccccc1Br ZINC000151478406 853477501 /nfs/dbraw/zinc/47/75/01/853477501.db2.gz FQWSPYOTAFTROL-LJQANCHMSA-N 1 0 389.293 3.503 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000586776190 853517278 /nfs/dbraw/zinc/51/72/78/853517278.db2.gz KROQQMXHZWULMZ-RFWXGWTQSA-N 1 0 394.515 3.974 20 30 GHEDRO CCc1ccc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)cc1 ZINC000586784713 853546500 /nfs/dbraw/zinc/54/65/00/853546500.db2.gz VJDRJSWATISLDE-PKTZIBPZSA-N 1 0 378.516 3.934 20 30 GHEDRO C[C@H]1C[C@@H]1c1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000732762887 862481111 /nfs/dbraw/zinc/48/11/11/862481111.db2.gz CHMJMNLHQVXIIG-JXFKEZNVSA-N 1 0 396.560 3.866 20 30 GHEDRO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000519907997 853599628 /nfs/dbraw/zinc/59/96/28/853599628.db2.gz AGCNVCAAESPLSY-SFHVURJKSA-N 1 0 379.504 3.902 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506565557 853622851 /nfs/dbraw/zinc/62/28/51/853622851.db2.gz VPJUQNKOFYJXPK-QZNHQXDQSA-N 1 0 386.580 3.741 20 30 GHEDRO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000518709423 853671740 /nfs/dbraw/zinc/67/17/40/853671740.db2.gz WZIWAINVLFQCCP-UNMCSNQZSA-N 1 0 390.531 3.972 20 30 GHEDRO Cc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000329994869 862489616 /nfs/dbraw/zinc/48/96/16/862489616.db2.gz MORMTQSZCARPPY-OXQOHEQNSA-N 1 0 383.540 3.624 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1 ZINC000517348356 853696581 /nfs/dbraw/zinc/69/65/81/853696581.db2.gz GUKUEPCSOCBZHW-LJQANCHMSA-N 1 0 376.460 3.917 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NCc3ccc(O[C@@H](C)C#N)cc3)cc2)CC1 ZINC000156353087 853707128 /nfs/dbraw/zinc/70/71/28/853707128.db2.gz XDEGUEMIZSYIKF-IBGZPJMESA-N 1 0 378.520 3.727 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000570996831 853710347 /nfs/dbraw/zinc/71/03/47/853710347.db2.gz AUEKYAXVSXINBK-LJQANCHMSA-N 1 0 377.444 3.924 20 30 GHEDRO C=CCc1cc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c(OC)c1 ZINC000164276500 853804165 /nfs/dbraw/zinc/80/41/65/853804165.db2.gz OVWAMTAGYNZQPU-FQEVSTJZSA-N 1 0 375.415 3.981 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC1CCC(C#N)CC1)c1cccc(OC)c1 ZINC000441009658 853828948 /nfs/dbraw/zinc/82/89/48/853828948.db2.gz MRVKHQRJRNYMFM-WIXQSORDSA-N 1 0 386.540 3.707 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441218947 853993068 /nfs/dbraw/zinc/99/30/68/853993068.db2.gz VCJQTFSETIQHJE-KZNAEPCWSA-N 1 0 387.549 3.768 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C2CC2)cc1 ZINC000571811656 854164946 /nfs/dbraw/zinc/16/49/46/854164946.db2.gz XRUFXLGIWMJSPV-UHFFFAOYSA-N 1 0 376.508 3.606 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000330074348 862556247 /nfs/dbraw/zinc/55/62/47/862556247.db2.gz CTVCDKOWODDDKE-HXUWFJFHSA-N 1 0 381.524 3.723 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328665035 854495995 /nfs/dbraw/zinc/49/59/95/854495995.db2.gz YZESFLQCYLDCRJ-GDBMZVCRSA-N 1 0 393.413 3.844 20 30 GHEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328722421 854503895 /nfs/dbraw/zinc/50/38/95/854503895.db2.gz XMVBJBUVHXJCHX-QHAWAJNXSA-N 1 0 397.567 3.751 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000328724117 854504633 /nfs/dbraw/zinc/50/46/33/854504633.db2.gz SRJJGOBOHIYRKO-QGZVFWFLSA-N 1 0 393.959 3.624 20 30 GHEDRO C#CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000156956538 854533856 /nfs/dbraw/zinc/53/38/56/854533856.db2.gz MVEUFDQMTJPCSB-SIKLNZKXSA-N 1 0 376.500 3.824 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000328893943 854599531 /nfs/dbraw/zinc/59/95/31/854599531.db2.gz USQNDFMVMJFWIL-OAQYLSRUSA-N 1 0 395.551 3.935 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(-c2noc(C)n2)c1)C(C)C ZINC000520438209 854606086 /nfs/dbraw/zinc/60/60/86/854606086.db2.gz KIAUJFWJNPKPMG-LJQANCHMSA-N 1 0 383.496 3.865 20 30 GHEDRO C#CCNC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nc1 ZINC000732912088 862587539 /nfs/dbraw/zinc/58/75/39/862587539.db2.gz JKBZYNVLQIQSBM-RTBURBONSA-N 1 0 390.531 3.535 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000458911030 854656810 /nfs/dbraw/zinc/65/68/10/854656810.db2.gz ZKAMHCUCEKGADH-FQEVSTJZSA-N 1 0 382.533 3.724 20 30 GHEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330135446 862604544 /nfs/dbraw/zinc/60/45/44/862604544.db2.gz MUZDVYKYVOIDFJ-WIRSXHRWSA-N 1 0 382.508 3.698 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(C(=O)NC4CC4)cc3)CC2)c(F)c1 ZINC000589188468 854739247 /nfs/dbraw/zinc/73/92/47/854739247.db2.gz YGFBYRLWCFMKIV-UHFFFAOYSA-N 1 0 393.462 3.633 20 30 GHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000330966586 854784554 /nfs/dbraw/zinc/78/45/54/854784554.db2.gz AZXYMWZCHFSGCD-CQSZACIVSA-N 1 0 393.329 3.825 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)C[C@H]1C ZINC000330140899 862609481 /nfs/dbraw/zinc/60/94/81/862609481.db2.gz XGPNKKQRABGBAH-IMFGXOCKSA-N 1 0 375.513 3.595 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C[C@@H]1C ZINC000331252642 854832985 /nfs/dbraw/zinc/83/29/85/854832985.db2.gz UQTSZWQVDBNZII-HOCLYGCPSA-N 1 0 376.501 3.707 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000572766857 855009103 /nfs/dbraw/zinc/00/91/03/855009103.db2.gz OUMKORKHMQUOBF-UHFFFAOYSA-N 1 0 392.551 3.778 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000589573549 855016466 /nfs/dbraw/zinc/01/64/66/855016466.db2.gz DIZBVJGYQIYCHM-MRXNPFEDSA-N 1 0 380.448 3.778 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CCC1CCCCC1 ZINC000669334477 855034390 /nfs/dbraw/zinc/03/43/90/855034390.db2.gz GFULWECGFQJHTK-UXHICEINSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC000669336076 855038050 /nfs/dbraw/zinc/03/80/50/855038050.db2.gz VBMVKZSQZSVSFU-SXLOBPIMSA-N 1 0 387.572 3.795 20 30 GHEDRO Cc1ccc(-c2csc(NC(=O)CN3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000330172956 862633725 /nfs/dbraw/zinc/63/37/25/862633725.db2.gz GXQCXQHLGQKSQK-IAGOWNOFSA-N 1 0 389.546 3.913 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000671871820 855094647 /nfs/dbraw/zinc/09/46/47/855094647.db2.gz JZRDOOZBQPKGCG-DEOSSOPVSA-N 1 0 376.500 3.990 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000589739454 855129253 /nfs/dbraw/zinc/12/92/53/855129253.db2.gz PCEMJZQBKFYGGE-UHFFFAOYSA-N 1 0 383.492 3.904 20 30 GHEDRO CC(C)([C@H](NC(=O)c1cccc(C#N)n1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000589791740 855145960 /nfs/dbraw/zinc/14/59/60/855145960.db2.gz AZQRXAJBPBKFHZ-LJQANCHMSA-N 1 0 384.430 3.577 20 30 GHEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000330198603 862655932 /nfs/dbraw/zinc/65/59/32/862655932.db2.gz UICXKQDMWFHTPL-DZGCQCFKSA-N 1 0 388.418 3.866 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000330207620 862662011 /nfs/dbraw/zinc/66/20/11/862662011.db2.gz AJECFNOORQASHK-WWNPGLIZSA-N 1 0 399.579 3.623 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107529600 855465741 /nfs/dbraw/zinc/46/57/41/855465741.db2.gz HUQPPHRETYYGHX-FQEVSTJZSA-N 1 0 393.487 3.821 20 30 GHEDRO C[N@H+](CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465639563 855468167 /nfs/dbraw/zinc/46/81/67/855468167.db2.gz VOXFUZONYBTKHU-PKTZIBPZSA-N 1 0 390.531 3.990 20 30 GHEDRO C=CC(C)(C)CCNC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000624160368 862689793 /nfs/dbraw/zinc/68/97/93/862689793.db2.gz RYIVHJQVWDAJOU-UHFFFAOYSA-N 1 0 386.540 3.511 20 30 GHEDRO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)cc1 ZINC000330253181 862696043 /nfs/dbraw/zinc/69/60/43/862696043.db2.gz ITUMHHRPVALAJJ-WJFJTQNHSA-N 1 0 399.579 3.855 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056845958 855694013 /nfs/dbraw/zinc/69/40/13/855694013.db2.gz ASRQDWHJZNFOIM-UHFFFAOYSA-N 1 0 382.483 3.583 20 30 GHEDRO N#Cc1ccc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000301502895 855705355 /nfs/dbraw/zinc/70/53/55/855705355.db2.gz HIMYIRZUNYXBCK-UHFFFAOYSA-N 1 0 383.499 3.888 20 30 GHEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301522939 855710061 /nfs/dbraw/zinc/71/00/61/855710061.db2.gz GLQQRYADOFZWEM-UHFFFAOYSA-N 1 0 396.457 3.616 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2snc(Cl)c2C#N)CCOCC1)c1ccccc1 ZINC000301559616 855715200 /nfs/dbraw/zinc/71/52/00/855715200.db2.gz IMGJVJBOBPDNPJ-CYBMUJFWSA-N 1 0 376.913 3.980 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000520618617 855814428 /nfs/dbraw/zinc/81/44/28/855814428.db2.gz HJHSNZGANYUQJL-QFIPXVFZSA-N 1 0 398.551 3.622 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057202879 855816569 /nfs/dbraw/zinc/81/65/69/855816569.db2.gz OOEPCMYMYWSKKR-QFIPXVFZSA-N 1 0 378.520 3.653 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000302105362 855816891 /nfs/dbraw/zinc/81/68/91/855816891.db2.gz NEWBRODRLRLKGF-HSZRJFAPSA-N 1 0 376.504 3.552 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2cnc(C#N)cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302300199 855850646 /nfs/dbraw/zinc/85/06/46/855850646.db2.gz PVWPDGNOXLLVRB-RDTXWAMCSA-N 1 0 375.398 3.862 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC[NH2+]CC1 ZINC000591277175 855880098 /nfs/dbraw/zinc/88/00/98/855880098.db2.gz HSXXOHFGWSWSSN-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC000591278293 855881173 /nfs/dbraw/zinc/88/11/73/855881173.db2.gz KWNXQKSCZNMYKC-ZTNFWEORSA-N 1 0 380.879 3.821 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N[C@H](C#N)c1ccccc1Br)c1ccccc1 ZINC000591317355 855907468 /nfs/dbraw/zinc/90/74/68/855907468.db2.gz FNVHBJLOGFLZOB-QZTJIDSGSA-N 1 0 386.293 3.823 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N[C@H](C#N)c1ccccc1Br)c1ccccc1 ZINC000591317354 855907602 /nfs/dbraw/zinc/90/76/02/855907602.db2.gz FNVHBJLOGFLZOB-MSOLQXFVSA-N 1 0 386.293 3.823 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000520140608 856075707 /nfs/dbraw/zinc/07/57/07/856075707.db2.gz WDWSJCVBAHVFEN-BEFAXECRSA-N 1 0 385.895 3.614 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000171447319 856141042 /nfs/dbraw/zinc/14/10/42/856141042.db2.gz BFJWLSIABUQMJL-UHFFFAOYSA-N 1 0 397.523 3.767 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000591763690 856231921 /nfs/dbraw/zinc/23/19/21/856231921.db2.gz BQYASEAMHUNYCM-GOSISDBHSA-N 1 0 384.277 3.926 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000171709559 856239274 /nfs/dbraw/zinc/23/92/74/856239274.db2.gz XZAGXBPXSHSHGN-UHFFFAOYSA-N 1 0 397.494 3.854 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508903391 856378708 /nfs/dbraw/zinc/37/87/08/856378708.db2.gz OQZYRQGBUJHZJE-PMACEKPBSA-N 1 0 397.567 3.933 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000058274205 856420067 /nfs/dbraw/zinc/42/00/67/856420067.db2.gz KODWQQGVXNVHJN-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000485378978 856435053 /nfs/dbraw/zinc/43/50/53/856435053.db2.gz DUOIXQUTPDJDAA-FCHUYYIVSA-N 1 0 375.472 3.729 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000485416637 856463397 /nfs/dbraw/zinc/46/33/97/856463397.db2.gz UCTOGVZUZQTSPX-PGYGGLOZSA-N 1 0 375.472 3.596 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000624842656 856464136 /nfs/dbraw/zinc/46/41/36/856464136.db2.gz XPUQWLNFILRQAG-QEUVDIPISA-N 1 0 395.551 3.803 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000624842603 856490898 /nfs/dbraw/zinc/49/08/98/856490898.db2.gz WWRBLIYEUOTOIF-SFHLNBCPSA-N 1 0 395.551 3.662 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000172831530 856626383 /nfs/dbraw/zinc/62/63/83/856626383.db2.gz QPVRIDDYPKPDIM-SFHVURJKSA-N 1 0 381.476 3.677 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000281053916 862822925 /nfs/dbraw/zinc/82/29/25/862822925.db2.gz YFDKRNKRDZHMGZ-YADHBBJMSA-N 1 0 385.552 3.542 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Cl)s1 ZINC000105418454 856724772 /nfs/dbraw/zinc/72/47/72/856724772.db2.gz ZIXAPCJJXWDPNN-UHFFFAOYSA-N 1 0 377.897 3.517 20 30 GHEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000111055622 856760854 /nfs/dbraw/zinc/76/08/54/856760854.db2.gz SGYDIKRPLAHNAS-RTBURBONSA-N 1 0 379.508 3.877 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](O)[C@H]3CCc3ccccc3)o2)cc1 ZINC000592166191 856766400 /nfs/dbraw/zinc/76/64/00/856766400.db2.gz HYEPCDPMEUJXAR-NHCUHLMSSA-N 1 0 388.471 3.566 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)NCc1cccs1 ZINC000592374918 856788017 /nfs/dbraw/zinc/78/80/17/856788017.db2.gz QNHFLEPORLIYRU-INIZCTEOSA-N 1 0 381.423 3.823 20 30 GHEDRO N#Cc1ccc(CNC(=O)CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000573965937 856832447 /nfs/dbraw/zinc/83/24/47/856832447.db2.gz LVCMTOUHNNONEP-NRFANRHFSA-N 1 0 379.529 3.572 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C#N)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000245539841 856937888 /nfs/dbraw/zinc/93/78/88/856937888.db2.gz HZDWLNOQLDJEHZ-YADHBBJMSA-N 1 0 375.472 3.583 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)NCCSCc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000245627600 857021745 /nfs/dbraw/zinc/02/17/45/857021745.db2.gz GXNFGILSBSCILE-LEWJYISDSA-N 1 0 394.544 3.536 20 30 GHEDRO Cc1cc2ncn(C[C@H](O)C[N@H+](Cc3ccc(C#N)cc3)C(C)C)c2cc1C ZINC000063750354 857050574 /nfs/dbraw/zinc/05/05/74/857050574.db2.gz INOFWESTHDJTRL-OAQYLSRUSA-N 1 0 376.504 3.796 20 30 GHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]2CCCO2)c1 ZINC000064400514 857143852 /nfs/dbraw/zinc/14/38/52/857143852.db2.gz IMDHXFCFSWGWQA-IBGZPJMESA-N 1 0 399.516 3.638 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173858827 857169308 /nfs/dbraw/zinc/16/93/08/857169308.db2.gz FYHUJDCAMHJASY-LSDHHAIUSA-N 1 0 383.423 3.540 20 30 GHEDRO CC(C)(C#N)c1ccccc1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000593067780 857183215 /nfs/dbraw/zinc/18/32/15/857183215.db2.gz MCZMDYMWMHXBNJ-BJKOFHAPSA-N 1 0 389.543 3.963 20 30 GHEDRO CCN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000157697180 857227999 /nfs/dbraw/zinc/22/79/99/857227999.db2.gz DVFVXBJTEPOUFB-IBGZPJMESA-N 1 0 396.466 3.856 20 30 GHEDRO Cc1cccc([C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000120983925 857261781 /nfs/dbraw/zinc/26/17/81/857261781.db2.gz KIIQWAKPPQIDCY-IBGZPJMESA-N 1 0 378.520 3.744 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000174595502 857347828 /nfs/dbraw/zinc/34/78/28/857347828.db2.gz OZOGEOJPEWTLRC-HXUWFJFHSA-N 1 0 387.483 3.877 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[NH2+]C34CCCC4)cn2)cc1 ZINC000592422894 857387974 /nfs/dbraw/zinc/38/79/74/857387974.db2.gz OEFWMBZTURPZKO-GOSISDBHSA-N 1 0 377.448 3.542 20 30 GHEDRO Cc1cc(NC(=O)c2ccsc2C#N)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000907081945 857472352 /nfs/dbraw/zinc/47/23/52/857472352.db2.gz YTOKVRICXFEDRA-KRWDZBQOSA-N 1 0 391.500 3.824 20 30 GHEDRO C=CCC1(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCC1 ZINC000593413197 857553466 /nfs/dbraw/zinc/55/34/66/857553466.db2.gz VBQHBUXANRLNRQ-UHFFFAOYSA-N 1 0 380.536 3.958 20 30 GHEDRO C=CCSc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000486249825 857579929 /nfs/dbraw/zinc/57/99/29/857579929.db2.gz KPAJOSWHVFIUSS-MJGOQNOKSA-N 1 0 376.566 3.832 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)c1cc2ccccc2n1CC#N)c1ccc(Cl)cc1 ZINC000593699813 857661840 /nfs/dbraw/zinc/66/18/40/857661840.db2.gz CIIRKIJUQNYPCR-SFHVURJKSA-N 1 0 394.906 3.893 20 30 GHEDRO C=CCN1CC[C@H]([NH+]2CCC(C)(c3cccc(Br)c3)CC2)C1=O ZINC000499597625 857678063 /nfs/dbraw/zinc/67/80/63/857678063.db2.gz CQYHFLWSEUZDIT-KRWDZBQOSA-N 1 0 377.326 3.590 20 30 GHEDRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521187570 857725133 /nfs/dbraw/zinc/72/51/33/857725133.db2.gz RJWZSGAAFVSNJW-AWEZNQCLSA-N 1 0 375.394 3.886 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000676536866 857930608 /nfs/dbraw/zinc/93/06/08/857930608.db2.gz CNAQATKDYGYXBS-LJQANCHMSA-N 1 0 396.535 3.535 20 30 GHEDRO CC1(C)CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000330337032 862983579 /nfs/dbraw/zinc/98/35/79/862983579.db2.gz ZTFDEIJFUMMNBJ-HBMCJLEFSA-N 1 0 385.552 3.681 20 30 GHEDRO CC(C)(C)C1CCC(C#N)(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000594341048 858098830 /nfs/dbraw/zinc/09/88/30/858098830.db2.gz DQYTUNLTIKYAKO-WBTXTPOCSA-N 1 0 377.598 3.819 20 30 GHEDRO C=CCCCN(C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000466069773 858119245 /nfs/dbraw/zinc/11/92/45/858119245.db2.gz JTAFSBSUKJRBMG-UHFFFAOYSA-N 1 0 398.473 3.565 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114683293 858167606 /nfs/dbraw/zinc/16/76/06/858167606.db2.gz WNLYAYMFSOSJBY-HXUWFJFHSA-N 1 0 391.515 3.987 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000114691064 858167640 /nfs/dbraw/zinc/16/76/40/858167640.db2.gz XZGSFWSUBMWXDP-UHFFFAOYSA-N 1 0 391.515 3.941 20 30 GHEDRO COc1cccc([C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2Cl)c1 ZINC000594433072 858175279 /nfs/dbraw/zinc/17/52/79/858175279.db2.gz KSZKTLNLWDZKAT-PMACEKPBSA-N 1 0 385.895 3.965 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000594434305 858177430 /nfs/dbraw/zinc/17/74/30/858177430.db2.gz MYNZFHXAHKYFLY-NRFANRHFSA-N 1 0 377.488 3.956 20 30 GHEDRO C[C@H]1Cc2cc(-c3ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc3)ccc2O1 ZINC000594447198 858179652 /nfs/dbraw/zinc/17/96/52/858179652.db2.gz VDOFMBHVKBFMTO-KKSFZXQISA-N 1 0 377.488 3.704 20 30 GHEDRO CC(C)N1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594447546 858179668 /nfs/dbraw/zinc/17/96/68/858179668.db2.gz YJJOJKSEIZXDAY-QYZOEREBSA-N 1 0 394.922 3.530 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000594456522 858181485 /nfs/dbraw/zinc/18/14/85/858181485.db2.gz PPSBHTWECFPAEZ-MSOLQXFVSA-N 1 0 399.470 3.731 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000521663652 858197528 /nfs/dbraw/zinc/19/75/28/858197528.db2.gz DIEIDXVUXGYOIQ-MSOLQXFVSA-N 1 0 392.341 3.645 20 30 GHEDRO CC(C)(C#N)c1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc1 ZINC000594606256 858239796 /nfs/dbraw/zinc/23/97/96/858239796.db2.gz HROLIADIFLNNHD-UHFFFAOYSA-N 1 0 392.547 3.607 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)c1 ZINC000594932417 858304275 /nfs/dbraw/zinc/30/42/75/858304275.db2.gz PKOQRDJOTJPKAA-LJQANCHMSA-N 1 0 391.515 3.875 20 30 GHEDRO C[C@H](COc1c(F)cccc1F)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000594973664 858336407 /nfs/dbraw/zinc/33/64/07/858336407.db2.gz PGVZLLXLUSMLIA-MRXNPFEDSA-N 1 0 385.458 3.858 20 30 GHEDRO Cc1c(Br)cncc1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000594947834 858342671 /nfs/dbraw/zinc/34/26/71/858342671.db2.gz GUQKBJDKFJUMBV-UHFFFAOYSA-N 1 0 399.336 3.778 20 30 GHEDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000594959466 858345592 /nfs/dbraw/zinc/34/55/92/858345592.db2.gz DJWZTPPAVRQPBH-CLHVYKLBSA-N 1 0 382.529 3.917 20 30 GHEDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000594963857 858347387 /nfs/dbraw/zinc/34/73/87/858347387.db2.gz KOYSUWQZZQJOSV-WMTXJRDZSA-N 1 0 394.515 3.793 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)CCOCC2)c1 ZINC000594985026 858357416 /nfs/dbraw/zinc/35/74/16/858357416.db2.gz SKBXVROWUMHYAA-HSZRJFAPSA-N 1 0 392.499 3.912 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000595060669 858367274 /nfs/dbraw/zinc/36/72/74/858367274.db2.gz NRYPSTASHLISJQ-AWEZNQCLSA-N 1 0 386.293 3.870 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(OCc4ccccn4)c3)CC2)nc1 ZINC000067010998 858394979 /nfs/dbraw/zinc/39/49/79/858394979.db2.gz RFZWCPGGQMNPAK-UHFFFAOYSA-N 1 0 399.498 3.686 20 30 GHEDRO CCOc1cc(CN(C)CC(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000046776895 858488267 /nfs/dbraw/zinc/48/82/67/858488267.db2.gz GSWUHWZEFWHXAD-UHFFFAOYSA-N 1 0 389.402 3.629 20 30 GHEDRO CC[NH+](CC)CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000067575401 858620978 /nfs/dbraw/zinc/62/09/78/858620978.db2.gz XMUBFHSLPDJMEQ-UHFFFAOYSA-N 1 0 380.492 3.909 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000595638364 858628368 /nfs/dbraw/zinc/62/83/68/858628368.db2.gz BTKRZQMFKKKVFV-UHFFFAOYSA-N 1 0 391.393 3.598 20 30 GHEDRO N#CC1CCC(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595607894 858629146 /nfs/dbraw/zinc/62/91/46/858629146.db2.gz YYNARPBKBAKSAC-QETWGEEDSA-N 1 0 394.563 3.918 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1nccs1 ZINC000159827690 863048467 /nfs/dbraw/zinc/04/84/67/863048467.db2.gz GSSBDIPWLUUBGP-UHFFFAOYSA-N 1 0 376.913 3.950 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000593112700 858658189 /nfs/dbraw/zinc/65/81/89/858658189.db2.gz SVJVRQRMUWBRRC-QGZVFWFLSA-N 1 0 376.378 3.596 20 30 GHEDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595771737 858665941 /nfs/dbraw/zinc/66/59/41/858665941.db2.gz CUKDTKFOEWTEJM-KRWDZBQOSA-N 1 0 395.478 3.512 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000595820378 858682208 /nfs/dbraw/zinc/68/22/08/858682208.db2.gz WMHLIFGLMZHUKK-RPCJCACASA-N 1 0 386.515 3.692 20 30 GHEDRO CC(C)[C@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000595775777 858683878 /nfs/dbraw/zinc/68/38/78/858683878.db2.gz YGKZNFSTUVJZPR-QHCPKHFHSA-N 1 0 391.515 3.667 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)ccc1OCc1cccc(C#N)c1 ZINC000595784420 858686350 /nfs/dbraw/zinc/68/63/50/858686350.db2.gz VKNVPVJZZATVTB-FGZHOGPDSA-N 1 0 378.472 3.539 20 30 GHEDRO C=CCCCN(CC)C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000895187712 858709446 /nfs/dbraw/zinc/70/94/46/858709446.db2.gz FXXLCGSIOCULFE-UHFFFAOYSA-N 1 0 386.540 3.607 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000183516927 858764444 /nfs/dbraw/zinc/76/44/44/858764444.db2.gz HSDARTSHCXYIBV-IBGZPJMESA-N 1 0 398.551 3.887 20 30 GHEDRO CC(C)(NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000596169138 858812284 /nfs/dbraw/zinc/81/22/84/858812284.db2.gz FYKYQSCGQULWGY-UHFFFAOYSA-N 1 0 394.494 3.896 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)sc2c1CCC2 ZINC000060090363 858847603 /nfs/dbraw/zinc/84/76/03/858847603.db2.gz WQARXNWJEMPATB-INIZCTEOSA-N 1 0 399.516 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)CCO2 ZINC000922207899 858928205 /nfs/dbraw/zinc/92/82/05/858928205.db2.gz LBPNOPZSIWVAJG-FQEVSTJZSA-N 1 0 399.535 3.791 20 30 GHEDRO Cc1cc(C)cc(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000060197285 858933587 /nfs/dbraw/zinc/93/35/87/858933587.db2.gz WWYVHOXWHQVDAX-UHFFFAOYSA-N 1 0 394.519 3.565 20 30 GHEDRO CN1CC[NH+](Cc2ccccc2-c2ccc(C3(C#N)CCOCC3)cc2)CC1 ZINC000596640091 858992223 /nfs/dbraw/zinc/99/22/23/858992223.db2.gz ZXHCNRNDLUAMQT-UHFFFAOYSA-N 1 0 375.516 3.673 20 30 GHEDRO C=CCC(F)(F)C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923168692 859096095 /nfs/dbraw/zinc/09/60/95/859096095.db2.gz RDELFXMGFGZHAH-SFHVURJKSA-N 1 0 378.463 3.528 20 30 GHEDRO CCCc1c(NC(=O)N(CC)[C@H]2CC[N@H+](CC)C2)cnn1-c1cccc(C#N)c1 ZINC000596854837 859099701 /nfs/dbraw/zinc/09/97/01/859099701.db2.gz SHZPJJXVDBIVMA-IBGZPJMESA-N 1 0 394.523 3.644 20 30 GHEDRO C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000189009641 881384394 /nfs/dbraw/zinc/38/43/94/881384394.db2.gz OZWUVDYJXJFOSS-FQEVSTJZSA-N 1 0 379.932 3.952 20 30 GHEDRO C=CCC1([NH2+]Cc2nnnn2-c2ccccc2Br)CCCCC1 ZINC000625936786 859188284 /nfs/dbraw/zinc/18/82/84/859188284.db2.gz XKXKYKZLSVINAQ-UHFFFAOYSA-N 1 0 376.302 3.793 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000466357383 859217530 /nfs/dbraw/zinc/21/75/30/859217530.db2.gz NFZGFJANAFYVOH-QFIPXVFZSA-N 1 0 376.460 3.959 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597002534 859219395 /nfs/dbraw/zinc/21/93/95/859219395.db2.gz DINOIABOBMTVFX-UHFFFAOYSA-N 1 0 387.455 3.946 20 30 GHEDRO Cc1cc(C[N@@H+](Cc2cc(C#N)n(C)c2)CC(C)C)nc(N2CCCCC2)n1 ZINC000483294950 859277046 /nfs/dbraw/zinc/27/70/46/859277046.db2.gz XEHSDYZPLAXJCP-UHFFFAOYSA-N 1 0 380.540 3.644 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000483306395 859283677 /nfs/dbraw/zinc/28/36/77/859283677.db2.gz TXJDQIGUOQQJLI-JXFKEZNVSA-N 1 0 377.479 3.955 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000764246012 859309130 /nfs/dbraw/zinc/30/91/30/859309130.db2.gz HNYNPXVMHRYUNO-FQEVSTJZSA-N 1 0 380.621 3.652 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000593298278 859327289 /nfs/dbraw/zinc/32/72/89/859327289.db2.gz ZOQBLSOMSJERFD-UHFFFAOYSA-N 1 0 392.547 3.791 20 30 GHEDRO CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477628 859332137 /nfs/dbraw/zinc/33/21/37/859332137.db2.gz IOOLCJXHFBFTIN-QGZVFWFLSA-N 1 0 395.503 3.617 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccc(C#N)cc1F ZINC000429439373 859373338 /nfs/dbraw/zinc/37/33/38/859373338.db2.gz DDZNCAUCPNMWSK-HIFRSBDPSA-N 1 0 391.284 3.962 20 30 GHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2oc(C)nc2C)[n+]2ccccc2)c1 ZINC000764435133 859448265 /nfs/dbraw/zinc/44/82/65/859448265.db2.gz XVPFWFSJPBQTIA-UHFFFAOYSA-O 1 0 376.461 3.884 20 30 GHEDRO COc1cc(Br)c(C[NH2+]CCc2cccc(C#N)c2)cc1OC ZINC000466424773 859449271 /nfs/dbraw/zinc/44/92/71/859449271.db2.gz XVUVHENAQAAKSK-UHFFFAOYSA-N 1 0 375.266 3.670 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3ccc4[nH]ccc4c3)CC2)c1 ZINC000593350243 859523401 /nfs/dbraw/zinc/52/34/01/859523401.db2.gz CTMVHEDQRLAFNC-UHFFFAOYSA-N 1 0 386.499 3.753 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(Cc4ccc(F)cc4)CC3)CC2)c1 ZINC000593350233 859523565 /nfs/dbraw/zinc/52/35/65/859523565.db2.gz COWRXOKGOGIALS-UHFFFAOYSA-N 1 0 391.490 3.801 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)n2CC2CC2)cc1 ZINC000597426865 859528408 /nfs/dbraw/zinc/52/84/08/859528408.db2.gz LQUIEMJQHDAZDY-UHFFFAOYSA-N 1 0 398.514 3.549 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)COc3ccc4ccccc4c3)CC2)c1 ZINC000593352281 859534114 /nfs/dbraw/zinc/53/41/14/859534114.db2.gz FIYZBJPQJSFKHO-UHFFFAOYSA-N 1 0 399.494 3.871 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2Cc3cccc(C#N)c3C2)[C@H]1c1cccs1 ZINC000593353668 859548896 /nfs/dbraw/zinc/54/88/96/859548896.db2.gz MQVSZNJDLHAWRI-UZLBHIALSA-N 1 0 380.517 3.728 20 30 GHEDRO Cc1ccc(OCCCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593354121 859551121 /nfs/dbraw/zinc/55/11/21/859551121.db2.gz XECFMEOZQAMYND-UHFFFAOYSA-N 1 0 391.515 3.807 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(c4cccc(F)c4)CCC3)CC2)c1 ZINC000593355163 859558065 /nfs/dbraw/zinc/55/80/65/859558065.db2.gz MHJQJVVFPYQIKF-UHFFFAOYSA-N 1 0 391.490 3.900 20 30 GHEDRO C#CCN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000764725066 859582386 /nfs/dbraw/zinc/58/23/86/859582386.db2.gz JZJTYOCHIKSNPA-APWZRJJASA-N 1 0 393.453 3.896 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000474212225 859605694 /nfs/dbraw/zinc/60/56/94/859605694.db2.gz WYYVRSHTUXOHOF-OAHLLOKOSA-N 1 0 381.442 3.893 20 30 GHEDRO N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)c1 ZINC000611213110 859646196 /nfs/dbraw/zinc/64/61/96/859646196.db2.gz MYXWGLSIWZOAQC-UHFFFAOYSA-N 1 0 399.498 3.864 20 30 GHEDRO Cc1cc(F)ccc1CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593371624 859652016 /nfs/dbraw/zinc/65/20/16/859652016.db2.gz NXQDOAVUDSCORW-UHFFFAOYSA-N 1 0 394.494 3.512 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000611225394 859656991 /nfs/dbraw/zinc/65/69/91/859656991.db2.gz POOWWVJWOIUCJG-HOTGVXAUSA-N 1 0 388.581 3.632 20 30 GHEDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000597603883 859663561 /nfs/dbraw/zinc/66/35/61/859663561.db2.gz FYEMHQSZHAXXKC-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000611266691 859673913 /nfs/dbraw/zinc/67/39/13/859673913.db2.gz WQDQOXHVXFGLIH-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO C[C@@H](O)[C@@](C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000552065671 859689280 /nfs/dbraw/zinc/68/92/80/859689280.db2.gz JRQATOLDUJKYAP-NTKDMRAZSA-N 1 0 377.532 3.746 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1C#N ZINC000611347942 859722694 /nfs/dbraw/zinc/72/26/94/859722694.db2.gz NEEKUYRRAQQIIX-JOCHJYFZSA-N 1 0 385.515 3.759 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cccc4cc[nH]c43)CC2)c1 ZINC000593397506 859726571 /nfs/dbraw/zinc/72/65/71/859726571.db2.gz WMYKMKWBXXLEJI-UHFFFAOYSA-N 1 0 387.487 3.503 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1cccc(C#N)c1 ZINC000611388212 859733249 /nfs/dbraw/zinc/73/32/49/859733249.db2.gz YTMSCGHELRHHBA-QGZVFWFLSA-N 1 0 379.479 3.976 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000611393087 859735698 /nfs/dbraw/zinc/73/56/98/859735698.db2.gz IDKMLYUIZITPSK-GLYQVZKVSA-N 1 0 375.516 3.815 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+][C@H]3CCCc4cc(C#N)ccc43)C2)cc(OC)c1 ZINC000611393858 859735755 /nfs/dbraw/zinc/73/57/55/859735755.db2.gz PHYITHHUDRXLCO-YKSBVNFPSA-N 1 0 391.515 3.817 20 30 GHEDRO COC[C@@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1cccc(C(F)(F)F)c1 ZINC000611396612 859736927 /nfs/dbraw/zinc/73/69/27/859736927.db2.gz BRFVBTFRBBQPMF-QGZVFWFLSA-N 1 0 394.393 3.942 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000611391373 859741304 /nfs/dbraw/zinc/74/13/04/859741304.db2.gz KCJZKOYNZWFAJU-GGAORHGYSA-N 1 0 389.499 3.634 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CCCOc3ccc(C#N)cc3)C2)C1 ZINC000765034983 859742005 /nfs/dbraw/zinc/74/20/05/859742005.db2.gz UKJUNHYDRGOFFZ-JOCHJYFZSA-N 1 0 385.508 3.660 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000611410464 859744316 /nfs/dbraw/zinc/74/43/16/859744316.db2.gz UOLKWIMDXSRPHO-NRFANRHFSA-N 1 0 393.918 3.976 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3c(F)c(F)cc(F)c3F)CC2)cc1 ZINC000611438709 859761413 /nfs/dbraw/zinc/76/14/13/859761413.db2.gz PYZYBKIBLKREDL-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000593418031 859794872 /nfs/dbraw/zinc/79/48/72/859794872.db2.gz RVMRSEOVEVIPCV-FYYLOGMGSA-N 1 0 388.515 3.626 20 30 GHEDRO C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611512967 859795304 /nfs/dbraw/zinc/79/53/04/859795304.db2.gz JQFYSKVCDYGPDH-SVMVAKDDSA-N 1 0 376.504 3.829 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602176557 859835722 /nfs/dbraw/zinc/83/57/22/859835722.db2.gz JYOGUWGQKSDIPU-UHFFFAOYSA-N 1 0 388.515 3.780 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000895715903 859859410 /nfs/dbraw/zinc/85/94/10/859859410.db2.gz CVRDYUCXZCPPQL-NRFANRHFSA-N 1 0 393.535 3.887 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(F)c(C(=O)c2ccccc2)c1 ZINC000640698859 859904176 /nfs/dbraw/zinc/90/41/76/859904176.db2.gz OULGHZSVVSCMTJ-UHFFFAOYSA-N 1 0 396.466 3.756 20 30 GHEDRO CN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474365123 859918941 /nfs/dbraw/zinc/91/89/41/859918941.db2.gz GSHPVCHZFHHTOQ-IBGZPJMESA-N 1 0 379.508 3.853 20 30 GHEDRO CCOc1c(OC)cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1OC ZINC000091792562 859933935 /nfs/dbraw/zinc/93/39/35/859933935.db2.gz GHVHLBQSKNXQSB-UHFFFAOYSA-N 1 0 395.503 3.686 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000484307559 859934003 /nfs/dbraw/zinc/93/40/03/859934003.db2.gz LGKVDLUWZODHBS-NRFANRHFSA-N 1 0 393.487 3.705 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000602322354 859954032 /nfs/dbraw/zinc/95/40/32/859954032.db2.gz WLDQISRIOQFHGU-RRQGHBQHSA-N 1 0 382.430 3.690 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@@H]([NH+]3CCCC3)C2)c1=S ZINC000727170536 859982961 /nfs/dbraw/zinc/98/29/61/859982961.db2.gz XVDXUBYMFUNUTP-GOSISDBHSA-N 1 0 387.528 3.534 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000895828694 859992587 /nfs/dbraw/zinc/99/25/87/859992587.db2.gz XHTGWOYMASODIK-UHFFFAOYSA-N 1 0 377.536 3.914 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)cc1 ZINC000474418224 860019112 /nfs/dbraw/zinc/01/91/12/860019112.db2.gz UOKJKJZSDHIFBQ-CQSZACIVSA-N 1 0 381.480 3.584 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)n1 ZINC000602455906 860039642 /nfs/dbraw/zinc/03/96/42/860039642.db2.gz ZDZDODJWMPHRSG-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000054224645 860043113 /nfs/dbraw/zinc/04/31/13/860043113.db2.gz IORHRRLFDHOVRN-PXNSSMCTSA-N 1 0 380.488 3.825 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCc4c3cccc4Cl)CC2)c1 ZINC000593512181 860079700 /nfs/dbraw/zinc/07/97/00/860079700.db2.gz LSDWQRHHUNMGQQ-UHFFFAOYSA-N 1 0 394.906 3.948 20 30 GHEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513174 860083092 /nfs/dbraw/zinc/08/30/92/860083092.db2.gz YFXBOSVKPHCZEF-ZNLUXHQJSA-N 1 0 380.536 3.885 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000602548125 860094670 /nfs/dbraw/zinc/09/46/70/860094670.db2.gz WWTHXZANJOIIQR-SJORKVTESA-N 1 0 377.479 3.618 20 30 GHEDRO Cc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C ZINC000593515007 860094947 /nfs/dbraw/zinc/09/49/47/860094947.db2.gz DMBCBEOANMGDAC-UHFFFAOYSA-N 1 0 390.531 3.981 20 30 GHEDRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(C#N)n1 ZINC000598148842 860099375 /nfs/dbraw/zinc/09/93/75/860099375.db2.gz WSSFZYDCXMCFQF-UHFFFAOYSA-N 1 0 384.911 3.981 20 30 GHEDRO CC(C)(NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1F ZINC000593516197 860109520 /nfs/dbraw/zinc/10/95/20/860109520.db2.gz MKBISSPHGNPAQQ-UHFFFAOYSA-N 1 0 394.494 3.896 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602560027 860111997 /nfs/dbraw/zinc/11/19/97/860111997.db2.gz HQLRKGWCFMCFAP-UNEWFSDZSA-N 1 0 378.314 3.565 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@H](F)c3ccc(C(F)(F)F)cc3)no1)C2 ZINC000904116026 860144739 /nfs/dbraw/zinc/14/47/39/860144739.db2.gz GAMHTSZIJHXPGW-USRBBDPCSA-N 1 0 380.345 3.754 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)c1)O[C@@H](C)C2 ZINC000092854287 860147198 /nfs/dbraw/zinc/14/71/98/860147198.db2.gz JAKVHDPHGKUGCU-VMEOHVCESA-N 1 0 393.487 3.765 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000602621753 860161379 /nfs/dbraw/zinc/16/13/79/860161379.db2.gz QCHWQHLYHFZYRK-CVEARBPZSA-N 1 0 381.442 3.973 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1OCC ZINC000544365350 860198995 /nfs/dbraw/zinc/19/89/95/860198995.db2.gz HSUFQHBVGONCRK-UXLLHSPISA-N 1 0 396.325 3.615 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508948077 860209897 /nfs/dbraw/zinc/20/98/97/860209897.db2.gz BYFZIPNMJHGLBU-UHFFFAOYSA-N 1 0 395.551 3.806 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C1(c3ccc(C#N)cc3)CCOCC1)CC2 ZINC000602724190 860236061 /nfs/dbraw/zinc/23/60/61/860236061.db2.gz KPPUGTONGZDALT-FQEVSTJZSA-N 1 0 378.472 3.858 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000668370204 860258534 /nfs/dbraw/zinc/25/85/34/860258534.db2.gz QBOBLKLYFBIZMQ-UHFFFAOYSA-N 1 0 382.327 3.762 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)C2CC[NH+](C3CC3)CC2)n(-c2ccc(C#N)cc2)n1 ZINC000328974315 860266236 /nfs/dbraw/zinc/26/62/36/860266236.db2.gz CIYGRRBCOMIALY-UHFFFAOYSA-N 1 0 391.519 3.854 20 30 GHEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000922603713 860304319 /nfs/dbraw/zinc/30/43/19/860304319.db2.gz UIESLPVGWYRXRB-LEWJYISDSA-N 1 0 398.551 3.706 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508964452 860305063 /nfs/dbraw/zinc/30/50/63/860305063.db2.gz UQWORUYHSRYVKO-LJQANCHMSA-N 1 0 382.556 3.562 20 30 GHEDRO N#CCCCn1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000598558552 860394996 /nfs/dbraw/zinc/39/49/96/860394996.db2.gz QNKHPLRJYHUZKR-IBGZPJMESA-N 1 0 378.520 3.797 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583603 881536497 /nfs/dbraw/zinc/53/64/97/881536497.db2.gz LIAGJNUUGLBZBK-HXUWFJFHSA-N 1 0 384.911 3.712 20 30 GHEDRO C[NH+](C)CCN(Cc1ccnn1CCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000598673218 860508955 /nfs/dbraw/zinc/50/89/55/860508955.db2.gz WRBQERXOPANVIB-UHFFFAOYSA-N 1 0 387.531 3.561 20 30 GHEDRO C#CCCC1(CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)N=N1 ZINC001168555995 860595951 /nfs/dbraw/zinc/59/59/51/860595951.db2.gz XFCQLJXTGRPGOU-KBPBESRZSA-N 1 0 388.434 3.872 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170383282 881559141 /nfs/dbraw/zinc/55/91/41/881559141.db2.gz KETIIQSUPMLOQM-SDVQCAHRSA-N 1 0 381.520 3.845 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000125408097 860659083 /nfs/dbraw/zinc/65/90/83/860659083.db2.gz ZFKWZEMWUUEDFU-QVYZHRQISA-N 1 0 390.531 3.753 20 30 GHEDRO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000076800351 860680906 /nfs/dbraw/zinc/68/09/06/860680906.db2.gz KXEPPPYPZDYAGQ-NQIIRXRSSA-N 1 0 376.504 3.783 20 30 GHEDRO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000076800346 860684664 /nfs/dbraw/zinc/68/46/64/860684664.db2.gz KXEPPPYPZDYAGQ-RXVVDRJESA-N 1 0 376.504 3.783 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655780431 860688450 /nfs/dbraw/zinc/68/84/50/860688450.db2.gz YURUAUYFMBSDEV-AEFFLSMTSA-N 1 0 376.298 3.766 20 30 GHEDRO CC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125750578 860765062 /nfs/dbraw/zinc/76/50/62/860765062.db2.gz QIHCUOUQIGDVSM-JTSKRJEESA-N 1 0 395.478 3.680 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cccc(F)c3C#N)C2)ccn1 ZINC000856604959 881582434 /nfs/dbraw/zinc/58/24/34/881582434.db2.gz UUVDAFLRYHONJM-HXUWFJFHSA-N 1 0 382.483 3.586 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CC2)c1 ZINC000593686946 860848700 /nfs/dbraw/zinc/84/87/00/860848700.db2.gz AYHAUSYJAMKGDB-UHFFFAOYSA-N 1 0 397.906 3.737 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3c[nH]nc3-c3ccsc3)CC2)c1 ZINC000593692611 860856496 /nfs/dbraw/zinc/85/64/96/860856496.db2.gz GXPLYRQISWRLLK-UHFFFAOYSA-N 1 0 377.517 3.764 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(Cl)c1OC ZINC000593692816 860861377 /nfs/dbraw/zinc/86/13/77/860861377.db2.gz KLIYUOREMWVXMV-UHFFFAOYSA-N 1 0 399.922 3.983 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000730108150 860866485 /nfs/dbraw/zinc/86/64/85/860866485.db2.gz BWSCSNHSPYFRBS-LJQANCHMSA-N 1 0 386.540 3.773 20 30 GHEDRO Cc1ccc2occ(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2c1 ZINC000599198707 860908642 /nfs/dbraw/zinc/90/86/42/860908642.db2.gz ORRLAHYRUJHZOT-UHFFFAOYSA-N 1 0 375.472 3.746 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C(=O)NCC)cc2)cc1OC ZINC000623358319 860916574 /nfs/dbraw/zinc/91/65/74/860916574.db2.gz ZOYNBQSUFWMFEO-UHFFFAOYSA-N 1 0 388.895 3.953 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593702253 860928593 /nfs/dbraw/zinc/92/85/93/860928593.db2.gz KODCHZWKMVXZJO-KRWDZBQOSA-N 1 0 394.494 3.669 20 30 GHEDRO C=C[C@@H](CC(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)c1ccccc1 ZINC000856632292 881601922 /nfs/dbraw/zinc/60/19/22/881601922.db2.gz SGMXKCAXFMAWLV-WMZHIEFXSA-N 1 0 393.531 3.873 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)C12CCOCC2 ZINC000329023663 860953735 /nfs/dbraw/zinc/95/37/35/860953735.db2.gz UNRDDOVCOOSKJM-JKSUJKDBSA-N 1 0 397.313 3.601 20 30 GHEDRO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329050966 860978700 /nfs/dbraw/zinc/97/87/00/860978700.db2.gz WJXOOKCGQOFYHG-GOSISDBHSA-N 1 0 395.613 3.935 20 30 GHEDRO C=CC[C@@H](C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)c1ccccc1 ZINC000856629761 881600527 /nfs/dbraw/zinc/60/05/27/881600527.db2.gz QTCMSTKATDFQBG-XZOQPEGZSA-N 1 0 393.531 3.873 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CCOCC1 ZINC000599255947 860987974 /nfs/dbraw/zinc/98/79/74/860987974.db2.gz GFSACCWVQVOVSY-FYYLOGMGSA-N 1 0 376.500 3.705 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)CCOCC1 ZINC000599260834 860990659 /nfs/dbraw/zinc/99/06/59/860990659.db2.gz KNXHUMOIYFAXIB-QGZVFWFLSA-N 1 0 385.533 3.547 20 30 GHEDRO CC(C)c1ccc(OC2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000599262787 860993280 /nfs/dbraw/zinc/99/32/80/860993280.db2.gz AAGHXFDXTUGRAF-FQEVSTJZSA-N 1 0 386.536 3.725 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329119109 861036044 /nfs/dbraw/zinc/03/60/44/861036044.db2.gz OXYNREIXBPKVKE-CGVQKBNFSA-N 1 0 387.568 3.635 20 30 GHEDRO Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000329182361 861113971 /nfs/dbraw/zinc/11/39/71/861113971.db2.gz NRVUVLZOVPVJDR-INIZCTEOSA-N 1 0 383.540 3.959 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)cc1OC ZINC000623492420 861115956 /nfs/dbraw/zinc/11/59/56/861115956.db2.gz YIQYGANMVHFVKR-QWFCFKBJSA-N 1 0 381.900 3.730 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599359514 861123905 /nfs/dbraw/zinc/12/39/05/861123905.db2.gz RJXXRJLYNYEIQE-QAPCUYQASA-N 1 0 385.533 3.841 20 30 GHEDRO Cc1cc(NC(=O)Cc2ccc(Br)cc2C#N)ccc1C[NH+](C)C ZINC000593739632 861123966 /nfs/dbraw/zinc/12/39/66/861123966.db2.gz FMQIYFWTMIFNMI-UHFFFAOYSA-N 1 0 386.293 3.872 20 30 GHEDRO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537628824 881617752 /nfs/dbraw/zinc/61/77/52/881617752.db2.gz DOWJJDXBERDOPF-KRWDZBQOSA-N 1 0 393.491 3.737 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000329213256 861152034 /nfs/dbraw/zinc/15/20/34/861152034.db2.gz JDCIHVORSWAPRK-KGLIPLIRSA-N 1 0 384.446 3.740 20 30 GHEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599440558 861188701 /nfs/dbraw/zinc/18/87/01/861188701.db2.gz VNFUWPVVDZDBIS-GOSISDBHSA-N 1 0 384.442 3.641 20 30 GHEDRO C=C(Br)CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000733647330 863095860 /nfs/dbraw/zinc/09/58/60/863095860.db2.gz WTTNTZCCRNOJOC-HNNXBMFYSA-N 1 0 380.330 3.858 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000439671467 863145038 /nfs/dbraw/zinc/14/50/38/863145038.db2.gz JQWMRLFNRSDGGH-MORSLUCNSA-N 1 0 375.900 3.866 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000733804111 863171728 /nfs/dbraw/zinc/17/17/28/863171728.db2.gz XTDXNCLBSTXERG-QUCCMNQESA-N 1 0 386.540 3.821 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508462398 863349007 /nfs/dbraw/zinc/34/90/07/863349007.db2.gz WCHJRIFJDJTFMS-HKUYNNGSSA-N 1 0 399.514 3.808 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000594000093 863708006 /nfs/dbraw/zinc/70/80/06/863708006.db2.gz ALSAUWBZOSEORE-LJQANCHMSA-N 1 0 390.531 3.897 20 30 GHEDRO COc1cccc(C2CC[NH+](Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)c1 ZINC000172608750 863801512 /nfs/dbraw/zinc/80/15/12/863801512.db2.gz YUHJFQNTXVQAQR-UHFFFAOYSA-N 1 0 387.487 3.971 20 30 GHEDRO C[C@H](C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)CO)c1ccccc1 ZINC000554284346 864044246 /nfs/dbraw/zinc/04/42/46/864044246.db2.gz MTBDOXNQCVGJIC-CVEARBPZSA-N 1 0 385.895 3.637 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)CC1 ZINC000607183395 864146300 /nfs/dbraw/zinc/14/63/00/864146300.db2.gz FJTFGVRISZJDOS-QHCPKHFHSA-N 1 0 393.531 3.894 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)ccc1OC ZINC000237421195 864285405 /nfs/dbraw/zinc/28/54/05/864285405.db2.gz VKPSYPQSCRBPKG-QFIPXVFZSA-N 1 0 396.531 3.813 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000920137655 881751077 /nfs/dbraw/zinc/75/10/77/881751077.db2.gz MBCJGNCVNNCRSO-SFHVURJKSA-N 1 0 394.471 3.796 20 30 GHEDRO CCOC(=O)C1(C#N)CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056791 864332648 /nfs/dbraw/zinc/33/26/48/864332648.db2.gz IOXYEBLFXONGGT-CEQLMSFQSA-N 1 0 383.536 3.597 20 30 GHEDRO C=CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000734658339 864374464 /nfs/dbraw/zinc/37/44/64/864374464.db2.gz RZLBFIZQWQAXDM-OAQYLSRUSA-N 1 0 378.520 3.835 20 30 GHEDRO CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262450553 864488369 /nfs/dbraw/zinc/48/83/69/864488369.db2.gz VWFXZDQQGQYIPL-OALUTQOASA-N 1 0 397.629 3.602 20 30 GHEDRO CN(C)c1ncc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c2ccccc21 ZINC000826789749 864777981 /nfs/dbraw/zinc/77/79/81/864777981.db2.gz JSDBICMHNDYSAS-UHFFFAOYSA-N 1 0 386.499 3.968 20 30 GHEDRO C#CCN(CC)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000735586839 864864820 /nfs/dbraw/zinc/86/48/20/864864820.db2.gz PSVGCZSBIMDYSC-SJLPKXTDSA-N 1 0 381.442 3.753 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000063509694 864886494 /nfs/dbraw/zinc/88/64/94/864886494.db2.gz BUZMBIUYRXGQCQ-UHFFFAOYSA-N 1 0 394.519 3.565 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCc3ccccc3F)CC2)cc1 ZINC000475391973 864927073 /nfs/dbraw/zinc/92/70/73/864927073.db2.gz UXEWWUCDDJOARN-UHFFFAOYSA-N 1 0 394.494 3.547 20 30 GHEDRO C=CCSCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455950120 864956662 /nfs/dbraw/zinc/95/66/62/864956662.db2.gz XMRXKVUJRUZXOV-UHFFFAOYSA-N 1 0 383.945 3.854 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC[C@@H]21 ZINC000154801428 864991527 /nfs/dbraw/zinc/99/15/27/864991527.db2.gz RAVMANCBDBWAKL-OFNKIYASSA-N 1 0 389.499 3.694 20 30 GHEDRO CC(C)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H](O)c1ccc(F)cc1 ZINC000735871617 865015817 /nfs/dbraw/zinc/01/58/17/865015817.db2.gz FAMSKGXSLQAYQX-HXUWFJFHSA-N 1 0 389.515 3.502 20 30 GHEDRO Cc1[nH+]c(CN=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c2ccccn12 ZINC000735978826 865067907 /nfs/dbraw/zinc/06/79/07/865067907.db2.gz MJFZXSDODUVWRI-UHFFFAOYSA-N 1 0 397.364 3.960 20 30 GHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480704459 865119428 /nfs/dbraw/zinc/11/94/28/865119428.db2.gz QGBURPHZVGNFOC-WMLDXEAASA-N 1 0 392.341 3.838 20 30 GHEDRO N#Cc1ccc(CN2CC[NH+](CCc3cccs3)CC2)c(Br)c1 ZINC000480709414 865146749 /nfs/dbraw/zinc/14/67/49/865146749.db2.gz ZHKWGFYRGLNXHN-UHFFFAOYSA-N 1 0 390.350 3.743 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000856904971 881847043 /nfs/dbraw/zinc/84/70/43/881847043.db2.gz WDPYGCRZZWSKRH-QHCPKHFHSA-N 1 0 391.515 3.656 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000554928501 865188330 /nfs/dbraw/zinc/18/83/30/865188330.db2.gz PETMOTXZLZCAMZ-PZJWPPBQSA-N 1 0 381.568 3.806 20 30 GHEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000608350226 865246349 /nfs/dbraw/zinc/24/63/49/865246349.db2.gz GTAUFFFUDANMKX-OAQYLSRUSA-N 1 0 382.529 3.880 20 30 GHEDRO COCC[N@H+](C)CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000063744348 865268019 /nfs/dbraw/zinc/26/80/19/865268019.db2.gz LGKOWYCQUSMHSX-UHFFFAOYSA-N 1 0 397.544 3.549 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000063754372 865275941 /nfs/dbraw/zinc/27/59/41/865275941.db2.gz RZHGHGZDCCZDCR-UHFFFAOYSA-N 1 0 376.456 3.930 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)c2ccc(Br)cc2)CC1 ZINC000171716769 865342128 /nfs/dbraw/zinc/34/21/28/865342128.db2.gz XSHMRJXXGHANQP-UHFFFAOYSA-N 1 0 394.357 3.676 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)CC1 ZINC000171720493 865343618 /nfs/dbraw/zinc/34/36/18/865343618.db2.gz SDTVAFFXPIXMBE-UHFFFAOYSA-N 1 0 376.500 3.915 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063799384 865406578 /nfs/dbraw/zinc/40/65/78/865406578.db2.gz UYAAJIPTPPSHQW-UHFFFAOYSA-N 1 0 376.504 3.934 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)ccc1F ZINC000594222199 865413254 /nfs/dbraw/zinc/41/32/54/865413254.db2.gz HPYCNRCQFHRBMF-UHFFFAOYSA-N 1 0 380.467 3.638 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(OC(F)F)c1)[n+]1ccccc1 ZINC000738011440 865469987 /nfs/dbraw/zinc/46/99/87/865469987.db2.gz BDNWAYRPPVCPSX-UHFFFAOYSA-O 1 0 377.436 3.952 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccco1 ZINC000594226665 865472319 /nfs/dbraw/zinc/47/23/19/865472319.db2.gz NLMYMEPZHHUTFN-IBGZPJMESA-N 1 0 380.492 3.913 20 30 GHEDRO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000174128020 865476176 /nfs/dbraw/zinc/47/61/76/865476176.db2.gz VTRBUIMAUNPGAA-UHFFFAOYSA-N 1 0 380.492 3.569 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]2C[NH+]2CCCC2)c1=S ZINC000738106332 865493422 /nfs/dbraw/zinc/49/34/22/865493422.db2.gz XQZARNQAEXQSGQ-HXUWFJFHSA-N 1 0 397.592 3.709 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCC2)cc1 ZINC000594240123 865524158 /nfs/dbraw/zinc/52/41/58/865524158.db2.gz OFQZNMPXRNOFOT-NRFANRHFSA-N 1 0 388.515 3.759 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000487479859 865546433 /nfs/dbraw/zinc/54/64/33/865546433.db2.gz ZFKHBNSKHASKGR-HSZRJFAPSA-N 1 0 390.531 3.599 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000594262958 865634478 /nfs/dbraw/zinc/63/44/78/865634478.db2.gz TWXJTUXPNCUXKQ-NRFANRHFSA-N 1 0 389.543 3.904 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)o1 ZINC000608777669 865684789 /nfs/dbraw/zinc/68/47/89/865684789.db2.gz PWTPSKGWEMEEIE-MRXNPFEDSA-N 1 0 390.281 3.879 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000608812093 865718330 /nfs/dbraw/zinc/71/83/30/865718330.db2.gz IZQHWARYDLIFLE-GOSISDBHSA-N 1 0 395.503 3.972 20 30 GHEDRO N#CCCC1CC[NH+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000567609404 865761267 /nfs/dbraw/zinc/76/12/67/865761267.db2.gz GVIVERYSYYNILY-SFHVURJKSA-N 1 0 377.435 3.799 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000555240316 865771011 /nfs/dbraw/zinc/77/10/11/865771011.db2.gz KQDKWNWTLGVSQB-UHFFFAOYSA-N 1 0 383.540 3.580 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000739857237 865803323 /nfs/dbraw/zinc/80/33/23/865803323.db2.gz KSQPEQGDCGOEGR-RXVVDRJESA-N 1 0 392.551 3.669 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000481097457 865805199 /nfs/dbraw/zinc/80/51/99/865805199.db2.gz YFYUIUJSSMAVPY-DNVCBOLYSA-N 1 0 388.556 3.756 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C)cc1C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000739843989 865816439 /nfs/dbraw/zinc/81/64/39/865816439.db2.gz ADFMRKVDCFLPPQ-UHFFFAOYSA-N 1 0 389.503 3.848 20 30 GHEDRO CCN(CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029835 865906369 /nfs/dbraw/zinc/90/63/69/865906369.db2.gz OJQWABLDEPQFHU-UHFFFAOYSA-N 1 0 378.520 3.517 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCSc2ccccc2Br)CC1 ZINC000740737263 865975242 /nfs/dbraw/zinc/97/52/42/865975242.db2.gz IFKVXBNWSOIELH-UHFFFAOYSA-N 1 0 395.366 3.535 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000740738429 865976431 /nfs/dbraw/zinc/97/64/31/865976431.db2.gz FOXSEQNETQUPCU-UHFFFAOYSA-N 1 0 380.463 3.622 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456011660 865988973 /nfs/dbraw/zinc/98/89/73/865988973.db2.gz VCGLIPCKICKQAT-OAQYLSRUSA-N 1 0 377.492 3.780 20 30 GHEDRO Cc1sc(NC(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000481204058 866002931 /nfs/dbraw/zinc/00/29/31/866002931.db2.gz UMTHPUYZKXSIAK-YWZLYKJASA-N 1 0 396.560 3.675 20 30 GHEDRO C=C(C)C[N@@H+](C)CC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000481210836 866019958 /nfs/dbraw/zinc/01/99/58/866019958.db2.gz MWMHOPKKLMQRCQ-UHFFFAOYSA-N 1 0 382.504 3.741 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+](CCO)[C@@H]2CCCSC2)c1 ZINC000475493482 866036283 /nfs/dbraw/zinc/03/62/83/866036283.db2.gz FVJQNIIPTLZSAU-OAQYLSRUSA-N 1 0 382.529 3.827 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000121127346 881938097 /nfs/dbraw/zinc/93/80/97/881938097.db2.gz DPYFNMYGCUDESA-LJQANCHMSA-N 1 0 398.551 3.600 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2)CC1 ZINC000793102856 881943239 /nfs/dbraw/zinc/94/32/39/881943239.db2.gz PJHWUEHZASHZFH-HXUWFJFHSA-N 1 0 376.504 3.855 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475545288 866254969 /nfs/dbraw/zinc/25/49/69/866254969.db2.gz BBRXWUMOMQDXRG-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000475558954 866275999 /nfs/dbraw/zinc/27/59/99/866275999.db2.gz MDXQHTLWZLEARS-HNNXBMFYSA-N 1 0 397.431 3.601 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508491684 866318611 /nfs/dbraw/zinc/31/86/11/866318611.db2.gz UMOUQMGQXQGDLE-HXUWFJFHSA-N 1 0 395.551 3.670 20 30 GHEDRO [NH2+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC1CCCCC1 ZINC000303864479 866376181 /nfs/dbraw/zinc/37/61/81/866376181.db2.gz AZDRHYQAUVNLKP-CQSZACIVSA-N 1 0 379.346 3.512 20 30 GHEDRO N#Cc1ccc(OCCCOC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741319761 866392055 /nfs/dbraw/zinc/39/20/55/866392055.db2.gz OHPZRKBKNBUZOF-NRFANRHFSA-N 1 0 378.472 3.783 20 30 GHEDRO CNC(=O)c1cccc(CCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304746877 866513260 /nfs/dbraw/zinc/51/32/60/866513260.db2.gz FZAQOKRICAJALH-UHFFFAOYSA-N 1 0 388.471 3.808 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000534312898 866542733 /nfs/dbraw/zinc/54/27/33/866542733.db2.gz PIUZRRXMXFLPEI-GOTSBHOMSA-N 1 0 386.499 3.802 20 30 GHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3nccc(C#N)c3Cl)CC2)c1C ZINC000553032918 866657186 /nfs/dbraw/zinc/65/71/86/866657186.db2.gz GHEOKJPGZOMQGO-UHFFFAOYSA-N 1 0 399.926 3.728 20 30 GHEDRO [NH2+]=C(NCCc1cc(F)c(F)c(F)c1)Nc1ccccc1OC(F)(F)F ZINC000305878960 866658209 /nfs/dbraw/zinc/65/82/09/866658209.db2.gz SUDVPWBKAHJSOI-UHFFFAOYSA-N 1 0 377.288 3.972 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNCCc2ccc(OC)cc2)c1C ZINC000737439766 866667507 /nfs/dbraw/zinc/66/75/07/866667507.db2.gz GXMFZNHCUIRMPD-JOCHJYFZSA-N 1 0 382.552 3.764 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000534378953 866688400 /nfs/dbraw/zinc/68/84/00/866688400.db2.gz KZPVZRCKDFNAQL-PZJWPPBQSA-N 1 0 383.536 3.687 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000741675694 866714938 /nfs/dbraw/zinc/71/49/38/866714938.db2.gz UARYKNZUIFGMFA-QFIPXVFZSA-N 1 0 392.499 3.664 20 30 GHEDRO C=C(C)[C@@H](CC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)OCC ZINC000534427293 866740193 /nfs/dbraw/zinc/74/01/93/866740193.db2.gz ZUBRCEPFGOMGPF-LAUBAEHRSA-N 1 0 391.531 3.516 20 30 GHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594516629 866897984 /nfs/dbraw/zinc/89/79/84/866897984.db2.gz SNDBWIRLOLHXBM-FHLIZLRMSA-N 1 0 382.508 3.688 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508833589 866916412 /nfs/dbraw/zinc/91/64/12/866916412.db2.gz PWPBXNBHBFUTOT-GOSISDBHSA-N 1 0 385.943 3.773 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000444760592 867159332 /nfs/dbraw/zinc/15/93/32/867159332.db2.gz UGUDUKQQDGRJPC-NSHDSACASA-N 1 0 399.335 3.507 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1OC ZINC000189967939 882057139 /nfs/dbraw/zinc/05/71/39/882057139.db2.gz TULQRQFNIGJXPI-GOEBONIOSA-N 1 0 384.314 3.663 20 30 GHEDRO C=CC[C@@H]1[N@H+](Cc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)CCCC1(C)C ZINC000444775915 867218292 /nfs/dbraw/zinc/21/82/92/867218292.db2.gz BCCWLHYWNFFBTE-AWEZNQCLSA-N 1 0 386.496 3.857 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)s1 ZINC000444788260 867251475 /nfs/dbraw/zinc/25/14/75/867251475.db2.gz ZUMQCMDJOIBDKB-NSHDSACASA-N 1 0 399.335 3.507 20 30 GHEDRO C=CCOc1c(Br)cc(CNCC[N@@H+]2CCC[C@H]2C)cc1OCC ZINC000742387668 867253205 /nfs/dbraw/zinc/25/32/05/867253205.db2.gz SZLPSVNMZZILBP-OAHLLOKOSA-N 1 0 397.357 3.987 20 30 GHEDRO C[C@@H](CCOc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479268933 867492322 /nfs/dbraw/zinc/49/23/22/867492322.db2.gz AOQSQNRRWLXEJK-FQEVSTJZSA-N 1 0 391.515 3.766 20 30 GHEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000742725536 867507035 /nfs/dbraw/zinc/50/70/35/867507035.db2.gz UZFKOLPCWFUDMW-LJQANCHMSA-N 1 0 382.570 3.549 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000479306581 867512468 /nfs/dbraw/zinc/51/24/68/867512468.db2.gz BXDWEEZDHOWKEM-JOCHJYFZSA-N 1 0 390.531 3.800 20 30 GHEDRO C=CC[C@@H]1N(C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CCCC1(C)C ZINC000444970283 867540359 /nfs/dbraw/zinc/54/03/59/867540359.db2.gz YPOVAOKQTWFKDG-AABGKKOBSA-N 1 0 379.589 3.900 20 30 GHEDRO COc1cc(C[NH2+]C(C)(C)COc2ncccc2Br)ccc1C#N ZINC000440621972 867569161 /nfs/dbraw/zinc/56/91/61/867569161.db2.gz DCFKESQDWWWXOZ-UHFFFAOYSA-N 1 0 390.281 3.672 20 30 GHEDRO CC[C@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000183745975 867668095 /nfs/dbraw/zinc/66/80/95/867668095.db2.gz QRNTYUMOEXLBBL-IBGZPJMESA-N 1 0 382.533 3.545 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)ccc1C#N ZINC000440639532 867709863 /nfs/dbraw/zinc/70/98/63/867709863.db2.gz PXORNQQMRFNARX-MRXNPFEDSA-N 1 0 375.394 3.954 20 30 GHEDRO N#CC1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000523709738 867842137 /nfs/dbraw/zinc/84/21/37/867842137.db2.gz NFKQIBWXVWZZLI-UHFFFAOYSA-N 1 0 382.508 3.914 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000743196580 867944267 /nfs/dbraw/zinc/94/42/67/867944267.db2.gz RJPVVOGTECEQKJ-ROUUACIJSA-N 1 0 387.499 3.956 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000743202750 867954422 /nfs/dbraw/zinc/95/44/22/867954422.db2.gz TYLDBHJDPPTOBQ-SFHVURJKSA-N 1 0 385.439 3.779 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000743201430 867954523 /nfs/dbraw/zinc/95/45/23/867954523.db2.gz RZVMJCKENJHUAF-UHFFFAOYSA-N 1 0 381.451 3.755 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000743202946 867954627 /nfs/dbraw/zinc/95/46/27/867954627.db2.gz XZUANZDKFKDBSZ-UHFFFAOYSA-N 1 0 395.478 3.666 20 30 GHEDRO Cc1cc(C)cc([C@@H](O)C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000743267688 868041273 /nfs/dbraw/zinc/04/12/73/868041273.db2.gz YNLXZJGWOVHCDA-QHCPKHFHSA-N 1 0 386.499 3.579 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000156126786 868260546 /nfs/dbraw/zinc/26/05/46/868260546.db2.gz DYKVJWIAJAHABO-FQEVSTJZSA-N 1 0 397.437 3.987 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000743624677 868311668 /nfs/dbraw/zinc/31/16/68/868311668.db2.gz HGUTUNTXVQJDMK-GOSISDBHSA-N 1 0 382.533 3.912 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 ZINC000479958618 868772835 /nfs/dbraw/zinc/77/28/35/868772835.db2.gz CFWOLZMKKSIXAU-ZWKOTPCHSA-N 1 0 382.426 3.845 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000029829840 868816462 /nfs/dbraw/zinc/81/64/62/868816462.db2.gz DYQASUNGCKSMCZ-UHFFFAOYSA-N 1 0 385.895 3.909 20 30 GHEDRO CC(=O)c1ccccc1OCCO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000744446005 868847726 /nfs/dbraw/zinc/84/77/26/868847726.db2.gz MJIDWUDSSGQCME-UHFFFAOYSA-N 1 0 381.476 3.595 20 30 GHEDRO COc1ccc(COCCO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)cc1 ZINC000744446240 868848160 /nfs/dbraw/zinc/84/81/60/868848160.db2.gz UTOYRFZRVXMYSU-UHFFFAOYSA-N 1 0 383.492 3.539 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000122197073 868984966 /nfs/dbraw/zinc/98/49/66/868984966.db2.gz UFYUPYSSZVRFEP-GASCZTMLSA-N 1 0 385.961 3.598 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000524432320 869073375 /nfs/dbraw/zinc/07/33/75/869073375.db2.gz HNOPETDSRNZAAA-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C#CCN(C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C1CCCCC1 ZINC000744834635 869115964 /nfs/dbraw/zinc/11/59/64/869115964.db2.gz YHYCHZKIEYMLNU-PMACEKPBSA-N 1 0 397.563 3.773 20 30 GHEDRO C[N@H+]1CC=C(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000539451075 869159080 /nfs/dbraw/zinc/15/90/80/869159080.db2.gz QBDPILXOHOXDOX-UHFFFAOYSA-N 1 0 381.863 3.996 20 30 GHEDRO N#Cc1cc(N2CC[NH+](CC3CCCCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000462378581 869323482 /nfs/dbraw/zinc/32/34/82/869323482.db2.gz GKBQWFSOOHTIEX-UHFFFAOYSA-N 1 0 379.464 3.717 20 30 GHEDRO CC(C)C[N@H+](CC(=O)NCCc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000524750547 869493270 /nfs/dbraw/zinc/49/32/70/869493270.db2.gz YCSXZOYWHISZAH-UHFFFAOYSA-N 1 0 385.458 3.653 20 30 GHEDRO CC[C@H](C)[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000446274300 869624718 /nfs/dbraw/zinc/62/47/18/869624718.db2.gz FZKVLZBWQYQVMQ-MAUKXSAKSA-N 1 0 396.457 3.753 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)c1ccccc1F ZINC000462537914 869647846 /nfs/dbraw/zinc/64/78/46/869647846.db2.gz PYYALFCRCHMUNV-JMUQELJHSA-N 1 0 377.463 3.809 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000524856722 869654358 /nfs/dbraw/zinc/65/43/58/869654358.db2.gz HSMJLLPJRWDPQF-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO CC[C@H](C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000446300440 869673383 /nfs/dbraw/zinc/67/33/83/869673383.db2.gz MXXIAZZJHANTJB-WMLDXEAASA-N 1 0 384.446 3.608 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)NCCC[NH+](C)C ZINC000745724492 869768275 /nfs/dbraw/zinc/76/82/75/869768275.db2.gz RYKBPFQDDKMGRE-UHFFFAOYSA-N 1 0 384.524 3.839 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508861489 869893396 /nfs/dbraw/zinc/89/33/96/869893396.db2.gz CVDXETCTIKMSMV-UHFFFAOYSA-N 1 0 383.515 3.506 20 30 GHEDRO COC(=O)c1cc2cc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)ccc2o1 ZINC000525109169 869990128 /nfs/dbraw/zinc/99/01/28/869990128.db2.gz SEJSFQFZTAFNKU-UHFFFAOYSA-N 1 0 389.455 3.803 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000462809710 870106097 /nfs/dbraw/zinc/10/60/97/870106097.db2.gz GXCSKTLJUPLBPG-FXAWDEMLSA-N 1 0 380.488 3.510 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462815657 870146106 /nfs/dbraw/zinc/14/61/06/870146106.db2.gz IWHCONYJYZJCQP-IBGZPJMESA-N 1 0 388.490 3.952 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000092709133 882420568 /nfs/dbraw/zinc/42/05/68/882420568.db2.gz AYILVEVCIXRBNC-MRXNPFEDSA-N 1 0 389.459 3.802 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000463031576 870735650 /nfs/dbraw/zinc/73/56/50/870735650.db2.gz VYAWILTWXPTZOI-AWEZNQCLSA-N 1 0 389.293 3.933 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000766439573 870769001 /nfs/dbraw/zinc/76/90/01/870769001.db2.gz SKYOVRNUBATBGQ-UHFFFAOYSA-N 1 0 389.499 3.859 20 30 GHEDRO C#CCN1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000775559436 870810091 /nfs/dbraw/zinc/81/00/91/870810091.db2.gz FIKNWFNWNGMDPB-GOTSBHOMSA-N 1 0 397.563 3.502 20 30 GHEDRO CCOC(=O)c1c2c(sc1NC(=O)CCCC#N)C(C)(C)[NH2+]C(C)(C)C2 ZINC000463066885 870817570 /nfs/dbraw/zinc/81/75/70/870817570.db2.gz KXCHYFJQZIFMBG-UHFFFAOYSA-N 1 0 377.510 3.717 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000461724836 870845649 /nfs/dbraw/zinc/84/56/49/870845649.db2.gz GGLFJJRCDJTHTI-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C#CCOCC[N@@H+](C)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001193022325 870851474 /nfs/dbraw/zinc/85/14/74/870851474.db2.gz RUEBCTBKJBVREM-HXUWFJFHSA-N 1 0 388.305 3.731 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC001193165263 870931037 /nfs/dbraw/zinc/93/10/37/870931037.db2.gz NMPJQRUWYKVXOO-MRXNPFEDSA-N 1 0 375.472 3.546 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000181388423 870959284 /nfs/dbraw/zinc/95/92/84/870959284.db2.gz DZUIVRCWVCFTJH-VWLOTQADSA-N 1 0 388.559 3.949 20 30 GHEDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CN1C(=O)OC(C)(C)C ZINC001168879280 870966122 /nfs/dbraw/zinc/96/61/22/870966122.db2.gz GNUHBULJBDCJQT-KPFFTGBYSA-N 1 0 385.508 3.799 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC000540324236 871017179 /nfs/dbraw/zinc/01/71/79/871017179.db2.gz KULQRYCPBFMZJV-HNNXBMFYSA-N 1 0 392.484 3.883 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1OC(F)(F)F ZINC000540393368 871160937 /nfs/dbraw/zinc/16/09/37/871160937.db2.gz VWFMTXKMHDSDRR-UHFFFAOYSA-N 1 0 391.393 3.661 20 30 GHEDRO CCCC[N@H+](CCCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000540426192 871256769 /nfs/dbraw/zinc/25/67/69/871256769.db2.gz CJLRDJQLKQSOBG-UHFFFAOYSA-N 1 0 388.556 3.905 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc2ccccc2nc1C(C#N)C#N ZINC001169176248 871299873 /nfs/dbraw/zinc/29/98/73/871299873.db2.gz ZNOQEGQSQFPQET-UHFFFAOYSA-N 1 0 396.454 3.523 20 30 GHEDRO COc1cc(OC)cc(C2(F)CC[NH+](C[C@H](O)c3cccc(C#N)c3)CC2)c1 ZINC001193807694 871320013 /nfs/dbraw/zinc/32/00/13/871320013.db2.gz MIBLBVRQNFSLDE-NRFANRHFSA-N 1 0 384.451 3.570 20 30 GHEDRO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](NC(=O)OC)c1ccnc2ccc(OC)cc21 ZINC001193926511 871374171 /nfs/dbraw/zinc/37/41/71/871374171.db2.gz ZINSMXUZMIYGLO-CALQCPNCSA-N 1 0 381.476 3.537 20 30 GHEDRO C=CC[C@@H]1[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCC1(C)C ZINC001193921515 871395689 /nfs/dbraw/zinc/39/56/89/871395689.db2.gz YDTYLLYITWWFHA-SFHVURJKSA-N 1 0 375.469 3.999 20 30 GHEDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000428809671 871397645 /nfs/dbraw/zinc/39/76/45/871397645.db2.gz WFLHPNBBBVAXQY-FQEVSTJZSA-N 1 0 399.288 3.637 20 30 GHEDRO C#CCOCC[N@@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001193962685 871405067 /nfs/dbraw/zinc/40/50/67/871405067.db2.gz HXDAFAURDGSBIQ-GOSISDBHSA-N 1 0 398.366 3.675 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC001194191762 871547915 /nfs/dbraw/zinc/54/79/15/871547915.db2.gz OOGMQLSRROBBPT-IOMROCGXSA-N 1 0 386.561 3.999 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OC1CCCC1 ZINC000539254440 871565332 /nfs/dbraw/zinc/56/53/32/871565332.db2.gz QNJSWTAAZQEGCD-AOMKIAJQSA-N 1 0 387.524 3.722 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C(N)=O)cc1 ZINC000463403155 871600366 /nfs/dbraw/zinc/60/03/66/871600366.db2.gz FPKVCSGTPNOHQT-XMMPIXPASA-N 1 0 383.495 3.776 20 30 GHEDRO Cc1ccc(C[NH+]=C(NCc2cnc(N(C)C)n2C)Nc2ccccc2)cc1 ZINC000462164585 871720153 /nfs/dbraw/zinc/72/01/53/871720153.db2.gz NUOTVGZDZVQTCF-UHFFFAOYSA-N 1 0 376.508 3.552 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1CC#N ZINC000776973551 882544522 /nfs/dbraw/zinc/54/45/22/882544522.db2.gz GTKIOCSWOMZHNH-NRFANRHFSA-N 1 0 375.516 3.666 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1F ZINC001194551839 871785930 /nfs/dbraw/zinc/78/59/30/871785930.db2.gz RMTKGJVHPQBLIT-QGZVFWFLSA-N 1 0 397.494 3.633 20 30 GHEDRO C=C(Br)CNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000921075186 882561056 /nfs/dbraw/zinc/56/10/56/882561056.db2.gz ZGSIQYQUDRKVQU-UHFFFAOYSA-N 1 0 388.309 3.576 20 30 GHEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000191667238 882556352 /nfs/dbraw/zinc/55/63/52/882556352.db2.gz PPFWETHJFXIKBG-UWJYYQICSA-N 1 0 389.565 3.750 20 30 GHEDRO CCCCCCCCOC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(CO)c1 ZINC001194745806 871905865 /nfs/dbraw/zinc/90/58/65/871905865.db2.gz ZYNPBRFDCYODIF-UHFFFAOYSA-N 1 0 377.529 3.840 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000526047960 871992972 /nfs/dbraw/zinc/99/29/72/871992972.db2.gz BDAVLGCLYCAPMS-OCCSQVGLSA-N 1 0 386.496 3.859 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618822345 872008787 /nfs/dbraw/zinc/00/87/87/872008787.db2.gz RSQSQBIDBMXSQO-FRGLQRNOSA-N 1 0 388.515 3.898 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@@H]1c1cccs1 ZINC000618815715 872022067 /nfs/dbraw/zinc/02/20/67/872022067.db2.gz OUYUZXIWZLYLCD-SLYNCCJLSA-N 1 0 394.544 3.989 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCc3cccc4c3OC(F)(F)O4)CC2)cc1 ZINC001169943564 872031975 /nfs/dbraw/zinc/03/19/75/872031975.db2.gz VDXGVQNTRWHFNT-UHFFFAOYSA-N 1 0 386.398 3.966 20 30 GHEDRO CN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000618840861 872052427 /nfs/dbraw/zinc/05/24/27/872052427.db2.gz MGXGIRUOAWOISR-GGAORHGYSA-N 1 0 388.515 3.852 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@H]1CCCO1 ZINC000182254694 872092046 /nfs/dbraw/zinc/09/20/46/872092046.db2.gz RIDYJJLJDLKXLY-NHCUHLMSSA-N 1 0 394.519 3.511 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCO1 ZINC000182305971 872168280 /nfs/dbraw/zinc/16/82/80/872168280.db2.gz FYFFKKGCTWUVNJ-IRXDYDNUSA-N 1 0 375.538 3.764 20 30 GHEDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 ZINC000182321045 872198709 /nfs/dbraw/zinc/19/87/09/872198709.db2.gz UCHMUVCZDWXCLL-QGZVFWFLSA-N 1 0 381.476 3.615 20 30 GHEDRO COc1nccc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001195198684 872251274 /nfs/dbraw/zinc/25/12/74/872251274.db2.gz LJQRTCIFZIRTDZ-QAQDUYKDSA-N 1 0 398.894 3.528 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1C#N ZINC000477961706 872259973 /nfs/dbraw/zinc/25/99/73/872259973.db2.gz GSPKQWXBMJSCRS-IBGZPJMESA-N 1 0 384.455 3.909 20 30 GHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000182422625 872300916 /nfs/dbraw/zinc/30/09/16/872300916.db2.gz GICHZOHATJDFOQ-UHFFFAOYSA-N 1 0 394.906 3.899 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](CCC#N)CC2CC2)c1C#N ZINC000478019203 872327319 /nfs/dbraw/zinc/32/73/19/872327319.db2.gz SHSDGSLXCDMMAZ-UHFFFAOYSA-N 1 0 393.491 3.572 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(C)c(C)c2)[n+]2ccccc2)cn1 ZINC000101900506 872354815 /nfs/dbraw/zinc/35/48/15/872354815.db2.gz MDVSZLAYZGOJEI-UHFFFAOYSA-O 1 0 379.509 3.858 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463695734 872355313 /nfs/dbraw/zinc/35/53/13/872355313.db2.gz GVFBCEVRGSJALV-AZUAARDMSA-N 1 0 394.515 3.900 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000447853097 872414042 /nfs/dbraw/zinc/41/40/42/872414042.db2.gz DHPWPNPLZCBXBP-FCHUYYIVSA-N 1 0 375.472 3.899 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000447853100 872415604 /nfs/dbraw/zinc/41/56/04/872415604.db2.gz DHPWPNPLZCBXBP-YADHBBJMSA-N 1 0 375.472 3.899 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)cc(C)c1O ZINC000775657333 872417563 /nfs/dbraw/zinc/41/75/63/872417563.db2.gz ZQSLCMIIFHZDIN-UHFFFAOYSA-N 1 0 389.293 3.983 20 30 GHEDRO CCC[C@@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000182495601 872434252 /nfs/dbraw/zinc/43/42/52/872434252.db2.gz KGRYCPQDELTHFV-HXUWFJFHSA-N 1 0 377.488 3.716 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2c(F)cncc2Cl)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001195484635 872436205 /nfs/dbraw/zinc/43/62/05/872436205.db2.gz UTIRLACNWJHYBL-WKILWMFISA-N 1 0 386.858 3.658 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000463764387 872525058 /nfs/dbraw/zinc/52/50/58/872525058.db2.gz GNYRQINRHRUVJJ-RTBURBONSA-N 1 0 386.536 3.987 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CC([NH+]4CCCCC4)C3)cn2)c1 ZINC000619434786 872648147 /nfs/dbraw/zinc/64/81/47/872648147.db2.gz BOAOJPKZAJDJEG-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO C[C@H](C#N)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541018749 872766913 /nfs/dbraw/zinc/76/69/13/872766913.db2.gz GVDSNIQZCPKLMF-UNEWFSDZSA-N 1 0 382.430 3.547 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000448047113 872772094 /nfs/dbraw/zinc/77/20/94/872772094.db2.gz CADRMGUEWYNICO-FPOVZHCZSA-N 1 0 380.488 3.608 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc2c1OCC[C@H]2OC)C(C)C ZINC000448050312 872775313 /nfs/dbraw/zinc/77/53/13/872775313.db2.gz TZWTYPOAEWBZQE-WOJBJXKFSA-N 1 0 387.524 3.977 20 30 GHEDRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541075841 872860005 /nfs/dbraw/zinc/86/00/05/872860005.db2.gz RCVXHJUYLWJTEK-IAGOWNOFSA-N 1 0 392.503 3.746 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000767885698 872914732 /nfs/dbraw/zinc/91/47/32/872914732.db2.gz UILBYEXMXXPTBY-HKUYNNGSSA-N 1 0 390.405 3.806 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667327168 872944747 /nfs/dbraw/zinc/94/47/47/872944747.db2.gz JOWBXDWLRDANJO-JOCHJYFZSA-N 1 0 395.551 3.826 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(-c2ccncc2)n1 ZINC000619748865 872984875 /nfs/dbraw/zinc/98/48/75/872984875.db2.gz QXXSNYPGTCQOHP-UHFFFAOYSA-N 1 0 376.851 3.674 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001196312746 873005445 /nfs/dbraw/zinc/00/54/45/873005445.db2.gz FNKWHLHQSBDXMX-WOJBJXKFSA-N 1 0 376.529 3.709 20 30 GHEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000619809730 873063175 /nfs/dbraw/zinc/06/31/75/873063175.db2.gz HLQXIZHYWYOXSI-IFMALSPDSA-N 1 0 398.457 3.589 20 30 GHEDRO Cc1ccc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)cn1 ZINC000541200756 873123161 /nfs/dbraw/zinc/12/31/61/873123161.db2.gz CGGCPLGYNHMMPA-IBGZPJMESA-N 1 0 376.504 3.905 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000183024566 873128091 /nfs/dbraw/zinc/12/80/91/873128091.db2.gz FZVKUTUKJVJUDK-IBGZPJMESA-N 1 0 387.405 3.858 20 30 GHEDRO CCN1C[C@@H](C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)Oc2ccccc21 ZINC000768213376 873168452 /nfs/dbraw/zinc/16/84/52/873168452.db2.gz RNLUVPVFKHFRQE-OAQYLSRUSA-N 1 0 378.520 3.756 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](CCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC001196594072 873215115 /nfs/dbraw/zinc/21/51/15/873215115.db2.gz HMHBRUSLHVGSDT-SZPZYZBQSA-N 1 0 385.508 3.516 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H](O)C(C)(C)C2)cc1OCC ZINC000448361284 873261803 /nfs/dbraw/zinc/26/18/03/873261803.db2.gz WNQYHOFEUZHYOE-MRXNPFEDSA-N 1 0 384.314 3.615 20 30 GHEDRO CC[NH+](CC)CCOCCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001196706762 873312870 /nfs/dbraw/zinc/31/28/70/873312870.db2.gz SGESERXPWHVWHN-UHFFFAOYSA-N 1 0 379.504 3.566 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC001196715148 873317959 /nfs/dbraw/zinc/31/79/59/873317959.db2.gz ZWIDQYALCLFSSG-HXUWFJFHSA-N 1 0 392.503 3.568 20 30 GHEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000743485659 873374832 /nfs/dbraw/zinc/37/48/32/873374832.db2.gz NYRCUIQTFSCILN-OAQYLSRUSA-N 1 0 397.544 3.696 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858016798 882728688 /nfs/dbraw/zinc/72/86/88/882728688.db2.gz ILKZJSQLRRSFDC-FQEVSTJZSA-N 1 0 393.487 3.761 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3ccsc3C(F)(F)F)CC2)cc1 ZINC000527743567 873546093 /nfs/dbraw/zinc/54/60/93/873546093.db2.gz HALQBZQVPCKFAI-UHFFFAOYSA-N 1 0 393.434 3.987 20 30 GHEDRO COCCOCc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000527810907 873597538 /nfs/dbraw/zinc/59/75/38/873597538.db2.gz NXRYFOIFOIGACP-UHFFFAOYSA-N 1 0 380.488 3.517 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000448719903 873850875 /nfs/dbraw/zinc/85/08/75/873850875.db2.gz NKGBGPLYYRUFOU-FQEVSTJZSA-N 1 0 390.512 3.786 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](C(C)(C)O)C3)sc2C1 ZINC001197587291 873927119 /nfs/dbraw/zinc/92/71/19/873927119.db2.gz ATBVVRXXNSTKQH-GJZGRUSLSA-N 1 0 389.565 3.556 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170003981 873933101 /nfs/dbraw/zinc/93/31/01/873933101.db2.gz BBKCPVXBMYLERG-UHFFFAOYSA-N 1 0 387.524 3.821 20 30 GHEDRO C[C@H]1C[C@]1(C#N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000448813940 873984759 /nfs/dbraw/zinc/98/47/59/873984759.db2.gz VIVGZIILLJNTPH-IFXJQAMLSA-N 1 0 379.426 3.678 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=S)Nc3cccc(C#N)c3)cc2F)CC1 ZINC001197712909 873997016 /nfs/dbraw/zinc/99/70/16/873997016.db2.gz YSGFIWSZEOZPEK-UHFFFAOYSA-N 1 0 383.496 3.648 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC000769422301 874039296 /nfs/dbraw/zinc/03/92/96/874039296.db2.gz AHOGPKWICIETQP-FUHWJXTLSA-N 1 0 390.524 3.995 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000769570654 874164963 /nfs/dbraw/zinc/16/49/63/874164963.db2.gz LCSSANOAODNIFB-UHFFFAOYSA-N 1 0 399.535 3.708 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2ccc3c(C#N)c[nH]c3c2)cc1 ZINC001198031007 874187865 /nfs/dbraw/zinc/18/78/65/874187865.db2.gz QQSTUXCAANMISX-UHFFFAOYSA-N 1 0 389.503 3.675 20 30 GHEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000464738224 874378145 /nfs/dbraw/zinc/37/81/45/874378145.db2.gz OQDDBVFLKCPALT-JXFKEZNVSA-N 1 0 388.556 3.852 20 30 GHEDRO N#Cc1csc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000541860763 874406666 /nfs/dbraw/zinc/40/66/66/874406666.db2.gz LPRKFDBKLOLQBY-QGZVFWFLSA-N 1 0 391.500 3.975 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H]3CCOC34CCCC4)sc2C1 ZINC001198507216 874470047 /nfs/dbraw/zinc/47/00/47/874470047.db2.gz IIOZSAQLSHMDHO-KSSFIOAISA-N 1 0 387.549 3.764 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508878397 874591038 /nfs/dbraw/zinc/59/10/38/874591038.db2.gz HNZALTTUCVYHIR-AVRDEDQJSA-N 1 0 399.535 3.859 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1 ZINC000528638753 874838184 /nfs/dbraw/zinc/83/81/84/874838184.db2.gz ITZBGICFKJWBLV-QFIPXVFZSA-N 1 0 376.500 3.979 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000464961444 874860563 /nfs/dbraw/zinc/86/05/63/874860563.db2.gz ILBCKPXBRSOBGA-FQEVSTJZSA-N 1 0 393.535 3.637 20 30 GHEDRO COc1cnc(Cl)c(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001199264916 874881395 /nfs/dbraw/zinc/88/13/95/874881395.db2.gz MRYKSKKDPVXSGC-QAQDUYKDSA-N 1 0 398.894 3.528 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ccc(Cl)c(F)c2)c(-c2ccncc2)n1 ZINC000449484394 874934206 /nfs/dbraw/zinc/93/42/06/874934206.db2.gz GYSMEIOFPYDRDY-UHFFFAOYSA-N 1 0 399.857 3.820 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000858147989 882884672 /nfs/dbraw/zinc/88/46/72/882884672.db2.gz HAJRENRGEKIOPO-JOCHJYFZSA-N 1 0 391.515 3.798 20 30 GHEDRO CCc1cccc(C)c1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528781096 875053791 /nfs/dbraw/zinc/05/37/91/875053791.db2.gz DXIYVGREKQOJIQ-UHFFFAOYSA-N 1 0 377.488 3.663 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000775995962 875088085 /nfs/dbraw/zinc/08/80/85/875088085.db2.gz IGXODVLRJAMRDR-UHFFFAOYSA-N 1 0 381.495 3.745 20 30 GHEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449685442 875240252 /nfs/dbraw/zinc/24/02/52/875240252.db2.gz UOYKTEXROQOQTR-ZCGYKAAXSA-N 1 0 395.341 3.671 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465187753 875272583 /nfs/dbraw/zinc/27/25/83/875272583.db2.gz SXIXYZDPPXLTQZ-MSOLQXFVSA-N 1 0 393.487 3.685 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465187761 875272650 /nfs/dbraw/zinc/27/26/50/875272650.db2.gz SXIXYZDPPXLTQZ-ROUUACIJSA-N 1 0 393.487 3.685 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2cccc(OCC#N)c2)CC1)CC1CC1 ZINC000771446375 875273001 /nfs/dbraw/zinc/27/30/01/875273001.db2.gz KVPVJQXKEAOOOF-UHFFFAOYSA-N 1 0 384.524 3.955 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3c(Cl)nc4sccn43)cc2)CC1 ZINC000771527043 875313077 /nfs/dbraw/zinc/31/30/77/875313077.db2.gz ZHMBFXOKRLZLOS-DAXSKMNVSA-N 1 0 386.908 3.697 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2Cc3c2cccc3Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000528980101 875373536 /nfs/dbraw/zinc/37/35/36/875373536.db2.gz PODYEEOMLZEUAO-LJQANCHMSA-N 1 0 379.891 3.654 20 30 GHEDRO N#Cc1ccsc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000153081651 875422729 /nfs/dbraw/zinc/42/27/29/875422729.db2.gz YNLNXZIIVGJISQ-KRWDZBQOSA-N 1 0 377.473 3.516 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncccc2O[C@@H](C)c2ccccc2)CC1 ZINC000771820579 875494461 /nfs/dbraw/zinc/49/44/61/875494461.db2.gz MMOCPJVDOBMGGH-KRWDZBQOSA-N 1 0 380.492 3.994 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=S)Nc2ccc(C#N)cc2Br)CC1 ZINC001201137056 875521084 /nfs/dbraw/zinc/52/10/84/875521084.db2.gz AWCAAJUOCRWZLT-UHFFFAOYSA-N 1 0 395.370 3.728 20 30 GHEDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000776155150 875637150 /nfs/dbraw/zinc/63/71/50/875637150.db2.gz ZTMCQQXWTPWMCA-AVRDEDQJSA-N 1 0 379.504 3.719 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCOc1ccc(Cl)cn1 ZINC001201399480 875658328 /nfs/dbraw/zinc/65/83/28/875658328.db2.gz YQZLEAHDMLVZBW-UHFFFAOYSA-N 1 0 395.684 3.678 20 30 GHEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](O)COc1ccc(Br)cc1 ZINC000491408017 875674835 /nfs/dbraw/zinc/67/48/35/875674835.db2.gz DQHFOBKLLUZHJE-INIZCTEOSA-N 1 0 380.282 3.513 20 30 GHEDRO CCCCCCCCCCCC[N@@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001201630738 875774733 /nfs/dbraw/zinc/77/47/33/875774733.db2.gz DUUDOZIMBDQGPY-JOCHJYFZSA-N 1 0 382.589 3.857 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(COC)c(C#N)c1 ZINC000529210952 875833663 /nfs/dbraw/zinc/83/36/63/875833663.db2.gz DATMAAFZTBVBFU-UHFFFAOYSA-N 1 0 380.492 3.820 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(C(F)(F)F)cc3C#N)cc2C#N)CC1 ZINC001201691451 875835709 /nfs/dbraw/zinc/83/57/09/875835709.db2.gz YFXQLJIHGMIVDD-UHFFFAOYSA-N 1 0 385.393 3.944 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 ZINC001201762733 875846880 /nfs/dbraw/zinc/84/68/80/875846880.db2.gz SBJMUEAWEHMFHW-QFIPXVFZSA-N 1 0 386.540 3.621 20 30 GHEDRO COCc1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1C#N ZINC000529218362 875850103 /nfs/dbraw/zinc/85/01/03/875850103.db2.gz QEWMZFXGKXGKAO-UHFFFAOYSA-N 1 0 396.466 3.584 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(COC)c(C#N)c2)cc1 ZINC000529218422 875850305 /nfs/dbraw/zinc/85/03/05/875850305.db2.gz RXCDCJVPOHGVOI-UHFFFAOYSA-N 1 0 380.492 3.868 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001201798236 875866013 /nfs/dbraw/zinc/86/60/13/875866013.db2.gz RVJDNRQKJIWSIA-SFHVURJKSA-N 1 0 392.540 3.877 20 30 GHEDRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCO2 ZINC001201920149 875936020 /nfs/dbraw/zinc/93/60/20/875936020.db2.gz MOUZISNWIRXGJA-JOCHJYFZSA-N 1 0 377.488 3.645 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cc(C)ccc2C)cc1 ZINC000151912771 876106340 /nfs/dbraw/zinc/10/63/40/876106340.db2.gz LMLHHABZEYSMRW-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1C#N ZINC001202367566 876166033 /nfs/dbraw/zinc/16/60/33/876166033.db2.gz FLUZUYVBFYLNMU-SFHVURJKSA-N 1 0 399.495 3.513 20 30 GHEDRO C=CCOCCCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000173177891 876229836 /nfs/dbraw/zinc/22/98/36/876229836.db2.gz DCPDHBLAMBVQCE-UHFFFAOYSA-N 1 0 384.442 3.723 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NCc3cccc(C#N)c3)c2)CC1 ZINC000858313237 883017071 /nfs/dbraw/zinc/01/70/71/883017071.db2.gz COPDBMBHVGDJAX-UHFFFAOYSA-N 1 0 393.491 3.622 20 30 GHEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000609347412 883033724 /nfs/dbraw/zinc/03/37/24/883033724.db2.gz GBIUUSNNBZUEPI-UHFFFAOYSA-N 1 0 391.515 3.844 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000609355604 883048726 /nfs/dbraw/zinc/04/87/26/883048726.db2.gz LILGSBBACHOLBE-OAHLLOKOSA-N 1 0 378.423 3.642 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)nc1 ZINC000786580832 876768619 /nfs/dbraw/zinc/76/86/19/876768619.db2.gz GDFJPMJHXPSHKM-IBGZPJMESA-N 1 0 386.293 3.973 20 30 GHEDRO N#Cc1nnc2ccccc2c1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000443945076 876951119 /nfs/dbraw/zinc/95/11/19/876951119.db2.gz VJXNNSIZIHKPDS-UHFFFAOYSA-N 1 0 391.450 3.596 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(C#N)c(C)c2)cc(Br)c1OC ZINC000443962436 877018021 /nfs/dbraw/zinc/01/80/21/877018021.db2.gz RAYYSKWRQJBTTE-UHFFFAOYSA-N 1 0 375.266 3.936 20 30 GHEDRO CSc1ccccc1NC(=O)CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174579480 877103960 /nfs/dbraw/zinc/10/39/60/877103960.db2.gz SHBXNAUONYOUDG-FQEVSTJZSA-N 1 0 394.544 3.620 20 30 GHEDRO CN(c1ccc(C(F)(F)F)c(C#N)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450953734 877124214 /nfs/dbraw/zinc/12/42/14/877124214.db2.gz ZMUHCQMJAHUKJC-UHFFFAOYSA-N 1 0 380.336 3.825 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000451021121 877200081 /nfs/dbraw/zinc/20/00/81/877200081.db2.gz OMNKTEVJGNAQGV-UHFFFAOYSA-N 1 0 399.560 3.774 20 30 GHEDRO C#CC[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000373451817 877262463 /nfs/dbraw/zinc/26/24/63/877262463.db2.gz DWVOVNZURKATGJ-ACBHZAAOSA-N 1 0 393.453 3.856 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC[NH+](C)CC1 ZINC000610027311 877317551 /nfs/dbraw/zinc/31/75/51/877317551.db2.gz AXUDOGAAQCYRJP-OAHLLOKOSA-N 1 0 379.464 3.597 20 30 GHEDRO C=CCc1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc(OC)c1OC ZINC000064735190 877369065 /nfs/dbraw/zinc/36/90/65/877369065.db2.gz BCAJQYKBXNYOOI-QKLQHJQFSA-N 1 0 386.536 3.910 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1OC ZINC000282148721 877546481 /nfs/dbraw/zinc/54/64/81/877546481.db2.gz AJNVIECJEQYVAG-IBGZPJMESA-N 1 0 381.476 3.656 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000477457284 877660900 /nfs/dbraw/zinc/66/09/00/877660900.db2.gz GZAULLMMANNNJZ-QGZVFWFLSA-N 1 0 376.378 3.596 20 30 GHEDRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551708684 877680441 /nfs/dbraw/zinc/68/04/41/877680441.db2.gz ZHICJOOLZVAQMO-JOCHJYFZSA-N 1 0 389.499 3.899 20 30 GHEDRO C[C@H]1CN([C@@H](C[NH2+]Cc2cccc(C#N)c2)c2c(F)cccc2Cl)CCO1 ZINC000237648987 877739765 /nfs/dbraw/zinc/73/97/65/877739765.db2.gz XMBUWQKHXKUSHW-YWZLYKJASA-N 1 0 387.886 3.902 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000477530311 877777496 /nfs/dbraw/zinc/77/74/96/877777496.db2.gz LKKLROLPKAYIGQ-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCS1 ZINC000245452824 877903176 /nfs/dbraw/zinc/90/31/76/877903176.db2.gz QQZIRCJEHBIQSF-QAPCUYQASA-N 1 0 377.579 3.950 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1Cl ZINC000613179161 877935575 /nfs/dbraw/zinc/93/55/75/877935575.db2.gz MEQPYDKSTVKZLY-IBGZPJMESA-N 1 0 396.922 3.855 20 30 GHEDRO Cc1nc(SCC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000068127142 877944878 /nfs/dbraw/zinc/94/48/78/877944878.db2.gz CZPHVYORRFWSIF-HNNXBMFYSA-N 1 0 388.581 3.599 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C12CCC2 ZINC000451472647 878019520 /nfs/dbraw/zinc/01/95/20/878019520.db2.gz LGDYYBOYSAGIJK-ZWKOTPCHSA-N 1 0 387.549 3.764 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000192799203 878107274 /nfs/dbraw/zinc/10/72/74/878107274.db2.gz MJFZZZCYKLTZAC-NRFANRHFSA-N 1 0 392.499 3.969 20 30 GHEDRO CCc1nnc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(C#N)c1CC ZINC000089266836 878188440 /nfs/dbraw/zinc/18/84/40/878188440.db2.gz ZNVYCZLIWNNLHR-UHFFFAOYSA-N 1 0 378.524 3.747 20 30 GHEDRO N#Cc1ccc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000530617764 878209270 /nfs/dbraw/zinc/20/92/70/878209270.db2.gz UYLJRCFZHRVGHD-JOCHJYFZSA-N 1 0 376.460 3.959 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OC ZINC000788640962 878232469 /nfs/dbraw/zinc/23/24/69/878232469.db2.gz UXIIISDXLUMBSN-BBRMVZONSA-N 1 0 384.436 3.717 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000852318813 878235586 /nfs/dbraw/zinc/23/55/86/878235586.db2.gz CCBIIEVDYWSRHT-LEWJYISDSA-N 1 0 378.472 3.533 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1F ZINC000852323587 878239066 /nfs/dbraw/zinc/23/90/66/878239066.db2.gz ZVHFDZCHBUWSGC-KXBFYZLASA-N 1 0 377.891 3.575 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000068310096 878285723 /nfs/dbraw/zinc/28/57/23/878285723.db2.gz PGQIXYOOLJHABN-ROUUACIJSA-N 1 0 381.442 3.817 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000068310099 878286683 /nfs/dbraw/zinc/28/66/83/878286683.db2.gz PGQIXYOOLJHABN-QZTJIDSGSA-N 1 0 381.442 3.817 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000451675077 878294118 /nfs/dbraw/zinc/29/41/18/878294118.db2.gz OPSGMOPLMUIPBP-GIVPXCGWSA-N 1 0 393.487 3.589 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000180028657 878357194 /nfs/dbraw/zinc/35/71/94/878357194.db2.gz ZZFCDHMIBYBPDK-NSHDSACASA-N 1 0 394.338 3.834 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]2CCCC[C@@H]12 ZINC000852494628 878374480 /nfs/dbraw/zinc/37/44/80/878374480.db2.gz DWXJWHFFWXKLBD-KSZLIROESA-N 1 0 376.884 3.796 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451715846 878386746 /nfs/dbraw/zinc/38/67/46/878386746.db2.gz QZHKPQIBZGHNJZ-FQEVSTJZSA-N 1 0 377.488 3.689 20 30 GHEDRO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000537852161 878430483 /nfs/dbraw/zinc/43/04/83/878430483.db2.gz VXBFJRFRPONOTO-YADARESESA-N 1 0 375.516 3.827 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC12CC([NH2+]C1CCN(c3ccccc3C#N)CC1)C2 ZINC001183196940 912348187 /nfs/dbraw/zinc/34/81/87/912348187.db2.gz KTXKRUHCODQMER-WRSRUZKNSA-N 1 0 396.535 3.562 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@]2(C1)CN(Cc1csc(C)n1)C(=O)CO2 ZINC001275119707 912357641 /nfs/dbraw/zinc/35/76/41/912357641.db2.gz VZRVXXSJDMSCIJ-FQEVSTJZSA-N 1 0 379.570 3.615 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000451885832 878620554 /nfs/dbraw/zinc/62/05/54/878620554.db2.gz BWIFSJOROGGKEF-UHFFFAOYSA-N 1 0 384.568 3.766 20 30 GHEDRO COc1ccc([C@@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2Cl)c(C)c1 ZINC000852844307 878631667 /nfs/dbraw/zinc/63/16/67/878631667.db2.gz CRCHACVJMARBDD-HSZRJFAPSA-N 1 0 396.918 3.866 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000530842519 878638661 /nfs/dbraw/zinc/63/86/61/878638661.db2.gz NNBBPVCDIVISOI-UHFFFAOYSA-N 1 0 384.524 3.802 20 30 GHEDRO C=C(C)C[NH+]1CCC(N2C(=O)[C@@H](c3cccc(Cl)c3Cl)N(C)C2=O)CC1 ZINC000853085677 878804863 /nfs/dbraw/zinc/80/48/63/878804863.db2.gz VHBIZHZJKAAKHU-QGZVFWFLSA-N 1 0 396.318 3.969 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460932582 878852782 /nfs/dbraw/zinc/85/27/82/878852782.db2.gz WCZUFDSTPPMISG-PZJWPPBQSA-N 1 0 397.567 3.908 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460932874 878852812 /nfs/dbraw/zinc/85/28/12/878852812.db2.gz OIHGSVAICNIIHM-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2cccs2)C2(CO)CCC2)cc1Cl ZINC000452064142 878889610 /nfs/dbraw/zinc/88/96/10/878889610.db2.gz ZBKFSTVUQWILRJ-GOSISDBHSA-N 1 0 389.908 3.705 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001183292968 912400038 /nfs/dbraw/zinc/40/00/38/912400038.db2.gz WRFCWKRXVCEVFU-GGAORHGYSA-N 1 0 385.511 3.713 20 30 GHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3sccc3C#N)cc2)C[C@H]1C ZINC000538241857 879068562 /nfs/dbraw/zinc/06/85/62/879068562.db2.gz BZINHFABXFSSHW-CALCHBBNSA-N 1 0 397.544 3.559 20 30 GHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccc(C#N)s3)cc2)C[C@H]1C ZINC000538243132 879069699 /nfs/dbraw/zinc/06/96/99/879069699.db2.gz QMYXROUAYOOTCM-CALCHBBNSA-N 1 0 397.544 3.559 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000853598449 879155231 /nfs/dbraw/zinc/15/52/31/879155231.db2.gz RIZDHCMGIPDVHH-BETUJISGSA-N 1 0 390.281 3.726 20 30 GHEDRO COCC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000789698433 879177542 /nfs/dbraw/zinc/17/75/42/879177542.db2.gz ZHUWDGRIUVJXBI-QGZVFWFLSA-N 1 0 387.524 3.873 20 30 GHEDRO C=CC[N@H+](Cc1cn(C)nc1-c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538281827 879179788 /nfs/dbraw/zinc/17/97/88/879179788.db2.gz APKGRMTZJAIQTQ-SFHVURJKSA-N 1 0 399.502 3.812 20 30 GHEDRO NC(=[NH+]OCc1ncsc1Br)c1ccc(N2CCCCC2)cc1 ZINC000853672576 879213817 /nfs/dbraw/zinc/21/38/17/879213817.db2.gz IJGQPGJYQGZWTF-UHFFFAOYSA-N 1 0 395.326 3.733 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@H]1C ZINC000531137273 879220225 /nfs/dbraw/zinc/22/02/25/879220225.db2.gz NTLQTASKHHXNJQ-PPXMBRMGSA-N 1 0 398.551 3.762 20 30 GHEDRO CCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000853772573 879273586 /nfs/dbraw/zinc/27/35/86/879273586.db2.gz JJZOQGMLVDELEB-SFHVURJKSA-N 1 0 382.533 3.912 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S/C=C\c1ccc([N+](=O)[O-])o1 ZINC000789892954 879340062 /nfs/dbraw/zinc/34/00/62/879340062.db2.gz LUBFMEOEVKZDQQ-ZROIWOOFSA-N 1 0 389.481 3.757 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452451573 879462228 /nfs/dbraw/zinc/46/22/28/879462228.db2.gz DAEYRNAYTIHXIB-BHIFYINESA-N 1 0 382.548 3.727 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)ccc1OCc1cccc(C#N)c1 ZINC000493519845 879494596 /nfs/dbraw/zinc/49/45/96/879494596.db2.gz DTKZBWMGMLYOLN-XZOQPEGZSA-N 1 0 380.488 3.787 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000790219814 879536623 /nfs/dbraw/zinc/53/66/23/879536623.db2.gz NUNODESDNDRQDX-GOSISDBHSA-N 1 0 378.369 3.615 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CCOCc3ccc(Cl)cc3Cl)n2c1 ZINC000181007599 879599093 /nfs/dbraw/zinc/59/90/93/879599093.db2.gz ISGWLOWCJFSGOX-UHFFFAOYSA-N 1 0 375.259 3.819 20 30 GHEDRO C=CC[C@]1(C(=O)NC2CC[NH+](CC(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790516849 879787617 /nfs/dbraw/zinc/78/76/17/879787617.db2.gz HAEWEBJATBFMPZ-JOCHJYFZSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443463 879825886 /nfs/dbraw/zinc/82/58/86/879825886.db2.gz AKMXEUAFZUOVKS-NHCUHLMSSA-N 1 0 376.500 3.846 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1C ZINC000139953329 879846624 /nfs/dbraw/zinc/84/66/24/879846624.db2.gz NLRQBYMWLFMGLJ-FQEVSTJZSA-N 1 0 395.551 3.787 20 30 GHEDRO CCc1ccc([C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+](C)C)cc1 ZINC000461449796 879888514 /nfs/dbraw/zinc/88/85/14/879888514.db2.gz ZAETZVUGDCSXKT-NRFANRHFSA-N 1 0 389.459 3.714 20 30 GHEDRO CN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000790781111 879995406 /nfs/dbraw/zinc/99/54/06/879995406.db2.gz COMQVZDXHLTGBL-FQEVSTJZSA-N 1 0 386.417 3.790 20 30 GHEDRO CC(C)N1C(=O)C[C@H]([NH2+]CCCSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494211295 879997541 /nfs/dbraw/zinc/99/75/41/879997541.db2.gz FLGKFHVPAGDHDG-FUHWJXTLSA-N 1 0 383.920 3.766 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000564388130 880019427 /nfs/dbraw/zinc/01/94/27/880019427.db2.gz VIICVJGEYBFJCM-GJZGRUSLSA-N 1 0 389.931 3.712 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3ccc4c(C#N)c[nH]c4c3)nc3ccc(C)cc3n12 ZINC001170148858 880216719 /nfs/dbraw/zinc/21/67/19/880216719.db2.gz HHPRFZKEVBVUSC-UHFFFAOYSA-N 1 0 395.470 3.949 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cccc(Br)c1 ZINC000610132832 880253637 /nfs/dbraw/zinc/25/36/37/880253637.db2.gz PLHNVJFMZXQJFA-UHFFFAOYSA-N 1 0 375.266 3.840 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531715850 880348357 /nfs/dbraw/zinc/34/83/57/880348357.db2.gz NJUFCKCSCORCJT-DNVCBOLYSA-N 1 0 398.457 3.812 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2ccccc2Cl)s1)C1N=CC=CC1=O ZINC000113360769 880544253 /nfs/dbraw/zinc/54/42/53/880544253.db2.gz UZRUWSBNGOQMKG-HNENSFHCSA-N 1 0 387.892 3.685 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791822472 880716639 /nfs/dbraw/zinc/71/66/39/880716639.db2.gz IIJBZZMIGIWOAR-LJQANCHMSA-N 1 0 388.471 3.502 20 30 GHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000429524317 880822750 /nfs/dbraw/zinc/82/27/50/880822750.db2.gz ZIMDIIRNVFRUAK-WOJBJXKFSA-N 1 0 398.482 3.591 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000453445784 880911136 /nfs/dbraw/zinc/91/11/36/880911136.db2.gz VBJCIWMBUMPYAN-PZJWPPBQSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000453445782 880911393 /nfs/dbraw/zinc/91/13/93/880911393.db2.gz VBJCIWMBUMPYAN-FPOVZHCZSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453446573 880914001 /nfs/dbraw/zinc/91/40/01/880914001.db2.gz WCBNAYFTXZFJFP-QHCPKHFHSA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c(CC(C)(C)C)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453424933 880926209 /nfs/dbraw/zinc/92/62/09/880926209.db2.gz LFVIOKLOMHAWST-UHFFFAOYSA-N 1 0 387.494 3.906 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000453426480 880927074 /nfs/dbraw/zinc/92/70/74/880927074.db2.gz RCQKBBLIMJXAPJ-FQEVSTJZSA-N 1 0 387.572 3.654 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000453465251 880969278 /nfs/dbraw/zinc/96/92/78/880969278.db2.gz MEMUJVZGOMAFJB-FPOVZHCZSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000453468609 880977782 /nfs/dbraw/zinc/97/77/82/880977782.db2.gz UWZRIQLDEDUDDP-HOJAQTOUSA-N 1 0 385.556 3.549 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)c(C)c(Br)c3)C2)C1=O ZINC001275212055 912643248 /nfs/dbraw/zinc/64/32/48/912643248.db2.gz CHXHENCFDGGLBN-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO CC(C)[C@H](C#N)c1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc1 ZINC001170167196 881131723 /nfs/dbraw/zinc/13/17/23/881131723.db2.gz UYTNFRINFZEXJE-NRFANRHFSA-N 1 0 377.492 3.818 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCCOC2)cc1OC ZINC000119767535 881142630 /nfs/dbraw/zinc/14/26/30/881142630.db2.gz AQPGTYDTQSDUMB-AWEZNQCLSA-N 1 0 384.314 3.881 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NCCc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000499144118 881270754 /nfs/dbraw/zinc/27/07/54/881270754.db2.gz VGKWKLXABMMHPV-QFIPXVFZSA-N 1 0 376.504 3.546 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000856477971 881277199 /nfs/dbraw/zinc/27/71/99/881277199.db2.gz VWDABZPNRQBNEB-NRFANRHFSA-N 1 0 390.531 3.818 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2cccc(C#N)c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494255535 881332357 /nfs/dbraw/zinc/33/23/57/881332357.db2.gz BLWAJPVFVGPJJI-LPHOPBHVSA-N 1 0 375.806 3.551 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000858528065 883175852 /nfs/dbraw/zinc/17/58/52/883175852.db2.gz ZMQJPOORVWWNCR-LRZVDXDASA-N 1 0 399.535 3.616 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CCO)CC(C)(C)C)c1C#N ZINC000609483442 883274434 /nfs/dbraw/zinc/27/44/34/883274434.db2.gz CPHRQTDYAHZUOP-UHFFFAOYSA-N 1 0 388.556 3.761 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000859095602 883584860 /nfs/dbraw/zinc/58/48/60/883584860.db2.gz VGRDNNBDVWFTJE-FQEVSTJZSA-N 1 0 375.472 3.659 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859214685 883667129 /nfs/dbraw/zinc/66/71/29/883667129.db2.gz MERCVQHNZWQXJO-FQEVSTJZSA-N 1 0 392.547 3.824 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000859254324 883695148 /nfs/dbraw/zinc/69/51/48/883695148.db2.gz TZACFJDWXGUGBJ-AEFFLSMTSA-N 1 0 382.426 3.566 20 30 GHEDRO CCC[NH+](CCC)CCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609212951 883724361 /nfs/dbraw/zinc/72/43/61/883724361.db2.gz LEIOJQWBYLNZIQ-UHFFFAOYSA-N 1 0 386.540 3.623 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC001130142372 883744989 /nfs/dbraw/zinc/74/49/89/883744989.db2.gz CUFLYMIOGIPTBW-UHFFFAOYSA-N 1 0 382.533 3.969 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000609878249 883766545 /nfs/dbraw/zinc/76/65/45/883766545.db2.gz UHOGZKBULDVBAZ-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000859367879 883778755 /nfs/dbraw/zinc/77/87/55/883778755.db2.gz OELAZQVEBRSOIC-AAEUAGOBSA-N 1 0 399.800 3.716 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@H](C)C1 ZINC000859419068 883806569 /nfs/dbraw/zinc/80/65/69/883806569.db2.gz JMCSSLPOCFFVAZ-KNQAVFIVSA-N 1 0 397.563 3.623 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000194730825 883912958 /nfs/dbraw/zinc/91/29/58/883912958.db2.gz NTPCNEYPRXUPOQ-UHFFFAOYSA-N 1 0 380.492 3.750 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cccc(SCc3ccccc3)c2)CC1 ZINC000805740930 884049263 /nfs/dbraw/zinc/04/92/63/884049263.db2.gz ROQVWYBYZSIAIJ-UHFFFAOYSA-N 1 0 378.541 3.940 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000760410301 884056643 /nfs/dbraw/zinc/05/66/43/884056643.db2.gz WWPUCCYGBBMTIL-GOSISDBHSA-N 1 0 395.507 3.527 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000610355165 884112619 /nfs/dbraw/zinc/11/26/19/884112619.db2.gz JFTPZOPGHXJSCK-SFHVURJKSA-N 1 0 392.503 3.545 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860038885 884281492 /nfs/dbraw/zinc/28/14/92/884281492.db2.gz XTGAZVRTOMAORN-NBYUQASBSA-N 1 0 397.519 3.644 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1Cl ZINC000556295779 884392307 /nfs/dbraw/zinc/39/23/07/884392307.db2.gz HHEBZHTYWNRERQ-NSISKUIASA-N 1 0 389.927 3.688 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000806294926 884575067 /nfs/dbraw/zinc/57/50/67/884575067.db2.gz KNXLOYFLDGFVKR-LEWJYISDSA-N 1 0 379.504 3.740 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000424177831 884614225 /nfs/dbraw/zinc/61/42/25/884614225.db2.gz VAMWTSAESRCPAD-PMACEKPBSA-N 1 0 383.488 3.964 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@@H]1C ZINC000498500669 884642501 /nfs/dbraw/zinc/64/25/01/884642501.db2.gz KIQBKVSTJLYDAS-LSDHHAIUSA-N 1 0 383.521 3.552 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154863651 884697245 /nfs/dbraw/zinc/69/72/45/884697245.db2.gz AHOHNXHTSCAVIX-VQTJNVASSA-N 1 0 397.482 3.800 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)C(C)C ZINC000044141044 884749110 /nfs/dbraw/zinc/74/91/10/884749110.db2.gz KRLBUYMXQMRVLV-NRFANRHFSA-N 1 0 398.551 3.743 20 30 GHEDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495203858 884803928 /nfs/dbraw/zinc/80/39/28/884803928.db2.gz SUXZJZVAQPENLK-QVKFZJNVSA-N 1 0 389.565 3.700 20 30 GHEDRO CC[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CCc2ccccc2C1 ZINC000914795945 884805556 /nfs/dbraw/zinc/80/55/56/884805556.db2.gz QDXOWQIXWLLGRA-HSZRJFAPSA-N 1 0 376.548 3.963 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000237702042 884818360 /nfs/dbraw/zinc/81/83/60/884818360.db2.gz PRRORYVFKIKSOH-UHFFFAOYSA-N 1 0 386.377 3.931 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000795813116 912866725 /nfs/dbraw/zinc/86/67/25/912866725.db2.gz HBXMKCLGMAGOLC-MRXNPFEDSA-N 1 0 386.355 3.752 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000615229122 884868936 /nfs/dbraw/zinc/86/89/36/884868936.db2.gz MXXSGWYHVKRGSW-PXAZEXFGSA-N 1 0 393.256 3.550 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000106275026 885025311 /nfs/dbraw/zinc/02/53/11/885025311.db2.gz DGIAORQQGOUMRW-LJQANCHMSA-N 1 0 395.906 3.603 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H]1C ZINC000248889161 885027787 /nfs/dbraw/zinc/02/77/87/885027787.db2.gz IQBJXTKLGBYAIL-VGOFRKELSA-N 1 0 378.472 3.768 20 30 GHEDRO C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1Cc1ccccc1 ZINC000556505308 885155354 /nfs/dbraw/zinc/15/53/54/885155354.db2.gz HUWLCMBXHDHVEK-HXUWFJFHSA-N 1 0 388.433 3.795 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1csc2ccccc12)C(C)C ZINC000495318706 885263070 /nfs/dbraw/zinc/26/30/70/885263070.db2.gz DHACQIAIVZLTKU-GOSISDBHSA-N 1 0 385.533 3.655 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000130888277 885288033 /nfs/dbraw/zinc/28/80/33/885288033.db2.gz XDZVINMPFKSIKK-UHFFFAOYSA-N 1 0 377.488 3.709 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000032247161 885303475 /nfs/dbraw/zinc/30/34/75/885303475.db2.gz KXPRGNKJOMICGO-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCC1 ZINC000453978945 885368034 /nfs/dbraw/zinc/36/80/34/885368034.db2.gz VMOFXAILUTVTFG-UHFFFAOYSA-N 1 0 383.536 3.516 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498703430 885409229 /nfs/dbraw/zinc/40/92/29/885409229.db2.gz LGDVKNOFWAALPN-FPOVZHCZSA-N 1 0 381.520 3.930 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537561889 885418902 /nfs/dbraw/zinc/41/89/02/885418902.db2.gz PDGXVPUJLCNKBJ-MJGOQNOKSA-N 1 0 387.572 3.845 20 30 GHEDRO N#C[C@@H]1C[C@H](F)CN1C(=O)CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001183982399 912940029 /nfs/dbraw/zinc/94/00/29/912940029.db2.gz PWUFLPGWCCNDEX-VXKWHMMOSA-N 1 0 379.479 3.932 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)C[NH+]1CCCCC1 ZINC000498728003 885529578 /nfs/dbraw/zinc/52/95/78/885529578.db2.gz IBHUDDKVJANYEJ-IBGZPJMESA-N 1 0 391.515 3.989 20 30 GHEDRO C=CCOc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000108217777 885647358 /nfs/dbraw/zinc/64/73/58/885647358.db2.gz RZVKPEGCSDJOPI-UHFFFAOYSA-N 1 0 393.531 3.584 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762222615 885773452 /nfs/dbraw/zinc/77/34/52/885773452.db2.gz SPUHQGPTYJMAPF-IBGZPJMESA-N 1 0 381.451 3.576 20 30 GHEDRO Cc1cc(C[N@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000487906549 885778853 /nfs/dbraw/zinc/77/88/53/885778853.db2.gz CVOXPXRWLKTAJT-SFHVURJKSA-N 1 0 378.394 3.757 20 30 GHEDRO N#CC1(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)CCCCC1 ZINC000027237070 885969788 /nfs/dbraw/zinc/96/97/88/885969788.db2.gz UVIQNHRBEVWCTI-UHFFFAOYSA-N 1 0 383.492 3.503 20 30 GHEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194967924 885985089 /nfs/dbraw/zinc/98/50/89/885985089.db2.gz UWRCHQKUEUNKPP-UHFFFAOYSA-N 1 0 378.432 3.768 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000808111804 886020699 /nfs/dbraw/zinc/02/06/99/886020699.db2.gz REIGTOZRHSXXIJ-NTEUORMPSA-N 1 0 389.499 3.703 20 30 GHEDRO C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1)C(=O)N(C)CCC#N ZINC000495548713 886061410 /nfs/dbraw/zinc/06/14/10/886061410.db2.gz RRNCWPDQVOQCTH-HNNXBMFYSA-N 1 0 381.442 3.867 20 30 GHEDRO COc1cccc(OCCN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c1 ZINC001168318115 886136460 /nfs/dbraw/zinc/13/64/60/886136460.db2.gz YUOZETQGIHLAQH-UHFFFAOYSA-N 1 0 393.531 3.693 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2-n2ccnc2)c(-c2ccccc2)n1 ZINC000113327479 886291920 /nfs/dbraw/zinc/29/19/20/886291920.db2.gz GQDFPNGHSYQBDO-UHFFFAOYSA-N 1 0 382.471 3.939 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862396204 886349582 /nfs/dbraw/zinc/34/95/82/886349582.db2.gz IDFYVWLNXOYQER-CWFSZBLJSA-N 1 0 385.508 3.550 20 30 GHEDRO N#CCCN(C(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1ccccc1 ZINC000118838203 886415169 /nfs/dbraw/zinc/41/51/69/886415169.db2.gz KNRPFZXAPBDVOX-UHFFFAOYSA-N 1 0 387.487 3.689 20 30 GHEDRO C#CCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CC[NH+](C)CC1 ZINC000919813651 886438931 /nfs/dbraw/zinc/43/89/31/886438931.db2.gz JHEGHVOZESQVIH-UHFFFAOYSA-N 1 0 392.528 3.526 20 30 GHEDRO C#CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000862575912 886468911 /nfs/dbraw/zinc/46/89/11/886468911.db2.gz AJBKTUAFCHLHKC-CEWLAPEOSA-N 1 0 378.541 3.836 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)ccc1OC ZINC000762602175 886517464 /nfs/dbraw/zinc/51/74/64/886517464.db2.gz LVETZJJPNQFJNC-UHFFFAOYSA-N 1 0 376.497 3.607 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000808616145 886557542 /nfs/dbraw/zinc/55/75/42/886557542.db2.gz UOIGZEKUZHXYIL-GLBTYYSXSA-N 1 0 377.488 3.801 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@H]1c1ccccc1 ZINC000487968483 886587381 /nfs/dbraw/zinc/58/73/81/886587381.db2.gz MVYTWHDBLSWFTF-ZWKOTPCHSA-N 1 0 399.292 3.888 20 30 GHEDRO C[NH+]=C(NCc1nc(C)cs1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000153599019 886624752 /nfs/dbraw/zinc/62/47/52/886624752.db2.gz OAJOFIVNJZKTDE-OAHLLOKOSA-N 1 0 398.454 3.619 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000119203852 886798123 /nfs/dbraw/zinc/79/81/23/886798123.db2.gz IANLEYSISOCSMG-LJQANCHMSA-N 1 0 391.515 3.822 20 30 GHEDRO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459253221 886827390 /nfs/dbraw/zinc/82/73/90/886827390.db2.gz HEMMZQIOKHZAHH-BULFRSBZSA-N 1 0 394.494 3.595 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666660979 886958317 /nfs/dbraw/zinc/95/83/17/886958317.db2.gz YRAQYTMTONNBBN-FQEVSTJZSA-N 1 0 387.572 3.959 20 30 GHEDRO C[C@H](O)C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000104964976 886988835 /nfs/dbraw/zinc/98/88/35/886988835.db2.gz SIKOGAKVAQYNNY-INIZCTEOSA-N 1 0 377.916 3.602 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193627382 887057784 /nfs/dbraw/zinc/05/77/84/887057784.db2.gz WCXOPBPAYIHTTP-UHFFFAOYSA-N 1 0 392.503 3.786 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc(C3SCCCS3)cc2)CC1 ZINC000171723960 887071869 /nfs/dbraw/zinc/07/18/69/887071869.db2.gz NTNKQRHKTICVRA-UHFFFAOYSA-N 1 0 392.590 3.701 20 30 GHEDRO C[C@H](Nc1nc2ccc(C(F)(F)F)cc2c(Cl)c1C#N)[C@@H]1C[NH2+]CCO1 ZINC001170570936 887095903 /nfs/dbraw/zinc/09/59/03/887095903.db2.gz ONDWXFMCXOWEGL-XPTSAGLGSA-N 1 0 384.789 3.567 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000863436687 887108323 /nfs/dbraw/zinc/10/83/23/887108323.db2.gz HWUSBICOSHXTNQ-UHFFFAOYSA-N 1 0 375.516 3.861 20 30 GHEDRO CCOCc1ccc(CNC(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000193758017 887421615 /nfs/dbraw/zinc/42/16/15/887421615.db2.gz NOMJQXCRSYXICQ-SFHVURJKSA-N 1 0 379.504 3.794 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000670227614 887559701 /nfs/dbraw/zinc/55/97/01/887559701.db2.gz ZAIMWROSQXDYQQ-KRWDZBQOSA-N 1 0 399.514 3.665 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2Cl)CC1 ZINC000809623741 887622859 /nfs/dbraw/zinc/62/28/59/887622859.db2.gz BMHNIKHSBICAJP-UHFFFAOYSA-N 1 0 398.894 3.702 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000153329001 887646801 /nfs/dbraw/zinc/64/68/01/887646801.db2.gz QOYVCXJBVKCIRE-DNVCBOLYSA-N 1 0 383.517 3.544 20 30 GHEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000809686031 887704136 /nfs/dbraw/zinc/70/41/36/887704136.db2.gz IWLLZTVKAJPXSV-INIZCTEOSA-N 1 0 386.879 3.868 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](C)N2CCc3ccccc32)cc1OCCCC#N ZINC000120005451 887733665 /nfs/dbraw/zinc/73/36/65/887733665.db2.gz LSJIYSLYRGGUCA-SFHVURJKSA-N 1 0 379.504 3.919 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001170591720 888015556 /nfs/dbraw/zinc/01/55/56/888015556.db2.gz DJTLFUREIFSMOD-UHFFFAOYSA-N 1 0 377.960 3.961 20 30 GHEDRO N#CCc1cccnc1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170596714 888127582 /nfs/dbraw/zinc/12/75/82/888127582.db2.gz XDYYNJZGKBBTQM-HSZRJFAPSA-N 1 0 386.499 3.623 20 30 GHEDRO CC#Cc1cncc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001170595827 888140696 /nfs/dbraw/zinc/14/06/96/888140696.db2.gz DZDNUMMJXUVDGZ-VWLOTQADSA-N 1 0 385.511 3.928 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000810151569 888240245 /nfs/dbraw/zinc/24/02/45/888240245.db2.gz COAWTKUQLKUKJZ-INIZCTEOSA-N 1 0 383.414 3.970 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000865695010 888519725 /nfs/dbraw/zinc/51/97/25/888519725.db2.gz KSLRFGDXMNVWTC-UHFFFAOYSA-N 1 0 375.501 3.835 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1Br ZINC000287320028 913260294 /nfs/dbraw/zinc/26/02/94/913260294.db2.gz VBRMGXUTVMZEIN-UHFFFAOYSA-N 1 0 391.313 3.803 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1OCc1cccnc1 ZINC000865848903 888609281 /nfs/dbraw/zinc/60/92/81/888609281.db2.gz QNPJASBZMXLNFM-JOCHJYFZSA-N 1 0 385.467 3.798 20 30 GHEDRO N#CCOc1cccc(CC(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000810588195 888665500 /nfs/dbraw/zinc/66/55/00/888665500.db2.gz XNYGBSYKUIQZSJ-OAQYLSRUSA-N 1 0 378.472 3.587 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001132351127 888673658 /nfs/dbraw/zinc/67/36/58/888673658.db2.gz HXECTRFNMZUGJT-OAQYLSRUSA-N 1 0 376.903 3.748 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccc(N2CCOC2=O)c1 ZINC000866449609 888883023 /nfs/dbraw/zinc/88/30/23/888883023.db2.gz YHEPIGVMUHLLNW-KRWDZBQOSA-N 1 0 390.487 3.834 20 30 GHEDRO COc1cccc(C(C)=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000916307155 888910510 /nfs/dbraw/zinc/91/05/10/888910510.db2.gz UFCQLFKDFIAERM-UHFFFAOYSA-N 1 0 396.560 3.548 20 30 GHEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532824992 889020301 /nfs/dbraw/zinc/02/03/01/889020301.db2.gz AUMLLVQAOPWAQE-FCHUYYIVSA-N 1 0 382.529 3.990 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1sccc1CC#N)c1cccc(C(F)(F)F)c1 ZINC000867462589 889060545 /nfs/dbraw/zinc/06/05/45/889060545.db2.gz GCQCDDDOGQTRTG-HNNXBMFYSA-N 1 0 381.423 3.866 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000532894485 889235910 /nfs/dbraw/zinc/23/59/10/889235910.db2.gz YAAAPKYWEHKRKT-ITGJCUMNSA-N 1 0 397.563 3.987 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867975856 889244420 /nfs/dbraw/zinc/24/44/20/889244420.db2.gz BIPRSJPABMUYNH-KSSFIOAISA-N 1 0 382.533 3.853 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1F ZINC000868128327 889309253 /nfs/dbraw/zinc/30/92/53/889309253.db2.gz LELNKWLZRPWZDF-QZTJIDSGSA-N 1 0 380.423 3.848 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C(F)(F)F)c1 ZINC000868209752 889354289 /nfs/dbraw/zinc/35/42/89/889354289.db2.gz LJPNPOLLPGNLHL-SQNIBIBYSA-N 1 0 394.441 3.583 20 30 GHEDRO CC1(C)CN(C(=O)c2coc(C#N)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000868645135 889540494 /nfs/dbraw/zinc/54/04/94/889540494.db2.gz UFACTUBBXIGISH-NRFANRHFSA-N 1 0 377.488 3.914 20 30 GHEDRO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000533020606 889571036 /nfs/dbraw/zinc/57/10/36/889571036.db2.gz ROJLUDMSXMPMDA-KRWDZBQOSA-N 1 0 376.460 3.950 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000533031058 889576977 /nfs/dbraw/zinc/57/69/77/889576977.db2.gz JXRQRHAHPMVBQI-QFIPXVFZSA-N 1 0 397.482 3.834 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000533053523 889633602 /nfs/dbraw/zinc/63/36/02/889633602.db2.gz MFHWGXTXPKKQGS-RZUBCFFCSA-N 1 0 396.579 3.887 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454905840 889949676 /nfs/dbraw/zinc/94/96/76/889949676.db2.gz GZFIMRLXHZYRCV-LEWJYISDSA-N 1 0 385.552 3.569 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CS2)C(C)C ZINC000125399848 889981944 /nfs/dbraw/zinc/98/19/44/889981944.db2.gz STHNYWUCMCGYNK-KRWDZBQOSA-N 1 0 388.537 3.551 20 30 GHEDRO C=CCn1c(=S)n(CN2CCn3cncc3C2)nc1-c1cccc(Cl)c1 ZINC000811787335 889999337 /nfs/dbraw/zinc/99/93/37/889999337.db2.gz JFJWTOLFMLKSTC-UHFFFAOYSA-N 1 0 386.912 3.590 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccccc1SCC#N ZINC000869799551 890072776 /nfs/dbraw/zinc/07/27/76/890072776.db2.gz GZKLFCNZFBKEHJ-PKOBYXMFSA-N 1 0 379.529 3.800 20 30 GHEDRO CCOC1CC2(C[C@H]2C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000870456878 890363939 /nfs/dbraw/zinc/36/39/39/890363939.db2.gz ORVFDYOGCMKWMT-KQVJYAISSA-N 1 0 382.504 3.541 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(C3OCCO3)cc2)c(-c2ccccc2)n1 ZINC000123150837 890368954 /nfs/dbraw/zinc/36/89/54/890368954.db2.gz TUJGJTIAJKNYJT-UHFFFAOYSA-N 1 0 388.471 3.799 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000812319050 890536843 /nfs/dbraw/zinc/53/68/43/890536843.db2.gz RPAOWIYYKSIZPU-YADHBBJMSA-N 1 0 395.478 3.645 20 30 GHEDRO CCCc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000455235495 890568557 /nfs/dbraw/zinc/56/85/57/890568557.db2.gz XIDRXOWAYXLAIT-UHFFFAOYSA-N 1 0 396.539 3.938 20 30 GHEDRO C=CCC1(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000644703881 913469912 /nfs/dbraw/zinc/46/99/12/913469912.db2.gz SZBXYXMHNRZAPP-BHDDXSALSA-N 1 0 382.548 3.776 20 30 GHEDRO O=C(C[NH2+]C1(c2ccccc2)CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000533486925 890699695 /nfs/dbraw/zinc/69/96/95/890699695.db2.gz JAWNFDRXICIVMW-UHFFFAOYSA-N 1 0 386.417 3.842 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2ncc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000533578041 890885268 /nfs/dbraw/zinc/88/52/68/890885268.db2.gz NJKGLFGPMWQMFR-NVXWUHKLSA-N 1 0 382.895 3.637 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000812772435 890948099 /nfs/dbraw/zinc/94/80/99/890948099.db2.gz VNDXNTXQKVPGKN-UHFFFAOYSA-N 1 0 384.277 3.638 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1C ZINC000812841878 891031562 /nfs/dbraw/zinc/03/15/62/891031562.db2.gz WLVJLZRCDLEXQG-ZRBLBEILSA-N 1 0 397.563 3.956 20 30 GHEDRO N#Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(F)c1 ZINC000609252433 891157297 /nfs/dbraw/zinc/15/72/97/891157297.db2.gz MXCVUUROZYCGMV-UHFFFAOYSA-N 1 0 398.507 3.610 20 30 GHEDRO C[NH+](C)C1(C)CCC(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 ZINC000872352848 891244412 /nfs/dbraw/zinc/24/44/12/891244412.db2.gz JQDICNVNOHHNFF-UHFFFAOYSA-N 1 0 392.429 3.642 20 30 GHEDRO Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2c1 ZINC000917125889 891339413 /nfs/dbraw/zinc/33/94/13/891339413.db2.gz GEBIYQQQPWCJTK-UHFFFAOYSA-N 1 0 384.483 3.928 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000287836238 913556320 /nfs/dbraw/zinc/55/63/20/913556320.db2.gz VXCQUQXDZMUBNI-DNVCBOLYSA-N 1 0 395.532 3.696 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000497431039 891563759 /nfs/dbraw/zinc/56/37/59/891563759.db2.gz DCFPVTGXYGLRKW-KRWDZBQOSA-N 1 0 376.504 3.976 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873317097 891579861 /nfs/dbraw/zinc/57/98/61/891579861.db2.gz ZVZBDXGJJLMJRR-YJBOKZPZSA-N 1 0 388.487 3.880 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000179221849 891623897 /nfs/dbraw/zinc/62/38/97/891623897.db2.gz POTRLMFNONMJKA-DJJJIMSYSA-N 1 0 387.842 3.838 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)o1 ZINC000814176650 892336462 /nfs/dbraw/zinc/33/64/62/892336462.db2.gz TWWGYNHTROGLQO-SFTDATJTSA-N 1 0 379.460 3.678 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000874839068 892347032 /nfs/dbraw/zinc/34/70/32/892347032.db2.gz TUSYDRSABWUOAI-FGZHOGPDSA-N 1 0 375.472 3.854 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192465017 892497014 /nfs/dbraw/zinc/49/70/14/892497014.db2.gz DRTPMAPGCROCRP-UHFFFAOYSA-N 1 0 382.435 3.680 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000814331347 892545990 /nfs/dbraw/zinc/54/59/90/892545990.db2.gz GNVRTVZUNXYEMU-UHFFFAOYSA-N 1 0 388.511 3.827 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645106132 913678432 /nfs/dbraw/zinc/67/84/32/913678432.db2.gz JYBMSCAYICCCMK-PBHICJAKSA-N 1 0 382.426 3.874 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271748513 892876747 /nfs/dbraw/zinc/87/67/47/892876747.db2.gz XCSKJQIFZSIQIA-LEWJYISDSA-N 1 0 392.499 3.722 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000876069301 892942745 /nfs/dbraw/zinc/94/27/45/892942745.db2.gz CLEREFWGFHHBEL-LJQANCHMSA-N 1 0 390.531 3.924 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000130561203 893041999 /nfs/dbraw/zinc/04/19/99/893041999.db2.gz QKMIZXYJTBZDRP-HOTGVXAUSA-N 1 0 389.927 3.563 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCOc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC000814678881 893063792 /nfs/dbraw/zinc/06/37/92/893063792.db2.gz ZMKOOSPEGXFRAT-KDURUIRLSA-N 1 0 385.508 3.516 20 30 GHEDRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000933611668 893098495 /nfs/dbraw/zinc/09/84/95/893098495.db2.gz SUFVDAXTOIUJSR-MRXNPFEDSA-N 1 0 390.487 3.723 20 30 GHEDRO CC(C)(C#N)[C@@H]1CCCC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000814727515 893104782 /nfs/dbraw/zinc/10/47/82/893104782.db2.gz QHWLPSKWRAEGDB-LJQANCHMSA-N 1 0 397.592 3.821 20 30 GHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508747356 893155231 /nfs/dbraw/zinc/15/52/31/893155231.db2.gz NHDRNEIMGXPOFM-UHFFFAOYSA-N 1 0 399.514 3.637 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)[NH+]2CCCC2)cc1 ZINC000455759900 893190851 /nfs/dbraw/zinc/19/08/51/893190851.db2.gz SRDXMVPPVVPQDH-LJQANCHMSA-N 1 0 399.882 3.574 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000778196094 893222016 /nfs/dbraw/zinc/22/20/16/893222016.db2.gz BNBXCSASZXAVGS-UHFFFAOYSA-N 1 0 388.508 3.917 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000562988912 893248507 /nfs/dbraw/zinc/24/85/07/893248507.db2.gz DCGNQADYQIINQQ-UHFFFAOYSA-N 1 0 394.899 3.692 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000126069272 893260089 /nfs/dbraw/zinc/26/00/89/893260089.db2.gz OMMGCBCJBSMFEA-UHFFFAOYSA-N 1 0 384.549 3.606 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455793149 893292924 /nfs/dbraw/zinc/29/29/24/893292924.db2.gz RTEJNEXVKBFZMA-UHFFFAOYSA-N 1 0 383.883 3.701 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001134820340 893357738 /nfs/dbraw/zinc/35/77/38/893357738.db2.gz JAOXSMSROIUTJV-MOCZXGNASA-N 1 0 385.511 3.988 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000876888831 893373289 /nfs/dbraw/zinc/37/32/89/893373289.db2.gz GYEKALTVXKZRNQ-INIZCTEOSA-N 1 0 390.742 3.544 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000498138914 893375574 /nfs/dbraw/zinc/37/55/74/893375574.db2.gz WYAWSYIIWDAPIY-UHFFFAOYSA-N 1 0 381.520 3.727 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000876902005 893379312 /nfs/dbraw/zinc/37/93/12/893379312.db2.gz JWYXKEBOVKCXIL-NVXWUHKLSA-N 1 0 394.947 3.758 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000876909684 893383939 /nfs/dbraw/zinc/38/39/39/893383939.db2.gz FIYDBIBASMYRNP-RDJZCZTQSA-N 1 0 376.863 3.739 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)cc1 ZINC001137114282 893388130 /nfs/dbraw/zinc/38/81/30/893388130.db2.gz DXUKLHFWVDRCRN-QFIPXVFZSA-N 1 0 391.471 3.747 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)cc1 ZINC001137116456 893515588 /nfs/dbraw/zinc/51/55/88/893515588.db2.gz FIWRUHQEAZPORC-UHFFFAOYSA-N 1 0 395.528 3.779 20 30 GHEDRO N#Cc1cnc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC001185290567 913783046 /nfs/dbraw/zinc/78/30/46/913783046.db2.gz JVNLSYIRDZDBPB-UHFFFAOYSA-N 1 0 385.855 3.839 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877496043 893646057 /nfs/dbraw/zinc/64/60/57/893646057.db2.gz KRLHEIBHOVEDQN-RHSMWYFYSA-N 1 0 379.501 3.505 20 30 GHEDRO COCC1(C#N)CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459519824 893688984 /nfs/dbraw/zinc/68/89/84/893688984.db2.gz HRJMBXNSPKVWCU-UHFFFAOYSA-N 1 0 379.508 3.812 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)cc1 ZINC001137122929 893701097 /nfs/dbraw/zinc/70/10/97/893701097.db2.gz ZHHACJHWLXQDEW-UHFFFAOYSA-N 1 0 375.394 3.930 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1CC[NH2+]CC1 ZINC000563497322 893828723 /nfs/dbraw/zinc/82/87/23/893828723.db2.gz XGBAHKUPOAMKCL-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877825076 893836817 /nfs/dbraw/zinc/83/68/17/893836817.db2.gz WXQBJNQNQYCKQB-SUMWQHHRSA-N 1 0 378.398 3.500 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000877943760 893905263 /nfs/dbraw/zinc/90/52/63/893905263.db2.gz QBNOFHKRTDHMBG-JPYJTQIMSA-N 1 0 387.487 3.701 20 30 GHEDRO COc1ccc(N2CCC[N@H+](CC[C@@](C#N)(C(C)=O)c3ccccc3)CC2)cc1 ZINC000877985350 893930522 /nfs/dbraw/zinc/93/05/22/893930522.db2.gz WUXJDZHDDSNINH-XMMPIXPASA-N 1 0 391.515 3.648 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1)c1ccccc1 ZINC000877996007 893936652 /nfs/dbraw/zinc/93/66/52/893936652.db2.gz LWDCBGAUUBPBGZ-XMMPIXPASA-N 1 0 395.547 3.588 20 30 GHEDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000536830961 893940127 /nfs/dbraw/zinc/94/01/27/893940127.db2.gz GCFABOOWIZRKLL-YUMQZZPRSA-N 1 0 379.272 3.853 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cc(Br)no1 ZINC000878010478 893944469 /nfs/dbraw/zinc/94/44/69/893944469.db2.gz MYJMCIHBXMVZGK-HNNXBMFYSA-N 1 0 378.270 3.500 20 30 GHEDRO N#CC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000934892102 894011790 /nfs/dbraw/zinc/01/17/90/894011790.db2.gz WURUNSRRIIHGOZ-WOJBJXKFSA-N 1 0 383.561 3.536 20 30 GHEDRO C#CCN(C)CCC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000815652544 894095708 /nfs/dbraw/zinc/09/57/08/894095708.db2.gz HPBJNFVAWJVABG-IBGZPJMESA-N 1 0 376.504 3.519 20 30 GHEDRO CC1(C#N)CCC([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459710820 894132900 /nfs/dbraw/zinc/13/29/00/894132900.db2.gz UUNCCTCRUGSIKZ-NNGSBXSVSA-N 1 0 383.305 3.801 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[NH+]2CCCC2)c1 ZINC000563842051 894250909 /nfs/dbraw/zinc/25/09/09/894250909.db2.gz OSGPWSLMNWPOTH-HXUWFJFHSA-N 1 0 382.439 3.665 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691154 894282658 /nfs/dbraw/zinc/28/26/58/894282658.db2.gz UODQSAAWPJTTOC-LJQANCHMSA-O 1 0 383.537 3.552 20 30 GHEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC(=O)NCc3cccc(C#N)c3)cc2)cs1 ZINC000537074856 894297250 /nfs/dbraw/zinc/29/72/50/894297250.db2.gz XNTWEGMIYYHRKY-OAHLLOKOSA-N 1 0 390.512 3.957 20 30 GHEDRO CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022733896 894334194 /nfs/dbraw/zinc/33/41/94/894334194.db2.gz FVRSKCVMMRVYPB-UHFFFAOYSA-O 1 0 386.541 3.577 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1cccc(C)c1 ZINC000022796140 894406799 /nfs/dbraw/zinc/40/67/99/894406799.db2.gz DBCLJABNIKECJB-UHFFFAOYSA-O 1 0 384.525 3.535 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000564001246 894428232 /nfs/dbraw/zinc/42/82/32/894428232.db2.gz BHWFORIQBFTGBV-LAUBAEHRSA-N 1 0 380.488 3.653 20 30 GHEDRO COc1ccccc1O[C@H]1CCC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878610890 894439783 /nfs/dbraw/zinc/43/97/83/894439783.db2.gz GNINMGZUGMSXMO-XUZZJYLKSA-N 1 0 392.499 3.979 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000537158783 894439959 /nfs/dbraw/zinc/43/99/59/894439959.db2.gz PBTOBYHPDIGMHD-QHCPKHFHSA-N 1 0 393.531 3.948 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC2(CC#N)CC2)C1 ZINC000878811391 894637193 /nfs/dbraw/zinc/63/71/93/894637193.db2.gz FUDLWNJUUPJUKQ-KZNAEPCWSA-N 1 0 377.529 3.607 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000564153468 894655773 /nfs/dbraw/zinc/65/57/73/894655773.db2.gz SXGASXDVNGTUQM-OAHLLOKOSA-N 1 0 382.460 3.975 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000564168776 894676710 /nfs/dbraw/zinc/67/67/10/894676710.db2.gz DQDMFWPTCZETRF-KRWDZBQOSA-N 1 0 399.539 3.511 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000564304195 894841620 /nfs/dbraw/zinc/84/16/20/894841620.db2.gz WPAAGYSEGDBCSG-WBVHZDCISA-N 1 0 386.858 3.866 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3[nH]nc4c3cccc4C)CC2)C1 ZINC001137142449 894913065 /nfs/dbraw/zinc/91/30/65/894913065.db2.gz ZYDNIVLDKRYCEL-UHFFFAOYSA-N 1 0 382.508 3.872 20 30 GHEDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000564536382 895063099 /nfs/dbraw/zinc/06/30/99/895063099.db2.gz FPUQNCHZMKVTAT-LJQANCHMSA-N 1 0 394.368 3.937 20 30 GHEDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000564548217 895070222 /nfs/dbraw/zinc/07/02/22/895070222.db2.gz AGTVPBCIRCOCPJ-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000564593829 895106576 /nfs/dbraw/zinc/10/65/76/895106576.db2.gz SWVVWVBSKNSADN-HSALFYBXSA-N 1 0 399.579 3.642 20 30 GHEDRO C=CCC1(O)CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000888777349 895136254 /nfs/dbraw/zinc/13/62/54/895136254.db2.gz OYUZZXPAAZBQFZ-UHFFFAOYSA-N 1 0 389.565 3.809 20 30 GHEDRO Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCCCC(C)(C)C#N)C2)cn1 ZINC000879606140 895170082 /nfs/dbraw/zinc/17/00/82/895170082.db2.gz QLWPHGADHRIHQF-ROUUACIJSA-N 1 0 388.556 3.887 20 30 GHEDRO CC1(C)[C@@H](c2cccc(Cl)c2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880087766 895505962 /nfs/dbraw/zinc/50/59/62/895505962.db2.gz VITJNUYJVILREH-RBUKOAKNSA-N 1 0 376.928 3.979 20 30 GHEDRO Cc1nccnc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000880106544 895518670 /nfs/dbraw/zinc/51/86/70/895518670.db2.gz LTHMKGMXLCYSKN-QWHCGFSZSA-N 1 0 383.521 3.522 20 30 GHEDRO CC(C)([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(OC(F)(F)F)cc1 ZINC000565363427 895565788 /nfs/dbraw/zinc/56/57/88/895565788.db2.gz XECJENDCTRWXMQ-UHFFFAOYSA-N 1 0 375.354 3.524 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000565434987 895621685 /nfs/dbraw/zinc/62/16/85/895621685.db2.gz QQCQDAICNXUVHG-UHFFFAOYSA-N 1 0 380.540 3.617 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H]3Cc4cccc(O)c4C3)sc2C1 ZINC000565937897 895994745 /nfs/dbraw/zinc/99/47/45/895994745.db2.gz NSYTYGQRLOTSQY-ZFWWWQNUSA-N 1 0 395.528 3.536 20 30 GHEDRO C=CC[N@H+](Cc1cccs1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000818165482 896049959 /nfs/dbraw/zinc/04/99/59/896049959.db2.gz RKOPDRPWZAKAKH-HXUWFJFHSA-N 1 0 380.554 3.888 20 30 GHEDRO C[C@@H]([NH3+])CCNc1cc(Br)cc(C#N)c1NC(=O)OC(C)(C)C ZINC001170890960 896072631 /nfs/dbraw/zinc/07/26/31/896072631.db2.gz QGQLSAAJMSSMJN-SNVBAGLBSA-N 1 0 383.290 3.817 20 30 GHEDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(N(C)CCC#N)cc3)C2)cc1 ZINC000818221887 896086345 /nfs/dbraw/zinc/08/63/45/896086345.db2.gz UWOPTYIJVGVIQX-HXUWFJFHSA-N 1 0 378.520 3.661 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c(OC)c1 ZINC000566121390 896122396 /nfs/dbraw/zinc/12/23/96/896122396.db2.gz FHAIOGFLBJYHFK-IMFGXOCKSA-N 1 0 383.488 3.665 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000818584823 896214062 /nfs/dbraw/zinc/21/40/62/896214062.db2.gz YKFVJJRAZICDDJ-UHFFFAOYSA-N 1 0 381.423 3.514 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)ccc1OC ZINC000819067730 896383664 /nfs/dbraw/zinc/38/36/64/896383664.db2.gz IRFKNEJIJSXBBA-MAUKXSAKSA-N 1 0 392.858 3.992 20 30 GHEDRO C=CC[C@@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccncc1 ZINC000819073396 896388425 /nfs/dbraw/zinc/38/84/25/896388425.db2.gz DNPFCWARZROMMW-MRXNPFEDSA-N 1 0 389.883 3.988 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000819217194 896511137 /nfs/dbraw/zinc/51/11/37/896511137.db2.gz RQCWHXMGFMYVSH-IRXDYDNUSA-N 1 0 388.533 3.596 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000819326669 896571095 /nfs/dbraw/zinc/57/10/95/896571095.db2.gz UHBSSJLNRAGQGJ-MOPGFXCFSA-N 1 0 385.508 3.503 20 30 GHEDRO C=C[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC001136209291 896605424 /nfs/dbraw/zinc/60/54/24/896605424.db2.gz FRFYBNCAZOFGCI-PWHSHALESA-N 1 0 378.516 3.882 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000819498355 896764682 /nfs/dbraw/zinc/76/46/82/896764682.db2.gz FAHRUZVNHOTXLH-CQSZACIVSA-N 1 0 388.002 3.828 20 30 GHEDRO CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000065512761 896848588 /nfs/dbraw/zinc/84/85/88/896848588.db2.gz YQNDNGXLXLQXFT-GOTSBHOMSA-N 1 0 378.516 3.762 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000567103482 896877033 /nfs/dbraw/zinc/87/70/33/896877033.db2.gz FJXPUGXNPBSJJE-RHSMWYFYSA-N 1 0 377.941 3.925 20 30 GHEDRO C=CCC1(C(=O)OC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(OC)cc2)CCOCC1 ZINC000820079876 897138957 /nfs/dbraw/zinc/13/89/57/897138957.db2.gz QHNZKMNJUFPFSB-FPOVZHCZSA-N 1 0 387.520 3.994 20 30 GHEDRO N#Cc1ccc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000567495785 897202205 /nfs/dbraw/zinc/20/22/05/897202205.db2.gz ZJRQTTACVRINCD-IBGZPJMESA-N 1 0 387.405 3.510 20 30 GHEDRO C#CCC1(O)CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000883173267 897341402 /nfs/dbraw/zinc/34/14/02/897341402.db2.gz GWHYYEAFIAJSNE-UHFFFAOYSA-N 1 0 397.563 3.511 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000567795717 897403567 /nfs/dbraw/zinc/40/35/67/897403567.db2.gz KFQKLEFNEGMONC-QUCCMNQESA-N 1 0 383.540 3.518 20 30 GHEDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000289382607 914167475 /nfs/dbraw/zinc/16/74/75/914167475.db2.gz CRWRVVQKOJLEIN-UHFFFAOYSA-N 1 0 383.492 3.811 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC(C[NH+](CC)CC)CC1)c1ccc(Cl)cc1F ZINC000820738499 897526517 /nfs/dbraw/zinc/52/65/17/897526517.db2.gz ZCSVVQRGIQQHSF-IBGZPJMESA-N 1 0 379.907 3.917 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)ccc1OC(F)F ZINC000883358905 897532703 /nfs/dbraw/zinc/53/27/03/897532703.db2.gz TVYYLWKXLWAIKC-CPCISQLKSA-N 1 0 379.272 3.506 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000568063860 897566198 /nfs/dbraw/zinc/56/61/98/897566198.db2.gz ZONCQLSUPSMYAX-UHFFFAOYSA-N 1 0 392.551 3.847 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000132354342 897762031 /nfs/dbraw/zinc/76/20/31/897762031.db2.gz YLIQUFICYJJJNA-DJJJIMSYSA-N 1 0 387.842 3.665 20 30 GHEDRO C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000883709322 897845262 /nfs/dbraw/zinc/84/52/62/897845262.db2.gz DPIPWOFMAVNGCO-WIYYLYMNSA-N 1 0 377.492 3.737 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000568567402 897942635 /nfs/dbraw/zinc/94/26/35/897942635.db2.gz WKWYXTSMIUUUGF-HKUYNNGSSA-N 1 0 393.384 3.973 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)CC1 ZINC000568588801 897960899 /nfs/dbraw/zinc/96/08/99/897960899.db2.gz RJQFUYJPHYYALC-UHFFFAOYSA-N 1 0 386.927 3.860 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC001136465422 897973819 /nfs/dbraw/zinc/97/38/19/897973819.db2.gz MXHOGNAJUZMCHE-SFHVURJKSA-N 1 0 392.341 3.634 20 30 GHEDRO N#CC[C@H](CC(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)c1ccccc1 ZINC000568875798 898182667 /nfs/dbraw/zinc/18/26/67/898182667.db2.gz PUYGEDKTYKRVDE-HXUWFJFHSA-N 1 0 384.483 3.971 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCc2c(C)noc2C)CC1 ZINC000106036829 898247041 /nfs/dbraw/zinc/24/70/41/898247041.db2.gz SIJCQVALPOTHCM-UHFFFAOYSA-N 1 0 383.492 3.641 20 30 GHEDRO Cc1ccnc(NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)c1C#N ZINC001185970109 914234856 /nfs/dbraw/zinc/23/48/56/914234856.db2.gz SZQPALRLSQXQGE-OALUTQOASA-N 1 0 378.520 3.883 20 30 GHEDRO CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000569009307 898271229 /nfs/dbraw/zinc/27/12/29/898271229.db2.gz UPUDLBUABJKCPZ-MSOLQXFVSA-N 1 0 378.438 3.684 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c(OC)c1 ZINC000569096657 898338821 /nfs/dbraw/zinc/33/88/21/898338821.db2.gz GYYGIHXHFWWUJL-XPNTWCBSSA-N 1 0 397.515 3.673 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000108532674 898387299 /nfs/dbraw/zinc/38/72/99/898387299.db2.gz DJZNCZUXQVLLDG-ULQDDVLXSA-N 1 0 390.553 3.559 20 30 GHEDRO C=C[C@](C)(O)CC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001136593565 898420404 /nfs/dbraw/zinc/42/04/04/898420404.db2.gz HARWZPQMLLDQOM-DEOSSOPVSA-N 1 0 380.532 3.883 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000822572870 898485330 /nfs/dbraw/zinc/48/53/30/898485330.db2.gz PZIIGOZGLODWJD-UHFFFAOYSA-N 1 0 376.500 3.792 20 30 GHEDRO CCOc1ccc(Oc2ccccc2NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884051926 898666621 /nfs/dbraw/zinc/66/66/21/898666621.db2.gz YPFFYJYYZLDCDL-BNGSBABLSA-N 1 0 391.471 3.955 20 30 GHEDRO O=C(OC[C@H](F)C(F)(F)F)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000800164823 898692737 /nfs/dbraw/zinc/69/27/37/898692737.db2.gz ALXYMBACESKSRR-JSGCOSHPSA-N 1 0 387.295 3.885 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC001136660111 898817029 /nfs/dbraw/zinc/81/70/29/898817029.db2.gz CMOUKFPHVYGQMN-UHFFFAOYSA-N 1 0 398.551 3.638 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)C2 ZINC000884094711 898855189 /nfs/dbraw/zinc/85/51/89/898855189.db2.gz SDPGJAFRFWZPPS-YTQCASCJSA-N 1 0 379.891 3.685 20 30 GHEDRO CCN(C(=O)c1ccc(C#N)c(OC)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000823125805 898862133 /nfs/dbraw/zinc/86/21/33/898862133.db2.gz PQXPCHVAHCBZJX-UWJYYQICSA-N 1 0 377.488 3.864 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4c(Cl)cccc43)C2=O)cc1 ZINC000569762024 898933746 /nfs/dbraw/zinc/93/37/46/898933746.db2.gz JSZXJBPGAIYUPO-LEWJYISDSA-N 1 0 379.891 3.980 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000043993480 899081000 /nfs/dbraw/zinc/08/10/00/899081000.db2.gz KPTMTOLFTUYIJK-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000570043221 899088098 /nfs/dbraw/zinc/08/80/98/899088098.db2.gz UNQJQGMLNVMDBU-LJQANCHMSA-N 1 0 395.478 3.624 20 30 GHEDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1O ZINC000331915978 899263301 /nfs/dbraw/zinc/26/33/01/899263301.db2.gz JGDJYQZJQXFJBP-SJORKVTESA-N 1 0 389.565 3.556 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000331989001 899322066 /nfs/dbraw/zinc/32/20/66/899322066.db2.gz UQUXVIACSYWZCS-XOBRGWDASA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)ccc1OC(F)(F)F ZINC000332351902 899599664 /nfs/dbraw/zinc/59/96/64/899599664.db2.gz YOSFASPPDPUWHI-UHFFFAOYSA-N 1 0 382.386 3.549 20 30 GHEDRO Cc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc(N2CCCC2)n1 ZINC000289837890 914373752 /nfs/dbraw/zinc/37/37/52/914373752.db2.gz PTALWAKZXJZFQL-UHFFFAOYSA-N 1 0 389.547 3.616 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000571055728 899727910 /nfs/dbraw/zinc/72/79/10/899727910.db2.gz 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CC[NH+]1CCN(c2ccc(NC(=O)Nc3cnc(C#N)c(Cl)c3)c(C)c2)CC1 ZINC000571994828 900027423 /nfs/dbraw/zinc/02/74/23/900027423.db2.gz GJXYEUARFNUFED-UHFFFAOYSA-N 1 0 398.898 3.701 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)ccc1OCc1cccc(C#N)c1 ZINC000572018144 900034955 /nfs/dbraw/zinc/03/49/55/900034955.db2.gz DFXNKIICDDIUDY-SFHVURJKSA-N 1 0 388.414 3.959 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000825269260 900065141 /nfs/dbraw/zinc/06/51/41/900065141.db2.gz HVSWJXPVMSWVRP-ICSRJNTNSA-N 1 0 398.551 3.810 20 30 GHEDRO Cc1nnc(N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c(C#N)c1C ZINC000884592240 900185818 /nfs/dbraw/zinc/18/58/18/900185818.db2.gz IYFOFYBADFXFCN-HXUWFJFHSA-N 1 0 391.519 3.591 20 30 GHEDRO Cc1ccc(C#N)c(N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000884592568 900187525 /nfs/dbraw/zinc/18/75/25/900187525.db2.gz QVFFCVXZRRBBDT-NRFANRHFSA-N 1 0 376.504 3.887 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1ccc(F)cc1OCC#N)[N@H+](C)Cc1ccccc1 ZINC000135271723 900212375 /nfs/dbraw/zinc/21/23/75/900212375.db2.gz YFSFQAZNCKWFMI-INIZCTEOSA-N 1 0 384.455 3.760 20 30 GHEDRO CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000135342472 900227262 /nfs/dbraw/zinc/22/72/62/900227262.db2.gz UUCNOSHSPJFAMC-IBGZPJMESA-N 1 0 396.466 3.856 20 30 GHEDRO COc1ccc(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc1C(F)(F)F ZINC001143636234 900257908 /nfs/dbraw/zinc/25/79/08/900257908.db2.gz CZEMEFQDSYTHRR-KGLIPLIRSA-N 1 0 389.311 3.941 20 30 GHEDRO C=CC[C@@H](CO)CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000572876714 900299137 /nfs/dbraw/zinc/29/91/37/900299137.db2.gz VZCGLULUFGLYGH-QGZVFWFLSA-N 1 0 377.554 3.571 20 30 GHEDRO N#CC1(c2ccccn2)CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000573190761 900410338 /nfs/dbraw/zinc/41/03/38/900410338.db2.gz YZMZRGKXSFTLFU-OAQYLSRUSA-N 1 0 399.498 3.502 20 30 GHEDRO N#CC(C#N)c1nc2ccccc2nc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171097499 900414626 /nfs/dbraw/zinc/41/46/26/900414626.db2.gz VRVMQJGORWZLDE-HNNXBMFYSA-N 1 0 378.439 3.520 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000573657057 900590152 /nfs/dbraw/zinc/59/01/52/900590152.db2.gz DXOYRSNPJALQJL-VFNWGFHPSA-N 1 0 389.565 3.964 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000573946088 900715564 /nfs/dbraw/zinc/71/55/64/900715564.db2.gz PENWGIKWQARUGT-FDDCHVKYSA-N 1 0 389.499 3.836 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCc1cccc(C#N)c1 ZINC000573997431 900732227 /nfs/dbraw/zinc/73/22/27/900732227.db2.gz ILVGSXYPCZHUCL-RTBURBONSA-N 1 0 390.531 3.557 20 30 GHEDRO C[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371316 900736908 /nfs/dbraw/zinc/73/69/08/900736908.db2.gz MIFJFHLIJLOZOY-XLIONFOSSA-N 1 0 387.524 3.561 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)cc1 ZINC000574032992 900753739 /nfs/dbraw/zinc/75/37/39/900753739.db2.gz BTAXWPWZLVLQIT-HXUWFJFHSA-N 1 0 384.907 3.758 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c(F)ccc(OCC)c1F)CC2 ZINC001143937929 900785559 /nfs/dbraw/zinc/78/55/59/900785559.db2.gz FLZXAGGNKCPMQN-OAQYLSRUSA-N 1 0 378.463 3.897 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc4cccc(Cl)c4n3)CC2)nc1 ZINC001137226521 900844232 /nfs/dbraw/zinc/84/42/32/900844232.db2.gz UIWFOHKBOLVNGX-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC000844457978 900849941 /nfs/dbraw/zinc/84/99/41/900849941.db2.gz BUADJNIKCOMFMP-BHIFYINESA-N 1 0 398.547 3.965 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC(C)(C)C#N)C1 ZINC000844458716 900887328 /nfs/dbraw/zinc/88/73/28/900887328.db2.gz GJWXIOPHRRSULK-KSZLIROESA-N 1 0 379.545 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC000844464658 900897661 /nfs/dbraw/zinc/89/76/61/900897661.db2.gz YIJLAZHTGAKVBG-HKBOAZHASA-N 1 0 399.535 3.985 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)CCC1 ZINC000886297571 900921904 /nfs/dbraw/zinc/92/19/04/900921904.db2.gz UZIIDRYIYYSIRX-IBGZPJMESA-N 1 0 386.540 3.817 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000886362918 900956862 /nfs/dbraw/zinc/95/68/62/900956862.db2.gz SEIKAYRQMQBBFB-HZPDHXFCSA-N 1 0 381.501 3.673 20 30 GHEDRO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(CCC#N)cc2)cc1Cl ZINC000886403854 900981947 /nfs/dbraw/zinc/98/19/47/900981947.db2.gz UXEBGJWYDILJJO-UHFFFAOYSA-N 1 0 377.897 3.659 20 30 GHEDRO CC[N@H+](CCCNC(=O)Nc1ccc(F)cc1OCC#N)C1CCCCC1 ZINC000844561831 901037821 /nfs/dbraw/zinc/03/78/21/901037821.db2.gz WTKOSORCEHIPFM-UHFFFAOYSA-N 1 0 376.476 3.894 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000067279908 901048710 /nfs/dbraw/zinc/04/87/10/901048710.db2.gz YQPGJEARQDHMCB-UHFFFAOYSA-N 1 0 394.519 3.718 20 30 GHEDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)n1-c1ccc(C#N)cc1 ZINC001144156310 901165001 /nfs/dbraw/zinc/16/50/01/901165001.db2.gz QYOQSAXDODKLEA-VXKWHMMOSA-N 1 0 376.504 3.713 20 30 GHEDRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)C[C@H]21 ZINC001144157715 901167663 /nfs/dbraw/zinc/16/76/63/901167663.db2.gz UMTMOUCWSLPLOV-LEWJYISDSA-N 1 0 390.487 3.672 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC[NH+](C)CC1 ZINC000886582454 901176930 /nfs/dbraw/zinc/17/69/30/901176930.db2.gz VOIAYACVBZGXDP-UHFFFAOYSA-N 1 0 391.446 3.659 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000575325855 901193489 /nfs/dbraw/zinc/19/34/89/901193489.db2.gz QTWKAZUXIYWHFF-DQLDELGASA-N 1 0 392.565 3.682 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000575325856 901193645 /nfs/dbraw/zinc/19/36/45/901193645.db2.gz QTWKAZUXIYWHFF-HBGVWJBISA-N 1 0 392.565 3.682 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(CC)nc2ccc(Cl)cn21)C(C)C ZINC001144204105 901281551 /nfs/dbraw/zinc/28/15/51/901281551.db2.gz KFRMKJITIQKSMJ-GOSISDBHSA-N 1 0 388.943 3.979 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080165755 901303893 /nfs/dbraw/zinc/30/38/93/901303893.db2.gz NMGUFHPRXVLNIV-AVRDEDQJSA-N 1 0 376.504 3.753 20 30 GHEDRO Cc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000772911046 901331551 /nfs/dbraw/zinc/33/15/51/901331551.db2.gz SJSOMPRCSGZAJZ-UHFFFAOYSA-N 1 0 376.504 3.570 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000091247677 901445546 /nfs/dbraw/zinc/44/55/46/901445546.db2.gz IKHNPCIXDZRIMA-DYESRHJHSA-N 1 0 376.504 3.849 20 30 GHEDRO C#CCC1([NH2+]Cc2nnc(-c3cc4ccccc4cc3OC)o2)CCOCC1 ZINC000887120578 901445601 /nfs/dbraw/zinc/44/56/01/901445601.db2.gz JMTOOGKXBAZBEU-UHFFFAOYSA-N 1 0 377.444 3.561 20 30 GHEDRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)CC1 ZINC000092145280 901475344 /nfs/dbraw/zinc/47/53/44/901475344.db2.gz UQLYENJMGGEFCR-UHFFFAOYSA-N 1 0 382.552 3.507 20 30 GHEDRO CC[NH+](CC)[C@H](C/N=C/c1c(O)c(C)ncc1CO)c1ccccc1Cl ZINC000005111048 914545318 /nfs/dbraw/zinc/54/53/18/914545318.db2.gz WFYMITPLPQBVQD-AZHVYHFMSA-N 1 0 375.900 3.743 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H]1CCc2ccccc21 ZINC001144279950 901582452 /nfs/dbraw/zinc/58/24/52/901582452.db2.gz HIVFJQXSHQDBNE-OAQYLSRUSA-N 1 0 377.440 3.660 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C/c3ccc4[nH]ccc4c3)CC2)c1 ZINC000845001780 901629423 /nfs/dbraw/zinc/62/94/23/901629423.db2.gz DJBJPQMZJAGGED-FNORWQNLSA-N 1 0 384.483 3.834 20 30 GHEDRO C[C@@]1(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1(Cl)Cl ZINC000845003216 901633350 /nfs/dbraw/zinc/63/33/50/901633350.db2.gz NXDVILSOXXARBN-GOSISDBHSA-N 1 0 380.319 3.613 20 30 GHEDRO C[C@H](Cc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845007990 901642348 /nfs/dbraw/zinc/64/23/48/901642348.db2.gz ZPKMZZHVOXYQAQ-QGZVFWFLSA-N 1 0 379.479 3.657 20 30 GHEDRO N#Cc1ccc(COC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000845120749 901803338 /nfs/dbraw/zinc/80/33/38/901803338.db2.gz CMZCVUBEWHUMFN-QGZVFWFLSA-N 1 0 397.406 3.561 20 30 GHEDRO C=C(C)CONC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000845598883 902256181 /nfs/dbraw/zinc/25/61/81/902256181.db2.gz BPZURQIEMSKJEN-RDJZCZTQSA-N 1 0 385.430 3.895 20 30 GHEDRO COc1ccc(F)c(CN2CCC([NH2+][C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171192841 902259249 /nfs/dbraw/zinc/25/92/49/902259249.db2.gz BWKYRHZLUYASSI-KRWDZBQOSA-N 1 0 381.495 3.891 20 30 GHEDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000576785812 902261006 /nfs/dbraw/zinc/26/10/06/902261006.db2.gz KPCHNQRUYQKJKN-HDICACEKSA-N 1 0 377.488 3.692 20 30 GHEDRO C=C[C@H](C)ONC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000845629474 902284731 /nfs/dbraw/zinc/28/47/31/902284731.db2.gz DAHBDVWTKOKWMA-YSVLISHTSA-N 1 0 385.430 3.894 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000576864003 902312717 /nfs/dbraw/zinc/31/27/17/902312717.db2.gz OQRAJAOPKHMVBN-OXJNMPFZSA-N 1 0 386.879 3.649 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000576897853 902342209 /nfs/dbraw/zinc/34/22/09/902342209.db2.gz XMMLLCPRAXTAPG-JQVVWYNYSA-N 1 0 392.551 3.696 20 30 GHEDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000576898133 902342555 /nfs/dbraw/zinc/34/25/55/902342555.db2.gz OLMFWDQSVOZLPG-LJQANCHMSA-N 1 0 378.476 3.692 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000576991800 902417129 /nfs/dbraw/zinc/41/71/29/902417129.db2.gz ORZJLVDVKSBAPQ-HOTGVXAUSA-N 1 0 395.469 3.898 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001171201622 902496834 /nfs/dbraw/zinc/49/68/34/902496834.db2.gz ORPYSMGTZYEYEO-CVDCTZTESA-N 1 0 375.516 3.703 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000577159681 902550691 /nfs/dbraw/zinc/55/06/91/902550691.db2.gz NMTURNGCIFNWFN-AUUYWEPGSA-N 1 0 391.500 3.570 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000778989272 902577512 /nfs/dbraw/zinc/57/75/12/902577512.db2.gz PSXUJLMFQDHCNR-DZGCQCFKSA-N 1 0 395.450 3.895 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)cc1 ZINC000846001249 902582456 /nfs/dbraw/zinc/58/24/56/902582456.db2.gz ZTHPXSGAAGPROS-BHDDXSALSA-N 1 0 398.547 3.952 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CCOC1 ZINC000577201722 902585270 /nfs/dbraw/zinc/58/52/70/902585270.db2.gz KBDHMLBLKJSTBG-LSDHHAIUSA-N 1 0 375.538 3.572 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000128176238 902619576 /nfs/dbraw/zinc/61/95/76/902619576.db2.gz ZTEKMDLRIZPKJW-OAQYLSRUSA-N 1 0 392.503 3.628 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001171211320 902648344 /nfs/dbraw/zinc/64/83/44/902648344.db2.gz CJZAVNAUSIWHNY-UZUQRXQVSA-N 1 0 377.463 3.757 20 30 GHEDRO COc1cc(Cl)cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1O ZINC000846113931 902690702 /nfs/dbraw/zinc/69/07/02/902690702.db2.gz DMKXPCQUTNOPEX-UHFFFAOYSA-N 1 0 385.895 3.680 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001171213306 902709683 /nfs/dbraw/zinc/70/96/83/902709683.db2.gz YLSHXCHTKLXRIZ-CYFREDJKSA-N 1 0 388.515 3.541 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C[C@H]12 ZINC001171215945 902721284 /nfs/dbraw/zinc/72/12/84/902721284.db2.gz FBNDSYDBQRBJLJ-NGXZDTIWSA-N 1 0 387.527 3.754 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000047987405 902722440 /nfs/dbraw/zinc/72/24/40/902722440.db2.gz MMTXXZXBAUKTOE-HXUWFJFHSA-N 1 0 382.895 3.848 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(NC4=CC[C@H](C#N)CC4)cc3)CC2)CC1 ZINC001212864047 902748784 /nfs/dbraw/zinc/74/87/84/902748784.db2.gz NHPBJBORRNIXBP-IBGZPJMESA-N 1 0 379.552 3.522 20 30 GHEDRO COc1ccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000264057461 902813154 /nfs/dbraw/zinc/81/31/54/902813154.db2.gz JPACPNKXDQJHHJ-UHFFFAOYSA-N 1 0 391.512 3.771 20 30 GHEDRO COc1ccc(-c2csc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)c2)cc1 ZINC000600727481 902850220 /nfs/dbraw/zinc/85/02/20/902850220.db2.gz JEGRGFAQAGIOIS-SFHVURJKSA-N 1 0 386.517 3.585 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)cc1 ZINC000129762903 902852084 /nfs/dbraw/zinc/85/20/84/902852084.db2.gz QNIQPWCJGODIEY-OAQYLSRUSA-N 1 0 385.471 3.763 20 30 GHEDRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000600736372 902859376 /nfs/dbraw/zinc/85/93/76/902859376.db2.gz PPUXJJJDZIDSQN-WEQDKIBNSA-N 1 0 384.520 3.788 20 30 GHEDRO C=CCCn1cc(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)nn1 ZINC000846781294 903198142 /nfs/dbraw/zinc/19/81/42/903198142.db2.gz VPJNUFNRGKBYBB-SFHVURJKSA-N 1 0 375.314 3.824 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC000846856914 903275015 /nfs/dbraw/zinc/27/50/15/903275015.db2.gz FFRKSBGCYKNEMF-YLJYHZDGSA-N 1 0 382.451 3.544 20 30 GHEDRO COC(=O)n1ccc2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)nc21 ZINC001171275457 903474764 /nfs/dbraw/zinc/47/47/64/903474764.db2.gz WKDAOOFLMOVLTO-UHFFFAOYSA-N 1 0 389.459 3.621 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000134176059 903475712 /nfs/dbraw/zinc/47/57/12/903475712.db2.gz JZJFPQRWKZVJNT-QFIPXVFZSA-N 1 0 394.519 3.519 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2Cl)cc1 ZINC000578120082 903537946 /nfs/dbraw/zinc/53/79/46/903537946.db2.gz MLNCELNUIOKVFM-KDOFPFPSSA-N 1 0 382.851 3.830 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001146431548 903538994 /nfs/dbraw/zinc/53/89/94/903538994.db2.gz LWWGMLMOOTYBTJ-LAUBAEHRSA-N 1 0 381.561 3.617 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001146431549 903539244 /nfs/dbraw/zinc/53/92/44/903539244.db2.gz LWWGMLMOOTYBTJ-UWJYYQICSA-N 1 0 381.561 3.617 20 30 GHEDRO N#CC1(Nc2ccc(OC(F)(F)F)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC001171277471 903544061 /nfs/dbraw/zinc/54/40/61/903544061.db2.gz SICVADHNRYFCMP-UHFFFAOYSA-N 1 0 376.382 3.950 20 30 GHEDRO CC1(C)Cc2cc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc2C(=O)N1 ZINC001171282692 903583023 /nfs/dbraw/zinc/58/30/23/903583023.db2.gz YLFBPUPUGUQBAV-UHFFFAOYSA-N 1 0 388.515 3.721 20 30 GHEDRO CC(C)(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136519676 903789356 /nfs/dbraw/zinc/78/93/56/903789356.db2.gz OGIVVFYXQXZJOL-KRWDZBQOSA-O 1 0 397.564 3.837 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001147589100 903829389 /nfs/dbraw/zinc/82/93/89/903829389.db2.gz STKVCIWITHQINZ-HXUWFJFHSA-N 1 0 394.519 3.574 20 30 GHEDRO CSc1ccccc1NC(=O)Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001186746554 914760022 /nfs/dbraw/zinc/76/00/22/914760022.db2.gz DWYYCRUCEUUWCS-UHFFFAOYSA-N 1 0 381.505 3.676 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000578492433 903901123 /nfs/dbraw/zinc/90/11/23/903901123.db2.gz QSAZCUXVSAEWDR-MDASCCDHSA-N 1 0 391.462 3.585 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(CC#N)cc1)c1cccc(OC)c1 ZINC000578526165 903933938 /nfs/dbraw/zinc/93/39/38/903933938.db2.gz XTRSBBXZEVOKIA-QFIPXVFZSA-N 1 0 394.519 3.644 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(O[C@H]2CCOC2)c1 ZINC000150767821 904019286 /nfs/dbraw/zinc/01/92/86/904019286.db2.gz CBAAKZBEWUUALF-QFIPXVFZSA-N 1 0 379.504 3.802 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)c3cccs3)c2)c1 ZINC000048715909 904060038 /nfs/dbraw/zinc/06/00/38/904060038.db2.gz DLZYSHPKRVVIAN-UHFFFAOYSA-N 1 0 391.496 3.718 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750534 904094160 /nfs/dbraw/zinc/09/41/60/904094160.db2.gz CGQCHOFEBZUDIK-NRFANRHFSA-N 1 0 377.488 3.800 20 30 GHEDRO Cc1cccc(N(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001148614475 904139804 /nfs/dbraw/zinc/13/98/04/904139804.db2.gz SQBCZDGRBKKYRK-IHLLOCCUSA-N 1 0 389.499 3.790 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000578849771 904178815 /nfs/dbraw/zinc/17/88/15/904178815.db2.gz RFDNWZMLSOXUNV-QFBILLFUSA-N 1 0 386.496 3.641 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@@H](C)c2cccs2)cc1 ZINC000151934284 904215883 /nfs/dbraw/zinc/21/58/83/904215883.db2.gz DQABXPWPCHPCKT-AWEZNQCLSA-O 1 0 399.565 3.621 20 30 GHEDRO C#CCSCC[NH2+][C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779116291 904312778 /nfs/dbraw/zinc/31/27/78/904312778.db2.gz KLGOBAJWSYFSSU-OAQYLSRUSA-N 1 0 387.570 3.698 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3nc4c(cc3C#N)COCC4)cc2)C1 ZINC000579075068 904331584 /nfs/dbraw/zinc/33/15/84/904331584.db2.gz XZWZYWRKRJTGQR-QZTJIDSGSA-N 1 0 390.531 3.538 20 30 GHEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000579126243 904364915 /nfs/dbraw/zinc/36/49/15/904364915.db2.gz KWXXTVGRYFKCLB-QVKFZJNVSA-N 1 0 383.442 3.548 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001171374741 904399479 /nfs/dbraw/zinc/39/94/79/904399479.db2.gz UZPUPFBHPWNISS-JXFKEZNVSA-N 1 0 377.488 3.575 20 30 GHEDRO CC(C)(C)OC(=O)CC[N@H+](Cc1ccc(C#N)cc1Cl)C1CCOCC1 ZINC000579349593 904534490 /nfs/dbraw/zinc/53/44/90/904534490.db2.gz QVBFDNDKVSXRTN-UHFFFAOYSA-N 1 0 378.900 3.924 20 30 GHEDRO N#CC1(N[C@H]2CCc3cc(F)c(F)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001171463522 904724042 /nfs/dbraw/zinc/72/40/42/904724042.db2.gz UNRQLLIZQWVKHX-FQEVSTJZSA-N 1 0 381.470 3.970 20 30 GHEDRO COC(=O)C1(Nc2ccc(C#N)c3[nH]ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171507597 904784095 /nfs/dbraw/zinc/78/40/95/904784095.db2.gz PLRWROVSILWZCE-UHFFFAOYSA-N 1 0 388.471 3.659 20 30 GHEDRO CC(C)C[C@H]([NH2+]C1CCC(c2ccc(Br)cc2)CC1)C(=O)NO ZINC001171649799 904895752 /nfs/dbraw/zinc/89/57/52/904895752.db2.gz HIBBVQYGBYGECW-PREGVCBESA-N 1 0 383.330 3.985 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1C[C@H](C)N(Cc3ccccc3)C1)C2 ZINC001171748695 904975105 /nfs/dbraw/zinc/97/51/05/904975105.db2.gz GMSLPTYPFXNWJX-IQFVJIFQSA-N 1 0 384.564 3.723 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccsc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC001186857938 914866327 /nfs/dbraw/zinc/86/63/27/914866327.db2.gz IMXIKSUTMNAYGV-WBVHZDCISA-N 1 0 391.562 3.664 20 30 GHEDRO CO[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000189367946 905060623 /nfs/dbraw/zinc/06/06/23/905060623.db2.gz LEZVQVHWISUITO-PBHICJAKSA-N 1 0 375.538 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2C#N)CC12CCC2 ZINC001171840074 905090592 /nfs/dbraw/zinc/09/05/92/905090592.db2.gz XIXFKDRICADVHG-SFHVURJKSA-N 1 0 385.508 3.849 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173748328 905112805 /nfs/dbraw/zinc/11/28/05/905112805.db2.gz JBQSZTDRPRUZKG-IEBWSBKVSA-N 1 0 379.508 3.695 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1OC ZINC000779190890 905276125 /nfs/dbraw/zinc/27/61/25/905276125.db2.gz RVCCRXYIVCVUNN-UHFFFAOYSA-N 1 0 389.883 3.747 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001172309686 905467767 /nfs/dbraw/zinc/46/77/67/905467767.db2.gz BIQYRWVDXBPTOJ-KRWDZBQOSA-N 1 0 381.907 3.991 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001172313987 905471649 /nfs/dbraw/zinc/47/16/49/905471649.db2.gz HDYBCHWMUFKORG-MBSDFSHPSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001172317083 905471693 /nfs/dbraw/zinc/47/16/93/905471693.db2.gz AZPAUPPYQCUMTB-SXSPYAJSSA-N 1 0 389.499 3.975 20 30 GHEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CN(CCOC)C(=O)[C@H]2COC)CC1 ZINC001172355051 905523028 /nfs/dbraw/zinc/52/30/28/905523028.db2.gz MBTISRDBJXSWNL-LEWJYISDSA-N 1 0 396.616 3.959 20 30 GHEDRO OC[C@@]1(c2ccccc2)CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000801581275 921156243 /nfs/dbraw/zinc/15/62/43/921156243.db2.gz DOXDVEBCZLXCTR-OAQYLSRUSA-N 1 0 389.417 3.963 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(C(=O)c2ccccc2Br)CC1 ZINC001172489679 905596017 /nfs/dbraw/zinc/59/60/17/905596017.db2.gz YFEQOFFAQHIGMD-AWEZNQCLSA-N 1 0 378.314 3.726 20 30 GHEDRO C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172563858 905627386 /nfs/dbraw/zinc/62/73/86/905627386.db2.gz PPFPCGMJJZFUGO-GPXNEJASSA-N 1 0 381.564 3.506 20 30 GHEDRO C#CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172684325 905734519 /nfs/dbraw/zinc/73/45/19/905734519.db2.gz ONZIQUFVQQAUKC-HXUWFJFHSA-N 1 0 382.529 3.508 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000628190879 906003029 /nfs/dbraw/zinc/00/30/29/906003029.db2.gz TVAJWRYTWTWGRI-BHIYHBOVSA-N 1 0 394.943 3.597 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(c3ccccc3)CCOCC2)C[C@H]1C#N ZINC001172970030 906031430 /nfs/dbraw/zinc/03/14/30/906031430.db2.gz CGODUUTZPYXWMG-OALUTQOASA-N 1 0 385.508 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C[C@H]1C#N ZINC001172972168 906035635 /nfs/dbraw/zinc/03/56/35/906035635.db2.gz WUXFWCOZEPMSLR-CVEARBPZSA-N 1 0 394.313 3.830 20 30 GHEDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977290 906042803 /nfs/dbraw/zinc/04/28/03/906042803.db2.gz AVXXPLIXNSUPNG-KGLIPLIRSA-N 1 0 376.888 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCOc3c(F)cc(F)cc32)C[C@H]1C#N ZINC001172977945 906043758 /nfs/dbraw/zinc/04/37/58/906043758.db2.gz JQPMCWSLWDFZCH-ZQIUZPCESA-N 1 0 393.434 3.670 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2cccc(Cl)c2F)C[C@H]1C#N ZINC001172977424 906044069 /nfs/dbraw/zinc/04/40/69/906044069.db2.gz FYKUGXOGJZCYSH-GJZGRUSLSA-N 1 0 381.879 3.903 20 30 GHEDRO CSc1ccc(OCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172982503 906047834 /nfs/dbraw/zinc/04/78/34/906047834.db2.gz CUDZPSXBDKTCSJ-HOTGVXAUSA-N 1 0 391.537 3.669 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1OC ZINC000628312818 906048585 /nfs/dbraw/zinc/04/85/85/906048585.db2.gz PUSGJGZVQGHZFM-QGZVFWFLSA-N 1 0 392.927 3.890 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)C[C@H]1C#N ZINC001172987382 906051392 /nfs/dbraw/zinc/05/13/92/906051392.db2.gz XZGBRXJNRXIPJS-ULQDDVLXSA-N 1 0 394.519 3.921 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000190615812 906175455 /nfs/dbraw/zinc/17/54/55/906175455.db2.gz PAIHQUCWXOFSGJ-LIRRHRJNSA-N 1 0 398.304 3.772 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H]2CC[C@H]3[C@H]2OCCN3C(=O)OC(C)(C)C)CC1 ZINC001173311481 906363558 /nfs/dbraw/zinc/36/35/58/906363558.db2.gz JZCBFQDTXPSXQV-AHTIFJERSA-N 1 0 394.556 3.504 20 30 GHEDRO CCCCCCCC[C@H](CCC)[N@@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001173309886 906363746 /nfs/dbraw/zinc/36/37/46/906363746.db2.gz MXYRUTZNTFPIJA-VXKWHMMOSA-N 1 0 382.589 3.855 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000178646998 906366739 /nfs/dbraw/zinc/36/67/39/906366739.db2.gz KGMMTIDFQXEFCB-MRXNPFEDSA-N 1 0 394.523 3.857 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)CC1 ZINC001173335044 906378308 /nfs/dbraw/zinc/37/83/08/906378308.db2.gz CZKGEQGKVBJOIB-XMJKJUTBSA-N 1 0 383.536 3.942 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335986 906378898 /nfs/dbraw/zinc/37/88/98/906378898.db2.gz JDUHZMDENTVCPB-NGICGMGXSA-N 1 0 377.529 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335987 906379842 /nfs/dbraw/zinc/37/98/42/906379842.db2.gz JDUHZMDENTVCPB-WIXQSORDSA-N 1 0 377.529 3.561 20 30 GHEDRO COCC[N@H+](C1CCC(CC#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173341359 906380980 /nfs/dbraw/zinc/38/09/80/906380980.db2.gz UQOQUWBYUIQZIG-ACBHZAAOSA-N 1 0 379.545 3.807 20 30 GHEDRO N#CCC1CCC([NH+]2CCC(Oc3ncc(Br)cn3)CC2)CC1 ZINC001173339752 906381767 /nfs/dbraw/zinc/38/17/67/906381767.db2.gz SHAGVGXBOKVVQB-UHFFFAOYSA-N 1 0 379.302 3.555 20 30 GHEDRO C=CCOC1CCC([N@H+]2CCO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173320327 906390609 /nfs/dbraw/zinc/39/06/09/906390609.db2.gz GLNMDXDRIKLLBO-OBFZPWGMSA-N 1 0 394.556 3.602 20 30 GHEDRO CC[N@H+](CCC#N)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173377045 906407110 /nfs/dbraw/zinc/40/71/10/906407110.db2.gz HFDQYVLDVCCTQF-BRWVUGGUSA-N 1 0 380.529 3.690 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3N3CCCC3)CC2)cc1 ZINC001173422231 906456278 /nfs/dbraw/zinc/45/62/78/906456278.db2.gz LHWWMYQDSSMQAY-UHFFFAOYSA-N 1 0 388.515 3.553 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](CCO)c3ccc(Cl)cc3)CC2)cc1 ZINC001173424584 906460402 /nfs/dbraw/zinc/46/04/02/906460402.db2.gz ZLXXLZMVCKIPQD-OAQYLSRUSA-N 1 0 397.906 3.530 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H](C)CCCCC(=O)OC)CC2)C1 ZINC001173444537 906484846 /nfs/dbraw/zinc/48/48/46/906484846.db2.gz BLYBCVAJZLRDRX-GOSISDBHSA-N 1 0 380.529 3.609 20 30 GHEDRO N#Cc1cc(C[NH2+]C2CCN(CC(=O)OCc3ccccc3)CC2)ccc1Cl ZINC001173466051 906503883 /nfs/dbraw/zinc/50/38/83/906503883.db2.gz GYEASBZLHGHEQL-UHFFFAOYSA-N 1 0 397.906 3.509 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173520271 906522429 /nfs/dbraw/zinc/52/24/29/906522429.db2.gz ONGNNUAISQINDG-VXKWHMMOSA-N 1 0 392.499 3.521 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCOCC3)C2)CC1 ZINC001173594745 906548409 /nfs/dbraw/zinc/54/84/09/906548409.db2.gz LHOCSSNWUYWYPR-NFJGTOLLSA-N 1 0 390.568 3.773 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001173596293 906550298 /nfs/dbraw/zinc/55/02/98/906550298.db2.gz QROGFYAOHCBMKP-HQNXYIODSA-N 1 0 392.547 3.950 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCC[C@H](Oc3ccccc3C#N)C1)CC2 ZINC001173621997 906568938 /nfs/dbraw/zinc/56/89/38/906568938.db2.gz HLLDYOOFIPZJCV-YTCBPCPPSA-N 1 0 382.504 3.913 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C#N ZINC000191048127 906570861 /nfs/dbraw/zinc/57/08/61/906570861.db2.gz HIAHFNAHGCYNJK-UHFFFAOYSA-N 1 0 377.319 3.958 20 30 GHEDRO COc1ccccc1COC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000179750933 906582823 /nfs/dbraw/zinc/58/28/23/906582823.db2.gz NCZNWFBSYOWAQH-UHFFFAOYSA-N 1 0 393.487 3.577 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(C(=O)N4CCCCC4)cc3)sc2C1 ZINC001174071016 906809770 /nfs/dbraw/zinc/80/97/70/906809770.db2.gz CKNHPASBAOQVNT-UHFFFAOYSA-N 1 0 380.517 3.977 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c(C#N)c1C ZINC000180850272 906859955 /nfs/dbraw/zinc/85/99/55/906859955.db2.gz YGWGHMFFXBSPSB-HUUCEWRRSA-N 1 0 377.448 3.632 20 30 GHEDRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)CC2)oc1C ZINC000181740176 907068111 /nfs/dbraw/zinc/06/81/11/907068111.db2.gz YEHADBWEEOHAOG-KRWDZBQOSA-N 1 0 382.508 3.757 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3nccn3CCc3ccccc3)CC2)cc1 ZINC000181868702 907093064 /nfs/dbraw/zinc/09/30/64/907093064.db2.gz ZYSUTZVUFDCRAJ-UHFFFAOYSA-N 1 0 399.542 3.752 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2)cc(OC)c1 ZINC000181880325 907094569 /nfs/dbraw/zinc/09/45/69/907094569.db2.gz ILWRVLXXOLFAMH-YLJYHZDGSA-N 1 0 395.503 3.531 20 30 GHEDRO Cc1cc(NCc2cnc3ccc(C#N)cn23)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191679508 907133030 /nfs/dbraw/zinc/13/30/30/907133030.db2.gz KYYOCIMRYGGXOZ-UHFFFAOYSA-N 1 0 388.519 3.657 20 30 GHEDRO COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1C#N ZINC001174754965 907208929 /nfs/dbraw/zinc/20/89/29/907208929.db2.gz RHYIKXRTJWIPKF-HXUWFJFHSA-N 1 0 375.472 3.808 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000184338184 907565417 /nfs/dbraw/zinc/56/54/17/907565417.db2.gz VUMLCWYOPBOEOG-MRXNPFEDSA-N 1 0 384.455 3.712 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000184346440 907566584 /nfs/dbraw/zinc/56/65/84/907566584.db2.gz YTFVTXKXEIPJKS-FKIZINRSSA-N 1 0 386.496 3.717 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCn3nccc32)cc1OC ZINC000631300587 907667451 /nfs/dbraw/zinc/66/74/51/907667451.db2.gz HSEYEIINGVAMJS-HNNXBMFYSA-N 1 0 392.297 3.844 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3ncc(C#N)cc3Br)cc2)CC1 ZINC001175779524 907739989 /nfs/dbraw/zinc/73/99/89/907739989.db2.gz JVVXMMYHRSWRRH-UHFFFAOYSA-N 1 0 386.297 3.601 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2cc(C#N)ccc2C(F)(F)F)cc1 ZINC001175811214 907768303 /nfs/dbraw/zinc/76/83/03/907768303.db2.gz FZAFQEGCYHMNFI-UHFFFAOYSA-N 1 0 376.382 3.612 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc1OC ZINC000185703199 907817499 /nfs/dbraw/zinc/81/74/99/907817499.db2.gz CBTRUEYKPTZMRX-UHFFFAOYSA-N 1 0 382.504 3.965 20 30 GHEDRO COc1cc2c(cc1OC)C1(CCC1)[N@H+](CCOc1ccccc1C#N)CC2 ZINC001176193216 907967984 /nfs/dbraw/zinc/96/79/84/907967984.db2.gz MLLBSBWHVSASGE-UHFFFAOYSA-N 1 0 378.472 3.892 20 30 GHEDRO CCC1([NH+]2CCC2)CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC001176234816 907997631 /nfs/dbraw/zinc/99/76/31/907997631.db2.gz IOFDCWPEPPXJAW-HXUWFJFHSA-N 1 0 382.552 3.581 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000186960344 908011281 /nfs/dbraw/zinc/01/12/81/908011281.db2.gz ABSIEVZFJBOPBY-UHFFFAOYSA-O 1 0 386.541 3.981 20 30 GHEDRO C[NH+](C)Cc1ccc(Nc2ccc(I)cc2C#N)cc1 ZINC001176292903 908017180 /nfs/dbraw/zinc/01/71/80/908017180.db2.gz YRGXWZIUOPVJFG-UHFFFAOYSA-N 1 0 377.229 3.968 20 30 GHEDRO C#CCC1([NH2+]C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CCC1 ZINC001176382066 908059397 /nfs/dbraw/zinc/05/93/97/908059397.db2.gz VILJLMRIBGIFNU-NRFANRHFSA-N 1 0 382.529 3.550 20 30 GHEDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000190383578 908477978 /nfs/dbraw/zinc/47/79/78/908477978.db2.gz KMGVMFGDAUJQJN-UHFFFAOYSA-N 1 0 389.908 3.501 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CC4(CCC4)Oc4ccccc43)C2=O)cc1 ZINC000190602957 908506770 /nfs/dbraw/zinc/50/67/70/908506770.db2.gz KGFBGAPWKWJKRF-RTWAWAEBSA-N 1 0 387.483 3.695 20 30 GHEDRO C[NH+]1CCC(CNC(=S)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000777476081 908661066 /nfs/dbraw/zinc/66/10/66/908661066.db2.gz FXJWYSDPKCRDMO-UHFFFAOYSA-N 1 0 380.517 3.979 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000801733462 921434594 /nfs/dbraw/zinc/43/45/94/921434594.db2.gz JAAVRYCIZPYJJH-LJQANCHMSA-N 1 0 389.293 3.955 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001177908045 908794948 /nfs/dbraw/zinc/79/49/48/908794948.db2.gz HPJGWYKOSCEOJK-DYXWJJEUSA-N 1 0 379.529 3.553 20 30 GHEDRO N#C[C@@H](Cc1cccs1)C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001177916088 908801568 /nfs/dbraw/zinc/80/15/68/908801568.db2.gz CZWVIIRIYYWOKD-HXUWFJFHSA-N 1 0 381.545 3.501 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1OC ZINC001178108631 908887312 /nfs/dbraw/zinc/88/73/12/908887312.db2.gz FRJYKPUDFWHAFF-CXAGYDPISA-N 1 0 395.341 3.595 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NCCSCc2ccccc2C#N)[NH+](C)C)cc1 ZINC000195720480 909035561 /nfs/dbraw/zinc/03/55/61/909035561.db2.gz YHLXXHFRSMXFJJ-NRFANRHFSA-N 1 0 396.560 3.702 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC001178550204 909103075 /nfs/dbraw/zinc/10/30/75/909103075.db2.gz ZAPFHNKNQWGNCK-QGZVFWFLSA-N 1 0 394.696 3.938 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1Br)CC2 ZINC001276025094 921470710 /nfs/dbraw/zinc/47/07/10/921470710.db2.gz KHCATEMNHACALA-INIZCTEOSA-N 1 0 377.326 3.662 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000266451775 909170787 /nfs/dbraw/zinc/17/07/87/909170787.db2.gz JRRYIJVOBFCXPU-IRXDYDNUSA-N 1 0 376.460 3.553 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC4(C3)CCOCC4)sc2C1 ZINC000266654362 909247755 /nfs/dbraw/zinc/24/77/55/909247755.db2.gz ZSHLYPXGFANGKA-OAHLLOKOSA-N 1 0 387.549 3.576 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001179081368 909378163 /nfs/dbraw/zinc/37/81/63/909378163.db2.gz FYNPOAQFDRBIIQ-WOJBJXKFSA-N 1 0 398.551 3.962 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000267503927 909534366 /nfs/dbraw/zinc/53/43/66/909534366.db2.gz VQFCPPBTSBEXQS-YLJYHZDGSA-N 1 0 378.476 3.764 20 30 GHEDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC001179470593 909542494 /nfs/dbraw/zinc/54/24/94/909542494.db2.gz YTBQXMGGULXQKT-XXBNENTESA-N 1 0 391.540 3.874 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC001179559308 909594308 /nfs/dbraw/zinc/59/43/08/909594308.db2.gz DWZVNNYMJSVLFF-JSGCOSHPSA-N 1 0 377.204 3.910 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000267751851 909619906 /nfs/dbraw/zinc/61/99/06/909619906.db2.gz PRSQQMKVKRDYOQ-UHFFFAOYSA-N 1 0 395.429 3.704 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cc1 ZINC000245733275 909867634 /nfs/dbraw/zinc/86/76/34/909867634.db2.gz KFIVWQPAIUTTOJ-AUUYWEPGSA-N 1 0 389.293 3.905 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1C#N ZINC000269848482 910366599 /nfs/dbraw/zinc/36/65/99/910366599.db2.gz QEXZGCWNMGCAHV-UHFFFAOYSA-N 1 0 399.495 3.609 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)CC1 ZINC000270055529 910421034 /nfs/dbraw/zinc/42/10/34/910421034.db2.gz DEMJWMQOBHIEJP-LJQANCHMSA-N 1 0 393.487 3.534 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)OCC ZINC000270063871 910424277 /nfs/dbraw/zinc/42/42/77/910424277.db2.gz PPVYHMZMJQCJJX-FQEVSTJZSA-N 1 0 377.504 3.666 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)CC1 ZINC000270499196 910590761 /nfs/dbraw/zinc/59/07/61/910590761.db2.gz UCOOVNTYSFTCTF-UHFFFAOYSA-N 1 0 397.954 3.755 20 30 GHEDRO N#Cc1cc(CC(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1F ZINC001181182742 910595197 /nfs/dbraw/zinc/59/51/97/910595197.db2.gz PSAKIMOXTUSHIP-RTWAWAEBSA-N 1 0 391.490 3.610 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(F)c(C#N)c1 ZINC001181193119 910602807 /nfs/dbraw/zinc/60/28/07/910602807.db2.gz AQZASFYNCLPGJE-OAQYLSRUSA-N 1 0 379.479 3.657 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000271259114 910837054 /nfs/dbraw/zinc/83/70/54/910837054.db2.gz YUKGRXLDWVVHTF-UHFFFAOYSA-N 1 0 392.931 3.814 20 30 GHEDRO N#Cc1ncn(CC[NH2+]Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)n1 ZINC001181598175 910852140 /nfs/dbraw/zinc/85/21/40/910852140.db2.gz DJBXBXQWVPGWQV-UHFFFAOYSA-N 1 0 389.793 3.663 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000271536168 910948074 /nfs/dbraw/zinc/94/80/74/910948074.db2.gz LQXLRLDJVNLCCY-UHFFFAOYSA-N 1 0 392.503 3.891 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC(C)(C)CCC#N)CC2(CCOCC2)C1 ZINC000720237784 911102836 /nfs/dbraw/zinc/10/28/36/911102836.db2.gz MHFXMFZTKXBKBH-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO CC(C)c1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(CO)c2)cc1 ZINC000284567728 911930741 /nfs/dbraw/zinc/93/07/41/911930741.db2.gz WRUKENHOKRCBKB-UHFFFAOYSA-O 1 0 383.537 3.671 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NCc3nc(Br)cs3)CC2)c1 ZINC001182655421 911954027 /nfs/dbraw/zinc/95/40/27/911954027.db2.gz ZREHZUGXLVDRTG-UHFFFAOYSA-N 1 0 391.338 3.531 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cccc(C)c3Br)CC2)C1=O ZINC001275006549 912107966 /nfs/dbraw/zinc/10/79/66/912107966.db2.gz WBFCSYTUYJUEFG-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014949 912148131 /nfs/dbraw/zinc/14/81/31/912148131.db2.gz QQERQPLFXIVMCW-YJYMSZOUSA-N 1 0 394.972 3.858 20 30 GHEDRO C[C@H]1[C@@H](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186945428 914910001 /nfs/dbraw/zinc/91/00/01/914910001.db2.gz ASKJMVZPQGWLDQ-MQGJPIDWSA-N 1 0 391.490 3.949 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(Cl)cc2Cl)cc1OC ZINC000303703302 915067180 /nfs/dbraw/zinc/06/71/80/915067180.db2.gz JKRMUSQRZIONIM-UHFFFAOYSA-N 1 0 382.291 3.658 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000291306927 915089797 /nfs/dbraw/zinc/08/97/97/915089797.db2.gz ODWHVYYISZYHJU-HSZRJFAPSA-N 1 0 398.510 3.801 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000647408561 915212700 /nfs/dbraw/zinc/21/27/00/915212700.db2.gz UNEMGNWLBBKKLA-QGZVFWFLSA-N 1 0 393.457 3.670 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCc2ccccc2OC2CCCC2)cc1OC ZINC000303872497 915231031 /nfs/dbraw/zinc/23/10/31/915231031.db2.gz CADXOCCUBPTJSR-UHFFFAOYSA-N 1 0 397.519 3.672 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCC(C)(C)c2ccc(Cl)cc2)cc1OC ZINC000303886367 915298562 /nfs/dbraw/zinc/29/85/62/915298562.db2.gz NREYEMRSGOQRGF-UHFFFAOYSA-N 1 0 375.900 3.739 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccc(OCc3ccccn3)c2)cc1OC ZINC000303894508 915300922 /nfs/dbraw/zinc/30/09/22/915300922.db2.gz OYHDWNHKDNUVFY-UHFFFAOYSA-N 1 0 392.459 3.605 20 30 GHEDRO CCNC(=O)COc1cccc(CNC(=[NH2+])Nc2ccc([C@@H](C)CC)cc2)c1 ZINC000303896649 915302648 /nfs/dbraw/zinc/30/26/48/915302648.db2.gz USBZCSKRKLVNPL-INIZCTEOSA-N 1 0 382.508 3.642 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCc2ccc(F)c(Br)c2)cc1OC ZINC000303902268 915305345 /nfs/dbraw/zinc/30/53/45/915305345.db2.gz XTJGFRNIQRZRPD-UHFFFAOYSA-N 1 0 396.260 3.575 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC(C)([NH3+])CC2)cc1OCC ZINC000647531734 915317631 /nfs/dbraw/zinc/31/76/31/915317631.db2.gz WQDSDZNVKHXKMX-UHFFFAOYSA-N 1 0 383.330 3.726 20 30 GHEDRO CCN(CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC000303984862 915348151 /nfs/dbraw/zinc/34/81/51/915348151.db2.gz SNKAELCCOWEOIS-UHFFFAOYSA-N 1 0 390.406 3.569 20 30 GHEDRO CCOc1c(Cl)cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1OC ZINC000304514959 915526494 /nfs/dbraw/zinc/52/64/94/915526494.db2.gz VEQMIKQJTAYKNM-MRXNPFEDSA-N 1 0 389.883 3.675 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000304642272 915585194 /nfs/dbraw/zinc/58/51/94/915585194.db2.gz CXDLUGAXRQYGFD-INIZCTEOSA-N 1 0 386.540 3.939 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1C ZINC000292304712 915610135 /nfs/dbraw/zinc/61/01/35/915610135.db2.gz DKZCLWXMFWFFRN-JTSKRJEESA-N 1 0 397.544 3.904 20 30 GHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1cccc(N2CC=CC2)c1 ZINC000304757686 915674003 /nfs/dbraw/zinc/67/40/03/915674003.db2.gz PCLBXXFSJSPRHI-UHFFFAOYSA-N 1 0 390.409 3.566 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCO[C@H]2CCCc3ccccc32)cc1OC ZINC000304763383 915700864 /nfs/dbraw/zinc/70/08/64/915700864.db2.gz WSWIFVBNTJVWMV-IBGZPJMESA-N 1 0 383.492 3.915 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000304762169 915700884 /nfs/dbraw/zinc/70/08/84/915700884.db2.gz VJJBZDGOCLIOQI-GOSISDBHSA-N 1 0 384.480 3.688 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC#Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000304792781 915702374 /nfs/dbraw/zinc/70/23/74/915702374.db2.gz LHKBIJLWQNDGQB-UHFFFAOYSA-N 1 0 377.366 3.501 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1OCCc2sccc21 ZINC000292518501 915721063 /nfs/dbraw/zinc/72/10/63/915721063.db2.gz WCXMMHWOLDPKCW-VOJFVSQTSA-N 1 0 375.881 3.504 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccnn2-c2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001188440654 915946275 /nfs/dbraw/zinc/94/62/75/915946275.db2.gz AHILFNGLHUVPNS-MEMLXQNLSA-N 1 0 399.498 3.656 20 30 GHEDRO C[C@@H](NC(=[NH2+])NC[C@]1(O)CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000305207547 916006881 /nfs/dbraw/zinc/00/68/81/916006881.db2.gz NKZWDSFCLIIVIQ-CWTRNNRKSA-N 1 0 378.303 3.793 20 30 GHEDRO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCc2ccccc2C1 ZINC000305217394 916011985 /nfs/dbraw/zinc/01/19/85/916011985.db2.gz INONJCOBFSMNIK-CQSZACIVSA-N 1 0 392.425 3.759 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4ccc(C#N)c(F)c4)cc3)C[C@H]2C1 ZINC001188701073 916122718 /nfs/dbraw/zinc/12/27/18/916122718.db2.gz QNYAJTCLQFHYQI-OYRHEFFESA-N 1 0 377.463 3.778 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360680116 916268429 /nfs/dbraw/zinc/26/84/29/916268429.db2.gz JQQGRWCCCWBDAG-HNNXBMFYSA-N 1 0 376.485 3.995 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1=O ZINC001275715119 916313826 /nfs/dbraw/zinc/31/38/26/916313826.db2.gz MWMXMFYZHAFSDQ-LJQANCHMSA-N 1 0 388.309 3.541 20 30 GHEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000360794718 916323343 /nfs/dbraw/zinc/32/33/43/916323343.db2.gz UQKOIXMIQZZHNO-HRAATJIYSA-N 1 0 393.487 3.590 20 30 GHEDRO CC(=O)c1cccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000649934540 916538908 /nfs/dbraw/zinc/53/89/08/916538908.db2.gz RHWRONUSPIRGBO-UHFFFAOYSA-N 1 0 376.460 3.547 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)C2)cc1 ZINC001189746538 916868454 /nfs/dbraw/zinc/86/84/54/916868454.db2.gz SQMJUUSLOQIFAI-FQEVSTJZSA-N 1 0 393.487 3.821 20 30 GHEDRO N#Cc1c(Cl)c(F)cc(C(=O)NCCc2c[nH]c3cc[nH+]cc23)c1Cl ZINC001189854732 916981378 /nfs/dbraw/zinc/98/13/78/916981378.db2.gz AKWBDOQTQVTCOZ-UHFFFAOYSA-N 1 0 377.206 3.853 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC)C2)ccc1OC ZINC000775348845 917109279 /nfs/dbraw/zinc/10/92/79/917109279.db2.gz YUOIZVMEKCCZCD-AEFFLSMTSA-N 1 0 376.497 3.607 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)c(F)c3)CC2)C1=O ZINC001275781952 917223866 /nfs/dbraw/zinc/22/38/66/917223866.db2.gz PPXKELFKJTWNDF-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1C#N ZINC000775375378 917265093 /nfs/dbraw/zinc/26/50/93/917265093.db2.gz RLMQEEYYQSDMLT-MRXNPFEDSA-N 1 0 375.394 3.954 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)c1ccccc1 ZINC000775399063 917436950 /nfs/dbraw/zinc/43/69/50/917436950.db2.gz FPKYTJGLXFIKOB-HXUWFJFHSA-N 1 0 376.435 3.613 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000775419769 917611084 /nfs/dbraw/zinc/61/10/84/917611084.db2.gz BDSJSHYYTDAYKO-BOCKYXSRSA-N 1 0 398.466 3.591 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c1 ZINC001190931755 917646381 /nfs/dbraw/zinc/64/63/81/917646381.db2.gz ZNPJPMPIDRAPQU-UHFFFAOYSA-N 1 0 399.498 3.830 20 30 GHEDRO CCCCCCCCNC(=O)N1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001191061002 917731528 /nfs/dbraw/zinc/73/15/28/917731528.db2.gz FDLLYCPUDQZLLJ-UHFFFAOYSA-N 1 0 389.588 3.921 20 30 GHEDRO CCCCCCCNC(=O)NC1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001191123590 917769127 /nfs/dbraw/zinc/76/91/27/917769127.db2.gz QGLYZMIVVUIUTG-UHFFFAOYSA-N 1 0 389.540 3.707 20 30 GHEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001191134219 917804579 /nfs/dbraw/zinc/80/45/79/917804579.db2.gz XANKEQFJHNVNTC-SFHVURJKSA-N 1 0 379.545 3.664 20 30 GHEDRO COC(=O)N1CCC(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000796500396 917867941 /nfs/dbraw/zinc/86/79/41/917867941.db2.gz MAALUHMQVIBENI-UHFFFAOYSA-N 1 0 393.487 3.705 20 30 GHEDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1(C)C ZINC000296133408 917887506 /nfs/dbraw/zinc/88/75/06/917887506.db2.gz SLOWXPJDWHLNGZ-KRWDZBQOSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001191549849 918067344 /nfs/dbraw/zinc/06/73/44/918067344.db2.gz HMZWODJSQOXNBH-DNVJHFABSA-N 1 0 394.515 3.666 20 30 GHEDRO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000796574760 918289291 /nfs/dbraw/zinc/28/92/91/918289291.db2.gz ZQYIZESDMYESRU-VQTJNVASSA-N 1 0 391.556 3.810 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)C2)C1 ZINC000296514982 918346371 /nfs/dbraw/zinc/34/63/71/918346371.db2.gz HALJQQCVZPZDGZ-NRFANRHFSA-N 1 0 395.532 3.555 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)c(C(F)(F)F)c1 ZINC001192110038 918415626 /nfs/dbraw/zinc/41/56/26/918415626.db2.gz CEQCAUJTLHYBFJ-INIZCTEOSA-N 1 0 379.426 3.961 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(C(F)(F)F)ccc3F)CC2)nc1 ZINC000113334574 919366247 /nfs/dbraw/zinc/36/62/47/919366247.db2.gz JBTDOLFJCINSIZ-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000114688628 919410698 /nfs/dbraw/zinc/41/06/98/919410698.db2.gz IDEQANGOUJVFKN-OAQYLSRUSA-N 1 0 389.499 3.884 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)C(N)=O)cc1 ZINC000115595206 919458803 /nfs/dbraw/zinc/45/88/03/919458803.db2.gz BSGKCQAKSGSTML-XUZZJYLKSA-N 1 0 394.478 3.988 20 30 GHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CCCC1 ZINC000119892537 919665123 /nfs/dbraw/zinc/66/51/23/919665123.db2.gz IUICOXDIYDGMIK-HSZRJFAPSA-N 1 0 392.547 3.972 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)[C@H](C)C1 ZINC000298377690 920464554 /nfs/dbraw/zinc/46/45/54/920464554.db2.gz DGXLEEYCPGLUJL-RRFJBIMHSA-N 1 0 375.538 3.572 20 30 GHEDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1=O ZINC001275979475 920646385 /nfs/dbraw/zinc/64/63/85/920646385.db2.gz HWUNMEZJXSSPKI-IBGZPJMESA-N 1 0 390.325 3.545 20 30 GHEDRO Cc1nc(C2(NCCC(=O)Nc3sc4c(c3C#N)CCC4)CCCCC2)no1 ZINC000298573524 920681478 /nfs/dbraw/zinc/68/14/78/920681478.db2.gz JCMAQDGEVVMWBF-UHFFFAOYSA-N 1 0 399.520 3.578 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367042393 921889383 /nfs/dbraw/zinc/88/93/83/921889383.db2.gz GUDCVPAWRAWGHX-WFAGLZIHSA-N 1 0 391.556 3.711 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000802714128 922354512 /nfs/dbraw/zinc/35/45/12/922354512.db2.gz DXDRBMJKMDUFNS-QGZVFWFLSA-N 1 0 378.476 3.710 20 30 GHEDRO N#Cc1ccc2ncc(C[NH+]3CCC(c4noc5cc(F)ccc54)CC3)n2c1 ZINC000368200558 922529985 /nfs/dbraw/zinc/52/99/85/922529985.db2.gz JYZHYGYAYQEPQA-UHFFFAOYSA-N 1 0 375.407 3.866 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccccc3F)C3CCOCC3)CC2)nc1 ZINC000903090033 922764993 /nfs/dbraw/zinc/76/49/93/922764993.db2.gz VMWGRNKFLMHEOP-HSZRJFAPSA-N 1 0 394.494 3.819 20 30 GHEDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000903173152 922829284 /nfs/dbraw/zinc/82/92/84/922829284.db2.gz KAJLMNVSXIFWMP-QFIPXVFZSA-N 1 0 397.544 3.507 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000803666030 923132157 /nfs/dbraw/zinc/13/21/57/923132157.db2.gz XMYVMEXJKPTGON-NRFANRHFSA-N 1 0 389.540 3.747 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c(C)cc(C#N)cc1C ZINC000903672133 923180849 /nfs/dbraw/zinc/18/08/49/923180849.db2.gz FGYFJMXHKORBTB-UHFFFAOYSA-N 1 0 392.503 3.578 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CCCCC1 ZINC000369218228 923211809 /nfs/dbraw/zinc/21/18/09/923211809.db2.gz GUFVIGWOGAYMBX-NRFANRHFSA-N 1 0 395.551 3.655 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCSC1 ZINC000748648641 923762045 /nfs/dbraw/zinc/76/20/45/923762045.db2.gz YHSWQDLPDYLMAL-RBBKRZOGSA-N 1 0 394.544 3.901 20 30 GHEDRO CC1(COC(=O)COc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000749051084 923996190 /nfs/dbraw/zinc/99/61/90/923996190.db2.gz FATNQWGROVNCRX-UHFFFAOYSA-N 1 0 378.472 3.783 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000370675694 924250437 /nfs/dbraw/zinc/25/04/37/924250437.db2.gz DJJPGJPABNQTBZ-HNAYVOBHSA-N 1 0 375.900 3.735 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000370899289 924343930 /nfs/dbraw/zinc/34/39/30/924343930.db2.gz LSWJVKDCXCAISH-YADHBBJMSA-N 1 0 384.568 3.504 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccsc1 ZINC000409461079 924653684 /nfs/dbraw/zinc/65/36/84/924653684.db2.gz XPOVYWPUMOKDRW-HXUWFJFHSA-N 1 0 393.516 3.618 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c2ccccc21 ZINC000678640963 924862734 /nfs/dbraw/zinc/86/27/34/924862734.db2.gz PSVFNMHLNCKTHR-RBUKOAKNSA-N 1 0 379.504 3.876 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1)C(C)C ZINC000678670121 924880126 /nfs/dbraw/zinc/88/01/26/924880126.db2.gz VHMRFLSDYIWZHK-QHAWAJNXSA-N 1 0 377.573 3.533 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@](C)(C#N)CCc2ccccc2)CC1 ZINC000371818944 924882145 /nfs/dbraw/zinc/88/21/45/924882145.db2.gz NIBROEONPQDUPN-QHCPKHFHSA-N 1 0 376.504 3.638 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3[nH]nc4ccccc43)C[C@@H]2c2ccccc2)C1=O ZINC001137346163 924897674 /nfs/dbraw/zinc/89/76/74/924897674.db2.gz NGAQPAGQIOLVGR-YKSBVNFPSA-N 1 0 386.499 3.567 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(Cl)c1F)CC2 ZINC001276066172 925110535 /nfs/dbraw/zinc/11/05/35/925110535.db2.gz WLMLZWYIRXTDIW-UHFFFAOYSA-N 1 0 377.891 3.987 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3ccc(OCC[NH+](C)C)c(OC)c3)no2)cc1 ZINC000680701776 925573301 /nfs/dbraw/zinc/57/33/01/925573301.db2.gz BFWNVDVOUMGQBW-UHFFFAOYSA-N 1 0 395.459 3.917 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]c2ccc(Br)cc12 ZINC001276104658 925702374 /nfs/dbraw/zinc/70/23/74/925702374.db2.gz OJFYTONSPQZJSR-QZTJIDSGSA-N 1 0 388.309 3.682 20 30 GHEDRO C[C@]1(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1(Cl)Cl ZINC000827602549 925826122 /nfs/dbraw/zinc/82/61/22/925826122.db2.gz XQPPOMHETMCNBH-GOSISDBHSA-N 1 0 375.303 3.812 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000411163460 926147188 /nfs/dbraw/zinc/14/71/88/926147188.db2.gz FPXHAQCJGLFVOR-INIZCTEOSA-N 1 0 379.460 3.569 20 30 GHEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000411381575 926346516 /nfs/dbraw/zinc/34/65/16/926346516.db2.gz BCILTPSFRCWXQE-XOBRGWDASA-N 1 0 399.878 3.680 20 30 GHEDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)s1 ZINC000827943288 926370375 /nfs/dbraw/zinc/37/03/75/926370375.db2.gz VJZXSKNQIRFYGM-GDBMZVCRSA-N 1 0 385.489 3.600 20 30 GHEDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411452299 926411976 /nfs/dbraw/zinc/41/19/76/926411976.db2.gz PGYOMXTWVZMQLU-LBPRGKRZSA-N 1 0 387.480 3.936 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@]3(C)CCO[C@H]3C3CC3)sc2C1 ZINC000411513499 926469481 /nfs/dbraw/zinc/46/94/81/926469481.db2.gz PFBSTYDABLIRPM-XFPJRNFQSA-N 1 0 387.549 3.620 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000725905237 926491533 /nfs/dbraw/zinc/49/15/33/926491533.db2.gz MTWSWCGOQVJDJT-FQEVSTJZSA-N 1 0 389.499 3.598 20 30 GHEDRO C#Cc1cccc(NC(=S)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000726439598 926664162 /nfs/dbraw/zinc/66/41/62/926664162.db2.gz DQSWRULQZDFZSC-NRFANRHFSA-N 1 0 379.529 3.800 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1OCCc2sccc21 ZINC000411762641 926739787 /nfs/dbraw/zinc/73/97/87/926739787.db2.gz XKOQXAJAZBTKDZ-CWTRNNRKSA-N 1 0 389.908 3.894 20 30 GHEDRO C=CC[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000749202438 927000569 /nfs/dbraw/zinc/00/05/69/927000569.db2.gz OQPVMCNRPVKTPM-LAUBAEHRSA-N 1 0 379.508 3.619 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@H]3CCCC[C@@H]3C2)c1=S ZINC000749975301 927380062 /nfs/dbraw/zinc/38/00/62/927380062.db2.gz HFCLFFNBGMRCQQ-RTBURBONSA-N 1 0 389.613 3.708 20 30 GHEDRO CCN1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374841588 927589872 /nfs/dbraw/zinc/58/98/72/927589872.db2.gz DVKINJSQZWDELG-AZUAARDMSA-N 1 0 395.469 3.929 20 30 GHEDRO C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C[N@@H+](CC)CCC)cc2)c1 ZINC000750867972 927906541 /nfs/dbraw/zinc/90/65/41/927906541.db2.gz XQTCKBNYUOUMCJ-UHFFFAOYSA-N 1 0 391.515 3.611 20 30 GHEDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(OCc3ccccc3C#N)cc1)CC2 ZINC000375205722 928040196 /nfs/dbraw/zinc/04/01/96/928040196.db2.gz FIMSBENDNSJQIY-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO N#Cc1ncc(C(F)(F)F)cc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000413233456 928347858 /nfs/dbraw/zinc/34/78/58/928347858.db2.gz DMMGTVXOWNMHTF-KRWDZBQOSA-N 1 0 390.409 3.541 20 30 GHEDRO COC(=O)COc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000544035938 928716174 /nfs/dbraw/zinc/71/61/74/928716174.db2.gz CSYNUVUOYRXHKB-UHFFFAOYSA-N 1 0 394.471 3.590 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCOc2ccc(OC)cc21)C(C)C ZINC000467273844 928902946 /nfs/dbraw/zinc/90/29/46/928902946.db2.gz TUHVBKPJKSAFIB-PMACEKPBSA-N 1 0 387.524 3.517 20 30 GHEDRO CC1(C)CCc2cc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2O1 ZINC000752928243 929095364 /nfs/dbraw/zinc/09/53/64/929095364.db2.gz DMLCYFAPVJXKKB-NRFANRHFSA-N 1 0 389.499 3.553 20 30 GHEDRO COCCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000544373544 929104753 /nfs/dbraw/zinc/10/47/53/929104753.db2.gz NFPWMHQEJYWDLK-YPAWHYETSA-N 1 0 391.515 3.906 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000467677145 929296415 /nfs/dbraw/zinc/29/64/15/929296415.db2.gz QHIQLEBBHLWAEO-UHFFFAOYSA-N 1 0 377.488 3.695 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000467721454 929340097 /nfs/dbraw/zinc/34/00/97/929340097.db2.gz UYEYROLMQHMGEA-KSFYIVLOSA-N 1 0 375.472 3.757 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000467759009 929379438 /nfs/dbraw/zinc/37/94/38/929379438.db2.gz LFYAGBGHFYNULS-TZIWHRDSSA-N 1 0 386.584 3.895 20 30 GHEDRO CC[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757111810 929649822 /nfs/dbraw/zinc/64/98/22/929649822.db2.gz XXRZEFCHVKEMFX-ICSRJNTNSA-N 1 0 387.524 3.952 20 30 GHEDRO CC[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757111814 929649968 /nfs/dbraw/zinc/64/99/68/929649968.db2.gz XXRZEFCHVKEMFX-UYAOXDASSA-N 1 0 387.524 3.952 20 30 GHEDRO CC[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757111808 929650196 /nfs/dbraw/zinc/65/01/96/929650196.db2.gz XXRZEFCHVKEMFX-AZUAARDMSA-N 1 0 387.524 3.952 20 30 GHEDRO O=c1nc(NN=C2CC[NH+](CCc3ccc(F)cc3)CC2)[nH]c2ccccc12 ZINC000757584452 929735830 /nfs/dbraw/zinc/73/58/30/929735830.db2.gz WAFXPDPEWAOANN-UHFFFAOYSA-N 1 0 379.439 3.581 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCOCC2(CCC2)C1 ZINC000546104164 929856526 /nfs/dbraw/zinc/85/65/26/929856526.db2.gz MNSKCAWGGVZSFX-OAHLLOKOSA-N 1 0 387.549 3.718 20 30 GHEDRO CC(=NNc1cncc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000758119838 929930099 /nfs/dbraw/zinc/93/00/99/929930099.db2.gz PAGZDPTWIWFUED-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000469550795 929983567 /nfs/dbraw/zinc/98/35/67/929983567.db2.gz ZDXKTCYGBFMWOB-HNNXBMFYSA-N 1 0 379.342 3.595 20 30 GHEDRO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469737658 930124954 /nfs/dbraw/zinc/12/49/54/930124954.db2.gz RWEXCRJEIQRGRV-STQMWFEESA-N 1 0 384.307 3.643 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2SCC)cc1 ZINC000469776009 930154949 /nfs/dbraw/zinc/15/49/49/930154949.db2.gz PFDHKXRGGAOVDN-UXHICEINSA-N 1 0 389.565 3.986 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000759055473 930259478 /nfs/dbraw/zinc/25/94/78/930259478.db2.gz WTCUEINLDDNIAC-UHFFFAOYSA-O 1 0 383.924 3.940 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000469989426 930298520 /nfs/dbraw/zinc/29/85/20/930298520.db2.gz FRHUMBZVSFWEIN-HIFRSBDPSA-N 1 0 383.330 3.582 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)c2)c1 ZINC000470164767 930422567 /nfs/dbraw/zinc/42/25/67/930422567.db2.gz YANNZLHSWDFARF-QFIPXVFZSA-N 1 0 389.499 3.884 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000470298707 930516453 /nfs/dbraw/zinc/51/64/53/930516453.db2.gz RBHGMWFNBJRNIH-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO c1ccc(C[N@@H+]2C[C@@H]3CCCC(N=Nc4nc(-c5ccncc5)no4)[C@@H]3C2)cc1 ZINC000781123111 930707851 /nfs/dbraw/zinc/70/78/51/930707851.db2.gz WHPQXODUPYSSRN-RBUKOAKNSA-N 1 0 388.475 3.832 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781211379 930743288 /nfs/dbraw/zinc/74/32/88/930743288.db2.gz KPEAKZDUYXGZLT-NVXWUHKLSA-N 1 0 380.492 3.633 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000547416869 930996987 /nfs/dbraw/zinc/99/69/87/930996987.db2.gz PHEOGSYWTXLLBY-QGZVFWFLSA-N 1 0 378.476 3.695 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)sc2C1 ZINC000470921502 931036024 /nfs/dbraw/zinc/03/60/24/931036024.db2.gz ZMLVYJYONXSNEE-QWQRMKEZSA-N 1 0 387.549 3.572 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCSCc1ccccc1 ZINC000470940104 931046750 /nfs/dbraw/zinc/04/67/50/931046750.db2.gz LEPGQOAZZNGJEB-UHFFFAOYSA-N 1 0 381.545 3.772 20 30 GHEDRO CCN(CC)C(=O)CCC1CC[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000782281895 931154770 /nfs/dbraw/zinc/15/47/70/931154770.db2.gz KOOXINJCKCQOFU-UHFFFAOYSA-N 1 0 393.535 3.740 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNc1ccc(OCC(F)(F)F)cc1 ZINC000783839738 931685903 /nfs/dbraw/zinc/68/59/03/931685903.db2.gz QPLRHVKWTFXOSL-UHFFFAOYSA-N 1 0 375.354 3.963 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)cc(OC)c1OC ZINC000925357793 931755049 /nfs/dbraw/zinc/75/50/49/931755049.db2.gz VMAPBFYLAVRZFE-INIZCTEOSA-N 1 0 378.476 3.864 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](C(C)(C)C)C2)c1=S ZINC000784032293 931761575 /nfs/dbraw/zinc/76/15/75/931761575.db2.gz NKGBABNZACERHR-GOSISDBHSA-N 1 0 391.629 3.954 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCc1nccs1 ZINC000925443486 931785328 /nfs/dbraw/zinc/78/53/28/931785328.db2.gz QIMGKSYICJOIDH-INIZCTEOSA-N 1 0 392.569 3.985 20 30 GHEDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)[nH]n1 ZINC000925560246 931823404 /nfs/dbraw/zinc/82/34/04/931823404.db2.gz FGMWNWMQJGJUCT-DOTOQJQBSA-N 1 0 389.544 3.558 20 30 GHEDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925702551 931881036 /nfs/dbraw/zinc/88/10/36/931881036.db2.gz BPGPFFKIAPHDMG-ROUUACIJSA-N 1 0 393.572 3.693 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC000784507446 931918072 /nfs/dbraw/zinc/91/80/72/931918072.db2.gz IOXBMLPJUSVFGZ-MISYRCLQSA-N 1 0 385.508 3.714 20 30 GHEDRO COC[C@]1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CCCN1C(=O)OC(C)(C)C ZINC000797116037 932189326 /nfs/dbraw/zinc/18/93/26/932189326.db2.gz VXPBKOJWHJMLPM-QVKFZJNVSA-N 1 0 391.487 3.764 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cccc(Cl)c2Cl)cc1 ZINC000558733347 932199573 /nfs/dbraw/zinc/19/95/73/932199573.db2.gz DIMHMZJAISAAQI-MRXNPFEDSA-N 1 0 379.287 3.631 20 30 GHEDRO COC(=O)c1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C#N ZINC000558737392 932201900 /nfs/dbraw/zinc/20/19/00/932201900.db2.gz BCVQSVBZAFVWLY-QFIPXVFZSA-N 1 0 391.515 3.735 20 30 GHEDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926539383 932221837 /nfs/dbraw/zinc/22/18/37/932221837.db2.gz JPQDAVZKMHBKKJ-JZXOWHBKSA-N 1 0 379.545 3.709 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000926583409 932235370 /nfs/dbraw/zinc/23/53/70/932235370.db2.gz GYKFRWDYTHFPTO-XDNAFOTISA-N 1 0 379.545 3.709 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccnn2-c2ccccc2OC)cc(OC)c1OC ZINC000797465786 932292905 /nfs/dbraw/zinc/29/29/05/932292905.db2.gz HTPCOLAEKIKWTQ-UHFFFAOYSA-N 1 0 393.487 3.916 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000558918976 932316546 /nfs/dbraw/zinc/31/65/46/932316546.db2.gz IYOURCNXJIBTSQ-UXHICEINSA-N 1 0 395.453 3.710 20 30 GHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000926831582 932321406 /nfs/dbraw/zinc/32/14/06/932321406.db2.gz DSKYQEISPJURCA-IAGOWNOFSA-N 1 0 379.545 3.711 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000558978236 932350292 /nfs/dbraw/zinc/35/02/92/932350292.db2.gz CJPJCAVDNNLNDE-ICSRJNTNSA-N 1 0 392.551 3.678 20 30 GHEDRO CCNc1nc(N=NC2CCC([N@H+](C)Cc3ccccc3)CC2)nc(NCC)n1 ZINC000797785426 932407116 /nfs/dbraw/zinc/40/71/16/932407116.db2.gz DQEWTHVJCBDSNR-UHFFFAOYSA-N 1 0 396.543 3.578 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(N=Nc2ccc(-n3ccnc3)nn2)CC1 ZINC000797788448 932407804 /nfs/dbraw/zinc/40/78/04/932407804.db2.gz OTOLBILXNFVUDL-UHFFFAOYSA-N 1 0 375.480 3.505 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000927298499 932490866 /nfs/dbraw/zinc/49/08/66/932490866.db2.gz JCEMDJFCCRLHLC-TVRKMHQQSA-N 1 0 394.441 3.868 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798072645 932518046 /nfs/dbraw/zinc/51/80/46/932518046.db2.gz QIEQLEQYPYNHFX-SFHVURJKSA-N 1 0 380.492 3.777 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c2ccccc2n1 ZINC000559270752 932569558 /nfs/dbraw/zinc/56/95/58/932569558.db2.gz PHHQYESFFRAWEZ-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1C#N ZINC000799031547 932857464 /nfs/dbraw/zinc/85/74/64/932857464.db2.gz BRXIZXCHMDVWKI-UHFFFAOYSA-N 1 0 384.549 3.501 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)CC1 ZINC000928390040 932961914 /nfs/dbraw/zinc/96/19/14/932961914.db2.gz UDJSKZJNECWMKU-MRXNPFEDSA-N 1 0 378.438 3.544 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000799358592 932967327 /nfs/dbraw/zinc/96/73/27/932967327.db2.gz NFCKTEMLIWFSBW-QGZVFWFLSA-N 1 0 382.508 3.938 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cc(C)c(C)o1 ZINC000799867181 933146699 /nfs/dbraw/zinc/14/66/99/933146699.db2.gz HCWXLBDRTPQFJX-UHFFFAOYSA-N 1 0 384.549 3.749 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(C#N)cs2)CC1 ZINC000560473064 933276715 /nfs/dbraw/zinc/27/67/15/933276715.db2.gz DIQXLJFEEKOXFY-UHFFFAOYSA-N 1 0 375.881 3.998 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000560494065 933289222 /nfs/dbraw/zinc/28/92/22/933289222.db2.gz VREJAPVVBWEQML-BHDDXSALSA-N 1 0 380.513 3.600 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000560515076 933304171 /nfs/dbraw/zinc/30/41/71/933304171.db2.gz CLVAXDSPRMOFIX-DEOSSOPVSA-N 1 0 388.515 3.853 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccco1 ZINC000560537964 933323427 /nfs/dbraw/zinc/32/34/27/933323427.db2.gz NCXXCNFTAZHATA-OAHLLOKOSA-N 1 0 386.876 3.648 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1COc2ccccc21 ZINC000560713517 933486930 /nfs/dbraw/zinc/48/69/30/933486930.db2.gz HNEFEXSUEMGGGT-CXAGYDPISA-N 1 0 381.501 3.591 20 30 GHEDRO N#C[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000930146027 933859490 /nfs/dbraw/zinc/85/94/90/933859490.db2.gz OYZDNRCRKNHYRI-SFHVURJKSA-N 1 0 397.523 3.659 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 ZINC001117786806 934022603 /nfs/dbraw/zinc/02/26/03/934022603.db2.gz FAMGOUYBZDGBSL-UHFFFAOYSA-N 1 0 386.540 3.631 20 30 GHEDRO CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[NH+]1CCCCC1 ZINC000561306783 934040243 /nfs/dbraw/zinc/04/02/43/934040243.db2.gz PFVLLMNLPNWAAW-NRFANRHFSA-N 1 0 387.499 3.578 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000561542426 934256212 /nfs/dbraw/zinc/25/62/12/934256212.db2.gz JFAALFVPKOMFFP-FCEUIQTBSA-N 1 0 385.552 3.677 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000561542428 934256476 /nfs/dbraw/zinc/25/64/76/934256476.db2.gz JFAALFVPKOMFFP-NNWRFLSQSA-N 1 0 385.552 3.677 20 30 GHEDRO C#CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CCCc2ccccc21 ZINC000931126653 934389574 /nfs/dbraw/zinc/38/95/74/934389574.db2.gz JYPAINURXCQKLQ-NRFANRHFSA-N 1 0 391.519 3.695 20 30 GHEDRO CCCN(C(=O)c1ccc(C#N)c(C)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001119919363 934415948 /nfs/dbraw/zinc/41/59/48/934415948.db2.gz GLQVDJVRSZWRCB-UHFFFAOYSA-N 1 0 376.504 3.779 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001120511656 934469560 /nfs/dbraw/zinc/46/95/60/934469560.db2.gz SDJMMUSXKBRJLI-ROUUACIJSA-N 1 0 391.556 3.591 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001121495468 934674344 /nfs/dbraw/zinc/67/43/44/934674344.db2.gz ICVJVSGUEJIGHZ-ZVDOUQERSA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001121504656 934677811 /nfs/dbraw/zinc/67/78/11/934677811.db2.gz IDSLDNQHBMINIY-RBUKOAKNSA-N 1 0 384.572 3.647 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001121602143 934712079 /nfs/dbraw/zinc/71/20/79/934712079.db2.gz WFXZDOLRGSWZMP-OAHLLOKOSA-N 1 0 398.477 3.724 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[NH+](C)C)cc1 ZINC000562146912 934727085 /nfs/dbraw/zinc/72/70/85/934727085.db2.gz OHCMSFQYCRZXAB-FQEVSTJZSA-N 1 0 384.455 3.909 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)OC(C)(C)C)c2C)CC1 ZINC000932001221 934797316 /nfs/dbraw/zinc/79/73/16/934797316.db2.gz AAJWUCSKSFTSEN-UHFFFAOYSA-N 1 0 386.496 3.561 20 30 GHEDRO Cc1ccc(C[C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 ZINC000562308815 934815944 /nfs/dbraw/zinc/81/59/44/934815944.db2.gz CBCKCBVORUSCJC-NRFANRHFSA-N 1 0 382.529 3.595 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCC[N@@H+]3C3CCOCC3)n2CC(=C)C)CC1 ZINC001122465938 934876751 /nfs/dbraw/zinc/87/67/51/934876751.db2.gz HTCVRDPWNRDJOG-HXUWFJFHSA-N 1 0 385.556 3.573 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001122504743 934885051 /nfs/dbraw/zinc/88/50/51/934885051.db2.gz JNJHSHFWBGQAKH-GOSISDBHSA-N 1 0 382.556 3.712 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1[C@]1(C)CCC=CO1 ZINC001122539482 934893784 /nfs/dbraw/zinc/89/37/84/934893784.db2.gz MXCCQPFUJQNCHN-QFIPXVFZSA-N 1 0 385.556 3.848 20 30 GHEDRO C=C(C)Cn1c(-c2cocn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001122560823 934900523 /nfs/dbraw/zinc/90/05/23/934900523.db2.gz LTTFJQFSTXVKQB-ROUUACIJSA-N 1 0 384.528 3.600 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001122575541 934905446 /nfs/dbraw/zinc/90/54/46/934905446.db2.gz LIHRCYWCVWCGTF-HOJAQTOUSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)[C@@H](O)c2ccccc2)nnc1N1CCC[N@H+](CC)CC1 ZINC001122594156 934912267 /nfs/dbraw/zinc/91/22/67/934912267.db2.gz DGHSBGZFEIKAIO-SFTDATJTSA-N 1 0 397.567 3.613 20 30 GHEDRO C=C(C)Cn1c(C[C@@H](C)SCC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001122596585 934913193 /nfs/dbraw/zinc/91/31/93/934913193.db2.gz VOKIQGUZVAZQRO-QGZVFWFLSA-N 1 0 379.618 3.849 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001122609002 934918502 /nfs/dbraw/zinc/91/85/02/934918502.db2.gz GXYIQTAVISERSQ-CEWLAPEOSA-N 1 0 396.583 3.962 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1c1ccccc1 ZINC001137639571 935655235 /nfs/dbraw/zinc/65/52/35/935655235.db2.gz CAFKSKKJUCMFGJ-MSOLQXFVSA-N 1 0 399.288 3.709 20 30 GHEDRO COc1ccc(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(C#N)c1 ZINC001137706067 935735549 /nfs/dbraw/zinc/73/55/49/935735549.db2.gz NHROOTCPYIIWOV-IVGWJTKZSA-N 1 0 377.532 3.962 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000830161830 935907930 /nfs/dbraw/zinc/90/79/30/935907930.db2.gz YSNFKEGLXKPHFW-KRWDZBQOSA-N 1 0 380.448 3.809 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)C1 ZINC001220725367 1032086629 /nfs/dbraw/zinc/08/66/29/1032086629.db2.gz QVAWQPIFTBZEAC-WHTRBLGASA-N 1 0 399.538 3.777 20 30 GHEDRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000374167113 1015057655 /nfs/dbraw/zinc/05/76/55/1015057655.db2.gz ZNMYGLPKPDQGOZ-LJQANCHMSA-N 1 0 385.508 3.507 20 30 GHEDRO C=C[C@](C)(CC)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000468026500 1015163364 /nfs/dbraw/zinc/16/33/64/1015163364.db2.gz OTCGBOVOKRGGHC-LJQANCHMSA-N 1 0 383.458 3.676 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3c(F)cccc3F)CC2)CC1 ZINC001226797880 1032134277 /nfs/dbraw/zinc/13/42/77/1032134277.db2.gz OEQHGNYLXMINBM-UHFFFAOYSA-N 1 0 391.506 3.969 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3OC)C2)C1=O ZINC001276816434 1032143293 /nfs/dbraw/zinc/14/32/93/1032143293.db2.gz BYWUKDPRZSQYML-LJQANCHMSA-N 1 0 397.302 3.529 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205587 1032330405 /nfs/dbraw/zinc/33/04/05/1032330405.db2.gz YWWIIBOIPHJCTJ-HXUWFJFHSA-N 1 0 390.499 3.662 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)c1 ZINC001221210273 1032332304 /nfs/dbraw/zinc/33/23/04/1032332304.db2.gz HFTDLDKNWBOUFJ-OAQYLSRUSA-N 1 0 381.451 3.567 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221407807 1032401688 /nfs/dbraw/zinc/40/16/88/1032401688.db2.gz FBADTHPUIDOIKA-HSZRJFAPSA-N 1 0 393.616 3.870 20 30 GHEDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)cc1Cl ZINC001277214313 1032441132 /nfs/dbraw/zinc/44/11/32/1032441132.db2.gz JTELQLYXWYOBRC-FQEVSTJZSA-N 1 0 375.900 3.615 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N(C)CCc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC001221581353 1032468970 /nfs/dbraw/zinc/46/89/70/1032468970.db2.gz WKOYZXIOTDSEFJ-HSZRJFAPSA-N 1 0 390.531 3.888 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OC)c(OCC)c3)C2)C1 ZINC001204185061 1032638199 /nfs/dbraw/zinc/63/81/99/1032638199.db2.gz UNIZKRMTVIDAJS-JOCHJYFZSA-N 1 0 388.508 3.704 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1F ZINC001227879226 1032664048 /nfs/dbraw/zinc/66/40/48/1032664048.db2.gz NUIFVQKXWJYLOY-HNNXBMFYSA-N 1 0 375.787 3.912 20 30 GHEDRO CC1(C)Cc2c(cccc2C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)O1 ZINC001155749777 1032679560 /nfs/dbraw/zinc/67/95/60/1032679560.db2.gz YGPWMYMEWUALBP-UHFFFAOYSA-N 1 0 389.499 3.688 20 30 GHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 ZINC000927007695 1017337732 /nfs/dbraw/zinc/33/77/32/1017337732.db2.gz FSZYEPNNDZTEPB-IRXDYDNUSA-N 1 0 380.529 3.654 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000559029275 1017341321 /nfs/dbraw/zinc/34/13/21/1017341321.db2.gz IDCPXLKULGZJLF-HXUWFJFHSA-N 1 0 395.551 3.540 20 30 GHEDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC000927164799 1017365152 /nfs/dbraw/zinc/36/51/52/1017365152.db2.gz MYIITAVFBZFQLI-MRXNPFEDSA-N 1 0 380.496 3.590 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2c(C)onc2-c2ccc(Cl)cc2Cl)CC1 ZINC000928653420 1017541620 /nfs/dbraw/zinc/54/16/20/1017541620.db2.gz LTOICDSYHUDHBW-UHFFFAOYSA-N 1 0 392.286 3.784 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1c(F)cccc1C#N ZINC000560589412 1017673744 /nfs/dbraw/zinc/67/37/44/1017673744.db2.gz YHNWBTAOTSPLMU-IRXDYDNUSA-N 1 0 379.479 3.513 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000561231761 1017812514 /nfs/dbraw/zinc/81/25/14/1017812514.db2.gz JCSZNGPTGWJSEV-JOCHJYFZSA-N 1 0 395.551 3.676 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)cc1 ZINC001204299547 1032738926 /nfs/dbraw/zinc/73/89/26/1032738926.db2.gz AJCWFGSWTZGQDT-ZTCOLXNVSA-N 1 0 396.531 3.956 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)cc1 ZINC001204299587 1032739337 /nfs/dbraw/zinc/73/93/37/1032739337.db2.gz CDMUKHZRSNJTNL-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)cc1 ZINC001204301426 1032744550 /nfs/dbraw/zinc/74/45/50/1032744550.db2.gz ZMILQXHWFCPZDE-FQEVSTJZSA-N 1 0 398.478 3.988 20 30 GHEDRO N#CCc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000932421410 1018286852 /nfs/dbraw/zinc/28/68/52/1018286852.db2.gz OIAWXBRUSSDXNC-SVFBPWRDSA-N 1 0 389.503 3.570 20 30 GHEDRO Cc1cc(C)n(CC[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000932945314 1018776363 /nfs/dbraw/zinc/77/63/63/1018776363.db2.gz VJUCFMCXLQNSIN-GHMZBOCLSA-N 1 0 391.306 3.603 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949673 1018780584 /nfs/dbraw/zinc/78/05/84/1018780584.db2.gz PUSLRBVRECNSCO-GMTAPVOTSA-N 1 0 380.323 3.574 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000778152274 1018814016 /nfs/dbraw/zinc/81/40/16/1018814016.db2.gz RXBSLWJEQHOAFY-GOSISDBHSA-N 1 0 390.936 3.577 20 30 GHEDRO N#Cc1ccccc1C[NH+]1CCC2(CC1)C(=O)Nc1cc(Br)ccc12 ZINC001204368781 1032811863 /nfs/dbraw/zinc/81/18/63/1032811863.db2.gz XXVJWVJCJCCVIC-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000567418346 1019290933 /nfs/dbraw/zinc/29/09/33/1019290933.db2.gz VBOOQLSVQUSUOS-HSZRJFAPSA-N 1 0 375.516 3.912 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC2(CCOCC2)O1 ZINC000567557315 1019312966 /nfs/dbraw/zinc/31/29/66/1019312966.db2.gz SVWSKWYNRGAGEW-IBGZPJMESA-N 1 0 392.499 3.907 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)cc1 ZINC000567684499 1019331641 /nfs/dbraw/zinc/33/16/41/1019331641.db2.gz KRSNTOFZXANWCO-KRWDZBQOSA-N 1 0 388.870 3.606 20 30 GHEDRO N#CCc1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000568387482 1019398451 /nfs/dbraw/zinc/39/84/51/1019398451.db2.gz FQBLZDMYJOLRGR-DEOSSOPVSA-N 1 0 388.515 3.560 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](c3ccccc3)C3(CO)CCC3)C2=O)cc1 ZINC000569984069 1019546299 /nfs/dbraw/zinc/54/62/99/1019546299.db2.gz SBKOOHUVWQDJDE-VXKWHMMOSA-N 1 0 389.499 3.547 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H](O)CC2)cc1OCC ZINC000570913430 1019652454 /nfs/dbraw/zinc/65/24/54/1019652454.db2.gz BMCAAMVECNBIKY-OAHLLOKOSA-N 1 0 384.314 3.759 20 30 GHEDRO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000574609106 1019891255 /nfs/dbraw/zinc/89/12/55/1019891255.db2.gz QPNQRYTXOLGOCX-UHFFFAOYSA-N 1 0 376.382 3.960 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576223682 1019990477 /nfs/dbraw/zinc/99/04/77/1019990477.db2.gz HEOZCWINKFOZTD-ZIFCJYIRSA-N 1 0 387.549 3.910 20 30 GHEDRO CN1CCO[C@H]([C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccc(Cl)cc2)C1 ZINC000577328050 1020170236 /nfs/dbraw/zinc/17/02/36/1020170236.db2.gz SDKAXPOQTUAMDU-BHIFYINESA-N 1 0 381.907 3.860 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1c(C)nn(-c3ccccc3)c1C)CC2 ZINC001204446990 1032889130 /nfs/dbraw/zinc/88/91/30/1032889130.db2.gz VFDODGHKFQKINI-UHFFFAOYSA-N 1 0 378.520 3.632 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189632581 1020478186 /nfs/dbraw/zinc/47/81/86/1020478186.db2.gz ZIQGEXXEBVCQJG-LPHOPBHVSA-N 1 0 376.422 3.532 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)n1ccc2cc(N3CC[NH2+]CC3)ccc21 ZINC001156215276 1032926033 /nfs/dbraw/zinc/92/60/33/1032926033.db2.gz HRROPSCWPAEUQD-UHFFFAOYSA-N 1 0 387.821 3.569 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3nc(Cl)cc(C)c3C#N)CC2)cc1 ZINC001156256527 1032945608 /nfs/dbraw/zinc/94/56/08/1032945608.db2.gz DAEZRQAVHKZTJP-UHFFFAOYSA-N 1 0 399.926 3.548 20 30 GHEDRO CCOc1cc(C#N)c(Br)cc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001228458347 1032944030 /nfs/dbraw/zinc/94/40/30/1032944030.db2.gz CFWAWVUKOCPFFM-IVWMJMPLSA-N 1 0 379.298 3.829 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c[nH]c4cccc(O)c34)CC2)C1 ZINC001140232202 1021203082 /nfs/dbraw/zinc/20/30/82/1021203082.db2.gz XDBUGNLTDNSIBY-UHFFFAOYSA-N 1 0 383.492 3.874 20 30 GHEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)c1 ZINC001140286826 1021319590 /nfs/dbraw/zinc/31/95/90/1021319590.db2.gz RJBHODMRRAMLIU-UHFFFAOYSA-N 1 0 375.516 3.899 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)s1)c1cccc(C#N)c1 ZINC000902777066 1021536105 /nfs/dbraw/zinc/53/61/05/1021536105.db2.gz ZZWYDZQGLBUZTK-SFHVURJKSA-N 1 0 391.562 3.891 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)cc1 ZINC000834888130 1021621437 /nfs/dbraw/zinc/62/14/37/1021621437.db2.gz DJOCFAIAQGZOLN-MRXNPFEDSA-N 1 0 381.476 3.713 20 30 GHEDRO CCCc1cc(C)nc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N ZINC001228599654 1032999836 /nfs/dbraw/zinc/99/98/36/1032999836.db2.gz MLPKBMGIYIGJOO-OAQYLSRUSA-N 1 0 379.504 3.884 20 30 GHEDRO CC(N=Nc1cccc(Br)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000835024498 1021779304 /nfs/dbraw/zinc/77/93/04/1021779304.db2.gz VGRCNYVEMMGJPM-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cc(C#N)ccc2Cl)CC3)cn1 ZINC001140599100 1022042328 /nfs/dbraw/zinc/04/23/28/1022042328.db2.gz PVDCKAJXZZAZET-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)CC[C@@H]2C1 ZINC001140600535 1022045094 /nfs/dbraw/zinc/04/50/94/1022045094.db2.gz NNRYNEJWMKHRJU-WBVHZDCISA-N 1 0 375.900 3.900 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)cc1 ZINC001228656029 1033031721 /nfs/dbraw/zinc/03/17/21/1033031721.db2.gz RQGMBCXXNDQGLI-UFYCRDLUSA-N 1 0 375.516 3.861 20 30 GHEDRO C=CC[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000680483707 1022176779 /nfs/dbraw/zinc/17/67/79/1022176779.db2.gz ADWLCJHNQUKKAR-SFHVURJKSA-N 1 0 393.487 3.583 20 30 GHEDRO C=CC[C@H](CO)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000680484442 1022178476 /nfs/dbraw/zinc/17/84/76/1022178476.db2.gz JHZNYJUKZWFECD-OAQYLSRUSA-N 1 0 377.488 3.634 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000680990623 1022248892 /nfs/dbraw/zinc/24/88/92/1022248892.db2.gz OGBHZIMPESUDIV-UHFFFAOYSA-N 1 0 394.515 3.917 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc3cc(C#N)ccc3[nH]2)CC1 ZINC001156456914 1033042145 /nfs/dbraw/zinc/04/21/45/1033042145.db2.gz LAVJMZFRRATHEO-UHFFFAOYSA-N 1 0 390.462 3.915 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(Cl)cccc3OC)C2)C1 ZINC001140725591 1022366203 /nfs/dbraw/zinc/36/62/03/1022366203.db2.gz DCSLCVGZYSTRRW-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO N#Cc1c(F)cc(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1F ZINC001140757637 1022448014 /nfs/dbraw/zinc/44/80/14/1022448014.db2.gz NLXNMXJTILMNCR-UHFFFAOYSA-N 1 0 395.453 3.994 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1Cl ZINC001140810439 1022597296 /nfs/dbraw/zinc/59/72/96/1022597296.db2.gz AGDASCDMWMXUEV-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cccc(C#N)c4Cl)CC[N@@H+]3C2)cc1 ZINC001140811108 1022599519 /nfs/dbraw/zinc/59/95/19/1022599519.db2.gz LDHKGJIXCAFQLR-TZIWHRDSSA-N 1 0 381.907 3.858 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000754748653 1022877818 /nfs/dbraw/zinc/87/78/18/1022877818.db2.gz QKLNDLFFUWNQCD-HOTGVXAUSA-N 1 0 390.524 3.864 20 30 GHEDRO Cc1ccc(Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)nc1 ZINC000754896209 1022954989 /nfs/dbraw/zinc/95/49/89/1022954989.db2.gz ARZCBWPCHACZJE-UHFFFAOYSA-N 1 0 381.480 3.882 20 30 GHEDRO C=C[C@@H]1O[C@@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228829273 1033125990 /nfs/dbraw/zinc/12/59/90/1033125990.db2.gz IZKRUEHVEXFYTR-MYGLTJDJSA-N 1 0 398.503 3.787 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075788 1023438207 /nfs/dbraw/zinc/43/82/07/1023438207.db2.gz AHOUXEQCQWSLKZ-VWNXMTODSA-N 1 0 382.548 3.712 20 30 GHEDRO CCN(Cc1sc(N)c(C#N)c1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141113223 1023529029 /nfs/dbraw/zinc/52/90/29/1023529029.db2.gz VSTQWTPUTSJIGV-NSHDSACASA-N 1 0 384.933 3.687 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2sc(N)c(C#N)c2Cl)C2CC2)C1 ZINC001141113150 1023529160 /nfs/dbraw/zinc/52/91/60/1023529160.db2.gz CICCEBBLYHUXLN-GFCCVEGCSA-N 1 0 396.944 3.829 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 ZINC001156672051 1033172394 /nfs/dbraw/zinc/17/23/94/1033172394.db2.gz DHUJKPPKPXLADF-UHFFFAOYSA-N 1 0 381.542 3.699 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001141152102 1023977613 /nfs/dbraw/zinc/97/76/13/1023977613.db2.gz BFDHAGAGASLQBB-IBGZPJMESA-N 1 0 378.419 3.541 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001141187671 1024049985 /nfs/dbraw/zinc/04/99/85/1024049985.db2.gz AOWBMNAEJGHNNL-GGAORHGYSA-N 1 0 379.504 3.717 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1C ZINC001138139993 1024212994 /nfs/dbraw/zinc/21/29/94/1024212994.db2.gz VOKUPXKGIANUDM-IBGZPJMESA-N 1 0 381.476 3.723 20 30 GHEDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)C[C@@H]2C1 ZINC001141294062 1024426599 /nfs/dbraw/zinc/42/65/99/1024426599.db2.gz UTKSTJSSAWZARX-NZQKXSOJSA-N 1 0 377.488 3.503 20 30 GHEDRO C#CCOc1ccc(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001138346795 1024708765 /nfs/dbraw/zinc/70/87/65/1024708765.db2.gz OLMIFKQXFBFUQG-UHFFFAOYSA-N 1 0 390.527 3.805 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](C[C@@H](O)c2ccccc2OC)C(C)C)cc1OC ZINC001138348385 1024709802 /nfs/dbraw/zinc/70/98/02/1024709802.db2.gz IXDCSUFEEVTZIR-HXUWFJFHSA-N 1 0 383.488 3.660 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001138556277 1025014804 /nfs/dbraw/zinc/01/48/04/1025014804.db2.gz NFDAXDHYHMYCOB-HSZRJFAPSA-N 1 0 384.520 3.922 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cc1 ZINC001138559342 1025021279 /nfs/dbraw/zinc/02/12/79/1025021279.db2.gz ROPIEXXOZICJBJ-QHCPKHFHSA-N 1 0 396.437 3.606 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)c1O ZINC001138626547 1025125115 /nfs/dbraw/zinc/12/51/15/1025125115.db2.gz JKPHTNSQUOETEN-XMMPIXPASA-N 1 0 378.516 3.992 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1O ZINC001138627211 1025126632 /nfs/dbraw/zinc/12/66/32/1025126632.db2.gz ZPFOQRAJILEHHT-XMMPIXPASA-N 1 0 394.490 3.884 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)c1O ZINC001138627235 1025127553 /nfs/dbraw/zinc/12/75/53/1025127553.db2.gz ABGZOFJKCVUDIA-QFIPXVFZSA-N 1 0 397.544 3.510 20 30 GHEDRO C=CCc1cccc(CN2CC[N@@H+]3C[C@@H](Oc4ccc(C)cc4)C[C@@H]3C2)c1O ZINC001138629029 1025130439 /nfs/dbraw/zinc/13/04/39/1025130439.db2.gz LMQZRMOCKACRBV-GGAORHGYSA-N 1 0 378.516 3.767 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001138631710 1025136176 /nfs/dbraw/zinc/13/61/76/1025136176.db2.gz ZJOHKUJQZMSTSX-OAHLLOKOSA-N 1 0 379.382 3.583 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC12CCOCC2 ZINC000832030995 1025152215 /nfs/dbraw/zinc/15/22/15/1025152215.db2.gz UGZIPXDQPJRAKA-HXUWFJFHSA-N 1 0 399.535 3.506 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001138660888 1025179840 /nfs/dbraw/zinc/17/98/40/1025179840.db2.gz GQYMANBAMHIBQF-HSZRJFAPSA-N 1 0 378.520 3.924 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001138664299 1025185509 /nfs/dbraw/zinc/18/55/09/1025185509.db2.gz MLYFWMLOGSARDR-HSZRJFAPSA-N 1 0 377.488 3.666 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001138664341 1025186696 /nfs/dbraw/zinc/18/66/96/1025186696.db2.gz NXVXHZKKNJTSIF-ISKFKSNPSA-N 1 0 394.515 3.702 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000838679373 1025286198 /nfs/dbraw/zinc/28/61/98/1025286198.db2.gz ZOECWBFUOWYGNK-UHFFFAOYSA-N 1 0 391.515 3.505 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000838958414 1025474665 /nfs/dbraw/zinc/47/46/65/1025474665.db2.gz LXQUEAOIDIMUDU-GHTZIAJQSA-N 1 0 379.504 3.882 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161988393 1025522692 /nfs/dbraw/zinc/52/26/92/1025522692.db2.gz JHTBHBXTAOERQM-UHFFFAOYSA-N 1 0 381.571 3.990 20 30 GHEDRO N#Cc1cnc(NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c(C#N)c1 ZINC001162032581 1025550985 /nfs/dbraw/zinc/55/09/85/1025550985.db2.gz OMBSYLXCWFZNGO-UHFFFAOYSA-N 1 0 385.393 3.920 20 30 GHEDRO COc1cc(C#N)nc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001162056100 1025572131 /nfs/dbraw/zinc/57/21/31/1025572131.db2.gz UGWKUDVVTYBEHL-UHFFFAOYSA-N 1 0 390.409 3.521 20 30 GHEDRO CS(=O)(=O)N(CC[NH3+])c1cccc(N=C(c2ccccc2)c2ccccc2)c1 ZINC001162131183 1025622641 /nfs/dbraw/zinc/62/26/41/1025622641.db2.gz QCKIPOYUFNMQAK-UHFFFAOYSA-N 1 0 393.512 3.580 20 30 GHEDRO COC(=O)c1cccc(CN(c2ccc(Cl)c(C#N)n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162190260 1025657889 /nfs/dbraw/zinc/65/78/89/1025657889.db2.gz QRIVWQORAHPWFZ-QAQDUYKDSA-N 1 0 398.894 3.670 20 30 GHEDRO N#Cc1nc(Cl)c(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)nc1C#N ZINC001162233894 1025684074 /nfs/dbraw/zinc/68/40/74/1025684074.db2.gz RRJREJIDTNTCIK-HNNXBMFYSA-N 1 0 384.846 3.555 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)C1 ZINC000839188762 1025708263 /nfs/dbraw/zinc/70/82/63/1025708263.db2.gz LYZSYQFNRKAYST-AZUAARDMSA-N 1 0 384.524 3.955 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001139031822 1025801208 /nfs/dbraw/zinc/80/12/08/1025801208.db2.gz COXZIPKPHCFZEI-UHFFFAOYSA-N 1 0 379.504 3.518 20 30 GHEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cccc([C@@H](C#N)C(=O)OC(C)(C)C)n2)c1 ZINC001162903685 1025960350 /nfs/dbraw/zinc/96/03/50/1025960350.db2.gz PZNYDOOKGVYQSJ-WMLDXEAASA-N 1 0 376.460 3.994 20 30 GHEDRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc(-c3ccccc3C#N)cc1)CC2 ZINC000839553413 1026050492 /nfs/dbraw/zinc/05/04/92/1026050492.db2.gz QEBVYJGCKGGXPE-UHFFFAOYSA-N 1 0 389.455 3.509 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(N2CCCCC2=O)cc1 ZINC000839607411 1026105481 /nfs/dbraw/zinc/10/54/81/1026105481.db2.gz XWKBYONRZPOCFA-KRWDZBQOSA-N 1 0 390.487 3.755 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc(N3CCC(O)CC3)s2)CC1 ZINC001139294294 1026147182 /nfs/dbraw/zinc/14/71/82/1026147182.db2.gz AGLHPFBMMADDEL-UHFFFAOYSA-N 1 0 399.535 3.906 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001141661001 1026155392 /nfs/dbraw/zinc/15/53/92/1026155392.db2.gz VTUICMLFHRMPRH-UHFFFAOYSA-N 1 0 384.321 3.681 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1nc2c(cc1C#N)CCC2)c1ccc(Cl)cc1 ZINC001163384292 1026169242 /nfs/dbraw/zinc/16/92/42/1026169242.db2.gz BTBHAENFABKIFT-HXUWFJFHSA-N 1 0 384.911 3.827 20 30 GHEDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nc3cc(F)ccc3c(Cl)c2C#N)cc1 ZINC001163467786 1026206493 /nfs/dbraw/zinc/20/64/93/1026206493.db2.gz XFFKHPDXEGADIE-MRXNPFEDSA-N 1 0 398.825 3.797 20 30 GHEDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2cc(C#N)c3cc(Cl)ccc3n2)cc1 ZINC001163468201 1026206579 /nfs/dbraw/zinc/20/65/79/1026206579.db2.gz ZAEXKVMLEFEAOV-KRWDZBQOSA-N 1 0 380.835 3.658 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001163473675 1026207133 /nfs/dbraw/zinc/20/71/33/1026207133.db2.gz UTZGDARSCCYKHN-UHFFFAOYSA-N 1 0 376.420 3.541 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(OC)c1 ZINC001139362164 1026237056 /nfs/dbraw/zinc/23/70/56/1026237056.db2.gz VMAPSJQDMIUXQR-HXUWFJFHSA-N 1 0 386.536 3.716 20 30 GHEDRO COc1ccc(N2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)cc1 ZINC001139400613 1026271430 /nfs/dbraw/zinc/27/14/30/1026271430.db2.gz ZNVATLCIDTZWNW-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139404275 1026275824 /nfs/dbraw/zinc/27/58/24/1026275824.db2.gz YJHPRLOUENEXPN-XZOQPEGZSA-N 1 0 377.488 3.638 20 30 GHEDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405567 1026276912 /nfs/dbraw/zinc/27/69/12/1026276912.db2.gz UXPLKZCFEMKCJB-ONTIZHBOSA-N 1 0 375.472 3.784 20 30 GHEDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)ncn1 ZINC001139406095 1026279567 /nfs/dbraw/zinc/27/95/67/1026279567.db2.gz MFINCUJHZYNODI-NRFANRHFSA-N 1 0 385.471 3.762 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(N3CCC[N@H+](Cc4ccncc4)CC3)nc21 ZINC001163828720 1026330025 /nfs/dbraw/zinc/33/00/25/1026330025.db2.gz OQXXTLHSPOTAHS-UHFFFAOYSA-N 1 0 375.520 3.674 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1F ZINC001139528892 1026388123 /nfs/dbraw/zinc/38/81/23/1026388123.db2.gz XEXJWXSWEIRJNH-QHCPKHFHSA-N 1 0 395.453 3.851 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)c1 ZINC001139647229 1026508115 /nfs/dbraw/zinc/50/81/15/1026508115.db2.gz FYVAYTPVRHEDAW-UHFFFAOYSA-N 1 0 392.478 3.611 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)c1 ZINC001139647602 1026508489 /nfs/dbraw/zinc/50/84/89/1026508489.db2.gz LHDWDEOUZYYIFN-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(N2CCN(Cc3cc(C#N)ccc3F)CC2)cc1 ZINC001139649767 1026510946 /nfs/dbraw/zinc/51/09/46/1026510946.db2.gz FLNWFQKFRFKSGS-UHFFFAOYSA-N 1 0 395.478 3.975 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC001139648958 1026511177 /nfs/dbraw/zinc/51/11/77/1026511177.db2.gz IIGTZOBZKZTCTC-XZOQPEGZSA-N 1 0 395.478 3.680 20 30 GHEDRO CCc1nnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(C#N)c1CC ZINC001164493916 1026532052 /nfs/dbraw/zinc/53/20/52/1026532052.db2.gz ZVTVMEOSGJQNEG-NQSCKRDGSA-N 1 0 375.520 3.796 20 30 GHEDRO C[NH+](C)CC[C@@H](c1ccc(NC(=NC#N)c2ccncc2)cc1)c1ccccn1 ZINC001164513772 1026539583 /nfs/dbraw/zinc/53/95/83/1026539583.db2.gz GLEBWKPPQDEHSD-NRFANRHFSA-N 1 0 384.487 3.709 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)CC[C@@H]21 ZINC001139704777 1026548631 /nfs/dbraw/zinc/54/86/31/1026548631.db2.gz XTFPEKKOQMBZBK-APWZRJJASA-N 1 0 380.492 3.871 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)cc1C#N ZINC001139725700 1026569766 /nfs/dbraw/zinc/56/97/66/1026569766.db2.gz YEMGSZOUCAORFH-DNQXCXABSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1C#N ZINC001139725719 1026569848 /nfs/dbraw/zinc/56/98/48/1026569848.db2.gz YUMOQERVQQDDDA-QFIPXVFZSA-N 1 0 377.488 3.602 20 30 GHEDRO C=CCn1cc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCC3(F)F)cn1 ZINC001139768650 1026604576 /nfs/dbraw/zinc/60/45/76/1026604576.db2.gz SGGDJRQRRRFDHZ-LJQANCHMSA-N 1 0 396.482 3.537 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)cn1 ZINC001139770631 1026605906 /nfs/dbraw/zinc/60/59/06/1026605906.db2.gz UUGFOALQQJKUQP-UHFFFAOYSA-N 1 0 392.547 3.834 20 30 GHEDRO Cn1c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc2ccccc21 ZINC001139869960 1026683465 /nfs/dbraw/zinc/68/34/65/1026683465.db2.gz BGRJZRNQLVNDDJ-DEOSSOPVSA-N 1 0 384.483 3.679 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)c1 ZINC001139876694 1026691930 /nfs/dbraw/zinc/69/19/30/1026691930.db2.gz JRSYOBUXLQOTTE-NRFANRHFSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c1 ZINC001139875050 1026691953 /nfs/dbraw/zinc/69/19/53/1026691953.db2.gz SFASDHNLNPCPRV-UHFFFAOYSA-N 1 0 377.463 3.855 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cc(F)cc(C#N)c1)CC2 ZINC001139877588 1026694383 /nfs/dbraw/zinc/69/43/83/1026694383.db2.gz PUUNMBNZRPHGOP-UHFFFAOYSA-N 1 0 382.483 3.933 20 30 GHEDRO N#Cc1c(Cl)ccnc1N(c1cccc(F)c1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001165479643 1026742047 /nfs/dbraw/zinc/74/20/47/1026742047.db2.gz MSBIFADHSYHRNW-OXJNMPFZSA-N 1 0 386.858 3.795 20 30 GHEDRO CC(C)(C)N(c1nc(Cl)c(Cl)cc1C#N)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670826 1026791550 /nfs/dbraw/zinc/79/15/50/1026791550.db2.gz WIGSRWHGMPLEHD-CYBMUJFWSA-N 1 0 383.323 3.776 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3-n3ccnc3C)C2)C1 ZINC001140023643 1026810661 /nfs/dbraw/zinc/81/06/61/1026810661.db2.gz TWHHDXOAHDFQMC-QHCPKHFHSA-N 1 0 394.519 3.791 20 30 GHEDRO COCC(C)(C)Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001165976354 1026884423 /nfs/dbraw/zinc/88/44/23/1026884423.db2.gz HDPXSVREGGBKCI-UHFFFAOYSA-N 1 0 378.520 3.976 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c2c1 ZINC001140114023 1026895726 /nfs/dbraw/zinc/89/57/26/1026895726.db2.gz HTOWRRWWIDRDPP-XMMPIXPASA-N 1 0 395.466 3.540 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(C[C@H](Oc5ccccn5)CO4)C3)c2c1 ZINC001140113987 1026896367 /nfs/dbraw/zinc/89/63/67/1026896367.db2.gz NUXSPIGJNWVHMS-WMZHIEFXSA-N 1 0 388.471 3.637 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC#C[Si](C)(C)C)C1 ZINC001166056860 1026906755 /nfs/dbraw/zinc/90/67/55/1026906755.db2.gz HJSTVBPEYLOYLL-UHFFFAOYSA-N 1 0 395.623 3.795 20 30 GHEDRO COc1cc(N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)ncc1C#N ZINC001166128126 1026924653 /nfs/dbraw/zinc/92/46/53/1026924653.db2.gz VTSYWMJVQFBDTM-UHFFFAOYSA-N 1 0 397.482 3.797 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1[nH]nc3ccc(Cl)cc31)C2 ZINC001209753144 1027145036 /nfs/dbraw/zinc/14/50/36/1027145036.db2.gz LSFSAQMRTOFLFB-VQTJNVASSA-N 1 0 375.900 3.790 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[N@@H+](C)C[C@H]2CC)c1=S ZINC000840093396 1027181759 /nfs/dbraw/zinc/18/17/59/1027181759.db2.gz KKQGCLNXWHGVCO-QGZVFWFLSA-N 1 0 391.972 3.904 20 30 GHEDRO N#Cc1cc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)nc2ccc(Cl)cc12 ZINC001166993140 1027184465 /nfs/dbraw/zinc/18/44/65/1027184465.db2.gz GSRVDALSTWBUFY-UHFFFAOYSA-N 1 0 388.862 3.508 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)[C@H](O)C(F)(F)F ZINC001203352374 1027287863 /nfs/dbraw/zinc/28/78/63/1027287863.db2.gz UUMKOWOWWOLSFP-BKDNQFJXSA-N 1 0 399.253 3.960 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)C1=O ZINC001276416613 1027549539 /nfs/dbraw/zinc/54/95/39/1027549539.db2.gz IJQMBWASANFMSF-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO COc1ccc(Nc2ccc(C)cc2C#N)cc1OCCCN1CC[NH+](C)CC1 ZINC001210568642 1027560601 /nfs/dbraw/zinc/56/06/01/1027560601.db2.gz NSTPTMXHBTXHME-UHFFFAOYSA-N 1 0 394.519 3.635 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1 ZINC001203757628 1027580242 /nfs/dbraw/zinc/58/02/42/1027580242.db2.gz MZKNRTYLXNZNLN-UHFFFAOYSA-N 1 0 379.479 3.564 20 30 GHEDRO COC[C@@H]1CC2(CN1Cc1nccs1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757253 1027580295 /nfs/dbraw/zinc/58/02/95/1027580295.db2.gz IRBUOSIDNRLDDX-FQEVSTJZSA-N 1 0 396.560 3.518 20 30 GHEDRO COCCC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203762452 1027583282 /nfs/dbraw/zinc/58/32/82/1027583282.db2.gz IYFUTDMZFBZPGI-HXUWFJFHSA-N 1 0 387.524 3.796 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC001203762408 1027584052 /nfs/dbraw/zinc/58/40/52/1027584052.db2.gz QTGYBUHTSQXNAS-DEOSSOPVSA-N 1 0 382.467 3.689 20 30 GHEDRO CC(C)OCCN(CCOC(C)C)Cc1cc(Br)ccc1C#N ZINC001141902761 1027627356 /nfs/dbraw/zinc/62/73/56/1027627356.db2.gz CKBQENNYDHBOLB-UHFFFAOYSA-N 1 0 383.330 3.973 20 30 GHEDRO C[C@@H]1CC(=O)C=C(Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)C1 ZINC001210775976 1027648507 /nfs/dbraw/zinc/64/85/07/1027648507.db2.gz QTDVOFRBKVTOBG-AWEZNQCLSA-N 1 0 381.442 3.748 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)cc1 ZINC001203901012 1027695066 /nfs/dbraw/zinc/69/50/66/1027695066.db2.gz CMBGLWJLNNMBLZ-OAQYLSRUSA-N 1 0 377.488 3.651 20 30 GHEDRO CSc1nc(C[N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141941727 1027717083 /nfs/dbraw/zinc/71/70/83/1027717083.db2.gz VHKXBHSZHVEBOZ-OAHLLOKOSA-N 1 0 390.553 3.754 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC2(CN3CCOCC3)CCCCC2)cc1OC ZINC001461288539 1069482353 /nfs/dbraw/zinc/48/23/53/1069482353.db2.gz XJZYKVHCKXMERH-UHFFFAOYSA-N 1 0 388.552 3.632 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccnc5ccccc45)C3)CC2=O)c1 ZINC001204087495 1027865121 /nfs/dbraw/zinc/86/51/21/1027865121.db2.gz PFXCKKNFWUIHPI-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO CCCCCCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000840874022 1027912420 /nfs/dbraw/zinc/91/24/20/1027912420.db2.gz WENVOLYCNAUOSP-UHFFFAOYSA-N 1 0 377.348 3.547 20 30 GHEDRO Cc1c(Cl)cccc1-c1noc([C@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)n1 ZINC001211377156 1027930233 /nfs/dbraw/zinc/93/02/33/1027930233.db2.gz GERFERJQQFLMAH-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 ZINC001214524272 1028776630 /nfs/dbraw/zinc/77/66/30/1028776630.db2.gz VYFLZNGTXBLBKY-UHFFFAOYSA-N 1 0 388.924 3.606 20 30 GHEDRO N#Cc1cnn(C2CCOCC2)c1Nc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001215711241 1029360399 /nfs/dbraw/zinc/36/03/99/1029360399.db2.gz JBQQHNNHVSOIFP-UHFFFAOYSA-N 1 0 383.471 3.975 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC001216023608 1029498725 /nfs/dbraw/zinc/49/87/25/1029498725.db2.gz SXAAOIHRFJZRBK-KRWDZBQOSA-N 1 0 392.503 3.914 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(N2CCNC2=O)cc1 ZINC000842743100 1029552462 /nfs/dbraw/zinc/55/24/62/1029552462.db2.gz BXRCWHNLDBAELO-QGZVFWFLSA-N 1 0 378.476 3.750 20 30 GHEDRO C=CCN1c2ccc(Nc3cccc(C[NH2+]C)c3F)cc2C2(CCOCC2)C1=O ZINC001216222538 1029573880 /nfs/dbraw/zinc/57/38/80/1029573880.db2.gz JDKAIBJOPYUBDL-UHFFFAOYSA-N 1 0 395.478 3.870 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c[nH]c3cc(C#N)ccc13)[C@H]2C ZINC001142916369 1029688581 /nfs/dbraw/zinc/68/85/81/1029688581.db2.gz CYWROZYXRRTDBM-INIZCTEOSA-N 1 0 376.508 3.653 20 30 GHEDRO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1cccc(C(C)(C)C)c1O ZINC001143104878 1029842467 /nfs/dbraw/zinc/84/24/67/1029842467.db2.gz GGDBMAXGDHRBPI-IBGZPJMESA-N 1 0 384.524 3.603 20 30 GHEDRO CCN(CC)c1ccc(C=[NH+][C@H](C)c2ccc(N3CCNC3=O)cc2)c(O)c1 ZINC000843265635 1029874991 /nfs/dbraw/zinc/87/49/91/1029874991.db2.gz HNFBIUCQRHUALJ-DTVDJLOLSA-N 1 0 380.492 3.948 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)C1=O ZINC001143169756 1029880331 /nfs/dbraw/zinc/88/03/31/1029880331.db2.gz QBFAAYSUYQXEGP-IBGZPJMESA-N 1 0 395.453 3.674 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1scc3c1OCCO3)CC2 ZINC001143179067 1029885362 /nfs/dbraw/zinc/88/53/62/1029885362.db2.gz SHLPIMANGCFXKT-UHFFFAOYSA-N 1 0 392.521 3.520 20 30 GHEDRO CCc1cccc(-c2noc(-c3cccc(NC(=O)[C@@H]4C[C@H](S)C[NH2+]4)c3)n2)c1 ZINC001216717974 1029903997 /nfs/dbraw/zinc/90/39/97/1029903997.db2.gz HYBCRCAJUIFJMO-ROUUACIJSA-N 1 0 394.500 3.565 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]CCCCCCOc3ccc(Cl)cc3)cnc12 ZINC000843404315 1029976399 /nfs/dbraw/zinc/97/63/99/1029976399.db2.gz RNYIRIAPSZKFMT-UHFFFAOYSA-N 1 0 383.883 3.983 20 30 GHEDRO COc1ccc(F)c(C(F)(F)F)c1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC001143298152 1030002784 /nfs/dbraw/zinc/00/27/84/1030002784.db2.gz FEVHOYLTIVFXLK-ZDUSSCGKSA-N 1 0 375.284 3.600 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(-c3ccc4c(c3)C3(CC4=O)CC[NH2+]CC3)n2)c1 ZINC001217210219 1030238543 /nfs/dbraw/zinc/23/85/43/1030238543.db2.gz WEEBSLFTZBKZLX-UHFFFAOYSA-N 1 0 388.402 3.622 20 30 GHEDRO CC(C)COc1ccc(-c2nnc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)o2)cc1 ZINC001217710925 1030619853 /nfs/dbraw/zinc/61/98/53/1030619853.db2.gz DLKXACPCWSOCFW-IBGZPJMESA-N 1 0 376.460 3.756 20 30 GHEDRO CC(C)(C)OC(=O)c1ccccc1-c1ccc(CO[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC001217829819 1030658039 /nfs/dbraw/zinc/65/80/39/1030658039.db2.gz APAAWYXDOVBHGK-RXVVDRJESA-N 1 0 378.472 3.937 20 30 GHEDRO COc1cc(O)cc(O[C@H]2C[NH2+]CCC[C@@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001217979083 1030701516 /nfs/dbraw/zinc/70/15/16/1030701516.db2.gz DYYIQDMPTWABLC-OBEBJHFJSA-N 1 0 385.435 3.766 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217982654 1030704930 /nfs/dbraw/zinc/70/49/30/1030704930.db2.gz HVTUDOINQWJCTA-PMACEKPBSA-N 1 0 393.462 3.583 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CCC[NH2+]C[C@H]3C)c(C#N)c2)nc1C ZINC001217986235 1030707139 /nfs/dbraw/zinc/70/71/39/1030707139.db2.gz FKACDESHMYVBIU-CXAGYDPISA-N 1 0 399.516 3.934 20 30 GHEDRO C=CCc1c(O[C@@H]2CCC[NH2+]C[C@@H]2C)c2cccnc2n(-c2ccccc2)c1=O ZINC001217992313 1030709456 /nfs/dbraw/zinc/70/94/56/1030709456.db2.gz AHMXSDXKDGBSGI-LAUBAEHRSA-N 1 0 389.499 3.881 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218020587 1030727062 /nfs/dbraw/zinc/72/70/62/1030727062.db2.gz BYQLRGLHQYDZSW-WOJBJXKFSA-N 1 0 393.462 3.583 20 30 GHEDRO O=C(/C=C/c1ccc(O[C@@H]2C[NH2+]CCOC2)cc1)CCCCc1ccc(O)cc1 ZINC001218047496 1030741138 /nfs/dbraw/zinc/74/11/38/1030741138.db2.gz RASBUDPBJKGDRR-VFUOJUBFSA-N 1 0 395.499 3.755 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001223764953 1030742829 /nfs/dbraw/zinc/74/28/29/1030742829.db2.gz CSBUAHWLZLDIIN-IBGZPJMESA-N 1 0 384.863 3.789 20 30 GHEDRO C[C@@H]1C[C@H](Oc2c(Br)cc(Br)cc2C=NO)CC[NH2+]1 ZINC001218054467 1030744857 /nfs/dbraw/zinc/74/48/57/1030744857.db2.gz ZSQOTDIZKMVFAF-LDYMZIIASA-N 1 0 392.091 3.539 20 30 GHEDRO COc1ccc(-c2ccc(C[NH2+][C@H]3Cc4ccc(C#N)cc4C3)o2)c([N+](=O)[O-])c1 ZINC001461701721 1069688661 /nfs/dbraw/zinc/68/86/61/1069688661.db2.gz ACYILMLAHKBNAH-KRWDZBQOSA-N 1 0 389.411 3.992 20 30 GHEDRO Cc1cc(O[C@H]2CC[NH2+]C[C@@H]2F)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218065448 1030753202 /nfs/dbraw/zinc/75/32/02/1030753202.db2.gz WUOBURRIXMKJBC-XQVQROFZSA-N 1 0 385.435 3.690 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218088646 1030764663 /nfs/dbraw/zinc/76/46/63/1030764663.db2.gz BLMVORFQWQOJNI-GCTWZQTOSA-N 1 0 393.439 3.625 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218115485 1030779499 /nfs/dbraw/zinc/77/94/99/1030779499.db2.gz GXCDRUCEYXWINF-YTYRTEIYSA-N 1 0 379.456 3.818 20 30 GHEDRO COc1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218115486 1030779815 /nfs/dbraw/zinc/77/98/15/1030779815.db2.gz GXCDRUCEYXWINF-ZNDOKURHSA-N 1 0 379.456 3.818 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@H]1CC[NH2+][C@H]2CCO[C@@H]21 ZINC001218160090 1030801059 /nfs/dbraw/zinc/80/10/59/1030801059.db2.gz CSXQTGJPUWSYCZ-VCOUNFBDSA-N 1 0 384.520 3.939 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)c2ccc(Br)cc2n1 ZINC001218202562 1030827634 /nfs/dbraw/zinc/82/76/34/1030827634.db2.gz MPTZNJWAWCFCGA-OQPBUACISA-N 1 0 386.171 3.506 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(C(F)(F)F)c(Br)cc1C(=O)OC ZINC001218207351 1030828811 /nfs/dbraw/zinc/82/88/11/1030828811.db2.gz PSULLYKXMOZXSH-CYBMUJFWSA-N 1 0 394.187 3.551 20 30 GHEDRO COc1ccccc1-n1nc(O[C@@H]2C[NH2+]C[C@@H]2C#N)cc1-c1ccc(Cl)cc1 ZINC001218205757 1030829155 /nfs/dbraw/zinc/82/91/55/1030829155.db2.gz YVLZWZKMBREYSH-MGPUTAFESA-N 1 0 394.862 3.692 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CCC23C[NH2+]C3)c1 ZINC001218245230 1030848268 /nfs/dbraw/zinc/84/82/68/1030848268.db2.gz XZQWWDWEKLSJDS-MHNQQFQPSA-N 1 0 379.456 3.731 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)c(C#N)c2)nc1C ZINC001218252841 1030854836 /nfs/dbraw/zinc/85/48/36/1030854836.db2.gz VEHQJALFLNNZPO-XKQJLSEDSA-N 1 0 397.500 3.686 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(O[C@@H]3CC[NH2+]C4(CCC4)C3)cccc1C2=O ZINC001218309217 1030884592 /nfs/dbraw/zinc/88/45/92/1030884592.db2.gz MAQBUNGGYMYAAN-CQSZACIVSA-N 1 0 381.472 3.962 20 30 GHEDRO Cc1cc(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218324900 1030894031 /nfs/dbraw/zinc/89/40/31/1030894031.db2.gz KNMCVISLYVBOSY-QDUDHFMZSA-N 1 0 379.456 3.597 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001224167944 1030908784 /nfs/dbraw/zinc/90/87/84/1030908784.db2.gz DBKJIZMMJVJQKL-AJSBUHFISA-N 1 0 390.483 3.772 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001224170808 1030910672 /nfs/dbraw/zinc/91/06/72/1030910672.db2.gz QNEFNBZBHVHDPM-SFHVURJKSA-N 1 0 384.863 3.789 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218406437 1030923900 /nfs/dbraw/zinc/92/39/00/1030923900.db2.gz JCQUNQHIVCJJBF-YYEYQNEESA-N 1 0 383.444 3.522 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2CC[NH2+]C[C@@H]2C)c(O)c1 ZINC001218419447 1030931861 /nfs/dbraw/zinc/93/18/61/1030931861.db2.gz MZXZKZJRZCNHKK-HNAYVOBHSA-N 1 0 379.497 3.992 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)c2)cc1OC ZINC001218460584 1030946447 /nfs/dbraw/zinc/94/64/47/1030946447.db2.gz MYYSCNCIONULOB-UNKGLAANSA-N 1 0 393.483 3.977 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCCOc2cccc(C#N)c2)O1 ZINC001224312744 1030964448 /nfs/dbraw/zinc/96/44/48/1030964448.db2.gz UYDWLFMFEFXCJE-JOCHJYFZSA-N 1 0 380.488 3.633 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)Nc2ccc(C(C)(C)C#N)nc2)cc1 ZINC001218581887 1030993703 /nfs/dbraw/zinc/99/37/03/1030993703.db2.gz PLMVEODFVOPRIF-KRWDZBQOSA-N 1 0 394.519 3.959 20 30 GHEDRO COC(=O)c1scc(C#N)c1NC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC001218605098 1031001884 /nfs/dbraw/zinc/00/18/84/1031001884.db2.gz MRVKBIOQOCONJJ-GFCCVEGCSA-N 1 0 398.271 3.742 20 30 GHEDRO O=C(Nc1cccc(OC(F)(F)C(F)F)c1)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001218815882 1031093023 /nfs/dbraw/zinc/09/30/23/1031093023.db2.gz GBNBNXDBHOQAFE-MNOVXSKESA-N 1 0 388.283 3.792 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCN2C(=O)C(F)(F)F ZINC001218829615 1031100656 /nfs/dbraw/zinc/10/06/56/1031100656.db2.gz DQQKEQRBTMRPBY-HNNXBMFYSA-N 1 0 383.414 3.540 20 30 GHEDRO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc4c[nH+]cn4c3)c(C#N)c21 ZINC001152187538 1031139356 /nfs/dbraw/zinc/13/93/56/1031139356.db2.gz PHYHQBJTHIXAMX-CQSZACIVSA-N 1 0 394.456 3.503 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(Br)cc(OC)c2)C1=O ZINC001277017938 1031246921 /nfs/dbraw/zinc/24/69/21/1031246921.db2.gz JGKXZDIEZYQRKA-IBGZPJMESA-N 1 0 393.325 3.601 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Br)cc(OC)c1 ZINC001277018214 1031251351 /nfs/dbraw/zinc/25/13/51/1031251351.db2.gz LTJATYWONSRCOX-IBGZPJMESA-N 1 0 393.325 3.601 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)C[C@@H]([NH3+])Cc1csc2ccccc12 ZINC001219107621 1031256674 /nfs/dbraw/zinc/25/66/74/1031256674.db2.gz NUWLLMLDGMNFNE-AWEZNQCLSA-N 1 0 383.448 3.819 20 30 GHEDRO C[C@@H](CS)O[C@H]1C[N@H+](Cc2ccccc2)C2(C1)CCC1(CC2)OCCO1 ZINC001225172903 1031296642 /nfs/dbraw/zinc/29/66/42/1031296642.db2.gz BENGUTKHQWLRCX-PKOBYXMFSA-N 1 0 377.550 3.652 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)c1 ZINC001219310570 1031351482 /nfs/dbraw/zinc/35/14/82/1031351482.db2.gz JDEUMOAPDDZSFX-OAQYLSRUSA-N 1 0 387.559 3.972 20 30 GHEDRO COc1cc(O[C@@H]2CCN(Cc3ccccc3C#N)C2)ccc1Br ZINC001225425882 1031402934 /nfs/dbraw/zinc/40/29/34/1031402934.db2.gz CVONECTYNBFQMB-QGZVFWFLSA-N 1 0 387.277 3.983 20 30 GHEDRO N#Cc1ccc(Br)cc1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001225786954 1031604588 /nfs/dbraw/zinc/60/45/88/1031604588.db2.gz WOVQGXXTQPYPON-GOSISDBHSA-N 1 0 387.277 3.601 20 30 GHEDRO CC(C)(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)cc1 ZINC001219982300 1031728946 /nfs/dbraw/zinc/72/89/46/1031728946.db2.gz BMOIKORDFDDMOJ-GCJKJVERSA-N 1 0 375.516 3.693 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001226308627 1031910277 /nfs/dbraw/zinc/91/02/77/1031910277.db2.gz XKVZAARIEBCHMU-SYYKKAFVSA-N 1 0 376.456 3.634 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3OC)CC2)C1=O ZINC001276815063 1032039613 /nfs/dbraw/zinc/03/96/13/1032039613.db2.gz MRVOYSFPSOUPTH-FQEVSTJZSA-N 1 0 395.330 3.840 20 30 GHEDRO CC(C)[NH+]1CCC(Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001229207407 1033342432 /nfs/dbraw/zinc/34/24/32/1033342432.db2.gz GFPWZLBWIDJMHP-UUYOSTAYSA-N 1 0 395.455 3.966 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1 ZINC001229292465 1033395826 /nfs/dbraw/zinc/39/58/26/1033395826.db2.gz UIOQWSBBKNHTGA-NRFANRHFSA-N 1 0 377.532 3.785 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC001229292878 1033396775 /nfs/dbraw/zinc/39/67/75/1033396775.db2.gz YHEQAMFPXMNHDS-GOSISDBHSA-N 1 0 375.925 3.745 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)c1ccc2c(C#N)c[nH]c2c1)c1ccc(Cl)cc1 ZINC001157128201 1033427832 /nfs/dbraw/zinc/42/78/32/1033427832.db2.gz RNPXWMABQOADDQ-QGZVFWFLSA-N 1 0 380.879 3.768 20 30 GHEDRO C[N@@H+]1CCC[C@@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)C1 ZINC001229383709 1033452468 /nfs/dbraw/zinc/45/24/68/1033452468.db2.gz QFFXENVDJQYWOW-FSLLGGKJSA-N 1 0 379.504 3.793 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1c(C)cncc1Br)CC2 ZINC001277392823 1033519008 /nfs/dbraw/zinc/51/90/08/1033519008.db2.gz NYPFEEXLGQGRFB-UHFFFAOYSA-N 1 0 392.341 3.543 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CCC[N@H+](C)C3)c(C#N)c2)nc1C ZINC001229534575 1033545882 /nfs/dbraw/zinc/54/58/82/1033545882.db2.gz WFIAAESVHUCIRS-INIZCTEOSA-N 1 0 385.489 3.640 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H](C)C[N+](C)(C)C)cc2)cc1 ZINC001229613417 1033589889 /nfs/dbraw/zinc/58/98/89/1033589889.db2.gz CXBHAPYJLWSECA-QGZVFWFLSA-N 1 0 390.525 3.558 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCCC[C@@]23CCC[NH2+]C3)cc1F ZINC001157471931 1033608727 /nfs/dbraw/zinc/60/87/27/1033608727.db2.gz PUAVEHNYPLCVAB-FQEVSTJZSA-N 1 0 385.874 3.920 20 30 GHEDRO COc1cc(OC)c(C[C@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)c(OC)c1 ZINC001205882869 1033618490 /nfs/dbraw/zinc/61/84/90/1033618490.db2.gz ODPCZDDCNPCVPP-CFHWWMOJSA-N 1 0 380.488 3.857 20 30 GHEDRO N#Cc1c2c(cnc1N(CCCCCCO)Cc1ccccc1)C[NH2+]CCC2 ZINC001157586697 1033673461 /nfs/dbraw/zinc/67/34/61/1033673461.db2.gz DKEZTGTXHZQIMG-UHFFFAOYSA-N 1 0 378.520 3.548 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(C(C)=O)cc2Br)no1 ZINC001206100556 1033720352 /nfs/dbraw/zinc/72/03/52/1033720352.db2.gz REYTXARNJPVUNW-UHFFFAOYSA-N 1 0 376.254 3.811 20 30 GHEDRO Cc1c(C(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)cnn1CCC#N ZINC001461870141 1069813674 /nfs/dbraw/zinc/81/36/74/1069813674.db2.gz NQCNFJJBFZDAHW-UHFFFAOYSA-N 1 0 393.535 3.620 20 30 GHEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc(CN4CCOCC4)cc3)CC2)c1 ZINC001206716941 1033956827 /nfs/dbraw/zinc/95/68/27/1033956827.db2.gz LWTCEZIUVWYDAD-UHFFFAOYSA-N 1 0 375.516 3.770 20 30 GHEDRO CC[N@@H+]1CC[C@H](Oc2nnc(Cc3ccc(F)c(C#N)c3)c3ccccc32)C1 ZINC001230260936 1033968805 /nfs/dbraw/zinc/96/88/05/1033968805.db2.gz VJWIVLPVLMJJKJ-KRWDZBQOSA-N 1 0 376.435 3.704 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3c(F)ccc(C)c3Br)C2)C1=O ZINC001277455958 1034063521 /nfs/dbraw/zinc/06/35/21/1034063521.db2.gz OFOZTWSQXJTHQH-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC001230499209 1034092159 /nfs/dbraw/zinc/09/21/59/1034092159.db2.gz SKVBZMIFLDOUQQ-MRXNPFEDSA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCN(CC[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1)C(=O)OC(C)(C)C ZINC001207201275 1034171253 /nfs/dbraw/zinc/17/12/53/1034171253.db2.gz REUXFLZSZLNDPB-UHFFFAOYSA-N 1 0 398.507 3.560 20 30 GHEDRO Cc1nc(C#Cc2ccnc(-n3ccc(C[NH3+])c3)c2)c(C)n1-c1ccc(F)cc1 ZINC001158767503 1034265353 /nfs/dbraw/zinc/26/53/53/1034265353.db2.gz ZWROBPGORFWOHW-UHFFFAOYSA-N 1 0 385.446 3.672 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001207377362 1034320600 /nfs/dbraw/zinc/32/06/00/1034320600.db2.gz IJVZFZKWHUMSKQ-AZUAARDMSA-N 1 0 385.508 3.801 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCc3ccccc3F)C[C@@H]2c2ccccc2)C1=O ZINC001207498693 1034404022 /nfs/dbraw/zinc/40/40/22/1034404022.db2.gz NZIAEXUGCHNXQU-QPPBQGQZSA-N 1 0 378.491 3.872 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001231263684 1034491205 /nfs/dbraw/zinc/49/12/05/1034491205.db2.gz SBDMGGDVXZDDFL-KSEOMHKRSA-N 1 0 380.536 3.875 20 30 GHEDRO N#Cc1cnn(-c2ccccc2Br)c1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159311879 1034539076 /nfs/dbraw/zinc/53/90/76/1034539076.db2.gz RNUJSRUGTLKLAE-UHFFFAOYSA-N 1 0 380.249 3.853 20 30 GHEDRO C=CCCCCCCCCCN1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001207898785 1034643064 /nfs/dbraw/zinc/64/30/64/1034643064.db2.gz FEPSYBMWTQROHS-UHFFFAOYSA-N 1 0 390.572 3.631 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OCCCOC)cc1)C2 ZINC001231505840 1034650333 /nfs/dbraw/zinc/65/03/33/1034650333.db2.gz RAMCMIOMHQNLRY-PKTZIBPZSA-N 1 0 389.536 3.676 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159651594 1034702275 /nfs/dbraw/zinc/70/22/75/1034702275.db2.gz FREWGVXLLRZBMQ-SFHVURJKSA-N 1 0 391.906 3.696 20 30 GHEDRO COC(=O)c1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc(C(F)(F)F)c1 ZINC001159660876 1034708276 /nfs/dbraw/zinc/70/82/76/1034708276.db2.gz ZNPBKNLVTJRWIO-UHFFFAOYSA-N 1 0 375.350 3.794 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1)N1CCCC1 ZINC001231578722 1034729735 /nfs/dbraw/zinc/72/97/35/1034729735.db2.gz RWZYNXATRWVPJX-UHFFFAOYSA-N 1 0 387.527 3.856 20 30 GHEDRO N#Cc1ccc(I)c(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001159756568 1034734010 /nfs/dbraw/zinc/73/40/10/1034734010.db2.gz BYQSDOPHQIMFLX-UHFFFAOYSA-N 1 0 375.213 3.552 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(C)c(Br)cc3F)C2)C1=O ZINC001276557534 1034749154 /nfs/dbraw/zinc/74/91/54/1034749154.db2.gz CDGPFKVTNLBSIM-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3F)C2)C1=O ZINC001276558990 1034754913 /nfs/dbraw/zinc/75/49/13/1034754913.db2.gz ZGZBBDRZVDSNLD-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)c(Cl)cc3C)C2)C1=O ZINC001276560223 1034766565 /nfs/dbraw/zinc/76/65/65/1034766565.db2.gz YRKOLKKKCVRWEN-IBGZPJMESA-N 1 0 381.303 3.829 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](NC(=O)c3ccncc3)[C@H]3OCCC[C@H]3C2)CC1 ZINC001208175229 1034774054 /nfs/dbraw/zinc/77/40/54/1034774054.db2.gz PONHIUUODVAYIP-PNJWGLBASA-N 1 0 395.547 3.593 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)Cc4ccccn4)C[C@H]32)CC1 ZINC001208177390 1034777062 /nfs/dbraw/zinc/77/70/62/1034777062.db2.gz RGYYLAHYTAKJFO-ADHNFCLRSA-N 1 0 395.547 3.574 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N2CCCC2)CCO3)CC1 ZINC001208177746 1034778040 /nfs/dbraw/zinc/77/80/40/1034778040.db2.gz YQVUZOMPBHISFL-MQSCRBSSSA-N 1 0 387.568 3.718 20 30 GHEDRO CCc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)nc1 ZINC001231641765 1034800353 /nfs/dbraw/zinc/80/03/53/1034800353.db2.gz QGQRMSWCFQNKLE-XMMPIXPASA-N 1 0 390.531 3.635 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC3(c4ccccc4)CCOCC3)C2)C1 ZINC001208215549 1034805875 /nfs/dbraw/zinc/80/58/75/1034805875.db2.gz DCMCCGJMLUCGRW-HSZRJFAPSA-N 1 0 398.547 3.845 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)c1 ZINC001231656563 1034812692 /nfs/dbraw/zinc/81/26/92/1034812692.db2.gz ATXMECPMWNXOEC-JOCHJYFZSA-N 1 0 376.500 3.761 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001231656717 1034812966 /nfs/dbraw/zinc/81/29/66/1034812966.db2.gz FHZBBZPPSYZOSE-XMMPIXPASA-N 1 0 376.475 3.822 20 30 GHEDRO COC(=O)c1cc2c(NC(=[NH2+])c3ccc4cc(O)ccc4c3)[nH]c(Cl)cc-2n1 ZINC001160026961 1034835253 /nfs/dbraw/zinc/83/52/53/1034835253.db2.gz UQHTXFQDPSOMGP-UHFFFAOYSA-N 1 0 394.818 3.899 20 30 GHEDRO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1C#N ZINC001208405953 1034885724 /nfs/dbraw/zinc/88/57/24/1034885724.db2.gz PNKOECSZRQBYLZ-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO COc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208406069 1034886397 /nfs/dbraw/zinc/88/63/97/1034886397.db2.gz UODKJLRBJJVBCU-GOSISDBHSA-N 1 0 378.476 3.553 20 30 GHEDRO N#Cc1cc(I)c(Nc2ccc3c(c2)CC[NH2+]C3)cc1F ZINC001160206903 1034901505 /nfs/dbraw/zinc/90/15/05/1034901505.db2.gz UJTHVBPNZVHGHH-UHFFFAOYSA-N 1 0 393.203 3.691 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231816031 1034925528 /nfs/dbraw/zinc/92/55/28/1034925528.db2.gz HZIVISSPPRUNHD-SFHVURJKSA-N 1 0 386.540 3.868 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001231817724 1034927099 /nfs/dbraw/zinc/92/70/99/1034927099.db2.gz NERYNCLKAQRCKY-WOJBJXKFSA-N 1 0 380.561 3.662 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC001231818422 1034927287 /nfs/dbraw/zinc/92/72/87/1034927287.db2.gz UGFWEMVNPXIKOQ-XZOQPEGZSA-N 1 0 383.536 3.610 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001231819639 1034928431 /nfs/dbraw/zinc/92/84/31/1034928431.db2.gz DQQYSWQDFUEEFM-CEQLMSFQSA-N 1 0 398.551 3.772 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231821040 1034929049 /nfs/dbraw/zinc/92/90/49/1034929049.db2.gz OBVQPNRXJHHOJX-HKUYNNGSSA-N 1 0 386.540 3.772 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CCN(C(=O)c2ccccc2C[NH3+])CC1 ZINC001160554142 1035001052 /nfs/dbraw/zinc/00/10/52/1035001052.db2.gz FNIJLOMHOHRJMJ-UHFFFAOYSA-N 1 0 398.304 3.605 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@@H+](CCCCCOCc1ccccc1)CC2 ZINC001208810487 1035032406 /nfs/dbraw/zinc/03/24/06/1035032406.db2.gz KJWIMWIAJKJBBA-UHFFFAOYSA-N 1 0 383.536 3.868 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160747938 1035053974 /nfs/dbraw/zinc/05/39/74/1035053974.db2.gz NWATUAWIAMGRNR-BXKDBHETSA-N 1 0 390.743 3.990 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208846306 1035055199 /nfs/dbraw/zinc/05/51/99/1035055199.db2.gz ZIFFAHLNLHNBLY-UHFFFAOYSA-N 1 0 381.520 3.991 20 30 GHEDRO CC(C)[C@]1(C(=O)N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CCC[NH2+]C1 ZINC001160750748 1035055830 /nfs/dbraw/zinc/05/58/30/1035055830.db2.gz LOSSTACGRYWELL-NRFANRHFSA-N 1 0 389.927 3.607 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001208851212 1035057737 /nfs/dbraw/zinc/05/77/37/1035057737.db2.gz UJJZCAQADUIELC-UHFFFAOYSA-N 1 0 381.907 3.992 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CN(c4ccccc4)C(=O)O3)CC2)c1 ZINC001208853321 1035058996 /nfs/dbraw/zinc/05/89/96/1035058996.db2.gz IHYQFWZJZPAPFD-UHFFFAOYSA-N 1 0 375.472 3.982 20 30 GHEDRO N#Cc1cc2c(nc1-n1cc(C[NH3+])c3ccc(Br)cc31)CCCC2 ZINC001160757883 1035059381 /nfs/dbraw/zinc/05/93/81/1035059381.db2.gz AJXJYQNXMKLDGQ-UHFFFAOYSA-N 1 0 381.277 3.997 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](CCCc3cccc(C#N)c3)C2)c1 ZINC001208853952 1035059588 /nfs/dbraw/zinc/05/95/88/1035059588.db2.gz CZGDVFKPQGTQEE-NRFANRHFSA-N 1 0 382.529 3.774 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(CCCc4cccc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001208852426 1035059677 /nfs/dbraw/zinc/05/96/77/1035059677.db2.gz JVPVMQQOJBWYEE-UPVQGACJSA-N 1 0 375.516 3.637 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](CCCc2cccc(C#N)c2)CCC1(F)F ZINC001208854075 1035060014 /nfs/dbraw/zinc/06/00/14/1035060014.db2.gz IVJMWHBOXYXLBV-KRWDZBQOSA-N 1 0 379.451 3.725 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)cc1 ZINC001208863700 1035065339 /nfs/dbraw/zinc/06/53/39/1035065339.db2.gz KFHRGFWUIFWLLW-LJQANCHMSA-N 1 0 377.463 3.750 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)cc1 ZINC001208922955 1035089871 /nfs/dbraw/zinc/08/98/71/1035089871.db2.gz LVSUUIHYQQQLTR-QFIPXVFZSA-N 1 0 391.515 3.693 20 30 GHEDRO CC(C)OCc1nn(CC2CC2)c2c1C[N@H+](CCc1ccc(C#N)cc1)CC2 ZINC001208924129 1035090662 /nfs/dbraw/zinc/09/06/62/1035090662.db2.gz WLIBWRGESAKAMV-UHFFFAOYSA-N 1 0 378.520 3.691 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC001208926748 1035091805 /nfs/dbraw/zinc/09/18/05/1035091805.db2.gz LADKGDOFLQTKFO-RUZDIDTESA-N 1 0 396.494 3.732 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)cc1 ZINC001208927318 1035093079 /nfs/dbraw/zinc/09/30/79/1035093079.db2.gz XINUDFJHELYZKN-QFIPXVFZSA-N 1 0 391.515 3.693 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001160940533 1035099271 /nfs/dbraw/zinc/09/92/71/1035099271.db2.gz OWDSRLYWTSIZNR-YDFBLROQSA-N 1 0 395.453 3.721 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CN[C@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001160957576 1035105544 /nfs/dbraw/zinc/10/55/44/1035105544.db2.gz NPWRBMQEYXIMOU-KXBFYZLASA-N 1 0 376.863 3.669 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1-n1c(C[NH3+])cc2ccncc21 ZINC001160966365 1035107798 /nfs/dbraw/zinc/10/77/98/1035107798.db2.gz DCAZUWLBHHMXAH-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C1 ZINC001160993836 1035114535 /nfs/dbraw/zinc/11/45/35/1035114535.db2.gz DTMCQAJJCAGVDI-WWPVKYPJSA-N 1 0 387.527 3.733 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H](CC[N@@H+]2CCc3cc(C#N)ccc3C2)COC1(C)C ZINC001209010291 1035148717 /nfs/dbraw/zinc/14/87/17/1035148717.db2.gz PPZYKLKDKJXFSP-IBGZPJMESA-N 1 0 385.508 3.678 20 30 GHEDRO C=CCN(CC[NH+]1CCC(C(=O)c2ccc(OCC)cc2)CC1)C(=O)OCC ZINC001209022305 1035152340 /nfs/dbraw/zinc/15/23/40/1035152340.db2.gz VAVDSHZXQJSINW-UHFFFAOYSA-N 1 0 388.508 3.625 20 30 GHEDRO C=CCN(CC[NH+]1CCC(c2nnc(-c3ccccc3)o2)CC1)C(=O)OCC ZINC001209021918 1035152538 /nfs/dbraw/zinc/15/25/38/1035152538.db2.gz NKVYQIONNQUKCW-UHFFFAOYSA-N 1 0 384.480 3.561 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccnc4c(F)cccc34)C2)C1 ZINC001232207549 1035161964 /nfs/dbraw/zinc/16/19/64/1035161964.db2.gz JUNQZNPFMVRFRU-QFIPXVFZSA-N 1 0 383.467 3.984 20 30 GHEDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccn1 ZINC001232216210 1035166140 /nfs/dbraw/zinc/16/61/40/1035166140.db2.gz SAHQVNBFEVVHJY-XMMPIXPASA-N 1 0 388.515 3.880 20 30 GHEDRO Cc1cc(F)cc(CN(C(=O)/C=C/C(=O)c2ccccc2)C2CC[NH2+]CC2)c1 ZINC001161279824 1035199997 /nfs/dbraw/zinc/19/99/97/1035199997.db2.gz MKTCEERKEPALLM-BQYQJAHWSA-N 1 0 380.463 3.654 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](CCc3ccccc3C(F)(F)F)C2)CC1 ZINC001209279465 1035229038 /nfs/dbraw/zinc/22/90/38/1035229038.db2.gz FAVZZDJWZFUXCH-UHFFFAOYSA-N 1 0 382.426 3.968 20 30 GHEDRO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1cscn1)O2 ZINC001209423753 1035272095 /nfs/dbraw/zinc/27/20/95/1035272095.db2.gz DKWHOJZFMQVNRU-FXAWDEMLSA-N 1 0 377.554 3.633 20 30 GHEDRO CCCCCCCOc1ccc(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)cc1 ZINC001241218272 1035538404 /nfs/dbraw/zinc/53/84/04/1035538404.db2.gz NZJJLYCZMSOMON-UHFFFAOYSA-N 1 0 396.535 3.933 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(-c4ccc(F)cc4)cn3)no2)cc1 ZINC001248158970 1035586020 /nfs/dbraw/zinc/58/60/20/1035586020.db2.gz IKHJXFMIGNGAET-FQEVSTJZSA-N 1 0 399.429 3.922 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cccc4c(Cl)ccnc34)no2)cc1 ZINC001248159512 1035587643 /nfs/dbraw/zinc/58/76/43/1035587643.db2.gz OGNTXECTNSTAHD-HNNXBMFYSA-N 1 0 389.846 3.922 20 30 GHEDRO CC(C)[C@H](C#N)c1ccc(-c2ccc(NCCN3CC[NH+](C)CC3)nc2)cc1 ZINC001241565780 1035623751 /nfs/dbraw/zinc/62/37/51/1035623751.db2.gz LEUXRFABKIPIGC-QFIPXVFZSA-N 1 0 377.536 3.671 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2ccccc2C2(C#N)CCOCC2)cc1 ZINC001241784315 1035700979 /nfs/dbraw/zinc/70/09/79/1035700979.db2.gz LNNFERLQGSVNLI-UHFFFAOYSA-N 1 0 391.515 3.607 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC001248532168 1035938027 /nfs/dbraw/zinc/93/80/27/1035938027.db2.gz WJTVLWNFLHIWFE-SSKFGXFMSA-N 1 0 376.504 3.926 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1c(C)cccc1Br)CC2 ZINC001248609463 1035987896 /nfs/dbraw/zinc/98/78/96/1035987896.db2.gz UQIGZMPBTMFBIN-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO CC#Cc1cncc(-c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)c1 ZINC001242940119 1036000102 /nfs/dbraw/zinc/00/01/02/1036000102.db2.gz AMAIIBVWHMFPTI-LJQANCHMSA-N 1 0 385.471 3.630 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001248753080 1036110183 /nfs/dbraw/zinc/11/01/83/1036110183.db2.gz QHMZGIZJKBBTIC-UHFFFAOYSA-N 1 0 387.487 3.778 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(Cl)c1OC)C2 ZINC001248797786 1036167601 /nfs/dbraw/zinc/16/76/01/1036167601.db2.gz SBHCLRBXFJYQER-NQIIRXRSSA-N 1 0 395.927 3.931 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc(C[C@H]4CC[NH2+]C[C@H]4F)n3)cc2)cc1 ZINC001248908923 1036236862 /nfs/dbraw/zinc/23/68/62/1036236862.db2.gz WNIDGCHZTQYBDK-VQIMIIECSA-N 1 0 378.407 3.891 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1ncccc1C#C[Si](C)(C)C ZINC001244156558 1036399403 /nfs/dbraw/zinc/39/94/03/1036399403.db2.gz UJQVNOCVGMCWBJ-UHFFFAOYSA-N 1 0 379.580 3.738 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2nc(C#N)c(C#N)nc2-c2ccccc2)cc1 ZINC001245336543 1036884310 /nfs/dbraw/zinc/88/43/10/1036884310.db2.gz KBFMKIFZXJKFTL-UHFFFAOYSA-N 1 0 383.455 3.884 20 30 GHEDRO COc1cc(C(F)(F)F)c(C#N)c(-c2ccc(COC3CC[NH2+]CC3)cc2)n1 ZINC001245407169 1036910318 /nfs/dbraw/zinc/91/03/18/1036910318.db2.gz SMVYXGZICJBZKO-UHFFFAOYSA-N 1 0 391.393 3.916 20 30 GHEDRO N#C[C@@H](c1ccc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)nn1)c1ccccc1F ZINC001245418023 1036915530 /nfs/dbraw/zinc/91/55/30/1036915530.db2.gz IJBRAPSGUINYLK-IEBWSBKVSA-N 1 0 378.451 3.539 20 30 GHEDRO COc1ccc(C[NH+]2CCC(NC(=S)Nc3ccc(C#N)cc3)CC2)cc1 ZINC001245935974 1037066586 /nfs/dbraw/zinc/06/65/86/1037066586.db2.gz CDFVTAXUMAJPCS-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO N#Cc1c2c(sc1NC[C@H](O)C(c1ccccc1)c1ccccc1)C[NH2+]CC2 ZINC001245958176 1037079752 /nfs/dbraw/zinc/07/97/52/1037079752.db2.gz XCADNTGJGJBDRX-FQEVSTJZSA-N 1 0 389.524 3.870 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246033905 1037149071 /nfs/dbraw/zinc/14/90/71/1037149071.db2.gz OGEVBCJJLTZPEW-ZRBLBEILSA-N 1 0 398.632 3.595 20 30 GHEDRO ON=C(N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001246163500 1037217930 /nfs/dbraw/zinc/21/79/30/1037217930.db2.gz YFENZITYQSNDTN-WBVHZDCISA-N 1 0 379.382 3.804 20 30 GHEDRO C[C@H]1C[C@H](NCc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C[NH2+]1 ZINC001246296680 1037282481 /nfs/dbraw/zinc/28/24/81/1037282481.db2.gz STIKOTHAQWZRMO-JXFKEZNVSA-N 1 0 385.471 3.648 20 30 GHEDRO C=CCC[C@H]1CCCN1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001246479673 1037426831 /nfs/dbraw/zinc/42/68/31/1037426831.db2.gz VKWMWVHEQFADMF-NRFANRHFSA-N 1 0 385.552 3.544 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCN[C@H](c4ccccc4)C3)C2)C1 ZINC001246546885 1037473822 /nfs/dbraw/zinc/47/38/22/1037473822.db2.gz FGFFCHTVRZCZEI-FUPPJEDESA-N 1 0 383.536 3.590 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CCN[C@H](c4ccccc4)C3)C2)C1 ZINC001246546900 1037474417 /nfs/dbraw/zinc/47/44/17/1037474417.db2.gz FGFFCHTVRZCZEI-QNWVGRARSA-N 1 0 383.536 3.590 20 30 GHEDRO N#C[C@@H]1C[C@@H](N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCN1 ZINC001246833847 1037663599 /nfs/dbraw/zinc/66/35/99/1037663599.db2.gz IIFTWSLOEYGXAO-RJGXRXQPSA-N 1 0 394.950 3.691 20 30 GHEDRO CC[C@]1(C(=O)OC)C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)CN1 ZINC001246892234 1037709004 /nfs/dbraw/zinc/70/90/04/1037709004.db2.gz QQLWSUYXTCRYLT-IHLLOCCUSA-N 1 0 391.515 3.805 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001246899227 1037713073 /nfs/dbraw/zinc/71/30/73/1037713073.db2.gz ORAAFHFPHLRZSD-GMAHTHKFSA-N 1 0 393.531 3.646 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001246899224 1037713308 /nfs/dbraw/zinc/71/33/08/1037713308.db2.gz ORAAFHFPHLRZSD-GGAORHGYSA-N 1 0 393.531 3.646 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCCN(Cc1cnc(Br)cc1C)C2 ZINC001232313649 1038074286 /nfs/dbraw/zinc/07/42/86/1038074286.db2.gz AMPBFUCKOIOPQX-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCOc1ccc(-c2noc(C3(Cc4ccccn4)CC[NH2+]CC3)n2)c(F)c1 ZINC001247305349 1038094094 /nfs/dbraw/zinc/09/40/94/1038094094.db2.gz IHRFCIYPFQGVIO-UHFFFAOYSA-N 1 0 394.450 3.699 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(OCc3ccccc3)no1)C2 ZINC001232447133 1038227257 /nfs/dbraw/zinc/22/72/57/1038227257.db2.gz MSDIMKWGNAMCSF-JTHBVZDNSA-N 1 0 398.503 3.827 20 30 GHEDRO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001277667027 1038238900 /nfs/dbraw/zinc/23/89/00/1038238900.db2.gz ZZURAUOLKQZHDQ-UHFFFAOYSA-N 1 0 378.900 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[N@@H+]2Cc2cc(C#N)ccn2)CC1 ZINC001232476540 1038259945 /nfs/dbraw/zinc/25/99/45/1038259945.db2.gz BFSUTLYBOFTYQM-HXUWFJFHSA-N 1 0 384.524 3.955 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3cc(Cl)cs3)C2)C1=O ZINC001277673143 1038269716 /nfs/dbraw/zinc/26/97/16/1038269716.db2.gz KHLZDJCPLVEMTP-TZIWHRDSSA-N 1 0 384.932 3.853 20 30 GHEDRO C=CCC[C@@H](N)c1nc(-c2cc(I)ccc2Cl)no1 ZINC001247621842 1038278543 /nfs/dbraw/zinc/27/85/43/1038278543.db2.gz AHJUTMCZEZEOEM-LLVKDONJSA-N 1 0 389.624 3.961 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cnc(C)c3)c(OC)c1)C2 ZINC001232561173 1038329359 /nfs/dbraw/zinc/32/93/59/1038329359.db2.gz DDODLTFGQKJAOK-NFBKMPQASA-N 1 0 397.519 3.515 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3C[C@@]4(CO3)CCC[NH2+]C4)n2)cc1Cl ZINC001247929173 1038504084 /nfs/dbraw/zinc/50/40/84/1038504084.db2.gz IINFDLZBJKVGFJ-PBHICJAKSA-N 1 0 379.247 3.746 20 30 GHEDRO N#Cc1cc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)ccc1Br ZINC001232897439 1038692739 /nfs/dbraw/zinc/69/27/39/1038692739.db2.gz NEZSTESLESZSSP-ROUUACIJSA-N 1 0 382.305 3.889 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c(C#N)c1 ZINC001232965211 1038739156 /nfs/dbraw/zinc/73/91/56/1038739156.db2.gz QMBCJCKOENUTAD-VWLOTQADSA-N 1 0 387.527 3.924 20 30 GHEDRO COCCN(Cc1ccc(C)cc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232968650 1038741029 /nfs/dbraw/zinc/74/10/29/1038741029.db2.gz KTZHZBUPHOWZQB-FQEVSTJZSA-N 1 0 387.524 3.715 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C#N)cc3C)C[C@@H]2c2ccccc2)C1=O ZINC001233080367 1038847896 /nfs/dbraw/zinc/84/78/96/1038847896.db2.gz XAASJQGMTMLHDG-NOZRDPDXSA-N 1 0 385.511 3.871 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001252139137 1038889391 /nfs/dbraw/zinc/88/93/91/1038889391.db2.gz JSTCPOLMTSOZQG-IYWMVGAKSA-N 1 0 398.588 3.854 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)cc(C)c1O)C2 ZINC001233111088 1038902185 /nfs/dbraw/zinc/90/21/85/1038902185.db2.gz ZMKNSTZZOMFQCU-MJGOQNOKSA-N 1 0 396.325 3.789 20 30 GHEDRO C[C@@](O)(C[NH+]1C2CCCC1CCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252325428 1038942764 /nfs/dbraw/zinc/94/27/64/1038942764.db2.gz VXSBINSNPCTZLA-LADRWXRNSA-N 1 0 395.425 3.674 20 30 GHEDRO CC(C)(CC1CCC1)[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252337537 1038946632 /nfs/dbraw/zinc/94/66/32/1038946632.db2.gz AENJNXBRKMUQFV-LJQANCHMSA-N 1 0 397.441 3.825 20 30 GHEDRO CC(C)CC[C@H](C)[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340547 1038946659 /nfs/dbraw/zinc/94/66/59/1038946659.db2.gz RJGCJOQPRUEYDR-UGSOOPFHSA-N 1 0 385.430 3.681 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CC2CCC1CC2 ZINC001252513626 1039012666 /nfs/dbraw/zinc/01/26/66/1039012666.db2.gz BOULHZVGWXWJEX-QAYXBAAESA-N 1 0 382.552 3.846 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001252582383 1039037129 /nfs/dbraw/zinc/03/71/29/1039037129.db2.gz QOEXHEBGIFBCQG-CRAIPNDOSA-N 1 0 399.329 3.542 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC001252597435 1039040857 /nfs/dbraw/zinc/04/08/57/1039040857.db2.gz ZJKGEORMQQUMSA-QUCCMNQESA-N 1 0 382.548 3.503 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC001462331966 1070178058 /nfs/dbraw/zinc/17/80/58/1070178058.db2.gz JHOBHCRNJPLGBV-FXAWDEMLSA-N 1 0 380.488 3.967 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001252644363 1039062090 /nfs/dbraw/zinc/06/20/90/1039062090.db2.gz HSSSMXIJSXHNFB-XLIONFOSSA-N 1 0 378.476 3.764 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnc3cccc(Cl)n13)C2 ZINC001233356994 1039177471 /nfs/dbraw/zinc/17/74/71/1039177471.db2.gz GOCSIISLFDLHOY-FXAWDEMLSA-N 1 0 375.900 3.561 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc3cccc(Cl)n13)[C@@H]2CC ZINC001233357063 1039177755 /nfs/dbraw/zinc/17/77/55/1039177755.db2.gz IJOSNPQPWSKJJA-UTKZUKDTSA-N 1 0 386.927 3.909 20 30 GHEDRO CCCCCCCCCC[C@@H](O)CNC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001252986000 1039314356 /nfs/dbraw/zinc/31/43/56/1039314356.db2.gz JYNXCQXJKQECQR-GOSISDBHSA-N 1 0 382.570 3.687 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453076 1039336126 /nfs/dbraw/zinc/33/61/26/1039336126.db2.gz UKYPBLFIOFWGDO-MOPGFXCFSA-N 1 0 385.426 3.985 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(CCOC)cc1 ZINC001253073356 1039401809 /nfs/dbraw/zinc/40/18/09/1039401809.db2.gz QIPJAKIHSMCUHM-QUCCMNQESA-N 1 0 385.504 3.531 20 30 GHEDRO COC(=O)c1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC001233525424 1039412304 /nfs/dbraw/zinc/41/23/04/1039412304.db2.gz CGXVNJMFBJVLIW-UHFFFAOYSA-N 1 0 378.472 3.808 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001253236505 1039490760 /nfs/dbraw/zinc/49/07/60/1039490760.db2.gz DPRLDMWEVDMFSG-CLAROIROSA-N 1 0 388.552 3.827 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001253243259 1039500117 /nfs/dbraw/zinc/50/01/17/1039500117.db2.gz TUNUITBTVFSBGA-JKSUJKDBSA-N 1 0 387.446 3.836 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253248999 1039503086 /nfs/dbraw/zinc/50/30/86/1039503086.db2.gz FVFQRASEACNBBG-IBGZPJMESA-N 1 0 398.588 3.616 20 30 GHEDRO CC#C[C@@H](CC(=O)OC)c1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)cc1 ZINC001233726762 1039569773 /nfs/dbraw/zinc/56/97/73/1039569773.db2.gz OSKSQWPEUBOGKV-RCZSKKKRSA-N 1 0 392.499 3.966 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cc1 ZINC001233743225 1039582082 /nfs/dbraw/zinc/58/20/82/1039582082.db2.gz WJXLAUZBYIZAEA-TYCQWZJGSA-N 1 0 381.907 3.834 20 30 GHEDRO C[C@H](CS)Oc1ccccc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001233829500 1039650425 /nfs/dbraw/zinc/65/04/25/1039650425.db2.gz SIYRPDAQMPDQQX-OAHLLOKOSA-N 1 0 380.554 3.873 20 30 GHEDRO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253459612 1039651648 /nfs/dbraw/zinc/65/16/48/1039651648.db2.gz LWCIZIRNCSAHND-PKTZIBPZSA-N 1 0 392.543 3.994 20 30 GHEDRO C=C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC001253575451 1039708690 /nfs/dbraw/zinc/70/86/90/1039708690.db2.gz AMODIBBHDGXQCT-CUWPLCDZSA-N 1 0 399.462 3.586 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC1(C)COC1 ZINC001253614244 1039722679 /nfs/dbraw/zinc/72/26/79/1039722679.db2.gz KYWWKBVPULAXGH-NRFANRHFSA-N 1 0 387.605 3.928 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC(C)(C)O ZINC001253614114 1039723645 /nfs/dbraw/zinc/72/36/45/1039723645.db2.gz JNTNQZQBGSJNAQ-FQEVSTJZSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC(OC)OC ZINC001253615065 1039724304 /nfs/dbraw/zinc/72/43/04/1039724304.db2.gz ZVGWSWVNBCEUOM-FQEVSTJZSA-N 1 0 391.593 3.510 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC001253617125 1039729182 /nfs/dbraw/zinc/72/91/82/1039729182.db2.gz ZZUOTKGDDHUJFX-FCHUYYIVSA-N 1 0 387.605 3.616 20 30 GHEDRO C#C[C@@H](C)Oc1cc2c(cc1OC)CC[N@@+]1(C)Cc3cc(OC)c(O)cc3C[C@@H]21 ZINC001234128572 1039868915 /nfs/dbraw/zinc/86/89/15/1039868915.db2.gz CQYMFDUDMSPTNZ-JUCRVNNTSA-O 1 0 394.491 3.610 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC1=O ZINC001254255107 1040101621 /nfs/dbraw/zinc/10/16/21/1040101621.db2.gz CNOFOBNPFSHBAQ-FQEVSTJZSA-N 1 0 382.504 3.676 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC(=O)N2CCc3ccccc32)CC1 ZINC001254345248 1040179249 /nfs/dbraw/zinc/17/92/49/1040179249.db2.gz VDDFUVPDTBGPPN-UHFFFAOYSA-N 1 0 377.463 3.709 20 30 GHEDRO CN1c2cc(C[NH2+]C3CCC(C#N)(c4ccc(F)cc4)CC3)ccc2OCC1=O ZINC001254351579 1040185121 /nfs/dbraw/zinc/18/51/21/1040185121.db2.gz LPOPMCTVFJDZKO-UHFFFAOYSA-N 1 0 393.462 3.675 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(N3CC(F)(F)C3)CC2)CC1 ZINC001254355224 1040188181 /nfs/dbraw/zinc/18/81/81/1040188181.db2.gz BAYZETYDSKXNMA-UHFFFAOYSA-N 1 0 377.454 3.945 20 30 GHEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470393 1040256368 /nfs/dbraw/zinc/25/63/68/1040256368.db2.gz UQARUBOOPKZQOD-UHFFFAOYSA-N 1 0 389.459 3.764 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001254482292 1040270074 /nfs/dbraw/zinc/27/00/74/1040270074.db2.gz RTXLJBWROPNNBS-MBSDFSHPSA-N 1 0 394.563 3.712 20 30 GHEDRO C=CCO[C@@H]1CCN(CC(=O)N[C@@H](c2cccs2)c2ccc(CC)cc2)C1 ZINC001254559293 1040330156 /nfs/dbraw/zinc/33/01/56/1040330156.db2.gz ZHYUEGPDAJPVPO-DENIHFKCSA-N 1 0 384.545 3.793 20 30 GHEDRO C=C[C@@H](CC)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC001234817174 1040345785 /nfs/dbraw/zinc/34/57/85/1040345785.db2.gz JXQRFTABGIKHTD-LZDTVADOSA-N 1 0 397.515 3.656 20 30 GHEDRO CC(C)C(=O)N(C)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001234836536 1040358127 /nfs/dbraw/zinc/35/81/27/1040358127.db2.gz KLWIIZJJLFMVFT-QFIPXVFZSA-N 1 0 377.488 3.830 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254597897 1040369748 /nfs/dbraw/zinc/36/97/48/1040369748.db2.gz IXXPZCVIYZTQAG-FQEVSTJZSA-N 1 0 399.491 3.563 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254645962 1040416627 /nfs/dbraw/zinc/41/66/27/1040416627.db2.gz ILTHQLUDNIHQEG-IEBWSBKVSA-N 1 0 384.524 3.526 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)(Cc2cccnc2)CC1 ZINC001254648531 1040418554 /nfs/dbraw/zinc/41/85/54/1040418554.db2.gz MHORCNVRKJHFHK-AZUAARDMSA-N 1 0 398.551 3.923 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)CC(=O)c2cc(Br)ccc2O3)C1 ZINC001254669148 1040428476 /nfs/dbraw/zinc/42/84/76/1040428476.db2.gz PPRCPBGBTMOHEK-DZGCQCFKSA-N 1 0 389.293 3.941 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1ccc(Cl)cc1C#N)CC2 ZINC001235021079 1040513138 /nfs/dbraw/zinc/51/31/38/1040513138.db2.gz XPUPQPDWFYLJCC-UHFFFAOYSA-N 1 0 381.907 3.857 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(-c3nnc(C)o3)cc1)CC2 ZINC001235046921 1040540948 /nfs/dbraw/zinc/54/09/48/1040540948.db2.gz AMSYGCDAOAJRAW-JOCHJYFZSA-N 1 0 380.492 3.578 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001255110253 1040792991 /nfs/dbraw/zinc/79/29/91/1040792991.db2.gz IIFUFFUQQPXCKK-JOCHJYFZSA-N 1 0 397.563 3.762 20 30 GHEDRO N#Cc1ccccc1N1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255137998 1040841529 /nfs/dbraw/zinc/84/15/29/1040841529.db2.gz ZNQQRBSJLOOMOU-UBRQYEGLSA-N 1 0 386.543 3.876 20 30 GHEDRO CC[C@H](CC#N)[N@H+](C1CCOCC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001255177935 1040887342 /nfs/dbraw/zinc/88/73/42/1040887342.db2.gz YSENBKHXUQYODY-KZNAEPCWSA-N 1 0 379.545 3.996 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3ccccc3CC#N)C[C@H]2CF)CC1 ZINC001235517513 1040972287 /nfs/dbraw/zinc/97/22/87/1040972287.db2.gz YNGYLJZVJBNPJI-RTBURBONSA-N 1 0 387.499 3.827 20 30 GHEDRO N#Cc1cc(CN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)c(F)cc1F ZINC001235795007 1041291420 /nfs/dbraw/zinc/29/14/20/1041291420.db2.gz HYALUDHWGYJVLQ-GOSISDBHSA-N 1 0 392.247 3.745 20 30 GHEDRO N#Cc1ccc(F)c(CN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)c1F ZINC001235798561 1041301172 /nfs/dbraw/zinc/30/11/72/1041301172.db2.gz KCDVHKDCPTWZLL-QGZVFWFLSA-N 1 0 392.247 3.745 20 30 GHEDRO C[C@@H](Cc1ccccc1F)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001255852434 1041347922 /nfs/dbraw/zinc/34/79/22/1041347922.db2.gz CJUKOSLIZFDDBW-INIZCTEOSA-N 1 0 380.467 3.914 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)C1 ZINC001255916822 1041399591 /nfs/dbraw/zinc/39/95/91/1041399591.db2.gz COPXWPFWSKPGON-AZUAARDMSA-N 1 0 385.508 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001255919140 1041406562 /nfs/dbraw/zinc/40/65/62/1041406562.db2.gz INCWKUFUUFFWGZ-QUCCMNQESA-N 1 0 385.508 3.801 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001236154457 1041577590 /nfs/dbraw/zinc/57/75/90/1041577590.db2.gz NBCKQRFHCFJCEM-LJQANCHMSA-N 1 0 384.600 3.906 20 30 GHEDRO C#CCOc1ccc(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)cc1OC ZINC001236351363 1041678987 /nfs/dbraw/zinc/67/89/87/1041678987.db2.gz CBMHCSNHUZSQHM-FQEVSTJZSA-N 1 0 382.479 3.601 20 30 GHEDRO C#CCOc1ccc(CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1OC ZINC001236404766 1041702768 /nfs/dbraw/zinc/70/27/68/1041702768.db2.gz UUHJDTQSEIYNIA-UHFFFAOYSA-N 1 0 382.479 3.601 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@H](C)Cc3ccccn3)c3ccccc32)cc1 ZINC001256409959 1041721587 /nfs/dbraw/zinc/72/15/87/1041721587.db2.gz PGDFLHCVIGRWOP-QGZVFWFLSA-N 1 0 399.498 3.825 20 30 GHEDRO COC(=O)c1cccc(CN(Cc2cc(C#N)ccc2Cl)C2CC[NH2+]CC2)c1 ZINC001236464253 1041725958 /nfs/dbraw/zinc/72/59/58/1041725958.db2.gz CUXSNEIZSKRALN-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO C#CCOc1ccc(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)cc1 ZINC001236498181 1041740655 /nfs/dbraw/zinc/74/06/55/1041740655.db2.gz WNABVEBXLBJFJA-UHFFFAOYSA-N 1 0 388.433 3.870 20 30 GHEDRO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1Br ZINC001236862740 1041932965 /nfs/dbraw/zinc/93/29/65/1041932965.db2.gz WRIFWWCWHACQFX-UHFFFAOYSA-N 1 0 382.305 3.639 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(Cc3ccc(C#N)c(Br)c3)CC2)cc1 ZINC001236863317 1041933039 /nfs/dbraw/zinc/93/30/39/1041933039.db2.gz IFPWKOGYGPVBSG-UHFFFAOYSA-N 1 0 384.321 3.947 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccnc3c(OC)cccc13)C2 ZINC001237107366 1042041312 /nfs/dbraw/zinc/04/13/12/1042041312.db2.gz BMUDUSUJZNFPFS-JTHBVZDNSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1NC(C)=O)CC2 ZINC001237405223 1042193730 /nfs/dbraw/zinc/19/37/30/1042193730.db2.gz UMGARNMUMLRFLV-UHFFFAOYSA-N 1 0 385.508 3.646 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237466657 1042219755 /nfs/dbraw/zinc/21/97/55/1042219755.db2.gz OARIFDZLUGFWSZ-INIZCTEOSA-N 1 0 382.508 3.739 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c2cc(C#N)ccc21 ZINC001237470644 1042222552 /nfs/dbraw/zinc/22/25/52/1042222552.db2.gz WEVBACIJIXNIJT-JOCHJYFZSA-N 1 0 384.483 3.503 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c2cc(C#N)ccc21 ZINC001237471023 1042223048 /nfs/dbraw/zinc/22/30/48/1042223048.db2.gz ZRBPKQDBVZBMHI-QFIPXVFZSA-N 1 0 398.510 3.546 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(C#N)c3)CC[C@@H]2C1 ZINC001237747527 1042351086 /nfs/dbraw/zinc/35/10/86/1042351086.db2.gz CVLYPUFHQPAKIH-SJORKVTESA-N 1 0 375.900 3.900 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cc(Cl)cc(C#N)c2)CC3)cn1 ZINC001237750248 1042353159 /nfs/dbraw/zinc/35/31/59/1042353159.db2.gz GEQLTFWTBPEUGD-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc(-c3ccccn3)n1)CC2 ZINC001237831332 1042390950 /nfs/dbraw/zinc/39/09/50/1042390950.db2.gz DKTOYYYNVCQYFF-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3csc(-c4ccc(O)cc4)n3)C2)C1=O ZINC001237980406 1042443366 /nfs/dbraw/zinc/44/33/66/1042443366.db2.gz SVQWGNBGPJZEKU-OAQYLSRUSA-N 1 0 383.517 3.516 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001238348312 1042564413 /nfs/dbraw/zinc/56/44/13/1042564413.db2.gz RCXWRWUFVAEURY-WOJBJXKFSA-N 1 0 388.618 3.738 20 30 GHEDRO COc1cc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(-c2ccccc2)cn1 ZINC001238604380 1042655400 /nfs/dbraw/zinc/65/54/00/1042655400.db2.gz NWHVKYBISNUTLI-UHFFFAOYSA-N 1 0 399.498 3.736 20 30 GHEDRO COc1ccc(-c2ccncc2)c(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001238658603 1042673668 /nfs/dbraw/zinc/67/36/68/1042673668.db2.gz FTGRYWGXBKOOEU-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-c4ccc(Cl)cn4)cc3)CC2)c1 ZINC001238682536 1042683220 /nfs/dbraw/zinc/68/32/20/1042683220.db2.gz IEKXXSSLPRKPCP-UHFFFAOYSA-N 1 0 389.890 3.991 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(N3CCCC3)c1)CC2 ZINC001238703041 1042692267 /nfs/dbraw/zinc/69/22/67/1042692267.db2.gz XQFICKCYANNLDL-QHCPKHFHSA-N 1 0 385.527 3.959 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N1CC(F)(F)CC12CC[NH2+]CC2 ZINC001239042421 1042761344 /nfs/dbraw/zinc/76/13/44/1042761344.db2.gz XBXNRBDLBMQTQM-UHFFFAOYSA-N 1 0 380.545 3.920 20 30 GHEDRO N#Cc1cccc(NC(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(F)(F)F)c2)c1 ZINC001239188242 1042782620 /nfs/dbraw/zinc/78/26/20/1042782620.db2.gz GDHRJZBFGBCZBI-UHFFFAOYSA-N 1 0 389.381 3.631 20 30 GHEDRO CCCCOc1ccc(NC(=O)Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239190973 1042783267 /nfs/dbraw/zinc/78/32/67/1042783267.db2.gz ZATPBBQLFFMLKB-UHFFFAOYSA-N 1 0 393.491 3.791 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C)c1 ZINC001239225136 1042790012 /nfs/dbraw/zinc/79/00/12/1042790012.db2.gz CDQJTSBDQQJKGU-SFHVURJKSA-N 1 0 389.540 3.703 20 30 GHEDRO CCCCCCCNC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001239230747 1042791239 /nfs/dbraw/zinc/79/12/39/1042791239.db2.gz UEMVGHXWLDRUPL-UXHICEINSA-N 1 0 389.540 3.715 20 30 GHEDRO O=C(Nc1cc(F)cc(C(F)(F)F)c1)N[C@@H]([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC001239255801 1042798796 /nfs/dbraw/zinc/79/87/96/1042798796.db2.gz RZVCGSUCSZOEKE-UFBFGSQYSA-N 1 0 387.299 3.897 20 30 GHEDRO CCCCCCCOC(=O)Nc1ccc(C)cc1C(=O)NC1CC[NH2+]CC1 ZINC001239316237 1042807984 /nfs/dbraw/zinc/80/79/84/1042807984.db2.gz ZRAMIJTUUGIJAX-UHFFFAOYSA-N 1 0 375.513 3.996 20 30 GHEDRO CCCCCCCCCCNC(=S)NC1(CC(=O)OCC)CC[NH2+]CC1 ZINC001239381071 1042817580 /nfs/dbraw/zinc/81/75/80/1042817580.db2.gz UGHZZASDOQEYKO-UHFFFAOYSA-N 1 0 385.618 3.667 20 30 GHEDRO CCCCCCCCNC(=S)NCC1(Cc2cccnc2)CC[NH2+]CC1 ZINC001239390051 1042819972 /nfs/dbraw/zinc/81/99/72/1042819972.db2.gz RGAXUTSDHZCPIO-UHFFFAOYSA-N 1 0 376.614 3.819 20 30 GHEDRO C=CCCCNC(=S)NC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001239393512 1042821686 /nfs/dbraw/zinc/82/16/86/1042821686.db2.gz CZLYDWHCGHZPEF-UHFFFAOYSA-N 1 0 385.499 3.800 20 30 GHEDRO N#Cc1cc(-c2ncnc3c2ccn3Cc2ccccc2F)cc(C2C[NH2+]C2)c1 ZINC001240338134 1042922010 /nfs/dbraw/zinc/92/20/10/1042922010.db2.gz LVHMQRHJXHTEOF-UHFFFAOYSA-N 1 0 383.430 3.844 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4ccc(C(F)(F)F)c(C#N)n4)cc3)CC2)CC1 ZINC001240573108 1042941844 /nfs/dbraw/zinc/94/18/44/1042941844.db2.gz AJUYDQKONJRWCD-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO C[C@H](Cn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291108827 1043082453 /nfs/dbraw/zinc/08/24/53/1043082453.db2.gz BDLSPWUJFUPJOT-QZTJIDSGSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)[C@H]1C ZINC001291153464 1043112507 /nfs/dbraw/zinc/11/25/07/1043112507.db2.gz HEUQOXRFENDNJR-IRXDYDNUSA-N 1 0 378.524 3.536 20 30 GHEDRO N#Cc1cc(CN2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)ccc1Br ZINC001278941370 1043433009 /nfs/dbraw/zinc/43/30/09/1043433009.db2.gz OWPPCQVFRTVLEA-UHFFFAOYSA-N 1 0 399.336 3.747 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@H](C)C1)C2 ZINC001256521612 1043445509 /nfs/dbraw/zinc/44/55/09/1043445509.db2.gz ARGOIONPGFWCST-PTUXOGIPSA-N 1 0 391.559 3.534 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291844692 1043496343 /nfs/dbraw/zinc/49/63/43/1043496343.db2.gz ICRXLDZORAEKDZ-IRFCIJBXSA-N 1 0 394.567 3.900 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC001291845296 1043496772 /nfs/dbraw/zinc/49/67/72/1043496772.db2.gz NHYYXGSNDVONDB-CEWLAPEOSA-N 1 0 394.567 3.900 20 30 GHEDRO C=CCOc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)c1 ZINC001292038514 1043573659 /nfs/dbraw/zinc/57/36/59/1043573659.db2.gz HEOSQBBXMRKXTL-ISKFKSNPSA-N 1 0 392.499 3.729 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCc3c(cccc3OC)C1)[C@@H]2CC ZINC001256647903 1043592427 /nfs/dbraw/zinc/59/24/27/1043592427.db2.gz IVZQLSCCZDUOQE-CKUXNOBLSA-N 1 0 382.548 3.974 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCC1)[NH+]1CCCC1 ZINC001292185493 1043618831 /nfs/dbraw/zinc/61/88/31/1043618831.db2.gz QNHBUKXHVZGJOK-OAQYLSRUSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3ccccc3Br)C2)C1=O ZINC001256840779 1043691644 /nfs/dbraw/zinc/69/16/44/1043691644.db2.gz OCPRKGZCVWNLER-OXJNMPFZSA-N 1 0 391.353 3.881 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256910989 1043736525 /nfs/dbraw/zinc/73/65/25/1043736525.db2.gz GZCUHTXTMQZHPW-OAQYLSRUSA-N 1 0 389.584 3.894 20 30 GHEDRO N#CC1CCC([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)CC1 ZINC001256959552 1043774567 /nfs/dbraw/zinc/77/45/67/1043774567.db2.gz KFSQFBKZEGLGPK-UHFFFAOYSA-N 1 0 383.495 3.995 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](C3CCC(C#N)CC3)CC2)Oc2ccccc21 ZINC001256968906 1043776928 /nfs/dbraw/zinc/77/69/28/1043776928.db2.gz RWFRDCIANDILBV-XBMUEBEBSA-N 1 0 381.520 3.606 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCC(CC(=O)OC)CC1)[C@H]2CC ZINC001256984900 1043785272 /nfs/dbraw/zinc/78/52/72/1043785272.db2.gz WMXPSIOYGIENPF-VLMZZQAOSA-N 1 0 376.541 3.530 20 30 GHEDRO CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001257007642 1043796618 /nfs/dbraw/zinc/79/66/18/1043796618.db2.gz BMIVXJOEPCRYDO-VTLFHKLASA-N 1 0 375.516 3.913 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257007785 1043797474 /nfs/dbraw/zinc/79/74/74/1043797474.db2.gz DRRZOEHYXWOADV-CBNMVNINSA-N 1 0 399.535 3.810 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)c1cc(Cl)cc(Cl)c1)C(C)C ZINC001292958372 1043965216 /nfs/dbraw/zinc/96/52/16/1043965216.db2.gz JUWZCDWGJRTTQO-KRWDZBQOSA-N 1 0 383.319 3.991 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H](C)Cc3ccc(Br)cc3)C2)C1=O ZINC001257564613 1044047576 /nfs/dbraw/zinc/04/75/76/1044047576.db2.gz PZDNUBQHHKUQNU-UZLBHIALSA-N 1 0 391.353 3.881 20 30 GHEDRO CC(C)OC1CCC([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001257881562 1044240348 /nfs/dbraw/zinc/24/03/48/1044240348.db2.gz HXIZCBOAZNEQLT-POOLCLQXSA-N 1 0 381.520 3.723 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CCN(C(=O)c5cnccn5)C4)CC3)C[C@H](C1)C2 ZINC001257891309 1044247336 /nfs/dbraw/zinc/24/73/36/1044247336.db2.gz JFDWMTYJPANACG-YOFSQIOKSA-N 1 0 380.536 3.540 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@]4(C[C@@H](N(C)c5ncccn5)CO4)C3)C[C@H](C1)C2 ZINC001257893757 1044249485 /nfs/dbraw/zinc/24/94/85/1044249485.db2.gz ZBNZTIKGCVQHCC-OODFZBMISA-N 1 0 382.552 3.671 20 30 GHEDRO CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001293683225 1044293554 /nfs/dbraw/zinc/29/35/54/1044293554.db2.gz MLJMAVSSMYBWPG-YEFOHOTDSA-N 1 0 390.535 3.848 20 30 GHEDRO CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001293683840 1044293927 /nfs/dbraw/zinc/29/39/27/1044293927.db2.gz UTWRAPAKBOMKPZ-VEBBDIFPSA-N 1 0 390.535 3.848 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2COC[C@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001258044549 1044368110 /nfs/dbraw/zinc/36/81/10/1044368110.db2.gz QHITXPBEJSTOND-UKAVVXHISA-N 1 0 376.541 3.839 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCCO3)[C@@H]2C1 ZINC001258047943 1044371383 /nfs/dbraw/zinc/37/13/83/1044371383.db2.gz PLEWOPKWCFCDLT-NCYKPQTJSA-N 1 0 380.573 3.874 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H](C)CCCC(=O)OCC)C2)CC1 ZINC001258118115 1044405440 /nfs/dbraw/zinc/40/54/40/1044405440.db2.gz VKEIPNOUPRCEQY-GOSISDBHSA-N 1 0 380.529 3.609 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(C1CC[NH+](CCc3ccccc3)CC1)CCO2 ZINC001258141953 1044429303 /nfs/dbraw/zinc/42/93/03/1044429303.db2.gz QHEDXSLPIZYKKY-UKILVPOCSA-N 1 0 398.591 3.767 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258524885 1044602909 /nfs/dbraw/zinc/60/29/09/1044602909.db2.gz ZHBAAZWUBDKJTO-IFMALSPDSA-N 1 0 393.568 3.772 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](C1CCN(c3ccccc3Cl)CC1)CC2 ZINC001258542368 1044617804 /nfs/dbraw/zinc/61/78/04/1044617804.db2.gz ARDSFTPJGRKDQE-UHFFFAOYSA-N 1 0 387.955 3.952 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001294678976 1044760973 /nfs/dbraw/zinc/76/09/73/1044760973.db2.gz SGTWXDHOAMXPAY-PXNSSMCTSA-N 1 0 392.551 3.783 20 30 GHEDRO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC001294825245 1044811859 /nfs/dbraw/zinc/81/18/59/1044811859.db2.gz VKKXLOHRIJDACA-IBGZPJMESA-N 1 0 399.535 3.836 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1)C1CC1 ZINC001295826785 1045155420 /nfs/dbraw/zinc/15/54/20/1045155420.db2.gz AXAXUFIXTRYEGM-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1)C(C)C ZINC001295827478 1045156944 /nfs/dbraw/zinc/15/69/44/1045156944.db2.gz OKCAWLYLRVWFBS-ROUUACIJSA-N 1 0 380.540 3.639 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21)C(C)C ZINC001295827138 1045156988 /nfs/dbraw/zinc/15/69/88/1045156988.db2.gz MBKBPQNQJNTOKM-PMACEKPBSA-N 1 0 378.524 3.536 20 30 GHEDRO CC[NH+]1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)C2)CC1 ZINC001296022245 1045223520 /nfs/dbraw/zinc/22/35/20/1045223520.db2.gz VCBGFMFMRUFTTB-SFHVURJKSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001296275443 1045293142 /nfs/dbraw/zinc/29/31/42/1045293142.db2.gz WNRVNWWKCHPTNX-ZWKOTPCHSA-N 1 0 381.561 3.617 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001297380357 1045506768 /nfs/dbraw/zinc/50/67/68/1045506768.db2.gz WWHWINVXIRWVKZ-UHFFFAOYSA-N 1 0 377.941 3.972 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCCCCC1)C1CC1 ZINC001298024980 1045679824 /nfs/dbraw/zinc/67/98/24/1045679824.db2.gz OWMQFRHGNNOZQT-OAQYLSRUSA-N 1 0 392.551 3.927 20 30 GHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001298697317 1045922486 /nfs/dbraw/zinc/92/24/86/1045922486.db2.gz KWEXCCNDZXQKHT-UHFFFAOYSA-N 1 0 378.524 3.680 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300799578 1046167704 /nfs/dbraw/zinc/16/77/04/1046167704.db2.gz BAVBZSAZBZKOBR-SXSPYAJSSA-N 1 0 394.567 3.776 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300799574 1046168002 /nfs/dbraw/zinc/16/80/02/1046168002.db2.gz BAVBZSAZBZKOBR-CDNPAEQRSA-N 1 0 394.567 3.776 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc1 ZINC001262094626 1046183819 /nfs/dbraw/zinc/18/38/19/1046183819.db2.gz SZUODMRXYNSHGG-UHFFFAOYSA-N 1 0 378.476 3.510 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](CC)C1CC1 ZINC001300905163 1046232476 /nfs/dbraw/zinc/23/24/76/1046232476.db2.gz LEAXHTGCIDGAGD-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300909609 1046236791 /nfs/dbraw/zinc/23/67/91/1046236791.db2.gz XAVPGSKSTLIJFU-UHFFFAOYSA-N 1 0 384.572 3.951 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCC1CC[NH+](CC)CC1 ZINC001300918573 1046239967 /nfs/dbraw/zinc/23/99/67/1046239967.db2.gz AKLOKCRRXXIXPN-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001301095678 1046338612 /nfs/dbraw/zinc/33/86/12/1046338612.db2.gz LKGUBUCQUIBCBV-LJQANCHMSA-N 1 0 399.514 3.637 20 30 GHEDRO C=CCCCn1c(Cc2cccnc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001301227323 1046415437 /nfs/dbraw/zinc/41/54/37/1046415437.db2.gz QCUIGHGLEAMODV-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=CCn1c(N2CCC([NH2+]C(C)C)CC2)nnc1C(F)(F)c1ccc(F)cc1 ZINC001262934543 1046432581 /nfs/dbraw/zinc/43/25/81/1046432581.db2.gz YUOWKRLWIWVRQW-UHFFFAOYSA-N 1 0 393.457 3.710 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC[N@H+]1CC ZINC001301270797 1046442524 /nfs/dbraw/zinc/44/25/24/1046442524.db2.gz OSFPVWWCMSUWGV-INIZCTEOSA-N 1 0 391.466 3.653 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001301283384 1046452455 /nfs/dbraw/zinc/45/24/55/1046452455.db2.gz XFGHASNNBOYTBD-GOSISDBHSA-N 1 0 399.539 3.662 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001301299909 1046463271 /nfs/dbraw/zinc/46/32/71/1046463271.db2.gz XRHUQIYGPXMDHE-IBGZPJMESA-N 1 0 385.531 3.751 20 30 GHEDRO C=CCn1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(C#N)CCCCC1 ZINC001262992815 1046477101 /nfs/dbraw/zinc/47/71/01/1046477101.db2.gz HZJCSMAHDBZBDR-AZUAARDMSA-N 1 0 394.567 3.643 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001262995991 1046479619 /nfs/dbraw/zinc/47/96/19/1046479619.db2.gz SBGSQUROMYCDDX-PKOBYXMFSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001301383253 1046517874 /nfs/dbraw/zinc/51/78/74/1046517874.db2.gz AKOOXIYIYOPWKD-IBGZPJMESA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001301383177 1046518426 /nfs/dbraw/zinc/51/84/26/1046518426.db2.gz HCPHGMDAOAVARW-ROUUACIJSA-N 1 0 387.572 3.612 20 30 GHEDRO C=CCSCCn1c([C@@H](C)CC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001301594375 1046613154 /nfs/dbraw/zinc/61/31/54/1046613154.db2.gz BBYLAXCDIPDJQQ-ZWKOTPCHSA-N 1 0 377.602 3.775 20 30 GHEDRO C=C(C)Cn1c(CCOCC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001263341177 1046724173 /nfs/dbraw/zinc/72/41/73/1046724173.db2.gz FTTWOJREDSSPDX-PMACEKPBSA-N 1 0 389.588 3.524 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)NCC34CCC[NH+](CCC3)C4)c2)c1 ZINC001301839464 1046726944 /nfs/dbraw/zinc/72/69/44/1046726944.db2.gz JQWVXYADIVDJBD-UHFFFAOYSA-N 1 0 389.499 3.743 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001263346834 1046729963 /nfs/dbraw/zinc/72/99/63/1046729963.db2.gz YBPQVUXOXPPCAQ-MRXNPFEDSA-N 1 0 393.626 3.788 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001301957023 1046760721 /nfs/dbraw/zinc/76/07/21/1046760721.db2.gz RGWZECCVHCQDIH-RDTXWAMCSA-N 1 0 386.931 3.535 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[NH+]1CCCC1 ZINC001301964531 1046765610 /nfs/dbraw/zinc/76/56/10/1046765610.db2.gz BGNQLVTUNRHQBY-QGZVFWFLSA-N 1 0 391.523 3.508 20 30 GHEDRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N(C)C[C@H](C)C#N)C(C)C ZINC001301973622 1046771418 /nfs/dbraw/zinc/77/14/18/1046771418.db2.gz JPHIDJXRTMHHRG-QGZVFWFLSA-N 1 0 388.585 3.645 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001263405441 1046788710 /nfs/dbraw/zinc/78/87/10/1046788710.db2.gz IRSNENURYMUIHV-WOJBJXKFSA-N 1 0 384.572 3.654 20 30 GHEDRO CC(C)c1nnc(N(CCC#N)CC2CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302598125 1046997626 /nfs/dbraw/zinc/99/76/26/1046997626.db2.gz JRBIIXHAQUNQJJ-QGZVFWFLSA-N 1 0 386.569 3.896 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC1)[NH+](C)C ZINC001302813143 1047119191 /nfs/dbraw/zinc/11/91/91/1047119191.db2.gz VNPKQXXJAQYQBU-HXUWFJFHSA-N 1 0 380.540 3.639 20 30 GHEDRO C=C[C@H](CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001303094839 1047277423 /nfs/dbraw/zinc/27/74/23/1047277423.db2.gz KLBGIVGPOMRDGH-JOCHJYFZSA-N 1 0 392.543 3.880 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N ZINC001303274221 1047336686 /nfs/dbraw/zinc/33/66/86/1047336686.db2.gz ANUREVKKNQINID-MRXNPFEDSA-N 1 0 379.512 3.505 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)[N@H+](C)C1CC1 ZINC001303697553 1047484284 /nfs/dbraw/zinc/48/42/84/1047484284.db2.gz YIYWPKUUHKMCNT-KRWDZBQOSA-N 1 0 392.551 3.926 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000599526853 1047538666 /nfs/dbraw/zinc/53/86/66/1047538666.db2.gz VBQBLDYWOMAUAK-HOCLYGCPSA-N 1 0 381.339 3.670 20 30 GHEDRO N#Cc1c(N)sc(CN[C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)c1Cl ZINC001279370157 1047783585 /nfs/dbraw/zinc/78/35/85/1047783585.db2.gz IGORMCSUKGUZFP-MOPGFXCFSA-N 1 0 389.956 3.908 20 30 GHEDRO C[C@@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304959646 1047822167 /nfs/dbraw/zinc/82/21/67/1047822167.db2.gz HOBUDFMCXNZMBI-YLJYHZDGSA-N 1 0 392.551 3.956 20 30 GHEDRO C[C@H](CC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1(C#N)CCC1)CC(C)(C)C ZINC001280265990 1048151663 /nfs/dbraw/zinc/15/16/63/1048151663.db2.gz AQHFJMCAHQPQSH-IAGOWNOFSA-N 1 0 377.598 3.819 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)C)[NH+]1CCCC1 ZINC001305815992 1048250616 /nfs/dbraw/zinc/25/06/16/1048250616.db2.gz YBLKALBJHPEVLJ-HXUWFJFHSA-N 1 0 380.540 3.783 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCCCC[NH+]1CCCC1 ZINC001286282833 1048252670 /nfs/dbraw/zinc/25/26/70/1048252670.db2.gz QNOJTWNUWWXTJC-IBGZPJMESA-N 1 0 395.551 3.678 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)[NH+](CC)CC ZINC001286288272 1048256241 /nfs/dbraw/zinc/25/62/41/1048256241.db2.gz RVSZPYWBVZSSAK-ZWKOTPCHSA-N 1 0 392.551 3.625 20 30 GHEDRO C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286350640 1048282992 /nfs/dbraw/zinc/28/29/92/1048282992.db2.gz IICREMVTFJPOCM-UHFFFAOYSA-N 1 0 397.542 3.732 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC[N@H+]1CCC ZINC001286362277 1048289023 /nfs/dbraw/zinc/28/90/23/1048289023.db2.gz AALLTMDMZRQKPW-ROUUACIJSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001286372043 1048295874 /nfs/dbraw/zinc/29/58/74/1048295874.db2.gz LHMMWKVWSPRUJG-UYAOXDASSA-N 1 0 395.551 3.719 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)(C)C)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001286377037 1048297293 /nfs/dbraw/zinc/29/72/93/1048297293.db2.gz QYDDRIYZCAIJGD-OAQYLSRUSA-N 1 0 393.579 3.847 20 30 GHEDRO CCc1ccc([C@@H](Cn2c(CC3CC3)nnc2N(C)C[C@H](C)C#N)[NH+](C)C)cc1 ZINC001305916154 1048306794 /nfs/dbraw/zinc/30/67/94/1048306794.db2.gz CJLZCCWYSTZVFY-DYESRHJHSA-N 1 0 394.567 3.692 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286422780 1048313411 /nfs/dbraw/zinc/31/34/11/1048313411.db2.gz AWTDVCQEAUIWRO-OAQYLSRUSA-N 1 0 389.547 3.530 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[N@H+]2CC)cc1 ZINC001305920347 1048313399 /nfs/dbraw/zinc/31/33/99/1048313399.db2.gz MLQIZDOTBSNPKY-YLJYHZDGSA-N 1 0 380.540 3.730 20 30 GHEDRO C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286500425 1048339820 /nfs/dbraw/zinc/33/98/20/1048339820.db2.gz XQKDBOVBACYEQV-MOPGFXCFSA-N 1 0 397.592 3.539 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC(C)C)n1CC[N@@H+]1CCc2sccc2C1 ZINC001286582063 1048375603 /nfs/dbraw/zinc/37/56/03/1048375603.db2.gz ZPRLQPRQFLMJCJ-UHFFFAOYSA-N 1 0 387.597 3.999 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286605770 1048383830 /nfs/dbraw/zinc/38/38/30/1048383830.db2.gz VULKURDWFDWKPU-OAQYLSRUSA-N 1 0 395.551 3.602 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001286653961 1048421501 /nfs/dbraw/zinc/42/15/01/1048421501.db2.gz GEEAWBQOQFUMFX-UHFFFAOYSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CC1CCN(c2nnc(C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001286655889 1048423754 /nfs/dbraw/zinc/42/37/54/1048423754.db2.gz KUYXKNCDQXNUIC-UHFFFAOYSA-N 1 0 379.552 3.826 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286661761 1048427945 /nfs/dbraw/zinc/42/79/45/1048427945.db2.gz LKGDWNSEMIEWCY-UHFFFAOYSA-N 1 0 396.583 3.808 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286670179 1048434365 /nfs/dbraw/zinc/43/43/65/1048434365.db2.gz BKZFBRBBEBBFJE-SFHVURJKSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286692811 1048454039 /nfs/dbraw/zinc/45/40/39/1048454039.db2.gz OXHXPMVDSONRMU-MSOLQXFVSA-N 1 0 383.540 3.839 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCC[N@H+]1CC ZINC001286721411 1048478166 /nfs/dbraw/zinc/47/81/66/1048478166.db2.gz SMYDUZQCKRAQEN-SFHVURJKSA-N 1 0 376.508 3.600 20 30 GHEDRO CCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001306160342 1048478603 /nfs/dbraw/zinc/47/86/03/1048478603.db2.gz WVZXKVUBMFRTPH-UGKGYDQZSA-N 1 0 384.572 3.768 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CC(C)(C)C[NH+]1CCCC1)C1CC1 ZINC001286733680 1048490985 /nfs/dbraw/zinc/49/09/85/1048490985.db2.gz FROPMZPOWLFBGO-UHFFFAOYSA-N 1 0 382.556 3.560 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C ZINC001286751034 1048504274 /nfs/dbraw/zinc/50/42/74/1048504274.db2.gz LHNBKANQDHWJOR-PZJWPPBQSA-N 1 0 389.613 3.619 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1C[C@@H](C)S[C@@H](C)C1)C(C)C ZINC001286751667 1048505137 /nfs/dbraw/zinc/50/51/37/1048505137.db2.gz SDPGBIVOTAOFPM-SCTDSRPQSA-N 1 0 377.602 3.615 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)[NH+](C)C ZINC001286762292 1048514398 /nfs/dbraw/zinc/51/43/98/1048514398.db2.gz DCKCXUDCWDQRFZ-TZIWHRDSSA-N 1 0 397.567 3.705 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001286760833 1048514500 /nfs/dbraw/zinc/51/45/00/1048514500.db2.gz QSGQQIQHHNJQTM-OAQYLSRUSA-N 1 0 379.552 3.875 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001286763694 1048516024 /nfs/dbraw/zinc/51/60/24/1048516024.db2.gz QGRIUVZHOKPOLN-UHFFFAOYSA-N 1 0 379.508 3.525 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286970407 1048562516 /nfs/dbraw/zinc/56/25/16/1048562516.db2.gz NZNIFISLEMQKRT-GBESFXJTSA-N 1 0 386.588 3.585 20 30 GHEDRO CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001287104555 1048598653 /nfs/dbraw/zinc/59/86/53/1048598653.db2.gz MMWSBISZRUMCEI-GHTZIAJQSA-N 1 0 390.535 3.846 20 30 GHEDRO CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001306791285 1048896599 /nfs/dbraw/zinc/89/65/99/1048896599.db2.gz OKCQVMOLGJSHAW-HXUWFJFHSA-N 1 0 380.540 3.927 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C ZINC001287956854 1048956799 /nfs/dbraw/zinc/95/67/99/1048956799.db2.gz VEPAYQGUDOWKHG-JOCHJYFZSA-N 1 0 397.571 3.912 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)CC1 ZINC001288481624 1049106988 /nfs/dbraw/zinc/10/69/88/1049106988.db2.gz NBXCBNHOYWRMIT-ZNEWLNCYSA-N 1 0 387.527 3.605 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(c1nc(C(F)(F)F)ccc1C#N)Cc1ccccc12 ZINC001307178494 1049120615 /nfs/dbraw/zinc/12/06/15/1049120615.db2.gz LARALOQTLCPVSQ-UHFFFAOYSA-N 1 0 386.421 3.956 20 30 GHEDRO COc1cccc(N2CC[NH+](CCSCc3ccc(F)cc3C#N)CC2)c1 ZINC001307396351 1049244529 /nfs/dbraw/zinc/24/45/29/1049244529.db2.gz IOSKFZDFLFOAEN-UHFFFAOYSA-N 1 0 385.508 3.761 20 30 GHEDRO COc1cccc(N2CC[NH+](CCSCc3ccc(C#N)c(F)c3)CC2)c1 ZINC001307396249 1049244831 /nfs/dbraw/zinc/24/48/31/1049244831.db2.gz DMYIDHKIBJEUKO-UHFFFAOYSA-N 1 0 385.508 3.761 20 30 GHEDRO CCN(CC1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC001307495711 1049333401 /nfs/dbraw/zinc/33/34/01/1049333401.db2.gz PYPQJHICYCZMPG-HXUWFJFHSA-N 1 0 387.524 3.561 20 30 GHEDRO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)o1 ZINC001307497596 1049337450 /nfs/dbraw/zinc/33/74/50/1049337450.db2.gz FPTKYYCFAOOVOL-LAUBAEHRSA-N 1 0 390.483 3.915 20 30 GHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001307501544 1049343727 /nfs/dbraw/zinc/34/37/27/1049343727.db2.gz XOSAFBWJYWHJPL-JOCHJYFZSA-N 1 0 376.504 3.656 20 30 GHEDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001307555000 1049396324 /nfs/dbraw/zinc/39/63/24/1049396324.db2.gz CKBVCOGCSGVWKI-UHFFFAOYSA-N 1 0 393.915 3.607 20 30 GHEDRO C#CC[N@H+](CC1CC1)[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001307588060 1049425848 /nfs/dbraw/zinc/42/58/48/1049425848.db2.gz IDFYJFNLMXDUIE-GOSISDBHSA-N 1 0 389.337 3.907 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001307641919 1049470204 /nfs/dbraw/zinc/47/02/04/1049470204.db2.gz ZSFPOVVMBQUINR-HXUWFJFHSA-N 1 0 378.859 3.680 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CCC1 ZINC001307673532 1049495182 /nfs/dbraw/zinc/49/51/82/1049495182.db2.gz YUTMALTYLORQPZ-TZIWHRDSSA-N 1 0 392.478 3.951 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC001289531558 1049526687 /nfs/dbraw/zinc/52/66/87/1049526687.db2.gz NCWHVPBODDQIDD-JKSBSHDWSA-N 1 0 398.555 3.953 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCCc2ccccc2CC1 ZINC001307773499 1049582030 /nfs/dbraw/zinc/58/20/30/1049582030.db2.gz NSQYDELWHWAQTF-LJQANCHMSA-N 1 0 391.515 3.821 20 30 GHEDRO Cc1ccc(CC2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)cc1C ZINC001307812367 1049609398 /nfs/dbraw/zinc/60/93/98/1049609398.db2.gz FVFMJUXNZOCTRG-HSZRJFAPSA-N 1 0 378.516 3.870 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001307813387 1049610407 /nfs/dbraw/zinc/61/04/07/1049610407.db2.gz VCGOMHIIFKLKHT-FQEVSTJZSA-N 1 0 383.879 3.853 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)cc1 ZINC001307854683 1049637443 /nfs/dbraw/zinc/63/74/43/1049637443.db2.gz WGIJCYWEMAZYJD-YQQAZPJKSA-N 1 0 394.519 3.889 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001308109319 1049854952 /nfs/dbraw/zinc/85/49/52/1049854952.db2.gz VGGVMSVYEUOBKR-UHFFFAOYSA-N 1 0 399.535 3.777 20 30 GHEDRO C[N@H+](Cc1cc(C#N)cs1)C[C@](C)(O)c1ccc(Br)cc1F ZINC001308115300 1049859208 /nfs/dbraw/zinc/85/92/08/1049859208.db2.gz ZVSORILKVMNWMX-INIZCTEOSA-N 1 0 383.286 3.861 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+]C[C@@H](O)c3ccc(C#N)cc3)C(C)(C)[C@H]21 ZINC001308170546 1049898720 /nfs/dbraw/zinc/89/87/20/1049898720.db2.gz HSLPKYSOJRTQNS-ZRNYENFQSA-N 1 0 399.535 3.605 20 30 GHEDRO CCC(CC)[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CCOCC1 ZINC001308193295 1049907613 /nfs/dbraw/zinc/90/76/13/1049907613.db2.gz SOSQIQOEWSNFSY-IBGZPJMESA-N 1 0 394.357 3.547 20 30 GHEDRO C=CCOc1cccc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC001308226911 1049919149 /nfs/dbraw/zinc/91/91/49/1049919149.db2.gz YCOGGNXKXAUXQM-KRWDZBQOSA-N 1 0 381.394 3.800 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)/C=C/c2ccc(F)cc2)C1 ZINC001290890831 1049945361 /nfs/dbraw/zinc/94/53/61/1049945361.db2.gz HEHLDLHYALHRBC-LVMGUKCRSA-N 1 0 394.490 3.956 20 30 GHEDRO C#C[C@@H]([NH2+]CCC1(NC(=O)OC(C)(C)C)CCOCC1)c1ccc(F)cc1 ZINC001308786205 1050093555 /nfs/dbraw/zinc/09/35/55/1050093555.db2.gz KQRHXBRRVIGEGN-GOSISDBHSA-N 1 0 376.472 3.554 20 30 GHEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC001308794527 1050096926 /nfs/dbraw/zinc/09/69/26/1050096926.db2.gz WKTHNWLCUOQSLX-FQEVSTJZSA-N 1 0 387.487 3.718 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC001308888413 1050140969 /nfs/dbraw/zinc/14/09/69/1050140969.db2.gz PIAWMYUXIOXNMH-QYZOEREBSA-N 1 0 379.342 3.602 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001308958241 1050217354 /nfs/dbraw/zinc/21/73/54/1050217354.db2.gz FRMNCVRJHACGBK-OFNKIYASSA-N 1 0 399.535 3.969 20 30 GHEDRO C#Cc1ccc(S(=O)(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC001309088591 1050340378 /nfs/dbraw/zinc/34/03/78/1050340378.db2.gz SPXVQLZQWRCSFB-RXVVDRJESA-N 1 0 382.529 3.514 20 30 GHEDRO CC(C)Oc1ccc([C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)N(C)C)cc1 ZINC001327991812 1050347296 /nfs/dbraw/zinc/34/72/96/1050347296.db2.gz KRTJJFSKLHHTLD-JOCHJYFZSA-N 1 0 394.519 3.567 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC001328833519 1050654192 /nfs/dbraw/zinc/65/41/92/1050654192.db2.gz GHMKIWAATRZWJT-IBGZPJMESA-N 1 0 379.504 3.637 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2cnc(C(F)(F)F)c(C#N)c2)o1 ZINC001329148114 1050734757 /nfs/dbraw/zinc/73/47/57/1050734757.db2.gz ORHIQBIDQSYHPV-LBPRGKRZSA-N 1 0 379.386 3.857 20 30 GHEDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(C#N)c1 ZINC001309756374 1050957228 /nfs/dbraw/zinc/95/72/28/1050957228.db2.gz HGBFBUFKIKBCNW-OAQYLSRUSA-N 1 0 397.544 3.590 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)[C@@H]2C1 ZINC001310362339 1051307203 /nfs/dbraw/zinc/30/72/03/1051307203.db2.gz BIIDHHIUGBJEBK-KVSKMBFKSA-N 1 0 394.450 3.951 20 30 GHEDRO CCCc1c(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)cnn1-c1cccc(C#N)c1 ZINC001310576086 1051459550 /nfs/dbraw/zinc/45/95/50/1051459550.db2.gz CYDAMXZQRBAXPK-UHFFFAOYSA-N 1 0 394.523 3.550 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC001332824130 1051578447 /nfs/dbraw/zinc/57/84/47/1051578447.db2.gz USEHRSFQNYKWBT-HXUWFJFHSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC001310862894 1051662011 /nfs/dbraw/zinc/66/20/11/1051662011.db2.gz ZXCCLQNQTSBFGL-AWEZNQCLSA-N 1 0 396.329 3.867 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC001336223091 1052240200 /nfs/dbraw/zinc/24/02/00/1052240200.db2.gz CCZDSSSKOSXINE-GHTZIAJQSA-N 1 0 382.460 3.878 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCSc1ncc(C(F)(F)F)cc1Cl ZINC001336710980 1052312532 /nfs/dbraw/zinc/31/25/32/1052312532.db2.gz UMBKFKYNVCSTDH-NSHDSACASA-N 1 0 381.851 3.736 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C(c2cccs2)c2cccs2)cc1 ZINC001336779973 1052330362 /nfs/dbraw/zinc/33/03/62/1052330362.db2.gz MXAKMOFRSHLWLU-MRXNPFEDSA-N 1 0 384.526 3.995 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)CC1 ZINC001311892211 1052461475 /nfs/dbraw/zinc/46/14/75/1052461475.db2.gz TWFDDZLDVPMKHG-UHFFFAOYSA-N 1 0 391.506 3.969 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC001312021306 1052533346 /nfs/dbraw/zinc/53/33/46/1052533346.db2.gz LTIKECQQYNVWKR-BWAGFHJFSA-N 1 0 378.520 3.766 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001312322633 1052695071 /nfs/dbraw/zinc/69/50/71/1052695071.db2.gz CWXOFWGUHMFGNQ-DHIUTWEWSA-N 1 0 375.516 3.961 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001312599477 1052806181 /nfs/dbraw/zinc/80/61/81/1052806181.db2.gz OEZUOSWPZKIHDU-OAQYLSRUSA-N 1 0 382.552 3.976 20 30 GHEDRO C#Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001312728947 1052850554 /nfs/dbraw/zinc/85/05/54/1052850554.db2.gz LYGFXTWIJBVMPJ-HSZRJFAPSA-N 1 0 387.527 3.769 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC001312853571 1052893320 /nfs/dbraw/zinc/89/33/20/1052893320.db2.gz VSAKLLZSFQDKNN-RBBKRZOGSA-N 1 0 381.520 3.785 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCC=CCCC3)CC2)c1 ZINC001312944568 1052917629 /nfs/dbraw/zinc/91/76/29/1052917629.db2.gz FQYBCSUHLFEIAQ-LJQANCHMSA-N 1 0 380.536 3.958 20 30 GHEDRO C=CCOCCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313022449 1052935975 /nfs/dbraw/zinc/93/59/75/1052935975.db2.gz NDOHUQWNXQQAKD-XZOQPEGZSA-N 1 0 393.531 3.547 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nnc1C(C#N)(CC)CC ZINC001342664529 1053287970 /nfs/dbraw/zinc/28/79/70/1053287970.db2.gz LDGYPPGBZMQCED-FHWLQOOXSA-N 1 0 384.572 3.602 20 30 GHEDRO C=C(C)Cn1c(-c2cnoc2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001342680742 1053295906 /nfs/dbraw/zinc/29/59/06/1053295906.db2.gz HXDLZHMITQVDSC-UHFFFAOYSA-N 1 0 386.544 3.766 20 30 GHEDRO CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C[NH+](C)C ZINC001314663360 1053554805 /nfs/dbraw/zinc/55/48/05/1053554805.db2.gz SGKVUQLUERDWLB-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 ZINC001314665710 1053556340 /nfs/dbraw/zinc/55/63/40/1053556340.db2.gz PVRLBJZICGGWSP-JOCHJYFZSA-N 1 0 398.530 3.802 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc(OC)c2)cc1)C(C)C ZINC001343476667 1053796351 /nfs/dbraw/zinc/79/63/51/1053796351.db2.gz GSZIZBPAGYKUAX-NRFANRHFSA-N 1 0 393.487 3.887 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001343554857 1053873568 /nfs/dbraw/zinc/87/35/68/1053873568.db2.gz VMPMIPLSCVNETH-QZTJIDSGSA-N 1 0 377.577 3.898 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N1CCSC[C@H]1C ZINC001343575005 1053901004 /nfs/dbraw/zinc/90/10/04/1053901004.db2.gz FBICAQDSDPCTNK-YZGWKJHDSA-N 1 0 397.592 3.609 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001343787907 1054028943 /nfs/dbraw/zinc/02/89/43/1054028943.db2.gz VGEGKUFIKLRLOE-XUVXKRRUSA-N 1 0 387.572 3.591 20 30 GHEDRO N#CC1(COC(=O)c2cnn(C3CCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001344034066 1054202033 /nfs/dbraw/zinc/20/20/33/1054202033.db2.gz HMBUZQKSWMOGLB-UHFFFAOYSA-N 1 0 378.476 3.571 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)c2ccc(OC)c(OC)c2)CC1 ZINC001318202510 1054494905 /nfs/dbraw/zinc/49/49/05/1054494905.db2.gz WMSLBRMZIKQWIZ-UHFFFAOYSA-N 1 0 392.499 3.582 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCCC#N)n2Cc2cccs2)CC1 ZINC001344691599 1054676626 /nfs/dbraw/zinc/67/66/26/1054676626.db2.gz NJMAWZHEXCLCME-UHFFFAOYSA-N 1 0 386.569 3.545 20 30 GHEDRO N#CCc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC001318885885 1054934887 /nfs/dbraw/zinc/93/48/87/1054934887.db2.gz DPHGVPVAPLKXTQ-UHFFFAOYSA-N 1 0 397.544 3.607 20 30 GHEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001320132425 1055667622 /nfs/dbraw/zinc/66/76/22/1055667622.db2.gz XCDUZMRPFUTXDI-MNEFBYGVSA-N 1 0 375.472 3.906 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1CCCCC1 ZINC001300527342 1056372853 /nfs/dbraw/zinc/37/28/53/1056372853.db2.gz XMQHBYGPTQKMAV-UHFFFAOYSA-N 1 0 395.938 3.547 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCCCC[NH+]1CCCC1 ZINC001300571525 1056510376 /nfs/dbraw/zinc/51/03/76/1056510376.db2.gz FSQPSQGQOMYWBP-UHFFFAOYSA-N 1 0 389.547 3.674 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001300602914 1056610924 /nfs/dbraw/zinc/61/09/24/1056610924.db2.gz VNGBLNZJZXGCBG-IEBWSBKVSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2F)n1CC[N@H+](C)C1CCCCC1 ZINC001300616458 1056671983 /nfs/dbraw/zinc/67/19/83/1056671983.db2.gz HYIXGFPHELPBRV-UHFFFAOYSA-N 1 0 383.515 3.808 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001300620983 1056692704 /nfs/dbraw/zinc/69/27/04/1056692704.db2.gz IOSBAAGLCFHRPP-OAQYLSRUSA-N 1 0 379.552 3.870 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001300642894 1056753882 /nfs/dbraw/zinc/75/38/82/1056753882.db2.gz WVVICWLBDZXJHL-HXUWFJFHSA-N 1 0 397.542 3.695 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(Br)cc2C#N)[C@@H]1c1ccc(F)cc1 ZINC001324157151 1057081115 /nfs/dbraw/zinc/08/11/15/1057081115.db2.gz JQJXUYSIHHABRG-OALUTQOASA-N 1 0 388.284 3.995 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1ccccc1 ZINC001355864581 1057298917 /nfs/dbraw/zinc/29/89/17/1057298917.db2.gz XIJVETOKONVJBA-OAQYLSRUSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001356053045 1057370477 /nfs/dbraw/zinc/37/04/77/1057370477.db2.gz FGBDAQOKSPWIED-IRLDBZIGSA-N 1 0 398.514 3.567 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCc3cnn(C(C)C)c32)c(OC)c1 ZINC001325878464 1057379382 /nfs/dbraw/zinc/37/93/82/1057379382.db2.gz KHFZKEGSNCGAFE-UXHICEINSA-N 1 0 399.535 3.608 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(OC)cc2)cc1)C(C)C ZINC001356086526 1057383621 /nfs/dbraw/zinc/38/36/21/1057383621.db2.gz GDHPDSGZSVGSDK-NRFANRHFSA-N 1 0 393.487 3.887 20 30 GHEDRO C=CCn1c(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nnc1C(C)(C)C#N ZINC001356149465 1057409734 /nfs/dbraw/zinc/40/97/34/1057409734.db2.gz ZITHFUILNNUVBK-UHFFFAOYSA-N 1 0 392.551 3.614 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)nnc1C(F)(F)c1ccccc1 ZINC001356362651 1057489015 /nfs/dbraw/zinc/48/90/15/1057489015.db2.gz WMWJCOJQAUKXBF-AEFFLSMTSA-N 1 0 387.478 3.525 20 30 GHEDRO CCOCCCNC(NCc1ccc(OC)cc1)=[NH+]CC1CCC(F)(F)CC1 ZINC000848987431 1057491328 /nfs/dbraw/zinc/49/13/28/1057491328.db2.gz XDRMDJLQJQNJSV-UHFFFAOYSA-N 1 0 397.510 3.983 20 30 GHEDRO CC(C)([C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001356545156 1057545182 /nfs/dbraw/zinc/54/51/82/1057545182.db2.gz OLGQVGDDOAKMGC-LPHOPBHVSA-N 1 0 377.479 3.525 20 30 GHEDRO COc1cccc([C@H](CNC(=[NH+]Cc2ccccc2)N(C)C)N2CCCC2)c1 ZINC000849054327 1057564849 /nfs/dbraw/zinc/56/48/49/1057564849.db2.gz FVFXBQYJRUFSMV-QFIPXVFZSA-N 1 0 380.536 3.540 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001326847815 1057567004 /nfs/dbraw/zinc/56/70/04/1057567004.db2.gz UYGDRQROTPBYAG-HZPDHXFCSA-N 1 0 389.500 3.529 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC001326997335 1057583524 /nfs/dbraw/zinc/58/35/24/1057583524.db2.gz ZSPAFBBPDBHBEZ-UHFFFAOYSA-N 1 0 377.488 3.747 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3ccc(C#N)c(Br)c3)cc2)CC1 ZINC001337726650 1058237941 /nfs/dbraw/zinc/23/79/41/1058237941.db2.gz QKKIZXHWCPOXFJ-UHFFFAOYSA-N 1 0 385.309 3.685 20 30 GHEDRO Cn1c(CCCCC#N)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001338087721 1058398034 /nfs/dbraw/zinc/39/80/34/1058398034.db2.gz LMBGOXKPXPNXGW-RTWAWAEBSA-N 1 0 392.551 3.542 20 30 GHEDRO C=CCn1c(-c2cc([N+](=O)[O-])ccc2CC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001338851826 1058830953 /nfs/dbraw/zinc/83/09/53/1058830953.db2.gz NTLICMIGZNHBQD-UHFFFAOYSA-N 1 0 398.511 3.569 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1cc(C#N)ccc1C)[NH+]1CCCCC1 ZINC001441883435 1058879882 /nfs/dbraw/zinc/87/98/82/1058879882.db2.gz LLBZPLHZFBYFGI-OAQYLSRUSA-N 1 0 377.488 3.832 20 30 GHEDRO C=CCn1c([C@H]2CCCN2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001338920558 1058881879 /nfs/dbraw/zinc/88/18/79/1058881879.db2.gz GVMZJQYNRNADBW-HXUWFJFHSA-N 1 0 390.535 3.931 20 30 GHEDRO CN(c1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001441921403 1058887518 /nfs/dbraw/zinc/88/75/18/1058887518.db2.gz ZJCKKUUWZVKHLP-FQEVSTJZSA-N 1 0 390.531 3.928 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001339069410 1058947283 /nfs/dbraw/zinc/94/72/83/1058947283.db2.gz VRBXBYWSEFAOHV-ZWKOTPCHSA-N 1 0 397.571 3.504 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccc(F)cc1Br)C(C)C ZINC001443422609 1059126969 /nfs/dbraw/zinc/12/69/69/1059126969.db2.gz FNGIBBBYSXEIDS-SFHVURJKSA-N 1 0 397.332 3.946 20 30 GHEDRO CCn1c(Cc2ccc(C#N)cc2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339599570 1059336770 /nfs/dbraw/zinc/33/67/70/1059336770.db2.gz IIHKAXNVCBBFFF-UHFFFAOYSA-N 1 0 392.551 3.524 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc([C@]3(C#N)CC34CCCC4)n2C)C1 ZINC001339933155 1059566739 /nfs/dbraw/zinc/56/67/39/1059566739.db2.gz FXHYYLOSUKQJMB-SELNLUPBSA-N 1 0 396.583 3.631 20 30 GHEDRO [NH3+]Cc1cc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)cc(C(F)(F)F)c1 ZINC001340150766 1059727887 /nfs/dbraw/zinc/72/78/87/1059727887.db2.gz XPTMZOGDCUPLFG-UHFFFAOYSA-N 1 0 398.282 3.875 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001340387347 1059905633 /nfs/dbraw/zinc/90/56/33/1059905633.db2.gz ZYWGRFAERXFWSV-QGZVFWFLSA-N 1 0 384.503 3.557 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nnc1C(C)(C)CC#N ZINC001340427805 1059926443 /nfs/dbraw/zinc/92/64/43/1059926443.db2.gz LHPNWGATXGXJHK-RBUKOAKNSA-N 1 0 384.572 3.746 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340519682 1059960718 /nfs/dbraw/zinc/96/07/18/1059960718.db2.gz IKFJTWUHIVMUTL-IBGZPJMESA-N 1 0 375.561 3.699 20 30 GHEDRO C=CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CC[C@@H](CF)C1 ZINC001340547870 1059971947 /nfs/dbraw/zinc/97/19/47/1059971947.db2.gz RAPAYZBCEQCKHX-IBGZPJMESA-N 1 0 383.515 3.640 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC001450279163 1060568781 /nfs/dbraw/zinc/56/87/81/1060568781.db2.gz XASDRYCJWRNIFN-ROUUACIJSA-N 1 0 375.310 3.647 20 30 GHEDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCNc1ncccc1C#N ZINC001341341218 1060592349 /nfs/dbraw/zinc/59/23/49/1060592349.db2.gz HCJUGCCUGTWVRW-UHFFFAOYSA-N 1 0 388.519 3.697 20 30 GHEDRO C[NH+]1CCC(c2nnc(N3Cc4cccc(C#N)c4C3)n2Cc2ccccc2)CC1 ZINC001341442249 1060684260 /nfs/dbraw/zinc/68/42/60/1060684260.db2.gz ONWRDINUYMVPOW-UHFFFAOYSA-N 1 0 398.514 3.527 20 30 GHEDRO COc1cc(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)ccc1C#N ZINC001450791139 1060692450 /nfs/dbraw/zinc/69/24/50/1060692450.db2.gz DVPZZIPRGKMQHP-NRFANRHFSA-N 1 0 379.504 3.798 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001341901723 1060944612 /nfs/dbraw/zinc/94/46/12/1060944612.db2.gz FACXOEINLYMLRS-MSOLQXFVSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001342039816 1061016268 /nfs/dbraw/zinc/01/62/68/1061016268.db2.gz XVFQLWOSUHVQOO-VQTJNVASSA-N 1 0 384.572 3.820 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@@H+](C(C)C)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001342090174 1061050912 /nfs/dbraw/zinc/05/09/12/1061050912.db2.gz WYVQSWOKCMIACG-JOCHJYFZSA-N 1 0 382.556 3.500 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(CC#N)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001346210553 1061452248 /nfs/dbraw/zinc/45/22/48/1061452248.db2.gz VIKAVOOIBBWUDN-HXUWFJFHSA-N 1 0 392.551 3.755 20 30 GHEDRO O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001454670260 1061906984 /nfs/dbraw/zinc/90/69/84/1061906984.db2.gz SOESOIWSFKNOEM-QKWZMAAQSA-N 1 0 394.490 3.969 20 30 GHEDRO N#CCCCc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC1CC1 ZINC001347822626 1062700889 /nfs/dbraw/zinc/70/08/89/1062700889.db2.gz MQWWSGHYZZZKJO-HXUWFJFHSA-N 1 0 384.572 3.627 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC001457208070 1063027334 /nfs/dbraw/zinc/02/73/34/1063027334.db2.gz RVRINLAKLKMCFT-FFXXTYGZSA-N 1 0 382.479 3.997 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCCc2cccc(Br)c2)c1 ZINC001348951228 1063437302 /nfs/dbraw/zinc/43/73/02/1063437302.db2.gz IOWIZIVKXUMSFV-UHFFFAOYSA-N 1 0 386.293 3.872 20 30 GHEDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1nc(C(C)(C)C)ccc1C#N ZINC001458196348 1063648695 /nfs/dbraw/zinc/64/86/95/1063648695.db2.gz KDQCNMJHZHXGTK-SFHVURJKSA-N 1 0 377.536 3.873 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1CC1CC1 ZINC001350482217 1064101909 /nfs/dbraw/zinc/10/19/09/1064101909.db2.gz OFLJKUHFWUSXMN-WIYYLYMNSA-N 1 0 392.551 3.806 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC001459880772 1064254578 /nfs/dbraw/zinc/25/45/78/1064254578.db2.gz FNOBDDBVIJXUPE-JBACZVJFSA-N 1 0 385.552 3.668 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351271593 1064340567 /nfs/dbraw/zinc/34/05/67/1064340567.db2.gz HSDMCTOEIIXOMY-OALUTQOASA-N 1 0 396.453 3.721 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC001460022064 1064351042 /nfs/dbraw/zinc/35/10/42/1064351042.db2.gz ZJHLTHGGZJCJQT-UWJYYQICSA-N 1 0 392.565 3.562 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C[C@@H]1C(F)(F)F ZINC001351991798 1064750251 /nfs/dbraw/zinc/75/02/51/1064750251.db2.gz WTSQBZHAJMGXJG-OIISXLGYSA-N 1 0 384.398 3.589 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464098698 1064820605 /nfs/dbraw/zinc/82/06/05/1064820605.db2.gz AQWFOSCVUOHJSD-GOSISDBHSA-N 1 0 398.304 3.715 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nc(Cl)sc1Cl ZINC000847352529 1065112689 /nfs/dbraw/zinc/11/26/89/1065112689.db2.gz GYQDJSJUQQCHJY-UHFFFAOYSA-N 1 0 383.304 3.526 20 30 GHEDRO O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001464665189 1065145332 /nfs/dbraw/zinc/14/53/32/1065145332.db2.gz JFDNBVFAMUXTAL-KAMYIIQDSA-N 1 0 394.490 3.575 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH]nc1-c1c(F)cccc1F)C(C)C ZINC001464871621 1065253382 /nfs/dbraw/zinc/25/33/82/1065253382.db2.gz PZBVRYXZWOTHSQ-SFHVURJKSA-N 1 0 388.462 3.783 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001352894567 1065426408 /nfs/dbraw/zinc/42/64/08/1065426408.db2.gz GDXKZGGZFDZLNX-IPMKNSEASA-N 1 0 395.551 3.696 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1 ZINC000847492248 1065442954 /nfs/dbraw/zinc/44/29/54/1065442954.db2.gz DTYOLKRLPDOROW-SFHVURJKSA-N 1 0 386.293 3.548 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001492557584 1065667405 /nfs/dbraw/zinc/66/74/05/1065667405.db2.gz PILCSRZHUPLAMI-PXNSSMCTSA-N 1 0 392.551 3.866 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001465576777 1065724934 /nfs/dbraw/zinc/72/49/34/1065724934.db2.gz LEZKOOLDPKZOSE-NRFANRHFSA-N 1 0 392.503 3.568 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+](CC)C1CC1 ZINC001300287087 1065927179 /nfs/dbraw/zinc/92/71/79/1065927179.db2.gz TYMPAOCPMXIREZ-CQSZACIVSA-N 1 0 389.906 3.680 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300291546 1065937918 /nfs/dbraw/zinc/93/79/18/1065937918.db2.gz TWEQYEPBUFKPDJ-XLIONFOSSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300293054 1065940164 /nfs/dbraw/zinc/94/01/64/1065940164.db2.gz OIXAWSWEBUJBQH-KRWDZBQOSA-N 1 0 383.515 3.807 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300293810 1065943033 /nfs/dbraw/zinc/94/30/33/1065943033.db2.gz SEBKCXWKTJTVSL-RBUKOAKNSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001300302664 1065957028 /nfs/dbraw/zinc/95/70/28/1065957028.db2.gz DJRZBEMGQPVVRF-XUVXKRRUSA-N 1 0 387.572 3.632 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300308389 1065965249 /nfs/dbraw/zinc/96/52/49/1065965249.db2.gz BXYGAQCGLFWAKC-CTNGQTDRSA-N 1 0 379.552 3.599 20 30 GHEDRO CC(=O)Nc1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847745072 1066013340 /nfs/dbraw/zinc/01/33/40/1066013340.db2.gz AONRLBSTDLZPHG-UHFFFAOYSA-N 1 0 391.471 3.608 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001353546326 1066021704 /nfs/dbraw/zinc/02/17/04/1066021704.db2.gz HRRFCKYJQXMILU-GOSISDBHSA-N 1 0 390.531 3.929 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2CCc3ccccc3O2)CC[NH+](Cc2ccccc2)CC1 ZINC000847747248 1066023425 /nfs/dbraw/zinc/02/34/25/1066023425.db2.gz ZXUUIQGPNXVRBP-QFIPXVFZSA-N 1 0 390.483 3.729 20 30 GHEDRO N#CC1(COC(=O)c2cc3nc[nH]c3cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000847746823 1066026755 /nfs/dbraw/zinc/02/67/55/1066026755.db2.gz QXMQYNWRQAGCOW-UHFFFAOYSA-N 1 0 392.434 3.665 20 30 GHEDRO CN(C)c1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000847748514 1066029356 /nfs/dbraw/zinc/02/93/56/1066029356.db2.gz BIPRXCKMBBIYGO-UHFFFAOYSA-N 1 0 395.478 3.854 20 30 GHEDRO COC1CCC(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000847748647 1066029745 /nfs/dbraw/zinc/02/97/45/1066029745.db2.gz FETHMFBNVJEUNH-UHFFFAOYSA-N 1 0 384.520 3.931 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747946 1066033236 /nfs/dbraw/zinc/03/32/36/1066033236.db2.gz UDJOXEWLNDKSTJ-UHFFFAOYSA-N 1 0 377.419 3.660 20 30 GHEDRO CCCn1nc(C)c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000847749692 1066035106 /nfs/dbraw/zinc/03/51/06/1066035106.db2.gz YTGPSIKXPFEUCK-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO N#CC1(COC(=O)c2cnc(C3CC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000847749580 1066035356 /nfs/dbraw/zinc/03/53/56/1066035356.db2.gz VKMSWIAGBPBIQJ-UHFFFAOYSA-N 1 0 381.501 3.983 20 30 GHEDRO CC(C)c1nn(C)cc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847749035 1066038520 /nfs/dbraw/zinc/03/85/20/1066038520.db2.gz MDBWHBVQCMTHSZ-UHFFFAOYSA-N 1 0 380.492 3.506 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC001466754954 1066295930 /nfs/dbraw/zinc/29/59/30/1066295930.db2.gz KAXOJKJOIVNKGZ-MRXNPFEDSA-N 1 0 379.464 3.740 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300439972 1066336935 /nfs/dbraw/zinc/33/69/35/1066336935.db2.gz NVICHRZVJFQCIQ-GOSISDBHSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300440314 1066338598 /nfs/dbraw/zinc/33/85/98/1066338598.db2.gz TZTGYSUSPWKNDF-KRWDZBQOSA-N 1 0 385.943 3.790 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467196121 1067142532 /nfs/dbraw/zinc/14/25/32/1067142532.db2.gz WRRRKVIXKAGRIP-DLBZAZTESA-N 1 0 382.430 3.725 20 30 GHEDRO C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001357799371 1067277367 /nfs/dbraw/zinc/27/73/67/1067277367.db2.gz VDDDSOUFGNDGEY-IBGZPJMESA-N 1 0 387.527 3.933 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NC(C)(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001477650895 1078507797 /nfs/dbraw/zinc/50/77/97/1078507797.db2.gz SPBFRGTWEMXKFH-OAQYLSRUSA-N 1 0 378.520 3.790 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC001467674180 1067411056 /nfs/dbraw/zinc/41/10/56/1067411056.db2.gz FWHGHDSGNMWIHF-JOCHJYFZSA-N 1 0 382.552 3.958 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C#N)cc2OC)ccc1OC ZINC001358313167 1067477438 /nfs/dbraw/zinc/47/74/38/1067477438.db2.gz CHUOLOZDNMGUKM-UHFFFAOYSA-N 1 0 397.475 3.548 20 30 GHEDRO C#CCC1(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCCCC1 ZINC001467864005 1067505216 /nfs/dbraw/zinc/50/52/16/1067505216.db2.gz KHZDMUGEWOSDDT-BGYRXZFFSA-N 1 0 397.563 3.821 20 30 GHEDRO C#CCN(C(=O)NCC1(c2ccccc2C)CCCCC1)C1CC[NH+](C)CC1 ZINC001477729859 1078545267 /nfs/dbraw/zinc/54/52/67/1078545267.db2.gz CQPGVPQCFZZDAZ-UHFFFAOYSA-N 1 0 381.564 3.936 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC1CC[NH+](C2CC2)CC1 ZINC001358882859 1067594236 /nfs/dbraw/zinc/59/42/36/1067594236.db2.gz IYWGPUHFOUNLDT-MRXNPFEDSA-N 1 0 397.954 3.931 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001358893708 1067600550 /nfs/dbraw/zinc/60/05/50/1067600550.db2.gz ZYEDEMCQKSLRLA-GHTZIAJQSA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358950539 1067627739 /nfs/dbraw/zinc/62/77/39/1067627739.db2.gz ONDNRDCSUFJYLW-OAQYLSRUSA-N 1 0 397.542 3.732 20 30 GHEDRO C#CCN(CC#C)c1nnc(C2CCC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358977639 1067633723 /nfs/dbraw/zinc/63/37/23/1067633723.db2.gz RJGAZTQOWSZTGL-LJQANCHMSA-N 1 0 393.560 3.517 20 30 GHEDRO C#CCN(CC#C)c1nnc(C2CCC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001358977741 1067633753 /nfs/dbraw/zinc/63/37/53/1067633753.db2.gz VCLJMECYEQRHCU-LJQANCHMSA-N 1 0 389.547 3.748 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001359072907 1067673337 /nfs/dbraw/zinc/67/33/37/1067673337.db2.gz VGPVCKGJCQUYJE-LAUBAEHRSA-N 1 0 385.581 3.653 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCCC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359112381 1067691380 /nfs/dbraw/zinc/69/13/80/1067691380.db2.gz HYOSFNCITSXNSU-UHFFFAOYSA-N 1 0 389.588 3.573 20 30 GHEDRO C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359154698 1067713671 /nfs/dbraw/zinc/71/36/71/1067713671.db2.gz YPWYSIQSRCWPTE-GOSISDBHSA-N 1 0 377.964 3.828 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001359163652 1067719222 /nfs/dbraw/zinc/71/92/22/1067719222.db2.gz MXUNHXUQGLNJOO-QGZVFWFLSA-N 1 0 382.537 3.794 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001359175358 1067732590 /nfs/dbraw/zinc/73/25/90/1067732590.db2.gz ITORFXOZKROZTP-UHFFFAOYSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001468478841 1067746146 /nfs/dbraw/zinc/74/61/46/1067746146.db2.gz OIBPWPJKCFNFQM-DENIHFKCSA-N 1 0 382.548 3.856 20 30 GHEDRO C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001359200690 1067767418 /nfs/dbraw/zinc/76/74/18/1067767418.db2.gz NNKVRGFPIOFUAD-GOSISDBHSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCCC1(CNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCC1 ZINC001468582335 1067779484 /nfs/dbraw/zinc/77/94/84/1067779484.db2.gz WBSIMNSXJZXOJE-QFIPXVFZSA-N 1 0 398.595 3.801 20 30 GHEDRO C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001468642332 1067802507 /nfs/dbraw/zinc/80/25/07/1067802507.db2.gz UQLBHVWHLVDMDQ-KZNAEPCWSA-N 1 0 394.494 3.890 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000849371089 1067824464 /nfs/dbraw/zinc/82/44/64/1067824464.db2.gz JCRUIFVFVNHHKV-UHFFFAOYSA-N 1 0 391.562 3.623 20 30 GHEDRO C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC[N@H+](C)C1CCCC1 ZINC001359244274 1067857075 /nfs/dbraw/zinc/85/70/75/1067857075.db2.gz XFNJQBHBNWMRPG-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359244980 1067863360 /nfs/dbraw/zinc/86/33/60/1067863360.db2.gz XXEIULZQBZHAIT-HNNXBMFYSA-N 1 0 389.931 3.615 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849485582 1067865020 /nfs/dbraw/zinc/86/50/20/1067865020.db2.gz HACXHLXAUBMCFC-VQTJNVASSA-N 1 0 386.565 3.510 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849586322 1067914370 /nfs/dbraw/zinc/91/43/70/1067914370.db2.gz DHVQEHPNIJYQCV-PKTZIBPZSA-N 1 0 394.563 3.839 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849603552 1067917319 /nfs/dbraw/zinc/91/73/19/1067917319.db2.gz QXTRPFGXKUGIIC-ZLNRFVROSA-N 1 0 394.563 3.538 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCSC[C@H]1C)C(C)C ZINC001359266388 1067929049 /nfs/dbraw/zinc/92/90/49/1067929049.db2.gz ZLZJQDKZNYEHAH-MJGOQNOKSA-N 1 0 389.613 3.796 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359270379 1067936798 /nfs/dbraw/zinc/93/67/98/1067936798.db2.gz MVQNWHPELCPZAP-LJQANCHMSA-N 1 0 392.507 3.723 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359276307 1067945459 /nfs/dbraw/zinc/94/54/59/1067945459.db2.gz YJJJIRDPBQCZFR-AVRDEDQJSA-N 1 0 385.556 3.925 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC001477905722 1078620645 /nfs/dbraw/zinc/62/06/45/1078620645.db2.gz JVLXVNRSQVHZIY-SFHVURJKSA-N 1 0 379.504 3.627 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001477908035 1078623079 /nfs/dbraw/zinc/62/30/79/1078623079.db2.gz BJZSUDDCGPTOLW-ATZDWAIDSA-N 1 0 393.453 3.771 20 30 GHEDRO C=CCn1c(CC2CCCC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001359288893 1067982741 /nfs/dbraw/zinc/98/27/41/1067982741.db2.gz HPGRLHKZRZNGIE-UHFFFAOYSA-N 1 0 379.552 3.909 20 30 GHEDRO C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001359308155 1068023458 /nfs/dbraw/zinc/02/34/58/1068023458.db2.gz FUIFTZZPERUFKH-UHFFFAOYSA-N 1 0 397.567 3.764 20 30 GHEDRO C=C(C)COCCNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001469329155 1068106434 /nfs/dbraw/zinc/10/64/34/1068106434.db2.gz JVJZXWSWQFKVDF-QFIPXVFZSA-N 1 0 399.579 3.911 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359706088 1068147336 /nfs/dbraw/zinc/14/73/36/1068147336.db2.gz SBPQLWLUNNGSFX-SIKLNZKXSA-N 1 0 380.540 3.834 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21)[NH+](C)C ZINC001359766101 1068176411 /nfs/dbraw/zinc/17/64/11/1068176411.db2.gz IBUCPNPOQINXTK-NJYVYQBISA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001360097979 1068355952 /nfs/dbraw/zinc/35/59/52/1068355952.db2.gz FXKHWXIXWZFBMC-FPOVZHCZSA-N 1 0 392.551 3.926 20 30 GHEDRO C=CC1(CC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CCCCC1 ZINC001360213559 1068412593 /nfs/dbraw/zinc/41/25/93/1068412593.db2.gz AHZOHHHOZQIGCN-OAQYLSRUSA-N 1 0 397.563 3.527 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)NCC[NH+]1CCC3(CCCCC3)CC1)C2 ZINC001469943942 1068483992 /nfs/dbraw/zinc/48/39/92/1068483992.db2.gz HLWZVSGSIXFDIH-UHFFFAOYSA-N 1 0 394.563 3.867 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001360468260 1068518253 /nfs/dbraw/zinc/51/82/53/1068518253.db2.gz ZVGYDDZWCOUHJO-YJBOKZPZSA-N 1 0 386.519 3.756 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001460130738 1068800066 /nfs/dbraw/zinc/80/00/66/1068800066.db2.gz JOAMFNWMGZFRTR-YADHBBJMSA-N 1 0 384.545 3.796 20 30 GHEDRO CCc1ccc([C@@H](C#N)N(C)C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001460600790 1069017530 /nfs/dbraw/zinc/01/75/30/1069017530.db2.gz SMZDYUWEKIZXSZ-IJFZUYQYSA-N 1 0 391.515 3.926 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)cc1Cl ZINC001460631581 1069042857 /nfs/dbraw/zinc/04/28/57/1069042857.db2.gz FFLQFHARRLQXCL-HNNXBMFYSA-N 1 0 393.878 3.906 20 30 GHEDRO CCc1ccc([C@H](C#N)NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)cc1 ZINC001460647518 1069054463 /nfs/dbraw/zinc/05/44/63/1069054463.db2.gz RFQFUZLCNBHDJH-QFIPXVFZSA-N 1 0 379.504 3.964 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]1CCCOC1 ZINC001460688269 1069087884 /nfs/dbraw/zinc/08/78/84/1069087884.db2.gz JFNGJZAWVPYJRA-WIYYLYMNSA-N 1 0 394.519 3.699 20 30 GHEDRO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001460858346 1069230475 /nfs/dbraw/zinc/23/04/75/1069230475.db2.gz LBUNVXQQRIAURE-HNNXBMFYSA-N 1 0 394.450 3.614 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001460968351 1069303439 /nfs/dbraw/zinc/30/34/39/1069303439.db2.gz XLUBWTISIMHUCF-HNNXBMFYSA-N 1 0 382.533 3.990 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)NC(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001478765980 1078980016 /nfs/dbraw/zinc/98/00/16/1078980016.db2.gz KCPWYAXZXGEOQU-AVRDEDQJSA-N 1 0 390.531 3.842 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)s2)[NH+](C)C)cc1 ZINC001478771868 1078982888 /nfs/dbraw/zinc/98/28/88/1078982888.db2.gz SUHKNAFWVMDXKN-HXUWFJFHSA-N 1 0 384.549 3.920 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC001478822746 1078995775 /nfs/dbraw/zinc/99/57/75/1078995775.db2.gz CZVJGLVJTRVBRD-OAQYLSRUSA-N 1 0 382.483 3.970 20 30 GHEDRO Cc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C#N)cc1[N+](=O)[O-] ZINC001472655324 1073598448 /nfs/dbraw/zinc/59/84/48/1073598448.db2.gz IJJZSDMYUJFBDM-CALCHBBNSA-N 1 0 394.475 3.996 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ncc(Br)cc1C#N ZINC001472731885 1073640671 /nfs/dbraw/zinc/64/06/71/1073640671.db2.gz COAIXSJFZIKIIA-HUUCEWRRSA-N 1 0 385.309 3.815 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCC2(CCC2)CO1 ZINC001472962322 1073735766 /nfs/dbraw/zinc/73/57/66/1073735766.db2.gz KPIRHDIOBLTZJN-GOSISDBHSA-N 1 0 390.597 3.934 20 30 GHEDRO C#CC[N@@H+](CCCSCCOC)[C@H]1CCOc2ccc(Br)cc21 ZINC001473168282 1073827017 /nfs/dbraw/zinc/82/70/17/1073827017.db2.gz NRAGIEYAYPDRGZ-KRWDZBQOSA-N 1 0 398.366 3.978 20 30 GHEDRO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473197100 1073848647 /nfs/dbraw/zinc/84/86/47/1073848647.db2.gz RMFBYOZITNJMHT-DHIUTWEWSA-N 1 0 391.515 3.573 20 30 GHEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473220392 1073868989 /nfs/dbraw/zinc/86/89/89/1073868989.db2.gz GUHNUEMRLKFDJN-NFBKMPQASA-N 1 0 388.515 3.784 20 30 GHEDRO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)C1 ZINC001473456303 1073973944 /nfs/dbraw/zinc/97/39/44/1073973944.db2.gz ZOVZOBXNBBBFRL-UYAOXDASSA-N 1 0 385.508 3.660 20 30 GHEDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](C[C@@H](O)c2cccc(C#N)c2)[C@H]1C ZINC001473595034 1074039530 /nfs/dbraw/zinc/03/95/30/1074039530.db2.gz MUCBPJCOMJXICI-WOUAJJJCSA-N 1 0 387.524 3.605 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)OCC34CCC4)sc2C1 ZINC001473611773 1074047956 /nfs/dbraw/zinc/04/79/56/1074047956.db2.gz XMZBMOAXVPBNNC-CABCVRRESA-N 1 0 387.549 3.717 20 30 GHEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC001473651516 1074068373 /nfs/dbraw/zinc/06/83/73/1074068373.db2.gz OAZBODIRAUBVBE-QGZVFWFLSA-N 1 0 381.442 3.652 20 30 GHEDRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001473854503 1074177390 /nfs/dbraw/zinc/17/73/90/1074177390.db2.gz FYMASKXFZNWPNI-IBGZPJMESA-N 1 0 393.487 3.686 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001474042617 1074246443 /nfs/dbraw/zinc/24/64/43/1074246443.db2.gz UQCNHNGXBQIPQI-LOSJGSFVSA-N 1 0 392.543 3.858 20 30 GHEDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cccc(OCCCC#N)c2)CCOCC1 ZINC001474189375 1074288178 /nfs/dbraw/zinc/28/81/78/1074288178.db2.gz AFTZQFWYJXKPTF-UHFFFAOYSA-N 1 0 388.508 3.597 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001474239964 1074306132 /nfs/dbraw/zinc/30/61/32/1074306132.db2.gz NLKIYJCZNGQKLK-HNNXBMFYSA-N 1 0 391.920 3.649 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OCC)c2)C1 ZINC001474266184 1074317119 /nfs/dbraw/zinc/31/71/19/1074317119.db2.gz NYZUSUZQJULKJP-QFIPXVFZSA-N 1 0 378.516 3.852 20 30 GHEDRO COc1ccc(C[NH2+]CCc2c(F)cc(O)cc2F)cc1OCCCC#N ZINC001474278973 1074323131 /nfs/dbraw/zinc/32/31/31/1074323131.db2.gz CUPFZSJZDBKPQW-UHFFFAOYSA-N 1 0 376.403 3.694 20 30 GHEDRO CC(C)[C@H](CC[N@H+](C)Cc1cc(C#N)ccc1N(C)C)NC(=O)OC(C)(C)C ZINC001474332186 1074347033 /nfs/dbraw/zinc/34/70/33/1074347033.db2.gz AGYYFSVQNJRZMO-IBGZPJMESA-N 1 0 388.556 3.995 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC001474398254 1074386135 /nfs/dbraw/zinc/38/61/35/1074386135.db2.gz DMKCJLJFCVNJHV-UHFFFAOYSA-N 1 0 385.414 3.588 20 30 GHEDRO C#C[C@H]([NH2+][C@@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C)C1CCOCC1 ZINC001474636088 1074493547 /nfs/dbraw/zinc/49/35/47/1074493547.db2.gz HEFRTHKQUBHVJW-SXLOBPIMSA-N 1 0 378.557 3.963 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC001474721488 1074533205 /nfs/dbraw/zinc/53/32/05/1074533205.db2.gz CAAOJHACICHMCM-GUDVDZBRSA-N 1 0 399.539 3.523 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(CCC#N)cc1)c1ccccc1 ZINC001474933136 1074638766 /nfs/dbraw/zinc/63/87/66/1074638766.db2.gz ZTWOEYQTTJODOK-KRWDZBQOSA-N 1 0 385.533 3.550 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N(C)OC1CCCC1 ZINC001493844057 1079302513 /nfs/dbraw/zinc/30/25/13/1079302513.db2.gz FPLCFUXTESCHFZ-QGZVFWFLSA-N 1 0 394.523 3.611 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001493845309 1079303342 /nfs/dbraw/zinc/30/33/42/1079303342.db2.gz KRFHKHPGAFBTRA-JKSUJKDBSA-N 1 0 386.931 3.821 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001493906339 1079306814 /nfs/dbraw/zinc/30/68/14/1079306814.db2.gz CQQSQTIFQSMJEU-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO CC1CC[NH+](CCCn2c(N3CCC[C@@](C)(C#N)C3)nnc2C(C)(C)C)CC1 ZINC001494066302 1079320704 /nfs/dbraw/zinc/32/07/04/1079320704.db2.gz GXPOKYIPACGPIP-QFIPXVFZSA-N 1 0 386.588 3.828 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001475955569 1075056930 /nfs/dbraw/zinc/05/69/30/1075056930.db2.gz UEOJWILVDPFAAK-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1c1cc[nH+]cc1 ZINC001476211518 1075104204 /nfs/dbraw/zinc/10/42/04/1075104204.db2.gz LNCIBWRQUFLBGA-CYBMUJFWSA-N 1 0 389.381 3.715 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001496122003 1079456773 /nfs/dbraw/zinc/45/67/73/1079456773.db2.gz HFPLSWYQKPZGJT-BZSNNMDCSA-N 1 0 380.540 3.639 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(C)C1 ZINC001496123690 1079457483 /nfs/dbraw/zinc/45/74/83/1079457483.db2.gz QWUMGONZADTHEJ-SFHVURJKSA-N 1 0 378.524 3.703 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001497830872 1079518275 /nfs/dbraw/zinc/51/82/75/1079518275.db2.gz VGJPXJPACGNRSX-QGZVFWFLSA-N 1 0 382.556 3.834 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001497836729 1079519301 /nfs/dbraw/zinc/51/93/01/1079519301.db2.gz RLFRMSHSGZFTSM-MSOLQXFVSA-N 1 0 380.540 3.588 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736789821 600593239 /nfs/dbraw/zinc/59/32/39/600593239.db2.gz RHJAMHULFHBFGP-VGSWGCGISA-N 1 0 377.488 3.848 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736789816 600593271 /nfs/dbraw/zinc/59/32/71/600593271.db2.gz RHJAMHULFHBFGP-JTSKRJEESA-N 1 0 377.488 3.848 20 30 GHEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000819745648 606484623 /nfs/dbraw/zinc/48/46/23/606484623.db2.gz NQVGKXSLMWWNFF-UHFFFAOYSA-N 1 0 396.401 3.528 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826387241 608505712 /nfs/dbraw/zinc/50/57/12/608505712.db2.gz LTIDAESUYUFLQO-HXUWFJFHSA-N 1 0 390.516 3.639 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@H]43)cc2c1Cl ZINC001164448947 719003756 /nfs/dbraw/zinc/00/37/56/719003756.db2.gz KKJSZXMIROCPPG-ZIAGYGMSSA-N 1 0 383.229 3.899 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164627020 719043899 /nfs/dbraw/zinc/04/38/99/719043899.db2.gz UBKFTSKCHURDRN-APWZRJJASA-N 1 0 388.849 3.735 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)cnc1Cl ZINC001164628732 719046322 /nfs/dbraw/zinc/04/63/22/719046322.db2.gz ZNLLLFMDSUHPNJ-PKOBYXMFSA-N 1 0 388.849 3.735 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(c1ccc(C[NH+]3CCCC3)cn1)[C@H]2CC ZINC001164698597 719823272 /nfs/dbraw/zinc/82/32/72/719823272.db2.gz FGDROXYAOPLUCW-REWPJTCUSA-N 1 0 382.552 3.603 20 30 GHEDRO N#Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001164694735 719887283 /nfs/dbraw/zinc/88/72/83/719887283.db2.gz DONIYOIAZRJFCH-UHFFFAOYSA-N 1 0 388.924 3.540 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C#N)cc1Cl)CC2 ZINC001164837053 720663332 /nfs/dbraw/zinc/66/33/32/720663332.db2.gz AYSPGFJUBFUHNS-LJQANCHMSA-N 1 0 396.922 3.867 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164843405 720684224 /nfs/dbraw/zinc/68/42/24/720684224.db2.gz PSONLJBWGOSEQH-HXUWFJFHSA-N 1 0 396.922 3.867 20 30 GHEDRO Cc1cc(C#N)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1C ZINC001164791581 721494209 /nfs/dbraw/zinc/49/42/09/721494209.db2.gz DTKMNXLCAZUSAX-UHFFFAOYSA-N 1 0 375.520 3.846 20 30 GHEDRO N#Cc1cc2c(nc1N1CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C1)CCC2 ZINC001164994057 722208761 /nfs/dbraw/zinc/20/87/61/722208761.db2.gz FAGQGYVYPRHGMM-HSZRJFAPSA-N 1 0 376.479 3.826 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(O)cc(C(F)(F)F)c3)C2=O)cc1 ZINC000580604162 837385339 /nfs/dbraw/zinc/38/53/39/837385339.db2.gz MWRRGWKDSSSBFP-SFHVURJKSA-N 1 0 389.377 3.568 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000610276351 837490876 /nfs/dbraw/zinc/49/08/76/837490876.db2.gz OVKVRTCHIPYMRN-QGZVFWFLSA-N 1 0 392.453 3.783 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000176718101 837512849 /nfs/dbraw/zinc/51/28/49/837512849.db2.gz DGZUZKNRJUIBEQ-MBSDFSHPSA-N 1 0 391.515 3.794 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CCCCC1 ZINC000177995374 837532945 /nfs/dbraw/zinc/53/29/45/837532945.db2.gz RIEPRGIERDVWEG-SFTDATJTSA-N 1 0 383.536 3.697 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)N2CCCCCC2)ccc1OC ZINC000180809725 837585356 /nfs/dbraw/zinc/58/53/56/837585356.db2.gz FHEFHMJIQMMSLK-MJGOQNOKSA-N 1 0 387.524 3.647 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000176949699 837614206 /nfs/dbraw/zinc/61/42/06/837614206.db2.gz QWPOQTWTLXPQHJ-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000177041435 837728213 /nfs/dbraw/zinc/72/82/13/837728213.db2.gz XVAMOOWTBKESBR-QHCPKHFHSA-N 1 0 391.515 3.616 20 30 GHEDRO CCc1ccc([C@@H]2CCCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)cc1 ZINC000329282779 834737558 /nfs/dbraw/zinc/73/75/58/834737558.db2.gz NARMAXIMXKAEHI-MZYLBHOOSA-N 1 0 399.579 3.720 20 30 GHEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177166090 837806571 /nfs/dbraw/zinc/80/65/71/837806571.db2.gz ZNQSJEAYEKPMPC-KRWDZBQOSA-N 1 0 380.454 3.931 20 30 GHEDRO COc1c(Cl)cc(Cl)cc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179509 834798462 /nfs/dbraw/zinc/79/84/62/834798462.db2.gz OQLRHDAEDUJPOH-HNNXBMFYSA-N 1 0 378.259 3.922 20 30 GHEDRO CCCCOc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000430180775 834816014 /nfs/dbraw/zinc/81/60/14/834816014.db2.gz UCRATFQVUCIHHH-LJQANCHMSA-N 1 0 381.476 3.794 20 30 GHEDRO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C2CC2)cc1 ZINC000329387736 834950335 /nfs/dbraw/zinc/95/03/35/834950335.db2.gz SYXDCZGVBMNOGC-UNMCSNQZSA-N 1 0 383.536 3.737 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000728190009 834954864 /nfs/dbraw/zinc/95/48/64/834954864.db2.gz YLJDROOMHUABGW-HSZRJFAPSA-N 1 0 394.563 3.688 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN[C@@H](C[NH+]3CCCCC3)c3ccccc3)o2)c1 ZINC000611934835 835073399 /nfs/dbraw/zinc/07/33/99/835073399.db2.gz AWABZBHBFDOHLR-NRFANRHFSA-N 1 0 387.487 3.925 20 30 GHEDRO Cc1oc(NC(=O)CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(C#N)c1C ZINC000611938092 835084501 /nfs/dbraw/zinc/08/45/01/835084501.db2.gz IJCJKYKTTKKTGW-FQEVSTJZSA-N 1 0 380.492 3.523 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000433342296 844028832 /nfs/dbraw/zinc/02/88/32/844028832.db2.gz IXUBISFWFUCRLW-WOJBJXKFSA-N 1 0 381.545 3.849 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(Oc3ccc(F)cc3)n2)CC1 ZINC000650851832 835216413 /nfs/dbraw/zinc/21/64/13/835216413.db2.gz GNBCSNHMIGZARN-UHFFFAOYSA-N 1 0 398.482 3.853 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@](C)(CO)C(C)C)cc1OCC ZINC000685629582 835238144 /nfs/dbraw/zinc/23/81/44/835238144.db2.gz BQWMERLCTMIZGP-GOSISDBHSA-N 1 0 386.330 3.909 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000274787885 835271054 /nfs/dbraw/zinc/27/10/54/835271054.db2.gz BKMCMHZASLXACP-DYESRHJHSA-N 1 0 387.487 3.608 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1Cl ZINC000433350687 844036657 /nfs/dbraw/zinc/03/66/57/844036657.db2.gz GNTDFBJEACXICT-KRWDZBQOSA-N 1 0 385.895 3.991 20 30 GHEDRO C=CCn1c(COc2ccccc2F)nnc1SCC[NH+]1CCCCC1 ZINC000248007032 835367035 /nfs/dbraw/zinc/36/70/35/835367035.db2.gz PRYXRPNYMREHMV-UHFFFAOYSA-N 1 0 376.501 3.760 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000610231514 835457927 /nfs/dbraw/zinc/45/79/27/835457927.db2.gz POVCHDXEKHQTCC-QGZVFWFLSA-N 1 0 388.471 3.935 20 30 GHEDRO C=CCn1c(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1C1CC1 ZINC000278582532 835472830 /nfs/dbraw/zinc/47/28/30/835472830.db2.gz OWFVCVPQRLZYJX-IBGZPJMESA-N 1 0 384.549 3.725 20 30 GHEDRO C=CCCC1(CNC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCCC1 ZINC000658298014 835561585 /nfs/dbraw/zinc/56/15/85/835561585.db2.gz VGIRLAAIOJQJGS-FQEVSTJZSA-N 1 0 383.536 3.817 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3OC(C)=O)n2)cc1 ZINC001211728878 844069041 /nfs/dbraw/zinc/06/90/41/844069041.db2.gz OXFOTOBPILQLIL-RTBURBONSA-N 1 0 387.480 3.704 20 30 GHEDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccco1 ZINC000278660740 835733127 /nfs/dbraw/zinc/73/31/27/835733127.db2.gz NERBIMHKABCOHB-FQEVSTJZSA-N 1 0 392.507 3.624 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000120561704 835739698 /nfs/dbraw/zinc/73/96/98/835739698.db2.gz SUMCQOHDRRRXGJ-JOCHJYFZSA-N 1 0 384.483 3.901 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000432874948 844083695 /nfs/dbraw/zinc/08/36/95/844083695.db2.gz CUGJJGJPVGVRNY-ZIAGYGMSSA-N 1 0 383.414 3.804 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278683048 835780915 /nfs/dbraw/zinc/78/09/15/835780915.db2.gz PESDQOYWOKSZNI-OALUTQOASA-N 1 0 394.567 3.705 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000612177495 835795511 /nfs/dbraw/zinc/79/55/11/835795511.db2.gz IMQCVSDTBRLVDA-NNXSRULWSA-N 1 0 380.536 3.622 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCc1cn2c(n1)SCC2)c1ccc(Cl)cc1Cl ZINC000262376524 835823871 /nfs/dbraw/zinc/82/38/71/835823871.db2.gz JQMMHNXTJXVESZ-SNVBAGLBSA-N 1 0 384.336 3.504 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C[NH+]1CCCCC1 ZINC000102751832 835872145 /nfs/dbraw/zinc/87/21/45/835872145.db2.gz IJDALMKERBWDLH-QGZVFWFLSA-N 1 0 381.476 3.582 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000179627436 835912094 /nfs/dbraw/zinc/91/20/94/835912094.db2.gz GTFBSCLJMIAKLD-KRWDZBQOSA-N 1 0 381.476 3.837 20 30 GHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COc1ccccc1Cl ZINC000512540636 844111044 /nfs/dbraw/zinc/11/10/44/844111044.db2.gz ABJJXXAOIQBGDJ-GOSISDBHSA-N 1 0 377.916 3.935 20 30 GHEDRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000093083983 844114171 /nfs/dbraw/zinc/11/41/71/844114171.db2.gz CSWDXAGSNLPFTA-UHFFFAOYSA-N 1 0 378.520 3.760 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000535628170 836030096 /nfs/dbraw/zinc/03/00/96/836030096.db2.gz FUXWXIBBYJQRHJ-AWEZNQCLSA-N 1 0 385.533 3.994 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)[C@H](c1ccccc1)N1CCOCC1 ZINC000480622272 836042243 /nfs/dbraw/zinc/04/22/43/836042243.db2.gz LMTPRZNMTFIXRI-WMZHIEFXSA-N 1 0 395.572 3.843 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000612314685 836043835 /nfs/dbraw/zinc/04/38/35/836043835.db2.gz YSOCBDCDIKRJNP-UHFFFAOYSA-N 1 0 395.469 3.820 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000048198410 836060998 /nfs/dbraw/zinc/06/09/98/836060998.db2.gz DLUUNOYPCKDQOE-UHFFFAOYSA-N 1 0 379.529 3.704 20 30 GHEDRO C[C@@]1(C#N)CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000612365299 836121205 /nfs/dbraw/zinc/12/12/05/836121205.db2.gz HIINJDCRFMQVCG-OALUTQOASA-N 1 0 379.426 3.593 20 30 GHEDRO C[NH+]1CCC(C2CCN(Cc3cc(Br)ccc3C#N)CC2)CC1 ZINC001141902997 861190498 /nfs/dbraw/zinc/19/04/98/861190498.db2.gz MEFJHMWGHXLZDB-UHFFFAOYSA-N 1 0 376.342 3.875 20 30 GHEDRO CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579883894 836238932 /nfs/dbraw/zinc/23/89/32/836238932.db2.gz CDKDXORYNABRIQ-NRFANRHFSA-N 1 0 379.479 3.708 20 30 GHEDRO C[C@@H](SCc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930434 836254089 /nfs/dbraw/zinc/25/40/89/836254089.db2.gz MOCVRKODVKIIGD-GOSISDBHSA-N 1 0 381.545 3.770 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1 ZINC000613389146 836254480 /nfs/dbraw/zinc/25/44/80/836254480.db2.gz JJNPAFZSSAGPHG-QTEQDKRBSA-N 1 0 393.531 3.693 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000290187964 836309846 /nfs/dbraw/zinc/30/98/46/836309846.db2.gz ROVUEEWCZLPNFI-QFIPXVFZSA-N 1 0 375.472 3.571 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc1 ZINC000092667517 844149863 /nfs/dbraw/zinc/14/98/63/844149863.db2.gz OMGIMEKNOYJLFI-UHFFFAOYSA-N 1 0 394.515 3.788 20 30 GHEDRO COc1ccc([C@@H](CNc2nc(C(C)(C)C)ccc2C#N)[NH+](C)C)cc1OC ZINC000613409096 836326777 /nfs/dbraw/zinc/32/67/77/836326777.db2.gz ILYGEUVLROXIAU-QGZVFWFLSA-N 1 0 382.508 3.983 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174099217 836391645 /nfs/dbraw/zinc/39/16/45/836391645.db2.gz JWDFLHKKBPUHFC-UHFFFAOYSA-N 1 0 391.397 3.568 20 30 GHEDRO O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328635357 836513796 /nfs/dbraw/zinc/51/37/96/836513796.db2.gz CBGFJUYLXUWBJU-LZLYRXPVSA-N 1 0 393.915 3.851 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549732015 844189722 /nfs/dbraw/zinc/18/97/22/844189722.db2.gz XDQWVCMHOZPIGU-UHFFFAOYSA-N 1 0 383.540 3.580 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cccc(C#N)c2C)cc1OC ZINC000513059362 844193181 /nfs/dbraw/zinc/19/31/81/844193181.db2.gz SCLKKNCZZYKCBQ-UHFFFAOYSA-N 1 0 395.503 3.526 20 30 GHEDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000537951609 836758450 /nfs/dbraw/zinc/75/84/50/836758450.db2.gz UYNHZWMMGPXEQO-UHLUBPPHSA-N 1 0 379.272 3.853 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000376365027 836763987 /nfs/dbraw/zinc/76/39/87/836763987.db2.gz DYSAWEUVAZFVMB-DLBZAZTESA-N 1 0 375.538 3.625 20 30 GHEDRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCCC1)C(=O)N(C)CCC#N ZINC000433451323 844200143 /nfs/dbraw/zinc/20/01/43/844200143.db2.gz BQFNONXSJVQAQW-HNNXBMFYSA-N 1 0 392.341 3.611 20 30 GHEDRO COC(=O)C[C@H]1CSCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472567759 836789764 /nfs/dbraw/zinc/78/97/64/836789764.db2.gz SRWNCMOGHVXCPJ-NRFANRHFSA-N 1 0 394.540 3.867 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000066175032 836906844 /nfs/dbraw/zinc/90/68/44/836906844.db2.gz ICOHELRIMNAVMC-QFIPXVFZSA-N 1 0 376.504 3.753 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(CNc2ccc(C#N)cc2)n1 ZINC000612882770 836922469 /nfs/dbraw/zinc/92/24/69/836922469.db2.gz LLPCOKBNFZQODS-UHFFFAOYSA-N 1 0 391.475 3.941 20 30 GHEDRO N#CC[C@@H](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000376135037 836990626 /nfs/dbraw/zinc/99/06/26/836990626.db2.gz QUNYYOJSEWKQIR-QFIPXVFZSA-N 1 0 375.516 3.897 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1cccc(C)c1 ZINC000027325610 837043388 /nfs/dbraw/zinc/04/33/88/837043388.db2.gz RYILYENEFVXUFB-UHFFFAOYSA-O 1 0 386.541 3.759 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(CC)cc1 ZINC000027326577 837043532 /nfs/dbraw/zinc/04/35/32/837043532.db2.gz XVCUDLCURUMWAK-UHFFFAOYSA-O 1 0 386.497 3.773 20 30 GHEDRO COC(=O)CCc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000180320566 837085996 /nfs/dbraw/zinc/08/59/96/837085996.db2.gz PWRIZYMVIKMYPE-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247198011 837206815 /nfs/dbraw/zinc/20/68/15/837206815.db2.gz VYNACPMFEXFNIN-RXVVDRJESA-N 1 0 397.544 3.540 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247197998 837206934 /nfs/dbraw/zinc/20/69/34/837206934.db2.gz VYNACPMFEXFNIN-GHTZIAJQSA-N 1 0 397.544 3.540 20 30 GHEDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2 ZINC000180448661 837266951 /nfs/dbraw/zinc/26/69/51/837266951.db2.gz COXMYPWPRFVTOT-NRFANRHFSA-N 1 0 388.471 3.971 20 30 GHEDRO Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c(C#N)c1C ZINC000177263212 837899551 /nfs/dbraw/zinc/89/95/51/837899551.db2.gz NKJQIGPFSSRXAL-GOSISDBHSA-N 1 0 382.533 3.776 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2ccccc2Cl)s1)C1N=CC=CC1=O ZINC000255113582 837953193 /nfs/dbraw/zinc/95/31/93/837953193.db2.gz UZRUWSBNGOQMKG-VHEBQXMUSA-N 1 0 387.892 3.685 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000177565830 837970588 /nfs/dbraw/zinc/97/05/88/837970588.db2.gz ZPPZDDIGHYMYSG-RTWAWAEBSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c(C#N)cc1N(C)C ZINC000415692260 837986355 /nfs/dbraw/zinc/98/63/55/837986355.db2.gz MEDDWFPAWDEDMH-UHFFFAOYSA-N 1 0 394.544 3.734 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000728715201 838016142 /nfs/dbraw/zinc/01/61/42/838016142.db2.gz PETYDYNZNMEUDV-ZWKOTPCHSA-N 1 0 392.503 3.694 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2CC[NH+](C)C)cc1C#N ZINC000275623578 838056508 /nfs/dbraw/zinc/05/65/08/838056508.db2.gz JVYPFQAFKWGNBI-UHFFFAOYSA-N 1 0 395.463 3.875 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)c2cc3ccccc3n2CC#N)[NH+]2CCCC2)o1 ZINC000609169319 838213301 /nfs/dbraw/zinc/21/33/01/838213301.db2.gz ASYOKTVVVSLDOG-FQEVSTJZSA-N 1 0 376.460 3.633 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc(C)cc(C)c1 ZINC000189625513 838331268 /nfs/dbraw/zinc/33/12/68/838331268.db2.gz RYPITFAVCPVFSD-QHCPKHFHSA-N 1 0 391.515 3.643 20 30 GHEDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728268359 838343083 /nfs/dbraw/zinc/34/30/83/838343083.db2.gz YGZOZJHBWKBYDZ-WMZOPIPTSA-N 1 0 378.520 3.816 20 30 GHEDRO CCCC[N@H+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001167329699 838421336 /nfs/dbraw/zinc/42/13/36/838421336.db2.gz HWFALFNXTRVRLE-OAHLLOKOSA-N 1 0 377.554 3.822 20 30 GHEDRO C[C@@H](CN1CCOCC1)[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC001167330181 838431272 /nfs/dbraw/zinc/43/12/72/838431272.db2.gz XGCBSFNPEAMZHR-FQEVSTJZSA-N 1 0 382.935 3.914 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000162307494 838434277 /nfs/dbraw/zinc/43/42/77/838434277.db2.gz QKWFHOPLCYEMKN-FOIQADDNSA-N 1 0 379.508 3.664 20 30 GHEDRO N#Cc1ccncc1N1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000580027083 838446413 /nfs/dbraw/zinc/44/64/13/838446413.db2.gz LUEMTOMDQAWJIV-IWQZZHSRSA-N 1 0 397.320 3.941 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000481097459 838520369 /nfs/dbraw/zinc/52/03/69/838520369.db2.gz YFYUIUJSSMAVPY-KXBFYZLASA-N 1 0 388.556 3.756 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000610341119 838562748 /nfs/dbraw/zinc/56/27/48/838562748.db2.gz BAQOOUFHNPUGGH-ROUUACIJSA-N 1 0 395.503 3.998 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610346599 838586321 /nfs/dbraw/zinc/58/63/21/838586321.db2.gz YHPMKJTVTGMXJX-IAGOWNOFSA-N 1 0 376.460 3.553 20 30 GHEDRO C=CCc1cc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000416146589 838623468 /nfs/dbraw/zinc/62/34/68/838623468.db2.gz VCCLLTYAMRYZBS-FQEVSTJZSA-N 1 0 382.504 3.742 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000414593692 838653399 /nfs/dbraw/zinc/65/33/99/838653399.db2.gz RBONSUKMLCRSQM-IBGZPJMESA-N 1 0 383.467 3.885 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000190038946 838686308 /nfs/dbraw/zinc/68/63/08/838686308.db2.gz OGKJJPUTHFAIQH-UHFFFAOYSA-N 1 0 385.467 3.922 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccc(Br)cc1)C(C)C ZINC000531841367 844356801 /nfs/dbraw/zinc/35/68/01/844356801.db2.gz JRCCRWAZKZGOAZ-HNNXBMFYSA-N 1 0 380.330 3.668 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000610366864 838717530 /nfs/dbraw/zinc/71/75/30/838717530.db2.gz PTKZGRYGRBHNCY-IBGZPJMESA-N 1 0 379.508 3.853 20 30 GHEDRO CC(C)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000083247369 838772337 /nfs/dbraw/zinc/77/23/37/838772337.db2.gz RGGUFWCFMBKCMZ-OAHLLOKOSA-N 1 0 375.538 3.574 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000416242865 838799591 /nfs/dbraw/zinc/79/95/91/838799591.db2.gz NVTXUOIDLDINGD-OAQYLSRUSA-N 1 0 395.478 3.760 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000579449289 838836399 /nfs/dbraw/zinc/83/63/99/838836399.db2.gz GRROLVPYMHPLIW-QHCPKHFHSA-N 1 0 392.503 3.957 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376940556 838848152 /nfs/dbraw/zinc/84/81/52/838848152.db2.gz UYBFZEMUZDIZTH-PKOBYXMFSA-N 1 0 376.504 3.879 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000049981908 838967264 /nfs/dbraw/zinc/96/72/64/838967264.db2.gz RDKDVFBGLBIIAY-UHFFFAOYSA-N 1 0 396.579 3.748 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnc(CC(F)(F)F)s3)CC2)nc1 ZINC000893219359 839004544 /nfs/dbraw/zinc/00/45/44/839004544.db2.gz GCANVZGTUROPSF-UHFFFAOYSA-N 1 0 396.438 3.994 20 30 GHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc21 ZINC000610397102 839028655 /nfs/dbraw/zinc/02/86/55/839028655.db2.gz IRBRZUHPTHOZQX-UHFFFAOYSA-N 1 0 385.471 3.933 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000610400165 839061602 /nfs/dbraw/zinc/06/16/02/839061602.db2.gz FYFHHKWSGBWKGA-UWJYYQICSA-N 1 0 392.503 3.764 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1 ZINC000066785679 839167592 /nfs/dbraw/zinc/16/75/92/839167592.db2.gz BFHFSYHMFUIZQK-UHFFFAOYSA-N 1 0 376.460 3.625 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000472744823 839358156 /nfs/dbraw/zinc/35/81/56/839358156.db2.gz CIYMBSJSVNFSGS-HXUWFJFHSA-N 1 0 377.488 3.937 20 30 GHEDRO C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001167387466 839424176 /nfs/dbraw/zinc/42/41/76/839424176.db2.gz STRLVCLQYMACEF-QUCCMNQESA-N 1 0 386.536 3.742 20 30 GHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H]1C[NH3+] ZINC000415239451 839456543 /nfs/dbraw/zinc/45/65/43/839456543.db2.gz OLOLDDMSOVSVHU-ZBFHGGJFSA-N 1 0 382.439 3.938 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549256921 839616932 /nfs/dbraw/zinc/61/69/32/839616932.db2.gz QDUPSYCGIMVJTO-HXUWFJFHSA-N 1 0 397.567 3.910 20 30 GHEDRO CC[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000415403813 839724378 /nfs/dbraw/zinc/72/43/78/839724378.db2.gz SJYNSHNYSDYFAF-OAQYLSRUSA-N 1 0 379.479 3.994 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2cc(F)c(C#N)cc2I)c1 ZINC001211141011 839726509 /nfs/dbraw/zinc/72/65/09/839726509.db2.gz SSKLFNWNVMPQGK-UHFFFAOYSA-N 1 0 381.192 3.765 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000590260717 839776408 /nfs/dbraw/zinc/77/64/08/839776408.db2.gz TXBOGXAHXSMWQV-QAPCUYQASA-N 1 0 379.426 3.898 20 30 GHEDRO N#CCCC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000580733252 840080972 /nfs/dbraw/zinc/08/09/72/840080972.db2.gz RIOUKAWWYZCRSK-FGZHOGPDSA-N 1 0 376.504 3.845 20 30 GHEDRO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728306934 840167589 /nfs/dbraw/zinc/16/75/89/840167589.db2.gz BWVIPGVCIVDXNW-KRWDZBQOSA-N 1 0 378.520 3.960 20 30 GHEDRO C=C(C)COCC[NH2+][C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180946764 844517751 /nfs/dbraw/zinc/51/77/51/844517751.db2.gz BTRYFTVMAZBXSI-QFIPXVFZSA-N 1 0 387.545 3.924 20 30 GHEDRO Cn1cc(C#N)cc1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000175870159 840251125 /nfs/dbraw/zinc/25/11/25/840251125.db2.gz AGGDFQOWZOONNS-UHFFFAOYSA-N 1 0 393.318 3.798 20 30 GHEDRO O=C(NCC[NH2+]Cc1c(Cl)cccc1Oc1ccccc1)C1N=CC=CC1=O ZINC000588395063 840448986 /nfs/dbraw/zinc/44/89/86/840448986.db2.gz BSLAMBBNRFCISV-QZQOTICOSA-N 1 0 397.862 3.748 20 30 GHEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000511685220 840519202 /nfs/dbraw/zinc/51/92/02/840519202.db2.gz XKLLRSHCNDAREZ-RLIJTASWSA-N 1 0 399.560 3.572 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000064613636 840670540 /nfs/dbraw/zinc/67/05/40/840670540.db2.gz ZWKOFAXGRQNEMI-MRXNPFEDSA-N 1 0 382.460 4.000 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](CO)CC(C)C)cc1OC ZINC000584746393 840735476 /nfs/dbraw/zinc/73/54/76/840735476.db2.gz GXXZFOPDHVSTFY-OAHLLOKOSA-N 1 0 386.330 3.861 20 30 GHEDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417371288 840786820 /nfs/dbraw/zinc/78/68/20/840786820.db2.gz UHZMCAYPUWVXEX-QRWLVFNGSA-N 1 0 383.517 3.551 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000581173716 840820061 /nfs/dbraw/zinc/82/00/61/840820061.db2.gz YNKHUICLYOQJGE-UHFFFAOYSA-N 1 0 376.508 3.600 20 30 GHEDRO CC(=O)c1c(C)[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C(C)C ZINC000124232392 840834767 /nfs/dbraw/zinc/83/47/67/840834767.db2.gz CCDDXJCFMLIVKD-UHFFFAOYSA-N 1 0 394.519 3.725 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000581239758 840924012 /nfs/dbraw/zinc/92/40/12/840924012.db2.gz LDPAXGLKJSCSJU-ZWKOTPCHSA-N 1 0 391.393 3.959 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000581239756 840924248 /nfs/dbraw/zinc/92/42/48/840924248.db2.gz LDPAXGLKJSCSJU-QZTJIDSGSA-N 1 0 391.393 3.959 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NC[C@H]2CCOC2)c1 ZINC000136501200 840948908 /nfs/dbraw/zinc/94/89/08/840948908.db2.gz KBNIXBMJUIEYON-CYBMUJFWSA-O 1 0 395.957 3.562 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000933129969 841021030 /nfs/dbraw/zinc/02/10/30/841021030.db2.gz OQWKGVYUJXQJOO-QGZVFWFLSA-N 1 0 377.517 3.788 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000157046703 841046266 /nfs/dbraw/zinc/04/62/66/841046266.db2.gz ZTNIJBLXCSPEQQ-APWZRJJASA-N 1 0 382.533 3.543 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000176152692 844605238 /nfs/dbraw/zinc/60/52/38/844605238.db2.gz YFSNLRUSTMCHSC-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000584869182 841126587 /nfs/dbraw/zinc/12/65/87/841126587.db2.gz UUSHKCZUQNEBLL-KRWDZBQOSA-N 1 0 385.261 3.869 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478199 841145366 /nfs/dbraw/zinc/14/53/66/841145366.db2.gz VHRKXZOQUVJDAY-ORYQWCPZSA-N 1 0 393.522 3.891 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000162471687 841189451 /nfs/dbraw/zinc/18/94/51/841189451.db2.gz UWDOCXOBRIXNPN-QUCCMNQESA-N 1 0 388.556 3.756 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](C)C2)c1C#N ZINC000123033463 841275500 /nfs/dbraw/zinc/27/55/00/841275500.db2.gz WOCGEZGRWHHFAW-JKSUJKDBSA-N 1 0 382.508 3.924 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1O ZINC000092567622 841333570 /nfs/dbraw/zinc/33/35/70/841333570.db2.gz FOKGATQEMYWOJO-UHFFFAOYSA-N 1 0 375.266 3.675 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510424356 841359760 /nfs/dbraw/zinc/35/97/60/841359760.db2.gz KFXSASFKJGKCTG-HKUYNNGSSA-N 1 0 394.544 3.948 20 30 GHEDRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000417984763 841361643 /nfs/dbraw/zinc/36/16/43/841361643.db2.gz DPGFUVFNQAPSBP-HKUYNNGSSA-N 1 0 376.504 3.927 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000500064519 841363964 /nfs/dbraw/zinc/36/39/64/841363964.db2.gz PDVQWHLCZLHAGX-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000661117541 841420993 /nfs/dbraw/zinc/42/09/93/841420993.db2.gz RSQOGGOGTIPLBN-GOEBONIOSA-N 1 0 387.480 3.987 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000893439446 841556353 /nfs/dbraw/zinc/55/63/53/841556353.db2.gz GNHYIYNTAZOZMV-OXJNMPFZSA-N 1 0 382.533 3.672 20 30 GHEDRO COC(=O)c1cnc(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)s1 ZINC000600191909 861222142 /nfs/dbraw/zinc/22/21/42/861222142.db2.gz XYVHWOJDNOLOEE-UHFFFAOYSA-N 1 0 399.516 3.992 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1cc(F)ccc1F ZINC000123251850 841704276 /nfs/dbraw/zinc/70/42/76/841704276.db2.gz ACMZIHYSXIQEQS-UHFFFAOYSA-N 1 0 385.458 3.750 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000157832783 841832926 /nfs/dbraw/zinc/83/29/26/841832926.db2.gz WFHQXIKUAGHGTI-RHSMWYFYSA-N 1 0 390.434 3.640 20 30 GHEDRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329289712 861249184 /nfs/dbraw/zinc/24/91/84/861249184.db2.gz MZPKDXTYPDGBLC-GOSISDBHSA-N 1 0 385.508 3.876 20 30 GHEDRO O=C(NCc1cccc(-n2ccnc2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000329289657 861249276 /nfs/dbraw/zinc/24/92/76/861249276.db2.gz AFHWVCWDGLNFSQ-OAQYLSRUSA-N 1 0 395.551 3.874 20 30 GHEDRO COc1cc(OC)cc(N2CCC[N@H+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000477300609 841973452 /nfs/dbraw/zinc/97/34/52/841973452.db2.gz YIUIDWNRXUNZCP-UHFFFAOYSA-N 1 0 395.503 3.557 20 30 GHEDRO COc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+](C)C)cc1OC ZINC000255358139 841978502 /nfs/dbraw/zinc/97/85/02/841978502.db2.gz ILZFZOKDBZFOSY-AYBNGVQBSA-N 1 0 379.460 3.679 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661666927 842008289 /nfs/dbraw/zinc/00/82/89/842008289.db2.gz IAGPOGACECEGIE-UHFFFAOYSA-N 1 0 384.549 3.753 20 30 GHEDRO Cn1cc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c(-c2ccc(C#N)cc2)n1 ZINC000185745112 861274645 /nfs/dbraw/zinc/27/46/45/861274645.db2.gz ALQWQKQZKBPQOA-UHFFFAOYSA-N 1 0 387.462 3.922 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1OCC ZINC000432354910 842156526 /nfs/dbraw/zinc/15/65/26/842156526.db2.gz AYLJZKOZEKMTJA-BBRMVZONSA-N 1 0 384.314 3.927 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418578053 842228208 /nfs/dbraw/zinc/22/82/08/842228208.db2.gz IVGXGVBJWLXCAE-RTWAWAEBSA-N 1 0 380.467 3.679 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CCCC1 ZINC000661851922 842235855 /nfs/dbraw/zinc/23/58/55/842235855.db2.gz XVCFARGDDZJYTB-LJQANCHMSA-N 1 0 384.520 3.990 20 30 GHEDRO CC1(C)CC(NC(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)CC(C)(C)[NH2+]1 ZINC000329335433 861297345 /nfs/dbraw/zinc/29/73/45/861297345.db2.gz LFOPCZRHFGXTAH-QGZVFWFLSA-N 1 0 396.539 3.832 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNc2nc3c(cc2C#N)CCC3)cc1OC ZINC000603867560 861295817 /nfs/dbraw/zinc/29/58/17/861295817.db2.gz ATOSMKGPBJQMHT-UHFFFAOYSA-N 1 0 394.519 3.783 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(F)c(C(F)(F)F)c3)CC2)nc1 ZINC000161912003 861298122 /nfs/dbraw/zinc/29/81/22/861298122.db2.gz MKLRUMSXGURIPP-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO C[N@H+](CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)Cc1ccc(F)cc1 ZINC000175952785 842441002 /nfs/dbraw/zinc/44/10/02/842441002.db2.gz JSWCFFAMIPHVHH-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO CCc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(-c2ccccn2)n1 ZINC000161941646 861320647 /nfs/dbraw/zinc/32/06/47/861320647.db2.gz FRDGDUWPFPMSFP-UHFFFAOYSA-N 1 0 386.503 3.541 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000598865951 842574436 /nfs/dbraw/zinc/57/44/36/842574436.db2.gz GIAISDADQMQDET-UHFFFAOYSA-N 1 0 377.916 3.725 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000329369397 861336561 /nfs/dbraw/zinc/33/65/61/861336561.db2.gz IFNPNAKHXZQOHZ-HBMCJLEFSA-N 1 0 389.515 3.645 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000652562340 842742878 /nfs/dbraw/zinc/74/28/78/842742878.db2.gz YMQGOYNDAJFCTH-YOUFYPILSA-N 1 0 395.551 3.803 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599573375 861350948 /nfs/dbraw/zinc/35/09/48/861350948.db2.gz GCRNPFXCSWTYJI-HTAPYJJXSA-N 1 0 392.503 3.856 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+](C)C ZINC000510510899 842885971 /nfs/dbraw/zinc/88/59/71/842885971.db2.gz JLZIDKKBTUQZCJ-IERDGZPVSA-N 1 0 379.479 3.845 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CSCc1ccc(C#N)cc1)[NH+](C)C ZINC000510525091 842898308 /nfs/dbraw/zinc/89/83/08/842898308.db2.gz PCOKVSUYFLGVQO-HTAPYJJXSA-N 1 0 381.545 3.908 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1c1ccc(CC)o1)C(C)C ZINC000605956742 843047616 /nfs/dbraw/zinc/04/76/16/843047616.db2.gz FDSVVZHQQZSEQU-WOJBJXKFSA-N 1 0 389.540 3.624 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCCN(c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000279416882 843048971 /nfs/dbraw/zinc/04/89/71/843048971.db2.gz OPEYOSJQYNYZAJ-UHFFFAOYSA-N 1 0 386.503 3.571 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024665442 843056054 /nfs/dbraw/zinc/05/60/54/843056054.db2.gz RCWCLVXJULYSKO-OAHLLOKOSA-N 1 0 380.473 3.969 20 30 GHEDRO O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC000329405452 861378760 /nfs/dbraw/zinc/37/87/60/861378760.db2.gz ZERFXZZJWUUUFR-HNNXBMFYSA-N 1 0 384.484 3.828 20 30 GHEDRO CN(C(=O)[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1)c1ccccc1 ZINC000430868488 843100214 /nfs/dbraw/zinc/10/02/14/843100214.db2.gz NTTOTLSVLCGIEN-FQEVSTJZSA-N 1 0 377.488 3.854 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001167878851 843170250 /nfs/dbraw/zinc/17/02/50/843170250.db2.gz MORATACOEKCQAS-XMMPIXPASA-N 1 0 388.511 3.923 20 30 GHEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000178679524 861396759 /nfs/dbraw/zinc/39/67/59/861396759.db2.gz HYNUBTPREQUESQ-IRXDYDNUSA-N 1 0 380.448 3.889 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(F)c2)CC1 ZINC000112639898 843356144 /nfs/dbraw/zinc/35/61/44/843356144.db2.gz MTIRSNLGVXOREK-QFIPXVFZSA-N 1 0 397.469 3.643 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000603925919 861411614 /nfs/dbraw/zinc/41/16/14/861411614.db2.gz QZTXLVGODJGVLW-QPPBQGQZSA-N 1 0 388.467 3.686 20 30 GHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000418649680 843502470 /nfs/dbraw/zinc/50/24/70/843502470.db2.gz JLCGBNUJNFCHOH-VSKRKVRLSA-N 1 0 376.504 3.730 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccn2)[n+]2ccccc2)cc1C ZINC000171086771 861424336 /nfs/dbraw/zinc/42/43/36/861424336.db2.gz NEAXWDODDQAXES-UHFFFAOYSA-O 1 0 390.532 3.757 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1csc(Br)c1 ZINC000128696018 843570094 /nfs/dbraw/zinc/57/00/94/843570094.db2.gz WMQWYKJGCFOQGB-NSHDSACASA-N 1 0 378.295 3.841 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418719313 843570404 /nfs/dbraw/zinc/57/04/04/843570404.db2.gz FDCOLHXJEFPBNU-NQIIRXRSSA-N 1 0 385.483 3.552 20 30 GHEDRO COc1cc(C)c(CN(C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000176052192 843639591 /nfs/dbraw/zinc/63/95/91/843639591.db2.gz WACAHJQACVEQRM-UHFFFAOYSA-N 1 0 387.505 3.633 20 30 GHEDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000891914769 843792086 /nfs/dbraw/zinc/79/20/86/843792086.db2.gz BKTMNMQBGUKACJ-FCHUYYIVSA-N 1 0 392.503 3.786 20 30 GHEDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000891916969 843798238 /nfs/dbraw/zinc/79/82/38/843798238.db2.gz OWNPKSZBLDKZJQ-YADHBBJMSA-N 1 0 392.503 3.786 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000563037023 843814673 /nfs/dbraw/zinc/81/46/73/843814673.db2.gz VGKRXKOWPCUPSG-CQSZACIVSA-N 1 0 376.913 3.677 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000419288555 843885134 /nfs/dbraw/zinc/88/51/34/843885134.db2.gz HUCVZTFSSNNYPZ-LJQANCHMSA-N 1 0 382.552 3.545 20 30 GHEDRO COc1cc(CN2CC[NH+](CCCF)CC2)ccc1OCc1cccc(C#N)c1 ZINC000599673356 861470101 /nfs/dbraw/zinc/47/01/01/861470101.db2.gz ZORJKQOEEOQCTR-UHFFFAOYSA-N 1 0 397.494 3.623 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000731111535 861471941 /nfs/dbraw/zinc/47/19/41/861471941.db2.gz TZCRPTFOTGTCKH-UHFFFAOYSA-N 1 0 377.488 3.527 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000731111734 861471279 /nfs/dbraw/zinc/47/12/79/861471279.db2.gz YOABDZAVWLFFAD-JOCHJYFZSA-N 1 0 393.487 3.666 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(CC)CC ZINC000433315248 844001921 /nfs/dbraw/zinc/00/19/21/844001921.db2.gz BADQJCRHHCAMRK-WOJBJXKFSA-N 1 0 381.524 3.932 20 30 GHEDRO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659775 861491767 /nfs/dbraw/zinc/49/17/67/861491767.db2.gz IUOLNCALYAZIFM-UHFFFAOYSA-N 1 0 375.476 3.692 20 30 GHEDRO Cc1cc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000729140620 844743639 /nfs/dbraw/zinc/74/36/39/844743639.db2.gz KAZXBZXVRVHVIJ-UHFFFAOYSA-N 1 0 384.524 3.597 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNCCCOc2ccccc2)c1C ZINC000729148079 844749642 /nfs/dbraw/zinc/74/96/42/844749642.db2.gz RPESBTJITGHWFR-QFIPXVFZSA-N 1 0 382.552 3.982 20 30 GHEDRO Cc1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)ccc1C[NH+](C)C ZINC000458268939 844770242 /nfs/dbraw/zinc/77/02/42/844770242.db2.gz RAZRQOGKCNFBDW-SFHVURJKSA-N 1 0 380.467 3.532 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCOC2)cc1OCC ZINC000236955291 844816939 /nfs/dbraw/zinc/81/69/39/844816939.db2.gz PBMRAJPQWUINOY-CQSZACIVSA-N 1 0 384.314 3.929 20 30 GHEDRO CCOC(=O)C[C@@H]1CCN(Cc2cc(Br)ccc2C#N)C[C@H]1C ZINC001141907869 861504655 /nfs/dbraw/zinc/50/46/55/861504655.db2.gz RSGUYXCNOOESDL-KGLIPLIRSA-N 1 0 379.298 3.732 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001141907840 861505077 /nfs/dbraw/zinc/50/50/77/861505077.db2.gz QQXPJNIFVGILRO-HDICACEKSA-N 1 0 382.305 3.889 20 30 GHEDRO COC(=O)[C@@]1(NCc2ccc(Cl)cc2C#N)CCC[N@H+](Cc2ccccc2)C1 ZINC000614176777 844872280 /nfs/dbraw/zinc/87/22/80/844872280.db2.gz HAZGVRCCSFJSHN-JOCHJYFZSA-N 1 0 397.906 3.509 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](n4ccnc4)C3)sc2C1 ZINC000610944802 844876204 /nfs/dbraw/zinc/87/62/04/844876204.db2.gz BFXMNLNHNSVUDD-HZPDHXFCSA-N 1 0 397.548 3.607 20 30 GHEDRO COC[C@@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCc2ccccc21 ZINC000599682445 861523969 /nfs/dbraw/zinc/52/39/69/861523969.db2.gz JMSOORLPVRKXPA-BEFAXECRSA-N 1 0 383.517 3.973 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000513200328 845042333 /nfs/dbraw/zinc/04/23/33/845042333.db2.gz HZKOIKLSVQCCCM-HXUWFJFHSA-N 1 0 390.405 3.947 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@@H](O)CO[C@H]1CCCc3ccccc31)C2 ZINC000599686819 861528645 /nfs/dbraw/zinc/52/86/45/861528645.db2.gz ZNKUGQPLGOCFQH-QPPBQGQZSA-N 1 0 376.500 3.566 20 30 GHEDRO CCOC(=O)CCC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000610996660 845086414 /nfs/dbraw/zinc/08/64/14/845086414.db2.gz ZIYREXZPDUVYPF-UHFFFAOYSA-N 1 0 399.535 3.605 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2c(F)cccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000513369034 845317792 /nfs/dbraw/zinc/31/77/92/845317792.db2.gz AHCSMTRYAVGJEN-PXNSSMCTSA-N 1 0 379.479 3.751 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Cc2c(F)cccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000513369027 845317890 /nfs/dbraw/zinc/31/78/90/845317890.db2.gz AHCSMTRYAVGJEN-FXAWDEMLSA-N 1 0 379.479 3.751 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000513443062 845454118 /nfs/dbraw/zinc/45/41/18/845454118.db2.gz LBICVPCHBQVVON-MRXNPFEDSA-N 1 0 395.341 3.691 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000538714692 845596670 /nfs/dbraw/zinc/59/66/70/845596670.db2.gz MCQZNQCRQUIKHO-QGZVFWFLSA-N 1 0 378.398 3.502 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179462644 861590849 /nfs/dbraw/zinc/59/08/49/861590849.db2.gz IDXOKHQDMXNCCK-VXKWHMMOSA-N 1 0 379.504 3.838 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C#N)c1C ZINC000513600055 845715338 /nfs/dbraw/zinc/71/53/38/845715338.db2.gz UEJGJUFNLDZZQR-FQEVSTJZSA-N 1 0 377.488 3.699 20 30 GHEDRO CC(C)(C)Oc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000599748351 861601236 /nfs/dbraw/zinc/60/12/36/861601236.db2.gz DDMDEZGKKXJCLC-UHFFFAOYSA-N 1 0 392.503 3.547 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000071952235 845966976 /nfs/dbraw/zinc/96/69/76/845966976.db2.gz KGEJOQXYROTGGQ-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000481538732 861626100 /nfs/dbraw/zinc/62/61/00/861626100.db2.gz FYASNFHISRCKCF-RVKKMQEKSA-N 1 0 389.565 3.699 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000072007027 846195241 /nfs/dbraw/zinc/19/52/41/846195241.db2.gz AVCHRKHZMILUJF-KNQAVFIVSA-N 1 0 391.515 3.915 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000502591894 846219194 /nfs/dbraw/zinc/21/91/94/846219194.db2.gz BRGFIIBBGGWPOK-NRFANRHFSA-N 1 0 398.551 3.887 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000502581532 846225608 /nfs/dbraw/zinc/22/56/08/846225608.db2.gz YSAXMRTZXUCIQW-KBRIMQKVSA-N 1 0 383.414 3.601 20 30 GHEDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000016402170 846237171 /nfs/dbraw/zinc/23/71/71/846237171.db2.gz DMVCLUNVICEIPT-KRWDZBQOSA-N 1 0 391.471 3.728 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000414523757 846292353 /nfs/dbraw/zinc/29/23/53/846292353.db2.gz IUVBQPLPCWJSOU-CVDCTZTESA-N 1 0 395.551 3.591 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc2c(c1)CCCC2 ZINC000329572116 861691160 /nfs/dbraw/zinc/69/11/60/861691160.db2.gz MXRCCXRPAUSPCI-USCONSEESA-N 1 0 385.552 3.508 20 30 GHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000419638944 846708544 /nfs/dbraw/zinc/70/85/44/846708544.db2.gz LEIPPLBGBZZTAJ-NRFANRHFSA-N 1 0 380.492 3.611 20 30 GHEDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000120015625 846729395 /nfs/dbraw/zinc/72/93/95/846729395.db2.gz LZJHPRSDNRTBDA-LJQANCHMSA-N 1 0 394.519 3.550 20 30 GHEDRO CCN(C(=O)Nc1cc(OC)c(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599814557 861714356 /nfs/dbraw/zinc/71/43/56/861714356.db2.gz FQAILVBVYBQOEI-GOSISDBHSA-N 1 0 396.466 3.834 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110694251 847078703 /nfs/dbraw/zinc/07/87/03/847078703.db2.gz FRIGPIQKSDGONA-UHFFFAOYSA-N 1 0 391.515 3.502 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000501649911 847088273 /nfs/dbraw/zinc/08/82/73/847088273.db2.gz MGFZESAJAZCLHS-UHFFFAOYSA-N 1 0 392.503 3.940 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091218008 847129712 /nfs/dbraw/zinc/12/97/12/847129712.db2.gz XKSJNPJRKRXGBV-LJQANCHMSA-N 1 0 376.504 3.756 20 30 GHEDRO C=CCCn1cc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)nn1 ZINC000657432478 847274381 /nfs/dbraw/zinc/27/43/81/847274381.db2.gz RPTKIXLAZBZNDE-UHFFFAOYSA-N 1 0 394.350 3.915 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187761650 847291875 /nfs/dbraw/zinc/29/18/75/847291875.db2.gz DVZGCSOSSRSBGK-KXBFYZLASA-N 1 0 378.375 3.520 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)CC1 ZINC000728492441 847323853 /nfs/dbraw/zinc/32/38/53/847323853.db2.gz PSEHXDQKKFJIKE-UHFFFAOYSA-N 1 0 384.426 3.828 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000273475917 847349611 /nfs/dbraw/zinc/34/96/11/847349611.db2.gz KHPHLADQJGUXIY-UHFFFAOYSA-N 1 0 392.916 3.558 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccc(C#N)s1 ZINC000422195130 847385832 /nfs/dbraw/zinc/38/58/32/847385832.db2.gz VJLKAURYGWUSJK-HZPDHXFCSA-N 1 0 382.533 3.576 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000420883266 847503500 /nfs/dbraw/zinc/50/35/00/847503500.db2.gz HUHOMBMEISKGKI-UHFFFAOYSA-N 1 0 382.533 3.673 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000420890056 847532696 /nfs/dbraw/zinc/53/26/96/847532696.db2.gz PVACNSPJROTDQT-UHFFFAOYSA-N 1 0 388.924 3.737 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420917563 847537990 /nfs/dbraw/zinc/53/79/90/847537990.db2.gz SOQRBUKMUNGOCB-RPWUZVMVSA-N 1 0 375.516 3.791 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)ccc1OC ZINC000237187252 847540735 /nfs/dbraw/zinc/54/07/35/847540735.db2.gz WJHMGTNPAHGQCR-OAQYLSRUSA-N 1 0 377.431 3.926 20 30 GHEDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC2(C1)Oc1ccccc1O2 ZINC000329621533 861805566 /nfs/dbraw/zinc/80/55/66/861805566.db2.gz RMYOTHNPHWXGRO-INIZCTEOSA-N 1 0 399.516 3.672 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513735144 847588279 /nfs/dbraw/zinc/58/82/79/847588279.db2.gz JYFSIDSKGOTHBY-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000329623500 861810354 /nfs/dbraw/zinc/81/03/54/861810354.db2.gz HLPOFLOXGQRPLN-SFHVURJKSA-N 1 0 392.588 3.819 20 30 GHEDRO COc1ccc(C#N)cc1C[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000502264672 847647608 /nfs/dbraw/zinc/64/76/08/847647608.db2.gz GVACZHNEDNNHRJ-UHFFFAOYSA-N 1 0 379.382 3.928 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1ccc(Br)o1)C(C)C ZINC000503412856 847677801 /nfs/dbraw/zinc/67/78/01/847677801.db2.gz QCXYZHSSLGFHTR-INIZCTEOSA-N 1 0 398.345 3.882 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000479536130 847712052 /nfs/dbraw/zinc/71/20/52/847712052.db2.gz BTCGVJRESYQPCF-SCLBCKFNSA-N 1 0 389.377 3.913 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1F ZINC000502289558 847723818 /nfs/dbraw/zinc/72/38/18/847723818.db2.gz CPYOSSDTCWDWMO-UHFFFAOYSA-N 1 0 392.478 3.758 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)c(C#N)c1C ZINC000503525355 847768886 /nfs/dbraw/zinc/76/88/86/847768886.db2.gz DEVGZASFBXTGKU-CWFSZBLJSA-N 1 0 381.476 3.823 20 30 GHEDRO COc1cccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000599860183 861835376 /nfs/dbraw/zinc/83/53/76/861835376.db2.gz PLSHNLOBZCYLSG-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000502402396 847866825 /nfs/dbraw/zinc/86/68/25/847866825.db2.gz NJRFNXUHNBIMDG-IBGZPJMESA-N 1 0 379.504 3.696 20 30 GHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000479818168 847891376 /nfs/dbraw/zinc/89/13/76/847891376.db2.gz MVWRKDJWNYAXEF-MRXNPFEDSA-N 1 0 397.548 3.992 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421324059 847947208 /nfs/dbraw/zinc/94/72/08/847947208.db2.gz JIQTVKNLJJQJTJ-MRXNPFEDSA-N 1 0 380.467 3.804 20 30 GHEDRO CC(C)(C)OC(=O)Nc1c(C#N)cc(Br)cc1-n1cccc1C[NH3+] ZINC001167595610 847955109 /nfs/dbraw/zinc/95/51/09/847955109.db2.gz HEECEEHUZBKNSV-UHFFFAOYSA-N 1 0 391.269 3.917 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000131962448 861849085 /nfs/dbraw/zinc/84/90/85/861849085.db2.gz FWVZRFZKTYTBJN-FQEVSTJZSA-N 1 0 378.476 3.782 20 30 GHEDRO CC(C)[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000480040786 848032517 /nfs/dbraw/zinc/03/25/17/848032517.db2.gz DWXUQPWPUBPBIG-QFIPXVFZSA-N 1 0 379.552 3.805 20 30 GHEDRO N#CCCC[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000599919095 861878935 /nfs/dbraw/zinc/87/89/35/861878935.db2.gz GGZDIRGLEQWYDH-IKGGRYGDSA-N 1 0 382.430 3.590 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000582807722 848432891 /nfs/dbraw/zinc/43/28/91/848432891.db2.gz BDLXYTZIQDKJQZ-FQEVSTJZSA-N 1 0 379.529 3.731 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1OC ZINC000623753421 861906013 /nfs/dbraw/zinc/90/60/13/861906013.db2.gz YLVVCVIPYWIVHQ-ZBFHGGJFSA-N 1 0 382.298 3.680 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1OCCCC#N ZINC000120002213 848482992 /nfs/dbraw/zinc/48/29/92/848482992.db2.gz ROKUMXQLOOGMFG-UHFFFAOYSA-N 1 0 395.503 3.504 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000511207464 848559046 /nfs/dbraw/zinc/55/90/46/848559046.db2.gz RMGFIHDJNAJKDA-HXUWFJFHSA-N 1 0 378.476 3.916 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)N[C@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000599931812 861929801 /nfs/dbraw/zinc/92/98/01/861929801.db2.gz XNECQXZAKBSXFR-HSZRJFAPSA-N 1 0 384.483 3.674 20 30 GHEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1cccs1 ZINC000121088468 848692068 /nfs/dbraw/zinc/69/20/68/848692068.db2.gz ONGBJGLHAGZOTN-LJQANCHMSA-N 1 0 379.533 3.918 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)cc1OC ZINC000628182832 848783051 /nfs/dbraw/zinc/78/30/51/848783051.db2.gz JJNDXCDCOGUDAN-MOPGFXCFSA-N 1 0 395.927 3.665 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000892318941 848823720 /nfs/dbraw/zinc/82/37/20/848823720.db2.gz JLRVZONNDQVLIJ-UHFFFAOYSA-N 1 0 382.533 3.673 20 30 GHEDRO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)cc1Br ZINC001279109125 849025832 /nfs/dbraw/zinc/02/58/32/849025832.db2.gz YEHGVPXICUGBLM-CALCHBBNSA-N 1 0 388.309 3.552 20 30 GHEDRO CSc1nc(CN2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141929653 862004817 /nfs/dbraw/zinc/00/48/17/862004817.db2.gz ZWOUNZHTWPGRPS-HNNXBMFYSA-N 1 0 390.553 3.754 20 30 GHEDRO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000329674449 862006973 /nfs/dbraw/zinc/00/69/73/862006973.db2.gz VLCQYKYEFLGHDL-XLIONFOSSA-N 1 0 387.499 3.708 20 30 GHEDRO C#Cc1cccc(N(CC)C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000731988695 862013123 /nfs/dbraw/zinc/01/31/23/862013123.db2.gz CEZMATPPZTVEDL-UHFFFAOYSA-N 1 0 375.516 3.623 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCc4cc(Br)ccc43)CC2)nc1 ZINC000161660156 849638976 /nfs/dbraw/zinc/63/89/76/849638976.db2.gz JYLGQALAPWKPGS-IBGZPJMESA-N 1 0 397.320 3.962 20 30 GHEDRO Cc1ccc(C(C)C)c(OCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000503949438 849776431 /nfs/dbraw/zinc/77/64/31/849776431.db2.gz HRKWYOULJKLPHE-UHFFFAOYSA-N 1 0 393.531 3.959 20 30 GHEDRO C=CCC1(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCCCC1 ZINC000458507304 849811364 /nfs/dbraw/zinc/81/13/64/849811364.db2.gz OFJDDYALLAGAEJ-UHFFFAOYSA-N 1 0 385.552 3.722 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000504067058 849861433 /nfs/dbraw/zinc/86/14/33/849861433.db2.gz FLJREUHEHBYXKK-WIYYLYMNSA-N 1 0 391.515 3.695 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000424118999 850232045 /nfs/dbraw/zinc/23/20/45/850232045.db2.gz DAXOYPLOIXAGDZ-LJQANCHMSA-N 1 0 383.565 3.663 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424133694 850260982 /nfs/dbraw/zinc/26/09/82/850260982.db2.gz ZQPZZKAJPSCMEG-XUVXKRRUSA-N 1 0 395.576 3.743 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908677842 850281660 /nfs/dbraw/zinc/28/16/60/850281660.db2.gz LOMZTCBNRWDTIG-IBGZPJMESA-N 1 0 387.572 3.941 20 30 GHEDRO Cc1cc(NC(=O)Cc2ccc(C#N)cc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435272767 850293506 /nfs/dbraw/zinc/29/35/06/850293506.db2.gz SWBOUGYQTVGISS-QFIPXVFZSA-N 1 0 399.498 3.691 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000518923260 850335104 /nfs/dbraw/zinc/33/51/04/850335104.db2.gz ONZGACJGQLRWCV-UHFFFAOYSA-N 1 0 382.529 3.730 20 30 GHEDRO C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(C#N)cc1 ZINC000504834843 850337660 /nfs/dbraw/zinc/33/76/60/850337660.db2.gz FJUUDHXAEBDPTI-OXQOHEQNSA-N 1 0 383.442 3.893 20 30 GHEDRO CC(C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+]1CCCCC1 ZINC000518917966 850350525 /nfs/dbraw/zinc/35/05/25/850350525.db2.gz GCXFABPYBBYMTP-UHFFFAOYSA-N 1 0 378.476 3.740 20 30 GHEDRO C[C@@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518919304 850352830 /nfs/dbraw/zinc/35/28/30/850352830.db2.gz QBOSUBNXSZGYGX-HTAPYJJXSA-N 1 0 379.479 3.850 20 30 GHEDRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000519007957 850481684 /nfs/dbraw/zinc/48/16/84/850481684.db2.gz XKWRCZUFZQZCJI-SFHVURJKSA-N 1 0 394.494 3.718 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000505052311 850574030 /nfs/dbraw/zinc/57/40/30/850574030.db2.gz QQHUNSCWIYCOBD-LEWJYISDSA-N 1 0 379.504 3.562 20 30 GHEDRO c1ccc(CNC(NCCc2nnc3ccccn32)=[NH+]CC2CCCCC2)cc1 ZINC000899893344 862150710 /nfs/dbraw/zinc/15/07/10/862150710.db2.gz QZHHLFUMCCZKDQ-UHFFFAOYSA-N 1 0 390.535 3.588 20 30 GHEDRO C=CCC1(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424791812 850701098 /nfs/dbraw/zinc/70/10/98/850701098.db2.gz QVOYNYDOGMUAQG-PMACEKPBSA-N 1 0 392.490 3.978 20 30 GHEDRO CCCc1c(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cnn1-c1cccc(C#N)c1 ZINC000440073274 850744049 /nfs/dbraw/zinc/74/40/49/850744049.db2.gz DZVPBRAHZMAFTP-QGZVFWFLSA-N 1 0 379.508 3.899 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000435727559 850791065 /nfs/dbraw/zinc/79/10/65/850791065.db2.gz ZBCCILZYTRZNCD-ZUZCIYMTSA-N 1 0 393.215 3.640 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000435742092 850827436 /nfs/dbraw/zinc/82/74/36/850827436.db2.gz SJODZYSQYSICCS-HZMBPMFUSA-N 1 0 390.119 3.677 20 30 GHEDRO C[C@@H]1CN([C@H](CNC(=[NH2+])Nc2ccccc2)c2c(F)cccc2Cl)CCO1 ZINC000262006750 850842098 /nfs/dbraw/zinc/84/20/98/850842098.db2.gz VTGBOPPOBVTOCP-RDTXWAMCSA-N 1 0 390.890 3.668 20 30 GHEDRO N#C[C@@H]1CN(Cc2ccccc2Oc2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513976422 851068771 /nfs/dbraw/zinc/06/87/71/851068771.db2.gz WSXLPIGNQKNLJL-HOYKHHGWSA-N 1 0 396.450 3.719 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000440384468 851108916 /nfs/dbraw/zinc/10/89/16/851108916.db2.gz WNJJUFOTDHWOCM-ZCYQVOJMSA-N 1 0 387.527 3.743 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000604440777 862207043 /nfs/dbraw/zinc/20/70/43/862207043.db2.gz SKBQTUIWWWHEAJ-QLFBSQMISA-N 1 0 386.565 3.649 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nn1-c1cccc(C#N)c1 ZINC000505752320 851195033 /nfs/dbraw/zinc/19/50/33/851195033.db2.gz CUCFUAUTCLIGAH-UHFFFAOYSA-N 1 0 385.471 3.901 20 30 GHEDRO C=CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000187739432 851237241 /nfs/dbraw/zinc/23/72/41/851237241.db2.gz VUFITHVIUYDJBX-DHIUTWEWSA-N 1 0 378.516 3.619 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000425476085 851256725 /nfs/dbraw/zinc/25/67/25/851256725.db2.gz NJZCISVCOYPTIE-ROUUACIJSA-N 1 0 391.519 3.881 20 30 GHEDRO CC(C)SCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000514126672 851267161 /nfs/dbraw/zinc/26/71/61/851267161.db2.gz KWNNIAUCLSOZGK-KRWDZBQOSA-N 1 0 382.371 3.773 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000488226025 851291628 /nfs/dbraw/zinc/29/16/28/851291628.db2.gz ZNHLQMBYLALHTB-UHFFFAOYSA-N 1 0 378.426 3.749 20 30 GHEDRO CCS[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000175007513 851294030 /nfs/dbraw/zinc/29/40/30/851294030.db2.gz JDSLTJGGZWTLDQ-WOJBJXKFSA-N 1 0 388.581 3.696 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCSC1 ZINC000481772686 862229143 /nfs/dbraw/zinc/22/91/43/862229143.db2.gz BLUWDNXVFZUXEE-OAQYLSRUSA-N 1 0 396.516 3.909 20 30 GHEDRO N#CCCOCC[NH+]1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000550063242 851336936 /nfs/dbraw/zinc/33/69/36/851336936.db2.gz IJHHJSKOWCXGTM-UHFFFAOYSA-N 1 0 399.922 3.971 20 30 GHEDRO N#CCN1CCC([NH2+][C@H](Cc2ccccc2Br)c2ccoc2)CC1 ZINC000925005199 851372024 /nfs/dbraw/zinc/37/20/24/851372024.db2.gz ZMQGTLMYBICIOG-LJQANCHMSA-N 1 0 388.309 3.903 20 30 GHEDRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000515717003 851385740 /nfs/dbraw/zinc/38/57/40/851385740.db2.gz YKNIGXKJSRXYHH-QPPBQGQZSA-N 1 0 394.515 3.926 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000436279692 851401204 /nfs/dbraw/zinc/40/12/04/851401204.db2.gz BRYAZSDLGCZFEB-IYOUNJFTSA-N 1 0 381.314 3.737 20 30 GHEDRO O=C(C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1)Nc1ccc2c(c1)OCCCO2 ZINC000329725443 862240456 /nfs/dbraw/zinc/24/04/56/862240456.db2.gz BWGYLWXERHRFNM-LJQANCHMSA-N 1 0 393.487 3.573 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)NCC#Cc1ccccc1)[NH+]1CCCCC1 ZINC000515793673 851486190 /nfs/dbraw/zinc/48/61/90/851486190.db2.gz RCYLSICTRWBQNV-QFIPXVFZSA-N 1 0 391.515 3.573 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000110992401 851523311 /nfs/dbraw/zinc/52/33/11/851523311.db2.gz NMRAJHUDRIRAIO-FQEVSTJZSA-N 1 0 393.535 3.685 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]C[C@@H]3CC4c5ccccc5C3c3ccccc34)cnc12 ZINC000550111931 851613541 /nfs/dbraw/zinc/61/35/41/851613541.db2.gz JPGHMWIWVVNUEP-XWFFHEKESA-N 1 0 391.478 3.988 20 30 GHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H](C)C1 ZINC000488715986 851720617 /nfs/dbraw/zinc/72/06/17/851720617.db2.gz JAICFLSUAGGCJJ-JKSBSHDWSA-N 1 0 377.536 3.650 20 30 GHEDRO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488809513 851785430 /nfs/dbraw/zinc/78/54/30/851785430.db2.gz NTJYOHUQECUZHW-KXBFYZLASA-N 1 0 375.875 3.889 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000604539168 862290102 /nfs/dbraw/zinc/29/01/02/862290102.db2.gz QFAKVHJJGQAOQR-INIZCTEOSA-N 1 0 395.482 3.722 20 30 GHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329764776 862304262 /nfs/dbraw/zinc/30/42/62/862304262.db2.gz WDJYVMBYNCPXIU-IAGOWNOFSA-N 1 0 380.492 3.546 20 30 GHEDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000517497439 852031790 /nfs/dbraw/zinc/03/17/90/852031790.db2.gz HOTQIXFXJXRTSE-VXKWHMMOSA-N 1 0 375.472 3.899 20 30 GHEDRO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000516050311 852102336 /nfs/dbraw/zinc/10/23/36/852102336.db2.gz RQENOHVSLCOBLC-FUHYEJFZSA-N 1 0 380.488 3.586 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000438197360 852108100 /nfs/dbraw/zinc/10/81/00/852108100.db2.gz BKXXVXCTPLDELP-KRWDZBQOSA-N 1 0 378.476 3.695 20 30 GHEDRO CCCCN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000517564739 852119784 /nfs/dbraw/zinc/11/97/84/852119784.db2.gz USIHYPYROWJFCL-UHFFFAOYSA-N 1 0 392.547 3.999 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)CC2 ZINC000329794080 862326377 /nfs/dbraw/zinc/32/63/77/862326377.db2.gz BPBCZQDVKOVPJM-LSDHHAIUSA-N 1 0 398.473 3.986 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n(-c2ccccn2)n1 ZINC000329801553 862331106 /nfs/dbraw/zinc/33/11/06/862331106.db2.gz YUJQBFKNYAXZPI-CVEARBPZSA-N 1 0 382.512 3.518 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[N@@H+]1C ZINC000489335783 852228324 /nfs/dbraw/zinc/22/83/24/852228324.db2.gz JDHJXRVFELQVNK-JOCHJYFZSA-N 1 0 377.488 3.957 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccs1 ZINC000517664380 852237746 /nfs/dbraw/zinc/23/77/46/852237746.db2.gz UFLZCIBVZRBWHC-SFHVURJKSA-N 1 0 392.484 3.840 20 30 GHEDRO C=CCOc1ccccc1CNCc1ccccc1OCC(=O)N1CCCC1 ZINC000517710781 852316625 /nfs/dbraw/zinc/31/66/25/852316625.db2.gz DGEWZSNVINYPTH-UHFFFAOYSA-N 1 0 380.488 3.542 20 30 GHEDRO C=CCN(C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H](C)COC ZINC000664693719 852371519 /nfs/dbraw/zinc/37/15/19/852371519.db2.gz GEIBJNULIRLWCH-PBHICJAKSA-N 1 0 387.446 3.541 20 30 GHEDRO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000438449189 852412867 /nfs/dbraw/zinc/41/28/67/852412867.db2.gz BGXXEESSDWBAKC-WMZHIEFXSA-N 1 0 390.531 3.872 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1)C(C)C ZINC000425646403 852451853 /nfs/dbraw/zinc/45/18/53/852451853.db2.gz BQOGAAARFCTUQR-SFTDATJTSA-N 1 0 389.584 3.676 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000507236643 852696420 /nfs/dbraw/zinc/69/64/20/852696420.db2.gz XYYAOVZBQWNLBT-LSDHHAIUSA-N 1 0 379.439 3.688 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489998972 852697060 /nfs/dbraw/zinc/69/70/60/852697060.db2.gz QULJJZGIVJNNNH-IBGZPJMESA-N 1 0 375.476 3.570 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000518014011 852732378 /nfs/dbraw/zinc/73/23/78/852732378.db2.gz JANHFEPDOBMAIK-QGZVFWFLSA-N 1 0 387.405 3.715 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000507265771 852732868 /nfs/dbraw/zinc/73/28/68/852732868.db2.gz WTNIRJILYJPUAN-HXUWFJFHSA-N 1 0 383.879 3.786 20 30 GHEDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC(CCC#N)CC3)c2C1 ZINC000516649228 852837949 /nfs/dbraw/zinc/83/79/49/852837949.db2.gz DCJIEONQSOWKKQ-QGZVFWFLSA-N 1 0 396.535 3.528 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427273534 852923368 /nfs/dbraw/zinc/92/33/68/852923368.db2.gz MMUFBEVUGODIOV-UHFFFAOYSA-N 1 0 398.514 3.715 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000729475294 852956797 /nfs/dbraw/zinc/95/67/97/852956797.db2.gz QVWXVSDZPMALAO-MOPGFXCFSA-N 1 0 393.572 3.665 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[NH+](C(C)C)CC2)cc1OC ZINC000506395312 852957924 /nfs/dbraw/zinc/95/79/24/852957924.db2.gz NWBKPSHTMUXIEM-UHFFFAOYSA-N 1 0 383.330 3.549 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000516761609 852989448 /nfs/dbraw/zinc/98/94/48/852989448.db2.gz KADZOYPXQVOLJO-UHFFFAOYSA-N 1 0 396.466 3.709 20 30 GHEDRO CN1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000329914433 862418240 /nfs/dbraw/zinc/41/82/40/862418240.db2.gz PEKJOZDWKHVVRD-FUHWJXTLSA-N 1 0 391.418 3.597 20 30 GHEDRO C=CCC1(C(=O)N2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CCOCC1 ZINC000913086073 853058277 /nfs/dbraw/zinc/05/82/77/853058277.db2.gz YYGROAKKJPDFNF-GOTSBHOMSA-N 1 0 382.548 3.730 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000507632463 853127246 /nfs/dbraw/zinc/12/72/46/853127246.db2.gz AMXBOTJGQOCWFW-UHFFFAOYSA-N 1 0 377.488 3.878 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1(c2ccccc2)CCCC1 ZINC000481867127 862429937 /nfs/dbraw/zinc/42/99/37/862429937.db2.gz YENKLWLNRCZFBQ-GOSISDBHSA-N 1 0 382.529 3.822 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(OCCO)cc3)c2)c1 ZINC000518274842 853149829 /nfs/dbraw/zinc/14/98/29/853149829.db2.gz ZWWNFTLZYZRKFF-UHFFFAOYSA-N 1 0 388.467 3.798 20 30 GHEDRO C[C@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516916418 853153874 /nfs/dbraw/zinc/15/38/74/853153874.db2.gz BIBMBIRZYSZCGC-GAJHUEQPSA-N 1 0 376.504 3.975 20 30 GHEDRO O=C(CNC(=O)NCc1ccc(F)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329930171 862433767 /nfs/dbraw/zinc/43/37/67/862433767.db2.gz OFMUXLWKNIVOCU-UHFFFAOYSA-N 1 0 390.503 3.583 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000329930564 862434057 /nfs/dbraw/zinc/43/40/57/862434057.db2.gz OOEHQLLAORVKLI-MRXNPFEDSA-N 1 0 387.499 3.932 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000329935864 862437314 /nfs/dbraw/zinc/43/73/14/862437314.db2.gz CSPXCJKPFKCBAO-MISYRCLQSA-N 1 0 397.498 3.894 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1)C[C@H]1CCCCO1 ZINC000490710334 853206496 /nfs/dbraw/zinc/20/64/96/853206496.db2.gz QODBTWCMMABJPN-OAQYLSRUSA-N 1 0 380.492 3.918 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000437516535 853217154 /nfs/dbraw/zinc/21/71/54/853217154.db2.gz IJOHSAKEGZPVBK-FQEVSTJZSA-N 1 0 397.906 3.874 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1OC ZINC000518340563 853238544 /nfs/dbraw/zinc/23/85/44/853238544.db2.gz FCILFSSEMZHAND-GOSISDBHSA-N 1 0 388.895 3.946 20 30 GHEDRO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCOCC1 ZINC000329950859 862451399 /nfs/dbraw/zinc/45/13/99/862451399.db2.gz MBAMDFVCVVVBPX-LQCXBHPOSA-N 1 0 385.552 3.891 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccc(CC#N)cc1 ZINC000519704811 853415337 /nfs/dbraw/zinc/41/53/37/853415337.db2.gz BKJCBJCQYOBZIR-UHFFFAOYSA-N 1 0 384.549 3.868 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000491057388 853429921 /nfs/dbraw/zinc/42/99/21/853429921.db2.gz LQXLUILQISZHHA-JOCHJYFZSA-N 1 0 387.527 3.960 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000586789122 853549035 /nfs/dbraw/zinc/54/90/35/853549035.db2.gz ZQAHHQYDIYQJMT-OJAWGZOXSA-N 1 0 377.488 3.826 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccc(F)cc4F)C3)CC2)cc1 ZINC000586790016 853550492 /nfs/dbraw/zinc/55/04/92/853550492.db2.gz ZXSZYSWEDFTNGV-LJQANCHMSA-N 1 0 382.458 3.674 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000732762889 862480767 /nfs/dbraw/zinc/48/07/67/862480767.db2.gz CHMJMNLHQVXIIG-OXQOHEQNSA-N 1 0 396.560 3.866 20 30 GHEDRO COc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(C)c2)c(OC)c1 ZINC000055014228 853630283 /nfs/dbraw/zinc/63/02/83/853630283.db2.gz VJKYKNKAYRBVAM-UHFFFAOYSA-O 1 0 387.525 3.627 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103461 853645779 /nfs/dbraw/zinc/64/57/79/853645779.db2.gz KVWNWVOEQGFDJI-SFHVURJKSA-N 1 0 377.488 3.907 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-c3csc(C)n3)cc2)CC1 ZINC000517319524 853654147 /nfs/dbraw/zinc/65/41/47/853654147.db2.gz YQRKNKOEXAFMBA-UHFFFAOYSA-N 1 0 384.549 3.958 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)NC(C)C)[n+]2ccc3c(c2)CCCC3)c1 ZINC000044557620 853657527 /nfs/dbraw/zinc/65/75/27/853657527.db2.gz SCNNYNMWFLPJGI-UHFFFAOYSA-O 1 0 383.537 3.798 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C#N ZINC000571023972 853690590 /nfs/dbraw/zinc/69/05/90/853690590.db2.gz FJMGZQRMAPIUGK-IUODEOHRSA-N 1 0 375.523 3.589 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCC2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000440985527 853800900 /nfs/dbraw/zinc/80/09/00/853800900.db2.gz MHRUEGICFHHWMI-LCLFBYRMSA-N 1 0 382.552 3.916 20 30 GHEDRO C=CC[N@H+](CC#Cc1ccccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441146576 853945512 /nfs/dbraw/zinc/94/55/12/853945512.db2.gz NOKIISSVFSBFOJ-QGZVFWFLSA-N 1 0 377.879 3.916 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000520258287 853995290 /nfs/dbraw/zinc/99/52/90/853995290.db2.gz JCCYWFRZZFLHEG-HXUWFJFHSA-N 1 0 395.551 3.806 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC[C@H]21 ZINC000248013439 854183502 /nfs/dbraw/zinc/18/35/02/854183502.db2.gz LNOLQANMDRJWDL-JTHBVZDNSA-N 1 0 389.499 3.694 20 30 GHEDRO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330064924 862547298 /nfs/dbraw/zinc/54/72/98/862547298.db2.gz ROXJGQCJDZGGPL-RCCFBDPRSA-N 1 0 380.435 3.744 20 30 GHEDRO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000894964122 854280979 /nfs/dbraw/zinc/28/09/79/854280979.db2.gz JWYXMCCOBXWJER-QGZVFWFLSA-N 1 0 381.480 3.806 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](c2cccs2)C1)C(C)C ZINC000473944026 854387991 /nfs/dbraw/zinc/38/79/91/854387991.db2.gz ZNVGPHAWFUIHNO-MSOLQXFVSA-N 1 0 377.554 3.530 20 30 GHEDRO Cc1cn2c(n1)[C@H](CNC(=O)NC1CC[NH+](Cc3ccccc3C)CC1)CCC2 ZINC000328665680 854495487 /nfs/dbraw/zinc/49/54/87/854495487.db2.gz ZLBKMIVKQDRITA-IBGZPJMESA-N 1 0 395.551 3.546 20 30 GHEDRO COc1ccc(OC)c(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000328666314 854497032 /nfs/dbraw/zinc/49/70/32/854497032.db2.gz ZVDBDSUXQVGMKH-UHFFFAOYSA-N 1 0 389.540 3.751 20 30 GHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c2)cn1 ZINC000328691564 854511259 /nfs/dbraw/zinc/51/12/59/854511259.db2.gz IVXOLDRZSZXJIC-APWZRJJASA-N 1 0 380.492 3.780 20 30 GHEDRO CC[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000328734003 854541721 /nfs/dbraw/zinc/54/17/21/854541721.db2.gz JVKGHRQHYHDNEG-ZACQAIPSSA-N 1 0 388.903 3.528 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000328836028 854568703 /nfs/dbraw/zinc/56/87/03/854568703.db2.gz MNEDKTDTULZVLY-CKEIUWERSA-N 1 0 375.538 3.958 20 30 GHEDRO CN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000328877599 854594232 /nfs/dbraw/zinc/59/42/32/854594232.db2.gz KQPGPAIETOVNEM-HFTRVMKXSA-N 1 0 377.916 3.689 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H](C3CC3)C2)c1C#N ZINC000588977606 854622913 /nfs/dbraw/zinc/62/29/13/854622913.db2.gz DLHXBDURBJGPMA-SFHVURJKSA-N 1 0 380.492 3.678 20 30 GHEDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)Nc1scnc1C1CC1 ZINC000328925159 854624136 /nfs/dbraw/zinc/62/41/36/854624136.db2.gz OBPLSXNLEUUMJQ-UHFFFAOYSA-N 1 0 378.542 3.629 20 30 GHEDRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(C)CCOCc1ccc(C#N)cc1 ZINC000588980549 854625738 /nfs/dbraw/zinc/62/57/38/854625738.db2.gz YYYDAVGBKLRHGR-INIZCTEOSA-N 1 0 385.895 3.996 20 30 GHEDRO O=C(CCc1ccnc2ccccc12)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000328964425 854634294 /nfs/dbraw/zinc/63/42/94/854634294.db2.gz RTQZCSWTHSIJMM-FGZHOGPDSA-N 1 0 381.520 3.892 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000056308782 854636459 /nfs/dbraw/zinc/63/64/59/854636459.db2.gz CHOIUHAIUYZHJL-HXUWFJFHSA-N 1 0 386.540 3.606 20 30 GHEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000330125699 862596060 /nfs/dbraw/zinc/59/60/60/862596060.db2.gz BSBFWULJOMFRLQ-YZIUBNRHSA-N 1 0 394.519 3.840 20 30 GHEDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cn(CCCC#N)c4ccccc34)n1)OC2 ZINC000589155180 854729904 /nfs/dbraw/zinc/72/99/04/854729904.db2.gz QRVSBNLOHHFVEE-UGKGYDQZSA-N 1 0 391.475 3.921 20 30 GHEDRO COc1cccc(-c2n[nH]cc2CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000589194657 854741201 /nfs/dbraw/zinc/74/12/01/854741201.db2.gz YYMJHRHHPCQCQM-UHFFFAOYSA-N 1 0 389.503 3.521 20 30 GHEDRO CCC[NH+](CCC)CCCC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000553207665 854872574 /nfs/dbraw/zinc/87/25/74/854872574.db2.gz WAPJVVVGJCRXTH-UHFFFAOYSA-N 1 0 389.515 3.969 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000572632052 854935354 /nfs/dbraw/zinc/93/53/54/854935354.db2.gz QVGAFMSTMCEVRB-MJGOQNOKSA-N 1 0 388.920 3.911 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2cccnc12)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330162897 862626219 /nfs/dbraw/zinc/62/62/19/862626219.db2.gz UXILICGPVCOLMI-HIFRSBDPSA-N 1 0 376.407 3.789 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000115840427 855090688 /nfs/dbraw/zinc/09/06/88/855090688.db2.gz BENCHXYTNQGWRK-JOCHJYFZSA-N 1 0 396.494 3.727 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(CO)c1 ZINC000186970236 862649147 /nfs/dbraw/zinc/64/91/47/862649147.db2.gz MUUXJAKFDBFUIY-UHFFFAOYSA-O 1 0 397.520 3.930 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168626741 855184410 /nfs/dbraw/zinc/18/44/10/855184410.db2.gz YOYKEGOLQTYEQY-FPOVZHCZSA-N 1 0 388.508 3.540 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccc(F)cc3)CC2)nc1 ZINC000589945472 855216316 /nfs/dbraw/zinc/21/63/16/855216316.db2.gz GVZDJYYIWNKJKF-VGOFRKELSA-N 1 0 394.494 3.819 20 30 GHEDRO CCC(CC)c1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)on1 ZINC000266846173 855292766 /nfs/dbraw/zinc/29/27/66/855292766.db2.gz WHVBNESPCLVJAL-UHFFFAOYSA-N 1 0 397.523 3.723 20 30 GHEDRO N#Cc1ccc(OCC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000106829546 855305456 /nfs/dbraw/zinc/30/54/56/855305456.db2.gz ADMDOQORRBBBCD-UHFFFAOYSA-N 1 0 397.906 3.619 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCCC[C@H]1c1ccccc1 ZINC000330212217 862665127 /nfs/dbraw/zinc/66/51/27/862665127.db2.gz DMDHEAYHTYIJKF-BDTNDASRSA-N 1 0 385.552 3.896 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)[C@H]2C1 ZINC000590442290 855422321 /nfs/dbraw/zinc/42/23/21/855422321.db2.gz FGCIGFOHFIDDFF-AEFFLSMTSA-N 1 0 381.863 3.780 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000330245816 862691269 /nfs/dbraw/zinc/69/12/69/862691269.db2.gz XXNFYVGTCLHXEQ-NJYVYQBISA-N 1 0 389.515 3.645 20 30 GHEDRO CC(C)c1nc([C@H]2CCCN2C(=O)NCC2([NH+](C)C)CCCCCC2)no1 ZINC000330246943 862691522 /nfs/dbraw/zinc/69/15/22/862691522.db2.gz FJXIGPFHMJTBFF-MRXNPFEDSA-N 1 0 377.533 3.899 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)c1cccc(Cl)c1 ZINC000590750721 855563873 /nfs/dbraw/zinc/56/38/73/855563873.db2.gz FXGLYMWTKDDCTH-XUVXKRRUSA-N 1 0 389.927 3.602 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC000590803708 855595466 /nfs/dbraw/zinc/59/54/66/855595466.db2.gz JZKWMJJAKIFKGD-QFIPXVFZSA-N 1 0 391.475 3.695 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000590816844 855619473 /nfs/dbraw/zinc/61/94/73/855619473.db2.gz SBFLZZRKZPOYEK-GLOJMNGXSA-N 1 0 380.536 3.669 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000590947191 855669576 /nfs/dbraw/zinc/66/95/76/855669576.db2.gz GLCUOQUICWXLCB-KRWDZBQOSA-N 1 0 380.467 3.503 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000590950046 855670869 /nfs/dbraw/zinc/67/08/69/855670869.db2.gz IBDBDFOKNJAACH-INIZCTEOSA-N 1 0 379.464 3.599 20 30 GHEDRO C[NH+](C)[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)Cc1ccccc1 ZINC000301355119 855677897 /nfs/dbraw/zinc/67/78/97/855677897.db2.gz OFZPKLFFFFPCQA-GOSISDBHSA-N 1 0 375.432 3.599 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)ccc1OC ZINC000060947310 855705611 /nfs/dbraw/zinc/70/56/11/855705611.db2.gz OYGZCVXGSKZEAI-UHFFFAOYSA-N 1 0 384.476 3.638 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000056901567 855712259 /nfs/dbraw/zinc/71/22/59/855712259.db2.gz NKSCEZMJUVKCHJ-OAQYLSRUSA-N 1 0 396.922 3.972 20 30 GHEDRO COc1ccccc1[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000301628656 855729632 /nfs/dbraw/zinc/72/96/32/855729632.db2.gz IEELSGDXMFTJRM-QGZVFWFLSA-N 1 0 381.436 3.509 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301658309 855735346 /nfs/dbraw/zinc/73/53/46/855735346.db2.gz BRESISWRURJPDT-VQTJNVASSA-N 1 0 376.460 3.957 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459115809 855753774 /nfs/dbraw/zinc/75/37/74/855753774.db2.gz JHHQBTVZYUJZSU-FQEVSTJZSA-N 1 0 380.467 3.503 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)ccc1OC ZINC000237204882 855772191 /nfs/dbraw/zinc/77/21/91/855772191.db2.gz WJHMGTNPAHGQCR-NRFANRHFSA-N 1 0 377.431 3.926 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302026122 855802416 /nfs/dbraw/zinc/80/24/16/855802416.db2.gz KWBUOXZBMXYNHB-UHFFFAOYSA-N 1 0 381.442 3.906 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000462467496 855811814 /nfs/dbraw/zinc/81/18/14/855811814.db2.gz UYDXPEIISWDSRL-MRXNPFEDSA-N 1 0 378.476 3.581 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2nc3ccccn3c2C#N)CCOCC1)c1ccccc1 ZINC000302094820 855815790 /nfs/dbraw/zinc/81/57/90/855815790.db2.gz NORMIONMAIBZCY-QGZVFWFLSA-N 1 0 375.476 3.518 20 30 GHEDRO CN(C(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459120551 855859405 /nfs/dbraw/zinc/85/94/05/855859405.db2.gz MZNJKQVJJFAMHQ-HXUWFJFHSA-N 1 0 380.467 3.503 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000302388691 855860799 /nfs/dbraw/zinc/86/07/99/855860799.db2.gz JAJOLHHOIUGHJG-IAGOWNOFSA-N 1 0 375.394 3.624 20 30 GHEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000302463956 855869471 /nfs/dbraw/zinc/86/94/71/855869471.db2.gz SBUVCDJMZZJLIM-FQEVSTJZSA-N 1 0 389.421 3.650 20 30 GHEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000591285044 855884678 /nfs/dbraw/zinc/88/46/78/855884678.db2.gz HCDWZGFORKJBCE-OALUTQOASA-N 1 0 396.466 3.609 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC000591343774 855898337 /nfs/dbraw/zinc/89/83/37/855898337.db2.gz NBGWTWZZRWDRSV-FQEVSTJZSA-N 1 0 391.519 3.671 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)c1 ZINC000554421084 855898900 /nfs/dbraw/zinc/89/89/00/855898900.db2.gz UKWOZTNTXNMDPT-GOSISDBHSA-N 1 0 394.544 3.820 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000591360236 855950920 /nfs/dbraw/zinc/95/09/20/855950920.db2.gz DUPVGIBSKQVAID-OAQYLSRUSA-N 1 0 380.467 3.551 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000542811146 855968196 /nfs/dbraw/zinc/96/81/96/855968196.db2.gz KVZVNOKRHOMOOK-OXQOHEQNSA-N 1 0 391.471 3.566 20 30 GHEDRO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000542811111 855969741 /nfs/dbraw/zinc/96/97/41/855969741.db2.gz CTMOYYSUTQRVOF-SJLPKXTDSA-N 1 0 380.517 3.740 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(CC#N)CC2)C[C@@H]1C(F)(F)F ZINC001168562350 856053463 /nfs/dbraw/zinc/05/34/63/856053463.db2.gz YNLJDULWISFQMS-HUUCEWRRSA-N 1 0 375.435 3.942 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCN(c3ccc(C#N)cc3)CC1)O[C@@H](C)C2 ZINC000573344357 856058594 /nfs/dbraw/zinc/05/85/94/856058594.db2.gz UDCVSHBWRPJWJO-INIZCTEOSA-N 1 0 377.488 3.649 20 30 GHEDRO C#CCO[C@@H](C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC001126993816 856061131 /nfs/dbraw/zinc/06/11/31/856061131.db2.gz AOPFTMCDSKJHSD-HNAYVOBHSA-N 1 0 399.362 3.947 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)n2c1 ZINC000123197018 856076900 /nfs/dbraw/zinc/07/69/00/856076900.db2.gz IBDQKNOMSXESEH-UHFFFAOYSA-N 1 0 379.895 3.614 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1C(F)(F)F ZINC000123196825 856078128 /nfs/dbraw/zinc/07/81/28/856078128.db2.gz CJGMENMZUBITJQ-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO C[N@H+](CCCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)Cc1ccccc1 ZINC000171296714 856079320 /nfs/dbraw/zinc/07/93/20/856079320.db2.gz XWTQPPUZZMQZBD-UHFFFAOYSA-N 1 0 376.504 3.754 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cc1OC ZINC000109025567 856102535 /nfs/dbraw/zinc/10/25/35/856102535.db2.gz HNICAJXWEQAODR-INIZCTEOSA-N 1 0 385.489 3.803 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000573423939 856118524 /nfs/dbraw/zinc/11/85/24/856118524.db2.gz VOUZCFBYNXYRNB-QFIPXVFZSA-N 1 0 375.472 3.741 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000543988760 856164677 /nfs/dbraw/zinc/16/46/77/856164677.db2.gz HLQAVUZFQHLAOU-INIZCTEOSA-N 1 0 399.926 3.928 20 30 GHEDRO CSc1ccc(NC(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000171610096 856201857 /nfs/dbraw/zinc/20/18/57/856201857.db2.gz IZJWQTHEJRRYGP-UHFFFAOYSA-N 1 0 381.501 3.762 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482167711 862768304 /nfs/dbraw/zinc/76/83/04/862768304.db2.gz WWGVOHLGWNKXAU-NRFANRHFSA-N 1 0 389.503 3.854 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000760863487 856209153 /nfs/dbraw/zinc/20/91/53/856209153.db2.gz AEFLBFMIVKRBPF-IBGZPJMESA-N 1 0 378.520 3.828 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)CC1 ZINC000172251750 856238221 /nfs/dbraw/zinc/23/82/21/856238221.db2.gz XKKTUAGAKUNYAU-UHFFFAOYSA-N 1 0 392.475 3.945 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C#N)cc1 ZINC000046529259 856238280 /nfs/dbraw/zinc/23/82/80/856238280.db2.gz SKIKZDSHWSPTFT-UHFFFAOYSA-N 1 0 390.256 3.920 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(OCC)cn1 ZINC000674389145 856242362 /nfs/dbraw/zinc/24/23/62/856242362.db2.gz ZTWKWNVUOAQWAM-UHFFFAOYSA-N 1 0 387.553 3.579 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(C#N)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000109141594 856242468 /nfs/dbraw/zinc/24/24/68/856242468.db2.gz OGNGPPDBPCFMBR-QGZVFWFLSA-N 1 0 397.441 3.525 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3csc(-c4ccccn4)n3)C2)c(F)c1 ZINC000109351810 856284361 /nfs/dbraw/zinc/28/43/61/856284361.db2.gz XEELLZQIDAFRGE-INIZCTEOSA-N 1 0 393.491 3.974 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000171852480 856288266 /nfs/dbraw/zinc/28/82/66/856288266.db2.gz IOXLMSWIGARTNS-SEJPIABJSA-N 1 0 392.478 3.692 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)cc1Cl ZINC000591765727 856289822 /nfs/dbraw/zinc/28/98/22/856289822.db2.gz CSKAKJPLUHBMEB-AWEZNQCLSA-N 1 0 384.785 3.760 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)c2)c1 ZINC000172207512 856369004 /nfs/dbraw/zinc/36/90/04/856369004.db2.gz FLIRVLAHHUECOT-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000109790460 856371453 /nfs/dbraw/zinc/37/14/53/856371453.db2.gz YAEYQVSKOOYELK-FYYLOGMGSA-N 1 0 376.431 3.816 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1Cl ZINC000591853095 856386668 /nfs/dbraw/zinc/38/66/68/856386668.db2.gz GSXGYNKUICHYFZ-PZJWPPBQSA-N 1 0 394.906 3.628 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000058275119 856421219 /nfs/dbraw/zinc/42/12/19/856421219.db2.gz STTBXNAFHZITMF-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000905653049 856444111 /nfs/dbraw/zinc/44/41/11/856444111.db2.gz HVJIAESRZTXCGX-NSHDSACASA-N 1 0 390.119 3.602 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000507824079 856448160 /nfs/dbraw/zinc/44/81/60/856448160.db2.gz NFKWOZFVBQRTPX-UHFFFAOYSA-N 1 0 382.483 3.977 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000181213150 862800881 /nfs/dbraw/zinc/80/08/81/862800881.db2.gz QHXWLMHLVKFNKN-SIKLNZKXSA-N 1 0 377.488 3.691 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000507920611 856669345 /nfs/dbraw/zinc/66/93/45/856669345.db2.gz NSRGQGHYZVOPCX-UHFFFAOYSA-N 1 0 375.394 3.718 20 30 GHEDRO N#C[C@@]1(F)CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000592278300 856734111 /nfs/dbraw/zinc/73/41/11/856734111.db2.gz FQEQXTJTJVRDAL-IBGZPJMESA-N 1 0 376.501 3.734 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1cc(C#N)ccc1C ZINC000058452244 856782473 /nfs/dbraw/zinc/78/24/73/856782473.db2.gz OSJKGWPPDJRMGG-UHFFFAOYSA-N 1 0 380.492 3.909 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1OC ZINC000508000887 856786451 /nfs/dbraw/zinc/78/64/51/856786451.db2.gz TXOXRJNIDWERPP-IBGZPJMESA-N 1 0 395.503 3.814 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)o2)cc1 ZINC000173409071 856910821 /nfs/dbraw/zinc/91/08/21/856910821.db2.gz LYEWLTAZWUYMCL-UHFFFAOYSA-N 1 0 384.443 3.864 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)NCCSCc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000245627604 857021929 /nfs/dbraw/zinc/02/19/29/857021929.db2.gz GXNFGILSBSCILE-NHCUHLMSSA-N 1 0 394.544 3.536 20 30 GHEDRO CC(C)N(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592693921 857026740 /nfs/dbraw/zinc/02/67/40/857026740.db2.gz BLCMYWYSCHSVNU-HXUWFJFHSA-N 1 0 379.479 3.751 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1cccs1 ZINC000888412557 857181433 /nfs/dbraw/zinc/18/14/33/857181433.db2.gz NFZNWPUKKBRLSL-GXFFZTMASA-N 1 0 395.941 3.934 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000766109880 857186272 /nfs/dbraw/zinc/18/62/72/857186272.db2.gz UAZIJCKSJBXIRB-KUHUBIRLSA-N 1 0 387.863 3.507 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1cc(C#N)ccc1F ZINC000174027477 857199976 /nfs/dbraw/zinc/19/99/76/857199976.db2.gz BIOQYAJBHNFIBQ-KRWDZBQOSA-N 1 0 380.467 3.503 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000112925106 857227862 /nfs/dbraw/zinc/22/78/62/857227862.db2.gz MLVXOQDYUNTRFK-UHFFFAOYSA-N 1 0 391.515 3.941 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCO[C@H](C3CCCCC3)C1)CCC2 ZINC000543575694 862900204 /nfs/dbraw/zinc/90/02/04/862900204.db2.gz ZPQFASMFTYANKH-SFHVURJKSA-N 1 0 387.549 3.718 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC2CCC1CC2 ZINC000906948723 857408022 /nfs/dbraw/zinc/40/80/22/857408022.db2.gz UEBFKQHQOKERDY-MLFGXNJISA-N 1 0 381.520 3.549 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000521014319 857501361 /nfs/dbraw/zinc/50/13/61/857501361.db2.gz QURDYIPFQMVIIR-FQEVSTJZSA-N 1 0 377.532 3.874 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442163132 857552325 /nfs/dbraw/zinc/55/23/25/857552325.db2.gz BGJAHMUMGWFERI-UHFFFAOYSA-N 1 0 384.402 3.843 20 30 GHEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000181573427 862926349 /nfs/dbraw/zinc/92/63/49/862926349.db2.gz OWAKUBPQVPSSQX-UWJYYQICSA-N 1 0 383.517 3.922 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C#N)cc2C)CC1 ZINC000438913240 857625285 /nfs/dbraw/zinc/62/52/85/857625285.db2.gz QULAYQRKWWBCEI-KRWDZBQOSA-N 1 0 394.494 3.639 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1OC ZINC000058879945 857718000 /nfs/dbraw/zinc/71/80/00/857718000.db2.gz MZHLXSRBKSJKJG-UHFFFAOYSA-N 1 0 386.536 3.988 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466004124 857720793 /nfs/dbraw/zinc/72/07/93/857720793.db2.gz IGQARMWNJXHAKF-UHFFFAOYSA-N 1 0 390.531 3.579 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCCCO1 ZINC000594042373 857850636 /nfs/dbraw/zinc/85/06/36/857850636.db2.gz IOCOADBKZWHZEN-RBUKOAKNSA-N 1 0 377.916 3.832 20 30 GHEDRO C=CCn1c(-c2cc(C)cs2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000624862385 857884729 /nfs/dbraw/zinc/88/47/29/857884729.db2.gz WTYDNGZNDRVMRB-SJLPKXTDSA-N 1 0 383.565 3.954 20 30 GHEDRO CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1(C[NH3+])CCC1 ZINC000659314312 857973454 /nfs/dbraw/zinc/97/34/54/857973454.db2.gz VCSKMCWRJUAXPE-UHFFFAOYSA-N 1 0 386.311 3.929 20 30 GHEDRO C=CCN1C(=O)N(CCCC[NH+]2CCC(C)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000761050369 857988689 /nfs/dbraw/zinc/98/86/89/857988689.db2.gz JWFFSHIEEYFDJC-NRFANRHFSA-N 1 0 383.536 3.560 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2OC)CC[N@@H+]1Cc1ccccc1 ZINC000574496363 858057059 /nfs/dbraw/zinc/05/70/59/858057059.db2.gz FKBNYNQBAYSMSO-LJQANCHMSA-N 1 0 378.476 3.695 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000499649975 858066087 /nfs/dbraw/zinc/06/60/87/858066087.db2.gz ZMIVUMINZPCEMY-IRXDYDNUSA-N 1 0 381.289 3.806 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000594389476 858146109 /nfs/dbraw/zinc/14/61/09/858146109.db2.gz JKOPHNHQSUEIAO-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO CC(C)(C)Oc1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c(C(F)(F)F)c1 ZINC000594432635 858176613 /nfs/dbraw/zinc/17/66/13/858176613.db2.gz FNYZSFSOWOLQEB-MRXNPFEDSA-N 1 0 385.430 3.910 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000594433365 858176710 /nfs/dbraw/zinc/17/67/10/858176710.db2.gz ONFWQUVVCHTROQ-LBPRGKRZSA-N 1 0 380.222 3.622 20 30 GHEDRO Cc1cc([C@H]2CCCN2C(=O)[C@@H]([NH3+])CCCCC#N)ccc1Br ZINC000594443763 858178346 /nfs/dbraw/zinc/17/83/46/858178346.db2.gz UHYLTOBZJQGSEC-DLBZAZTESA-N 1 0 378.314 3.832 20 30 GHEDRO Cc1cccc(C)c1OC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594446848 858178892 /nfs/dbraw/zinc/17/88/92/858178892.db2.gz YEMAXHDQRPVGBZ-SFTDATJTSA-N 1 0 379.504 3.951 20 30 GHEDRO COc1ccccc1C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000114725876 858190077 /nfs/dbraw/zinc/19/00/77/858190077.db2.gz NXIXWSSIHUYHCH-OAQYLSRUSA-N 1 0 393.487 3.577 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000442875684 858192661 /nfs/dbraw/zinc/19/26/61/858192661.db2.gz OOTABFQFHYUDMV-UDZFHETQSA-N 1 0 377.204 3.783 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000594506468 858197181 /nfs/dbraw/zinc/19/71/81/858197181.db2.gz SONWOTGKUYRARX-QGZVFWFLSA-N 1 0 381.442 3.911 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000521663655 858197616 /nfs/dbraw/zinc/19/76/16/858197616.db2.gz DIEIDXVUXGYOIQ-ZWKOTPCHSA-N 1 0 392.341 3.645 20 30 GHEDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 ZINC000442891881 858212779 /nfs/dbraw/zinc/21/27/79/858212779.db2.gz OJEYPDPTNHOSHD-VLIAUNLRSA-N 1 0 375.538 3.574 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC2(CCCCC2)O1 ZINC000594613149 858241787 /nfs/dbraw/zinc/24/17/87/858241787.db2.gz AATRWCZFWGXDPA-SFHVURJKSA-N 1 0 379.508 3.782 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594736131 858268891 /nfs/dbraw/zinc/26/88/91/858268891.db2.gz UMCSIZQIVXSUEP-UHFFFAOYSA-N 1 0 390.531 3.925 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001127165915 858298436 /nfs/dbraw/zinc/29/84/36/858298436.db2.gz RCMRFXVIGCUBKA-PMACEKPBSA-N 1 0 378.516 3.915 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H](O)COc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000594918842 858304006 /nfs/dbraw/zinc/30/40/06/858304006.db2.gz TWXKGVKDPNTEOK-SFHVURJKSA-N 1 0 390.405 3.790 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594919201 858304372 /nfs/dbraw/zinc/30/43/72/858304372.db2.gz QHSNHRLGUWAMEC-UHFFFAOYSA-N 1 0 397.544 3.562 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cn2)C[C@@H](C)O1 ZINC000594924600 858306097 /nfs/dbraw/zinc/30/60/97/858306097.db2.gz KDFLSPWALZIPLD-QZTJIDSGSA-N 1 0 376.504 3.540 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C3CCN(C(=O)CCc4ccccc4)CC3)cc2)CC1 ZINC000594927219 858306669 /nfs/dbraw/zinc/30/66/69/858306669.db2.gz ZQZRNJWYBWMFQS-UHFFFAOYSA-N 1 0 387.527 3.955 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)c1 ZINC000594935609 858339124 /nfs/dbraw/zinc/33/91/24/858339124.db2.gz GQUCBAJGWGSEHA-IBGZPJMESA-N 1 0 377.488 3.627 20 30 GHEDRO COC[C@H](C)Oc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000594940969 858340839 /nfs/dbraw/zinc/34/08/39/858340839.db2.gz XBZREPQORFUAQZ-RYHLMMNBSA-N 1 0 395.503 3.847 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]CCCS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000594943535 858341498 /nfs/dbraw/zinc/34/14/98/858341498.db2.gz KRHJGEWPAVOABU-UHFFFAOYSA-N 1 0 388.920 3.849 20 30 GHEDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000594960263 858345755 /nfs/dbraw/zinc/34/57/55/858345755.db2.gz INTNBVSBXJKPDI-YRTUYQHASA-N 1 0 382.529 3.917 20 30 GHEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000595056067 858366242 /nfs/dbraw/zinc/36/62/42/858366242.db2.gz QFQOXAUEGMRBGN-GOSISDBHSA-N 1 0 397.544 3.626 20 30 GHEDRO C=CCCSCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000595061271 858367363 /nfs/dbraw/zinc/36/73/63/858367363.db2.gz ZSBSCAFJYHTMLM-SNVBAGLBSA-N 1 0 383.366 3.601 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000595248915 858451407 /nfs/dbraw/zinc/45/14/07/858451407.db2.gz DAJOIBRNMJDXEP-MRXNPFEDSA-N 1 0 378.314 3.746 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000595258870 858455909 /nfs/dbraw/zinc/45/59/09/858455909.db2.gz FLYVFJNPWBWVMG-SJORKVTESA-N 1 0 378.314 3.744 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)[NH+]1CCCCC1 ZINC000595510935 858549085 /nfs/dbraw/zinc/54/90/85/858549085.db2.gz FSAQDPPICZRAIV-ICSRJNTNSA-N 1 0 384.524 3.557 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)CC2 ZINC000575112831 858568944 /nfs/dbraw/zinc/56/89/44/858568944.db2.gz DQICOOTZTRQNIE-VQIMIIECSA-N 1 0 376.378 3.594 20 30 GHEDRO C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)[N@H+](C)Cc1ccccc1 ZINC000522049067 858570573 /nfs/dbraw/zinc/57/05/73/858570573.db2.gz LAFNHKZRFDMCMT-SFHVURJKSA-N 1 0 396.560 3.611 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)c(-n2nc(-c3ccccc3)nc2CC[NH3+])c1Cl ZINC001168708260 858588670 /nfs/dbraw/zinc/58/86/70/858588670.db2.gz NCNXRHZAJKFPEI-UHFFFAOYSA-N 1 0 393.665 3.662 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC[C@H]21 ZINC000248141846 858614197 /nfs/dbraw/zinc/61/41/97/858614197.db2.gz PRZZDXDYFZSHDT-FYYLOGMGSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c(OC)c1 ZINC000595634897 858625401 /nfs/dbraw/zinc/62/54/01/858625401.db2.gz HQNMXPMAJCALFZ-FQEVSTJZSA-N 1 0 380.488 3.560 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc(C#N)c1 ZINC000595641203 858634511 /nfs/dbraw/zinc/63/45/11/858634511.db2.gz DXKVUXFOKWEGKI-UHFFFAOYSA-N 1 0 399.878 3.836 20 30 GHEDRO CC(C)Oc1ccc(CCNC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000595641083 858634667 /nfs/dbraw/zinc/63/46/67/858634667.db2.gz ZSEPFLBQUMMZDG-UHFFFAOYSA-N 1 0 379.504 3.529 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCc2ccc(C)cc2C1 ZINC000595658336 858640676 /nfs/dbraw/zinc/64/06/76/858640676.db2.gz TXDAZKHUTIVXBX-SFHVURJKSA-N 1 0 377.488 3.697 20 30 GHEDRO CC1CCC(N(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C2CC2)CC1 ZINC000595765733 858664142 /nfs/dbraw/zinc/66/41/42/858664142.db2.gz WSVVECGMMIRICN-UHFFFAOYSA-N 1 0 395.547 3.723 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C#N)c1C ZINC000595778908 858685073 /nfs/dbraw/zinc/68/50/73/858685073.db2.gz VSXKJSNVBBJOHA-HZPDHXFCSA-N 1 0 375.538 3.891 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786930 858688040 /nfs/dbraw/zinc/68/80/40/858688040.db2.gz CPPYZQQTUBLCJY-IRFCIJBXSA-N 1 0 399.535 3.611 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595789738 858688580 /nfs/dbraw/zinc/68/85/80/858688580.db2.gz NNCVBWRTOSZQGV-IRLDBZIGSA-N 1 0 383.536 3.831 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn(-c2ccc(C)cc2)c1C)C(C)C ZINC000522170433 858693096 /nfs/dbraw/zinc/69/30/96/858693096.db2.gz VDFSDFYGAQDXSN-QFIPXVFZSA-N 1 0 380.536 3.918 20 30 GHEDRO CN(c1ccccc1)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000595825696 858699692 /nfs/dbraw/zinc/69/96/92/858699692.db2.gz FLDJXWIRJVYBDT-QGZVFWFLSA-N 1 0 394.544 3.648 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595831869 858702567 /nfs/dbraw/zinc/70/25/67/858702567.db2.gz QDRIPGIFWOQFKU-LEWJYISDSA-N 1 0 380.536 3.624 20 30 GHEDRO CC(C)CC1([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000595831757 858702726 /nfs/dbraw/zinc/70/27/26/858702726.db2.gz RRDLNRGJNZFLTC-KRWDZBQOSA-N 1 0 398.551 3.524 20 30 GHEDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000466208389 858721502 /nfs/dbraw/zinc/72/15/02/858721502.db2.gz OQDKQXKDCHWKLH-HXUWFJFHSA-N 1 0 392.547 3.880 20 30 GHEDRO COc1cc2cc[nH+]c(N3CCCN(c4ccccc4C#N)CC3)c2cc1OC ZINC000596078015 858774895 /nfs/dbraw/zinc/77/48/95/858774895.db2.gz YFZKRYGGMVZQGO-UHFFFAOYSA-N 1 0 388.471 3.840 20 30 GHEDRO N#CC1(NC(=O)C2C3CC4CC(C3)CC2C4)CC[NH+](Cc2ccccc2)CC1 ZINC000482737809 858808658 /nfs/dbraw/zinc/80/86/58/858808658.db2.gz UBRCDXAEAPBDIR-UHFFFAOYSA-N 1 0 377.532 3.733 20 30 GHEDRO C[NH+](C)C1CCC2(CC1)CCN(c1ncc(Br)cc1C#N)CC2 ZINC000596255161 858843946 /nfs/dbraw/zinc/84/39/46/858843946.db2.gz KZOPQXKDBINPJM-UHFFFAOYSA-N 1 0 377.330 3.807 20 30 GHEDRO CCC[N@H+](Cc1cc(F)ccc1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000160399513 858870703 /nfs/dbraw/zinc/87/07/03/858870703.db2.gz VCQRBTRFNZLTHA-UHFFFAOYSA-N 1 0 381.499 3.985 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596435314 858896123 /nfs/dbraw/zinc/89/61/23/858896123.db2.gz DPXLKUFEHUMASU-XMSQKQJNSA-N 1 0 376.504 3.578 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000922971990 858909054 /nfs/dbraw/zinc/90/90/54/858909054.db2.gz QQZFRBQXXZYHMR-LMTLIKQPSA-N 1 0 381.476 3.866 20 30 GHEDRO C[C@H](CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[NH+](C)C ZINC000596701706 859018328 /nfs/dbraw/zinc/01/83/28/859018328.db2.gz YJYQIFKZDLGFEI-QGZVFWFLSA-N 1 0 380.492 3.793 20 30 GHEDRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC[C@@H]1C(F)(F)F ZINC000625857409 859030838 /nfs/dbraw/zinc/03/08/38/859030838.db2.gz LJUSRXRUYMWBNR-WPRPVWTQSA-N 1 0 387.299 3.836 20 30 GHEDRO CCN(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)[C@H]1CC[N@H+](C)C1 ZINC000596900776 859137409 /nfs/dbraw/zinc/13/74/09/859137409.db2.gz WKVPKGWOACYGOT-SFHVURJKSA-N 1 0 394.523 3.599 20 30 GHEDRO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000596987886 859228424 /nfs/dbraw/zinc/22/84/24/859228424.db2.gz PGEXTRUEMGXKQH-LJQANCHMSA-N 1 0 379.504 3.684 20 30 GHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000466385377 859293677 /nfs/dbraw/zinc/29/36/77/859293677.db2.gz DSSFHTVERGFAHV-GFCCVEGCSA-N 1 0 375.250 3.753 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)NC1CC[NH+](Cc3ccc(Cl)cc3)CC1)C2 ZINC000593298591 859314378 /nfs/dbraw/zinc/31/43/78/859314378.db2.gz VRWJCPFRSHFERV-UHFFFAOYSA-N 1 0 394.906 3.901 20 30 GHEDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764285621 859351680 /nfs/dbraw/zinc/35/16/80/859351680.db2.gz XTCGRPVEYSDNHQ-OFNKIYASSA-N 1 0 393.531 3.994 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c1 ZINC000597227531 859362486 /nfs/dbraw/zinc/36/24/86/859362486.db2.gz GDBZFOAYCGFIGM-FQEVSTJZSA-N 1 0 389.499 3.582 20 30 GHEDRO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000597224531 859374853 /nfs/dbraw/zinc/37/48/53/859374853.db2.gz JJAIKRXNLDDKTA-JOCHJYFZSA-N 1 0 386.503 3.569 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000764390604 859422561 /nfs/dbraw/zinc/42/25/61/859422561.db2.gz WWLHEXSPJLWMOT-GOSISDBHSA-N 1 0 391.284 3.912 20 30 GHEDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000474166475 859474585 /nfs/dbraw/zinc/47/45/85/859474585.db2.gz AUGJBPOQSQMUNF-OAHLLOKOSA-N 1 0 390.890 3.836 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C(C)(C)C)cc1 ZINC000474168455 859489924 /nfs/dbraw/zinc/48/99/24/859489924.db2.gz HQKZQSDUXBYWGD-UHFFFAOYSA-N 1 0 387.524 3.572 20 30 GHEDRO C=CCC1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOCC1 ZINC000657633571 859520336 /nfs/dbraw/zinc/52/03/36/859520336.db2.gz QOQZXGOWJHPWHZ-UHFFFAOYSA-N 1 0 376.298 3.850 20 30 GHEDRO CCC(CC)n1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C ZINC000593350167 859522610 /nfs/dbraw/zinc/52/26/10/859522610.db2.gz BHSWGYUOGRBGKU-UHFFFAOYSA-N 1 0 393.535 3.819 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000922303346 859524748 /nfs/dbraw/zinc/52/47/48/859524748.db2.gz CFOMNOFHBGKELP-XLIONFOSSA-N 1 0 398.551 3.810 20 30 GHEDRO CC(C)O[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593350714 859524731 /nfs/dbraw/zinc/52/47/31/859524731.db2.gz ZUSPGIYJMINWLC-QHCPKHFHSA-N 1 0 391.515 3.805 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000626088829 859531353 /nfs/dbraw/zinc/53/13/53/859531353.db2.gz PHBGVZRAUMETJF-UHFFFAOYSA-N 1 0 396.453 3.514 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)c1 ZINC000593353270 859546916 /nfs/dbraw/zinc/54/69/16/859546916.db2.gz IZRFLGBMMIAZRW-UKILVPOCSA-N 1 0 385.511 3.543 20 30 GHEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025300992 859558925 /nfs/dbraw/zinc/55/89/25/859558925.db2.gz VOPNTBDDEYPVTB-OFNKIYASSA-N 1 0 380.488 3.728 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cc(C#N)ccc1F ZINC000499759876 859570782 /nfs/dbraw/zinc/57/07/82/859570782.db2.gz QHKUXZZJKJZSSI-DLBZAZTESA-N 1 0 380.467 3.502 20 30 GHEDRO CC(C)(C)c1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000593356707 859574514 /nfs/dbraw/zinc/57/45/14/859574514.db2.gz ZPHSPONVBZAFGZ-UHFFFAOYSA-N 1 0 382.533 3.707 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1C#N ZINC000611128270 859615407 /nfs/dbraw/zinc/61/54/07/859615407.db2.gz KADPYNIVIXROGN-KNQAVFIVSA-N 1 0 378.472 3.945 20 30 GHEDRO CN(c1ccccc1C=[NH+][N-]c1ncnc2ccsc21)C1CC[NH+](C)CC1 ZINC000764834066 859630987 /nfs/dbraw/zinc/63/09/87/859630987.db2.gz BTLZMERDVFIZOO-UHFFFAOYSA-N 1 0 380.521 3.668 20 30 GHEDRO COc1ccc(CN(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000611209212 859644741 /nfs/dbraw/zinc/64/47/41/859644741.db2.gz OFTUFEMQPBVJTN-CQSZACIVSA-N 1 0 398.532 3.751 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000597591353 859653272 /nfs/dbraw/zinc/65/32/72/859653272.db2.gz XIOFLTUBZSDANP-UHFFFAOYSA-N 1 0 388.475 3.545 20 30 GHEDRO C=CCc1ccc(OCC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c(OC)c1 ZINC000601956202 859659244 /nfs/dbraw/zinc/65/92/44/859659244.db2.gz KOQXPLHSWUXKFD-UHFFFAOYSA-N 1 0 394.515 3.930 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000597649347 859692812 /nfs/dbraw/zinc/69/28/12/859692812.db2.gz UANWEROOCMOCQM-JOCHJYFZSA-N 1 0 381.426 3.575 20 30 GHEDRO C[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000611360734 859727957 /nfs/dbraw/zinc/72/79/57/859727957.db2.gz BMEQZCKQPHTGMK-KRWDZBQOSA-N 1 0 376.504 3.755 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000611387599 859732173 /nfs/dbraw/zinc/73/21/73/859732173.db2.gz DDEVHIAUHIMUHM-GFCCVEGCSA-N 1 0 379.357 3.683 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000611395688 859736860 /nfs/dbraw/zinc/73/68/60/859736860.db2.gz PDFPCXGCOYDBQW-NRFANRHFSA-N 1 0 385.471 3.813 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000611390473 859740507 /nfs/dbraw/zinc/74/05/07/859740507.db2.gz DDUNZROZEQCIAM-QHCPKHFHSA-N 1 0 388.515 3.628 20 30 GHEDRO CN(C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602073410 859754666 /nfs/dbraw/zinc/75/46/66/859754666.db2.gz GDOKEFUJSQXZAE-DYESRHJHSA-N 1 0 396.535 3.540 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000611473323 859773020 /nfs/dbraw/zinc/77/30/20/859773020.db2.gz FIULDYSGHNUWDL-DNQXCXABSA-N 1 0 375.516 3.552 20 30 GHEDRO C#CCC1(O)CC[NH+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000895675429 859779877 /nfs/dbraw/zinc/77/98/77/859779877.db2.gz OWCQGHHTOXWLAS-UHFFFAOYSA-N 1 0 382.891 3.943 20 30 GHEDRO Cc1ccc(F)c(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593412361 859786964 /nfs/dbraw/zinc/78/69/64/859786964.db2.gz PKNWQSURRHVPOH-UHFFFAOYSA-N 1 0 394.494 3.512 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000602376792 859977088 /nfs/dbraw/zinc/97/70/88/859977088.db2.gz ZUSYGGNLIPIARU-DYVFJYSZSA-N 1 0 383.323 3.931 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(C(F)(F)F)s3)C2=O)cc1 ZINC000428855612 860005354 /nfs/dbraw/zinc/00/53/54/860005354.db2.gz HDWZDTBDJJDQMZ-OAHLLOKOSA-N 1 0 379.407 3.924 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c(F)cccc1C#N ZINC000552211996 860015745 /nfs/dbraw/zinc/01/57/45/860015745.db2.gz NQGGDXQMFOTCBD-NRFANRHFSA-N 1 0 379.479 3.657 20 30 GHEDRO COCCC1([NH2+]Cc2csc(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000895867779 860021613 /nfs/dbraw/zinc/02/16/13/860021613.db2.gz WQHAFZFVAWRNBQ-UHFFFAOYSA-N 1 0 379.526 3.516 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000765505457 860024865 /nfs/dbraw/zinc/02/48/65/860024865.db2.gz VDUKRUJHIPJYPH-LIRRHRJNSA-N 1 0 379.378 3.981 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000054223059 860031288 /nfs/dbraw/zinc/03/12/88/860031288.db2.gz ZMQVZBUWNYUSNM-UWJYYQICSA-N 1 0 379.529 3.743 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000602515438 860066561 /nfs/dbraw/zinc/06/65/61/860066561.db2.gz YIMNFDINPWHFFB-QGZVFWFLSA-N 1 0 375.944 3.993 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000593511891 860075387 /nfs/dbraw/zinc/07/53/87/860075387.db2.gz FLBWEVNVWTUOKP-JOCHJYFZSA-N 1 0 392.478 3.818 20 30 GHEDRO C[C@@H]1Cc2ccccc2CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593512781 860081616 /nfs/dbraw/zinc/08/16/16/860081616.db2.gz SOCOXYMIVIQBKR-GOSISDBHSA-N 1 0 388.515 3.679 20 30 GHEDRO Cc1nc(-c2cccnc2)nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593514877 860089916 /nfs/dbraw/zinc/08/99/16/860089916.db2.gz GJGBONJEQHICKK-UHFFFAOYSA-N 1 0 398.514 3.526 20 30 GHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]C3CCC(C#N)CC3)c2)cc1 ZINC000602549896 860125195 /nfs/dbraw/zinc/12/51/95/860125195.db2.gz FINHBIHHSBIPTP-UHFFFAOYSA-N 1 0 399.516 3.668 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387082 881503934 /nfs/dbraw/zinc/50/39/34/881503934.db2.gz PPROEGQEAYBGBD-DJSMFCCRSA-N 1 0 390.531 3.926 20 30 GHEDRO CC(C)[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)[NH+]1CCC(C)CC1 ZINC000154720458 860239668 /nfs/dbraw/zinc/23/96/68/860239668.db2.gz JQXGKLTUEWVNEQ-OAQYLSRUSA-N 1 0 398.551 3.540 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCCN(C(=O)c3ccco3)CC2)CC1 ZINC001170395384 881519319 /nfs/dbraw/zinc/51/93/19/881519319.db2.gz IAKVZROATQYKEI-UHFFFAOYSA-N 1 0 377.488 3.832 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3cccnc3)C1)CCC2 ZINC000602857635 860316238 /nfs/dbraw/zinc/31/62/38/860316238.db2.gz WSXFBNMTXWUYQU-MRXNPFEDSA-N 1 0 380.517 3.712 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000329240947 860318107 /nfs/dbraw/zinc/31/81/07/860318107.db2.gz NCCCTUJCFSRBEC-JOCHJYFZSA-N 1 0 375.472 3.639 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000602875229 860331580 /nfs/dbraw/zinc/33/15/80/860331580.db2.gz XYSIHTMJNGKUHZ-LPHOPBHVSA-N 1 0 388.581 3.539 20 30 GHEDRO N#CC1(CCC[NH+]2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)CCOCC1 ZINC000602877999 860333124 /nfs/dbraw/zinc/33/31/24/860333124.db2.gz NZGQEARKVRWYAP-UHFFFAOYSA-N 1 0 379.508 3.752 20 30 GHEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC001170398973 881532976 /nfs/dbraw/zinc/53/29/76/881532976.db2.gz GNZJEDGYTUENTN-VOBQZIQPSA-N 1 0 386.540 3.679 20 30 GHEDRO C=C(Br)CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000728068056 860363412 /nfs/dbraw/zinc/36/34/12/860363412.db2.gz KNIPOXUILFUHGG-UHFFFAOYSA-N 1 0 380.330 3.626 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000499981275 860369932 /nfs/dbraw/zinc/36/99/32/860369932.db2.gz QKPLOKOXKNESLL-BQCMWAFGSA-N 1 0 389.543 3.881 20 30 GHEDRO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000602955256 860380614 /nfs/dbraw/zinc/38/06/14/860380614.db2.gz HXTFYTDVLSVIJO-ZDUSSCGKSA-N 1 0 397.504 3.672 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000598603878 860431152 /nfs/dbraw/zinc/43/11/52/860431152.db2.gz HKDARJQEUNEYKE-HNNXBMFYSA-N 1 0 381.314 3.593 20 30 GHEDRO COc1cccc(Cl)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000603158684 860515231 /nfs/dbraw/zinc/51/52/31/860515231.db2.gz FUBRZCYAIYNEPE-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO CC(C)([NH3+])c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000904593502 860525054 /nfs/dbraw/zinc/52/50/54/860525054.db2.gz LLOFUTSAWLHMHB-UHFFFAOYSA-N 1 0 396.466 3.966 20 30 GHEDRO C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552428437 860526699 /nfs/dbraw/zinc/52/66/99/860526699.db2.gz BKTSEVFMFPRARW-XLIONFOSSA-N 1 0 391.490 3.756 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000598721459 860528708 /nfs/dbraw/zinc/52/87/08/860528708.db2.gz VQIHXPSLNPYUSG-JOCHJYFZSA-N 1 0 388.515 3.989 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CC2([NH+](C)C)CCC2)cc1C ZINC000474625029 860529053 /nfs/dbraw/zinc/52/90/53/860529053.db2.gz WNIVFWUAUZJGOP-UHFFFAOYSA-N 1 0 393.535 3.637 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000598722902 860529665 /nfs/dbraw/zinc/52/96/65/860529665.db2.gz BQFNHOFEOJRBHJ-GOSISDBHSA-N 1 0 384.351 3.848 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1)C(C)C ZINC000155601611 860553120 /nfs/dbraw/zinc/55/31/20/860553120.db2.gz JFBGUKCXEYFQRZ-UHFFFAOYSA-N 1 0 390.531 3.751 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001170381351 881557825 /nfs/dbraw/zinc/55/78/25/881557825.db2.gz LSOBCQCYNPJFGS-AGYDLCDTSA-N 1 0 386.543 3.849 20 30 GHEDRO CCC(CC)(CNC(=O)c1cnn(CCC#N)c1C)[NH2+][C@H](C)c1ccccc1 ZINC000896295308 860615400 /nfs/dbraw/zinc/61/54/00/860615400.db2.gz OSYPQLUPHDPNDV-QGZVFWFLSA-N 1 0 381.524 3.745 20 30 GHEDRO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](C4CCC(C#N)(c5ccccc5)CC4)C[C@H]3O2)n1 ZINC001170384067 881560994 /nfs/dbraw/zinc/56/09/94/881560994.db2.gz VBFAQGMIXFSJDD-ASNCULNMSA-N 1 0 392.503 3.934 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598961043 860690935 /nfs/dbraw/zinc/69/09/35/860690935.db2.gz XBWPMXNGXNSAKM-UHFFFAOYSA-N 1 0 390.531 3.862 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000098026114 860699973 /nfs/dbraw/zinc/69/99/73/860699973.db2.gz NOMFQELIHSRMTH-OALUTQOASA-N 1 0 398.551 3.743 20 30 GHEDRO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)ncc1Br ZINC000598983802 860716808 /nfs/dbraw/zinc/71/68/08/860716808.db2.gz VLPFPQZXOBAHDF-UHFFFAOYSA-N 1 0 386.293 3.820 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125613978 860724698 /nfs/dbraw/zinc/72/46/98/860724698.db2.gz MQVVWLAINHIJHL-UHFFFAOYSA-N 1 0 394.397 3.567 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OC(F)F)c1 ZINC000125734807 860761954 /nfs/dbraw/zinc/76/19/54/860761954.db2.gz OUERQGXMOZNSNP-UHFFFAOYSA-N 1 0 376.403 3.817 20 30 GHEDRO CCC(F)(F)C(C)(C)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599091302 860790172 /nfs/dbraw/zinc/79/01/72/860790172.db2.gz DWTMICGSCUPGLU-UHFFFAOYSA-N 1 0 392.494 3.893 20 30 GHEDRO C=C(C)COCCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000474817762 860828945 /nfs/dbraw/zinc/82/89/45/860828945.db2.gz KTRUWSANPHVXHK-UHFFFAOYSA-N 1 0 381.520 3.807 20 30 GHEDRO C[NH+](C)CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CCCC1 ZINC000102792529 860857768 /nfs/dbraw/zinc/85/77/68/860857768.db2.gz HXKIANYUPKNXLN-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO N#Cc1ccc(CC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)cn1 ZINC000600065860 860879265 /nfs/dbraw/zinc/87/92/65/860879265.db2.gz FFDQCENUGFQGPE-UHFFFAOYSA-N 1 0 380.517 3.712 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000599184073 860887177 /nfs/dbraw/zinc/88/71/77/860887177.db2.gz XUALKYYZHYQJQA-UHFFFAOYSA-N 1 0 382.483 3.635 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1O ZINC000593695331 860914917 /nfs/dbraw/zinc/91/49/17/860914917.db2.gz KZCRXTWRWGTWBF-GOSISDBHSA-N 1 0 393.531 3.848 20 30 GHEDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1OC ZINC000593702327 860928397 /nfs/dbraw/zinc/92/83/97/860928397.db2.gz LNMPMFQIJNKPKN-SFHVURJKSA-N 1 0 393.531 3.761 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NCC[NH+]3CCCCCC3)s2)cc1 ZINC000603648211 860951593 /nfs/dbraw/zinc/95/15/93/860951593.db2.gz BLXRQOBUGRTROX-UHFFFAOYSA-N 1 0 383.521 3.603 20 30 GHEDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000555793617 860990636 /nfs/dbraw/zinc/99/06/36/860990636.db2.gz FLRDXXTXCCCOBW-GOSISDBHSA-N 1 0 389.565 3.964 20 30 GHEDRO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000593721443 861008956 /nfs/dbraw/zinc/00/89/56/861008956.db2.gz MRCOOVYLFDWXAI-INIZCTEOSA-N 1 0 398.576 3.827 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1OC ZINC000623420671 861040399 /nfs/dbraw/zinc/04/03/99/861040399.db2.gz LXJLRIDHBRZPGJ-CVEARBPZSA-N 1 0 380.916 3.650 20 30 GHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000599300411 861042694 /nfs/dbraw/zinc/04/26/94/861042694.db2.gz XYULBPOPYRKENV-NJDAHSKKSA-N 1 0 392.584 3.898 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[N@@H+]1CCC[C@H](C)C1 ZINC000603689330 861046843 /nfs/dbraw/zinc/04/68/43/861046843.db2.gz HUAUHCPAPHSZHD-IRXDYDNUSA-N 1 0 393.491 3.987 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000022198571 861056161 /nfs/dbraw/zinc/05/61/61/861056161.db2.gz HRBJJPGKSBBQIJ-UHFFFAOYSA-N 1 0 399.516 3.586 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000603701055 861061234 /nfs/dbraw/zinc/06/12/34/861061234.db2.gz PUKXLEMXTBRZRY-RTBURBONSA-N 1 0 391.515 3.731 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000599325049 861065381 /nfs/dbraw/zinc/06/53/81/861065381.db2.gz DRIKMFDKEGMFLQ-QGZVFWFLSA-N 1 0 376.378 3.596 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599330800 861069947 /nfs/dbraw/zinc/06/99/47/861069947.db2.gz OWMIMOFJYGWYIP-WIYYLYMNSA-N 1 0 396.535 3.825 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CCOCC1 ZINC000599332326 861073676 /nfs/dbraw/zinc/07/36/76/861073676.db2.gz SRFKWDIUUCYPEM-HSZRJFAPSA-N 1 0 391.515 3.784 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730432589 861116131 /nfs/dbraw/zinc/11/61/31/861116131.db2.gz MHUJQPDWIWEABI-MAUKXSAKSA-N 1 0 386.430 3.852 20 30 GHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)COc3ccccc3C#N)oc21 ZINC000599358807 861122294 /nfs/dbraw/zinc/12/22/94/861122294.db2.gz LXRVMJVYTSOLFG-QAPCUYQASA-N 1 0 380.444 3.794 20 30 GHEDRO N#Cc1ccc2ncc(CN3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)n2c1 ZINC000537628873 881617889 /nfs/dbraw/zinc/61/78/89/881617889.db2.gz IPHCHBNOIWFANJ-XMMPIXPASA-N 1 0 385.515 3.694 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CC3(C#N)CCCCC3)C2)ccn1 ZINC000856645963 881618759 /nfs/dbraw/zinc/61/87/59/881618759.db2.gz NULZVSJEZHNVFI-NRFANRHFSA-N 1 0 398.551 3.766 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)CC1 ZINC000730550032 861163397 /nfs/dbraw/zinc/16/33/97/861163397.db2.gz SJLHWUSJMSROQC-UHFFFAOYSA-N 1 0 386.499 3.985 20 30 GHEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000161693320 861170461 /nfs/dbraw/zinc/17/04/61/861170461.db2.gz FINROAZAUKGWSU-SFHVURJKSA-N 1 0 391.519 3.546 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(F)c(Br)c1 ZINC000599428859 861171593 /nfs/dbraw/zinc/17/15/93/861171593.db2.gz SHGMOHVNVCNXNZ-SWLSCSKDSA-N 1 0 393.256 3.550 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000329234404 861180495 /nfs/dbraw/zinc/18/04/95/861180495.db2.gz HTBNZJPUIAORBC-DOTOQJQBSA-N 1 0 392.931 3.826 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000499211232 881624088 /nfs/dbraw/zinc/62/40/88/881624088.db2.gz MPGHHFRRXJSGQR-LJQANCHMSA-N 1 0 375.561 3.530 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000733851654 863217992 /nfs/dbraw/zinc/21/79/92/863217992.db2.gz GGQBMZHFZHMWEK-HXUWFJFHSA-N 1 0 384.524 3.527 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000733851236 863218145 /nfs/dbraw/zinc/21/81/45/863218145.db2.gz ZQTHRHSWAOLNLU-WOJBJXKFSA-N 1 0 384.524 3.527 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262374497 863318680 /nfs/dbraw/zinc/31/86/80/863318680.db2.gz JFJOSVLDYVSRGS-VNXMGFANSA-N 1 0 399.579 3.831 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508462078 863393821 /nfs/dbraw/zinc/39/38/21/863393821.db2.gz SDJBRTJZFGBHCT-UHFFFAOYSA-N 1 0 383.540 3.627 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CCCOC1 ZINC000593066846 863394195 /nfs/dbraw/zinc/39/41/95/863394195.db2.gz GURJDVIOPPQRIW-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO CCCc1c(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000439687089 863424434 /nfs/dbraw/zinc/42/44/34/863424434.db2.gz VMFFPGKZHBGORV-MRXNPFEDSA-N 1 0 396.539 3.794 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000062502099 863481551 /nfs/dbraw/zinc/48/15/51/863481551.db2.gz CXNPLGUDNMDTJL-OAHLLOKOSA-N 1 0 386.446 3.671 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000439696107 863490808 /nfs/dbraw/zinc/49/08/08/863490808.db2.gz MJDUDAFGNUDQMK-HXUWFJFHSA-N 1 0 392.503 3.986 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000593985232 863632232 /nfs/dbraw/zinc/63/22/32/863632232.db2.gz VPXJWKDEBLHOTB-UXHICEINSA-N 1 0 375.516 3.860 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccc(Br)cc3)CCC2)cc1 ZINC000594031420 863796723 /nfs/dbraw/zinc/79/67/23/863796723.db2.gz FNKBKHYUMMGWHM-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO N#CCOc1ccc(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000734276741 864114239 /nfs/dbraw/zinc/11/42/39/864114239.db2.gz REXGQERQDCXSHV-JOCHJYFZSA-N 1 0 392.503 3.615 20 30 GHEDRO COc1ccccc1NC(=S)NN=C1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000734363171 864176913 /nfs/dbraw/zinc/17/69/13/864176913.db2.gz WCGRJLHLHFBORB-INIZCTEOSA-N 1 0 382.533 3.880 20 30 GHEDRO COc1ccc(CNC(=S)NN=C2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000734363074 864177465 /nfs/dbraw/zinc/17/74/65/864177465.db2.gz FQXSPIZECBCQNA-QGZVFWFLSA-N 1 0 396.560 3.557 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1C#N ZINC000554363386 864200876 /nfs/dbraw/zinc/20/08/76/864200876.db2.gz LCCWCIVFFYPBNK-FQEVSTJZSA-N 1 0 397.567 3.589 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1F ZINC000186169554 864415233 /nfs/dbraw/zinc/41/52/33/864415233.db2.gz UCALVBOJQPJCRU-UHFFFAOYSA-N 1 0 379.479 3.843 20 30 GHEDRO C#CC[N@@H+](CCC(=O)NCCCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000734836827 864469577 /nfs/dbraw/zinc/46/95/77/864469577.db2.gz FCMHNSHDRJWJBM-QGZVFWFLSA-N 1 0 393.325 3.514 20 30 GHEDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000475212045 864580452 /nfs/dbraw/zinc/58/04/52/864580452.db2.gz SQQARSZNTOCDMG-UHFFFAOYSA-N 1 0 378.519 3.514 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCc3cccc(C#N)c3)cc2)C1 ZINC000554586609 864584799 /nfs/dbraw/zinc/58/47/99/864584799.db2.gz MULHCKDIWVEVGF-IBGZPJMESA-N 1 0 390.531 3.832 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000554609691 864605895 /nfs/dbraw/zinc/60/58/95/864605895.db2.gz RACAFZOMEVECFX-IBGZPJMESA-N 1 0 390.535 3.601 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H]([NH+](CC)CC)C2)c1=S ZINC000173463679 864750092 /nfs/dbraw/zinc/75/00/92/864750092.db2.gz PTSOSUVQLSROPR-IBGZPJMESA-N 1 0 385.581 3.564 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1C ZINC000735491160 864812632 /nfs/dbraw/zinc/81/26/32/864812632.db2.gz AVFHAPCWIKZFJA-FUPPJEDESA-N 1 0 396.579 3.887 20 30 GHEDRO C[C@](CO)([NH2+]CCCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000735494504 864830815 /nfs/dbraw/zinc/83/08/15/864830815.db2.gz YTZBTLRLLKRIQB-LJQANCHMSA-N 1 0 378.394 3.843 20 30 GHEDRO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000792931340 881821226 /nfs/dbraw/zinc/82/12/26/881821226.db2.gz REKXCUXFXNAZAO-UHFFFAOYSA-N 1 0 380.492 3.523 20 30 GHEDRO C=CCn1c(N2CCC([NH2+]C(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000508474984 864972120 /nfs/dbraw/zinc/97/21/20/864972120.db2.gz XGGRAEJARMKMEY-UHFFFAOYSA-N 1 0 391.466 3.559 20 30 GHEDRO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)c(C)s1)N1CC[C@H](COC)C1 ZINC000262486432 864978282 /nfs/dbraw/zinc/97/82/82/864978282.db2.gz SPROUZFKXQXDIM-AWEZNQCLSA-N 1 0 392.956 3.816 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480622276 864989322 /nfs/dbraw/zinc/98/93/22/864989322.db2.gz LMTPRZNMTFIXRI-XXBNENTESA-N 1 0 395.572 3.843 20 30 GHEDRO CC[NH+](CC)CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000101766164 865049546 /nfs/dbraw/zinc/04/95/46/865049546.db2.gz PKTBIUIANQLZPC-UHFFFAOYSA-N 1 0 382.483 3.751 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000173791349 865074659 /nfs/dbraw/zinc/07/46/59/865074659.db2.gz MRTIRPQKYPSJMC-ROUUACIJSA-N 1 0 387.499 3.956 20 30 GHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480704461 865119421 /nfs/dbraw/zinc/11/94/21/865119421.db2.gz QGBURPHZVGNFOC-YOEHRIQHSA-N 1 0 392.341 3.838 20 30 GHEDRO CCN(CC(=O)Nc1ccccc1SCC#N)C[C@H](O)c1ccc(C)cc1 ZINC000173834046 865144553 /nfs/dbraw/zinc/14/45/53/865144553.db2.gz XRXGVUOEWGQBDR-IBGZPJMESA-N 1 0 383.517 3.605 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC000843804736 865154597 /nfs/dbraw/zinc/15/45/97/865154597.db2.gz ZADJPERCZIQDQR-UHFFFAOYSA-N 1 0 375.246 3.689 20 30 GHEDRO C=CCCC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000736622867 865249260 /nfs/dbraw/zinc/24/92/60/865249260.db2.gz FCCMLIJYWDVHJC-UHFFFAOYSA-N 1 0 395.459 3.504 20 30 GHEDRO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508478458 865319727 /nfs/dbraw/zinc/31/97/27/865319727.db2.gz RVLCMGNSZIIASC-HXUWFJFHSA-N 1 0 399.539 3.532 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000555007533 865327557 /nfs/dbraw/zinc/32/75/57/865327557.db2.gz NCZHQATXPQWKBO-FQEVSTJZSA-N 1 0 379.464 3.549 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000063831329 865417825 /nfs/dbraw/zinc/41/78/25/865417825.db2.gz YNFCQLNHMDYBEF-GASCZTMLSA-N 1 0 386.565 3.650 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594236692 865549178 /nfs/dbraw/zinc/54/91/78/865549178.db2.gz ONYIJMYKDUIVAW-SGXKBVARSA-N 1 0 376.504 3.926 20 30 GHEDRO N#CC1(NC(=O)c2coc3cc(F)ccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000476544772 881883319 /nfs/dbraw/zinc/88/33/19/881883319.db2.gz JHDZDTUAXGPZEZ-UHFFFAOYSA-N 1 0 377.419 3.860 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000555253052 865765882 /nfs/dbraw/zinc/76/58/82/865765882.db2.gz WDSHJTYMENDHNJ-HXUWFJFHSA-N 1 0 396.583 3.808 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000555263399 865797044 /nfs/dbraw/zinc/79/70/44/865797044.db2.gz AQKQWNWWBJSJSQ-HXUWFJFHSA-N 1 0 378.524 3.779 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2)s1 ZINC000740049559 865836714 /nfs/dbraw/zinc/83/67/14/865836714.db2.gz XARCVXDGDLPFJC-RBUKOAKNSA-N 1 0 380.517 3.713 20 30 GHEDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)c1 ZINC000740012188 865844752 /nfs/dbraw/zinc/84/47/52/865844752.db2.gz ZWELJDCEOAJMLG-UHFFFAOYSA-N 1 0 397.525 3.948 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555292534 865858232 /nfs/dbraw/zinc/85/82/32/865858232.db2.gz MPXXDZJUMOXEDL-FPOVZHCZSA-N 1 0 393.535 3.595 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2cc(F)ccc2N2CCOCC2)c(O)c1 ZINC000740763832 866005670 /nfs/dbraw/zinc/00/56/70/866005670.db2.gz QWWJCSIJCWTAOM-BUVRLJJBSA-N 1 0 385.483 3.833 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000545693642 866011622 /nfs/dbraw/zinc/01/16/22/866011622.db2.gz CTAAASCRDXNKJU-HNNXBMFYSA-N 1 0 378.432 3.689 20 30 GHEDRO CN1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000456026740 866035360 /nfs/dbraw/zinc/03/53/60/866035360.db2.gz XEHBBIZSSZCWGY-RTWAWAEBSA-N 1 0 397.469 3.967 20 30 GHEDRO [NH3+][C@H]1CCCN(c2cc(NCC#Cc3ccccc3)nc(Oc3ccccc3)n2)C1 ZINC001170425838 881944059 /nfs/dbraw/zinc/94/40/59/881944059.db2.gz HBAIFCAUSZHLGX-FQEVSTJZSA-N 1 0 399.498 3.660 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)CCc3ccc(C#N)cc3)CC[N@@H+]2C)cc1 ZINC000741122667 866245928 /nfs/dbraw/zinc/24/59/28/866245928.db2.gz DHYORPCPBHPEOR-OFNKIYASSA-N 1 0 378.472 3.736 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508825909 866305875 /nfs/dbraw/zinc/30/58/75/866305875.db2.gz LWVGXIPVUVGYSH-MRXNPFEDSA-N 1 0 389.906 3.988 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCCC(=O)Nc3ccccc3C#N)ccc21 ZINC000456266245 866329834 /nfs/dbraw/zinc/32/98/34/866329834.db2.gz HZEOIOIBCHIZEI-OAQYLSRUSA-N 1 0 390.487 3.855 20 30 GHEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 ZINC000303775859 866330936 /nfs/dbraw/zinc/33/09/36/866330936.db2.gz HEYCEFVWCQHHBQ-MRXNPFEDSA-N 1 0 384.377 3.754 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000552851694 866348105 /nfs/dbraw/zinc/34/81/05/866348105.db2.gz MUWFTMGNOBMNHI-FQEVSTJZSA-N 1 0 390.531 3.656 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000190610199 881973364 /nfs/dbraw/zinc/97/33/64/881973364.db2.gz OFDWXWUZHSFNSD-KUHUBIRLSA-N 1 0 385.414 3.611 20 30 GHEDRO CC1CC[NH+]([C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)c2cccs2)CC1 ZINC000552911111 866446014 /nfs/dbraw/zinc/44/60/14/866446014.db2.gz LGRZRCNXXAXJNR-KRWDZBQOSA-N 1 0 385.493 3.995 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCS(=O)(=O)C(C)(C)C)cc1 ZINC000304030769 866449589 /nfs/dbraw/zinc/44/95/89/866449589.db2.gz XGJWJWISYZLOKL-UHFFFAOYSA-N 1 0 387.549 3.766 20 30 GHEDRO Cc1cccn2cc(CCNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)nc12 ZINC000304471777 866498132 /nfs/dbraw/zinc/49/81/32/866498132.db2.gz DWMWPWIDOWVGTI-UHFFFAOYSA-N 1 0 377.370 3.511 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000741508505 866555992 /nfs/dbraw/zinc/55/59/92/866555992.db2.gz LITOWZOLICVNMP-UHFFFAOYSA-N 1 0 397.519 3.789 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000741641485 866665934 /nfs/dbraw/zinc/66/59/34/866665934.db2.gz WEQFBPVPFSGWOI-UHFFFAOYSA-N 1 0 395.478 3.620 20 30 GHEDRO C=CCc1cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc(OC)c1OC ZINC000620307845 866667676 /nfs/dbraw/zinc/66/76/76/866667676.db2.gz BCAJQYKBXNYOOI-HLIPFELVSA-N 1 0 386.536 3.910 20 30 GHEDRO C=C(CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000478807140 866678123 /nfs/dbraw/zinc/67/81/23/866678123.db2.gz OQWRDHFUIUJVFA-PMACEKPBSA-N 1 0 393.531 3.808 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000523133561 866706585 /nfs/dbraw/zinc/70/65/85/866706585.db2.gz JVKPAZFPEFFISR-OAQYLSRUSA-N 1 0 377.488 3.549 20 30 GHEDRO C#CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000741677758 866716801 /nfs/dbraw/zinc/71/68/01/866716801.db2.gz ZNMLAFGGPYQXDA-SIKLNZKXSA-N 1 0 376.500 3.996 20 30 GHEDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000534427735 866743805 /nfs/dbraw/zinc/74/38/05/866743805.db2.gz UEEOWSPHXRZUIC-QGZVFWFLSA-N 1 0 383.923 3.981 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(-n2cccn2)c1 ZINC000183583403 866875811 /nfs/dbraw/zinc/87/58/11/866875811.db2.gz PZIUXSQNBCIGRM-AWEZNQCLSA-N 1 0 379.851 3.687 20 30 GHEDRO C=C(C)[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccc(F)c(F)c1 ZINC000478920723 866882308 /nfs/dbraw/zinc/88/23/08/866882308.db2.gz SICFZGFLHQEKRT-QFIPXVFZSA-N 1 0 399.485 3.759 20 30 GHEDRO FC(F)(F)c1ccn(C2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)n1 ZINC000189876636 882031077 /nfs/dbraw/zinc/03/10/77/882031077.db2.gz RVELBUFJVYAXGA-UHFFFAOYSA-N 1 0 395.294 3.753 20 30 GHEDRO CC[N@H+](C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000553208532 866966409 /nfs/dbraw/zinc/96/64/09/866966409.db2.gz MPLVOARYFINXKI-QFIPXVFZSA-N 1 0 395.478 3.760 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)c2ccccc2Oc2ccccc2C#N)CCSC1 ZINC000478999514 866999565 /nfs/dbraw/zinc/99/95/65/866999565.db2.gz VRJJDWTVADNGOP-OAQYLSRUSA-N 1 0 381.501 3.518 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNc3ccc(C#N)cc3)cc2)C1 ZINC000050031938 882045222 /nfs/dbraw/zinc/04/52/22/882045222.db2.gz SDAKJQRJBVTNTD-SFHVURJKSA-N 1 0 376.504 3.518 20 30 GHEDRO C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508505532 867115356 /nfs/dbraw/zinc/11/53/56/867115356.db2.gz VMPZSXGHSXATCD-HNNXBMFYSA-N 1 0 376.369 3.721 20 30 GHEDRO CCC[N@H+](CC)CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553366552 867273471 /nfs/dbraw/zinc/27/34/71/867273471.db2.gz VRVZGUMFHCHVEQ-UHFFFAOYSA-N 1 0 390.959 3.666 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000544394864 867452998 /nfs/dbraw/zinc/45/29/98/867452998.db2.gz UOBXPHOFPPCWIY-UHFFFAOYSA-N 1 0 381.451 3.855 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000479284759 867483712 /nfs/dbraw/zinc/48/37/12/867483712.db2.gz MTFTYQCROWXFTN-RTBURBONSA-N 1 0 375.561 3.815 20 30 GHEDRO C=C(C)CNC(=S)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000743063172 867811875 /nfs/dbraw/zinc/81/18/75/867811875.db2.gz ZKTLYOCWWUOLAR-KRWDZBQOSA-N 1 0 385.499 3.823 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000155228534 867815437 /nfs/dbraw/zinc/81/54/37/867815437.db2.gz VFCDJJGCXJJFSY-HKUYNNGSSA-N 1 0 395.478 3.959 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000743198130 867947205 /nfs/dbraw/zinc/94/72/05/867947205.db2.gz LWTVUCUUQWGFFB-SFHVURJKSA-N 1 0 395.478 3.966 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000743198700 867947403 /nfs/dbraw/zinc/94/74/03/867947403.db2.gz WSJGNFUIRSUEKS-UHFFFAOYSA-N 1 0 395.478 3.966 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)CC1 ZINC000171718298 882155711 /nfs/dbraw/zinc/15/57/11/882155711.db2.gz TVAAULIENSWYKO-UHFFFAOYSA-N 1 0 397.567 3.998 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H](C[NH+](CC)CC)C2)c1=S ZINC000743388638 868142176 /nfs/dbraw/zinc/14/21/76/868142176.db2.gz VAJOKEWACKUVBN-HXUWFJFHSA-N 1 0 399.608 3.812 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCOC2)O1 ZINC000475627146 868392001 /nfs/dbraw/zinc/39/20/01/868392001.db2.gz ONHFNHILZMONCD-WZONZLPQSA-N 1 0 378.472 3.517 20 30 GHEDRO COc1cc2c(cc1C[NH2+][C@@H]1CCCN(c3ccc(C#N)cc3F)C1)O[C@H](C)C2 ZINC000553901572 868417838 /nfs/dbraw/zinc/41/78/38/868417838.db2.gz MSXOKLCWMIGQNT-DNVCBOLYSA-N 1 0 395.478 3.788 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000553912802 868452110 /nfs/dbraw/zinc/45/21/10/868452110.db2.gz KCUDXCSQLBQVQC-QHCPKHFHSA-N 1 0 399.506 3.975 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1C#N ZINC000440807000 868648316 /nfs/dbraw/zinc/64/83/16/868648316.db2.gz HDXWAZAWTLDOBO-QGZVFWFLSA-N 1 0 392.503 3.674 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(CC#N)cc2)CC1 ZINC000535409983 868693459 /nfs/dbraw/zinc/69/34/59/868693459.db2.gz AHRAUCIBPBWQBC-KRWDZBQOSA-N 1 0 394.494 3.525 20 30 GHEDRO C[NH+]=C(NCc1cc(Cl)ccc1OC(F)F)N1CCC2(C1)CCOCC2 ZINC000262787476 882230988 /nfs/dbraw/zinc/23/09/88/882230988.db2.gz MWIWKHOBZOLCRX-UHFFFAOYSA-N 1 0 387.858 3.519 20 30 GHEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000262792312 882233827 /nfs/dbraw/zinc/23/38/27/882233827.db2.gz KYSFQSJWKOLKLY-UHFFFAOYSA-N 1 0 380.540 3.699 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669816903 868924028 /nfs/dbraw/zinc/92/40/28/868924028.db2.gz IZRDPZXWODYZPS-LJQANCHMSA-N 1 0 377.492 3.743 20 30 GHEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000539423142 869102805 /nfs/dbraw/zinc/10/28/05/869102805.db2.gz CIFFSOQQMZFZIC-JSNMRZPZSA-N 1 0 388.920 3.972 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)cc1 ZINC000524520985 869220194 /nfs/dbraw/zinc/22/01/94/869220194.db2.gz MHBUXPGHINUDLY-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 ZINC000181914379 869229468 /nfs/dbraw/zinc/22/94/68/869229468.db2.gz XWTPJQDZIVQEEF-HNNXBMFYSA-N 1 0 386.377 3.868 20 30 GHEDRO C=CCc1cc(CN2CCC(n3c4ccccc4[nH]c3=O)CC2)cc(OC)c1O ZINC000121799097 882286177 /nfs/dbraw/zinc/28/61/77/882286177.db2.gz ABCGTCUWKWRQIN-UHFFFAOYSA-N 1 0 393.487 3.609 20 30 GHEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508858434 869572387 /nfs/dbraw/zinc/57/23/87/869572387.db2.gz RYYOJWKHKJAALV-IBGZPJMESA-N 1 0 385.581 3.841 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000462555141 869670443 /nfs/dbraw/zinc/67/04/43/869670443.db2.gz SAZBQFKZVYGDQT-SFHVURJKSA-N 1 0 376.504 3.831 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[NH+]2CCCC2)cc1 ZINC000539751425 869694842 /nfs/dbraw/zinc/69/48/42/869694842.db2.gz MORUBRSODXZFRJ-FQEVSTJZSA-N 1 0 383.879 3.787 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](CCc2cccs2)CC1 ZINC000462790001 870084444 /nfs/dbraw/zinc/08/44/44/870084444.db2.gz HXDDAORNJJIMGG-UHFFFAOYSA-N 1 0 380.492 3.980 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000617585458 870469269 /nfs/dbraw/zinc/46/92/69/870469269.db2.gz ICANWCVLUYESJG-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO C=CCN1CC[C@@H]([N@H+]2CCN(c3cccc(C(F)(F)F)c3)C[C@H]2CCC)C1=O ZINC001192537583 870498569 /nfs/dbraw/zinc/49/85/69/870498569.db2.gz UTTOMOUUNGGJNM-RTBURBONSA-N 1 0 395.469 3.783 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000141817213 870576970 /nfs/dbraw/zinc/57/69/70/870576970.db2.gz IQQCUYUPCNCFNJ-GOSISDBHSA-N 1 0 375.582 3.602 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000525395747 870608443 /nfs/dbraw/zinc/60/84/43/870608443.db2.gz DTPFAVNLKKUQJX-WMZOPIPTSA-N 1 0 381.476 3.675 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC001192757678 870673729 /nfs/dbraw/zinc/67/37/29/870673729.db2.gz MFXMJJSOJOFHFK-IBGZPJMESA-N 1 0 380.536 3.609 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000540178376 870693388 /nfs/dbraw/zinc/69/33/88/870693388.db2.gz ARBTVVBKYCYLRE-UHFFFAOYSA-N 1 0 390.531 3.897 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269583051 882435142 /nfs/dbraw/zinc/43/51/42/882435142.db2.gz BVSNNONSFLRJSL-AWEZNQCLSA-N 1 0 383.883 3.954 20 30 GHEDRO C=CCOc1cccc(C[NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)c1 ZINC000195422823 882435442 /nfs/dbraw/zinc/43/54/42/882435442.db2.gz PKDRHIVTTTUQNJ-UHFFFAOYSA-N 1 0 394.515 3.583 20 30 GHEDRO CN(Cc1cc(Cl)ccc1OCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000746458601 870757308 /nfs/dbraw/zinc/75/73/08/870757308.db2.gz QUSHYJULPFHPQU-UHFFFAOYSA-N 1 0 398.938 3.776 20 30 GHEDRO C[N@H+](CCCOc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000029854916 870784165 /nfs/dbraw/zinc/78/41/65/870784165.db2.gz VAMZVUIABLGDAI-UHFFFAOYSA-N 1 0 383.517 3.838 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(C#N)c1C ZINC000181379496 870945628 /nfs/dbraw/zinc/94/56/28/870945628.db2.gz LOAXKEGLMFHXSS-CQSZACIVSA-N 1 0 396.516 3.653 20 30 GHEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CN1C(=O)OC(C)(C)C ZINC001168879281 870966653 /nfs/dbraw/zinc/96/66/53/870966653.db2.gz GNUHBULJBDCJQT-POAQFYNOSA-N 1 0 385.508 3.799 20 30 GHEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000540323358 871016069 /nfs/dbraw/zinc/01/60/69/871016069.db2.gz GSZWIUZPVGEZKN-LBPRGKRZSA-N 1 0 395.253 3.892 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943936 871028940 /nfs/dbraw/zinc/02/89/40/871028940.db2.gz GDJCUMDVONFCPC-XUZZJYLKSA-N 1 0 388.511 3.809 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccsc1 ZINC000429714001 871032311 /nfs/dbraw/zinc/03/23/11/871032311.db2.gz FGKYCSXRJFEKNH-IBGZPJMESA-N 1 0 393.516 3.558 20 30 GHEDRO Cc1nc(CC[NH3+])nn1-c1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001168992251 871073499 /nfs/dbraw/zinc/07/34/99/871073499.db2.gz QBELZDZFXKJBHA-UHFFFAOYSA-N 1 0 382.471 3.641 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](CCC)CC1 ZINC000508871833 871158835 /nfs/dbraw/zinc/15/88/35/871158835.db2.gz GOXWMBJSLTVDEN-LJQANCHMSA-N 1 0 383.540 3.753 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000463213759 871161460 /nfs/dbraw/zinc/16/14/60/871161460.db2.gz NWFGVLQZFMZORN-IFPLKCGESA-N 1 0 387.564 3.806 20 30 GHEDRO CC(C)[C@@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000461903471 871208492 /nfs/dbraw/zinc/20/84/92/871208492.db2.gz ULDBCDCISZREKA-WZONZLPQSA-N 1 0 375.516 3.861 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1OC ZINC000623563450 871289166 /nfs/dbraw/zinc/28/91/66/871289166.db2.gz YJULBMKKODRTCV-QGZVFWFLSA-N 1 0 386.879 3.591 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000181623883 871291993 /nfs/dbraw/zinc/29/19/93/871291993.db2.gz NWFOCLSVEYYDSJ-DEOSSOPVSA-N 1 0 376.548 3.724 20 30 GHEDRO Cc1nc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)cc1C#N ZINC000461941746 871326395 /nfs/dbraw/zinc/32/63/95/871326395.db2.gz MRRHPVHFGCJSCT-HUUCEWRRSA-N 1 0 376.932 3.631 20 30 GHEDRO CC(C)C[N@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@H]1CCCc2cccnc21 ZINC000766633530 871336350 /nfs/dbraw/zinc/33/63/50/871336350.db2.gz GJOCVZXAEOQZQE-NRFANRHFSA-N 1 0 376.504 3.597 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463270653 871337710 /nfs/dbraw/zinc/33/77/10/871337710.db2.gz YQKZZPCSDUHHFO-AUSIDOKSSA-N 1 0 390.531 3.999 20 30 GHEDRO Cn1cc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C(C)(C)C)cn1 ZINC000540476622 871358025 /nfs/dbraw/zinc/35/80/25/871358025.db2.gz IHQUGFPMSOVHBP-LJQANCHMSA-N 1 0 387.915 3.697 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2nc(Cl)cnc2C#N)cc1 ZINC001156295075 871408700 /nfs/dbraw/zinc/40/87/00/871408700.db2.gz VZYMCAHYXPHBRF-MRXNPFEDSA-N 1 0 385.899 3.501 20 30 GHEDRO COc1cc(F)c(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001193986269 871419362 /nfs/dbraw/zinc/41/93/62/871419362.db2.gz DODIDQHKZQBHNN-QAQDUYKDSA-N 1 0 399.441 3.757 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc(C#N)c1 ZINC000462032469 871512776 /nfs/dbraw/zinc/51/27/76/871512776.db2.gz QSUBIYNFZFQWGL-KRWDZBQOSA-N 1 0 379.529 3.892 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC001194191761 871548064 /nfs/dbraw/zinc/54/80/64/871548064.db2.gz OOGMQLSRROBBPT-DZFGPLHGSA-N 1 0 386.561 3.999 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(OC(F)F)c1 ZINC000463441295 871805223 /nfs/dbraw/zinc/80/52/23/871805223.db2.gz IABDPBNGEMYQAU-QFIPXVFZSA-N 1 0 386.442 3.977 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCN(c4ccccc4F)C3)CC2)cc1 ZINC000182089448 871819650 /nfs/dbraw/zinc/81/96/50/871819650.db2.gz ACRXIZDGVCKBSN-QFIPXVFZSA-N 1 0 392.522 3.920 20 30 GHEDRO C[C@@H](CCc1cccc(F)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000463490809 871878169 /nfs/dbraw/zinc/87/81/69/871878169.db2.gz MWDHJUKXJSYODD-SFHVURJKSA-N 1 0 381.495 3.856 20 30 GHEDRO CC[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447589899 871894699 /nfs/dbraw/zinc/89/46/99/871894699.db2.gz ZKDWVUALLFECHC-HSZRJFAPSA-N 1 0 390.531 3.728 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccccc1CC ZINC000022686388 871908504 /nfs/dbraw/zinc/90/85/04/871908504.db2.gz DXPRVXJTAVHBID-UHFFFAOYSA-O 1 0 392.342 3.847 20 30 GHEDRO Cc1[nH]c(=O)c(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1Cl ZINC001194712027 871911139 /nfs/dbraw/zinc/91/11/39/871911139.db2.gz UJXQGSSLMMBGTH-QAQDUYKDSA-N 1 0 398.894 3.533 20 30 GHEDRO CCCC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000182143341 871914026 /nfs/dbraw/zinc/91/40/26/871914026.db2.gz BKPYZIDFEPYQDB-OAQYLSRUSA-N 1 0 386.517 3.862 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccsc1 ZINC000618797767 872004475 /nfs/dbraw/zinc/00/44/75/872004475.db2.gz UTMNZVRNCZXIOI-VQTJNVASSA-N 1 0 382.533 3.989 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000618797217 872005541 /nfs/dbraw/zinc/00/55/41/872005541.db2.gz GJOATJRAFOMFEU-WOJBJXKFSA-N 1 0 378.476 3.665 20 30 GHEDRO CCN(C(=O)COc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000921086286 882571945 /nfs/dbraw/zinc/57/19/45/882571945.db2.gz CUCNEAVMOHRWDC-WIYYLYMNSA-N 1 0 377.488 3.621 20 30 GHEDRO CN(C(=O)c1cc(C#N)ccc1Cl)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000552116388 872045235 /nfs/dbraw/zinc/04/52/35/872045235.db2.gz TVHRFMJGYQODGH-UHFFFAOYSA-N 1 0 383.879 3.963 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccccc1N(C)C ZINC000540729740 872049955 /nfs/dbraw/zinc/04/99/55/872049955.db2.gz YODJFOPSJKAPGS-UHFFFAOYSA-N 1 0 385.581 3.851 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000618843453 872054625 /nfs/dbraw/zinc/05/46/25/872054625.db2.gz XJFBVPBWLHNUIG-DENIHFKCSA-N 1 0 380.536 3.843 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NCC(F)(F)F)cc1 ZINC000101535009 872070595 /nfs/dbraw/zinc/07/05/95/872070595.db2.gz ICUKJJBUPQQSLX-UHFFFAOYSA-O 1 0 381.443 3.936 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NCC(F)(F)F)c1 ZINC000101535097 872071691 /nfs/dbraw/zinc/07/16/91/872071691.db2.gz XTKRZKFVNKTIHG-UHFFFAOYSA-O 1 0 389.369 3.651 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000766929569 872078957 /nfs/dbraw/zinc/07/89/57/872078957.db2.gz GSHGZVIOGYJAPJ-HSZRJFAPSA-N 1 0 380.488 3.542 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000767018107 872175012 /nfs/dbraw/zinc/17/50/12/872175012.db2.gz MHHUETNLCMMIBU-PWIZWCRZSA-N 1 0 392.503 3.749 20 30 GHEDRO Cc1cc(NC(=O)Cc2c(F)cccc2C#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000552188723 872214023 /nfs/dbraw/zinc/21/40/23/872214023.db2.gz HWYSDRMJKAFDKQ-UHFFFAOYSA-N 1 0 394.494 3.717 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000477966549 872228215 /nfs/dbraw/zinc/22/82/15/872228215.db2.gz OTUNJSWAQRTYRK-DHIUTWEWSA-N 1 0 390.531 3.968 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000093534899 872259904 /nfs/dbraw/zinc/25/99/04/872259904.db2.gz HSHUQMVOQYQVFK-QGZVFWFLSA-N 1 0 398.463 3.640 20 30 GHEDRO COc1cccc([C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[NH+]2CCCC2)c1 ZINC000540848342 872307065 /nfs/dbraw/zinc/30/70/65/872307065.db2.gz RKCAWPNPYYSERU-FQEVSTJZSA-N 1 0 383.879 3.787 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NCCOC)cc1 ZINC000022792609 872388537 /nfs/dbraw/zinc/38/85/37/872388537.db2.gz BTXSAVCRVKSJCT-UHFFFAOYSA-O 1 0 385.553 3.718 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC001195462790 872405751 /nfs/dbraw/zinc/40/57/51/872405751.db2.gz CJZMCFITHDQJJM-OALUTQOASA-N 1 0 378.516 3.931 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC001195526332 872470347 /nfs/dbraw/zinc/47/03/47/872470347.db2.gz IYPOJOGKVBFZOL-FQEVSTJZSA-N 1 0 395.478 3.647 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(-c4nnnn4C4CC4)c3)CC2)cc1 ZINC000182689946 872675643 /nfs/dbraw/zinc/67/56/43/872675643.db2.gz LIAJMYBJWGMDPA-UHFFFAOYSA-N 1 0 399.502 3.623 20 30 GHEDRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541075843 872859282 /nfs/dbraw/zinc/85/92/82/872859282.db2.gz RCVXHJUYLWJTEK-SJORKVTESA-N 1 0 392.503 3.746 20 30 GHEDRO COc1cc(OC)c(C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)c(OC)c1 ZINC000619674190 872863479 /nfs/dbraw/zinc/86/34/79/872863479.db2.gz INSQVJQIZUGZPY-UHFFFAOYSA-N 1 0 396.487 3.972 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000527299503 872936636 /nfs/dbraw/zinc/93/66/36/872936636.db2.gz RWHJAHLWBKSZKJ-CQSZACIVSA-N 1 0 379.426 3.836 20 30 GHEDRO COc1ccc(CCC2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000619739316 872940866 /nfs/dbraw/zinc/94/08/66/872940866.db2.gz GIFONNNDCYAQLC-JOCHJYFZSA-N 1 0 394.515 3.651 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000619756826 872969415 /nfs/dbraw/zinc/96/94/15/872969415.db2.gz SLSQOFIJHRLGLH-UHFFFAOYSA-N 1 0 396.922 3.923 20 30 GHEDRO C[C@@H](CCNC(=O)NCc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000619759092 872971764 /nfs/dbraw/zinc/97/17/64/872971764.db2.gz LMDWDDSRCKZSEK-INIZCTEOSA-N 1 0 384.911 3.921 20 30 GHEDRO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000478427242 873009549 /nfs/dbraw/zinc/00/95/49/873009549.db2.gz HKLJPKIOUFEPLA-OAQYLSRUSA-N 1 0 382.529 3.601 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619807529 873027854 /nfs/dbraw/zinc/02/78/54/873027854.db2.gz SXEPLOBDBRKFOJ-OAQYLSRUSA-N 1 0 386.503 3.547 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1 ZINC001196330360 873036483 /nfs/dbraw/zinc/03/64/83/873036483.db2.gz QJHDNMSEYQMNEG-QGZVFWFLSA-N 1 0 377.488 3.781 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000552696140 873040020 /nfs/dbraw/zinc/04/00/20/873040020.db2.gz LQVRPWJUPQBBQL-XMSQKQJNSA-N 1 0 389.499 3.836 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(C#N)c(Cl)c2)c1 ZINC000619827783 873058785 /nfs/dbraw/zinc/05/87/85/873058785.db2.gz DJEQICYCUFBCIU-UHFFFAOYSA-N 1 0 384.911 3.794 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619827071 873060260 /nfs/dbraw/zinc/06/02/60/873060260.db2.gz SCSBNDDOYXVZAZ-LJQANCHMSA-N 1 0 382.895 3.628 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871897 873122787 /nfs/dbraw/zinc/12/27/87/873122787.db2.gz FXRVCRWRKORVLA-FQEVSTJZSA-N 1 0 389.499 3.552 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC001196479255 873125370 /nfs/dbraw/zinc/12/53/70/873125370.db2.gz LNYVCBWUHDYXLF-RTWAWAEBSA-N 1 0 388.895 3.947 20 30 GHEDRO CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746496091 873137725 /nfs/dbraw/zinc/13/77/25/873137725.db2.gz TZUFTLOQPGLHOU-QNDYCBLQSA-N 1 0 381.564 3.531 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000768250144 873189310 /nfs/dbraw/zinc/18/93/10/873189310.db2.gz OBINFYJVHJMMHI-UHFFFAOYSA-N 1 0 394.494 3.570 20 30 GHEDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Nc2ccccc2C#N)CC1)c1ccccc1 ZINC001196545136 873197613 /nfs/dbraw/zinc/19/76/13/873197613.db2.gz MJCRDHUNDQXWPF-QZTJIDSGSA-N 1 0 376.504 3.700 20 30 GHEDRO CC(=O)c1ccc(NC(=S)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 ZINC001196581333 873239601 /nfs/dbraw/zinc/23/96/01/873239601.db2.gz YFJAHQLUYXSJMQ-UHFFFAOYSA-N 1 0 392.528 3.734 20 30 GHEDRO CC(C)n1ncc2cc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)cnc21 ZINC000109351756 882703431 /nfs/dbraw/zinc/70/34/31/882703431.db2.gz MZTCSFLWQGYXSZ-IBGZPJMESA-N 1 0 392.482 3.782 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc3cc(Br)cc(C)c3o2)CC1 ZINC000768400495 873270321 /nfs/dbraw/zinc/27/03/21/873270321.db2.gz FPKBHHMKAWALSX-UHFFFAOYSA-N 1 0 389.293 3.721 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000464167741 873329840 /nfs/dbraw/zinc/32/98/40/873329840.db2.gz LOZVSCLMZLJVRC-UTKZUKDTSA-N 1 0 380.488 3.510 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C#N)ccc2OCCOC)cc1)C1CC1 ZINC000541353088 873419040 /nfs/dbraw/zinc/41/90/40/873419040.db2.gz JPUDRMXQTJGKFP-UHFFFAOYSA-N 1 0 393.487 3.820 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCCOC2)cc1OC ZINC000527733709 873510702 /nfs/dbraw/zinc/51/07/02/873510702.db2.gz FYCCUEBDNSSBSW-CQSZACIVSA-N 1 0 384.314 3.929 20 30 GHEDRO COc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1OC(F)F ZINC000527813657 873599907 /nfs/dbraw/zinc/59/99/07/873599907.db2.gz YZCLETXWQCDTOK-UHFFFAOYSA-N 1 0 388.414 3.964 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2cccc(C#N)c2Br)CCCCCC1 ZINC000448589619 873631899 /nfs/dbraw/zinc/63/18/99/873631899.db2.gz LCAFBMOOQPGNRR-UHFFFAOYSA-N 1 0 378.314 3.705 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 ZINC001197246189 873671920 /nfs/dbraw/zinc/67/19/20/873671920.db2.gz PVWIGUCZLNXAFC-RBUKOAKNSA-N 1 0 378.557 3.815 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](OCC3CC3)C2)sc2c1CCCC2 ZINC000494640599 882748597 /nfs/dbraw/zinc/74/85/97/882748597.db2.gz BPRAPSHNIIOXQV-INIZCTEOSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1ccc(-c2ccc(C(=O)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)o2)cc1 ZINC001197392481 873762452 /nfs/dbraw/zinc/76/24/52/873762452.db2.gz GRLDEJIYQJUJLT-LEWJYISDSA-N 1 0 398.466 3.702 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000448691847 873778981 /nfs/dbraw/zinc/77/89/81/873778981.db2.gz UEBZEGBWMRCKQD-UHFFFAOYSA-N 1 0 378.516 3.617 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001197582782 873924707 /nfs/dbraw/zinc/92/47/07/873924707.db2.gz YBEXVDJRDJGMMR-IBGZPJMESA-N 1 0 389.609 3.992 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC001198122171 874243075 /nfs/dbraw/zinc/24/30/75/874243075.db2.gz AFYWJLYTGJIISE-HXUWFJFHSA-N 1 0 387.483 3.763 20 30 GHEDRO Cc1noc(C[C@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC001198210432 874274165 /nfs/dbraw/zinc/27/41/65/874274165.db2.gz IJIZHKJCHNVDAA-MRXNPFEDSA-N 1 0 379.382 3.583 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448975198 874278682 /nfs/dbraw/zinc/27/86/82/874278682.db2.gz OBFBAVCGPIEJPR-UHFFFAOYSA-N 1 0 392.341 3.905 20 30 GHEDRO N#Cc1ccccc1OCC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769837302 874318345 /nfs/dbraw/zinc/31/83/45/874318345.db2.gz YDURMWHUTSJQDT-UHFFFAOYSA-N 1 0 390.405 3.939 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000609139224 874387137 /nfs/dbraw/zinc/38/71/37/874387137.db2.gz GABMYGLWSFGXKE-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449067939 874443581 /nfs/dbraw/zinc/44/35/81/874443581.db2.gz PGGLESVBRVYGRN-PPDQVPDSSA-N 1 0 377.554 3.840 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000464775861 874469680 /nfs/dbraw/zinc/46/96/80/874469680.db2.gz SBLIJVAYASOYKW-HXUWFJFHSA-N 1 0 399.583 3.836 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000464835062 874568824 /nfs/dbraw/zinc/56/88/24/874568824.db2.gz WSZSTSPROMLQIK-IBGZPJMESA-N 1 0 383.536 3.830 20 30 GHEDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000770383953 874625207 /nfs/dbraw/zinc/62/52/07/874625207.db2.gz DLRVBGNIFAGKIX-MJGOQNOKSA-N 1 0 386.540 3.772 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC[NH+]2CCCCC2)cc1C ZINC000770358156 874641117 /nfs/dbraw/zinc/64/11/17/874641117.db2.gz JSCWDFDPPDJWJX-UHFFFAOYSA-N 1 0 380.492 3.723 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1C#N ZINC000464861021 874660355 /nfs/dbraw/zinc/66/03/55/874660355.db2.gz UDHDVTBSVAYJBI-YLJYHZDGSA-N 1 0 384.524 3.531 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1C#N ZINC000464861020 874660642 /nfs/dbraw/zinc/66/06/42/874660642.db2.gz UDHDVTBSVAYJBI-XLIONFOSSA-N 1 0 384.524 3.531 20 30 GHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCSc1ccccc1Cl ZINC000464863956 874664960 /nfs/dbraw/zinc/66/49/60/874664960.db2.gz DAWBHKNYHYDQGA-HNNXBMFYSA-N 1 0 387.940 3.695 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)cnc1C)[C@@H](C)Cc1ccc(O)cc1 ZINC001183047623 912216751 /nfs/dbraw/zinc/21/67/51/912216751.db2.gz GTDOKGBISRCQSV-INIZCTEOSA-N 1 0 380.492 3.639 20 30 GHEDRO C#C[C@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)C1 ZINC001199000802 874757836 /nfs/dbraw/zinc/75/78/36/874757836.db2.gz CGYAXXCZKVNRJF-KRWDZBQOSA-N 1 0 388.943 3.749 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc1 ZINC000153155461 882860279 /nfs/dbraw/zinc/86/02/79/882860279.db2.gz PASPCWOZRUEWNA-UHFFFAOYSA-N 1 0 380.513 3.808 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542018676 874782199 /nfs/dbraw/zinc/78/21/99/874782199.db2.gz XTSJTHDPEKGANW-CQSZACIVSA-N 1 0 375.394 3.897 20 30 GHEDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000528661594 874849349 /nfs/dbraw/zinc/84/93/49/874849349.db2.gz VPQCYFLIIUVQJN-YJYMSZOUSA-N 1 0 380.517 3.961 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178258581 882874431 /nfs/dbraw/zinc/87/44/31/882874431.db2.gz YCLPUXVIGYCPRK-OALUTQOASA-N 1 0 386.536 3.603 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000449548704 875029226 /nfs/dbraw/zinc/02/92/26/875029226.db2.gz PWGSRCBJADPTCW-MOPGFXCFSA-N 1 0 379.342 3.737 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)cn1 ZINC000528851766 875153954 /nfs/dbraw/zinc/15/39/54/875153954.db2.gz YHLLOTNESHZFLV-BLVKFPJESA-N 1 0 384.867 3.683 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCc2ccccc21 ZINC001199800310 875193409 /nfs/dbraw/zinc/19/34/09/875193409.db2.gz CMFIDQFPAUQWAG-UHFFFAOYSA-N 1 0 385.305 3.613 20 30 GHEDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000429496680 875199503 /nfs/dbraw/zinc/19/95/03/875199503.db2.gz NDFLOVIEDGILGJ-RTWAWAEBSA-N 1 0 394.519 3.511 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3cnn(Cc4ccccc4)c3)cc2)CC1 ZINC000771523615 875312381 /nfs/dbraw/zinc/31/23/81/875312381.db2.gz CEWAZBXMGAWULX-FMIVXFBMSA-N 1 0 386.499 3.579 20 30 GHEDRO CCN(C(=O)Nc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771757209 875441546 /nfs/dbraw/zinc/44/15/46/875441546.db2.gz NNYCCZWHYVILIU-HXUWFJFHSA-N 1 0 378.476 3.717 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncccc2O[C@H](C)c2ccccc2)CC1 ZINC000771820581 875494386 /nfs/dbraw/zinc/49/43/86/875494386.db2.gz MMOCPJVDOBMGGH-QGZVFWFLSA-N 1 0 380.492 3.994 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC001201137399 875521005 /nfs/dbraw/zinc/52/10/05/875521005.db2.gz NPMHXBNBPFBLKF-DOMZBBRYSA-N 1 0 395.370 3.726 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000665956180 875574773 /nfs/dbraw/zinc/57/47/73/875574773.db2.gz LHKUYQUXIGLIOT-OAQYLSRUSA-N 1 0 395.503 3.530 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H](SCC)C2)c(OC)c1 ZINC000303499197 875711456 /nfs/dbraw/zinc/71/14/56/875711456.db2.gz YDGIVIPSMPBYDC-RTBURBONSA-N 1 0 379.566 3.771 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000449996459 875762468 /nfs/dbraw/zinc/76/24/68/875762468.db2.gz ANWZGEFJIPNHJA-QFIPXVFZSA-N 1 0 378.516 3.774 20 30 GHEDRO CSc1ccc(C)c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000029985972 875764976 /nfs/dbraw/zinc/76/49/76/875764976.db2.gz NVANXDADYHPQGU-UHFFFAOYSA-N 1 0 379.529 3.937 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)ccc1OC ZINC001201593974 875773072 /nfs/dbraw/zinc/77/30/72/875773072.db2.gz CCYWYYSVNUJXCU-MRXNPFEDSA-N 1 0 378.513 3.901 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000772226892 875785073 /nfs/dbraw/zinc/78/50/73/875785073.db2.gz RLWVTXBQXIWJMF-NBGIEHNGSA-N 1 0 386.539 3.937 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000772226888 875785182 /nfs/dbraw/zinc/78/51/82/875785182.db2.gz RLWVTXBQXIWJMF-CJFMBICVSA-N 1 0 386.539 3.937 20 30 GHEDRO O=C(N1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1)C(F)(F)C(F)(F)Cl ZINC001272468543 875798011 /nfs/dbraw/zinc/79/80/11/875798011.db2.gz QPNYZQBUJYOBAL-UHFFFAOYSA-N 1 0 398.750 3.720 20 30 GHEDRO COCc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000529209595 875832082 /nfs/dbraw/zinc/83/20/82/875832082.db2.gz IFLKIPDPPPZRLY-JTSKRJEESA-N 1 0 392.503 3.879 20 30 GHEDRO CCCCCCC[NH+]1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@H]2C ZINC001201762259 875847141 /nfs/dbraw/zinc/84/71/41/875847141.db2.gz CREXEOFAGMWCNQ-FQEVSTJZSA-N 1 0 387.568 3.942 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1C#N ZINC000529217858 875847492 /nfs/dbraw/zinc/84/74/92/875847492.db2.gz PUAHZMDTPXQDRE-NRFANRHFSA-N 1 0 378.476 3.663 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NCc2cc(C#N)ccc2Br)CC1 ZINC001201851008 875886827 /nfs/dbraw/zinc/88/68/27/875886827.db2.gz ONQOBGCTUNTMAF-UHFFFAOYSA-N 1 0 385.309 3.685 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000450047651 875889168 /nfs/dbraw/zinc/88/91/68/875889168.db2.gz MPVBIAOCLRGDON-WMZHIEFXSA-N 1 0 378.516 3.821 20 30 GHEDRO CCCCCCCCCCN1Cc2nccn2C[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC001201875007 875918756 /nfs/dbraw/zinc/91/87/56/875918756.db2.gz NLGOUEQIFXZLRL-QFIPXVFZSA-N 1 0 389.632 3.703 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001201875354 875920257 /nfs/dbraw/zinc/92/02/57/875920257.db2.gz WLUXRYOBWMGQEQ-IFMALSPDSA-N 1 0 382.589 3.855 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)[C@@H](C)CCO)cc1C ZINC000772387444 875938689 /nfs/dbraw/zinc/93/86/89/875938689.db2.gz JCZNRYIMPQVZPO-NRFANRHFSA-N 1 0 393.531 3.823 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000450102078 875986316 /nfs/dbraw/zinc/98/63/16/875986316.db2.gz QGOFCEBFRXGBSE-UHFFFAOYSA-N 1 0 378.516 3.917 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC001202081961 875992587 /nfs/dbraw/zinc/99/25/87/875992587.db2.gz JMLKARDAWJBOGY-UHFFFAOYSA-N 1 0 397.350 3.817 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NCc3cc(C#N)cs3)c2)CC1 ZINC000858313538 883018345 /nfs/dbraw/zinc/01/83/45/883018345.db2.gz FXDPOKZYHAFSSS-UHFFFAOYSA-N 1 0 399.520 3.684 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)n2C)cc1)C[C@@H]1CCCCO1 ZINC000450398908 876377857 /nfs/dbraw/zinc/37/78/57/876377857.db2.gz BBINTIXPCYWWDX-NRFANRHFSA-N 1 0 394.519 3.929 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1 ZINC000776427688 876465706 /nfs/dbraw/zinc/46/57/06/876465706.db2.gz QZJFNBMKMHASIO-RBZOQEBVSA-N 1 0 391.515 3.671 20 30 GHEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000858335607 883034123 /nfs/dbraw/zinc/03/41/23/883034123.db2.gz ZZFPNGYMRHKOCL-AAEUAGOBSA-N 1 0 376.806 3.704 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)o1 ZINC000529721728 876601259 /nfs/dbraw/zinc/60/12/59/876601259.db2.gz XUIYLMCMDQGPPF-IBGZPJMESA-N 1 0 393.487 3.867 20 30 GHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000609355916 883048173 /nfs/dbraw/zinc/04/81/73/883048173.db2.gz LCPCRNAIKHUYQR-OKILXGFUSA-N 1 0 398.429 3.884 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000450764797 876859075 /nfs/dbraw/zinc/85/90/75/876859075.db2.gz QINFUKYHGRVNKH-AYOQOUSVSA-N 1 0 378.463 3.588 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3nc(C)c(C#N)cc3Cl)CC2)cc1 ZINC000450784822 876886320 /nfs/dbraw/zinc/88/63/20/876886320.db2.gz LHJYAVKEACJLEJ-UHFFFAOYSA-N 1 0 397.910 3.950 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)ccc1OC ZINC000850413580 876893668 /nfs/dbraw/zinc/89/36/68/876893668.db2.gz NBMJQBBTQYPFIU-UHFFFAOYSA-N 1 0 395.503 3.860 20 30 GHEDRO N#Cc1ccc(COC(=O)CC[N@@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000786815833 876971919 /nfs/dbraw/zinc/97/19/19/876971919.db2.gz JTTLUSMWEAUFJO-UHFFFAOYSA-N 1 0 399.288 3.812 20 30 GHEDRO C[C@H]([NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1)c1ccc(OCC#N)cc1 ZINC000850545061 877013474 /nfs/dbraw/zinc/01/34/74/877013474.db2.gz DNRGPHAPLXKQRZ-FQEVSTJZSA-N 1 0 390.531 3.594 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746636212 877160911 /nfs/dbraw/zinc/16/09/11/877160911.db2.gz LTBNNQSUTACKBW-SFHVURJKSA-N 1 0 396.878 3.937 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(NC(C)=O)ccc1Cl)C(C)C ZINC000134916310 883106529 /nfs/dbraw/zinc/10/65/29/883106529.db2.gz PZBCQIORJGKCHE-LJQANCHMSA-N 1 0 377.916 3.727 20 30 GHEDRO COc1ccc2nc(N=NC3CCOC[C@H]3C[NH+]3CCCCC3)c(C)cc2c1 ZINC000787162866 877208730 /nfs/dbraw/zinc/20/87/30/877208730.db2.gz QHBGSOIEUITBFI-GOSISDBHSA-N 1 0 382.508 3.842 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000193045999 877267904 /nfs/dbraw/zinc/26/79/04/877267904.db2.gz OIUIRRDCPXAPBQ-UHFFFAOYSA-N 1 0 386.565 3.971 20 30 GHEDRO Cc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)ccc1C#N ZINC000443983205 877320298 /nfs/dbraw/zinc/32/02/98/877320298.db2.gz CZTPBNCTOQDOGB-XMMPIXPASA-N 1 0 383.495 3.884 20 30 GHEDRO N#CC1(COC(=O)c2ccc3c(c2)CCOC3)CC[NH+](Cc2ccccc2)CC1 ZINC000851109353 877416121 /nfs/dbraw/zinc/41/61/21/877416121.db2.gz MMGUFHCLMODMBJ-UHFFFAOYSA-N 1 0 390.483 3.722 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000610135638 877452583 /nfs/dbraw/zinc/45/25/83/877452583.db2.gz JDIPXSCTBGDVIH-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000451146884 877454797 /nfs/dbraw/zinc/45/47/97/877454797.db2.gz MOIPVYWKRIHQNJ-UHFFFAOYSA-N 1 0 375.350 3.674 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000642649065 912248342 /nfs/dbraw/zinc/24/83/42/912248342.db2.gz LZWPLAOGYLTCNA-NRFANRHFSA-N 1 0 381.907 3.828 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000137544825 877567535 /nfs/dbraw/zinc/56/75/35/877567535.db2.gz HWHRRFFTWJYKDO-QFIPXVFZSA-N 1 0 390.531 3.905 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nc(Cl)c(C#N)s3)cc2)C[C@@H](C)O1 ZINC000787891407 877692505 /nfs/dbraw/zinc/69/25/05/877692505.db2.gz CYANZULBKQPICI-CHWSQXEVSA-N 1 0 376.913 3.889 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000170853820 877732492 /nfs/dbraw/zinc/73/24/92/877732492.db2.gz NTXBQUZEPXOKJG-OAQYLSRUSA-N 1 0 376.504 3.666 20 30 GHEDRO C=C(C)CS(=O)(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000477502890 877745409 /nfs/dbraw/zinc/74/54/09/877745409.db2.gz HZSXNRGZIIWDJB-INIZCTEOSA-N 1 0 378.460 3.584 20 30 GHEDRO N#Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000451317623 877768279 /nfs/dbraw/zinc/76/82/79/877768279.db2.gz CXONBLWOQRWCSA-INIZCTEOSA-N 1 0 398.304 3.573 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000851904868 877970098 /nfs/dbraw/zinc/97/00/98/877970098.db2.gz DMEDLUYPQSQSFD-QUCCMNQESA-N 1 0 392.421 3.675 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000175894601 877970810 /nfs/dbraw/zinc/97/08/10/877970810.db2.gz NEHKDSXZLOPOHO-UHFFFAOYSA-N 1 0 389.421 3.618 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000285451973 912295244 /nfs/dbraw/zinc/29/52/44/912295244.db2.gz MTEXMWDFQQUVJQ-UHFFFAOYSA-N 1 0 380.467 3.614 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)c(OC)c1 ZINC000285469630 912302330 /nfs/dbraw/zinc/30/23/30/912302330.db2.gz NOSYTZRFYBFXTD-SUMWQHHRSA-N 1 0 385.464 3.853 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245547742 878085971 /nfs/dbraw/zinc/08/59/71/878085971.db2.gz MZQKQJXDOUFRSN-JFIYKMOQSA-N 1 0 375.538 3.502 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460551034 878164899 /nfs/dbraw/zinc/16/48/99/878164899.db2.gz LOAGEJYNLCZSMQ-QFBILLFUSA-N 1 0 399.514 3.806 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000852320769 878237699 /nfs/dbraw/zinc/23/76/99/878237699.db2.gz OMMKZEUVFMBXPF-MJGOQNOKSA-N 1 0 387.524 3.929 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2ccc(OCC#N)cc2)cc1 ZINC000110630694 878333531 /nfs/dbraw/zinc/33/35/31/878333531.db2.gz DORMOHCHDHWCPX-IBGZPJMESA-N 1 0 391.515 3.822 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000451682739 878336674 /nfs/dbraw/zinc/33/66/74/878336674.db2.gz PXLBIUUIPOYNRJ-XQBPLPMBSA-N 1 0 384.545 3.839 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)ccc1F ZINC000852473453 878354069 /nfs/dbraw/zinc/35/40/69/878354069.db2.gz NWJKBJHEHZFGTK-QAPCUYQASA-N 1 0 397.416 3.853 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000852835071 878626270 /nfs/dbraw/zinc/62/62/70/878626270.db2.gz BUFHVWCDRYUEBR-UHFFFAOYSA-N 1 0 394.437 3.859 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530857105 878628356 /nfs/dbraw/zinc/62/83/56/878628356.db2.gz MJDLHYAUPOSIGY-DEOSSOPVSA-N 1 0 383.499 3.994 20 30 GHEDRO CCn1cc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cn1 ZINC000451893092 878632189 /nfs/dbraw/zinc/63/21/89/878632189.db2.gz OKNVUSDRMSTDQD-INIZCTEOSA-N 1 0 396.539 3.988 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1)CC(C)C ZINC000538034241 878706567 /nfs/dbraw/zinc/70/65/67/878706567.db2.gz CBQBXMKDLOQYEJ-UHFFFAOYSA-N 1 0 376.932 3.827 20 30 GHEDRO CN(C)[C@@]1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCSC1 ZINC000530883416 878726577 /nfs/dbraw/zinc/72/65/77/878726577.db2.gz XQAQTXVHSGQXIA-JOCHJYFZSA-N 1 0 381.545 3.664 20 30 GHEDRO N#Cc1cccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000530908968 878755374 /nfs/dbraw/zinc/75/53/74/878755374.db2.gz WSPKNSVKSCUCJJ-IBGZPJMESA-N 1 0 387.405 3.510 20 30 GHEDRO C=CC[NH+]1CCC(N2C(=O)[C@H](c3cccc(Cl)c3Cl)N(C)C2=O)CC1 ZINC000853084894 878803458 /nfs/dbraw/zinc/80/34/58/878803458.db2.gz BHXKSSYKWCPPFQ-INIZCTEOSA-N 1 0 382.291 3.579 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460944693 878869236 /nfs/dbraw/zinc/86/92/36/878869236.db2.gz HMINHYOBCARWHJ-HXUWFJFHSA-N 1 0 395.551 3.723 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248772365 912401373 /nfs/dbraw/zinc/40/13/73/912401373.db2.gz HJZOCEKPIPYXFK-QKLQHJQFSA-N 1 0 378.476 3.619 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000789393698 878887708 /nfs/dbraw/zinc/88/77/08/878887708.db2.gz LAXXYRCMXYOPGT-GOSISDBHSA-N 1 0 388.924 3.810 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000853281704 878949200 /nfs/dbraw/zinc/94/92/00/878949200.db2.gz BGWLZCAIGYOHFF-UHFFFAOYSA-N 1 0 389.503 3.726 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000538177904 878982361 /nfs/dbraw/zinc/98/23/61/878982361.db2.gz KJYVIILDPRHZCL-UHFFFAOYSA-N 1 0 387.277 3.987 20 30 GHEDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000452106190 878990903 /nfs/dbraw/zinc/99/09/03/878990903.db2.gz QKMYRBMJHUCDSH-HOTGVXAUSA-N 1 0 389.565 3.822 20 30 GHEDRO Fc1cccc(CON=Cc2ccc(N3CCOCC3)cc2)c1OC(F)F ZINC000853642811 879200120 /nfs/dbraw/zinc/20/01/20/879200120.db2.gz MXIYOTUNOZKXFL-UHFFFAOYSA-N 1 0 380.366 3.814 20 30 GHEDRO C#CCN1CC[C@@]2(CCCN2Cc2cc3cccc(Cl)c3nc2Cl)C1=O ZINC001275152638 912430189 /nfs/dbraw/zinc/43/01/89/912430189.db2.gz MYWBGNTZXUXPIO-FQEVSTJZSA-N 1 0 388.298 3.742 20 30 GHEDRO C#C[C@@H](NC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000853729963 879247795 /nfs/dbraw/zinc/24/77/95/879247795.db2.gz KXSPXAUUENKMNJ-GHTZIAJQSA-N 1 0 385.552 3.624 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000093815515 912449412 /nfs/dbraw/zinc/44/94/12/912449412.db2.gz KFIVWQPAIUTTOJ-LIRRHRJNSA-N 1 0 389.293 3.905 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000746868323 879380565 /nfs/dbraw/zinc/38/05/65/879380565.db2.gz WNNWUVALYNKOCE-RUZDIDTESA-N 1 0 388.511 3.827 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC3CCC([NH+]4CCCCC4)CC3)on2)c1 ZINC000789975368 879392836 /nfs/dbraw/zinc/39/28/36/879392836.db2.gz GWONIUGZANGKGX-UHFFFAOYSA-N 1 0 378.476 3.740 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000564380477 879511320 /nfs/dbraw/zinc/51/13/20/879511320.db2.gz RJGVYPRYCJEHHF-MJGOQNOKSA-N 1 0 387.597 3.867 20 30 GHEDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001202489865 879513122 /nfs/dbraw/zinc/51/31/22/879513122.db2.gz IJOBHZVOOJFVNJ-UHFFFAOYSA-N 1 0 388.903 3.639 20 30 GHEDRO C=CC[C@@]1(C(=O)N(C)C2CC[NH+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790253462 879551814 /nfs/dbraw/zinc/55/18/14/879551814.db2.gz HSCNIXLUNZNPJZ-QFIPXVFZSA-N 1 0 393.572 3.663 20 30 GHEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000790653628 879918391 /nfs/dbraw/zinc/91/83/91/879918391.db2.gz WCIINJJSEKFHCN-QGZVFWFLSA-N 1 0 385.533 3.681 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000152534539 879932761 /nfs/dbraw/zinc/93/27/61/879932761.db2.gz JSSLOHIFQLGXGJ-UHFFFAOYSA-N 1 0 379.504 3.872 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854676252 879998093 /nfs/dbraw/zinc/99/80/93/879998093.db2.gz HUYHKMRELACFSK-UHFFFAOYSA-N 1 0 394.519 3.977 20 30 GHEDRO N#CCOc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112589496 880020409 /nfs/dbraw/zinc/02/04/09/880020409.db2.gz XIVVNIWLEQSKTK-UHFFFAOYSA-N 1 0 377.488 3.895 20 30 GHEDRO C=CCOc1cccc(NC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000069296524 880083336 /nfs/dbraw/zinc/08/33/36/880083336.db2.gz DTVWIRPPDZRFOX-HDICACEKSA-N 1 0 387.524 3.605 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1cccs1 ZINC000465402420 880099173 /nfs/dbraw/zinc/09/91/73/880099173.db2.gz IWHGXSOKXJZABR-IPMKNSEASA-N 1 0 382.533 3.832 20 30 GHEDRO N#CCn1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc2ccccc21 ZINC000609170747 880128300 /nfs/dbraw/zinc/12/83/00/880128300.db2.gz YUQHQHOCEKNHOV-KRWDZBQOSA-N 1 0 392.528 3.868 20 30 GHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609171309 880139475 /nfs/dbraw/zinc/13/94/75/880139475.db2.gz OHGCIVVHIVFQBW-UHFFFAOYSA-N 1 0 387.487 3.923 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610133314 880240951 /nfs/dbraw/zinc/24/09/51/880240951.db2.gz BTYFFUPMKDJXEZ-LZQZEXGQSA-N 1 0 375.900 3.676 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@]2(C1)OCc1ccccc12)C(C)C ZINC000185156517 880492327 /nfs/dbraw/zinc/49/23/27/880492327.db2.gz DPLABCYCQKXFNY-JTHBVZDNSA-N 1 0 383.536 3.526 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000776822355 880623999 /nfs/dbraw/zinc/62/39/99/880623999.db2.gz JEIGPIMKCQPBQJ-DOTOQJQBSA-N 1 0 382.426 3.904 20 30 GHEDRO C[C@H](OCc1ccccc1)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183497438 912592467 /nfs/dbraw/zinc/59/24/67/912592467.db2.gz WEQXCBKBGZSZNN-TZYHBYERSA-N 1 0 391.515 3.762 20 30 GHEDRO COc1ccccc1N1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286157893 912595382 /nfs/dbraw/zinc/59/53/82/912595382.db2.gz PSOPOSXFRJUVRH-UHFFFAOYSA-N 1 0 390.531 3.794 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186201213 880817613 /nfs/dbraw/zinc/81/76/13/880817613.db2.gz CSKQGJZJDPCGLP-UHFFFAOYSA-N 1 0 381.476 3.702 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CCC(C[NH+](CC)CC)CC1 ZINC000057847331 881121436 /nfs/dbraw/zinc/12/14/36/881121436.db2.gz YELYRQWMFVKSCU-UHFFFAOYSA-N 1 0 375.582 3.957 20 30 GHEDRO C[N@H+](CCCCc1ccccc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000195179304 881146844 /nfs/dbraw/zinc/14/68/44/881146844.db2.gz JWWOINNDLICKPD-UHFFFAOYSA-N 1 0 387.487 3.637 20 30 GHEDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1C ZINC000453635745 881182829 /nfs/dbraw/zinc/18/28/29/881182829.db2.gz SNPQYMRDBQEWJG-HSZRJFAPSA-N 1 0 388.515 3.774 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC2(O)CCCC2)cc1OC ZINC000537624133 881189620 /nfs/dbraw/zinc/18/96/20/881189620.db2.gz VFYJPEPWHQJPDP-UHFFFAOYSA-N 1 0 384.314 3.759 20 30 GHEDRO N#Cc1cccc(OCCC[N@@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000494255038 881337472 /nfs/dbraw/zinc/33/74/72/881337472.db2.gz XGDYAAIMNBEHFC-UHFFFAOYSA-N 1 0 395.322 3.646 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000761668041 883175547 /nfs/dbraw/zinc/17/55/47/883175547.db2.gz IIKIQXNSSDLLRN-SFHVURJKSA-N 1 0 396.466 3.762 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)cc1 ZINC000858606754 883229060 /nfs/dbraw/zinc/22/90/60/883229060.db2.gz KBOVTFBRLTYLJF-UHFFFAOYSA-N 1 0 377.488 3.949 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)C[C@@H](CC#N)c3ccccc3)CCCC2)CC1 ZINC000475754508 883234647 /nfs/dbraw/zinc/23/46/47/883234647.db2.gz FATVBJYNWGXPQV-HXUWFJFHSA-N 1 0 383.536 3.614 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2)cc1 ZINC000609513994 883313248 /nfs/dbraw/zinc/31/32/48/883313248.db2.gz NSWQFLDGBAUQIW-UHFFFAOYSA-N 1 0 398.466 3.902 20 30 GHEDRO CCC(CC)(CNC(=O)COc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000609549829 883363692 /nfs/dbraw/zinc/36/36/92/883363692.db2.gz MOAAGGOLFMINTE-SFHVURJKSA-N 1 0 379.504 3.963 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609610290 883421855 /nfs/dbraw/zinc/42/18/55/883421855.db2.gz SJZDAWILLIHADF-LSWJPFSZSA-N 1 0 394.563 3.640 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3c4c(ccc3O)oc3c4CCCC3)CC2)n1 ZINC000760552151 883462467 /nfs/dbraw/zinc/46/24/67/883462467.db2.gz NSPLAYRBOBACGP-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N(CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001183627562 912712744 /nfs/dbraw/zinc/71/27/44/912712744.db2.gz VOMIEPNHJMEBLS-SPEDKVCISA-N 1 0 393.572 3.697 20 30 GHEDRO COCCC[N@H+](CCc1ccc(OC)cc1)Cc1cn2ccccc2c1C#N ZINC000609672497 883495596 /nfs/dbraw/zinc/49/55/96/883495596.db2.gz GIBWUTSYMAWLIZ-UHFFFAOYSA-N 1 0 377.488 3.901 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000609663060 883506828 /nfs/dbraw/zinc/50/68/28/883506828.db2.gz SYMRMAXSFLWCKE-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1ccc([C@H](NCc2ccc(OCc3cccc(F)c3)cc2)C(N)=O)cc1 ZINC000609675960 883533369 /nfs/dbraw/zinc/53/33/69/883533369.db2.gz ZXWMAKKJBQLTAP-QFIPXVFZSA-N 1 0 389.430 3.593 20 30 GHEDRO CC[NH+]=C(NCc1nc(C)cs1)NCc1nc2cc(Cl)ccc2s1 ZINC000263246793 883583492 /nfs/dbraw/zinc/58/34/92/883583492.db2.gz NEABOZFFBDVGFY-UHFFFAOYSA-N 1 0 379.942 3.970 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1OCCCC#N ZINC000064613920 883761059 /nfs/dbraw/zinc/76/10/59/883761059.db2.gz GJCXFFKTQXRMST-UHFFFAOYSA-N 1 0 380.492 3.663 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000477166989 883826909 /nfs/dbraw/zinc/82/69/09/883826909.db2.gz RUOJGRNVNXHMTR-QFIPXVFZSA-N 1 0 381.516 3.836 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465437120 883869342 /nfs/dbraw/zinc/86/93/42/883869342.db2.gz WDQOHMHAHDZUFM-YTFSRNRJSA-N 1 0 388.515 3.742 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000805781307 884064030 /nfs/dbraw/zinc/06/40/30/884064030.db2.gz YLWDTOVXZSBCCE-XUZZJYLKSA-N 1 0 389.543 3.927 20 30 GHEDRO CC1(C)[C@H](c2cccc(F)c2)CCN1Cc1nc2ccccc2c(=O)n1CC#N ZINC000859859329 884129224 /nfs/dbraw/zinc/12/92/24/884129224.db2.gz HGZGPGFSASIZMN-IBGZPJMESA-N 1 0 390.462 3.827 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000805821003 884134506 /nfs/dbraw/zinc/13/45/06/884134506.db2.gz BNBKGZLFZUBXLC-OAQYLSRUSA-N 1 0 399.922 3.917 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000859883094 884146574 /nfs/dbraw/zinc/14/65/74/884146574.db2.gz LPYZRYABFNWOQP-IBGZPJMESA-N 1 0 399.535 3.801 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)cc1 ZINC000859894176 884157519 /nfs/dbraw/zinc/15/75/19/884157519.db2.gz AYSJDBIWIJCAKQ-UHFFFAOYSA-N 1 0 380.492 3.932 20 30 GHEDRO N#C[C@H](COC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000805867644 884158861 /nfs/dbraw/zinc/15/88/61/884158861.db2.gz NOSHAKDBOVQHGA-HXUWFJFHSA-N 1 0 380.463 3.963 20 30 GHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CCCC1 ZINC000026448194 884190177 /nfs/dbraw/zinc/19/01/77/884190177.db2.gz HTPOSFQTESKWIK-UHFFFAOYSA-N 1 0 386.540 3.921 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2(CC(=O)OC)CCC2)cc1OC ZINC000537468108 884195383 /nfs/dbraw/zinc/19/53/83/884195383.db2.gz VRWWVCNIXXUVEV-UHFFFAOYSA-N 1 0 398.297 3.598 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)ccc1OC(F)F ZINC000026225317 884202195 /nfs/dbraw/zinc/20/21/95/884202195.db2.gz MEROZXFXDCDMMV-UHFFFAOYSA-N 1 0 389.402 3.629 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]Cc3nc(C#N)cs3)CC[C@@H]21 ZINC000897629551 884211902 /nfs/dbraw/zinc/21/19/02/884211902.db2.gz LBEZMIOLEWCMJN-YCPHGPKFSA-N 1 0 376.526 3.673 20 30 GHEDRO C=CC[C@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)C1 ZINC000666232917 884287336 /nfs/dbraw/zinc/28/73/36/884287336.db2.gz DWNJKOAYOJYVLT-SFHVURJKSA-N 1 0 386.540 3.657 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1 ZINC000476251453 884292508 /nfs/dbraw/zinc/29/25/08/884292508.db2.gz KZLCTCHOEAFJPW-UHFFFAOYSA-N 1 0 377.488 3.697 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(CCc3ccc(OCC)cc3)CC2)CC1 ZINC000918758927 884299865 /nfs/dbraw/zinc/29/98/65/884299865.db2.gz IWPXNFBRNNBGID-UHFFFAOYSA-N 1 0 382.548 3.602 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000556278674 884338962 /nfs/dbraw/zinc/33/89/62/884338962.db2.gz RPJOXYPTOJQMDW-GCJKJVERSA-N 1 0 390.531 3.749 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000860167290 884388773 /nfs/dbraw/zinc/38/87/73/884388773.db2.gz FZAJAZRXGIKOBR-OAQYLSRUSA-N 1 0 399.535 3.796 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000860170500 884393253 /nfs/dbraw/zinc/39/32/53/884393253.db2.gz ONWYQJIBZNJPDY-GOSISDBHSA-N 1 0 379.545 3.664 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[NH+]1CCC(C)CC1 ZINC000102752597 884404306 /nfs/dbraw/zinc/40/43/06/884404306.db2.gz MDSZTCUVXPVBLT-QGZVFWFLSA-N 1 0 381.476 3.580 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000127572029 884406187 /nfs/dbraw/zinc/40/61/87/884406187.db2.gz SMVKMLXNXZALBS-IAGOWNOFSA-N 1 0 392.503 3.718 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc(Br)ccc1C)CC2 ZINC001275248068 912821351 /nfs/dbraw/zinc/82/13/51/912821351.db2.gz LIVAFWAPMAYGKC-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C2CC2)cn1 ZINC000860205804 884416792 /nfs/dbraw/zinc/41/67/92/884416792.db2.gz WMOSXXSEULHBGC-HSZRJFAPSA-N 1 0 392.503 3.695 20 30 GHEDRO CC[C@H](CC#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183796089 912827380 /nfs/dbraw/zinc/82/73/80/912827380.db2.gz OQEFMCXDDAHUDA-VSKRKVRLSA-N 1 0 379.479 3.850 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(F)cc1 ZINC000102803022 884467839 /nfs/dbraw/zinc/46/78/39/884467839.db2.gz SLQSEVUBOXCBBG-MRXNPFEDSA-N 1 0 392.381 3.723 20 30 GHEDRO Cc1ccc(NC(=O)c2c(C)cc(C#N)cc2C)cc1NC(=O)CC[NH+](C)C ZINC000897942856 884522214 /nfs/dbraw/zinc/52/22/14/884522214.db2.gz SXRUYOZEKDJYDD-UHFFFAOYSA-N 1 0 378.476 3.626 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC(C)C ZINC000127613175 884758305 /nfs/dbraw/zinc/75/83/05/884758305.db2.gz BITBILFBLMSZRI-IAGOWNOFSA-N 1 0 387.524 3.864 20 30 GHEDRO C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000860647846 884876228 /nfs/dbraw/zinc/87/62/28/884876228.db2.gz AAGYFMGXTSWFHD-NQIIRXRSSA-N 1 0 375.516 3.863 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000556436651 884917787 /nfs/dbraw/zinc/91/77/87/884917787.db2.gz ZJXVFAAEEXVGQZ-HXUWFJFHSA-N 1 0 395.551 3.841 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000537525413 884991232 /nfs/dbraw/zinc/99/12/32/884991232.db2.gz YSYWPLQXOYNTFL-APWZRJJASA-N 1 0 387.549 3.768 20 30 GHEDRO CC1(C)C[C@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C(C)(C)O1 ZINC000860856029 885055117 /nfs/dbraw/zinc/05/51/17/885055117.db2.gz CWRQJUVYKJAOJB-LJQANCHMSA-N 1 0 384.520 3.929 20 30 GHEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN(CC#N)C2CCCC2)c1=S ZINC000153392200 885076494 /nfs/dbraw/zinc/07/64/94/885076494.db2.gz NAVPXXMVCMVREB-QGZVFWFLSA-N 1 0 378.590 3.953 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807083704 885206747 /nfs/dbraw/zinc/20/67/47/885206747.db2.gz GGVDTTDOKNNDOX-NZQKXSOJSA-N 1 0 375.516 3.742 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)COc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001130875259 885296276 /nfs/dbraw/zinc/29/62/76/885296276.db2.gz JGBFTGOFMKJCTH-UHFFFAOYSA-N 1 0 385.895 3.965 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CCOC(C)(C)C ZINC000610859960 885350273 /nfs/dbraw/zinc/35/02/73/885350273.db2.gz XNWOGEAKQQCVMD-CQSZACIVSA-N 1 0 377.554 3.963 20 30 GHEDRO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000537560127 885398397 /nfs/dbraw/zinc/39/83/97/885398397.db2.gz BCCOYGXUNQIMTH-AUSIDOKSSA-N 1 0 383.536 3.643 20 30 GHEDRO CC1CCN(C(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000303266769 885497664 /nfs/dbraw/zinc/49/76/64/885497664.db2.gz WKYMOCZXXFHVMU-UHFFFAOYSA-N 1 0 383.458 3.800 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)C[NH+]1CCCCC1 ZINC000303588113 885636586 /nfs/dbraw/zinc/63/65/86/885636586.db2.gz RBWNIEXRAYCAII-IBGZPJMESA-N 1 0 391.515 3.989 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000108504910 885762285 /nfs/dbraw/zinc/76/22/85/885762285.db2.gz LIECVWRESHOOTO-HXUWFJFHSA-N 1 0 392.503 3.795 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000487909342 885770233 /nfs/dbraw/zinc/77/02/33/885770233.db2.gz FTEWBMZRUGKZCI-NRFANRHFSA-N 1 0 381.476 3.541 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000808119829 886030579 /nfs/dbraw/zinc/03/05/79/886030579.db2.gz VBYKUNZDRGXIOL-SDNWHVSQSA-N 1 0 391.515 3.949 20 30 GHEDRO C=CC[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000532554944 886047161 /nfs/dbraw/zinc/04/71/61/886047161.db2.gz MCXMLSYGFYIGHN-SFHVURJKSA-N 1 0 385.475 3.597 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000780677621 886132938 /nfs/dbraw/zinc/13/29/38/886132938.db2.gz LSOIZXYEOJRBEI-AOIWGVFYSA-N 1 0 378.476 3.934 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@@H](C3CC3)C2)c1=S ZINC000808230690 886144560 /nfs/dbraw/zinc/14/45/60/886144560.db2.gz NRLIQZASYTXZAK-LJQANCHMSA-N 1 0 389.613 3.708 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1C#N ZINC000532582327 886175535 /nfs/dbraw/zinc/17/55/35/886175535.db2.gz VDHFERQVLQVOAK-GJZGRUSLSA-N 1 0 382.483 3.833 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000762481026 886272057 /nfs/dbraw/zinc/27/20/57/886272057.db2.gz NONYZZAXQCJJMS-PXNSSMCTSA-N 1 0 386.540 3.772 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000808450087 886360715 /nfs/dbraw/zinc/36/07/15/886360715.db2.gz AJAOLWWBYCJACA-QAQDUYKDSA-N 1 0 397.523 3.627 20 30 GHEDRO COc1ccccc1C1(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCC1 ZINC000556858236 886391477 /nfs/dbraw/zinc/39/14/77/886391477.db2.gz BGBOTDBIFQEBEC-FQEVSTJZSA-N 1 0 394.515 3.603 20 30 GHEDRO COc1ccccc1C1(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCC1 ZINC000556858239 886392367 /nfs/dbraw/zinc/39/23/67/886392367.db2.gz BGBOTDBIFQEBEC-HXUWFJFHSA-N 1 0 394.515 3.603 20 30 GHEDRO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466352 886418673 /nfs/dbraw/zinc/41/86/73/886418673.db2.gz SACZIGOYSKLARQ-QGZVFWFLSA-N 1 0 378.476 3.824 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1OC ZINC000120913693 886533601 /nfs/dbraw/zinc/53/36/01/886533601.db2.gz DBZFVYUCRLBHLH-UHFFFAOYSA-N 1 0 378.476 3.682 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000119112622 886650938 /nfs/dbraw/zinc/65/09/38/886650938.db2.gz JTVVVYWVBISPGP-UHFFFAOYSA-N 1 0 391.515 3.680 20 30 GHEDRO N#CC1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000057388916 886669239 /nfs/dbraw/zinc/66/92/39/886669239.db2.gz OXLMRQHHZTYXBG-UHFFFAOYSA-N 1 0 382.508 3.914 20 30 GHEDRO C[C@@H]([NH3+])c1ccn(-c2nc(C#C[Si](C)(C)C)ccc2NC(=O)C(C)(C)C)n1 ZINC001158350870 886730584 /nfs/dbraw/zinc/73/05/84/886730584.db2.gz PLAIKKVZNSZGKB-CQSZACIVSA-N 1 0 383.572 3.501 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCN(c3nccc4sccc43)CC2)cc1 ZINC000808779975 886769497 /nfs/dbraw/zinc/76/94/97/886769497.db2.gz OWYOTBAWDYTPBO-UHFFFAOYSA-N 1 0 378.501 3.759 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 ZINC000487983479 886802187 /nfs/dbraw/zinc/80/21/87/886802187.db2.gz LECCFVDXJLORJB-KRWDZBQOSA-N 1 0 387.281 3.745 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc(C#N)s1 ZINC000808828614 886832117 /nfs/dbraw/zinc/83/21/17/886832117.db2.gz RIJVOFUMAGLLFW-UHFFFAOYSA-N 1 0 385.489 3.679 20 30 GHEDRO CCC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N)cc1 ZINC000863069248 886867562 /nfs/dbraw/zinc/86/75/62/886867562.db2.gz UFBXHHXQTYGLRR-UHFFFAOYSA-N 1 0 395.576 3.512 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)CC1 ZINC000171721108 887056351 /nfs/dbraw/zinc/05/63/51/887056351.db2.gz NEWCKDCCSZUIPK-UHFFFAOYSA-N 1 0 389.496 3.550 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC[C@@H](O)C[NH+]3CCCC3)cc2Cl)c1 ZINC000863555448 887208903 /nfs/dbraw/zinc/20/89/03/887208903.db2.gz DUBZFWGKGFRCRH-LJQANCHMSA-N 1 0 385.895 3.659 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)c(SC)cc1OC ZINC000266063832 887463227 /nfs/dbraw/zinc/46/32/27/887463227.db2.gz WMONYMAPGNUHBQ-UHFFFAOYSA-N 1 0 399.516 3.758 20 30 GHEDRO C#Cc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000809623224 887620618 /nfs/dbraw/zinc/62/06/18/887620618.db2.gz RRZXZOSLYRAERR-UHFFFAOYSA-N 1 0 392.480 3.549 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000864328993 887706401 /nfs/dbraw/zinc/70/64/01/887706401.db2.gz PKSDVEIPUDWKIS-SINXNMPMSA-N 1 0 396.487 3.820 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000809735601 887716551 /nfs/dbraw/zinc/71/65/51/887716551.db2.gz LVCQUTGGUFBVEF-DEOSSOPVSA-N 1 0 391.563 3.918 20 30 GHEDRO COC(=O)c1cccc(NC2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000809754433 887794244 /nfs/dbraw/zinc/79/42/44/887794244.db2.gz ATHZDOQSWUAARX-KRWDZBQOSA-N 1 0 393.487 3.841 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000865508484 888396930 /nfs/dbraw/zinc/39/69/30/888396930.db2.gz ITYRRFDXHKTCKX-UHFFFAOYSA-N 1 0 379.504 3.610 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000139179785 888432166 /nfs/dbraw/zinc/43/21/66/888432166.db2.gz VNPFSJDTYXDOEC-OAQYLSRUSA-N 1 0 385.471 3.692 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000454288932 888462104 /nfs/dbraw/zinc/46/21/04/888462104.db2.gz DVBQKTBNNXLKKP-KRWDZBQOSA-N 1 0 383.521 3.554 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000865694203 888519457 /nfs/dbraw/zinc/51/94/57/888519457.db2.gz BCLAQYXKCVQZAP-UHFFFAOYSA-N 1 0 380.458 3.533 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC001132306573 888578378 /nfs/dbraw/zinc/57/83/78/888578378.db2.gz JHBJXNZBFDRVDY-PTUXOGIPSA-N 1 0 375.516 3.958 20 30 GHEDRO CN(c1cc(C(F)(F)F)cc(C#N)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000865863961 888618883 /nfs/dbraw/zinc/61/88/83/888618883.db2.gz HHLGMVIBFUVAAL-UHFFFAOYSA-N 1 0 380.336 3.825 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NCC3([NH+]4CCSCC4)CCCCC3)CC2)c1 ZINC000496225889 888624715 /nfs/dbraw/zinc/62/47/15/888624715.db2.gz XVRCXQGSWFINJQ-UHFFFAOYSA-N 1 0 398.576 3.598 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001132351126 888674086 /nfs/dbraw/zinc/67/40/86/888674086.db2.gz HXECTRFNMZUGJT-NRFANRHFSA-N 1 0 376.903 3.748 20 30 GHEDRO C[C@@]1(COC(=O)Cc2cccc(OCC#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000810602739 888697898 /nfs/dbraw/zinc/69/78/98/888697898.db2.gz HNHRASPHVWJDMS-QHCPKHFHSA-N 1 0 378.472 3.729 20 30 GHEDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866445499 888881779 /nfs/dbraw/zinc/88/17/79/888881779.db2.gz LCEIFLPKXKYACL-QGZVFWFLSA-N 1 0 392.503 3.543 20 30 GHEDRO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000454354746 888898542 /nfs/dbraw/zinc/89/85/42/888898542.db2.gz ZIIDAZDORPLVLI-RBUKOAKNSA-N 1 0 376.504 3.783 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC([C@H](O)c2ccccc2)CC1)C(C)C ZINC000916521826 889079930 /nfs/dbraw/zinc/07/99/30/889079930.db2.gz PYZVCHQXWOTXQL-DHIUTWEWSA-N 1 0 399.579 3.840 20 30 GHEDRO N#Cc1nc(-c2ccccc2)c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)nc1C#N ZINC001170625154 889160585 /nfs/dbraw/zinc/16/05/85/889160585.db2.gz SHANPSMYBCRZMT-UHFFFAOYSA-N 1 0 398.514 3.621 20 30 GHEDRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867941859 889231822 /nfs/dbraw/zinc/23/18/22/889231822.db2.gz KONZFHMJKYINLD-YJYMSZOUSA-N 1 0 376.485 3.574 20 30 GHEDRO O=C(N[C@@]12CC[N@H+](C1)CCC2)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001132686361 889301156 /nfs/dbraw/zinc/30/11/56/889301156.db2.gz GEXHGDJNVDUQHO-AWEZNQCLSA-N 1 0 398.322 3.944 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C(F)(F)F)c1 ZINC000868167556 889330713 /nfs/dbraw/zinc/33/07/13/889330713.db2.gz RUOPRPLAJQRBMF-QGZVFWFLSA-N 1 0 392.356 3.768 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 ZINC000868208795 889352990 /nfs/dbraw/zinc/35/29/90/889352990.db2.gz BSUIKNLNMLVABI-PXAZEXFGSA-N 1 0 376.382 3.681 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2ccc(Br)cc2C#N)C1 ZINC000811445047 889601430 /nfs/dbraw/zinc/60/14/30/889601430.db2.gz OJACKWYWTVYUCQ-KRWDZBQOSA-N 1 0 383.261 3.576 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)cc(OC)c1O ZINC000124843038 889787990 /nfs/dbraw/zinc/78/79/90/889787990.db2.gz BEIOOCIUMXIHHZ-UHFFFAOYSA-N 1 0 395.499 3.836 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000064381105 889924266 /nfs/dbraw/zinc/92/42/66/889924266.db2.gz ZRHCEDQUGXJXKG-UHFFFAOYSA-N 1 0 395.463 3.646 20 30 GHEDRO C[C@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4cccc(C#N)c4)nc(N)c32)C1 ZINC000533221410 890033712 /nfs/dbraw/zinc/03/37/12/890033712.db2.gz PEYCTKMGFUUWLV-AWEZNQCLSA-N 1 0 391.544 3.944 20 30 GHEDRO C#C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000811963042 890169010 /nfs/dbraw/zinc/16/90/10/890169010.db2.gz FMLGRDSQPDNVDT-VWPQPMDRSA-N 1 0 393.918 3.788 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000533298142 890238715 /nfs/dbraw/zinc/23/87/15/890238715.db2.gz IDSBHPLWMLRWRR-CCCFKSPXSA-N 1 0 388.600 3.502 20 30 GHEDRO COC1CCC([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000533299639 890245924 /nfs/dbraw/zinc/24/59/24/890245924.db2.gz GTPNXQSVPPQQGO-UHFFFAOYSA-N 1 0 386.540 3.920 20 30 GHEDRO COCc1sccc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000870457292 890364220 /nfs/dbraw/zinc/36/42/20/890364220.db2.gz UPIKTLVHQZDQIV-UHFFFAOYSA-N 1 0 384.501 3.857 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000812187610 890396442 /nfs/dbraw/zinc/39/64/42/890396442.db2.gz ALLWQMSAGSLRPC-WBVHZDCISA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCC1(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000644703882 913470106 /nfs/dbraw/zinc/47/01/06/913470106.db2.gz SZBXYXMHNRZAPP-BHIFYINESA-N 1 0 382.548 3.776 20 30 GHEDRO C=CCC1(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000644703884 913470516 /nfs/dbraw/zinc/47/05/16/913470516.db2.gz SZBXYXMHNRZAPP-YPAWHYETSA-N 1 0 382.548 3.776 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871095436 890643429 /nfs/dbraw/zinc/64/34/29/890643429.db2.gz UEFIEOSZBFWPEK-YQVWRLOYSA-N 1 0 399.514 3.664 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533511888 890727062 /nfs/dbraw/zinc/72/70/62/890727062.db2.gz PHHGTWKECGBAEO-LFSUZKGVSA-N 1 0 388.600 3.643 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)cc1 ZINC000533501570 890751574 /nfs/dbraw/zinc/75/15/74/890751574.db2.gz HATVADYJDFASFZ-FQEVSTJZSA-N 1 0 392.503 3.779 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000027367636 890819779 /nfs/dbraw/zinc/81/97/79/890819779.db2.gz MJLQJELVGCUATR-UHFFFAOYSA-N 1 0 376.504 3.537 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000066389294 890927597 /nfs/dbraw/zinc/92/75/97/890927597.db2.gz SHKFDVXLUMXGDZ-KRWDZBQOSA-N 1 0 376.928 3.567 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000066389303 890927729 /nfs/dbraw/zinc/92/77/29/890927729.db2.gz JOIRIGNZLXSKIJ-KRWDZBQOSA-N 1 0 378.944 3.791 20 30 GHEDRO C=C(C)C[C@H](C)C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812772138 890947488 /nfs/dbraw/zinc/94/74/88/890947488.db2.gz AKRHUYKSWUPHBY-VIQWUECVSA-N 1 0 393.572 3.569 20 30 GHEDRO N#CCc1ccnc(NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000871737151 890995725 /nfs/dbraw/zinc/99/57/25/890995725.db2.gz LLNTUSMVDHOVIQ-UHFFFAOYSA-N 1 0 377.492 3.571 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812851736 891042561 /nfs/dbraw/zinc/04/25/61/891042561.db2.gz BIRWYGICITYMRY-HYBUGGRVSA-N 1 0 393.531 3.994 20 30 GHEDRO CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000872031364 891125693 /nfs/dbraw/zinc/12/56/93/891125693.db2.gz IZHHBGZKPATZEA-JOCHJYFZSA-N 1 0 396.510 3.687 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000812936146 891144669 /nfs/dbraw/zinc/14/46/69/891144669.db2.gz MKLFAZIMJCOTAR-IMFGXOCKSA-N 1 0 385.508 3.944 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000872221121 891213103 /nfs/dbraw/zinc/21/31/03/891213103.db2.gz WBADBAQIWNCXMD-SJORKVTESA-N 1 0 385.508 3.560 20 30 GHEDRO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1C ZINC000813017122 891217874 /nfs/dbraw/zinc/21/78/74/891217874.db2.gz DLHZUYLDESFBKR-OAQYLSRUSA-N 1 0 383.471 3.512 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1=S ZINC000872723497 891313639 /nfs/dbraw/zinc/31/36/39/891313639.db2.gz LUVJDZNLYCAFKI-RBUKOAKNSA-N 1 0 383.565 3.559 20 30 GHEDRO Cc1ccc(-c2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000917126282 891343094 /nfs/dbraw/zinc/34/30/94/891343094.db2.gz SYHMDWKEVOBZQN-UHFFFAOYSA-N 1 0 384.483 3.928 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cncc(Br)c3)CC2)C1=O ZINC001275359143 913558029 /nfs/dbraw/zinc/55/80/29/913558029.db2.gz NJHAUJXCMIJZJV-IBGZPJMESA-N 1 0 392.341 3.625 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000497412544 891558167 /nfs/dbraw/zinc/55/81/67/891558167.db2.gz RFNICXPXNMUNJW-UHFFFAOYSA-N 1 0 385.483 3.823 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873310129 891575495 /nfs/dbraw/zinc/57/54/95/891575495.db2.gz NMJHFJDHLQMMFT-JHJVBQTASA-N 1 0 386.443 3.539 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873317096 891579660 /nfs/dbraw/zinc/57/96/60/891579660.db2.gz ZVZBDXGJJLMJRR-QAPCUYQASA-N 1 0 388.487 3.880 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000179221860 891624253 /nfs/dbraw/zinc/62/42/53/891624253.db2.gz POTRLMFNONMJKA-YJYMSZOUSA-N 1 0 387.842 3.838 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C2(Cc3cccc(OC)c3)CCCCC2)CC1 ZINC000813460795 891655592 /nfs/dbraw/zinc/65/55/92/891655592.db2.gz DRFLOGBQUWPJEA-UHFFFAOYSA-N 1 0 382.548 3.792 20 30 GHEDRO CC[N@H+](CC(=O)NCCOc1cccc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599875 891977210 /nfs/dbraw/zinc/97/72/10/891977210.db2.gz MZSQORMQAQNLKW-INIZCTEOSA-N 1 0 385.895 3.790 20 30 GHEDRO C#CCN(C(=O)c1cc(CC)nc2onc(CC(C)(C)C)c21)C1CC[NH+](C)CC1 ZINC001134043678 892207505 /nfs/dbraw/zinc/20/75/05/892207505.db2.gz LRHPNDNCFJJFMM-UHFFFAOYSA-N 1 0 396.535 3.543 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1cccc(CO)c1 ZINC000154474636 892343596 /nfs/dbraw/zinc/34/35/96/892343596.db2.gz HMSCBRBWHMKIQX-QGZVFWFLSA-O 1 0 399.580 3.992 20 30 GHEDRO C=CC[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000497776656 892387827 /nfs/dbraw/zinc/38/78/27/892387827.db2.gz UDSKKWQLFCQXBV-JRFVFWCSSA-N 1 0 392.543 3.511 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)N[C@@H](C)CC)cc1 ZINC000154483114 892411098 /nfs/dbraw/zinc/41/10/98/892411098.db2.gz OZDVVHDFKKZBSD-HNNXBMFYSA-O 1 0 383.537 3.798 20 30 GHEDRO COc1cccc2c1CC[C@@H]([NH2+]C1CCC(Oc3ccc(C#N)cn3)CC1)C2 ZINC000192446309 892421105 /nfs/dbraw/zinc/42/11/05/892421105.db2.gz FOHSYXLZPJAOOH-IOJLRTSASA-N 1 0 377.488 3.799 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3csc(-c4ccccc4)n3)CC2)nc1 ZINC000237851689 892478973 /nfs/dbraw/zinc/47/89/73/892478973.db2.gz VUVDPCSFVVEJDB-UHFFFAOYSA-N 1 0 375.501 3.835 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000774835261 913669025 /nfs/dbraw/zinc/66/90/25/913669025.db2.gz LHLNHSDZVLKZMS-DNVCBOLYSA-N 1 0 386.455 3.973 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288143883 913669796 /nfs/dbraw/zinc/66/97/96/913669796.db2.gz OUZYTTALOBPAQT-DFNIBXOVSA-N 1 0 383.536 3.561 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C)cc1 ZINC000154509605 892512812 /nfs/dbraw/zinc/51/28/12/892512812.db2.gz YLQUBOWRJFYWHQ-ZDUSSCGKSA-O 1 0 386.541 3.757 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)N[C@H](C)CC)[n+]2ccc(N(C)C)cc2)cc1 ZINC000154523973 892568821 /nfs/dbraw/zinc/56/88/21/892568821.db2.gz ZAVFCALOWRLTRY-MRXNPFEDSA-O 1 0 384.569 3.929 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645106134 913678677 /nfs/dbraw/zinc/67/86/77/913678677.db2.gz JYBMSCAYICCCMK-WMLDXEAASA-N 1 0 382.426 3.874 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000917837344 892635413 /nfs/dbraw/zinc/63/54/13/892635413.db2.gz ONQAOLLPMPEFNR-INIZCTEOSA-N 1 0 384.549 3.526 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000271801677 892878858 /nfs/dbraw/zinc/87/88/58/892878858.db2.gz SFQCENVMHGWDNH-SFHVURJKSA-N 1 0 397.519 3.744 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000272455979 892903399 /nfs/dbraw/zinc/90/33/99/892903399.db2.gz RCQLMNUCKGFYNL-UHFFFAOYSA-N 1 0 382.508 3.602 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657854 893015979 /nfs/dbraw/zinc/01/59/79/893015979.db2.gz TYVIKSBNGSLSGF-MRXNPFEDSA-N 1 0 395.459 3.643 20 30 GHEDRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000814658707 893018597 /nfs/dbraw/zinc/01/85/97/893018597.db2.gz GRNQLDQPADPTSA-HXUWFJFHSA-N 1 0 392.503 3.788 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+]1CCCCC1 ZINC000918035171 893032103 /nfs/dbraw/zinc/03/21/03/893032103.db2.gz LWDCCOIIQVSJGR-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CCN(Cc2cccs2)CC1 ZINC000508735900 893036586 /nfs/dbraw/zinc/03/65/86/893036586.db2.gz XXBMTDBTANNEDF-UHFFFAOYSA-N 1 0 383.496 3.654 20 30 GHEDRO COc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)cc1C#N ZINC000814678629 893059947 /nfs/dbraw/zinc/05/99/47/893059947.db2.gz WKVBYBKDFJNALB-HDICACEKSA-N 1 0 385.508 3.646 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000933550878 893072353 /nfs/dbraw/zinc/07/23/53/893072353.db2.gz LVNVYBDWSXUGGJ-UHFFFAOYSA-N 1 0 397.544 3.515 20 30 GHEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000562985694 893245470 /nfs/dbraw/zinc/24/54/70/893245470.db2.gz CWPSYPWYZSGQCQ-CYBMUJFWSA-N 1 0 397.327 3.860 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000876690290 893290857 /nfs/dbraw/zinc/29/08/57/893290857.db2.gz UGUDAIFXJAZNJJ-HKUYNNGSSA-N 1 0 392.858 3.518 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000918197059 893303559 /nfs/dbraw/zinc/30/35/59/893303559.db2.gz FTBHANWFFNRJOR-KRWDZBQOSA-N 1 0 394.696 3.938 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNCc3cc(C#N)cnc3Cl)cc2)C[C@H](C)O1 ZINC000876915840 893386759 /nfs/dbraw/zinc/38/67/59/893386759.db2.gz DDRRBOLYLONHGR-IYBDPMFKSA-N 1 0 384.911 3.506 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000876931144 893393149 /nfs/dbraw/zinc/39/31/49/893393149.db2.gz JQYVRGRGELVIIN-UHFFFAOYSA-N 1 0 395.816 3.779 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000876974521 893417709 /nfs/dbraw/zinc/41/77/09/893417709.db2.gz JUCIZMKSCGOQNF-UHFFFAOYSA-N 1 0 383.908 3.975 20 30 GHEDRO C=CCNc1ncc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000129447935 893424168 /nfs/dbraw/zinc/42/41/68/893424168.db2.gz KMKUZJMPFIRIAY-SFHVURJKSA-N 1 0 384.549 3.725 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)c1 ZINC000536653596 893427055 /nfs/dbraw/zinc/42/70/55/893427055.db2.gz VTIQKTMYXXLAOV-UHFFFAOYSA-N 1 0 391.500 3.861 20 30 GHEDRO C#CCNC(=O)CC[NH2+][C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC000815086736 893433138 /nfs/dbraw/zinc/43/31/38/893433138.db2.gz UIDWYHYNRMYWHS-FQEVSTJZSA-N 1 0 390.405 3.533 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000918373852 893563182 /nfs/dbraw/zinc/56/31/82/893563182.db2.gz HESUFWYNSAFBJG-UHFFFAOYSA-N 1 0 394.519 3.979 20 30 GHEDRO [NH3+][C@@H](CC(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000498215109 893628516 /nfs/dbraw/zinc/62/85/16/893628516.db2.gz BQIPUJIWALRJTC-ZETCQYMHSA-N 1 0 378.313 3.984 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000459516094 893683518 /nfs/dbraw/zinc/68/35/18/893683518.db2.gz ATIDHIVSJFWZEG-JOCHJYFZSA-N 1 0 377.488 3.770 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000877588761 893704930 /nfs/dbraw/zinc/70/49/30/893704930.db2.gz XXYBWNFHJZLVMY-BHIYHBOVSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137124017 893712259 /nfs/dbraw/zinc/71/22/59/893712259.db2.gz MDOCSRZUEUTASN-LJQANCHMSA-N 1 0 385.508 3.858 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459521759 893720078 /nfs/dbraw/zinc/72/00/78/893720078.db2.gz LOYQJLYUALZDNS-QFIPXVFZSA-N 1 0 393.527 3.719 20 30 GHEDRO C#C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C1CCOCC1 ZINC000877637766 893735881 /nfs/dbraw/zinc/73/58/81/893735881.db2.gz LYQOTFIMXIGSJF-SLFFLAALSA-N 1 0 391.353 3.602 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1O ZINC000877682813 893760242 /nfs/dbraw/zinc/76/02/42/893760242.db2.gz UDWBLXWGGCPUOW-QGZVFWFLSA-N 1 0 379.504 3.852 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000934741074 893865023 /nfs/dbraw/zinc/86/50/23/893865023.db2.gz MHQIGXGUJAXZOX-OAQYLSRUSA-N 1 0 377.529 3.562 20 30 GHEDRO OC[C@@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@H]1C(F)(F)F ZINC000563571153 893917403 /nfs/dbraw/zinc/91/74/03/893917403.db2.gz LGABTVOESHEHFT-NWDGAFQWSA-N 1 0 389.311 3.760 20 30 GHEDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000536830960 893939703 /nfs/dbraw/zinc/93/97/03/893939703.db2.gz GCFABOOWIZRKLL-SFYZADRCSA-N 1 0 379.272 3.853 20 30 GHEDRO CCCCCC(=O)NC1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878018414 893951312 /nfs/dbraw/zinc/95/13/12/893951312.db2.gz VXIUZTYSYOHGID-HSZRJFAPSA-N 1 0 383.536 3.588 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000918577035 894029349 /nfs/dbraw/zinc/02/93/49/894029349.db2.gz UKJFZFXRRFJEAI-SFHVURJKSA-N 1 0 379.504 3.971 20 30 GHEDRO CCc1ccc(C#CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000815609998 894042945 /nfs/dbraw/zinc/04/29/45/894042945.db2.gz ZBJRJVDVSZGIFG-FQEVSTJZSA-N 1 0 390.527 3.617 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2(C3CCC3)CCC2)c1C#N ZINC000459780542 894182296 /nfs/dbraw/zinc/18/22/96/894182296.db2.gz VVPFCZHZEHKPDS-UHFFFAOYSA-N 1 0 380.492 3.869 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000537061598 894252729 /nfs/dbraw/zinc/25/27/29/894252729.db2.gz RXKGRCXJCGQCPS-QWQRMKEZSA-N 1 0 385.430 3.721 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000537053242 894273535 /nfs/dbraw/zinc/27/35/35/894273535.db2.gz IHFRCEDPQBTKTJ-STSQHVNTSA-N 1 0 394.519 3.754 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@H]21 ZINC000878471804 894317625 /nfs/dbraw/zinc/31/76/25/894317625.db2.gz BFQAVLRJFZUZNB-DYESRHJHSA-N 1 0 376.460 3.908 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000537124330 894348184 /nfs/dbraw/zinc/34/81/84/894348184.db2.gz LTNREOQEBHQBLX-WIEQDCTASA-N 1 0 375.488 3.708 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC000878619175 894445304 /nfs/dbraw/zinc/44/53/04/894445304.db2.gz AHPBTAMNTHRJGY-UTKZUKDTSA-N 1 0 376.460 3.908 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC2(CC#N)CC2)C1 ZINC000878811388 894637292 /nfs/dbraw/zinc/63/72/92/894637292.db2.gz FUDLWNJUUPJUKQ-KURKYZTESA-N 1 0 377.529 3.607 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000879024600 894790738 /nfs/dbraw/zinc/79/07/38/894790738.db2.gz ZNYLSKKPIUHZNB-IBGZPJMESA-N 1 0 375.394 3.885 20 30 GHEDRO N#CC1(CCCN[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CCOCC1 ZINC000879180284 894884324 /nfs/dbraw/zinc/88/43/24/894884324.db2.gz MLMNKKNABAIURE-NRFANRHFSA-N 1 0 384.520 3.774 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(C(F)(F)F)c1 ZINC000564529523 895056213 /nfs/dbraw/zinc/05/62/13/895056213.db2.gz PNMFKCFLQGAHEW-OAHLLOKOSA-N 1 0 375.398 3.952 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879670275 895219111 /nfs/dbraw/zinc/21/91/11/895219111.db2.gz NJJVGOXDEDMKKG-RBSFLKMASA-N 1 0 386.377 3.710 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000127941706 895236084 /nfs/dbraw/zinc/23/60/84/895236084.db2.gz UCGOIZRVWBGAIC-FQEVSTJZSA-N 1 0 376.504 3.524 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000564844564 895278842 /nfs/dbraw/zinc/27/88/42/895278842.db2.gz JEKYTMQSVNEGOP-LOSJGSFVSA-N 1 0 394.559 3.702 20 30 GHEDRO CNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000023604786 895396209 /nfs/dbraw/zinc/39/62/09/895396209.db2.gz GNTDFWXYHYCSSQ-UHFFFAOYSA-O 1 0 378.521 3.668 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCCc3cccc(C#N)c3)cc2)CC1 ZINC000565381299 895579528 /nfs/dbraw/zinc/57/95/28/895579528.db2.gz XXLBCVRBPIDLJF-UHFFFAOYSA-N 1 0 390.531 3.832 20 30 GHEDRO CCOC(=O)c1csc(CC2CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC000880263916 895599357 /nfs/dbraw/zinc/59/93/57/895599357.db2.gz ZEDWJUPUVIJJHU-UHFFFAOYSA-N 1 0 375.519 3.708 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000565436040 895622910 /nfs/dbraw/zinc/62/29/10/895622910.db2.gz DASCDTTXLTXUCE-NRFANRHFSA-N 1 0 394.906 3.576 20 30 GHEDRO C=CCCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000880389086 895681649 /nfs/dbraw/zinc/68/16/49/895681649.db2.gz RABGFMBDXATREO-JOCHJYFZSA-N 1 0 399.579 3.779 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880716573 895829225 /nfs/dbraw/zinc/82/92/25/895829225.db2.gz SNKINALPBYEABA-MRXNPFEDSA-N 1 0 384.430 3.822 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000565946997 896002822 /nfs/dbraw/zinc/00/28/22/896002822.db2.gz HGVRQBGRNPOSAD-GCJKJVERSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccnn1-c1ccccc1 ZINC000565985195 896028374 /nfs/dbraw/zinc/02/83/74/896028374.db2.gz AQOKMSOPDWZECE-DYESRHJHSA-N 1 0 385.471 3.590 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000818584584 896213895 /nfs/dbraw/zinc/21/38/95/896213895.db2.gz PQHZCWGIVIVECE-UHFFFAOYSA-N 1 0 386.499 3.533 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)nc1 ZINC000819007945 896323142 /nfs/dbraw/zinc/32/31/42/896323142.db2.gz IOYQGPXNODDVLA-GOSISDBHSA-N 1 0 391.302 3.552 20 30 GHEDRO C=C[C@H]1C[C@@]1(Nc1nccc2c1CC[N@H+](Cc1ccccc1)C2)C(=O)OCC ZINC001170920831 896376706 /nfs/dbraw/zinc/37/67/06/896376706.db2.gz AJRJQDBBGUXBPH-CVDCTZTESA-N 1 0 377.488 3.560 20 30 GHEDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000819232836 896522821 /nfs/dbraw/zinc/52/28/21/896522821.db2.gz PYXWOWCMSCMHIT-RTBURBONSA-N 1 0 377.410 3.503 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000882120605 896668797 /nfs/dbraw/zinc/66/87/97/896668797.db2.gz YGDBRGFNCQWWSA-YLJYHZDGSA-N 1 0 375.476 3.594 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)CC1 ZINC000129495765 896697624 /nfs/dbraw/zinc/69/76/24/896697624.db2.gz YUIGGFYCAMTVEZ-UHFFFAOYSA-N 1 0 391.496 3.953 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cccc5cccnc54)C3)CC2=O)c1 ZINC001137175721 896743279 /nfs/dbraw/zinc/74/32/79/896743279.db2.gz GQYLMOCGPHXBEY-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 ZINC000129577617 896753557 /nfs/dbraw/zinc/75/35/57/896753557.db2.gz LREANKJIPPRBMN-JOCHJYFZSA-N 1 0 396.918 3.899 20 30 GHEDRO N#Cc1ccc(C2(C(=O)Nc3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)cc3)CC2)cc1 ZINC000882395032 896787002 /nfs/dbraw/zinc/78/70/02/896787002.db2.gz NXNXWYYGCUEVNO-JOCHJYFZSA-N 1 0 386.499 3.513 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000819560394 896848407 /nfs/dbraw/zinc/84/84/07/896848407.db2.gz SRNTVTOTIUXCHC-AWEZNQCLSA-N 1 0 388.002 3.780 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(NC2(C(=O)OCc3ccccc3)CCC2)cc1C#N ZINC001170940815 897073963 /nfs/dbraw/zinc/07/39/63/897073963.db2.gz JBJXUECSNWDRPG-LFVJCYFKSA-N 1 0 376.460 3.858 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000289295965 914129971 /nfs/dbraw/zinc/12/99/71/914129971.db2.gz YTEBDWJDURXJOW-UHFFFAOYSA-N 1 0 389.500 3.572 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000130632551 897164145 /nfs/dbraw/zinc/16/41/45/897164145.db2.gz GFCFUCBGVUJKNR-BBRMVZONSA-N 1 0 378.266 3.656 20 30 GHEDRO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](NC(=O)NCC)c1ccnc2ccc(OC)cc21 ZINC001202552100 897166619 /nfs/dbraw/zinc/16/66/19/897166619.db2.gz PXMSZPRAMOKNQV-AERDPVEMSA-N 1 0 394.519 3.500 20 30 GHEDRO N#CC1(C[NH2+]C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CCC1 ZINC000567694494 897342768 /nfs/dbraw/zinc/34/27/68/897342768.db2.gz UULSIJPWEQJAFF-FQEVSTJZSA-N 1 0 386.442 3.715 20 30 GHEDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000805749559 897361087 /nfs/dbraw/zinc/36/10/87/897361087.db2.gz NYYVXHOTGORYHW-FPDPHYFHSA-N 1 0 383.455 3.702 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)[C@H]1CCCO1 ZINC000883220230 897381234 /nfs/dbraw/zinc/38/12/34/897381234.db2.gz GMQOXHUIYBPBDB-MIZPHKNDSA-N 1 0 397.519 3.515 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000302982151 914158672 /nfs/dbraw/zinc/15/86/72/914158672.db2.gz QAPBHCUKUKULFS-NRFANRHFSA-N 1 0 390.531 3.843 20 30 GHEDRO C=CCCC[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000883429805 897578077 /nfs/dbraw/zinc/57/80/77/897578077.db2.gz FPCBVVMXNSXTAC-UGKGYDQZSA-N 1 0 385.552 3.884 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC001136434980 897823141 /nfs/dbraw/zinc/82/31/41/897823141.db2.gz QQYIRYHGPIBIDN-UHFFFAOYSA-N 1 0 390.531 3.930 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1C#N ZINC001136465262 897973430 /nfs/dbraw/zinc/97/34/30/897973430.db2.gz JBNARJPNHWYGIG-MRXNPFEDSA-N 1 0 378.314 3.705 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000568873348 898181297 /nfs/dbraw/zinc/18/12/97/898181297.db2.gz UPRWVMPVFJNPHZ-WDSOQIARSA-N 1 0 390.405 3.853 20 30 GHEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000105306482 898206702 /nfs/dbraw/zinc/20/67/02/898206702.db2.gz KUCTWFXPTQOLAD-GOSISDBHSA-N 1 0 385.537 3.548 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)CC1 ZINC000106322279 898264638 /nfs/dbraw/zinc/26/46/38/898264638.db2.gz HSFYBUALWSLJHR-SFHVURJKSA-N 1 0 398.551 3.863 20 30 GHEDRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000108398925 898379078 /nfs/dbraw/zinc/37/90/78/898379078.db2.gz PPWXJQSZZGKQCL-RBUKOAKNSA-N 1 0 387.524 3.611 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001186009964 914248010 /nfs/dbraw/zinc/24/80/10/914248010.db2.gz KMGMBTIXSCKVGN-UHFFFAOYSA-N 1 0 391.475 3.541 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1Br ZINC000007879416 898468874 /nfs/dbraw/zinc/46/88/74/898468874.db2.gz JSMFSLLPYLDDRP-JTQLQIEISA-N 1 0 394.294 3.680 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1Br ZINC000569462200 898685713 /nfs/dbraw/zinc/68/57/13/898685713.db2.gz YCIMNIZLFQZYHH-MAZHCROVSA-N 1 0 385.309 3.741 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC3c4ccccc4C1c1ccccc13)C2 ZINC000884057726 898708259 /nfs/dbraw/zinc/70/82/59/898708259.db2.gz PAKJYNMFVBXVFT-FHIOUVJDSA-N 1 0 397.522 3.539 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3ccccc3nc1OC)C2 ZINC001137202187 898797943 /nfs/dbraw/zinc/79/79/43/898797943.db2.gz AHCGDCFSGTXQHZ-GGAORHGYSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc3ccccc3nc1OC)C2 ZINC001137202188 898798315 /nfs/dbraw/zinc/79/83/15/898798315.db2.gz AHCGDCFSGTXQHZ-GMAHTHKFSA-N 1 0 382.504 3.817 20 30 GHEDRO N#Cc1cccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000155455324 898801884 /nfs/dbraw/zinc/80/18/84/898801884.db2.gz JZPXBVOGTBVHLK-FQEVSTJZSA-N 1 0 389.421 3.740 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000823232209 898889868 /nfs/dbraw/zinc/88/98/68/898889868.db2.gz NCIXWDUGNDHULG-JOCHJYFZSA-N 1 0 391.515 3.610 20 30 GHEDRO N#CCc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000569806002 898964000 /nfs/dbraw/zinc/96/40/00/898964000.db2.gz BWNVWLSGBXXLLC-LJQANCHMSA-N 1 0 382.533 3.526 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1C ZINC000570017957 899073623 /nfs/dbraw/zinc/07/36/23/899073623.db2.gz PFNJOEMEUXRVKZ-IRLDBZIGSA-N 1 0 395.547 3.831 20 30 GHEDRO N#Cc1c(F)cc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1F ZINC000823508554 899085562 /nfs/dbraw/zinc/08/55/62/899085562.db2.gz KZZYJTBEXCCHPX-UHFFFAOYSA-N 1 0 396.441 3.621 20 30 GHEDRO COc1ccccc1-c1ccc([C@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884153319 899100396 /nfs/dbraw/zinc/10/03/96/899100396.db2.gz IJCICEKJZHYPNC-OYPDGGDBSA-N 1 0 389.499 3.679 20 30 GHEDRO CC(C)c1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C(C)C)cc1 ZINC000570360842 899279657 /nfs/dbraw/zinc/27/96/57/899279657.db2.gz AESFBFSATBWJKT-NRFANRHFSA-N 1 0 385.533 3.837 20 30 GHEDRO Cc1ccc(Oc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cn2)cc1C ZINC000884187488 899281601 /nfs/dbraw/zinc/28/16/01/899281601.db2.gz GUNMQJIKDYHVIY-JQHMZKTJSA-N 1 0 376.460 3.569 20 30 GHEDRO Cc1cccc(Oc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cn2)c1C ZINC000884222079 899412883 /nfs/dbraw/zinc/41/28/83/899412883.db2.gz HZKVRXJZBCRKFU-JQHMZKTJSA-N 1 0 376.460 3.569 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c[nH]cc3Cc3ccccc3)CC2)c1 ZINC000824115757 899417604 /nfs/dbraw/zinc/41/76/04/899417604.db2.gz YULUVJWSEUBKND-UHFFFAOYSA-N 1 0 398.510 3.872 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000570859130 899645979 /nfs/dbraw/zinc/64/59/79/899645979.db2.gz YARPOGKQDIIPOR-IOMROCGXSA-N 1 0 383.561 3.686 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119721407 899671511 /nfs/dbraw/zinc/67/15/11/899671511.db2.gz OXARCCMNXGGDQS-RHSMWYFYSA-N 1 0 375.538 3.955 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C2 ZINC000884320087 899784021 /nfs/dbraw/zinc/78/40/21/899784021.db2.gz KKHMLYXYMOKYRN-XPAIEJECSA-N 1 0 391.437 3.597 20 30 GHEDRO Cc1ccc(OCc2ccccc2)c(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1 ZINC000884323610 899794932 /nfs/dbraw/zinc/79/49/32/899794932.db2.gz UEXXWKSFTWLZAJ-KPRXVCGWSA-N 1 0 375.472 3.652 20 30 GHEDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000571353496 899839302 /nfs/dbraw/zinc/83/93/02/899839302.db2.gz GCIAAVQKIHDKIL-UHFFFAOYSA-N 1 0 380.439 3.889 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000571437998 899867463 /nfs/dbraw/zinc/86/74/63/899867463.db2.gz PVHCBSSUVGGLIV-KRWDZBQOSA-N 1 0 379.460 3.566 20 30 GHEDRO N#Cc1nc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)ccc1C(F)(F)F ZINC000333012084 899891768 /nfs/dbraw/zinc/89/17/68/899891768.db2.gz BHZJSQRMLQTCBF-SNVBAGLBSA-N 1 0 394.426 3.517 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778804199 899984836 /nfs/dbraw/zinc/98/48/36/899984836.db2.gz LSQRFTLOGSJLOX-SIKLNZKXSA-N 1 0 393.506 3.881 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)[C@@H]2C1 ZINC000825290409 900073012 /nfs/dbraw/zinc/07/30/12/900073012.db2.gz WNHVHCVXUBOQMA-AZUAARDMSA-N 1 0 385.508 3.810 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)cc1 ZINC000825305139 900080706 /nfs/dbraw/zinc/08/07/06/900080706.db2.gz DNGBVXSZAZAKJZ-IFXJQAMLSA-N 1 0 389.293 3.905 20 30 GHEDRO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001143719313 900401855 /nfs/dbraw/zinc/40/18/55/900401855.db2.gz VTDKYVCZEMJMDD-QFIPXVFZSA-N 1 0 397.881 3.975 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(Cc3c(Cl)cccc3C#N)C[C@@H]21 ZINC001143722795 900440719 /nfs/dbraw/zinc/44/07/19/900440719.db2.gz GYSKYCIFTGCYDM-ZJOUEHCJSA-N 1 0 394.906 3.753 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[N@@H+]1C ZINC000289960221 914449190 /nfs/dbraw/zinc/44/91/90/914449190.db2.gz WWDBIPPMDJQIIV-CRAIPNDOSA-N 1 0 379.464 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000885974793 900660255 /nfs/dbraw/zinc/66/02/55/900660255.db2.gz CHCITQARHCFRJO-GBESFXJTSA-N 1 0 391.556 3.543 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3sccc3Br)CC2)C1=O ZINC001275514572 914464664 /nfs/dbraw/zinc/46/46/64/914464664.db2.gz BYHFCAIMPGOIRX-UHFFFAOYSA-N 1 0 396.354 3.629 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000574193984 900815249 /nfs/dbraw/zinc/81/52/49/900815249.db2.gz UQIJNEBIDMVJSW-HOIFWPIMSA-N 1 0 380.492 3.967 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+]C2(c3cccc(C#N)c3)CC2)sc2c1CCCC2 ZINC000574349385 900855407 /nfs/dbraw/zinc/85/54/07/900855407.db2.gz AHPAOUFWCRVBBT-UHFFFAOYSA-N 1 0 390.512 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC000844462369 900893014 /nfs/dbraw/zinc/89/30/14/900893014.db2.gz OJANXVRUUNFRAH-NJDAHSKKSA-N 1 0 399.535 3.985 20 30 GHEDRO C=CCn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000574488065 900902797 /nfs/dbraw/zinc/90/27/97/900902797.db2.gz KPLRNXLVJHUQCA-HMXCVIKNSA-N 1 0 395.551 3.630 20 30 GHEDRO C[C@H]1CC2(C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000886252074 900909775 /nfs/dbraw/zinc/90/97/75/900909775.db2.gz SLJPJAPXABAOJI-ROUUACIJSA-N 1 0 391.556 3.543 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000886345085 900943563 /nfs/dbraw/zinc/94/35/63/900943563.db2.gz RKAPZNWBUJHOSK-OAHLLOKOSA-N 1 0 383.414 3.679 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000067120691 901040769 /nfs/dbraw/zinc/04/07/69/901040769.db2.gz RRWKIPHJVQLMPI-UHFFFAOYSA-N 1 0 378.398 3.662 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cncc(C#N)c2)C[C@H]1c1ccccc1F ZINC001171134015 901051606 /nfs/dbraw/zinc/05/16/06/901051606.db2.gz UCPFUHMOKNAWBV-AZUAARDMSA-N 1 0 396.466 3.585 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1C)C(C)C ZINC001144198201 901239359 /nfs/dbraw/zinc/23/93/59/901239359.db2.gz XVMYXXDSAWPLPA-FQEVSTJZSA-N 1 0 384.499 3.748 20 30 GHEDRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](C#N)CCC#N ZINC000575672941 901261751 /nfs/dbraw/zinc/26/17/51/901261751.db2.gz SYXWPJPMVANTQL-DZGCQCFKSA-N 1 0 381.261 3.645 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCC[C@@]2(C)CO)c1C#N ZINC000575809293 901326107 /nfs/dbraw/zinc/32/61/07/901326107.db2.gz NKKNXRSJRJSXFC-UGKGYDQZSA-N 1 0 386.540 3.561 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CCOCC1 ZINC000887123207 901444990 /nfs/dbraw/zinc/44/49/90/901444990.db2.gz FCNFNPZEKFQCQL-JOCHJYFZSA-N 1 0 396.918 3.708 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000091247679 901445077 /nfs/dbraw/zinc/44/50/77/901445077.db2.gz IKHNPCIXDZRIMA-UTKZUKDTSA-N 1 0 376.504 3.849 20 30 GHEDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CC(C)(C)CCC#N)CC3)cc2NC1=O ZINC000093008058 901522896 /nfs/dbraw/zinc/52/28/96/901522896.db2.gz XOBVSJNVMCOBOR-HNNXBMFYSA-N 1 0 383.492 3.631 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000576043327 901613698 /nfs/dbraw/zinc/61/36/98/901613698.db2.gz JPQMHLKCNSVPIT-IBGZPJMESA-N 1 0 377.492 3.775 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000576151402 901728729 /nfs/dbraw/zinc/72/87/29/901728729.db2.gz RHHLWPKKELEXFI-WIYYLYMNSA-N 1 0 377.488 3.691 20 30 GHEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc4ccccc4nc3C(C#N)C#N)c2c1 ZINC001171165468 901857521 /nfs/dbraw/zinc/85/75/21/901857521.db2.gz IPDBLMGIMYPYKT-HNNXBMFYSA-N 1 0 380.455 3.903 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001144411246 902073007 /nfs/dbraw/zinc/07/30/07/902073007.db2.gz ABWQPDWMJNZLEU-FXAWDEMLSA-N 1 0 375.900 3.790 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1OCCc2sccc21 ZINC000576531760 902079044 /nfs/dbraw/zinc/07/90/44/902079044.db2.gz BNJIEFRSUAGLOR-IJRHLTLESA-N 1 0 389.565 3.659 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000576578487 902108052 /nfs/dbraw/zinc/10/80/52/902108052.db2.gz XISGZWJPLCPPNA-MAUKXSAKSA-N 1 0 395.311 3.784 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1F ZINC001171183605 902177800 /nfs/dbraw/zinc/17/78/00/902177800.db2.gz GSBKUNLEXAXCNV-LZQZEXGQSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001171186688 902196101 /nfs/dbraw/zinc/19/61/01/902196101.db2.gz YLBBPBHXLHXZGX-YOEHRIQHSA-N 1 0 379.451 3.724 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1cnc2c(C#N)cnn2c1)Oc1ccc(Cl)c(Cl)c1 ZINC000576876088 902327465 /nfs/dbraw/zinc/32/74/65/902327465.db2.gz PLGVHSYVYXQEAN-GFCCVEGCSA-N 1 0 390.274 3.807 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)cc1 ZINC001144569340 902399115 /nfs/dbraw/zinc/39/91/15/902399115.db2.gz PBTAVJWXVDYKKV-JOCHJYFZSA-N 1 0 376.500 3.761 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)cc1 ZINC001144569341 902399750 /nfs/dbraw/zinc/39/97/50/902399750.db2.gz PBTAVJWXVDYKKV-QFIPXVFZSA-N 1 0 376.500 3.761 20 30 GHEDRO N#CCOc1ccc(CC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000290326848 914630350 /nfs/dbraw/zinc/63/03/50/914630350.db2.gz BEVQFWMOKFDXSX-JOCHJYFZSA-N 1 0 391.515 3.550 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@@H+]([C@@H](C)Cc4cccc(C#N)c4)C3)CC2=O)cc1 ZINC001171208797 902634069 /nfs/dbraw/zinc/63/40/69/902634069.db2.gz DZYHQRUAINRVLY-UUOWRZLLSA-N 1 0 389.499 3.627 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001171212846 902705208 /nfs/dbraw/zinc/70/52/08/902705208.db2.gz QTEDSGOKVXQFOI-IBGZPJMESA-N 1 0 375.520 3.662 20 30 GHEDRO O=C(/C=C/C(=O)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1)c1ccccc1 ZINC001144707770 902711028 /nfs/dbraw/zinc/71/10/28/902711028.db2.gz HQMDWHOXHXCBGA-LTDXDOBXSA-N 1 0 392.474 3.832 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001171217905 902772647 /nfs/dbraw/zinc/77/26/47/902772647.db2.gz SETHQOUVZJWGMT-LZQXYRQZSA-N 1 0 391.515 3.580 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000600715728 902838634 /nfs/dbraw/zinc/83/86/34/902838634.db2.gz HUPVXHLYQHYHIC-JOCHJYFZSA-N 1 0 388.467 3.667 20 30 GHEDRO C[NH+]1CCC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000048161517 902981010 /nfs/dbraw/zinc/98/10/10/902981010.db2.gz RFZKRVWLXAJOPD-UHFFFAOYSA-N 1 0 378.476 3.547 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)N(c1cc(C(F)(F)F)ncn1)C1CC[NH2+]CC1 ZINC001171230608 903038553 /nfs/dbraw/zinc/03/85/53/903038553.db2.gz FIAARDFRICVHRX-AWEZNQCLSA-N 1 0 389.425 3.557 20 30 GHEDRO N#CCOc1cccc(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000131603872 903121977 /nfs/dbraw/zinc/12/19/77/903121977.db2.gz VLCIFDRVMHOEBH-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@@H](N)CC[NH+](C)C)c1ccc(C)c(C)c1 ZINC000846665857 903127768 /nfs/dbraw/zinc/12/77/68/903127768.db2.gz AEGPFKOVZZUBOX-QFIPXVFZSA-N 1 0 395.547 3.680 20 30 GHEDRO C=CCC[C@H](CO)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000577867609 903287743 /nfs/dbraw/zinc/28/77/43/903287743.db2.gz NZUYYWFARSWRGS-GOSISDBHSA-N 1 0 377.554 3.713 20 30 GHEDRO NC(=O)c1ccc(C(=[NH2+])Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC001171255871 903288177 /nfs/dbraw/zinc/28/81/77/903288177.db2.gz ALALGTCFOFVSAC-UHFFFAOYSA-N 1 0 392.440 3.882 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000577901656 903325465 /nfs/dbraw/zinc/32/54/65/903325465.db2.gz MJNOLBBZWDKHMA-UHFFFAOYSA-N 1 0 380.435 3.760 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[N@@H+](C)C3(CCCCC3)C2)cc1C ZINC000846947406 903340547 /nfs/dbraw/zinc/34/05/47/903340547.db2.gz RKZUJROLHVNZDZ-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO C[C@@H](NCc1cn(C[C@@H]2CCOC2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000601114304 903348207 /nfs/dbraw/zinc/34/82/07/903348207.db2.gz WUHUEGBPGRUJLR-MJGOQNOKSA-N 1 0 387.487 3.704 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000846966698 903357659 /nfs/dbraw/zinc/35/76/59/903357659.db2.gz ALISWSLQIGLHAE-LJQANCHMSA-N 1 0 384.524 3.811 20 30 GHEDRO N#CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000601174428 903426520 /nfs/dbraw/zinc/42/65/20/903426520.db2.gz CCTXEAUTZVGOIR-SFHVURJKSA-N 1 0 387.405 3.776 20 30 GHEDRO C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000601184949 903439737 /nfs/dbraw/zinc/43/97/37/903439737.db2.gz ZBQQXDPNNFNTTO-OALUTQOASA-N 1 0 376.504 3.866 20 30 GHEDRO CCc1noc(-c2ccnc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2)n1 ZINC001171274900 903465618 /nfs/dbraw/zinc/46/56/18/903465618.db2.gz JZDYWAKUYYEAID-UHFFFAOYSA-N 1 0 388.475 3.664 20 30 GHEDRO CN(C)C(=O)Sc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001171274499 903466792 /nfs/dbraw/zinc/46/67/92/903466792.db2.gz ATEVTGWNRGLFGI-UHFFFAOYSA-N 1 0 395.532 3.826 20 30 GHEDRO N#CC1(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH+](Cc2ccccc2)CC1 ZINC001186702689 914735632 /nfs/dbraw/zinc/73/56/32/914735632.db2.gz OGXGHQMZWOJPCW-UHFFFAOYSA-N 1 0 392.547 3.813 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000283019185 903734202 /nfs/dbraw/zinc/73/42/02/903734202.db2.gz NWXBEWLWDZMCFR-CYBMUJFWSA-N 1 0 384.402 3.652 20 30 GHEDRO C[NH+](C)CCOc1ccccc1-c1noc(C[C@@H](CC#N)c2ccccc2)n1 ZINC000578366781 903771280 /nfs/dbraw/zinc/77/12/80/903771280.db2.gz SYQNKFIKNQAUSQ-GOSISDBHSA-N 1 0 376.460 3.917 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc(OC(C)C)c2)cc1OCCCC#N ZINC000265299997 903786346 /nfs/dbraw/zinc/78/63/46/903786346.db2.gz MUCOKUMBUZVMAT-NRFANRHFSA-N 1 0 398.503 3.988 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C2)C1=O ZINC001171312177 903835134 /nfs/dbraw/zinc/83/51/34/903835134.db2.gz QUEARKLAIVRBSO-KSFYIVLOSA-N 1 0 388.939 3.706 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+](C)C)cc1 ZINC000578666333 904036628 /nfs/dbraw/zinc/03/66/28/904036628.db2.gz GPOZFNCHZFPUTJ-LJQANCHMSA-N 1 0 387.430 3.656 20 30 GHEDRO C[C@@H](C#N)c1cccc(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC001148625067 904143555 /nfs/dbraw/zinc/14/35/55/904143555.db2.gz UECSLHBSCWVFEP-IBGZPJMESA-N 1 0 375.516 3.998 20 30 GHEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000578999660 904283160 /nfs/dbraw/zinc/28/31/60/904283160.db2.gz BMPYGAQMLYLTLQ-GOTSBHOMSA-N 1 0 397.494 3.842 20 30 GHEDRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000153287009 904347799 /nfs/dbraw/zinc/34/77/99/904347799.db2.gz YQHBRWDLIHUYGM-UHFFFAOYSA-N 1 0 390.531 3.739 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153568342 904377237 /nfs/dbraw/zinc/37/72/37/904377237.db2.gz XLCRFKIKVSGYRS-KNQAVFIVSA-N 1 0 381.520 3.583 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000579359171 904541266 /nfs/dbraw/zinc/54/12/66/904541266.db2.gz GMEDJJQQUSSBAH-UNMCSNQZSA-N 1 0 390.487 3.953 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000579424074 904589959 /nfs/dbraw/zinc/58/99/59/904589959.db2.gz BBLMHSVXANYVOU-QGZVFWFLSA-N 1 0 393.535 3.713 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)cc1Cl ZINC001171522341 904801303 /nfs/dbraw/zinc/80/13/03/904801303.db2.gz JSFAVKXYUFOETE-NRFANRHFSA-N 1 0 397.906 3.813 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000779156027 904809043 /nfs/dbraw/zinc/80/90/43/904809043.db2.gz NRLAXCNERCNBQB-OAHLLOKOSA-N 1 0 378.900 3.699 20 30 GHEDRO Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001171570684 904837035 /nfs/dbraw/zinc/83/70/35/904837035.db2.gz HJTMDIZQYQWSOB-BWKNWUBXSA-N 1 0 385.511 3.853 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189205072 905043960 /nfs/dbraw/zinc/04/39/60/905043960.db2.gz QUJREWGRXSHANT-KNQAVFIVSA-N 1 0 383.536 3.830 20 30 GHEDRO N#Cc1ccccc1OCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877356 905081943 /nfs/dbraw/zinc/08/19/43/905081943.db2.gz NQRQMEBFGJRWPY-OAQYLSRUSA-N 1 0 377.488 3.612 20 30 GHEDRO C=CCN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)CC1 ZINC001172056367 905256775 /nfs/dbraw/zinc/25/67/75/905256775.db2.gz FTRASDRIQGTIBC-IBGZPJMESA-N 1 0 377.573 3.892 20 30 GHEDRO CCN1CC[C@@H]([N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CC1=O ZINC001172048030 905268912 /nfs/dbraw/zinc/26/89/12/905268912.db2.gz LXTDDXVIVCWEDU-DHIUTWEWSA-N 1 0 387.527 3.829 20 30 GHEDRO COC(=O)C1(c2ccc(Br)cc2)CCC([N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001172145231 905357239 /nfs/dbraw/zinc/35/72/39/905357239.db2.gz XBKAKKRUZNBVLD-STJZUHDESA-N 1 0 391.309 3.648 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000801576139 921146963 /nfs/dbraw/zinc/14/69/63/921146963.db2.gz SXAWJLFSDQVIIA-WMZOPIPTSA-N 1 0 395.528 3.860 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001172302765 905455170 /nfs/dbraw/zinc/45/51/70/905455170.db2.gz QKUBXNNDVJAAJV-MNEFBYGVSA-N 1 0 375.488 3.674 20 30 GHEDRO CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172306758 905463096 /nfs/dbraw/zinc/46/30/96/905463096.db2.gz YLKJELJPPBSLCK-QGZVFWFLSA-N 1 0 378.520 3.691 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001172309608 905467509 /nfs/dbraw/zinc/46/75/09/905467509.db2.gz UQPIAUCCKIYAHC-SBUREZEXSA-N 1 0 377.463 3.757 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172313437 905471718 /nfs/dbraw/zinc/47/17/18/905471718.db2.gz WUMUTZOCUWRJCP-QGZVFWFLSA-N 1 0 392.503 3.784 20 30 GHEDRO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)C[C@@H]1C ZINC001172373057 905486133 /nfs/dbraw/zinc/48/61/33/905486133.db2.gz KLCQOOWWBBORGV-WKHFQEMYSA-N 1 0 382.552 3.697 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C2CC[NH+](CCC)CC2)cc1 ZINC000175267175 905499217 /nfs/dbraw/zinc/49/92/17/905499217.db2.gz GYQPMWRWMSHZGR-UHFFFAOYSA-N 1 0 398.551 3.839 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001172356206 905526765 /nfs/dbraw/zinc/52/67/65/905526765.db2.gz VIXIZPXIKAQMCS-YOUFYPILSA-N 1 0 391.556 3.880 20 30 GHEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001172505673 905602111 /nfs/dbraw/zinc/60/21/11/905602111.db2.gz RPEMZHHSPVBIJM-UXHICEINSA-N 1 0 382.589 3.902 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)c(C(F)(F)F)c1 ZINC001172678826 905759155 /nfs/dbraw/zinc/75/91/55/905759155.db2.gz INVHJPWWBYZYPV-GOSISDBHSA-N 1 0 387.405 3.858 20 30 GHEDRO Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)CC2 ZINC001172829894 905860103 /nfs/dbraw/zinc/86/01/03/905860103.db2.gz ACAAKEUAURKAHM-RDGATRHJSA-N 1 0 385.511 3.853 20 30 GHEDRO COC(=O)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000176780110 905931695 /nfs/dbraw/zinc/93/16/95/905931695.db2.gz DYXJUNBEZHIBIJ-GLCCWIKHSA-N 1 0 389.499 3.558 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)cc1OC ZINC000628182833 905996326 /nfs/dbraw/zinc/99/63/26/905996326.db2.gz JJNDXCDCOGUDAN-OALUTQOASA-N 1 0 395.927 3.665 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C[C@H]1C#N ZINC001172966095 906027966 /nfs/dbraw/zinc/02/79/66/906027966.db2.gz MDRDIVIGEURNPC-YQQAZPJKSA-N 1 0 375.444 3.531 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967579 906028124 /nfs/dbraw/zinc/02/81/24/906028124.db2.gz YMJHUOSRRUQETQ-IRXDYDNUSA-N 1 0 398.507 3.615 20 30 GHEDRO Cc1cccc2c(CC[NH3+])cn([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c21 ZINC001172972380 906034504 /nfs/dbraw/zinc/03/45/04/906034504.db2.gz XVEILDCRUAESTO-MSOLQXFVSA-N 1 0 382.508 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](CCO)c2cccc(Cl)c2)C[C@H]1C#N ZINC001172975454 906040690 /nfs/dbraw/zinc/04/06/90/906040690.db2.gz ZNSIVNQISAZDRU-SQNIBIBYSA-N 1 0 393.915 3.645 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(Cl)cc2Cl)C[C@H]1C#N ZINC001172976833 906042461 /nfs/dbraw/zinc/04/24/61/906042461.db2.gz VTSSTFAMJJRZBW-STQMWFEESA-N 1 0 385.295 3.770 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(CC3CCC3)CCOCC2)C[C@H]1C#N ZINC001172977882 906044515 /nfs/dbraw/zinc/04/45/15/906044515.db2.gz JBZMCBGAWSJNFO-MSOLQXFVSA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2([C@@H]3CCOC(C)(C)C3)CC2)C[C@H]1C#N ZINC001172977546 906044538 /nfs/dbraw/zinc/04/45/38/906044538.db2.gz CNVZLGVSLYKFTP-ZACQAIPSSA-N 1 0 377.529 3.605 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172978830 906045596 /nfs/dbraw/zinc/04/55/96/906045596.db2.gz ASWAGUVSBBYPKP-KSZLIROESA-N 1 0 385.508 3.776 20 30 GHEDRO CSc1ccc(OCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172982500 906048361 /nfs/dbraw/zinc/04/83/61/906048361.db2.gz CUDZPSXBDKTCSJ-CVEARBPZSA-N 1 0 391.537 3.669 20 30 GHEDRO COc1cc(OC)cc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172985887 906051979 /nfs/dbraw/zinc/05/19/79/906051979.db2.gz QZXXSXJXBLVKGC-XIRDDKMYSA-N 1 0 389.496 3.646 20 30 GHEDRO N#Cc1ccc2c(c1)CC[N@@H+](C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)C2 ZINC001173009612 906084934 /nfs/dbraw/zinc/08/49/34/906084934.db2.gz FSCOGMBJPFCUCT-UHFFFAOYSA-N 1 0 398.413 3.772 20 30 GHEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015637 906092458 /nfs/dbraw/zinc/09/24/58/906092458.db2.gz URZXUXJJVFWUFD-XMQYKBBCSA-N 1 0 376.407 3.608 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](C3CCC4(CCOCC4)CC3)CC2)cc1 ZINC001173048651 906119931 /nfs/dbraw/zinc/11/99/31/906119931.db2.gz DJWMZLWRWJTBKQ-UHFFFAOYSA-N 1 0 396.535 3.884 20 30 GHEDRO C=CCOC1CCC([NH2+]CC[C@@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001173311499 906364305 /nfs/dbraw/zinc/36/43/05/906364305.db2.gz KSPJNJVDMKROMW-LMDPOFIKSA-N 1 0 394.556 3.506 20 30 GHEDRO C=CCOC1CCC([N@@H+](CCOC)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001173326746 906374086 /nfs/dbraw/zinc/37/40/86/906374086.db2.gz PFQHHXVIKWQFCG-UHFFFAOYSA-N 1 0 396.572 3.848 20 30 GHEDRO N#CCC1CCC([N@@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)CC1 ZINC001173335035 906377589 /nfs/dbraw/zinc/37/75/89/906377589.db2.gz CUNGQOZNRNRTNP-JITJBCMDSA-N 1 0 399.510 3.965 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCN([C@H]2CC[N@@H+](C3CCC(CC#N)CC3)C2)CC1 ZINC001173339100 906381399 /nfs/dbraw/zinc/38/13/99/906381399.db2.gz CPSZWZGKSXFWOV-UUKMXZOPSA-N 1 0 390.572 3.522 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3c(F)ccc(Cl)c3F)CC2)cc1 ZINC001173422501 906456015 /nfs/dbraw/zinc/45/60/15/906456015.db2.gz RCKQBZAGXIPXMO-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCCOc3ccc(Cl)cc3)CC2)cc1 ZINC001173423724 906458349 /nfs/dbraw/zinc/45/83/49/906458349.db2.gz LTAGFJXMNLGFJE-UHFFFAOYSA-N 1 0 397.906 3.875 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC001173427424 906463259 /nfs/dbraw/zinc/46/32/59/906463259.db2.gz VRZBKHURTQSCQL-LEWJYISDSA-N 1 0 379.891 3.962 20 30 GHEDRO COc1cccc([C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C2CC2)c1 ZINC001173429370 906466811 /nfs/dbraw/zinc/46/68/11/906466811.db2.gz QJSIIWIHBSREPK-HSZRJFAPSA-N 1 0 389.499 3.912 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCSC[C@@H]3c3ccccc3)CC2)cc1 ZINC001173433203 906467987 /nfs/dbraw/zinc/46/79/87/906467987.db2.gz NPLWPJIWTYQMIC-JOCHJYFZSA-N 1 0 391.540 3.953 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH+]3CCC(c4ccc(O)cc4)CC3)CC2)cc1 ZINC001173433933 906470502 /nfs/dbraw/zinc/47/05/02/906470502.db2.gz BCUJBNFEPJPANW-UHFFFAOYSA-N 1 0 389.499 3.748 20 30 GHEDRO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001173555838 906530360 /nfs/dbraw/zinc/53/03/60/906530360.db2.gz XAAFJAVRMAFOQP-CQSZACIVSA-N 1 0 390.318 3.798 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179768999 906591765 /nfs/dbraw/zinc/59/17/65/906591765.db2.gz IRNRISJNXTXPPN-CYBMUJFWSA-N 1 0 396.878 3.849 20 30 GHEDRO C=CCOCc1nn(C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c2c1C[NH2+]C2 ZINC001173680248 906619091 /nfs/dbraw/zinc/61/90/91/906619091.db2.gz SJALZBRCSNKZCM-HUUCEWRRSA-N 1 0 390.528 3.538 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[NH2+]C2CCN(Cc3ccccc3C#N)CC2)cc1 ZINC001173718795 906669315 /nfs/dbraw/zinc/66/93/15/906669315.db2.gz FMYBNZBFLWXXNM-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)[NH+]2CCCC2)o1 ZINC000180039101 906674044 /nfs/dbraw/zinc/67/40/44/906674044.db2.gz MGYHBNWXQNPMIL-FUHWJXTLSA-N 1 0 382.464 3.838 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180365520 906755842 /nfs/dbraw/zinc/75/58/42/906755842.db2.gz RRWOESHJSZIYMU-JOCHJYFZSA-N 1 0 388.515 3.763 20 30 GHEDRO C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cccc(F)c1Br)CC2 ZINC001276008345 921274754 /nfs/dbraw/zinc/27/47/54/921274754.db2.gz PYYHBXONIRVLKH-HNNXBMFYSA-N 1 0 395.316 3.883 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000181224488 906948799 /nfs/dbraw/zinc/94/87/99/906948799.db2.gz MIYAFWNFGWBQIU-LPHOPBHVSA-N 1 0 383.517 3.933 20 30 GHEDRO CC(C)(C)C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1 ZINC000181963142 907107069 /nfs/dbraw/zinc/10/70/69/907107069.db2.gz IFVXVNOHTQZHHI-NXDJFEHLSA-N 1 0 375.900 3.933 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)CSc3ccc(C#N)cc3)cc2)CC1 ZINC000182368480 907191383 /nfs/dbraw/zinc/19/13/83/907191383.db2.gz HZSPISYINFTCCZ-UHFFFAOYSA-N 1 0 394.544 3.819 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCC(O)CC4)cc3)CC2)cc1 ZINC000183098757 907326331 /nfs/dbraw/zinc/32/63/31/907326331.db2.gz RXAUAIHNAGZFKN-UHFFFAOYSA-N 1 0 390.531 3.596 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192107933 907422134 /nfs/dbraw/zinc/42/21/34/907422134.db2.gz XUIYTGBTPVVZHI-ICSRJNTNSA-N 1 0 387.842 3.799 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC001175210581 907433523 /nfs/dbraw/zinc/43/35/23/907433523.db2.gz CNFBHBNHWIWERO-NRFANRHFSA-N 1 0 396.579 3.746 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001175965298 907841761 /nfs/dbraw/zinc/84/17/61/907841761.db2.gz BHBRPSSXJGISQC-INIZCTEOSA-N 1 0 388.943 3.879 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCOc3ccc(Br)cc32)cc1 ZINC001176011611 907880472 /nfs/dbraw/zinc/88/04/72/907880472.db2.gz VYALAYFJKCTCNO-SFHVURJKSA-N 1 0 399.288 3.872 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC001176114107 907945663 /nfs/dbraw/zinc/94/56/63/907945663.db2.gz PGZCEFVEDOJJOS-OAQYLSRUSA-N 1 0 377.529 3.562 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H]1CCCC[C@H]1C)[n+]1cccc(C)c1 ZINC000186963164 908012141 /nfs/dbraw/zinc/01/21/41/908012141.db2.gz MZASDWDRFURGJK-RHSMWYFYSA-O 1 0 386.541 3.994 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1cccc(CO)c1 ZINC000186972999 908013100 /nfs/dbraw/zinc/01/31/00/908013100.db2.gz KZIQZHHPMFGPIK-UHFFFAOYSA-O 1 0 385.553 3.800 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)CCCCC1 ZINC001176432024 908088362 /nfs/dbraw/zinc/08/83/62/908088362.db2.gz LQIISZYCXUTNGY-UHFFFAOYSA-N 1 0 388.533 3.668 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(Nc4ccc(F)c(C#N)c4)cc3)CC2)CC1 ZINC001176617588 908186853 /nfs/dbraw/zinc/18/68/53/908186853.db2.gz LOAMDMADUZGXIX-UHFFFAOYSA-N 1 0 393.510 3.657 20 30 GHEDRO C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188671771 908237791 /nfs/dbraw/zinc/23/77/91/908237791.db2.gz XLYITJSWWJVTHF-SJORKVTESA-N 1 0 385.512 3.539 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ncccc1OCCCC#N ZINC000188726224 908243662 /nfs/dbraw/zinc/24/36/62/908243662.db2.gz UKWPNXFRNVHIJV-UHFFFAOYSA-N 1 0 395.507 3.880 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000190610138 908507314 /nfs/dbraw/zinc/50/73/14/908507314.db2.gz OFDWXWUZHSFNSD-IFXJQAMLSA-N 1 0 385.414 3.611 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCSc4ccc(F)cc43)C2=O)cc1 ZINC000190613891 908508853 /nfs/dbraw/zinc/50/88/53/908508853.db2.gz GPVHGANLQQXIOY-RBUKOAKNSA-N 1 0 381.476 3.625 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633941267 908545615 /nfs/dbraw/zinc/54/56/15/908545615.db2.gz IHMOJCNZKJIFGL-UHFFFAOYSA-N 1 0 394.519 3.528 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1[C@]1(C)CCCO1 ZINC000634374091 908695205 /nfs/dbraw/zinc/69/52/05/908695205.db2.gz CLIHBYKNLOCLPL-NRFANRHFSA-N 1 0 387.572 3.725 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000192034205 908710373 /nfs/dbraw/zinc/71/03/73/908710373.db2.gz QLPPDQRMIMMWQJ-JBBXEZCESA-N 1 0 387.867 3.868 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2OCC#N)C1 ZINC000194162050 908862589 /nfs/dbraw/zinc/86/25/89/908862589.db2.gz JOWASRYNLMWZJF-GOSISDBHSA-N 1 0 377.488 3.751 20 30 GHEDRO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000195120085 908968253 /nfs/dbraw/zinc/96/82/53/908968253.db2.gz QPNPFDYDUIXKAK-QFIPXVFZSA-N 1 0 379.504 3.651 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@@H+]1C ZINC000266335947 909084878 /nfs/dbraw/zinc/08/48/78/909084878.db2.gz FPQZDFPNLLCYKG-YOEHRIQHSA-N 1 0 383.521 3.552 20 30 GHEDRO COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)c1 ZINC001179418737 909530798 /nfs/dbraw/zinc/53/07/98/909530798.db2.gz BDQOAQADAOGAPC-JOCHJYFZSA-N 1 0 385.467 3.798 20 30 GHEDRO C#CCC1([NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CCOCC1 ZINC001179620884 909625249 /nfs/dbraw/zinc/62/52/49/909625249.db2.gz IWJSCZCTHRIENA-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC001179686387 909646672 /nfs/dbraw/zinc/64/66/72/909646672.db2.gz XHTZBZZZAALANE-OAHLLOKOSA-N 1 0 375.432 3.760 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1ccc(OC)cc1)c1ccccc1 ZINC001180020414 909892351 /nfs/dbraw/zinc/89/23/51/909892351.db2.gz CIKKAJJKWIWKCH-GMAHTHKFSA-N 1 0 378.516 3.788 20 30 GHEDRO C=CC[N@@H+](Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O)CC1CCCCC1 ZINC001180292140 910076538 /nfs/dbraw/zinc/07/65/38/910076538.db2.gz HXUHDIZYFMYYOV-UHFFFAOYSA-N 1 0 392.503 3.774 20 30 GHEDRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C2CCN(c3ccccc3C#N)CC2)CC1 ZINC001180509324 910219669 /nfs/dbraw/zinc/21/96/69/910219669.db2.gz GWIDBXZXCJHBGE-OYRHEFFESA-N 1 0 382.552 3.544 20 30 GHEDRO C#CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)c1ccccc1 ZINC000270264499 910500463 /nfs/dbraw/zinc/50/04/63/910500463.db2.gz WMTDCCUDLHTTFD-GHTZIAJQSA-N 1 0 394.515 3.795 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000366412197 921583170 /nfs/dbraw/zinc/58/31/70/921583170.db2.gz HCSRGEYIFJQVKD-RRPUWOKSSA-N 1 0 376.504 3.620 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(CC#N)cc1 ZINC000270457553 910574021 /nfs/dbraw/zinc/57/40/21/910574021.db2.gz FXDUBJRTGSKKKX-JOCHJYFZSA-N 1 0 399.498 3.957 20 30 GHEDRO N#Cc1cc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1F ZINC001181182740 910595677 /nfs/dbraw/zinc/59/56/77/910595677.db2.gz PSAKIMOXTUSHIP-LEWJYISDSA-N 1 0 391.490 3.610 20 30 GHEDRO C[C@@](O)(C[NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccc1Br ZINC001181222107 910645333 /nfs/dbraw/zinc/64/53/33/910645333.db2.gz DXJKSQPOWNBVNB-NQKNOSNGSA-N 1 0 385.305 3.870 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cc1 ZINC000246808807 910658070 /nfs/dbraw/zinc/65/80/70/910658070.db2.gz ALWIUWOQNJIQRT-WOJBJXKFSA-N 1 0 378.516 3.770 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)NCC12CC[NH+](CC1)CC2 ZINC001181357292 910723221 /nfs/dbraw/zinc/72/32/21/910723221.db2.gz HQXCXLHQNKRMNI-UHFFFAOYSA-N 1 0 393.616 3.968 20 30 GHEDRO Cc1cccc(N(C(=O)CC2(C#N)CCCCC2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001181346376 910739780 /nfs/dbraw/zinc/73/97/80/910739780.db2.gz QLVPIZWEHOHCLS-NFBKMPQASA-N 1 0 381.520 3.713 20 30 GHEDRO COc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1OCCCC#N ZINC000271143987 910794782 /nfs/dbraw/zinc/79/47/82/910794782.db2.gz GJNFRGPCGPORLZ-UHFFFAOYSA-N 1 0 388.508 3.931 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccccc1OC(=O)c1ccccc1 ZINC001181498910 910803240 /nfs/dbraw/zinc/80/32/40/910803240.db2.gz JWDKDZDNADYQCM-NRFANRHFSA-N 1 0 392.499 3.605 20 30 GHEDRO COC(=O)c1oc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C ZINC000271639669 910996966 /nfs/dbraw/zinc/99/69/66/910996966.db2.gz QYLSDQNAFCELLT-OAHLLOKOSA-N 1 0 395.459 3.658 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000091792453 911283716 /nfs/dbraw/zinc/28/37/16/911283716.db2.gz ZQCHVMVYKVUOBU-UHFFFAOYSA-N 1 0 386.293 3.739 20 30 GHEDRO C[C@H](C#N)OCC[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000801939186 921653336 /nfs/dbraw/zinc/65/33/36/921653336.db2.gz NLBZOHMEWJCPRJ-OXQOHEQNSA-N 1 0 383.492 3.924 20 30 GHEDRO C=CCn1c(S[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccncc1 ZINC000283123841 911379328 /nfs/dbraw/zinc/37/93/28/911379328.db2.gz SRNFZIMQDKRYOS-IBGZPJMESA-N 1 0 377.517 3.893 20 30 GHEDRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)CCc2cccc(C#N)c2)CC1 ZINC001182344875 911518269 /nfs/dbraw/zinc/51/82/69/911518269.db2.gz VOARXHMWIDZFHH-UHFFFAOYSA-N 1 0 395.478 3.989 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000092481256 911565024 /nfs/dbraw/zinc/56/50/24/911565024.db2.gz QHWUYIGHRRFGFY-UHFFFAOYSA-N 1 0 383.536 3.685 20 30 GHEDRO C[C@@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)c1noc(-c2ccccc2)n1 ZINC000283920504 911691357 /nfs/dbraw/zinc/69/13/57/911691357.db2.gz DTYAQBCMBQZERX-QFNCUCFLSA-N 1 0 378.432 3.685 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000092709180 911726407 /nfs/dbraw/zinc/72/64/07/911726407.db2.gz ZEBGNGPRESKMBW-UHFFFAOYSA-N 1 0 388.471 3.913 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000092784060 911804875 /nfs/dbraw/zinc/80/48/75/911804875.db2.gz WZYQKEMRENBNDJ-NRFANRHFSA-N 1 0 376.500 3.731 20 30 GHEDRO C#CC(C)(C)C(=O)N(c1ccccc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC001182638072 911912833 /nfs/dbraw/zinc/91/28/33/911912833.db2.gz HTLCPNJHZXASPQ-UHFFFAOYSA-N 1 0 375.516 3.926 20 30 GHEDRO COC(=O)CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000093280680 912161524 /nfs/dbraw/zinc/16/15/24/912161524.db2.gz JLBJOBMUKAOAFZ-HNNXBMFYSA-N 1 0 388.414 3.821 20 30 GHEDRO C#C[C@H]([NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)C1CCOCC1 ZINC001182988640 912174431 /nfs/dbraw/zinc/17/44/31/912174431.db2.gz BUESFTWJKWVKQX-IBGZPJMESA-N 1 0 381.426 3.798 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000291235148 915052841 /nfs/dbraw/zinc/05/28/41/915052841.db2.gz KSNYJGDWCYMNPY-DEOSSOPVSA-N 1 0 386.499 3.600 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1Cl ZINC000303780213 915125824 /nfs/dbraw/zinc/12/58/24/915125824.db2.gz LECRSBHOPREGLN-NSHDSACASA-N 1 0 389.327 3.874 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC000303903542 915305412 /nfs/dbraw/zinc/30/54/12/915305412.db2.gz YLPDUFMJYRFNQJ-SFHVURJKSA-N 1 0 396.535 3.621 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(CN3CCCC3=O)c2)cc1 ZINC000303902013 915305515 /nfs/dbraw/zinc/30/55/15/915305515.db2.gz SWJZOELPRSDFGF-UHFFFAOYSA-N 1 0 380.492 3.523 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498924 915308637 /nfs/dbraw/zinc/30/86/37/915308637.db2.gz UENOXNRHXHTEPA-DOTOQJQBSA-N 1 0 397.357 3.972 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000303984534 915348897 /nfs/dbraw/zinc/34/88/97/915348897.db2.gz SDXBOHRBGMCEKD-KRWDZBQOSA-N 1 0 397.397 3.833 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000292013886 915474115 /nfs/dbraw/zinc/47/41/15/915474115.db2.gz XWRIQHLIDNTOAO-JOCHJYFZSA-N 1 0 386.536 3.931 20 30 GHEDRO [NH2+]=C(NCCOc1ccc(C(F)(F)F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000304522235 915534691 /nfs/dbraw/zinc/53/46/91/915534691.db2.gz XWKFBEQHKDRZKG-MRXNPFEDSA-N 1 0 379.382 3.512 20 30 GHEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)N(C)C)cc1OC ZINC000304653584 915587436 /nfs/dbraw/zinc/58/74/36/915587436.db2.gz HNYONTHIQJGSIS-HXUWFJFHSA-N 1 0 396.535 3.612 20 30 GHEDRO CCOCCCNC(=[NH2+])NCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC000304683691 915630975 /nfs/dbraw/zinc/63/09/75/915630975.db2.gz ZWBTZQGIGAESTK-UHFFFAOYSA-N 1 0 375.435 3.714 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC2CCC2)cc1 ZINC000292392559 915653358 /nfs/dbraw/zinc/65/33/58/915653358.db2.gz VXUFTDNAYRWMFM-UHFFFAOYSA-O 1 0 391.463 3.965 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCCCO[C@H]2CCCc3ccccc32)cc1OC ZINC000304760123 915699187 /nfs/dbraw/zinc/69/91/87/915699187.db2.gz RXTKRORBKRVZAR-FQEVSTJZSA-N 1 0 397.519 3.592 20 30 GHEDRO CC(C)C[C@@H](C)Oc1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)ccn1 ZINC000304764159 915700448 /nfs/dbraw/zinc/70/04/48/915700448.db2.gz XSRUHYZOOCVXAY-VQIMIIECSA-N 1 0 382.508 3.823 20 30 GHEDRO [NH2+]=C(NCc1csc(CCc2ccccc2)n1)N[C@@H]1CCOc2ccccc21 ZINC000304810521 915722547 /nfs/dbraw/zinc/72/25/47/915722547.db2.gz LBMDYHVQUOTYMZ-LJQANCHMSA-N 1 0 392.528 3.856 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCc2cc3c(cc(OC)cc3OC)[nH]2)cc1 ZINC000304847145 915744237 /nfs/dbraw/zinc/74/42/37/915744237.db2.gz UXIRJAYNAPLKHQ-UHFFFAOYSA-N 1 0 382.464 3.553 20 30 GHEDRO C[NH+]1CCC(c2ccc(C(=O)N=C(N)c3ccc4cc(O)ccc4c3)cc2)CC1 ZINC001188320855 915886210 /nfs/dbraw/zinc/88/62/10/915886210.db2.gz QHOMSOXIXLIQJI-UHFFFAOYSA-N 1 0 387.483 3.900 20 30 GHEDRO COc1cc2c(cc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)O[C@H](C)C2 ZINC000305173147 915979144 /nfs/dbraw/zinc/97/91/44/915979144.db2.gz FPDYGSCNVKIBIY-LLVKDONJSA-N 1 0 395.381 3.844 20 30 GHEDRO COCCCOc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)c1 ZINC000305216220 916010742 /nfs/dbraw/zinc/01/07/42/916010742.db2.gz SCNPUUPPHDMAFN-UHFFFAOYSA-N 1 0 377.872 3.691 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001189281711 916508242 /nfs/dbraw/zinc/50/82/42/916508242.db2.gz LERBDGGRWXPMJS-MEMLXQNLSA-N 1 0 385.552 3.897 20 30 GHEDRO [NH2+]=C(NCCc1cc(F)c(F)c(F)c1)NCc1ccc(OC(F)(F)F)cc1 ZINC000305888346 916546292 /nfs/dbraw/zinc/54/62/92/916546292.db2.gz ZOAZGAINNQSDMQ-UHFFFAOYSA-N 1 0 391.315 3.650 20 30 GHEDRO CC1(C)CCC[C@H](Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)O1 ZINC001189779497 916913295 /nfs/dbraw/zinc/91/32/95/916913295.db2.gz FRXGOTXZLUURCO-OAQYLSRUSA-N 1 0 391.515 3.626 20 30 GHEDRO Cc1c[nH+]ccc1N1CCN(C(=O)c2cc(F)c(Cl)c(C#N)c2Cl)CC1 ZINC001189845551 916975156 /nfs/dbraw/zinc/97/51/56/916975156.db2.gz NLCXVXKMRKBGFA-UHFFFAOYSA-N 1 0 393.249 3.670 20 30 GHEDRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000362014022 917034328 /nfs/dbraw/zinc/03/43/28/917034328.db2.gz RPWIRINEWVIIRJ-INIZCTEOSA-N 1 0 396.487 3.604 20 30 GHEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775356821 917143279 /nfs/dbraw/zinc/14/32/79/917143279.db2.gz SXCYOLHHBNBKMH-QGZVFWFLSA-N 1 0 397.494 3.778 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3ccc(Br)c(F)c3)CC2)C1=O ZINC001275781995 917224129 /nfs/dbraw/zinc/22/41/29/917224129.db2.gz RILQBABCUGMULF-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO Cn1c(CC#N)nnc1SC[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000295471286 917322034 /nfs/dbraw/zinc/32/20/34/917322034.db2.gz YAJZMDKIVAPZQW-FQEVSTJZSA-N 1 0 391.544 3.889 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccccc1 ZINC000775399996 917442600 /nfs/dbraw/zinc/44/26/00/917442600.db2.gz LGCBQDFMFCNEIQ-BEFAXECRSA-N 1 0 385.305 3.981 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000775401698 917460505 /nfs/dbraw/zinc/46/05/05/917460505.db2.gz YLWZNDQNDAGKGW-FCHUYYIVSA-N 1 0 392.499 3.722 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)c(OC(C)C)c2)CC1 ZINC000651273416 917561220 /nfs/dbraw/zinc/56/12/20/917561220.db2.gz MJYIUQPXYZCFLB-UHFFFAOYSA-N 1 0 381.314 3.617 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000775419774 917610864 /nfs/dbraw/zinc/61/08/64/917610864.db2.gz BDSJSHYYTDAYKO-GEQKSPFYSA-N 1 0 398.466 3.591 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000651545208 917652922 /nfs/dbraw/zinc/65/29/22/917652922.db2.gz CAUZRKGRGOEHHM-HXUWFJFHSA-N 1 0 387.572 3.798 20 30 GHEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(I)cc2)CC1 ZINC001191013812 917706845 /nfs/dbraw/zinc/70/68/45/917706845.db2.gz ONIBOSGEXUGQQH-LBPRGKRZSA-N 1 0 384.261 3.516 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000796596212 918592196 /nfs/dbraw/zinc/59/21/96/918592196.db2.gz CYCPRMCOUIPIQG-WOJBJXKFSA-N 1 0 390.405 3.602 20 30 GHEDRO COc1ccc(Cl)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)c1 ZINC001275909768 919499959 /nfs/dbraw/zinc/49/99/59/919499959.db2.gz VGRNLRIMBFJQAQ-HXUWFJFHSA-N 1 0 375.900 3.609 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816078 919518997 /nfs/dbraw/zinc/51/89/97/919518997.db2.gz PGNXZWFZXVIYJB-AWEZNQCLSA-N 1 0 387.867 3.558 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1C#N ZINC000364769814 919972144 /nfs/dbraw/zinc/97/21/44/919972144.db2.gz MPVLNLZJANVJHN-UHFFFAOYSA-N 1 0 376.426 3.670 20 30 GHEDRO N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)s2)cc1 ZINC000900317488 920175571 /nfs/dbraw/zinc/17/55/71/920175571.db2.gz NBISLJIIRMPKQD-JKSUJKDBSA-N 1 0 399.545 3.657 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000801425216 921019445 /nfs/dbraw/zinc/01/94/45/921019445.db2.gz BYHLMEDRLFPRLG-UHFFFAOYSA-N 1 0 390.443 3.807 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)OCc2cccc(C(=O)OC)c2C#N)cc1 ZINC000801426168 921020568 /nfs/dbraw/zinc/02/05/68/921020568.db2.gz UDMJSCQHWWOGRW-UHFFFAOYSA-N 1 0 380.444 3.544 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000801482946 921064934 /nfs/dbraw/zinc/06/49/34/921064934.db2.gz ARSWESSVZLZKQC-OAQYLSRUSA-N 1 0 379.504 3.697 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902786887 922497789 /nfs/dbraw/zinc/49/77/89/922497789.db2.gz ULXMBDZGJTXVJN-IRXDYDNUSA-N 1 0 377.492 3.621 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903192532 922843316 /nfs/dbraw/zinc/84/33/16/922843316.db2.gz NPYPHCWHSFLBKO-ZDUSSCGKSA-N 1 0 382.407 3.897 20 30 GHEDRO [NH3+][C@@H]1CN(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C[C@H]1C(F)(F)F ZINC000903513231 923087513 /nfs/dbraw/zinc/08/75/13/923087513.db2.gz ZADBUQBYOXNRNN-DGCLKSJQSA-N 1 0 397.294 3.821 20 30 GHEDRO N#CC[C@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000369213319 923208706 /nfs/dbraw/zinc/20/87/06/923208706.db2.gz FVOIFCOFQGSUIV-JTHBVZDNSA-N 1 0 375.516 3.755 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC ZINC000749133268 924039477 /nfs/dbraw/zinc/03/94/77/924039477.db2.gz YKEJMWPCCPOTPX-UHFFFAOYSA-N 1 0 390.524 3.921 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H]3Cc4ccccc4N(C(=O)C(F)(F)F)C3)cc2)CC1 ZINC000827017949 924564853 /nfs/dbraw/zinc/56/48/53/924564853.db2.gz PFUDUCKHJMKWPV-GOSISDBHSA-N 1 0 399.416 3.852 20 30 GHEDRO C=CCN1CC[C@H]([NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000410411858 925627100 /nfs/dbraw/zinc/62/71/00/925627100.db2.gz VMIARCPOWJRXNP-SFHVURJKSA-N 1 0 383.319 3.761 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000680968787 925671385 /nfs/dbraw/zinc/67/13/85/925671385.db2.gz NSKZPAHZJLZWLY-FQEVSTJZSA-N 1 0 394.515 3.902 20 30 GHEDRO Fc1ccc(C#CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000372848071 925742417 /nfs/dbraw/zinc/74/24/17/925742417.db2.gz GQHWWWOSNFRMHF-AUSIDOKSSA-N 1 0 388.446 3.676 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000411002652 925982137 /nfs/dbraw/zinc/98/21/37/925982137.db2.gz QIHNCKFTSMDEKP-UHFFFAOYSA-N 1 0 388.515 3.682 20 30 GHEDRO N#Cc1ncc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1Cl ZINC000411036380 926004705 /nfs/dbraw/zinc/00/47/05/926004705.db2.gz XCWMRTLBSYWCJO-OAHLLOKOSA-N 1 0 390.821 3.703 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](C[C@H]3CN(C4CCCCC4)C(=O)O3)CC2)c1 ZINC000827877800 926150811 /nfs/dbraw/zinc/15/08/11/926150811.db2.gz YWUUNVPJKZMOJJ-NRFANRHFSA-N 1 0 383.492 3.555 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(OC(F)(F)F)c3)C2)C1=O ZINC001276381906 926368585 /nfs/dbraw/zinc/36/85/85/926368585.db2.gz IWVIPYSBZOCASX-QGZVFWFLSA-N 1 0 388.817 3.849 20 30 GHEDRO Cc1csc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)n1 ZINC000411485134 926439022 /nfs/dbraw/zinc/43/90/22/926439022.db2.gz ZRVAOAGKXFFRIX-QGZVFWFLSA-N 1 0 386.546 3.943 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2ccccn21 ZINC000411496514 926457709 /nfs/dbraw/zinc/45/77/09/926457709.db2.gz XXMLEJANDLNEFN-LJQANCHMSA-N 1 0 396.882 3.570 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccco1 ZINC000411511814 926470461 /nfs/dbraw/zinc/47/04/61/926470461.db2.gz KADKNGCMJVXHSN-CZUORRHYSA-N 1 0 387.505 3.643 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(Cl)cc(O)cc3Cl)C2)C1=O ZINC001276167245 926490783 /nfs/dbraw/zinc/49/07/83/926490783.db2.gz STGKDSFXJCBAJA-LJQANCHMSA-N 1 0 397.302 3.616 20 30 GHEDRO COC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411804442 926795947 /nfs/dbraw/zinc/79/59/47/926795947.db2.gz GSLHWNSCJGNDLA-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000374215357 926904367 /nfs/dbraw/zinc/90/43/67/926904367.db2.gz DOQZDRVQPPIZSX-FPOVZHCZSA-N 1 0 375.520 3.942 20 30 GHEDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000411967234 926945918 /nfs/dbraw/zinc/94/59/18/926945918.db2.gz HUWZKUJBBKCTMG-RNODOKPDSA-N 1 0 375.538 3.620 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CC1 ZINC000411969288 926958457 /nfs/dbraw/zinc/95/84/57/926958457.db2.gz LGMKXUSXGXBWCF-YPENRWOSSA-N 1 0 389.565 3.866 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)c2)c1 ZINC000374282969 926976046 /nfs/dbraw/zinc/97/60/46/926976046.db2.gz KEBMDEPDYSHOBH-JTHBVZDNSA-N 1 0 378.472 3.565 20 30 GHEDRO Cc1[nH]c2ccccc2c1CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N ZINC000726989204 926977672 /nfs/dbraw/zinc/97/76/72/926977672.db2.gz SFDFXPSVNVMJOU-UHFFFAOYSA-N 1 0 399.498 3.679 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000412334484 927345346 /nfs/dbraw/zinc/34/53/46/927345346.db2.gz IIVCGZCKFXZNHK-ARNLJNQMSA-N 1 0 385.511 3.786 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000374624479 927350657 /nfs/dbraw/zinc/35/06/57/927350657.db2.gz QEBXWZZHCGSMIR-QGZVFWFLSA-N 1 0 386.565 3.580 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000749926950 927352732 /nfs/dbraw/zinc/35/27/32/927352732.db2.gz RETHIIBZLLERBT-FQEVSTJZSA-N 1 0 382.895 3.585 20 30 GHEDRO Cc1sc(NC(=O)CN2CCCN(c3ccc(C)cc3)CC2)c(C#N)c1C ZINC000750040468 927401366 /nfs/dbraw/zinc/40/13/66/927401366.db2.gz XLQHAFZMDXIOKV-UHFFFAOYSA-N 1 0 382.533 3.696 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000750597792 927741566 /nfs/dbraw/zinc/74/15/66/927741566.db2.gz VMQFGGKNVFVXNP-NRFANRHFSA-N 1 0 392.503 3.612 20 30 GHEDRO C=CCn1c(SCC[N@@H+]2CCCOCC2)nnc1-c1ccc(Cl)cc1 ZINC000412985590 928072485 /nfs/dbraw/zinc/07/24/85/928072485.db2.gz UIAREDJPDLXSLD-UHFFFAOYSA-N 1 0 378.929 3.599 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000375266924 928105464 /nfs/dbraw/zinc/10/54/64/928105464.db2.gz GZCDQLNRWNFHFT-NPFVIJTESA-N 1 0 376.504 3.712 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000751559467 928251062 /nfs/dbraw/zinc/25/10/62/928251062.db2.gz XGDGNMONWLQPTD-ZDXQCDESSA-N 1 0 394.515 3.666 20 30 GHEDRO CCS(=O)(=O)c1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000467409068 929041904 /nfs/dbraw/zinc/04/19/04/929041904.db2.gz SYNWMYGQUWAJKY-UHFFFAOYSA-N 1 0 382.529 3.974 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000544435081 929177704 /nfs/dbraw/zinc/17/77/04/929177704.db2.gz KGIWCVJIFUYHNU-AEFFLSMTSA-N 1 0 396.535 3.733 20 30 GHEDRO CCc1nnc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(C#N)c1CC ZINC000467773846 929397231 /nfs/dbraw/zinc/39/72/31/929397231.db2.gz YYMCQAKZQNJDLU-QGZVFWFLSA-N 1 0 393.535 3.785 20 30 GHEDRO COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)ccc1OCc1ccc(F)cc1 ZINC000753934835 929600927 /nfs/dbraw/zinc/60/09/27/929600927.db2.gz KMGKNARYDZBSCE-KDURUIRLSA-N 1 0 396.466 3.607 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(-c3ccc(F)cc3)ns2)CC1 ZINC000758101238 929919428 /nfs/dbraw/zinc/91/94/28/929919428.db2.gz XLEXHZCBDKNHES-UHFFFAOYSA-N 1 0 375.473 3.506 20 30 GHEDRO FC(F)(F)c1cc(Br)cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000758120426 929931143 /nfs/dbraw/zinc/93/11/43/929931143.db2.gz QYQBYQXBSXVXBX-CHWSQXEVSA-N 1 0 389.219 3.662 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(C)c(F)cc1F)[n+]1ccc2c(c1)CCCC2 ZINC000759060612 930260594 /nfs/dbraw/zinc/26/05/94/930260594.db2.gz ZKGSXTMBZCROIS-UHFFFAOYSA-O 1 0 399.486 3.874 20 30 GHEDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000759170209 930298508 /nfs/dbraw/zinc/29/85/08/930298508.db2.gz VFZZUIOVTQWEKG-UHFFFAOYSA-N 1 0 388.512 3.536 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000470163418 930420669 /nfs/dbraw/zinc/42/06/69/930420669.db2.gz QMRIJSRXQDKBCD-JOCHJYFZSA-N 1 0 375.516 3.863 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000780775343 930595829 /nfs/dbraw/zinc/59/58/29/930595829.db2.gz GDKFZNWPRWGDEG-UHFFFAOYSA-N 1 0 398.856 3.994 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000780978011 930659586 /nfs/dbraw/zinc/65/95/86/930659586.db2.gz CFVCTFSKWNQQNP-NRFANRHFSA-N 1 0 389.540 3.701 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCc2ccccc21 ZINC000782479824 931236691 /nfs/dbraw/zinc/23/66/91/931236691.db2.gz AWECYSSYTOZKIK-HXUWFJFHSA-N 1 0 381.407 3.685 20 30 GHEDRO CCOCc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)ccc1OC ZINC000782544043 931263600 /nfs/dbraw/zinc/26/36/00/931263600.db2.gz DICIYUYDCGLTNI-UHFFFAOYSA-N 1 0 395.503 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000783299190 931514356 /nfs/dbraw/zinc/51/43/56/931514356.db2.gz AEPDTMXMHQVLNW-RTWAWAEBSA-N 1 0 392.503 3.836 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000924989980 931604390 /nfs/dbraw/zinc/60/43/90/931604390.db2.gz WOYKHFCQJWJXTJ-NBYUQASBSA-N 1 0 377.573 3.793 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(=O)OCC)cc1)[n+]1ccccc1 ZINC000783956955 931731010 /nfs/dbraw/zinc/73/10/10/931731010.db2.gz BMPWYEBZFPLJMM-UHFFFAOYSA-O 1 0 383.493 3.528 20 30 GHEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCC[C@](C)(C#N)C2)c1=S ZINC000784011307 931755284 /nfs/dbraw/zinc/75/52/84/931755284.db2.gz DDBZBTNZLWQJPD-VQIMIIECSA-N 1 0 378.590 3.810 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000557930778 931759573 /nfs/dbraw/zinc/75/95/73/931759573.db2.gz KHMNHLPILKVRHI-OXQOHEQNSA-N 1 0 386.455 3.606 20 30 GHEDRO COCCC1(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925566687 931825507 /nfs/dbraw/zinc/82/55/07/931825507.db2.gz FJOPLPUYRQHSMQ-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000558148029 931858553 /nfs/dbraw/zinc/85/85/53/931858553.db2.gz MXSPXPUHBBHOIS-HTAPYJJXSA-N 1 0 391.490 3.756 20 30 GHEDRO C#CC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000784354366 931866666 /nfs/dbraw/zinc/86/66/66/931866666.db2.gz VVDQLNWGOKVTQW-MJGOQNOKSA-N 1 0 392.268 3.682 20 30 GHEDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925702549 931881271 /nfs/dbraw/zinc/88/12/71/931881271.db2.gz BPGPFFKIAPHDMG-MSOLQXFVSA-N 1 0 393.572 3.693 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1 ZINC000558257467 931907075 /nfs/dbraw/zinc/90/70/75/931907075.db2.gz NKGIKKLDONACQX-MSOLQXFVSA-N 1 0 389.546 3.514 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784506028 931916356 /nfs/dbraw/zinc/91/63/56/931916356.db2.gz GCUQBTSKUMUENU-UHOSZYNNSA-N 1 0 385.508 3.692 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)CC2 ZINC000558497286 932034949 /nfs/dbraw/zinc/03/49/49/932034949.db2.gz NTMPRVUCMKBOQD-VXKWHMMOSA-N 1 0 381.907 3.862 20 30 GHEDRO COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)c1 ZINC000558503296 932039312 /nfs/dbraw/zinc/03/93/12/932039312.db2.gz HQZRNFLGUIZTGY-HNNXBMFYSA-N 1 0 382.439 3.617 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000558606598 932104931 /nfs/dbraw/zinc/10/49/31/932104931.db2.gz GBWPXZOFNBPKCX-GOSISDBHSA-N 1 0 386.521 3.511 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCOC1 ZINC000558657790 932144801 /nfs/dbraw/zinc/14/48/01/932144801.db2.gz FLWGQTBHKMUMSA-HNNXBMFYSA-N 1 0 375.538 3.717 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000797113324 932187569 /nfs/dbraw/zinc/18/75/69/932187569.db2.gz LSRAPWJXNIDBBS-YOEHRIQHSA-N 1 0 392.849 3.732 20 30 GHEDRO C=C1CCC(CNC(=O)N(C)C[C@H]2CCC[N@@H+](CC)[C@@H]2c2cnn(C)c2)CC1 ZINC000926547550 932224786 /nfs/dbraw/zinc/22/47/86/932224786.db2.gz IYBYURFSNKTJJO-CTNGQTDRSA-N 1 0 387.572 3.581 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1)CC1CC1 ZINC000558954801 932336326 /nfs/dbraw/zinc/33/63/26/932336326.db2.gz OLDCQJARRHJRGT-UHFFFAOYSA-N 1 0 385.527 3.721 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000558993864 932360638 /nfs/dbraw/zinc/36/06/38/932360638.db2.gz ZJKZAXMVKNMUCT-AZUAARDMSA-N 1 0 387.572 3.654 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000559439243 932676521 /nfs/dbraw/zinc/67/65/21/932676521.db2.gz SVEKMHBNUYLHQM-OAHLLOKOSA-N 1 0 397.441 3.773 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000799121166 932882032 /nfs/dbraw/zinc/88/20/32/932882032.db2.gz QFLLEBPPAOGLTQ-ZWKOTPCHSA-N 1 0 379.545 3.855 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000559964842 932984111 /nfs/dbraw/zinc/98/41/11/932984111.db2.gz OLACWZOUYKADRA-GOSISDBHSA-N 1 0 383.496 3.548 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCc3ccc(F)cc3C(F)(F)F)CC2)c1 ZINC000560167771 933104765 /nfs/dbraw/zinc/10/47/65/933104765.db2.gz MULUXSJSLRGFFE-UHFFFAOYSA-N 1 0 391.368 3.611 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCc3nc4sc5c(c4c(N)n3)CCCC5)CC2)c1 ZINC000560174123 933111051 /nfs/dbraw/zinc/11/10/51/933111051.db2.gz KIHBFZBRTBXWTA-UHFFFAOYSA-N 1 0 389.528 3.845 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2)CC1 ZINC001116479834 933583602 /nfs/dbraw/zinc/58/36/02/933583602.db2.gz MGZVDVIKHDJBAW-UHFFFAOYSA-N 1 0 388.515 3.759 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)CC1 ZINC001116581985 933645617 /nfs/dbraw/zinc/64/56/17/933645617.db2.gz WNOFXLIWEAKRKC-UHFFFAOYSA-N 1 0 392.425 3.661 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000930199983 933888195 /nfs/dbraw/zinc/88/81/95/933888195.db2.gz ZBIMUKPUTQHBJH-CQSZACIVSA-N 1 0 383.879 3.720 20 30 GHEDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000930201374 933888321 /nfs/dbraw/zinc/88/83/21/933888321.db2.gz RGVCZJHNEJWFDZ-IBGZPJMESA-N 1 0 385.895 3.920 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001117689687 933984338 /nfs/dbraw/zinc/98/43/38/933984338.db2.gz VFMGCYUISXDJIC-XLIONFOSSA-N 1 0 383.540 3.696 20 30 GHEDRO C[N@@H+]1CC[C@H](CNc2nccc(C#N)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561258859 933996229 /nfs/dbraw/zinc/99/62/29/933996229.db2.gz ZQGFFCSINLEYQF-CXAGYDPISA-N 1 0 379.266 3.926 20 30 GHEDRO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cnc1Br ZINC000931022339 934339565 /nfs/dbraw/zinc/33/95/65/934339565.db2.gz LMYWPXJFXWHXHU-UHFFFAOYSA-N 1 0 386.293 3.820 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001120562301 934474187 /nfs/dbraw/zinc/47/41/87/934474187.db2.gz YIRGGSSLVNBTQP-LPHOPBHVSA-N 1 0 379.495 3.771 20 30 GHEDRO C=C(C)c1cccc(NC(=O)C(=O)N2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC001120971809 934543923 /nfs/dbraw/zinc/54/39/23/934543923.db2.gz WSUYPNBNYBEXIY-UHFFFAOYSA-N 1 0 392.503 3.597 20 30 GHEDRO CCN(c1nnc(CCCCC#N)n1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121398691 934645884 /nfs/dbraw/zinc/64/58/84/934645884.db2.gz OMTHAXPPDMBBAO-UYAOXDASSA-N 1 0 380.540 3.713 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001121608270 934713653 /nfs/dbraw/zinc/71/36/53/934713653.db2.gz DQWUWRZQEQIUID-IBGZPJMESA-N 1 0 392.551 3.657 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000562143469 934723903 /nfs/dbraw/zinc/72/39/03/934723903.db2.gz YQHSXHARDQLTML-HXUWFJFHSA-N 1 0 396.491 3.778 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CCC(F)(F)CC1 ZINC001121689730 934739858 /nfs/dbraw/zinc/73/98/58/934739858.db2.gz GDZPUXGLGHYCQL-MSOLQXFVSA-N 1 0 387.478 3.512 20 30 GHEDRO CCn1c(N(C)[C@H](C)CC#N)nnc1[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121890814 934785577 /nfs/dbraw/zinc/78/55/77/934785577.db2.gz RULIELZROMCANA-CBGDNZLLSA-N 1 0 384.503 3.668 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)C2CC3(C2)C[C@H]([NH3+])CCO3)s1 ZINC001121899807 934786448 /nfs/dbraw/zinc/78/64/48/934786448.db2.gz IWXNUMVGNLFDFX-XAUUPUKJSA-N 1 0 380.558 3.666 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1ccccc1 ZINC001122041644 934806378 /nfs/dbraw/zinc/80/63/78/934806378.db2.gz SRJNODLGTCHWLH-FQEVSTJZSA-N 1 0 392.551 3.582 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)ccc1F ZINC000932174445 934841030 /nfs/dbraw/zinc/84/10/30/934841030.db2.gz CITRZCHMNSQMTL-UHFFFAOYSA-N 1 0 395.413 3.736 20 30 GHEDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001122364756 934857727 /nfs/dbraw/zinc/85/77/27/934857727.db2.gz JOPSROZGOMBDQC-NRFANRHFSA-N 1 0 377.488 3.753 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001122441860 934871164 /nfs/dbraw/zinc/87/11/64/934871164.db2.gz HXBNGKRZXNZNHO-APWZRJJASA-N 1 0 399.587 3.514 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2CC(=C)C)CC1 ZINC001122465937 934876633 /nfs/dbraw/zinc/87/66/33/934876633.db2.gz HTCVRDPWNRDJOG-FQEVSTJZSA-N 1 0 385.556 3.573 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(C)=C(C)C1 ZINC001122466372 934876713 /nfs/dbraw/zinc/87/67/13/934876713.db2.gz NMJOQSHJUHXCST-FQEVSTJZSA-N 1 0 385.556 3.717 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C)cc1 ZINC001122499945 934883820 /nfs/dbraw/zinc/88/38/20/934883820.db2.gz QCYGATCNMXNIOY-KNQAVFIVSA-N 1 0 390.483 3.835 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC=NO2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001122594803 934912262 /nfs/dbraw/zinc/91/22/62/934912262.db2.gz HDQIZZZYTPGURE-GOSISDBHSA-N 1 0 386.544 3.536 20 30 GHEDRO C=CCOCc1nnc(N2CCC(CC)([NH+]3CCCCC3)CC2)n1CC1CC1 ZINC001123676213 935250204 /nfs/dbraw/zinc/25/02/04/935250204.db2.gz ZSZADFCEJNGQBM-UHFFFAOYSA-N 1 0 387.572 3.626 20 30 GHEDRO CC(C)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1ccc(C#N)cc1 ZINC001124832771 935476084 /nfs/dbraw/zinc/47/60/84/935476084.db2.gz VFCZIXHPPUXANV-UHFFFAOYSA-N 1 0 389.415 3.955 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)cc1C#N)CC2 ZINC001137697999 935729823 /nfs/dbraw/zinc/72/98/23/935729823.db2.gz FKYDHAIMYFWCMI-UHFFFAOYSA-N 1 0 383.492 3.567 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000830174968 935909254 /nfs/dbraw/zinc/90/92/54/935909254.db2.gz RQWYPGXJMNRWEG-GOSISDBHSA-N 1 0 381.451 3.621 20 30 GHEDRO CC(C)C[C@@H](C#N)NC(=O)C[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC001220700449 1032072151 /nfs/dbraw/zinc/07/21/51/1032072151.db2.gz HERYTHURUUUGTN-SFTDATJTSA-N 1 0 379.504 3.580 20 30 GHEDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000468370527 1015637101 /nfs/dbraw/zinc/63/71/01/1015637101.db2.gz AKNJBRXNHBFXJY-LPHOPBHVSA-N 1 0 397.494 3.904 20 30 GHEDRO CCn1nc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000545315558 1015768484 /nfs/dbraw/zinc/76/84/84/1015768484.db2.gz SGHVFHFSAZVIOH-UHFFFAOYSA-N 1 0 375.476 3.803 20 30 GHEDRO COc1c(Cl)c(Cl)ccc1C[N@@H+]1CC[C@@]2(CCN(CCCC#N)C2=O)C1 ZINC001276816481 1032144733 /nfs/dbraw/zinc/14/47/33/1032144733.db2.gz DSNQAUSLFLLINH-LJQANCHMSA-N 1 0 396.318 3.730 20 30 GHEDRO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000469039179 1016361582 /nfs/dbraw/zinc/36/15/82/1016361582.db2.gz QSIPDFDSROEALM-UHFFFAOYSA-N 1 0 391.519 3.774 20 30 GHEDRO CC[C@H](C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000469093575 1016463916 /nfs/dbraw/zinc/46/39/16/1016463916.db2.gz TYMROPFRZLJCFZ-QHAWAJNXSA-N 1 0 381.907 3.974 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000471035836 1016945422 /nfs/dbraw/zinc/94/54/22/1016945422.db2.gz RRSWXYUKADVNHC-QFIPXVFZSA-N 1 0 377.488 3.649 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001227176142 1032309458 /nfs/dbraw/zinc/30/94/58/1032309458.db2.gz HGYSKZUMOXPFEV-AWEZNQCLSA-N 1 0 381.259 3.766 20 30 GHEDRO N#Cc1ccc(CN(C(=O)[C@@H]2CCNc3ccccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221186450 1032321217 /nfs/dbraw/zinc/32/12/17/1032321217.db2.gz ZSMVZBBPRJKDAC-KCZVDYSFSA-N 1 0 388.515 3.756 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)CC1 ZINC001221806741 1032540679 /nfs/dbraw/zinc/54/06/79/1032540679.db2.gz NTNQNCYIRQKRJE-KRWDZBQOSA-N 1 0 390.959 3.824 20 30 GHEDRO COc1cccc(N(c2nc(-c3ccncc3)ccc2C#N)C2CC[NH2+]CC2)c1 ZINC001155613871 1032599680 /nfs/dbraw/zinc/59/96/80/1032599680.db2.gz JZRQVVANRWKIJZ-UHFFFAOYSA-N 1 0 385.471 3.914 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155637093 1032615868 /nfs/dbraw/zinc/61/58/68/1032615868.db2.gz SEECZOIDQWXHAR-ZMZPIMSZSA-N 1 0 377.275 3.736 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccc(F)c4F)C3)C2)c1 ZINC001204198726 1032650958 /nfs/dbraw/zinc/65/09/58/1032650958.db2.gz ILNXAAUOVYKRRF-QHCPKHFHSA-N 1 0 397.469 3.955 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001227880369 1032664345 /nfs/dbraw/zinc/66/43/45/1032664345.db2.gz IERXVWZYQPIYRW-UGKGYDQZSA-N 1 0 393.531 3.819 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000925318632 1017070372 /nfs/dbraw/zinc/07/03/72/1017070372.db2.gz GJHKVCJLYNLJKM-UZLBHIALSA-N 1 0 378.476 3.546 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926568201 1017284137 /nfs/dbraw/zinc/28/41/37/1017284137.db2.gz QVFKIIKMLBHEGJ-QGZVFWFLSA-N 1 0 397.523 3.743 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)ccc(Cl)c3Cl)CC2)C1=O ZINC001276455102 1032721339 /nfs/dbraw/zinc/72/13/39/1032721339.db2.gz FLTLIVBKEMEAPJ-IBGZPJMESA-N 1 0 383.294 3.970 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000561987026 1018000651 /nfs/dbraw/zinc/00/06/51/1018000651.db2.gz YYIRDCJYUHLXAG-UHFFFAOYSA-N 1 0 382.414 3.875 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)cc1 ZINC001204299836 1032740731 /nfs/dbraw/zinc/74/07/31/1032740731.db2.gz HCPHIHDBAUXCDO-QFIPXVFZSA-N 1 0 376.500 3.890 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)cc1 ZINC001204300440 1032741397 /nfs/dbraw/zinc/74/13/97/1032741397.db2.gz QXSCIFKTIAUHSP-FYYLOGMGSA-N 1 0 380.488 3.849 20 30 GHEDRO N#CC1(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCSCC1 ZINC000932450464 1018316422 /nfs/dbraw/zinc/31/64/22/1018316422.db2.gz RYHPXUWGLLSHDN-UHFFFAOYSA-N 1 0 399.604 3.874 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932938687 1018767248 /nfs/dbraw/zinc/76/72/48/1018767248.db2.gz AYPOBBIBEUYXOO-UKKRHICBSA-N 1 0 379.291 3.516 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](CCc3cncs3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941357 1018769632 /nfs/dbraw/zinc/76/96/32/1018769632.db2.gz BIQHXGJWNHZEBS-DTORHVGOSA-N 1 0 380.304 3.788 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944659 1018774917 /nfs/dbraw/zinc/77/49/17/1018774917.db2.gz ZWDZVKBGDVSAMI-IJLUTSLNSA-N 1 0 394.350 3.964 20 30 GHEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NC)C2)cc1 ZINC001204369619 1032810998 /nfs/dbraw/zinc/81/09/98/1032810998.db2.gz YLUGNNHHKJIRFM-FYYLOGMGSA-N 1 0 388.552 3.763 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cn(C(C)=O)c3ccccc13)C2 ZINC001204404049 1032827404 /nfs/dbraw/zinc/82/74/04/1032827404.db2.gz CGQMUTVEODJTJP-HSZRJFAPSA-N 1 0 379.504 3.835 20 30 GHEDRO C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000569917661 1019536151 /nfs/dbraw/zinc/53/61/51/1019536151.db2.gz ZJOBMMQGVYTYBV-YADARESESA-N 1 0 388.515 3.540 20 30 GHEDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1ncnc2ccc(C#N)cc21 ZINC001156013077 1032841318 /nfs/dbraw/zinc/84/13/18/1032841318.db2.gz JMWPYXLMFGQVIY-UHFFFAOYSA-N 1 0 383.455 3.921 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000572708891 1019797905 /nfs/dbraw/zinc/79/79/05/1019797905.db2.gz QXELTOCKWHOENJ-UWJYYQICSA-N 1 0 377.488 3.625 20 30 GHEDRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC4=CC[C@@H](C#N)CC4)cc(c32)C1=O ZINC001212865325 1020298782 /nfs/dbraw/zinc/29/87/82/1020298782.db2.gz FWABYPQGEURRAT-OAHLLOKOSA-N 1 0 388.471 3.617 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1ncnc2c1CC[NH2+]CC2 ZINC001156221716 1032929745 /nfs/dbraw/zinc/92/97/45/1032929745.db2.gz VEBXZNIXXGYBDC-GOSISDBHSA-N 1 0 383.499 3.804 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000834505057 1021230126 /nfs/dbraw/zinc/23/01/26/1021230126.db2.gz HHVYMVMNITWKCI-KSSFIOAISA-N 1 0 383.517 3.840 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000834505404 1021230216 /nfs/dbraw/zinc/23/02/16/1021230216.db2.gz KNCGGLWLJMPPCP-LPHOPBHVSA-N 1 0 391.496 3.708 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1=O ZINC001140414020 1021617648 /nfs/dbraw/zinc/61/76/48/1021617648.db2.gz AGWNDHQBRDHPJB-OAQYLSRUSA-N 1 0 385.508 3.950 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c2cc(C#N)ccc21 ZINC001140440117 1021713023 /nfs/dbraw/zinc/71/30/23/1021713023.db2.gz YBSBVSDXYOGHCD-NZXJAIKPSA-N 1 0 393.487 3.905 20 30 GHEDRO COc1cc(CNCc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000748819440 1021722215 /nfs/dbraw/zinc/72/22/15/1021722215.db2.gz IRPOCOIRWCMNQM-UHFFFAOYSA-N 1 0 395.337 3.706 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835051199 1021816858 /nfs/dbraw/zinc/81/68/58/1021816858.db2.gz IAERZSZKNOLUGD-KDOFPFPSSA-N 1 0 393.553 3.507 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H](CC#N)C[N+](C)(C)C)cc2)nc1C ZINC001228625162 1033015166 /nfs/dbraw/zinc/01/51/66/1033015166.db2.gz OPBGVPSCYTXWRH-QGZVFWFLSA-N 1 0 388.513 3.663 20 30 GHEDRO CC(C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001140617178 1022081903 /nfs/dbraw/zinc/08/19/03/1022081903.db2.gz GGXAPLPFZDNLHP-OAQYLSRUSA-N 1 0 377.488 3.740 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC001228654813 1033031034 /nfs/dbraw/zinc/03/10/34/1033031034.db2.gz AEAXOIFIOBFDEV-UHFFFAOYSA-N 1 0 383.495 3.849 20 30 GHEDRO Cc1ccc(Br)cc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001140650429 1022161997 /nfs/dbraw/zinc/16/19/97/1022161997.db2.gz NIYFNFWMQCGSDC-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001140667196 1022218250 /nfs/dbraw/zinc/21/82/50/1022218250.db2.gz KKWGCQMJIUTIRW-UHFFFAOYSA-N 1 0 378.491 3.926 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C2)cc1 ZINC001140667424 1022218608 /nfs/dbraw/zinc/21/86/08/1022218608.db2.gz SFHUOFOJNOUGEM-JOCHJYFZSA-N 1 0 395.478 3.577 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1O ZINC000754107470 1022487534 /nfs/dbraw/zinc/48/75/34/1022487534.db2.gz WXNYNQFJCHNKMN-MOPGFXCFSA-N 1 0 383.879 3.759 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1Cl ZINC001140811395 1022600718 /nfs/dbraw/zinc/60/07/18/1022600718.db2.gz RQZLACDFZNORQO-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1Cl ZINC001140813250 1022610286 /nfs/dbraw/zinc/61/02/86/1022610286.db2.gz AMXIEGFDZGEXDP-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]12 ZINC001140814587 1022612717 /nfs/dbraw/zinc/61/27/17/1022612717.db2.gz NUFYZDIWSPROMU-DJIMGWMZSA-N 1 0 375.900 3.947 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)c1c(C)nn(C)c1C ZINC000754429279 1022701161 /nfs/dbraw/zinc/70/11/61/1022701161.db2.gz QVGYGFNVWVCLLZ-FQEVSTJZSA-N 1 0 381.524 3.641 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140922078 1022888656 /nfs/dbraw/zinc/88/86/56/1022888656.db2.gz GRZMMAREWKYVQH-OAQYLSRUSA-N 1 0 375.944 3.939 20 30 GHEDRO CCOc1ccc(/C=N\[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c(O)c1 ZINC000755031706 1023033026 /nfs/dbraw/zinc/03/30/26/1023033026.db2.gz MLRGPWQGULHWOU-QRAWFLTRSA-N 1 0 384.476 3.502 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](N=Cc3cc4ccccc4[nH]c3=O)C2)cc(OC)c1 ZINC000755031668 1023033131 /nfs/dbraw/zinc/03/31/31/1023033131.db2.gz LUCAZYJXLUQPLX-RIMPEIONSA-N 1 0 391.471 3.651 20 30 GHEDRO Cc1nc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c(C#N)cc1Br ZINC001228803079 1033105627 /nfs/dbraw/zinc/10/56/27/1033105627.db2.gz SNGGXYNBCFYHHC-UKRRQHHQSA-N 1 0 387.281 3.634 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000836610942 1023168195 /nfs/dbraw/zinc/16/81/95/1023168195.db2.gz ITRCENHBWUMQSB-RXVVDRJESA-N 1 0 397.544 3.642 20 30 GHEDRO C[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755876982 1023415487 /nfs/dbraw/zinc/41/54/87/1023415487.db2.gz ABGXMIHBLKCQDF-LQWHRVPQSA-N 1 0 378.472 3.779 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141077733 1023441876 /nfs/dbraw/zinc/44/18/76/1023441876.db2.gz YKCCGAQZMMZRFT-VWLOTQADSA-N 1 0 393.575 3.919 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1sc(N)c(C#N)c1Cl)[C@H]2CC ZINC001141110058 1023522948 /nfs/dbraw/zinc/52/29/48/1023522948.db2.gz XVSBPAUOIJDJPX-KXBFYZLASA-N 1 0 392.956 3.777 20 30 GHEDRO CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141113669 1023530685 /nfs/dbraw/zinc/53/06/85/1023530685.db2.gz NWWOKOKGUQAIKS-LBPRGKRZSA-N 1 0 398.960 3.934 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000756709235 1023784261 /nfs/dbraw/zinc/78/42/61/1023784261.db2.gz IPQXHJWIFBPTDU-MJGOQNOKSA-N 1 0 386.517 3.628 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000757016966 1023908754 /nfs/dbraw/zinc/90/87/54/1023908754.db2.gz GHTWWZBULJUEGX-GGAORHGYSA-N 1 0 375.516 3.962 20 30 GHEDRO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001141166198 1023995957 /nfs/dbraw/zinc/99/59/57/1023995957.db2.gz ZFHVEXHODKAPNU-QHCPKHFHSA-N 1 0 395.453 3.851 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001141186436 1024041623 /nfs/dbraw/zinc/04/16/23/1024041623.db2.gz UVZTVRLBCJHWTA-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1=O ZINC001141205345 1024125965 /nfs/dbraw/zinc/12/59/65/1024125965.db2.gz CSUXSSPRCKMIJM-QHCPKHFHSA-N 1 0 379.479 3.888 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1 ZINC001141263086 1024328157 /nfs/dbraw/zinc/32/81/57/1024328157.db2.gz JKMACCQOAYDOQU-SFHVURJKSA-N 1 0 388.512 3.664 20 30 GHEDRO COc1cc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000831055840 1024333804 /nfs/dbraw/zinc/33/38/04/1024333804.db2.gz PPRIOUYXDZDBIW-IEBWSBKVSA-N 1 0 377.488 3.597 20 30 GHEDRO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC001138269466 1024511471 /nfs/dbraw/zinc/51/14/71/1024511471.db2.gz HLJCIUMEUHEBRB-LJQANCHMSA-N 1 0 387.524 3.774 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC001138375375 1024740444 /nfs/dbraw/zinc/74/04/44/1024740444.db2.gz JUDVJEDOZYFUBK-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO Cc1c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)[nH]c2ccccc12 ZINC001138399498 1024778976 /nfs/dbraw/zinc/77/89/76/1024778976.db2.gz DUPZQRQHGGWSIF-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)c(OC)c(F)c1)CC2 ZINC001138421210 1024811621 /nfs/dbraw/zinc/81/16/21/1024811621.db2.gz KFMRKYUIFYYQEC-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccncc1NC(=O)C(C)(C)C)CC2 ZINC001138455670 1024880333 /nfs/dbraw/zinc/88/03/33/1024880333.db2.gz LCAOPXKZOKVCCJ-QHCPKHFHSA-N 1 0 398.551 3.599 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OCCN2CCOCC2)c(OC)c1 ZINC001138536412 1024978111 /nfs/dbraw/zinc/97/81/11/1024978111.db2.gz COEMUCLHQXQLAI-UHFFFAOYSA-N 1 0 396.531 3.594 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC001138559013 1025021117 /nfs/dbraw/zinc/02/11/17/1025021117.db2.gz CZDJSPZBCPZFLI-UHFFFAOYSA-N 1 0 388.511 3.827 20 30 GHEDRO Cc1cc(Cl)nc(Nc2ccc(C3([NH+]4CCN(C)CC4)CC3)cc2)c1C#N ZINC001205108144 1033255271 /nfs/dbraw/zinc/25/52/71/1033255271.db2.gz MQVJYSKVJZOOHI-UHFFFAOYSA-N 1 0 381.911 3.895 20 30 GHEDRO C=CCc1cccc(C[N@H+]2Cc3c(cnn3CC)[C@H](COCC3CC3)C2)c1O ZINC001138626885 1025125604 /nfs/dbraw/zinc/12/56/04/1025125604.db2.gz RTBRYLNAVQRTLT-FQEVSTJZSA-N 1 0 381.520 3.863 20 30 GHEDRO C=CCc1cccc(C[N@H+]2Cc3c(cnn3CC)[C@@H](COCC3CC3)C2)c1O ZINC001138626886 1025125829 /nfs/dbraw/zinc/12/58/29/1025125829.db2.gz RTBRYLNAVQRTLT-HXUWFJFHSA-N 1 0 381.520 3.863 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1O ZINC001138627791 1025128850 /nfs/dbraw/zinc/12/88/50/1025128850.db2.gz OXOOCYWWTKGTKD-XMMPIXPASA-N 1 0 391.515 3.530 20 30 GHEDRO C=CCc1cccc(C[N@@H+](CCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001138629742 1025131750 /nfs/dbraw/zinc/13/17/50/1025131750.db2.gz IESIZPIHUVZLRK-LJQANCHMSA-N 1 0 390.524 3.579 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001138662235 1025183030 /nfs/dbraw/zinc/18/30/30/1025183030.db2.gz QYBVMNSYSUGYFM-UNMCSNQZSA-N 1 0 394.490 3.871 20 30 GHEDRO N#Cc1ccc(CCNC(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cc1 ZINC001156836879 1033267072 /nfs/dbraw/zinc/26/70/72/1033267072.db2.gz HDPWBZNJQWIHJI-UHFFFAOYSA-N 1 0 388.849 3.865 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cnc(N(CC)CC)s1)C2 ZINC001138800359 1025386156 /nfs/dbraw/zinc/38/61/56/1025386156.db2.gz CWDFBMABRLGEBM-HXUWFJFHSA-N 1 0 376.570 3.522 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898297 1025427367 /nfs/dbraw/zinc/42/73/67/1025427367.db2.gz YIJMEMZBHCDNNS-HOCLYGCPSA-N 1 0 388.468 3.592 20 30 GHEDRO Cc1nc(C#N)cc(NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC001162033394 1025552746 /nfs/dbraw/zinc/55/27/46/1025552746.db2.gz WHJLQSAVHBKELW-UHFFFAOYSA-N 1 0 375.398 3.752 20 30 GHEDRO COCCC1([NH3+])CCN(c2c(C#N)c(Cl)nc3ccc(F)c(C)c32)CC1 ZINC001162044772 1025559214 /nfs/dbraw/zinc/55/92/14/1025559214.db2.gz AFCAQCWGJHCMLP-UHFFFAOYSA-N 1 0 376.863 3.542 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccccc4OC(F)F)C3)CC2=O)c1 ZINC001138908584 1025561399 /nfs/dbraw/zinc/56/13/99/1025561399.db2.gz IWHOMDNITDWFRU-QFIPXVFZSA-N 1 0 397.425 3.789 20 30 GHEDRO N#Cc1c(Cl)ncnc1NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001162050077 1025563736 /nfs/dbraw/zinc/56/37/36/1025563736.db2.gz VFYBGTSNRHITKT-UHFFFAOYSA-N 1 0 395.816 3.797 20 30 GHEDRO CC[C@@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001141569893 1025600418 /nfs/dbraw/zinc/60/04/18/1025600418.db2.gz UOWPIZCDBHWSKB-GGAORHGYSA-N 1 0 375.516 3.712 20 30 GHEDRO COC(=O)c1cccc(CN(c2cc(C#N)cc(Cl)n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162189807 1025656901 /nfs/dbraw/zinc/65/69/01/1025656901.db2.gz HRDGMNBQRCGINS-IYARVYRRSA-N 1 0 398.894 3.670 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2nc(-c3ccc(F)cc3)nc3ccc(Cl)cc32)CC1 ZINC001162227496 1025678887 /nfs/dbraw/zinc/67/88/87/1025678887.db2.gz UPXLPCYLWYRCQX-UHFFFAOYSA-N 1 0 395.869 3.911 20 30 GHEDRO N#Cc1cc2c(nc1N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)CCOC2 ZINC001162237337 1025685881 /nfs/dbraw/zinc/68/58/81/1025685881.db2.gz KSQSZUDNJQICFJ-NRFANRHFSA-N 1 0 380.467 3.708 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OCC)c(OCC)c3)C2)CC1 ZINC001138971196 1025686544 /nfs/dbraw/zinc/68/65/44/1025686544.db2.gz YRGOJDUPPDBTNK-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO Cc1cc(NC2CCN(c3ccc(C#N)cc3)CC2)ccc1OCC[NH+](C)C ZINC000839187917 1025705318 /nfs/dbraw/zinc/70/53/18/1025705318.db2.gz ZFURVFDPZMRDEB-UHFFFAOYSA-N 1 0 378.520 3.888 20 30 GHEDRO Cc1nc(C#Cc2ccnc(N[C@H]3C[C@@](C)([NH3+])C3)c2)c(C)n1-c1ccc(F)cc1 ZINC001162328661 1025715971 /nfs/dbraw/zinc/71/59/71/1025715971.db2.gz VPAGEMBCGIAGLA-OKDJAKQTSA-N 1 0 389.478 3.715 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cn(C)c3ccc(OC)cc13)CC2 ZINC001139147852 1025961777 /nfs/dbraw/zinc/96/17/77/1025961777.db2.gz NNVDQQWCLZEYAJ-QHCPKHFHSA-N 1 0 381.520 3.720 20 30 GHEDRO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1cccc2c1ccn2CC ZINC001139153348 1025973278 /nfs/dbraw/zinc/97/32/78/1025973278.db2.gz QLIFPCLJSZGEEF-NRFANRHFSA-N 1 0 379.508 3.575 20 30 GHEDRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[NH+]2CCC(CC#N)CC2)cc1 ZINC000839548406 1026042180 /nfs/dbraw/zinc/04/21/80/1026042180.db2.gz AWZVOQVQZWCILT-LJQANCHMSA-N 1 0 387.524 3.929 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1NCc1noc2c1C[NH2+]CC2 ZINC001163129988 1026060096 /nfs/dbraw/zinc/06/00/96/1026060096.db2.gz SITIJNRUMDSMLY-UHFFFAOYSA-N 1 0 392.221 3.798 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c1C#N ZINC001163274316 1026118974 /nfs/dbraw/zinc/11/89/74/1026118974.db2.gz LCBQJTBCOAPPKE-SFHVURJKSA-N 1 0 387.512 3.864 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1cc(Cl)cc(C#N)n1)c1ccc(Cl)cc1 ZINC001163385514 1026173344 /nfs/dbraw/zinc/17/33/44/1026173344.db2.gz WTRGTPJXXMJOSZ-QGZVFWFLSA-N 1 0 379.291 3.991 20 30 GHEDRO COC(=O)c1ccc2nc(Cl)c(NC(C)=NCc3cccc(C[NH3+])c3)nc2c1 ZINC001163465885 1026204752 /nfs/dbraw/zinc/20/47/52/1026204752.db2.gz HWNDYUUGGRWAHB-UHFFFAOYSA-N 1 0 397.866 3.559 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)nc3)C2)cc1 ZINC001139346760 1026214954 /nfs/dbraw/zinc/21/49/54/1026214954.db2.gz UGASPDJXHCMGNH-JOCHJYFZSA-N 1 0 376.504 3.987 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139401707 1026272735 /nfs/dbraw/zinc/27/27/35/1026272735.db2.gz FSQZSPKEBPFMAG-IBGZPJMESA-N 1 0 378.476 3.719 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@@H](C(F)(F)F)[C@H]3CO)cc2)c1 ZINC001139402824 1026274966 /nfs/dbraw/zinc/27/49/66/1026274966.db2.gz YONXBVLGMLWSPG-IEBWSBKVSA-N 1 0 375.394 3.755 20 30 GHEDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)n1 ZINC001139404651 1026276734 /nfs/dbraw/zinc/27/67/34/1026276734.db2.gz SUVVNYNLYNPZKQ-OAQYLSRUSA-N 1 0 385.471 3.762 20 30 GHEDRO N#CC1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)C1 ZINC001163694448 1026285693 /nfs/dbraw/zinc/28/56/93/1026285693.db2.gz OHXXMMOKGCOTBW-UHFFFAOYSA-N 1 0 394.906 3.716 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@]4(C3)C(=O)Nc3ccccc34)cn2)cc1 ZINC001139426404 1026298583 /nfs/dbraw/zinc/29/85/83/1026298583.db2.gz UBIOMOGWVHZVBR-DEOSSOPVSA-N 1 0 396.450 3.841 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(c3ccc([C@H]4CCCC[N@H+]4CC)cn3)C2)CC1 ZINC001163870129 1026346417 /nfs/dbraw/zinc/34/64/17/1026346417.db2.gz SFXDNGFKBVZDRM-HXUWFJFHSA-N 1 0 398.551 3.853 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139527904 1026384946 /nfs/dbraw/zinc/38/49/46/1026384946.db2.gz JGBPDZOBOHQKOS-JOCHJYFZSA-N 1 0 393.506 3.953 20 30 GHEDRO Cc1cccc(N2CCC[C@]3(CN(Cc4ccc(C#N)c(F)c4)CCO3)C2)c1 ZINC001139527476 1026385140 /nfs/dbraw/zinc/38/51/40/1026385140.db2.gz CUWFOXYCBOBYCO-QHCPKHFHSA-N 1 0 379.479 3.877 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc1F ZINC001139528723 1026386985 /nfs/dbraw/zinc/38/69/85/1026386985.db2.gz USCZPPWXXDURMH-UHFFFAOYSA-N 1 0 395.453 3.994 20 30 GHEDRO Cc1cc(N2CCN(c3nc(Cl)c(C#N)cc3C#N)CC2)c2ccccc2[nH+]1 ZINC001164199463 1026447995 /nfs/dbraw/zinc/44/79/95/1026447995.db2.gz SWMSQGPYMJFTHE-UHFFFAOYSA-N 1 0 388.862 3.662 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3cccc4[nH]c(C#N)cc43)CC2)cc1 ZINC001164333863 1026487947 /nfs/dbraw/zinc/48/79/47/1026487947.db2.gz GVMWENYYCYJIFD-UHFFFAOYSA-N 1 0 389.503 3.672 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2CF)CC1 ZINC001139646120 1026506812 /nfs/dbraw/zinc/50/68/12/1026506812.db2.gz JMEOYIWSBNNZCO-SJORKVTESA-N 1 0 391.462 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001139646523 1026507266 /nfs/dbraw/zinc/50/72/66/1026507266.db2.gz WIAMDTLAMQVWFK-RXVVDRJESA-N 1 0 391.462 3.868 20 30 GHEDRO N#Cc1ccc(F)c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001139647957 1026509386 /nfs/dbraw/zinc/50/93/86/1026509386.db2.gz UHGDTTKDQFRDIJ-VWNXMTODSA-N 1 0 397.538 3.658 20 30 GHEDRO N#Cc1ncc(N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1C#N ZINC001165139107 1026631183 /nfs/dbraw/zinc/63/11/83/1026631183.db2.gz HLHGFMWPZBZUKE-OAQYLSRUSA-N 1 0 394.482 3.501 20 30 GHEDRO N#Cc1cc(C(F)(F)N2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc(Cl)n1 ZINC001165158506 1026639322 /nfs/dbraw/zinc/63/93/22/1026639322.db2.gz AAMFEOSNERUCID-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1nc(Cl)c(C#N)cc1C#N ZINC001165184356 1026652707 /nfs/dbraw/zinc/65/27/07/1026652707.db2.gz WQJMCAHEBCLZRH-DNVCBOLYSA-N 1 0 379.895 3.825 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139869331 1026683234 /nfs/dbraw/zinc/68/32/34/1026683234.db2.gz FRRFXVZYTQGAES-SFHVURJKSA-N 1 0 395.588 3.626 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(Cl)c(Br)cc1F ZINC001139874431 1026690479 /nfs/dbraw/zinc/69/04/79/1026690479.db2.gz XXZQLNVJPQAZEB-UHFFFAOYSA-N 1 0 377.685 3.822 20 30 GHEDRO N#Cc1cc2c(nc1N(c1cccc(F)c1)[C@H]1CO[C@@]3(C1)CCC[NH2+]C3)CCC2 ZINC001165479328 1026741998 /nfs/dbraw/zinc/74/19/98/1026741998.db2.gz JWJPUUSFSQRHAS-NFBKMPQASA-N 1 0 392.478 3.630 20 30 GHEDRO CNc1nccc(C[N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC001140047253 1026829504 /nfs/dbraw/zinc/82/95/04/1026829504.db2.gz FUIQQBGVARXEQW-OAQYLSRUSA-N 1 0 383.499 3.850 20 30 GHEDRO Cc1nc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)c(C#N)c(C)c1Cl ZINC001165823091 1026846052 /nfs/dbraw/zinc/84/60/52/1026846052.db2.gz QYJUZIZRWZLXOT-UHFFFAOYSA-N 1 0 395.869 3.904 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c2c1 ZINC001140114022 1026896129 /nfs/dbraw/zinc/89/61/29/1026896129.db2.gz HTOWRRWWIDRDPP-DEOSSOPVSA-N 1 0 395.466 3.540 20 30 GHEDRO CCOC(=O)c1coc(C2CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)n1 ZINC001140116814 1026898597 /nfs/dbraw/zinc/89/85/97/1026898597.db2.gz HMMOGIMAVYZJJK-UHFFFAOYSA-N 1 0 378.432 3.584 20 30 GHEDRO N#Cc1cnc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)c2cc(-c3ccccc3)sc21 ZINC001166701732 1027062091 /nfs/dbraw/zinc/06/20/91/1027062091.db2.gz SNGRJWXFOSXSSF-KRWDZBQOSA-N 1 0 398.495 3.925 20 30 GHEDRO N#Cc1ccc(N2CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)nc1 ZINC001166843666 1027107455 /nfs/dbraw/zinc/10/74/55/1027107455.db2.gz GXVCILHJJKGMCL-UHFFFAOYSA-N 1 0 398.514 3.818 20 30 GHEDRO N#Cc1cccc2c(NC[C@H](c3ccccc3)[NH+]3CCCC3)nc(Cl)nc12 ZINC001166889337 1027134692 /nfs/dbraw/zinc/13/46/92/1027134692.db2.gz QNUQEAKPCQZWGY-GOSISDBHSA-N 1 0 377.879 3.826 20 30 GHEDRO COc1cc(C#N)cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1OC(C)=O ZINC001166901418 1027142987 /nfs/dbraw/zinc/14/29/87/1027142987.db2.gz PQVGCXHBRROEPY-HXUWFJFHSA-N 1 0 379.460 3.741 20 30 GHEDRO C=CCn1c(-c2cccc(Cl)c2)nn(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1=S ZINC000840133196 1027261809 /nfs/dbraw/zinc/26/18/09/1027261809.db2.gz QEJQBDBEVUKDLC-WBVHZDCISA-N 1 0 389.956 3.514 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1=S ZINC000840151540 1027283049 /nfs/dbraw/zinc/28/30/49/1027283049.db2.gz HPCNGMSKAWAHMZ-LJQANCHMSA-N 1 0 385.581 3.563 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccc(OC)c3OC)C2)CC1 ZINC001203439583 1027339550 /nfs/dbraw/zinc/33/95/50/1027339550.db2.gz MAMCKOGGCQHHFH-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001203706757 1027546563 /nfs/dbraw/zinc/54/65/63/1027546563.db2.gz OGVNSACTKUXKAQ-XMMPIXPASA-N 1 0 375.516 3.986 20 30 GHEDRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203758158 1027581650 /nfs/dbraw/zinc/58/16/50/1027581650.db2.gz SFDSJOAVTHXBPL-UHFFFAOYSA-N 1 0 397.526 3.858 20 30 GHEDRO N#Cc1ccc(CN2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001203901324 1027694829 /nfs/dbraw/zinc/69/48/29/1027694829.db2.gz LRJJMPVKYRRPGC-NRFANRHFSA-N 1 0 382.458 3.687 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccc(Cl)cc4)C3)C2)n1 ZINC001203919678 1027707467 /nfs/dbraw/zinc/70/74/67/1027707467.db2.gz IJRNZIQTRPDEMY-JOCHJYFZSA-N 1 0 396.922 3.726 20 30 GHEDRO CSc1nc(C[N@H+](C)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141944081 1027721700 /nfs/dbraw/zinc/72/17/00/1027721700.db2.gz WVMCZMMAMWJSOB-FQEVSTJZSA-N 1 0 390.553 3.897 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840758834 1027797712 /nfs/dbraw/zinc/79/77/12/1027797712.db2.gz HQMNXFRYIUPSNF-OAQYLSRUSA-N 1 0 383.442 3.840 20 30 GHEDRO C#CCC1(NC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCCCC1 ZINC001211148436 1027811469 /nfs/dbraw/zinc/81/14/69/1027811469.db2.gz RLPODETWWFLWHM-UHFFFAOYSA-N 1 0 396.579 3.533 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@](C)(c2ccccc2)C1)C(C)C ZINC001211221626 1027841695 /nfs/dbraw/zinc/84/16/95/1027841695.db2.gz HLTFLZUSARQTQQ-FYYLOGMGSA-N 1 0 385.552 3.642 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@H](C2CCOCC2)C1)C(C)C ZINC001211223164 1027843630 /nfs/dbraw/zinc/84/36/30/1027843630.db2.gz RXSXKVHBZQYDLS-FCHUYYIVSA-N 1 0 391.600 3.923 20 30 GHEDRO N#Cc1ccc([C@@H](c2nc(-c3ccc4ccccc4c3)no2)N2CC[NH2+]CC2)cc1 ZINC001211380231 1027931930 /nfs/dbraw/zinc/93/19/30/1027931930.db2.gz XGHWVYWANULAAJ-QFIPXVFZSA-N 1 0 395.466 3.756 20 30 GHEDRO C#CCCCC(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000841214807 1028290465 /nfs/dbraw/zinc/29/04/65/1028290465.db2.gz CDNYHPDIYMPHCZ-UHFFFAOYSA-N 1 0 380.330 3.568 20 30 GHEDRO COCOc1cccc(Cl)c1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001214311721 1028665891 /nfs/dbraw/zinc/66/58/91/1028665891.db2.gz SWNIVEOBSJWNGX-UHFFFAOYSA-N 1 0 386.883 3.690 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1C)C(=S)NC[C@@H]1CCCCO1 ZINC000179392712 1028762376 /nfs/dbraw/zinc/76/23/76/1028762376.db2.gz YSMVDWDJTLABMJ-IBGZPJMESA-O 1 0 397.564 3.942 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001461429707 1069545922 /nfs/dbraw/zinc/54/59/22/1069545922.db2.gz ITCUDUBWNJUQGZ-QHCPKHFHSA-N 1 0 399.498 3.646 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@H](C)[C@@H](C)[C@@H]2C)c1=S ZINC000841693196 1028845416 /nfs/dbraw/zinc/84/54/16/1028845416.db2.gz TXUIBFCQEISHJY-KSZLIROESA-N 1 0 377.602 3.562 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC001461517623 1069587718 /nfs/dbraw/zinc/58/77/18/1069587718.db2.gz UBPLHYSOQTZHOJ-OIISXLGYSA-N 1 0 382.342 3.943 20 30 GHEDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001216110864 1029528019 /nfs/dbraw/zinc/52/80/19/1029528019.db2.gz UONCZXZURXPMKE-AWEZNQCLSA-N 1 0 388.903 3.639 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001142916279 1029688438 /nfs/dbraw/zinc/68/84/38/1029688438.db2.gz RBVMFRAXQKDJCA-QFIPXVFZSA-N 1 0 380.492 3.872 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C2)CC1 ZINC001142916547 1029689637 /nfs/dbraw/zinc/68/96/37/1029689637.db2.gz VCCFXIILIWPVRF-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CCC[C@@H](NC(=O)c4ccc(F)cc4)C3)c[nH]c2c1 ZINC001142925695 1029701538 /nfs/dbraw/zinc/70/15/38/1029701538.db2.gz BIHHQTWEQQQBHE-LJQANCHMSA-N 1 0 376.435 3.573 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CCC[C@@H](NC(=O)c4cccc(F)c4)C3)c[nH]c2c1 ZINC001142926525 1029702125 /nfs/dbraw/zinc/70/21/25/1029702125.db2.gz UKTRYGBCNBYOLV-LJQANCHMSA-N 1 0 376.435 3.573 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@]4(CC(=O)N(c5cccc(F)c5)C4)C3)c[nH]c2c1 ZINC001142929009 1029710894 /nfs/dbraw/zinc/71/08/94/1029710894.db2.gz SDKIXBQHJZSPMG-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 ZINC001461591917 1069627063 /nfs/dbraw/zinc/62/70/63/1069627063.db2.gz DCVNPXOSLIMHKL-RTBURBONSA-N 1 0 386.540 3.818 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001222004541 1029926959 /nfs/dbraw/zinc/92/69/59/1029926959.db2.gz IXKRMUGAXHAUQG-LEWJYISDSA-N 1 0 398.551 3.964 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001222004544 1029927081 /nfs/dbraw/zinc/92/70/81/1029927081.db2.gz IXKRMUGAXHAUQG-SFTDATJTSA-N 1 0 398.551 3.964 20 30 GHEDRO CCC(CC)[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+](C)C ZINC001217008613 1030080194 /nfs/dbraw/zinc/08/01/94/1030080194.db2.gz XBWXUPLJEQOGEZ-HNNXBMFYSA-N 1 0 386.418 3.945 20 30 GHEDRO Cc1nsc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)c1C#N ZINC001217511473 1030452391 /nfs/dbraw/zinc/45/23/91/1030452391.db2.gz HJOWNYVELAJDKR-GOSISDBHSA-N 1 0 383.521 3.698 20 30 GHEDRO CCc1ccc(-c2nnc(-c3cccc(NC(=O)[C@@H]4C[C@H](S)C[NH2+]4)c3)o2)cc1 ZINC001217759887 1030649993 /nfs/dbraw/zinc/64/99/93/1030649993.db2.gz LQNPYVXLFVWADR-ROUUACIJSA-N 1 0 394.500 3.565 20 30 GHEDRO N#C[C@@H](OC[C@H]1CC[C@]2(C[NH2+]CCOC2)O1)c1cccc(Oc2ccccc2)c1 ZINC001217870394 1030665603 /nfs/dbraw/zinc/66/56/03/1030665603.db2.gz NGINCNPHWCYOBP-DNVJHFABSA-N 1 0 394.471 3.598 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@H]3C[NH2+]CC[C@@H]3F)cc2)C=C1 ZINC001217961724 1030690765 /nfs/dbraw/zinc/69/07/65/1030690765.db2.gz QRPZNUBBEGIPRA-GOTSBHOMSA-N 1 0 391.442 3.968 20 30 GHEDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 ZINC001217964918 1030692134 /nfs/dbraw/zinc/69/21/34/1030692134.db2.gz KFAXFFJHUHIJEK-WHFPDTAASA-N 1 0 391.467 3.634 20 30 GHEDRO ON=Cc1cc(Br)cc(Br)c1O[C@H]1CCC[NH2+]CC1 ZINC001218000248 1030715717 /nfs/dbraw/zinc/71/57/17/1030715717.db2.gz PGPQQUZTMXRDHQ-NSHDSACASA-N 1 0 392.091 3.541 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[NH2+][C@H](C)C2)c1OC ZINC001218052214 1030742865 /nfs/dbraw/zinc/74/28/65/1030742865.db2.gz AHKLYKPLGGUILI-FKLRVFMWSA-N 1 0 397.471 3.825 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001223765327 1030743147 /nfs/dbraw/zinc/74/31/47/1030743147.db2.gz IWXYOADQPMCTJP-LJQANCHMSA-N 1 0 382.435 3.665 20 30 GHEDRO COc1cc(O[C@H]2CC[NH2+][C@H](C)C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218053962 1030745097 /nfs/dbraw/zinc/74/50/97/1030745097.db2.gz VNOGCOBHDKKKRO-ZSDFOQAISA-N 1 0 395.455 3.579 20 30 GHEDRO CCCCC/C=C\C(=O)CCc1ccc(O[C@H]2COC3(C[NH2+]C3)C2)c(OC)c1 ZINC001218063199 1030751251 /nfs/dbraw/zinc/75/12/51/1030751251.db2.gz SGFOSBZRFYYXTH-WHXUGTBJSA-N 1 0 387.520 3.843 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218080707 1030760047 /nfs/dbraw/zinc/76/00/47/1030760047.db2.gz DSHZANCRGBWELU-XMGLVOBQSA-N 1 0 379.456 3.905 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(O[C@H]3CCC34CC[NH2+]CC4)cccc1C2=O ZINC001218082453 1030761218 /nfs/dbraw/zinc/76/12/18/1030761218.db2.gz VHCVYVYZBBLLTI-KRWDZBQOSA-N 1 0 381.472 3.820 20 30 GHEDRO COc1ccccc1/C=C\C(=O)c1ccccc1O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001218103495 1030773589 /nfs/dbraw/zinc/77/35/89/1030773589.db2.gz QGBNQNJOGGFZDP-MQNTZWLQSA-N 1 0 381.497 3.818 20 30 GHEDRO CCCCCCCC(=O)/C=C/c1ccc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c(OC)c1 ZINC001218110903 1030777859 /nfs/dbraw/zinc/77/78/59/1030777859.db2.gz POENOELZUBLBIQ-ONRCFVEDSA-N 1 0 386.536 3.673 20 30 GHEDRO COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001223891381 1030795746 /nfs/dbraw/zinc/79/57/46/1030795746.db2.gz IRTGTTPHHVDGDS-BLRPHQBRSA-N 1 0 390.867 3.784 20 30 GHEDRO COc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218186791 1030814258 /nfs/dbraw/zinc/81/42/58/1030814258.db2.gz VLMQSFXPGUUKRS-SLNLSDFBSA-N 1 0 379.456 3.959 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1c(Br)c(C(F)(F)F)nc2ccccc21 ZINC001218199759 1030821988 /nfs/dbraw/zinc/82/19/88/1030821988.db2.gz HIHFQBYLWUCNIL-KWQFWETISA-N 1 0 386.171 3.506 20 30 GHEDRO C=C[C@H](CC(=O)OC(C)(C)C)Oc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC001218215328 1030834514 /nfs/dbraw/zinc/83/45/14/1030834514.db2.gz HMTQMMNSCBYGNB-MRXNPFEDSA-N 1 0 389.471 3.765 20 30 GHEDRO C[C@H]1CC[C@H](Oc2nnc(Cc3ccc(F)c(C#N)c3)c3ccccc32)C[NH2+]1 ZINC001218397908 1030919886 /nfs/dbraw/zinc/91/98/86/1030919886.db2.gz HTTUUINJUNMTRS-YOEHRIQHSA-N 1 0 376.435 3.751 20 30 GHEDRO O=C(c1ccc(O[C@H](C#Cc2ccccc2)c2ccccc2)cc1)N1CC[NH2+]CC1 ZINC001218438495 1030936678 /nfs/dbraw/zinc/93/66/78/1030936678.db2.gz JZXRYFWOWWUGMO-RUZDIDTESA-N 1 0 396.490 3.904 20 30 GHEDRO CC[C@H](C#Cc1ccccc1)Oc1cccc2c1C(=O)CC1(CC[NH2+]CC1)O2 ZINC001218440166 1030936833 /nfs/dbraw/zinc/93/68/33/1030936833.db2.gz YSMJDEHJBOYLEA-LJQANCHMSA-N 1 0 375.468 3.983 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccnc2c(I)cccc12 ZINC001218456454 1030943345 /nfs/dbraw/zinc/94/33/45/1030943345.db2.gz PTKMXMPUMDBAIM-GDBMZVCRSA-N 1 0 394.256 3.915 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC001224253405 1030943639 /nfs/dbraw/zinc/94/36/39/1030943639.db2.gz KMVCIFFVGJTDKJ-PKOBYXMFSA-N 1 0 393.453 3.738 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)c(C#N)c2)nc1C ZINC001218461415 1030946596 /nfs/dbraw/zinc/94/65/96/1030946596.db2.gz RQAALHCKLAZUPN-YXJHDRRASA-N 1 0 397.500 3.544 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)c2)cc1OC ZINC001218479779 1030954231 /nfs/dbraw/zinc/95/42/31/1030954231.db2.gz SVWVELTUTIWNRL-ACFMQWGBSA-N 1 0 379.456 3.872 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)c2)cc1OC ZINC001218492389 1030959940 /nfs/dbraw/zinc/95/99/40/1030959940.db2.gz UAZJDKCSGWCUMW-LNWHKYHYSA-N 1 0 379.456 3.729 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224389771 1030982946 /nfs/dbraw/zinc/98/29/46/1030982946.db2.gz UIFMUQMZUCIZMP-ISKFKSNPSA-N 1 0 375.516 3.962 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1c2ccc(C)nc2sc1C(=O)OC ZINC001218659259 1031022470 /nfs/dbraw/zinc/02/24/70/1031022470.db2.gz DYEPAAOFZWKNGC-AWEZNQCLSA-N 1 0 375.494 3.794 20 30 GHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001152052078 1031090086 /nfs/dbraw/zinc/09/00/86/1031090086.db2.gz CTJPPPCAMJMYNQ-FQEVSTJZSA-N 1 0 396.535 3.580 20 30 GHEDRO C=CCCSCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001224762015 1031106787 /nfs/dbraw/zinc/10/67/87/1031106787.db2.gz JZKWTOAXKXCJPZ-QHAWAJNXSA-N 1 0 387.593 3.896 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)CC[NH2+]2)c(OC(F)(F)F)c1 ZINC001218840010 1031107069 /nfs/dbraw/zinc/10/70/69/1031107069.db2.gz KEYONUBAIBVYIV-DOTOQJQBSA-N 1 0 389.377 3.931 20 30 GHEDRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1OC(F)(F)F ZINC001218840228 1031107345 /nfs/dbraw/zinc/10/73/45/1031107345.db2.gz OXQGIQZOUOTHQH-HNNXBMFYSA-N 1 0 397.784 3.879 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(-c3cccnc3)cc2)C1 ZINC001218914129 1031149775 /nfs/dbraw/zinc/14/97/75/1031149775.db2.gz DRKKGFGGRLSUNI-HXOBKFHXSA-N 1 0 382.467 3.780 20 30 GHEDRO CCc1cc(Br)cc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)c1 ZINC001218979217 1031192098 /nfs/dbraw/zinc/19/20/98/1031192098.db2.gz ZRKNQYHNPKCKJR-KRWDZBQOSA-N 1 0 386.293 3.782 20 30 GHEDRO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001219112396 1031257698 /nfs/dbraw/zinc/25/76/98/1031257698.db2.gz GCAXPQOWIYAWJC-CVEARBPZSA-N 1 0 391.368 3.966 20 30 GHEDRO C=CCCc1ccc(C(=O)Nc2cc(F)ccc2OCC2CC[NH2+]CC2)c(=O)[nH]1 ZINC001219127475 1031263096 /nfs/dbraw/zinc/26/30/96/1031263096.db2.gz DNSKQAGXYPVMEX-UHFFFAOYSA-N 1 0 399.466 3.676 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC001152751953 1031346220 /nfs/dbraw/zinc/34/62/20/1031346220.db2.gz GAHNNJLJARURLI-GOSISDBHSA-N 1 0 383.442 3.963 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)C2(Cc3ccccn3)CC[NH2+]CC2)c1 ZINC001219308658 1031350202 /nfs/dbraw/zinc/35/02/02/1031350202.db2.gz FGVSNEFYNDQZMQ-UHFFFAOYSA-N 1 0 391.591 3.862 20 30 GHEDRO N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC001219314234 1031352235 /nfs/dbraw/zinc/35/22/35/1031352235.db2.gz BFPSNTTVNJMTRB-FQEVSTJZSA-N 1 0 377.394 3.934 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)CC1 ZINC001219367073 1031380717 /nfs/dbraw/zinc/38/07/17/1031380717.db2.gz RLFWJUCUBFRZSQ-UHFFFAOYSA-N 1 0 391.475 3.826 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1OC ZINC001461766557 1069733456 /nfs/dbraw/zinc/73/34/56/1069733456.db2.gz MFRIPQKSCGOQSD-SJLPKXTDSA-N 1 0 390.524 3.995 20 30 GHEDRO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001152944175 1031404610 /nfs/dbraw/zinc/40/46/10/1031404610.db2.gz UBTMZDDQAJQYRG-HXUWFJFHSA-N 1 0 399.535 3.918 20 30 GHEDRO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)c1 ZINC001219495206 1031460324 /nfs/dbraw/zinc/46/03/24/1031460324.db2.gz QKLINJZXSHYDFR-QFIPXVFZSA-N 1 0 397.478 3.915 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cn3)cc2)C1 ZINC001219652617 1031542181 /nfs/dbraw/zinc/54/21/81/1031542181.db2.gz HOZOUBSLENMIQT-IAGOWNOFSA-N 1 0 377.492 3.753 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226488515 1031978787 /nfs/dbraw/zinc/97/87/87/1031978787.db2.gz DPUJTQALVDGJPH-MRXNPFEDSA-O 1 0 379.436 3.533 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001226609492 1032039401 /nfs/dbraw/zinc/03/94/01/1032039401.db2.gz CSDBXSVCPYUWIA-ZCNNSNEGSA-N 1 0 391.943 3.727 20 30 GHEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001205389102 1033390441 /nfs/dbraw/zinc/39/04/41/1033390441.db2.gz SOSYNQCFRBDGDD-MRXNPFEDSA-N 1 0 384.487 3.946 20 30 GHEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1NC(=N)NCCCC[NH3+] ZINC001157102300 1033414728 /nfs/dbraw/zinc/41/47/28/1033414728.db2.gz WOPSAJUPWAXYAI-UHFFFAOYSA-N 1 0 384.487 3.962 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205459119 1033422488 /nfs/dbraw/zinc/42/24/88/1033422488.db2.gz CCQKUDIHFJDMRR-GHTZIAJQSA-N 1 0 391.462 3.868 20 30 GHEDRO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2ccc(F)c(C#N)c2)CC3)cs1 ZINC001205467427 1033425071 /nfs/dbraw/zinc/42/50/71/1033425071.db2.gz QQHFWKCHJHXLNB-UHFFFAOYSA-N 1 0 398.507 3.620 20 30 GHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC001205528657 1033455919 /nfs/dbraw/zinc/45/59/19/1033455919.db2.gz POMFPVBYBBGQQD-HNNXBMFYSA-N 1 0 392.569 3.882 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2CCC[N@H+](C)C2)c1 ZINC001229466923 1033499769 /nfs/dbraw/zinc/49/97/69/1033499769.db2.gz YQJFKNSFOIHTBD-MZEUMTGBSA-N 1 0 397.471 3.779 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001229590047 1033577954 /nfs/dbraw/zinc/57/79/54/1033577954.db2.gz DKRREAFODJFJBD-YXOJNZSOSA-N 1 0 397.471 3.951 20 30 GHEDRO C[C@@H](C(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001157477664 1033611726 /nfs/dbraw/zinc/61/17/26/1033611726.db2.gz NGYJWJGPGCGUGD-KRWDZBQOSA-N 1 0 381.545 3.921 20 30 GHEDRO CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)N4C)c2C1 ZINC001229648034 1033615152 /nfs/dbraw/zinc/61/51/52/1033615152.db2.gz PZFWETQINGNHNO-YGPVHKFASA-N 1 0 384.564 3.657 20 30 GHEDRO CN1[C@@H]2C[C@@H](Oc3ccc(/C=C/c4ccc([N+](=O)[O-])cc4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229950324 1033811565 /nfs/dbraw/zinc/81/15/65/1033811565.db2.gz GQVONZMOAYONEW-XDJAROKVSA-N 1 0 378.428 3.756 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N(c3ccc(C(F)(F)F)cn3)C3CC[NH2+]CC3)c1-2 ZINC001158092487 1033912118 /nfs/dbraw/zinc/91/21/18/1033912118.db2.gz QHJGLQGIXRXCFT-UHFFFAOYSA-N 1 0 386.381 3.738 20 30 GHEDRO C[C@@H](C[N+](C)(C)C)Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001230259413 1033967958 /nfs/dbraw/zinc/96/79/58/1033967958.db2.gz FBGUDVILGFLUQA-HNNXBMFYSA-N 1 0 379.459 3.705 20 30 GHEDRO COc1cc(C(F)(F)N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c(C#N)c(Cl)n1 ZINC001158263451 1033993088 /nfs/dbraw/zinc/99/30/88/1033993088.db2.gz DDKOTKRCYASTLN-GTNSWQLSSA-N 1 0 386.874 3.798 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001158297255 1034012134 /nfs/dbraw/zinc/01/21/34/1034012134.db2.gz YASSZHPWKSJEOX-UHFFFAOYSA-N 1 0 390.821 3.977 20 30 GHEDRO COc1ccnc(N(c2nc(Cl)c(Cl)cc2C#N)C2CC[NH2+]CC2)c1 ZINC001158322438 1034022994 /nfs/dbraw/zinc/02/29/94/1034022994.db2.gz DIAUOZRMCWFEKJ-UHFFFAOYSA-N 1 0 378.263 3.554 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001230488737 1034085102 /nfs/dbraw/zinc/08/51/02/1034085102.db2.gz BUSATMBJCIITMM-FGZHOGPDSA-N 1 0 395.934 3.973 20 30 GHEDRO C=CCN(CCN1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001207202080 1034170550 /nfs/dbraw/zinc/17/05/50/1034170550.db2.gz LLWHLGBSVLPJQG-ROUUACIJSA-N 1 0 391.581 3.535 20 30 GHEDRO C=CCN(CC[NH+]1CCC(Oc2ncccc2C)CC1)C(=O)OC(C)(C)C ZINC001207204250 1034172394 /nfs/dbraw/zinc/17/23/94/1034172394.db2.gz IAARUFJMXXXNCQ-UHFFFAOYSA-N 1 0 375.513 3.656 20 30 GHEDRO C=CCN(CC[NH+]1CCC2(CC1)CC(=O)Nc1ccccc12)C(=O)OC(C)(C)C ZINC001207205002 1034172428 /nfs/dbraw/zinc/17/24/28/1034172428.db2.gz DIHQLUHYZPFJLN-UHFFFAOYSA-N 1 0 399.535 3.786 20 30 GHEDRO C[N@H+](C1CN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)C1)[C@H]1CCOC1 ZINC001158730794 1034250469 /nfs/dbraw/zinc/25/04/69/1034250469.db2.gz AQHUHIFEAYXOAJ-KRWDZBQOSA-N 1 0 390.512 3.744 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](CCCc3ccc(Br)cc3)CC2)nc1 ZINC001207322028 1034270175 /nfs/dbraw/zinc/27/01/75/1034270175.db2.gz HKKJFWFPRIFOAX-UHFFFAOYSA-N 1 0 399.336 3.861 20 30 GHEDRO COC(=O)C[C@@H](C)c1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001231012935 1034342744 /nfs/dbraw/zinc/34/27/44/1034342744.db2.gz RUPYQWOULIPLFV-VGOFRKELSA-N 1 0 378.472 3.878 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1C#N ZINC001231035917 1034353986 /nfs/dbraw/zinc/35/39/86/1034353986.db2.gz XDDDEJIRTGANEE-WTIAFYNJSA-N 1 0 390.483 3.563 20 30 GHEDRO C#C[C@@H](C)Oc1cc2c(cc1OC)C[N@@+]1(C)CCc3cc(OC)c(O)cc3[C@@H]1C2 ZINC001231125860 1034413053 /nfs/dbraw/zinc/41/30/53/1034413053.db2.gz WSOOVQLUGADWQB-LYWOYCCESA-O 1 0 394.491 3.610 20 30 GHEDRO N#Cc1ccc(CNC(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cc1F ZINC001159090818 1034423268 /nfs/dbraw/zinc/42/32/68/1034423268.db2.gz ZDCQRCAWRRHKGR-UHFFFAOYSA-N 1 0 392.812 3.962 20 30 GHEDRO C#CCN(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001231399702 1034562611 /nfs/dbraw/zinc/56/26/11/1034562611.db2.gz IVPUUQLHJNCCDO-ISKFKSNPSA-N 1 0 387.527 3.983 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)C1 ZINC001207768472 1034565043 /nfs/dbraw/zinc/56/50/43/1034565043.db2.gz SQMCPLMRPDNRKC-HXUWFJFHSA-N 1 0 385.508 3.658 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc4cc(N(C)C)ccc4c3)C2)C1=O ZINC001231441116 1034590603 /nfs/dbraw/zinc/59/06/03/1034590603.db2.gz NBERPXYUIJTRRE-XMMPIXPASA-N 1 0 377.532 3.906 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)C2 ZINC001231522697 1034674051 /nfs/dbraw/zinc/67/40/51/1034674051.db2.gz RSTSYTLWEYHZSM-RBUKOAKNSA-N 1 0 385.426 3.985 20 30 GHEDRO Cc1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ncc1C#N ZINC001208085490 1034729563 /nfs/dbraw/zinc/72/95/63/1034729563.db2.gz NAOPVXJIDFFXSS-FQEVSTJZSA-N 1 0 389.503 3.686 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(NC(=O)c3cccc(C(=O)OC)c3)CC2)CC1 ZINC001208171707 1034771564 /nfs/dbraw/zinc/77/15/64/1034771564.db2.gz XUUUNKHFHBBYSB-LJQANCHMSA-N 1 0 396.531 3.970 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CCN(C(=O)c3ccsc3)C2)CC1 ZINC001231616555 1034773860 /nfs/dbraw/zinc/77/38/60/1034773860.db2.gz FDSLIICKSVZSFA-UHFFFAOYSA-N 1 0 395.528 3.757 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccc(F)cc2)CC1 ZINC001208178238 1034778099 /nfs/dbraw/zinc/77/80/99/1034778099.db2.gz OSAGPQWMJHPXLX-LJQANCHMSA-N 1 0 383.511 3.857 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(NC(=O)c3cccc(OC)c3)CC2)c1 ZINC001231624776 1034784154 /nfs/dbraw/zinc/78/41/54/1034784154.db2.gz VZKJVLXHQKHFTL-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001231624150 1034785240 /nfs/dbraw/zinc/78/52/40/1034785240.db2.gz BPEVXTKYZCTCEJ-MRXNPFEDSA-N 1 0 379.382 3.714 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001231624149 1034785442 /nfs/dbraw/zinc/78/54/42/1034785442.db2.gz BPEVXTKYZCTCEJ-INIZCTEOSA-N 1 0 379.382 3.714 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c1 ZINC001231658038 1034814662 /nfs/dbraw/zinc/81/46/62/1034814662.db2.gz XPAQHORCYSNKIK-DQEYMECFSA-N 1 0 390.527 3.959 20 30 GHEDRO N#Cc1c(F)cc(Br)cc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001160021508 1034832915 /nfs/dbraw/zinc/83/29/15/1034832915.db2.gz BRJQVMMGHAFVQF-UHFFFAOYSA-N 1 0 389.272 3.609 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001208307544 1034853914 /nfs/dbraw/zinc/85/39/14/1034853914.db2.gz DIIACSWOBNRQSP-NRFANRHFSA-N 1 0 384.545 3.748 20 30 GHEDRO COc1ccc2nc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)nc(C)c2c1 ZINC001160100968 1034860808 /nfs/dbraw/zinc/86/08/08/1034860808.db2.gz YFHYBSUZWMNUPR-UHFFFAOYSA-N 1 0 387.487 3.917 20 30 GHEDRO CC(C)Oc1nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001160106948 1034863617 /nfs/dbraw/zinc/86/36/17/1034863617.db2.gz AVFIGFSPBHNKMC-UHFFFAOYSA-N 1 0 395.463 3.747 20 30 GHEDRO COc1cc(C#N)ccc1OC1CCN(Cc2cccnc2OC(C)C)CC1 ZINC001231761653 1034894006 /nfs/dbraw/zinc/89/40/06/1034894006.db2.gz IKACFFZCIQROGI-UHFFFAOYSA-N 1 0 381.476 3.792 20 30 GHEDRO N#Cc1cc(I)c(Nc2ccc3c(c2)C[NH2+]C3)cc1F ZINC001160206382 1034901763 /nfs/dbraw/zinc/90/17/63/1034901763.db2.gz MMXNLFOWHHKOKX-UHFFFAOYSA-N 1 0 379.176 3.649 20 30 GHEDRO Cc1c(F)ccc(C[NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)c1Cl ZINC001277567286 1034911000 /nfs/dbraw/zinc/91/10/00/1034911000.db2.gz PDJQSTOLZHJQSA-UHFFFAOYSA-N 1 0 377.891 3.906 20 30 GHEDRO Cc1cc(Nc2ccc3c(c2)C[NH2+]C3)c(I)cc1C#N ZINC001160235418 1034912568 /nfs/dbraw/zinc/91/25/68/1034912568.db2.gz MKNQWUQOYSOUAO-UHFFFAOYSA-N 1 0 375.213 3.818 20 30 GHEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231819647 1034928366 /nfs/dbraw/zinc/92/83/66/1034928366.db2.gz DUMUPYWSNBWLTQ-HXUWFJFHSA-N 1 0 386.540 3.868 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001231820045 1034928507 /nfs/dbraw/zinc/92/85/07/1034928507.db2.gz KZIHPYOVPBCQLN-IBGZPJMESA-N 1 0 386.540 3.725 20 30 GHEDRO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@H](C)c1cccc2ccccc21 ZINC001208708599 1034987478 /nfs/dbraw/zinc/98/74/78/1034987478.db2.gz YONJKJQPJQJXKF-JTSKRJEESA-N 1 0 376.504 3.874 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001160526856 1034995989 /nfs/dbraw/zinc/99/59/89/1034995989.db2.gz OFUIFWLFJLBOCW-DEOSSOPVSA-N 1 0 383.495 3.987 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ncc(Br)cc1F)C2 ZINC001231986575 1035024904 /nfs/dbraw/zinc/02/49/04/1035024904.db2.gz UUVBFMLBRHOVRF-ZWKOTPCHSA-N 1 0 399.304 3.557 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cc1 ZINC001208861242 1035063650 /nfs/dbraw/zinc/06/36/50/1035063650.db2.gz GJCNDMIPEMADEO-WXFUMESZSA-N 1 0 391.515 3.582 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](CCCc3ccc(C#N)cc3)C2)c1 ZINC001208864113 1035066138 /nfs/dbraw/zinc/06/61/38/1035066138.db2.gz IQTJVKXYCFEPRZ-NRFANRHFSA-N 1 0 382.529 3.774 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001160920750 1035093715 /nfs/dbraw/zinc/09/37/15/1035093715.db2.gz RZFJRPBKMLKVTQ-ACRUOGEOSA-N 1 0 386.536 3.788 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(C#N)c(Cl)c4)C3)CC2=O)c1 ZINC001232119501 1035106887 /nfs/dbraw/zinc/10/68/87/1035106887.db2.gz DZVJBGPXLQUVFW-QFIPXVFZSA-N 1 0 390.874 3.712 20 30 GHEDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001160993752 1035114470 /nfs/dbraw/zinc/11/44/70/1035114470.db2.gz BQKBHNHLOAYJDC-PKTZIBPZSA-N 1 0 389.543 3.979 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161131877 1035152983 /nfs/dbraw/zinc/15/29/83/1035152983.db2.gz RLQPFQFLFWUYOD-UHFFFAOYSA-N 1 0 392.837 3.616 20 30 GHEDRO C#CC[N@@H+](CC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCc2ccccc21 ZINC001209066711 1035161621 /nfs/dbraw/zinc/16/16/21/1035161621.db2.gz MXZRWJNBEISXGS-PZJWPPBQSA-N 1 0 384.520 3.635 20 30 GHEDRO COc1cccc(CN2CC[C@H](NC(F)(F)c3ccc(C#N)c(Cl)n3)C2)c1 ZINC001161188200 1035171880 /nfs/dbraw/zinc/17/18/80/1035171880.db2.gz TZIRFUQECXJJGW-HNNXBMFYSA-N 1 0 392.837 3.529 20 30 GHEDRO COc1cc(C(F)(F)NCC2CC[NH+](CC3CCC3)CC2)c(C#N)c(Cl)n1 ZINC001161233314 1035186556 /nfs/dbraw/zinc/18/65/56/1035186556.db2.gz OCSBMAGAYZFKIK-UHFFFAOYSA-N 1 0 398.885 3.766 20 30 GHEDRO C=CCN(C(=O)[C@@H](c1cc2ccccc2[nH]1)N1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC001161247780 1035191899 /nfs/dbraw/zinc/19/18/99/1035191899.db2.gz JZFKRERIUVVMSL-WMZHIEFXSA-N 1 0 394.563 3.979 20 30 GHEDRO COc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)ncc1C#N ZINC001161457498 1035234922 /nfs/dbraw/zinc/23/49/22/1035234922.db2.gz OZAFYIOIUFOBDO-FGZHOGPDSA-N 1 0 399.498 3.827 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001161468308 1035237048 /nfs/dbraw/zinc/23/70/48/1035237048.db2.gz KOLWVYFYNYQCDN-QHAWAJNXSA-N 1 0 395.453 3.513 20 30 GHEDRO Cc1cnc(NC2(Cc3ccccn3)CC[NH2+]CC2)c(C#C[Si](C)(C)C)c1 ZINC001161495318 1035241440 /nfs/dbraw/zinc/24/14/40/1035241440.db2.gz ITHBAFRNIHLGPB-UHFFFAOYSA-N 1 0 378.596 3.791 20 30 GHEDRO CC(C)(C)OC(=O)NCCCCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001209376443 1035259929 /nfs/dbraw/zinc/25/99/29/1035259929.db2.gz YLMYEOLHIHWOMN-UHFFFAOYSA-N 1 0 390.503 3.514 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(C[C@H](COC)N(C(=O)c3cccn3C)C2)CC1 ZINC001209424213 1035272020 /nfs/dbraw/zinc/27/20/20/1035272020.db2.gz ODZCGGQCWQDCPZ-HXUWFJFHSA-N 1 0 387.568 3.715 20 30 GHEDRO C=CCCCCCC[N@H+]1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001209437776 1035274515 /nfs/dbraw/zinc/27/45/15/1035274515.db2.gz UCVVZMMJYAGJFX-OAQYLSRUSA-N 1 0 376.520 3.671 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@@H]2C1 ZINC001209441176 1035275206 /nfs/dbraw/zinc/27/52/06/1035275206.db2.gz IMRJRXXTAJNVSF-XPWALMASSA-N 1 0 399.579 3.951 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]2CC ZINC001209461718 1035280393 /nfs/dbraw/zinc/28/03/93/1035280393.db2.gz NEUNOFORAIBKGV-HMFYCAOWSA-N 1 0 393.572 3.711 20 30 GHEDRO CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1C ZINC001209612950 1035331214 /nfs/dbraw/zinc/33/12/14/1035331214.db2.gz GATLRPAFRFUYQO-LJQANCHMSA-N 1 0 381.476 3.723 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(F)c(C(F)(F)F)c2)no1 ZINC001248180276 1035608150 /nfs/dbraw/zinc/60/81/50/1035608150.db2.gz TYZYEPJZVJIPMD-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO C=CCOc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(F)c(F)c3)n2)c(F)c1 ZINC001248186924 1035614706 /nfs/dbraw/zinc/61/47/06/1035614706.db2.gz GDJTYRXXRSDOQZ-CYBMUJFWSA-N 1 0 389.377 3.831 20 30 GHEDRO CC(C)[C@@H](C#N)c1ccc(-c2ccc(NCCN3CC[NH+](C)CC3)nc2)cc1 ZINC001241565779 1035623496 /nfs/dbraw/zinc/62/34/96/1035623496.db2.gz LEUXRFABKIPIGC-JOCHJYFZSA-N 1 0 377.536 3.671 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001462017641 1069948502 /nfs/dbraw/zinc/94/85/02/1069948502.db2.gz JCSNFZPFODUKAR-UHFFFAOYSA-N 1 0 391.515 3.538 20 30 GHEDRO COc1c(Br)cc(F)cc1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001243233901 1036069858 /nfs/dbraw/zinc/06/98/58/1036069858.db2.gz ZOQPDBSHYOHDJZ-UHFFFAOYSA-N 1 0 376.229 3.566 20 30 GHEDRO N#Cc1c2c(cnc1-c1ccc(C(=O)N3CCCC3)cc1Cl)C[NH2+]CCC2 ZINC001243461622 1036156042 /nfs/dbraw/zinc/15/60/42/1036156042.db2.gz JFTOFDOIRYPIOD-UHFFFAOYSA-N 1 0 380.879 3.545 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@H](CO)C2)nc1C1=CC[C@@H](C#N)CC1 ZINC001243794095 1036282581 /nfs/dbraw/zinc/28/25/81/1036282581.db2.gz CJVRBHGWUSDPCA-SJORKVTESA-N 1 0 396.535 3.587 20 30 GHEDRO CCCN(CCC)C(=O)c1cccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)c1 ZINC001244211295 1036431363 /nfs/dbraw/zinc/43/13/63/1036431363.db2.gz YVJDWBXAULZUAM-UHFFFAOYSA-N 1 0 376.504 3.918 20 30 GHEDRO Cc1ccc(C[N@H+]2C[C@H]3CN(C(=S)Nc4ccc(C#N)cc4)C[C@H]3C2)cc1 ZINC001245890248 1037043656 /nfs/dbraw/zinc/04/36/56/1037043656.db2.gz KKDDLPNLFFZDDP-BGYRXZFFSA-N 1 0 376.529 3.627 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001245938842 1037067364 /nfs/dbraw/zinc/06/73/64/1037067364.db2.gz ZEUVCMFYQQRSQD-CEWLAPEOSA-N 1 0 376.529 3.755 20 30 GHEDRO COc1ccc(CC[NH+]2CCC(NC(=S)Nc3ccc(C#N)cc3)CC2)cc1 ZINC001245951654 1037076692 /nfs/dbraw/zinc/07/66/92/1037076692.db2.gz YPTOTYUFLSJPLC-UHFFFAOYSA-N 1 0 394.544 3.560 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC2(C1)CCC[NH2+]2 ZINC001246031370 1037146873 /nfs/dbraw/zinc/14/68/73/1037146873.db2.gz HXHHZXWJYHXTDE-JOCHJYFZSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246033554 1037150177 /nfs/dbraw/zinc/15/01/77/1037150177.db2.gz NRRXFKLMIZTTKI-VABKMULXSA-N 1 0 398.632 3.595 20 30 GHEDRO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246303119 1037285132 /nfs/dbraw/zinc/28/51/32/1037285132.db2.gz GZXWUTYCWVEKOA-MBSDFSHPSA-N 1 0 398.547 3.986 20 30 GHEDRO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246303028 1037285492 /nfs/dbraw/zinc/28/54/92/1037285492.db2.gz GMLFXYJLUINJMS-YJBOKZPZSA-N 1 0 385.335 3.667 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])N[C@H](C)Cc2ccccc2Br)cc1 ZINC001246306832 1037286714 /nfs/dbraw/zinc/28/67/14/1037286714.db2.gz ZGWRNHMDGOQVSG-GFCCVEGCSA-N 1 0 375.266 3.572 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN(C1C[C@@H](CC)[NH2+][C@H](CC)C1)CC2 ZINC001246526548 1037458996 /nfs/dbraw/zinc/45/89/96/1037458996.db2.gz PADNLEZWHDEEEN-RTBURBONSA-N 1 0 377.573 3.796 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCN[C@H](c3ccccc3)C1)CC2 ZINC001246527197 1037461982 /nfs/dbraw/zinc/46/19/82/1037461982.db2.gz SQEKXBAQRPWCSX-YADHBBJMSA-N 1 0 397.563 3.980 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)N1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001246804313 1037638138 /nfs/dbraw/zinc/63/81/38/1037638138.db2.gz GDPBMMWPLXVDEE-FOIQADDNSA-N 1 0 384.321 3.898 20 30 GHEDRO CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC001462205904 1070082798 /nfs/dbraw/zinc/08/27/98/1070082798.db2.gz RQXNXQQQOMTLJQ-UHFFFAOYSA-N 1 0 375.513 3.988 20 30 GHEDRO CCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(C)n1 ZINC001232310925 1038068967 /nfs/dbraw/zinc/06/89/67/1038068967.db2.gz QABRENGFQYHJCZ-UHFFFAOYSA-N 1 0 381.476 3.712 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455677 1038239600 /nfs/dbraw/zinc/23/96/00/1038239600.db2.gz DVIZBAOXBJVJFW-FQEVSTJZSA-N 1 0 388.899 3.827 20 30 GHEDRO N#Cc1ccnc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c1 ZINC001232479682 1038261376 /nfs/dbraw/zinc/26/13/76/1038261376.db2.gz ZFRVFMOGPAZQPB-QFIPXVFZSA-N 1 0 386.499 3.529 20 30 GHEDRO COc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001232498799 1038273079 /nfs/dbraw/zinc/27/30/79/1038273079.db2.gz FVGHBQCFJQAUJG-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCCNC(=S)N1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001247613143 1038276172 /nfs/dbraw/zinc/27/61/72/1038276172.db2.gz LKPWDTJZXFWVHX-UHFFFAOYSA-N 1 0 387.593 3.824 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)C2 ZINC001232578779 1038347160 /nfs/dbraw/zinc/34/71/60/1038347160.db2.gz TXJKYKXGIUTDDT-TZIWHRDSSA-N 1 0 393.911 3.700 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3SC)C2)C1=O ZINC001277688338 1038388337 /nfs/dbraw/zinc/38/83/37/1038388337.db2.gz JSOZBOWHSPCKTI-HXUWFJFHSA-N 1 0 392.952 3.979 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cncc4cnccc43)C2)CC1 ZINC001232648260 1038435464 /nfs/dbraw/zinc/43/54/64/1038435464.db2.gz ZALVGTKKGAVLAW-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@H]4CC[C@]5(C4)C[NH2+]CCO5)n3)cc2)cc1 ZINC001247916848 1038491795 /nfs/dbraw/zinc/49/17/95/1038491795.db2.gz LHOGSCBOBAJFST-REWPJTCUSA-N 1 0 386.455 3.901 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](Cc2c[nH]c3cc(Br)ncc23)CC1 ZINC001232860172 1038611205 /nfs/dbraw/zinc/61/12/05/1038611205.db2.gz YMMJUEYMZUXYQR-UHFFFAOYSA-N 1 0 396.292 3.519 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1=O ZINC001232891068 1038680161 /nfs/dbraw/zinc/68/01/61/1038680161.db2.gz VWVBXUGIVQBUDS-HSZRJFAPSA-N 1 0 377.463 3.844 20 30 GHEDRO N#Cc1cc(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232894388 1038684675 /nfs/dbraw/zinc/68/46/75/1038684675.db2.gz ZALKWSOVPOYKPB-KBPBESRZSA-N 1 0 395.194 3.548 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c(C#N)c1 ZINC001232965210 1038738409 /nfs/dbraw/zinc/73/84/09/1038738409.db2.gz QMBCJCKOENUTAD-RUZDIDTESA-N 1 0 387.527 3.924 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](CF)[C@@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001233079568 1038845932 /nfs/dbraw/zinc/84/59/32/1038845932.db2.gz IDCOMSRPMHLALZ-OALUTQOASA-N 1 0 387.499 3.942 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001233082147 1038856159 /nfs/dbraw/zinc/85/61/59/1038856159.db2.gz ANMZZXOKQKNOFN-UHFFFAOYSA-N 1 0 381.277 3.876 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC001252128093 1038881506 /nfs/dbraw/zinc/88/15/06/1038881506.db2.gz IMAVGWCFZWHUOJ-LEWJYISDSA-N 1 0 387.568 3.631 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1C#N ZINC001233102662 1038884490 /nfs/dbraw/zinc/88/44/90/1038884490.db2.gz IZKKWOLJNBEYAJ-CTNGQTDRSA-N 1 0 392.522 3.717 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001252137425 1038887388 /nfs/dbraw/zinc/88/73/88/1038887388.db2.gz YBTMWBGDFGSINI-IYWMVGAKSA-N 1 0 398.588 3.569 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001252136657 1038888428 /nfs/dbraw/zinc/88/84/28/1038888428.db2.gz SQWQICYTAOSOOF-RTBURBONSA-N 1 0 398.588 3.714 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C2CCOCC2)CC1 ZINC001252138668 1038889808 /nfs/dbraw/zinc/88/98/08/1038889808.db2.gz FMWFPTXIXHHSLN-ACRUOGEOSA-N 1 0 382.589 3.542 20 30 GHEDRO C=CCOC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC001252491119 1039003822 /nfs/dbraw/zinc/00/38/22/1039003822.db2.gz OQJXCTDFVFZFOR-MOPGFXCFSA-N 1 0 376.294 3.692 20 30 GHEDRO C=C[C@@](C)(O)C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252557822 1039031043 /nfs/dbraw/zinc/03/10/43/1039031043.db2.gz PWHMYXLQLRZVPJ-WOIUINJBSA-N 1 0 389.540 3.657 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001252603755 1039045259 /nfs/dbraw/zinc/04/52/59/1039045259.db2.gz GVWHOTHJODVRET-FQEVSTJZSA-N 1 0 377.488 3.944 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC001233288198 1039069443 /nfs/dbraw/zinc/06/94/43/1039069443.db2.gz BLHVOPGHAPCMHW-FQEVSTJZSA-N 1 0 378.900 3.587 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233295493 1039084388 /nfs/dbraw/zinc/08/43/88/1039084388.db2.gz CODRWBPFDGNLJC-UHFFFAOYSA-N 1 0 377.419 3.842 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(/C=C/C(=O)OC)cc1)[C@H]2CC ZINC001233297220 1039087671 /nfs/dbraw/zinc/08/76/71/1039087671.db2.gz RBBWGTCVUPXVNY-AOERKCTMSA-N 1 0 396.531 3.794 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252932462 1039271248 /nfs/dbraw/zinc/27/12/48/1039271248.db2.gz SIOFDJZLHGQXQH-JOCHJYFZSA-N 1 0 383.923 3.693 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cn3cccc(Cl)c3n1)C2 ZINC001233421173 1039286389 /nfs/dbraw/zinc/28/63/89/1039286389.db2.gz LVWSBUINASFDTM-QUCCMNQESA-N 1 0 375.900 3.561 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1 ZINC001233505795 1039397241 /nfs/dbraw/zinc/39/72/41/1039397241.db2.gz GUDBHIPTITVJFD-CQSZACIVSA-N 1 0 397.822 3.649 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)OCCN2C(=O)OC(C)(C)C ZINC001253234541 1039487800 /nfs/dbraw/zinc/48/78/00/1039487800.db2.gz BRSBCTQILKHASM-AABGKKOBSA-N 1 0 396.572 3.584 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001253236664 1039491450 /nfs/dbraw/zinc/49/14/50/1039491450.db2.gz FCWBEQOXYPWVJB-QFIPXVFZSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001253236186 1039491699 /nfs/dbraw/zinc/49/16/99/1039491699.db2.gz AQTCDQIFLPYMKW-VWNXMTODSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCOC[C@@H]2NC(=O)C(C)C)CC1 ZINC001253237880 1039494338 /nfs/dbraw/zinc/49/43/38/1039494338.db2.gz NZYIKHRXBVAYMG-SFTDATJTSA-N 1 0 394.600 3.517 20 30 GHEDRO COC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C#N)c1 ZINC001233633076 1039497625 /nfs/dbraw/zinc/49/76/25/1039497625.db2.gz WDLNXPTXJFVBQR-AERCQKQUSA-N 1 0 376.456 3.919 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001253241650 1039498708 /nfs/dbraw/zinc/49/87/08/1039498708.db2.gz YPSREBMVJZWYKC-DLBZAZTESA-N 1 0 398.345 3.580 20 30 GHEDRO COC(=O)C[C@@H]1CCc2cc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc21 ZINC001233780997 1039613087 /nfs/dbraw/zinc/61/30/87/1039613087.db2.gz QKOXFWKANNEOIS-PGRDOPGGSA-N 1 0 390.483 3.804 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+][C@@H]2CCc3c2cccc3C#N)cc1 ZINC001253433660 1039634540 /nfs/dbraw/zinc/63/45/40/1039634540.db2.gz HHSMYMAAXPCBDQ-DENIHFKCSA-N 1 0 392.499 3.651 20 30 GHEDRO C[NH+]1CCC(C#N)(NC[C@@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)CC1 ZINC001253498666 1039679676 /nfs/dbraw/zinc/67/96/76/1039679676.db2.gz IGTHLIRDLIPFOT-NRFANRHFSA-N 1 0 377.960 3.627 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588242 1039710601 /nfs/dbraw/zinc/71/06/01/1039710601.db2.gz UOYYZKRYJXFBKV-MOPGFXCFSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253588434 1039710798 /nfs/dbraw/zinc/71/07/98/1039710798.db2.gz VYMCPSLZLCFHEO-FQEVSTJZSA-N 1 0 392.515 3.822 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1ccccc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588662 1039711039 /nfs/dbraw/zinc/71/10/39/1039711039.db2.gz ZJNODYDOUHROBO-QZTJIDSGSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001253610165 1039719655 /nfs/dbraw/zinc/71/96/55/1039719655.db2.gz BHHPIVZKTVXMPW-ZFWWWQNUSA-N 1 0 397.313 3.772 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1cnccn1 ZINC001253614086 1039722862 /nfs/dbraw/zinc/72/28/62/1039722862.db2.gz IYLQIYDCURWXPL-JOCHJYFZSA-N 1 0 395.588 3.881 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@@H](O)CC ZINC001253614882 1039724513 /nfs/dbraw/zinc/72/45/13/1039724513.db2.gz WXKYBOHPDMOZIG-LEWJYISDSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1ccnn1C ZINC001253616337 1039728681 /nfs/dbraw/zinc/72/86/81/1039728681.db2.gz SESWVSKYFDFKDT-JOCHJYFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC001462424153 1070243695 /nfs/dbraw/zinc/24/36/95/1070243695.db2.gz CYBUEKSUSOFGLF-SFHVURJKSA-N 1 0 384.524 3.812 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001277841452 1039936515 /nfs/dbraw/zinc/93/65/15/1039936515.db2.gz UEHVRBKWNPMLHW-FUHWJXTLSA-N 1 0 376.463 3.503 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1=O ZINC001254252233 1040100011 /nfs/dbraw/zinc/10/00/11/1040100011.db2.gz BXNPCEAKKNMJHS-IBGZPJMESA-N 1 0 383.492 3.664 20 30 GHEDRO N#Cc1ccc2nc(=O)[nH]c(O[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2c1 ZINC001234530984 1040103326 /nfs/dbraw/zinc/10/33/26/1040103326.db2.gz QCQQLSDPRXPCMM-BWTSREIZSA-N 1 0 386.455 3.781 20 30 GHEDRO COc1ccc(OC[C@@H](O)C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)cc1 ZINC001254346961 1040180593 /nfs/dbraw/zinc/18/05/93/1040180593.db2.gz VSCPPCIKXPDZDB-KQVJYAISSA-N 1 0 398.478 3.568 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254346632 1040180658 /nfs/dbraw/zinc/18/06/58/1040180658.db2.gz SQQODQIABGACHX-XERBYJISSA-N 1 0 391.490 3.920 20 30 GHEDRO COC(=O)C[C@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1cccnc1 ZINC001254348572 1040182072 /nfs/dbraw/zinc/18/20/72/1040182072.db2.gz SIBURCVZIRLGEN-FUHYEJFZSA-N 1 0 381.451 3.819 20 30 GHEDRO CC(C)(C)OC(=O)NCC1C[NH+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254354539 1040186459 /nfs/dbraw/zinc/18/64/59/1040186459.db2.gz SKWDDUBHNQVCLT-UHFFFAOYSA-N 1 0 387.499 3.986 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(NC(=O)C3CCC3)CC2)CC1 ZINC001254355413 1040187909 /nfs/dbraw/zinc/18/79/09/1040187909.db2.gz GATPRDKZKCMORY-UHFFFAOYSA-N 1 0 383.511 3.910 20 30 GHEDRO CCN1c2ccc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)cc2C(C)(C)C1=O ZINC001234898375 1040411123 /nfs/dbraw/zinc/41/11/23/1040411123.db2.gz DDZFDYBMTKFHIL-HXUWFJFHSA-N 1 0 389.499 3.856 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)c2ccc(O[C@@H](C)c3ccccc3C#N)cc2)CC1 ZINC001234900649 1040415162 /nfs/dbraw/zinc/41/51/62/1040415162.db2.gz GJPVWWQSPHNGIM-SFHVURJKSA-N 1 0 377.488 3.864 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC001254652228 1040419643 /nfs/dbraw/zinc/41/96/43/1040419643.db2.gz BGWREPUNEUISIF-IKGGRYGDSA-N 1 0 395.544 3.674 20 30 GHEDRO COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254659275 1040422887 /nfs/dbraw/zinc/42/28/87/1040422887.db2.gz NAIYVXOMTFXCSX-WMLDXEAASA-N 1 0 381.501 3.690 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)C1 ZINC001254662805 1040425152 /nfs/dbraw/zinc/42/51/52/1040425152.db2.gz LFWPPJYTTNIIGD-YLJYHZDGSA-N 1 0 391.494 3.662 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([N@@H+]3CCC[C@H](C#N)CC3)CC2)C1 ZINC001254726989 1040485062 /nfs/dbraw/zinc/48/50/62/1040485062.db2.gz NVAFFUKTSKSCOR-XPQZIERPSA-N 1 0 377.529 3.561 20 30 GHEDRO C=CCCC[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001254753791 1040515114 /nfs/dbraw/zinc/51/51/14/1040515114.db2.gz DYOSMVZCUPXJTB-IFMALSPDSA-N 1 0 385.552 3.838 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001255215388 1040910122 /nfs/dbraw/zinc/91/01/22/1040910122.db2.gz WRJUAZMQALVYTG-IYWMVGAKSA-N 1 0 383.492 3.553 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(CCC[NH2+]C1CCCCC1)CC2 ZINC001235491596 1040960339 /nfs/dbraw/zinc/96/03/39/1040960339.db2.gz CCKYKVQAIWGZEL-UHFFFAOYSA-N 1 0 386.584 3.666 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001235513041 1040969320 /nfs/dbraw/zinc/96/93/20/1040969320.db2.gz DSOIZWMOBKCBSC-JOCHJYFZSA-N 1 0 379.529 3.942 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001235516097 1040971291 /nfs/dbraw/zinc/97/12/91/1040971291.db2.gz QYZMRIXVOXTXSM-UHFFFAOYSA-N 1 0 385.305 3.999 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001235519258 1040973121 /nfs/dbraw/zinc/97/31/21/1040973121.db2.gz SGNALHVOZBRRQC-QFIPXVFZSA-N 1 0 381.426 3.660 20 30 GHEDRO N#Cc1cn(Cc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)c2ccccc12 ZINC001255418930 1041012622 /nfs/dbraw/zinc/01/26/22/1041012622.db2.gz DJQJGMSWGPXANF-SFHVURJKSA-N 1 0 383.455 3.934 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)CC2 ZINC001235665775 1041118059 /nfs/dbraw/zinc/11/80/59/1041118059.db2.gz MEBQOXOSSLSKQA-LJQANCHMSA-N 1 0 398.425 3.824 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)cc(C#N)c21 ZINC001255671979 1041204075 /nfs/dbraw/zinc/20/40/75/1041204075.db2.gz SQQSDUKBWDXLQM-JDXMOABCSA-N 1 0 378.520 3.709 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCc3cccc(Br)c3C2)C1 ZINC001256138237 1041575144 /nfs/dbraw/zinc/57/51/44/1041575144.db2.gz BATUCQWGXHKMFO-HOTGVXAUSA-N 1 0 393.325 3.683 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4C[NH2+][C@@H]4C3)c2)cc1 ZINC001236290111 1041660947 /nfs/dbraw/zinc/66/09/47/1041660947.db2.gz SZPZFRSSLCMSPQ-DNVCBOLYSA-N 1 0 384.277 3.517 20 30 GHEDRO C[C@H](CC(=O)N1CCOCC1)[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001256350318 1041708362 /nfs/dbraw/zinc/70/83/62/1041708362.db2.gz UCAVAVUSNXANMW-UXHICEINSA-N 1 0 391.515 3.759 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236783832 1041889215 /nfs/dbraw/zinc/88/92/15/1041889215.db2.gz WUGALGXQNBKFKK-FQEVSTJZSA-N 1 0 396.487 3.848 20 30 GHEDRO N#Cc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)cc1Br ZINC001236863300 1041932909 /nfs/dbraw/zinc/93/29/09/1041932909.db2.gz HVOLJMGPMUWXPV-UHFFFAOYSA-N 1 0 384.321 3.681 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(-n3ccnc3)cc1Cl)CC2 ZINC001236915227 1041955608 /nfs/dbraw/zinc/95/56/08/1041955608.db2.gz DIOZHSVIIJKLFK-UHFFFAOYSA-N 1 0 384.911 3.669 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2c1cccc2C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001236974378 1041974120 /nfs/dbraw/zinc/97/41/20/1041974120.db2.gz KCUSKTLHTUGSQU-GOSISDBHSA-N 1 0 386.517 3.758 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237111491 1042044429 /nfs/dbraw/zinc/04/44/29/1042044429.db2.gz PQKGYHBPJLCEFL-KSSFIOAISA-N 1 0 387.398 3.617 20 30 GHEDRO N#Cc1ccc(CN2Cc3ccccc3C23CC[NH2+]CC3)cc1Br ZINC001237310389 1042138850 /nfs/dbraw/zinc/13/88/50/1042138850.db2.gz IMANJZZKJWWBFT-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4cn(C)c5ccc(C#N)cc45)C3)CC2=O)cc1 ZINC001237468186 1042220941 /nfs/dbraw/zinc/22/09/41/1042220941.db2.gz IKLBREGLSGGXFB-VWLOTQADSA-N 1 0 398.510 3.987 20 30 GHEDRO Cc1nc(CN2CCC3(C[NH+](Cc4cn(C)c5ccc(C#N)cc45)C3)C2)cs1 ZINC001237470300 1042222102 /nfs/dbraw/zinc/22/21/02/1042222102.db2.gz VCKBCTWVFCJBCD-UHFFFAOYSA-N 1 0 391.544 3.523 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)c2cc(C#N)ccc21 ZINC001237473762 1042224817 /nfs/dbraw/zinc/22/48/17/1042224817.db2.gz UKNOFZAWOZXTPA-SFHVURJKSA-N 1 0 382.508 3.929 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3ncnc(Cl)c3c1)C2 ZINC001237576265 1042269136 /nfs/dbraw/zinc/26/91/36/1042269136.db2.gz JXHQZXVSJWJFOX-FPOVZHCZSA-N 1 0 387.911 3.857 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCC)cc3F)C2)C1 ZINC001237627441 1042293307 /nfs/dbraw/zinc/29/33/07/1042293307.db2.gz QJPYPSFZIAIZSM-NRFANRHFSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(-c3ccccn3)n1)C2 ZINC001237834901 1042393305 /nfs/dbraw/zinc/39/33/05/1042393305.db2.gz TUVWSISDMQSSSM-PKTZIBPZSA-N 1 0 379.504 3.717 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001238002562 1042453926 /nfs/dbraw/zinc/45/39/26/1042453926.db2.gz FQOKOISLHHBVEE-UHFFFAOYSA-N 1 0 376.504 3.987 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]2C1 ZINC001238087285 1042486932 /nfs/dbraw/zinc/48/69/32/1042486932.db2.gz YHHDSLJNMNHEAI-NVXWUHKLSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)ccc1Cl ZINC001238192345 1042515317 /nfs/dbraw/zinc/51/53/17/1042515317.db2.gz RHFBVMBKJSANTF-IBGZPJMESA-N 1 0 383.879 3.809 20 30 GHEDRO CC[N@@H+](Cc1ccc(Cl)c(C#N)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001238195353 1042516082 /nfs/dbraw/zinc/51/60/82/1042516082.db2.gz FUGVMUYOXASALP-NRFANRHFSA-N 1 0 383.923 3.935 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccc(Cl)c(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001238194619 1042516125 /nfs/dbraw/zinc/51/61/25/1042516125.db2.gz QIARRXASBMBYHU-PZJWPPBQSA-N 1 0 381.907 3.858 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ccc1C#N ZINC001238407389 1042586824 /nfs/dbraw/zinc/58/68/24/1042586824.db2.gz NYECGGCTVQVXKT-QHCPKHFHSA-N 1 0 379.479 3.946 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(F)c(OC(C)C)c1)CC2 ZINC001238591088 1042650271 /nfs/dbraw/zinc/65/02/71/1042650271.db2.gz HXWFEAMTZNNGQL-NRFANRHFSA-N 1 0 375.488 3.541 20 30 GHEDRO CCc1cc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1C#N ZINC001238762268 1042718049 /nfs/dbraw/zinc/71/80/49/1042718049.db2.gz IXBKOGYVIXIIGX-GGAORHGYSA-N 1 0 379.479 3.597 20 30 GHEDRO CCc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)ccc1C#N ZINC001238773416 1042722307 /nfs/dbraw/zinc/72/23/07/1042722307.db2.gz YKVYBFDWJJJJKE-UHFFFAOYSA-N 1 0 392.503 3.915 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)ccc1C#N ZINC001238776822 1042723895 /nfs/dbraw/zinc/72/38/95/1042723895.db2.gz WHAGTYPCSTYACF-JOCHJYFZSA-N 1 0 394.544 3.510 20 30 GHEDRO N#Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1N1CC[NH2+]CC1 ZINC001239190288 1042782883 /nfs/dbraw/zinc/78/28/83/1042782883.db2.gz ITEXUMHUVFZKRK-UHFFFAOYSA-N 1 0 389.381 3.631 20 30 GHEDRO CCCCCCCNC(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001239230749 1042791262 /nfs/dbraw/zinc/79/12/62/1042791262.db2.gz UEMVGHXWLDRUPL-VQTJNVASSA-N 1 0 389.540 3.715 20 30 GHEDRO CCCCCCCCNC(=O)NCC1(c2ccccc2OC)CC[NH2+]CC1 ZINC001239246188 1042795882 /nfs/dbraw/zinc/79/58/82/1042795882.db2.gz IUOYJOVWTUTMLJ-UHFFFAOYSA-N 1 0 375.557 3.976 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1C(F)(F)F ZINC001239361052 1042812895 /nfs/dbraw/zinc/81/28/95/1042812895.db2.gz KXIWADMONGSHKM-CQSZACIVSA-N 1 0 382.455 3.786 20 30 GHEDRO CCCCCCCCCNC(=S)N[C@@H](CC(=O)OCC)C1CC[NH2+]CC1 ZINC001239372580 1042815455 /nfs/dbraw/zinc/81/54/55/1042815455.db2.gz FMFNFQIGGXBXPA-SFHVURJKSA-N 1 0 385.618 3.523 20 30 GHEDRO F[C@H]1CC[NH2+]C[C@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239397059 1042822778 /nfs/dbraw/zinc/82/27/78/1042822778.db2.gz GFPBBLCKBBNKBC-WDEREUQCSA-N 1 0 389.340 3.711 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-c3cccc(CN4CC[NH2+]CC4)c3)nn2)cc1 ZINC001240226624 1042909926 /nfs/dbraw/zinc/90/99/26/1042909926.db2.gz RHXOTBZBESQAPG-QFIPXVFZSA-N 1 0 383.499 3.513 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3ncc(C#N)c4oc(C(C)(C)C)nc43)cc2)CC1 ZINC001240850725 1042958522 /nfs/dbraw/zinc/95/85/22/1042958522.db2.gz VRBQTTOATRYWMP-UHFFFAOYSA-N 1 0 375.476 3.811 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001291113484 1043085878 /nfs/dbraw/zinc/08/58/78/1043085878.db2.gz GDIVVJOQUCOZPR-IBGZPJMESA-N 1 0 392.551 3.929 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001291429520 1043249188 /nfs/dbraw/zinc/24/91/88/1043249188.db2.gz LWOCAGXXHREGKK-FUHWJXTLSA-N 1 0 395.555 3.882 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535308 1043475674 /nfs/dbraw/zinc/47/56/74/1043475674.db2.gz FAACQWLAPAQWCI-DENIHFKCSA-N 1 0 385.552 3.664 20 30 GHEDRO C=CCOc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)c1 ZINC001292038519 1043573689 /nfs/dbraw/zinc/57/36/89/1043573689.db2.gz HEOSQBBXMRKXTL-VWNXMTODSA-N 1 0 392.499 3.729 20 30 GHEDRO COc1cccc2c1CC[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC001256635096 1043586033 /nfs/dbraw/zinc/58/60/33/1043586033.db2.gz OXQKJURYKDFKBQ-QFIPXVFZSA-N 1 0 375.516 3.678 20 30 GHEDRO CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C1)[NH+]1CCCC1 ZINC001292195779 1043622347 /nfs/dbraw/zinc/62/23/47/1043622347.db2.gz NPMMRWGGNLXXIV-YLJYHZDGSA-N 1 0 378.524 3.537 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256793590 1043655493 /nfs/dbraw/zinc/65/54/93/1043655493.db2.gz CHOOPZDVGAZOSO-JTHBVZDNSA-N 1 0 389.499 3.673 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN([C@H]3CCC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001256911328 1043736548 /nfs/dbraw/zinc/73/65/48/1043736548.db2.gz LSNPZNQJHREYCR-UNMCSNQZSA-N 1 0 375.557 3.504 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CCC#N)CC2)C[C@H]1c1ccccc1 ZINC001256947163 1043766708 /nfs/dbraw/zinc/76/67/08/1043766708.db2.gz FIKODHWFINJVKA-SFTDATJTSA-N 1 0 398.551 3.658 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@H](C[NH2+]C3CCC(C#N)CC3)OC2)CC1 ZINC001256951140 1043769563 /nfs/dbraw/zinc/76/95/63/1043769563.db2.gz YFWLHENQNPBLKD-CTWPCTMYSA-N 1 0 391.556 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](C[NH2+]C2CCC(C#N)CC2)(C(F)(F)F)C1 ZINC001256950903 1043770271 /nfs/dbraw/zinc/77/02/71/1043770271.db2.gz QAQAODUAFWYGDZ-MQBCKMQZSA-N 1 0 375.435 3.848 20 30 GHEDRO COc1ccc(OC[C@@H](O)C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001257009618 1043796868 /nfs/dbraw/zinc/79/68/68/1043796868.db2.gz NHJAIIAVLMNBBS-CBNMVNINSA-N 1 0 380.488 3.623 20 30 GHEDRO COC[C@H](C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC001257010990 1043798148 /nfs/dbraw/zinc/79/81/48/1043798148.db2.gz PIQPGDVVGYKPEI-MHJFOBGBSA-N 1 0 387.524 3.714 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](CO)([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257012206 1043798673 /nfs/dbraw/zinc/79/86/73/1043798673.db2.gz AOEKMZDOTOHXHM-YABDQXBESA-N 1 0 399.535 3.546 20 30 GHEDRO N#Cc1ccc(C2CCC([N@H+]3CC4CC3(C(=O)NCc3ccco3)C4)CC2)cc1 ZINC001257020030 1043805374 /nfs/dbraw/zinc/80/53/74/1043805374.db2.gz QYBGDRAWIIIKAT-UHFFFAOYSA-N 1 0 389.499 3.958 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001292632803 1043810806 /nfs/dbraw/zinc/81/08/06/1043810806.db2.gz SLIGDLWZIGBLIB-JOCHJYFZSA-N 1 0 397.950 3.691 20 30 GHEDRO CC[C@H]1C[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257130663 1043879282 /nfs/dbraw/zinc/87/92/82/1043879282.db2.gz VYQHRLLZLHPUPE-VQTJNVASSA-N 1 0 398.551 3.858 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](C)Cc1ccc(C(=O)OCC)cc1)CC2 ZINC001257161977 1043907683 /nfs/dbraw/zinc/90/76/83/1043907683.db2.gz JDHYKDKZMUDUDQ-NTKDMRAZSA-N 1 0 398.547 3.827 20 30 GHEDRO O=C(CC#Cc1ccccc1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462769517 1070533964 /nfs/dbraw/zinc/53/39/64/1070533964.db2.gz KMIMJXLMLQDBBQ-WOJBJXKFSA-N 1 0 386.417 3.607 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C)c(C#N)c(C)c1 ZINC001293283771 1044092383 /nfs/dbraw/zinc/09/23/83/1044092383.db2.gz PBEGSFPNQBURMH-OAQYLSRUSA-N 1 0 376.504 3.697 20 30 GHEDRO C=CCN1CC[NH+](C2CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001257772027 1044163494 /nfs/dbraw/zinc/16/34/94/1044163494.db2.gz ZSCMDZGLXWVMPU-UHFFFAOYSA-N 1 0 377.573 3.750 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](C3CCC(OCc4ccccc4)CC3)CC2)nc1 ZINC001257834332 1044211275 /nfs/dbraw/zinc/21/12/75/1044211275.db2.gz QCWAMXABRKLRSN-UHFFFAOYSA-N 1 0 390.531 3.993 20 30 GHEDRO C=C1C[C@@H]2CC(N(c3c(F)cc([C@@H](C)[NH3+])cc3F)S(C)(=O)=O)C[C@H](C1)C2 ZINC001257889851 1044246340 /nfs/dbraw/zinc/24/63/40/1044246340.db2.gz LDJJJQVBNVPURS-GODZRQRCSA-N 1 0 384.492 3.885 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCCn4nnc(COc5cccnc5)c4C3)C[C@H](C1)C2 ZINC001257891461 1044247165 /nfs/dbraw/zinc/24/71/65/1044247165.db2.gz JYVHUIRYKKNBRH-DFNIBXOVSA-N 1 0 379.508 3.593 20 30 GHEDRO CCC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001293882986 1044360057 /nfs/dbraw/zinc/36/00/57/1044360057.db2.gz OOXNYHPWYHCEOB-LJQANCHMSA-N 1 0 392.551 3.951 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1 ZINC001294217483 1044530360 /nfs/dbraw/zinc/53/03/60/1044530360.db2.gz JJBSWJJIYFEZLD-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2)C1 ZINC001294221200 1044532526 /nfs/dbraw/zinc/53/25/26/1044532526.db2.gz XESGPOQNKSBBFI-AWEZNQCLSA-N 1 0 384.867 3.580 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCN(c3cccc(F)c3)CC1)C2 ZINC001258421208 1044554030 /nfs/dbraw/zinc/55/40/30/1044554030.db2.gz CNGGAQNMAUETAK-DHIUTWEWSA-N 1 0 388.527 3.868 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001294301793 1044574343 /nfs/dbraw/zinc/57/43/43/1044574343.db2.gz GLCRRORYPVUGTG-UHFFFAOYSA-N 1 0 380.454 3.931 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258547538 1044624537 /nfs/dbraw/zinc/62/45/37/1044624537.db2.gz QEQCFUOWIJVGPW-MRXNPFEDSA-N 1 0 377.916 3.685 20 30 GHEDRO CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001294481057 1044655550 /nfs/dbraw/zinc/65/55/50/1044655550.db2.gz HQTNLPKZUXURMM-HXUWFJFHSA-N 1 0 380.540 3.927 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](C3CCN(C(=O)c4ccccc4)CC3)C2)cc1 ZINC001258648265 1044688448 /nfs/dbraw/zinc/68/84/48/1044688448.db2.gz SVJPORKWUQLENE-QHCPKHFHSA-N 1 0 389.499 3.706 20 30 GHEDRO C=CCC[C@@H](C)[NH+]1CCN([C@@H](c2ccccc2)c2nc(OC)cc(OC)n2)CC1 ZINC001258730938 1044735136 /nfs/dbraw/zinc/73/51/36/1044735136.db2.gz RBAXARRFGUATIC-GCJKJVERSA-N 1 0 396.535 3.556 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@@H](C)C#N ZINC001294709458 1044772195 /nfs/dbraw/zinc/77/21/95/1044772195.db2.gz MHNCIZDUKOTJOE-AZUAARDMSA-N 1 0 386.588 3.871 20 30 GHEDRO CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001295279943 1044973258 /nfs/dbraw/zinc/97/32/58/1044973258.db2.gz XAYZLNDGAMKKOO-FQEVSTJZSA-N 1 0 380.540 3.783 20 30 GHEDRO CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001295702421 1045108403 /nfs/dbraw/zinc/10/84/03/1045108403.db2.gz NDCJBPKOOYLKRE-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)C1 ZINC001296035047 1045227994 /nfs/dbraw/zinc/22/79/94/1045227994.db2.gz AEPLHPIIHYSCIR-WSTZPKSXSA-N 1 0 392.551 3.641 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)cc1 ZINC001296189863 1045278375 /nfs/dbraw/zinc/27/83/75/1045278375.db2.gz OROVXFOMRZHAMQ-QFIPXVFZSA-N 1 0 378.516 3.917 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Br)cc1 ZINC001298538588 1045861070 /nfs/dbraw/zinc/86/10/70/1045861070.db2.gz JAZNZTHRUNHWIR-PMACEKPBSA-N 1 0 397.316 3.904 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)cc1 ZINC001261840717 1046111778 /nfs/dbraw/zinc/11/17/78/1046111778.db2.gz RBCICOPDLJZJJS-UHFFFAOYSA-N 1 0 375.516 3.879 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+](CC)C(C)C ZINC001300797637 1046166451 /nfs/dbraw/zinc/16/64/51/1046166451.db2.gz GIPLQRRHWRZYOS-HSZRJFAPSA-N 1 0 390.535 3.539 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300906152 1046233904 /nfs/dbraw/zinc/23/39/04/1046233904.db2.gz JALMGGXFXPWRIS-KRWDZBQOSA-N 1 0 383.540 3.839 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301097164 1046339868 /nfs/dbraw/zinc/33/98/68/1046339868.db2.gz QIBYOZQIQNPJOE-VAMGGRTRSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301231786 1046419273 /nfs/dbraw/zinc/41/92/73/1046419273.db2.gz PZCDFASGXDXKLS-WOJBJXKFSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCC[NH+]1CCC(C)CC1 ZINC001301282803 1046452405 /nfs/dbraw/zinc/45/24/05/1046452405.db2.gz KRLHQCAAHNMIQD-UHFFFAOYSA-N 1 0 392.551 3.951 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(C[NH+](CC)CC)c1 ZINC001301287822 1046455115 /nfs/dbraw/zinc/45/51/15/1046455115.db2.gz ZWUQUAVTBZDCEA-UHFFFAOYSA-N 1 0 378.524 3.786 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001301302444 1046464767 /nfs/dbraw/zinc/46/47/67/1046464767.db2.gz DBSHVFBEVWSRQJ-OALUTQOASA-N 1 0 396.583 3.643 20 30 GHEDRO C=CCn1c([C@H](OC)C2CC2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001262998851 1046482921 /nfs/dbraw/zinc/48/29/21/1046482921.db2.gz JODIKGOZACVHNE-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001301348478 1046504252 /nfs/dbraw/zinc/50/42/52/1046504252.db2.gz BJVAUBCMPHDRNV-IBGZPJMESA-N 1 0 379.508 3.929 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001301383255 1046518377 /nfs/dbraw/zinc/51/83/77/1046518377.db2.gz AKOOXIYIYOPWKD-LJQANCHMSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCn1c(CC2CCCC2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001301467701 1046554236 /nfs/dbraw/zinc/55/42/36/1046554236.db2.gz DITHEJNTKJTGMX-NRFANRHFSA-N 1 0 379.552 3.908 20 30 GHEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC001263087502 1046554932 /nfs/dbraw/zinc/55/49/32/1046554932.db2.gz ITJJQAZHXLLRGU-LJQANCHMSA-N 1 0 388.489 3.505 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001301539341 1046586457 /nfs/dbraw/zinc/58/64/57/1046586457.db2.gz QXSWGIYGYDKRJO-VAMGGRTRSA-N 1 0 389.588 3.695 20 30 GHEDRO [NH3+]CC[C@H]1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC001263213293 1046639067 /nfs/dbraw/zinc/63/90/67/1046639067.db2.gz RZXMZMCFDSRETO-JTQLQIEISA-N 1 0 386.311 3.787 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC[C@H](C)C1 ZINC001263278675 1046671588 /nfs/dbraw/zinc/67/15/88/1046671588.db2.gz ONQMAXAHOYWSSO-AZUAARDMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001263282449 1046675666 /nfs/dbraw/zinc/67/56/66/1046675666.db2.gz BKIRMRVWYRRQIV-GOSISDBHSA-N 1 0 396.539 3.760 20 30 GHEDRO C=C(C)Cn1c(CCC[N@H+](C)Cc2c(C)noc2C)nnc1N1CCC[C@H]1C ZINC001263300190 1046696766 /nfs/dbraw/zinc/69/67/66/1046696766.db2.gz IANYWRJWUBJJCO-MRXNPFEDSA-N 1 0 386.544 3.512 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCCCC3)CC2)nnc1[C@](C)(O)CC ZINC001263326464 1046714149 /nfs/dbraw/zinc/71/41/49/1046714149.db2.gz SNOQPYSBLJNJCK-OAQYLSRUSA-N 1 0 389.588 3.707 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001301965163 1046765175 /nfs/dbraw/zinc/76/51/75/1046765175.db2.gz HVMZQLYCZNAJKD-PXNSSMCTSA-N 1 0 380.540 3.834 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001301975294 1046772551 /nfs/dbraw/zinc/77/25/51/1046772551.db2.gz UCMIPQXEAOUJPS-RTBURBONSA-N 1 0 388.604 3.975 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001302738074 1047077992 /nfs/dbraw/zinc/07/79/92/1047077992.db2.gz UHBKUCHFGGZFHZ-SFTDATJTSA-N 1 0 392.551 3.782 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[NH+]1CCCCCC1 ZINC001303638656 1047461868 /nfs/dbraw/zinc/46/18/68/1047461868.db2.gz BPJTXWSFHVNRSA-GOSISDBHSA-N 1 0 398.530 3.622 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CC1([NH+](C)C)CCCC1 ZINC001303640110 1047463096 /nfs/dbraw/zinc/46/30/96/1047463096.db2.gz HZIQXUVQOBLRGK-KRWDZBQOSA-N 1 0 398.530 3.621 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304802409 1047774052 /nfs/dbraw/zinc/77/40/52/1047774052.db2.gz PWXJNDAZPHYQIQ-MSOLQXFVSA-N 1 0 392.551 3.748 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCCC(F)(F)F)C[C@H]32)c(Cl)c1 ZINC001279527236 1047834020 /nfs/dbraw/zinc/83/40/20/1047834020.db2.gz VGOFLHKCDKUWCK-XJKSGUPXSA-N 1 0 385.817 3.700 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCCC2)[C@H]1C ZINC001305075874 1047877229 /nfs/dbraw/zinc/87/72/29/1047877229.db2.gz FFTDDFOXCKGVLG-MOPGFXCFSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)CC1 ZINC001305079558 1047881174 /nfs/dbraw/zinc/88/11/74/1047881174.db2.gz TXCUTCTVCRDDIY-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001280270183 1048153880 /nfs/dbraw/zinc/15/38/80/1048153880.db2.gz RCVNUTKSVBPRQC-OAHLLOKOSA-N 1 0 375.563 3.655 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001305582063 1048154806 /nfs/dbraw/zinc/15/48/06/1048154806.db2.gz PGEVSUXXERRRPY-JXFKEZNVSA-N 1 0 380.540 3.639 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001286307061 1048267625 /nfs/dbraw/zinc/26/76/25/1048267625.db2.gz ZLWRHDPWNZANCO-OALUTQOASA-N 1 0 397.592 3.821 20 30 GHEDRO C#CCCCCn1c(C2CC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001286324893 1048272973 /nfs/dbraw/zinc/27/29/73/1048272973.db2.gz TYKSXNBMZALYMZ-HXUWFJFHSA-N 1 0 383.584 3.907 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CC1([NH+](C)C)CCC1 ZINC001286450632 1048330516 /nfs/dbraw/zinc/33/05/16/1048330516.db2.gz FFECOLDFWCSYIY-HXUWFJFHSA-N 1 0 379.552 3.764 20 30 GHEDRO C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286500431 1048339612 /nfs/dbraw/zinc/33/96/12/1048339612.db2.gz XQKDBOVBACYEQV-RBUKOAKNSA-N 1 0 397.592 3.539 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CC1(SC)CC[NH+](C)CC1 ZINC001286516338 1048344718 /nfs/dbraw/zinc/34/47/18/1048344718.db2.gz GDQXDJJXNQLHFD-YLJYHZDGSA-N 1 0 389.613 3.611 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[N@H+]1CC ZINC001286519835 1048346687 /nfs/dbraw/zinc/34/66/87/1048346687.db2.gz MNFHCDYUXJOKCB-HTAPYJJXSA-N 1 0 381.499 3.561 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001286520533 1048347532 /nfs/dbraw/zinc/34/75/32/1048347532.db2.gz NWLRNPUYTPCXOK-FDDCHVKYSA-N 1 0 395.551 3.676 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001286639638 1048406527 /nfs/dbraw/zinc/40/65/27/1048406527.db2.gz BRVJVWFRSUZMJI-QGZVFWFLSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286696325 1048456382 /nfs/dbraw/zinc/45/63/82/1048456382.db2.gz APAFJSAVVOSGQQ-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286709354 1048467781 /nfs/dbraw/zinc/46/77/81/1048467781.db2.gz QVQZLLDPCFCCMD-PMACEKPBSA-N 1 0 395.551 3.519 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001286720581 1048477371 /nfs/dbraw/zinc/47/73/71/1048477371.db2.gz JEALYXXUBDSGOL-KRWDZBQOSA-N 1 0 397.523 3.561 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001286723543 1048480981 /nfs/dbraw/zinc/48/09/81/1048480981.db2.gz RSVOAIPKUVXJNT-MJGOQNOKSA-N 1 0 387.528 3.818 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1 ZINC001286725312 1048482056 /nfs/dbraw/zinc/48/20/56/1048482056.db2.gz RBBFMJKKFUUYRX-IBGZPJMESA-N 1 0 375.561 3.798 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001286742994 1048500558 /nfs/dbraw/zinc/50/05/58/1048500558.db2.gz XLMHTABBIZFTFE-OAQYLSRUSA-N 1 0 390.535 3.704 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001306320905 1048565340 /nfs/dbraw/zinc/56/53/40/1048565340.db2.gz BWLHQNKKFOSZSN-SIKLNZKXSA-N 1 0 384.572 3.940 20 30 GHEDRO CC(C)(Cn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001287088610 1048593369 /nfs/dbraw/zinc/59/33/69/1048593369.db2.gz ROBWXACIJYXBTP-JOCHJYFZSA-N 1 0 396.514 3.652 20 30 GHEDRO CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001287103840 1048598756 /nfs/dbraw/zinc/59/87/56/1048598756.db2.gz WWZDRPICQCWPDJ-WIYYLYMNSA-N 1 0 390.535 3.846 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001287321171 1048715198 /nfs/dbraw/zinc/71/51/98/1048715198.db2.gz BRPIZLIFCHKTFK-DBXWQHBBSA-N 1 0 394.567 3.885 20 30 GHEDRO CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001306573946 1048746371 /nfs/dbraw/zinc/74/63/71/1048746371.db2.gz JSDAYDVZRQBWNX-DLBZAZTESA-N 1 0 380.540 3.924 20 30 GHEDRO Cc1cc(NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)c(C#N)cn1 ZINC001306983773 1048992212 /nfs/dbraw/zinc/99/22/12/1048992212.db2.gz KJDYUJBWVLTEQR-UHFFFAOYSA-N 1 0 378.520 3.939 20 30 GHEDRO COc1ccc(OC)c2sc(N(CC[NH+](C)C)Cc3ccc(C#N)cc3)nc21 ZINC001306995204 1048997152 /nfs/dbraw/zinc/99/71/52/1048997152.db2.gz KMZQBKBVDATBQK-UHFFFAOYSA-N 1 0 396.516 3.753 20 30 GHEDRO CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001307003013 1049000195 /nfs/dbraw/zinc/00/01/95/1049000195.db2.gz SUDJMUYVDYBHHQ-LJQANCHMSA-N 1 0 392.551 3.927 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1 ZINC001307060974 1049047528 /nfs/dbraw/zinc/04/75/28/1049047528.db2.gz CFPODTYIOFFUNU-GOSISDBHSA-N 1 0 395.555 3.668 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC001288343023 1049052884 /nfs/dbraw/zinc/05/28/84/1049052884.db2.gz BYGICIUMUMBOMC-UHFFFAOYSA-N 1 0 383.536 3.973 20 30 GHEDRO C[C@H](Cn1c(C2CCCC2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)[NH+](C)C ZINC001288636856 1049175329 /nfs/dbraw/zinc/17/53/29/1049175329.db2.gz KFSFEJWCKOYCTJ-UIFIKXQLSA-N 1 0 392.551 3.629 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1C)C[NH+]1CCCCC1 ZINC001288697679 1049202681 /nfs/dbraw/zinc/20/26/81/1049202681.db2.gz DQTGVQCZPYHFMR-RBUKOAKNSA-N 1 0 392.551 3.927 20 30 GHEDRO CO[C@@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)C ZINC001307482880 1049321539 /nfs/dbraw/zinc/32/15/39/1049321539.db2.gz SXYBLQVFRXGAIH-CABCVRRESA-N 1 0 377.554 3.818 20 30 GHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001307501545 1049342715 /nfs/dbraw/zinc/34/27/15/1049342715.db2.gz XOSAFBWJYWHJPL-QFIPXVFZSA-N 1 0 376.504 3.656 20 30 GHEDRO N#Cc1cccc([C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001307522777 1049366211 /nfs/dbraw/zinc/36/62/11/1049366211.db2.gz CIHNQGCPUDSYDS-RBZQAINGSA-N 1 0 375.516 3.578 20 30 GHEDRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001307595459 1049434194 /nfs/dbraw/zinc/43/41/94/1049434194.db2.gz KGQRWOBKYUWWHM-NWVWQQAFSA-N 1 0 392.547 3.528 20 30 GHEDRO CCCc1ccc([C@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C(C)C)cc1 ZINC001307602671 1049442113 /nfs/dbraw/zinc/44/21/13/1049442113.db2.gz FFTLOINJPXJZEL-ISKFKSNPSA-N 1 0 398.595 3.618 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C)c(F)c1 ZINC001307612344 1049449870 /nfs/dbraw/zinc/44/98/70/1049449870.db2.gz YCOBPDRVKZRCCK-HXUWFJFHSA-N 1 0 391.450 3.871 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1OC ZINC001289490075 1049512717 /nfs/dbraw/zinc/51/27/17/1049512717.db2.gz FMTFAZCNURPWQO-CLFYSBASSA-N 1 0 384.520 3.796 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC001307698075 1049516873 /nfs/dbraw/zinc/51/68/73/1049516873.db2.gz LVYSJEWBEHDZFZ-ACESQOTJSA-N 1 0 376.500 3.956 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC001307943899 1049713967 /nfs/dbraw/zinc/71/39/67/1049713967.db2.gz MIYRQNOIBXIQIY-INIZCTEOSA-N 1 0 378.259 3.517 20 30 GHEDRO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001308007582 1049755590 /nfs/dbraw/zinc/75/55/90/1049755590.db2.gz HAORUXYRDAUFCH-NQIIRXRSSA-N 1 0 382.479 3.900 20 30 GHEDRO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC001308056711 1049804627 /nfs/dbraw/zinc/80/46/27/1049804627.db2.gz ISKBIKMUYANVFN-QFIPXVFZSA-N 1 0 394.494 3.795 20 30 GHEDRO CN(C)C(=O)[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001308108588 1049853679 /nfs/dbraw/zinc/85/36/79/1049853679.db2.gz IVRREFUJZUMWPK-FQEVSTJZSA-N 1 0 375.516 3.687 20 30 GHEDRO C#CCNC(=O)CC[N@@H+](C)Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC001308113893 1049857789 /nfs/dbraw/zinc/85/77/89/1049857789.db2.gz QJOCYMWAPIYSGT-UHFFFAOYSA-N 1 0 386.495 3.990 20 30 GHEDRO Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001290768622 1049920141 /nfs/dbraw/zinc/92/01/41/1049920141.db2.gz FHBOVTRHOYMDSI-PKOBYXMFSA-N 1 0 398.580 3.861 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1OC ZINC001308306598 1049944473 /nfs/dbraw/zinc/94/44/73/1049944473.db2.gz XTZIHEHZGFQBSN-MOPGFXCFSA-N 1 0 394.943 3.646 20 30 GHEDRO COC(=O)[C@H](C)Oc1ccccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001308608044 1050029933 /nfs/dbraw/zinc/02/99/33/1050029933.db2.gz QUQRHTUATKIYQL-KRWDZBQOSA-N 1 0 376.456 3.788 20 30 GHEDRO Cc1csc2nc(C)c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n12 ZINC001308645469 1050045844 /nfs/dbraw/zinc/04/58/44/1050045844.db2.gz MHEOZYWAIICBDD-UHFFFAOYSA-N 1 0 379.533 3.592 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001309181478 1050439088 /nfs/dbraw/zinc/43/90/88/1050439088.db2.gz VNZUKEXKHLMUDN-WIYYLYMNSA-N 1 0 399.560 3.911 20 30 GHEDRO C[C@H]1CCc2nc(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)sc2C1 ZINC001329660761 1050876325 /nfs/dbraw/zinc/87/63/25/1050876325.db2.gz CMGDAIPFXPYTRF-INIZCTEOSA-N 1 0 380.561 3.894 20 30 GHEDRO C#Cc1cncc(C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001330633633 1051047178 /nfs/dbraw/zinc/04/71/78/1051047178.db2.gz FKZWZRIYJDKXAY-HSZRJFAPSA-N 1 0 387.527 3.826 20 30 GHEDRO Nc1cc[nH+]c(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1 ZINC001330982405 1051162393 /nfs/dbraw/zinc/16/23/93/1051162393.db2.gz ANDCGNHVPBHOGC-UHFFFAOYSA-N 1 0 395.278 3.883 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCCC[N@@H+](CC)C2CCCCC2)cc1 ZINC001310168016 1051202495 /nfs/dbraw/zinc/20/24/95/1051202495.db2.gz INMAUHCKPVAIGG-UHFFFAOYSA-N 1 0 386.540 3.769 20 30 GHEDRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331329541 1051249941 /nfs/dbraw/zinc/24/99/41/1051249941.db2.gz BFPZLOOXQAOTIU-UGPJVZIOSA-N 1 0 391.437 3.682 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001310278449 1051266807 /nfs/dbraw/zinc/26/68/07/1051266807.db2.gz SDRXKJPYPMOPTA-LJQANCHMSA-N 1 0 376.504 3.723 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)C3(c4ccc(C#N)cc4)CCCC3)cc2)CC1 ZINC001331504124 1051304826 /nfs/dbraw/zinc/30/48/26/1051304826.db2.gz NTMRZENGHRHPLS-UHFFFAOYSA-N 1 0 388.515 3.761 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001310370406 1051312579 /nfs/dbraw/zinc/31/25/79/1051312579.db2.gz ANQDHTGEDDUSRI-GOSISDBHSA-N 1 0 389.858 3.916 20 30 GHEDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC001310392785 1051326203 /nfs/dbraw/zinc/32/62/03/1051326203.db2.gz CSNYEKQGMUJLPY-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO CC1CC[NH+](CCc2nnc(C3CCN(c4ccc(C#N)cc4F)CC3)o2)CC1 ZINC001331839393 1051387973 /nfs/dbraw/zinc/38/79/73/1051387973.db2.gz HZYWPISAFQRYGL-UHFFFAOYSA-N 1 0 397.498 3.739 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(CC#N)n1 ZINC001311155573 1051911250 /nfs/dbraw/zinc/91/12/50/1051911250.db2.gz RSFLKLZANPXRAV-HXUWFJFHSA-N 1 0 377.492 3.522 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001335708039 1052155542 /nfs/dbraw/zinc/15/55/42/1052155542.db2.gz MSGWOFFUHXXVJU-GHTZIAJQSA-N 1 0 383.517 3.702 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC001336223092 1052240343 /nfs/dbraw/zinc/24/03/43/1052240343.db2.gz CCZDSSSKOSXINE-NQIIRXRSSA-N 1 0 382.460 3.878 20 30 GHEDRO C#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC001311582192 1052262321 /nfs/dbraw/zinc/26/23/21/1052262321.db2.gz XHIOJOMONYAGPJ-NRFANRHFSA-N 1 0 381.907 3.958 20 30 GHEDRO C=CCCCCNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001311903343 1052466443 /nfs/dbraw/zinc/46/64/43/1052466443.db2.gz AWFXDFXUNUVDCR-UHFFFAOYSA-N 1 0 378.948 3.508 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC001313124578 1052964069 /nfs/dbraw/zinc/96/40/69/1052964069.db2.gz RRTUZLRSDXANFJ-RHSMWYFYSA-N 1 0 386.323 3.583 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001313715539 1053186791 /nfs/dbraw/zinc/18/67/91/1053186791.db2.gz IKOYCOCZJQREDB-UHFFFAOYSA-N 1 0 391.523 3.513 20 30 GHEDRO CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001342551972 1053234838 /nfs/dbraw/zinc/23/48/38/1053234838.db2.gz VUOQRFVCFKRFOJ-TZQQIIETSA-N 1 0 397.910 3.862 20 30 GHEDRO CC[N@H+](CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)CC#N)C1CC1 ZINC001313805279 1053238944 /nfs/dbraw/zinc/23/89/44/1053238944.db2.gz IXVKVGNGPVGJJU-INIZCTEOSA-N 1 0 392.507 3.914 20 30 GHEDRO C=C(C)Cn1c(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)nnc1[C@]1(C)CCC=CO1 ZINC001342707280 1053312105 /nfs/dbraw/zinc/31/21/05/1053312105.db2.gz MQIJQYAQVNUVKG-GCJKJVERSA-N 1 0 394.523 3.504 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001342905595 1053424760 /nfs/dbraw/zinc/42/47/60/1053424760.db2.gz PCWANDBYVAIIDY-FQEVSTJZSA-N 1 0 386.588 3.729 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001342905598 1053424824 /nfs/dbraw/zinc/42/48/24/1053424824.db2.gz PCWANDBYVAIIDY-HXUWFJFHSA-N 1 0 386.588 3.729 20 30 GHEDRO Cn1c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)ccc1[C@H]1CCCC[NH2+]1 ZINC001342990065 1053481884 /nfs/dbraw/zinc/48/18/84/1053481884.db2.gz PILDTKKFXCDQJJ-HXUWFJFHSA-N 1 0 376.504 3.731 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 ZINC001314647786 1053548200 /nfs/dbraw/zinc/54/82/00/1053548200.db2.gz FKMPZHOWNLNTLE-DENIHFKCSA-N 1 0 396.514 3.554 20 30 GHEDRO C[N@H+](CCn1c(C2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)Cc1ccccc1 ZINC001314865135 1053654855 /nfs/dbraw/zinc/65/48/55/1053654855.db2.gz IBOQHAYONHRJCZ-JOCHJYFZSA-N 1 0 396.514 3.510 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nnc1C(C)(C)C#N ZINC001343314353 1053697761 /nfs/dbraw/zinc/69/77/61/1053697761.db2.gz CCUGWJVRSCAIRZ-RBUKOAKNSA-N 1 0 384.572 3.746 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1[C@]12CCC=C1OCC2 ZINC001343403128 1053752263 /nfs/dbraw/zinc/75/22/63/1053752263.db2.gz AMEPTEXJPVAQBJ-CVDCTZTESA-N 1 0 397.567 3.502 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@@H]2C1 ZINC001343515533 1053833966 /nfs/dbraw/zinc/83/39/66/1053833966.db2.gz PQAYSOBROVUDMT-GBESFXJTSA-N 1 0 378.520 3.747 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001343549667 1053866562 /nfs/dbraw/zinc/86/65/62/1053866562.db2.gz VTNQXALVJWKACJ-KRWDZBQOSA-N 1 0 398.580 3.501 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343583628 1053906700 /nfs/dbraw/zinc/90/67/00/1053906700.db2.gz RFZHIXZQSQEUFI-MOPGFXCFSA-N 1 0 389.588 3.836 20 30 GHEDRO C=C(C)Cn1c(CCCCC#N)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001343589552 1053910516 /nfs/dbraw/zinc/91/05/16/1053910516.db2.gz FZMRCMHTORKURY-UHFFFAOYSA-N 1 0 384.572 3.935 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001343698733 1053977167 /nfs/dbraw/zinc/97/71/67/1053977167.db2.gz SOSKUBOOIOSARC-HXUWFJFHSA-N 1 0 393.535 3.663 20 30 GHEDRO C=C(C)Cn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CC[C@@H](CF)C1 ZINC001343984750 1054161173 /nfs/dbraw/zinc/16/11/73/1054161173.db2.gz WVEVUKYEVPOHNM-SFHVURJKSA-N 1 0 398.530 3.737 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001344396136 1054423373 /nfs/dbraw/zinc/42/33/73/1054423373.db2.gz GJCWBTSQNMXYMB-CEWLAPEOSA-N 1 0 392.551 3.662 20 30 GHEDRO C=C1CCC(C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)CC1 ZINC001474702544 1054475865 /nfs/dbraw/zinc/47/58/65/1054475865.db2.gz SLVJIIYUFWVCOR-IBGZPJMESA-N 1 0 390.572 3.748 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001318374267 1054596958 /nfs/dbraw/zinc/59/69/58/1054596958.db2.gz RKCQTSUTNCYHSB-UHFFFAOYSA-N 1 0 391.849 3.894 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1cccs1 ZINC001344771171 1054733607 /nfs/dbraw/zinc/73/36/07/1054733607.db2.gz HOKXGRAOXIXWPE-QGZVFWFLSA-N 1 0 398.580 3.860 20 30 GHEDRO N#CC1(COC(=O)C2(Oc3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001345037560 1054866126 /nfs/dbraw/zinc/86/61/26/1054866126.db2.gz SEPZNGQSQCZRAR-UHFFFAOYSA-N 1 0 390.483 3.947 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1CC1 ZINC001345699674 1055211563 /nfs/dbraw/zinc/21/15/63/1055211563.db2.gz NLYVLHLZSWMFGG-LVCYWYKZSA-N 1 0 392.551 3.662 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC001320035356 1055611741 /nfs/dbraw/zinc/61/17/41/1055611741.db2.gz XNRYEXVHMZXRID-WOIUINJBSA-N 1 0 385.552 3.651 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001320554513 1055878825 /nfs/dbraw/zinc/87/88/25/1055878825.db2.gz JICGZOYAURRARU-UHFFFAOYSA-N 1 0 395.503 3.573 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21)C(C)C ZINC001321194142 1056149435 /nfs/dbraw/zinc/14/94/35/1056149435.db2.gz RJPLXLKZTQKMMB-UXHICEINSA-N 1 0 387.572 3.839 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300468656 1056205828 /nfs/dbraw/zinc/20/58/28/1056205828.db2.gz GZTKFMNMUAVUGM-HXUWFJFHSA-N 1 0 393.560 3.611 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC001321656093 1056353459 /nfs/dbraw/zinc/35/34/59/1056353459.db2.gz UGGDRUJHRVMJQX-UYAOXDASSA-N 1 0 394.523 3.691 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1 ZINC001322019050 1056476970 /nfs/dbraw/zinc/47/69/70/1056476970.db2.gz XKNWUQDMELJZBF-NRFANRHFSA-N 1 0 394.515 3.652 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1OC ZINC001200692045 1056746242 /nfs/dbraw/zinc/74/62/42/1056746242.db2.gz NLNZWAOCEVKHAO-ZFWWWQNUSA-N 1 0 384.314 3.663 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1OC ZINC001200692042 1056746306 /nfs/dbraw/zinc/74/63/06/1056746306.db2.gz NLNZWAOCEVKHAO-DZGCQCFKSA-N 1 0 384.314 3.663 20 30 GHEDRO CC(C)(C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccc(C#N)cc1 ZINC001354669600 1056878267 /nfs/dbraw/zinc/87/82/67/1056878267.db2.gz FUOQSTGVAWVREO-FQEVSTJZSA-N 1 0 389.499 3.598 20 30 GHEDRO FC(F)(F)c1cc(N=NC2CCC[N@@H+]3CCCC[C@H]23)nc(-c2ccccn2)n1 ZINC000848405999 1057069430 /nfs/dbraw/zinc/06/94/30/1057069430.db2.gz GMPIIBYFGBLHQY-OAHLLOKOSA-N 1 0 390.413 3.974 20 30 GHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001355873609 1057300704 /nfs/dbraw/zinc/30/07/04/1057300704.db2.gz SWRGYRUHMJFDMI-AZUAARDMSA-N 1 0 395.551 3.547 20 30 GHEDRO C=CCn1c(CC(F)F)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001355967787 1057336573 /nfs/dbraw/zinc/33/65/73/1057336573.db2.gz HAMBCEKPKMYOME-WMZOPIPTSA-N 1 0 389.494 3.761 20 30 GHEDRO C=CCn1c(N(C)C2CC[NH+](CCC)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001356007739 1057353712 /nfs/dbraw/zinc/35/37/12/1057353712.db2.gz MZVADWWAILEFDR-QFIPXVFZSA-N 1 0 382.556 3.500 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001356053048 1057370630 /nfs/dbraw/zinc/37/06/30/1057370630.db2.gz FGBDAQOKSPWIED-RBBKRZOGSA-N 1 0 398.514 3.567 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]2C1 ZINC001356063576 1057374211 /nfs/dbraw/zinc/37/42/11/1057374211.db2.gz VQIGUEDVKQTNIS-SQWLQELKSA-N 1 0 391.313 3.515 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ncccc23)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001356340388 1057482956 /nfs/dbraw/zinc/48/29/56/1057482956.db2.gz FWXQCSZEALAEMP-QGZVFWFLSA-N 1 0 393.539 3.566 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001356577758 1057555109 /nfs/dbraw/zinc/55/51/09/1057555109.db2.gz IIOISXUFUZSVER-UAFMIMERSA-N 1 0 382.556 3.572 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000849054321 1057564961 /nfs/dbraw/zinc/56/49/61/1057564961.db2.gz FLWKXDFTRJBDBX-FQEVSTJZSA-N 1 0 377.488 3.997 20 30 GHEDRO COc1ccccc1[C@H](CNC(=[NH+]Cc1ccccc1)N(C)C)N1CCCC1 ZINC000849057324 1057569182 /nfs/dbraw/zinc/56/91/82/1057569182.db2.gz IZVFVHNIONHCFL-NRFANRHFSA-N 1 0 380.536 3.540 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCNc2ncccc2C#N)cc1 ZINC000849058506 1057569832 /nfs/dbraw/zinc/56/98/32/1057569832.db2.gz DCPFQAOTOXPXIC-UHFFFAOYSA-N 1 0 384.487 3.932 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001357129827 1057611030 /nfs/dbraw/zinc/61/10/30/1057611030.db2.gz PRNKVUHGIXBOFZ-UHFFFAOYSA-N 1 0 377.532 3.989 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001357144027 1057614761 /nfs/dbraw/zinc/61/47/61/1057614761.db2.gz GOCHIARETYTDEP-XMTFNYHQSA-N 1 0 393.526 3.924 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001338621416 1058687211 /nfs/dbraw/zinc/68/72/11/1058687211.db2.gz ISZAZFHWRNEXQZ-MJGOQNOKSA-N 1 0 387.597 3.528 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 ZINC001441872152 1058876096 /nfs/dbraw/zinc/87/60/96/1058876096.db2.gz UWAYVNMPPXOGLZ-UHFFFAOYSA-N 1 0 380.492 3.763 20 30 GHEDRO C=CCn1c([C@@H]2CCCN2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001338920557 1058881353 /nfs/dbraw/zinc/88/13/53/1058881353.db2.gz GVMZJQYNRNADBW-FQEVSTJZSA-N 1 0 390.535 3.931 20 30 GHEDRO C=CCn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001338930372 1058887824 /nfs/dbraw/zinc/88/78/24/1058887824.db2.gz KBSYQXLJBXDYGK-MRXNPFEDSA-N 1 0 399.587 3.512 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001338995724 1058919224 /nfs/dbraw/zinc/91/92/24/1058919224.db2.gz SGGLFARQPCISAG-WNRNVDISSA-N 1 0 375.561 3.507 20 30 GHEDRO C=CCn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339225346 1059022730 /nfs/dbraw/zinc/02/27/30/1059022730.db2.gz TUAPJNNRWAKLBU-SFHVURJKSA-N 1 0 395.551 3.639 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)cc(Br)c1N)C(C)C ZINC001443432634 1059130092 /nfs/dbraw/zinc/13/00/92/1059130092.db2.gz XKUBCGQOLQMNIO-QGZVFWFLSA-N 1 0 394.357 3.768 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]1c1ccccc1OC ZINC001339483477 1059245677 /nfs/dbraw/zinc/24/56/77/1059245677.db2.gz JDHHTDMNLRFGGE-HKUYNNGSSA-N 1 0 381.524 3.623 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001339497350 1059255741 /nfs/dbraw/zinc/25/57/41/1059255741.db2.gz CLBIMHICTVVIFQ-TZIWHRDSSA-N 1 0 392.551 3.625 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(OCC#N)c2)[C@H]1c1cccs1 ZINC001339615340 1059348687 /nfs/dbraw/zinc/34/86/87/1059348687.db2.gz ZUMFBAXQOSGOQT-XLIONFOSSA-N 1 0 398.532 3.533 20 30 GHEDRO C#CCC1(c2nnc(Nc3cnn(C4CC[NH+](C)CC4)c3)n2CC)CCCCC1 ZINC001339739996 1059431355 /nfs/dbraw/zinc/43/13/55/1059431355.db2.gz HITAFEXRUYJOGQ-UHFFFAOYSA-N 1 0 395.555 3.730 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001340124728 1059710477 /nfs/dbraw/zinc/71/04/77/1059710477.db2.gz WLGYJSKKAWWRCN-SFTDATJTSA-N 1 0 392.551 3.806 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340431589 1059928271 /nfs/dbraw/zinc/92/82/71/1059928271.db2.gz UHFIDLDUYCZDIP-KCLUMXDGSA-N 1 0 399.583 3.590 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCCCCCC1 ZINC001340633342 1060003856 /nfs/dbraw/zinc/00/38/56/1060003856.db2.gz AFWRUQYRZRBEQK-HXUWFJFHSA-N 1 0 387.572 3.941 20 30 GHEDRO C=CCn1c([C@@H](O)CC2CCCCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340799167 1060135264 /nfs/dbraw/zinc/13/52/64/1060135264.db2.gz RJPXKIJDVSKMHA-FQEVSTJZSA-N 1 0 389.588 3.779 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Cc3ccc(C#N)cc3)n2CC)C1 ZINC001340975879 1060304245 /nfs/dbraw/zinc/30/42/45/1060304245.db2.gz QYZOLQXTWZTPBV-RXVVDRJESA-N 1 0 394.567 3.684 20 30 GHEDRO C#C[C@@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccc(Cl)cc1 ZINC001450852022 1060708055 /nfs/dbraw/zinc/70/80/55/1060708055.db2.gz SCIOBNBHWVYRIJ-JOCHJYFZSA-N 1 0 395.934 3.651 20 30 GHEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001341553178 1060740916 /nfs/dbraw/zinc/74/09/16/1060740916.db2.gz SFYAOUSZFVDIDF-LJQANCHMSA-N 1 0 378.538 3.556 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(CC)CC1 ZINC001341667412 1060800071 /nfs/dbraw/zinc/80/00/71/1060800071.db2.gz GKFFKTLUZLYBGH-FQEVSTJZSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C#N ZINC001341854774 1060925881 /nfs/dbraw/zinc/92/58/81/1060925881.db2.gz VAXZLUCJGGWCNH-UHFFFAOYSA-N 1 0 396.514 3.507 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001341950286 1060965841 /nfs/dbraw/zinc/96/58/41/1060965841.db2.gz BVTNCTCDBQMJGE-UHFFFAOYSA-N 1 0 384.528 3.520 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001342007019 1060993012 /nfs/dbraw/zinc/99/30/12/1060993012.db2.gz QIGIRTOSASUTBF-GVDBMIGSSA-N 1 0 398.580 3.632 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001342007015 1060993326 /nfs/dbraw/zinc/99/33/26/1060993326.db2.gz QIGIRTOSASUTBF-BBWFWOEESA-N 1 0 398.580 3.632 20 30 GHEDRO C=CCn1c([C@H]2CC(C)=NN=C2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342007969 1060993891 /nfs/dbraw/zinc/99/38/91/1060993891.db2.gz UQOPVHCHRKJQKN-IBGZPJMESA-N 1 0 397.571 3.633 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001342039818 1061016059 /nfs/dbraw/zinc/01/60/59/1061016059.db2.gz XVFQLWOSUHVQOO-WOJBJXKFSA-N 1 0 384.572 3.820 20 30 GHEDRO C=CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N(C)[C@@H](C)CC#N ZINC001342234091 1061161743 /nfs/dbraw/zinc/16/17/43/1061161743.db2.gz ZLBUVBDWNSYWFF-SFHVURJKSA-N 1 0 378.524 3.582 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC001345955136 1061241451 /nfs/dbraw/zinc/24/14/51/1061241451.db2.gz CFVLDKUCRBYVEY-BUXKBTBVSA-N 1 0 392.286 3.905 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC1CC1 ZINC001346033197 1061307779 /nfs/dbraw/zinc/30/77/79/1061307779.db2.gz DLJJIVITSBJUIB-UHFFFAOYSA-N 1 0 392.551 3.592 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C12CCC2 ZINC001454173948 1061637589 /nfs/dbraw/zinc/63/75/89/1061637589.db2.gz NWHIVOQDVIDNOH-FCHUYYIVSA-N 1 0 389.499 3.740 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc(OC)c1OC ZINC001454312302 1061712040 /nfs/dbraw/zinc/71/20/40/1061712040.db2.gz MAUJUAAJCZPWKP-NRFANRHFSA-N 1 0 394.515 3.745 20 30 GHEDRO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492780131 1061917840 /nfs/dbraw/zinc/91/78/40/1061917840.db2.gz CPIFGBWRCHDOJE-ROUUACIJSA-N 1 0 394.567 3.851 20 30 GHEDRO CC(C)Cn1c(CCCCC#N)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001347587670 1062512245 /nfs/dbraw/zinc/51/22/45/1062512245.db2.gz RXJVYANLLFAUHQ-QUCCMNQESA-N 1 0 384.572 3.624 20 30 GHEDRO N#C[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C3CCCC3)n2CC2CC2)C1 ZINC001347925520 1062785264 /nfs/dbraw/zinc/78/52/64/1062785264.db2.gz RBKMCOGOXYADIG-QUCCMNQESA-N 1 0 382.556 3.898 20 30 GHEDRO C#CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001435655913 1062817610 /nfs/dbraw/zinc/81/76/10/1062817610.db2.gz FDQFZDSEAZYJMV-GMKZXUHWSA-N 1 0 388.511 3.729 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])cc2)C1 ZINC001458112202 1063574092 /nfs/dbraw/zinc/57/40/92/1063574092.db2.gz NDXWLGYPJIGWQB-IYBDPMFKSA-N 1 0 379.464 3.951 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)c(F)c1 ZINC001437014771 1063737929 /nfs/dbraw/zinc/73/79/29/1063737929.db2.gz CPDIEZCSMYHIIF-CTNGQTDRSA-N 1 0 381.426 3.718 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC001458369842 1063767936 /nfs/dbraw/zinc/76/79/36/1063767936.db2.gz VBFYLJKFIQYXHG-NRFANRHFSA-N 1 0 380.423 3.708 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC001459413059 1064090996 /nfs/dbraw/zinc/09/09/96/1064090996.db2.gz MBIAEXGQVTZXTI-IBGZPJMESA-N 1 0 398.551 3.717 20 30 GHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CCS(=O)(=O)c1cccc(C#N)c1 ZINC001459552395 1064125171 /nfs/dbraw/zinc/12/51/71/1064125171.db2.gz VFYJGDNTUCZARP-NRFANRHFSA-N 1 0 384.545 3.984 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C2(C#N)CCSCC2)CCCCC1 ZINC001439106877 1064175820 /nfs/dbraw/zinc/17/58/20/1064175820.db2.gz QYMLIAOJOWSNRY-UHFFFAOYSA-N 1 0 385.577 3.974 20 30 GHEDRO CN([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C[NH+]1CCCCCC1 ZINC001459986158 1064322151 /nfs/dbraw/zinc/32/21/51/1064322151.db2.gz RPANEMVFQOYLGJ-NRFANRHFSA-N 1 0 382.552 3.640 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N(Cc1ccco1)Cc1ccco1 ZINC001351862133 1064647473 /nfs/dbraw/zinc/64/74/73/1064647473.db2.gz TVQNJVIMVBIRDC-QGZVFWFLSA-N 1 0 381.480 3.666 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001464769111 1065202075 /nfs/dbraw/zinc/20/20/75/1065202075.db2.gz IJOKPYUMZWIYCT-QGZVFWFLSA-N 1 0 395.931 3.765 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C[C@@H]2C1 ZINC001352773948 1065298073 /nfs/dbraw/zinc/29/80/73/1065298073.db2.gz GKIDWZMPGIKGJB-ZRCGQRJVSA-N 1 0 388.515 3.675 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1O ZINC001465334857 1065551673 /nfs/dbraw/zinc/55/16/73/1065551673.db2.gz QVSLVYMGIYWQTI-UHFFFAOYSA-N 1 0 389.499 3.925 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001300295465 1065945917 /nfs/dbraw/zinc/94/59/17/1065945917.db2.gz IHMDCDMIFWCOFJ-GHTZIAJQSA-N 1 0 388.519 3.568 20 30 GHEDRO C[C@H](Oc1ccccc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745543 1066011215 /nfs/dbraw/zinc/01/12/15/1066011215.db2.gz KJTBJPMLDAYEGW-IBGZPJMESA-N 1 0 378.472 3.803 20 30 GHEDRO CC[C@@H]1C[C@H](CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000847747325 1066024089 /nfs/dbraw/zinc/02/40/89/1066024089.db2.gz GKNIXTBXYKNDAL-NHCUHLMSSA-N 1 0 384.520 3.931 20 30 GHEDRO C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300391691 1066196024 /nfs/dbraw/zinc/19/60/24/1066196024.db2.gz CZZJUDFJXGICHA-UHFFFAOYSA-N 1 0 389.906 3.681 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001466983294 1066428116 /nfs/dbraw/zinc/42/81/16/1066428116.db2.gz KOVZLACOBXZVMA-INIZCTEOSA-N 1 0 379.464 3.660 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001467240944 1067172499 /nfs/dbraw/zinc/17/24/99/1067172499.db2.gz RFXIBFCLEVOPNW-GOSISDBHSA-N 1 0 380.467 3.992 20 30 GHEDRO CCCc1c(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cnn1-c1cccc(C#N)c1 ZINC001467253210 1067179774 /nfs/dbraw/zinc/17/97/74/1067179774.db2.gz KIYMJZNQUPQPQX-UTKZUKDTSA-N 1 0 377.492 3.652 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC001467872723 1067509510 /nfs/dbraw/zinc/50/95/10/1067509510.db2.gz YANQBJQRVIJPQG-LJQANCHMSA-N 1 0 375.516 3.899 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)NCC#Cc2ccccc2)[NH+](CC)CC)cc1 ZINC001467909437 1067523704 /nfs/dbraw/zinc/52/37/04/1067523704.db2.gz AFSNIHPKSVKWSQ-HSZRJFAPSA-N 1 0 377.532 3.983 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1([NH+](C)C)CCC1 ZINC001358873524 1067589440 /nfs/dbraw/zinc/58/94/40/1067589440.db2.gz KKQUKQOWUKRYNH-IBGZPJMESA-N 1 0 391.563 3.690 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)C[NH+](C)C ZINC001358882215 1067593469 /nfs/dbraw/zinc/59/34/69/1067593469.db2.gz VNNOVPCAQZIMGQ-QGZVFWFLSA-N 1 0 390.535 3.539 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001358893125 1067599669 /nfs/dbraw/zinc/59/96/69/1067599669.db2.gz OCUMOPPHGXDXPV-IRLDBZIGSA-N 1 0 393.579 3.900 20 30 GHEDRO C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001358909644 1067608260 /nfs/dbraw/zinc/60/82/60/1067608260.db2.gz MOAMRHJPJDPTJM-UHFFFAOYSA-N 1 0 380.540 3.531 20 30 GHEDRO C#Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC001468174804 1067620524 /nfs/dbraw/zinc/62/05/24/1067620524.db2.gz KVMRUYYECCRAHF-QHCPKHFHSA-N 1 0 375.516 3.940 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)[NH+](CC)CC ZINC001358938550 1067621408 /nfs/dbraw/zinc/62/14/08/1067621408.db2.gz DLPYWDBQNLNMEO-ICSRJNTNSA-N 1 0 397.567 3.835 20 30 GHEDRO C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001358951819 1067628414 /nfs/dbraw/zinc/62/84/14/1067628414.db2.gz MXOSZUQXVSWUQT-QFIPXVFZSA-N 1 0 393.579 3.501 20 30 GHEDRO C#CCN(CC#C)c1nnc([C@H](C)CC)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358968822 1067630127 /nfs/dbraw/zinc/63/01/27/1067630127.db2.gz ADMWLTORPMGCFN-MOPGFXCFSA-N 1 0 395.576 3.763 20 30 GHEDRO C#CCN(CC#C)c1nnc(C2CCCC2)n1CCCCC[NH+]1CCCCC1 ZINC001358977050 1067633074 /nfs/dbraw/zinc/63/30/74/1067633074.db2.gz BDLALRQTANPXKS-UHFFFAOYSA-N 1 0 381.568 3.665 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCC1CC[NH+](CC)CC1 ZINC001359005099 1067647015 /nfs/dbraw/zinc/64/70/15/1067647015.db2.gz VUKYKWMSMGAVMF-UHFFFAOYSA-N 1 0 395.551 3.535 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001359163742 1067719038 /nfs/dbraw/zinc/71/90/38/1067719038.db2.gz QOYSNPLJZQGAJJ-IBGZPJMESA-N 1 0 380.540 3.761 20 30 GHEDRO C=C1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359166181 1067720145 /nfs/dbraw/zinc/72/01/45/1067720145.db2.gz IWUYNRAZCLOMET-KDURUIRLSA-N 1 0 389.588 3.521 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2c(OC)ccc3ccccc32)CC1 ZINC001477803418 1078573878 /nfs/dbraw/zinc/57/38/78/1078573878.db2.gz SOHHLFMFSIPHAI-UHFFFAOYSA-N 1 0 381.520 3.731 20 30 GHEDRO C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359203604 1067773676 /nfs/dbraw/zinc/77/36/76/1067773676.db2.gz RRYHTTFZZFNGIC-LJQANCHMSA-N 1 0 389.588 3.839 20 30 GHEDRO C=CCCCn1c(COc2ccccc2CC)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001359219999 1067798082 /nfs/dbraw/zinc/79/80/82/1067798082.db2.gz KXMBKWIDBZIKDX-IBGZPJMESA-N 1 0 397.567 3.916 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359235211 1067839451 /nfs/dbraw/zinc/83/94/51/1067839451.db2.gz QYXQPVOXVPISQR-JKSUJKDBSA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001359235378 1067839522 /nfs/dbraw/zinc/83/95/22/1067839522.db2.gz XJXXMONSSBCKOW-OAHLLOKOSA-N 1 0 389.931 3.571 20 30 GHEDRO C=CCN(C)c1nnc(CC(C)C)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001359241263 1067850676 /nfs/dbraw/zinc/85/06/76/1067850676.db2.gz KSEMZTBDXFETMX-HXUWFJFHSA-N 1 0 397.567 3.945 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccccc2CC)n1CC[NH+]1CCCCCC1 ZINC001359244632 1067862030 /nfs/dbraw/zinc/86/20/30/1067862030.db2.gz KOMVRGWOXDPWDU-UHFFFAOYSA-N 1 0 397.567 3.918 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359270899 1067938005 /nfs/dbraw/zinc/93/80/05/1067938005.db2.gz FSVXWWHHRVRWQW-RBUKOAKNSA-N 1 0 387.572 3.819 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001477915574 1078626224 /nfs/dbraw/zinc/62/62/24/1078626224.db2.gz IXJWZWDRAYVJIS-PMACEKPBSA-N 1 0 391.515 3.503 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(CC)n1CC1([NH+](C)C)CCCCC1 ZINC001359277133 1067947620 /nfs/dbraw/zinc/94/76/20/1067947620.db2.gz CMZBLJMRPLUNGG-UHFFFAOYSA-N 1 0 385.556 3.933 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359475144 1068070136 /nfs/dbraw/zinc/07/01/36/1068070136.db2.gz DNPGRXJWENDKEV-ROUUACIJSA-N 1 0 394.567 3.956 20 30 GHEDRO CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359607770 1068105454 /nfs/dbraw/zinc/10/54/54/1068105454.db2.gz APFRTYTYHFIZMC-OAQYLSRUSA-N 1 0 390.535 3.848 20 30 GHEDRO CC(C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCCC1 ZINC001359661138 1068121048 /nfs/dbraw/zinc/12/10/48/1068121048.db2.gz DMXAOLTWPCBPTK-DENIHFKCSA-N 1 0 384.572 3.796 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001469425221 1068157590 /nfs/dbraw/zinc/15/75/90/1068157590.db2.gz AUAUESSBTGWAIW-JKSUJKDBSA-N 1 0 395.469 3.936 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001469425218 1068157950 /nfs/dbraw/zinc/15/79/50/1068157950.db2.gz AUAUESSBTGWAIW-CVEARBPZSA-N 1 0 395.469 3.936 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1 ZINC001360106675 1068362800 /nfs/dbraw/zinc/36/28/00/1068362800.db2.gz MYUUDTFKQBTNCQ-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1 ZINC001360106959 1068364170 /nfs/dbraw/zinc/36/41/70/1068364170.db2.gz XRBJAGZZOFUVPA-UHFFFAOYSA-N 1 0 386.931 3.679 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001360472235 1068521023 /nfs/dbraw/zinc/52/10/23/1068521023.db2.gz ZCYJKLWZBUWFQF-SJLPKXTDSA-N 1 0 396.514 3.839 20 30 GHEDRO C[C@H](CCn1c(N2CCC(CC#N)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510104 1068537546 /nfs/dbraw/zinc/53/75/46/1068537546.db2.gz DRXLGIOXKMKZMW-GOSISDBHSA-N 1 0 386.588 3.970 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)[N@H+](C)C1CC1 ZINC001360535981 1068548584 /nfs/dbraw/zinc/54/85/84/1068548584.db2.gz JAOSVUMNTLMYNB-OAHLLOKOSA-N 1 0 398.942 3.821 20 30 GHEDRO C#CCN(C(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)C1CC[NH+](C)CC1 ZINC001470076623 1068558720 /nfs/dbraw/zinc/55/87/20/1068558720.db2.gz GXBFITLEKLZSPH-MRXNPFEDSA-N 1 0 396.318 3.556 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1C#N ZINC001478228415 1078774888 /nfs/dbraw/zinc/77/48/88/1078774888.db2.gz GFVNDRNSDHIYOC-QUCCMNQESA-N 1 0 398.507 3.664 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001460279354 1068903930 /nfs/dbraw/zinc/90/39/30/1068903930.db2.gz QXNVDMMPOABSFW-BEFAXECRSA-N 1 0 381.439 3.788 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)C12CCCC2 ZINC001460365213 1068943917 /nfs/dbraw/zinc/94/39/17/1068943917.db2.gz KMVNURVDIYHCQG-IBGZPJMESA-N 1 0 385.508 3.849 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)c2ccccc2)cc1 ZINC001460405583 1068954248 /nfs/dbraw/zinc/95/42/48/1068954248.db2.gz RHQVPLHHFFCSRL-URXFXBBRSA-N 1 0 388.467 3.686 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC001460912158 1069268220 /nfs/dbraw/zinc/26/82/20/1069268220.db2.gz YVYZEZNGZHQCOF-PGRDOPGGSA-N 1 0 385.508 3.706 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC001460912156 1069268565 /nfs/dbraw/zinc/26/85/65/1069268565.db2.gz YVYZEZNGZHQCOF-GCJKJVERSA-N 1 0 385.508 3.706 20 30 GHEDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCCOc2ccc(C#N)cc2)n1C ZINC001460941932 1069288478 /nfs/dbraw/zinc/28/84/78/1069288478.db2.gz APOYMMCFNOOOJI-FQEVSTJZSA-N 1 0 381.476 3.679 20 30 GHEDRO C[C@H]1C[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)C1 ZINC001470750693 1072720872 /nfs/dbraw/zinc/72/08/72/1072720872.db2.gz LKFHBKRVKFBEGG-NGRWLJPCSA-N 1 0 382.552 3.848 20 30 GHEDRO C[C@]12CN(C(=O)/C=C/c3ccccc3C#N)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001470775012 1072731447 /nfs/dbraw/zinc/73/14/47/1072731447.db2.gz CXYOYFCCNKRQOI-ZYDYDXAFSA-N 1 0 385.511 3.942 20 30 GHEDRO Cc1cc(C(=O)NC2CCC(C)([NH+](C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001471261866 1072987678 /nfs/dbraw/zinc/98/76/78/1072987678.db2.gz JPLYIRIKMRLFMG-UHFFFAOYSA-N 1 0 378.520 3.959 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 ZINC001471938605 1073271333 /nfs/dbraw/zinc/27/13/33/1073271333.db2.gz SCEVXXYRQNBZPM-UHFFFAOYSA-N 1 0 376.287 3.612 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001479103190 1079104610 /nfs/dbraw/zinc/10/46/10/1079104610.db2.gz SIHHKDQNMUAZTJ-WIYYLYMNSA-N 1 0 390.531 3.861 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001472504943 1073519507 /nfs/dbraw/zinc/51/95/07/1073519507.db2.gz MZYUUAHJIJUVRT-HXUWFJFHSA-N 1 0 383.536 3.877 20 30 GHEDRO C=CCC1(NC(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC001479187834 1079142871 /nfs/dbraw/zinc/14/28/71/1079142871.db2.gz YNFJMBPHKIAGNH-UHFFFAOYSA-N 1 0 399.579 3.982 20 30 GHEDRO N#Cc1ccc(Br)cc1NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001472877912 1073707508 /nfs/dbraw/zinc/70/75/08/1073707508.db2.gz GBSVPAVMJIDCIB-YJBOKZPZSA-N 1 0 378.314 3.624 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001479208737 1079153922 /nfs/dbraw/zinc/15/39/22/1079153922.db2.gz CDEHCHDUYHKOCF-AQYVVDRMSA-N 1 0 379.548 3.876 20 30 GHEDRO C[C@@H](Cc1cccs1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001473213650 1073864796 /nfs/dbraw/zinc/86/47/96/1073864796.db2.gz NCLIWQCISTXABJ-HNNXBMFYSA-N 1 0 394.462 3.798 20 30 GHEDRO CC(C)CNC(=O)C1([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC001473246099 1073885461 /nfs/dbraw/zinc/88/54/61/1073885461.db2.gz NPQBKCTUCVJFRZ-UHFFFAOYSA-N 1 0 382.426 3.611 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC001473300782 1073911603 /nfs/dbraw/zinc/91/16/03/1073911603.db2.gz PSGRWNPSPMXXTM-LBPRGKRZSA-N 1 0 390.270 3.974 20 30 GHEDRO C#CC(C)(C)[N@H+](C)CCOc1c(Br)cccc1Br ZINC001473378682 1073941374 /nfs/dbraw/zinc/94/13/74/1073941374.db2.gz MESPZOGVORUTEZ-UHFFFAOYSA-N 1 0 375.104 3.934 20 30 GHEDRO C[C@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC1CCC1 ZINC001473420145 1073957660 /nfs/dbraw/zinc/95/76/60/1073957660.db2.gz FHTGQGIYNHOVLU-LSDHHAIUSA-N 1 0 389.565 3.556 20 30 GHEDRO C=C[C@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473433738 1073961914 /nfs/dbraw/zinc/96/19/14/1073961914.db2.gz DJQSZJNQFVPSDC-PXNSSMCTSA-N 1 0 375.944 3.634 20 30 GHEDRO CCOC1CC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC001473513626 1073996275 /nfs/dbraw/zinc/99/62/75/1073996275.db2.gz CDHCMWFVTDXOAR-NFOMZHRRSA-N 1 0 375.538 3.572 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC001473771053 1074134149 /nfs/dbraw/zinc/13/41/49/1074134149.db2.gz SJEHIKSHHOJXIK-FQEVSTJZSA-N 1 0 380.488 3.739 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001473842969 1074170329 /nfs/dbraw/zinc/17/03/29/1074170329.db2.gz JNOPPKASZOQMEQ-XYLMYFKBSA-N 1 0 381.520 3.698 20 30 GHEDRO CCOC(=O)C1(CC(F)F)CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC001473878857 1074188131 /nfs/dbraw/zinc/18/81/31/1074188131.db2.gz BORXEGWPFQTNND-UHFFFAOYSA-N 1 0 380.435 3.628 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3c(C)cc(C#N)cc3C)C2)c1 ZINC001474068404 1074253039 /nfs/dbraw/zinc/25/30/39/1074253039.db2.gz WCDQZAFGVMUANB-SFHVURJKSA-N 1 0 379.504 3.808 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001474239965 1074305949 /nfs/dbraw/zinc/30/59/49/1074305949.db2.gz NLKIYJCZNGQKLK-OAHLLOKOSA-N 1 0 391.920 3.649 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493512708 1079275262 /nfs/dbraw/zinc/27/52/62/1079275262.db2.gz WEUROQOHUXCESV-CBGDNZLLSA-N 1 0 383.544 3.522 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)cc1OC ZINC001474520897 1074447288 /nfs/dbraw/zinc/44/72/88/1074447288.db2.gz LSFHQYSBLJSQRM-KRWDZBQOSA-N 1 0 398.894 3.953 20 30 GHEDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001474527710 1074450583 /nfs/dbraw/zinc/45/05/83/1074450583.db2.gz QZGBMINLTSGEEX-FQEVSTJZSA-N 1 0 399.542 3.913 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001493908635 1079307599 /nfs/dbraw/zinc/30/75/99/1079307599.db2.gz NISKLHXBKZCMBB-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC001476150220 1075095977 /nfs/dbraw/zinc/09/59/77/1075095977.db2.gz CTCWMAYVQJSIDP-QFIPXVFZSA-N 1 0 395.503 3.910 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001496006257 1079446735 /nfs/dbraw/zinc/44/67/35/1079446735.db2.gz YCTJSBUEDSCQTQ-IAGOWNOFSA-N 1 0 380.540 3.782 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(C)(C#N)CC1 ZINC001496137281 1079457508 /nfs/dbraw/zinc/45/75/08/1079457508.db2.gz IUZXHCRBJVYHJY-QGZVFWFLSA-N 1 0 398.530 3.945 20 30 GHEDRO CC[C@H](c1nnc(N(C)C[C@H](C)C#N)n1CC[NH+]1CCCC1)c1ccccc1 ZINC001496341289 1079465452 /nfs/dbraw/zinc/46/54/52/1079465452.db2.gz JXXPFLFREZPGNL-QUCCMNQESA-N 1 0 380.540 3.512 20 30 GHEDRO CC[C@@H](c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001496420528 1079469477 /nfs/dbraw/zinc/46/94/77/1079469477.db2.gz DZPQKVXJQVLJPD-NOXFTYBFSA-N 1 0 394.567 3.900 20 30 GHEDRO CC[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001497345368 1079493006 /nfs/dbraw/zinc/49/30/06/1079493006.db2.gz MWPNZOGHALIVOO-PKOBYXMFSA-N 1 0 398.530 3.621 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001497894673 1079524805 /nfs/dbraw/zinc/52/48/05/1079524805.db2.gz ZMZXXKZAZSVWMD-QGZVFWFLSA-N 1 0 392.551 3.730 20 30 GHEDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(Br)cc1C#N ZINC001655736183 1126255934 /nfs/dbraw/zinc/25/59/34/1126255934.db2.gz LWQGKOZWYPNQOU-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736788896 600593076 /nfs/dbraw/zinc/59/30/76/600593076.db2.gz HTLIMUHTYOFSFH-JTSKRJEESA-N 1 0 377.488 3.848 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826381540 608520380 /nfs/dbraw/zinc/52/03/80/608520380.db2.gz PMALZXPZKJSSFE-UHFFFAOYSA-N 1 0 388.475 3.714 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823894856 608537738 /nfs/dbraw/zinc/53/77/38/608537738.db2.gz YCBBDILRNFKTBL-QGZVFWFLSA-N 1 0 396.882 3.756 20 30 GHEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434542 608549756 /nfs/dbraw/zinc/54/97/56/608549756.db2.gz ALUFIVSOGLAMMZ-KRWDZBQOSA-N 1 0 389.507 3.800 20 30 GHEDRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)C[C@@H]21 ZINC001164667760 719482821 /nfs/dbraw/zinc/48/28/21/719482821.db2.gz MQRRKAPWYPNGGK-GOTSBHOMSA-N 1 0 396.494 3.806 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4[nH]c(C#N)cc4n2)CC3)cs1 ZINC001164691262 719812355 /nfs/dbraw/zinc/81/23/55/719812355.db2.gz CBWGRUWOEOVSFQ-UHFFFAOYSA-N 1 0 392.532 3.835 20 30 GHEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001164734055 720543764 /nfs/dbraw/zinc/54/37/64/720543764.db2.gz GUWMBFQZMBVQCM-AWEZNQCLSA-N 1 0 398.885 3.668 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164774719 721302322 /nfs/dbraw/zinc/30/23/22/721302322.db2.gz IWHLAQGRZYKYOI-UHFFFAOYSA-N 1 0 395.894 3.716 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Cl)c3C#N)C[C@@H]21 ZINC001165028451 721806064 /nfs/dbraw/zinc/80/60/64/721806064.db2.gz ZBQJAYHKGYVGDA-ZAAXVRCTSA-N 1 0 381.911 3.739 20 30 GHEDRO Cc1nc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164994464 722200227 /nfs/dbraw/zinc/20/02/27/722200227.db2.gz HKCJPMSMUCWJIW-HXUWFJFHSA-N 1 0 385.874 3.694 20 30 GHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000472597113 837397380 /nfs/dbraw/zinc/39/73/80/837397380.db2.gz BDDRQBWICBAMGV-PXNSSMCTSA-N 1 0 379.508 3.877 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)c1cccc(OC)c1 ZINC000043755391 837461448 /nfs/dbraw/zinc/46/14/48/837461448.db2.gz OXKVZGMERSMJSW-UWJYYQICSA-N 1 0 395.503 3.533 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1(C)CCCC1 ZINC000581227070 837486348 /nfs/dbraw/zinc/48/63/48/837486348.db2.gz PSFJLCCMPLZNNV-QGZVFWFLSA-N 1 0 398.551 3.621 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1cccs1 ZINC000581243715 837487063 /nfs/dbraw/zinc/48/70/63/837487063.db2.gz ZCMWUQWSJNQLLX-OXQOHEQNSA-N 1 0 397.519 3.990 20 30 GHEDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000176967576 837685968 /nfs/dbraw/zinc/68/59/68/837685968.db2.gz DIQHUQWSGCWQNE-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCCC3(C#N)CCOCC3)C[C@H]21 ZINC000375611188 837721893 /nfs/dbraw/zinc/72/18/93/837721893.db2.gz ILICYSFKTXEYOZ-GUDVDZBRSA-N 1 0 391.556 3.712 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)O1 ZINC000581842589 837730515 /nfs/dbraw/zinc/73/05/15/837730515.db2.gz RNXDTAVSBJXEEL-HUUCEWRRSA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@@H]1CCN(C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000579704582 834416364 /nfs/dbraw/zinc/41/63/64/834416364.db2.gz DNNUNSHHJKDHRV-LJQANCHMSA-N 1 0 376.504 3.559 20 30 GHEDRO Cc1csc(NC(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)c1C#N ZINC000579727934 834472843 /nfs/dbraw/zinc/47/28/43/834472843.db2.gz CDAKIIXJVLJSKX-UHFFFAOYSA-N 1 0 387.509 3.567 20 30 GHEDRO [NH2+]=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)Nc1cc(F)ccc1F ZINC000262332973 834517356 /nfs/dbraw/zinc/51/73/56/834517356.db2.gz YKTWWFICRPTHJL-QUCCMNQESA-N 1 0 377.410 3.604 20 30 GHEDRO CC[C@@H](C)[N@H+](CCCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000128175857 834531802 /nfs/dbraw/zinc/53/18/02/834531802.db2.gz LMILHQISAGKBON-QGZVFWFLSA-N 1 0 390.487 3.864 20 30 GHEDRO Cc1cccc2oc(CC[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)nc21 ZINC000278761689 834533851 /nfs/dbraw/zinc/53/38/51/834533851.db2.gz XJMAULCXKWGDCN-UHFFFAOYSA-N 1 0 386.459 3.641 20 30 GHEDRO CCOc1cccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278769848 834599021 /nfs/dbraw/zinc/59/90/21/834599021.db2.gz YDMZSDUIIACJLM-UHFFFAOYSA-N 1 0 375.476 3.590 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000430153483 834613901 /nfs/dbraw/zinc/61/39/01/834613901.db2.gz YIFYHWLOOFKWSP-LJQANCHMSA-N 1 0 395.341 3.550 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000329250523 834636564 /nfs/dbraw/zinc/63/65/64/834636564.db2.gz ULJXWLLKEZRZAJ-KRWDZBQOSA-N 1 0 392.931 3.826 20 30 GHEDRO CCCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000430168147 834732026 /nfs/dbraw/zinc/73/20/26/834732026.db2.gz HQPGHQDNYPCJMF-LJQANCHMSA-N 1 0 381.476 3.794 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000471123891 834811493 /nfs/dbraw/zinc/81/14/93/834811493.db2.gz IKQDBPHOJXKWAO-PKTZIBPZSA-N 1 0 388.515 3.513 20 30 GHEDRO N#Cc1ccc(-c2noc(C3(c4ccccc4C(F)(F)F)CC[NH2+]CC3)n2)nc1 ZINC001211492808 834932922 /nfs/dbraw/zinc/93/29/22/834932922.db2.gz FEWSALSROVJYED-UHFFFAOYSA-N 1 0 399.376 3.692 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)s1 ZINC000176976706 837829233 /nfs/dbraw/zinc/82/92/33/837829233.db2.gz SVZQTFQARLXOBO-INIZCTEOSA-N 1 0 377.416 3.506 20 30 GHEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000274753864 835005261 /nfs/dbraw/zinc/00/52/61/835005261.db2.gz BQXRETPDMSHUHH-UHFFFAOYSA-N 1 0 383.536 3.686 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)OCO2)C(=S)NC(C)(C)CC ZINC000274753359 835009647 /nfs/dbraw/zinc/00/96/47/835009647.db2.gz HYKPIGJCGPYULA-UHFFFAOYSA-O 1 0 399.536 3.982 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000120300093 835071000 /nfs/dbraw/zinc/07/10/00/835071000.db2.gz FAPRJPCVBHKALD-UHFFFAOYSA-N 1 0 393.487 3.736 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000433342395 844029068 /nfs/dbraw/zinc/02/90/68/844029068.db2.gz VSYVLRGUFZQNLD-NFBKMPQASA-N 1 0 387.487 3.726 20 30 GHEDRO N#Cc1sccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC001125695857 835279972 /nfs/dbraw/zinc/27/99/72/835279972.db2.gz NAJLIUIEDUUFNS-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC12CCCCC2 ZINC000536180145 835357968 /nfs/dbraw/zinc/35/79/68/835357968.db2.gz LHKIDRRPOUKCJH-UHFFFAOYSA-N 1 0 386.540 3.750 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCCC3)cnc12 ZINC000583995110 835371546 /nfs/dbraw/zinc/37/15/46/835371546.db2.gz FQWGNIWBKONJBF-UHFFFAOYSA-N 1 0 389.459 3.665 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c(-c2ccncc2)n1 ZINC000278566427 835420226 /nfs/dbraw/zinc/42/02/26/835420226.db2.gz CYOALWUBJVYIPE-FQEVSTJZSA-N 1 0 379.508 3.830 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)n(C)n1 ZINC000278576601 835449243 /nfs/dbraw/zinc/44/92/43/835449243.db2.gz XTIRJIATQKGAFV-QKDPSFTKSA-N 1 0 377.536 3.691 20 30 GHEDRO C[N@H+](CCNC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1)C1CCCC1 ZINC000329640989 835505964 /nfs/dbraw/zinc/50/59/64/835505964.db2.gz XMEQFVDYUBAMMS-HNNXBMFYSA-N 1 0 387.553 3.739 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508815608 844061745 /nfs/dbraw/zinc/06/17/45/844061745.db2.gz CEGGPLPHILUECK-MRXNPFEDSA-N 1 0 389.906 3.988 20 30 GHEDRO COc1ccc(C)cc1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278621547 835564559 /nfs/dbraw/zinc/56/45/59/835564559.db2.gz JRLKLRNKMDOTPT-UHFFFAOYSA-N 1 0 375.476 3.508 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@@H](C)CC2)c1=S ZINC000748084844 835577922 /nfs/dbraw/zinc/57/79/22/835577922.db2.gz WAEKIFNZBIZBQA-GOSISDBHSA-N 1 0 377.602 3.708 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000255693559 835582026 /nfs/dbraw/zinc/58/20/26/835582026.db2.gz RUTGQYYCTOBNSQ-SKAIHHOBSA-N 1 0 395.434 3.795 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)c2cc(C#N)ccc2Cl)CCOCC1)c1ccccc1 ZINC000512527729 844069086 /nfs/dbraw/zinc/06/90/86/844069086.db2.gz WZBNONMBLUOVMJ-MRXNPFEDSA-N 1 0 397.906 3.841 20 30 GHEDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000584117239 835658874 /nfs/dbraw/zinc/65/88/74/835658874.db2.gz ZJXOFZBIWLZHOX-WMLDXEAASA-N 1 0 377.554 3.604 20 30 GHEDRO COc1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1OCCCC#N ZINC000179635455 835708572 /nfs/dbraw/zinc/70/85/72/835708572.db2.gz BGWAWTTXIITPIF-SFHVURJKSA-N 1 0 382.460 3.650 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000177064313 835731984 /nfs/dbraw/zinc/73/19/84/835731984.db2.gz RGFQFGZDMOCGIT-MJGOQNOKSA-N 1 0 387.524 3.952 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCC2 ZINC000278663480 835737522 /nfs/dbraw/zinc/73/75/22/835737522.db2.gz NJVBTDVYDQHRNU-VQTJNVASSA-N 1 0 379.508 3.686 20 30 GHEDRO C=C(C)C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1cnn(C(C)C)c1 ZINC000512532561 844084068 /nfs/dbraw/zinc/08/40/68/844084068.db2.gz RYQLPMFMNKVZKE-UHFFFAOYSA-N 1 0 386.565 3.879 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc(OC)c1O ZINC000179744594 835759647 /nfs/dbraw/zinc/75/96/47/835759647.db2.gz TWTQFUGLCXVSOF-UHFFFAOYSA-N 1 0 380.488 3.980 20 30 GHEDRO O=c1[nH]c2ccccc2cc1C=NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000588592109 835843296 /nfs/dbraw/zinc/84/32/96/835843296.db2.gz XXOZKTVAXQEJLP-ZPZBNPFISA-N 1 0 375.472 3.650 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1cccc(C#N)c1 ZINC000134775563 835959551 /nfs/dbraw/zinc/95/95/51/835959551.db2.gz FRAAHTDFOVKYJR-QZTJIDSGSA-N 1 0 376.504 3.514 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000573946092 844109156 /nfs/dbraw/zinc/10/91/56/844109156.db2.gz PENWGIKWQARUGT-JPYJTQIMSA-N 1 0 389.499 3.836 20 30 GHEDRO CN1CCC(C/N=C\c2cc(Br)ccc2O)([NH+]2CCCCC2)CC1 ZINC000255849548 836066979 /nfs/dbraw/zinc/06/69/79/836066979.db2.gz QZXBUVWZFJHKAW-STZFKDTASA-N 1 0 394.357 3.524 20 30 GHEDRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc2n(n1)CCCO2 ZINC000329911110 836068299 /nfs/dbraw/zinc/06/82/99/836068299.db2.gz WEVYMCHBCXNXRT-UHFFFAOYSA-N 1 0 388.899 3.536 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187196228 836104185 /nfs/dbraw/zinc/10/41/85/836104185.db2.gz WOCMGOIOFOBVHX-HXOBKFHXSA-N 1 0 395.503 3.533 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[C@@H](C)C1 ZINC000471240645 836206256 /nfs/dbraw/zinc/20/62/56/836206256.db2.gz AIEFUFKNLABGQA-HRAATJIYSA-N 1 0 399.583 3.692 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000065930043 836251576 /nfs/dbraw/zinc/25/15/76/836251576.db2.gz KIUDKJHNIYGWCY-UHFFFAOYSA-N 1 0 375.516 3.570 20 30 GHEDRO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000513033104 844143484 /nfs/dbraw/zinc/14/34/84/844143484.db2.gz RPUMNKCLNMSUGG-IMFGXOCKSA-N 1 0 375.463 3.732 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000065931209 836253841 /nfs/dbraw/zinc/25/38/41/836253841.db2.gz SDGGUIKYZZYQEQ-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000613388564 836256331 /nfs/dbraw/zinc/25/63/31/836256331.db2.gz BHZWKUPMIPNIPW-DNVCBOLYSA-N 1 0 397.544 3.581 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000548938309 836380518 /nfs/dbraw/zinc/38/05/18/836380518.db2.gz OYFYIXLCLYGBEC-VQTJNVASSA-N 1 0 394.567 3.925 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000414169016 836386618 /nfs/dbraw/zinc/38/66/18/836386618.db2.gz ASNUHOVMJRJJGK-XJKSGUPXSA-N 1 0 391.284 3.962 20 30 GHEDRO N#Cc1cccc(-c2noc([C@H](c3ccc4ccccc4c3)N3CC[C@@H]([NH3+])C3)n2)c1 ZINC001211817899 844158315 /nfs/dbraw/zinc/15/83/15/844158315.db2.gz WXVDSKXXDFCOCN-YADHBBJMSA-N 1 0 395.466 3.884 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000413812551 836399333 /nfs/dbraw/zinc/39/93/33/836399333.db2.gz BYZCCTXXRONKEI-HSZRJFAPSA-N 1 0 390.531 3.819 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000612563913 836410626 /nfs/dbraw/zinc/41/06/26/836410626.db2.gz UQJAVJRASZKAHS-MRXNPFEDSA-N 1 0 393.491 3.940 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000106325075 844181126 /nfs/dbraw/zinc/18/11/26/844181126.db2.gz VGRDRUDJOKXUQE-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO N#Cc1cnc(Cl)cc1N1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001167167085 836762188 /nfs/dbraw/zinc/76/21/88/836762188.db2.gz SSPAFFSRWJEROJ-UHFFFAOYSA-N 1 0 388.656 3.621 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c(F)c(F)cc(F)c1F ZINC000175513608 836874717 /nfs/dbraw/zinc/87/47/17/836874717.db2.gz YLGGWSAANXKKSX-UHFFFAOYSA-N 1 0 388.327 3.979 20 30 GHEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000782655220 836880946 /nfs/dbraw/zinc/88/09/46/836880946.db2.gz RYDCFCHFVQIMTK-HIFRSBDPSA-N 1 0 376.382 3.790 20 30 GHEDRO Cn1cc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180043390 836910355 /nfs/dbraw/zinc/91/03/55/836910355.db2.gz AJXOBXAKUHKJBR-UHFFFAOYSA-N 1 0 399.542 3.885 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000376128639 836977323 /nfs/dbraw/zinc/97/73/23/836977323.db2.gz GDHIONWIQALTMF-UHFFFAOYSA-N 1 0 375.516 3.925 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000510252688 837034039 /nfs/dbraw/zinc/03/40/39/837034039.db2.gz CAJFVCQWOQOKSF-KRWDZBQOSA-N 1 0 387.867 3.908 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CO[C@@H]1CCCc2ccccc21 ZINC000430406929 837072136 /nfs/dbraw/zinc/07/21/36/837072136.db2.gz WDQFZTRYGCQNAR-HSZRJFAPSA-N 1 0 391.515 3.543 20 30 GHEDRO CN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000376168860 837132887 /nfs/dbraw/zinc/13/28/87/837132887.db2.gz YPGCXTDLEJXOTN-BJKOFHAPSA-N 1 0 392.522 3.697 20 30 GHEDRO COc1ccc(OC)c(CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180349333 837168785 /nfs/dbraw/zinc/16/87/85/837168785.db2.gz ORQOITZHUCHOQZ-UHFFFAOYSA-N 1 0 390.487 3.698 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(COc3ccc(F)cc3)cc2)CC1 ZINC000645232534 844252753 /nfs/dbraw/zinc/25/27/53/844252753.db2.gz DZAIDWUMUDAOIG-UHFFFAOYSA-N 1 0 397.494 3.854 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(C#N)ccc1C ZINC000175748581 837287007 /nfs/dbraw/zinc/28/70/07/837287007.db2.gz OHFQUUCODOXLGC-UHFFFAOYSA-N 1 0 393.491 3.661 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)sc2c1CCCC2 ZINC000580248580 837320003 /nfs/dbraw/zinc/32/00/03/837320003.db2.gz OOLLEDGLAXWHBT-XLIONFOSSA-N 1 0 399.560 3.861 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000610272125 837330171 /nfs/dbraw/zinc/33/01/71/837330171.db2.gz ACCPURIBEGYKEN-PUHATCMVSA-N 1 0 389.499 3.616 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)c(C#N)c1C ZINC000180520313 837338731 /nfs/dbraw/zinc/33/87/31/837338731.db2.gz CCGRGGLEIKHRPD-UHFFFAOYSA-N 1 0 388.265 3.748 20 30 GHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccco1 ZINC000580367255 837340691 /nfs/dbraw/zinc/34/06/91/837340691.db2.gz WCBKNFRBOYUQHP-RDTXWAMCSA-N 1 0 378.432 3.665 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180572317 837355794 /nfs/dbraw/zinc/35/57/94/837355794.db2.gz KWCQYPHMFLXZJM-WMZOPIPTSA-N 1 0 382.357 3.720 20 30 GHEDRO COc1ccccc1-c1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000180588147 837372340 /nfs/dbraw/zinc/37/23/40/837372340.db2.gz UBYDLLFEJNIAPC-SFHVURJKSA-N 1 0 399.498 3.735 20 30 GHEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000181156706 837857561 /nfs/dbraw/zinc/85/75/61/837857561.db2.gz DYHWGEWMOJVLCS-KRWDZBQOSA-N 1 0 376.460 3.600 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000547952738 837863525 /nfs/dbraw/zinc/86/35/25/837863525.db2.gz MVDZVVNPHZVEAZ-HXUWFJFHSA-N 1 0 385.895 3.651 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000610281862 837908270 /nfs/dbraw/zinc/90/82/70/837908270.db2.gz SMAZFJJPRKSLKF-IBGZPJMESA-N 1 0 387.443 3.725 20 30 GHEDRO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000261747716 844280256 /nfs/dbraw/zinc/28/02/56/844280256.db2.gz LLUDOTKIWZDFJH-WMLDXEAASA-N 1 0 388.487 3.649 20 30 GHEDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415691171 837993110 /nfs/dbraw/zinc/99/31/10/837993110.db2.gz FWYJODSTTDJYRQ-HNNXBMFYSA-N 1 0 382.512 3.680 20 30 GHEDRO C[NH+]=C(NCc1ccc(F)cc1CSC)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261748727 844294851 /nfs/dbraw/zinc/29/48/51/844294851.db2.gz LOAFGVQRLPZUIQ-KSZLIROESA-N 1 0 379.545 3.557 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415804298 838129879 /nfs/dbraw/zinc/12/98/79/838129879.db2.gz LINNFAFUXATCET-QWHCGFSZSA-N 1 0 382.302 3.605 20 30 GHEDRO CO[C@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@@H](C[NH3+])C1 ZINC000415806095 838131286 /nfs/dbraw/zinc/13/12/86/838131286.db2.gz NSRJPIBYLKAUJD-MSOLQXFVSA-N 1 0 396.516 3.679 20 30 GHEDRO N#CC1(COC(=O)c2ocnc2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000893114816 838140694 /nfs/dbraw/zinc/14/06/94/838140694.db2.gz FUWQRUUHTMLURP-UHFFFAOYSA-N 1 0 393.365 3.656 20 30 GHEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659301891 838237571 /nfs/dbraw/zinc/23/75/71/838237571.db2.gz KWVJPWJEGZCKQZ-NXEZZACHSA-N 1 0 386.311 3.785 20 30 GHEDRO N#Cc1cc(O)cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000614366598 844307215 /nfs/dbraw/zinc/30/72/15/844307215.db2.gz VGGLRCLYNKOILJ-UHFFFAOYSA-N 1 0 383.879 3.559 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000415909698 838266600 /nfs/dbraw/zinc/26/66/00/838266600.db2.gz AMGLYPFRNXLRTP-UHFFFAOYSA-N 1 0 397.910 3.675 20 30 GHEDRO C[N@H+](CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1 ZINC000782901755 838327129 /nfs/dbraw/zinc/32/71/29/838327129.db2.gz VLCIKTHPFDLKNL-UHFFFAOYSA-N 1 0 375.472 3.847 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)sc2c1CCCC2 ZINC000579105555 838378660 /nfs/dbraw/zinc/37/86/60/838378660.db2.gz DKDURRFVQWCSNB-MAUKXSAKSA-N 1 0 387.549 3.718 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1([NH3+])CCCC1 ZINC000659570186 838509087 /nfs/dbraw/zinc/50/90/87/838509087.db2.gz FECVOELFTMIDJF-UHFFFAOYSA-N 1 0 384.293 3.557 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549113723 838563711 /nfs/dbraw/zinc/56/37/11/838563711.db2.gz QNQWLXKOUAJRBT-GHTZIAJQSA-N 1 0 389.421 3.909 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000610343970 838569405 /nfs/dbraw/zinc/56/94/05/838569405.db2.gz XGTIXOPJYZEMJG-SJORKVTESA-N 1 0 392.503 3.718 20 30 GHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000376660089 838612574 /nfs/dbraw/zinc/61/25/74/838612574.db2.gz XGLJNERSUMZZQH-UHFFFAOYSA-N 1 0 375.464 3.789 20 30 GHEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cc(C#N)cs1)C(C)C ZINC000414549961 838619935 /nfs/dbraw/zinc/61/99/35/838619935.db2.gz ILCACXJFQCDZAU-MRXNPFEDSA-N 1 0 376.547 3.992 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C[C@@H]1C(F)(F)F ZINC000893194123 838790909 /nfs/dbraw/zinc/79/09/09/838790909.db2.gz CWSYPYHQDWFLLI-OAGGEKHMSA-N 1 0 384.398 3.567 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000576399238 844366919 /nfs/dbraw/zinc/36/69/19/844366919.db2.gz JWKGKYZLARDLLY-UHFFFAOYSA-N 1 0 388.585 3.843 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC001125872803 838875411 /nfs/dbraw/zinc/87/54/11/838875411.db2.gz VFCNQQYJIYEXBS-UHFFFAOYSA-N 1 0 384.907 3.946 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1Cl)Cc1ccc(F)cc1C ZINC000576399716 844382525 /nfs/dbraw/zinc/38/25/25/844382525.db2.gz RTNSALNJQIBEIN-RHSMWYFYSA-N 1 0 387.886 3.915 20 30 GHEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000414943189 839001946 /nfs/dbraw/zinc/00/19/46/839001946.db2.gz LQTDFENKDBHWPM-YWZLYKJASA-N 1 0 391.475 3.544 20 30 GHEDRO COc1cc(NC(=O)c2cccc(SCC#N)c2)ccc1OCC[NH+](C)C ZINC000416343761 839008981 /nfs/dbraw/zinc/00/89/81/839008981.db2.gz SZNDQNRXBRLCLM-UHFFFAOYSA-N 1 0 385.489 3.504 20 30 GHEDRO N#Cc1ccc(NCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000050024081 839020267 /nfs/dbraw/zinc/02/02/67/839020267.db2.gz XQCBYZYYTYBBFC-HXUWFJFHSA-N 1 0 382.895 3.577 20 30 GHEDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000181594861 839154426 /nfs/dbraw/zinc/15/44/26/839154426.db2.gz XFZQDLHALXJTTI-KRWDZBQOSA-N 1 0 377.488 3.912 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000415083759 839171803 /nfs/dbraw/zinc/17/18/03/839171803.db2.gz NRQZKFFWAVCPOL-KRWDZBQOSA-N 1 0 382.464 3.854 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000415120735 839239939 /nfs/dbraw/zinc/23/99/39/839239939.db2.gz JKKROLYYJIAGBY-IBGZPJMESA-N 1 0 378.476 3.791 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415121870 839243403 /nfs/dbraw/zinc/24/34/03/839243403.db2.gz KZEMLXWRQRHFFD-UZLBHIALSA-N 1 0 378.476 3.647 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415130434 839255090 /nfs/dbraw/zinc/25/50/90/839255090.db2.gz WRWRWBPRJCVODC-JOCHJYFZSA-N 1 0 380.492 3.941 20 30 GHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000415129679 839256700 /nfs/dbraw/zinc/25/67/00/839256700.db2.gz VIKUPKPSUZTMKG-IBGZPJMESA-N 1 0 378.476 3.661 20 30 GHEDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610422457 839270033 /nfs/dbraw/zinc/27/00/33/839270033.db2.gz DCFGIBWRXWSJMZ-UHFFFAOYSA-N 1 0 384.505 3.759 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000561132855 839631082 /nfs/dbraw/zinc/63/10/82/839631082.db2.gz VDGISPJSHPYBBA-QVKFZJNVSA-N 1 0 383.517 3.537 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)cn1C)c1ccc(C(F)(F)F)cc1 ZINC000471583035 839655838 /nfs/dbraw/zinc/65/58/38/839655838.db2.gz SUWFOILFNBVUON-SFHVURJKSA-N 1 0 392.425 3.728 20 30 GHEDRO O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000644423578 839690192 /nfs/dbraw/zinc/69/01/92/839690192.db2.gz APSDMVQMFRPBPF-GWCFXTLKSA-N 1 0 375.284 3.702 20 30 GHEDRO CS[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415403437 839724757 /nfs/dbraw/zinc/72/47/57/839724757.db2.gz SARCXAMZTOJFHQ-HXUWFJFHSA-N 1 0 379.529 3.765 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc2ccccc2n1CC#N ZINC000610445734 839728376 /nfs/dbraw/zinc/72/83/76/839728376.db2.gz IAQBHKPLNDQKJL-IBGZPJMESA-N 1 0 386.499 3.901 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(OC4CCCCC4)CC3)C2=O)cc1 ZINC000579747636 839905182 /nfs/dbraw/zinc/90/51/82/839905182.db2.gz AQEABBFZOHWJIZ-JOCHJYFZSA-N 1 0 381.520 3.867 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377668117 839922491 /nfs/dbraw/zinc/92/24/91/839922491.db2.gz KOIMOAMKYTUDCR-WMZOPIPTSA-N 1 0 388.924 3.637 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3c(C#N)cnc4nc(Cl)ccc43)cc2)CC1 ZINC001167426203 839927891 /nfs/dbraw/zinc/92/78/91/839927891.db2.gz BGUMDDVRINWXMS-UHFFFAOYSA-N 1 0 392.894 3.519 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Cc3cccnc3)CC1)CCC2 ZINC000580731344 840071481 /nfs/dbraw/zinc/07/14/81/840071481.db2.gz FSFGHQNMWGMZDW-UHFFFAOYSA-N 1 0 394.544 3.787 20 30 GHEDRO [NH2+]=C(NCc1ccccc1Cn1cccn1)Nc1ccccc1OC(F)(F)F ZINC000160629015 840140930 /nfs/dbraw/zinc/14/09/30/840140930.db2.gz MJGQPBNWEPOAAY-UHFFFAOYSA-N 1 0 389.381 3.757 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000555548175 861192045 /nfs/dbraw/zinc/19/20/45/861192045.db2.gz IRFJYRZDWURFMQ-LIRRHRJNSA-N 1 0 383.879 3.672 20 30 GHEDRO CCC([NH3+])(CC)CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000418433937 840217345 /nfs/dbraw/zinc/21/73/45/840217345.db2.gz DIGDNGNGRJIOMJ-UHFFFAOYSA-N 1 0 382.483 3.927 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000584577952 840303691 /nfs/dbraw/zinc/30/36/91/840303691.db2.gz CPHGUVZLNIQUGL-YESZJQIVSA-N 1 0 394.450 3.999 20 30 GHEDRO N#Cc1c[nH]c(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1 ZINC000177841335 840331094 /nfs/dbraw/zinc/33/10/94/840331094.db2.gz VTKUNTMGUSUMDU-UHFFFAOYSA-N 1 0 385.830 3.608 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCSc3ccccc3F)CC2)cc1 ZINC000053721197 840354359 /nfs/dbraw/zinc/35/43/59/840354359.db2.gz ILTILOPWOHJWKD-UHFFFAOYSA-N 1 0 397.519 3.914 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511717367 840564424 /nfs/dbraw/zinc/56/44/24/840564424.db2.gz WZTZTQNHYNRYSL-GCJKJVERSA-N 1 0 391.515 3.742 20 30 GHEDRO C=CCC[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccccc1 ZINC000155964118 840593718 /nfs/dbraw/zinc/59/37/18/840593718.db2.gz WMFHNVJMRSRPQC-LJQANCHMSA-N 1 0 380.492 3.676 20 30 GHEDRO [NH2+]=C(NCc1cccc(N2CC=CC2)c1)Nc1ccccc1OC(F)(F)F ZINC000160737696 840608861 /nfs/dbraw/zinc/60/88/61/840608861.db2.gz NDLGPFYUHGUDGS-UHFFFAOYSA-N 1 0 376.382 3.888 20 30 GHEDRO COc1ccc(-c2n[nH]cc2CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000581038882 840620483 /nfs/dbraw/zinc/62/04/83/840620483.db2.gz CUXKVNBYXHWPQS-UHFFFAOYSA-N 1 0 389.503 3.521 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662246 840641076 /nfs/dbraw/zinc/64/10/76/840641076.db2.gz LBVMPZSJMMLNGZ-KPLVRAHFSA-N 1 0 383.536 3.731 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000651543611 840655951 /nfs/dbraw/zinc/65/59/51/840655951.db2.gz RJZLUYZDIWWJBN-SFTDATJTSA-N 1 0 395.551 3.807 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417362518 840769215 /nfs/dbraw/zinc/76/92/15/840769215.db2.gz ADCSYZWPBOHGNF-JLTOFOAXSA-N 1 0 378.432 3.851 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)NCC3CCC(C#N)CC3)CC[N@@H+]2C2CC2)c1 ZINC000581170090 840814567 /nfs/dbraw/zinc/81/45/67/840814567.db2.gz HOMDUESXASMITB-RIBBAFADSA-N 1 0 396.535 3.602 20 30 GHEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000156863270 840821986 /nfs/dbraw/zinc/82/19/86/840821986.db2.gz SHHPXGIFNSABSE-UHFFFAOYSA-N 1 0 392.547 3.753 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000581239753 840924484 /nfs/dbraw/zinc/92/44/84/840924484.db2.gz LDPAXGLKJSCSJU-MSOLQXFVSA-N 1 0 391.393 3.959 20 30 GHEDRO C=CCC[N@@H+](C)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000276079333 840931849 /nfs/dbraw/zinc/93/18/49/840931849.db2.gz AUXQEPZJJGPZLM-UHFFFAOYSA-N 1 0 381.476 3.784 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549476455 841086755 /nfs/dbraw/zinc/08/67/55/841086755.db2.gz KGRRYPNIZMLCQY-DCPHZVHLSA-N 1 0 397.485 3.642 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000660707484 841115690 /nfs/dbraw/zinc/11/56/90/841115690.db2.gz PKMDOUFVURPIBH-UHFFFAOYSA-N 1 0 382.533 3.528 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000573657055 844624122 /nfs/dbraw/zinc/62/41/22/844624122.db2.gz DXOYRSNPJALQJL-QVKFZJNVSA-N 1 0 389.565 3.964 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)C1 ZINC000651699855 841395182 /nfs/dbraw/zinc/39/51/82/841395182.db2.gz JLSRVGDGZIJFQE-HUUCEWRRSA-N 1 0 395.341 3.912 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000661117976 841420829 /nfs/dbraw/zinc/42/08/29/841420829.db2.gz VOJIDSIAOOTFDK-GDBMZVCRSA-N 1 0 387.480 3.987 20 30 GHEDRO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)on2)cc1 ZINC000044566319 841421973 /nfs/dbraw/zinc/42/19/73/841421973.db2.gz FAHNPXXTMASAEU-UHFFFAOYSA-N 1 0 388.471 3.726 20 30 GHEDRO COC1(CC[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCC1 ZINC000549532357 841426953 /nfs/dbraw/zinc/42/69/53/841426953.db2.gz RSNUWPKPCDLFGP-SFHVURJKSA-N 1 0 392.341 3.591 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cnc1N1CCCC[C@H]1C ZINC000329249948 861201575 /nfs/dbraw/zinc/20/15/75/861201575.db2.gz UBEMFTYTLWZNGH-HBFSDRIKSA-N 1 0 385.556 3.873 20 30 GHEDRO O=C(Nc1ccnc(OCC(F)(F)F)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000329248978 861201866 /nfs/dbraw/zinc/20/18/66/861201866.db2.gz WWQWXPUSZWQMIZ-BBRMVZONSA-N 1 0 398.429 3.517 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599434041 861204554 /nfs/dbraw/zinc/20/45/54/861204554.db2.gz PIWAIQQKFFUYDB-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000329256252 861209967 /nfs/dbraw/zinc/20/99/67/861209967.db2.gz BMNGWDIHJSBFOB-WIYYLYMNSA-N 1 0 395.551 3.826 20 30 GHEDRO CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccc(C#N)cc2)cc1 ZINC000045294225 841641169 /nfs/dbraw/zinc/64/11/69/841641169.db2.gz DEQTXHYYAWHMQK-UHFFFAOYSA-N 1 0 388.471 3.886 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000581568114 841679777 /nfs/dbraw/zinc/67/97/77/841679777.db2.gz XWLHSGJVOBVHGF-APWZRJJASA-N 1 0 378.476 3.741 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000045432987 841684129 /nfs/dbraw/zinc/68/41/29/841684129.db2.gz AXBMXLAGDYIFSZ-UHFFFAOYSA-N 1 0 393.453 3.574 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874365 841888736 /nfs/dbraw/zinc/88/87/36/841888736.db2.gz RDLWVPDEKFKZOY-FGTMMUONSA-N 1 0 377.488 3.512 20 30 GHEDRO COc1ccc(O)c(/C=N\CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000255343438 841909233 /nfs/dbraw/zinc/90/92/33/841909233.db2.gz GLQTYYWPMFYAQD-ULJHMMPZSA-N 1 0 382.504 3.891 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000893485381 842022369 /nfs/dbraw/zinc/02/23/69/842022369.db2.gz XAMPQSDJKJKHFY-LPHOPBHVSA-N 1 0 382.533 3.814 20 30 GHEDRO COc1ccc(C[NH2+]C[C@]2(O)CCCc3ccccc32)cc1OCCCC#N ZINC000066906303 842155017 /nfs/dbraw/zinc/15/50/17/842155017.db2.gz NMVJGNGAOSPYJC-HSZRJFAPSA-N 1 0 380.488 3.691 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cc(C#N)cn1C ZINC000561546204 842157689 /nfs/dbraw/zinc/15/76/89/842157689.db2.gz RWWOWMJUBWSACT-JOCHJYFZSA-N 1 0 392.547 3.702 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661782247 842170698 /nfs/dbraw/zinc/17/06/98/842170698.db2.gz WEGFWTVSONVBDE-MSOLQXFVSA-N 1 0 384.549 3.638 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000585754844 842262473 /nfs/dbraw/zinc/26/24/73/842262473.db2.gz FQKISLCGCYYZCP-SJORKVTESA-N 1 0 375.538 3.646 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)O1 ZINC000581842590 842271669 /nfs/dbraw/zinc/27/16/69/842271669.db2.gz RNXDTAVSBJXEEL-LSDHHAIUSA-N 1 0 375.538 3.717 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000161917732 861298327 /nfs/dbraw/zinc/29/83/27/861298327.db2.gz VNEYIAWBVNSVLV-UHFFFAOYSA-N 1 0 381.867 3.679 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)nn1 ZINC000896632102 861303078 /nfs/dbraw/zinc/30/30/78/861303078.db2.gz HIGJEPCAQJTHHJ-UHFFFAOYSA-N 1 0 381.480 3.806 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)on2)c1 ZINC000279039898 842502323 /nfs/dbraw/zinc/50/23/23/842502323.db2.gz ADPWIGXELSLNES-LJQANCHMSA-N 1 0 384.439 3.838 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188187481 842560711 /nfs/dbraw/zinc/56/07/11/842560711.db2.gz QWOSNLWLHHSWEP-QGZVFWFLSA-N 1 0 396.304 3.781 20 30 GHEDRO C=CCOCCNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000652511691 842647620 /nfs/dbraw/zinc/64/76/20/842647620.db2.gz KZGFCIRYSCCNQB-OAQYLSRUSA-N 1 0 385.552 3.521 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccs3)cn2)CC1 ZINC000328854549 842659500 /nfs/dbraw/zinc/65/95/00/842659500.db2.gz XNLYSYOBKLNVJQ-GOSISDBHSA-N 1 0 399.564 3.536 20 30 GHEDRO CC(C)(C#N)CCCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573218 861347430 /nfs/dbraw/zinc/34/74/30/861347430.db2.gz NAOBVVCAFRENTB-LJQANCHMSA-N 1 0 379.342 3.979 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000329375911 861349317 /nfs/dbraw/zinc/34/93/17/861349317.db2.gz OATJGULNPPOMGF-GMISPTPDSA-N 1 0 399.579 3.999 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC#Cc1cccc(F)c1 ZINC000512187670 842838110 /nfs/dbraw/zinc/83/81/10/842838110.db2.gz YLYHMHXLYZSSBB-JOCHJYFZSA-N 1 0 393.506 3.731 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430740436 842912665 /nfs/dbraw/zinc/91/26/65/842912665.db2.gz BUNXOCMPKUGVAO-LBPRGKRZSA-N 1 0 377.510 3.542 20 30 GHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000510589331 843009681 /nfs/dbraw/zinc/00/96/81/843009681.db2.gz FIXNFVJDGGHKGD-QFIPXVFZSA-N 1 0 391.515 3.541 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510589127 843009914 /nfs/dbraw/zinc/00/99/14/843009914.db2.gz DQEAMRVHZVTIKZ-JOCHJYFZSA-N 1 0 391.515 3.541 20 30 GHEDRO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)nc1 ZINC000896650440 861369558 /nfs/dbraw/zinc/36/95/58/861369558.db2.gz HRMRKWIYURJJNQ-KRWDZBQOSA-N 1 0 376.489 3.548 20 30 GHEDRO C[N@H+](CCCOc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279413919 843051998 /nfs/dbraw/zinc/05/19/98/843051998.db2.gz OGTADQQERZVBSU-UHFFFAOYSA-N 1 0 375.476 3.760 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000178500524 861375361 /nfs/dbraw/zinc/37/53/61/861375361.db2.gz XWGHGUCFZIKGLI-KRWDZBQOSA-N 1 0 388.508 3.559 20 30 GHEDRO C[N@H+](CCC(=O)N[C@@H](C#N)c1ccc(Br)cc1)C1CCCCC1 ZINC000548389465 843071089 /nfs/dbraw/zinc/07/10/89/843071089.db2.gz SHPSZDAICICDTI-KRWDZBQOSA-N 1 0 378.314 3.785 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000610581556 843071109 /nfs/dbraw/zinc/07/11/09/843071109.db2.gz SPVLVDQVAORQIH-FDFHNCONSA-N 1 0 378.472 3.872 20 30 GHEDRO N#CCCn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2ccncc2)n1 ZINC000279468028 843074845 /nfs/dbraw/zinc/07/48/45/843074845.db2.gz VCIYIROFKXZWGT-UHFFFAOYSA-N 1 0 382.471 3.895 20 30 GHEDRO CC[C@H](CNC(=O)N1CCCC[C@H]1c1ccnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000329403023 861377728 /nfs/dbraw/zinc/37/77/28/861377728.db2.gz ZNTADVHVRFIFPO-IRLDBZIGSA-N 1 0 395.551 3.698 20 30 GHEDRO O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC000329405454 861379322 /nfs/dbraw/zinc/37/93/22/861379322.db2.gz ZERFXZZJWUUUFR-OAHLLOKOSA-N 1 0 384.484 3.828 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000477762482 843115052 /nfs/dbraw/zinc/11/50/52/843115052.db2.gz VYOSKBNZIZCWTQ-UHFFFAOYSA-N 1 0 381.451 3.817 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1OC ZINC000430873326 843115661 /nfs/dbraw/zinc/11/56/61/843115661.db2.gz RJQRESWKJWMHEK-IBGZPJMESA-N 1 0 380.488 3.745 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000510673244 843167368 /nfs/dbraw/zinc/16/73/68/843167368.db2.gz ACRGNBGJFYDTOK-APWZRJJASA-N 1 0 378.476 3.914 20 30 GHEDRO COC1(c2noc(CC3CC[NH+](CC#Cc4ccc(F)cc4)CC3)n2)CCCC1 ZINC000662376930 843177008 /nfs/dbraw/zinc/17/70/08/843177008.db2.gz INHZELPRXBAFJR-UHFFFAOYSA-N 1 0 397.494 3.931 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cnc2c(cnn2C(C)C)c1)C(C)C ZINC000061353170 861391002 /nfs/dbraw/zinc/39/10/02/861391002.db2.gz GWXIFUSNDVUHGH-LJQANCHMSA-N 1 0 384.528 3.832 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000107897939 843239343 /nfs/dbraw/zinc/23/93/43/843239343.db2.gz WONZWMAKWNGYDL-UHFFFAOYSA-N 1 0 389.908 3.897 20 30 GHEDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1OCCCC#N ZINC000162657027 843293677 /nfs/dbraw/zinc/29/36/77/843293677.db2.gz BOIPDOVNBJVVBF-UHFFFAOYSA-N 1 0 399.535 3.602 20 30 GHEDRO CCC[N@H+](Cc1cc(C#N)ccc1OC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000121594365 843302956 /nfs/dbraw/zinc/30/29/56/843302956.db2.gz GSWDTFTUWDTRDV-UHFFFAOYSA-N 1 0 393.535 3.855 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC000599608472 861406454 /nfs/dbraw/zinc/40/64/54/861406454.db2.gz WJGNDXNDZOWCJX-JQWIXIFHSA-N 1 0 394.319 3.568 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2cccc(CC#N)c2)CCOCC1)c1ccccc1 ZINC000455926415 861407280 /nfs/dbraw/zinc/40/72/80/861407280.db2.gz YNXKKFCRVJRMHG-SFHVURJKSA-N 1 0 392.503 3.774 20 30 GHEDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662556322 843401367 /nfs/dbraw/zinc/40/13/67/843401367.db2.gz PDEKOCRDQRUEET-RYUDHWBXSA-N 1 0 386.311 3.976 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCC[NH2+]1 ZINC000662549748 843409097 /nfs/dbraw/zinc/40/90/97/843409097.db2.gz XHPSUDDGINPSCV-HSZRJFAPSA-N 1 0 375.472 3.526 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(C)(C)C[NH+](C)C ZINC000610659535 843434333 /nfs/dbraw/zinc/43/43/33/843434333.db2.gz WARGJFVRISBKHX-HNNXBMFYSA-N 1 0 381.480 3.843 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000329434509 861419974 /nfs/dbraw/zinc/41/99/74/861419974.db2.gz LFFPPWGJQBBVOC-AWEZNQCLSA-N 1 0 397.313 3.941 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 ZINC000328992208 843519107 /nfs/dbraw/zinc/51/91/07/843519107.db2.gz SQTSONMKWRLQFK-UHFFFAOYSA-N 1 0 387.505 3.964 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418794672 843638482 /nfs/dbraw/zinc/63/84/82/843638482.db2.gz RKYTVWUGSBVEIM-RXVVDRJESA-N 1 0 380.467 3.537 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000413419955 843638843 /nfs/dbraw/zinc/63/88/43/843638843.db2.gz OCEVWQWMENHEMI-RJGXRXQPSA-N 1 0 388.515 3.570 20 30 GHEDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000891914777 843791986 /nfs/dbraw/zinc/79/19/86/843791986.db2.gz BKTMNMQBGUKACJ-YADHBBJMSA-N 1 0 392.503 3.786 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000092504615 843839026 /nfs/dbraw/zinc/83/90/26/843839026.db2.gz MMLWTHDTKUAFQE-UHFFFAOYSA-N 1 0 386.455 3.908 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2c2nc(C)no2)C1 ZINC000329459498 861461979 /nfs/dbraw/zinc/46/19/79/861461979.db2.gz RQMKBLZQPFWXRL-SJORKVTESA-N 1 0 377.533 3.720 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc(OC)c1O ZINC000092480401 843843142 /nfs/dbraw/zinc/84/31/42/843843142.db2.gz UNCOTHXNHROFFR-UHFFFAOYSA-N 1 0 395.503 3.915 20 30 GHEDRO Cc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542102982 843970755 /nfs/dbraw/zinc/97/07/55/843970755.db2.gz ORZCWMYDGPDPDN-UHFFFAOYSA-N 1 0 387.443 3.645 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[C@@H]2C1 ZINC000329471892 861493775 /nfs/dbraw/zinc/49/37/75/861493775.db2.gz ZWDKGDZTJMRBIO-LAUBAEHRSA-N 1 0 376.460 3.922 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000329471612 861494642 /nfs/dbraw/zinc/49/46/42/861494642.db2.gz ZDCDVTVZXAJSQN-YJBOKZPZSA-N 1 0 393.503 3.591 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C#N)cc3F)C2)cc(OC)c1 ZINC000512617725 844776126 /nfs/dbraw/zinc/77/61/26/844776126.db2.gz GNUWSSXCSRKPST-CRAIPNDOSA-N 1 0 383.467 3.640 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(c3nccs3)CC2)C1 ZINC000329474999 861497949 /nfs/dbraw/zinc/49/79/49/861497949.db2.gz SYKCCTBKGITIOX-INIZCTEOSA-N 1 0 393.601 3.516 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](n4ccnc4)C3)sc2C1 ZINC000610944803 844875981 /nfs/dbraw/zinc/87/59/81/844875981.db2.gz BFXMNLNHNSVUDD-JKSUJKDBSA-N 1 0 397.548 3.607 20 30 GHEDRO N#Cc1cccc(OCC[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 ZINC000513210237 845054635 /nfs/dbraw/zinc/05/46/35/845054635.db2.gz OPALXAPEQVPRAY-FQEVSTJZSA-N 1 0 390.405 3.947 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CCC(OC(C)(C)C)CC1 ZINC000261805164 845128465 /nfs/dbraw/zinc/12/84/65/845128465.db2.gz RXDJLQKNATXPTD-UHFFFAOYSA-N 1 0 376.526 3.758 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(OC)c1 ZINC000513244827 845134397 /nfs/dbraw/zinc/13/43/97/845134397.db2.gz VNCRIBYHGBAUCT-NRFANRHFSA-N 1 0 394.515 3.583 20 30 GHEDRO C[C@@H](CCC#N)[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000411287325 845214441 /nfs/dbraw/zinc/21/44/41/845214441.db2.gz YJXONDVRQZWGDY-AWEZNQCLSA-N 1 0 385.405 3.987 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000611556399 845239887 /nfs/dbraw/zinc/23/98/87/845239887.db2.gz VSPNLBUEQUBHMU-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000329508936 861558038 /nfs/dbraw/zinc/55/80/38/861558038.db2.gz XCHMAMDDTASGJK-CTNGQTDRSA-N 1 0 381.524 3.526 20 30 GHEDRO [NH2+]=C(NCc1cccc(CN2CCCC2=O)c1)Nc1cccc2c1CCCC2 ZINC000262429944 845379404 /nfs/dbraw/zinc/37/94/04/845379404.db2.gz DSRWAMJZTHEOJV-UHFFFAOYSA-N 1 0 376.504 3.615 20 30 GHEDRO C=CCN(C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H](C)COC ZINC000664026850 845447758 /nfs/dbraw/zinc/44/77/58/845447758.db2.gz SMDMAEVZMMIWSB-KRWDZBQOSA-N 1 0 393.959 3.785 20 30 GHEDRO COc1ccc(C(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512796746 845547560 /nfs/dbraw/zinc/54/75/60/845547560.db2.gz JCJYNNAXPIIVJX-UHFFFAOYSA-N 1 0 382.435 3.822 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc([C@@H](c3ccc4ccccc4c3)N3CC([NH3+])C3)n2)c1 ZINC001211801066 845552507 /nfs/dbraw/zinc/55/25/07/845552507.db2.gz IDTOVEHVLJAUAF-OAQYLSRUSA-N 1 0 399.429 3.633 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)c(F)c1 ZINC000512812675 845617778 /nfs/dbraw/zinc/61/77/78/845617778.db2.gz XPSUGYNFJSDEMF-UHFFFAOYSA-N 1 0 376.435 3.926 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)C[NH+]1CCCC1 ZINC000513533329 845629338 /nfs/dbraw/zinc/62/93/38/845629338.db2.gz JIVBPRLNOGKCBI-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115349907 845905870 /nfs/dbraw/zinc/90/58/70/845905870.db2.gz RHTIPJLATYJRCF-OAQYLSRUSA-N 1 0 391.515 3.987 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000539211513 845986554 /nfs/dbraw/zinc/98/65/54/845986554.db2.gz UEDXMSHERPBQBO-QFIPXVFZSA-N 1 0 388.515 3.995 20 30 GHEDRO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000511052637 846012252 /nfs/dbraw/zinc/01/22/52/846012252.db2.gz YSUBMWGWVDGKCL-YCRPNKLZSA-N 1 0 383.442 3.548 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000421522323 846310171 /nfs/dbraw/zinc/31/01/71/846310171.db2.gz ZEYPSSAOLFKJFF-UHFFFAOYSA-N 1 0 376.504 3.667 20 30 GHEDRO N#Cc1cc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cnc1C(F)(F)F ZINC000551364857 846343815 /nfs/dbraw/zinc/34/38/15/846343815.db2.gz HLUPGQUNSKCOGU-UHFFFAOYSA-N 1 0 388.393 3.715 20 30 GHEDRO N#Cc1cc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)ccc1F ZINC000551561522 846437746 /nfs/dbraw/zinc/43/77/46/846437746.db2.gz SKSATXOTTZEXOK-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1F ZINC000119873032 846437775 /nfs/dbraw/zinc/43/77/75/846437775.db2.gz MXHISBWGQKCBRI-MRXNPFEDSA-N 1 0 384.430 3.870 20 30 GHEDRO CS(=O)(=O)[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000502821611 846513078 /nfs/dbraw/zinc/51/30/78/846513078.db2.gz HKNXMNCPLCUCIE-JOCHJYFZSA-N 1 0 396.556 3.785 20 30 GHEDRO CC[N@H+](CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CCC(F)(F)F ZINC000419488501 846605903 /nfs/dbraw/zinc/60/59/03/846605903.db2.gz COAZIKFYQLYNFE-KRWDZBQOSA-N 1 0 382.430 3.509 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000367090911 846607641 /nfs/dbraw/zinc/60/76/41/846607641.db2.gz DVZBDUNCIMGWOI-LJQANCHMSA-N 1 0 389.908 3.593 20 30 GHEDRO COc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000501080666 846623031 /nfs/dbraw/zinc/62/30/31/846623031.db2.gz OFPJIULSDLDPOG-DYESRHJHSA-N 1 0 380.488 3.881 20 30 GHEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000501108672 846649849 /nfs/dbraw/zinc/64/98/49/846649849.db2.gz QXCZLLXPQIBIMW-MRXNPFEDSA-N 1 0 394.523 3.599 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000501189413 846722260 /nfs/dbraw/zinc/72/22/60/846722260.db2.gz QEEZAPLFJPSOER-PGRDOPGGSA-N 1 0 378.520 3.872 20 30 GHEDRO Cc1cc(C)cc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000137070897 846859353 /nfs/dbraw/zinc/85/93/53/846859353.db2.gz ZDPZLAJZCQVYMR-UHFFFAOYSA-N 1 0 375.516 3.842 20 30 GHEDRO COc1cc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599819807 861727711 /nfs/dbraw/zinc/72/77/11/861727711.db2.gz QYELKMQBQDWITK-KRWDZBQOSA-N 1 0 396.466 3.692 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)C[N@@H+]1C1CC1 ZINC000329595305 861730476 /nfs/dbraw/zinc/73/04/76/861730476.db2.gz IDVGKFMMIGTVAO-CZUORRHYSA-N 1 0 386.471 3.686 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)cc1C ZINC000271787510 846920250 /nfs/dbraw/zinc/92/02/50/846920250.db2.gz MQNKIFQXBZBRHP-QFIPXVFZSA-N 1 0 379.504 3.654 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)nn1CCC#N ZINC000272115360 846994515 /nfs/dbraw/zinc/99/45/15/846994515.db2.gz RENLLBRFILCOCM-UHFFFAOYSA-N 1 0 394.523 3.659 20 30 GHEDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000501561994 847022521 /nfs/dbraw/zinc/02/25/21/847022521.db2.gz SOWVCCLCPNMYIU-OAHLLOKOSA-N 1 0 391.500 3.755 20 30 GHEDRO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183761801 847037327 /nfs/dbraw/zinc/03/73/27/847037327.db2.gz LQZGBOGSUMZGJU-OAQYLSRUSA-N 1 0 387.487 3.705 20 30 GHEDRO COc1cc(CN2CC[N@H+](C)CC2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000501772286 847166203 /nfs/dbraw/zinc/16/62/03/847166203.db2.gz FCDLRVFWLYVBNV-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511124818 847230222 /nfs/dbraw/zinc/23/02/22/847230222.db2.gz MLCAVXKMJGBTND-NVXWUHKLSA-N 1 0 381.442 3.893 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000501847540 847247013 /nfs/dbraw/zinc/24/70/13/847247013.db2.gz DJFXYZDAVZJOFS-FGZHOGPDSA-N 1 0 381.516 3.871 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc(OC)c1OC ZINC000501860737 847284372 /nfs/dbraw/zinc/28/43/72/847284372.db2.gz GKJBQDYDHNXVDW-UHFFFAOYSA-N 1 0 386.536 3.770 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1C#N ZINC000248582538 861779037 /nfs/dbraw/zinc/77/90/37/861779037.db2.gz WLUYDXCQNWWOKC-BXTJHSDWSA-N 1 0 382.508 3.971 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000501931633 847327579 /nfs/dbraw/zinc/32/75/79/847327579.db2.gz HBQLWHABMVNCAL-QFIPXVFZSA-N 1 0 379.504 3.730 20 30 GHEDRO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000731658111 861781076 /nfs/dbraw/zinc/78/10/76/861781076.db2.gz HHNAOXYMCSSOLY-UHFFFAOYSA-N 1 0 391.500 3.888 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329617794 861781987 /nfs/dbraw/zinc/78/19/87/861781987.db2.gz SSEJNBRHYANBCQ-YRPNKDGESA-N 1 0 385.556 3.835 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccc(C#N)s2)cc1 ZINC000420776017 847422576 /nfs/dbraw/zinc/42/25/76/847422576.db2.gz FDYGTOAVMKIYIH-INIZCTEOSA-N 1 0 382.533 3.994 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(OCC4CC4)cc3)CC2)cc1 ZINC000503196964 847456745 /nfs/dbraw/zinc/45/67/45/847456745.db2.gz GWXZZFFZHGKLBY-UHFFFAOYSA-N 1 0 390.487 3.697 20 30 GHEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430045212 847482949 /nfs/dbraw/zinc/48/29/49/847482949.db2.gz JKBCLGKHIOYMMZ-UHFFFAOYSA-N 1 0 381.432 3.966 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)nn1 ZINC000657454230 847531624 /nfs/dbraw/zinc/53/16/24/847531624.db2.gz IXPBMVNWRPAILX-HDJSIYSDSA-N 1 0 379.277 3.792 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(OC)c1 ZINC000420948445 847570710 /nfs/dbraw/zinc/57/07/10/847570710.db2.gz NYPYSNJDBKRMLS-IAGOWNOFSA-N 1 0 387.442 3.828 20 30 GHEDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000421032522 847632713 /nfs/dbraw/zinc/63/27/13/847632713.db2.gz WVPCBFWDRAXWPE-QFBILLFUSA-N 1 0 394.519 3.758 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc2c(cc1F)CCC(=O)N2)C(C)C ZINC000503407118 847670745 /nfs/dbraw/zinc/67/07/45/847670745.db2.gz NWORBAFLDPUWAP-IBGZPJMESA-N 1 0 388.487 3.531 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000503430706 847689691 /nfs/dbraw/zinc/68/96/91/847689691.db2.gz HNGFYOSBEYXIBY-AWEZNQCLSA-N 1 0 391.924 3.619 20 30 GHEDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000503460814 847714893 /nfs/dbraw/zinc/71/48/93/847714893.db2.gz KUKJEEFBFMIQRB-FRQCXROJSA-N 1 0 375.538 3.594 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@H]2SCC)cc1 ZINC000503459023 847727801 /nfs/dbraw/zinc/72/78/01/847727801.db2.gz INNIZMPJHKNBLT-RBUKOAKNSA-N 1 0 375.538 3.596 20 30 GHEDRO Cc1cc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)nn1-c1cccc(C#N)c1 ZINC000503528777 847760558 /nfs/dbraw/zinc/76/05/58/847760558.db2.gz WISSCXYCIJBBRO-UHFFFAOYSA-N 1 0 399.498 3.941 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000131931340 861829658 /nfs/dbraw/zinc/82/96/58/861829658.db2.gz OCQCPTZOFQTNME-GHTZIAJQSA-N 1 0 391.515 3.885 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000152986226 847852107 /nfs/dbraw/zinc/85/21/07/847852107.db2.gz JRSNYLABLGPRMI-QGZVFWFLSA-N 1 0 381.545 3.983 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(CC)c2)ccc1OC ZINC000414506875 847876015 /nfs/dbraw/zinc/87/60/15/847876015.db2.gz OFNWSIRXSYEZSU-PGRDOPGGSA-N 1 0 385.508 3.734 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)c1cc(C#N)ccn1 ZINC001269441701 847947775 /nfs/dbraw/zinc/94/77/75/847947775.db2.gz SVQAJBFXROIIER-NHCUHLMSSA-N 1 0 376.504 3.710 20 30 GHEDRO COc1cccc(/C(C)=C/C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000176730694 848010878 /nfs/dbraw/zinc/01/08/78/848010878.db2.gz NUAGTNOFFMEUQQ-NBVRZTHBSA-N 1 0 377.488 3.561 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000179959612 861871413 /nfs/dbraw/zinc/87/14/13/861871413.db2.gz BCACHOJSBXPYIV-SFHVURJKSA-N 1 0 380.492 3.627 20 30 GHEDRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000153271980 848325976 /nfs/dbraw/zinc/32/59/76/848325976.db2.gz CZNYPXPTLGBSEQ-GOSISDBHSA-N 1 0 377.488 3.680 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]CCCCC#N)c2ccccc2)c(C)c1 ZINC000179995381 861891663 /nfs/dbraw/zinc/89/16/63/861891663.db2.gz JBKJUKKIBHUBFK-FQEVSTJZSA-N 1 0 385.533 3.607 20 30 GHEDRO Cc1cc(C)nc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000329643072 861892290 /nfs/dbraw/zinc/89/22/90/861892290.db2.gz YPKKGSIIYTZCNA-UXHICEINSA-N 1 0 387.572 3.513 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000153380655 848360614 /nfs/dbraw/zinc/36/06/14/848360614.db2.gz BVMRKIDHQZWPKL-JTSKRJEESA-N 1 0 378.472 3.667 20 30 GHEDRO COc1cc2cccnc2c(N(c2cncc(CC#N)c2)[C@H](C)CCC[NH3+])c1 ZINC001167615709 848371450 /nfs/dbraw/zinc/37/14/50/848371450.db2.gz NSAARRUDHSNJOU-MRXNPFEDSA-N 1 0 375.476 3.970 20 30 GHEDRO N#CCCn1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000092785556 848491674 /nfs/dbraw/zinc/49/16/74/848491674.db2.gz XGOWGLBNGKFZCE-JOCHJYFZSA-N 1 0 377.536 3.914 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000180035397 861916428 /nfs/dbraw/zinc/91/64/28/861916428.db2.gz QELHHVCTIVFCHP-NZQKXSOJSA-N 1 0 377.532 3.926 20 30 GHEDRO C[C@H]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[NH2+]1 ZINC000599938955 861939317 /nfs/dbraw/zinc/93/93/17/861939317.db2.gz KHICIUKCVVRWTJ-KKSFZXQISA-N 1 0 380.467 3.550 20 30 GHEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 ZINC000583017655 848883819 /nfs/dbraw/zinc/88/38/19/848883819.db2.gz QRTZUNZFNZUVTM-UHFFFAOYSA-N 1 0 381.423 3.872 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168745553 861953748 /nfs/dbraw/zinc/95/37/48/861953748.db2.gz WLDZBSWKQPGKOQ-LJQANCHMSA-N 1 0 394.906 3.965 20 30 GHEDRO CCC[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(=O)N1CCc2sccc2C1 ZINC000329662011 861968584 /nfs/dbraw/zinc/96/85/84/861968584.db2.gz OQRRMFZUCZIFAC-INMHGKMJSA-N 1 0 377.554 3.631 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000329668209 861978438 /nfs/dbraw/zinc/97/84/38/861978438.db2.gz RVYHBFOPBGLGBA-UHFFFAOYSA-N 1 0 395.551 3.506 20 30 GHEDRO CC#CCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000458393243 849122109 /nfs/dbraw/zinc/12/21/09/849122109.db2.gz JLCIEWRPSZWCNH-WMZOPIPTSA-N 1 0 381.442 3.753 20 30 GHEDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2)ncn1 ZINC000481680507 862001217 /nfs/dbraw/zinc/00/12/17/862001217.db2.gz ZFKSXHPVRRJAAE-RBBKRZOGSA-N 1 0 375.520 3.937 20 30 GHEDRO C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000780378670 849555586 /nfs/dbraw/zinc/55/55/86/849555586.db2.gz CGDDDLOTCNADJP-SNPRPXQTSA-N 1 0 388.393 3.886 20 30 GHEDRO CC[S@@](=O)[C@@H]1CCC[C@H](NC(NCc2oc3ccc(F)cc3c2C)=[NH+]C)C1 ZINC000155878764 849675012 /nfs/dbraw/zinc/67/50/12/849675012.db2.gz NNOQPUYLSQPNCK-KSRHRBNTSA-N 1 0 393.528 3.625 20 30 GHEDRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)s2)o1 ZINC000503904377 849752684 /nfs/dbraw/zinc/75/26/84/849752684.db2.gz WOELXDNEXVTVLZ-SFHVURJKSA-N 1 0 392.484 3.868 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000604276871 862059649 /nfs/dbraw/zinc/05/96/49/862059649.db2.gz WMNIEUGOXIDFFM-STQMWFEESA-N 1 0 393.331 3.950 20 30 GHEDRO CC(C)[NH+](CCN(C)C(=O)NCCSCc1ccccc1C#N)C(C)C ZINC000503998858 849830664 /nfs/dbraw/zinc/83/06/64/849830664.db2.gz HXCAXYVDTKNOLC-UHFFFAOYSA-N 1 0 376.570 3.552 20 30 GHEDRO CC1(C)C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2cc(N)ccc2O1 ZINC000423438159 849931489 /nfs/dbraw/zinc/93/14/89/849931489.db2.gz MQZVJLNNNIQHBE-QFIPXVFZSA-N 1 0 390.531 3.997 20 30 GHEDRO COCC1(C#N)CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425260000 849951025 /nfs/dbraw/zinc/95/10/25/849951025.db2.gz ZIIFMYDZLFRLFW-UHFFFAOYSA-N 1 0 390.281 3.762 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C ZINC000514547674 849990630 /nfs/dbraw/zinc/99/06/30/849990630.db2.gz FAEFACMFBCNJGL-QGZVFWFLSA-N 1 0 398.334 3.747 20 30 GHEDRO N#Cc1cccc(C2(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)CC2)c1 ZINC000435030457 850012424 /nfs/dbraw/zinc/01/24/24/850012424.db2.gz RYHQVBBODHUGJM-UHFFFAOYSA-N 1 0 377.463 3.510 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000518749613 850055325 /nfs/dbraw/zinc/05/53/25/850055325.db2.gz KXNWJYPXTXOPLG-UHFFFAOYSA-N 1 0 382.533 3.995 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000600473113 862085875 /nfs/dbraw/zinc/08/58/75/862085875.db2.gz QTWHIBGMRJPCFK-GOSISDBHSA-N 1 0 376.287 3.827 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000486812635 850119287 /nfs/dbraw/zinc/11/92/87/850119287.db2.gz XOUNWBYGXASJIT-PGRDOPGGSA-N 1 0 391.515 3.880 20 30 GHEDRO CC[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1C(F)(F)F ZINC000439638711 850201650 /nfs/dbraw/zinc/20/16/50/850201650.db2.gz WMOJBSNMMQHVFR-YJBOKZPZSA-N 1 0 391.393 3.551 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424112679 850226909 /nfs/dbraw/zinc/22/69/09/850226909.db2.gz KYTFSLQZUVWCGU-VQTJNVASSA-N 1 0 391.519 3.853 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000514758950 850255373 /nfs/dbraw/zinc/25/53/73/850255373.db2.gz RSPAIIJKBOCBLV-UHFFFAOYSA-N 1 0 387.531 3.925 20 30 GHEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000518910942 850317284 /nfs/dbraw/zinc/31/72/84/850317284.db2.gz MQOINQXCDOKJIZ-FQEVSTJZSA-N 1 0 392.503 3.890 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000486973879 850324338 /nfs/dbraw/zinc/32/43/38/850324338.db2.gz NXWUIEAURNDKSM-SFHVURJKSA-N 1 0 383.458 3.890 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2)nc1 ZINC000518916381 850348832 /nfs/dbraw/zinc/34/88/32/850348832.db2.gz DGUCSAKKSUBTPO-UHFFFAOYSA-N 1 0 398.466 3.534 20 30 GHEDRO [NH2+]=C(NCc1csc(Br)c1)Nc1ccc2c(c1)OCCCO2 ZINC000262000473 850372438 /nfs/dbraw/zinc/37/24/38/850372438.db2.gz PLRJADWRCXFHGX-UHFFFAOYSA-N 1 0 382.283 3.599 20 30 GHEDRO COc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1OCc1cccnc1 ZINC000174559157 850424789 /nfs/dbraw/zinc/42/47/89/850424789.db2.gz OTDGSCIAJDWPDK-UHFFFAOYSA-N 1 0 389.455 3.709 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027574185 850425540 /nfs/dbraw/zinc/42/55/40/850425540.db2.gz FTNLTLGJDPXSCC-UHFFFAOYSA-N 1 0 383.473 3.732 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)Cc1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000518976147 850444593 /nfs/dbraw/zinc/44/45/93/850444593.db2.gz WBWLTKGCTKHYNO-GOSISDBHSA-N 1 0 399.560 3.887 20 30 GHEDRO COC(=O)[C@@H](CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000425393900 850664933 /nfs/dbraw/zinc/66/49/33/850664933.db2.gz JQUOQDZJTOYNEJ-QFIPXVFZSA-N 1 0 378.472 3.748 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000515152445 850736954 /nfs/dbraw/zinc/73/69/54/850736954.db2.gz BOFGRWRXJGKDKQ-KRWDZBQOSA-N 1 0 398.334 3.747 20 30 GHEDRO C=CCC[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000664497385 850764682 /nfs/dbraw/zinc/76/46/82/850764682.db2.gz RQWRLMNYUDQUCT-GOTSBHOMSA-N 1 0 393.531 3.760 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](CCO)C2CCCC2)cc1OC ZINC000505283530 850787788 /nfs/dbraw/zinc/78/77/88/850787788.db2.gz ORWLYWISAVGIDC-UHFFFAOYSA-N 1 0 384.314 3.759 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000604445980 862185893 /nfs/dbraw/zinc/18/58/93/862185893.db2.gz SKHXMEWNDGBLBZ-TWWGPRNNSA-N 1 0 383.536 3.825 20 30 GHEDRO CN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440252462 850985029 /nfs/dbraw/zinc/98/50/29/850985029.db2.gz FMAVNZUNYFUIFI-VXKWHMMOSA-N 1 0 376.504 3.947 20 30 GHEDRO CC[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000505418040 851083710 /nfs/dbraw/zinc/08/37/10/851083710.db2.gz ZVUFGRWHMPFSSQ-JOCHJYFZSA-N 1 0 393.506 3.928 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)ccn1)c1ccc(C(F)(F)F)cc1 ZINC000488046071 851104576 /nfs/dbraw/zinc/10/45/76/851104576.db2.gz JUPQOVKALMIUAL-GOSISDBHSA-N 1 0 390.409 3.785 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415019315 851141042 /nfs/dbraw/zinc/14/10/42/851141042.db2.gz HZBCJPQAYOGOFK-JOCHJYFZSA-N 1 0 376.460 3.876 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000488142366 851199136 /nfs/dbraw/zinc/19/91/36/851199136.db2.gz HXPUYXIXWXZNRR-UHFFFAOYSA-N 1 0 386.446 3.832 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cccc(F)c1C#N ZINC000428312006 862217075 /nfs/dbraw/zinc/21/70/75/862217075.db2.gz USKLKKDXBAOOGR-UHFFFAOYSA-N 1 0 378.245 3.802 20 30 GHEDRO C=CCn1c(=O)c2c(nc1SCCC[NH+]1CCCC1)sc1c2CCC1 ZINC000436129206 851235717 /nfs/dbraw/zinc/23/57/17/851235717.db2.gz IPESXWAKGGBZAO-UHFFFAOYSA-N 1 0 375.563 3.711 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000436135864 851248838 /nfs/dbraw/zinc/24/88/38/851248838.db2.gz ROMBEVZARIUYAH-UHFFFAOYSA-N 1 0 379.382 3.683 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1 ZINC000550064160 851340847 /nfs/dbraw/zinc/34/08/47/851340847.db2.gz XMUCLAXFUATOIG-OFNKIYASSA-N 1 0 385.552 3.669 20 30 GHEDRO O=C(C[NH2+][C@@H]1c2ccccc2CC12CCOCC2)Nc1nc2c(s1)CCC2 ZINC000329727001 862240987 /nfs/dbraw/zinc/24/09/87/862240987.db2.gz CGMFPOLUVBMMBT-LJQANCHMSA-N 1 0 383.517 3.904 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520865 862242145 /nfs/dbraw/zinc/24/21/45/862242145.db2.gz ZQDKWJWAVRUZRQ-ZNLUXHQJSA-N 1 0 377.488 3.985 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)c3cccc(C#N)c3)cc2)C1 ZINC000515759248 851442236 /nfs/dbraw/zinc/44/22/36/851442236.db2.gz DZXRBQHPUQVSBN-HDICACEKSA-N 1 0 397.544 3.515 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)c(OC)c1 ZINC000515833680 851539013 /nfs/dbraw/zinc/53/90/13/851539013.db2.gz MASVWYPFDQMRBB-MSOLQXFVSA-N 1 0 385.529 3.643 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000111389034 851666230 /nfs/dbraw/zinc/66/62/30/851666230.db2.gz AMAOADQBEDXREE-LJQANCHMSA-N 1 0 382.895 3.585 20 30 GHEDRO CN(C(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1)C1(C#N)CCCCC1 ZINC000101559093 851679591 /nfs/dbraw/zinc/67/95/91/851679591.db2.gz WAQBAEMEWBQRDC-UHFFFAOYSA-N 1 0 394.519 3.891 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000108508155 851799711 /nfs/dbraw/zinc/79/97/11/851799711.db2.gz GRSLAFUVHHLADL-LJQANCHMSA-N 1 0 376.460 3.956 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000604537589 862288771 /nfs/dbraw/zinc/28/87/71/862288771.db2.gz JPTMFQCGXGCLFS-QGZVFWFLSA-N 1 0 395.528 3.822 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438070660 851985793 /nfs/dbraw/zinc/98/57/93/851985793.db2.gz HWLAVFUCFWYTSW-QFIPXVFZSA-N 1 0 376.504 3.820 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)C[C@H]1[NH+]1CCCC1 ZINC000329779464 862316919 /nfs/dbraw/zinc/31/69/19/862316919.db2.gz LXXIEHIAAZUQFK-UTRMSSBJSA-N 1 0 387.549 3.582 20 30 GHEDRO CCn1c2ccccc2nc1[C@H]1CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000329786792 862320992 /nfs/dbraw/zinc/32/09/92/862320992.db2.gz YEFKUNIZHJYZAJ-HXUWFJFHSA-N 1 0 383.540 3.634 20 30 GHEDRO CC[N@H+](CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CCC(F)(F)F ZINC000425969315 852177358 /nfs/dbraw/zinc/17/73/58/852177358.db2.gz WMECNMMZASKDLD-UHFFFAOYSA-N 1 0 382.430 3.507 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(OC(F)F)cc2)C(=S)NC2CCC2)cc1 ZINC000292411038 852214145 /nfs/dbraw/zinc/21/41/45/852214145.db2.gz YQARKTFHBLMZKJ-UHFFFAOYSA-O 1 0 391.463 3.965 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000516237833 852310431 /nfs/dbraw/zinc/31/04/31/852310431.db2.gz NTXRKLPUXFICPT-FPWFTKFVSA-N 1 0 389.927 3.802 20 30 GHEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccsc1 ZINC000507093644 852538005 /nfs/dbraw/zinc/53/80/05/852538005.db2.gz MOHZFLJXOAVASZ-QGZVFWFLSA-N 1 0 388.443 3.906 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000329844956 862367219 /nfs/dbraw/zinc/36/72/19/862367219.db2.gz XVOJNFQEICSBDV-VSKRKVRLSA-N 1 0 399.579 3.921 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(OC)c1 ZINC000029178119 852583443 /nfs/dbraw/zinc/58/34/43/852583443.db2.gz GNBBIDAFWRVRCG-OAQYLSRUSA-N 1 0 394.515 3.756 20 30 GHEDRO CC[C@H](C)Oc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000426083746 852648447 /nfs/dbraw/zinc/64/84/47/852648447.db2.gz DGXDOFNBFUFXPU-SFHVURJKSA-N 1 0 379.504 3.940 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000329861610 862379422 /nfs/dbraw/zinc/37/94/22/862379422.db2.gz XZBUFDNKRURDQG-KRWDZBQOSA-N 1 0 387.524 3.601 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(OC)c1O ZINC000506311937 852671403 /nfs/dbraw/zinc/67/14/03/852671403.db2.gz YVIVUFIMJKYCAK-IBGZPJMESA-N 1 0 380.488 3.980 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427122206 852752594 /nfs/dbraw/zinc/75/25/94/852752594.db2.gz ARSYILVFINIAFA-NVXWUHKLSA-N 1 0 395.341 3.596 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414944583 852772731 /nfs/dbraw/zinc/77/27/31/852772731.db2.gz HBJLIQKSHSOLDH-DZGCQCFKSA-N 1 0 383.330 3.643 20 30 GHEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000481847868 862393172 /nfs/dbraw/zinc/39/31/72/862393172.db2.gz LSKUUACQGPIOGR-WBVHZDCISA-N 1 0 394.357 3.710 20 30 GHEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000481847416 862393498 /nfs/dbraw/zinc/39/34/98/862393498.db2.gz LSKUUACQGPIOGR-DOTOQJQBSA-N 1 0 394.357 3.710 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)CC1 ZINC000490204068 852811437 /nfs/dbraw/zinc/81/14/37/852811437.db2.gz SMCZMCBPDJEUNF-UHFFFAOYSA-N 1 0 398.551 3.783 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC([NH+]3CCC3)CC2)s1 ZINC000912871049 852832873 /nfs/dbraw/zinc/83/28/73/852832873.db2.gz KSMKSFLCJPTRSF-UHFFFAOYSA-N 1 0 385.986 3.535 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000058217216 862402325 /nfs/dbraw/zinc/40/23/25/862402325.db2.gz YFPLQDCTQBBJTI-FQEVSTJZSA-N 1 0 380.492 3.908 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414953254 852861199 /nfs/dbraw/zinc/86/11/99/852861199.db2.gz JMOBBJDLPDQZHS-XJKSGUPXSA-N 1 0 383.330 3.500 20 30 GHEDRO CSc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000894330057 852868508 /nfs/dbraw/zinc/86/85/08/852868508.db2.gz USZDZDLIBDNVQX-UHFFFAOYSA-N 1 0 379.529 3.809 20 30 GHEDRO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000438814343 852876612 /nfs/dbraw/zinc/87/66/12/852876612.db2.gz ORZGIURQGGNVEG-KRWDZBQOSA-N 1 0 396.922 3.919 20 30 GHEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000507409355 852881191 /nfs/dbraw/zinc/88/11/91/852881191.db2.gz WHCAHCBUEUJIPG-YVHKJVDXSA-N 1 0 377.488 3.844 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)nc1 ZINC000912926414 852916274 /nfs/dbraw/zinc/91/62/74/852916274.db2.gz JZDXNSHWDIUONF-UHFFFAOYSA-N 1 0 388.515 3.959 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427271533 852920885 /nfs/dbraw/zinc/92/08/85/852920885.db2.gz GHPHAYYSVUEKRB-UHFFFAOYSA-N 1 0 393.560 3.829 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000669053217 852950366 /nfs/dbraw/zinc/95/03/66/852950366.db2.gz AQDGLSYBIRDEKM-PMACEKPBSA-N 1 0 397.592 3.785 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000507486157 852966042 /nfs/dbraw/zinc/96/60/42/852966042.db2.gz ONTCPOZDQNYCDL-HZPDHXFCSA-N 1 0 383.517 3.975 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000507486159 852966084 /nfs/dbraw/zinc/96/60/84/852966084.db2.gz ONTCPOZDQNYCDL-JKSUJKDBSA-N 1 0 383.517 3.975 20 30 GHEDRO C[C@@]1(CNC(=O)CSCc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000490522996 853072537 /nfs/dbraw/zinc/07/25/37/853072537.db2.gz WQMJJXYXJDSIKA-QHCPKHFHSA-N 1 0 393.556 3.962 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000151152515 853100770 /nfs/dbraw/zinc/10/07/70/853100770.db2.gz KETLMCMFXQYUOO-LBPRGKRZSA-N 1 0 375.831 3.866 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[C@H](C#N)C3)C2=O)ccc1Br ZINC000329923884 862428523 /nfs/dbraw/zinc/42/85/23/862428523.db2.gz HGAARQONHWDVFZ-ZQIUZPCESA-N 1 0 376.298 3.535 20 30 GHEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N[C@H]1CCCc2occc21 ZINC000329926512 862429784 /nfs/dbraw/zinc/42/97/84/862429784.db2.gz WFUAPPPUAZUTAG-XUJLQICISA-N 1 0 385.430 3.966 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)N2CCOCC2)o1 ZINC000507652446 853139021 /nfs/dbraw/zinc/13/90/21/853139021.db2.gz WKLRFYFOMIAVGS-MHIUNMELSA-N 1 0 393.531 3.955 20 30 GHEDRO C=CC[C@@H](C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000427475335 853139957 /nfs/dbraw/zinc/13/99/57/853139957.db2.gz COKKDOWPDHGXNJ-OAQYLSRUSA-N 1 0 394.515 3.538 20 30 GHEDRO C=CCOc1c(Br)cc(CNC[C@@H](CC)[NH+]2CCCC2)cc1OC ZINC000518269841 853143086 /nfs/dbraw/zinc/14/30/86/853143086.db2.gz OQMWCCVPPDVYGA-MRXNPFEDSA-N 1 0 397.357 3.987 20 30 GHEDRO CC(=NNc1ccc(Br)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000732712004 862440772 /nfs/dbraw/zinc/44/07/72/862440772.db2.gz NLZIMEPDVIJFSD-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000894859666 853242084 /nfs/dbraw/zinc/24/20/84/853242084.db2.gz YOIIYOGRRVLCPF-HKBOAZHASA-N 1 0 382.552 3.916 20 30 GHEDRO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000729477426 853268463 /nfs/dbraw/zinc/26/84/63/853268463.db2.gz NHEXWVFAWXWLFT-IBGZPJMESA-N 1 0 379.504 3.813 20 30 GHEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000282487652 862449332 /nfs/dbraw/zinc/44/93/32/862449332.db2.gz XHQMJSCEUXZDOW-MQBCKMQZSA-N 1 0 383.945 3.619 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000437631707 853338281 /nfs/dbraw/zinc/33/82/81/853338281.db2.gz SHTXGNISMJLQQJ-FCHUYYIVSA-N 1 0 385.552 3.699 20 30 GHEDRO C[NH+]=C(NCc1cccc(-c2ccccn2)c1)N1CCC[C@]2(CCCOC2)C1 ZINC000261976590 853377524 /nfs/dbraw/zinc/37/75/24/853377524.db2.gz NQRQJKPCDLMZEN-QHCPKHFHSA-N 1 0 378.520 3.717 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000437655285 853383074 /nfs/dbraw/zinc/38/30/74/853383074.db2.gz XVNOQJRROJDTIK-DWLFOUALSA-N 1 0 385.552 3.699 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)c1C#N ZINC000491172477 853478921 /nfs/dbraw/zinc/47/89/21/853478921.db2.gz FKYZRDCLCXKBHU-HXUWFJFHSA-N 1 0 376.504 3.695 20 30 GHEDRO [NH3+]CC[C@@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)F ZINC000414991309 853488362 /nfs/dbraw/zinc/48/83/62/853488362.db2.gz PECNZJDJHFUDDV-ZYHUDNBSSA-N 1 0 380.279 3.631 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC(C)C)cc1 ZINC000055009686 853634359 /nfs/dbraw/zinc/63/43/59/853634359.db2.gz ABKFLFGHGKNVSI-UHFFFAOYSA-O 1 0 399.536 3.635 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000156324892 853651880 /nfs/dbraw/zinc/65/18/80/853651880.db2.gz OLDPFRZGGKQBIN-IBGZPJMESA-N 1 0 379.287 3.783 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729481826 853651847 /nfs/dbraw/zinc/65/18/47/853651847.db2.gz YLLFDTWVOYZGCY-VQIMIIECSA-N 1 0 386.430 3.852 20 30 GHEDRO Cc1c2ccccc2sc1C(=O)C(C(=S)NC(C)C)[n+]1cccc(CO)c1 ZINC000044557122 853657376 /nfs/dbraw/zinc/65/73/76/853657376.db2.gz ZJOXFGBQLAXJMD-UHFFFAOYSA-O 1 0 399.561 3.926 20 30 GHEDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000329993078 862488010 /nfs/dbraw/zinc/48/80/10/862488010.db2.gz LAFZGSWDFDJBDP-LBXVMSDZSA-N 1 0 387.524 3.772 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000517335257 853684335 /nfs/dbraw/zinc/68/43/35/853684335.db2.gz KTAWNWYBUZRGDE-MRXNPFEDSA-N 1 0 381.451 3.950 20 30 GHEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571040236 853701981 /nfs/dbraw/zinc/70/19/81/853701981.db2.gz XWNFAORKFIJQFL-ZDUSSCGKSA-N 1 0 397.327 3.860 20 30 GHEDRO C=CCn1c([C@@H]2CCOC2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000508868774 853813990 /nfs/dbraw/zinc/81/39/90/853813990.db2.gz WUMHGGRABHLTDK-HXUWFJFHSA-N 1 0 389.588 3.552 20 30 GHEDRO COCCOc1cc2c(cc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)OCO2 ZINC000507734306 853859910 /nfs/dbraw/zinc/85/99/10/853859910.db2.gz UYKRWAXGSMDTJN-UHFFFAOYSA-N 1 0 396.487 3.970 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000520132012 853864847 /nfs/dbraw/zinc/86/48/47/853864847.db2.gz CJEQYYBBJODPMB-DYESRHJHSA-N 1 0 388.512 3.803 20 30 GHEDRO CC(C)N(CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Br)ccc1F ZINC000520174245 853932447 /nfs/dbraw/zinc/93/24/47/853932447.db2.gz ZZMYNHVZWLQRMR-GOSISDBHSA-N 1 0 396.304 3.607 20 30 GHEDRO C[NH+](C)Cc1cc(-c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)ccc1F ZINC000571563703 853950263 /nfs/dbraw/zinc/95/02/63/853950263.db2.gz ZOHADWOSJDNQTO-QGZVFWFLSA-N 1 0 375.407 3.659 20 30 GHEDRO COc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000045004276 853996745 /nfs/dbraw/zinc/99/67/45/853996745.db2.gz NYZUYIGQRNGXOC-HXUWFJFHSA-N 1 0 393.487 3.788 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000520268264 854018987 /nfs/dbraw/zinc/01/89/87/854018987.db2.gz FGIXTFWIVJOMCD-FQEVSTJZSA-N 1 0 393.535 3.685 20 30 GHEDRO N#Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000588001177 854065761 /nfs/dbraw/zinc/06/57/61/854065761.db2.gz ZJNVICZSVICPMV-UTKZUKDTSA-N 1 0 391.475 3.540 20 30 GHEDRO CC[C@@H](C)n1ncc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)c1C ZINC000330058411 862538950 /nfs/dbraw/zinc/53/89/50/862538950.db2.gz YXMBEAALUQLAJW-MRXNPFEDSA-N 1 0 397.523 3.577 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000185985990 862539640 /nfs/dbraw/zinc/53/96/40/862539640.db2.gz JPDMPNZUZMUYGS-FCHUYYIVSA-N 1 0 398.528 3.772 20 30 GHEDRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000133411803 862541248 /nfs/dbraw/zinc/54/12/48/862541248.db2.gz RFCVEUFWJPGJPM-QFBILLFUSA-N 1 0 385.533 3.521 20 30 GHEDRO C=C(C)CN(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000458866952 854261417 /nfs/dbraw/zinc/26/14/17/854261417.db2.gz BISRJZQDLKPHFV-OAQYLSRUSA-N 1 0 385.552 3.523 20 30 GHEDRO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)C1 ZINC000330079486 862559070 /nfs/dbraw/zinc/55/90/70/862559070.db2.gz IPQFEHAEQLBTSQ-QGZVFWFLSA-N 1 0 377.573 3.906 20 30 GHEDRO N#CC1(CC(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCOCC1 ZINC000894984664 854362589 /nfs/dbraw/zinc/36/25/89/854362589.db2.gz CKMIYWDDZILFQU-UHFFFAOYSA-N 1 0 395.425 3.950 20 30 GHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CCCCCC#N)CC2)c1C ZINC000588753267 854422916 /nfs/dbraw/zinc/42/29/16/854422916.db2.gz MMGCOPPSEYWAIL-UHFFFAOYSA-N 1 0 386.540 3.604 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000328659791 854493123 /nfs/dbraw/zinc/49/31/23/854493123.db2.gz UEKGCZNGYRFBON-SFHVURJKSA-N 1 0 377.492 3.949 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3nccn3-c3ccccc3)C2)CC1 ZINC000328755236 854529181 /nfs/dbraw/zinc/52/91/81/854529181.db2.gz SSMHJFVWOMNQMA-LJQANCHMSA-N 1 0 381.524 3.862 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cn21 ZINC000328754895 854529474 /nfs/dbraw/zinc/52/94/74/854529474.db2.gz SNECWTILVWHRHK-QZTJIDSGSA-N 1 0 398.555 3.985 20 30 GHEDRO O=C(N[C@H]1CC[C@H](O)CC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000328758404 854531058 /nfs/dbraw/zinc/53/10/58/854531058.db2.gz VSLDETZMLSVKCP-MEMLXQNLSA-N 1 0 385.552 3.725 20 30 GHEDRO Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]c1cnn(CC(C)C)c1C(F)F ZINC000328826493 854552600 /nfs/dbraw/zinc/55/26/00/854552600.db2.gz HZXYPKXSALQSAG-AWEZNQCLSA-N 1 0 380.443 3.692 20 30 GHEDRO O=C(CCN1C(=O)CSc2ccccc21)NC1CC[NH+](C2CCCC2)CC1 ZINC000330104144 862578509 /nfs/dbraw/zinc/57/85/09/862578509.db2.gz GUFOKHMJZJHISW-UHFFFAOYSA-N 1 0 387.549 3.879 20 30 GHEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@@H]1CCCC12CCOCC2 ZINC000328866581 854586118 /nfs/dbraw/zinc/58/61/18/854586118.db2.gz ZULZUZXXVADKQK-GOSISDBHSA-N 1 0 395.613 3.591 20 30 GHEDRO CCOc1cc2c(cc1NC(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000328867918 854587407 /nfs/dbraw/zinc/58/74/07/854587407.db2.gz OLMRLAZMOFNDNX-WBVHZDCISA-N 1 0 387.524 3.618 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)[C@@H]1c1cccs1 ZINC000328882694 854596425 /nfs/dbraw/zinc/59/64/25/854596425.db2.gz MWPSWNFILVQVOH-OHDICMOHSA-N 1 0 390.553 3.532 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)[NH+](C)C)cc1 ZINC000328947127 854612273 /nfs/dbraw/zinc/61/22/73/854612273.db2.gz MMMJGSNJSOGSIY-ZCNNSNEGSA-N 1 0 386.540 3.597 20 30 GHEDRO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328947246 854612650 /nfs/dbraw/zinc/61/26/50/854612650.db2.gz GTGVDBXLERBOAT-JTWUUNPKSA-N 1 0 378.538 3.637 20 30 GHEDRO COc1ccc(C[C@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)c([N+](=O)[O-])c1 ZINC001170313546 881344320 /nfs/dbraw/zinc/34/43/20/881344320.db2.gz OIQVCIOQSJBIHN-ZDUSSCGKSA-N 1 0 379.416 3.799 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)CC2)nc1 ZINC000589507247 854895593 /nfs/dbraw/zinc/89/55/93/854895593.db2.gz AQWKKDRBGQEAIA-UHFFFAOYSA-N 1 0 385.393 3.602 20 30 GHEDRO CCN(CC)C(=O)N1CCC(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000330157816 862623059 /nfs/dbraw/zinc/62/30/59/862623059.db2.gz PRANXEBOENJRRW-UHFFFAOYSA-N 1 0 378.561 3.524 20 30 GHEDRO C=CCCC(C)(C)NC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000665031968 854968034 /nfs/dbraw/zinc/96/80/34/854968034.db2.gz VIAGNYGEPOMENR-UHFFFAOYSA-N 1 0 386.540 3.653 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000589643732 855087042 /nfs/dbraw/zinc/08/70/42/855087042.db2.gz CLKMWJNONWJPLI-FXAWDEMLSA-N 1 0 378.524 3.559 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000553510821 855089946 /nfs/dbraw/zinc/08/99/46/855089946.db2.gz KOSLGVSCUZXBSN-YWZLYKJASA-N 1 0 392.503 3.577 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000330186244 862644727 /nfs/dbraw/zinc/64/47/27/862644727.db2.gz RXEZXZUQYDMFNB-PDGJWGCVSA-N 1 0 385.552 3.594 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+][C@H]2CCc3cc(C#N)ccc32)c(OC)cc1Cl ZINC000591764861 855196482 /nfs/dbraw/zinc/19/64/82/855196482.db2.gz MEWYLUYSJAKNOQ-KRWDZBQOSA-N 1 0 399.878 3.835 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000106243407 855201726 /nfs/dbraw/zinc/20/17/26/855201726.db2.gz DNJCAJPMTCBDFJ-MRXNPFEDSA-N 1 0 397.906 3.877 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c(Cl)c1 ZINC000589995981 855218887 /nfs/dbraw/zinc/21/88/87/855218887.db2.gz KFMALKJDTAGRNY-HNNXBMFYSA-N 1 0 390.270 3.684 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000163066056 855261250 /nfs/dbraw/zinc/26/12/50/855261250.db2.gz RQANEOPELGUMJO-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000330208474 862661857 /nfs/dbraw/zinc/66/18/57/862661857.db2.gz BBEXFZVANVJGEO-BDTNDASRSA-N 1 0 385.552 3.814 20 30 GHEDRO O=C(NC1CCC(c2ccccc2)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330227566 862675799 /nfs/dbraw/zinc/67/57/99/862675799.db2.gz PIANLJIEKVPAOX-FGGKUVOCSA-N 1 0 385.552 3.594 20 30 GHEDRO C[N@H+](CCCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465639562 855468086 /nfs/dbraw/zinc/46/80/86/855468086.db2.gz VOXFUZONYBTKHU-GOTSBHOMSA-N 1 0 390.531 3.990 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(C#N)c1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000590701827 855553088 /nfs/dbraw/zinc/55/30/88/855553088.db2.gz IQRIKKPUGDQHLG-HIFRSBDPSA-N 1 0 390.325 3.704 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)C2)C1 ZINC000590803331 855595007 /nfs/dbraw/zinc/59/50/07/855595007.db2.gz AKAKTJJLIHQXOK-JOCHJYFZSA-N 1 0 391.475 3.695 20 30 GHEDRO COc1ccc([C@H](CNc2nc3c(cc2C#N)CCCC3)[NH+](C)C)cc1OC ZINC000301089141 855617007 /nfs/dbraw/zinc/61/70/07/855617007.db2.gz MGFUACYOGPZHAP-IBGZPJMESA-N 1 0 380.492 3.564 20 30 GHEDRO N#Cc1cc(Cl)ccc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301173912 855634520 /nfs/dbraw/zinc/63/45/20/855634520.db2.gz FSEUVHJHNTYRND-SFHVURJKSA-N 1 0 395.938 3.645 20 30 GHEDRO CN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000590939699 855664720 /nfs/dbraw/zinc/66/47/20/855664720.db2.gz LASMXPARFNXONQ-GOSISDBHSA-N 1 0 394.441 3.604 20 30 GHEDRO N#Cc1cccc(CNC(=O)CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000574691298 855704682 /nfs/dbraw/zinc/70/46/82/855704682.db2.gz USFHXTRJJRPMHJ-NRFANRHFSA-N 1 0 379.529 3.572 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOc4ccccc4C3)sc2C1 ZINC000108159594 855736511 /nfs/dbraw/zinc/73/65/11/855736511.db2.gz JMUVDSHLCPNUJH-HNNXBMFYSA-N 1 0 395.528 3.968 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000301699129 855743147 /nfs/dbraw/zinc/74/31/47/855743147.db2.gz DRSIHVLKHICAOJ-GCJKJVERSA-N 1 0 376.460 3.957 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301840673 855768702 /nfs/dbraw/zinc/76/87/02/855768702.db2.gz AZOHKFAHGCZCHB-PMACEKPBSA-N 1 0 390.462 3.601 20 30 GHEDRO N#Cc1ccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nn1 ZINC000301959246 855787636 /nfs/dbraw/zinc/78/76/36/855787636.db2.gz LVLMKMAYGLOYPB-QFIPXVFZSA-N 1 0 389.890 3.913 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000591265415 855871982 /nfs/dbraw/zinc/87/19/82/855871982.db2.gz AXBVNEHUTDYQPH-SFHVURJKSA-N 1 0 386.503 3.547 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000591282121 855882965 /nfs/dbraw/zinc/88/29/65/855882965.db2.gz PGHNYPMXOVHJHB-GOSISDBHSA-N 1 0 386.402 3.778 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000591284619 855884151 /nfs/dbraw/zinc/88/41/51/855884151.db2.gz OQKFLAOVAZGEKE-KRWDZBQOSA-N 1 0 380.448 3.623 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)c2)c1 ZINC000057975794 855888221 /nfs/dbraw/zinc/88/82/21/855888221.db2.gz BBZULTCUXDSURE-LJQANCHMSA-N 1 0 389.421 3.863 20 30 GHEDRO CCN1CC[NH+](C[C@@H](C)CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000302631367 855899674 /nfs/dbraw/zinc/89/96/74/855899674.db2.gz GOFZPNHKRNLMSD-AWEZNQCLSA-N 1 0 389.906 3.584 20 30 GHEDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000591307890 855901847 /nfs/dbraw/zinc/90/18/47/855901847.db2.gz ZCCPUSSNQCVTCH-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591308987 855902691 /nfs/dbraw/zinc/90/26/91/855902691.db2.gz NPJLPJRAPLXSMG-KXBFYZLASA-N 1 0 378.501 3.925 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)CC2)nc1 ZINC000591348038 855944649 /nfs/dbraw/zinc/94/46/49/855944649.db2.gz XYSOAPXJRUYJOV-OAQYLSRUSA-N 1 0 391.475 3.888 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC#Cc1ccccc1 ZINC000591424573 855971736 /nfs/dbraw/zinc/97/17/36/855971736.db2.gz AGZMXIBZENTORI-FQEVSTJZSA-N 1 0 376.500 3.721 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000760829607 855988423 /nfs/dbraw/zinc/98/84/23/855988423.db2.gz FTEQXXDAHHZBFS-HSZRJFAPSA-N 1 0 389.499 3.593 20 30 GHEDRO C=CCSCCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000542817290 855999672 /nfs/dbraw/zinc/99/96/72/855999672.db2.gz YHUUAQLDGXBUDH-UHFFFAOYSA-N 1 0 381.973 3.770 20 30 GHEDRO N#Cc1ccsc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000140065002 856015702 /nfs/dbraw/zinc/01/57/02/856015702.db2.gz VUFWLXDUOULIGK-PMACEKPBSA-N 1 0 394.544 3.545 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccco3)nc3onc(CCC)c32)CC1 ZINC000520687019 856020388 /nfs/dbraw/zinc/02/03/88/856020388.db2.gz UCTYYENKJUTAGK-UHFFFAOYSA-N 1 0 394.475 3.816 20 30 GHEDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000195196565 856056038 /nfs/dbraw/zinc/05/60/38/856056038.db2.gz YFTKCFDSYUGYSU-HSZRJFAPSA-N 1 0 394.519 3.875 20 30 GHEDRO CC(C)[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2ccccn21 ZINC000542842428 856111335 /nfs/dbraw/zinc/11/13/35/856111335.db2.gz HEJVYCSUVWNDEA-QFIPXVFZSA-N 1 0 388.519 3.552 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000045900383 856125762 /nfs/dbraw/zinc/12/57/62/856125762.db2.gz DPLDSRAFSAXMIE-QGZVFWFLSA-N 1 0 381.476 3.685 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(CC#N)cc1 ZINC000573440696 856126250 /nfs/dbraw/zinc/12/62/50/856126250.db2.gz WTKVPSDNJNDVNF-UHFFFAOYSA-N 1 0 384.911 3.679 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)[NH+]1CCCCC1 ZINC000573534113 856244472 /nfs/dbraw/zinc/24/44/72/856244472.db2.gz YKMOMKCXMJYPFP-WMZHIEFXSA-N 1 0 381.520 3.812 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000171737673 856246792 /nfs/dbraw/zinc/24/67/92/856246792.db2.gz GLYLWUVUAQPKAW-SFHVURJKSA-N 1 0 392.341 3.946 20 30 GHEDRO N#Cc1ccc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] ZINC000573499520 856262127 /nfs/dbraw/zinc/26/21/27/856262127.db2.gz XCAUQGOGJIVYLL-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485234447 856265128 /nfs/dbraw/zinc/26/51/28/856265128.db2.gz VDTXMDHAUAJNBX-OXJNMPFZSA-N 1 0 393.487 3.812 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000172135866 856349990 /nfs/dbraw/zinc/34/99/90/856349990.db2.gz XPJGBOQUBPUPKP-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000905465263 856351729 /nfs/dbraw/zinc/35/17/29/856351729.db2.gz NQHZUCZQPAOOQP-LBPRGKRZSA-N 1 0 377.204 3.612 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC3 ZINC000485330684 856371256 /nfs/dbraw/zinc/37/12/56/856371256.db2.gz LCTGXZLOWVVFDB-UUOWRZLLSA-N 1 0 398.510 3.991 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109873939 856386453 /nfs/dbraw/zinc/38/64/53/856386453.db2.gz PUANUQLLMSUBFP-MRXNPFEDSA-N 1 0 395.482 3.722 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000184831189 856412713 /nfs/dbraw/zinc/41/27/13/856412713.db2.gz WJNSOMXHZWXEFG-LJQANCHMSA-N 1 0 389.421 3.929 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000172584402 856491943 /nfs/dbraw/zinc/49/19/43/856491943.db2.gz XFIUGIHOJUMSGW-DYESRHJHSA-N 1 0 394.494 3.892 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000573829706 856511387 /nfs/dbraw/zinc/51/13/87/856511387.db2.gz QWCUAVIFIUOBRW-HKUYNNGSSA-N 1 0 382.370 3.506 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000485461835 856594506 /nfs/dbraw/zinc/59/45/06/856594506.db2.gz DDWDVRCYPLTZSB-RTBURBONSA-N 1 0 387.593 3.595 20 30 GHEDRO COc1cncc(/C=C\CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000592099504 856642766 /nfs/dbraw/zinc/64/27/66/856642766.db2.gz ATNZDEGNGCJMKB-YYMZATOTSA-N 1 0 380.467 3.515 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)CC1 ZINC000592075734 856652741 /nfs/dbraw/zinc/65/27/41/856652741.db2.gz GCTADRKDRRIKBS-KRWDZBQOSA-N 1 0 398.576 3.669 20 30 GHEDRO N#Cc1ccc(OCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000592130746 856669781 /nfs/dbraw/zinc/66/97/81/856669781.db2.gz LWICYFVLZIEFSC-MXVIHJGJSA-N 1 0 395.459 3.651 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)cc1Cl ZINC000592176786 856761806 /nfs/dbraw/zinc/76/18/06/856761806.db2.gz DUIDCDWOJUSAQE-NRFANRHFSA-N 1 0 395.890 3.810 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000592199089 856809959 /nfs/dbraw/zinc/80/99/59/856809959.db2.gz WVFGWAFHYCEXKK-FQEVSTJZSA-N 1 0 386.540 3.606 20 30 GHEDRO C[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000508045051 856850166 /nfs/dbraw/zinc/85/01/66/856850166.db2.gz NENJJKXLDVBDOB-INIZCTEOSA-N 1 0 379.508 3.683 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CC1 ZINC000592507218 856909870 /nfs/dbraw/zinc/90/98/70/856909870.db2.gz VBTFIDCWMVQFMP-UHFFFAOYSA-N 1 0 399.535 3.567 20 30 GHEDRO CC(C)c1noc([C@H](NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C2CCOCC2)n1 ZINC000330311197 862857580 /nfs/dbraw/zinc/85/75/80/862857580.db2.gz VONZTHGCQOAJQS-QSJFSLAZSA-N 1 0 378.517 3.879 20 30 GHEDRO C[NH+](C)CCn1ncc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1-c1ccccc1 ZINC000485733891 857008787 /nfs/dbraw/zinc/00/87/87/857008787.db2.gz UHAKDLKWNBMYIC-UHFFFAOYSA-N 1 0 393.878 3.889 20 30 GHEDRO CCOCc1ccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750382 857050540 /nfs/dbraw/zinc/05/05/40/857050540.db2.gz WCDHRUAJTRBCGJ-UHFFFAOYSA-N 1 0 379.504 3.622 20 30 GHEDRO CC1(C)CC(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC(C)(C)[NH2+]1 ZINC000058560475 857054607 /nfs/dbraw/zinc/05/46/07/857054607.db2.gz WZLMGUNWSAAQJO-UHFFFAOYSA-N 1 0 398.429 3.930 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)ccc1OC ZINC000733329841 862872629 /nfs/dbraw/zinc/87/26/29/862872629.db2.gz AICRWLLUJLLTGM-HXUWFJFHSA-N 1 0 393.487 3.558 20 30 GHEDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000173843274 857167933 /nfs/dbraw/zinc/16/79/33/857167933.db2.gz ZXZMYOGCQYIDHN-QGZVFWFLSA-N 1 0 377.488 3.912 20 30 GHEDRO C[NH+]1CCN(CCOc2ccc(-c3ccc(C#N)c(C(F)(F)F)c3)cc2)CC1 ZINC000592986210 857175259 /nfs/dbraw/zinc/17/52/59/857175259.db2.gz FMSSEWCDCZHSDL-UHFFFAOYSA-N 1 0 389.421 3.870 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1cccs1 ZINC000888412558 857181320 /nfs/dbraw/zinc/18/13/20/857181320.db2.gz NFZNWPUKKBRLSL-MFKMUULPSA-N 1 0 395.941 3.934 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC000888412788 857190731 /nfs/dbraw/zinc/19/07/31/857190731.db2.gz VDLWBEJPERCXBM-STQMWFEESA-N 1 0 381.933 3.786 20 30 GHEDRO CN(C(=O)Nc1nc(Cl)c(C#N)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000888412937 857193215 /nfs/dbraw/zinc/19/32/15/857193215.db2.gz ZBICKCITHNGYCB-UHFFFAOYSA-N 1 0 389.912 3.796 20 30 GHEDRO C=CCn1c(-c2cn[nH]c2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000624850089 857200683 /nfs/dbraw/zinc/20/06/83/857200683.db2.gz USCDMFFHFOPMCK-YLJYHZDGSA-N 1 0 391.523 3.516 20 30 GHEDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000112990532 857248037 /nfs/dbraw/zinc/24/80/37/857248037.db2.gz DIRREYWABLQSHT-HNNXBMFYSA-N 1 0 375.538 3.576 20 30 GHEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246251392 857324282 /nfs/dbraw/zinc/32/42/82/857324282.db2.gz LPUDJMFHCSRRFS-IAGOWNOFSA-N 1 0 390.553 3.559 20 30 GHEDRO N#CCSc1ccccc1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000921969955 857352213 /nfs/dbraw/zinc/35/22/13/857352213.db2.gz YCRSGLJYUNFYHL-LJQANCHMSA-N 1 0 392.528 3.839 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC2CCC1CC2 ZINC000921972304 857377344 /nfs/dbraw/zinc/37/73/44/857377344.db2.gz UKSVEOJIEBLKAX-KUYBLMILSA-N 1 0 378.520 3.630 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)CCc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000113236912 857383020 /nfs/dbraw/zinc/38/30/20/857383020.db2.gz YQHQBGLMYQYKIG-IBGZPJMESA-N 1 0 391.515 3.507 20 30 GHEDRO C[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000174804834 857386997 /nfs/dbraw/zinc/38/69/97/857386997.db2.gz ACONMXIQIZSBLE-QGZVFWFLSA-N 1 0 382.533 3.545 20 30 GHEDRO Cc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000042643690 857417042 /nfs/dbraw/zinc/41/70/42/857417042.db2.gz NRAZFSZAAGUTPD-SFHVURJKSA-N 1 0 394.494 3.541 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(OC)c1 ZINC000113324851 857451724 /nfs/dbraw/zinc/45/17/24/857451724.db2.gz TWKBKNFIPXJUGQ-UHFFFAOYSA-N 1 0 376.460 3.771 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)c1C#N ZINC000246820933 857469469 /nfs/dbraw/zinc/46/94/69/857469469.db2.gz QAKODJJWSGRLAL-YLJYHZDGSA-N 1 0 386.540 3.513 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593355171 857515499 /nfs/dbraw/zinc/51/54/99/857515499.db2.gz MOOFJNLTJDKGEP-UHFFFAOYSA-N 1 0 375.472 3.517 20 30 GHEDRO C[C@@H](NC(=O)Nc1nc(Cl)c(C#N)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000888417899 857518717 /nfs/dbraw/zinc/51/87/17/857518717.db2.gz RMOZOALBDPJZOT-OCCSQVGLSA-N 1 0 389.912 3.700 20 30 GHEDRO N#CC1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCC1 ZINC000593347440 857548649 /nfs/dbraw/zinc/54/86/49/857548649.db2.gz UQZXHHGRDRHGOH-KRWDZBQOSA-N 1 0 394.441 3.663 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593525276 857596982 /nfs/dbraw/zinc/59/69/82/857596982.db2.gz OPVZOANYSKNGMO-UHFFFAOYSA-N 1 0 399.560 3.630 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181588185 862931459 /nfs/dbraw/zinc/93/14/59/862931459.db2.gz UNDLWCGOIQMXQV-UNMCSNQZSA-N 1 0 385.458 3.893 20 30 GHEDRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000486274254 857611501 /nfs/dbraw/zinc/61/15/01/857611501.db2.gz ZZFVQZMJCDNFJA-SPEDKVCISA-N 1 0 376.504 3.829 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)cc1 ZINC000521115703 857636725 /nfs/dbraw/zinc/63/67/25/857636725.db2.gz AKLJIDRRSKSFSN-FQEVSTJZSA-N 1 0 375.472 3.855 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2ccc(C#N)cc2Cl)cc1 ZINC000438905573 857649577 /nfs/dbraw/zinc/64/95/77/857649577.db2.gz ZIJBSRLOIYSDKD-UHFFFAOYSA-N 1 0 385.895 3.862 20 30 GHEDRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593731924 857670377 /nfs/dbraw/zinc/67/03/77/857670377.db2.gz HIINBMDQMWMAFS-HXUWFJFHSA-N 1 0 385.533 3.589 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000482315666 862937943 /nfs/dbraw/zinc/93/79/43/862937943.db2.gz LVZVPZQTAXFQDG-UHFFFAOYSA-N 1 0 382.895 3.769 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)c(C)c2)CC1 ZINC000043521333 857785065 /nfs/dbraw/zinc/78/50/65/857785065.db2.gz VIUDXQCKOKDQJD-GOSISDBHSA-N 1 0 391.519 3.891 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000486616539 857917201 /nfs/dbraw/zinc/91/72/01/857917201.db2.gz GPJZSJLBKHTHAV-QAPCUYQASA-N 1 0 390.325 3.785 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000594360663 858103413 /nfs/dbraw/zinc/10/34/13/858103413.db2.gz AUCSGOWWLDQCRW-WZONZLPQSA-N 1 0 393.531 3.943 20 30 GHEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)cc1 ZINC000442788853 858134506 /nfs/dbraw/zinc/13/45/06/858134506.db2.gz JEIDNJMYNMFZOD-CTNGQTDRSA-N 1 0 377.488 3.837 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)CC1 ZINC000521573920 858135978 /nfs/dbraw/zinc/13/59/78/858135978.db2.gz XRFDGCAWELTJRY-UHFFFAOYSA-N 1 0 388.512 3.504 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000594426517 858185516 /nfs/dbraw/zinc/18/55/16/858185516.db2.gz DPHNDASRQYSEMD-AWEZNQCLSA-N 1 0 380.279 3.588 20 30 GHEDRO COc1ccccc1C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000114725875 858189998 /nfs/dbraw/zinc/18/99/98/858189998.db2.gz NXIXWSSIHUYHCH-NRFANRHFSA-N 1 0 393.487 3.577 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000114724530 858190180 /nfs/dbraw/zinc/19/01/80/858190180.db2.gz CTRBVFPDTQMRTL-IBGZPJMESA-N 1 0 379.460 3.741 20 30 GHEDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000442884115 858205092 /nfs/dbraw/zinc/20/50/92/858205092.db2.gz GFDIPWAPRCFXPY-FQEVSTJZSA-N 1 0 375.538 3.718 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000010225309 858217689 /nfs/dbraw/zinc/21/76/89/858217689.db2.gz OCXZJRROIARRNM-IBGZPJMESA-N 1 0 375.472 3.659 20 30 GHEDRO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c2)CCO1 ZINC000594918086 858304437 /nfs/dbraw/zinc/30/44/37/858304437.db2.gz PHPAHRRPAQJSOV-IBGZPJMESA-N 1 0 375.516 3.752 20 30 GHEDRO COc1ccc(CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cc1F ZINC000487423830 858324748 /nfs/dbraw/zinc/32/47/48/858324748.db2.gz BIXDSGLYCOKOTN-UHFFFAOYSA-N 1 0 381.495 3.953 20 30 GHEDRO COC[C@H](C)Oc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594978445 858338110 /nfs/dbraw/zinc/33/81/10/858338110.db2.gz BPNAXZVBGBXBNM-SFHVURJKSA-N 1 0 380.488 3.767 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cccc(OC4CC4)c3F)CC2)c1 ZINC000594951729 858343434 /nfs/dbraw/zinc/34/34/34/858343434.db2.gz YHSMORCHOOXDPK-UHFFFAOYSA-N 1 0 379.479 3.993 20 30 GHEDRO COc1cc(Br)c(C[NH2+]CCc2ccc(C#N)cc2)cc1OC ZINC000594956568 858344321 /nfs/dbraw/zinc/34/43/21/858344321.db2.gz WWMPNTIVKHHVQW-UHFFFAOYSA-N 1 0 375.266 3.670 20 30 GHEDRO Cn1c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)nc2cc(Cl)ccc21 ZINC000594982294 858356839 /nfs/dbraw/zinc/35/68/39/858356839.db2.gz BUPSTQSJDSEQEX-UHFFFAOYSA-N 1 0 380.879 3.894 20 30 GHEDRO N#Cc1cc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)ccc1Cl ZINC000521921224 858434909 /nfs/dbraw/zinc/43/49/09/858434909.db2.gz XPHKTHKMXUHOMS-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000595228431 858445722 /nfs/dbraw/zinc/44/57/22/858445722.db2.gz HBWAUDHPTFKKQU-GOSISDBHSA-N 1 0 382.464 3.854 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000595258868 858456174 /nfs/dbraw/zinc/45/61/74/858456174.db2.gz FLYVFJNPWBWVMG-IAGOWNOFSA-N 1 0 378.314 3.744 20 30 GHEDRO CC(C)[C@H]([NH3+])CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000595275022 858458650 /nfs/dbraw/zinc/45/86/50/858458650.db2.gz DOXQXBUUZBVWCV-OAQYLSRUSA-N 1 0 382.483 3.783 20 30 GHEDRO N#CCc1ccccc1CC(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000761105759 858467624 /nfs/dbraw/zinc/46/76/24/858467624.db2.gz JXSPPQNLQJVGES-UHFFFAOYSA-N 1 0 378.472 3.765 20 30 GHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)NCc3ccc(CC#N)cc3)n2)C1 ZINC000521999490 858522824 /nfs/dbraw/zinc/52/28/24/858522824.db2.gz WLHQRJDWLHAGNR-OAHLLOKOSA-N 1 0 383.521 3.763 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000673269415 858530003 /nfs/dbraw/zinc/53/00/03/858530003.db2.gz SQURAWPBLXVHLN-QFIPXVFZSA-N 1 0 397.563 3.723 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](CC#N)C3)cc2)C1 ZINC000595458497 858537774 /nfs/dbraw/zinc/53/77/74/858537774.db2.gz RYOKQKQZQAJJKF-ZVDOUQERSA-N 1 0 382.552 4.000 20 30 GHEDRO O=C(NCCC[NH+]1CCCCCC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000522071927 858577362 /nfs/dbraw/zinc/57/73/62/858577362.db2.gz NFZPZAORIWJBOX-UHFFFAOYSA-N 1 0 376.504 3.869 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000067574349 858620563 /nfs/dbraw/zinc/62/05/63/858620563.db2.gz KLDHTYLXVVWEPQ-UHFFFAOYSA-N 1 0 387.487 3.945 20 30 GHEDRO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c(OC)c1 ZINC000595635448 858625125 /nfs/dbraw/zinc/62/51/25/858625125.db2.gz KVTOGOBHFOCNLA-MWGFUINXSA-N 1 0 380.488 3.865 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000595603909 858628437 /nfs/dbraw/zinc/62/84/37/858628437.db2.gz QMYBMWLQAUBDAK-UYAOXDASSA-N 1 0 386.540 3.676 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595684753 858634867 /nfs/dbraw/zinc/63/48/67/858634867.db2.gz BAVSGNNRECCHEA-UHFFFAOYSA-N 1 0 390.531 3.654 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@]3(CC3(F)F)C2)sc2c1CCCCC2 ZINC000593114664 858660062 /nfs/dbraw/zinc/66/00/62/858660062.db2.gz DZPGOTUJCNVYOY-SFHVURJKSA-N 1 0 379.476 3.948 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000595755789 858676745 /nfs/dbraw/zinc/67/67/45/858676745.db2.gz CQYWHLBMFZWAKD-NZQKXSOJSA-N 1 0 378.472 3.614 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595789737 858689025 /nfs/dbraw/zinc/68/90/25/858689025.db2.gz NNCVBWRTOSZQGV-IFMALSPDSA-N 1 0 383.536 3.831 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595789399 858689089 /nfs/dbraw/zinc/68/90/89/858689089.db2.gz MTMQESLSSUFTSF-OGWOLHLISA-N 1 0 375.900 3.820 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000595877416 858724545 /nfs/dbraw/zinc/72/45/45/858724545.db2.gz TXTBMJMWMAFTOF-UZUQRXQVSA-N 1 0 380.488 3.596 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000115994015 858774780 /nfs/dbraw/zinc/77/47/80/858774780.db2.gz RMFCGFWOWWXFHO-ROUUACIJSA-N 1 0 383.442 3.530 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)cc(OC)c1O ZINC000522213855 858832657 /nfs/dbraw/zinc/83/26/57/858832657.db2.gz BFNMJWJAAFYZSP-INIZCTEOSA-N 1 0 386.879 3.678 20 30 GHEDRO N#Cc1cccc(CNC(=O)COc2ccc(C[NH+]3CCCC3)c(Cl)c2)c1 ZINC000596302418 858851767 /nfs/dbraw/zinc/85/17/67/858851767.db2.gz UYYQUMAWJPFTPY-UHFFFAOYSA-N 1 0 383.879 3.503 20 30 GHEDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000522266595 858923852 /nfs/dbraw/zinc/92/38/52/858923852.db2.gz AQBWQDZZCMIAGE-UHFFFAOYSA-N 1 0 386.455 3.737 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184542843 858957097 /nfs/dbraw/zinc/95/70/97/858957097.db2.gz SQEZKCPMMXFXAR-SZNDQCEHSA-N 1 0 382.533 3.886 20 30 GHEDRO COc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)cc1C ZINC000593209577 858982615 /nfs/dbraw/zinc/98/26/15/858982615.db2.gz PKCKGNHZOFOEMG-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)c4ccncc34)CC2)cc1 ZINC000596695876 859011924 /nfs/dbraw/zinc/01/19/24/859011924.db2.gz XPYNNOWQPXTTFO-UHFFFAOYSA-N 1 0 388.446 3.594 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466303900 859046953 /nfs/dbraw/zinc/04/69/53/859046953.db2.gz ZVVGLBXDOMWRPI-VSKRKVRLSA-N 1 0 380.536 3.732 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000593227904 859062156 /nfs/dbraw/zinc/06/21/56/859062156.db2.gz VVSIBXXQEASRQU-BZUAXINKSA-N 1 0 382.895 3.730 20 30 GHEDRO CCC(C#N)(CC)C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923157559 859072624 /nfs/dbraw/zinc/07/26/24/859072624.db2.gz PUVTYSLZLJVMOE-HXUWFJFHSA-N 1 0 383.536 3.646 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249277668 859127828 /nfs/dbraw/zinc/12/78/28/859127828.db2.gz NEBCNAJXHSUZMO-XMSQKQJNSA-N 1 0 377.463 3.824 20 30 GHEDRO CN(C(=[NH2+])NCCOc1c(Cl)cc(Br)cc1Cl)C1CC1 ZINC000262216990 859161040 /nfs/dbraw/zinc/16/10/40/859161040.db2.gz JWCASBAMDDMHNS-UHFFFAOYSA-N 1 0 381.101 3.544 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)C[NH+]1CCCCC1 ZINC000060395888 859182903 /nfs/dbraw/zinc/18/29/03/859182903.db2.gz FJJLNQMROKDEKU-QGZVFWFLSA-N 1 0 381.476 3.582 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccccc3Cl)CC2)c1 ZINC000593248650 859207252 /nfs/dbraw/zinc/20/72/52/859207252.db2.gz MPONHWYNKAFTQL-UHFFFAOYSA-N 1 0 382.895 3.675 20 30 GHEDRO OC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000483249575 859240589 /nfs/dbraw/zinc/24/05/89/859240589.db2.gz JMEFJWDFESXLKP-NSHDSACASA-N 1 0 397.718 3.899 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1 ZINC000060426009 859243636 /nfs/dbraw/zinc/24/36/36/859243636.db2.gz LTPAGUMSANCLJJ-GOSISDBHSA-N 1 0 377.488 3.628 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000597083885 859274580 /nfs/dbraw/zinc/27/45/80/859274580.db2.gz OFLUCQPPTGWSFA-HXUWFJFHSA-N 1 0 392.503 3.657 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000483306396 859283481 /nfs/dbraw/zinc/28/34/81/859283481.db2.gz TXJDQIGUOQQJLI-OXJNMPFZSA-N 1 0 377.479 3.955 20 30 GHEDRO CC(C)c1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000483332851 859290190 /nfs/dbraw/zinc/29/01/90/859290190.db2.gz AECSLARAPVMFQP-UHFFFAOYSA-N 1 0 378.520 3.955 20 30 GHEDRO COCCN(CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000069072094 859329234 /nfs/dbraw/zinc/32/92/34/859329234.db2.gz QGZPEPPRZIRBKA-HSZRJFAPSA-N 1 0 379.504 3.520 20 30 GHEDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1OCC(=O)N1CCCCC1 ZINC000597175045 859336414 /nfs/dbraw/zinc/33/64/14/859336414.db2.gz UYYZUSOFVZYKOH-IBGZPJMESA-N 1 0 399.535 3.602 20 30 GHEDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597231198 859365691 /nfs/dbraw/zinc/36/56/91/859365691.db2.gz JHBKMVVVQVFDEX-OAQYLSRUSA-N 1 0 391.515 3.874 20 30 GHEDRO COC(=O)CC[N@H+](Cc1ccc(C#N)s1)Cc1cccc(Br)c1 ZINC000483436773 859372252 /nfs/dbraw/zinc/37/22/52/859372252.db2.gz FEBYDVALVFPDMB-UHFFFAOYSA-N 1 0 393.306 3.948 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c(-c2ccncc2)n1 ZINC000597225170 859376936 /nfs/dbraw/zinc/37/69/36/859376936.db2.gz ODVAQJJZMQDIBZ-OAQYLSRUSA-N 1 0 379.508 3.640 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cc4ccccc4[nH]3)CC2)c1 ZINC000593333420 859446601 /nfs/dbraw/zinc/44/66/01/859446601.db2.gz QGSOOXJTPNIWHF-UHFFFAOYSA-N 1 0 387.487 3.503 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000601703595 859474713 /nfs/dbraw/zinc/47/47/13/859474713.db2.gz MCXYPISNBOKRQH-HNNXBMFYSA-N 1 0 396.800 3.658 20 30 GHEDRO CCC[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593337654 859484251 /nfs/dbraw/zinc/48/42/51/859484251.db2.gz FMFZYSGACPFOBQ-JOCHJYFZSA-N 1 0 391.519 3.758 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3(c4ccccc4)CCC3)CC2)c1 ZINC000593343168 859497308 /nfs/dbraw/zinc/49/73/08/859497308.db2.gz QBEIGRRRBRSZCT-UHFFFAOYSA-N 1 0 388.515 3.901 20 30 GHEDRO Cc1ccc(C[C@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593348509 859520772 /nfs/dbraw/zinc/52/07/72/859520772.db2.gz NCXDGSKJKIICCE-INIZCTEOSA-N 1 0 396.560 3.823 20 30 GHEDRO COC(=O)C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(O)c1 ZINC001170364974 881431901 /nfs/dbraw/zinc/43/19/01/881431901.db2.gz KXFSNNHNINMMPE-SWCONJRYSA-N 1 0 378.472 3.990 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2Cc3cccc(C#N)c3C2)[C@@H]1c1cccs1 ZINC000593353665 859549050 /nfs/dbraw/zinc/54/90/50/859549050.db2.gz MQVSZNJDLHAWRI-OXQOHEQNSA-N 1 0 380.517 3.728 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000483698407 859550472 /nfs/dbraw/zinc/55/04/72/859550472.db2.gz LAFOKARRRPSPRS-QAPCUYQASA-N 1 0 381.442 3.571 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cc(C#N)ccc1F ZINC000499759880 859570289 /nfs/dbraw/zinc/57/02/89/859570289.db2.gz QHKUXZZJKJZSSI-IRXDYDNUSA-N 1 0 380.467 3.502 20 30 GHEDRO CC(C)c1ncc(Cl)c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593356686 859574350 /nfs/dbraw/zinc/57/43/50/859574350.db2.gz ZKECYLQWEBRPBB-UHFFFAOYSA-N 1 0 397.910 3.519 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000117748106 859603621 /nfs/dbraw/zinc/60/36/21/859603621.db2.gz INYTXEXGNJTMDP-OAQYLSRUSA-N 1 0 389.499 3.549 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@@H]1C ZINC000611226813 859651279 /nfs/dbraw/zinc/65/12/79/859651279.db2.gz OBQACUQGANAWGH-HOTGVXAUSA-N 1 0 379.464 3.692 20 30 GHEDRO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000611322730 859696055 /nfs/dbraw/zinc/69/60/55/859696055.db2.gz YBFFRTOAVHQDFX-UZUQRXQVSA-N 1 0 395.551 3.679 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CCC[N@@H+](C(C)C)CC3)c(=S)o2)cc1 ZINC000764973489 859704615 /nfs/dbraw/zinc/70/46/15/859704615.db2.gz QANWGHGULSYOTR-UHFFFAOYSA-N 1 0 388.537 3.811 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611351010 859714620 /nfs/dbraw/zinc/71/46/20/859714620.db2.gz XVIHYJKQLJVGGI-PMPSAXMXSA-N 1 0 375.900 3.677 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611386753 859731810 /nfs/dbraw/zinc/73/18/10/859731810.db2.gz UFFQEULQPQVBBQ-CYBMUJFWSA-N 1 0 385.489 3.703 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611386754 859731913 /nfs/dbraw/zinc/73/19/13/859731913.db2.gz UFFQEULQPQVBBQ-ZDUSSCGKSA-N 1 0 385.489 3.703 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1cccc(C#N)c1 ZINC000611389092 859733405 /nfs/dbraw/zinc/73/34/05/859733405.db2.gz QLQZJNMYVRMJHS-KXBFYZLASA-N 1 0 388.427 3.773 20 30 GHEDRO COc1ccc([C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)N(C)C)cc1OC ZINC000611393480 859735167 /nfs/dbraw/zinc/73/51/67/859735167.db2.gz LGQPYQOCJXBQKV-RTWAWAEBSA-N 1 0 379.504 3.845 20 30 GHEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391456 859741564 /nfs/dbraw/zinc/74/15/64/859741564.db2.gz ZLKCIZXBNHDEQR-QFIPXVFZSA-N 1 0 397.544 3.553 20 30 GHEDRO COc1cc(C[NH2+]C2(CO)CCCCC2)ccc1OCc1cccc(C#N)c1 ZINC000611463045 859764927 /nfs/dbraw/zinc/76/49/27/859764927.db2.gz QIZPFARRHOYSEE-UHFFFAOYSA-N 1 0 380.488 3.931 20 30 GHEDRO COC(=O)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000543462853 859782176 /nfs/dbraw/zinc/78/21/76/859782176.db2.gz DOUMWAIMZDZDPD-FZKQIMNGSA-N 1 0 391.899 3.640 20 30 GHEDRO N#CC1(NC(=O)c2csc3c2CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000611505658 859789997 /nfs/dbraw/zinc/78/99/97/859789997.db2.gz HCYCFHKHZXNMKJ-UHFFFAOYSA-N 1 0 379.529 3.915 20 30 GHEDRO Cc1cc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1 ZINC000611538322 859799418 /nfs/dbraw/zinc/79/94/18/859799418.db2.gz DSONJZJHLKEZFM-UHFFFAOYSA-N 1 0 399.498 3.793 20 30 GHEDRO C=CCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000611543927 859805438 /nfs/dbraw/zinc/80/54/38/859805438.db2.gz OWNSEXBBASRRNE-UHFFFAOYSA-N 1 0 381.226 3.910 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602176786 859835841 /nfs/dbraw/zinc/83/58/41/859835841.db2.gz LOIIFSOVYOCGJB-UHFFFAOYSA-N 1 0 376.504 3.713 20 30 GHEDRO C[C@@H]1SCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H]1c1ccccc1 ZINC000118534805 859855174 /nfs/dbraw/zinc/85/51/74/859855174.db2.gz VGJMDHINEJZKMS-RBDMOPTHSA-N 1 0 382.529 3.671 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000593455496 859863311 /nfs/dbraw/zinc/86/33/11/859863311.db2.gz VFCYKAPHRHTGOO-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2Cc3ccc(Br)cc3C2)CC1 ZINC000765255276 859873219 /nfs/dbraw/zinc/87/32/19/859873219.db2.gz JXNCNVYGAZGMNJ-UHFFFAOYSA-N 1 0 378.314 3.515 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000765360070 859926995 /nfs/dbraw/zinc/92/69/95/859926995.db2.gz RPBYHJJZLFOYHK-CVDCTZTESA-N 1 0 395.572 3.671 20 30 GHEDRO CCOc1ccc(C2=CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC000091813561 859937297 /nfs/dbraw/zinc/93/72/97/859937297.db2.gz KJQMAJJEONTTSN-JOCHJYFZSA-N 1 0 392.499 3.680 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000602376790 859977030 /nfs/dbraw/zinc/97/70/30/859977030.db2.gz ZUSYGGNLIPIARU-CXAGYDPISA-N 1 0 383.323 3.931 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CCCc3ccc(Br)cc3F)n2c1 ZINC000123802339 860089551 /nfs/dbraw/zinc/08/95/51/860089551.db2.gz NUJKMCUIVPPEGD-UHFFFAOYSA-N 1 0 387.256 3.830 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602526217 860097210 /nfs/dbraw/zinc/09/72/10/860097210.db2.gz FDKQHAIVAGURPQ-RTBURBONSA-N 1 0 398.551 3.692 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000602526134 860097680 /nfs/dbraw/zinc/09/76/80/860097680.db2.gz LVVHORJEJKWLPL-XLIONFOSSA-N 1 0 376.504 3.689 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000602564828 860116514 /nfs/dbraw/zinc/11/65/14/860116514.db2.gz ONXLKKARBGVSPE-LSDHHAIUSA-N 1 0 396.354 3.904 20 30 GHEDRO Cc1nc(-c2cccc(-c3noc(C4CC5(C4)C[NH2+]C[C@H]5C#N)n3)c2)cs1 ZINC000904103768 860127142 /nfs/dbraw/zinc/12/71/42/860127142.db2.gz FIGOVWYDYNZSRT-LFDOHDQPSA-N 1 0 377.473 3.775 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000765543092 860127251 /nfs/dbraw/zinc/12/72/51/860127251.db2.gz ZCHIOANRKZJOOY-VWNXMTODSA-N 1 0 388.511 3.825 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1 ZINC000593518206 860129860 /nfs/dbraw/zinc/12/98/60/860129860.db2.gz VLEKXVNOZCTGTE-UHFFFAOYSA-N 1 0 392.503 3.985 20 30 GHEDRO Cc1cc(C)nc(N2CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)n1 ZINC001170387431 881503689 /nfs/dbraw/zinc/50/36/89/881503689.db2.gz UMUWVQYTSJEMMX-UHFFFAOYSA-N 1 0 375.520 3.620 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c[nH]nc3-c3ccccc3F)CC2)nc1 ZINC000092853926 860147143 /nfs/dbraw/zinc/14/71/43/860147143.db2.gz KNVGGRZSSIZZRY-UHFFFAOYSA-N 1 0 391.450 3.962 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCOCC3)cc1 ZINC000922539020 860153438 /nfs/dbraw/zinc/15/34/38/860153438.db2.gz SGZQWLOUCDEZFU-NHCUHLMSSA-N 1 0 385.552 3.879 20 30 GHEDRO N#Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000123937768 860156379 /nfs/dbraw/zinc/15/63/79/860156379.db2.gz RLROLJILLOUJJH-UHFFFAOYSA-N 1 0 397.910 3.545 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2Oc2ccccc2C)c(C#N)c1C ZINC000484644157 860214633 /nfs/dbraw/zinc/21/46/33/860214633.db2.gz UQWHGGLBAGADFQ-ICSRJNTNSA-N 1 0 381.476 3.995 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000097337201 860259134 /nfs/dbraw/zinc/25/91/34/860259134.db2.gz HVUVNQXHTVYENM-IBGZPJMESA-N 1 0 389.421 3.659 20 30 GHEDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H](C)N1CC#N ZINC000602865579 860320845 /nfs/dbraw/zinc/32/08/45/860320845.db2.gz UAJUDPNFDVHUNN-RTBURBONSA-N 1 0 392.503 3.726 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904332901 860345588 /nfs/dbraw/zinc/34/55/88/860345588.db2.gz SZZIBRASHNDUOI-HSZRJFAPSA-N 1 0 390.487 3.806 20 30 GHEDRO CCC1([NH+](C)C)CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000602966619 860399188 /nfs/dbraw/zinc/39/91/88/860399188.db2.gz LXICYNAGVQVSDQ-QGZVFWFLSA-N 1 0 388.581 3.826 20 30 GHEDRO C=CCN1CC[C@H]([N@H+](C)CCSc2ccnc3cc(Cl)ccc32)C1=O ZINC000499994457 860437100 /nfs/dbraw/zinc/43/71/00/860437100.db2.gz FZPHYMXRKRYVGU-KRWDZBQOSA-N 1 0 375.925 3.699 20 30 GHEDRO Cn1cc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c(-c2ccc(C#N)cc2)n1 ZINC000922678107 860465778 /nfs/dbraw/zinc/46/57/78/860465778.db2.gz CCCFHMNCBYJSKQ-DLBZAZTESA-N 1 0 378.398 3.548 20 30 GHEDRO N#Cc1c(C#N)c(N2CCC([NH+]3CCCCC3)CC2)nc2c1CCCCCC2 ZINC000330052956 860470754 /nfs/dbraw/zinc/47/07/54/860470754.db2.gz PUWDZNMISIFRTM-UHFFFAOYSA-N 1 0 377.536 3.939 20 30 GHEDRO C[N@@H+]1CC[C@H](C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000896178578 860492292 /nfs/dbraw/zinc/49/22/92/860492292.db2.gz QXWGAOSFMPBWRM-GOTSBHOMSA-N 1 0 389.499 3.621 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC(=O)N2CCCc3ccccc32)c(-c2ccccc2)n1 ZINC000172116278 860503816 /nfs/dbraw/zinc/50/38/16/860503816.db2.gz UQCZCJBRLODLJW-UHFFFAOYSA-N 1 0 399.498 3.533 20 30 GHEDRO CC(C)[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025535636 860535183 /nfs/dbraw/zinc/53/51/83/860535183.db2.gz XARZVYYNZRPUAA-FDDCHVKYSA-N 1 0 391.515 3.525 20 30 GHEDRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000061021238 860551415 /nfs/dbraw/zinc/55/14/15/860551415.db2.gz YITCGZQIHRGPBS-MRXNPFEDSA-N 1 0 382.533 3.892 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1C#N ZINC000922758485 860556035 /nfs/dbraw/zinc/55/60/35/860556035.db2.gz CPOGYWQDDXPAON-UHFFFAOYSA-N 1 0 388.471 3.718 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000624982917 860612404 /nfs/dbraw/zinc/61/24/04/860612404.db2.gz KBIRBFGUYZSIEM-SFHLNBCPSA-N 1 0 395.551 3.805 20 30 GHEDRO CO[C@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1(C)C ZINC001170384234 881560426 /nfs/dbraw/zinc/56/04/26/881560426.db2.gz BCLQCTCNVSHREJ-KPFBPEDLSA-N 1 0 389.565 3.866 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000282389631 860643494 /nfs/dbraw/zinc/64/34/94/860643494.db2.gz ZGRODFTUMJVYGB-UHFFFAOYSA-N 1 0 375.366 3.539 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000522467680 860659849 /nfs/dbraw/zinc/65/98/49/860659849.db2.gz YFWMLKNWDGHZKD-HXUWFJFHSA-N 1 0 385.479 3.837 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCc3c(CC#N)cccc3C2)cc1 ZINC000598954394 860698908 /nfs/dbraw/zinc/69/89/08/860698908.db2.gz DUQWRVWBEDYBTA-UHFFFAOYSA-N 1 0 390.531 3.862 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(OC[C@H]2CCOC2)c1 ZINC000153018760 881569827 /nfs/dbraw/zinc/56/98/27/881569827.db2.gz DIMKJRHJLUSVSV-QUCCMNQESA-N 1 0 380.488 3.991 20 30 GHEDRO CC1(C)CN(C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000729556727 860706410 /nfs/dbraw/zinc/70/64/10/860706410.db2.gz IJYRSPXRSFKQPV-UHFFFAOYSA-N 1 0 378.476 3.717 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(C(F)(F)F)c3)C2=O)cc1 ZINC000598973316 860708248 /nfs/dbraw/zinc/70/82/48/860708248.db2.gz VOPKJVVOQKNUTF-OAHLLOKOSA-N 1 0 379.407 3.529 20 30 GHEDRO Cc1nn(-c2ccccc2F)cc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599006508 860723808 /nfs/dbraw/zinc/72/38/08/860723808.db2.gz YDAHIBBPTFCJGL-UHFFFAOYSA-N 1 0 390.462 3.987 20 30 GHEDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000509068352 860789046 /nfs/dbraw/zinc/78/90/46/860789046.db2.gz XDOSHDBENDXXJG-LJQANCHMSA-N 1 0 391.515 3.839 20 30 GHEDRO COc1cccc2c1CC[C@@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC000593696238 860885810 /nfs/dbraw/zinc/88/58/10/860885810.db2.gz YYZAONIODOYOTC-JOCHJYFZSA-N 1 0 375.516 3.678 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)cc1OC ZINC000623348213 860896192 /nfs/dbraw/zinc/89/61/92/860896192.db2.gz VMKOATBNBJEKNU-UHFFFAOYSA-N 1 0 388.895 3.905 20 30 GHEDRO CCc1noc(C2CCC([NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)CC2)n1 ZINC000593702817 860929529 /nfs/dbraw/zinc/92/95/29/860929529.db2.gz ODZFJRMUMQDGLA-UHFFFAOYSA-N 1 0 393.535 3.784 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCO[C@H]3c3ccnn3C)CC2)CC1 ZINC000329000329 860938133 /nfs/dbraw/zinc/93/81/33/860938133.db2.gz XIGOYSRXMVKKJY-SDVBZNEUSA-N 1 0 388.556 3.887 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCc2c(OC)ccc3ccccc32)cc1OC ZINC000170911098 860969915 /nfs/dbraw/zinc/96/99/15/860969915.db2.gz IFVDJCCULZGYIR-UHFFFAOYSA-N 1 0 393.487 3.513 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CCOCC1 ZINC000599259590 860990309 /nfs/dbraw/zinc/99/03/09/860990309.db2.gz NEERQKDQNUSVBF-GOSISDBHSA-N 1 0 382.426 3.741 20 30 GHEDRO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599274450 860998885 /nfs/dbraw/zinc/99/88/85/860998885.db2.gz TYOZBXWFCXBXBE-GOSISDBHSA-N 1 0 384.442 3.987 20 30 GHEDRO C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000329095026 861013386 /nfs/dbraw/zinc/01/33/86/861013386.db2.gz BFOMWXZWLTWDHW-CTNGQTDRSA-N 1 0 397.563 3.689 20 30 GHEDRO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329102192 861020180 /nfs/dbraw/zinc/02/01/80/861020180.db2.gz ZZCYCQNUATUSDB-MOPGFXCFSA-N 1 0 387.524 3.740 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599271384 861020228 /nfs/dbraw/zinc/02/02/28/861020228.db2.gz XNKWAQNECBAWEQ-GOSISDBHSA-N 1 0 395.341 3.731 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000603692483 861025576 /nfs/dbraw/zinc/02/55/76/861025576.db2.gz YJXFGXZXFIDZLW-IAGOWNOFSA-N 1 0 393.491 3.987 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000603692028 861027530 /nfs/dbraw/zinc/02/75/30/861027530.db2.gz OZOVGVGMKVLBFO-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000329112434 861031194 /nfs/dbraw/zinc/03/11/94/861031194.db2.gz RILYFACQOZGIBW-WMZOPIPTSA-N 1 0 396.491 3.905 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000329116924 861034178 /nfs/dbraw/zinc/03/41/78/861034178.db2.gz NRFMYVBCZQMUIA-OAHLLOKOSA-N 1 0 395.931 3.625 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000157023141 861034396 /nfs/dbraw/zinc/03/43/96/861034396.db2.gz BGZYWGMZXXNYCB-LJQANCHMSA-N 1 0 392.503 3.909 20 30 GHEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000329120358 861039241 /nfs/dbraw/zinc/03/92/41/861039241.db2.gz PTUYWMSRVFQSGD-RYUDHWBXSA-N 1 0 383.464 3.851 20 30 GHEDRO N#Cc1cc(N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)ncn1 ZINC000555812608 861040143 /nfs/dbraw/zinc/04/01/43/861040143.db2.gz CJFSDRWUIQOMIJ-QFIPXVFZSA-N 1 0 389.890 3.913 20 30 GHEDRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599316945 861056950 /nfs/dbraw/zinc/05/69/50/861056950.db2.gz RTJHQOCYLPAOTE-HIFRSBDPSA-N 1 0 383.319 3.984 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000329145203 861066012 /nfs/dbraw/zinc/06/60/12/861066012.db2.gz ACGCYKPESVPNNZ-ZWKOTPCHSA-N 1 0 386.521 3.826 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)CCOCC1 ZINC000599332921 861071699 /nfs/dbraw/zinc/07/16/99/861071699.db2.gz XXLLDTGJCLBGCK-KRWDZBQOSA-N 1 0 394.437 3.866 20 30 GHEDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1OC ZINC000599349671 861087327 /nfs/dbraw/zinc/08/73/27/861087327.db2.gz QCOUGAIZLYEZSC-LEWJYISDSA-N 1 0 394.515 3.940 20 30 GHEDRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)c1ccc2ccccc2c1 ZINC000329162815 861091040 /nfs/dbraw/zinc/09/10/40/861091040.db2.gz GDLYHWVTIQYVTL-KKSFZXQISA-N 1 0 379.504 3.595 20 30 GHEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)C1=O ZINC000329167242 861093994 /nfs/dbraw/zinc/09/39/94/861093994.db2.gz IMIFUZOXLLTICV-JWOJIUNYSA-N 1 0 387.568 3.635 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000599362091 861128879 /nfs/dbraw/zinc/12/88/79/861128879.db2.gz MGQVIHFBTYFZRV-ICSRJNTNSA-N 1 0 378.451 3.561 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1OC ZINC000623516367 861148785 /nfs/dbraw/zinc/14/87/85/861148785.db2.gz OXJZEFULGLPEIQ-UZLBHIALSA-N 1 0 395.927 3.571 20 30 GHEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000599386488 861151250 /nfs/dbraw/zinc/15/12/50/861151250.db2.gz VTQUNQIKKLYXKO-FUHWJXTLSA-N 1 0 378.394 3.890 20 30 GHEDRO Cc1cc(C(C)(C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)ccc1Br ZINC000599425068 861166538 /nfs/dbraw/zinc/16/65/38/861166538.db2.gz XUYLRBQCFQUGCZ-MRXNPFEDSA-N 1 0 395.341 3.654 20 30 GHEDRO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000329223743 861167290 /nfs/dbraw/zinc/16/72/90/861167290.db2.gz YMUYUMCAKIPUMI-DUXKGJEZSA-N 1 0 395.547 3.989 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000329234411 861179996 /nfs/dbraw/zinc/17/99/96/861179996.db2.gz HTBNZJPUIAORBC-RDJZCZTQSA-N 1 0 392.931 3.826 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001141902929 861188414 /nfs/dbraw/zinc/18/84/14/861188414.db2.gz JZMYSJBHTXZLHI-UHFFFAOYSA-N 1 0 380.305 3.719 20 30 GHEDRO CCCc1c(NC(=O)NCC[N@H+](C)C2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439666830 863185600 /nfs/dbraw/zinc/18/56/00/863185600.db2.gz WRPKZXAFSHYBKG-UHFFFAOYSA-N 1 0 394.523 3.692 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[NH+]2CCCC2)cc1 ZINC000182384505 863208861 /nfs/dbraw/zinc/20/88/61/863208861.db2.gz SJXRFHIDCKOHFN-JOCHJYFZSA-N 1 0 389.499 3.817 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(-c2nccn2C)c1)C(C)C ZINC000605921447 863298945 /nfs/dbraw/zinc/29/89/45/863298945.db2.gz VLPNNURJRIAFCZ-FQEVSTJZSA-N 1 0 381.524 3.907 20 30 GHEDRO C=CC[C@@H](CO)NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000182910869 863401918 /nfs/dbraw/zinc/40/19/18/863401918.db2.gz XEHZEOAFKHTCGX-QFIPXVFZSA-N 1 0 393.531 3.686 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281869708 863441811 /nfs/dbraw/zinc/44/18/11/863441811.db2.gz UOAWHWRYPMAESB-FSSWDIPSSA-N 1 0 385.552 3.521 20 30 GHEDRO COc1ccc2c(c1)[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CCC2 ZINC000593961619 863513136 /nfs/dbraw/zinc/51/31/36/863513136.db2.gz LEVCPCGVFRUACU-JOCHJYFZSA-N 1 0 391.515 3.577 20 30 GHEDRO CCC[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC001127532894 881669125 /nfs/dbraw/zinc/66/91/25/881669125.db2.gz YZMDYLMHIUVENW-SFHVURJKSA-N 1 0 382.895 3.733 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000593973639 863585469 /nfs/dbraw/zinc/58/54/69/863585469.db2.gz QERATHJAFONFHY-INIZCTEOSA-N 1 0 385.458 3.605 20 30 GHEDRO COc1ccc(Br)cc1C[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281983340 863591999 /nfs/dbraw/zinc/59/19/99/863591999.db2.gz MDRZUOGQDCPREH-UHFFFAOYSA-N 1 0 381.314 3.990 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000594020711 863761429 /nfs/dbraw/zinc/76/14/29/863761429.db2.gz LUQMVMWMDGHAHB-UHFFFAOYSA-N 1 0 388.581 3.633 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172585275 863763653 /nfs/dbraw/zinc/76/36/53/863763653.db2.gz SKJZHULGSMJWMB-HXUWFJFHSA-N 1 0 382.552 3.581 20 30 GHEDRO CC(C)OCc1cccc(CNC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594030975 863789466 /nfs/dbraw/zinc/78/94/66/863789466.db2.gz BWNGLGGTHLEFHH-UHFFFAOYSA-N 1 0 391.515 3.768 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000594043933 863887689 /nfs/dbraw/zinc/88/76/89/863887689.db2.gz MYSOEZCXEAFOKM-UXHICEINSA-N 1 0 375.516 3.717 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCCCO1 ZINC000594044460 863890681 /nfs/dbraw/zinc/89/06/81/863890681.db2.gz REEMYWZDOWVBQB-WOJBJXKFSA-N 1 0 386.540 3.968 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1 ZINC000607034572 864032606 /nfs/dbraw/zinc/03/26/06/864032606.db2.gz OZLPJLNKPYRJLS-UHFFFAOYSA-N 1 0 398.478 3.664 20 30 GHEDRO CC[NH+]=C(NCc1cccnc1-n1ccnc1)N1CC[C@@H](c2ccccc2C)C1 ZINC000262421704 864033287 /nfs/dbraw/zinc/03/32/87/864033287.db2.gz BEVBDTCORRBBOR-HXUWFJFHSA-N 1 0 388.519 3.531 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cn2)cc1 ZINC000609205937 881724929 /nfs/dbraw/zinc/72/49/29/881724929.db2.gz KHNAVGWDYQIWQK-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734300281 864135306 /nfs/dbraw/zinc/13/53/06/864135306.db2.gz NLZIQRKAUDZFTH-QUCCMNQESA-N 1 0 378.472 3.781 20 30 GHEDRO C=CCOc1cccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)c1 ZINC000475102707 864202600 /nfs/dbraw/zinc/20/26/00/864202600.db2.gz WMJSXAMWUDNBEN-ROUUACIJSA-N 1 0 375.513 3.752 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621631078 864330926 /nfs/dbraw/zinc/33/09/26/864330926.db2.gz UBUWNSVVQNVTFN-AWEZNQCLSA-N 1 0 383.305 3.883 20 30 GHEDRO CC[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CC[C@@H](c2ccccc2)C1 ZINC000262447626 864468366 /nfs/dbraw/zinc/46/83/66/864468366.db2.gz JCSFPWVEIYYXLD-OAQYLSRUSA-N 1 0 388.519 3.531 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000734929112 864541410 /nfs/dbraw/zinc/54/14/10/864541410.db2.gz NWACYVRUPHGJPC-QGZVFWFLSA-N 1 0 378.476 3.936 20 30 GHEDRO CC(C)[C@@H]1CCC[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262463964 864580564 /nfs/dbraw/zinc/58/05/64/864580564.db2.gz YAEVDBHTGNIYBO-GGPKGHCWSA-N 1 0 397.629 3.504 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063403477 864657148 /nfs/dbraw/zinc/65/71/48/864657148.db2.gz KWCBJFVDYBREDH-FGTMMUONSA-N 1 0 388.512 3.659 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(OC)c1 ZINC000607739563 864665914 /nfs/dbraw/zinc/66/59/14/864665914.db2.gz GFMYGCDYUCXGMK-YADHBBJMSA-N 1 0 381.516 3.728 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000475275282 864678114 /nfs/dbraw/zinc/67/81/14/864678114.db2.gz BETMRGAGWKDMRJ-YQQQUEKLSA-N 1 0 383.536 3.609 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1)C(=O)OC(C)(C)C ZINC000735309233 864735899 /nfs/dbraw/zinc/73/58/99/864735899.db2.gz JQFMLJXEYCXCOV-HNNXBMFYSA-N 1 0 393.915 3.931 20 30 GHEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000659304338 864834342 /nfs/dbraw/zinc/83/43/42/864834342.db2.gz BDBHDSNRMNLYFD-GXSJLCMTSA-N 1 0 386.311 3.785 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ncccc2O)cc1OCC ZINC000475354418 864842182 /nfs/dbraw/zinc/84/21/82/864842182.db2.gz ZBZXFBPHCOCFMN-UHFFFAOYSA-N 1 0 393.281 3.803 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480584083 864884441 /nfs/dbraw/zinc/88/44/41/864884441.db2.gz RHSXMJHKOXZPBD-HDICACEKSA-N 1 0 390.437 3.953 20 30 GHEDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H]1C ZINC000475372459 864887205 /nfs/dbraw/zinc/88/72/05/864887205.db2.gz OCHUKPXHYYVLJZ-JTSKRJEESA-N 1 0 378.472 3.768 20 30 GHEDRO C#Cc1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)cn1 ZINC000776902493 881821397 /nfs/dbraw/zinc/82/13/97/881821397.db2.gz CRHFKAWHNHSARD-FQEVSTJZSA-N 1 0 383.442 3.687 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508474988 864972456 /nfs/dbraw/zinc/97/24/56/864972456.db2.gz XHISMPZKKGJAMM-UHFFFAOYSA-N 1 0 383.515 3.506 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000736357311 865188216 /nfs/dbraw/zinc/18/82/16/865188216.db2.gz SORPECKMUYWMIE-IBGZPJMESA-N 1 0 398.551 3.764 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c(C(F)(F)F)c1 ZINC000554979599 865263069 /nfs/dbraw/zinc/26/30/69/865263069.db2.gz VFQOPJRGAUFLMI-LJQANCHMSA-N 1 0 389.421 3.568 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000063754076 865306195 /nfs/dbraw/zinc/30/61/95/865306195.db2.gz OICQEFIMJANVBU-QHCPKHFHSA-N 1 0 390.483 3.600 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2OC(C)C)CC1 ZINC000171714632 865341599 /nfs/dbraw/zinc/34/15/99/865341599.db2.gz WWMVSVUCJHMMBA-UHFFFAOYSA-N 1 0 381.314 3.617 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CC1 ZINC000171739101 865349791 /nfs/dbraw/zinc/34/97/91/865349791.db2.gz GBMFQCRTQXBWEW-UHFFFAOYSA-N 1 0 382.464 3.612 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1 ZINC000171739836 865350215 /nfs/dbraw/zinc/35/02/15/865350215.db2.gz PTHXFFQIVXYYDZ-UHFFFAOYSA-N 1 0 384.524 3.521 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000171532581 865370438 /nfs/dbraw/zinc/37/04/38/865370438.db2.gz CEKHZSWMTADWDX-NRFANRHFSA-N 1 0 396.535 3.593 20 30 GHEDRO N#CC(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000193059673 865404096 /nfs/dbraw/zinc/40/40/96/865404096.db2.gz LUAIVLIFITZYFE-XMMPIXPASA-N 1 0 389.543 3.683 20 30 GHEDRO Cc1nc(SCC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(C#N)c(C)c1C ZINC000063822247 865437137 /nfs/dbraw/zinc/43/71/37/865437137.db2.gz SRYLHSDEVXTIOV-HNNXBMFYSA-N 1 0 388.581 3.741 20 30 GHEDRO Cc1nc(-c2ccco2)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000101814966 865461792 /nfs/dbraw/zinc/46/17/92/865461792.db2.gz MQFNSVGZAABCRK-UHFFFAOYSA-N 1 0 388.471 3.726 20 30 GHEDRO CCS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000480917666 865506765 /nfs/dbraw/zinc/50/67/65/865506765.db2.gz ZGCGJGAFNGLPRL-MSOLQXFVSA-N 1 0 389.565 3.938 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)[NH+](C)C)cc1 ZINC000594243534 865538164 /nfs/dbraw/zinc/53/81/64/865538164.db2.gz PJPNTOAUSVTNON-JOCHJYFZSA-N 1 0 392.503 3.674 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)C2 ZINC000594245379 865578852 /nfs/dbraw/zinc/57/88/52/865578852.db2.gz SBUMOWAOSMEJQD-OAQYLSRUSA-N 1 0 388.515 3.886 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC(=O)Nc1cccc(C#N)c1 ZINC000608780140 865688310 /nfs/dbraw/zinc/68/83/10/865688310.db2.gz DFWJSVUENUGSCG-UHFFFAOYSA-N 1 0 392.434 3.855 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508479688 865705689 /nfs/dbraw/zinc/70/56/89/865705689.db2.gz ZSAPZZRCGYJDGZ-QGZVFWFLSA-N 1 0 399.514 3.808 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000594307227 865747657 /nfs/dbraw/zinc/74/76/57/865747657.db2.gz KRCIKWLTLDIOCX-UXHICEINSA-N 1 0 375.516 3.860 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CNc1ccc(C#N)cc1 ZINC000608877763 865783038 /nfs/dbraw/zinc/78/30/38/865783038.db2.gz VEOLTMJNCPGFIU-QFIPXVFZSA-N 1 0 390.531 3.559 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000594312352 865792476 /nfs/dbraw/zinc/79/24/76/865792476.db2.gz BBMKILYSUCDMMP-GOSISDBHSA-N 1 0 391.515 3.580 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1C#N ZINC000174579393 865928429 /nfs/dbraw/zinc/92/84/29/865928429.db2.gz IIKKFZLXMHCECM-LJQANCHMSA-N 1 0 381.476 3.922 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740483414 865929503 /nfs/dbraw/zinc/92/95/03/865929503.db2.gz AGFMYGVTZXZTRQ-IBGZPJMESA-N 1 0 382.533 3.768 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000481185201 865949194 /nfs/dbraw/zinc/94/91/94/865949194.db2.gz WHSAOAIKQAWSGM-JXFKEZNVSA-N 1 0 396.922 3.650 20 30 GHEDRO COCC1(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000857034913 881946804 /nfs/dbraw/zinc/94/68/04/881946804.db2.gz BXRNAQXLZMEKQN-UHFFFAOYSA-N 1 0 384.520 3.932 20 30 GHEDRO [NH3+][C@@H]1CCCN(c2cc(NCC#Cc3ccccc3)nc(Oc3ccccc3)n2)C1 ZINC001170425839 881944628 /nfs/dbraw/zinc/94/46/28/881944628.db2.gz HBAIFCAUSZHLGX-HXUWFJFHSA-N 1 0 399.498 3.660 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000741067833 866212879 /nfs/dbraw/zinc/21/28/79/866212879.db2.gz PMDGGRDDSMZRLY-LJQANCHMSA-N 1 0 377.488 3.827 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000478530955 866242238 /nfs/dbraw/zinc/24/22/38/866242238.db2.gz TXGZSNDWTVGMPA-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)[C@H](C)Oc3ccc(C#N)cc3)CC[N@@H+]2C)cc1 ZINC000741121605 866243736 /nfs/dbraw/zinc/24/37/36/866243736.db2.gz XCRFFTYGLUANJM-XWFZLUIHSA-N 1 0 394.471 3.570 20 30 GHEDRO CON=Cc1ccc(C(=O)OC[C@H]2CC[N@H+](C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000741125023 866255317 /nfs/dbraw/zinc/25/53/17/866255317.db2.gz SMTZCMJYCKEBNJ-CTNGQTDRSA-N 1 0 382.460 3.525 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)ccc1OC ZINC000152473696 866422757 /nfs/dbraw/zinc/42/27/57/866422757.db2.gz ZKOKZALFMCAIEG-FQEVSTJZSA-N 1 0 386.536 3.921 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000303979700 866435110 /nfs/dbraw/zinc/43/51/10/866435110.db2.gz NJXOAGCFTXSZBY-UHFFFAOYSA-N 1 0 389.297 3.740 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000552952650 866525715 /nfs/dbraw/zinc/52/57/15/866525715.db2.gz FBNNIFJGMNTTSG-UHFFFAOYSA-N 1 0 391.924 3.530 20 30 GHEDRO [NH2+]=C(NCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2c(c1)CCC2 ZINC000262542822 866609675 /nfs/dbraw/zinc/60/96/75/866609675.db2.gz SSEUJXZUYRAUKN-UHFFFAOYSA-N 1 0 381.867 3.848 20 30 GHEDRO [NH2+]=C(NCC1(c2ccccc2Cl)CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000262542887 866615835 /nfs/dbraw/zinc/61/58/35/866615835.db2.gz SYLHIIDWMLDYIL-IBGZPJMESA-N 1 0 399.922 3.816 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCC2(c3ccc(F)cc3Cl)CC2)c1 ZINC000305735032 866633417 /nfs/dbraw/zinc/63/34/17/866633417.db2.gz WURNNZZYGLCMFP-UHFFFAOYSA-N 1 0 377.847 3.955 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1C#N ZINC000128213855 866664778 /nfs/dbraw/zinc/66/47/78/866664778.db2.gz AKNOBUDZJWKKLP-UHFFFAOYSA-N 1 0 383.452 3.553 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000112521896 866731436 /nfs/dbraw/zinc/73/14/36/866731436.db2.gz YWNHHLNONNGVAQ-CVEARBPZSA-N 1 0 385.533 3.960 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000909605370 866863837 /nfs/dbraw/zinc/86/38/37/866863837.db2.gz XAEXJMGNOAZWMK-SFHVURJKSA-N 1 0 380.467 3.532 20 30 GHEDRO C=C(C)[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000478918414 866878329 /nfs/dbraw/zinc/87/83/29/866878329.db2.gz VSXIJIBUWOPLPF-JOCHJYFZSA-N 1 0 399.485 3.759 20 30 GHEDRO CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440462021 866890024 /nfs/dbraw/zinc/89/00/24/866890024.db2.gz NCYUTBYDONBEDI-UHFFFAOYSA-N 1 0 387.487 3.705 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCCCn1cc(Br)cn1 ZINC000793207298 882034308 /nfs/dbraw/zinc/03/43/08/882034308.db2.gz ONLDPNGVFYLDPD-UHFFFAOYSA-N 1 0 396.716 3.881 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189893758 882035854 /nfs/dbraw/zinc/03/58/54/882035854.db2.gz JZKHKLVGYLVQAZ-GCJKJVERSA-N 1 0 377.488 3.691 20 30 GHEDRO C=CC[C@H]1[N@H+](CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000444776599 867221056 /nfs/dbraw/zinc/22/10/56/867221056.db2.gz POGFWDQNPYZPGH-HXUWFJFHSA-N 1 0 392.565 3.876 20 30 GHEDRO N#CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000534685430 867247889 /nfs/dbraw/zinc/24/78/89/867247889.db2.gz PVGDYYNJHBKVAS-LJQANCHMSA-N 1 0 387.405 3.776 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc(OC)c1OC ZINC000742396697 867261609 /nfs/dbraw/zinc/26/16/09/867261609.db2.gz FIVVDQDAAGOGDH-FQEVSTJZSA-N 1 0 382.504 3.773 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000534736712 867386151 /nfs/dbraw/zinc/38/61/51/867386151.db2.gz WHXXOVMPIKFBST-UHFFFAOYSA-N 1 0 389.421 3.975 20 30 GHEDRO C=CCOCCCC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000742579611 867390729 /nfs/dbraw/zinc/39/07/29/867390729.db2.gz WTOSICJXWVRRKP-UHFFFAOYSA-N 1 0 379.932 3.793 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000553460412 867462872 /nfs/dbraw/zinc/46/28/72/867462872.db2.gz REXMDODZNOACMX-GOSISDBHSA-N 1 0 383.467 3.862 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508839633 867498030 /nfs/dbraw/zinc/49/80/30/867498030.db2.gz GQHORHKTSQOADU-HXUWFJFHSA-N 1 0 397.567 3.828 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1C ZINC000155035648 867718478 /nfs/dbraw/zinc/71/84/78/867718478.db2.gz MYZHKPJTNHIVET-SFHVURJKSA-N 1 0 395.551 3.787 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccccc1Br)C(C)C ZINC000523655395 867725188 /nfs/dbraw/zinc/72/51/88/867725188.db2.gz RBQCRDVZGWVPCQ-GOSISDBHSA-N 1 0 379.342 3.806 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000553586698 867735980 /nfs/dbraw/zinc/73/59/80/867735980.db2.gz UMKHBNJJCUTDHF-GOSISDBHSA-N 1 0 397.441 3.986 20 30 GHEDRO Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183774231 867805925 /nfs/dbraw/zinc/80/59/25/867805925.db2.gz NLXMGLXULYNMTM-QGZVFWFLSA-N 1 0 380.492 3.788 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743195008 867940072 /nfs/dbraw/zinc/94/00/72/867940072.db2.gz RQUWNEJNBYNYCW-LJQANCHMSA-N 1 0 395.478 3.824 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000743198021 867945616 /nfs/dbraw/zinc/94/56/16/867945616.db2.gz LEYJOVGWOIOWJO-IRXDYDNUSA-N 1 0 375.488 3.717 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)CC1 ZINC000553710862 867979814 /nfs/dbraw/zinc/97/98/14/867979814.db2.gz CGDVBJMCWHPQHM-IBGZPJMESA-N 1 0 399.579 3.607 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000620909650 867987922 /nfs/dbraw/zinc/98/79/22/867987922.db2.gz KGQWRTYATKRTEH-UHFFFAOYSA-N 1 0 376.500 3.914 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000743462546 868212695 /nfs/dbraw/zinc/21/26/95/868212695.db2.gz JFWMMQMVNCKODD-ROUUACIJSA-N 1 0 395.503 3.998 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508844597 868282847 /nfs/dbraw/zinc/28/28/47/868282847.db2.gz JDPXKXCLSQXKEJ-RBUKOAKNSA-N 1 0 382.556 3.560 20 30 GHEDRO N#CCCC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000457488922 868347970 /nfs/dbraw/zinc/34/79/70/868347970.db2.gz KWMHBADQLNPTLM-YADHBBJMSA-N 1 0 376.504 3.995 20 30 GHEDRO C#CCCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000743692536 868364924 /nfs/dbraw/zinc/36/49/24/868364924.db2.gz HBLCRVHHJYOIME-WMZOPIPTSA-N 1 0 381.442 3.801 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(C)c(C#N)cn3)ccc21 ZINC000457508709 868399949 /nfs/dbraw/zinc/39/99/49/868399949.db2.gz QHQJMTIZMXCBJT-UHFFFAOYSA-N 1 0 375.476 3.811 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000524103963 868532526 /nfs/dbraw/zinc/53/25/26/868532526.db2.gz HWFRAVUXHCEHGJ-ROUUACIJSA-N 1 0 395.503 3.625 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157226452 868597068 /nfs/dbraw/zinc/59/70/68/868597068.db2.gz RZZOESPLDCNIGK-YADHBBJMSA-N 1 0 396.579 3.889 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H](O)c1ccc(F)cc1 ZINC000744402471 868811534 /nfs/dbraw/zinc/81/15/34/868811534.db2.gz BNKIUXBDVWLYQN-OAQYLSRUSA-N 1 0 383.467 3.718 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C#N ZINC000535471069 868823630 /nfs/dbraw/zinc/82/36/30/868823630.db2.gz YVXXIUOREZCEGF-QUCCMNQESA-N 1 0 392.528 3.728 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445991478 869259700 /nfs/dbraw/zinc/25/97/00/869259700.db2.gz LSCITOUJPQDSHN-AOIWGVFYSA-N 1 0 381.442 3.986 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443082831 869345536 /nfs/dbraw/zinc/34/55/36/869345536.db2.gz ZHKKCASNJJGZFI-AWEZNQCLSA-N 1 0 391.924 3.619 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CCCc3sccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000539793872 869792947 /nfs/dbraw/zinc/79/29/47/869792947.db2.gz VLTSIFJNLUFVBN-IBGZPJMESA-N 1 0 379.529 3.843 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)CC1 ZINC000446408423 869801519 /nfs/dbraw/zinc/80/15/19/869801519.db2.gz JTTVGOCAICZDQT-UHFFFAOYSA-N 1 0 389.450 3.527 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1sc(C)nc1C ZINC000462694839 869906102 /nfs/dbraw/zinc/90/61/02/869906102.db2.gz IILALEOXOSAVSO-UHFFFAOYSA-N 1 0 377.583 3.858 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccccc1CC ZINC000746026735 869954060 /nfs/dbraw/zinc/95/40/60/869954060.db2.gz VQOWSRUGCCQHRU-UHFFFAOYSA-O 1 0 381.521 3.944 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000539887654 869974537 /nfs/dbraw/zinc/97/45/37/869974537.db2.gz UELHCCPGOCFKPU-UHFFFAOYSA-N 1 0 387.524 3.601 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CCSc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000538693353 870314798 /nfs/dbraw/zinc/31/47/98/870314798.db2.gz FAWDHALZUPHHTA-FQEVSTJZSA-N 1 0 391.540 3.941 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000609108623 870430059 /nfs/dbraw/zinc/43/00/59/870430059.db2.gz IRCSHMVHODKSCV-QHCPKHFHSA-N 1 0 394.563 3.642 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(-c2ccccc2)n1 ZINC000092661393 882409945 /nfs/dbraw/zinc/40/99/45/882409945.db2.gz JTAQSERGSSBMLN-JOCHJYFZSA-N 1 0 394.519 3.624 20 30 GHEDRO C=CC[N@H+](Cc1cccc2c1OCCCO2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732155 870466008 /nfs/dbraw/zinc/46/60/08/870466008.db2.gz OCAXWAKISTWHOF-QGZVFWFLSA-N 1 0 391.475 3.573 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)C(C)(C)C)cc1OCC ZINC000446832357 870510267 /nfs/dbraw/zinc/51/02/67/870510267.db2.gz BCIRPQAAIDGHDT-INIZCTEOSA-N 1 0 386.330 3.909 20 30 GHEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000193301879 870538603 /nfs/dbraw/zinc/53/86/03/870538603.db2.gz RSXHKNQYUGOLEI-UHFFFAOYSA-N 1 0 380.492 3.750 20 30 GHEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC001192616892 870564224 /nfs/dbraw/zinc/56/42/24/870564224.db2.gz OIYHWPCYKSYGGA-LPTQZCDUSA-N 1 0 392.886 3.926 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000552024632 870620961 /nfs/dbraw/zinc/62/09/61/870620961.db2.gz SFUOLPUXQMVNIB-NWDGAFQWSA-N 1 0 379.489 3.663 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000248786620 870633273 /nfs/dbraw/zinc/63/32/73/870633273.db2.gz IKDFNZRZAXWPGQ-QIJUGHKUSA-N 1 0 376.504 3.851 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000525407595 870640340 /nfs/dbraw/zinc/64/03/40/870640340.db2.gz AOQMGXROTOVJSL-GOSISDBHSA-N 1 0 382.435 3.680 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)s1 ZINC000746421155 870646464 /nfs/dbraw/zinc/64/64/64/870646464.db2.gz JDSKOFHUAZKTSY-SFHVURJKSA-N 1 0 394.544 3.914 20 30 GHEDRO C[C@@H]1CN([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)c2c(F)cccc2Cl)CCO1 ZINC000248911613 870688434 /nfs/dbraw/zinc/68/84/34/870688434.db2.gz VLSSWGXWZCGJBS-PASDCYSWSA-N 1 0 379.907 3.913 20 30 GHEDRO COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(OC)c(C#N)c3)c2C)cc1 ZINC000766440357 870770709 /nfs/dbraw/zinc/77/07/09/870770709.db2.gz ULOLGBSCDXTQMK-UHFFFAOYSA-N 1 0 390.487 3.727 20 30 GHEDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000128060514 870780924 /nfs/dbraw/zinc/78/09/24/870780924.db2.gz WAHNGUARKSCHAF-IRXDYDNUSA-N 1 0 395.503 3.663 20 30 GHEDRO N#Cc1ccncc1C(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001192971985 870824577 /nfs/dbraw/zinc/82/45/77/870824577.db2.gz ZUYMEDBMMJUVIK-HSZRJFAPSA-N 1 0 396.494 3.870 20 30 GHEDRO COc1cccc([C@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000461770102 870911597 /nfs/dbraw/zinc/91/15/97/870911597.db2.gz VGGOFUKLIFDRCH-JTSKRJEESA-N 1 0 377.488 3.624 20 30 GHEDRO CN(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000181387928 870958933 /nfs/dbraw/zinc/95/89/33/870958933.db2.gz GEHDWHQTNOXECJ-HSZRJFAPSA-N 1 0 380.511 3.554 20 30 GHEDRO COCCOCCOc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC001168875121 870960242 /nfs/dbraw/zinc/96/02/42/870960242.db2.gz XLLBSOKDWYPNTL-UHFFFAOYSA-N 1 0 392.499 3.889 20 30 GHEDRO CN1CCC2(CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)C1=O ZINC000447088160 870971323 /nfs/dbraw/zinc/97/13/23/870971323.db2.gz QZSYQAPKHBNSFM-UHFFFAOYSA-N 1 0 389.499 3.582 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2c(C)onc2-c2c(Cl)cccc2OC)CC1 ZINC000475648093 870980615 /nfs/dbraw/zinc/98/06/15/870980615.db2.gz GCTFESNLXKDUEG-UHFFFAOYSA-N 1 0 389.883 3.692 20 30 GHEDRO C=CC[C@H](CO)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000540328685 871032832 /nfs/dbraw/zinc/03/28/32/871032832.db2.gz QVWWXODLRMQFDE-SFHVURJKSA-N 1 0 377.488 3.822 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(Cn4ccnc4)c3)CC2)cc1 ZINC000181471175 871048813 /nfs/dbraw/zinc/04/88/13/871048813.db2.gz UPVWDLZEUKDBHQ-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429700676 871050321 /nfs/dbraw/zinc/05/03/21/871050321.db2.gz SXYUZTCXGZITBC-DEOSSOPVSA-N 1 0 375.516 3.837 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000540365154 871123088 /nfs/dbraw/zinc/12/30/88/871123088.db2.gz DTSLMSKRYGLXNN-PXNSSMCTSA-N 1 0 383.467 3.544 20 30 GHEDRO C[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cccc(C#N)c1 ZINC000461902984 871201011 /nfs/dbraw/zinc/20/10/11/871201011.db2.gz RYERDTFOLYZFBX-DYESRHJHSA-N 1 0 389.499 3.766 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cc(C#N)ccc2OC)CC1 ZINC000181630607 871293011 /nfs/dbraw/zinc/29/30/11/871293011.db2.gz YGHRZETXABVGTG-KRWDZBQOSA-N 1 0 396.510 3.699 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)CC1 ZINC000609322459 882509610 /nfs/dbraw/zinc/50/96/10/882509610.db2.gz LOJNZKALJSINOY-UHFFFAOYSA-N 1 0 379.888 3.677 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)cc1 ZINC000041466091 871440283 /nfs/dbraw/zinc/44/02/83/871440283.db2.gz CYLDUWNYBWKQFV-UHFFFAOYSA-O 1 0 377.489 3.826 20 30 GHEDRO C[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000462024990 871450676 /nfs/dbraw/zinc/45/06/76/871450676.db2.gz CZSCTPHIKHBBRM-HXUWFJFHSA-N 1 0 375.516 3.829 20 30 GHEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447392451 871524505 /nfs/dbraw/zinc/52/45/05/871524505.db2.gz BSPBRRHPAQJEDE-CVEARBPZSA-N 1 0 385.533 3.689 20 30 GHEDRO C=CC[C@H](CO)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000539226715 871543367 /nfs/dbraw/zinc/54/33/67/871543367.db2.gz VUTMOZSUHDSBSL-HNNXBMFYSA-N 1 0 378.314 3.526 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001194239606 871579135 /nfs/dbraw/zinc/57/91/35/871579135.db2.gz CQXCXIQZUVHYHE-SNCIUUNGSA-N 1 0 376.589 3.504 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000181891978 871586061 /nfs/dbraw/zinc/58/60/61/871586061.db2.gz QKJUUYKHWQVQNQ-NLFFAJNJSA-N 1 0 388.559 3.775 20 30 GHEDRO C=C(C)C[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)Cc1ccc(CO)o1 ZINC001194250485 871586499 /nfs/dbraw/zinc/58/64/99/871586499.db2.gz HOTSEKOJAMGAEY-UHFFFAOYSA-N 1 0 378.513 3.940 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000525858852 871589747 /nfs/dbraw/zinc/58/97/47/871589747.db2.gz RQTIBQNUTDYENN-SOAGJPPSSA-N 1 0 391.450 3.885 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169590167 871652009 /nfs/dbraw/zinc/65/20/09/871652009.db2.gz IUPFOVUZIJBVNU-UHFFFAOYSA-N 1 0 394.822 3.606 20 30 GHEDRO Cc1nc(Cl)c(C#N)c(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)n1 ZINC001169607822 871669755 /nfs/dbraw/zinc/66/97/55/871669755.db2.gz XFYHLVCWVSFQLV-UHFFFAOYSA-N 1 0 395.772 3.654 20 30 GHEDRO CC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C1 ZINC001169629005 871691562 /nfs/dbraw/zinc/69/15/62/871691562.db2.gz FYWLXOHBUGUFAB-DNQXCXABSA-N 1 0 387.527 3.829 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000182028129 871756054 /nfs/dbraw/zinc/75/60/54/871756054.db2.gz MNENURNVDAHRBJ-RHSMWYFYSA-N 1 0 378.394 3.959 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)c2cccc(C#N)c2)[C@H](C)C2CC2)c(OC)c1 ZINC001169755063 871841057 /nfs/dbraw/zinc/84/10/57/871841057.db2.gz RPTOWMNPWLKDNC-OPAMFIHVSA-N 1 0 380.488 3.910 20 30 GHEDRO N#Cc1cncc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1 ZINC001194676492 871885396 /nfs/dbraw/zinc/88/53/96/871885396.db2.gz XQDLLVOSEKYXOH-OFNKIYASSA-N 1 0 389.430 3.633 20 30 GHEDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000447576544 871920534 /nfs/dbraw/zinc/92/05/34/871920534.db2.gz ZEYJGZHWRVSXKV-FUHWJXTLSA-N 1 0 389.293 3.801 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000921075430 882562231 /nfs/dbraw/zinc/56/22/31/882562231.db2.gz VOOKGOKZKAVIDU-GASCZTMLSA-N 1 0 394.357 3.872 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000921075432 882562600 /nfs/dbraw/zinc/56/26/00/882562600.db2.gz VOOKGOKZKAVIDU-HUUCEWRRSA-N 1 0 394.357 3.872 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618754632 871953004 /nfs/dbraw/zinc/95/30/04/871953004.db2.gz XKVYTGOQCSNGDU-OAQYLSRUSA-N 1 0 378.476 3.698 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000618801469 871972455 /nfs/dbraw/zinc/97/24/55/871972455.db2.gz BBHGUHDUEJZJFJ-IRZJEQJZSA-N 1 0 385.467 3.743 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000618797795 872007303 /nfs/dbraw/zinc/00/73/03/872007303.db2.gz XTFPDYDNQMBGQI-FYYLOGMGSA-N 1 0 390.531 3.798 20 30 GHEDRO CN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000618841223 872053941 /nfs/dbraw/zinc/05/39/41/872053941.db2.gz SNCWHBZUKWMCQH-QHCPKHFHSA-N 1 0 388.515 3.852 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000463589185 872101277 /nfs/dbraw/zinc/10/12/77/872101277.db2.gz GSHOGUSXVKXTAR-HKUYNNGSSA-N 1 0 380.488 3.825 20 30 GHEDRO N#Cc1cc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000463657662 872310267 /nfs/dbraw/zinc/31/02/67/872310267.db2.gz JZLILJPGQMWMPZ-UHFFFAOYSA-N 1 0 380.448 3.596 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000101906222 872357806 /nfs/dbraw/zinc/35/78/06/872357806.db2.gz JHBQJAGWOCIDQU-QGZVFWFLSA-N 1 0 386.565 3.900 20 30 GHEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552281814 872385735 /nfs/dbraw/zinc/38/57/35/872385735.db2.gz KRJQZYFCECZIBU-BTYIYWSLSA-N 1 0 383.442 3.943 20 30 GHEDRO COC(=O)/C=C/c1ccc(OCC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000767331434 872401952 /nfs/dbraw/zinc/40/19/52/872401952.db2.gz JQJSCCYDCFKGBK-IZZDOVSWSA-N 1 0 388.467 3.913 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[N@@H+](C)CC)C2)cc1OC ZINC000093770363 872410017 /nfs/dbraw/zinc/41/00/17/872410017.db2.gz JGVUPOGQXIHUOF-HNNXBMFYSA-N 1 0 397.357 3.796 20 30 GHEDRO CN(CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cc[nH+]cc1 ZINC000540927051 872482062 /nfs/dbraw/zinc/48/20/62/872482062.db2.gz XCKFTPLWRYTJNZ-UHFFFAOYSA-N 1 0 386.455 3.997 20 30 GHEDRO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC001195756290 872612591 /nfs/dbraw/zinc/61/25/91/872612591.db2.gz FQRQWBJBDVYOAE-QFIPXVFZSA-N 1 0 381.907 3.925 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000857927726 882644730 /nfs/dbraw/zinc/64/47/30/882644730.db2.gz VYUJWIBMFDDOJG-LJQANCHMSA-N 1 0 386.455 3.736 20 30 GHEDRO O=C(N1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)Cc2ccccc21)C(F)(F)F ZINC001195937887 872738251 /nfs/dbraw/zinc/73/82/51/872738251.db2.gz HQHNZHGDZLGOTA-KRWDZBQOSA-N 1 0 392.808 3.801 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc2c1OCC[C@@H]2OC)C(C)C ZINC000448050309 872775390 /nfs/dbraw/zinc/77/53/90/872775390.db2.gz TZWTYPOAEWBZQE-PMACEKPBSA-N 1 0 387.524 3.977 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(CC#N)CC1 ZINC000541034625 872803574 /nfs/dbraw/zinc/80/35/74/872803574.db2.gz FHGRIOVSMLSWLQ-OAQYLSRUSA-N 1 0 382.552 3.795 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NS(=O)(=O)c1c(C)cccc1C#N)c1ccccc1 ZINC001196021862 872821048 /nfs/dbraw/zinc/82/10/48/872821048.db2.gz QXVVCBXABAGURX-HXUWFJFHSA-N 1 0 385.533 3.618 20 30 GHEDRO COC(=O)c1cccc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000527299002 872975604 /nfs/dbraw/zinc/97/56/04/872975604.db2.gz JXWKYTKGCBDJPK-CYGODWOOSA-N 1 0 391.515 3.591 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000619785567 872998100 /nfs/dbraw/zinc/99/81/00/872998100.db2.gz UTGYYPJUJCGDCC-KAOXLYBCSA-N 1 0 376.500 3.903 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619826949 873060592 /nfs/dbraw/zinc/06/05/92/873060592.db2.gz OZXZMVPNFMXCBI-UHFFFAOYSA-N 1 0 384.911 3.921 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)C[C@H]2CC2(C)C)cc1 ZINC001196470388 873118663 /nfs/dbraw/zinc/11/86/63/873118663.db2.gz OZQICMSBAUHJQP-QGZVFWFLSA-N 1 0 394.519 3.891 20 30 GHEDRO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000746496093 873137678 /nfs/dbraw/zinc/13/76/78/873137678.db2.gz TZUFTLOQPGLHOU-VFOSSOBBSA-N 1 0 381.564 3.531 20 30 GHEDRO C=CCC1(c2nc([C@H]3CN(Cc4ccccc4C)CCO3)no2)CCOCC1 ZINC000867179406 873157927 /nfs/dbraw/zinc/15/79/27/873157927.db2.gz ALRMZBVMGIHYHJ-LJQANCHMSA-N 1 0 383.492 3.576 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000768501130 873339262 /nfs/dbraw/zinc/33/92/62/873339262.db2.gz UCGKPKYGFRBSJH-WOJBJXKFSA-N 1 0 397.592 3.949 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000768553690 873382559 /nfs/dbraw/zinc/38/25/59/873382559.db2.gz FLVLAPSQHXZRMW-FQEVSTJZSA-N 1 0 399.535 3.847 20 30 GHEDRO C=CC[N@H+](Cc1cncc(Br)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000541349812 873411084 /nfs/dbraw/zinc/41/10/84/873411084.db2.gz UQSJKWRVKXBEHJ-AWEZNQCLSA-N 1 0 399.296 3.569 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858015155 882725713 /nfs/dbraw/zinc/72/57/13/882725713.db2.gz WRMNZKHRNQZDOM-JOCHJYFZSA-N 1 0 376.504 3.962 20 30 GHEDRO CC1CC[NH+](CC[C@@H]2CCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001196937035 873488229 /nfs/dbraw/zinc/48/82/29/873488229.db2.gz VVYDHRMRMPLILC-IBGZPJMESA-N 1 0 388.943 3.737 20 30 GHEDRO CCCOc1cccnc1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001196940223 873489495 /nfs/dbraw/zinc/48/94/95/873489495.db2.gz HVEFJZRVZHGAEE-MXVIHJGJSA-N 1 0 392.503 3.654 20 30 GHEDRO O=C(C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1)N1CCCCC1 ZINC000177048944 882729609 /nfs/dbraw/zinc/72/96/09/882729609.db2.gz JPZMTKNICHOJOM-UHFFFAOYSA-N 1 0 378.438 3.781 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000527725809 873500941 /nfs/dbraw/zinc/50/09/41/873500941.db2.gz ALUSOYAWBYCVCO-HSZRJFAPSA-N 1 0 383.536 3.596 20 30 GHEDRO C[C@@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)COc2ccccc2O1 ZINC000527738204 873542257 /nfs/dbraw/zinc/54/22/57/873542257.db2.gz XTNATMQYZRJMDQ-HSZRJFAPSA-N 1 0 388.471 3.783 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000768797226 873588321 /nfs/dbraw/zinc/58/83/21/873588321.db2.gz HFHPHUKSTDAVHF-QGZVFWFLSA-N 1 0 383.879 3.598 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 ZINC001197246190 873671896 /nfs/dbraw/zinc/67/18/96/873671896.db2.gz PVWIGUCZLNXAFC-RTBURBONSA-N 1 0 378.557 3.815 20 30 GHEDRO Fc1cccc2c1CCC2=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000921254818 882753243 /nfs/dbraw/zinc/75/32/43/882753243.db2.gz DMOLADFPLRHTPT-UHFFFAOYSA-N 1 0 396.535 3.605 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)C1CCCCC1 ZINC000769145215 873838739 /nfs/dbraw/zinc/83/87/39/873838739.db2.gz FCACDFINZDVSQR-SFHVURJKSA-N 1 0 386.536 3.709 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000769311802 873957335 /nfs/dbraw/zinc/95/73/35/873957335.db2.gz OALWNCFPNIWZEB-HXUWFJFHSA-N 1 0 378.472 3.722 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000541632669 874001696 /nfs/dbraw/zinc/00/16/96/874001696.db2.gz JRKSQMFRZHLURW-CABCVRRESA-N 1 0 389.421 3.975 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000528146727 874140958 /nfs/dbraw/zinc/14/09/58/874140958.db2.gz IWBFTWHWDTYZPL-HXUWFJFHSA-N 1 0 396.535 3.518 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000528146726 874141109 /nfs/dbraw/zinc/14/11/09/874141109.db2.gz IWBFTWHWDTYZPL-FQEVSTJZSA-N 1 0 396.535 3.518 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001198132513 874225474 /nfs/dbraw/zinc/22/54/74/874225474.db2.gz YQQCMKJAAQEVAJ-UHFFFAOYSA-N 1 0 399.535 3.905 20 30 GHEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000541763040 874232257 /nfs/dbraw/zinc/23/22/57/874232257.db2.gz YAXZUGIKKRKWAM-UHFFFAOYSA-N 1 0 390.256 3.887 20 30 GHEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000464738825 874378883 /nfs/dbraw/zinc/37/88/83/874378883.db2.gz OQDDBVFLKCPALT-UZLBHIALSA-N 1 0 388.556 3.852 20 30 GHEDRO CN(CCC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000769942540 874379731 /nfs/dbraw/zinc/37/97/31/874379731.db2.gz YVSLJENKDMRYKE-HXUWFJFHSA-N 1 0 387.524 3.561 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000609139308 874388730 /nfs/dbraw/zinc/38/87/30/874388730.db2.gz YTHUECQVRDXDEX-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000464778907 874474614 /nfs/dbraw/zinc/47/46/14/874474614.db2.gz TVXDNHAPQKXARH-GOSISDBHSA-N 1 0 390.959 3.559 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000464814374 874541829 /nfs/dbraw/zinc/54/18/29/874541829.db2.gz LWCPAPJEABNMAH-WOJBJXKFSA-N 1 0 379.529 3.795 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@@H+](CCc2cccc(F)c2)C2CCCC2)cc1 ZINC000464876004 874697901 /nfs/dbraw/zinc/69/79/01/874697901.db2.gz FHQMXWQBTCNKOA-UHFFFAOYSA-N 1 0 379.479 3.801 20 30 GHEDRO COc1cccc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)CC2(C)C)c1 ZINC000528616869 874800698 /nfs/dbraw/zinc/80/06/98/874800698.db2.gz BVAXMUWLYQWPAA-REWPJTCUSA-N 1 0 394.515 3.627 20 30 GHEDRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cc(C#N)cs2)cc1Br ZINC000449601364 875125809 /nfs/dbraw/zinc/12/58/09/875125809.db2.gz RGLQHNBOHPMKKR-HNNXBMFYSA-N 1 0 379.323 3.632 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134464117 882900395 /nfs/dbraw/zinc/90/03/95/882900395.db2.gz VKFSTFZCUFXQIR-KBPBESRZSA-N 1 0 387.471 3.930 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3c(Cl)nc4ccccn43)cc2)CC1 ZINC000771524390 875312545 /nfs/dbraw/zinc/31/25/45/875312545.db2.gz IYEWHOVJEFDWCQ-YFHOEESVSA-N 1 0 380.879 3.636 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475734579 882927187 /nfs/dbraw/zinc/92/71/87/882927187.db2.gz YPPXXTPYJQBXKP-OAHLLOKOSA-N 1 0 392.341 3.669 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001201313916 875626055 /nfs/dbraw/zinc/62/60/55/875626055.db2.gz DTBRQZWDWSCZOS-GOSISDBHSA-N 1 0 389.858 3.916 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000858219295 882951113 /nfs/dbraw/zinc/95/11/13/882951113.db2.gz HHSVVNQKHCDHHY-PMACEKPBSA-N 1 0 384.524 3.574 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1 ZINC000029985078 875764698 /nfs/dbraw/zinc/76/46/98/875764698.db2.gz MMPZPJOQAHHVMS-UHFFFAOYSA-N 1 0 379.529 3.847 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 ZINC000029985469 875764796 /nfs/dbraw/zinc/76/47/96/875764796.db2.gz VRSNBPWRHFIVQW-UHFFFAOYSA-N 1 0 386.455 3.561 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@H]2OC[C@@H](C(=O)NCc3ccco3)C[C@H]2C1 ZINC001201814137 875872167 /nfs/dbraw/zinc/87/21/67/875872167.db2.gz MEXNXASSDYXRJY-IRFCIJBXSA-N 1 0 376.541 3.983 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450060915 875883613 /nfs/dbraw/zinc/88/36/13/875883613.db2.gz OKVWLNGKFYMLKF-UGKGYDQZSA-N 1 0 378.516 3.963 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000450047648 875889133 /nfs/dbraw/zinc/88/91/33/875889133.db2.gz MPVBIAOCLRGDON-AUSIDOKSSA-N 1 0 378.516 3.821 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC001202102088 876003225 /nfs/dbraw/zinc/00/32/25/876003225.db2.gz UAQFVLCOQZTUPV-UHFFFAOYSA-N 1 0 397.350 3.817 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)cc1 ZINC000858272993 882994845 /nfs/dbraw/zinc/99/48/45/882994845.db2.gz QQALVKJCTQYEHW-UHFFFAOYSA-N 1 0 391.515 3.579 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cc(C)cc(C)c2)c1 ZINC000151914056 876107518 /nfs/dbraw/zinc/10/75/18/876107518.db2.gz HTYYQPXOQVTMLZ-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1C#N ZINC001202367565 876165901 /nfs/dbraw/zinc/16/59/01/876165901.db2.gz FLUZUYVBFYLNMU-GOSISDBHSA-N 1 0 399.495 3.513 20 30 GHEDRO N#C[C@]1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CCCC2 ZINC000450299339 876221208 /nfs/dbraw/zinc/22/12/08/876221208.db2.gz OOXJVMAUZQXJEM-DEOSSOPVSA-N 1 0 377.532 3.975 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921492778 883012393 /nfs/dbraw/zinc/01/23/93/883012393.db2.gz ZVSGNAMCPVQELJ-AWEZNQCLSA-N 1 0 377.535 3.501 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000450369819 876340274 /nfs/dbraw/zinc/34/02/74/876340274.db2.gz SKGUHEUWMNXHDZ-UHFFFAOYSA-N 1 0 393.531 3.954 20 30 GHEDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000030637838 876561597 /nfs/dbraw/zinc/56/15/97/876561597.db2.gz NYIYFANCZPEFHG-UHFFFAOYSA-N 1 0 378.520 3.808 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000850110557 876670168 /nfs/dbraw/zinc/67/01/68/876670168.db2.gz TZIPLLVQUASORA-GOSISDBHSA-N 1 0 388.515 3.959 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000850117531 876678710 /nfs/dbraw/zinc/67/87/10/876678710.db2.gz GFGHHRURJMXASZ-UHFFFAOYSA-N 1 0 394.519 3.724 20 30 GHEDRO CC(C)(C#N)CC(=O)O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000786430024 876687467 /nfs/dbraw/zinc/68/74/67/876687467.db2.gz CXMJETKGAGDGLY-RTBURBONSA-N 1 0 389.927 3.866 20 30 GHEDRO C=CCOc1ccc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000537662034 883060729 /nfs/dbraw/zinc/06/07/29/883060729.db2.gz XZJWLCBREWLCKL-LJQANCHMSA-N 1 0 377.960 3.505 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C#N)c1Br ZINC000450638881 876719313 /nfs/dbraw/zinc/71/93/13/876719313.db2.gz UQLMYYJCMGGNEG-KBXCAEBGSA-N 1 0 398.304 3.571 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]CCc3ccc(C#N)cc3)sc2C1 ZINC000850345486 876836249 /nfs/dbraw/zinc/83/62/49/876836249.db2.gz BQIYBDWLKPPZCX-UHFFFAOYSA-N 1 0 398.532 3.640 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2SCCS2)cc1OC ZINC000850400981 876881536 /nfs/dbraw/zinc/88/15/36/876881536.db2.gz RDSWUFBJFXTULP-UHFFFAOYSA-N 1 0 390.368 3.918 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C(F)(F)F)c1 ZINC000850406404 876888249 /nfs/dbraw/zinc/88/82/49/876888249.db2.gz FWBRNJAOMYRVHG-UHFFFAOYSA-N 1 0 389.421 3.828 20 30 GHEDRO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ncc1C#N ZINC000530032905 876998009 /nfs/dbraw/zinc/99/80/09/876998009.db2.gz LBLBVEOQEOHDNN-QGZVFWFLSA-N 1 0 377.275 3.601 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530034341 877002430 /nfs/dbraw/zinc/00/24/30/877002430.db2.gz VKGPMILRXSSLOM-INIZCTEOSA-N 1 0 377.275 3.601 20 30 GHEDRO C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000174433063 877023348 /nfs/dbraw/zinc/02/33/48/877023348.db2.gz CLANVIAPLNVZSN-OAQYLSRUSA-N 1 0 390.531 3.530 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000180817183 883100126 /nfs/dbraw/zinc/10/01/26/883100126.db2.gz XKNDAZWTCIXEHI-OAQYLSRUSA-N 1 0 394.519 3.525 20 30 GHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492667717 877300335 /nfs/dbraw/zinc/30/03/35/877300335.db2.gz FRDUGLNEBAJZFY-GOEBONIOSA-N 1 0 392.341 3.838 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000477273714 877326707 /nfs/dbraw/zinc/32/67/07/877326707.db2.gz MQJJLRLQYYVYJL-UHFFFAOYSA-N 1 0 389.297 3.623 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000610116465 877401774 /nfs/dbraw/zinc/40/17/74/877401774.db2.gz ZVWMGUHTGWFWAL-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cc(OC)ccc1NC(=O)OC(C)(C)C ZINC001183075637 912235086 /nfs/dbraw/zinc/23/50/86/912235086.db2.gz AUWLTPUMWMABFV-UHFFFAOYSA-N 1 0 375.469 3.633 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000610134341 877450794 /nfs/dbraw/zinc/45/07/94/877450794.db2.gz TWWWDYQJYCPMLJ-UHFFFAOYSA-N 1 0 397.544 3.721 20 30 GHEDRO C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000610162774 877465635 /nfs/dbraw/zinc/46/56/35/877465635.db2.gz YDOLFZQUVJHQBD-KNQAVFIVSA-N 1 0 387.487 3.549 20 30 GHEDRO C[C@@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336587 877573123 /nfs/dbraw/zinc/57/31/23/877573123.db2.gz WYWNBYRCLPIKFR-BDJLRTHQSA-N 1 0 394.288 3.580 20 30 GHEDRO CN(C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)C1(C#N)CCCCC1 ZINC000477439864 877652065 /nfs/dbraw/zinc/65/20/65/877652065.db2.gz PZFXJTNNBSMIRJ-UHFFFAOYSA-N 1 0 379.426 3.969 20 30 GHEDRO COc1ccc(C#N)cc1COC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772707973 877669996 /nfs/dbraw/zinc/66/99/96/877669996.db2.gz AYRGIOFMYBIQBK-UHFFFAOYSA-N 1 0 378.472 3.912 20 30 GHEDRO N#Cc1ncc(Br)cc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000787896359 877722069 /nfs/dbraw/zinc/72/20/69/877722069.db2.gz HFWHXDWOAMAWMG-HNNXBMFYSA-N 1 0 377.330 3.808 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC000451303844 877780920 /nfs/dbraw/zinc/78/09/20/877780920.db2.gz HLVXXVOBTZLLBV-GOSISDBHSA-N 1 0 391.393 3.619 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000475669366 877815160 /nfs/dbraw/zinc/81/51/60/877815160.db2.gz RMLKGTFYAMDUEW-JOCHJYFZSA-N 1 0 393.531 3.927 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nc1 ZINC000492987679 877949010 /nfs/dbraw/zinc/94/90/10/877949010.db2.gz AOAAOKRJVRVQHH-RTBURBONSA-N 1 0 392.547 3.509 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451424499 877954243 /nfs/dbraw/zinc/95/42/43/877954243.db2.gz SUFOZDBTLVMZBV-PSBWJHGTSA-N 1 0 387.549 3.502 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000788260323 877965953 /nfs/dbraw/zinc/96/59/53/877965953.db2.gz YZRRVFYROYHPAA-JXFKEZNVSA-N 1 0 380.492 3.567 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000851997217 878023823 /nfs/dbraw/zinc/02/38/23/878023823.db2.gz HQZCTOHKCLRIBU-HSZRJFAPSA-N 1 0 397.563 3.679 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(C#N)cc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC001183146767 912303333 /nfs/dbraw/zinc/30/33/33/912303333.db2.gz AQBIKPATTBXGQA-QGZVFWFLSA-N 1 0 395.503 3.944 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000852087167 878068245 /nfs/dbraw/zinc/06/82/45/878068245.db2.gz DUHJIYTVVUGWGP-WOJBJXKFSA-N 1 0 376.504 3.905 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000615763258 878091923 /nfs/dbraw/zinc/09/19/23/878091923.db2.gz IRPJYNPZRSCQCC-YADHBBJMSA-N 1 0 395.453 3.995 20 30 GHEDRO C#CCC1(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CCCCC1 ZINC000788442386 878093197 /nfs/dbraw/zinc/09/31/97/878093197.db2.gz HWQVJIIULXEYCP-SFHVURJKSA-N 1 0 385.527 3.729 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)c1ccc(F)c(F)c1 ZINC000477751295 878135487 /nfs/dbraw/zinc/13/54/87/878135487.db2.gz PRDKVABTMJNRJA-YLJYHZDGSA-N 1 0 395.494 3.724 20 30 GHEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460561211 878189567 /nfs/dbraw/zinc/18/95/67/878189567.db2.gz PULNSRIKVLFWPZ-UHFFFAOYSA-N 1 0 383.515 3.973 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460588690 878234535 /nfs/dbraw/zinc/23/45/35/878234535.db2.gz YJTFHEZAGDTMOK-CTNGQTDRSA-N 1 0 397.567 3.880 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3cnc(Cl)cc3OC)CC2)C1=O ZINC001275110866 912325213 /nfs/dbraw/zinc/32/52/13/912325213.db2.gz GJNAAEAHWPOIIY-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000451682599 878336914 /nfs/dbraw/zinc/33/69/14/878336914.db2.gz RQUBHZQDZCMDQG-PKTZIBPZSA-N 1 0 378.516 3.648 20 30 GHEDRO O=C(N1CCC[C@H]([C@@H]2CCCC[N@H+]2CC#Cc2ccc(F)cc2)C1)C(F)(F)F ZINC000852473106 878350349 /nfs/dbraw/zinc/35/03/49/878350349.db2.gz JDRDNYKMFXNFER-HKUYNNGSSA-N 1 0 396.428 3.833 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473126 878351199 /nfs/dbraw/zinc/35/11/99/878351199.db2.gz JIYDIWWJIYTEFC-MSOLQXFVSA-N 1 0 379.426 3.714 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(CC#N)c1 ZINC000455909669 878351888 /nfs/dbraw/zinc/35/18/88/878351888.db2.gz BPPFZFZVFPUOBL-OAQYLSRUSA-N 1 0 377.492 3.666 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000180028639 878355503 /nfs/dbraw/zinc/35/55/03/878355503.db2.gz ZZFCDHMIBYBPDK-LLVKDONJSA-N 1 0 394.338 3.834 20 30 GHEDRO C=C(Br)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475354 878357815 /nfs/dbraw/zinc/35/78/15/878357815.db2.gz ZTOVLTBPGQBWKN-QWHCGFSZSA-N 1 0 383.252 3.550 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000122162793 878410865 /nfs/dbraw/zinc/41/08/65/878410865.db2.gz NFWWUTWKRPRPBZ-KRWDZBQOSA-N 1 0 381.524 3.581 20 30 GHEDRO CCC(CC)n1nc(C)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000180059886 878411311 /nfs/dbraw/zinc/41/13/11/878411311.db2.gz LFCXNJMXWOZLFF-UHFFFAOYSA-N 1 0 381.524 3.628 20 30 GHEDRO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000537852159 878430435 /nfs/dbraw/zinc/43/04/35/878430435.db2.gz VXBFJRFRPONOTO-NTKDMRAZSA-N 1 0 375.516 3.827 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c(F)c1 ZINC000852599833 878453761 /nfs/dbraw/zinc/45/37/61/878453761.db2.gz BIYMWDNSOAPBMA-INIZCTEOSA-N 1 0 397.416 3.710 20 30 GHEDRO COc1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1C#N ZINC000746781088 878520055 /nfs/dbraw/zinc/52/00/55/878520055.db2.gz LOKBKXLOBJAINJ-OAQYLSRUSA-N 1 0 392.503 3.512 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001275119425 912357715 /nfs/dbraw/zinc/35/77/15/912357715.db2.gz RPSGQOQHIUUEDZ-GOSISDBHSA-N 1 0 378.479 3.993 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000852729535 878556372 /nfs/dbraw/zinc/55/63/72/878556372.db2.gz NNAHKVRKVFUSHB-NHCUHLMSSA-N 1 0 385.895 3.888 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1F ZINC000852824576 878622372 /nfs/dbraw/zinc/62/23/72/878622372.db2.gz YOGZAIHYHSZJSX-UHFFFAOYSA-N 1 0 382.435 3.877 20 30 GHEDRO COc1ccc([C@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000852845198 878631940 /nfs/dbraw/zinc/63/19/40/878631940.db2.gz SNUONFULZYTELK-QFIPXVFZSA-N 1 0 382.891 3.557 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1COc1ccccc1Cl ZINC000852846579 878634152 /nfs/dbraw/zinc/63/41/52/878634152.db2.gz WGFXKKUGFITQLR-UHFFFAOYSA-N 1 0 382.891 3.538 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460932214 878810165 /nfs/dbraw/zinc/81/01/65/878810165.db2.gz VYEGDRKKFLMNSU-LJQANCHMSA-N 1 0 390.535 3.950 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000530965605 878817410 /nfs/dbraw/zinc/81/74/10/878817410.db2.gz TYTWQTPLEKKVHQ-FGZHOGPDSA-N 1 0 380.536 3.875 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180395022 878857396 /nfs/dbraw/zinc/85/73/96/878857396.db2.gz FTOZBLYJPWHDKW-QGZVFWFLSA-N 1 0 380.448 3.809 20 30 GHEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000452034921 878858767 /nfs/dbraw/zinc/85/87/67/878858767.db2.gz MIEXYBXQWKLBPH-JFIYKMOQSA-N 1 0 375.538 3.814 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C)cc1 ZINC000177847619 878885816 /nfs/dbraw/zinc/88/58/16/878885816.db2.gz QQRPKHDVMKYONQ-IBGZPJMESA-N 1 0 394.581 3.524 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCCC)cc2OC(F)F)CC1 ZINC000177994655 878938538 /nfs/dbraw/zinc/93/85/38/878938538.db2.gz BKBIKAUDYZKILX-UHFFFAOYSA-N 1 0 397.466 3.526 20 30 GHEDRO CC(C)[C@@H](CC[N@H+](C)Cc1cnc2ccc(C#N)cn12)NC(=O)OC(C)(C)C ZINC000180470427 878942408 /nfs/dbraw/zinc/94/24/08/878942408.db2.gz ALJJQQIQRIHXGY-GOSISDBHSA-N 1 0 385.512 3.577 20 30 GHEDRO S=C1N=NC(c2ccccc2)N1N=CC1CC[NH+](Cc2ccccc2)CC1 ZINC000853267722 878942880 /nfs/dbraw/zinc/94/28/80/878942880.db2.gz ZJWQOTCUQMAWRL-UHFFFAOYSA-N 1 0 377.517 3.980 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246160210 879077644 /nfs/dbraw/zinc/07/76/44/879077644.db2.gz AFMYUQPWGWRHCV-YOEHRIQHSA-N 1 0 382.426 3.827 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2CCOCC2)[n+]2ccccc2)c(C)c(C)c1C ZINC000068866486 879104865 /nfs/dbraw/zinc/10/48/65/879104865.db2.gz PZKGFWVSEMIBBV-UHFFFAOYSA-O 1 0 397.564 3.915 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000538266093 879112907 /nfs/dbraw/zinc/11/29/07/879112907.db2.gz NXORDROWCQDNSH-QGZVFWFLSA-N 1 0 381.476 3.619 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc(C#N)c1 ZINC000789698905 879180781 /nfs/dbraw/zinc/18/07/81/879180781.db2.gz UGHDSNFXRVYLRG-CMJOXMDJSA-N 1 0 388.471 3.634 20 30 GHEDRO C#Cc1cccc(NC(=S)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000761506298 879209125 /nfs/dbraw/zinc/20/91/25/879209125.db2.gz XGCQJXGIWUNOHD-FQEVSTJZSA-N 1 0 381.570 3.572 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000180716949 879240337 /nfs/dbraw/zinc/24/03/37/879240337.db2.gz IASWRUGUBGMBLT-GOSISDBHSA-N 1 0 377.916 3.893 20 30 GHEDRO CC(C)(CNC(=O)c1cc2ccccc2n1CC#N)[N@@H+]1CCc2ccccc2C1 ZINC000609162570 879347808 /nfs/dbraw/zinc/34/78/08/879347808.db2.gz NQMNGTBWOALTJW-UHFFFAOYSA-N 1 0 386.499 3.732 20 30 GHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000531335637 879647210 /nfs/dbraw/zinc/64/72/10/879647210.db2.gz SINAJGNBEHNDQG-UHFFFAOYSA-N 1 0 390.527 3.706 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2F)[NH+]2CCCCC2)cc1 ZINC000854235129 879650469 /nfs/dbraw/zinc/65/04/69/879650469.db2.gz POWOMNXAHNLECV-NRFANRHFSA-N 1 0 381.451 3.663 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1OCCCC#N ZINC000181098124 879714707 /nfs/dbraw/zinc/71/47/07/879714707.db2.gz QKWXCBJGMMBLQY-IBGZPJMESA-N 1 0 388.508 3.933 20 30 GHEDRO COc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccc1C#N ZINC000854393802 879777432 /nfs/dbraw/zinc/77/74/32/879777432.db2.gz PXLHBPXEGYPQBF-INIZCTEOSA-N 1 0 383.517 3.531 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)o2)cc1 ZINC000461448399 879886986 /nfs/dbraw/zinc/88/69/86/879886986.db2.gz YCJBWPJJAWMHMD-LJQANCHMSA-N 1 0 393.487 3.678 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494144321 879945665 /nfs/dbraw/zinc/94/56/65/879945665.db2.gz GBXHEKYVXAFSDP-KRWDZBQOSA-N 1 0 390.487 3.944 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccco1 ZINC000286005673 912534891 /nfs/dbraw/zinc/53/48/91/912534891.db2.gz IYACMKXLDFJXPN-IBGZPJMESA-N 1 0 376.522 3.905 20 30 GHEDRO C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N(C)Cc1ccccc1Br ZINC000162625604 880385911 /nfs/dbraw/zinc/38/59/11/880385911.db2.gz PRYOCDWYGVCVJY-LBPRGKRZSA-N 1 0 393.329 3.865 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc3c2OCCCO3)ccc1OC ZINC000113348192 880521787 /nfs/dbraw/zinc/52/17/87/880521787.db2.gz GPLFELZOBRJYAS-SFHVURJKSA-N 1 0 382.460 3.827 20 30 GHEDRO C=C(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(F)c(F)c1 ZINC000185829683 880704453 /nfs/dbraw/zinc/70/44/53/880704453.db2.gz UCWCDVWLUDXEKM-IBGZPJMESA-N 1 0 377.435 3.948 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000776829636 880728187 /nfs/dbraw/zinc/72/81/87/880728187.db2.gz WUXKUMUUOCLJDK-CZUORRHYSA-N 1 0 381.423 3.506 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000286193616 912619419 /nfs/dbraw/zinc/61/94/19/912619419.db2.gz QYMJLEQHQATCMG-UHFFFAOYSA-N 1 0 375.501 3.835 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000453440785 880901327 /nfs/dbraw/zinc/90/13/27/880901327.db2.gz NDSMNGDZKKVVFS-VQTJNVASSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453443071 880906980 /nfs/dbraw/zinc/90/69/80/880906980.db2.gz QEZGUNHJEMIGGJ-SFTDATJTSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000453425965 880928545 /nfs/dbraw/zinc/92/85/45/880928545.db2.gz PIJNLAHOUVAAQL-LJQANCHMSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](C3CCC(C)CC3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453465176 880969430 /nfs/dbraw/zinc/96/94/30/880969430.db2.gz MBKLXHQTJARKHW-AJTFCVKESA-N 1 0 387.572 3.581 20 30 GHEDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000792185716 880973173 /nfs/dbraw/zinc/97/31/73/880973173.db2.gz PIQJMDPETNJHJT-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000856168980 881003726 /nfs/dbraw/zinc/00/37/26/881003726.db2.gz AQHUNZQSTKVBOL-HSZRJFAPSA-N 1 0 387.527 3.714 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000113980267 881020970 /nfs/dbraw/zinc/02/09/70/881020970.db2.gz QVNGVANGEHVQBD-CTNGQTDRSA-N 1 0 398.482 3.609 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccco1 ZINC000286227268 912639237 /nfs/dbraw/zinc/63/92/37/912639237.db2.gz SQNVZALINQIWPD-IBGZPJMESA-N 1 0 376.522 3.905 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000453628488 881222039 /nfs/dbraw/zinc/22/20/39/881222039.db2.gz WYLXNDCQOGBMJR-QFIPXVFZSA-N 1 0 380.492 3.512 20 30 GHEDRO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000119981699 881240437 /nfs/dbraw/zinc/24/04/37/881240437.db2.gz RLBGHPDTNLWBRB-UHFFFAOYSA-N 1 0 391.581 3.668 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)CC1 ZINC000919965913 881297982 /nfs/dbraw/zinc/29/79/82/881297982.db2.gz MSTXEUZEERYLMX-UHFFFAOYSA-N 1 0 397.422 3.521 20 30 GHEDRO CC[N@H+](CCNC(=O)c1cc(F)c(C(F)(F)F)cc1F)CCC(F)(F)F ZINC000804621856 883128278 /nfs/dbraw/zinc/12/82/78/883128278.db2.gz JBXMZMRPCUFVTE-UHFFFAOYSA-N 1 0 392.290 3.988 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476792623 883132357 /nfs/dbraw/zinc/13/23/57/883132357.db2.gz PBTWGKYKEHNBOX-IGBVOLGGSA-N 1 0 398.551 3.668 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609385573 883132769 /nfs/dbraw/zinc/13/27/69/883132769.db2.gz BJTGLZKMOGIUOV-HZPDHXFCSA-N 1 0 388.581 3.678 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2)c1 ZINC000181853996 883188391 /nfs/dbraw/zinc/18/83/91/883188391.db2.gz ZRBUHETZXGXZKP-AEFFLSMTSA-N 1 0 381.476 3.536 20 30 GHEDRO CCOc1cccc(/C=C\C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000858566623 883203171 /nfs/dbraw/zinc/20/31/71/883203171.db2.gz BGSKQRJZHIYGKP-SEYXRHQNSA-N 1 0 377.488 3.561 20 30 GHEDRO COc1ccc(CNc2c[nH+]ccc2-n2cc(C)cn2)cc1OCCCC#N ZINC000182671034 883230531 /nfs/dbraw/zinc/23/05/31/883230531.db2.gz XZDZNLCVPHNVID-UHFFFAOYSA-N 1 0 377.448 3.879 20 30 GHEDRO C[C@](CO)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000609483843 883276333 /nfs/dbraw/zinc/27/63/33/883276333.db2.gz LANUULZINFIEER-JOCHJYFZSA-N 1 0 397.544 3.715 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609516566 883286504 /nfs/dbraw/zinc/28/65/04/883286504.db2.gz UINKBFPCIHCVQW-DLBZAZTESA-N 1 0 378.476 3.596 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609516568 883286678 /nfs/dbraw/zinc/28/66/78/883286678.db2.gz UINKBFPCIHCVQW-IRXDYDNUSA-N 1 0 378.476 3.596 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000609519318 883291108 /nfs/dbraw/zinc/29/11/08/883291108.db2.gz UEYWCQAFLBSPJW-UHFFFAOYSA-N 1 0 376.460 3.516 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000173388442 883368714 /nfs/dbraw/zinc/36/87/14/883368714.db2.gz ZJCZOUJMPAUDFW-FQEVSTJZSA-N 1 0 395.528 3.613 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)o1 ZINC000609588858 883386564 /nfs/dbraw/zinc/38/65/64/883386564.db2.gz TUIKHDANYQOWQD-INIZCTEOSA-N 1 0 390.281 3.879 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c(F)c1 ZINC000609639699 883468830 /nfs/dbraw/zinc/46/88/30/883468830.db2.gz LAZQJEPWJUKTPR-OAQYLSRUSA-N 1 0 380.467 3.724 20 30 GHEDRO Cc1cc(C[NH2+]C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)ccc1C#N ZINC001183631468 912714862 /nfs/dbraw/zinc/71/48/62/912714862.db2.gz SFXDYEKZYVAGQT-HXUWFJFHSA-N 1 0 399.535 3.763 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000609658962 883497868 /nfs/dbraw/zinc/49/78/68/883497868.db2.gz BPQXEDBAZLUILW-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO CC1CCC([NH+]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)CC1 ZINC000609681966 883540553 /nfs/dbraw/zinc/54/05/53/883540553.db2.gz GKQIYUALBXEHFS-UHFFFAOYSA-N 1 0 392.450 3.888 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465431135 883690921 /nfs/dbraw/zinc/69/09/21/883690921.db2.gz SGVLERVDIMNPFK-RJGXRXQPSA-N 1 0 390.531 3.641 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000533928346 883732082 /nfs/dbraw/zinc/73/20/82/883732082.db2.gz PPGRHTGPHVOZPO-MAUKXSAKSA-N 1 0 375.900 3.524 20 30 GHEDRO N#Cc1cccc(NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000609891633 883799599 /nfs/dbraw/zinc/79/95/99/883799599.db2.gz QSGOPEGLXMQFNL-UHFFFAOYSA-N 1 0 389.425 3.596 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1 ZINC000859587070 883916148 /nfs/dbraw/zinc/91/61/48/883916148.db2.gz XEBRYVBPPNBBHK-YKSBVNFPSA-N 1 0 391.515 3.614 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000116923908 884035798 /nfs/dbraw/zinc/03/57/98/884035798.db2.gz FRLFCGWFEASLHC-RDJZCZTQSA-N 1 0 387.430 3.947 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](O)C(F)(F)F ZINC000498358376 884142087 /nfs/dbraw/zinc/14/20/87/884142087.db2.gz CCGMZIJPUKTSDF-RBUKOAKNSA-N 1 0 378.394 3.929 20 30 GHEDRO N#CCOc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)cc1 ZINC000859959111 884212006 /nfs/dbraw/zinc/21/20/06/884212006.db2.gz UGQYVAFJODKOGW-XZOQPEGZSA-N 1 0 390.483 3.790 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000465462407 884327883 /nfs/dbraw/zinc/32/78/83/884327883.db2.gz BKQHAKXTPGCRKR-VQTJNVASSA-N 1 0 393.535 3.683 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670196823 884329431 /nfs/dbraw/zinc/32/94/31/884329431.db2.gz HZIIFQIOLKRLTK-LJQANCHMSA-N 1 0 376.508 3.560 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccc(F)cc2)CCC1 ZINC001183791625 912820485 /nfs/dbraw/zinc/82/04/85/912820485.db2.gz AYWLAWPZUCEPKN-RTWAWAEBSA-N 1 0 377.463 3.604 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001275247913 912821668 /nfs/dbraw/zinc/82/16/68/912821668.db2.gz JORWEXCRNJFGQY-UHFFFAOYSA-N 1 0 375.900 3.554 20 30 GHEDRO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C2CC2)cn1 ZINC000860205806 884417013 /nfs/dbraw/zinc/41/70/13/884417013.db2.gz WMOSXXSEULHBGC-QHCPKHFHSA-N 1 0 392.503 3.695 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@]4(CCOC4)C3)sc2C1 ZINC000556312118 884424709 /nfs/dbraw/zinc/42/47/09/884424709.db2.gz HRYRTQPKSYOPAQ-BTYIYWSLSA-N 1 0 387.549 3.576 20 30 GHEDRO CCC(=O)N1CCc2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000897768431 884450659 /nfs/dbraw/zinc/45/06/59/884450659.db2.gz ZEXBWIHRCLSHRG-UHFFFAOYSA-N 1 0 388.515 3.934 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000495061750 884478957 /nfs/dbraw/zinc/47/89/57/884478957.db2.gz DFVSIAXJXSZYCK-PGRDOPGGSA-N 1 0 387.545 3.571 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)CCCC2)cc1 ZINC000860301700 884543984 /nfs/dbraw/zinc/54/39/84/884543984.db2.gz KIIMUAQUCBNRDJ-UGKGYDQZSA-N 1 0 377.532 3.845 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)cc1 ZINC000898168882 884624497 /nfs/dbraw/zinc/62/44/97/884624497.db2.gz STGFOFUKSLJTEJ-AUUYWEPGSA-N 1 0 389.293 3.737 20 30 GHEDRO [NH2+]=C(NCc1cccc2c1OCCCO2)Nc1ccc(OC(F)(F)F)cc1 ZINC000263302464 884630772 /nfs/dbraw/zinc/63/07/72/884630772.db2.gz ZVXUQTIKOCUWOW-UHFFFAOYSA-N 1 0 381.354 3.673 20 30 GHEDRO CCOc1ccc(CCC2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000105400705 884753155 /nfs/dbraw/zinc/75/31/55/884753155.db2.gz VLXRGFWQQPXSAD-HSZRJFAPSA-N 1 0 385.552 3.784 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286702441 912860397 /nfs/dbraw/zinc/86/03/97/912860397.db2.gz BIIQYQPHUYFADQ-ZHALLVOQSA-N 1 0 386.565 3.578 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)c(F)c1 ZINC000237713074 884804945 /nfs/dbraw/zinc/80/49/45/884804945.db2.gz ADVDLCHOHXTOPS-PXPSOEEZSA-N 1 0 380.423 3.877 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H]1C ZINC000498555496 884823933 /nfs/dbraw/zinc/82/39/33/884823933.db2.gz RCCZXQVCADUOMT-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000806808341 885008563 /nfs/dbraw/zinc/00/85/63/885008563.db2.gz AMGFHCKDGRGQHM-PZJWPPBQSA-N 1 0 398.482 3.609 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103475097 885023575 /nfs/dbraw/zinc/02/35/75/885023575.db2.gz QFAYMQIZNQCMDY-QGZVFWFLSA-N 1 0 387.487 3.840 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)CC1 ZINC000106323411 885031995 /nfs/dbraw/zinc/03/19/95/885031995.db2.gz OLHRFUVXAVWMSP-IBGZPJMESA-N 1 0 387.524 3.715 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000806855949 885062126 /nfs/dbraw/zinc/06/21/26/885062126.db2.gz ATIFBKVZWZMNPG-PZJWPPBQSA-N 1 0 381.545 3.976 20 30 GHEDRO C[C@H](Sc1ccc(Br)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000130792606 885134903 /nfs/dbraw/zinc/13/49/03/885134903.db2.gz FRBFMLQSFJDELW-AWEZNQCLSA-N 1 0 398.370 3.624 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000103862769 885184046 /nfs/dbraw/zinc/18/40/46/885184046.db2.gz XAENEGYKDMHWJC-SFHVURJKSA-N 1 0 398.551 3.622 20 30 GHEDRO CN1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152401905 885231880 /nfs/dbraw/zinc/23/18/80/885231880.db2.gz BWYLROONVYDVAX-FPOVZHCZSA-N 1 0 385.870 3.845 20 30 GHEDRO Cc1n[nH]cc1C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000556522753 885235434 /nfs/dbraw/zinc/23/54/34/885235434.db2.gz MHWJNDYHMCZGHJ-UHFFFAOYSA-N 1 0 397.548 3.738 20 30 GHEDRO CC[N@H+](CCNC(=O)C1(c2ccc(C#N)cc2)CCCC1)CCC(F)(F)F ZINC000861318273 885389658 /nfs/dbraw/zinc/38/96/58/885389658.db2.gz GUSQBXNUQJCEKS-UHFFFAOYSA-N 1 0 381.442 3.761 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000609295939 885424334 /nfs/dbraw/zinc/42/43/34/885424334.db2.gz FSIRXJADXFDRSM-HSZRJFAPSA-N 1 0 388.515 3.772 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)ccc1OC ZINC000237332454 885432515 /nfs/dbraw/zinc/43/25/15/885432515.db2.gz FQFHJKPECADNPU-GOSISDBHSA-N 1 0 384.451 3.684 20 30 GHEDRO COc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc(OC)c1C(C)C ZINC000495362734 885472228 /nfs/dbraw/zinc/47/22/28/885472228.db2.gz CWSDGIARWVUYSR-UHFFFAOYSA-N 1 0 376.501 3.526 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000476409566 885655829 /nfs/dbraw/zinc/65/58/29/885655829.db2.gz BKYDLTVKQPQLFM-LJQANCHMSA-N 1 0 395.613 3.767 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC ZINC000495395583 885666986 /nfs/dbraw/zinc/66/69/86/885666986.db2.gz GDAXCNFCCGLUOR-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000495415849 885715313 /nfs/dbraw/zinc/71/53/13/885715313.db2.gz USTLHIKLDFDPIJ-NRFANRHFSA-N 1 0 392.503 3.771 20 30 GHEDRO N#Cc1c(Cl)nsc1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000774706780 912974106 /nfs/dbraw/zinc/97/41/06/912974106.db2.gz HOGBNOVFYLLIRH-UHFFFAOYSA-N 1 0 376.913 3.797 20 30 GHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000495437289 885801837 /nfs/dbraw/zinc/80/18/37/885801837.db2.gz BBEVSZCIVLFDPS-AHRSYUTCSA-N 1 0 379.508 3.733 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1=S ZINC000249702687 912979599 /nfs/dbraw/zinc/97/95/99/912979599.db2.gz JFXGYUNBHTWAAA-GOSISDBHSA-N 1 0 395.532 3.806 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000807944203 885883806 /nfs/dbraw/zinc/88/38/06/885883806.db2.gz UJOXDGGUNSSMDU-DHZHZOJOSA-N 1 0 381.501 3.701 20 30 GHEDRO CON=Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000808058321 885960228 /nfs/dbraw/zinc/96/02/28/885960228.db2.gz MJQLFVLRYVDKJV-SFHVURJKSA-N 1 0 385.533 3.631 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532554354 886040920 /nfs/dbraw/zinc/04/09/20/886040920.db2.gz ITLKPMKFPZUXPR-XMMPIXPASA-N 1 0 388.559 3.827 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001131238910 886241182 /nfs/dbraw/zinc/24/11/82/886241182.db2.gz KUSLJPPPAKRUSG-QHCPKHFHSA-N 1 0 387.527 3.959 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc(OC)c1O ZINC000762484896 886277815 /nfs/dbraw/zinc/27/78/15/886277815.db2.gz NYDALBYILSAZCM-CRAIPNDOSA-N 1 0 390.524 3.864 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C[C@@H]1[NH+](C)C ZINC000495633648 886290652 /nfs/dbraw/zinc/29/06/52/886290652.db2.gz AREMYLPYWGNMQR-FPOVZHCZSA-N 1 0 395.528 3.777 20 30 GHEDRO COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001170552858 886358881 /nfs/dbraw/zinc/35/88/81/886358881.db2.gz DRJBEQCCZDOHKN-RHSMWYFYSA-N 1 0 391.309 3.648 20 30 GHEDRO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)c1cc(Cl)ccc1C#N ZINC000808497139 886408910 /nfs/dbraw/zinc/40/89/10/886408910.db2.gz JDVUWPXBXNMENJ-WDZFZDKYSA-N 1 0 383.879 3.828 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000862534871 886437144 /nfs/dbraw/zinc/43/71/44/886437144.db2.gz NNUTXIXZCSUAHW-UHFFFAOYSA-N 1 0 387.531 3.836 20 30 GHEDRO C=CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccco1 ZINC000556879077 886472429 /nfs/dbraw/zinc/47/24/29/886472429.db2.gz PFGFCZLMZQDYCV-HNNXBMFYSA-N 1 0 386.876 3.648 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H]1[NH+](C)C ZINC000495712432 886485172 /nfs/dbraw/zinc/48/51/72/886485172.db2.gz LAMNTJDUICHKTB-UYAOXDASSA-N 1 0 397.569 3.827 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccccc3)c(C)c2)CC1 ZINC000762654470 886604427 /nfs/dbraw/zinc/60/44/27/886604427.db2.gz GKWICYKWZLDSJB-UHFFFAOYSA-N 1 0 391.515 3.757 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(Br)c1 ZINC001137641324 886658628 /nfs/dbraw/zinc/65/86/28/886658628.db2.gz WYSLGAKEEWFLSI-ZWKOTPCHSA-N 1 0 380.305 3.719 20 30 GHEDRO C=CCOc1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1OC ZINC000124082271 886703147 /nfs/dbraw/zinc/70/31/47/886703147.db2.gz CAAUYJCQQZPXLU-UHFFFAOYSA-N 1 0 384.476 3.590 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670214554 887190240 /nfs/dbraw/zinc/19/02/40/887190240.db2.gz RVDBUWPIOQQVDT-FQEVSTJZSA-N 1 0 395.551 3.540 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670216457 887239441 /nfs/dbraw/zinc/23/94/41/887239441.db2.gz YZNGXHKFRSUUPT-MRXNPFEDSA-N 1 0 389.931 3.617 20 30 GHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc(OC)c1OC ZINC000495966829 887312769 /nfs/dbraw/zinc/31/27/69/887312769.db2.gz STADEYBSODXVRG-UHFFFAOYSA-N 1 0 382.504 3.636 20 30 GHEDRO Cc1nccn1-c1ccc(-c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)cn1 ZINC000809376632 887349926 /nfs/dbraw/zinc/34/99/26/887349926.db2.gz ZDVDZAIPBJADBV-UHFFFAOYSA-N 1 0 388.406 3.962 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC(C#N)CC2)cc1 ZINC000171732920 887417857 /nfs/dbraw/zinc/41/78/57/887417857.db2.gz VQPOZFRFIKNHEC-UHFFFAOYSA-N 1 0 376.504 3.860 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287149431 913144125 /nfs/dbraw/zinc/14/41/25/913144125.db2.gz IBNAQVMGLDXTAH-CYBMUJFWSA-N 1 0 379.302 3.516 20 30 GHEDRO COc1ccc(CN2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1F ZINC000119919774 887622529 /nfs/dbraw/zinc/62/25/29/887622529.db2.gz GZIIVQXIYBRGGB-UHFFFAOYSA-N 1 0 396.510 3.502 20 30 GHEDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1)C1(C#N)CCCCC1 ZINC000794672059 887719361 /nfs/dbraw/zinc/71/93/61/887719361.db2.gz ZQLRFWHBUYKRQM-PKTZIBPZSA-N 1 0 391.515 3.736 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000171741531 887737932 /nfs/dbraw/zinc/73/79/32/887737932.db2.gz MVXDKEMYFGVZEY-UHFFFAOYSA-N 1 0 384.505 3.772 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670233931 887789682 /nfs/dbraw/zinc/78/96/82/887789682.db2.gz ZNNPPDAFQFCZQA-FQEVSTJZSA-N 1 0 390.535 3.570 20 30 GHEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCCC2)cc1 ZINC000237336917 887919528 /nfs/dbraw/zinc/91/95/28/887919528.db2.gz CSCDAXJFJAZKBX-MBSDFSHPSA-N 1 0 379.504 3.913 20 30 GHEDRO C#CCn1ccc(C[N@H+](CC)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)n1 ZINC000809997656 888053406 /nfs/dbraw/zinc/05/34/06/888053406.db2.gz BZCNERHMSUQJHC-WGSAOQKQSA-N 1 0 388.556 3.669 20 30 GHEDRO CC#Cc1cncc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001170595826 888140800 /nfs/dbraw/zinc/14/08/00/888140800.db2.gz DZDNUMMJXUVDGZ-RUZDIDTESA-N 1 0 385.511 3.928 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C(F)(F)F)c1 ZINC000810131257 888198663 /nfs/dbraw/zinc/19/86/63/888198663.db2.gz ITNYQCKTCBTFGJ-UHFFFAOYSA-N 1 0 393.384 3.843 20 30 GHEDRO C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[N@H+](C)C1CC1 ZINC000105264318 888270276 /nfs/dbraw/zinc/27/02/76/888270276.db2.gz KKFCTJLCCJEHLX-KRWDZBQOSA-N 1 0 394.494 3.892 20 30 GHEDRO CC1(c2ccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)cc2)OCCO1 ZINC000865668962 888509173 /nfs/dbraw/zinc/50/91/73/888509173.db2.gz VBUZMRASHNGYFM-UHFFFAOYSA-N 1 0 391.515 3.532 20 30 GHEDRO N#CC[C@H](CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000475925846 888536997 /nfs/dbraw/zinc/53/69/97/888536997.db2.gz JKUFOASEJJPPEL-JOCHJYFZSA-N 1 0 391.515 3.865 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C1=CC[N@H+](C)CC1 ZINC000272761454 888678828 /nfs/dbraw/zinc/67/88/28/888678828.db2.gz PQEKINISGUYXIM-QGZVFWFLSA-N 1 0 375.472 3.517 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000729685579 888696582 /nfs/dbraw/zinc/69/65/82/888696582.db2.gz ALENTMRTADNETH-NRFANRHFSA-N 1 0 384.907 3.515 20 30 GHEDRO Cc1cccnc1[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C ZINC000120922862 888758624 /nfs/dbraw/zinc/75/86/24/888758624.db2.gz FSNXGRNNBZDRCB-LAUBAEHRSA-N 1 0 385.471 3.914 20 30 GHEDRO CCOc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000532760599 888897111 /nfs/dbraw/zinc/89/71/11/888897111.db2.gz OUFBVHVXAVMMSY-UHFFFAOYSA-N 1 0 383.517 3.968 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)COc2cccc(C#N)c2)C1 ZINC000916387392 888952523 /nfs/dbraw/zinc/95/25/23/888952523.db2.gz NJDFJXUURLXMEI-KDURUIRLSA-N 1 0 391.515 3.731 20 30 GHEDRO C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000866617096 888970577 /nfs/dbraw/zinc/97/05/77/888970577.db2.gz DXYDPGASWFNEJL-KDOFPFPSSA-N 1 0 378.476 3.540 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCN(C(=O)Oc3ccccc3)CC1)C2 ZINC000866617769 888970655 /nfs/dbraw/zinc/97/06/55/888970655.db2.gz PCXLSLDRAILPMQ-NHCUHLMSSA-N 1 0 375.472 3.669 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(C(C)C)ns1 ZINC000916409672 888975973 /nfs/dbraw/zinc/97/59/73/888975973.db2.gz KUYSVDCYLCVKRQ-UHFFFAOYSA-N 1 0 392.598 3.760 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000867661191 889121494 /nfs/dbraw/zinc/12/14/94/889121494.db2.gz GLGNPMZMIZBJOT-QGZVFWFLSA-N 1 0 395.931 3.765 20 30 GHEDRO NC(=[NH+]OCCCSCc1ccccc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000121763436 889135666 /nfs/dbraw/zinc/13/56/66/889135666.db2.gz QWFJRJUKDKLAQI-UHFFFAOYSA-N 1 0 399.560 3.608 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123546411 889326256 /nfs/dbraw/zinc/32/62/56/889326256.db2.gz CCDWAPJDCFGOPG-UHFFFAOYSA-N 1 0 375.582 3.957 20 30 GHEDRO COc1ccc(OC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000532918979 889327537 /nfs/dbraw/zinc/32/75/37/889327537.db2.gz LGKYHTYFBGTXJR-UHFFFAOYSA-N 1 0 385.489 3.500 20 30 GHEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000868211712 889355873 /nfs/dbraw/zinc/35/58/73/889355873.db2.gz XEMAUDKLQCQLBH-IRXDYDNUSA-N 1 0 394.441 3.581 20 30 GHEDRO O=C(NCCCCC[NH+]1CCCC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000454759957 889701580 /nfs/dbraw/zinc/70/15/80/889701580.db2.gz AAKPZDKAFZYOCA-UHFFFAOYSA-N 1 0 376.504 3.869 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@@H]1C(F)(F)F ZINC001168517164 889775826 /nfs/dbraw/zinc/77/58/26/889775826.db2.gz DNXIKFLOXWBCJD-KBUPBQIOSA-N 1 0 375.435 3.989 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(F)(F)F)c1 ZINC001132904007 889810705 /nfs/dbraw/zinc/81/07/05/889810705.db2.gz MCYDIILGWINSTD-RTBURBONSA-N 1 0 387.405 3.800 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000869397140 889920020 /nfs/dbraw/zinc/92/00/20/889920020.db2.gz FLXJTKQBGUMQAU-INIZCTEOSA-N 1 0 389.455 3.839 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811809579 889992336 /nfs/dbraw/zinc/99/23/36/889992336.db2.gz ISVYFPFWXVNIDO-OAQYLSRUSA-N 1 0 381.907 3.978 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000105599542 890371662 /nfs/dbraw/zinc/37/16/62/890371662.db2.gz NQTIOQBRLIUAOV-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1cc(C#N)cnc1-n1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)c2ccnc1-2 ZINC001170667588 890461831 /nfs/dbraw/zinc/46/18/31/890461831.db2.gz WBDDTHSXUFVGCH-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO S=C(NN=Cc1cc2ccccc2o1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000812395884 890607232 /nfs/dbraw/zinc/60/72/32/890607232.db2.gz WWHXRURNJOLEPX-UHFFFAOYSA-N 1 0 392.528 3.895 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NCc2cnc3ccc(C#N)cn23)ccc1OC ZINC000123493524 890654904 /nfs/dbraw/zinc/65/49/04/890654904.db2.gz MONVZQOGYAOXQR-UHFFFAOYSA-N 1 0 393.491 3.547 20 30 GHEDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000871357882 890790993 /nfs/dbraw/zinc/79/09/93/890790993.db2.gz CHIMVUMHKYMKNO-UHFFFAOYSA-N 1 0 378.476 3.738 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000455401439 890891961 /nfs/dbraw/zinc/89/19/61/890891961.db2.gz MPFVQJGCRKCEAW-QGZVFWFLSA-N 1 0 386.540 3.653 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(CC#N)ccn1 ZINC000871730079 890994482 /nfs/dbraw/zinc/99/44/82/890994482.db2.gz OQCYPABIKBFCCL-IBGZPJMESA-N 1 0 377.492 3.570 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cc3ccc(SC)cc3nc2Cl)CC1 ZINC000747822677 891041222 /nfs/dbraw/zinc/04/12/22/891041222.db2.gz CDBJTHJTWTVYDE-UHFFFAOYSA-N 1 0 387.936 3.572 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849467 891041471 /nfs/dbraw/zinc/04/14/71/891041471.db2.gz OCCFMUGYQYSJQE-HYBUGGRVSA-N 1 0 393.531 3.994 20 30 GHEDRO C#C[C@H](NC(=O)NCc1ccc(OCC[NH+](CC)CC)cc1)c1ccc(F)cc1 ZINC000812874790 891052161 /nfs/dbraw/zinc/05/21/61/891052161.db2.gz KDVFPCOKCZNOEE-QFIPXVFZSA-N 1 0 397.494 3.720 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000455528915 891090438 /nfs/dbraw/zinc/09/04/38/891090438.db2.gz AZHHTFPDQJDOBY-FXAWDEMLSA-N 1 0 394.494 3.797 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3nc4c(s3)CCC4)CC2)CC1 ZINC000917097724 891119295 /nfs/dbraw/zinc/11/92/95/891119295.db2.gz HGTJQLAVZWQNPZ-UHFFFAOYSA-N 1 0 388.581 3.561 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c(-c2ccncc2)n1 ZINC000872258854 891218499 /nfs/dbraw/zinc/21/84/99/891218499.db2.gz DBMRDQOVECPXLP-OAQYLSRUSA-N 1 0 379.508 3.782 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000747838952 891307521 /nfs/dbraw/zinc/30/75/21/891307521.db2.gz SXWVEFLJWWMFBL-MRXNPFEDSA-N 1 0 382.508 3.537 20 30 GHEDRO CN1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246842928 891313599 /nfs/dbraw/zinc/31/35/99/891313599.db2.gz QLGYHQUJDPHJHZ-PKOBYXMFSA-N 1 0 387.842 3.557 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000287836250 913556672 /nfs/dbraw/zinc/55/66/72/913556672.db2.gz VXCQUQXDZMUBNI-HNAYVOBHSA-N 1 0 395.532 3.696 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873311438 891575537 /nfs/dbraw/zinc/57/55/37/891575537.db2.gz XIQVGAJRZWXOOQ-CRAIPNDOSA-N 1 0 380.517 3.774 20 30 GHEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873328499 891586057 /nfs/dbraw/zinc/58/60/57/891586057.db2.gz XLJQFKQIVSGRHA-SCZZXKLOSA-N 1 0 387.299 3.754 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cn2)C[C@@H](C)O1 ZINC000237446290 891814148 /nfs/dbraw/zinc/81/41/48/891814148.db2.gz ZPGATTGZPUNLRO-RTBURBONSA-N 1 0 394.519 3.668 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccccc2SCC#N)c1 ZINC000813765216 891938642 /nfs/dbraw/zinc/93/86/42/891938642.db2.gz VEWYVGBIJWEAKL-UHFFFAOYSA-N 1 0 396.516 3.835 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813792852 891984320 /nfs/dbraw/zinc/98/43/20/891984320.db2.gz XOAGHZNVBLXZIB-KZULUSFZSA-N 1 0 393.256 3.702 20 30 GHEDRO CC[N@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497620523 892028203 /nfs/dbraw/zinc/02/82/03/892028203.db2.gz ZLZSEBHXHVHKEM-QGZVFWFLSA-N 1 0 378.476 3.906 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000813859306 892029474 /nfs/dbraw/zinc/02/94/74/892029474.db2.gz RHCQCHCDGNTYQH-MRXNPFEDSA-N 1 0 376.298 3.542 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000128515410 892053329 /nfs/dbraw/zinc/05/33/29/892053329.db2.gz FHHRWANAYXZSMJ-HXUWFJFHSA-N 1 0 394.515 3.854 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000497695627 892180976 /nfs/dbraw/zinc/18/09/76/892180976.db2.gz HLJLLOFFJZJQRI-UHFFFAOYSA-N 1 0 387.549 3.993 20 30 GHEDRO C=CCc1cc(OC)ccc1OC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000875051081 892429426 /nfs/dbraw/zinc/42/94/26/892429426.db2.gz YTYUCDDIBABVPB-LEWJYISDSA-N 1 0 397.519 3.577 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC001168276084 892599126 /nfs/dbraw/zinc/59/91/26/892599126.db2.gz QLJRXMNXLJKDCR-OAQYLSRUSA-N 1 0 375.516 3.909 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)N[C@@H](C)CC)cc1 ZINC000154530350 892601052 /nfs/dbraw/zinc/60/10/52/892601052.db2.gz SZBZINTZFPVPMO-HNNXBMFYSA-O 1 0 399.536 3.635 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001185204450 913727164 /nfs/dbraw/zinc/72/71/64/913727164.db2.gz KQHCEPSIMVVJMS-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455708381 893067916 /nfs/dbraw/zinc/06/79/16/893067916.db2.gz UCHQTIOFMJWDSS-UHFFFAOYSA-N 1 0 392.931 3.761 20 30 GHEDRO C=CCNc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000129138172 893086589 /nfs/dbraw/zinc/08/65/89/893086589.db2.gz SYNNHNZUTYNTHA-SJLPKXTDSA-N 1 0 384.549 3.866 20 30 GHEDRO C#CCCCCCC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000876546140 893222602 /nfs/dbraw/zinc/22/26/02/893222602.db2.gz ZMHFFAPGCBJUHO-UHFFFAOYSA-N 1 0 395.469 3.845 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455762137 893225787 /nfs/dbraw/zinc/22/57/87/893225787.db2.gz AREFXCYXXQOXSB-UHFFFAOYSA-N 1 0 385.899 3.635 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000876648074 893271629 /nfs/dbraw/zinc/27/16/29/893271629.db2.gz MNPJSVFXLJSCLK-KGLIPLIRSA-N 1 0 379.888 3.913 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001134820341 893356545 /nfs/dbraw/zinc/35/65/45/893356545.db2.gz JAOXSMSROIUTJV-PZDVXSDASA-N 1 0 385.511 3.988 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000876859703 893363890 /nfs/dbraw/zinc/36/38/90/893363890.db2.gz XOKOIOJHQKSOJO-QGZVFWFLSA-N 1 0 388.531 3.867 20 30 GHEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 ZINC000563136432 893398925 /nfs/dbraw/zinc/39/89/25/893398925.db2.gz SOYCZDDVJCOBBD-UHFFFAOYSA-N 1 0 397.544 3.573 20 30 GHEDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000778223117 893401453 /nfs/dbraw/zinc/40/14/53/893401453.db2.gz INJCNVOOTHYLNH-CQSZACIVSA-N 1 0 379.888 3.589 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000876994323 893424895 /nfs/dbraw/zinc/42/48/95/893424895.db2.gz FBDMXGSTUGTJRQ-QGZVFWFLSA-N 1 0 379.545 3.903 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000877012378 893433569 /nfs/dbraw/zinc/43/35/69/893433569.db2.gz RPBBYOOJJINNMU-ZIAGYGMSSA-N 1 0 387.705 3.591 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000877018338 893436188 /nfs/dbraw/zinc/43/61/88/893436188.db2.gz MQULRXZJXDFJFA-RAIGVLPGSA-N 1 0 386.311 3.702 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000877053731 893459311 /nfs/dbraw/zinc/45/93/11/893459311.db2.gz AGCFYBRJHGYBMB-GOSISDBHSA-N 1 0 392.503 3.547 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)cc1 ZINC001137116957 893503298 /nfs/dbraw/zinc/50/32/98/893503298.db2.gz WOZRVFSKXFPISP-UHFFFAOYSA-N 1 0 381.520 3.594 20 30 GHEDRO C=CCC(F)(F)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000815138097 893511043 /nfs/dbraw/zinc/51/10/43/893511043.db2.gz BMPFSAATBMXFJZ-UHFFFAOYSA-N 1 0 375.257 3.551 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+](CC=C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675038 893512796 /nfs/dbraw/zinc/51/27/96/893512796.db2.gz JWWOMRSUFWHVEO-SFHVURJKSA-N 1 0 375.476 3.976 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3cc(C#N)cnc3Cl)CCN2C2CC2)c1 ZINC000877167102 893517479 /nfs/dbraw/zinc/51/74/79/893517479.db2.gz NCQODFJVIGHCDE-UXHICEINSA-N 1 0 382.895 3.683 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3cc(C#N)cnc3Cl)CCN2C2CC2)c1 ZINC000877167104 893517929 /nfs/dbraw/zinc/51/79/29/893517929.db2.gz NCQODFJVIGHCDE-WOJBJXKFSA-N 1 0 382.895 3.683 20 30 GHEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000498222691 893634243 /nfs/dbraw/zinc/63/42/43/893634243.db2.gz WVGQEZRZRSEMRY-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C(C)(C)C1 ZINC000877503691 893649873 /nfs/dbraw/zinc/64/98/73/893649873.db2.gz UEONVZFEPHJWMJ-OAHLLOKOSA-N 1 0 378.904 3.732 20 30 GHEDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000536724358 893662603 /nfs/dbraw/zinc/66/26/03/893662603.db2.gz HRWTZLVZMIPLAP-ROUUACIJSA-N 1 0 379.504 3.670 20 30 GHEDRO N#Cc1cccc(OCC[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000536742173 893673256 /nfs/dbraw/zinc/67/32/56/893673256.db2.gz VDDHRBGPSGFQLL-KRWDZBQOSA-N 1 0 377.366 3.504 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2cc(C[NH2+]Cc3cccc(C#N)n3)ccc21 ZINC000877560006 893689354 /nfs/dbraw/zinc/68/93/54/893689354.db2.gz CTJCVPKZLJJHFF-UHFFFAOYSA-N 1 0 378.476 3.931 20 30 GHEDRO CCCOc1c(OC)cc(CC[NH2+]Cc2cc(C#N)cnc2Cl)cc1OC ZINC000877565557 893693058 /nfs/dbraw/zinc/69/30/58/893693058.db2.gz JFGYZODHHPEELU-UHFFFAOYSA-N 1 0 389.883 3.745 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC001135009961 893806301 /nfs/dbraw/zinc/80/63/01/893806301.db2.gz MIPQQIFHAYWMBK-HSALFYBXSA-N 1 0 377.463 3.728 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)[NH+](C)C ZINC000498271666 893817256 /nfs/dbraw/zinc/81/72/56/893817256.db2.gz XRGNEWNCGBNLEL-NRFANRHFSA-N 1 0 379.504 3.843 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cnn(C)c1 ZINC000459585846 893819987 /nfs/dbraw/zinc/81/99/87/893819987.db2.gz CLQAXWAUDYEVIX-UHFFFAOYSA-N 1 0 399.564 3.719 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C(F)(F)F ZINC000877816047 893823141 /nfs/dbraw/zinc/82/31/41/893823141.db2.gz BNXAJXMFAJHPSE-HOTGVXAUSA-N 1 0 383.414 3.693 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000498290764 893938539 /nfs/dbraw/zinc/93/85/39/893938539.db2.gz LMUGPOSGMUPKCK-OALUTQOASA-N 1 0 394.515 3.791 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000498303255 893966777 /nfs/dbraw/zinc/96/67/77/893966777.db2.gz IUMSZLOANZPLHK-IBGZPJMESA-N 1 0 393.535 3.685 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000878057222 893986244 /nfs/dbraw/zinc/98/62/44/893986244.db2.gz ZVLJLANIGNLXJF-XMMPIXPASA-N 1 0 387.483 3.842 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cc(C)ccc2OC)cc1 ZINC000459660075 894008374 /nfs/dbraw/zinc/00/83/74/894008374.db2.gz SWBYURKGEYWGFQ-GOSISDBHSA-N 1 0 395.503 4.000 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000459664208 894023873 /nfs/dbraw/zinc/02/38/73/894023873.db2.gz ZRAFMKJLOVSUSY-OAHLLOKOSA-N 1 0 396.329 3.962 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000774866721 913835040 /nfs/dbraw/zinc/83/50/40/913835040.db2.gz UHMQITHNFOPKPB-LIRRHRJNSA-N 1 0 399.454 3.533 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2cccc(F)c2C#N)CC1 ZINC000563730858 894121783 /nfs/dbraw/zinc/12/17/83/894121783.db2.gz JCUDTDBYQAKQRR-UHFFFAOYSA-N 1 0 397.519 3.832 20 30 GHEDRO C=CCCc1ccc(C(=O)N2CCC(CC3CC[NH+](CC)CC3)CC2)c(=O)[nH]1 ZINC001185364455 913842187 /nfs/dbraw/zinc/84/21/87/913842187.db2.gz NHCJPFCBOKXNMU-UHFFFAOYSA-N 1 0 385.552 3.880 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000537061597 894252959 /nfs/dbraw/zinc/25/29/59/894252959.db2.gz RXKGRCXJCGQCPS-GLJUWKHASA-N 1 0 385.430 3.721 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000537053239 894273049 /nfs/dbraw/zinc/27/30/49/894273049.db2.gz IHFRCEDPQBTKTJ-BSRJHKFKSA-N 1 0 394.519 3.754 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000563877100 894289165 /nfs/dbraw/zinc/28/91/65/894289165.db2.gz CJNSWGAEKUSBBO-AEFFLSMTSA-N 1 0 385.943 3.771 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537088003 894320314 /nfs/dbraw/zinc/32/03/14/894320314.db2.gz PPQZONPWKYIRCI-MSOLQXFVSA-N 1 0 394.519 3.798 20 30 GHEDRO O=C(c1ccc(F)cc1F)C(C(=S)NCc1ccccc1)[n+]1ccccc1 ZINC000022730734 894334557 /nfs/dbraw/zinc/33/45/57/894334557.db2.gz HYCNPKDYQXXGJY-UHFFFAOYSA-O 1 0 383.443 3.981 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000537123353 894347402 /nfs/dbraw/zinc/34/74/02/894347402.db2.gz OXICIDNMUCIPJV-OAQYLSRUSA-N 1 0 386.492 3.992 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000537158782 894439370 /nfs/dbraw/zinc/43/93/70/894439370.db2.gz PBTOBYHPDIGMHD-HSZRJFAPSA-N 1 0 393.531 3.948 20 30 GHEDRO COc1ccc2[nH]cc(C3CC[NH+](C[C@H](O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000127269106 894491502 /nfs/dbraw/zinc/49/15/02/894491502.db2.gz MBSZLYGMOCAFEI-QHCPKHFHSA-N 1 0 375.472 3.961 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1)c1ccccc1 ZINC000878677169 894505338 /nfs/dbraw/zinc/50/53/38/894505338.db2.gz JGRFVWAOPYRMSB-QHCPKHFHSA-N 1 0 391.519 3.779 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC000897547757 894527373 /nfs/dbraw/zinc/52/73/73/894527373.db2.gz GLZKUGJGOKHXEB-PWIZWCRZSA-N 1 0 399.535 3.866 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000564091751 894581507 /nfs/dbraw/zinc/58/15/07/894581507.db2.gz CMTUMWIJLYCBLT-OALUTQOASA-N 1 0 378.369 3.972 20 30 GHEDRO CCCCCCC[C@@H](C)CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000127506480 894826756 /nfs/dbraw/zinc/82/67/56/894826756.db2.gz UYGOWEWNUYUUPE-LJQANCHMSA-N 1 0 380.621 3.841 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)ccn1 ZINC000564440767 894984360 /nfs/dbraw/zinc/98/43/60/894984360.db2.gz AIPMZRHRYMJCNX-QGZVFWFLSA-N 1 0 391.475 3.695 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000564593833 895106407 /nfs/dbraw/zinc/10/64/07/895106407.db2.gz SWVVWVBSKNSADN-ZCNNSNEGSA-N 1 0 399.579 3.642 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)c2ccccc2OCC#N)[NH+](CC)CC)cc1 ZINC000817158067 895356654 /nfs/dbraw/zinc/35/66/54/895356654.db2.gz PRJMUOZBKMHWDI-NRFANRHFSA-N 1 0 379.504 3.964 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000880090959 895507116 /nfs/dbraw/zinc/50/71/16/895507116.db2.gz QHXAQNWEEVSEMH-CYBMUJFWSA-N 1 0 385.489 3.585 20 30 GHEDRO C[C@H]1[C@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000565500763 895678559 /nfs/dbraw/zinc/67/85/59/895678559.db2.gz FQQYLNZYNXKGSG-WMZHIEFXSA-N 1 0 391.515 3.887 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000880467803 895721522 /nfs/dbraw/zinc/72/15/22/895721522.db2.gz JYLSAXRTJGNSFY-YOEHRIQHSA-N 1 0 375.538 3.622 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880715648 895827326 /nfs/dbraw/zinc/82/73/26/895827326.db2.gz XCPWRFQXLNMBIT-KRWDZBQOSA-N 1 0 399.445 3.750 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)C)[C@H](C)C1 ZINC000565709690 895827787 /nfs/dbraw/zinc/82/77/87/895827787.db2.gz JRUQWTJDZACLIU-XLIONFOSSA-N 1 0 380.540 3.639 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000565757771 895855784 /nfs/dbraw/zinc/85/57/84/895855784.db2.gz PWEJNAYSOHNMJK-SQGPQFPESA-N 1 0 378.524 3.564 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)CC2 ZINC000565862680 895941350 /nfs/dbraw/zinc/94/13/50/895941350.db2.gz BJXAJAKCYSPHSI-OXJNMPFZSA-N 1 0 390.405 3.885 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000565904608 895969946 /nfs/dbraw/zinc/96/99/46/895969946.db2.gz XJELVCDINSLXGR-KRWDZBQOSA-N 1 0 398.511 3.598 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880925395 896001106 /nfs/dbraw/zinc/00/11/06/896001106.db2.gz SXMZBOYJCCMIOC-KRWDZBQOSA-N 1 0 394.441 3.822 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880930413 896008381 /nfs/dbraw/zinc/00/83/81/896008381.db2.gz WAKNMGQDNVZAKT-SFHVURJKSA-N 1 0 396.457 3.925 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000566120046 896121156 /nfs/dbraw/zinc/12/11/56/896121156.db2.gz FGUDYYDKSNJEHH-FGCOXFRFSA-N 1 0 376.500 3.980 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)Nc1cccc(CC#N)n1)c1cccc(C(F)(F)F)c1 ZINC000881142477 896193302 /nfs/dbraw/zinc/19/33/02/896193302.db2.gz GXFGADUILGOYOX-INIZCTEOSA-N 1 0 391.397 3.591 20 30 GHEDRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000566344100 896248474 /nfs/dbraw/zinc/24/84/74/896248474.db2.gz KIWFNYAUKRWLDE-OAQYLSRUSA-N 1 0 386.455 3.677 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819022544 896354938 /nfs/dbraw/zinc/35/49/38/896354938.db2.gz QTBNFFUIXWBZIH-QGZVFWFLSA-N 1 0 387.749 3.550 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000819146258 896403630 /nfs/dbraw/zinc/40/36/30/896403630.db2.gz NUAXSNWUVDYXIA-FQEVSTJZSA-N 1 0 381.476 3.771 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000819184001 896452260 /nfs/dbraw/zinc/45/22/60/896452260.db2.gz VLROZMXOALLSCB-WOJBJXKFSA-N 1 0 387.524 3.629 20 30 GHEDRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819209382 896500743 /nfs/dbraw/zinc/50/07/43/896500743.db2.gz WXYNKKPYSFAVTL-ZNOIYHFQSA-N 1 0 389.293 3.720 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c(C[NH+](C)C)c1 ZINC000819285165 896528774 /nfs/dbraw/zinc/52/87/74/896528774.db2.gz XZRCICHSQHSPOD-GOSISDBHSA-N 1 0 388.512 3.582 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)CNc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000819395390 896621265 /nfs/dbraw/zinc/62/12/65/896621265.db2.gz NYKKQDLRGRVERT-JOCHJYFZSA-N 1 0 379.504 3.985 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)C2=O)cc1 ZINC000567283651 897033721 /nfs/dbraw/zinc/03/37/21/897033721.db2.gz NTCPTWPSAVTOGV-XUZZJYLKSA-N 1 0 387.483 3.523 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc(-c4ccsc4)s3)C2=O)cc1 ZINC000567441655 897159878 /nfs/dbraw/zinc/15/98/78/897159878.db2.gz OKYHPPWBVMTNIQ-GOSISDBHSA-N 1 0 394.525 3.634 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000567683293 897335846 /nfs/dbraw/zinc/33/58/46/897335846.db2.gz LGZFJLVNJHKMPA-HXUWFJFHSA-N 1 0 384.907 3.857 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NCc2ccon2)cc1 ZINC000131195261 897354603 /nfs/dbraw/zinc/35/46/03/897354603.db2.gz DJWPMZQKMUCCEY-UHFFFAOYSA-O 1 0 380.493 3.616 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)[C@H]1CCCO1 ZINC000883223095 897382465 /nfs/dbraw/zinc/38/24/65/897382465.db2.gz HYGBDZHGBHADFZ-VQTJNVASSA-N 1 0 397.519 3.659 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@H]1CCOC1 ZINC000883234700 897393770 /nfs/dbraw/zinc/39/37/70/897393770.db2.gz KPLPKNXUKPFGHK-RCCFBDPRSA-N 1 0 384.586 3.547 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1F ZINC000820744557 897528973 /nfs/dbraw/zinc/52/89/73/897528973.db2.gz IKCQLWPVEQFUAQ-KXBFYZLASA-N 1 0 377.891 3.527 20 30 GHEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000883399197 897561421 /nfs/dbraw/zinc/56/14/21/897561421.db2.gz GTPQYVMQRZCBOB-GXTWGEPZSA-N 1 0 390.293 3.686 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000883589113 897738414 /nfs/dbraw/zinc/73/84/14/897738414.db2.gz YFUJHFALVFSOTH-ADEWGFFLSA-N 1 0 387.299 3.860 20 30 GHEDRO Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821635510 897995477 /nfs/dbraw/zinc/99/54/77/897995477.db2.gz FJZAZPPEXNQNFC-FQEVSTJZSA-N 1 0 399.498 3.903 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2ncnc3sc(C)c(C)c32)CC1 ZINC000106039348 898248624 /nfs/dbraw/zinc/24/86/24/898248624.db2.gz QXPCQZZMTMAJRI-UHFFFAOYSA-N 1 0 390.578 3.557 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(Br)c2COC)CC1 ZINC000106324650 898265876 /nfs/dbraw/zinc/26/58/76/898265876.db2.gz PRZVELZSOHUCLX-UHFFFAOYSA-N 1 0 396.329 3.758 20 30 GHEDRO Cc1nn2c(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)c(C(C)C)nc2s1 ZINC000569039295 898291938 /nfs/dbraw/zinc/29/19/38/898291938.db2.gz SPUHNZSMWRWAOI-UHFFFAOYSA-N 1 0 396.564 3.658 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3cccc(O)c3)sc2C1 ZINC000569407353 898630190 /nfs/dbraw/zinc/63/01/90/898630190.db2.gz JBLPKEPDTNKMTM-AWEZNQCLSA-N 1 0 383.517 3.911 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000822873085 898703335 /nfs/dbraw/zinc/70/33/35/898703335.db2.gz JQUJVMATQATDKP-UHFFFAOYSA-N 1 0 380.513 3.890 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cc(C#N)ccc2N(C)C)c1 ZINC001202646754 898818094 /nfs/dbraw/zinc/81/80/94/898818094.db2.gz MGLUIJHBGXNIOO-UHFFFAOYSA-N 1 0 379.508 3.517 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1)C2 ZINC000884110447 898913191 /nfs/dbraw/zinc/91/31/91/898913191.db2.gz KRWKBSJCVKBPNP-FHLLLWTNSA-N 1 0 393.918 3.879 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000569783409 898950457 /nfs/dbraw/zinc/95/04/57/898950457.db2.gz RQRDAGRLAMKUGI-CTNGQTDRSA-N 1 0 390.535 3.851 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000331558827 898979946 /nfs/dbraw/zinc/97/99/46/898979946.db2.gz IVIQHXSVRWSCPV-IAGOWNOFSA-N 1 0 399.583 3.835 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)sc2C1 ZINC000331943425 899283230 /nfs/dbraw/zinc/28/32/30/899283230.db2.gz MIUKPAXSLGNLQB-MCIONIFRSA-N 1 0 388.537 3.709 20 30 GHEDRO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823919751 899318692 /nfs/dbraw/zinc/31/86/92/899318692.db2.gz PDPFMGRVESODIF-UHFFFAOYSA-N 1 0 391.504 3.517 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000570675780 899499237 /nfs/dbraw/zinc/49/92/37/899499237.db2.gz ATVZGCVQDKAHGO-GUYCJALGSA-N 1 0 392.956 3.629 20 30 GHEDRO C#C[C@@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC000824370925 899568685 /nfs/dbraw/zinc/56/86/85/899568685.db2.gz TXNFVYOVGSGTAS-ORAYPTAESA-N 1 0 379.884 3.950 20 30 GHEDRO C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(Br)cc1Cl ZINC000156255815 899604631 /nfs/dbraw/zinc/60/46/31/899604631.db2.gz XHVFTTLYENVAQG-UHFFFAOYSA-N 1 0 385.693 3.573 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1C#N ZINC000570823118 899617663 /nfs/dbraw/zinc/61/76/63/899617663.db2.gz IEJYSSFYLJWZRZ-AZUAARDMSA-N 1 0 397.567 3.589 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1OC(F)(F)F ZINC000332409651 899645741 /nfs/dbraw/zinc/64/57/41/899645741.db2.gz QNJWGMJNFOUAKX-OAHLLOKOSA-N 1 0 382.386 3.549 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332506930 899720159 /nfs/dbraw/zinc/72/01/59/899720159.db2.gz SYYFROLYNWDGMA-KURKYZTESA-N 1 0 386.565 3.578 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000571055726 899727961 /nfs/dbraw/zinc/72/79/61/899727961.db2.gz WKLLKNVIXNDKOK-YQVWRLOYSA-N 1 0 376.460 3.860 20 30 GHEDRO C[C@H]1[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000571199978 899779584 /nfs/dbraw/zinc/77/95/84/899779584.db2.gz NKELBPFZSYUNDV-QFBILLFUSA-N 1 0 379.508 3.899 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000571432290 899864782 /nfs/dbraw/zinc/86/47/82/899864782.db2.gz AUHAFZARYDNZQN-KRWDZBQOSA-N 1 0 398.457 3.732 20 30 GHEDRO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCC1CCOCC1 ZINC000120682527 899868522 /nfs/dbraw/zinc/86/85/22/899868522.db2.gz KDALHVVGOQDQMN-UHFFFAOYSA-N 1 0 375.538 3.576 20 30 GHEDRO N#Cc1cnc(N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c(F)c1 ZINC000884592254 900185699 /nfs/dbraw/zinc/18/56/99/900185699.db2.gz JELOHSCOKQXAPK-LJQANCHMSA-N 1 0 380.467 3.718 20 30 GHEDRO N#Cc1ccccc1NC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000825488628 900192595 /nfs/dbraw/zinc/19/25/95/900192595.db2.gz LFMWUYXXSJLIJI-UHFFFAOYSA-N 1 0 392.503 3.854 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000135309480 900219576 /nfs/dbraw/zinc/21/95/76/900219576.db2.gz KCCUZVIGAHNVFI-KRWDZBQOSA-N 1 0 386.427 3.670 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000844308140 900695669 /nfs/dbraw/zinc/69/56/69/900695669.db2.gz AMZMSRGYOCRDHM-DOTOQJQBSA-N 1 0 388.468 3.592 20 30 GHEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000844355541 900760459 /nfs/dbraw/zinc/76/04/59/900760459.db2.gz PGHBODROHHYRSR-KRWDZBQOSA-N 1 0 387.524 3.967 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000844356871 900762063 /nfs/dbraw/zinc/76/20/63/900762063.db2.gz UHPOSTNXFXUMIU-NJDAHSKKSA-N 1 0 399.535 3.843 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)c2)c1 ZINC000574671288 900959461 /nfs/dbraw/zinc/95/94/61/900959461.db2.gz VVNRFOUBMCSNRS-BJKOFHAPSA-N 1 0 392.499 3.547 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccccc2OCC#N)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000844715053 901193704 /nfs/dbraw/zinc/19/37/04/901193704.db2.gz FMHLAFRTTZAPDW-CEXWTWQISA-N 1 0 377.488 3.712 20 30 GHEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1C#N ZINC000886688619 901228196 /nfs/dbraw/zinc/22/81/96/901228196.db2.gz WHYLUFCBVGRTOH-ZDUSSCGKSA-N 1 0 375.519 3.502 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)CC1 ZINC000074130201 901234272 /nfs/dbraw/zinc/23/42/72/901234272.db2.gz XHXXUUBREGHRDL-OAHLLOKOSA-N 1 0 375.517 3.518 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3)C(C)C ZINC001144204485 901283058 /nfs/dbraw/zinc/28/30/58/901283058.db2.gz QYXBFCDOZYTSMW-HSZRJFAPSA-N 1 0 394.563 3.584 20 30 GHEDRO C#CCC1([NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CCOCC1 ZINC000887126037 901447823 /nfs/dbraw/zinc/44/78/23/901447823.db2.gz UACZYTWZTQKJNG-BJKOFHAPSA-N 1 0 393.527 3.624 20 30 GHEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092710159 901507096 /nfs/dbraw/zinc/50/70/96/901507096.db2.gz ZOOMRODQYDMXFH-HXUWFJFHSA-N 1 0 393.535 3.592 20 30 GHEDRO Cc1ccc(N2CCC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000778940989 902017721 /nfs/dbraw/zinc/01/77/21/902017721.db2.gz QKSIEOWKRUQMPY-HSZRJFAPSA-N 1 0 388.515 3.574 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1I ZINC001171191544 902247914 /nfs/dbraw/zinc/24/79/14/902247914.db2.gz AVXCVKLAFJBFGP-CYBMUJFWSA-N 1 0 376.241 3.884 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)CC[NH2+][C@H](C)Cc3cccc(C#N)c3)ccc12 ZINC001171194987 902282481 /nfs/dbraw/zinc/28/24/81/902282481.db2.gz ODNOYTFGYOHQNJ-MRXNPFEDSA-N 1 0 389.455 3.523 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000126120900 902288852 /nfs/dbraw/zinc/28/88/52/902288852.db2.gz PANMYNHHXVVIET-UGKGYDQZSA-N 1 0 391.515 3.643 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1Br ZINC000126902806 902388115 /nfs/dbraw/zinc/38/81/15/902388115.db2.gz PQIALZCCQRUCLA-YVEFUNNKSA-N 1 0 375.266 3.714 20 30 GHEDRO Cn1cc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000576972501 902395548 /nfs/dbraw/zinc/39/55/48/902395548.db2.gz NVFYILMWAMBASF-JOCHJYFZSA-N 1 0 377.536 3.845 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC001144572095 902403645 /nfs/dbraw/zinc/40/36/45/902403645.db2.gz PNRZJPHBWCVFPJ-XMMPIXPASA-N 1 0 376.475 3.822 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000127039331 902410652 /nfs/dbraw/zinc/41/06/52/902410652.db2.gz RJNVXEWSHJVIOU-IBGZPJMESA-N 1 0 375.472 3.908 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000576991802 902416820 /nfs/dbraw/zinc/41/68/20/902416820.db2.gz ORZJLVDVKSBAPQ-IYBDPMFKSA-N 1 0 395.469 3.898 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000577106667 902504606 /nfs/dbraw/zinc/50/46/06/902504606.db2.gz QLUKTQDKSQTJSN-YLJYHZDGSA-N 1 0 392.551 3.789 20 30 GHEDRO CCC1(CO)CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000127741356 902544680 /nfs/dbraw/zinc/54/46/80/902544680.db2.gz FQMPYQYHAMZQCD-INIZCTEOSA-N 1 0 375.538 3.504 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008104 902589226 /nfs/dbraw/zinc/58/92/26/902589226.db2.gz UJNMZMLECMAGLC-JOCHJYFZSA-N 1 0 396.441 3.804 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cscc3Br)CC2)C1=O ZINC001275540715 914652302 /nfs/dbraw/zinc/65/23/02/914652302.db2.gz MQDGWJOZMNQQPS-QGZVFWFLSA-N 1 0 383.355 3.901 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001171211695 902693652 /nfs/dbraw/zinc/69/36/52/902693652.db2.gz GJWKYBDVQKMMKB-CKUXNOBLSA-N 1 0 391.515 3.834 20 30 GHEDRO [NH3+]C1(Cc2cccc(Cl)c2)CCN(C(=O)/C=C/C(=O)c2ccccc2)CC1 ZINC001144714719 902695217 /nfs/dbraw/zinc/69/52/17/902695217.db2.gz LGENOMIAHZBDKY-MDZDMXLPSA-N 1 0 382.891 3.642 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001171213308 902709455 /nfs/dbraw/zinc/70/94/55/902709455.db2.gz YLSHXCHTKLXRIZ-NTKDMRAZSA-N 1 0 388.515 3.541 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC001171215620 902748633 /nfs/dbraw/zinc/74/86/33/902748633.db2.gz BYDQPASRJSKYEQ-AUSIDOKSSA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001171218386 902776514 /nfs/dbraw/zinc/77/65/14/902776514.db2.gz UWVWFDBZGFIIMJ-CYFREDJKSA-N 1 0 388.515 3.541 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cscc3Br)CC2)C1=O ZINC001275541308 914657366 /nfs/dbraw/zinc/65/73/66/914657366.db2.gz PLCTWUSOTVBJBX-UHFFFAOYSA-N 1 0 383.355 3.901 20 30 GHEDRO C[C@@H](C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)CO)c1ccccc1 ZINC000577479369 902808672 /nfs/dbraw/zinc/80/86/72/902808672.db2.gz OOJCRCQAJAVNAJ-IRXDYDNUSA-N 1 0 376.460 3.595 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2COCc2ccccc2)CCOCC1 ZINC000600718638 902841347 /nfs/dbraw/zinc/84/13/47/902841347.db2.gz QOVSZIGMRQQTEY-HSZRJFAPSA-N 1 0 394.515 3.564 20 30 GHEDRO C[C@@H](CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000600727897 902851662 /nfs/dbraw/zinc/85/16/62/902851662.db2.gz LIKDLVHUOVQGMM-MAUKXSAKSA-N 1 0 384.442 3.860 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000130352014 902944815 /nfs/dbraw/zinc/94/48/15/902944815.db2.gz SIKSLNCXXXWQBR-ZDUSSCGKSA-N 1 0 375.444 3.540 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000159352022 902967195 /nfs/dbraw/zinc/96/71/95/902967195.db2.gz UNCAYBYOLZEYNF-UHFFFAOYSA-N 1 0 399.498 3.901 20 30 GHEDRO C[NH+](C)CCCCCCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000264274850 902986494 /nfs/dbraw/zinc/98/64/94/902986494.db2.gz ILAVBHOOJAQJKW-UHFFFAOYSA-N 1 0 386.540 3.623 20 30 GHEDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000264360268 903043796 /nfs/dbraw/zinc/04/37/96/903043796.db2.gz IGSJTDNLIFIMGL-MRXNPFEDSA-N 1 0 391.512 3.771 20 30 GHEDRO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171232999 903049242 /nfs/dbraw/zinc/04/92/42/903049242.db2.gz YNSDJGYJRYDIAP-GBXCKJPGSA-N 1 0 377.532 3.712 20 30 GHEDRO CN(C(=O)Nc1ccc(F)cc1C#N)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000577766300 903166596 /nfs/dbraw/zinc/16/65/96/903166596.db2.gz ZJRSDFBVYCALFX-UHFFFAOYSA-N 1 0 382.439 3.840 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000264559209 903199591 /nfs/dbraw/zinc/19/95/91/903199591.db2.gz NWGGIXGFKLQLGU-FQEVSTJZSA-N 1 0 392.503 3.931 20 30 GHEDRO CSc1ccc([C@@H](CNc2ccc(C(F)(F)F)c(C#N)n2)[NH+](C)C)cc1 ZINC000577870034 903291798 /nfs/dbraw/zinc/29/17/98/903291798.db2.gz MUGNYZDRWJPPHX-MRXNPFEDSA-N 1 0 380.439 3.831 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCc2cccc(C(F)(F)F)c2)cc1 ZINC000577918660 903343524 /nfs/dbraw/zinc/34/35/24/903343524.db2.gz QHJPOMSOEWIJEO-UHFFFAOYSA-N 1 0 396.434 3.573 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000846966695 903357637 /nfs/dbraw/zinc/35/76/37/903357637.db2.gz ALISWSLQIGLHAE-IBGZPJMESA-N 1 0 384.524 3.811 20 30 GHEDRO Cc1cnn(CCCCC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000264759139 903361712 /nfs/dbraw/zinc/36/17/12/903361712.db2.gz YOYJYPXEZFIDPE-UHFFFAOYSA-N 1 0 379.508 3.584 20 30 GHEDRO CC(C)[C@H](c1ccccc1)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264833630 903411151 /nfs/dbraw/zinc/41/11/51/903411151.db2.gz RRDBOUQWEIDRSR-GHTZIAJQSA-N 1 0 388.471 3.841 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccsc3C#N)cc[nH+]2)CC1 ZINC001212835149 903430869 /nfs/dbraw/zinc/43/08/69/903430869.db2.gz RHEGAGAIBFAKDC-UHFFFAOYSA-N 1 0 385.493 3.815 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CCc2ccc(Br)cc2)C1=O ZINC001275548812 914717392 /nfs/dbraw/zinc/71/73/92/914717392.db2.gz LCMUDXKYGSLBEO-IBGZPJMESA-N 1 0 377.326 3.635 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC#N)cc1 ZINC000772959044 903445980 /nfs/dbraw/zinc/44/59/80/903445980.db2.gz JUENCGRUOWKAEB-YDHSSHFGSA-N 1 0 379.504 3.529 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000134127771 903470017 /nfs/dbraw/zinc/47/00/17/903470017.db2.gz AROMYDHNGRQTLG-FQEVSTJZSA-O 1 0 397.564 3.997 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000578053656 903479158 /nfs/dbraw/zinc/47/91/58/903479158.db2.gz UFRPSZZWGDBESY-QWFCFKBJSA-N 1 0 399.416 3.824 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]c3cccc(C#N)c23)cc1Cl ZINC001146277639 903484724 /nfs/dbraw/zinc/48/47/24/903484724.db2.gz FEDCXCBQHRZXKI-UHFFFAOYSA-N 1 0 382.851 3.886 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000578084750 903504713 /nfs/dbraw/zinc/50/47/13/903504713.db2.gz XFXFWBWALRAWKY-AWEZNQCLSA-N 1 0 390.325 3.579 20 30 GHEDRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000578085059 903506049 /nfs/dbraw/zinc/50/60/49/903506049.db2.gz GBZMBQHZZFKCKO-HTAPYJJXSA-N 1 0 377.488 3.971 20 30 GHEDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000578085062 903506246 /nfs/dbraw/zinc/50/62/46/903506246.db2.gz GBZMBQHZZFKCKO-VGSWGCGISA-N 1 0 377.488 3.971 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC000887704732 903538901 /nfs/dbraw/zinc/53/89/01/903538901.db2.gz RRRSDXMIBOUXQA-HSZRJFAPSA-N 1 0 388.515 3.571 20 30 GHEDRO CCOC(=O)c1ccc(OC)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171282393 903579833 /nfs/dbraw/zinc/57/98/33/903579833.db2.gz KDTHJTZMMVHAOA-UHFFFAOYSA-N 1 0 393.487 3.842 20 30 GHEDRO COC(=O)c1noc2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC001171282627 903582904 /nfs/dbraw/zinc/58/29/04/903582904.db2.gz VQOLBHNKQGDWLK-UHFFFAOYSA-N 1 0 390.443 3.585 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC001147104144 903697852 /nfs/dbraw/zinc/69/78/52/903697852.db2.gz JJMQRXWOUCMHOO-HXUWFJFHSA-N 1 0 377.488 3.740 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000283019188 903735298 /nfs/dbraw/zinc/73/52/98/903735298.db2.gz NWXBEWLWDZMCFR-ZDUSSCGKSA-N 1 0 384.402 3.652 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC[C@@H]2CCOC2)c1 ZINC000136501059 903787670 /nfs/dbraw/zinc/78/76/70/903787670.db2.gz HRCODGYILNDTHF-HNNXBMFYSA-O 1 0 389.928 3.501 20 30 GHEDRO COc1ccc(CNc2ccc(OCC[NH+](C)C)cc2)cc1OCCCC#N ZINC000265382111 903853444 /nfs/dbraw/zinc/85/34/44/903853444.db2.gz CULREGLKEDMFRU-UHFFFAOYSA-N 1 0 383.492 3.930 20 30 GHEDRO N#CC1CCC(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000578561843 903963778 /nfs/dbraw/zinc/96/37/78/903963778.db2.gz FYKSEWQTSWRMBG-TVPLGVNVSA-N 1 0 375.463 3.590 20 30 GHEDRO CC(C)[N@H+](CCc1nccs1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000159739688 904013419 /nfs/dbraw/zinc/01/34/19/904013419.db2.gz SVAKLFXPUDQRLD-MRXNPFEDSA-N 1 0 391.500 3.633 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000578702197 904063668 /nfs/dbraw/zinc/06/36/68/904063668.db2.gz QMKJHLXINFAELR-MRXNPFEDSA-N 1 0 388.471 3.778 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001148458841 904076907 /nfs/dbraw/zinc/07/69/07/904076907.db2.gz GBYGWVJRBNGIMY-GGAORHGYSA-N 1 0 376.500 3.988 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1OCCCC#N ZINC000151422081 904129872 /nfs/dbraw/zinc/12/98/72/904129872.db2.gz WEDAIGMNQWKBHN-PXNSSMCTSA-N 1 0 376.522 3.522 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC(F)(F)c3ccccc3)CC2)cc1 ZINC000578826463 904153890 /nfs/dbraw/zinc/15/38/90/904153890.db2.gz ZGRLOVRVNZDQNF-UHFFFAOYSA-N 1 0 398.457 3.568 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000578860668 904188889 /nfs/dbraw/zinc/18/88/89/904188889.db2.gz AVPAKWRIIZDLEK-XPNTWCBSSA-N 1 0 385.479 3.804 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000152094667 904232911 /nfs/dbraw/zinc/23/29/11/904232911.db2.gz AUQJYYCFSVGSDB-SFHVURJKSA-N 1 0 394.494 3.591 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3nc4c(cc3C#N)COCC4)cc2)C1 ZINC000579075069 904331272 /nfs/dbraw/zinc/33/12/72/904331272.db2.gz XZWZYWRKRJTGQR-ROUUACIJSA-N 1 0 390.531 3.538 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000579089369 904341296 /nfs/dbraw/zinc/34/12/96/904341296.db2.gz RFJWYMFBOAEPNH-RXVVDRJESA-N 1 0 395.551 3.699 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1nc(N2CCC(C[NH3+])CC2)ncc1C ZINC001171370788 904370819 /nfs/dbraw/zinc/37/08/19/904370819.db2.gz ZNIXKTIOQNMFIB-QGZVFWFLSA-N 1 0 381.524 3.698 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171371572 904374473 /nfs/dbraw/zinc/37/44/73/904374473.db2.gz PBGDBLQZTDPSQE-YUXAGFNASA-N 1 0 377.475 3.896 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000579411557 904576103 /nfs/dbraw/zinc/57/61/03/904576103.db2.gz RISVLQYMOWRBOO-ROUUACIJSA-N 1 0 376.508 3.558 20 30 GHEDRO CCCN(C(=O)c1cnn(CCC#N)c1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889490791 904602213 /nfs/dbraw/zinc/60/22/13/904602213.db2.gz HFZQRVQPCCHMJU-UHFFFAOYSA-N 1 0 393.535 3.622 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000826662070 904813162 /nfs/dbraw/zinc/81/31/62/904813162.db2.gz GDDZWDJPMDLJBJ-UHFFFAOYSA-N 1 0 387.268 3.698 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)C1=O ZINC001171593160 904819689 /nfs/dbraw/zinc/81/96/89/904819689.db2.gz KCQYTVHUMKCIEX-FGTMMUONSA-N 1 0 393.572 3.567 20 30 GHEDRO C=CCCC[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000889934270 904848569 /nfs/dbraw/zinc/84/85/69/904848569.db2.gz OZNZADYKAXDMTB-PMVMPFDFSA-N 1 0 398.595 3.751 20 30 GHEDRO COC(=O)[C@]1(NCc2cc(Cl)cc(C#N)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001171653672 904898322 /nfs/dbraw/zinc/89/83/22/904898322.db2.gz MYKCYLXPNQTEGK-QFIPXVFZSA-N 1 0 397.906 3.509 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1OC ZINC000779161297 904953966 /nfs/dbraw/zinc/95/39/66/904953966.db2.gz LZOPKNCSTPTMLC-WMZOPIPTSA-N 1 0 390.524 3.995 20 30 GHEDRO CSc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1C#N ZINC000890451060 905060098 /nfs/dbraw/zinc/06/00/98/905060098.db2.gz SDFZDSFXXPCYIM-UHFFFAOYSA-N 1 0 388.562 3.615 20 30 GHEDRO CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172303106 905456963 /nfs/dbraw/zinc/45/69/63/905456963.db2.gz ARLYUJUPRZXSHI-INIZCTEOSA-N 1 0 396.560 3.529 20 30 GHEDRO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)Cc2cn(CC3CC3)nc21 ZINC001172303979 905457575 /nfs/dbraw/zinc/45/75/75/905457575.db2.gz JJBLBXSSDXSPRA-HTAPYJJXSA-N 1 0 378.520 3.732 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001172304476 905458940 /nfs/dbraw/zinc/45/89/40/905458940.db2.gz NHQBVXDJBJUENW-DKLXNKCPSA-N 1 0 375.516 3.996 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001172307150 905463240 /nfs/dbraw/zinc/46/32/40/905463240.db2.gz DYORTRGOMZVSKZ-RKNIQEAPSA-N 1 0 391.515 3.580 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)cc1 ZINC000175158947 905464868 /nfs/dbraw/zinc/46/48/68/905464868.db2.gz MTODNFAHWNQVMD-QFIPXVFZSA-N 1 0 376.504 3.612 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001172312773 905469473 /nfs/dbraw/zinc/46/94/73/905469473.db2.gz JGWIVLTXDVSKLT-QGZVFWFLSA-N 1 0 387.487 3.647 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001172290607 905480441 /nfs/dbraw/zinc/48/04/41/905480441.db2.gz QWHDPJDIULKVQD-XLIONFOSSA-N 1 0 399.535 3.637 20 30 GHEDRO COc1ccc(CCN2CCC([NH2+][C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172300377 905483813 /nfs/dbraw/zinc/48/38/13/905483813.db2.gz UVZRXHDGJMMXJO-LJQANCHMSA-N 1 0 377.532 3.795 20 30 GHEDRO CCCCCCC[C@H](CC)[NH2+]CC(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC001172350290 905519392 /nfs/dbraw/zinc/51/93/92/905519392.db2.gz MOUFDXPNOXOOFS-PXNSSMCTSA-N 1 0 394.556 3.582 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001172358954 905527014 /nfs/dbraw/zinc/52/70/14/905527014.db2.gz SNHYUALXJDNZPG-DOIPELPJSA-N 1 0 382.589 3.852 20 30 GHEDRO CCOCC[C@H](C)NC(=[NH2+])c1nn(Cc2ccc(OC)cc2)c2ccccc21 ZINC001172420954 905537221 /nfs/dbraw/zinc/53/72/21/905537221.db2.gz NMXSDDZRCFHYIE-INIZCTEOSA-N 1 0 380.492 3.614 20 30 GHEDRO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190107954 905543402 /nfs/dbraw/zinc/54/34/02/905543402.db2.gz PCGVUFKCPGPWED-WBVHZDCISA-N 1 0 378.438 3.826 20 30 GHEDRO CCC[N@@H+]([C@H](C)C(=O)Nc1c(C)csc1C(=O)OC)[C@@H](C)CCCC#N ZINC001172507294 905604292 /nfs/dbraw/zinc/60/42/92/905604292.db2.gz SBIRWBXQLXIQKB-LSDHHAIUSA-N 1 0 379.526 3.965 20 30 GHEDRO C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172563857 905627121 /nfs/dbraw/zinc/62/71/21/905627121.db2.gz PPFPCGMJJZFUGO-CQOQZXRMSA-N 1 0 381.564 3.506 20 30 GHEDRO C#CCCC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172690755 905742373 /nfs/dbraw/zinc/74/23/73/905742373.db2.gz GAAZDGDSXLTWRX-NRFANRHFSA-N 1 0 396.556 3.898 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@@H](C)CCC(=O)OC(C)C)cc(C#N)c21 ZINC001172761579 905804423 /nfs/dbraw/zinc/80/44/23/905804423.db2.gz SEXYTHFLZVOXLI-JKSUJKDBSA-N 1 0 383.492 3.814 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3ccccc3c3c2C[C@@H]([NH3+])C3)C[C@H]1C#N ZINC001172976344 906042294 /nfs/dbraw/zinc/04/22/94/906042294.db2.gz OJMMOWYMADALCY-XHSDSOJGSA-N 1 0 380.492 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H](CCO)c2cccc(Cl)c2)C[C@H]1C#N ZINC001172977116 906042309 /nfs/dbraw/zinc/04/23/09/906042309.db2.gz ZNSIVNQISAZDRU-OKZBNKHCSA-N 1 0 393.915 3.645 20 30 GHEDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990056 906053494 /nfs/dbraw/zinc/05/34/94/906053494.db2.gz LNRQWHDVRVJPNQ-UXHICEINSA-N 1 0 386.540 3.866 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C2 ZINC001172960125 906068404 /nfs/dbraw/zinc/06/84/04/906068404.db2.gz VZIGOGWQJLGRMD-XMSQKQJNSA-N 1 0 393.572 3.665 20 30 GHEDRO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992641 906103215 /nfs/dbraw/zinc/10/32/15/906103215.db2.gz CIWMAGLFAQPYRW-IRXDYDNUSA-N 1 0 387.480 3.529 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C[C@H]1C#N ZINC001172994485 906105220 /nfs/dbraw/zinc/10/52/20/906105220.db2.gz WDBOVTZKFBOMDN-JENIJYKNSA-N 1 0 389.471 3.570 20 30 GHEDRO C=CCOC1CCC([N@H+]2CCO[C@H]3[C@H](OCc4csc(C)n4)CC[C@@H]32)CC1 ZINC001173320831 906370857 /nfs/dbraw/zinc/37/08/57/906370857.db2.gz DXNNQMNWRHVUJG-JRGKDQQJSA-N 1 0 392.565 3.714 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH2+]C3CCC(CC#N)CC3)CO2)CC1 ZINC001173325014 906373626 /nfs/dbraw/zinc/37/36/26/906373626.db2.gz BQUYACIJCOWYNC-ABHNRTSZSA-N 1 0 377.529 3.607 20 30 GHEDRO C#CC1CC[NH+]([C@@H]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173392217 906419642 /nfs/dbraw/zinc/41/96/42/906419642.db2.gz OSRDQACGGXWOFJ-CEXWTWQISA-N 1 0 391.552 3.800 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]C3(c4ccc(F)cc4)CCC3)CC2)cc1 ZINC001173427591 906463153 /nfs/dbraw/zinc/46/31/53/906463153.db2.gz FIRMQSQTEBLYLC-UHFFFAOYSA-N 1 0 377.463 3.971 20 30 GHEDRO COc1ccccc1CC1([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173426524 906463354 /nfs/dbraw/zinc/46/33/54/906463354.db2.gz BITHHYWCPGVKLM-UHFFFAOYSA-N 1 0 389.499 3.536 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3c(Cl)cncc3Cl)CC2)cc1 ZINC001173427522 906463611 /nfs/dbraw/zinc/46/36/11/906463611.db2.gz YDHABPADXYUKPQ-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3nccc(Cl)c3Cl)CC2)cc1 ZINC001173428867 906464977 /nfs/dbraw/zinc/46/49/77/906464977.db2.gz XTKVVZPTGRXVDL-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO COc1c(F)cccc1[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429516 906466852 /nfs/dbraw/zinc/46/68/52/906466852.db2.gz YNLVNFFLXCNWBN-HNNXBMFYSA-N 1 0 381.451 3.661 20 30 GHEDRO CC[N@H+](Cc1cccc(OC)c1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433180 906467882 /nfs/dbraw/zinc/46/78/82/906467882.db2.gz NBDJDNLPTKIPON-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179471514 906508916 /nfs/dbraw/zinc/50/89/16/906508916.db2.gz YUBXDBBLFUJTHP-XLIONFOSSA-N 1 0 385.870 3.968 20 30 GHEDRO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173514402 906522368 /nfs/dbraw/zinc/52/23/68/906522368.db2.gz MRWBKJHQYHBFCJ-NHCUHLMSSA-N 1 0 384.520 3.654 20 30 GHEDRO C=CCn1c(SC[C@H]2CC[N@@H+](C)C2)nnc1-c1ccc(Br)cc1 ZINC000191011558 906526070 /nfs/dbraw/zinc/52/60/70/906526070.db2.gz FUBHGGKTRUYWQY-ZDUSSCGKSA-N 1 0 393.354 3.937 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001173727819 906693740 /nfs/dbraw/zinc/69/37/40/906693740.db2.gz GIMRDAMNSVCCQF-VGOFRKELSA-N 1 0 378.472 3.819 20 30 GHEDRO Cn1cc(CNC2CC[NH+](CC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180154676 906703997 /nfs/dbraw/zinc/70/39/97/906703997.db2.gz MDRIPRYDRSJFBQ-UHFFFAOYSA-N 1 0 377.536 3.703 20 30 GHEDRO N#Cc1cc(I)c(Nc2cc[nH+]cc2)cc1C(F)(F)F ZINC001173883831 906745300 /nfs/dbraw/zinc/74/53/00/906745300.db2.gz WESPWITZNQAJHS-UHFFFAOYSA-N 1 0 389.118 3.742 20 30 GHEDRO N#CC1(NC(=O)CCc2ccc3ccccc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000365960515 921267708 /nfs/dbraw/zinc/26/77/08/921267708.db2.gz CMEDJCYVKQZFIA-UHFFFAOYSA-N 1 0 398.510 3.842 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000777363828 906819288 /nfs/dbraw/zinc/81/92/88/906819288.db2.gz NHDKXMWEZJBFDC-UHFFFAOYSA-N 1 0 389.499 3.645 20 30 GHEDRO CCC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1 ZINC000180871835 906866125 /nfs/dbraw/zinc/86/61/25/906866125.db2.gz ZQGHCKACTYZQRL-BQASMSSTSA-N 1 0 382.291 3.951 20 30 GHEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180877224 906868767 /nfs/dbraw/zinc/86/87/67/906868767.db2.gz WDQYJTMDEWUJQJ-DVSFIDLUSA-N 1 0 391.899 3.552 20 30 GHEDRO COc1ccc2c(c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CCC2 ZINC000191347716 906901718 /nfs/dbraw/zinc/90/17/18/906901718.db2.gz WPIOUDHCNUOCCN-UHFFFAOYSA-N 1 0 392.503 3.651 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181302201 906969868 /nfs/dbraw/zinc/96/98/68/906969868.db2.gz SHCPYOOMZSELJD-KRWDZBQOSA-N 1 0 393.491 3.682 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000181585631 907033214 /nfs/dbraw/zinc/03/32/14/907033214.db2.gz OMKRJOOVXARDLI-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO CC(C)[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001174575878 907093125 /nfs/dbraw/zinc/09/31/25/907093125.db2.gz ZWLBZQMNLULSET-QHCPKHFHSA-N 1 0 390.531 3.729 20 30 GHEDRO CN(CCOCC[N@H+](C)Cc1cc(Cl)cc(C#N)c1)C(=O)OC(C)(C)C ZINC001174671582 907139356 /nfs/dbraw/zinc/13/93/56/907139356.db2.gz JOJKBQVOCSOYKF-UHFFFAOYSA-N 1 0 381.904 3.527 20 30 GHEDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000191714094 907172630 /nfs/dbraw/zinc/17/26/30/907172630.db2.gz TZLRTWNMBNSVMC-KOSHJBKYSA-N 1 0 388.515 3.678 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001174771112 907194957 /nfs/dbraw/zinc/19/49/57/907194957.db2.gz MEPNOYOVFBAFQJ-SFHVURJKSA-N 1 0 390.405 3.986 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000184346424 907566490 /nfs/dbraw/zinc/56/64/90/907566490.db2.gz YTFVTXKXEIPJKS-MPBGBICISA-N 1 0 386.496 3.717 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)ccc1OCc1cccc(C#N)c1 ZINC001176252847 908023008 /nfs/dbraw/zinc/02/30/08/908023008.db2.gz NHMZSMHHZHTJEI-DNQXCXABSA-N 1 0 392.499 3.883 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001176451592 908114888 /nfs/dbraw/zinc/11/48/88/908114888.db2.gz DECSZEFGRBKFEB-HXUWFJFHSA-N 1 0 377.444 3.936 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)CC1 ZINC000188613450 908231854 /nfs/dbraw/zinc/23/18/54/908231854.db2.gz JLYQXTFWGWKSFY-UHFFFAOYSA-N 1 0 378.472 3.558 20 30 GHEDRO C=CCCCC[NH+]1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC001176776979 908245853 /nfs/dbraw/zinc/24/58/53/908245853.db2.gz FPPBGZYRCLCNTJ-LJQANCHMSA-N 1 0 381.358 3.631 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3ccccc3Br)CC2)CC1 ZINC000188869745 908258454 /nfs/dbraw/zinc/25/84/54/908258454.db2.gz GMOLSZWSUHUOLO-UHFFFAOYSA-N 1 0 389.337 3.500 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634340814 908680948 /nfs/dbraw/zinc/68/09/48/908680948.db2.gz AMNQXVXUWVAAHC-KRWDZBQOSA-N 1 0 375.586 3.877 20 30 GHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193127159 908851580 /nfs/dbraw/zinc/85/15/80/908851580.db2.gz JWCMEPHQHSSYLM-NRFANRHFSA-N 1 0 391.559 3.663 20 30 GHEDRO Cc1cc(NCc2cc(C#N)ccc2Br)ccc1N1CC[NH+](C)CC1 ZINC001178025560 908877750 /nfs/dbraw/zinc/87/77/50/908877750.db2.gz OZBOUBWUAKPHRY-UHFFFAOYSA-N 1 0 399.336 3.993 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)CC1 ZINC000195376447 909003460 /nfs/dbraw/zinc/00/34/60/909003460.db2.gz GKQMRHRICIVSIZ-UHFFFAOYSA-N 1 0 393.531 3.858 20 30 GHEDRO N#Cc1sccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC001178328828 909020520 /nfs/dbraw/zinc/02/05/20/909020520.db2.gz MFXSJMMWSZBHPS-RBUKOAKNSA-N 1 0 388.496 3.869 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000195635172 909027646 /nfs/dbraw/zinc/02/76/46/909027646.db2.gz UGLDPTAVNDKCPN-HXUWFJFHSA-N 1 0 378.476 3.916 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC001178501073 909058554 /nfs/dbraw/zinc/05/85/54/909058554.db2.gz MVHFKXJOGWCCBA-OAHLLOKOSA-N 1 0 394.313 3.810 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccc(C)cc3)CCO2)cc1OC ZINC001179381977 909514455 /nfs/dbraw/zinc/51/44/55/909514455.db2.gz IVSDADHOJJFFCK-JOCHJYFZSA-N 1 0 396.531 3.559 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)CC1 ZINC000795317739 909832956 /nfs/dbraw/zinc/83/29/56/909832956.db2.gz JPRNKBQWFJWRNH-UHFFFAOYSA-N 1 0 392.478 3.510 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](C)C1 ZINC000268578582 909936895 /nfs/dbraw/zinc/93/68/95/909936895.db2.gz JWYFPLRTZGOMLC-HNAYVOBHSA-N 1 0 397.548 3.800 20 30 GHEDRO N#CCCN(Cc1ccco1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180402118 910119084 /nfs/dbraw/zinc/11/90/84/910119084.db2.gz BLNWVGYTZDYRHM-UHFFFAOYSA-N 1 0 396.491 3.858 20 30 GHEDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C ZINC000246304055 910221976 /nfs/dbraw/zinc/22/19/76/910221976.db2.gz HHBMUDRCXZDEJD-IXDOHACOSA-N 1 0 390.553 3.654 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000270199355 910478342 /nfs/dbraw/zinc/47/83/42/910478342.db2.gz JBPVXJDRJVIEKB-UXHICEINSA-N 1 0 382.508 3.640 20 30 GHEDRO CCCCCCC[C@@H](C)C(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001181122106 910556681 /nfs/dbraw/zinc/55/66/81/910556681.db2.gz RUOREECRTWLRNJ-MRXNPFEDSA-N 1 0 376.545 3.875 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)NCC2(C#N)CCC2)C1 ZINC001181346846 910740993 /nfs/dbraw/zinc/74/09/93/910740993.db2.gz QZGGQWKGWLIZNF-DLBZAZTESA-N 1 0 375.463 3.589 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000273900633 911094358 /nfs/dbraw/zinc/09/43/58/911094358.db2.gz PGMRAGROIFYZAM-HNNXBMFYSA-N 1 0 378.432 3.689 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@@H](C)C1 ZINC000247347266 911180798 /nfs/dbraw/zinc/18/07/98/911180798.db2.gz JMKWCIGKDVURAI-KSFYIVLOSA-N 1 0 378.520 3.768 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283241569 911429089 /nfs/dbraw/zinc/42/90/89/911429089.db2.gz KQSCHZRXMOPNLM-UHFFFAOYSA-N 1 0 399.539 3.505 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCc1cccc(C#N)c1 ZINC001182344321 911515588 /nfs/dbraw/zinc/51/55/88/911515588.db2.gz ZVZIJVCGEAEUSL-QFIPXVFZSA-N 1 0 375.516 3.908 20 30 GHEDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)NC(=O)OC(C)(C)C)cc1 ZINC000774303932 911620198 /nfs/dbraw/zinc/62/01/98/911620198.db2.gz SOZSIRRXBCEWPM-QRFRQXIXSA-N 1 0 386.540 3.990 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774480478 911785697 /nfs/dbraw/zinc/78/56/97/911785697.db2.gz CERHDRALIWBSAE-QZTJIDSGSA-N 1 0 394.519 3.747 20 30 GHEDRO N#CC1(NC(=O)Cc2c[nH]c3c2cccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC001182574901 911880469 /nfs/dbraw/zinc/88/04/69/911880469.db2.gz AMAWNALSMGCFRJ-UHFFFAOYSA-N 1 0 390.462 3.524 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)N3CCC([N@@H+]4CCc5ccccc5C4)CC3)c21 ZINC001182582293 911885151 /nfs/dbraw/zinc/88/51/51/911885151.db2.gz ZMBYQUZKSQBAHZ-UHFFFAOYSA-N 1 0 398.510 3.631 20 30 GHEDRO C[C@@H]1[C@@H](CC(=O)Nc2cn(C)nc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186938126 914884943 /nfs/dbraw/zinc/88/49/43/914884943.db2.gz WCEIRZKVORCKRU-XLIONFOSSA-N 1 0 399.498 3.730 20 30 GHEDRO COc1ccc([C@H](O)C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000291154507 915009497 /nfs/dbraw/zinc/00/94/97/915009497.db2.gz BRKGCQFTXBAIDO-DEOSSOPVSA-N 1 0 393.531 3.991 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000303773195 915120235 /nfs/dbraw/zinc/12/02/35/915120235.db2.gz FFTAUBUKXDEKJA-UGSOOPFHSA-N 1 0 397.445 3.500 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1C#N ZINC000802010060 921753771 /nfs/dbraw/zinc/75/37/71/921753771.db2.gz ZQTJYZOWHZTGGL-QFIPXVFZSA-N 1 0 385.508 3.790 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000303867865 915225930 /nfs/dbraw/zinc/22/59/30/915225930.db2.gz DBEFHEJUFCUQSO-CQSZACIVSA-N 1 0 382.291 3.777 20 30 GHEDRO [NH2+]=C(NCCc1ccccc1)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000303876717 915235660 /nfs/dbraw/zinc/23/56/60/915235660.db2.gz IFCHPWDVIQLVCK-UHFFFAOYSA-N 1 0 378.520 3.852 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCC(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl ZINC000303884050 915296130 /nfs/dbraw/zinc/29/61/30/915296130.db2.gz MNWTUFMBYBODOM-LBPRGKRZSA-N 1 0 385.339 3.798 20 30 GHEDRO Cc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)N2CCOCC2)c1 ZINC000303898888 915302466 /nfs/dbraw/zinc/30/24/66/915302466.db2.gz RISSMHJRAYJNCX-JOCHJYFZSA-N 1 0 396.535 3.582 20 30 GHEDRO COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])NC2CCCCC2)cn1 ZINC000303908332 915306766 /nfs/dbraw/zinc/30/67/66/915306766.db2.gz XNHQOHJPOOYAMJ-UHFFFAOYSA-N 1 0 384.480 3.628 20 30 GHEDRO C[C@]12CN(c3cc(C(F)(F)F)cc(C#N)n3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001187534779 915335075 /nfs/dbraw/zinc/33/50/75/915335075.db2.gz VWFAEJQMYTZWLJ-XLIONFOSSA-N 1 0 386.421 3.930 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1OCCc2sccc21 ZINC000291740719 915342405 /nfs/dbraw/zinc/34/24/05/915342405.db2.gz OVMAVMSDFAFERW-OPAMFIHVSA-N 1 0 381.545 3.876 20 30 GHEDRO CCN(CC)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1cccc(OC)c1 ZINC000304479040 915516442 /nfs/dbraw/zinc/51/64/42/915516442.db2.gz IUICZDNHELXXDL-SFTDATJTSA-N 1 0 396.535 3.506 20 30 GHEDRO [NH2+]=C(NCCOc1cccc(C(F)(F)F)c1)N[C@@H]1CCOc2ccccc21 ZINC000304506929 915526247 /nfs/dbraw/zinc/52/62/47/915526247.db2.gz RJDZLYTXLXNUFC-MRXNPFEDSA-N 1 0 379.382 3.512 20 30 GHEDRO COc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c(OC2CCCC2)c1 ZINC000304642710 915585346 /nfs/dbraw/zinc/58/53/46/915585346.db2.gz DAHQPFVFCKNPCF-FQEVSTJZSA-N 1 0 395.503 3.945 20 30 GHEDRO Cc1nc(CN2CCC(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC2)oc1C ZINC000304742217 915668893 /nfs/dbraw/zinc/66/88/93/915668893.db2.gz CNGAMSRYVPNGHX-INIZCTEOSA-N 1 0 377.577 3.623 20 30 GHEDRO CCc1nc(CN2CCC(CNC(=[NH2+])Nc3cccc(CC)c3)CC2)cs1 ZINC000304739945 915669282 /nfs/dbraw/zinc/66/92/82/915669282.db2.gz BKJXXAZLJKPSAC-UHFFFAOYSA-N 1 0 385.581 3.907 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCOc2ccc(F)c(F)c2)c1 ZINC000304757672 915672608 /nfs/dbraw/zinc/67/26/08/915672608.db2.gz PBTUEXHSPWYGEL-UHFFFAOYSA-N 1 0 379.407 3.568 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1OCCc2sccc21 ZINC000292518505 915721029 /nfs/dbraw/zinc/72/10/29/915721029.db2.gz WCXMMHWOLDPKCW-ZMZPIMSZSA-N 1 0 375.881 3.504 20 30 GHEDRO Cc1nc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C(C)C)c(Cl)cc1C#N ZINC000292640563 915777728 /nfs/dbraw/zinc/77/77/28/915777728.db2.gz OOPVSXZXWZEMDO-GFCCVEGCSA-N 1 0 376.917 3.706 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(C#N)cc1 ZINC000775164394 915990956 /nfs/dbraw/zinc/99/09/56/915990956.db2.gz XTIPYQLJMWNFMX-BDAKNGLRSA-N 1 0 383.320 3.932 20 30 GHEDRO COc1cccc(O[C@H](C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305239583 916012495 /nfs/dbraw/zinc/01/24/95/916012495.db2.gz QBTCPOWNWQFPDL-GFCCVEGCSA-N 1 0 383.370 3.788 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001188644147 916072250 /nfs/dbraw/zinc/07/22/50/916072250.db2.gz CMGLHHWXAGGQML-UGKGYDQZSA-N 1 0 398.572 3.994 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001188644145 916073125 /nfs/dbraw/zinc/07/31/25/916073125.db2.gz CMGLHHWXAGGQML-KNQAVFIVSA-N 1 0 398.572 3.994 20 30 GHEDRO [NH2+]=C(NCCOCc1ccc(Cl)cc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000305776387 916371212 /nfs/dbraw/zinc/37/12/12/916371212.db2.gz KQJLMMQOLDANGP-QGZVFWFLSA-N 1 0 394.302 3.938 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000775246359 916625395 /nfs/dbraw/zinc/62/53/95/916625395.db2.gz SQCIUWQWRVXJRB-LAUBAEHRSA-N 1 0 382.460 3.505 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2Cc2ccc(OC)cc2)CC1 ZINC000650852005 917303526 /nfs/dbraw/zinc/30/35/26/917303526.db2.gz MMNDOAPNHAUBKB-OAQYLSRUSA-N 1 0 385.552 3.842 20 30 GHEDRO CN(C)c1ccc(C[N@H+](C2CC2)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001190447097 917348126 /nfs/dbraw/zinc/34/81/26/917348126.db2.gz ROMSLCAFALFSRH-QHCPKHFHSA-N 1 0 388.515 3.784 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000775403379 917508075 /nfs/dbraw/zinc/50/80/75/917508075.db2.gz HKNKUTJWRLLWKK-CTNGQTDRSA-N 1 0 375.497 3.703 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)N3CCCc4ccccc43)CC2)c1 ZINC001190903813 917654670 /nfs/dbraw/zinc/65/46/70/917654670.db2.gz FIWWJNZMOXEXEE-UHFFFAOYSA-N 1 0 389.499 3.771 20 30 GHEDRO CC[NH+]1CCC(CC2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)CC1 ZINC001191927397 918302891 /nfs/dbraw/zinc/30/28/91/918302891.db2.gz BAZCSUHGSHXSDC-UHFFFAOYSA-N 1 0 375.463 3.811 20 30 GHEDRO COC[C@@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000296918117 918904738 /nfs/dbraw/zinc/90/47/38/918904738.db2.gz WPDMLYYLRWMRRQ-FQEVSTJZSA-N 1 0 375.538 3.576 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC4(CCOCC4)CC3)c2)c1 ZINC000364234029 919261232 /nfs/dbraw/zinc/26/12/32/919261232.db2.gz CVSZCEDSSUPUFX-UHFFFAOYSA-N 1 0 392.499 3.909 20 30 GHEDRO Cc1ccccc1NC(=O)[C@@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000113249853 919364938 /nfs/dbraw/zinc/36/49/38/919364938.db2.gz TXZCOMSNAVYQQV-GOSISDBHSA-N 1 0 394.519 3.645 20 30 GHEDRO COc1cc(C[NH+]2CCC([C@H](C)O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000116879375 919523204 /nfs/dbraw/zinc/52/32/04/919523204.db2.gz AVNHJLROLBWMOG-KRWDZBQOSA-N 1 0 380.488 3.739 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3)CC2)C1=O ZINC001275916708 919595608 /nfs/dbraw/zinc/59/56/08/919595608.db2.gz YOOTVVROAPCETO-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC(C)C)[n+]2ccc(N(C)C)cc2)c(C)s1 ZINC000297755803 919731478 /nfs/dbraw/zinc/73/14/78/919731478.db2.gz ORJBETDQENBEHF-UHFFFAOYSA-O 1 0 376.571 3.655 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C ZINC000900087422 919828228 /nfs/dbraw/zinc/82/82/28/919828228.db2.gz KKRWMQXTUZCQKU-UHFFFAOYSA-N 1 0 397.544 3.701 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000900298721 920148549 /nfs/dbraw/zinc/14/85/49/920148549.db2.gz DOMYIDOEYDVONH-INIZCTEOSA-N 1 0 383.467 3.763 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364982384 920265346 /nfs/dbraw/zinc/26/53/46/920265346.db2.gz GAYGDKQNVDZRFD-YLJYHZDGSA-N 1 0 379.529 3.943 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(Br)cc3Cl)CC2)C1=O ZINC001275965074 920328833 /nfs/dbraw/zinc/32/88/33/920328833.db2.gz BYPPKMJSCABLII-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO CC(C)[NH+]1CCN(CCCC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000900638569 920479922 /nfs/dbraw/zinc/47/99/22/920479922.db2.gz XFVKHOIPYRPXQJ-GOSISDBHSA-N 1 0 388.581 3.826 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000800882840 920560930 /nfs/dbraw/zinc/56/09/30/920560930.db2.gz CYEZIZRYAPBNEJ-AZUAARDMSA-N 1 0 377.488 3.614 20 30 GHEDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cn1 ZINC000298465086 920569692 /nfs/dbraw/zinc/56/96/92/920569692.db2.gz RXQPUIXTDUXMES-ZIAGYGMSSA-N 1 0 385.537 3.640 20 30 GHEDRO N#CCCCn1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c2ccccc21 ZINC000365464626 920824283 /nfs/dbraw/zinc/82/42/83/920824283.db2.gz USBYABOFEPVMKB-UHFFFAOYSA-N 1 0 378.520 3.893 20 30 GHEDRO N#C[C@H](C(=O)C[N@@H+]1CCC[C@@H]1C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298800239 920942081 /nfs/dbraw/zinc/94/20/81/920942081.db2.gz NOVQEUXHDOGYDO-IEBWSBKVSA-N 1 0 378.476 3.556 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000367220202 921980324 /nfs/dbraw/zinc/98/03/24/921980324.db2.gz RWCQISLYUJSEQO-JXFKEZNVSA-N 1 0 397.954 3.531 20 30 GHEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000367607948 922227430 /nfs/dbraw/zinc/22/74/30/922227430.db2.gz PNDRZRHOKBLXQJ-KRWDZBQOSA-N 1 0 397.544 3.671 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)cc1Cl ZINC000368035018 922440563 /nfs/dbraw/zinc/44/05/63/922440563.db2.gz LHXRFFCTQWHBQU-INIZCTEOSA-N 1 0 388.899 3.966 20 30 GHEDRO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000902784275 922491626 /nfs/dbraw/zinc/49/16/26/922491626.db2.gz RWHXEOSPDVUPMU-DYESRHJHSA-N 1 0 376.504 3.789 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(C#N)ccn1 ZINC000902837538 922544154 /nfs/dbraw/zinc/54/41/54/922544154.db2.gz ZBJPOCUKWMKVAL-FZMZJTMJSA-N 1 0 395.816 3.950 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)[C@H]1Cc2ccccc2O1 ZINC000903150457 922811275 /nfs/dbraw/zinc/81/12/75/922811275.db2.gz RMIPFBQDFGHRME-LHQXJTHXSA-N 1 0 377.550 3.518 20 30 GHEDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000903173151 922829546 /nfs/dbraw/zinc/82/95/46/922829546.db2.gz KAJLMNVSXIFWMP-JOCHJYFZSA-N 1 0 397.544 3.507 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000903426315 923017706 /nfs/dbraw/zinc/01/77/06/923017706.db2.gz WUCNMWFINKKIQW-NRFANRHFSA-N 1 0 381.501 3.630 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cccc(CC#N)c2)c1 ZINC000803660666 923129479 /nfs/dbraw/zinc/12/94/79/923129479.db2.gz YIQALBORJQQPCB-UHFFFAOYSA-N 1 0 379.460 3.504 20 30 GHEDRO COC(=O)c1ccc2c(c1)[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000827044201 924662734 /nfs/dbraw/zinc/66/27/34/924662734.db2.gz IUSFSUKJRSUCAB-JXFKEZNVSA-N 1 0 378.472 3.974 20 30 GHEDRO Cc1ccc(Br)c(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1 ZINC001137384522 925207747 /nfs/dbraw/zinc/20/77/47/925207747.db2.gz GVHJUJZBNDIJPT-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)cc1OCCCC#N ZINC000372297299 925318624 /nfs/dbraw/zinc/31/86/24/925318624.db2.gz IDBXWIVWWBVNNB-FQEVSTJZSA-N 1 0 393.487 3.965 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000372578557 925552823 /nfs/dbraw/zinc/55/28/23/925552823.db2.gz SGIKRZRJXWBKPV-FKBYEOEOSA-N 1 0 391.519 3.761 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000680971684 925672870 /nfs/dbraw/zinc/67/28/70/925672870.db2.gz NGGSWZNEZPFNFJ-IBGZPJMESA-N 1 0 394.515 3.997 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)c1ccc(C#N)n1C)c1cccc(C(F)(F)F)c1 ZINC000410662166 925778345 /nfs/dbraw/zinc/77/83/45/925778345.db2.gz KTCHXPRHNWHTJK-UHFFFAOYSA-N 1 0 392.425 3.904 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(c3ccccn3)CC2)ccc1OC ZINC000373143570 925887062 /nfs/dbraw/zinc/88/70/62/925887062.db2.gz XKIFTFYBWBKYEV-LJQANCHMSA-N 1 0 380.492 3.530 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000373515756 926212028 /nfs/dbraw/zinc/21/20/28/926212028.db2.gz NNEORSLDHJZZSZ-UHFFFAOYSA-N 1 0 386.499 3.776 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(OC)c(OC)c1)[C@H]2CC ZINC001137503434 926220534 /nfs/dbraw/zinc/22/05/34/926220534.db2.gz ZCJRHUPLUHYNKD-UGKGYDQZSA-N 1 0 390.499 3.765 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)cc1 ZINC000827942871 926351142 /nfs/dbraw/zinc/35/11/42/926351142.db2.gz TUJBUIICDKKQFB-QGZVFWFLSA-N 1 0 384.501 3.711 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@]3(C)CCCO)sc2C1 ZINC000411433577 926389056 /nfs/dbraw/zinc/38/90/56/926389056.db2.gz APGVAQVHDSZPTC-VFNWGFHPSA-N 1 0 389.565 3.700 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](CCOc2cccc(C#N)c2)C2CC2)CC1 ZINC000725801142 926445068 /nfs/dbraw/zinc/44/50/68/926445068.db2.gz VPVZEOFFXAGXSX-UHFFFAOYSA-N 1 0 385.508 3.801 20 30 GHEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411551390 926510463 /nfs/dbraw/zinc/51/04/63/926510463.db2.gz MSLRVPGDOQEBOI-QFIPXVFZSA-N 1 0 378.520 3.633 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1)C(C)C ZINC000726053498 926539939 /nfs/dbraw/zinc/53/99/39/926539939.db2.gz FBQHCCOTXYPNKY-GOSISDBHSA-N 1 0 399.535 3.805 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(OCC3CC3)CC2)sc2c1CCCC2 ZINC000374092466 926749360 /nfs/dbraw/zinc/74/93/60/926749360.db2.gz JHDNJFOXNBORHQ-UHFFFAOYSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000411815318 926807275 /nfs/dbraw/zinc/80/72/75/926807275.db2.gz JGTBMBJHPHNWQG-JOCHJYFZSA-N 1 0 377.488 3.770 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccncc2OCC(F)F)c(-c2ccccc2)n1 ZINC000374143415 926829204 /nfs/dbraw/zinc/82/92/04/926829204.db2.gz MJVZGXYZYFMVFA-UHFFFAOYSA-N 1 0 397.429 3.792 20 30 GHEDRO C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000726917035 926929038 /nfs/dbraw/zinc/92/90/38/926929038.db2.gz ZSVYOHFLAMUMBY-UHFFFAOYSA-N 1 0 376.460 3.870 20 30 GHEDRO COC1([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCC1 ZINC000412025666 927013273 /nfs/dbraw/zinc/01/32/73/927013273.db2.gz QMKYAAOLCAYACF-INIZCTEOSA-N 1 0 398.482 3.591 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000412073284 927070157 /nfs/dbraw/zinc/07/01/57/927070157.db2.gz HWFIREOTKZMKQH-DYESRHJHSA-N 1 0 380.488 3.739 20 30 GHEDRO Brc1cn2ccnc2c(N=NC2CCCC[C@H]2[NH+]2CCCCC2)n1 ZINC000749863352 927318828 /nfs/dbraw/zinc/31/88/28/927318828.db2.gz SUYBMVJNFSIFCN-CQSZACIVSA-N 1 0 391.317 3.688 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412336719 927347383 /nfs/dbraw/zinc/34/73/83/927347383.db2.gz LKGZDYOUNMJTOL-FQEVSTJZSA-N 1 0 390.597 3.586 20 30 GHEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000374784581 927518617 /nfs/dbraw/zinc/51/86/17/927518617.db2.gz YSMBXEVJLRDSDR-ZNXRZULTSA-N 1 0 397.910 3.684 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750858941 927900575 /nfs/dbraw/zinc/90/05/75/927900575.db2.gz HVGAHNCGXOKPTI-UHFFFAOYSA-N 1 0 399.535 3.639 20 30 GHEDRO N#Cc1ncc(C(F)(F)F)cc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000413164547 928278830 /nfs/dbraw/zinc/27/88/30/928278830.db2.gz ZNSCEDMCAUVTAU-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000543839359 928486147 /nfs/dbraw/zinc/48/61/47/928486147.db2.gz LWCUJIOBCWSQRL-HNAYVOBHSA-N 1 0 383.517 3.509 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000466978688 928560735 /nfs/dbraw/zinc/56/07/35/928560735.db2.gz HTTOSSFFUDBVDT-VQIMIIECSA-N 1 0 379.508 3.899 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000752306448 928745802 /nfs/dbraw/zinc/74/58/02/928745802.db2.gz FTKANEMQJWBNDK-IBGZPJMESA-N 1 0 395.463 3.551 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000467209344 928827128 /nfs/dbraw/zinc/82/71/28/928827128.db2.gz WFFRSEHDWXFUKE-VSKRKVRLSA-N 1 0 396.579 3.886 20 30 GHEDRO C=CCC(CC=C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000467530453 929167696 /nfs/dbraw/zinc/16/76/96/929167696.db2.gz CLXYKONYJLRDSX-UHFFFAOYSA-N 1 0 395.469 3.842 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)c2cnn(C)c2)ccc1OCc1cccc(C#N)c1 ZINC000544470867 929216514 /nfs/dbraw/zinc/21/65/14/929216514.db2.gz GQKNDINIEPRPMV-MRXNPFEDSA-N 1 0 376.460 3.730 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](CCCc1ccccc1Br)CC2 ZINC001276280765 929236561 /nfs/dbraw/zinc/23/65/61/929236561.db2.gz RBWUTGPSKTVSQM-QGZVFWFLSA-N 1 0 391.353 3.786 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](CCCc1ccccc1Br)CC2 ZINC001276280764 929236845 /nfs/dbraw/zinc/23/68/45/929236845.db2.gz RBWUTGPSKTVSQM-KRWDZBQOSA-N 1 0 391.353 3.786 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](CCCc3ccccc3Br)C2)C1=O ZINC001276279714 929245088 /nfs/dbraw/zinc/24/50/88/929245088.db2.gz AFWKCOBWEXTSSL-FQEVSTJZSA-N 1 0 391.353 3.882 20 30 GHEDRO Clc1ccc(OCc2nc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cs2)cc1 ZINC000753935304 929600041 /nfs/dbraw/zinc/60/00/41/929600041.db2.gz NJVPFTAMYFWCKB-IYBDPMFKSA-N 1 0 389.912 3.569 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000546005297 929765510 /nfs/dbraw/zinc/76/55/10/929765510.db2.gz JBRFYHJSOIBTQC-INIZCTEOSA-N 1 0 384.505 3.662 20 30 GHEDRO COc1ccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)cc1C#N ZINC000757959253 929870379 /nfs/dbraw/zinc/87/03/79/929870379.db2.gz YVBNCGHWHFXHGF-UHFFFAOYSA-N 1 0 399.292 3.618 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469448467 929901386 /nfs/dbraw/zinc/90/13/86/929901386.db2.gz POJFQSVDRSTOJO-QVKFZJNVSA-N 1 0 377.479 3.662 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(COc3ccc(C#N)cc3)n2)cc1 ZINC000546326886 930056900 /nfs/dbraw/zinc/05/69/00/930056900.db2.gz NHRLBKKXYVERJC-UHFFFAOYSA-N 1 0 392.459 3.908 20 30 GHEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469792803 930165469 /nfs/dbraw/zinc/16/54/69/930165469.db2.gz WYHDEKBUXWPXME-ROUUACIJSA-N 1 0 398.494 3.827 20 30 GHEDRO C=CCOCC[NH2+][C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000780745617 930590020 /nfs/dbraw/zinc/59/00/20/930590020.db2.gz SDOUQJKEMBRIBE-AVRDEDQJSA-N 1 0 388.508 3.682 20 30 GHEDRO CO[C@@]1(C(F)(F)F)CCCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000781977039 931049285 /nfs/dbraw/zinc/04/92/85/931049285.db2.gz HVYYYAWXBVGKQC-IBGZPJMESA-N 1 0 397.441 3.593 20 30 GHEDRO CO[C@]1(C(F)(F)F)CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983089 931051027 /nfs/dbraw/zinc/05/10/27/931051027.db2.gz FBALOMIIFDNRET-VQIMIIECSA-N 1 0 397.441 3.674 20 30 GHEDRO C[C@H]1OCC[C@@]12C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCO2 ZINC000470951832 931054192 /nfs/dbraw/zinc/05/41/92/931054192.db2.gz YTSQYBOEGPWYSY-HYBUGGRVSA-N 1 0 376.500 3.766 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F ZINC000557545291 931532195 /nfs/dbraw/zinc/53/21/95/931532195.db2.gz APQSIXYXUDQDNA-GDBMZVCRSA-N 1 0 378.394 3.862 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2cc(Cl)ccn2c1C#N ZINC000557632316 931585271 /nfs/dbraw/zinc/58/52/71/931585271.db2.gz YSUBMOLVGQLNDR-QGZVFWFLSA-N 1 0 379.895 3.818 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000557691503 931613767 /nfs/dbraw/zinc/61/37/67/931613767.db2.gz CMJNXZHDMMQOQW-UGSOOPFHSA-N 1 0 379.420 3.571 20 30 GHEDRO CCCCCCC[C@]1(C)NC(=O)N(N=Cc2cn(-c3cc[nH+]cc3)nc2C)C1=O ZINC000783812440 931664647 /nfs/dbraw/zinc/66/46/47/931664647.db2.gz RLYJWGWFYIEBGG-NRFANRHFSA-N 1 0 396.495 3.581 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000925561410 931823239 /nfs/dbraw/zinc/82/32/39/931823239.db2.gz BMBGJNKVNBMSNI-ROUUACIJSA-N 1 0 391.556 3.997 20 30 GHEDRO Cc1ccc(N(C)[C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000784375329 931874528 /nfs/dbraw/zinc/87/45/28/931874528.db2.gz QXXQOCUKCRBMOW-LJQANCHMSA-N 1 0 382.533 3.858 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1cccnc1 ZINC000925907343 931951889 /nfs/dbraw/zinc/95/18/89/931951889.db2.gz YRIKCQQOVFLSMX-FKBYEOEOSA-N 1 0 391.519 3.556 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926019757 932003012 /nfs/dbraw/zinc/00/30/12/932003012.db2.gz PQBJACSOKPSHBR-KRWDZBQOSA-N 1 0 378.476 3.648 20 30 GHEDRO COCCC(C)(C)C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926169045 932069367 /nfs/dbraw/zinc/06/93/67/932069367.db2.gz XDSFXZZTQLURRD-KRWDZBQOSA-N 1 0 381.561 3.958 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)cc(OC)c1OC ZINC000796809561 932075530 /nfs/dbraw/zinc/07/55/30/932075530.db2.gz BAXPBJNLZGUVMH-AWEZNQCLSA-N 1 0 382.460 3.614 20 30 GHEDRO CCCN(CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000796849691 932088357 /nfs/dbraw/zinc/08/83/57/932088357.db2.gz VPBAPYKQRGBNKL-UHFFFAOYSA-N 1 0 386.540 3.764 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000558660086 932146676 /nfs/dbraw/zinc/14/66/76/932146676.db2.gz DDKFZIHJHZHRIR-SFHVURJKSA-N 1 0 392.551 3.835 20 30 GHEDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926533757 932220141 /nfs/dbraw/zinc/22/01/41/932220141.db2.gz UKASQZDOSOFXBC-DLBZAZTESA-N 1 0 389.544 3.873 20 30 GHEDRO N#CCc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000797229064 932227480 /nfs/dbraw/zinc/22/74/80/932227480.db2.gz XUOVRWGKONAQFH-FQEVSTJZSA-N 1 0 384.426 3.953 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000926695977 932275417 /nfs/dbraw/zinc/27/54/17/932275417.db2.gz ILNVACUETLHOJV-IAGOWNOFSA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000558895737 932298414 /nfs/dbraw/zinc/29/84/14/932298414.db2.gz IRTDJWSKGWNTRI-IFMALSPDSA-N 1 0 398.457 3.589 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000926823190 932318713 /nfs/dbraw/zinc/31/87/13/932318713.db2.gz GSLZNRZNEAWXJV-XWSJACJDSA-N 1 0 391.556 3.853 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cc(C2CC2)no1 ZINC000926868596 932331525 /nfs/dbraw/zinc/33/15/25/932331525.db2.gz JSMSAJPPPZOOAW-HNNXBMFYSA-N 1 0 388.512 3.961 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCSC4(CCC4)C3)CC2)cc1 ZINC000927259795 932466742 /nfs/dbraw/zinc/46/67/42/932466742.db2.gz UAZUWAHHCYQUIC-HXUWFJFHSA-N 1 0 398.576 3.594 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000799125622 932883380 /nfs/dbraw/zinc/88/33/80/932883380.db2.gz RFSRHPAQKZPMFU-MSOLQXFVSA-N 1 0 379.545 3.712 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](c4ccccn4)C3)sc2C1 ZINC000799192765 932907965 /nfs/dbraw/zinc/90/79/65/932907965.db2.gz HIQSSLBWZROHPF-CVEARBPZSA-N 1 0 394.544 3.958 20 30 GHEDRO C[C@]1(CNC(=O)Nc2ccc(F)cc2OCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000799220077 932922816 /nfs/dbraw/zinc/92/28/16/932922816.db2.gz FOURIHTVANRURI-JOCHJYFZSA-N 1 0 396.466 3.762 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H](O)c2ccc(F)cn2)cc1 ZINC000799306612 932945104 /nfs/dbraw/zinc/94/51/04/932945104.db2.gz QAYGXVKOZPNKRZ-JOCHJYFZSA-N 1 0 379.410 3.967 20 30 GHEDRO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1C#N ZINC000799698646 933095911 /nfs/dbraw/zinc/09/59/11/933095911.db2.gz YXARCAIQFSHBPH-IBGZPJMESA-N 1 0 383.879 3.620 20 30 GHEDRO COc1ccc(COCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000560531285 933315058 /nfs/dbraw/zinc/31/50/58/933315058.db2.gz ZVJZLARFKUWPRK-UHFFFAOYSA-N 1 0 379.504 3.732 20 30 GHEDRO CSc1cccc([C@H]([NH2+]CCn2cnc(C#N)n2)c2ccc(F)c(F)c2)c1 ZINC000560583928 933362290 /nfs/dbraw/zinc/36/22/90/933362290.db2.gz DAULJLHPNNHFPH-IBGZPJMESA-N 1 0 385.443 3.529 20 30 GHEDRO N#Cc1csc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)n1 ZINC000560596508 933370304 /nfs/dbraw/zinc/37/03/04/933370304.db2.gz PQGOGKHMVNNDDI-LEWJYISDSA-N 1 0 392.503 3.912 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1COc2ccccc21 ZINC000560713518 933486704 /nfs/dbraw/zinc/48/67/04/933486704.db2.gz HNEFEXSUEMGGGT-DYVFJYSZSA-N 1 0 381.501 3.591 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000777809969 933558625 /nfs/dbraw/zinc/55/86/25/933558625.db2.gz VFXIEYYYYMUTKN-PMACEKPBSA-N 1 0 379.508 3.637 20 30 GHEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000777807056 933563174 /nfs/dbraw/zinc/56/31/74/933563174.db2.gz BMHFNYCGOPNYDG-FQEVSTJZSA-N 1 0 387.487 3.992 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(OCC#N)cc2)CC1)CC1CC1 ZINC001116453431 933568815 /nfs/dbraw/zinc/56/88/15/933568815.db2.gz KSJJCFHRSAGPFU-UHFFFAOYSA-N 1 0 384.524 3.955 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001116597127 933655546 /nfs/dbraw/zinc/65/55/46/933655546.db2.gz GPWMZRABQKGILM-FQEVSTJZSA-N 1 0 378.476 3.717 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC001116713938 933718451 /nfs/dbraw/zinc/71/84/51/933718451.db2.gz VIRYCXPZLKBMPF-HXUWFJFHSA-N 1 0 399.535 3.705 20 30 GHEDRO C=CC[C@H]1CCN1C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000930530558 934085189 /nfs/dbraw/zinc/08/51/89/934085189.db2.gz UWHGYIAWXPNGQZ-INIZCTEOSA-N 1 0 392.931 3.594 20 30 GHEDRO C[C@](O)(C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)C(F)(F)C(F)(F)F ZINC000930695462 934189755 /nfs/dbraw/zinc/18/97/55/934189755.db2.gz LZBGVFZCIBFQDI-QWRGUYRKSA-N 1 0 399.322 3.616 20 30 GHEDRO C#C[C@H](NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC001118580471 934203448 /nfs/dbraw/zinc/20/34/48/934203448.db2.gz MNVPHVCJJKGGGT-KNQAVFIVSA-N 1 0 391.515 3.560 20 30 GHEDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC001119572714 934369294 /nfs/dbraw/zinc/36/92/94/934369294.db2.gz NERHMHDQVOTNNA-UHFFFAOYSA-N 1 0 385.552 3.934 20 30 GHEDRO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cnc1Br ZINC000931256127 934466172 /nfs/dbraw/zinc/46/61/72/934466172.db2.gz IDLIGDJPBJQQHI-UHFFFAOYSA-N 1 0 386.293 3.820 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC001120512147 934469538 /nfs/dbraw/zinc/46/95/38/934469538.db2.gz ZQYYTPZNABBRIJ-UYAOXDASSA-N 1 0 384.524 3.561 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000561916876 934556891 /nfs/dbraw/zinc/55/68/91/934556891.db2.gz GODJXVLUUKLTQE-INIZCTEOSA-N 1 0 378.259 3.517 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000561956768 934583694 /nfs/dbraw/zinc/58/36/94/934583694.db2.gz BJGXIOZLUZGPKR-UHFFFAOYSA-N 1 0 376.435 3.997 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001121501565 934676527 /nfs/dbraw/zinc/67/65/27/934676527.db2.gz BEGJTPNQVJAHLK-QUCCMNQESA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001121572105 934701515 /nfs/dbraw/zinc/70/15/15/934701515.db2.gz AKXSQDWRBNDBFD-KRWDZBQOSA-N 1 0 392.507 3.528 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[NH+](C)C)cc1 ZINC000562146923 934726989 /nfs/dbraw/zinc/72/69/89/934726989.db2.gz OHCMSFQYCRZXAB-HXUWFJFHSA-N 1 0 384.455 3.909 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000931855607 934748471 /nfs/dbraw/zinc/74/84/71/934748471.db2.gz TUORPBNVWJGXRN-NRFANRHFSA-N 1 0 377.529 3.562 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)NCc3nc(C#N)cs3)sc2c1)C1CC1 ZINC000931909602 934762149 /nfs/dbraw/zinc/76/21/49/934762149.db2.gz SZNFTUIUEHEUSH-UHFFFAOYSA-N 1 0 398.517 3.540 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001121870110 934781010 /nfs/dbraw/zinc/78/10/10/934781010.db2.gz OJIXDJUPFORDFL-QMHWCDLVSA-N 1 0 392.551 3.664 20 30 GHEDRO COc1cc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)ccc1C#N ZINC000562252446 934789131 /nfs/dbraw/zinc/78/91/31/934789131.db2.gz JVHQOSKNYLKUPC-OAQYLSRUSA-N 1 0 392.503 3.512 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccccc1 ZINC000931993707 934793489 /nfs/dbraw/zinc/79/34/89/934793489.db2.gz LGSAGQLFFFFJRE-XXBNENTESA-N 1 0 399.535 3.662 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2nccs2)C(=S)Nc2ccccc2C#N)cc1 ZINC000778063023 934827581 /nfs/dbraw/zinc/82/75/81/934827581.db2.gz GHTRQJRNNNMHGN-UHFFFAOYSA-O 1 0 379.490 3.934 20 30 GHEDRO N#CC1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCSCC1 ZINC000932189269 934844527 /nfs/dbraw/zinc/84/45/27/934844527.db2.gz RWLLDEPMWZRCQK-UHFFFAOYSA-N 1 0 391.968 3.705 20 30 GHEDRO CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000932285457 934867675 /nfs/dbraw/zinc/86/76/75/934867675.db2.gz OOIKRYPNFDZKTR-HOTGVXAUSA-N 1 0 396.453 3.743 20 30 GHEDRO C=C(C)Cn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@H](CC)OCC ZINC001122485573 934881235 /nfs/dbraw/zinc/88/12/35/934881235.db2.gz MCNTUJFKSSDUNN-SFHVURJKSA-N 1 0 387.532 3.549 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001122609003 934918586 /nfs/dbraw/zinc/91/85/86/934918586.db2.gz GXYIQTAVISERSQ-HLAWJBBLSA-N 1 0 396.583 3.962 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c(F)c1 ZINC001125162095 935538702 /nfs/dbraw/zinc/53/87/02/935538702.db2.gz ZNHJNBVRWXNOPF-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO CN(c1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001125250565 935558370 /nfs/dbraw/zinc/55/83/70/935558370.db2.gz TVNKPMPCQLTPIV-QFIPXVFZSA-N 1 0 376.504 3.853 20 30 GHEDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC001137640225 935655905 /nfs/dbraw/zinc/65/59/05/935655905.db2.gz XAMJHOKIOQTGAD-DZGCQCFKSA-N 1 0 379.298 3.732 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c(C#N)c1 ZINC001137702332 935733172 /nfs/dbraw/zinc/73/31/72/935733172.db2.gz MCRUILXMWXZYCD-AQKKSAQBSA-N 1 0 393.462 3.803 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001137765998 935778821 /nfs/dbraw/zinc/77/88/21/935778821.db2.gz SZXJYDNZKDAHEP-PKTZIBPZSA-N 1 0 379.504 3.717 20 30 GHEDRO C[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137854716 935827036 /nfs/dbraw/zinc/82/70/36/935827036.db2.gz DZDAUIOZUHANJG-VQIMIIECSA-N 1 0 383.442 3.677 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000829649741 935838852 /nfs/dbraw/zinc/83/88/52/935838852.db2.gz GMWGSZJQJDIUKD-PBHICJAKSA-N 1 0 393.915 3.977 20 30 GHEDRO CC(=O)N1CCC([N@@H+](C)Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CC1 ZINC001137902802 935856754 /nfs/dbraw/zinc/85/67/54/935856754.db2.gz SKPRLORAWYLYFB-UHFFFAOYSA-N 1 0 376.504 3.769 20 30 GHEDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCS1 ZINC001137904315 935858027 /nfs/dbraw/zinc/85/80/27/935858027.db2.gz YFXHQVYKJHMLIX-NRFANRHFSA-N 1 0 395.528 3.807 20 30 GHEDRO CC[NH+](CC)C[C@H]1CN(Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137904208 935858117 /nfs/dbraw/zinc/85/81/17/935858117.db2.gz RLYZARRLNFERSW-DEOSSOPVSA-N 1 0 392.547 3.869 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)on2)c1 ZINC000468224485 1015443237 /nfs/dbraw/zinc/44/32/37/1015443237.db2.gz LIJGNFWLRHLGHQ-UHFFFAOYSA-N 1 0 386.455 3.739 20 30 GHEDRO N#Cc1ccc([C@@H](C(N)=O)N2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC000545172485 1015612239 /nfs/dbraw/zinc/61/22/39/1015612239.db2.gz YJGPALVLFQYQJT-IBGZPJMESA-N 1 0 396.288 3.636 20 30 GHEDRO C=C1CC=C(F)C=C1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC001220797475 1032125403 /nfs/dbraw/zinc/12/54/03/1032125403.db2.gz QLAVSGWKCSADFA-CVEARBPZSA-N 1 0 377.257 3.566 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC)Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC001226797391 1032134114 /nfs/dbraw/zinc/13/41/14/1032134114.db2.gz MBISUGFTSMOSQM-MRXNPFEDSA-N 1 0 390.597 3.840 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccco1 ZINC000468751013 1015991831 /nfs/dbraw/zinc/99/18/31/1015991831.db2.gz ABGFOAINVKAPNK-SFHVURJKSA-N 1 0 378.432 3.619 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000469084109 1016440547 /nfs/dbraw/zinc/44/05/47/1016440547.db2.gz WUBZMRAYAHYLTO-UHFFFAOYSA-N 1 0 383.358 3.728 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(CCO)CCCC1 ZINC000925193669 1017048311 /nfs/dbraw/zinc/04/83/11/1017048311.db2.gz HMADKRKXKWTEGN-GOSISDBHSA-N 1 0 393.572 3.838 20 30 GHEDRO COc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)c1Cl ZINC001277165552 1032193319 /nfs/dbraw/zinc/19/33/19/1032193319.db2.gz CFHSGBQCMPOWBI-HXUWFJFHSA-N 1 0 375.900 3.609 20 30 GHEDRO CC(C)Oc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)cc1C#N ZINC001221042629 1032250326 /nfs/dbraw/zinc/25/03/26/1032250326.db2.gz IMAVMUIOWLQKRJ-QFIPXVFZSA-N 1 0 395.478 3.955 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001227176666 1032309214 /nfs/dbraw/zinc/30/92/14/1032309214.db2.gz KVUKVNHVDPVVPM-OAHLLOKOSA-N 1 0 378.831 3.642 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221407808 1032402037 /nfs/dbraw/zinc/40/20/37/1032402037.db2.gz FBADTHPUIDOIKA-QHCPKHFHSA-N 1 0 393.616 3.870 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(OCC)ncc3Cl)CC2)C1=O ZINC001277207443 1032413567 /nfs/dbraw/zinc/41/35/67/1032413567.db2.gz KVBHVQMPBCEHCN-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO C[C@@H]1C[C@@H](CNC(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)C[NH2+]1 ZINC001155101780 1032415839 /nfs/dbraw/zinc/41/58/39/1032415839.db2.gz JGSOEDBMWGGJBN-TZMCWYRMSA-N 1 0 376.838 3.911 20 30 GHEDRO C#CCN(C(=O)NC(Cc1ccccc1)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001221506453 1032439946 /nfs/dbraw/zinc/43/99/46/1032439946.db2.gz BQVSIEFCHTYDLX-UHFFFAOYSA-N 1 0 389.543 3.579 20 30 GHEDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1c(C#N)c(Cl)nc2cccc(C)c21 ZINC001155236956 1032466909 /nfs/dbraw/zinc/46/69/09/1032466909.db2.gz RBOIEBCDENXQSR-MRXNPFEDSA-N 1 0 388.899 3.611 20 30 GHEDRO COc1c(Cl)cnc(O[C@@H]2CCCN(Cc3ccccc3F)C2)c1C#N ZINC001227557846 1032464065 /nfs/dbraw/zinc/46/40/65/1032464065.db2.gz TYFXXUIZMKMPTO-CQSZACIVSA-N 1 0 375.831 3.798 20 30 GHEDRO C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@H+](C)Cc1ccccc1 ZINC001227764136 1032546302 /nfs/dbraw/zinc/54/63/02/1032546302.db2.gz CUAJHMNJJCVNHC-JTSKRJEESA-N 1 0 376.504 3.755 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001155560390 1032579962 /nfs/dbraw/zinc/57/99/62/1032579962.db2.gz YZWAEYMSCUIPGZ-JTQLQIEISA-N 1 0 375.231 3.805 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(N(C)C)c3ccccc13)CC2 ZINC001204237171 1032683471 /nfs/dbraw/zinc/68/34/71/1032683471.db2.gz GQTIDHBJYACALX-UHFFFAOYSA-N 1 0 390.531 3.900 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCCn2nccc21 ZINC000926818662 1017314742 /nfs/dbraw/zinc/31/47/42/1017314742.db2.gz ZIPAVODOUDSTKF-IAGOWNOFSA-N 1 0 387.528 3.627 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000926859553 1017318287 /nfs/dbraw/zinc/31/82/87/1017318287.db2.gz HXRXUQDAPBMARR-ZWKOTPCHSA-N 1 0 391.556 3.997 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001227924875 1032697282 /nfs/dbraw/zinc/69/72/82/1032697282.db2.gz RJUCFZVPLSMQCB-UHFFFAOYSA-N 1 0 391.515 3.553 20 30 GHEDRO C[C@H](NC(=O)N1CCc2c(CC#N)cccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001227963340 1032717153 /nfs/dbraw/zinc/71/71/53/1032717153.db2.gz VLMRPCMFQQEUIW-JTSKRJEESA-N 1 0 376.504 3.512 20 30 GHEDRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000930605261 1017851543 /nfs/dbraw/zinc/85/15/43/1017851543.db2.gz FPRGSJXNPHOJQJ-UHFFFAOYSA-N 1 0 382.504 3.845 20 30 GHEDRO CCCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001204308635 1032751390 /nfs/dbraw/zinc/75/13/90/1032751390.db2.gz HHSKNGSFMGGGMU-XMMPIXPASA-N 1 0 389.499 3.976 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000778087643 1018288040 /nfs/dbraw/zinc/28/80/40/1018288040.db2.gz LEQKQMYBYWKQDT-NRFANRHFSA-N 1 0 385.471 3.930 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c2ccccc21 ZINC000562548459 1018302256 /nfs/dbraw/zinc/30/22/56/1018302256.db2.gz ZHICSNXYAYSWQN-BWAGFHJFSA-N 1 0 379.504 3.753 20 30 GHEDRO N#CCCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000932583289 1018489550 /nfs/dbraw/zinc/48/95/50/1018489550.db2.gz GYKRQXANCBTGMY-UHFFFAOYSA-N 1 0 387.487 3.754 20 30 GHEDRO COc1cccc(/C(C)=C\C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000778112218 1018580199 /nfs/dbraw/zinc/58/01/99/1018580199.db2.gz ASIDVUMIWJHADC-CYVLTUHYSA-N 1 0 389.499 3.773 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000932698753 1018590388 /nfs/dbraw/zinc/59/03/88/1018590388.db2.gz WNJBIQOCQGZZAR-XXBNENTESA-N 1 0 399.535 3.664 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000562784892 1018639401 /nfs/dbraw/zinc/63/94/01/1018639401.db2.gz JMZDCQCFNUTMOU-DBXWQHBBSA-N 1 0 390.535 3.559 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1 ZINC000932818397 1018689422 /nfs/dbraw/zinc/68/94/22/1018689422.db2.gz SUZBEQRJWIUPJT-GOSISDBHSA-N 1 0 381.476 3.876 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562847734 1018705056 /nfs/dbraw/zinc/70/50/56/1018705056.db2.gz YSLFZAHVOQJHCQ-KLIQENQMSA-N 1 0 395.906 3.505 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc(C4CCCCC4)s3)C2=O)cc1 ZINC000564394714 1019067798 /nfs/dbraw/zinc/06/77/98/1019067798.db2.gz KCKACJQQALYFQP-HXUWFJFHSA-N 1 0 394.544 3.953 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1C ZINC000564759694 1019108635 /nfs/dbraw/zinc/10/86/35/1019108635.db2.gz DVEBLLPOUVORFF-URXFXBBRSA-N 1 0 390.531 3.585 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](c3cccnc3)C1)CCCC2 ZINC000564919224 1019128790 /nfs/dbraw/zinc/12/87/90/1019128790.db2.gz ATYSIGBMIRMIMD-INIZCTEOSA-N 1 0 380.517 3.712 20 30 GHEDRO COc1ccc(CN2CC[C@@]3(CCC[N@H+](Cc4ccccc4C#N)C3)C2=O)cc1 ZINC001204367542 1032809970 /nfs/dbraw/zinc/80/99/70/1032809970.db2.gz MEPJREVZRJXMLM-XMMPIXPASA-N 1 0 389.499 3.582 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001204371067 1032813251 /nfs/dbraw/zinc/81/32/51/1032813251.db2.gz SNTMFTPKKCAJGH-PKTZIBPZSA-N 1 0 377.488 3.541 20 30 GHEDRO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC001204411283 1032836537 /nfs/dbraw/zinc/83/65/37/1032836537.db2.gz MNTWXNNYZNFQBB-FDDCHVKYSA-N 1 0 393.506 3.851 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000570862325 1019649088 /nfs/dbraw/zinc/64/90/88/1019649088.db2.gz LYFXJJOAHQENQI-KSFYIVLOSA-N 1 0 397.544 3.927 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC001204428452 1032860502 /nfs/dbraw/zinc/86/05/02/1032860502.db2.gz IGLSOFKESHUQAR-UHFFFAOYSA-N 1 0 384.398 3.806 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000574931263 1019918565 /nfs/dbraw/zinc/91/85/65/1019918565.db2.gz IIXMMKMZCNZUNZ-VWNXMTODSA-N 1 0 390.531 3.585 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000577210800 1020145093 /nfs/dbraw/zinc/14/50/93/1020145093.db2.gz BXYMMVNPUBASFV-IBGZPJMESA-N 1 0 385.870 3.801 20 30 GHEDRO COc1cc(OC)cc(Oc2cccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)c2)c1 ZINC000600741906 1020230505 /nfs/dbraw/zinc/23/05/05/1020230505.db2.gz RRBXPXJXJFUOMH-QGZVFWFLSA-N 1 0 382.460 3.640 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccccc2CC#N)[NH+]2CCCCC2)cc1 ZINC000600941770 1020281467 /nfs/dbraw/zinc/28/14/67/1020281467.db2.gz JCROBVQMBKIYHA-JOCHJYFZSA-N 1 0 377.488 3.718 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000578811537 1020364132 /nfs/dbraw/zinc/36/41/32/1020364132.db2.gz JMNJSCWEZHQYCK-LJQANCHMSA-N 1 0 388.519 3.627 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2C(C)C)CC1 ZINC000627314554 1020544341 /nfs/dbraw/zinc/54/43/41/1020544341.db2.gz GLRPFSPMZPKEOE-UHFFFAOYSA-N 1 0 377.916 3.559 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190610344 1020707278 /nfs/dbraw/zinc/70/72/78/1020707278.db2.gz VNPRQTFMJIJCNW-JTSKRJEESA-N 1 0 377.488 3.799 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)n1ccc2cc(N3CC[NH2+]CC3)ccc21 ZINC001156207048 1032923628 /nfs/dbraw/zinc/92/36/28/1032923628.db2.gz QNIXVODODZUNSJ-UHFFFAOYSA-N 1 0 387.821 3.569 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000634708908 1020956437 /nfs/dbraw/zinc/95/64/37/1020956437.db2.gz ATJMABOEWQURKZ-ZWKOTPCHSA-N 1 0 387.442 3.595 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000245540859 1021014171 /nfs/dbraw/zinc/01/41/71/1021014171.db2.gz NDGPQSRZVXXHPB-MMACOIQUSA-N 1 0 383.879 3.692 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3c[nH]c4ccc(OCC)cc34)C2)CC1 ZINC001140266627 1021286166 /nfs/dbraw/zinc/28/61/66/1021286166.db2.gz GQWXCQDVSASOBF-UHFFFAOYSA-N 1 0 383.492 3.787 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1=O ZINC001140409229 1021590382 /nfs/dbraw/zinc/59/03/82/1021590382.db2.gz MGAIJPZCOWBKPS-JOCHJYFZSA-N 1 0 396.922 3.798 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)cc1 ZINC000834893227 1021635306 /nfs/dbraw/zinc/63/53/06/1021635306.db2.gz UITAECMNBJZRQC-GOSISDBHSA-N 1 0 375.472 3.862 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c2cc(C#N)ccc21 ZINC001140440109 1021712931 /nfs/dbraw/zinc/71/29/31/1021712931.db2.gz XRMYUGZZYLPITR-LJQANCHMSA-N 1 0 394.519 3.966 20 30 GHEDRO C#CC[N@@H+](Cc1cc(C)cc(Br)c1OCC(=O)OCC)CC1CC1 ZINC001204640628 1033006869 /nfs/dbraw/zinc/00/68/69/1033006869.db2.gz PYGRMWMRWZKMFW-UHFFFAOYSA-N 1 0 394.309 3.545 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(F)cc(OC)c3)C[C@@H]2c2ccccc2)C1=O ZINC001140477461 1021774167 /nfs/dbraw/zinc/77/41/67/1021774167.db2.gz MRGUQXGEGBTHAB-VWNXMTODSA-N 1 0 394.490 3.838 20 30 GHEDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000835029341 1021786310 /nfs/dbraw/zinc/78/63/10/1021786310.db2.gz WRSMUXIKOLGIAL-XQRVVYSFSA-N 1 0 388.515 3.988 20 30 GHEDRO C#CC1CC[NH+](Cc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 ZINC001140521675 1021913165 /nfs/dbraw/zinc/91/31/65/1021913165.db2.gz VTUSCYVJRSJLJP-UHFFFAOYSA-N 1 0 383.536 3.589 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)cn1 ZINC001140542791 1021943467 /nfs/dbraw/zinc/94/34/67/1021943467.db2.gz DPXBNYQGCAPXCZ-UHFFFAOYSA-N 1 0 398.510 3.506 20 30 GHEDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000725855405 1022387081 /nfs/dbraw/zinc/38/70/81/1022387081.db2.gz SQKYDVQLVAIPFV-UHFFFAOYSA-N 1 0 381.524 3.753 20 30 GHEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H](C)C2)cc1 ZINC001204737032 1033055022 /nfs/dbraw/zinc/05/50/22/1033055022.db2.gz SYYXBECZCHBDFN-GOSISDBHSA-N 1 0 389.499 3.739 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]2C1 ZINC001140755308 1022440085 /nfs/dbraw/zinc/44/00/85/1022440085.db2.gz ZPSKOGKZGWLCSF-HUUCEWRRSA-N 1 0 377.435 3.525 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)c(Br)cc3C)C2)C1=O ZINC001140791403 1022538135 /nfs/dbraw/zinc/53/81/35/1022538135.db2.gz JWNCWGNTMUGBIQ-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4cccc(C#N)c4Cl)C3)CC2=O)cc1 ZINC001140812333 1022603399 /nfs/dbraw/zinc/60/33/99/1022603399.db2.gz UYRRTOCRQNUJDQ-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO CCc1cc(OC)ccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001204757646 1033071177 /nfs/dbraw/zinc/07/11/77/1033071177.db2.gz YQKSOTQSJLSSDC-UHFFFAOYSA-N 1 0 386.499 4.000 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000754409056 1022683107 /nfs/dbraw/zinc/68/31/07/1022683107.db2.gz QKHWCIPTLYKQHL-QGZVFWFLSA-N 1 0 382.426 3.950 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c(O)c(OC)c1 ZINC000754730303 1022862904 /nfs/dbraw/zinc/86/29/04/1022862904.db2.gz MPTPUPIOXLKSKP-UHFFFAOYSA-N 1 0 390.524 3.866 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(Br)cc1 ZINC000836519894 1023067822 /nfs/dbraw/zinc/06/78/22/1023067822.db2.gz OOAUHEMXSSFKSY-QAPCUYQASA-N 1 0 392.341 3.543 20 30 GHEDRO C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755882300 1023419310 /nfs/dbraw/zinc/41/93/10/1023419310.db2.gz SEWOXQDKPDXQMC-RXVVDRJESA-N 1 0 378.472 3.585 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000755982390 1023464991 /nfs/dbraw/zinc/46/49/91/1023464991.db2.gz HJGIOGSUXHFQTF-DHIUTWEWSA-N 1 0 391.515 3.543 20 30 GHEDRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141107159 1023515573 /nfs/dbraw/zinc/51/55/73/1023515573.db2.gz RLSVJRBYHVHGBI-NEPJUHHUSA-N 1 0 398.960 3.981 20 30 GHEDRO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141106944 1023515605 /nfs/dbraw/zinc/51/56/05/1023515605.db2.gz LGCGTFZXQAHWHU-VXGBXAGGSA-N 1 0 398.960 3.981 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2sc(N)c(C#N)c2Cl)o1 ZINC001141109789 1023522849 /nfs/dbraw/zinc/52/28/49/1023522849.db2.gz UMOGZGAKSWCOMS-LSDHHAIUSA-N 1 0 376.913 3.606 20 30 GHEDRO CC1(C)[N@H+](Cc2sc(N)c(C#N)c2Cl)CC[C@]12c1ccccc1OC2=O ZINC001141113182 1023529320 /nfs/dbraw/zinc/52/93/20/1023529320.db2.gz CZFWOLGCKKIMSS-LJQANCHMSA-N 1 0 387.892 3.697 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)cc1F)CC2 ZINC001204899489 1033154672 /nfs/dbraw/zinc/15/46/72/1033154672.db2.gz DQKWEYFUVYKZLI-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c1C ZINC001138140017 1024212552 /nfs/dbraw/zinc/21/25/52/1024212552.db2.gz WQVZZUPSFIKPHO-SFHVURJKSA-N 1 0 381.476 3.723 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000830958803 1024274954 /nfs/dbraw/zinc/27/49/54/1024274954.db2.gz XOXOIFGYDPKSRN-PDGJWGCVSA-N 1 0 383.536 3.646 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(N(C)C)c3)C[C@@H]2c2ccccc2)C1=O ZINC001141259103 1024320670 /nfs/dbraw/zinc/32/06/70/1024320670.db2.gz BRLXQHGNXZFGFQ-NOZRDPDXSA-N 1 0 389.543 3.757 20 30 GHEDRO COc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000831055839 1024333354 /nfs/dbraw/zinc/33/33/54/1024333354.db2.gz PPRIOUYXDZDBIW-HKUYNNGSSA-N 1 0 377.488 3.597 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CCO[C@H](C[NH+]4CCCC4)C3)cc2)cc1 ZINC001141297824 1024442077 /nfs/dbraw/zinc/44/20/77/1024442077.db2.gz BZHULDMRVPDEPO-HSZRJFAPSA-N 1 0 377.488 3.647 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3c(cc1Cl)OCO3)[C@H]2CC ZINC001138241032 1024447328 /nfs/dbraw/zinc/44/73/28/1024447328.db2.gz OSROHAQBUAMUNE-FPOVZHCZSA-N 1 0 390.911 3.990 20 30 GHEDRO COC(=O)c1ccc2c(C[N@@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)c[nH]c2c1 ZINC001138267311 1024506411 /nfs/dbraw/zinc/50/64/11/1024506411.db2.gz GZTIISXWAGCQSI-FQEVSTJZSA-N 1 0 389.455 3.870 20 30 GHEDRO COC(=O)c1ccc2c(C[N@@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)c[nH]c2c1 ZINC001138267312 1024506723 /nfs/dbraw/zinc/50/67/23/1024506723.db2.gz GZTIISXWAGCQSI-HXUWFJFHSA-N 1 0 389.455 3.870 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1)c1ccncc1 ZINC001138336224 1024698304 /nfs/dbraw/zinc/69/83/04/1024698304.db2.gz MOPUBGAGRXJLEG-UHFFFAOYSA-N 1 0 395.506 3.876 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC001138347379 1024710078 /nfs/dbraw/zinc/71/00/78/1024710078.db2.gz WISBIBGOGHCQPF-VWLOTQADSA-N 1 0 390.527 3.948 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)cc1OC ZINC001138348581 1024711639 /nfs/dbraw/zinc/71/16/39/1024711639.db2.gz VPETXFSODHIAAB-OAQYLSRUSA-N 1 0 393.483 3.663 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(F)cccc3OC)CC2)C1 ZINC001138382091 1024751032 /nfs/dbraw/zinc/75/10/32/1024751032.db2.gz ZSPVVZQBWUFFIL-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1C ZINC001205067788 1033233404 /nfs/dbraw/zinc/23/34/04/1033233404.db2.gz ZTOHXQXPMYAAFG-XMMPIXPASA-N 1 0 390.531 3.689 20 30 GHEDRO N#Cc1ccc(C2CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)cc1 ZINC001156775844 1033235752 /nfs/dbraw/zinc/23/57/52/1033235752.db2.gz OPMQIACZGOGSMY-UHFFFAOYSA-N 1 0 376.504 3.716 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(-n4ccnc4C)cc3)C2)C1 ZINC001138542313 1024984782 /nfs/dbraw/zinc/98/47/82/1024984782.db2.gz COUCGGAXYDJULL-HSZRJFAPSA-N 1 0 394.519 3.791 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426670 1025010265 /nfs/dbraw/zinc/01/02/65/1025010265.db2.gz LSFLFDBDFMDERO-RBUKOAKNSA-N 1 0 384.442 3.983 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)cc1 ZINC001138558015 1025019666 /nfs/dbraw/zinc/01/96/66/1025019666.db2.gz LFCYMWJOJGCPKT-UPVQGACJSA-N 1 0 380.532 3.844 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1 ZINC001138558511 1025020122 /nfs/dbraw/zinc/02/01/22/1025020122.db2.gz YLQKLNGDYKGYSG-RUZDIDTESA-N 1 0 388.511 3.632 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)cc1 ZINC001138559573 1025021704 /nfs/dbraw/zinc/02/17/04/1025021704.db2.gz WKEZJSNXAHNRLA-UHFFFAOYSA-N 1 0 375.472 3.711 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cccc(CC=C)c1O)CC2 ZINC001138626836 1025125330 /nfs/dbraw/zinc/12/53/30/1025125330.db2.gz QEZLFHOHKLLPJE-UHFFFAOYSA-N 1 0 393.531 3.988 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1O ZINC001138627968 1025129185 /nfs/dbraw/zinc/12/91/85/1025129185.db2.gz QNZYUNHLFFRENV-DEOSSOPVSA-N 1 0 391.515 3.530 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1O ZINC001138627667 1025129211 /nfs/dbraw/zinc/12/92/11/1025129211.db2.gz MLFNQFYFXGLXIZ-WPFOTENUSA-N 1 0 394.515 3.712 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)c1O ZINC001138628749 1025130092 /nfs/dbraw/zinc/13/00/92/1025130092.db2.gz ZWAWUPXQPNAPDQ-UHFFFAOYSA-N 1 0 390.487 3.697 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)c1O ZINC001138630293 1025132640 /nfs/dbraw/zinc/13/26/40/1025132640.db2.gz VLYZBSOVBFFJOH-IBGZPJMESA-N 1 0 385.529 3.904 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)c1O ZINC001138631056 1025134544 /nfs/dbraw/zinc/13/45/44/1025134544.db2.gz IWXGOQBBHMFXQU-UHFFFAOYSA-N 1 0 385.529 3.904 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001138663797 1025185782 /nfs/dbraw/zinc/18/57/82/1025185782.db2.gz CXWHXXCVTIZUMP-QUCCMNQESA-N 1 0 380.488 3.971 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001138664898 1025187476 /nfs/dbraw/zinc/18/74/76/1025187476.db2.gz ZPSOTKFKFYBLDR-OFNKIYASSA-N 1 0 380.488 3.564 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000838589720 1025223157 /nfs/dbraw/zinc/22/31/57/1025223157.db2.gz QRFWQMRLCGGLKH-GOSISDBHSA-N 1 0 395.469 3.679 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccc5c(c4)CCCO5)C3)CC2=O)c1 ZINC001138715844 1025238291 /nfs/dbraw/zinc/23/82/91/1025238291.db2.gz UNXLQKUFOLEDLW-DEOSSOPVSA-N 1 0 387.483 3.512 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC001138878195 1025510832 /nfs/dbraw/zinc/51/08/32/1025510832.db2.gz BTUHDNQUDHNPRN-IFMALSPDSA-N 1 0 385.483 3.790 20 30 GHEDRO N#Cc1c(Cl)ncnc1N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001162054495 1025568875 /nfs/dbraw/zinc/56/88/75/1025568875.db2.gz OARXUZDRBMGMLB-UHFFFAOYSA-N 1 0 395.816 3.561 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@H]1c1ccccc1 ZINC000839098427 1025599021 /nfs/dbraw/zinc/59/90/21/1025599021.db2.gz JYJLLFFNQIXQCF-RTBURBONSA-N 1 0 384.863 3.631 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnc4[nH]ccc4c3Cl)C2)C1 ZINC001138930342 1025599211 /nfs/dbraw/zinc/59/92/11/1025599211.db2.gz ZVPZBYWECPKGJD-FQEVSTJZSA-N 1 0 388.899 3.778 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 ZINC001162461291 1025754420 /nfs/dbraw/zinc/75/44/20/1025754420.db2.gz OHLYEYDCIFEPBM-OALUTQOASA-N 1 0 391.519 3.690 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001139028008 1025795354 /nfs/dbraw/zinc/79/53/54/1025795354.db2.gz IQJYWHFHIARLFB-JOCHJYFZSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001139031295 1025799797 /nfs/dbraw/zinc/79/97/97/1025799797.db2.gz UDGMPAORKMCXSA-HNNXBMFYSA-N 1 0 379.382 3.714 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001139032009 1025800970 /nfs/dbraw/zinc/80/09/70/1025800970.db2.gz HBYUTDBNNURPTN-WMZHIEFXSA-N 1 0 398.478 3.988 20 30 GHEDRO N#Cc1cnc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2sccc21 ZINC001162899237 1025958637 /nfs/dbraw/zinc/95/86/37/1025958637.db2.gz CONFJVVDZFZQSF-GOSISDBHSA-N 1 0 378.501 3.737 20 30 GHEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2nc(/C=N/O)ccc2NC(=O)C(C)(C)C)c1 ZINC001162901969 1025959585 /nfs/dbraw/zinc/95/95/85/1025959585.db2.gz DINUHYCRMUDBOE-ZXCVBSDHSA-N 1 0 379.464 3.838 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1(C)C ZINC001162904745 1025961791 /nfs/dbraw/zinc/96/17/91/1025961791.db2.gz JUFOSMNXNNOJKM-RTWAWAEBSA-N 1 0 377.488 3.596 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162956217 1025983767 /nfs/dbraw/zinc/98/37/67/1025983767.db2.gz CWJCJBGJWFOIMR-GOSISDBHSA-N 1 0 392.019 3.925 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(F)c2c1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163056107 1026028997 /nfs/dbraw/zinc/02/89/97/1026028997.db2.gz AUIZDSKQLJQRTF-CYBMUJFWSA-N 1 0 383.858 3.922 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(Cc1ccc3nsnc3c1)CC2 ZINC001139212723 1026064479 /nfs/dbraw/zinc/06/44/79/1026064479.db2.gz XUXBKLYXZZANJG-UHFFFAOYSA-N 1 0 395.532 3.559 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000839600510 1026097415 /nfs/dbraw/zinc/09/74/15/1026097415.db2.gz CROICVPIYZTJEP-SFTDATJTSA-N 1 0 385.895 3.888 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163286168 1026125046 /nfs/dbraw/zinc/12/50/46/1026125046.db2.gz ZHBWILOMVKFRMT-BZNIZROVSA-N 1 0 384.705 3.545 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@H](F)[C@@](O)(C(F)(F)F)CC3)cc2)c1 ZINC001139401678 1026273587 /nfs/dbraw/zinc/27/35/87/1026273587.db2.gz FLEALTCWFAURIO-RBUKOAKNSA-N 1 0 393.384 3.848 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139402762 1026274483 /nfs/dbraw/zinc/27/44/83/1026274483.db2.gz WTEPKAOLLWJJJF-CEQLMSFQSA-N 1 0 390.487 3.575 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)cc1F ZINC001139528355 1026386664 /nfs/dbraw/zinc/38/66/64/1026386664.db2.gz OGXSKUASDCITFU-QHCPKHFHSA-N 1 0 397.469 3.955 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1F ZINC001139528891 1026387810 /nfs/dbraw/zinc/38/78/10/1026387810.db2.gz XEXJWXSWEIRJNH-HSZRJFAPSA-N 1 0 395.453 3.851 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139529585 1026388354 /nfs/dbraw/zinc/38/83/54/1026388354.db2.gz WWXKMCVWUFLFFW-UHFFFAOYSA-N 1 0 391.487 3.545 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3ncc(C(F)(F)F)cc13)C2 ZINC001139538335 1026400124 /nfs/dbraw/zinc/40/01/24/1026400124.db2.gz OFLAKESWXZLHND-VQIMIIECSA-N 1 0 395.425 3.908 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)C1 ZINC001139550616 1026414645 /nfs/dbraw/zinc/41/46/45/1026414645.db2.gz IEHXTIUGKPAFFI-JOCHJYFZSA-N 1 0 380.492 3.687 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cc(C#N)ccc3F)CC2)C1=O ZINC001139649339 1026510742 /nfs/dbraw/zinc/51/07/42/1026510742.db2.gz ZJTQCNDKQNDGLC-FQEVSTJZSA-N 1 0 377.463 3.535 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c1 ZINC001139649185 1026510761 /nfs/dbraw/zinc/51/07/61/1026510761.db2.gz QTNBTRSRIXURQZ-GWTOYCKXSA-N 1 0 381.426 3.933 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001164435777 1026512527 /nfs/dbraw/zinc/51/25/27/1026512527.db2.gz NIUWDHGYNYEUJG-UHFFFAOYSA-N 1 0 376.838 3.648 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C2)C1 ZINC001139701669 1026546925 /nfs/dbraw/zinc/54/69/25/1026546925.db2.gz NPVVFUGDXUCTBW-QFIPXVFZSA-N 1 0 378.476 3.650 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@H]2C1 ZINC001139706085 1026551428 /nfs/dbraw/zinc/55/14/28/1026551428.db2.gz KUYNWTNYJCOTNE-AEFFLSMTSA-N 1 0 380.492 3.728 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)cc1C#N ZINC001139725505 1026568809 /nfs/dbraw/zinc/56/88/09/1026568809.db2.gz RSAPPYNAXSIOBP-IBGZPJMESA-N 1 0 381.451 3.603 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CC[NH2+][C@@H](Cc4ccccc4)C3)nc2)cc1 ZINC001164624461 1026569215 /nfs/dbraw/zinc/56/92/15/1026569215.db2.gz DDTIMKUQQWMLPD-QHCPKHFHSA-N 1 0 398.510 3.748 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C)c(Br)c3)C2)C1=O ZINC001139729066 1026572851 /nfs/dbraw/zinc/57/28/51/1026572851.db2.gz NWVATZIRUQLKFU-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO C=CCNC(=O)c1cccnc1N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001165099043 1026606952 /nfs/dbraw/zinc/60/69/52/1026606952.db2.gz XMFZTNIEDYGOTI-UHFFFAOYSA-N 1 0 392.547 3.617 20 30 GHEDRO COc1nc(N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1C#N ZINC001165138688 1026629905 /nfs/dbraw/zinc/62/99/05/1026629905.db2.gz ALJGFVZQYUIRRL-JOCHJYFZSA-N 1 0 399.498 3.638 20 30 GHEDRO Cc1nc(C#N)cnc1N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001165142130 1026632173 /nfs/dbraw/zinc/63/21/73/1026632173.db2.gz ZVAYJLBNGONQTE-HSZRJFAPSA-N 1 0 383.499 3.938 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001165162787 1026641582 /nfs/dbraw/zinc/64/15/82/1026641582.db2.gz ZROCVAGFTOCXKF-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO N#Cc1cc(F)cc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001139876570 1026692137 /nfs/dbraw/zinc/69/21/37/1026692137.db2.gz DXPSRWOOUKTAEV-UPVQGACJSA-N 1 0 397.538 3.658 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165303941 1026697355 /nfs/dbraw/zinc/69/73/55/1026697355.db2.gz ANDNFXOZRGRJKU-INIZCTEOSA-N 1 0 381.518 3.964 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165431626 1026726322 /nfs/dbraw/zinc/72/63/22/1026726322.db2.gz CSSXBGVOUYESAP-CMPLNLGQSA-N 1 0 379.266 3.926 20 30 GHEDRO C[N@H+](Cc1ccc2n1CCN(C(=O)OC(C)(C)C)C2)Cc1ccc(C#N)cc1 ZINC001139928657 1026737305 /nfs/dbraw/zinc/73/73/05/1026737305.db2.gz PNZQNCHUCTZGOP-UHFFFAOYSA-N 1 0 380.492 3.742 20 30 GHEDRO Cc1cccc(N(c2ncc(CC#N)cc2Cl)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165777341 1026834730 /nfs/dbraw/zinc/83/47/30/1026834730.db2.gz RSKZGSJLUWBAQO-GHTZIAJQSA-N 1 0 382.895 3.769 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c(F)c1 ZINC001140138038 1026912113 /nfs/dbraw/zinc/91/21/13/1026912113.db2.gz DFRSUKSTVFCJEE-XZOQPEGZSA-N 1 0 395.478 3.680 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1=O ZINC001140139015 1026913275 /nfs/dbraw/zinc/91/32/75/1026913275.db2.gz YBGMFOGIVIOHRZ-HXUWFJFHSA-N 1 0 377.463 3.535 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)C(=O)/C=C\c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001140217480 1026994613 /nfs/dbraw/zinc/99/46/13/1026994613.db2.gz MUEZKGWEDSTXLB-AVHYGJPMSA-N 1 0 388.870 3.523 20 30 GHEDRO N#Cc1cc2c(nc1N1CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C1)CCC2 ZINC001166496856 1027014952 /nfs/dbraw/zinc/01/49/52/1027014952.db2.gz XIDOHCJVCIGUGQ-UHFFFAOYSA-N 1 0 381.439 3.953 20 30 GHEDRO Cc1ccc(OCCn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC001166549649 1027024878 /nfs/dbraw/zinc/02/48/78/1027024878.db2.gz IGZHICDPFTUWBA-UHFFFAOYSA-N 1 0 399.494 3.666 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cn(C)c3ncccc13)CC2 ZINC001209745694 1027136853 /nfs/dbraw/zinc/13/68/53/1027136853.db2.gz ZPZTVMZJYSTWHN-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CCC([C@H]4CCC[NH2+]4)CC3)nc2)cc1 ZINC001166900975 1027142348 /nfs/dbraw/zinc/14/23/48/1027142348.db2.gz ZBHFAWWOOMKGMF-JOCHJYFZSA-N 1 0 376.504 3.695 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc21 ZINC001209768107 1027169662 /nfs/dbraw/zinc/16/96/62/1027169662.db2.gz SGUOJVARYKUEBO-UHFFFAOYSA-N 1 0 389.503 3.792 20 30 GHEDRO C#CCCCCCC[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC001167007844 1027192704 /nfs/dbraw/zinc/19/27/04/1027192704.db2.gz VOXNPEDLALFKGP-HXUWFJFHSA-N 1 0 376.928 3.755 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC001203358711 1027291494 /nfs/dbraw/zinc/29/14/94/1027291494.db2.gz XBLBVAZRPHMTMI-UHFFFAOYSA-N 1 0 398.934 3.863 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC001203402027 1027312121 /nfs/dbraw/zinc/31/21/21/1027312121.db2.gz CBOKBBSNOPLSAT-HXUWFJFHSA-N 1 0 398.934 3.651 20 30 GHEDRO COc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c1OC ZINC001203450849 1027346887 /nfs/dbraw/zinc/34/68/87/1027346887.db2.gz HCRSOCPCZHFZMH-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(OC)c1 ZINC001203481452 1027371748 /nfs/dbraw/zinc/37/17/48/1027371748.db2.gz CCPUXBPFGKYKTE-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO CSc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1C#N ZINC001203672448 1027522357 /nfs/dbraw/zinc/52/23/57/1027522357.db2.gz LXZJONRNEMEREA-UHFFFAOYSA-N 1 0 392.484 3.731 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001203706756 1027546099 /nfs/dbraw/zinc/54/60/99/1027546099.db2.gz OGVNSACTKUXKAQ-DEOSSOPVSA-N 1 0 375.516 3.986 20 30 GHEDRO CC(C)(C)OC(=O)NC1CC[NH+](C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001203763562 1027586086 /nfs/dbraw/zinc/58/60/86/1027586086.db2.gz BZVGZXOFFVQTQQ-UHFFFAOYSA-N 1 0 398.551 3.512 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)ccc1OC(C)=O ZINC001203835485 1027644523 /nfs/dbraw/zinc/64/45/23/1027644523.db2.gz PPLATDDQMOSKJA-HXUWFJFHSA-N 1 0 380.444 3.536 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001203903330 1027696021 /nfs/dbraw/zinc/69/60/21/1027696021.db2.gz BYEYOBBUAIQRGG-HNNXBMFYSA-N 1 0 399.516 3.954 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)cc1 ZINC001203902314 1027697012 /nfs/dbraw/zinc/69/70/12/1027697012.db2.gz ZKNJSUKWZQKHQL-DHIUTWEWSA-N 1 0 377.488 3.541 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(Br)cc1)CC2 ZINC001203907620 1027699532 /nfs/dbraw/zinc/69/95/32/1027699532.db2.gz ALCVEIBDTAZLQO-LJQANCHMSA-N 1 0 377.326 3.982 20 30 GHEDRO CC[C@H]1[N@H+](Cc2ccc(C#N)c(SC)n2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001141934806 1027700778 /nfs/dbraw/zinc/70/07/78/1027700778.db2.gz YXABRWCDZAQWBW-KNQAVFIVSA-N 1 0 398.576 3.821 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC001204057746 1027844696 /nfs/dbraw/zinc/84/46/96/1027844696.db2.gz FVLXTWHJFHULLZ-WGSAOQKQSA-N 1 0 395.507 3.609 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccnc4ccccc34)CC2)cc1 ZINC001204090674 1027867912 /nfs/dbraw/zinc/86/79/12/1027867912.db2.gz QJIOEGUZTBPOSW-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(Cc1ccc(O)c(OCC)c1)CC2 ZINC001204126867 1027900240 /nfs/dbraw/zinc/90/02/40/1027900240.db2.gz AYNIUPLVYOOTQS-UHFFFAOYSA-N 1 0 397.519 3.658 20 30 GHEDRO Cc1ccc(Cl)cc1-c1noc([C@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)n1 ZINC001211379830 1027931305 /nfs/dbraw/zinc/93/13/05/1027931305.db2.gz PBRCKVWUEQUGQW-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO CCOC(=O)C1CC[NH+](Cc2cccc(Nc3ccc(N)c(C#N)c3)c2)CC1 ZINC001213441397 1028194348 /nfs/dbraw/zinc/19/43/48/1028194348.db2.gz RPAPGDLNMSUXKX-UHFFFAOYSA-N 1 0 378.476 3.659 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(Cc1c(C)nn(C(C)(C)C)c1C)CCO2 ZINC001142171561 1028293671 /nfs/dbraw/zinc/29/36/71/1028293671.db2.gz GERYPSLTOBWPSQ-SIKLNZKXSA-N 1 0 375.557 3.829 20 30 GHEDRO CC(C)Oc1ccc(-c2ccc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c(F)c2)cc1 ZINC000841249642 1028333442 /nfs/dbraw/zinc/33/34/42/1028333442.db2.gz MHMITRMEJUCHAI-JXFKEZNVSA-N 1 0 382.439 3.513 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cc1 ZINC001142205056 1028358978 /nfs/dbraw/zinc/35/89/78/1028358978.db2.gz ULXBDXLZRKPOMS-UHFFFAOYSA-N 1 0 377.488 3.836 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000841409818 1028585954 /nfs/dbraw/zinc/58/59/54/1028585954.db2.gz OISFNODBUXYKJC-LJQANCHMSA-N 1 0 380.448 3.758 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(CCC#N)cc3)cc2)CC1 ZINC001214345669 1028684499 /nfs/dbraw/zinc/68/44/99/1028684499.db2.gz NKBVHYRMVWXJKQ-UHFFFAOYSA-N 1 0 377.492 3.929 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC001461459157 1069558859 /nfs/dbraw/zinc/55/88/59/1069558859.db2.gz CVWFVDDOVDWEJH-GOSISDBHSA-N 1 0 385.305 3.830 20 30 GHEDRO C=CCCCCCCNC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000841903272 1028995329 /nfs/dbraw/zinc/99/53/29/1028995329.db2.gz ODYUFDYAFKRLGJ-UHFFFAOYSA-N 1 0 387.572 3.902 20 30 GHEDRO C(=NOCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000842019968 1029032867 /nfs/dbraw/zinc/03/28/67/1029032867.db2.gz DJJSZXRVWCHRRQ-UHFFFAOYSA-N 1 0 375.476 3.804 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(C)c(Cl)c3Cl)C2)C1=O ZINC001276719550 1029106672 /nfs/dbraw/zinc/10/66/72/1029106672.db2.gz QOSVXTOMKFYCOM-LJQANCHMSA-N 1 0 381.303 3.829 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccnc4[nH]ccc43)C[C@@H]2c2ccccc2)C1=O ZINC001142874339 1029620550 /nfs/dbraw/zinc/62/05/50/1029620550.db2.gz SGUJXUKZBMDYHA-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC001216783156 1029933127 /nfs/dbraw/zinc/93/31/27/1029933127.db2.gz UBXNIVOJLOKHBS-IBGZPJMESA-N 1 0 399.539 3.882 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001222150745 1029979103 /nfs/dbraw/zinc/97/91/03/1029979103.db2.gz CYSGUYCJLPETAX-IFMALSPDSA-N 1 0 384.568 3.633 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1C(F)(F)F ZINC001143343243 1030052394 /nfs/dbraw/zinc/05/23/94/1030052394.db2.gz KBTNEASSYCNYBG-UONOGXRCSA-N 1 0 389.311 3.941 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C12CCC2 ZINC001149205935 1030092155 /nfs/dbraw/zinc/09/21/55/1030092155.db2.gz NGEFZLPRVKKEPX-RTWAWAEBSA-N 1 0 375.472 3.953 20 30 GHEDRO C[N@@H+]1CCCN(Cc2cccc(-c3nc(-c4cc(F)cc(C#N)c4)no3)c2)CC1 ZINC001217099539 1030161783 /nfs/dbraw/zinc/16/17/83/1030161783.db2.gz UIXRHNBJTGDQIT-UHFFFAOYSA-N 1 0 391.450 3.552 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3cccc(O[C@@H]4CC[NH2+]C4)c3)n2)c(F)c1 ZINC001217105192 1030169177 /nfs/dbraw/zinc/16/91/77/1030169177.db2.gz NUZCRCPTWAJNHJ-QGZVFWFLSA-N 1 0 381.407 3.848 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CCC[NH2+]C[C@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001217945698 1030679535 /nfs/dbraw/zinc/67/95/35/1030679535.db2.gz CUQBHJSBJKNGJB-BBSZANLASA-N 1 0 385.435 3.766 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3C[NH2+]CCC[C@@H]3F)c3ccccc23)ccc1F ZINC001217980493 1030703357 /nfs/dbraw/zinc/70/33/57/1030703357.db2.gz KXILOLYNICIQFQ-PZJWPPBQSA-N 1 0 394.425 3.700 20 30 GHEDRO C=CCc1c(O[C@@H]2CCC[NH2+]C[C@H]2C)c2cccnc2n(-c2ccccc2)c1=O ZINC001217992309 1030709679 /nfs/dbraw/zinc/70/96/79/1030709679.db2.gz AHMXSDXKDGBSGI-DYESRHJHSA-N 1 0 389.499 3.881 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001217996426 1030712725 /nfs/dbraw/zinc/71/27/25/1030712725.db2.gz RZMPFRASTUXUGX-YVOMAUEQSA-N 1 0 395.455 3.523 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001223764691 1030743665 /nfs/dbraw/zinc/74/36/65/1030743665.db2.gz PDFCGQSRJGMMAU-HTAPYJJXSA-N 1 0 378.472 3.772 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090868 1030765516 /nfs/dbraw/zinc/76/55/16/1030765516.db2.gz IYFOFJSLHVCZAH-NCHMYRSISA-N 1 0 391.515 3.841 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218122827 1030784209 /nfs/dbraw/zinc/78/42/09/1030784209.db2.gz JKQGIECZHCBYHA-QPPBQGQZSA-N 1 0 391.467 3.920 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1c(Br)ccc(OCc2ccccc2)c1F ZINC001218199296 1030821549 /nfs/dbraw/zinc/82/15/49/1030821549.db2.gz DAWIRWMDOVVCKV-CZUORRHYSA-N 1 0 391.240 3.658 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 ZINC001218204161 1030827521 /nfs/dbraw/zinc/82/75/21/1030827521.db2.gz VNKFPZSPJOOREP-DIFFPNOSSA-N 1 0 376.243 3.736 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC001218205342 1030828603 /nfs/dbraw/zinc/82/86/03/1030828603.db2.gz FHZKEYIYBARMQC-OAQYLSRUSA-N 1 0 379.435 3.534 20 30 GHEDRO Cc1cc(O[C@H]2CCC23C[NH2+]C3)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218239495 1030846059 /nfs/dbraw/zinc/84/60/59/1030846059.db2.gz GYPWOGZUORSWEB-YXMLYAQVSA-N 1 0 379.456 3.742 20 30 GHEDRO CC1(C)C[NH2+]CC[C@@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001218310842 1030886077 /nfs/dbraw/zinc/88/60/77/1030886077.db2.gz ASBZUUSQKHDQLR-LBPRGKRZSA-N 1 0 388.103 3.850 20 30 GHEDRO CC1(C)C[NH2+]CC[C@@H]1Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001218317051 1030888785 /nfs/dbraw/zinc/88/87/85/1030888785.db2.gz OLJWADPLXZLBII-NRFANRHFSA-N 1 0 390.462 3.998 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)cc2)C=C1 ZINC001218327435 1030894996 /nfs/dbraw/zinc/89/49/96/1030894996.db2.gz SSFFQBLGIVBFRU-WDJPJFJCSA-N 1 0 385.463 3.876 20 30 GHEDRO CCOC(=O)[C@@H](O[C@@H]1CCN(Cc2ccccc2C#N)C1)c1ccccc1F ZINC001224153721 1030904823 /nfs/dbraw/zinc/90/48/23/1030904823.db2.gz IPOUSSZPWXHUQR-NQIIRXRSSA-N 1 0 382.435 3.593 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001224167946 1030908430 /nfs/dbraw/zinc/90/84/30/1030908430.db2.gz DBKJIZMMJVJQKL-WTIAFYNJSA-N 1 0 390.483 3.772 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[C@@H](C)[NH2+]C3)c(C#N)c2)nc1C ZINC001218399612 1030919944 /nfs/dbraw/zinc/91/99/44/1030919944.db2.gz BJUJADBVDMLBFI-MLGOLLRUSA-N 1 0 385.489 3.686 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001218403290 1030921898 /nfs/dbraw/zinc/92/18/98/1030921898.db2.gz XIWPMKXBZFEWGR-VQIMIIECSA-N 1 0 379.456 3.918 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)c2)cc1OC ZINC001218445447 1030939601 /nfs/dbraw/zinc/93/96/01/1030939601.db2.gz VSCHBFJCWZLGTR-YMMDGBESSA-N 1 0 379.456 3.729 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc2nc(NCc3ccc(F)cc3)ccc2[nH]1 ZINC001218454862 1030943485 /nfs/dbraw/zinc/94/34/85/1030943485.db2.gz DSLKFCPZSCZICJ-SJLPKXTDSA-N 1 0 381.455 3.785 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)cc(C)c1O ZINC001276965381 1030973274 /nfs/dbraw/zinc/97/32/74/1030973274.db2.gz JQCJRAICLCDNNE-IAGOWNOFSA-N 1 0 393.325 3.605 20 30 GHEDRO C=C[C@@H]1C[C@]1([NH3+])C(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OCC ZINC001218548671 1030982768 /nfs/dbraw/zinc/98/27/68/1030982768.db2.gz QFFHRMDYOACGIV-QVKFZJNVSA-N 1 0 384.501 3.996 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224389773 1030983222 /nfs/dbraw/zinc/98/32/22/1030983222.db2.gz UIFMUQMZUCIZMP-LADGPHEKSA-N 1 0 375.516 3.962 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)CC1(c2ccccc2F)CC[NH2+]CC1 ZINC001218559084 1030986971 /nfs/dbraw/zinc/98/69/71/1030986971.db2.gz OJRAFMCJNUAXHM-UHFFFAOYSA-N 1 0 382.483 3.904 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(cc(C)c(=O)n2C)c1)C(C)C ZINC001218640302 1031014726 /nfs/dbraw/zinc/01/47/26/1031014726.db2.gz QWFSDAWNPLLCQF-OAQYLSRUSA-N 1 0 396.535 3.667 20 30 GHEDRO CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21 ZINC001218705994 1031042234 /nfs/dbraw/zinc/04/22/34/1031042234.db2.gz LMMCDVKFIQWKJB-FQELHTAISA-N 1 0 399.498 3.876 20 30 GHEDRO Cc1cccc(C[C@]2(C(=O)Nc3ccc4nc(C#N)sc4c3)CCC[NH2+]2)c1 ZINC001218910645 1031147765 /nfs/dbraw/zinc/14/77/65/1031147765.db2.gz NMVUSJCULOWOBL-NRFANRHFSA-N 1 0 376.485 3.780 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc2c(Br)nn(C)c2c1 ZINC001218968108 1031185947 /nfs/dbraw/zinc/18/59/47/1031185947.db2.gz XQXIEKYGCUPWDY-AWEZNQCLSA-N 1 0 379.302 3.738 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC001219366872 1031380957 /nfs/dbraw/zinc/38/09/57/1031380957.db2.gz OHAWXTYNNPHCGE-HZPDHXFCSA-N 1 0 379.464 3.610 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001219368031 1031382444 /nfs/dbraw/zinc/38/24/44/1031382444.db2.gz GXGNFNDLGCMWDA-LJQANCHMSA-N 1 0 393.491 3.858 20 30 GHEDRO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001152944174 1031404988 /nfs/dbraw/zinc/40/49/88/1031404988.db2.gz UBTMZDDQAJQYRG-FQEVSTJZSA-N 1 0 399.535 3.918 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(Br)cc(Br)c1 ZINC001225581374 1031490460 /nfs/dbraw/zinc/49/04/60/1031490460.db2.gz AYQSQJSVBVDVFF-GFCCVEGCSA-N 1 0 377.100 3.579 20 30 GHEDRO COc1ccc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1C#N ZINC001219840702 1031650068 /nfs/dbraw/zinc/65/00/68/1031650068.db2.gz JNZOATCTBDKYHY-FQEVSTJZSA-N 1 0 396.491 3.778 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)NC(C)(C)c2ccc(C#N)cc2)cc1 ZINC001219989479 1031731458 /nfs/dbraw/zinc/73/14/58/1031731458.db2.gz CBPPAJTWLCEAEG-FQEVSTJZSA-N 1 0 379.504 3.657 20 30 GHEDRO O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1ccc2c(c1)CC[NH2+]CC2 ZINC001220181619 1031821955 /nfs/dbraw/zinc/82/19/55/1031821955.db2.gz WVIVOXOAVKOANA-UHFFFAOYSA-N 1 0 394.474 3.869 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC001226395540 1031945739 /nfs/dbraw/zinc/94/57/39/1031945739.db2.gz AUBSPEOHGGLNNA-FQEVSTJZSA-N 1 0 393.531 3.889 20 30 GHEDRO Cc1cc([C@H](C)NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)ccc1Cl ZINC001220557370 1031989403 /nfs/dbraw/zinc/98/94/03/1031989403.db2.gz HJUKTVHZUCVSNP-MRUHUIDDSA-N 1 0 381.907 3.918 20 30 GHEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(O)ccc1C(=O)/C=C/c1ccc(O)cc1)C2 ZINC001229265251 1033377494 /nfs/dbraw/zinc/37/74/94/1033377494.db2.gz JSWSEXRRLAHQKB-XJONFWCFSA-N 1 0 379.456 3.998 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1nc2c(cc1C#N)CCCC2(C)C ZINC001157173173 1033447925 /nfs/dbraw/zinc/44/79/25/1033447925.db2.gz LXTTVYIHTFCTAI-KRWDZBQOSA-N 1 0 386.540 3.818 20 30 GHEDRO Cc1ccc(C#N)c(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001157667432 1033711803 /nfs/dbraw/zinc/71/18/03/1033711803.db2.gz MXOINOGBWVPQNK-UHFFFAOYSA-N 1 0 390.531 3.912 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]2C1 ZINC001157698350 1033729358 /nfs/dbraw/zinc/72/93/58/1033729358.db2.gz FFWZSYJGUSAHPQ-HZPDHXFCSA-N 1 0 383.883 3.572 20 30 GHEDRO CCC[NH+]1C[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@@H]2C1 ZINC001157700794 1033730475 /nfs/dbraw/zinc/73/04/75/1033730475.db2.gz WQHFZHPUKXDSBL-RYUDHWBXSA-N 1 0 376.838 3.816 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C[NH+](CC)CC ZINC001206195078 1033759028 /nfs/dbraw/zinc/75/90/28/1033759028.db2.gz WCGPIJLNIPZFIJ-ZDUSSCGKSA-N 1 0 384.318 3.866 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC001229990403 1033837780 /nfs/dbraw/zinc/83/77/80/1033837780.db2.gz UYYLIAMBTIYTFC-OAQYLSRUSA-N 1 0 387.568 3.706 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)N3CC[NH2+]C[C@@H]3c3ccccc3)c2)c1 ZINC001157968156 1033841000 /nfs/dbraw/zinc/84/10/00/1033841000.db2.gz CTCKGWPSCKABEB-HSZRJFAPSA-N 1 0 383.451 3.718 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(CC#N)cc1 ZINC001230384498 1034025225 /nfs/dbraw/zinc/02/52/25/1034025225.db2.gz KCLNQRYMSZHKGR-HSZRJFAPSA-N 1 0 390.531 3.805 20 30 GHEDRO COc1cc(N(c2nc(Cl)cc(Cl)c2C#N)C2CC[NH2+]CC2)ccn1 ZINC001158333756 1034028003 /nfs/dbraw/zinc/02/80/03/1034028003.db2.gz MTZHFCCZKGKSIV-UHFFFAOYSA-N 1 0 378.263 3.554 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N ZINC001207104853 1034094630 /nfs/dbraw/zinc/09/46/30/1034094630.db2.gz ZITROGBSQFXZIW-FQEVSTJZSA-N 1 0 386.540 3.898 20 30 GHEDRO C=CCN(CCN1CCC2(CCC[N@@H+]2CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001207202456 1034170768 /nfs/dbraw/zinc/17/07/68/1034170768.db2.gz UMYXAQBOCMPTRZ-UHFFFAOYSA-N 1 0 377.573 3.750 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCCc2ccc(C[NH3+])nc21 ZINC001158656465 1034218077 /nfs/dbraw/zinc/21/80/77/1034218077.db2.gz ZUKASZUWHPDWTN-UHFFFAOYSA-N 1 0 392.850 3.732 20 30 GHEDRO N#Cc1cc(Cl)cnc1-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001158669829 1034223439 /nfs/dbraw/zinc/22/34/39/1034223439.db2.gz GMDJCYGSLGRPHB-UHFFFAOYSA-N 1 0 380.757 3.950 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(-n2cc(CC[NH3+])c3ncccc32)c1C#N ZINC001158749153 1034257808 /nfs/dbraw/zinc/25/78/08/1034257808.db2.gz ZOVAGSSZTGTHGB-UHFFFAOYSA-N 1 0 386.484 3.577 20 30 GHEDRO C[C@H](c1ccccc1)N(c1ccc(N2CC[NH2+]CC2)cn1)C1=CC(=O)CCC1 ZINC001158796629 1034274168 /nfs/dbraw/zinc/27/41/68/1034274168.db2.gz DJLILUSWXKJDAZ-GOSISDBHSA-N 1 0 376.504 3.696 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001207377365 1034320763 /nfs/dbraw/zinc/32/07/63/1034320763.db2.gz IJVZFZKWHUMSKQ-UYAOXDASSA-N 1 0 385.508 3.801 20 30 GHEDRO COC(=O)C[C@H](C)c1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001231012933 1034342283 /nfs/dbraw/zinc/34/22/83/1034342283.db2.gz RUPYQWOULIPLFV-HTAPYJJXSA-N 1 0 378.472 3.878 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1F ZINC001207631939 1034498732 /nfs/dbraw/zinc/49/87/32/1034498732.db2.gz VBRDTYGUNOPGBC-LPHOPBHVSA-N 1 0 382.483 3.856 20 30 GHEDRO COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001231278490 1034500937 /nfs/dbraw/zinc/50/09/37/1034500937.db2.gz AOVUXIMBYNAQIM-RRFGBZISSA-O 1 0 383.468 3.644 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(Br)c1C)CC2 ZINC001277509693 1034541424 /nfs/dbraw/zinc/54/14/24/1034541424.db2.gz HOSDKWCDISIVCA-MRXNPFEDSA-N 1 0 377.326 3.662 20 30 GHEDRO CCOC(=O)c1c(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)onc1-c1ccccc1 ZINC001159372303 1034568953 /nfs/dbraw/zinc/56/89/53/1034568953.db2.gz UALVDJVZFLQGAI-UHFFFAOYSA-N 1 0 388.427 3.820 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)[C@H]2C1 ZINC001207780780 1034573534 /nfs/dbraw/zinc/57/35/34/1034573534.db2.gz IQKAZSMTXJDVGP-NCYKPQTJSA-N 1 0 397.519 3.514 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(OC)c(C#N)cc1F)Cc1ccccc1 ZINC001207876798 1034635692 /nfs/dbraw/zinc/63/56/92/1034635692.db2.gz IRZSGJBGBXZYPX-SFHVURJKSA-N 1 0 398.482 3.781 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CCOC[C@@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001207898722 1034642553 /nfs/dbraw/zinc/64/25/53/1034642553.db2.gz DHESQYLIYQKJEH-QHCPKHFHSA-N 1 0 394.600 3.879 20 30 GHEDRO Cc1ccc(C#N)c(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)n1 ZINC001159580120 1034678150 /nfs/dbraw/zinc/67/81/50/1034678150.db2.gz UBLOPLZQWIQHOD-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO N#Cc1ccc2ccnc(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)c2c1 ZINC001159625975 1034693157 /nfs/dbraw/zinc/69/31/57/1034693157.db2.gz RHLPXMMCKHBJEG-HZCBDIJESA-N 1 0 389.547 3.857 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)ncc1C#N ZINC001208085272 1034729535 /nfs/dbraw/zinc/72/95/35/1034729535.db2.gz FXTWUSHXEAXHMM-INIZCTEOSA-N 1 0 391.397 3.705 20 30 GHEDRO N#Cc1cc(Nc2cccnc2OCc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC001159743023 1034731566 /nfs/dbraw/zinc/73/15/66/1034731566.db2.gz REEUPQIGKXHQMI-UHFFFAOYSA-N 1 0 385.471 3.685 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC001159791068 1034742407 /nfs/dbraw/zinc/74/24/07/1034742407.db2.gz INBXEZHWTPYVJV-UHFFFAOYSA-N 1 0 390.505 3.664 20 30 GHEDRO COc1cc(Br)c(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1F ZINC001159826167 1034754788 /nfs/dbraw/zinc/75/47/88/1034754788.db2.gz OFUOMJLDDCHALR-UHFFFAOYSA-N 1 0 376.229 3.899 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CCN(C(=O)c3cccs3)C2)CC1 ZINC001231618842 1034776758 /nfs/dbraw/zinc/77/67/58/1034776758.db2.gz LLTGBMRCBBPPJH-UHFFFAOYSA-N 1 0 395.528 3.757 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)c1 ZINC001231622332 1034780756 /nfs/dbraw/zinc/78/07/56/1034780756.db2.gz WRIJKYVJYQHMOC-DEOSSOPVSA-N 1 0 391.515 3.804 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001231622784 1034781431 /nfs/dbraw/zinc/78/14/31/1034781431.db2.gz IFRNFYBAVMDSQI-XMMPIXPASA-N 1 0 391.515 3.804 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)c1 ZINC001231622972 1034782782 /nfs/dbraw/zinc/78/27/82/1034782782.db2.gz OIDFRXQAFOJWKY-QFIPXVFZSA-N 1 0 397.544 3.641 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2C[C@@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001231623204 1034783508 /nfs/dbraw/zinc/78/35/08/1034783508.db2.gz XJMADFBTVDUFOD-SMIHKQSGSA-N 1 0 393.531 3.510 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C(C)C)cc1Br ZINC001276563712 1034784221 /nfs/dbraw/zinc/78/42/21/1034784221.db2.gz KWUPQCUNSASFDR-RTBURBONSA-N 1 0 389.337 3.771 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c1 ZINC001231655788 1034813616 /nfs/dbraw/zinc/81/36/16/1034813616.db2.gz UILAHUYFBADTAP-QFIPXVFZSA-N 1 0 376.500 3.761 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)c1 ZINC001231659884 1034816428 /nfs/dbraw/zinc/81/64/28/1034816428.db2.gz VWIZRELDFHLLQN-GMAHTHKFSA-N 1 0 380.463 3.652 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(Cl)cc(OC)cc1OC)C2 ZINC001231698240 1034847108 /nfs/dbraw/zinc/84/71/08/1034847108.db2.gz PUFOZANLCLCIBH-NHCUHLMSSA-N 1 0 395.927 3.931 20 30 GHEDRO CSc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc(SC)n1 ZINC001160108019 1034863773 /nfs/dbraw/zinc/86/37/73/1034863773.db2.gz CFLBJNWWGZUVRX-UHFFFAOYSA-N 1 0 385.562 3.891 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001208341729 1034865129 /nfs/dbraw/zinc/86/51/29/1034865129.db2.gz VYJKLELVYYLZKT-KRWDZBQOSA-N 1 0 397.544 3.577 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC001231818419 1034927081 /nfs/dbraw/zinc/92/70/81/1034927081.db2.gz UGFWEMVNPXIKOQ-GOTSBHOMSA-N 1 0 383.536 3.610 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)cc1 ZINC001231818043 1034927392 /nfs/dbraw/zinc/92/73/92/1034927392.db2.gz GVHIGFDTDXKBPQ-JOCHJYFZSA-N 1 0 386.540 3.916 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001231821935 1034929320 /nfs/dbraw/zinc/92/93/20/1034929320.db2.gz OTXOTVLABSMOQF-XLIONFOSSA-N 1 0 386.540 3.772 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1)C2 ZINC001231821056 1034929509 /nfs/dbraw/zinc/92/95/09/1034929509.db2.gz OOVDZOMHRRJVSK-LJQANCHMSA-N 1 0 379.504 3.825 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(F)cc1Br)CC2 ZINC001277597040 1035030137 /nfs/dbraw/zinc/03/01/37/1035030137.db2.gz VTXDDHYXDLXKGB-MRXNPFEDSA-N 1 0 395.316 3.801 20 30 GHEDRO Cc1ccc2[nH]cc(CN(C)C(=O)[C@@H]3C[C@@H](Cc4ccccc4C#N)C[NH2+]3)c2c1 ZINC001160725645 1035045657 /nfs/dbraw/zinc/04/56/57/1035045657.db2.gz FHUYKTUQTFNNRB-HXOBKFHXSA-N 1 0 386.499 3.527 20 30 GHEDRO CN(Cc1ccccc1Oc1ccccc1)C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001160746413 1035053597 /nfs/dbraw/zinc/05/35/97/1035053597.db2.gz IAOYTBZIADFXSG-QFIPXVFZSA-N 1 0 385.467 3.879 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)c1 ZINC001208849604 1035057112 /nfs/dbraw/zinc/05/71/12/1035057112.db2.gz JXQSRQXKYOWKOR-BJKOFHAPSA-N 1 0 398.547 3.558 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(CCCc4ccc(C#N)cc4)CC[N@@H+]3C2)cc1 ZINC001208857430 1035061712 /nfs/dbraw/zinc/06/17/12/1035061712.db2.gz DYZPWSJNVCPKND-UPVQGACJSA-N 1 0 375.516 3.637 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2cn(CC3CC3)nc21 ZINC001208858598 1035062945 /nfs/dbraw/zinc/06/29/45/1035062945.db2.gz ISYDKFQFKMGNDE-JOCHJYFZSA-N 1 0 378.520 3.733 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1CCN(c3ccccc3)CC1)CCO2 ZINC001208907418 1035083506 /nfs/dbraw/zinc/08/35/06/1035083506.db2.gz FIYXFQMFFVNWPN-LADGPHEKSA-N 1 0 384.564 3.977 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1 ZINC001208926091 1035091506 /nfs/dbraw/zinc/09/15/06/1035091506.db2.gz AMAHPZDGCUUIRJ-RPWUZVMVSA-N 1 0 391.515 3.584 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208952414 1035125367 /nfs/dbraw/zinc/12/53/67/1035125367.db2.gz SBZILGPEOIFVRX-WXFUMESZSA-N 1 0 384.564 3.582 20 30 GHEDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccn1 ZINC001232216209 1035166028 /nfs/dbraw/zinc/16/60/28/1035166028.db2.gz SAHQVNBFEVVHJY-DEOSSOPVSA-N 1 0 388.515 3.880 20 30 GHEDRO Cc1ccc(CN(C(=O)C#Cc2ccc(F)cc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161396005 1035221992 /nfs/dbraw/zinc/22/19/92/1035221992.db2.gz KEEJVPQMTBXIJK-MEMLXQNLSA-N 1 0 382.454 3.923 20 30 GHEDRO N#Cc1ncc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)nc1C#N ZINC001161460554 1035235521 /nfs/dbraw/zinc/23/55/21/1035235521.db2.gz GGAJNTSWYAOLOE-SFTDATJTSA-N 1 0 394.482 3.690 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(NC2(Cc3ccccn3)CC[NH2+]CC2)c1C#N ZINC001161491839 1035240514 /nfs/dbraw/zinc/24/05/14/1035240514.db2.gz RRQQTBZVLSDWHZ-UHFFFAOYSA-N 1 0 376.291 3.740 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001209357933 1035251715 /nfs/dbraw/zinc/25/17/15/1035251715.db2.gz RMOGWYSENWQABP-SIKLNZKXSA-N 1 0 396.572 3.898 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209373404 1035258827 /nfs/dbraw/zinc/25/88/27/1035258827.db2.gz MGDKKYFNVYZNAV-WIYYLYMNSA-N 1 0 382.545 3.508 20 30 GHEDRO C[C@@H]1CC(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[C@@H](C)O1 ZINC001209389507 1035265894 /nfs/dbraw/zinc/26/58/94/1035265894.db2.gz UQTDPWVSEBXLIB-YOSAUDMPSA-N 1 0 397.563 3.681 20 30 GHEDRO C=CCCCCCC[N@@H+]1C[C@@H]2C[C@H](CC(=O)NCc3cccs3)O[C@@H]2C1 ZINC001209437632 1035274334 /nfs/dbraw/zinc/27/43/34/1035274334.db2.gz PECFPDLTXMZHPU-NLWGTHIKSA-N 1 0 376.566 3.980 20 30 GHEDRO CC(C)[C@H](CO)Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001161737835 1035292579 /nfs/dbraw/zinc/29/25/79/1035292579.db2.gz XONRLMNNBSQSSL-NRFANRHFSA-N 1 0 378.520 3.568 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161885284 1035321446 /nfs/dbraw/zinc/32/14/46/1035321446.db2.gz MFMDYCDGBCYIRJ-HNNXBMFYSA-N 1 0 376.838 3.910 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001209596258 1035323084 /nfs/dbraw/zinc/32/30/84/1035323084.db2.gz PBWCGJQZXHVKHH-QUCCMNQESA-N 1 0 375.900 3.790 20 30 GHEDRO CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1C ZINC001209610784 1035329641 /nfs/dbraw/zinc/32/96/41/1035329641.db2.gz LEVGDVXJASRWGI-LJQANCHMSA-N 1 0 381.476 3.723 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cccc(F)c3C(F)(F)F)no2)cc1 ZINC001248156648 1035583041 /nfs/dbraw/zinc/58/30/41/1035583041.db2.gz JQOAMZPORGUIIQ-ZDUSSCGKSA-N 1 0 390.340 3.879 20 30 GHEDRO CC[NH+](CC)Cc1ccc(-c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC)cc1 ZINC001241576423 1035628326 /nfs/dbraw/zinc/62/83/26/1035628326.db2.gz VCMVCGZEFGVQDB-GOSISDBHSA-N 1 0 388.471 3.919 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(-n3cc[nH+]c3N)cc2)cc1 ZINC001242180251 1035853469 /nfs/dbraw/zinc/85/34/69/1035853469.db2.gz LTGIMUDHBHAMLS-UHFFFAOYSA-N 1 0 385.489 3.873 20 30 GHEDRO COc1ccc(COc2cc(C#N)cc(-c3cccnc3OC3C[NH2+]C3)c2)cc1 ZINC001242771838 1035957241 /nfs/dbraw/zinc/95/72/41/1035957241.db2.gz NOBRRGDDYPFVTE-UHFFFAOYSA-N 1 0 387.439 3.558 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001248750474 1036107862 /nfs/dbraw/zinc/10/78/62/1036107862.db2.gz KUZBSDRTBQWZER-XMMPIXPASA-N 1 0 388.515 3.530 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1-c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC001243334541 1036116957 /nfs/dbraw/zinc/11/69/57/1036116957.db2.gz AWSGZFOTWZFLJP-SFHVURJKSA-N 1 0 380.492 3.934 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC)c4ccc(OC)cc34)C2)C1=O ZINC001248826366 1036187554 /nfs/dbraw/zinc/18/75/54/1036187554.db2.gz NFOZFPYNUZWDJH-XMMPIXPASA-N 1 0 394.515 3.858 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC(Sc4ccccc4)C3)C2=O)cc1 ZINC001462084405 1069986387 /nfs/dbraw/zinc/98/63/87/1069986387.db2.gz FVLSDWCJCCBWCE-FBPXKMNZSA-N 1 0 377.513 3.967 20 30 GHEDRO C[NH+]1CCC(CCCNC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001245800285 1037004414 /nfs/dbraw/zinc/00/44/14/1037004414.db2.gz PUPWNEBQUBOYPG-UHFFFAOYSA-N 1 0 384.471 3.985 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN[C@H]1C[NH2+][C@H](C)C1 ZINC001246008145 1037126843 /nfs/dbraw/zinc/12/68/43/1037126843.db2.gz BWUMIMWIMWYRRR-VSKRKVRLSA-N 1 0 386.621 3.641 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CCC[C@H]2[NH2+]C[C@H]21 ZINC001246038053 1037154808 /nfs/dbraw/zinc/15/48/08/1037154808.db2.gz UXLAWKLWOBVESB-DNVJHFABSA-N 1 0 398.632 3.738 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246275169 1037270617 /nfs/dbraw/zinc/27/06/17/1037270617.db2.gz YAOJXWBFQBWLBU-YSZBQJHXSA-N 1 0 391.515 3.538 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])N[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001246303840 1037287141 /nfs/dbraw/zinc/28/71/41/1037287141.db2.gz JCYVSTNAXVDQAH-LBPRGKRZSA-N 1 0 380.366 3.708 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@@H]1CC[NH2+][C@H](CCCC)C1)CC2 ZINC001246525804 1037456681 /nfs/dbraw/zinc/45/66/81/1037456681.db2.gz LHQPCKKCKMTCSE-WOJBJXKFSA-N 1 0 377.573 3.798 20 30 GHEDRO CCOC(=O)[C@@H]1C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)CCN1 ZINC001246891779 1037705791 /nfs/dbraw/zinc/70/57/91/1037705791.db2.gz PJPQBUKYHLYTRU-NMNUPHIUSA-N 1 0 391.515 3.805 20 30 GHEDRO CCc1ccccc1Oc1ccc(C[NH2+]CCn2cnc(C#N)n2)c(Cl)c1 ZINC001462213945 1070088547 /nfs/dbraw/zinc/08/85/47/1070088547.db2.gz DZXKLDDMFPEMJI-UHFFFAOYSA-N 1 0 381.867 3.948 20 30 GHEDRO COCCO[C@@H]1CCC2(CC[NH+](Cc3cc(C#N)ccn3)CC2)c2ccccc21 ZINC001232477203 1038260359 /nfs/dbraw/zinc/26/03/59/1038260359.db2.gz ANDHYESAWGQEAN-HSZRJFAPSA-N 1 0 391.515 3.985 20 30 GHEDRO C=CCCNC(=S)NCC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001247679413 1038314921 /nfs/dbraw/zinc/31/49/21/1038314921.db2.gz KAIABVYBLDRXLC-UHFFFAOYSA-N 1 0 396.398 3.701 20 30 GHEDRO C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(Br)c(CC)s1 ZINC001277680423 1038320291 /nfs/dbraw/zinc/32/02/91/1038320291.db2.gz HWJDINRABSXGFE-GOSISDBHSA-N 1 0 395.366 3.663 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@@H]4CCSC45C[NH2+]C5)n3)cc2)cc1 ZINC001247865234 1038435855 /nfs/dbraw/zinc/43/58/55/1038435855.db2.gz YGPOHIZQBATUIY-SFHVURJKSA-N 1 0 390.468 3.963 20 30 GHEDRO N#Cc1ccc(C[NH+](Cc2c[nH]c3ncncc23)Cc2ccc(C#N)cc2)cc1 ZINC001232657933 1038448724 /nfs/dbraw/zinc/44/87/24/1038448724.db2.gz HNJULHRSLOXEDI-UHFFFAOYSA-N 1 0 378.439 3.855 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CCN(Cc3ccc(Br)[nH]3)CC2)C1 ZINC001232684865 1038482088 /nfs/dbraw/zinc/48/20/88/1038482088.db2.gz ZWEMLWQGVDNMFC-UHFFFAOYSA-N 1 0 396.329 3.778 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3C[C@@]4(CO3)CCC[NH2+]C4)n2)cc1Cl ZINC001247929177 1038503962 /nfs/dbraw/zinc/50/39/62/1038503962.db2.gz IINFDLZBJKVGFJ-YOEHRIQHSA-N 1 0 379.247 3.746 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC001232723762 1038518706 /nfs/dbraw/zinc/51/87/06/1038518706.db2.gz VERLIGVFGLTDAD-SFHVURJKSA-N 1 0 389.496 3.910 20 30 GHEDRO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843892 1038594673 /nfs/dbraw/zinc/59/46/73/1038594673.db2.gz ZVWZLUVUHZBRJX-FQEVSTJZSA-N 1 0 379.529 3.990 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)s1 ZINC001232843713 1038594821 /nfs/dbraw/zinc/59/48/21/1038594821.db2.gz VYWMDBFQFNJGRM-QUCCMNQESA-N 1 0 387.480 3.604 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001232890489 1038675311 /nfs/dbraw/zinc/67/53/11/1038675311.db2.gz GETUQFPEEWSRHQ-RBBKRZOGSA-N 1 0 399.441 3.682 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC001232890717 1038679955 /nfs/dbraw/zinc/67/99/55/1038679955.db2.gz LVYQRPCKELAVMF-OFAXGOBFSA-N 1 0 378.495 3.825 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cnc(OC)c3ccccc13)C2 ZINC001232949675 1038727097 /nfs/dbraw/zinc/72/70/97/1038727097.db2.gz XWWBGLXUURZUCA-QHCPKHFHSA-N 1 0 379.504 3.777 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c(C#N)c1 ZINC001232965876 1038739931 /nfs/dbraw/zinc/73/99/31/1038739931.db2.gz IABXSQYINYIZTQ-RPWUZVMVSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccc(C)cc2C#N)CC3)cs1 ZINC001232966052 1038740414 /nfs/dbraw/zinc/74/04/14/1038740414.db2.gz KTFLPVKPQXIRHD-NRFANRHFSA-N 1 0 397.544 3.972 20 30 GHEDRO Cc1nc(CN2CC[C@@]3(CCC[N@H+](Cc4ccc(C#N)cc4C)C3)C2=O)cs1 ZINC001233081856 1038854514 /nfs/dbraw/zinc/85/45/14/1038854514.db2.gz RQDMILKIVWIOLH-JOCHJYFZSA-N 1 0 394.544 3.646 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001252125363 1038871967 /nfs/dbraw/zinc/87/19/67/1038871967.db2.gz CEBBOQQDBFEHMC-YPAWHYETSA-N 1 0 387.568 3.758 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001252129142 1038881534 /nfs/dbraw/zinc/88/15/34/1038881534.db2.gz XGDBEBOMBOOOSP-DNVJHFABSA-N 1 0 390.568 3.658 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1C#N ZINC001233102665 1038884546 /nfs/dbraw/zinc/88/45/46/1038884546.db2.gz IZKKWOLJNBEYAJ-TZIWHRDSSA-N 1 0 392.522 3.717 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCN(CC(F)(F)F)C2=O)CC1 ZINC001252132463 1038884971 /nfs/dbraw/zinc/88/49/71/1038884971.db2.gz HIWOZWAKWMLXIV-QGZVFWFLSA-N 1 0 392.506 3.975 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(c2cccc(OC)n2)CCOCC1 ZINC001252139586 1038890386 /nfs/dbraw/zinc/89/03/86/1038890386.db2.gz POXQUZCORTXKKQ-IBGZPJMESA-N 1 0 378.557 3.840 20 30 GHEDRO CCC[N@H+](C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](C)CC ZINC001252311937 1038939828 /nfs/dbraw/zinc/93/98/28/1038939828.db2.gz BMUHLLASGUXGLW-UGSOOPFHSA-N 1 0 385.430 3.777 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252321179 1038941488 /nfs/dbraw/zinc/94/14/88/1038941488.db2.gz ITHXMLSZBGVWCV-MAUKXSAKSA-N 1 0 383.414 3.531 20 30 GHEDRO C[C@@H]1CCCCC[N@@H+]1C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252319531 1038941630 /nfs/dbraw/zinc/94/16/30/1038941630.db2.gz IBQRYGXPQPHFML-FZKQIMNGSA-N 1 0 383.414 3.531 20 30 GHEDRO C[C@@](O)(C[NH2+][C@H]1CCCCC1(C)C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252338809 1038946324 /nfs/dbraw/zinc/94/63/24/1038946324.db2.gz PFVJBZXWWGOSSZ-QFBILLFUSA-N 1 0 397.441 3.825 20 30 GHEDRO C[C@@H]([NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 ZINC001252339921 1038946382 /nfs/dbraw/zinc/94/63/82/1038946382.db2.gz LCOZDQBVFIJGFJ-BFUOFWGJSA-N 1 0 397.441 3.825 20 30 GHEDRO C[C@](O)(C[NH2+][C@H]1CC12CCCCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252343653 1038948381 /nfs/dbraw/zinc/94/83/81/1038948381.db2.gz VUANXXMPXZVZBZ-WMZOPIPTSA-N 1 0 395.425 3.579 20 30 GHEDRO Cc1cc(F)cc(Cl)c1C[NH+]1CCC2(C[C@H]2C(=O)NCCCC#N)CC1 ZINC001277778594 1038975667 /nfs/dbraw/zinc/97/56/67/1038975667.db2.gz PHBOAYRPMLIORG-KRWDZBQOSA-N 1 0 377.891 3.810 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(O)c(OCC3CC3)c1)C2 ZINC001233226553 1038985881 /nfs/dbraw/zinc/98/58/81/1038985881.db2.gz OLAVPHOCPKWXNI-DHIUTWEWSA-N 1 0 387.520 3.755 20 30 GHEDRO C=CCOC[C@H](O)C[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1 ZINC001252465255 1038998403 /nfs/dbraw/zinc/99/84/03/1038998403.db2.gz DOWRKFGAWRTVBT-JOCHJYFZSA-N 1 0 381.516 3.821 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1=O ZINC001233241493 1038998828 /nfs/dbraw/zinc/99/88/28/1038998828.db2.gz VKTOOFXPEUWLPK-NRFANRHFSA-N 1 0 385.508 3.950 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001252548126 1039028030 /nfs/dbraw/zinc/02/80/30/1039028030.db2.gz AOMRZQVSRLAGEN-FDDCHVKYSA-N 1 0 382.548 3.503 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC001252597436 1039041039 /nfs/dbraw/zinc/04/10/39/1039041039.db2.gz ZJKGEORMQQUMSA-UYAOXDASSA-N 1 0 382.548 3.503 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]CC1(Cc2ccccc2Br)CCOCC1 ZINC001252623008 1039051816 /nfs/dbraw/zinc/05/18/16/1039051816.db2.gz BRFDLFKNZZOJDX-QGZVFWFLSA-N 1 0 382.342 3.705 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cn3ccc(Cl)cc3n1)[C@H]2CC ZINC001233389469 1039215565 /nfs/dbraw/zinc/21/55/65/1039215565.db2.gz MMDQIIXGTJGMLL-RXVVDRJESA-N 1 0 386.927 3.909 20 30 GHEDRO N#Cc1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001252938857 1039282998 /nfs/dbraw/zinc/28/29/98/1039282998.db2.gz ZDYRTZHZTKIOOL-IBGZPJMESA-N 1 0 391.393 3.506 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233453736 1039344165 /nfs/dbraw/zinc/34/41/65/1039344165.db2.gz RNJBIEBQQDNNHS-IBGZPJMESA-N 1 0 382.426 3.944 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(O[C@H]2CCN(Cc3ccccc3C#N)C2)cn1 ZINC001233494305 1039386019 /nfs/dbraw/zinc/38/60/19/1039386019.db2.gz MAZSRQPEKFVQKF-IBGZPJMESA-N 1 0 394.475 3.954 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C[C@](C)(O)c3ccccc3)cc(C#N)c21 ZINC001253118804 1039435671 /nfs/dbraw/zinc/43/56/71/1039435671.db2.gz REXJGPFLZIDEHQ-MWTRTKDXSA-N 1 0 375.472 3.601 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001253235958 1039489695 /nfs/dbraw/zinc/48/96/95/1039489695.db2.gz PJASYYSTAONSHB-CWBXHPNXSA-N 1 0 388.552 3.718 20 30 GHEDRO C=CCCCCCC[C@H](O)CN1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253236372 1039491663 /nfs/dbraw/zinc/49/16/63/1039491663.db2.gz SOWHITOXZJTWNU-UNMCSNQZSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001253236735 1039492528 /nfs/dbraw/zinc/49/25/28/1039492528.db2.gz GCZPNTZVDLAYSL-ZCNNSNEGSA-N 1 0 376.566 3.639 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001253253166 1039503950 /nfs/dbraw/zinc/50/39/50/1039503950.db2.gz CNKHCXSKIZDYFS-SFHVURJKSA-N 1 0 386.492 3.517 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CC1(c2ccc(OC)cn2)CCOCC1 ZINC001253253710 1039504023 /nfs/dbraw/zinc/50/40/23/1039504023.db2.gz JWVSGABOOAKZHH-IBGZPJMESA-N 1 0 376.541 3.616 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001253565066 1039705781 /nfs/dbraw/zinc/70/57/81/1039705781.db2.gz IQMVOQKIMNPOOR-HXUWFJFHSA-N 1 0 383.621 3.540 20 30 GHEDRO C=C[C@H](O)C[N@@H+](Cc1ccc(F)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587425 1039711291 /nfs/dbraw/zinc/71/12/91/1039711291.db2.gz LMFXNRBDHMMYPO-FQEVSTJZSA-N 1 0 392.515 3.883 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)ccc21 ZINC001253598861 1039715656 /nfs/dbraw/zinc/71/56/56/1039715656.db2.gz ACKFSHBEYVRAJX-FXAWDEMLSA-N 1 0 386.536 3.845 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1ccnnc1 ZINC001253615080 1039725232 /nfs/dbraw/zinc/72/52/32/1039725232.db2.gz ZWZRKTISNWDZBI-JOCHJYFZSA-N 1 0 395.588 3.881 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC1CC(O)C1 ZINC001253615073 1039725454 /nfs/dbraw/zinc/72/54/54/1039725454.db2.gz ZWCMUANILRKPHQ-HRTMPFAESA-N 1 0 387.605 3.662 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(OCC#N)cc1 ZINC001253891716 1039883162 /nfs/dbraw/zinc/88/31/62/1039883162.db2.gz LTXLDMLYHXAJRF-ZWKOTPCHSA-N 1 0 378.476 3.716 20 30 GHEDRO N#Cc1nc2ccc(NCC3(O)CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC001254043988 1039972679 /nfs/dbraw/zinc/97/26/79/1039972679.db2.gz GPVVSELENXLWII-UHFFFAOYSA-N 1 0 378.501 3.607 20 30 GHEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccnc(Br)c2C#N)C1 ZINC001234426963 1040026497 /nfs/dbraw/zinc/02/64/97/1040026497.db2.gz MQGCSOYBHQIQJK-KBPBESRZSA-N 1 0 387.281 3.715 20 30 GHEDRO COc1cc(C)c(CN2CCN(CCC#N)CC2)cc1OCc1ccccc1 ZINC001234510571 1040088712 /nfs/dbraw/zinc/08/87/12/1040088712.db2.gz UTLWXROZBGEGQJ-UHFFFAOYSA-N 1 0 379.504 3.614 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1=O ZINC001254257358 1040104811 /nfs/dbraw/zinc/10/48/11/1040104811.db2.gz SLCHCIAWIGKSTP-IBGZPJMESA-N 1 0 383.492 3.664 20 30 GHEDRO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3Cl)C2)C1=O ZINC001277867068 1040146821 /nfs/dbraw/zinc/14/68/21/1040146821.db2.gz QREBNJCFNYGQAG-GOSISDBHSA-N 1 0 384.282 3.861 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)c(Cl)cc3Cl)CC2)C1=O ZINC001277867116 1040147009 /nfs/dbraw/zinc/14/70/09/1040147009.db2.gz RYWHAFZFRPVBOB-IBGZPJMESA-N 1 0 383.294 3.970 20 30 GHEDRO Cc1cc(N2CCC([NH2+]C3CCC(C#N)(c4ccc(F)cc4)CC3)CC2)ncn1 ZINC001254350962 1040183359 /nfs/dbraw/zinc/18/33/59/1040183359.db2.gz CKXITFWZNSGIPN-UHFFFAOYSA-N 1 0 393.510 3.887 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2cncn2C2CCOCC2)CC1 ZINC001254351855 1040184666 /nfs/dbraw/zinc/18/46/66/1040184666.db2.gz XCTSKQLUYNJRTD-UHFFFAOYSA-N 1 0 382.483 3.867 20 30 GHEDRO CCN1CC2(CC1=O)CC[NH+](C1CCC(C#N)(c3ccc(F)cc3)CC1)CC2 ZINC001254359712 1040191466 /nfs/dbraw/zinc/19/14/66/1040191466.db2.gz OJQCCVOHNFBCMR-UHFFFAOYSA-N 1 0 383.511 3.864 20 30 GHEDRO C[C@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC001254496792 1040285140 /nfs/dbraw/zinc/28/51/40/1040285140.db2.gz LBBSRJPJHDCGSJ-SFHVURJKSA-N 1 0 376.504 3.582 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](C3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC001254622872 1040394588 /nfs/dbraw/zinc/39/45/88/1040394588.db2.gz AKAIOTAYGNMRHK-UHFFFAOYSA-N 1 0 387.499 3.515 20 30 GHEDRO C=CCc1c(O[C@@H]2CCC[N@@H+](C)CC2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234902278 1040416380 /nfs/dbraw/zinc/41/63/80/1040416380.db2.gz BAEBNDQOCZJIRA-LJQANCHMSA-N 1 0 389.499 3.977 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)(Cc2cccnc2)CC1 ZINC001254648533 1040417899 /nfs/dbraw/zinc/41/78/99/1040417899.db2.gz MHORCNVRKJHFHK-QUCCMNQESA-N 1 0 398.551 3.923 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)C1 ZINC001254663888 1040425407 /nfs/dbraw/zinc/42/54/07/1040425407.db2.gz SNIVCBSHPLQSLL-QWFCFKBJSA-N 1 0 377.532 3.868 20 30 GHEDRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254666686 1040426672 /nfs/dbraw/zinc/42/66/72/1040426672.db2.gz XLKAJMOQDCVOPI-TZIWHRDSSA-N 1 0 389.547 3.787 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)CS2 ZINC001254681593 1040437754 /nfs/dbraw/zinc/43/77/54/1040437754.db2.gz HVGLRBIEDRCTMO-QGZVFWFLSA-N 1 0 387.549 3.878 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@@H+]3CCC4SC(=O)C=C4C3)C2)CC1 ZINC001254748216 1040507741 /nfs/dbraw/zinc/50/77/41/1040507741.db2.gz HKVOMROKUGPSJD-DLBZAZTESA-N 1 0 392.565 3.830 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1c(Cl)cccc1C#N)CC2 ZINC001235018567 1040509314 /nfs/dbraw/zinc/50/93/14/1040509314.db2.gz JLYHDCYRISVRIJ-UHFFFAOYSA-N 1 0 381.907 3.857 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C2 ZINC001254765191 1040524647 /nfs/dbraw/zinc/52/46/47/1040524647.db2.gz QQYFUNMJQMYPGM-GOSISDBHSA-N 1 0 385.508 3.706 20 30 GHEDRO CCCCCCCC[N@H+](CCN)[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254806981 1040567907 /nfs/dbraw/zinc/56/79/07/1040567907.db2.gz KMTVAFTZTRSQJD-LJQANCHMSA-N 1 0 397.604 3.776 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(Oc4cccnc4)cc3)C2)C1=O ZINC001235111466 1040596934 /nfs/dbraw/zinc/59/69/34/1040596934.db2.gz HVFMUWLEMQKDRG-HSZRJFAPSA-N 1 0 377.488 3.874 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCN(Cc3ccccc3)C1)[C@H]2CC ZINC001255112471 1040797895 /nfs/dbraw/zinc/79/78/95/1040797895.db2.gz NPWFPHDUQXAZDZ-GPXNEJASSA-N 1 0 381.564 3.683 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150441 1040867198 /nfs/dbraw/zinc/86/71/98/1040867198.db2.gz UXRFCGLJAWXHCE-KJJMTIBFSA-N 1 0 383.536 3.559 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001235528229 1040976340 /nfs/dbraw/zinc/97/63/40/1040976340.db2.gz OCVBZBFPSDCYDL-UHFFFAOYSA-N 1 0 375.394 3.973 20 30 GHEDRO CCCc1c(NC(=O)[C@H]2CCCC[N@H+]2CCC)cnn1-c1cccc(C#N)c1 ZINC001255504334 1041097377 /nfs/dbraw/zinc/09/73/77/1041097377.db2.gz LWGGXVFPVBOGQH-OAQYLSRUSA-N 1 0 379.508 3.899 20 30 GHEDRO N#Cc1cccc2c(CN3CC[NH2+][C@H](c4cccc(Br)c4)C3)c[nH]c21 ZINC001235790568 1041281041 /nfs/dbraw/zinc/28/10/41/1041281041.db2.gz HNCXEDZGHCOKCB-IBGZPJMESA-N 1 0 395.304 3.949 20 30 GHEDRO COc1cccc(OC)c1C[NH+]1CCC(N[C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001255922957 1041411689 /nfs/dbraw/zinc/41/16/89/1041411689.db2.gz ADAATSDESCSGFZ-FQEVSTJZSA-N 1 0 383.467 3.662 20 30 GHEDRO C[C@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001235968564 1041473010 /nfs/dbraw/zinc/47/30/10/1041473010.db2.gz IRJSSSWUYNNORM-GUYCJALGSA-N 1 0 383.870 3.546 20 30 GHEDRO COc1cccc(C[C@@H](C)[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001256169225 1041614406 /nfs/dbraw/zinc/61/44/06/1041614406.db2.gz INFCKPBLDRAKJF-QGZVFWFLSA-N 1 0 392.503 3.784 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H](C)Cc3cccc(Br)c3)C2)C1=O ZINC001256182082 1041627774 /nfs/dbraw/zinc/62/77/74/1041627774.db2.gz HUVSYPBOVNPJAA-UZLBHIALSA-N 1 0 391.353 3.881 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256285582 1041683924 /nfs/dbraw/zinc/68/39/24/1041683924.db2.gz OVYDWBBSTWNMPX-UHFFFAOYSA-N 1 0 398.551 3.534 20 30 GHEDRO C#CCOc1ccc(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236392705 1041697263 /nfs/dbraw/zinc/69/72/63/1041697263.db2.gz CYPSHTJTKRDHLW-OAQYLSRUSA-N 1 0 382.479 3.601 20 30 GHEDRO C[C@@H](CC(=O)N1CCOCC1)[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001256350313 1041708170 /nfs/dbraw/zinc/70/81/70/1041708170.db2.gz UBTMTCOBEFQASJ-PMACEKPBSA-N 1 0 391.515 3.759 20 30 GHEDRO COc1ccc(CN(Cc2cn(C)c3ccc(C#N)cc23)C2CC[NH2+]CC2)cc1 ZINC001236445707 1041716109 /nfs/dbraw/zinc/71/61/09/1041716109.db2.gz DOARJFBMHWMGRB-UHFFFAOYSA-N 1 0 388.515 3.813 20 30 GHEDRO C[C@H]1C[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CCN1C(=O)OC(C)(C)C ZINC001256460197 1041742148 /nfs/dbraw/zinc/74/21/48/1041742148.db2.gz YXFHQLOCAKXKTO-YJBOKZPZSA-N 1 0 382.508 3.975 20 30 GHEDRO N#CCOc1ccc(CN2CC[NH2+]C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC001236805765 1041907299 /nfs/dbraw/zinc/90/72/99/1041907299.db2.gz YXICDQWPEAFZHL-LJQANCHMSA-N 1 0 375.394 3.754 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(F)c(N4CCOCC4)c3)CC2)cc1 ZINC001236957842 1041969117 /nfs/dbraw/zinc/96/91/17/1041969117.db2.gz NSPGTIQSNDTZFF-UHFFFAOYSA-N 1 0 393.506 3.989 20 30 GHEDRO CN1CCN(c2cc(C[NH+]3CCC(c4ccc(C#N)cc4)CC3)ccc2F)CC1 ZINC001236969286 1041972795 /nfs/dbraw/zinc/97/27/95/1041972795.db2.gz XVRVXMHSAKZMNT-UHFFFAOYSA-N 1 0 392.522 3.829 20 30 GHEDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001237052887 1042011462 /nfs/dbraw/zinc/01/14/62/1042011462.db2.gz DMABNFGPLRIDOF-ZYHUDNBSSA-N 1 0 375.284 3.913 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237288330 1042126010 /nfs/dbraw/zinc/12/60/10/1042126010.db2.gz FXWUPEALCRFQCZ-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(I)c1 ZINC001237388450 1042184058 /nfs/dbraw/zinc/18/40/58/1042184058.db2.gz PJVIUVBGBXCSOB-UHFFFAOYSA-N 1 0 380.204 3.934 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C1)C(=O)OC(C)(C)C ZINC001237473465 1042224934 /nfs/dbraw/zinc/22/49/34/1042224934.db2.gz KLDSVKGTZVOMRP-KRWDZBQOSA-N 1 0 382.508 3.739 20 30 GHEDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(F)c1 ZINC001237629440 1042295275 /nfs/dbraw/zinc/29/52/75/1042295275.db2.gz KZTXRHWFSZJRAV-HSZRJFAPSA-N 1 0 393.462 3.725 20 30 GHEDRO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2cc(Cl)cc(C#N)c2)C3)n1 ZINC001237751631 1042353923 /nfs/dbraw/zinc/35/39/23/1042353923.db2.gz YEUQGVMQSYXNIF-KNQAVFIVSA-N 1 0 397.906 3.580 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccc(-c3ccccn3)n1)C2 ZINC001237835337 1042393357 /nfs/dbraw/zinc/39/33/57/1042393357.db2.gz XFULHLUCUUQMJT-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO N#Cc1ccc(N2CCN(Cc3csc(-c4ccc(O)cc4)n3)CC2)cc1 ZINC001237980910 1042443533 /nfs/dbraw/zinc/44/35/33/1042443533.db2.gz OTNLSSMDUKGEII-UHFFFAOYSA-N 1 0 376.485 3.710 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1[nH]nc3cc(Cl)ccc31)C2 ZINC001237998759 1042452110 /nfs/dbraw/zinc/45/21/10/1042452110.db2.gz WXYYIMTYAZLIMX-WOJBJXKFSA-N 1 0 375.900 3.790 20 30 GHEDRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccc(Cl)c(C#N)c4)C[C@@H]3C2=O)c1 ZINC001238191097 1042514880 /nfs/dbraw/zinc/51/48/80/1042514880.db2.gz PPYUXVGSHUFHMU-PMACEKPBSA-N 1 0 379.891 3.611 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NCC[C@@H]1CCOC12CC[NH2+]CC2 ZINC001238276858 1042538791 /nfs/dbraw/zinc/53/87/91/1042538791.db2.gz OFDYWRTZDVQNDE-LJQANCHMSA-N 1 0 388.618 3.595 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001238286709 1042541462 /nfs/dbraw/zinc/54/14/62/1042541462.db2.gz XAWHSKMXVRLDEK-LJQANCHMSA-N 1 0 388.618 3.595 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C)c4)C3)C2)ccc1C#N ZINC001238406415 1042586384 /nfs/dbraw/zinc/58/63/84/1042586384.db2.gz FIAZEZXJBZOUHM-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001238744523 1042710795 /nfs/dbraw/zinc/71/07/95/1042710795.db2.gz BMTVMYDUBUYCBS-VQTJNVASSA-N 1 0 381.586 3.792 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)ccc1C#N ZINC001238761941 1042718510 /nfs/dbraw/zinc/71/85/10/1042718510.db2.gz IMTLFMGWCPZVHZ-OAQYLSRUSA-N 1 0 397.473 3.648 20 30 GHEDRO CCc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)ccc1C#N ZINC001238776956 1042724125 /nfs/dbraw/zinc/72/41/25/1042724125.db2.gz XDGIZQUCXIGJMY-RBBKRZOGSA-N 1 0 377.463 3.606 20 30 GHEDRO CCCCCCCCCCCCNC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001239219674 1042788767 /nfs/dbraw/zinc/78/87/67/1042788767.db2.gz IXYMVNUECNVPMT-IRLDBZIGSA-N 1 0 397.604 3.602 20 30 GHEDRO CCCCCCCNC(=S)NC1(Cc2ccc(OC)cc2)CC[NH2+]CC1 ZINC001239383722 1042817970 /nfs/dbraw/zinc/81/79/70/1042817970.db2.gz AANONEMEIPYDBU-UHFFFAOYSA-N 1 0 377.598 3.794 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N(CCC[NH3+])CC(=O)OCC ZINC001239452192 1042831966 /nfs/dbraw/zinc/83/19/66/1042831966.db2.gz NZXDWHWTHBETBP-UHFFFAOYSA-N 1 0 387.634 3.996 20 30 GHEDRO CC1CCN(C(=O)c2cccc(-c3ccc(N4CC[NH2+]CC4)c(C#N)c3)c2)CC1 ZINC001240107598 1042890923 /nfs/dbraw/zinc/89/09/23/1042890923.db2.gz RWNXSVPSPAXLGV-UHFFFAOYSA-N 1 0 388.515 3.507 20 30 GHEDRO N#CCc1ccc(OCc2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)nc2)cc1 ZINC001240343626 1042922288 /nfs/dbraw/zinc/92/22/88/1042922288.db2.gz RYISQWOMPGVESE-UHFFFAOYSA-N 1 0 380.451 3.952 20 30 GHEDRO N#Cc1cc(-c2ccccc2CS(=O)(=O)c2ccccc2)cc(C2C[NH2+]C2)c1 ZINC001240356946 1042923171 /nfs/dbraw/zinc/92/31/71/1042923171.db2.gz YGSQSBYYBLOQMJ-UHFFFAOYSA-N 1 0 388.492 3.886 20 30 GHEDRO C[C@H]1CCC[C@](Cn2c(CC3CC3)nnc2N2CCC(C)(C#N)CC2)([NH+](C)C)C1 ZINC001291067592 1043062731 /nfs/dbraw/zinc/06/27/31/1043062731.db2.gz CEWSQEKIDIZNTB-MBSDFSHPSA-N 1 0 398.599 3.871 20 30 GHEDRO N#Cc1ccc2c(c1)C[N@H+](C1CCN(c3ncccc3C(F)(F)F)CC1)CC2 ZINC001256887849 1043722967 /nfs/dbraw/zinc/72/29/67/1043722967.db2.gz NOFJORRCEIJSNO-UHFFFAOYSA-N 1 0 386.421 3.999 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CCN([C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC001256911722 1043737601 /nfs/dbraw/zinc/73/76/01/1043737601.db2.gz SWLKJZVTJFKCGZ-NRFANRHFSA-N 1 0 389.584 3.894 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCCC[C@H]2[NH2+]C2CCC(C#N)CC2)C1 ZINC001256950777 1043769855 /nfs/dbraw/zinc/76/98/55/1043769855.db2.gz MCCCAMWEHWRAGE-YMPMHWPESA-N 1 0 377.529 3.607 20 30 GHEDRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](C1CCC(C#N)CC1)CC2 ZINC001256964000 1043775959 /nfs/dbraw/zinc/77/59/59/1043775959.db2.gz PKNQDAXDTCZTPZ-UHFFFAOYSA-N 1 0 389.547 3.869 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCC(C#N)CC2)C[C@@H]1C(F)(F)F ZINC001256971824 1043778030 /nfs/dbraw/zinc/77/80/30/1043778030.db2.gz MKBRRNHXIOQFKK-WUCCLRPBSA-N 1 0 375.435 3.846 20 30 GHEDRO N#Cc1ccc(C2CCC(n3cc(Br)ccc3=NCC[NH3+])CC2)cc1 ZINC001257014080 1043799713 /nfs/dbraw/zinc/79/97/13/1043799713.db2.gz MYAHCCWXZQJCRK-UHFFFAOYSA-N 1 0 399.336 3.881 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC001292959295 1043966117 /nfs/dbraw/zinc/96/61/17/1043966117.db2.gz YDROVVIKFQYBBY-MSOLQXFVSA-N 1 0 384.442 3.554 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C3)CCCN(C(=O)c3cnccn3)C4)C[C@H](C1)C2 ZINC001257891057 1044246569 /nfs/dbraw/zinc/24/65/69/1044246569.db2.gz DPQPXZPWORRKRK-QNLWVQNGSA-N 1 0 380.536 3.540 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@]4(C[C@@H](N(C)c5ncccn5)CO4)C3)C[C@H](C1)C2 ZINC001257893759 1044249213 /nfs/dbraw/zinc/24/92/13/1044249213.db2.gz ZBNZTIKGCVQHCC-YWMYMHMLSA-N 1 0 382.552 3.671 20 30 GHEDRO CCCCCCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccno2)[C@H]2OCCC[C@H]2C1 ZINC001258046864 1044369986 /nfs/dbraw/zinc/36/99/86/1044369986.db2.gz FKDNOIDARKFYMU-RMJJICAUSA-N 1 0 377.529 3.633 20 30 GHEDRO C[C@H]1CC([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)C[C@H](C)C1 ZINC001258159674 1044446959 /nfs/dbraw/zinc/44/69/59/1044446959.db2.gz MAENLLAQDHRTBI-PWHSHALESA-N 1 0 382.552 3.697 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001294219398 1044531486 /nfs/dbraw/zinc/53/14/86/1044531486.db2.gz YKCFPJBOQVKDJR-PMACEKPBSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC001258566128 1044645165 /nfs/dbraw/zinc/64/51/65/1044645165.db2.gz ATIZRBBDSSANQX-IRXDYDNUSA-N 1 0 395.544 3.541 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001258714186 1044732424 /nfs/dbraw/zinc/73/24/24/1044732424.db2.gz KIXHJBIQMNPNCG-YADHBBJMSA-N 1 0 382.589 3.711 20 30 GHEDRO COc1cc(C[C@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc(OC)c1OC ZINC001258859342 1044799381 /nfs/dbraw/zinc/79/93/81/1044799381.db2.gz FOUFYEGYGMBVHB-INIZCTEOSA-N 1 0 384.476 3.574 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)C#Cc3ccc4c(c3)OCO4)c2)CC1 ZINC001295135167 1044927778 /nfs/dbraw/zinc/92/77/78/1044927778.db2.gz ZLGDSOSJPISATH-UHFFFAOYSA-N 1 0 390.483 3.680 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)C1 ZINC001295511401 1045038522 /nfs/dbraw/zinc/03/85/22/1045038522.db2.gz HTCAJCKMORNLSP-YSIASYRMSA-N 1 0 396.514 3.515 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CC)CCC2)C[C@@H]1C ZINC001296148943 1045265171 /nfs/dbraw/zinc/26/51/71/1045265171.db2.gz DUIKIKUZWCUSMC-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1 ZINC001298677349 1045916333 /nfs/dbraw/zinc/91/63/33/1045916333.db2.gz UJCGXMGHSGQFKR-UHFFFAOYSA-N 1 0 386.499 3.533 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300799576 1046167722 /nfs/dbraw/zinc/16/77/22/1046167722.db2.gz BAVBZSAZBZKOBR-NMNUPHIUSA-N 1 0 394.567 3.776 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001300802772 1046172226 /nfs/dbraw/zinc/17/22/26/1046172226.db2.gz WFHIMAITXSXWGT-HSZRJFAPSA-N 1 0 377.536 3.648 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001300805763 1046174534 /nfs/dbraw/zinc/17/45/34/1046174534.db2.gz ICZWZKGDNXVGJC-NZQKXSOJSA-N 1 0 377.536 3.670 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300809009 1046179083 /nfs/dbraw/zinc/17/90/83/1046179083.db2.gz ZQJWYKWQNHKAEB-GHTZIAJQSA-N 1 0 383.565 3.587 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300899836 1046231311 /nfs/dbraw/zinc/23/13/11/1046231311.db2.gz JRUWBHJIKWFREH-QZTJIDSGSA-N 1 0 391.604 3.866 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262504270 1046264912 /nfs/dbraw/zinc/26/49/12/1046264912.db2.gz LPQZFQYHTSRWFI-FJIDUMEYSA-N 1 0 375.586 3.589 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001301128833 1046361589 /nfs/dbraw/zinc/36/15/89/1046361589.db2.gz APOJKXHHJILTCL-UHFFFAOYSA-N 1 0 387.597 3.921 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)c2nnc(CCCCC#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC001262867329 1046390918 /nfs/dbraw/zinc/39/09/18/1046390918.db2.gz OHBQZHHPCVSYHO-QUCCMNQESA-N 1 0 380.540 3.541 20 30 GHEDRO C=CCN(c1nnc(COc2cccc(C)c2)n1CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC001301331060 1046494241 /nfs/dbraw/zinc/49/42/41/1046494241.db2.gz DDGSLZSMWDLHGT-LJQANCHMSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001301374829 1046513943 /nfs/dbraw/zinc/51/39/43/1046513943.db2.gz FKALYAXLPBWCNT-OAQYLSRUSA-N 1 0 390.535 3.870 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C1(C#N)CCCC1 ZINC001263300782 1046697931 /nfs/dbraw/zinc/69/79/31/1046697931.db2.gz ZNTHHCOQCOVKET-LJQANCHMSA-N 1 0 382.556 3.502 20 30 GHEDRO CC(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001263405439 1046788930 /nfs/dbraw/zinc/78/89/30/1046788930.db2.gz IRSNENURYMUIHV-UXHICEINSA-N 1 0 384.572 3.654 20 30 GHEDRO CC(C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC001302516023 1046960882 /nfs/dbraw/zinc/96/08/82/1046960882.db2.gz QGYGCQYUBVXOML-LJQANCHMSA-N 1 0 384.572 3.796 20 30 GHEDRO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2CCC[N@@H+](C)C2)n1C[C@H]1CCCCO1 ZINC001263601463 1046985986 /nfs/dbraw/zinc/98/59/86/1046985986.db2.gz ZDXCIOVGYNFPTO-VAMGGRTRSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001303045795 1047259584 /nfs/dbraw/zinc/25/95/84/1047259584.db2.gz HEQONACFGPYAAG-TZRRMPRUSA-N 1 0 392.543 3.654 20 30 GHEDRO C[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC=CCC1)[NH+]1CCCCC1 ZINC001303664235 1047470961 /nfs/dbraw/zinc/47/09/61/1047470961.db2.gz JYKQKGLKSZRKDD-LJQANCHMSA-N 1 0 390.535 3.848 20 30 GHEDRO C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC=CCC1)[NH+]1CCCCC1 ZINC001303664233 1047471175 /nfs/dbraw/zinc/47/11/75/1047471175.db2.gz JYKQKGLKSZRKDD-IBGZPJMESA-N 1 0 390.535 3.848 20 30 GHEDRO C[C@@H](Cn1c(CCc2ccccc2)nnc1N(C)[C@H](C)CC#N)C[NH+]1CCCC1 ZINC001303750891 1047504225 /nfs/dbraw/zinc/50/42/25/1047504225.db2.gz CWSKCYYYAXDMTB-WOJBJXKFSA-N 1 0 394.567 3.534 20 30 GHEDRO C=CCCCCCCCC[NH+]1CC2(CN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001279271674 1047752911 /nfs/dbraw/zinc/75/29/11/1047752911.db2.gz OFTWFBVAPCHEIK-UHFFFAOYSA-N 1 0 378.948 3.597 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305020709 1047839105 /nfs/dbraw/zinc/83/91/05/1047839105.db2.gz DGVMGPUXFQDQDQ-QZTJIDSGSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305051984 1047860461 /nfs/dbraw/zinc/86/04/61/1047860461.db2.gz RWBUWRCIAIPGNX-CEXWTWQISA-N 1 0 392.551 3.783 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N[C@H](C)c1ncc[nH]1 ZINC001279832227 1047963603 /nfs/dbraw/zinc/96/36/03/1047963603.db2.gz MFBGMZBKIFQTOR-SJORKVTESA-N 1 0 376.570 3.531 20 30 GHEDRO C=CCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CC(CC#N)C1 ZINC001279834818 1047963642 /nfs/dbraw/zinc/96/36/42/1047963642.db2.gz OBAZTMFVCZBQHM-LJQANCHMSA-N 1 0 375.582 3.693 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC001279985950 1048028330 /nfs/dbraw/zinc/02/83/30/1048028330.db2.gz LJJWPDVKOHRMCE-GASCZTMLSA-N 1 0 382.455 3.746 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1ccc(C#N)o1 ZINC001305445473 1048058760 /nfs/dbraw/zinc/05/87/60/1048058760.db2.gz QTYFYQXJSQVKIK-QZTJIDSGSA-N 1 0 396.539 3.617 20 30 GHEDRO CS[C@H](C)CC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1cc(C)ccc1C#N ZINC001280224003 1048133870 /nfs/dbraw/zinc/13/38/70/1048133870.db2.gz PFVNQGONQYQASB-NVXWUHKLSA-N 1 0 389.590 3.754 20 30 GHEDRO CS[C@@H](C)CC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1cc(C)ccc1C#N ZINC001280224005 1048134279 /nfs/dbraw/zinc/13/42/79/1048134279.db2.gz PFVNQGONQYQASB-RDJZCZTQSA-N 1 0 389.590 3.754 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001286278587 1048249712 /nfs/dbraw/zinc/24/97/12/1048249712.db2.gz DYJLZCQCMCJCPJ-UTKZUKDTSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286292504 1048258916 /nfs/dbraw/zinc/25/89/16/1048258916.db2.gz ZFDUEVLTRGUGPG-SJORKVTESA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001286295160 1048259690 /nfs/dbraw/zinc/25/96/90/1048259690.db2.gz YRVNEBSZQISUKC-LJQANCHMSA-N 1 0 379.552 3.916 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001286307063 1048268605 /nfs/dbraw/zinc/26/86/05/1048268605.db2.gz ZLWRHDPWNZANCO-RTBURBONSA-N 1 0 397.592 3.821 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC[N@@H+](C)C(C)C ZINC001286360450 1048288893 /nfs/dbraw/zinc/28/88/93/1048288893.db2.gz HCCPSINAKOVUDF-HXUWFJFHSA-N 1 0 397.567 3.835 20 30 GHEDRO C#CCN(C)c1nnc(C2CCC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001286371750 1048296333 /nfs/dbraw/zinc/29/63/33/1048296333.db2.gz CTAUCMNYRJRGTD-UHFFFAOYSA-N 1 0 383.565 3.589 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001286374103 1048297848 /nfs/dbraw/zinc/29/78/48/1048297848.db2.gz VMWIGTBUBJLMLI-HXUWFJFHSA-N 1 0 393.579 3.759 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001286516175 1048344183 /nfs/dbraw/zinc/34/41/83/1048344183.db2.gz CXUWSCANUGLLSI-WZONZLPQSA-N 1 0 395.551 3.998 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001286519931 1048346430 /nfs/dbraw/zinc/34/64/30/1048346430.db2.gz PNDMHXAIVUQCPM-NFBKMPQASA-N 1 0 396.583 3.642 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286526022 1048351646 /nfs/dbraw/zinc/35/16/46/1048351646.db2.gz OMXAHIULASSLMU-SXWKCWPCSA-N 1 0 399.583 3.632 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001286571238 1048369855 /nfs/dbraw/zinc/36/98/55/1048369855.db2.gz KAZWMBQSWXVBKI-FQEVSTJZSA-N 1 0 380.540 3.759 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286581642 1048375301 /nfs/dbraw/zinc/37/53/01/1048375301.db2.gz SAWNNPLIFACXNK-IBGZPJMESA-N 1 0 397.542 3.895 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286588349 1048378236 /nfs/dbraw/zinc/37/82/36/1048378236.db2.gz RESNJCOCPGYELE-UHFFFAOYSA-N 1 0 395.551 3.985 20 30 GHEDRO C=C(Cl)Cn1c(C2CCCC2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001286630041 1048398579 /nfs/dbraw/zinc/39/85/79/1048398579.db2.gz URZISYRUJZJPNK-GOSISDBHSA-N 1 0 395.979 3.625 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001286645975 1048412101 /nfs/dbraw/zinc/41/21/01/1048412101.db2.gz KCRMVWUOOZTBHL-UXHICEINSA-N 1 0 387.572 3.593 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286648336 1048415166 /nfs/dbraw/zinc/41/51/66/1048415166.db2.gz QCVMBGSQOQEPIZ-VQTJNVASSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286696916 1048457506 /nfs/dbraw/zinc/45/75/06/1048457506.db2.gz VMSNOWDIHSEJME-UHFFFAOYSA-N 1 0 378.524 3.750 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001286722028 1048478372 /nfs/dbraw/zinc/47/83/72/1048478372.db2.gz OLGIJPUJEVWSJW-SFHVURJKSA-N 1 0 378.524 3.806 20 30 GHEDRO C=CCN(C)c1nnc(CC2CCCC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001286729945 1048487557 /nfs/dbraw/zinc/48/75/57/1048487557.db2.gz IICXOEAVFVRRKH-UHFFFAOYSA-N 1 0 394.567 3.985 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC001286736006 1048494778 /nfs/dbraw/zinc/49/47/78/1048494778.db2.gz WQXOCXAGNJGAFK-IBGZPJMESA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCOC2)n1C[C@H]1CCCC[N@H+]1CCCC)C1CC1 ZINC001286738583 1048496825 /nfs/dbraw/zinc/49/68/25/1048496825.db2.gz XKAJKMPBPOTSLO-AZUAARDMSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CC[NH+]1CCCCCC1 ZINC001286742404 1048500665 /nfs/dbraw/zinc/50/06/65/1048500665.db2.gz YRWCMLMBXRAGDY-UHFFFAOYSA-N 1 0 392.551 3.781 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C)C1)C(C)C ZINC001286751697 1048505306 /nfs/dbraw/zinc/50/53/06/1048505306.db2.gz SOHOWOKRPBPRCD-TZIWHRDSSA-N 1 0 394.567 3.885 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)[NH+](C)C ZINC001286762291 1048514609 /nfs/dbraw/zinc/51/46/09/1048514609.db2.gz DCKCXUDCWDQRFZ-PZJWPPBQSA-N 1 0 397.567 3.705 20 30 GHEDRO C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286832098 1048539568 /nfs/dbraw/zinc/53/95/68/1048539568.db2.gz HSBJDAIYSPNNLN-IBGZPJMESA-N 1 0 389.613 3.920 20 30 GHEDRO C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286832076 1048539577 /nfs/dbraw/zinc/53/95/77/1048539577.db2.gz OESWKKXHXLEAEU-UHFFFAOYSA-N 1 0 379.618 3.706 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C#N)[NH+](C)C ZINC001287328581 1048716328 /nfs/dbraw/zinc/71/63/28/1048716328.db2.gz HYMSMKRSOLCAND-IAGOWNOFSA-N 1 0 386.519 3.656 20 30 GHEDRO CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001306791284 1048896362 /nfs/dbraw/zinc/89/63/62/1048896362.db2.gz OKCQVMOLGJSHAW-FQEVSTJZSA-N 1 0 380.540 3.927 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC001306936214 1048967890 /nfs/dbraw/zinc/96/78/90/1048967890.db2.gz ORPCBCJEQPTBPA-ZHALLVOQSA-N 1 0 377.492 3.982 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](Nc2cc(Br)ccc2C#N)[C@H](C)C1 ZINC001306968688 1048984688 /nfs/dbraw/zinc/98/46/88/1048984688.db2.gz AASBOPBVKXGEAM-PBHICJAKSA-N 1 0 380.330 3.870 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001288508438 1049118172 /nfs/dbraw/zinc/11/81/72/1049118172.db2.gz SSRZIYOWZZMNKL-AZUAARDMSA-N 1 0 394.567 3.979 20 30 GHEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3c(C)cc(C#N)cc3C)[C@H](C)C2)cc1 ZINC001307449954 1049285861 /nfs/dbraw/zinc/28/58/61/1049285861.db2.gz JFEXYXLSSYYYQE-GOSISDBHSA-N 1 0 377.488 3.672 20 30 GHEDRO CCSCC[C@H](C)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307561346 1049402690 /nfs/dbraw/zinc/40/26/90/1049402690.db2.gz HGJGNUYKINDCKI-HNNXBMFYSA-N 1 0 386.483 3.637 20 30 GHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001307592261 1049430787 /nfs/dbraw/zinc/43/07/87/1049430787.db2.gz KUKIEIPAKQQTMG-HXUWFJFHSA-N 1 0 386.883 3.773 20 30 GHEDRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001307595458 1049434610 /nfs/dbraw/zinc/43/46/10/1049434610.db2.gz KGQRWOBKYUWWHM-NTUVXCKYSA-N 1 0 392.547 3.528 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC001307669171 1049492751 /nfs/dbraw/zinc/49/27/51/1049492751.db2.gz VOPZBYDONLDXPG-PMACEKPBSA-N 1 0 378.497 3.933 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001289531443 1049526174 /nfs/dbraw/zinc/52/61/74/1049526174.db2.gz LKIFNQAGGCRTJR-VQIMIIECSA-N 1 0 392.507 3.745 20 30 GHEDRO Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2([NH+](C)C)CCCC2)o1 ZINC001289554409 1049537409 /nfs/dbraw/zinc/53/74/09/1049537409.db2.gz WZRXMCAPKYDYQY-UHFFFAOYSA-N 1 0 396.539 3.851 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)C[NH+]2CCCC2)o1 ZINC001289572174 1049545896 /nfs/dbraw/zinc/54/58/96/1049545896.db2.gz WCIXWWHMGZQHCX-QGZVFWFLSA-N 1 0 396.539 3.709 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C12CCCC2 ZINC001307754114 1049568735 /nfs/dbraw/zinc/56/87/35/1049568735.db2.gz KXFRNYDBMKJMON-LEWJYISDSA-N 1 0 383.536 3.878 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H]3C3CCC3)sc2C1 ZINC001307868373 1049650968 /nfs/dbraw/zinc/65/09/68/1049650968.db2.gz MPPFMZDALKXVMH-KSSFIOAISA-N 1 0 387.549 3.574 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC001307915911 1049693083 /nfs/dbraw/zinc/69/30/83/1049693083.db2.gz ZSZLXTLRTRVRMY-KBPBESRZSA-N 1 0 398.288 3.906 20 30 GHEDRO CCc1ccc(C2CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC001307974333 1049733059 /nfs/dbraw/zinc/73/30/59/1049733059.db2.gz ABQUGBJJKHGZDB-UHFFFAOYSA-N 1 0 386.495 3.728 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCC[N@@H+](C)C(C)C ZINC001290111470 1049734804 /nfs/dbraw/zinc/73/48/04/1049734804.db2.gz QYHJRGNJVYYIEI-UHFFFAOYSA-N 1 0 380.540 3.724 20 30 GHEDRO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC001308009884 1049759792 /nfs/dbraw/zinc/75/97/92/1049759792.db2.gz GKYBHJCFVMJQFJ-XLIONFOSSA-N 1 0 394.918 3.947 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+]C2(C3CC3)CCC2)c1C#N ZINC001308068507 1049814753 /nfs/dbraw/zinc/81/47/53/1049814753.db2.gz PGUYBLFXWGNIFF-UHFFFAOYSA-N 1 0 380.467 3.966 20 30 GHEDRO C[C@@H](COCC1CCCCC1)[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001308093992 1049840756 /nfs/dbraw/zinc/84/07/56/1049840756.db2.gz YYUHGMOTJSXJRH-DBAFAGGRSA-N 1 0 377.573 3.881 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001308109976 1049854058 /nfs/dbraw/zinc/85/40/58/1049854058.db2.gz DTYLZKXEVGGDDN-AVRDEDQJSA-N 1 0 385.508 3.858 20 30 GHEDRO CC(C)(C)OC(=O)CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001308125096 1049868881 /nfs/dbraw/zinc/86/88/81/1049868881.db2.gz ROEIJKGXMNZCMW-IUCAKERBSA-N 1 0 397.306 3.821 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](CC#N)c1ccccc1)c1cccc(OC)c1 ZINC001290521173 1049869577 /nfs/dbraw/zinc/86/95/77/1049869577.db2.gz SJUYMAYTEIEIGZ-FGZHOGPDSA-N 1 0 379.504 3.892 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308177628 1049902212 /nfs/dbraw/zinc/90/22/12/1049902212.db2.gz OMZFFGUHNNCTGQ-SFHVURJKSA-N 1 0 381.561 3.501 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291013114 1049971778 /nfs/dbraw/zinc/97/17/78/1049971778.db2.gz JIGAOWBMRKXUSM-GUDVDZBRSA-N 1 0 388.604 3.973 20 30 GHEDRO C#CCC1([NH2+]Cc2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)CCCCC1 ZINC001308531909 1050000480 /nfs/dbraw/zinc/00/04/80/1050000480.db2.gz NPDFXROEUIQBKB-SFHVURJKSA-N 1 0 386.536 3.757 20 30 GHEDRO C=CCC[C@H](CCC)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001308762909 1050086896 /nfs/dbraw/zinc/08/68/96/1050086896.db2.gz VFOZNTZRAPUZHQ-AWEZNQCLSA-N 1 0 386.277 3.954 20 30 GHEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308851442 1050124074 /nfs/dbraw/zinc/12/40/74/1050124074.db2.gz LUTVOQGOEYPALA-KNQAVFIVSA-N 1 0 387.524 3.561 20 30 GHEDRO COc1cccc([C@@H](O)C2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)c1 ZINC001308888735 1050141129 /nfs/dbraw/zinc/14/11/29/1050141129.db2.gz ISJCIVUHMJAFLU-QHCPKHFHSA-N 1 0 379.504 3.578 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1(C)C ZINC001308891180 1050142104 /nfs/dbraw/zinc/14/21/04/1050142104.db2.gz MHNHVTOWAHSXLX-WOJBJXKFSA-N 1 0 398.551 3.808 20 30 GHEDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)cc1F ZINC001308924645 1050177338 /nfs/dbraw/zinc/17/73/38/1050177338.db2.gz WQJWOIWMCDKABW-SFHVURJKSA-N 1 0 379.435 3.672 20 30 GHEDRO Cc1cccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C#N ZINC001309056381 1050308530 /nfs/dbraw/zinc/30/85/30/1050308530.db2.gz NEEVXYGXMRWOIC-GOSISDBHSA-N 1 0 397.544 3.720 20 30 GHEDRO CCOCc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC001328626660 1050565202 /nfs/dbraw/zinc/56/52/02/1050565202.db2.gz BUOFONYEFIQIAS-UHFFFAOYSA-N 1 0 392.503 3.881 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001309402112 1050681632 /nfs/dbraw/zinc/68/16/32/1050681632.db2.gz BEJXJUPOZGYNMJ-UHFFFAOYSA-N 1 0 391.562 3.578 20 30 GHEDRO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1C#N ZINC001329481938 1050817223 /nfs/dbraw/zinc/81/72/23/1050817223.db2.gz OYANBHPAKYKBHM-FRIKZZABSA-N 1 0 389.499 3.882 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)CC1 ZINC001329635087 1050867525 /nfs/dbraw/zinc/86/75/25/1050867525.db2.gz PGRSGHBMOQLASX-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cs1 ZINC001330505452 1051018648 /nfs/dbraw/zinc/01/86/48/1051018648.db2.gz QNAQYDYHOGBTSR-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc(Br)c3ccccc3c1)C2 ZINC001330983373 1051162454 /nfs/dbraw/zinc/16/24/54/1051162454.db2.gz HIGKHHWAKMKZQJ-SHYRYGCCSA-N 1 0 384.277 3.680 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(CC[NH+](CC)CC)CCC(F)(F)F ZINC001310572739 1051457889 /nfs/dbraw/zinc/45/78/89/1051457889.db2.gz KWTNCYKHKFENRN-UHFFFAOYSA-N 1 0 385.430 3.827 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCC1CCOCC1 ZINC001332845756 1051581724 /nfs/dbraw/zinc/58/17/24/1051581724.db2.gz YQJJJMQSSYYSAN-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2scc(C(C)(C)C)c2C#N)CCCO1 ZINC001310783420 1051587288 /nfs/dbraw/zinc/58/72/88/1051587288.db2.gz KHKVMSFTZPCUPF-CQSZACIVSA-N 1 0 378.542 3.540 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001310963316 1051736906 /nfs/dbraw/zinc/73/69/06/1051736906.db2.gz IFEXZGABPJSMQS-JOCHJYFZSA-N 1 0 391.475 3.614 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)CC1 ZINC001334167257 1051912942 /nfs/dbraw/zinc/91/29/42/1051912942.db2.gz DSIRBSSHJORVBG-UHFFFAOYSA-N 1 0 389.927 3.595 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C)nc1 ZINC001311286478 1051992222 /nfs/dbraw/zinc/99/22/22/1051992222.db2.gz ATSSXYDIVCSSQX-UHFFFAOYSA-N 1 0 379.508 3.846 20 30 GHEDRO C=CCC1(NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC001311423726 1052127880 /nfs/dbraw/zinc/12/78/80/1052127880.db2.gz MKEDJTVDMULTIW-UHFFFAOYSA-N 1 0 398.595 3.773 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]CCCCc2nc(-c3ccccn3)cs2)cc1 ZINC001336051208 1052220537 /nfs/dbraw/zinc/22/05/37/1052220537.db2.gz OFQSUFKWMYLLBM-HXUWFJFHSA-N 1 0 378.501 3.723 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H](C)CC#N ZINC001313447303 1053057011 /nfs/dbraw/zinc/05/70/11/1053057011.db2.gz LSMJYLMRSUENJF-MJGOQNOKSA-N 1 0 396.539 3.566 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C)C1 ZINC001313449079 1053058468 /nfs/dbraw/zinc/05/84/68/1053058468.db2.gz UMHJOYHIBWACLI-NQIIRXRSSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)[C@@H](O)CC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342308795 1053094800 /nfs/dbraw/zinc/09/48/00/1053094800.db2.gz BCZNMTXTUMJVGU-OALUTQOASA-N 1 0 389.588 3.573 20 30 GHEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC001313590505 1053119549 /nfs/dbraw/zinc/11/95/49/1053119549.db2.gz RVIWRCMCLQLENP-GOSISDBHSA-N 1 0 380.540 3.783 20 30 GHEDRO CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCC1 ZINC001313772102 1053222231 /nfs/dbraw/zinc/22/22/31/1053222231.db2.gz RZVDNZTUYGMSSO-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001343023080 1053503470 /nfs/dbraw/zinc/50/34/70/1053503470.db2.gz RLTVIMXJAQGLHS-FQEVSTJZSA-N 1 0 395.551 3.589 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001343574983 1053900614 /nfs/dbraw/zinc/90/06/14/1053900614.db2.gz DXSUJNQDCNXGAU-DLBZAZTESA-N 1 0 379.499 3.822 20 30 GHEDRO N#CC1(COC(=O)c2cccc3c2COCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001343846254 1054064077 /nfs/dbraw/zinc/06/40/77/1054064077.db2.gz XANOMLRWLMCWEF-UHFFFAOYSA-N 1 0 390.483 3.722 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC001344493317 1054519851 /nfs/dbraw/zinc/51/98/51/1054519851.db2.gz QACYXWZYONNFFP-KRWDZBQOSA-N 1 0 393.915 3.622 20 30 GHEDRO CC(C)(C)[NH+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC001318614219 1054750354 /nfs/dbraw/zinc/75/03/54/1054750354.db2.gz LGWOHTWWYPBPIE-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2CC2CC2)C1 ZINC001345345234 1054997581 /nfs/dbraw/zinc/99/75/81/1054997581.db2.gz IHKIKDDQJDTZSB-RXVVDRJESA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CC[NH+](C(C)(C)C)CC3)c(=S)o2)cc1 ZINC001319196768 1055091708 /nfs/dbraw/zinc/09/17/08/1055091708.db2.gz RLTWNGSCXQMNSS-UHFFFAOYSA-N 1 0 388.537 3.811 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001320043014 1055617792 /nfs/dbraw/zinc/61/77/92/1055617792.db2.gz ZUSSTKQJVZKTRA-KRWDZBQOSA-N 1 0 383.517 3.928 20 30 GHEDRO C=CC[C@@H]1NC(=O)N(C[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)C1=O ZINC001320753702 1055950271 /nfs/dbraw/zinc/95/02/71/1055950271.db2.gz DEDVPXWDVJYWQN-HOTGVXAUSA-N 1 0 383.414 3.585 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)[C@@H](C)C1 ZINC001353940253 1056156411 /nfs/dbraw/zinc/15/64/11/1056156411.db2.gz SGRAJSROGYGUMZ-AZUAARDMSA-N 1 0 394.567 3.585 20 30 GHEDRO C#CCN(C)c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001300471607 1056212400 /nfs/dbraw/zinc/21/24/00/1056212400.db2.gz ILLNMLPEDQNSDE-JOCHJYFZSA-N 1 0 393.579 3.787 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001300523218 1056360061 /nfs/dbraw/zinc/36/00/61/1056360061.db2.gz XXZLMOOYHMYVRP-NRFANRHFSA-N 1 0 389.547 3.673 20 30 GHEDRO N#CCOc1cccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC001321806941 1056402783 /nfs/dbraw/zinc/40/27/83/1056402783.db2.gz NCEPBIFQDDYAHW-UHFFFAOYSA-N 1 0 392.503 3.939 20 30 GHEDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC001321832545 1056412493 /nfs/dbraw/zinc/41/24/93/1056412493.db2.gz PXYCKLHZEUCVGA-UHFFFAOYSA-N 1 0 375.432 3.635 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300605849 1056617873 /nfs/dbraw/zinc/61/78/73/1056617873.db2.gz APYBFJPLXVEEKD-SFHVURJKSA-N 1 0 391.519 3.883 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(OCC#N)cc2)CC1 ZINC001322336838 1056637280 /nfs/dbraw/zinc/63/72/80/1056637280.db2.gz NAXBAJYUFNTQCZ-UHFFFAOYSA-N 1 0 378.476 3.717 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300613484 1056657004 /nfs/dbraw/zinc/65/70/04/1056657004.db2.gz IGLHALMIMNXXIL-UHFFFAOYSA-N 1 0 395.551 3.535 20 30 GHEDRO C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC1([NH+](C)C)CCC1 ZINC001300643396 1056754816 /nfs/dbraw/zinc/75/48/16/1056754816.db2.gz ILPRMLRKBNOPAP-UHFFFAOYSA-N 1 0 397.592 3.823 20 30 GHEDRO CCCOc1ccc(Br)cc1C[NH2+]CCNc1ncccc1C#N ZINC001322611181 1056768826 /nfs/dbraw/zinc/76/88/26/1056768826.db2.gz MPURQOYIHTZZPQ-UHFFFAOYSA-N 1 0 389.297 3.706 20 30 GHEDRO COc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)ccc2c1 ZINC001322624944 1056774327 /nfs/dbraw/zinc/77/43/27/1056774327.db2.gz FRBKDWJAVKTXRF-UHFFFAOYSA-N 1 0 387.483 3.924 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)C[C@H](C)O)cc1OC ZINC001200714562 1056797384 /nfs/dbraw/zinc/79/73/84/1056797384.db2.gz LEDAYUNANKQUDS-ZDUSSCGKSA-N 1 0 386.330 3.909 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492496271 1057043357 /nfs/dbraw/zinc/04/33/57/1057043357.db2.gz QSQFFGIQTYDDDF-OALUTQOASA-N 1 0 395.555 3.507 20 30 GHEDRO FC(F)(F)c1cc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)nc(-c2cccnc2)n1 ZINC000848407351 1057070422 /nfs/dbraw/zinc/07/04/22/1057070422.db2.gz ZLQBASLDVRKONF-HNNXBMFYSA-N 1 0 390.413 3.974 20 30 GHEDRO C=CC[C@H]1N(c2nnc([C@H]3CCC[N@@H+]3C3CCOCC3)n2C)CCCC1(C)C ZINC001355308542 1057113873 /nfs/dbraw/zinc/11/38/73/1057113873.db2.gz BCPOICOBOPTNJW-RTBURBONSA-N 1 0 387.572 3.702 20 30 GHEDRO C[NH+]1CCN(c2ccccc2C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 ZINC001324701611 1057206888 /nfs/dbraw/zinc/20/68/88/1057206888.db2.gz IPHYOIMBJQCPGO-NRFANRHFSA-N 1 0 390.531 3.731 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001355582698 1057218518 /nfs/dbraw/zinc/21/85/18/1057218518.db2.gz XPTYLJZAVQMSLP-PMACEKPBSA-N 1 0 390.527 3.975 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(OCC#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001324875719 1057239876 /nfs/dbraw/zinc/23/98/76/1057239876.db2.gz ZQPFSBZVWYJHNR-SFHVURJKSA-N 1 0 378.476 3.575 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCNC(=O)c1ccccc1C(F)(F)F ZINC001324891468 1057242067 /nfs/dbraw/zinc/24/20/67/1057242067.db2.gz QVDDMXRYVOQWTL-IBGZPJMESA-N 1 0 387.405 3.974 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC001324922854 1057248687 /nfs/dbraw/zinc/24/86/87/1057248687.db2.gz AODKUKSHJSFFAJ-AWEZNQCLSA-N 1 0 391.393 3.516 20 30 GHEDRO C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC001325496515 1057334753 /nfs/dbraw/zinc/33/47/53/1057334753.db2.gz INTGKWWKHSFTEX-YVEFUNNKSA-N 1 0 389.377 3.755 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nnc1C(C)(C)C#N ZINC001355977728 1057341511 /nfs/dbraw/zinc/34/15/11/1057341511.db2.gz SDIXZLNNBNTBAG-LJQANCHMSA-N 1 0 384.572 3.604 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001355995313 1057349399 /nfs/dbraw/zinc/34/93/99/1057349399.db2.gz DDFWFUINYWBDGH-UHFFFAOYSA-N 1 0 386.544 3.684 20 30 GHEDRO C=CCn1c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001356007436 1057353900 /nfs/dbraw/zinc/35/39/00/1057353900.db2.gz IXFYMJZLKMOBFG-JPYJTQIMSA-N 1 0 394.567 3.500 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@@H]2C1 ZINC001356063575 1057374304 /nfs/dbraw/zinc/37/43/04/1057374304.db2.gz VQIGUEDVKQTNIS-OFQRWUPVSA-N 1 0 391.313 3.515 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1C(C)(C)c1nccs1 ZINC001356274779 1057456650 /nfs/dbraw/zinc/45/66/50/1057456650.db2.gz INYNESNTZWNJAO-UHFFFAOYSA-N 1 0 388.585 3.603 20 30 GHEDRO CN(C)C(=[NH+]C[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)N(C)C ZINC000849003322 1057510885 /nfs/dbraw/zinc/51/08/85/1057510885.db2.gz GGAMFGAYWTXZRD-HNNXBMFYSA-N 1 0 378.870 3.745 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000849020556 1057527268 /nfs/dbraw/zinc/52/72/68/1057527268.db2.gz GKCZCXGVHZHYIB-UHFFFAOYSA-N 1 0 376.298 3.829 20 30 GHEDRO COCC(=O)Nc1cccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000849061688 1057572056 /nfs/dbraw/zinc/57/20/56/1057572056.db2.gz YVKJEAYRHXVEKD-UHFFFAOYSA-N 1 0 380.492 3.726 20 30 GHEDRO C=CCc1cc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc(OC)c1OC ZINC000849075119 1057583200 /nfs/dbraw/zinc/58/32/00/1057583200.db2.gz PVTGOYAJMWGPML-UHFFFAOYSA-N 1 0 385.464 3.586 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000849085040 1057587668 /nfs/dbraw/zinc/58/76/68/1057587668.db2.gz VBDLVDFIAUHELC-UHFFFAOYSA-N 1 0 377.444 3.502 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cccc(C(F)F)c3)CC2)c1 ZINC001327251189 1057629028 /nfs/dbraw/zinc/62/90/28/1057629028.db2.gz MTESBSQBPYYIQU-UHFFFAOYSA-N 1 0 398.457 3.960 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001338995533 1058918105 /nfs/dbraw/zinc/91/81/05/1058918105.db2.gz QZUWVERGHNNAFP-AZUAARDMSA-N 1 0 383.540 3.520 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC001442136328 1058925144 /nfs/dbraw/zinc/92/51/44/1058925144.db2.gz LYYBFSSXCKLDRA-CGCSMACGSA-N 1 0 386.536 3.756 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001339232249 1059026834 /nfs/dbraw/zinc/02/68/34/1059026834.db2.gz AHEHEAHLCKCADP-QGZVFWFLSA-N 1 0 392.507 3.528 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001339233468 1059029131 /nfs/dbraw/zinc/02/91/31/1059029131.db2.gz PNZPJDLERFAPOV-GOSISDBHSA-N 1 0 384.528 3.520 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC001339251686 1059041338 /nfs/dbraw/zinc/04/13/38/1059041338.db2.gz FNTARMHRUZNGOO-AUSIDOKSSA-N 1 0 392.551 3.715 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001339474683 1059241261 /nfs/dbraw/zinc/24/12/61/1059241261.db2.gz DPMCYQWNFAJJLP-MRXNPFEDSA-N 1 0 379.499 3.822 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C)C1 ZINC001340009669 1059615466 /nfs/dbraw/zinc/61/54/66/1059615466.db2.gz LKQFQNZBGPCQKX-VOQZNFBZSA-N 1 0 396.514 3.577 20 30 GHEDRO CC(C)[C@@H]1CN(c2nnc([C@H](C)CCC#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC001340074649 1059671919 /nfs/dbraw/zinc/67/19/19/1059671919.db2.gz UFVVRCPHUSYIOL-QUCCMNQESA-N 1 0 380.540 3.569 20 30 GHEDRO C=CCn1c(COC2CCC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001340153938 1059730148 /nfs/dbraw/zinc/73/01/48/1059730148.db2.gz FAGXIWQTFRVYRE-OALUTQOASA-N 1 0 387.572 3.624 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N3C[C@@H]4CC[C@H]3c3ccccc34)n2CC)CC1 ZINC001340184963 1059748495 /nfs/dbraw/zinc/74/84/95/1059748495.db2.gz QAVVNWVCLHVRAO-RXVVDRJESA-N 1 0 375.520 3.549 20 30 GHEDRO C=CCC[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC001340301756 1059840670 /nfs/dbraw/zinc/84/06/70/1059840670.db2.gz YHYMDIHXTCGIIN-JOCHJYFZSA-N 1 0 398.551 3.750 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2Cc2ccccc2)CC1 ZINC001340552990 1059972666 /nfs/dbraw/zinc/97/26/66/1059972666.db2.gz AYFNSKVRBDQTDR-VQTJNVASSA-N 1 0 392.551 3.512 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001340635384 1060007448 /nfs/dbraw/zinc/00/74/48/1060007448.db2.gz MHZVTNIZDRJAMA-UWJYYQICSA-N 1 0 393.535 3.861 20 30 GHEDRO CCn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001341071908 1060372485 /nfs/dbraw/zinc/37/24/85/1060372485.db2.gz ROHUIIXWWWXMKC-HSZRJFAPSA-N 1 0 396.583 3.868 20 30 GHEDRO CCn1c(CCCC#N)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001341186586 1060478377 /nfs/dbraw/zinc/47/83/77/1060478377.db2.gz LJOVJRIATQLQQX-RTWAWAEBSA-N 1 0 392.551 3.635 20 30 GHEDRO CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001341334190 1060588431 /nfs/dbraw/zinc/58/84/31/1060588431.db2.gz SIQBIAWASYSREK-VGOFRKELSA-N 1 0 396.514 3.670 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC2(CC2)CC1 ZINC001341681126 1060808788 /nfs/dbraw/zinc/80/87/88/1060808788.db2.gz YKNRZGRWAAGPFZ-HXUWFJFHSA-N 1 0 399.583 3.941 20 30 GHEDRO CCN(c1nnc([C@H](C)CCC#N)n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001341754958 1060863145 /nfs/dbraw/zinc/86/31/45/1060863145.db2.gz IONZDSXQEZXJEP-HBFSDRIKSA-N 1 0 380.540 3.884 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCc3ccsc3)CC2)c1 ZINC001341791248 1060897409 /nfs/dbraw/zinc/89/74/09/1060897409.db2.gz HLCSUNIVXGKJKV-UHFFFAOYSA-N 1 0 382.533 3.516 20 30 GHEDRO CON=Cc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)cc1 ZINC001452769615 1061008658 /nfs/dbraw/zinc/00/86/58/1061008658.db2.gz JHVROTYOWKWFAH-GBESFXJTSA-N 1 0 379.504 3.790 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001342035805 1061011381 /nfs/dbraw/zinc/01/13/81/1061011381.db2.gz OMHIQQLEGLYNGW-MSOLQXFVSA-N 1 0 389.588 3.836 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342151278 1061089199 /nfs/dbraw/zinc/08/91/99/1061089199.db2.gz ZPEUMAVLFPSAAQ-RTBURBONSA-N 1 0 389.588 3.837 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001342202045 1061130001 /nfs/dbraw/zinc/13/00/01/1061130001.db2.gz RFZABQBPMPPMQU-CQSZACIVSA-N 1 0 394.976 3.799 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342216951 1061142564 /nfs/dbraw/zinc/14/25/64/1061142564.db2.gz AXOYPSKVUMBVST-UHFFFAOYSA-N 1 0 384.572 3.791 20 30 GHEDRO C=CCn1c([C@@H](C)c2ccccn2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342224944 1061152633 /nfs/dbraw/zinc/15/26/33/1061152633.db2.gz GYLYYOVPATXSIQ-IBGZPJMESA-N 1 0 394.567 3.856 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001453642303 1061172999 /nfs/dbraw/zinc/17/29/99/1061172999.db2.gz OKDLWIHLDLOINV-RDJZCZTQSA-N 1 0 399.963 3.546 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342249298 1061174756 /nfs/dbraw/zinc/17/47/56/1061174756.db2.gz ZTLINUWWXDQXRY-WOJBJXKFSA-N 1 0 387.572 3.591 20 30 GHEDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc2c[nH+]cn2c1C ZINC001346064837 1061333764 /nfs/dbraw/zinc/33/37/64/1061333764.db2.gz JMRVWUZRVLCCBG-OAHLLOKOSA-N 1 0 396.834 3.574 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001346744305 1061844644 /nfs/dbraw/zinc/84/46/44/1061844644.db2.gz UZANSPILYLLDQI-UHFFFAOYSA-N 1 0 397.571 3.678 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001455078546 1061995887 /nfs/dbraw/zinc/99/58/87/1061995887.db2.gz MACIFQFAZXWXBP-HXUWFJFHSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)C)CC1 ZINC001347299049 1062279838 /nfs/dbraw/zinc/27/98/38/1062279838.db2.gz VZOSWRPLRRZPMF-SFHVURJKSA-N 1 0 395.555 3.760 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)CC1 ZINC001455946117 1062365097 /nfs/dbraw/zinc/36/50/97/1062365097.db2.gz QIVRWNBBZVLOMA-UHFFFAOYSA-N 1 0 396.922 3.539 20 30 GHEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001348950163 1063437439 /nfs/dbraw/zinc/43/74/39/1063437439.db2.gz BUKLSMICHIOUKA-UHFFFAOYSA-N 1 0 387.487 3.538 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CC2(c3ccccc3Cl)CCOCC2)c1 ZINC001348957632 1063442683 /nfs/dbraw/zinc/44/26/83/1063442683.db2.gz KQEJCMRCTDGFKU-UHFFFAOYSA-N 1 0 397.906 3.878 20 30 GHEDRO C=CCC[C@H]1CCCN1c1nnc(C2CC[NH+](C)CC2)n1C[C@@H]1CCCCO1 ZINC001349411093 1063704282 /nfs/dbraw/zinc/70/42/82/1063704282.db2.gz HYZZYTDGXSIAPF-PMACEKPBSA-N 1 0 387.572 3.591 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001458413312 1063790440 /nfs/dbraw/zinc/79/04/40/1063790440.db2.gz LTUOPFDWHGBMAL-QGZVFWFLSA-N 1 0 379.464 3.763 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cnn1C1CCCC1 ZINC001349645441 1063845160 /nfs/dbraw/zinc/84/51/60/1063845160.db2.gz YCJKKRZQOOBAPA-UHFFFAOYSA-N 1 0 391.519 3.573 20 30 GHEDRO C[NH+](C)CCOc1cc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)ccn1 ZINC001350478323 1064099466 /nfs/dbraw/zinc/09/94/66/1064099466.db2.gz SMJDSABKPKPGRZ-UHFFFAOYSA-N 1 0 387.439 3.780 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)cc(OC)c1 ZINC001459695565 1064173952 /nfs/dbraw/zinc/17/39/52/1064173952.db2.gz RDXZJRQHHZPAFX-LJQANCHMSA-N 1 0 395.503 3.921 20 30 GHEDRO N#Cc1cccc(C2(C(=O)Nc3ccc4oc(C[NH+]5CCCC5)nc4c3)CC2)c1 ZINC001350732563 1064175020 /nfs/dbraw/zinc/17/50/20/1064175020.db2.gz QZFIRYIVTZGMFO-UHFFFAOYSA-N 1 0 386.455 3.966 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)cc1C(F)(F)F ZINC001439222346 1064204913 /nfs/dbraw/zinc/20/49/13/1064204913.db2.gz FPOYKYXTEWFKKV-UHFFFAOYSA-N 1 0 382.773 3.939 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)C1=O ZINC001459833254 1064236688 /nfs/dbraw/zinc/23/66/88/1064236688.db2.gz IKHKNXGDEQOUIO-IHPCNDPISA-N 1 0 386.536 3.871 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1)cc2=O ZINC001459851340 1064242987 /nfs/dbraw/zinc/24/29/87/1064242987.db2.gz RGVCYDOKJVNNIZ-LJQANCHMSA-N 1 0 381.867 3.981 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC001463564247 1064464139 /nfs/dbraw/zinc/46/41/39/1064464139.db2.gz JYBNZLUNPDMXPU-FYYLOGMGSA-N 1 0 391.515 3.721 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(CNc2ncccc2C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC001464191190 1064899384 /nfs/dbraw/zinc/89/93/84/1064899384.db2.gz AKRRONKAEBSAGX-ZWKOTPCHSA-N 1 0 391.519 3.558 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)C(=O)/C=C\c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC001464581955 1065094933 /nfs/dbraw/zinc/09/49/33/1065094933.db2.gz FPZDUJLUIPGCIP-LUTRRODMSA-N 1 0 380.463 3.670 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Nc4cc[nH+]cc4)cc3)n2)c1 ZINC001300213847 1065717433 /nfs/dbraw/zinc/71/74/33/1065717433.db2.gz XLEHHPPYIYWCPX-UHFFFAOYSA-N 1 0 380.411 3.557 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001492561749 1065843831 /nfs/dbraw/zinc/84/38/31/1065843831.db2.gz AQRNIKVPAGNCBV-SFHVURJKSA-N 1 0 392.551 3.866 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300284412 1065923390 /nfs/dbraw/zinc/92/33/90/1065923390.db2.gz RPCJMKXVRJEUHB-SJORKVTESA-N 1 0 377.492 3.634 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001300295468 1065945921 /nfs/dbraw/zinc/94/59/21/1065945921.db2.gz IHMDCDMIFWCOFJ-WIYYLYMNSA-N 1 0 388.519 3.568 20 30 GHEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1cccc(Br)c1 ZINC001466105689 1065984507 /nfs/dbraw/zinc/98/45/07/1065984507.db2.gz WHFBWHRSEVRERH-INIZCTEOSA-N 1 0 388.265 3.633 20 30 GHEDRO Cc1cccc2c1O[C@@H](C(=O)OCC1(C#N)CC[NH+](Cc3ccccc3)CC1)C2 ZINC000847746146 1066019321 /nfs/dbraw/zinc/01/93/21/1066019321.db2.gz ADRHOWCTTVFYMV-OAQYLSRUSA-N 1 0 390.483 3.648 20 30 GHEDRO N#CC1(COC(=O)c2n[nH]c3c2CCCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847747512 1066021489 /nfs/dbraw/zinc/02/14/89/1066021489.db2.gz KHYWZQOHINXTEY-UHFFFAOYSA-N 1 0 392.503 3.641 20 30 GHEDRO C[N@@H+]1CC[C@@H](CCOC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000847817725 1066196120 /nfs/dbraw/zinc/19/61/20/1066196120.db2.gz BXSCTQMANNXVKZ-INIZCTEOSA-N 1 0 389.927 3.703 20 30 GHEDRO C#CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001300399391 1066219809 /nfs/dbraw/zinc/21/98/09/1066219809.db2.gz KIAZSPDPLWKKCY-SJORKVTESA-N 1 0 385.943 3.931 20 30 GHEDRO C#CCCCn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001300399775 1066221068 /nfs/dbraw/zinc/22/10/68/1066221068.db2.gz QTPIKQYBLGQYNO-LJQANCHMSA-N 1 0 395.526 3.810 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC001466738762 1066286922 /nfs/dbraw/zinc/28/69/22/1066286922.db2.gz WPTCKJLTVGWPGT-HSZRJFAPSA-N 1 0 389.499 3.511 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001467240945 1067172139 /nfs/dbraw/zinc/17/21/39/1067172139.db2.gz RFXIBFCLEVOPNW-SFHVURJKSA-N 1 0 380.467 3.992 20 30 GHEDRO CCCc1c(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cnn1-c1cccc(C#N)c1 ZINC001467253208 1067180363 /nfs/dbraw/zinc/18/03/63/1067180363.db2.gz KIYMJZNQUPQPQX-LAUBAEHRSA-N 1 0 377.492 3.652 20 30 GHEDRO COc1ncc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1C#N ZINC001467268805 1067189252 /nfs/dbraw/zinc/18/92/52/1067189252.db2.gz BOHRMLPYGVLSPZ-INIZCTEOSA-N 1 0 393.491 3.658 20 30 GHEDRO C#C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1ccc(Cl)cc1F ZINC001467734569 1067442793 /nfs/dbraw/zinc/44/27/93/1067442793.db2.gz MDNHZMKOARIDND-LJQANCHMSA-N 1 0 379.907 3.965 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001467828388 1067485426 /nfs/dbraw/zinc/48/54/26/1067485426.db2.gz HRFLIQJHZIJZCD-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](CCCC(C)(C)C#N)CCO2 ZINC000933826656 1067555100 /nfs/dbraw/zinc/55/51/00/1067555100.db2.gz WWECKYBOVCLVFO-UHFFFAOYSA-N 1 0 379.545 3.855 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001358886301 1067597054 /nfs/dbraw/zinc/59/70/54/1067597054.db2.gz BGZXKXAFXTWYRQ-OALUTQOASA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001358887627 1067597314 /nfs/dbraw/zinc/59/73/14/1067597314.db2.gz ZWPNQSKNUXJZGK-SFHVURJKSA-N 1 0 377.536 3.648 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001358895415 1067601710 /nfs/dbraw/zinc/60/17/10/1067601710.db2.gz IYNCBTHOAORUSZ-LAUBAEHRSA-N 1 0 397.542 3.911 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CC[NH+]1CCC(C)CC1 ZINC001358938498 1067621416 /nfs/dbraw/zinc/62/14/16/1067621416.db2.gz CBYFGTTWCYVQOM-NRFANRHFSA-N 1 0 379.552 3.621 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001358943066 1067623898 /nfs/dbraw/zinc/62/38/98/1067623898.db2.gz UFMWKGSQGFTJRN-SFHVURJKSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001358945205 1067625313 /nfs/dbraw/zinc/62/53/13/1067625313.db2.gz XSTRQFKPLRBZJF-KRWDZBQOSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001358951351 1067627730 /nfs/dbraw/zinc/62/77/30/1067627730.db2.gz SPXUFRCFEBGSEC-KRWDZBQOSA-N 1 0 385.581 3.510 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)[NH+](CC)CC ZINC001359000937 1067644373 /nfs/dbraw/zinc/64/43/73/1067644373.db2.gz HVJDTJBAOGZDKG-HXUWFJFHSA-N 1 0 393.579 3.938 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2C)n1CC[N@H+](C)C1CCCCC1 ZINC001359010908 1067651151 /nfs/dbraw/zinc/65/11/51/1067651151.db2.gz DKKLAQVPFDKICJ-UHFFFAOYSA-N 1 0 393.579 3.901 20 30 GHEDRO C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359012265 1067652939 /nfs/dbraw/zinc/65/29/39/1067652939.db2.gz FJLWTTIARVKJKH-OAQYLSRUSA-N 1 0 393.579 3.645 20 30 GHEDRO C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001359013287 1067653723 /nfs/dbraw/zinc/65/37/23/1067653723.db2.gz RSPIXUYJZPFJLA-UHFFFAOYSA-N 1 0 397.567 3.521 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC[N@@H+](C)[C@@H](C)CC ZINC001359068303 1067668971 /nfs/dbraw/zinc/66/89/71/1067668971.db2.gz VZXAUXSUWGFPFT-FDDCHVKYSA-N 1 0 395.551 3.676 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)[NH+](C)C ZINC001359107352 1067687735 /nfs/dbraw/zinc/68/77/35/1067687735.db2.gz KBHFGSNTTIZVOL-IRXDYDNUSA-N 1 0 389.519 3.910 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359112971 1067691719 /nfs/dbraw/zinc/69/17/19/1067691719.db2.gz WXQBKQCGXRUONB-ROUUACIJSA-N 1 0 389.588 3.836 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359124329 1067698370 /nfs/dbraw/zinc/69/83/70/1067698370.db2.gz XADFDZWQANVAAB-UXHICEINSA-N 1 0 397.567 3.969 20 30 GHEDRO C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359133993 1067702029 /nfs/dbraw/zinc/70/20/29/1067702029.db2.gz HCCVRYMHVVNJAP-UHFFFAOYSA-N 1 0 391.604 3.770 20 30 GHEDRO C=C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001359158699 1067716185 /nfs/dbraw/zinc/71/61/85/1067716185.db2.gz BWAVNCSCNAUJHH-ROUUACIJSA-N 1 0 389.588 3.620 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001359163943 1067719138 /nfs/dbraw/zinc/71/91/38/1067719138.db2.gz YMUKSNYTBQIELW-UHFFFAOYSA-N 1 0 382.556 3.562 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001359166997 1067720903 /nfs/dbraw/zinc/72/09/03/1067720903.db2.gz PRCHWDOXKANARZ-SFHVURJKSA-N 1 0 397.548 3.983 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001359166960 1067720939 /nfs/dbraw/zinc/72/09/39/1067720939.db2.gz OFYFOFNBWSVZTC-HXUWFJFHSA-N 1 0 394.567 3.685 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)CC1 ZINC001477801999 1078573144 /nfs/dbraw/zinc/57/31/44/1078573144.db2.gz LFZMXUHTRQRGOX-LJQANCHMSA-N 1 0 393.572 3.713 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001359176458 1067735453 /nfs/dbraw/zinc/73/54/53/1067735453.db2.gz AEQQBBCHPNNSNM-KRWDZBQOSA-N 1 0 395.551 3.839 20 30 GHEDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(C4(C#N)CC4)cc3)SC2=S)CC1 ZINC000849174313 1067753386 /nfs/dbraw/zinc/75/33/86/1067753386.db2.gz PUQSITQCJOQZSR-ATVHPVEESA-N 1 0 383.542 3.537 20 30 GHEDRO CCc1cc[n+](C(C(=O)C2C=CC(=NC(C)=O)C=C2)C(=S)NCC2CC2)cc1 ZINC000849175436 1067754061 /nfs/dbraw/zinc/75/40/61/1067754061.db2.gz GVECYSAPELQJAI-UHFFFAOYSA-O 1 0 396.536 3.518 20 30 GHEDRO C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359201298 1067768803 /nfs/dbraw/zinc/76/88/03/1067768803.db2.gz IXZGPOUKGHAVKG-GOSISDBHSA-N 1 0 382.556 3.940 20 30 GHEDRO C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359215744 1067791492 /nfs/dbraw/zinc/79/14/92/1067791492.db2.gz IOOWZGTWCPJZNV-HXUWFJFHSA-N 1 0 389.588 3.695 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC001468642336 1067802375 /nfs/dbraw/zinc/80/23/75/1067802375.db2.gz UQLBHVWHLVDMDQ-RCCFBDPRSA-N 1 0 394.494 3.890 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1CC1([NH+](C)C)CCCCC1 ZINC001359236411 1067842467 /nfs/dbraw/zinc/84/24/67/1067842467.db2.gz KMBZQLNBHBZLCM-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[NH+](CC)CC ZINC001359245434 1067867122 /nfs/dbraw/zinc/86/71/22/1067867122.db2.gz PBDOYFUCLOBNSL-QZTJIDSGSA-N 1 0 377.577 3.551 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC001359247775 1067885115 /nfs/dbraw/zinc/88/51/15/1067885115.db2.gz OWWPNXSFVTXLLZ-GOSISDBHSA-N 1 0 395.551 3.840 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849516508 1067887604 /nfs/dbraw/zinc/88/76/04/1067887604.db2.gz KINBOFVJNSPIOR-VXKWHMMOSA-N 1 0 396.535 3.828 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccc2F)n1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001359252135 1067904244 /nfs/dbraw/zinc/90/42/44/1067904244.db2.gz GJGKQVWOSAXCLD-UHFFFAOYSA-N 1 0 397.542 3.895 20 30 GHEDRO C=CCCc1ccccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849585530 1067914364 /nfs/dbraw/zinc/91/43/64/1067914364.db2.gz DAWDMVUIQIISIC-LEWJYISDSA-N 1 0 380.536 3.991 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCCC1)C(C)C ZINC001359265915 1067929010 /nfs/dbraw/zinc/92/90/10/1067929010.db2.gz ORKSGAGFBDLRML-FQEVSTJZSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CCc1cn2ccccc2n1 ZINC001359268254 1067931472 /nfs/dbraw/zinc/93/14/72/1067931472.db2.gz JSFGFRBADNOKDU-UHFFFAOYSA-N 1 0 388.475 3.915 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359274209 1067942974 /nfs/dbraw/zinc/94/29/74/1067942974.db2.gz FZRNNMGCURUAMI-QFIPXVFZSA-N 1 0 381.568 3.942 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359322401 1068031966 /nfs/dbraw/zinc/03/19/66/1068031966.db2.gz VCPQNKFMHZWLSZ-LJQANCHMSA-N 1 0 389.588 3.522 20 30 GHEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1[C@@H]1C[C@H]1CF ZINC001359712182 1068150332 /nfs/dbraw/zinc/15/03/32/1068150332.db2.gz JIJBBFDHAHXEBD-VQTJNVASSA-N 1 0 396.514 3.516 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001360097981 1068355575 /nfs/dbraw/zinc/35/55/75/1068355575.db2.gz FXKHWXIXWZFBMC-PZJWPPBQSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCC(CC#N)CC1)C(C)C ZINC001360129797 1068378370 /nfs/dbraw/zinc/37/83/70/1068378370.db2.gz VOHGNEFJUJHXBB-UHFFFAOYSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CC[N@H+](C)C1CCCCC1 ZINC001360471087 1068518924 /nfs/dbraw/zinc/51/89/24/1068518924.db2.gz ALWPFYLOEQOGDQ-GOSISDBHSA-N 1 0 380.540 3.948 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001360477836 1068524976 /nfs/dbraw/zinc/52/49/76/1068524976.db2.gz BXZPGSICJGUFEI-HKUYNNGSSA-N 1 0 382.556 3.908 20 30 GHEDRO C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCCCC[NH+]2CCCC2)C1 ZINC001360783337 1068627105 /nfs/dbraw/zinc/62/71/05/1068627105.db2.gz HXTSIBHEDAAPLO-QFIPXVFZSA-N 1 0 395.555 3.669 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951502 1068708883 /nfs/dbraw/zinc/70/88/83/1068708883.db2.gz ACRBSCLZOXYXDJ-PKOBYXMFSA-N 1 0 398.469 3.881 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)c2ccccc2)cc1 ZINC001460405591 1068954362 /nfs/dbraw/zinc/95/43/62/1068954362.db2.gz RHQVPLHHFFCSRL-XUZZJYLKSA-N 1 0 388.467 3.686 20 30 GHEDRO C=CCN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](C)COC ZINC001460411078 1068956732 /nfs/dbraw/zinc/95/67/32/1068956732.db2.gz YJUIBZWCARAFOC-HNNXBMFYSA-N 1 0 376.884 3.739 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC001460496246 1068980185 /nfs/dbraw/zinc/98/01/85/1068980185.db2.gz BLPIXCWCZCNOCT-SFHVURJKSA-N 1 0 389.421 3.755 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 ZINC001460658954 1069064760 /nfs/dbraw/zinc/06/47/60/1069064760.db2.gz RKDVIHGIAPFXET-LSTHTHJFSA-N 1 0 394.519 3.800 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)sc2C1 ZINC001460750869 1069155879 /nfs/dbraw/zinc/15/58/79/1069155879.db2.gz RQOJSFWUGSVEMA-RVKKMQEKSA-N 1 0 387.549 3.574 20 30 GHEDRO C#CC[N@@H+](CCCCC1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460776943 1069171486 /nfs/dbraw/zinc/17/14/86/1069171486.db2.gz CGPZLALGIYDCIE-UHFFFAOYSA-N 1 0 378.557 3.918 20 30 GHEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001460902035 1069264863 /nfs/dbraw/zinc/26/48/63/1069264863.db2.gz RLOKEGFUWCREHR-UHFFFAOYSA-N 1 0 381.402 3.513 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+]CCOc3ccccc3C#N)C(C)(C)[C@H]21 ZINC001460972792 1069307099 /nfs/dbraw/zinc/30/70/99/1069307099.db2.gz AIYFXAROJJFTBA-HOJAQTOUSA-N 1 0 399.535 3.951 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC001478505593 1078898047 /nfs/dbraw/zinc/89/80/47/1078898047.db2.gz PLFVKTPMEYGCRL-QETWGEEDSA-N 1 0 382.552 3.868 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001478555281 1078915783 /nfs/dbraw/zinc/91/57/83/1078915783.db2.gz BWRCDYBYTQKBQO-DEOSSOPVSA-N 1 0 393.506 3.883 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001470401270 1072530911 /nfs/dbraw/zinc/53/09/11/1072530911.db2.gz OSSVNEBXKMPAJM-UHFFFAOYSA-N 1 0 378.520 3.995 20 30 GHEDRO C[C@@H](NC(=O)NCC#CC[NH+](C)C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001470725709 1072708675 /nfs/dbraw/zinc/70/86/75/1072708675.db2.gz BZMMDJMHMXLCMI-RTBURBONSA-N 1 0 379.504 3.752 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1 ZINC001471036348 1072896574 /nfs/dbraw/zinc/89/65/74/1072896574.db2.gz MSFZRQXIMAEXHW-UHFFFAOYSA-N 1 0 393.915 3.561 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 ZINC001471308123 1073009460 /nfs/dbraw/zinc/00/94/60/1073009460.db2.gz JICJPTALFUMBDK-UHFFFAOYSA-N 1 0 387.487 3.897 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]([NH2+]C(C)C)c1ccc(OC)cc1 ZINC001472500027 1073516351 /nfs/dbraw/zinc/51/63/51/1073516351.db2.gz MDMURMBKAXOGFS-JOCHJYFZSA-N 1 0 382.504 3.958 20 30 GHEDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(C(F)(F)F)cc(C#N)n1 ZINC001472702684 1073627473 /nfs/dbraw/zinc/62/74/73/1073627473.db2.gz JQVZVKJCCSDAMR-HNNXBMFYSA-N 1 0 389.425 3.595 20 30 GHEDRO C=CCOCC[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001473145186 1073807029 /nfs/dbraw/zinc/80/70/29/1073807029.db2.gz FBMXKOGORPTGJD-UHFFFAOYSA-N 1 0 393.247 3.793 20 30 GHEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCC1)CC1(c2ccc(Br)cc2)CC1 ZINC001473179028 1073836081 /nfs/dbraw/zinc/83/60/81/1073836081.db2.gz FZTKGMVIQRYIIC-KRWDZBQOSA-N 1 0 377.326 3.857 20 30 GHEDRO CC[N@H+](Cc1cc(Br)ccc1O)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473190421 1073843078 /nfs/dbraw/zinc/84/30/78/1073843078.db2.gz CHXFJOKDOMWKCU-UHFFFAOYSA-N 1 0 390.237 3.957 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001473274789 1073901990 /nfs/dbraw/zinc/90/19/90/1073901990.db2.gz ISDMVHPTQQHVDE-OAQYLSRUSA-N 1 0 396.579 3.515 20 30 GHEDRO Cc1ccccc1[C@@H](C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC(C)C ZINC001473469605 1073980642 /nfs/dbraw/zinc/98/06/42/1073980642.db2.gz XYJNGOCWXCQKHP-GOSISDBHSA-N 1 0 385.533 3.755 20 30 GHEDRO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001473476331 1073982041 /nfs/dbraw/zinc/98/20/41/1073982041.db2.gz FUQALKPFXCGBIM-QGZVFWFLSA-N 1 0 396.922 3.604 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(C#N)cc2C)C[C@H]1c1ccc(F)cc1F ZINC001473571171 1074022201 /nfs/dbraw/zinc/02/22/01/1074022201.db2.gz WPJBXAKNLFTIGH-VQTJNVASSA-N 1 0 384.426 3.842 20 30 GHEDRO CCC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473714860 1074103520 /nfs/dbraw/zinc/10/35/20/1074103520.db2.gz MCPYZCJVASGNRS-JOCHJYFZSA-N 1 0 377.488 3.974 20 30 GHEDRO Cc1cccc(-c2noc(CC3CC[NH+](Cc4ccc(F)c(C#N)c4)CC3)n2)n1 ZINC001473796298 1074146450 /nfs/dbraw/zinc/14/64/50/1074146450.db2.gz ICZYFPXXILAZCE-UHFFFAOYSA-N 1 0 391.450 3.906 20 30 GHEDRO C=CCC1(O)CC[NH+](CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)CC1 ZINC001473809679 1074155388 /nfs/dbraw/zinc/15/53/88/1074155388.db2.gz PFLYZLOWMRDIBW-NRFANRHFSA-N 1 0 386.536 3.542 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc2ccccc21 ZINC001473862100 1074179156 /nfs/dbraw/zinc/17/91/56/1074179156.db2.gz CUDFSMIFSTWZFL-MRXNPFEDSA-N 1 0 394.496 3.845 20 30 GHEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl)C(C)C ZINC001473927361 1074206470 /nfs/dbraw/zinc/20/64/70/1074206470.db2.gz JTUVZBMXTPSMEL-GOSISDBHSA-N 1 0 375.948 3.718 20 30 GHEDRO Cn1c2cc(C[NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)ccc2oc1=O ZINC001474232399 1074302055 /nfs/dbraw/zinc/30/20/55/1074302055.db2.gz FYQJQWGEBLDBGR-UHFFFAOYSA-N 1 0 399.450 3.872 20 30 GHEDRO Fc1cc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)ccc1OCC(F)(F)F ZINC001474259942 1074314147 /nfs/dbraw/zinc/31/41/47/1074314147.db2.gz MJXNRCYHSZLKSJ-GFCCVEGCSA-N 1 0 388.327 3.883 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](C[C@H](C)CCC#N)C[C@H]1c1ccc(Br)cc1 ZINC001474590604 1074473955 /nfs/dbraw/zinc/47/39/55/1074473955.db2.gz FPRXGZMPTRAFMQ-XOKHGSTOSA-N 1 0 379.298 3.577 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493506512 1079274754 /nfs/dbraw/zinc/27/47/54/1079274754.db2.gz FGFHFDBSSKYQBA-FGSXEWAUSA-N 1 0 397.571 3.532 20 30 GHEDRO C[C@@H]1CCC[C@@](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC2)([NH+](C)C)C1 ZINC001493511888 1079275483 /nfs/dbraw/zinc/27/54/83/1079275483.db2.gz UNGKABSLJPTYOZ-WZONZLPQSA-N 1 0 392.551 3.927 20 30 GHEDRO CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC001474684642 1074513488 /nfs/dbraw/zinc/51/34/88/1074513488.db2.gz NDQFEZYAWNWWGR-UHFFFAOYSA-N 1 0 375.513 3.988 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c(Cl)c1 ZINC001474937844 1074641075 /nfs/dbraw/zinc/64/10/75/1074641075.db2.gz SIPLJYOMZQAUCJ-QGZVFWFLSA-N 1 0 395.956 3.535 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCC(C)CC1 ZINC001493865993 1079304788 /nfs/dbraw/zinc/30/47/88/1079304788.db2.gz MSKKEVPTALLTPV-XMSQKQJNSA-N 1 0 384.572 3.796 20 30 GHEDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001475955958 1075057146 /nfs/dbraw/zinc/05/71/46/1075057146.db2.gz YRSFMSKYEJKXTQ-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001495336004 1079401608 /nfs/dbraw/zinc/40/16/08/1079401608.db2.gz FALBRTPLEWJGPO-UZLBHIALSA-N 1 0 398.530 3.974 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001497836716 1079519212 /nfs/dbraw/zinc/51/92/12/1079519212.db2.gz RDLKKZNLOYNFIX-QGZVFWFLSA-N 1 0 382.556 3.691 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC001656466775 1126257883 /nfs/dbraw/zinc/25/78/83/1126257883.db2.gz QDQIPEQPAMQWQU-YLJYHZDGSA-N 1 0 395.421 3.884 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828161113 601300657 /nfs/dbraw/zinc/30/06/57/601300657.db2.gz MQYDRMAWOIEGMY-IXFSTUDKSA-N 1 0 391.515 3.952 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424874 718939641 /nfs/dbraw/zinc/93/96/41/718939641.db2.gz QWOYFCVJLMIEFQ-HIFRSBDPSA-N 1 0 395.240 3.881 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164627522 719046155 /nfs/dbraw/zinc/04/61/55/719046155.db2.gz VSUMGSDHWWVZPE-QFBILLFUSA-N 1 0 388.849 3.735 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627955 719051886 /nfs/dbraw/zinc/05/18/86/719051886.db2.gz WTQDZRCHEBJPDQ-DOTOQJQBSA-N 1 0 399.951 3.824 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(c1ccc(C[NH+]3CCCC3)cn1)[C@@H]2CC ZINC001164698591 719823390 /nfs/dbraw/zinc/82/33/90/719823390.db2.gz FGDROXYAOPLUCW-NFBKMPQASA-N 1 0 382.552 3.603 20 30 GHEDRO CCCc1cc(C#N)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164724700 720397222 /nfs/dbraw/zinc/39/72/22/720397222.db2.gz KWTQQDLOAKJIKC-RBUKOAKNSA-N 1 0 381.911 3.807 20 30 GHEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001164734911 720544758 /nfs/dbraw/zinc/54/47/58/720544758.db2.gz LHFPXJARQIICFQ-HNNXBMFYSA-N 1 0 398.885 3.668 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3ccc(C#N)cc31)CC2 ZINC001164791186 721492190 /nfs/dbraw/zinc/49/21/90/721492190.db2.gz CEVJPCWSRBIQMS-UHFFFAOYSA-N 1 0 398.514 3.777 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(F)cc3C#N)C[C@H]21 ZINC001165019626 721800260 /nfs/dbraw/zinc/80/02/60/721800260.db2.gz DJFNQDOSLWDSEW-LSBZLQRGSA-N 1 0 399.901 3.878 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4[nH]c(C#N)cc4n3)C[C@H]21 ZINC001165024486 721822094 /nfs/dbraw/zinc/82/20/94/721822094.db2.gz KEGQMANBJOJSAV-ZWDAVXSWSA-N 1 0 386.503 3.566 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000255066477 837492357 /nfs/dbraw/zinc/49/23/57/837492357.db2.gz DUUUNUXDUOUGAI-GMAFFVFYSA-N 1 0 397.482 3.854 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000581357493 837503900 /nfs/dbraw/zinc/50/39/00/837503900.db2.gz BCGXFEORQQWBAA-ZWKOTPCHSA-N 1 0 376.460 3.732 20 30 GHEDRO CC[N@H+](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(C)C ZINC000581658760 837576440 /nfs/dbraw/zinc/57/64/40/837576440.db2.gz IYFMGEVEDUJORD-UHFFFAOYSA-N 1 0 390.959 3.665 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000180892913 837666481 /nfs/dbraw/zinc/66/64/81/837666481.db2.gz GOPMCVNZFRIFAC-QGZVFWFLSA-N 1 0 391.496 3.745 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)ccc21 ZINC000581868469 837736941 /nfs/dbraw/zinc/73/69/41/837736941.db2.gz VUNOMYSUCSGZEI-DYESRHJHSA-N 1 0 392.478 3.711 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Br)s1)NCc1sc(C)nc1C ZINC000262341941 834615116 /nfs/dbraw/zinc/61/51/16/834615116.db2.gz CTDVELGDTDYBNS-UHFFFAOYSA-N 1 0 387.372 3.839 20 30 GHEDRO N#Cc1c(Cl)nsc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000091675933 834649751 /nfs/dbraw/zinc/64/97/51/834649751.db2.gz JBXQKBCDRWNHQV-UHFFFAOYSA-N 1 0 387.940 3.812 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)C1 ZINC000329272174 834690884 /nfs/dbraw/zinc/69/08/84/834690884.db2.gz ACAADSLRTZXYIC-XFQXTVEOSA-N 1 0 391.943 3.936 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC(c4cc(F)cc(F)c4)C3)C2=O)cc1 ZINC000583591328 834711091 /nfs/dbraw/zinc/71/10/91/834711091.db2.gz KSFKWMGVXRIYNH-IOYBJCICSA-N 1 0 381.426 3.868 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccccc1C ZINC000052485601 834807147 /nfs/dbraw/zinc/80/71/47/834807147.db2.gz QBCAOTJKIQOACF-UHFFFAOYSA-N 1 0 399.564 3.532 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000246272297 834851469 /nfs/dbraw/zinc/85/14/69/834851469.db2.gz HFHZSSMRSBONTF-FGZHOGPDSA-N 1 0 384.568 3.505 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583755829 834994595 /nfs/dbraw/zinc/99/45/95/834994595.db2.gz GDOVPBUBKJZXLF-OAQYLSRUSA-N 1 0 378.476 3.857 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2c(F)cc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000510086045 835040219 /nfs/dbraw/zinc/04/02/19/835040219.db2.gz OOSAFHJJYGEWDY-NVXWUHKLSA-N 1 0 383.442 3.867 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611966857 835179051 /nfs/dbraw/zinc/17/90/51/835179051.db2.gz AVMDRZUUGNKJKJ-HOTGVXAUSA-N 1 0 390.487 3.975 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000052684980 835247410 /nfs/dbraw/zinc/24/74/10/835247410.db2.gz BEUFKYDJLYSCML-GOSISDBHSA-N 1 0 382.508 3.645 20 30 GHEDRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329562085 835254160 /nfs/dbraw/zinc/25/41/60/835254160.db2.gz JJROBVIUBVICLE-SJORKVTESA-N 1 0 393.413 3.653 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000433339308 844035251 /nfs/dbraw/zinc/03/52/51/844035251.db2.gz KPVCHYKEBKJYPA-OAHLLOKOSA-N 1 0 379.439 3.857 20 30 GHEDRO C=C[C@@H](CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000536168717 835286208 /nfs/dbraw/zinc/28/62/08/835286208.db2.gz FSDVPWKHQNBJII-NRFANRHFSA-N 1 0 377.532 3.675 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H](C)N(C)CCOCc2ccc(C#N)cc2)c(Cl)c1 ZINC000583958299 835304097 /nfs/dbraw/zinc/30/40/97/835304097.db2.gz IOIDZTHTNFUNEI-MRXNPFEDSA-N 1 0 385.895 3.996 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(-c2ccncc2)n1 ZINC000278545214 835360329 /nfs/dbraw/zinc/36/03/29/835360329.db2.gz ARFJMYCIWBDDSF-UHFFFAOYSA-N 1 0 393.878 3.737 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000151293938 835360893 /nfs/dbraw/zinc/36/08/93/835360893.db2.gz LXHKQDKNVUZFBT-QIJUGHKUSA-N 1 0 376.504 3.994 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248146118 835429404 /nfs/dbraw/zinc/42/94/04/835429404.db2.gz QFBOKFZJGWCFKK-RHSMWYFYSA-N 1 0 382.426 3.827 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@](C)(C#N)C3)cc2)C1 ZINC000612107895 835501235 /nfs/dbraw/zinc/50/12/35/835501235.db2.gz VDBWYYZJIBAVDK-DNVFCKCGSA-N 1 0 382.552 4.000 20 30 GHEDRO C[NH+](C)CCn1c(=O)oc2ccc(N=Cc3c(O)ccc4ccccc43)cc21 ZINC000255671152 835519463 /nfs/dbraw/zinc/51/94/63/835519463.db2.gz HYYMECSCGVONAP-UHFFFAOYSA-N 1 0 375.428 3.766 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]4COCC[C@@H]43)sc2C1 ZINC000584099423 835587624 /nfs/dbraw/zinc/58/76/24/835587624.db2.gz NSXPTQSYHAMELI-VKJFTORMSA-N 1 0 387.549 3.574 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611804972 835648972 /nfs/dbraw/zinc/64/89/72/835648972.db2.gz QSQZWGACCFOHML-UZUQRXQVSA-N 1 0 389.499 3.513 20 30 GHEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000612137638 835651120 /nfs/dbraw/zinc/65/11/20/835651120.db2.gz KUXWLXQMSDMMQM-WGGBDISSSA-N 1 0 380.488 3.584 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2cccc(C)c2)s1 ZINC000134217572 835706270 /nfs/dbraw/zinc/70/62/70/835706270.db2.gz VKTPRYIVTRCPSR-INIZCTEOSA-O 1 0 389.566 3.750 20 30 GHEDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000278678136 835769935 /nfs/dbraw/zinc/76/99/35/835769935.db2.gz OTXZRIJVGWMGAZ-UHFFFAOYSA-N 1 0 390.491 3.721 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000179594279 835895457 /nfs/dbraw/zinc/89/54/57/835895457.db2.gz CRFQABSKORQYHK-PBPGXSGUSA-N 1 0 395.503 3.881 20 30 GHEDRO C#CCOCCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000162164294 835898260 /nfs/dbraw/zinc/89/82/60/835898260.db2.gz RMDPNXWESBMMDT-UHFFFAOYSA-N 1 0 376.500 3.606 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000547748914 836013206 /nfs/dbraw/zinc/01/32/06/836013206.db2.gz XANNBRUUNCPCCQ-LJQANCHMSA-N 1 0 378.476 3.596 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000151314612 836020798 /nfs/dbraw/zinc/02/07/98/836020798.db2.gz PDONJMAMVFPGGY-IPJJNNNSSA-N 1 0 398.551 3.562 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@](C)(C#N)C1)C1CCCCC1 ZINC000612272886 836045802 /nfs/dbraw/zinc/04/58/02/836045802.db2.gz XRNLLLPCDLMJQX-HSZRJFAPSA-N 1 0 396.535 3.542 20 30 GHEDRO N#Cc1cnc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC000612357804 836113100 /nfs/dbraw/zinc/11/31/00/836113100.db2.gz IWCLFSYUOUKKEQ-CMKODMSKSA-N 1 0 394.906 3.637 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000612372281 836129916 /nfs/dbraw/zinc/12/99/16/836129916.db2.gz NOSZFCBNZZHSOF-IEBWSBKVSA-N 1 0 394.441 3.615 20 30 GHEDRO Cc1cc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)s1 ZINC000065930004 836254725 /nfs/dbraw/zinc/25/47/25/836254725.db2.gz DYJRKNNFYQBRQW-UHFFFAOYSA-N 1 0 397.544 3.790 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)ccc1Cl ZINC000613388593 836256425 /nfs/dbraw/zinc/25/64/25/836256425.db2.gz BLMKOOMXKLRSGX-UTKZUKDTSA-N 1 0 399.922 3.649 20 30 GHEDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930098 836256925 /nfs/dbraw/zinc/25/69/25/836256925.db2.gz CEWCBARRBDCCDE-MRXNPFEDSA-N 1 0 385.895 3.569 20 30 GHEDRO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+](C2CC2)C1 ZINC000582402159 836288332 /nfs/dbraw/zinc/28/83/32/836288332.db2.gz OGALTIZYMJZTGM-KRWDZBQOSA-N 1 0 375.472 3.907 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000613420797 836341226 /nfs/dbraw/zinc/34/12/26/836341226.db2.gz WKUFNLCHCAGLDP-UHFFFAOYSA-N 1 0 378.520 3.820 20 30 GHEDRO C[C@](O)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000155071170 836346094 /nfs/dbraw/zinc/34/60/94/836346094.db2.gz BRRWXSCUGUHVPB-QFIPXVFZSA-N 1 0 383.923 3.673 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccc(C#N)cc1 ZINC000548936117 836347280 /nfs/dbraw/zinc/34/72/80/836347280.db2.gz KFFLFDIEQRJHGY-MGPUTAFESA-N 1 0 376.485 3.571 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000613426142 836355883 /nfs/dbraw/zinc/35/58/83/836355883.db2.gz AEYVIFWOOWOBTN-AWEZNQCLSA-N 1 0 382.537 3.795 20 30 GHEDRO Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)n1 ZINC000328653397 836549401 /nfs/dbraw/zinc/54/94/01/836549401.db2.gz LDMWXRNQNQSBRD-JOCHJYFZSA-N 1 0 395.551 3.506 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)CC1 ZINC000180001357 836568695 /nfs/dbraw/zinc/56/86/95/836568695.db2.gz AMANNNLPBLITGZ-NRFANRHFSA-N 1 0 391.563 3.903 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175513933 836598544 /nfs/dbraw/zinc/59/85/44/836598544.db2.gz UEBULYUIGTYIQN-UYAOXDASSA-N 1 0 382.533 3.844 20 30 GHEDRO CC(C)C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(C(F)(F)F)c1 ZINC000255055719 836601827 /nfs/dbraw/zinc/60/18/27/836601827.db2.gz DTGMAITVEMPJOB-RUNIHZNKSA-N 1 0 395.425 3.909 20 30 GHEDRO CCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCc2ccccc2C1 ZINC001167164211 836745645 /nfs/dbraw/zinc/74/56/45/836745645.db2.gz QGSFDFUVEPVXBI-NRFANRHFSA-N 1 0 386.495 3.556 20 30 GHEDRO C=CCOc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000175295250 836746383 /nfs/dbraw/zinc/74/63/83/836746383.db2.gz QYDIZSRHRZMFBL-UHFFFAOYSA-N 1 0 395.503 3.654 20 30 GHEDRO CC(C)Oc1cccc([C@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180224924 836758684 /nfs/dbraw/zinc/75/86/84/836758684.db2.gz GOWNDOYBVPQXJS-JOCHJYFZSA-N 1 0 390.487 3.569 20 30 GHEDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658929670 836794660 /nfs/dbraw/zinc/79/46/60/836794660.db2.gz KHFBXZGFDOGUBS-GFCCVEGCSA-N 1 0 386.311 3.848 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000119465972 836868064 /nfs/dbraw/zinc/86/80/64/836868064.db2.gz ILQKLAYKZQHZQV-CVEARBPZSA-N 1 0 387.499 3.996 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000119466312 836868209 /nfs/dbraw/zinc/86/82/09/836868209.db2.gz ILQKLAYKZQHZQV-HZPDHXFCSA-N 1 0 387.499 3.996 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CCn4cncc4C3)cc2F)c1 ZINC000582814626 836883467 /nfs/dbraw/zinc/88/34/67/836883467.db2.gz COJDYCLVAHXFQW-UHFFFAOYSA-N 1 0 391.406 3.521 20 30 GHEDRO C=CC[N@@H+](CCOc1ccc(/C=C\C(=O)OC)cc1)Cc1cccc(C#N)c1 ZINC001167252275 837045722 /nfs/dbraw/zinc/04/57/22/837045722.db2.gz YYQWEDIUFMJKKH-XFXZXTDPSA-N 1 0 376.456 3.811 20 30 GHEDRO C[C@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000027488149 837054583 /nfs/dbraw/zinc/05/45/83/837054583.db2.gz XCSISIRDYYBLCG-MAUKXSAKSA-O 1 0 398.508 3.989 20 30 GHEDRO Cc1cccc(-c2noc([C@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)c1Cl ZINC001211641035 837078329 /nfs/dbraw/zinc/07/83/29/837078329.db2.gz VVICTKKBWFOIPH-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180360946 837161225 /nfs/dbraw/zinc/16/12/25/837161225.db2.gz LHOBRLVFKNZTJJ-FQEVSTJZSA-N 1 0 391.906 3.981 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(Br)c1 ZINC000181117041 837843737 /nfs/dbraw/zinc/84/37/37/837843737.db2.gz ZOHBTVJXCNDRED-INIZCTEOSA-N 1 0 396.292 3.743 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1OCC(=O)N(C)C ZINC000728711423 837919554 /nfs/dbraw/zinc/91/95/54/837919554.db2.gz CXNBNFIMWGTKCR-DYESRHJHSA-N 1 0 395.503 3.685 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(c4ccc(Cl)cc4Cl)C3)n2c1 ZINC000188935829 837996748 /nfs/dbraw/zinc/99/67/48/837996748.db2.gz YJYPAMPFSKVFSM-HNNXBMFYSA-N 1 0 386.286 3.881 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433457431 844283060 /nfs/dbraw/zinc/28/30/60/844283060.db2.gz PHUSTLVNQSKVIV-HNNXBMFYSA-N 1 0 385.961 3.600 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000415798592 838114686 /nfs/dbraw/zinc/11/46/86/838114686.db2.gz BCGGWVZPXSGKRH-IUODEOHRSA-N 1 0 382.302 3.605 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415799072 838115151 /nfs/dbraw/zinc/11/51/51/838115151.db2.gz BSMQEURPLSOOCD-AWEZNQCLSA-N 1 0 384.318 3.851 20 30 GHEDRO Cc1cc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)ncc1C#N ZINC000578961018 838253826 /nfs/dbraw/zinc/25/38/26/838253826.db2.gz CJXPMJSHLSERJK-UHFFFAOYSA-N 1 0 384.867 3.640 20 30 GHEDRO C[N@H+](CCCCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(C#N)c1 ZINC000782900905 838323925 /nfs/dbraw/zinc/32/39/25/838323925.db2.gz DPZLDBSHNCIUON-UHFFFAOYSA-N 1 0 375.472 3.847 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000180064169 838504450 /nfs/dbraw/zinc/50/44/50/838504450.db2.gz RVTKYGUABAWJES-WBVHZDCISA-N 1 0 384.505 3.998 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000510313850 838566958 /nfs/dbraw/zinc/56/69/58/838566958.db2.gz HUHVPJGZWZVJIM-UHFFFAOYSA-N 1 0 392.425 3.661 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175862801 838600445 /nfs/dbraw/zinc/60/04/45/838600445.db2.gz IDICQNBNEHVZDX-RBUKOAKNSA-N 1 0 383.517 3.927 20 30 GHEDRO N#C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000416161724 838647509 /nfs/dbraw/zinc/64/75/09/838647509.db2.gz RQKSTSBUNXDGGC-LJQANCHMSA-N 1 0 387.405 3.835 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610358081 838665234 /nfs/dbraw/zinc/66/52/34/838665234.db2.gz YHABKMIVJDGOFO-MOPGFXCFSA-N 1 0 376.504 3.925 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]CCOc3cccc(C#N)c3)CCN2C2CC2)c1 ZINC000549119550 838677331 /nfs/dbraw/zinc/67/73/31/838677331.db2.gz YXCAEPWBQXJZSY-PKTZIBPZSA-N 1 0 377.488 3.513 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000580066548 838792356 /nfs/dbraw/zinc/79/23/56/838792356.db2.gz VOLALLVEPZFPBL-RXVVDRJESA-N 1 0 381.520 3.603 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000560997683 838902350 /nfs/dbraw/zinc/90/23/50/838902350.db2.gz MDXSCFMNXOMOGH-MAUKXSAKSA-N 1 0 380.423 3.705 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)Cc2c(F)cccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000579480562 839043795 /nfs/dbraw/zinc/04/37/95/839043795.db2.gz GOLCGOVNWXSWLP-MJGOQNOKSA-N 1 0 379.479 3.657 20 30 GHEDRO Cc1oc(NC(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549165527 839115384 /nfs/dbraw/zinc/11/53/84/839115384.db2.gz LDISDORBHMSVJD-FQEVSTJZSA-N 1 0 394.519 3.597 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000415083332 839178858 /nfs/dbraw/zinc/17/88/58/839178858.db2.gz NBMSIPJFDLEKPJ-YJBOKZPZSA-N 1 0 394.475 3.950 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415121270 839241010 /nfs/dbraw/zinc/24/10/10/839241010.db2.gz JPYXHBCFSBYUIC-VQIMIIECSA-N 1 0 378.476 3.647 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415128207 839252713 /nfs/dbraw/zinc/25/27/13/839252713.db2.gz SNYSFLNEMGYLSG-LJQANCHMSA-N 1 0 380.492 3.941 20 30 GHEDRO Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1OCC[NH+](C)C ZINC000458195748 844417346 /nfs/dbraw/zinc/41/73/46/844417346.db2.gz LQEHCOMOBXLXLC-UHFFFAOYSA-N 1 0 383.517 3.679 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000415151358 839292761 /nfs/dbraw/zinc/29/27/61/839292761.db2.gz ANXWSGIBKGSRIR-BPQIPLTHSA-N 1 0 380.517 3.897 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000415162412 839305866 /nfs/dbraw/zinc/30/58/66/839305866.db2.gz NXRMNFRECNVPBD-UONOGXRCSA-N 1 0 382.489 3.535 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610433573 839339891 /nfs/dbraw/zinc/33/98/91/839339891.db2.gz ULQPWTGYKUSGFO-NZQKXSOJSA-N 1 0 390.531 3.528 20 30 GHEDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(Br)c1 ZINC000119048146 839394501 /nfs/dbraw/zinc/39/45/01/839394501.db2.gz WRQSIOGBVYHXKN-UHFFFAOYSA-N 1 0 385.309 3.783 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000584575805 839488246 /nfs/dbraw/zinc/48/82/46/839488246.db2.gz XPSCOBDLPGXHHO-HNNXBMFYSA-N 1 0 394.313 3.716 20 30 GHEDRO Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000580443095 839568732 /nfs/dbraw/zinc/56/87/32/839568732.db2.gz IKKOINVPPVWWEK-MRXNPFEDSA-N 1 0 379.439 3.648 20 30 GHEDRO COCC(=O)Nc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000535784768 844451137 /nfs/dbraw/zinc/45/11/37/844451137.db2.gz HFVPGQKIAYFXSY-UHFFFAOYSA-N 1 0 377.488 3.765 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1C#N ZINC000477961709 844476265 /nfs/dbraw/zinc/47/62/65/844476265.db2.gz GSPKQWXBMJSCRS-LJQANCHMSA-N 1 0 384.455 3.909 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000155791402 839849368 /nfs/dbraw/zinc/84/93/68/839849368.db2.gz QHVANSOBKWNHMK-UHFFFAOYSA-N 1 0 376.953 3.768 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)F ZINC000415535874 839925888 /nfs/dbraw/zinc/92/58/88/839925888.db2.gz DQCZKXLTRIXZSF-UWVGGRQHSA-N 1 0 393.278 3.591 20 30 GHEDRO CCCc1c(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)cnn1-c1cccc(C#N)c1 ZINC000415557828 839972684 /nfs/dbraw/zinc/97/26/84/839972684.db2.gz DLKLLVVAVKRCNW-OAQYLSRUSA-N 1 0 382.512 3.581 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1Oc1ccccc1 ZINC000579818693 840077930 /nfs/dbraw/zinc/07/79/30/840077930.db2.gz QPXSPTKCYDLLPM-RBZQAINGSA-N 1 0 391.515 3.742 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000068883767 840206717 /nfs/dbraw/zinc/20/67/17/840206717.db2.gz DNSGYBPQHHJJOP-UHFFFAOYSA-N 1 0 382.464 3.554 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000566694866 840257679 /nfs/dbraw/zinc/25/76/79/840257679.db2.gz VHTSFXLUJZIOHK-VGOFRKELSA-N 1 0 391.490 3.898 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CC1 ZINC000433522979 844550045 /nfs/dbraw/zinc/55/00/45/844550045.db2.gz YHJBVMMHWSWFSG-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO COc1ccc([C@@H](CCn2cncn2)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417371322 840787098 /nfs/dbraw/zinc/78/70/98/840787098.db2.gz ULJDQFYMCLNYIK-PKTZIBPZSA-N 1 0 387.487 3.957 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C[NH+]1CCCCC1 ZINC000511628285 840868926 /nfs/dbraw/zinc/86/89/26/840868926.db2.gz SBLKXXBACMUVQJ-CQSZACIVSA-N 1 0 398.429 3.743 20 30 GHEDRO C=C(C)Cn1c(-c2c(OC)cccc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000417503693 840928919 /nfs/dbraw/zinc/92/89/19/840928919.db2.gz MFUSAEHSTAYXGA-UHFFFAOYSA-N 1 0 399.539 3.505 20 30 GHEDRO COc1cc(C)c(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000124802655 841027897 /nfs/dbraw/zinc/02/78/97/841027897.db2.gz NXBCNYNPEUEEOL-UHFFFAOYSA-N 1 0 379.504 3.592 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000660705157 841115417 /nfs/dbraw/zinc/11/54/17/841115417.db2.gz SFLHNENTOITNTR-KRWDZBQOSA-N 1 0 378.314 3.556 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(CC)cc1 ZINC000027321975 841380760 /nfs/dbraw/zinc/38/07/60/841380760.db2.gz XSIROIDRUWUSMR-UHFFFAOYSA-O 1 0 383.537 3.800 20 30 GHEDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000329251702 861207853 /nfs/dbraw/zinc/20/78/53/861207853.db2.gz YDRMZVXFNBCYGW-ZHALLVOQSA-N 1 0 378.561 3.821 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000593760903 861208472 /nfs/dbraw/zinc/20/84/72/861208472.db2.gz IAHVIZMBCHOEBU-UHFFFAOYSA-N 1 0 394.475 3.870 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000045186974 841607559 /nfs/dbraw/zinc/60/75/59/841607559.db2.gz LVYUTVNTYWDTCV-UHFFFAOYSA-N 1 0 376.504 3.886 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000651822024 841661396 /nfs/dbraw/zinc/66/13/96/841661396.db2.gz HJEIIICLWKQMLC-OPYAIIAOSA-N 1 0 390.593 3.950 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329270459 861229734 /nfs/dbraw/zinc/22/97/34/861229734.db2.gz HCLRMEPRYGHTHF-HXUWFJFHSA-N 1 0 381.524 3.637 20 30 GHEDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000329275399 861232712 /nfs/dbraw/zinc/23/27/12/861232712.db2.gz BMPMAKIHNVTANH-SFHVURJKSA-N 1 0 399.535 3.948 20 30 GHEDRO C#CCO[C@H](C)C(=O)N(CC[NH+](CC)CC)Cc1ccc(Cl)c(Cl)c1 ZINC001125936671 841863745 /nfs/dbraw/zinc/86/37/45/841863745.db2.gz UZWFRGXWXOHXKI-OAHLLOKOSA-N 1 0 385.335 3.702 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC(C)C)cc1 ZINC000193075307 841874202 /nfs/dbraw/zinc/87/42/02/841874202.db2.gz DSQAXBBIITYPGI-UHFFFAOYSA-O 1 0 386.497 3.690 20 30 GHEDRO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662888626 841902742 /nfs/dbraw/zinc/90/27/42/841902742.db2.gz CCDKOWFNIXOOIW-SNVBAGLBSA-N 1 0 388.274 3.698 20 30 GHEDRO C#Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Cl)c1 ZINC000933376508 842055145 /nfs/dbraw/zinc/05/51/45/842055145.db2.gz XZLRAMHWKSQAOS-UHFFFAOYSA-N 1 0 397.906 3.600 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3nccs3)sc2C1 ZINC000157902108 842066410 /nfs/dbraw/zinc/06/64/10/842066410.db2.gz ZUXKTQQPKIHRCY-CYBMUJFWSA-N 1 0 388.562 3.704 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc(NC(N)=O)cc2)c1 ZINC000066905040 842091195 /nfs/dbraw/zinc/09/11/95/842091195.db2.gz DRPWHLZXMGOMEY-UHFFFAOYSA-N 1 0 386.455 3.918 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1C#N ZINC000157911548 842116173 /nfs/dbraw/zinc/11/61/73/842116173.db2.gz QXIOCBBRMFZYDZ-UHFFFAOYSA-N 1 0 384.455 3.868 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661863400 842248246 /nfs/dbraw/zinc/24/82/46/842248246.db2.gz HNVFUYHEXBONJS-PXNSSMCTSA-N 1 0 376.566 3.932 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccc(F)cc3)c3cccnc3)CC2)nc1 ZINC000585794131 842319062 /nfs/dbraw/zinc/31/90/62/842319062.db2.gz HACPLSOYUWRUKJ-HSZRJFAPSA-N 1 0 387.462 3.835 20 30 GHEDRO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@@H]1COCCN1C1CCCC1 ZINC000329337395 861298467 /nfs/dbraw/zinc/29/84/67/861298467.db2.gz MMIAOFIAGZMCID-KSZLIROESA-N 1 0 380.435 3.744 20 30 GHEDRO N#Cc1cc(F)c(N2CCC(OCC[NH+]3CCCC3)CC2)cc1Br ZINC000570816728 842360259 /nfs/dbraw/zinc/36/02/59/842360259.db2.gz UDBRBMIQXQOHIB-UHFFFAOYSA-N 1 0 396.304 3.541 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)C1=O ZINC000328828940 842373114 /nfs/dbraw/zinc/37/31/14/842373114.db2.gz QTYNFDSEUDVQRA-MJGOQNOKSA-N 1 0 386.540 3.549 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)CCCC[NH+](C)C ZINC000656980607 842527427 /nfs/dbraw/zinc/52/74/27/842527427.db2.gz OAYBLVFLWNKYHW-UHFFFAOYSA-N 1 0 384.318 3.819 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(F)c1F ZINC000165888550 842562115 /nfs/dbraw/zinc/56/21/15/842562115.db2.gz OUHSQPNFQWEBDW-OAHLLOKOSA-N 1 0 386.446 3.671 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1cccs1 ZINC000512158086 842673208 /nfs/dbraw/zinc/67/32/08/842673208.db2.gz JBVOMZGOAHXFIZ-XLIONFOSSA-N 1 0 385.508 3.621 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000249134030 842712709 /nfs/dbraw/zinc/71/27/09/842712709.db2.gz YMGXVTFYXCPFCQ-KKXDTOCCSA-N 1 0 393.890 3.630 20 30 GHEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329372032 861341549 /nfs/dbraw/zinc/34/15/49/861341549.db2.gz MJXATEDDSFLLAT-IKLNAOFOSA-N 1 0 394.519 3.842 20 30 GHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000510589330 843010026 /nfs/dbraw/zinc/01/00/26/843010026.db2.gz FIXNFVJDGGHKGD-JOCHJYFZSA-N 1 0 391.515 3.541 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OCc2nccn2C)cc1 ZINC000512195106 843014041 /nfs/dbraw/zinc/01/40/41/843014041.db2.gz KEFGQKRTTHWUQA-UHFFFAOYSA-N 1 0 381.476 3.663 20 30 GHEDRO CC[C@H](C)Oc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000067010964 843021398 /nfs/dbraw/zinc/02/13/98/843021398.db2.gz PZTWEKUOVHCMML-KRWDZBQOSA-N 1 0 394.519 3.898 20 30 GHEDRO CN(C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)C1(C#N)CCCCC1 ZINC000512209668 843097351 /nfs/dbraw/zinc/09/73/51/843097351.db2.gz AVNSLVRCFLSDRA-QGZVFWFLSA-N 1 0 398.334 3.691 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000477761124 843113786 /nfs/dbraw/zinc/11/37/86/843113786.db2.gz NPKXXAFUCXFOMP-KRWDZBQOSA-N 1 0 398.894 3.726 20 30 GHEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000161693665 843122789 /nfs/dbraw/zinc/12/27/89/843122789.db2.gz FZAQPHWQJKZAGB-QGZVFWFLSA-N 1 0 391.519 3.546 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1Cl ZINC000510652326 843132258 /nfs/dbraw/zinc/13/22/58/843132258.db2.gz WIMRJCGAFYFNEB-NRFANRHFSA-N 1 0 397.906 3.912 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000500441392 843148897 /nfs/dbraw/zinc/14/88/97/843148897.db2.gz LKYXAKKEQLLDGO-SFHVURJKSA-N 1 0 375.582 3.602 20 30 GHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000481450751 861387477 /nfs/dbraw/zinc/38/74/77/861387477.db2.gz YAJZMELYMDRYHN-SJKOYZFVSA-N 1 0 377.897 3.968 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)CCC[NH2+]1 ZINC000662434335 843234895 /nfs/dbraw/zinc/23/48/95/843234895.db2.gz PNZMNZXBFXDUNC-QFIPXVFZSA-N 1 0 379.460 3.584 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000555606622 861397310 /nfs/dbraw/zinc/39/73/10/861397310.db2.gz MYFLSOPGGHWCRR-GFCCVEGCSA-N 1 0 393.281 3.974 20 30 GHEDRO CCC[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCOC1 ZINC000512291074 843324794 /nfs/dbraw/zinc/32/47/94/843324794.db2.gz DOPCDPKKOTXMFR-HXUWFJFHSA-N 1 0 375.538 3.766 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000510748613 843397507 /nfs/dbraw/zinc/39/75/07/843397507.db2.gz QJLIVZWDMOJSBF-OALUTQOASA-N 1 0 398.551 3.885 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662612314 843432606 /nfs/dbraw/zinc/43/26/06/843432606.db2.gz OHWXWTLFBOTJIC-JOCHJYFZSA-N 1 0 385.508 3.851 20 30 GHEDRO Cc1cccc([C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)C)c1 ZINC000599629552 861418377 /nfs/dbraw/zinc/41/83/77/861418377.db2.gz IWUOJETVQBNYSP-QFIPXVFZSA-N 1 0 387.487 3.978 20 30 GHEDRO CSc1ccccc1NC(=O)CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599633738 861425976 /nfs/dbraw/zinc/42/59/76/861425976.db2.gz JVDFSTGMOOTLBX-UHFFFAOYSA-N 1 0 395.528 3.904 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000481992182 843632574 /nfs/dbraw/zinc/63/25/74/843632574.db2.gz QMFQHVQCUDEDTH-DHIUTWEWSA-N 1 0 384.483 3.983 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510896771 843746783 /nfs/dbraw/zinc/74/67/83/843746783.db2.gz LSQOOCXBXBTCCM-FXAWDEMLSA-N 1 0 392.503 3.989 20 30 GHEDRO CCOC1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000512822923 843806822 /nfs/dbraw/zinc/80/68/22/843806822.db2.gz ISAWQEGZFUMXQN-YGWXTMFKSA-N 1 0 383.536 3.830 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000237599273 843958143 /nfs/dbraw/zinc/95/81/43/843958143.db2.gz BRCRLOCXEXBFCI-QGZVFWFLSA-N 1 0 386.455 3.915 20 30 GHEDRO CCCCCCC[C@@H](C)CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000731118556 861478158 /nfs/dbraw/zinc/47/81/58/861478158.db2.gz ARQMQRQBLMPNEQ-RTWAWAEBSA-N 1 0 380.621 3.795 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)c1 ZINC000512616416 844753762 /nfs/dbraw/zinc/75/37/62/844753762.db2.gz FLOVQJCSHUVXLD-UHFFFAOYSA-N 1 0 386.455 3.663 20 30 GHEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329471081 861493575 /nfs/dbraw/zinc/49/35/75/861493575.db2.gz ZGMMKINRNRKZGV-GOSISDBHSA-N 1 0 391.585 3.602 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000432989191 844867400 /nfs/dbraw/zinc/86/74/00/844867400.db2.gz OQOSTIHUFUNQML-HXUWFJFHSA-N 1 0 379.460 3.741 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000078583311 844915292 /nfs/dbraw/zinc/91/52/92/844915292.db2.gz MAHPUBKGHFRULK-FQEVSTJZSA-N 1 0 376.504 3.677 20 30 GHEDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433011502 844916348 /nfs/dbraw/zinc/91/63/48/844916348.db2.gz FZTWKIDPYNXEGQ-IBGZPJMESA-N 1 0 379.460 3.745 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000673739027 861516513 /nfs/dbraw/zinc/51/65/13/861516513.db2.gz MTEBLKKXBDMYQR-UHFFFAOYSA-N 1 0 390.487 3.794 20 30 GHEDRO C[NH+](C)CCCOc1cccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 ZINC000512668625 844970773 /nfs/dbraw/zinc/97/07/73/844970773.db2.gz MOYCLQWHKCNAJI-UHFFFAOYSA-N 1 0 383.467 3.944 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)cc1 ZINC000731217645 861519129 /nfs/dbraw/zinc/51/91/29/861519129.db2.gz KCEHEXFSZGIERI-IBGZPJMESA-N 1 0 385.552 3.881 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1 ZINC000433039369 845038670 /nfs/dbraw/zinc/03/86/70/845038670.db2.gz LNNYWKNCBJGRMF-INIZCTEOSA-N 1 0 387.386 3.971 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247784842 845056423 /nfs/dbraw/zinc/05/64/23/845056423.db2.gz YEKPWFKDSNQKFW-AZUAARDMSA-N 1 0 381.476 3.848 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686691 861530172 /nfs/dbraw/zinc/53/01/72/861530172.db2.gz VSDDFTSVKMRRCC-UHFFFAOYSA-N 1 0 383.879 3.802 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)c1ccc2c(c1)CCCC2 ZINC000329494134 861538951 /nfs/dbraw/zinc/53/89/51/861538951.db2.gz WSNLUFDQBKJLIB-AVRDEDQJSA-N 1 0 397.563 3.917 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(O)c(OC)c1 ZINC000178888033 845198312 /nfs/dbraw/zinc/19/83/12/845198312.db2.gz PFXBDWJNUZIMBL-UHFFFAOYSA-N 1 0 390.524 3.961 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)[NH+]1CCCC1 ZINC000433106022 845302926 /nfs/dbraw/zinc/30/29/26/845302926.db2.gz SKZNJZXGZIKJEJ-IRLDBZIGSA-N 1 0 391.515 3.721 20 30 GHEDRO CC[NH+]=C(NC[C@H]1CCCO[C@H]1c1ccc(C)cc1)N1CCC2(C1)CCOCC2 ZINC000262366658 845350443 /nfs/dbraw/zinc/35/04/43/845350443.db2.gz HWMTXHNNTVVKFT-YADHBBJMSA-N 1 0 399.579 3.931 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000673743528 861559703 /nfs/dbraw/zinc/55/97/03/861559703.db2.gz SHWCUKABCZFMFL-IBGZPJMESA-N 1 0 394.519 3.528 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)CC1 ZINC000664017210 845413438 /nfs/dbraw/zinc/41/34/38/845413438.db2.gz VXVWQPFJMPHSFZ-OAQYLSRUSA-N 1 0 385.552 3.806 20 30 GHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000555684084 861575758 /nfs/dbraw/zinc/57/57/58/861575758.db2.gz QZFUVARGBNIDSY-FQEVSTJZSA-N 1 0 387.487 3.710 20 30 GHEDRO CSc1nnc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000262816125 845528693 /nfs/dbraw/zinc/52/86/93/845528693.db2.gz VSTPGIRFGAIOKT-SSDOTTSWSA-N 1 0 376.338 3.732 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000119565386 845577050 /nfs/dbraw/zinc/57/70/50/845577050.db2.gz LTOKHNOASBEOHE-KRWDZBQOSA-N 1 0 386.515 3.883 20 30 GHEDRO Cc1cc(NC(=O)c2cccc(C#N)c2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000512804715 845577829 /nfs/dbraw/zinc/57/78/29/845577829.db2.gz UBCNTAAMRBMKHE-UHFFFAOYSA-N 1 0 376.504 3.958 20 30 GHEDRO CN(C(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512800356 845581892 /nfs/dbraw/zinc/58/18/92/845581892.db2.gz ALVGRDNNLFNZOS-UHFFFAOYSA-N 1 0 381.451 3.594 20 30 GHEDRO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812199 845618781 /nfs/dbraw/zinc/61/87/81/845618781.db2.gz QSVURJAAXYQZLH-YESZJQIVSA-N 1 0 387.499 3.719 20 30 GHEDRO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512812493 845619201 /nfs/dbraw/zinc/61/92/01/845619201.db2.gz VCQFXHZIXKBFCA-LJQANCHMSA-N 1 0 398.478 3.597 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)C[NH+]1CCCC1 ZINC000513533330 845629384 /nfs/dbraw/zinc/62/93/84/845629384.db2.gz JIVBPRLNOGKCBI-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO Cc1cc(N(C)C)cc(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000156889128 845741785 /nfs/dbraw/zinc/74/17/85/845741785.db2.gz YSZQGLNOZAHQDP-UHFFFAOYSA-N 1 0 393.535 3.837 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431320289 845876629 /nfs/dbraw/zinc/87/66/29/845876629.db2.gz ZMYHPIKEXDCYPN-VXKWHMMOSA-N 1 0 397.563 3.665 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277403949 846031430 /nfs/dbraw/zinc/03/14/30/846031430.db2.gz JEAXCEIMNGZKHR-SJORKVTESA-N 1 0 390.553 3.703 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)c1 ZINC000502537574 846176265 /nfs/dbraw/zinc/17/62/65/846176265.db2.gz LHKKWRQCWTYQLJ-LJQANCHMSA-N 1 0 399.491 3.587 20 30 GHEDRO Cc1noc([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000329039286 846324568 /nfs/dbraw/zinc/32/45/68/846324568.db2.gz NXPAEGKHAKRJNJ-CYBMUJFWSA-N 1 0 385.493 3.658 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000551387525 846357423 /nfs/dbraw/zinc/35/74/23/846357423.db2.gz DXXQTZIOUXTGIE-UHFFFAOYSA-N 1 0 389.503 3.511 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2cccc(C)c2)cc1 ZINC000280659534 846484480 /nfs/dbraw/zinc/48/44/80/846484480.db2.gz XHUSGAHQKPWXDC-IBGZPJMESA-O 1 0 397.564 3.800 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000014515241 846516970 /nfs/dbraw/zinc/51/69/70/846516970.db2.gz AHLMNGWRCOTACT-FXAWDEMLSA-N 1 0 397.544 3.976 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000513703616 846532361 /nfs/dbraw/zinc/53/23/61/846532361.db2.gz XYCODKZIRHGAHJ-IBGZPJMESA-N 1 0 393.506 3.955 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000183203305 846533698 /nfs/dbraw/zinc/53/36/98/846533698.db2.gz YINQDVDXFRXABK-UHFFFAOYSA-N 1 0 385.515 3.807 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419437839 846551986 /nfs/dbraw/zinc/55/19/86/846551986.db2.gz FTWZDOVTOSUQKI-UXHICEINSA-N 1 0 380.492 3.911 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NCCC[NH2+]C3CCCCC3)cc2)nc1 ZINC000419917267 846883329 /nfs/dbraw/zinc/88/33/29/846883329.db2.gz GZKDCTNQXSQMSE-UHFFFAOYSA-N 1 0 378.476 3.788 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000272616521 847126558 /nfs/dbraw/zinc/12/65/58/847126558.db2.gz WICQHKSGQNKDED-CRAIPNDOSA-N 1 0 392.906 3.807 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277587225 847152563 /nfs/dbraw/zinc/15/25/63/847152563.db2.gz WLBOUVIESGEEGF-IAGOWNOFSA-N 1 0 390.553 3.561 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000158273247 847186007 /nfs/dbraw/zinc/18/60/07/847186007.db2.gz XFTUPKSTIVZNSD-UHFFFAOYSA-N 1 0 389.459 3.669 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2cncc(C#N)n2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000420593379 847330790 /nfs/dbraw/zinc/33/07/90/847330790.db2.gz BRJKKQOVUUPWIB-KDOFPFPSSA-N 1 0 375.398 3.862 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cccc(C2(C#N)CCOCC2)c1 ZINC001167944325 847352064 /nfs/dbraw/zinc/35/20/64/847352064.db2.gz DJOCXNAXHZZSAA-IBGZPJMESA-N 1 0 387.524 3.510 20 30 GHEDRO CC(C)CC1(C)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000329617943 861782070 /nfs/dbraw/zinc/78/20/70/861782070.db2.gz GABXKUBJBBRDPR-WOJBJXKFSA-N 1 0 379.589 3.817 20 30 GHEDRO Cc1ccccc1OCCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502177624 847564538 /nfs/dbraw/zinc/56/45/38/847564538.db2.gz YPBLEFHZOYBOIU-UHFFFAOYSA-N 1 0 377.488 3.986 20 30 GHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000205807831 847633585 /nfs/dbraw/zinc/63/35/85/847633585.db2.gz CWVKVRWKXSLNFJ-TWGQIWQCSA-N 1 0 380.879 3.615 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000582587954 847703471 /nfs/dbraw/zinc/70/34/71/847703471.db2.gz LNGGGAFNDJKJFT-LJQANCHMSA-N 1 0 375.561 3.652 20 30 GHEDRO Cn1cc(C[NH+]2CCC(N3CCc4ccccc43)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000502346508 847756929 /nfs/dbraw/zinc/75/69/29/847756929.db2.gz PGPYGSZHFUZDMN-UHFFFAOYSA-N 1 0 397.526 3.986 20 30 GHEDRO COc1ccc([C@@H](NCCSCc2ccccc2C#N)[C@H]2CCC[NH2+]2)cc1 ZINC000422998958 847931781 /nfs/dbraw/zinc/93/17/81/847931781.db2.gz XDLPMHZELURDTP-FGZHOGPDSA-N 1 0 381.545 3.883 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)OC)c3ccccc23)CC1 ZINC000599916213 861874118 /nfs/dbraw/zinc/87/41/18/861874118.db2.gz PTTHAUUROVESDZ-UHFFFAOYSA-N 1 0 381.476 3.788 20 30 GHEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000899811341 861879313 /nfs/dbraw/zinc/87/93/13/861879313.db2.gz VXFGSAPXEPOFTM-SFHVURJKSA-N 1 0 387.487 3.691 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187769664 848449309 /nfs/dbraw/zinc/44/93/09/848449309.db2.gz YQFMPTKBBHKINE-DYESRHJHSA-N 1 0 377.431 3.758 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C#N)cc1 ZINC000048825987 848651705 /nfs/dbraw/zinc/65/17/05/848651705.db2.gz IKZZTSRJCHOIDP-GOSISDBHSA-N 1 0 376.504 3.932 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)OCC ZINC000535923503 849021441 /nfs/dbraw/zinc/02/14/41/849021441.db2.gz MSXYQKNVORRPBC-LJQANCHMSA-N 1 0 379.932 3.792 20 30 GHEDRO CCn1c2ccccc2c2cc(C=NNC(=S)NCCC[NH+](C)C)ccc21 ZINC000731928289 861974613 /nfs/dbraw/zinc/97/46/13/861974613.db2.gz HTDOSYSPGIBXEK-UHFFFAOYSA-N 1 0 381.549 3.564 20 30 GHEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000731929118 861974931 /nfs/dbraw/zinc/97/49/31/861974931.db2.gz AHNCHKVJIXVTHJ-UHFFFAOYSA-N 1 0 380.970 3.818 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(N(C)C)cc1 ZINC000122080088 849182030 /nfs/dbraw/zinc/18/20/30/849182030.db2.gz LHNVDYWHEJKXOR-UHFFFAOYSA-O 1 0 392.907 3.547 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000176461774 849198901 /nfs/dbraw/zinc/19/89/01/849198901.db2.gz DOGYRFDMLCGHQX-MOPGFXCFSA-N 1 0 378.520 3.824 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@H]1CCCO1 ZINC000543497460 862039443 /nfs/dbraw/zinc/03/94/43/862039443.db2.gz SDWKKTYSIJFKLY-WOJBJXKFSA-N 1 0 398.482 3.591 20 30 GHEDRO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000503905057 849768070 /nfs/dbraw/zinc/76/80/70/849768070.db2.gz XYXDXCKEHLTKBC-HXUWFJFHSA-N 1 0 393.487 3.641 20 30 GHEDRO C=CC[N@@H+](CCCc1ccccc1OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000505573833 849923015 /nfs/dbraw/zinc/92/30/15/849923015.db2.gz FGROCIMSZKQQIQ-GOSISDBHSA-N 1 0 377.492 3.853 20 30 GHEDRO CC(C)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000435038839 850003625 /nfs/dbraw/zinc/00/36/25/850003625.db2.gz XANIGFUDKDFMRE-HSZRJFAPSA-N 1 0 387.527 3.789 20 30 GHEDRO COc1cccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)c1 ZINC000435053756 850028322 /nfs/dbraw/zinc/02/83/22/850028322.db2.gz VUJYMGBOOSLQPR-QFIPXVFZSA-N 1 0 389.499 3.552 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000514634350 850081571 /nfs/dbraw/zinc/08/15/71/850081571.db2.gz DQDMFWPTCZETRF-QGZVFWFLSA-N 1 0 399.539 3.511 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(OC)c1 ZINC000505606859 850099356 /nfs/dbraw/zinc/09/93/56/850099356.db2.gz GXAGXPGDRUAFLQ-GAJHUEQPSA-N 1 0 382.504 3.610 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000569574456 850157401 /nfs/dbraw/zinc/15/74/01/850157401.db2.gz ASYFFHFJLQCDPK-ZDUSSCGKSA-N 1 0 376.913 3.833 20 30 GHEDRO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424063816 850180843 /nfs/dbraw/zinc/18/08/43/850180843.db2.gz IYAINFVBPKUEKE-SFHVURJKSA-N 1 0 393.516 3.580 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)[C@H]1c1cccs1 ZINC000514714049 850204456 /nfs/dbraw/zinc/20/44/56/850204456.db2.gz UIVKGQGSVLOLEH-SJCJKPOMSA-N 1 0 389.912 3.873 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1OCC ZINC000668706318 850221608 /nfs/dbraw/zinc/22/16/08/850221608.db2.gz RHLXPKPXEYLYNN-HOTGVXAUSA-N 1 0 396.325 3.881 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000439645877 850223680 /nfs/dbraw/zinc/22/36/80/850223680.db2.gz KJHDWNJJCDRDKV-WDSOQIARSA-N 1 0 376.566 3.979 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000424117702 850231215 /nfs/dbraw/zinc/23/12/15/850231215.db2.gz BPTMWTPOERPEMG-RBUKOAKNSA-N 1 0 389.613 3.981 20 30 GHEDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424120840 850234414 /nfs/dbraw/zinc/23/44/14/850234414.db2.gz HKFOOCKYOIEAOI-FCHUYYIVSA-N 1 0 379.504 3.733 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)COc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000518864810 850243037 /nfs/dbraw/zinc/24/30/37/850243037.db2.gz YNWPJBULXIPONM-SFHVURJKSA-N 1 0 377.488 3.717 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000424133217 850259493 /nfs/dbraw/zinc/25/94/93/850259493.db2.gz YXTZOOMACZUAGQ-UYAOXDASSA-N 1 0 397.592 3.991 20 30 GHEDRO Cc1sc(NC(=O)CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000426462665 850261590 /nfs/dbraw/zinc/26/15/90/850261590.db2.gz RRHRTZCWYOMKBG-LJQANCHMSA-N 1 0 396.560 3.629 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908677843 850281412 /nfs/dbraw/zinc/28/14/12/850281412.db2.gz LOMZTCBNRWDTIG-LJQANCHMSA-N 1 0 387.572 3.941 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1C#N ZINC000426471532 850303681 /nfs/dbraw/zinc/30/36/81/850303681.db2.gz MQSUGXZHQZTGFG-NQIIRXRSSA-N 1 0 394.494 3.977 20 30 GHEDRO N#Cc1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000518887710 850305658 /nfs/dbraw/zinc/30/56/58/850305658.db2.gz QRARZWCXJPFCPU-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000424291125 850336622 /nfs/dbraw/zinc/33/66/22/850336622.db2.gz CZTPDVNOOVXOEP-QRTARXTBSA-N 1 0 385.289 3.793 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC000515000505 850569557 /nfs/dbraw/zinc/56/95/57/850569557.db2.gz XAKCJVIXGLSZRX-QGZVFWFLSA-N 1 0 387.549 3.692 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)cc1 ZINC000729434913 850571306 /nfs/dbraw/zinc/57/13/06/850571306.db2.gz SSCFSNCPQFRVSR-HXUWFJFHSA-N 1 0 395.503 3.930 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000732230436 862163752 /nfs/dbraw/zinc/16/37/52/862163752.db2.gz PWNPEUSXHACBHU-UHFFFAOYSA-N 1 0 389.499 3.926 20 30 GHEDRO CCCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000162837632 862167497 /nfs/dbraw/zinc/16/74/97/862167497.db2.gz XAZQWUFJRNSKRY-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000487744942 850878956 /nfs/dbraw/zinc/87/89/56/850878956.db2.gz VEQGAFJBDPDLJC-ZVDOUQERSA-N 1 0 385.552 3.531 20 30 GHEDRO CC(C)C[C@@](C)(C#N)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435904848 850963049 /nfs/dbraw/zinc/96/30/49/850963049.db2.gz ZYKNNIIVQXDIGT-QHCPKHFHSA-N 1 0 380.536 3.852 20 30 GHEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513892078 850983087 /nfs/dbraw/zinc/98/30/87/850983087.db2.gz RQZWNEZYPBIYTA-IBGZPJMESA-N 1 0 379.460 3.745 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)cc1)C(C)C ZINC000729435377 851138621 /nfs/dbraw/zinc/13/86/21/851138621.db2.gz WNKCHQCRFLRPHZ-FQEVSTJZSA-N 1 0 395.503 3.929 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415019316 851140864 /nfs/dbraw/zinc/14/08/64/851140864.db2.gz HZBCJPQAYOGOFK-QFIPXVFZSA-N 1 0 376.460 3.876 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000515647887 851308227 /nfs/dbraw/zinc/30/82/27/851308227.db2.gz FBVOUFWDHMUANR-UHFFFAOYSA-N 1 0 394.548 3.527 20 30 GHEDRO O=C(Cc1c[nH]c2ccc(Cl)cc12)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329724996 862239462 /nfs/dbraw/zinc/23/94/62/862239462.db2.gz BTMMDELAGJPFBR-UHFFFAOYSA-N 1 0 375.900 3.965 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000425127350 851416452 /nfs/dbraw/zinc/41/64/52/851416452.db2.gz IWNAWZBXNJAQJZ-FQEVSTJZSA-N 1 0 390.531 3.680 20 30 GHEDRO Cc1oc(NC(=O)C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c(C#N)c1C ZINC000604521397 862242323 /nfs/dbraw/zinc/24/23/23/862242323.db2.gz HRLJWFQYNLLFCI-RXVVDRJESA-N 1 0 381.476 3.806 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000329727507 862243081 /nfs/dbraw/zinc/24/30/81/862243081.db2.gz CJSRLRYKXADJIO-MGPUTAFESA-N 1 0 382.508 3.697 20 30 GHEDRO COc1cc(C)c([C@@H](C)NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425529011 851559343 /nfs/dbraw/zinc/55/93/43/851559343.db2.gz AIMXNNXJEKSWBT-IAGOWNOFSA-N 1 0 395.503 3.754 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000488519697 851593840 /nfs/dbraw/zinc/59/38/40/851593840.db2.gz AQRLNTNYNMBZAZ-WIYYLYMNSA-N 1 0 394.515 3.900 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425552976 851630902 /nfs/dbraw/zinc/63/09/02/851630902.db2.gz LOQRYTFSRZJLLX-PXNSSMCTSA-N 1 0 388.577 3.932 20 30 GHEDRO C=CCOc1ccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000488690197 851698065 /nfs/dbraw/zinc/69/80/65/851698065.db2.gz XVCVQQPYTSJTME-UHFFFAOYSA-N 1 0 394.515 3.997 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000604534869 862287819 /nfs/dbraw/zinc/28/78/19/862287819.db2.gz YXOGIJKCBMIDCE-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000249394727 851844039 /nfs/dbraw/zinc/84/40/39/851844039.db2.gz SNTDCRNGDMUKFX-UYAOXDASSA-N 1 0 397.544 3.618 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000437997935 851934712 /nfs/dbraw/zinc/93/47/12/851934712.db2.gz MMSBMPGAIMSIFK-VXKWHMMOSA-N 1 0 397.563 3.665 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000517442576 851971334 /nfs/dbraw/zinc/97/13/34/851971334.db2.gz VLFMWPFIAZZNFM-UHFFFAOYSA-N 1 0 396.466 3.740 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1Cl ZINC000505856479 852145691 /nfs/dbraw/zinc/14/56/91/852145691.db2.gz JTMMEOQIULDETJ-MRXNPFEDSA-N 1 0 383.879 3.941 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)[C@@H]1c1cccs1 ZINC000329794355 862326297 /nfs/dbraw/zinc/32/62/97/862326297.db2.gz BWQVENLXPISFKG-SOLBZPMBSA-N 1 0 387.553 3.648 20 30 GHEDRO CCc1c(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cnn1-c1ccccc1 ZINC000329801725 862330290 /nfs/dbraw/zinc/33/02/90/862330290.db2.gz JVBPREYIRAGZKU-SFHVURJKSA-N 1 0 381.524 3.644 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000516151169 852215337 /nfs/dbraw/zinc/21/53/37/852215337.db2.gz NKBYOPCSHHDZNF-OAQYLSRUSA-N 1 0 393.556 3.820 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000329804932 862332867 /nfs/dbraw/zinc/33/28/67/862332867.db2.gz KLFFXVUNUUUUNG-QHCPKHFHSA-N 1 0 398.551 3.775 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000473588856 852271670 /nfs/dbraw/zinc/27/16/70/852271670.db2.gz DEGYWQBFXRHDMF-PKOBYXMFSA-N 1 0 384.442 3.625 20 30 GHEDRO COc1ccc(CCNC(NCc2ccc([C@@H](C)O)cc2)=[NH+]C(C)(C)C)cc1 ZINC000912509379 852313108 /nfs/dbraw/zinc/31/31/08/852313108.db2.gz FDNRECHTOBRKFP-QGZVFWFLSA-N 1 0 383.536 3.825 20 30 GHEDRO COc1ccc(CNC(NCc2ccc(OCC#N)cc2)=[NH+]C(C)(C)C)cc1 ZINC000912509198 852313386 /nfs/dbraw/zinc/31/33/86/852313386.db2.gz WVFCBWLQILUERD-UHFFFAOYSA-N 1 0 380.492 3.631 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000287814382 852408649 /nfs/dbraw/zinc/40/86/49/852408649.db2.gz PDMUPYXYBDTJNY-LEWJYISDSA-N 1 0 380.492 3.642 20 30 GHEDRO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(Br)cc1 ZINC000516311324 852410794 /nfs/dbraw/zinc/41/07/94/852410794.db2.gz WEJSWYVWIUVGRE-SFHVURJKSA-N 1 0 380.330 3.714 20 30 GHEDRO COc1cc2c(cc1NC(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)NC(=O)CC2 ZINC000329835105 862359286 /nfs/dbraw/zinc/35/92/86/862359286.db2.gz LXOQBGCWBQGPGD-HNAYVOBHSA-N 1 0 398.507 3.724 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329845314 862368734 /nfs/dbraw/zinc/36/87/34/862368734.db2.gz OOKCXUJEOCVTTF-MJGOQNOKSA-N 1 0 387.524 3.601 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]CCC(=O)Nc3ccc(Cl)cc3)CC2)nc1 ZINC000517922622 852623005 /nfs/dbraw/zinc/62/30/05/852623005.db2.gz NLXOGKSOKSNQNA-UHFFFAOYSA-N 1 0 398.894 3.915 20 30 GHEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000481841586 862380718 /nfs/dbraw/zinc/38/07/18/862380718.db2.gz YCIPXPMFRIBJLP-LPHOPBHVSA-N 1 0 394.357 3.756 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000669032451 852766862 /nfs/dbraw/zinc/76/68/62/852766862.db2.gz KVAURFGNLYYPPH-XWSJACJDSA-N 1 0 387.572 3.651 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000490202108 852809795 /nfs/dbraw/zinc/80/97/95/852809795.db2.gz NHTBLQYRTJBXAU-BWMZKYQQSA-N 1 0 377.479 3.954 20 30 GHEDRO C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490213117 852819283 /nfs/dbraw/zinc/81/92/83/852819283.db2.gz QUFSSRIZFANOQD-RXVVDRJESA-N 1 0 391.515 3.742 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(n3c(C)ccc3C)CC2)c(OC)c1 ZINC000507358996 852825971 /nfs/dbraw/zinc/82/59/71/852825971.db2.gz KDJMBWUYBPJGCO-JOCHJYFZSA-N 1 0 398.547 3.919 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000133940061 852864597 /nfs/dbraw/zinc/86/45/97/852864597.db2.gz SJAHREKOAKJKGK-QUCCMNQESA-N 1 0 383.536 3.829 20 30 GHEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000912916486 852884238 /nfs/dbraw/zinc/88/42/38/852884238.db2.gz QFGFWRUQYPBFAE-INIZCTEOSA-N 1 0 381.863 3.924 20 30 GHEDRO CCN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507476648 852949895 /nfs/dbraw/zinc/94/98/95/852949895.db2.gz GMZZBBZUQIJAII-YLJYHZDGSA-N 1 0 379.479 3.924 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)N[C@@H](CCC#N)c3ccccc3)CCCC2)CC1 ZINC000438861760 853005374 /nfs/dbraw/zinc/00/53/74/853005374.db2.gz UHQUKLISGZMIKW-NRFANRHFSA-N 1 0 398.551 3.754 20 30 GHEDRO CSC1(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[NH+](C)CC1 ZINC000516819622 853037245 /nfs/dbraw/zinc/03/72/45/853037245.db2.gz WYQWEOCNFDNPSK-HNNXBMFYSA-N 1 0 392.594 3.887 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Cl ZINC000414902620 853059855 /nfs/dbraw/zinc/05/98/55/853059855.db2.gz KEVYJOUIHIPWNE-HKUYNNGSSA-N 1 0 398.894 3.577 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(N4CCCCC4)c4ncccc34)[C@H]2C1 ZINC000329919333 862423001 /nfs/dbraw/zinc/42/30/01/862423001.db2.gz ROMDCOPLJIZKNL-UWJYYQICSA-N 1 0 393.535 3.797 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c(C(F)(F)F)c1 ZINC000518267157 853138856 /nfs/dbraw/zinc/13/88/56/853138856.db2.gz HHTPIVPPCXGTFA-SFHVURJKSA-N 1 0 391.368 3.607 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1 ZINC000329940317 862441919 /nfs/dbraw/zinc/44/19/19/862441919.db2.gz GECCHZAGJHJBGL-UKAVVXHISA-N 1 0 381.524 3.516 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CC2CCCC2)c2ccccc2)nc1 ZINC000519635437 853336736 /nfs/dbraw/zinc/33/67/36/853336736.db2.gz MEZUZLZPIHXNKL-HXUWFJFHSA-N 1 0 383.517 3.638 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000437641322 853353198 /nfs/dbraw/zinc/35/31/98/853353198.db2.gz PNMFOVMJVUNNGY-VSKRKVRLSA-N 1 0 385.552 3.740 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncc(C#N)cc1Cl ZINC000491054480 853429175 /nfs/dbraw/zinc/42/91/75/853429175.db2.gz CCASVOLTWKGLEG-KRWDZBQOSA-N 1 0 382.895 3.591 20 30 GHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCC#N)c2ccc(F)cc2F)c1 ZINC000491060167 853431418 /nfs/dbraw/zinc/43/14/18/853431418.db2.gz NBSLTLXPOVSWPV-LJQANCHMSA-N 1 0 378.444 3.741 20 30 GHEDRO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000261987752 853482175 /nfs/dbraw/zinc/48/21/75/853482175.db2.gz QMOGRTOFXYOIQW-SFHVURJKSA-N 1 0 390.535 3.669 20 30 GHEDRO C[C@H]1C[C@@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157080983 853510711 /nfs/dbraw/zinc/51/07/11/853510711.db2.gz WCXQKZLKYGRUMN-UNMCSNQZSA-N 1 0 396.579 3.656 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C2 ZINC000519827108 853518292 /nfs/dbraw/zinc/51/82/92/853518292.db2.gz RVPMQIUIFAQRRX-VHSSKADRSA-N 1 0 389.425 3.741 20 30 GHEDRO CN(C)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000586790019 853549853 /nfs/dbraw/zinc/54/98/53/853549853.db2.gz BADOPHCBGDTAKK-NRFANRHFSA-N 1 0 384.474 3.698 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000586796791 853554043 /nfs/dbraw/zinc/55/40/43/853554043.db2.gz QBMZMMRSCBIKDL-XNJGSVPQSA-N 1 0 383.521 3.602 20 30 GHEDRO N#CC1(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCCC1 ZINC000546069088 853577069 /nfs/dbraw/zinc/57/70/69/853577069.db2.gz KXUKWBCSWZBTDG-UHFFFAOYSA-N 1 0 389.565 3.566 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000519909506 853601074 /nfs/dbraw/zinc/60/10/74/853601074.db2.gz BTJOXCLTHBJLOU-UHFFFAOYSA-N 1 0 397.548 3.944 20 30 GHEDRO CC(C)Cc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccccc2)cc1 ZINC000055011309 853627879 /nfs/dbraw/zinc/62/78/79/853627879.db2.gz NRQNUHDKBXLQGB-HXUWFJFHSA-O 1 0 397.564 3.880 20 30 GHEDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nc(C3CC3)no2)c1 ZINC000329994526 862489969 /nfs/dbraw/zinc/48/99/69/862489969.db2.gz ZHLPYMAHEDHTHH-QZTJIDSGSA-N 1 0 381.480 3.684 20 30 GHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156324624 853651017 /nfs/dbraw/zinc/65/10/17/853651017.db2.gz DPGFVJPANCJSRE-JOCHJYFZSA-N 1 0 378.451 3.685 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000517351223 853697399 /nfs/dbraw/zinc/69/73/99/853697399.db2.gz JMYOZJMJAYHDFO-UXHICEINSA-N 1 0 379.435 3.846 20 30 GHEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579110483 853724215 /nfs/dbraw/zinc/72/42/15/853724215.db2.gz WNPKDSHEESBINU-HNNXBMFYSA-N 1 0 395.894 3.718 20 30 GHEDRO Cc1nc2ccccc2n1CCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000330010637 862503406 /nfs/dbraw/zinc/50/34/06/862503406.db2.gz IFIRYRPTIUGFNZ-UHFFFAOYSA-N 1 0 384.524 3.726 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc(OC)c1O ZINC000604766621 862504404 /nfs/dbraw/zinc/50/44/04/862504404.db2.gz YADNDAYFZYGDBE-PXNSSMCTSA-N 1 0 395.421 3.753 20 30 GHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441307552 854082460 /nfs/dbraw/zinc/08/24/60/854082460.db2.gz LMXDBFLNIDOUJC-IBGZPJMESA-N 1 0 392.931 3.557 20 30 GHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000588231636 854224729 /nfs/dbraw/zinc/22/47/29/854224729.db2.gz BFBDCISURSANMO-MRXNPFEDSA-N 1 0 389.521 3.739 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164746240 854280227 /nfs/dbraw/zinc/28/02/27/854280227.db2.gz HKFVMXZTZWAGMY-CVEARBPZSA-N 1 0 389.594 3.702 20 30 GHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@]2(CCOC2)O1 ZINC000330083715 862561810 /nfs/dbraw/zinc/56/18/10/862561810.db2.gz BOGYIKVUFARXCN-WMZOPIPTSA-N 1 0 397.313 3.697 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC23CCOCC3)[C@H]1c1cccs1 ZINC000328644783 854487762 /nfs/dbraw/zinc/48/77/62/854487762.db2.gz AQSVWNCVNTVJKD-QRQLOZEOSA-N 1 0 391.581 3.984 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+]1CCC(C)CC1 ZINC000609516344 854499549 /nfs/dbraw/zinc/49/95/49/854499549.db2.gz PMJIFSZAZUFFBQ-QGZVFWFLSA-N 1 0 378.476 3.596 20 30 GHEDRO CSC[C@@H](C)C(=O)N1CCC(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000328724135 854504555 /nfs/dbraw/zinc/50/45/55/854504555.db2.gz SRTQDFPVPLPTOF-MRXNPFEDSA-N 1 0 395.613 3.588 20 30 GHEDRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CCCCCC#N)CC1 ZINC000588827457 854509495 /nfs/dbraw/zinc/50/94/95/854509495.db2.gz VSMQXMUZFHDVSL-UHFFFAOYSA-N 1 0 393.329 3.613 20 30 GHEDRO CC1(C)CC[NH+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000328792516 854559097 /nfs/dbraw/zinc/55/90/97/854559097.db2.gz RJRZHUMXFLWUAD-UHFFFAOYSA-N 1 0 393.553 3.571 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1nc(C2CCCCC2)no1 ZINC000328873420 854592347 /nfs/dbraw/zinc/59/23/47/854592347.db2.gz RBJOOIKFLWDDRD-MAUKXSAKSA-N 1 0 389.544 3.756 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)[C@H]1c1ccccc1 ZINC000328887457 854598073 /nfs/dbraw/zinc/59/80/73/854598073.db2.gz ORAXNQVZXVHVGM-SVFBPWRDSA-N 1 0 383.467 3.988 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328952187 854615066 /nfs/dbraw/zinc/61/50/66/854615066.db2.gz XOQQRJBZHSNZAB-SPYBWZPUSA-N 1 0 390.890 3.888 20 30 GHEDRO O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000328992909 854644698 /nfs/dbraw/zinc/64/46/98/854644698.db2.gz IVKCEIDWFFLELW-SJBKTWHCSA-N 1 0 396.535 3.640 20 30 GHEDRO Cn1c(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)nc2cccc(Cl)c21 ZINC000330131216 862600839 /nfs/dbraw/zinc/60/08/39/862600839.db2.gz PNKAQQKGNJIWFL-OAHLLOKOSA-N 1 0 389.931 3.591 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2cccc(C(F)F)c2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000330851124 854766387 /nfs/dbraw/zinc/76/63/87/854766387.db2.gz NKZNQXIBVRMZLY-NEPJUHHUSA-N 1 0 375.847 3.600 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(Br)c1 ZINC000589279290 854781436 /nfs/dbraw/zinc/78/14/36/854781436.db2.gz FBJUIMCUSCJTRK-GOSISDBHSA-N 1 0 382.305 3.958 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000589284612 854783543 /nfs/dbraw/zinc/78/35/43/854783543.db2.gz ILBYUEABBSVCIB-GKCIPKSASA-N 1 0 382.895 3.574 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC000765782115 854813386 /nfs/dbraw/zinc/81/33/86/854813386.db2.gz JDUFWFAVHOPLBF-PGRDOPGGSA-N 1 0 393.572 3.617 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000589364637 854830153 /nfs/dbraw/zinc/83/01/53/854830153.db2.gz JIEXCKJPTSYIKA-IRXDYDNUSA-N 1 0 393.491 3.987 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000331338771 854838049 /nfs/dbraw/zinc/83/80/49/854838049.db2.gz RKOKCHIUAHOWCR-CQSZACIVSA-N 1 0 378.314 3.993 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3cccc(O)c3)CC2)c(C(F)(F)F)c1 ZINC000589499669 854910018 /nfs/dbraw/zinc/91/00/18/854910018.db2.gz XHEOJWSAXJCHID-UHFFFAOYSA-N 1 0 375.394 3.600 20 30 GHEDRO O=C(Nc1nc(CN2CCCCC2)cs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000330153456 862619232 /nfs/dbraw/zinc/61/92/32/862619232.db2.gz OCOHFSLXAHFGOJ-UHFFFAOYSA-N 1 0 391.585 3.625 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000441453981 854948319 /nfs/dbraw/zinc/94/83/19/854948319.db2.gz WFGSWMYDSORUDP-QFIPXVFZSA-N 1 0 383.536 3.974 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1C ZINC000572830436 855007002 /nfs/dbraw/zinc/00/70/02/855007002.db2.gz SCAFYGQHMSCJRN-FCEUIQTBSA-N 1 0 383.536 3.566 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(C)(C(C)C)CC1 ZINC000669334271 855020755 /nfs/dbraw/zinc/02/07/55/855020755.db2.gz BAEKEGSQPXNDSD-MOPGFXCFSA-N 1 0 387.572 3.652 20 30 GHEDRO N#Cc1ccc(F)c(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000888377229 855045481 /nfs/dbraw/zinc/04/54/81/855045481.db2.gz QHGXZZKFYDYURA-RBUKOAKNSA-N 1 0 378.451 3.683 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000056808200 855061764 /nfs/dbraw/zinc/06/17/64/855061764.db2.gz GSYPXZMHVSKTTR-UHFFFAOYSA-N 1 0 388.581 3.553 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000589587635 855072821 /nfs/dbraw/zinc/07/28/21/855072821.db2.gz MFKLEFRINLYBGJ-KRWDZBQOSA-N 1 0 383.517 3.928 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H]1C ZINC000248400026 855074188 /nfs/dbraw/zinc/07/41/88/855074188.db2.gz PSMOTAKUWSNMHY-NPVNXHKCSA-N 1 0 385.508 3.601 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)[C@H]2C1 ZINC000330182872 862643640 /nfs/dbraw/zinc/64/36/40/862643640.db2.gz HNLNVXDJSDCUHL-BBRMVZONSA-N 1 0 388.418 3.724 20 30 GHEDRO C[C@H](Cc1ccccc1F)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054622356 855176631 /nfs/dbraw/zinc/17/66/31/855176631.db2.gz KXNBNODUZVMXAE-GOSISDBHSA-N 1 0 394.494 3.546 20 30 GHEDRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000425478815 855274817 /nfs/dbraw/zinc/27/48/17/855274817.db2.gz NDFWCYWBZXUNSQ-QGZVFWFLSA-N 1 0 377.535 3.523 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1csc(C)n1)C(C)C ZINC000190254454 855300336 /nfs/dbraw/zinc/30/03/36/855300336.db2.gz UCPDAMLWUDQYJE-MOPGFXCFSA-N 1 0 376.570 3.997 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000330219294 862669625 /nfs/dbraw/zinc/66/96/25/862669625.db2.gz KAQCBWITDZZREB-ZCNNSNEGSA-N 1 0 391.943 3.769 20 30 GHEDRO C=CC(C)(C)CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000624125293 862672535 /nfs/dbraw/zinc/67/25/35/862672535.db2.gz ZBKQDDFMYWAWNJ-NRFANRHFSA-N 1 0 399.579 3.817 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)CC1 ZINC000590376334 855385068 /nfs/dbraw/zinc/38/50/68/855385068.db2.gz WMXBVUUJEMEARH-UHFFFAOYSA-N 1 0 375.472 3.908 20 30 GHEDRO O=C(CN1CCc2cc[nH]c(=O)c2C1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330240955 862687160 /nfs/dbraw/zinc/68/71/60/862687160.db2.gz FMFVXIRHIPLZKG-UHFFFAOYSA-N 1 0 395.459 3.865 20 30 GHEDRO COC1CC[NH+](C2(CNc3ncc(Br)cc3C#N)CCCC2)CC1 ZINC000590689607 855549536 /nfs/dbraw/zinc/54/95/36/855549536.db2.gz GCXGBZDISOJNHI-UHFFFAOYSA-N 1 0 393.329 3.551 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)CC1 ZINC000171722689 862700497 /nfs/dbraw/zinc/70/04/97/862700497.db2.gz GGGNQVIFMIDYQN-UHFFFAOYSA-N 1 0 377.488 3.628 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273528814 855640250 /nfs/dbraw/zinc/64/02/50/855640250.db2.gz RCZABPJTPNBAGU-TZIWHRDSSA-N 1 0 381.451 3.878 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)ccc1OCc1cccc(C#N)c1 ZINC000590971738 855681151 /nfs/dbraw/zinc/68/11/51/855681151.db2.gz JZBHEPWUGJLCPL-RTWAWAEBSA-N 1 0 378.472 3.757 20 30 GHEDRO Cc1nsc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1C#N ZINC000590991903 855713083 /nfs/dbraw/zinc/71/30/83/855713083.db2.gz FBGWNOCTVYOJMY-UHFFFAOYSA-N 1 0 393.516 3.683 20 30 GHEDRO N#CC1(CC[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CCCCC1 ZINC000591026418 855746131 /nfs/dbraw/zinc/74/61/31/855746131.db2.gz JVAVIOTUXNZFBU-IBGZPJMESA-N 1 0 375.538 3.757 20 30 GHEDRO CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CC2 ZINC000330279724 862716580 /nfs/dbraw/zinc/71/65/80/862716580.db2.gz RMBWSSQGKLVFCR-YPAWHYETSA-N 1 0 385.552 3.679 20 30 GHEDRO CN(CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cc[nH+]cc1 ZINC000542787290 855807193 /nfs/dbraw/zinc/80/71/93/855807193.db2.gz IBXVQAOGTKTZRX-UHFFFAOYSA-N 1 0 386.455 3.997 20 30 GHEDRO CC[NH+]1CCN(Cc2ccccc2CNc2cc(C#N)ccc2C(C)=O)CC1 ZINC000302079685 855811664 /nfs/dbraw/zinc/81/16/64/855811664.db2.gz BMAIDUWEUCFTLN-UHFFFAOYSA-N 1 0 376.504 3.510 20 30 GHEDRO COc1ccc([C@H](CNc2nc3ccccn3c2C#N)[NH+]2CCCCC2)cc1 ZINC000302082160 855814242 /nfs/dbraw/zinc/81/42/42/855814242.db2.gz JNNMHENXDNKGRK-FQEVSTJZSA-N 1 0 375.476 3.854 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3nc4ccccn4c3C#N)CC2)cc1 ZINC000302117307 855817827 /nfs/dbraw/zinc/81/78/27/855817827.db2.gz WQIIVVQHAXJORI-UHFFFAOYSA-N 1 0 375.476 3.539 20 30 GHEDRO Cc1cc(N2CCN(c3cccc(F)c3C#N)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302142157 855822139 /nfs/dbraw/zinc/82/21/39/855822139.db2.gz FTPWVXTWMOTRCT-UHFFFAOYSA-N 1 0 391.406 3.789 20 30 GHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)Nc1sccc1C#N ZINC000108374772 855851553 /nfs/dbraw/zinc/85/15/53/855851553.db2.gz CKNDBHXHYIGEAF-UHFFFAOYSA-N 1 0 397.479 3.652 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000591282022 855882650 /nfs/dbraw/zinc/88/26/50/855882650.db2.gz AJRYCJFUYOSOHQ-VQTJNVASSA-N 1 0 376.460 3.860 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000591308957 855902968 /nfs/dbraw/zinc/90/29/68/855902968.db2.gz FQRJIBBNXFFZFX-SJORKVTESA-N 1 0 378.501 3.783 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001272883498 855919062 /nfs/dbraw/zinc/91/90/62/855919062.db2.gz OVVSFARQYPDXAG-FQEVSTJZSA-N 1 0 376.500 3.683 20 30 GHEDRO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cc(C(F)(F)F)ccn1 ZINC000302741158 855925473 /nfs/dbraw/zinc/92/54/73/855925473.db2.gz QODKQUIKBMAOFS-UHFFFAOYSA-N 1 0 386.381 3.785 20 30 GHEDRO CCN(C(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000591415378 855967014 /nfs/dbraw/zinc/96/70/14/855967014.db2.gz XNKPCUTYMDATCH-FQEVSTJZSA-N 1 0 396.579 3.636 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000172150929 855987827 /nfs/dbraw/zinc/98/78/27/855987827.db2.gz CSHDVNFUJODZCA-QFIPXVFZSA-N 1 0 378.520 3.623 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190726356 855995532 /nfs/dbraw/zinc/99/55/32/855995532.db2.gz QUCYYNCCMVNXMJ-FQEVSTJZSA-N 1 0 399.560 3.737 20 30 GHEDRO C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000171310707 856084779 /nfs/dbraw/zinc/08/47/79/856084779.db2.gz YTVFWCJWSYNXAA-GOSISDBHSA-N 1 0 388.515 3.679 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+]2CCCC2)o1 ZINC000171326000 856091272 /nfs/dbraw/zinc/09/12/72/856091272.db2.gz BPDSBEWHGOIDLO-NRFANRHFSA-N 1 0 392.503 3.971 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485173882 856172866 /nfs/dbraw/zinc/17/28/66/856172866.db2.gz GEOJGBNTUJBIEG-UHFFFAOYSA-N 1 0 393.453 3.717 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C)(C#N)CC2)C[C@@H]1C(F)(F)F ZINC001168568413 856193339 /nfs/dbraw/zinc/19/33/39/856193339.db2.gz LHURAMWGMSDJBT-ZIAGYGMSSA-N 1 0 375.435 3.942 20 30 GHEDRO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000303962045 856215457 /nfs/dbraw/zinc/21/54/57/856215457.db2.gz ZZQJKGGALBHUDO-SFHLNBCPSA-N 1 0 375.557 3.635 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000171737671 856247248 /nfs/dbraw/zinc/24/72/48/856247248.db2.gz GLYLWUVUAQPKAW-GOSISDBHSA-N 1 0 392.341 3.946 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)c1ccco1 ZINC000109302406 856273088 /nfs/dbraw/zinc/27/30/88/856273088.db2.gz RWQAAURGCLPLOP-NQIIRXRSSA-N 1 0 383.492 3.754 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)CNc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000591773281 856292621 /nfs/dbraw/zinc/29/26/21/856292621.db2.gz ILTTYGGRYHWHQN-HSZRJFAPSA-N 1 0 393.531 3.633 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cccc(OCC(F)(F)F)c3)cc2C#N)CC1 ZINC001212169229 856318187 /nfs/dbraw/zinc/31/81/87/856318187.db2.gz CNRWLSAWBUTFQR-UHFFFAOYSA-N 1 0 390.409 3.995 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCO[C@H](c2ccccc2)C1)C(C)C ZINC000591843441 856341588 /nfs/dbraw/zinc/34/15/88/856341588.db2.gz HSNJHVBCKVOMLS-YADHBBJMSA-N 1 0 385.552 3.858 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000172205274 856369202 /nfs/dbraw/zinc/36/92/02/856369202.db2.gz ZWQFPEBBWOJVJJ-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CC)Cc2cccc(Br)c2)CC1 ZINC000172211234 856371303 /nfs/dbraw/zinc/37/13/03/856371303.db2.gz GYEFCBDAGYVWBH-MRXNPFEDSA-N 1 0 379.342 3.784 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)cc1 ZINC000591850801 856385668 /nfs/dbraw/zinc/38/56/68/856385668.db2.gz GMDSQWGPPBRXOG-GOSISDBHSA-N 1 0 397.544 3.513 20 30 GHEDRO COC(=O)C[C@](C)(NCc1ccccc1C#N)c1ccc(Br)cc1 ZINC000513122197 856402216 /nfs/dbraw/zinc/40/22/16/856402216.db2.gz MIAGXYPMBVRHOF-IBGZPJMESA-N 1 0 387.277 3.889 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ccc(Br)cc32)CC1 ZINC000905550951 856405984 /nfs/dbraw/zinc/40/59/84/856405984.db2.gz LNTWMSDFWQKTOT-HOCLYGCPSA-N 1 0 391.309 3.840 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000624836884 856448439 /nfs/dbraw/zinc/44/84/39/856448439.db2.gz LXZZWRLTOKQJIQ-YSTOQKLRSA-N 1 0 387.572 3.795 20 30 GHEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000198387416 856458105 /nfs/dbraw/zinc/45/81/05/856458105.db2.gz XTCRHWSENFNOPF-HXUWFJFHSA-N 1 0 379.460 3.741 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172533320 856470273 /nfs/dbraw/zinc/47/02/73/856470273.db2.gz RDBQGGLXCKXZOX-UHFFFAOYSA-N 1 0 393.453 3.717 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000159533691 862800432 /nfs/dbraw/zinc/80/04/32/862800432.db2.gz XDEZFOWVYSDYIY-UZLBHIALSA-N 1 0 382.508 3.826 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccnc2Nc2ccccc2OC)CC1 ZINC000592075707 856653003 /nfs/dbraw/zinc/65/30/03/856653003.db2.gz ZMUMAIDAGJJQDZ-UHFFFAOYSA-N 1 0 380.492 3.604 20 30 GHEDRO Cc1cccc(C2([NH2+]CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CCC2)c1 ZINC000592145803 856710050 /nfs/dbraw/zinc/71/00/50/856710050.db2.gz BNHCIXKFXHPMJR-UHFFFAOYSA-N 1 0 385.471 3.660 20 30 GHEDRO CC[NH+](CC)CC1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000507965637 856743256 /nfs/dbraw/zinc/74/32/56/856743256.db2.gz CCHBGGROEXMQHT-UHFFFAOYSA-N 1 0 380.536 3.791 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCOc2ccc(Cl)cc2C)CC1 ZINC000592295810 856767538 /nfs/dbraw/zinc/76/75/38/856767538.db2.gz XEMALFHUMSSAPM-UHFFFAOYSA-N 1 0 379.932 3.757 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000120956436 856783905 /nfs/dbraw/zinc/78/39/05/856783905.db2.gz WJTKQRAFJHBCKI-UHFFFAOYSA-N 1 0 394.494 3.502 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCN(c2cccs2)CC1)C(C)C ZINC000674859995 856867689 /nfs/dbraw/zinc/86/76/89/856867689.db2.gz WVXTWXULOOIWPA-IBGZPJMESA-N 1 0 390.597 3.715 20 30 GHEDRO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000592524283 856919013 /nfs/dbraw/zinc/91/90/13/856919013.db2.gz XAPFGYIGAOBNSQ-LJQANCHMSA-N 1 0 387.823 3.891 20 30 GHEDRO CC(C)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000126906110 856925282 /nfs/dbraw/zinc/92/52/82/856925282.db2.gz YOEIAGUZQLVXNV-RBBKRZOGSA-N 1 0 379.504 3.729 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCCCCC[NH+]2CCCC2)o1 ZINC000508105749 856925380 /nfs/dbraw/zinc/92/53/80/856925380.db2.gz UQEQYOKNMLFIQV-UHFFFAOYSA-N 1 0 381.476 3.726 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000245593371 856992226 /nfs/dbraw/zinc/99/22/26/856992226.db2.gz QOYVCXJBVKCIRE-KXBFYZLASA-N 1 0 383.517 3.544 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000063561342 857000489 /nfs/dbraw/zinc/00/04/89/857000489.db2.gz ICDAMPYRCSBCDH-RTBURBONSA-N 1 0 394.515 3.791 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181407822 862866598 /nfs/dbraw/zinc/86/65/98/862866598.db2.gz UBDGNGWKFIDPEU-GCJKJVERSA-N 1 0 394.515 3.632 20 30 GHEDRO CCc1nccn1[C@@H](C)CC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000592764202 857078600 /nfs/dbraw/zinc/07/86/00/857078600.db2.gz WJGFOBFXAQTRPK-WFASDCNBSA-N 1 0 375.270 3.540 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000733328668 862869340 /nfs/dbraw/zinc/86/93/40/862869340.db2.gz ZIXWKXCYJLNHOS-HSZRJFAPSA-N 1 0 398.934 3.905 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cc(F)cc(Br)c1 ZINC000485834795 857146358 /nfs/dbraw/zinc/14/63/58/857146358.db2.gz XJQZTMIMENDESM-MRXNPFEDSA-N 1 0 396.304 3.972 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000112532129 857147157 /nfs/dbraw/zinc/14/71/57/857147157.db2.gz OPLKVUWSNRTUMG-VXGBXAGGSA-N 1 0 384.461 3.694 20 30 GHEDRO CC(C)O[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000593055297 857204399 /nfs/dbraw/zinc/20/43/99/857204399.db2.gz JMSKKWCPSPNMBP-OAHLLOKOSA-N 1 0 375.538 3.717 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000282194186 857224871 /nfs/dbraw/zinc/22/48/71/857224871.db2.gz CCRPOSBLNVYCJR-LSDHHAIUSA-N 1 0 375.538 3.717 20 30 GHEDRO COCc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2n1 ZINC000574127830 857251174 /nfs/dbraw/zinc/25/11/74/857251174.db2.gz JBCOTAULZFJPTJ-UHFFFAOYSA-N 1 0 390.462 3.714 20 30 GHEDRO N#C[C@]1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC2CCC1CC2 ZINC000921972315 857377210 /nfs/dbraw/zinc/37/72/10/857377210.db2.gz UKSVEOJIEBLKAX-ZDNGABSWSA-N 1 0 378.520 3.630 20 30 GHEDRO N#Cc1ccc2ncc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)n2c1 ZINC000246474620 857387680 /nfs/dbraw/zinc/38/76/80/857387680.db2.gz OPDKVIPRHDNCTH-FYYLOGMGSA-N 1 0 385.515 3.692 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)cn2)c1 ZINC000592423226 857388046 /nfs/dbraw/zinc/38/80/46/857388046.db2.gz OWQWSNJWFGFSLM-SFHVURJKSA-N 1 0 377.448 3.542 20 30 GHEDRO C[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1c1ccccc1 ZINC000246603829 857414947 /nfs/dbraw/zinc/41/49/47/857414947.db2.gz GHIYAGKYHQUHKQ-PGRDOPGGSA-N 1 0 399.498 3.808 20 30 GHEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000113324911 857429163 /nfs/dbraw/zinc/42/91/63/857429163.db2.gz NURNSAMUCCJZIG-JOCHJYFZSA-N 1 0 391.494 3.995 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000593352465 857514856 /nfs/dbraw/zinc/51/48/56/857514856.db2.gz BEFNMZOBEHWYPY-NSCUHMNNSA-N 1 0 377.463 3.881 20 30 GHEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000486179077 857518671 /nfs/dbraw/zinc/51/86/71/857518671.db2.gz SHSRSLGOOSGOLX-KBXCAEBGSA-N 1 0 383.879 3.927 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000113557473 857567160 /nfs/dbraw/zinc/56/71/60/857567160.db2.gz NDOVGXCARYGHJV-GOSISDBHSA-N 1 0 392.503 3.888 20 30 GHEDRO C=CCSc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000486249823 857579726 /nfs/dbraw/zinc/57/97/26/857579726.db2.gz KPAJOSWHVFIUSS-HKUYNNGSSA-N 1 0 376.566 3.832 20 30 GHEDRO C=C(CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000672683944 857586173 /nfs/dbraw/zinc/58/61/73/857586173.db2.gz ZGFJTANUBPYOKG-QFIPXVFZSA-N 1 0 379.504 3.845 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)C1CC1 ZINC000181586396 862930788 /nfs/dbraw/zinc/93/07/88/862930788.db2.gz JBIDQUUVIJYJTO-IRLDBZIGSA-N 1 0 383.442 3.647 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)C1 ZINC000592502346 857614924 /nfs/dbraw/zinc/61/49/24/857614924.db2.gz QURFUFHTOSLIQJ-LBTNJELSSA-N 1 0 389.425 3.898 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)cc2)nc1 ZINC000521109154 857628148 /nfs/dbraw/zinc/62/81/48/857628148.db2.gz GFXCLQLUSVWSIT-FQEVSTJZSA-N 1 0 390.487 3.836 20 30 GHEDRO N#CC1(C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCCC1 ZINC000593650739 857647882 /nfs/dbraw/zinc/64/78/82/857647882.db2.gz ZIQCGZBDXPPORV-UHFFFAOYSA-N 1 0 382.533 3.820 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499596092 857663550 /nfs/dbraw/zinc/66/35/50/857663550.db2.gz YYGURADGLHJAQV-IAGOWNOFSA-N 1 0 378.476 3.694 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000593690675 857675936 /nfs/dbraw/zinc/67/59/36/857675936.db2.gz MSLDSEAXPGBMTN-UXHICEINSA-N 1 0 388.471 3.866 20 30 GHEDRO C[NH+](C)C1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)Cc2ccccc2C1 ZINC000466005265 857729440 /nfs/dbraw/zinc/72/94/40/857729440.db2.gz BRLPCVYZZUKEBT-UHFFFAOYSA-N 1 0 376.504 3.708 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC2(N3CCC(OC)CC3)CCCC2)cc1OC ZINC000594069748 857917347 /nfs/dbraw/zinc/91/73/47/857917347.db2.gz ZCKARHBINDHTAL-UHFFFAOYSA-N 1 0 388.552 3.773 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000466048888 858012175 /nfs/dbraw/zinc/01/21/75/858012175.db2.gz JYNDLUBZXYHUSS-CJNGLKHVSA-N 1 0 398.320 3.769 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000439010764 858032613 /nfs/dbraw/zinc/03/26/13/858032613.db2.gz XOEATRXFURTTIW-FPWFTKFVSA-N 1 0 389.927 3.802 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000439026840 858097119 /nfs/dbraw/zinc/09/71/19/858097119.db2.gz KARQMMRQJRPKFF-QGZVFWFLSA-N 1 0 378.476 3.626 20 30 GHEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000066436885 858125922 /nfs/dbraw/zinc/12/59/22/858125922.db2.gz ILZOPJIHWRKGDT-UHFFFAOYSA-N 1 0 388.471 3.866 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000594431599 858175138 /nfs/dbraw/zinc/17/51/38/858175138.db2.gz ONSWATGMCMYJPW-NRFANRHFSA-N 1 0 377.488 3.706 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000594443678 858178966 /nfs/dbraw/zinc/17/89/66/858178966.db2.gz RZMPWNMBUGDTAH-QGZVFWFLSA-N 1 0 378.314 3.566 20 30 GHEDRO CC(C)(C#N)c1ccc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000594505719 858195874 /nfs/dbraw/zinc/19/58/74/858195874.db2.gz WRIDLZJYAZVMJZ-NRFANRHFSA-N 1 0 376.504 3.550 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594552091 858202904 /nfs/dbraw/zinc/20/29/04/858202904.db2.gz YOYPIDGCSAYPDS-BVSLBCMMSA-N 1 0 382.552 3.545 20 30 GHEDRO CNC(=O)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc(F)cc1C ZINC000594510273 858204957 /nfs/dbraw/zinc/20/49/57/858204957.db2.gz IDIOGXRANPMDNY-IBGZPJMESA-N 1 0 381.495 3.630 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)c(Cl)n1 ZINC001128406265 858225023 /nfs/dbraw/zinc/22/50/23/858225023.db2.gz FUOBKJFEBXOHRV-GOSISDBHSA-N 1 0 382.895 3.637 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC000521696411 858239214 /nfs/dbraw/zinc/23/92/14/858239214.db2.gz KYODIZGILMPOKX-UHFFFAOYSA-N 1 0 375.513 3.652 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000443018125 858297333 /nfs/dbraw/zinc/29/73/33/858297333.db2.gz IOSVZZXSIBDDTL-AZUAARDMSA-N 1 0 397.544 3.713 20 30 GHEDRO Cc1cccc([C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)N2CCOCC2)c1 ZINC000594915214 858303340 /nfs/dbraw/zinc/30/33/40/858303340.db2.gz QKYKREZNIYMPQF-HSZRJFAPSA-N 1 0 375.516 3.713 20 30 GHEDRO Cc1ccc(F)cc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000594922215 858305228 /nfs/dbraw/zinc/30/52/28/858305228.db2.gz IUFUPYBLTMAAOQ-UHFFFAOYSA-N 1 0 387.458 3.774 20 30 GHEDRO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000521822585 858355668 /nfs/dbraw/zinc/35/56/68/858355668.db2.gz WRZXJWNHUIGTKE-CQSZACIVSA-N 1 0 375.394 3.886 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1OCCCC#N ZINC000594980859 858356571 /nfs/dbraw/zinc/35/65/71/858356571.db2.gz UMJCHNLPAJFXHS-UXHICEINSA-N 1 0 382.508 3.612 20 30 GHEDRO C=CCC[NH2+][C@H](c1nccn1CC)c1ccc(I)cc1 ZINC000595059461 858366327 /nfs/dbraw/zinc/36/63/27/858366327.db2.gz OYPCLHUYRVBYJB-HNNXBMFYSA-N 1 0 381.261 3.763 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000595248910 858451680 /nfs/dbraw/zinc/45/16/80/858451680.db2.gz DAJOIBRNMJDXEP-INIZCTEOSA-N 1 0 378.314 3.746 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC000595430101 858528338 /nfs/dbraw/zinc/52/83/38/858528338.db2.gz WJBBLRNTCMZKEU-OAQYLSRUSA-N 1 0 399.498 3.956 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCC3(C#N)CCCCC3)cc2)C[C@@H](C)O1 ZINC000595458536 858537790 /nfs/dbraw/zinc/53/77/90/858537790.db2.gz JSOSKWMQGUCIFB-RTBURBONSA-N 1 0 398.551 3.569 20 30 GHEDRO CSc1ccccc1OC[C@H](O)C[N@H+](CCc1ccc(C#N)cc1)C(C)C ZINC000595543831 858562419 /nfs/dbraw/zinc/56/24/19/858562419.db2.gz LNXDZJQDHDWWBK-HXUWFJFHSA-N 1 0 384.545 3.973 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000046890670 858611806 /nfs/dbraw/zinc/61/18/06/858611806.db2.gz CYALAZJSCUWUFJ-JOCHJYFZSA-N 1 0 394.519 3.791 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC[C@H]21 ZINC000248141854 858616943 /nfs/dbraw/zinc/61/69/43/858616943.db2.gz PRZZDXDYFZSHDT-JTHBVZDNSA-N 1 0 389.499 3.694 20 30 GHEDRO CC(C)([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000595639042 858625663 /nfs/dbraw/zinc/62/56/63/858625663.db2.gz FMZAQRKFRLTNEN-UHFFFAOYSA-N 1 0 391.515 3.591 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1OC ZINC000595639047 858626098 /nfs/dbraw/zinc/62/60/98/858626098.db2.gz FSAGUAMNUSRNOT-MRXNPFEDSA-N 1 0 395.503 3.668 20 30 GHEDRO CC(C)OCc1ccc(CNC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000595639463 858634496 /nfs/dbraw/zinc/63/44/96/858634496.db2.gz IIOYSCANRKHMCW-UHFFFAOYSA-N 1 0 379.504 3.624 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000595641018 858634836 /nfs/dbraw/zinc/63/48/36/858634836.db2.gz WWCUKIIOUYZDLB-UHFFFAOYSA-N 1 0 399.416 3.570 20 30 GHEDRO CN(CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)CC(F)(F)F ZINC000522113876 858636948 /nfs/dbraw/zinc/63/69/48/858636948.db2.gz WZGFPDSRCJFIKV-UHFFFAOYSA-N 1 0 377.410 3.721 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747105 858672892 /nfs/dbraw/zinc/67/28/92/858672892.db2.gz GHMCNJNKTINQKB-MOXGXCLJSA-N 1 0 397.906 3.637 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595747931 858673912 /nfs/dbraw/zinc/67/39/12/858673912.db2.gz PXZFTKNSGAXVHZ-XZOQPEGZSA-N 1 0 386.499 3.557 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000595780340 858685486 /nfs/dbraw/zinc/68/54/86/858685486.db2.gz IWAKVOQXNHBOGA-IBGZPJMESA-N 1 0 396.535 3.518 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1ccc(F)c(C)c1 ZINC000727242638 858743686 /nfs/dbraw/zinc/74/36/86/858743686.db2.gz ABNZWWANHBLJNY-UHFFFAOYSA-N 1 0 387.499 3.805 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593138011 858756716 /nfs/dbraw/zinc/75/67/16/858756716.db2.gz BBWKNQJGTIZGCZ-UHFFFAOYSA-N 1 0 378.476 3.827 20 30 GHEDRO COc1cccc([C@H](CNC(=O)NCC2(C#N)CCCCC2)[NH+]2CCCC2)c1 ZINC000596098460 858764166 /nfs/dbraw/zinc/76/41/66/858764166.db2.gz OCWHJYPYPZUUCK-FQEVSTJZSA-N 1 0 384.524 3.605 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2nc3ncccc3cc2C#N)CCOCC1)c1ccccc1 ZINC000596125573 858786133 /nfs/dbraw/zinc/78/61/33/858786133.db2.gz BXASCILEDSVSLB-QGZVFWFLSA-N 1 0 387.487 3.813 20 30 GHEDRO CC1(C)C[C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C(C)(C)O1 ZINC000132660002 858789462 /nfs/dbraw/zinc/78/94/62/858789462.db2.gz HJNUILTXZMHUFP-INIZCTEOSA-N 1 0 375.538 3.763 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000116064744 858809665 /nfs/dbraw/zinc/80/96/65/858809665.db2.gz KIOXTJFITLVEAF-QGZVFWFLSA-N 1 0 379.529 3.992 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000596269489 858832670 /nfs/dbraw/zinc/83/26/70/858832670.db2.gz VTFRMACJDMYHNQ-UHFFFAOYSA-N 1 0 378.520 3.921 20 30 GHEDRO N#Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(N)c1[N+](=O)[O-] ZINC000596524747 858922598 /nfs/dbraw/zinc/92/25/98/858922598.db2.gz FKJHHVFYAFEOQI-GOSISDBHSA-N 1 0 391.475 3.763 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000596502090 858929248 /nfs/dbraw/zinc/92/92/48/858929248.db2.gz BKUBWOUIHPCRDB-GOTSBHOMSA-N 1 0 390.531 3.990 20 30 GHEDRO CC(C)(NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596584290 858952220 /nfs/dbraw/zinc/95/22/20/858952220.db2.gz YPUVFZXZCFERNY-FQEVSTJZSA-N 1 0 376.504 3.615 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184542863 858956681 /nfs/dbraw/zinc/95/66/81/858956681.db2.gz SQEZKCPMMXFXAR-QKKBWIMNSA-N 1 0 382.533 3.886 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000522289403 858961795 /nfs/dbraw/zinc/96/17/95/858961795.db2.gz CHBHLQJYRZIYCL-OAQYLSRUSA-N 1 0 392.478 3.646 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596673221 858985946 /nfs/dbraw/zinc/98/59/46/858985946.db2.gz OJDGCDNWRLEKQK-UHFFFAOYSA-N 1 0 384.911 3.528 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)NCCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000596673444 858985984 /nfs/dbraw/zinc/98/59/84/858985984.db2.gz IRXGIUDKQAJSOX-HDICACEKSA-N 1 0 392.503 3.532 20 30 GHEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429309482 858986370 /nfs/dbraw/zinc/98/63/70/858986370.db2.gz RJBODPOUFXSFOM-MSOLQXFVSA-N 1 0 398.304 3.760 20 30 GHEDRO N#Cc1ccc(CCNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000596675145 858998919 /nfs/dbraw/zinc/99/89/19/858998919.db2.gz YDWSJGJHGSZCMH-UHFFFAOYSA-N 1 0 376.504 3.951 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000568143375 859011063 /nfs/dbraw/zinc/01/10/63/859011063.db2.gz OZLFPCDYSONJGZ-KMDXXIMOSA-N 1 0 375.516 3.815 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000654431354 859066411 /nfs/dbraw/zinc/06/64/11/859066411.db2.gz HAVIFLDIBUEMSM-UHFFFAOYSA-N 1 0 397.441 3.914 20 30 GHEDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1O ZINC000761196006 859072092 /nfs/dbraw/zinc/07/20/92/859072092.db2.gz RKVKJMAOYUTGPK-UHFFFAOYSA-N 1 0 399.878 3.777 20 30 GHEDRO CCCc1c(NC(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)cnn1-c1cccc(C#N)c1 ZINC000596854838 859099624 /nfs/dbraw/zinc/09/96/24/859099624.db2.gz SHZPJJXVDBIVMA-LJQANCHMSA-N 1 0 394.523 3.644 20 30 GHEDRO N#CCSCCC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429350905 859118520 /nfs/dbraw/zinc/11/85/20/859118520.db2.gz DKAVBEXAYZNKTN-WIYYLYMNSA-N 1 0 386.492 3.813 20 30 GHEDRO Cc1c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)[nH]c2ccc1Br ZINC000596926158 859178968 /nfs/dbraw/zinc/17/89/68/859178968.db2.gz NNXFCPCXZHUPLT-UHFFFAOYSA-N 1 0 391.313 3.546 20 30 GHEDRO [NH2+]=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000187134083 859195151 /nfs/dbraw/zinc/19/51/51/859195151.db2.gz GXYOBOKAYKVNCQ-YGRLFVJLSA-N 1 0 399.335 3.795 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000601390796 859237455 /nfs/dbraw/zinc/23/74/55/859237455.db2.gz IIITZTAKBUBDKA-UZLBHIALSA-N 1 0 385.870 3.968 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000060441534 859273439 /nfs/dbraw/zinc/27/34/39/859273439.db2.gz MWRHXTNOHHTYFA-LJQANCHMSA-N 1 0 391.515 3.874 20 30 GHEDRO COc1cccc(Nc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)nc2)c1 ZINC000597089027 859277344 /nfs/dbraw/zinc/27/73/44/859277344.db2.gz SDKFJPHFPSARQR-UHFFFAOYSA-N 1 0 396.495 3.533 20 30 GHEDRO C[C@H](CCc1ccccc1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593294770 859306812 /nfs/dbraw/zinc/30/68/12/859306812.db2.gz NROHQHOITKGQOB-LJQANCHMSA-N 1 0 390.531 3.843 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000550571640 859323156 /nfs/dbraw/zinc/32/31/56/859323156.db2.gz JVBIOYLRBZSRSY-FRIKZZABSA-N 1 0 388.515 3.550 20 30 GHEDRO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCC[C@H](CC#N)C3)cc2OC)o1 ZINC000597177629 859337704 /nfs/dbraw/zinc/33/77/04/859337704.db2.gz QSVCZNUEXBDRHW-MRXNPFEDSA-N 1 0 398.459 3.779 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2Cc3cccc(C#N)c3C2)cc1 ZINC000593305364 859351257 /nfs/dbraw/zinc/35/12/57/859351257.db2.gz URSNYTYZXQWQHN-UHFFFAOYSA-N 1 0 392.503 3.504 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCc3cccc(F)c3)CC2)cc1 ZINC000069127120 859356521 /nfs/dbraw/zinc/35/65/21/859356521.db2.gz LMKHQWWEHFHQLZ-UHFFFAOYSA-N 1 0 394.494 3.547 20 30 GHEDRO C=CCOCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000470779487 859417725 /nfs/dbraw/zinc/41/77/25/859417725.db2.gz ARNRJSWMWOSSFI-UHFFFAOYSA-N 1 0 381.314 3.692 20 30 GHEDRO CN(CC(=O)N(CCC#N)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200558 859493260 /nfs/dbraw/zinc/49/32/60/859493260.db2.gz BDKMJPUFDMGWLW-UHFFFAOYSA-N 1 0 390.531 3.530 20 30 GHEDRO Cc1ccc2ccccc2c1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000764564092 859510185 /nfs/dbraw/zinc/51/01/85/859510185.db2.gz NWFVWELYSGRMBY-UHFFFAOYSA-N 1 0 389.499 3.946 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC000764587247 859517596 /nfs/dbraw/zinc/51/75/96/859517596.db2.gz OXCVUKOWYTXLNH-UHFFFAOYSA-N 1 0 386.883 3.718 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC2CC2)cc1 ZINC000597421097 859522734 /nfs/dbraw/zinc/52/27/34/859522734.db2.gz FGJYIOTUSGZCGL-FQEVSTJZSA-N 1 0 390.535 3.539 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000522418031 859524473 /nfs/dbraw/zinc/52/44/73/859524473.db2.gz CTTGDYWXZNKHKI-FQEVSTJZSA-N 1 0 388.552 3.916 20 30 GHEDRO CC[C@H](Oc1ccccc1F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352507 859535184 /nfs/dbraw/zinc/53/51/84/859535184.db2.gz CVTZUOLQOBYXBZ-NRFANRHFSA-N 1 0 395.478 3.636 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000597440046 859550022 /nfs/dbraw/zinc/55/00/22/859550022.db2.gz LKKSAZGOWHMURJ-OAQYLSRUSA-N 1 0 392.478 3.551 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ncoc3-c3ccccc3)CC2)c1 ZINC000593354535 859555126 /nfs/dbraw/zinc/55/51/26/859555126.db2.gz QSXNHDVTPTZFND-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCOc3cccc(Cl)c3)CC2)c1 ZINC000593354648 859555725 /nfs/dbraw/zinc/55/57/25/859555725.db2.gz JOSMDSCKVMTQCC-UHFFFAOYSA-N 1 0 397.906 3.761 20 30 GHEDRO [NH3+]C1CCN(c2cncc(NC3=C(c4ccccc4)C(=O)c4ccccc43)n2)CC1 ZINC001168411269 859557218 /nfs/dbraw/zinc/55/72/18/859557218.db2.gz TYQKYZAGAPRQCW-UHFFFAOYSA-N 1 0 397.482 3.581 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000597479007 859565951 /nfs/dbraw/zinc/56/59/51/859565951.db2.gz YCVXJAKICSTJDI-OAQYLSRUSA-N 1 0 377.463 3.530 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)c1 ZINC000593356817 859575543 /nfs/dbraw/zinc/57/55/43/859575543.db2.gz SNHFOFLZSRFLQX-RZUBCFFCSA-N 1 0 380.536 3.791 20 30 GHEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000106245508 859587214 /nfs/dbraw/zinc/58/72/14/859587214.db2.gz SNKNWZTZMYPAPE-UHFFFAOYSA-N 1 0 381.520 3.799 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CC[NH+](CC(C)C)CC3)c(=S)o2)cc1 ZINC000764859743 859640715 /nfs/dbraw/zinc/64/07/15/859640715.db2.gz MOULCUUDCGSLLR-UHFFFAOYSA-N 1 0 388.537 3.668 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cncc(Br)c3)C2)c(F)c1 ZINC000466470709 859641396 /nfs/dbraw/zinc/64/13/96/859641396.db2.gz AXKNNPZFUCURLO-INIZCTEOSA-N 1 0 389.272 3.613 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CNc2cccc(C[NH+](C)C)c2)cc1 ZINC000601930083 859646902 /nfs/dbraw/zinc/64/69/02/859646902.db2.gz FLBAOXGLWDBQML-UHFFFAOYSA-N 1 0 380.492 3.506 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000552059223 859670541 /nfs/dbraw/zinc/67/05/41/859670541.db2.gz SHQCWGXUURQEIB-ZHODDXKCSA-N 1 0 377.488 3.826 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2=O)ccc1Br ZINC000185189247 859672866 /nfs/dbraw/zinc/67/28/66/859672866.db2.gz JLNHPBPKEOEXFQ-INIZCTEOSA-N 1 0 390.306 3.586 20 30 GHEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000611320340 859691079 /nfs/dbraw/zinc/69/10/79/859691079.db2.gz GQRFZZZLGFDTLP-MRXNPFEDSA-N 1 0 383.410 3.848 20 30 GHEDRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1c(C)noc1C ZINC000593384903 859697264 /nfs/dbraw/zinc/69/72/64/859697264.db2.gz WXEVSALUPSWNKQ-HXUWFJFHSA-N 1 0 395.507 3.578 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1C ZINC000611350078 859713904 /nfs/dbraw/zinc/71/39/04/859713904.db2.gz AQKIAAANIFMGCN-LEWJYISDSA-N 1 0 383.536 3.689 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN(C)[C@@H]3CC[N@@H+](C4CC4)C3)c(=S)o2)cc1 ZINC000764987834 859718925 /nfs/dbraw/zinc/71/89/25/859718925.db2.gz AGONQPGNKSIWGK-QGZVFWFLSA-N 1 0 386.521 3.563 20 30 GHEDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000611387420 859731945 /nfs/dbraw/zinc/73/19/45/859731945.db2.gz NSAUJJIOEYXWIS-KBPBESRZSA-N 1 0 386.293 3.849 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000611391079 859742299 /nfs/dbraw/zinc/74/22/99/859742299.db2.gz RAUUDEMUGYYHQC-IBGZPJMESA-N 1 0 398.304 3.718 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(COc3ccccc3C#N)c1)C2 ZINC000597715533 859760382 /nfs/dbraw/zinc/76/03/82/859760382.db2.gz LQKDDAHGPUQJJY-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000611500965 859786739 /nfs/dbraw/zinc/78/67/39/859786739.db2.gz ABTHRBVJNBMUQY-OAHLLOKOSA-N 1 0 379.298 3.732 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC000611503188 859788250 /nfs/dbraw/zinc/78/82/50/859788250.db2.gz SKDXRNLQHBZELJ-UGKGYDQZSA-N 1 0 382.479 3.901 20 30 GHEDRO N#Cc1ccccc1NC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000602186364 859846481 /nfs/dbraw/zinc/84/64/81/859846481.db2.gz NWLLNZLCMFQWDF-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1OC ZINC000765248358 859864462 /nfs/dbraw/zinc/86/44/62/859864462.db2.gz WNTJPAMIPOQFCG-UTKZUKDTSA-N 1 0 394.515 3.683 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000602322351 859954342 /nfs/dbraw/zinc/95/43/42/859954342.db2.gz WLDQISRIOQFHGU-JQFCIGGWSA-N 1 0 382.430 3.690 20 30 GHEDRO COc1ccc2c(c1)[nH+]ccc2N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000765480637 859989010 /nfs/dbraw/zinc/98/90/10/859989010.db2.gz IOHTXTOBQMJKLQ-UHFFFAOYSA-N 1 0 386.455 3.970 20 30 GHEDRO C#CCN(C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000921514105 859989569 /nfs/dbraw/zinc/98/95/69/859989569.db2.gz IIGXFEORKDUVQN-FQEVSTJZSA-N 1 0 381.520 3.562 20 30 GHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508916453 859996700 /nfs/dbraw/zinc/99/67/00/859996700.db2.gz GKSOBLVRNXSFND-UHFFFAOYSA-N 1 0 395.551 3.636 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]Cc1cccc(C#N)c1)CCO2 ZINC000921522016 860011803 /nfs/dbraw/zinc/01/18/03/860011803.db2.gz PZHOLSQLYLJTPR-IBGZPJMESA-N 1 0 385.508 3.597 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484484804 860023706 /nfs/dbraw/zinc/02/37/06/860023706.db2.gz COTVXBICOWYDBC-IUODEOHRSA-N 1 0 382.386 3.547 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508921619 860024808 /nfs/dbraw/zinc/02/48/08/860024808.db2.gz MDVAMESMNLCIQX-LJQANCHMSA-N 1 0 377.492 3.682 20 30 GHEDRO C[C@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511167 860070406 /nfs/dbraw/zinc/07/04/06/860070406.db2.gz UEOHALZURFGMLI-INIZCTEOSA-N 1 0 394.544 3.913 20 30 GHEDRO N#Cc1cccc(CNCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000602509486 860082619 /nfs/dbraw/zinc/08/26/19/860082619.db2.gz HJDRRRKZGJZTBL-UHFFFAOYSA-N 1 0 397.526 3.565 20 30 GHEDRO C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)Oc1ccccc1Br ZINC000602565288 860116169 /nfs/dbraw/zinc/11/61/69/860116169.db2.gz DXLCTKVSRKVWNX-LSDHHAIUSA-N 1 0 381.314 3.905 20 30 GHEDRO C[C@H](c1noc(C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1)c1ccc(Br)cc1 ZINC000904105189 860129105 /nfs/dbraw/zinc/12/91/05/860129105.db2.gz AVCDINRDHQGNNJ-BTTVTARESA-N 1 0 387.281 3.591 20 30 GHEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000602591299 860131703 /nfs/dbraw/zinc/13/17/03/860131703.db2.gz YOWRGBIYWMRZGA-VBKZILBWSA-N 1 0 392.471 3.987 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000602586271 860150676 /nfs/dbraw/zinc/15/06/76/860150676.db2.gz ORCLBZNOSBROOP-IBGZPJMESA-N 1 0 390.531 3.833 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@@H]1C ZINC000484600885 860159945 /nfs/dbraw/zinc/15/99/45/860159945.db2.gz FJAGCKQMFMAQHE-MAUKXSAKSA-N 1 0 397.548 3.942 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1 ZINC000499912230 860171179 /nfs/dbraw/zinc/17/11/79/860171179.db2.gz IKEPPRLSVOXJRS-RCOXNQKVSA-N 1 0 391.515 3.969 20 30 GHEDRO C=CCC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000417909754 860219620 /nfs/dbraw/zinc/21/96/20/860219620.db2.gz DHLFAEJZWPAKNB-KBPBESRZSA-N 1 0 379.373 3.994 20 30 GHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508955735 860254469 /nfs/dbraw/zinc/25/44/69/860254469.db2.gz JEVKXJPXEHTUDS-UHFFFAOYSA-N 1 0 386.500 3.594 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccnc1 ZINC000922604311 860305093 /nfs/dbraw/zinc/30/50/93/860305093.db2.gz YOSLEUNVLZKFGG-LEWJYISDSA-N 1 0 379.508 3.809 20 30 GHEDRO N#CCCCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000598510741 860370905 /nfs/dbraw/zinc/37/09/05/860370905.db2.gz PMHDLRJAVJGQQX-FQEVSTJZSA-N 1 0 386.499 3.949 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484856750 860411919 /nfs/dbraw/zinc/41/19/19/860411919.db2.gz MIWPURYWGLTOHC-HSALFYBXSA-N 1 0 389.588 3.918 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000896140441 860417737 /nfs/dbraw/zinc/41/77/37/860417737.db2.gz RZKVLYVONWUMLC-QHCPKHFHSA-N 1 0 375.472 3.870 20 30 GHEDRO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@@H](O)CC(C)(C)C#N)OCCO3 ZINC000598587452 860433906 /nfs/dbraw/zinc/43/39/06/860433906.db2.gz QQJVLLYPYNBIDL-SJORKVTESA-N 1 0 384.520 3.947 20 30 GHEDRO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@H](O)CC(C)(C)C#N)OCCO3 ZINC000598587442 860434080 /nfs/dbraw/zinc/43/40/80/860434080.db2.gz QQJVLLYPYNBIDL-DLBZAZTESA-N 1 0 384.520 3.947 20 30 GHEDRO CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1C#N ZINC000603032329 860439948 /nfs/dbraw/zinc/43/99/48/860439948.db2.gz HLIDNYSCDLWMQF-KBXCAEBGSA-N 1 0 390.915 3.969 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(c3cc(C#N)c4ccccc4n3)CC2)C[C@@H](C)O1 ZINC000330243427 860489723 /nfs/dbraw/zinc/48/97/23/860489723.db2.gz WUUTYAYFEHXJKA-QZTJIDSGSA-N 1 0 378.520 3.822 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000509001165 860503988 /nfs/dbraw/zinc/50/39/88/860503988.db2.gz MBTZDUBYMXHGLL-SFHVURJKSA-N 1 0 390.535 3.847 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000552340162 860511414 /nfs/dbraw/zinc/51/14/14/860511414.db2.gz MAOFEDJGCZUHQB-RDJZCZTQSA-N 1 0 377.414 3.875 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000509010871 860534760 /nfs/dbraw/zinc/53/47/60/860534760.db2.gz LHKKFJXVTPIRPT-SFHVURJKSA-N 1 0 392.551 3.791 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583602 881551677 /nfs/dbraw/zinc/55/16/77/881551677.db2.gz LIAGJNUUGLBZBK-FQEVSTJZSA-N 1 0 384.911 3.712 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000921597260 860548675 /nfs/dbraw/zinc/54/86/75/860548675.db2.gz VRWHMJACWDAYII-KDURUIRLSA-N 1 0 391.515 3.714 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000331260530 860572375 /nfs/dbraw/zinc/57/23/75/860572375.db2.gz AYBXRUJHJHZKTK-DOMZBBRYSA-N 1 0 384.402 3.793 20 30 GHEDRO COc1ccc(OCCN(C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000125096255 860580034 /nfs/dbraw/zinc/58/00/34/860580034.db2.gz DQDXNEDUPTXJMJ-UHFFFAOYSA-N 1 0 391.471 3.757 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000922793847 860601238 /nfs/dbraw/zinc/60/12/38/860601238.db2.gz HMEQCVNZZULGFW-IBGZPJMESA-N 1 0 395.507 3.563 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000102845697 860605677 /nfs/dbraw/zinc/60/56/77/860605677.db2.gz KIPQPDVXVZSBRZ-PXNSSMCTSA-N 1 0 380.467 3.647 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccsc3Br)CC2)nc1 ZINC000598960082 860690068 /nfs/dbraw/zinc/69/00/68/860690068.db2.gz AGZNSWVOALVAAA-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)n(-c2ccc(C#N)cc2)n1 ZINC000557026979 881569671 /nfs/dbraw/zinc/56/96/71/881569671.db2.gz RAIINTOWZZDEQU-KRWDZBQOSA-N 1 0 394.523 3.553 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000593692805 860861441 /nfs/dbraw/zinc/86/14/41/860861441.db2.gz KKBNPDRKZPZRMA-UHFFFAOYSA-N 1 0 384.867 3.874 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCc2nnc3n2CCCCC3)cc1OC ZINC000623350923 860911020 /nfs/dbraw/zinc/91/10/20/860911020.db2.gz YPSDEYVSAQIEKZ-UHFFFAOYSA-N 1 0 390.915 3.564 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000623378063 860951941 /nfs/dbraw/zinc/95/19/41/860951941.db2.gz RDQFYYSORPHAMQ-UHFFFAOYSA-N 1 0 395.908 3.607 20 30 GHEDRO CCOc1ccccc1NC(=O)CC[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000329027164 860957218 /nfs/dbraw/zinc/95/72/18/860957218.db2.gz KBUXOAGIKOEUGC-UHFFFAOYSA-N 1 0 387.524 3.930 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC[C@@H]21 ZINC000155478853 860968690 /nfs/dbraw/zinc/96/86/90/860968690.db2.gz VCCPZCWMOJGFKS-REWPJTCUSA-N 1 0 389.499 3.694 20 30 GHEDRO Cc1nc(C2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)[nH]c1C ZINC000899506560 860973750 /nfs/dbraw/zinc/97/37/50/860973750.db2.gz PXJNEGSZFNZOPC-UHFFFAOYSA-N 1 0 380.492 3.854 20 30 GHEDRO CCC[N@@H+](Cc1ccccc1Br)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599274713 860997806 /nfs/dbraw/zinc/99/78/06/860997806.db2.gz YHBGHPBCBAXYLH-QGZVFWFLSA-N 1 0 395.341 3.732 20 30 GHEDRO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000600106786 860999650 /nfs/dbraw/zinc/99/96/50/860999650.db2.gz HXUPRMMERCHDAR-CAOCKLPOSA-N 1 0 387.527 3.838 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000593723529 861022268 /nfs/dbraw/zinc/02/22/68/861022268.db2.gz XEWDRYLHNOBMPW-KRWDZBQOSA-N 1 0 388.515 3.758 20 30 GHEDRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C2CCC(=O)CC2)CC1 ZINC000329108602 861024086 /nfs/dbraw/zinc/02/40/86/861024086.db2.gz FPWMAPJRBVCQIQ-UHFFFAOYSA-N 1 0 394.313 3.548 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)CC2)c1 ZINC000593725667 861029873 /nfs/dbraw/zinc/02/98/73/861029873.db2.gz PORFIBORMIMSGY-OAQYLSRUSA-N 1 0 378.524 3.552 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000329111370 861030295 /nfs/dbraw/zinc/03/02/95/861030295.db2.gz GQXILJGMONEIHF-KRWDZBQOSA-N 1 0 377.554 3.821 20 30 GHEDRO N#CC1(C[C@@H](O)CN2CCSC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599294109 861036431 /nfs/dbraw/zinc/03/64/31/861036431.db2.gz BVWSUAZKXXZFJJ-QZTJIDSGSA-N 1 0 380.941 3.501 20 30 GHEDRO CC[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000603688116 861043675 /nfs/dbraw/zinc/04/36/75/861043675.db2.gz ZLOLFNIRLNDCJN-JOCHJYFZSA-N 1 0 393.556 3.745 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000603689252 861046486 /nfs/dbraw/zinc/04/64/86/861046486.db2.gz FDNWUPMMXGDRGY-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[N@@H+]1CCC[C@H](C)C1 ZINC000603689328 861046498 /nfs/dbraw/zinc/04/64/98/861046498.db2.gz HUAUHCPAPHSZHD-DLBZAZTESA-N 1 0 393.491 3.987 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000603696362 861053940 /nfs/dbraw/zinc/05/39/40/861053940.db2.gz BRGMNHBEIHABIM-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCc2cccc(C(=O)NC)c2)cc1OC ZINC000623427885 861054529 /nfs/dbraw/zinc/05/45/29/861054529.db2.gz PWAISBSLAMKTQN-UHFFFAOYSA-N 1 0 388.895 3.605 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000599384888 861147848 /nfs/dbraw/zinc/14/78/48/861147848.db2.gz VKGOGGUBZDPDKH-AYOQOUSVSA-N 1 0 379.907 3.647 20 30 GHEDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329233144 861178522 /nfs/dbraw/zinc/17/85/22/861178522.db2.gz LTDVDMQJQRCRTR-DXBBTUNJSA-N 1 0 385.552 3.753 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc2ccccc21)C(C)C ZINC000062205175 863070539 /nfs/dbraw/zinc/07/05/39/863070539.db2.gz SLKXZYBSTPWWRU-OAQYLSRUSA-N 1 0 379.504 3.593 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000733799999 863193182 /nfs/dbraw/zinc/19/31/82/863193182.db2.gz QBXPULAXCSXZBZ-LJQANCHMSA-N 1 0 386.540 3.821 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000182475855 863241440 /nfs/dbraw/zinc/24/14/40/863241440.db2.gz FOWQNPSQTCRBSB-UHFFFAOYSA-N 1 0 393.413 3.663 20 30 GHEDRO N#CC1(NC(=O)CCn2ccc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000482552563 863297370 /nfs/dbraw/zinc/29/73/70/863297370.db2.gz MJCUKDLCWAAUAD-UHFFFAOYSA-N 1 0 386.499 3.706 20 30 GHEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000281873907 863445030 /nfs/dbraw/zinc/44/50/30/863445030.db2.gz CMAWINJXFCPPID-UHFFFAOYSA-N 1 0 397.441 3.855 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522831510 863501810 /nfs/dbraw/zinc/50/18/10/863501810.db2.gz PYOHXYGJBNFWAO-IBGZPJMESA-N 1 0 378.476 3.591 20 30 GHEDRO COc1ccc2c(c1)[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CCC2 ZINC000593961620 863512861 /nfs/dbraw/zinc/51/28/61/863512861.db2.gz LEVCPCGVFRUACU-QFIPXVFZSA-N 1 0 391.515 3.577 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)c(OC)c1 ZINC000606449782 863624837 /nfs/dbraw/zinc/62/48/37/863624837.db2.gz DLHUIEIOGKEORH-UZLBHIALSA-N 1 0 385.479 3.922 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000593987590 863642327 /nfs/dbraw/zinc/64/23/27/863642327.db2.gz UKRLVMZHYSAAIO-SELNLUPBSA-N 1 0 375.516 3.764 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1OCC ZINC000469864021 863655427 /nfs/dbraw/zinc/65/54/27/863655427.db2.gz QYYINUYZEBJTOZ-DZGCQCFKSA-N 1 0 383.330 3.582 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000143230821 863684173 /nfs/dbraw/zinc/68/41/73/863684173.db2.gz ASNRWAOEURZVHX-PGRDOPGGSA-N 1 0 377.488 3.587 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000594017080 863752245 /nfs/dbraw/zinc/75/22/45/863752245.db2.gz QIAFJWWJRAUXQE-ZWKOTPCHSA-N 1 0 399.834 3.508 20 30 GHEDRO CCc1csc(CC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000594019330 863758418 /nfs/dbraw/zinc/75/84/18/863758418.db2.gz KMWQYFBIQWTOKB-UHFFFAOYSA-N 1 0 382.533 3.860 20 30 GHEDRO N#CCC[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000132740500 881694083 /nfs/dbraw/zinc/69/40/83/881694083.db2.gz WSLLLRMUGHDMSV-GGAORHGYSA-N 1 0 390.531 3.895 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CCC2)cc1 ZINC000594033180 863805185 /nfs/dbraw/zinc/80/51/85/863805185.db2.gz XSJDIXJSBLMTHI-FYYLOGMGSA-N 1 0 376.500 3.982 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000594043935 863888154 /nfs/dbraw/zinc/88/81/54/863888154.db2.gz MYSOEZCXEAFOKM-WOJBJXKFSA-N 1 0 375.516 3.717 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000733998420 863932971 /nfs/dbraw/zinc/93/29/71/863932971.db2.gz VHUHHJOEZHEOTG-IBGZPJMESA-N 1 0 398.466 3.519 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000480090521 864017556 /nfs/dbraw/zinc/01/75/56/864017556.db2.gz COUZSTXWBYTSEN-QUCCMNQESA-N 1 0 377.488 3.820 20 30 GHEDRO N#Cc1c(C#N)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2c1CCCCCC2 ZINC000480083350 864029470 /nfs/dbraw/zinc/02/94/70/864029470.db2.gz HNGKDPPCSCYWGU-SBUREZEXSA-N 1 0 389.547 3.937 20 30 GHEDRO COc1ccc2c(c1)CCC[C@H]2CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000164299649 864107808 /nfs/dbraw/zinc/10/78/08/864107808.db2.gz LKGMAKDEMZCCLO-INIZCTEOSA-N 1 0 381.476 3.703 20 30 GHEDRO C[C@@H](NC(=O)NCCSCc1ccccc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000554468185 864380373 /nfs/dbraw/zinc/38/03/73/864380373.db2.gz LKTWMYSJPBDLCU-UTKZUKDTSA-N 1 0 396.560 3.782 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1 ZINC000734663952 864390439 /nfs/dbraw/zinc/39/04/39/864390439.db2.gz QSJITEAZJLNCSC-YLJYHZDGSA-N 1 0 384.549 3.972 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)Nc1cc(C#N)ccc1OCCOC)c1ccccc1 ZINC000184419901 864456524 /nfs/dbraw/zinc/45/65/24/864456524.db2.gz UFEYJYPOLXJKDR-OAQYLSRUSA-N 1 0 381.476 3.605 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734844464 864472488 /nfs/dbraw/zinc/47/24/88/864472488.db2.gz YMZIWFISRVZNLJ-VQTJNVASSA-N 1 0 391.437 3.661 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCCc2nc(C)ncc21 ZINC000734851536 864480644 /nfs/dbraw/zinc/48/06/44/864480644.db2.gz DMHHWDCSNGQNCQ-KRWDZBQOSA-N 1 0 386.293 3.727 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC000163652852 864549025 /nfs/dbraw/zinc/54/90/25/864549025.db2.gz GZYFKQVGHCQNRK-YLJYHZDGSA-N 1 0 390.959 3.557 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000025867503 864601220 /nfs/dbraw/zinc/60/12/20/864601220.db2.gz GXFKXKHYXWAWPJ-KSSFIOAISA-N 1 0 389.293 3.606 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000063400795 864657954 /nfs/dbraw/zinc/65/79/54/864657954.db2.gz RSLSKAHPYXVEKH-UHFFFAOYSA-N 1 0 376.504 3.778 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735212884 864663240 /nfs/dbraw/zinc/66/32/40/864663240.db2.gz FIFIWPIYEARWCY-GOSISDBHSA-N 1 0 375.428 3.682 20 30 GHEDRO C=CCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000475309744 864758690 /nfs/dbraw/zinc/75/86/90/864758690.db2.gz XZDJPYZSKOLLOG-OAQYLSRUSA-N 1 0 394.515 3.779 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)o1 ZINC000184655334 864805119 /nfs/dbraw/zinc/80/51/19/864805119.db2.gz KZQJAADTVUBASD-MRXNPFEDSA-N 1 0 387.505 3.706 20 30 GHEDRO C#CCN(CC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000735586836 864864744 /nfs/dbraw/zinc/86/47/44/864864744.db2.gz PSVGCZSBIMDYSC-FUHWJXTLSA-N 1 0 381.442 3.753 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)C(C)C ZINC000043797049 864882703 /nfs/dbraw/zinc/88/27/03/864882703.db2.gz OVYCYJFDHGFOMJ-OAQYLSRUSA-N 1 0 398.551 3.743 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000184816868 864963790 /nfs/dbraw/zinc/96/37/90/864963790.db2.gz YJJJZYQOWVWTMN-FQEVSTJZSA-N 1 0 391.471 3.831 20 30 GHEDRO C[NH+]=C(NCc1ccccc1CN1CCCC1=O)N1CCC2(C1)CCCCC2 ZINC000262497543 865084429 /nfs/dbraw/zinc/08/44/29/865084429.db2.gz WYXLSEOEQKJLQL-UHFFFAOYSA-N 1 0 382.552 3.541 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](OC)c1ccccc1 ZINC000554897272 865132002 /nfs/dbraw/zinc/13/20/02/865132002.db2.gz ZYIGSUYTENRMTA-LJQANCHMSA-N 1 0 386.565 3.972 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3cc(C#N)c4ccccc4n3)cc2F)CC1 ZINC000736288751 865177720 /nfs/dbraw/zinc/17/77/20/865177720.db2.gz SOHGOKDHAKTTIV-UHFFFAOYSA-N 1 0 389.478 4.000 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899048498 865181693 /nfs/dbraw/zinc/18/16/93/865181693.db2.gz KVXGUTXLXXPFGA-INIZCTEOSA-N 1 0 379.892 3.621 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2nc(C)nc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000301168927 865202306 /nfs/dbraw/zinc/20/23/06/865202306.db2.gz IXHHKSDEJITYFF-UHFFFAOYSA-N 1 0 388.537 3.937 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000171714915 865341363 /nfs/dbraw/zinc/34/13/63/865341363.db2.gz IMYSOAIUBRJKBN-UHFFFAOYSA-N 1 0 375.472 3.517 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1cccc(F)c1 ZINC000594215761 865419217 /nfs/dbraw/zinc/41/92/17/865419217.db2.gz PHTWXXSTBNNGPE-HXUWFJFHSA-N 1 0 380.467 3.679 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC001168425016 865463440 /nfs/dbraw/zinc/46/34/40/865463440.db2.gz ZFRBIDUKZGHKRR-AEFFLSMTSA-N 1 0 393.325 3.530 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H]1[NH+]1CCCC1 ZINC000444369381 865531903 /nfs/dbraw/zinc/53/19/03/865531903.db2.gz RQWAIOWZRGKLPW-NHCUHLMSSA-N 1 0 396.560 3.597 20 30 GHEDRO CS[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H]1[NH+]1CCCC1 ZINC000444369382 865533371 /nfs/dbraw/zinc/53/33/71/865533371.db2.gz RQWAIOWZRGKLPW-RTWAWAEBSA-N 1 0 396.560 3.597 20 30 GHEDRO CCC[NH+]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000172336936 865556150 /nfs/dbraw/zinc/55/61/50/865556150.db2.gz LEHHBAVVPWAARF-UHFFFAOYSA-N 1 0 392.503 3.891 20 30 GHEDRO C[C@@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000594250356 865605613 /nfs/dbraw/zinc/60/56/13/865605613.db2.gz ONEUEGAHIIFXOK-IEBWSBKVSA-N 1 0 380.536 3.890 20 30 GHEDRO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000594299273 865707005 /nfs/dbraw/zinc/70/70/05/865707005.db2.gz HJIKBKLKPMOCEF-OAQYLSRUSA-N 1 0 399.498 3.821 20 30 GHEDRO C=C(C)Cn1c(CC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000555268232 865805600 /nfs/dbraw/zinc/80/56/00/865805600.db2.gz IVVQHBJXDXPPKD-SFTDATJTSA-N 1 0 379.552 3.908 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC3CC[NH+](C4CC4)CC3)c2)s1 ZINC000740027474 865846724 /nfs/dbraw/zinc/84/67/24/865846724.db2.gz OXTWTDXQFXPMMF-UHFFFAOYSA-N 1 0 380.517 3.713 20 30 GHEDRO COC(=O)[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000740194561 865872570 /nfs/dbraw/zinc/87/25/70/865872570.db2.gz QXQZGTXYPPQBGF-NRFANRHFSA-N 1 0 392.455 3.615 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740443251 865911393 /nfs/dbraw/zinc/91/13/93/865911393.db2.gz CFUDXZPDOWLEMF-KRWDZBQOSA-N 1 0 382.533 3.816 20 30 GHEDRO COc1cccc(C[N@H+](CCOc2ccccc2C#N)C2CCC(O)CC2)c1 ZINC000609040393 865914759 /nfs/dbraw/zinc/91/47/59/865914759.db2.gz BVPQELPQEGFWDV-UHFFFAOYSA-N 1 0 380.488 3.751 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481188698 865967351 /nfs/dbraw/zinc/96/73/51/865967351.db2.gz IKOGWNAWMPSWGF-HNNXBMFYSA-N 1 0 390.447 3.616 20 30 GHEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000740886926 866078880 /nfs/dbraw/zinc/07/88/80/866078880.db2.gz HCGOKSWCHRUKBM-SJLPKXTDSA-N 1 0 380.492 3.802 20 30 GHEDRO CO[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000262516712 866110917 /nfs/dbraw/zinc/11/09/17/866110917.db2.gz GOBVPSOFYNKXNQ-GOSISDBHSA-N 1 0 375.856 3.616 20 30 GHEDRO Cc1ccccc1COCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000857034940 881947448 /nfs/dbraw/zinc/94/74/48/881947448.db2.gz CLLNIFCPGPGJQZ-UHFFFAOYSA-N 1 0 392.499 3.861 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000761625808 881952398 /nfs/dbraw/zinc/95/23/98/881952398.db2.gz XYYBZTFLLXVIBY-OEWRPIJISA-N 1 0 392.503 3.867 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)/C=C\c3ccccc3C#N)CC[N@@H+]2C)cc1 ZINC000741120854 866242937 /nfs/dbraw/zinc/24/29/37/866242937.db2.gz NCLBONKIXBIZQO-FTMHIWKKSA-N 1 0 376.456 3.816 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000183139837 866267487 /nfs/dbraw/zinc/26/74/87/866267487.db2.gz PBXHRVYZKCGPRJ-DLBZAZTESA-N 1 0 379.508 3.563 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](CCC)CC1 ZINC000508825910 866305815 /nfs/dbraw/zinc/30/58/15/866305815.db2.gz LXAFFYULYRQFBG-GOSISDBHSA-N 1 0 399.539 3.535 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508492929 866307770 /nfs/dbraw/zinc/30/77/70/866307770.db2.gz XJRZLPTXEBPQMA-JXFKEZNVSA-N 1 0 381.499 3.723 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[NH+](C(C)C)C(C)C)cc1C ZINC000149927409 866357397 /nfs/dbraw/zinc/35/73/97/866357397.db2.gz XGCXONLPDUGPIO-UHFFFAOYSA-N 1 0 395.551 3.929 20 30 GHEDRO N#CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000067546412 866358497 /nfs/dbraw/zinc/35/84/97/866358497.db2.gz ZDOPVLSTZXBJLK-UHFFFAOYSA-N 1 0 378.476 3.623 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000534332928 866577579 /nfs/dbraw/zinc/57/75/79/866577579.db2.gz NORRGJRZONOCJX-UHFFFAOYSA-N 1 0 382.460 3.781 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)ccc1OC ZINC000857076916 881991091 /nfs/dbraw/zinc/99/10/91/881991091.db2.gz YYEJXOBGDIQXND-AZUAARDMSA-N 1 0 393.487 3.964 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444685733 867030012 /nfs/dbraw/zinc/03/00/12/867030012.db2.gz PONFUXZGHULQRW-LJQANCHMSA-N 1 0 391.515 3.994 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000742164809 867088669 /nfs/dbraw/zinc/08/86/69/867088669.db2.gz GBGKTHVOLDKKEH-VGSWGCGISA-N 1 0 387.487 3.853 20 30 GHEDRO C=CC[N@@H+](CCOc1cccc(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000553319837 867213136 /nfs/dbraw/zinc/21/31/36/867213136.db2.gz FEHKGFUUVYYSQF-INIZCTEOSA-N 1 0 383.883 3.944 20 30 GHEDRO C=C[C@H](CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000534674693 867264003 /nfs/dbraw/zinc/26/40/03/867264003.db2.gz AHBGFZUMIVNXFN-NHCUHLMSSA-N 1 0 377.532 3.673 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000742377072 867271226 /nfs/dbraw/zinc/27/12/26/867271226.db2.gz HBCMBAWNJQLGRW-UHFFFAOYSA-N 1 0 380.448 3.625 20 30 GHEDRO C=C(C[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)c1ccccc1 ZINC000620757810 867275905 /nfs/dbraw/zinc/27/59/05/867275905.db2.gz KWEGOSDMLNQOLV-SFHVURJKSA-N 1 0 382.504 3.744 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793289230 882068688 /nfs/dbraw/zinc/06/86/88/882068688.db2.gz SGKAYKFACYCCMG-UHFFFAOYSA-N 1 0 394.910 3.502 20 30 GHEDRO CCCOc1cccc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479224811 867348619 /nfs/dbraw/zinc/34/86/19/867348619.db2.gz YUQQCQVXJNGWRO-UHFFFAOYSA-N 1 0 391.515 3.692 20 30 GHEDRO CCn1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc2ccccc21 ZINC000479254911 867435025 /nfs/dbraw/zinc/43/50/25/867435025.db2.gz WZIYZLPUXMHTGK-UHFFFAOYSA-N 1 0 386.499 3.949 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508512260 867442985 /nfs/dbraw/zinc/44/29/85/867442985.db2.gz YRYUZOOTQUXIDO-NRFANRHFSA-N 1 0 379.552 3.704 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000553510834 867565726 /nfs/dbraw/zinc/56/57/26/867565726.db2.gz KTZCYEVFTBNAQG-YVEFUNNKSA-N 1 0 386.421 3.977 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)ccc1F ZINC000523633043 867656705 /nfs/dbraw/zinc/65/67/05/867656705.db2.gz WBGFRCSUMIDZQI-OAHLLOKOSA-N 1 0 388.393 3.762 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(c3c(C#N)cnc4c(Br)cccc43)CC[C@H]21 ZINC000440650534 867718123 /nfs/dbraw/zinc/71/81/23/867718123.db2.gz IESJPNBPPUBLBT-SUMWQHHRSA-N 1 0 385.309 3.789 20 30 GHEDRO CCOc1cccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000742978777 867737095 /nfs/dbraw/zinc/73/70/95/867737095.db2.gz HWQYZHMWAHBTBW-UHFFFAOYSA-N 1 0 394.544 3.862 20 30 GHEDRO COc1ccc(CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC(C)(C)C)cc1 ZINC000523789638 867929429 /nfs/dbraw/zinc/92/94/29/867929429.db2.gz XGQRPJMVFBYIPL-UHFFFAOYSA-N 1 0 393.531 3.774 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000523768941 867934934 /nfs/dbraw/zinc/93/49/34/867934934.db2.gz BVRXEAVSIZUMGR-GHTZIAJQSA-N 1 0 391.531 3.660 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000743196645 867944505 /nfs/dbraw/zinc/94/45/05/867944505.db2.gz UFYBJIJPPPIEAF-GOSISDBHSA-N 1 0 385.439 3.779 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000743198759 867946815 /nfs/dbraw/zinc/94/68/15/867946815.db2.gz YUYLOJISAAPERS-APWZRJJASA-N 1 0 381.451 3.795 20 30 GHEDRO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CCCC3(C2)CCCCCC3)C1=O ZINC000743385736 868140160 /nfs/dbraw/zinc/14/01/60/868140160.db2.gz LHGROMYFFQDQRP-JOCHJYFZSA-N 1 0 394.519 3.719 20 30 GHEDRO COC(=O)[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000743481248 868209895 /nfs/dbraw/zinc/20/98/95/868209895.db2.gz JJTGMAOZJZHDOI-MISYRCLQSA-N 1 0 383.517 3.507 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000743462545 868212962 /nfs/dbraw/zinc/21/29/62/868212962.db2.gz JFWMMQMVNCKODD-QZTJIDSGSA-N 1 0 395.503 3.998 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000743493057 868237206 /nfs/dbraw/zinc/23/72/06/868237206.db2.gz GCRDWILFIRDPAL-UHFFFAOYSA-N 1 0 398.510 3.757 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(SCCC(=O)OC)c2)CC1 ZINC000535217840 868390228 /nfs/dbraw/zinc/39/02/28/868390228.db2.gz BLUKLJYCCUOIME-UHFFFAOYSA-N 1 0 391.537 3.504 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1OCCCC#N ZINC000156794358 868466285 /nfs/dbraw/zinc/46/62/85/868466285.db2.gz STKZFGKSSMILIA-KNQAVFIVSA-N 1 0 393.531 3.988 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508844896 868500593 /nfs/dbraw/zinc/50/05/93/868500593.db2.gz LIOQJUHTIYXWET-IBGZPJMESA-N 1 0 383.540 3.520 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669807255 868525369 /nfs/dbraw/zinc/52/53/69/868525369.db2.gz VHODRYRCLPRTTI-MSOLQXFVSA-N 1 0 399.539 3.533 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669807258 868525450 /nfs/dbraw/zinc/52/54/50/868525450.db2.gz VHODRYRCLPRTTI-ZWKOTPCHSA-N 1 0 399.539 3.533 20 30 GHEDRO CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000524109034 868541438 /nfs/dbraw/zinc/54/14/38/868541438.db2.gz IKORALNOKPEGGJ-QGZVFWFLSA-N 1 0 392.503 3.523 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(CC#N)cc1 ZINC000535341805 868587197 /nfs/dbraw/zinc/58/71/97/868587197.db2.gz VRNYSSQWNCCWGU-UHFFFAOYSA-N 1 0 389.421 3.975 20 30 GHEDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000666046192 882215272 /nfs/dbraw/zinc/21/52/72/882215272.db2.gz ZPCIJHIWFYUTNH-OAQYLSRUSA-N 1 0 388.515 3.725 20 30 GHEDRO CCC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H]1CCc2ccccc2C1 ZINC000744390391 868784839 /nfs/dbraw/zinc/78/48/39/868784839.db2.gz FECYYNYCDIGMMS-FQEVSTJZSA-N 1 0 386.499 3.690 20 30 GHEDRO COC(=O)C1(CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCC1 ZINC000898412438 868835477 /nfs/dbraw/zinc/83/54/77/868835477.db2.gz QCEODBOTPUEOGH-UHFFFAOYSA-N 1 0 380.492 3.562 20 30 GHEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669817591 868914214 /nfs/dbraw/zinc/91/42/14/868914214.db2.gz QFFLSEMZQCMTGD-AWEZNQCLSA-N 1 0 379.430 3.680 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000152746798 868939298 /nfs/dbraw/zinc/93/92/98/868939298.db2.gz JVSMUFPPDGIHEN-UHFFFAOYSA-N 1 0 397.429 3.780 20 30 GHEDRO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000262818872 882247626 /nfs/dbraw/zinc/24/76/26/882247626.db2.gz PKCMOWJCRITHCG-XJKSGUPXSA-N 1 0 375.831 3.923 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)C(C)C ZINC000133506377 882254283 /nfs/dbraw/zinc/25/42/83/882254283.db2.gz MBPRCAWHLUKGAQ-VSKRKVRLSA-N 1 0 385.552 3.905 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000524416427 869040950 /nfs/dbraw/zinc/04/09/50/869040950.db2.gz BZUBXHHBFWTAJR-SJORKVTESA-N 1 0 381.476 3.580 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000744857163 869125556 /nfs/dbraw/zinc/12/55/56/869125556.db2.gz HVCVHLDNLPZSAQ-PGRDOPGGSA-N 1 0 379.479 3.806 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000744857165 869125726 /nfs/dbraw/zinc/12/57/26/869125726.db2.gz HVCVHLDNLPZSAQ-XMSQKQJNSA-N 1 0 379.479 3.806 20 30 GHEDRO CC(C)C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[NH+](C)C ZINC000524547944 869238440 /nfs/dbraw/zinc/23/84/40/869238440.db2.gz IKGNBOVNYYLSGC-OAQYLSRUSA-N 1 0 379.504 3.843 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1C ZINC000524617880 869350622 /nfs/dbraw/zinc/35/06/22/869350622.db2.gz JIVYSRCCQKPGDJ-AEFFLSMTSA-N 1 0 381.476 3.675 20 30 GHEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000539704482 869629623 /nfs/dbraw/zinc/62/96/23/869629623.db2.gz PHYIMPOQXBTDFP-UHFFFAOYSA-N 1 0 399.372 3.966 20 30 GHEDRO N#CC1(NC(=O)CCc2ccnc3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000539794640 869794066 /nfs/dbraw/zinc/79/40/66/869794066.db2.gz DLIISPYOONMFHK-UHFFFAOYSA-N 1 0 398.510 3.842 20 30 GHEDRO C=CCN(C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)C(C)C ZINC000745851096 869858621 /nfs/dbraw/zinc/85/86/21/869858621.db2.gz XMOGEEIPFCNMPL-UHFFFAOYSA-N 1 0 398.473 3.563 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508861415 869891579 /nfs/dbraw/zinc/89/15/79/869891579.db2.gz AAQFZBBJSHEDCX-UHFFFAOYSA-N 1 0 378.524 3.561 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920761633 882365420 /nfs/dbraw/zinc/36/54/20/882365420.db2.gz NXWXSHWYVSSCNI-MJGOQNOKSA-N 1 0 392.341 3.510 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)(C)O ZINC000525110240 870037359 /nfs/dbraw/zinc/03/73/59/870037359.db2.gz YUUHNQGLPSTXPQ-UHFFFAOYSA-N 1 0 377.554 3.700 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446618909 870101684 /nfs/dbraw/zinc/10/16/84/870101684.db2.gz BSCFQYKTHMEEDJ-UHFFFAOYSA-N 1 0 398.320 3.770 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1 ZINC000746264686 870153194 /nfs/dbraw/zinc/15/31/94/870153194.db2.gz IHNROPILDILOPO-NRFANRHFSA-N 1 0 386.455 3.858 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NCc2ccncc2OCCC[NH+](C)C)CCCC1(C)C ZINC000461528666 870325832 /nfs/dbraw/zinc/32/58/32/870325832.db2.gz CCHPLGLNEDOODZ-FQEVSTJZSA-N 1 0 388.556 3.688 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N ZINC000248398045 870370614 /nfs/dbraw/zinc/37/06/14/870370614.db2.gz STKZFGKSSMILIA-SIKLNZKXSA-N 1 0 393.531 3.988 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)o1 ZINC001192682737 870597966 /nfs/dbraw/zinc/59/79/66/870597966.db2.gz KAUHJDNFDFMNLO-UHFFFAOYSA-N 1 0 386.455 3.726 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508866039 870627711 /nfs/dbraw/zinc/62/77/11/870627711.db2.gz QLLXVGIQHGQICQ-XMSQKQJNSA-N 1 0 376.504 3.947 20 30 GHEDRO CCOC(=O)CN(CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001192964743 870819870 /nfs/dbraw/zinc/81/98/70/870819870.db2.gz MTGCDJGVRZTDAP-KRWDZBQOSA-N 1 0 379.460 3.513 20 30 GHEDRO C=CC[N@H+](Cc1cncc(C(F)(F)F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000463073207 870834305 /nfs/dbraw/zinc/83/43/05/870834305.db2.gz HTTTUXHVYMQVAA-CQSZACIVSA-N 1 0 388.397 3.825 20 30 GHEDRO NC(=[NH+]OCc1cccc(Br)n1)c1ccc(N2CCCCC2)cc1 ZINC000793830590 882453016 /nfs/dbraw/zinc/45/30/16/882453016.db2.gz UNZFKTVWVUGVQS-UHFFFAOYSA-N 1 0 389.297 3.672 20 30 GHEDRO C=CCCC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000540297693 870936615 /nfs/dbraw/zinc/93/66/15/870936615.db2.gz FHOBFEDYPWZJPE-INIZCTEOSA-N 1 0 399.457 3.886 20 30 GHEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1 ZINC000540341793 871066390 /nfs/dbraw/zinc/06/63/90/871066390.db2.gz WBPFTZVAQYLLKY-HSZRJFAPSA-N 1 0 377.532 3.959 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000461887038 871156747 /nfs/dbraw/zinc/15/67/47/871156747.db2.gz CZSOFKQEYURVOI-UHFFFAOYSA-N 1 0 395.522 3.861 20 30 GHEDRO COc1cc(N2CC[NH+](Cc3c(C)cc(C#N)cc3C)CC2)cc(OC)c1OC ZINC001169072185 871160914 /nfs/dbraw/zinc/16/09/14/871160914.db2.gz HGLLKVMEUOWZKY-UHFFFAOYSA-N 1 0 395.503 3.523 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH+](CC)CC)C2)cc1OC ZINC000506440966 871197938 /nfs/dbraw/zinc/19/79/38/871197938.db2.gz YGTJQADQCAHJHJ-INIZCTEOSA-N 1 0 397.357 3.939 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(c2ccc(N(C)C)cc2)[C@@H](C)c2ccccn2)CC1 ZINC000766587603 871200396 /nfs/dbraw/zinc/20/03/96/871200396.db2.gz QLXNGNXAIKULGY-IBGZPJMESA-N 1 0 390.531 3.587 20 30 GHEDRO CN(C)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc2C1 ZINC000525697530 871223045 /nfs/dbraw/zinc/22/30/45/871223045.db2.gz WHMYQGMXADMHFS-UHFFFAOYSA-N 1 0 399.542 3.653 20 30 GHEDRO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCc2sccc2C1 ZINC000181598858 871242092 /nfs/dbraw/zinc/24/20/92/871242092.db2.gz BCZOKJHUHLHRCD-GOSISDBHSA-N 1 0 394.588 3.621 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000540456317 871343847 /nfs/dbraw/zinc/34/38/47/871343847.db2.gz JKVODCMTJFOHQJ-OAQYLSRUSA-N 1 0 388.533 3.613 20 30 GHEDRO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccccc1 ZINC000181700700 871401007 /nfs/dbraw/zinc/40/10/07/871401007.db2.gz PJYJNVKCPDUWOR-FQEVSTJZSA-N 1 0 385.895 3.872 20 30 GHEDRO C[C@](C#N)(Nc1ccccc1C(=O)NC1CC[NH2+]CC1)c1ccccc1Cl ZINC001169391444 871463377 /nfs/dbraw/zinc/46/33/77/871463377.db2.gz YDKSASGYAOQJHD-OAQYLSRUSA-N 1 0 382.895 3.673 20 30 GHEDRO CCC(=O)N1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000092187194 871498420 /nfs/dbraw/zinc/49/84/20/871498420.db2.gz OVVAAGROMRGTJX-UHFFFAOYSA-N 1 0 377.488 3.582 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000539266868 871589686 /nfs/dbraw/zinc/58/96/86/871589686.db2.gz FBPDZXWVPHUPLB-CABCVRRESA-N 1 0 397.500 3.956 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000539269671 871594114 /nfs/dbraw/zinc/59/41/14/871594114.db2.gz WGUQHKFLRPHHIC-KRWDZBQOSA-N 1 0 381.476 3.691 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C3CCC(C)CC3)CC2)cc1C ZINC000115566967 882528466 /nfs/dbraw/zinc/52/84/66/882528466.db2.gz IFGKIKGNTOCKRA-UHFFFAOYSA-N 1 0 396.579 3.746 20 30 GHEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262590679 871643292 /nfs/dbraw/zinc/64/32/92/871643292.db2.gz UTZWPPUSORGFBV-UHFFFAOYSA-N 1 0 395.338 3.519 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000539307410 871704004 /nfs/dbraw/zinc/70/40/04/871704004.db2.gz WCGTVLUDUQSSAX-AWEZNQCLSA-N 1 0 387.505 3.796 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447498907 871705508 /nfs/dbraw/zinc/70/55/08/871705508.db2.gz DQWTWFNYDZVVOW-MOPGFXCFSA-N 1 0 380.492 3.844 20 30 GHEDRO N#CC1(c2cccnc2N[C@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC001169663025 871729863 /nfs/dbraw/zinc/72/98/63/871729863.db2.gz CJYYODOHHZGBQR-FQEVSTJZSA-N 1 0 376.504 3.730 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c(C(F)(F)F)c1 ZINC001169756624 871842396 /nfs/dbraw/zinc/84/23/96/871842396.db2.gz JWXDYAIDCNMMTC-SFHVURJKSA-N 1 0 387.405 3.971 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447585104 871889389 /nfs/dbraw/zinc/88/93/89/871889389.db2.gz IDINKHCTFZACCK-NZQKXSOJSA-N 1 0 379.504 3.891 20 30 GHEDRO N#CCSCCC[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001194781889 871928991 /nfs/dbraw/zinc/92/89/91/871928991.db2.gz JZHQMCBVSSFJMR-NVXWUHKLSA-N 1 0 383.355 3.841 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001194790979 871935766 /nfs/dbraw/zinc/93/57/66/871935766.db2.gz BDKKYAKXTZGXBA-IBGZPJMESA-N 1 0 378.394 3.759 20 30 GHEDRO Cc1ccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(OCC[NH+](C)C)c1 ZINC000618757739 871954069 /nfs/dbraw/zinc/95/40/69/871954069.db2.gz BIVXNTFMEMTWGN-LJQANCHMSA-N 1 0 378.476 3.616 20 30 GHEDRO C[NH+]1CCC(N(C(=O)c2ccc(C#CBr)cc2)C2CCCC2)CC1 ZINC001194805959 871961067 /nfs/dbraw/zinc/96/10/67/871961067.db2.gz IHOOUQNNCPZVNX-UHFFFAOYSA-N 1 0 389.337 3.870 20 30 GHEDRO COc1cc(OC)cc(OCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000552062423 871962485 /nfs/dbraw/zinc/96/24/85/871962485.db2.gz XBJJTWGLVKKGQK-UHFFFAOYSA-N 1 0 395.503 3.603 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)c2)CC1 ZINC000618765613 871963587 /nfs/dbraw/zinc/96/35/87/871963587.db2.gz UAQDAMSPANDDNM-JOCHJYFZSA-N 1 0 389.503 3.509 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000618801471 871972142 /nfs/dbraw/zinc/97/21/42/871972142.db2.gz BBHGUHDUEJZJFJ-RWWKDMOOSA-N 1 0 385.467 3.743 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000618845874 872029756 /nfs/dbraw/zinc/02/97/56/872029756.db2.gz IASKMYDXMFZJIA-JOCHJYFZSA-N 1 0 380.536 3.843 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618841560 872052486 /nfs/dbraw/zinc/05/24/86/872052486.db2.gz YXGZKDNCZKNHLV-NRFANRHFSA-N 1 0 376.504 3.755 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@@H]1CCCO1 ZINC000182254634 872090518 /nfs/dbraw/zinc/09/05/18/872090518.db2.gz RIDYJJLJDLKXLY-SFTDATJTSA-N 1 0 394.519 3.511 20 30 GHEDRO C[NH+](C)CCCC1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000766991314 872117964 /nfs/dbraw/zinc/11/79/64/872117964.db2.gz BGXUYCHGYGBFOK-QGZVFWFLSA-N 1 0 384.549 3.526 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000526108390 872138818 /nfs/dbraw/zinc/13/88/18/872138818.db2.gz FWHLJRYHWIILIU-VNCLNFNDSA-N 1 0 379.460 3.765 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)c(C)n1C ZINC000022735582 872146584 /nfs/dbraw/zinc/14/65/84/872146584.db2.gz XSSSCOJIOZIFJC-UHFFFAOYSA-O 1 0 392.548 3.701 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022806145 872402396 /nfs/dbraw/zinc/40/23/96/872402396.db2.gz YHBCNGZGIUQCIQ-UHFFFAOYSA-O 1 0 383.537 3.800 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001195420334 872407961 /nfs/dbraw/zinc/40/79/61/872407961.db2.gz NQPAENURLQDHSA-MLDBQTBOSA-N 1 0 375.516 3.902 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000115695454 882619264 /nfs/dbraw/zinc/61/92/64/882619264.db2.gz ALJHERPZVGUAEB-LJQANCHMSA-N 1 0 398.482 3.568 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000463764384 872524738 /nfs/dbraw/zinc/52/47/38/872524738.db2.gz GNYRQINRHRUVJJ-MOPGFXCFSA-N 1 0 386.536 3.987 20 30 GHEDRO N#CC1(NC(=O)c2cc(-c3ccccc3)c[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001195657408 872562729 /nfs/dbraw/zinc/56/27/29/872562729.db2.gz NWINAYSXZAHGDN-UHFFFAOYSA-N 1 0 384.483 3.970 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(OCc4ccccc4)CC3)C2=O)cc1 ZINC000182590180 872584625 /nfs/dbraw/zinc/58/46/25/872584625.db2.gz DWCORNVSPXVQOV-HSZRJFAPSA-N 1 0 389.499 3.735 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000619426287 872639661 /nfs/dbraw/zinc/63/96/61/872639661.db2.gz NNVDIRMQMZKOLO-UHFFFAOYSA-N 1 0 376.220 3.545 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619478163 872672735 /nfs/dbraw/zinc/67/27/35/872672735.db2.gz LJGAIEIDVBNIGV-RXVVDRJESA-N 1 0 397.544 3.599 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000619508440 872694292 /nfs/dbraw/zinc/69/42/92/872694292.db2.gz WJSIRSRDSSUURA-ZEQRLZLVSA-N 1 0 375.516 3.552 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1Cl ZINC000619569465 872746943 /nfs/dbraw/zinc/74/69/43/872746943.db2.gz KWBSCMZYXKFDDD-BHIYHBOVSA-N 1 0 375.900 3.556 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)c2cccnc2)c1C#N ZINC000182881658 872886891 /nfs/dbraw/zinc/88/68/91/872886891.db2.gz ZZPUXUOBGRLWTM-HNNXBMFYSA-N 1 0 391.450 3.789 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000552683290 872992110 /nfs/dbraw/zinc/99/21/10/872992110.db2.gz PPUPWGNQEYGQNY-AVRDEDQJSA-N 1 0 389.499 3.836 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000152939823 872994213 /nfs/dbraw/zinc/99/42/13/872994213.db2.gz HFYWVTQCOCBVKH-OAHLLOKOSA-N 1 0 394.357 3.796 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)[C@H](C)C1 ZINC001196328394 873034967 /nfs/dbraw/zinc/03/49/67/873034967.db2.gz HDMHZMYEPZQCGU-ZHRRBRCNSA-N 1 0 377.488 3.779 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)NC3CCN(c4cc[nH+]cc4)CC3)c2)c1 ZINC001196330282 873036670 /nfs/dbraw/zinc/03/66/70/873036670.db2.gz NPHMZFAXUBRUKV-UHFFFAOYSA-N 1 0 398.466 3.725 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC001196728001 873323897 /nfs/dbraw/zinc/32/38/97/873323897.db2.gz QRPHBRIBCUSFEG-KQVJYAISSA-N 1 0 388.600 3.646 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000768498328 873338928 /nfs/dbraw/zinc/33/89/28/873338928.db2.gz HOXHOERTGZOQEI-UYAOXDASSA-N 1 0 397.592 3.949 20 30 GHEDRO C=CCN1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)nc2)CC1 ZINC001196796282 873365674 /nfs/dbraw/zinc/36/56/74/873365674.db2.gz YIKMNSHXEXNFIV-UHFFFAOYSA-N 1 0 391.393 3.591 20 30 GHEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000768515947 873377231 /nfs/dbraw/zinc/37/72/31/873377231.db2.gz RXQZWXMWJFVUQP-INIZCTEOSA-N 1 0 388.599 3.608 20 30 GHEDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CCC(=O)N(C)CCC#N)c1 ZINC000541330161 873379523 /nfs/dbraw/zinc/37/95/23/873379523.db2.gz KNASKYYKXAQEBG-LADGPHEKSA-N 1 0 391.515 3.988 20 30 GHEDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)nc1 ZINC000858012058 882717742 /nfs/dbraw/zinc/71/77/42/882717742.db2.gz WJFVOZWHPJUWIM-OAQYLSRUSA-N 1 0 387.487 3.821 20 30 GHEDRO COc1ccc(C[N@H+](Cc2cn3ccccc3c2C#N)[C@H](CO)C(C)C)cc1 ZINC000491316838 873506744 /nfs/dbraw/zinc/50/67/44/873506744.db2.gz MUSNGLITERIORW-HSZRJFAPSA-N 1 0 377.488 3.839 20 30 GHEDRO COc1cc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC001197032308 873555207 /nfs/dbraw/zinc/55/52/07/873555207.db2.gz PBSVCEPYDKSSCM-FCHUYYIVSA-N 1 0 391.515 3.672 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000768798775 873589820 /nfs/dbraw/zinc/58/98/20/873589820.db2.gz MBBRRWDQAFNBTE-SFHVURJKSA-N 1 0 397.906 3.988 20 30 GHEDRO N#Cc1ccc(-c2ccc(C(=O)N(c3ccncc3F)C3CC[NH2+]CC3)o2)cc1 ZINC001197394437 873764561 /nfs/dbraw/zinc/76/45/61/873764561.db2.gz QEDJYTFAQZVMJS-UHFFFAOYSA-N 1 0 390.418 3.751 20 30 GHEDRO C[N@@H+]1CCCN(Cc2cccc(C(=O)Nc3c(C#N)oc4ccccc43)c2)CC1 ZINC001197495436 873867256 /nfs/dbraw/zinc/86/72/56/873867256.db2.gz IBESJNDJYGKFTD-UHFFFAOYSA-N 1 0 388.471 3.694 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC001170004501 873940147 /nfs/dbraw/zinc/94/01/47/873940147.db2.gz STYXNLMHCGWESW-UHFFFAOYSA-N 1 0 380.463 3.817 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000769296807 873945936 /nfs/dbraw/zinc/94/59/36/873945936.db2.gz BKJPEXYQXPTWON-JOCHJYFZSA-N 1 0 378.472 3.865 20 30 GHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H](CO)C(C)C)sc2C1 ZINC000464504084 873992152 /nfs/dbraw/zinc/99/21/52/873992152.db2.gz ZNYKQRSXAOHNBR-WMLDXEAASA-N 1 0 391.581 3.706 20 30 GHEDRO N#Cc1cccc(NC(=S)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001197723656 874008989 /nfs/dbraw/zinc/00/89/89/874008989.db2.gz NMSZMCZMFHMHRD-SESVDKBCSA-N 1 0 376.529 3.755 20 30 GHEDRO COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001197776602 874040305 /nfs/dbraw/zinc/04/03/05/874040305.db2.gz BWWYNTBMJYHWIQ-RTBURBONSA-N 1 0 389.421 3.719 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(OC)cc3)cn2)CC1 ZINC000448923964 874212342 /nfs/dbraw/zinc/21/23/42/874212342.db2.gz WRTOWYUKWYSUGG-UHFFFAOYSA-N 1 0 381.476 3.653 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000464654785 874262969 /nfs/dbraw/zinc/26/29/69/874262969.db2.gz KKELNHNVAWZIII-SFHVURJKSA-N 1 0 381.476 3.534 20 30 GHEDRO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000541772640 874268381 /nfs/dbraw/zinc/26/83/81/874268381.db2.gz DFVMJMMXYSXXSI-MRXNPFEDSA-N 1 0 378.436 3.628 20 30 GHEDRO CCOc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1CC ZINC001198202729 874271929 /nfs/dbraw/zinc/27/19/29/874271929.db2.gz BFSGHEDMPVKRCI-UHFFFAOYSA-N 1 0 391.515 3.936 20 30 GHEDRO CC1(C)CC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC(C)(C)N1O ZINC001170011244 874325458 /nfs/dbraw/zinc/32/54/58/874325458.db2.gz LLBZGIBGHDTJSR-UHFFFAOYSA-N 1 0 399.539 3.555 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775834525 874340662 /nfs/dbraw/zinc/34/06/62/874340662.db2.gz UQSCCAYTUUNYIW-IBGZPJMESA-N 1 0 378.520 3.967 20 30 GHEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)C1 ZINC000449089229 874486893 /nfs/dbraw/zinc/48/68/93/874486893.db2.gz JJFUAELOAQKHQN-OCDPCBSRSA-N 1 0 389.565 3.669 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001198551128 874497855 /nfs/dbraw/zinc/49/78/55/874497855.db2.gz BULOLURXMOVNAS-GUDVDZBRSA-N 1 0 387.499 3.599 20 30 GHEDRO C=CCSCCNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000541903078 874522825 /nfs/dbraw/zinc/52/28/25/874522825.db2.gz HTVPTBNSIYUJNL-UHFFFAOYSA-N 1 0 390.553 3.542 20 30 GHEDRO C[C@H]1CC[C@](CO)([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc21 ZINC001198694086 874558700 /nfs/dbraw/zinc/55/87/00/874558700.db2.gz AMGIICHCCXYDPO-OYHNWAKOSA-N 1 0 397.906 3.915 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000528450456 874599001 /nfs/dbraw/zinc/59/90/01/874599001.db2.gz SQZXAEHOYBGSAH-QGZVFWFLSA-N 1 0 385.335 3.820 20 30 GHEDRO COCCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000528576079 874730263 /nfs/dbraw/zinc/73/02/63/874730263.db2.gz GIRQLRVJYOGOSJ-OAHLLOKOSA-N 1 0 389.565 3.822 20 30 GHEDRO C#Cc1cccc(NC(=S)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000770579041 874766742 /nfs/dbraw/zinc/76/67/42/874766742.db2.gz PJOFTDMRKHBZDM-UHFFFAOYSA-N 1 0 378.545 3.998 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000745835218 874823763 /nfs/dbraw/zinc/82/37/63/874823763.db2.gz YCARIGUIKMPUDF-CRAIPNDOSA-N 1 0 382.533 3.911 20 30 GHEDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000528661590 874849427 /nfs/dbraw/zinc/84/94/27/874849427.db2.gz VPQCYFLIIUVQJN-DJJJIMSYSA-N 1 0 380.517 3.961 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000770804774 874877073 /nfs/dbraw/zinc/87/70/73/874877073.db2.gz FDWYKMRKUORQFL-KRWDZBQOSA-N 1 0 382.508 3.590 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3cc(Cl)c(OCC)c(OC)c3)no2)CC1 ZINC000770842359 874909670 /nfs/dbraw/zinc/90/96/70/874909670.db2.gz ORMRSFATVCBCEL-UHFFFAOYSA-N 1 0 375.856 3.610 20 30 GHEDRO Cc1cc(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)ccc1C#N ZINC000528718309 874952853 /nfs/dbraw/zinc/95/28/53/874952853.db2.gz MACBXOXPAWWGAU-UHFFFAOYSA-N 1 0 380.492 3.598 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCCc3nc(-c4cccs4)no3)CCOCC2)cc1 ZINC000528781188 875053659 /nfs/dbraw/zinc/05/36/59/875053659.db2.gz GZPJYOPGZYNLJD-UHFFFAOYSA-N 1 0 394.500 3.898 20 30 GHEDRO CC(C)CNC(=O)c1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000528783685 875054790 /nfs/dbraw/zinc/05/47/90/875054790.db2.gz QHUJTQDUDRHWAG-UHFFFAOYSA-N 1 0 391.515 3.740 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746417341 875084509 /nfs/dbraw/zinc/08/45/09/875084509.db2.gz GHWQANQMADWJKW-JOCHJYFZSA-N 1 0 391.515 3.505 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000271771057 875154020 /nfs/dbraw/zinc/15/40/20/875154020.db2.gz FEUWIYJTKKBOHR-ZCDIYMNCSA-N 1 0 389.908 3.627 20 30 GHEDRO C[N@H+]1CC=C(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000271766162 875154817 /nfs/dbraw/zinc/15/48/17/875154817.db2.gz AVNIVQAAEGYNKE-UHFFFAOYSA-N 1 0 377.513 3.842 20 30 GHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000429496681 875199734 /nfs/dbraw/zinc/19/97/34/875199734.db2.gz NDFLOVIEDGILGJ-SFTDATJTSA-N 1 0 394.519 3.511 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@H]1c1ccccc1 ZINC000449752972 875348791 /nfs/dbraw/zinc/34/87/91/875348791.db2.gz HNSZTWIFNKCFSI-YADHBBJMSA-N 1 0 378.472 3.758 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 ZINC000550964732 882927579 /nfs/dbraw/zinc/92/75/79/882927579.db2.gz FNDNCEUXMFZHHE-UHFFFAOYSA-N 1 0 390.409 3.742 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](NC(=S)Nc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC001201137402 875521090 /nfs/dbraw/zinc/52/10/90/875521090.db2.gz NPMHXBNBPFBLKF-SWLSCSKDSA-N 1 0 395.370 3.726 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC001201122165 875536370 /nfs/dbraw/zinc/53/63/70/875536370.db2.gz RJKRLHSSECEXMP-CQSZACIVSA-N 1 0 393.354 3.578 20 30 GHEDRO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449889395 875581767 /nfs/dbraw/zinc/58/17/67/875581767.db2.gz SKAKDFDAYNMHMD-LRCYWBKYSA-N 1 0 379.426 3.754 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1C#N ZINC000529209579 875831999 /nfs/dbraw/zinc/83/19/99/875831999.db2.gz ABWGHPANKXRORY-INIZCTEOSA-N 1 0 398.532 3.800 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1C#N ZINC000529215229 875844197 /nfs/dbraw/zinc/84/41/97/875844197.db2.gz VKWBXUYSGRLYLC-UHFFFAOYSA-N 1 0 384.524 3.825 20 30 GHEDRO CCCCCCCCC[N@@H+]1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001201846288 875900741 /nfs/dbraw/zinc/90/07/41/875900741.db2.gz GFYWFSRYZPJDQV-HSZRJFAPSA-N 1 0 389.584 3.735 20 30 GHEDRO CN(C)c1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000192635335 882975218 /nfs/dbraw/zinc/97/52/18/882975218.db2.gz HOLOIOIZIZJXKR-UHFFFAOYSA-N 1 0 399.926 3.873 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001201875173 875919952 /nfs/dbraw/zinc/91/99/52/875919952.db2.gz RQSMJYZZWXKWJD-HSZRJFAPSA-N 1 0 393.616 3.966 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)[C@H](C)CCO)cc1C ZINC000772387445 875938383 /nfs/dbraw/zinc/93/83/83/875938383.db2.gz JCZNRYIMPQVZPO-OAQYLSRUSA-N 1 0 393.531 3.823 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nn1 ZINC001202288511 876108885 /nfs/dbraw/zinc/10/88/85/876108885.db2.gz DAMYXQUJUDVJBQ-OAHLLOKOSA-N 1 0 380.323 3.920 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1cc(C#N)ccc1OC(F)F)CCC(F)(F)F ZINC000494723659 882996037 /nfs/dbraw/zinc/99/60/37/882996037.db2.gz WUSIXAOQJNAEQG-UHFFFAOYSA-N 1 0 394.344 3.555 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccccc2CC)cc1 ZINC000151919101 876120962 /nfs/dbraw/zinc/12/09/62/876120962.db2.gz GQVUNAFDWFFEFK-UHFFFAOYSA-O 1 0 393.536 3.883 20 30 GHEDRO CC(C)[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CCOCC1 ZINC000077322659 883020286 /nfs/dbraw/zinc/02/02/86/883020286.db2.gz XIHQPUXZXJSJGB-INIZCTEOSA-N 1 0 375.538 3.909 20 30 GHEDRO C[C@@H](Cc1ccccc1)NC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000786062239 876407672 /nfs/dbraw/zinc/40/76/72/876407672.db2.gz RMBOESMQLXGAQL-IBGZPJMESA-N 1 0 392.572 3.572 20 30 GHEDRO COCC1(C#N)CCN(c2ccnc3cc(F)c(Br)cc32)CC1 ZINC000450516763 876551040 /nfs/dbraw/zinc/55/10/40/876551040.db2.gz LKUXYWDJJIOZAS-UHFFFAOYSA-N 1 0 378.245 3.893 20 30 GHEDRO C[NH+](C)CCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CCCC1 ZINC000152062739 876685541 /nfs/dbraw/zinc/68/55/41/876685541.db2.gz MIQFGUGHKUCYRJ-UHFFFAOYSA-N 1 0 398.429 3.837 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC000122576998 876735752 /nfs/dbraw/zinc/73/57/52/876735752.db2.gz DQGOHLHMQJOTMW-JPYJTQIMSA-N 1 0 391.515 3.940 20 30 GHEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)c1 ZINC000850445792 876928148 /nfs/dbraw/zinc/92/81/48/876928148.db2.gz WRSWLFDSEQIHEP-GOSISDBHSA-N 1 0 391.368 3.823 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)cc1F ZINC000850472661 876950903 /nfs/dbraw/zinc/95/09/03/876950903.db2.gz LNCHGRXEKRZFRR-GOSISDBHSA-N 1 0 391.368 3.823 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(N2CCNC2=O)cc1 ZINC000786800293 876961229 /nfs/dbraw/zinc/96/12/29/876961229.db2.gz JOSJZCYDRKOLAZ-INIZCTEOSA-N 1 0 380.517 3.672 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1 ZINC000450866756 876994189 /nfs/dbraw/zinc/99/41/89/876994189.db2.gz UBVITUZSNIWQIL-RLLQIKCJSA-N 1 0 387.911 3.524 20 30 GHEDRO N#Cc1ccc(Br)c(COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000786877002 876998730 /nfs/dbraw/zinc/99/87/30/876998730.db2.gz BMBQQGYFGGTDFX-KRWDZBQOSA-N 1 0 377.282 3.771 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000262687452 877016125 /nfs/dbraw/zinc/01/61/25/877016125.db2.gz AYWALILMKGWUOG-MEBBXXQBSA-N 1 0 379.810 3.559 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000262687453 877016432 /nfs/dbraw/zinc/01/64/32/877016432.db2.gz AYWALILMKGWUOG-ZUZCIYMTSA-N 1 0 379.810 3.559 20 30 GHEDRO Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(OCC[NH+](C)C)c1 ZINC000609979361 877242593 /nfs/dbraw/zinc/24/25/93/877242593.db2.gz FHYKDDCDCJBULH-UHFFFAOYSA-N 1 0 376.460 3.666 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000530231666 877334034 /nfs/dbraw/zinc/33/40/34/877334034.db2.gz SMHUFZHMAGKZMM-QFBILLFUSA-N 1 0 388.414 3.567 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000174967325 877374181 /nfs/dbraw/zinc/37/41/81/877374181.db2.gz LREOXWXGWNKPMW-HXUWFJFHSA-N 1 0 394.515 3.854 20 30 GHEDRO COc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000851108815 877415810 /nfs/dbraw/zinc/41/58/10/877415810.db2.gz HPXIWFMXKSZNBV-UHFFFAOYSA-N 1 0 389.455 3.530 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551553152 877420687 /nfs/dbraw/zinc/42/06/87/877420687.db2.gz VJSHIQRRAHYCCV-TZIWHRDSSA-N 1 0 397.885 3.924 20 30 GHEDRO COc1ccc(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1OCCCC#N ZINC000551600547 877517973 /nfs/dbraw/zinc/51/79/73/877517973.db2.gz PPLSVCNVMXYTSM-JOCHJYFZSA-N 1 0 393.531 3.736 20 30 GHEDRO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451188207 877548478 /nfs/dbraw/zinc/54/84/78/877548478.db2.gz HLBUFUXMIVALQF-HOTGVXAUSA-N 1 0 393.272 3.599 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc(-c3ccccc3OCC)c2)CC1 ZINC000772705026 877550524 /nfs/dbraw/zinc/55/05/24/877550524.db2.gz VOAIMBGXWIZLRU-UHFFFAOYSA-N 1 0 376.500 3.970 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000237599344 877665645 /nfs/dbraw/zinc/66/56/45/877665645.db2.gz FPYAQHXFOKTALD-QGZVFWFLSA-N 1 0 386.455 3.915 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)nc1 ZINC000492914303 877766300 /nfs/dbraw/zinc/76/63/00/877766300.db2.gz YAXFNXZBSZWLDV-OAQYLSRUSA-N 1 0 394.519 3.645 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)C1 ZINC000245439498 877881534 /nfs/dbraw/zinc/88/15/34/877881534.db2.gz SXQROAUPVNLKNY-LMMKCTJWSA-N 1 0 388.581 3.539 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nc1 ZINC000492970551 877909845 /nfs/dbraw/zinc/90/98/45/877909845.db2.gz CBDNDKPDWDNVSX-KDURUIRLSA-N 1 0 392.547 3.509 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc(CC#N)c2)[NH+](C)C)cc1 ZINC000455904235 877983233 /nfs/dbraw/zinc/98/32/33/877983233.db2.gz KECVIYIKMFZBQT-NRFANRHFSA-N 1 0 380.492 3.964 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451477492 877990947 /nfs/dbraw/zinc/99/09/47/877990947.db2.gz IGYDMTXHVHXQDV-ITKAJJHTSA-N 1 0 387.549 3.813 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1C#N ZINC000451495866 878043410 /nfs/dbraw/zinc/04/34/10/878043410.db2.gz SZCXJCLPMFHJSS-WMQCIHAUSA-N 1 0 396.535 3.577 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(O)c(OC)c1 ZINC000008190845 878058737 /nfs/dbraw/zinc/05/87/37/878058737.db2.gz UVFZRQKDSIYTQY-UHFFFAOYSA-N 1 0 380.488 3.980 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451542788 878108528 /nfs/dbraw/zinc/10/85/28/878108528.db2.gz AFLHNJFAGVVNPL-GOSISDBHSA-N 1 0 378.432 3.675 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)o2)c1 ZINC000451544802 878113102 /nfs/dbraw/zinc/11/31/02/878113102.db2.gz FTYOYVWOLMOZSP-SFHVURJKSA-N 1 0 389.415 3.896 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000176317699 878209533 /nfs/dbraw/zinc/20/95/33/878209533.db2.gz DHNHAFGREADEPS-MAUKXSAKSA-N 1 0 390.325 3.785 20 30 GHEDRO C[C@]12CC[N@H+](CCc3ccc(C#N)cc3)C[C@H]1C2(Br)Br ZINC000852337653 878262796 /nfs/dbraw/zinc/26/27/96/878262796.db2.gz XQHWNFZNLYGVOE-CABCVRRESA-N 1 0 398.142 3.929 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000451733986 878431685 /nfs/dbraw/zinc/43/16/85/878431685.db2.gz WCVXXYJVNJRAFT-IBGZPJMESA-N 1 0 399.583 3.836 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000852595991 878449447 /nfs/dbraw/zinc/44/94/47/878449447.db2.gz KDPGDPGLYFDQSG-TUNNFDKTSA-N 1 0 383.536 3.911 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000852595987 878449585 /nfs/dbraw/zinc/44/95/85/878449585.db2.gz KDPGDPGLYFDQSG-JAXLGGSGSA-N 1 0 383.536 3.911 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1 ZINC000852600187 878454836 /nfs/dbraw/zinc/45/48/36/878454836.db2.gz DOBLSENYVIHKJG-INIZCTEOSA-N 1 0 397.416 3.710 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000852669677 878503963 /nfs/dbraw/zinc/50/39/63/878503963.db2.gz RHIGYRROHQUYPQ-IFMALSPDSA-N 1 0 379.548 3.734 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460783003 878555186 /nfs/dbraw/zinc/55/51/86/878555186.db2.gz CPPUWTAFCXEPOA-MJGOQNOKSA-N 1 0 383.540 3.696 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460806551 878599097 /nfs/dbraw/zinc/59/90/97/878599097.db2.gz WIVHEWNOHSUPEZ-UHFFFAOYSA-N 1 0 388.519 3.629 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2ccc3c(cc[nH]c3=O)c2)c1C ZINC000789085736 878601273 /nfs/dbraw/zinc/60/12/73/878601273.db2.gz MJVGIDUTVWUBRJ-OAQYLSRUSA-N 1 0 391.519 3.877 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000852823295 878622665 /nfs/dbraw/zinc/62/26/65/878622665.db2.gz FDCOOCYOKBLYST-NRFANRHFSA-N 1 0 397.316 3.658 20 30 GHEDRO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852825267 878624349 /nfs/dbraw/zinc/62/43/49/878624349.db2.gz JICIREBJTFRDPY-FQEVSTJZSA-N 1 0 390.527 3.658 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000451894645 878653506 /nfs/dbraw/zinc/65/35/06/878653506.db2.gz VREKIJDWIKOZEE-UHFFFAOYSA-N 1 0 376.570 3.781 20 30 GHEDRO COC[C@H](C#N)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000789277546 878798119 /nfs/dbraw/zinc/79/81/19/878798119.db2.gz KLRLURISESUATR-PCCBWWKXSA-N 1 0 398.890 3.637 20 30 GHEDRO N#Cc1ccsc1N1CC[C@@H](Nc2ccc(CC[NH+]3CCCCC3)cc2)C1=O ZINC000530961771 878807911 /nfs/dbraw/zinc/80/79/11/878807911.db2.gz WXEBSRROVZDONU-HXUWFJFHSA-N 1 0 394.544 3.866 20 30 GHEDRO N#Cc1ccsc1N1CC[C@@H](NCc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000530961782 878808255 /nfs/dbraw/zinc/80/82/55/878808255.db2.gz ZFNRVVGGGGFGNL-HXUWFJFHSA-N 1 0 394.544 3.501 20 30 GHEDRO CC(C)COC(=O)N1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000152490827 878835498 /nfs/dbraw/zinc/83/54/98/878835498.db2.gz KZTIHLZDSYMQRN-UHFFFAOYSA-N 1 0 382.426 3.904 20 30 GHEDRO C=C(C)Cn1c(Cc2cccc3ccccc32)nnc1N1CC[NH+](CC)CC1 ZINC000460961378 878916911 /nfs/dbraw/zinc/91/69/11/878916911.db2.gz VJDQOWLZQVBJDO-UHFFFAOYSA-N 1 0 375.520 3.740 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CSCCS1 ZINC000925240909 878929844 /nfs/dbraw/zinc/92/98/44/878929844.db2.gz DWFYLVURAXYMAX-CVEARBPZSA-N 1 0 399.626 3.744 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)CSCC#N)cc1)C[C@H]1CCCCO1 ZINC000538222314 879046133 /nfs/dbraw/zinc/04/61/33/879046133.db2.gz TUPMUNROVOVALS-LJQANCHMSA-N 1 0 375.538 3.661 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000111388936 879082665 /nfs/dbraw/zinc/08/26/65/879082665.db2.gz VLBFEOOWEWDABZ-IBGZPJMESA-N 1 0 383.879 3.918 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2OCC)CC1 ZINC000178406560 879110503 /nfs/dbraw/zinc/11/05/03/879110503.db2.gz LECZZDKAGODVCW-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1=S ZINC000853560615 879115713 /nfs/dbraw/zinc/11/57/13/879115713.db2.gz POALEKJUEBTJEQ-HXUWFJFHSA-N 1 0 397.592 3.684 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000068884499 879138666 /nfs/dbraw/zinc/13/86/66/879138666.db2.gz GSHBXYVJHQKCKY-SFHVURJKSA-N 1 0 388.512 3.805 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)C[C@@H]2CC2(C)C)c1=S ZINC000853627247 879184221 /nfs/dbraw/zinc/18/42/21/879184221.db2.gz RYIQXCUJJCRCHE-KRWDZBQOSA-N 1 0 377.602 3.564 20 30 GHEDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000538292153 879189709 /nfs/dbraw/zinc/18/97/09/879189709.db2.gz DHVDHRGWTMTJGK-QHGAOEGBSA-N 1 0 398.528 3.700 20 30 GHEDRO N#Cc1csc(C[NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1 ZINC000531117444 879204636 /nfs/dbraw/zinc/20/46/36/879204636.db2.gz OLIFDIJWGVTNHX-OAQYLSRUSA-N 1 0 375.497 3.637 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531153864 879213800 /nfs/dbraw/zinc/21/38/00/879213800.db2.gz QNHLHYZXZJIZDZ-CRAIPNDOSA-N 1 0 395.425 3.921 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000538373239 879371112 /nfs/dbraw/zinc/37/11/12/879371112.db2.gz XGMUWOQUNJPQOZ-DLBZAZTESA-N 1 0 376.520 3.683 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Oc2ccccc2)cc1 ZINC000180879788 879440484 /nfs/dbraw/zinc/44/04/84/879440484.db2.gz XKRGDRYWHIHHFH-XGNMISCSSA-N 1 0 377.444 3.656 20 30 GHEDRO COc1ccccc1-c1ccnc(C2CC[NH+](CCCSCC#N)CC2)n1 ZINC000854095910 879524246 /nfs/dbraw/zinc/52/42/46/879524246.db2.gz IKNZMXWOFWUMMI-UHFFFAOYSA-N 1 0 382.533 3.978 20 30 GHEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000493761857 879620104 /nfs/dbraw/zinc/62/01/04/879620104.db2.gz GECBSRHHZFTBCG-GOSISDBHSA-N 1 0 392.503 3.890 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538509484 879631071 /nfs/dbraw/zinc/63/10/71/879631071.db2.gz WLDPAGBCKXWHIY-HNNXBMFYSA-N 1 0 382.435 3.825 20 30 GHEDRO CC[C@H]1CN(c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000461364591 879672785 /nfs/dbraw/zinc/67/27/85/879672785.db2.gz WBPSRBXZLARXMK-SFHVURJKSA-N 1 0 382.895 3.751 20 30 GHEDRO C=CCOCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670022239 879674887 /nfs/dbraw/zinc/67/48/87/879674887.db2.gz MDAZPUZPDSIMNY-QZNYNHHHSA-N 1 0 391.943 3.756 20 30 GHEDRO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000531360558 879698715 /nfs/dbraw/zinc/69/87/15/879698715.db2.gz IGHMYXUMHNSOLZ-IBGZPJMESA-N 1 0 377.492 3.626 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031619913 879774968 /nfs/dbraw/zinc/77/49/68/879774968.db2.gz GSUOTMRGPCEHSQ-UHFFFAOYSA-N 1 0 393.535 3.971 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461442270 879823459 /nfs/dbraw/zinc/82/34/59/879823459.db2.gz FKOKJVKBWXHUGA-OALUTQOASA-N 1 0 379.891 3.806 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCN1C(=O)OC(C)(C)C ZINC000790645106 879910210 /nfs/dbraw/zinc/91/02/10/879910210.db2.gz UMZZDDFGRGLUGJ-NRFANRHFSA-N 1 0 397.479 3.552 20 30 GHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790760793 879959130 /nfs/dbraw/zinc/95/91/30/879959130.db2.gz KHYJEJUZBHFQOJ-UHFFFAOYSA-N 1 0 380.435 3.709 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494220806 880015059 /nfs/dbraw/zinc/01/50/59/880015059.db2.gz SJSQXBHOSLAVQM-HKUYNNGSSA-N 1 0 375.806 3.551 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)n2)cc1 ZINC000795700954 912548155 /nfs/dbraw/zinc/54/81/55/912548155.db2.gz UAOYVJMSYNBRMD-AKFKNWHVSA-N 1 0 384.483 3.884 20 30 GHEDRO CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000429518544 880336092 /nfs/dbraw/zinc/33/60/92/880336092.db2.gz QCPGQKIRKQNCHQ-UHFFFAOYSA-N 1 0 387.443 3.551 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000855308007 880427936 /nfs/dbraw/zinc/42/79/36/880427936.db2.gz UEWJEVBSIYRJLJ-GMAHTHKFSA-N 1 0 376.504 3.548 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc(OC)c1O ZINC000113339655 880518574 /nfs/dbraw/zinc/51/85/74/880518574.db2.gz KMCHJMKNJGDLBE-KRWDZBQOSA-N 1 0 381.394 3.971 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000113332717 880518774 /nfs/dbraw/zinc/51/87/74/880518774.db2.gz XXPLVVMAMWDJCU-IBGZPJMESA-N 1 0 391.515 3.806 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OC ZINC000113347745 880520405 /nfs/dbraw/zinc/52/04/05/880520405.db2.gz GKKHYHKAFJJHLY-NRFANRHFSA-N 1 0 395.503 3.503 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCO)c1C#N ZINC000286124309 912578559 /nfs/dbraw/zinc/57/85/59/912578559.db2.gz MJZVPNHIYFCXCU-PXNSSMCTSA-N 1 0 386.540 3.561 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@H+]2Cc2c(Br)ccc3ccccc32)C1=O ZINC001275199593 912594675 /nfs/dbraw/zinc/59/46/75/912594675.db2.gz NOPREUODBPLXRQ-OAQYLSRUSA-N 1 0 397.316 3.802 20 30 GHEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000185830060 880704353 /nfs/dbraw/zinc/70/43/53/880704353.db2.gz RAWYMBGTXYKSKA-ZFWWWQNUSA-N 1 0 399.354 3.673 20 30 GHEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000531970317 880846237 /nfs/dbraw/zinc/84/62/37/880846237.db2.gz HKZSXBNCERIIAW-YLJYHZDGSA-N 1 0 394.494 3.982 20 30 GHEDRO C=CCn1c(N(C)C2CC[NH+](Cc3ccccc3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453443085 880907187 /nfs/dbraw/zinc/90/71/87/880907187.db2.gz QGCNYEFVHYDLRS-QHCPKHFHSA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000453453331 880944209 /nfs/dbraw/zinc/94/42/09/880944209.db2.gz UZRREHOMKWGKBP-IBGZPJMESA-N 1 0 395.551 3.662 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453464402 880967464 /nfs/dbraw/zinc/96/74/64/880967464.db2.gz LFTLBXYEFZPPNY-DYXWJJEUSA-N 1 0 395.551 3.805 20 30 GHEDRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(OC)c(C#N)c2)cn1 ZINC000792185318 880972659 /nfs/dbraw/zinc/97/26/59/880972659.db2.gz DFMJWSPWQVRESI-QFIPXVFZSA-N 1 0 390.487 3.519 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000453468612 880977625 /nfs/dbraw/zinc/97/76/25/880977625.db2.gz UWZRIQLDEDUDDP-SXLOBPIMSA-N 1 0 385.556 3.549 20 30 GHEDRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000792230000 880991715 /nfs/dbraw/zinc/99/17/15/880991715.db2.gz AFXRIZCUTJMSLW-FGZHOGPDSA-N 1 0 376.504 3.853 20 30 GHEDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000453598996 881070817 /nfs/dbraw/zinc/07/08/17/881070817.db2.gz PLFDWFBDZIHNOE-HNNXBMFYSA-N 1 0 378.451 3.827 20 30 GHEDRO CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cc(C#N)ccc2OC)cn1 ZINC000792379915 881088452 /nfs/dbraw/zinc/08/84/52/881088452.db2.gz UPMIUXOHBFRAFJ-JOCHJYFZSA-N 1 0 390.487 3.519 20 30 GHEDRO C[NH+]=C(NCCc1cn2c(n1)CCCC2)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087205 881096544 /nfs/dbraw/zinc/09/65/44/881096544.db2.gz NHIYRRVSYWSPBN-UHFFFAOYSA-N 1 0 394.350 3.776 20 30 GHEDRO CC(C)[C@@H](C#N)c1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc1 ZINC001170167197 881131270 /nfs/dbraw/zinc/13/12/70/881131270.db2.gz UYTNFRINFZEXJE-OAQYLSRUSA-N 1 0 377.492 3.818 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000120098100 881261000 /nfs/dbraw/zinc/26/10/00/881261000.db2.gz LJVDDHGJQAFSLQ-CQSZACIVSA-N 1 0 398.429 3.599 20 30 GHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CC[N@@H+](C)C1 ZINC000187662240 881264508 /nfs/dbraw/zinc/26/45/08/881264508.db2.gz NFEGZYJLERESSK-CQSZACIVSA-N 1 0 378.929 3.740 20 30 GHEDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cccc(OCc3ccccc3C#N)c1)C2 ZINC000609432629 883162875 /nfs/dbraw/zinc/16/28/75/883162875.db2.gz BOVOXGVGPMBENB-JOCHJYFZSA-N 1 0 384.483 3.883 20 30 GHEDRO C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000609499043 883266002 /nfs/dbraw/zinc/26/60/02/883266002.db2.gz MQULXXULMXUDPG-IBGZPJMESA-N 1 0 391.515 3.670 20 30 GHEDRO CC[C@@H]1CC(NC(=[NH2+])c2ccc(F)cn2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170463664 883287155 /nfs/dbraw/zinc/28/71/55/883287155.db2.gz HITYKLULITUBFB-MQVJKMGUSA-N 1 0 378.492 3.883 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000184168245 883327501 /nfs/dbraw/zinc/32/75/01/883327501.db2.gz WDQRKRXCNZUMMO-OAHLLOKOSA-N 1 0 380.423 3.889 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476908973 883360702 /nfs/dbraw/zinc/36/07/02/883360702.db2.gz XBQPYKBTOVIQBB-UHFFFAOYSA-N 1 0 397.519 3.656 20 30 GHEDRO N#CCCN(Cc1cccnc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858828382 883385407 /nfs/dbraw/zinc/38/54/07/883385407.db2.gz YKADXAUXOUDZSD-QFIPXVFZSA-N 1 0 388.515 3.626 20 30 GHEDRO CCOc1cccc(/C=C\C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000858859172 883408688 /nfs/dbraw/zinc/40/86/88/883408688.db2.gz CQQOJBHTKYDQSL-QXMHVHEDSA-N 1 0 377.488 3.561 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000804905854 883468586 /nfs/dbraw/zinc/46/85/86/883468586.db2.gz AIAQLVIJFZQJST-HSZRJFAPSA-N 1 0 375.516 3.716 20 30 GHEDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000609637035 883493365 /nfs/dbraw/zinc/49/33/65/883493365.db2.gz JKPZCEJCAYYGFA-FGZHOGPDSA-N 1 0 391.515 3.874 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000193790097 883503830 /nfs/dbraw/zinc/50/38/30/883503830.db2.gz BOMKKMWAVAGCKB-UHFFFAOYSA-N 1 0 379.504 3.682 20 30 GHEDRO N#CCCN(Cc1ccccn1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000859194013 883649218 /nfs/dbraw/zinc/64/92/18/883649218.db2.gz IJKYGKCFDCKENK-QFIPXVFZSA-N 1 0 388.515 3.626 20 30 GHEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC000192691724 883662292 /nfs/dbraw/zinc/66/22/92/883662292.db2.gz ODARSJRPJUPFEJ-NQIIRXRSSA-N 1 0 393.510 3.719 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000805329491 883759982 /nfs/dbraw/zinc/75/99/82/883759982.db2.gz LWNMMTLYPFKLBE-XMSQKQJNSA-N 1 0 376.504 3.665 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCCc2cccc(C#N)c2)CC1)CC(C)C ZINC000466811433 912753593 /nfs/dbraw/zinc/75/35/93/912753593.db2.gz GXTDPAWIZATSHG-UHFFFAOYSA-N 1 0 384.568 3.890 20 30 GHEDRO N#CCOc1cccc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000760224047 883919950 /nfs/dbraw/zinc/91/99/50/883919950.db2.gz SGCMQXIHZIQTRW-NRFANRHFSA-N 1 0 397.906 3.738 20 30 GHEDRO C=CC[C@@]1(C(=O)NC2CCC(C[NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000189691801 883971281 /nfs/dbraw/zinc/97/12/81/883971281.db2.gz LSYJKKSAIWIPOZ-IRZJEQJZSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN(C)CC2([NH+](C)C)CCC2)c1=S ZINC000189803475 884011550 /nfs/dbraw/zinc/01/15/50/884011550.db2.gz YLDAWXIITNHEIY-UHFFFAOYSA-N 1 0 389.544 3.780 20 30 GHEDRO C=C(C)[C@@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccc(F)c(F)c1 ZINC000556179025 884027101 /nfs/dbraw/zinc/02/71/01/884027101.db2.gz MWLSJKLGCZARQA-WOJBJXKFSA-N 1 0 392.471 3.897 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccc(Cl)cc1F ZINC000805775382 884057949 /nfs/dbraw/zinc/05/79/49/884057949.db2.gz GDLZKNITPUAMIU-HXUWFJFHSA-N 1 0 387.886 3.757 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000805784627 884066884 /nfs/dbraw/zinc/06/68/84/884066884.db2.gz PMIYAFJVOZHDHS-QHCPKHFHSA-N 1 0 375.516 3.716 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000897616745 884170527 /nfs/dbraw/zinc/17/05/27/884170527.db2.gz XWORRIYXYYBLQN-DZGCQCFKSA-N 1 0 376.382 3.776 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000465454983 884174811 /nfs/dbraw/zinc/17/48/11/884174811.db2.gz OMHMRRWHMSXHBH-BHIFYINESA-N 1 0 376.504 3.771 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000918696389 884176558 /nfs/dbraw/zinc/17/65/58/884176558.db2.gz WGXQIKILLTUOCP-CSKARUKUSA-N 1 0 384.520 3.750 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)[C@H](C)C(C)(C)C)c1=S ZINC000914568433 884197850 /nfs/dbraw/zinc/19/78/50/884197850.db2.gz ICMLCKMXEDVVMV-QGZVFWFLSA-N 1 0 379.618 3.952 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(c2ccc(C)cc2)CCOCC1)C(C)C ZINC000498366312 884212100 /nfs/dbraw/zinc/21/21/00/884212100.db2.gz WKKIFBFTKGGYFO-JOCHJYFZSA-N 1 0 384.564 3.858 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000465462408 884326987 /nfs/dbraw/zinc/32/69/87/884326987.db2.gz BKQHAKXTPGCRKR-WOJBJXKFSA-N 1 0 393.535 3.683 20 30 GHEDRO S=C1N=NC(c2ccccc2)N1N=Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000914691846 884522896 /nfs/dbraw/zinc/52/28/96/884522896.db2.gz GWRWOPGUPKVPFP-UHFFFAOYSA-N 1 0 393.516 3.591 20 30 GHEDRO S=C1N=NC(c2cccs2)N1N=Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000914692616 884524900 /nfs/dbraw/zinc/52/49/00/884524900.db2.gz TYEUNUIEMKVMST-UHFFFAOYSA-N 1 0 399.545 3.652 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000610445682 884590249 /nfs/dbraw/zinc/59/02/49/884590249.db2.gz DDENJJWYHIHJRN-SFHVURJKSA-N 1 0 379.529 3.773 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001126681712 884661143 /nfs/dbraw/zinc/66/11/43/884661143.db2.gz PLTBGIUXVBCNSU-DENIHFKCSA-N 1 0 375.516 3.887 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc(OC)c1O ZINC000154860998 884668606 /nfs/dbraw/zinc/66/86/06/884668606.db2.gz RWWTZSLMVIWVSF-UHFFFAOYSA-N 1 0 376.497 3.618 20 30 GHEDRO C[NH+](C)CCc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000286687893 912853994 /nfs/dbraw/zinc/85/39/94/912853994.db2.gz FIUUAMYLIGMZRL-UHFFFAOYSA-N 1 0 394.494 3.657 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898297573 884714920 /nfs/dbraw/zinc/71/49/20/884714920.db2.gz VPYXNTJHUDXXOF-UHFFFAOYSA-N 1 0 388.475 3.545 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1C ZINC000103144814 884783833 /nfs/dbraw/zinc/78/38/33/884783833.db2.gz FDHAGJDSDLTDCP-UHFFFAOYSA-N 1 0 383.517 3.886 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H]1C ZINC000498565707 884850861 /nfs/dbraw/zinc/85/08/61/884850861.db2.gz DASHCMGPQFEQDC-MSOLQXFVSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H](c3c(F)cccc3Cl)N3CCCC3)n2c1 ZINC000237755445 884857764 /nfs/dbraw/zinc/85/77/64/884857764.db2.gz MULYZPDRTFEFBS-LJQANCHMSA-N 1 0 397.885 3.925 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610614159 884869561 /nfs/dbraw/zinc/86/95/61/884869561.db2.gz CWVKWQJDWHRELI-TXEJJXNPSA-N 1 0 379.304 3.559 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000106034790 884934496 /nfs/dbraw/zinc/93/44/96/884934496.db2.gz WOFMDULTBZKELP-UHFFFAOYSA-N 1 0 376.928 3.545 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1cccc(O[C@H](C#N)CC)c1 ZINC000806806808 885008519 /nfs/dbraw/zinc/00/85/19/885008519.db2.gz FIZDZTLYHSIKOH-FQEVSTJZSA-N 1 0 386.540 3.775 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103475106 885022262 /nfs/dbraw/zinc/02/22/62/885022262.db2.gz FMTUXXIUVXGUBA-QGZVFWFLSA-N 1 0 387.487 3.840 20 30 GHEDRO N#CC1(COC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000860856320 885056233 /nfs/dbraw/zinc/05/62/33/885056233.db2.gz GNHXOTAFNNFVST-YTFSRNRJSA-N 1 0 386.495 3.921 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CC1 ZINC000106319661 885068557 /nfs/dbraw/zinc/06/85/57/885068557.db2.gz NTWPNVWZEILIEM-UHFFFAOYSA-N 1 0 390.915 3.629 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000460378679 885160553 /nfs/dbraw/zinc/16/05/53/885160553.db2.gz ZDFPHMQBKGEBNR-FUHWJXTLSA-N 1 0 385.943 3.771 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000556534395 885260893 /nfs/dbraw/zinc/26/08/93/885260893.db2.gz QVHJLBAOQDRQRT-NRFANRHFSA-N 1 0 381.501 3.919 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccc(C#N)cc1 ZINC000194880488 885297860 /nfs/dbraw/zinc/29/78/60/885297860.db2.gz KJFULPDQYHCIQX-UHFFFAOYSA-N 1 0 389.421 3.710 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001130895311 885336270 /nfs/dbraw/zinc/33/62/70/885336270.db2.gz LZEJOFCUCSHTAL-FQEVSTJZSA-N 1 0 377.488 3.740 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460395896 885375885 /nfs/dbraw/zinc/37/58/85/885375885.db2.gz WCGQAKKNJBYHQJ-HXUWFJFHSA-N 1 0 377.492 3.825 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498703429 885409321 /nfs/dbraw/zinc/40/93/21/885409321.db2.gz LGDVKNOFWAALPN-CTNGQTDRSA-N 1 0 381.520 3.930 20 30 GHEDRO C#C[C@H](NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000807535731 885510931 /nfs/dbraw/zinc/51/09/31/885510931.db2.gz DJKBIRFYFKDITP-FQEVSTJZSA-N 1 0 383.536 3.554 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(OC)cc2Br)C1=O ZINC001275282624 912943917 /nfs/dbraw/zinc/94/39/17/912943917.db2.gz UZILYUVDRXFSBL-LJQANCHMSA-N 1 0 393.325 3.601 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000747404098 885527277 /nfs/dbraw/zinc/52/72/77/885527277.db2.gz FTSOAJKZZVDSQG-UHFFFAOYSA-N 1 0 387.936 3.610 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCOc2ccccc2-c2ccccc2)CC1 ZINC000747403965 885536975 /nfs/dbraw/zinc/53/69/75/885536975.db2.gz DMLFZTJDWUBYPA-UHFFFAOYSA-N 1 0 376.500 3.726 20 30 GHEDRO COc1c(C#N)c(F)ccc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170528292 885548553 /nfs/dbraw/zinc/54/85/53/885548553.db2.gz KIMYGMXXBGBFMG-UHFFFAOYSA-N 1 0 392.478 3.615 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000532503044 885833712 /nfs/dbraw/zinc/83/37/12/885833712.db2.gz BBLJWUJKEXABGO-IBGZPJMESA-N 1 0 389.609 3.849 20 30 GHEDRO C#CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000808058760 885960927 /nfs/dbraw/zinc/96/09/27/885960927.db2.gz VTSBYHCNJASTSX-GOSISDBHSA-N 1 0 382.529 3.663 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)Cn2cccn2)ccc1OCc1cccc(C#N)c1 ZINC000532547600 885971453 /nfs/dbraw/zinc/97/14/53/885971453.db2.gz UMWFSKPGMBQAHS-KRWDZBQOSA-N 1 0 376.460 3.521 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)Cn2cccn2)ccc1OCc1cccc(C#N)c1 ZINC000532547601 885971737 /nfs/dbraw/zinc/97/17/37/885971737.db2.gz UMWFSKPGMBQAHS-QGZVFWFLSA-N 1 0 376.460 3.521 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000193405544 886027670 /nfs/dbraw/zinc/02/76/70/886027670.db2.gz PWOACUQGHXISMA-UHFFFAOYSA-N 1 0 391.519 3.539 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC000762478674 886268964 /nfs/dbraw/zinc/26/89/64/886268964.db2.gz CVUANBZONAUPMX-AEFFLSMTSA-N 1 0 390.524 3.995 20 30 GHEDRO CCn1nccc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429729627 886294987 /nfs/dbraw/zinc/29/49/87/886294987.db2.gz ZORGPLIPZUXNOM-UHFFFAOYSA-N 1 0 385.537 3.566 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000104885372 886297211 /nfs/dbraw/zinc/29/72/11/886297211.db2.gz CTNFEOZUTIPECX-PXNSSMCTSA-N 1 0 393.512 3.939 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3COc4ccccc4[C@H]3O)c2)c1 ZINC000808453310 886363273 /nfs/dbraw/zinc/36/32/73/886363273.db2.gz DAEPEUNLIKNQTJ-ISKFKSNPSA-N 1 0 386.451 3.721 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000056756987 886367190 /nfs/dbraw/zinc/36/71/90/886367190.db2.gz ASRDOIQAFGJMKK-UHFFFAOYSA-N 1 0 396.535 3.593 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000862482892 886400249 /nfs/dbraw/zinc/40/02/49/886400249.db2.gz MKAUFHFRJPNOIP-XMMPIXPASA-N 1 0 386.499 3.947 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000079798116 886496849 /nfs/dbraw/zinc/49/68/49/886496849.db2.gz IVVRAZZYZNWSMP-KGVIQGDOSA-N 1 0 376.504 3.972 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)c(Br)cc3C)C2)C1=O ZINC001275294822 913051058 /nfs/dbraw/zinc/05/10/58/913051058.db2.gz SAXGPODTWMMIND-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)C[NH+]1CCCCC1 ZINC000487970542 886626745 /nfs/dbraw/zinc/62/67/45/886626745.db2.gz SXWPUMLQSXOAAB-ZDUSSCGKSA-N 1 0 379.302 3.564 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000487972734 886638241 /nfs/dbraw/zinc/63/82/41/886638241.db2.gz ZGCCMTRWYNBXLA-MLGOLLRUSA-N 1 0 379.302 3.515 20 30 GHEDRO CC[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000073680086 886774074 /nfs/dbraw/zinc/77/40/74/886774074.db2.gz KQPHUKXRKLKVCA-QFIPXVFZSA-N 1 0 376.504 3.537 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808787515 886778696 /nfs/dbraw/zinc/77/86/96/886778696.db2.gz UKYZDXNUGGQUCX-VQTJNVASSA-N 1 0 377.469 3.623 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000808789066 886782471 /nfs/dbraw/zinc/78/24/71/886782471.db2.gz DWCAJLLWVIFHNM-PDIWNELESA-N 1 0 385.467 3.950 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193588261 886915165 /nfs/dbraw/zinc/91/51/65/886915165.db2.gz UVYWEVNNBYLKHL-MOPGFXCFSA-N 1 0 379.508 3.541 20 30 GHEDRO FC(F)(F)c1cc(Br)ccc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000794523052 887064589 /nfs/dbraw/zinc/06/45/89/887064589.db2.gz CHQCPKZRPSAELZ-CHWSQXEVSA-N 1 0 389.219 3.662 20 30 GHEDRO FC(F)(F)c1cc(Br)ccc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000794523050 887064847 /nfs/dbraw/zinc/06/48/47/887064847.db2.gz CHQCPKZRPSAELZ-BETUJISGSA-N 1 0 389.219 3.662 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)/C=C\c1ccccc1C#N ZINC000915626243 887259455 /nfs/dbraw/zinc/25/94/55/887259455.db2.gz CAYMIGFRFQFJOO-YPKPFQOOSA-N 1 0 377.488 3.608 20 30 GHEDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1-n1cccc1 ZINC000915655287 887278641 /nfs/dbraw/zinc/27/86/41/887278641.db2.gz HDMLOTDRRDSPBB-UHFFFAOYSA-N 1 0 386.499 3.861 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccc(OCC#N)cc1 ZINC000171768800 887972649 /nfs/dbraw/zinc/97/26/49/887972649.db2.gz XIZXWIHXAJODDD-GFCCVEGCSA-N 1 0 389.249 3.931 20 30 GHEDRO C#CC[C@H](CCOC)NC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001131941049 887980976 /nfs/dbraw/zinc/98/09/76/887980976.db2.gz JLAVJDWGDCGHJH-MSOLQXFVSA-N 1 0 384.442 3.633 20 30 GHEDRO N#CCc1ccc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)nc1 ZINC001170596728 888131333 /nfs/dbraw/zinc/13/13/33/888131333.db2.gz XKAQHZHZDUJSND-HSZRJFAPSA-N 1 0 386.499 3.623 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001132087926 888218507 /nfs/dbraw/zinc/21/85/07/888218507.db2.gz UGKANFKAULLJQW-AZUAARDMSA-N 1 0 394.515 3.758 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccc(Cl)cc1 ZINC000810148368 888237301 /nfs/dbraw/zinc/23/73/01/888237301.db2.gz PTWVRARENGGSQG-FQEVSTJZSA-N 1 0 396.922 3.896 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000794828437 888242687 /nfs/dbraw/zinc/24/26/87/888242687.db2.gz OWXSTGQJACEJRR-HNNXBMFYSA-N 1 0 376.298 3.789 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2ccccc2c1 ZINC000105271689 888287061 /nfs/dbraw/zinc/28/70/61/888287061.db2.gz JSGISGPGGWWQQK-UHFFFAOYSA-N 1 0 386.499 3.985 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC001127399359 888298948 /nfs/dbraw/zinc/29/89/48/888298948.db2.gz PMTHWPNUZSPPAW-KAGYGMCKSA-N 1 0 377.463 3.728 20 30 GHEDRO COC[C@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCCN1C(=O)OC(C)(C)C ZINC000810240999 888338614 /nfs/dbraw/zinc/33/86/14/888338614.db2.gz KOZPPBKMPSJXGO-SIKLNZKXSA-N 1 0 385.508 3.551 20 30 GHEDRO CC1(c2ccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc2)OCCO1 ZINC000865668966 888509240 /nfs/dbraw/zinc/50/92/40/888509240.db2.gz VGBHHZBCUIBELL-UHFFFAOYSA-N 1 0 377.488 3.536 20 30 GHEDRO CCC[NH+]1CCN(c2ccccc2CN=Nc2c(F)c(F)nc(F)c2F)CC1 ZINC000915948465 888568787 /nfs/dbraw/zinc/56/87/87/888568787.db2.gz MJWDUJJGIVTOPS-UHFFFAOYSA-N 1 0 395.404 3.616 20 30 GHEDRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1 ZINC000237590655 888692487 /nfs/dbraw/zinc/69/24/87/888692487.db2.gz VPUUFHKTTFQCSG-GOSISDBHSA-N 1 0 377.488 3.680 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000496390720 888762050 /nfs/dbraw/zinc/76/20/50/888762050.db2.gz UXVLHRDLDXHANG-HXUWFJFHSA-N 1 0 380.488 3.827 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000153923572 888864552 /nfs/dbraw/zinc/86/45/52/888864552.db2.gz UQUSOULUXZEDPS-FOIQADDNSA-N 1 0 396.560 3.641 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C3/CCc4nn(-c5ccccc5)cc4C3=O)cc2)CC1 ZINC000794951552 889028120 /nfs/dbraw/zinc/02/81/20/889028120.db2.gz FSJOKZWGYQOGES-JZJYNLBNSA-N 1 0 398.510 3.837 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763396223 889220025 /nfs/dbraw/zinc/22/00/25/889220025.db2.gz CSQNIMWSFDSFBI-LEWJYISDSA-N 1 0 399.535 3.703 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000121939958 889234269 /nfs/dbraw/zinc/23/42/69/889234269.db2.gz HEHSXAMKSOZLCL-VQTJNVASSA-N 1 0 381.476 3.848 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868119395 889304127 /nfs/dbraw/zinc/30/41/27/889304127.db2.gz PUQGSHZWCAWHSY-VXKWHMMOSA-N 1 0 390.487 3.804 20 30 GHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 ZINC000868208796 889352775 /nfs/dbraw/zinc/35/27/75/889352775.db2.gz BSUIKNLNMLVABI-SJCJKPOMSA-N 1 0 376.382 3.681 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)C(F)(F)F)c1 ZINC000868210402 889354505 /nfs/dbraw/zinc/35/45/05/889354505.db2.gz NYWSZJACAMOTLX-GOSISDBHSA-N 1 0 390.409 3.722 20 30 GHEDRO C=CCc1ccnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1C(OC)OC ZINC001170630255 889370492 /nfs/dbraw/zinc/37/04/92/889370492.db2.gz NQPNYAGYNOLPPC-UHFFFAOYSA-N 1 0 385.552 3.835 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c(SC)cc1OC ZINC000532972627 889414117 /nfs/dbraw/zinc/41/41/17/889414117.db2.gz VVGBHQKWXIWZHK-UHFFFAOYSA-N 1 0 399.516 3.758 20 30 GHEDRO C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000533046527 889611262 /nfs/dbraw/zinc/61/12/62/889611262.db2.gz FQNGUKCEJYGSSH-LADGPHEKSA-N 1 0 375.516 3.930 20 30 GHEDRO N#Cc1cnccc1C[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001170639494 889830547 /nfs/dbraw/zinc/83/05/47/889830547.db2.gz PWQMNVNRUKWFES-OFNKIYASSA-N 1 0 389.430 3.633 20 30 GHEDRO C=CCn1c(SCCC[NH+](CC)CC)nnc1[C@H]1COc2ccccc2O1 ZINC000475956084 890025939 /nfs/dbraw/zinc/02/59/39/890025939.db2.gz JEGJVIBXYBUQMC-GOSISDBHSA-N 1 0 388.537 3.801 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000533246060 890129487 /nfs/dbraw/zinc/12/94/87/890129487.db2.gz LSZCTMDQJRKNKT-LRZVDXDASA-N 1 0 382.552 3.518 20 30 GHEDRO CSC1(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC[NH+](C)CC1 ZINC000812255940 890460317 /nfs/dbraw/zinc/46/03/17/890460317.db2.gz NACONLPIJWVKTE-UHFFFAOYSA-N 1 0 396.560 3.523 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000870733802 890481645 /nfs/dbraw/zinc/48/16/45/890481645.db2.gz SNGDYNDFIOHUOD-HXUWFJFHSA-N 1 0 386.540 3.687 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C[C@@H]2C1 ZINC000812342379 890577612 /nfs/dbraw/zinc/57/76/12/890577612.db2.gz NFIAPIHXMQPLCS-UXHICEINSA-N 1 0 375.472 3.569 20 30 GHEDRO CCN(C(=O)Nc1cc(CC#N)ccn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000871725995 890992219 /nfs/dbraw/zinc/99/22/19/890992219.db2.gz DLDTUDXEIKSPAF-PXNSSMCTSA-N 1 0 377.492 3.837 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccc(F)cc1 ZINC000812877357 891057609 /nfs/dbraw/zinc/05/76/09/891057609.db2.gz XTRYFSRTPLYOIZ-JOCHJYFZSA-N 1 0 379.479 3.772 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)cc1 ZINC000812862839 891078169 /nfs/dbraw/zinc/07/81/69/891078169.db2.gz KLRWDXTVHYSXSM-HSZRJFAPSA-N 1 0 380.488 3.911 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)OCC ZINC000533689842 891137878 /nfs/dbraw/zinc/13/78/78/891137878.db2.gz KMCMYIVCUXKMQK-HXUWFJFHSA-N 1 0 387.524 3.811 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccc(F)cc1 ZINC000812939145 891151940 /nfs/dbraw/zinc/15/19/40/891151940.db2.gz VLLZLRMGFNORDQ-JOCHJYFZSA-N 1 0 379.479 3.726 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1CCc3cc(F)cc(F)c3C1)CCO2 ZINC001170696292 891258433 /nfs/dbraw/zinc/25/84/33/891258433.db2.gz RBVLVIHMSRWGJS-ZWCUEREDSA-N 1 0 377.475 3.896 20 30 GHEDRO CN1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246842912 891314258 /nfs/dbraw/zinc/31/42/58/891314258.db2.gz QLGYHQUJDPHJHZ-IEBWSBKVSA-N 1 0 387.842 3.557 20 30 GHEDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000191847422 891570381 /nfs/dbraw/zinc/57/03/81/891570381.db2.gz PMLBHZHWCFHZSS-JXFKEZNVSA-N 1 0 398.551 3.524 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873311439 891575082 /nfs/dbraw/zinc/57/50/82/891575082.db2.gz XIQVGAJRZWXOOQ-MAUKXSAKSA-N 1 0 380.517 3.774 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873310130 891575446 /nfs/dbraw/zinc/57/54/46/891575446.db2.gz NMJHFJDHLQMMFT-UPJWGTAASA-N 1 0 386.443 3.539 20 30 GHEDRO COc1ccc(CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000497454957 891628312 /nfs/dbraw/zinc/62/83/12/891628312.db2.gz BVUHDRUUQQDJQA-LJQANCHMSA-N 1 0 379.504 3.895 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CC1 ZINC000747856461 891691144 /nfs/dbraw/zinc/69/11/44/891691144.db2.gz HZDKODUGEPNWHT-OAQYLSRUSA-N 1 0 395.526 3.777 20 30 GHEDRO CC[N@H+](C[C@@H](O)COc1ccc(C(C)=O)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618809 892023428 /nfs/dbraw/zinc/02/34/28/892023428.db2.gz PKQFHFZOUGGHEH-HRAATJIYSA-N 1 0 396.487 3.592 20 30 GHEDRO Cc1cc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c(C)n1-c1ccc(C#N)cc1 ZINC001170713345 892041244 /nfs/dbraw/zinc/04/12/44/892041244.db2.gz UDXRVYSMAOUKQW-UHFFFAOYSA-N 1 0 390.531 3.914 20 30 GHEDRO CC[C@@H](/[NH+]=C/c1ccc(N(CC)CC)cc1O)c1ccccc1OCC(=O)NC ZINC000917559287 892168517 /nfs/dbraw/zinc/16/85/17/892168517.db2.gz KDAJRWQXIQCYAK-PXMCARDJSA-N 1 0 397.519 3.933 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)o1 ZINC000814176647 892336704 /nfs/dbraw/zinc/33/67/04/892336704.db2.gz TWWGYNHTROGLQO-LEWJYISDSA-N 1 0 379.460 3.678 20 30 GHEDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C(F)(F)F)c1 ZINC000814170703 892366653 /nfs/dbraw/zinc/36/66/53/892366653.db2.gz AVGJOKQSQURXBB-QGZVFWFLSA-N 1 0 390.409 3.691 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000814183860 892377789 /nfs/dbraw/zinc/37/77/89/892377789.db2.gz OZJXOHADUNDNJX-WDDBSPGISA-N 1 0 377.286 3.971 20 30 GHEDRO C=CCc1ccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OC)c1 ZINC000875044538 892428253 /nfs/dbraw/zinc/42/82/53/892428253.db2.gz KLMKSXYSGVAFPW-WOJBJXKFSA-N 1 0 397.519 3.577 20 30 GHEDRO C=CCc1ccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OC)c1 ZINC000875044535 892428275 /nfs/dbraw/zinc/42/82/75/892428275.db2.gz KLMKSXYSGVAFPW-UXHICEINSA-N 1 0 397.519 3.577 20 30 GHEDRO C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000067773510 892605761 /nfs/dbraw/zinc/60/57/61/892605761.db2.gz AWIGIHNQRPGWGW-SFHVURJKSA-N 1 0 376.504 3.831 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[NH+]1CCCCC1 ZINC000917840213 892641336 /nfs/dbraw/zinc/64/13/36/892641336.db2.gz QDACRNXVCROMLQ-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccccc1-n1cccn1)[C@@H]2CC ZINC001137096690 892847810 /nfs/dbraw/zinc/84/78/10/892847810.db2.gz VBKJKNOBZSVHEK-GGAORHGYSA-N 1 0 378.520 3.794 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C2)CC1 ZINC000533765377 892861784 /nfs/dbraw/zinc/86/17/84/892861784.db2.gz CTQPTYNGIHGNCK-NRFANRHFSA-N 1 0 388.515 3.677 20 30 GHEDRO C[NH+](C)C1(C)CCC(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000876107805 892970808 /nfs/dbraw/zinc/97/08/08/892970808.db2.gz JAVLWBPJXMMAKW-PQUAAJSLSA-N 1 0 382.430 3.724 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000814630272 892982983 /nfs/dbraw/zinc/98/29/83/892982983.db2.gz KBEXBZDXGKOLNP-UHFFFAOYSA-N 1 0 399.539 3.905 20 30 GHEDRO C#Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000933355598 893016921 /nfs/dbraw/zinc/01/69/21/893016921.db2.gz LLNWIXDOYLNQRO-UHFFFAOYSA-N 1 0 382.895 3.750 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000498055657 893085077 /nfs/dbraw/zinc/08/50/77/893085077.db2.gz WTQKHFCKDHDCED-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000876656865 893276773 /nfs/dbraw/zinc/27/67/73/893276773.db2.gz HJYHHBZXDWJLRC-HUUCEWRRSA-N 1 0 391.924 3.782 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455799405 893349943 /nfs/dbraw/zinc/34/99/43/893349943.db2.gz XUEWGMXIRUBHJU-UHFFFAOYSA-N 1 0 383.883 3.735 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(N3CCC(C[NH+]4CCCCC4)CC3)n2)c1 ZINC001185253484 913762120 /nfs/dbraw/zinc/76/21/20/913762120.db2.gz MTKNJSYCOZIKLI-UHFFFAOYSA-N 1 0 377.492 3.843 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000778215734 893389185 /nfs/dbraw/zinc/38/91/85/893389185.db2.gz FUXNMYZVMGYDIS-YLJYHZDGSA-N 1 0 386.540 3.772 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000877018340 893436370 /nfs/dbraw/zinc/43/63/70/893436370.db2.gz MQULRXZJXDFJFA-WXHSDQCUSA-N 1 0 386.311 3.702 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)cc1 ZINC001137115653 893466943 /nfs/dbraw/zinc/46/69/43/893466943.db2.gz ZPVKYQLGVQMTHW-UHFFFAOYSA-N 1 0 395.528 3.779 20 30 GHEDRO C=C[C@H](CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)c1ccccc1 ZINC000563209729 893480883 /nfs/dbraw/zinc/48/08/83/893480883.db2.gz WZTCOIGGQJVCQG-GOSISDBHSA-N 1 0 392.547 3.943 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OC)c(OCC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675136 893512243 /nfs/dbraw/zinc/51/22/43/893512243.db2.gz POKRRCRNEVXXQD-QGZVFWFLSA-N 1 0 393.491 3.819 20 30 GHEDRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)CC2=O)s1 ZINC001137117950 893554085 /nfs/dbraw/zinc/55/40/85/893554085.db2.gz IYFJJIBVSFNZLR-OAQYLSRUSA-N 1 0 381.501 3.588 20 30 GHEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C2 ZINC000877372789 893581465 /nfs/dbraw/zinc/58/14/65/893581465.db2.gz OAUZQDIXKWPFCS-GXTWGEPZSA-N 1 0 398.322 3.658 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)cc1 ZINC000815218416 893625329 /nfs/dbraw/zinc/62/53/29/893625329.db2.gz AFEFITFSFBROBH-FQEVSTJZSA-N 1 0 388.870 3.766 20 30 GHEDRO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001137121281 893649903 /nfs/dbraw/zinc/64/99/03/893649903.db2.gz ATMSMIFISCBQEK-ACDBMABISA-N 1 0 379.508 3.980 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000877545971 893679621 /nfs/dbraw/zinc/67/96/21/893679621.db2.gz NWHCLZPJOAHKRZ-ROUUACIJSA-N 1 0 391.556 3.997 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000563501921 893833762 /nfs/dbraw/zinc/83/37/62/893833762.db2.gz RUVOSKBVWYCGRD-UYAOXDASSA-N 1 0 378.451 3.775 20 30 GHEDRO Cc1nsc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000459570850 893838665 /nfs/dbraw/zinc/83/86/65/893838665.db2.gz CABWHTXGSDHHLF-WMLDXEAASA-N 1 0 383.521 3.840 20 30 GHEDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000459637032 893948181 /nfs/dbraw/zinc/94/81/81/893948181.db2.gz HVDNFGLCLRQIBD-ROUUACIJSA-N 1 0 382.483 3.857 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC1CC[NH+](CC=C)CC1 ZINC000459684915 894003574 /nfs/dbraw/zinc/00/35/74/894003574.db2.gz FBFSMFHWHLFOIS-UHFFFAOYSA-N 1 0 394.313 3.786 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000774866717 913834691 /nfs/dbraw/zinc/83/46/91/913834691.db2.gz UHMQITHNFOPKPB-KUHUBIRLSA-N 1 0 399.454 3.533 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC000815675991 894104498 /nfs/dbraw/zinc/10/44/98/894104498.db2.gz ZSTYHRPLSGYVGT-UHFFFAOYSA-N 1 0 385.305 3.820 20 30 GHEDRO CCn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000563759746 894157442 /nfs/dbraw/zinc/15/74/42/894157442.db2.gz ZADHWHNTINRSED-UHFFFAOYSA-N 1 0 378.524 3.540 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)C(=O)OC(C)(C)C ZINC000459769106 894192700 /nfs/dbraw/zinc/19/27/00/894192700.db2.gz MAOCOQURBNKSTA-QGZVFWFLSA-N 1 0 382.508 3.873 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000563795953 894202130 /nfs/dbraw/zinc/20/21/30/894202130.db2.gz FGZPYPFGQMEGJP-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO C[C@@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000878399215 894260149 /nfs/dbraw/zinc/26/01/49/894260149.db2.gz PGVLXWVYXPLZJN-OAHLLOKOSA-N 1 0 386.455 3.644 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000563989904 894410235 /nfs/dbraw/zinc/41/02/35/894410235.db2.gz NMYKFYLIFCAZPF-UHFFFAOYSA-N 1 0 390.531 3.976 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)c1ccccc1 ZINC000878605774 894432067 /nfs/dbraw/zinc/43/20/67/894432067.db2.gz MKJHLTSPTTZGRT-ZGFBMJKBSA-N 1 0 388.511 3.932 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(CC)cc1 ZINC000022805883 894452166 /nfs/dbraw/zinc/45/21/66/894452166.db2.gz VSYZZHGRICBVAI-UHFFFAOYSA-O 1 0 386.497 3.692 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000537175026 894494474 /nfs/dbraw/zinc/49/44/74/894494474.db2.gz OKDWRJUWJAUDRI-FOIQADDNSA-N 1 0 399.564 3.987 20 30 GHEDRO C=CC1(CC(=O)Nc2ccccc2CC[NH+](C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000935552483 894613311 /nfs/dbraw/zinc/61/33/11/894613311.db2.gz AJGIXTHSZGTRCD-UHFFFAOYSA-N 1 0 387.524 3.542 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000878885888 894699060 /nfs/dbraw/zinc/69/90/60/894699060.db2.gz UAGZDNJRSAQZRD-JOCHJYFZSA-N 1 0 387.524 3.662 20 30 GHEDRO CCN(CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(C)c1 ZINC000537296033 894720846 /nfs/dbraw/zinc/72/08/46/894720846.db2.gz QWOKJTRNGWHYDA-UHFFFAOYSA-N 1 0 376.548 3.947 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000816453992 894814958 /nfs/dbraw/zinc/81/49/58/894814958.db2.gz XQORTZDMXPKGQX-XMSQKQJNSA-N 1 0 378.472 3.585 20 30 GHEDRO COc1ccc([C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000879461144 895072399 /nfs/dbraw/zinc/07/23/99/895072399.db2.gz DTDDXZHLBMLWKL-DJABAAGCSA-N 1 0 385.508 3.680 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)c2ccnn2C)ccc1OCc1cccc(C#N)c1 ZINC000879685286 895233826 /nfs/dbraw/zinc/23/38/26/895233826.db2.gz FTJXVGUZBIJYQZ-INIZCTEOSA-N 1 0 376.460 3.730 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3cc4cc(Br)ccc4[nH]3)no2)CC1 ZINC000817100770 895311429 /nfs/dbraw/zinc/31/14/29/895311429.db2.gz OXPMXKKKAYJIHG-UHFFFAOYSA-N 1 0 385.265 3.793 20 30 GHEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CC(OC(C)(C)C)C1 ZINC000817287765 895442821 /nfs/dbraw/zinc/44/28/21/895442821.db2.gz QHHXAWXBOPVKKW-JCYILVPMSA-N 1 0 378.476 3.502 20 30 GHEDRO Cc1csc([C@H]2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007193 895443732 /nfs/dbraw/zinc/44/37/32/895443732.db2.gz DIZZJPYNUSRHQW-OLZOCXBDSA-N 1 0 386.546 3.690 20 30 GHEDRO CCOC(=O)c1sc([C@H]2CC[N@H+](CCCC3(C#N)CCOCC3)C2)nc1C ZINC000880324738 895641123 /nfs/dbraw/zinc/64/11/23/895641123.db2.gz MKABTNZDPIUWKV-INIZCTEOSA-N 1 0 391.537 3.518 20 30 GHEDRO N#CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCCCC1 ZINC000565617348 895762213 /nfs/dbraw/zinc/76/22/13/895762213.db2.gz SIMNPOSUEUBHBP-OAQYLSRUSA-N 1 0 395.547 3.505 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]CCCc3c(F)cccc3Cl)C2=O)cc1 ZINC000565754688 895853625 /nfs/dbraw/zinc/85/36/25/895853625.db2.gz BWXMGIGARIEJKU-FQEVSTJZSA-N 1 0 385.870 3.674 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C[C@H]1C ZINC000880928276 896006106 /nfs/dbraw/zinc/00/61/06/896006106.db2.gz PHIGQXZEMGBWKM-COXVUDFISA-N 1 0 382.430 3.676 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cc(OC)c1O ZINC000818222826 896087639 /nfs/dbraw/zinc/08/76/39/896087639.db2.gz WWYMXSGLZBLBJA-KRWDZBQOSA-N 1 0 382.504 3.754 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCc2ccc(CC#N)cc2)CCC1 ZINC000566153612 896147216 /nfs/dbraw/zinc/14/72/16/896147216.db2.gz RGPPVZFGUVLHJF-UHFFFAOYSA-N 1 0 376.504 3.607 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881134360 896181036 /nfs/dbraw/zinc/18/10/36/896181036.db2.gz IMPMWFCMQNBODH-QFIPXVFZSA-N 1 0 389.503 3.507 20 30 GHEDRO CCN(C(=O)Nc1cccc(CC#N)n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000881150317 896200846 /nfs/dbraw/zinc/20/08/46/896200846.db2.gz NSNHYQRONUPJHI-YLJYHZDGSA-N 1 0 377.492 3.837 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000818588729 896215442 /nfs/dbraw/zinc/21/54/42/896215442.db2.gz DZFBYEODMMVCAO-UHFFFAOYSA-N 1 0 377.513 3.535 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]CCC(=O)Nc2cccc(F)c2C)ccc1OC ZINC000819068933 896383526 /nfs/dbraw/zinc/38/35/26/896383526.db2.gz NHTPHRHLNPEGRZ-KRWDZBQOSA-N 1 0 399.466 3.942 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)ccc1OC ZINC000819067734 896384057 /nfs/dbraw/zinc/38/40/57/896384057.db2.gz IRFKNEJIJSXBBA-QAPCUYQASA-N 1 0 392.858 3.992 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)ccc1OC ZINC000819070578 896386728 /nfs/dbraw/zinc/38/67/28/896386728.db2.gz XFOIXTWHSSQOSI-MOPGFXCFSA-N 1 0 388.895 3.723 20 30 GHEDRO C[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CCN1c1cc[nH+]cc1 ZINC000881632852 896404605 /nfs/dbraw/zinc/40/46/05/896404605.db2.gz FBCDIKQPDLHENX-GOSISDBHSA-N 1 0 387.487 3.691 20 30 GHEDRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819172052 896444433 /nfs/dbraw/zinc/44/44/33/896444433.db2.gz VEEUOYOSWAMRQZ-KPZWWZAWSA-N 1 0 377.257 3.714 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000566647937 896451256 /nfs/dbraw/zinc/45/12/56/896451256.db2.gz WKYQCZYSPSEJNI-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000819357831 896600725 /nfs/dbraw/zinc/60/07/25/896600725.db2.gz XFXRQIRMQSFAID-KBPBESRZSA-N 1 0 388.002 3.828 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000819376330 896649766 /nfs/dbraw/zinc/64/97/66/896649766.db2.gz AAKSJMJWECXEBN-OFNKIYASSA-N 1 0 399.535 3.677 20 30 GHEDRO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)CCOCC1 ZINC000566919251 896695742 /nfs/dbraw/zinc/69/57/42/896695742.db2.gz PBCJEOURMXMNPT-SFHVURJKSA-N 1 0 376.566 3.710 20 30 GHEDRO Cc1cc(NC[C@@H](O)c2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000819476727 896745331 /nfs/dbraw/zinc/74/53/31/896745331.db2.gz LSKIAAFAIKYXHZ-HSZRJFAPSA-N 1 0 378.520 3.543 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000567103483 896876535 /nfs/dbraw/zinc/87/65/35/896876535.db2.gz FJXPUGXNPBSJJE-WMLDXEAASA-N 1 0 377.941 3.925 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1Cl ZINC000567263661 897018032 /nfs/dbraw/zinc/01/80/32/897018032.db2.gz AJTXQFBIXRRSSU-HXUWFJFHSA-N 1 0 387.911 3.821 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000567683292 897335552 /nfs/dbraw/zinc/33/55/52/897335552.db2.gz LGZFJLVNJHKMPA-FQEVSTJZSA-N 1 0 384.907 3.857 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883170678 897340257 /nfs/dbraw/zinc/34/02/57/897340257.db2.gz ZIYNTBSXUHBANE-UGKGYDQZSA-N 1 0 380.488 3.812 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000567755662 897380758 /nfs/dbraw/zinc/38/07/58/897380758.db2.gz IAFJJPCGDQATKG-PGRDOPGGSA-N 1 0 376.504 3.605 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1)[C@@H]1CCCO1 ZINC000883227814 897387412 /nfs/dbraw/zinc/38/74/12/897387412.db2.gz YYRLMKNCUPBJPW-PKTZIBPZSA-N 1 0 385.552 3.713 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000567858494 897455745 /nfs/dbraw/zinc/45/57/45/897455745.db2.gz ANNDRARORDCERX-JKSUJKDBSA-N 1 0 393.457 3.668 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883392189 897555090 /nfs/dbraw/zinc/55/50/90/897555090.db2.gz BRNUPAWYNZNKLC-FQEVSTJZSA-N 1 0 377.488 3.787 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH3+])C[C@H]2C)cc1OCC ZINC000568161928 897648513 /nfs/dbraw/zinc/64/85/13/897648513.db2.gz LZKGIFRCYUQFEI-HIFRSBDPSA-N 1 0 383.330 3.724 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000132092726 897665014 /nfs/dbraw/zinc/66/50/14/897665014.db2.gz IHUBIFIJRHGAFB-GOSISDBHSA-N 1 0 398.938 3.543 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)ccc1OC ZINC000132486253 897806900 /nfs/dbraw/zinc/80/69/00/897806900.db2.gz ARLRSNAXHWYSLO-IBGZPJMESA-N 1 0 380.492 3.661 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000821342349 897845090 /nfs/dbraw/zinc/84/50/90/897845090.db2.gz MZWWWQKWQPCQJI-NHCUHLMSSA-N 1 0 393.487 3.847 20 30 GHEDRO Cc1cc(C(C)(C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1Br ZINC000568450328 897847862 /nfs/dbraw/zinc/84/78/62/897847862.db2.gz UJJBTDNYUZLOMT-UHFFFAOYSA-N 1 0 392.341 3.925 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000106037360 898247287 /nfs/dbraw/zinc/24/72/87/898247287.db2.gz MDEFQIHMUXJGSW-UHFFFAOYSA-N 1 0 383.517 3.771 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000822225443 898258851 /nfs/dbraw/zinc/25/88/51/898258851.db2.gz CVWHCCWRWSINHG-UHFFFAOYSA-N 1 0 379.504 3.575 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000569095973 898339706 /nfs/dbraw/zinc/33/97/06/898339706.db2.gz OFADHOJACYMEOA-MOXGXCLJSA-N 1 0 391.298 3.945 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc4ccccc4nc3OC)C2)C1 ZINC001137201234 898467474 /nfs/dbraw/zinc/46/74/74/898467474.db2.gz LQZOGTYLWHRJIT-QHCPKHFHSA-N 1 0 395.503 3.854 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000822643618 898527021 /nfs/dbraw/zinc/52/70/21/898527021.db2.gz NZRMABYGJUWCRW-UHFFFAOYSA-N 1 0 391.515 3.871 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCCO)CC(C)(C)C ZINC000109747516 898583775 /nfs/dbraw/zinc/58/37/75/898583775.db2.gz APSRWOIFMNKJGZ-MRXNPFEDSA-N 1 0 377.554 3.750 20 30 GHEDRO O=C(OC[C@H](F)C(F)(F)F)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000800164822 898692386 /nfs/dbraw/zinc/69/23/86/898692386.db2.gz ALXYMBACESKSRR-GXTWGEPZSA-N 1 0 387.295 3.885 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H](Cc3ccccc3)C(=O)Nc3ccccc3)n2c1 ZINC000569480873 898700812 /nfs/dbraw/zinc/70/08/12/898700812.db2.gz OPWDHHNORCXFDZ-JOCHJYFZSA-N 1 0 395.466 3.546 20 30 GHEDRO C#CCCOc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000822872858 898703494 /nfs/dbraw/zinc/70/34/94/898703494.db2.gz ASZXWHHPDWWTTA-UHFFFAOYSA-N 1 0 382.529 3.792 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 ZINC000884094708 898853898 /nfs/dbraw/zinc/85/38/98/898853898.db2.gz SDPGJAFRFWZPPS-FVOGYEMRSA-N 1 0 379.891 3.685 20 30 GHEDRO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c2)C1 ZINC000884107060 898897156 /nfs/dbraw/zinc/89/71/56/898897156.db2.gz LDMXFQRDQFGXMY-BDGVCGKUSA-N 1 0 381.520 3.860 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](C)C1 ZINC000289697155 914302225 /nfs/dbraw/zinc/30/22/25/914302225.db2.gz GHHGRYDCVJEHQX-HRAATJIYSA-N 1 0 393.491 3.940 20 30 GHEDRO CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1c(Cl)cccc1Cl ZINC000884127448 898996756 /nfs/dbraw/zinc/99/67/56/898996756.db2.gz DUDRKDGPZKJVAM-MLZJXEJWSA-N 1 0 380.319 3.527 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000113901042 899039924 /nfs/dbraw/zinc/03/99/24/899039924.db2.gz MOBSLAFCPGDDCJ-HZXPXBNSSA-N 1 0 381.520 3.715 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)ccn1 ZINC000289727261 914316981 /nfs/dbraw/zinc/31/69/81/914316981.db2.gz IATDNLLWTIWXBJ-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884172376 899182663 /nfs/dbraw/zinc/18/26/63/899182663.db2.gz UBAWUSGKBLGFEM-MQGAHJBISA-N 1 0 378.303 3.578 20 30 GHEDRO Cc1nc(C#N)c(C#N)nc1N[C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)C[C@@H]1C ZINC001171032363 899250743 /nfs/dbraw/zinc/25/07/43/899250743.db2.gz UGNDSUJZXZKBJL-SFPCTXLHSA-N 1 0 380.540 3.899 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(Oc3ccc(Cl)cn3)cc1)C2 ZINC000884202093 899337425 /nfs/dbraw/zinc/33/74/25/899337425.db2.gz PMDVNQZATUOJIB-LQZXRHCMSA-N 1 0 382.851 3.605 20 30 GHEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000118805894 899472400 /nfs/dbraw/zinc/47/24/00/899472400.db2.gz JJOFOFSFXDLXNO-FQEVSTJZSA-N 1 0 392.503 3.747 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C#N)ccc1F ZINC000824380631 899575044 /nfs/dbraw/zinc/57/50/44/899575044.db2.gz RPUWRTCGBRIASM-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000120486686 899827055 /nfs/dbraw/zinc/82/70/55/899827055.db2.gz QWAPNFHNRNAZJB-VGSWGCGISA-N 1 0 377.488 3.549 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000571754126 899965100 /nfs/dbraw/zinc/96/51/00/899965100.db2.gz IKLDSBJQINQLGL-YFNKSVMNSA-N 1 0 377.532 3.644 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572350801 900157088 /nfs/dbraw/zinc/15/70/88/900157088.db2.gz VBBCYDGLBYXJCF-JOCHJYFZSA-N 1 0 395.551 3.826 20 30 GHEDRO COc1ccc(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc1C(F)(F)F ZINC001143636235 900257470 /nfs/dbraw/zinc/25/74/70/900257470.db2.gz CZEMEFQDSYTHRR-UONOGXRCSA-N 1 0 389.311 3.941 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282926273 900283455 /nfs/dbraw/zinc/28/34/55/900283455.db2.gz FJBFWHWADSUCPP-LBPRGKRZSA-N 1 0 384.402 3.651 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4cc(Cl)ccc4C3)CC2)cc1 ZINC001171108004 900549090 /nfs/dbraw/zinc/54/90/90/900549090.db2.gz GANJMVUJHJHWKV-JOCHJYFZSA-N 1 0 393.918 3.963 20 30 GHEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)c1OC ZINC000573837810 900654424 /nfs/dbraw/zinc/65/44/24/900654424.db2.gz XQLKBHUMMNUBKS-UHFFFAOYSA-N 1 0 381.476 3.759 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccc(CC)cc2)cc1 ZINC000136510817 900693111 /nfs/dbraw/zinc/69/31/11/900693111.db2.gz HXLFYHAKJGPGKS-IBGZPJMESA-O 1 0 397.564 3.664 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](CC(C)(C)Sc3ccc(Cl)cc3)C2)C1=O ZINC001275515081 914469761 /nfs/dbraw/zinc/46/97/61/914469761.db2.gz HTHGKRIKXRCKPN-FQEVSTJZSA-N 1 0 376.953 3.768 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001171120821 900770955 /nfs/dbraw/zinc/77/09/55/900770955.db2.gz UIHRXFBMDVMBJY-SJORKVTESA-N 1 0 396.922 3.745 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844377470 900805468 /nfs/dbraw/zinc/80/54/68/900805468.db2.gz WOVAAAMKYDXLON-NRFANRHFSA-N 1 0 383.879 3.524 20 30 GHEDRO COc1cc(C)cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1OC ZINC000886153240 900846906 /nfs/dbraw/zinc/84/69/06/900846906.db2.gz ANNUJNQIGNVTDJ-UHFFFAOYSA-N 1 0 379.504 3.638 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC000844462370 900892921 /nfs/dbraw/zinc/89/29/21/900892921.db2.gz OJANXVRUUNFRAH-NJYVYQBISA-N 1 0 399.535 3.985 20 30 GHEDRO COC[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCCOC1 ZINC000886359768 900954976 /nfs/dbraw/zinc/95/49/76/900954976.db2.gz JOPJEDQNWSPMIQ-JTHBVZDNSA-N 1 0 380.488 3.668 20 30 GHEDRO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886410722 900986916 /nfs/dbraw/zinc/98/69/16/900986916.db2.gz AHMDYADNYHBPGS-NFBKMPQASA-N 1 0 399.535 3.758 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000574899451 901044513 /nfs/dbraw/zinc/04/45/13/901044513.db2.gz VBJMWHBRHKLFDV-ROUUACIJSA-N 1 0 389.588 3.693 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401076 901054470 /nfs/dbraw/zinc/05/44/70/901054470.db2.gz DVDWMRDUJRVLJV-JOCHJYFZSA-N 1 0 397.906 3.986 20 30 GHEDRO C[C@H](NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccs1 ZINC000844595898 901061616 /nfs/dbraw/zinc/06/16/16/901061616.db2.gz BRRLQEIGQATFEG-HNNXBMFYSA-N 1 0 384.574 3.809 20 30 GHEDRO COc1ccc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1F ZINC000844597496 901062644 /nfs/dbraw/zinc/06/26/44/901062644.db2.gz ZGMIHKANCIJCGB-UHFFFAOYSA-N 1 0 398.507 3.657 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(NC2CCN(c3cnc4ccccc4n3)CC2)cc1C#N ZINC001171140997 901095932 /nfs/dbraw/zinc/09/59/32/901095932.db2.gz FWZHWIMZBJOMCA-WGOQTCKBSA-N 1 0 399.502 3.804 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2ccccc2Cl)nc1)C1CC[NH+](C)CC1 ZINC000886581455 901176570 /nfs/dbraw/zinc/17/65/70/901176570.db2.gz XXYGFXNDIZXUHH-UHFFFAOYSA-N 1 0 383.879 3.697 20 30 GHEDRO C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000844714533 901192150 /nfs/dbraw/zinc/19/21/50/901192150.db2.gz AALUHLFBJQGEKP-HSALFYBXSA-N 1 0 391.515 3.641 20 30 GHEDRO N#Cc1ccc(CN(Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)nc1 ZINC001144166569 901210993 /nfs/dbraw/zinc/21/09/93/901210993.db2.gz LDDCQBXHYSBSIY-DEOSSOPVSA-N 1 0 396.494 3.757 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000575400339 901223873 /nfs/dbraw/zinc/22/38/73/901223873.db2.gz IIFJAUKWWJMOQD-HXUWFJFHSA-N 1 0 393.535 3.637 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)n(-c2ccc(F)cc2)n1)C(C)C ZINC001144197482 901238297 /nfs/dbraw/zinc/23/82/97/901238297.db2.gz ITEUBBJWVJDIFW-NRFANRHFSA-N 1 0 384.499 3.748 20 30 GHEDRO C=CCC1(O)CC[NH+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000886774627 901266272 /nfs/dbraw/zinc/26/62/72/901266272.db2.gz RJIWIKGXSAQULC-QFIPXVFZSA-N 1 0 396.556 3.625 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000575771328 901287701 /nfs/dbraw/zinc/28/77/01/901287701.db2.gz LOGNHBSVZJBFSA-IEBWSBKVSA-N 1 0 378.394 3.776 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC(c4ccc(Cl)cc4)C3)C2=O)cc1 ZINC000575810567 901330266 /nfs/dbraw/zinc/33/02/66/901330266.db2.gz LBFGNYWAOPQWSZ-MNLRITNHSA-N 1 0 379.891 3.848 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N[C@H](c2cccs2)c2ccc(CC)cc2)CCOCC1 ZINC000887123417 901444505 /nfs/dbraw/zinc/44/45/05/901444505.db2.gz OFNMQYVTZRQAPA-QFIPXVFZSA-N 1 0 396.556 3.678 20 30 GHEDRO CC(=O)N(C)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000092538714 901498568 /nfs/dbraw/zinc/49/85/68/901498568.db2.gz NPFREDRAKQGTRK-UHFFFAOYSA-N 1 0 377.488 3.580 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1Cl ZINC000093454428 901545435 /nfs/dbraw/zinc/54/54/35/901545435.db2.gz KXJIUELVAKCWNM-LJQANCHMSA-N 1 0 375.900 3.584 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(C#N)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000576044502 901613358 /nfs/dbraw/zinc/61/33/58/901613358.db2.gz VUGPYDJTVCBTMM-RBBKRZOGSA-N 1 0 392.459 3.543 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C\SCc3ccco3)CC2)c1 ZINC000845002783 901633506 /nfs/dbraw/zinc/63/35/06/901633506.db2.gz NHCWNQYATGWNMT-WQLSENKSSA-N 1 0 381.501 3.679 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000845006163 901638369 /nfs/dbraw/zinc/63/83/69/901638369.db2.gz CKOIQRUCYZJGEW-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 ZINC000845006050 901639815 /nfs/dbraw/zinc/63/98/15/901639815.db2.gz BPVQJMVIWWCPOA-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001144405582 902063718 /nfs/dbraw/zinc/06/37/18/902063718.db2.gz XJUBFUBDVKSOFU-KMFTYDHNSA-N 1 0 391.515 3.508 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1OCCc2ccccc21 ZINC000576599477 902120322 /nfs/dbraw/zinc/12/03/22/902120322.db2.gz VMLHXEWPPHOVFG-IBGZPJMESA-N 1 0 395.528 3.683 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000576658272 902164424 /nfs/dbraw/zinc/16/44/24/902164424.db2.gz XIQIYFWBFMACLQ-NRFANRHFSA-N 1 0 378.520 3.692 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F ZINC001171183603 902177474 /nfs/dbraw/zinc/17/74/74/902177474.db2.gz GSBKUNLEXAXCNV-ATZDWAIDSA-N 1 0 375.488 3.674 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000125716306 902242362 /nfs/dbraw/zinc/24/23/62/902242362.db2.gz SCNNDRKPXCGYBQ-AZUAARDMSA-N 1 0 392.434 3.660 20 30 GHEDRO CON(C[C@H]1CCC[C@@H](C)C1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845745695 902361458 /nfs/dbraw/zinc/36/14/58/902361458.db2.gz BSNAVZCYYJYXPT-QUCCMNQESA-N 1 0 398.551 3.922 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001171213064 902708079 /nfs/dbraw/zinc/70/80/79/902708079.db2.gz TYBQWNUKTJIDTH-PXNSSMCTSA-N 1 0 395.478 3.726 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001171216012 902720809 /nfs/dbraw/zinc/72/08/09/902720809.db2.gz FTBPPAPMKUCUKE-XXBNENTESA-N 1 0 391.515 3.725 20 30 GHEDRO CCN1CC[C@@]2(C[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001171217320 902755520 /nfs/dbraw/zinc/75/55/20/902755520.db2.gz OSJMXSWTOFZMHW-CYSDGLOUSA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001171217375 902755712 /nfs/dbraw/zinc/75/57/12/902755712.db2.gz OXCFPYHVFMDDCK-ZPZUNKDASA-N 1 0 389.543 3.507 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001171217361 902755930 /nfs/dbraw/zinc/75/59/30/902755930.db2.gz OUPHDEQXJQVDQP-GCJKJVERSA-N 1 0 379.548 3.898 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c(OC)c1 ZINC000577422918 902758708 /nfs/dbraw/zinc/75/87/08/902758708.db2.gz USOTZMALSITPKM-UNMCSNQZSA-N 1 0 399.506 3.867 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001171218982 902790795 /nfs/dbraw/zinc/79/07/95/902790795.db2.gz YHUPKEJKRZHLAB-IBGZPJMESA-N 1 0 388.515 3.541 20 30 GHEDRO CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000264092843 902838102 /nfs/dbraw/zinc/83/81/02/902838102.db2.gz LMUVYGQXOFIZSG-AWEZNQCLSA-N 1 0 384.480 3.615 20 30 GHEDRO CC[C@@H](CC#N)[NH2+]CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000577528073 902848853 /nfs/dbraw/zinc/84/88/53/902848853.db2.gz SWWZOCUJCILYCP-FPOVZHCZSA-N 1 0 385.533 3.687 20 30 GHEDRO CC[C@@H](CC#N)[NH2+]CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000577528074 902848929 /nfs/dbraw/zinc/84/89/29/902848929.db2.gz SWWZOCUJCILYCP-PZJWPPBQSA-N 1 0 385.533 3.687 20 30 GHEDRO COc1cccc([C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)c2cc(F)ccc2OC)c1 ZINC000600727905 902851204 /nfs/dbraw/zinc/85/12/04/902851204.db2.gz LKZYDCZKHGUXDH-UWJYYQICSA-N 1 0 384.451 3.577 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)cc1 ZINC000129763103 902851703 /nfs/dbraw/zinc/85/17/03/902851703.db2.gz QNIQPWCJGODIEY-NRFANRHFSA-N 1 0 385.471 3.763 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000600731215 902853961 /nfs/dbraw/zinc/85/39/61/902853961.db2.gz VMUQEBAIVIVMRD-HRAATJIYSA-N 1 0 398.890 3.845 20 30 GHEDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000600733924 902857630 /nfs/dbraw/zinc/85/76/30/902857630.db2.gz LRHVIKSPIRTSLT-KBXCAEBGSA-N 1 0 378.394 3.710 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000600743097 902864634 /nfs/dbraw/zinc/86/46/34/902864634.db2.gz ZKDXTKVODAFEGU-UHFFFAOYSA-N 1 0 375.509 3.604 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC/C=C\c2ccc(Br)cc2)CCOCC1 ZINC000600746162 902868195 /nfs/dbraw/zinc/86/81/95/902868195.db2.gz LHXKINYUILMEJG-PBMKKYJASA-N 1 0 393.325 3.513 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1)C(C)C ZINC000846340127 902903122 /nfs/dbraw/zinc/90/31/22/902903122.db2.gz GWNAJBMGMUUQGL-JOCHJYFZSA-N 1 0 379.504 3.594 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001171228826 903010943 /nfs/dbraw/zinc/01/09/43/903010943.db2.gz JIMGLWQEUCFRTI-UWJYYQICSA-N 1 0 382.529 3.772 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001171228819 903011212 /nfs/dbraw/zinc/01/12/12/903011212.db2.gz JIMGLWQEUCFRTI-LAUBAEHRSA-N 1 0 382.529 3.772 20 30 GHEDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000264521640 903168464 /nfs/dbraw/zinc/16/84/64/903168464.db2.gz ICIXJCWYTAATCN-QGZVFWFLSA-N 1 0 392.569 3.760 20 30 GHEDRO N#CC1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC2(CC2)C1 ZINC000600998467 903207978 /nfs/dbraw/zinc/20/79/78/903207978.db2.gz JGRNEOUOKWTCSL-UHFFFAOYSA-N 1 0 380.492 3.524 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC ZINC000772954893 903229778 /nfs/dbraw/zinc/22/97/78/903229778.db2.gz QIMRLBJEYJVDHD-OAHLLOKOSA-N 1 0 389.517 3.687 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000133887007 903438451 /nfs/dbraw/zinc/43/84/51/903438451.db2.gz UTLKTSYGIYKBBM-IBGZPJMESA-N 1 0 388.309 3.622 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2cccc(C)c2)c1 ZINC000134135030 903471247 /nfs/dbraw/zinc/47/12/47/903471247.db2.gz UIHGUJBNZHMUCX-IBGZPJMESA-O 1 0 397.564 3.997 20 30 GHEDRO COCc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc(C(C)(C)C)n1 ZINC001171275030 903479038 /nfs/dbraw/zinc/47/90/38/903479038.db2.gz MZOZSFHUNYIPCA-UHFFFAOYSA-N 1 0 393.535 3.891 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccccc2)cc1C ZINC000134218681 903481731 /nfs/dbraw/zinc/48/17/31/903481731.db2.gz SIAFEMZLFNHUEH-LJQANCHMSA-O 1 0 383.537 3.688 20 30 GHEDRO CC1(C)NC(=O)Cc2cc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC001171276664 903520756 /nfs/dbraw/zinc/52/07/56/903520756.db2.gz CZXATSGMMCZKFJ-UHFFFAOYSA-N 1 0 388.515 3.564 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000578107879 903525297 /nfs/dbraw/zinc/52/52/97/903525297.db2.gz KEMNCSIHYDMKKS-HSZRJFAPSA-N 1 0 389.499 3.588 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)/C=C\C(=O)c3ccc(C)cc3)CC2)c1 ZINC001146832895 903619875 /nfs/dbraw/zinc/61/98/75/903619875.db2.gz IVWWUJMXOBUNOJ-KHPPLWFESA-N 1 0 392.499 3.523 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C2)C1=O ZINC001171312179 903835029 /nfs/dbraw/zinc/83/50/29/903835029.db2.gz QUEARKLAIVRBSO-OPAMFIHVSA-N 1 0 388.939 3.706 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779070904 903844474 /nfs/dbraw/zinc/84/44/74/903844474.db2.gz KFYJSPQYVCQUGD-WMZOPIPTSA-N 1 0 396.466 3.760 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000772983407 903850413 /nfs/dbraw/zinc/85/04/13/903850413.db2.gz HONBNLDKQQINGM-RHSMWYFYSA-N 1 0 390.480 3.761 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c(F)c1F ZINC001186723788 914779919 /nfs/dbraw/zinc/77/99/19/914779919.db2.gz ZRWNOWXTGMUBCI-UHFFFAOYSA-N 1 0 384.417 3.920 20 30 GHEDRO C[C@H](C#N)c1cccc(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC001148625068 904143714 /nfs/dbraw/zinc/14/37/14/904143714.db2.gz UECSLHBSCWVFEP-LJQANCHMSA-N 1 0 375.516 3.998 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000578821441 904149787 /nfs/dbraw/zinc/14/97/87/904149787.db2.gz PETYFANHGYJAQY-QFIPXVFZSA-N 1 0 383.499 3.596 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000578864891 904191996 /nfs/dbraw/zinc/19/19/96/904191996.db2.gz YDFBSNVEWMGLRK-HNNXBMFYSA-N 1 0 392.381 3.530 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3c(F)cc(C#N)cc3Cl)cc2)CC1 ZINC001149005624 904266383 /nfs/dbraw/zinc/26/63/83/904266383.db2.gz ODEFEQMPPCMQHG-UHFFFAOYSA-N 1 0 386.858 3.745 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000579103192 904351878 /nfs/dbraw/zinc/35/18/78/904351878.db2.gz HFSMTUHBUYIUPI-UHFFFAOYSA-N 1 0 394.899 3.692 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)cc1C#N ZINC000773082319 904418075 /nfs/dbraw/zinc/41/80/75/904418075.db2.gz HYNUGKNNMINEBS-INIZCTEOSA-N 1 0 376.460 3.730 20 30 GHEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000579411889 904575884 /nfs/dbraw/zinc/57/58/84/904575884.db2.gz CWGJKDBXCTYCQR-DEOSSOPVSA-N 1 0 399.494 3.757 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1F ZINC000579413223 904578965 /nfs/dbraw/zinc/57/89/65/904578965.db2.gz KPNOXVXMXRMKAD-UHFFFAOYSA-N 1 0 376.501 3.571 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000579498890 904654432 /nfs/dbraw/zinc/65/44/32/904654432.db2.gz PMMDHBNBGTZXOF-GHTZIAJQSA-N 1 0 389.421 3.909 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171442796 904680439 /nfs/dbraw/zinc/68/04/39/904680439.db2.gz SUELSJBEXNKAMA-FQEVSTJZSA-N 1 0 392.478 3.841 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCc4cc(F)c(F)cc4C3)CC2)cc1 ZINC001171455060 904719908 /nfs/dbraw/zinc/71/99/08/904719908.db2.gz ZFFXQYDXUFXOGF-NRFANRHFSA-N 1 0 381.470 3.948 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171536716 904762884 /nfs/dbraw/zinc/76/28/84/904762884.db2.gz VFHGAPLYTNSQTQ-ZHRRBRCNSA-N 1 0 392.465 3.994 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(NC[C@@H]2CCC(=O)N(Cc3ccccc3)C2)cc1C#N ZINC001171526763 904806361 /nfs/dbraw/zinc/80/63/61/904806361.db2.gz AGZWDWPAUONMGQ-OJWZXOLNSA-N 1 0 389.503 3.630 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1OC ZINC000779161289 904953893 /nfs/dbraw/zinc/95/38/93/904953893.db2.gz LZOPKNCSTPTMLC-FUHWJXTLSA-N 1 0 390.524 3.995 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1ccccc1CC#N)[NH2+][C@@H](C)c1ccccc1 ZINC001186858559 914866723 /nfs/dbraw/zinc/86/67/23/914866723.db2.gz NALQTZQGAUJFES-SFHVURJKSA-N 1 0 399.560 3.941 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171814177 905073516 /nfs/dbraw/zinc/07/35/16/905073516.db2.gz MDPZVIPTEBAUEM-BCDXTJNWSA-N 1 0 381.561 3.615 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)cc1 ZINC001171863079 905111596 /nfs/dbraw/zinc/11/15/96/905111596.db2.gz WBLNTVPGHNJGPE-UHFFFAOYSA-N 1 0 384.520 3.830 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171980312 905232319 /nfs/dbraw/zinc/23/23/19/905232319.db2.gz IESJVUVXTZDDMQ-DHLKQENFSA-N 1 0 395.591 3.930 20 30 GHEDRO CC1(C)C[C@@H](N2CCN(c3cc(C#N)ccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988747 905252517 /nfs/dbraw/zinc/25/25/17/905252517.db2.gz UQKJEVJFPKWADL-QFIPXVFZSA-N 1 0 389.547 3.518 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(Cl)cn1)C2 ZINC001172082338 905295869 /nfs/dbraw/zinc/29/58/69/905295869.db2.gz GLMRNDIRPXVVOP-QDMKHBRRSA-N 1 0 378.904 3.761 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001172307662 905463811 /nfs/dbraw/zinc/46/38/11/905463811.db2.gz PZSXIVQWGCBEAB-OAHLLOKOSA-N 1 0 389.425 3.510 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001172307752 905465062 /nfs/dbraw/zinc/46/50/62/905465062.db2.gz JBLAWOBZXDZTMD-SFHVURJKSA-N 1 0 396.560 3.565 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001172309961 905467360 /nfs/dbraw/zinc/46/73/60/905467360.db2.gz CRMOGNAYDBUKHT-UWJYYQICSA-N 1 0 382.529 3.772 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001172312612 905468983 /nfs/dbraw/zinc/46/89/83/905468983.db2.gz HSGRCXWLMQCCSO-AWEZNQCLSA-N 1 0 389.425 3.557 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001172354528 905524467 /nfs/dbraw/zinc/52/44/67/905524467.db2.gz IYFAMFQABBMHOE-XPNTWCBSSA-N 1 0 394.600 3.998 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001172355897 905526947 /nfs/dbraw/zinc/52/69/47/905526947.db2.gz FEWOUSXBEIMUQH-QGZVFWFLSA-N 1 0 379.545 3.777 20 30 GHEDRO C[C@H](CCCC#N)[N@H+](C1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172503739 905601494 /nfs/dbraw/zinc/60/14/94/905601494.db2.gz HAUUHGSSQXOMAQ-GOSISDBHSA-N 1 0 392.588 3.864 20 30 GHEDRO CCC[N@H+]([C@H](C)CCCC#N)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001172507291 905603566 /nfs/dbraw/zinc/60/35/66/905603566.db2.gz SBIRWBXQLXIQKB-CABCVRRESA-N 1 0 379.526 3.965 20 30 GHEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)C[C@H]21 ZINC000627656416 905673170 /nfs/dbraw/zinc/67/31/70/905673170.db2.gz IOKVUZLSUZSXNO-ITGUQSILSA-N 1 0 398.322 3.608 20 30 GHEDRO CC1(C)CC([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC(C)(C)O1 ZINC001172656747 905720161 /nfs/dbraw/zinc/72/01/61/905720161.db2.gz MYHKEMZEBMAMJL-QHCPKHFHSA-N 1 0 381.520 3.723 20 30 GHEDRO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)CC2 ZINC001172829890 905859786 /nfs/dbraw/zinc/85/97/86/905859786.db2.gz ACAAKEUAURKAHM-DHLKQENFSA-N 1 0 385.511 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2c(F)cccc2Cl)C[C@H]1C#N ZINC001172968429 906029895 /nfs/dbraw/zinc/02/98/95/906029895.db2.gz RGDKFVIGVORLIO-KGLIPLIRSA-N 1 0 381.879 3.903 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)C[C@H]1C#N ZINC001172970642 906033403 /nfs/dbraw/zinc/03/34/03/906033403.db2.gz ISVUHBPZVDZVJK-PCCBWWKXSA-N 1 0 398.551 3.705 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1OC ZINC001172971623 906034746 /nfs/dbraw/zinc/03/47/46/906034746.db2.gz RWWCSNAGJOIBIQ-OIISXLGYSA-N 1 0 389.496 3.646 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1OC ZINC001172971627 906034806 /nfs/dbraw/zinc/03/48/06/906034806.db2.gz RWWCSNAGJOIBIQ-UAGQMJEPSA-N 1 0 389.496 3.646 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C[C@H]1C#N ZINC001172972532 906037045 /nfs/dbraw/zinc/03/70/45/906037045.db2.gz ACJBDQZRRQDYCA-IJEWVQPXSA-N 1 0 377.872 3.655 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3ccccc3c3c2CC[C@H]([NH3+])C3)C[C@H]1C#N ZINC001172976535 906042279 /nfs/dbraw/zinc/04/22/79/906042279.db2.gz QIUYKVQYCILUSN-BBWFWOEESA-N 1 0 394.519 3.921 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCCCCCCCCO)C[C@H]1C#N ZINC001172977477 906044321 /nfs/dbraw/zinc/04/43/21/906044321.db2.gz BRLHORNOGNTZQE-MOPGFXCFSA-N 1 0 381.561 3.981 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(CC3CCC3)CCOCC2)C[C@H]1C#N ZINC001172978456 906045459 /nfs/dbraw/zinc/04/54/59/906045459.db2.gz QKHSRZLSRALWBL-OALUTQOASA-N 1 0 391.556 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2COc3cc(Cl)ccc32)C[C@H]1C#N ZINC001172978866 906045730 /nfs/dbraw/zinc/04/57/30/906045730.db2.gz TVXRMAOAFNLHMS-OFQRWUPVSA-N 1 0 377.872 3.655 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2)C2(O)CCC2)C[C@H]1C#N ZINC001172981955 906047043 /nfs/dbraw/zinc/04/70/43/906047043.db2.gz QSHFOLKBQZZGBW-CEXWTWQISA-N 1 0 385.508 3.524 20 30 GHEDRO COc1cccc2c(C[NH3+])cn([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c21 ZINC001172982177 906049369 /nfs/dbraw/zinc/04/93/69/906049369.db2.gz VDPSAAUGRNYCMH-HOTGVXAUSA-N 1 0 384.480 3.573 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1C ZINC000177152271 906049497 /nfs/dbraw/zinc/04/94/97/906049497.db2.gz RLWFYWPDMRBSCN-UHFFFAOYSA-N 1 0 387.480 3.610 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ccccc2)C2CCOCC2)C[C@H]1C#N ZINC001172984488 906049527 /nfs/dbraw/zinc/04/95/27/906049527.db2.gz LORRXTRUKWYPFG-SFTDATJTSA-N 1 0 399.535 3.959 20 30 GHEDRO Cc1ccccc1O[C@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172985592 906052011 /nfs/dbraw/zinc/05/20/11/906052011.db2.gz RZOMQYRIGOTKEC-QYZOEREBSA-N 1 0 385.508 3.740 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000190631812 906184941 /nfs/dbraw/zinc/18/49/41/906184941.db2.gz INYMFAGTQNRBTA-KUHUBIRLSA-N 1 0 398.304 3.772 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)CC1 ZINC001173321253 906370348 /nfs/dbraw/zinc/37/03/48/906370348.db2.gz ZHSYLOLJPIIIBJ-HRTMPFAESA-N 1 0 382.548 3.981 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCCC[C@H]2[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173326044 906373880 /nfs/dbraw/zinc/37/38/80/906373880.db2.gz RDDAKNGUACCCAS-OZODEMHJSA-N 1 0 391.556 3.997 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](C3CCC(CC#N)CC3)CC2)Oc2ccccc21 ZINC001173335356 906379721 /nfs/dbraw/zinc/37/97/21/906379721.db2.gz IXJUWRCUWIOAJY-GPJFCIFZSA-N 1 0 395.547 3.996 20 30 GHEDRO C=CCOC1CCC([NH2+][C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001173318484 906389295 /nfs/dbraw/zinc/38/92/95/906389295.db2.gz WRBXYEOMUUXXLU-HJOIGYKYSA-N 1 0 384.476 3.532 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C)cc1 ZINC000178904076 906399658 /nfs/dbraw/zinc/39/96/58/906399658.db2.gz RXSBSSNLRTYRSQ-UHFFFAOYSA-O 1 0 385.578 3.663 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCC2)C(=S)NCCSC ZINC000178903959 906399949 /nfs/dbraw/zinc/39/99/49/906399949.db2.gz RRPVWGNIURSHAD-UHFFFAOYSA-O 1 0 399.605 3.917 20 30 GHEDRO CC[N@H+](CCC#N)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173377051 906407290 /nfs/dbraw/zinc/40/72/90/906407290.db2.gz HFDQYVLDVCCTQF-ZACQAIPSSA-N 1 0 380.529 3.690 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC001173379491 906410839 /nfs/dbraw/zinc/41/08/39/906410839.db2.gz RAFWFDONTPSMMN-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO CC[N@H+](CCc1ccc(OC)cc1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173436631 906451217 /nfs/dbraw/zinc/45/12/17/906451217.db2.gz YAONHRBZJYSEFJ-UHFFFAOYSA-N 1 0 391.515 3.736 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC001173423762 906460103 /nfs/dbraw/zinc/46/01/03/906460103.db2.gz MARBJZLGQCCUOG-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO COc1cc(OC)cc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173424012 906460413 /nfs/dbraw/zinc/46/04/13/906460413.db2.gz BJRZNCUDRZPIIG-INIZCTEOSA-N 1 0 393.487 3.531 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCC3(C[C@@H]3C(=O)OCC)CC1)C2 ZINC001173613813 906540944 /nfs/dbraw/zinc/54/09/44/906540944.db2.gz YNDXVEUUHJELSW-ZSKQYQJRSA-N 1 0 391.552 3.572 20 30 GHEDRO Cc1cccc(Cn2c(=O)ccc3c2CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C3)n1 ZINC001173587149 906545668 /nfs/dbraw/zinc/54/56/68/906545668.db2.gz OEZRAPVJPLLPOO-ITGJCUMNSA-N 1 0 390.531 3.519 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@@H+](C1CCC(C)(C#N)CC1)CCO2 ZINC001173594166 906547086 /nfs/dbraw/zinc/54/70/86/906547086.db2.gz UBRHVLYDHTVCOO-JITJBCMDSA-N 1 0 377.529 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173592854 906547203 /nfs/dbraw/zinc/54/72/03/906547203.db2.gz BSRLKHHPJIOFSJ-JITJBCMDSA-N 1 0 377.529 3.561 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCC3(C[C@@H]3C(=O)OCC)CC1)CC2 ZINC001173610136 906564366 /nfs/dbraw/zinc/56/43/66/906564366.db2.gz FGSXTOMZBFYNHD-PVHVISOTSA-N 1 0 388.552 3.532 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([NH+]1CCC(Oc3ccccc3C#N)CC1)CC2 ZINC001173623754 906571473 /nfs/dbraw/zinc/57/14/73/906571473.db2.gz RWUDKHBHFTXGRC-WRSRUZKNSA-N 1 0 382.504 3.913 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)CC2 ZINC001173626262 906575615 /nfs/dbraw/zinc/57/56/15/906575615.db2.gz IFAAYKCHOZFUII-QKWOESADSA-N 1 0 382.504 3.913 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@@H](CC(=O)OCC)C1)[C@H]2CC ZINC001173639123 906589856 /nfs/dbraw/zinc/58/98/56/906589856.db2.gz AXFWIQSLLHURJJ-GHDARCQNSA-N 1 0 376.541 3.530 20 30 GHEDRO CC(C)C[C@H]([NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1)C(=O)NO ZINC001173705698 906655357 /nfs/dbraw/zinc/65/53/57/906655357.db2.gz VLXKKONORUHGTO-UNMCSNQZSA-N 1 0 382.504 3.633 20 30 GHEDRO [NH3+]C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629656449 906933446 /nfs/dbraw/zinc/93/34/46/906933446.db2.gz OTCHMFNOIQENQL-NEPJUHHUSA-N 1 0 388.327 3.726 20 30 GHEDRO C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181495136 907012908 /nfs/dbraw/zinc/01/29/08/907012908.db2.gz WHSSISHKJOSCAX-ICSRJNTNSA-N 1 0 383.536 3.877 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181563319 907027506 /nfs/dbraw/zinc/02/75/06/907027506.db2.gz USNXWBLXMDHWJH-SFHVURJKSA-N 1 0 379.504 3.648 20 30 GHEDRO C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000181900638 907098086 /nfs/dbraw/zinc/09/80/86/907098086.db2.gz HTEQUUGSRMPYIR-QGZVFWFLSA-N 1 0 387.487 3.923 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 ZINC000182008748 907114890 /nfs/dbraw/zinc/11/48/90/907114890.db2.gz HBASVVQIZRFUFB-RHSMWYFYSA-N 1 0 394.393 3.698 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c(C#N)c1C ZINC000183596327 907417551 /nfs/dbraw/zinc/41/75/51/907417551.db2.gz DWIJICSQNYRRTD-CQSZACIVSA-N 1 0 379.489 3.712 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 ZINC000192242420 907558538 /nfs/dbraw/zinc/55/85/38/907558538.db2.gz OMEOMVSFYZSGJU-NRFANRHFSA-N 1 0 389.430 3.848 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001175632031 907651095 /nfs/dbraw/zinc/65/10/95/907651095.db2.gz XAHTVIVOQAZLKP-HTAPYJJXSA-N 1 0 393.572 3.694 20 30 GHEDRO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC001176038528 907897941 /nfs/dbraw/zinc/89/79/41/907897941.db2.gz QDORFFSYTZQLQG-MLUDITRGSA-N 1 0 389.499 3.657 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cccc(OC(F)(F)F)c3)cc2C#N)CC1 ZINC001176541045 908163840 /nfs/dbraw/zinc/16/38/40/908163840.db2.gz PLDNVQJVMPWFHU-UHFFFAOYSA-N 1 0 376.382 3.952 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000633064316 908203055 /nfs/dbraw/zinc/20/30/55/908203055.db2.gz ZRXNMUMLNUZVKU-UHFFFAOYSA-N 1 0 381.442 3.573 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001177548980 908639381 /nfs/dbraw/zinc/63/93/81/908639381.db2.gz ZKQKCRLUXNKTKO-MRXNPFEDSA-N 1 0 379.342 3.671 20 30 GHEDRO C[N@H+]1Cc2c(NC(=O)Cc3ccnc(C#N)c3)cccc2[C@H](c2ccccc2)C1 ZINC001177670290 908690665 /nfs/dbraw/zinc/69/06/65/908690665.db2.gz BGEUAKRPGBREGH-NRFANRHFSA-N 1 0 382.467 3.712 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000192093311 908720389 /nfs/dbraw/zinc/72/03/89/908720389.db2.gz SZDBLESJCJLVQD-GESALYCCSA-N 1 0 387.842 3.798 20 30 GHEDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)C#Cc4cccnc4)c4ccccc43)oc-2c1 ZINC001177778385 908731647 /nfs/dbraw/zinc/73/16/47/908731647.db2.gz WIRGBQKUZORLLP-UHFFFAOYSA-N 1 0 390.402 3.950 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000195614931 909026453 /nfs/dbraw/zinc/02/64/53/909026453.db2.gz CTRIJEDKXJYUAX-QGZVFWFLSA-N 1 0 388.581 3.601 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC001178549674 909103364 /nfs/dbraw/zinc/10/33/64/909103364.db2.gz MPCBBHCRXUIPGD-UHFFFAOYSA-N 1 0 377.410 3.898 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001178723240 909185815 /nfs/dbraw/zinc/18/58/15/909185815.db2.gz CHHICHVYOGVLHF-CZUORRHYSA-N 1 0 388.393 3.679 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001178696626 909195975 /nfs/dbraw/zinc/19/59/75/909195975.db2.gz WWPXTVIBEMOLLL-PKTZIBPZSA-N 1 0 387.527 3.829 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001178921720 909317876 /nfs/dbraw/zinc/31/78/76/909317876.db2.gz FWVLOSUNGPVENQ-MISYRCLQSA-N 1 0 398.551 3.749 20 30 GHEDRO CN1CC[C@H](NC(=O)NCc2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000245547442 909726981 /nfs/dbraw/zinc/72/69/81/909726981.db2.gz DYJTXBXGLSPFDG-RBUKOAKNSA-N 1 0 386.858 3.595 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000366374236 921547507 /nfs/dbraw/zinc/54/75/07/921547507.db2.gz CVDWZRWILXBLEY-UHFFFAOYSA-N 1 0 396.535 3.639 20 30 GHEDRO Cc1ccccc1O[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001180527985 910202064 /nfs/dbraw/zinc/20/20/64/910202064.db2.gz SYLJCIUFSCQLII-NYVOZVTQSA-N 1 0 391.515 3.933 20 30 GHEDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000639030777 910295723 /nfs/dbraw/zinc/29/57/23/910295723.db2.gz YHTZICBZZQVUFB-HAQNSBGRSA-N 1 0 386.311 3.976 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1OCCCC#N ZINC000270173771 910469156 /nfs/dbraw/zinc/46/91/56/910469156.db2.gz VWQMUINVPMDSHF-RKOGDMNLSA-N 1 0 386.517 3.966 20 30 GHEDRO N#CC1(CC(=O)N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CCCCC1 ZINC001181380770 910736732 /nfs/dbraw/zinc/73/67/32/910736732.db2.gz GFRWBEGPIJNOMC-MXXWWZHRSA-N 1 0 385.511 3.954 20 30 GHEDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CC3(C#N)CCCCC3)cc2)CC1 ZINC001181380660 910736818 /nfs/dbraw/zinc/73/68/18/910736818.db2.gz BOFODKKYYXOESP-LMDPOFIKSA-N 1 0 396.535 3.573 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000271232897 910827736 /nfs/dbraw/zinc/82/77/36/910827736.db2.gz ZFHJSYHBXQDODP-OAQYLSRUSA-N 1 0 398.938 3.968 20 30 GHEDRO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](CCO[C@H](C)C#N)C3)cc1 ZINC000801920472 921625387 /nfs/dbraw/zinc/62/53/87/921625387.db2.gz QCCRIRYEXQSFDN-QGZVFWFLSA-N 1 0 378.476 3.926 20 30 GHEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271687000 911012921 /nfs/dbraw/zinc/01/29/21/911012921.db2.gz QPHRICUNEAKZDS-OXQOHEQNSA-N 1 0 393.487 3.590 20 30 GHEDRO COc1ccc(C#CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)cc1 ZINC001182049254 911158623 /nfs/dbraw/zinc/15/86/23/911158623.db2.gz BWXCTLGPHCNABT-BRLSKQCNSA-N 1 0 388.511 3.701 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNC(=O)CCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001182348260 911523778 /nfs/dbraw/zinc/52/37/78/911523778.db2.gz OYVUMIUQJQKZIZ-NRFANRHFSA-N 1 0 399.922 3.580 20 30 GHEDRO Cc1cccc(N(C(=O)[C@H](C)c2ccc(C#N)cc2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001182792752 912025461 /nfs/dbraw/zinc/02/54/61/912025461.db2.gz UNTXRAYOAHQPAK-RVSNTGDXSA-N 1 0 389.499 3.524 20 30 GHEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000284995158 912110419 /nfs/dbraw/zinc/11/04/19/912110419.db2.gz GPUHIGWOCOREGL-LJQANCHMSA-N 1 0 379.460 3.732 20 30 GHEDRO [NH2+]=C(NCc1cccc(Br)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303779339 915124253 /nfs/dbraw/zinc/12/42/53/915124253.db2.gz KJKSNQNEQVCVIW-UHFFFAOYSA-N 1 0 376.254 3.537 20 30 GHEDRO CCc1nnc(N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(C#N)c1CC ZINC001187403490 915224737 /nfs/dbraw/zinc/22/47/37/915224737.db2.gz CWHYXWVYJYGMLK-LJQANCHMSA-N 1 0 377.536 3.964 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(-n3cccn3)cc2)c1 ZINC000303880515 915295322 /nfs/dbraw/zinc/29/53/22/915295322.db2.gz HFXGIAOQVAIGDG-UHFFFAOYSA-N 1 0 379.464 3.597 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000303960547 915341373 /nfs/dbraw/zinc/34/13/73/915341373.db2.gz ZHKQCLCKVHHXGX-KRWDZBQOSA-N 1 0 384.426 3.828 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1Cl ZINC000303973401 915344567 /nfs/dbraw/zinc/34/45/67/915344567.db2.gz GTXQQYDVALSHPD-INIZCTEOSA-N 1 0 376.888 3.814 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000303984287 915348798 /nfs/dbraw/zinc/34/87/98/915348798.db2.gz RZERCOVXMHMODQ-FQEVSTJZSA-N 1 0 386.927 3.703 20 30 GHEDRO CCOCc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000304513175 915526425 /nfs/dbraw/zinc/52/64/25/915526425.db2.gz XTIAHQIGGKVUSX-UHFFFAOYSA-N 1 0 381.398 3.726 20 30 GHEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)N(C)C)cc1OC ZINC000304653582 915587043 /nfs/dbraw/zinc/58/70/43/915587043.db2.gz HNYONTHIQJGSIS-FQEVSTJZSA-N 1 0 396.535 3.612 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2OC)C(=S)NC2CCC2)cc1 ZINC000292382768 915646827 /nfs/dbraw/zinc/64/68/27/915646827.db2.gz URIQFHMMQBLCFH-UHFFFAOYSA-O 1 0 383.537 3.934 20 30 GHEDRO COc1cccc([C@@H](O)CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304740615 915668679 /nfs/dbraw/zinc/66/86/79/915668679.db2.gz BUPMWPHVLWZLTD-GTNSWQLSSA-N 1 0 382.291 3.701 20 30 GHEDRO CC(C)C[C@H](C)Oc1cc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)ccn1 ZINC000304753040 915670413 /nfs/dbraw/zinc/67/04/13/915670413.db2.gz KTEILLHTEJNBKA-INIZCTEOSA-N 1 0 398.507 3.983 20 30 GHEDRO [NH2+]=C(NCc1cccc(COC2CCOCC2)c1)Nc1ccc2c(c1)CCC2 ZINC000304753044 915670492 /nfs/dbraw/zinc/67/04/92/915670492.db2.gz KTIBRGUEYXOVFT-UHFFFAOYSA-N 1 0 379.504 3.798 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCOc2ccccc2C(F)(F)F)cc1OC ZINC000304758448 915673973 /nfs/dbraw/zinc/67/39/73/915673973.db2.gz QAEXTKPNXSPBMS-UHFFFAOYSA-N 1 0 383.370 3.528 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cn(-c3ccc(OC)cc3)nn2)cc1 ZINC000304931607 915792628 /nfs/dbraw/zinc/79/26/28/915792628.db2.gz DBAKZNZXTCVKGE-OAHLLOKOSA-N 1 0 378.480 3.716 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c(OC[C@@H]2CCCO2)c1 ZINC000305025182 915838186 /nfs/dbraw/zinc/83/81/86/915838186.db2.gz WVMKCOLWPHVQFA-NRFANRHFSA-N 1 0 379.504 3.968 20 30 GHEDRO [NH2+]=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305694401 916240664 /nfs/dbraw/zinc/24/06/64/916240664.db2.gz RHFLAGONPLFLSD-CQSZACIVSA-N 1 0 391.752 3.838 20 30 GHEDRO Cc1ccc(Br)cc1NC(=O)CCNC(=[NH2+])NC1CCCCCC1 ZINC000305740720 916317333 /nfs/dbraw/zinc/31/73/33/916317333.db2.gz DJOJYVZZQFMQOY-UHFFFAOYSA-N 1 0 395.345 3.713 20 30 GHEDRO Cn1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(-c2ccccc2)n1 ZINC000305825849 916459761 /nfs/dbraw/zinc/45/97/61/916459761.db2.gz QYYSGLMSFNHBIA-UHFFFAOYSA-N 1 0 389.381 3.913 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc(OC)c1OC ZINC000775306251 916888920 /nfs/dbraw/zinc/88/89/20/916888920.db2.gz USAJJKZIMNGKIK-UHFFFAOYSA-N 1 0 380.488 3.631 20 30 GHEDRO CC(=O)c1ccc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC001189780250 916915296 /nfs/dbraw/zinc/91/52/96/916915296.db2.gz NMBGQRGFEGFRCM-UHFFFAOYSA-N 1 0 397.478 3.529 20 30 GHEDRO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CCc1ccccc1Br)CC2 ZINC001275756671 916937014 /nfs/dbraw/zinc/93/70/14/916937014.db2.gz LKDMWENHCWJJGV-QGZVFWFLSA-N 1 0 391.353 3.786 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)c1ccccc1 ZINC000775398288 917442535 /nfs/dbraw/zinc/44/25/35/917442535.db2.gz FSKNFWREJCKDGP-FXAWDEMLSA-N 1 0 380.488 3.625 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295822055 917524394 /nfs/dbraw/zinc/52/43/94/917524394.db2.gz AIFBIQMBMPUMKW-NHCUHLMSSA-N 1 0 395.551 3.664 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000796469064 917578946 /nfs/dbraw/zinc/57/89/46/917578946.db2.gz VKLFVRSSGBFRTP-QFIPXVFZSA-N 1 0 377.488 3.891 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295970980 917679543 /nfs/dbraw/zinc/67/95/43/917679543.db2.gz NVBMGMGXSAEQIW-NRSPTQNISA-N 1 0 395.551 3.805 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC2)c(F)c1 ZINC000796517216 917953255 /nfs/dbraw/zinc/95/32/55/917953255.db2.gz UGOWUPRFLQOTBB-UHFFFAOYSA-N 1 0 394.402 3.553 20 30 GHEDRO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]3CCCC[C@H]32)nn1 ZINC000653577645 918325901 /nfs/dbraw/zinc/32/59/01/918325901.db2.gz XIWRCVVVRGTUHB-CYPWRKRPSA-N 1 0 387.572 3.538 20 30 GHEDRO C[C@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCC12CCOCC2 ZINC000363792655 918867929 /nfs/dbraw/zinc/86/79/29/918867929.db2.gz FZQKCXDVVIUZQE-OAHLLOKOSA-N 1 0 387.549 3.718 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(COc3ccccc3C#N)o2)([NH+](C)C)C1 ZINC000115672445 919462775 /nfs/dbraw/zinc/46/27/75/919462775.db2.gz CLUNLBADDZVGTL-GAJHUEQPSA-N 1 0 395.503 3.971 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000119443351 919630970 /nfs/dbraw/zinc/63/09/70/919630970.db2.gz SOLRFWUXUKBDBD-AWEZNQCLSA-N 1 0 394.924 3.745 20 30 GHEDRO COc1cccc([C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCCC2)c1 ZINC000119809304 919658237 /nfs/dbraw/zinc/65/82/37/919658237.db2.gz XBSOCNBTYOHXHK-DEOSSOPVSA-N 1 0 392.547 3.972 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000800790643 920464170 /nfs/dbraw/zinc/46/41/70/920464170.db2.gz PTDVBFNOUFEONT-BKFIETJDSA-N 1 0 393.531 3.891 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000298462046 920563731 /nfs/dbraw/zinc/56/37/31/920563731.db2.gz OFDMGKDNMHDJOG-QESAQDPVSA-N 1 0 380.536 3.765 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000800993268 920675020 /nfs/dbraw/zinc/67/50/20/920675020.db2.gz JHLRISVDOLJOFS-SIKLNZKXSA-N 1 0 376.500 3.583 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC(C[N@@H+](C)CCCC)CC2)cc1 ZINC000298733502 920864740 /nfs/dbraw/zinc/86/47/40/920864740.db2.gz SRPQSKLYWLIZTE-UHFFFAOYSA-N 1 0 386.540 3.578 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CCCO)c2ccccc2)sc2c1CCC2 ZINC000298882624 921024017 /nfs/dbraw/zinc/02/40/17/921024017.db2.gz KJCPTCLNQIXVSM-GOSISDBHSA-N 1 0 383.517 3.540 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000368250029 922552939 /nfs/dbraw/zinc/55/29/39/922552939.db2.gz AYVOJKNHUSXSOF-AWEZNQCLSA-N 1 0 381.339 3.519 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000902888094 922581028 /nfs/dbraw/zinc/58/10/28/922581028.db2.gz PZYZCOWJBCGOOM-JOCHJYFZSA-N 1 0 397.544 3.725 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@]1(C)CCCCO1 ZINC000903094154 922767007 /nfs/dbraw/zinc/76/70/07/922767007.db2.gz NAVARUJVBMEBQG-VWNXMTODSA-N 1 0 399.579 3.772 20 30 GHEDRO C=CCC[C@@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000368738778 922836450 /nfs/dbraw/zinc/83/64/50/922836450.db2.gz CDTUVJGJNHQROS-JOCHJYFZSA-N 1 0 383.580 3.613 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1OCCCC#N ZINC000369030711 923066450 /nfs/dbraw/zinc/06/64/50/923066450.db2.gz MNNUDOWGAVKJEG-UHFFFAOYSA-N 1 0 398.482 3.624 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000803856987 923321930 /nfs/dbraw/zinc/32/19/30/923321930.db2.gz VVVYRRPFBXIMCV-UXHICEINSA-N 1 0 399.535 3.746 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(O)c1 ZINC000748285057 923549426 /nfs/dbraw/zinc/54/94/26/923549426.db2.gz GXMJYAVCOODJNQ-LSPPGFKNSA-N 1 0 397.519 3.953 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC000370072354 923842427 /nfs/dbraw/zinc/84/24/27/923842427.db2.gz LBCZWVHACRYEAY-HXUWFJFHSA-N 1 0 385.471 3.913 20 30 GHEDRO N#CC1(NC(=O)c2cc(F)c(F)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000371545465 924653649 /nfs/dbraw/zinc/65/36/49/924653649.db2.gz VRMIPOGKUJTIJW-UHFFFAOYSA-N 1 0 389.833 3.906 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)CC[NH+](C)C ZINC000409608518 924812055 /nfs/dbraw/zinc/81/20/55/924812055.db2.gz PGFORULZOIENCM-CYBMUJFWSA-N 1 0 386.309 3.626 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679341004 925101476 /nfs/dbraw/zinc/10/14/76/925101476.db2.gz IRMYGJOUQBZVLV-RBUKOAKNSA-N 1 0 379.342 3.909 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)cc1OCCCC#N ZINC000372297300 925318580 /nfs/dbraw/zinc/31/85/80/925318580.db2.gz IDBXWIVWWBVNNB-HXUWFJFHSA-N 1 0 393.487 3.965 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410416673 925619806 /nfs/dbraw/zinc/61/98/06/925619806.db2.gz DQVZNPUQSDCLRQ-UHFFFAOYSA-N 1 0 384.480 3.525 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000411451642 926414611 /nfs/dbraw/zinc/41/46/11/926414611.db2.gz HYOQBGHRLVURAK-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(CCCn3ccnc3)CC2)cc1Cl ZINC000411510453 926472270 /nfs/dbraw/zinc/47/22/70/926472270.db2.gz YOYGKVOOHMYRPG-UHFFFAOYSA-N 1 0 399.926 3.929 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1)CCC2 ZINC000411644726 926589934 /nfs/dbraw/zinc/58/99/34/926589934.db2.gz KGQFAQIMAGPRDF-XLIONFOSSA-N 1 0 381.501 3.557 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccncc1F ZINC000411695183 926656939 /nfs/dbraw/zinc/65/69/39/926656939.db2.gz OORYNUKJOCINLV-STQMWFEESA-N 1 0 386.496 3.958 20 30 GHEDRO C#Cc1cccc(NC(=S)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000726443954 926666574 /nfs/dbraw/zinc/66/65/74/926666574.db2.gz KMYFQTJBOIGSHR-OAQYLSRUSA-N 1 0 379.529 3.800 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000726465131 926683660 /nfs/dbraw/zinc/68/36/60/926683660.db2.gz JYITUAGRCVGTNT-UHFFFAOYSA-N 1 0 397.935 3.844 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000726470833 926688201 /nfs/dbraw/zinc/68/82/01/926688201.db2.gz VQIADYMDQXVGNO-UHFFFAOYSA-N 1 0 385.924 3.558 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)c2)CC1 ZINC000726478545 926694594 /nfs/dbraw/zinc/69/45/94/926694594.db2.gz NEOZWFCLINNOEV-UHFFFAOYSA-N 1 0 399.951 3.768 20 30 GHEDRO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC[C@H]3CC3CCCCC3)C2=O)cc1 ZINC000726589855 926747552 /nfs/dbraw/zinc/74/75/52/926747552.db2.gz PVOXDTPXJITKNW-NRFANRHFSA-N 1 0 394.519 3.715 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412010035 927006329 /nfs/dbraw/zinc/00/63/29/927006329.db2.gz HQANJCGKEFOUOV-UHFFFAOYSA-N 1 0 386.561 3.680 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ncc(C(F)(F)F)cc3Cl)C2)C1=O ZINC001276198481 927151666 /nfs/dbraw/zinc/15/16/66/927151666.db2.gz KQDRGATZWSEZTM-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000749584267 927202292 /nfs/dbraw/zinc/20/22/92/927202292.db2.gz QMUWFMKOGVLKSP-CVDCTZTESA-N 1 0 393.506 3.881 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)C1C=CC(=NC(C)=O)C=C1)C(=S)N[C@H](C)CC ZINC000749890489 927332639 /nfs/dbraw/zinc/33/26/39/927332639.db2.gz NUDLOEYUOKUKKZ-OAHLLOKOSA-O 1 0 398.552 3.906 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000412370774 927386526 /nfs/dbraw/zinc/38/65/26/927386526.db2.gz PJNUDNYBBPEKND-JLLPCOHGSA-N 1 0 385.511 3.642 20 30 GHEDRO Cc1[nH]c2ccccc2c1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374864858 927619284 /nfs/dbraw/zinc/61/92/84/927619284.db2.gz OTUZEVOHSFBUFJ-UHFFFAOYSA-N 1 0 386.499 3.693 20 30 GHEDRO COc1cccc([C@H](C)CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000374877134 927641244 /nfs/dbraw/zinc/64/12/44/927641244.db2.gz DLGJCIVUTZMUQR-LJQANCHMSA-N 1 0 391.515 3.863 20 30 GHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000375237237 928079735 /nfs/dbraw/zinc/07/97/35/928079735.db2.gz MWIYYRKVIGXXFJ-UHFFFAOYSA-N 1 0 388.471 3.784 20 30 GHEDRO COc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)[NH+](C)C)cc1OC ZINC000413030842 928121988 /nfs/dbraw/zinc/12/19/88/928121988.db2.gz WINVJVYGQZRMAV-GOSISDBHSA-N 1 0 384.436 3.507 20 30 GHEDRO C=CCN1C(=O)[C@@]2(CC[N@@H+](Cc3occc3Br)C2)c2ccccc21 ZINC001276248467 928290799 /nfs/dbraw/zinc/29/07/99/928290799.db2.gz KQTGOTJIGAQDED-LJQANCHMSA-N 1 0 387.277 3.718 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000467025135 928605235 /nfs/dbraw/zinc/60/52/35/928605235.db2.gz RJRKFVLXGNGCDP-XLIONFOSSA-N 1 0 380.488 3.653 20 30 GHEDRO COCC[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000467266392 928892021 /nfs/dbraw/zinc/89/20/21/928892021.db2.gz QTKQJAVSAVCAMM-MRXNPFEDSA-N 1 0 389.565 3.966 20 30 GHEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000467446448 929081421 /nfs/dbraw/zinc/08/14/21/929081421.db2.gz WMGCFMIPFYINOT-SFHVURJKSA-N 1 0 397.544 3.626 20 30 GHEDRO CCOC(=O)[C@@H](CCC(C)(C)C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000544364867 929094731 /nfs/dbraw/zinc/09/47/31/929094731.db2.gz AUWQFCGITDYSMG-OAQYLSRUSA-N 1 0 385.552 3.870 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1c(C)nn(C)c1C ZINC000544417561 929153686 /nfs/dbraw/zinc/15/36/86/929153686.db2.gz WCYMMNLQIUFBQQ-GOSISDBHSA-N 1 0 387.915 3.678 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](CCCc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001276276422 929198611 /nfs/dbraw/zinc/19/86/11/929198611.db2.gz NVXMWZZJGANODO-FQEVSTJZSA-N 1 0 395.330 3.953 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000467735639 929352911 /nfs/dbraw/zinc/35/29/11/929352911.db2.gz ZJUUBQGCHZTVBJ-GOSISDBHSA-N 1 0 391.284 3.764 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@@H+]1C1CC1 ZINC000753918498 929591531 /nfs/dbraw/zinc/59/15/31/929591531.db2.gz NJMYUYPTKQUGTA-WMLDXEAASA-N 1 0 380.517 3.711 20 30 GHEDRO FC(F)(F)c1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc(C(F)(F)F)c1 ZINC000753934718 929599982 /nfs/dbraw/zinc/59/99/82/929599982.db2.gz JTMPJPHPKBTMSX-BETUJISGSA-N 1 0 378.320 3.918 20 30 GHEDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1O ZINC000757285404 929686255 /nfs/dbraw/zinc/68/62/55/929686255.db2.gz JYUDVHWRLRSGDM-LJQANCHMSA-N 1 0 390.487 3.611 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000469234925 929720296 /nfs/dbraw/zinc/72/02/96/929720296.db2.gz QEFYEFJXENAJJO-TZIWHRDSSA-N 1 0 393.487 3.986 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000546002228 929763353 /nfs/dbraw/zinc/76/33/53/929763353.db2.gz DQYDDRPSMLLMFT-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Cl)c(C#N)c3)CC2)c1 ZINC000757863632 929830566 /nfs/dbraw/zinc/83/05/66/929830566.db2.gz FHMNYAXFUCCOPS-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C[N@@H+]1CCC[C@H](COC(=O)CSCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000757898866 929846191 /nfs/dbraw/zinc/84/61/91/929846191.db2.gz MMPNBPYMJQXACK-RHSMWYFYSA-N 1 0 386.439 3.888 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000469494690 929939094 /nfs/dbraw/zinc/93/90/94/929939094.db2.gz WQROGVLOABXPFB-SFHVURJKSA-N 1 0 375.394 3.804 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(COc2ccccc2C#N)n1 ZINC000546304942 930040274 /nfs/dbraw/zinc/04/02/74/930040274.db2.gz GUQUBWAHWYLUBZ-UHFFFAOYSA-N 1 0 392.459 3.908 20 30 GHEDRO COc1cc(C#N)ccc1OCc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000546381548 930107428 /nfs/dbraw/zinc/10/74/28/930107428.db2.gz ZRQLDWJLMHLRIE-UHFFFAOYSA-N 1 0 390.443 3.792 20 30 GHEDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H]1C ZINC000469863659 930215530 /nfs/dbraw/zinc/21/55/30/930215530.db2.gz PODZHPDYORNGFP-UZLBHIALSA-N 1 0 394.471 3.529 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1ccc(CC)cc1 ZINC000759048309 930256765 /nfs/dbraw/zinc/25/67/65/930256765.db2.gz ANGNGEKCZSIVFV-UHFFFAOYSA-O 1 0 387.912 3.633 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1oc(C)nc1C)[n+]1ccc(C(CC)CC)cc1 ZINC000759051865 930257775 /nfs/dbraw/zinc/25/77/75/930257775.db2.gz RWTWSOVFTJUALD-UHFFFAOYSA-O 1 0 384.525 3.917 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc2c(c1)CCCC2 ZINC000759055107 930259279 /nfs/dbraw/zinc/25/92/79/930259279.db2.gz RZPDEBVRPYEPCJ-UHFFFAOYSA-O 1 0 377.533 3.904 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000547400565 930983057 /nfs/dbraw/zinc/98/30/57/930983057.db2.gz YHYIUDQUWDRTMY-UHFFFAOYSA-N 1 0 377.488 3.695 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(C#N)cc1OC ZINC000547416680 930998112 /nfs/dbraw/zinc/99/81/12/930998112.db2.gz NLQMBHNRDFCUIG-UHFFFAOYSA-N 1 0 386.418 3.695 20 30 GHEDRO CCOC(=O)CCCCC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471001831 931087425 /nfs/dbraw/zinc/08/74/25/931087425.db2.gz SWVQPTUILHLJDB-IBGZPJMESA-N 1 0 377.916 3.646 20 30 GHEDRO N#CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000557571250 931550500 /nfs/dbraw/zinc/55/05/00/931550500.db2.gz HETCYEOVNKCYEF-OAQYLSRUSA-N 1 0 390.487 3.777 20 30 GHEDRO Cc1noc(C)c1CC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925004728 931609346 /nfs/dbraw/zinc/60/93/46/931609346.db2.gz UOBLWVPFOOXVRY-HNNXBMFYSA-N 1 0 390.528 3.743 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000925051885 931624547 /nfs/dbraw/zinc/62/45/47/931624547.db2.gz MYYWMKGYBMBQQS-UHFFFAOYSA-N 1 0 389.540 3.657 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(-c4ccncc4)s3)C2)c(F)c1 ZINC000557795202 931692870 /nfs/dbraw/zinc/69/28/70/931692870.db2.gz GHVSAACEVYSWBI-QGZVFWFLSA-N 1 0 393.491 3.974 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000925243362 931715300 /nfs/dbraw/zinc/71/53/00/931715300.db2.gz KGZFHLRKBHTRQK-KURKYZTESA-N 1 0 390.572 3.521 20 30 GHEDRO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1=S ZINC000777557467 931733087 /nfs/dbraw/zinc/73/30/87/931733087.db2.gz QLLAPVFQEDNQDN-QFIPXVFZSA-N 1 0 390.512 3.912 20 30 GHEDRO C=CCOc1ccccc1C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000557975934 931782842 /nfs/dbraw/zinc/78/28/42/931782842.db2.gz JNNOZABLHNYVIB-UHFFFAOYSA-N 1 0 381.476 3.784 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000784336293 931861357 /nfs/dbraw/zinc/86/13/57/931861357.db2.gz XJKPGVNXLMAHSM-UHFFFAOYSA-N 1 0 397.862 3.791 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)nc1 ZINC000558165589 931867829 /nfs/dbraw/zinc/86/78/29/931867829.db2.gz RUNCOASMTJACHD-IBGZPJMESA-N 1 0 389.908 3.511 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1 ZINC000558257468 931907192 /nfs/dbraw/zinc/90/71/92/931907192.db2.gz NKGIKKLDONACQX-QZTJIDSGSA-N 1 0 389.546 3.514 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)C[C@H]21 ZINC000784498682 931914600 /nfs/dbraw/zinc/91/46/00/931914600.db2.gz PTWKEFBETYXYAM-MISYRCLQSA-N 1 0 385.508 3.562 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000784868467 932015600 /nfs/dbraw/zinc/01/56/00/932015600.db2.gz XYDPCQMZDRLKMG-OAHLLOKOSA-N 1 0 378.350 3.615 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1cccs1 ZINC000558536619 932060548 /nfs/dbraw/zinc/06/05/48/932060548.db2.gz NKOULHCERNOXBB-YLJYHZDGSA-N 1 0 394.544 3.991 20 30 GHEDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc(CCC#N)cc1 ZINC000926193570 932078939 /nfs/dbraw/zinc/07/89/39/932078939.db2.gz ODQIAJBALLNUIO-QGZVFWFLSA-N 1 0 383.521 3.551 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CC12CCOCC2 ZINC000926228059 932090639 /nfs/dbraw/zinc/09/06/39/932090639.db2.gz KXVJKXIWCLVCTJ-ZWKOTPCHSA-N 1 0 391.556 3.712 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(-n2cnnc2)c1 ZINC000926236813 932093791 /nfs/dbraw/zinc/09/37/91/932093791.db2.gz PPCAGOGBOYRLLQ-YQHFOJDRSA-N 1 0 388.475 3.575 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000558676698 932159222 /nfs/dbraw/zinc/15/92/22/932159222.db2.gz WBXQRADZUIPAEI-UHFFFAOYSA-N 1 0 397.567 3.908 20 30 GHEDRO CCc1nnc(CN[C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000926461793 932193757 /nfs/dbraw/zinc/19/37/57/932193757.db2.gz QSEDXTBOBUWDJW-CQSZACIVSA-N 1 0 393.557 3.510 20 30 GHEDRO CCc1nc(C)c(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000926477469 932199040 /nfs/dbraw/zinc/19/90/40/932199040.db2.gz RHHLKDCWLRTNNZ-HNNXBMFYSA-N 1 0 390.528 3.955 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)Cc1ccccn1 ZINC000926668714 932267383 /nfs/dbraw/zinc/26/73/83/932267383.db2.gz KFWXXRAGNXOLMQ-ZWKOTPCHSA-N 1 0 386.540 3.922 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N ZINC000926963284 932365130 /nfs/dbraw/zinc/36/51/30/932365130.db2.gz CMRDCEHBOGERGD-NJDAHSKKSA-N 1 0 399.535 3.761 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)cc1C#N ZINC000926966034 932366015 /nfs/dbraw/zinc/36/60/15/932366015.db2.gz VCSRVAOZBFYTPW-LJQANCHMSA-N 1 0 387.405 3.992 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927158756 932436303 /nfs/dbraw/zinc/43/63/03/932436303.db2.gz JCUINKKENGVHIX-QZTJIDSGSA-N 1 0 391.556 3.997 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000798414806 932638740 /nfs/dbraw/zinc/63/87/40/932638740.db2.gz UUCVONPQZYJMDQ-GGAORHGYSA-N 1 0 378.520 3.910 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](c3ccncc3)C1)CCCC2 ZINC000559641424 932773239 /nfs/dbraw/zinc/77/32/39/932773239.db2.gz XEDYBWYHNCGWCI-INIZCTEOSA-N 1 0 380.517 3.712 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)O[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000798849789 932797411 /nfs/dbraw/zinc/79/74/11/932797411.db2.gz AVVKMPYIVPMYKA-OAQYLSRUSA-N 1 0 386.455 3.565 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000799010514 932850274 /nfs/dbraw/zinc/85/02/74/932850274.db2.gz FXMOOMPEXAJBIL-XMMPIXPASA-N 1 0 394.515 3.902 20 30 GHEDRO C#CCN1CCC[C@H]1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000799026473 932855421 /nfs/dbraw/zinc/85/54/21/932855421.db2.gz LCPWYRHEKCAVFH-KRWDZBQOSA-N 1 0 382.401 3.590 20 30 GHEDRO Cc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000799420204 932997512 /nfs/dbraw/zinc/99/75/12/932997512.db2.gz NGLWCFAFQJOKDT-UHFFFAOYSA-N 1 0 391.515 3.668 20 30 GHEDRO Cn1c(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)nc2cc(Cl)ccc21 ZINC000560548662 933333791 /nfs/dbraw/zinc/33/37/91/933333791.db2.gz RCAYXAOBFDXSNK-UHFFFAOYSA-N 1 0 379.895 3.857 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C#N)ccc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000560629338 933405100 /nfs/dbraw/zinc/40/51/00/933405100.db2.gz LFQXSTNZUSBENZ-NHCUHLMSSA-N 1 0 395.890 3.928 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2c(F)cccc2Cl)c(-c2ccncc2)n1 ZINC001116853590 933794843 /nfs/dbraw/zinc/79/48/43/933794843.db2.gz JNEQWRRRAOXYKY-UHFFFAOYSA-N 1 0 383.858 3.984 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000561199812 933950817 /nfs/dbraw/zinc/95/08/17/933950817.db2.gz SGEBFGVWAZMIEH-MBSDFSHPSA-N 1 0 387.483 3.905 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000930543087 934090902 /nfs/dbraw/zinc/09/09/02/934090902.db2.gz KQSSVWIMSWNKIF-UHFFFAOYSA-N 1 0 386.496 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)CC2(CC#N)CC2)CC1 ZINC000930806327 934252484 /nfs/dbraw/zinc/25/24/84/934252484.db2.gz OOFIBLVEYOLNMD-UHFFFAOYSA-N 1 0 384.524 3.977 20 30 GHEDRO N#CCOc1ccc(NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC001119277786 934323696 /nfs/dbraw/zinc/32/36/96/934323696.db2.gz BQDBEMIDFAMCKA-HXUWFJFHSA-N 1 0 391.475 3.517 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)Nc2c[nH+]ccc2-n2ccnc2C)cc1OC ZINC001119623809 934374458 /nfs/dbraw/zinc/37/44/58/934374458.db2.gz HSVIZYKSBOFWJS-SOFGYWHQSA-N 1 0 390.443 3.801 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000561753223 934421389 /nfs/dbraw/zinc/42/13/89/934421389.db2.gz GWMLHEDWSDTPLG-FDDCHVKYSA-N 1 0 389.499 3.836 20 30 GHEDRO N#CC1(CCCC[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCC1 ZINC000931334041 934508559 /nfs/dbraw/zinc/50/85/59/934508559.db2.gz ZYBBACFYWPTJBU-YVSFHVDLSA-N 1 0 383.458 3.582 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000931378687 934530675 /nfs/dbraw/zinc/53/06/75/934530675.db2.gz CRQIEODWEKXDMC-AWEZNQCLSA-N 1 0 391.313 3.516 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H]1C(F)(F)F ZINC000931614369 934644270 /nfs/dbraw/zinc/64/42/70/934644270.db2.gz ZBCAHKCXFYWWIA-SSHXOBKSSA-N 1 0 389.462 3.951 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC001121418172 934651630 /nfs/dbraw/zinc/65/16/30/934651630.db2.gz MPFAMLRANJUSLR-WSTZPKSXSA-N 1 0 380.540 3.712 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001121492070 934672748 /nfs/dbraw/zinc/67/27/48/934672748.db2.gz ADOYNTQPEJYBDA-YYIAUSFCSA-N 1 0 379.499 3.533 20 30 GHEDRO C=CCn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CCC(C)=C(C)C1 ZINC001121577552 934703390 /nfs/dbraw/zinc/70/33/90/934703390.db2.gz KUFYGHXLYMRFLV-UHFFFAOYSA-N 1 0 398.555 3.680 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2c2ccccc2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001121592719 934709495 /nfs/dbraw/zinc/70/94/95/934709495.db2.gz UTWQENBGLZWBDZ-BIRZXAFVSA-N 1 0 391.563 3.902 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1ccccc1F ZINC001121628604 934719408 /nfs/dbraw/zinc/71/94/08/934719408.db2.gz FPTUSUCBGFKNNU-FQEVSTJZSA-N 1 0 399.514 3.556 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ncccc23)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001121630767 934719958 /nfs/dbraw/zinc/71/99/58/934719958.db2.gz OUKPFWVHRRBDFZ-UHFFFAOYSA-N 1 0 393.539 3.564 20 30 GHEDRO C=CC1(CC(=O)Nc2ccc(CC[NH+](C)C)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC000931808423 934731409 /nfs/dbraw/zinc/73/14/09/934731409.db2.gz FUJKKQVNBUZPKN-UHFFFAOYSA-N 1 0 387.524 3.542 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001121731380 934749834 /nfs/dbraw/zinc/74/98/34/934749834.db2.gz UBJUWCNVDCYKHZ-ICSRJNTNSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC001121731289 934749839 /nfs/dbraw/zinc/74/98/39/934749839.db2.gz RIDCRKOAEKSWEJ-GGPKGHCWSA-N 1 0 387.572 3.652 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N(C)CC[NH+]2CCCCC2)n1Cc1ccccc1 ZINC001121999698 934801337 /nfs/dbraw/zinc/80/13/37/934801337.db2.gz QGXNNLNZWUQJLU-IBGZPJMESA-N 1 0 380.540 3.656 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2nnc(N3Cc4ccc(C#N)cc4C3)n2Cc2ccccc2)C1 ZINC001122076887 934816111 /nfs/dbraw/zinc/81/61/11/934816111.db2.gz ZDJUVQHKTNEGQP-NRFANRHFSA-N 1 0 398.514 3.527 20 30 GHEDRO C=C(C)Cn1c([C@@H](OC)C2CC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001122387740 934860175 /nfs/dbraw/zinc/86/01/75/934860175.db2.gz VFAUGSWBCZOFFW-IBGZPJMESA-N 1 0 375.561 3.508 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ncccc3c2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001122484716 934880869 /nfs/dbraw/zinc/88/08/69/934880869.db2.gz BOTSFSJOQNACSB-FPOVZHCZSA-N 1 0 388.519 3.600 20 30 GHEDRO C=C(C)Cn1c(Cc2cccc(O)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001122567626 934903136 /nfs/dbraw/zinc/90/31/36/934903136.db2.gz RBOKXPCPTYLNLA-UHFFFAOYSA-N 1 0 397.567 3.707 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122635937 934928769 /nfs/dbraw/zinc/92/87/69/934928769.db2.gz SIFBIPCZKWNKAX-UHFFFAOYSA-N 1 0 389.613 3.920 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)[C@@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122645446 934932218 /nfs/dbraw/zinc/93/22/18/934932218.db2.gz CAWQBAUHNCMNEV-OALUTQOASA-N 1 0 389.588 3.573 20 30 GHEDRO CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001122684896 934948278 /nfs/dbraw/zinc/94/82/78/934948278.db2.gz HQZLSJUUZXTSGM-WSTZPKSXSA-N 1 0 384.572 3.794 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001123846667 935306111 /nfs/dbraw/zinc/30/61/11/935306111.db2.gz CHVOCRFPNRXWAJ-UHFFFAOYSA-N 1 0 396.539 3.616 20 30 GHEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1ccc(Br)cc1C#N ZINC001124971458 935501079 /nfs/dbraw/zinc/50/10/79/935501079.db2.gz BBLAEHOWNSFYHI-UHFFFAOYSA-N 1 0 394.357 3.690 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001125249586 935558230 /nfs/dbraw/zinc/55/82/30/935558230.db2.gz LIZWVQDIPBVJIH-UHFFFAOYSA-N 1 0 376.504 3.958 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)cc1 ZINC000828048588 935569801 /nfs/dbraw/zinc/56/98/01/935569801.db2.gz PPPYZFDPPWTHNN-OAHLLOKOSA-N 1 0 392.434 3.940 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1ccncc1C#N ZINC000828837748 935724568 /nfs/dbraw/zinc/72/45/68/935724568.db2.gz KBFQRMSBPHAEKP-QGZVFWFLSA-N 1 0 379.460 3.563 20 30 GHEDRO COc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c(C#N)c1 ZINC001137701002 935732210 /nfs/dbraw/zinc/73/22/10/935732210.db2.gz IFWXVVORMUZQCW-UHFFFAOYSA-N 1 0 388.446 3.764 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)c(C#N)c1 ZINC001137701477 935732540 /nfs/dbraw/zinc/73/25/40/935732540.db2.gz YVHUBYGNFXWFIJ-UHFFFAOYSA-N 1 0 395.528 3.757 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)cc1 ZINC001137904046 935857649 /nfs/dbraw/zinc/85/76/49/935857649.db2.gz JQBHRKIZHLHELV-QFIPXVFZSA-N 1 0 385.471 3.769 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001137903973 935857715 /nfs/dbraw/zinc/85/77/15/935857715.db2.gz DYZGXXKEJSZFGG-DEOSSOPVSA-N 1 0 390.531 3.623 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(OC)ccc3F)C[C@@H]2c2ccccc2)C1=O ZINC001137992185 935913069 /nfs/dbraw/zinc/91/30/69/935913069.db2.gz LKLHKPNOKCOXAM-QPPBQGQZSA-N 1 0 394.490 3.838 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=S)Nc1ccc(C#N)cc1Br ZINC001201134597 1014987435 /nfs/dbraw/zinc/98/74/35/1014987435.db2.gz XEDUYKDWQZPMHM-ZDUSSCGKSA-N 1 0 395.370 3.728 20 30 GHEDRO C=C[C@@](C)(CC)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000468026499 1015163499 /nfs/dbraw/zinc/16/34/99/1015163499.db2.gz OTCGBOVOKRGGHC-IBGZPJMESA-N 1 0 383.458 3.676 20 30 GHEDRO CC(C)(C)[C@@]1(C[NH+]2CCC(C#N)(C(=O)[O-])CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001589726757 987913384 /nfs/dbraw/zinc/91/33/84/987913384.db2.gz PFCFIRUJTOOOAM-HSZRJFAPSA-N 1 0 383.536 3.615 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)s2)cc1 ZINC000468783952 1016027880 /nfs/dbraw/zinc/02/78/80/1016027880.db2.gz BHXGANQMSLDPNA-UKRRQHHQSA-N 1 0 398.532 3.729 20 30 GHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468973732 1016294981 /nfs/dbraw/zinc/29/49/81/1016294981.db2.gz NDYUYQJSVOZXQN-HXUWFJFHSA-N 1 0 388.515 3.848 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)cc1 ZINC000470718438 1016869870 /nfs/dbraw/zinc/86/98/70/1016869870.db2.gz RZJJZRFNSUWMNH-SANMLTNESA-N 1 0 399.538 3.823 20 30 GHEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470781082 1016886083 /nfs/dbraw/zinc/88/60/83/1016886083.db2.gz JLBJZCLZSDEOFZ-RPBOFIJWSA-N 1 0 385.511 3.626 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001227176662 1032309377 /nfs/dbraw/zinc/30/93/77/1032309377.db2.gz KVUKVNHVDPVVPM-HNNXBMFYSA-N 1 0 378.831 3.642 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001227178534 1032310021 /nfs/dbraw/zinc/31/00/21/1032310021.db2.gz YYDUKMKCEFFXDR-MOXGXCLJSA-N 1 0 386.879 3.748 20 30 GHEDRO N#CC1(NC(=O)C[C@H]([NH3+])C(c2ccccc2)c2ccccc2)Cc2ccccc2C1 ZINC001221367450 1032387149 /nfs/dbraw/zinc/38/71/49/1032387149.db2.gz RJXGORUSXFHNJG-QHCPKHFHSA-N 1 0 395.506 3.713 20 30 GHEDRO N#Cc1cc2ccc(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)cc2oc1=O ZINC001227383427 1032397733 /nfs/dbraw/zinc/39/77/33/1032397733.db2.gz QDPFMOMQYPXOGO-BVYCBKJFSA-N 1 0 386.451 3.954 20 30 GHEDRO COc1cc(CCC(C)=O)ccc1O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001227526681 1032452660 /nfs/dbraw/zinc/45/26/60/1032452660.db2.gz DDLRUVKHOSYTEN-NRFANRHFSA-N 1 0 378.472 3.742 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001204144530 1032600772 /nfs/dbraw/zinc/60/07/72/1032600772.db2.gz ICMXHNCEROHJIA-HSZRJFAPSA-N 1 0 391.515 3.731 20 30 GHEDRO COc1cccc(N(C2CC[NH2+]CC2)C(F)(F)c2cc(Cl)ncc2C#N)c1 ZINC001155605463 1032597358 /nfs/dbraw/zinc/59/73/58/1032597358.db2.gz DSNBFVDSQPJJLT-UHFFFAOYSA-N 1 0 392.837 3.923 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001204144532 1032600292 /nfs/dbraw/zinc/60/02/92/1032600292.db2.gz ICMXHNCEROHJIA-QHCPKHFHSA-N 1 0 391.515 3.731 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(OCC)c1)C2 ZINC001204186350 1032640478 /nfs/dbraw/zinc/64/04/78/1032640478.db2.gz ZKYVAEKDPNWKCE-YADHBBJMSA-N 1 0 375.509 3.668 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(N(C)C)c4ccccc34)C2)C1=O ZINC001204236833 1032680578 /nfs/dbraw/zinc/68/05/78/1032680578.db2.gz XGBDBIDYOXZHQU-XMMPIXPASA-N 1 0 377.532 3.906 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCCn2nccc21 ZINC000926818664 1017315172 /nfs/dbraw/zinc/31/51/72/1017315172.db2.gz ZIPAVODOUDSTKF-SJORKVTESA-N 1 0 387.528 3.627 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000560497726 1017644960 /nfs/dbraw/zinc/64/49/60/1017644960.db2.gz CPTFNSJHZFJGNS-DYXWJJEUSA-N 1 0 395.890 3.655 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1c(F)cccc1C#N ZINC000560589410 1017674304 /nfs/dbraw/zinc/67/43/04/1017674304.db2.gz YHNWBTAOTSPLMU-DTVZVWBHSA-N 1 0 379.479 3.513 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000930093732 1017785391 /nfs/dbraw/zinc/78/53/91/1017785391.db2.gz DIUJYVRKGBEFEI-UHFFFAOYSA-N 1 0 380.517 3.593 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000561120930 1017798769 /nfs/dbraw/zinc/79/87/69/1017798769.db2.gz KSQCPGUQKKAUDQ-OAHLLOKOSA-N 1 0 379.464 3.893 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)cc1 ZINC001204299862 1032740985 /nfs/dbraw/zinc/74/09/85/1032740985.db2.gz HQTSBLZRFGHGBL-UHFFFAOYSA-N 1 0 378.520 3.924 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cc1 ZINC001204300957 1032742979 /nfs/dbraw/zinc/74/29/79/1032742979.db2.gz XYUCNKIUCZGANG-QFIPXVFZSA-N 1 0 397.544 3.641 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)cc1 ZINC001204300898 1032743137 /nfs/dbraw/zinc/74/31/37/1032743137.db2.gz LIWXJZIGYOCEML-NHCUHLMSSA-N 1 0 397.544 3.782 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000932141109 1018118081 /nfs/dbraw/zinc/11/80/81/1018118081.db2.gz QFQXFFJZSJCEJT-QGZVFWFLSA-N 1 0 399.535 3.682 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(C#N)cc1 ZINC000562495922 1018225373 /nfs/dbraw/zinc/22/53/73/1018225373.db2.gz PZFSUQHUKLSPBH-QFIPXVFZSA-N 1 0 397.544 3.761 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000932548915 1018437923 /nfs/dbraw/zinc/43/79/23/1018437923.db2.gz DEZPNTPEIHAWBP-OAQYLSRUSA-N 1 0 390.512 3.990 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC000932720144 1018608003 /nfs/dbraw/zinc/60/80/03/1018608003.db2.gz IGMNGZWERSZDDB-BOCKYXSRSA-N 1 0 399.535 3.520 20 30 GHEDRO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562798557 1018654117 /nfs/dbraw/zinc/65/41/17/1018654117.db2.gz RQNVFABOCPWIOZ-CTNGQTDRSA-N 1 0 390.535 3.851 20 30 GHEDRO CCOC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000932941872 1018769807 /nfs/dbraw/zinc/76/98/07/1018769807.db2.gz DLKRFLVYLNYGLU-HWACXVBKSA-N 1 0 381.307 3.904 20 30 GHEDRO O[C@@H](C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 ZINC000932942282 1018770733 /nfs/dbraw/zinc/77/07/33/1018770733.db2.gz GPZMCQIBSWSRSL-SRVKXCTJSA-N 1 0 389.286 3.823 20 30 GHEDRO N#Cc1ccccc1CN1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001204371304 1032813452 /nfs/dbraw/zinc/81/34/52/1032813452.db2.gz UWENTTDTBZJUDG-OAQYLSRUSA-N 1 0 382.458 3.687 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565765459 1019204383 /nfs/dbraw/zinc/20/43/83/1019204383.db2.gz ORPCYKVXWWNHMN-ZQMYSKGWSA-N 1 0 388.515 3.927 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000571754123 1019705775 /nfs/dbraw/zinc/70/57/75/1019705775.db2.gz IKLDSBJQINQLGL-GMKZXUHWSA-N 1 0 377.532 3.644 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000572889887 1019812069 /nfs/dbraw/zinc/81/20/69/1019812069.db2.gz GBTVRDAHQXWRFB-DLBZAZTESA-N 1 0 376.508 3.598 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCC#Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000573627647 1019835078 /nfs/dbraw/zinc/83/50/78/1019835078.db2.gz LAHDHAWBCSHOIA-WMZHIEFXSA-N 1 0 393.506 3.872 20 30 GHEDRO N#Cc1ccc(N2CCCN(Cc3ccccc3OC(F)(F)F)CC2)nc1 ZINC001204426488 1032857592 /nfs/dbraw/zinc/85/75/92/1032857592.db2.gz UMQHIOTVFJQYGR-UHFFFAOYSA-N 1 0 376.382 3.564 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000047010338 1019939940 /nfs/dbraw/zinc/93/99/40/1019939940.db2.gz KRSYGAVQPNFCSG-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CCOCC1 ZINC000600719710 1020224550 /nfs/dbraw/zinc/22/45/50/1020224550.db2.gz VUWYJQHQSLCZBI-OAHLLOKOSA-N 1 0 397.500 3.717 20 30 GHEDRO COc1ccc(C2(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)CCCCC2)cc1 ZINC000600722384 1020227041 /nfs/dbraw/zinc/22/70/41/1020227041.db2.gz RQXVSRQBWZKNHQ-HXUWFJFHSA-N 1 0 386.536 3.558 20 30 GHEDRO C=CC[C@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000779353459 1020739249 /nfs/dbraw/zinc/73/92/49/1020739249.db2.gz YQPWDXFYFTXLQP-NYVOZVTQSA-N 1 0 378.520 3.909 20 30 GHEDRO CCOc1cc(C#N)cc(Br)c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001228423343 1032929906 /nfs/dbraw/zinc/92/99/06/1032929906.db2.gz HXKIJBXQMBZNRX-XOIINTDNSA-N 1 0 379.298 3.829 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cnc(-c4ccco4)s3)CC2)cc1 ZINC000194317955 1020965436 /nfs/dbraw/zinc/96/54/36/1020965436.db2.gz OVRJRPRAHCVETM-UHFFFAOYSA-N 1 0 378.501 3.983 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](c1cccs1)N1CCOCC1 ZINC000303723913 1021144212 /nfs/dbraw/zinc/14/42/12/1021144212.db2.gz ZIUUYVXMDXGKKH-SFHVURJKSA-N 1 0 386.565 3.673 20 30 GHEDRO CC[NH+]=C(NCCc1nnc2ccccn21)N[C@@H](C)c1cccc2ccccc21 ZINC000304139573 1021150301 /nfs/dbraw/zinc/15/03/01/1021150301.db2.gz ZNGUNFVKCRYWJM-KRWDZBQOSA-N 1 0 386.503 3.741 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2nnc(Cl)cc2C#N)cc1 ZINC001156293593 1032962945 /nfs/dbraw/zinc/96/29/45/1032962945.db2.gz GJRJFIKHQFKCAP-QGZVFWFLSA-N 1 0 385.899 3.501 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2ccccc2CC#N)c1 ZINC001140262674 1021278772 /nfs/dbraw/zinc/27/87/72/1021278772.db2.gz ZYPFWQJCCYONAH-UHFFFAOYSA-N 1 0 379.460 3.504 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3-c3cnc(N)nc3)C2)c1 ZINC001140325768 1021405590 /nfs/dbraw/zinc/40/55/90/1021405590.db2.gz UMHCFTCZRJEOBV-NRFANRHFSA-N 1 0 385.471 3.641 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)CC2)cc1 ZINC001140412116 1021606547 /nfs/dbraw/zinc/60/65/47/1021606547.db2.gz GPVOMJQRYKZOCM-UHFFFAOYSA-N 1 0 389.890 3.991 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(C2(C#N)CCSCC2)n1 ZINC000903977436 1021667439 /nfs/dbraw/zinc/66/74/39/1021667439.db2.gz RJKUDCSYYSDICK-UHFFFAOYSA-N 1 0 386.521 3.746 20 30 GHEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437397 1021705056 /nfs/dbraw/zinc/70/50/56/1021705056.db2.gz IFLCLMPDGFLGJG-JKSUJKDBSA-N 1 0 382.508 3.821 20 30 GHEDRO c1cn(-c2ccc(N=NC3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)nn2)cn1 ZINC000834975057 1021747917 /nfs/dbraw/zinc/74/79/17/1021747917.db2.gz WKJAJEDONNOSLM-QUCCMNQESA-N 1 0 387.491 3.505 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3CCC[C@H](C#N)CC3)cc2)CC1 ZINC001140481544 1021783630 /nfs/dbraw/zinc/78/36/30/1021783630.db2.gz WLMUIBCTLMZZEM-IBGZPJMESA-N 1 0 398.551 3.869 20 30 GHEDRO C=C(C)[C@@H](CO)Sc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000677130960 1021798908 /nfs/dbraw/zinc/79/89/08/1021798908.db2.gz HAKGOQXNNRQPHJ-LJQANCHMSA-N 1 0 389.565 3.544 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC001140600120 1022044965 /nfs/dbraw/zinc/04/49/65/1022044965.db2.gz CFJJGGGQSJQULU-IBGZPJMESA-N 1 0 383.879 3.809 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140755222 1022440491 /nfs/dbraw/zinc/44/04/91/1022440491.db2.gz VSWBTWBIOBKIHE-ZSBFGKGUSA-N 1 0 377.435 3.572 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000754200163 1022534050 /nfs/dbraw/zinc/53/40/50/1022534050.db2.gz IVPORZBCKGCHHF-FPOVZHCZSA-N 1 0 382.467 3.835 20 30 GHEDRO CC(C)[N@H+]1CC(N=Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@@H](C)C1 ZINC000754256592 1022565267 /nfs/dbraw/zinc/56/52/67/1022565267.db2.gz BUOAQDMVFOZSBG-INIZCTEOSA-N 1 0 386.521 3.615 20 30 GHEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754314679 1022610985 /nfs/dbraw/zinc/61/09/85/1022610985.db2.gz NEDGEKLQXIWTPL-PKOBYXMFSA-N 1 0 387.524 3.952 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000754349946 1022635676 /nfs/dbraw/zinc/63/56/76/1022635676.db2.gz VYICXTVOAYNBLG-IBGZPJMESA-N 1 0 376.504 3.905 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N(CC)CC)cc1O)CC2 ZINC001140852525 1022702275 /nfs/dbraw/zinc/70/22/75/1022702275.db2.gz RAQBKPMITXOITH-QHCPKHFHSA-N 1 0 385.552 3.772 20 30 GHEDRO Cc1c[nH]c(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1C ZINC001140860757 1022721955 /nfs/dbraw/zinc/72/19/55/1022721955.db2.gz ZMLVGRQWRAIBKY-QHCPKHFHSA-N 1 0 378.520 3.622 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1=O ZINC001140884754 1022793897 /nfs/dbraw/zinc/79/38/97/1022793897.db2.gz WPWNOHMUIIOBQU-GOSISDBHSA-N 1 0 386.389 3.725 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1O ZINC000754723324 1022858302 /nfs/dbraw/zinc/85/83/02/1022858302.db2.gz OSUGVODZMQBRBU-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO CCCCCCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000754852519 1022933803 /nfs/dbraw/zinc/93/38/03/1022933803.db2.gz BXAGYLCZAAGATO-UHFFFAOYSA-N 1 0 383.540 3.654 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000836456171 1022986977 /nfs/dbraw/zinc/98/69/77/1022986977.db2.gz KIDQYMLOQVYSAJ-KRWDZBQOSA-N 1 0 396.466 3.714 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000755119493 1023082146 /nfs/dbraw/zinc/08/21/46/1023082146.db2.gz IGQCAJSHVSRDSU-NCHVFDOVSA-N 1 0 398.466 3.766 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000836610944 1023168652 /nfs/dbraw/zinc/16/86/52/1023168652.db2.gz ITRCENHBWUMQSB-WIYYLYMNSA-N 1 0 397.544 3.642 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000755978713 1023460817 /nfs/dbraw/zinc/46/08/17/1023460817.db2.gz DKXQYRKZVWLYKQ-DHIUTWEWSA-N 1 0 391.515 3.543 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCN2Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141107197 1023515802 /nfs/dbraw/zinc/51/58/02/1023515802.db2.gz SQNFIAHFACLARY-UHFFFAOYSA-N 1 0 396.944 3.831 20 30 GHEDRO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141114436 1023531735 /nfs/dbraw/zinc/53/17/35/1023531735.db2.gz OKLNRFZSPQBQEX-LBPRGKRZSA-N 1 0 398.960 3.934 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(OC)c3F)C[C@@H]2c2ccccc2)C1=O ZINC001141220841 1024176878 /nfs/dbraw/zinc/17/68/78/1024176878.db2.gz MHPRDWHRSIHYMS-YKSBVNFPSA-N 1 0 394.490 3.838 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)C1 ZINC000831093905 1024351656 /nfs/dbraw/zinc/35/16/56/1024351656.db2.gz GRSSMPMOWCBWFS-QGZVFWFLSA-N 1 0 388.943 3.749 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc3c(cc1Cl)OCO3)C2 ZINC001138240930 1024446928 /nfs/dbraw/zinc/44/69/28/1024446928.db2.gz LGTBTOAEKYNTOO-PMACEKPBSA-N 1 0 379.884 3.642 20 30 GHEDRO C#CCOc1ccc(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001138342738 1024703733 /nfs/dbraw/zinc/70/37/33/1024703733.db2.gz CFSRZQBFEAEQRT-PKTZIBPZSA-N 1 0 390.527 3.804 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)CCO2 ZINC001138450975 1024875357 /nfs/dbraw/zinc/87/53/57/1024875357.db2.gz PQKCLUWKUPYAHN-FYYLOGMGSA-N 1 0 381.520 3.959 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1Cl ZINC001138471917 1024900257 /nfs/dbraw/zinc/90/02/57/1024900257.db2.gz KLBPKKJVGRKUKK-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(OC3CCOCC3)cc1)CC2 ZINC001141408056 1024918899 /nfs/dbraw/zinc/91/88/99/1024918899.db2.gz QWHOXKPGYOBEST-DEOSSOPVSA-N 1 0 398.547 3.778 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC001138557711 1025019757 /nfs/dbraw/zinc/01/97/57/1025019757.db2.gz FQUDNNJEMFGDOT-JOCHJYFZSA-N 1 0 397.469 3.831 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c1O ZINC001138626760 1025125900 /nfs/dbraw/zinc/12/59/00/1025125900.db2.gz OADJJVQXDHWMDU-LADGPHEKSA-N 1 0 394.515 3.856 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1O ZINC001138627466 1025127232 /nfs/dbraw/zinc/12/72/32/1025127232.db2.gz ITZWJTUFXZDSNA-DEOSSOPVSA-N 1 0 391.515 3.673 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c1O ZINC001138628049 1025128416 /nfs/dbraw/zinc/12/84/16/1025128416.db2.gz RZMWDLFHRVSBCY-ILBGXUMGSA-N 1 0 390.527 3.885 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001138630973 1025134679 /nfs/dbraw/zinc/13/46/79/1025134679.db2.gz HOSYPDLQAWTYDY-INIZCTEOSA-N 1 0 393.409 3.973 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001138647643 1025158676 /nfs/dbraw/zinc/15/86/76/1025158676.db2.gz FLRWWOLSXWAGKY-QFIPXVFZSA-N 1 0 382.483 3.545 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnn1[C@@H]1CCCCO1)[C@@H]2CC ZINC001138780300 1025352862 /nfs/dbraw/zinc/35/28/62/1025352862.db2.gz YQMOJCBMICVPIX-HJNYFJLDSA-N 1 0 386.540 3.504 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000839136946 1025631638 /nfs/dbraw/zinc/63/16/38/1025631638.db2.gz VAQWJZHBUGXPAO-IBGZPJMESA-N 1 0 387.524 3.603 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000839154327 1025655637 /nfs/dbraw/zinc/65/56/37/1025655637.db2.gz QBCDYLDXZPHEOI-QFIPXVFZSA-N 1 0 399.441 3.611 20 30 GHEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CCN(CC(F)(F)F)CC1 ZINC000832621128 1025774673 /nfs/dbraw/zinc/77/46/73/1025774673.db2.gz RLGSGULGWWASEN-UHFFFAOYSA-N 1 0 375.822 3.701 20 30 GHEDRO N#CCCN(C(=O)c1ccc(NC[C@@]2(F)CCCC[NH2+]C2)nc1)c1ccccc1 ZINC001162579710 1025805277 /nfs/dbraw/zinc/80/52/77/1025805277.db2.gz HVRJXOBFXGHLKR-JOCHJYFZSA-N 1 0 395.482 3.536 20 30 GHEDRO N#Cc1ncc(NCCC[NH+](Cc2ccccc2)Cc2ccccc2)nc1C#N ZINC001162675095 1025867434 /nfs/dbraw/zinc/86/74/34/1025867434.db2.gz GZFGOIZUDJQZAP-UHFFFAOYSA-N 1 0 382.471 3.724 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC001139074951 1025881849 /nfs/dbraw/zinc/88/18/49/1025881849.db2.gz PDAZSTWHLTZUGA-FQEVSTJZSA-N 1 0 376.884 3.602 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162810044 1025925240 /nfs/dbraw/zinc/92/52/40/1025925240.db2.gz NSZURSXEBLAFDM-UHFFFAOYSA-N 1 0 393.288 3.549 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(C)c(C#N)c(C)c2)cc1 ZINC001141652544 1026077982 /nfs/dbraw/zinc/07/79/82/1026077982.db2.gz LVDPOHFWPJSBTJ-UHFFFAOYSA-N 1 0 379.504 3.826 20 30 GHEDRO CC(C)N(C(C)(C)C[NH3+])C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001163189663 1026082663 /nfs/dbraw/zinc/08/26/63/1026082663.db2.gz VGKATWGQXUVZPM-UHFFFAOYSA-N 1 0 385.768 3.517 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)[C@H](O)c1ccccc1 ZINC000839604329 1026102335 /nfs/dbraw/zinc/10/23/35/1026102335.db2.gz LZMGHBSBOXJQTG-VFNWGFHPSA-N 1 0 397.544 3.881 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000839607375 1026105851 /nfs/dbraw/zinc/10/58/51/1026105851.db2.gz GPRVXRYRWRHXLY-INIZCTEOSA-N 1 0 392.459 3.584 20 30 GHEDRO C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000839644601 1026152371 /nfs/dbraw/zinc/15/23/71/1026152371.db2.gz YBOBRJHQJIOHOQ-GOSISDBHSA-N 1 0 375.266 3.517 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1ccc2c(C#N)c[nH]c2n1)c1ccc(Cl)cc1 ZINC001163384456 1026169182 /nfs/dbraw/zinc/16/91/82/1026169182.db2.gz HEDNSNVJIIINRV-SFHVURJKSA-N 1 0 383.883 3.819 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1nccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC001163385077 1026170844 /nfs/dbraw/zinc/17/08/44/1026170844.db2.gz GDYNUGXCVIZTOT-QGZVFWFLSA-N 1 0 379.291 3.991 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1c1ccccc1 ZINC001141664578 1026183866 /nfs/dbraw/zinc/18/38/66/1026183866.db2.gz RIRMBIKVHJFTDF-QZTJIDSGSA-N 1 0 399.288 3.709 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000839678345 1026193964 /nfs/dbraw/zinc/19/39/64/1026193964.db2.gz YWOMPBPNARXSAG-OAQYLSRUSA-N 1 0 377.529 3.562 20 30 GHEDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ncc(C)cc2C#C[Si](C)(C)C)cc1 ZINC001163468880 1026206204 /nfs/dbraw/zinc/20/62/04/1026206204.db2.gz YVWAZPWANGAZEC-IBGZPJMESA-N 1 0 381.552 3.517 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ncc(C(=O)N2CCCCC2)cc1Cl ZINC001163472735 1026207378 /nfs/dbraw/zinc/20/73/78/1026207378.db2.gz CWXHWYWTIYDWGH-UHFFFAOYSA-N 1 0 399.926 3.850 20 30 GHEDRO COC(=O)c1ccc2c(c1)nc(Cl)nc2NC(C)=NCc1cccc(C[NH3+])c1 ZINC001163471784 1026207413 /nfs/dbraw/zinc/20/74/13/1026207413.db2.gz HEVPEPAWFXTSMW-UHFFFAOYSA-N 1 0 397.866 3.559 20 30 GHEDRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001139399858 1026270356 /nfs/dbraw/zinc/27/03/56/1026270356.db2.gz YOABVKRDQFNAOW-KRWDZBQOSA-N 1 0 389.455 3.870 20 30 GHEDRO CC[C@H]1[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CCC[C@]12CCC(=O)N2 ZINC001139423261 1026294140 /nfs/dbraw/zinc/29/41/40/1026294140.db2.gz GJPWMHCPKRNQGN-OFNKIYASSA-N 1 0 390.487 3.769 20 30 GHEDRO N#CCCN1CC[NH+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC1 ZINC001139449069 1026314826 /nfs/dbraw/zinc/31/48/26/1026314826.db2.gz QZLUMRLLAACPQE-UHFFFAOYSA-N 1 0 393.922 3.769 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001163881470 1026349297 /nfs/dbraw/zinc/34/92/97/1026349297.db2.gz HIUTVWNWWURGQI-UHFFFAOYSA-N 1 0 385.628 3.639 20 30 GHEDRO O/N=C/c1cc(NCc2cccnc2C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001163915385 1026361194 /nfs/dbraw/zinc/36/11/94/1026361194.db2.gz YNKRXWJDJHFEOC-KBKYJPHKSA-N 1 0 378.398 3.988 20 30 GHEDRO N#Cc1ccc(CN2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)cc1F ZINC001139527481 1026385191 /nfs/dbraw/zinc/38/51/91/1026385191.db2.gz CXBXPKKHTKKJKI-JTHBVZDNSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1F ZINC001139528734 1026386821 /nfs/dbraw/zinc/38/68/21/1026386821.db2.gz UZRZUWJFOSXZKP-QHCPKHFHSA-N 1 0 375.447 3.598 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3ncc(C(F)(F)F)cc13)C2 ZINC001139538332 1026400338 /nfs/dbraw/zinc/40/03/38/1026400338.db2.gz OFLAKESWXZLHND-APWZRJJASA-N 1 0 395.425 3.908 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001139617671 1026481597 /nfs/dbraw/zinc/48/15/97/1026481597.db2.gz WXVUMVXXATWUTP-JHUUHBRDSA-N 1 0 376.500 3.762 20 30 GHEDRO N#Cc1cccc2c(CN3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c[nH]c21 ZINC001139705054 1026549577 /nfs/dbraw/zinc/54/95/77/1026549577.db2.gz KTCPECFAROHWKM-TZIWHRDSSA-N 1 0 390.462 3.516 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4c[nH]c5c4cccc5C#N)CC[N@@H+]3C2)cc1 ZINC001139705610 1026551495 /nfs/dbraw/zinc/55/14/95/1026551495.db2.gz VLXRNRGXELUSKK-IRLDBZIGSA-N 1 0 386.499 3.686 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cc1C#N ZINC001139724202 1026567859 /nfs/dbraw/zinc/56/78/59/1026567859.db2.gz NLSCGIZSMYCRFW-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165083752 1026595184 /nfs/dbraw/zinc/59/51/84/1026595184.db2.gz HSXSXKSZARQOAS-YJBOKZPZSA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[N@@H+](C)C[C@H](c2ccc(OC)cc2)C2(O)CCCCC2)cn1 ZINC001139770995 1026606037 /nfs/dbraw/zinc/60/60/37/1026606037.db2.gz KDJOFNNVBBZWCX-JOCHJYFZSA-N 1 0 383.536 3.989 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001165160188 1026639836 /nfs/dbraw/zinc/63/98/36/1026639836.db2.gz LNSKTPFBEXONDH-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CCC4(CCCC[NH2+]4)CC3)nc2)cc1 ZINC001165248128 1026678895 /nfs/dbraw/zinc/67/88/95/1026678895.db2.gz GJPDPPUQQYXGTH-UHFFFAOYSA-N 1 0 376.504 3.839 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccccc1-c1ccccc1C(=O)OC ZINC001139869664 1026682848 /nfs/dbraw/zinc/68/28/48/1026682848.db2.gz OXFCVJAKNGZEJM-UHFFFAOYSA-N 1 0 380.488 3.720 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1occc1CN1c2ccccc2C[C@@H]1C ZINC001139870046 1026685337 /nfs/dbraw/zinc/68/53/37/1026685337.db2.gz WYWYWMJOCTZNRC-SFHVURJKSA-N 1 0 381.520 3.811 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNc2ccc(C(=O)N(CCC#N)c3ccccc3)cn2)C1 ZINC001165273777 1026688788 /nfs/dbraw/zinc/68/87/88/1026688788.db2.gz VXCUYBFRGZZPOY-LJQANCHMSA-N 1 0 391.519 3.786 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c1 ZINC001139874726 1026691859 /nfs/dbraw/zinc/69/18/59/1026691859.db2.gz JRVZXEDCJKNBMJ-HTZLVSCSSA-N 1 0 397.519 3.576 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)c1 ZINC001139876992 1026692734 /nfs/dbraw/zinc/69/27/34/1026692734.db2.gz UBTLDOIIFQVRNT-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO Cc1nc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1CC#N ZINC001165481517 1026743554 /nfs/dbraw/zinc/74/35/54/1026743554.db2.gz QGOXJXWDMHKGAP-IFMALSPDSA-N 1 0 380.467 3.644 20 30 GHEDRO N#Cc1cccc(N2CCN(Cc3c[nH]c4nccc(Br)c34)CC2)c1 ZINC001139945310 1026751782 /nfs/dbraw/zinc/75/17/82/1026751782.db2.gz HLOXJEYSKQIPMI-UHFFFAOYSA-N 1 0 396.292 3.519 20 30 GHEDRO CC(C)(C)N(c1nc(-c2ccncc2)ccc1C#N)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670665 1026791456 /nfs/dbraw/zinc/79/14/56/1026791456.db2.gz SJWXUUHAFAVDPO-IBGZPJMESA-N 1 0 391.519 3.531 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC[C@@]3(C[C@H](c4ccccc4)CO3)C1)C[NH2+]CCC2 ZINC001165725183 1026808910 /nfs/dbraw/zinc/80/89/10/1026808910.db2.gz SOUXWBIQXBDKDH-YADARESESA-N 1 0 388.515 3.532 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cc(O)ccc4F)C3)C2)c1 ZINC001140048407 1026831193 /nfs/dbraw/zinc/83/11/93/1026831193.db2.gz ZPJXDTMULWIXAU-QHCPKHFHSA-N 1 0 395.478 3.522 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)CC[C@@H]21 ZINC001140110907 1026892358 /nfs/dbraw/zinc/89/23/58/1026892358.db2.gz UWVJWIGWNTXMRL-JXFKEZNVSA-N 1 0 380.492 3.871 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H]12 ZINC001140114107 1026896237 /nfs/dbraw/zinc/89/62/37/1026896237.db2.gz PABUIBXJTOQNSK-DQEYMECFSA-N 1 0 398.510 3.804 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)c1 ZINC001140136621 1026909331 /nfs/dbraw/zinc/90/93/31/1026909331.db2.gz IFQIPRSGULZWJN-IRLDBZIGSA-N 1 0 381.451 3.542 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]2CF)CC1 ZINC001140136687 1026910496 /nfs/dbraw/zinc/91/04/96/1026910496.db2.gz KIBDGGNDTMTBJY-DLBZAZTESA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)c(F)c1 ZINC001140137741 1026911147 /nfs/dbraw/zinc/91/11/47/1026911147.db2.gz WBVHTYHNSSPFJO-IFMALSPDSA-N 1 0 399.441 3.682 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C#N)cc3F)CC2)c2ccccc21 ZINC001140137638 1026911288 /nfs/dbraw/zinc/91/12/88/1026911288.db2.gz PZELYYKNOXVHCY-LJQANCHMSA-N 1 0 391.490 3.855 20 30 GHEDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140138193 1026912211 /nfs/dbraw/zinc/91/22/11/1026912211.db2.gz HOZKEGDOIMHWLW-FQEVSTJZSA-N 1 0 377.463 3.678 20 30 GHEDRO Cc1cc(C)[nH+]c(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001166454635 1027005718 /nfs/dbraw/zinc/00/57/18/1027005718.db2.gz ZTCBKZKNQPTUGL-QHCPKHFHSA-N 1 0 376.504 3.694 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1)C1N=CC=CC1=O ZINC001461189572 1069432898 /nfs/dbraw/zinc/43/28/98/1069432898.db2.gz FVSSYDWCWJLPRG-QZQOTICOSA-N 1 0 381.863 3.623 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccccc4F)C3)C2)c1 ZINC001203353384 1027288979 /nfs/dbraw/zinc/28/89/79/1027288979.db2.gz YXOSHLMHWNJSRX-HSZRJFAPSA-N 1 0 379.479 3.816 20 30 GHEDRO Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)cc1 ZINC001203403745 1027314309 /nfs/dbraw/zinc/31/43/09/1027314309.db2.gz YRJZTFCZDQWKPJ-HSZRJFAPSA-N 1 0 375.516 3.541 20 30 GHEDRO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001203758083 1027580029 /nfs/dbraw/zinc/58/00/29/1027580029.db2.gz RKXIDZYSHREPOM-RUZDIDTESA-N 1 0 396.494 3.998 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3cccc(C#N)c3)CC2)c2cc(C)ccc21 ZINC001203761243 1027583068 /nfs/dbraw/zinc/58/30/68/1027583068.db2.gz YGFURCHNDMQCCO-JOCHJYFZSA-N 1 0 388.515 3.774 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccc(C)cc21 ZINC001203761895 1027583272 /nfs/dbraw/zinc/58/32/72/1027583272.db2.gz GMEWHDUUAJSMRL-QFIPXVFZSA-N 1 0 388.515 3.774 20 30 GHEDRO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](Cc2cccc(C#N)c2)C3)n1 ZINC001203761490 1027583302 /nfs/dbraw/zinc/58/33/02/1027583302.db2.gz AENBKGRGBGNASJ-DNQXCXABSA-N 1 0 391.515 3.850 20 30 GHEDRO C[NH+](C)CCN1C(=O)c2cccc3cc(Nc4ccccc4C#N)cc(c32)C1=O ZINC001210742348 1027632459 /nfs/dbraw/zinc/63/24/59/1027632459.db2.gz QADHGQGEMOBDAO-UHFFFAOYSA-N 1 0 384.439 3.613 20 30 GHEDRO CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C2)C1=O ZINC001141975736 1027789054 /nfs/dbraw/zinc/78/90/54/1027789054.db2.gz IGWVEKNCLAZROL-HSZRJFAPSA-N 1 0 378.541 3.982 20 30 GHEDRO O=C1OCCCN1C1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141978083 1027794259 /nfs/dbraw/zinc/79/42/59/1027794259.db2.gz ZJSKKLWNLZKZHJ-UHFFFAOYSA-N 1 0 380.513 3.955 20 30 GHEDRO C=CCN1C(=O)N(c2ccc3c(c2)CC[C@H]3[NH+](C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000840905194 1027939203 /nfs/dbraw/zinc/93/92/03/1027939203.db2.gz ZNNBHTIAYMYVLB-FGZHOGPDSA-N 1 0 389.499 3.801 20 30 GHEDRO CCN(C(=O)c1ccc(C#N)cc1OC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001142069161 1028022389 /nfs/dbraw/zinc/02/23/89/1028022389.db2.gz NTPFQWPIPDCDME-PXNSSMCTSA-N 1 0 377.488 3.864 20 30 GHEDRO C[NH+](C)CCOc1cc(Br)ccc1Nc1ccc(C#N)cc1N ZINC001213365531 1028139425 /nfs/dbraw/zinc/13/94/25/1028139425.db2.gz SFIPQPVGWIDSOD-UHFFFAOYSA-N 1 0 375.270 3.587 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000841123082 1028177433 /nfs/dbraw/zinc/17/74/33/1028177433.db2.gz PPRCQDZRMVLVMC-YVEFUNNKSA-N 1 0 390.365 3.731 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(N)c(C#N)c3)cc2C(F)(F)F)CC1 ZINC001213441447 1028194057 /nfs/dbraw/zinc/19/40/57/1028194057.db2.gz VHQURUMGZUUDEH-UHFFFAOYSA-N 1 0 389.425 3.650 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(F)c1I ZINC001461460381 1069559769 /nfs/dbraw/zinc/55/97/69/1069559769.db2.gz GTQLYAOLYLYBPD-WFASDCNBSA-N 1 0 375.225 3.501 20 30 GHEDRO C#CC1(NC(=O)Nc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)CCCC1 ZINC001214897870 1028957667 /nfs/dbraw/zinc/95/76/67/1028957667.db2.gz LQXWYQCNVQWUIJ-UHFFFAOYSA-N 1 0 388.943 3.940 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000841819438 1028966278 /nfs/dbraw/zinc/96/62/78/1028966278.db2.gz ZPALSSGRWZFVDO-PZJWPPBQSA-N 1 0 380.492 3.647 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2)s1 ZINC000841830588 1028971153 /nfs/dbraw/zinc/97/11/53/1028971153.db2.gz JODDDHTUBCCCNS-QXAKKESOSA-N 1 0 380.517 3.556 20 30 GHEDRO CC[NH2+]CC1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000841831333 1028971841 /nfs/dbraw/zinc/97/18/41/1028971841.db2.gz UECAWNNBJUBEJS-UHFFFAOYSA-N 1 0 382.533 3.818 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)CCCNC(=[NH2+])Nc2ccc(C)cc2)cc1 ZINC000304938275 1029086150 /nfs/dbraw/zinc/08/61/50/1029086150.db2.gz LFSMLCMSFUKQCN-KRWDZBQOSA-N 1 0 382.508 3.778 20 30 GHEDRO N#CCCn1cc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)c(-c2ccccc2)n1 ZINC000181989044 1029089065 /nfs/dbraw/zinc/08/90/65/1029089065.db2.gz OLOXTBZFGFVBQY-QFIPXVFZSA-N 1 0 377.536 3.818 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3ccc(N4CC[NH+](C)CC4)cc3)n2)c(F)c1 ZINC001215572982 1029288373 /nfs/dbraw/zinc/28/83/73/1029288373.db2.gz IBHNBISWXRGLCB-UHFFFAOYSA-N 1 0 394.450 3.859 20 30 GHEDRO CCOC(=O)c1cnc(N=NC2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc1C ZINC000842530883 1029368685 /nfs/dbraw/zinc/36/86/85/1029368685.db2.gz VCJXJJSDBGEYES-UHFFFAOYSA-N 1 0 393.491 3.558 20 30 GHEDRO CCCC[N@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)[C@@H]1CCc2ncsc2C1 ZINC000842644090 1029449161 /nfs/dbraw/zinc/44/91/61/1029449161.db2.gz DACAEUMIKPPSQS-QGZVFWFLSA-N 1 0 396.560 3.672 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000842683889 1029491035 /nfs/dbraw/zinc/49/10/35/1029491035.db2.gz FCEODCSSZDRTCR-OTWHNJEPSA-N 1 0 385.508 3.562 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000842833895 1029622113 /nfs/dbraw/zinc/62/21/13/1029622113.db2.gz QHNVEHJXJAGQDF-SFHVURJKSA-N 1 0 380.492 3.741 20 30 GHEDRO Cc1nc(CN2CCC3(C[NH+](Cc4c[nH]c5cc(C#N)ccc45)C3)C2)cs1 ZINC001142928592 1029709527 /nfs/dbraw/zinc/70/95/27/1029709527.db2.gz DJZKFRWZOAYABJ-UHFFFAOYSA-N 1 0 377.517 3.512 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(-c3ccccc3)nn1C)C2 ZINC001143008898 1029778853 /nfs/dbraw/zinc/77/88/53/1029778853.db2.gz CADQJJVJWXWCRV-XZOQPEGZSA-N 1 0 381.520 3.661 20 30 GHEDRO COC(=O)c1ccc2[nH]cc(C[N@@H+]3CCC[C@H](Oc4ccccc4C#N)C3)c2c1 ZINC001143238969 1029936605 /nfs/dbraw/zinc/93/66/05/1029936605.db2.gz JJYDLKVCIMKYQF-IBGZPJMESA-N 1 0 389.455 3.870 20 30 GHEDRO C#CC1CC[NH+](Cc2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)CC1 ZINC000843428244 1029999653 /nfs/dbraw/zinc/99/96/53/1029999653.db2.gz DOYBHSKULBDVTQ-UHFFFAOYSA-N 1 0 392.499 3.948 20 30 GHEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000843475196 1030032418 /nfs/dbraw/zinc/03/24/18/1030032418.db2.gz DIXGEHQJCLURFL-SZZVUECUSA-N 1 0 398.322 3.896 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000843482728 1030034646 /nfs/dbraw/zinc/03/46/46/1030034646.db2.gz AZHFOQQZVAMCGI-FMBMQGQPSA-N 1 0 390.274 3.836 20 30 GHEDRO N#Cc1cccc(CN2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222577439 1030206628 /nfs/dbraw/zinc/20/66/28/1030206628.db2.gz ZRNFOACEENNMBE-HSZRJFAPSA-N 1 0 375.516 3.862 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC001461628720 1069648061 /nfs/dbraw/zinc/64/80/61/1069648061.db2.gz GRTUXKJVXDQRMX-ZZLBYYGFSA-N 1 0 384.520 3.796 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001149846864 1030321525 /nfs/dbraw/zinc/32/15/25/1030321525.db2.gz HCUGQKDEKPQGNE-LJQANCHMSA-N 1 0 380.488 3.573 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3cccc4c(C#N)c[nH]c43)n2)CC1 ZINC001217673367 1030592415 /nfs/dbraw/zinc/59/24/15/1030592415.db2.gz AORDIQDFKPUULU-UHFFFAOYSA-N 1 0 384.443 3.508 20 30 GHEDRO C[NH+](C)CC1(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CCC1 ZINC001217730054 1030631796 /nfs/dbraw/zinc/63/17/96/1030631796.db2.gz ARHGKQBXOWDHTK-UHFFFAOYSA-N 1 0 394.523 3.647 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001276906680 1030672087 /nfs/dbraw/zinc/67/20/87/1030672087.db2.gz LPQLRAWJWCETCA-FQEVSTJZSA-N 1 0 388.558 3.714 20 30 GHEDRO C[NH2+][C@H]1C[C@@H](Oc2cc(OC)cc(OC)c2C(=O)/C=C/c2ccc(OC)cc2)C1 ZINC001217957934 1030689182 /nfs/dbraw/zinc/68/91/82/1030689182.db2.gz XYZFXLDVBRXKMG-KSLZKTQBSA-N 1 0 397.471 3.738 20 30 GHEDRO Cc1cc(O[C@H]2C[NH2+]CC[C@@H]2F)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001217961311 1030690941 /nfs/dbraw/zinc/69/09/41/1030690941.db2.gz KEHYZBKMDBXLMR-DIOJSCINSA-N 1 0 385.435 3.690 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001217988922 1030708429 /nfs/dbraw/zinc/70/84/29/1030708429.db2.gz DRNBGRUZTZYNDK-IVZQSRNASA-N 1 0 390.462 3.998 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001218016110 1030724741 /nfs/dbraw/zinc/72/47/41/1030724741.db2.gz CASANCISZFMOQZ-SUVIQUNHSA-N 1 0 385.435 3.766 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@H]2C[NH2+]C[C@@H]2F)c(OC)c1 ZINC001218021659 1030728450 /nfs/dbraw/zinc/72/84/50/1030728450.db2.gz RDJRJPARDFVAQG-FCRGVEGXSA-N 1 0 377.456 3.506 20 30 GHEDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001218023211 1030728507 /nfs/dbraw/zinc/72/85/07/1030728507.db2.gz HNHJVVGYQCWYKI-ZANVPECISA-N 1 0 388.103 3.850 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@H]3CC[NH2+]CC[C@H]3F)c2C1=O ZINC001218026411 1030729766 /nfs/dbraw/zinc/72/97/66/1030729766.db2.gz UDQDPUZRAZFLQP-QAPCUYQASA-N 1 0 387.451 3.913 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001223765852 1030744620 /nfs/dbraw/zinc/74/46/20/1030744620.db2.gz UMWRSEFLDCPUCM-GOSISDBHSA-N 1 0 384.863 3.789 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2CC[NH2+]C[C@@H]2F)c(O)c1 ZINC001218066037 1030753093 /nfs/dbraw/zinc/75/30/93/1030753093.db2.gz IZHPJPHDUDERBO-MAUKXSAKSA-N 1 0 383.460 3.694 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[NH2+]C[C@H]2F)c1 ZINC001218072543 1030756358 /nfs/dbraw/zinc/75/63/58/1030756358.db2.gz XBAPTBAVOCAFDN-DLBUCANVSA-N 1 0 385.435 3.679 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001461703406 1069689739 /nfs/dbraw/zinc/68/97/39/1069689739.db2.gz JJJPFPALPGCSET-LJQANCHMSA-N 1 0 381.273 3.590 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(Br)cc(Cl)nc1Br ZINC001218210474 1030832577 /nfs/dbraw/zinc/83/25/77/1030832577.db2.gz DFBXNMXZJVGELI-MRVPVSSYSA-N 1 0 382.483 3.557 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3CCC34C[NH2+]C4)c2)cc1OC ZINC001218242845 1030847570 /nfs/dbraw/zinc/84/75/70/1030847570.db2.gz VFWLSNOIIKMMRP-XOPAWIAISA-N 1 0 379.456 3.731 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1C[C@H]2CC[NH2+][C@@H]2C1 ZINC001218249629 1030851967 /nfs/dbraw/zinc/85/19/67/1030851967.db2.gz SWZRBJWFGCESAZ-HGHGUNKESA-N 1 0 387.483 3.634 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c1C(=O)/C=C/c1ccccc1 ZINC001218251231 1030853571 /nfs/dbraw/zinc/85/35/71/1030853571.db2.gz RLFXLPKZOCMBDJ-DXQIBURUSA-N 1 0 379.456 3.816 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)c(C#N)c2)nc1C ZINC001218252840 1030855514 /nfs/dbraw/zinc/85/55/14/1030855514.db2.gz VEHQJALFLNNZPO-KBRIMQKVSA-N 1 0 397.500 3.686 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c(OC)c1 ZINC001218325437 1030893547 /nfs/dbraw/zinc/89/35/47/1030893547.db2.gz FUBAUSLTSVPMIK-VLEDIQPISA-N 1 0 385.504 3.804 20 30 GHEDRO CCC(=O)[C@H]1C[C@@H](Oc2ccccc2C(=O)/C=C\c2ccc(OC)cc2)C[NH2+]1 ZINC001218325241 1030893649 /nfs/dbraw/zinc/89/36/49/1030893649.db2.gz JWBZPGFHPKJRHH-HKCWIBIESA-N 1 0 379.456 3.680 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001224168295 1030908560 /nfs/dbraw/zinc/90/85/60/1030908560.db2.gz JKGJNFAFEXEVSM-JTSKRJEESA-N 1 0 378.472 3.772 20 30 GHEDRO COc1cc(O[C@H]2CC[C@@H](C)[NH2+]C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218407826 1030926540 /nfs/dbraw/zinc/92/65/40/1030926540.db2.gz NOLSQUIFYHXXCE-MQIAMSSGSA-N 1 0 395.455 3.579 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001218478182 1030953004 /nfs/dbraw/zinc/95/30/04/1030953004.db2.gz WVPHPUGJALEZLU-AUNFYEFLSA-N 1 0 397.471 3.912 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(C#N)s2)c2ccccc2)CC1 ZINC001224305678 1030962217 /nfs/dbraw/zinc/96/22/17/1030962217.db2.gz FVKSQSCVGYJVIG-FQEVSTJZSA-N 1 0 382.533 3.892 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)n2)s1 ZINC001218788824 1031079745 /nfs/dbraw/zinc/07/97/45/1031079745.db2.gz ZDRPFTXAEYFWFN-UHFFFAOYSA-N 1 0 380.498 3.684 20 30 GHEDRO N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2cccc(OC(F)(F)C(F)F)c2)cc1 ZINC001218815998 1031093650 /nfs/dbraw/zinc/09/36/50/1031093650.db2.gz IJEAGPAIUDKLKX-OAHLLOKOSA-N 1 0 381.329 3.824 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]2[NH2+]CCc3cc(F)ccc32)ccc1N1CCCCC1 ZINC001218945075 1031169067 /nfs/dbraw/zinc/16/90/67/1031169067.db2.gz UHUVCMHNWRNETL-NRFANRHFSA-N 1 0 378.451 3.513 20 30 GHEDRO N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218996974 1031201962 /nfs/dbraw/zinc/20/19/62/1031201962.db2.gz QYHISUODGUNLAW-NFBKMPQASA-N 1 0 388.515 3.628 20 30 GHEDRO Cc1cc(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC001219022082 1031217267 /nfs/dbraw/zinc/21/72/67/1031217267.db2.gz QRDOVKUELMTQTA-HSZRJFAPSA-N 1 0 391.519 3.719 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(C)cc(C#N)c3)c(C)c2)CC1 ZINC001219113186 1031257615 /nfs/dbraw/zinc/25/76/15/1031257615.db2.gz JPIBPMXRJCILEC-UHFFFAOYSA-N 1 0 377.492 3.961 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)c(F)c1F ZINC001219120376 1031260770 /nfs/dbraw/zinc/26/07/70/1031260770.db2.gz WKMQUCYQDFFJII-UHFFFAOYSA-N 1 0 393.384 3.633 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(F)cc(Br)c3F)CC2)C1=O ZINC001277026002 1031315698 /nfs/dbraw/zinc/31/56/98/1031315698.db2.gz YJLSXWMOMXKRGX-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc(Br)c(Cl)cc2[nH]1 ZINC001152735914 1031342292 /nfs/dbraw/zinc/34/22/92/1031342292.db2.gz NFECVWBEUYWNDR-LBPRGKRZSA-N 1 0 396.716 3.964 20 30 GHEDRO C#Cc1ccc(NC(=O)C[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)cc1F ZINC001219383980 1031388137 /nfs/dbraw/zinc/38/81/37/1031388137.db2.gz GLWNRMSZIXFWDY-KRWDZBQOSA-N 1 0 378.447 3.824 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219645108 1031537189 /nfs/dbraw/zinc/53/71/89/1031537189.db2.gz IQKDITIUAUBOGG-PMACEKPBSA-N 1 0 381.605 3.728 20 30 GHEDRO COC(=O)C1=C[C@H](Oc2cc(Cl)cc(C#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC001225698899 1031549212 /nfs/dbraw/zinc/54/92/12/1031549212.db2.gz BWCDOCSFKAHIFN-FQEVSTJZSA-N 1 0 382.847 3.574 20 30 GHEDRO N#CCc1ccnc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001219701409 1031563466 /nfs/dbraw/zinc/56/34/66/1031563466.db2.gz NMZBURHWRYZVLU-PWRODBHTSA-N 1 0 389.503 3.570 20 30 GHEDRO C=CC[C@@H](C)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC001225825216 1031633047 /nfs/dbraw/zinc/63/30/47/1031633047.db2.gz UNVZKBVWSQCDJW-XWFIKDQWSA-N 1 0 397.515 3.656 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(C)cccc1Br ZINC001276810149 1031758441 /nfs/dbraw/zinc/75/84/41/1031758441.db2.gz PYNJDIXPKGJMPN-IBGZPJMESA-N 1 0 377.326 3.901 20 30 GHEDRO CN1[C@@H]2C[C@@H](Oc3c(Cl)cc(Br)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226594197 1032028757 /nfs/dbraw/zinc/02/87/57/1032028757.db2.gz RXYRKCTUIRQZBZ-PEUDNIOHSA-N 1 0 379.081 3.747 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001220664025 1032050821 /nfs/dbraw/zinc/05/08/21/1032050821.db2.gz UNKJPRWGKZNFHR-UZLBHIALSA-N 1 0 375.472 3.547 20 30 GHEDRO CCCC[NH+](CCCC)CCNc1nccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC001156905993 1033310567 /nfs/dbraw/zinc/31/05/67/1033310567.db2.gz ZMTIBNCLNDEVIG-KRWDZBQOSA-N 1 0 389.544 3.740 20 30 GHEDRO C[NH+](C)C1CCC(Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001229206813 1033342009 /nfs/dbraw/zinc/34/20/09/1033342009.db2.gz ADOKLZFOBMISMZ-UUYOSTAYSA-N 1 0 395.455 3.966 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)ccc1F ZINC001205473454 1033428070 /nfs/dbraw/zinc/42/80/70/1033428070.db2.gz ZZAOXXVTRGGFRT-HSZRJFAPSA-N 1 0 397.469 3.955 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)NC(=N)SCC[NH3+])cnc2Cl)cc1 ZINC001157137248 1033431315 /nfs/dbraw/zinc/43/13/15/1033431315.db2.gz XECATKGVPWINRU-UHFFFAOYSA-N 1 0 381.839 3.539 20 30 GHEDRO N#Cc1c2c(cnc1-c1ccc(N3CC[NH2+]CC3)cc1)CCN2Cc1ccccc1 ZINC001205538362 1033459272 /nfs/dbraw/zinc/45/92/72/1033459272.db2.gz IXLPQTVVORUNRX-UHFFFAOYSA-N 1 0 395.510 3.593 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(O)ccc2oc(-c3ccccc3)cc(=O)c21 ZINC001229455626 1033491855 /nfs/dbraw/zinc/49/18/55/1033491855.db2.gz KKAFWCVAJQMDIZ-MRXNPFEDSA-O 1 0 379.436 3.533 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CCC[N@H+](C)C3)c(C#N)c2)nc1C ZINC001229534576 1033546083 /nfs/dbraw/zinc/54/60/83/1033546083.db2.gz WFIAAESVHUCIRS-MRXNPFEDSA-N 1 0 385.489 3.640 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)cc1 ZINC001205932536 1033640170 /nfs/dbraw/zinc/64/01/70/1033640170.db2.gz LIWLXCPKQHLCEP-DEOSSOPVSA-N 1 0 393.531 3.969 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N(c3cnccn3)C3CC[NH2+]CC3)c12 ZINC001157544781 1033650928 /nfs/dbraw/zinc/65/09/28/1033650928.db2.gz PNXABDYVFAAPNN-UHFFFAOYSA-N 1 0 396.857 3.888 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cc(C)c3F)C2)C1=O ZINC001277413835 1033666701 /nfs/dbraw/zinc/66/67/01/1033666701.db2.gz IYSZEORSPUITBD-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO COC(=O)[C@@H]1C[C@H](Oc2nc(C)c(-c3ccc4nccn4c3)cc2C#N)C1(C)C ZINC001229769658 1033700032 /nfs/dbraw/zinc/70/00/32/1033700032.db2.gz SWZVQEXFMQDFRK-ROUUACIJSA-N 1 0 390.443 3.543 20 30 GHEDRO CCC[NH+]1C[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@@H]2C1 ZINC001157690902 1033725010 /nfs/dbraw/zinc/72/50/10/1033725010.db2.gz SDHMQINXHUKTMB-QWRGUYRKSA-N 1 0 375.250 3.583 20 30 GHEDRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206188811 1033758214 /nfs/dbraw/zinc/75/82/14/1033758214.db2.gz VXGNOYFXPAUAAM-QWHCGFSZSA-N 1 0 388.327 3.994 20 30 GHEDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccccc3/C=N/c3ccccc3O)C[C@H]1[N@@H+]2C ZINC001229934552 1033799161 /nfs/dbraw/zinc/79/91/61/1033799161.db2.gz CKATYPNVZGCDMI-BTPFUNMLSA-N 1 0 394.471 3.688 20 30 GHEDRO COc1cccc(C2(Cc3nc(-c4cc(F)cc(C#N)c4)no3)CC[NH2+]CC2)c1 ZINC001206368612 1033816921 /nfs/dbraw/zinc/81/69/21/1033816921.db2.gz LJBHBXBIKRVPNS-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO Cc1ccc(C2(Cc3nc(-c4cc(F)cc(C#N)c4)no3)CC[NH2+]CC2)cc1 ZINC001206385019 1033822412 /nfs/dbraw/zinc/82/24/12/1033822412.db2.gz ROSVKEYNRXWLCH-UHFFFAOYSA-N 1 0 376.435 3.920 20 30 GHEDRO N#Cc1ccc2c(c1)CCN(C(=O)c1c(Cl)cc3c(c1Cl)CC[NH2+]C3)C2 ZINC001157936410 1033827042 /nfs/dbraw/zinc/82/70/42/1033827042.db2.gz FORFMIDEFLJIFE-UHFFFAOYSA-N 1 0 386.282 3.709 20 30 GHEDRO C=CC[C@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001230192331 1033938156 /nfs/dbraw/zinc/93/81/56/1033938156.db2.gz VDMVOFHWQGHXBT-KSEOMHKRSA-N 1 0 385.552 3.521 20 30 GHEDRO CC1(C[NH3+])CN(Cc2cc(Oc3ccc(C#N)cc3)ccc2Br)C1 ZINC001206737736 1033963841 /nfs/dbraw/zinc/96/38/41/1033963841.db2.gz QSOWCJVMRHOFJY-UHFFFAOYSA-N 1 0 386.293 3.894 20 30 GHEDRO C[C@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001158229936 1033973377 /nfs/dbraw/zinc/97/33/77/1033973377.db2.gz JVCLSQNRWVWGHR-QGZVFWFLSA-N 1 0 383.442 3.631 20 30 GHEDRO COc1ccnc(N(c2ncc(C)cc2C#C[Si](C)(C)C)C2CC[NH2+]CC2)c1 ZINC001158322386 1034020986 /nfs/dbraw/zinc/02/09/86/1034020986.db2.gz BRQPTRBGIOOHGK-UHFFFAOYSA-N 1 0 394.595 3.913 20 30 GHEDRO Cc1ncc(C#N)c(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)n1 ZINC001158418082 1034072498 /nfs/dbraw/zinc/07/24/98/1034072498.db2.gz MPCVCSWYOSZDOK-UHFFFAOYSA-N 1 0 395.510 3.958 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)n1 ZINC001158729728 1034249925 /nfs/dbraw/zinc/24/99/25/1034249925.db2.gz LGDLZZXSWAWWEH-PCQWDSEFSA-N 1 0 377.901 3.900 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H]1CCCCN1C(=O)OC(C)(C)C)C2 ZINC001207311332 1034259302 /nfs/dbraw/zinc/25/93/02/1034259302.db2.gz DAYORXPIADIVRC-DXIQSLLYSA-N 1 0 394.556 3.602 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207322717 1034271986 /nfs/dbraw/zinc/27/19/86/1034271986.db2.gz CKJJKCMBCHRLBN-UHFFFAOYSA-N 1 0 379.298 3.551 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001230917936 1034287136 /nfs/dbraw/zinc/28/71/36/1034287136.db2.gz RQJLXZPTKBGPMB-WIYYLYMNSA-N 1 0 376.504 3.577 20 30 GHEDRO C=CCCC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1 ZINC001230928666 1034293504 /nfs/dbraw/zinc/29/35/04/1034293504.db2.gz SKYXCGJJMDCUJB-UHFFFAOYSA-N 1 0 384.568 3.764 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001207374148 1034316908 /nfs/dbraw/zinc/31/69/08/1034316908.db2.gz FDVJKKVTVPEFAA-UYAOXDASSA-N 1 0 385.508 3.801 20 30 GHEDRO COC(=O)C[C@H](C#N)c1ccc(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)cc1 ZINC001230992557 1034329924 /nfs/dbraw/zinc/32/99/24/1034329924.db2.gz ANFVBROOBDITLN-QFUCXCTJSA-N 1 0 393.487 3.856 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN(c2ccc([C@H]3CCCC[N@H+]3CCC)cn2)C1 ZINC001158914092 1034334258 /nfs/dbraw/zinc/33/42/58/1034334258.db2.gz AZXQVYQCGXKENV-VQTJNVASSA-N 1 0 386.540 3.900 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)cc1C#N ZINC001231042318 1034359946 /nfs/dbraw/zinc/35/99/46/1034359946.db2.gz JDQXBALNPMJWSB-HTAPYJJXSA-N 1 0 378.472 3.563 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCc1ccccc1OC)CC2 ZINC001207453595 1034375294 /nfs/dbraw/zinc/37/52/94/1034375294.db2.gz ZNASEWVRKGXGAZ-UHFFFAOYSA-N 1 0 381.520 3.605 20 30 GHEDRO N#Cc1cc(N2CCC3(CC2)[NH2+]Cc2ccccc23)nc2ccc([N+](=O)[O-])cc12 ZINC001159030400 1034389390 /nfs/dbraw/zinc/38/93/90/1034389390.db2.gz KYWUMTMAHJJWTC-UHFFFAOYSA-N 1 0 385.427 3.614 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](CCc1cccc(Br)c1)CCC2 ZINC001207506693 1034410050 /nfs/dbraw/zinc/41/00/50/1034410050.db2.gz LDJNMKAJEODDNO-UHFFFAOYSA-N 1 0 390.325 3.797 20 30 GHEDRO C=CCSCCNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001207548057 1034443961 /nfs/dbraw/zinc/44/39/61/1034443961.db2.gz RMTBCHCGTFBBLL-UHFFFAOYSA-N 1 0 376.551 3.931 20 30 GHEDRO N#Cc1cnc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c(I)c1 ZINC001159214933 1034489426 /nfs/dbraw/zinc/48/94/26/1034489426.db2.gz FPYBIKJMERTGRB-OAHLLOKOSA-N 1 0 390.228 3.726 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001207639441 1034503054 /nfs/dbraw/zinc/50/30/54/1034503054.db2.gz PYWUJDGSWNTDKA-QHCPKHFHSA-N 1 0 398.551 3.990 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)c1C ZINC001277509984 1034544101 /nfs/dbraw/zinc/54/41/01/1034544101.db2.gz LIUSNWDSWFKNRI-LJQANCHMSA-N 1 0 377.326 3.901 20 30 GHEDRO COC(=O)c1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)ccc1Br ZINC001159431767 1034593415 /nfs/dbraw/zinc/59/34/15/1034593415.db2.gz QPTMUSPBEZIDIT-UHFFFAOYSA-N 1 0 386.249 3.538 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207823607 1034600991 /nfs/dbraw/zinc/60/09/91/1034600991.db2.gz UBPKIXWRYIWRHE-MTSZKFMLSA-N 1 0 383.483 3.891 20 30 GHEDRO Cc1cc(I)ccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159477684 1034612982 /nfs/dbraw/zinc/61/29/82/1034612982.db2.gz MUAASQVMPMAFAP-UHFFFAOYSA-N 1 0 389.240 3.902 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC001207898520 1034643000 /nfs/dbraw/zinc/64/30/00/1034643000.db2.gz AMIDRUJDNJSIFX-TUNNFDKTSA-N 1 0 380.573 3.630 20 30 GHEDRO COc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(C(F)(F)F)c2)cc1C#N ZINC001159574426 1034673657 /nfs/dbraw/zinc/67/36/57/1034673657.db2.gz QYWLQGKCUHDKEY-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OC(C)C)nc3)CC2)C1 ZINC001231532716 1034686498 /nfs/dbraw/zinc/68/64/98/1034686498.db2.gz YRGADXFXDPTMJF-UHFFFAOYSA-N 1 0 387.524 3.869 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1)c1ccccn1 ZINC001231578043 1034727830 /nfs/dbraw/zinc/72/78/30/1034727830.db2.gz HJXOLIVZCQAEJV-UHFFFAOYSA-N 1 0 395.506 3.876 20 30 GHEDRO N#Cc1cc(Nc2cncc(OCc3ccccc3)c2)ccc1N1CC[NH2+]CC1 ZINC001159743022 1034731013 /nfs/dbraw/zinc/73/10/13/1034731013.db2.gz RDWBTCKHSFYAHT-UHFFFAOYSA-N 1 0 385.471 3.685 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001208118075 1034745128 /nfs/dbraw/zinc/74/51/28/1034745128.db2.gz CSLJBVXDMLLECR-ZOYNNKBVSA-N 1 0 392.584 3.633 20 30 GHEDRO C=CCOc1cccc(CN2Cc3cn(CC4CC4)nc3[C@H](COCC)C2)c1 ZINC001231622224 1034778926 /nfs/dbraw/zinc/77/89/26/1034778926.db2.gz SYRRJVXMYPHZFM-NRFANRHFSA-N 1 0 381.520 3.994 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC001208215701 1034806082 /nfs/dbraw/zinc/80/60/82/1034806082.db2.gz NRDQGPKCLWSNAL-CDNPAEQRSA-N 1 0 387.520 3.668 20 30 GHEDRO N#CCOc1ccc(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)cc1 ZINC001159965513 1034806906 /nfs/dbraw/zinc/80/69/06/1034806906.db2.gz YPDHMEZOYGJPTB-UHFFFAOYSA-N 1 0 390.409 3.757 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001208224457 1034813060 /nfs/dbraw/zinc/81/30/60/1034813060.db2.gz YZBMUPMAIHQRNZ-LADGPHEKSA-N 1 0 385.548 3.809 20 30 GHEDRO C#Cc1cccc(CN2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)c1 ZINC001231655465 1034813515 /nfs/dbraw/zinc/81/35/15/1034813515.db2.gz ORURSPWWLFVJNK-UHFFFAOYSA-N 1 0 375.516 3.759 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CC2)C(=O)Nc2cc(Br)ccc23)c1 ZINC001231657337 1034814582 /nfs/dbraw/zinc/81/45/82/1034814582.db2.gz JBBALDBCYRBDSB-UHFFFAOYSA-N 1 0 395.300 3.916 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc4cc[nH]c4cn3)C[C@@H]2c2ccccc2)C1=O ZINC001231664829 1034820256 /nfs/dbraw/zinc/82/02/56/1034820256.db2.gz GGIZBIYHTSAHMF-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO Cc1ccc(O)c(C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)n1 ZINC001231673137 1034825009 /nfs/dbraw/zinc/82/50/09/1034825009.db2.gz CVWLNTBPJGSPCL-UHFFFAOYSA-N 1 0 386.293 3.916 20 30 GHEDRO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208405874 1034885306 /nfs/dbraw/zinc/88/53/06/1034885306.db2.gz NCRRQPJQXHBKOF-FUHWJXTLSA-N 1 0 378.476 3.599 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC001208475990 1034908737 /nfs/dbraw/zinc/90/87/37/1034908737.db2.gz FWQOCHPXDMONMU-GJZGRUSLSA-N 1 0 384.430 3.963 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC001231817259 1034926637 /nfs/dbraw/zinc/92/66/37/1034926637.db2.gz XXLOVVZCPDVUGY-GOSISDBHSA-N 1 0 386.540 3.868 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231819131 1034927452 /nfs/dbraw/zinc/92/74/52/1034927452.db2.gz KGCFECLAOPUMHD-HSZRJFAPSA-N 1 0 380.536 3.570 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc(OC4CCCCC4)nc3)C2)C1=O ZINC001231870985 1034957334 /nfs/dbraw/zinc/95/73/34/1034957334.db2.gz AYRMTLYAVNESAZ-QHCPKHFHSA-N 1 0 383.536 3.794 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3C)C2)C1=O ZINC001276583188 1035011398 /nfs/dbraw/zinc/01/13/98/1035011398.db2.gz UJUVYXXVXXWQQO-IBGZPJMESA-N 1 0 377.326 3.676 20 30 GHEDRO N#Cc1cccc(CCC[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)c1 ZINC001208853687 1035059992 /nfs/dbraw/zinc/05/99/92/1035059992.db2.gz RWISIMCOAVDLHE-DHIUTWEWSA-N 1 0 389.499 3.976 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)cc1 ZINC001208922216 1035090357 /nfs/dbraw/zinc/09/03/57/1035090357.db2.gz DLWCFLNSYFFRKF-UHFFFAOYSA-N 1 0 379.529 3.791 20 30 GHEDRO CC(C)NC(=O)c1ccccc1OC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208926798 1035092152 /nfs/dbraw/zinc/09/21/52/1035092152.db2.gz CFAVQFKNAPOMCM-UHFFFAOYSA-N 1 0 391.515 3.782 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC001208927217 1035093108 /nfs/dbraw/zinc/09/31/08/1035093108.db2.gz TYDJKCLQZFPLPN-RPWUZVMVSA-N 1 0 391.515 3.584 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3nc(Cl)ccc3F)C2)CC1 ZINC001232156012 1035132554 /nfs/dbraw/zinc/13/25/54/1035132554.db2.gz VDOPXHQRTXZYTJ-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(NC3CC[NH+](Cc4ccncc4)CC3)nn2)cc1 ZINC001161100985 1035141199 /nfs/dbraw/zinc/14/11/99/1035141199.db2.gz CYASOCXMEWHGBG-JOCHJYFZSA-N 1 0 398.514 3.912 20 30 GHEDRO C=CCN(CC[N@@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001209020346 1035152113 /nfs/dbraw/zinc/15/21/13/1035152113.db2.gz HDAGDVCFJGBKTM-UHFFFAOYSA-N 1 0 397.560 3.742 20 30 GHEDRO C=CCN(CC[NH+]1CCC(C(=O)c2cnc3ccccc3c2)CC1)C(=O)OCC ZINC001209023574 1035152365 /nfs/dbraw/zinc/15/23/65/1035152365.db2.gz JVDHTGCWFQEPED-UHFFFAOYSA-N 1 0 395.503 3.774 20 30 GHEDRO [NH3+][C@@H](C(=O)N1CCC(C#Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC001161150547 1035159944 /nfs/dbraw/zinc/15/99/44/1035159944.db2.gz JVNRCAOTYRRICB-HXUWFJFHSA-N 1 0 397.316 3.739 20 30 GHEDRO CCCCCCCCCCN(C)C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001161227113 1035184904 /nfs/dbraw/zinc/18/49/04/1035184904.db2.gz OQXQDZXPQXJSDD-INIZCTEOSA-N 1 0 395.510 3.762 20 30 GHEDRO C=CCCCC[NH+]1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)cnc32)CC1 ZINC001209201382 1035206450 /nfs/dbraw/zinc/20/64/50/1035206450.db2.gz ZXLUGSORXQVLOR-UHFFFAOYSA-N 1 0 378.520 3.743 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)C2)cc1 ZINC001161324906 1035208606 /nfs/dbraw/zinc/20/86/06/1035208606.db2.gz UIOHFDNBVCQCHB-ZLNRFVROSA-N 1 0 389.499 3.811 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCCN(C(=O)C[C@H]([NH3+])Cc3ccccc3Cl)C2)cc1 ZINC001161323639 1035208855 /nfs/dbraw/zinc/20/88/55/1035208855.db2.gz AZQLILFKKMHYGI-QUCCMNQESA-N 1 0 397.906 3.542 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CCc3cc(F)c(F)cc3F)C2)C1 ZINC001209250913 1035221131 /nfs/dbraw/zinc/22/11/31/1035221131.db2.gz PUVFQBCMPWDYNW-FQEVSTJZSA-N 1 0 382.426 3.757 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001209357932 1035251859 /nfs/dbraw/zinc/25/18/59/1035251859.db2.gz RMOGWYSENWQABP-KNQAVFIVSA-N 1 0 396.572 3.898 20 30 GHEDRO N#Cc1cnc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)c(F)c1 ZINC001161578100 1035263773 /nfs/dbraw/zinc/26/37/73/1035263773.db2.gz UUYOGUAUOAYGIL-UHFFFAOYSA-N 1 0 378.373 3.844 20 30 GHEDRO C=CCCCCCCCC[NH+]1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001209445543 1035275806 /nfs/dbraw/zinc/27/58/06/1035275806.db2.gz LFPPIWWVSZRZLS-UHFFFAOYSA-N 1 0 385.596 3.880 20 30 GHEDRO Cc1cccc2c(C[N@@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c[nH]c21 ZINC001209490678 1035290731 /nfs/dbraw/zinc/29/07/31/1035290731.db2.gz ORGGCEPJNDVSCB-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(F)c(O)c(OC)c3)C2)CC1 ZINC001209522005 1035302654 /nfs/dbraw/zinc/30/26/54/1035302654.db2.gz SIPUQSPNIGVPJV-UHFFFAOYSA-N 1 0 392.471 3.541 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC001209626290 1035335906 /nfs/dbraw/zinc/33/59/06/1035335906.db2.gz NQXDIXPGFWBOBR-UHFFFAOYSA-N 1 0 392.503 3.605 20 30 GHEDRO C#CC[N@@H+](CCC(C)(C)C(=O)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC001461984943 1069930059 /nfs/dbraw/zinc/93/00/59/1069930059.db2.gz ABUJEWSFFLTOGL-INIZCTEOSA-N 1 0 394.309 3.797 20 30 GHEDRO CCN(CC)c1ccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)cc1 ZINC001248155246 1035581479 /nfs/dbraw/zinc/58/14/79/1035581479.db2.gz OJPZDDQPRVDHMW-LJQANCHMSA-N 1 0 375.476 3.567 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cc(C(F)(F)F)ccc3F)no2)cc1 ZINC001248158256 1035584340 /nfs/dbraw/zinc/58/43/40/1035584340.db2.gz ZXMWUGDNUNAIJY-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO Cc1nc2cc(-c3noc(C[C@@H]([NH3+])Cc4ccc(C#N)cc4)n3)ccc2s1 ZINC001248158863 1035586006 /nfs/dbraw/zinc/58/60/06/1035586006.db2.gz GSZPREYIYVLLES-INIZCTEOSA-N 1 0 375.457 3.639 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cc(C(F)(F)F)ccc2F)no1 ZINC001248179058 1035606572 /nfs/dbraw/zinc/60/65/72/1035606572.db2.gz DAFKIKLEAWINCX-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO Cc1cc(Br)cc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)c1 ZINC001248179005 1035606926 /nfs/dbraw/zinc/60/69/26/1035606926.db2.gz BUPOMAGOIWZGEC-KRWDZBQOSA-N 1 0 397.276 3.792 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(C[C@@H](OCc3cccc(C)n3)CO2)C1 ZINC001248750818 1036108123 /nfs/dbraw/zinc/10/81/23/1036108123.db2.gz WWUNLSNRBOVSPG-RPWUZVMVSA-N 1 0 391.515 3.774 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001248750880 1036108700 /nfs/dbraw/zinc/10/87/00/1036108700.db2.gz ZWNUTSPHELROPK-HSZRJFAPSA-N 1 0 391.515 3.856 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001248751293 1036109928 /nfs/dbraw/zinc/10/99/28/1036109928.db2.gz RJDIGAMQFFHJPT-FYYLOGMGSA-N 1 0 377.488 3.718 20 30 GHEDRO N#CC1(c2cccnc2-c2ccc(CO)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC001243467143 1036157919 /nfs/dbraw/zinc/15/79/19/1036157919.db2.gz OTHMTFCZZMATOQ-UHFFFAOYSA-N 1 0 384.483 3.693 20 30 GHEDRO C[NH+]1CCC(c2ccc(-c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)cc2)CC1 ZINC001243653500 1036238981 /nfs/dbraw/zinc/23/89/81/1036238981.db2.gz XXNZKEGUWOKEIA-IBGZPJMESA-N 1 0 392.503 3.902 20 30 GHEDRO COc1cc2cc(C#N)c(-c3cccc(N4CC[NH+](C)CC4)c3)nc2cc1OC ZINC001243669235 1036245085 /nfs/dbraw/zinc/24/50/85/1036245085.db2.gz OCCCSBMOTJRODC-UHFFFAOYSA-N 1 0 388.471 3.542 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@@H](CO)C2)nc1C1=CC[C@H](C#N)CC1 ZINC001243794086 1036282325 /nfs/dbraw/zinc/28/23/25/1036282325.db2.gz CJVRBHGWUSDPCA-DLBZAZTESA-N 1 0 396.535 3.587 20 30 GHEDRO N#C[C@H]1CC=C(c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)CC1 ZINC001243799601 1036284966 /nfs/dbraw/zinc/28/49/66/1036284966.db2.gz UXFJZBFCMOLPKZ-WMZOPIPTSA-N 1 0 375.476 3.903 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1ccc(C2(C#N)CCOCC2)cc1 ZINC001244159555 1036404297 /nfs/dbraw/zinc/40/42/97/1036404297.db2.gz WRNCFHNXZYIDQD-UHFFFAOYSA-N 1 0 391.515 3.686 20 30 GHEDRO CCn1cc(-c2ccc(OCCC[NH+](C)C)cc2)c2sc(C#N)cc2c1=O ZINC001245340720 1036889402 /nfs/dbraw/zinc/88/94/02/1036889402.db2.gz GSYLTSYWAHMWAF-UHFFFAOYSA-N 1 0 381.501 3.952 20 30 GHEDRO N#Cc1ccccc1Oc1nc(C2=CC[C@H]([NH+]3CCOCC3)CC2)ncc1F ZINC001245426486 1036919814 /nfs/dbraw/zinc/91/98/14/1036919814.db2.gz YHWVEAXJYXMCJV-KRWDZBQOSA-N 1 0 380.423 3.548 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@@H](O)CN[C@@]1(C#N)CC[NH2+]C1 ZINC001245983017 1037108303 /nfs/dbraw/zinc/10/83/03/1037108303.db2.gz QROKZBJOBWQANM-FCHUYYIVSA-N 1 0 381.605 3.910 20 30 GHEDRO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246303025 1037285521 /nfs/dbraw/zinc/28/55/21/1037285521.db2.gz GMLFXYJLUINJMS-QAPCUYQASA-N 1 0 385.335 3.667 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCN[C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246468595 1037420671 /nfs/dbraw/zinc/42/06/71/1037420671.db2.gz ZGYQHICHYKSWSG-CTNGQTDRSA-N 1 0 389.515 3.551 20 30 GHEDRO COc1cc(C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)ccc1C#N ZINC001462201148 1070077947 /nfs/dbraw/zinc/07/79/47/1070077947.db2.gz FARWFIITUVEBEH-UHFFFAOYSA-N 1 0 393.487 3.705 20 30 GHEDRO C#CCOc1ccc(-c2nc3c(cccc3F)n2C2CC[NH2+]CC2)cc1OC ZINC001247022905 1037844481 /nfs/dbraw/zinc/84/44/81/1037844481.db2.gz AFZMCIFWAGCWER-UHFFFAOYSA-N 1 0 379.435 3.788 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=S)Nc3c(F)cccc3F)CC2)cc1 ZINC001247098299 1037914995 /nfs/dbraw/zinc/91/49/95/1037914995.db2.gz PFYARCASQXEYEY-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(SC)nc3)C2)CC1 ZINC001232324485 1038095840 /nfs/dbraw/zinc/09/58/40/1038095840.db2.gz LWJXGPLIIAIOAP-UHFFFAOYSA-N 1 0 375.538 3.804 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)c(Cl)cc1OC)C2 ZINC001232372305 1038146850 /nfs/dbraw/zinc/14/68/50/1038146850.db2.gz HUXKQLJNBPYFKT-SFTDATJTSA-N 1 0 395.927 3.931 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455678 1038240760 /nfs/dbraw/zinc/24/07/60/1038240760.db2.gz DVIZBAOXBJVJFW-HXUWFJFHSA-N 1 0 388.899 3.827 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3OC)C2)C1 ZINC001232496224 1038269444 /nfs/dbraw/zinc/26/94/44/1038269444.db2.gz JXDXPFUMJNRERU-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cncc(Br)c1C)C2 ZINC001232528114 1038293461 /nfs/dbraw/zinc/29/34/61/1038293461.db2.gz KGUYXJPHWYXRNU-MOPGFXCFSA-N 1 0 395.341 3.726 20 30 GHEDRO N#Cc1ccc(C[NH+](Cc2c[nH]c3nccnc23)Cc2ccc(C#N)cc2)cc1 ZINC001232549329 1038313833 /nfs/dbraw/zinc/31/38/33/1038313833.db2.gz XMZXOFGATCGVBB-UHFFFAOYSA-N 1 0 378.439 3.855 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)C2 ZINC001232578777 1038347892 /nfs/dbraw/zinc/34/78/92/1038347892.db2.gz TXJKYKXGIUTDDT-PZJWPPBQSA-N 1 0 393.911 3.700 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)cc1Cl)C2 ZINC001232598314 1038374978 /nfs/dbraw/zinc/37/49/78/1038374978.db2.gz VAFDONKXVJWFOP-FPOVZHCZSA-N 1 0 387.911 3.852 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC001462264059 1070131100 /nfs/dbraw/zinc/13/11/00/1070131100.db2.gz VRXCRAYRGVTERN-XYPHTWIQSA-N 1 0 385.289 3.936 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc(C3=NO[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001247863600 1038434621 /nfs/dbraw/zinc/43/46/21/1038434621.db2.gz CRXPQZYKMNULLM-NRFANRHFSA-N 1 0 384.480 3.942 20 30 GHEDRO N#Cc1cccc(-c2noc(C[C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)n2)c1 ZINC001247889981 1038460081 /nfs/dbraw/zinc/46/00/81/1038460081.db2.gz ZDXYXJRRLUTJLQ-SFHVURJKSA-N 1 0 386.455 3.839 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccc(C#N)s3)CC2)c2ccc(C)cc21 ZINC001232843128 1038593554 /nfs/dbraw/zinc/59/35/54/1038593554.db2.gz IYKZCWKDCSPTSD-HXUWFJFHSA-N 1 0 394.544 3.836 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c(C#N)c1 ZINC001232965431 1038739660 /nfs/dbraw/zinc/73/96/60/1038739660.db2.gz YWZXTPCGGVNTTQ-QFIPXVFZSA-N 1 0 391.515 3.959 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001233081024 1038848537 /nfs/dbraw/zinc/84/85/37/1038848537.db2.gz LFGRWOQMCPGWJA-DNQXCXABSA-N 1 0 391.515 3.850 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)cc1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233084535 1038855616 /nfs/dbraw/zinc/85/56/16/1038855616.db2.gz YDOBIDITTUQBHD-HXUWFJFHSA-N 1 0 387.524 3.715 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)c(Br)c(C)c1)CC2 ZINC001277761904 1038878975 /nfs/dbraw/zinc/87/89/75/1038878975.db2.gz NWVOTDKXIBQNJO-KRWDZBQOSA-N 1 0 391.353 3.970 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001252128630 1038881166 /nfs/dbraw/zinc/88/11/66/1038881166.db2.gz PNDKEBPOMKDESL-NNWRFLSQSA-N 1 0 376.541 3.805 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1C#N ZINC001233102663 1038883114 /nfs/dbraw/zinc/88/31/14/1038883114.db2.gz IZKKWOLJNBEYAJ-FPOVZHCZSA-N 1 0 392.522 3.717 20 30 GHEDRO CN(C)c1ccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)c(F)c1C#N ZINC001233102248 1038883527 /nfs/dbraw/zinc/88/35/27/1038883527.db2.gz UFSJYBXZLAEKAG-UHFFFAOYSA-N 1 0 392.522 3.786 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C(=O)OCC)Cn2nccc2[C@@H]1C ZINC001252132188 1038884712 /nfs/dbraw/zinc/88/47/12/1038884712.db2.gz BPEKCAGSFRZWFO-IPMKNSEASA-N 1 0 379.545 3.551 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001252133640 1038886058 /nfs/dbraw/zinc/88/60/58/1038886058.db2.gz KKSPNQSNADLMAN-FQEVSTJZSA-N 1 0 396.597 3.541 20 30 GHEDRO COC(=O)c1ccc([C@H]2CCCN2Cc2ccc(N(C)C)c(C#N)c2F)cc1 ZINC001233103862 1038886625 /nfs/dbraw/zinc/88/66/25/1038886625.db2.gz OYKUYFXYCZOPNB-LJQANCHMSA-N 1 0 381.451 3.887 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252313832 1038939475 /nfs/dbraw/zinc/93/94/75/1038939475.db2.gz RMYKNURMVISROD-VFVRVIDISA-N 1 0 383.414 3.529 20 30 GHEDRO C[C@](O)(C[N@@H+]1CCC2(CCCC2)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252322349 1038941789 /nfs/dbraw/zinc/94/17/89/1038941789.db2.gz YEVPINJTPMNHCG-SFHVURJKSA-N 1 0 395.425 3.533 20 30 GHEDRO CCCCOC[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001252515046 1039014242 /nfs/dbraw/zinc/01/42/42/1039014242.db2.gz NYLWLWOXDOEJPT-QHCPKHFHSA-N 1 0 377.488 3.610 20 30 GHEDRO C=C[C@@H](C)ONC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001252550542 1039029030 /nfs/dbraw/zinc/02/90/30/1039029030.db2.gz SBUJBBPJAGKMPW-RZFNWQHOSA-N 1 0 379.504 3.850 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]C1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252582343 1039036872 /nfs/dbraw/zinc/03/68/72/1039036872.db2.gz PSVDOEAXTILBPY-FQEVSTJZSA-N 1 0 378.488 3.579 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]C1(c2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252622322 1039052425 /nfs/dbraw/zinc/05/24/25/1039052425.db2.gz RUSJZLMYFSURCD-QGZVFWFLSA-N 1 0 392.515 3.969 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233295353 1039085609 /nfs/dbraw/zinc/08/56/09/1039085609.db2.gz XUXDSXKGHBGANY-UHFFFAOYSA-N 1 0 375.428 3.561 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cn3ccc(Cl)cc3n1)C2 ZINC001233390249 1039218399 /nfs/dbraw/zinc/21/83/99/1039218399.db2.gz OUQJVTYIYVTEJP-ICSRJNTNSA-N 1 0 375.900 3.561 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001252983592 1039310711 /nfs/dbraw/zinc/31/07/11/1039310711.db2.gz XTYGGGIBXZNYGW-IPJJNNNSSA-N 1 0 376.541 3.975 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c(Br)c1)[C@H]2CC ZINC001233435066 1039312801 /nfs/dbraw/zinc/31/28/01/1039312801.db2.gz NAXOYIBKGCEJHQ-YJBOKZPZSA-N 1 0 380.330 3.699 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@H](O)COC[C@H](CC)CCCC)CCO2 ZINC001253001512 1039329127 /nfs/dbraw/zinc/32/91/27/1039329127.db2.gz NPJURBJSDZHNLP-BXXSPATCSA-N 1 0 397.600 3.654 20 30 GHEDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001233452225 1039333420 /nfs/dbraw/zinc/33/34/20/1039333420.db2.gz OJGHLADYBZXZDG-OLZOCXBDSA-N 1 0 375.284 3.638 20 30 GHEDRO CCOC(=O)c1cn2cccc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)c2n1 ZINC001233456507 1039349368 /nfs/dbraw/zinc/34/93/68/1039349368.db2.gz ZXYXWMHBMFWYPW-UHFFFAOYSA-N 1 0 388.471 3.568 20 30 GHEDRO [NH2+]=C(NC[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2)c1ncc[nH]1 ZINC001253082948 1039410256 /nfs/dbraw/zinc/41/02/56/1039410256.db2.gz LJRYPDVAEPSKPX-INIZCTEOSA-N 1 0 387.270 3.727 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](Oc3ccc4cccc(C#N)c4c3)C[C@H]2C1 ZINC001233568375 1039445138 /nfs/dbraw/zinc/44/51/38/1039445138.db2.gz ICBHMOXFEPEEPA-ICSRJNTNSA-N 1 0 393.487 3.784 20 30 GHEDRO CC(C)(S)C[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253226124 1039483355 /nfs/dbraw/zinc/48/33/55/1039483355.db2.gz GZRMNENRTXMYPT-SFHVURJKSA-N 1 0 398.528 3.851 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)sc1C ZINC001233664548 1039520633 /nfs/dbraw/zinc/52/06/33/1039520633.db2.gz JLNUUVWCBOPSTP-JOCHJYFZSA-N 1 0 396.560 3.751 20 30 GHEDRO N#Cc1nc2cc(OC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2s1 ZINC001233703835 1039551718 /nfs/dbraw/zinc/55/17/18/1039551718.db2.gz HFKLDIGZAJNZQV-SFHVURJKSA-N 1 0 379.485 3.838 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC001253565624 1039706888 /nfs/dbraw/zinc/70/68/88/1039706888.db2.gz QUWVKKFBRZWFCJ-QFIPXVFZSA-N 1 0 397.648 3.801 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2c1cccc2C ZINC001253602176 1039717260 /nfs/dbraw/zinc/71/72/60/1039717260.db2.gz DIZDDQAKMKDTMG-IEBWSBKVSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253605878 1039717810 /nfs/dbraw/zinc/71/78/10/1039717810.db2.gz ACIQVUAKEGMXNL-OAHLLOKOSA-N 1 0 380.916 3.703 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CC2(COC2)C1 ZINC001253615116 1039724584 /nfs/dbraw/zinc/72/45/84/1039724584.db2.gz BYSJPQRMGUAZOJ-OAQYLSRUSA-N 1 0 385.589 3.634 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001253614650 1039725112 /nfs/dbraw/zinc/72/51/12/1039725112.db2.gz SDVFCMIVYWJBIH-VABKMULXSA-N 1 0 398.632 3.690 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC1(O)CCC1 ZINC001253616911 1039728464 /nfs/dbraw/zinc/72/84/64/1039728464.db2.gz JWHBJNRQXOLARW-NRFANRHFSA-N 1 0 387.605 3.806 20 30 GHEDRO Cc1cc(Br)cc(C#N)c1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001234011693 1039761178 /nfs/dbraw/zinc/76/11/78/1039761178.db2.gz ASBIYDOMPSTMCL-CALCHBBNSA-N 1 0 379.298 3.651 20 30 GHEDRO CCCCCCC[N@H+](CC)C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253871983 1039872752 /nfs/dbraw/zinc/87/27/52/1039872752.db2.gz XMXKPDVBUPIAAV-VQTJNVASSA-N 1 0 380.483 3.799 20 30 GHEDRO OC1(C[NH+]2CCC(C#Cc3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254041005 1039970213 /nfs/dbraw/zinc/97/02/13/1039970213.db2.gz GSFQVGNBELCEQK-UHFFFAOYSA-N 1 0 388.555 3.777 20 30 GHEDRO N#Cc1c(Br)nccc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001234424892 1040024256 /nfs/dbraw/zinc/02/42/56/1040024256.db2.gz BHTUMHRZJVGXCC-UHFFFAOYSA-N 1 0 386.293 3.802 20 30 GHEDRO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3Cl)C2)C1=O ZINC001277867069 1040147170 /nfs/dbraw/zinc/14/71/70/1040147170.db2.gz QREBNJCFNYGQAG-SFHVURJKSA-N 1 0 384.282 3.861 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(NC(=O)N3CCCC3)CC2)CC1 ZINC001254358988 1040191308 /nfs/dbraw/zinc/19/13/08/1040191308.db2.gz DNLJBJVHTJPZPD-UHFFFAOYSA-N 1 0 398.526 3.799 20 30 GHEDRO C=CCO[C@@H]1CCN(CC(=O)N[C@H](c2cccs2)c2ccc(CC)cc2)C1 ZINC001254559299 1040330225 /nfs/dbraw/zinc/33/02/25/1040330225.db2.gz ZHYUEGPDAJPVPO-KNQAVFIVSA-N 1 0 384.545 3.793 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)OC)C1 ZINC001462460353 1070269343 /nfs/dbraw/zinc/26/93/43/1070269343.db2.gz KUNLQQGQQRODRX-CYBMUJFWSA-N 1 0 392.286 3.811 20 30 GHEDRO COC(=O)C(C[NH2+][C@H]1CC[C@@H](C#N)C1)(Cc1ccccc1)Cc1ccccc1 ZINC001254647889 1040418566 /nfs/dbraw/zinc/41/85/66/1040418566.db2.gz WOIXZFCRJOZPSN-YADHBBJMSA-N 1 0 376.500 3.913 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC001254717914 1040478343 /nfs/dbraw/zinc/47/83/43/1040478343.db2.gz VWBAXTJNRDVYOX-UHFFFAOYSA-N 1 0 391.537 3.658 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([N@@H+]3CCC[C@@H](CC#N)C3)CC2)C1 ZINC001254726054 1040483502 /nfs/dbraw/zinc/48/35/02/1040483502.db2.gz MLXFHRZTIFBIRR-XPQZIERPSA-N 1 0 377.529 3.561 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235004654 1040497159 /nfs/dbraw/zinc/49/71/59/1040497159.db2.gz APVOWTQOYDQCSI-HSZRJFAPSA-N 1 0 377.488 3.553 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnc(C)o4)cc3)C2)C1 ZINC001235043426 1040536666 /nfs/dbraw/zinc/53/66/66/1040536666.db2.gz DTRRVODFFXNNNV-QFIPXVFZSA-N 1 0 396.491 3.656 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235084634 1040570984 /nfs/dbraw/zinc/57/09/84/1040570984.db2.gz AJVSMFFBBGYLFN-UHFFFAOYSA-N 1 0 379.479 3.720 20 30 GHEDRO C=C[C@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001255018192 1040731787 /nfs/dbraw/zinc/73/17/87/1040731787.db2.gz CKFVNGVSXGQGMQ-LLVKDONJSA-N 1 0 381.226 3.908 20 30 GHEDRO CSc1nc(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)ccc1C#N ZINC001278839797 1040768854 /nfs/dbraw/zinc/76/88/54/1040768854.db2.gz PSIQZJOXYOMXJV-UHFFFAOYSA-N 1 0 384.471 3.525 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001255110255 1040793936 /nfs/dbraw/zinc/79/39/36/1040793936.db2.gz IIFUFFUQQPXCKK-QFIPXVFZSA-N 1 0 397.563 3.762 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(CCC(F)(F)F)C3=O)CC2)s1 ZINC001277944632 1040928452 /nfs/dbraw/zinc/92/84/52/1040928452.db2.gz VRPREUNJTAHBGS-KRWDZBQOSA-N 1 0 385.455 3.777 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC001235475753 1040953206 /nfs/dbraw/zinc/95/32/06/1040953206.db2.gz MZPOINKKKWJRPH-VXKWHMMOSA-N 1 0 375.516 3.961 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCC[C@@H](C(=O)OCC)C3)CC2)C1 ZINC001255358279 1040960042 /nfs/dbraw/zinc/96/00/42/1040960042.db2.gz UGWFUSVPWYPRDQ-MOPGFXCFSA-N 1 0 392.540 3.609 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001235515818 1040971722 /nfs/dbraw/zinc/97/17/22/1040971722.db2.gz CFDNFLXXTXKFPH-VWLOTQADSA-N 1 0 396.494 3.884 20 30 GHEDRO N#Cc1ccc(-c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255486936 1041086432 /nfs/dbraw/zinc/08/64/32/1041086432.db2.gz MHQURBAWXXEGAR-QGZVFWFLSA-N 1 0 375.388 3.506 20 30 GHEDRO C[C@@H](CC(F)(F)F)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255652096 1041192618 /nfs/dbraw/zinc/19/26/18/1041192618.db2.gz FKHNZHRVIISYOD-QFBILLFUSA-N 1 0 381.442 3.818 20 30 GHEDRO N#Cc1cccc(CCCN2CC[NH2+][C@H](c3cccc(Br)c3)C2)c1 ZINC001235795108 1041293421 /nfs/dbraw/zinc/29/34/21/1041293421.db2.gz NKFQRMCHYNHTHN-FQEVSTJZSA-N 1 0 384.321 3.900 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)C1CCCCC1 ZINC001256091677 1041520625 /nfs/dbraw/zinc/52/06/25/1041520625.db2.gz RJTHZHQTDLYKRL-UHFFFAOYSA-N 1 0 388.556 3.900 20 30 GHEDRO CN1CCC([NH2+]Cc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)CC1 ZINC001256197174 1041642245 /nfs/dbraw/zinc/64/22/45/1041642245.db2.gz AEBLZIVDMKJQCA-UHFFFAOYSA-N 1 0 399.498 3.991 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236293038 1041661969 /nfs/dbraw/zinc/66/19/69/1041661969.db2.gz NRKQBYZCXJUCRG-DNVCBOLYSA-N 1 0 384.277 3.517 20 30 GHEDRO CN(CCC#N)c1ccc(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)cc1 ZINC001236357984 1041681329 /nfs/dbraw/zinc/68/13/29/1041681329.db2.gz UKWCCEVPGYWLPL-QFIPXVFZSA-N 1 0 380.511 3.930 20 30 GHEDRO C[C@@H](Cc1ccccn1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001256413926 1041723497 /nfs/dbraw/zinc/72/34/97/1041723497.db2.gz CREBOGJOEIYCQA-RDPSFJRHSA-N 1 0 390.531 3.503 20 30 GHEDRO N#Cc1ccc(F)c(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)c1 ZINC001236497485 1041740647 /nfs/dbraw/zinc/74/06/47/1041740647.db2.gz LOQHJYDAICGKOY-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)C2 ZINC001236768435 1041880815 /nfs/dbraw/zinc/88/08/15/1041880815.db2.gz IBJKHXWXBIJKSU-FPOVZHCZSA-N 1 0 393.911 3.700 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(C)cc(OC)cc3O)CC2)C1 ZINC001236817026 1041914913 /nfs/dbraw/zinc/91/49/13/1041914913.db2.gz BPVJZIWRYRSURE-UHFFFAOYSA-N 1 0 388.508 3.710 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(F)c(N3CCOCC3)c2)CC1 ZINC001236960334 1041969950 /nfs/dbraw/zinc/96/99/50/1041969950.db2.gz IIWZHKWDDRTYNA-UHFFFAOYSA-N 1 0 395.478 3.577 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(F)c(N4CCOCC4)c3)CC2)cc1 ZINC001236966793 1041972187 /nfs/dbraw/zinc/97/21/87/1041972187.db2.gz JWIDJFHVUQOIMX-UHFFFAOYSA-N 1 0 379.479 3.914 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(F)c(N4CCOCC4)c3)C2)cc1 ZINC001236971021 1041973031 /nfs/dbraw/zinc/97/30/31/1041973031.db2.gz XIOWJEFZAJLWIE-NRFANRHFSA-N 1 0 395.478 3.577 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cncc(-c4ccc(F)cc4)c3)C2)C1=O ZINC001236999651 1041985279 /nfs/dbraw/zinc/98/52/79/1041985279.db2.gz JFRCJTSOZPUQOT-HSZRJFAPSA-N 1 0 379.479 3.888 20 30 GHEDRO N#Cc1cc(CN2CCC3(CC2)[NH2+]Cc2ccccc23)ccc1Br ZINC001237362825 1042170965 /nfs/dbraw/zinc/17/09/65/1042170965.db2.gz ABMSQCQLVULJOK-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c2cc(C#N)ccc21 ZINC001237467239 1042220414 /nfs/dbraw/zinc/22/04/14/1042220414.db2.gz PDEUHZYJVIFCHN-NZQKXSOJSA-N 1 0 379.504 3.600 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c2cc(C#N)ccc21 ZINC001237469611 1042221790 /nfs/dbraw/zinc/22/17/90/1042221790.db2.gz WLDPZBXAHNIELX-HSZRJFAPSA-N 1 0 394.519 3.883 20 30 GHEDRO Cn1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c2cc(C#N)ccc21 ZINC001237471951 1042222789 /nfs/dbraw/zinc/22/27/89/1042222789.db2.gz KWEDRHJTRNGJBM-UHFFFAOYSA-N 1 0 398.308 3.846 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c2cc(C#N)ccc21 ZINC001237471046 1042222800 /nfs/dbraw/zinc/22/28/00/1042222800.db2.gz MZJXBJJUJDMPCN-ZDUSSCGKSA-N 1 0 389.381 3.831 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c2cc(C#N)ccc21 ZINC001237470996 1042222995 /nfs/dbraw/zinc/22/29/95/1042222995.db2.gz MEHBUJTXDILJNF-UHFFFAOYSA-N 1 0 376.479 3.897 20 30 GHEDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473182 1042223689 /nfs/dbraw/zinc/22/36/89/1042223689.db2.gz UVWPMZNWCDTIGQ-IBGZPJMESA-N 1 0 385.508 3.620 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(C#N)c(F)cc3F)C[C@H]21 ZINC001237527933 1042251648 /nfs/dbraw/zinc/25/16/48/1042251648.db2.gz YJKLJWOKRHHXCA-AYPBNUJASA-N 1 0 396.485 3.964 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cn2cc(C#N)ccc2n1 ZINC001237616716 1042283275 /nfs/dbraw/zinc/28/32/75/1042283275.db2.gz GEVPHODKDCSQBA-WDSOQIARSA-N 1 0 380.492 3.681 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001237747539 1042351196 /nfs/dbraw/zinc/35/11/96/1042351196.db2.gz CWMQVAODTLTDLQ-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001237751283 1042353355 /nfs/dbraw/zinc/35/33/55/1042353355.db2.gz UEXHFZNEVWIYRV-QFIPXVFZSA-N 1 0 394.906 3.764 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C2 ZINC001237754100 1042355141 /nfs/dbraw/zinc/35/51/41/1042355141.db2.gz SESOWHLRMVYWNU-ALXJQNPVSA-N 1 0 375.900 3.947 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cccc(N4CCCCC4)n3)C2)c1 ZINC001238003286 1042454525 /nfs/dbraw/zinc/45/45/25/1042454525.db2.gz JNCMWESTBMKUEQ-JOCHJYFZSA-N 1 0 376.504 3.987 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c(Cl)c1 ZINC001238081947 1042484772 /nfs/dbraw/zinc/48/47/72/1042484772.db2.gz CWQPVTLYDDUVPL-LJQANCHMSA-N 1 0 383.879 3.809 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(C#N)cc2Cl)CCC[C@]12CCC(=O)N2CCOC ZINC001238082347 1042485293 /nfs/dbraw/zinc/48/52/93/1042485293.db2.gz IWTIPRWWLJXAOU-FPOVZHCZSA-N 1 0 389.927 3.594 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c(Cl)c1 ZINC001238084895 1042486392 /nfs/dbraw/zinc/48/63/92/1042486392.db2.gz WUZSZZWUSPZTHY-HMXCVIKNSA-N 1 0 383.879 3.808 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)C1 ZINC001238172379 1042508374 /nfs/dbraw/zinc/50/83/74/1042508374.db2.gz IENQDMPCPFTPPU-UHFFFAOYSA-N 1 0 387.524 3.708 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)ccc1C#N ZINC001238407809 1042586871 /nfs/dbraw/zinc/58/68/71/1042586871.db2.gz YPLZUOTYYIILGG-UHFFFAOYSA-N 1 0 395.528 3.757 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cnc(OCCCC)c(C)c1)CC2 ZINC001238498429 1042620352 /nfs/dbraw/zinc/62/03/52/1042620352.db2.gz VHOYKGBYPCBLHF-UHFFFAOYSA-N 1 0 387.524 3.789 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)ccc1C#N ZINC001238761560 1042718361 /nfs/dbraw/zinc/71/83/61/1042718361.db2.gz DTXNYTYDGRIAKT-FQEVSTJZSA-N 1 0 395.478 3.857 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)ccc1C#N ZINC001238772466 1042722369 /nfs/dbraw/zinc/72/23/69/1042722369.db2.gz PSNUWRSZFUVZIW-LJQANCHMSA-N 1 0 377.463 3.880 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)ccc1C#N ZINC001238774745 1042722807 /nfs/dbraw/zinc/72/28/07/1042722807.db2.gz LIFUVLYJDVKDER-WXFUMESZSA-N 1 0 391.515 3.854 20 30 GHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCC3(CCCC[NH2+]C3)CCC2)c1 ZINC001238994032 1042756198 /nfs/dbraw/zinc/75/61/98/1042756198.db2.gz ANETULUDLBJNLG-UHFFFAOYSA-N 1 0 395.956 3.536 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2c(O)cccc2N2CC[NH2+]CC2)c1 ZINC001239196349 1042784571 /nfs/dbraw/zinc/78/45/71/1042784571.db2.gz LTMSPMRUWWIXDB-UHFFFAOYSA-N 1 0 394.519 3.892 20 30 GHEDRO O=C(NC[C@@H]1CC[NH2+]C[C@H]1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239226248 1042790453 /nfs/dbraw/zinc/79/04/53/1042790453.db2.gz AAAZHTJAKWUBNB-QPUJVOFHSA-N 1 0 387.299 3.793 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001239236987 1042793258 /nfs/dbraw/zinc/79/32/58/1042793258.db2.gz MTLQVFFLMAOPER-UHFFFAOYSA-N 1 0 392.547 3.864 20 30 GHEDRO N#Cc1cccc(NC(=O)NCC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)c1 ZINC001239244539 1042795574 /nfs/dbraw/zinc/79/55/74/1042795574.db2.gz AGEPINFNCNHOOA-UHFFFAOYSA-N 1 0 382.895 3.946 20 30 GHEDRO CCCCCCCNC(=O)NCC1(Cc2ccccc2OC)CC[NH2+]CC1 ZINC001239246489 1042796285 /nfs/dbraw/zinc/79/62/85/1042796285.db2.gz AHDRMWNRTFCLAM-UHFFFAOYSA-N 1 0 375.557 3.877 20 30 GHEDRO CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=S)NCC[NH3+] ZINC001239340547 1042810193 /nfs/dbraw/zinc/81/01/93/1042810193.db2.gz DFLPLXBNDBSDGU-UHFFFAOYSA-N 1 0 392.532 3.575 20 30 GHEDRO CCCCCCCCCNC(=S)Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001239342655 1042810634 /nfs/dbraw/zinc/81/06/34/1042810634.db2.gz JAOBJIVKPHTTNW-UHFFFAOYSA-N 1 0 390.597 3.769 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001239378540 1042816565 /nfs/dbraw/zinc/81/65/65/1042816565.db2.gz BJKCFJWIMYYYBF-AWEZNQCLSA-N 1 0 390.336 3.507 20 30 GHEDRO CCCCNC(=O)c1cccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001240087572 1042884987 /nfs/dbraw/zinc/88/49/87/1042884987.db2.gz LUHNGEPSXHKEHX-UHFFFAOYSA-N 1 0 377.488 3.886 20 30 GHEDRO CN1CC[NH+](Cc2cccc(-c3cccc(C4(C#N)CCOCC4)c3)c2)CC1 ZINC001240303756 1042919750 /nfs/dbraw/zinc/91/97/50/1042919750.db2.gz LQSDATQIOYCGIX-UHFFFAOYSA-N 1 0 375.516 3.673 20 30 GHEDRO N#CC1(c2cccnc2-c2ccc3ncnn3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001240355815 1042922864 /nfs/dbraw/zinc/92/28/64/1042922864.db2.gz QCHOKGHKIZTWCT-UHFFFAOYSA-N 1 0 394.482 3.849 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3ccc([C@H](C#N)c4ccccc4F)nn3)cc2)CC1 ZINC001240849531 1042958482 /nfs/dbraw/zinc/95/84/82/1042958482.db2.gz OLWDLKFMAPPIHT-HXUWFJFHSA-N 1 0 387.462 3.690 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC001291071351 1043063665 /nfs/dbraw/zinc/06/36/65/1043063665.db2.gz ZXIHUKALUVNSTN-HLIPFELVSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001291097682 1043077633 /nfs/dbraw/zinc/07/76/33/1043077633.db2.gz ZOZYMTOVEBEVDJ-MOPGFXCFSA-N 1 0 397.571 3.677 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001291429521 1043248788 /nfs/dbraw/zinc/24/87/88/1043248788.db2.gz LWOCAGXXHREGKK-SJLPKXTDSA-N 1 0 395.555 3.882 20 30 GHEDRO N#CCc1ccc(OCc2cccc(NC(=O)CC[N@H+]3CC[C@H](F)C3)c2)cc1 ZINC001291641853 1043369514 /nfs/dbraw/zinc/36/95/14/1043369514.db2.gz UYIWMIYANQLZLT-IBGZPJMESA-N 1 0 381.451 3.704 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256526035 1043453448 /nfs/dbraw/zinc/45/34/48/1043453448.db2.gz HZYSGTJSVUBYAP-QDSKXPNFSA-N 1 0 392.543 3.970 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCN(Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256544894 1043504239 /nfs/dbraw/zinc/50/42/39/1043504239.db2.gz PTIGSFYSNZIJGR-IFMALSPDSA-N 1 0 381.564 3.683 20 30 GHEDRO C[C@H](Cc1ccncc1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001256741909 1043645018 /nfs/dbraw/zinc/64/50/18/1043645018.db2.gz MDSPFMJBMAWWOC-HYBUGGRVSA-N 1 0 390.531 3.503 20 30 GHEDRO CCc1ccc(C#CC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC001292347154 1043700705 /nfs/dbraw/zinc/70/07/05/1043700705.db2.gz BDPXEWDYRQFFHL-UHFFFAOYSA-N 1 0 390.527 3.638 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001292457635 1043743283 /nfs/dbraw/zinc/74/32/83/1043743283.db2.gz IUTDRHOQTZMZBF-XLIONFOSSA-N 1 0 380.540 3.588 20 30 GHEDRO CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC001256951179 1043769929 /nfs/dbraw/zinc/76/99/29/1043769929.db2.gz ZHKMVVSLXSEMRJ-XBMUEBEBSA-N 1 0 386.540 3.917 20 30 GHEDRO Cc1cc(=O)oc2ccc(NC(=O)[C@@H]([NH2+]C3CCC(C#N)CC3)C(C)C)cc12 ZINC001256963372 1043774444 /nfs/dbraw/zinc/77/44/44/1043774444.db2.gz HKQGNVHADIVCIG-BUNACBEFSA-N 1 0 381.476 3.737 20 30 GHEDRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C1CCC(C#N)CC1)CC2 ZINC001256963251 1043774640 /nfs/dbraw/zinc/77/46/40/1043774640.db2.gz DRPGRTLFHOFGFJ-VTLFHKLASA-N 1 0 395.547 3.566 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257011165 1043798431 /nfs/dbraw/zinc/79/84/31/1043798431.db2.gz WWULJNJVOOGYLY-XPJNUEMQSA-N 1 0 399.535 3.546 20 30 GHEDRO CCN(C)c1ncnc2c1CC[N@@H+](C1CCC(c3ccc(C#N)cc3)CC1)CC2 ZINC001257018374 1043803991 /nfs/dbraw/zinc/80/39/91/1043803991.db2.gz QYEOOCIDNVZXOB-UHFFFAOYSA-N 1 0 389.547 3.931 20 30 GHEDRO N#Cc1ccc(C2CCC([N@@H+]3CCc4onc(Cn5cccn5)c4C3)CC2)cc1 ZINC001257019973 1043805075 /nfs/dbraw/zinc/80/50/75/1043805075.db2.gz QAMFBFHSYXCERD-UHFFFAOYSA-N 1 0 387.487 3.876 20 30 GHEDRO N#Cc1ccc(C2CCC(N(c3ncc(F)cn3)C3CC[NH2+]CC3)CC2)cc1 ZINC001257021763 1043806221 /nfs/dbraw/zinc/80/62/21/1043806221.db2.gz AWJVWWVMCSTOBK-UHFFFAOYSA-N 1 0 379.483 3.772 20 30 GHEDRO COc1cnc(O[C@@H]2CC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)nc1 ZINC001257022665 1043808064 /nfs/dbraw/zinc/80/80/64/1043808064.db2.gz OSBGZYIKNVTCMF-SOAGJPPSSA-N 1 0 378.476 3.536 20 30 GHEDRO CC[C@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257136368 1043882728 /nfs/dbraw/zinc/88/27/28/1043882728.db2.gz XHOZMTWQTQBLFS-PZJWPPBQSA-N 1 0 398.551 3.858 20 30 GHEDRO CCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001292804279 1043885287 /nfs/dbraw/zinc/88/52/87/1043885287.db2.gz CLNGKFPWVWWJHV-CTNGQTDRSA-N 1 0 394.567 3.881 20 30 GHEDRO CCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001292804280 1043885772 /nfs/dbraw/zinc/88/57/72/1043885772.db2.gz CLNGKFPWVWWJHV-FPOVZHCZSA-N 1 0 394.567 3.881 20 30 GHEDRO CCc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001292826647 1043900793 /nfs/dbraw/zinc/90/07/93/1043900793.db2.gz BDRFAIMYTZGKRQ-FQEVSTJZSA-N 1 0 382.556 3.715 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)Cc1ccc(C(=O)OCC)cc1)CC2 ZINC001257161975 1043907845 /nfs/dbraw/zinc/90/78/45/1043907845.db2.gz JDHYKDKZMUDUDQ-DVECYGJZSA-N 1 0 398.547 3.827 20 30 GHEDRO CC(C)[C@@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C ZINC001257174859 1043918422 /nfs/dbraw/zinc/91/84/22/1043918422.db2.gz AZWKQSMKFSGDAI-QUCCMNQESA-N 1 0 387.524 3.951 20 30 GHEDRO COc1ccc2cc(CC[C@@H](C)NC(=[NH2+])c3ccc(C(N)=O)cc3)ccc2c1 ZINC001257276182 1043953384 /nfs/dbraw/zinc/95/33/84/1043953384.db2.gz XOGBSLNJZNYOCD-OAHLLOKOSA-N 1 0 375.472 3.674 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCC(=O)OCCCC)[C@@H]2CC ZINC001257397873 1043984408 /nfs/dbraw/zinc/98/44/08/1043984408.db2.gz WUEZSKDNTQTZPD-JQVVWYNYSA-N 1 0 378.557 3.920 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001293339388 1044124241 /nfs/dbraw/zinc/12/42/41/1044124241.db2.gz LWFMZEDWGRXZSF-QFIPXVFZSA-N 1 0 391.515 3.550 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001293428088 1044172559 /nfs/dbraw/zinc/17/25/59/1044172559.db2.gz XYSPVEPOFDCUCB-QUCCMNQESA-N 1 0 378.524 3.537 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H](CO)[C@@H](O)c3ccc(Br)cc3)C[C@H](C1)C2 ZINC001257887362 1044244564 /nfs/dbraw/zinc/24/45/64/1044244564.db2.gz SEPCOWKTSDYOGV-QBJHELGDSA-N 1 0 380.326 3.568 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C[C@H](C1)C2 ZINC001257888701 1044244727 /nfs/dbraw/zinc/24/47/27/1044244727.db2.gz YPGXDCAKDQCQHJ-SWDXFRIISA-N 1 0 394.556 3.948 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@@H](CO)[C@H](O)c3ccc(Br)cc3)C[C@H](C1)C2 ZINC001257887361 1044244866 /nfs/dbraw/zinc/24/48/66/1044244866.db2.gz SEPCOWKTSDYOGV-PTGUVKCASA-N 1 0 380.326 3.568 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4OC[C@@H](C(=O)NCc5ccco5)C[C@H]4C3)C[C@H](C1)C2 ZINC001257893595 1044248988 /nfs/dbraw/zinc/24/89/88/1044248988.db2.gz TYYUDHRDTRXUAU-SYHNZWIISA-N 1 0 398.547 3.758 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCCC(F)(F)F)C[C@H]32)ccc1Cl ZINC001279076515 1044411055 /nfs/dbraw/zinc/41/10/55/1044411055.db2.gz HXTBBCZKNIPLAQ-XJKSGUPXSA-N 1 0 385.817 3.700 20 30 GHEDRO CC1(C)CCC[C@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)C1 ZINC001258287394 1044492790 /nfs/dbraw/zinc/49/27/90/1044492790.db2.gz ZMSQKOYHPFUIAU-REWPJTCUSA-N 1 0 382.552 3.841 20 30 GHEDRO COC(=O)CC[C@H](C)[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001258370583 1044526608 /nfs/dbraw/zinc/52/66/08/1044526608.db2.gz NHKKYRUGESXWGU-AWEZNQCLSA-N 1 0 379.298 3.648 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001294219403 1044531774 /nfs/dbraw/zinc/53/17/74/1044531774.db2.gz YKCFPJBOQVKDJR-UXHICEINSA-N 1 0 378.524 3.537 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001294543507 1044693266 /nfs/dbraw/zinc/69/32/66/1044693266.db2.gz XVDRAMGRFVEJPH-IRXDYDNUSA-N 1 0 386.499 3.926 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC1 ZINC001294745593 1044780379 /nfs/dbraw/zinc/78/03/79/1044780379.db2.gz SLFKNYQIMBGBFQ-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)CC#N)c1ccco1 ZINC001295400238 1044999765 /nfs/dbraw/zinc/99/97/65/1044999765.db2.gz KQLHNUQGPLHKFU-WMZOPIPTSA-N 1 0 395.511 3.688 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[C@H]2C)C1 ZINC001295505573 1045037004 /nfs/dbraw/zinc/03/70/04/1045037004.db2.gz FFELOELXGMZOJL-SLYNCCJLSA-N 1 0 392.551 3.641 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1 ZINC001295553754 1045050888 /nfs/dbraw/zinc/05/08/88/1045050888.db2.gz LNQGIKRURRMKHD-ZWKOTPCHSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001295553753 1045050949 /nfs/dbraw/zinc/05/09/49/1045050949.db2.gz LNQGIKRURRMKHD-QZTJIDSGSA-N 1 0 380.540 3.783 20 30 GHEDRO CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001295703664 1045109966 /nfs/dbraw/zinc/10/99/66/1045109966.db2.gz FYOIUGPQZURMOA-UHFFFAOYSA-N 1 0 390.535 3.705 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C#N)CCc3ccccc3)c2)CC1 ZINC001296013520 1045221158 /nfs/dbraw/zinc/22/11/58/1045221158.db2.gz MQKPLTYQGYPRDK-OAQYLSRUSA-N 1 0 390.531 3.928 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CCCC2)C1 ZINC001296035369 1045228543 /nfs/dbraw/zinc/22/85/43/1045228543.db2.gz BTRBALQAIRHIJL-FQEVSTJZSA-N 1 0 392.551 3.785 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC001298028577 1045681695 /nfs/dbraw/zinc/68/16/95/1045681695.db2.gz LDCLJKPKAPESES-SIKLNZKXSA-N 1 0 378.524 3.588 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCCCC1 ZINC001300906642 1046233543 /nfs/dbraw/zinc/23/35/43/1046233543.db2.gz QTZCGAGAZXKAPV-UHFFFAOYSA-N 1 0 388.947 3.882 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCC[NH+]1CCC(C)CC1 ZINC001300925833 1046246015 /nfs/dbraw/zinc/24/60/15/1046246015.db2.gz GDRJDJUXYJVZKJ-LJQANCHMSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301074582 1046321367 /nfs/dbraw/zinc/32/13/67/1046321367.db2.gz CLTUINMPDRVSCX-IBGZPJMESA-N 1 0 390.535 3.705 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301086005 1046329534 /nfs/dbraw/zinc/32/95/34/1046329534.db2.gz RZELEFXYYWPUBY-LEWJYISDSA-N 1 0 395.551 3.550 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001301120056 1046356197 /nfs/dbraw/zinc/35/61/97/1046356197.db2.gz GDPRDKYYTWBVFO-WOJBJXKFSA-N 1 0 389.588 3.898 20 30 GHEDRO C=CCCCn1c(C2CCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301221663 1046412168 /nfs/dbraw/zinc/41/21/68/1046412168.db2.gz MXFLCTINNBPCIX-SFHVURJKSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001301273316 1046444902 /nfs/dbraw/zinc/44/49/02/1046444902.db2.gz QJEAMHWPUNXAHR-PMACEKPBSA-N 1 0 397.567 3.999 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001301289851 1046457651 /nfs/dbraw/zinc/45/76/51/1046457651.db2.gz SEAIMRHNTBSEKW-QZTJIDSGSA-N 1 0 382.556 3.639 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001301309551 1046472368 /nfs/dbraw/zinc/47/23/68/1046472368.db2.gz FHKDRSJHOKSJMQ-GUDVDZBRSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCN(c1nnc(-c2cccnc2)n1CC1CC[NH+](CCC)CC1)C1CC1 ZINC001301324522 1046487294 /nfs/dbraw/zinc/48/72/94/1046487294.db2.gz YMYPXMHQBOJQTR-UHFFFAOYSA-N 1 0 380.540 3.617 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCCCO2)n1CCC[NH+]1CCC(C)CC1)C1CC1 ZINC001301323765 1046487588 /nfs/dbraw/zinc/48/75/88/1046487588.db2.gz URXRCPNMJVWBJF-FQEVSTJZSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCC[N@H+]1CCC)C1CC1 ZINC001301329333 1046491326 /nfs/dbraw/zinc/49/13/26/1046491326.db2.gz CVSNBEOCGJZOOE-OAQYLSRUSA-N 1 0 394.567 3.683 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC001301329695 1046492452 /nfs/dbraw/zinc/49/24/52/1046492452.db2.gz BAZIHUBOXLEGDU-SFHVURJKSA-N 1 0 397.542 3.895 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001301333972 1046497195 /nfs/dbraw/zinc/49/71/95/1046497195.db2.gz DQMWMRCOYCVFOP-IEBWSBKVSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301383175 1046517811 /nfs/dbraw/zinc/51/78/11/1046517811.db2.gz HCPHGMDAOAVARW-HDICACEKSA-N 1 0 387.572 3.612 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)[C@@H](C)CC)C1 ZINC001301547243 1046592339 /nfs/dbraw/zinc/59/23/39/1046592339.db2.gz XVUZVBUAEHYPGC-PMACEKPBSA-N 1 0 397.567 3.765 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001301554575 1046595163 /nfs/dbraw/zinc/59/51/63/1046595163.db2.gz IOEMMAULERHMOU-PMACEKPBSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001263295843 1046693978 /nfs/dbraw/zinc/69/39/78/1046693978.db2.gz LTVVGDIHFMNLEN-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CC[NH2+][C@@H](Cc2cccc(OC)c2)C1 ZINC001301812770 1046718341 /nfs/dbraw/zinc/71/83/41/1046718341.db2.gz UREICPYKKCBEFD-SFHVURJKSA-N 1 0 382.529 3.630 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001301960960 1046763457 /nfs/dbraw/zinc/76/34/57/1046763457.db2.gz VDVSNXTYASOSFH-KDOFPFPSSA-N 1 0 386.931 3.535 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)CCC#N)n2Cc2cccs2)CC1 ZINC001263498597 1046908913 /nfs/dbraw/zinc/90/89/13/1046908913.db2.gz JOLMXTTUMDTSOQ-KRWDZBQOSA-N 1 0 386.569 3.716 20 30 GHEDRO C#CCC(C)(C)c1nnc(N2CC[C@H](C[N@@H+](C)CCC)C2)n1Cc1cccs1 ZINC001263501517 1046912021 /nfs/dbraw/zinc/91/20/21/1046912021.db2.gz TWVZEPGFSMIRAQ-GOSISDBHSA-N 1 0 399.608 3.857 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)[NH+](C)C ZINC001303695395 1047483687 /nfs/dbraw/zinc/48/36/87/1047483687.db2.gz INFVUHVRZXWDIO-SLYNCCJLSA-N 1 0 392.551 3.783 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCC[N@@H+]2C2CC2)o1 ZINC001304294614 1047636776 /nfs/dbraw/zinc/63/67/76/1047636776.db2.gz SEUIKZPQCYQJOL-QAPCUYQASA-N 1 0 382.512 3.602 20 30 GHEDRO Cc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+](C)C(C)C ZINC001304551114 1047710193 /nfs/dbraw/zinc/71/01/93/1047710193.db2.gz PNZJZKHJSWNHNZ-UHFFFAOYSA-N 1 0 394.567 3.648 20 30 GHEDRO C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C1)[NH+]1CCCCC1 ZINC001305073322 1047875457 /nfs/dbraw/zinc/87/54/57/1047875457.db2.gz JBYIUANURNUCMA-MOPGFXCFSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CC(F)(C2CC2)C1 ZINC001279830992 1047962310 /nfs/dbraw/zinc/96/23/10/1047962310.db2.gz CLLHOOSYXNMNOY-GOSISDBHSA-N 1 0 380.573 3.891 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N[C@@H](C)c1ncc[nH]1 ZINC001279832226 1047962613 /nfs/dbraw/zinc/96/26/13/1047962613.db2.gz MFBGMZBKIFQTOR-IRXDYDNUSA-N 1 0 376.570 3.531 20 30 GHEDRO C=CCCCNC(=S)N1CCC[C@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001279936401 1047995027 /nfs/dbraw/zinc/99/50/27/1047995027.db2.gz NFMHDQJJYKDKMX-FQEVSTJZSA-N 1 0 392.638 3.970 20 30 GHEDRO CCCCCCC/C=C/C[NH+]1CC2(C1)SCC[C@H]2C(=O)N(C)CCOC ZINC001280215593 1048129007 /nfs/dbraw/zinc/12/90/07/1048129007.db2.gz SVTZRZGPBYRBAX-VYENPZKTSA-N 1 0 382.614 3.815 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1CCC[NH+]1CCCC1)c1ccccc1 ZINC001305656989 1048204805 /nfs/dbraw/zinc/20/48/05/1048204805.db2.gz QWYDXUPSEUIBDQ-PZJWPPBQSA-N 1 0 394.567 3.902 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001305711792 1048227212 /nfs/dbraw/zinc/22/72/12/1048227212.db2.gz DEDHEYHAXWDBTR-UTKZUKDTSA-N 1 0 392.567 3.675 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCCCC[NH+]1CCCC1 ZINC001286282835 1048252373 /nfs/dbraw/zinc/25/23/73/1048252373.db2.gz QNOJTWNUWWXTJC-LJQANCHMSA-N 1 0 395.551 3.678 20 30 GHEDRO CC[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C#N)[NH+]1CCCC1 ZINC001305823414 1048253083 /nfs/dbraw/zinc/25/30/83/1048253083.db2.gz OBYCZXGAYYYCNH-IRXDYDNUSA-N 1 0 384.503 3.554 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[NH+](CC)CC ZINC001286287458 1048256570 /nfs/dbraw/zinc/25/65/70/1048256570.db2.gz NYLSNUSSVOUKDP-SFHVURJKSA-N 1 0 390.535 3.621 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001286294859 1048259956 /nfs/dbraw/zinc/25/99/56/1048259956.db2.gz FXPUFIRCJQKBJZ-HXUWFJFHSA-N 1 0 393.579 3.847 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286327922 1048274070 /nfs/dbraw/zinc/27/40/70/1048274070.db2.gz KUPLUWACHSTHHH-OALUTQOASA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001286367698 1048292954 /nfs/dbraw/zinc/29/29/54/1048292954.db2.gz DCXRRKXREVAYPQ-LJQANCHMSA-N 1 0 379.552 3.841 20 30 GHEDRO C#CCN(CC#C)c1nnc([C@H](C)CC)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286397636 1048301250 /nfs/dbraw/zinc/30/12/50/1048301250.db2.gz ONCFBKZMRHTJGM-NJDAHSKKSA-N 1 0 383.584 3.623 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+](CC)CCC ZINC001286422925 1048313738 /nfs/dbraw/zinc/31/37/38/1048313738.db2.gz GHWSUSSYUKBOPU-UHFFFAOYSA-N 1 0 397.954 3.793 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001286441780 1048324637 /nfs/dbraw/zinc/32/46/37/1048324637.db2.gz URMHRWZENFRELD-FQEVSTJZSA-N 1 0 379.552 3.917 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001286581671 1048375541 /nfs/dbraw/zinc/37/55/41/1048375541.db2.gz MSDICIBHMIXALI-VQTJNVASSA-N 1 0 389.588 3.552 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286582618 1048376184 /nfs/dbraw/zinc/37/61/84/1048376184.db2.gz AURXEHONAMUQOP-OAQYLSRUSA-N 1 0 391.629 3.851 20 30 GHEDRO C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286637804 1048406623 /nfs/dbraw/zinc/40/66/23/1048406623.db2.gz NDLJJRMKNZHQBD-IAGOWNOFSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001286656736 1048425088 /nfs/dbraw/zinc/42/50/88/1048425088.db2.gz YTNUTXUCRCKXOG-HXUWFJFHSA-N 1 0 395.551 3.840 20 30 GHEDRO C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001286666743 1048433222 /nfs/dbraw/zinc/43/32/22/1048433222.db2.gz LNBCWJRWMYTTBZ-SFHVURJKSA-N 1 0 377.577 3.551 20 30 GHEDRO CCc1nnc(N2CCC(C#N)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001306115705 1048440504 /nfs/dbraw/zinc/44/05/04/1048440504.db2.gz WLLXWZLOOPDVFE-QGZVFWFLSA-N 1 0 380.540 3.710 20 30 GHEDRO C=CCCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286689258 1048450240 /nfs/dbraw/zinc/45/02/40/1048450240.db2.gz KRHLNDVHHVWCEU-RBUKOAKNSA-N 1 0 382.556 3.539 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1C[C@H](C)S[C@@H](C)C1)C(C)C ZINC001286751666 1048504533 /nfs/dbraw/zinc/50/45/33/1048504533.db2.gz SDPGBIVOTAOFPM-JENIJYKNSA-N 1 0 377.602 3.615 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CCc2ccccc2CC1)C(C)C ZINC001286750798 1048504560 /nfs/dbraw/zinc/50/45/60/1048504560.db2.gz HGASPABAQGJEBO-QHCPKHFHSA-N 1 0 393.579 3.890 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001286967657 1048560450 /nfs/dbraw/zinc/56/04/50/1048560450.db2.gz IUYNPVHIYDALCX-ZWKOTPCHSA-N 1 0 398.555 3.893 20 30 GHEDRO CC(C)Cc1nnc(N(C)[C@@H](C)CC#N)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287349682 1048726664 /nfs/dbraw/zinc/72/66/64/1048726664.db2.gz QUIIDCJVVMKHRF-ZCNNSNEGSA-N 1 0 388.604 3.973 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1CCCCC[NH+]1CCCC1 ZINC001287400950 1048757781 /nfs/dbraw/zinc/75/77/81/1048757781.db2.gz XJKHNWOSDSYTOB-UHFFFAOYSA-N 1 0 386.588 3.873 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N ZINC001306680196 1048807309 /nfs/dbraw/zinc/80/73/09/1048807309.db2.gz BBQYPISJBWIPHI-INIZCTEOSA-N 1 0 388.947 3.926 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC001306993617 1048996505 /nfs/dbraw/zinc/99/65/05/1048996505.db2.gz HVIVQTFCTSIAAI-UHFFFAOYSA-N 1 0 389.459 3.891 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001307040788 1049034210 /nfs/dbraw/zinc/03/42/10/1049034210.db2.gz XORVVJAQHLXOHA-IBGZPJMESA-N 1 0 392.551 3.807 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCCCC1 ZINC001288698099 1049203301 /nfs/dbraw/zinc/20/33/01/1049203301.db2.gz IXVSGTXNMUPGAW-XMSQKQJNSA-N 1 0 384.572 3.798 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCCCC1 ZINC001288698098 1049203683 /nfs/dbraw/zinc/20/36/83/1049203683.db2.gz IXVSGTXNMUPGAW-PGRDOPGGSA-N 1 0 384.572 3.798 20 30 GHEDRO CCN(C)c1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC001307452147 1049288571 /nfs/dbraw/zinc/28/85/71/1049288571.db2.gz WUHQBNWMFOHBMJ-UHFFFAOYSA-N 1 0 385.515 3.885 20 30 GHEDRO CC[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[C@@H]1c1ccccc1 ZINC001307520510 1049364176 /nfs/dbraw/zinc/36/41/76/1049364176.db2.gz NOYPSKSTQOCKPW-FPOVZHCZSA-N 1 0 386.495 3.802 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(C#N)c2)c(Br)c1 ZINC001307609432 1049447429 /nfs/dbraw/zinc/44/74/29/1049447429.db2.gz ALJNNMSILRMVNE-XIKOKIGWSA-N 1 0 375.266 3.714 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC001289532098 1049527138 /nfs/dbraw/zinc/52/71/38/1049527138.db2.gz SFPMDPWHBZWTDW-ROUUACIJSA-N 1 0 398.555 3.955 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[N@H+](C[C@H](O)CC1(C#N)CCC1)CC1CCCC1 ZINC001307756648 1049571776 /nfs/dbraw/zinc/57/17/76/1049571776.db2.gz DIEFNXFLXWGTFO-LJQANCHMSA-N 1 0 393.572 3.838 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC001307869046 1049651037 /nfs/dbraw/zinc/65/10/37/1049651037.db2.gz HPAJEFVZRHFZIU-UHFFFAOYSA-N 1 0 378.859 3.608 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001307904705 1049683298 /nfs/dbraw/zinc/68/32/98/1049683298.db2.gz SAJYIPHKGUPTAG-AVRDEDQJSA-N 1 0 385.508 3.694 20 30 GHEDRO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC001307961592 1049724109 /nfs/dbraw/zinc/72/41/09/1049724109.db2.gz LHTKKZQADGEUJP-KRWDZBQOSA-N 1 0 380.467 3.941 20 30 GHEDRO CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001290236748 1049771445 /nfs/dbraw/zinc/77/14/45/1049771445.db2.gz SQOIOMHGVGOBRY-UHFFFAOYSA-N 1 0 390.535 3.849 20 30 GHEDRO COc1ccccc1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC001308028841 1049779564 /nfs/dbraw/zinc/77/95/64/1049779564.db2.gz ZTQZMWHIUDFZPB-RTWAWAEBSA-N 1 0 394.515 3.771 20 30 GHEDRO C=CCC1(O)CC[NH+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC001308087985 1049834911 /nfs/dbraw/zinc/83/49/11/1049834911.db2.gz BZSAAHIHXFLYMJ-QHCPKHFHSA-N 1 0 396.506 3.777 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC001308105319 1049851650 /nfs/dbraw/zinc/85/16/50/1049851650.db2.gz LLAMZEXCCUSJNS-AWEZNQCLSA-N 1 0 388.924 3.870 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CCSCc1ccccc1C#N)CC(F)F ZINC001308186496 1049904938 /nfs/dbraw/zinc/90/49/38/1049904938.db2.gz YYQTXEIVMRTLMB-MRXNPFEDSA-N 1 0 399.507 3.930 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001308339167 1049952634 /nfs/dbraw/zinc/95/26/34/1049952634.db2.gz XCUJQLPPIFVKDQ-QGZVFWFLSA-N 1 0 393.369 3.919 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC001308369714 1049960900 /nfs/dbraw/zinc/96/09/00/1049960900.db2.gz QJLXRIADSHNRPT-GOSISDBHSA-N 1 0 387.321 3.878 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)c(I)cc1C ZINC001308387410 1049964292 /nfs/dbraw/zinc/96/42/92/1049964292.db2.gz NLSKTAZYGQKODQ-YOEHRIQHSA-N 1 0 385.289 3.979 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC001308481826 1049986545 /nfs/dbraw/zinc/98/65/45/1049986545.db2.gz FEJOSWIQUZNQDN-CQSZACIVSA-N 1 0 375.104 3.730 20 30 GHEDRO C#CCC1([NH2+]Cc2ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c2)CCCCC1 ZINC001308531908 1050000217 /nfs/dbraw/zinc/00/02/17/1050000217.db2.gz NPDFXROEUIQBKB-GOSISDBHSA-N 1 0 386.536 3.757 20 30 GHEDRO Cc1nn(-c2ccccn2)c(Cl)c1CN(C)CCOCc1ccc(C#N)cc1 ZINC001308793982 1050096001 /nfs/dbraw/zinc/09/60/01/1050096001.db2.gz HVXOCEBBOCITFO-UHFFFAOYSA-N 1 0 395.894 3.749 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)cc1 ZINC001327862124 1050302565 /nfs/dbraw/zinc/30/25/65/1050302565.db2.gz ABQWNOZRPCKNIW-CQOQZXRMSA-N 1 0 376.500 3.894 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccccc1CC#N ZINC001309087000 1050338870 /nfs/dbraw/zinc/33/88/70/1050338870.db2.gz FJAJFIPUFKEXIE-RXVVDRJESA-N 1 0 397.544 3.599 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCc2ccc(Br)s2)c1 ZINC001327976047 1050343036 /nfs/dbraw/zinc/34/30/36/1050343036.db2.gz XHKKCJDYTDIEAV-UHFFFAOYSA-N 1 0 378.295 3.543 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c2ccc(OC)cc2OC)cc1 ZINC001328570154 1050547123 /nfs/dbraw/zinc/54/71/23/1050547123.db2.gz LXGDCUUNYOWEIH-VGSWGCGISA-N 1 0 398.503 3.692 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)C1(c3cccc(C#N)c3)CC1)Cc1ccccc12 ZINC001329987716 1050934923 /nfs/dbraw/zinc/93/49/23/1050934923.db2.gz GONUPNJPUQSBAI-UHFFFAOYSA-N 1 0 385.511 3.596 20 30 GHEDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001310113039 1051163001 /nfs/dbraw/zinc/16/30/01/1051163001.db2.gz FMOSHUXMXCPIOQ-UHFFFAOYSA-N 1 0 381.480 3.797 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+]1C ZINC001310211089 1051225617 /nfs/dbraw/zinc/22/56/17/1051225617.db2.gz NWMWDVGNVOUWPH-QAPCUYQASA-N 1 0 379.464 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](C[C@@H](O)CC3(C#N)CCC3)C2)CC1 ZINC001331251999 1051227562 /nfs/dbraw/zinc/22/75/62/1051227562.db2.gz FOXFOLDTXOTHGQ-SFHVURJKSA-N 1 0 391.556 3.544 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001310515480 1051409704 /nfs/dbraw/zinc/40/97/04/1051409704.db2.gz XIIOYBKRFBFSBG-FQEVSTJZSA-N 1 0 380.492 3.845 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1N=S(C)(C)=O)C(C)C ZINC001310744557 1051565706 /nfs/dbraw/zinc/56/57/06/1051565706.db2.gz AHGJFTARGXTCAB-LJQANCHMSA-N 1 0 392.569 3.866 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(C#N)c(F)cc1F ZINC001311137498 1051896127 /nfs/dbraw/zinc/89/61/27/1051896127.db2.gz NGQDPGDRCFGTQB-AUUYWEPGSA-N 1 0 384.430 3.869 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001334879067 1051997558 /nfs/dbraw/zinc/99/75/58/1051997558.db2.gz KYOLEXICLDROSO-HBMCJLEFSA-N 1 0 390.535 3.559 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1)C(C)C ZINC001311388573 1052079752 /nfs/dbraw/zinc/07/97/52/1052079752.db2.gz OVVXXRNKMBOKJS-MISYRCLQSA-N 1 0 391.581 3.918 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC001311454053 1052164138 /nfs/dbraw/zinc/16/41/38/1052164138.db2.gz MFHGRBVXEZKNEU-FQEVSTJZSA-N 1 0 389.543 3.946 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C(c2cccs2)c2cccs2)cc1 ZINC001336779972 1052329784 /nfs/dbraw/zinc/32/97/84/1052329784.db2.gz MXAKMOFRSHLWLU-INIZCTEOSA-N 1 0 384.526 3.995 20 30 GHEDRO C#CCC1(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CCOCC1 ZINC001311994686 1052519971 /nfs/dbraw/zinc/51/99/71/1052519971.db2.gz RDKAGGWGAJEJSG-LJQANCHMSA-N 1 0 383.536 3.522 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC001312021310 1052533377 /nfs/dbraw/zinc/53/33/77/1052533377.db2.gz LTIKECQQYNVWKR-NYVOZVTQSA-N 1 0 378.520 3.766 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC001312218150 1052643286 /nfs/dbraw/zinc/64/32/86/1052643286.db2.gz DYVLGDYHQISOIX-OVNVTHAWSA-N 1 0 393.506 3.956 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)CC1 ZINC001312311885 1052689523 /nfs/dbraw/zinc/68/95/23/1052689523.db2.gz ZQTJZJLPTIBEFA-UHFFFAOYSA-N 1 0 394.346 3.812 20 30 GHEDRO C=CCC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001312333855 1052700978 /nfs/dbraw/zinc/70/09/78/1052700978.db2.gz DTBPKCLIRUMFGW-QHCPKHFHSA-N 1 0 392.547 3.945 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C)CC1 ZINC001313446996 1053056465 /nfs/dbraw/zinc/05/64/65/1053056465.db2.gz GXWXSRSPJQDNAS-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO C=C(C)Cn1c(CCOCC)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001342329237 1053111223 /nfs/dbraw/zinc/11/12/23/1053111223.db2.gz MWKMPMRCHPFFIR-UHFFFAOYSA-N 1 0 389.588 3.526 20 30 GHEDRO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001313682245 1053167120 /nfs/dbraw/zinc/16/71/20/1053167120.db2.gz FZANAKWZYBHFAW-GOSISDBHSA-N 1 0 380.540 3.927 20 30 GHEDRO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001313684682 1053169788 /nfs/dbraw/zinc/16/97/88/1053169788.db2.gz UFIZZYKVRQBNJP-GOSISDBHSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[NH+]1CCC(CCn2c(-c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001313882317 1053269876 /nfs/dbraw/zinc/26/98/76/1053269876.db2.gz ZOTDOTAWODYKCP-JOCHJYFZSA-N 1 0 396.514 3.509 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001342829181 1053378648 /nfs/dbraw/zinc/37/86/48/1053378648.db2.gz WQPCBEUWPKGSST-PMACEKPBSA-N 1 0 386.588 3.871 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(C2CCC2)nnc1N(CCC#N)CC1CC1)c1ccco1 ZINC001314650150 1053549562 /nfs/dbraw/zinc/54/95/62/1053549562.db2.gz QHPKBXBOLVAPGH-GOSISDBHSA-N 1 0 382.512 3.572 20 30 GHEDRO C[NH+](C)Cc1cccc(Cn2c(C3CCCC3)nnc2N2CCC(C#N)CC2)c1 ZINC001314667839 1053557626 /nfs/dbraw/zinc/55/76/26/1053557626.db2.gz VREBWMIVYSDEIS-UHFFFAOYSA-N 1 0 392.551 3.786 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@@H](CC(F)(F)F)C1 ZINC001343429446 1053764839 /nfs/dbraw/zinc/76/48/39/1053764839.db2.gz SJOPBRNWULNCJG-HNNXBMFYSA-N 1 0 385.478 3.832 20 30 GHEDRO COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2([NH+](C)C)CCCC2)c1 ZINC001315551421 1053849624 /nfs/dbraw/zinc/84/96/24/1053849624.db2.gz KAPAPLDEUAMZEO-KRWDZBQOSA-N 1 0 396.539 3.566 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001343819002 1054048350 /nfs/dbraw/zinc/04/83/50/1054048350.db2.gz IYUWFINRZZRPIP-UHFFFAOYSA-N 1 0 395.555 3.576 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001318671987 1054788741 /nfs/dbraw/zinc/78/87/41/1054788741.db2.gz RGHMTQQLHAHDFQ-FGZHOGPDSA-N 1 0 377.488 3.740 20 30 GHEDRO CC(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001344904198 1054794332 /nfs/dbraw/zinc/79/43/32/1054794332.db2.gz GZMTZNRLKLNIPI-UHFFFAOYSA-N 1 0 384.528 3.622 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC#N)cc1 ZINC001318753111 1054846430 /nfs/dbraw/zinc/84/64/30/1054846430.db2.gz TYEHRBIVPACTEE-HXUWFJFHSA-N 1 0 392.503 3.965 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318894320 1054939892 /nfs/dbraw/zinc/93/98/92/1054939892.db2.gz WJOWVSMHDVHBCQ-WIYYLYMNSA-N 1 0 397.544 3.599 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC001320073262 1055638122 /nfs/dbraw/zinc/63/81/22/1055638122.db2.gz ZUEVECKCWIZLRY-JOCHJYFZSA-N 1 0 385.552 3.938 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001320718303 1055938158 /nfs/dbraw/zinc/93/81/58/1055938158.db2.gz PKWAYLIXDWWLJA-UHFFFAOYSA-N 1 0 377.488 3.747 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N(C)CCN1CC[NH+](C)CC1 ZINC001200504815 1056153823 /nfs/dbraw/zinc/15/38/23/1056153823.db2.gz ONNPZZYAXDYDPL-UHFFFAOYSA-N 1 0 384.678 3.961 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001300586701 1056555273 /nfs/dbraw/zinc/55/52/73/1056555273.db2.gz ABKGXFJRPNZGCM-QFIPXVFZSA-N 1 0 395.595 3.738 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001300597535 1056595714 /nfs/dbraw/zinc/59/57/14/1056595714.db2.gz LGWPHDOHNDDZOW-UHFFFAOYSA-N 1 0 379.552 3.698 20 30 GHEDRO CN(c1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1)C1CC[NH+](C)CC1 ZINC001322770520 1056841933 /nfs/dbraw/zinc/84/19/33/1056841933.db2.gz UWDJMTCVPFNRFL-UHFFFAOYSA-N 1 0 388.515 3.759 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C#N)[C@H]1c1ccc(F)cc1 ZINC001324157153 1057080888 /nfs/dbraw/zinc/08/08/88/1057080888.db2.gz JQJXUYSIHHABRG-RTBURBONSA-N 1 0 388.284 3.995 20 30 GHEDRO C=CCn1c(-c2ccco2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001355369809 1057134481 /nfs/dbraw/zinc/13/44/81/1057134481.db2.gz MPFWZDARNCEZRD-UHFFFAOYSA-N 1 0 383.418 3.577 20 30 GHEDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1O ZINC000848533391 1057154296 /nfs/dbraw/zinc/15/42/96/1057154296.db2.gz LBFPPOJDVQNXQR-GFCCVEGCSA-N 1 0 391.265 3.765 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000848540104 1057161627 /nfs/dbraw/zinc/16/16/27/1057161627.db2.gz WARWSWNXFBJNDH-SFHVURJKSA-N 1 0 386.879 3.736 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325029426 1057266938 /nfs/dbraw/zinc/26/69/38/1057266938.db2.gz SRZVFBLFJNLIRM-PKOBYXMFSA-N 1 0 378.476 3.621 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001325223771 1057292837 /nfs/dbraw/zinc/29/28/37/1057292837.db2.gz RJHBBXWKOWIAAI-FYYLOGMGSA-N 1 0 382.479 3.650 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C(C)C)C1 ZINC001355862467 1057297489 /nfs/dbraw/zinc/29/74/89/1057297489.db2.gz BCYVYNWUYBNBDK-AZUAARDMSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C(C)C)C1 ZINC001355862468 1057297576 /nfs/dbraw/zinc/29/75/76/1057297576.db2.gz BCYVYNWUYBNBDK-ICSRJNTNSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC2CCCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001355915199 1057313493 /nfs/dbraw/zinc/31/34/93/1057313493.db2.gz CAQRFIPZWWVOCF-FQEVSTJZSA-N 1 0 389.588 3.825 20 30 GHEDRO C=CCn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N(C)Cc1ccoc1 ZINC001356102671 1057389668 /nfs/dbraw/zinc/38/96/68/1057389668.db2.gz XCOULZNNCBUOFH-VQTJNVASSA-N 1 0 377.492 3.506 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001326847818 1057566898 /nfs/dbraw/zinc/56/68/98/1057566898.db2.gz UYGDRQROTPBYAG-JKSUJKDBSA-N 1 0 389.500 3.529 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCc2cccc(C(N)=O)c2)cc1 ZINC000849072818 1057581729 /nfs/dbraw/zinc/58/17/29/1057581729.db2.gz JSMRGSPVIJDQBY-UHFFFAOYSA-N 1 0 386.499 3.894 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000849081788 1057584543 /nfs/dbraw/zinc/58/45/43/1057584543.db2.gz NDUCHWBUYRUIRG-DLBZAZTESA-N 1 0 385.512 3.507 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001357116843 1057607664 /nfs/dbraw/zinc/60/76/64/1057607664.db2.gz KLRBUFVVZOXUHA-ANTGDGSKSA-N 1 0 394.567 3.687 20 30 GHEDRO C=CCn1c(-c2ccco2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001337991574 1058362982 /nfs/dbraw/zinc/36/29/82/1058362982.db2.gz YCHRTZKTRHGAMV-GOSISDBHSA-N 1 0 377.492 3.825 20 30 GHEDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)[NH+](C)C)cc1 ZINC001439959719 1058367541 /nfs/dbraw/zinc/36/75/41/1058367541.db2.gz HEYMHZAVXQZDSI-UNMCSNQZSA-N 1 0 378.520 3.559 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N(C)[C@H]3CCC[C@H]3C#N)n2C)C1 ZINC001338659279 1058714931 /nfs/dbraw/zinc/71/49/31/1058714931.db2.gz SBDAWFIHDCNIEM-PGVBMLAISA-N 1 0 396.514 3.575 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001441176453 1058717935 /nfs/dbraw/zinc/71/79/35/1058717935.db2.gz MAAQCANIVLVEHQ-VAWYXSNFSA-N 1 0 376.500 3.557 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001338678777 1058726428 /nfs/dbraw/zinc/72/64/28/1058726428.db2.gz AZWONYJHLOQWMN-OAHLLOKOSA-N 1 0 398.580 3.776 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001338870547 1058845622 /nfs/dbraw/zinc/84/56/22/1058845622.db2.gz IHJGQBUBUBHJNZ-LPHOPBHVSA-N 1 0 398.555 3.827 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001339069409 1058947253 /nfs/dbraw/zinc/94/72/53/1058947253.db2.gz VRBXBYWSEFAOHV-QZTJIDSGSA-N 1 0 397.571 3.504 20 30 GHEDRO C=CCn1c([C@H](OC)c2cccs2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339137304 1058976296 /nfs/dbraw/zinc/97/62/96/1058976296.db2.gz NEISPILOTVIAOF-GOSISDBHSA-N 1 0 389.569 3.572 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)C(C)C ZINC001443430102 1059129778 /nfs/dbraw/zinc/12/97/78/1059129778.db2.gz SLMDWLKCBOZBJY-SFHVURJKSA-N 1 0 390.325 3.749 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c1C#N ZINC001339366977 1059147970 /nfs/dbraw/zinc/14/79/70/1059147970.db2.gz BNXCPTSLYSAVSM-SZPZYZBQSA-N 1 0 396.560 3.501 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(OCC#N)c2)[C@H]1c1cccs1 ZINC001339615339 1059348027 /nfs/dbraw/zinc/34/80/27/1059348027.db2.gz ZUMFBAXQOSGOQT-PXNSSMCTSA-N 1 0 398.532 3.533 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC001444660398 1059356271 /nfs/dbraw/zinc/35/62/71/1059356271.db2.gz BFZDFYSCCGTNFS-UHFFFAOYSA-N 1 0 379.342 3.885 20 30 GHEDRO C=CCn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CCC(C=C)CC1 ZINC001339759461 1059448070 /nfs/dbraw/zinc/44/80/70/1059448070.db2.gz XUQHQUVQAPJHJZ-UHFFFAOYSA-N 1 0 398.555 3.536 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339799001 1059482915 /nfs/dbraw/zinc/48/29/15/1059482915.db2.gz UTUZAUWDMNSMCY-ZWKOTPCHSA-N 1 0 387.572 3.590 20 30 GHEDRO CCN(c1nnc(CC(C)(C)C#N)n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001340052664 1059652918 /nfs/dbraw/zinc/65/29/18/1059652918.db2.gz ANKQPYSFLOAYKL-HKUYNNGSSA-N 1 0 380.540 3.569 20 30 GHEDRO CC(C)[C@H]1CN(c2nnc([C@H](C)CCC#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC001340074650 1059672034 /nfs/dbraw/zinc/67/20/34/1059672034.db2.gz UFVVRCPHUSYIOL-UYAOXDASSA-N 1 0 380.540 3.569 20 30 GHEDRO C=CCn1c(-c2c(C)n[nH]c2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001340150454 1059728341 /nfs/dbraw/zinc/72/83/41/1059728341.db2.gz ZVLAJRGKYBKWPA-IBGZPJMESA-N 1 0 397.571 3.563 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001340345125 1059873757 /nfs/dbraw/zinc/87/37/57/1059873757.db2.gz AFCKIBAOPBWDIF-VAMGGRTRSA-N 1 0 384.572 3.962 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nnc1C(C)(C)CC#N ZINC001340427807 1059926197 /nfs/dbraw/zinc/92/61/97/1059926197.db2.gz LHPNWGATXGXJHK-RTBURBONSA-N 1 0 384.572 3.746 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001340777212 1060116812 /nfs/dbraw/zinc/11/68/12/1060116812.db2.gz KKRNQIGZHIEJQO-ICSRJNTNSA-N 1 0 399.583 3.797 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C#N)cc2C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC001340881554 1060221322 /nfs/dbraw/zinc/22/13/22/1060221322.db2.gz LBAXBOHQYPJWNE-TZIWHRDSSA-N 1 0 391.519 3.622 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC001448886280 1060291952 /nfs/dbraw/zinc/29/19/52/1060291952.db2.gz YJZXDSIOEZFOKJ-UHFFFAOYSA-N 1 0 375.513 3.761 20 30 GHEDRO CCn1c(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nnc1C(C)(C)CC#N ZINC001341126716 1060426280 /nfs/dbraw/zinc/42/62/80/1060426280.db2.gz GRMCAMQKDPHJHE-GOSISDBHSA-N 1 0 380.540 3.590 20 30 GHEDRO C=C[C@H](Cc1nnc(CC[NH+]2CCN(c3ccccc3)CC2)o1)c1ccccc1 ZINC001341345194 1060595423 /nfs/dbraw/zinc/59/54/23/1060595423.db2.gz AJCBZBMKZPRFGJ-HXUWFJFHSA-N 1 0 388.515 3.947 20 30 GHEDRO C=C(C)Cn1c([C@@H](OC)C2CC2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001341824542 1060911270 /nfs/dbraw/zinc/91/12/70/1060911270.db2.gz NOELQACYUNHMNS-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)[C@H](C)C1 ZINC001341882501 1060935170 /nfs/dbraw/zinc/93/51/70/1060935170.db2.gz PMGYOYVCWSTANU-SBHAEUEKSA-N 1 0 394.567 3.900 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC001342026008 1061005037 /nfs/dbraw/zinc/00/50/37/1061005037.db2.gz JSFRNHNJCPEGKX-AZUAARDMSA-N 1 0 381.524 3.623 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001342035809 1061010859 /nfs/dbraw/zinc/01/08/59/1061010859.db2.gz OMHIQQLEGLYNGW-ROUUACIJSA-N 1 0 389.588 3.836 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001342090439 1061050876 /nfs/dbraw/zinc/05/08/76/1061050876.db2.gz UUNKSELSNAXYQA-VQTJNVASSA-N 1 0 384.572 3.791 20 30 GHEDRO N#CCCCCc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001345984217 1061262082 /nfs/dbraw/zinc/26/20/82/1061262082.db2.gz JPCMHWOLPSXGOA-GOSISDBHSA-N 1 0 398.580 3.689 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@H](C)CCC#N)n2Cc2cccs2)CC1 ZINC001346087096 1061351956 /nfs/dbraw/zinc/35/19/56/1061351956.db2.gz ZVVUIKMRIUPDDQ-IAGOWNOFSA-N 1 0 386.569 3.716 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001454539506 1061822407 /nfs/dbraw/zinc/82/24/07/1061822407.db2.gz LUVMPESJGXLDGH-GOSISDBHSA-N 1 0 393.409 3.718 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC1CC1 ZINC001346898815 1061969087 /nfs/dbraw/zinc/96/90/87/1061969087.db2.gz BJNCERKODISVOX-OALUTQOASA-N 1 0 392.551 3.806 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC1CC1 ZINC001346898821 1061969381 /nfs/dbraw/zinc/96/93/81/1061969381.db2.gz BJNCERKODISVOX-RTBURBONSA-N 1 0 392.551 3.806 20 30 GHEDRO CON=Cc1ccc(C(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001455072608 1061992328 /nfs/dbraw/zinc/99/23/28/1061992328.db2.gz SRBWNLLHNRUYKV-JOCHJYFZSA-N 1 0 379.504 3.794 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(OCC#N)cc1 ZINC001348258121 1062968371 /nfs/dbraw/zinc/96/83/71/1062968371.db2.gz CFFMIUWGGZIBGQ-JOCHJYFZSA-N 1 0 392.503 3.963 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001348502057 1063144124 /nfs/dbraw/zinc/14/41/24/1063144124.db2.gz QCFUVZORPHNNRA-ZWKOTPCHSA-N 1 0 398.580 3.860 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC001436211778 1063295228 /nfs/dbraw/zinc/29/52/28/1063295228.db2.gz KDBAHBGRQZTNLC-INIZCTEOSA-N 1 0 384.277 3.781 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(C3(C#N)CCCCC3)n2CC2CC2)CC1 ZINC001348995953 1063485140 /nfs/dbraw/zinc/48/51/40/1063485140.db2.gz UDLBPPWMBWIOAJ-UHFFFAOYSA-N 1 0 384.572 3.724 20 30 GHEDRO CCC(CC)[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)[NH+]1CCOCC1 ZINC001458082845 1063552915 /nfs/dbraw/zinc/55/29/15/1063552915.db2.gz IZZGRKIHHMGPPT-FQEVSTJZSA-N 1 0 395.507 3.689 20 30 GHEDRO C=CCc1cc(OC)ccc1OC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC001350250645 1064035604 /nfs/dbraw/zinc/03/56/04/1064035604.db2.gz QUXSNRGNWBFPJR-ZROIWOOFSA-N 1 0 381.472 3.983 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C#N)[C@@H](C)C2CC2)cc1 ZINC001459343293 1064068702 /nfs/dbraw/zinc/06/87/02/1064068702.db2.gz AIZBVYLVYADSHO-UWJYYQICSA-N 1 0 380.488 3.607 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc(C3(C#N)CCCCC3)n2C)CC1 ZINC001350380961 1064071866 /nfs/dbraw/zinc/07/18/66/1064071866.db2.gz USXJQFOSDKQFSD-UHFFFAOYSA-N 1 0 384.572 3.775 20 30 GHEDRO N#Cc1cccc(OCCN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459653247 1064156042 /nfs/dbraw/zinc/15/60/42/1064156042.db2.gz HKSVTBANHXEBLI-UPVQGACJSA-N 1 0 375.516 3.924 20 30 GHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCOc1cccc(C#N)c1 ZINC001459927637 1064280392 /nfs/dbraw/zinc/28/03/92/1064280392.db2.gz CFZCKPIGVNSHGR-UHFFFAOYSA-N 1 0 379.382 3.798 20 30 GHEDRO CC[C@@H](C[N@H+](C)CCC(=O)N(C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC001459959727 1064303314 /nfs/dbraw/zinc/30/33/14/1064303314.db2.gz DZAVALJSBKIORF-AWEZNQCLSA-N 1 0 386.323 3.845 20 30 GHEDRO C=CC[C@H]1[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CCCC1(C)C ZINC001460029936 1064358921 /nfs/dbraw/zinc/35/89/21/1064358921.db2.gz OFFSXQUKTAKCOL-OAQYLSRUSA-N 1 0 380.536 3.598 20 30 GHEDRO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](c2ccc(Cl)cc2)C(CC)CC)CC1 ZINC001460045950 1064371529 /nfs/dbraw/zinc/37/15/29/1064371529.db2.gz JIYKWRLTFLPVIG-JOCHJYFZSA-N 1 0 389.971 3.527 20 30 GHEDRO C#CCn1ccc(C[N@H+](CC)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)n1 ZINC001460048573 1064376376 /nfs/dbraw/zinc/37/63/76/1064376376.db2.gz PUIBGKVKQLRYHA-QFBILLFUSA-N 1 0 377.410 3.520 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001351562043 1064516245 /nfs/dbraw/zinc/51/62/45/1064516245.db2.gz HZVJWGKFKPCVSZ-INIZCTEOSA-N 1 0 396.495 3.547 20 30 GHEDRO C#Cc1cccc(N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000847158789 1064791810 /nfs/dbraw/zinc/79/18/10/1064791810.db2.gz QOTWAXKXRGPMBE-UHFFFAOYSA-N 1 0 379.529 3.928 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@H](C)c1ccsc1 ZINC001352191328 1064919271 /nfs/dbraw/zinc/91/92/71/1064919271.db2.gz SKDMWTWJYSQFPR-OAHLLOKOSA-N 1 0 397.552 3.884 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C[NH+]4CCC(OC)CC4)cc3)n2CC)CC1 ZINC001352357826 1064990457 /nfs/dbraw/zinc/99/04/57/1064990457.db2.gz UEZZARJVMYVUQC-UHFFFAOYSA-N 1 0 395.551 3.732 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)CC(C)C ZINC001464868294 1065252362 /nfs/dbraw/zinc/25/23/62/1065252362.db2.gz LQPIZYBBWIBFAN-GOSISDBHSA-N 1 0 394.357 3.736 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C(=O)OC)ccc1Cl)C(C)C ZINC001464872118 1065253433 /nfs/dbraw/zinc/25/34/33/1065253433.db2.gz RGGKSIZINQKRNP-SFHVURJKSA-N 1 0 378.900 3.555 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CC)C[NH+]2CCCC2)s1 ZINC001465068580 1065368818 /nfs/dbraw/zinc/36/88/18/1065368818.db2.gz SCJUWODYPVIZRS-AWEZNQCLSA-N 1 0 388.002 3.829 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC001465628281 1065755456 /nfs/dbraw/zinc/75/54/56/1065755456.db2.gz DLVWFYNMWNYPLG-LJQANCHMSA-N 1 0 377.488 3.684 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)cc1 ZINC001465628571 1065756003 /nfs/dbraw/zinc/75/60/03/1065756003.db2.gz ODGOKBSUIOHRID-NRFANRHFSA-N 1 0 379.504 3.773 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001300276148 1065906810 /nfs/dbraw/zinc/90/68/10/1065906810.db2.gz HSSVMFWCONUNHO-JKSUJKDBSA-N 1 0 383.927 3.541 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001300295298 1065945045 /nfs/dbraw/zinc/94/50/45/1065945045.db2.gz FLLKGSFQIWRVLQ-RTBURBONSA-N 1 0 390.535 3.642 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001300303079 1065957307 /nfs/dbraw/zinc/95/73/07/1065957307.db2.gz HPCVLLRWGRFZFI-SFHVURJKSA-N 1 0 377.536 3.648 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[NH+]1CCCCC1 ZINC001300324469 1065989454 /nfs/dbraw/zinc/98/94/54/1065989454.db2.gz GFGQEPIRAZUVEX-IBGZPJMESA-N 1 0 397.592 3.823 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1OCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748534 1066028053 /nfs/dbraw/zinc/02/80/53/1066028053.db2.gz CABQYZDZRVFULQ-CTNGQTDRSA-N 1 0 384.520 3.931 20 30 GHEDRO C[C@@H]1CCC[C@H](OCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847749468 1066034621 /nfs/dbraw/zinc/03/46/21/1066034621.db2.gz QTLQFTSKVFDTFT-CTNGQTDRSA-N 1 0 384.520 3.931 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)[C@@H]2C1 ZINC001466277319 1066069120 /nfs/dbraw/zinc/06/91/20/1066069120.db2.gz NNYIHDRBWKVIAT-BEVDRBHNSA-N 1 0 376.460 3.812 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC001466343155 1066102043 /nfs/dbraw/zinc/10/20/43/1066102043.db2.gz KXZTUCVMZGSVQV-QWHCGFSZSA-N 1 0 384.402 3.699 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001300366635 1066114589 /nfs/dbraw/zinc/11/45/89/1066114589.db2.gz OCYZJTUZVSJPIW-NHCUHLMSSA-N 1 0 393.579 3.900 20 30 GHEDRO C#Cc1ccc(C(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cc1 ZINC001466496992 1066172809 /nfs/dbraw/zinc/17/28/09/1066172809.db2.gz JTYRINXQRUJITH-PMACEKPBSA-N 1 0 390.527 3.607 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3sccc3C#N)cc2)C[C@H](C)O1 ZINC001466986405 1066429515 /nfs/dbraw/zinc/42/95/15/1066429515.db2.gz ZAOSEDKJISWWIG-GASCZTMLSA-N 1 0 384.505 3.551 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467196130 1067142185 /nfs/dbraw/zinc/14/21/85/1067142185.db2.gz WRRRKVIXKAGRIP-SJORKVTESA-N 1 0 382.430 3.725 20 30 GHEDRO C#CCOc1ccccc1NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001467212017 1067155717 /nfs/dbraw/zinc/15/57/17/1067155717.db2.gz FQNIAVKWAPKHTF-FQEVSTJZSA-N 1 0 390.487 3.627 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccccc1 ZINC001357641413 1067211275 /nfs/dbraw/zinc/21/12/75/1067211275.db2.gz AFHFKFNGQBGFPZ-CTNGQTDRSA-N 1 0 392.551 3.798 20 30 GHEDRO N#Cc1c[nH]c2cc(C(=O)NC[C@@H](NCc3ccccc3)c3ccco3)ccc12 ZINC001467892313 1067517605 /nfs/dbraw/zinc/51/76/05/1067517605.db2.gz MFWIZYJRAKXQLS-OAQYLSRUSA-N 1 0 384.439 3.893 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC001468014289 1067564965 /nfs/dbraw/zinc/56/49/65/1067564965.db2.gz VYIHYXYZQIPTNG-LBPRGKRZSA-N 1 0 386.298 3.933 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001358879487 1067591872 /nfs/dbraw/zinc/59/18/72/1067591872.db2.gz RYRVKDLEVJCTEO-DNVCBOLYSA-N 1 0 395.482 3.746 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001358878936 1067592027 /nfs/dbraw/zinc/59/20/27/1067592027.db2.gz IGGWNSNFBYMTOB-SJLPKXTDSA-N 1 0 395.507 3.981 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001358882551 1067594168 /nfs/dbraw/zinc/59/41/68/1067594168.db2.gz CBGLIQCTRZYDDQ-PXNSSMCTSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001358884845 1067595789 /nfs/dbraw/zinc/59/57/89/1067595789.db2.gz YDZZCVBWELQQNQ-QZTJIDSGSA-N 1 0 390.535 3.861 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358893956 1067601062 /nfs/dbraw/zinc/60/10/62/1067601062.db2.gz FYLKJBHXXHEYRN-OTWHNJEPSA-N 1 0 399.608 3.756 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001358905339 1067606105 /nfs/dbraw/zinc/60/61/05/1067606105.db2.gz XJDXIJTZBHUZHA-UHFFFAOYSA-N 1 0 379.552 3.836 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC[N@H+](C)C(C)C ZINC001359001313 1067644531 /nfs/dbraw/zinc/64/45/31/1067644531.db2.gz QGTHICWIAUWBJY-UHFFFAOYSA-N 1 0 393.579 3.938 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359109219 1067688298 /nfs/dbraw/zinc/68/82/98/1067688298.db2.gz SUWJYOMKQGLXJQ-IBGZPJMESA-N 1 0 390.535 3.703 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359110075 1067689548 /nfs/dbraw/zinc/68/95/48/1067689548.db2.gz ZEZYTZNLJBDRFK-OAHLLOKOSA-N 1 0 388.947 3.879 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359114282 1067692829 /nfs/dbraw/zinc/69/28/29/1067692829.db2.gz GFAXSWYYPXWKFW-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(Cl)c(C(=O)OC)n2)c(O)c1 ZINC000849169632 1067751550 /nfs/dbraw/zinc/75/15/50/1067751550.db2.gz FFGPXVQLYDXEJK-SRZZPIQSSA-N 1 0 375.856 3.693 20 30 GHEDRO C=CCCCCn1c(-c2cccnc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359200845 1067767240 /nfs/dbraw/zinc/76/72/40/1067767240.db2.gz SQMXHJOTZPTPKD-HXUWFJFHSA-N 1 0 380.540 3.761 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359230760 1067832706 /nfs/dbraw/zinc/83/27/06/1067832706.db2.gz FDQKTBLGKUHQDS-DLBZAZTESA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359242999 1067854979 /nfs/dbraw/zinc/85/49/79/1067854979.db2.gz ZYANZAJGAMTUIR-SFHVURJKSA-N 1 0 388.585 3.521 20 30 GHEDRO C#CC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC001468777889 1067876817 /nfs/dbraw/zinc/87/68/17/1067876817.db2.gz LELDWROPBNAOJL-FQEVSTJZSA-N 1 0 385.577 3.802 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849586321 1067914289 /nfs/dbraw/zinc/91/42/89/1067914289.db2.gz DHVQEHPNIJYQCV-GOTSBHOMSA-N 1 0 394.563 3.839 20 30 GHEDRO C=CCCC1(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCCC1 ZINC000849608945 1067919311 /nfs/dbraw/zinc/91/93/11/1067919311.db2.gz UJAJRCURWBKSIG-SFTDATJTSA-N 1 0 386.584 3.877 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCCC1 ZINC001359268167 1067931446 /nfs/dbraw/zinc/93/14/46/1067931446.db2.gz GOBIIEBORPTQKR-UHFFFAOYSA-N 1 0 390.535 3.871 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359268305 1067931533 /nfs/dbraw/zinc/93/15/33/1067931533.db2.gz LIFPZKCSZCMYDH-HNNXBMFYSA-N 1 0 386.931 3.655 20 30 GHEDRO C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359288443 1067979867 /nfs/dbraw/zinc/97/98/67/1067979867.db2.gz FKCDTOBHGQEOEE-FPOVZHCZSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001359322095 1068031739 /nfs/dbraw/zinc/03/17/39/1068031739.db2.gz POLVKCPEAUSEFF-SFTDATJTSA-N 1 0 397.567 3.561 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001359472888 1068068627 /nfs/dbraw/zinc/06/86/27/1068068627.db2.gz SKOMEYGIGNVSGS-JXFKEZNVSA-N 1 0 398.530 3.974 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001469425220 1068157936 /nfs/dbraw/zinc/15/79/36/1068157936.db2.gz AUAUESSBTGWAIW-HZPDHXFCSA-N 1 0 395.469 3.936 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001469617233 1068261997 /nfs/dbraw/zinc/26/19/97/1068261997.db2.gz CNEICAQQDXNGLU-PKOBYXMFSA-N 1 0 395.469 3.986 20 30 GHEDRO C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001469756182 1068362297 /nfs/dbraw/zinc/36/22/97/1068362297.db2.gz ICIVJOAPXFHZAM-MSOLQXFVSA-N 1 0 376.504 3.927 20 30 GHEDRO CC(C)[NH+](CCCn1c(CC2CC2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C ZINC001360125939 1068375659 /nfs/dbraw/zinc/37/56/59/1068375659.db2.gz ACWMRWDACGFBND-QFIPXVFZSA-N 1 0 386.588 3.870 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1)C(C)C ZINC001360130022 1068378175 /nfs/dbraw/zinc/37/81/75/1068378175.db2.gz ZTVBVJRFMUFZQA-JOCHJYFZSA-N 1 0 397.571 3.532 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC001460527022 1068988039 /nfs/dbraw/zinc/98/80/39/1068988039.db2.gz IBIIYETVVWDKER-XPECPCTNSA-N 1 0 382.552 3.516 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)sc2c1CCC2 ZINC001460616348 1069033039 /nfs/dbraw/zinc/03/30/39/1069033039.db2.gz UXPAZOZUTICYSW-WIYYLYMNSA-N 1 0 395.528 3.635 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001478392962 1078848258 /nfs/dbraw/zinc/84/82/58/1078848258.db2.gz FMTWZXMPOUMBQH-XXBNENTESA-N 1 0 393.531 3.913 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001478392957 1078848418 /nfs/dbraw/zinc/84/84/18/1078848418.db2.gz FMTWZXMPOUMBQH-CVDCTZTESA-N 1 0 393.531 3.913 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC001460934857 1069283747 /nfs/dbraw/zinc/28/37/47/1069283747.db2.gz WKZBMWPMGDGHNQ-ROUUACIJSA-N 1 0 382.533 3.651 20 30 GHEDRO CCC[C@@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001470628972 1072656066 /nfs/dbraw/zinc/65/60/66/1072656066.db2.gz SVTIRCGHDCILQH-HSZRJFAPSA-N 1 0 390.531 3.949 20 30 GHEDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C[C@]2(C)C1 ZINC001470673198 1072681747 /nfs/dbraw/zinc/68/17/47/1072681747.db2.gz BIWWVLSXCPMREE-ZEQRLZLVSA-N 1 0 389.499 3.551 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001471036122 1072895068 /nfs/dbraw/zinc/89/50/68/1072895068.db2.gz RJAXEGSMRVEXIC-UHFFFAOYSA-N 1 0 376.378 3.793 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C ZINC001471037425 1072896549 /nfs/dbraw/zinc/89/65/49/1072896549.db2.gz WCPITVQLDLOYLX-LBIOTDJQSA-N 1 0 379.331 3.873 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)Cc1cc(C#N)cs1 ZINC001471043212 1072900623 /nfs/dbraw/zinc/90/06/23/1072900623.db2.gz NPTPFPFSNHQDNQ-QFBILLFUSA-N 1 0 382.533 3.529 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC001478867981 1079008170 /nfs/dbraw/zinc/00/81/70/1079008170.db2.gz UACKGDJNFISCHP-QFIPXVFZSA-N 1 0 382.552 3.990 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1)c1ccccc1 ZINC001478897041 1079019766 /nfs/dbraw/zinc/01/97/66/1079019766.db2.gz RWBJJXCUVQKCGG-PKTZIBPZSA-N 1 0 375.516 3.913 20 30 GHEDRO CC(C)c1oc([C@@H]2CCCN2C(=O)NCC#CC[NH+](C)C)nc1-c1ccccc1 ZINC001471628678 1073163077 /nfs/dbraw/zinc/16/30/77/1073163077.db2.gz BELNBQXKNRPECC-IBGZPJMESA-N 1 0 394.519 3.877 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]([NH2+]C(C)C)c1ccc(OC)cc1 ZINC001472498022 1073514910 /nfs/dbraw/zinc/51/49/10/1073514910.db2.gz HTDHCJWUYRDSPN-JOCHJYFZSA-N 1 0 377.488 3.821 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](CC)C(=O)OC(C)(C)C ZINC001472961805 1073735938 /nfs/dbraw/zinc/73/59/38/1073735938.db2.gz DBDNGRMFXWQLGD-MRXNPFEDSA-N 1 0 394.585 3.705 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001473333166 1073924238 /nfs/dbraw/zinc/92/42/38/1073924238.db2.gz UMYDBHPXUADMSZ-ZHRRBRCNSA-N 1 0 386.455 3.590 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC001473401059 1073951025 /nfs/dbraw/zinc/95/10/25/1073951025.db2.gz YGKCCXYWPKRPGH-PXNSSMCTSA-N 1 0 384.467 3.790 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001473461705 1073976805 /nfs/dbraw/zinc/97/68/05/1073976805.db2.gz DBIAREIVEQMOCE-UHFFFAOYSA-N 1 0 384.568 3.748 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001473628020 1074057161 /nfs/dbraw/zinc/05/71/61/1074057161.db2.gz XOVKXVQZDCNPDI-NRFANRHFSA-N 1 0 383.580 3.742 20 30 GHEDRO COC(=O)C1(c2ccc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)cc2)CC1 ZINC001473653217 1074068966 /nfs/dbraw/zinc/06/89/66/1074068966.db2.gz KADRKLKHAFELSX-UHFFFAOYSA-N 1 0 390.483 3.558 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001473782345 1074140005 /nfs/dbraw/zinc/14/00/05/1074140005.db2.gz PCDTYIGKBJTVOR-RKVPGOIHSA-N 1 0 387.549 3.717 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1cccc(SC(F)(F)F)c1 ZINC001473809324 1074154704 /nfs/dbraw/zinc/15/47/04/1074154704.db2.gz PPBLDPJNXDILQE-SNVBAGLBSA-N 1 0 393.394 3.769 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)n1 ZINC001473824405 1074161094 /nfs/dbraw/zinc/16/10/94/1074161094.db2.gz IBOMCAZJWMIYGO-IBGZPJMESA-N 1 0 396.560 3.880 20 30 GHEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC001473861859 1074179058 /nfs/dbraw/zinc/17/90/58/1074179058.db2.gz OPTYHJAYKYDJRS-SFHVURJKSA-N 1 0 398.551 3.644 20 30 GHEDRO CC(C)C[C@](C)(NC(=O)NCC#CC[NH+](C)C)c1cccc(Br)c1 ZINC001479620747 1079240266 /nfs/dbraw/zinc/24/02/66/1079240266.db2.gz NCUBPSSTDBTXJK-IBGZPJMESA-N 1 0 394.357 3.575 20 30 GHEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl ZINC001474157502 1074278891 /nfs/dbraw/zinc/27/88/91/1074278891.db2.gz LJSYGHHKIVCEJJ-CQSZACIVSA-N 1 0 386.710 3.674 20 30 GHEDRO Cc1cccc(CN2CCO[C@@H](C[NH2+]Cc3cccc(OCCCC#N)c3)C2)c1 ZINC001474238227 1074304348 /nfs/dbraw/zinc/30/43/48/1074304348.db2.gz IIDHCXPPTBONRH-DEOSSOPVSA-N 1 0 393.531 3.668 20 30 GHEDRO CC(C)(O)C[NH+]1CCC(Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC001474434097 1074404341 /nfs/dbraw/zinc/40/43/41/1074404341.db2.gz MIUMMSNENJAIRJ-UHFFFAOYSA-N 1 0 379.504 3.784 20 30 GHEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC001474460558 1074416016 /nfs/dbraw/zinc/41/60/16/1074416016.db2.gz ZXIDQCZWFFCVEN-UVBJJODRSA-N 1 0 388.817 3.846 20 30 GHEDRO Cc1csc2nc(C)c(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)n12 ZINC001474606924 1074480959 /nfs/dbraw/zinc/48/09/59/1074480959.db2.gz RSQGVJAKTGFCFI-UHFFFAOYSA-N 1 0 379.533 3.639 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(Cl)c1 ZINC001474785354 1074561883 /nfs/dbraw/zinc/56/18/83/1074561883.db2.gz HFKANUSPWDUPMJ-UHFFFAOYSA-N 1 0 395.956 3.679 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001475212066 1074788294 /nfs/dbraw/zinc/78/82/94/1074788294.db2.gz OOFUMXYODJWCRP-UHFFFAOYSA-N 1 0 391.581 3.639 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC001476142153 1075093464 /nfs/dbraw/zinc/09/34/64/1075093464.db2.gz VICNDHYEDHDUBV-ZLGUVYLKSA-N 1 0 376.460 3.812 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001476151440 1075096420 /nfs/dbraw/zinc/09/64/20/1075096420.db2.gz ZQLTVVOXPSJWBB-YKSBVNFPSA-N 1 0 389.499 3.684 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001476201945 1075102848 /nfs/dbraw/zinc/10/28/48/1075102848.db2.gz ZBXRSLJAEZMAMM-LJQANCHMSA-N 1 0 393.491 3.940 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N(CC)CC1CC1 ZINC001496135337 1079457446 /nfs/dbraw/zinc/45/74/46/1079457446.db2.gz XIHOJOIFBVGKRU-QGZVFWFLSA-N 1 0 380.540 3.783 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001496665210 1079477647 /nfs/dbraw/zinc/47/76/47/1079477647.db2.gz OEEVYSVKWZZWLH-WIYYLYMNSA-N 1 0 390.551 3.744 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001497830871 1079518133 /nfs/dbraw/zinc/51/81/33/1079518133.db2.gz VGJPXJPACGNRSX-KRWDZBQOSA-N 1 0 382.556 3.834 20 30 GHEDRO CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001497913461 1079526017 /nfs/dbraw/zinc/52/60/17/1079526017.db2.gz PTKKHVXFBKICHH-VGSWGCGISA-N 1 0 398.530 3.680 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001502078096 1079631602 /nfs/dbraw/zinc/63/16/02/1079631602.db2.gz HTSMQBKROSQKIF-GOSISDBHSA-N 1 0 392.551 3.785 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001621021941 1126244329 /nfs/dbraw/zinc/24/43/29/1126244329.db2.gz CLRLEQSIQAHELM-HXUWFJFHSA-N 1 0 388.305 3.544 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC001656466773 1126257869 /nfs/dbraw/zinc/25/78/69/1126257869.db2.gz QDQIPEQPAMQWQU-PXNSSMCTSA-N 1 0 395.421 3.884 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736756862 600594734 /nfs/dbraw/zinc/59/47/34/600594734.db2.gz WWJJWRXTKHWXSI-PMAPCBKXSA-N 1 0 391.515 3.952 20 30 GHEDRO N#Cc1ccc([C@@H](C(=O)[O-])[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000833072610 601354899 /nfs/dbraw/zinc/35/48/99/601354899.db2.gz VXEYNLXMYPXBIL-LADGPHEKSA-N 1 0 389.499 3.672 20 30 GHEDRO C=CCc1cc(C[N@@H+](CC)[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc(OC)c1O ZINC000823937069 608548960 /nfs/dbraw/zinc/54/89/60/608548960.db2.gz HAIQPWLULZTDMH-HNNXBMFYSA-N 1 0 393.491 3.893 20 30 GHEDRO CC(C)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824261281 608568006 /nfs/dbraw/zinc/56/80/06/608568006.db2.gz HHEKWBFKMNSALG-QGZVFWFLSA-N 1 0 390.491 3.816 20 30 GHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000823915341 608631913 /nfs/dbraw/zinc/63/19/13/608631913.db2.gz VMADHAGBOBQKPP-UHFFFAOYSA-N 1 0 399.882 3.726 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)cc(Cl)n1 ZINC001164386984 718814627 /nfs/dbraw/zinc/81/46/27/718814627.db2.gz CQLPHUWKUZGQFL-CYBMUJFWSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164415052 718879920 /nfs/dbraw/zinc/87/99/20/718879920.db2.gz ZSJRZLJULFWZDN-LBPRGKRZSA-N 1 0 394.775 3.805 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627969 719052083 /nfs/dbraw/zinc/05/20/83/719052083.db2.gz WTQDZRCHEBJPDQ-WBVHZDCISA-N 1 0 399.951 3.824 20 30 GHEDRO N#Cc1cc(C#N)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164621779 719077298 /nfs/dbraw/zinc/07/72/98/719077298.db2.gz HNDNRPQLGOCZJU-VQIMIIECSA-N 1 0 377.879 3.579 20 30 GHEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(Cl)nc1C#N ZINC001164735236 720544477 /nfs/dbraw/zinc/54/44/77/720544477.db2.gz NBCTVIGCTAQVGU-CYBMUJFWSA-N 1 0 398.885 3.668 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164775022 721304019 /nfs/dbraw/zinc/30/40/19/721304019.db2.gz MTAJKARNRJGCDA-UHFFFAOYSA-N 1 0 388.849 3.960 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)cc(C#N)n3)C[C@@H]21 ZINC001165023574 721809259 /nfs/dbraw/zinc/80/92/59/721809259.db2.gz HYBDJPZRDJRDQX-UIAACRFSSA-N 1 0 381.911 3.739 20 30 GHEDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000580687147 837394448 /nfs/dbraw/zinc/39/44/48/837394448.db2.gz NRQGBJKNAHIQKI-GOSISDBHSA-N 1 0 381.476 3.677 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000580905123 837425145 /nfs/dbraw/zinc/42/51/45/837425145.db2.gz PTMWHRWVBDCARQ-JOCHJYFZSA-N 1 0 388.467 3.667 20 30 GHEDRO N#CC1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCCC1 ZINC000066438638 837434811 /nfs/dbraw/zinc/43/48/11/837434811.db2.gz RQUQVKCYGZUHJM-UHFFFAOYSA-N 1 0 382.508 3.914 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000176712098 837508810 /nfs/dbraw/zinc/50/88/10/837508810.db2.gz QCJLXPHXKKVGKB-QFIPXVFZSA-N 1 0 377.488 3.548 20 30 GHEDRO C=CCCC1(CNC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCC1 ZINC000659096372 837528246 /nfs/dbraw/zinc/52/82/46/837528246.db2.gz POKXJMNVJJLRML-UHFFFAOYSA-N 1 0 397.441 3.745 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(Br)c2)c(-c2ccncc2)n1 ZINC000433321472 844011743 /nfs/dbraw/zinc/01/17/43/844011743.db2.gz OCXVLLCXNBCYKV-UHFFFAOYSA-N 1 0 396.292 3.911 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000175768314 837669177 /nfs/dbraw/zinc/66/91/77/837669177.db2.gz BZCCOQAEOZKYBC-UHFFFAOYSA-N 1 0 382.552 3.990 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000583456074 834405998 /nfs/dbraw/zinc/40/59/98/834405998.db2.gz OKJIYBUAGPVOOI-QZTJIDSGSA-N 1 0 390.531 3.511 20 30 GHEDRO COC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(C#N)n1 ZINC000577528594 834432580 /nfs/dbraw/zinc/43/25/80/834432580.db2.gz ILVMILFMVRAYBH-IBGZPJMESA-N 1 0 384.867 3.642 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)Cc3n[nH]c4ccccc34)CCCCC2)CCO1 ZINC000329176180 834516840 /nfs/dbraw/zinc/51/68/40/834516840.db2.gz BTIGYUWJDMWWBD-UHFFFAOYSA-N 1 0 384.524 3.876 20 30 GHEDRO N#Cc1cccc(OCCN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000583523105 834563671 /nfs/dbraw/zinc/56/36/71/834563671.db2.gz MKXJCLRVMZCSPE-LJQANCHMSA-N 1 0 392.377 3.909 20 30 GHEDRO C[NH+](C)Cc1ccnc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000176907266 837784959 /nfs/dbraw/zinc/78/49/59/837784959.db2.gz RVPLMHZRAREKKW-UHFFFAOYSA-N 1 0 386.455 3.846 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)nc1 ZINC000430163915 834716193 /nfs/dbraw/zinc/71/61/93/834716193.db2.gz AJQYHGVFSGLZPE-KRWDZBQOSA-N 1 0 382.895 3.860 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000047009137 834867042 /nfs/dbraw/zinc/86/70/42/834867042.db2.gz UYGKRXVYXPMDHI-UHFFFAOYSA-N 1 0 379.595 3.807 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418590213 834926896 /nfs/dbraw/zinc/92/68/96/834926896.db2.gz TVHLMPCTAJCQDA-LSDHHAIUSA-N 1 0 384.293 3.556 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157564812 834950938 /nfs/dbraw/zinc/95/09/38/834950938.db2.gz NZVMSSNAGHZMTG-SJLPKXTDSA-N 1 0 381.524 3.933 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176972117 837827600 /nfs/dbraw/zinc/82/76/00/837827600.db2.gz DPIXSGBEKKBGIK-LJQANCHMSA-N 1 0 381.455 3.611 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329403113 834982674 /nfs/dbraw/zinc/98/26/74/834982674.db2.gz YRGCKTIZSXRVGT-AZUAARDMSA-N 1 0 385.556 3.875 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000685442351 835012156 /nfs/dbraw/zinc/01/21/56/835012156.db2.gz LZGCGEFMWBPEKP-UHFFFAOYSA-N 1 0 397.563 3.881 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000187118858 835017631 /nfs/dbraw/zinc/01/76/31/835017631.db2.gz PICBSYVJTPMTAG-SFHVURJKSA-N 1 0 390.409 3.679 20 30 GHEDRO C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548811725 835052491 /nfs/dbraw/zinc/05/24/91/835052491.db2.gz GYNHYMJKLUNUKU-WIYYLYMNSA-N 1 0 388.515 3.757 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1Br ZINC000126902326 835220235 /nfs/dbraw/zinc/22/02/35/835220235.db2.gz PQIALZCCQRUCLA-SJCJKPOMSA-N 1 0 375.266 3.714 20 30 GHEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000583903934 835224284 /nfs/dbraw/zinc/22/42/84/835224284.db2.gz SQRMHVHTKFMERY-OAHLLOKOSA-N 1 0 381.442 3.951 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Br)c(F)c3)CC2)nc1 ZINC000157588905 835251956 /nfs/dbraw/zinc/25/19/56/835251956.db2.gz XIEGJSOUKAUWDM-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000433339306 844035093 /nfs/dbraw/zinc/03/50/93/844035093.db2.gz KPVCHYKEBKJYPA-HNNXBMFYSA-N 1 0 379.439 3.857 20 30 GHEDRO COc1ccccc1O[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000375783443 835276178 /nfs/dbraw/zinc/27/61/78/835276178.db2.gz DJJISPDNDSFXTG-INIZCTEOSA-N 1 0 385.489 3.500 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)c(C#N)c1C ZINC000052713780 835305105 /nfs/dbraw/zinc/30/51/05/835305105.db2.gz AHLYUPPNQOXSHW-KRWDZBQOSA-N 1 0 386.540 3.683 20 30 GHEDRO Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000432853962 844046016 /nfs/dbraw/zinc/04/60/16/844046016.db2.gz QDTJSMQBKOSBTC-QGZVFWFLSA-N 1 0 377.492 3.580 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000658062125 835390767 /nfs/dbraw/zinc/39/07/67/835390767.db2.gz YEWSNTNSGLRWDF-LAUBAEHRSA-N 1 0 392.565 3.573 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000612131531 835581441 /nfs/dbraw/zinc/58/14/41/835581441.db2.gz YSBVGSIDYOWJIA-PZJWPPBQSA-N 1 0 383.536 3.687 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc([C@H]3C[NH2+]C[C@H]3OC(C)=O)n2)cc1 ZINC001211728877 844068657 /nfs/dbraw/zinc/06/86/57/844068657.db2.gz OXFOTOBPILQLIL-RBUKOAKNSA-N 1 0 387.480 3.704 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508812159 844069708 /nfs/dbraw/zinc/06/97/08/844069708.db2.gz JYHAVXUIYCLGOE-IFMALSPDSA-N 1 0 391.563 3.816 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2)cc1OCCCC#N ZINC000154423563 835663205 /nfs/dbraw/zinc/66/32/05/835663205.db2.gz LIBNXBCIIAPNLF-IBGZPJMESA-N 1 0 395.503 3.755 20 30 GHEDRO COc1cccc(C(C)(C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278670865 835754522 /nfs/dbraw/zinc/75/45/22/835754522.db2.gz OEODROHWWNIWGK-UHFFFAOYSA-N 1 0 389.503 3.935 20 30 GHEDRO Fc1ccc(-n2ccc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)n2)c(F)c1 ZINC000588589239 835759892 /nfs/dbraw/zinc/75/98/92/835759892.db2.gz SIUBVTMEOAILLR-UHFFFAOYSA-N 1 0 398.413 3.538 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167087621 835778312 /nfs/dbraw/zinc/77/83/12/835778312.db2.gz ZIEKYRVSFPMPMC-UHFFFAOYSA-N 1 0 376.769 3.944 20 30 GHEDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1=O ZINC000584231332 835783059 /nfs/dbraw/zinc/78/30/59/835783059.db2.gz NWRFDFNJHLQAJF-OAQYLSRUSA-N 1 0 377.488 3.626 20 30 GHEDRO C[C@@H](NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000074855136 835784941 /nfs/dbraw/zinc/78/49/41/835784941.db2.gz ISNLKKQKCNDWDX-GCJKJVERSA-N 1 0 376.504 3.925 20 30 GHEDRO C=C(C)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnn(C(C)C)c1 ZINC000512537352 844091406 /nfs/dbraw/zinc/09/14/06/844091406.db2.gz RGAYAQAWRJIQCH-UHFFFAOYSA-N 1 0 385.468 3.779 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(CCCO)CC1 ZINC000611813807 835849469 /nfs/dbraw/zinc/84/94/69/835849469.db2.gz OSEOALPHTMWJOF-HNNXBMFYSA-N 1 0 389.565 3.700 20 30 GHEDRO C[C@@]1(C#N)CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000612365300 836121172 /nfs/dbraw/zinc/12/11/72/836121172.db2.gz HIINJDCRFMQVCG-RBUKOAKNSA-N 1 0 379.426 3.593 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Cn4ccccc4=O)cc3)CC2)cc1 ZINC000375896083 836134079 /nfs/dbraw/zinc/13/40/79/836134079.db2.gz SQLFRPNISIIZTR-UHFFFAOYSA-N 1 0 398.510 3.527 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1 ZINC000275108899 836230813 /nfs/dbraw/zinc/23/08/13/836230813.db2.gz BVYAYRMAASWSBQ-UHFFFAOYSA-N 1 0 385.899 3.523 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)s1 ZINC000065931169 836253026 /nfs/dbraw/zinc/25/30/26/836253026.db2.gz CGTGKEMYDRMISQ-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)ccc1Cl ZINC000613388592 836256672 /nfs/dbraw/zinc/25/66/72/836256672.db2.gz BLMKOOMXKLRSGX-LAUBAEHRSA-N 1 0 399.922 3.649 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C ZINC000612503226 836324533 /nfs/dbraw/zinc/32/45/33/836324533.db2.gz RGWIBOPICNJJPG-QWHCGFSZSA-N 1 0 385.537 3.608 20 30 GHEDRO Cc1nn(C)c(N2CCN(c3cc(C)[nH+]c4c(C)cc(Cl)cc34)CC2)c1C#N ZINC000472437804 836338900 /nfs/dbraw/zinc/33/89/00/836338900.db2.gz CNMLYWYJSHYTHK-UHFFFAOYSA-N 1 0 394.910 3.745 20 30 GHEDRO C[NH+]1CCN(C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)c2ccccc2)CC1 ZINC000613420553 836342378 /nfs/dbraw/zinc/34/23/78/836342378.db2.gz QXESIDGNURMKEX-FQEVSTJZSA-N 1 0 377.536 3.651 20 30 GHEDRO CCC(CC)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000582509860 836349826 /nfs/dbraw/zinc/34/98/26/836349826.db2.gz OQRBGMRMLIEVKP-UHFFFAOYSA-N 1 0 391.924 3.685 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000705664527 836352948 /nfs/dbraw/zinc/35/29/48/836352948.db2.gz WDYJXSOWNQZQLO-PMACEKPBSA-N 1 0 396.332 3.885 20 30 GHEDRO CON=Cc1ccc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000255048818 836452231 /nfs/dbraw/zinc/45/22/31/836452231.db2.gz VMSJPQOQJDTQDJ-QZTJIDSGSA-N 1 0 379.504 3.553 20 30 GHEDRO CON=Cc1ccc(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000255048820 836452248 /nfs/dbraw/zinc/45/22/48/836452248.db2.gz VMSJPQOQJDTQDJ-ROUUACIJSA-N 1 0 379.504 3.553 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)C(C)C ZINC000047633985 836463289 /nfs/dbraw/zinc/46/32/89/836463289.db2.gz PFXXQKIVXAQBDA-SFHVURJKSA-N 1 0 387.549 3.549 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000247012035 836571037 /nfs/dbraw/zinc/57/10/37/836571037.db2.gz XLBQMMVGBAZEHH-LEWJYISDSA-N 1 0 381.451 3.614 20 30 GHEDRO CC(=O)Nc1c(C)ccnc1N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001167152500 836667715 /nfs/dbraw/zinc/66/77/15/836667715.db2.gz JYUYPIVLUHKIEJ-UHFFFAOYSA-N 1 0 384.867 3.921 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892511410 836717431 /nfs/dbraw/zinc/71/74/31/836717431.db2.gz DMBYOOHJZBSMMP-HNNXBMFYSA-N 1 0 388.562 3.735 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000175576375 836895943 /nfs/dbraw/zinc/89/59/43/836895943.db2.gz PWIKPCKTYGGNNC-NRFANRHFSA-N 1 0 398.551 3.839 20 30 GHEDRO COc1cccc(C2([NH2+]CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)c1 ZINC000510251775 837019687 /nfs/dbraw/zinc/01/96/87/837019687.db2.gz IJDMTOYTNKVTFA-UHFFFAOYSA-N 1 0 377.488 3.838 20 30 GHEDRO Cc1cc(-c2noc([C@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)ccc1Cl ZINC001211640688 837030814 /nfs/dbraw/zinc/03/08/14/837030814.db2.gz NBJHFPMERUVTPW-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(CO)c1 ZINC000027324881 837043373 /nfs/dbraw/zinc/04/33/73/837043373.db2.gz XQFWPEXMCIVJBJ-UHFFFAOYSA-O 1 0 385.553 3.918 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(N(C)C)cc1 ZINC000027324584 837043688 /nfs/dbraw/zinc/04/36/88/837043688.db2.gz SQNNYKDWJKUGTR-UHFFFAOYSA-O 1 0 376.571 3.739 20 30 GHEDRO C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000027488035 837054233 /nfs/dbraw/zinc/05/42/33/837054233.db2.gz IWFUBMZGOGJXHG-YJBOKZPZSA-O 1 0 398.508 3.989 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)CSCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000134942092 837128611 /nfs/dbraw/zinc/12/86/11/837128611.db2.gz CHHGOJBFIVLKIN-LAUBAEHRSA-N 1 0 379.529 3.571 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176109323 837167897 /nfs/dbraw/zinc/16/78/97/837167897.db2.gz RLWJASCJBRHZBG-FXAWDEMLSA-N 1 0 379.529 3.820 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000547848025 837252226 /nfs/dbraw/zinc/25/22/26/837252226.db2.gz OFOOZCYVKWOXFO-FQEVSTJZSA-N 1 0 378.476 3.599 20 30 GHEDRO CCOC(=O)Nc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1C#N ZINC000180463838 837286983 /nfs/dbraw/zinc/28/69/83/837286983.db2.gz BRYDBTRGSFUMDT-UHFFFAOYSA-N 1 0 379.464 3.598 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(Br)c1 ZINC000181108749 837839394 /nfs/dbraw/zinc/83/93/94/837839394.db2.gz YOEDBVDEPOLOMW-UHFFFAOYSA-N 1 0 396.292 3.743 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000893060746 837891986 /nfs/dbraw/zinc/89/19/86/837891986.db2.gz LOCCYDGZVRKZFU-INIZCTEOSA-N 1 0 382.533 3.987 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000121056024 838132150 /nfs/dbraw/zinc/13/21/50/838132150.db2.gz LAMBQEICHRFHKA-UHFFFAOYSA-N 1 0 394.471 3.831 20 30 GHEDRO N#Cc1ccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1Cl ZINC000547976114 838165765 /nfs/dbraw/zinc/16/57/65/838165765.db2.gz JSSILHPYFQBXDS-UHFFFAOYSA-N 1 0 383.879 3.616 20 30 GHEDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659311960 838271014 /nfs/dbraw/zinc/27/10/14/838271014.db2.gz ACDVIKAXXFROST-GFCCVEGCSA-N 1 0 398.322 3.848 20 30 GHEDRO Cn1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000189596882 838304014 /nfs/dbraw/zinc/30/40/14/838304014.db2.gz GLZHGNOFQAMDQT-MJGOQNOKSA-N 1 0 392.425 3.532 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C#N)c3C)CC2)cc1 ZINC000178564102 838403507 /nfs/dbraw/zinc/40/35/07/838403507.db2.gz CVZKGEKWMZZNOL-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000178579888 838410363 /nfs/dbraw/zinc/41/03/63/838410363.db2.gz RIZKTQDTOIUWGL-SFHVURJKSA-N 1 0 392.503 3.888 20 30 GHEDRO CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416097751 838541807 /nfs/dbraw/zinc/54/18/07/838541807.db2.gz FYZGCYLKFRBRIH-UHFFFAOYSA-N 1 0 378.476 3.692 20 30 GHEDRO CCN1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549113475 838567961 /nfs/dbraw/zinc/56/79/61/838567961.db2.gz LKTGZGWECDAZDL-CTNGQTDRSA-N 1 0 389.421 3.779 20 30 GHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000610343583 838571447 /nfs/dbraw/zinc/57/14/47/838571447.db2.gz LSZLMPRYHOJBBD-HZPDHXFCSA-N 1 0 379.460 3.801 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610348655 838599837 /nfs/dbraw/zinc/59/98/37/838599837.db2.gz ZJJBQQRLFSOULT-SFHVURJKSA-N 1 0 394.519 3.839 20 30 GHEDRO N#Cc1csc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000177690116 838663074 /nfs/dbraw/zinc/66/30/74/838663074.db2.gz DTRKWTBIPUNFTK-CYBMUJFWSA-N 1 0 376.323 3.998 20 30 GHEDRO COC(=O)c1cc2cc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)ccc2o1 ZINC000376738172 838674038 /nfs/dbraw/zinc/67/40/38/838674038.db2.gz CTFUSWBWDXUFGP-UHFFFAOYSA-N 1 0 375.428 3.672 20 30 GHEDRO CCN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000118880643 838753877 /nfs/dbraw/zinc/75/38/77/838753877.db2.gz VKZJPHJFAVSLPR-LJQANCHMSA-N 1 0 390.531 3.529 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000580066547 838792100 /nfs/dbraw/zinc/79/21/00/838792100.db2.gz VOLALLVEPZFPBL-NQIIRXRSSA-N 1 0 381.520 3.603 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000419369443 844371291 /nfs/dbraw/zinc/37/12/91/844371291.db2.gz HTPRZUURMXMNIF-RBUKOAKNSA-N 1 0 387.405 3.641 20 30 GHEDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000049975824 838969022 /nfs/dbraw/zinc/96/90/22/838969022.db2.gz YJXBTXJMPTZZAE-UHFFFAOYSA-N 1 0 385.467 3.674 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000414998115 839042983 /nfs/dbraw/zinc/04/29/83/839042983.db2.gz HWHDTVABFMDUFR-MOPGFXCFSA-N 1 0 396.466 3.833 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)cc1 ZINC000415034925 839098905 /nfs/dbraw/zinc/09/89/05/839098905.db2.gz ILPISTJPXJTJDF-ORYQWCPZSA-N 1 0 376.460 3.942 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610407065 839121788 /nfs/dbraw/zinc/12/17/88/839121788.db2.gz PDCTURUWXCJYCR-AVRDEDQJSA-N 1 0 391.519 3.710 20 30 GHEDRO N#CCc1ccc(C(F)(F)F)cc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167374633 839177806 /nfs/dbraw/zinc/17/78/06/839177806.db2.gz OQVAFUFKOABOBZ-UHFFFAOYSA-N 1 0 375.394 3.506 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000415083328 839178943 /nfs/dbraw/zinc/17/89/43/839178943.db2.gz NBMSIPJFDLEKPJ-MAUKXSAKSA-N 1 0 394.475 3.950 20 30 GHEDRO CCC(CC)n1ncc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000378500354 839230826 /nfs/dbraw/zinc/23/08/26/839230826.db2.gz XHZIIRZBSZYAMI-UHFFFAOYSA-N 1 0 393.535 3.841 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415119856 839238122 /nfs/dbraw/zinc/23/81/22/839238122.db2.gz XXPPIQGGHVPCFW-UHFFFAOYSA-N 1 0 391.924 3.664 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415127683 839254328 /nfs/dbraw/zinc/25/43/28/839254328.db2.gz SDNALTGSIGIWNO-JXFKEZNVSA-N 1 0 392.503 3.894 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000561046628 839290667 /nfs/dbraw/zinc/29/06/67/839290667.db2.gz VMKBVXCGDXBWIX-UHFFFAOYSA-N 1 0 390.487 3.716 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000177757746 839439561 /nfs/dbraw/zinc/43/95/61/839439561.db2.gz FUPZIZLJJMWLQL-YADHBBJMSA-N 1 0 389.499 3.836 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(OCC#N)cc1 ZINC000184557395 839507777 /nfs/dbraw/zinc/50/77/77/839507777.db2.gz PDPUAWSLXJXXBU-QFIPXVFZSA-N 1 0 394.519 3.545 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000416705246 839556002 /nfs/dbraw/zinc/55/60/02/839556002.db2.gz URIQWSUPIFDMOI-OAQYLSRUSA-N 1 0 380.467 3.636 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549251532 839581286 /nfs/dbraw/zinc/58/12/86/839581286.db2.gz UZSKFDOHMHEJJA-IBGZPJMESA-N 1 0 385.531 3.752 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000580486038 839657796 /nfs/dbraw/zinc/65/77/96/839657796.db2.gz MOCOFZMKMWNDTR-ICSRJNTNSA-N 1 0 395.572 3.788 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000122511433 839674021 /nfs/dbraw/zinc/67/40/21/839674021.db2.gz QRCUFOYSWYXMQS-MBSDFSHPSA-N 1 0 385.515 3.569 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCc2cccc(C#N)c2)cc1 ZINC000579747488 839905085 /nfs/dbraw/zinc/90/50/85/839905085.db2.gz PCZSNTHGTKHGBK-IBGZPJMESA-N 1 0 390.531 3.975 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cn2)CCO1 ZINC000580749611 840129168 /nfs/dbraw/zinc/12/91/68/840129168.db2.gz KEXNFAFBYKPRLP-JTSKRJEESA-N 1 0 376.504 3.736 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000513121348 844519154 /nfs/dbraw/zinc/51/91/54/844519154.db2.gz CDZBTXQKMHZWEK-UHFFFAOYSA-N 1 0 380.536 3.936 20 30 GHEDRO NC(CCc1ccccc1)=NOCc1nnc(-c2ccc(Br)o2)o1 ZINC000194565205 840314939 /nfs/dbraw/zinc/31/49/39/840314939.db2.gz YDDLYUXLGVMAGC-UHFFFAOYSA-N 1 0 391.225 3.514 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000328756666 840408791 /nfs/dbraw/zinc/40/87/91/840408791.db2.gz UHVYORABNACXNF-CGXNFDGLSA-N 1 0 385.552 3.748 20 30 GHEDRO CC(C)(CCO)Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001167741451 840453861 /nfs/dbraw/zinc/45/38/61/840453861.db2.gz VGMOMXFIJQZXOT-UHFFFAOYSA-N 1 0 378.520 3.712 20 30 GHEDRO COc1ccc(CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1OC ZINC000160695249 840455974 /nfs/dbraw/zinc/45/59/74/840455974.db2.gz FSFRFQJQMGKKJV-UHFFFAOYSA-N 1 0 397.397 3.962 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 ZINC000511711644 840542803 /nfs/dbraw/zinc/54/28/03/840542803.db2.gz DTLKPEJAOMCNSR-FQEVSTJZSA-N 1 0 389.455 3.763 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418563860 840578684 /nfs/dbraw/zinc/57/86/84/840578684.db2.gz IOFZPSABTCWVCE-VQIMIIECSA-N 1 0 391.487 3.870 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCCN(Cc3cc(F)c(F)cc3OC)C2)CC1 ZINC001143387565 840620830 /nfs/dbraw/zinc/62/08/30/840620830.db2.gz MRNCCWQLLFTPCL-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000581111809 840724958 /nfs/dbraw/zinc/72/49/58/840724958.db2.gz LEJJZWKWEATQDT-VHBXLISGSA-N 1 0 379.508 3.693 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417374727 840772763 /nfs/dbraw/zinc/77/27/63/840772763.db2.gz YNLMTQMCUWHMMQ-VFNWGFHPSA-N 1 0 391.471 3.729 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000417391222 840807818 /nfs/dbraw/zinc/80/78/18/840807818.db2.gz RIBRQBANJOTBQL-YWZLYKJASA-N 1 0 393.487 3.960 20 30 GHEDRO C=CCOc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1Cl ZINC000584866492 841121231 /nfs/dbraw/zinc/12/12/31/841121231.db2.gz VNSAZGCLPYWDFF-YOFSQIOKSA-N 1 0 389.971 3.648 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000301103179 841122171 /nfs/dbraw/zinc/12/21/71/841122171.db2.gz SDTBDKYCWNJYAL-UHFFFAOYSA-N 1 0 389.528 3.764 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000301448599 841183361 /nfs/dbraw/zinc/18/33/61/841183361.db2.gz ZOJIGQPITMWHPC-UHFFFAOYSA-N 1 0 384.911 3.841 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)c2)CC1 ZINC000125031364 841186542 /nfs/dbraw/zinc/18/65/42/841186542.db2.gz AMXSNMMFNCHZAS-SFHVURJKSA-N 1 0 391.519 3.528 20 30 GHEDRO CCCN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)C1CC[NH2+]CC1 ZINC000417980077 841353066 /nfs/dbraw/zinc/35/30/66/841353066.db2.gz IBMTVYWVFDFLEB-UHFFFAOYSA-N 1 0 376.504 3.899 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(OC)c(F)c1 ZINC000684255295 841368420 /nfs/dbraw/zinc/36/84/20/841368420.db2.gz SDUCJLLVCFPNQE-UHFFFAOYSA-N 1 0 390.528 3.933 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NC)cc1 ZINC000027300679 841377296 /nfs/dbraw/zinc/37/72/96/841377296.db2.gz YIYYGCDYHQWYHP-UHFFFAOYSA-O 1 0 383.537 3.971 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCCc3ccccc3)CC2)cc1 ZINC000603803237 861202119 /nfs/dbraw/zinc/20/21/19/861202119.db2.gz UJQYOPFOYVAEFL-UHFFFAOYSA-N 1 0 390.531 3.798 20 30 GHEDRO NCC(F)(F)CNC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000418065117 841461559 /nfs/dbraw/zinc/46/15/59/841461559.db2.gz VQMGMWWBKNZKEE-SNVBAGLBSA-N 1 0 393.278 3.592 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599434075 861205383 /nfs/dbraw/zinc/20/53/83/861205383.db2.gz QIPQOXVATYXTFY-UHFFFAOYSA-N 1 0 383.517 3.756 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1OC ZINC000623560720 861205679 /nfs/dbraw/zinc/20/56/79/861205679.db2.gz PWYSDDUXIJMGQT-KRWDZBQOSA-N 1 0 388.895 3.779 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000418104672 841511409 /nfs/dbraw/zinc/51/14/09/841511409.db2.gz YGELDVAFRSWNPL-JOCHJYFZSA-N 1 0 387.487 3.902 20 30 GHEDRO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cnc1N1CCCC[C@H]1C ZINC000329254632 861208521 /nfs/dbraw/zinc/20/85/21/861208521.db2.gz WZHWSSCIMLBFEW-QWFCFKBJSA-N 1 0 385.556 3.873 20 30 GHEDRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418143909 841554449 /nfs/dbraw/zinc/55/44/49/841554449.db2.gz JNBIEZKEODADAT-HRAATJIYSA-N 1 0 377.488 3.872 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(NC([O-])=[NH+]c2ccccc2)c1 ZINC000329260039 861216950 /nfs/dbraw/zinc/21/69/50/861216950.db2.gz CRWPZLWXGPWCAH-JKSUJKDBSA-N 1 0 381.480 3.914 20 30 GHEDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000126597132 841702021 /nfs/dbraw/zinc/70/20/21/841702021.db2.gz HGJBCUBHGLKGDS-AWEZNQCLSA-N 1 0 388.537 3.630 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000661416200 841724578 /nfs/dbraw/zinc/72/45/78/841724578.db2.gz WUGMDZTZDRMKSY-UNMCSNQZSA-N 1 0 385.552 3.577 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000661416198 841724720 /nfs/dbraw/zinc/72/47/20/841724720.db2.gz WUGMDZTZDRMKSY-IRLDBZIGSA-N 1 0 385.552 3.577 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC2(CCCCC2)O1 ZINC000594613147 841732883 /nfs/dbraw/zinc/73/28/83/841732883.db2.gz AATRWCZFWGXDPA-GOSISDBHSA-N 1 0 379.508 3.782 20 30 GHEDRO Cc1nnc(CNC(N[C@@H](C)c2ccccc2)=[NH+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1C ZINC000330362966 841761241 /nfs/dbraw/zinc/76/12/41/841761241.db2.gz JYUXJAGJNFRYLO-VRXWPRPYSA-N 1 0 394.567 3.889 20 30 GHEDRO CNC(=O)c1cccc(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000123599844 841806766 /nfs/dbraw/zinc/80/67/66/841806766.db2.gz NBBZLXUNFQBERT-UHFFFAOYSA-N 1 0 399.494 3.829 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C[NH+]1CCCC1 ZINC000603829541 861241353 /nfs/dbraw/zinc/24/13/53/861241353.db2.gz YSBZXEIDXDVFRH-INIZCTEOSA-N 1 0 379.464 3.599 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000595255485 841867489 /nfs/dbraw/zinc/86/74/89/841867489.db2.gz DIVHBYXDSPSJNB-LBPRGKRZSA-N 1 0 384.292 3.862 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2ccc(C#N)cc2F)CC1 ZINC000566652434 841903050 /nfs/dbraw/zinc/90/30/50/841903050.db2.gz PBXJOMJONAMMJJ-UHFFFAOYSA-N 1 0 397.519 3.879 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000161832230 861259798 /nfs/dbraw/zinc/25/97/98/861259798.db2.gz PNVAWMTZLBLMAX-UHFFFAOYSA-N 1 0 388.418 3.755 20 30 GHEDRO CN(C(=O)C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000604520747 842055901 /nfs/dbraw/zinc/05/59/01/842055901.db2.gz KUIQOICEDBEVFA-IRLDBZIGSA-N 1 0 383.536 3.771 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000061307798 861279965 /nfs/dbraw/zinc/27/99/65/861279965.db2.gz PXULMDJVDDZBHG-KRWDZBQOSA-N 1 0 395.528 3.822 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N(C)Cc2cc(C#N)cs2)[NH+]2CCCC2)c1 ZINC000891553227 842304987 /nfs/dbraw/zinc/30/49/87/842304987.db2.gz QQFDVAVKIFJTHV-HXUWFJFHSA-N 1 0 398.532 3.607 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000175947958 842447516 /nfs/dbraw/zinc/44/75/16/842447516.db2.gz QJENDGAVZSGQQD-UHFFFAOYSA-N 1 0 382.483 3.749 20 30 GHEDRO Cc1nc([C@H]2CCCN2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)no1 ZINC000329349594 861313225 /nfs/dbraw/zinc/31/32/25/861313225.db2.gz DBHFIRKICAQTNC-RAFMOHDBSA-N 1 0 395.507 3.625 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)/C=C\c2ccccc2C#N)CCOCC1)c1ccccc1 ZINC000255378026 842477583 /nfs/dbraw/zinc/47/75/83/842477583.db2.gz QHNXEOKDGYKSBE-JZHDPFOFSA-N 1 0 389.499 3.588 20 30 GHEDRO C[C@H]1CN([C@H](C[NH2+]Cc2ccc(C#N)s2)c2c(F)cccc2Cl)CCO1 ZINC000247408990 842511700 /nfs/dbraw/zinc/51/17/00/842511700.db2.gz YNQCVARXMQSDRR-SCLBCKFNSA-N 1 0 393.915 3.964 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000247409895 842520278 /nfs/dbraw/zinc/52/02/78/842520278.db2.gz IRMBPSJQFIKBNC-FGTMMUONSA-N 1 0 377.488 3.658 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)CCCC2 ZINC000599553354 861325883 /nfs/dbraw/zinc/32/58/83/861325883.db2.gz QFRFELHMGMDAEY-KGLIPLIRSA-N 1 0 375.563 3.797 20 30 GHEDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)Nc1c(Cl)cccc1Cl ZINC000328852111 842639651 /nfs/dbraw/zinc/63/96/51/842639651.db2.gz WWYKXZJRAQBKJM-DAXOMENPSA-N 1 0 387.307 3.833 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000512158087 842673338 /nfs/dbraw/zinc/67/33/38/842673338.db2.gz JBVOMZGOAHXFIZ-YLJYHZDGSA-N 1 0 385.508 3.621 20 30 GHEDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000187630705 842795573 /nfs/dbraw/zinc/79/55/73/842795573.db2.gz DXCQMIBWRQZHFI-VFNWGFHPSA-N 1 0 389.565 3.558 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549637337 842831617 /nfs/dbraw/zinc/83/16/17/842831617.db2.gz DUJDJDPLFNUGPJ-LJQANCHMSA-N 1 0 385.531 3.752 20 30 GHEDRO CSc1cccc(N(C(=O)c2cnn(CCC#N)c2C)C2CC[NH+](C)CC2)c1 ZINC000888937116 842907797 /nfs/dbraw/zinc/90/77/97/842907797.db2.gz AYXBXCDAKOHGIY-UHFFFAOYSA-N 1 0 397.548 3.568 20 30 GHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)sc2C1 ZINC000572030407 842920136 /nfs/dbraw/zinc/92/01/36/842920136.db2.gz YDKWWJUPQXTCCP-JKSUJKDBSA-N 1 0 380.517 3.914 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OCC(C)C ZINC000067011100 843019775 /nfs/dbraw/zinc/01/97/75/843019775.db2.gz LWPVWSWXSVLZNC-UHFFFAOYSA-N 1 0 394.519 3.755 20 30 GHEDRO COc1ccc([C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1 ZINC000279406261 843045988 /nfs/dbraw/zinc/04/59/88/843045988.db2.gz NCFOZORJXQNZQK-HXUWFJFHSA-N 1 0 387.487 3.857 20 30 GHEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000510628477 843081539 /nfs/dbraw/zinc/08/15/39/843081539.db2.gz IMQFASRQMFRFPV-MSOLQXFVSA-N 1 0 389.565 3.843 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](C2CC2)CC1 ZINC000549657948 843142826 /nfs/dbraw/zinc/14/28/26/843142826.db2.gz OPYJSCOTOHXFLD-UHFFFAOYSA-N 1 0 388.519 3.662 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1Cl ZINC000510661746 843151163 /nfs/dbraw/zinc/15/11/63/843151163.db2.gz APGBQELTWMEYEO-FQEVSTJZSA-N 1 0 383.879 3.522 20 30 GHEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000320207145 843170210 /nfs/dbraw/zinc/17/02/10/843170210.db2.gz DPWRRIICDOCKQD-NSHDSACASA-N 1 0 393.119 3.637 20 30 GHEDRO CC(C)[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1nc(C2CC2)no1 ZINC000329418011 861393049 /nfs/dbraw/zinc/39/30/49/861393049.db2.gz ZPLQZSXKDUKBGU-CVEARBPZSA-N 1 0 378.542 3.818 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CCC[NH2+]1 ZINC000662437940 843245071 /nfs/dbraw/zinc/24/50/71/843245071.db2.gz KHNDAXCCJCIPIT-QGZVFWFLSA-N 1 0 378.498 3.606 20 30 GHEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000178679512 861396169 /nfs/dbraw/zinc/39/61/69/861396169.db2.gz HYNUBTPREQUESQ-SJORKVTESA-N 1 0 380.448 3.889 20 30 GHEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000178679538 861396857 /nfs/dbraw/zinc/39/68/57/861396857.db2.gz HYNUBTPREQUESQ-IAGOWNOFSA-N 1 0 380.448 3.889 20 30 GHEDRO CC(C)[C@@H](CNC(=O)Cc1cc(F)cc2c1OCOC2)[NH+]1CCC(C)CC1 ZINC000328980742 843286629 /nfs/dbraw/zinc/28/66/29/843286629.db2.gz RODQFTYVPYJNCV-LJQANCHMSA-N 1 0 378.488 3.948 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc(OC)c1O ZINC000091685812 843328397 /nfs/dbraw/zinc/32/83/97/843328397.db2.gz ZMLWLAUNLBVXJW-LJQANCHMSA-N 1 0 395.503 3.683 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000329426329 861404154 /nfs/dbraw/zinc/40/41/54/861404154.db2.gz ITVRSAMLDOPPSD-WMZOPIPTSA-N 1 0 396.491 3.762 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000899641345 861404410 /nfs/dbraw/zinc/40/44/10/861404410.db2.gz XPAURKVHDHAXMP-UHFFFAOYSA-N 1 0 384.574 3.591 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000511974865 843372488 /nfs/dbraw/zinc/37/24/88/843372488.db2.gz WHMQRHALTYMATK-NEPJUHHUSA-N 1 0 378.822 3.850 20 30 GHEDRO C[NH+](C)C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000599628405 861417106 /nfs/dbraw/zinc/41/71/06/861417106.db2.gz SJDFGOCUWAAYAM-GOSISDBHSA-N 1 0 391.302 3.696 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccccc2OC)[n+]2cccc(C)c2)cn1 ZINC000171086843 861423645 /nfs/dbraw/zinc/42/36/45/861423645.db2.gz RHSCDLGVPOWPQC-UHFFFAOYSA-O 1 0 395.508 3.558 20 30 GHEDRO CC(C)[C@@H](NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000599632579 861425931 /nfs/dbraw/zinc/42/59/31/861425931.db2.gz BJVBCGFHJIYCEP-HSZRJFAPSA-N 1 0 391.515 3.667 20 30 GHEDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C2 ZINC000614035482 843523641 /nfs/dbraw/zinc/52/36/41/843523641.db2.gz QTLIJGBCVVXYLW-UHFFFAOYSA-N 1 0 398.322 3.754 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000178503722 843542254 /nfs/dbraw/zinc/54/22/54/843542254.db2.gz OXLXNYDDVXQYJR-SCLBCKFNSA-N 1 0 375.266 3.563 20 30 GHEDRO C=C(C)C(C)(C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001126282405 843596091 /nfs/dbraw/zinc/59/60/91/843596091.db2.gz QISIUUPALKSNGX-UHFFFAOYSA-N 1 0 383.458 3.676 20 30 GHEDRO C[NH+](C)C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000599626015 861453064 /nfs/dbraw/zinc/45/30/64/861453064.db2.gz CQUCHBHKVCMSSA-OAHLLOKOSA-N 1 0 397.331 3.758 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCCC[C@H]1C ZINC000603961512 861454401 /nfs/dbraw/zinc/45/44/01/861454401.db2.gz ZKISIHOGOBKVHX-IAGOWNOFSA-N 1 0 381.476 3.723 20 30 GHEDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000891916967 843798189 /nfs/dbraw/zinc/79/81/89/843798189.db2.gz OWNPKSZBLDKZJQ-FGZHOGPDSA-N 1 0 392.503 3.786 20 30 GHEDRO Cc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000512829204 843823619 /nfs/dbraw/zinc/82/36/19/843823619.db2.gz UVXBKGUFYSWCQU-LJQANCHMSA-N 1 0 398.478 3.597 20 30 GHEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1 ZINC000512893900 843946365 /nfs/dbraw/zinc/94/63/65/843946365.db2.gz GMJRCKHZMXQEAX-UHFFFAOYSA-N 1 0 378.288 3.975 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000731114825 861475620 /nfs/dbraw/zinc/47/56/20/861475620.db2.gz OYILNVOWSQATEK-OAQYLSRUSA-N 1 0 377.488 3.657 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1coc2ccccc12 ZINC000512906637 843984347 /nfs/dbraw/zinc/98/43/47/843984347.db2.gz HHWYMDLLSVYUPM-UHFFFAOYSA-N 1 0 376.460 3.578 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000432957993 844740137 /nfs/dbraw/zinc/74/01/37/844740137.db2.gz DJVCNJFWSWTTAG-FVRICEFQSA-N 1 0 393.535 3.623 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000047051605 844775175 /nfs/dbraw/zinc/77/51/75/844775175.db2.gz SADMEULEJCGOCR-SFHVURJKSA-N 1 0 392.503 3.545 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508807302 844787764 /nfs/dbraw/zinc/78/77/64/844787764.db2.gz BQMSSKZAPXVYEY-MSOLQXFVSA-N 1 0 399.514 3.808 20 30 GHEDRO N#CCOc1ccc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000729266809 844819815 /nfs/dbraw/zinc/81/98/15/844819815.db2.gz DZGFUXMSHAMPDM-UHFFFAOYSA-N 1 0 375.472 3.646 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000729267297 844820805 /nfs/dbraw/zinc/82/08/05/844820805.db2.gz PUCAUHZINDLBIM-HXUWFJFHSA-N 1 0 378.476 3.765 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000512630066 844838585 /nfs/dbraw/zinc/83/85/85/844838585.db2.gz LLEQZKWPLYCLER-LBPRGKRZSA-N 1 0 390.256 3.540 20 30 GHEDRO CCC(C#N)(CC)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599704303 861514850 /nfs/dbraw/zinc/51/48/50/861514850.db2.gz HTOSUMCPBWGIGQ-IBGZPJMESA-N 1 0 379.508 3.907 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)NCCc1cccc2cccnc21)c1ccccc1 ZINC000433019202 844971321 /nfs/dbraw/zinc/97/13/21/844971321.db2.gz MBCLVPYMJKVQFU-QFIPXVFZSA-N 1 0 386.499 3.918 20 30 GHEDRO COC[C@H](C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000599682401 861523455 /nfs/dbraw/zinc/52/34/55/861523455.db2.gz JBHKDRZUFRXGCL-JTSKRJEESA-N 1 0 377.488 3.911 20 30 GHEDRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000120468399 845136107 /nfs/dbraw/zinc/13/61/07/845136107.db2.gz RNIPFZCFNTXRDA-UHFFFAOYSA-N 1 0 375.538 3.576 20 30 GHEDRO C=CCSCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179341983 861539104 /nfs/dbraw/zinc/53/91/04/861539104.db2.gz IREFUBZSBWGLOS-YOEHRIQHSA-N 1 0 385.936 3.690 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513299130 845214395 /nfs/dbraw/zinc/21/43/95/845214395.db2.gz CMNMXCHKCMQIKO-GMAHTHKFSA-N 1 0 391.515 3.742 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)CC1 ZINC000433741281 845261890 /nfs/dbraw/zinc/26/18/90/845261890.db2.gz HCANKUVMNYYVIZ-UHFFFAOYSA-N 1 0 388.418 3.924 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182800885 845544053 /nfs/dbraw/zinc/54/40/53/845544053.db2.gz LRPSBOMUXYPJOV-CYBMUJFWSA-N 1 0 397.426 3.501 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3snc(Cl)c3C#N)cc2)C[C@H](C)O1 ZINC000051956977 845573705 /nfs/dbraw/zinc/57/37/05/845573705.db2.gz HEUGGECXDTVSFG-BETUJISGSA-N 1 0 376.913 3.889 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277403945 846031657 /nfs/dbraw/zinc/03/16/57/846031657.db2.gz JEAXCEIMNGZKHR-IRXDYDNUSA-N 1 0 390.553 3.703 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000329554562 861650478 /nfs/dbraw/zinc/65/04/78/861650478.db2.gz BHGMENGZODOAHJ-HNNXBMFYSA-N 1 0 399.491 3.928 20 30 GHEDRO CC[C@H]1C[C@]1([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(C)c1 ZINC000502560603 846205510 /nfs/dbraw/zinc/20/55/10/846205510.db2.gz RPXIOKMBLSCSGC-YADARESESA-N 1 0 399.498 3.906 20 30 GHEDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000016402169 846237122 /nfs/dbraw/zinc/23/71/22/846237122.db2.gz DMVCLUNVICEIPT-QGZVFWFLSA-N 1 0 391.471 3.728 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414538268 846406732 /nfs/dbraw/zinc/40/67/32/846406732.db2.gz LYOPIXKYBGOLOH-QKNQBKEWSA-N 1 0 395.551 3.662 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[NH+](C)C)C2)cc1OCC ZINC000179632719 861674313 /nfs/dbraw/zinc/67/43/13/861674313.db2.gz GPNXQKXFYRNDOC-HNNXBMFYSA-N 1 0 397.357 3.796 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(CCC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000280509439 846428937 /nfs/dbraw/zinc/42/89/37/846428937.db2.gz DOAPWIMQIDUPIR-UHFFFAOYSA-O 1 0 382.553 3.707 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)N[C@H](C)CC)[n+]2cccc(CO)c2)cc1 ZINC000280553374 846433523 /nfs/dbraw/zinc/43/35/23/846433523.db2.gz JKOSCGAHMNHUHT-MRXNPFEDSA-O 1 0 385.553 3.746 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000280732388 846514175 /nfs/dbraw/zinc/51/41/75/846514175.db2.gz RDELJGDGXJKSLN-HRAATJIYSA-N 1 0 378.476 3.705 20 30 GHEDRO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551787940 846519835 /nfs/dbraw/zinc/51/98/35/846519835.db2.gz PPXCDYDTGMUDAE-JOCHJYFZSA-N 1 0 387.531 3.769 20 30 GHEDRO Cc1cc(NC(=O)c2cscc2C#N)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000551893694 846566890 /nfs/dbraw/zinc/56/68/90/846566890.db2.gz IVLSNTFSSAIMBL-GOSISDBHSA-N 1 0 391.500 3.824 20 30 GHEDRO COc1cc2c(cc1C[NH+]1CCC(Oc3cccc(C#N)c3)CC1)O[C@H](C)C2 ZINC000551986079 846625675 /nfs/dbraw/zinc/62/56/75/846625675.db2.gz ZNSHSAFUVYVWSJ-MRXNPFEDSA-N 1 0 378.472 3.934 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000419611666 846698748 /nfs/dbraw/zinc/69/87/48/846698748.db2.gz KXEGFPZKBGIRPU-YADHBBJMSA-N 1 0 392.503 3.546 20 30 GHEDRO COc1cc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(F)cc1C#N ZINC000599815678 861717040 /nfs/dbraw/zinc/71/70/40/861717040.db2.gz AIFUBBBNBLETPH-KRWDZBQOSA-N 1 0 390.846 3.784 20 30 GHEDRO COCC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000451696092 846781128 /nfs/dbraw/zinc/78/11/28/846781128.db2.gz RTPQWLNTNBCRSC-SFHVURJKSA-N 1 0 391.393 3.883 20 30 GHEDRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)C[NH+]1CCCCC1 ZINC000329593678 861728709 /nfs/dbraw/zinc/72/87/09/861728709.db2.gz OLGLWKOEYIOQHV-FYQPLNBISA-N 1 0 385.556 3.693 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(OC)c(C#N)cc1F)c1ccsc1 ZINC000599819518 861730100 /nfs/dbraw/zinc/73/01/00/861730100.db2.gz KFILWSPNMPTHMW-QGZVFWFLSA-N 1 0 390.484 3.972 20 30 GHEDRO CSc1nnc(CCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)n1CC(C)C ZINC000271807955 846925320 /nfs/dbraw/zinc/92/53/20/846925320.db2.gz ADLZVAOIVYSGJX-MRXNPFEDSA-N 1 0 387.553 3.842 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cncc(Br)c3)CC2)nc1 ZINC000183760349 847037357 /nfs/dbraw/zinc/03/73/57/847037357.db2.gz GALZHCCCWLEJLI-UHFFFAOYSA-N 1 0 387.281 3.591 20 30 GHEDRO CC1(C#N)CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000272547091 847106639 /nfs/dbraw/zinc/10/66/39/847106639.db2.gz DNNBUZFYNYBLEJ-QGZVFWFLSA-N 1 0 392.906 3.951 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000272963930 847216729 /nfs/dbraw/zinc/21/67/29/847216729.db2.gz OABMXXHJQFOSKO-WRHNGFHOSA-N 1 0 397.544 3.638 20 30 GHEDRO Cc1cc(Cl)ccc1CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000511125844 847234598 /nfs/dbraw/zinc/23/45/98/847234598.db2.gz NIRXILDFNNUAHQ-UHFFFAOYSA-N 1 0 396.922 3.667 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000501979542 847361858 /nfs/dbraw/zinc/36/18/58/847361858.db2.gz RZQIHWXQIXYIBG-RDTXWAMCSA-N 1 0 390.409 3.718 20 30 GHEDRO Cc1nc(C(C)(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000061432956 861788108 /nfs/dbraw/zinc/78/81/08/861788108.db2.gz KBRKHSUFDQTEHW-UHFFFAOYSA-N 1 0 384.549 3.825 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C#N)s3)cc2)C1 ZINC000420775663 847422882 /nfs/dbraw/zinc/42/28/82/847422882.db2.gz DZRDKRFAIUPWMY-INIZCTEOSA-N 1 0 382.533 3.851 20 30 GHEDRO CCc1cccc(OCC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000502192021 847582489 /nfs/dbraw/zinc/58/24/89/847582489.db2.gz CACBXROBYYYCOJ-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO CC[C@@H]1C[C@H](C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC(=O)N1 ZINC000329621973 861807228 /nfs/dbraw/zinc/80/72/28/861807228.db2.gz UNHKKMIKAWWJHJ-DLBZAZTESA-N 1 0 379.545 3.902 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)cc1 ZINC000414489264 847620120 /nfs/dbraw/zinc/62/01/20/847620120.db2.gz YATMSPZNTJOVKQ-UHFFFAOYSA-N 1 0 379.909 3.988 20 30 GHEDRO CCN(C(=O)Nc1cc(C#N)ccc1OC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009534 861814675 /nfs/dbraw/zinc/81/46/75/861814675.db2.gz KEOISXWBMAMDJS-IBGZPJMESA-N 1 0 378.476 3.695 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c3ccccc3[nH]c2C(=O)OC)c1 ZINC000894272762 847661152 /nfs/dbraw/zinc/66/11/52/847661152.db2.gz FUNROPYJLCJSTJ-INIZCTEOSA-N 1 0 377.444 3.925 20 30 GHEDRO CCC1(CO)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000128004198 847843071 /nfs/dbraw/zinc/84/30/71/847843071.db2.gz WELROXTWZBTZDV-OAHLLOKOSA-N 1 0 389.565 3.558 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)cc1 ZINC000502401345 847866047 /nfs/dbraw/zinc/86/60/47/847866047.db2.gz JPILRAOCQKRASC-OAQYLSRUSA-N 1 0 390.487 3.787 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1C ZINC000582635422 847873574 /nfs/dbraw/zinc/87/35/74/847873574.db2.gz PWFDAECOZWTCPV-OAQYLSRUSA-N 1 0 399.560 3.961 20 30 GHEDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1)c1ccccc1 ZINC000421326713 847947966 /nfs/dbraw/zinc/94/79/66/847947966.db2.gz ORXDRAULXCTICY-OAQYLSRUSA-N 1 0 379.479 3.972 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502522647 847964937 /nfs/dbraw/zinc/96/49/37/847964937.db2.gz UNHMQPCSWFTHDH-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329631014 861851060 /nfs/dbraw/zinc/85/10/60/861851060.db2.gz RFXGNRUEWWXYFC-MLDBQTBOSA-N 1 0 399.579 3.828 20 30 GHEDRO N#CCCC[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000599919093 861879511 /nfs/dbraw/zinc/87/95/11/861879511.db2.gz GGZDIRGLEQWYDH-BBWFWOEESA-N 1 0 382.430 3.590 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)c1 ZINC000511193978 848254085 /nfs/dbraw/zinc/25/40/85/848254085.db2.gz VYYVTLFOFUBSCZ-SFHVURJKSA-N 1 0 383.511 3.844 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000604145229 861890017 /nfs/dbraw/zinc/89/00/17/861890017.db2.gz JGHOPDNIQQRHDB-GHTZIAJQSA-N 1 0 397.544 3.976 20 30 GHEDRO Cc1cnccc1OC1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000277928063 848522777 /nfs/dbraw/zinc/52/27/77/848522777.db2.gz HKSCEPVKFHSXDQ-MRXNPFEDSA-N 1 0 380.448 3.756 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000511207460 848559099 /nfs/dbraw/zinc/55/90/99/848559099.db2.gz RMGFIHDJNAJKDA-FQEVSTJZSA-N 1 0 378.476 3.916 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168745547 861953857 /nfs/dbraw/zinc/95/38/57/861953857.db2.gz WLDZBSWKQPGKOQ-IBGZPJMESA-N 1 0 394.906 3.965 20 30 GHEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000458418619 849278270 /nfs/dbraw/zinc/27/82/70/849278270.db2.gz QLGHPOXEHQEYLF-MRXNPFEDSA-N 1 0 382.430 3.519 20 30 GHEDRO CCc1cc(N2CCC[C@@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2)ncn1 ZINC000481680506 862000800 /nfs/dbraw/zinc/00/08/00/862000800.db2.gz ZFKSXHPVRRJAAE-IRLDBZIGSA-N 1 0 375.520 3.937 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)ccc1C#N ZINC000572962042 849741580 /nfs/dbraw/zinc/74/15/80/849741580.db2.gz GKFGCKXTWLOTMZ-SFHVURJKSA-N 1 0 395.478 3.624 20 30 GHEDRO COc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1OCCCC#N ZINC000282462076 862054547 /nfs/dbraw/zinc/05/45/47/862054547.db2.gz UAHLWBLFHUDJGN-HSZRJFAPSA-N 1 0 380.488 3.691 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000604276911 862058313 /nfs/dbraw/zinc/05/83/13/862058313.db2.gz YJQZHIYFHSTYDX-CHWSQXEVSA-N 1 0 393.331 3.950 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000504040044 849852069 /nfs/dbraw/zinc/85/20/69/849852069.db2.gz SOPPWGWUQRHZMH-OAQYLSRUSA-N 1 0 391.515 3.525 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(=O)OC)cc1)C(=S)NC(C)(C)C ZINC000278258289 849919989 /nfs/dbraw/zinc/91/99/89/849919989.db2.gz NCLPEDZROOCCQO-UHFFFAOYSA-O 1 0 399.536 3.650 20 30 GHEDRO C[NH+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CC[C@@]2(CCOC2)C1 ZINC000261995373 850076542 /nfs/dbraw/zinc/07/65/42/850076542.db2.gz SGEWINVYLNVCMM-OAQYLSRUSA-N 1 0 396.516 3.744 20 30 GHEDRO COCCC[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000506619996 850120264 /nfs/dbraw/zinc/12/02/64/850120264.db2.gz SNTUMJOTTZISGH-ICSRJNTNSA-N 1 0 385.895 3.538 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426435815 850147046 /nfs/dbraw/zinc/14/70/46/850147046.db2.gz NCSJFTYQOBAEJP-MRXNPFEDSA-N 1 0 386.845 3.814 20 30 GHEDRO COc1ccc(C2(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)CCOCC2)cc1 ZINC000261997261 850163076 /nfs/dbraw/zinc/16/30/76/850163076.db2.gz ODJIRALZDIWYNY-UHFFFAOYSA-N 1 0 379.504 3.659 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N(CCOC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000518802315 850170105 /nfs/dbraw/zinc/17/01/05/850170105.db2.gz YGDLHHDJCXEEIC-JOCHJYFZSA-N 1 0 379.504 3.616 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)[C@H]1c1cccs1 ZINC000514714048 850204185 /nfs/dbraw/zinc/20/41/85/850204185.db2.gz UIVKGQGSVLOLEH-PXAZEXFGSA-N 1 0 389.912 3.873 20 30 GHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000908640537 850234835 /nfs/dbraw/zinc/23/48/35/850234835.db2.gz MKYVDEMBQIMBGN-UHFFFAOYSA-N 1 0 399.514 3.637 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908693021 850272957 /nfs/dbraw/zinc/27/29/57/850272957.db2.gz GNNLVHULDOQROL-OALUTQOASA-N 1 0 387.572 3.939 20 30 GHEDRO Cc1csc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1C#N ZINC000514796193 850321853 /nfs/dbraw/zinc/32/18/53/850321853.db2.gz NGYHAQQEXPUIDU-UHFFFAOYSA-N 1 0 386.443 3.855 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H]1C ZINC000443897918 862117106 /nfs/dbraw/zinc/11/71/06/862117106.db2.gz GQMILFNLUJDQOH-GCJKJVERSA-N 1 0 376.504 3.818 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000518922037 850333890 /nfs/dbraw/zinc/33/38/90/850333890.db2.gz RHDDHUGSZOHIMN-WMLDXEAASA-N 1 0 384.446 3.889 20 30 GHEDRO C=CCn1cc(CN[C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)nn1 ZINC000424294360 850338670 /nfs/dbraw/zinc/33/86/70/850338670.db2.gz KSSHCNGPCSLGGL-QFIPXVFZSA-N 1 0 385.531 3.946 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C[NH+]1CCCCC1 ZINC000518914679 850344338 /nfs/dbraw/zinc/34/43/38/850344338.db2.gz BUWICRHSCUEGCZ-KRWDZBQOSA-N 1 0 378.476 3.597 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccccc1C#N)c1ccccc1Cl ZINC000027578819 850427198 /nfs/dbraw/zinc/42/71/98/850427198.db2.gz MDQDOYYUNNREGJ-LJQANCHMSA-N 1 0 385.895 3.790 20 30 GHEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732207018 862128945 /nfs/dbraw/zinc/12/89/45/862128945.db2.gz KPUGDNFSERVJTG-FQEVSTJZSA-N 1 0 383.879 3.718 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180428830 862135308 /nfs/dbraw/zinc/13/53/08/862135308.db2.gz FLHWWMWQCBSGQY-CQSZACIVSA-N 1 0 386.839 3.846 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000505050389 850572233 /nfs/dbraw/zinc/57/22/33/850572233.db2.gz CEJMAUUSKLZGLL-OAQYLSRUSA-N 1 0 379.504 3.694 20 30 GHEDRO CC[C@@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)OCCc2ccccc21 ZINC000515021300 850583262 /nfs/dbraw/zinc/58/32/62/850583262.db2.gz VUNXYPLMUMIRLS-VWLOTQADSA-N 1 0 389.543 3.990 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(c3cccc(Br)c3C#N)CC2)C[C@H](C)O1 ZINC000439950909 850618005 /nfs/dbraw/zinc/61/80/05/850618005.db2.gz CJECKKHWDSWKLK-GJZGRUSLSA-N 1 0 392.341 3.646 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000515057176 850633518 /nfs/dbraw/zinc/63/35/18/850633518.db2.gz SCHOYDXDFNZVGX-FUHWJXTLSA-N 1 0 381.524 3.539 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505302774 850805531 /nfs/dbraw/zinc/80/55/31/850805531.db2.gz ZBRDZQQSXIKBQM-NRFANRHFSA-N 1 0 377.463 3.510 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000515268048 850844295 /nfs/dbraw/zinc/84/42/95/850844295.db2.gz LDEPBGDAQHPSPT-MRXNPFEDSA-N 1 0 375.398 3.836 20 30 GHEDRO C=CCC[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000435760036 850854543 /nfs/dbraw/zinc/85/45/43/850854543.db2.gz ATYCYQQQIHAEKD-ISKFKSNPSA-N 1 0 393.531 3.630 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(F)c(C#N)c3)cc2)C[C@H](C)O1 ZINC000481746996 862177182 /nfs/dbraw/zinc/17/71/82/862177182.db2.gz WCJVMGZJHRQJSE-IYBDPMFKSA-N 1 0 396.466 3.628 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000604443731 862182320 /nfs/dbraw/zinc/18/23/20/862182320.db2.gz GHMMPSKXJPCIOV-UHFFFAOYSA-N 1 0 377.554 3.658 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000604445607 862185794 /nfs/dbraw/zinc/18/57/94/862185794.db2.gz LOFBMRPAIQEOPI-OALUTQOASA-N 1 0 390.531 3.764 20 30 GHEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513892079 850983600 /nfs/dbraw/zinc/98/36/00/850983600.db2.gz RQZWNEZYPBIYTA-LJQANCHMSA-N 1 0 379.460 3.745 20 30 GHEDRO N#Cc1ncc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1Cl ZINC000515427194 851010246 /nfs/dbraw/zinc/01/02/46/851010246.db2.gz PLCXLSAWCMSSDM-SJORKVTESA-N 1 0 395.894 3.592 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c(C)c2)CC1 ZINC000519526468 851331484 /nfs/dbraw/zinc/33/14/84/851331484.db2.gz HKLSYQSOSWACCZ-FCHUYYIVSA-N 1 0 388.515 3.751 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(OCc2ccccc2)c1 ZINC000434633477 851368390 /nfs/dbraw/zinc/36/83/90/851368390.db2.gz IFYVLYWYQQJHGW-MSOLQXFVSA-N 1 0 377.488 3.867 20 30 GHEDRO Cc1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000505779518 851369123 /nfs/dbraw/zinc/36/91/23/851369123.db2.gz XPMBELRPMAYXFX-HDICACEKSA-N 1 0 393.535 3.540 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520727 862242383 /nfs/dbraw/zinc/24/23/83/862242383.db2.gz IHZVCTKVVSHQAA-REWPJTCUSA-N 1 0 377.488 3.987 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3cccc(C#N)c3)cc2)C1 ZINC000515759250 851441706 /nfs/dbraw/zinc/44/17/06/851441706.db2.gz DZXRBQHPUQVSBN-ROUUACIJSA-N 1 0 397.544 3.515 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000515839476 851546506 /nfs/dbraw/zinc/54/65/06/851546506.db2.gz TYYDGOUDKHJDOT-DNVCBOLYSA-N 1 0 385.895 3.614 20 30 GHEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000488497794 851549863 /nfs/dbraw/zinc/54/98/63/851549863.db2.gz VLXVBSURICUWPV-GOSISDBHSA-N 1 0 395.503 3.861 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC(c4cccc(Cl)c4)C3)C2=O)cc1 ZINC000488481936 851553183 /nfs/dbraw/zinc/55/31/83/851553183.db2.gz HCOSTZYOPSYJQU-DQVLVPHSSA-N 1 0 379.891 3.848 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000604494806 862256163 /nfs/dbraw/zinc/25/61/63/862256163.db2.gz BZQSPLLUWKLRMB-UHFFFAOYSA-N 1 0 380.448 3.872 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000488519694 851592294 /nfs/dbraw/zinc/59/22/94/851592294.db2.gz AQRLNTNYNMBZAZ-GHTZIAJQSA-N 1 0 394.515 3.900 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C[C@@H]1C(F)(F)F ZINC000894543361 851671869 /nfs/dbraw/zinc/67/18/69/851671869.db2.gz YZSZBGNHEZDLOA-XHSDSOJGSA-N 1 0 384.398 3.567 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000440465206 851890741 /nfs/dbraw/zinc/89/07/41/851890741.db2.gz NPPPPRUFKAJAFR-QFIPXVFZSA-N 1 0 382.529 3.717 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1-c1nnnn1C1CC1 ZINC000329757771 862296254 /nfs/dbraw/zinc/29/62/54/862296254.db2.gz NDMUOYXARBWAJN-IBGZPJMESA-N 1 0 380.496 3.978 20 30 GHEDRO C=CCn1cccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000489056532 851957027 /nfs/dbraw/zinc/95/70/27/851957027.db2.gz YNBLXQMIJKRIJD-UHFFFAOYSA-N 1 0 379.426 3.897 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000111874966 851965404 /nfs/dbraw/zinc/96/54/04/851965404.db2.gz MHOXBRSYQSRXND-LJQANCHMSA-N 1 0 376.504 3.776 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000515975371 852031554 /nfs/dbraw/zinc/03/15/54/852031554.db2.gz PMSHODPRISNLSG-NQIIRXRSSA-N 1 0 381.476 3.508 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)N2CCN(c3ccccc3)CC2)cc1OC ZINC000517535292 852084885 /nfs/dbraw/zinc/08/48/85/852084885.db2.gz BBJSHZGNTQCMKC-HXUWFJFHSA-N 1 0 395.547 3.560 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438180174 852095978 /nfs/dbraw/zinc/09/59/78/852095978.db2.gz YYZADRJJOSAUDR-KRWDZBQOSA-N 1 0 384.417 3.690 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000517559978 852097783 /nfs/dbraw/zinc/09/77/83/852097783.db2.gz VEGSOYGLXCISGM-KRWDZBQOSA-N 1 0 383.879 3.918 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505855089 852140338 /nfs/dbraw/zinc/14/03/38/852140338.db2.gz BDGSXCPGAFSSHT-GLCVTWPJSA-N 1 0 383.536 3.707 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]CCCCCOc3ccccc3)C2=O)cc1 ZINC000437790331 852185718 /nfs/dbraw/zinc/18/57/18/852185718.db2.gz ZDYKFQHADHXJEX-JOCHJYFZSA-N 1 0 377.488 3.893 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505868654 852227205 /nfs/dbraw/zinc/22/72/05/852227205.db2.gz IKDVQVJQOBEZBB-RTBURBONSA-N 1 0 395.478 3.862 20 30 GHEDRO CC[N@H+](CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)CCC(F)(F)F ZINC000425987379 852282876 /nfs/dbraw/zinc/28/28/76/852282876.db2.gz AHVBBRXSCDAKHK-ROUUACIJSA-N 1 0 396.457 3.742 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000517706707 852297842 /nfs/dbraw/zinc/29/78/42/852297842.db2.gz GCAJHXBFNKHHJE-FXAWDEMLSA-N 1 0 385.533 3.602 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000506219442 852354758 /nfs/dbraw/zinc/35/47/58/852354758.db2.gz RFOHSDGAKKAQBK-UHFFFAOYSA-N 1 0 391.490 3.818 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21)C(C)C ZINC000625558791 862354849 /nfs/dbraw/zinc/35/48/49/862354849.db2.gz XWOVVLMXWHFDNC-HZPDHXFCSA-N 1 0 398.473 3.594 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000516327021 852423830 /nfs/dbraw/zinc/42/38/30/852423830.db2.gz LNNDVBBBYDXLIG-UHFFFAOYSA-N 1 0 396.531 3.979 20 30 GHEDRO CCS[C@@H]1CCCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000732569274 862362948 /nfs/dbraw/zinc/36/29/48/862362948.db2.gz HWUPYXGDWSLTCW-SJORKVTESA-N 1 0 380.517 3.831 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000516417226 852513999 /nfs/dbraw/zinc/51/39/99/852513999.db2.gz QVXNERBDSUGMHD-HDAAZOAOSA-N 1 0 379.529 3.923 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329845313 862367188 /nfs/dbraw/zinc/36/71/88/862367188.db2.gz OOKCXUJEOCVTTF-IEBWSBKVSA-N 1 0 387.524 3.601 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)[C@@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC001270152921 852601094 /nfs/dbraw/zinc/60/10/94/852601094.db2.gz BVNWSEROVDCEKT-KNQAVFIVSA-N 1 0 391.515 3.815 20 30 GHEDRO O=C(Nc1csc(-c2ccccn2)n1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000329858097 862377275 /nfs/dbraw/zinc/37/72/75/862377275.db2.gz VWNDNOUMRKBYND-PBHICJAKSA-N 1 0 383.521 3.699 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000438638835 852658835 /nfs/dbraw/zinc/65/88/35/852658835.db2.gz ZBFOIJVPRPPBMI-KRWDZBQOSA-N 1 0 388.393 3.973 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437080162 852706771 /nfs/dbraw/zinc/70/67/71/852706771.db2.gz YAXGLXMKPJRJJZ-PBPGXSGUSA-N 1 0 393.487 3.983 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC000669033089 852790029 /nfs/dbraw/zinc/79/00/29/852790029.db2.gz GONCIZWEHKPLNZ-NSHGMRRFSA-N 1 0 381.524 3.506 20 30 GHEDRO C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490213116 852819522 /nfs/dbraw/zinc/81/95/22/852819522.db2.gz QUFSSRIZFANOQD-NQIIRXRSSA-N 1 0 391.515 3.742 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[NH+]2CCCC2)o1 ZINC000506356958 852848835 /nfs/dbraw/zinc/84/88/35/852848835.db2.gz GWOIWRMNKIXACG-DENIHFKCSA-N 1 0 395.503 3.816 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426150902 852855154 /nfs/dbraw/zinc/85/51/54/852855154.db2.gz UEMJEGWZSKPMKK-UHFFFAOYSA-N 1 0 378.904 3.566 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC)CC1 ZINC000506363320 852871185 /nfs/dbraw/zinc/87/11/85/852871185.db2.gz NPIRUNGNVDASPC-UHFFFAOYSA-N 1 0 377.510 3.867 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427249340 852901171 /nfs/dbraw/zinc/90/11/71/852901171.db2.gz JZGMQDBHECWLCQ-UHFFFAOYSA-N 1 0 391.494 3.516 20 30 GHEDRO C=CCC[C@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccccc1 ZINC000490293250 852907459 /nfs/dbraw/zinc/90/74/59/852907459.db2.gz XNJQRNZMNCMPOV-QFIPXVFZSA-N 1 0 392.547 3.590 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)([NH+](C)C)C1 ZINC000429596014 852915038 /nfs/dbraw/zinc/91/50/38/852915038.db2.gz VZTJZWDQVRQOBV-JPYJTQIMSA-N 1 0 393.535 3.704 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000507490585 852972289 /nfs/dbraw/zinc/97/22/89/852972289.db2.gz IRMSVLJWHFUZRW-JKSUJKDBSA-N 1 0 383.517 3.975 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)s3)c(OCC)c2)CC1 ZINC000507611659 853107556 /nfs/dbraw/zinc/10/75/56/853107556.db2.gz RTGAXEZXPAKSEG-UHFFFAOYSA-N 1 0 398.532 3.803 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000437540961 853244371 /nfs/dbraw/zinc/24/43/71/853244371.db2.gz WHQUCJSAGYEKOR-KRWDZBQOSA-N 1 0 383.521 3.554 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)NCCSCc2ccccc2C#N)([NH+](C)C)C1 ZINC000518366638 853253758 /nfs/dbraw/zinc/25/37/58/853253758.db2.gz ZGOZGWGQYBCHRN-UTKZUKDTSA-N 1 0 388.581 3.601 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473883977 853326526 /nfs/dbraw/zinc/32/65/26/853326526.db2.gz HQQCKVBOELDYOM-PGRDOPGGSA-N 1 0 376.504 3.925 20 30 GHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCC#N)c2ccc(F)c(F)c2)c1 ZINC000491005284 853385643 /nfs/dbraw/zinc/38/56/43/853385643.db2.gz KMVRYHVQCXCHRJ-LJQANCHMSA-N 1 0 378.444 3.741 20 30 GHEDRO CSc1cccc(N(C(=O)COc2cccc(C#N)c2)C2CC[NH+](C)CC2)c1 ZINC000732739493 862458844 /nfs/dbraw/zinc/45/88/44/862458844.db2.gz CGKXLMRBHHTGCI-UHFFFAOYSA-N 1 0 395.528 3.786 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151445230 853437462 /nfs/dbraw/zinc/43/74/62/853437462.db2.gz LTLBCFQJJKVYCU-FUHWJXTLSA-N 1 0 396.350 3.605 20 30 GHEDRO CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491148751 853471848 /nfs/dbraw/zinc/47/18/48/853471848.db2.gz RLTTULVDWBAUEN-HSZRJFAPSA-N 1 0 385.515 3.665 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000437759888 853499423 /nfs/dbraw/zinc/49/94/23/853499423.db2.gz PTWVETCTNCMZNA-VXKWHMMOSA-N 1 0 392.503 3.931 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000519847738 853541273 /nfs/dbraw/zinc/54/12/73/853541273.db2.gz DZKGCRYCYBXVBH-QHCPKHFHSA-N 1 0 375.516 3.640 20 30 GHEDRO N#Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C(F)(F)F ZINC000519851613 853546263 /nfs/dbraw/zinc/54/62/63/853546263.db2.gz QJRAZSDAXXHGIN-IAGOWNOFSA-N 1 0 386.421 3.930 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1-n1ccnn1 ZINC000586793739 853552141 /nfs/dbraw/zinc/55/21/41/853552141.db2.gz BLMAIVHZJJLSLL-IPJUCJBFSA-N 1 0 388.475 3.575 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000586796788 853554019 /nfs/dbraw/zinc/55/40/19/853554019.db2.gz QBMZMMRSCBIKDL-IGCXYCKISA-N 1 0 383.521 3.602 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000517307166 853622644 /nfs/dbraw/zinc/62/26/44/853622644.db2.gz RTFJYVZTXBEZDT-GMAHTHKFSA-N 1 0 391.515 3.915 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)CC1 ZINC000440784967 853622796 /nfs/dbraw/zinc/62/27/96/853622796.db2.gz VQVLPQVBSLQLNG-QFIPXVFZSA-N 1 0 395.551 3.581 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c1C#N ZINC000425928135 853643230 /nfs/dbraw/zinc/64/32/30/853643230.db2.gz LCVRNWJXGAEAEA-OYHNWAKOSA-N 1 0 386.540 3.513 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103462 853645690 /nfs/dbraw/zinc/64/56/90/853645690.db2.gz KVWNWVOEQGFDJI-GOSISDBHSA-N 1 0 377.488 3.907 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccccc1CC ZINC000044558145 853657273 /nfs/dbraw/zinc/65/72/73/853657273.db2.gz VWVIQYKVAHBUAJ-UHFFFAOYSA-O 1 0 399.536 3.636 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C#N ZINC000571023974 853690231 /nfs/dbraw/zinc/69/02/31/853690231.db2.gz FJMGZQRMAPIUGK-SWLSCSKDSA-N 1 0 375.523 3.589 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000437936557 853702907 /nfs/dbraw/zinc/70/29/07/853702907.db2.gz ULEDHWFQCDHRFK-SZMVWBNQSA-N 1 0 399.457 3.589 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)[C@@H]2CC ZINC001167988879 853745498 /nfs/dbraw/zinc/74/54/98/853745498.db2.gz ONVKWQWBNVWJHS-CXUBVSOCSA-N 1 0 385.596 3.813 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000164196877 853791644 /nfs/dbraw/zinc/79/16/44/853791644.db2.gz DSKKMGRFTLEAJE-QGZVFWFLSA-N 1 0 376.497 3.618 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCC2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000440985524 853801034 /nfs/dbraw/zinc/80/10/34/853801034.db2.gz MHRUEGICFHHWMI-HKEJHHQYSA-N 1 0 382.552 3.916 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2(C#N)CCCCC2)[C@H]1c1cccs1 ZINC000330018169 862510347 /nfs/dbraw/zinc/51/03/47/862510347.db2.gz SIBCKUZDWBFEEI-WMZOPIPTSA-N 1 0 395.594 3.524 20 30 GHEDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156599234 853890295 /nfs/dbraw/zinc/89/02/95/853890295.db2.gz ASMDVZGADMKJED-GOSISDBHSA-N 1 0 375.266 3.582 20 30 GHEDRO COc1cccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccc(C)cc2)c1 ZINC000186954572 862511322 /nfs/dbraw/zinc/51/13/22/862511322.db2.gz YRJODYNJQLDBKG-UHFFFAOYSA-O 1 0 396.492 3.947 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000481914859 862512170 /nfs/dbraw/zinc/51/21/70/862512170.db2.gz UTMBQPNDWJYCOL-DNQXCXABSA-N 1 0 375.516 3.989 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000520220285 853971939 /nfs/dbraw/zinc/97/19/39/853971939.db2.gz XLPLBLCBQQMKCJ-SFHVURJKSA-N 1 0 396.434 3.658 20 30 GHEDRO COC1CC[NH+](C2(CNc3nc4cc(Cl)ccn4c3C#N)CCCC2)CC1 ZINC000587973483 854054446 /nfs/dbraw/zinc/05/44/46/854054446.db2.gz RDGYWURFZKNCDY-UHFFFAOYSA-N 1 0 387.915 3.695 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000481911068 862526623 /nfs/dbraw/zinc/52/66/23/862526623.db2.gz CSLZGPWKRKITLY-ZEQRLZLVSA-N 1 0 375.516 3.989 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164651527 854142041 /nfs/dbraw/zinc/14/20/41/854142041.db2.gz REHRULUTAXKONH-WOJBJXKFSA-N 1 0 397.592 3.949 20 30 GHEDRO C[N@H+](CCCOc1cccc(Cl)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000550327957 854206109 /nfs/dbraw/zinc/20/61/09/854206109.db2.gz PVVRZIBDGZQWJU-FQEVSTJZSA-N 1 0 383.879 3.718 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1C#N)[n+]1cccc(C)c1 ZINC000186963649 862542888 /nfs/dbraw/zinc/54/28/88/862542888.db2.gz IUEHZLDYFZCHFW-UHFFFAOYSA-O 1 0 391.476 3.810 20 30 GHEDRO C=CCn1c(C)nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1=S ZINC000164788483 854292851 /nfs/dbraw/zinc/29/28/51/854292851.db2.gz ICEXDBRVMZJXGE-RTWAWAEBSA-N 1 0 397.592 3.853 20 30 GHEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(C)c1OC ZINC000572039105 854340114 /nfs/dbraw/zinc/34/01/14/854340114.db2.gz XHFMOXGDYJPXJY-UHFFFAOYSA-N 1 0 381.476 3.759 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1C[C@]12CCOc1ccccc12)C1([NH+]2CCOCC2)CCCC1 ZINC000330079322 862558999 /nfs/dbraw/zinc/55/89/99/862558999.db2.gz FXTWULNLFGNXAJ-JLMWRMLUSA-N 1 0 384.520 3.717 20 30 GHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)NCc3ccc(C#N)c(F)c3)n2)C1 ZINC000572111295 854395825 /nfs/dbraw/zinc/39/58/25/854395825.db2.gz BUIITHHTGWZXPX-CYBMUJFWSA-N 1 0 387.484 3.707 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@]2(CCOC2)O1 ZINC000330083712 862561731 /nfs/dbraw/zinc/56/17/31/862561731.db2.gz BOGYIKVUFARXCN-AEFFLSMTSA-N 1 0 397.313 3.697 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)c1ccco1 ZINC000588766154 854428842 /nfs/dbraw/zinc/42/88/42/854428842.db2.gz GYSNMDYAJHNEAR-CDXJDZJCSA-N 1 0 383.492 3.800 20 30 GHEDRO CS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000328607043 854481720 /nfs/dbraw/zinc/48/17/20/854481720.db2.gz KWIABGWLMPJEIZ-HIFRSBDPSA-N 1 0 393.509 3.566 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000609520453 854493884 /nfs/dbraw/zinc/49/38/84/854493884.db2.gz MPOCLBOUSVUTGO-SBHAEUEKSA-N 1 0 383.536 3.971 20 30 GHEDRO Cc1cn2c(n1)[C@H](CNC([O-])=[NH+]CCc1ccc(Br)s1)CCC2 ZINC000328662414 854494276 /nfs/dbraw/zinc/49/42/76/854494276.db2.gz XIWCVQCSSISBLH-LBPRGKRZSA-N 1 0 397.342 3.639 20 30 GHEDRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)C12CCC[NH+]1CCC2 ZINC000328747052 854525858 /nfs/dbraw/zinc/52/58/58/854525858.db2.gz AVNRKFQASIDMLA-UHFFFAOYSA-N 1 0 377.794 3.718 20 30 GHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@]2(CCCOC2)O1 ZINC000330101492 862575121 /nfs/dbraw/zinc/57/51/21/862575121.db2.gz FNEKKDLXSGONKF-KSSFIOAISA-N 1 0 386.414 3.953 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CCCC12CCOCC2 ZINC000328826561 854552910 /nfs/dbraw/zinc/55/29/10/854552910.db2.gz QFQHCRQCZAYEND-PKOBYXMFSA-N 1 0 391.581 3.813 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CCCC12CCOCC2 ZINC000328826559 854552940 /nfs/dbraw/zinc/55/29/40/854552940.db2.gz QFQHCRQCZAYEND-HKUYNNGSSA-N 1 0 391.581 3.813 20 30 GHEDRO Cc1cc(C)n(-c2ccccc2CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000328781805 854554181 /nfs/dbraw/zinc/55/41/81/854554181.db2.gz FXBOPBJPFMXAQD-NRFANRHFSA-N 1 0 395.551 3.567 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000588890112 854578920 /nfs/dbraw/zinc/57/89/20/854578920.db2.gz DIGLXVVVHFSWAN-SFHVURJKSA-N 1 0 399.560 3.887 20 30 GHEDRO CCOc1cc2c(cc1NC(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000328867776 854587344 /nfs/dbraw/zinc/58/73/44/854587344.db2.gz OLMRLAZMOFNDNX-RDJZCZTQSA-N 1 0 387.524 3.618 20 30 GHEDRO Cc1sc2ncnc(SCC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2c1C ZINC000328907237 854617588 /nfs/dbraw/zinc/61/75/88/854617588.db2.gz BYRHIIPAGVSXQU-ZIAGYGMSSA-N 1 0 376.551 3.984 20 30 GHEDRO C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000328911956 854619674 /nfs/dbraw/zinc/61/96/74/854619674.db2.gz GVYLEGRPLZDUMF-ZRNYENFQSA-N 1 0 378.472 3.616 20 30 GHEDRO Cc1cccc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1Cl ZINC000330449600 854679107 /nfs/dbraw/zinc/67/91/07/854679107.db2.gz IBOBWURLEVNLLC-UHFFFAOYSA-N 1 0 379.932 3.580 20 30 GHEDRO CC(C)S(=O)(=O)Cc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000330749341 854746083 /nfs/dbraw/zinc/74/60/83/854746083.db2.gz YFUYZQLVTGJFKC-UHFFFAOYSA-N 1 0 395.569 3.599 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)CC2 ZINC000589343378 854799805 /nfs/dbraw/zinc/79/98/05/854799805.db2.gz VKDOGQVSNLZJMR-UZLBHIALSA-N 1 0 385.305 3.749 20 30 GHEDRO N#Cc1csc(C[NH2+]C[C@@H](c2ccccc2)N2CCc3sccc3C2)n1 ZINC000589308772 854801519 /nfs/dbraw/zinc/80/15/19/854801519.db2.gz WDGOCBBITJIVMF-SFHVURJKSA-N 1 0 380.542 3.965 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000589367112 854810776 /nfs/dbraw/zinc/81/07/76/854810776.db2.gz UMIKRCAZTREIJL-KRWDZBQOSA-N 1 0 379.464 3.740 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000589364576 854830093 /nfs/dbraw/zinc/83/00/93/854830093.db2.gz FZFPETAETDDXFH-UHFFFAOYSA-N 1 0 381.480 3.941 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000188570768 854878092 /nfs/dbraw/zinc/87/80/92/854878092.db2.gz OSUVYPAADHWFCX-UHFFFAOYSA-N 1 0 381.442 3.687 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000330169835 862630525 /nfs/dbraw/zinc/63/05/25/862630525.db2.gz BOURBSCAJPZDSI-OAHLLOKOSA-N 1 0 392.569 3.921 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC[C@H]1CC1CCC1 ZINC000669334938 855027555 /nfs/dbraw/zinc/02/75/55/855027555.db2.gz GWOKCRXRBWNQIB-HBMCJLEFSA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1[C@H](C)CCC ZINC000669334606 855031219 /nfs/dbraw/zinc/03/12/19/855031219.db2.gz CGUBGGOHYFTPRE-ZRNYENFQSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2cc(C)c(C)cc21 ZINC000669335961 855040716 /nfs/dbraw/zinc/04/07/16/855040716.db2.gz SBJJPOIRJAVNPG-CTNGQTDRSA-N 1 0 393.535 3.701 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000589612111 855060593 /nfs/dbraw/zinc/06/05/93/855060593.db2.gz BLYBFQTVVRLUBW-HXUWFJFHSA-N 1 0 389.927 3.512 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000589635854 855083370 /nfs/dbraw/zinc/08/33/70/855083370.db2.gz BZYZHRXINRIZEZ-SFHVURJKSA-N 1 0 386.503 3.547 20 30 GHEDRO Cc1c(Cl)cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)c1C#N ZINC000273289587 855159613 /nfs/dbraw/zinc/15/96/13/855159613.db2.gz FLFJCRAQGNXDFW-LBPRGKRZSA-N 1 0 376.917 3.706 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000106038199 855171063 /nfs/dbraw/zinc/17/10/63/855171063.db2.gz HWHVALLLBUDEAX-UHFFFAOYSA-N 1 0 399.560 3.730 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000129453280 855180919 /nfs/dbraw/zinc/18/09/19/855180919.db2.gz NDEIVAOHOIVHOO-QGZVFWFLSA-N 1 0 375.394 3.756 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)CC2)nc1 ZINC000589945475 855216321 /nfs/dbraw/zinc/21/63/21/855216321.db2.gz GVZDJYYIWNKJKF-VGSWGCGISA-N 1 0 394.494 3.819 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(CCCO)CC3)sc2C1 ZINC000543916645 855220547 /nfs/dbraw/zinc/22/05/47/855220547.db2.gz BZQSXLAHPGYOFM-HNNXBMFYSA-N 1 0 389.565 3.558 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(CC)ccc(Cl)c2CC)CC1 ZINC000106349312 855221432 /nfs/dbraw/zinc/22/14/32/855221432.db2.gz SJHIPTXNZJFSKZ-UHFFFAOYSA-N 1 0 391.943 3.560 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1=O ZINC000473987501 855272544 /nfs/dbraw/zinc/27/25/44/855272544.db2.gz NZYJAIJRQHGZIO-RTBURBONSA-N 1 0 399.535 3.590 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(C)C ZINC000498375549 855287547 /nfs/dbraw/zinc/28/75/47/855287547.db2.gz PYEQCACMBUBIQJ-GOSISDBHSA-N 1 0 385.552 3.907 20 30 GHEDRO CS[C@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1[NH+]1CCCC1 ZINC000499401357 855335176 /nfs/dbraw/zinc/33/51/76/855335176.db2.gz VGMIDBOAHQBNDI-WMZOPIPTSA-N 1 0 385.558 3.733 20 30 GHEDRO O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000330214953 862668138 /nfs/dbraw/zinc/66/81/38/862668138.db2.gz GOKSDQROADLKSO-APWZRJJASA-N 1 0 399.539 3.521 20 30 GHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055668926 855372936 /nfs/dbraw/zinc/37/29/36/855372936.db2.gz PWSUYKGPRIYTSB-UHFFFAOYSA-N 1 0 377.513 3.877 20 30 GHEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 ZINC000590442306 855422735 /nfs/dbraw/zinc/42/27/35/855422735.db2.gz FGCIGFOHFIDDFF-WMZOPIPTSA-N 1 0 381.863 3.780 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1O2 ZINC000542690966 855456267 /nfs/dbraw/zinc/45/62/67/855456267.db2.gz MZGHOJVDMXRZTC-IBGZPJMESA-N 1 0 395.890 3.930 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000107540986 855472121 /nfs/dbraw/zinc/47/21/21/855472121.db2.gz FWLOLBFKHMKHBF-RBUKOAKNSA-N 1 0 391.515 3.874 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[N@@H+](C)CC23CCCCC3)c1C ZINC000081598867 855502151 /nfs/dbraw/zinc/50/21/51/855502151.db2.gz ICCHDDDFUOVGRC-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466603055 862688781 /nfs/dbraw/zinc/68/87/81/862688781.db2.gz WSJSXMCIVLVXDG-IEBWSBKVSA-N 1 0 393.491 3.721 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2nccc(C#N)n2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000590690434 855550233 /nfs/dbraw/zinc/55/02/33/855550233.db2.gz GBZBADSIRSMDJB-PBHICJAKSA-N 1 0 375.398 3.862 20 30 GHEDRO C[N@H+](CCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 ZINC000590803358 855595048 /nfs/dbraw/zinc/59/50/48/855595048.db2.gz CCUMRUYYPYOOHD-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO N#Cc1ncc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000590844849 855609771 /nfs/dbraw/zinc/60/97/71/855609771.db2.gz ZJUPACJEUWYFED-UHFFFAOYSA-N 1 0 389.912 3.702 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000590844843 855609777 /nfs/dbraw/zinc/60/97/77/855609777.db2.gz OSYBZPRJCITCOX-QGZVFWFLSA-N 1 0 398.898 3.520 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000056794153 855666037 /nfs/dbraw/zinc/66/60/37/855666037.db2.gz YEFYQKGUXHDEBL-HXUWFJFHSA-N 1 0 383.492 3.823 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CCC(C#N)CC2)C1 ZINC000573055465 855706673 /nfs/dbraw/zinc/70/66/73/855706673.db2.gz WJOMRHVKTAAMKG-UHFFFAOYSA-N 1 0 392.547 3.854 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ncnc2sc3c(c21)CCC3 ZINC000301623290 855729471 /nfs/dbraw/zinc/72/94/71/855729471.db2.gz GCIDTGJHELYGNY-UHFFFAOYSA-N 1 0 377.517 3.620 20 30 GHEDRO N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1C(F)(F)F ZINC000301633051 855730606 /nfs/dbraw/zinc/73/06/06/855730606.db2.gz JUTVUDHCCMXCRH-UXHICEINSA-N 1 0 387.405 3.667 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000542775286 855742274 /nfs/dbraw/zinc/74/22/74/855742274.db2.gz PEJQUZNWJULBGG-IBGZPJMESA-N 1 0 375.900 3.976 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459114857 855750433 /nfs/dbraw/zinc/75/04/33/855750433.db2.gz IQBMRLXKTWMPQY-UHFFFAOYSA-N 1 0 388.512 3.812 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)cc1 ZINC000237202717 855776973 /nfs/dbraw/zinc/77/69/73/855776973.db2.gz LEBFWMOSQREEDS-UHFFFAOYSA-N 1 0 376.548 3.963 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(NCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000591197138 855808493 /nfs/dbraw/zinc/80/84/93/855808493.db2.gz VKABOAFPFLHUKF-UHFFFAOYSA-N 1 0 378.520 3.690 20 30 GHEDRO N#Cc1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C(F)(F)F ZINC000302052667 855808581 /nfs/dbraw/zinc/80/85/81/855808581.db2.gz OTJLCGFMWWOEQG-GOSISDBHSA-N 1 0 375.394 3.756 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(Nc4cnc(C#N)cn4)cc3)CC2)c1 ZINC000302235249 855843184 /nfs/dbraw/zinc/84/31/84/855843184.db2.gz HZZJFNNXWXLCDR-UHFFFAOYSA-N 1 0 384.487 3.723 20 30 GHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)Nc1ccc(C#N)cc1 ZINC000108374996 855851598 /nfs/dbraw/zinc/85/15/98/855851598.db2.gz GKMQCZHKYBWWPZ-UHFFFAOYSA-N 1 0 391.450 3.591 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N(C)C ZINC000573101197 855865851 /nfs/dbraw/zinc/86/58/51/855865851.db2.gz PRVCLGVRXFOPBR-LEWJYISDSA-N 1 0 377.488 3.753 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000591306354 855902013 /nfs/dbraw/zinc/90/20/13/855902013.db2.gz SGAVAKLACPFTEI-WMZOPIPTSA-N 1 0 394.523 3.633 20 30 GHEDRO N#C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000591317361 855907737 /nfs/dbraw/zinc/90/77/37/855907737.db2.gz GDEDMMXUUBZHIB-LJQANCHMSA-N 1 0 398.304 3.578 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108514465 855920060 /nfs/dbraw/zinc/92/00/60/855920060.db2.gz DWRVTHGXFGYMPP-FQEVSTJZSA-N 1 0 392.503 3.909 20 30 GHEDRO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000542811109 855969465 /nfs/dbraw/zinc/96/94/65/855969465.db2.gz CTMOYYSUTQRVOF-AEFFLSMTSA-N 1 0 380.517 3.740 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001128652110 855997099 /nfs/dbraw/zinc/99/70/99/855997099.db2.gz HNBUDUHKYLYFPA-QFIPXVFZSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1 ZINC000172233344 856163705 /nfs/dbraw/zinc/16/37/05/856163705.db2.gz MTXULTFVJMWBJB-UHFFFAOYSA-N 1 0 387.871 3.694 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)CC1 ZINC000171680332 856228796 /nfs/dbraw/zinc/22/87/96/856228796.db2.gz SQTQJRLXLTUJNK-UHFFFAOYSA-N 1 0 388.512 3.953 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000591763822 856231377 /nfs/dbraw/zinc/23/13/77/856231377.db2.gz KVUIKDOTYJPSDT-YJBOKZPZSA-N 1 0 376.378 3.594 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)CC1 ZINC000171724725 856244286 /nfs/dbraw/zinc/24/42/86/856244286.db2.gz FCURTRUHVJCBSQ-OAQYLSRUSA-N 1 0 399.579 3.505 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3csc(Br)c3)C2=O)cc1 ZINC000485260968 856277424 /nfs/dbraw/zinc/27/74/24/856277424.db2.gz OXFVXIUORYCYFR-HNNXBMFYSA-N 1 0 390.306 3.667 20 30 GHEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000591805369 856287123 /nfs/dbraw/zinc/28/71/23/856287123.db2.gz IAGOOOOXMLUGGN-OAHLLOKOSA-N 1 0 390.409 3.868 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)c(-c2ccccc2)n1 ZINC000172113607 856342333 /nfs/dbraw/zinc/34/23/33/856342333.db2.gz MVDQEAUAAMTIRR-UHFFFAOYSA-N 1 0 396.498 3.998 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3)C2=O)cc1 ZINC000485343239 856387875 /nfs/dbraw/zinc/38/78/75/856387875.db2.gz GDGXWJLSUJNTRB-GOSISDBHSA-N 1 0 384.277 3.606 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CCOCC1 ZINC000905601083 856406590 /nfs/dbraw/zinc/40/65/90/856406590.db2.gz DNZHFAPYOFWLDU-LSWJPFSZSA-N 1 0 392.499 3.912 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000624836885 856448212 /nfs/dbraw/zinc/44/82/12/856448212.db2.gz LXZZWRLTOKQJIQ-ZGXWSNOMSA-N 1 0 387.572 3.795 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536496931 856466256 /nfs/dbraw/zinc/46/62/56/856466256.db2.gz IFGRBHOJJMQNSW-GHTZIAJQSA-N 1 0 399.897 3.823 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(CC#N)cc1 ZINC000573801849 856486687 /nfs/dbraw/zinc/48/66/87/856486687.db2.gz POSSONNYNXGJSX-QGZVFWFLSA-N 1 0 375.472 3.697 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000172586556 856489998 /nfs/dbraw/zinc/48/99/98/856489998.db2.gz JPLWPALNTWJHJW-SFHVURJKSA-N 1 0 379.435 3.621 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000573816636 856502734 /nfs/dbraw/zinc/50/27/34/856502734.db2.gz LNPUNSQLWKWNOQ-UHFFFAOYSA-N 1 0 388.519 3.547 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C#N)cc1F ZINC000172622412 856506072 /nfs/dbraw/zinc/50/60/72/856506072.db2.gz BUICUUFEEWFZSP-QGZVFWFLSA-N 1 0 380.467 3.503 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000573829708 856511846 /nfs/dbraw/zinc/51/18/46/856511846.db2.gz QWCUAVIFIUOBRW-MJGOQNOKSA-N 1 0 382.370 3.506 20 30 GHEDRO C[C@@]1(CNC(=O)Nc2ccc(F)cc2OCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000157596344 856524124 /nfs/dbraw/zinc/52/41/24/856524124.db2.gz QDVLTTNWWREMQW-QFIPXVFZSA-N 1 0 396.466 3.904 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)n2cc(C[N@H+](C)C(C)(C)C)nn2)c1 ZINC000905793394 856590297 /nfs/dbraw/zinc/59/02/97/856590297.db2.gz SOSGYADEMQBGJH-SFHVURJKSA-N 1 0 396.539 3.633 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000542885199 856651731 /nfs/dbraw/zinc/65/17/31/856651731.db2.gz UWDQZUXJLJACBG-JPYJTQIMSA-N 1 0 391.515 4.000 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)CC1 ZINC000592080184 856652974 /nfs/dbraw/zinc/65/29/74/856652974.db2.gz NIJMUUZGBOVLQO-MOPGFXCFSA-N 1 0 397.563 3.710 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000485507150 856680347 /nfs/dbraw/zinc/68/03/47/856680347.db2.gz QRFGYAYAHYLSPL-FQEVSTJZSA-N 1 0 396.556 3.851 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000252098603 856690666 /nfs/dbraw/zinc/69/06/66/856690666.db2.gz FWLOLBFKHMKHBF-OALUTQOASA-N 1 0 391.515 3.874 20 30 GHEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000111055625 856759625 /nfs/dbraw/zinc/75/96/25/856759625.db2.gz SGYDIKRPLAHNAS-RBUKOAKNSA-N 1 0 379.508 3.877 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccccc3)nc2)CC1 ZINC000592336000 856792710 /nfs/dbraw/zinc/79/27/10/856792710.db2.gz VGMKLUJCRNAGKA-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@]1(C#N)CC3CCC1CC3)c1ccccc1O2 ZINC000906106075 856832841 /nfs/dbraw/zinc/83/28/41/856832841.db2.gz GMACSLLHWYDLGF-UKSWZDHBSA-N 1 0 393.531 3.811 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1cc(Br)ccc1F ZINC000063742181 857047933 /nfs/dbraw/zinc/04/79/33/857047933.db2.gz VFQREPMBNMNUTL-UHFFFAOYSA-N 1 0 390.256 3.920 20 30 GHEDRO N#Cc1sc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc1Cl ZINC000888408426 857059376 /nfs/dbraw/zinc/05/93/76/857059376.db2.gz RNBHVCVXONYRJL-UHFFFAOYSA-N 1 0 393.875 3.593 20 30 GHEDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000282194170 857225240 /nfs/dbraw/zinc/22/52/40/857225240.db2.gz CCRPOSBLNVYCJR-CABCVRRESA-N 1 0 375.538 3.717 20 30 GHEDRO CCc1cccc(Cc2cnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s2)c1 ZINC000441874632 857283057 /nfs/dbraw/zinc/28/30/57/857283057.db2.gz QOIGBSCOMVJIRJ-UHFFFAOYSA-N 1 0 399.564 3.996 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000592400465 857322348 /nfs/dbraw/zinc/32/23/48/857322348.db2.gz UETFXDGIVDJJNA-KBXCAEBGSA-N 1 0 389.421 3.833 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000174891891 857402624 /nfs/dbraw/zinc/40/26/24/857402624.db2.gz AYKXUQPSSYLCLR-WOJBJXKFSA-N 1 0 390.531 3.968 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)cc1Cl ZINC000520959526 857424119 /nfs/dbraw/zinc/42/41/19/857424119.db2.gz QGWPLLNOMMFKKF-UHFFFAOYSA-N 1 0 390.833 3.938 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000442027325 857446877 /nfs/dbraw/zinc/44/68/77/857446877.db2.gz INQDPARGASBXRW-OAHLLOKOSA-N 1 0 391.585 3.993 20 30 GHEDRO CC[C@H](Oc1ccccc1F)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000175153245 857451145 /nfs/dbraw/zinc/45/11/45/857451145.db2.gz JZNKVXLPNILKHL-NRFANRHFSA-N 1 0 395.478 3.589 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000593278268 857476739 /nfs/dbraw/zinc/47/67/39/857476739.db2.gz ISPNXFSISLQDLM-LJQANCHMSA-N 1 0 395.528 3.661 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000922006030 857505344 /nfs/dbraw/zinc/50/53/44/857505344.db2.gz BPGLTBXUXKMFQR-UHFFFAOYSA-N 1 0 386.293 3.636 20 30 GHEDRO C=C(CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000672683943 857586146 /nfs/dbraw/zinc/58/61/46/857586146.db2.gz ZGFJTANUBPYOKG-JOCHJYFZSA-N 1 0 379.504 3.845 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(Br)cc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC001128299154 857608676 /nfs/dbraw/zinc/60/86/76/857608676.db2.gz IDFZOJWEKSPGCY-FZKQIMNGSA-N 1 0 386.293 3.742 20 30 GHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCCC1(C#N)CCOCC1 ZINC000281276064 862931051 /nfs/dbraw/zinc/93/10/51/862931051.db2.gz IJHZOOSSHBACAK-UHFFFAOYSA-N 1 0 385.430 3.948 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000521108032 857625235 /nfs/dbraw/zinc/62/52/35/857625235.db2.gz PALWDAJRGPIDGI-SFHVURJKSA-N 1 0 392.503 3.987 20 30 GHEDRO CCC[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593885358 862937366 /nfs/dbraw/zinc/93/73/66/862937366.db2.gz DBHCLTLGSJXVGM-OAQYLSRUSA-N 1 0 376.504 3.618 20 30 GHEDRO CC(C)C[C@H](CNC(=O)COc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000521177886 857706978 /nfs/dbraw/zinc/70/69/78/857706978.db2.gz PCRGJAPUNXECTQ-GHTZIAJQSA-N 1 0 379.504 3.819 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)COc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000521177887 857707331 /nfs/dbraw/zinc/70/73/31/857707331.db2.gz PCRGJAPUNXECTQ-NQIIRXRSSA-N 1 0 379.504 3.819 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000521212671 857738054 /nfs/dbraw/zinc/73/80/54/857738054.db2.gz HTLLRWZUEZBZOB-LAUBAEHRSA-N 1 0 376.460 3.875 20 30 GHEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001168700669 857742330 /nfs/dbraw/zinc/74/23/30/857742330.db2.gz OTPMPHPXLLRMSE-WOJBJXKFSA-N 1 0 379.508 3.637 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000521239011 857781667 /nfs/dbraw/zinc/78/16/67/857781667.db2.gz XPLSAYZMQZHZEN-UHFFFAOYSA-N 1 0 380.330 3.516 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466011831 857788935 /nfs/dbraw/zinc/78/89/35/857788935.db2.gz QRJDPJCZIZSERI-UHFFFAOYSA-N 1 0 377.532 3.526 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCCCO1 ZINC000594042679 857851088 /nfs/dbraw/zinc/85/10/88/857851088.db2.gz NATPATOVKQADIJ-RYRKJORJSA-N 1 0 375.538 3.957 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1Cl ZINC000114193929 857935137 /nfs/dbraw/zinc/93/51/37/857935137.db2.gz LCXWDKQOJRBCCY-FQEVSTJZSA-N 1 0 383.879 3.522 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1Cl ZINC000114192088 857935416 /nfs/dbraw/zinc/93/54/16/857935416.db2.gz VWFKGRTXDHQAFZ-FQEVSTJZSA-N 1 0 383.879 3.522 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000594251721 857999355 /nfs/dbraw/zinc/99/93/55/857999355.db2.gz NZACAPIZYNMRDT-OALUTQOASA-N 1 0 398.551 3.885 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000574507323 858061818 /nfs/dbraw/zinc/06/18/18/858061818.db2.gz SGRQAJBWWOWBJR-QHCPKHFHSA-N 1 0 375.472 3.827 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](Nc3ccc(C#N)c([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000574613070 858114104 /nfs/dbraw/zinc/11/41/04/858114104.db2.gz GFYQDNBVOSUFGD-PZJWPPBQSA-N 1 0 378.432 3.865 20 30 GHEDRO COc1cccc([C@H]2[C@H](Nc3ccc(C#N)c([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000574613067 858114259 /nfs/dbraw/zinc/11/42/59/858114259.db2.gz GFYQDNBVOSUFGD-CTNGQTDRSA-N 1 0 378.432 3.865 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000594388838 858146233 /nfs/dbraw/zinc/14/62/33/858146233.db2.gz BRMIMZBRPDRBAV-UHFFFAOYSA-N 1 0 378.476 3.692 20 30 GHEDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114687271 858167472 /nfs/dbraw/zinc/16/74/72/858167472.db2.gz JEZRUEOYENKRMW-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1sc(CNC(=O)[C@H]([NH3+])CCCCC#N)nc1-c1ccc(Cl)cc1 ZINC000594428558 858174418 /nfs/dbraw/zinc/17/44/18/858174418.db2.gz MWHZZFLVASWZNE-OAHLLOKOSA-N 1 0 376.913 3.799 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000594441660 858178385 /nfs/dbraw/zinc/17/83/85/858178385.db2.gz UKTBECWUTINDND-KRWDZBQOSA-N 1 0 379.439 3.643 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000594457382 858181461 /nfs/dbraw/zinc/18/14/61/858181461.db2.gz ZGTRKUOZPQSVIK-HNNXBMFYSA-N 1 0 387.833 3.918 20 30 GHEDRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426695 858185126 /nfs/dbraw/zinc/18/51/26/858185126.db2.gz FZJHAYLNKZVWDP-INIZCTEOSA-N 1 0 384.293 3.736 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000594506490 858197268 /nfs/dbraw/zinc/19/72/68/858197268.db2.gz UAUPGIKPWUARQQ-UHFFFAOYSA-N 1 0 384.911 3.864 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000521700903 858255452 /nfs/dbraw/zinc/25/54/52/858255452.db2.gz KXPLEROLSCAOSB-FQEVSTJZSA-N 1 0 388.512 3.803 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccccc1 ZINC000249094518 863004065 /nfs/dbraw/zinc/00/40/65/863004065.db2.gz VGRQDQOPMMSXEL-CRAIPNDOSA-N 1 0 386.402 3.727 20 30 GHEDRO C=CCN1CC[C@@H](N(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1=O ZINC000281387046 863004323 /nfs/dbraw/zinc/00/43/23/863004323.db2.gz NXJDJSMKAUBYQK-OAQYLSRUSA-N 1 0 398.551 3.702 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000574782799 858317563 /nfs/dbraw/zinc/31/75/63/858317563.db2.gz GHBBJVWPCSCGDI-WOJBJXKFSA-N 1 0 390.487 3.519 20 30 GHEDRO C=CC[N@@H+](CCCOc1ccccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521809202 858334607 /nfs/dbraw/zinc/33/46/07/858334607.db2.gz XRXDIUMUVDPAAW-IBGZPJMESA-N 1 0 377.492 3.989 20 30 GHEDRO COC[C@@H](C)Oc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000594947465 858342445 /nfs/dbraw/zinc/34/24/45/858342445.db2.gz DQGWIPYEUPZXGU-LJQANCHMSA-N 1 0 393.531 3.726 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000521873613 858397490 /nfs/dbraw/zinc/39/74/90/858397490.db2.gz FLOWSWMSBWCCCH-KRWDZBQOSA-N 1 0 386.569 3.598 20 30 GHEDRO N#Cc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)cc1Br ZINC000455453082 858402282 /nfs/dbraw/zinc/40/22/82/858402282.db2.gz HICDHWNCAIUKQO-UHFFFAOYSA-N 1 0 379.302 3.708 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000595109521 858407345 /nfs/dbraw/zinc/40/73/45/858407345.db2.gz JLXWSHMQEFMILU-GOSISDBHSA-N 1 0 399.541 3.840 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000595229001 858446606 /nfs/dbraw/zinc/44/66/06/858446606.db2.gz HZZWFHYVMNZOGK-UHFFFAOYSA-N 1 0 380.448 3.752 20 30 GHEDRO N#Cc1ccc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000521948004 858464171 /nfs/dbraw/zinc/46/41/71/858464171.db2.gz QQCFMTPHBLOFKD-JOCHJYFZSA-N 1 0 376.460 3.959 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC000574973010 858479349 /nfs/dbraw/zinc/47/93/49/858479349.db2.gz ZEZYLIQJYPUUEZ-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C[NH+]1CCCC1 ZINC000115338367 858497025 /nfs/dbraw/zinc/49/70/25/858497025.db2.gz WFCPNVFQHBRYQD-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000115354375 858505476 /nfs/dbraw/zinc/50/54/76/858505476.db2.gz AOVUKYDUBOOKRS-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO N#Cc1ccc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000595564416 858554305 /nfs/dbraw/zinc/55/43/05/858554305.db2.gz YMUSBBWOWDMILF-MEMLXQNLSA-N 1 0 379.460 3.815 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](CO)Cc1ccccc1 ZINC000595596600 858626824 /nfs/dbraw/zinc/62/68/24/858626824.db2.gz PSLPEJNTOINXPC-MJGOQNOKSA-N 1 0 397.544 3.555 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccc4occc4c3)CC2)c1 ZINC000595653886 858639253 /nfs/dbraw/zinc/63/92/53/858639253.db2.gz RFSPSRCJQGPGFK-UHFFFAOYSA-N 1 0 388.471 3.768 20 30 GHEDRO CC(C)(C)OC(=O)CCC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000595717706 858657520 /nfs/dbraw/zinc/65/75/20/858657520.db2.gz NYJHSPZPGGWFSH-UHFFFAOYSA-N 1 0 399.535 3.767 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cc(=O)[nH]c(-c4ccccc4)n3)CCOCC2)c1 ZINC000595767431 858664253 /nfs/dbraw/zinc/66/42/53/858664253.db2.gz BGXOHJPVDGDWCD-UHFFFAOYSA-N 1 0 386.455 3.516 20 30 GHEDRO CCOc1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)ccc1[N+](=O)[O-] ZINC000595769386 858665043 /nfs/dbraw/zinc/66/50/43/858665043.db2.gz QYSMJLDUEAPYGE-UHFFFAOYSA-N 1 0 381.432 3.661 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593122899 858683368 /nfs/dbraw/zinc/68/33/68/858683368.db2.gz BACLMYCIYYZYDA-FHWLQOOXSA-N 1 0 381.501 3.943 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000595780341 858685151 /nfs/dbraw/zinc/68/51/51/858685151.db2.gz IWAKVOQXNHBOGA-LJQANCHMSA-N 1 0 396.535 3.518 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595827713 858701701 /nfs/dbraw/zinc/70/17/01/858701701.db2.gz GDJQVXLNOCAADT-UHFFFAOYSA-N 1 0 381.501 3.808 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000595880403 858704198 /nfs/dbraw/zinc/70/41/98/858704198.db2.gz YOJBUKQMGWTWPT-HSZRJFAPSA-N 1 0 386.499 3.631 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595911684 858716820 /nfs/dbraw/zinc/71/68/20/858716820.db2.gz VJABVXYVOXWIBK-YHYVQYDKSA-N 1 0 399.560 3.769 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cnccc2C(F)(F)F)c(-c2ccncc2)n1 ZINC000596063202 858768301 /nfs/dbraw/zinc/76/83/01/858768301.db2.gz VPGDPCYSMXZRDT-UHFFFAOYSA-N 1 0 386.381 3.562 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000482710580 858785149 /nfs/dbraw/zinc/78/51/49/858785149.db2.gz YEMVXCPYSNHVLA-UNMCSNQZSA-N 1 0 399.441 3.709 20 30 GHEDRO N#Cc1cnnc(N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000596158035 858807818 /nfs/dbraw/zinc/80/78/18/858807818.db2.gz NOYLFPIFPYNFPD-UHFFFAOYSA-N 1 0 376.291 3.757 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)NC(C)(C)c2cccc(C#N)c2)cc1 ZINC000596257691 858845355 /nfs/dbraw/zinc/84/53/55/858845355.db2.gz NIFDPZCSAOMHBM-UHFFFAOYSA-N 1 0 394.519 3.623 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1Cl ZINC000060090368 858847008 /nfs/dbraw/zinc/84/70/08/858847008.db2.gz NTTUEOJJZKYXEM-GOSISDBHSA-N 1 0 387.867 3.814 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCc1ccc(C#N)cc1 ZINC000596486065 858909761 /nfs/dbraw/zinc/90/97/61/858909761.db2.gz SDCHTPWXFCGKRA-RTBURBONSA-N 1 0 390.531 3.557 20 30 GHEDRO C[C@@]1(C#N)CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000596594709 858957802 /nfs/dbraw/zinc/95/78/02/858957802.db2.gz KOUBACZQVBTNKC-ZDXQCDESSA-N 1 0 388.515 3.600 20 30 GHEDRO C[NH+](C)C1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000543609959 858985552 /nfs/dbraw/zinc/98/55/52/858985552.db2.gz RGKXEGGEASVWFQ-UHFFFAOYSA-N 1 0 384.867 3.568 20 30 GHEDRO CCOC(=O)c1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C#N)c1 ZINC001170331301 881371558 /nfs/dbraw/zinc/37/15/58/881371558.db2.gz QSEUAXREVQWPTR-MZADTFQBSA-N 1 0 390.487 3.737 20 30 GHEDRO N#Cc1cscc1C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923168631 859095895 /nfs/dbraw/zinc/09/58/95/859095895.db2.gz PUBDKCYDLKWSLJ-LJQANCHMSA-N 1 0 395.528 3.563 20 30 GHEDRO N#CCSCCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429350902 859118437 /nfs/dbraw/zinc/11/84/37/859118437.db2.gz DKAVBEXAYZNKTN-GHTZIAJQSA-N 1 0 386.492 3.813 20 30 GHEDRO C=CCCSCC[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000922238355 859145102 /nfs/dbraw/zinc/14/51/02/859145102.db2.gz CLTFNQDZKGHUCL-KRWDZBQOSA-N 1 0 384.586 3.834 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc(OC)c1OC ZINC000522353842 859162423 /nfs/dbraw/zinc/16/24/23/859162423.db2.gz PRCKRQIIYBQWPU-UHFFFAOYSA-N 1 0 386.536 3.769 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CC1(C#N)CCCCC1)CCO2 ZINC000922249248 859207631 /nfs/dbraw/zinc/20/76/31/859207631.db2.gz HLDUDMLNRXCLFZ-SFHVURJKSA-N 1 0 391.556 3.999 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001141777240 859216554 /nfs/dbraw/zinc/21/65/54/859216554.db2.gz APCQBXFVPDDHGI-FDDCHVKYSA-N 1 0 393.531 3.943 20 30 GHEDRO CC[N@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)[C@H](C)c1ccc(C#N)cc1 ZINC000060469282 859324375 /nfs/dbraw/zinc/32/43/75/859324375.db2.gz YBMISWLZNWXRDD-WIYYLYMNSA-N 1 0 376.504 3.969 20 30 GHEDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764285623 859351523 /nfs/dbraw/zinc/35/15/23/859351523.db2.gz XTCGRPVEYSDNHQ-REWPJTCUSA-N 1 0 393.531 3.994 20 30 GHEDRO N#Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(Cl)c([N+](=O)[O-])c1 ZINC000764314973 859376769 /nfs/dbraw/zinc/37/67/69/859376769.db2.gz KNOZUHUJCFYFPW-UHFFFAOYSA-N 1 0 398.850 3.971 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593315439 859386627 /nfs/dbraw/zinc/38/66/27/859386627.db2.gz GNDMNFUWXALVCY-IIBYNOLFSA-N 1 0 392.503 3.738 20 30 GHEDRO Cc1cccc(CO[C@@H](C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000601656014 859424167 /nfs/dbraw/zinc/42/41/67/859424167.db2.gz DHZVTBLUBVVKGH-IBGZPJMESA-N 1 0 391.515 3.553 20 30 GHEDRO N#CC1(CC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CCOCC1 ZINC000597303051 859433143 /nfs/dbraw/zinc/43/31/43/859433143.db2.gz DIGNEWARGLSDJW-UHFFFAOYSA-N 1 0 395.547 3.744 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000601741002 859497828 /nfs/dbraw/zinc/49/78/28/859497828.db2.gz ZHZUCQOHCYTCCG-UHFFFAOYSA-N 1 0 390.487 3.836 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000132545709 859505103 /nfs/dbraw/zinc/50/51/03/859505103.db2.gz UMAALIOGEFPCNM-LJQANCHMSA-N 1 0 395.528 3.822 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000522418032 859524274 /nfs/dbraw/zinc/52/42/74/859524274.db2.gz CTTGDYWXZNKHKI-HXUWFJFHSA-N 1 0 388.552 3.916 20 30 GHEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC[N@@H+](C2CCC2)C1 ZINC000597427340 859530594 /nfs/dbraw/zinc/53/05/94/859530594.db2.gz QBTFHJCHGVBUPY-QGZVFWFLSA-N 1 0 390.535 3.537 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001170364984 881432003 /nfs/dbraw/zinc/43/20/03/881432003.db2.gz LDURGMYZMKUBAT-HFCFLWKCSA-N 1 0 379.426 3.533 20 30 GHEDRO CC(C)c1ccccc1OCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352220 859534095 /nfs/dbraw/zinc/53/40/95/859534095.db2.gz DPBZGTUYGRGBJP-UHFFFAOYSA-N 1 0 391.515 3.841 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)CC2)c1 ZINC000593352525 859535104 /nfs/dbraw/zinc/53/51/04/859535104.db2.gz DNQSGBSLIXMCME-TZIWHRDSSA-N 1 0 395.453 3.721 20 30 GHEDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593353445 859547824 /nfs/dbraw/zinc/54/78/24/859547824.db2.gz RUGYSXHDEMKDHF-MRXNPFEDSA-N 1 0 397.906 3.760 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000597440045 859550177 /nfs/dbraw/zinc/55/01/77/859550177.db2.gz LKKSAZGOWHMURJ-NRFANRHFSA-N 1 0 392.478 3.551 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3sccc3OC(F)F)CC2)c1 ZINC000593354506 859554053 /nfs/dbraw/zinc/55/40/53/859554053.db2.gz QAHSGZPZSZTEIX-UHFFFAOYSA-N 1 0 391.443 3.616 20 30 GHEDRO N#CC1(c2ccccc2)CCC(n2ccncc2=N[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001170371886 881435196 /nfs/dbraw/zinc/43/51/96/881435196.db2.gz MCASBALWCRRVPF-FDNODPCQSA-N 1 0 375.520 3.630 20 30 GHEDRO CC(C)(C)c1nc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000593356611 859574172 /nfs/dbraw/zinc/57/41/72/859574172.db2.gz YGMAOIGDTRXKSN-UHFFFAOYSA-N 1 0 396.560 3.636 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(Cl)c1 ZINC000611094346 859608090 /nfs/dbraw/zinc/60/80/90/859608090.db2.gz FSIJFWJSPXIHJA-UHFFFAOYSA-N 1 0 396.318 3.630 20 30 GHEDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611204943 859650190 /nfs/dbraw/zinc/65/01/90/859650190.db2.gz CAZCDADDDIILST-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(F)c1 ZINC000466476492 859674200 /nfs/dbraw/zinc/67/42/00/859674200.db2.gz YSZQTLIXGGPJRP-MRXNPFEDSA-N 1 0 391.368 3.607 20 30 GHEDRO Cc1cc(C)cc(C2=CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000611282184 859680796 /nfs/dbraw/zinc/68/07/96/859680796.db2.gz FWOLCKJPSYBRGC-QHCPKHFHSA-N 1 0 376.500 3.899 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1OC ZINC000657786225 859685976 /nfs/dbraw/zinc/68/59/76/859685976.db2.gz NNZVXXXOANXGKS-AWEZNQCLSA-N 1 0 384.314 3.927 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000060630591 859706751 /nfs/dbraw/zinc/70/67/51/859706751.db2.gz LROWJLNEQRYAND-JOCHJYFZSA-N 1 0 376.504 3.831 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)c1cccc(Cl)c1 ZINC000611350789 859715027 /nfs/dbraw/zinc/71/50/27/859715027.db2.gz SFJLVXULJFMNOG-QZTJIDSGSA-N 1 0 389.927 3.725 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc1-c1ccccn1 ZINC000765012701 859727242 /nfs/dbraw/zinc/72/72/42/859727242.db2.gz ORLOCVLSJWFLII-SFHVURJKSA-N 1 0 398.580 3.570 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cn2)c1 ZINC000611385669 859730902 /nfs/dbraw/zinc/73/09/02/859730902.db2.gz AAPGPRUUKJQWPG-GOSISDBHSA-N 1 0 391.475 3.695 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000611387602 859731865 /nfs/dbraw/zinc/73/18/65/859731865.db2.gz DDEVHIAUHIMUHM-LBPRGKRZSA-N 1 0 379.357 3.683 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1cccc(C#N)c1 ZINC000611389303 859733090 /nfs/dbraw/zinc/73/30/90/859733090.db2.gz ZQJVGDVLQZQEFZ-AWEZNQCLSA-N 1 0 386.293 3.630 20 30 GHEDRO CN1CCN([C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2cccs2)CC1 ZINC000611390348 859740553 /nfs/dbraw/zinc/74/05/53/859740553.db2.gz UOJHKHBQHCKDSW-NHCUHLMSSA-N 1 0 380.561 3.575 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=S ZINC000765055560 859754752 /nfs/dbraw/zinc/75/47/52/859754752.db2.gz UJYTWBOBGRNNNC-MOPGFXCFSA-N 1 0 383.565 3.702 20 30 GHEDRO C[N@H+](CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000484024207 859770862 /nfs/dbraw/zinc/77/08/62/859770862.db2.gz ILNMAZJTMNLXQH-FCHUYYIVSA-N 1 0 394.494 3.739 20 30 GHEDRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000611512966 859795166 /nfs/dbraw/zinc/79/51/66/859795166.db2.gz JQFYSKVCDYGPDH-SPEDKVCISA-N 1 0 376.504 3.829 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC4(CC3)COCCO4)c2)c1 ZINC000895694864 859809623 /nfs/dbraw/zinc/80/96/23/859809623.db2.gz MHFQFJPDOUGQOK-UHFFFAOYSA-N 1 0 378.472 3.519 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@]34CCCC[C@H]3C4(F)F)CC2)c1 ZINC000597818739 859828916 /nfs/dbraw/zinc/82/89/16/859828916.db2.gz DFBSVPNBEOAKKX-TZIWHRDSSA-N 1 0 387.474 3.854 20 30 GHEDRO CC(=NNc1cncc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000758129985 859869325 /nfs/dbraw/zinc/86/93/25/859869325.db2.gz NGYYEMJVTMMONH-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO CN=[S@](C)(=O)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000895738143 859899772 /nfs/dbraw/zinc/89/97/72/859899772.db2.gz ZUZCSURQFNQPIB-HHHXNRCGSA-N 1 0 382.533 3.721 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000765321905 859913149 /nfs/dbraw/zinc/91/31/49/859913149.db2.gz AQTQIXSDCHOEHD-GOSISDBHSA-N 1 0 393.483 3.826 20 30 GHEDRO CC(=O)Nc1cc(Br)ccc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000895785139 859939325 /nfs/dbraw/zinc/93/93/25/859939325.db2.gz DCUAZZBGUMWTBY-UHFFFAOYSA-N 1 0 386.293 3.954 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cc2)CC1 ZINC000154071018 859984001 /nfs/dbraw/zinc/98/40/01/859984001.db2.gz KJTJSFPCMXFZFA-UHFFFAOYSA-N 1 0 383.442 3.998 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(c4ccc(OC(F)F)cc4)CC3)n2c1 ZINC000123568801 860001543 /nfs/dbraw/zinc/00/15/43/860001543.db2.gz LDYCLSREJFYUTQ-UHFFFAOYSA-N 1 0 397.429 3.566 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000593496651 860014259 /nfs/dbraw/zinc/01/42/59/860014259.db2.gz VBNBEIVMNKMZSV-LEWJYISDSA-N 1 0 390.531 3.730 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc(C#N)n2)c1 ZINC000602492105 860057662 /nfs/dbraw/zinc/05/76/62/860057662.db2.gz MLZQYMSKAPNNIE-OAHLLOKOSA-N 1 0 381.455 3.517 20 30 GHEDRO C[C@@H](c1cccc(O)c1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511282 860070939 /nfs/dbraw/zinc/07/09/39/860070939.db2.gz JCDAQGDLVWEEIA-KRWDZBQOSA-N 1 0 392.503 3.631 20 30 GHEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000593512213 860080201 /nfs/dbraw/zinc/08/02/01/860080201.db2.gz MDDCSDTVOXKDCV-WZONZLPQSA-N 1 0 388.515 3.925 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000602547973 860094803 /nfs/dbraw/zinc/09/48/03/860094803.db2.gz VISNLSVIZJFALA-JKSUJKDBSA-N 1 0 379.451 3.555 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C2CCC(C#N)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000602555858 860108043 /nfs/dbraw/zinc/10/80/43/860108043.db2.gz BKWMQJNZZQBNLO-ORWMALAUSA-N 1 0 398.528 3.860 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000602565287 860116611 /nfs/dbraw/zinc/11/66/11/860116611.db2.gz DXLCTKVSRKVWNX-HUUCEWRRSA-N 1 0 381.314 3.905 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000765543091 860127384 /nfs/dbraw/zinc/12/73/84/860127384.db2.gz ZCHIOANRKZJOOY-UPVQGACJSA-N 1 0 388.511 3.825 20 30 GHEDRO CCOc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000092854116 860147735 /nfs/dbraw/zinc/14/77/35/860147735.db2.gz JLQKPKJTRRFDLO-UHFFFAOYSA-N 1 0 381.476 3.840 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(ccc(Br)c3C)[nH]2)CC1 ZINC000668369254 860149433 /nfs/dbraw/zinc/14/94/33/860149433.db2.gz RVBFCPREWMFUPZ-UHFFFAOYSA-N 1 0 376.298 3.619 20 30 GHEDRO N#CCCn1ncc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1-c1ccccc1 ZINC000598218992 860165236 /nfs/dbraw/zinc/16/52/36/860165236.db2.gz KJYVVGFRHUNTFY-IBGZPJMESA-N 1 0 391.519 3.601 20 30 GHEDRO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000484634286 860186057 /nfs/dbraw/zinc/18/60/57/860186057.db2.gz GJCZJXUHQXLUFS-VXKWHMMOSA-N 1 0 398.528 3.620 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1OC ZINC000727734126 860207903 /nfs/dbraw/zinc/20/79/03/860207903.db2.gz HJBVAEAXMVHUDH-XETPZZHUSA-N 1 0 384.520 3.750 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(I)cc1 ZINC000602716812 860228618 /nfs/dbraw/zinc/22/86/18/860228618.db2.gz FCUULWHWPPGBMY-CQSZACIVSA-N 1 0 398.288 3.522 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154738389 860247562 /nfs/dbraw/zinc/24/75/62/860247562.db2.gz SIRKABMOMVXSGD-KDURUIRLSA-N 1 0 398.551 3.541 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598395064 860276814 /nfs/dbraw/zinc/27/68/14/860276814.db2.gz BBNZCJXZSLZAMR-HXUWFJFHSA-N 1 0 391.490 3.658 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[N@@H+](C(C)C)CC2)c1=S ZINC000727826635 860280622 /nfs/dbraw/zinc/28/06/22/860280622.db2.gz VZDGYCJFWYCSEY-UHFFFAOYSA-N 1 0 389.544 3.780 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3c3cn[nH]c3)sc2C1 ZINC000602878778 860333629 /nfs/dbraw/zinc/33/36/29/860333629.db2.gz AKHYFSPQDNQPFT-DYVFJYSZSA-N 1 0 383.521 3.633 20 30 GHEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC001170398967 881532938 /nfs/dbraw/zinc/53/29/38/881532938.db2.gz GNZJEDGYTUENTN-JSNMRZPZSA-N 1 0 386.540 3.679 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000904330776 860345818 /nfs/dbraw/zinc/34/58/18/860345818.db2.gz CDPHZBSNAXOREP-WMZHIEFXSA-N 1 0 390.487 3.791 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccnc(OC3CCOCC3)n2)CC1 ZINC001170373807 881534385 /nfs/dbraw/zinc/53/43/85/881534385.db2.gz LJXVUMPNYBKMPL-UHFFFAOYSA-N 1 0 392.503 3.528 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CC[C@H](C)C1 ZINC000484865034 860419307 /nfs/dbraw/zinc/41/93/07/860419307.db2.gz NHHKUUZJCIEFNH-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccc(OC)cc2)cc1 ZINC000598595452 860438123 /nfs/dbraw/zinc/43/81/23/860438123.db2.gz TYGPGBRIGXHJLC-UGKGYDQZSA-N 1 0 382.504 3.878 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000598609317 860441949 /nfs/dbraw/zinc/44/19/49/860441949.db2.gz GODFAQNVQUYHFL-ZYSHUDEJSA-N 1 0 381.923 3.893 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c(-c2ccccc2)n1 ZINC000922711779 860518213 /nfs/dbraw/zinc/51/82/13/860518213.db2.gz WPDUMKWNGREKGR-GOSISDBHSA-N 1 0 391.441 3.580 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000552388516 860521090 /nfs/dbraw/zinc/52/10/90/860521090.db2.gz FTWSWACQCSFOBF-UHFFFAOYSA-N 1 0 381.451 3.743 20 30 GHEDRO C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552428434 860526590 /nfs/dbraw/zinc/52/65/90/860526590.db2.gz BKTSEVFMFPRARW-FXAWDEMLSA-N 1 0 391.490 3.756 20 30 GHEDRO Cc1ccc(C[NH2+][C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N ZINC000922762161 860560952 /nfs/dbraw/zinc/56/09/52/860560952.db2.gz UYIVQCBBHFOCEE-FQEVSTJZSA-N 1 0 399.535 3.905 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C)C1 ZINC000331279227 860573287 /nfs/dbraw/zinc/57/32/87/860573287.db2.gz SRDDEFUHNSZJDV-IUODEOHRSA-N 1 0 384.402 3.651 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC000624979787 860585234 /nfs/dbraw/zinc/58/52/34/860585234.db2.gz NKQCRSLLXLRFPQ-GBGNZALESA-N 1 0 385.556 3.573 20 30 GHEDRO COCCN1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)Cc2cccnc21 ZINC001170381248 881557488 /nfs/dbraw/zinc/55/74/88/881557488.db2.gz KNLAKRRCSQICST-UHFFFAOYSA-N 1 0 390.531 3.754 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000624984623 860615927 /nfs/dbraw/zinc/61/59/27/860615927.db2.gz JSGVWYFPVGBIQJ-HNBVOPMISA-N 1 0 385.556 3.547 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccnn3-c3ccc(F)cc3)C2)c(F)c1 ZINC000474712298 860668884 /nfs/dbraw/zinc/66/88/84/860668884.db2.gz UQDATOGGYYSKKR-GOSISDBHSA-N 1 0 393.441 3.781 20 30 GHEDRO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000593679173 860802540 /nfs/dbraw/zinc/80/25/40/860802540.db2.gz VWPHICACFBKUEO-QHCPKHFHSA-N 1 0 385.515 3.834 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000603557436 860808542 /nfs/dbraw/zinc/80/85/42/860808542.db2.gz CPUYCRWMVAETPE-INIZCTEOSA-N 1 0 397.906 3.760 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c(-c2ccncc2)n1 ZINC000896533359 860880877 /nfs/dbraw/zinc/88/08/77/860880877.db2.gz BAGOXATYAUPDCU-KRWDZBQOSA-N 1 0 392.532 3.770 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccc(Oc4cnccn4)cc3)CC2)c1 ZINC000593692348 860884244 /nfs/dbraw/zinc/88/42/44/860884244.db2.gz COVDXSMEIUBTEP-UHFFFAOYSA-N 1 0 399.498 3.895 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1OC ZINC000623361444 860923013 /nfs/dbraw/zinc/92/30/13/860923013.db2.gz CLSROVCCSYZVFB-ZDUSSCGKSA-N 1 0 392.849 3.887 20 30 GHEDRO CC(C)(C)Oc1cccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000600083995 860925696 /nfs/dbraw/zinc/92/56/96/860925696.db2.gz ZSSJVDMGKDALDX-UHFFFAOYSA-N 1 0 392.503 3.525 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)C2=O)cc1 ZINC000603629582 860932933 /nfs/dbraw/zinc/93/29/33/860932933.db2.gz UEWIYDBIDRLGND-FXAWDEMLSA-N 1 0 386.455 3.684 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000603632800 860954205 /nfs/dbraw/zinc/95/42/05/860954205.db2.gz CUWZRGRLTRFKOK-GOSISDBHSA-N 1 0 395.503 3.817 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000603649110 860975046 /nfs/dbraw/zinc/97/50/46/860975046.db2.gz WUSCUKIBDGYIFV-UHFFFAOYSA-N 1 0 397.548 3.847 20 30 GHEDRO COc1ccccc1NC(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000329091362 861008568 /nfs/dbraw/zinc/00/85/68/861008568.db2.gz ADBNGNXXIOEDTN-ROUUACIJSA-N 1 0 399.535 3.786 20 30 GHEDRO CC1(C)CC(NC(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)CC(C)(C)[NH2+]1 ZINC000329119359 861034996 /nfs/dbraw/zinc/03/49/96/861034996.db2.gz PBZPXERJQQKSTN-UHFFFAOYSA-N 1 0 399.535 3.770 20 30 GHEDRO Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329126226 861043928 /nfs/dbraw/zinc/04/39/28/861043928.db2.gz UDYODXFPJANBEK-MSOLQXFVSA-N 1 0 383.521 3.889 20 30 GHEDRO Cc1ccc(CC[N@@H+](Cc2ccco2)C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599301797 861044355 /nfs/dbraw/zinc/04/43/55/861044355.db2.gz BANKCNWOBDAWKH-NRFANRHFSA-N 1 0 382.504 3.704 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1OC ZINC000623444760 861075329 /nfs/dbraw/zinc/07/53/29/861075329.db2.gz QTJWAZUUEUXVPQ-HNNXBMFYSA-N 1 0 391.874 3.816 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000599350140 861090386 /nfs/dbraw/zinc/09/03/86/861090386.db2.gz UNIOCXFJFUFOQI-MGPUTAFESA-N 1 0 381.451 3.783 20 30 GHEDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000329164960 861091945 /nfs/dbraw/zinc/09/19/45/861091945.db2.gz HCZZGVLNEPZKEN-AWEZNQCLSA-N 1 0 385.489 3.860 20 30 GHEDRO CN(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(F)cc1 ZINC000176988379 861120876 /nfs/dbraw/zinc/12/08/76/861120876.db2.gz BLZWEBCHRCOMCN-UHFFFAOYSA-N 1 0 391.494 3.824 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000599403942 861141841 /nfs/dbraw/zinc/14/18/41/861141841.db2.gz JJZGKNZJGARWSW-ZWKOTPCHSA-N 1 0 382.426 3.817 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC ZINC000623516365 861148969 /nfs/dbraw/zinc/14/89/69/861148969.db2.gz OXJZEFULGLPEIQ-OXJNMPFZSA-N 1 0 395.927 3.571 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000599386719 861151414 /nfs/dbraw/zinc/15/14/14/861151414.db2.gz WOEBUNRNDGTCOW-DENIHFKCSA-N 1 0 394.515 3.988 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1)C(=O)N1CCCCC1 ZINC000329234062 861180456 /nfs/dbraw/zinc/18/04/56/861180456.db2.gz HKIOHQMSWHLCHG-ROUUACIJSA-N 1 0 389.515 3.753 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)CCOCC1 ZINC000599412496 861183239 /nfs/dbraw/zinc/18/32/39/861183239.db2.gz JZRMDCLYTZJWTB-SFHVURJKSA-N 1 0 396.453 3.989 20 30 GHEDRO C=CCN1CC[C@]2(CCCN(C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168048770 863079794 /nfs/dbraw/zinc/07/97/94/863079794.db2.gz XJMHPDOMGILJLU-WATLYSKOSA-N 1 0 395.591 3.929 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1F ZINC000182001610 863082145 /nfs/dbraw/zinc/08/21/45/863082145.db2.gz NLBXOWTUDUROAF-WZHMAMEKSA-N 1 0 375.488 3.804 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000733804112 863171525 /nfs/dbraw/zinc/17/15/25/863171525.db2.gz XTDXNCLBSTXERG-UYAOXDASSA-N 1 0 386.540 3.821 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)[NH+]2CCCC2)cc1 ZINC000143123847 863195459 /nfs/dbraw/zinc/19/54/59/863195459.db2.gz BTUOVXDJQZKOJI-RXVVDRJESA-N 1 0 377.488 3.587 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[NH+]2CCCC2)cc1 ZINC000182384524 863208945 /nfs/dbraw/zinc/20/89/45/863208945.db2.gz SJXRFHIDCKOHFN-QFIPXVFZSA-N 1 0 389.499 3.817 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000733851233 863217903 /nfs/dbraw/zinc/21/79/03/863217903.db2.gz ZQTHRHSWAOLNLU-PMACEKPBSA-N 1 0 384.524 3.527 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182558241 863280608 /nfs/dbraw/zinc/28/06/08/863280608.db2.gz NKDOIKCJWSWGBY-GOSISDBHSA-N 1 0 377.488 3.790 20 30 GHEDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160185062 863390848 /nfs/dbraw/zinc/39/08/48/863390848.db2.gz TWNJKLXJYLVGPL-MJGOQNOKSA-N 1 0 394.494 3.697 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)o2)cc1 ZINC000482619619 863391598 /nfs/dbraw/zinc/39/15/98/863391598.db2.gz LWDDUYMIVATSBD-UHFFFAOYSA-N 1 0 393.487 3.867 20 30 GHEDRO C=CC[C@H](CO)NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000182910892 863402310 /nfs/dbraw/zinc/40/23/10/863402310.db2.gz XEHZEOAFKHTCGX-JOCHJYFZSA-N 1 0 393.531 3.686 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(I)cc2)CC1 ZINC000482627430 863402469 /nfs/dbraw/zinc/40/24/69/863402469.db2.gz HFTNBRYKJXDHCU-AWEZNQCLSA-N 1 0 384.305 3.982 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000593974069 863587738 /nfs/dbraw/zinc/58/77/38/863587738.db2.gz RUVKFLOIWFLYMQ-INIZCTEOSA-N 1 0 385.458 3.605 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000262406316 863616853 /nfs/dbraw/zinc/61/68/53/863616853.db2.gz ONYPGYZZRVIWFF-VCOUNFBDSA-N 1 0 379.504 3.891 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1OCC ZINC000469864022 863655338 /nfs/dbraw/zinc/65/53/38/863655338.db2.gz QYYINUYZEBJTOZ-HIFRSBDPSA-N 1 0 383.330 3.582 20 30 GHEDRO COc1cc(C[N@@H+]2CCCCC[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000594017091 863752556 /nfs/dbraw/zinc/75/25/56/863752556.db2.gz QQDGYUBUHJPJPV-NRFANRHFSA-N 1 0 380.488 3.883 20 30 GHEDRO CSc1ccc(CN(C)C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032556 863819258 /nfs/dbraw/zinc/81/92/58/863819258.db2.gz IWJVRDWRUXLKFM-UHFFFAOYSA-N 1 0 379.529 3.908 20 30 GHEDRO CC(C)OCc1ccc(CNC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032550 863819418 /nfs/dbraw/zinc/81/94/18/863819418.db2.gz XDIYIDVPJOIKLF-UHFFFAOYSA-N 1 0 391.515 3.768 20 30 GHEDRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000480019751 863852517 /nfs/dbraw/zinc/85/25/17/863852517.db2.gz FXUAIXFUJIIOMA-XMMPIXPASA-N 1 0 399.542 3.885 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCCO1 ZINC000594041564 863877492 /nfs/dbraw/zinc/87/74/92/863877492.db2.gz FUPQEAXFTAUASP-SJORKVTESA-N 1 0 375.538 3.764 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cn2)cc1 ZINC000594064823 863996895 /nfs/dbraw/zinc/99/68/95/863996895.db2.gz KVSUCSGLZFUITC-VQTJNVASSA-N 1 0 391.475 3.884 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1C#N ZINC000554272999 864025608 /nfs/dbraw/zinc/02/56/08/864025608.db2.gz ABISXMPJFPCZLR-NQIIRXRSSA-N 1 0 397.567 3.589 20 30 GHEDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C2 ZINC000621679873 864369560 /nfs/dbraw/zinc/36/95/60/864369560.db2.gz WWMAHHKCKKVDGX-OCCSQVGLSA-N 1 0 398.322 3.929 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000734658866 864375803 /nfs/dbraw/zinc/37/58/03/864375803.db2.gz LYJDVPSQFXEGDG-VXKWHMMOSA-N 1 0 378.520 3.835 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000554471028 864388386 /nfs/dbraw/zinc/38/83/86/864388386.db2.gz XGCBFDBTULEBPA-UHFFFAOYSA-N 1 0 376.504 3.820 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000131070594 864395982 /nfs/dbraw/zinc/39/59/82/864395982.db2.gz NFKAFSBVVINAQM-UHFFFAOYSA-N 1 0 386.503 3.603 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000475174226 864399570 /nfs/dbraw/zinc/39/95/70/864399570.db2.gz ISJPMXOIPKWZEX-QGZVFWFLSA-N 1 0 385.552 3.666 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(CC#N)c3)CC2)cc1 ZINC000455945111 864487605 /nfs/dbraw/zinc/48/76/05/864487605.db2.gz LHYJNPNGNRLUOY-UHFFFAOYSA-N 1 0 378.476 3.501 20 30 GHEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000554552153 864517990 /nfs/dbraw/zinc/51/79/90/864517990.db2.gz FDKYDFTZCHTPNY-HNNXBMFYSA-N 1 0 376.298 3.530 20 30 GHEDRO C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272206326 881778652 /nfs/dbraw/zinc/77/86/52/881778652.db2.gz BLFUIQIWNANMDP-PGRDOPGGSA-N 1 0 376.504 3.610 20 30 GHEDRO CC[C@@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000480386216 864595581 /nfs/dbraw/zinc/59/55/81/864595581.db2.gz LIODTJKLDHMTFB-VGSWGCGISA-N 1 0 393.535 3.640 20 30 GHEDRO CC(C)Oc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000586051495 864604588 /nfs/dbraw/zinc/60/45/88/864604588.db2.gz QEMPMEFXWUNGMG-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO C=C(C)CSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000248130723 864612748 /nfs/dbraw/zinc/61/27/48/864612748.db2.gz QFNTWBHXWDAUIR-UHFFFAOYSA-N 1 0 377.579 3.957 20 30 GHEDRO CCOCCC[N@@H+]1CCC(N=Nc2ncnc3c4ccccc4oc32)[C@H](C)C1 ZINC000735227788 864671796 /nfs/dbraw/zinc/67/17/96/864671796.db2.gz ZEMMJGMADROSKW-OAHLLOKOSA-N 1 0 381.480 3.912 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000735491445 864827652 /nfs/dbraw/zinc/82/76/52/864827652.db2.gz HNMYPSHTWVDECD-XDNAFOTISA-N 1 0 396.560 3.810 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NCc2ccon2)cc1 ZINC000131095026 864896865 /nfs/dbraw/zinc/89/68/65/864896865.db2.gz YZNBYTKORZWHGN-UHFFFAOYSA-O 1 0 386.884 3.653 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)C(C)C ZINC000480642111 865003458 /nfs/dbraw/zinc/00/34/58/865003458.db2.gz CCSLGCIJXLRDKW-PMACEKPBSA-N 1 0 399.535 3.960 20 30 GHEDRO C=C(C)COCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455950957 865032795 /nfs/dbraw/zinc/03/27/95/865032795.db2.gz YTVIUEQBFIDSKI-UHFFFAOYSA-N 1 0 381.904 3.527 20 30 GHEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc(-c3ccccc3C#N)cc2)O1 ZINC000554847023 865035183 /nfs/dbraw/zinc/03/51/83/865035183.db2.gz OENDPTDDXQGBDO-LSUGYDDCSA-N 1 0 390.483 3.909 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000735939245 865062148 /nfs/dbraw/zinc/06/21/48/865062148.db2.gz AZTGXLNZCPCCRR-UHFFFAOYSA-N 1 0 381.472 3.613 20 30 GHEDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1cccc(C#Cc2cccs2)c1 ZINC000608273316 865141681 /nfs/dbraw/zinc/14/16/81/865141681.db2.gz ZNMAOZAIRSDDIU-FQEVSTJZSA-N 1 0 397.544 3.506 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2OCCOCC)CC1 ZINC000171637172 865315299 /nfs/dbraw/zinc/31/52/99/865315299.db2.gz HIDXGAZMJPUNCA-UHFFFAOYSA-N 1 0 381.904 3.527 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000171717721 865343404 /nfs/dbraw/zinc/34/34/04/865343404.db2.gz FZLBGUZKTFMJFK-CYBMUJFWSA-N 1 0 383.355 3.696 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)CC1 ZINC000171726991 865346321 /nfs/dbraw/zinc/34/63/21/865346321.db2.gz SOZHKOQEFJAASA-UHFFFAOYSA-N 1 0 380.916 3.764 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171823043 865384781 /nfs/dbraw/zinc/38/47/81/865384781.db2.gz SHUFPOXFAUEUKP-UHFFFAOYSA-N 1 0 379.504 3.847 20 30 GHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)ccc2NC1=O ZINC000174139826 865463217 /nfs/dbraw/zinc/46/32/17/865463217.db2.gz OHRNAINRPKRWEO-MDOVXXIYSA-N 1 0 379.460 3.938 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)N2Cc3ccc(C#N)cc3C2)C[N@@H+]1Cc1ccccc1 ZINC000594234756 865502333 /nfs/dbraw/zinc/50/23/33/865502333.db2.gz XHFGJUXMDRAXLJ-RXVVDRJESA-N 1 0 388.515 3.884 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1-c1ccco1 ZINC000738273334 865512368 /nfs/dbraw/zinc/51/23/68/865512368.db2.gz ZBLFNCCTHVBCGC-QGZVFWFLSA-N 1 0 387.553 3.768 20 30 GHEDRO N#CCCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000608832447 865735631 /nfs/dbraw/zinc/73/56/31/865735631.db2.gz SORSSIAIMHGXRP-QFIPXVFZSA-N 1 0 379.479 3.605 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000555253898 865768959 /nfs/dbraw/zinc/76/89/59/865768959.db2.gz UKYCVTDFLWQJAC-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cnc(N4CCCC4)nc3)c2)s1 ZINC000740014848 865844105 /nfs/dbraw/zinc/84/41/05/865844105.db2.gz WLALOJFILMHJND-UHFFFAOYSA-N 1 0 375.501 3.967 20 30 GHEDRO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(-c2ccnn2C)c1 ZINC000555323120 865921385 /nfs/dbraw/zinc/92/13/85/865921385.db2.gz NGLVCCJEQYGLFN-XMMPIXPASA-N 1 0 385.515 3.778 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC001126596975 865962476 /nfs/dbraw/zinc/96/24/76/865962476.db2.gz KYQVXYSCRLSRDJ-BQYDLMEBSA-N 1 0 384.520 3.654 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)CC2CCC2)cc1OC ZINC000475514227 866156138 /nfs/dbraw/zinc/15/61/38/866156138.db2.gz XCPWVUGYIOVQID-OAHLLOKOSA-N 1 0 384.314 3.663 20 30 GHEDRO C=C(C)[C@H](CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)OCC ZINC000534225744 866336893 /nfs/dbraw/zinc/33/68/93/866336893.db2.gz JOFRFQKCAUBPCZ-QSFXBCCZSA-N 1 0 382.907 3.959 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CC1 ZINC000478614071 866351634 /nfs/dbraw/zinc/35/16/34/866351634.db2.gz FWRPRHGIXKQEJA-UHFFFAOYSA-N 1 0 395.334 3.967 20 30 GHEDRO COc1ccccc1-c1ccc(C(C)=NNC(=S)NCCC[NH+](C)C)cc1 ZINC000741463643 866531614 /nfs/dbraw/zinc/53/16/14/866531614.db2.gz FIIBONKKGOLODW-UHFFFAOYSA-N 1 0 384.549 3.502 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNCCc2ccc(OC)cc2)c1C ZINC000737439767 866667264 /nfs/dbraw/zinc/66/72/64/866667264.db2.gz GXMFZNHCUIRMPD-QFIPXVFZSA-N 1 0 382.552 3.764 20 30 GHEDRO C#CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000741661240 866701756 /nfs/dbraw/zinc/70/17/56/866701756.db2.gz CFEVWBQPXVEHJI-UHFFFAOYSA-N 1 0 382.891 3.746 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000129772172 866718335 /nfs/dbraw/zinc/71/83/35/866718335.db2.gz ZZYZANWABCOIRE-OXQOHEQNSA-N 1 0 385.558 3.911 20 30 GHEDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000444686987 867031565 /nfs/dbraw/zinc/03/15/65/867031565.db2.gz FMCGESSJIDBCDW-KRWDZBQOSA-N 1 0 377.554 3.939 20 30 GHEDRO FC(F)(F)c1ccn([C@H]2CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C2)n1 ZINC000189922218 882041181 /nfs/dbraw/zinc/04/11/81/882041181.db2.gz ULIMARJHOWRSBK-JTQLQIEISA-N 1 0 395.294 3.753 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)cc1C#N ZINC000742367199 867238399 /nfs/dbraw/zinc/23/83/99/867238399.db2.gz KEDSIUZWCUTNBH-UHFFFAOYSA-N 1 0 389.455 3.839 20 30 GHEDRO C=C[C@@H](CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000534674694 867264111 /nfs/dbraw/zinc/26/41/11/867264111.db2.gz AHBGFZUMIVNXFN-RTWAWAEBSA-N 1 0 377.532 3.673 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1C#N ZINC000742371393 867265898 /nfs/dbraw/zinc/26/58/98/867265898.db2.gz UWNIKEHMPCHEOI-MRXNPFEDSA-N 1 0 391.393 3.834 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)ccc1OC ZINC000742375948 867268609 /nfs/dbraw/zinc/26/86/09/867268609.db2.gz YGTFIHLIFPKGGP-HXUWFJFHSA-N 1 0 380.488 3.854 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(F)ccc3Br)CC2)nc1 ZINC000121508956 867425473 /nfs/dbraw/zinc/42/54/73/867425473.db2.gz OXZXEDBBGTVIEX-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN1Cc2ccccc2C1 ZINC000742691780 867486993 /nfs/dbraw/zinc/48/69/93/867486993.db2.gz AZBGVJCKFSYHQD-UHFFFAOYSA-N 1 0 385.305 3.567 20 30 GHEDRO C=CCn1c(COc2ccccc2F)nnc1SCC[C@@H]1CCC[N@H+]1C ZINC000153909072 867529718 /nfs/dbraw/zinc/52/97/18/867529718.db2.gz JAWKVMPKPKZVLQ-HNNXBMFYSA-N 1 0 376.501 3.759 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000479376909 867652915 /nfs/dbraw/zinc/65/29/15/867652915.db2.gz FTEKBWFCCFATNE-OAQYLSRUSA-N 1 0 391.556 3.616 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406039 867828015 /nfs/dbraw/zinc/82/80/15/867828015.db2.gz AIRFBQYJEMFHBG-KRWDZBQOSA-N 1 0 396.922 3.747 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000743195619 867940823 /nfs/dbraw/zinc/94/08/23/867940823.db2.gz ZBXDHFRBBHQIHS-IBGZPJMESA-N 1 0 395.478 3.524 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000743196646 867944298 /nfs/dbraw/zinc/94/42/98/867944298.db2.gz UFYBJIJPPPIEAF-SFHVURJKSA-N 1 0 385.439 3.779 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000743199126 867950266 /nfs/dbraw/zinc/95/02/66/867950266.db2.gz VDDRXBVRDGLVQL-GOSISDBHSA-N 1 0 387.499 3.958 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000743201797 867952493 /nfs/dbraw/zinc/95/24/93/867952493.db2.gz LPFIDPIRDGBKJM-UHFFFAOYSA-N 1 0 397.494 3.866 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CC1 ZINC000155965674 868201418 /nfs/dbraw/zinc/20/14/18/868201418.db2.gz XTAWOPUBHVSPRZ-UHFFFAOYSA-N 1 0 378.520 3.585 20 30 GHEDRO Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000743474456 868223898 /nfs/dbraw/zinc/22/38/98/868223898.db2.gz UAMZRKBZSXTIJH-HSZRJFAPSA-N 1 0 388.515 3.621 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)C2)nc1 ZINC000428777251 868255591 /nfs/dbraw/zinc/25/55/91/868255591.db2.gz DVYOIFWIHCSRMK-QFIPXVFZSA-N 1 0 386.455 3.581 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000609071255 868282216 /nfs/dbraw/zinc/28/22/16/868282216.db2.gz LGHQTXPMXUXJNU-UHFFFAOYSA-N 1 0 395.503 3.923 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508844598 868282536 /nfs/dbraw/zinc/28/25/36/868282536.db2.gz JDPXKXCLSQXKEJ-RTBURBONSA-N 1 0 382.556 3.560 20 30 GHEDRO C[C@@H](C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)CO)c1ccccc1 ZINC000553944318 868475719 /nfs/dbraw/zinc/47/57/19/868475719.db2.gz QQEWFOCREJITOC-HOTGVXAUSA-N 1 0 385.895 3.637 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)[NH+](C)C)cc1 ZINC000554015018 868625857 /nfs/dbraw/zinc/62/58/57/868625857.db2.gz GWNFLNPWWNMYBI-LAUBAEHRSA-N 1 0 395.503 3.532 20 30 GHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000442763706 868819048 /nfs/dbraw/zinc/81/90/48/868819048.db2.gz BKTSYOVOIHKEIT-SFHVURJKSA-N 1 0 392.421 3.928 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C#N ZINC000535471068 868823963 /nfs/dbraw/zinc/82/39/63/868823963.db2.gz YVXXIUOREZCEGF-ICSRJNTNSA-N 1 0 392.528 3.728 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508846477 868837318 /nfs/dbraw/zinc/83/73/18/868837318.db2.gz RLIBERARVPGPRA-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO COc1ccc(C2CC[NH+](Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)cc1 ZINC000744437404 868839320 /nfs/dbraw/zinc/83/93/20/868839320.db2.gz SJDNKQBAEKUEEW-UHFFFAOYSA-N 1 0 387.487 3.971 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cc1 ZINC000744746605 869043853 /nfs/dbraw/zinc/04/38/53/869043853.db2.gz UPWJYQNINQAXPL-SFHVURJKSA-N 1 0 378.472 3.672 20 30 GHEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000445885435 869091672 /nfs/dbraw/zinc/09/16/72/869091672.db2.gz NJFIGORWFONGJO-HNNXBMFYSA-N 1 0 394.359 3.740 20 30 GHEDRO CCCCNC(=O)C1([NH2+]Cc2ccc(C#N)cc2OC(F)F)CCCCC1 ZINC000440903552 869174050 /nfs/dbraw/zinc/17/40/50/869174050.db2.gz KNUJLJYXDMSRRO-UHFFFAOYSA-N 1 0 379.451 3.868 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000445963773 869205985 /nfs/dbraw/zinc/20/59/85/869205985.db2.gz XBMYFTXJKQFBSN-JOCHJYFZSA-N 1 0 375.516 3.863 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)n2)c1 ZINC000539508615 869272686 /nfs/dbraw/zinc/27/26/86/869272686.db2.gz DEUVHBKFOLUMPJ-UHFFFAOYSA-N 1 0 399.498 3.660 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 ZINC000524687058 869451173 /nfs/dbraw/zinc/45/11/73/869451173.db2.gz ZEIVQKSNAXJWOZ-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO COc1cc(C[N@@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)ccc1C#N ZINC000793605206 882309534 /nfs/dbraw/zinc/30/95/34/882309534.db2.gz OOHWISXTYOUVCQ-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccccc1 ZINC000550834719 882309697 /nfs/dbraw/zinc/30/96/97/882309697.db2.gz CTJZLYULPFZBLA-SFTDATJTSA-N 1 0 383.517 3.736 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000766330381 869507760 /nfs/dbraw/zinc/50/77/60/869507760.db2.gz JXWGWLXZAXXYFL-QZTJIDSGSA-N 1 0 375.538 3.827 20 30 GHEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539764277 869740411 /nfs/dbraw/zinc/74/04/11/869740411.db2.gz BZMZODAPMBMNGW-IBGZPJMESA-N 1 0 379.508 3.982 20 30 GHEDRO CC[C@H](Cc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000539793543 869789608 /nfs/dbraw/zinc/78/96/08/869789608.db2.gz VPBCMEJKUFPRFP-JOCHJYFZSA-N 1 0 375.516 3.930 20 30 GHEDRO S=C(NN=C1CCc2ccccc2C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000745843451 869843221 /nfs/dbraw/zinc/84/32/21/869843221.db2.gz JQQDNGZUPHIVLX-UHFFFAOYSA-N 1 0 392.572 3.660 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000745819819 869845053 /nfs/dbraw/zinc/84/50/53/869845053.db2.gz DZHUFBHRSGBZJY-AABGKKOBSA-N 1 0 384.524 3.524 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000745890842 869868069 /nfs/dbraw/zinc/86/80/69/869868069.db2.gz COCLLUWGFSUFLF-UTKZUKDTSA-N 1 0 394.494 3.892 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2cc(Br)ccc2F)CC1 ZINC000130892584 870265222 /nfs/dbraw/zinc/26/52/22/870265222.db2.gz YBSCARDMVLMVDK-UHFFFAOYSA-N 1 0 383.305 3.678 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)c(Br)c1 ZINC001192516884 870449786 /nfs/dbraw/zinc/44/97/86/870449786.db2.gz ZIGKZPKKQPFSIS-XIKOKIGWSA-N 1 0 375.266 3.714 20 30 GHEDRO N#CC1(NC(=O)C(F)(F)Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000793782606 882409260 /nfs/dbraw/zinc/40/92/60/882409260.db2.gz GCNGVUXCEQKXNY-UHFFFAOYSA-N 1 0 383.442 3.539 20 30 GHEDRO C=CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732174 870466058 /nfs/dbraw/zinc/46/60/58/870466058.db2.gz QCMKTSNEFTWAMQ-JEJOPICUSA-N 1 0 390.447 3.833 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000525387429 870619874 /nfs/dbraw/zinc/61/98/74/870619874.db2.gz AXGDDEDDJSDQJH-RXVVDRJESA-N 1 0 397.544 3.713 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000746449649 870748652 /nfs/dbraw/zinc/74/86/52/870748652.db2.gz KLDZNGMOWIXFOQ-OAQYLSRUSA-N 1 0 398.551 3.516 20 30 GHEDRO COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(OCC#N)cc3)c2C)cc1 ZINC000766437265 870767514 /nfs/dbraw/zinc/76/75/14/870767514.db2.gz ZYXLLIZTUCNGRT-UHFFFAOYSA-N 1 0 390.487 3.749 20 30 GHEDRO C=CCC[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000617703385 870787474 /nfs/dbraw/zinc/78/74/74/870787474.db2.gz HOAXXZVZSIYEJY-DHIUTWEWSA-N 1 0 378.516 3.619 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168807300 870857767 /nfs/dbraw/zinc/85/77/67/870857767.db2.gz OAIUTCIVJZCYOY-UWJYYQICSA-N 1 0 398.551 3.510 20 30 GHEDRO C=CCC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000249772265 870906940 /nfs/dbraw/zinc/90/69/40/870906940.db2.gz BTLSFKOQDZBWSM-DHIUTWEWSA-N 1 0 378.516 3.619 20 30 GHEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CN1C(=O)OC(C)(C)C ZINC001168874986 870958883 /nfs/dbraw/zinc/95/88/83/870958883.db2.gz XDTWXZACRUZGOQ-BHIYHBOVSA-N 1 0 385.508 3.799 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429715761 871035510 /nfs/dbraw/zinc/03/55/10/871035510.db2.gz IUOWADYTWXUEMS-UHFFFAOYSA-N 1 0 393.535 3.706 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181526113 871143625 /nfs/dbraw/zinc/14/36/25/871143625.db2.gz CPUCYGUDWFHCOV-SJORKVTESA-N 1 0 393.487 3.658 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441220649 871169564 /nfs/dbraw/zinc/16/95/64/871169564.db2.gz AZRSBYIEDBGGLO-RBUKOAKNSA-N 1 0 398.551 3.779 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC001169187209 871284345 /nfs/dbraw/zinc/28/43/45/871284345.db2.gz DEGXLPZBTUUBGV-HSZRJFAPSA-N 1 0 375.516 3.813 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(Cl)nc2[nH]cc(C#N)c21 ZINC001169174459 871299063 /nfs/dbraw/zinc/29/90/63/871299063.db2.gz FXVIKVWHSMXENI-UHFFFAOYSA-N 1 0 379.851 3.850 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(F)cc2C#N)CC1 ZINC000181641561 871318710 /nfs/dbraw/zinc/31/87/10/871318710.db2.gz QYHVDKNMVASNGB-MRXNPFEDSA-N 1 0 384.474 3.829 20 30 GHEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000181636777 871319326 /nfs/dbraw/zinc/31/93/26/871319326.db2.gz FSCCJDVMISRKPJ-IBGZPJMESA-N 1 0 378.444 3.597 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001193897556 871385212 /nfs/dbraw/zinc/38/52/12/871385212.db2.gz DKOUEXCOYVHWGX-IRXDYDNUSA-N 1 0 383.517 3.537 20 30 GHEDRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)c1cccc(C#N)c1 ZINC001194107306 871480829 /nfs/dbraw/zinc/48/08/29/871480829.db2.gz HVSNPSYRDQZXEN-QGZVFWFLSA-N 1 0 395.322 3.564 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@H]1OC ZINC001194093645 871501316 /nfs/dbraw/zinc/50/13/16/871501316.db2.gz VWDSKZKWAWFRSB-UPRAQXHNSA-N 1 0 377.916 3.970 20 30 GHEDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000447401580 871538306 /nfs/dbraw/zinc/53/83/06/871538306.db2.gz AELVHAGVPBFNDL-FQEVSTJZSA-N 1 0 377.916 3.868 20 30 GHEDRO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000447405253 871544846 /nfs/dbraw/zinc/54/48/46/871544846.db2.gz WZLGQLFIVXAIGV-SFHVURJKSA-N 1 0 399.498 3.646 20 30 GHEDRO N#CCCn1cc(CN2CC[NH+](CCc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000122311049 882521859 /nfs/dbraw/zinc/52/18/59/882521859.db2.gz DJANDTOGVRKBHJ-UHFFFAOYSA-N 1 0 399.542 3.824 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)ccc1OCc1ccccc1 ZINC000539254585 871563145 /nfs/dbraw/zinc/56/31/45/871563145.db2.gz BAJWRBDTWNEJFD-ZWKOTPCHSA-N 1 0 395.503 3.685 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000540597264 871662666 /nfs/dbraw/zinc/66/26/66/871662666.db2.gz NDNJUGXYBNVUDT-ROUUACIJSA-N 1 0 397.544 3.830 20 30 GHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCCCC1 ZINC000540589377 871689826 /nfs/dbraw/zinc/68/98/26/871689826.db2.gz VCCBXIGCOAFPOZ-IBGZPJMESA-N 1 0 388.581 3.500 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCC2)c1 ZINC000508629761 882538528 /nfs/dbraw/zinc/53/85/28/882538528.db2.gz KZYUMPDRHCZKFR-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000921073437 882538909 /nfs/dbraw/zinc/53/89/09/882538909.db2.gz HFVXLDQKUQRPNW-CQSZACIVSA-N 1 0 380.330 3.626 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000539332310 871712992 /nfs/dbraw/zinc/71/29/92/871712992.db2.gz RONQWKSJIGMJPH-NRFANRHFSA-N 1 0 386.492 3.992 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC001194444447 871723756 /nfs/dbraw/zinc/72/37/56/871723756.db2.gz BOCXWMXBJHYXHU-HMXCVIKNSA-N 1 0 383.536 3.876 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000447526574 871755139 /nfs/dbraw/zinc/75/51/39/871755139.db2.gz DBGMTLIEQUIZEB-OAQYLSRUSA-N 1 0 397.544 3.974 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000182028083 871755481 /nfs/dbraw/zinc/75/54/81/871755481.db2.gz MQVPUXVRHATMJP-PBHICJAKSA-N 1 0 378.394 3.959 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c(C(F)(F)F)c1 ZINC001169756623 871842731 /nfs/dbraw/zinc/84/27/31/871842731.db2.gz JWXDYAIDCNMMTC-GOSISDBHSA-N 1 0 387.405 3.971 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000463506019 871895923 /nfs/dbraw/zinc/89/59/23/871895923.db2.gz QDUKDZARSIJTFW-OAQYLSRUSA-N 1 0 380.488 3.827 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2CC2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C ZINC000022688512 871909850 /nfs/dbraw/zinc/90/98/50/871909850.db2.gz NOKQTGITBNTPCK-UHFFFAOYSA-O 1 0 384.569 3.918 20 30 GHEDRO O=C(c1ccc(F)cc1F)C(C(=S)NC1CC1)[n+]1ccc2c(c1)CCCC2 ZINC000022688580 871910259 /nfs/dbraw/zinc/91/02/59/871910259.db2.gz SIBHGNIFGPYWRG-UHFFFAOYSA-O 1 0 387.475 3.822 20 30 GHEDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447580316 871929582 /nfs/dbraw/zinc/92/95/82/871929582.db2.gz NTJMNRXCKRTWOR-JOCHJYFZSA-N 1 0 397.544 3.700 20 30 GHEDRO C=CC[C@@H]1[N@H+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CCCC1(C)C ZINC001169845401 871936153 /nfs/dbraw/zinc/93/61/53/871936153.db2.gz UCSGMNHVNIITKI-SJORKVTESA-N 1 0 392.540 3.606 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000921075331 882562172 /nfs/dbraw/zinc/56/21/72/882562172.db2.gz KBVQWCWCKLXXEO-GJZGRUSLSA-N 1 0 394.357 3.872 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000552057159 871950325 /nfs/dbraw/zinc/95/03/25/871950325.db2.gz HDWAISISAQBOPV-MDNUFGMLSA-N 1 0 391.515 3.874 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](C[C@@H](O)c3cccc(C#N)c3)CC2)C1 ZINC001194835389 871980400 /nfs/dbraw/zinc/98/04/00/871980400.db2.gz SRDJFFBCVBWEBP-LEWJYISDSA-N 1 0 399.535 3.561 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618822347 872007804 /nfs/dbraw/zinc/00/78/04/872007804.db2.gz RSQSQBIDBMXSQO-ODOSVJCGSA-N 1 0 388.515 3.898 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@@H]1c1cccs1 ZINC000618815718 872022236 /nfs/dbraw/zinc/02/22/36/872022236.db2.gz OUYUZXIWZLYLCD-YFVAEKQCSA-N 1 0 394.544 3.989 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618842374 872054735 /nfs/dbraw/zinc/05/47/35/872054735.db2.gz LQJLDJIHGFIXEP-MBSDFSHPSA-N 1 0 388.515 3.852 20 30 GHEDRO CCN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618849112 872071911 /nfs/dbraw/zinc/07/19/11/872071911.db2.gz MIKPHINDWJEAMG-FYYLOGMGSA-N 1 0 388.515 3.852 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NCC(F)(F)F)cc1 ZINC000101535154 872072190 /nfs/dbraw/zinc/07/21/90/872072190.db2.gz QILWSJHRNBNBPZ-UHFFFAOYSA-O 1 0 389.369 3.651 20 30 GHEDRO C[C@H](CCNC(=O)c1occc1COc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000182244310 872102536 /nfs/dbraw/zinc/10/25/36/872102536.db2.gz PYTVHLZUCDVMMR-QGZVFWFLSA-N 1 0 381.476 3.725 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000101598562 872118532 /nfs/dbraw/zinc/11/85/32/872118532.db2.gz ALEGAEKQJYHOFQ-UHFFFAOYSA-N 1 0 386.540 3.773 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc([S@@](C)=O)cc1 ZINC000526108347 872139411 /nfs/dbraw/zinc/13/94/11/872139411.db2.gz QZQDQSLTCJPNMH-LEGVOQDASA-N 1 0 383.517 3.731 20 30 GHEDRO CO[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1Cl ZINC000618966661 872191661 /nfs/dbraw/zinc/19/16/61/872191661.db2.gz YDZAMYQDHHUVHE-HXUWFJFHSA-N 1 0 395.894 3.989 20 30 GHEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478024732 872367278 /nfs/dbraw/zinc/36/72/78/872367278.db2.gz LJCHMYKBGSAZFS-YADHBBJMSA-N 1 0 382.529 3.990 20 30 GHEDRO C=CCc1cc(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)cc(OC)c1O ZINC000093770963 872409944 /nfs/dbraw/zinc/40/99/44/872409944.db2.gz BUQNVFJPKCKBEA-HNNXBMFYSA-N 1 0 386.458 3.835 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C)C2)cc(OC)c1OC ZINC000763540958 872493363 /nfs/dbraw/zinc/49/33/63/872493363.db2.gz XQRBSWFBOLTUOI-KFKAGJAMSA-N 1 0 375.509 3.890 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCC(Oc3ccc(C#N)cn3)CC1)CC2 ZINC000619465770 872661559 /nfs/dbraw/zinc/66/15/59/872661559.db2.gz ZFZCQFZBCASPRO-QLOJAFMTSA-N 1 0 393.487 3.938 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)n2c1 ZINC000478209109 872662936 /nfs/dbraw/zinc/66/29/36/872662936.db2.gz PHLCENJWXPYTEP-AWEZNQCLSA-N 1 0 386.286 3.881 20 30 GHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1)CC(C)C ZINC000619495157 872700237 /nfs/dbraw/zinc/70/02/37/872700237.db2.gz WBVWHJITQNVSBK-UHFFFAOYSA-N 1 0 391.581 3.521 20 30 GHEDRO CC[N@@H+]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000595535886 872799436 /nfs/dbraw/zinc/79/94/36/872799436.db2.gz SCTLEBXQSJHLNG-MRXNPFEDSA-N 1 0 388.581 3.633 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000527297849 872973028 /nfs/dbraw/zinc/97/30/28/872973028.db2.gz UDFPSOUAKLMSLK-ROUUACIJSA-N 1 0 393.535 3.748 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC001196311351 873004311 /nfs/dbraw/zinc/00/43/11/873004311.db2.gz GIYLODRQHZLVAN-NRFANRHFSA-N 1 0 376.529 3.950 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001196312887 873007538 /nfs/dbraw/zinc/00/75/38/873007538.db2.gz IXJRQFCHTMJYSJ-QFIPXVFZSA-N 1 0 376.529 3.996 20 30 GHEDRO CC[C@H]1CCCC[C@H]1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000464156831 873298323 /nfs/dbraw/zinc/29/83/23/873298323.db2.gz CKPIAGNINSKCML-LEWJYISDSA-N 1 0 383.536 3.646 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000448429266 873375991 /nfs/dbraw/zinc/37/59/91/873375991.db2.gz HVJNDLBVPNAVND-IBGZPJMESA-N 1 0 392.503 3.843 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541326561 873376001 /nfs/dbraw/zinc/37/60/01/873376001.db2.gz UFJWHKSCHUWFIW-NVXWUHKLSA-N 1 0 382.430 3.691 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)n2)[C@H]1c1cccs1 ZINC000443516142 873392301 /nfs/dbraw/zinc/39/23/01/873392301.db2.gz DOIPDESAERFLNG-SJCJKPOMSA-N 1 0 380.439 3.950 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3Cc4c3cccc4Cl)CC2)cc1 ZINC000527742729 873545569 /nfs/dbraw/zinc/54/55/69/873545569.db2.gz ADHXWKKAWHVSQP-FQEVSTJZSA-N 1 0 379.891 3.586 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000134128403 882747728 /nfs/dbraw/zinc/74/77/28/882747728.db2.gz CZIXCKQMKNNRAD-AYBZRNKSSA-N 1 0 381.442 3.986 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000768915915 873686668 /nfs/dbraw/zinc/68/66/68/873686668.db2.gz QQBOEJOJZWMHSW-UHFFFAOYSA-N 1 0 399.535 3.575 20 30 GHEDRO Cc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000541579999 873866356 /nfs/dbraw/zinc/86/63/56/873866356.db2.gz MUXXMIYGSOHFGC-UHFFFAOYSA-N 1 0 396.922 3.938 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000134176742 882770307 /nfs/dbraw/zinc/77/03/07/882770307.db2.gz HAGBTYFYPJHKCF-FUHWJXTLSA-N 1 0 392.425 3.587 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1c(C)nn(C)c1C ZINC000541594893 873910073 /nfs/dbraw/zinc/91/00/73/873910073.db2.gz JMYBWWUECBODBS-WBMJQRKESA-N 1 0 385.537 3.527 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000769234182 873910354 /nfs/dbraw/zinc/91/03/54/873910354.db2.gz ZCHOLEPGVMKUGJ-INIZCTEOSA-N 1 0 379.460 3.534 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c1 ZINC001197703571 873990513 /nfs/dbraw/zinc/99/05/13/873990513.db2.gz WRFMMXGOVRCMAW-NRFANRHFSA-N 1 0 376.529 3.950 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c1 ZINC001197703573 873990854 /nfs/dbraw/zinc/99/08/54/873990854.db2.gz WRFMMXGOVRCMAW-OAQYLSRUSA-N 1 0 376.529 3.950 20 30 GHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H](CO)C(C)C)sc2C1 ZINC000464504083 873991964 /nfs/dbraw/zinc/99/19/64/873991964.db2.gz ZNYKQRSXAOHNBR-RHSMWYFYSA-N 1 0 391.581 3.706 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1C#N ZINC000541648171 874016827 /nfs/dbraw/zinc/01/68/27/874016827.db2.gz BJDPPKRYSLXIKI-FUHWJXTLSA-N 1 0 386.540 3.825 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)cc1 ZINC000769500384 874108685 /nfs/dbraw/zinc/10/86/85/874108685.db2.gz YRIDSSRABQLJMA-SFHVURJKSA-N 1 0 396.453 3.712 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)COc3cccc(C#N)c3)c2)CC1 ZINC000769779181 874264837 /nfs/dbraw/zinc/26/48/37/874264837.db2.gz VLVICAVNDSOSPU-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCOCC1)c1ccccc1 ZINC000541790083 874279705 /nfs/dbraw/zinc/27/97/05/874279705.db2.gz RPGBYUMTSOCKKX-INIZCTEOSA-N 1 0 397.906 3.841 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528276118 874295842 /nfs/dbraw/zinc/29/58/42/874295842.db2.gz GUCIADKSSDMPTE-FCHUYYIVSA-N 1 0 379.479 3.781 20 30 GHEDRO N#Cc1ccc(OCC[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000769827895 874312532 /nfs/dbraw/zinc/31/25/32/874312532.db2.gz FXLXFLBITITRNG-UHFFFAOYSA-N 1 0 390.405 3.939 20 30 GHEDRO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001198309437 874371139 /nfs/dbraw/zinc/37/11/39/874371139.db2.gz JZVTWQUOPPCTJO-QFIPXVFZSA-N 1 0 385.508 3.721 20 30 GHEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC001198414445 874400305 /nfs/dbraw/zinc/40/03/05/874400305.db2.gz RTYBMFCLLDSDEJ-SFHVURJKSA-N 1 0 380.492 3.987 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464767185 874457672 /nfs/dbraw/zinc/45/76/72/874457672.db2.gz CMBBUDOSTGGLGM-JKSUJKDBSA-N 1 0 388.581 3.632 20 30 GHEDRO Cc1ccc(CC[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H]2CCCO2)cc1 ZINC000464773265 874466767 /nfs/dbraw/zinc/46/67/67/874466767.db2.gz GOFOIQYCIPDCPS-HXUWFJFHSA-N 1 0 397.544 3.981 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464840878 874611405 /nfs/dbraw/zinc/61/14/05/874611405.db2.gz WEITUKNOFKHLIV-IBGZPJMESA-N 1 0 379.504 3.542 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001198791168 874614352 /nfs/dbraw/zinc/61/43/52/874614352.db2.gz SFHSDRQFPDONJL-OZOXKJRCSA-N 1 0 387.549 3.768 20 30 GHEDRO C=CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)CC1 ZINC000528520773 874663563 /nfs/dbraw/zinc/66/35/63/874663563.db2.gz MWVTTWCCHVKDII-XZOQPEGZSA-N 1 0 375.516 3.722 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000528522540 874665710 /nfs/dbraw/zinc/66/57/10/874665710.db2.gz AJNLOWGUSJQAPI-GOSISDBHSA-N 1 0 397.544 3.513 20 30 GHEDRO Cc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541983722 874703586 /nfs/dbraw/zinc/70/35/86/874703586.db2.gz RJABJOSKLZQXQX-LJQANCHMSA-N 1 0 397.544 3.849 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1OCC ZINC000449428499 874846669 /nfs/dbraw/zinc/84/66/69/874846669.db2.gz RMWDFJTZROIEMT-HIFRSBDPSA-N 1 0 384.314 3.663 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000528661592 874848637 /nfs/dbraw/zinc/84/86/37/874848637.db2.gz VPQCYFLIIUVQJN-ORAYPTAESA-N 1 0 380.517 3.961 20 30 GHEDRO CCOc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1OCC(=O)N1CCCCC1 ZINC000449445623 874867038 /nfs/dbraw/zinc/86/70/38/874867038.db2.gz KTANXLFEDFBRDO-ICSRJNTNSA-N 1 0 399.535 3.649 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1Cl ZINC000528673799 874868244 /nfs/dbraw/zinc/86/82/44/874868244.db2.gz YDMWRCGBENBEBJ-SFHVURJKSA-N 1 0 398.894 3.625 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000770800829 874877090 /nfs/dbraw/zinc/87/70/90/874877090.db2.gz ASGHFQYJEMXYFN-ZDUSSCGKSA-N 1 0 378.444 3.979 20 30 GHEDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000804459764 882875935 /nfs/dbraw/zinc/87/59/35/882875935.db2.gz CZIQOOWBJDJTKG-IBGZPJMESA-N 1 0 378.472 3.739 20 30 GHEDRO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778896 875052255 /nfs/dbraw/zinc/05/22/55/875052255.db2.gz PBUDRHLQLCSZFZ-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO N#Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001199679755 875123650 /nfs/dbraw/zinc/12/36/50/875123650.db2.gz IPKJHGGJHRNDID-JOCHJYFZSA-N 1 0 384.483 3.803 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c(-c2ccccc2)n1 ZINC000449615424 875155696 /nfs/dbraw/zinc/15/56/96/875155696.db2.gz LSKXWVNHVPGYDU-IFMALSPDSA-N 1 0 387.487 3.869 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)cn2)c1 ZINC000528912522 875254437 /nfs/dbraw/zinc/25/44/37/875254437.db2.gz JAOGWEXKQNPPKL-LJQANCHMSA-N 1 0 391.475 3.884 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465189459 875273751 /nfs/dbraw/zinc/27/37/51/875273751.db2.gz VUXFGMDUTGMWAX-ROUUACIJSA-N 1 0 393.487 3.685 20 30 GHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2ccccc2)c1 ZINC000105391707 875280910 /nfs/dbraw/zinc/28/09/10/875280910.db2.gz QYPUMZAQINSNIW-UHFFFAOYSA-O 1 0 395.460 3.713 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000465222130 875316663 /nfs/dbraw/zinc/31/66/63/875316663.db2.gz IUPXNFYPSSVJID-HNNXBMFYSA-N 1 0 384.442 3.978 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449736500 875322387 /nfs/dbraw/zinc/32/23/87/875322387.db2.gz NGZUXOCKWOPELH-AWEZNQCLSA-N 1 0 394.450 3.553 20 30 GHEDRO CC(C)CC[N@H+](CCC#N)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604698 875347553 /nfs/dbraw/zinc/34/75/53/875347553.db2.gz FCZFDDVZWQTUQQ-UHFFFAOYSA-N 1 0 376.298 3.983 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(OCC#N)cc1 ZINC000776170062 875688236 /nfs/dbraw/zinc/68/82/36/875688236.db2.gz IGBVQALLCWISBZ-DZGCQCFKSA-N 1 0 387.842 3.838 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H](SCC)C2)c(OC)c1 ZINC000303499190 875711288 /nfs/dbraw/zinc/71/12/88/875711288.db2.gz YDGIVIPSMPBYDC-OALUTQOASA-N 1 0 379.566 3.771 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C/C(Br)=C/c3ccccc3)C2)C1=O ZINC001201450923 875712453 /nfs/dbraw/zinc/71/24/53/875712453.db2.gz BPNZSEITVGQRNM-BKHFDQEPSA-N 1 0 389.337 3.923 20 30 GHEDRO C=CCOc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000491523461 875778109 /nfs/dbraw/zinc/77/81/09/875778109.db2.gz FECRCNKWZDCOEZ-FQEVSTJZSA-N 1 0 379.504 3.938 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC001201605084 875781523 /nfs/dbraw/zinc/78/15/23/875781523.db2.gz WASGWWXBWWKTST-XMMPIXPASA-N 1 0 375.516 3.720 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000772226890 875785362 /nfs/dbraw/zinc/78/53/62/875785362.db2.gz RLWVTXBQXIWJMF-CPJSRVTESA-N 1 0 386.539 3.937 20 30 GHEDRO COCc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1C#N ZINC000529214804 875841463 /nfs/dbraw/zinc/84/14/63/875841463.db2.gz ZLPYCYKDPNHWIH-UHFFFAOYSA-N 1 0 392.503 3.833 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@H]21 ZINC001201813616 875872426 /nfs/dbraw/zinc/87/24/26/875872426.db2.gz HGVRKKNTJKKMSE-NJDAHSKKSA-N 1 0 380.573 3.608 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 ZINC000152326902 876007486 /nfs/dbraw/zinc/00/74/86/876007486.db2.gz AVFTVOKTQCZUAG-AVRDEDQJSA-N 1 0 390.531 3.767 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C ZINC000772661679 876055200 /nfs/dbraw/zinc/05/52/00/876055200.db2.gz XCHGCYZTEZWWCD-INIZCTEOSA-N 1 0 391.393 3.658 20 30 GHEDRO CC(C)[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000030477106 876084870 /nfs/dbraw/zinc/08/48/70/876084870.db2.gz QBNBOJQROCBIPE-XMSQKQJNSA-N 1 0 391.515 3.525 20 30 GHEDRO CC(C)[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000030477107 876085138 /nfs/dbraw/zinc/08/51/38/876085138.db2.gz QBNBOJQROCBIPE-GCJKJVERSA-N 1 0 391.515 3.525 20 30 GHEDRO N#Cc1cc(Br)cnc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000450219558 876103036 /nfs/dbraw/zinc/10/30/36/876103036.db2.gz YFWUYDYDYGNJEI-HNNXBMFYSA-N 1 0 375.270 3.948 20 30 GHEDRO CCc1ccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccc(CC)cc2)cc1 ZINC000151917050 876110302 /nfs/dbraw/zinc/11/03/02/876110302.db2.gz HPHOMVSWHQEKJU-UHFFFAOYSA-O 1 0 393.536 3.883 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000030511068 876135663 /nfs/dbraw/zinc/13/56/63/876135663.db2.gz ALFYIFLEVFGAJP-QGZVFWFLSA-N 1 0 389.455 3.985 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000785615574 876149976 /nfs/dbraw/zinc/14/99/76/876149976.db2.gz PUTOESPWOQPFTA-LJQANCHMSA-N 1 0 384.842 3.574 20 30 GHEDRO COc1ccccc1[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000450267675 876190008 /nfs/dbraw/zinc/19/00/08/876190008.db2.gz XIYXUUADXOJWFQ-SFHVURJKSA-N 1 0 381.436 3.509 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000186818042 876274147 /nfs/dbraw/zinc/27/41/47/876274147.db2.gz BRXCSTQQUHSHTL-NOTZXAQLSA-N 1 0 385.511 3.902 20 30 GHEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000858333359 883034318 /nfs/dbraw/zinc/03/43/18/883034318.db2.gz DGGQXYQLFACSBT-FQEVSTJZSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](O)c3cccc4ccccc43)CC2)cc1 ZINC000850360229 876850105 /nfs/dbraw/zinc/85/01/05/876850105.db2.gz DODYFTJMQFJVTK-RUZDIDTESA-N 1 0 385.511 3.999 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000450783239 876886656 /nfs/dbraw/zinc/88/66/56/876886656.db2.gz BHEWUJNUFPUPEE-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000786840711 877006460 /nfs/dbraw/zinc/00/64/60/877006460.db2.gz LWIPWMUXBDLNQY-QFIPXVFZSA-N 1 0 398.453 3.648 20 30 GHEDRO CC[C@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)cc1 ZINC000850542471 877011551 /nfs/dbraw/zinc/01/15/51/877011551.db2.gz PHZAZCXLTCFYPU-MOPGFXCFSA-N 1 0 385.508 3.767 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000262687450 877016257 /nfs/dbraw/zinc/01/62/57/877016257.db2.gz AYWALILMKGWUOG-BMIGLBTASA-N 1 0 379.810 3.559 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443959314 877085914 /nfs/dbraw/zinc/08/59/14/877085914.db2.gz HTUDTSVSVIQGKE-GHTZIAJQSA-N 1 0 397.544 3.713 20 30 GHEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N[C@H]1CCOc2ccccc21 ZINC000262697087 877285061 /nfs/dbraw/zinc/28/50/61/877285061.db2.gz FEFDZIUDZAECOE-YESZJQIVSA-N 1 0 386.293 3.733 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@H]1c1ccccc1 ZINC000746674050 877326285 /nfs/dbraw/zinc/32/62/85/877326285.db2.gz MRRMISWDGIVCOO-AZUAARDMSA-N 1 0 386.499 3.936 20 30 GHEDRO Cc1cc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)ccc1C#N ZINC000443990825 877403288 /nfs/dbraw/zinc/40/32/88/877403288.db2.gz RZVURRFYNVANGR-GOSISDBHSA-N 1 0 389.377 3.660 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000610133125 877448224 /nfs/dbraw/zinc/44/82/24/877448224.db2.gz SHCUUFSTFAXHAC-GOSISDBHSA-N 1 0 380.444 3.554 20 30 GHEDRO C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000610162776 877466728 /nfs/dbraw/zinc/46/67/28/877466728.db2.gz YDOLFZQUVJHQBD-UGKGYDQZSA-N 1 0 387.487 3.549 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000451153788 877469186 /nfs/dbraw/zinc/46/91/86/877469186.db2.gz IVQBXCVBUKWCQQ-HXUWFJFHSA-N 1 0 397.563 3.956 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)C(C)C ZINC001183091434 912247967 /nfs/dbraw/zinc/24/79/67/912247967.db2.gz GJAGFZGNKRTLRV-NRFANRHFSA-N 1 0 379.504 3.571 20 30 GHEDRO C#Cc1ccc(CNC(=O)CCC[N@@H+](CC)[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC001183059133 912253437 /nfs/dbraw/zinc/25/34/37/912253437.db2.gz VDQNRHFLJZMEGB-IBGZPJMESA-N 1 0 378.516 3.723 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(C(=O)Nc4ccc(F)cc4)cc3)n2c1 ZINC000152349812 877654974 /nfs/dbraw/zinc/65/49/74/877654974.db2.gz KIQNGIGJZYJKFV-UHFFFAOYSA-N 1 0 399.429 3.887 20 30 GHEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000451248158 877659950 /nfs/dbraw/zinc/65/99/50/877659950.db2.gz NOMZGXWCFHVODV-WCQYABFASA-N 1 0 378.822 3.993 20 30 GHEDRO N#Cc1cccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000451317624 877766769 /nfs/dbraw/zinc/76/67/69/877766769.db2.gz CXONBLWOQRWCSA-MRXNPFEDSA-N 1 0 398.304 3.573 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnn(-c4ccccc4)c3)C2)c(F)c1 ZINC000237715295 877855273 /nfs/dbraw/zinc/85/52/73/877855273.db2.gz MPAYWNZGGMZWBZ-IBGZPJMESA-N 1 0 375.451 3.642 20 30 GHEDRO COc1ccc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1C#N ZINC000746727604 877863890 /nfs/dbraw/zinc/86/38/90/877863890.db2.gz DLNLSEVBZREGMA-QGZVFWFLSA-N 1 0 392.503 3.592 20 30 GHEDRO C#CCC1(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000788172533 877895816 /nfs/dbraw/zinc/89/58/16/877895816.db2.gz YZLHOEMUIYSVAL-UHFFFAOYSA-N 1 0 395.591 3.674 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000451477675 877990918 /nfs/dbraw/zinc/99/09/18/877990918.db2.gz IDSRZYWOMVQDOA-ZYSHUDEJSA-N 1 0 387.549 3.814 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000237799191 878049549 /nfs/dbraw/zinc/04/95/49/878049549.db2.gz IDZKYCZADTUGLB-UHFFFAOYSA-N 1 0 395.478 3.903 20 30 GHEDRO CC(C)[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1ccccc1 ZINC000788620062 878215558 /nfs/dbraw/zinc/21/55/58/878215558.db2.gz GXUANCAAHOHBHL-ZEQRLZLVSA-N 1 0 377.532 3.870 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000245640433 878264373 /nfs/dbraw/zinc/26/43/73/878264373.db2.gz KJNLBSREUNJHBP-PZJWPPBQSA-N 1 0 391.515 3.682 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)CC1 ZINC000176499501 878284616 /nfs/dbraw/zinc/28/46/16/878284616.db2.gz VHLYSNJFSJAWAL-QHCPKHFHSA-N 1 0 399.579 3.769 20 30 GHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C#N)c1Br)c1ccco1 ZINC000451673090 878293076 /nfs/dbraw/zinc/29/30/76/878293076.db2.gz KEXFDOQYGXSSFA-DOMZBBRYSA-N 1 0 390.281 3.773 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000451684909 878338081 /nfs/dbraw/zinc/33/80/81/878338081.db2.gz WOQYXNPFJOSXDT-URVUXULASA-N 1 0 384.907 3.869 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000788784398 878343222 /nfs/dbraw/zinc/34/32/22/878343222.db2.gz XNFUXVMYIGONDG-QFIPXVFZSA-N 1 0 394.515 3.752 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473128 878351701 /nfs/dbraw/zinc/35/17/01/878351701.db2.gz JIYDIWWJIYTEFC-ROUUACIJSA-N 1 0 379.426 3.714 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCCC[C@@H]12 ZINC000852494631 878374614 /nfs/dbraw/zinc/37/46/14/878374614.db2.gz DWXJWHFFWXKLBD-RCCFBDPRSA-N 1 0 376.884 3.796 20 30 GHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCCOc3cccc(C#N)c3)ccc2NC1=O ZINC000180021296 878378442 /nfs/dbraw/zinc/37/84/42/878378442.db2.gz GYRVPLOBQMZLJF-MGPUTAFESA-N 1 0 379.460 3.787 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000852562071 878426024 /nfs/dbraw/zinc/42/60/24/878426024.db2.gz AUMIUGFQGQWJJB-SFHVURJKSA-N 1 0 399.535 3.801 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001275119951 912358539 /nfs/dbraw/zinc/35/85/39/912358539.db2.gz ZDORMULUMOCLOT-GOSISDBHSA-N 1 0 378.479 3.993 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460792754 878572777 /nfs/dbraw/zinc/57/27/77/878572777.db2.gz JJAMPMSXPKVEJA-UHFFFAOYSA-N 1 0 397.567 3.764 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC001170096663 878577363 /nfs/dbraw/zinc/57/73/63/878577363.db2.gz YVGGGLUEXBVACT-CRAIPNDOSA-N 1 0 392.421 3.880 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CC[NH+](CC)CC1 ZINC000460803534 878596393 /nfs/dbraw/zinc/59/63/93/878596393.db2.gz GFIGKEOPBRPUHW-UHFFFAOYSA-N 1 0 375.520 3.740 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccccc2CN2CCCC2=O)c1 ZINC000238055843 878648780 /nfs/dbraw/zinc/64/87/80/878648780.db2.gz RVHGAEBIFPUORU-UHFFFAOYSA-N 1 0 377.488 3.781 20 30 GHEDRO CCCCCCCCCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852931109 878659990 /nfs/dbraw/zinc/65/99/90/878659990.db2.gz TZWYYHGOSCQGBX-IBGZPJMESA-N 1 0 389.588 3.666 20 30 GHEDRO CC(C)(O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000180231401 878671170 /nfs/dbraw/zinc/67/11/70/878671170.db2.gz OOGDWPOUUXLIGD-UHFFFAOYSA-N 1 0 397.544 3.710 20 30 GHEDRO C#Cc1cccc(NC(=O)C(=O)NCc2cccc(C[N@@H+](CC)CCCC)c2)c1 ZINC000180241699 878689053 /nfs/dbraw/zinc/68/90/53/878689053.db2.gz KIRQHELXHFXTBF-UHFFFAOYSA-N 1 0 391.515 3.545 20 30 GHEDRO C#C[C@@H]([NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C)C1CCOCC1 ZINC000853115013 878822366 /nfs/dbraw/zinc/82/23/66/878822366.db2.gz CEDCRSVBXMPJFF-FXAWDEMLSA-N 1 0 379.928 3.530 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460928286 878833339 /nfs/dbraw/zinc/83/33/39/878833339.db2.gz ALZATHYFOMIRCJ-LPHOPBHVSA-N 1 0 398.511 3.596 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1c1ccccc1 ZINC000452001067 878833590 /nfs/dbraw/zinc/83/35/90/878833590.db2.gz FIBRFACKGQWZSD-ROUUACIJSA-N 1 0 386.398 3.548 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1F ZINC000452023526 878844007 /nfs/dbraw/zinc/84/40/07/878844007.db2.gz NPULNIBIYYPVTD-PKOBYXMFSA-N 1 0 377.385 3.817 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460965227 878877030 /nfs/dbraw/zinc/87/70/30/878877030.db2.gz YGHTXOMZESSAMF-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000538128061 878902882 /nfs/dbraw/zinc/90/28/82/878902882.db2.gz DGWKMQOWNCLCGR-OAHLLOKOSA-N 1 0 390.405 3.533 20 30 GHEDRO Cc1sc2ncn(N=CC3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1C ZINC000853268073 878944427 /nfs/dbraw/zinc/94/44/27/878944427.db2.gz NKTCHZNHJDXMQS-UHFFFAOYSA-N 1 0 380.517 3.821 20 30 GHEDRO CC(C)COc1ccc(C(C)(C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000538217087 879032532 /nfs/dbraw/zinc/03/25/32/879032532.db2.gz ZLQBSJBLLXQPQE-FQEVSTJZSA-N 1 0 382.504 3.858 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000093740642 912413322 /nfs/dbraw/zinc/41/33/22/912413322.db2.gz NCAXFIQVMDNYKW-UHFFFAOYSA-N 1 0 376.456 3.604 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NCCc2cccnc2)cc1 ZINC000068866255 879111808 /nfs/dbraw/zinc/11/18/08/879111808.db2.gz OLMMXXSGZKKKQE-UHFFFAOYSA-O 1 0 390.532 3.757 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)C[C@H]2CC2(C)C)c1=S ZINC000853627248 879184737 /nfs/dbraw/zinc/18/47/37/879184737.db2.gz RYIQXCUJJCRCHE-QGZVFWFLSA-N 1 0 377.602 3.564 20 30 GHEDRO CCCCCCCCOc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000789768593 879248806 /nfs/dbraw/zinc/24/88/06/879248806.db2.gz JQJQVVXZPIXFIL-JOCHJYFZSA-N 1 0 387.524 3.600 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000152548525 879379752 /nfs/dbraw/zinc/37/97/52/879379752.db2.gz RZQIHWXQIXYIBG-KSSFIOAISA-N 1 0 390.409 3.718 20 30 GHEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CC(=O)Nc1sccc1C#N ZINC000538389631 879404694 /nfs/dbraw/zinc/40/46/94/879404694.db2.gz IYQYUMPFHSQGBF-INIZCTEOSA-N 1 0 375.469 3.781 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000538393406 879412777 /nfs/dbraw/zinc/41/27/77/879412777.db2.gz XOHPGBYMQWXAAL-OAHLLOKOSA-N 1 0 397.350 3.514 20 30 GHEDRO C=CCc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000031333923 879471718 /nfs/dbraw/zinc/47/17/18/879471718.db2.gz DSFNAAISQNIPOX-UHFFFAOYSA-N 1 0 394.515 3.827 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000466985388 879649762 /nfs/dbraw/zinc/64/97/62/879649762.db2.gz KUQCWLJVKGVVDD-UHFFFAOYSA-N 1 0 387.487 3.516 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000854314547 879714879 /nfs/dbraw/zinc/71/48/79/879714879.db2.gz PIRVXXRRWRXJOS-KRWDZBQOSA-N 1 0 379.464 3.740 20 30 GHEDRO C=CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H](C)COC ZINC000667113092 879768310 /nfs/dbraw/zinc/76/83/10/879768310.db2.gz CATXKSCMBFPCFW-TZIWHRDSSA-N 1 0 385.552 3.521 20 30 GHEDRO C=CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H](C)COC ZINC000667113089 879768349 /nfs/dbraw/zinc/76/83/49/879768349.db2.gz CATXKSCMBFPCFW-CTNGQTDRSA-N 1 0 385.552 3.521 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000265967429 879809837 /nfs/dbraw/zinc/80/98/37/879809837.db2.gz KFEUNFPCOLZDIH-LPHOPBHVSA-O 1 0 399.584 3.767 20 30 GHEDRO N#Cc1cccc(C2(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)CC2)c1 ZINC000461440348 879816823 /nfs/dbraw/zinc/81/68/23/879816823.db2.gz XURRIAXOMGCUKP-FCHUYYIVSA-N 1 0 385.511 3.570 20 30 GHEDRO N#Cc1ccc(OCC[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000538663914 879910164 /nfs/dbraw/zinc/91/01/64/879910164.db2.gz JASUAAXBECFRKI-IBGZPJMESA-N 1 0 379.508 3.982 20 30 GHEDRO C#CCSCC[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000152924284 879959189 /nfs/dbraw/zinc/95/91/89/879959189.db2.gz WYWLXCLXCCLOCM-UHFFFAOYSA-N 1 0 380.254 3.515 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2C[C@H]3CCC[C@@H]3C2)c1C#N ZINC000152940164 879985875 /nfs/dbraw/zinc/98/58/75/879985875.db2.gz JTUXPDCXJVTPLE-QZTJIDSGSA-N 1 0 380.492 3.678 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccco1 ZINC000285967125 912518319 /nfs/dbraw/zinc/51/83/19/912518319.db2.gz GXZHWFBSXUILJA-NRFANRHFSA-N 1 0 397.519 3.738 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984581 880256093 /nfs/dbraw/zinc/25/60/93/880256093.db2.gz BREFFVUPVOMMAK-AZUAARDMSA-N 1 0 398.466 3.767 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)ccc1OC ZINC000113211560 880408586 /nfs/dbraw/zinc/40/85/86/880408586.db2.gz PFEZSMZOLQXPDZ-KNQAVFIVSA-N 1 0 395.503 3.685 20 30 GHEDRO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000855304872 880423005 /nfs/dbraw/zinc/42/30/05/880423005.db2.gz OTEJACOZMUCZDH-URXFXBBRSA-N 1 0 388.515 3.520 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000113357921 880521882 /nfs/dbraw/zinc/52/18/82/880521882.db2.gz QOWBGBCARRJCTO-QGZVFWFLSA-N 1 0 382.479 3.650 20 30 GHEDRO C[C@@H](c1ccncc1)N1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286126950 912579827 /nfs/dbraw/zinc/57/98/27/912579827.db2.gz NVQWPHGLTCHTSN-IBGZPJMESA-N 1 0 389.547 3.737 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000453415578 880880515 /nfs/dbraw/zinc/88/05/15/880880515.db2.gz SDPZHUUDGROUNP-UFYCRDLUSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(N2CCC[N@H+](CC3CCCCC3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453442334 880905602 /nfs/dbraw/zinc/90/56/02/880905602.db2.gz PFXCYUUMCUJNKU-QFIPXVFZSA-N 1 0 387.572 3.582 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(O)=C(C#N)c3nccc4ccccc43)cc2)CC1 ZINC000792093461 880922890 /nfs/dbraw/zinc/92/28/90/880922890.db2.gz JDKNHGZJAZIVLR-QFIPXVFZSA-N 1 0 384.483 3.867 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000453425555 880924349 /nfs/dbraw/zinc/92/43/49/880924349.db2.gz NJOHPUQFHIKAIR-QGZVFWFLSA-N 1 0 383.515 3.505 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453425436 880924438 /nfs/dbraw/zinc/92/44/38/880924438.db2.gz MQNIUKZYXCXFMP-GIVPXCGWSA-N 1 0 395.551 3.977 20 30 GHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453453510 880943128 /nfs/dbraw/zinc/94/31/28/880943128.db2.gz VSCOAZJLXMUDCZ-UHFFFAOYSA-N 1 0 391.466 3.653 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453460901 880960450 /nfs/dbraw/zinc/96/04/50/880960450.db2.gz DYMJCYUBWXSADJ-NHCUHLMSSA-N 1 0 395.551 3.807 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)cc1 ZINC000792185390 880973043 /nfs/dbraw/zinc/97/30/43/880973043.db2.gz DNOCWWARYXWFLR-DEOSSOPVSA-N 1 0 389.499 3.651 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000453448031 881001490 /nfs/dbraw/zinc/00/14/90/881001490.db2.gz BXUPAPZUBVWDMZ-KRWDZBQOSA-N 1 0 385.581 3.817 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000532032930 881005247 /nfs/dbraw/zinc/00/52/47/881005247.db2.gz JEIPLHWAYCLTCT-FDDCHVKYSA-N 1 0 379.504 3.691 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000532032933 881005471 /nfs/dbraw/zinc/00/54/71/881005471.db2.gz JEIPLHWAYCLTCT-WZONZLPQSA-N 1 0 379.504 3.691 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000113966703 881017170 /nfs/dbraw/zinc/01/71/70/881017170.db2.gz BOBJZTLPOJAGDP-HXUWFJFHSA-N 1 0 386.540 3.821 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000113980270 881021300 /nfs/dbraw/zinc/02/13/00/881021300.db2.gz QVNGVANGEHVQBD-PZJWPPBQSA-N 1 0 398.482 3.609 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000113981186 881022269 /nfs/dbraw/zinc/02/22/69/881022269.db2.gz JAHWNUJDHBWQCF-WMZOPIPTSA-N 1 0 386.521 3.531 20 30 GHEDRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(OCC#N)cc2)cn1 ZINC000792365312 881058813 /nfs/dbraw/zinc/05/88/13/881058813.db2.gz NCOZWSGDLOPAGG-HSZRJFAPSA-N 1 0 390.487 3.541 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453602289 881126468 /nfs/dbraw/zinc/12/64/68/881126468.db2.gz IVDYDYNQDHBJFV-OAQYLSRUSA-N 1 0 395.478 3.528 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001170193073 881202151 /nfs/dbraw/zinc/20/21/51/881202151.db2.gz DQVPCGJASNETRL-KRWDZBQOSA-N 1 0 377.271 3.884 20 30 GHEDRO C#Cc1ccc(-c2nc(-c3ccc(OCC[NH+](CC)CC)c(OC)c3)no2)nc1 ZINC000761664179 883149749 /nfs/dbraw/zinc/14/97/49/883149749.db2.gz GJXDYEWMLJLXHN-UHFFFAOYSA-N 1 0 392.459 3.509 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)c2ccc(C#N)cc2)CC1 ZINC000858565323 883201965 /nfs/dbraw/zinc/20/19/65/883201965.db2.gz MJLINAAJLDHNJV-UHFFFAOYSA-N 1 0 375.516 3.925 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000064361357 883205253 /nfs/dbraw/zinc/20/52/53/883205253.db2.gz GMGFRAAQSSEVTK-UHFFFAOYSA-N 1 0 388.899 3.622 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747212597 883323814 /nfs/dbraw/zinc/32/38/14/883323814.db2.gz KXEVHUCVPWBSTO-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135398856 883334982 /nfs/dbraw/zinc/33/49/82/883334982.db2.gz DZDUJSXPPKLSRV-VMDGZTHMSA-N 1 0 379.426 3.897 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000609632194 883489957 /nfs/dbraw/zinc/48/99/57/883489957.db2.gz VNQNZRSTGRSBHX-GOSISDBHSA-N 1 0 397.544 3.720 20 30 GHEDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000609637036 883493414 /nfs/dbraw/zinc/49/34/14/883493414.db2.gz JKPZCEJCAYYGFA-VXKWHMMOSA-N 1 0 391.515 3.874 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[NH+](C4CCCC4)CC3)c2)c1 ZINC000609659921 883500950 /nfs/dbraw/zinc/50/09/50/883500950.db2.gz WFPLCOVRIUIFGO-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000805014172 883532337 /nfs/dbraw/zinc/53/23/37/883532337.db2.gz SBHXHRLAPKPOAY-ZEQRLZLVSA-N 1 0 389.543 3.832 20 30 GHEDRO C=C(C)[C@@H](NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(F)c(F)c1 ZINC000476998553 883537113 /nfs/dbraw/zinc/53/71/13/883537113.db2.gz UGIYOJQHHJEAAZ-LJQANCHMSA-N 1 0 395.494 3.771 20 30 GHEDRO C[C@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCOC1(C)C ZINC000476982711 883538213 /nfs/dbraw/zinc/53/82/13/883538213.db2.gz JGOFNPYPDSOGSI-CQSZACIVSA-N 1 0 375.538 3.717 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000477028732 883589017 /nfs/dbraw/zinc/58/90/17/883589017.db2.gz YVQPUIVUYVLTEU-UHFFFAOYSA-N 1 0 379.504 3.700 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000475776835 883649577 /nfs/dbraw/zinc/64/95/77/883649577.db2.gz SXWBBLQGMNNPSI-QGZVFWFLSA-N 1 0 377.554 3.509 20 30 GHEDRO C[C@@H]1SCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000609826735 883700121 /nfs/dbraw/zinc/70/01/21/883700121.db2.gz VGJMDHINEJZKMS-WEYGHZABSA-N 1 0 382.529 3.671 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000136170815 883724421 /nfs/dbraw/zinc/72/44/21/883724421.db2.gz GMFCXHUOQKYPLU-IRLDBZIGSA-N 1 0 394.494 3.869 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)/C=C\c2ccccc2C#N)[NH+](C)C)cc1 ZINC000805274725 883731425 /nfs/dbraw/zinc/73/14/25/883731425.db2.gz CSBLSQVQHIASAX-FAXUNHAKSA-N 1 0 377.488 3.778 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCc3ccccc3OC3CCCC3)CC2)c1 ZINC000551401745 883817051 /nfs/dbraw/zinc/81/70/51/883817051.db2.gz OVCWMNFRQMYJHW-UHFFFAOYSA-N 1 0 389.499 3.775 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1C(F)(F)F ZINC000859605019 883929053 /nfs/dbraw/zinc/92/90/53/883929053.db2.gz AUHVOWXTWPUXGN-YJNKXOJESA-N 1 0 375.435 3.704 20 30 GHEDRO O=C1C=COC2(CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000897599781 883992901 /nfs/dbraw/zinc/99/29/01/883992901.db2.gz VVIUCEPQAJYRNM-UHFFFAOYSA-N 1 0 391.393 3.933 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000612101916 884005986 /nfs/dbraw/zinc/00/59/86/884005986.db2.gz YLIDZYJSYUFOPB-DNVFCKCGSA-N 1 0 382.552 4.000 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000805776685 884057188 /nfs/dbraw/zinc/05/71/88/884057188.db2.gz VJIZGIVCVRCVSG-HOTGVXAUSA-N 1 0 379.888 3.817 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000805765485 884094029 /nfs/dbraw/zinc/09/40/29/884094029.db2.gz UKRFEGMEDJWOPY-SFHVURJKSA-N 1 0 379.545 3.856 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1OC ZINC000918653234 884094481 /nfs/dbraw/zinc/09/44/81/884094481.db2.gz GTXKYVZUILRHBQ-NBSXQYNISA-N 1 0 398.478 3.831 20 30 GHEDRO C[C@H](NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000487805931 884103063 /nfs/dbraw/zinc/10/30/63/884103063.db2.gz WLJXZHJTQULKDP-FDDCHVKYSA-N 1 0 376.504 3.973 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000805821002 884134049 /nfs/dbraw/zinc/13/40/49/884134049.db2.gz BNBKGZLFZUBXLC-NRFANRHFSA-N 1 0 399.922 3.917 20 30 GHEDRO COc1cc(C#N)ccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1 ZINC000860038884 884281151 /nfs/dbraw/zinc/28/11/51/884281151.db2.gz XTGAZVRTOMAORN-LEAZDLGRSA-N 1 0 397.519 3.644 20 30 GHEDRO C=CCCOCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000494967177 884300936 /nfs/dbraw/zinc/30/09/36/884300936.db2.gz GFXNYJBWCWKUON-JOCHJYFZSA-N 1 0 387.545 3.979 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000476242990 884314029 /nfs/dbraw/zinc/31/40/29/884314029.db2.gz VRSYCDSTJJYDHJ-FQEVSTJZSA-N 1 0 377.488 3.821 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000495061748 884478763 /nfs/dbraw/zinc/47/87/63/884478763.db2.gz DFVSIAXJXSZYCK-GCJKJVERSA-N 1 0 387.545 3.571 20 30 GHEDRO CC(C)(C)NC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccccc1 ZINC000286627026 912832504 /nfs/dbraw/zinc/83/25/04/912832504.db2.gz WFEVWOMFLACMGY-UHFFFAOYSA-O 1 0 382.431 3.715 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000610446366 884591756 /nfs/dbraw/zinc/59/17/56/884591756.db2.gz UYZXTAHTZIMXSS-LJQANCHMSA-N 1 0 393.556 3.914 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC(C)C ZINC000127612745 884719539 /nfs/dbraw/zinc/71/95/39/884719539.db2.gz BITBILFBLMSZRI-SJORKVTESA-N 1 0 387.524 3.864 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001183889598 912875406 /nfs/dbraw/zinc/87/54/06/912875406.db2.gz OLNHFCHKYRTWQT-UHFFFAOYSA-N 1 0 378.520 3.756 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000498597419 884984745 /nfs/dbraw/zinc/98/47/45/884984745.db2.gz HDZHMCHCQKDNOG-OAQYLSRUSA-N 1 0 379.529 3.572 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981591 885083646 /nfs/dbraw/zinc/08/36/46/885083646.db2.gz HQPDYOVQXHVXGK-OSICKASQSA-N 1 0 395.890 3.711 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460374544 885097128 /nfs/dbraw/zinc/09/71/28/885097128.db2.gz IGXSDNQKXACJHV-FQEVSTJZSA-N 1 0 395.551 3.723 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000609293753 885200752 /nfs/dbraw/zinc/20/07/52/885200752.db2.gz XVSWJRNHXPFZEP-UHFFFAOYSA-N 1 0 377.448 3.517 20 30 GHEDRO COc1cccc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000194878101 885294371 /nfs/dbraw/zinc/29/43/71/885294371.db2.gz PKKXCBLHXGMOFW-JOCHJYFZSA-N 1 0 375.472 3.552 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000054443604 885326882 /nfs/dbraw/zinc/32/68/82/885326882.db2.gz XOPZWSVTDIYVEE-UTKZUKDTSA-N 1 0 392.503 3.559 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC(C)(C)C[C@H](C)O ZINC000925463809 885412324 /nfs/dbraw/zinc/41/23/24/885412324.db2.gz QDEQSTOXWTYVNI-SJORKVTESA-N 1 0 381.561 3.693 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccccc2OCc2ccccc2)CC1 ZINC000107597102 885412289 /nfs/dbraw/zinc/41/22/89/885412289.db2.gz WLGUCLXSHPIVAT-UHFFFAOYSA-N 1 0 394.515 3.801 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000807466423 885460401 /nfs/dbraw/zinc/46/04/01/885460401.db2.gz WAJMZDMBMNYRFD-FQEVSTJZSA-N 1 0 399.485 3.673 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000747405078 885542486 /nfs/dbraw/zinc/54/24/86/885542486.db2.gz UDWKBXMAZOQVMN-JOCHJYFZSA-N 1 0 398.453 3.689 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104702201 885569548 /nfs/dbraw/zinc/56/95/48/885569548.db2.gz AIFWJSLJILLEDV-QFIPXVFZSA-N 1 0 385.471 3.813 20 30 GHEDRO CCCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000194950297 885900843 /nfs/dbraw/zinc/90/08/43/885900843.db2.gz KAYUCLFAAPXYCS-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1=S ZINC000808192216 886090470 /nfs/dbraw/zinc/09/04/70/886090470.db2.gz RCTBZFYMGCDKQC-PKOBYXMFSA-N 1 0 398.580 3.568 20 30 GHEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000532586975 886190389 /nfs/dbraw/zinc/19/03/89/886190389.db2.gz YAZJYNCVPSLVCN-SFHVURJKSA-N 1 0 387.487 3.992 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000762481030 886272309 /nfs/dbraw/zinc/27/23/09/886272309.db2.gz NONYZZAXQCJJMS-YLJYHZDGSA-N 1 0 386.540 3.772 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000915320397 886336365 /nfs/dbraw/zinc/33/63/65/886336365.db2.gz WNIAABCZGXBRME-QGZVFWFLSA-N 1 0 377.492 3.583 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000556865651 886380348 /nfs/dbraw/zinc/38/03/48/886380348.db2.gz SYGLZBQQLGZZSV-VNCLNFNDSA-N 1 0 391.471 3.930 20 30 GHEDRO N#CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000919805514 886383404 /nfs/dbraw/zinc/38/34/04/886383404.db2.gz WSJZWLYHTWQRGT-LJQANCHMSA-N 1 0 383.879 3.809 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cc1 ZINC000862481820 886400196 /nfs/dbraw/zinc/40/01/96/886400196.db2.gz MDDOOWNHYJYHNA-HXOBKFHXSA-N 1 0 376.456 3.977 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H]1[NH+](C)C ZINC000495713539 886489969 /nfs/dbraw/zinc/48/99/69/886489969.db2.gz QUDUQQCUPUEBEK-SFTDATJTSA-N 1 0 395.528 3.663 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670199754 886802846 /nfs/dbraw/zinc/80/28/46/886802846.db2.gz UASOJBMDASIBEP-FQEVSTJZSA-N 1 0 395.551 3.518 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670201068 886828914 /nfs/dbraw/zinc/82/89/14/886828914.db2.gz URNWOBHWEOCYQK-NRFANRHFSA-N 1 0 388.519 3.627 20 30 GHEDRO C[C@H]1[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000808838776 886858501 /nfs/dbraw/zinc/85/85/01/886858501.db2.gz DMANLGDFAHRIQW-MAUKXSAKSA-N 1 0 382.439 3.513 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000808843518 886864586 /nfs/dbraw/zinc/86/45/86/886864586.db2.gz PTALMRXGVRSXFV-ZIFCJYIRSA-N 1 0 378.476 3.762 20 30 GHEDRO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000532649580 886900062 /nfs/dbraw/zinc/90/00/62/886900062.db2.gz LCXFANQEMFHFOH-UGKGYDQZSA-N 1 0 390.531 3.872 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000237329110 886934298 /nfs/dbraw/zinc/93/42/98/886934298.db2.gz SLYBBZVCYAMTGD-HDICACEKSA-N 1 0 376.541 3.628 20 30 GHEDRO CC(C)(C)c1ccc(N2CCC([NH2+]C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000863550924 887206837 /nfs/dbraw/zinc/20/68/37/887206837.db2.gz FPRORGHZBTZJNS-JOCHJYFZSA-N 1 0 399.579 3.614 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2cc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)ccc21 ZINC000863556566 887210018 /nfs/dbraw/zinc/21/00/18/887210018.db2.gz FUVOKNNEIMHBQO-SFHVURJKSA-N 1 0 385.508 3.519 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000809635791 887639454 /nfs/dbraw/zinc/63/94/54/887639454.db2.gz MFKMOKRBACHCQH-FQEVSTJZSA-N 1 0 376.504 3.899 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCOC[C@@H]2CCOC2)cc1 ZINC000119932640 887655126 /nfs/dbraw/zinc/65/51/26/887655126.db2.gz NQFHIVAQFIXQPX-NRFANRHFSA-N 1 0 381.520 3.996 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC001168501867 887711522 /nfs/dbraw/zinc/71/15/22/887711522.db2.gz QGJRGIZRYKILLB-CVEARBPZSA-N 1 0 383.414 3.978 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)cc(OC)c1O ZINC000809721019 887747133 /nfs/dbraw/zinc/74/71/33/887747133.db2.gz RJASNAHMCIGVSF-SFHVURJKSA-N 1 0 376.497 3.618 20 30 GHEDRO CCCCCCCOc1cccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000809749182 887784756 /nfs/dbraw/zinc/78/47/56/887784756.db2.gz CMKGJKGLXASKJW-UHFFFAOYSA-N 1 0 387.524 3.552 20 30 GHEDRO N#Cc1cccc2[nH]nc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)c21 ZINC001184401820 913184507 /nfs/dbraw/zinc/18/45/07/913184507.db2.gz NRARCVUEYDGYMR-INIZCTEOSA-N 1 0 393.878 3.939 20 30 GHEDRO COc1c(Cl)cccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000897482931 888279635 /nfs/dbraw/zinc/27/96/35/888279635.db2.gz XKYORCFYYABQMI-UHFFFAOYSA-N 1 0 381.867 3.811 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001202519796 888575965 /nfs/dbraw/zinc/57/59/65/888575965.db2.gz KJUFUHZGANBQDU-VXGBXAGGSA-N 1 0 382.302 3.712 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C(=O)c3ccccc3Cl)CC1)C2 ZINC000865846980 888608232 /nfs/dbraw/zinc/60/82/32/888608232.db2.gz CIHBLYQRKJGJGA-LJQANCHMSA-N 1 0 379.891 3.573 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2c(ccnc2Cl)o1 ZINC000866347696 888839833 /nfs/dbraw/zinc/83/98/33/888839833.db2.gz WLLHVFTVHSUTNN-GUYCJALGSA-N 1 0 394.862 3.805 20 30 GHEDRO Cc1ccc(C)c(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000916307075 888908612 /nfs/dbraw/zinc/90/86/12/888908612.db2.gz PVESVEYDGVPXFZ-UHFFFAOYSA-N 1 0 380.561 3.766 20 30 GHEDRO CCC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000916307162 888911220 /nfs/dbraw/zinc/91/12/20/888911220.db2.gz UKFUDHBYFYUXKV-UHFFFAOYSA-N 1 0 380.561 3.929 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1cccc(OCC#N)c1 ZINC000810824005 888912162 /nfs/dbraw/zinc/91/21/62/888912162.db2.gz NOQYGILUIOWJNB-JOCHJYFZSA-N 1 0 392.499 3.975 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc3ccccc31)C2 ZINC000866615700 888969317 /nfs/dbraw/zinc/96/93/17/888969317.db2.gz ILXMGZWJJCGQOI-ICSRJNTNSA-N 1 0 399.416 3.651 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCN(C(=O)Oc3ccccc3)CC1)C2 ZINC000866617768 888970525 /nfs/dbraw/zinc/97/05/25/888970525.db2.gz PCXLSLDRAILPMQ-LEWJYISDSA-N 1 0 375.472 3.669 20 30 GHEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532825003 889021319 /nfs/dbraw/zinc/02/13/19/889021319.db2.gz AUMLLVQAOPWAQE-VXKWHMMOSA-N 1 0 382.529 3.990 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000121676011 889082029 /nfs/dbraw/zinc/08/20/29/889082029.db2.gz LRVGPIIHKMFVFI-KRWDZBQOSA-N 1 0 377.912 3.665 20 30 GHEDRO CN1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001132621756 889202033 /nfs/dbraw/zinc/20/20/33/889202033.db2.gz JCCOUXSDMHYMEH-NRFANRHFSA-N 1 0 387.439 3.647 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000454554202 889272181 /nfs/dbraw/zinc/27/21/81/889272181.db2.gz WAKOOLYLCZLLDJ-LBPRGKRZSA-N 1 0 384.293 3.599 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000533040713 889596118 /nfs/dbraw/zinc/59/61/18/889596118.db2.gz OXIKFLKKZXBPRV-IBGZPJMESA-N 1 0 380.496 3.625 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000063402242 889601145 /nfs/dbraw/zinc/60/11/45/889601145.db2.gz ZJGYCTYVFFAXRQ-UHFFFAOYSA-N 1 0 382.464 3.554 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2cc(C#N)ccc2Br)C1 ZINC000811447857 889606890 /nfs/dbraw/zinc/60/68/90/889606890.db2.gz PVDVZOUDPWHVAT-KRWDZBQOSA-N 1 0 383.261 3.576 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811491411 889642074 /nfs/dbraw/zinc/64/20/74/889642074.db2.gz KVWUVZMJCBBVTQ-CZUORRHYSA-N 1 0 383.414 3.924 20 30 GHEDRO CCOc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000533078315 889702616 /nfs/dbraw/zinc/70/26/16/889702616.db2.gz SQEAKIZGUJTUPQ-UHFFFAOYSA-N 1 0 395.528 3.894 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@@H]1C(F)(F)F ZINC001168517165 889777127 /nfs/dbraw/zinc/77/71/27/889777127.db2.gz DNXIKFLOXWBCJD-LJISPDSOSA-N 1 0 375.435 3.989 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000173592247 889779521 /nfs/dbraw/zinc/77/95/21/889779521.db2.gz RFPYMJNFJUWWBK-SFHVURJKSA-N 1 0 381.476 3.534 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(OC)n1)[n+]1ccc(CCC)cc1 ZINC000811723485 889922804 /nfs/dbraw/zinc/92/28/04/889922804.db2.gz FOHNSDRTJLIODW-UHFFFAOYSA-O 1 0 384.525 3.707 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000125293924 889942319 /nfs/dbraw/zinc/94/23/19/889942319.db2.gz WLIKXPZPBVWQBF-UHFFFAOYSA-N 1 0 392.503 3.890 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC001184732890 913400871 /nfs/dbraw/zinc/40/08/71/913400871.db2.gz IMHRWSZZLPLJKN-STZQEDGTSA-N 1 0 389.503 3.718 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000811886150 890087565 /nfs/dbraw/zinc/08/75/65/890087565.db2.gz AGPAVPOWBOWWBD-HXUWFJFHSA-N 1 0 394.494 3.799 20 30 GHEDRO C=CCCCCCCC[N@H+]1CCOC[C@]2(CC(=O)N(CC(F)(F)F)C2)C1 ZINC001275335040 913419559 /nfs/dbraw/zinc/41/95/59/913419559.db2.gz DZBVVOCMUDEFMB-GOSISDBHSA-N 1 0 376.463 3.626 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 ZINC000287580590 913423284 /nfs/dbraw/zinc/42/32/84/913423284.db2.gz QYZZJJFQNWOTHY-HNNXBMFYSA-N 1 0 375.490 3.514 20 30 GHEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001133134428 890268633 /nfs/dbraw/zinc/26/86/33/890268633.db2.gz PEPCWGXXNXSMIR-LJQANCHMSA-N 1 0 379.589 3.706 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000841762519 890297445 /nfs/dbraw/zinc/29/74/45/890297445.db2.gz PTFJNAKBZLHAGE-KQLYMOGASA-N 1 0 399.535 3.844 20 30 GHEDRO Cc1ccc2c(c1)[nH]cc2C1=CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000533350428 890354710 /nfs/dbraw/zinc/35/47/10/890354710.db2.gz KIMRDGWYFIEYCM-UHFFFAOYSA-N 1 0 376.504 3.908 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000533416737 890502671 /nfs/dbraw/zinc/50/26/71/890502671.db2.gz PSCOWDACEBWYPY-AWEZNQCLSA-N 1 0 386.293 3.822 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001184819953 913460519 /nfs/dbraw/zinc/46/05/19/913460519.db2.gz HUQQDWZDHMYFHW-IYBDPMFKSA-N 1 0 380.448 3.688 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000126610552 890613612 /nfs/dbraw/zinc/61/36/12/890613612.db2.gz ALBFPNXYLVUVDH-OAQYLSRUSA-N 1 0 392.503 3.561 20 30 GHEDRO CCC1(CNC(=O)Cc2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000533589163 890920527 /nfs/dbraw/zinc/92/05/27/890920527.db2.gz XFGWDTKHVIXTHK-UHFFFAOYSA-N 1 0 375.516 3.909 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1 ZINC000812799477 890994425 /nfs/dbraw/zinc/99/44/25/890994425.db2.gz JTDHEEGVPRNUGU-IAGOWNOFSA-N 1 0 378.476 3.748 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853721 891046701 /nfs/dbraw/zinc/04/67/01/891046701.db2.gz SUHZYNDNWVSTCB-RDPSFJRHSA-N 1 0 393.531 3.994 20 30 GHEDRO C=C(CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000497346758 891086195 /nfs/dbraw/zinc/08/61/95/891086195.db2.gz HKALVHRWQBXHTQ-HXUWFJFHSA-N 1 0 393.531 3.899 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000812893040 891107860 /nfs/dbraw/zinc/10/78/60/891107860.db2.gz XNUUANKPWCNNDP-YHYVQYDKSA-N 1 0 379.479 3.852 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc4c(s3)CCC4)C2)CC1 ZINC000917097644 891119473 /nfs/dbraw/zinc/11/94/73/891119473.db2.gz DSXXZHLHLUULHJ-INIZCTEOSA-N 1 0 388.581 3.561 20 30 GHEDRO C#C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000812933711 891139014 /nfs/dbraw/zinc/13/90/14/891139014.db2.gz LAGNTOORBQEWPE-QFIPXVFZSA-N 1 0 379.479 3.985 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc3cnccc3o2)c(OC)c1 ZINC000872239846 891215507 /nfs/dbraw/zinc/21/55/07/891215507.db2.gz LLRQPFIDWFFGEI-QAPCUYQASA-N 1 0 382.460 3.655 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1 ZINC000154280829 891251846 /nfs/dbraw/zinc/25/18/46/891251846.db2.gz PHGLBAGCRYUJBG-UHFFFAOYSA-N 1 0 395.478 3.620 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2coc(-c3ccc(Cl)cc3)n2)cc1 ZINC000747838783 891289399 /nfs/dbraw/zinc/28/93/99/891289399.db2.gz KTLVQAJORFLRFS-UHFFFAOYSA-N 1 0 384.867 3.894 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CCC(CC)([NH+](C)C)CC2)c1=S ZINC000872669828 891300747 /nfs/dbraw/zinc/30/07/47/891300747.db2.gz UJDULOFVCGOTRC-UHFFFAOYSA-N 1 0 375.542 3.624 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000067648771 891393718 /nfs/dbraw/zinc/39/37/18/891393718.db2.gz WEQNMNUUNPACJR-FQEVSTJZSA-N 1 0 382.552 3.520 20 30 GHEDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659292829 891457036 /nfs/dbraw/zinc/45/70/36/891457036.db2.gz DRYPYSIULWPMHD-UHFFFAOYSA-N 1 0 386.311 3.800 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000873303273 891568538 /nfs/dbraw/zinc/56/85/38/891568538.db2.gz HMIAHVAAVLKXGY-UTKZUKDTSA-N 1 0 398.551 3.754 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873317095 891579542 /nfs/dbraw/zinc/57/95/42/891579542.db2.gz ZVZBDXGJJLMJRR-MAUKXSAKSA-N 1 0 388.487 3.880 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cc1OC ZINC000813788695 891974228 /nfs/dbraw/zinc/97/42/28/891974228.db2.gz VMADXWMKNKHWHY-IRXDYDNUSA-N 1 0 394.487 3.697 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000917467541 892058347 /nfs/dbraw/zinc/05/83/47/892058347.db2.gz JSGBQDSKUOYMQR-QGZVFWFLSA-N 1 0 384.549 3.510 20 30 GHEDRO O=S(=O)(c1ccc(N=NC2CC[NH+](C3CCCC3)CC2)cc1)C(F)(F)F ZINC000917547731 892148987 /nfs/dbraw/zinc/14/89/87/892148987.db2.gz BCNVDLSJXBOREY-UHFFFAOYSA-N 1 0 389.443 3.786 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000729808722 892220070 /nfs/dbraw/zinc/22/00/70/892220070.db2.gz FOVKPJFSUWODSN-FGTMMUONSA-N 1 0 380.513 3.987 20 30 GHEDRO C#CCCCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000814137000 892296491 /nfs/dbraw/zinc/29/64/91/892296491.db2.gz IQBJPGKSTSGGQP-QHCPKHFHSA-N 1 0 375.516 3.878 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1cccc(C)c1 ZINC000154492165 892446889 /nfs/dbraw/zinc/44/68/89/892446889.db2.gz SIWIUDUZPIKSFL-HNNXBMFYSA-O 1 0 387.525 3.627 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 ZINC000154504653 892458133 /nfs/dbraw/zinc/45/81/33/892458133.db2.gz WABHKUJWSCLCNM-CYBMUJFWSA-O 1 0 392.495 3.645 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1CCC(C#N)CC1 ZINC000282055901 892606295 /nfs/dbraw/zinc/60/62/95/892606295.db2.gz AQRDWQASCHURBC-AOMIVXANSA-N 1 0 382.552 3.870 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000272890365 892931810 /nfs/dbraw/zinc/93/18/10/892931810.db2.gz DSHWNWPJGBCAGL-JUYBDXISSA-N 1 0 390.574 3.739 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000933502190 893060325 /nfs/dbraw/zinc/06/03/25/893060325.db2.gz LZDMDFJCGSKMIB-AVRDEDQJSA-N 1 0 391.556 3.856 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000814677720 893062152 /nfs/dbraw/zinc/06/21/52/893062152.db2.gz KLRXZBTZJAXCLY-YLJYHZDGSA-N 1 0 385.305 3.919 20 30 GHEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)NC1CCN(c2ccccc2)CC1 ZINC000125952000 893166977 /nfs/dbraw/zinc/16/69/77/893166977.db2.gz JNIDFSUCGSSFIE-UHFFFAOYSA-N 1 0 385.581 3.775 20 30 GHEDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+](C)C)cc1 ZINC001134686396 893200273 /nfs/dbraw/zinc/20/02/73/893200273.db2.gz JFCDEFKDCRMYSI-NRFANRHFSA-N 1 0 378.520 3.586 20 30 GHEDRO CC(N=Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000814829626 893211829 /nfs/dbraw/zinc/21/18/29/893211829.db2.gz COIQEBGWDPRRTQ-UHFFFAOYSA-N 1 0 386.521 3.617 20 30 GHEDRO N#Cc1ncc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1Cl ZINC000455754940 893216318 /nfs/dbraw/zinc/21/63/18/893216318.db2.gz MDAGKPDVHFXOEH-UHFFFAOYSA-N 1 0 383.883 3.914 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001170769009 893246931 /nfs/dbraw/zinc/24/69/31/893246931.db2.gz JYEWMSIJFFIESA-IBGZPJMESA-N 1 0 378.394 3.759 20 30 GHEDRO CCC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(Br)cc1C(F)(F)F ZINC000814897191 893262498 /nfs/dbraw/zinc/26/24/98/893262498.db2.gz GQSBWCPWQPEKOJ-QMMMGPOBSA-N 1 0 377.208 3.519 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000563013896 893277796 /nfs/dbraw/zinc/27/77/96/893277796.db2.gz NHHSZMPMQKWHQM-QAPCUYQASA-N 1 0 392.421 3.732 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1Cl ZINC000129378745 893301795 /nfs/dbraw/zinc/30/17/95/893301795.db2.gz HPCZJPBEFIGUQA-OXQOHEQNSA-N 1 0 399.926 3.675 20 30 GHEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876728026 893302623 /nfs/dbraw/zinc/30/26/23/893302623.db2.gz WCVMVTUOGUXMJH-HSZRJFAPSA-N 1 0 382.552 3.627 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)CC1 ZINC000645212463 913758183 /nfs/dbraw/zinc/75/81/83/913758183.db2.gz KYPUYSFXQRCNIN-GOSISDBHSA-N 1 0 395.906 3.603 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001134820342 893356302 /nfs/dbraw/zinc/35/63/02/893356302.db2.gz JAOXSMSROIUTJV-RWDZGOCJSA-N 1 0 385.511 3.988 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C1 ZINC001137114478 893390328 /nfs/dbraw/zinc/39/03/28/893390328.db2.gz MQWLVFKHUPLZOY-UHFFFAOYSA-N 1 0 383.492 3.590 20 30 GHEDRO C=CCc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1OC ZINC000021939681 893398276 /nfs/dbraw/zinc/39/82/76/893398276.db2.gz XTKMXHUJVJEKIK-UHFFFAOYSA-N 1 0 394.515 3.958 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000876946657 893399183 /nfs/dbraw/zinc/39/91/83/893399183.db2.gz UOTQWJJAXOPHIU-OKZBNKHCSA-N 1 0 389.515 3.628 20 30 GHEDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCC(C#N)CC2)NC(=O)OC(C)(C)C)cc1 ZINC000877132689 893502006 /nfs/dbraw/zinc/50/20/06/893502006.db2.gz KQLFDAFSNJNNIY-OUNSHVDWSA-N 1 0 386.540 3.990 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459441239 893530576 /nfs/dbraw/zinc/53/05/76/893530576.db2.gz NITIOQDIZCBNDG-OAQYLSRUSA-N 1 0 378.476 3.857 20 30 GHEDRO CCN(C(=O)NCCc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000466822220 913779386 /nfs/dbraw/zinc/77/93/86/913779386.db2.gz MMMQWCDXHGOMLI-AUSIDOKSSA-N 1 0 390.531 3.968 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1=O ZINC001137118298 893556415 /nfs/dbraw/zinc/55/64/15/893556415.db2.gz SPTNWDFQTLOIQR-XMMPIXPASA-N 1 0 389.499 3.735 20 30 GHEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000934465073 893656901 /nfs/dbraw/zinc/65/69/01/893656901.db2.gz CFFIIMNBMVJXLC-IBGZPJMESA-N 1 0 393.487 3.927 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(-c3ccccc3)s2)c1C#N ZINC000563412991 893704232 /nfs/dbraw/zinc/70/42/32/893704232.db2.gz UFSJIFYFWIWHTD-UHFFFAOYSA-N 1 0 379.489 3.723 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)CC1 ZINC000609279574 893792808 /nfs/dbraw/zinc/79/28/08/893792808.db2.gz LWOILQYUYVNYBU-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC(C)(C)CCC#N)C[C@@H]1C(F)(F)F ZINC000877816012 893823559 /nfs/dbraw/zinc/82/35/59/893823559.db2.gz AZUUBLRCILXIAJ-KBPBESRZSA-N 1 0 377.451 3.951 20 30 GHEDRO COc1cc(C)c(CN(C)CC[C@@](C#N)(C(C)=O)c2ccccc2)cc1OC ZINC000877904178 893882089 /nfs/dbraw/zinc/88/20/89/893882089.db2.gz FEJCWRWRXKVSFK-HSZRJFAPSA-N 1 0 380.488 3.885 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459637203 893951963 /nfs/dbraw/zinc/95/19/63/893951963.db2.gz IDJTXGIANXWMML-RHSMWYFYSA-N 1 0 395.425 3.566 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000536879736 893999525 /nfs/dbraw/zinc/99/95/25/893999525.db2.gz WHWTXPOYIFTGCF-CQSZACIVSA-N 1 0 391.393 3.963 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662782 894016125 /nfs/dbraw/zinc/01/61/25/894016125.db2.gz NZOQREUXQNLEKK-KRWDZBQOSA-N 1 0 395.425 3.568 20 30 GHEDRO C#Cc1ccc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000934933097 894052858 /nfs/dbraw/zinc/05/28/58/894052858.db2.gz LPOAVEUHPOBJMC-GOSISDBHSA-N 1 0 377.488 3.689 20 30 GHEDRO CC1(C#N)CCN(Cc2cc(C#N)cc(C[NH+]3CCC(C)(C#N)CC3)c2)CC1 ZINC000878389664 894253513 /nfs/dbraw/zinc/25/35/13/894253513.db2.gz PRPPQNKFBBFBEO-UHFFFAOYSA-N 1 0 375.520 3.810 20 30 GHEDRO C[C@@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816010264 894366654 /nfs/dbraw/zinc/36/66/54/894366654.db2.gz CHYQZTIVAIRQJG-XLIONFOSSA-N 1 0 377.488 3.692 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(CCC)cc1 ZINC000022797538 894406828 /nfs/dbraw/zinc/40/68/28/894406828.db2.gz LCTFRDOPVOXUCL-UHFFFAOYSA-O 1 0 384.569 3.986 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(CC)cc1 ZINC000022796972 894406976 /nfs/dbraw/zinc/40/69/76/894406976.db2.gz CURZUGKPQSAGSX-UHFFFAOYSA-O 1 0 375.464 3.919 20 30 GHEDRO COc1cc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c(SC)cc1OC ZINC000564005659 894439508 /nfs/dbraw/zinc/43/95/08/894439508.db2.gz GZYMURHLKRMYQO-UHFFFAOYSA-N 1 0 386.517 3.946 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000537175028 894494377 /nfs/dbraw/zinc/49/43/77/894494377.db2.gz OKDWRJUWJAUDRI-QRWLVFNGSA-N 1 0 399.564 3.987 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC[C@H]21 ZINC000878675636 894504324 /nfs/dbraw/zinc/50/43/24/894504324.db2.gz RBLUEGCRLDKPCX-LAUBAEHRSA-N 1 0 376.460 3.908 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OC ZINC000127285984 894527186 /nfs/dbraw/zinc/52/71/86/894527186.db2.gz OTTAZHWUXQATDH-UHFFFAOYSA-N 1 0 382.504 3.777 20 30 GHEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000564059901 894534093 /nfs/dbraw/zinc/53/40/93/894534093.db2.gz YQZHXBJGDBPQDH-UHFFFAOYSA-N 1 0 390.535 3.687 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCOCC1 ZINC000537221010 894586689 /nfs/dbraw/zinc/58/66/89/894586689.db2.gz RDQOXNPAULUUFU-NVXWUHKLSA-N 1 0 375.538 3.672 20 30 GHEDRO Cc1csc(CC2(O)CCN(Cc3cc(Cl)ccc3OCC#N)CC2)n1 ZINC000878927406 894728000 /nfs/dbraw/zinc/72/80/00/894728000.db2.gz VFCILTWQKHDIMR-UHFFFAOYSA-N 1 0 391.924 3.577 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cn3)C2)c(F)c1 ZINC000537303181 894733504 /nfs/dbraw/zinc/73/35/04/894733504.db2.gz BVOSSOFDYAIQMB-MRXNPFEDSA-N 1 0 389.272 3.613 20 30 GHEDRO C=CCCC[C@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000878944914 894742393 /nfs/dbraw/zinc/74/23/93/894742393.db2.gz DOTLUWZSLKDKJB-QHCPKHFHSA-N 1 0 383.580 3.613 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001135566708 894803500 /nfs/dbraw/zinc/80/35/00/894803500.db2.gz RSRDCKUFXDBZPS-RBUKOAKNSA-N 1 0 389.540 3.655 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000564293457 894828372 /nfs/dbraw/zinc/82/83/72/894828372.db2.gz MCVOYMKMZJVNQK-HKUYNNGSSA-N 1 0 396.560 3.709 20 30 GHEDRO C[C@H]1[C@H](OC(=O)Cc2cccc(OCC#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000816470399 894829394 /nfs/dbraw/zinc/82/93/94/894829394.db2.gz NCGMDYQTPUCGEA-PGRDOPGGSA-N 1 0 378.472 3.728 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000537407527 894927725 /nfs/dbraw/zinc/92/77/25/894927725.db2.gz QCRDGZXGFDWZAA-RISCZKNCSA-N 1 0 375.806 3.946 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(Cc1[nH]nc3c1cccc3C)CC2 ZINC001137143554 894975917 /nfs/dbraw/zinc/97/59/17/894975917.db2.gz RVOYRMBAVCWWNC-UHFFFAOYSA-N 1 0 391.519 3.739 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)c2ccnn2C)ccc1OCc1cccc(C#N)c1 ZINC000879685287 895233307 /nfs/dbraw/zinc/23/33/07/895233307.db2.gz FTJXVGUZBIJYQZ-MRXNPFEDSA-N 1 0 376.460 3.730 20 30 GHEDRO CC(C)CN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC000879705044 895244958 /nfs/dbraw/zinc/24/49/58/895244958.db2.gz YSGFOTTXFWVXSV-SFHVURJKSA-N 1 0 398.576 3.772 20 30 GHEDRO N#Cc1cccc(C2(C(=O)N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC2)c1 ZINC000565114650 895392371 /nfs/dbraw/zinc/39/23/71/895392371.db2.gz MTTADDLWNRFTJD-XMMPIXPASA-N 1 0 385.511 3.714 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000879948840 895420930 /nfs/dbraw/zinc/42/09/30/895420930.db2.gz MLSSDQDCTXALCW-UHFFFAOYSA-N 1 0 386.565 3.581 20 30 GHEDRO Cc1csc([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007566 895445691 /nfs/dbraw/zinc/44/56/91/895445691.db2.gz JLOIYICRZHBDMA-CYBMUJFWSA-N 1 0 386.546 3.692 20 30 GHEDRO COC(=O)c1ccc(NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c(C#N)n1 ZINC000565221338 895468050 /nfs/dbraw/zinc/46/80/50/895468050.db2.gz IVKGHDPKVFQNFH-INIZCTEOSA-N 1 0 378.476 3.815 20 30 GHEDRO C[C@@H]1C[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294889 895468445 /nfs/dbraw/zinc/46/84/45/895468445.db2.gz ZECVIENDEIGERD-QRVBRYPASA-N 1 0 393.572 3.958 20 30 GHEDRO C=CCCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000880389087 895682147 /nfs/dbraw/zinc/68/21/47/895682147.db2.gz RABGFMBDXATREO-QFIPXVFZSA-N 1 0 399.579 3.779 20 30 GHEDRO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000626131738 895706687 /nfs/dbraw/zinc/70/66/87/895706687.db2.gz KIVWKWJIKPNNKW-UHFFFAOYSA-N 1 0 375.472 3.732 20 30 GHEDRO COC[C@]1(C[NH2+][C@@H](CCC#N)c2ccc(OC)cc2)OCCc2ccccc21 ZINC000565568478 895729787 /nfs/dbraw/zinc/72/97/87/895729787.db2.gz FVVJZZNZYSDGER-GOTSBHOMSA-N 1 0 380.488 3.744 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)CC2 ZINC000565977282 896022642 /nfs/dbraw/zinc/02/26/42/896022642.db2.gz ISJISKVZEGMTLJ-HNAYVOBHSA-N 1 0 390.405 3.885 20 30 GHEDRO C#CCCCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000818304225 896107544 /nfs/dbraw/zinc/10/75/44/896107544.db2.gz PEHPSLPYTSTGOZ-QFIPXVFZSA-N 1 0 382.548 3.615 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+](Cc3cccc(Br)c3)CC3CC3)cnc12 ZINC000566242308 896195081 /nfs/dbraw/zinc/19/50/81/896195081.db2.gz ICJQUNYCAIGMHD-UHFFFAOYSA-N 1 0 396.292 3.776 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(CC#N)n1 ZINC000881146230 896196446 /nfs/dbraw/zinc/19/64/46/896196446.db2.gz MBKMASHSVLDGGM-LJQANCHMSA-N 1 0 377.492 3.570 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000818593037 896230516 /nfs/dbraw/zinc/23/05/16/896230516.db2.gz ISGHEIJXBORWIC-UHFFFAOYSA-N 1 0 393.512 3.805 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000818602744 896233908 /nfs/dbraw/zinc/23/39/08/896233908.db2.gz BJDPEVRFVUMYLE-UHFFFAOYSA-N 1 0 381.863 3.689 20 30 GHEDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000819090909 896369804 /nfs/dbraw/zinc/36/98/04/896369804.db2.gz AEQYZKVWISLXHP-UHFFFAOYSA-N 1 0 398.528 3.861 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000819152822 896409006 /nfs/dbraw/zinc/40/90/06/896409006.db2.gz CHEKLXNTHVDEGA-RXVVDRJESA-N 1 0 378.472 3.528 20 30 GHEDRO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)cc2C1 ZINC000819249154 896489663 /nfs/dbraw/zinc/48/96/63/896489663.db2.gz HBUBHLBBFQDPIS-NRFANRHFSA-N 1 0 393.487 3.632 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2sc(SCC(=C)Cl)nc2C)CC1 ZINC000819248874 896489772 /nfs/dbraw/zinc/48/97/72/896489772.db2.gz BRQRNYOHPYNZQI-UHFFFAOYSA-N 1 0 385.986 3.605 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000819211471 896503000 /nfs/dbraw/zinc/50/30/00/896503000.db2.gz BTHUOCGZWSSDAJ-DNVCBOLYSA-N 1 0 376.287 3.767 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3cccc4ccccc43)C2=O)cc1 ZINC000819218636 896512243 /nfs/dbraw/zinc/51/22/43/896512243.db2.gz RICJJJCORGGKKU-PKTZIBPZSA-N 1 0 385.467 3.530 20 30 GHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819354985 896599078 /nfs/dbraw/zinc/59/90/78/896599078.db2.gz OBHPONQNIXDSCE-QGZVFWFLSA-N 1 0 388.512 3.582 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000566888188 896666867 /nfs/dbraw/zinc/66/68/67/896666867.db2.gz YHANQIBOPNKHSX-FPOVZHCZSA-N 1 0 376.460 3.957 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000819498354 896764526 /nfs/dbraw/zinc/76/45/26/896764526.db2.gz FAHRUZVNHOTXLH-AWEZNQCLSA-N 1 0 388.002 3.828 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000882397021 896788333 /nfs/dbraw/zinc/78/83/33/896788333.db2.gz KATATGJPFFYYGS-GOSISDBHSA-N 1 0 380.879 3.748 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)s1 ZINC000819535432 896789901 /nfs/dbraw/zinc/78/99/01/896789901.db2.gz UAUQKLZIDCCAOT-LBPRGKRZSA-N 1 0 375.991 3.684 20 30 GHEDRO N#CC[C@@H](CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC000882398364 896790487 /nfs/dbraw/zinc/79/04/87/896790487.db2.gz VTUKSLUAMRCISF-REWPJTCUSA-N 1 0 388.515 3.997 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC(C)(C)C[NH+]2CCCC2)s1 ZINC000819559449 896846604 /nfs/dbraw/zinc/84/66/04/896846604.db2.gz LBLZKKAHIPTSSU-UHFFFAOYSA-N 1 0 388.002 3.829 20 30 GHEDRO C=C(C)COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)ccc1OC ZINC000567258055 897013535 /nfs/dbraw/zinc/01/35/35/897013535.db2.gz IBFMIQLPNXWXNN-WCRBZPEASA-N 1 0 388.552 3.724 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000796283138 914133703 /nfs/dbraw/zinc/13/37/03/914133703.db2.gz PRDGTXGXJHOMHU-CZTZKLFOSA-N 1 0 384.483 3.688 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000130736393 897203766 /nfs/dbraw/zinc/20/37/66/897203766.db2.gz QOMWMYUKGYOQKK-UHFFFAOYSA-N 1 0 394.475 3.988 20 30 GHEDRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000130858049 897235039 /nfs/dbraw/zinc/23/50/39/897235039.db2.gz RBKFHHUZAOKCTL-QGZVFWFLSA-N 1 0 385.533 3.545 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000042184284 897256537 /nfs/dbraw/zinc/25/65/37/897256537.db2.gz FQAUNBPEAHFARH-QWHCGFSZSA-N 1 0 387.867 3.907 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000567736611 897369224 /nfs/dbraw/zinc/36/92/24/897369224.db2.gz XQEMDCRIUSHXOF-GOSISDBHSA-N 1 0 391.519 3.925 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000131273405 897389959 /nfs/dbraw/zinc/38/99/59/897389959.db2.gz OQKLHODVRRXVNB-HKUYNNGSSA-N 1 0 387.524 3.952 20 30 GHEDRO C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccc(Br)cc1 ZINC000820616221 897413378 /nfs/dbraw/zinc/41/33/78/897413378.db2.gz GVXDRBLUSXDVOK-OLMNPRSZSA-N 1 0 392.341 3.638 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cnc4cccc(C)n34)C2)CC1 ZINC001137191287 897690873 /nfs/dbraw/zinc/69/08/73/897690873.db2.gz VSHFBTSJYZTEDC-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000883623900 897767490 /nfs/dbraw/zinc/76/74/90/897767490.db2.gz INKPQHUINMJOOP-XLIONFOSSA-N 1 0 393.478 3.525 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)CC2 ZINC000568451579 897848335 /nfs/dbraw/zinc/84/83/35/897848335.db2.gz GFFWKJADPOCUIO-VXKWHMMOSA-N 1 0 381.907 3.862 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000568478541 897874863 /nfs/dbraw/zinc/87/48/63/897874863.db2.gz CCZYDXDXOSWDAL-MRXNPFEDSA-N 1 0 379.464 3.694 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000042889289 897985600 /nfs/dbraw/zinc/98/56/00/897985600.db2.gz SIXVHIJUFIFTJA-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1nc(Cl)sc1Cl ZINC000821674425 898028341 /nfs/dbraw/zinc/02/83/41/898028341.db2.gz GGDFZICXZOBBSO-UHFFFAOYSA-N 1 0 383.304 3.526 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(CC)cc1 ZINC000132972054 898038081 /nfs/dbraw/zinc/03/80/81/898038081.db2.gz YGHXFOUZDOLARS-UHFFFAOYSA-O 1 0 383.537 3.958 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)cc1 ZINC000568859878 898171374 /nfs/dbraw/zinc/17/13/74/898171374.db2.gz ZFJALADYHUIMER-SCCNAQOGSA-N 1 0 388.870 3.763 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2csc(Br)c2)CC1 ZINC000106274947 898262343 /nfs/dbraw/zinc/26/23/43/898262343.db2.gz JDMVQVNUQBNMMN-UHFFFAOYSA-N 1 0 386.359 3.693 20 30 GHEDRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000108394151 898379402 /nfs/dbraw/zinc/37/94/02/898379402.db2.gz SLLUUGDHQRVSDI-FXAWDEMLSA-N 1 0 375.488 3.742 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC001136590658 898448712 /nfs/dbraw/zinc/44/87/12/898448712.db2.gz AKFNRGFYVQWFRE-HXUWFJFHSA-N 1 0 382.504 3.612 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000805793867 898486966 /nfs/dbraw/zinc/48/69/66/898486966.db2.gz LEFNGTQQHJEEEK-QFIPXVFZSA-N 1 0 385.508 3.812 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000569383541 898598217 /nfs/dbraw/zinc/59/82/17/898598217.db2.gz MPKABQISRUTHAW-FQEVSTJZSA-N 1 0 383.540 3.518 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC000822821402 898653438 /nfs/dbraw/zinc/65/34/38/898653438.db2.gz VRRSZTCAAQCTAE-HXUWFJFHSA-N 1 0 381.451 3.663 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1c[nH]c3ccccc31)c1ccccc1)C2 ZINC000884051474 898666128 /nfs/dbraw/zinc/66/61/28/898666128.db2.gz HYJNPNXGVAMWCV-MLSYTQOQSA-N 1 0 398.510 3.555 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2ccc(OC)cc2nc1C)C(C)C ZINC001136650346 898757496 /nfs/dbraw/zinc/75/74/96/898757496.db2.gz XKRPSMRMGYXDFF-QFIPXVFZSA-N 1 0 381.520 3.980 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(N(C)C)nc2ccccc21)C(C)C ZINC001136650100 898757512 /nfs/dbraw/zinc/75/75/12/898757512.db2.gz PLNJPDWVPULLRR-NRFANRHFSA-N 1 0 380.536 3.729 20 30 GHEDRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)oc1C ZINC000111412562 898802051 /nfs/dbraw/zinc/80/20/51/898802051.db2.gz IWMPKNUIXNZBQD-UHFFFAOYSA-N 1 0 395.551 3.643 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1nc3ccccc3n1C1CCCCC1)C2 ZINC000884090915 898845851 /nfs/dbraw/zinc/84/58/51/898845851.db2.gz JHJJNMDSHSSERF-JXORXQGFSA-N 1 0 377.492 3.619 20 30 GHEDRO N#CCCC[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000569697406 898895060 /nfs/dbraw/zinc/89/50/60/898895060.db2.gz ASBXSVGCZCUZLG-SFHVURJKSA-N 1 0 377.897 3.512 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)C2 ZINC000884122565 898973160 /nfs/dbraw/zinc/97/31/60/898973160.db2.gz UXNJHQQXSMLIAO-XQCDLMLLSA-N 1 0 377.410 3.508 20 30 GHEDRO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884163675 899142607 /nfs/dbraw/zinc/14/26/07/899142607.db2.gz NIPOKQZWBWBTBO-BIWSTMPVSA-N 1 0 380.319 3.570 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(Oc3ccncc3)c(Cl)c1)C2 ZINC000884209396 899369272 /nfs/dbraw/zinc/36/92/72/899369272.db2.gz ZJNYUITYFDYZQK-DMAKZNTKSA-N 1 0 382.851 3.605 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[C@H](C#N)C3)cc2Cl)CC1 ZINC000824130748 899400369 /nfs/dbraw/zinc/40/03/69/899400369.db2.gz IQLXLSQCQJZGRA-JKSUJKDBSA-N 1 0 389.931 3.686 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCCN(C(=O)C4CC4)CC3)c2)c1 ZINC000119055339 899527650 /nfs/dbraw/zinc/52/76/50/899527650.db2.gz QGHPIAAROMIHLN-UHFFFAOYSA-N 1 0 389.499 3.582 20 30 GHEDRO C#C[C@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC000824370923 899568318 /nfs/dbraw/zinc/56/83/18/899568318.db2.gz TXNFVYOVGSGTAS-DJJJIMSYSA-N 1 0 379.884 3.950 20 30 GHEDRO Cc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000570780214 899585594 /nfs/dbraw/zinc/58/55/94/899585594.db2.gz AQGUALXGTZZZOZ-KUHUBIRLSA-N 1 0 397.544 3.705 20 30 GHEDRO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000571008604 899712782 /nfs/dbraw/zinc/71/27/82/899712782.db2.gz BAFYSIALMUACLV-UHFFFAOYSA-N 1 0 377.366 3.704 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000571199976 899779628 /nfs/dbraw/zinc/77/96/28/899779628.db2.gz NKELBPFZSYUNDV-APWZRJJASA-N 1 0 379.508 3.899 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1Nc1ccc(F)cc1F)C2 ZINC000884324882 899799875 /nfs/dbraw/zinc/79/98/75/899799875.db2.gz CIJDHJIXQHNKBW-GJGORFQUSA-N 1 0 382.414 3.786 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000571437999 899867272 /nfs/dbraw/zinc/86/72/72/899867272.db2.gz PVHCBSSUVGGLIV-QGZVFWFLSA-N 1 0 379.460 3.566 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C12CCCC2 ZINC000333038259 899911974 /nfs/dbraw/zinc/91/19/74/899911974.db2.gz BYTVEUXWVUWDGC-JEBQAFNWSA-N 1 0 387.549 3.763 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000121085128 899948830 /nfs/dbraw/zinc/94/88/30/899948830.db2.gz OXSJWOZUXIUDEK-INIZCTEOSA-N 1 0 396.466 3.580 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1)C2 ZINC000884451396 900089081 /nfs/dbraw/zinc/08/90/81/900089081.db2.gz NXYBKJKCVKPHPX-XQCDLMLLSA-N 1 0 395.400 3.647 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000825331289 900097213 /nfs/dbraw/zinc/09/72/13/900097213.db2.gz CJBXRFNGDKJFFT-UHFFFAOYSA-N 1 0 382.474 3.885 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000134829940 900130756 /nfs/dbraw/zinc/13/07/56/900130756.db2.gz YNYLRNWSFXUQBL-LJQANCHMSA-N 1 0 391.515 3.822 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000135309462 900220017 /nfs/dbraw/zinc/22/00/17/900220017.db2.gz KCCUZVIGAHNVFI-QGZVFWFLSA-N 1 0 386.427 3.670 20 30 GHEDRO C[C@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)OCCc2sccc21 ZINC000289967075 914454757 /nfs/dbraw/zinc/45/47/57/914454757.db2.gz XGJRMGVKSQTVNZ-JOCHJYFZSA-N 1 0 381.545 3.662 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2ncc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC000573716541 900605910 /nfs/dbraw/zinc/60/59/10/900605910.db2.gz YEXIZVDWOGURMQ-LJQANCHMSA-N 1 0 384.911 3.838 20 30 GHEDRO CC(C)[C@@H](C#N)Oc1ccc(-c2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000844229966 900624746 /nfs/dbraw/zinc/62/47/46/900624746.db2.gz UCSVGXVTUZOBPB-XMMPIXPASA-N 1 0 393.531 3.907 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001143849448 900627281 /nfs/dbraw/zinc/62/72/81/900627281.db2.gz LEZLEKQSENDUTP-GCJKJVERSA-N 1 0 376.500 3.788 20 30 GHEDRO COC(=O)c1sc(SC)c(C#N)c1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212803920 900733537 /nfs/dbraw/zinc/73/35/37/900733537.db2.gz CEDXVOLDVMIJSQ-UHFFFAOYSA-N 1 0 391.518 3.812 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000844359756 900766033 /nfs/dbraw/zinc/76/60/33/900766033.db2.gz PIGHIRIVYCIJIL-HBMCJLEFSA-N 1 0 399.535 3.843 20 30 GHEDRO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000844401519 900799063 /nfs/dbraw/zinc/79/90/63/900799063.db2.gz ONRAOFYMDRDWMV-UHFFFAOYSA-N 1 0 389.503 3.536 20 30 GHEDRO CSc1ccc(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cc1C#N ZINC000886277194 900913029 /nfs/dbraw/zinc/91/30/29/900913029.db2.gz JZFLRBHVQGMPCM-CQSZACIVSA-N 1 0 385.480 3.918 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1OC ZINC000574555856 900925793 /nfs/dbraw/zinc/92/57/93/900925793.db2.gz PQYKWCXGNFLCIY-LSDHHAIUSA-N 1 0 398.341 3.911 20 30 GHEDRO C#CCC1([NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CCOCC1 ZINC000886381756 900968648 /nfs/dbraw/zinc/96/86/48/900968648.db2.gz QNWCMDAYDJIRLS-UHFFFAOYSA-N 1 0 378.472 3.610 20 30 GHEDRO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886410723 900987293 /nfs/dbraw/zinc/98/72/93/900987293.db2.gz AHMDYADNYHBPGS-NZQKXSOJSA-N 1 0 399.535 3.758 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000066956189 901029904 /nfs/dbraw/zinc/02/99/04/901029904.db2.gz OHVMEFPCDIVOQE-INIZCTEOSA-N 1 0 390.553 3.703 20 30 GHEDRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3cncc(C#N)c3)CC2)CC1=O ZINC001144079965 901048798 /nfs/dbraw/zinc/04/87/98/901048798.db2.gz QYKOSNCTNQFPRY-UHFFFAOYSA-N 1 0 388.515 3.880 20 30 GHEDRO N#Cc1cncc(C[N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001144085253 901052636 /nfs/dbraw/zinc/05/26/36/901052636.db2.gz ZUDMNCZRZFNGDN-XMMPIXPASA-N 1 0 396.494 3.757 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000575089030 901116500 /nfs/dbraw/zinc/11/65/00/901116500.db2.gz AAHCJKJKZZGMHR-QGZVFWFLSA-N 1 0 390.535 3.923 20 30 GHEDRO Cc1c(Cl)nccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844668409 901157331 /nfs/dbraw/zinc/15/73/31/901157331.db2.gz UMQKLTXGZKOSMD-UHFFFAOYSA-N 1 0 383.883 3.701 20 30 GHEDRO C=C(C(=O)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1)C(F)(F)F ZINC001144209983 901259954 /nfs/dbraw/zinc/25/99/54/901259954.db2.gz WXXYOGBFCWOBAL-UHFFFAOYSA-N 1 0 396.453 3.777 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000091247678 901444410 /nfs/dbraw/zinc/44/44/10/901444410.db2.gz IKHNPCIXDZRIMA-LAUBAEHRSA-N 1 0 376.504 3.849 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccc(-n5cccc5)cc4)C3)CC2=O)c1 ZINC001144246676 901448777 /nfs/dbraw/zinc/44/87/77/901448777.db2.gz FFLUEQGUVPHPPL-RUZDIDTESA-N 1 0 396.494 3.978 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000140570254 901743727 /nfs/dbraw/zinc/74/37/27/901743727.db2.gz HITYNCYPKOCOES-FQEVSTJZSA-N 1 0 384.524 3.527 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001171192755 902257952 /nfs/dbraw/zinc/25/79/52/902257952.db2.gz AVEKCVBPHMRGEJ-QGZVFWFLSA-N 1 0 379.479 3.770 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001171194614 902280249 /nfs/dbraw/zinc/28/02/49/902280249.db2.gz KXYJFGSHJNMKDZ-KRWDZBQOSA-N 1 0 379.479 3.770 20 30 GHEDRO COC(=O)[C@@H](C[NH3+])c1cn([C@@H](C)Cc2cccc(C#N)c2)c2ccc(OC)cc12 ZINC001171194979 902282274 /nfs/dbraw/zinc/28/22/74/902282274.db2.gz OAAOEYDFMJKMGQ-YWZLYKJASA-N 1 0 391.471 3.541 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001171197838 902378342 /nfs/dbraw/zinc/37/83/42/902378342.db2.gz DELNQARNSHMAEQ-CQSZACIVSA-N 1 0 389.425 3.557 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC001171198988 902402395 /nfs/dbraw/zinc/40/23/95/902402395.db2.gz UIXNBZNIVDYTFA-VDGAXYAQSA-N 1 0 379.479 3.959 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001171201624 902496608 /nfs/dbraw/zinc/49/66/08/902496608.db2.gz ORPYSMGTZYEYEO-XXBNENTESA-N 1 0 375.516 3.703 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000845890325 902506363 /nfs/dbraw/zinc/50/63/63/902506363.db2.gz GIGZQEAXZBQCSX-UHFFFAOYSA-N 1 0 389.565 3.563 20 30 GHEDRO CCN(Cc1ccc(OC)cc1OC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000577121084 902519055 /nfs/dbraw/zinc/51/90/55/902519055.db2.gz KJBVXYMRNKROEK-OAQYLSRUSA-N 1 0 393.487 3.593 20 30 GHEDRO CCOc1cccc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1OC(F)F ZINC000846005529 902585977 /nfs/dbraw/zinc/58/59/77/902585977.db2.gz GCOLPLIEDMMXSH-QGZVFWFLSA-N 1 0 376.403 3.724 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001171208798 902634190 /nfs/dbraw/zinc/63/41/90/902634190.db2.gz FAGABRZSUBPVNA-FDDCHVKYSA-N 1 0 399.535 3.591 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)CC1 ZINC000646539756 914644516 /nfs/dbraw/zinc/64/45/16/914644516.db2.gz JSOUYZLUIQUDGK-QGZVFWFLSA-N 1 0 398.404 3.860 20 30 GHEDRO Cc1ccnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1C#N ZINC000577300497 902661928 /nfs/dbraw/zinc/66/19/28/902661928.db2.gz GQWVTWJGHQOEPD-HXUWFJFHSA-N 1 0 376.504 3.602 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001171215626 902749656 /nfs/dbraw/zinc/74/96/56/902749656.db2.gz BYZJFBFULGDNQN-SBUREZEXSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001171215690 902749744 /nfs/dbraw/zinc/74/97/44/902749744.db2.gz CXTFFNRWQDAUQO-DYESRHJHSA-N 1 0 397.473 3.517 20 30 GHEDRO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)Cc2cnn(CC3CC3)c21 ZINC001171215655 902749811 /nfs/dbraw/zinc/74/98/11/902749811.db2.gz CJDPJWANUKPJJO-JTSKRJEESA-N 1 0 378.520 3.732 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000600725540 902847977 /nfs/dbraw/zinc/84/79/77/902847977.db2.gz CLCOASQZSWWGEA-HNNXBMFYSA-N 1 0 381.423 3.973 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)CCOCC1 ZINC000600731106 902854172 /nfs/dbraw/zinc/85/41/72/902854172.db2.gz UVNQCACUSVPXNW-DHIUTWEWSA-N 1 0 378.516 3.674 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000130402170 902954364 /nfs/dbraw/zinc/95/43/64/902954364.db2.gz IZEAMTNYQUXJPC-LJQANCHMSA-N 1 0 383.536 3.635 20 30 GHEDRO Cc1cccc(S(=O)(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1C#N ZINC001186591038 914675887 /nfs/dbraw/zinc/67/58/87/914675887.db2.gz MCAUMAMXDRVARN-SFHVURJKSA-N 1 0 397.544 3.809 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000772949178 903140382 /nfs/dbraw/zinc/14/03/82/903140382.db2.gz PSTAQRDFAXEXEH-LAUBAEHRSA-N 1 0 382.504 3.669 20 30 GHEDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(C(C)(C)C#N)cc3)SC2=S)CC1 ZINC000846757205 903175275 /nfs/dbraw/zinc/17/52/75/903175275.db2.gz VPRAMXHCHOGBQT-ATVHPVEESA-N 1 0 385.558 3.783 20 30 GHEDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000264535944 903180505 /nfs/dbraw/zinc/18/05/05/903180505.db2.gz ZGYHDHVVXPWVOF-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C#N)CCCCC2)C1 ZINC000577817077 903230199 /nfs/dbraw/zinc/23/01/99/903230199.db2.gz JPCHKNWJTWQUAV-UHFFFAOYSA-N 1 0 378.520 3.750 20 30 GHEDRO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC000846901224 903298990 /nfs/dbraw/zinc/29/89/90/903298990.db2.gz GOQRPUGQFPQNEE-UHFFFAOYSA-N 1 0 385.508 3.858 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[N@@H+](C)C[C@H]2CC)s1 ZINC000846968766 903360178 /nfs/dbraw/zinc/36/01/78/903360178.db2.gz COYUKCZMLSAFGS-CQSZACIVSA-N 1 0 388.002 3.781 20 30 GHEDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000578101041 903517833 /nfs/dbraw/zinc/51/78/33/903517833.db2.gz OAMTWENYFQMOEK-INIZCTEOSA-N 1 0 396.539 3.892 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3cccc(CC#N)c3)cc[nH+]2)CC1 ZINC001212838386 903549462 /nfs/dbraw/zinc/54/94/62/903549462.db2.gz SVTGPCFXJXVVBL-UHFFFAOYSA-N 1 0 393.491 3.948 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)CC1 ZINC000265039860 903581940 /nfs/dbraw/zinc/58/19/40/903581940.db2.gz NBCPRXOQOSQZIX-HXUWFJFHSA-N 1 0 392.547 3.668 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)CC1 ZINC000779060882 903690815 /nfs/dbraw/zinc/69/08/15/903690815.db2.gz HFZFEGRSDJUACM-INIZCTEOSA-N 1 0 388.556 3.716 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)ccc1OC ZINC000772983815 903874384 /nfs/dbraw/zinc/87/43/84/903874384.db2.gz ARDNTIZZIHXRPM-SWKXRBFHSA-N 1 0 386.414 3.702 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000772985766 903877395 /nfs/dbraw/zinc/87/73/95/903877395.db2.gz YHSFFBITSZJGHD-GOEBONIOSA-N 1 0 386.883 3.923 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001147969948 903922850 /nfs/dbraw/zinc/92/28/50/903922850.db2.gz NUJIHPNCVHZBEJ-HXUWFJFHSA-N 1 0 377.463 3.616 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc1 ZINC001148596994 904132042 /nfs/dbraw/zinc/13/20/42/904132042.db2.gz RTIWLXUYDXDXQT-IBGZPJMESA-N 1 0 376.500 3.960 20 30 GHEDRO N#CC(CC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)(c1ccccc1)c1ccccc1 ZINC000578835369 904162366 /nfs/dbraw/zinc/16/23/66/904162366.db2.gz OJJVNQGCCFHDPR-HUVFLSCGSA-N 1 0 390.527 3.748 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccc(-c3ncc[nH]3)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001148724847 904173378 /nfs/dbraw/zinc/17/33/78/904173378.db2.gz ZYKCNOGWXMDMOV-HZCBDIJESA-N 1 0 399.498 3.861 20 30 GHEDRO CC(C)Oc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001148779767 904187975 /nfs/dbraw/zinc/18/79/75/904187975.db2.gz QDQWPKRDKBLAGU-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000578864892 904192128 /nfs/dbraw/zinc/19/21/28/904192128.db2.gz YDFBSNVEWMGLRK-OAHLLOKOSA-N 1 0 392.381 3.530 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000578902588 904213536 /nfs/dbraw/zinc/21/35/36/904213536.db2.gz DARZHMDYMXHTBK-BWAGFHJFSA-N 1 0 391.515 3.524 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1nc(N2CCC(C[NH3+])CC2)ncc1C ZINC001171370786 904371050 /nfs/dbraw/zinc/37/10/50/904371050.db2.gz ZNIXKTIOQNMFIB-KRWDZBQOSA-N 1 0 381.524 3.698 20 30 GHEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000773030114 904388857 /nfs/dbraw/zinc/38/88/57/904388857.db2.gz KOAMXQGFMDVGPS-MSOLQXFVSA-N 1 0 391.446 3.784 20 30 GHEDRO C[NH+](C)CC1(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)CCCCC1 ZINC000579186455 904407842 /nfs/dbraw/zinc/40/78/42/904407842.db2.gz BIYVLFGDRIOZCN-INIZCTEOSA-N 1 0 383.414 3.778 20 30 GHEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000889091666 904430537 /nfs/dbraw/zinc/43/05/37/904430537.db2.gz YWSQGGRWBKJSLX-RXVVDRJESA-N 1 0 377.492 3.737 20 30 GHEDRO C=CCn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000579293560 904488412 /nfs/dbraw/zinc/48/84/12/904488412.db2.gz KUNKAHUNLMDRBB-UHFFFAOYSA-N 1 0 390.535 3.706 20 30 GHEDRO CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])N1CCSCC1 ZINC000104169539 904546282 /nfs/dbraw/zinc/54/62/82/904546282.db2.gz FJGLLAJMTSBQRK-UHFFFAOYSA-N 1 0 386.521 3.526 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCOc2cccc(C(F)(F)F)c2)c1 ZINC000104175701 904547732 /nfs/dbraw/zinc/54/77/32/904547732.db2.gz VECMQODFOULDCC-UHFFFAOYSA-N 1 0 383.370 3.528 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171475511 904750214 /nfs/dbraw/zinc/75/02/14/904750214.db2.gz DABRUKJGJFEPQY-KRWDZBQOSA-N 1 0 376.447 3.543 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000779159991 904938844 /nfs/dbraw/zinc/93/88/44/904938844.db2.gz BXPQLOWHWBUGKF-MAUKXSAKSA-N 1 0 390.524 3.864 20 30 GHEDRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCc2ccc(Cl)cc21 ZINC001171719174 904946152 /nfs/dbraw/zinc/94/61/52/904946152.db2.gz OUHWTKBCPMUNEY-OXJNMPFZSA-N 1 0 384.907 3.808 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN([C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001171754983 904988213 /nfs/dbraw/zinc/98/82/13/904988213.db2.gz KYTAKHPVIFNAPW-IQFVJIFQSA-N 1 0 384.564 3.723 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1Cc1ccccc1 ZINC001171734652 905017782 /nfs/dbraw/zinc/01/77/82/905017782.db2.gz PNAJNWMDPBCAHZ-NBGIEHNGSA-N 1 0 388.559 3.775 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H]1Cc3cccc(F)c3C1)CC2 ZINC001171794396 905053048 /nfs/dbraw/zinc/05/30/48/905053048.db2.gz AMFPZKGZBVWIBH-GOSISDBHSA-N 1 0 381.495 3.660 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CC12CCC2 ZINC001171838687 905088580 /nfs/dbraw/zinc/08/85/80/905088580.db2.gz ILAXYIZPZWZRKV-GOSISDBHSA-N 1 0 385.508 3.849 20 30 GHEDRO N#Cc1cnc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)s1 ZINC001171988220 905251801 /nfs/dbraw/zinc/25/18/01/905251801.db2.gz DWPBUYMGCDZOGM-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001172307984 905465523 /nfs/dbraw/zinc/46/55/23/905465523.db2.gz RWDXRBDTCSVRAQ-QMHKHESXSA-N 1 0 395.453 3.896 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001172290320 905480567 /nfs/dbraw/zinc/48/05/67/905480567.db2.gz ADMOZSSBHMQRJX-MAUKXSAKSA-N 1 0 393.478 3.971 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C#N)c1 ZINC000175445838 905566153 /nfs/dbraw/zinc/56/61/53/905566153.db2.gz DRTBYQOYKUTSIT-JOCHJYFZSA-N 1 0 376.504 3.612 20 30 GHEDRO C[C@@H](CCCC#N)[N@H+]1CCc2nc(C(=O)NCc3ccccc3)sc2CC1 ZINC001172495499 905597979 /nfs/dbraw/zinc/59/79/79/905597979.db2.gz QNFNBTASLGDHFB-INIZCTEOSA-N 1 0 382.533 3.556 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC(c2cc3c(ncn3C)c(-c3cnn(C)c3)n2)CC1 ZINC001172497381 905599793 /nfs/dbraw/zinc/59/97/93/905599793.db2.gz BJTZJBNIBPNQHN-MRXNPFEDSA-N 1 0 391.523 3.631 20 30 GHEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001172509468 905603926 /nfs/dbraw/zinc/60/39/26/905603926.db2.gz XCOPRFGYCJBXKR-UXHICEINSA-N 1 0 382.589 3.902 20 30 GHEDRO [NH2+]=C(N[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1)c1ccc(Cl)cn1 ZINC001172514139 905607655 /nfs/dbraw/zinc/60/76/55/905607655.db2.gz GGEIJIUIZNRVIB-LNLFQRSKSA-N 1 0 396.922 3.771 20 30 GHEDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000175864307 905687674 /nfs/dbraw/zinc/68/76/74/905687674.db2.gz LPGKQPPEELHMRN-XWXLMPLOSA-N 1 0 378.538 3.547 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2)C1 ZINC001172749485 905788144 /nfs/dbraw/zinc/78/81/44/905788144.db2.gz LIFWIAASYPAZOU-SFHVURJKSA-N 1 0 380.529 3.607 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@@H](C)Cc1ccc(F)cc1Cl)CC2 ZINC001172867598 905883169 /nfs/dbraw/zinc/88/31/69/905883169.db2.gz OMBSIOFZSTWIOD-AWEZNQCLSA-N 1 0 377.891 3.905 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000628129914 905975631 /nfs/dbraw/zinc/97/56/31/905975631.db2.gz AWSIKNMGCWMQJO-SFHVURJKSA-N 1 0 394.943 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)nc2)C[C@H]1C#N ZINC001172966726 906027740 /nfs/dbraw/zinc/02/77/40/906027740.db2.gz PRIWUGHYZPKOEE-CABCVRRESA-N 1 0 398.429 3.524 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@H]1C#N ZINC001172968819 906031506 /nfs/dbraw/zinc/03/15/06/906031506.db2.gz OSIGRWLHLWUKMT-ZQIUZPCESA-N 1 0 375.444 3.531 20 30 GHEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001173090005 906148623 /nfs/dbraw/zinc/14/86/23/906148623.db2.gz ZFCVDMPGYIUYFI-OAHLLOKOSA-N 1 0 390.409 3.605 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000177866335 906233070 /nfs/dbraw/zinc/23/30/70/906233070.db2.gz HQTPNPNHPDLWIN-LJQANCHMSA-N 1 0 398.551 3.775 20 30 GHEDRO CCc1ccc(C[C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173240822 906353972 /nfs/dbraw/zinc/35/39/72/906353972.db2.gz JMSVTCXNSXWXJF-SFHVURJKSA-N 1 0 375.516 3.946 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)CC1 ZINC001173320670 906370338 /nfs/dbraw/zinc/37/03/38/906370338.db2.gz CEOPNYLOGCVOED-HRTMPFAESA-N 1 0 386.536 3.736 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H]([NH2+]C1CCC(CC#N)CC1)CCO2 ZINC001173326041 906373738 /nfs/dbraw/zinc/37/37/38/906373738.db2.gz RATLJPROLAHJBB-PKZBPHAMSA-N 1 0 377.529 3.607 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001173325404 906373857 /nfs/dbraw/zinc/37/38/57/906373857.db2.gz LNRSXWJXKYXOFS-UHFFFAOYSA-N 1 0 382.508 3.658 20 30 GHEDRO N#CCC1CCC([NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)CC1 ZINC001173333643 906376916 /nfs/dbraw/zinc/37/69/16/906376916.db2.gz QVFBCWHMYSLEPV-UHFFFAOYSA-N 1 0 380.536 3.872 20 30 GHEDRO N#CCC1CCC([NH2+]C2(Cc3ccccc3Cl)CCS(=O)(=O)CC2)CC1 ZINC001173334132 906377690 /nfs/dbraw/zinc/37/76/90/906377690.db2.gz SWKMETLCQDQTDT-UHFFFAOYSA-N 1 0 394.968 3.892 20 30 GHEDRO N#CCC1CCC([NH+]2CCC(n3cc(I)cn3)CC2)CC1 ZINC001173338661 906378939 /nfs/dbraw/zinc/37/89/39/906378939.db2.gz GNGPGBXHYCPZOV-UHFFFAOYSA-N 1 0 398.292 3.597 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+]2C1CCC(CC#N)CC1 ZINC001173336062 906379549 /nfs/dbraw/zinc/37/95/49/906379549.db2.gz LWUWIKPARCQAKN-UHFFFAOYSA-N 1 0 377.529 3.561 20 30 GHEDRO CN(C)CC[N@H+](C1CCC(CC#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173340635 906381252 /nfs/dbraw/zinc/38/12/52/906381252.db2.gz JCUWIJADCGQXMV-SOAGJPPSSA-N 1 0 392.588 3.722 20 30 GHEDRO C=CCOC1CCC(N[C@@H](Cc2ccccc2Br)C(=O)OC)CC1 ZINC001173319813 906389025 /nfs/dbraw/zinc/38/90/25/906389025.db2.gz XAEZNBMERXFEHR-HTWSVDAQSA-N 1 0 396.325 3.637 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC001173422174 906456083 /nfs/dbraw/zinc/45/60/83/906456083.db2.gz JJGWHRCGPAOIJV-UHFFFAOYSA-N 1 0 385.414 3.554 20 30 GHEDRO CC(C)Oc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173421693 906456773 /nfs/dbraw/zinc/45/67/73/906456773.db2.gz AUGBPCDELAIBNY-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1OC ZINC001173424741 906460318 /nfs/dbraw/zinc/46/03/18/906460318.db2.gz JKODIOCZPWNICK-NRFANRHFSA-N 1 0 377.488 3.912 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c(F)c1 ZINC001173427408 906463343 /nfs/dbraw/zinc/46/33/43/906463343.db2.gz UWWAPCXVYNYWJM-HNNXBMFYSA-N 1 0 381.451 3.661 20 30 GHEDRO Cc1ccc2cccc(C[NH2+]C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c2n1 ZINC001173428904 906465021 /nfs/dbraw/zinc/46/50/21/906465021.db2.gz NDSIXRJIOFKUDX-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO COc1ccccc1C1([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCC1 ZINC001173428027 906465163 /nfs/dbraw/zinc/46/51/63/906465163.db2.gz KFQVLCVLFKIGHV-UHFFFAOYSA-N 1 0 389.499 3.840 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](c4cccc(F)c4)C3)CC2)cc1 ZINC001173433770 906470344 /nfs/dbraw/zinc/47/03/44/906470344.db2.gz WETPCRJAROOPAI-HXUWFJFHSA-N 1 0 377.463 3.791 20 30 GHEDRO C=CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1)c1ccccc1 ZINC001173505574 906509630 /nfs/dbraw/zinc/50/96/30/906509630.db2.gz FPJKCXNXJWGXSZ-VSKRKVRLSA-N 1 0 392.499 3.740 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[C@H](CC(=O)OCC)C3)C2)CC1 ZINC001173639833 906623786 /nfs/dbraw/zinc/62/37/86/906623786.db2.gz ISNZEEZUQKKQCK-OALUTQOASA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[C@H](CC(=O)OCC)C3)CC2)C1 ZINC001173641405 906626145 /nfs/dbraw/zinc/62/61/45/906626145.db2.gz OONJAHZMTNCPGT-RBUKOAKNSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)Cc1ccc(C(=O)OC)cc1)[C@H]2CC ZINC001173723346 906673306 /nfs/dbraw/zinc/67/33/06/906673306.db2.gz QICGKEHLDXGPGO-ZHRMCQFGSA-N 1 0 398.547 3.826 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180052212 906677369 /nfs/dbraw/zinc/67/73/69/906677369.db2.gz XTJRBDPTSMXZOU-UYAOXDASSA-N 1 0 392.503 3.963 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180052196 906677405 /nfs/dbraw/zinc/67/74/05/906677405.db2.gz XTJRBDPTSMXZOU-AZUAARDMSA-N 1 0 392.503 3.963 20 30 GHEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000180621799 906802478 /nfs/dbraw/zinc/80/24/78/906802478.db2.gz RUNXAZYWTURNMJ-QGZVFWFLSA-N 1 0 392.425 3.989 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(C(=O)NC(C)(C)C)cc3)cc2C#N)CC1 ZINC001174126654 906832848 /nfs/dbraw/zinc/83/28/48/906832848.db2.gz RJMXCIQQBFSGNB-UHFFFAOYSA-N 1 0 391.519 3.582 20 30 GHEDRO Cc1cc(C)c(NC(=O)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000181395070 906990756 /nfs/dbraw/zinc/99/07/56/906990756.db2.gz IDOBAYYAGLMZSX-UHFFFAOYSA-N 1 0 390.531 3.676 20 30 GHEDRO COc1ccc(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181583210 907031479 /nfs/dbraw/zinc/03/14/79/907031479.db2.gz QMTQLDQBOVAACJ-UHFFFAOYSA-N 1 0 393.531 3.762 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182935402 907295190 /nfs/dbraw/zinc/29/51/90/907295190.db2.gz ULADATIJJUFGRD-WIYYLYMNSA-N 1 0 380.536 3.909 20 30 GHEDRO CN1CCCC[C@H]([N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)C1=O ZINC001175164701 907413552 /nfs/dbraw/zinc/41/35/52/907413552.db2.gz NKIZZZUQVFQHSB-QFIPXVFZSA-N 1 0 375.516 3.829 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)c(C#N)c1C ZINC001175353406 907514665 /nfs/dbraw/zinc/51/46/65/907514665.db2.gz YIFYPJJZRDHKHX-HKUYNNGSSA-N 1 0 386.540 3.682 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001175632032 907651322 /nfs/dbraw/zinc/65/13/22/907651322.db2.gz XAHTVIVOQAZLKP-JTSKRJEESA-N 1 0 393.572 3.694 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC3(CCCCO3)CC2)c1 ZINC001175660442 907678746 /nfs/dbraw/zinc/67/87/46/907678746.db2.gz FETBDHUQGSSLOX-HXUWFJFHSA-N 1 0 383.536 3.974 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3sc(C(=O)OC)c(C)c3C#N)cc2)CC1 ZINC001175779697 907740592 /nfs/dbraw/zinc/74/05/92/907740592.db2.gz QBTHVTNABNZRIG-UHFFFAOYSA-N 1 0 384.505 3.600 20 30 GHEDRO N#Cc1ccc(Br)cc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176382726 908060758 /nfs/dbraw/zinc/06/07/58/908060758.db2.gz FZQNRBFEFFBHOS-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO N#Cc1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)ccc1N1CCCC1 ZINC001176382775 908061095 /nfs/dbraw/zinc/06/10/95/908061095.db2.gz ILIQSBMNNFNWBW-UHFFFAOYSA-N 1 0 376.504 3.777 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000188779898 908248387 /nfs/dbraw/zinc/24/83/87/908248387.db2.gz ZYRJEPXDFUIBIA-MOPGFXCFSA-N 1 0 399.539 3.882 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C1(C)CC1 ZINC001176767368 908258321 /nfs/dbraw/zinc/25/83/21/908258321.db2.gz HLYCMEPTKPGPEO-MRXNPFEDSA-N 1 0 376.504 3.944 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001176855799 908297380 /nfs/dbraw/zinc/29/73/80/908297380.db2.gz JCIXXZMMOQWWHH-PMPSAXMXSA-N 1 0 387.549 3.574 20 30 GHEDRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCNc1ccc(C#N)cn1 ZINC001177204867 908447917 /nfs/dbraw/zinc/44/79/17/908447917.db2.gz YCXVXMBKTOPNNE-UHFFFAOYSA-N 1 0 394.910 3.670 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)C2=O)cc1 ZINC000190602974 908507185 /nfs/dbraw/zinc/50/71/85/908507185.db2.gz KGFBGAPWKWJKRF-LEWJYISDSA-N 1 0 387.483 3.695 20 30 GHEDRO COc1ccc(NC(=S)NN=C(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779757477 908618888 /nfs/dbraw/zinc/61/88/88/908618888.db2.gz BGIIIYGPJPFJKH-GOSISDBHSA-N 1 0 382.533 3.880 20 30 GHEDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001177880927 908812530 /nfs/dbraw/zinc/81/25/30/908812530.db2.gz VVEARSADMAALEW-IBGZPJMESA-N 1 0 389.293 3.931 20 30 GHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC001178209546 908942529 /nfs/dbraw/zinc/94/25/29/908942529.db2.gz WOOFWAKSPNHOEI-KBPBESRZSA-N 1 0 377.428 3.693 20 30 GHEDRO Cc1coc(NC(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)c1C#N ZINC001178329458 909001472 /nfs/dbraw/zinc/00/14/72/909001472.db2.gz PIVVWEWOSRDBTO-LEWJYISDSA-N 1 0 386.455 3.709 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)c(O)c1 ZINC001178332789 909003764 /nfs/dbraw/zinc/00/37/64/909003764.db2.gz LJWXHCOKJLCOIK-LEWJYISDSA-N 1 0 398.466 3.513 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001178584516 909107238 /nfs/dbraw/zinc/10/72/38/909107238.db2.gz JRALQVKMSHTMIP-PXNSSMCTSA-N 1 0 375.900 3.686 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C#Cc1ccc(F)cc1F ZINC001178574657 909129042 /nfs/dbraw/zinc/12/90/42/909129042.db2.gz WPLHTLVKOLOQSX-NRFANRHFSA-N 1 0 382.454 3.733 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC#N)c1 ZINC000266435940 909156551 /nfs/dbraw/zinc/15/65/51/909156551.db2.gz ZDRIIHPZRTWDLN-LJQANCHMSA-N 1 0 378.476 3.575 20 30 GHEDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000773769905 909211690 /nfs/dbraw/zinc/21/16/90/909211690.db2.gz AJUMUNBDJYBTSA-UHFFFAOYSA-N 1 0 376.504 3.865 20 30 GHEDRO Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)cc(C)c1OCc1cccnc1 ZINC000299595842 921496466 /nfs/dbraw/zinc/49/64/66/921496466.db2.gz FOZBTANDHPYWOI-UHFFFAOYSA-N 1 0 394.519 3.585 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000366379585 921552462 /nfs/dbraw/zinc/55/24/62/921552462.db2.gz MVDOVHBGGBQJPJ-GHTZIAJQSA-N 1 0 376.504 3.811 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1C#N ZINC000269874956 910373048 /nfs/dbraw/zinc/37/30/48/910373048.db2.gz ZOGHEPJWYSMTIT-MSOLQXFVSA-N 1 0 399.495 3.606 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000270105486 910441671 /nfs/dbraw/zinc/44/16/71/910441671.db2.gz HWVXKTYHLHASFQ-QDXKXIGTSA-N 1 0 383.439 3.608 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC001202782841 910490746 /nfs/dbraw/zinc/49/07/46/910490746.db2.gz FZSYRBMHGPKNCY-YUXAGFNASA-N 1 0 389.503 3.718 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000366410544 921581646 /nfs/dbraw/zinc/58/16/46/921581646.db2.gz YXKXUIWCYQYQLD-LJQANCHMSA-N 1 0 391.515 3.842 20 30 GHEDRO N#CC1(CC(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)CCCCC1 ZINC001181355082 910721422 /nfs/dbraw/zinc/72/14/22/910721422.db2.gz WBHTWGHUYKSYPG-UHFFFAOYSA-N 1 0 377.492 3.579 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246983455 910829999 /nfs/dbraw/zinc/82/99/99/910829999.db2.gz WAMJHNUZJDHEPA-GQWLDOHISA-N 1 0 381.451 3.612 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000247106457 910969964 /nfs/dbraw/zinc/96/99/64/910969964.db2.gz ORQASLZHSBKWER-NHCUHLMSSA-N 1 0 382.552 3.581 20 30 GHEDRO C#C[C@H]([NH2+]CC1(C)CCN(C(=O)OCC)CC1)c1ccc(Br)cc1 ZINC001182030850 911136662 /nfs/dbraw/zinc/13/66/62/911136662.db2.gz CQQVKVAAILLHJE-KRWDZBQOSA-N 1 0 393.325 3.972 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1)CC(C)C ZINC000774232365 911508318 /nfs/dbraw/zinc/50/83/18/911508318.db2.gz CKANRODESPAIEQ-UHFFFAOYSA-N 1 0 388.531 3.987 20 30 GHEDRO N#Cc1cccc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001182340185 911508476 /nfs/dbraw/zinc/50/84/76/911508476.db2.gz IAEZUCYJXMZYLI-XJTUCQONSA-N 1 0 389.543 3.912 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCCCOc2ccccc2C#N)C1 ZINC001182344664 911518325 /nfs/dbraw/zinc/51/83/25/911518325.db2.gz KJDYZQOKYMACSZ-QFIPXVFZSA-N 1 0 391.515 3.664 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC2(C)CC2)cc1 ZINC000283965571 911706751 /nfs/dbraw/zinc/70/67/51/911706751.db2.gz GGFFUZVBBUUTSN-UHFFFAOYSA-O 1 0 398.508 3.916 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000774397862 911710921 /nfs/dbraw/zinc/71/09/21/911710921.db2.gz UPUIIKMRKAMTTK-DZGCQCFKSA-N 1 0 378.394 3.508 20 30 GHEDRO CC(C)c1nn(C)c(Cl)c1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092854529 911865018 /nfs/dbraw/zinc/86/50/18/911865018.db2.gz JZGFLVXYTWEVCK-UHFFFAOYSA-N 1 0 387.915 3.943 20 30 GHEDRO C[C@H](C(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)c1ccc(C#N)cc1 ZINC001182791709 912024214 /nfs/dbraw/zinc/02/42/14/912024214.db2.gz MRTVQTPHFXMTAK-IBGZPJMESA-N 1 0 388.515 3.571 20 30 GHEDRO CC(C)(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000284982944 912104356 /nfs/dbraw/zinc/10/43/56/912104356.db2.gz BWXBJAWIHIVSRJ-UHFFFAOYSA-N 1 0 393.506 3.798 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291112883 914985944 /nfs/dbraw/zinc/98/59/44/914985944.db2.gz SYLMPZOTOGWVCN-SFHVURJKSA-N 1 0 391.519 3.807 20 30 GHEDRO N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Br)cc1 ZINC001275590789 915101730 /nfs/dbraw/zinc/10/17/30/915101730.db2.gz YXWPSGKRVSDXRU-IBGZPJMESA-N 1 0 390.325 3.710 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCCSc2ccc(Cl)cc2)cc1OC ZINC000303776127 915122366 /nfs/dbraw/zinc/12/23/66/915122366.db2.gz HMKTVJMFWWZLGB-UHFFFAOYSA-N 1 0 393.940 3.596 20 30 GHEDRO CCOc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000303873153 915232189 /nfs/dbraw/zinc/23/21/89/915232189.db2.gz CGTCOAJWMGUMKQ-UHFFFAOYSA-N 1 0 383.370 3.919 20 30 GHEDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000366815241 921759639 /nfs/dbraw/zinc/75/96/39/921759639.db2.gz ZOJOGAJSDORTDC-PWHSHALESA-N 1 0 394.519 3.622 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCCOc2ccc(Cl)cc2C)c1 ZINC000303882844 915296114 /nfs/dbraw/zinc/29/61/14/915296114.db2.gz LXACNUQNLLXJKE-UHFFFAOYSA-N 1 0 377.872 3.861 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2ccc(F)c(Br)c2)c1 ZINC000303896401 915302913 /nfs/dbraw/zinc/30/29/13/915302913.db2.gz ULIMBNYHHKNVIC-UHFFFAOYSA-N 1 0 396.260 3.575 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000303906164 915307164 /nfs/dbraw/zinc/30/71/64/915307164.db2.gz ZTHCWAOWHGWSKV-HXUWFJFHSA-N 1 0 396.491 3.518 20 30 GHEDRO C[C@]12CN(c3cc(C#N)c(Br)cn3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001187541771 915340433 /nfs/dbraw/zinc/34/04/33/915340433.db2.gz OERAHUYIPKMPPB-XLIONFOSSA-N 1 0 397.320 3.674 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCNc2nccc(C(F)(F)F)n2)cc1 ZINC000304757973 915674071 /nfs/dbraw/zinc/67/40/71/915674071.db2.gz PLXBGLLDBSERMM-GFCCVEGCSA-N 1 0 380.418 3.848 20 30 GHEDRO [NH2+]=C(NCCc1csc(-c2ccccc2)n1)N[C@@H]1CCOc2ccccc21 ZINC000304831083 915722655 /nfs/dbraw/zinc/72/26/55/915722655.db2.gz KMELYUOPSBCPBW-GOSISDBHSA-N 1 0 378.501 3.781 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(C)cc2OC(C)(C)C)cc1OC ZINC000304852689 915745110 /nfs/dbraw/zinc/74/51/10/915745110.db2.gz YQLRDXXFQCNDMZ-UHFFFAOYSA-N 1 0 385.508 3.794 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c(C#N)c1C ZINC000292971949 915927863 /nfs/dbraw/zinc/92/78/63/915927863.db2.gz MKFXIBOSHYMZAL-KGLIPLIRSA-N 1 0 395.438 3.771 20 30 GHEDRO COc1ccc(O[C@@H](C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000305252165 916032201 /nfs/dbraw/zinc/03/22/01/916032201.db2.gz VHNRKGXLTFXGMY-LBPRGKRZSA-N 1 0 383.370 3.788 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(Br)ccc3F)C2)C1=O ZINC001275714263 916295346 /nfs/dbraw/zinc/29/53/46/916295346.db2.gz HFRUJQNJIFHTRF-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000360794720 916323405 /nfs/dbraw/zinc/32/34/05/916323405.db2.gz UQKOIXMIQZZHNO-IIBYNOLFSA-N 1 0 393.487 3.590 20 30 GHEDRO COc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1OCCCC#N ZINC000293778196 916375694 /nfs/dbraw/zinc/37/56/94/916375694.db2.gz ZBMRSZSGHMFWIE-OAQYLSRUSA-N 1 0 383.492 3.622 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001189094681 916400363 /nfs/dbraw/zinc/40/03/63/916400363.db2.gz GQUNIJCMUMYOSU-NRFANRHFSA-N 1 0 377.488 3.597 20 30 GHEDRO [NH2+]=C(NCc1ccccc1N1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000305801357 916443177 /nfs/dbraw/zinc/44/31/77/916443177.db2.gz HWWYMVOUDULITR-UHFFFAOYSA-N 1 0 380.492 3.765 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001189176907 916475300 /nfs/dbraw/zinc/47/53/00/916475300.db2.gz NGIRJANAVIERMT-UHFFFAOYSA-N 1 0 377.564 3.709 20 30 GHEDRO Cc1ccccc1[C@H](O)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000796406569 916596769 /nfs/dbraw/zinc/59/67/69/916596769.db2.gz HRUVFNCHWSUBTK-HSZRJFAPSA-N 1 0 377.488 3.641 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000775259213 916702045 /nfs/dbraw/zinc/70/20/45/916702045.db2.gz HKYFAHXLFZGLBO-ZDUSSCGKSA-N 1 0 387.386 3.967 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cnc1C(F)(F)F ZINC000294414129 916794799 /nfs/dbraw/zinc/79/47/99/916794799.db2.gz DELMLNFOCIXUBN-UHFFFAOYSA-N 1 0 394.441 3.700 20 30 GHEDRO N#CCOc1ccccc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294651033 916912196 /nfs/dbraw/zinc/91/21/96/916912196.db2.gz QUGSNODQDAIZTC-UHFFFAOYSA-N 1 0 389.499 3.717 20 30 GHEDRO N#Cc1c(Cl)c(F)cc(C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)c1Cl ZINC001189836052 916958626 /nfs/dbraw/zinc/95/86/26/916958626.db2.gz JLCHCJSBSJKWFE-UHFFFAOYSA-N 1 0 382.266 3.562 20 30 GHEDRO CCC(=O)c1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000650902994 917331944 /nfs/dbraw/zinc/33/19/44/917331944.db2.gz HCWJUIKMYOCYAU-UHFFFAOYSA-N 1 0 375.472 3.545 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000775398954 917416617 /nfs/dbraw/zinc/41/66/17/917416617.db2.gz OZDXOTYGVGSWRQ-XLIONFOSSA-N 1 0 380.488 3.544 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295822054 917524573 /nfs/dbraw/zinc/52/45/73/917524573.db2.gz AIFBIQMBMPUMKW-LEWJYISDSA-N 1 0 395.551 3.664 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1F ZINC000796464230 917545790 /nfs/dbraw/zinc/54/57/90/917545790.db2.gz CSOIISMFAUDIQK-LJQANCHMSA-N 1 0 381.451 3.836 20 30 GHEDRO COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccc(C(C)(C)C#N)c2)C1 ZINC001190957353 917696382 /nfs/dbraw/zinc/69/63/82/917696382.db2.gz SRBIRPBFLOKFPN-FQEVSTJZSA-N 1 0 377.488 3.501 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccncc1 ZINC000796482694 917697529 /nfs/dbraw/zinc/69/75/29/917697529.db2.gz NVYKYWCZCKCZMX-WOJBJXKFSA-N 1 0 385.458 3.972 20 30 GHEDRO C#Cc1ccccc1C(=O)Nc1cccc(C[NH+]2CCC(C(=O)OCC)CC2)c1 ZINC001191116705 917765342 /nfs/dbraw/zinc/76/53/42/917765342.db2.gz RJASEQARHSCTFF-UHFFFAOYSA-N 1 0 390.483 3.695 20 30 GHEDRO CCC[N@H+](CCOc1ccccc1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114197982 919385391 /nfs/dbraw/zinc/38/53/91/919385391.db2.gz GWEXLGURZPTDDR-UHFFFAOYSA-N 1 0 393.535 3.725 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+](CC2CC2)CC2CC2)c1C#N ZINC000115564564 919454705 /nfs/dbraw/zinc/45/47/05/919454705.db2.gz SAUOTBXWLRBFGE-UHFFFAOYSA-N 1 0 380.492 3.678 20 30 GHEDRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1c(Cl)cccc1Cl ZINC000115599560 919456987 /nfs/dbraw/zinc/45/69/87/919456987.db2.gz BYACKTJYLHUPOO-QGZVFWFLSA-N 1 0 376.287 3.959 20 30 GHEDRO CC(C)(C)c1ccc(N2CCC([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000115598006 919459762 /nfs/dbraw/zinc/45/97/62/919459762.db2.gz LKTQUIOFMHTRGF-JOCHJYFZSA-N 1 0 390.531 3.641 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000116602269 919512612 /nfs/dbraw/zinc/51/26/12/919512612.db2.gz QVIGBEJREMBYEF-OAHLLOKOSA-N 1 0 384.505 3.688 20 30 GHEDRO C[NH+]1CCC(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000117006085 919528967 /nfs/dbraw/zinc/52/89/67/919528967.db2.gz LMAIERCTAWKBAV-UHFFFAOYSA-N 1 0 396.466 3.740 20 30 GHEDRO O=C(c1cccc([N+](=O)[O-])c1)C(C(=S)NCc1ccccc1)[n+]1ccccc1 ZINC000020834500 919665315 /nfs/dbraw/zinc/66/53/15/919665315.db2.gz VRUUMGNORFSYKI-UHFFFAOYSA-O 1 0 392.460 3.611 20 30 GHEDRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000900191353 919976214 /nfs/dbraw/zinc/97/62/14/919976214.db2.gz DJNIRKKJSBLUIN-QHCPKHFHSA-N 1 0 390.531 3.697 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000800497066 920185861 /nfs/dbraw/zinc/18/58/61/920185861.db2.gz XFEDXXWJRSEORY-UGSOOPFHSA-N 1 0 375.266 3.736 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000800502539 920196153 /nfs/dbraw/zinc/19/61/53/920196153.db2.gz DCTTXNQUYVDXMN-QFIPXVFZSA-N 1 0 382.529 3.573 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364982383 920265316 /nfs/dbraw/zinc/26/53/16/920265316.db2.gz GAYGDKQNVDZRFD-XLIONFOSSA-N 1 0 379.529 3.943 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc2c(c1)OCO2 ZINC000007926525 920566694 /nfs/dbraw/zinc/56/66/94/920566694.db2.gz FWHIKVKAIQHBGF-UHFFFAOYSA-N 1 0 397.500 3.688 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000802149173 921864889 /nfs/dbraw/zinc/86/48/89/921864889.db2.gz XOUCSXMJVHSJQI-WZONZLPQSA-N 1 0 396.462 3.850 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)o2)cc1 ZINC000367583597 922214603 /nfs/dbraw/zinc/21/46/03/922214603.db2.gz DJVWHRNCEGIIKI-XMMPIXPASA-N 1 0 399.498 3.706 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000368330612 922603125 /nfs/dbraw/zinc/60/31/25/922603125.db2.gz XDCNALGIKZVLFB-IAGOWNOFSA-N 1 0 387.549 3.910 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1COc2ccccc2C1 ZINC000903042605 922724578 /nfs/dbraw/zinc/72/45/78/922724578.db2.gz FMHDZXWJIXXKPW-PGRDOPGGSA-N 1 0 375.516 3.752 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC2(CCOCC2)C1 ZINC000903149123 922809473 /nfs/dbraw/zinc/80/94/73/922809473.db2.gz PVROWJVOYCJWKQ-WBTXTPOCSA-N 1 0 391.556 3.855 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000369203807 923202546 /nfs/dbraw/zinc/20/25/46/923202546.db2.gz CXERHBZWBQZESH-QFBILLFUSA-N 1 0 387.549 3.816 20 30 GHEDRO C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369470715 923359209 /nfs/dbraw/zinc/35/92/09/923359209.db2.gz WRLQWLAIPKCUFV-QGPMSJSTSA-N 1 0 396.457 3.889 20 30 GHEDRO N#Cc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(F)c1 ZINC000803906114 923363700 /nfs/dbraw/zinc/36/37/00/923363700.db2.gz BPRVMNZHPHZTPW-GOSISDBHSA-N 1 0 388.389 3.898 20 30 GHEDRO N#Cc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1F ZINC000803906466 923363739 /nfs/dbraw/zinc/36/37/39/923363739.db2.gz KLAVPSVICLFZEZ-GOSISDBHSA-N 1 0 388.389 3.898 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000369649218 923513200 /nfs/dbraw/zinc/51/32/00/923513200.db2.gz RSHFIBXJBLQAQW-CMKODMSKSA-N 1 0 375.561 3.579 20 30 GHEDRO N#CC1(CCC[NH+]2CCC(COc3ccc(Cl)nc3)CC2)CCOCC1 ZINC000369707402 923558270 /nfs/dbraw/zinc/55/82/70/923558270.db2.gz SLGJHXLVWKRLFN-UHFFFAOYSA-N 1 0 377.916 3.926 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)CC1 ZINC000748507008 923697929 /nfs/dbraw/zinc/69/79/29/923697929.db2.gz IISAYOQJBZYHCA-UHFFFAOYSA-N 1 0 389.503 3.511 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000370826678 924317112 /nfs/dbraw/zinc/31/71/12/924317112.db2.gz NBMKBINYVGUJEL-LEOXJPRUSA-N 1 0 389.499 3.549 20 30 GHEDRO N#CCC1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000543807346 924327161 /nfs/dbraw/zinc/32/71/61/924327161.db2.gz KSHYSIDVLJHPFC-UHFFFAOYSA-N 1 0 379.426 3.822 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000371336488 924533622 /nfs/dbraw/zinc/53/36/22/924533622.db2.gz PNHXPUFLNJGDPO-AWEZNQCLSA-N 1 0 389.297 3.774 20 30 GHEDRO N#CC1(NC(=O)c2ccccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000371543258 924650358 /nfs/dbraw/zinc/65/03/58/924650358.db2.gz NJUNNSAAYXQYOG-UHFFFAOYSA-N 1 0 398.304 3.737 20 30 GHEDRO N#C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC12CCCC2 ZINC000827096491 924737614 /nfs/dbraw/zinc/73/76/14/924737614.db2.gz WOHRHYYDCMNHDM-UTKZUKDTSA-N 1 0 387.911 3.600 20 30 GHEDRO COc1cccc(NC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2ccccc2)c1 ZINC000011260528 924764218 /nfs/dbraw/zinc/76/42/18/924764218.db2.gz SJHPGDGDQUSRFW-UHFFFAOYSA-O 1 0 394.520 3.989 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1C#N ZINC000827225099 925050450 /nfs/dbraw/zinc/05/04/50/925050450.db2.gz PUIVSRFJRZVOKR-LJQANCHMSA-N 1 0 384.480 3.862 20 30 GHEDRO CC(C)(C)c1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)[nH]1 ZINC001137379619 925191863 /nfs/dbraw/zinc/19/18/63/925191863.db2.gz YIGGHDANBIQMGV-UHFFFAOYSA-N 1 0 379.508 3.970 20 30 GHEDRO N#CC1(CCC[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CCOCC1 ZINC000410424734 925630194 /nfs/dbraw/zinc/63/01/94/925630194.db2.gz UCZUUOKCBIHTTA-UHFFFAOYSA-N 1 0 388.487 3.512 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccs1 ZINC000411140775 926123534 /nfs/dbraw/zinc/12/35/34/926123534.db2.gz UFYAUNYWIFETFT-UHFFFAOYSA-N 1 0 375.450 3.682 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000373649373 926312865 /nfs/dbraw/zinc/31/28/65/926312865.db2.gz ULZKVLBVFXFPHR-UZLBHIALSA-N 1 0 375.538 3.910 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411354989 926325876 /nfs/dbraw/zinc/32/58/76/926325876.db2.gz LRPDQFJXVVNOMJ-UHFFFAOYSA-N 1 0 391.515 3.833 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000411368659 926342776 /nfs/dbraw/zinc/34/27/76/926342776.db2.gz OUBGRXRDJWKVRX-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4ccccc4C#N)C3)nc2c1 ZINC000411411733 926371307 /nfs/dbraw/zinc/37/13/07/926371307.db2.gz GXPHFPFIBXLYSG-SFHVURJKSA-N 1 0 387.487 3.951 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000411675536 926624155 /nfs/dbraw/zinc/62/41/55/926624155.db2.gz OPCDJHRIPZYKPW-UHFFFAOYSA-N 1 0 395.503 3.631 20 30 GHEDRO C[NH+](C)CCOc1cccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000726467879 926685929 /nfs/dbraw/zinc/68/59/29/926685929.db2.gz DXAJTMVSHRTWGT-UHFFFAOYSA-N 1 0 388.924 3.639 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C12CCCC2 ZINC000411721918 926695222 /nfs/dbraw/zinc/69/52/22/926695222.db2.gz PQLMBEZZGNVASJ-ZWKOTPCHSA-N 1 0 387.549 3.764 20 30 GHEDRO CC(C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1[N+](=O)[O-] ZINC000411761703 926741055 /nfs/dbraw/zinc/74/10/55/926741055.db2.gz VVDSKWCOYNKDDZ-UHFFFAOYSA-N 1 0 398.488 3.870 20 30 GHEDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000411808708 926803897 /nfs/dbraw/zinc/80/38/97/926803897.db2.gz SKBLNNACYXITPQ-SJORKVTESA-N 1 0 375.538 3.619 20 30 GHEDRO CCN(CCO)c1ccc(C=[NH+]NCc2ccc(Br)cc2)c(C)c1 ZINC000726740239 926824939 /nfs/dbraw/zinc/82/49/39/926824939.db2.gz ZFQVAKVXJTUBRN-UHFFFAOYSA-N 1 0 390.325 3.700 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000374325009 927019123 /nfs/dbraw/zinc/01/91/23/927019123.db2.gz NYMZQKHECYTGOS-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000750597124 927740238 /nfs/dbraw/zinc/74/02/38/927740238.db2.gz DKGOVIIAWXLUEX-GCJKJVERSA-N 1 0 377.488 3.731 20 30 GHEDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000751469460 928207111 /nfs/dbraw/zinc/20/71/11/928207111.db2.gz ZMJXQDXQCMLJOU-IBGZPJMESA-N 1 0 382.533 3.703 20 30 GHEDRO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@@H]1CCCO1 ZINC000467146542 928755666 /nfs/dbraw/zinc/75/56/66/928755666.db2.gz JBNBVEJKFOEZLN-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000467157777 928770050 /nfs/dbraw/zinc/77/00/50/928770050.db2.gz JJFYEUUWNKQVIE-KRWDZBQOSA-N 1 0 394.357 3.712 20 30 GHEDRO CCc1nnc(NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c(C#N)c1CC ZINC000467730265 929349580 /nfs/dbraw/zinc/34/95/80/929349580.db2.gz CRVBABXZIVTWEN-HXUWFJFHSA-N 1 0 379.508 3.731 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000753679147 929479265 /nfs/dbraw/zinc/47/92/65/929479265.db2.gz ODLNDISHHAWZDP-XUZZJYLKSA-N 1 0 393.531 3.839 20 30 GHEDRO CC[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000544760105 929546149 /nfs/dbraw/zinc/54/61/49/929546149.db2.gz ZXXDFAAOKNAOLS-NRFANRHFSA-N 1 0 387.487 3.705 20 30 GHEDRO C=CCSCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000544831323 929628624 /nfs/dbraw/zinc/62/86/24/929628624.db2.gz ZHTXWWLZKDPSDY-UHFFFAOYSA-N 1 0 397.382 3.871 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000469281631 929759040 /nfs/dbraw/zinc/75/90/40/929759040.db2.gz YOYDTASECNWARF-MGPUTAFESA-N 1 0 379.508 3.664 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@@H]2SCC)cc1 ZINC000469776008 930155085 /nfs/dbraw/zinc/15/50/85/930155085.db2.gz PFDHKXRGGAOVDN-PMACEKPBSA-N 1 0 389.565 3.986 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](C)C(C)(C)C2)c1=S ZINC000758990739 930239988 /nfs/dbraw/zinc/23/99/88/930239988.db2.gz JZQWYCPGZAUHRV-SFHVURJKSA-N 1 0 391.629 3.954 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(C(C)(C)C)cc1 ZINC000759064599 930261834 /nfs/dbraw/zinc/26/18/34/930261834.db2.gz ZPNKNHZDMYQCGA-UHFFFAOYSA-O 1 0 381.521 3.714 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1nc(C(F)(F)F)ccc1C#N ZINC000470080584 930366101 /nfs/dbraw/zinc/36/61/01/930366101.db2.gz WWVHIVFAVQATRS-UHFFFAOYSA-N 1 0 384.352 3.818 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCCC1 ZINC000546831670 930470223 /nfs/dbraw/zinc/47/02/23/930470223.db2.gz RMTRKIJUWYIVCU-UHFFFAOYSA-N 1 0 398.429 3.743 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000780904310 930634148 /nfs/dbraw/zinc/63/41/48/930634148.db2.gz CDASJJBXUYDIRB-QHCPKHFHSA-N 1 0 391.515 3.673 20 30 GHEDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000781420575 930837111 /nfs/dbraw/zinc/83/71/11/930837111.db2.gz LPUFRZTUNOBRGI-GOSISDBHSA-N 1 0 396.510 3.569 20 30 GHEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000471005270 931089656 /nfs/dbraw/zinc/08/96/56/931089656.db2.gz GCFWJQWLBWABHX-FGZHOGPDSA-N 1 0 383.923 3.516 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000557342923 931358646 /nfs/dbraw/zinc/35/86/46/931358646.db2.gz RMMXAQYRBGTWEK-APWZRJJASA-N 1 0 388.920 3.972 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000783097017 931412496 /nfs/dbraw/zinc/41/24/96/931412496.db2.gz OAOZSBSYBFBFFU-SYYKKAFVSA-N 1 0 375.509 3.850 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000924547087 931415824 /nfs/dbraw/zinc/41/58/24/931415824.db2.gz FFAIPRKPNOXRNX-IEBWSBKVSA-N 1 0 387.524 3.629 20 30 GHEDRO Cc1csc(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000924616380 931447479 /nfs/dbraw/zinc/44/74/79/931447479.db2.gz SFPDENZIDLRHTJ-CQSZACIVSA-N 1 0 378.542 3.861 20 30 GHEDRO COc1ccc([C@@H](CNc2nc3cc(Cl)ccn3c2C#N)[NH+](C)C)cc1OC ZINC000557477489 931459718 /nfs/dbraw/zinc/45/97/18/931459718.db2.gz RMESVBGMCNOLGH-MRXNPFEDSA-N 1 0 399.882 3.591 20 30 GHEDRO Cc1cc(C#N)nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000557602427 931567925 /nfs/dbraw/zinc/56/79/25/931567925.db2.gz OMZNCUCLAIEJGO-YJBOKZPZSA-N 1 0 389.425 3.592 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccco1 ZINC000557712900 931626047 /nfs/dbraw/zinc/62/60/47/931626047.db2.gz JNBJDWRWSCKGOW-GOSISDBHSA-N 1 0 398.532 3.958 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000783811973 931664677 /nfs/dbraw/zinc/66/46/77/931664677.db2.gz WTHVFNFIXKNZMY-UHFFFAOYSA-N 1 0 397.364 3.984 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)c2)c1 ZINC000557842973 931718166 /nfs/dbraw/zinc/71/81/66/931718166.db2.gz DIYASTNNPOONBK-JOCHJYFZSA-N 1 0 392.499 3.955 20 30 GHEDRO N#CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000784329880 931858270 /nfs/dbraw/zinc/85/82/70/931858270.db2.gz ZTVZYMXOPIHHAI-BAGYTPMASA-N 1 0 389.499 3.619 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1OC ZINC000558152747 931860679 /nfs/dbraw/zinc/86/06/79/931860679.db2.gz PTLCDZVYCNOPCN-MSOLQXFVSA-N 1 0 395.503 3.998 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000796706526 932037505 /nfs/dbraw/zinc/03/75/05/932037505.db2.gz XQFPLBATRNFPIZ-LJQANCHMSA-N 1 0 390.531 3.714 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)COCc1ccccc1 ZINC000558569556 932079300 /nfs/dbraw/zinc/07/93/00/932079300.db2.gz ORVQFDKIHQMKEG-GOSISDBHSA-N 1 0 378.394 3.587 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(CF)CCOCC1 ZINC000926528928 932218345 /nfs/dbraw/zinc/21/83/45/932218345.db2.gz SUJLXJBMNMSQJN-QGZVFWFLSA-N 1 0 397.535 3.662 20 30 GHEDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926539384 932221869 /nfs/dbraw/zinc/22/18/69/932221869.db2.gz JPQDAVZKMHBKKJ-NUJGCVRESA-N 1 0 379.545 3.709 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)COc1ccc(C#N)cc1 ZINC000797342267 932256499 /nfs/dbraw/zinc/25/64/99/932256499.db2.gz KSOFSBSMYWAVBV-NRFANRHFSA-N 1 0 378.472 3.781 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000558991000 932359138 /nfs/dbraw/zinc/35/91/38/932359138.db2.gz CPOAPSGBLRIFFG-UHFFFAOYSA-N 1 0 391.466 3.653 20 30 GHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000559248653 932549264 /nfs/dbraw/zinc/54/92/64/932549264.db2.gz XIGITAAJXVMZSQ-JTSKRJEESA-N 1 0 395.478 3.508 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000559293501 932581796 /nfs/dbraw/zinc/58/17/96/932581796.db2.gz XFFCBNVPVBVWKQ-QFIPXVFZSA-N 1 0 388.467 3.667 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000799164496 932895519 /nfs/dbraw/zinc/89/55/19/932895519.db2.gz KMCRWRBDTRIAMA-QZTJIDSGSA-N 1 0 379.545 3.760 20 30 GHEDRO COc1cc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)ccc1C#N ZINC000799341578 932958280 /nfs/dbraw/zinc/95/82/80/932958280.db2.gz RPDLAPMFDVKFPI-QGZVFWFLSA-N 1 0 384.785 3.760 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ccc(C(C)(C)C)nn2)CC1 ZINC001116090052 933329272 /nfs/dbraw/zinc/32/92/72/933329272.db2.gz IBYIPUHMTFWMEW-UHFFFAOYSA-N 1 0 386.931 3.625 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(Cc3c(F)cccc3Cl)C2)CC1 ZINC001116233012 933423988 /nfs/dbraw/zinc/42/39/88/933423988.db2.gz OIHGSCVHHPIMGU-UHFFFAOYSA-N 1 0 379.907 3.704 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3ccc4c(c3)CCC4)CC2)cc1 ZINC001116519031 933606745 /nfs/dbraw/zinc/60/67/45/933606745.db2.gz HWUXNPIGDHGOAU-UHFFFAOYSA-N 1 0 375.516 3.680 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001116541756 933622372 /nfs/dbraw/zinc/62/23/72/933622372.db2.gz LMCIINQNLGWQCS-YJBOKZPZSA-N 1 0 383.319 3.934 20 30 GHEDRO CN1CCO[C@@H]([C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC001116704859 933713904 /nfs/dbraw/zinc/71/39/04/933713904.db2.gz SNHCPSSRDFJRDW-JKYAZJQKSA-N 1 0 395.934 3.925 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000560972636 933744315 /nfs/dbraw/zinc/74/43/15/933744315.db2.gz VZUUWMDSKLZVSB-QRWLVFNGSA-N 1 0 394.475 3.894 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C2(C3CC3)CCOCC2)c1C#N ZINC001117128899 933859695 /nfs/dbraw/zinc/85/96/95/933859695.db2.gz JBBYDMNHYNRXIT-UHFFFAOYSA-N 1 0 384.524 3.579 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC001117687662 933983259 /nfs/dbraw/zinc/98/32/59/933983259.db2.gz VFWNLJHCFYTIHR-OBONGRFPSA-N 1 0 389.268 3.835 20 30 GHEDRO N#CC1CCC(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000930971093 934319469 /nfs/dbraw/zinc/31/94/69/934319469.db2.gz LLDDESMQFXZJHD-OPQOLIRYSA-N 1 0 385.474 3.972 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)C1 ZINC001120037364 934440632 /nfs/dbraw/zinc/44/06/32/934440632.db2.gz DJXCODQSPGMHNS-SFHVURJKSA-N 1 0 390.524 3.615 20 30 GHEDRO C=CCn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121581600 934705209 /nfs/dbraw/zinc/70/52/09/934705209.db2.gz OFTZMVVRMQJORX-LJQANCHMSA-N 1 0 396.583 3.624 20 30 GHEDRO 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RBBGOBFZPJPHQS-UHFFFAOYSA-N 1 0 392.503 3.943 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)CC1 ZINC001226795796 1032132550 /nfs/dbraw/zinc/13/25/50/1032132550.db2.gz BCWZIFBWCQMOGZ-YPAWHYETSA-N 1 0 383.536 3.731 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000469850976 1016638580 /nfs/dbraw/zinc/63/85/80/1016638580.db2.gz XKAPRFGNYMPXNN-ZFWWWQNUSA-N 1 0 383.330 3.582 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000557848911 1017058099 /nfs/dbraw/zinc/05/80/99/1017058099.db2.gz MEBNQDMYWCYSOE-QFIPXVFZSA-N 1 0 378.520 3.692 20 30 GHEDRO C[C@@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)c1ccc(C#N)cc1 ZINC001221502912 1032438945 /nfs/dbraw/zinc/43/89/45/1032438945.db2.gz WDVZHXSKAOJOEE-GOSISDBHSA-N 1 0 376.504 3.973 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 ZINC001221532732 1032450629 /nfs/dbraw/zinc/45/06/29/1032450629.db2.gz MJIPCIHLPIDRHV-UHFFFAOYSA-N 1 0 383.467 3.681 20 30 GHEDRO C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC001221629034 1032489646 /nfs/dbraw/zinc/48/96/46/1032489646.db2.gz PSBCIEGCFBPYCI-SBUREZEXSA-N 1 0 388.515 3.682 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(OCC)c1)C2 ZINC001204186346 1032641191 /nfs/dbraw/zinc/64/11/91/1032641191.db2.gz ZKYVAEKDPNWKCE-FGZHOGPDSA-N 1 0 375.509 3.668 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(F)cc(F)c3)C[C@@H]2c2ccccc2)C1=O ZINC001204229792 1032676632 /nfs/dbraw/zinc/67/66/32/1032676632.db2.gz NBZUIPVYDFSOGF-GGAORHGYSA-N 1 0 382.454 3.969 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000928659333 1017542306 /nfs/dbraw/zinc/54/23/06/1017542306.db2.gz LWCHYSSFYGRWHU-ZWKOTPCHSA-N 1 0 379.529 3.560 20 30 GHEDRO CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000929860432 1017745478 /nfs/dbraw/zinc/74/54/78/1017745478.db2.gz BADKOSKZAVGCIN-FQEVSTJZSA-N 1 0 392.503 3.890 20 30 GHEDRO CC1([NH+]2CCCC2)CCC(NC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000930895614 1017895711 /nfs/dbraw/zinc/89/57/11/1017895711.db2.gz VXOBWFXRBPGZGP-UHFFFAOYSA-N 1 0 385.512 3.683 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)cc1 ZINC001204299569 1032739363 /nfs/dbraw/zinc/73/93/63/1032739363.db2.gz BHWKYKGNLVXHHD-UHFFFAOYSA-N 1 0 378.520 3.924 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000932235742 1018153407 /nfs/dbraw/zinc/15/34/07/1018153407.db2.gz UZEZURVXJANZCY-WBVHZDCISA-N 1 0 382.430 3.535 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2c(C)n(Cc3ccccc3)c3ccccc32)CC1 ZINC001155873059 1032755593 /nfs/dbraw/zinc/75/55/93/1032755593.db2.gz JFIILGPSDWHRIR-UHFFFAOYSA-N 1 0 385.511 3.825 20 30 GHEDRO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cncc(C#N)c2)n1 ZINC000932750488 1018631977 /nfs/dbraw/zinc/63/19/77/1018631977.db2.gz SEKPTPNHXKIDAE-VSOVRNOCSA-N 1 0 396.560 3.808 20 30 GHEDRO CC1(C)OC[C@H](CC[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 ZINC000932945525 1018777781 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1 0 378.476 3.584 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000570173899 1019565181 /nfs/dbraw/zinc/56/51/81/1019565181.db2.gz OIQPUTJPHYCHTG-PKOBYXMFSA-N 1 0 398.304 3.652 20 30 GHEDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000571694057 1019700536 /nfs/dbraw/zinc/70/05/36/1019700536.db2.gz LROANCYJSPJLHT-HDICACEKSA-N 1 0 377.488 3.692 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000572708890 1019798615 /nfs/dbraw/zinc/79/86/15/1019798615.db2.gz QXELTOCKWHOENJ-UTKZUKDTSA-N 1 0 377.488 3.625 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[NH2+]C[C@@H]3c3cccs3)nn2)cc1 ZINC001156088750 1032871127 /nfs/dbraw/zinc/87/11/27/1032871127.db2.gz BFZBSHDBQDJKDW-PKOBYXMFSA-N 1 0 375.501 3.653 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000576911755 1020085527 /nfs/dbraw/zinc/08/55/27/1020085527.db2.gz SMQYVELOBOGRAE-QPPBQGQZSA-N 1 0 393.527 3.839 20 30 GHEDRO C[C@H](OC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000779122625 1020389325 /nfs/dbraw/zinc/38/93/25/1020389325.db2.gz LTVFTHHNQHPZJU-ZDUSSCGKSA-N 1 0 391.899 3.735 20 30 GHEDRO C=CC[C@H]1N(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCCC1(C)C ZINC001156190432 1032917157 /nfs/dbraw/zinc/91/71/57/1032917157.db2.gz MAYPTFGALOAMHN-LJQANCHMSA-N 1 0 384.524 3.510 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1ncnc2c1CC[NH2+]CC2 ZINC001156221717 1032929433 /nfs/dbraw/zinc/92/94/33/1032929433.db2.gz VEBXZNIXXGYBDC-SFHVURJKSA-N 1 0 383.499 3.804 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000192028711 1020841245 /nfs/dbraw/zinc/84/12/45/1020841245.db2.gz ZNUVZPVURFFWEZ-OAHLLOKOSA-N 1 0 382.357 3.588 20 30 GHEDRO COc1cccc(C2(CNC(=[NH2+])NCc3ccc(OC)c(OC)c3)CCCC2)c1 ZINC000304750417 1021154635 /nfs/dbraw/zinc/15/46/35/1021154635.db2.gz IJEINOFRJQLCFV-UHFFFAOYSA-N 1 0 397.519 3.629 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(Br)cc1N)C2 ZINC001140223317 1021186249 /nfs/dbraw/zinc/18/62/49/1021186249.db2.gz XFPPYWKKTGFKHS-RTBURBONSA-N 1 0 395.341 3.605 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000834484005 1021217521 /nfs/dbraw/zinc/21/75/21/1021217521.db2.gz CEVDMAMDTYSERG-JEBQAFNWSA-N 1 0 389.883 3.540 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001203016653 1021220162 /nfs/dbraw/zinc/22/01/62/1021220162.db2.gz ISGBCXHPEBKHOS-UHFFFAOYSA-N 1 0 392.503 3.991 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2nc(C)ccc2CC#N)cc1 ZINC001156293937 1032963025 /nfs/dbraw/zinc/96/30/25/1032963025.db2.gz JRXUGEQRKJKLII-OAQYLSRUSA-N 1 0 378.520 3.956 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000800856358 1021343929 /nfs/dbraw/zinc/34/39/29/1021343929.db2.gz NQRYGCHVAJKMFS-JOCHJYFZSA-N 1 0 390.524 3.866 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834768720 1021454714 /nfs/dbraw/zinc/45/47/14/1021454714.db2.gz XOWLORNSWHRTLE-NGEICVOHSA-N 1 0 399.963 3.546 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC000802654169 1021514830 /nfs/dbraw/zinc/51/48/30/1021514830.db2.gz GGBKZTJXSDCRCB-JOCHJYFZSA-N 1 0 386.540 3.773 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140399675 1021566378 /nfs/dbraw/zinc/56/63/78/1021566378.db2.gz MGXQVVKVVBKDEX-GMAHTHKFSA-N 1 0 397.494 3.856 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)c1 ZINC000834903394 1021654630 /nfs/dbraw/zinc/65/46/30/1021654630.db2.gz PGDXDSJZHZYKBH-ZDUSSCGKSA-N 1 0 379.428 3.524 20 30 GHEDRO CC1(C#N)CCC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000834924011 1021689581 /nfs/dbraw/zinc/68/95/81/1021689581.db2.gz WGWKVEYEFZDCRK-UHFFFAOYSA-N 1 0 383.565 3.575 20 30 GHEDRO COC(=O)C[C@H]1CC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140441412 1021715999 /nfs/dbraw/zinc/71/59/99/1021715999.db2.gz PENHEBCXSQDQGZ-MRXNPFEDSA-N 1 0 397.475 3.681 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000835068304 1021853926 /nfs/dbraw/zinc/85/39/26/1021853926.db2.gz DZTRLBCVCGVYRV-SFTDATJTSA-N 1 0 399.535 3.843 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)cn1 ZINC001140541233 1021939533 /nfs/dbraw/zinc/93/95/33/1021939533.db2.gz AIUYQTSDQVNVMG-RDGATRHJSA-N 1 0 398.510 3.998 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001140599094 1022042363 /nfs/dbraw/zinc/04/23/63/1022042363.db2.gz PPAVHQZPRDCRBZ-JOCHJYFZSA-N 1 0 397.881 3.975 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)ccc3C)C2)C1=O ZINC001140647395 1022149404 /nfs/dbraw/zinc/14/94/04/1022149404.db2.gz YSVWACRSBBQULN-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO COc1cc(-c2nc3ccccc3s2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)N2C ZINC001228684472 1033042948 /nfs/dbraw/zinc/04/29/48/1033042948.db2.gz DFTGKNWLCUQIQE-SINQJGMGSA-N 1 0 394.496 3.963 20 30 GHEDRO CCC[N@@H+]1CCc2c(N)sc(NC(=O)c3cc4cc(C#N)ccc4[nH]3)c2C1 ZINC001156453036 1033039847 /nfs/dbraw/zinc/03/98/47/1033039847.db2.gz HOJSXJCGQTWVGE-UHFFFAOYSA-N 1 0 379.489 3.704 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2nc(Cl)c(F)cc2C#N)C1 ZINC001156464143 1033046619 /nfs/dbraw/zinc/04/66/19/1033046619.db2.gz GDOPKZBCHGNCRJ-CQSZACIVSA-N 1 0 384.959 3.616 20 30 GHEDRO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752649 1022434859 /nfs/dbraw/zinc/43/48/59/1022434859.db2.gz NDOKMBSXQFVWEF-KBPBESRZSA-N 1 0 379.451 3.962 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C1)C2 ZINC001140754969 1022440275 /nfs/dbraw/zinc/44/02/75/1022440275.db2.gz QNUJWICFSFGFTM-UZUQRXQVSA-N 1 0 396.437 3.932 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]2C1 ZINC001140755307 1022440329 /nfs/dbraw/zinc/44/03/29/1022440329.db2.gz ZPSKOGKZGWLCSF-GJZGRUSLSA-N 1 0 377.435 3.525 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3cc(F)c(C#N)c(F)c3)C[C@@H]12 ZINC001140757756 1022447745 /nfs/dbraw/zinc/44/77/45/1022447745.db2.gz RJBRDVHYQGMODE-DHIUTWEWSA-N 1 0 395.453 3.601 20 30 GHEDRO COc1ccc(CN2CCN(c3cccc(C#N)c3)CC2)c(Br)c1 ZINC001140760763 1022461675 /nfs/dbraw/zinc/46/16/75/1022461675.db2.gz SEDKVNSCVMOBFJ-UHFFFAOYSA-N 1 0 386.293 3.652 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1-c1ccccc1 ZINC000754106670 1022485808 /nfs/dbraw/zinc/48/58/08/1022485808.db2.gz SISKZYDVOVTGAR-HXOBKFHXSA-N 1 0 399.498 3.504 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(Br)cc3C#N)cc2)CC1 ZINC001204747534 1033062826 /nfs/dbraw/zinc/06/28/26/1033062826.db2.gz WSCVWWFQBNKZID-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1Cl ZINC001140811170 1022599634 /nfs/dbraw/zinc/59/96/34/1022599634.db2.gz LWPHJPBVMRTAHF-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754723792 1022858847 /nfs/dbraw/zinc/85/88/47/1022858847.db2.gz VTVIIUHKXDDOME-QGZVFWFLSA-N 1 0 390.524 3.866 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cccc(-c3ccc(OC)cc3)n1)CC2 ZINC001140953198 1022987203 /nfs/dbraw/zinc/98/72/03/1022987203.db2.gz VNTQIHAYIITUQJ-UHFFFAOYSA-N 1 0 391.515 3.900 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001140978970 1023070932 /nfs/dbraw/zinc/07/09/32/1023070932.db2.gz VOYPJIFFUBCSSO-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc4cccc(O)c4n3)CC2)C1 ZINC001141018800 1023220170 /nfs/dbraw/zinc/22/01/70/1023220170.db2.gz LDVGHIFTMAWKSX-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(C)c(F)cc3Br)C2)C1=O ZINC001277332603 1033117387 /nfs/dbraw/zinc/11/73/87/1033117387.db2.gz YBFOWEVALRIUKO-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075787 1023438294 /nfs/dbraw/zinc/43/82/94/1023438294.db2.gz AHOUXEQCQWSLKZ-UPVQGACJSA-N 1 0 382.548 3.712 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3sc(N)c(C#N)c3Cl)CC[C@@H]2C1 ZINC001141107242 1023516466 /nfs/dbraw/zinc/51/64/66/1023516466.db2.gz VMUKEQFNMUKSOV-NEPJUHHUSA-N 1 0 396.944 3.544 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4sc(N)c(C#N)c4Cl)C[C@H]3C2)cc1 ZINC001141109032 1023521337 /nfs/dbraw/zinc/52/13/37/1023521337.db2.gz GOCVSPUJHYIWCC-HZPDHXFCSA-N 1 0 386.952 3.728 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113551 1023529356 /nfs/dbraw/zinc/52/93/56/1023529356.db2.gz JXUKRIHOEHZXIP-KRWDZBQOSA-N 1 0 384.933 3.592 20 30 GHEDRO N#Cc1c(N)sc(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)c1Cl ZINC001141113601 1023530210 /nfs/dbraw/zinc/53/02/10/1023530210.db2.gz LUJUJJOUWDYTKX-UHFFFAOYSA-N 1 0 386.952 3.953 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC000756544626 1023708001 /nfs/dbraw/zinc/70/80/01/1023708001.db2.gz VKXWDSRGAOTZLY-SFHVURJKSA-N 1 0 394.446 3.641 20 30 GHEDRO C#CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000757035378 1023914274 /nfs/dbraw/zinc/91/42/74/1023914274.db2.gz MNHXXMGBMMTWLZ-PTUXOGIPSA-N 1 0 375.516 3.961 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccnc3ccc(OC)cc13)C2 ZINC001141148088 1023969627 /nfs/dbraw/zinc/96/96/27/1023969627.db2.gz KFLUKSUQBLAWMA-PKTZIBPZSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccnc3ccc(OC)cc13)C2 ZINC001141148087 1023969778 /nfs/dbraw/zinc/96/97/78/1023969778.db2.gz KFLUKSUQBLAWMA-GOTSBHOMSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(-c3ncccn3)cc1)CCO2 ZINC001141187017 1024044121 /nfs/dbraw/zinc/04/41/21/1024044121.db2.gz QIXZXXRJWFBPLV-JTHBVZDNSA-N 1 0 379.504 3.717 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC001141215002 1024154973 /nfs/dbraw/zinc/15/49/73/1024154973.db2.gz RKMMGYHPFWYQHC-UHFFFAOYSA-N 1 0 382.577 3.602 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(O)ccc1Br)C2 ZINC001138143042 1024223181 /nfs/dbraw/zinc/22/31/81/1024223181.db2.gz WUZFTJYYQMWTMP-RTBURBONSA-N 1 0 396.325 3.728 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(F)cc(C)cc3Br)C2)C1=O ZINC001277348125 1033222751 /nfs/dbraw/zinc/22/27/51/1033222751.db2.gz YTDAQQCRMIFSDS-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC=C)[C@@H]2CC)cc1OC ZINC001138346248 1024706100 /nfs/dbraw/zinc/70/61/00/1024706100.db2.gz ZREOWNYRBMKAJO-UPVQGACJSA-N 1 0 396.531 3.629 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC001138347217 1024708610 /nfs/dbraw/zinc/70/86/10/1024708610.db2.gz UXEIYRQSMBATIY-FUHWJXTLSA-N 1 0 388.508 3.585 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C2 ZINC001138554116 1025011079 /nfs/dbraw/zinc/01/10/79/1025011079.db2.gz ZMLPLYYACPEPTA-TZIWHRDSSA-N 1 0 397.462 3.870 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)cc1 ZINC001138558530 1025020206 /nfs/dbraw/zinc/02/02/06/1025020206.db2.gz ZGRHOGWJXILXBN-HSZRJFAPSA-N 1 0 388.511 3.679 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1O ZINC001138626900 1025125544 /nfs/dbraw/zinc/12/55/44/1025125544.db2.gz SCBPIBMCRIVGHD-ZJSXRUAMSA-N 1 0 394.515 3.966 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c1O ZINC001138627475 1025127247 /nfs/dbraw/zinc/12/72/47/1025127247.db2.gz IYQZXJMDOYUGGR-JRGCBEDISA-N 1 0 380.488 3.574 20 30 GHEDRO C=CCc1cccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)c1O ZINC001138627671 1025128471 /nfs/dbraw/zinc/12/84/71/1025128471.db2.gz MOSPXEFVZAHKFB-XPNTWCBSSA-N 1 0 382.504 3.578 20 30 GHEDRO C=C(C)COc1ccccc1CN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001138662202 1025182328 /nfs/dbraw/zinc/18/23/28/1025182328.db2.gz QFALKXLEOPNLND-QPTUXGOLSA-N 1 0 394.515 3.985 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138745319 1025286033 /nfs/dbraw/zinc/28/60/33/1025286033.db2.gz NBCHPTOHJRKHTL-YLJYHZDGSA-N 1 0 381.900 3.683 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CCC([NH3+])(Cc3ccccc3F)CC2)c1 ZINC001161989512 1025522822 /nfs/dbraw/zinc/52/28/22/1025522822.db2.gz BBJQQESDIQXKNS-UHFFFAOYSA-N 1 0 381.571 3.990 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161988928 1025522953 /nfs/dbraw/zinc/52/29/53/1025522953.db2.gz ZKJOYSBFXHZJCI-UHFFFAOYSA-N 1 0 387.462 3.695 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000839094703 1025592228 /nfs/dbraw/zinc/59/22/28/1025592228.db2.gz AKAIRRPVBTWHJV-ROUUACIJSA-N 1 0 379.545 3.711 20 30 GHEDRO COC(=O)c1cccc(CN(c2ncc(C#N)cc2Cl)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162190217 1025657912 /nfs/dbraw/zinc/65/79/12/1025657912.db2.gz PTFTVPCVKQEZAB-IYARVYRRSA-N 1 0 398.894 3.670 20 30 GHEDRO COCc1nc2scc(-c3ccccc3)c2c(NC2(C#N)CC[NH+](C)CC2)n1 ZINC001162231006 1025682207 /nfs/dbraw/zinc/68/22/07/1025682207.db2.gz JDQZPHAADFOEPQ-UHFFFAOYSA-N 1 0 393.516 3.905 20 30 GHEDRO C#CCC[NH+]1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2)CC1 ZINC000839179334 1025690682 /nfs/dbraw/zinc/69/06/82/1025690682.db2.gz LRJFRVMVIPYJIT-UHFFFAOYSA-N 1 0 386.540 3.727 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OCC)cc1OCC)CC2 ZINC001138977011 1025700594 /nfs/dbraw/zinc/70/05/94/1025700594.db2.gz AFKRLIAQDOWBEZ-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000832604174 1025759774 /nfs/dbraw/zinc/75/97/74/1025759774.db2.gz VJPUYNNJDCKPGV-RBNVVWFDSA-N 1 0 389.499 3.923 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001139032949 1025806014 /nfs/dbraw/zinc/80/60/14/1025806014.db2.gz XCQYLNYRMGJBRT-DEOSSOPVSA-N 1 0 387.483 3.752 20 30 GHEDRO COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001141604647 1025847742 /nfs/dbraw/zinc/84/77/42/1025847742.db2.gz IFQFWXWWUWZNGS-UONOGXRCSA-N 1 0 389.311 3.941 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cc3c(c(Cl)c1)OCO3)CCO2 ZINC001139074962 1025880468 /nfs/dbraw/zinc/88/04/68/1025880468.db2.gz PJQOOTLGLZRXRR-OXJNMPFZSA-N 1 0 379.884 3.642 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])n1 ZINC001162764670 1025910483 /nfs/dbraw/zinc/91/04/83/1025910483.db2.gz ZUABDAGAZQBOQR-NAYHMGJSSA-N 1 0 383.521 3.630 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162850200 1025938468 /nfs/dbraw/zinc/93/84/68/1025938468.db2.gz QVQVPDKVKUFRLZ-HNNXBMFYSA-N 1 0 379.261 3.890 20 30 GHEDRO N#Cc1c(NCC[C@H]2C[NH2+]Cc3cccn3C2)nc(Cl)cc1C(F)(F)F ZINC001163050599 1026024638 /nfs/dbraw/zinc/02/46/38/1026024638.db2.gz SSJTXABKHPXCNP-NSHDSACASA-N 1 0 383.805 3.649 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2Nc2ccc([C@@H](C[NH3+])CO)cc2)c1 ZINC001163058165 1026029566 /nfs/dbraw/zinc/02/95/66/1026029566.db2.gz FKFSPEAIFNIRAI-HNNXBMFYSA-N 1 0 395.850 3.572 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163230243 1026098928 /nfs/dbraw/zinc/09/89/28/1026098928.db2.gz UGXPECSRUUVACQ-OAHLLOKOSA-N 1 0 385.290 3.609 20 30 GHEDRO COc1cccc([C@@H](C[NH3+])Nc2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)c1 ZINC001163309325 1026136456 /nfs/dbraw/zinc/13/64/56/1026136456.db2.gz KWMJHSIPKYSZTG-LJQANCHMSA-N 1 0 397.841 3.928 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(N3CCCCC3)nc1)C2 ZINC001139341003 1026204139 /nfs/dbraw/zinc/20/41/39/1026204139.db2.gz NQVQGEJVFVMGDN-HSZRJFAPSA-N 1 0 382.552 3.605 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1cccc2c(Cl)ncnc21 ZINC001163473030 1026207473 /nfs/dbraw/zinc/20/74/73/1026207473.db2.gz IXXQRBGEQVLRJR-UHFFFAOYSA-N 1 0 389.837 3.999 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001139387428 1026254669 /nfs/dbraw/zinc/25/46/69/1026254669.db2.gz OBGOUMHHEYNFQS-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCc4ncnc(C5CC5)c4CC3)cc2)c1 ZINC001139402935 1026274235 /nfs/dbraw/zinc/27/42/35/1026274235.db2.gz BKBKUOKAHFSKSZ-UHFFFAOYSA-N 1 0 381.483 3.888 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)cc2)c1 ZINC001139404303 1026276349 /nfs/dbraw/zinc/27/63/49/1026276349.db2.gz ZOLHOVOYPYDNCH-RPBOFIJWSA-N 1 0 395.510 3.864 20 30 GHEDRO Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405957 1026279150 /nfs/dbraw/zinc/27/91/50/1026279150.db2.gz GXGZXEYQJGFHKE-OAQYLSRUSA-N 1 0 385.471 3.762 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(C#N)CCSCC2)C1 ZINC001141702481 1026287218 /nfs/dbraw/zinc/28/72/18/1026287218.db2.gz RENYUWOFUBCZBT-ROUUACIJSA-N 1 0 385.577 3.818 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](O)[C@@H]3Cc3ccccc3)cn2)cc1 ZINC001139423550 1026294697 /nfs/dbraw/zinc/29/46/97/1026294697.db2.gz IGAXBBTUSYNPAZ-XZOQPEGZSA-N 1 0 385.467 3.923 20 30 GHEDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427595 1026297817 /nfs/dbraw/zinc/29/78/17/1026297817.db2.gz LVKRUQCXUQZGLM-LJQANCHMSA-N 1 0 379.460 3.911 20 30 GHEDRO N#C/N=C1\SCCN1Cc1ccc(-n2c(C[NH3+])cc3cc(Cl)ccc32)nc1 ZINC001163898285 1026353223 /nfs/dbraw/zinc/35/32/23/1026353223.db2.gz UNBRCFLFOQUCKY-CLCOLTQESA-N 1 0 396.907 3.523 20 30 GHEDRO C[NH+](C)Cc1cccc(CNc2cccc([C@H](C#N)C(=O)OC(C)(C)C)n2)c1 ZINC001163994239 1026380361 /nfs/dbraw/zinc/38/03/61/1026380361.db2.gz WNRIVCUDUFAAFK-SFHVURJKSA-N 1 0 380.492 3.704 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2CF)CC1 ZINC001139526602 1026383509 /nfs/dbraw/zinc/38/35/09/1026383509.db2.gz AMMZCBALXGDREL-DLBZAZTESA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc1F ZINC001139527659 1026385276 /nfs/dbraw/zinc/38/52/76/1026385276.db2.gz GMLWRWGXFJDZNF-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)cc1F ZINC001139528925 1026388234 /nfs/dbraw/zinc/38/82/34/1026388234.db2.gz YILMLVBQFXVGEQ-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1 ZINC001139646562 1026508556 /nfs/dbraw/zinc/50/85/56/1026508556.db2.gz XAUMNCQECLTGRC-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4cc(C#N)ccc4F)C3)C2=O)c1 ZINC001139647010 1026508615 /nfs/dbraw/zinc/50/86/15/1026508615.db2.gz BTIAJKLLXAWDED-QHCPKHFHSA-N 1 0 377.463 3.630 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001139689648 1026540936 /nfs/dbraw/zinc/54/09/36/1026540936.db2.gz RPOJBSYHBWEZGD-LJQANCHMSA-N 1 0 397.906 3.947 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@@]4(C3)c3ccccc3N(CC3CC3)C4=O)c[nH]c21 ZINC001139705484 1026551352 /nfs/dbraw/zinc/55/13/52/1026551352.db2.gz SFQMZGKUBBWGBV-RUZDIDTESA-N 1 0 396.494 3.940 20 30 GHEDRO Cc1ccc(C[N@H+]2CCc3nc(C(=O)N4CCCCC4)sc3CC2)cc1C#N ZINC001139723676 1026566085 /nfs/dbraw/zinc/56/60/85/1026566085.db2.gz CYCWOIZPKNFILH-UHFFFAOYSA-N 1 0 394.544 3.550 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)cc1C#N ZINC001139725211 1026568447 /nfs/dbraw/zinc/56/84/47/1026568447.db2.gz HGUQAWQYMSPYHP-VWLOTQADSA-N 1 0 387.527 3.924 20 30 GHEDRO COCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139727025 1026570521 /nfs/dbraw/zinc/57/05/21/1026570521.db2.gz FWMRTWQVSUAGDO-HXUWFJFHSA-N 1 0 387.524 3.715 20 30 GHEDRO CSc1nc(Cl)cc(N2CCC[N@H+](Cc3ccc(C)c(C#N)c3)CC2)n1 ZINC001139727793 1026571840 /nfs/dbraw/zinc/57/18/40/1026571840.db2.gz YQOUYBVMRXADCA-UHFFFAOYSA-N 1 0 387.940 3.744 20 30 GHEDRO Cc1cnc(N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)n1 ZINC001165139100 1026631115 /nfs/dbraw/zinc/63/11/15/1026631115.db2.gz HEUXHZDMNGWNCT-QFIPXVFZSA-N 1 0 383.499 3.938 20 30 GHEDRO CCOC(=O)c1cc(C)nc(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC001165202369 1026664602 /nfs/dbraw/zinc/66/46/02/1026664602.db2.gz UYNAHFVDVWVVTF-MSOLQXFVSA-N 1 0 392.503 3.538 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)n3ncc4c3CC[NH2+]C4)cc2c1Cl ZINC001165222605 1026671967 /nfs/dbraw/zinc/67/19/67/1026671967.db2.gz FMCUYOHMWBDFOY-UHFFFAOYSA-N 1 0 394.212 3.853 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC001139876669 1026691826 /nfs/dbraw/zinc/69/18/26/1026691826.db2.gz ISABYBUMIUYNTI-DHIUTWEWSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c1 ZINC001139876986 1026692884 /nfs/dbraw/zinc/69/28/84/1026692884.db2.gz TVQNPGRGTIHCCT-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc4cnn(C)c4c3)C2)CC1 ZINC001139903919 1026717912 /nfs/dbraw/zinc/71/79/12/1026717912.db2.gz GVKXDRCZTIRWPD-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#Cc1nc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001165479240 1026741691 /nfs/dbraw/zinc/74/16/91/1026741691.db2.gz LORIUPQXYXDLQX-OXJNMPFZSA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1cc2nc(N(c3cccc(F)c3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc2[nH]1 ZINC001165481904 1026743306 /nfs/dbraw/zinc/74/33/06/1026743306.db2.gz RJKDBTZZWBVCNS-GCJKJVERSA-N 1 0 391.450 3.623 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3csc(Cl)n3)C[C@@H]2c2ccccc2)C1=O ZINC001139978691 1026774871 /nfs/dbraw/zinc/77/48/71/1026774871.db2.gz HGSISQSKJNXCFB-XLIONFOSSA-N 1 0 387.936 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001140115375 1026897110 /nfs/dbraw/zinc/89/71/10/1026897110.db2.gz YITZPAALOFUOGJ-CWPLJXCYSA-N 1 0 380.492 3.775 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](NC(=O)c4cccc(F)c4)C3)c2c1 ZINC001140117410 1026898749 /nfs/dbraw/zinc/89/87/49/1026898749.db2.gz PNGLVIKROUAQEY-LJQANCHMSA-N 1 0 376.435 3.573 20 30 GHEDRO N#Cc1cnc(N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)c(C#N)c1 ZINC001166128273 1026924685 /nfs/dbraw/zinc/92/46/85/1026924685.db2.gz WFASXJCHTURJSS-UHFFFAOYSA-N 1 0 392.466 3.660 20 30 GHEDRO Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ncc4c(c3C#N)CCC[NH2+]C4)C2)c1 ZINC001166579549 1027032485 /nfs/dbraw/zinc/03/24/85/1027032485.db2.gz GMNLTNGRQLEPLI-QGZVFWFLSA-N 1 0 396.922 3.999 20 30 GHEDRO C[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)CN(C)C(=O)OC(C)(C)C ZINC001461219869 1069447657 /nfs/dbraw/zinc/44/76/57/1069447657.db2.gz WNFQIDVJZGVOLJ-CYBMUJFWSA-N 1 0 396.329 3.913 20 30 GHEDRO N#CCOc1cccc(CC(=O)OCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000840388667 1027504562 /nfs/dbraw/zinc/50/45/62/1027504562.db2.gz USUTZYOFKXLHGL-UHFFFAOYSA-N 1 0 378.472 3.861 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(O)c(C#N)c3)cc2C(F)(F)F)CC1 ZINC001210534070 1027547428 /nfs/dbraw/zinc/54/74/28/1027547428.db2.gz YBQNLKCURSIZRJ-UHFFFAOYSA-N 1 0 390.409 3.774 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC001203901900 1027694001 /nfs/dbraw/zinc/69/40/01/1027694001.db2.gz UCEYOCGYVJPDDU-HSZRJFAPSA-N 1 0 377.463 3.712 20 30 GHEDRO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](Cc2ccc(C#N)cc2)C3)n1 ZINC001203901956 1027694154 /nfs/dbraw/zinc/69/41/54/1027694154.db2.gz ULGLJBAIJVDPJS-ZEQRLZLVSA-N 1 0 391.515 3.850 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)cc1 ZINC001203901289 1027694591 /nfs/dbraw/zinc/69/45/91/1027694591.db2.gz KJGGTUGVANCHFM-UHFFFAOYSA-N 1 0 388.496 3.868 20 30 GHEDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(C#Cc3ccccc3)s1)CC2 ZINC001141973078 1027780585 /nfs/dbraw/zinc/78/05/85/1027780585.db2.gz XUDXCVWVMORZBX-UHFFFAOYSA-N 1 0 378.541 3.982 20 30 GHEDRO C(#Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)s1 ZINC001141975994 1027789880 /nfs/dbraw/zinc/78/98/80/1027789880.db2.gz RHCDXTSOLMNLGK-QHCPKHFHSA-N 1 0 386.524 3.793 20 30 GHEDRO C(#Cc1ccccc1)c1ccc(C[NH+]2CCC(Oc3ccncn3)CC2)s1 ZINC001141977935 1027793490 /nfs/dbraw/zinc/79/34/90/1027793490.db2.gz UCBCQDGHIXJZAI-UHFFFAOYSA-N 1 0 375.497 3.981 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000840844534 1027877615 /nfs/dbraw/zinc/87/76/15/1027877615.db2.gz VJRYTPLUEYQWRQ-AWEZNQCLSA-N 1 0 392.908 3.887 20 30 GHEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(I)cc2)no1 ZINC001211435008 1027957483 /nfs/dbraw/zinc/95/74/83/1027957483.db2.gz RZBUTWLRUMRLGW-UHFFFAOYSA-N 1 0 395.244 3.840 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000840979598 1028020400 /nfs/dbraw/zinc/02/04/00/1028020400.db2.gz XPGRZNYQPMJPNL-VGSWGCGISA-N 1 0 385.508 3.953 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC4(C3)CC[NH2+]CC4)cc2)cc1 ZINC000841085521 1028109329 /nfs/dbraw/zinc/10/93/29/1028109329.db2.gz FZCIDVITFMYKCK-UHFFFAOYSA-N 1 0 376.460 3.958 20 30 GHEDRO C[NH+](C)CCOc1cc(Br)ccc1Nc1ccc(N)c(C#N)c1 ZINC001213443588 1028195666 /nfs/dbraw/zinc/19/56/66/1028195666.db2.gz SNQMKJFURBCRAB-UHFFFAOYSA-N 1 0 375.270 3.587 20 30 GHEDRO Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841182472 1028257286 /nfs/dbraw/zinc/25/72/86/1028257286.db2.gz GWWYQLPHFXAKFD-SUMWQHHRSA-N 1 0 395.463 3.644 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001213891644 1028433532 /nfs/dbraw/zinc/43/35/32/1028433532.db2.gz MPRKJUWWPMEYST-UHFFFAOYSA-N 1 0 397.529 3.905 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3cc(C)n(-c4cc[nH+]cc4)n3)n2)c(F)c1 ZINC001214145029 1028565784 /nfs/dbraw/zinc/56/57/84/1028565784.db2.gz QGYYSLSZDNPSRG-UHFFFAOYSA-N 1 0 377.379 3.997 20 30 GHEDRO Cn1c(=O)c2ccccc2nc1N=NC1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841616939 1028780225 /nfs/dbraw/zinc/78/02/25/1028780225.db2.gz RJYYHOWWDYIMPX-OAQYLSRUSA-N 1 0 387.487 3.701 20 30 GHEDRO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000842164844 1029120127 /nfs/dbraw/zinc/12/01/27/1029120127.db2.gz DSIDTINXGVADHJ-XYJFISCASA-N 1 0 380.492 3.658 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC001142649638 1029205859 /nfs/dbraw/zinc/20/58/59/1029205859.db2.gz XTZYBFLUAVYDLQ-LJQANCHMSA-N 1 0 389.540 3.831 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(N2CCNC2=O)cc1 ZINC000842743099 1029552535 /nfs/dbraw/zinc/55/25/35/1029552535.db2.gz BXRCWHNLDBAELO-KRWDZBQOSA-N 1 0 378.476 3.750 20 30 GHEDRO C[NH+](C)CCOc1ccc(Nc2ccc(OC3CCOCC3)c(C#N)c2)cc1 ZINC001216667782 1029723743 /nfs/dbraw/zinc/72/37/43/1029723743.db2.gz QFETWQJIAROBED-UHFFFAOYSA-N 1 0 381.476 3.800 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccc4c[nH+]cn4c3)c2)s1 ZINC001222126250 1029972076 /nfs/dbraw/zinc/97/20/76/1029972076.db2.gz QRRLROPVSZOBET-UHFFFAOYSA-N 1 0 387.468 3.934 20 30 GHEDRO C[NH+]1CCN(c2cc(Cl)ccc2-c2nc(-c3cccc(C#N)c3)no2)CC1 ZINC001217008692 1030080672 /nfs/dbraw/zinc/08/06/72/1030080672.db2.gz FMAMRXRUECKCIE-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCCC1 ZINC001217008645 1030081953 /nfs/dbraw/zinc/08/19/53/1030081953.db2.gz YFHJLEWCEUOHDK-UHFFFAOYSA-N 1 0 384.402 3.700 20 30 GHEDRO N#Cc1ccc(-c2noc(-c3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)n2)c2ccccc12 ZINC001217105124 1030169460 /nfs/dbraw/zinc/16/94/60/1030169460.db2.gz CQMZPRKFZZGHEV-LJQANCHMSA-N 1 0 396.450 3.995 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(-c2nc(-c3cc(C#N)ccc3F)no2)cc1 ZINC001217116584 1030178208 /nfs/dbraw/zinc/17/82/08/1030178208.db2.gz QNODCPVWRVCRCC-UHFFFAOYSA-N 1 0 393.466 3.798 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2cccc3c2C[NH2+]CC3)n1 ZINC001217191513 1030223991 /nfs/dbraw/zinc/22/39/91/1030223991.db2.gz IXVAHLJZLYPUJR-UHFFFAOYSA-N 1 0 381.233 3.683 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)n3C)CC2)C1=O ZINC001276851264 1030357676 /nfs/dbraw/zinc/35/76/76/1030357676.db2.gz IVRKNHOPIOKJEM-LJQANCHMSA-N 1 0 394.357 3.568 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001223499652 1030606632 /nfs/dbraw/zinc/60/66/32/1030606632.db2.gz UAGQSRUJSKQFGE-HSZRJFAPSA-N 1 0 390.531 3.903 20 30 GHEDRO C#C[C@H](CCCCCCCCCCC)OCCOCCOCCOCC[NH3+] ZINC001217928187 1030674253 /nfs/dbraw/zinc/67/42/53/1030674253.db2.gz UIWXYUKTEXTKKI-JOCHJYFZSA-N 1 0 385.589 3.934 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CCC[NH2+]C[C@H]3F)c3ccccc23)ccc1F ZINC001217947199 1030680350 /nfs/dbraw/zinc/68/03/50/1030680350.db2.gz JLPWBEFYHPGKTK-TZIWHRDSSA-N 1 0 394.425 3.700 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CCCC[NH2+]C2)c1 ZINC001217974034 1030699315 /nfs/dbraw/zinc/69/93/15/1030699315.db2.gz MLSGPOSFAJPBRQ-MPNRVQBSSA-N 1 0 383.444 3.523 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001217985800 1030705430 /nfs/dbraw/zinc/70/54/30/1030705430.db2.gz CQIBVMRFWNIZFR-MDBVGSSFSA-N 1 0 379.504 3.697 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CCC[NH2+]C[C@@H]3C)c(C#N)c2)nc1C ZINC001217986243 1030706693 /nfs/dbraw/zinc/70/66/93/1030706693.db2.gz FKACDESHMYVBIU-SUMWQHHRSA-N 1 0 399.516 3.934 20 30 GHEDRO COc1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001217986822 1030707450 /nfs/dbraw/zinc/70/74/50/1030707450.db2.gz VLXIIMIQOFXSJH-BLHHUWMDSA-N 1 0 385.435 3.766 20 30 GHEDRO C=CCc1c(O[C@H]2CCC[NH2+]C[C@H]2C)c2cccnc2n(-c2ccccc2)c1=O ZINC001217992315 1030709974 /nfs/dbraw/zinc/70/99/74/1030709974.db2.gz AHMXSDXKDGBSGI-UTKZUKDTSA-N 1 0 389.499 3.881 20 30 GHEDRO COc1cc(O[C@H]2CCC[NH2+]CC2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218000137 1030715245 /nfs/dbraw/zinc/71/52/45/1030715245.db2.gz NBSZTCUUGHTONG-FYXHJSOBSA-N 1 0 395.455 3.580 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[NH2+][C@@H](C)C2)c1OC ZINC001218052215 1030742160 /nfs/dbraw/zinc/74/21/60/1030742160.db2.gz AHKLYKPLGGUILI-PRHORXKJSA-N 1 0 397.471 3.825 20 30 GHEDRO C[C@H]1C[C@@H](Oc2c(Br)cc(Br)cc2C=NO)CC[NH2+]1 ZINC001218054466 1030745484 /nfs/dbraw/zinc/74/54/84/1030745484.db2.gz ZSQOTDIZKMVFAF-KWQFWETISA-N 1 0 392.091 3.539 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3CC[NH2+]C[C@H]3F)c2)cc1OC ZINC001218072885 1030756015 /nfs/dbraw/zinc/75/60/15/1030756015.db2.gz TYTFZGYTKMLOMW-BPIPWHKUSA-N 1 0 385.435 3.679 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2ccccc2O[C@@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001218100904 1030773179 /nfs/dbraw/zinc/77/31/79/1030773179.db2.gz ZAWUKBYGWRGDEN-MZEUMTGBSA-N 1 0 381.497 3.818 20 30 GHEDRO COc1ccccc1/C=C/C(=O)c1ccccc1O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001218103181 1030774400 /nfs/dbraw/zinc/77/44/00/1030774400.db2.gz QGBNQNJOGGFZDP-DVQDXYAYSA-N 1 0 381.497 3.818 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3CCC34C[NH2+]C4)c2)cc1OC ZINC001218242843 1030847060 /nfs/dbraw/zinc/84/70/60/1030847060.db2.gz VFWLSNOIIKMMRP-IMAOXBOFSA-N 1 0 379.456 3.731 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3C[NH2+]CC[C@H]3F)c2)cc1OC ZINC001218323201 1030892634 /nfs/dbraw/zinc/89/26/34/1030892634.db2.gz YXGNLKVTFDQUIA-XZSBDORCSA-N 1 0 385.435 3.679 20 30 GHEDRO C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[NH2+][C@@H](C(=O)CC)C2)c1 ZINC001218324127 1030892911 /nfs/dbraw/zinc/89/29/11/1030892911.db2.gz ZHGHJDNRANHJME-UYAOXDASSA-N 1 0 379.456 3.571 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001224170807 1030910893 /nfs/dbraw/zinc/91/08/93/1030910893.db2.gz QNEFNBZBHVHDPM-GOSISDBHSA-N 1 0 384.863 3.789 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3C[NH2+]CCC34CC4)cc2)cc1 ZINC001218403790 1030922940 /nfs/dbraw/zinc/92/29/40/1030922940.db2.gz KSDUNESUZPQSFO-NRFANRHFSA-N 1 0 399.512 3.605 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001218407304 1030925474 /nfs/dbraw/zinc/92/54/74/1030925474.db2.gz OYMYHKXTLHTVGG-VSZZASKWSA-N 1 0 397.471 3.825 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(O)c1 ZINC001218479568 1030954542 /nfs/dbraw/zinc/95/45/42/1030954542.db2.gz POVIOQJIZUZSFT-FRQCXROJSA-N 1 0 377.481 3.887 20 30 GHEDRO N#Cc1cc2cccnc2nc1NC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC001218544148 1030980551 /nfs/dbraw/zinc/98/05/51/1030980551.db2.gz HJHUPTZFIJQOPH-OAHLLOKOSA-N 1 0 386.242 3.837 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=O)[C@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)cc1 ZINC001218808661 1031087719 /nfs/dbraw/zinc/08/77/19/1031087719.db2.gz IJBRHTSDPSKPPA-VGSWGCGISA-N 1 0 376.504 3.657 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c(Cl)ccnc12 ZINC001219115010 1031258141 /nfs/dbraw/zinc/25/81/41/1031258141.db2.gz XFULNUPDAJPHAR-SJORKVTESA-N 1 0 376.847 3.702 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(Cl)c(C)c1)C2 ZINC001277031454 1031336692 /nfs/dbraw/zinc/33/66/92/1031336692.db2.gz DMJFKZZCKFBNIA-OAQYLSRUSA-N 1 0 376.928 3.584 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1cc(F)c(OCC2CC2)c(F)c1 ZINC001219323427 1031357314 /nfs/dbraw/zinc/35/73/14/1031357314.db2.gz ISGVOVGAFNBKBD-INIZCTEOSA-N 1 0 385.414 3.524 20 30 GHEDRO CCOC(=O)c1sc(SC)c(C#N)c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001225374595 1031369757 /nfs/dbraw/zinc/36/97/57/1031369757.db2.gz FOVUTSDCPJIQHG-DABQJJPHSA-N 1 0 380.535 3.627 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OC)c2)CCC[NH2+]1 ZINC001219357049 1031375205 /nfs/dbraw/zinc/37/52/05/1031375205.db2.gz LFGPAZHZSRDKMY-JOCHJYFZSA-N 1 0 394.496 3.708 20 30 GHEDRO Cc1cc(O)cc(O[C@H]2CCN(Cc3ccccc3C#N)C2)c1Br ZINC001225386509 1031375191 /nfs/dbraw/zinc/37/51/91/1031375191.db2.gz YMNHGERELJJYIR-KRWDZBQOSA-N 1 0 387.277 3.988 20 30 GHEDRO C#Cc1ccc(NC(=O)C[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)cc1F ZINC001219383982 1031387792 /nfs/dbraw/zinc/38/77/92/1031387792.db2.gz GLWNRMSZIXFWDY-QGZVFWFLSA-N 1 0 378.447 3.824 20 30 GHEDRO Cc1ccc(CSC[C@H]([NH3+])C(=O)Nc2ccc(C#N)c3ncccc23)cc1 ZINC001219467923 1031441502 /nfs/dbraw/zinc/44/15/02/1031441502.db2.gz SRAYQLKYCXSXPU-SFHVURJKSA-N 1 0 376.485 3.614 20 30 GHEDRO C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3ccc(CC(=[NH2+])NO)cc3)[C@@H]12 ZINC001225545770 1031468890 /nfs/dbraw/zinc/46/88/90/1031468890.db2.gz IFBNAQWDPBMDLD-XHRGMSINSA-N 1 0 396.487 3.941 20 30 GHEDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC001219663351 1031546391 /nfs/dbraw/zinc/54/63/91/1031546391.db2.gz NAESIBQRYXAQMM-VQIMIIECSA-N 1 0 379.529 3.826 20 30 GHEDRO N#CCc1ccnc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001219701408 1031564088 /nfs/dbraw/zinc/56/40/88/1031564088.db2.gz NMZBURHWRYZVLU-PCCBWWKXSA-N 1 0 389.503 3.570 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001153510875 1031624830 /nfs/dbraw/zinc/62/48/30/1031624830.db2.gz XTBAKPZYFMHOQQ-AWEZNQCLSA-N 1 0 376.485 3.827 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccnn1-c1ccc(F)cc1)C(C)C ZINC001219821654 1031635632 /nfs/dbraw/zinc/63/56/32/1031635632.db2.gz PAPGCUZSBOZKHR-LJQANCHMSA-N 1 0 385.487 3.832 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)N[C@@H]3C[NH2+]Cc4ccsc43)c2)c1 ZINC001219828976 1031644864 /nfs/dbraw/zinc/64/48/64/1031644864.db2.gz JFURJJGNHKZVGF-LJQANCHMSA-N 1 0 375.453 3.567 20 30 GHEDRO Cc1ccc(C2(CC(=O)NC(C)(C)c3ccc(C#N)cc3)CC[NH2+]CC2)cc1 ZINC001219990035 1031731380 /nfs/dbraw/zinc/73/13/80/1031731380.db2.gz XBDWJRISJLCLGN-UHFFFAOYSA-N 1 0 375.516 3.930 20 30 GHEDRO COc1ncc(NC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc1C#N ZINC001220042097 1031754280 /nfs/dbraw/zinc/75/42/80/1031754280.db2.gz LASWSFOHQDKLOZ-FQEVSTJZSA-N 1 0 395.507 3.585 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCCSCc1ccccc1Cl ZINC001220084497 1031777890 /nfs/dbraw/zinc/77/78/90/1031777890.db2.gz QIWGHCSPDHYPBN-SFHVURJKSA-N 1 0 387.936 3.521 20 30 GHEDRO C#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC001220234538 1031851636 /nfs/dbraw/zinc/85/16/36/1031851636.db2.gz FNFGRWIBMGJWGZ-UHFFFAOYSA-N 1 0 392.890 3.979 20 30 GHEDRO C=CCCOc1ccc(C(=O)N[C@@H](C[NH3+])c2ccc(Br)cc2)cc1 ZINC001220616135 1032014933 /nfs/dbraw/zinc/01/49/33/1032014933.db2.gz CEEYCNFZNDXVQN-SFHVURJKSA-N 1 0 389.293 3.834 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H](O)[C@H]([NH3+])Cc3ccccc3)n2)cc1Cl ZINC001205303892 1033350774 /nfs/dbraw/zinc/35/07/74/1033350774.db2.gz HUXREBDDLHJVQL-CVEARBPZSA-N 1 0 389.242 3.518 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC001229291549 1033394508 /nfs/dbraw/zinc/39/45/08/1033394508.db2.gz GMOLTVCAOFGDFG-GBXCKJPGSA-N 1 0 389.543 3.730 20 30 GHEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC001205448273 1033416724 /nfs/dbraw/zinc/41/67/24/1033416724.db2.gz GLIUGLMZVPJKHV-MRXNPFEDSA-N 1 0 393.491 3.873 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(C4(N5CCOCC5)CC4)cc3)sc2C1 ZINC001205790828 1033574446 /nfs/dbraw/zinc/57/44/46/1033574446.db2.gz ITKSRMUXQOJHPC-UHFFFAOYSA-N 1 0 394.544 3.673 20 30 GHEDRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c(C#N)cc1N(C)C ZINC001205941672 1033645674 /nfs/dbraw/zinc/64/56/74/1033645674.db2.gz CXTDUTDQIJTECC-IBGZPJMESA-N 1 0 383.540 3.851 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC(C)([NH+]4CCCC4)CC3)nn2)cc1 ZINC001157652211 1033706541 /nfs/dbraw/zinc/70/65/41/1033706541.db2.gz HHGKQRPFIVMXQV-HXUWFJFHSA-N 1 0 375.520 3.895 20 30 GHEDRO Cc1nn(-c2ccccc2F)cc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001206070050 1033709809 /nfs/dbraw/zinc/70/98/09/1033709809.db2.gz YQLIHSGSJVOFHP-UHFFFAOYSA-N 1 0 378.451 3.840 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001157760843 1033757954 /nfs/dbraw/zinc/75/79/54/1033757954.db2.gz WXPZVXBXZRKJDU-AWEZNQCLSA-N 1 0 383.229 3.956 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[NH+]1CCCCC1 ZINC001206195047 1033759315 /nfs/dbraw/zinc/75/93/15/1033759315.db2.gz VQWYEPGEMWILSB-UHFFFAOYSA-N 1 0 382.302 3.621 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001157766811 1033760659 /nfs/dbraw/zinc/76/06/59/1033760659.db2.gz PBTRYZHNXHKSES-SFHVURJKSA-N 1 0 391.862 3.945 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)cc1 ZINC001157767215 1033761698 /nfs/dbraw/zinc/76/16/98/1033761698.db2.gz UGDZTTZJHAMNEI-QHCPKHFHSA-N 1 0 384.483 3.878 20 30 GHEDRO COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1O[C@H](CC#N)C[N+](C)(C)C ZINC001229910884 1033787290 /nfs/dbraw/zinc/78/72/90/1033787290.db2.gz QVRVECVEJJUREG-RRFGBZISSA-O 1 0 383.468 3.644 20 30 GHEDRO COc1cc(/C=C/c2ccc(O)cc2)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)c1 ZINC001229937616 1033800962 /nfs/dbraw/zinc/80/09/62/1033800962.db2.gz OONAJUFLLCRVND-PHAJHLCRSA-N 1 0 379.456 3.562 20 30 GHEDRO C=CC[N@H+]1CCc2c(Cl)c(OC3COC3)c(O)cc2[C@H](c2ccccc2)C1 ZINC001230088965 1033893158 /nfs/dbraw/zinc/89/31/58/1033893158.db2.gz MSZATTHTOKMONN-IBGZPJMESA-N 1 0 385.891 3.999 20 30 GHEDRO C=CC[N@@H+]1CCc2c(Cl)c(OC3CN(C)C3)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001230088996 1033893921 /nfs/dbraw/zinc/89/39/21/1033893921.db2.gz MZEOXPPBGOEDIQ-HXUWFJFHSA-N 1 0 398.934 3.914 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001230200806 1033941793 /nfs/dbraw/zinc/94/17/93/1033941793.db2.gz MAMANDHUEDMELT-GMAHTHKFSA-N 1 0 388.515 3.852 20 30 GHEDRO CCN([C@H]1CCC[NH2+]C1)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001158207676 1033963648 /nfs/dbraw/zinc/96/36/48/1033963648.db2.gz UMJFOXQHHCZZFW-HNNXBMFYSA-N 1 0 391.853 3.792 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3C[NH+]4CCC3CC4)c3ccccc32)ccc1F ZINC001230259719 1033968072 /nfs/dbraw/zinc/96/80/72/1033968072.db2.gz JHEVZRXKBTUILT-JOCHJYFZSA-N 1 0 388.446 3.704 20 30 GHEDRO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC001207110424 1034097154 /nfs/dbraw/zinc/09/71/54/1034097154.db2.gz LMPMQYOXFXYVJO-LEWJYISDSA-N 1 0 383.467 3.770 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(COc4ccc(C(F)(F)F)cc43)CC2)cc1C#N ZINC001207109631 1034097536 /nfs/dbraw/zinc/09/75/36/1034097536.db2.gz PAUUZDGVAUOMFX-UHFFFAOYSA-N 1 0 375.394 3.842 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)C1 ZINC001207213980 1034180388 /nfs/dbraw/zinc/18/03/88/1034180388.db2.gz GWYUEGOJGXKEIZ-MJGOQNOKSA-N 1 0 385.508 3.658 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(C[NH+]3CCC(Oc4ccccc4C#N)CC3)(C1)C2 ZINC001207267923 1034223620 /nfs/dbraw/zinc/22/36/20/1034223620.db2.gz GEXKMCUPPRZFGY-UHFFFAOYSA-N 1 0 397.519 3.849 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Br)cc3CC)C2)C1=O ZINC001277474482 1034310389 /nfs/dbraw/zinc/31/03/89/1034310389.db2.gz PNZSSDWVKWFOES-IBGZPJMESA-N 1 0 377.326 3.622 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(Br)cc(F)c(C)c3F)C2)C1=O ZINC001276528992 1034333991 /nfs/dbraw/zinc/33/39/91/1034333991.db2.gz ABUXIJDNKVUUPO-GOSISDBHSA-N 1 0 399.279 3.646 20 30 GHEDRO CC(C)(O)CCCC1=CC[C@H](C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001207407119 1034346229 /nfs/dbraw/zinc/34/62/29/1034346229.db2.gz LJUZODDDUABNAK-FQEVSTJZSA-N 1 0 382.552 3.743 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)cc1C#N ZINC001231032226 1034352820 /nfs/dbraw/zinc/35/28/20/1034352820.db2.gz ZRRDUJGKHZTQDG-GZOXUSKESA-N 1 0 390.483 3.563 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCCc3ccccc3F)CC2)cc1 ZINC001207496348 1034401835 /nfs/dbraw/zinc/40/18/35/1034401835.db2.gz MASMSAVXJRZRBK-UHFFFAOYSA-N 1 0 380.467 3.916 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1ccccc1Br)C2 ZINC001207530975 1034434674 /nfs/dbraw/zinc/43/46/74/1034434674.db2.gz ICYVLPMJGYBRAN-IEBWSBKVSA-N 1 0 380.326 3.818 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)N2CCCC3(C[NH+](C4CCCC4)C3)C2)nc1Cl ZINC001277502716 1034497887 /nfs/dbraw/zinc/49/78/87/1034497887.db2.gz FUSANWFNDJMCID-UHFFFAOYSA-N 1 0 393.318 3.741 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[NH+]3CCC(C#N)(c4ccccc4)CC3)[C@H]2C1 ZINC001207774217 1034570368 /nfs/dbraw/zinc/57/03/68/1034570368.db2.gz QIEDKMOFBQUFMK-OWZKRDHZSA-N 1 0 381.520 3.657 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CCC[C@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001207899260 1034644708 /nfs/dbraw/zinc/64/47/08/1034644708.db2.gz SJQCTKSDUHBUPV-UNMCSNQZSA-N 1 0 380.573 3.679 20 30 GHEDRO N#Cc1c(N[C@@H](Cc2ccccc2)c2nccs2)ncc2c1CCC[NH2+]C2 ZINC001159570840 1034670488 /nfs/dbraw/zinc/67/04/88/1034670488.db2.gz SFUCCHNXOBTMRA-IBGZPJMESA-N 1 0 375.501 3.841 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159653276 1034702324 /nfs/dbraw/zinc/70/23/24/1034702324.db2.gz FPESVGWAUTUHDL-KRWDZBQOSA-N 1 0 390.865 3.953 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(Br)c[nH]1)CC2 ZINC001231571949 1034721619 /nfs/dbraw/zinc/72/16/19/1034721619.db2.gz OXBLOZQUIAGVDM-UHFFFAOYSA-N 1 0 396.329 3.778 20 30 GHEDRO Cn1nc(Br)c2ccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)cc21 ZINC001159722403 1034723830 /nfs/dbraw/zinc/72/38/30/1034723830.db2.gz KBFVFJGAXGRJTE-UHFFFAOYSA-N 1 0 382.265 3.638 20 30 GHEDRO C(#Cc1ccccc1CN1CCn2cc(C[NH+]3CCCC3)nc2C1)c1ccccc1 ZINC001231577225 1034727488 /nfs/dbraw/zinc/72/74/88/1034727488.db2.gz QZSSHCYLIGMALS-UHFFFAOYSA-N 1 0 396.538 3.895 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)CC1 ZINC001208174946 1034774639 /nfs/dbraw/zinc/77/46/39/1034774639.db2.gz LFOBLYULLPSGKJ-HKBOAZHASA-N 1 0 386.561 3.542 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cccnc4C)[C@@H]3C2)CC1 ZINC001208175083 1034774935 /nfs/dbraw/zinc/77/49/35/1034774935.db2.gz MVNNYHXCVQADHE-YSFYHYPLSA-N 1 0 395.547 3.826 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC(C)C)C2=O ZINC001231619560 1034777508 /nfs/dbraw/zinc/77/75/08/1034777508.db2.gz NWRRJGBHBCURRK-DEOSSOPVSA-N 1 0 389.499 3.713 20 30 GHEDRO COc1cc(C#N)ccc1C[N@H+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231621068 1034777860 /nfs/dbraw/zinc/77/78/60/1034777860.db2.gz RUUAFYXONPIALL-LJQANCHMSA-N 1 0 385.508 3.931 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1 ZINC001231623094 1034783182 /nfs/dbraw/zinc/78/31/82/1034783182.db2.gz UEOYAPGCRFYZCM-UHFFFAOYSA-N 1 0 391.515 3.775 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1 ZINC001231623827 1034785318 /nfs/dbraw/zinc/78/53/18/1034785318.db2.gz XLLMLQBINSGADM-FYYLOGMGSA-N 1 0 380.488 3.849 20 30 GHEDRO N#Cc1cc(F)ccc1Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001159964969 1034805503 /nfs/dbraw/zinc/80/55/03/1034805503.db2.gz IQLBLXNKOXFIRM-UHFFFAOYSA-N 1 0 378.373 3.865 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC001231656993 1034814731 /nfs/dbraw/zinc/81/47/31/1034814731.db2.gz LEAQTELHTAIGMO-BJKOFHAPSA-N 1 0 376.500 3.651 20 30 GHEDRO CCOC(=O)c1cc(Cl)nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001160100084 1034858978 /nfs/dbraw/zinc/85/89/78/1034858978.db2.gz QEJRVTPGYAJBNR-UHFFFAOYSA-N 1 0 398.894 3.882 20 30 GHEDRO N#Cc1cc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)ccc1OC1CCOCC1 ZINC001160135622 1034877014 /nfs/dbraw/zinc/87/70/14/1034877014.db2.gz YTSFXSJDMKSUDD-GOSISDBHSA-N 1 0 397.450 3.739 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1 ZINC001231817412 1034926184 /nfs/dbraw/zinc/92/61/84/1034926184.db2.gz ASHBJAJDSRKTNF-QHCPKHFHSA-N 1 0 396.535 3.647 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001231816476 1034926213 /nfs/dbraw/zinc/92/62/13/1034926213.db2.gz OTXOTVLABSMOQF-YLJYHZDGSA-N 1 0 386.540 3.772 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc4c[nH]nc43)C[C@@H]2c2ccccc2)C1=O ZINC001231970465 1035015169 /nfs/dbraw/zinc/01/51/69/1035015169.db2.gz ITDPSVZEUOKRLN-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CC1(c2ccccc2)CCCC1 ZINC001208775084 1035015238 /nfs/dbraw/zinc/01/52/38/1035015238.db2.gz POSLHIISQCINLM-OAQYLSRUSA-N 1 0 380.536 3.912 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCCc3cccc(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001208851965 1035057848 /nfs/dbraw/zinc/05/78/48/1035057848.db2.gz PJSGLBXEAIXLRD-RSXGOPAZSA-N 1 0 399.538 3.995 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001208852212 1035057871 /nfs/dbraw/zinc/05/78/71/1035057871.db2.gz WLUBGFKFKJTUBR-OAQYLSRUSA-N 1 0 378.520 3.733 20 30 GHEDRO Cc1cc(N2CC[NH+](CCCc3cccc(C#N)c3)CC2)n(-c2ccccc2)n1 ZINC001208850854 1035058022 /nfs/dbraw/zinc/05/80/22/1035058022.db2.gz LGBPIDZRGNKEBF-UHFFFAOYSA-N 1 0 385.515 3.807 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)c1 ZINC001208852971 1035059636 /nfs/dbraw/zinc/05/96/36/1035059636.db2.gz YKCWZPUZBAYFOA-UHFFFAOYSA-N 1 0 387.487 3.567 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cc1 ZINC001208857771 1035061631 /nfs/dbraw/zinc/06/16/31/1035061631.db2.gz AFFCZWJIAVLYDI-RPBOFIJWSA-N 1 0 389.543 3.509 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CCCc3ccc(C#N)cc3)C[C@@H]12 ZINC001208862141 1035065182 /nfs/dbraw/zinc/06/51/82/1035065182.db2.gz UNJPKXDRMQLZPP-JWQCQUIFSA-N 1 0 387.527 3.755 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](CC1CCN(c3ccccc3)CC1)CC2 ZINC001208907953 1035083226 /nfs/dbraw/zinc/08/32/26/1035083226.db2.gz PQRDFPJDSLYADK-UHFFFAOYSA-N 1 0 383.536 3.623 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC001208929967 1035092600 /nfs/dbraw/zinc/09/26/00/1035092600.db2.gz WTNVMDMVRXDINP-IAGOWNOFSA-N 1 0 397.441 3.878 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208931224 1035093710 /nfs/dbraw/zinc/09/37/10/1035093710.db2.gz ILHOKAUJSXNDJB-JOCHJYFZSA-N 1 0 397.563 3.619 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)cc1Cl ZINC001232113349 1035101317 /nfs/dbraw/zinc/10/13/17/1035101317.db2.gz SQTVRXWKWZVSCV-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001160952111 1035103350 /nfs/dbraw/zinc/10/33/50/1035103350.db2.gz QDHVZYBVAHOCGV-UZLBHIALSA-N 1 0 383.442 3.893 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)cc1Cl ZINC001232117522 1035104138 /nfs/dbraw/zinc/10/41/38/1035104138.db2.gz BRXRXWJAXHRODY-IBGZPJMESA-N 1 0 379.891 3.850 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)cc1Cl ZINC001232114915 1035104549 /nfs/dbraw/zinc/10/45/49/1035104549.db2.gz ZNOBOROVPRLOBA-JOCHJYFZSA-N 1 0 394.906 3.764 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)cc1Cl ZINC001232119923 1035107430 /nfs/dbraw/zinc/10/74/30/1035107430.db2.gz KLTPBOAVWZFEAO-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C1 ZINC001160993835 1035114601 /nfs/dbraw/zinc/11/46/01/1035114601.db2.gz DTMCQAJJCAGVDI-UEVCKROQSA-N 1 0 387.527 3.733 20 30 GHEDRO C=CCN(CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)C(=O)OCC ZINC001209020467 1035152402 /nfs/dbraw/zinc/15/24/02/1035152402.db2.gz YSUPBSPGHLMXBO-UHFFFAOYSA-N 1 0 375.444 3.791 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)cc1 ZINC001232221565 1035169180 /nfs/dbraw/zinc/16/91/80/1035169180.db2.gz ISSCZCZZBCLZRJ-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO C=CCCCC[NH+]1CCN([C@H](c2ccccc2)c2nc(OC)cc(OC)n2)CC1 ZINC001209203549 1035207500 /nfs/dbraw/zinc/20/75/00/1035207500.db2.gz ZCEOERHWAKKGEF-JOCHJYFZSA-N 1 0 396.535 3.557 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)[NH2+]C3)C2)cc1 ZINC001161325127 1035208479 /nfs/dbraw/zinc/20/84/79/1035208479.db2.gz WZSVSBBYFLVKJF-MZYLBHOOSA-N 1 0 389.499 3.669 20 30 GHEDRO C#CCCC[NH+]1CCC2(CC1)C[C@@H](CC(=O)NCC1CC1)c1ccccc1O2 ZINC001209263284 1035226400 /nfs/dbraw/zinc/22/64/00/1035226400.db2.gz IWMFIKRVDYMIJE-HXUWFJFHSA-N 1 0 380.532 3.717 20 30 GHEDRO N#Cc1ncc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)nc1C#N ZINC001161460553 1035235487 /nfs/dbraw/zinc/23/54/87/1035235487.db2.gz GGAJNTSWYAOLOE-RTWAWAEBSA-N 1 0 394.482 3.690 20 30 GHEDRO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001461954654 1069912679 /nfs/dbraw/zinc/91/26/79/1069912679.db2.gz AZBKUHTZPNXFNU-OAQYLSRUSA-N 1 0 389.543 3.965 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CCCCCCC(=O)OCC)C2)C1 ZINC001209345147 1035246906 /nfs/dbraw/zinc/24/69/06/1035246906.db2.gz CJYRVFLXQYIGNI-NRFANRHFSA-N 1 0 380.529 3.611 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccsc3)[C@H]2C1 ZINC001209437497 1035273891 /nfs/dbraw/zinc/27/38/91/1035273891.db2.gz MKOYPQNHWAHBNU-YSIASYRMSA-N 1 0 376.566 3.951 20 30 GHEDRO C=CCCCCCC[N@H+]1CCC[C@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 ZINC001209435487 1035274015 /nfs/dbraw/zinc/27/40/15/1035274015.db2.gz KLPZKMMVLROOQS-QHCPKHFHSA-N 1 0 398.551 3.787 20 30 GHEDRO C=CCCCCCCC[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cccn3C)[C@H]2C1 ZINC001209438294 1035274386 /nfs/dbraw/zinc/27/43/86/1035274386.db2.gz DWSNFFBDNCXXLZ-JAXLGGSGSA-N 1 0 387.568 3.618 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(F)c(O)c(OC)c3)CC2)C1 ZINC001209522125 1035302272 /nfs/dbraw/zinc/30/22/72/1035302272.db2.gz UQIAJJSWNPNTLB-UHFFFAOYSA-N 1 0 392.471 3.541 20 30 GHEDRO Cc1cc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)ccc1Br ZINC001248154431 1035580023 /nfs/dbraw/zinc/58/00/23/1035580023.db2.gz AZBRFJFHPMUEJL-MRXNPFEDSA-N 1 0 397.276 3.792 20 30 GHEDRO Cc1c(Br)cccc1-c1noc(C[C@H]([NH3+])Cc2cccc(C#N)c2)n1 ZINC001248155667 1035581546 /nfs/dbraw/zinc/58/15/46/1035581546.db2.gz 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CCC[N@H+](C)[C@H](CNC(=O)NCC#C[C@@H]1CCCCO1)c1ccc(Cl)cc1 ZINC001248627701 1036002698 /nfs/dbraw/zinc/00/26/98/1036002698.db2.gz AYPOMKRBHWLAOD-VQTJNVASSA-N 1 0 391.943 3.595 20 30 GHEDRO CCCN(CCC)C(=O)c1ccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001243258332 1036084395 /nfs/dbraw/zinc/08/43/95/1036084395.db2.gz ZJRIQQQPEAXOOG-UHFFFAOYSA-N 1 0 390.531 3.897 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001248753013 1036110161 /nfs/dbraw/zinc/11/01/61/1036110161.db2.gz LWDOCMSTDCTVKV-LJQANCHMSA-N 1 0 377.463 3.880 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc(C(F)(F)F)cc1CC#N ZINC001244289031 1036463756 /nfs/dbraw/zinc/46/37/56/1036463756.db2.gz AVIAHSPJOGZFNH-UHFFFAOYSA-N 1 0 375.394 3.857 20 30 GHEDRO N#Cc1ccc(F)c(-c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)c1 ZINC001244553176 1036543549 /nfs/dbraw/zinc/54/35/49/1036543549.db2.gz VCQVHAFZZIEHDV-INIZCTEOSA-N 1 0 389.434 3.874 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC001462120459 1070012091 /nfs/dbraw/zinc/01/20/91/1070012091.db2.gz JZQHOTYEAQFEBQ-XLIONFOSSA-N 1 0 393.506 3.859 20 30 GHEDRO CCc1cc(-c2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)ccc1C#N ZINC001244951509 1036713764 /nfs/dbraw/zinc/71/37/64/1036713764.db2.gz BCJWMZTWCJGIKT-UHFFFAOYSA-N 1 0 388.515 3.883 20 30 GHEDRO N#CC1(c2cccnc2-c2cnc(N)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001245517261 1036943551 /nfs/dbraw/zinc/94/35/51/1036943551.db2.gz XRVAZFWNKRSDAS-UHFFFAOYSA-N 1 0 387.462 3.922 20 30 GHEDRO C[N@H+](CCNC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 ZINC001245791718 1036999990 /nfs/dbraw/zinc/99/99/90/1036999990.db2.gz NMQJJGBNGYMBEP-UHFFFAOYSA-N 1 0 392.450 3.995 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001245906344 1037050737 /nfs/dbraw/zinc/05/07/37/1037050737.db2.gz JKVYWLAQFLPMKO-JOCHJYFZSA-N 1 0 376.529 3.853 20 30 GHEDRO C[N@H+](Cc1cccc(F)c1)C1CCN(C(=S)Nc2ccc(C#N)cc2)CC1 ZINC001245915862 1037054868 /nfs/dbraw/zinc/05/48/68/1037054868.db2.gz RWKMQQMZLWKYLX-UHFFFAOYSA-N 1 0 382.508 3.991 20 30 GHEDRO ON=C(N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001246160252 1037217697 /nfs/dbraw/zinc/21/76/97/1037217697.db2.gz DNGLLBBZFPLXJE-IRXDYDNUSA-N 1 0 393.409 3.674 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246217546 1037243339 /nfs/dbraw/zinc/24/33/39/1037243339.db2.gz TUHOTBXHAZPMHJ-PUHATCMVSA-N 1 0 396.506 3.857 20 30 GHEDRO CCCCCCCCCC[N@H+]1C[C@@H]2CCN(S(=O)(=O)N(C)C)CC[C@@H]2C1 ZINC001278441803 1037280477 /nfs/dbraw/zinc/28/04/77/1037280477.db2.gz IDFNUEBULIGGOW-BGYRXZFFSA-N 1 0 387.634 3.577 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246483747 1037430034 /nfs/dbraw/zinc/43/00/34/1037430034.db2.gz VGKNHZZFGBISPO-QKNQBKEWSA-N 1 0 388.552 3.624 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)CN1 ZINC001246893100 1037708306 /nfs/dbraw/zinc/70/83/06/1037708306.db2.gz ULPURKDKEBXHED-YSZBQJHXSA-N 1 0 391.515 3.805 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)ccc1OCC)C2 ZINC001232383420 1038161477 /nfs/dbraw/zinc/16/14/77/1038161477.db2.gz SYZSIILDFPRTMB-VXKWHMMOSA-N 1 0 375.509 3.668 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(I)c(F)c1 ZINC001232491741 1038266968 /nfs/dbraw/zinc/26/69/68/1038266968.db2.gz YCORARYJAUOGHZ-UHFFFAOYSA-N 1 0 380.204 3.934 20 30 GHEDRO C=C[C@@H]1C[C@]1(N)c1nc(-c2ccc(Br)cc2OC(F)(F)F)no1 ZINC001247621606 1038278877 /nfs/dbraw/zinc/27/88/77/1038278877.db2.gz RGWVMNMBXWHZSI-FUXBKTLASA-N 1 0 390.159 3.758 20 30 GHEDRO C=CCC[C@H](N)c1nc(-c2ccccc2CS(=O)(=O)c2ccccc2)no1 ZINC001247622139 1038279248 /nfs/dbraw/zinc/27/92/48/1038279248.db2.gz GSJNECXSQCRITQ-SFHVURJKSA-N 1 0 383.473 3.677 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cncc(Br)c1C)C2 ZINC001232528115 1038293829 /nfs/dbraw/zinc/29/38/29/1038293829.db2.gz KGUYXJPHWYXRNU-OALUTQOASA-N 1 0 395.341 3.726 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(CC)s1 ZINC001277680647 1038322381 /nfs/dbraw/zinc/32/23/81/1038322381.db2.gz KAXFPIPZVXWYLW-HUUCEWRRSA-N 1 0 383.355 3.824 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(OCc3ccccc3)ccn1)C2 ZINC001232591182 1038363702 /nfs/dbraw/zinc/36/37/02/1038363702.db2.gz KTZOHUWSFMDTJG-ZEQRLZLVSA-N 1 0 394.515 3.987 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@H]3COC4(C3)CC[NH2+]CC4)n2)c(C#N)c1 ZINC001247837364 1038415526 /nfs/dbraw/zinc/41/55/26/1038415526.db2.gz WHKHNYQRXQZPGO-OAHLLOKOSA-N 1 0 380.492 3.607 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc([C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)n2)c1 ZINC001247849110 1038423197 /nfs/dbraw/zinc/42/31/97/1038423197.db2.gz JXHZGEIRGBCHBH-SFHVURJKSA-N 1 0 390.418 3.784 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(C[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)n2)cc1Cl ZINC001247886131 1038455663 /nfs/dbraw/zinc/45/56/63/1038455663.db2.gz PKXHRAPGDUJXBQ-BBATYDOGSA-N 1 0 393.274 3.616 20 30 GHEDRO CNc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001232669975 1038468809 /nfs/dbraw/zinc/46/88/09/1038468809.db2.gz IZLVJBLCTBDORD-DEOSSOPVSA-N 1 0 390.531 3.719 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(F)cc1F ZINC001232782679 1038550046 /nfs/dbraw/zinc/55/00/46/1038550046.db2.gz OUSGUPVOFRMCNP-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cccc(O)c4Cl)C3)CC2=O)c1 ZINC001232788065 1038555016 /nfs/dbraw/zinc/55/50/16/1038555016.db2.gz ZAHNZQPCONBJAH-OAQYLSRUSA-N 1 0 381.863 3.546 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)c(C)cc1OC)[C@@H]2CC ZINC001232830135 1038582469 /nfs/dbraw/zinc/58/24/69/1038582469.db2.gz IMRMATDGHBPWMM-GGAORHGYSA-N 1 0 386.536 3.934 20 30 GHEDRO COc1ccc(CN2CC[C@@]3(CCC[N@H+](Cc4ccc(C#N)s4)C3)C2=O)cc1 ZINC001232842488 1038593356 /nfs/dbraw/zinc/59/33/56/1038593356.db2.gz GWAHHOBBBFZOFQ-JOCHJYFZSA-N 1 0 395.528 3.643 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232844305 1038596521 /nfs/dbraw/zinc/59/65/21/1038596521.db2.gz YHDMMTPVPDPLFP-MRXNPFEDSA-N 1 0 393.553 3.858 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC(F)F)nc1)CC2 ZINC001232952184 1038730040 /nfs/dbraw/zinc/73/00/40/1038730040.db2.gz ICKNPQMXFVICLU-UHFFFAOYSA-N 1 0 395.450 3.684 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)nc1)[C@@H]2CC ZINC001232953045 1038731069 /nfs/dbraw/zinc/73/10/69/1038731069.db2.gz CGQWUHKQIMJOMQ-UZLBHIALSA-N 1 0 379.451 3.605 20 30 GHEDRO COCC[N@H+](Cc1ccc(C)cc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001232967787 1038741182 /nfs/dbraw/zinc/74/11/82/1038741182.db2.gz WCDMQURIMGZUEU-UHFFFAOYSA-N 1 0 387.524 3.715 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232968276 1038741313 /nfs/dbraw/zinc/74/13/13/1038741313.db2.gz GQMOTLZUPGORKW-UHFFFAOYSA-N 1 0 380.435 3.671 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(C#N)cc4C)C3)CC2=O)cc1 ZINC001233079712 1038846561 /nfs/dbraw/zinc/84/65/61/1038846561.db2.gz KQLGGXVKZZFUHZ-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001233081394 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MACSEXCZEMMKKC-UHFFFAOYSA-N 1 0 380.511 3.860 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc(C)c(C)c3)C[C@@H]2c2ccccc2)C1=O ZINC001233158660 1038932813 /nfs/dbraw/zinc/93/28/13/1038932813.db2.gz LTOCTLSOJYLHQY-VWNXMTODSA-N 1 0 375.516 3.703 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)cnc3OC(C)C)C2)C1=O ZINC001233163890 1038936630 /nfs/dbraw/zinc/93/66/30/1038936630.db2.gz OBXUYIRCUNFOEK-HXUWFJFHSA-N 1 0 377.916 3.523 20 30 GHEDRO C[C@](O)(C[NH2+][C@@H]1CCCCC1(C)C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252338807 1038946398 /nfs/dbraw/zinc/94/63/98/1038946398.db2.gz PFVJBZXWWGOSSZ-APWZRJJASA-N 1 0 397.441 3.825 20 30 GHEDRO CC(C)CC[C@H](C)[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340546 1038946447 /nfs/dbraw/zinc/94/64/47/1038946447.db2.gz RJGCJOQPRUEYDR-SCLBCKFNSA-N 1 0 385.430 3.681 20 30 GHEDRO N#Cc1ccc2[nH]cc(CC[NH2+]C[C@@H](O)COc3cccc4ccccc43)c2c1 ZINC001252397274 1038979226 /nfs/dbraw/zinc/97/92/26/1038979226.db2.gz AXQMGRYMDHSPSR-HXUWFJFHSA-N 1 0 385.467 3.765 20 30 GHEDRO C=C[C@](C)(O)CNC(=[NH2+])c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001252574670 1039036211 /nfs/dbraw/zinc/03/62/11/1039036211.db2.gz BQMOYQNNUODIPK-IBGZPJMESA-N 1 0 386.498 3.824 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21 ZINC001252584597 1039038543 /nfs/dbraw/zinc/03/85/43/1039038543.db2.gz CDJOMFCZHCAALA-DSNGMDLFSA-N 1 0 387.479 3.919 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC(c2cc3c(ncn3C)c(-c3cccnc3)n2)CC1 ZINC001252595863 1039041125 /nfs/dbraw/zinc/04/11/25/1039041125.db2.gz KYUCDIGSUGNCFW-IBGZPJMESA-N 1 0 391.519 3.537 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(CC1)c1ccccc1N(Cc1ccccc1)C2=O ZINC001252595649 1039041604 /nfs/dbraw/zinc/04/16/04/1039041604.db2.gz JFWAGTWVSOHDQG-NRFANRHFSA-N 1 0 390.527 3.894 20 30 GHEDRO C=CCC[C@@H](O)CNc1ccc(CN2CC[NH+](CC)CC2)c(C(F)(F)F)c1 ZINC001252609553 1039045799 /nfs/dbraw/zinc/04/57/99/1039045799.db2.gz XNIPLVYGVZIKJZ-GOSISDBHSA-N 1 0 385.474 3.582 20 30 GHEDRO C=CCC[C@@H](O)CNc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001252607441 1039045941 /nfs/dbraw/zinc/04/59/41/1039045941.db2.gz MTFCLURAFOXIRE-JOCHJYFZSA-N 1 0 385.552 3.516 20 30 GHEDRO C=CCC[C@H](O)CNc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001252607442 1039046146 /nfs/dbraw/zinc/04/61/46/1039046146.db2.gz MTFCLURAFOXIRE-QFIPXVFZSA-N 1 0 385.552 3.516 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC001233295259 1039082299 /nfs/dbraw/zinc/08/22/99/1039082299.db2.gz SPUUEWKUAXNFJW-QGZVFWFLSA-N 1 0 375.428 3.561 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@@H](O)CNC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001252769539 1039161530 /nfs/dbraw/zinc/16/15/30/1039161530.db2.gz PLCZXHABPUOELT-NRFANRHFSA-N 1 0 392.499 3.988 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]nc1-c1cc(F)cc(F)c1)C2 ZINC001233404519 1039250421 /nfs/dbraw/zinc/25/04/21/1039250421.db2.gz PRKBVCHONWHSBJ-PZJWPPBQSA-N 1 0 389.446 3.681 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c(Br)c1)[C@@H]2CC ZINC001233435738 1039314079 /nfs/dbraw/zinc/31/40/79/1039314079.db2.gz NAXOYIBKGCEJHQ-QAPCUYQASA-N 1 0 380.330 3.699 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001252989907 1039316372 /nfs/dbraw/zinc/31/63/72/1039316372.db2.gz UECXNJDYKHGBHK-RTWAWAEBSA-N 1 0 375.557 3.777 20 30 GHEDRO C#CCC[NH2+]C[C@@](O)(CCCCCCOc1ccc(Cl)cc1)C(=O)OCC ZINC001253035973 1039369528 /nfs/dbraw/zinc/36/95/28/1039369528.db2.gz QGKXISINMNLTEF-NRFANRHFSA-N 1 0 395.927 3.576 20 30 GHEDRO C#C[C@@H](C)[NH2+]C[C@](O)(CCCCCCOc1ccc(Cl)cc1)C(=O)OCC ZINC001253036367 1039369560 /nfs/dbraw/zinc/36/95/60/1039369560.db2.gz XPLWLDQUAJVYTO-DYESRHJHSA-N 1 0 395.927 3.575 20 30 GHEDRO N#CCCCC[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253226457 1039483981 /nfs/dbraw/zinc/48/39/81/1039483981.db2.gz PMDUGFCBSQSCIG-FQEVSTJZSA-N 1 0 391.471 3.836 20 30 GHEDRO C#CCCCC[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253231211 1039486436 /nfs/dbraw/zinc/48/64/36/1039486436.db2.gz MLHKONNTIXBBDQ-NRFANRHFSA-N 1 0 390.483 3.946 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCOC[C@@H]2NC(=O)C(C)C)CC1 ZINC001253237879 1039494786 /nfs/dbraw/zinc/49/47/86/1039494786.db2.gz NZYIKHRXBVAYMG-RTWAWAEBSA-N 1 0 394.600 3.517 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001253238158 1039494825 /nfs/dbraw/zinc/49/48/25/1039494825.db2.gz ANABJQMVAIZUBK-NNWRFLSQSA-N 1 0 388.527 3.603 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001253239248 1039496991 /nfs/dbraw/zinc/49/69/91/1039496991.db2.gz XBBAFHORNCCPDR-UFYCRDLUSA-N 1 0 377.598 3.927 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[NH+]1CCC(NC(=O)COC)CC1 ZINC001253565084 1039706330 /nfs/dbraw/zinc/70/63/30/1039706330.db2.gz JBXHAMFWRJKYMK-OAQYLSRUSA-N 1 0 384.605 3.885 20 30 GHEDRO C=C[C@H](O)C[N@@H+](Cc1cc(F)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587603 1039710774 /nfs/dbraw/zinc/71/07/74/1039710774.db2.gz MUVHJQUSPKEBCQ-FQEVSTJZSA-N 1 0 392.515 3.883 20 30 GHEDRO C=C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)c1cc(Cl)ccc1N2C(=O)OC(C)(C)C ZINC001253590538 1039713173 /nfs/dbraw/zinc/71/31/73/1039713173.db2.gz VRLXTSFFSIUKLH-ZVZYQTTQSA-N 1 0 378.900 3.800 20 30 GHEDRO C=C[C@H](O)C[NH2+]C1(Cc2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253607459 1039720767 /nfs/dbraw/zinc/72/07/67/1039720767.db2.gz XLJYVAFDZLZCHV-SFHVURJKSA-N 1 0 394.943 3.789 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H](CC)CO ZINC001253613639 1039721172 /nfs/dbraw/zinc/72/11/72/1039721172.db2.gz AOBATCXWPKEJML-LEWJYISDSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1ccncn1 ZINC001253613532 1039722112 /nfs/dbraw/zinc/72/21/12/1039722112.db2.gz BROHMOVTHXNECL-QFIPXVFZSA-N 1 0 395.588 3.881 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1C[C@H](CO)C1 ZINC001253613812 1039722167 /nfs/dbraw/zinc/72/21/67/1039722167.db2.gz FEUSCWBMSOQUKZ-YPAWHYETSA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001253613703 1039722244 /nfs/dbraw/zinc/72/22/44/1039722244.db2.gz AVOGHEDZWMPTTN-XPWALMASSA-N 1 0 399.616 3.880 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC1(F)COC1 ZINC001253614614 1039723243 /nfs/dbraw/zinc/72/32/43/1039723243.db2.gz ROYGLHYFRYUZQR-FQEVSTJZSA-N 1 0 391.568 3.630 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1COC[C@@H]1F ZINC001253616789 1039728018 /nfs/dbraw/zinc/72/80/18/1039728018.db2.gz IMSZUPFTXPGFTE-ACRUOGEOSA-N 1 0 391.568 3.628 20 30 GHEDRO Cc1cc(Br)cc(C#N)c1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001234009872 1039760640 /nfs/dbraw/zinc/76/06/40/1039760640.db2.gz IOYRFDWYDDVKRP-INIZCTEOSA-N 1 0 379.298 3.651 20 30 GHEDRO CCCCCCCC[N@H+](C)C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253869662 1039870445 /nfs/dbraw/zinc/87/04/45/1039870445.db2.gz LNCWHMXLUHLKTR-PMACEKPBSA-N 1 0 380.483 3.799 20 30 GHEDRO C=CCC[N@H+](Cc1ccccc1)C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253871695 1039872987 /nfs/dbraw/zinc/87/29/87/1039872987.db2.gz WKTIYAXQEZTPTR-FGZHOGPDSA-N 1 0 398.457 3.585 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@@H]4CC5(CO4)CC[NH2+]CC5)nn3)cc2)cc1 ZINC001254063289 1039980691 /nfs/dbraw/zinc/98/06/91/1039980691.db2.gz PYJMGNYGJLMWKT-QHCPKHFHSA-N 1 0 398.510 3.752 20 30 GHEDRO CCN1CC[C@@]2(CCC[N@@H+](C3CCC(C#N)(c4ccc(F)cc4)CC3)C2)C1=O ZINC001254358134 1040191321 /nfs/dbraw/zinc/19/13/21/1040191321.db2.gz WOMPVVZQSDKFAV-IQWMQGJTSA-N 1 0 383.511 3.864 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC1 ZINC001254358990 1040191510 /nfs/dbraw/zinc/19/15/10/1040191510.db2.gz DOACGPKBWWQGMX-OBXNSHGQSA-N 1 0 384.430 3.612 20 30 GHEDRO CC[C@]1(C)c2cc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc2N(C)C1=O ZINC001234708310 1040240642 /nfs/dbraw/zinc/24/06/42/1040240642.db2.gz YBTFBHHWKGSORF-HYBUGGRVSA-N 1 0 389.499 3.856 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001254475425 1040263134 /nfs/dbraw/zinc/26/31/34/1040263134.db2.gz WJURQICZGNDVPL-JOCHJYFZSA-N 1 0 379.479 3.553 20 30 GHEDRO COc1ccc2c(c1OC1CCCC1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC001234818338 1040347556 /nfs/dbraw/zinc/34/75/56/1040347556.db2.gz WLWYFKJGDXRXCG-LLJLJFOGSA-N 1 0 397.515 3.634 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCN(c3ccc(F)cc3)CC1)CCO2 ZINC001254627358 1040403723 /nfs/dbraw/zinc/40/37/23/1040403723.db2.gz BSMAICPQJMLIFV-AUSIDOKSSA-N 1 0 388.527 3.868 20 30 GHEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC001254630448 1040406718 /nfs/dbraw/zinc/40/67/18/1040406718.db2.gz OSKHJOHEEWNNNK-NRFANRHFSA-N 1 0 382.483 3.922 20 30 GHEDRO Cn1cnc2c1cc(C1CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC1)nc2-c1cccnc1 ZINC001254659279 1040423330 /nfs/dbraw/zinc/42/33/30/1040423330.db2.gz NFGOOUIWQNTVRI-QFBILLFUSA-N 1 0 386.503 3.902 20 30 GHEDRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)Oc2ccccc21 ZINC001254663167 1040424955 /nfs/dbraw/zinc/42/49/55/1040424955.db2.gz OWOVXNKQPQZFSY-ZCNNSNEGSA-N 1 0 395.547 3.994 20 30 GHEDRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254666685 1040426470 /nfs/dbraw/zinc/42/64/70/1040426470.db2.gz XLKAJMOQDCVOPI-PZJWPPBQSA-N 1 0 389.547 3.787 20 30 GHEDRO C=CCc1cccc(CN2CCc3ccc(OC)cc3C23CC[NH2+]CC3)c1O ZINC001235020065 1040511294 /nfs/dbraw/zinc/51/12/94/1040511294.db2.gz SFRVRDWSLJMAQS-UHFFFAOYSA-N 1 0 378.516 3.766 20 30 GHEDRO C=C(C)C(=O)OCC[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254789655 1040549584 /nfs/dbraw/zinc/54/95/84/1040549584.db2.gz HEEWJQCCRJSUNF-UHFFFAOYSA-N 1 0 380.529 3.655 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@@H+]1CCC3SC(=O)C=C3C1)CC2 ZINC001254877220 1040623733 /nfs/dbraw/zinc/62/37/33/1040623733.db2.gz FLQYMWZRGNHYEN-BATSVXPKSA-N 1 0 392.565 3.830 20 30 GHEDRO N#CCC[N@H+](Cc1ccccc1)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001255001589 1040722403 /nfs/dbraw/zinc/72/24/03/1040722403.db2.gz OXLRWHXQNAXKNV-CWAQXLGLSA-N 1 0 375.516 3.834 20 30 GHEDRO CC[C@H](CC#N)[NH+]1CCC2(C[C@H](COCC3CC3)N(C(=O)c3ccco3)C2)CC1 ZINC001255167962 1040883125 /nfs/dbraw/zinc/88/31/25/1040883125.db2.gz LEBJQOHUDZMWIC-WOJBJXKFSA-N 1 0 399.535 3.695 20 30 GHEDRO C=CCN1C(=O)[C@@]2(CC[N@@H+](Cc3cc(Br)co3)C2)c2ccccc21 ZINC001277946655 1040945164 /nfs/dbraw/zinc/94/51/64/1040945164.db2.gz BRYOPTFBGRYPBW-LJQANCHMSA-N 1 0 387.277 3.718 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC001235475751 1040953159 /nfs/dbraw/zinc/95/31/59/1040953159.db2.gz MZPOINKKKWJRPH-FGZHOGPDSA-N 1 0 375.516 3.961 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCC[C@@H](C(=O)OCC)C1)[C@H]2CC ZINC001255360618 1040962018 /nfs/dbraw/zinc/96/20/18/1040962018.db2.gz CWNDUMLCULZCFW-IWQHBPENSA-N 1 0 376.541 3.530 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001235513944 1040970794 /nfs/dbraw/zinc/97/07/94/1040970794.db2.gz MQHMHJRULNBVGO-GMAHTHKFSA-N 1 0 377.488 3.598 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3cccs3)C2)CC1 ZINC001235514837 1040970864 /nfs/dbraw/zinc/97/08/64/1040970864.db2.gz RVEKVUJOKRSSCN-UHFFFAOYSA-N 1 0 379.529 3.942 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001235516088 1040971743 /nfs/dbraw/zinc/97/17/43/1040971743.db2.gz YUPAGJQQTJXCRZ-HSZRJFAPSA-N 1 0 377.463 3.516 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccccc2CC#N)CC3)cs1 ZINC001235519056 1040973156 /nfs/dbraw/zinc/97/31/56/1040973156.db2.gz QJTPTDWNWKJEEZ-OAQYLSRUSA-N 1 0 397.544 3.858 20 30 GHEDRO CCc1cc(CN2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)ccc1C#N ZINC001235647650 1041090663 /nfs/dbraw/zinc/09/06/63/1041090663.db2.gz BESMKSSJJOAPSX-UHFFFAOYSA-N 1 0 377.536 3.755 20 30 GHEDRO COc1cccc(OC)c1C[NH+]1CCC(N[C@H](C#N)c2ccc(F)cc2)CC1 ZINC001255922959 1041411635 /nfs/dbraw/zinc/41/16/35/1041411635.db2.gz ADAATSDESCSGFZ-HXUWFJFHSA-N 1 0 383.467 3.662 20 30 GHEDRO COc1cccc(OC)c1C[NH+]1CCC(NC(=[NH2+])c2ccc(C)c(C)c2)CC1 ZINC001255930557 1041419715 /nfs/dbraw/zinc/41/97/15/1041419715.db2.gz TTZUMPGLXODQSN-UHFFFAOYSA-N 1 0 381.520 3.691 20 30 GHEDRO CN(CCC#N)c1ccc(CN(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)cc1 ZINC001235935663 1041439400 /nfs/dbraw/zinc/43/94/00/1041439400.db2.gz WAJRPVGGENJVCB-DHIUTWEWSA-N 1 0 380.511 3.739 20 30 GHEDRO Cn1cc(CN(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)c2cc(C#N)ccc21 ZINC001235935967 1041439867 /nfs/dbraw/zinc/43/98/67/1041439867.db2.gz YVPLURQRLOOMHJ-FYYLOGMGSA-N 1 0 376.479 3.752 20 30 GHEDRO COc1cc(N2CCC([NH2+][C@@H]3CCc4c3cccc4C#N)CC2)ccc1[N+](=O)[O-] ZINC001256090776 1041519551 /nfs/dbraw/zinc/51/95/51/1041519551.db2.gz YBIQCAQJWBOSFS-HXUWFJFHSA-N 1 0 392.459 3.721 20 30 GHEDRO COc1cc(OC(F)(F)F)ccc1-c1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001236379707 1041690677 /nfs/dbraw/zinc/69/06/77/1041690677.db2.gz BDDPHQJEVITUQO-UHFFFAOYSA-N 1 0 377.366 3.542 20 30 GHEDRO C=CCOc1cccc(CN(Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c1 ZINC001236466577 1041727969 /nfs/dbraw/zinc/72/79/69/1041727969.db2.gz KMGRCXBVUOUEMV-UHFFFAOYSA-N 1 0 394.515 3.792 20 30 GHEDRO COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(C#N)c(Br)c1)C2 ZINC001236856277 1041930580 /nfs/dbraw/zinc/93/05/80/1041930580.db2.gz IWSVRPRDGIPSCP-LPHOPBHVSA-N 1 0 393.325 3.728 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c2cc(C#N)ccc21 ZINC001237464512 1042218825 /nfs/dbraw/zinc/21/88/25/1042218825.db2.gz DQSVIHDLRANQME-UTKZUKDTSA-N 1 0 394.519 3.881 20 30 GHEDRO Cn1cc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c2cc(C#N)ccc21 ZINC001237468762 1042221221 /nfs/dbraw/zinc/22/12/21/1042221221.db2.gz PAHVZVZOZNQBKF-HDICACEKSA-N 1 0 394.519 3.739 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2cn(C)c3ccc(C#N)cc23)CCN1C(=O)OC(C)(C)C ZINC001237468608 1042221352 /nfs/dbraw/zinc/22/13/52/1042221352.db2.gz OQJFHWRIWUPAFW-INIZCTEOSA-N 1 0 382.508 3.881 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237471464 1042223055 /nfs/dbraw/zinc/22/30/55/1042223055.db2.gz FEJXHMIHLFRVCO-CRAIPNDOSA-N 1 0 382.508 3.785 20 30 GHEDRO CCOC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001237484177 1042228757 /nfs/dbraw/zinc/22/87/57/1042228757.db2.gz QSACRAPJTLVZKA-JOCHJYFZSA-N 1 0 378.472 3.707 20 30 GHEDRO COC(=O)Cc1cccc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001237488273 1042231305 /nfs/dbraw/zinc/23/13/05/1042231305.db2.gz NLXCGFNASMOMHT-UHFFFAOYSA-N 1 0 398.890 3.971 20 30 GHEDRO CCC[N@H+](Cc1cn2cc(C#N)ccc2n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001237618162 1042283969 /nfs/dbraw/zinc/28/39/69/1042283969.db2.gz POJXJPCVXKQUHH-UHFFFAOYSA-N 1 0 397.523 3.817 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c1 ZINC001237751694 1042353722 /nfs/dbraw/zinc/35/37/22/1042353722.db2.gz ZGPZAUTZEXRGPT-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001237854733 1042396355 /nfs/dbraw/zinc/39/63/55/1042396355.db2.gz XPWRPXGJBDQODI-UHFFFAOYSA-N 1 0 385.549 3.855 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1[nH]c(-c3ccc[nH]3)cc1OC)C2 ZINC001237879755 1042406985 /nfs/dbraw/zinc/40/69/85/1042406985.db2.gz VISCBBNLWUSVDH-QFIPXVFZSA-N 1 0 382.508 3.552 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccccc3C3CCOCC3)CC2)c(F)c1 ZINC001237908810 1042419155 /nfs/dbraw/zinc/41/91/55/1042419155.db2.gz KMPMBTBKEDQYPM-UHFFFAOYSA-N 1 0 379.479 3.914 20 30 GHEDRO CCOC(=O)COc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c1 ZINC001237919788 1042422512 /nfs/dbraw/zinc/42/25/12/1042422512.db2.gz RXBSCXAEWABOLO-OAQYLSRUSA-N 1 0 394.471 3.544 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046406 1042472254 /nfs/dbraw/zinc/47/22/54/1042472254.db2.gz RASPGXSSOVUDND-LAUBAEHRSA-N 1 0 393.911 3.843 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046407 1042472362 /nfs/dbraw/zinc/47/23/62/1042472362.db2.gz RASPGXSSOVUDND-UTKZUKDTSA-N 1 0 393.911 3.843 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)ccc1Cl ZINC001238192350 1042515541 /nfs/dbraw/zinc/51/55/41/1042515541.db2.gz RHFBVMBKJSANTF-LJQANCHMSA-N 1 0 383.879 3.809 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cccc(-c3cccs3)n2)CC1 ZINC001238218246 1042523541 /nfs/dbraw/zinc/52/35/41/1042523541.db2.gz UYUHFSORWZRPKM-UHFFFAOYSA-N 1 0 382.577 3.602 20 30 GHEDRO COc1cc(C[N@H+](C2CC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238414838 1042588818 /nfs/dbraw/zinc/58/88/18/1042588818.db2.gz BNMXCDRMESREAL-IBGZPJMESA-N 1 0 385.508 3.931 20 30 GHEDRO Cc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cnc1C1CC1 ZINC001238630767 1042664289 /nfs/dbraw/zinc/66/42/89/1042664289.db2.gz HJNFAKIYGPHDGP-UHFFFAOYSA-N 1 0 389.503 3.925 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cc(F)c(F)cc3OCC)C2)C1 ZINC001238652513 1042670739 /nfs/dbraw/zinc/67/07/39/1042670739.db2.gz QSLGZLSRBJTIOY-NRFANRHFSA-N 1 0 394.462 3.974 20 30 GHEDRO COc1ccc(-c2ccncc2)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001238654558 1042672010 /nfs/dbraw/zinc/67/20/10/1042672010.db2.gz SWCBWRJHUCWKHB-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)ccc1C#N ZINC001238761906 1042718166 /nfs/dbraw/zinc/71/81/66/1042718166.db2.gz YYKAOKFOXPQNGI-UHFFFAOYSA-N 1 0 377.488 3.984 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)ccc1C#N ZINC001238763264 1042719137 /nfs/dbraw/zinc/71/91/37/1042719137.db2.gz QXBYKVLYPRUZNL-DNVJHFABSA-N 1 0 377.488 3.717 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001238998710 1042757212 /nfs/dbraw/zinc/75/72/12/1042757212.db2.gz ZOMYKORJNZOWDK-UHFFFAOYSA-N 1 0 388.618 3.692 20 30 GHEDRO Cc1ccc(S(=O)(=O)N(CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1C#N ZINC001239165682 1042777892 /nfs/dbraw/zinc/77/78/92/1042777892.db2.gz NRMORVBIFXQQCJ-MXVIHJGJSA-N 1 0 389.565 3.708 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001239223572 1042789595 /nfs/dbraw/zinc/78/95/95/1042789595.db2.gz OTBRYVLTNVVKFQ-GFCCVEGCSA-N 1 0 387.299 3.897 20 30 GHEDRO N#Cc1cc(NC(=O)Oc2ccccc2C(F)(F)F)ccc1N1CC[NH2+]CC1 ZINC001239312584 1042807618 /nfs/dbraw/zinc/80/76/18/1042807618.db2.gz MNMFUKBCJNDSPU-UHFFFAOYSA-N 1 0 390.365 3.598 20 30 GHEDRO N#Cc1cc(NC(=S)NCC[NH3+])ccc1Sc1cccc(C(F)(F)F)c1 ZINC001239342446 1042810670 /nfs/dbraw/zinc/81/06/70/1042810670.db2.gz CGEXHSCQIKEQMV-UHFFFAOYSA-N 1 0 396.463 3.973 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001239382480 1042817994 /nfs/dbraw/zinc/81/79/94/1042817994.db2.gz IODXVHCQBZBKKX-UHFFFAOYSA-N 1 0 384.936 3.819 20 30 GHEDRO CC(C)CNC(=O)c1cccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001240092554 1042886466 /nfs/dbraw/zinc/88/64/66/1042886466.db2.gz GHZUGSKVHHNWBD-UHFFFAOYSA-N 1 0 377.488 3.742 20 30 GHEDRO CC(C)(C)[NH2+]Cc1ccc(-c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)cc1 ZINC001240368358 1042923533 /nfs/dbraw/zinc/92/35/33/1042923533.db2.gz TXOSAMXQCFGOCX-QGZVFWFLSA-N 1 0 380.492 3.981 20 30 GHEDRO CC1CC[NH+](CCCn2c(C3CC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001291182633 1043144603 /nfs/dbraw/zinc/14/46/03/1043144603.db2.gz SHAAOGRJQOGPTE-UHFFFAOYSA-N 1 0 392.551 3.786 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001291505289 1043313546 /nfs/dbraw/zinc/31/35/46/1043313546.db2.gz GPCCJPXHMHJEHT-BBTUJRGHSA-N 1 0 390.551 3.888 20 30 GHEDRO C[C@H]1C[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557459 1043527847 /nfs/dbraw/zinc/52/78/47/1043527847.db2.gz JNABBOMEBZLQCV-SIKLNZKXSA-N 1 0 392.522 3.872 20 30 GHEDRO COC(=O)CC1CCC([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001256976295 1043780775 /nfs/dbraw/zinc/78/07/75/1043780775.db2.gz AEJSADCNDXZONW-FPPRHVDESA-N 1 0 395.503 3.816 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1O ZINC001257019969 1043804568 /nfs/dbraw/zinc/80/45/68/1043804568.db2.gz XYRQREFNIIUVHZ-TZWRJOPASA-N 1 0 399.535 3.544 20 30 GHEDRO COc1ccnc(O[C@@H]2CCC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)n1 ZINC001257021814 1043804888 /nfs/dbraw/zinc/80/48/88/1043804888.db2.gz CGCVHRWKPCSIQJ-XVAXZDLZSA-N 1 0 392.503 3.926 20 30 GHEDRO N#Cc1ccc(C2CCC(n3ccc4c3ncnc4N3CC[NH2+]CC3)CC2)cc1 ZINC001257021715 1043805175 /nfs/dbraw/zinc/80/51/75/1043805175.db2.gz AIVJERKWFBDOCV-UHFFFAOYSA-N 1 0 386.503 3.611 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](CC)C2)C1 ZINC001257142166 1043892532 /nfs/dbraw/zinc/89/25/32/1043892532.db2.gz HWAYBKURKXYYTK-KZNAEPCWSA-N 1 0 395.544 3.541 20 30 GHEDRO C[N@H+](CCc1ccccc1)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC001292881747 1043928267 /nfs/dbraw/zinc/92/82/67/1043928267.db2.gz UFYMYGZPXICUIB-QGZVFWFLSA-N 1 0 376.287 3.849 20 30 GHEDRO C#CCCN1CCC[C@@H]([NH2+][C@@H](C)CCc2ccc3cc(OC)ccc3c2)C1=O ZINC001257279477 1043954105 /nfs/dbraw/zinc/95/41/05/1043954105.db2.gz NLLHMXHEIPYZRF-FDDCHVKYSA-N 1 0 378.516 3.773 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCC(CC#N)CC1 ZINC001293374563 1044141849 /nfs/dbraw/zinc/14/18/49/1044141849.db2.gz WLGVBSGLZYZBSU-FQEVSTJZSA-N 1 0 386.588 3.871 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001293428086 1044172964 /nfs/dbraw/zinc/17/29/64/1044172964.db2.gz XYSPVEPOFDCUCB-ICSRJNTNSA-N 1 0 378.524 3.537 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3Cc4cncn4C[C@@H](COc4ccccn4)C3)C[C@H](C1)C2 ZINC001257893498 1044248961 /nfs/dbraw/zinc/24/89/61/1044248961.db2.gz SKVXYXFCYGIIGH-HWPVKAJDSA-N 1 0 378.520 3.924 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)C[C@H](C1)C2 ZINC001257895667 1044250202 /nfs/dbraw/zinc/25/02/02/1044250202.db2.gz XIJXFHRMANIVRJ-XEWABKELSA-N 1 0 379.504 3.789 20 30 GHEDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc(C(C)(C)CCC#N)cc3)o2)C[C@@H](C)O1 ZINC001258019612 1044344981 /nfs/dbraw/zinc/34/49/81/1044344981.db2.gz NXJHOTYFDOFPAK-IAGOWNOFSA-N 1 0 382.508 3.970 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccnc2)C1 ZINC001258044000 1044367681 /nfs/dbraw/zinc/36/76/81/1044367681.db2.gz ILZPDAZURTZXKT-XKCSPQBFSA-N 1 0 387.568 3.928 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001258047525 1044368872 /nfs/dbraw/zinc/36/88/72/1044368872.db2.gz LRFNTEVCQQWTHZ-VWPQPMDRSA-N 1 0 380.573 3.608 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2cccnc2)C1 ZINC001258048288 1044371103 /nfs/dbraw/zinc/37/11/03/1044371103.db2.gz SHJQWWUERXRVFE-JKLQHZFJSA-N 1 0 387.568 3.784 20 30 GHEDRO CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001293905108 1044372335 /nfs/dbraw/zinc/37/23/35/1044372335.db2.gz MZJSWNSQSLGJLV-IAGOWNOFSA-N 1 0 380.540 3.924 20 30 GHEDRO CSc1ccc(C[NH+]2CCC3(CN(Cc4cc(C#N)n(C)c4)C3)CC2)s1 ZINC001279077237 1044416334 /nfs/dbraw/zinc/41/63/34/1044416334.db2.gz NQIYPFXTZBMYOJ-UHFFFAOYSA-N 1 0 386.590 3.778 20 30 GHEDRO CC1(C)CCC[C@@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)C1 ZINC001258287393 1044492817 /nfs/dbraw/zinc/49/28/17/1044492817.db2.gz ZMSQKOYHPFUIAU-OFNKIYASSA-N 1 0 382.552 3.841 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)Cc3cccnc3)C[C@@H]2c2ccccc2)C1=O ZINC001258625278 1044672958 /nfs/dbraw/zinc/67/29/58/1044672958.db2.gz QXEKVTICJBVQFM-KWOQKUFVSA-N 1 0 375.516 3.517 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001258714708 1044732884 /nfs/dbraw/zinc/73/28/84/1044732884.db2.gz USKLPPBPQBCSLM-OAQYLSRUSA-N 1 0 386.646 3.956 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C#N)CC1 ZINC001294698920 1044768076 /nfs/dbraw/zinc/76/80/76/1044768076.db2.gz LDDKVHUKXLMUQI-IBGZPJMESA-N 1 0 396.539 3.851 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(C)c(C#N)c(C)c2)cc1 ZINC001295212189 1044951910 /nfs/dbraw/zinc/95/19/10/1044951910.db2.gz NFLLTKQZFAUVGE-JOCHJYFZSA-N 1 0 377.488 3.751 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001295553718 1045050660 /nfs/dbraw/zinc/05/06/60/1045050660.db2.gz JPKAJHDRDPFMES-UTKZUKDTSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2C)C[C@@H]1C ZINC001296147303 1045264578 /nfs/dbraw/zinc/26/45/78/1045264578.db2.gz NLZWAOGFBJKFQP-WFXMLNOXSA-N 1 0 392.551 3.783 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC001298028519 1045679841 /nfs/dbraw/zinc/67/98/41/1045679841.db2.gz LDCLJKPKAPESES-DENIHFKCSA-N 1 0 378.524 3.588 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CC(C)(C)C[NH+](C)C ZINC001298075973 1045697165 /nfs/dbraw/zinc/69/71/65/1045697165.db2.gz IQVYNWHAGJAXIB-UHFFFAOYSA-N 1 0 396.583 3.963 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2sc(C3CCCCC3)cc2C(=O)OC)CC1 ZINC001462975684 1070703255 /nfs/dbraw/zinc/70/32/55/1070703255.db2.gz HRQPWQILPYPYFC-UHFFFAOYSA-N 1 0 388.533 3.866 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1 ZINC001298885275 1045975106 /nfs/dbraw/zinc/97/51/06/1045975106.db2.gz IPYFYTMIRFHQFJ-SFHVURJKSA-N 1 0 395.555 3.524 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(C2CCC2)nnc1N(CCC#N)CC1CC1 ZINC001298885394 1045975191 /nfs/dbraw/zinc/97/51/91/1045975191.db2.gz IZUXUCXMCIIBPP-IBGZPJMESA-N 1 0 384.572 3.796 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CC[N@H+]1CC=CCC1 ZINC001300797782 1046166464 /nfs/dbraw/zinc/16/64/64/1046166464.db2.gz HWPWTCDQRIDVKN-HSZRJFAPSA-N 1 0 375.520 3.508 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@@H](C)[NH+](CC)CC ZINC001300800490 1046169027 /nfs/dbraw/zinc/16/90/27/1046169027.db2.gz UDDJPSWKEJLGNA-WZONZLPQSA-N 1 0 395.551 3.676 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCC[NH+](C(C)C)C(C)C ZINC001300800487 1046169305 /nfs/dbraw/zinc/16/93/05/1046169305.db2.gz UCDWAMVTYKYIFK-HSZRJFAPSA-N 1 0 394.567 3.841 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC[N@@H+](CC)CCC ZINC001300813192 1046182988 /nfs/dbraw/zinc/18/29/88/1046182988.db2.gz DMRBZQWOQOBWJJ-XMMPIXPASA-N 1 0 393.579 3.787 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001301080429 1046325948 /nfs/dbraw/zinc/32/59/48/1046325948.db2.gz TUXNHJWEFINGDG-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001301086591 1046330624 /nfs/dbraw/zinc/33/06/24/1046330624.db2.gz XVJFGHOHYXVKKK-RTBURBONSA-N 1 0 375.561 3.652 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301087459 1046331330 /nfs/dbraw/zinc/33/13/30/1046331330.db2.gz IBYMXHGQLPECIU-HXUWFJFHSA-N 1 0 394.567 3.685 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001301087499 1046331505 /nfs/dbraw/zinc/33/15/05/1046331505.db2.gz JPIHXRMFAMISGV-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CC1CCN(c2nnc(CC)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001301126928 1046361187 /nfs/dbraw/zinc/36/11/87/1046361187.db2.gz FMQPOLVPSFWKCA-GOSISDBHSA-N 1 0 379.552 3.690 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](C)[NH+](C)C)CC1 ZINC001301129166 1046361621 /nfs/dbraw/zinc/36/16/21/1046361621.db2.gz LDYMCQJDJZCVCX-KRWDZBQOSA-N 1 0 392.551 3.703 20 30 GHEDRO C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301177415 1046389238 /nfs/dbraw/zinc/38/92/38/1046389238.db2.gz ZMJXCYAXYDSLOV-NQIIRXRSSA-N 1 0 390.535 3.846 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001262944162 1046440852 /nfs/dbraw/zinc/44/08/52/1046440852.db2.gz JIPHUMGSBVNNDF-PMACEKPBSA-N 1 0 392.551 3.972 20 30 GHEDRO C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001301304986 1046466333 /nfs/dbraw/zinc/46/63/33/1046466333.db2.gz MQLNWJDPMBQFPC-IBGZPJMESA-N 1 0 397.567 3.828 20 30 GHEDRO C=CCN(C)c1nnc(CC2CC2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001301305667 1046467452 /nfs/dbraw/zinc/46/74/52/1046467452.db2.gz KMJPLTGCQYWFPC-XLIONFOSSA-N 1 0 385.581 3.997 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1CCCC1)C1CC1 ZINC001301321190 1046482981 /nfs/dbraw/zinc/48/29/81/1046482981.db2.gz YUASBGWPTAYZPM-UHFFFAOYSA-N 1 0 386.931 3.634 20 30 GHEDRO C=CCN(c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCCC1)C1CC1 ZINC001301329884 1046492513 /nfs/dbraw/zinc/49/25/13/1046492513.db2.gz FQPSPZLICXGKGF-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccn2)n1CC1([NH+](C)C)CCCCC1)C1CC1 ZINC001301330294 1046494343 /nfs/dbraw/zinc/49/43/43/1046494343.db2.gz JUCDZBFRDBKRHC-UHFFFAOYSA-N 1 0 394.567 3.683 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(CC)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C ZINC001301367342 1046512527 /nfs/dbraw/zinc/51/25/27/1046512527.db2.gz MOUBLWZEVBRLRW-GUDVDZBRSA-N 1 0 391.629 3.869 20 30 GHEDRO C=CCN(CC=C)c1nnc(CC(C)(C)C)n1CC1(SC)CC[NH+](C)CC1 ZINC001301401544 1046527533 /nfs/dbraw/zinc/52/75/33/1046527533.db2.gz ALUWQBISLDMPTP-UHFFFAOYSA-N 1 0 391.629 3.873 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1ccccc1 ZINC001263132292 1046577549 /nfs/dbraw/zinc/57/75/49/1046577549.db2.gz OWJPTKQPVSGBTC-PZJWPPBQSA-N 1 0 392.551 3.798 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001301544954 1046590287 /nfs/dbraw/zinc/59/02/87/1046590287.db2.gz BIDNGBWHMJROPG-WOJBJXKFSA-N 1 0 397.567 3.765 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)[C@@H](C)CC)C1 ZINC001301547245 1046591802 /nfs/dbraw/zinc/59/18/02/1046591802.db2.gz XVUZVBUAEHYPGC-VQTJNVASSA-N 1 0 397.567 3.765 20 30 GHEDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001263257298 1046660362 /nfs/dbraw/zinc/66/03/62/1046660362.db2.gz QFJJNZCQRLFNDJ-RISCZKNCSA-N 1 0 398.322 3.929 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001263278893 1046673063 /nfs/dbraw/zinc/67/30/63/1046673063.db2.gz SVFZMGOYPASYLS-CTNGQTDRSA-N 1 0 399.583 3.797 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001301953542 1046759223 /nfs/dbraw/zinc/75/92/23/1046759223.db2.gz SSFOOALHWCXVHE-DLBZAZTESA-N 1 0 384.528 3.602 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301964453 1046765027 /nfs/dbraw/zinc/76/50/27/1046765027.db2.gz AFXDQTWSYOGUCM-OTWHNJEPSA-N 1 0 386.588 3.900 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001263406138 1046789655 /nfs/dbraw/zinc/78/96/55/1046789655.db2.gz YWQLDQCZQHWCFK-SLFFLAALSA-N 1 0 384.572 3.509 20 30 GHEDRO N#Cc1ccccc1N1CCC(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC001302061388 1046797149 /nfs/dbraw/zinc/79/71/49/1046797149.db2.gz UIUKFDBCPIGBHI-UHFFFAOYSA-N 1 0 387.487 3.561 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001303177181 1047305956 /nfs/dbraw/zinc/30/59/56/1047305956.db2.gz GYFIINJKQVMBAE-RTBURBONSA-N 1 0 386.588 3.900 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001303277816 1047339944 /nfs/dbraw/zinc/33/99/44/1047339944.db2.gz VMUMNLLKFKHZBC-UHFFFAOYSA-N 1 0 394.567 3.534 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303628184 1047455126 /nfs/dbraw/zinc/45/51/26/1047455126.db2.gz UPKBIODKVYEVPL-CVEARBPZSA-N 1 0 398.942 3.821 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)CC1 ZINC001303791774 1047513138 /nfs/dbraw/zinc/51/31/38/1047513138.db2.gz AYLLRNHNIRIJQY-OAQYLSRUSA-N 1 0 382.504 3.873 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CC2)C1 ZINC001304924668 1047809566 /nfs/dbraw/zinc/80/95/66/1047809566.db2.gz KFCUKWVDKRXZDJ-HDICACEKSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304985595 1047829435 /nfs/dbraw/zinc/82/94/35/1047829435.db2.gz WBHLZUKZOQTKRP-JBYIUTFZSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024141 1047839921 /nfs/dbraw/zinc/83/99/21/1047839921.db2.gz WRQNQIXUIMYHTB-MSOLQXFVSA-N 1 0 395.555 3.589 20 30 GHEDRO CCN(C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1sc(N)c(C#N)c1Cl)C2)C(C)C ZINC001280078315 1048072375 /nfs/dbraw/zinc/07/23/75/1048072375.db2.gz IFUCFPNKRNKFOE-YWVIFJGQSA-N 1 0 394.972 3.570 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N(C)C[C@@H](C)C#N)[NH+](C)C ZINC001305711257 1048226473 /nfs/dbraw/zinc/22/64/73/1048226473.db2.gz ZPNQQTDMVDNEFZ-FXAWDEMLSA-N 1 0 382.556 3.907 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCCCC[NH+]1CCCC1 ZINC001286278841 1048249888 /nfs/dbraw/zinc/24/98/88/1048249888.db2.gz HEOMKIJSTHCKGT-IBGZPJMESA-N 1 0 395.551 3.678 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@@H+](C)C(C)C ZINC001286286428 1048255374 /nfs/dbraw/zinc/25/53/74/1048255374.db2.gz XZHHHXDGPYKINI-QGZVFWFLSA-N 1 0 378.524 3.615 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001286289286 1048257071 /nfs/dbraw/zinc/25/70/71/1048257071.db2.gz LDEWJBBIHCDLEC-MSOLQXFVSA-N 1 0 383.515 3.807 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001286295159 1048260215 /nfs/dbraw/zinc/26/02/15/1048260215.db2.gz YRVNEBSZQISUKC-IBGZPJMESA-N 1 0 379.552 3.916 20 30 GHEDRO C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[NH+](CC)CC ZINC001286364005 1048290603 /nfs/dbraw/zinc/29/06/03/1048290603.db2.gz WNWAHJQNKVRHBU-UHFFFAOYSA-N 1 0 379.552 3.549 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCCCC[NH+]1CCCCC1 ZINC001286405756 1048306249 /nfs/dbraw/zinc/30/62/49/1048306249.db2.gz KFLAZXAYZZEUAE-UHFFFAOYSA-N 1 0 393.535 3.576 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001286436835 1048320225 /nfs/dbraw/zinc/32/02/25/1048320225.db2.gz XKZKQLUQPAURLE-KRWDZBQOSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286442236 1048324178 /nfs/dbraw/zinc/32/41/78/1048324178.db2.gz QVBRESZLZSMIQB-OAQYLSRUSA-N 1 0 390.535 3.816 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1CC[N@H+]1CCCC[C@H]1CC ZINC001286454615 1048331531 /nfs/dbraw/zinc/33/15/31/1048331531.db2.gz LXLSQODNYQDIHQ-OAQYLSRUSA-N 1 0 383.515 3.630 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001286519499 1048346143 /nfs/dbraw/zinc/34/61/43/1048346143.db2.gz FGEBWBWDOGTKBO-JOCHJYFZSA-N 1 0 392.551 3.597 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1C[C@H](C1CC1)[NH+](C)C ZINC001286581257 1048373744 /nfs/dbraw/zinc/37/37/44/1048373744.db2.gz NZVQPXGFLAYJST-OAQYLSRUSA-N 1 0 381.568 3.920 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001286583908 1048377069 /nfs/dbraw/zinc/37/70/69/1048377069.db2.gz SHSVZGHBIFXMMC-HXUWFJFHSA-N 1 0 381.568 3.950 20 30 GHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286596153 1048381733 /nfs/dbraw/zinc/38/17/33/1048381733.db2.gz XXFHWLJOOOBPAZ-UHFFFAOYSA-N 1 0 381.568 3.950 20 30 GHEDRO C=C(Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC001286620035 1048392592 /nfs/dbraw/zinc/39/25/92/1048392592.db2.gz ZBIJYESQFRLNBX-SVFBPWRDSA-N 1 0 395.551 3.762 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001286624541 1048394338 /nfs/dbraw/zinc/39/43/38/1048394338.db2.gz JFESCVWPAVXPRT-SFHVURJKSA-N 1 0 398.942 3.737 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001286639637 1048406646 /nfs/dbraw/zinc/40/66/46/1048406646.db2.gz BRVJVWFRSUZMJI-KRWDZBQOSA-N 1 0 398.511 3.740 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001286641235 1048408095 /nfs/dbraw/zinc/40/80/95/1048408095.db2.gz UJOJSOKEXOGXMV-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO C=C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001286649674 1048417418 /nfs/dbraw/zinc/41/74/18/1048417418.db2.gz ZXEBJUVOMJNQAB-UHFFFAOYSA-N 1 0 397.567 3.786 20 30 GHEDRO CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H](C)[NH+](CC)CC ZINC001306096260 1048420474 /nfs/dbraw/zinc/42/04/74/1048420474.db2.gz KARJLQVSAYPEBM-KRWDZBQOSA-N 1 0 380.540 3.611 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286662006 1048427625 /nfs/dbraw/zinc/42/76/25/1048427625.db2.gz SJLMIHNXMDXROU-LJQANCHMSA-N 1 0 382.556 3.796 20 30 GHEDRO C=CCCOCCn1c([C@@H](C)CC)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286706108 1048465032 /nfs/dbraw/zinc/46/50/32/1048465032.db2.gz JYLKXPUCDXFJEK-OALUTQOASA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001286719471 1048474329 /nfs/dbraw/zinc/47/43/29/1048474329.db2.gz OHIZUGSJQSMXBM-HXUWFJFHSA-N 1 0 392.551 3.807 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccn2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001286721363 1048478351 /nfs/dbraw/zinc/47/83/51/1048478351.db2.gz YIJQYLCEAUVSMJ-GOSISDBHSA-N 1 0 394.548 3.861 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001286723475 1048480810 /nfs/dbraw/zinc/48/08/10/1048480810.db2.gz PSFLATJSANEBOE-RTBURBONSA-N 1 0 387.503 3.584 20 30 GHEDRO C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)[NH+](C)C ZINC001286729436 1048485836 /nfs/dbraw/zinc/48/58/36/1048485836.db2.gz SWDBUIXWXHLOJP-GOSISDBHSA-N 1 0 385.556 3.861 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001286731032 1048488666 /nfs/dbraw/zinc/48/86/66/1048488666.db2.gz XEARISAHCAKQOX-FQEVSTJZSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1cccs1)[NH+](C)C)C1CC1 ZINC001286733927 1048492350 /nfs/dbraw/zinc/49/23/50/1048492350.db2.gz KJTKNEYQSKXEEI-SFHVURJKSA-N 1 0 396.564 3.803 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccc2OC)n1CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC001286736032 1048494442 /nfs/dbraw/zinc/49/44/42/1048494442.db2.gz XHTJKIOGRUABGU-GOSISDBHSA-N 1 0 395.551 3.517 20 30 GHEDRO C=CCN(c1nnc(CC(C)C)n1CC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC001286736107 1048494456 /nfs/dbraw/zinc/49/44/56/1048494456.db2.gz ZVIFOQAPBQJWIB-UHFFFAOYSA-N 1 0 393.579 3.731 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCC[C@@H]1C ZINC001286752682 1048505506 /nfs/dbraw/zinc/50/55/06/1048505506.db2.gz DMRXXLRJNYDDCT-KRWDZBQOSA-N 1 0 396.495 3.516 20 30 GHEDRO C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001286769761 1048519430 /nfs/dbraw/zinc/51/94/30/1048519430.db2.gz QJQPCYIUSWJKNH-UHFFFAOYSA-N 1 0 383.540 3.696 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286970406 1048562277 /nfs/dbraw/zinc/56/22/77/1048562277.db2.gz NZNIFISLEMQKRT-CEXWTWQISA-N 1 0 386.588 3.585 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286970409 1048562466 /nfs/dbraw/zinc/56/24/66/1048562466.db2.gz NZNIFISLEMQKRT-OTWHNJEPSA-N 1 0 386.588 3.585 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC1)C(C)C ZINC001287954018 1048956159 /nfs/dbraw/zinc/95/61/59/1048956159.db2.gz AHRTXXDUKBCORA-UHFFFAOYSA-N 1 0 380.540 3.924 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1 ZINC001307060975 1049047946 /nfs/dbraw/zinc/04/79/46/1049047946.db2.gz CFPODTYIOFFUNU-SFHVURJKSA-N 1 0 395.555 3.668 20 30 GHEDRO COc1ccc(C[C@@](C)([NH3+])CNc2nccc(Oc3cccc(C#N)c3)n2)cc1 ZINC001307070675 1049053424 /nfs/dbraw/zinc/05/34/24/1049053424.db2.gz AONKXAQWOSACAW-JOCHJYFZSA-N 1 0 389.459 3.521 20 30 GHEDRO N#Cc1cccc(C2(C(=O)NCCN(Cc3ccccc3)c3ccccn3)CC2)c1 ZINC001288600207 1049155521 /nfs/dbraw/zinc/15/55/21/1049155521.db2.gz JGARUEIVGDHCKN-UHFFFAOYSA-N 1 0 396.494 3.808 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@](F)(C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001288636364 1049175254 /nfs/dbraw/zinc/17/52/54/1049175254.db2.gz HANAGPICWZHCPR-JTSKRJEESA-N 1 0 396.514 3.508 20 30 GHEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001307433987 1049270673 /nfs/dbraw/zinc/27/06/73/1049270673.db2.gz OTOYUBUFMXTZTD-NSHDSACASA-N 1 0 375.354 3.518 20 30 GHEDRO C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CC[NH+]2CCCCCC2)C1 ZINC001288977443 1049273377 /nfs/dbraw/zinc/27/33/77/1049273377.db2.gz NKTGILPSFZZBSH-QFIPXVFZSA-N 1 0 384.572 3.942 20 30 GHEDRO C#CC[N@@H+](CCCCCNC(C)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001307476037 1049313839 /nfs/dbraw/zinc/31/38/39/1049313839.db2.gz NLRQODNROXHATN-SFHVURJKSA-N 1 0 393.325 3.514 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H](CC)Cc2ccc(C)cc2)c1 ZINC001307496241 1049336580 /nfs/dbraw/zinc/33/65/80/1049336580.db2.gz LTWXIJBZJKEQGP-NRFANRHFSA-N 1 0 377.488 3.578 20 30 GHEDRO CC(C)[C@H](CC[N@H+](C)CCOc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC001307504980 1049346476 /nfs/dbraw/zinc/34/64/76/1049346476.db2.gz JYQQQLKBZZGUGR-IBGZPJMESA-N 1 0 375.513 3.808 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CC)C2)c1 ZINC001307521851 1049366717 /nfs/dbraw/zinc/36/67/17/1049366717.db2.gz YCDJRGVOWABOGL-KNQAVFIVSA-N 1 0 389.499 3.832 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC001307613997 1049451286 /nfs/dbraw/zinc/45/12/86/1049451286.db2.gz UZEGXRHMZXQNMC-FQEVSTJZSA-N 1 0 399.441 3.971 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c1 ZINC001307893704 1049671860 /nfs/dbraw/zinc/67/18/60/1049671860.db2.gz VDTVAJFXTUHMKO-YPAWHYETSA-N 1 0 375.472 3.881 20 30 GHEDRO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307902085 1049679959 /nfs/dbraw/zinc/67/99/59/1049679959.db2.gz QIYLMGKJNUMIJQ-PMACEKPBSA-N 1 0 397.519 3.640 20 30 GHEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001307937347 1049710080 /nfs/dbraw/zinc/71/00/80/1049710080.db2.gz BJOCYFXMVTXNRE-GOSISDBHSA-N 1 0 396.453 3.512 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@@H](C2CCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307948225 1049716960 /nfs/dbraw/zinc/71/69/60/1049716960.db2.gz ZQEXQHISWARAHE-GOSISDBHSA-N 1 0 378.438 3.685 20 30 GHEDRO CC(C)(C)OC(=O)C1(CC[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CCC1 ZINC001308008593 1049758382 /nfs/dbraw/zinc/75/83/82/1049758382.db2.gz QHGONWZFGNYIEO-UHFFFAOYSA-N 1 0 387.499 3.721 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001308023017 1049774366 /nfs/dbraw/zinc/77/43/66/1049774366.db2.gz UUIGTVRNKIXCRX-MJGOQNOKSA-N 1 0 385.508 3.788 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1 ZINC001308040155 1049790509 /nfs/dbraw/zinc/79/05/09/1049790509.db2.gz TZIUQQYWAKRCDY-HXUWFJFHSA-N 1 0 399.535 3.718 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)c1cccc(OC)c1 ZINC001290519633 1049867464 /nfs/dbraw/zinc/86/74/64/1049867464.db2.gz FITUMKGLOBBJAG-FQEVSTJZSA-N 1 0 387.430 3.658 20 30 GHEDRO Cc1nnc(N(CCC#N)CC2CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001290743471 1049914996 /nfs/dbraw/zinc/91/49/96/1049914996.db2.gz OJRFVKVLTIFNRI-QGZVFWFLSA-N 1 0 380.540 3.846 20 30 GHEDRO Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCC[N@@H+](C)C(C)C ZINC001290823988 1049933616 /nfs/dbraw/zinc/93/36/16/1049933616.db2.gz KJLUECCVNGUWHP-QFIPXVFZSA-N 1 0 394.567 3.648 20 30 GHEDRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC001290883894 1049943437 /nfs/dbraw/zinc/94/34/37/1049943437.db2.gz JJEJPYGPUDODIA-KNQAVFIVSA-N 1 0 397.906 3.781 20 30 GHEDRO C=CC1(CC(=O)NCc2ccc(CN3CC[NH+](CC)CC3)cc2)CCCCC1 ZINC001290920475 1049952664 /nfs/dbraw/zinc/95/26/64/1049952664.db2.gz JOGRIVLISLLSMC-UHFFFAOYSA-N 1 0 383.580 3.967 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(OC(F)F)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC001308365403 1049959671 /nfs/dbraw/zinc/95/96/71/1049959671.db2.gz DOGLSVIWFLRTLG-UHFFFAOYSA-N 1 0 386.377 3.989 20 30 GHEDRO C=CCC1(O)CC[NH+](Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC001308945802 1050207457 /nfs/dbraw/zinc/20/74/57/1050207457.db2.gz GLVRRZWIANGSOP-UHFFFAOYSA-N 1 0 390.325 3.846 20 30 GHEDRO C=CCn1cnn(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1=S ZINC001327779357 1050275387 /nfs/dbraw/zinc/27/53/87/1050275387.db2.gz ZMKSFWOTAOMONB-UHFFFAOYSA-N 1 0 383.565 3.546 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1C#N ZINC001309088984 1050341541 /nfs/dbraw/zinc/34/15/41/1050341541.db2.gz YNTYSOAHKZFACP-RXVVDRJESA-N 1 0 397.544 3.713 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cccc2c1CCCC2)C(C)C ZINC001309406104 1050688048 /nfs/dbraw/zinc/68/80/48/1050688048.db2.gz QREKENNTTLBNKZ-FQEVSTJZSA-N 1 0 376.566 3.542 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc([C@@H]2CCN(c3ccc(C#N)cc3F)C2)o1 ZINC001329222430 1050749172 /nfs/dbraw/zinc/74/91/72/1050749172.db2.gz LHTLMCGLLORLQB-SJLPKXTDSA-N 1 0 397.498 3.910 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc([C@@H]2CCN(c3ccc(C#N)cc3F)C2)o1 ZINC001329222427 1050749282 /nfs/dbraw/zinc/74/92/82/1050749282.db2.gz LHTLMCGLLORLQB-FUHWJXTLSA-N 1 0 397.498 3.910 20 30 GHEDRO Cc1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)ccc1N1CC[NH+](C)CC1 ZINC001329734416 1050896859 /nfs/dbraw/zinc/89/68/59/1050896859.db2.gz GAOUFTCEBNSZMG-UHFFFAOYSA-N 1 0 376.504 3.535 20 30 GHEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1cccc(C#N)c1C ZINC001310419449 1051343988 /nfs/dbraw/zinc/34/39/88/1051343988.db2.gz RXXUVLOWQQXOGS-IFMALSPDSA-N 1 0 392.503 3.525 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)NCC#C[C@H]3CCCCO3)c2)CC1 ZINC001310446386 1051363210 /nfs/dbraw/zinc/36/32/10/1051363210.db2.gz QNKICSCJOGPWIX-JOCHJYFZSA-N 1 0 383.536 3.655 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC001332824119 1051579143 /nfs/dbraw/zinc/57/91/43/1051579143.db2.gz USEHRSFQNYKWBT-FQEVSTJZSA-N 1 0 376.504 3.677 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001333300768 1051713256 /nfs/dbraw/zinc/71/32/56/1051713256.db2.gz WPZPUHIQJBDLSP-UHFFFAOYSA-N 1 0 382.508 3.690 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@H]3CCC[C@@H](C2)C3O)c1C#N ZINC001334359733 1051934184 /nfs/dbraw/zinc/93/41/84/1051934184.db2.gz UNURJMWZWRQGPK-VSOVRNOCSA-N 1 0 398.551 3.513 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)C[C@H]2C1 ZINC001336170976 1052235701 /nfs/dbraw/zinc/23/57/01/1052235701.db2.gz MLZKTMMGLVCBIH-DFQSSKMNSA-N 1 0 393.487 3.533 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC001312218148 1052642972 /nfs/dbraw/zinc/64/29/72/1052642972.db2.gz DYVLGDYHQISOIX-FKKSXTGDSA-N 1 0 393.506 3.956 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001312250323 1052660592 /nfs/dbraw/zinc/66/05/92/1052660592.db2.gz CHBZAUBJGMUMMK-UTKZUKDTSA-N 1 0 376.504 3.756 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC001312674832 1052833561 /nfs/dbraw/zinc/83/35/61/1052833561.db2.gz JELYTAYSVFYLMJ-AVRDEDQJSA-N 1 0 379.504 3.714 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@H](C)C[N@@H+](C)CCCC)c1ccc(Br)cc1 ZINC001312796596 1052873477 /nfs/dbraw/zinc/87/34/77/1052873477.db2.gz HAYOYNUOEJZERB-RHSMWYFYSA-N 1 0 380.330 3.543 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001312893224 1052904482 /nfs/dbraw/zinc/90/44/82/1052904482.db2.gz AZXAETYNMVBMTF-CEXWTWQISA-N 1 0 394.544 3.720 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC001312939395 1052916525 /nfs/dbraw/zinc/91/65/25/1052916525.db2.gz GMGGUJWTRKSNPG-GIVPXCGWSA-N 1 0 381.907 3.659 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC001313375758 1053036314 /nfs/dbraw/zinc/03/63/14/1053036314.db2.gz PGLPCELGTVVYSU-GQLBNEHISA-N 1 0 380.536 3.875 20 30 GHEDRO CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001342551981 1053234952 /nfs/dbraw/zinc/23/49/52/1053234952.db2.gz VUOQRFVCFKRFOJ-ZGOJQLDESA-N 1 0 397.910 3.862 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313902144 1053280057 /nfs/dbraw/zinc/28/00/57/1053280057.db2.gz JXEOIRKQBRPJCW-UGKGYDQZSA-N 1 0 378.524 3.559 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001342664582 1053288000 /nfs/dbraw/zinc/28/80/00/1053288000.db2.gz LURDROMCVSNWCX-OALUTQOASA-N 1 0 397.567 3.743 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(C)C)C[C@H]1C ZINC001313935896 1053291306 /nfs/dbraw/zinc/29/13/06/1053291306.db2.gz KSLXKSDYHJDSRF-GOSISDBHSA-N 1 0 380.540 3.783 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001314925752 1053675933 /nfs/dbraw/zinc/67/59/33/1053675933.db2.gz ALYVCTLCFWMXRR-XMSQKQJNSA-N 1 0 396.514 3.507 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C[C@@H]2C1 ZINC001343514958 1053832532 /nfs/dbraw/zinc/83/25/32/1053832532.db2.gz NBZCWCDKZRZZHC-SLFFLAALSA-N 1 0 390.487 3.548 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001343568190 1053891823 /nfs/dbraw/zinc/89/18/23/1053891823.db2.gz HLFQBEGCVQJIRB-KRWDZBQOSA-N 1 0 381.515 3.610 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343583629 1053906446 /nfs/dbraw/zinc/90/64/46/1053906446.db2.gz RFZHIXZQSQEUFI-OALUTQOASA-N 1 0 389.588 3.836 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001343966773 1054148519 /nfs/dbraw/zinc/14/85/19/1054148519.db2.gz PUGILJBEQPTNID-DAYGRLMNSA-N 1 0 398.382 3.684 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001318622112 1054755721 /nfs/dbraw/zinc/75/57/21/1054755721.db2.gz WDTNKTGRMSPSED-UHFFFAOYSA-N 1 0 379.445 3.792 20 30 GHEDRO C[C@H]1CCN(C(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001318879658 1054929988 /nfs/dbraw/zinc/92/99/88/1054929988.db2.gz SRMUZDMCSDWSOS-SFHVURJKSA-N 1 0 378.476 3.717 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC001345607699 1055150353 /nfs/dbraw/zinc/15/03/53/1055150353.db2.gz ZWUUVYBIQSHQRK-NRFANRHFSA-N 1 0 396.922 3.967 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[NH+](C(C)(C)C)CC2)c1=S ZINC001319752580 1055444385 /nfs/dbraw/zinc/44/43/85/1055444385.db2.gz UFQJMENULDWGHP-UHFFFAOYSA-N 1 0 377.583 3.702 20 30 GHEDRO CCN(C(=O)Nc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001320359295 1055771196 /nfs/dbraw/zinc/77/11/96/1055771196.db2.gz VQGQNQAAQXBZAV-FQEVSTJZSA-N 1 0 378.476 3.717 20 30 GHEDRO N#CCCN(C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(F)cc1 ZINC001320375828 1055777253 /nfs/dbraw/zinc/77/72/53/1055777253.db2.gz HHJUHNKNJJRJNO-UHFFFAOYSA-N 1 0 395.478 3.590 20 30 GHEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001320719190 1055939275 /nfs/dbraw/zinc/93/92/75/1055939275.db2.gz RPXPOLPQAKBRIX-MNEFBYGVSA-N 1 0 375.472 3.511 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 ZINC001320855190 1055988626 /nfs/dbraw/zinc/98/86/26/1055988626.db2.gz TYWCRWMXOYWKLL-UHFFFAOYSA-N 1 0 386.540 3.633 20 30 GHEDRO CC(C)c1ccccc1N=C1SCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001354023682 1056257506 /nfs/dbraw/zinc/25/75/06/1056257506.db2.gz TZOSJNPKOZHWDQ-UHFFFAOYSA-N 1 0 389.565 3.874 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCC[NH+]1CCCC1 ZINC001300605894 1056617667 /nfs/dbraw/zinc/61/76/67/1056617667.db2.gz BNFGAHYJAJVECR-UHFFFAOYSA-N 1 0 377.492 3.637 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300613949 1056661495 /nfs/dbraw/zinc/66/14/95/1056661495.db2.gz VSGGZUDCLDKLKK-IBGZPJMESA-N 1 0 379.533 3.769 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=S)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC001200674695 1056692501 /nfs/dbraw/zinc/69/25/01/1056692501.db2.gz OWJNIYYXYSSRSD-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=S)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC001200700640 1056763175 /nfs/dbraw/zinc/76/31/75/1056763175.db2.gz JYPJCZCLCLFFAS-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001300648450 1056767521 /nfs/dbraw/zinc/76/75/21/1056767521.db2.gz ORXUAHPVEMUJKJ-QGZVFWFLSA-N 1 0 383.515 3.665 20 30 GHEDRO C=C[C@@H](COC)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC001324021167 1057056388 /nfs/dbraw/zinc/05/63/88/1057056388.db2.gz GUDGSIBTYZGNRB-JTQLQIEISA-N 1 0 379.092 3.511 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000848530295 1057152151 /nfs/dbraw/zinc/15/21/51/1057152151.db2.gz YNDKWQYQNWJIHX-UHFFFAOYSA-N 1 0 377.532 3.986 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC001324830247 1057233892 /nfs/dbraw/zinc/23/38/92/1057233892.db2.gz YAXIIYHEXHLNSW-UHFFFAOYSA-N 1 0 381.495 3.745 20 30 GHEDRO C[C@]1(CNC(=O)Nc2ccc(OCC#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001325140794 1057279735 /nfs/dbraw/zinc/27/97/35/1057279735.db2.gz VUQSOGWIVGKPQH-JOCHJYFZSA-N 1 0 378.476 3.623 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001356040223 1057366270 /nfs/dbraw/zinc/36/62/70/1057366270.db2.gz CXFJPSZWCLFIKN-WOJBJXKFSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCn1c(C2CCN(CCC#N)CC2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001356082363 1057381855 /nfs/dbraw/zinc/38/18/55/1057381855.db2.gz CRPUZVJBURJLNV-NRFANRHFSA-N 1 0 390.535 3.899 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@@]1(C)CCC=CO1 ZINC001356239206 1057443613 /nfs/dbraw/zinc/44/36/13/1057443613.db2.gz POKKFVFGKXOOJP-JOCHJYFZSA-N 1 0 387.572 3.950 20 30 GHEDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001326571896 1057514015 /nfs/dbraw/zinc/51/40/15/1057514015.db2.gz LGOFXRDRUGXXLE-VQTJNVASSA-N 1 0 394.471 3.577 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001326571899 1057514517 /nfs/dbraw/zinc/51/45/17/1057514517.db2.gz LGOFXRDRUGXXLE-WOJBJXKFSA-N 1 0 394.471 3.577 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC001337728881 1058239099 /nfs/dbraw/zinc/23/90/99/1058239099.db2.gz YQOQQFJILOYEQN-SFHVURJKSA-N 1 0 376.298 3.720 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001337971499 1058349710 /nfs/dbraw/zinc/34/97/10/1058349710.db2.gz ZUKHWRHKBKNPBZ-FHWLQOOXSA-N 1 0 385.581 3.673 20 30 GHEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC001338111223 1058410530 /nfs/dbraw/zinc/41/05/30/1058410530.db2.gz BDRLXLXJTQUFKP-AEFFLSMTSA-N 1 0 380.554 3.539 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c3ccncc23)cc(C)c1C#N ZINC001440138918 1058436457 /nfs/dbraw/zinc/43/64/57/1058436457.db2.gz AOPLZXSIMPCNAP-UHFFFAOYSA-N 1 0 399.498 3.727 20 30 GHEDRO CCCCCC[C@H](O)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440736818 1058602515 /nfs/dbraw/zinc/60/25/15/1058602515.db2.gz FNNSGFXYYQYYLE-QFIPXVFZSA-N 1 0 385.552 3.704 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001338574195 1058649340 /nfs/dbraw/zinc/64/93/40/1058649340.db2.gz KUXBOUVTDIEGGZ-UHFFFAOYSA-N 1 0 394.519 3.715 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001338779477 1058779838 /nfs/dbraw/zinc/77/98/38/1058779838.db2.gz UCTKBDSQURCEQQ-OAHLLOKOSA-N 1 0 381.615 3.501 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001339022911 1058927383 /nfs/dbraw/zinc/92/73/83/1058927383.db2.gz JLZFEVXPLBASGC-MHTWAQMVSA-N 1 0 377.536 3.513 20 30 GHEDRO C=CCn1c(-c2scnc2CC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339261478 1059049962 /nfs/dbraw/zinc/04/99/62/1059049962.db2.gz ASHIMUOUXJKPKO-UHFFFAOYSA-N 1 0 386.569 3.605 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(Br)cc1C#N)C(C)C ZINC001443430099 1059130073 /nfs/dbraw/zinc/13/00/73/1059130073.db2.gz SLMDWLKCBOZBJY-GOSISDBHSA-N 1 0 390.325 3.749 20 30 GHEDRO CCn1c(Cc2cccc(C#N)c2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001339366417 1059146587 /nfs/dbraw/zinc/14/65/87/1059146587.db2.gz BRHSLXWGOABPKK-UHFFFAOYSA-N 1 0 392.551 3.605 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339799148 1059482655 /nfs/dbraw/zinc/48/26/55/1059482655.db2.gz WCDLAVFFKYKTTQ-RTBURBONSA-N 1 0 389.588 3.692 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001339810415 1059491758 /nfs/dbraw/zinc/49/17/58/1059491758.db2.gz LRXVAXLGGRANMQ-IBGZPJMESA-N 1 0 378.524 3.584 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001339898871 1059544239 /nfs/dbraw/zinc/54/42/39/1059544239.db2.gz MQAYRIXDOHOAGD-UHFFFAOYSA-N 1 0 398.555 3.766 20 30 GHEDRO CCn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001340186749 1059749557 /nfs/dbraw/zinc/74/95/57/1059749557.db2.gz WPLWAFOHHWQEBQ-QHCPKHFHSA-N 1 0 392.551 3.592 20 30 GHEDRO CCc1ccc(C#CC(=O)N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc1 ZINC001446353411 1059764458 /nfs/dbraw/zinc/76/44/58/1059764458.db2.gz NUGZULZIGBTTIX-HSZRJFAPSA-N 1 0 376.500 3.562 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001340584600 1059985954 /nfs/dbraw/zinc/98/59/54/1059985954.db2.gz WXVDJRSZLGSGCL-UXHICEINSA-N 1 0 384.572 3.676 20 30 GHEDRO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001340641608 1060013245 /nfs/dbraw/zinc/01/32/45/1060013245.db2.gz OXKMJNXPMAEKKL-NVXWUHKLSA-N 1 0 379.499 3.678 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(CC)(CC)C1 ZINC001340776667 1060116732 /nfs/dbraw/zinc/11/67/32/1060116732.db2.gz DVJXWABDYWUWHK-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H](C/C=C\C)C1 ZINC001340778673 1060118706 /nfs/dbraw/zinc/11/87/06/1060118706.db2.gz VQVWNLHPZRVTRY-CMRHPGMDSA-N 1 0 399.583 3.963 20 30 GHEDRO C=CC1(CC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC001449295291 1060374226 /nfs/dbraw/zinc/37/42/26/1060374226.db2.gz YDQPESNJJAUNHN-QHCPKHFHSA-N 1 0 395.591 3.932 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC001450081787 1060527876 /nfs/dbraw/zinc/52/78/76/1060527876.db2.gz PSLSTDPZDSACKK-VQTJNVASSA-N 1 0 386.417 3.774 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001341868149 1060930234 /nfs/dbraw/zinc/93/02/34/1060930234.db2.gz IKWXEMAGFIIYSK-HXUWFJFHSA-N 1 0 395.551 3.666 20 30 GHEDRO CC[N@H+](Cc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1)C(C)C ZINC001341932093 1060956559 /nfs/dbraw/zinc/95/65/59/1060956559.db2.gz YZVVUNFLLNUNPM-LJQANCHMSA-N 1 0 387.487 3.932 20 30 GHEDRO C=C[C@H](O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC(=C)C ZINC001341977495 1060979375 /nfs/dbraw/zinc/97/93/75/1060979375.db2.gz IGSZOROMEJMUNG-TYPHKJRUSA-N 1 0 395.551 3.563 20 30 GHEDRO C=C[C@H](O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC(=C)C ZINC001341977494 1060979715 /nfs/dbraw/zinc/97/97/15/1060979715.db2.gz IGSZOROMEJMUNG-NRSPTQNISA-N 1 0 395.551 3.563 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3cc(C#N)ccc3F)cc2)C[C@H](C)O1 ZINC001452691061 1060986954 /nfs/dbraw/zinc/98/69/54/1060986954.db2.gz MASNLOHHJQDAKO-CALCHBBNSA-N 1 0 395.478 3.579 20 30 GHEDRO C=C(C)Cn1c(Cc2cccc(C#N)c2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342005297 1060992179 /nfs/dbraw/zinc/99/21/79/1060992179.db2.gz JRHWOSMEAOUNFJ-UHFFFAOYSA-N 1 0 392.551 3.627 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342173478 1061105249 /nfs/dbraw/zinc/10/52/49/1061105249.db2.gz TVCZWINZDIPIEJ-IEBWSBKVSA-N 1 0 396.539 3.579 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCCCC3)CC2)nnc1C(C)(C)CC#N ZINC001342240581 1061166906 /nfs/dbraw/zinc/16/69/06/1061166906.db2.gz AYXYAOTXVRSDHK-UHFFFAOYSA-N 1 0 384.572 3.890 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(c2nnc(CCCCC#N)n2Cc2cccs2)CC1 ZINC001345985022 1061263674 /nfs/dbraw/zinc/26/36/74/1061263674.db2.gz YXPXKYLOENHGCZ-QGZVFWFLSA-N 1 0 386.569 3.545 20 30 GHEDRO C=C(C)Cn1c(CCCCC#N)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001346228485 1061463685 /nfs/dbraw/zinc/46/36/85/1061463685.db2.gz JKBBUOTZTREFOM-AZUAARDMSA-N 1 0 382.556 3.544 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1c(C)cc(C#N)cc1C ZINC001361178726 1061691741 /nfs/dbraw/zinc/69/17/41/1061691741.db2.gz JUYGUHDHMJBYKS-UHFFFAOYSA-N 1 0 383.458 3.840 20 30 GHEDRO C=CCNc1ncc(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)s1 ZINC001454410612 1061769321 /nfs/dbraw/zinc/76/93/21/1061769321.db2.gz ZMUMTUICGFKSBI-SZPZYZBQSA-N 1 0 396.560 3.725 20 30 GHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC001435309775 1062495913 /nfs/dbraw/zinc/49/59/13/1062495913.db2.gz OSDXOVVJLGPLJR-QFIPXVFZSA-N 1 0 376.504 3.533 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001435565927 1062739390 /nfs/dbraw/zinc/73/93/90/1062739390.db2.gz KLEDKKYBALHUEU-VAMGGRTRSA-N 1 0 375.516 3.858 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[C@](F)(C#N)C1 ZINC001435903917 1062990557 /nfs/dbraw/zinc/99/05/57/1062990557.db2.gz ACLWIXCBTVYIFD-JRFVFWCSSA-N 1 0 391.490 3.540 20 30 GHEDRO C=CCCCCCN(C)c1nnc([C@@H]2CCC[N@H+](C)C2)n1Cc1cc(C)on1 ZINC001348374018 1063032600 /nfs/dbraw/zinc/03/26/00/1063032600.db2.gz LKTONGIRYFYBRO-GOSISDBHSA-N 1 0 386.544 3.615 20 30 GHEDRO C#CCOCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C ZINC001457614748 1063279781 /nfs/dbraw/zinc/27/97/81/1063279781.db2.gz WPQZZDGTHVSHKC-IBGZPJMESA-N 1 0 399.362 3.948 20 30 GHEDRO CCc1ccc([C@@H](C#N)N(C)C(=O)CCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001436559908 1063530813 /nfs/dbraw/zinc/53/08/13/1063530813.db2.gz PQHCYZBCKLSHAS-HSZRJFAPSA-N 1 0 393.531 3.845 20 30 GHEDRO C[N@@H+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H]1Cc1ccccc1 ZINC001458366522 1063765673 /nfs/dbraw/zinc/76/56/73/1063765673.db2.gz HLRBWGSCLJMSFS-MRXNPFEDSA-N 1 0 396.416 3.887 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CCC)[C@@H]2CCc3ccccc32)c1 ZINC001459371061 1064078939 /nfs/dbraw/zinc/07/89/39/1064078939.db2.gz PKLUGORJWDTUKZ-OAQYLSRUSA-N 1 0 375.472 3.716 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CCC)[C@H]2CCc3ccccc32)c1 ZINC001459371058 1064079549 /nfs/dbraw/zinc/07/95/49/1064079549.db2.gz PKLUGORJWDTUKZ-NRFANRHFSA-N 1 0 375.472 3.716 20 30 GHEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001459600648 1064138888 /nfs/dbraw/zinc/13/88/88/1064138888.db2.gz BPKMIGLOUHPUME-JLSDUUJJSA-N 1 0 389.565 3.699 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001459815332 1064229280 /nfs/dbraw/zinc/22/92/80/1064229280.db2.gz QZWJOZHGNPUOAB-GOSISDBHSA-N 1 0 390.458 3.695 20 30 GHEDRO CC(C)(C)[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 ZINC001459817628 1064230611 /nfs/dbraw/zinc/23/06/11/1064230611.db2.gz MXAIHGMXRNPALR-HXUWFJFHSA-N 1 0 378.447 3.802 20 30 GHEDRO C=C(C)[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O)c1ccc(F)c(F)c1 ZINC001459978880 1064316421 /nfs/dbraw/zinc/31/64/21/1064316421.db2.gz GHCQWUYGMWYZPS-LQWHRVPQSA-N 1 0 396.478 3.932 20 30 GHEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459987778 1064323704 /nfs/dbraw/zinc/32/37/04/1064323704.db2.gz IYRBDYHJEXRRKV-YJBOKZPZSA-N 1 0 380.454 3.978 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)C(C)C ZINC001463522234 1064431983 /nfs/dbraw/zinc/43/19/83/1064431983.db2.gz AEIYDADWFVGFJA-NRFANRHFSA-N 1 0 376.566 3.542 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001351594866 1064525824 /nfs/dbraw/zinc/52/58/24/1064525824.db2.gz HQTCRAQTBXUUFN-UHFFFAOYSA-N 1 0 384.572 3.649 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC001463782222 1064614285 /nfs/dbraw/zinc/61/42/85/1064614285.db2.gz BPLGUTAGISBJPT-UHFFFAOYSA-N 1 0 391.562 3.626 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)cc1 ZINC001463923477 1064721941 /nfs/dbraw/zinc/72/19/41/1064721941.db2.gz QWWPYRLRHPSZDX-UHFFFAOYSA-N 1 0 377.448 3.851 20 30 GHEDRO CCc1ccc(C#CC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC001464328362 1064956898 /nfs/dbraw/zinc/95/68/98/1064956898.db2.gz DBRCAIQCZSNGIO-HSZRJFAPSA-N 1 0 390.527 3.953 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)CC(C)C ZINC001464868347 1065252726 /nfs/dbraw/zinc/25/27/26/1065252726.db2.gz LQPIZYBBWIBFAN-SFHVURJKSA-N 1 0 394.357 3.736 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)c1CC ZINC001464906036 1065267629 /nfs/dbraw/zinc/26/76/29/1065267629.db2.gz HHBKVYRFHULDPP-UHFFFAOYSA-N 1 0 391.313 3.848 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CC[NH+](C(C)C)C(C)C ZINC001492557658 1065668181 /nfs/dbraw/zinc/66/81/81/1065668181.db2.gz RYYAIOVXEDXSQC-GOSISDBHSA-N 1 0 382.556 3.968 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCC[NH+]1CCCC1 ZINC001300282293 1065918920 /nfs/dbraw/zinc/91/89/20/1065918920.db2.gz NXSUTSYABXHEQM-LJQANCHMSA-N 1 0 390.535 3.541 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300293169 1065940863 /nfs/dbraw/zinc/94/08/63/1065940863.db2.gz OREITICWSAWMPM-QUCCMNQESA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001300312414 1065970731 /nfs/dbraw/zinc/97/07/31/1065970731.db2.gz ZRMJIAISWTWVOF-RTBURBONSA-N 1 0 383.540 3.755 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001353547623 1066023885 /nfs/dbraw/zinc/02/38/85/1066023885.db2.gz SHHIQNKKXTYKCJ-QGZVFWFLSA-N 1 0 377.488 3.871 20 30 GHEDRO N#CC1(COC(=O)[C@H]2Cc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847747949 1066032468 /nfs/dbraw/zinc/03/24/68/1066032468.db2.gz UJEPYMADKPNLRS-NRFANRHFSA-N 1 0 378.447 3.815 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2COc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847749527 1066036641 /nfs/dbraw/zinc/03/66/41/1066036641.db2.gz SOIKSSILEDBYIF-HXUWFJFHSA-N 1 0 376.456 3.512 20 30 GHEDRO N#CC1(COC(=O)CCOCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847749041 1066038163 /nfs/dbraw/zinc/03/81/63/1066038163.db2.gz MNDSXOGWKOYOOX-UHFFFAOYSA-N 1 0 392.499 3.942 20 30 GHEDRO Cc1ncc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C(C)C)n1 ZINC000847749731 1066042771 /nfs/dbraw/zinc/04/27/71/1066042771.db2.gz ZSRBVYDWGAIQMJ-UHFFFAOYSA-N 1 0 392.503 3.871 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1F ZINC001466353927 1066109285 /nfs/dbraw/zinc/10/92/85/1066109285.db2.gz BPSBZIQSGPAGDE-XWFZLUIHSA-N 1 0 395.453 3.867 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cc(CC#N)ccn2)C1 ZINC001467112273 1067075483 /nfs/dbraw/zinc/07/54/83/1067075483.db2.gz GSFQRXGQSDRQDP-KRWDZBQOSA-N 1 0 377.492 3.701 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2C#N)C1 ZINC001357630176 1067204730 /nfs/dbraw/zinc/20/47/30/1067204730.db2.gz GSMJRAMVTIJOSA-KDOFPFPSSA-N 1 0 398.304 3.886 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001357973438 1067351386 /nfs/dbraw/zinc/35/13/86/1067351386.db2.gz QBQADGZMZWZVMB-OAQYLSRUSA-N 1 0 394.567 3.534 20 30 GHEDRO C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001468007114 1067562304 /nfs/dbraw/zinc/56/23/04/1067562304.db2.gz OPYVAMIUFIZYKJ-KRWDZBQOSA-N 1 0 392.341 3.687 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CC1CC[NH+](C2CC2)CC1 ZINC001358883311 1067594645 /nfs/dbraw/zinc/59/46/45/1067594645.db2.gz SECQUYLXAFIZNT-SFHVURJKSA-N 1 0 377.536 3.586 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001358894275 1067601413 /nfs/dbraw/zinc/60/14/13/1067601413.db2.gz LSDVBFLUEHOZJF-UWJYYQICSA-N 1 0 379.552 3.554 20 30 GHEDRO C#CCCCn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001358926663 1067616202 /nfs/dbraw/zinc/61/62/02/1067616202.db2.gz XEPCVUXZEANEFP-UHFFFAOYSA-N 1 0 396.583 3.645 20 30 GHEDRO C#CCCCn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001358930750 1067618021 /nfs/dbraw/zinc/61/80/21/1067618021.db2.gz CPYOEYOVSZUHOE-UHFFFAOYSA-N 1 0 399.608 3.706 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CC[NH+](C(C)C)C(C)C ZINC001358942100 1067622653 /nfs/dbraw/zinc/62/26/53/1067622653.db2.gz JETOGXWKBDTMNM-UHFFFAOYSA-N 1 0 379.508 3.880 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[N@H+]1CC ZINC001358942387 1067623317 /nfs/dbraw/zinc/62/33/17/1067623317.db2.gz SUVMCHSZBMXURA-HXUWFJFHSA-N 1 0 379.552 3.796 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001358944999 1067625444 /nfs/dbraw/zinc/62/54/44/1067625444.db2.gz QFUIQUBAGKAKIP-SFHVURJKSA-N 1 0 383.515 3.808 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1 ZINC001358973067 1067631657 /nfs/dbraw/zinc/63/16/57/1067631657.db2.gz DOFITBPTPDXPKQ-UHFFFAOYSA-N 1 0 395.938 3.547 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001358993991 1067639522 /nfs/dbraw/zinc/63/95/22/1067639522.db2.gz BGESVMYFCCCVAH-FQEVSTJZSA-N 1 0 397.611 3.840 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC[N@@H+](C)[C@H](C)CC ZINC001359068304 1067668864 /nfs/dbraw/zinc/66/88/64/1067668864.db2.gz VZXAUXSUWGFPFT-WZONZLPQSA-N 1 0 395.551 3.676 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359112553 1067690989 /nfs/dbraw/zinc/69/09/89/1067690989.db2.gz MRQPNIDPZLMOQK-UXHICEINSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001359112474 1067691188 /nfs/dbraw/zinc/69/11/88/1067691188.db2.gz KQZOFLLCUUYKLV-VQTJNVASSA-N 1 0 389.588 3.839 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001359176845 1067735699 /nfs/dbraw/zinc/73/56/99/1067735699.db2.gz PSMSNOJXVRFTGG-UHFFFAOYSA-N 1 0 394.567 3.865 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001359187400 1067752764 /nfs/dbraw/zinc/75/27/64/1067752764.db2.gz MCZGCNDOKGTMSI-SFHVURJKSA-N 1 0 382.556 3.781 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)c2ccc(Br)cc2)CC1 ZINC001468639898 1067801041 /nfs/dbraw/zinc/80/10/41/1067801041.db2.gz NDBNMBBDJIGTOD-OAHLLOKOSA-N 1 0 394.357 3.892 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359234895 1067838558 /nfs/dbraw/zinc/83/85/58/1067838558.db2.gz FLKDEVIVJYIBKS-AWEZNQCLSA-N 1 0 389.931 3.712 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359235402 1067839902 /nfs/dbraw/zinc/83/99/02/1067839902.db2.gz YJNUAKSIOKPBMJ-INIZCTEOSA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359235749 1067840274 /nfs/dbraw/zinc/84/02/74/1067840274.db2.gz MDAMWISTIWTQQY-ROUUACIJSA-N 1 0 383.540 3.696 20 30 GHEDRO C=CCN(c1nnc(CC)n1CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001359251733 1067902571 /nfs/dbraw/zinc/90/25/71/1067902571.db2.gz UHTRZYZZUINLHD-UHFFFAOYSA-N 1 0 379.552 3.908 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001359265026 1067927994 /nfs/dbraw/zinc/92/79/94/1067927994.db2.gz WGYRCRUFNCGMQV-GOSISDBHSA-N 1 0 385.581 3.969 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(CC)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C ZINC001359265760 1067929015 /nfs/dbraw/zinc/92/90/15/1067929015.db2.gz LQMWQVQHTHQPHL-RBUKOAKNSA-N 1 0 389.588 3.543 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359274177 1067942965 /nfs/dbraw/zinc/94/29/65/1067942965.db2.gz DVWSPFOILQZQKF-VQTJNVASSA-N 1 0 387.572 3.676 20 30 GHEDRO C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359289383 1067984746 /nfs/dbraw/zinc/98/47/46/1067984746.db2.gz AQZKZKOAKMPYKP-UHFFFAOYSA-N 1 0 397.567 3.871 20 30 GHEDRO C[C@H](C#N)CN(C)C(=O)NCc1ccccc1OCCC[N@H+](C)C1CCCC1 ZINC001469124813 1067987643 /nfs/dbraw/zinc/98/76/43/1067987643.db2.gz OLZDELWUFOIEFZ-GOSISDBHSA-N 1 0 386.540 3.631 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001359311578 1068026510 /nfs/dbraw/zinc/02/65/10/1068026510.db2.gz DFYCUKFTOMSUSH-LEWJYISDSA-N 1 0 397.567 3.794 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359475491 1068070554 /nfs/dbraw/zinc/07/05/54/1068070554.db2.gz LSDOVNMJZMBIBX-OALUTQOASA-N 1 0 386.588 3.871 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H]1C(C)(C)C ZINC001469619792 1068263983 /nfs/dbraw/zinc/26/39/83/1068263983.db2.gz WOGPETMMULEBAN-JOCHJYFZSA-N 1 0 391.515 3.940 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769147941 1068328058 /nfs/dbraw/zinc/32/80/58/1068328058.db2.gz JDZKUINFEHSVPO-FQEVSTJZSA-N 1 0 386.540 3.916 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769147943 1068328163 /nfs/dbraw/zinc/32/81/63/1068328163.db2.gz JDZKUINFEHSVPO-HXUWFJFHSA-N 1 0 386.540 3.916 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC001469894743 1068454700 /nfs/dbraw/zinc/45/47/00/1068454700.db2.gz IJBCDFZWRUYQOB-QFIPXVFZSA-N 1 0 378.516 3.569 20 30 GHEDRO C=CCOc1ccc(CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC001360354666 1068462711 /nfs/dbraw/zinc/46/27/11/1068462711.db2.gz AMQHXMHOZPHHDN-UHFFFAOYSA-N 1 0 388.577 3.662 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001360465212 1068517215 /nfs/dbraw/zinc/51/72/15/1068517215.db2.gz OQPJPGRJLNCATN-HXUWFJFHSA-N 1 0 378.516 3.917 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)CCCC1 ZINC001460456834 1068970563 /nfs/dbraw/zinc/97/05/63/1068970563.db2.gz VHJFFUGJOKSCDH-UHFFFAOYSA-N 1 0 383.580 3.933 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC001460469260 1068972090 /nfs/dbraw/zinc/97/20/90/1068972090.db2.gz DZSPTWSDCBSNFL-PSCUFVCCSA-N 1 0 386.515 3.719 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)CCC1 ZINC001460569845 1069001051 /nfs/dbraw/zinc/00/10/51/1069001051.db2.gz ONFRBFZTFHTCTN-DHIUTWEWSA-N 1 0 390.527 3.832 20 30 GHEDRO CCc1ccc([C@@H](C#N)N(C)C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001460600813 1069018190 /nfs/dbraw/zinc/01/81/90/1069018190.db2.gz SMZDYUWEKIZXSZ-WIJYMUHASA-N 1 0 391.515 3.926 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H]2CSC[C@H]2C1 ZINC001460655699 1069061139 /nfs/dbraw/zinc/06/11/39/1069061139.db2.gz RLTAQHSUAMLTGE-RBSFLKMASA-N 1 0 389.590 3.901 20 30 GHEDRO COc1cc2c(cc1OC)[C@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC001460727616 1069131021 /nfs/dbraw/zinc/13/10/21/1069131021.db2.gz SXZJYNJEEHKOFH-HNNXBMFYSA-N 1 0 379.460 3.523 20 30 GHEDRO C#CC[N@H+](Cc1cccnc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460778899 1069172688 /nfs/dbraw/zinc/17/26/88/1069172688.db2.gz RXNXNCPLBNYVHD-UHFFFAOYSA-N 1 0 397.441 3.935 20 30 GHEDRO C#CCC1([NH2+]C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CCCCC1 ZINC001460827186 1069204756 /nfs/dbraw/zinc/20/47/56/1069204756.db2.gz FYFHAXXMMYMUFH-NQIIRXRSSA-N 1 0 376.541 3.718 20 30 GHEDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C ZINC001460833301 1069208128 /nfs/dbraw/zinc/20/81/28/1069208128.db2.gz FXOAZJSJPZMJLZ-YOEHRIQHSA-N 1 0 391.537 3.587 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H]2CC=CC[C@H]2C)c1C#N ZINC001460930699 1069281479 /nfs/dbraw/zinc/28/14/79/1069281479.db2.gz OYNRIJGBTCLNOV-JLTOFOAXSA-N 1 0 380.467 3.988 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001470879173 1072786700 /nfs/dbraw/zinc/78/67/00/1072786700.db2.gz LRUXBLUPYUSCIY-OAQYLSRUSA-N 1 0 379.504 3.667 20 30 GHEDRO C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1)c1ccc(Cl)cc1F ZINC001478900267 1079020862 /nfs/dbraw/zinc/02/08/62/1079020862.db2.gz LCFZFZNLYMYSHU-IBGZPJMESA-N 1 0 391.874 3.828 20 30 GHEDRO CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[NH+](CC)CC)cc1 ZINC001546191540 1073401286 /nfs/dbraw/zinc/40/12/86/1073401286.db2.gz YRUVZWDWIRERJG-QFIPXVFZSA-N 1 0 398.530 3.681 20 30 GHEDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(N)c1C#N ZINC001472700878 1073626511 /nfs/dbraw/zinc/62/65/11/1073626511.db2.gz XGFCVLRLGLGEGP-UHFFFAOYSA-N 1 0 391.431 3.886 20 30 GHEDRO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473197101 1073849259 /nfs/dbraw/zinc/84/92/59/1073849259.db2.gz RMFBYOZITNJMHT-GOTSBHOMSA-N 1 0 391.515 3.573 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC001473309958 1073916089 /nfs/dbraw/zinc/91/60/89/1073916089.db2.gz DWIMDJMPDXYNJS-UHFFFAOYSA-N 1 0 397.425 3.653 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC001473361569 1073934858 /nfs/dbraw/zinc/93/48/58/1073934858.db2.gz NMPJQRUWYKVXOO-INIZCTEOSA-N 1 0 375.472 3.546 20 30 GHEDRO CCCCCCCC[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001473400068 1073949868 /nfs/dbraw/zinc/94/98/68/1073949868.db2.gz JECJLXFSSGTJHZ-LJQANCHMSA-N 1 0 395.588 3.891 20 30 GHEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001473417103 1073955675 /nfs/dbraw/zinc/95/56/75/1073955675.db2.gz VGEOEXCPMBCECU-QFIPXVFZSA-N 1 0 386.495 3.979 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473451137 1073968915 /nfs/dbraw/zinc/96/89/15/1073968915.db2.gz DSXWZYGOMSUCNB-GLJUWKHASA-N 1 0 388.468 3.590 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC001473522700 1073999868 /nfs/dbraw/zinc/99/98/68/1073999868.db2.gz FUZRQZVYXGUZPB-LJQANCHMSA-N 1 0 393.462 3.798 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC001473587376 1074033092 /nfs/dbraw/zinc/03/30/92/1074033092.db2.gz KZGKENXGJYMARW-UHFFFAOYSA-N 1 0 388.508 3.970 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001473627804 1074057186 /nfs/dbraw/zinc/05/71/86/1074057186.db2.gz QCDATBAVIYVOQU-WIYYLYMNSA-N 1 0 389.971 3.881 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001473644287 1074063327 /nfs/dbraw/zinc/06/33/27/1074063327.db2.gz BUZSBUOAPHCEAN-PKTZIBPZSA-N 1 0 391.515 3.615 20 30 GHEDRO CCC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473714861 1074103737 /nfs/dbraw/zinc/10/37/37/1074103737.db2.gz MCPYZCJVASGNRS-QFIPXVFZSA-N 1 0 377.488 3.974 20 30 GHEDRO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001473790626 1074143744 /nfs/dbraw/zinc/14/37/44/1074143744.db2.gz LSQHLLNDMDNJEK-KGLIPLIRSA-N 1 0 385.323 3.975 20 30 GHEDRO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001473855400 1074177498 /nfs/dbraw/zinc/17/74/98/1074177498.db2.gz TYQTUUQWXSQJMU-LJQANCHMSA-N 1 0 384.520 3.774 20 30 GHEDRO N#CC(CC[N@@H+]1CCCCCNC(=O)CC1)(c1ccccc1)c1ccccc1 ZINC001473882232 1074188798 /nfs/dbraw/zinc/18/87/98/1074188798.db2.gz FZLIMALWJZOVGG-UHFFFAOYSA-N 1 0 375.516 3.879 20 30 GHEDRO Cn1c(CC[NH2+]Cc2cc(C#N)ccc2Br)nc2cc(F)ccc21 ZINC001474018040 1074236779 /nfs/dbraw/zinc/23/67/79/1074236779.db2.gz VRXHMQFOJAMIAQ-UHFFFAOYSA-N 1 0 387.256 3.679 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1Cl ZINC001474068505 1074253379 /nfs/dbraw/zinc/25/33/79/1074253379.db2.gz INZSURLLVJMDPO-UHFFFAOYSA-N 1 0 379.909 3.739 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(-c2ccnn2C)c1 ZINC001474109386 1074266158 /nfs/dbraw/zinc/26/61/58/1074266158.db2.gz SQFTXJIPMBQXPI-UHFFFAOYSA-N 1 0 396.498 3.958 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC001474265593 1074317313 /nfs/dbraw/zinc/31/73/13/1074317313.db2.gz BYQGRISCVYNAHG-MRXNPFEDSA-N 1 0 375.925 3.563 20 30 GHEDRO C[N@H+](CCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1 ZINC001476057153 1075076954 /nfs/dbraw/zinc/07/69/54/1075076954.db2.gz VHUPWYMJKRWRRS-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC001476101100 1075084905 /nfs/dbraw/zinc/08/49/05/1075084905.db2.gz TWMGDBMXXLPFFU-BBRMVZONSA-N 1 0 380.439 3.744 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccnc1 ZINC001476126117 1075089220 /nfs/dbraw/zinc/08/92/20/1075089220.db2.gz LTQLSZSJMNLQNB-HSZRJFAPSA-N 1 0 399.498 3.691 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001497832237 1079518356 /nfs/dbraw/zinc/51/83/56/1079518356.db2.gz GIHOTLMLHGEGGG-LJQANCHMSA-N 1 0 394.567 3.978 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC1(C)C ZINC001500411963 1079600130 /nfs/dbraw/zinc/60/01/30/1079600130.db2.gz FSEAUPLDOJZQCK-UHFFFAOYSA-N 1 0 380.540 3.927 20 30 GHEDRO CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001501460209 1079626378 /nfs/dbraw/zinc/62/63/78/1079626378.db2.gz RMPSRGSWUJIYTP-JTSKRJEESA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCN2CC)cc1OC ZINC000022936682 570297014 /nfs/dbraw/zinc/29/70/14/570297014.db2.gz GVNQAXNGCRKULH-HNNXBMFYSA-N 1 0 383.330 3.596 20 30 GHEDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000820121309 606485270 /nfs/dbraw/zinc/48/52/70/606485270.db2.gz PLRCBNBEYNVUIV-UHFFFAOYSA-N 1 0 398.417 3.750 20 30 GHEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434544 608550010 /nfs/dbraw/zinc/55/00/10/608550010.db2.gz ALUFIVSOGLAMMZ-QGZVFWFLSA-N 1 0 389.507 3.800 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4C[C@@]4([NH3+])C3)cc2c1Cl ZINC001164420118 718897732 /nfs/dbraw/zinc/89/77/32/718897732.db2.gz KMADTDHZEWZSKQ-MGPLVRAMSA-N 1 0 383.229 3.886 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623288 719046266 /nfs/dbraw/zinc/04/62/66/719046266.db2.gz MQEQITZYNNAWEY-QFBILLFUSA-N 1 0 388.849 3.735 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(c1ccc(C[NH+]3CCCC3)cn1)[C@@H]2CC ZINC001164698595 719823547 /nfs/dbraw/zinc/82/35/47/719823547.db2.gz FGDROXYAOPLUCW-OFNKIYASSA-N 1 0 382.552 3.603 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(C#N)c[nH]c4n3)C[C@@H]21 ZINC001165027118 721815273 /nfs/dbraw/zinc/81/52/73/721815273.db2.gz SJDSMTUJTWLCSA-TYCQWZJGSA-N 1 0 386.503 3.566 20 30 GHEDRO C[C@H]1[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000580734507 837390823 /nfs/dbraw/zinc/39/08/23/837390823.db2.gz RQGANPDVDSBZGV-FDDCHVKYSA-N 1 0 388.515 3.895 20 30 GHEDRO C#C[C@@H]1CCCCN1C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000892637327 837417825 /nfs/dbraw/zinc/41/78/25/837417825.db2.gz NDKKLKZJFNLBJY-OAQYLSRUSA-N 1 0 392.503 3.503 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000176718082 837512952 /nfs/dbraw/zinc/51/29/52/837512952.db2.gz DGZUZKNRJUIBEQ-JPYJTQIMSA-N 1 0 391.515 3.794 20 30 GHEDRO CCC[C@@]1(CO)CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000581631248 837555280 /nfs/dbraw/zinc/55/52/80/837555280.db2.gz SPHUMNYUCHCUGH-YCRPNKLZSA-N 1 0 389.565 3.700 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000608867397 837698774 /nfs/dbraw/zinc/69/87/74/837698774.db2.gz SNRBYKHATXXDFM-QGZVFWFLSA-N 1 0 383.521 3.600 20 30 GHEDRO N#Cc1csc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000177020755 837718187 /nfs/dbraw/zinc/71/81/87/837718187.db2.gz CKBZJEQPEPWLDB-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000581868845 837737126 /nfs/dbraw/zinc/73/71/26/837737126.db2.gz ZBVUDDDMBRNXGN-OAQYLSRUSA-N 1 0 377.488 3.692 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(C#N)cs1 ZINC000177066279 837742656 /nfs/dbraw/zinc/74/26/56/837742656.db2.gz BCFQILOZFWSXMT-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO N#CCCC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000431812402 837761626 /nfs/dbraw/zinc/76/16/26/837761626.db2.gz TWZVUBIRMCJSKI-JOCHJYFZSA-N 1 0 391.519 3.780 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000160194467 834472074 /nfs/dbraw/zinc/47/20/74/834472074.db2.gz UPWHXTZERGEMJU-QFIPXVFZSA-N 1 0 379.504 3.923 20 30 GHEDRO C=CCSCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245674444 834690730 /nfs/dbraw/zinc/69/07/30/834690730.db2.gz IREFUBZSBWGLOS-WMLDXEAASA-N 1 0 385.936 3.690 20 30 GHEDRO C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000329277630 834721466 /nfs/dbraw/zinc/72/14/66/834721466.db2.gz KWNLVPLQQNKUNC-BRKWEVRTSA-N 1 0 385.552 3.751 20 30 GHEDRO CC(C)[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000329291953 834776788 /nfs/dbraw/zinc/77/67/88/834776788.db2.gz NOJRREUGIKIZDP-NQIIRXRSSA-N 1 0 387.524 3.629 20 30 GHEDRO COc1c(Cl)cc(Cl)cc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179510 834798399 /nfs/dbraw/zinc/79/83/99/834798399.db2.gz OQLRHDAEDUJPOH-OAHLLOKOSA-N 1 0 378.259 3.922 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1OCCCC#N ZINC000278362967 834820427 /nfs/dbraw/zinc/82/04/27/834820427.db2.gz JTMJYIVTZAPZCS-CRAIPNDOSA-N 1 0 386.414 3.513 20 30 GHEDRO COc1ccc(C)cc1CON=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000060197180 834902313 /nfs/dbraw/zinc/90/23/13/834902313.db2.gz YNTJIRANKRMHJV-UHFFFAOYSA-N 1 0 377.444 3.815 20 30 GHEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000246507087 834918644 /nfs/dbraw/zinc/91/86/44/834918644.db2.gz SYKWQCODGYHSJG-ZHALLVOQSA-N 1 0 396.453 3.510 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418590205 834926756 /nfs/dbraw/zinc/92/67/56/834926756.db2.gz TVHLMPCTAJCQDA-CABCVRRESA-N 1 0 384.293 3.556 20 30 GHEDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(=O)n3c4ccccc4[nH]c3c1C#N)C2 ZINC000728574833 834975365 /nfs/dbraw/zinc/97/53/65/834975365.db2.gz IITNFEAHYCHVMU-FQEVSTJZSA-N 1 0 398.466 3.681 20 30 GHEDRO CCc1ccc(CN2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)s1 ZINC000187157159 835076508 /nfs/dbraw/zinc/07/65/08/835076508.db2.gz PFBLNKJLRIXIMS-UHFFFAOYSA-N 1 0 379.529 3.558 20 30 GHEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000471151333 835079162 /nfs/dbraw/zinc/07/91/62/835079162.db2.gz KLDWVTPTISSNED-FQEVSTJZSA-N 1 0 382.895 3.551 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2cc(F)c(F)c(F)c2)c(-c2ccncc2)n1 ZINC000433335783 844025601 /nfs/dbraw/zinc/02/56/01/844025601.db2.gz MZFNLSNNAIFTEH-UHFFFAOYSA-N 1 0 385.393 3.608 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000282153442 835200709 /nfs/dbraw/zinc/20/07/09/835200709.db2.gz CHEXCWUZWHEXMM-UHFFFAOYSA-N 1 0 386.931 3.634 20 30 GHEDRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329562083 835254384 /nfs/dbraw/zinc/25/43/84/835254384.db2.gz JJROBVIUBVICLE-IRXDYDNUSA-N 1 0 393.413 3.653 20 30 GHEDRO C=C[C@H](CC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000536166486 835280914 /nfs/dbraw/zinc/28/09/14/835280914.db2.gz SDVKSJYYXRBVPT-ZJSXRUAMSA-N 1 0 391.559 3.841 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC000065737416 835408323 /nfs/dbraw/zinc/40/83/23/835408323.db2.gz KIIANJGAIILESC-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000254959730 835421545 /nfs/dbraw/zinc/42/15/45/835421545.db2.gz JUGRJGFKBYKEHO-XADARROHSA-N 1 0 384.520 3.750 20 30 GHEDRO N#Cc1ccc(CCC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612130848 835578834 /nfs/dbraw/zinc/57/88/34/835578834.db2.gz FDSHBHOLPRXRCY-RBZQAINGSA-N 1 0 387.527 3.908 20 30 GHEDRO N#Cc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612130852 835578960 /nfs/dbraw/zinc/57/89/60/835578960.db2.gz FDSHBHOLPRXRCY-WXFUMESZSA-N 1 0 387.527 3.908 20 30 GHEDRO Cc1cc(C)cc(NC(=O)[C@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255696433 835585511 /nfs/dbraw/zinc/58/55/11/835585511.db2.gz UVPIXCHBNRZHLQ-SFHVURJKSA-N 1 0 381.476 3.518 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)s2)cn1 ZINC000548872271 835692832 /nfs/dbraw/zinc/69/28/32/835692832.db2.gz ODFOAEFFBRAPOQ-UHFFFAOYSA-N 1 0 393.516 3.895 20 30 GHEDRO O=C(CC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000329724490 835781764 /nfs/dbraw/zinc/78/17/64/835781764.db2.gz BPCYONOTLGXAOC-SFHVURJKSA-N 1 0 379.460 3.530 20 30 GHEDRO N#CCC1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000612177720 835795475 /nfs/dbraw/zinc/79/54/75/835795475.db2.gz WKEPJLQDYQCIKE-BHIFYINESA-N 1 0 380.536 3.622 20 30 GHEDRO CC(C)N(C(=O)c1ccccc1OCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843696719 844094889 /nfs/dbraw/zinc/09/48/89/844094889.db2.gz YMXMWDUJRQRMKO-HXUWFJFHSA-N 1 0 377.488 3.714 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000162134873 835853676 /nfs/dbraw/zinc/85/36/76/835853676.db2.gz FEXZANQBXFLNAF-HXUWFJFHSA-N 1 0 386.540 3.631 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000573184786 835888675 /nfs/dbraw/zinc/88/86/75/835888675.db2.gz NMDJKNKDTCJQIZ-IBGZPJMESA-N 1 0 381.501 3.802 20 30 GHEDRO C=CCCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000893750641 844120242 /nfs/dbraw/zinc/12/02/42/844120242.db2.gz RRYVVSBEOTWIDS-VSKRKVRLSA-N 1 0 380.536 3.669 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000612365301 836121382 /nfs/dbraw/zinc/12/13/82/836121382.db2.gz HIINJDCRFMQVCG-RTBURBONSA-N 1 0 379.426 3.593 20 30 GHEDRO COc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000612402085 836178293 /nfs/dbraw/zinc/17/82/93/836178293.db2.gz FSUJYOQNIVJWIU-QHCPKHFHSA-N 1 0 375.516 3.678 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000612432144 836215155 /nfs/dbraw/zinc/21/51/55/836215155.db2.gz JCFFVLGLYACWEB-OAQYLSRUSA-N 1 0 376.504 3.510 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(Br)c1 ZINC000065930634 836253723 /nfs/dbraw/zinc/25/37/23/836253723.db2.gz DROAIRDZZXZNKM-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc2c(c1)CCC2 ZINC000065931111 836255864 /nfs/dbraw/zinc/25/58/64/836255864.db2.gz NLINHJCFOACDTA-UHFFFAOYSA-N 1 0 393.556 3.729 20 30 GHEDRO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000472440555 836386795 /nfs/dbraw/zinc/38/67/95/836386795.db2.gz YDDMSRODKGGNDP-SFHVURJKSA-N 1 0 377.916 3.502 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000582644630 836550261 /nfs/dbraw/zinc/55/02/61/836550261.db2.gz CMCMKBFWNYPIHA-CABCVRRESA-N 1 0 382.386 3.547 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413898466 836689462 /nfs/dbraw/zinc/68/94/62/836689462.db2.gz GRPIHRGOQQNZAW-OAQYLSRUSA-N 1 0 399.466 3.680 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180221749 836738089 /nfs/dbraw/zinc/73/80/89/836738089.db2.gz PLSFAJRRYQVTQR-MRXNPFEDSA-N 1 0 391.496 3.723 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ncccc2OCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000188688358 844196595 /nfs/dbraw/zinc/19/65/95/844196595.db2.gz ONXNLORESOXELN-PKOBYXMFSA-N 1 0 393.491 3.549 20 30 GHEDRO CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612804084 836799523 /nfs/dbraw/zinc/79/95/23/836799523.db2.gz UAFMLEIVUAKYRO-OAQYLSRUSA-N 1 0 386.499 3.901 20 30 GHEDRO CO[C@H](C)c1nc(CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cs1 ZINC000177568650 836808093 /nfs/dbraw/zinc/80/80/93/836808093.db2.gz RLYOFYXVXOYEIR-OAHLLOKOSA-N 1 0 388.537 3.674 20 30 GHEDRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c2ccccc2n1 ZINC000180254586 836880252 /nfs/dbraw/zinc/88/02/52/836880252.db2.gz YYCLHPVXXOSAEH-UHFFFAOYSA-N 1 0 383.455 3.805 20 30 GHEDRO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000510933351 844214841 /nfs/dbraw/zinc/21/48/41/844214841.db2.gz ZVGKQFMZAFKCSA-BTYIYWSLSA-N 1 0 383.442 3.943 20 30 GHEDRO Cn1cc(C[NH2+]CC2(c3ccccc3)CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180050168 836920936 /nfs/dbraw/zinc/92/09/36/836920936.db2.gz YIGZYJZUHBSCOR-UHFFFAOYSA-N 1 0 386.499 3.797 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c(Br)c1 ZINC001218245533 836962723 /nfs/dbraw/zinc/96/27/23/836962723.db2.gz GRQUDLPXGFWJDL-GIPNMCIBSA-N 1 0 386.087 3.603 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000027073453 837025610 /nfs/dbraw/zinc/02/56/10/837025610.db2.gz BSIYGPCVRIATQK-IBGZPJMESA-O 1 0 397.564 3.915 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(C)s1)[n+]1cccc(C)c1 ZINC000027479375 837053506 /nfs/dbraw/zinc/05/35/06/837053506.db2.gz MTDPHSPNFQBPSA-UHFFFAOYSA-O 1 0 379.596 3.934 20 30 GHEDRO CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000431717914 837095484 /nfs/dbraw/zinc/09/54/84/837095484.db2.gz HNQKSHMYLCYEPD-IFMALSPDSA-N 1 0 392.503 3.668 20 30 GHEDRO C#CC[N@@H+](CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)C1CCCCC1 ZINC001167273911 837128785 /nfs/dbraw/zinc/12/87/85/837128785.db2.gz ULMZJDURJTYWEU-UHFFFAOYSA-N 1 0 395.591 3.722 20 30 GHEDRO CN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000376168865 837132705 /nfs/dbraw/zinc/13/27/05/837132705.db2.gz YPGCXTDLEJXOTN-DNQXCXABSA-N 1 0 392.522 3.697 20 30 GHEDRO N#CCOc1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000029777238 837256724 /nfs/dbraw/zinc/25/67/24/837256724.db2.gz OGIQTPCOWSSLOF-VQFGERMISA-N 1 0 381.501 3.617 20 30 GHEDRO COC(=O)[C@@H]1[C@H](C[NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1(F)F ZINC000894164940 844260643 /nfs/dbraw/zinc/26/06/43/844260643.db2.gz LKRDJPMRAKZFBH-MBXMOIHESA-N 1 0 383.279 3.540 20 30 GHEDRO Cc1sc(NC(=O)CN(C)C2CC[NH+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000177170947 837895110 /nfs/dbraw/zinc/89/51/10/837895110.db2.gz ZMNAMJKQKMHPAM-UHFFFAOYSA-N 1 0 396.560 3.772 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1c(Br)ccc(OCC)c1F ZINC001139869792 844294453 /nfs/dbraw/zinc/29/44/53/844294453.db2.gz UAIKEVHROHDVOC-UHFFFAOYSA-N 1 0 387.293 3.567 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[NH2+]C3(Cc4ccc(F)cc4)CCOCC3)o2)c1 ZINC000549798036 844297244 /nfs/dbraw/zinc/29/72/44/844297244.db2.gz QZYKIXGXCDSRHS-UHFFFAOYSA-N 1 0 392.434 3.629 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610298243 838212350 /nfs/dbraw/zinc/21/23/50/838212350.db2.gz UCRQVGGNKTYKAE-JTHBVZDNSA-N 1 0 391.515 3.695 20 30 GHEDRO C[C@](C[NH3+])(NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CC1 ZINC000659296694 838225246 /nfs/dbraw/zinc/22/52/46/838225246.db2.gz HLFWHSAKHPAHOS-CYBMUJFWSA-N 1 0 386.311 3.833 20 30 GHEDRO Cc1cc(C(=O)NCc2ccccc2C[NH+](C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000728264857 838226314 /nfs/dbraw/zinc/22/63/14/838226314.db2.gz IDFTWDHFBNLSSK-UHFFFAOYSA-N 1 0 386.499 3.957 20 30 GHEDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659306756 838240694 /nfs/dbraw/zinc/24/06/94/838240694.db2.gz HPQMYIUPECSIGA-UHFFFAOYSA-N 1 0 384.295 3.626 20 30 GHEDRO C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460806232 838240971 /nfs/dbraw/zinc/24/09/71/838240971.db2.gz WIBGNURPHHGMTK-UHFFFAOYSA-N 1 0 385.581 3.987 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(Cl)c1F ZINC000181889813 838297491 /nfs/dbraw/zinc/29/74/91/838297491.db2.gz QGPIWLCJTYOLKB-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000613586211 838465892 /nfs/dbraw/zinc/46/58/92/838465892.db2.gz WCOGZSMTBZBFFR-FQEVSTJZSA-N 1 0 398.453 3.950 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(C#N)cc1F ZINC000181500765 838578369 /nfs/dbraw/zinc/57/83/69/838578369.db2.gz GKNWKGAOKUXMCJ-UHFFFAOYSA-N 1 0 395.482 3.540 20 30 GHEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000610356453 838655435 /nfs/dbraw/zinc/65/54/35/838655435.db2.gz SQJDDJKIZRVYIS-IBGZPJMESA-N 1 0 376.504 3.845 20 30 GHEDRO CC1(C)C[C@H](Oc2c(Br)cc(C#N)cc2Br)CC[NH2+]1 ZINC001218477509 838781257 /nfs/dbraw/zinc/78/12/57/838781257.db2.gz ZDWLUSLBUHPMJT-SNVBAGLBSA-N 1 0 388.103 3.993 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000580066546 838792578 /nfs/dbraw/zinc/79/25/78/838792578.db2.gz VOLALLVEPZFPBL-GHTZIAJQSA-N 1 0 381.520 3.603 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1OCC(F)(F)F ZINC000414833469 838870759 /nfs/dbraw/zinc/87/07/59/838870759.db2.gz FUUSNEYVXORCRS-HNNXBMFYSA-N 1 0 384.402 3.528 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000414834708 838871768 /nfs/dbraw/zinc/87/17/68/838871768.db2.gz GYUCUZRDPILOAR-GFCCVEGCSA-N 1 0 392.381 3.841 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1C#N ZINC000136146206 839027111 /nfs/dbraw/zinc/02/71/11/839027111.db2.gz AJCPXLXHAZMXRW-UHFFFAOYSA-N 1 0 380.517 3.544 20 30 GHEDRO CCCCC[N@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC001167367729 839057779 /nfs/dbraw/zinc/05/77/79/839057779.db2.gz RHYPKIMBCXJXBH-UHFFFAOYSA-N 1 0 388.556 3.905 20 30 GHEDRO CON=Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000255418058 844396048 /nfs/dbraw/zinc/39/60/48/844396048.db2.gz ZTZOKXMHYVLKEB-PGRDOPGGSA-N 1 0 379.504 3.792 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000458172533 844398657 /nfs/dbraw/zinc/39/86/57/844398657.db2.gz QTXZBNUDMMNXCG-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C1 ZINC000549434088 839099641 /nfs/dbraw/zinc/09/96/41/839099641.db2.gz CWCWXZCMGFJQQZ-LJQANCHMSA-N 1 0 380.540 3.641 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1cccc(C#N)c1 ZINC000610408410 839144866 /nfs/dbraw/zinc/14/48/66/839144866.db2.gz WFRHWTUOXVTGEA-HNNXBMFYSA-N 1 0 386.446 3.671 20 30 GHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000415076194 839164464 /nfs/dbraw/zinc/16/44/64/839164464.db2.gz CRGAWDNOMPZMAZ-KRWDZBQOSA-N 1 0 380.448 3.575 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415091677 839198990 /nfs/dbraw/zinc/19/89/90/839198990.db2.gz ZOSCULRCWOLXLP-WMLDXEAASA-N 1 0 380.448 3.608 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000458170595 844417101 /nfs/dbraw/zinc/41/71/01/844417101.db2.gz PFCGPAYOLXBSTD-LJQANCHMSA-N 1 0 393.535 3.542 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610433574 839340051 /nfs/dbraw/zinc/34/00/51/839340051.db2.gz ULQPWTGYKUSGFO-OFNKIYASSA-N 1 0 390.531 3.528 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000122384269 839481857 /nfs/dbraw/zinc/48/18/57/839481857.db2.gz MDNXCJKLSXRVLW-UZLBHIALSA-N 1 0 381.476 3.533 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000416687039 839534209 /nfs/dbraw/zinc/53/42/09/839534209.db2.gz NUXPXEMIJCDMLM-RTWAWAEBSA-N 1 0 380.467 3.677 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175814741 839626737 /nfs/dbraw/zinc/62/67/37/839626737.db2.gz HCIJZAXDWSTOMD-LSDHHAIUSA-N 1 0 375.519 3.598 20 30 GHEDRO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4cc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000728299620 839756643 /nfs/dbraw/zinc/75/66/43/839756643.db2.gz TWVNRBSQGNVFDP-QFIPXVFZSA-N 1 0 398.466 3.551 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000590260714 839776315 /nfs/dbraw/zinc/77/63/15/839776315.db2.gz TXBOGXAHXSMWQV-MAUKXSAKSA-N 1 0 379.426 3.898 20 30 GHEDRO N#Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Oc1ccccc1 ZINC000415533604 839922978 /nfs/dbraw/zinc/92/29/78/839922978.db2.gz IHRVQZQQKVCJJJ-CWFSZBLJSA-N 1 0 376.460 3.942 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000119267255 839995106 /nfs/dbraw/zinc/99/51/06/839995106.db2.gz UDYVVWSCAQJVNH-FYYLOGMGSA-N 1 0 389.499 3.694 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000580704097 840033926 /nfs/dbraw/zinc/03/39/26/840033926.db2.gz HAVKVHLZKNAKFB-HSALFYBXSA-N 1 0 393.478 3.510 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000580711879 840045331 /nfs/dbraw/zinc/04/53/31/840045331.db2.gz LDUKWPREGYZRIU-JOCHJYFZSA-N 1 0 394.519 3.642 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000418397981 840126787 /nfs/dbraw/zinc/12/67/87/840126787.db2.gz CMEMNDMVFYDNCN-UNMCSNQZSA-N 1 0 394.494 3.927 20 30 GHEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000555548213 861191721 /nfs/dbraw/zinc/19/17/21/861191721.db2.gz NPHPNWVWLCVNBV-YADHBBJMSA-N 1 0 389.499 3.680 20 30 GHEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000278835468 840157537 /nfs/dbraw/zinc/15/75/37/840157537.db2.gz ALCANTWULNCNFY-PMACEKPBSA-N 1 0 379.508 3.638 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001125941298 840214099 /nfs/dbraw/zinc/21/40/99/840214099.db2.gz GSBADQVAJPRJBN-UHFFFAOYSA-N 1 0 377.532 3.989 20 30 GHEDRO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000418456441 840252009 /nfs/dbraw/zinc/25/20/09/840252009.db2.gz CSVDFOOCJSKWOM-NRFANRHFSA-N 1 0 382.483 3.927 20 30 GHEDRO CS(=O)(=O)c1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc(C(F)(F)F)c1 ZINC000566708091 840282181 /nfs/dbraw/zinc/28/21/81/840282181.db2.gz JHOYSKWYKXPUOX-SFHVURJKSA-N 1 0 394.418 3.758 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000119350931 840342004 /nfs/dbraw/zinc/34/20/04/840342004.db2.gz FPZLBZXYAGTAFC-SFHVURJKSA-N 1 0 397.544 3.552 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508801028 844529998 /nfs/dbraw/zinc/52/99/98/844529998.db2.gz JNVGMWNAQUDCFF-UHFFFAOYSA-N 1 0 390.535 3.532 20 30 GHEDRO O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328755117 840370630 /nfs/dbraw/zinc/37/06/30/840370630.db2.gz SSICBCMKKCDTCZ-UXHICEINSA-N 1 0 384.524 3.656 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000580887956 840380700 /nfs/dbraw/zinc/38/07/00/840380700.db2.gz BPCTYDCXTUACTQ-ZRBLBEILSA-N 1 0 381.516 3.724 20 30 GHEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001167439419 840469333 /nfs/dbraw/zinc/46/93/33/840469333.db2.gz WOCGVHAKVWKQDI-AYBZRNKSSA-N 1 0 378.438 3.826 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000555548171 861192282 /nfs/dbraw/zinc/19/22/82/861192282.db2.gz IRFJYRZDWURFMQ-AUUYWEPGSA-N 1 0 383.879 3.672 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000584689885 840563532 /nfs/dbraw/zinc/56/35/32/840563532.db2.gz KPNUPLUUQLWDSO-OXQOHEQNSA-N 1 0 390.405 3.885 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418563857 840578564 /nfs/dbraw/zinc/57/85/64/840578564.db2.gz IOFZPSABTCWVCE-APWZRJJASA-N 1 0 391.487 3.870 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000610810777 844564283 /nfs/dbraw/zinc/56/42/83/844564283.db2.gz IBYIOMIXULQEJC-LJQANCHMSA-N 1 0 391.515 3.839 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000417391221 840807700 /nfs/dbraw/zinc/80/77/00/840807700.db2.gz RIBRQBANJOTBQL-QRWLVFNGSA-N 1 0 393.487 3.960 20 30 GHEDRO Cc1noc(C2CCC([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)CC2)n1 ZINC000364136085 840935942 /nfs/dbraw/zinc/93/59/42/840935942.db2.gz VSCIXFMONCWGEC-UHFFFAOYSA-N 1 0 390.491 3.971 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](O)COc1cccc2ccccc21 ZINC000581259094 840958983 /nfs/dbraw/zinc/95/89/83/840958983.db2.gz XTILZGRUNIWCJS-OAQYLSRUSA-N 1 0 375.472 3.757 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000417603689 841048211 /nfs/dbraw/zinc/04/82/11/841048211.db2.gz SMHUBBFRXDZFHV-YMTQGWHGSA-N 1 0 392.503 3.767 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+]2CCCCC2)cc1 ZINC000151114378 844617755 /nfs/dbraw/zinc/61/77/55/844617755.db2.gz IBNLFGWUYQIAQS-FQEVSTJZSA-N 1 0 399.441 3.802 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](C)C2)c1C#N ZINC000123033730 841276992 /nfs/dbraw/zinc/27/69/92/841276992.db2.gz WOCGEZGRWHHFAW-HZPDHXFCSA-N 1 0 382.508 3.924 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2ccc(Cl)cc2Cl)=[NH+]C)C1 ZINC000261781365 844629251 /nfs/dbraw/zinc/62/92/51/844629251.db2.gz QCOXWQMAZWGIIX-FENDNCTDSA-N 1 0 390.380 3.738 20 30 GHEDRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000417984771 841362162 /nfs/dbraw/zinc/36/21/62/841362162.db2.gz DPGFUVFNQAPSBP-IEBWSBKVSA-N 1 0 376.504 3.927 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc2ccccc2o1 ZINC000684255423 841370056 /nfs/dbraw/zinc/37/00/56/841370056.db2.gz HBNVYMKMSLTCMJ-UHFFFAOYSA-N 1 0 383.521 3.926 20 30 GHEDRO C[C@@H](C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000500072697 841372147 /nfs/dbraw/zinc/37/21/47/841372147.db2.gz HRDXZMVXMHLWDD-GJZGRUSLSA-N 1 0 389.425 3.681 20 30 GHEDRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185685402 861196222 /nfs/dbraw/zinc/19/62/22/861196222.db2.gz FCEAJIACQGMFFN-ZOBUZTSGSA-N 1 0 388.943 3.781 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000581425980 841390007 /nfs/dbraw/zinc/39/00/07/841390007.db2.gz AOWXNVQZUMFZPF-SFHVURJKSA-N 1 0 376.504 3.777 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000661119071 841414964 /nfs/dbraw/zinc/41/49/64/841414964.db2.gz BQMLZQJKXZCCEN-FKBYEOEOSA-N 1 0 397.563 3.569 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc1Cl ZINC000563068261 841455455 /nfs/dbraw/zinc/45/54/55/841455455.db2.gz MFCALBOSXVIGID-FXAWDEMLSA-N 1 0 389.927 3.786 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CCC[NH2+]1 ZINC000662716491 841468126 /nfs/dbraw/zinc/46/81/26/841468126.db2.gz UHNWLAGCGKOLTO-JOCHJYFZSA-N 1 0 376.460 3.550 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)CCC[NH2+]1 ZINC000662720764 841483756 /nfs/dbraw/zinc/48/37/56/841483756.db2.gz CSVNBAIJDQGVPJ-JOCHJYFZSA-N 1 0 376.460 3.550 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)/C=C\c2ccccc2C#N)[NH+]2CCCC2)cc1 ZINC000255310051 841508698 /nfs/dbraw/zinc/50/86/98/841508698.db2.gz XANQXMLRPZNFDL-VPAPRSNLSA-N 1 0 375.472 3.533 20 30 GHEDRO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1COCCN1C1CCCC1 ZINC000329255509 861208628 /nfs/dbraw/zinc/20/86/28/861208628.db2.gz AOKXJJHHMXDJBP-QGZVFWFLSA-N 1 0 394.899 3.601 20 30 GHEDRO N#CC(CC[NH+]1CCC(C2OCCO2)CC1)(c1ccccc1)c1ccccc1 ZINC000191472531 841537895 /nfs/dbraw/zinc/53/78/95/841537895.db2.gz CPNKGXMFZAOKEZ-UHFFFAOYSA-N 1 0 376.500 3.971 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000893439445 841556507 /nfs/dbraw/zinc/55/65/07/841556507.db2.gz GNHYIYNTAZOZMV-JXFKEZNVSA-N 1 0 382.533 3.672 20 30 GHEDRO C=CC[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(COCc3ccco3)c2)C1 ZINC000661381044 841691218 /nfs/dbraw/zinc/69/12/18/841691218.db2.gz UIHKZTZQYIVGOS-LJQANCHMSA-N 1 0 382.504 3.901 20 30 GHEDRO Cc1cccc(Oc2cc(CNC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)ccn2)c1C ZINC000329271790 861230511 /nfs/dbraw/zinc/23/05/11/861230511.db2.gz IFZRBODGSNVQLH-PMACEKPBSA-N 1 0 394.519 3.931 20 30 GHEDRO CCOc1ccc2nc(NC(=O)CN3CC[C@H]([NH+]4CCCCC4)C3)sc2c1 ZINC000329272269 861231051 /nfs/dbraw/zinc/23/10/51/861231051.db2.gz HTZJUGYAROGCAO-HNNXBMFYSA-N 1 0 388.537 3.843 20 30 GHEDRO C[C@H]1Oc2ccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2NC1=O ZINC000329289223 861247614 /nfs/dbraw/zinc/24/76/14/861247614.db2.gz MXRZFFMQZXCWMV-DOMZBBRYSA-N 1 0 375.494 3.861 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000541620086 841953949 /nfs/dbraw/zinc/95/39/49/841953949.db2.gz GIFYECLGPVPNPU-UHFFFAOYSA-N 1 0 375.822 3.948 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510447887 841977678 /nfs/dbraw/zinc/97/76/78/841977678.db2.gz YCLVNOAWHGWQLY-CYMONXJESA-N 1 0 393.535 3.602 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)cc1OC ZINC000181973567 842069350 /nfs/dbraw/zinc/06/93/50/842069350.db2.gz OVMHUVXBPSMTFA-MRXNPFEDSA-N 1 0 393.487 3.531 20 30 GHEDRO C[C@H](Cc1cccc(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000555563140 861267569 /nfs/dbraw/zinc/26/75/69/861267569.db2.gz WPOIMDDAXNEBEX-QGZVFWFLSA-N 1 0 383.923 3.981 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cnc1N1CCCC[C@H]1C ZINC000329317120 861278868 /nfs/dbraw/zinc/27/88/68/861278868.db2.gz DBFJGINIXZQZAL-QUCCMNQESA-N 1 0 399.583 3.978 20 30 GHEDRO C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[N@@H+](C2CC2)C1 ZINC000570161755 842266738 /nfs/dbraw/zinc/26/67/38/842266738.db2.gz DSKQOOXBFNTCSD-SFHVURJKSA-N 1 0 389.499 3.694 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1Cl ZINC000570590049 842313355 /nfs/dbraw/zinc/31/33/55/842313355.db2.gz GHAGENLVHKJLNO-SBHAEUEKSA-N 1 0 395.890 3.655 20 30 GHEDRO O=C(CC1(CC(=O)N2CC[NH+]3CCC2CC3)CCCCC1)Nc1nccs1 ZINC000329336503 861298657 /nfs/dbraw/zinc/29/86/57/861298657.db2.gz LVYQKKSVIZAJSS-UHFFFAOYSA-N 1 0 390.553 3.768 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875805 861305922 /nfs/dbraw/zinc/30/59/22/861305922.db2.gz QJNQYCWKPGHZID-NRFANRHFSA-N 1 0 396.579 3.910 20 30 GHEDRO C[C@@H](c1noc(-c2ccccc2)n1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000477647108 842406951 /nfs/dbraw/zinc/40/69/51/842406951.db2.gz VLZDGGMXTVIKQF-SFHVURJKSA-N 1 0 387.487 3.877 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)CC1 ZINC000408332277 842515941 /nfs/dbraw/zinc/51/59/41/842515941.db2.gz WAZBQHPKBDRQBC-GOSISDBHSA-N 1 0 377.536 3.652 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000163084277 842598280 /nfs/dbraw/zinc/59/82/80/842598280.db2.gz YHJKQHAGILLLTA-LQWHRVPQSA-N 1 0 377.488 3.785 20 30 GHEDRO C[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1n1ccnc1 ZINC000156471751 842661699 /nfs/dbraw/zinc/66/16/99/842661699.db2.gz GFMFFBFTDPYOCY-UWJYYQICSA-N 1 0 375.476 3.517 20 30 GHEDRO CC(C)C[C@H]([NH3+])[C@H](O)Cc1nc(-c2ccc(Oc3ccc(C#N)cc3)cc2)no1 ZINC001211685267 842668401 /nfs/dbraw/zinc/66/84/01/842668401.db2.gz RRUJPMDPNLPPDP-VQTJNVASSA-N 1 0 392.459 3.677 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1C ZINC000163100368 842706633 /nfs/dbraw/zinc/70/66/33/842706633.db2.gz AYZHLGOBVPAVQB-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000182089759 842735349 /nfs/dbraw/zinc/73/53/49/842735349.db2.gz SHWMFNYAWDTQKC-NRFANRHFSA-N 1 0 387.886 3.638 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000613964960 842749279 /nfs/dbraw/zinc/74/92/79/842749279.db2.gz MGWJLXPFVZKJDF-SLFFLAALSA-N 1 0 395.572 3.719 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000279264765 842775023 /nfs/dbraw/zinc/77/50/23/842775023.db2.gz JSLFYKAKCIFHLB-UHFFFAOYSA-N 1 0 387.487 3.604 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549637041 842836191 /nfs/dbraw/zinc/83/61/91/842836191.db2.gz BZWFLUOCFRYMSK-UHFFFAOYSA-N 1 0 385.943 3.773 20 30 GHEDRO COC1CC[NH+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000610571697 842840347 /nfs/dbraw/zinc/84/03/47/842840347.db2.gz WTBBWVZFGIMWNK-UHFFFAOYSA-N 1 0 395.528 3.550 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549639660 842866846 /nfs/dbraw/zinc/86/68/46/842866846.db2.gz PRWJZYSMOJWCIE-FQEVSTJZSA-N 1 0 397.542 3.896 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+](C)C ZINC000510510901 842886384 /nfs/dbraw/zinc/88/63/84/842886384.db2.gz JLZIDKKBTUQZCJ-KKSFZXQISA-N 1 0 379.479 3.845 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H]1COc2ccccc21 ZINC000163049535 842953994 /nfs/dbraw/zinc/95/39/94/842953994.db2.gz PABODYCQNODVKE-GUXCAODWSA-N 1 0 381.451 3.615 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000510572477 842973202 /nfs/dbraw/zinc/97/32/02/842973202.db2.gz SEGPXTGWZCAIJS-HSZRJFAPSA-N 1 0 375.516 3.856 20 30 GHEDRO C[N@H+](CCCOc1ccc(F)cc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279322882 842984103 /nfs/dbraw/zinc/98/41/03/842984103.db2.gz BWZKOJAJXNPXQP-UHFFFAOYSA-N 1 0 393.466 3.899 20 30 GHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000510591650 843000794 /nfs/dbraw/zinc/00/07/94/843000794.db2.gz MXPZXSOLBYBZCV-QFIPXVFZSA-N 1 0 391.515 3.541 20 30 GHEDRO C[C@H]([NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000471864226 843009980 /nfs/dbraw/zinc/00/99/80/843009980.db2.gz YREMBTYNSZCPJY-IHPCNDPISA-N 1 0 383.536 3.691 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000510673247 843167126 /nfs/dbraw/zinc/16/71/26/843167126.db2.gz ACRGNBGJFYDTOK-VQIMIIECSA-N 1 0 378.476 3.914 20 30 GHEDRO C=CC[C@]1(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CCC[NH2+]1 ZINC000662453184 843269482 /nfs/dbraw/zinc/26/94/82/843269482.db2.gz ZRWOABCIHDJQSS-HSZRJFAPSA-N 1 0 380.488 3.589 20 30 GHEDRO O=C(CCc1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000329424854 861403278 /nfs/dbraw/zinc/40/32/78/861403278.db2.gz GDTWHVKJNAELRO-FPOVZHCZSA-N 1 0 383.536 3.584 20 30 GHEDRO COC(=O)[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000512331444 843421309 /nfs/dbraw/zinc/42/13/09/843421309.db2.gz OKPCGVZZVBYRLY-RZFNWQHOSA-N 1 0 391.515 3.663 20 30 GHEDRO COC(=O)[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000512331442 843421639 /nfs/dbraw/zinc/42/16/39/843421639.db2.gz OKPCGVZZVBYRLY-JMUQELJHSA-N 1 0 391.515 3.663 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000329432938 861417670 /nfs/dbraw/zinc/41/76/70/861417670.db2.gz KSCULHWQNLQYOH-IBGZPJMESA-N 1 0 375.488 3.917 20 30 GHEDRO COC(=O)c1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1Cl ZINC000599629476 861420439 /nfs/dbraw/zinc/42/04/39/861420439.db2.gz GRDUEXUEKPYESC-UHFFFAOYSA-N 1 0 384.863 3.794 20 30 GHEDRO CCOc1ccccc1NC(=O)CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634042 861425750 /nfs/dbraw/zinc/42/57/50/861425750.db2.gz KWOAVETWUDFINB-UHFFFAOYSA-N 1 0 393.487 3.581 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000178887838 861428719 /nfs/dbraw/zinc/42/87/19/861428719.db2.gz DDHFQCPRZJZRFK-UHFFFAOYSA-N 1 0 391.231 3.848 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418709727 843565418 /nfs/dbraw/zinc/56/54/18/843565418.db2.gz DFPNSMOLXWCZRT-BBRMVZONSA-N 1 0 398.320 3.803 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCCN(c3ccc(C(=O)OCC)cn3)CC2)cc1 ZINC000512375500 843585314 /nfs/dbraw/zinc/58/53/14/843585314.db2.gz SWORVONFWVMVPR-UHFFFAOYSA-N 1 0 395.503 3.535 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000500528127 843592745 /nfs/dbraw/zinc/59/27/45/843592745.db2.gz SOEWBQARILCKTP-FGZHOGPDSA-N 1 0 395.551 3.997 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000053968493 843683405 /nfs/dbraw/zinc/68/34/05/843683405.db2.gz YPEXKPQCINSGNL-UHFFFAOYSA-N 1 0 393.556 3.881 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCc3c(O)cccc3C2)sc2c1CCCCC2 ZINC000599647602 861446301 /nfs/dbraw/zinc/44/63/01/861446301.db2.gz RBJSJHVJDZOLAR-UHFFFAOYSA-N 1 0 395.528 3.981 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599664653 861455761 /nfs/dbraw/zinc/45/57/61/861455761.db2.gz FDHDHEMCZJDKCL-QGZVFWFLSA-N 1 0 395.286 3.966 20 30 GHEDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000891916966 843797906 /nfs/dbraw/zinc/79/79/06/843797906.db2.gz OWNPKSZBLDKZJQ-FCHUYYIVSA-N 1 0 392.503 3.786 20 30 GHEDRO COc1cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)ccc1Cl ZINC000555636849 861458502 /nfs/dbraw/zinc/45/85/02/861458502.db2.gz AZDKRHZKQJSQKY-UHFFFAOYSA-N 1 0 395.894 3.853 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000419288554 843884929 /nfs/dbraw/zinc/88/49/29/843884929.db2.gz HUCVZTFSSNNYPZ-IBGZPJMESA-N 1 0 382.552 3.545 20 30 GHEDRO C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000481463305 861468609 /nfs/dbraw/zinc/46/86/09/861468609.db2.gz YGAVINMPJVFCQP-QFBILLFUSA-N 1 0 381.480 3.577 20 30 GHEDRO CN1CC[NH+](CC2(C)CCN(c3c(C#N)cnc4c(Cl)cccc43)CC2)CC1 ZINC000572634836 843907738 /nfs/dbraw/zinc/90/77/38/843907738.db2.gz RCTFLLHVJGQYBB-UHFFFAOYSA-N 1 0 397.954 3.614 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCc1ccc(C#N)cc1 ZINC000150892864 843945639 /nfs/dbraw/zinc/94/56/39/843945639.db2.gz XRNRTBLJYOEALB-OALUTQOASA-N 1 0 375.516 3.764 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1Cl ZINC000411960514 843953547 /nfs/dbraw/zinc/95/35/47/843953547.db2.gz YYQGFSZRNHPKRS-PZJWPPBQSA-N 1 0 397.906 3.703 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H](O)COCC(F)(F)F)cc1 ZINC000432821288 843965885 /nfs/dbraw/zinc/96/58/85/843965885.db2.gz WOATZYRMGQCNEG-LJQANCHMSA-N 1 0 396.384 3.639 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ncc(C(F)(F)F)s3)C2)c(F)c1 ZINC000433310459 844007072 /nfs/dbraw/zinc/00/70/72/844007072.db2.gz IBMDGTPIFBOPSJ-GFCCVEGCSA-N 1 0 384.402 3.931 20 30 GHEDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1cccc(Br)c1 ZINC000329471525 861493600 /nfs/dbraw/zinc/49/36/00/861493600.db2.gz ZOHIDROOWXTNPU-UAGQMJEPSA-N 1 0 379.298 3.974 20 30 GHEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000333337423 844770714 /nfs/dbraw/zinc/77/07/14/844770714.db2.gz PDZODDJSKMOAQW-INIZCTEOSA-N 1 0 391.313 3.563 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2c2ccnn2C)C1 ZINC000329477323 861500149 /nfs/dbraw/zinc/50/01/49/861500149.db2.gz OFORRGAQIRIMCZ-SCTDSRPQSA-N 1 0 375.561 3.618 20 30 GHEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cn(-c2ccccc2Cl)nn1 ZINC000329484660 861518228 /nfs/dbraw/zinc/51/82/28/861518228.db2.gz SKIQOTJGWQEDEB-UHFFFAOYSA-N 1 0 387.915 3.880 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000151145656 844988003 /nfs/dbraw/zinc/98/80/03/844988003.db2.gz UVMJSOWEEQQCGB-RBUKOAKNSA-N 1 0 383.442 3.530 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccncc3Br)CC2)CC1 ZINC000329487360 861521363 /nfs/dbraw/zinc/52/13/63/861521363.db2.gz GQFNQHUTSQNOSL-UHFFFAOYSA-N 1 0 395.345 3.635 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)C23CCCC3)c1C#N ZINC000433040889 845046161 /nfs/dbraw/zinc/04/61/61/845046161.db2.gz SJRBFNBDQYIVBO-FQEVSTJZSA-N 1 0 398.551 3.800 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N(CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000513206394 845049975 /nfs/dbraw/zinc/04/99/75/845049975.db2.gz KPZUKXDLUWIKOX-UHFFFAOYSA-N 1 0 379.504 3.689 20 30 GHEDRO N#Cc1ccccc1OCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513209796 845052697 /nfs/dbraw/zinc/05/26/97/845052697.db2.gz LDRZZGCVRDUSIQ-HXUWFJFHSA-N 1 0 390.405 3.947 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000600314182 861554505 /nfs/dbraw/zinc/55/45/05/861554505.db2.gz MLVPFVHMINJXFS-LJQANCHMSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(F)c1OC)[C@@H]2CC ZINC001143553276 845345600 /nfs/dbraw/zinc/34/56/00/845345600.db2.gz RGUZQXIPLYQMEZ-NQIIRXRSSA-N 1 0 378.463 3.895 20 30 GHEDRO CC1(C#N)CC[NH+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 ZINC000611561329 845392246 /nfs/dbraw/zinc/39/22/46/845392246.db2.gz KRPQEAUAKKPIPE-UHFFFAOYSA-N 1 0 382.533 3.772 20 30 GHEDRO [NH2+]=C(NCc1ccccc1CN1CCCC1=O)Nc1cccc2c1CCCC2 ZINC000262490539 845406889 /nfs/dbraw/zinc/40/68/89/845406889.db2.gz UUWJYCKJUFUOED-UHFFFAOYSA-N 1 0 376.504 3.615 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513521583 845575194 /nfs/dbraw/zinc/57/51/94/845575194.db2.gz OIDBZUUNNTVUOS-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1SCC#N ZINC000843814106 861585831 /nfs/dbraw/zinc/58/58/31/861585831.db2.gz HLLNUYBZZUFAKQ-PXNSSMCTSA-N 1 0 379.529 3.943 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000119596674 845610718 /nfs/dbraw/zinc/61/07/18/845610718.db2.gz UNJPDHYSYNEOHS-FYYLOGMGSA-N 1 0 389.499 3.694 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000600315516 861586665 /nfs/dbraw/zinc/58/66/65/861586665.db2.gz UPTLVGIQDIVJBL-FQEVSTJZSA-N 1 0 377.488 3.599 20 30 GHEDRO CC1(C)CCCc2sc(NC(=O)NCC3([NH+]4CCCC4)CCOCC3)nc21 ZINC000329521885 861588270 /nfs/dbraw/zinc/58/82/70/861588270.db2.gz PCPUHPSLDMLCET-UHFFFAOYSA-N 1 0 392.569 3.728 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2OCC(F)(F)F)c1 ZINC000104177236 845809907 /nfs/dbraw/zinc/80/99/07/845809907.db2.gz MEDUZFJSJYJNIA-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO Cc1ccc(CO[C@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000599752620 861631972 /nfs/dbraw/zinc/63/19/72/861631972.db2.gz SWUCGSHOTUBQSX-HXUWFJFHSA-N 1 0 391.515 3.575 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[NH+]1CCCCC1 ZINC000329551762 861648190 /nfs/dbraw/zinc/64/81/90/861648190.db2.gz PMMRMMRIVOHSQB-HNNXBMFYSA-N 1 0 391.491 3.540 20 30 GHEDRO C[C@H](CCNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[NH+]1CCCCC1 ZINC000329551764 861648699 /nfs/dbraw/zinc/64/86/99/861648699.db2.gz PMMRMMRIVOHSQB-OAHLLOKOSA-N 1 0 391.491 3.540 20 30 GHEDRO COC(=O)CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000513656824 846201276 /nfs/dbraw/zinc/20/12/76/846201276.db2.gz XVYCKOPTYIENJH-QFIPXVFZSA-N 1 0 377.488 3.811 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cc1F ZINC000421385243 846202182 /nfs/dbraw/zinc/20/21/82/846202182.db2.gz QGMGVDFUYVWSQU-CQSZACIVSA-N 1 0 395.247 3.540 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC(C)C)[n+]2ccc(N(C)C)cc2)cc1 ZINC000280482693 846420916 /nfs/dbraw/zinc/42/09/16/846420916.db2.gz AQQKHUQHOXHVDX-UHFFFAOYSA-O 1 0 384.569 3.929 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000502812338 846495016 /nfs/dbraw/zinc/49/50/16/846495016.db2.gz QOHPMZFIJFATKH-GOSISDBHSA-N 1 0 381.442 3.621 20 30 GHEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000375674961 846539665 /nfs/dbraw/zinc/53/96/65/846539665.db2.gz CIXOWSUEULKNGM-IAGOWNOFSA-N 1 0 394.519 3.721 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419437844 846551996 /nfs/dbraw/zinc/55/19/96/846551996.db2.gz FTWZDOVTOSUQKI-WOJBJXKFSA-N 1 0 380.492 3.911 20 30 GHEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000501108664 846649996 /nfs/dbraw/zinc/64/99/96/846649996.db2.gz QXCZLLXPQIBIMW-INIZCTEOSA-N 1 0 394.523 3.599 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000501225318 846757195 /nfs/dbraw/zinc/75/71/95/846757195.db2.gz FJPZYWDVBTULCG-UHFFFAOYSA-N 1 0 382.430 3.747 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422028845 846759728 /nfs/dbraw/zinc/75/97/28/846759728.db2.gz YPKDLWLZNCKAEP-UHFFFAOYSA-N 1 0 387.593 3.597 20 30 GHEDRO C[C@@](C#N)(NC(=O)CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000511110697 847063698 /nfs/dbraw/zinc/06/36/98/847063698.db2.gz RMHMTPZTDQCNQY-KXBFYZLASA-N 1 0 379.426 3.693 20 30 GHEDRO Cc1cc(C)nc(-n2cc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)c(C(C)C)n2)n1 ZINC000329605882 861755185 /nfs/dbraw/zinc/75/51/85/861755185.db2.gz HRLYQFWZMJSMDA-GOSISDBHSA-N 1 0 398.555 3.828 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1OC ZINC000628351907 847166281 /nfs/dbraw/zinc/16/62/81/847166281.db2.gz RQZJGHMKWMVNQM-MRXNPFEDSA-N 1 0 380.916 3.650 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091224170 847171706 /nfs/dbraw/zinc/17/17/06/847171706.db2.gz RUKFDRYNVPSJSF-UHFFFAOYSA-N 1 0 376.504 3.899 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000501779126 847179424 /nfs/dbraw/zinc/17/94/24/847179424.db2.gz XABVIUNKLGXYAC-IRXDYDNUSA-N 1 0 395.469 3.724 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000501785518 847182561 /nfs/dbraw/zinc/18/25/61/847182561.db2.gz LMYRJWOJFURZGL-QZTJIDSGSA-N 1 0 387.487 3.703 20 30 GHEDRO COc1cccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000604102567 861786833 /nfs/dbraw/zinc/78/68/33/861786833.db2.gz JNXRODVALAYFFB-GOSISDBHSA-N 1 0 392.503 3.545 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000502148665 847521340 /nfs/dbraw/zinc/52/13/40/847521340.db2.gz NDJQVRGYPJVDNE-MRXNPFEDSA-N 1 0 384.446 3.937 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000503264099 847536112 /nfs/dbraw/zinc/53/61/12/847536112.db2.gz IRNIXLQCFYWLSC-IBGZPJMESA-N 1 0 389.293 3.955 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc(OC)c1O ZINC000503271108 847538892 /nfs/dbraw/zinc/53/88/92/847538892.db2.gz VFBLKCAVOOVDCC-KRWDZBQOSA-N 1 0 392.293 3.715 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)CC2)cc1 ZINC000502157905 847561289 /nfs/dbraw/zinc/56/12/89/847561289.db2.gz FRUWXCPPPHQUHD-JOCHJYFZSA-N 1 0 378.520 3.621 20 30 GHEDRO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000421046901 847661916 /nfs/dbraw/zinc/66/19/16/847661916.db2.gz XBGMDGAHUDHUDY-UHFFFAOYSA-N 1 0 385.489 3.630 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000664324238 847763332 /nfs/dbraw/zinc/76/33/32/847763332.db2.gz WUZOZYRGQHMLEC-AVRDEDQJSA-N 1 0 385.552 3.577 20 30 GHEDRO Cc1ccc(N2CCOCC2)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000366799469 847808081 /nfs/dbraw/zinc/80/80/81/847808081.db2.gz HDBMEWDDKHFTIZ-UHFFFAOYSA-N 1 0 390.531 3.780 20 30 GHEDRO C[N@H+](CCCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000502383660 847829253 /nfs/dbraw/zinc/82/92/53/847829253.db2.gz VMKHBKHUYYNZHO-UHFFFAOYSA-N 1 0 388.515 3.879 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1OC ZINC000623744198 861838091 /nfs/dbraw/zinc/83/80/91/861838091.db2.gz QRUXYRGNTBOAJJ-UHFFFAOYSA-N 1 0 388.851 3.648 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000158694589 847936135 /nfs/dbraw/zinc/93/61/35/847936135.db2.gz DCTPYXNBHJCILV-HXUWFJFHSA-N 1 0 375.472 3.969 20 30 GHEDRO C=C(C)[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481603494 861850027 /nfs/dbraw/zinc/85/00/27/861850027.db2.gz YWSCYJCLODDDDY-IFMALSPDSA-N 1 0 387.474 3.591 20 30 GHEDRO C=C(C)[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481603497 861850382 /nfs/dbraw/zinc/85/03/82/861850382.db2.gz YWSCYJCLODDDDY-UNMCSNQZSA-N 1 0 387.474 3.591 20 30 GHEDRO N#Cc1cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(Cl)c1 ZINC000121847716 848103955 /nfs/dbraw/zinc/10/39/55/848103955.db2.gz SSUYLRAXXWQYLF-UHFFFAOYSA-N 1 0 381.911 3.751 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000548770679 848402772 /nfs/dbraw/zinc/40/27/72/848402772.db2.gz WHOYYVRQGJPABY-AVRDEDQJSA-N 1 0 377.488 3.926 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(CC#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481627046 861904475 /nfs/dbraw/zinc/90/44/75/861904475.db2.gz JCAFIVGLIFMINC-UHFFFAOYSA-N 1 0 376.504 3.844 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)C1 ZINC000048827935 848664002 /nfs/dbraw/zinc/66/40/02/848664002.db2.gz VNPNMIXHINYVHR-GOSISDBHSA-N 1 0 376.504 3.790 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2nc3ccccc3cc2CC#N)CCC([NH3+])CC1 ZINC001167642610 848773964 /nfs/dbraw/zinc/77/39/64/848773964.db2.gz NUFQGTGNOGFXSX-UHFFFAOYSA-N 1 0 380.492 3.695 20 30 GHEDRO CSCC[C@](C)(C#N)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000583049597 848950327 /nfs/dbraw/zinc/95/03/27/848950327.db2.gz YTFIFICWAUQBEK-JOCHJYFZSA-N 1 0 398.576 3.559 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N(C)Cc1cc(Cl)cn1C ZINC000158768743 849002777 /nfs/dbraw/zinc/00/27/77/849002777.db2.gz ZTFOQGPUGNMONP-PXNSSMCTSA-N 1 0 388.943 3.854 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006030 862004052 /nfs/dbraw/zinc/00/40/52/862004052.db2.gz KFXLCTOZSZEPQI-JOCHJYFZSA-N 1 0 395.503 3.565 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCC(c3ccc(F)cc3)CC2)c1 ZINC000583436540 849904086 /nfs/dbraw/zinc/90/40/86/849904086.db2.gz MLSCDNCMBRKNDV-UHFFFAOYSA-N 1 0 386.492 3.787 20 30 GHEDRO CC(C)[NH+](CCN(C)C(=O)c1occc1COc1cccc(C#N)c1)C(C)C ZINC000504144935 849922024 /nfs/dbraw/zinc/92/20/24/849922024.db2.gz PJUGNNMPHOIWPW-UHFFFAOYSA-N 1 0 383.492 3.921 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC000435042472 850005205 /nfs/dbraw/zinc/00/52/05/850005205.db2.gz NFXKCPVGSYJKOJ-NRFANRHFSA-N 1 0 389.499 3.552 20 30 GHEDRO CC(C)(CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000505609564 850082016 /nfs/dbraw/zinc/08/20/16/850082016.db2.gz ZIWGRTHDZSPFRV-UHFFFAOYSA-N 1 0 393.506 3.928 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000604362148 862094389 /nfs/dbraw/zinc/09/43/89/862094389.db2.gz NBEUDGKCLBEJPA-IAGOWNOFSA-N 1 0 393.491 3.987 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cnn1C1CCCCC1 ZINC000329699002 862102582 /nfs/dbraw/zinc/10/25/82/862102582.db2.gz FXZXARYXVCIMBP-UHFFFAOYSA-N 1 0 387.572 3.560 20 30 GHEDRO Cc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000424085068 850206365 /nfs/dbraw/zinc/20/63/65/850206365.db2.gz YXLKZXVPROMBAY-ZDUSSCGKSA-N 1 0 399.804 3.813 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000424133676 850261319 /nfs/dbraw/zinc/26/13/19/850261319.db2.gz XTVADYJWAHRCBG-ZWKOTPCHSA-N 1 0 377.822 3.845 20 30 GHEDRO C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC000522588571 862110490 /nfs/dbraw/zinc/11/04/90/862110490.db2.gz SLAICMFRSLYAPJ-QGZVFWFLSA-N 1 0 381.476 3.582 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000518889712 850283053 /nfs/dbraw/zinc/28/30/53/850283053.db2.gz INXREVJSDVILMX-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424220723 850295964 /nfs/dbraw/zinc/29/59/64/850295964.db2.gz JAYBBKCKNBVNEC-PZJWPPBQSA-N 1 0 388.519 3.560 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000424238225 850305443 /nfs/dbraw/zinc/30/54/43/850305443.db2.gz GQGLGDADFCJUJI-ZWKOTPCHSA-N 1 0 375.586 3.735 20 30 GHEDRO N#CCCOCC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000514847837 850377854 /nfs/dbraw/zinc/37/78/54/850377854.db2.gz OEGOVUNHFYUXQO-UHFFFAOYSA-N 1 0 380.488 3.791 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000174561491 850438111 /nfs/dbraw/zinc/43/81/11/850438111.db2.gz OMBKCYUSDGAEAF-UHFFFAOYSA-N 1 0 379.441 3.579 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1C#N ZINC000514928425 850496990 /nfs/dbraw/zinc/49/69/90/850496990.db2.gz UYUPMUHLMDHOJS-INIZCTEOSA-N 1 0 377.366 3.634 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180428814 862135014 /nfs/dbraw/zinc/13/50/14/862135014.db2.gz FLHWWMWQCBSGQY-AWEZNQCLSA-N 1 0 386.839 3.846 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000505059709 850560890 /nfs/dbraw/zinc/56/08/90/850560890.db2.gz ATOMTZYFQXYFEP-QHCPKHFHSA-N 1 0 379.504 3.564 20 30 GHEDRO CCCc1c(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000487237134 850605359 /nfs/dbraw/zinc/60/53/59/850605359.db2.gz XDOCSJFSDYNWGH-OAQYLSRUSA-N 1 0 394.523 3.500 20 30 GHEDRO Cc1cc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1F ZINC000435515296 850623434 /nfs/dbraw/zinc/62/34/34/850623434.db2.gz GEVGNDLOVNYFFA-QGZVFWFLSA-N 1 0 382.483 3.840 20 30 GHEDRO Cc1nsc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C#N ZINC000519101873 850626674 /nfs/dbraw/zinc/62/66/74/850626674.db2.gz KAZKUINFJNOYFO-OAQYLSRUSA-N 1 0 395.532 3.843 20 30 GHEDRO C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000424765134 850682923 /nfs/dbraw/zinc/68/29/23/850682923.db2.gz ILLPFKYANPONKU-UHFFFAOYSA-N 1 0 379.932 3.952 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000425405841 850803882 /nfs/dbraw/zinc/80/38/82/850803882.db2.gz ODXDQZZLWVCLGV-VFSLUADLSA-N 1 0 385.552 3.555 20 30 GHEDRO C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262008428 850889926 /nfs/dbraw/zinc/88/99/26/850889926.db2.gz WBOZFAWRUKSPTP-YWZLYKJASA-N 1 0 398.942 3.719 20 30 GHEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000515415042 850993326 /nfs/dbraw/zinc/99/33/26/850993326.db2.gz NNRWFIVWHJOFPT-SFHVURJKSA-N 1 0 376.909 3.596 20 30 GHEDRO [NH2+]=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000262009435 851103898 /nfs/dbraw/zinc/10/38/98/851103898.db2.gz SSAUEWNNXWCISZ-UHFFFAOYSA-N 1 0 383.345 3.933 20 30 GHEDRO Cc1ccn(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)n1 ZINC000434496094 851201193 /nfs/dbraw/zinc/20/11/93/851201193.db2.gz FOSHFPFAWJUBKY-FQEVSTJZSA-N 1 0 393.535 3.781 20 30 GHEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2cccc(C#Cc3cccs3)c2)C[C@@H](C)O1 ZINC000043996299 851223829 /nfs/dbraw/zinc/22/38/29/851223829.db2.gz DSTKZMBADXDCGL-QZTJIDSGSA-N 1 0 397.544 3.769 20 30 GHEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)c(C)c3)CC2)cs1 ZINC000488226623 851290383 /nfs/dbraw/zinc/29/03/83/851290383.db2.gz VVLJRXOGRNKMQE-KRWDZBQOSA-N 1 0 384.549 3.739 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000668837685 851331330 /nfs/dbraw/zinc/33/13/30/851331330.db2.gz KQYOEMVSJMCRSA-CZTZKLFOSA-N 1 0 397.563 3.579 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000515726064 851398347 /nfs/dbraw/zinc/39/83/47/851398347.db2.gz MNUOAHXEBHHAJE-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1OC ZINC000430105420 851557688 /nfs/dbraw/zinc/55/76/88/851557688.db2.gz LDLKEKUDPHBXHL-QHCPKHFHSA-N 1 0 381.472 3.577 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000505812029 851581646 /nfs/dbraw/zinc/58/16/46/851581646.db2.gz LJFVAPVLOLJQTN-LJQANCHMSA-N 1 0 397.544 3.759 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000111303516 851615541 /nfs/dbraw/zinc/61/55/41/851615541.db2.gz TYZNGMLOKQFWCZ-MRXNPFEDSA-N 1 0 375.538 3.504 20 30 GHEDRO Cc1cc(CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc(N2CCCC2)n1 ZINC000425552591 851633039 /nfs/dbraw/zinc/63/30/39/851633039.db2.gz QQCOTGSKBIQOLK-QGZVFWFLSA-N 1 0 377.492 3.765 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC#Cc1ccccc1 ZINC000061660935 862277067 /nfs/dbraw/zinc/27/70/67/862277067.db2.gz KRFCBMMVFQHYPY-HXUWFJFHSA-N 1 0 375.516 3.912 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000517399924 851921850 /nfs/dbraw/zinc/92/18/50/851921850.db2.gz YXKKIXYFLUAEKK-IAGOWNOFSA-N 1 0 381.476 3.723 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000329764166 862303279 /nfs/dbraw/zinc/30/32/79/862303279.db2.gz VKZLGKFNPMSKEO-HIIPRHFZSA-N 1 0 385.552 3.607 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000489184939 852099428 /nfs/dbraw/zinc/09/94/28/852099428.db2.gz MJPNGLAWALVNMP-KNQAVFIVSA-N 1 0 375.472 3.552 20 30 GHEDRO COc1cccc([C@@H](O)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000111393925 852107480 /nfs/dbraw/zinc/10/74/80/852107480.db2.gz IEVLNFBRCCDMBN-DEOSSOPVSA-N 1 0 388.467 3.969 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000108514872 852199417 /nfs/dbraw/zinc/19/94/17/852199417.db2.gz ROQAHASFCBKZPX-SFHVURJKSA-N 1 0 396.466 3.740 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505868653 852227173 /nfs/dbraw/zinc/22/71/73/852227173.db2.gz IKDVQVJQOBEZBB-RBUKOAKNSA-N 1 0 395.478 3.862 20 30 GHEDRO CCOc1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c2ncccc12 ZINC000329818857 862342989 /nfs/dbraw/zinc/34/29/89/862342989.db2.gz FVPIFYSBIQGPLZ-KRWDZBQOSA-N 1 0 382.508 3.843 20 30 GHEDRO Cc1cc(C)n(-c2ccccc2CNC(NC(C)(C)C)=[NH+]C[C@H]2CCCO2)n1 ZINC000912508795 852313160 /nfs/dbraw/zinc/31/31/60/852313160.db2.gz QMGMVLHDKDNMEC-LJQANCHMSA-N 1 0 383.540 3.502 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000517739613 852326999 /nfs/dbraw/zinc/32/69/99/852326999.db2.gz LUXIICXMMLJHHM-IXDOHACOSA-N 1 0 395.469 3.723 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481822504 862349265 /nfs/dbraw/zinc/34/92/65/862349265.db2.gz GYMGAWMTSVBPKN-GOSISDBHSA-N 1 0 382.529 3.822 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000150782533 852382597 /nfs/dbraw/zinc/38/25/97/852382597.db2.gz PCFRCZAVNMOYID-IBGZPJMESA-N 1 0 393.487 3.821 20 30 GHEDRO O=C(NCC#Cc1cccc(F)c1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517792523 852414987 /nfs/dbraw/zinc/41/49/87/852414987.db2.gz WJGRBEZAQYPFLM-QFIPXVFZSA-N 1 0 393.506 3.779 20 30 GHEDRO CC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 ZINC000438483074 852461264 /nfs/dbraw/zinc/46/12/64/852461264.db2.gz MJHARVDEBMRUAI-KRWDZBQOSA-N 1 0 382.483 3.834 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)c2cc(Cl)ccc2OC)CC1 ZINC000425662607 852560216 /nfs/dbraw/zinc/56/02/16/852560216.db2.gz IZRBSQGJPKEXHS-UHFFFAOYSA-N 1 0 379.932 3.923 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000438549164 852561643 /nfs/dbraw/zinc/56/16/43/852561643.db2.gz YWFZEKCJNCQVRL-NLMOZGTASA-N 1 0 382.552 3.718 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)[C@@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC001270152923 852600888 /nfs/dbraw/zinc/60/08/88/852600888.db2.gz BVNWSEROVDCEKT-UGKGYDQZSA-N 1 0 391.515 3.815 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000329853252 862374887 /nfs/dbraw/zinc/37/48/87/862374887.db2.gz VIOUIJMKUQVUSZ-KGLIPLIRSA-N 1 0 396.457 3.882 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000555996157 862378515 /nfs/dbraw/zinc/37/85/15/862378515.db2.gz FCFNAMJMEFFOCW-MOPGFXCFSA-N 1 0 385.552 3.538 20 30 GHEDRO CCN1CCC([NH+]2CCC(C(=O)Nc3cccc(OCCCC#N)c3)CC2)CC1 ZINC000516582956 852753385 /nfs/dbraw/zinc/75/33/85/852753385.db2.gz XKENRPYHYFPCKP-UHFFFAOYSA-N 1 0 398.551 3.504 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC000669033719 852785560 /nfs/dbraw/zinc/78/55/60/852785560.db2.gz WZLZZPJBOXIKMC-UXHICEINSA-N 1 0 399.514 3.554 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000505980392 852798624 /nfs/dbraw/zinc/79/86/24/852798624.db2.gz BBFSRRFTFNZGQA-OALUTQOASA-N 1 0 387.405 3.664 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000516659827 852831102 /nfs/dbraw/zinc/83/11/02/852831102.db2.gz OCCZQOOVRYATKM-CVEARBPZSA-N 1 0 397.548 3.847 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCOc4ccc(F)cc43)c2)CC1 ZINC000329905728 862412036 /nfs/dbraw/zinc/41/20/36/862412036.db2.gz AWUILVGELYOSNH-HXUWFJFHSA-N 1 0 398.482 3.627 20 30 GHEDRO CC(C)(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(F)cc(C#N)c1 ZINC000506027278 852994712 /nfs/dbraw/zinc/99/47/12/852994712.db2.gz PENXLWYFTIWHSL-SFHVURJKSA-N 1 0 385.508 3.990 20 30 GHEDRO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000490547912 853083623 /nfs/dbraw/zinc/08/36/23/853083623.db2.gz RWGXMKRTCWQMSZ-CEMLEFRQSA-N 1 0 378.520 3.984 20 30 GHEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000329927697 862431266 /nfs/dbraw/zinc/43/12/66/862431266.db2.gz XDJPSXGFSHRUFD-QZTJIDSGSA-N 1 0 393.535 3.939 20 30 GHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000516922768 853159369 /nfs/dbraw/zinc/15/93/69/853159369.db2.gz QGROFXLEXWTDCZ-CQSZACIVSA-N 1 0 396.434 3.572 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 ZINC000507663147 853163693 /nfs/dbraw/zinc/16/36/93/853163693.db2.gz ABRSXKPWTZNOKK-UHFFFAOYSA-N 1 0 379.479 3.887 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)Cc3c(F)cccc3C#N)c2)CC1 ZINC000509186342 862441459 /nfs/dbraw/zinc/44/14/59/862441459.db2.gz RMSGFDCYSWCSRH-UHFFFAOYSA-N 1 0 379.479 3.788 20 30 GHEDRO C[NH+](C)C1(C)CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000913398315 853314096 /nfs/dbraw/zinc/31/40/96/853314096.db2.gz XJQYTSOPXSSSFL-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000506497334 853366617 /nfs/dbraw/zinc/36/66/17/853366617.db2.gz WPTYQFMVZMVSIM-UHFFFAOYSA-N 1 0 385.895 3.862 20 30 GHEDRO CC[NH+]=C(NCc1cccnc1Oc1cccc(F)c1)N1CC[C@]2(CCOC2)C1 ZINC000261981337 853432274 /nfs/dbraw/zinc/43/22/74/853432274.db2.gz OXRJQRNHSPSNDX-QFIPXVFZSA-N 1 0 398.482 3.591 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000329968711 862465787 /nfs/dbraw/zinc/46/57/87/862465787.db2.gz WEBQTBJWYGYJDS-UHFFFAOYSA-N 1 0 385.464 3.539 20 30 GHEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000491168751 853478974 /nfs/dbraw/zinc/47/89/74/853478974.db2.gz UBKSNROOPJKSEC-UHFFFAOYSA-N 1 0 390.487 3.998 20 30 GHEDRO CC(C)C(=O)N1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 ZINC000329972398 862469603 /nfs/dbraw/zinc/46/96/03/862469603.db2.gz ZAAQVCGFTHSRND-IRXDYDNUSA-N 1 0 395.544 3.512 20 30 GHEDRO [NH3+]CC[C@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)F ZINC000414991302 853488178 /nfs/dbraw/zinc/48/81/78/853488178.db2.gz PECNZJDJHFUDDV-CMPLNLGQSA-N 1 0 380.279 3.631 20 30 GHEDRO O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329976777 862472375 /nfs/dbraw/zinc/47/23/75/862472375.db2.gz ZAGUZEAUVUGPBH-ZBFHGGJFSA-N 1 0 393.413 3.844 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 ZINC000586776227 853517689 /nfs/dbraw/zinc/51/76/89/853517689.db2.gz RTOUZKRFVJGSDG-UHFFFAOYSA-N 1 0 383.467 3.944 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000586776493 853518428 /nfs/dbraw/zinc/51/84/28/853518428.db2.gz UDPBLDJHTXEWMB-GNLZIIPMSA-N 1 0 376.500 3.760 20 30 GHEDRO N#Cc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1C(F)(F)F ZINC000519851629 853546031 /nfs/dbraw/zinc/54/60/31/853546031.db2.gz QJRAZSDAXXHGIN-SJORKVTESA-N 1 0 386.421 3.930 20 30 GHEDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000519917703 853607658 /nfs/dbraw/zinc/60/76/58/853607658.db2.gz FFDVYPSZFGMYGB-SFHVURJKSA-N 1 0 389.293 3.583 20 30 GHEDRO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000518709421 853671660 /nfs/dbraw/zinc/67/16/60/853671660.db2.gz WZIWAINVLFQCCP-IRLDBZIGSA-N 1 0 390.531 3.972 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000055157531 853683327 /nfs/dbraw/zinc/68/33/27/853683327.db2.gz XXASQPMGMATYNP-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCCOCc1ccccc1 ZINC000439475553 853688475 /nfs/dbraw/zinc/68/84/75/853688475.db2.gz XKUVRIRPSXEGIK-INIZCTEOSA-N 1 0 397.544 3.974 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000517351224 853697351 /nfs/dbraw/zinc/69/73/51/853697351.db2.gz JMYOZJMJAYHDFO-VQTJNVASSA-N 1 0 379.435 3.846 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000571095901 853740861 /nfs/dbraw/zinc/74/08/61/853740861.db2.gz FHKKRCOWDOLHOC-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO Cc1ccc(CCC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc1 ZINC000520172987 853914713 /nfs/dbraw/zinc/91/47/13/853914713.db2.gz ASVGHABPNOFCNM-UHFFFAOYSA-N 1 0 375.516 3.828 20 30 GHEDRO N#CC1CCC(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000441150994 853950515 /nfs/dbraw/zinc/95/05/15/853950515.db2.gz SSPGQZFKIQGXIK-LBXVMSDZSA-N 1 0 393.453 3.887 20 30 GHEDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481919488 862518116 /nfs/dbraw/zinc/51/81/16/862518116.db2.gz SKPYMQSSEOKRMC-JOCHJYFZSA-N 1 0 397.544 3.802 20 30 GHEDRO COc1cc2c(c(OC)c1OC)CCN(CC#Cc1ccccc1Cl)CC2 ZINC000441171234 853992471 /nfs/dbraw/zinc/99/24/71/853992471.db2.gz UNJCYMWMISVDEA-UHFFFAOYSA-N 1 0 385.891 3.818 20 30 GHEDRO N#Cc1cc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(N)c1[N+](=O)[O-] ZINC000588015874 854077674 /nfs/dbraw/zinc/07/76/74/854077674.db2.gz DCXCJFHNIZYVDN-NBHGPNQESA-N 1 0 391.475 3.761 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)nc1 ZINC000520333810 854091145 /nfs/dbraw/zinc/09/11/45/854091145.db2.gz DCLZOEQXFREUEU-OAQYLSRUSA-N 1 0 398.466 3.750 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000520369250 854123852 /nfs/dbraw/zinc/12/38/52/854123852.db2.gz KCOUCWKLPJRFLP-IBGZPJMESA-N 1 0 378.476 3.567 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000520421453 854191294 /nfs/dbraw/zinc/19/12/94/854191294.db2.gz XKNRWHCXCUTYOP-GGPKGHCWSA-N 1 0 399.535 3.590 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(-n2ccnn2)c1 ZINC000588230229 854224855 /nfs/dbraw/zinc/22/48/55/854224855.db2.gz KBSACAIUIGPFHF-YLZJTPGZSA-N 1 0 388.475 3.575 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588235548 854226781 /nfs/dbraw/zinc/22/67/81/854226781.db2.gz HYDCECSJXBNFNV-APWZRJJASA-N 1 0 391.475 3.836 20 30 GHEDRO N#Cc1ccc(CC(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)cn1 ZINC000894990352 854346321 /nfs/dbraw/zinc/34/63/21/854346321.db2.gz FNVDRMUHKQQLDQ-UHFFFAOYSA-N 1 0 388.393 3.749 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000328712366 854518581 /nfs/dbraw/zinc/51/85/81/854518581.db2.gz BORVKGPDZDSTFN-OAHLLOKOSA-N 1 0 375.513 3.503 20 30 GHEDRO C=CC[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000604894764 862575028 /nfs/dbraw/zinc/57/50/28/862575028.db2.gz HVYJCABMUCTZGH-HXUWFJFHSA-N 1 0 392.547 3.773 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@]2(CCCOC2)O1 ZINC000330101493 862575685 /nfs/dbraw/zinc/57/56/85/862575685.db2.gz FNEKKDLXSGONKF-RDTXWAMCSA-N 1 0 386.414 3.953 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000156959577 854536444 /nfs/dbraw/zinc/53/64/44/854536444.db2.gz VPGAOQGROPWKRW-UHFFFAOYSA-N 1 0 391.515 3.729 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000328732425 854540735 /nfs/dbraw/zinc/54/07/35/854540735.db2.gz JBMSSEQBRSGHFH-OHFALNGGSA-N 1 0 377.554 3.871 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000328734918 854541575 /nfs/dbraw/zinc/54/15/75/854541575.db2.gz KKDCJZZRCGBLFX-BIENJYKASA-N 1 0 391.924 3.852 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000588841492 854543279 /nfs/dbraw/zinc/54/32/79/854543279.db2.gz YBAXIXHXWJAHBW-UHFFFAOYSA-N 1 0 388.496 3.547 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccco1 ZINC000671765142 854547193 /nfs/dbraw/zinc/54/71/93/854547193.db2.gz YMGKTKDUAUBCBP-JKSUJKDBSA-N 1 0 380.535 3.649 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCC3CCC(F)(F)CC3)cc2)CC1 ZINC000328899851 854601230 /nfs/dbraw/zinc/60/12/30/854601230.db2.gz XSRXWDRFLLVPMQ-UHFFFAOYSA-N 1 0 395.494 3.989 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000588994197 854632686 /nfs/dbraw/zinc/63/26/86/854632686.db2.gz KFGUATLRURLVSQ-ZDUSSCGKSA-N 1 0 386.418 3.741 20 30 GHEDRO CCC1(CNC(=O)c2cc(O)cc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000589196037 854742064 /nfs/dbraw/zinc/74/20/64/854742064.db2.gz XQJSVGJMEACDIK-UHFFFAOYSA-N 1 0 377.488 3.686 20 30 GHEDRO Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1NC(=O)NC(C)(C)C ZINC000330729582 854750564 /nfs/dbraw/zinc/75/05/64/854750564.db2.gz HLKBYPWSTUIBCR-INIZCTEOSA-N 1 0 388.556 3.731 20 30 GHEDRO COc1cc(C)c(Br)cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000330916782 854785810 /nfs/dbraw/zinc/78/58/10/854785810.db2.gz LHTCDYDKSIOAFR-LBPRGKRZSA-N 1 0 382.302 3.742 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccc(C(F)(F)F)cc3)C1=O)CC2 ZINC000589342271 854799025 /nfs/dbraw/zinc/79/90/25/854799025.db2.gz FVUCZIUMRUMOIY-RTBURBONSA-N 1 0 385.389 3.959 20 30 GHEDRO N#Cc1cnn2c1NC[C@@H](C[NH2+][C@@H]1CCOc3c(-c4ccccc4)cccc31)C2 ZINC000520445408 854816211 /nfs/dbraw/zinc/81/62/11/854816211.db2.gz ADSIUBHNQJLGTL-IIBYNOLFSA-N 1 0 385.471 3.577 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000330140898 862608947 /nfs/dbraw/zinc/60/89/47/862608947.db2.gz XGLJDWMAKDLWBE-HXUWFJFHSA-N 1 0 386.540 3.759 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2cccnc12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330162898 862625527 /nfs/dbraw/zinc/62/55/27/862625527.db2.gz UXILICGPVCOLMI-UKRRQHHQSA-N 1 0 376.407 3.789 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000553435647 855020441 /nfs/dbraw/zinc/02/04/41/855020441.db2.gz KWXCCCFNGAELDT-XMSQKQJNSA-N 1 0 389.499 3.836 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC000669335916 855040130 /nfs/dbraw/zinc/04/01/30/855040130.db2.gz ZUSBDEZPMWZOBK-DBVUQKKJSA-N 1 0 399.514 3.726 20 30 GHEDRO Cc1ccc(-c2csc(NC(=O)CN3CCS[C@H]4COCC[C@@H]43)n2)cc1 ZINC000330172957 862634066 /nfs/dbraw/zinc/63/40/66/862634066.db2.gz GXQCXQHLGQKSQK-IRXDYDNUSA-N 1 0 389.546 3.913 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(C3CCOCC3)CC1)CCC2 ZINC000153515179 855049863 /nfs/dbraw/zinc/04/98/63/855049863.db2.gz GOIOUNPIQROVSR-UHFFFAOYSA-N 1 0 387.549 3.576 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000056796617 855053829 /nfs/dbraw/zinc/05/38/29/855053829.db2.gz KFQMCKZTQRHKKZ-NRFANRHFSA-N 1 0 379.504 3.667 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)C(C)C ZINC000589757548 855143178 /nfs/dbraw/zinc/14/31/78/855143178.db2.gz HLROITQSCLFNNH-LEWJYISDSA-N 1 0 389.515 3.607 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000106035760 855170986 /nfs/dbraw/zinc/17/09/86/855170986.db2.gz AAUXFXAMEMVPEG-QZTJIDSGSA-N 1 0 377.326 3.709 20 30 GHEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000330198605 862655588 /nfs/dbraw/zinc/65/55/88/862655588.db2.gz UICXKQDMWFHTPL-UKRRQHHQSA-N 1 0 388.418 3.866 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000057174896 855258189 /nfs/dbraw/zinc/25/81/89/855258189.db2.gz JVEMZKSNORPIHQ-UHFFFAOYSA-N 1 0 387.483 3.615 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@H]1CCC1CCCC1 ZINC000330210488 862665054 /nfs/dbraw/zinc/66/50/54/862665054.db2.gz CJYWIUSZRRISJO-HBMCJLEFSA-N 1 0 377.573 3.713 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000590228879 855341401 /nfs/dbraw/zinc/34/14/01/855341401.db2.gz DZZJBJFLGQWUJV-UHFFFAOYSA-N 1 0 392.381 3.555 20 30 GHEDRO CN(C(=O)C(F)(F)c1ccccc1C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909438350 855547568 /nfs/dbraw/zinc/54/75/68/855547568.db2.gz IXPFOAJBTSRSBC-UHFFFAOYSA-N 1 0 389.368 3.525 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401308 855637592 /nfs/dbraw/zinc/63/75/92/855637592.db2.gz JTQDTAHPDYPSAB-JXFKEZNVSA-N 1 0 376.928 3.675 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000590926888 855657280 /nfs/dbraw/zinc/65/72/80/855657280.db2.gz YPGCBSYZUHITOK-HZPDHXFCSA-N 1 0 382.508 3.924 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000590939638 855664690 /nfs/dbraw/zinc/66/46/90/855664690.db2.gz JPVOPUHCCUGFJE-NHCUHLMSSA-N 1 0 394.544 3.870 20 30 GHEDRO Cc1cccc(C[NH+]2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)c1 ZINC000301378831 855681740 /nfs/dbraw/zinc/68/17/40/855681740.db2.gz YXTMPYSJOXHNCA-UHFFFAOYSA-N 1 0 387.443 3.645 20 30 GHEDRO CC(C)c1noc([C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C2CCOCC2)n1 ZINC000330279528 862716139 /nfs/dbraw/zinc/71/61/39/862716139.db2.gz RFIUDCOUJQYCIG-DOTOQJQBSA-N 1 0 378.517 3.882 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302029119 855802550 /nfs/dbraw/zinc/80/25/50/855802550.db2.gz BCHMPWHKSFJZPQ-QGZVFWFLSA-N 1 0 390.409 3.541 20 30 GHEDRO N#Cc1c(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc2ccccn12 ZINC000302075888 855812423 /nfs/dbraw/zinc/81/24/23/855812423.db2.gz HCGCYQPCEKQAIV-MRXNPFEDSA-N 1 0 385.393 3.911 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(CNc3cc(C#N)ccc3C(C)=O)cc2)CC1 ZINC000302083878 855813223 /nfs/dbraw/zinc/81/32/23/855813223.db2.gz DFVVIELWZPFOGQ-UHFFFAOYSA-N 1 0 376.504 3.510 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000192661034 855833576 /nfs/dbraw/zinc/83/35/76/855833576.db2.gz GPPDRDSJAJPFSX-UONOGXRCSA-N 1 0 378.314 3.831 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3cc(C#N)ccc3[N+](=O)[O-])cc2F)CC1 ZINC000302218432 855839822 /nfs/dbraw/zinc/83/98/22/855839822.db2.gz QPEXLWYCPVYHAM-UHFFFAOYSA-N 1 0 383.427 3.880 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N(C)C ZINC000573101207 855865837 /nfs/dbraw/zinc/86/58/37/855865837.db2.gz PRVCLGVRXFOPBR-RTWAWAEBSA-N 1 0 377.488 3.753 20 30 GHEDRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000057958464 855875671 /nfs/dbraw/zinc/87/56/71/855875671.db2.gz MGJUETJHBUNMNV-KRWDZBQOSA-N 1 0 394.544 3.589 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591284919 855884053 /nfs/dbraw/zinc/88/40/53/855884053.db2.gz YHXFFYONZHZQAP-KNQAVFIVSA-N 1 0 390.487 3.661 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591284916 855884159 /nfs/dbraw/zinc/88/41/59/855884159.db2.gz YDGZGJSBGOFIGX-IBGZPJMESA-N 1 0 378.476 3.709 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC000591343775 855897973 /nfs/dbraw/zinc/89/79/73/855897973.db2.gz NBGWTWZZRWDRSV-HXUWFJFHSA-N 1 0 391.519 3.671 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000591306352 855901827 /nfs/dbraw/zinc/90/18/27/855901827.db2.gz SGAVAKLACPFTEI-FUHWJXTLSA-N 1 0 394.523 3.633 20 30 GHEDRO C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC000655633186 855928630 /nfs/dbraw/zinc/92/86/30/855928630.db2.gz FQEOQEVMHMRRBC-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591356580 855950287 /nfs/dbraw/zinc/95/02/87/855950287.db2.gz AGDQBINMAOMZRC-ZWKOTPCHSA-N 1 0 376.504 3.975 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CCC2)c(OC)c1 ZINC000591375542 855957071 /nfs/dbraw/zinc/95/70/71/855957071.db2.gz HHQIBCKZDUEVCT-FQEVSTJZSA-N 1 0 385.479 3.972 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)n1-c1ccc(C#N)cc1 ZINC000157310787 856019716 /nfs/dbraw/zinc/01/97/16/856019716.db2.gz BPFQMWUAOXAWOF-SIKLNZKXSA-N 1 0 376.504 3.522 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000108820240 856025366 /nfs/dbraw/zinc/02/53/66/856025366.db2.gz ZCZHYUXGOXQAOE-ZEYPLWLESA-N 1 0 391.515 3.913 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000520697787 856047344 /nfs/dbraw/zinc/04/73/44/856047344.db2.gz SGTFTFXJVSSTQR-IBGZPJMESA-N 1 0 387.524 3.797 20 30 GHEDRO CCOc1ccccc1NC(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800377 856047819 /nfs/dbraw/zinc/04/78/19/856047819.db2.gz AKCCHGLMKQGYSO-QGZVFWFLSA-N 1 0 393.487 3.827 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000591764205 856230407 /nfs/dbraw/zinc/23/04/07/856230407.db2.gz WNWKLHOPJANKSU-QFBILLFUSA-N 1 0 376.378 3.594 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000485232181 856238720 /nfs/dbraw/zinc/23/87/20/856238720.db2.gz PXRFFCDAQPVEIA-HXUWFJFHSA-N 1 0 393.487 3.639 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000171714896 856241343 /nfs/dbraw/zinc/24/13/43/856241343.db2.gz SDLIKAHLHZHFPT-UHFFFAOYSA-N 1 0 379.291 3.559 20 30 GHEDRO N#CCOc1ccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000171769258 862773466 /nfs/dbraw/zinc/77/34/66/862773466.db2.gz PRKCDYZCSLYPGG-UHFFFAOYSA-N 1 0 385.261 3.917 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000171733048 856246310 /nfs/dbraw/zinc/24/63/10/856246310.db2.gz VUHWGSQJACEYFT-UHFFFAOYSA-N 1 0 394.357 3.720 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)Cc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000109345006 856279986 /nfs/dbraw/zinc/27/99/86/856279986.db2.gz SQTWNVUIZGMFRW-GOSISDBHSA-N 1 0 397.544 3.641 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1Cl ZINC000591765771 856289921 /nfs/dbraw/zinc/28/99/21/856289921.db2.gz GVNKGRAYMLYYOZ-HNNXBMFYSA-N 1 0 384.785 3.760 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)NC3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000172200009 856368137 /nfs/dbraw/zinc/36/81/37/856368137.db2.gz DYVKTTTUXIAZQJ-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)c2)cc1 ZINC000172207548 856371292 /nfs/dbraw/zinc/37/12/92/856371292.db2.gz LTOGKYVGDSAALO-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1sccc1C#N ZINC000109818804 856375412 /nfs/dbraw/zinc/37/54/12/856375412.db2.gz ZAFLKVGXJWCOBI-UHFFFAOYSA-N 1 0 392.322 3.932 20 30 GHEDRO COc1ccc2ncc(C#N)c(NC3CC[NH+]([C@H](C)c4ccncc4)CC3)c2c1 ZINC000591924269 856402160 /nfs/dbraw/zinc/40/21/60/856402160.db2.gz FJVLSKYHOBYLEB-MRXNPFEDSA-N 1 0 387.487 3.569 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000619756539 856409564 /nfs/dbraw/zinc/40/95/64/856409564.db2.gz AAISYCUOLYOMSD-IBGZPJMESA-N 1 0 382.895 3.675 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000765928028 856411089 /nfs/dbraw/zinc/41/10/89/856411089.db2.gz KDMUAYFOSLJJEZ-AEFFLSMTSA-N 1 0 399.922 3.846 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624836075 856447556 /nfs/dbraw/zinc/44/75/56/856447556.db2.gz BRJNDQQGEDMNBA-HLAWJBBLSA-N 1 0 395.551 3.662 20 30 GHEDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507824552 856461309 /nfs/dbraw/zinc/46/13/09/856461309.db2.gz OPVWPEQXRGICAJ-IBGZPJMESA-N 1 0 391.515 3.757 20 30 GHEDRO CCOC(=O)N1CCC([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000186429594 856496182 /nfs/dbraw/zinc/49/61/82/856496182.db2.gz WLCGFXABYOJSGN-HNNXBMFYSA-N 1 0 398.425 3.783 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000507850482 856563677 /nfs/dbraw/zinc/56/36/77/856563677.db2.gz JSHHRVMWHRCMKP-UHFFFAOYSA-N 1 0 381.432 3.779 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1)CC1CC1 ZINC000507881271 856623181 /nfs/dbraw/zinc/62/31/81/856623181.db2.gz SZURFOBEADONAH-UHFFFAOYSA-N 1 0 392.551 3.692 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000110670328 856632965 /nfs/dbraw/zinc/63/29/65/856632965.db2.gz FEQLMJNBYPFPDG-UHFFFAOYSA-N 1 0 383.536 3.878 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000592068651 856650797 /nfs/dbraw/zinc/65/07/97/856650797.db2.gz NDFKAMSQTXLPHW-UHFFFAOYSA-N 1 0 386.499 3.920 20 30 GHEDRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592154557 856678396 /nfs/dbraw/zinc/67/83/96/856678396.db2.gz UCOGQMTYWGRYFZ-QGZVFWFLSA-N 1 0 381.423 3.988 20 30 GHEDRO CCOc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000058397128 856747709 /nfs/dbraw/zinc/74/77/09/856747709.db2.gz MEPKWGFUAIHGNN-UHFFFAOYSA-N 1 0 379.504 3.826 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](O)[C@@H]3CCc3ccccc3)o2)cc1 ZINC000592166190 856766050 /nfs/dbraw/zinc/76/60/50/856766050.db2.gz HYEPCDPMEUJXAR-LEWJYISDSA-N 1 0 388.471 3.566 20 30 GHEDRO Cc1ccc(N2CCC(NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)nc1 ZINC000173183505 856799599 /nfs/dbraw/zinc/79/95/99/856799599.db2.gz MBIJSNSNTVSBPR-UHFFFAOYSA-N 1 0 380.496 3.609 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000605153857 862841400 /nfs/dbraw/zinc/84/14/00/862841400.db2.gz CWCOKEOIFDKYHO-NZQKXSOJSA-N 1 0 399.556 3.954 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427907609 856864259 /nfs/dbraw/zinc/86/42/59/856864259.db2.gz VKZYXYAJOVSHMT-KMDXXIMOSA-N 1 0 387.527 3.739 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CC)Cc2cccc(Br)c2)CC1 ZINC000592524174 856900937 /nfs/dbraw/zinc/90/09/37/856900937.db2.gz RXWPKRGDCHWHBU-UHFFFAOYSA-N 1 0 380.330 3.631 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)c1occc1COc1cccc(C#N)c1)C(C)C ZINC000173611754 857023723 /nfs/dbraw/zinc/02/37/23/857023723.db2.gz BRAMZBOVLBWVJW-UHFFFAOYSA-N 1 0 383.492 3.969 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000063693300 857035770 /nfs/dbraw/zinc/03/57/70/857035770.db2.gz OJMNPRINDVFGDW-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000592772594 857060946 /nfs/dbraw/zinc/06/09/46/857060946.db2.gz MHRARZNAHQVPPZ-PTUXOGIPSA-N 1 0 375.516 3.786 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000485871589 857173395 /nfs/dbraw/zinc/17/33/95/857173395.db2.gz QACNWGUTFMIFKD-ZLNRFVROSA-N 1 0 394.540 3.990 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000281222745 862894107 /nfs/dbraw/zinc/89/41/07/862894107.db2.gz DNRLKXHJCHRNFS-UHFFFAOYSA-N 1 0 396.428 3.838 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000921962092 857329268 /nfs/dbraw/zinc/32/92/68/857329268.db2.gz WCEJRQMHVOVWFI-REWPJTCUSA-N 1 0 388.515 3.682 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc(Br)cc1C#N ZINC000486003610 857340006 /nfs/dbraw/zinc/34/00/06/857340006.db2.gz KEVKWRQIOOLHML-KXBFYZLASA-N 1 0 385.309 3.845 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(C2CCC2)cs1 ZINC000442047550 857474194 /nfs/dbraw/zinc/47/41/94/857474194.db2.gz XYQVFDJVHZXLSD-UHFFFAOYSA-N 1 0 383.521 3.878 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000593278267 857476364 /nfs/dbraw/zinc/47/63/64/857476364.db2.gz ISPNXFSISLQDLM-IBGZPJMESA-N 1 0 395.528 3.661 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521003528 857482477 /nfs/dbraw/zinc/48/24/77/857482477.db2.gz RMQXEJYLXOIZSL-SFHVURJKSA-N 1 0 381.451 3.947 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)NCC2CCC(C#N)CC2)CCOCC1)c1ccccc1 ZINC000442148772 857548882 /nfs/dbraw/zinc/54/88/82/857548882.db2.gz NOOIFMQALRUHED-HDYDNRTBSA-N 1 0 398.551 3.516 20 30 GHEDRO C=C(CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000672681094 857582393 /nfs/dbraw/zinc/58/23/93/857582393.db2.gz AOMNPCAYXHAKEP-NRFANRHFSA-N 1 0 379.504 3.845 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC1(C#N)CCCC1 ZINC000593428462 857585830 /nfs/dbraw/zinc/58/58/30/857585830.db2.gz YCBJDNIYJWUOLS-UHFFFAOYSA-N 1 0 396.457 3.863 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1coc(C2CCCCC2)n1 ZINC000486242868 857589025 /nfs/dbraw/zinc/58/90/25/857589025.db2.gz PGVBWKYWQIJLRB-UHFFFAOYSA-N 1 0 380.492 3.798 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593535807 857615885 /nfs/dbraw/zinc/61/58/85/857615885.db2.gz PUQWJEHNUZVOPQ-PXNSSMCTSA-N 1 0 397.544 3.602 20 30 GHEDRO N#CCC[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C(F)F)c1ccccc1 ZINC000486285357 857618406 /nfs/dbraw/zinc/61/84/06/857618406.db2.gz QVOYPIOLOVNFSI-QGZVFWFLSA-N 1 0 381.386 3.980 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CC1CCC(C#N)CC1)CCO2 ZINC000922096922 857814998 /nfs/dbraw/zinc/81/49/98/857814998.db2.gz OEWZBAOKVASBKK-CTWPCTMYSA-N 1 0 391.556 3.855 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(OC)c1 ZINC000594032367 857846982 /nfs/dbraw/zinc/84/69/82/857846982.db2.gz FIIPOHHTFSYXSL-NRFANRHFSA-N 1 0 392.499 3.704 20 30 GHEDRO CC[C@@H](Oc1ccccc1C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000486627203 857912799 /nfs/dbraw/zinc/91/27/99/857912799.db2.gz UAFXTGQZOJFBFU-JOCHJYFZSA-N 1 0 391.515 3.759 20 30 GHEDRO Cc1sc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1C(C)C ZINC000593885979 862967248 /nfs/dbraw/zinc/96/72/48/862967248.db2.gz MHCCKPBDABYTJC-UHFFFAOYSA-N 1 0 396.560 3.770 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)C1 ZINC001127160442 857976769 /nfs/dbraw/zinc/97/67/69/857976769.db2.gz AQHHXZRLRAKVAO-UUOWRZLLSA-N 1 0 392.547 3.996 20 30 GHEDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[C@H](O)C12CCCC2 ZINC000330333436 862975766 /nfs/dbraw/zinc/97/57/66/862975766.db2.gz PUULKMPQSXNJPS-NRFANRHFSA-N 1 0 385.552 3.856 20 30 GHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000442789512 858135679 /nfs/dbraw/zinc/13/56/79/858135679.db2.gz DVTGSBPKYKVOID-UHFFFAOYSA-N 1 0 389.421 3.804 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000594389087 858146046 /nfs/dbraw/zinc/14/60/46/858146046.db2.gz FGMBRSASYBQPEM-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO Cc1ccc(CN(C(=O)[C@@H]([NH3+])CCCCC#N)c2ccc3c(c2)OCCO3)s1 ZINC000594429397 858174093 /nfs/dbraw/zinc/17/40/93/858174093.db2.gz TUWCPHALAOMXLE-SFHVURJKSA-N 1 0 399.516 3.772 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000159778329 862992581 /nfs/dbraw/zinc/99/25/81/862992581.db2.gz ILVURWLWKAATKM-QFIPXVFZSA-N 1 0 392.503 3.873 20 30 GHEDRO C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)[C@H]([NH3+])CCCCC#N)OCCO3 ZINC000594430353 858175345 /nfs/dbraw/zinc/17/53/45/858175345.db2.gz ZXAHVLMIUWDTLV-QFBILLFUSA-N 1 0 397.519 3.584 20 30 GHEDRO CN(C(=O)Nc1nc(Cl)c(C#N)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000888422631 858177764 /nfs/dbraw/zinc/17/77/64/858177764.db2.gz RUFNGFXKGBFTHV-UHFFFAOYSA-N 1 0 395.838 3.549 20 30 GHEDRO Cc1cccc(C)c1OC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594446847 858179157 /nfs/dbraw/zinc/17/91/57/858179157.db2.gz YEMAXHDQRPVGBZ-RTWAWAEBSA-N 1 0 379.504 3.951 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000594502729 858194212 /nfs/dbraw/zinc/19/42/12/858194212.db2.gz ODLRIANPOSBVRZ-UHFFFAOYSA-N 1 0 386.503 3.514 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594552098 858202963 /nfs/dbraw/zinc/20/29/63/858202963.db2.gz YOYPIDGCSAYPDS-ILWGZMRPSA-N 1 0 382.552 3.545 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594512055 858205185 /nfs/dbraw/zinc/20/51/85/858205185.db2.gz BEVNZMDUZSMUSG-HNNXBMFYSA-N 1 0 378.432 3.853 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000594516370 858206887 /nfs/dbraw/zinc/20/68/87/858206887.db2.gz YSUBOCCCMLOSCM-CVDCTZTESA-N 1 0 377.532 3.867 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000594721460 858263097 /nfs/dbraw/zinc/26/30/97/858263097.db2.gz GUQFZIMYJSNKEY-NRFANRHFSA-N 1 0 397.906 3.680 20 30 GHEDRO CCCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592830523 858296762 /nfs/dbraw/zinc/29/67/62/858296762.db2.gz GRVONMQMNRJDGG-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000594919883 858304947 /nfs/dbraw/zinc/30/49/47/858304947.db2.gz CWDXTEZKGHDOQX-XXBNENTESA-N 1 0 375.516 3.621 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000521779118 858319911 /nfs/dbraw/zinc/31/99/11/858319911.db2.gz GRTQDVPJELXWOY-UHFFFAOYSA-N 1 0 398.551 3.513 20 30 GHEDRO Cc1nn(-c2ccccc2F)cc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594978948 858338375 /nfs/dbraw/zinc/33/83/75/858338375.db2.gz DLBCVBGKTCJISJ-UHFFFAOYSA-N 1 0 390.462 3.987 20 30 GHEDRO COc1cc(C[NH2+]CCc2ccc(C#N)cc2)cc(OC)c1OCC(F)F ZINC000594956569 858343982 /nfs/dbraw/zinc/34/39/82/858343982.db2.gz WXEDRBDVEPRJNI-UHFFFAOYSA-N 1 0 376.403 3.552 20 30 GHEDRO CC(C)(C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@@]1(O)CCCOC1 ZINC000594997353 858361817 /nfs/dbraw/zinc/36/18/17/858361817.db2.gz WCAKVFNZRZWTLX-XMMPIXPASA-N 1 0 394.515 3.795 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(F)c(Br)c3)CC2)nc1 ZINC000067011097 858394850 /nfs/dbraw/zinc/39/48/50/858394850.db2.gz WUSWBDKRLHKMPM-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Br)s3)CC2)nc1 ZINC000067011007 858394914 /nfs/dbraw/zinc/39/49/14/858394914.db2.gz ASTNQSLZCVOGLG-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccccc1C(C)(C)C#N ZINC000487424642 858398554 /nfs/dbraw/zinc/39/85/54/858398554.db2.gz DJUWKZMJYGUKHW-UHFFFAOYSA-N 1 0 376.548 3.742 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC(F)(F)F ZINC000595232106 858447364 /nfs/dbraw/zinc/44/73/64/858447364.db2.gz UGNOOXQVVZDWNS-AWEZNQCLSA-N 1 0 396.413 3.700 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)CC2)cc1 ZINC000595236226 858449088 /nfs/dbraw/zinc/44/90/88/858449088.db2.gz XHYHCTJQIHEPCU-QFIPXVFZSA-N 1 0 388.471 3.540 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000521960398 858487605 /nfs/dbraw/zinc/48/76/05/858487605.db2.gz SKIGSCAIRDSNIL-OAQYLSRUSA-N 1 0 383.467 3.666 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115349921 858501988 /nfs/dbraw/zinc/50/19/88/858501988.db2.gz BLEIWIZPMPGWPJ-NRFANRHFSA-N 1 0 391.515 3.987 20 30 GHEDRO COc1ccc([C@@H](CNc2nc(C(F)(F)F)ccc2C#N)[NH+](C)C)cc1OC ZINC000115515536 858554713 /nfs/dbraw/zinc/55/47/13/858554713.db2.gz SGOUYRXWCHJACF-CQSZACIVSA-N 1 0 394.397 3.704 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595551718 858563993 /nfs/dbraw/zinc/56/39/93/858563993.db2.gz KFKLCFCQZNOVDP-KRWDZBQOSA-N 1 0 393.535 3.549 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)C(C)C ZINC000046905727 858599090 /nfs/dbraw/zinc/59/90/90/858599090.db2.gz DDKOEGKMEMUYHX-LAUBAEHRSA-N 1 0 398.551 3.630 20 30 GHEDRO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c(OC)c1 ZINC000595635449 858625239 /nfs/dbraw/zinc/62/52/39/858625239.db2.gz KVTOGOBHFOCNLA-ZEZYUPADSA-N 1 0 380.488 3.865 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595653155 858637967 /nfs/dbraw/zinc/63/79/67/858637967.db2.gz KBBCFEFBGBZMGY-IFMALSPDSA-N 1 0 380.536 3.957 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1 ZINC000595672318 858643664 /nfs/dbraw/zinc/64/36/64/858643664.db2.gz ZJYZWJDMYNPOQY-OAQYLSRUSA-N 1 0 383.879 3.532 20 30 GHEDRO Cc1cc(C)cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000595762266 858661625 /nfs/dbraw/zinc/66/16/25/858661625.db2.gz RXNVYPZWKUCYJZ-UHFFFAOYSA-N 1 0 376.504 3.593 20 30 GHEDRO CSc1cccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595774141 858673102 /nfs/dbraw/zinc/67/31/02/858673102.db2.gz OZMQBROYYOFJLH-UHFFFAOYSA-N 1 0 381.501 3.514 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595788973 858688931 /nfs/dbraw/zinc/68/89/31/858688931.db2.gz LWHZARAQJKDRNM-DBXWQHBBSA-N 1 0 387.499 3.742 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595829482 858701747 /nfs/dbraw/zinc/70/17/47/858701747.db2.gz IFOBLRUHSNPILW-IFMALSPDSA-N 1 0 380.536 3.624 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ccon3)CC1)CCCC2 ZINC000595831481 858703464 /nfs/dbraw/zinc/70/34/64/858703464.db2.gz CRJDDVOGGQOQLA-UHFFFAOYSA-N 1 0 384.505 3.695 20 30 GHEDRO N#CCCC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000595871173 858720362 /nfs/dbraw/zinc/72/03/62/858720362.db2.gz IQSHQHKDCUEAFE-FCHUYYIVSA-N 1 0 376.504 3.995 20 30 GHEDRO COc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)[NH+](C)C)cc1OC ZINC000596054559 858758700 /nfs/dbraw/zinc/75/87/00/858758700.db2.gz MCAICXULCXCPHR-KRWDZBQOSA-N 1 0 384.436 3.507 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000593139775 858759426 /nfs/dbraw/zinc/75/94/26/858759426.db2.gz DGDPSGOOHOYYTD-UHFFFAOYSA-N 1 0 383.521 3.555 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159050816 858834748 /nfs/dbraw/zinc/83/47/48/858834748.db2.gz DUAXAYIKMFZVSL-MOPGFXCFSA-N 1 0 382.552 3.862 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1Cl ZINC000060090366 858847320 /nfs/dbraw/zinc/84/73/20/858847320.db2.gz NTTUEOJJZKYXEM-SFHVURJKSA-N 1 0 387.867 3.814 20 30 GHEDRO CC1CC[NH+](CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000474086301 858891298 /nfs/dbraw/zinc/89/12/98/858891298.db2.gz DAGPZOHRSHWHLX-UHFFFAOYSA-N 1 0 379.479 3.958 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cnc4c(c3)CCCC4)CC2)c1 ZINC000593178026 858907090 /nfs/dbraw/zinc/90/70/90/858907090.db2.gz LGPGUULDDVGGMQ-UHFFFAOYSA-N 1 0 389.503 3.618 20 30 GHEDRO C[C@H](C1CC1)n1nccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593183388 858914362 /nfs/dbraw/zinc/91/43/62/858914362.db2.gz VHAYXDOXFUOFSK-MRXNPFEDSA-N 1 0 392.507 3.512 20 30 GHEDRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000482864778 858916402 /nfs/dbraw/zinc/91/64/02/858916402.db2.gz XGKBKTUOCSDDEQ-UHFFFAOYSA-N 1 0 393.487 3.829 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429287118 858936107 /nfs/dbraw/zinc/93/61/07/858936107.db2.gz UIYIZHAGGLHDKL-IEBWSBKVSA-N 1 0 392.341 3.717 20 30 GHEDRO C[C@]1(C#N)CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000596594708 858957935 /nfs/dbraw/zinc/95/79/35/858957935.db2.gz KOUBACZQVBTNKC-WMTXJRDZSA-N 1 0 388.515 3.600 20 30 GHEDRO CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000596695629 859011416 /nfs/dbraw/zinc/01/14/16/859011416.db2.gz VDWYGLJLCSMPCL-HXUWFJFHSA-N 1 0 392.503 3.890 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CC3(C#N)CCCCC3)cc2)C[C@H](C)O1 ZINC000596788859 859076752 /nfs/dbraw/zinc/07/67/52/859076752.db2.gz KBBGPUXHZKTEBT-KDURUIRLSA-N 1 0 383.536 3.776 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000596902438 859137572 /nfs/dbraw/zinc/13/75/72/859137572.db2.gz CHXJBFQERXHODQ-GFCCVEGCSA-N 1 0 379.302 3.563 20 30 GHEDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000596862915 859142728 /nfs/dbraw/zinc/14/27/28/859142728.db2.gz AOHOYRLNTYDUKP-UHFFFAOYSA-N 1 0 399.539 3.511 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c([N+](=O)[O-])c1 ZINC001170352865 881389707 /nfs/dbraw/zinc/38/97/07/881389707.db2.gz SDBXDTPSAIBMIZ-IIBYNOLFSA-N 1 0 395.459 3.949 20 30 GHEDRO N#Cc1c(F)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000597004743 859221472 /nfs/dbraw/zinc/22/14/72/859221472.db2.gz HKOPSVLIQDLONK-ZDUSSCGKSA-N 1 0 375.444 3.540 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000601561282 859335500 /nfs/dbraw/zinc/33/55/00/859335500.db2.gz QALCRRXTELZPRE-SCTDSRPQSA-N 1 0 380.879 3.964 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000601563847 859357209 /nfs/dbraw/zinc/35/72/09/859357209.db2.gz YJLZBPGSBZHBOG-HNNXBMFYSA-N 1 0 380.517 3.906 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000597254130 859379658 /nfs/dbraw/zinc/37/96/58/859379658.db2.gz IYYCJHPAMMZGMI-GOSISDBHSA-N 1 0 375.394 3.966 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000429445922 859385843 /nfs/dbraw/zinc/38/58/43/859385843.db2.gz GCBDKFCIZIHDRA-KGLIPLIRSA-N 1 0 391.284 3.962 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000597279508 859401648 /nfs/dbraw/zinc/40/16/48/859401648.db2.gz WKDPCSANEPCMOV-MAUKXSAKSA-N 1 0 383.442 3.962 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000113939964 859410273 /nfs/dbraw/zinc/41/02/73/859410273.db2.gz JFBXAVDJHITRBQ-UHFFFAOYSA-N 1 0 395.906 3.554 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CC2CC2)cc1 ZINC000597420695 859521835 /nfs/dbraw/zinc/52/18/35/859521835.db2.gz CCQIQBIAAUBPEG-UHFFFAOYSA-N 1 0 390.535 3.681 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000597423434 859526436 /nfs/dbraw/zinc/52/64/36/859526436.db2.gz RLBFDKJGAAHPHC-UHFFFAOYSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[C@@H](OC1CCCCC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352530 859534687 /nfs/dbraw/zinc/53/46/87/859534687.db2.gz DTUWLCPYWMXETL-JOCHJYFZSA-N 1 0 383.536 3.767 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000543393211 859538153 /nfs/dbraw/zinc/53/81/53/859538153.db2.gz AZWCYWPKBOOWJN-UHFFFAOYSA-N 1 0 392.499 3.766 20 30 GHEDRO CC(C)(C)c1ncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593355136 859558114 /nfs/dbraw/zinc/55/81/14/859558114.db2.gz LUXHOQYZDXNCEI-UHFFFAOYSA-N 1 0 382.533 3.707 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000474190933 859584190 /nfs/dbraw/zinc/58/41/90/859584190.db2.gz GJSQWQHRXDLMJJ-HXUWFJFHSA-N 1 0 376.504 3.773 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000611038233 859585401 /nfs/dbraw/zinc/58/54/01/859585401.db2.gz LZPBFZDFIVJMBB-HXUWFJFHSA-N 1 0 399.535 3.605 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001141814589 859611772 /nfs/dbraw/zinc/61/17/72/859611772.db2.gz JOLIQFQOXMWVDW-UHFFFAOYSA-N 1 0 380.305 3.719 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2cccnc2)CC1 ZINC000611258995 859669324 /nfs/dbraw/zinc/66/93/24/859669324.db2.gz RYMPWTFKXLDLJU-QGZVFWFLSA-N 1 0 380.467 3.735 20 30 GHEDRO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000611322725 859695767 /nfs/dbraw/zinc/69/57/67/859695767.db2.gz YBFFRTOAVHQDFX-SBUREZEXSA-N 1 0 395.551 3.679 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccc(C(F)F)cc3)CC2)c1 ZINC000593393091 859706855 /nfs/dbraw/zinc/70/68/55/859706855.db2.gz RPOSBNMFMHRZNP-UHFFFAOYSA-N 1 0 398.457 3.960 20 30 GHEDRO CN(Cc1ccccc1)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000185220031 859711189 /nfs/dbraw/zinc/71/11/89/859711189.db2.gz RKFOTAHGNSPUSF-XMMPIXPASA-N 1 0 399.542 3.959 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C#N ZINC000611346887 859722766 /nfs/dbraw/zinc/72/27/66/859722766.db2.gz OSHWEIFEZRIHRG-NRFANRHFSA-N 1 0 391.563 3.996 20 30 GHEDRO CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611386195 859730991 /nfs/dbraw/zinc/73/09/91/859730991.db2.gz BBULQTHNOJNSIN-CYBMUJFWSA-N 1 0 385.489 3.648 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC(C[NH+](C)C)CC2)c1=S ZINC000765006804 859732934 /nfs/dbraw/zinc/73/29/34/859732934.db2.gz REMQSXVWSMGMFM-UHFFFAOYSA-N 1 0 385.581 3.807 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]2C[NH+]2CCCC2)nc1-c1cccs1 ZINC000765007970 859734918 /nfs/dbraw/zinc/73/49/18/859734918.db2.gz HCXDYWZTLSLGOW-MRXNPFEDSA-N 1 0 389.594 3.846 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000611391941 859734923 /nfs/dbraw/zinc/73/49/23/859734923.db2.gz BLBWUXDARCROML-SFHVURJKSA-N 1 0 384.277 3.926 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593401619 859740534 /nfs/dbraw/zinc/74/05/34/859740534.db2.gz DEBLXSIMEAWBNE-JOCHJYFZSA-N 1 0 388.515 3.884 20 30 GHEDRO COc1ccc2[nH]cc(CC[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000611438569 859761454 /nfs/dbraw/zinc/76/14/54/859761454.db2.gz AYWBCLAMBMPJQL-UHFFFAOYSA-N 1 0 388.515 3.845 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](F)C2)c1C#N ZINC000611501693 859787516 /nfs/dbraw/zinc/78/75/16/859787516.db2.gz HFHWOMKWGHGIDK-AUUYWEPGSA-N 1 0 386.471 3.626 20 30 GHEDRO N#Cc1ccccc1NC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000602183995 859842393 /nfs/dbraw/zinc/84/23/93/859842393.db2.gz QNSVXNKZLWQFDF-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499183425 881469512 /nfs/dbraw/zinc/46/95/12/881469512.db2.gz BHZSAXBOKMQFPT-QUCCMNQESA-N 1 0 397.519 3.523 20 30 GHEDRO C[C@@H]1SCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000118534811 859855229 /nfs/dbraw/zinc/85/52/29/859855229.db2.gz VGJMDHINEJZKMS-XJABCFGWSA-N 1 0 382.529 3.671 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000765247099 859864885 /nfs/dbraw/zinc/86/48/85/859864885.db2.gz PLROAFZAIYEQKD-OXJNMPFZSA-N 1 0 388.471 3.501 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC1 ZINC000474332931 859876425 /nfs/dbraw/zinc/87/64/25/859876425.db2.gz TZWADRQSYZMZSD-ZIAGYGMSSA-N 1 0 398.370 3.706 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597911286 859905334 /nfs/dbraw/zinc/90/53/34/859905334.db2.gz IWSHRVUMLCDYNM-IEBWSBKVSA-N 1 0 379.426 3.593 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1)C(C)C ZINC000597935343 859921857 /nfs/dbraw/zinc/92/18/57/859921857.db2.gz WBRSIIOSHMOYGZ-UHFFFAOYSA-N 1 0 396.560 3.812 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000602353893 859970665 /nfs/dbraw/zinc/97/06/65/859970665.db2.gz OVKIFPVZHYRJRC-QFIPXVFZSA-N 1 0 391.519 3.568 20 30 GHEDRO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000092034440 859979308 /nfs/dbraw/zinc/97/93/08/859979308.db2.gz OPIQWDILVMQXJW-KRWDZBQOSA-N 1 0 394.471 3.542 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1ccc(C)c(F)c1 ZINC000727242874 860010533 /nfs/dbraw/zinc/01/05/33/860010533.db2.gz NXVMONNCDVHFQD-UHFFFAOYSA-N 1 0 387.499 3.805 20 30 GHEDRO CCN(C(=O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000922477647 860051839 /nfs/dbraw/zinc/05/18/39/860051839.db2.gz JCAUFLSVBKGUPO-UHFFFAOYSA-N 1 0 387.487 3.606 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCCc4ccccc4C3)CC2)c1 ZINC000593510885 860067810 /nfs/dbraw/zinc/06/78/10/860067810.db2.gz DSMRIGPRMSBDTF-UHFFFAOYSA-N 1 0 388.515 3.681 20 30 GHEDRO Cc1csc(C(C)(C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593511138 860070238 /nfs/dbraw/zinc/07/02/38/860070238.db2.gz HZVZEZDLSCQLIS-UHFFFAOYSA-N 1 0 397.548 3.522 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CCCOc3cccc(C#N)c3)CCN2C2CC2)c1 ZINC000555127132 860078920 /nfs/dbraw/zinc/07/89/20/860078920.db2.gz ASCVFQRHTASLIK-BJKOFHAPSA-N 1 0 391.515 3.903 20 30 GHEDRO C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000593512210 860079517 /nfs/dbraw/zinc/07/95/17/860079517.db2.gz MDDCSDTVOXKDCV-FDDCHVKYSA-N 1 0 388.515 3.925 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000602536615 860085102 /nfs/dbraw/zinc/08/51/02/860085102.db2.gz VFKBCEAKUKGTTI-INIZCTEOSA-N 1 0 384.549 3.954 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3ccc(OC(F)(F)F)cn3)CC2)c1 ZINC000593514879 860090186 /nfs/dbraw/zinc/09/01/86/860090186.db2.gz GJTXQFCQFGJWMR-UHFFFAOYSA-N 1 0 376.382 3.928 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1OCc1ccccc1 ZINC001170384437 881499564 /nfs/dbraw/zinc/49/95/64/881499564.db2.gz BKCGCBDFALNLSM-NHCUHLMSSA-N 1 0 377.488 3.860 20 30 GHEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC001170384435 881500237 /nfs/dbraw/zinc/50/02/37/881500237.db2.gz BKCGCBDFALNLSM-LEWJYISDSA-N 1 0 377.488 3.860 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@H](C)CCC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000602558383 860109720 /nfs/dbraw/zinc/10/97/20/860109720.db2.gz PPESHGBVBBGJID-IERDGZPVSA-N 1 0 386.517 3.718 20 30 GHEDRO C=C(C)CN(CC)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000102045158 860112688 /nfs/dbraw/zinc/11/26/88/860112688.db2.gz TZZAUQQNHITXEQ-KRWDZBQOSA-N 1 0 376.520 3.636 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598194327 860122536 /nfs/dbraw/zinc/12/25/36/860122536.db2.gz FRTCCCAWGIQSFE-AUSIDOKSSA-N 1 0 375.516 3.512 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000484572531 860125263 /nfs/dbraw/zinc/12/52/63/860125263.db2.gz NFHKLABBHNODSG-OAQYLSRUSA-N 1 0 391.506 3.671 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccccc3OCCCCO)CC2)nc1 ZINC000602575768 860140050 /nfs/dbraw/zinc/14/00/50/860140050.db2.gz JVSRECZAPYBTTP-UHFFFAOYSA-N 1 0 395.503 3.584 20 30 GHEDRO CC1(C)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@H]21 ZINC000593517586 860145304 /nfs/dbraw/zinc/14/53/04/860145304.db2.gz STIQYAFOGQGMMJ-NHCUHLMSSA-N 1 0 380.536 3.743 20 30 GHEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000602677681 860213154 /nfs/dbraw/zinc/21/31/54/860213154.db2.gz RHNLEOCGKSOTCR-HLIUYOAVSA-N 1 0 381.314 3.943 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000484658840 860233820 /nfs/dbraw/zinc/23/38/20/860233820.db2.gz XLBZWEKXUBNSJB-WTIAFYNJSA-N 1 0 380.488 3.586 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3c3cn[nH]c3)sc2C1 ZINC000602878779 860333234 /nfs/dbraw/zinc/33/32/34/860333234.db2.gz AKHYFSPQDNQPFT-GUYCJALGSA-N 1 0 383.521 3.633 20 30 GHEDRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908260 860342552 /nfs/dbraw/zinc/34/25/52/860342552.db2.gz BQEPAQXOKGDGRX-UZLBHIALSA-N 1 0 394.544 3.946 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(OCC(F)(F)F)nc3)CC2)nc1 ZINC000602908008 860342814 /nfs/dbraw/zinc/34/28/14/860342814.db2.gz XEFMBBQHHKHIKJ-UHFFFAOYSA-N 1 0 376.382 3.669 20 30 GHEDRO N#Cc1ccccc1NC1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000602900079 860352106 /nfs/dbraw/zinc/35/21/06/860352106.db2.gz LSEWLKVSBHIKFX-LJQANCHMSA-N 1 0 388.515 3.597 20 30 GHEDRO N#Cc1nc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000484823377 860381528 /nfs/dbraw/zinc/38/15/28/860381528.db2.gz PLYYYKRWWZPAQV-UHFFFAOYSA-N 1 0 384.911 3.512 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN([C@H](C#N)c3ccc(Cl)cc3)C2)ccn1 ZINC000856583636 881535144 /nfs/dbraw/zinc/53/51/44/881535144.db2.gz MXKUZEXXSNPIFC-LEWJYISDSA-N 1 0 384.911 3.905 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC[NH2+]1 ZINC000598574220 860417774 /nfs/dbraw/zinc/41/77/74/860417774.db2.gz LJWBYFYDMMWDTC-HXUWFJFHSA-N 1 0 379.529 3.921 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000598596411 860439127 /nfs/dbraw/zinc/43/91/27/860439127.db2.gz PVEFHIAADJBWOF-DOTOQJQBSA-N 1 0 388.899 3.870 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CC[C@@H](C)C1 ZINC000484896184 860445149 /nfs/dbraw/zinc/44/51/49/860445149.db2.gz RMSIRGJSYDMCNP-HZPDHXFCSA-N 1 0 389.565 3.964 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1Cl ZINC000155277493 860464521 /nfs/dbraw/zinc/46/45/21/860464521.db2.gz RCVRNEYZGPKCMC-UHFFFAOYSA-N 1 0 379.794 3.683 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=S)Nc2cc(OCC)ccc2OCC)CC1 ZINC000729941845 860469384 /nfs/dbraw/zinc/46/93/84/860469384.db2.gz DWJPJQXOWQJPQG-UHFFFAOYSA-N 1 0 377.554 3.811 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(COc3ccc(F)cc3)n2)CC1 ZINC000729975104 860480218 /nfs/dbraw/zinc/48/02/18/860480218.db2.gz IOMYTKWYMXTPQW-UHFFFAOYSA-N 1 0 389.496 3.632 20 30 GHEDRO N#CCCn1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000172117530 860504605 /nfs/dbraw/zinc/50/46/05/860504605.db2.gz ITWOAHUOJIVLEI-UHFFFAOYSA-N 1 0 391.441 3.580 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000598675021 860510780 /nfs/dbraw/zinc/51/07/80/860510780.db2.gz AICJALPCILUWCE-UHFFFAOYSA-N 1 0 385.515 3.710 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN([C@@H](C#N)c3ccc(Cl)cc3)C2)ccn1 ZINC000856583638 881548649 /nfs/dbraw/zinc/54/86/49/881548649.db2.gz MXKUZEXXSNPIFC-RTWAWAEBSA-N 1 0 384.911 3.905 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(-c2ccncc2)n1 ZINC000896229006 860556766 /nfs/dbraw/zinc/55/67/66/860556766.db2.gz XIJIIUOWZJLKNJ-KRWDZBQOSA-N 1 0 393.388 3.725 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598968353 860695653 /nfs/dbraw/zinc/69/56/53/860695653.db2.gz YFDABZAHCGLPOK-UHFFFAOYSA-N 1 0 390.531 3.861 20 30 GHEDRO C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000076800355 860716226 /nfs/dbraw/zinc/71/62/26/860716226.db2.gz KXEPPPYPZDYAGQ-GHTZIAJQSA-N 1 0 376.504 3.783 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000429021906 860718569 /nfs/dbraw/zinc/71/85/69/860718569.db2.gz SCDXPQXGXDLRDZ-CUDBPUKSSA-N 1 0 396.579 3.601 20 30 GHEDRO CCOCc1ccccc1CNC(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000125749264 860765233 /nfs/dbraw/zinc/76/52/33/860765233.db2.gz ZEXSSZHUQKGJNY-SFHVURJKSA-N 1 0 379.504 3.794 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3c(C4CC4)nc4sccn34)CC2)c1 ZINC000593692731 860858589 /nfs/dbraw/zinc/85/85/89/860858589.db2.gz JALAIDYVDALMSG-UHFFFAOYSA-N 1 0 391.544 3.899 20 30 GHEDRO Cc1ccccc1CO[C@H](C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000600081079 860918447 /nfs/dbraw/zinc/91/84/47/860918447.db2.gz JCGVCVNRNUAFMS-LJQANCHMSA-N 1 0 391.515 3.553 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]3c3ccc(F)cc3)CC2)c1 ZINC000600083009 860922487 /nfs/dbraw/zinc/92/24/87/860922487.db2.gz RKKGIOSOHLNVNZ-DHIUTWEWSA-N 1 0 391.490 3.972 20 30 GHEDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000329041729 860970057 /nfs/dbraw/zinc/97/00/57/860970057.db2.gz DRJDHULWWAQUJG-UHFFFAOYSA-N 1 0 395.551 3.970 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)CCOCC1 ZINC000599266297 860971881 /nfs/dbraw/zinc/97/18/81/860971881.db2.gz WINQHPLYYLBMHA-KRWDZBQOSA-N 1 0 382.426 3.741 20 30 GHEDRO C=CC[C@H](C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)c1ccccc1 ZINC000856629759 881600483 /nfs/dbraw/zinc/60/04/83/881600483.db2.gz QTCMSTKATDFQBG-PKTZIBPZSA-N 1 0 393.531 3.873 20 30 GHEDRO C[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[N@@H+]1CCCC[C@H]1C ZINC000603660113 860993740 /nfs/dbraw/zinc/99/37/40/860993740.db2.gz PNKUGQMDWXPHBW-HZPDHXFCSA-N 1 0 397.548 3.990 20 30 GHEDRO C=CCOc1cccc(NC(=O)N2CCC(OCC[NH+](CC)CC)CC2)c1 ZINC000072940096 860994069 /nfs/dbraw/zinc/99/40/69/860994069.db2.gz JCWHJECSFOIQBO-UHFFFAOYSA-N 1 0 375.513 3.606 20 30 GHEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)CC2 ZINC000593720058 861002077 /nfs/dbraw/zinc/00/20/77/861002077.db2.gz FPGFVASRQIOLIR-JOCHJYFZSA-N 1 0 391.515 3.817 20 30 GHEDRO Cc1cc(C)cc(C2=CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)c1 ZINC000329095515 861013289 /nfs/dbraw/zinc/01/32/89/861013289.db2.gz KVWORQNSEPAZAR-PKTZIBPZSA-N 1 0 397.563 3.684 20 30 GHEDRO C[C@H](c1ccccc1Br)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599272170 861020171 /nfs/dbraw/zinc/02/01/71/861020171.db2.gz LMCPVMORXYCDPS-CABCVRRESA-N 1 0 381.314 3.513 20 30 GHEDRO COCc1ccccc1/C=C(/C)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000509098704 861034162 /nfs/dbraw/zinc/03/41/62/861034162.db2.gz VCXHVXYWBDKGCO-OVZBEQQUSA-N 1 0 387.483 3.582 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000603689531 861044803 /nfs/dbraw/zinc/04/48/03/861044803.db2.gz OPPYJMOABMSKTF-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000329134402 861054116 /nfs/dbraw/zinc/05/41/16/861054116.db2.gz BQVXCMPFHDWTMC-FBBABVLZSA-N 1 0 383.536 3.880 20 30 GHEDRO CCc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000329147870 861067396 /nfs/dbraw/zinc/06/73/96/861067396.db2.gz PHMNWBIQXQVABD-IAGOWNOFSA-N 1 0 383.540 3.632 20 30 GHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC2CCS(=O)(=O)CC2)[C@@H]2CCCC[C@H]12 ZINC000329160815 861089365 /nfs/dbraw/zinc/08/93/65/861089365.db2.gz DYHLVIUKVACUJC-ORFRNNEJSA-N 1 0 398.613 3.835 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CC1 ZINC000730384616 861089837 /nfs/dbraw/zinc/08/98/37/861089837.db2.gz TUOQCUIYMLISKL-UHFFFAOYSA-N 1 0 393.487 3.816 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](COCc2ccccc2)c2ccccc2)CCOCC1 ZINC000599355849 861096938 /nfs/dbraw/zinc/09/69/38/861096938.db2.gz IJBIAJIOMCDIBH-XZOQPEGZSA-N 1 0 394.515 3.605 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2csc(Br)c2)C2CC2)CCOCC1 ZINC000599336350 861101933 /nfs/dbraw/zinc/10/19/33/861101933.db2.gz MAHSXBFOPMTLOI-OAHLLOKOSA-N 1 0 399.354 3.546 20 30 GHEDRO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(Cc2ncc[nH]2)CC1 ZINC000329194375 861124216 /nfs/dbraw/zinc/12/42/16/861124216.db2.gz SVBHYKBPLQYDMI-UHFFFAOYSA-N 1 0 398.551 3.754 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)CCOCC1 ZINC000599362925 861129486 /nfs/dbraw/zinc/12/94/86/861129486.db2.gz SIZKQOJKZVDGSA-UONOGXRCSA-N 1 0 399.354 3.719 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc1OC ZINC000623503311 861141863 /nfs/dbraw/zinc/14/18/63/861141863.db2.gz UJWOOPBFCIXHKD-UHFFFAOYSA-N 1 0 390.915 3.704 20 30 GHEDRO C=CCNC(=O)[C@H](C)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000111278875 861148947 /nfs/dbraw/zinc/14/89/47/861148947.db2.gz OHFSNJDFXURFPK-HNNXBMFYSA-N 1 0 396.466 3.519 20 30 GHEDRO CC(C)[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000329211984 861151520 /nfs/dbraw/zinc/15/15/20/861151520.db2.gz HNHXVISEVAGBDA-CDXJDZJCSA-N 1 0 387.524 3.628 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000599395595 861160545 /nfs/dbraw/zinc/16/05/45/861160545.db2.gz BGZCFCHFWGBREC-SFHVURJKSA-N 1 0 380.891 3.672 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623530449 861162346 /nfs/dbraw/zinc/16/23/46/861162346.db2.gz YUGUZAGRJOVVGY-ZWNOBZJWSA-N 1 0 375.284 3.702 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1OC ZINC000623534834 861172873 /nfs/dbraw/zinc/17/28/73/861172873.db2.gz AEEJHXXXSLVZJS-QGZVFWFLSA-N 1 0 379.859 3.746 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000733744197 863140003 /nfs/dbraw/zinc/14/00/03/863140003.db2.gz CBZUIRFIRDPHQS-SJLPKXTDSA-N 1 0 381.524 3.859 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000733804014 863171881 /nfs/dbraw/zinc/17/18/81/863171881.db2.gz VLCNLHKJOUGEGS-QUCCMNQESA-N 1 0 386.540 3.679 20 30 GHEDRO C[C@H](C[N+](C)(C)C)Oc1c(Br)cc(C#N)cc1Br ZINC001227346349 863190804 /nfs/dbraw/zinc/19/08/04/863190804.db2.gz RSKXBSPLAYWMDR-SECBINFHSA-N 1 0 377.100 3.557 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000733842910 863198324 /nfs/dbraw/zinc/19/83/24/863198324.db2.gz FIPQOEJIQDRAEB-LJQANCHMSA-N 1 0 396.491 3.630 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000062487582 863448527 /nfs/dbraw/zinc/44/85/27/863448527.db2.gz RGCSHBWXFUFUJN-UHFFFAOYSA-N 1 0 387.593 3.788 20 30 GHEDRO C[NH+]=C(NCc1nc(C)c(C)s1)NCc1nc2cc(Cl)ccc2s1 ZINC000262393021 863453062 /nfs/dbraw/zinc/45/30/62/863453062.db2.gz MOIYHLRCCMQLIU-UHFFFAOYSA-N 1 0 379.942 3.888 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000062502097 863481572 /nfs/dbraw/zinc/48/15/72/863481572.db2.gz RDQYNLWNZOCBOR-OAHLLOKOSA-N 1 0 386.446 3.671 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522831511 863502363 /nfs/dbraw/zinc/50/23/63/863502363.db2.gz PYOHXYGJBNFWAO-LJQANCHMSA-N 1 0 378.476 3.591 20 30 GHEDRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000593963890 863551188 /nfs/dbraw/zinc/55/11/88/863551188.db2.gz SSEHWAJRVOSLAH-JOCHJYFZSA-N 1 0 377.488 3.902 20 30 GHEDRO COc1ccc2c(c1)[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CCC2 ZINC000593974197 863588036 /nfs/dbraw/zinc/58/80/36/863588036.db2.gz SSMVVEYSYSFYRI-JOCHJYFZSA-N 1 0 391.515 3.577 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)Nc1ccc(C)c(F)c1 ZINC000172580220 863776209 /nfs/dbraw/zinc/77/62/09/863776209.db2.gz DQSCBQXIJXARPU-UHFFFAOYSA-O 1 0 397.499 3.768 20 30 GHEDRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032946 863826156 /nfs/dbraw/zinc/82/61/56/863826156.db2.gz SEEQFHDPWQGDIQ-UHFFFAOYSA-N 1 0 399.441 3.787 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000733907241 863852142 /nfs/dbraw/zinc/85/21/42/863852142.db2.gz MCLNVGPOKNACRU-UZLBHIALSA-N 1 0 381.524 3.859 20 30 GHEDRO CCC(CC)[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000480050485 863940721 /nfs/dbraw/zinc/94/07/21/863940721.db2.gz JPENKEGVOWJGCY-QFIPXVFZSA-N 1 0 379.552 3.949 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734105877 863995227 /nfs/dbraw/zinc/99/52/27/863995227.db2.gz HUHONCCMXHXBKO-LJQANCHMSA-N 1 0 388.471 3.645 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c(OC)c1 ZINC000554264149 864006997 /nfs/dbraw/zinc/00/69/97/864006997.db2.gz IPXZHJVHMIIHMI-DUXKGJEZSA-N 1 0 382.504 3.642 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262423647 864066352 /nfs/dbraw/zinc/06/63/52/864066352.db2.gz RHFKPHVTTADPRX-OTWHNJEPSA-N 1 0 382.508 3.519 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN(CC[NH+]3CCCCCC3)C3CCC3)o2)cc1 ZINC000554303126 864088300 /nfs/dbraw/zinc/08/83/00/864088300.db2.gz PMTUJYIAVIPDQM-UHFFFAOYSA-N 1 0 379.508 3.839 20 30 GHEDRO Cc1cccc(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000734361751 864176981 /nfs/dbraw/zinc/17/69/81/864176981.db2.gz IHXDVPHUGYRZRJ-MRXNPFEDSA-N 1 0 381.549 3.883 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000734531560 864281598 /nfs/dbraw/zinc/28/15/98/864281598.db2.gz MJHWSYGDMFZSOF-DQVLVPHSSA-N 1 0 398.551 3.773 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccncc1 ZINC000734652516 864371825 /nfs/dbraw/zinc/37/18/25/864371825.db2.gz LLXXLSBMKXHJBA-YADHBBJMSA-N 1 0 394.519 3.844 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000734667942 864393480 /nfs/dbraw/zinc/39/34/80/864393480.db2.gz VAJXSURQPGUNFY-RBBKRZOGSA-N 1 0 378.520 3.563 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@H]1CCOc2ccccc21 ZINC000262438986 864412519 /nfs/dbraw/zinc/41/25/19/864412519.db2.gz UHQNSTJWJOZYEH-IBGZPJMESA-N 1 0 376.460 3.839 20 30 GHEDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000186196529 864448218 /nfs/dbraw/zinc/44/82/18/864448218.db2.gz QGKKGLIQCQEQTK-UHFFFAOYSA-N 1 0 391.515 3.542 20 30 GHEDRO CC1(C)OCc2cc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2O1 ZINC000186251335 864501523 /nfs/dbraw/zinc/50/15/23/864501523.db2.gz OJQFGWPVEMIRMW-UHFFFAOYSA-N 1 0 391.515 3.911 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(F)c(Br)cc1Cl ZINC000475192582 864509264 /nfs/dbraw/zinc/50/92/64/864509264.db2.gz RIAWTCYUZRSUHM-UHFFFAOYSA-N 1 0 390.684 3.549 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000898799155 864643317 /nfs/dbraw/zinc/64/33/17/864643317.db2.gz CCOTUBNWPGISAL-IBGZPJMESA-N 1 0 376.504 3.701 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000475260679 864644502 /nfs/dbraw/zinc/64/45/02/864644502.db2.gz BEBMOGROLYLYKT-SFHVURJKSA-N 1 0 385.552 3.667 20 30 GHEDRO Cc1cccc(C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000063408885 864706329 /nfs/dbraw/zinc/70/63/29/864706329.db2.gz ZHMCTAGFMXFAFU-UHFFFAOYSA-N 1 0 392.547 3.918 20 30 GHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCNC(=O)c2ccc(Cl)cn2)cc1 ZINC001170422699 881811103 /nfs/dbraw/zinc/81/11/03/881811103.db2.gz VSDHZFCZWZLOEY-HXUWFJFHSA-N 1 0 384.911 3.900 20 30 GHEDRO CC1(C)OCc2cc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)ccc2O1 ZINC000186340047 864868998 /nfs/dbraw/zinc/86/89/98/864868998.db2.gz VAKWQTKLJVYVCD-UHFFFAOYSA-N 1 0 377.488 3.916 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 ZINC000594106455 864892855 /nfs/dbraw/zinc/89/28/55/864892855.db2.gz XIWOAJVGDVTTCQ-MAEOIBBWSA-N 1 0 394.523 3.503 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000475404016 864945119 /nfs/dbraw/zinc/94/51/19/864945119.db2.gz XSSYNBBJYVXWMS-GOSISDBHSA-N 1 0 399.560 3.958 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061550 864953427 /nfs/dbraw/zinc/95/34/27/864953427.db2.gz YEJMJYVLJWMJDF-HOCLYGCPSA-N 1 0 397.357 3.985 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189427915 881855514 /nfs/dbraw/zinc/85/55/14/881855514.db2.gz SFYTZAVMQXIGOZ-UHFFFAOYSA-N 1 0 397.494 3.821 20 30 GHEDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751246 865305096 /nfs/dbraw/zinc/30/50/96/865305096.db2.gz VLYBBWXQBYESEF-UHFFFAOYSA-N 1 0 396.447 3.714 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1 ZINC000171739829 865349740 /nfs/dbraw/zinc/34/97/40/865349740.db2.gz HXZPTXLTYGZHID-UHFFFAOYSA-N 1 0 393.413 3.663 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCOc2cc(OC)ccc21)C(C)C ZINC000608640897 865525507 /nfs/dbraw/zinc/52/55/07/865525507.db2.gz FVEVVZKCEOSYQU-UXHICEINSA-N 1 0 387.524 3.517 20 30 GHEDRO Cc1nc(C(C)C)ccc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000555135593 865559105 /nfs/dbraw/zinc/55/91/05/865559105.db2.gz FHCBGPVZZFCTIV-UHFFFAOYSA-N 1 0 376.504 3.733 20 30 GHEDRO CCc1ccc(CN2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)s1 ZINC000738897798 865638589 /nfs/dbraw/zinc/63/85/89/865638589.db2.gz AVDGAHVYQRJWNR-UHFFFAOYSA-N 1 0 384.505 3.563 20 30 GHEDRO CCS[C@@H]1CCCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000481033436 865686323 /nfs/dbraw/zinc/68/63/23/865686323.db2.gz JXKWLDNABKSDIQ-GOSISDBHSA-N 1 0 398.494 3.781 20 30 GHEDRO COc1ccccc1CC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000608833350 865736512 /nfs/dbraw/zinc/73/65/12/865736512.db2.gz ORBSLNKEVAXORZ-UHFFFAOYSA-N 1 0 383.536 3.635 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CNc1ccc(C#N)cc1 ZINC000608877762 865782823 /nfs/dbraw/zinc/78/28/23/865782823.db2.gz VEOLTMJNCPGFIU-JOCHJYFZSA-N 1 0 390.531 3.559 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555256822 865812045 /nfs/dbraw/zinc/81/20/45/865812045.db2.gz UHBKYMYMKHEDCW-IBGZPJMESA-N 1 0 383.515 3.649 20 30 GHEDRO C#CCSCCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000740026884 865847230 /nfs/dbraw/zinc/84/72/30/865847230.db2.gz CWZQOJSCDLQQCP-UHFFFAOYSA-N 1 0 381.545 3.581 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000174564509 865889664 /nfs/dbraw/zinc/88/96/64/865889664.db2.gz KTABXKSQTPXAQX-GOSISDBHSA-N 1 0 378.520 3.802 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000594350955 865923368 /nfs/dbraw/zinc/92/33/68/865923368.db2.gz XUFDNRBPOOQRJM-FTXHTYHOSA-N 1 0 393.453 3.658 20 30 GHEDRO CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000740483954 865928547 /nfs/dbraw/zinc/92/85/47/865928547.db2.gz FRXCOKKXYVBKCQ-SFHVURJKSA-N 1 0 380.517 3.665 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+]1CCCC[C@@H]1C ZINC000609058184 865941194 /nfs/dbraw/zinc/94/11/94/865941194.db2.gz YNPSSTHHAHUDHW-DLBZAZTESA-N 1 0 381.476 3.723 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)cnc1Cl ZINC000793091550 881922189 /nfs/dbraw/zinc/92/21/89/881922189.db2.gz IQNHGXMJLSPZFQ-UHFFFAOYSA-N 1 0 382.895 3.688 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000025300208 866298821 /nfs/dbraw/zinc/29/88/21/866298821.db2.gz VVLCVOVCGDSLEM-QFIPXVFZSA-N 1 0 394.515 3.506 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000071027991 866338648 /nfs/dbraw/zinc/33/86/48/866338648.db2.gz OECKZDKSYRUCSI-UHFFFAOYSA-N 1 0 385.383 3.563 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670234287 866377910 /nfs/dbraw/zinc/37/79/10/866377910.db2.gz FUQJRHGOGUVHER-OAHLLOKOSA-N 1 0 391.466 3.653 20 30 GHEDRO N#Cc1ccccc1OCCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741326823 866407302 /nfs/dbraw/zinc/40/73/02/866407302.db2.gz FFDCPKBLDXWCDB-LJQANCHMSA-N 1 0 382.435 3.532 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)cc1 ZINC000741521808 866571925 /nfs/dbraw/zinc/57/19/25/866571925.db2.gz BVXFUVHIEXRLQL-QFIPXVFZSA-N 1 0 380.488 3.520 20 30 GHEDRO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)Nc1ccccc1)[n+]1ccccc1 ZINC000007611287 866712261 /nfs/dbraw/zinc/71/22/61/866712261.db2.gz XFHHRAPGAXWOQD-UHFFFAOYSA-O 1 0 378.433 3.933 20 30 GHEDRO CC[N@H+](CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000102065231 866729685 /nfs/dbraw/zinc/72/96/85/866729685.db2.gz DRODHBWOEFKXGY-UHFFFAOYSA-N 1 0 394.494 3.893 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741725815 866755320 /nfs/dbraw/zinc/75/53/20/866755320.db2.gz IRDCNYMYYIAXAQ-KRWDZBQOSA-N 1 0 384.426 3.828 20 30 GHEDRO C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000523285538 867024319 /nfs/dbraw/zinc/02/43/19/867024319.db2.gz UGKKSVSAOABDGI-IAGOWNOFSA-N 1 0 381.476 3.580 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000742119493 867061330 /nfs/dbraw/zinc/06/13/30/867061330.db2.gz XWLRQLSXYXCRRG-CSNYQSHPSA-N 1 0 384.520 3.608 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(CC#N)cc2)[NH+]2CCCCC2)cc1 ZINC000534649489 867190060 /nfs/dbraw/zinc/19/00/60/867190060.db2.gz CHGNHIGTLCAIFQ-JOCHJYFZSA-N 1 0 377.488 3.718 20 30 GHEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)CCCC1(C)C ZINC000444790083 867252807 /nfs/dbraw/zinc/25/28/07/867252807.db2.gz HIAAZJVNZWKWCN-SFHVURJKSA-N 1 0 376.497 3.718 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1C#N ZINC000742371392 867266316 /nfs/dbraw/zinc/26/63/16/867266316.db2.gz UWNIKEHMPCHEOI-INIZCTEOSA-N 1 0 391.393 3.834 20 30 GHEDRO C=CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C(C)C ZINC000920412248 882089838 /nfs/dbraw/zinc/08/98/38/882089838.db2.gz UEQNMCIISNBVSY-UHFFFAOYSA-N 1 0 382.483 3.999 20 30 GHEDRO N#CC1(NC(=O)c2cccc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479321608 867559887 /nfs/dbraw/zinc/55/98/87/867559887.db2.gz WNBHUOMHTQFRRZ-UHFFFAOYSA-N 1 0 398.304 3.737 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000190115790 882095506 /nfs/dbraw/zinc/09/55/06/882095506.db2.gz ZWRHSDXUONBXRR-UHFFFAOYSA-N 1 0 381.442 3.574 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000457114156 867669335 /nfs/dbraw/zinc/66/93/35/867669335.db2.gz KGUKOKNWEVVWPX-HXUWFJFHSA-N 1 0 393.535 3.635 20 30 GHEDRO Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183774216 867805535 /nfs/dbraw/zinc/80/55/35/867805535.db2.gz NLXMGLXULYNMTM-KRWDZBQOSA-N 1 0 380.492 3.788 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508841327 867850468 /nfs/dbraw/zinc/85/04/68/867850468.db2.gz PYUDZZLFNDJPIG-MTQWCTHYSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508841329 867850548 /nfs/dbraw/zinc/85/05/48/867850548.db2.gz PYUDZZLFNDJPIG-ZGXWSNOMSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508841328 867850963 /nfs/dbraw/zinc/85/09/63/867850963.db2.gz PYUDZZLFNDJPIG-VNTMZGSJSA-N 1 0 387.572 3.652 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000523730597 867860582 /nfs/dbraw/zinc/86/05/82/867860582.db2.gz AJPGYVQEBZHERV-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO COc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000442689068 867883148 /nfs/dbraw/zinc/88/31/48/867883148.db2.gz GDRXOBSRWVEURL-QGZVFWFLSA-N 1 0 377.488 3.656 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000743198616 867948231 /nfs/dbraw/zinc/94/82/31/867948231.db2.gz TTZMEFVYOATPAI-UHFFFAOYSA-N 1 0 375.488 3.814 20 30 GHEDRO NC(=[NH+]OCc1c(Cl)oc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000857243379 882137342 /nfs/dbraw/zinc/13/73/42/882137342.db2.gz GSSADTPLYMZDPI-UHFFFAOYSA-N 1 0 399.878 3.884 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000743201802 867952622 /nfs/dbraw/zinc/95/26/22/867952622.db2.gz LTIUYUVVDFCBNV-IBGZPJMESA-N 1 0 381.451 3.624 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190629602 882144543 /nfs/dbraw/zinc/14/45/43/882144543.db2.gz HOJUBKSEHBOLLG-AUUYWEPGSA-N 1 0 385.414 3.611 20 30 GHEDRO Cc1cc(C)cc([C@H](O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000743266250 868042148 /nfs/dbraw/zinc/04/21/48/868042148.db2.gz BFSLOORVUMPITM-JOCHJYFZSA-N 1 0 377.488 3.559 20 30 GHEDRO CCCN(C(=O)c1ccc(C#N)c(C)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195366559 882170712 /nfs/dbraw/zinc/17/07/12/882170712.db2.gz OMUMKKPRIRSCFG-NRFANRHFSA-N 1 0 376.504 3.779 20 30 GHEDRO CCCN(C(=O)c1cc(C)c(C#N)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457525243 868412661 /nfs/dbraw/zinc/41/26/61/868412661.db2.gz HXJBOZKLJNZEBR-NRFANRHFSA-N 1 0 376.504 3.779 20 30 GHEDRO CC[N@H+](CCOc1ccccc1C#N)Cc1cc(Br)ccc1O ZINC000743870976 868468298 /nfs/dbraw/zinc/46/82/98/868468298.db2.gz KGQXIKNLYDQJDD-UHFFFAOYSA-N 1 0 375.266 3.927 20 30 GHEDRO N#CC(CC[N@H+]1CC[C@H](C(=O)N2CCCC2)C1)(c1ccccc1)c1ccccc1 ZINC000553942244 868475524 /nfs/dbraw/zinc/47/55/24/868475524.db2.gz AQHISOXEDFDOGH-NRFANRHFSA-N 1 0 387.527 3.831 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)cc1 ZINC000609075656 868727264 /nfs/dbraw/zinc/72/72/64/868727264.db2.gz PIHOUJVUJZZQGR-JOCHJYFZSA-N 1 0 392.499 3.678 20 30 GHEDRO CCOc1ccc(C2(C[NH2+]Cc3ccc(C#N)c(OC)c3)CCOCC2)cc1 ZINC000440814953 868746960 /nfs/dbraw/zinc/74/69/60/868746960.db2.gz REPIBCWBMAUCIT-UHFFFAOYSA-N 1 0 380.488 3.804 20 30 GHEDRO NC(=[NH+]OCc1ccn(-c2ccc(F)cc2)n1)c1ccc(N2CCCCC2)cc1 ZINC000744446091 868847897 /nfs/dbraw/zinc/84/78/97/868847897.db2.gz OISUNIKQXWHLRW-UHFFFAOYSA-N 1 0 393.466 3.839 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1C#N ZINC000442879202 868988214 /nfs/dbraw/zinc/98/82/14/868988214.db2.gz IGRIGUUIAWPGLE-KRWDZBQOSA-N 1 0 396.466 3.740 20 30 GHEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000445885436 869091390 /nfs/dbraw/zinc/09/13/90/869091390.db2.gz NJFIGORWFONGJO-OAHLLOKOSA-N 1 0 394.359 3.740 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000524474252 869131016 /nfs/dbraw/zinc/13/10/16/869131016.db2.gz LARMGCCWRCCMCG-QHCPKHFHSA-N 1 0 388.515 3.920 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Cc2ccccc2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000776937316 882270984 /nfs/dbraw/zinc/27/09/84/882270984.db2.gz CSVSWPVGHHZKBH-WMZHIEFXSA-N 1 0 375.516 3.807 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000524520914 869220286 /nfs/dbraw/zinc/22/02/86/869220286.db2.gz JPOBMZNUUFHLAT-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000445986090 869238481 /nfs/dbraw/zinc/23/84/81/869238481.db2.gz QVNFSXYMCJSPQD-ZIFCJYIRSA-N 1 0 379.426 3.740 20 30 GHEDRO CO[C@@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000524619670 869353677 /nfs/dbraw/zinc/35/36/77/869353677.db2.gz CBCDCSNNQCZYLW-HNNXBMFYSA-N 1 0 377.554 3.963 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000446060799 869353763 /nfs/dbraw/zinc/35/37/63/869353763.db2.gz JEALQVMYKZYAAV-FQEVSTJZSA-N 1 0 379.504 3.553 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000793588965 882295119 /nfs/dbraw/zinc/29/51/19/882295119.db2.gz FJXWSCCHXJHUPO-KRWDZBQOSA-N 1 0 381.476 3.618 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000539613602 869446850 /nfs/dbraw/zinc/44/68/50/869446850.db2.gz FBDDTMRXPROGIW-OXJNMPFZSA-N 1 0 375.538 3.646 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000462473001 869515847 /nfs/dbraw/zinc/51/58/47/869515847.db2.gz GSTJKKFVRCFODZ-VGSWGCGISA-N 1 0 379.504 3.868 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)nc1 ZINC000428792886 869537914 /nfs/dbraw/zinc/53/79/14/869537914.db2.gz JARZCBKMTOZQOU-KRWDZBQOSA-N 1 0 377.366 3.548 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1=O ZINC000539710772 869642416 /nfs/dbraw/zinc/64/24/16/869642416.db2.gz BKRGJVCDEWJTKE-RTBURBONSA-N 1 0 385.305 3.915 20 30 GHEDRO CCC[NH+]1CCN(c2ccccc2CN=Nc2oc(C(C)C)nc2C#N)CC1 ZINC000745613990 869701492 /nfs/dbraw/zinc/70/14/92/869701492.db2.gz USGLDHCRQOGCME-UHFFFAOYSA-N 1 0 380.496 3.648 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccc(Br)s1 ZINC000524907185 869741862 /nfs/dbraw/zinc/74/18/62/869741862.db2.gz FJZQDYBAOZZCIG-UHFFFAOYSA-N 1 0 381.295 3.902 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CN2CCN(c3ccccc3)CC2)cc1OC ZINC000462724516 869949302 /nfs/dbraw/zinc/94/93/02/869949302.db2.gz IGPVOQRTLXRGNZ-FQEVSTJZSA-N 1 0 395.547 3.560 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)o2)c1 ZINC000539882077 869964575 /nfs/dbraw/zinc/96/45/75/869964575.db2.gz IZLFXMRGIOJCJN-SFHVURJKSA-N 1 0 384.443 3.623 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N(CC[NH+](C)C)c2ccccc2)cc1OC ZINC000746278648 870160045 /nfs/dbraw/zinc/16/00/45/870160045.db2.gz NMBVXIXJBJZQID-OWBHPGMISA-N 1 0 380.488 3.868 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000920809139 882390090 /nfs/dbraw/zinc/39/00/90/882390090.db2.gz RRVFXISRQLUFPE-NUJGCVRESA-N 1 0 380.492 3.728 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C1CCC(C)(C)CC1 ZINC000446729168 870273638 /nfs/dbraw/zinc/27/36/38/870273638.db2.gz OHNJZLQTMGPYEF-UHFFFAOYSA-N 1 0 388.556 3.852 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CCSc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000538693365 870314349 /nfs/dbraw/zinc/31/43/49/870314349.db2.gz FAWDHALZUPHHTA-HXUWFJFHSA-N 1 0 391.540 3.941 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1Cl ZINC000181223167 870401464 /nfs/dbraw/zinc/40/14/64/870401464.db2.gz WEVKDBJKCFBUSD-FOIQADDNSA-N 1 0 383.879 3.908 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccsc1 ZINC000609108227 870441413 /nfs/dbraw/zinc/44/14/13/870441413.db2.gz VBUQUTOHUBWNFB-LEWJYISDSA-N 1 0 396.560 3.788 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNc2c(C#N)nnc3ccccc32)cc1 ZINC000525365272 870500559 /nfs/dbraw/zinc/50/05/59/870500559.db2.gz SGEZNFMJPCLGOO-UHFFFAOYSA-N 1 0 375.476 3.834 20 30 GHEDRO C=CCN1CC[C@@H]([N@H+]2CCN(c3cccc(C(F)(F)F)c3)C[C@@H]2CCC)C1=O ZINC001192537581 870500595 /nfs/dbraw/zinc/50/05/95/870500595.db2.gz UTTOMOUUNGGJNM-RBUKOAKNSA-N 1 0 395.469 3.783 20 30 GHEDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC001192636148 870582455 /nfs/dbraw/zinc/58/24/55/870582455.db2.gz UGXMXYYXBLJZPL-KRWDZBQOSA-N 1 0 384.549 3.978 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)ccc1S(=O)(=O)C(F)F ZINC000766351577 870625148 /nfs/dbraw/zinc/62/51/48/870625148.db2.gz TUWSPNVAWIEGAX-CHWSQXEVSA-N 1 0 394.443 3.975 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CCC(CCC[NH+](C)C)CC2)c1=S ZINC000766380477 870666965 /nfs/dbraw/zinc/66/69/65/870666965.db2.gz GEINYBMFIVVRSF-UHFFFAOYSA-N 1 0 389.569 3.871 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001192926769 870790942 /nfs/dbraw/zinc/79/09/42/870790942.db2.gz PJTZCASFEBLAFI-IRFCIJBXSA-N 1 0 391.556 3.871 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(CO)c1 ZINC001192938953 870798928 /nfs/dbraw/zinc/79/89/28/870798928.db2.gz RFMLRLZIJMCJGE-SFHVURJKSA-N 1 0 390.572 3.801 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CCO)c2ccccc2)ccc1Cl ZINC000540333719 871003235 /nfs/dbraw/zinc/00/32/35/871003235.db2.gz WSASBNLWWMYWOF-HXUWFJFHSA-N 1 0 385.895 3.608 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cc(OC)c1O ZINC000093009343 882474897 /nfs/dbraw/zinc/47/48/97/882474897.db2.gz JAVFKJDRBCUPJJ-UHFFFAOYSA-N 1 0 398.503 3.734 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000766561332 871104293 /nfs/dbraw/zinc/10/42/93/871104293.db2.gz ZFJCTPGZMPTXQW-RXVVDRJESA-N 1 0 394.515 3.641 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)ccc1OCCO ZINC000540376360 871112341 /nfs/dbraw/zinc/11/23/41/871112341.db2.gz PQCDDQCCMJLCJY-OAHLLOKOSA-N 1 0 393.405 3.787 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000540365159 871123072 /nfs/dbraw/zinc/12/30/72/871123072.db2.gz DTSLMSKRYGLXNN-YLJYHZDGSA-N 1 0 383.467 3.544 20 30 GHEDRO C[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000461896722 871182942 /nfs/dbraw/zinc/18/29/42/871182942.db2.gz YLXVWBMEDJKWHP-OTWHNJEPSA-N 1 0 391.515 3.587 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@@H](COc2ccccc2)c2ccccc2)CCCCC1 ZINC000540417057 871223502 /nfs/dbraw/zinc/22/35/02/871223502.db2.gz JFNOHXNGTRPJLE-NRFANRHFSA-N 1 0 377.488 3.739 20 30 GHEDRO Cn1cc([C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C(C)(C)C)cn1 ZINC000540479513 871360682 /nfs/dbraw/zinc/36/06/82/871360682.db2.gz MFGQMEWNPOSKEJ-IBGZPJMESA-N 1 0 399.564 3.938 20 30 GHEDRO CCCCCCCOC(=O)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001194003187 871425826 /nfs/dbraw/zinc/42/58/26/871425826.db2.gz MUMMLCQSGKTFEH-NHCUHLMSSA-N 1 0 389.540 3.711 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000539184916 871474389 /nfs/dbraw/zinc/47/43/89/871474389.db2.gz JAMLZCBQLBBLFX-MAUKXSAKSA-N 1 0 387.443 3.684 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1OC(F)(F)F ZINC000539293067 871652517 /nfs/dbraw/zinc/65/25/17/871652517.db2.gz TVHJGCBNKNOYSP-UHFFFAOYSA-N 1 0 391.393 3.661 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000539292656 871654015 /nfs/dbraw/zinc/65/40/15/871654015.db2.gz RVFBELUCOYNRRR-UHFFFAOYSA-N 1 0 383.517 3.756 20 30 GHEDRO CC(=O)N1CCC[C@H]([N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C1 ZINC001169629006 871691186 /nfs/dbraw/zinc/69/11/86/871691186.db2.gz FYWLXOHBUGUFAB-RPWUZVMVSA-N 1 0 387.527 3.829 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCc1cccc(Br)c1 ZINC000463426578 871709557 /nfs/dbraw/zinc/70/95/57/871709557.db2.gz OSYZDBQVNHJCNB-CQSZACIVSA-N 1 0 386.293 3.822 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000539332193 871711250 /nfs/dbraw/zinc/71/12/50/871711250.db2.gz PCKDDIJZNKQOGH-MPGHIAIKSA-N 1 0 384.442 3.938 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000133889656 882551144 /nfs/dbraw/zinc/55/11/44/882551144.db2.gz LGLIVZTWFUYJJR-IBGZPJMESA-N 1 0 389.293 3.955 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447585105 871888625 /nfs/dbraw/zinc/88/86/25/871888625.db2.gz IDINKHCTFZACCK-OFNKIYASSA-N 1 0 379.504 3.891 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)C1 ZINC001194723733 871919686 /nfs/dbraw/zinc/91/96/86/871919686.db2.gz MDTZNEUROMOJMV-HBMCJLEFSA-N 1 0 399.535 3.703 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](c3ccco3)N3CCCCC3)CC2)cc1 ZINC000552040997 871920132 /nfs/dbraw/zinc/92/01/32/871920132.db2.gz UNGIECVFPVSZOQ-QFIPXVFZSA-N 1 0 378.520 3.937 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000921075431 882562382 /nfs/dbraw/zinc/56/23/82/882562382.db2.gz VOOKGOKZKAVIDU-GJZGRUSLSA-N 1 0 394.357 3.872 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(C#N)c(F)c3)C2)cc(OC)c1 ZINC000540708384 871949080 /nfs/dbraw/zinc/94/90/80/871949080.db2.gz WHBQGYMUQGFZJT-BEFAXECRSA-N 1 0 383.467 3.640 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776987327 882568012 /nfs/dbraw/zinc/56/80/12/882568012.db2.gz PRWCXGPIDUZZCY-GCJKJVERSA-N 1 0 399.897 3.897 20 30 GHEDRO CCCCCCCCCOC(=O)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001194910954 872026209 /nfs/dbraw/zinc/02/62/09/872026209.db2.gz AGPLSEFRONXPIX-MOPGFXCFSA-N 1 0 390.528 3.501 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@@H]21 ZINC000767039659 872213238 /nfs/dbraw/zinc/21/32/38/872213238.db2.gz GEGCCFNPWOLRIS-QUCCMNQESA-N 1 0 394.544 3.912 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)CCC1 ZINC000526287195 872223778 /nfs/dbraw/zinc/22/37/78/872223778.db2.gz DPCXYKFHXWDRHK-INIZCTEOSA-N 1 0 385.817 3.962 20 30 GHEDRO CCOc1cccc2cc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)oc21 ZINC000182656214 872633524 /nfs/dbraw/zinc/63/35/24/872633524.db2.gz MNHGUZVJVBBBID-HNNXBMFYSA-N 1 0 398.484 3.828 20 30 GHEDRO CC(C)[C@H](CC(F)(F)F)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000527095753 872644370 /nfs/dbraw/zinc/64/43/70/872644370.db2.gz OAIVBDNGWMGZNM-KRWDZBQOSA-N 1 0 384.446 3.608 20 30 GHEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000540982486 872670364 /nfs/dbraw/zinc/67/03/64/872670364.db2.gz AAGDAZNOVCSGCF-YFXJRYMSSA-N 1 0 394.563 3.686 20 30 GHEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001195986899 872787252 /nfs/dbraw/zinc/78/72/52/872787252.db2.gz UUFXDEKIZGMFCR-XUVXKRRUSA-N 1 0 392.515 3.835 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000619623727 872807231 /nfs/dbraw/zinc/80/72/31/872807231.db2.gz OERILUBQJZAJCS-FPWFTKFVSA-N 1 0 389.927 3.802 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000619755767 872967883 /nfs/dbraw/zinc/96/78/83/872967883.db2.gz RXSJRXJCXHHYQQ-AWEZNQCLSA-N 1 0 389.908 3.602 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000619757098 872968072 /nfs/dbraw/zinc/96/80/72/872968072.db2.gz JUKHOEJJDMYYIL-SFHVURJKSA-N 1 0 386.883 3.749 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000619764717 872977934 /nfs/dbraw/zinc/97/79/34/872977934.db2.gz FWROCZYQUIIGEQ-UHFFFAOYSA-N 1 0 396.922 3.672 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102399003 872998976 /nfs/dbraw/zinc/99/89/76/872998976.db2.gz FHRGEULIOQRDJX-UHFFFAOYSA-N 1 0 387.524 3.654 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000619768009 873005201 /nfs/dbraw/zinc/00/52/01/873005201.db2.gz JIDSGGYAGGUZLZ-GOSISDBHSA-N 1 0 391.302 3.967 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000183002988 873071017 /nfs/dbraw/zinc/07/10/17/873071017.db2.gz XKXQIKAKXMXLKZ-OAHLLOKOSA-N 1 0 394.450 3.930 20 30 GHEDRO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001196535184 873187326 /nfs/dbraw/zinc/18/73/26/873187326.db2.gz JBHHTXPMMCLQJK-INIZCTEOSA-N 1 0 396.922 3.793 20 30 GHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000494652545 882707113 /nfs/dbraw/zinc/70/71/13/882707113.db2.gz CSLIIJPZDBCSPU-GDBMZVCRSA-N 1 0 389.546 3.713 20 30 GHEDRO CC[C@@H]1CCCC[C@H]1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000464156832 873298184 /nfs/dbraw/zinc/29/81/84/873298184.db2.gz CKPIAGNINSKCML-NHCUHLMSSA-N 1 0 383.536 3.646 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000134086875 882725911 /nfs/dbraw/zinc/72/59/11/882725911.db2.gz IVASAARPEZDZMF-SZVBFZGTSA-N 1 0 379.426 3.740 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000858016464 882726793 /nfs/dbraw/zinc/72/67/93/882726793.db2.gz MBAPUDJHJFSDKR-QFIPXVFZSA-N 1 0 399.498 3.884 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c(-c2ccccc2)n1 ZINC000527751632 873557551 /nfs/dbraw/zinc/55/75/51/873557551.db2.gz KCADVBYEGPFDIE-QFIPXVFZSA-N 1 0 377.536 3.960 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1C#N ZINC000768945853 873671588 /nfs/dbraw/zinc/67/15/88/873671588.db2.gz MITMDDRTFFIBJM-SFHVURJKSA-N 1 0 377.410 3.978 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC000102914557 873815298 /nfs/dbraw/zinc/81/52/98/873815298.db2.gz BHQOLHUMYGUSMW-UHFFFAOYSA-N 1 0 378.520 3.912 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448714189 873842785 /nfs/dbraw/zinc/84/27/85/873842785.db2.gz OFWCYRUDFNZCSL-GASCZTMLSA-N 1 0 392.341 3.809 20 30 GHEDRO C=CC[C@@H](NC(=O)c1cccc(CN2CCC[N@@H+](C)CC2)c1)c1ccccc1 ZINC001197528689 873857397 /nfs/dbraw/zinc/85/73/97/873857397.db2.gz AYGLMGKPZNUNNN-HSZRJFAPSA-N 1 0 377.532 3.871 20 30 GHEDRO O=C(C[NH2+][C@H](c1cccs1)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000541582627 873872788 /nfs/dbraw/zinc/87/27/88/873872788.db2.gz MSOJHDJJGKUFSN-IBGZPJMESA-N 1 0 392.446 3.976 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000769529426 874136849 /nfs/dbraw/zinc/13/68/49/874136849.db2.gz AYSJWRYEADNUSY-VQIMIIECSA-N 1 0 385.508 3.951 20 30 GHEDRO C#CCN(C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C1CCCC1 ZINC000769530492 874138616 /nfs/dbraw/zinc/13/86/16/874138616.db2.gz LTKBCUYFKJQXHV-GOSISDBHSA-N 1 0 381.442 3.896 20 30 GHEDRO C#CCC1([NH2+]Cc2coc(-c3ccc(I)cc3)n2)CCC1 ZINC001198033565 874189425 /nfs/dbraw/zinc/18/94/25/874189425.db2.gz IXRYYQGKRBANPP-UHFFFAOYSA-N 1 0 392.240 3.982 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001198140488 874230031 /nfs/dbraw/zinc/23/00/31/874230031.db2.gz ILAAMHYIOADSOI-GOSISDBHSA-N 1 0 399.535 3.857 20 30 GHEDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)[nH]1 ZINC000541763568 874231451 /nfs/dbraw/zinc/23/14/51/874231451.db2.gz ROSNEOFJDWVASE-HXUWFJFHSA-N 1 0 387.487 3.943 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)CCO2 ZINC001198260778 874292041 /nfs/dbraw/zinc/29/20/41/874292041.db2.gz OYROZMDVPJGBAI-OLZOCXBDSA-N 1 0 381.501 3.721 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc(N(C)C)cc1 ZINC000775836287 874331519 /nfs/dbraw/zinc/33/15/19/874331519.db2.gz LUYLSETZMJSKJQ-KXBFYZLASA-N 1 0 385.471 3.640 20 30 GHEDRO CN(CCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cc[nH+]cc1 ZINC000541855774 874398742 /nfs/dbraw/zinc/39/87/42/874398742.db2.gz YMSDTXDJBBGEAF-UHFFFAOYSA-N 1 0 399.454 3.671 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCOC23CCCC3)c1C#N ZINC001198506681 874469870 /nfs/dbraw/zinc/46/98/70/874469870.db2.gz DDJDRWXWARXLMO-HXUWFJFHSA-N 1 0 392.503 3.596 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[C@H](SCC)C2)cc1 ZINC000464777921 874473123 /nfs/dbraw/zinc/47/31/23/874473123.db2.gz SFFKDSXZDTZHJU-ICSRJNTNSA-N 1 0 389.565 3.938 20 30 GHEDRO CN(C)c1ccc(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)cc1 ZINC000775882510 874515935 /nfs/dbraw/zinc/51/59/35/874515935.db2.gz UFPJXNZJHDMFKC-UHFFFAOYSA-N 1 0 382.552 3.617 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc1C ZINC001198624335 874555123 /nfs/dbraw/zinc/55/51/23/874555123.db2.gz YHILHIJLURLEMI-PKTZIBPZSA-N 1 0 396.579 3.745 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000770380760 874622083 /nfs/dbraw/zinc/62/20/83/874622083.db2.gz OLLUVCBWXFUYJU-HKUYNNGSSA-N 1 0 386.540 3.914 20 30 GHEDRO C=CC[N@@H+](Cc1cc(C(=O)OC)sc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000464883489 874684385 /nfs/dbraw/zinc/68/43/85/874684385.db2.gz CYCMFHQXACZMAJ-CQSZACIVSA-N 1 0 397.504 3.568 20 30 GHEDRO C=C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000192220660 882854372 /nfs/dbraw/zinc/85/43/72/882854372.db2.gz NDRNYBLTKKMKFT-JTHBVZDNSA-N 1 0 378.516 3.754 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NCC(F)(F)F ZINC000542005053 874749624 /nfs/dbraw/zinc/74/96/24/874749624.db2.gz NLEFJTDYQLBYSI-ZIAGYGMSSA-N 1 0 375.394 3.943 20 30 GHEDRO C=CCn1c(C)nn(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)c1=S ZINC000770685495 874820832 /nfs/dbraw/zinc/82/08/32/874820832.db2.gz QFQUKZXKDMTUHZ-UHFFFAOYSA-N 1 0 377.602 3.700 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1C#N ZINC000528758534 875021207 /nfs/dbraw/zinc/02/12/07/875021207.db2.gz QEKJWTOICKFZKP-IOFRSVQKSA-N 1 0 386.540 3.822 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)cc1OC ZINC000449627633 875149733 /nfs/dbraw/zinc/14/97/33/875149733.db2.gz GRASOOGWZSRKTK-SJKOYZFVSA-N 1 0 384.314 3.926 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(CC#N)cc1 ZINC000542214712 875166879 /nfs/dbraw/zinc/16/68/79/875166879.db2.gz SNHOIJNESJJXGC-UHFFFAOYSA-N 1 0 381.549 3.851 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1)CC1CC1 ZINC000771424561 875232605 /nfs/dbraw/zinc/23/26/05/875232605.db2.gz UWBBFAPEPVDHSM-UHFFFAOYSA-N 1 0 386.515 3.741 20 30 GHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(C)cc2)c1 ZINC000105391715 875280572 /nfs/dbraw/zinc/28/05/72/875280572.db2.gz GSINNKOEIJKWJE-UHFFFAOYSA-O 1 0 395.460 3.713 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000776091837 875323736 /nfs/dbraw/zinc/32/37/36/875323736.db2.gz YQRDHTRDCQJBGB-UHFFFAOYSA-N 1 0 377.488 3.793 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)C[C@H](CC#N)c3ccccc3)c2)CC1 ZINC000476720142 882925746 /nfs/dbraw/zinc/92/57/46/882925746.db2.gz QSKDSCQVWQFZJA-FQEVSTJZSA-N 1 0 376.504 3.855 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000609331160 882928002 /nfs/dbraw/zinc/92/80/02/882928002.db2.gz IDBFFJMUMXYLNM-QFIPXVFZSA-N 1 0 395.503 3.931 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000776147711 875581950 /nfs/dbraw/zinc/58/19/50/875581950.db2.gz ALTFZWMEPOLMEB-YADHBBJMSA-N 1 0 378.520 3.909 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)cc2)ccn1 ZINC000529103345 875616905 /nfs/dbraw/zinc/61/69/05/875616905.db2.gz MVJQRZFDBAKHGX-LJQANCHMSA-N 1 0 391.475 3.884 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001201298020 875617045 /nfs/dbraw/zinc/61/70/45/875617045.db2.gz JFHIZYVNTYRMGM-HXUWFJFHSA-N 1 0 395.478 3.966 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001201297483 875617386 /nfs/dbraw/zinc/61/73/86/875617386.db2.gz HMEXZVDSOGPRHN-HKUYNNGSSA-N 1 0 395.478 3.727 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000271839372 875655952 /nfs/dbraw/zinc/65/59/52/875655952.db2.gz GOIAMVZPNPXNQA-UHFFFAOYSA-N 1 0 385.515 3.541 20 30 GHEDRO C[NH+](C)Cc1cccc(Nc2cc(C#N)ccc2I)c1 ZINC001201403228 875659210 /nfs/dbraw/zinc/65/92/10/875659210.db2.gz TYIUMCBJYGQDDW-UHFFFAOYSA-N 1 0 377.229 3.968 20 30 GHEDRO CN(C)c1cc[nH+]cc1C=NN1C(=S)N=NC1Cc1cccc2ccccc21 ZINC000776179275 875672798 /nfs/dbraw/zinc/67/27/98/875672798.db2.gz PQCUDKGIZPDPPO-UHFFFAOYSA-N 1 0 388.500 3.654 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2ccc(OC)c(SC(F)(F)F)c2)CC1 ZINC000772113618 875703674 /nfs/dbraw/zinc/70/36/74/875703674.db2.gz PECMPRJIPFFACL-UHFFFAOYSA-N 1 0 387.423 3.696 20 30 GHEDRO N#Cc1cnn(C2CCOCC2)c1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201475023 875727890 /nfs/dbraw/zinc/72/78/90/875727890.db2.gz PKBVCVVAQGLLSD-YADHBBJMSA-N 1 0 389.503 3.839 20 30 GHEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000491558641 875801741 /nfs/dbraw/zinc/80/17/41/875801741.db2.gz SRDUAAGOPWEIGE-SFHVURJKSA-N 1 0 392.503 3.890 20 30 GHEDRO COCc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529212436 875839209 /nfs/dbraw/zinc/83/92/09/875839209.db2.gz JONMUECQSIZBJB-IBGZPJMESA-N 1 0 392.503 3.690 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450060913 875883824 /nfs/dbraw/zinc/88/38/24/875883824.db2.gz OKVWLNGKFYMLKF-SIKLNZKXSA-N 1 0 378.516 3.963 20 30 GHEDRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000777015235 882974020 /nfs/dbraw/zinc/97/40/20/882974020.db2.gz UGDWODBEVLADRM-GDIGMMSISA-N 1 0 378.394 3.774 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1C#N ZINC000772452439 875945054 /nfs/dbraw/zinc/94/50/54/875945054.db2.gz IQTPEFRVISZUGP-UHFFFAOYSA-N 1 0 394.519 3.984 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)NC2CC[NH+](CC)CC2)c1C ZINC000772411456 875947298 /nfs/dbraw/zinc/94/72/98/875947298.db2.gz NQMULQYJAFJWEQ-UHFFFAOYSA-N 1 0 398.617 3.623 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](COc2ccccc2F)C(C)(C)C)CC1 ZINC000491837357 875981163 /nfs/dbraw/zinc/98/11/63/875981163.db2.gz KTJNKLOPOBRAPN-LJQANCHMSA-N 1 0 377.504 3.569 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3Cn3ccnc3)CC2)cc1 ZINC000271916119 876030766 /nfs/dbraw/zinc/03/07/66/876030766.db2.gz YUIACSSPPKAWFU-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO C=C[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000494721802 882991980 /nfs/dbraw/zinc/99/19/80/882991980.db2.gz WLUSIAAYTMSFRS-NRFANRHFSA-N 1 0 384.568 3.647 20 30 GHEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271941407 876092948 /nfs/dbraw/zinc/09/29/48/876092948.db2.gz MCALPMGYCOKKAT-INIZCTEOSA-N 1 0 395.478 3.590 20 30 GHEDRO COC(=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1Cl ZINC000450263430 876184615 /nfs/dbraw/zinc/18/46/15/876184615.db2.gz WUYICRDXGNJOMT-UHFFFAOYSA-N 1 0 383.879 3.711 20 30 GHEDRO N#Cc1cc(Br)cnc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000450286788 876201670 /nfs/dbraw/zinc/20/16/70/876201670.db2.gz IVXAARBJQVHPPS-ZDUSSCGKSA-N 1 0 391.338 3.523 20 30 GHEDRO CC[C@H](NC(=S)C(C(=O)c1cnn(C)c1)[n+]1cccc(C)c1)c1cccs1 ZINC000151936285 876204342 /nfs/dbraw/zinc/20/43/42/876204342.db2.gz ITSCAEJHJJDOTL-INIZCTEOSA-O 1 0 399.565 3.757 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(c3ncc(Br)cc3C#N)C2)CC1 ZINC000450292719 876234214 /nfs/dbraw/zinc/23/42/14/876234214.db2.gz IPOIPGKNXZWTQG-HNNXBMFYSA-N 1 0 377.330 3.664 20 30 GHEDRO CC(C)C[C@@H](CNc1nc2c(cc1C#N)COCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000450338716 876291207 /nfs/dbraw/zinc/29/12/07/876291207.db2.gz YUSQIMZVDMUEAG-UWJYYQICSA-N 1 0 378.520 3.625 20 30 GHEDRO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCCN(c2nccs2)CC1 ZINC000109149501 876437234 /nfs/dbraw/zinc/43/72/34/876437234.db2.gz CMOHTZSRBHLUML-HKWRFOASSA-N 1 0 396.560 3.536 20 30 GHEDRO O=C(NCC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)OCc1ccccc1 ZINC000786110725 876453174 /nfs/dbraw/zinc/45/31/74/876453174.db2.gz RDAGQKIFKNWZAA-UHFFFAOYSA-N 1 0 380.463 3.816 20 30 GHEDRO C#CC[C@H](COC)[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000858335609 883034348 /nfs/dbraw/zinc/03/43/48/883034348.db2.gz ZZFPNGYMRHKOCL-WCQYABFASA-N 1 0 376.806 3.704 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)NC1CCN(CC#N)CC1)C1CCCCC1 ZINC000609338492 883050481 /nfs/dbraw/zinc/05/04/81/883050481.db2.gz NMHAENNDWCQJMN-UHFFFAOYSA-N 1 0 383.540 3.561 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000850502095 876976636 /nfs/dbraw/zinc/97/66/36/876976636.db2.gz KKXPWWUNGKZHGC-KURKYZTESA-N 1 0 384.586 3.690 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)CC2(C#N)CCCCC2)cc1 ZINC000850846522 877219801 /nfs/dbraw/zinc/21/98/01/877219801.db2.gz PHFJGEAIZHBSQG-UHFFFAOYSA-N 1 0 385.508 3.528 20 30 GHEDRO C#CC[N@@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 ZINC000787250326 877266630 /nfs/dbraw/zinc/26/66/30/877266630.db2.gz TXKXQOWVTUEWSY-OCCSQVGLSA-N 1 0 392.215 3.521 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc2ccccc2n1CC#N ZINC000610121848 877435451 /nfs/dbraw/zinc/43/54/51/877435451.db2.gz FZNKXEYUCFAINA-LJQANCHMSA-N 1 0 386.499 3.901 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000610132587 877447325 /nfs/dbraw/zinc/44/73/25/877447325.db2.gz HKIUFXMIZMOFNZ-FQEVSTJZSA-N 1 0 384.451 3.766 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000451143931 877449904 /nfs/dbraw/zinc/44/99/04/877449904.db2.gz GTXZCTHVXHCDIC-UHFFFAOYSA-N 1 0 375.350 3.674 20 30 GHEDRO CC[N@H+](CCCC(=O)NCc1ccc(C#N)c(F)c1)[C@H](C)Cc1ccc(O)cc1 ZINC001183056216 912251243 /nfs/dbraw/zinc/25/12/43/912251243.db2.gz BJBHMKPUTPCADW-QGZVFWFLSA-N 1 0 397.494 3.752 20 30 GHEDRO O=C(OCC#Cc1ccc(Br)cn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000851275043 877563860 /nfs/dbraw/zinc/56/38/60/877563860.db2.gz CTQZFDBLTCZLEQ-UHFFFAOYSA-N 1 0 399.288 3.648 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000237575405 877623302 /nfs/dbraw/zinc/62/33/02/877623302.db2.gz REWQLNXUDJDTKF-PBHICJAKSA-N 1 0 394.393 3.526 20 30 GHEDRO [NH3+][C@@H]1CN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1F ZINC000851648516 877853482 /nfs/dbraw/zinc/85/34/82/877853482.db2.gz JDBLRMDPDJAHDE-DKZVVXNFSA-N 1 0 384.295 3.635 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nc1 ZINC000492970553 877909579 /nfs/dbraw/zinc/90/95/79/877909579.db2.gz CBDNDKPDWDNVSX-RTBURBONSA-N 1 0 392.547 3.509 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(C#N)c1C ZINC000179735732 877929380 /nfs/dbraw/zinc/92/93/80/877929380.db2.gz MWHMLFUCTUVIFA-HXUWFJFHSA-N 1 0 397.500 3.687 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1Cl ZINC000179736629 877930159 /nfs/dbraw/zinc/93/01/59/877930159.db2.gz SBZORINCZSTYAP-OAQYLSRUSA-N 1 0 397.862 3.662 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179747744 877968958 /nfs/dbraw/zinc/96/89/58/877968958.db2.gz IZQWPMKWIGQYPG-NRFANRHFSA-N 1 0 397.862 3.662 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000451476834 877989956 /nfs/dbraw/zinc/98/99/56/877989956.db2.gz VVENGZCGJGXBOX-ROUUACIJSA-N 1 0 375.900 3.524 20 30 GHEDRO C=C(C)Cn1c(COC)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000642724045 912301315 /nfs/dbraw/zinc/30/13/15/912301315.db2.gz FXFALSLJWRBQMY-UYAOXDASSA-N 1 0 383.540 3.662 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000852004315 878026640 /nfs/dbraw/zinc/02/66/40/878026640.db2.gz YHLZCAPUPFWAIO-JOCHJYFZSA-N 1 0 377.488 3.739 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1onc(C)c1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC001183147483 912303691 /nfs/dbraw/zinc/30/36/91/912303691.db2.gz CGONIZXXTGUYEC-OAHLLOKOSA-N 1 0 384.480 3.535 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245547745 878085824 /nfs/dbraw/zinc/08/58/24/878085824.db2.gz MZQKQJXDOUFRSN-NUJGCVRESA-N 1 0 375.538 3.502 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000667029046 878087676 /nfs/dbraw/zinc/08/76/76/878087676.db2.gz NYSHWDXVZKBJLC-OAQYLSRUSA-N 1 0 379.504 3.694 20 30 GHEDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000451551670 878133654 /nfs/dbraw/zinc/13/36/54/878133654.db2.gz LVRVLFWMCACFSY-SFHVURJKSA-N 1 0 389.565 3.964 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](CC)CC1 ZINC000460560569 878186913 /nfs/dbraw/zinc/18/69/13/878186913.db2.gz VDXNLGFFPPSYDP-INIZCTEOSA-N 1 0 389.931 3.790 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccc(OC)cc3)s2)CC1 ZINC000176337868 878219017 /nfs/dbraw/zinc/21/90/17/878219017.db2.gz MUWLDJLWDJUJAV-UHFFFAOYSA-N 1 0 385.533 3.873 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]C(C)(C)c1cccc(C#N)c1)O2 ZINC000852353838 878273035 /nfs/dbraw/zinc/27/30/35/878273035.db2.gz PRJGMDJSLGTUJK-GOSISDBHSA-N 1 0 385.508 3.551 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000451669356 878289429 /nfs/dbraw/zinc/28/94/29/878289429.db2.gz AJZWFJQFBGHSLV-GIWBLDEGSA-N 1 0 382.479 3.697 20 30 GHEDRO N#Cc1cccc(CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000530674780 878305291 /nfs/dbraw/zinc/30/52/91/878305291.db2.gz FBRHZHYDUXPDFA-UHFFFAOYSA-N 1 0 381.907 3.783 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852472640 878348662 /nfs/dbraw/zinc/34/86/62/878348662.db2.gz FUIDEDUHZGZNLC-MOPGFXCFSA-N 1 0 393.453 3.908 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852474248 878357121 /nfs/dbraw/zinc/35/71/21/878357121.db2.gz VGSNOGYQFLDILZ-ZWKOTPCHSA-N 1 0 379.426 3.714 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1 ZINC000852475089 878358878 /nfs/dbraw/zinc/35/88/78/878358878.db2.gz XXHUVPHGCYKBKK-ZWKOTPCHSA-N 1 0 379.426 3.714 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1F ZINC000852476196 878360578 /nfs/dbraw/zinc/36/05/78/878360578.db2.gz HTWORVFSCCKEFI-AEFFLSMTSA-N 1 0 397.416 3.853 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000852591854 878445674 /nfs/dbraw/zinc/44/56/74/878445674.db2.gz ARTGVAYPYRXTRE-WIYYLYMNSA-N 1 0 390.487 3.505 20 30 GHEDRO CO[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000451834824 878546613 /nfs/dbraw/zinc/54/66/13/878546613.db2.gz ANQRZSQCRUDBEX-ATZDWAIDSA-N 1 0 387.549 3.766 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@H](O)c1ccc(Cl)cc1 ZINC000852731398 878561195 /nfs/dbraw/zinc/56/11/95/878561195.db2.gz IXYZBCCSOYAZOC-KFKAGJAMSA-N 1 0 391.943 3.719 20 30 GHEDRO C=C(C)COCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000537956976 878585904 /nfs/dbraw/zinc/58/59/04/878585904.db2.gz MYCUCKBCMAVLBT-SFHVURJKSA-N 1 0 394.581 3.931 20 30 GHEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](CCC#N)c3ccccc3)CC2)cc1 ZINC000537947235 878607720 /nfs/dbraw/zinc/60/77/20/878607720.db2.gz ODHVOAUNKXQJFJ-JOCHJYFZSA-N 1 0 397.544 3.783 20 30 GHEDRO COc1ccccc1[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000852845239 878631807 /nfs/dbraw/zinc/63/18/07/878631807.db2.gz DZMLNHPNTQZHQF-JOCHJYFZSA-N 1 0 382.891 3.557 20 30 GHEDRO CC1CN(Cc2ccc(F)c(C#N)c2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000451892545 878632912 /nfs/dbraw/zinc/63/29/12/878632912.db2.gz RFHPYQGKRNYMGY-UHFFFAOYSA-N 1 0 380.442 3.662 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000460844260 878661879 /nfs/dbraw/zinc/66/18/79/878661879.db2.gz COGYMMYAGRPLIU-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789315409 878800717 /nfs/dbraw/zinc/80/07/17/878800717.db2.gz KHUPXRNQEHMSIM-MRXNPFEDSA-N 1 0 379.932 3.639 20 30 GHEDRO C#C[C@H]([NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C)C1CCOCC1 ZINC000853115015 878822052 /nfs/dbraw/zinc/82/20/52/878822052.db2.gz CEDCRSVBXMPJFF-XLIONFOSSA-N 1 0 379.928 3.530 20 30 GHEDRO COc1cc(C#N)ccc1C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452027427 878848004 /nfs/dbraw/zinc/84/80/04/878848004.db2.gz WWXLKGLWXRQDIZ-RBUKOAKNSA-N 1 0 389.421 3.687 20 30 GHEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000452034922 878858996 /nfs/dbraw/zinc/85/89/96/878858996.db2.gz MIEXYBXQWKLBPH-LZLYRXPVSA-N 1 0 375.538 3.814 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452063335 878889373 /nfs/dbraw/zinc/88/93/73/878889373.db2.gz WFZHHHQRFQGHPN-MRXNPFEDSA-N 1 0 375.519 3.503 20 30 GHEDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc2)c1 ZINC000538201823 878988888 /nfs/dbraw/zinc/98/88/88/878988888.db2.gz QKRNFUUZGOLOOU-LJQANCHMSA-N 1 0 379.504 3.987 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CSCCS1 ZINC000925240918 878994574 /nfs/dbraw/zinc/99/45/74/878994574.db2.gz DWFYLVURAXYMAX-HZPDHXFCSA-N 1 0 399.626 3.744 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000538212527 879026606 /nfs/dbraw/zinc/02/66/06/879026606.db2.gz NSIKGTAQYUOREU-HRAATJIYSA-N 1 0 385.458 3.846 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]CC1CCN(Cc2csc(CC)n2)CC1 ZINC000111397531 879087302 /nfs/dbraw/zinc/08/73/02/879087302.db2.gz ZQXIFQIGROIYIR-UHFFFAOYSA-N 1 0 383.561 3.719 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2cccnc2)[n+]2ccccc2)s1 ZINC000068866208 879111080 /nfs/dbraw/zinc/11/10/80/879111080.db2.gz JGULYKPBSAYVMA-UHFFFAOYSA-O 1 0 382.534 3.510 20 30 GHEDRO C#Cc1cccc(NC(=S)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000761506302 879209531 /nfs/dbraw/zinc/20/95/31/879209531.db2.gz XGCQJXGIWUNOHD-HXUWFJFHSA-N 1 0 381.570 3.572 20 30 GHEDRO C#C[C@H](NC(=O)NCc1cccc(C[N@@H+](CC)CCCC)c1)C1CCOCC1 ZINC000853857748 879336305 /nfs/dbraw/zinc/33/63/05/879336305.db2.gz CVTCXEADMSLOCB-QFIPXVFZSA-N 1 0 385.552 3.536 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000180823120 879389375 /nfs/dbraw/zinc/38/93/75/879389375.db2.gz GUMFDBFTMGQRAJ-CXVUKDAWSA-N 1 0 393.535 3.842 20 30 GHEDRO CC(C)N1C(=O)C[C@@H]([NH2+]Cc2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000617252593 879534988 /nfs/dbraw/zinc/53/49/88/879534988.db2.gz JDCDONYYQQGURP-UYAOXDASSA-N 1 0 386.858 3.586 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](C(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C1 ZINC001183372283 912487952 /nfs/dbraw/zinc/48/79/52/912487952.db2.gz FDRHWAUIVSGTGB-PTUXOGIPSA-N 1 0 387.527 3.685 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000493982441 879814138 /nfs/dbraw/zinc/81/41/38/879814138.db2.gz ALTWMDSGACQFHU-IAGOWNOFSA-N 1 0 396.487 3.539 20 30 GHEDRO Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000531427685 879817125 /nfs/dbraw/zinc/81/71/25/879817125.db2.gz IRBFMGJKOKRWPK-UHFFFAOYSA-N 1 0 394.523 3.772 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000285923994 912502268 /nfs/dbraw/zinc/50/22/68/912502268.db2.gz CNDRDVZCGSHZLA-UHFFFAOYSA-N 1 0 398.894 3.614 20 30 GHEDRO CCc1ccc([C@@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+](C)C)cc1 ZINC000461449797 879888068 /nfs/dbraw/zinc/88/80/68/879888068.db2.gz ZAETZVUGDCSXKT-OAQYLSRUSA-N 1 0 389.459 3.714 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000247152233 879931814 /nfs/dbraw/zinc/93/18/14/879931814.db2.gz RZZOESPLDCNIGK-FCHUYYIVSA-N 1 0 396.579 3.889 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cc(F)cc(CC#N)c3)nc3ccc(C)cc3n12 ZINC001170150581 880276708 /nfs/dbraw/zinc/27/67/08/880276708.db2.gz ZHLNVIRUAHPUEF-UHFFFAOYSA-N 1 0 388.450 3.801 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(OCC[NH+](CC)CC)c(OC)c2)no1 ZINC000453078061 880430088 /nfs/dbraw/zinc/43/00/88/880430088.db2.gz NNDAPJZJFWJNGP-SJORKVTESA-N 1 0 387.480 3.524 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@]2(C1)OCc1ccccc12)C(C)C ZINC000185156560 880492340 /nfs/dbraw/zinc/49/23/40/880492340.db2.gz DPLABCYCQKXFNY-GMAHTHKFSA-N 1 0 383.536 3.526 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)cc1 ZINC000113323798 880515850 /nfs/dbraw/zinc/51/58/50/880515850.db2.gz KIYXMXBAJYBCSH-UHFFFAOYSA-N 1 0 383.495 3.946 20 30 GHEDRO C=C(C)COCC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000531883891 880678993 /nfs/dbraw/zinc/67/89/93/880678993.db2.gz HXXJKGBDQYVNRQ-UHFFFAOYSA-N 1 0 378.314 3.934 20 30 GHEDRO C=C(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc(F)c(F)c1 ZINC000185828271 880703143 /nfs/dbraw/zinc/70/31/43/880703143.db2.gz KTLYFNLHRFBDFQ-FQEVSTJZSA-N 1 0 388.462 3.750 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791822471 880716775 /nfs/dbraw/zinc/71/67/75/880716775.db2.gz IIJBZZMIGIWOAR-IBGZPJMESA-N 1 0 388.471 3.502 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000791785222 880720152 /nfs/dbraw/zinc/72/01/52/880720152.db2.gz QBOCOBXYYXSAGR-QXMHVHEDSA-N 1 0 388.515 3.988 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CC1 ZINC000791903608 880769130 /nfs/dbraw/zinc/76/91/30/880769130.db2.gz PRMUZYBEKSLYTA-UHFFFAOYSA-N 1 0 395.891 3.770 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000453326080 880798176 /nfs/dbraw/zinc/79/81/76/880798176.db2.gz NBXYZLFHGXMMAM-KRWDZBQOSA-N 1 0 376.504 3.832 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000453411839 880876233 /nfs/dbraw/zinc/87/62/33/880876233.db2.gz DOUGSBPQKRJGTK-NHCUHLMSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453445675 880909955 /nfs/dbraw/zinc/90/99/55/880909955.db2.gz NTDVSOXFIJHMCS-UHFFFAOYSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453447376 880915426 /nfs/dbraw/zinc/91/54/26/880915426.db2.gz AVRVTIFAIYTHOR-UHFFFAOYSA-N 1 0 392.551 3.778 20 30 GHEDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000286195398 912621420 /nfs/dbraw/zinc/62/14/20/912621420.db2.gz RKWJTYIMBUYHGB-QHCPKHFHSA-N 1 0 379.504 3.637 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc(OC)c1O ZINC000186593771 880929103 /nfs/dbraw/zinc/92/91/03/880929103.db2.gz YXWUZNKMOXVDDN-UHFFFAOYSA-N 1 0 385.479 3.838 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC)C1CCOCC1 ZINC000856108304 880965224 /nfs/dbraw/zinc/96/52/24/880965224.db2.gz GRRVIMBYKUMWIS-RTBURBONSA-N 1 0 396.453 3.633 20 30 GHEDRO COc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ccc1C#N ZINC000856169307 881005570 /nfs/dbraw/zinc/00/55/70/881005570.db2.gz KTBPZXUMCYOAHW-OAQYLSRUSA-N 1 0 389.499 3.599 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000114017014 881056386 /nfs/dbraw/zinc/05/63/86/881056386.db2.gz CHBOAOZZPCGGTL-PZJWPPBQSA-N 1 0 398.482 3.609 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000114038151 881059752 /nfs/dbraw/zinc/05/97/52/881059752.db2.gz ZBFMSNZAASIWGJ-LJQANCHMSA-N 1 0 386.540 3.631 20 30 GHEDRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)c(C#N)c2)cn1 ZINC000792375862 881062518 /nfs/dbraw/zinc/06/25/18/881062518.db2.gz DVHDKABLLZXWJC-JOCHJYFZSA-N 1 0 378.451 3.650 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3Cl)c2CC)CC1 ZINC000792484620 881140138 /nfs/dbraw/zinc/14/01/38/881140138.db2.gz LDGKENBLOIBUQT-UHFFFAOYSA-N 1 0 387.915 3.860 20 30 GHEDRO CCn1cnc2c(c1=O)CCN(CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000286255437 912654066 /nfs/dbraw/zinc/65/40/66/912654066.db2.gz SKWJTEJPDGMUJR-UHFFFAOYSA-N 1 0 398.510 3.521 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1OCCCC#N ZINC000119971419 881234586 /nfs/dbraw/zinc/23/45/86/881234586.db2.gz MOGHYIPCRASKFG-QGZVFWFLSA-N 1 0 391.475 3.809 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(Cl)cc1 ZINC000761671139 883308003 /nfs/dbraw/zinc/30/80/03/883308003.db2.gz YQVCOKQFYWKAMV-KRWDZBQOSA-N 1 0 390.846 3.806 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761673200 883316712 /nfs/dbraw/zinc/31/67/12/883316712.db2.gz CUSBUVRSCLUPJF-QAPCUYQASA-N 1 0 382.439 3.685 20 30 GHEDRO COc1ccc(C[NH2+]CC2(N(C)C)Cc3ccccc3C2)cc1OCCCC#N ZINC000610271158 883318011 /nfs/dbraw/zinc/31/80/11/883318011.db2.gz XHXJOLPKAFRIFF-UHFFFAOYSA-N 1 0 393.531 3.567 20 30 GHEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccccc1Cl ZINC000609594218 883370257 /nfs/dbraw/zinc/37/02/57/883370257.db2.gz DEOKRJHPJWKVCB-IBGZPJMESA-N 1 0 385.920 3.883 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000804859589 883401915 /nfs/dbraw/zinc/40/19/15/883401915.db2.gz SFFPAQFAPWTXBF-QZTJIDSGSA-N 1 0 389.858 3.883 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000858859380 883409275 /nfs/dbraw/zinc/40/92/75/883409275.db2.gz KJGWILDLDDFVJJ-UHFFFAOYSA-N 1 0 391.302 3.651 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000476937233 883435163 /nfs/dbraw/zinc/43/51/63/883435163.db2.gz JUOOLJUJSMCIAN-UHFFFAOYSA-N 1 0 399.535 3.520 20 30 GHEDRO [NH2+]=C(NCc1ncc(-c2ccccc2)cn1)Nc1ccccc1OC(F)(F)F ZINC000185591879 883561207 /nfs/dbraw/zinc/56/12/07/883561207.db2.gz SSASWDFCIGLJOG-UHFFFAOYSA-N 1 0 387.365 3.969 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195619837 883674743 /nfs/dbraw/zinc/67/47/43/883674743.db2.gz WMYHZRSTGKPHDM-MRXNPFEDSA-N 1 0 381.442 3.621 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000859237745 883687592 /nfs/dbraw/zinc/68/75/92/883687592.db2.gz WDZYXSOPXUSLPC-BBRMVZONSA-N 1 0 380.366 3.547 20 30 GHEDRO N#CC[C@H](CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000477108725 883728592 /nfs/dbraw/zinc/72/85/92/883728592.db2.gz KHKMYBCXJYTOJA-FGZHOGPDSA-N 1 0 393.556 3.808 20 30 GHEDRO Cc1ccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1C#N ZINC000859352264 883767343 /nfs/dbraw/zinc/76/73/43/883767343.db2.gz RJDVCWODJUZLDH-GOSISDBHSA-N 1 0 393.453 3.880 20 30 GHEDRO Cc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000609887085 883797165 /nfs/dbraw/zinc/79/71/65/883797165.db2.gz MHDIXSUQRXLUFW-SFHVURJKSA-N 1 0 393.487 3.747 20 30 GHEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000194395186 883801099 /nfs/dbraw/zinc/80/10/99/883801099.db2.gz SQSDNAWDGFBQSJ-KDURUIRLSA-N 1 0 394.515 3.791 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1 ZINC000859587069 883915931 /nfs/dbraw/zinc/91/59/31/883915931.db2.gz XEBRYVBPPNBBHK-RDPSFJRHSA-N 1 0 391.515 3.614 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000805793866 884082548 /nfs/dbraw/zinc/08/25/48/884082548.db2.gz LEFNGTQQHJEEEK-JOCHJYFZSA-N 1 0 385.508 3.812 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080165118 884192676 /nfs/dbraw/zinc/19/26/76/884192676.db2.gz XGJDADLDQMZXSU-AVRDEDQJSA-N 1 0 376.504 3.753 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)OC(C)(C)C)cc1C#N ZINC000860038061 884280415 /nfs/dbraw/zinc/28/04/15/884280415.db2.gz NBIDRSXIYDCFHF-FFGOWVMKSA-N 1 0 397.519 3.644 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000487815215 884296398 /nfs/dbraw/zinc/29/63/98/884296398.db2.gz HHBLTPAVKHSSDK-STQMWFEESA-N 1 0 379.302 3.563 20 30 GHEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000193302917 884337140 /nfs/dbraw/zinc/33/71/40/884337140.db2.gz DDVAGQMDYCVHLY-ZBFHGGJFSA-N 1 0 379.426 3.982 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)CC2)c1 ZINC000795781505 912815232 /nfs/dbraw/zinc/81/52/32/912815232.db2.gz QXZHXMCDDCZGDM-UHFFFAOYSA-N 1 0 383.511 3.890 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 ZINC000102783269 884452563 /nfs/dbraw/zinc/45/25/63/884452563.db2.gz NUFXVGPAEHFIRA-UHFFFAOYSA-N 1 0 389.455 3.722 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495069836 884495102 /nfs/dbraw/zinc/49/51/02/884495102.db2.gz UWKJLNHTHZJDQZ-QRWLVFNGSA-N 1 0 393.936 3.607 20 30 GHEDRO CN(N=Cc1ccc(OCC[NH+]2CCCC2)cc1)C(=S)NCc1ccccc1 ZINC000914692747 884524919 /nfs/dbraw/zinc/52/49/19/884524919.db2.gz WKQQUJJSSZMQSY-UHFFFAOYSA-N 1 0 396.560 3.502 20 30 GHEDRO O=C(C=NOCc1ccc(C[NH+]2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000842016673 884538822 /nfs/dbraw/zinc/53/88/22/884538822.db2.gz PWNPBRFVEWNEJF-UHFFFAOYSA-N 1 0 396.447 3.722 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(F)cc1OCC#N)[NH+](C)C ZINC000806349538 884611029 /nfs/dbraw/zinc/61/10/29/884611029.db2.gz QAMSHAQFVOJOCO-QRWLVFNGSA-N 1 0 384.455 3.849 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3csc(-c4cccs4)n3)CC2)nc1 ZINC000103171106 884812046 /nfs/dbraw/zinc/81/20/46/884812046.db2.gz MRHSZTKIQHYSSX-UHFFFAOYSA-N 1 0 381.530 3.897 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000806562032 884814122 /nfs/dbraw/zinc/81/41/22/884814122.db2.gz BIEBAGLNRRMACV-UHFFFAOYSA-N 1 0 389.297 3.769 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(Br)c(C)cc3F)CC2)C1=O ZINC001275261744 912867671 /nfs/dbraw/zinc/86/76/71/912867671.db2.gz MOMCODHBIXUNJK-UHFFFAOYSA-N 1 0 395.316 3.897 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccnc2ccccc12 ZINC000117610370 884836567 /nfs/dbraw/zinc/83/65/67/884836567.db2.gz SUVRPTIMLNKPTI-VAWYXSNFSA-N 1 0 384.483 3.710 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604693 884856623 /nfs/dbraw/zinc/85/66/23/884856623.db2.gz GZILAYNOFXCVKG-AOOOYVTPSA-N 1 0 385.333 3.621 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001183887855 912873577 /nfs/dbraw/zinc/87/35/77/912873577.db2.gz PLIMAVUXWLVBJV-UHFFFAOYSA-N 1 0 378.520 3.615 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000106036557 884936438 /nfs/dbraw/zinc/93/64/38/884936438.db2.gz KQORCZJGNCOOEF-UHFFFAOYSA-N 1 0 395.478 3.848 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000806786918 884986505 /nfs/dbraw/zinc/98/65/05/884986505.db2.gz ZFGHULCCSSYLLF-UHFFFAOYSA-N 1 0 391.515 3.506 20 30 GHEDRO C[C@]1(Br)C[C@H]1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000860856041 885055404 /nfs/dbraw/zinc/05/54/04/885055404.db2.gz DHHLCZALOCKSLM-WMZOPIPTSA-N 1 0 391.309 3.509 20 30 GHEDRO CCc1[nH]nc(Cl)c1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000860856677 885056431 /nfs/dbraw/zinc/05/64/31/885056431.db2.gz KZLYUVLJGVFTIL-UHFFFAOYSA-N 1 0 386.883 3.588 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460367002 885065198 /nfs/dbraw/zinc/06/51/98/885065198.db2.gz BOMDSRODBOYUID-RBUKOAKNSA-N 1 0 392.551 3.776 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)C(C)(C)c3ccc(C#N)cc3)c2)CC1 ZINC000860914592 885096050 /nfs/dbraw/zinc/09/60/50/885096050.db2.gz YQYHSWJBSMWLKZ-UHFFFAOYSA-N 1 0 376.504 3.616 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)C(C)C ZINC000914879465 885100192 /nfs/dbraw/zinc/10/01/92/885100192.db2.gz HXKJSDHHQIJGCT-LJQANCHMSA-N 1 0 380.492 3.679 20 30 GHEDRO COc1cc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)ccc1OC(=O)C1CC1 ZINC001183919018 912906849 /nfs/dbraw/zinc/90/68/49/912906849.db2.gz DZUMXCOBTYJBKI-UHFFFAOYSA-N 1 0 378.472 3.993 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460390580 885274221 /nfs/dbraw/zinc/27/42/21/885274221.db2.gz SNSJYQMHASFKKF-MSOLQXFVSA-N 1 0 390.535 3.988 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000556544628 885300568 /nfs/dbraw/zinc/30/05/68/885300568.db2.gz GAIGLFCAALAVKH-CXAGYDPISA-N 1 0 380.330 3.698 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001130895316 885336558 /nfs/dbraw/zinc/33/65/58/885336558.db2.gz MEDVROKESCEPKA-FQEVSTJZSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000537560137 885398529 /nfs/dbraw/zinc/39/85/29/885398529.db2.gz BCCOYGXUNQIMTH-XXBNENTESA-N 1 0 383.536 3.643 20 30 GHEDRO N#Cc1cccc(C[NH2+]Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)n1 ZINC001183972229 912932540 /nfs/dbraw/zinc/93/25/40/912932540.db2.gz PADOMMLLTKGHBF-UHFFFAOYSA-N 1 0 375.382 3.836 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000609295946 885424498 /nfs/dbraw/zinc/42/44/98/885424498.db2.gz FSIRXJADXFDRSM-QHCPKHFHSA-N 1 0 388.515 3.772 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000131044256 885435657 /nfs/dbraw/zinc/43/56/57/885435657.db2.gz BZBCPSKQIJYDMW-BAGYTPMASA-N 1 0 382.552 3.836 20 30 GHEDRO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)C[C@H](O)COc1cccc2ccccc21 ZINC000191182234 885590840 /nfs/dbraw/zinc/59/08/40/885590840.db2.gz MWJTUWPWTOXVNJ-NRFANRHFSA-N 1 0 377.488 3.700 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)c2ccccc2OCC#N)[NH+](C)C)cc1 ZINC000807726910 885654135 /nfs/dbraw/zinc/65/41/35/885654135.db2.gz TVDSSQFLIYBYEC-NRFANRHFSA-N 1 0 379.504 3.820 20 30 GHEDRO COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000532474388 885689500 /nfs/dbraw/zinc/68/95/00/885689500.db2.gz LDSUDKPHRISRJG-UHFFFAOYSA-N 1 0 391.515 3.673 20 30 GHEDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC#N)c3)c2C1 ZINC000454026283 885696755 /nfs/dbraw/zinc/69/67/55/885696755.db2.gz KECZLBROOFKRHQ-INIZCTEOSA-N 1 0 390.487 3.690 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc1-c1cccnc1 ZINC000153473091 885782861 /nfs/dbraw/zinc/78/28/61/885782861.db2.gz IGDDTEZKCVPZLI-IBGZPJMESA-N 1 0 398.580 3.570 20 30 GHEDRO Cc1ccccc1C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193392989 885910885 /nfs/dbraw/zinc/91/08/85/885910885.db2.gz RTWAUSRPKGHIIP-IBGZPJMESA-N 1 0 378.520 3.571 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000495534502 886052284 /nfs/dbraw/zinc/05/22/84/886052284.db2.gz KSXNKSWVLMCNBP-INIZCTEOSA-N 1 0 394.475 3.917 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCCN1C(=O)OC(C)(C)C ZINC001184103429 913002979 /nfs/dbraw/zinc/00/29/79/913002979.db2.gz OQNRBWIVIMVLQY-HSZRJFAPSA-N 1 0 399.535 3.522 20 30 GHEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000919674479 886113170 /nfs/dbraw/zinc/11/31/70/886113170.db2.gz WCYFPTFKQVHJIQ-QGZVFWFLSA-N 1 0 398.894 3.726 20 30 GHEDRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466351 886418423 /nfs/dbraw/zinc/41/84/23/886418423.db2.gz SACZIGOYSKLARQ-KRWDZBQOSA-N 1 0 378.476 3.824 20 30 GHEDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000556887792 886464964 /nfs/dbraw/zinc/46/49/64/886464964.db2.gz IGNLJWGDAVCZKE-UZUQRXQVSA-N 1 0 379.504 3.901 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](C)C1CCOCC1 ZINC000925275073 886538541 /nfs/dbraw/zinc/53/85/41/886538541.db2.gz HVXPAQIKBTWMTQ-IAGOWNOFSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000862691344 886543081 /nfs/dbraw/zinc/54/30/81/886543081.db2.gz RAVBHPGMWIQIKE-NRFANRHFSA-N 1 0 377.488 3.572 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000808616147 886558899 /nfs/dbraw/zinc/55/88/99/886558899.db2.gz UOIGZEKUZHXYIL-OWSFEGEDSA-N 1 0 377.488 3.801 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c(Br)c1 ZINC001137641323 886658563 /nfs/dbraw/zinc/65/85/63/886658563.db2.gz WYSLGAKEEWFLSI-ROUUACIJSA-N 1 0 380.305 3.719 20 30 GHEDRO C[C@H](C#N)CN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459253231 886841820 /nfs/dbraw/zinc/84/18/20/886841820.db2.gz HEMMZQIOKHZAHH-VOQZNFBZSA-N 1 0 394.494 3.595 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670207650 887046767 /nfs/dbraw/zinc/04/67/67/887046767.db2.gz XYQAGIVTXQRIMM-QGZVFWFLSA-N 1 0 376.508 3.600 20 30 GHEDRO C[C@H](Nc1nc2ccc(C(F)(F)F)cc2c(Cl)c1C#N)[C@H]1C[NH2+]CCO1 ZINC001170570930 887095437 /nfs/dbraw/zinc/09/54/37/887095437.db2.gz ONDWXFMCXOWEGL-LKFCYVNXSA-N 1 0 384.789 3.567 20 30 GHEDRO C[C@@H](Nc1nc2ccc(C(F)(F)F)cc2c(Cl)c1C#N)[C@H]1C[NH2+]CCO1 ZINC001170570939 887095694 /nfs/dbraw/zinc/09/56/94/887095694.db2.gz ONDWXFMCXOWEGL-YMTOWFKASA-N 1 0 384.789 3.567 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000128905477 887241275 /nfs/dbraw/zinc/24/12/75/887241275.db2.gz FXOCFKMHFBROQX-UHFFFAOYSA-N 1 0 395.478 3.856 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]CC2(C#N)CCOCC2)C1 ZINC001184276283 913127331 /nfs/dbraw/zinc/12/73/31/913127331.db2.gz GKHKZTIJVFFOKB-WOJBJXKFSA-N 1 0 399.535 3.690 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)nc2c1cnn2C(C)C)C(C)C ZINC000496000135 887359698 /nfs/dbraw/zinc/35/96/98/887359698.db2.gz QORMNUHQFIABIV-HXUWFJFHSA-N 1 0 383.540 3.749 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1sccc1C#N ZINC000129938065 887372007 /nfs/dbraw/zinc/37/20/07/887372007.db2.gz MNNUCBHHXSASSI-GOSISDBHSA-N 1 0 391.500 3.824 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000129962756 887374680 /nfs/dbraw/zinc/37/46/80/887374680.db2.gz DYLUBKIADMZEAG-KNBMTAEXSA-N 1 0 383.517 3.586 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(C)C ZINC000496013066 887379418 /nfs/dbraw/zinc/37/94/18/887379418.db2.gz GSSYFLBQSTUDBL-LJQANCHMSA-N 1 0 386.536 3.550 20 30 GHEDRO C#CCCCCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000119713297 887450157 /nfs/dbraw/zinc/45/01/57/887450157.db2.gz XPJCSLLUOQBHKQ-UHFFFAOYSA-N 1 0 376.504 3.536 20 30 GHEDRO C#CC[C@@H](CCOC)NC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001131941051 887980615 /nfs/dbraw/zinc/98/06/15/887980615.db2.gz JLAVJDWGDCGHJH-ROUUACIJSA-N 1 0 384.442 3.633 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(Br)cc3C)C2)C1=O ZINC001275309402 913229672 /nfs/dbraw/zinc/22/96/72/913229672.db2.gz XJRSKPYRMLZZMM-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)nc1 ZINC000810235482 888311869 /nfs/dbraw/zinc/31/18/69/888311869.db2.gz QPWINTPILYVGPT-DYVFJYSZSA-N 1 0 399.292 3.562 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000865404816 888324435 /nfs/dbraw/zinc/32/44/35/888324435.db2.gz PVUVYKYPSARRJD-UHFFFAOYSA-N 1 0 376.504 3.540 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000763240506 888381524 /nfs/dbraw/zinc/38/15/24/888381524.db2.gz JIMNLXORERFTLZ-DNQXCXABSA-N 1 0 399.494 3.639 20 30 GHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000053720630 888384192 /nfs/dbraw/zinc/38/41/92/888384192.db2.gz DXFSCXYJAINENR-KRWDZBQOSA-N 1 0 393.487 3.959 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000810333817 888405131 /nfs/dbraw/zinc/40/51/31/888405131.db2.gz LXIWEIJHKURCHI-OAQYLSRUSA-N 1 0 382.439 3.897 20 30 GHEDRO COc1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1OCCCC#N ZINC000532707583 888415899 /nfs/dbraw/zinc/41/58/99/888415899.db2.gz WHEURRVFCOUNIQ-UHFFFAOYSA-N 1 0 380.444 3.885 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3c[nH]nc3-c3ccccc3F)CC2)cc1 ZINC000122821509 888483817 /nfs/dbraw/zinc/48/38/17/888483817.db2.gz CCWODXLOAKYUTM-UHFFFAOYSA-N 1 0 389.478 3.795 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C1(c3cccc(C#N)c3)CCOCC1)C2 ZINC000865627369 888486936 /nfs/dbraw/zinc/48/69/36/888486936.db2.gz DWQMYXPWQSQVSZ-UHFFFAOYSA-N 1 0 397.519 3.553 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000865697360 888520970 /nfs/dbraw/zinc/52/09/70/888520970.db2.gz YYPVSZLMEIPAAH-UHFFFAOYSA-N 1 0 375.501 3.835 20 30 GHEDRO N#CC[C@@H](CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000475925847 888537367 /nfs/dbraw/zinc/53/73/67/888537367.db2.gz JKUFOASEJJPPEL-QFIPXVFZSA-N 1 0 391.515 3.865 20 30 GHEDRO COc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cn2)cc1C[NH+]1CCCCC1 ZINC000915969373 888586762 /nfs/dbraw/zinc/58/67/62/888586762.db2.gz OYCKHNUKJJJCLT-UHFFFAOYSA-N 1 0 383.452 3.820 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)COc1cccc(C#N)c1)c1ccccc1Cl ZINC000916097654 888718029 /nfs/dbraw/zinc/71/80/29/888718029.db2.gz FRGCLNVCAUZZTJ-FQEVSTJZSA-N 1 0 385.895 3.790 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC)cc2F)no1 ZINC001211975237 888763118 /nfs/dbraw/zinc/76/31/18/888763118.db2.gz AFNURDKUVISMPW-KDOFPFPSSA-N 1 0 377.460 3.962 20 30 GHEDRO C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N(C)Cc1ccc(Br)s1 ZINC000121678320 889081742 /nfs/dbraw/zinc/08/17/42/889081742.db2.gz CZLGVIHEHDXERT-SNVBAGLBSA-N 1 0 399.358 3.926 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(C#N)cc3)cc2F)CC1 ZINC001132669540 889276286 /nfs/dbraw/zinc/27/62/86/889276286.db2.gz QIEMFHQAVJKJOR-UHFFFAOYSA-N 1 0 398.507 3.570 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000805397782 889309174 /nfs/dbraw/zinc/30/91/74/889309174.db2.gz VTYUAEJSZJDAEI-UWJYYQICSA-N 1 0 399.897 3.975 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C(F)(F)F)c1 ZINC000868208837 889353362 /nfs/dbraw/zinc/35/33/62/889353362.db2.gz CLESLQHSEVJCAF-ZWKOTPCHSA-N 1 0 390.409 3.941 20 30 GHEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000868210895 889354062 /nfs/dbraw/zinc/35/40/62/889354062.db2.gz RHAIZVYHDOJHGX-YJBOKZPZSA-N 1 0 382.430 3.568 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000063400421 889601445 /nfs/dbraw/zinc/60/14/45/889601445.db2.gz CSGREVXHUVGYNA-QFIPXVFZSA-N 1 0 392.503 3.567 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](NC(=[NH2+])c2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC001168519110 889977125 /nfs/dbraw/zinc/97/71/25/889977125.db2.gz PTGXTUCKRKSAMG-GJZGRUSLSA-N 1 0 396.413 3.594 20 30 GHEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000125462331 890004696 /nfs/dbraw/zinc/00/46/96/890004696.db2.gz DKPYHOWKOQWCAH-INIZCTEOSA-N 1 0 385.895 3.855 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122827776 890117634 /nfs/dbraw/zinc/11/76/34/890117634.db2.gz WYLHPUADWYCDSV-UHFFFAOYSA-N 1 0 387.531 3.616 20 30 GHEDRO CCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533269817 890132124 /nfs/dbraw/zinc/13/21/24/890132124.db2.gz DXLDDPAKHOUERM-GCJKJVERSA-N 1 0 376.504 3.654 20 30 GHEDRO C=CC(C)(C)CNC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455005847 890167071 /nfs/dbraw/zinc/16/70/71/890167071.db2.gz VDFUTKIDUWSZSH-LJQANCHMSA-N 1 0 381.524 3.972 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1sccc1C#N ZINC000533294504 890180730 /nfs/dbraw/zinc/18/07/30/890180730.db2.gz CIVJUFJLYOCHDB-KRWDZBQOSA-N 1 0 382.533 3.545 20 30 GHEDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000123162874 890386310 /nfs/dbraw/zinc/38/63/10/890386310.db2.gz HHBMUDRCXZDEJD-BBWFWOEESA-N 1 0 390.553 3.654 20 30 GHEDRO Cc1c(C#N)ccnc1-n1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)c2ccnc1-2 ZINC001170664606 890400317 /nfs/dbraw/zinc/40/03/17/890400317.db2.gz CISTZSPJMUDHSD-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000455186364 890486938 /nfs/dbraw/zinc/48/69/38/890486938.db2.gz IESWTLCHRGUQBI-FQEVSTJZSA-N 1 0 398.551 3.622 20 30 GHEDRO COc1cc2cc(C#N)c(-n3c(-c4ccccc4)cnc3[C@H](C)[NH3+])nc2cc1OC ZINC001170679224 890713362 /nfs/dbraw/zinc/71/33/62/890713362.db2.gz CQQLMKIQJLGHGX-AWEZNQCLSA-N 1 0 399.454 3.996 20 30 GHEDRO COc1ccc([C@H](O)C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1 ZINC000812774531 890949993 /nfs/dbraw/zinc/94/99/93/890949993.db2.gz QOFNPLLRIMPELN-HXOBKFHXSA-N 1 0 380.488 3.932 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000747820440 890975207 /nfs/dbraw/zinc/97/52/07/890975207.db2.gz WLIMCYOWJFSADG-UHFFFAOYSA-N 1 0 398.510 3.501 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1ccc(OCC[NH+](CC)CC)cc1)c1ccc(F)cc1 ZINC000812874789 891052111 /nfs/dbraw/zinc/05/21/11/891052111.db2.gz KDVFPCOKCZNOEE-JOCHJYFZSA-N 1 0 397.494 3.720 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000812881702 891061656 /nfs/dbraw/zinc/06/16/56/891061656.db2.gz YHAQXGJZHJCXKY-JXFKEZNVSA-N 1 0 385.508 3.773 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000812893038 891107722 /nfs/dbraw/zinc/10/77/22/891107722.db2.gz XNUUANKPWCNNDP-WTOYTKOKSA-N 1 0 379.479 3.852 20 30 GHEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812898345 891114318 /nfs/dbraw/zinc/11/43/18/891114318.db2.gz GARPAWMPVDHFIK-QGZVFWFLSA-N 1 0 378.476 3.598 20 30 GHEDRO CC(C)CC[NH+](CCC(C)C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000917097389 891119315 /nfs/dbraw/zinc/11/93/15/891119315.db2.gz QKYGBOHZULDEFI-GOSISDBHSA-N 1 0 382.508 3.906 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4c[nH]c5c4cccc5F)C3)CC2=O)c1 ZINC001137056292 891156831 /nfs/dbraw/zinc/15/68/31/891156831.db2.gz ONZRGLSBHUZMEZ-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067202764 891224933 /nfs/dbraw/zinc/22/49/33/891224933.db2.gz YPMUDDJHNNVYDE-NRFANRHFSA-N 1 0 399.583 3.507 20 30 GHEDRO NC(=NOCc1nc(C(F)(F)F)cs1)c1ccccc1C[NH+]1CCCCC1 ZINC000154283823 891228217 /nfs/dbraw/zinc/22/82/17/891228217.db2.gz OEDFDZWJXYMXMP-UHFFFAOYSA-N 1 0 398.454 3.985 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](CCCC2(C#N)CCOCC2)C(C)(C)CC1 ZINC000872291970 891232092 /nfs/dbraw/zinc/23/20/92/891232092.db2.gz XGOVADOAGNEJDO-UHFFFAOYSA-N 1 0 379.545 3.808 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(N3CCCC3)o1)CC2 ZINC001137060863 891277989 /nfs/dbraw/zinc/27/79/89/891277989.db2.gz IAPOWGNODLNMFG-UHFFFAOYSA-N 1 0 387.524 3.880 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2coc(-c3cccc(Cl)c3)n2)cc1 ZINC000747838977 891310727 /nfs/dbraw/zinc/31/07/27/891310727.db2.gz VCCBIOVPVTYSOH-UHFFFAOYSA-N 1 0 384.867 3.894 20 30 GHEDRO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C)[NH+](CC)CC)cc1 ZINC001212021925 891335327 /nfs/dbraw/zinc/33/53/27/891335327.db2.gz XJPLEMIVWFYMFV-OAQYLSRUSA-N 1 0 399.560 3.791 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1Cl ZINC001212037457 891387886 /nfs/dbraw/zinc/38/78/86/891387886.db2.gz JVEVOHLYIVQQMN-UHFFFAOYSA-N 1 0 395.956 3.631 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2c(Br)cccc2SCC)CC1 ZINC000813286450 891475547 /nfs/dbraw/zinc/47/55/47/891475547.db2.gz XRBJMWZVCLFPRL-UHFFFAOYSA-N 1 0 381.339 3.845 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000248896515 891479715 /nfs/dbraw/zinc/47/97/15/891479715.db2.gz ZYRJEPXDFUIBIA-RTBURBONSA-N 1 0 399.539 3.882 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC000873183165 891509368 /nfs/dbraw/zinc/50/93/68/891509368.db2.gz XAEQKEGEIXIWBE-BVBHFADKSA-N 1 0 385.508 3.855 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C)C1CC[NH+](C)CC1 ZINC000917186117 891542594 /nfs/dbraw/zinc/54/25/94/891542594.db2.gz PUPNJYCYLWUQRF-INIZCTEOSA-N 1 0 383.492 3.550 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000873303272 891568704 /nfs/dbraw/zinc/56/87/04/891568704.db2.gz HMIAHVAAVLKXGY-LAUBAEHRSA-N 1 0 398.551 3.754 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000249023107 891871422 /nfs/dbraw/zinc/87/14/22/891871422.db2.gz LCMUAUOGVFDFPR-PERKRYKHSA-N 1 0 395.528 3.997 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813791427 891980022 /nfs/dbraw/zinc/98/00/22/891980022.db2.gz AQRSVNINDBKQNR-IBGZPJMESA-N 1 0 392.268 3.814 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)COc3cccc(C#N)c3)ccc21 ZINC000747878483 891999317 /nfs/dbraw/zinc/99/93/17/891999317.db2.gz XTXVLAXRGORPTA-UHFFFAOYSA-N 1 0 390.487 3.872 20 30 GHEDRO CC[NH+](CC)[C@@H](CNc1cnc(C#N)c(C#N)n1)c1ccc(C(F)(F)F)cc1 ZINC001185046916 913623329 /nfs/dbraw/zinc/62/33/29/913623329.db2.gz XDRBVTKLCDDHMB-KRWDZBQOSA-N 1 0 388.397 3.734 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000729808724 892220728 /nfs/dbraw/zinc/22/07/28/892220728.db2.gz FOVKPJFSUWODSN-KZNAEPCWSA-N 1 0 380.513 3.987 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)C2=O)cc1 ZINC000192243451 892336274 /nfs/dbraw/zinc/33/62/74/892336274.db2.gz SELGDTCQXSYMNW-QGZVFWFLSA-N 1 0 394.525 3.634 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1OC ZINC000814161602 892354904 /nfs/dbraw/zinc/35/49/04/892354904.db2.gz TYTLXSWTANQYIF-FYGXRCCRSA-N 1 0 384.520 3.606 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2sccc2CC#N)CC1 ZINC000875643474 892735887 /nfs/dbraw/zinc/73/58/87/892735887.db2.gz WFQSEKSMLWFZJR-UHFFFAOYSA-N 1 0 382.533 3.844 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000933257727 892977934 /nfs/dbraw/zinc/97/79/34/892977934.db2.gz MUWZETZCCRPIQJ-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000508737690 893035884 /nfs/dbraw/zinc/03/58/84/893035884.db2.gz BGUDCUKTEVJGHE-MRXNPFEDSA-N 1 0 396.926 3.996 20 30 GHEDRO Cc1ccc(N2CC[N@H+](CCC(=O)Nc3sccc3C#N)[C@H](C)C2)cc1C ZINC000747968031 893067637 /nfs/dbraw/zinc/06/76/37/893067637.db2.gz JTRAIAPLQJKSBS-QGZVFWFLSA-N 1 0 382.533 3.776 20 30 GHEDRO COC1CCN(c2ccc(CN3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2)CC1 ZINC000933630605 893110165 /nfs/dbraw/zinc/11/01/65/893110165.db2.gz UXZFUSRTBVCEQO-XMMPIXPASA-N 1 0 391.515 3.747 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)c1ccccc1Br ZINC001170768828 893223447 /nfs/dbraw/zinc/22/34/47/893223447.db2.gz HYSMWVMKJRUHNH-LJQANCHMSA-N 1 0 389.293 3.503 20 30 GHEDRO C=CCC[C@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428689304 893243480 /nfs/dbraw/zinc/24/34/80/893243480.db2.gz HUDPBVLEXNTSNB-ZCYQVOJMSA-N 1 0 392.543 3.832 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1)CC1CC1 ZINC000455786267 893273793 /nfs/dbraw/zinc/27/37/93/893273793.db2.gz MMTPXBUWOGRJSJ-UHFFFAOYSA-N 1 0 389.931 3.973 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455801555 893357666 /nfs/dbraw/zinc/35/76/66/893357666.db2.gz ZKEBUYPYKWRJKW-CQSZACIVSA-N 1 0 383.883 3.954 20 30 GHEDRO CCCN(C(=O)COc1ccccc1C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC001134883087 893506134 /nfs/dbraw/zinc/50/61/34/893506134.db2.gz VKVJXQZEPAYVGG-UHFFFAOYSA-N 1 0 391.515 3.840 20 30 GHEDRO C=CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674023 893509830 /nfs/dbraw/zinc/50/98/30/893509830.db2.gz KKKUKJQFFZWNLZ-QGZVFWFLSA-N 1 0 385.475 3.802 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675374 893512705 /nfs/dbraw/zinc/51/27/05/893512705.db2.gz HYCXUTQSOKQCOV-INIZCTEOSA-N 1 0 389.463 3.703 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)cc1 ZINC001137118179 893554437 /nfs/dbraw/zinc/55/44/37/893554437.db2.gz OWPVIZDYTNKZSL-GGAORHGYSA-N 1 0 377.488 3.803 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000877312155 893559189 /nfs/dbraw/zinc/55/91/89/893559189.db2.gz CZKHKEVFUUPIKN-XLIONFOSSA-N 1 0 379.545 3.712 20 30 GHEDRO C[N@H+](CCN1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1)Cc1ccccc1 ZINC001185290868 913784325 /nfs/dbraw/zinc/78/43/25/913784325.db2.gz OOKXXRAJKNCCNA-UHFFFAOYSA-N 1 0 391.563 3.505 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000877491518 893643441 /nfs/dbraw/zinc/64/34/41/893643441.db2.gz LFWFDZKAQWILSB-QGZVFWFLSA-N 1 0 377.529 3.632 20 30 GHEDRO COC(=O)c1ccc(CC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC001137124196 893717691 /nfs/dbraw/zinc/71/76/91/893717691.db2.gz URWVKKLGABBGHB-UHFFFAOYSA-N 1 0 378.472 3.830 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC000877614447 893719894 /nfs/dbraw/zinc/71/98/94/893719894.db2.gz DHJJSYHCQYQLDL-MKXGPGLRSA-N 1 0 379.545 3.853 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000444811670 893734183 /nfs/dbraw/zinc/73/41/83/893734183.db2.gz IWPRKFQVXKHULT-WOJBJXKFSA-N 1 0 393.535 3.552 20 30 GHEDRO COCCC1([NH2+]Cc2cc(C#N)cs2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000877768139 893802636 /nfs/dbraw/zinc/80/26/36/893802636.db2.gz LDBANKNCDGYBBD-UHFFFAOYSA-N 1 0 379.526 3.516 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC001135009960 893806698 /nfs/dbraw/zinc/80/66/98/893806698.db2.gz MIPQQIFHAYWMBK-AABGKKOBSA-N 1 0 377.463 3.728 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000877916020 893892576 /nfs/dbraw/zinc/89/25/76/893892576.db2.gz UXTNXXPAGVDWGK-XMMPIXPASA-N 1 0 393.506 3.774 20 30 GHEDRO C=CCCc1ccc(C(=O)N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c(=O)[nH]1 ZINC001185364094 913823596 /nfs/dbraw/zinc/82/35/96/913823596.db2.gz CMJGDDBIBDBXBD-UHFFFAOYSA-N 1 0 397.494 3.782 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000878171436 894070577 /nfs/dbraw/zinc/07/05/77/894070577.db2.gz LBEHTYVZIRDWLI-BJKOFHAPSA-N 1 0 375.516 3.633 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2c(C)cc(Br)cc2Cl)CC1 ZINC000778288893 894085698 /nfs/dbraw/zinc/08/56/98/894085698.db2.gz ZRCPHWRZPXFXMC-UHFFFAOYSA-N 1 0 383.717 3.628 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000878240200 894123593 /nfs/dbraw/zinc/12/35/93/894123593.db2.gz DWDSGQYANOUQSX-LADGPHEKSA-N 1 0 392.499 3.814 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000537040993 894254543 /nfs/dbraw/zinc/25/45/43/894254543.db2.gz HYWXCMYVGCPQPM-QFIPXVFZSA-N 1 0 379.460 3.645 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000537051928 894271071 /nfs/dbraw/zinc/27/10/71/894271071.db2.gz MOCGYRXXXFGUPZ-AWEZNQCLSA-N 1 0 385.464 3.855 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)ccc1C)C(=S)NC[C@@H]1CCCO1 ZINC000022691636 894282480 /nfs/dbraw/zinc/28/24/80/894282480.db2.gz XIZCDTYCYBAAHT-IBGZPJMESA-O 1 0 397.564 3.861 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccccc2CC)cc1 ZINC000022692360 894283676 /nfs/dbraw/zinc/28/36/76/894283676.db2.gz XJWNOGNXKXEWRG-HXUWFJFHSA-O 1 0 397.564 3.806 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000537076780 894298794 /nfs/dbraw/zinc/29/87/94/894298794.db2.gz QAEDJRMPQVPHBC-VGSWGCGISA-N 1 0 397.494 3.716 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537076590 894300489 /nfs/dbraw/zinc/30/04/89/894300489.db2.gz JMXJLZSRCQVCMC-INIZCTEOSA-N 1 0 396.447 3.591 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000537076281 894300678 /nfs/dbraw/zinc/30/06/78/894300678.db2.gz YNIWZZOQQSOUEX-WTWLLKEWSA-N 1 0 399.535 3.818 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878563500 894387435 /nfs/dbraw/zinc/38/74/35/894387435.db2.gz UWWWLZQUUGALRI-XZOQPEGZSA-N 1 0 399.535 3.664 20 30 GHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(CC)cc1 ZINC000022804127 894452487 /nfs/dbraw/zinc/45/24/87/894452487.db2.gz VPAUAFOXZLXITN-UHFFFAOYSA-O 1 0 386.541 3.622 20 30 GHEDRO C#CCCCCC[NH+]1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000878708953 894525782 /nfs/dbraw/zinc/52/57/82/894525782.db2.gz BYZOGINAOIPMNI-UXHICEINSA-N 1 0 378.557 3.964 20 30 GHEDRO C[C@@H]1CC[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000564211431 894725999 /nfs/dbraw/zinc/72/59/99/894725999.db2.gz HFRFCMPABONTJM-LBTNJELSSA-N 1 0 389.425 3.898 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(CNc2ncccc2C#N)c1)c1ccccc1 ZINC001135564447 894799872 /nfs/dbraw/zinc/79/98/72/894799872.db2.gz ZQOMUUSCBCNZSC-QFIPXVFZSA-N 1 0 399.498 3.598 20 30 GHEDRO C[C@H]1[C@H](OC(=O)Cc2ccc(OCC#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000816470166 894831967 /nfs/dbraw/zinc/83/19/67/894831967.db2.gz JLHUTPXYEYXVIG-PGRDOPGGSA-N 1 0 378.472 3.728 20 30 GHEDRO C=CCNC(=O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000537416717 894945778 /nfs/dbraw/zinc/94/57/78/894945778.db2.gz NZOAEIUYPVPNGH-UHFFFAOYSA-N 1 0 388.515 3.607 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[NH+](C)C)cc1 ZINC001135715658 895151470 /nfs/dbraw/zinc/15/14/70/895151470.db2.gz YIJGHSWXGUKSKQ-GGAORHGYSA-N 1 0 393.531 3.943 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734926 895261676 /nfs/dbraw/zinc/26/16/76/895261676.db2.gz PZFWXGTTWWCJHO-QFBILLFUSA-N 1 0 387.549 3.958 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H]1C(F)(F)F ZINC000880024441 895457707 /nfs/dbraw/zinc/45/77/07/895457707.db2.gz JIFRRLXSZKDEDP-KBPBESRZSA-N 1 0 377.451 3.951 20 30 GHEDRO COc1cc2c(cc1OC)[C@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000880090960 895507260 /nfs/dbraw/zinc/50/72/60/895507260.db2.gz QHXAQNWEEVSEMH-ZDUSSCGKSA-N 1 0 385.489 3.585 20 30 GHEDRO CC1(C)[C@H](c2ccccc2Cl)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880288239 895619764 /nfs/dbraw/zinc/61/97/64/895619764.db2.gz XWXQZRFPRVEJOK-WMZOPIPTSA-N 1 0 376.928 3.979 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCOC1 ZINC000880464727 895717978 /nfs/dbraw/zinc/71/79/78/895717978.db2.gz IPOIUTAQIFUUML-RHSMWYFYSA-N 1 0 375.538 3.622 20 30 GHEDRO C#CCC1(O)CC[NH+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000880480947 895725230 /nfs/dbraw/zinc/72/52/30/895725230.db2.gz IMMYBZUZVAMZTO-UHFFFAOYSA-N 1 0 376.456 3.854 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001135950829 895756629 /nfs/dbraw/zinc/75/66/29/895756629.db2.gz FFGGNXIJKCGDMB-JOCHJYFZSA-N 1 0 387.527 3.808 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)C)[C@@H](C)C1 ZINC000565709689 895827847 /nfs/dbraw/zinc/82/78/47/895827847.db2.gz JRUQWTJDZACLIU-PXNSSMCTSA-N 1 0 380.540 3.639 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)c1 ZINC000817919880 895961279 /nfs/dbraw/zinc/96/12/79/895961279.db2.gz WDFGLXLRDDJCIJ-PTUXOGIPSA-N 1 0 379.504 3.959 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C(F)(F)F)c1 ZINC000880925134 896001335 /nfs/dbraw/zinc/00/13/35/896001335.db2.gz PTVAXZABLVVPPS-SJLPKXTDSA-N 1 0 394.441 3.583 20 30 GHEDRO COc1cncc(/C=C\CC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000566155206 896147468 /nfs/dbraw/zinc/14/74/68/896147468.db2.gz BBYXQINUMMUNCL-XQRVVYSFSA-N 1 0 399.498 3.736 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000818612245 896216254 /nfs/dbraw/zinc/21/62/54/896216254.db2.gz PTJLBBFNEFTNMA-UHFFFAOYSA-N 1 0 380.366 3.530 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC000818609420 896234621 /nfs/dbraw/zinc/23/46/21/896234621.db2.gz VDJAHUWDIMMTTH-HXUWFJFHSA-N 1 0 388.483 3.870 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818941766 896285122 /nfs/dbraw/zinc/28/51/22/896285122.db2.gz QRURMOXPLOMTTB-GOSISDBHSA-N 1 0 391.334 3.877 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001136188441 896380666 /nfs/dbraw/zinc/38/06/66/896380666.db2.gz JPHJFXYAKZELBE-JOCHJYFZSA-N 1 0 375.516 3.582 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000819068065 896385034 /nfs/dbraw/zinc/38/50/34/896385034.db2.gz OQWRHFZJMPDZAG-IMSXRSKXSA-N 1 0 394.515 3.912 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CC3)CC2)nc1-c1ccc(Cl)cc1 ZINC000129109167 896388540 /nfs/dbraw/zinc/38/85/40/896388540.db2.gz ODWJCOAFSOCQIZ-UHFFFAOYSA-N 1 0 389.956 3.658 20 30 GHEDRO Cc1ccc(NC(=O)C2(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)CCCC2)cc1C ZINC000819132939 896392001 /nfs/dbraw/zinc/39/20/01/896392001.db2.gz JDOCMCDPWKRYSK-JOCHJYFZSA-N 1 0 391.515 3.997 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000819152823 896408760 /nfs/dbraw/zinc/40/87/60/896408760.db2.gz CHEKLXNTHVDEGA-WIYYLYMNSA-N 1 0 378.472 3.528 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000819124428 896424268 /nfs/dbraw/zinc/42/42/68/896424268.db2.gz VFVJDKBIWJFFCJ-KGLIPLIRSA-N 1 0 385.986 3.582 20 30 GHEDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c(OC(F)F)c1 ZINC000819159840 896433841 /nfs/dbraw/zinc/43/38/41/896433841.db2.gz RBWNWZCEKQWIOL-SFHVURJKSA-N 1 0 376.403 3.772 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000819189404 896460060 /nfs/dbraw/zinc/46/00/60/896460060.db2.gz RIGCPFFRAMCYGJ-INIZCTEOSA-N 1 0 399.800 3.718 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(c3cccs3)CCCCC2)c1 ZINC000566673587 896480568 /nfs/dbraw/zinc/48/05/68/896480568.db2.gz RNEAPEQNCSHXTO-UHFFFAOYSA-N 1 0 388.558 3.885 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819250138 896491312 /nfs/dbraw/zinc/49/13/12/896491312.db2.gz BDQJVLRAHRFVGQ-RJYAGPCLSA-N 1 0 389.858 3.759 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000819289215 896530439 /nfs/dbraw/zinc/53/04/39/896530439.db2.gz HBCUJXDWQABDKL-CQSZACIVSA-N 1 0 388.002 3.639 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000819349880 896592951 /nfs/dbraw/zinc/59/29/51/896592951.db2.gz LZOKQSDCRCDDDY-SJORKVTESA-N 1 0 375.241 3.770 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@]2(COC)OCCc3ccccc32)ccc1OC ZINC000566826312 896604075 /nfs/dbraw/zinc/60/40/75/896604075.db2.gz MBRNHSYZGBLLMZ-DEOSSOPVSA-N 1 0 397.515 3.854 20 30 GHEDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC000566937700 896716361 /nfs/dbraw/zinc/71/63/61/896716361.db2.gz CBLGGXPALQGWDK-HDICACEKSA-N 1 0 377.488 3.692 20 30 GHEDRO C[N@H+](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCC[C@H]1O ZINC001136220907 896721929 /nfs/dbraw/zinc/72/19/29/896721929.db2.gz QGLPMWBGXJLGKY-CEWLAPEOSA-N 1 0 397.906 3.779 20 30 GHEDRO C[C@](CO)([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000796278529 914096548 /nfs/dbraw/zinc/09/65/48/914096548.db2.gz NHGKVCJYIUEHGB-LJQANCHMSA-N 1 0 389.293 3.587 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000567174291 896936719 /nfs/dbraw/zinc/93/67/19/896936719.db2.gz LUTRNAIVDFZIJJ-IERDGZPVSA-N 1 0 377.463 3.681 20 30 GHEDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)C[N@@H+]2C1 ZINC001136265068 896951481 /nfs/dbraw/zinc/95/14/81/896951481.db2.gz OJTNJDDGRGQGOT-SZVBFZGTSA-N 1 0 376.460 3.804 20 30 GHEDRO C=CCC1(C(=O)OC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(OC)cc2)CCOCC1 ZINC000820079874 897139292 /nfs/dbraw/zinc/13/92/92/897139292.db2.gz QHNZKMNJUFPFSB-CTNGQTDRSA-N 1 0 387.520 3.994 20 30 GHEDRO C[NH+](C)CCN(Cc1cc(Br)cs1)Cc1ccc(C#N)cc1 ZINC000567650790 897311626 /nfs/dbraw/zinc/31/16/26/897311626.db2.gz SZGXILFSJXNCLA-UHFFFAOYSA-N 1 0 378.339 3.946 20 30 GHEDRO Cc1cc(C)c(C(=O)C(C(=S)NCc2ccon2)[n+]2ccccc2)cc1C ZINC000131085746 897320372 /nfs/dbraw/zinc/32/03/72/897320372.db2.gz BSEUVSNGWOKJIK-UHFFFAOYSA-O 1 0 380.493 3.616 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCc2ccon2)[n+]2cccc(C)c2)cc1 ZINC000131107982 897322857 /nfs/dbraw/zinc/32/28/57/897322857.db2.gz GVGDNSRJOWFEDT-UHFFFAOYSA-O 1 0 380.493 3.562 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@H]1Cc2ccccc2O1 ZINC000883170219 897340130 /nfs/dbraw/zinc/34/01/30/897340130.db2.gz OEQOCSCKWYBLKL-IFMALSPDSA-N 1 0 380.488 3.812 20 30 GHEDRO C#C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000820490877 897356743 /nfs/dbraw/zinc/35/67/43/897356743.db2.gz RGKCHHIIRVJEFW-QFIPXVFZSA-N 1 0 379.479 3.806 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(C)c1 ZINC000131338721 897412265 /nfs/dbraw/zinc/41/22/65/897412265.db2.gz CHUWTPNHCVTIDG-UHFFFAOYSA-O 1 0 385.534 3.920 20 30 GHEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000567837361 897434331 /nfs/dbraw/zinc/43/43/31/897434331.db2.gz AVKRFNUODQQHDJ-LEWJYISDSA-N 1 0 375.472 3.899 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)c2ccc(Br)cc2C#N)([NH+](C)C)C1 ZINC001136359960 897469251 /nfs/dbraw/zinc/46/92/51/897469251.db2.gz BIIWQZOORXMFOV-UGSOOPFHSA-N 1 0 378.314 3.561 20 30 GHEDRO C=CCOc1cccc(NC(=O)Cc2csc(SCC[NH+](C)C)n2)c1 ZINC001136389056 897602926 /nfs/dbraw/zinc/60/29/26/897602926.db2.gz MCGXMWSFUJYAKQ-UHFFFAOYSA-N 1 0 377.535 3.543 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000568156726 897641334 /nfs/dbraw/zinc/64/13/34/897641334.db2.gz NDOPNBDOVSPDMQ-BGWNEDDSSA-N 1 0 394.515 3.781 20 30 GHEDRO C=CCCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000883630843 897774854 /nfs/dbraw/zinc/77/48/54/897774854.db2.gz FFHSDXWXAQWKPB-HBMCJLEFSA-N 1 0 377.488 3.654 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000568605361 897977254 /nfs/dbraw/zinc/97/72/54/897977254.db2.gz KAZZFYFSPBMMAU-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO N#Cc1cc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)c([N+](=O)[O-])s1 ZINC001185957002 914223355 /nfs/dbraw/zinc/22/33/55/914223355.db2.gz AZFQDHBGUVDPCY-UHFFFAOYSA-N 1 0 386.477 3.657 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000568873810 898181195 /nfs/dbraw/zinc/18/11/95/898181195.db2.gz FKTRCFVJFPASDA-NRFANRHFSA-N 1 0 383.492 3.535 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)c(OC)c1 ZINC000568992211 898261221 /nfs/dbraw/zinc/26/12/21/898261221.db2.gz ZXXMTXMNHJFFDG-UYAOXDASSA-N 1 0 383.488 3.667 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000108532681 898387584 /nfs/dbraw/zinc/38/75/84/898387584.db2.gz DJZNCZUXQVLLDG-GVDBMIGSSA-N 1 0 390.553 3.559 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001136589551 898441181 /nfs/dbraw/zinc/44/11/81/898441181.db2.gz PTXBNDBGUJYSRP-IBGZPJMESA-N 1 0 381.451 3.818 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc(OC)c1O ZINC000282881661 898548090 /nfs/dbraw/zinc/54/80/90/898548090.db2.gz CQYXCISZZXMVMP-LJQANCHMSA-N 1 0 381.476 3.525 20 30 GHEDRO CCCCCOc1ccc([C@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1OC ZINC000884080742 898809321 /nfs/dbraw/zinc/80/93/21/898809321.db2.gz DUASZWMQUSNTNW-FHNOQDHRSA-N 1 0 399.535 3.581 20 30 GHEDRO CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000043792534 898944709 /nfs/dbraw/zinc/94/47/09/898944709.db2.gz FTXQCFJKGCTMIM-NRFANRHFSA-N 1 0 378.520 3.825 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1C ZINC000331531070 898962271 /nfs/dbraw/zinc/96/22/71/898962271.db2.gz KTMBLRPUOSTHFG-QXCFHYIPSA-N 1 0 387.499 3.624 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289697336 914302019 /nfs/dbraw/zinc/30/20/19/914302019.db2.gz GKCYJKBNNFYKLW-MOPGFXCFSA-N 1 0 391.475 3.836 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000823325536 898988672 /nfs/dbraw/zinc/98/86/72/898988672.db2.gz AQPDCDMTRJTOCU-UHFFFAOYSA-N 1 0 376.500 3.825 20 30 GHEDRO Cc1ccc(Oc2ccccc2CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884129024 899001757 /nfs/dbraw/zinc/00/17/57/899001757.db2.gz VLAACIQFXZCETO-KPRXVCGWSA-N 1 0 375.472 3.543 20 30 GHEDRO Cc1ccc(COc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c2)cc1 ZINC000884135846 899033378 /nfs/dbraw/zinc/03/33/78/899033378.db2.gz VLXGDRAHXVQEED-KPRXVCGWSA-N 1 0 375.472 3.652 20 30 GHEDRO Cc1ccc(C2([NH2+]CC(=O)NCCC#N)CCCCC2)c(Br)c1 ZINC000823509856 899085223 /nfs/dbraw/zinc/08/52/23/899085223.db2.gz RYKLRYHTXDBAQE-UHFFFAOYSA-N 1 0 378.314 3.536 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@](C)(O)c1ccccc1 ZINC000823584538 899098202 /nfs/dbraw/zinc/09/82/02/899098202.db2.gz HEEWYOIJIZXQFK-JOCHJYFZSA-N 1 0 397.544 3.667 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc2ccccc21 ZINC000570157203 899165208 /nfs/dbraw/zinc/16/52/08/899165208.db2.gz YMRFYPWVDPZBMF-JOCHJYFZSA-N 1 0 385.467 3.611 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000570380973 899292103 /nfs/dbraw/zinc/29/21/03/899292103.db2.gz XENJWQLHAKFCBD-IAGOWNOFSA-N 1 0 378.501 3.783 20 30 GHEDRO C=CCSCCNC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543767538 914340134 /nfs/dbraw/zinc/34/01/34/914340134.db2.gz KUEORKHELCELLD-IBGZPJMESA-N 1 0 399.564 3.679 20 30 GHEDRO C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(CC#N)CC1 ZINC000772878369 899355423 /nfs/dbraw/zinc/35/54/23/899355423.db2.gz FBWJCQWDMSFYBL-IEBWSBKVSA-N 1 0 378.561 3.522 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000570627726 899454869 /nfs/dbraw/zinc/45/48/69/899454869.db2.gz XHOCJGLQIFDHIR-IBGZPJMESA-N 1 0 390.531 3.984 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NC[C@H]2CCCCO2)cc1 ZINC000134133209 899650735 /nfs/dbraw/zinc/65/07/35/899650735.db2.gz KDNKCGGWPVXTMV-HXUWFJFHSA-O 1 0 397.564 3.942 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(Cl)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001136926717 899780581 /nfs/dbraw/zinc/78/05/81/899780581.db2.gz KBCPLZKSBJKCHH-IRLDBZIGSA-N 1 0 381.907 3.739 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000120669150 899864958 /nfs/dbraw/zinc/86/49/58/899864958.db2.gz WNRBUWYZXLDULD-UHFFFAOYSA-N 1 0 399.539 3.905 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(-n2ccnc2C)c(F)c1 ZINC000571434228 899866190 /nfs/dbraw/zinc/86/61/90/899866190.db2.gz LQJHBSLRJRWPNQ-HXUWFJFHSA-N 1 0 395.478 3.578 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000571605249 899924154 /nfs/dbraw/zinc/92/41/54/899924154.db2.gz BUVOWRSDWLLMFI-MRXNPFEDSA-N 1 0 379.464 3.597 20 30 GHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000572050613 900045541 /nfs/dbraw/zinc/04/55/41/900045541.db2.gz MIYZPWHECTZHLE-SPEDKVCISA-N 1 0 378.520 3.747 20 30 GHEDRO CCN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000884417668 900068718 /nfs/dbraw/zinc/06/87/18/900068718.db2.gz NQPRVTJHORBSQP-PYMACOCMSA-N 1 0 393.453 3.624 20 30 GHEDRO CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884429183 900074084 /nfs/dbraw/zinc/07/40/84/900074084.db2.gz AMTYABXVAGQZJT-KGXSXCIVSA-N 1 0 393.453 3.829 20 30 GHEDRO N#Cc1cc2c(nc1N1CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CCOC2 ZINC000572333088 900143794 /nfs/dbraw/zinc/14/37/94/900143794.db2.gz CLZORHQUJVQPJU-XXBNENTESA-N 1 0 388.515 3.517 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3cc(Cl)nc([C@@H]4CCCO4)n3)CC2)c1 ZINC000884547003 900165897 /nfs/dbraw/zinc/16/58/97/900165897.db2.gz ZODYJNQAQVQIKP-SFHVURJKSA-N 1 0 397.910 3.930 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(-n2cccn2)c(F)c1 ZINC000572501429 900203930 /nfs/dbraw/zinc/20/39/30/900203930.db2.gz NZSQCKDHSNXRNC-KRWDZBQOSA-N 1 0 391.450 3.609 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(F)cc1OCC#N ZINC000135287627 900216442 /nfs/dbraw/zinc/21/64/42/900216442.db2.gz JUFGXBPQHJVKJI-UHFFFAOYSA-N 1 0 384.455 3.892 20 30 GHEDRO C=CCCC[C@@H](NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000884714354 900246703 /nfs/dbraw/zinc/24/67/03/900246703.db2.gz QLZPXCXCEKLOOW-LAUBAEHRSA-N 1 0 379.504 3.536 20 30 GHEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000572684782 900247713 /nfs/dbraw/zinc/24/77/13/900247713.db2.gz RLKZOFRPYVVMGC-KRWDZBQOSA-N 1 0 391.441 3.823 20 30 GHEDRO COC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c(C#N)n1 ZINC000572975443 900326609 /nfs/dbraw/zinc/32/66/09/900326609.db2.gz VAMTULJSFDXYPX-MRXNPFEDSA-N 1 0 378.476 3.584 20 30 GHEDRO C=CC1(CC(=O)N(C)CC[N@H+](C)C2CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001143770877 900499080 /nfs/dbraw/zinc/49/90/80/900499080.db2.gz TYYQSEQAUHURBQ-UHFFFAOYSA-N 1 0 393.572 3.523 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000157616053 900645382 /nfs/dbraw/zinc/64/53/82/900645382.db2.gz ONGXAKBHXLUZIV-UHFFFAOYSA-N 1 0 378.472 3.849 20 30 GHEDRO C=CCN1C[C@@]2(CC[N@@H+](CC(C)(C)Sc3ccc(Cl)cc3)C2)OCC1=O ZINC001275514612 914464784 /nfs/dbraw/zinc/46/47/84/914464784.db2.gz CTBPITWAPAQSOR-FQEVSTJZSA-N 1 0 394.968 3.700 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](CC(C)(C)Sc3ccc(Cl)cc3)C2)C1=O ZINC001275515083 914469450 /nfs/dbraw/zinc/46/94/50/914469450.db2.gz HTHGKRIKXRCKPN-HXUWFJFHSA-N 1 0 376.953 3.768 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844323445 900729565 /nfs/dbraw/zinc/72/95/65/900729565.db2.gz OWPKIRKRTOKVPJ-OAHLLOKOSA-N 1 0 388.468 3.593 20 30 GHEDRO COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844326916 900732342 /nfs/dbraw/zinc/73/23/42/900732342.db2.gz NFNPAKYZCIHTQN-GHTZIAJQSA-N 1 0 397.544 3.596 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000844356872 900761889 /nfs/dbraw/zinc/76/18/89/900761889.db2.gz UHPOSTNXFXUMIU-NJYVYQBISA-N 1 0 399.535 3.843 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001171120816 900771471 /nfs/dbraw/zinc/77/14/71/900771471.db2.gz UIHRXFBMDVMBJY-DLBZAZTESA-N 1 0 396.922 3.745 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000157770358 900810095 /nfs/dbraw/zinc/81/00/95/900810095.db2.gz FYPGAMDLTCREFR-UHFFFAOYSA-N 1 0 398.894 3.614 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000574193986 900815041 /nfs/dbraw/zinc/81/50/41/900815041.db2.gz UQIJNEBIDMVJSW-HYFFOGBASA-N 1 0 380.492 3.967 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000574239924 900830107 /nfs/dbraw/zinc/83/01/07/900830107.db2.gz HPEBYGBTOMBQON-QGZVFWFLSA-N 1 0 397.441 3.650 20 30 GHEDRO C[N@@H+]1CCN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@@H]1Cc1ccccc1 ZINC001186388431 914494384 /nfs/dbraw/zinc/49/43/84/914494384.db2.gz RHEBSRUJWCJJOP-FQEVSTJZSA-N 1 0 385.471 3.504 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000066956190 901029824 /nfs/dbraw/zinc/02/98/24/901029824.db2.gz OHVMEFPCDIVOQE-MRXNPFEDSA-N 1 0 390.553 3.703 20 30 GHEDRO C[C@@]1(NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000844564271 901038783 /nfs/dbraw/zinc/03/87/83/901038783.db2.gz RIRIESWEAXCGIU-OAQYLSRUSA-N 1 0 382.439 3.514 20 30 GHEDRO C[C@@H](NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccs1 ZINC000844595900 901061023 /nfs/dbraw/zinc/06/10/23/901061023.db2.gz BRRLQEIGQATFEG-OAHLLOKOSA-N 1 0 384.574 3.809 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2(c3cccc(F)c3)CCCCC2)cc1 ZINC000575147310 901136312 /nfs/dbraw/zinc/13/63/12/901136312.db2.gz SOVMNDIGRDYIEV-NRFANRHFSA-N 1 0 382.479 3.929 20 30 GHEDRO C[C@]1(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000575321268 901190527 /nfs/dbraw/zinc/19/05/27/901190527.db2.gz VKUJXQUYXVCHBK-HSZRJFAPSA-N 1 0 391.490 3.900 20 30 GHEDRO CCCCCC[C@]1(C)NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O ZINC000844739465 901255773 /nfs/dbraw/zinc/25/57/73/901255773.db2.gz GEVNVGHZWVXWRI-QHCPKHFHSA-N 1 0 396.535 3.804 20 30 GHEDRO C#CCC1([NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CCOCC1 ZINC000887126039 901447853 /nfs/dbraw/zinc/44/78/53/901447853.db2.gz UACZYTWZTQKJNG-RPWUZVMVSA-N 1 0 393.527 3.624 20 30 GHEDRO N#CCOc1cccc(CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)c1 ZINC000844888043 901467065 /nfs/dbraw/zinc/46/70/65/901467065.db2.gz CJBGBZLQPRDKHZ-UHFFFAOYSA-N 1 0 395.528 3.958 20 30 GHEDRO N#Cc1cccc(-c2nnc(CNC3(c4ccc(F)cc4)CCOCC3)o2)c1 ZINC000575931120 901491486 /nfs/dbraw/zinc/49/14/86/901491486.db2.gz QXXKXNZLVLJJLH-UHFFFAOYSA-N 1 0 378.407 3.543 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1OCCCC#N ZINC000093532279 901550706 /nfs/dbraw/zinc/55/07/06/901550706.db2.gz POWVXYATUBKCLD-UHFFFAOYSA-N 1 0 399.535 3.602 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000575988834 901559987 /nfs/dbraw/zinc/55/99/87/901559987.db2.gz GCZOGLMJAVNPHB-QXAKKESOSA-N 1 0 375.900 3.556 20 30 GHEDRO C=CC[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000576178414 901763240 /nfs/dbraw/zinc/76/32/40/901763240.db2.gz QPSXVPLHSRKDNV-AWEZNQCLSA-N 1 0 388.397 3.825 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)cc1 ZINC001144356885 901891432 /nfs/dbraw/zinc/89/14/32/901891432.db2.gz QQTLMVJSIBFXJD-GOSISDBHSA-N 1 0 391.393 3.938 20 30 GHEDRO Cc1cccc(OC[C@@H](O)C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000576458982 902034270 /nfs/dbraw/zinc/03/42/70/902034270.db2.gz FSTFLVTYHVVUON-KBWCOIMZSA-N 1 0 380.488 3.586 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001171175455 902064747 /nfs/dbraw/zinc/06/47/47/902064747.db2.gz LLBDIHPUCXBLOV-YJBOKZPZSA-N 1 0 393.478 3.971 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c1 ZINC000576526522 902076710 /nfs/dbraw/zinc/07/67/10/902076710.db2.gz DXVUDAXMOCSGGW-MEMLXQNLSA-N 1 0 380.488 3.838 20 30 GHEDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000576607303 902128095 /nfs/dbraw/zinc/12/80/95/902128095.db2.gz JPYVDBYAQYLCSY-MRXNPFEDSA-N 1 0 397.548 3.896 20 30 GHEDRO COC(=O)c1cc(Br)ccc1C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171189764 902228761 /nfs/dbraw/zinc/22/87/61/902228761.db2.gz KYVYEZAXGUWVOH-ZDUSSCGKSA-N 1 0 387.277 3.828 20 30 GHEDRO C=C[C@H](C)ONC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000845629461 902285125 /nfs/dbraw/zinc/28/51/25/902285125.db2.gz DAHBDVWTKOKWMA-JLJPHGGASA-N 1 0 385.430 3.894 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000576864005 902312296 /nfs/dbraw/zinc/31/22/96/902312296.db2.gz OQRAJAOPKHMVBN-OXQOHEQNSA-N 1 0 386.879 3.649 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)NCCC)CC2)cc1 ZINC001144580727 902392280 /nfs/dbraw/zinc/39/22/80/902392280.db2.gz GOAUFWQXFJJLOA-UHFFFAOYSA-N 1 0 376.500 3.851 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc1 ZINC001144569696 902400983 /nfs/dbraw/zinc/40/09/83/902400983.db2.gz XHIZZXOJYAFTKL-UHFFFAOYSA-N 1 0 378.491 3.674 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H]4CCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000334026346 902510498 /nfs/dbraw/zinc/51/04/98/902510498.db2.gz HMQZRAYKRUTGFV-GCJKJVERSA-N 1 0 399.498 3.728 20 30 GHEDRO Cn1nnc2cc(C[NH+](Cc3ccc(C#N)cc3)Cc3ccc(C#N)cc3)ccc21 ZINC001144641891 902572512 /nfs/dbraw/zinc/57/25/12/902572512.db2.gz JDDCFYBUDTZCOO-UHFFFAOYSA-N 1 0 392.466 3.914 20 30 GHEDRO CCc1ccc([C@@H](C#N)N(C)C(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000577188952 902573854 /nfs/dbraw/zinc/57/38/54/902573854.db2.gz PZNBZAVVEQNZPJ-JOCHJYFZSA-N 1 0 376.504 3.892 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001171209998 902669429 /nfs/dbraw/zinc/66/94/29/902669429.db2.gz OWLBYUHDYPSIBH-SFHVURJKSA-N 1 0 399.535 3.591 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000846113675 902692314 /nfs/dbraw/zinc/69/23/14/902692314.db2.gz NNWQIRNGCFTZBO-ATZDWAIDSA-N 1 0 389.496 3.578 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c(-c2ccncc2)n1 ZINC000846105295 902719001 /nfs/dbraw/zinc/71/90/01/902719001.db2.gz QVCQRSSEGXDSFU-INIZCTEOSA-N 1 0 378.307 3.922 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C[C@@H]12 ZINC001171215947 902720904 /nfs/dbraw/zinc/72/09/04/902720904.db2.gz FBNDSYDBQRBJLJ-WVQWTBLQSA-N 1 0 387.527 3.754 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001171215660 902749894 /nfs/dbraw/zinc/74/98/94/902749894.db2.gz CNMVVVAUMPMDFH-AVCGJXAMSA-N 1 0 377.488 3.587 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@@H+]([C@@H](C)Cc4cccc(C#N)c4)C3)CC2=O)s1 ZINC001171217279 902754709 /nfs/dbraw/zinc/75/47/09/902754709.db2.gz OPQVAHOFZCBZOS-AOMKIAJQSA-N 1 0 379.529 3.988 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001171217359 902755885 /nfs/dbraw/zinc/75/58/85/902755885.db2.gz OUPHDEQXJQVDQP-AVRDEDQJSA-N 1 0 379.548 3.898 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000600724924 902847524 /nfs/dbraw/zinc/84/75/24/902847524.db2.gz UZPLZGDYJXNBME-GOSISDBHSA-N 1 0 390.405 3.638 20 30 GHEDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)s2)cc1 ZINC000600729754 902851514 /nfs/dbraw/zinc/85/15/14/902851514.db2.gz MURYCCFBDSGORC-KRWDZBQOSA-N 1 0 386.517 3.585 20 30 GHEDRO C=CCCCCCCCCC(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001144797966 902936997 /nfs/dbraw/zinc/93/69/97/902936997.db2.gz WLVPQWVHHWDZCW-UHFFFAOYSA-N 1 0 391.600 3.838 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000577665998 903022092 /nfs/dbraw/zinc/02/20/92/903022092.db2.gz JKDHUMMHQPSBJF-UHFFFAOYSA-N 1 0 384.867 3.744 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc(OC)c1OC ZINC000772946406 903122978 /nfs/dbraw/zinc/12/29/78/903122978.db2.gz MUZQTBBFVGTRKW-AVRDEDQJSA-N 1 0 395.547 3.828 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000577737695 903142867 /nfs/dbraw/zinc/14/28/67/903142867.db2.gz LYBGZJKSJZKORK-UHFFFAOYSA-N 1 0 378.520 3.560 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCc1ccc(Br)cc1 ZINC001275546060 914695255 /nfs/dbraw/zinc/69/52/55/914695255.db2.gz AFOBLOMNNVJDLU-IBGZPJMESA-N 1 0 377.326 3.635 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000846921643 903304943 /nfs/dbraw/zinc/30/49/43/903304943.db2.gz CDZRKZMJANNHHC-RBUKOAKNSA-N 1 0 384.524 3.812 20 30 GHEDRO CCc1cc(N2CCC([NH2+][C@H]3CCCCc4cc(C#N)ccc43)CC2)ncn1 ZINC000577883712 903307911 /nfs/dbraw/zinc/30/79/11/903307911.db2.gz LDHYUOXRRVTPGS-QFIPXVFZSA-N 1 0 375.520 3.937 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)cc1 ZINC000846971706 903332977 /nfs/dbraw/zinc/33/29/77/903332977.db2.gz DPZIAGKCPLYBLU-WOJBJXKFSA-N 1 0 376.504 3.823 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000264714155 903334289 /nfs/dbraw/zinc/33/42/89/903334289.db2.gz FGMNKOARDHVVMW-UHFFFAOYSA-N 1 0 388.515 3.964 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000577994103 903425107 /nfs/dbraw/zinc/42/51/07/903425107.db2.gz XVLIKSVEDRBWQV-REWPJTCUSA-N 1 0 389.499 3.627 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3c2CCSC3)CC[NH+](Cc2ccccc2)CC1 ZINC001171274559 903468204 /nfs/dbraw/zinc/46/82/04/903468204.db2.gz CPCWOEUWRMTGLW-UHFFFAOYSA-N 1 0 399.951 3.890 20 30 GHEDRO N#CC1(Nc2ncnc3cnc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171275407 903475154 /nfs/dbraw/zinc/47/51/54/903475154.db2.gz ZTBDULMSXHHQGK-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134199440 903478575 /nfs/dbraw/zinc/47/85/75/903478575.db2.gz AWNPXQMEMGHCDW-HXUWFJFHSA-O 1 0 395.548 3.560 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC[C@@H]2CCCCO2)c1 ZINC000134206015 903480030 /nfs/dbraw/zinc/48/00/30/903480030.db2.gz NMILIBUUGVMANR-SFHVURJKSA-O 1 0 387.500 3.519 20 30 GHEDRO COC(=O)c1cc2[nH]ccc2cc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171276785 903523608 /nfs/dbraw/zinc/52/36/08/903523608.db2.gz IBGCLZLZIOJZST-UHFFFAOYSA-N 1 0 388.471 3.925 20 30 GHEDRO N#CC1(Nc2ccccc2C(=O)N2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001171278054 903560228 /nfs/dbraw/zinc/56/02/28/903560228.db2.gz ZMTYFHNYZJOEBM-UHFFFAOYSA-N 1 0 388.515 3.893 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000578270248 903675623 /nfs/dbraw/zinc/67/56/23/903675623.db2.gz QXNGANWULSWQAE-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000265279559 903772791 /nfs/dbraw/zinc/77/27/91/903772791.db2.gz AITVOQPUOFDZDR-UHFFFAOYSA-N 1 0 379.304 3.704 20 30 GHEDRO C[C@@H]1C[NH+](C[C@H](O)CNc2ccc(Sc3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000578437216 903844943 /nfs/dbraw/zinc/84/49/43/903844943.db2.gz WFIMLVBFHPUVOL-MBOZVWFJSA-N 1 0 397.544 3.591 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000772983406 903850876 /nfs/dbraw/zinc/85/08/76/903850876.db2.gz HONBNLDKQQINGM-PBHICJAKSA-N 1 0 390.480 3.761 20 30 GHEDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2ccc(C#N)cc2)c2c(F)cccc2Cl)CCO1 ZINC000048713539 904047897 /nfs/dbraw/zinc/04/78/97/904047897.db2.gz GRLAYMIPWBYOCS-QRWLVFNGSA-N 1 0 387.886 3.902 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])cc1 ZINC001148468137 904080381 /nfs/dbraw/zinc/08/03/81/904080381.db2.gz MNPMZZBDJBBHHD-OVKIHRCZSA-N 1 0 396.490 3.968 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@@H](C)CC)cc1 ZINC000151932304 904216226 /nfs/dbraw/zinc/21/62/26/904216226.db2.gz HAEUTVWHNNHRCA-HNNXBMFYSA-O 1 0 387.573 3.938 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)c1 ZINC000779105345 904229845 /nfs/dbraw/zinc/22/98/45/904229845.db2.gz WIEYXJYHNQGUML-REWPJTCUSA-N 1 0 377.488 3.951 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000152485703 904274533 /nfs/dbraw/zinc/27/45/33/904274533.db2.gz YKQBIYVIVZTPCC-CRAIPNDOSA-N 1 0 383.442 3.962 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171354772 904345953 /nfs/dbraw/zinc/34/59/53/904345953.db2.gz MJYRUQNYJYOCHH-OAQYLSRUSA-N 1 0 381.470 3.948 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030332 904388696 /nfs/dbraw/zinc/38/86/96/904388696.db2.gz OEARJNXDNQMKLC-GFCCVEGCSA-N 1 0 375.831 3.866 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC000773042491 904393249 /nfs/dbraw/zinc/39/32/49/904393249.db2.gz BFBLKPNALRPKPD-WMZHIEFXSA-N 1 0 376.500 3.583 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])cc1 ZINC001171396403 904494456 /nfs/dbraw/zinc/49/44/56/904494456.db2.gz LBCCVUBIWVLBHM-RXOHUZPKSA-N 1 0 385.533 3.816 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000579329880 904522542 /nfs/dbraw/zinc/52/25/42/904522542.db2.gz ZSYORKAGISESIY-QGZVFWFLSA-N 1 0 398.511 3.598 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000579353216 904537247 /nfs/dbraw/zinc/53/72/47/904537247.db2.gz XGVZCFKZTPBTGK-UHFFFAOYSA-N 1 0 393.457 3.590 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(NC(=O)CC(C)C)c2)c1 ZINC000104177637 904548891 /nfs/dbraw/zinc/54/88/91/904548891.db2.gz ZALNEMRFUPWIMA-UHFFFAOYSA-N 1 0 384.480 3.615 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4cc(F)c(F)cc4C3)CC2)cc1 ZINC001171465896 904717104 /nfs/dbraw/zinc/71/71/04/904717104.db2.gz KMBYDDSQWYJNTN-HXUWFJFHSA-N 1 0 395.453 3.588 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccsc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC001186857928 914866169 /nfs/dbraw/zinc/86/61/69/914866169.db2.gz IMXIKSUTMNAYGV-DOTOQJQBSA-N 1 0 391.562 3.664 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171925057 905179310 /nfs/dbraw/zinc/17/93/10/905179310.db2.gz ZGIIQPHAWZJHBM-XWEVFREBSA-N 1 0 390.568 3.920 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171927127 905180971 /nfs/dbraw/zinc/18/09/71/905180971.db2.gz GBYPWTUKYHKSAS-NWEKGRFWSA-N 1 0 393.568 3.961 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171926828 905181476 /nfs/dbraw/zinc/18/14/76/905181476.db2.gz PVVGGAGEIBVGOC-UEWYOLLUSA-N 1 0 379.541 3.713 20 30 GHEDRO [NH2+]=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccc(Cl)cn1 ZINC001171994180 905204879 /nfs/dbraw/zinc/20/48/79/905204879.db2.gz XIGZBGRXUWENHA-UHFFFAOYSA-N 1 0 393.716 3.872 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171980316 905232455 /nfs/dbraw/zinc/23/24/55/905232455.db2.gz IESJVUVXTZDDMQ-RDGATRHJSA-N 1 0 395.591 3.930 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001172302764 905454539 /nfs/dbraw/zinc/45/45/39/905454539.db2.gz QKUBXNNDVJAAJV-LZQZEXGQSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001172302762 905455219 /nfs/dbraw/zinc/45/52/19/905455219.db2.gz QKUBXNNDVJAAJV-ATZDWAIDSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001172303359 905456838 /nfs/dbraw/zinc/45/68/38/905456838.db2.gz CHHDTHJQZLCUHR-LJQANCHMSA-N 1 0 375.520 3.662 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001172304193 905457418 /nfs/dbraw/zinc/45/74/18/905457418.db2.gz IYWLYQRBMRCGDL-XXBNENTESA-N 1 0 375.516 3.703 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001172307665 905463716 /nfs/dbraw/zinc/46/37/16/905463716.db2.gz IOFMATPPWUWVQL-AVRDEDQJSA-N 1 0 379.548 3.898 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001172309610 905467234 /nfs/dbraw/zinc/46/72/34/905467234.db2.gz UQPIAUCCKIYAHC-UZUQRXQVSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001172309559 905467812 /nfs/dbraw/zinc/46/78/12/905467812.db2.gz ULONAFIBURAEHX-AUSIDOKSSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001172313508 905471708 /nfs/dbraw/zinc/47/17/08/905471708.db2.gz YBVODLXXHAUKEU-KRWDZBQOSA-N 1 0 382.529 3.772 20 30 GHEDRO COc1ccc(CN2CCC([NH2+][C@H](C)Cc3ccc(C#N)cc3)CC2)cc1F ZINC001172299628 905483830 /nfs/dbraw/zinc/48/38/30/905483830.db2.gz NBTDDKPUTDCFOA-QGZVFWFLSA-N 1 0 381.495 3.891 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)CC[NH2+][C@H](C)Cc3ccc(C#N)cc3)ccc12 ZINC001172298931 905484417 /nfs/dbraw/zinc/48/44/17/905484417.db2.gz IJXCXQCXQXNFPF-MRXNPFEDSA-N 1 0 389.455 3.523 20 30 GHEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001172503788 905601733 /nfs/dbraw/zinc/60/17/33/905601733.db2.gz AXQKYPAAXZWACW-SIKLNZKXSA-N 1 0 379.589 3.719 20 30 GHEDRO CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001172506673 905601954 /nfs/dbraw/zinc/60/19/54/905601954.db2.gz ZCKLMMVOEALQMN-UXHICEINSA-N 1 0 392.588 3.704 20 30 GHEDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000175864250 905687137 /nfs/dbraw/zinc/68/71/37/905687137.db2.gz LPGKQPPEELHMRN-CUAXAMRHSA-N 1 0 378.538 3.547 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000777304425 905741734 /nfs/dbraw/zinc/74/17/34/905741734.db2.gz PXEJKZXFXHQPPG-OAQYLSRUSA-N 1 0 381.907 3.902 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172718997 905768895 /nfs/dbraw/zinc/76/88/95/905768895.db2.gz YQFOXAUJDNPWRK-OAQYLSRUSA-N 1 0 379.891 3.573 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172905996 905931350 /nfs/dbraw/zinc/93/13/50/905931350.db2.gz FMHCGXWUZRJVGC-NZQKXSOJSA-N 1 0 397.519 3.875 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172907032 905934172 /nfs/dbraw/zinc/93/41/72/905934172.db2.gz ZNLFPIAOPIGALG-NZQKXSOJSA-N 1 0 397.519 3.875 20 30 GHEDRO Cc1ccc2c(CC[NH3+])cn([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c2c1 ZINC001172968244 906029507 /nfs/dbraw/zinc/02/95/07/906029507.db2.gz JUNJPAJZTFZYGU-ROUUACIJSA-N 1 0 382.508 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C[C@H]1C#N ZINC001172969436 906031119 /nfs/dbraw/zinc/03/11/19/906031119.db2.gz VOKYCVJZTNLPSM-CVEARBPZSA-N 1 0 394.313 3.830 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(Br)c2)C[C@H]1C#N ZINC001172972169 906034932 /nfs/dbraw/zinc/03/49/32/906034932.db2.gz WUXFWCOZEPMSLR-HOTGVXAUSA-N 1 0 394.313 3.830 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2)C[C@H]1C#N ZINC001172971961 906035691 /nfs/dbraw/zinc/03/56/91/906035691.db2.gz VFWGDDGBDCKVDB-SJORKVTESA-N 1 0 393.915 3.990 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976218 906040569 /nfs/dbraw/zinc/04/05/69/906040569.db2.gz MLVNYXNGWOBOFG-QYZOEREBSA-N 1 0 387.524 3.952 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976028 906041261 /nfs/dbraw/zinc/04/12/61/906041261.db2.gz KXQGSIYQKRKMLZ-LNLFQRSKSA-N 1 0 384.524 3.887 20 30 GHEDRO O=C(CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1)N1CCCC1 ZINC000177256707 906075882 /nfs/dbraw/zinc/07/58/82/906075882.db2.gz CINNEDSOIXCOBB-UHFFFAOYSA-N 1 0 378.438 3.781 20 30 GHEDRO C=C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1)c1ccccc1 ZINC001173024245 906097997 /nfs/dbraw/zinc/09/79/97/906097997.db2.gz MGWRTQQYVLYBGQ-TZIWHRDSSA-N 1 0 380.488 3.712 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCC(C)([NH+]3CCOCC3)CC2)cc1OC ZINC000628452696 906138478 /nfs/dbraw/zinc/13/84/78/906138478.db2.gz HZIIDNVVHZAVLI-UHFFFAOYSA-N 1 0 394.943 3.600 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177822083 906222118 /nfs/dbraw/zinc/22/21/18/906222118.db2.gz YYFZSAKHNAQBEV-AWEZNQCLSA-N 1 0 392.521 3.685 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)CC1 ZINC001173320635 906368340 /nfs/dbraw/zinc/36/83/40/906368340.db2.gz BQRPYEKJELBTGX-HRTMPFAESA-N 1 0 382.548 3.981 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CC2)c2ccccc2N(CCOC)C3=O)CC1 ZINC001173320806 906370511 /nfs/dbraw/zinc/37/05/11/906370511.db2.gz DLLRHEJSDSHFFW-UHFFFAOYSA-N 1 0 398.547 3.527 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]([NH2+]C3CCC(CC#N)CC3)CO2)C1 ZINC001173330343 906375809 /nfs/dbraw/zinc/37/58/09/906375809.db2.gz QJLZLAUTADZSCU-YMPMHWPESA-N 1 0 377.529 3.607 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001173335334 906377827 /nfs/dbraw/zinc/37/78/27/906377827.db2.gz IEZYYHJYFDWWFW-DFWKGLRPSA-N 1 0 375.538 3.612 20 30 GHEDRO C=CCOC1CCC([NH2+]C2CCN(Cc3cc(F)ccc3OC)CC2)CC1 ZINC001173316984 906389278 /nfs/dbraw/zinc/38/92/78/906389278.db2.gz QMVZNBZONBOPCI-UHFFFAOYSA-N 1 0 376.516 3.902 20 30 GHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173374659 906403606 /nfs/dbraw/zinc/40/36/06/906403606.db2.gz QIQHKNPTDOFLMQ-QBPKDAKJSA-N 1 0 380.529 3.737 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC001173387625 906415774 /nfs/dbraw/zinc/41/57/74/906415774.db2.gz ZFWGWOIATHEVJI-ZACQAIPSSA-N 1 0 380.529 3.738 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3c(F)cc(Cl)cc3F)CC2)cc1 ZINC001173425628 906461330 /nfs/dbraw/zinc/46/13/30/906461330.db2.gz FZLHRXGVGRJYEE-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCCCCCCCCCO)CC2)cc1 ZINC001173425687 906461550 /nfs/dbraw/zinc/46/15/50/906461550.db2.gz BRSCLBHLMOXTKP-UHFFFAOYSA-N 1 0 385.552 3.866 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCc3ccc4ccccc4n3)CC2)cc1 ZINC001173427857 906463460 /nfs/dbraw/zinc/46/34/60/906463460.db2.gz JDTQJDGFNWAQMI-UHFFFAOYSA-N 1 0 384.483 3.543 20 30 GHEDRO CC(C)([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1cc(F)cc(F)c1 ZINC001173427044 906463498 /nfs/dbraw/zinc/46/34/98/906463498.db2.gz PEGTZWHKPHCJQL-UHFFFAOYSA-N 1 0 383.442 3.966 20 30 GHEDRO COc1cccc(CCC[N@H+](C)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173434390 906470121 /nfs/dbraw/zinc/47/01/21/906470121.db2.gz JZQMGNOYTQFXFL-UHFFFAOYSA-N 1 0 391.515 3.736 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@H](C[NH2+]C3CCC(C)(C#N)CC3)CO2)CC1 ZINC001173587194 906545213 /nfs/dbraw/zinc/54/52/13/906545213.db2.gz RUQMJWCRRMPEOD-MPQSDHOMSA-N 1 0 391.556 3.855 20 30 GHEDRO CC1(C#N)CCC(N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001173594852 906548777 /nfs/dbraw/zinc/54/87/77/906548777.db2.gz MWMKCHBTWUOGTP-WNOYLVIBSA-N 1 0 381.568 3.530 20 30 GHEDRO Cc1nc(CN2CCO[C@@H]3CC[N@@H+](C4CCC(C)(C#N)CC4)CC[C@H]32)cs1 ZINC001173596258 906550612 /nfs/dbraw/zinc/55/06/12/906550612.db2.gz PLTRGZPTJYFJQI-JWFWCLOMSA-N 1 0 388.581 3.589 20 30 GHEDRO COc1ccccc1COC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000179755678 906584503 /nfs/dbraw/zinc/58/45/03/906584503.db2.gz MRRLMZWKGJRULG-UHFFFAOYSA-N 1 0 393.487 3.577 20 30 GHEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000629452563 906799490 /nfs/dbraw/zinc/79/94/90/906799490.db2.gz VGUSJBVBUSXADB-LBPRGKRZSA-N 1 0 386.311 3.800 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3Br)C2)C1=O ZINC001276008143 921280560 /nfs/dbraw/zinc/28/05/60/921280560.db2.gz LFZARIBGCZFYTQ-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(C#N)c1C ZINC000181442210 907002350 /nfs/dbraw/zinc/00/23/50/907002350.db2.gz FPRQHDHZJGNKHL-CABCVRRESA-N 1 0 394.475 3.573 20 30 GHEDRO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001174574482 907092608 /nfs/dbraw/zinc/09/26/08/907092608.db2.gz LTFPRXRAPHFAQE-DHIUTWEWSA-N 1 0 391.515 3.615 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3COC4(CCCC4)O3)c2)c1 ZINC000773413506 907247974 /nfs/dbraw/zinc/24/79/74/907247974.db2.gz HJYOSEHONIPSJR-JOCHJYFZSA-N 1 0 378.472 3.913 20 30 GHEDRO C=CC[C@H]1CC[N@@H+](C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C1 ZINC001174891700 907272349 /nfs/dbraw/zinc/27/23/49/907272349.db2.gz VASIEPWDUAUKGG-SIKLNZKXSA-N 1 0 384.545 3.913 20 30 GHEDRO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000191864062 907281225 /nfs/dbraw/zinc/28/12/25/907281225.db2.gz BWHIVBPDJZZDEB-UHFFFAOYSA-N 1 0 385.515 3.760 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001174985108 907334949 /nfs/dbraw/zinc/33/49/49/907334949.db2.gz WJYZECZGXNDDDM-IEBWSBKVSA-N 1 0 398.551 3.938 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183718618 907446071 /nfs/dbraw/zinc/44/60/71/907446071.db2.gz CDAVNSGFZVBFIE-WMZOPIPTSA-N 1 0 389.565 3.940 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)CC1 ZINC000630943053 907540839 /nfs/dbraw/zinc/54/08/39/907540839.db2.gz NTHTWTBVAOIEDV-UHFFFAOYSA-N 1 0 392.425 3.580 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(F)cc(C(F)(F)F)c3)C2=O)cc1 ZINC000192244103 907558237 /nfs/dbraw/zinc/55/82/37/907558237.db2.gz HXSXLJSQQMPYAP-SFHVURJKSA-N 1 0 391.368 3.607 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000184339430 907565574 /nfs/dbraw/zinc/56/55/74/907565574.db2.gz NWDZVZAIECFHAN-FXAWDEMLSA-N 1 0 378.476 3.936 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCn3nccc32)cc1OC ZINC000631300588 907667685 /nfs/dbraw/zinc/66/76/85/907667685.db2.gz HSEYEIINGVAMJS-OAHLLOKOSA-N 1 0 392.297 3.844 20 30 GHEDRO C=CCCC[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC001175774482 907738383 /nfs/dbraw/zinc/73/83/83/907738383.db2.gz DRDMXFUQECDYOU-SFHVURJKSA-N 1 0 395.459 3.751 20 30 GHEDRO COCC#CC[N@@H+]1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001175975698 907848439 /nfs/dbraw/zinc/84/84/39/907848439.db2.gz YYFSLCMWISCUJJ-QUCCMNQESA-N 1 0 378.557 3.822 20 30 GHEDRO C#CC[N@@H+](CCCOc1cccc(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129817 907951304 /nfs/dbraw/zinc/95/13/04/907951304.db2.gz MHQMJGJTWNGQNE-UHFFFAOYSA-N 1 0 397.519 3.662 20 30 GHEDRO C#CC[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129584 907952109 /nfs/dbraw/zinc/95/21/09/907952109.db2.gz FJXDZMHRCCUDCU-AWEZNQCLSA-N 1 0 375.340 3.905 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2)[n+]1cccc(C)c1 ZINC000186962401 908012166 /nfs/dbraw/zinc/01/21/66/908012166.db2.gz AFNASOLXNGNACA-GVDBMIGSSA-O 1 0 384.525 3.604 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cccc(Br)c2C#N)cn1 ZINC001176355772 908070927 /nfs/dbraw/zinc/07/09/27/908070927.db2.gz NYXKKISCBHOVHC-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2ccc(Br)c(F)c2C#N)cn1 ZINC001176359968 908071364 /nfs/dbraw/zinc/07/13/64/908071364.db2.gz IYOYIFHYDRUPFD-UHFFFAOYSA-N 1 0 393.260 3.929 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3nc(-c4ccc(C#N)s4)cs3)cn2)CC1 ZINC001176656640 908223461 /nfs/dbraw/zinc/22/34/61/908223461.db2.gz KYFKJUQOVKWVTR-UHFFFAOYSA-N 1 0 382.518 3.634 20 30 GHEDRO C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188671743 908237860 /nfs/dbraw/zinc/23/78/60/908237860.db2.gz XLYITJSWWJVTHF-IRXDYDNUSA-N 1 0 385.512 3.539 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001176849498 908293128 /nfs/dbraw/zinc/29/31/28/908293128.db2.gz OEKYZKVXXSNNDU-NYXBAERPSA-N 1 0 385.556 3.653 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3([C@@H]4CCCO4)CCC3)sc2C1 ZINC001176940867 908309578 /nfs/dbraw/zinc/30/95/78/908309578.db2.gz WASPNKZJZMWLBW-KDOFPFPSSA-N 1 0 387.549 3.764 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000191679239 908657922 /nfs/dbraw/zinc/65/79/22/908657922.db2.gz SYRURPNWOUYZDA-UHFFFAOYSA-N 1 0 391.450 3.536 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634382094 908698883 /nfs/dbraw/zinc/69/88/83/908698883.db2.gz RUCWAAPWWNDGSL-OALUTQOASA-N 1 0 387.572 3.939 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193809838 908727936 /nfs/dbraw/zinc/72/79/36/908727936.db2.gz AMMDHRRBXSBGPS-JOCHJYFZSA-N 1 0 391.515 3.746 20 30 GHEDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)C#Cc4ccccn4)c4ccccc43)oc-2c1 ZINC001177803937 908762734 /nfs/dbraw/zinc/76/27/34/908762734.db2.gz CWXFITMEUYSHRU-UHFFFAOYSA-N 1 0 390.402 3.950 20 30 GHEDRO O=C(C#Cc1ccccn1)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001177801912 908762995 /nfs/dbraw/zinc/76/29/95/908762995.db2.gz NVGBDEWOQMILTG-RUZDIDTESA-N 1 0 395.506 3.736 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H](C#N)Cc1cccs1 ZINC001177909104 908795662 /nfs/dbraw/zinc/79/56/62/908795662.db2.gz IIOAKWZUCOBXSG-CUWPLCDZSA-N 1 0 381.545 3.799 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H](C#N)Cc1cccs1 ZINC001177909109 908796127 /nfs/dbraw/zinc/79/61/27/908796127.db2.gz IIOAKWZUCOBXSG-DSKINZAPSA-N 1 0 381.545 3.799 20 30 GHEDRO COc1cccc(CN(C(=O)[C@H](C#N)Cc2cccs2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001177916936 908801948 /nfs/dbraw/zinc/80/19/48/908801948.db2.gz APFIKHJQNKBYNS-FHWLQOOXSA-N 1 0 397.544 3.738 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001177916004 908802569 /nfs/dbraw/zinc/80/25/69/908802569.db2.gz RDCAVLHTRRDEIV-NYTIGLCGSA-N 1 0 399.519 3.533 20 30 GHEDRO COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CCC[C@@H](C#N)C3)n2)ccc1O ZINC000192996303 908839576 /nfs/dbraw/zinc/83/95/76/908839576.db2.gz PRXIWTVUJDWRNQ-NVXWUHKLSA-N 1 0 384.480 3.836 20 30 GHEDRO COC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000194168596 908862330 /nfs/dbraw/zinc/86/23/30/908862330.db2.gz ITKQFPOFISKEMW-WOJBJXKFSA-N 1 0 383.879 3.684 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC001178165587 908918879 /nfs/dbraw/zinc/91/88/79/908918879.db2.gz AERMVADJOJVKHN-UHFFFAOYSA-N 1 0 384.785 3.934 20 30 GHEDRO CN1CCCc2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc21 ZINC000195050876 908959256 /nfs/dbraw/zinc/95/92/56/908959256.db2.gz UJKSDVAJXSGRAY-UHFFFAOYSA-N 1 0 391.519 3.536 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cccc2ccccc21 ZINC000195595321 909024211 /nfs/dbraw/zinc/02/42/11/909024211.db2.gz YJEQLUCOMZKBHA-UHFFFAOYSA-N 1 0 387.483 3.681 20 30 GHEDRO O=C(C#Cc1ccc(F)cc1F)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001178569257 909126750 /nfs/dbraw/zinc/12/67/50/909126750.db2.gz UJBWQDSTWKIWLU-SFTDATJTSA-N 1 0 394.465 3.687 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1cc(C)c(F)cc1F)[n+]1ccccc1 ZINC000267325675 909452777 /nfs/dbraw/zinc/45/27/77/909452777.db2.gz NWHNFBIHPGQTQK-UHFFFAOYSA-O 1 0 395.520 3.842 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC001179579136 909588330 /nfs/dbraw/zinc/58/83/30/909588330.db2.gz KMZORIAFHQFQRQ-INIZCTEOSA-N 1 0 390.350 3.760 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H](O)c3ccccc3Cl)CC2)c1 ZINC000299614912 921512370 /nfs/dbraw/zinc/51/23/70/921512370.db2.gz IJOJZJQVXKMZJR-HXUWFJFHSA-N 1 0 383.879 3.596 20 30 GHEDRO CC(C)(C)c1nnc(CNCc2cn(CCC#N)nc2-c2ccccc2)s1 ZINC000268165732 909783965 /nfs/dbraw/zinc/78/39/65/909783965.db2.gz FMOSZKHXVBRTRP-UHFFFAOYSA-N 1 0 380.521 3.903 20 30 GHEDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245743344 909878254 /nfs/dbraw/zinc/87/82/54/909878254.db2.gz FLSQKMUJOSURRW-KNQAVFIVSA-N 1 0 379.504 3.686 20 30 GHEDRO CCOC(=O)Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC001180171362 910005693 /nfs/dbraw/zinc/00/56/93/910005693.db2.gz XMQHWIRUWLUGDS-UHFFFAOYSA-N 1 0 388.471 3.617 20 30 GHEDRO C=CCc1cc(C[NH2+]CCNc2ccc(C(F)(F)F)cn2)cc(OC)c1O ZINC000151044626 910160990 /nfs/dbraw/zinc/16/09/90/910160990.db2.gz XBLXYMKAGDFFGI-UHFFFAOYSA-N 1 0 381.398 3.745 20 30 GHEDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1O ZINC000246314803 910228856 /nfs/dbraw/zinc/22/88/56/910228856.db2.gz FAQNATOPKWBTCK-UZUQRXQVSA-N 1 0 377.488 3.764 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C2(C(=O)NCC3CC3)CCCC2)cc1OC ZINC001180665265 910293973 /nfs/dbraw/zinc/29/39/73/910293973.db2.gz LAVLCPJHIXOWBP-UHFFFAOYSA-N 1 0 392.927 3.842 20 30 GHEDRO N#Cc1cc(CC(=O)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1F ZINC001181182927 910595319 /nfs/dbraw/zinc/59/53/19/910595319.db2.gz RTRZEBMXGJFTSY-HSZRJFAPSA-N 1 0 395.453 3.646 20 30 GHEDRO N#Cc1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ccc1F ZINC001181182722 910595414 /nfs/dbraw/zinc/59/54/14/910595414.db2.gz PNFHUEMPKOGXEY-WKKBNRPRSA-N 1 0 393.506 3.661 20 30 GHEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000271055755 910770444 /nfs/dbraw/zinc/77/04/44/910770444.db2.gz CPMABVQAFCKVNW-FEPNQTLGSA-N 1 0 397.544 3.649 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC2(CCOCC2)C1 ZINC000720238309 911102955 /nfs/dbraw/zinc/10/29/55/911102955.db2.gz PGFXVAPCMISBBW-HNNXBMFYSA-N 1 0 391.537 3.516 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000366492708 921649916 /nfs/dbraw/zinc/64/99/16/921649916.db2.gz VMFRDSDSXBYCJV-OXJNMPFZSA-N 1 0 375.538 3.768 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000092030937 911375527 /nfs/dbraw/zinc/37/55/27/911375527.db2.gz PBZURUZOJTWGAX-INIZCTEOSA-N 1 0 396.466 3.903 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000092031030 911375703 /nfs/dbraw/zinc/37/57/03/911375703.db2.gz YBXPQXFESLFGKL-UHFFFAOYSA-N 1 0 381.451 3.624 20 30 GHEDRO C=CCN(CC=C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366520027 921663729 /nfs/dbraw/zinc/66/37/29/921663729.db2.gz ZUKNYHZKVGZJEO-HXUWFJFHSA-N 1 0 379.508 3.844 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000774241295 911526882 /nfs/dbraw/zinc/52/68/82/911526882.db2.gz BTTMHPIIEGVUQC-BHIYHBOVSA-N 1 0 383.452 3.746 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)c3ccc(C#N)cc3)cc2F)CC1 ZINC001182798867 912028643 /nfs/dbraw/zinc/02/86/43/912028643.db2.gz RWOMDVATQNEOGF-MRXNPFEDSA-N 1 0 380.467 3.581 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)c3ccc(C#N)cc3)cc2F)CC1 ZINC001182798864 912028883 /nfs/dbraw/zinc/02/88/83/912028883.db2.gz RWOMDVATQNEOGF-INIZCTEOSA-N 1 0 380.467 3.581 20 30 GHEDRO COc1cccc(CN(C(=O)[C@H](C)c2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001182797571 912029348 /nfs/dbraw/zinc/02/93/48/912029348.db2.gz BFTDAICYUDVLNM-ZPMCFJSWSA-N 1 0 391.515 3.969 20 30 GHEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000796354128 914900006 /nfs/dbraw/zinc/90/00/06/914900006.db2.gz WHWAKLTXJHAIKQ-PJODQICGSA-N 1 0 388.817 3.846 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000303642768 915031808 /nfs/dbraw/zinc/03/18/08/915031808.db2.gz RKXKOXNGGGBEMD-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCn2c(C)nc3ccccc32)c1 ZINC000303771941 915120880 /nfs/dbraw/zinc/12/08/80/915120880.db2.gz DBPFJWJLMYKXHH-UHFFFAOYSA-N 1 0 381.480 3.569 20 30 GHEDRO [NH2+]=C(NCCSCc1ccccc1F)Nc1ccc2c(c1)OCCCO2 ZINC000303771550 915120949 /nfs/dbraw/zinc/12/09/49/915120949.db2.gz CRQJAZCHENEOQS-UHFFFAOYSA-N 1 0 375.469 3.647 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](CCOc3ccccc3C#N)C2)C1 ZINC000802010812 921752067 /nfs/dbraw/zinc/75/20/67/921752067.db2.gz HOZZCHMSUHFBME-JOCHJYFZSA-N 1 0 385.508 3.660 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1=O ZINC001275597846 915200448 /nfs/dbraw/zinc/20/04/48/915200448.db2.gz JZIHZBAUGAAPQD-IBGZPJMESA-N 1 0 388.309 3.541 20 30 GHEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)N2CCOCC2)cc1 ZINC000303865936 915224468 /nfs/dbraw/zinc/22/44/68/915224468.db2.gz BYGXYFAALCQNHJ-JOCHJYFZSA-N 1 0 380.536 3.919 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccccc3OC)CCCC2)cc1OC ZINC000303876234 915235445 /nfs/dbraw/zinc/23/54/45/915235445.db2.gz HYZVTAIPVDBWFZ-UHFFFAOYSA-N 1 0 383.492 3.951 20 30 GHEDRO N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(Br)cs1 ZINC001275610450 915293023 /nfs/dbraw/zinc/29/30/23/915293023.db2.gz GBDHWBXTWAGRCY-QGZVFWFLSA-N 1 0 396.354 3.771 20 30 GHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2Oc2ccccc2)CC1 ZINC000303895172 915301296 /nfs/dbraw/zinc/30/12/96/915301296.db2.gz TUNNBYREULPPOZ-UHFFFAOYSA-N 1 0 396.491 3.504 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498925 915307957 /nfs/dbraw/zinc/30/79/57/915307957.db2.gz UENOXNRHXHTEPA-NVXWUHKLSA-N 1 0 397.357 3.972 20 30 GHEDRO C[C@H](NC(=[NH2+])NCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000303968597 915343157 /nfs/dbraw/zinc/34/31/57/915343157.db2.gz AXAIAJKQPCSKOG-JTQLQIEISA-N 1 0 383.254 3.737 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccnc(Oc3ccc(F)cc3)c2)cc1OC ZINC000303978002 915346404 /nfs/dbraw/zinc/34/64/04/915346404.db2.gz LWHYEUYZACREDJ-UHFFFAOYSA-N 1 0 396.422 3.957 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(COC(C)(C)C)c2)cc1OC ZINC000303978844 915347411 /nfs/dbraw/zinc/34/74/11/915347411.db2.gz MPHPOGYGNPFUJA-UHFFFAOYSA-N 1 0 385.508 3.623 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(OC)cc2C(F)(F)F)c1 ZINC000303988925 915350186 /nfs/dbraw/zinc/35/01/86/915350186.db2.gz WZAFNXHJXPIHRT-UHFFFAOYSA-N 1 0 383.370 3.658 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(Br)c3F)CC2)C1=O ZINC001275631883 915470431 /nfs/dbraw/zinc/47/04/31/915470431.db2.gz RSZYDLXREONLHM-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO [NH2+]=C(NCc1cc(F)cc(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000304495322 915524868 /nfs/dbraw/zinc/52/48/68/915524868.db2.gz NJZLPLJCAHLGCH-HNNXBMFYSA-N 1 0 378.245 3.516 20 30 GHEDRO [NH2+]=C(NCc1ccc(OCC(F)(F)F)nc1)Nc1cccc2c1CCCC2 ZINC000304654101 915587105 /nfs/dbraw/zinc/58/71/05/915587105.db2.gz HSXULHWXKUZQPT-UHFFFAOYSA-N 1 0 378.398 3.828 20 30 GHEDRO COc1ccc(-n2ccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)n2)cc1 ZINC000304697456 915631908 /nfs/dbraw/zinc/63/19/08/915631908.db2.gz UHSBWWMCYSYPBE-UHFFFAOYSA-N 1 0 375.476 3.687 20 30 GHEDRO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000292410748 915663809 /nfs/dbraw/zinc/66/38/09/915663809.db2.gz PCURBTONWFXBGU-QFIPXVFZSA-N 1 0 399.498 3.588 20 30 GHEDRO Cc1ccoc1C(=O)NCCCNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000304741983 915668663 /nfs/dbraw/zinc/66/86/63/915668663.db2.gz CKFMRQDBIOGBPW-UHFFFAOYSA-N 1 0 392.459 3.927 20 30 GHEDRO CCc1nc(CN2CCC(CNC(=[NH2+])Nc3ccc(CC)cc3)CC2)cs1 ZINC000304752376 915670344 /nfs/dbraw/zinc/67/03/44/915670344.db2.gz KEJRABNAGIKNRU-UHFFFAOYSA-N 1 0 385.581 3.907 20 30 GHEDRO COc1cccc(OCCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000304753699 915670681 /nfs/dbraw/zinc/67/06/81/915670681.db2.gz LHIIEEMXSDGQFR-UHFFFAOYSA-N 1 0 383.370 3.790 20 30 GHEDRO CN(C)C(NCc1cccc(COC2CCOCC2)c1)=[NH+]Cc1ccccc1 ZINC000304760159 915699222 /nfs/dbraw/zinc/69/92/22/915699222.db2.gz SASCXQBMRUFXMV-UHFFFAOYSA-N 1 0 381.520 3.590 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)Oc2cccc(F)c2)c1 ZINC000304790279 915702275 /nfs/dbraw/zinc/70/22/75/915702275.db2.gz KEUBTYSVQJTVOG-CQSZACIVSA-N 1 0 375.444 3.817 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(C)cc2OC(C)(C)C)cc1OC ZINC000304850375 915745312 /nfs/dbraw/zinc/74/53/12/915745312.db2.gz XBUXMFUEVBFUKK-UHFFFAOYSA-N 1 0 399.535 3.837 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC(CC#N)CC2)C1 ZINC000543777833 915872714 /nfs/dbraw/zinc/87/27/14/915872714.db2.gz ZYRGGJVDBFXIID-KDURUIRLSA-N 1 0 382.552 4.000 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(C(=O)c3ccc(-c4ccc(C#N)c(F)c4)cc3)C[C@H]2C1 ZINC001188701071 916122253 /nfs/dbraw/zinc/12/22/53/916122253.db2.gz QNYAJTCLQFHYQI-NHCUHLMSSA-N 1 0 377.463 3.778 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)c2nc(-c3ccccc3)no2)cc1Cl ZINC000305660946 916207865 /nfs/dbraw/zinc/20/78/65/916207865.db2.gz RPKVQDBIJYNCNR-LBPRGKRZSA-N 1 0 385.855 3.929 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)cc3F)CC2)C1=O ZINC001275724203 916405810 /nfs/dbraw/zinc/40/58/10/916405810.db2.gz ONPKVCMAYYVSTO-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(N2CCCC2)n1 ZINC000305842668 916500592 /nfs/dbraw/zinc/50/05/92/916500592.db2.gz ZZVTWGAWAHOKQU-UHFFFAOYSA-N 1 0 393.413 3.816 20 30 GHEDRO N#Cc1cnnc(-c2ccccc2)c1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001189742117 916865376 /nfs/dbraw/zinc/86/53/76/916865376.db2.gz OFDBXDRWMCZTTA-UHFFFAOYSA-N 1 0 387.443 3.846 20 30 GHEDRO COc1ncc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1Cl ZINC000294700096 916940229 /nfs/dbraw/zinc/94/02/29/916940229.db2.gz BEGLBYIXOXSWES-UHFFFAOYSA-N 1 0 381.867 3.811 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)c1ccccc1 ZINC000775400783 917430338 /nfs/dbraw/zinc/43/03/38/917430338.db2.gz MIUFENYBWLHRMR-QGZVFWFLSA-N 1 0 384.501 3.834 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccc(C(C)(C)C#N)c1)[C@H]2C ZINC001190928262 917643586 /nfs/dbraw/zinc/64/35/86/917643586.db2.gz NAFNIHOANIOVBS-KRWDZBQOSA-N 1 0 393.535 3.741 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccncc1 ZINC000796482689 917697411 /nfs/dbraw/zinc/69/74/11/917697411.db2.gz NVYKYWCZCKCZMX-VQTJNVASSA-N 1 0 385.458 3.972 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C#CC(C)(C)O)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001191160775 917793865 /nfs/dbraw/zinc/79/38/65/917793865.db2.gz QPOOYWFYOAKFKB-UXHICEINSA-N 1 0 390.527 3.544 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(F)c(F)c1 ZINC000652180620 917831798 /nfs/dbraw/zinc/83/17/98/917831798.db2.gz ZYIIOPGEZHKNKJ-JSJNYSNDSA-N 1 0 393.478 3.510 20 30 GHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001191243435 917874524 /nfs/dbraw/zinc/87/45/24/917874524.db2.gz CIWJYPDBYLTBAN-OAQYLSRUSA-N 1 0 396.922 3.919 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1=O ZINC001275819792 917947382 /nfs/dbraw/zinc/94/73/82/917947382.db2.gz TYRGWULVGCLOJC-HXUWFJFHSA-N 1 0 385.920 3.521 20 30 GHEDRO C[C@@H]1CN(CC[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@H](C)O1 ZINC001191637107 918086103 /nfs/dbraw/zinc/08/61/03/918086103.db2.gz ZYWWFSVSQFTWEJ-KDURUIRLSA-N 1 0 381.495 3.809 20 30 GHEDRO CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(OCC#N)cc2)CC1 ZINC000796552217 918200701 /nfs/dbraw/zinc/20/07/01/918200701.db2.gz ZTIFSIYFXZXAQZ-HXUWFJFHSA-N 1 0 385.508 3.812 20 30 GHEDRO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC001192122557 918424594 /nfs/dbraw/zinc/42/45/94/918424594.db2.gz RMJFTAXRDWWPDF-KRWDZBQOSA-N 1 0 387.405 3.971 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000796601173 918789752 /nfs/dbraw/zinc/78/97/52/918789752.db2.gz HZIMOZHZZIZMRP-HSZRJFAPSA-N 1 0 375.516 3.585 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C(N)=O)cc1 ZINC000115595201 919457408 /nfs/dbraw/zinc/45/74/08/919457408.db2.gz BSGKCQAKSGSTML-QPPBQGQZSA-N 1 0 394.478 3.988 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000283721590 919629441 /nfs/dbraw/zinc/62/94/41/919629441.db2.gz XQFLFFQUVNNBNL-INIZCTEOSA-N 1 0 388.947 3.738 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000800409600 920042774 /nfs/dbraw/zinc/04/27/74/920042774.db2.gz OKPJNZNRLUSNQE-SFHVURJKSA-N 1 0 384.524 3.586 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cc(Cl)ccc3Br)CC2)C1=O ZINC001275958194 920228953 /nfs/dbraw/zinc/22/89/53/920228953.db2.gz QDLQQUHGCNMNNZ-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO COc1ccc(OC)c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000298157912 920261590 /nfs/dbraw/zinc/26/15/90/920261590.db2.gz GKOLIWFYDVMVEC-UHFFFAOYSA-N 1 0 376.460 3.771 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)[C@@H](C)C1 ZINC000298377696 920465125 /nfs/dbraw/zinc/46/51/25/920465125.db2.gz DGXLEEYCPGLUJL-SOUVJXGZSA-N 1 0 375.538 3.572 20 30 GHEDRO C#Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1 ZINC000900647400 920484499 /nfs/dbraw/zinc/48/44/99/920484499.db2.gz JLWZFFDGMNZRAW-UHFFFAOYSA-N 1 0 387.405 3.691 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3Br)C2)C1=O ZINC001275977329 920620135 /nfs/dbraw/zinc/62/01/35/920620135.db2.gz MZJIDHLBDZJSBH-QGZVFWFLSA-N 1 0 383.717 3.713 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000800993270 920674438 /nfs/dbraw/zinc/67/44/38/920674438.db2.gz JHLRISVDOLJOFS-UGKGYDQZSA-N 1 0 376.500 3.583 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCC(c3nc(C)no3)CC2)ccc1OC ZINC000368359967 922621113 /nfs/dbraw/zinc/62/11/13/922621113.db2.gz FKEYTYORNFGLEZ-DAWZGUTISA-N 1 0 384.480 3.884 20 30 GHEDRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1Br ZINC000903012537 922710222 /nfs/dbraw/zinc/71/02/22/922710222.db2.gz QDQQJRKQWITMSH-YOEHRIQHSA-N 1 0 388.309 3.526 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000368519441 922725106 /nfs/dbraw/zinc/72/51/06/922725106.db2.gz QDWKKKPIRBTTGM-NRFANRHFSA-N 1 0 384.524 3.586 20 30 GHEDRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1cccc(C#N)c1 ZINC000903103428 922775789 /nfs/dbraw/zinc/77/57/89/922775789.db2.gz HUOAJZVWKMZZJX-ZYSHUDEJSA-N 1 0 385.508 3.671 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C12CCOCC2 ZINC000903139976 922801939 /nfs/dbraw/zinc/80/19/39/922801939.db2.gz XOCSFXQFXLOMDG-OALUTQOASA-N 1 0 397.519 3.599 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000368820219 922895816 /nfs/dbraw/zinc/89/58/16/922895816.db2.gz CHPDYIYREUYGQS-SJORKVTESA-N 1 0 387.549 3.768 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000369947832 923761368 /nfs/dbraw/zinc/76/13/68/923761368.db2.gz ZMTFNYXLFDZTFA-SJORKVTESA-N 1 0 375.538 3.768 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cn4c(cccc4C)n3)CC2)C1 ZINC001137295199 924346551 /nfs/dbraw/zinc/34/65/51/924346551.db2.gz CXDXPVMZXOYPFB-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)cc1 ZINC000371422644 924573385 /nfs/dbraw/zinc/57/33/85/924573385.db2.gz NFWBTEKNZIUVQU-KSFYIVLOSA-N 1 0 375.472 3.925 20 30 GHEDRO COc1ccccc1C[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000409790735 925007653 /nfs/dbraw/zinc/00/76/53/925007653.db2.gz IWILCPUZVQIVDF-IBGZPJMESA-N 1 0 393.531 3.726 20 30 GHEDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)[nH]1 ZINC001137375219 925145381 /nfs/dbraw/zinc/14/53/81/925145381.db2.gz LQBLJEYOCCDAIG-QHCPKHFHSA-N 1 0 376.504 3.813 20 30 GHEDRO C=CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000410076006 925295509 /nfs/dbraw/zinc/29/55/09/925295509.db2.gz WEQASKMFRZKPKD-BHIFYINESA-N 1 0 398.934 3.609 20 30 GHEDRO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1N1CCCCC1 ZINC000827478980 925617707 /nfs/dbraw/zinc/61/77/07/925617707.db2.gz RDKVEGPMSOHVMP-UHFFFAOYSA-N 1 0 375.520 3.574 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c[nH]c4ccc(Br)cc34)C2)C1=O ZINC001276104593 925702247 /nfs/dbraw/zinc/70/22/47/925702247.db2.gz MOWUQDRXWLZUOU-IBGZPJMESA-N 1 0 388.309 3.541 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000372852806 925744814 /nfs/dbraw/zinc/74/48/14/925744814.db2.gz WIGFBLKLEYPGOX-YBOAYWMSSA-N 1 0 386.459 3.513 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Br)C1CCOCC1 ZINC000827555250 925803923 /nfs/dbraw/zinc/80/39/23/925803923.db2.gz QOKMONXFPFXGML-OAHLLOKOSA-N 1 0 376.216 3.986 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CCOCC1 ZINC000827559271 925809024 /nfs/dbraw/zinc/80/90/24/925809024.db2.gz DHJHURXGCZNQIR-HNNXBMFYSA-N 1 0 376.216 3.986 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C1CCOCC1 ZINC000827559298 925809050 /nfs/dbraw/zinc/80/90/50/925809050.db2.gz DQUILTNGJCPGRU-QFIPXVFZSA-N 1 0 393.483 3.570 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)c(OC)c(Cl)c3)CC2)C1=O ZINC001276134066 925879631 /nfs/dbraw/zinc/87/96/31/925879631.db2.gz ASZFOCDQGKNAFT-FQEVSTJZSA-N 1 0 395.330 3.840 20 30 GHEDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c2ccccc21 ZINC000373197311 925926097 /nfs/dbraw/zinc/92/60/97/925926097.db2.gz GPDWLKZVVCLKJB-OAQYLSRUSA-N 1 0 385.471 3.546 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682495780 926139134 /nfs/dbraw/zinc/13/91/34/926139134.db2.gz RARVWSWIGISCJR-UHFFFAOYSA-N 1 0 385.733 3.802 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(C#N)cc1 ZINC000411164995 926145293 /nfs/dbraw/zinc/14/52/93/926145293.db2.gz JFLHCJIBTLFVMC-UHFFFAOYSA-N 1 0 396.447 3.716 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)cc(Cl)c3ccccc32)CC1 ZINC000411253793 926247911 /nfs/dbraw/zinc/24/79/11/926247911.db2.gz DTBLCIMWSLXBSG-UHFFFAOYSA-N 1 0 385.895 3.507 20 30 GHEDRO COc1ccccc1C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411368415 926340063 /nfs/dbraw/zinc/34/00/63/926340063.db2.gz VGRDGMLPMJBGNA-UHFFFAOYSA-N 1 0 383.517 3.971 20 30 GHEDRO C[N@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C1CCC(C(C)(C)C)CC1 ZINC000725769949 926431500 /nfs/dbraw/zinc/43/15/00/926431500.db2.gz QYEUUSVMQVLQBS-MCSCQSGASA-N 1 0 396.535 3.819 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC(=O)Nc2cccc3cccnc32)cc1OC ZINC000725852364 926468326 /nfs/dbraw/zinc/46/83/26/926468326.db2.gz YKMJIUCRKPLYKB-UHFFFAOYSA-N 1 0 377.444 3.537 20 30 GHEDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CC1 ZINC000411970931 926954901 /nfs/dbraw/zinc/95/49/01/926954901.db2.gz NYHZTJIYTXJDAA-MDOVXXIYSA-N 1 0 375.538 3.813 20 30 GHEDRO N#CCCN(Cc1ccccn1)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000374333606 927027732 /nfs/dbraw/zinc/02/77/32/927027732.db2.gz VGQQCWDRXSJNTH-UHFFFAOYSA-N 1 0 398.470 3.945 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000749883063 927329005 /nfs/dbraw/zinc/32/90/05/927329005.db2.gz LCPNEXXWPPRUBU-OAQYLSRUSA-N 1 0 394.906 3.576 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)C1C=CC(=NC(C)=O)C=C1)C(=S)N[C@@H](C)CC ZINC000749890487 927332989 /nfs/dbraw/zinc/33/29/89/927332989.db2.gz NUDLOEYUOKUKKZ-HNNXBMFYSA-O 1 0 398.552 3.906 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1OC ZINC000749923752 927349602 /nfs/dbraw/zinc/34/96/02/927349602.db2.gz LUBRTESYKYNOFA-GOSISDBHSA-N 1 0 386.879 3.809 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)s1 ZINC000374819553 927560887 /nfs/dbraw/zinc/56/08/87/927560887.db2.gz NFGJBSQWMZLPCJ-INIZCTEOSA-N 1 0 391.500 3.975 20 30 GHEDRO N#CC1(NC(=O)c2cccc(OC(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000374875785 927639931 /nfs/dbraw/zinc/63/99/31/927639931.db2.gz MDTLYHLOXKBEHP-UHFFFAOYSA-N 1 0 385.414 3.576 20 30 GHEDRO CCOc1ccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000374891724 927660264 /nfs/dbraw/zinc/66/02/64/927660264.db2.gz DEKYLIBTFSOELU-UHFFFAOYSA-N 1 0 391.515 3.692 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000750831587 927880043 /nfs/dbraw/zinc/88/00/43/927880043.db2.gz CBXCSXNINCAHAD-WOJBJXKFSA-N 1 0 397.544 3.604 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=S)NCCC[NH+](C)C)cc1 ZINC000751013556 927981466 /nfs/dbraw/zinc/98/14/66/927981466.db2.gz IEVOMIOCAWMOKZ-UHFFFAOYSA-N 1 0 384.505 3.597 20 30 GHEDRO N#Cc1ncc(C(F)(F)F)cc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000413030598 928122095 /nfs/dbraw/zinc/12/20/95/928122095.db2.gz DDAMOPGJZBHUHO-UHFFFAOYSA-N 1 0 378.373 3.823 20 30 GHEDRO C=CCN1C(=O)[C@]2(CC[N@@H+](Cc3occc3Br)C2)c2ccccc21 ZINC001276248465 928291169 /nfs/dbraw/zinc/29/11/69/928291169.db2.gz KQTGOTJIGAQDED-IBGZPJMESA-N 1 0 387.277 3.718 20 30 GHEDRO C[N@H+](Cc1ccc(OCC#N)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000752038507 928565741 /nfs/dbraw/zinc/56/57/41/928565741.db2.gz DZGYKWIMFBJASU-DFNIBXOVSA-N 1 0 385.508 3.951 20 30 GHEDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000752071513 928583749 /nfs/dbraw/zinc/58/37/49/928583749.db2.gz FEECGFNPHZZRRC-ZFWWWQNUSA-N 1 0 395.450 3.895 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000543988761 928652151 /nfs/dbraw/zinc/65/21/51/928652151.db2.gz HLQAVUZFQHLAOU-MRXNPFEDSA-N 1 0 399.926 3.928 20 30 GHEDRO C[C@@H](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCCCC1 ZINC000544298817 929030739 /nfs/dbraw/zinc/03/07/39/929030739.db2.gz GIAFUYOIJHKJNP-PELRDEGISA-N 1 0 398.551 3.812 20 30 GHEDRO COCCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000544373542 929104577 /nfs/dbraw/zinc/10/45/77/929104577.db2.gz NFPWMHQEJYWDLK-BHIFYINESA-N 1 0 391.515 3.906 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+]2CCCc2cccc(Br)c2)C1=O ZINC001276275282 929135583 /nfs/dbraw/zinc/13/55/83/929135583.db2.gz XHFPLOOTSBXWBP-IBGZPJMESA-N 1 0 377.326 3.635 20 30 GHEDRO COC(=O)[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000753733141 929505682 /nfs/dbraw/zinc/50/56/82/929505682.db2.gz SOEOUTVHLVIXSF-RZFNWQHOSA-N 1 0 391.515 3.663 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757105529 929642924 /nfs/dbraw/zinc/64/29/24/929642924.db2.gz YCUFAOWJVDLJLH-VQIMIIECSA-N 1 0 382.508 3.936 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000469376463 929831520 /nfs/dbraw/zinc/83/15/20/929831520.db2.gz DOHIAHCSXVTJEW-UHFFFAOYSA-N 1 0 393.325 3.544 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)c3ccccc3OCC#N)CCC[N@@H+]2C)cc1 ZINC000757901633 929848151 /nfs/dbraw/zinc/84/81/51/929848151.db2.gz KPXRVABQWCBQMO-GCJKJVERSA-N 1 0 394.471 3.837 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000469410412 929858920 /nfs/dbraw/zinc/85/89/20/929858920.db2.gz QXZKEOPVSRDVJE-UHFFFAOYSA-N 1 0 377.479 3.579 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000469433362 929882740 /nfs/dbraw/zinc/88/27/40/929882740.db2.gz DEVFOAIOFBKPAG-JOCHJYFZSA-N 1 0 378.520 3.856 20 30 GHEDRO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546224626 929971792 /nfs/dbraw/zinc/97/17/92/929971792.db2.gz FSJDVIDRDFEBHW-HXUWFJFHSA-N 1 0 396.922 3.747 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@](C)(CC)C2)c1=S ZINC000758397951 930032166 /nfs/dbraw/zinc/03/21/66/930032166.db2.gz RSHNSWVZFGKYQC-FQEVSTJZSA-N 1 0 377.602 3.708 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1ccc(CC)cc1 ZINC000759054714 930258701 /nfs/dbraw/zinc/25/87/01/930258701.db2.gz NHCRKNCMNSOUBX-UHFFFAOYSA-O 1 0 381.521 3.758 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000759054982 930259486 /nfs/dbraw/zinc/25/94/86/930259486.db2.gz QVBZKVVXRFGJOH-UHFFFAOYSA-O 1 0 387.475 3.984 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000759062598 930260917 /nfs/dbraw/zinc/26/09/17/930260917.db2.gz BSNFRWJVDXWCEN-UHFFFAOYSA-O 1 0 393.532 3.604 20 30 GHEDRO C=CCSCCNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470071049 930360316 /nfs/dbraw/zinc/36/03/16/930360316.db2.gz HRGSGTGJBMHIKY-OAHLLOKOSA-N 1 0 375.460 3.527 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000780677431 930574264 /nfs/dbraw/zinc/57/42/64/930574264.db2.gz GNOWOTYBNLWLRJ-VQIMIIECSA-N 1 0 389.459 3.816 20 30 GHEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000547016843 930616426 /nfs/dbraw/zinc/61/64/26/930616426.db2.gz RPDXVFALXRJWHA-GOTSBHOMSA-N 1 0 379.504 3.703 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)CC1 ZINC000547128694 930721140 /nfs/dbraw/zinc/72/11/40/930721140.db2.gz NPIMKKPOWWRWSQ-UHFFFAOYSA-N 1 0 385.471 3.711 20 30 GHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C2CC2)O1 ZINC000470906157 931018772 /nfs/dbraw/zinc/01/87/72/931018772.db2.gz LMMSSDREYBIDST-KBXCAEBGSA-N 1 0 387.549 3.717 20 30 GHEDRO C[NH+]1CCC(OCC(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000923791755 931149603 /nfs/dbraw/zinc/14/96/03/931149603.db2.gz KCTNLTXEPPBTII-UHFFFAOYSA-N 1 0 392.499 3.540 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000557189287 931259790 /nfs/dbraw/zinc/25/97/90/931259790.db2.gz DXAKQOFCLYRZFL-QFIPXVFZSA-N 1 0 388.515 3.756 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000782807642 931339030 /nfs/dbraw/zinc/33/90/30/931339030.db2.gz SGRXVIVLOQGPPV-YLJYHZDGSA-N 1 0 391.943 3.792 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccccc1CO ZINC000924761874 931528377 /nfs/dbraw/zinc/52/83/77/931528377.db2.gz VQHCATXHELUTRV-QGZVFWFLSA-N 1 0 387.524 3.588 20 30 GHEDRO Cc1onc(CC(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)c1C#N ZINC000924888233 931573923 /nfs/dbraw/zinc/57/39/23/931573923.db2.gz FIJPARKZKFPWIV-UHFFFAOYSA-N 1 0 392.381 3.651 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1ccccc1O ZINC000924899570 931577737 /nfs/dbraw/zinc/57/77/37/931577737.db2.gz WTIOKUPEZQNKOH-QGZVFWFLSA-N 1 0 387.524 3.844 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](O)c1ccsc1 ZINC000925111624 931650802 /nfs/dbraw/zinc/65/08/02/931650802.db2.gz RZFKCBYCRDUCLK-WBVHZDCISA-N 1 0 393.553 3.691 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c(-c2ccccc2)n1 ZINC000557863346 931729437 /nfs/dbraw/zinc/72/94/37/931729437.db2.gz BXAIRVAWQIIHRB-FQEVSTJZSA-N 1 0 388.471 3.783 20 30 GHEDRO COCCC1(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925566690 931825378 /nfs/dbraw/zinc/82/53/78/931825378.db2.gz FJOPLPUYRQHSMQ-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cccc(F)n1 ZINC000925591336 931834320 /nfs/dbraw/zinc/83/43/20/931834320.db2.gz AWZIEZITAQUUPH-HNNXBMFYSA-N 1 0 376.476 3.630 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000558148034 931858527 /nfs/dbraw/zinc/85/85/27/931858527.db2.gz MXSPXPUHBBHOIS-JTSKRJEESA-N 1 0 391.490 3.756 20 30 GHEDRO CSc1ccccc1NC(=O)CC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000558172876 931871032 /nfs/dbraw/zinc/87/10/32/931871032.db2.gz KRJBDDUKTFTDRA-UHFFFAOYSA-N 1 0 383.517 3.757 20 30 GHEDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925702550 931881221 /nfs/dbraw/zinc/88/12/21/931881221.db2.gz BPGPFFKIAPHDMG-QZTJIDSGSA-N 1 0 393.572 3.693 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1C#N ZINC000784512650 931920495 /nfs/dbraw/zinc/92/04/95/931920495.db2.gz FTSQVFZKCOEMCW-YTQUADARSA-N 1 0 385.508 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@@H]21 ZINC000784518594 931922730 /nfs/dbraw/zinc/92/27/30/931922730.db2.gz UHTCPTMKBYCEBG-YSIASYRMSA-N 1 0 385.508 3.562 20 30 GHEDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)Nc1ccc(CCC#N)cc1 ZINC000926193569 932079000 /nfs/dbraw/zinc/07/90/00/932079000.db2.gz ODQIAJBALLNUIO-KRWDZBQOSA-N 1 0 383.521 3.551 20 30 GHEDRO C=CCSc1ccccc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000926245247 932096768 /nfs/dbraw/zinc/09/67/68/932096768.db2.gz UHWIAAUQYUUSQI-HROGELHOSA-N 1 0 388.577 3.564 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)cc1 ZINC000558606524 932103301 /nfs/dbraw/zinc/10/33/01/932103301.db2.gz POKNKUKVDQCXAJ-QUCCMNQESA-N 1 0 383.536 3.681 20 30 GHEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796948659 932118388 /nfs/dbraw/zinc/11/83/88/932118388.db2.gz NDVDWFUJLKNROQ-LAUBAEHRSA-N 1 0 398.551 3.762 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1F ZINC000796955332 932121899 /nfs/dbraw/zinc/12/18/99/932121899.db2.gz WESHMWGVYZNTDX-UHFFFAOYSA-N 1 0 398.457 3.753 20 30 GHEDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796974631 932130991 /nfs/dbraw/zinc/13/09/91/932130991.db2.gz GWGMXJCQOVPDNG-QGZVFWFLSA-N 1 0 386.540 3.762 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000558674994 932157863 /nfs/dbraw/zinc/15/78/63/932157863.db2.gz YIKCAQGJZFSIPW-KRWDZBQOSA-N 1 0 376.508 3.677 20 30 GHEDRO CCc1ncc(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000926538218 932221278 /nfs/dbraw/zinc/22/12/78/932221278.db2.gz RNBALSIYBDHDPQ-OAHLLOKOSA-N 1 0 376.501 3.646 20 30 GHEDRO CCn1cc([C@@H](C)[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000926541540 932222335 /nfs/dbraw/zinc/22/23/35/932222335.db2.gz KBCBLOIHTKPOSI-IAGOWNOFSA-N 1 0 389.544 3.873 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC#Cc1cccc(F)c1 ZINC000558916135 932313746 /nfs/dbraw/zinc/31/37/46/932313746.db2.gz YVNHYWVBYGFAEH-MOJGAOKDSA-N 1 0 393.506 3.633 20 30 GHEDRO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)cc1C#N ZINC000926966033 932365959 /nfs/dbraw/zinc/36/59/59/932365959.db2.gz VCSRVAOZBFYTPW-IBGZPJMESA-N 1 0 387.405 3.992 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000559003565 932367571 /nfs/dbraw/zinc/36/75/71/932367571.db2.gz KFIPLQHWGUHXAJ-LJQANCHMSA-N 1 0 378.524 3.561 20 30 GHEDRO C[C@@]1(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000798469168 932658349 /nfs/dbraw/zinc/65/83/49/932658349.db2.gz NKGXKEWEPXXLBE-VWNXMTODSA-N 1 0 388.515 3.757 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccnc2)c2cc(C)ccc2Cl)CC1 ZINC000798654399 932726668 /nfs/dbraw/zinc/72/66/68/932726668.db2.gz QSRZMBHXPRQFBO-UHFFFAOYSA-N 1 0 381.907 3.922 20 30 GHEDRO C=CC[C@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccccc1 ZINC000777655620 932741894 /nfs/dbraw/zinc/74/18/94/932741894.db2.gz GBTFLWKPHMIZDK-NRFANRHFSA-N 1 0 395.522 3.944 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000559594339 932747788 /nfs/dbraw/zinc/74/77/88/932747788.db2.gz ADMOIKIJEJUGEL-AWEZNQCLSA-N 1 0 399.457 3.685 20 30 GHEDRO CCC(CC)(CNC(=O)C(=O)Nc1sccc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000559643311 932776203 /nfs/dbraw/zinc/77/62/03/932776203.db2.gz CVRZDXGQDNPVTH-OAHLLOKOSA-N 1 0 398.532 3.584 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000799164497 932895143 /nfs/dbraw/zinc/89/51/43/932895143.db2.gz KMCRWRBDTRIAMA-ROUUACIJSA-N 1 0 379.545 3.760 20 30 GHEDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000559919147 932955278 /nfs/dbraw/zinc/95/52/78/932955278.db2.gz LYJUPDCYQOHRCS-ZDUSSCGKSA-N 1 0 380.872 3.865 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC(c4ccccc4Cl)C3)C2=O)cc1 ZINC000560506382 933298383 /nfs/dbraw/zinc/29/83/83/933298383.db2.gz XUQOHTNWWBYXCO-WIXQSORDSA-N 1 0 379.891 3.848 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001116044971 933303465 /nfs/dbraw/zinc/30/34/65/933303465.db2.gz PHLJDXFFEQFFEQ-OALUTQOASA-N 1 0 379.464 3.740 20 30 GHEDRO CN(C(=O)Nc1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001116180874 933388547 /nfs/dbraw/zinc/38/85/47/933388547.db2.gz XBGJXHFBQRNLCU-HXUWFJFHSA-N 1 0 378.476 3.717 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3ccc(C(F)F)c(F)c3)CC2)cc1 ZINC000929581025 933523398 /nfs/dbraw/zinc/52/33/98/933523398.db2.gz FFQNLGPZKBKUQL-UHFFFAOYSA-N 1 0 387.405 3.983 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC001116382080 933526758 /nfs/dbraw/zinc/52/67/58/933526758.db2.gz GJJBQEUOWHEIGO-HKBOAZHASA-N 1 0 380.467 3.915 20 30 GHEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](CC3CCC(C#N)CC3)CC2)cs1 ZINC000929818352 933649781 /nfs/dbraw/zinc/64/97/81/933649781.db2.gz SCGHJSCKESLPSN-WWDZGPRUSA-N 1 0 376.570 3.688 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)c1 ZINC000929926952 933711172 /nfs/dbraw/zinc/71/11/72/933711172.db2.gz HNJPEAGILNOHMH-ZWKOTPCHSA-N 1 0 395.425 3.709 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000929943440 933721163 /nfs/dbraw/zinc/72/11/63/933721163.db2.gz UUJBXCZMJIHKCJ-HDICACEKSA-N 1 0 376.460 3.684 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000561137705 933906017 /nfs/dbraw/zinc/90/60/17/933906017.db2.gz KYJVFJLFAPXPPA-FXAWDEMLSA-N 1 0 390.405 3.984 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000561283302 934021207 /nfs/dbraw/zinc/02/12/07/934021207.db2.gz SLLUSQAAEMHHJA-XMMPIXPASA-N 1 0 376.500 3.990 20 30 GHEDRO CCN(CCC[NH+](C)C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561295950 934031165 /nfs/dbraw/zinc/03/11/65/934031165.db2.gz UYELHVJSFNFHFP-UHFFFAOYSA-N 1 0 390.959 3.618 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000930694552 934188791 /nfs/dbraw/zinc/18/87/91/934188791.db2.gz BJRIKKSGSGZTGW-SFHVURJKSA-N 1 0 394.437 3.678 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000561899689 934547258 /nfs/dbraw/zinc/54/72/58/934547258.db2.gz HXSBYKOYKJTLAK-HNNXBMFYSA-N 1 0 381.442 3.911 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)s1)Cc1ccc(Br)cc1 ZINC000561976859 934600827 /nfs/dbraw/zinc/60/08/27/934600827.db2.gz UFPWMEDDILPPRS-UHFFFAOYSA-N 1 0 378.339 3.946 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001121502617 934676372 /nfs/dbraw/zinc/67/63/72/934676372.db2.gz RQEGVMIEAZEMRT-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001121629419 934719427 /nfs/dbraw/zinc/71/94/27/934719427.db2.gz SZOTXSSAEXBELU-LJQANCHMSA-N 1 0 383.496 3.532 20 30 GHEDRO C=CCn1c([C@@H](C)c2ccc(OC)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121678874 934735366 /nfs/dbraw/zinc/73/53/66/934735366.db2.gz AIVQSFPDYSTHFJ-KRWDZBQOSA-N 1 0 383.540 3.591 20 30 GHEDRO N#Cc1csc(CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)n1 ZINC000931824262 934736916 /nfs/dbraw/zinc/73/69/16/934736916.db2.gz NTVPFRLNDSVGMP-UHFFFAOYSA-N 1 0 387.534 3.524 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)C1 ZINC001122118093 934825309 /nfs/dbraw/zinc/82/53/09/934825309.db2.gz HEAJONSFABPMRN-FQEVSTJZSA-N 1 0 394.567 3.686 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)CCC#N)n2CCc2ccccc2)CC1 ZINC001122214025 934844228 /nfs/dbraw/zinc/84/42/28/934844228.db2.gz CAPGULHCYAVXGZ-HXUWFJFHSA-N 1 0 394.567 3.849 20 30 GHEDRO C=C(C)Cn1c(-c2cscn2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122435045 934868871 /nfs/dbraw/zinc/86/88/71/934868871.db2.gz NXFKTIKYXAPQIF-UHFFFAOYSA-N 1 0 386.569 3.823 20 30 GHEDRO C=C(C)Cn1c(-c2csc(C)n2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001122463240 934875668 /nfs/dbraw/zinc/87/56/68/934875668.db2.gz IPAKOJJWGHPWRG-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122482680 934880054 /nfs/dbraw/zinc/88/00/54/934880054.db2.gz OJZSIWNYTPDMIV-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122556867 934898834 /nfs/dbraw/zinc/89/88/34/934898834.db2.gz GMTAAQSKKRWNHT-LJQANCHMSA-N 1 0 387.572 3.533 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2CC(C)C)C1 ZINC001122723070 934962807 /nfs/dbraw/zinc/96/28/07/934962807.db2.gz GRTQIOHEPMFMJS-XXBNENTESA-N 1 0 398.599 3.828 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2CC(C)C)C1 ZINC001122814997 934996549 /nfs/dbraw/zinc/99/65/49/934996549.db2.gz XPIFZUPJWDXZRC-AUSIDOKSSA-N 1 0 398.599 3.828 20 30 GHEDRO CN(c1nnc(C(C)(C)CC#N)n1CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001123587995 935230236 /nfs/dbraw/zinc/23/02/36/935230236.db2.gz DVSIIMLIFXTQNX-HXUWFJFHSA-N 1 0 392.551 3.590 20 30 GHEDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000828342789 935615682 /nfs/dbraw/zinc/61/56/82/935615682.db2.gz PIWRXWIPDVMWLD-UWJYYQICSA-N 1 0 377.488 3.692 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)c(C)c3)C2)C1=O ZINC001137614080 935628754 /nfs/dbraw/zinc/62/87/54/935628754.db2.gz KPQOUZQTGPMDJU-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CCN(Cc1cccc(F)c1Br)CC2 ZINC001137716863 935744034 /nfs/dbraw/zinc/74/40/34/935744034.db2.gz BLNXWLWBRTUTTN-UHFFFAOYSA-N 1 0 397.288 3.809 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC001137900105 935854715 /nfs/dbraw/zinc/85/47/15/935854715.db2.gz QNDQXYNNPDXTOB-IBGZPJMESA-N 1 0 375.394 3.825 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)cc1 ZINC001137902905 935856748 /nfs/dbraw/zinc/85/67/48/935856748.db2.gz XBZBKXMZFHUFMR-UHFFFAOYSA-N 1 0 390.487 3.743 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137904209 935857956 /nfs/dbraw/zinc/85/79/56/935857956.db2.gz RLYZARRLNFERSW-XMMPIXPASA-N 1 0 392.547 3.869 20 30 GHEDRO Cc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1N1CCCCC1 ZINC000830003516 935889202 /nfs/dbraw/zinc/88/92/02/935889202.db2.gz YBMPWDJVXOAZKV-UHFFFAOYSA-N 1 0 375.520 3.574 20 30 GHEDRO C[Si](C)(C)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000830397582 935940238 /nfs/dbraw/zinc/94/02/38/935940238.db2.gz MXPSCDKSZPWXEZ-UHFFFAOYSA-N 1 0 389.579 3.694 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001626103696 1014888460 /nfs/dbraw/zinc/88/84/60/1014888460.db2.gz YGGRVWQEYJENJL-MRXNPFEDSA-N 1 0 379.464 3.517 20 30 GHEDRO N#Cc1ccc(OCCNc2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)cc1 ZINC001171485137 1014964846 /nfs/dbraw/zinc/96/48/46/1014964846.db2.gz CBXGIUOUGVKGSA-LJQANCHMSA-N 1 0 375.476 3.713 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CCO2 ZINC001171485548 1014965450 /nfs/dbraw/zinc/96/54/50/1014965450.db2.gz VJQDFXWUBPPSBF-CNNODRBYSA-N 1 0 377.475 3.896 20 30 GHEDRO CC[C@@H](CC(F)(F)F)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000544855237 1015109195 /nfs/dbraw/zinc/10/91/95/1015109195.db2.gz UGIYIDPPSRNEMH-KRWDZBQOSA-N 1 0 382.430 3.507 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 ZINC000468261664 1015519583 /nfs/dbraw/zinc/51/95/83/1015519583.db2.gz PMHWXFYPOPFNEI-UHFFFAOYSA-N 1 0 388.471 3.985 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000545162225 1015598472 /nfs/dbraw/zinc/59/84/72/1015598472.db2.gz AHEOPEGVDWWRMU-UHFFFAOYSA-N 1 0 375.472 3.519 20 30 GHEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000468391997 1015659870 /nfs/dbraw/zinc/65/98/70/1015659870.db2.gz IOCHOXXPYXVSMV-GOSISDBHSA-N 1 0 381.495 3.856 20 30 GHEDRO N#CC1(NC(=O)Cc2ccc(Cl)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000468431021 1015702103 /nfs/dbraw/zinc/70/21/03/1015702103.db2.gz YWIMCDYUZDLTGG-UHFFFAOYSA-N 1 0 385.870 3.696 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[C@]12CCCO2 ZINC000545350121 1015797425 /nfs/dbraw/zinc/79/74/25/1015797425.db2.gz QWFWOQIIUPPEOE-WXFUMESZSA-N 1 0 392.499 3.953 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCCC1 ZINC000545354733 1015803209 /nfs/dbraw/zinc/80/32/09/1015803209.db2.gz ODVZRVLWZSYVTL-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000468717648 1015948188 /nfs/dbraw/zinc/94/81/88/1015948188.db2.gz BLKYSDZOGJBPRE-SFHVURJKSA-N 1 0 381.495 3.856 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(F)cc2I)no1 ZINC001206094355 1033716670 /nfs/dbraw/zinc/71/66/70/1033716670.db2.gz JCKGZTNGBVKBGF-UHFFFAOYSA-N 1 0 399.207 3.589 20 30 GHEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000469034539 1016358457 /nfs/dbraw/zinc/35/84/57/1016358457.db2.gz RBYNQUCSTVNNNL-GCJKJVERSA-N 1 0 378.520 3.631 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000546711505 1016723863 /nfs/dbraw/zinc/72/38/63/1016723863.db2.gz MMCZMIJOMRVBMG-YPGOJHLTSA-N 1 0 392.503 3.845 20 30 GHEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470781079 1016885574 /nfs/dbraw/zinc/88/55/74/1016885574.db2.gz JLBJZCLZSDEOFZ-DQEYMECFSA-N 1 0 385.511 3.626 20 30 GHEDRO COc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1OCCCC#N ZINC000557866034 1017063849 /nfs/dbraw/zinc/06/38/49/1017063849.db2.gz DKEVMUPOVUZYAO-GOSISDBHSA-N 1 0 382.460 3.697 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)N[C@@H](c3ccc(F)cc3)C3CC[NH2+]CC3)c21 ZINC001221033813 1032245236 /nfs/dbraw/zinc/24/52/36/1032245236.db2.gz KRZZSQQTLCDQAO-QHCPKHFHSA-N 1 0 390.462 3.578 20 30 GHEDRO C#CCN(C(=O)N[C@H](Cc1ccccc1)c1cccs1)C1CC[NH+](C)CC1 ZINC001227412466 1032409723 /nfs/dbraw/zinc/40/97/23/1032409723.db2.gz VOYVGBVQPZWDGE-HXUWFJFHSA-N 1 0 381.545 3.771 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(OCC)ncc3Cl)CC2)C1=O ZINC001277207441 1032413354 /nfs/dbraw/zinc/41/33/54/1032413354.db2.gz KVBHVQMPBCEHCN-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO C[N@@H+]1CC[C@@H](Oc2ccc(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)cc2)C1 ZINC001227593834 1032477689 /nfs/dbraw/zinc/47/76/89/1032477689.db2.gz STVWIEPFHQCORH-IBEJZYAPSA-N 1 0 391.467 3.730 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155602704 1032594885 /nfs/dbraw/zinc/59/48/85/1032594885.db2.gz OSBPOKLXZMMEEZ-CWTRNNRKSA-N 1 0 391.302 3.984 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000558009740 1017090348 /nfs/dbraw/zinc/09/03/48/1017090348.db2.gz AFVLBPCXGQPSSD-XMSQKQJNSA-N 1 0 389.499 3.836 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000925549694 1017102612 /nfs/dbraw/zinc/10/26/12/1017102612.db2.gz ITGNFWNARIJXGC-WBVHZDCISA-N 1 0 387.528 3.696 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000558278904 1017156640 /nfs/dbraw/zinc/15/66/40/1017156640.db2.gz RBAMALNYROCOTR-CZUORRHYSA-N 1 0 396.413 3.590 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2SCc2csc(C)n2)CC1 ZINC000928659702 1017542718 /nfs/dbraw/zinc/54/27/18/1017542718.db2.gz YAVMJJXUBHYUPO-UHFFFAOYSA-N 1 0 385.558 3.571 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)cc2)ccn1 ZINC000931488075 1017990433 /nfs/dbraw/zinc/99/04/33/1017990433.db2.gz NJCNPEGINBIRDX-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)cc1 ZINC001204299981 1032741003 /nfs/dbraw/zinc/74/10/03/1032741003.db2.gz HGMFFJLUHKGSNT-UHFFFAOYSA-N 1 0 392.425 3.773 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)cc1 ZINC001204300399 1032741106 /nfs/dbraw/zinc/74/11/06/1032741106.db2.gz MWPAMIBYQKUUKU-UHFFFAOYSA-N 1 0 391.515 3.804 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000932235731 1018153231 /nfs/dbraw/zinc/15/32/31/1018153231.db2.gz UTVWGLNQVOHFLZ-WMZOPIPTSA-N 1 0 394.441 3.535 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)COC1CC[NH+](C)CC1 ZINC000932480974 1018344397 /nfs/dbraw/zinc/34/43/97/1018344397.db2.gz OQOYIUPVIQRAKO-UHFFFAOYSA-N 1 0 395.478 3.650 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Nc3ccccn3)CC2)cc1Cl ZINC000562700093 1018549214 /nfs/dbraw/zinc/54/92/14/1018549214.db2.gz KVNZQLUHOJLINN-UHFFFAOYSA-N 1 0 383.883 3.512 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000562795265 1018651093 /nfs/dbraw/zinc/65/10/93/1018651093.db2.gz NYFPAWLCTUFUOI-HXUWFJFHSA-N 1 0 378.524 3.852 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3nc(CC45CCC[NH+]4CCC5)no3)cc2)nc1 ZINC000562846172 1018704234 /nfs/dbraw/zinc/70/42/34/1018704234.db2.gz ORIHSKMUBMUOEP-UHFFFAOYSA-N 1 0 387.443 3.966 20 30 GHEDRO OCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 ZINC000932947931 1018779698 /nfs/dbraw/zinc/77/96/98/1018779698.db2.gz IHLUMRHFTATWIN-TXEJJXNPSA-N 1 0 389.286 3.782 20 30 GHEDRO FC1(F)[C@H]2CN(CCC[NH+]3CCCCC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932949664 1018780525 /nfs/dbraw/zinc/78/05/25/1018780525.db2.gz PSRYROFIGGZFMJ-RYUDHWBXSA-N 1 0 394.350 3.965 20 30 GHEDRO CC1CC[NH+](CCN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000932951075 1018782633 /nfs/dbraw/zinc/78/26/33/1018782633.db2.gz UGPPTKKZCKAZMS-VXGBXAGGSA-N 1 0 394.350 3.821 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000778168406 1018877517 /nfs/dbraw/zinc/87/75/17/1018877517.db2.gz CTFSLVXYTMNTQM-UHFFFAOYSA-N 1 0 396.918 3.994 20 30 GHEDRO N#C[C@H]1CC[C@@H](Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000564807164 1019115021 /nfs/dbraw/zinc/11/50/21/1019115021.db2.gz CEDSMRXEYRJBSG-LEWJYISDSA-N 1 0 375.520 3.550 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001204370484 1032811440 /nfs/dbraw/zinc/81/14/40/1032811440.db2.gz ADDGEORQGXAHFZ-XZOQPEGZSA-N 1 0 377.488 3.541 20 30 GHEDRO CC[C@@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)OCCc2ccccc21 ZINC000567653599 1019326533 /nfs/dbraw/zinc/32/65/33/1019326533.db2.gz CMEQXZONMILLDK-DEOSSOPVSA-N 1 0 375.516 3.995 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000567685712 1019331201 /nfs/dbraw/zinc/33/12/01/1019331201.db2.gz JRUDVEOGRRVZGU-FXAWDEMLSA-N 1 0 386.879 3.649 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000569382167 1019484327 /nfs/dbraw/zinc/48/43/27/1019484327.db2.gz UDILOPVLMADQEC-HUUCEWRRSA-N 1 0 378.501 3.866 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cn(C(C)=O)c3ccccc13)C2 ZINC001204409282 1032834349 /nfs/dbraw/zinc/83/43/49/1032834349.db2.gz QNTBJEMOVCECCT-XZOQPEGZSA-N 1 0 382.504 3.875 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2cccc(C#N)c2)C1 ZINC000569520060 1019496823 /nfs/dbraw/zinc/49/68/23/1019496823.db2.gz BCAFDIUFGKNCFH-LJQANCHMSA-N 1 0 390.531 3.832 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)C(C)C ZINC000043847090 1019527733 /nfs/dbraw/zinc/52/77/33/1019527733.db2.gz JTPRJGGOHPXNQJ-FQEVSTJZSA-N 1 0 384.524 3.634 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](c3ccccc3)C3(CO)CCC3)C2=O)cc1 ZINC000569984068 1019546086 /nfs/dbraw/zinc/54/60/86/1019546086.db2.gz SBKOOHUVWQDJDE-FGZHOGPDSA-N 1 0 389.499 3.547 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](c3ccccc3)C3(CO)CCC3)C2=O)cc1 ZINC000569984070 1019546384 /nfs/dbraw/zinc/54/63/84/1019546384.db2.gz SBKOOHUVWQDJDE-YADHBBJMSA-N 1 0 389.499 3.547 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC001204414136 1032843116 /nfs/dbraw/zinc/84/31/16/1032843116.db2.gz UWPAPHBAUZODAV-UHFFFAOYSA-N 1 0 384.398 3.806 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC001204415814 1032843968 /nfs/dbraw/zinc/84/39/68/1032843968.db2.gz WYSSDVXKKOKMGQ-UHFFFAOYSA-N 1 0 376.382 3.564 20 30 GHEDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000572096466 1019739607 /nfs/dbraw/zinc/73/96/07/1019739607.db2.gz JNBMVXUUBYBRTH-OAQYLSRUSA-N 1 0 385.471 3.769 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CCSCc2cccc3ccccc32)CCOCC1 ZINC000600719936 1020223798 /nfs/dbraw/zinc/22/37/98/1020223798.db2.gz MBLXYFLQHHQWPU-FQEVSTJZSA-N 1 0 384.545 3.734 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)nc1 ZINC000577814264 1020292184 /nfs/dbraw/zinc/29/21/84/1020292184.db2.gz QNUNLBACNXUTOR-GOSISDBHSA-N 1 0 379.851 3.650 20 30 GHEDRO C=CC[C@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000779353455 1020739626 /nfs/dbraw/zinc/73/96/26/1020739626.db2.gz YQPWDXFYFTXLQP-BWAGFHJFSA-N 1 0 378.520 3.909 20 30 GHEDRO N#CC(CC[N@@H+]1CCC[C@@H](C2OCCO2)C1)(c1ccccc1)c1ccccc1 ZINC000193048828 1020909933 /nfs/dbraw/zinc/90/99/33/1020909933.db2.gz OVIDNFOXBPQHPE-HXUWFJFHSA-N 1 0 376.500 3.971 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001228452552 1032942200 /nfs/dbraw/zinc/94/22/00/1032942200.db2.gz DWTIUMZMPYXEIT-UHFFFAOYSA-N 1 0 382.533 3.914 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)cc1 ZINC000245789374 1021026302 /nfs/dbraw/zinc/02/63/02/1021026302.db2.gz VWCIWQIZIHBFMK-NHCUHLMSSA-N 1 0 393.531 3.700 20 30 GHEDRO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093054206 1021090878 /nfs/dbraw/zinc/09/08/78/1021090878.db2.gz VWCIWQIZIHBFMK-RTWAWAEBSA-N 1 0 393.531 3.700 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)cc3F)C2)C1=O ZINC001204549562 1032964394 /nfs/dbraw/zinc/96/43/94/1032964394.db2.gz BPSCTZLPAWVIPJ-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000834795157 1021485812 /nfs/dbraw/zinc/48/58/12/1021485812.db2.gz CZYZMUUROIFKCT-UHFFFAOYSA-N 1 0 393.487 3.867 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902790580 1021540544 /nfs/dbraw/zinc/54/05/44/1021540544.db2.gz QROFPTHFCRGKSG-CYBMUJFWSA-N 1 0 375.398 3.687 20 30 GHEDRO COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(OC)c1 ZINC000834881514 1021606503 /nfs/dbraw/zinc/60/65/03/1021606503.db2.gz RUFFYCSTSBVEFY-CVEARBPZSA-N 1 0 384.476 3.897 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC[C@H]1O ZINC001140437060 1021704257 /nfs/dbraw/zinc/70/42/57/1021704257.db2.gz AYCBQDWVRKKVEO-MGPUTAFESA-N 1 0 383.492 3.889 20 30 GHEDRO COc1ccc([C@H](C[N@H+](C)Cc2ccc(C#N)nc2)C2(O)CCCCC2)cc1 ZINC001140545936 1021945191 /nfs/dbraw/zinc/94/51/91/1021945191.db2.gz QIBJUOWDUKJJOW-QFIPXVFZSA-N 1 0 379.504 3.873 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1 ZINC001140598932 1022042687 /nfs/dbraw/zinc/04/26/87/1022042687.db2.gz JXERSRMJRRVQGZ-HXUWFJFHSA-N 1 0 397.906 3.947 20 30 GHEDRO CC(=O)c1ccc(C#N)cc1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000754049253 1022444583 /nfs/dbraw/zinc/44/45/83/1022444583.db2.gz COCPXUBJNNNUBQ-UHFFFAOYSA-N 1 0 381.451 3.855 20 30 GHEDRO CC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001140755965 1022446981 /nfs/dbraw/zinc/44/69/81/1022446981.db2.gz ZWKOLYFJDSCUBP-LJQANCHMSA-N 1 0 385.458 3.559 20 30 GHEDRO CC(C)[N@H+]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)[C@H](C)C1 ZINC000754256539 1022565219 /nfs/dbraw/zinc/56/52/19/1022565219.db2.gz BAXZWTINPUMFDP-GFCCVEGCSA-N 1 0 378.402 3.685 20 30 GHEDRO COCCOc1cccc(N2CCN(Cc3cccc(C#N)c3Cl)CC2)c1 ZINC001140812837 1022608136 /nfs/dbraw/zinc/60/81/36/1022608136.db2.gz NDJNSAVNIZPKMF-UHFFFAOYSA-N 1 0 385.895 3.559 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccc(-c3ncccn3)c1)CCO2 ZINC001140977959 1023065468 /nfs/dbraw/zinc/06/54/68/1023065468.db2.gz KATCSTVYHGCUDH-JTHBVZDNSA-N 1 0 379.504 3.717 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(Br)cc1 ZINC000836519891 1023068752 /nfs/dbraw/zinc/06/87/52/1023068752.db2.gz OOAUHEMXSSFKSY-MAUKXSAKSA-N 1 0 392.341 3.543 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)cc3nc(C)oc32)CC1 ZINC000836531489 1023085573 /nfs/dbraw/zinc/08/55/73/1023085573.db2.gz YIPGTSIOHZIVPN-UHFFFAOYSA-N 1 0 393.285 3.671 20 30 GHEDRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000755208491 1023128030 /nfs/dbraw/zinc/12/80/30/1023128030.db2.gz YBODAVQZENBBDP-KRWDZBQOSA-N 1 0 395.322 3.564 20 30 GHEDRO C#Cc1cccc(CNC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000836655995 1023216084 /nfs/dbraw/zinc/21/60/84/1023216084.db2.gz NOFQGFAWVVQPGM-HSZRJFAPSA-N 1 0 375.516 3.722 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075357 1023435314 /nfs/dbraw/zinc/43/53/14/1023435314.db2.gz NVBIUOCXMOBTCB-NOZRDPDXSA-N 1 0 396.575 3.959 20 30 GHEDRO N#Cc1c(N)sc(CN2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1Cl ZINC001141113431 1023529177 /nfs/dbraw/zinc/52/91/77/1023529177.db2.gz YNSSOCVYAKVNBX-PHIMTYICSA-N 1 0 381.892 3.885 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1Cl ZINC001141114294 1023531509 /nfs/dbraw/zinc/53/15/09/1023531509.db2.gz KTBXSSVPWDYPDC-HXUWFJFHSA-N 1 0 386.952 3.953 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=NNCc2cccc(Cl)c2)CC1 ZINC000756826950 1023827721 /nfs/dbraw/zinc/82/77/21/1023827721.db2.gz GTKRUCNPGKXGAS-UHFFFAOYSA-N 1 0 377.319 3.869 20 30 GHEDRO C#CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000757035375 1023914336 /nfs/dbraw/zinc/91/43/36/1023914336.db2.gz MNHXXMGBMMTWLZ-PMOQBDJRSA-N 1 0 375.516 3.961 20 30 GHEDRO Cc1ccc([C@H](c2nc(-c3ccc(C#N)c(C)c3)no2)N2CCC[NH2+]CC2)cc1 ZINC001204975647 1033190533 /nfs/dbraw/zinc/19/05/33/1033190533.db2.gz JRWLQZMQFMJFGN-OAQYLSRUSA-N 1 0 387.487 3.610 20 30 GHEDRO CC(C)(C)[N@@H+]1CCN[C@H](c2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)C1 ZINC001205024971 1033218704 /nfs/dbraw/zinc/21/87/04/1033218704.db2.gz FYGBHGCTEBZDMH-AWEZNQCLSA-N 1 0 380.279 3.660 20 30 GHEDRO C#CC1CCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1 ZINC000831417585 1024553288 /nfs/dbraw/zinc/55/32/88/1024553288.db2.gz WFHFIGWFTBCLIN-UHFFFAOYSA-N 1 0 396.535 3.768 20 30 GHEDRO COc1cc2cccnc2c(N(c2cc(OC)c(C#N)cn2)[C@H](C)CCC[NH3+])c1 ZINC001156749469 1033220700 /nfs/dbraw/zinc/22/07/00/1033220700.db2.gz ATFQKYCICPBTRX-OAHLLOKOSA-N 1 0 391.475 3.784 20 30 GHEDRO COc1cc(C#N)nc(N(c2cc(OC)cc3cccnc32)[C@H](C)CCC[NH3+])c1 ZINC001156750669 1033221996 /nfs/dbraw/zinc/22/19/96/1033221996.db2.gz PZRZJXGHECUFLN-OAHLLOKOSA-N 1 0 391.475 3.784 20 30 GHEDRO N#C[C@]1(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCc2ccccc2C1 ZINC001138309665 1024614939 /nfs/dbraw/zinc/61/49/39/1024614939.db2.gz UWZNIYLFJJMEFC-ZCYQVOJMSA-N 1 0 387.527 3.509 20 30 GHEDRO C#CCOc1ccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1OC ZINC001138348188 1024710190 /nfs/dbraw/zinc/71/01/90/1024710190.db2.gz GZSMLUJGNDFGST-UHFFFAOYSA-N 1 0 390.527 3.730 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccc(C)n4)CC[C@@H]32)c1O ZINC001138626877 1025125451 /nfs/dbraw/zinc/12/54/51/1025125451.db2.gz RKYQSZKGIDCOKD-WMTXJRDZSA-N 1 0 394.515 3.773 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)c1O ZINC001138626986 1025126016 /nfs/dbraw/zinc/12/60/16/1025126016.db2.gz VEJGRYYHHZAIPQ-XMMPIXPASA-N 1 0 392.499 3.758 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1O ZINC001138627474 1025126777 /nfs/dbraw/zinc/12/67/77/1025126777.db2.gz IYQZXJMDOYUGGR-IOMROCGXSA-N 1 0 380.488 3.574 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030551 1025153213 /nfs/dbraw/zinc/15/32/13/1025153213.db2.gz NQGUXISAFJHGGK-XLIONFOSSA-N 1 0 399.535 3.873 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CC12CCOCC2 ZINC000832030518 1025153751 /nfs/dbraw/zinc/15/37/51/1025153751.db2.gz MLCDMJMYMBRLSO-GOSISDBHSA-N 1 0 393.572 3.960 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc(SCC)nc1)CC2 ZINC001138650432 1025164268 /nfs/dbraw/zinc/16/42/68/1025164268.db2.gz VMQLTAHWFMPWCH-UHFFFAOYSA-N 1 0 390.553 3.589 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)c1 ZINC001138653169 1025167252 /nfs/dbraw/zinc/16/72/52/1025167252.db2.gz URPAEUWTNKVUHA-JOCHJYFZSA-N 1 0 376.435 3.926 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000838684301 1025291713 /nfs/dbraw/zinc/29/17/13/1025291713.db2.gz XLEMJXDNVZXXCH-GOSISDBHSA-N 1 0 397.350 3.605 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000832259831 1025382080 /nfs/dbraw/zinc/38/20/80/1025382080.db2.gz WNWZGQHWKCRODV-QHAWAJNXSA-N 1 0 399.535 3.561 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)n3ccc(C[NH3+])cc3=N)cc2c1Cl ZINC001156855771 1033281429 /nfs/dbraw/zinc/28/14/29/1033281429.db2.gz FRWAEFWMINMFCA-UHFFFAOYSA-N 1 0 394.212 3.751 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000838958417 1025474818 /nfs/dbraw/zinc/47/48/18/1025474818.db2.gz LXQUEAOIDIMUDU-WIYYLYMNSA-N 1 0 379.504 3.882 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(NCC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)n1 ZINC001161992742 1025526586 /nfs/dbraw/zinc/52/65/86/1025526586.db2.gz VVXTVSSECKHZNR-UHFFFAOYSA-N 1 0 385.855 3.539 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNc1ncnc2c1cnn2-c1ccccc1)C(C)C ZINC001162094700 1025601492 /nfs/dbraw/zinc/60/14/92/1025601492.db2.gz FJFVAIJYIYEUOA-FQEVSTJZSA-N 1 0 376.508 3.926 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839156701 1025659481 /nfs/dbraw/zinc/65/94/81/1025659481.db2.gz ZHBKPTFTNVEIGP-QFIPXVFZSA-N 1 0 399.441 3.611 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162197614 1025664690 /nfs/dbraw/zinc/66/46/90/1025664690.db2.gz QVOQUGOTECDDOF-MEMLXQNLSA-N 1 0 378.596 3.982 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC001162231949 1025682091 /nfs/dbraw/zinc/68/20/91/1025682091.db2.gz WEZFKUWMAOIFGD-UHFFFAOYSA-N 1 0 390.516 3.642 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OCC)c(OCC)c1)CC2 ZINC001138970050 1025684856 /nfs/dbraw/zinc/68/48/56/1025684856.db2.gz DWGIUSURBYIYDL-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO CCOc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)ccc1OC(C)=O ZINC001139008989 1025757586 /nfs/dbraw/zinc/75/75/86/1025757586.db2.gz MFKSXFYRDZJZMA-HXUWFJFHSA-N 1 0 394.471 3.926 20 30 GHEDRO COc1cccc2c1CC[C@@H](CCCNc1ncc3c(c1C#N)CCC[NH2+]C3)C2 ZINC001162556135 1025791778 /nfs/dbraw/zinc/79/17/78/1025791778.db2.gz YRIXAQGKMUKXMB-QGZVFWFLSA-N 1 0 390.531 3.995 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001139028278 1025794888 /nfs/dbraw/zinc/79/48/88/1025794888.db2.gz RGYICNAAPBFJTD-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO N#Cc1c(NCCc2ccc(Oc3ccccc3)nc2)ncc2c1CCC[NH2+]C2 ZINC001162581286 1025807005 /nfs/dbraw/zinc/80/70/05/1025807005.db2.gz MFOPTJYVZDJZRH-UHFFFAOYSA-N 1 0 385.471 3.831 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC001139079739 1025893340 /nfs/dbraw/zinc/89/33/40/1025893340.db2.gz ZDQUHSBTXYTVRZ-HSZRJFAPSA-N 1 0 392.503 3.802 20 30 GHEDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc(Cl)cc1C#C[Si](C)(C)C ZINC001162729519 1025896155 /nfs/dbraw/zinc/89/61/55/1025896155.db2.gz GEUJHMIWCYFVMC-KRWDZBQOSA-N 1 0 396.007 3.507 20 30 GHEDRO N#CC1(CC[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CCCCC1 ZINC000839459277 1025946904 /nfs/dbraw/zinc/94/69/04/1025946904.db2.gz ISWDMNOLWMMZKU-UHFFFAOYSA-N 1 0 383.492 3.930 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1F ZINC001162943545 1025979879 /nfs/dbraw/zinc/97/98/79/1025979879.db2.gz PWQQACAKPVNMJA-UHFFFAOYSA-N 1 0 398.438 3.735 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(F)c2c1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163056108 1026028727 /nfs/dbraw/zinc/02/87/27/1026028727.db2.gz AUIZDSKQLJQRTF-ZDUSSCGKSA-N 1 0 383.858 3.922 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001163058748 1026029612 /nfs/dbraw/zinc/02/96/12/1026029612.db2.gz QYAOXVRRIUIFMN-NSHDSACASA-N 1 0 388.805 3.816 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1[nH]ccc2ncc(C#N)c1-2)c1ccc(Cl)cc1 ZINC001163384244 1026169291 /nfs/dbraw/zinc/16/92/91/1026169291.db2.gz AGTRYRPWQSQCNR-SFHVURJKSA-N 1 0 383.883 3.819 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC001163473056 1026207004 /nfs/dbraw/zinc/20/70/04/1026207004.db2.gz JXRGELBNXPODBJ-UHFFFAOYSA-N 1 0 390.447 3.849 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1cc(C)nc(-c2ccc(Cl)nc2)n1 ZINC001163473808 1026207369 /nfs/dbraw/zinc/20/73/69/1026207369.db2.gz WSIABIGOLFHSJI-UHFFFAOYSA-N 1 0 380.883 3.990 20 30 GHEDRO C=CCn1cnc2nc(Nc3ccc([C@H]4CCCC[N@H+]4CCC)cn3)[nH]c(=O)c21 ZINC001163498677 1026215554 /nfs/dbraw/zinc/21/55/54/1026215554.db2.gz XTDRLZOJMYWLBV-MRXNPFEDSA-N 1 0 393.495 3.794 20 30 GHEDRO N#Cc1ccnc(-c2ccc(CN3CC4(C3)CC[N@H+](Cc3cccnc3)C4)cc2)c1 ZINC001139403839 1026275702 /nfs/dbraw/zinc/27/57/02/1026275702.db2.gz IFTCRKLTESIQLM-UHFFFAOYSA-N 1 0 395.510 3.723 20 30 GHEDRO N#Cc1ccnc(-c2ccc(CN3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC001139405654 1026277767 /nfs/dbraw/zinc/27/77/67/1026277767.db2.gz XQRXSALMJAERQH-UHFFFAOYSA-N 1 0 388.496 3.640 20 30 GHEDRO CCOC(=O)c1nc2cc(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)ccc2[nH]1 ZINC001163685129 1026282654 /nfs/dbraw/zinc/28/26/54/1026282654.db2.gz KCJKVTTUYRNIHE-UHFFFAOYSA-N 1 0 376.338 3.795 20 30 GHEDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427594 1026298134 /nfs/dbraw/zinc/29/81/34/1026298134.db2.gz LVKRUQCXUQZGLM-IBGZPJMESA-N 1 0 379.460 3.911 20 30 GHEDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139527349 1026384419 /nfs/dbraw/zinc/38/44/19/1026384419.db2.gz CHIYNWZQKNTFDP-HXUWFJFHSA-N 1 0 377.463 3.678 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1F ZINC001139528907 1026388596 /nfs/dbraw/zinc/38/85/96/1026388596.db2.gz XOWVPEDPAYRGPN-UHFFFAOYSA-N 1 0 377.463 3.855 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139531382 1026389218 /nfs/dbraw/zinc/38/92/18/1026389218.db2.gz ZBCFWBRJRFPABM-GOSISDBHSA-N 1 0 391.487 3.545 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)c1 ZINC001139647308 1026507967 /nfs/dbraw/zinc/50/79/67/1026507967.db2.gz GYUKBPSBVVCEPZ-NRFANRHFSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001164435617 1026512742 /nfs/dbraw/zinc/51/27/42/1026512742.db2.gz KSYVVRDBIBLLFX-UHFFFAOYSA-N 1 0 377.879 3.652 20 30 GHEDRO C[C@@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164477352 1026522255 /nfs/dbraw/zinc/52/22/55/1026522255.db2.gz DIISMYLOTGKUNV-OCCSQVGLSA-N 1 0 391.853 3.777 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)[C@H]1c1ccccc1 ZINC001139702476 1026547499 /nfs/dbraw/zinc/54/74/99/1026547499.db2.gz BTPLGFSYGCMJSC-JOCHJYFZSA-N 1 0 384.483 3.835 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@H]21 ZINC001139702356 1026547617 /nfs/dbraw/zinc/54/76/17/1026547617.db2.gz BEWVBVMQMMSMGR-DNVCBOLYSA-N 1 0 380.492 3.871 20 30 GHEDRO Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001139713330 1026558121 /nfs/dbraw/zinc/55/81/21/1026558121.db2.gz DIZRGPLHQQKXCV-QHCPKHFHSA-N 1 0 375.472 3.510 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C)c(C#N)c3)O2)cs1 ZINC001139725338 1026569011 /nfs/dbraw/zinc/56/90/11/1026569011.db2.gz LUYSWALXHHTJJO-BHDDXSALSA-N 1 0 397.544 3.970 20 30 GHEDRO N#Cc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165081327 1026592193 /nfs/dbraw/zinc/59/21/93/1026592193.db2.gz IRCVCJROKFOLNA-VGOFRKELSA-N 1 0 399.454 3.725 20 30 GHEDRO N#C[C@H](c1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nn1)c1ccccc1F ZINC001165323567 1026704451 /nfs/dbraw/zinc/70/44/51/1026704451.db2.gz LTEGSJIUANLATH-GHTZIAJQSA-N 1 0 379.483 3.630 20 30 GHEDRO O/N=C/c1cc(NCc2ccc(CN3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC001165398505 1026718715 /nfs/dbraw/zinc/71/87/15/1026718715.db2.gz PENBXZSGIXYHJT-DHRITJCHSA-N 1 0 393.409 3.958 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001165421673 1026723573 /nfs/dbraw/zinc/72/35/73/1026723573.db2.gz MXXYAXGLWASUPU-GGAORHGYSA-N 1 0 375.592 3.894 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001165431632 1026726272 /nfs/dbraw/zinc/72/62/72/1026726272.db2.gz CSSXBGVOUYESAP-JQWIXIFHSA-N 1 0 379.266 3.926 20 30 GHEDRO N#Cc1cc(Cl)cc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165476740 1026738413 /nfs/dbraw/zinc/73/84/13/1026738413.db2.gz NTBVOFIUIPYFHF-ICSRJNTNSA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1cc2c(nc1N(c1cccc(F)c1)[C@H]1CO[C@]3(C1)CCC[NH2+]C3)CCC2 ZINC001165479336 1026741897 /nfs/dbraw/zinc/74/18/97/1026741897.db2.gz JWJPUUSFSQRHAS-OFNKIYASSA-N 1 0 392.478 3.630 20 30 GHEDRO CC(C)N(c1nc(-c2cccs2)ccc1C#N)c1ncnc2c1CC[NH2+]CC2 ZINC001165514023 1026751890 /nfs/dbraw/zinc/75/18/90/1026751890.db2.gz GGFKORNSFCMMBX-UHFFFAOYSA-N 1 0 390.516 3.706 20 30 GHEDRO CC#CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1 ZINC001203000965 1026868416 /nfs/dbraw/zinc/86/84/16/1026868416.db2.gz YPUIANOKOMWXFV-OAHLLOKOSA-N 1 0 384.314 3.501 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)c2c1 ZINC001140113758 1026894997 /nfs/dbraw/zinc/89/49/97/1026894997.db2.gz KELWRNJBHDAZPZ-NFBKMPQASA-N 1 0 379.504 3.695 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(C3)c3ccccc3N(CC3CC3)C4=O)c2c1 ZINC001140114432 1026896849 /nfs/dbraw/zinc/89/68/49/1026896849.db2.gz PKJIETRCSVRNAC-VWLOTQADSA-N 1 0 396.494 3.940 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140140022 1026913723 /nfs/dbraw/zinc/91/37/23/1026913723.db2.gz RRECGZWHMDIBQL-GOSISDBHSA-N 1 0 391.487 3.545 20 30 GHEDRO N#CCc1ccnc(N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)c1 ZINC001166129060 1026925455 /nfs/dbraw/zinc/92/54/55/1026925455.db2.gz KJJNKDHZRRFHGP-UHFFFAOYSA-N 1 0 381.483 3.983 20 30 GHEDRO N#Cc1cc2c(nc1N1CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C1)CCOC2 ZINC001166497122 1027016078 /nfs/dbraw/zinc/01/60/78/1027016078.db2.gz APAZKVAXPGWMSG-UHFFFAOYSA-N 1 0 397.438 3.537 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1-n1cc2c(cccc2N2CC[NH2+]CC2)n1 ZINC001166994487 1027185268 /nfs/dbraw/zinc/18/52/68/1027185268.db2.gz QNSMASAOQZTCBW-UHFFFAOYSA-N 1 0 388.862 3.508 20 30 GHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001167023790 1027203149 /nfs/dbraw/zinc/20/31/49/1027203149.db2.gz KUFCPCNYXBQFPH-HXUWFJFHSA-N 1 0 399.535 3.939 20 30 GHEDRO C[NH+]1CCN(CCNc2ccc(Nc3ccc(C#N)c4ccccc34)cn2)CC1 ZINC001209816380 1027213150 /nfs/dbraw/zinc/21/31/50/1027213150.db2.gz PYJPCYOWIGBROS-UHFFFAOYSA-N 1 0 386.503 3.509 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1Cl ZINC001203415038 1027321399 /nfs/dbraw/zinc/32/13/99/1027321399.db2.gz OSKQGKHJNUNJGL-SAABIXHNSA-N 1 0 391.920 3.999 20 30 GHEDRO Cc1cc(Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cnc1C#N ZINC001210209556 1027385680 /nfs/dbraw/zinc/38/56/80/1027385680.db2.gz UXZJPMMTEKWUDY-UHFFFAOYSA-N 1 0 389.425 3.772 20 30 GHEDRO C=CC(C)(C)CCC[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203572964 1027441319 /nfs/dbraw/zinc/44/13/19/1027441319.db2.gz SQSPYTWXADENQQ-QGZVFWFLSA-N 1 0 391.560 3.932 20 30 GHEDRO Cc1cc(C#N)ccc1Nc1cc2cccc3c2c(c1)C(=O)N(CC[NH+](C)C)C3=O ZINC001210376621 1027478185 /nfs/dbraw/zinc/47/81/85/1027478185.db2.gz CPUDXBCGAOZWQI-UHFFFAOYSA-N 1 0 398.466 3.921 20 30 GHEDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cccc(C#N)c4)C3)C2)cc1 ZINC001203757489 1027580275 /nfs/dbraw/zinc/58/02/75/1027580275.db2.gz LPPJQALGEYBHSW-XMMPIXPASA-N 1 0 391.515 3.686 20 30 GHEDRO COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001203758415 1027581283 /nfs/dbraw/zinc/58/12/83/1027581283.db2.gz XTKHHQDWYLZTEC-UHFFFAOYSA-N 1 0 387.439 3.601 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2cccc(C#N)c2)CC3)cs1 ZINC001203760082 1027582079 /nfs/dbraw/zinc/58/20/79/1027582079.db2.gz BMJOMSOKUDPKGN-FQEVSTJZSA-N 1 0 383.517 3.664 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccc(C)cc21 ZINC001203761894 1027583902 /nfs/dbraw/zinc/58/39/02/1027583902.db2.gz GMEWHDUUAJSMRL-JOCHJYFZSA-N 1 0 388.515 3.774 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC001203901901 1027694781 /nfs/dbraw/zinc/69/47/81/1027694781.db2.gz UCEYOCGYVJPDDU-QHCPKHFHSA-N 1 0 377.463 3.712 20 30 GHEDRO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4ccc(C#N)cc4)C[C@H]2C3)c1 ZINC001203903762 1027696668 /nfs/dbraw/zinc/69/66/68/1027696668.db2.gz ZBFKHCCUUJUKAC-CTNGQTDRSA-N 1 0 384.483 3.739 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203905563 1027698282 /nfs/dbraw/zinc/69/82/82/1027698282.db2.gz SHAKEQAELZCRDZ-FQEVSTJZSA-N 1 0 387.524 3.796 20 30 GHEDRO CSc1nc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)ccc1C#N ZINC001141937217 1027706658 /nfs/dbraw/zinc/70/66/58/1027706658.db2.gz QVJXFJFRQJHEGL-KNQAVFIVSA-N 1 0 394.544 3.889 20 30 GHEDRO CSc1nc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC001141943636 1027721765 /nfs/dbraw/zinc/72/17/65/1027721765.db2.gz DBRYLZZBFJSHMX-WOJBJXKFSA-N 1 0 378.545 3.629 20 30 GHEDRO COC(=O)c1ccc(CC2CC[NH+](Cc3ccc(C#N)c(SC)n3)CC2)cc1 ZINC001141947892 1027730024 /nfs/dbraw/zinc/73/00/24/1027730024.db2.gz FZZLWKSLIFKOCB-UHFFFAOYSA-N 1 0 395.528 3.916 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C[C@@H]2C)C1=O ZINC001141976046 1027789939 /nfs/dbraw/zinc/78/99/39/1027789939.db2.gz TXUHUQNTBNGQPA-MBSDFSHPSA-N 1 0 378.541 3.838 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(F)c(OCC)c(Cl)c3)CC2)C1=O ZINC001276438900 1027853088 /nfs/dbraw/zinc/85/30/88/1027853088.db2.gz NUZLHJREGPAUGA-UHFFFAOYSA-N 1 0 380.891 3.878 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1ccsc1 ZINC001211286610 1027891395 /nfs/dbraw/zinc/89/13/95/1027891395.db2.gz PZERALCBMFVEAO-FQEVSTJZSA-N 1 0 382.533 3.812 20 30 GHEDRO C#C[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1F ZINC001211319642 1027907835 /nfs/dbraw/zinc/90/78/35/1027907835.db2.gz DKYSNMAROPFVIA-OAQYLSRUSA-N 1 0 399.897 3.901 20 30 GHEDRO Cc1cc(-c2noc([C@H](c3cccc(Cl)c3)N3CC[NH2+]CC3)n2)ccc1C#N ZINC001211377555 1027930461 /nfs/dbraw/zinc/93/04/61/1027930461.db2.gz KPCCDVNONQWJEB-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000840972278 1028008295 /nfs/dbraw/zinc/00/82/95/1028008295.db2.gz JFXOOHIQQKPECS-GCJKJVERSA-N 1 0 380.488 3.597 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001142408731 1028831703 /nfs/dbraw/zinc/83/17/03/1028831703.db2.gz XFMIZJWFHYDJJB-OAHLLOKOSA-N 1 0 392.297 3.807 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)c2)s1 ZINC000841831561 1028971957 /nfs/dbraw/zinc/97/19/57/1028971957.db2.gz WHOMLDIWDCHENW-HXUWFJFHSA-N 1 0 394.544 3.960 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(Br)nc1)C(C)C ZINC001215707730 1029359458 /nfs/dbraw/zinc/35/94/58/1029359458.db2.gz ZXQHXAQKWUVYCW-HNNXBMFYSA-N 1 0 381.318 3.664 20 30 GHEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC001461526143 1069592001 /nfs/dbraw/zinc/59/20/01/1069592001.db2.gz GELMTWMYEMLDRC-INIZCTEOSA-N 1 0 377.271 3.720 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(C#N)c(C)c3)cc2)CC1 ZINC000842636888 1029444462 /nfs/dbraw/zinc/44/44/62/1029444462.db2.gz MVVCMUPRUHHINX-UHFFFAOYSA-N 1 0 394.544 3.739 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(OC(F)(F)F)ccc3N)cc2C#N)CC1 ZINC001216015848 1029494393 /nfs/dbraw/zinc/49/43/93/1029494393.db2.gz LDPJKABQSQLUFP-UHFFFAOYSA-N 1 0 391.397 3.534 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3ccccc3CN3CC[NH2+]CC3)n2)c(F)c1 ZINC001216471401 1029653546 /nfs/dbraw/zinc/65/35/46/1029653546.db2.gz XBDDLOJKPHWDHU-UHFFFAOYSA-N 1 0 394.450 3.513 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001142916277 1029688657 /nfs/dbraw/zinc/68/86/57/1029688657.db2.gz RBVMFRAXQKDJCA-JOCHJYFZSA-N 1 0 380.492 3.872 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CCN(C(=O)c5ccco5)C4)CC3)c[nH]c2c1 ZINC001142916953 1029689283 /nfs/dbraw/zinc/68/92/83/1029689283.db2.gz MEHVXSJBXUGXHS-UHFFFAOYSA-N 1 0 388.471 3.761 20 30 GHEDRO CN1Cc2ccccc2CC2(CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)C1=O ZINC001142928603 1029709298 /nfs/dbraw/zinc/70/92/98/1029709298.db2.gz DPVKQIXRUHQAAW-UHFFFAOYSA-N 1 0 398.510 3.836 20 30 GHEDRO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)cc1 ZINC001142931561 1029712357 /nfs/dbraw/zinc/71/23/57/1029712357.db2.gz RSZZCRZMXFLLMI-UHFFFAOYSA-N 1 0 393.512 3.823 20 30 GHEDRO Cc1cc(Nc2ccc(OC3CCOCC3)c(C#N)c2)n(-c2cc[nH+]cc2)n1 ZINC001216665486 1029722848 /nfs/dbraw/zinc/72/28/48/1029722848.db2.gz WVMGQEJLJSVRSK-UHFFFAOYSA-N 1 0 375.432 3.749 20 30 GHEDRO C[NH+]1CCN(c2ccccc2Nc2ccc(OC3CCOCC3)c(C#N)c2)CC1 ZINC001216667660 1029723328 /nfs/dbraw/zinc/72/33/28/1029723328.db2.gz KJVSMUGMUBCNGV-UHFFFAOYSA-N 1 0 392.503 3.611 20 30 GHEDRO CCN(CC)c1ccc(C=[NH+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c(O)c1 ZINC000843265639 1029875174 /nfs/dbraw/zinc/87/51/74/1029875174.db2.gz HNFBIUCQRHUALJ-PHQOBFFQSA-N 1 0 380.492 3.948 20 30 GHEDRO CN1Cc2ccccc2CC2(CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)C1=O ZINC001143169594 1029880134 /nfs/dbraw/zinc/88/01/34/1029880134.db2.gz LFBGSJJHTVGEEL-UHFFFAOYSA-N 1 0 395.453 3.633 20 30 GHEDRO Cc1cc(C)cc(-c2noc(-c3cccc(NC(=O)[C@@H]4C[C@H](S)C[NH2+]4)c3)n2)c1 ZINC001216718158 1029904241 /nfs/dbraw/zinc/90/42/41/1029904241.db2.gz LZGTWYBXHBIURR-ROUUACIJSA-N 1 0 394.500 3.619 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4cccc(C(C)(C)C#N)c4)n3)c2)CC1 ZINC001216843724 1029959274 /nfs/dbraw/zinc/95/92/74/1029959274.db2.gz RSCAHYJXTCREPI-UHFFFAOYSA-N 1 0 387.487 3.957 20 30 GHEDRO C#C[C@@H](NC(=O)NCC[NH+](C(C)C)C(C)C)c1ccc(Br)cc1 ZINC001222126923 1029971776 /nfs/dbraw/zinc/97/17/76/1029971776.db2.gz HPZZRJDAGISJFY-QGZVFWFLSA-N 1 0 380.330 3.541 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000843424138 1029996920 /nfs/dbraw/zinc/99/69/20/1029996920.db2.gz OZFNOFNKBTWETK-CYBMUJFWSA-N 1 0 386.370 3.780 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(-c2cnn(CC[NH+]3CCCC3)c2)c1C#N ZINC001222460569 1030147110 /nfs/dbraw/zinc/14/71/10/1030147110.db2.gz AMEYIJDWPYYTHI-UHFFFAOYSA-N 1 0 390.516 3.696 20 30 GHEDRO Cc1cc(-c2noc(-c3ccc(CN(C)CCC[NH+](C)C)cc3)n2)ccc1C#N ZINC001217116273 1030177737 /nfs/dbraw/zinc/17/77/37/1030177737.db2.gz KFTYVFZGYPQBNO-UHFFFAOYSA-N 1 0 389.503 3.967 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC001461628707 1069647798 /nfs/dbraw/zinc/64/77/98/1069647798.db2.gz GRTUXKJVXDQRMX-QXHGNLAOSA-N 1 0 384.520 3.796 20 30 GHEDRO C=C(C)CN(CC)C(=O)c1ccc2ccc(N3CC[NH+](CC4CC4)CC3)n2c1 ZINC001150287496 1030478223 /nfs/dbraw/zinc/47/82/23/1030478223.db2.gz VMIOPESGVVTNIB-UHFFFAOYSA-N 1 0 380.536 3.510 20 30 GHEDRO CN(CC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)CC(F)F ZINC001461673134 1069670092 /nfs/dbraw/zinc/67/00/92/1069670092.db2.gz ZVZNONLWBKCNMD-CYBMUJFWSA-N 1 0 394.306 3.845 20 30 GHEDRO COc1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001217983137 1030704336 /nfs/dbraw/zinc/70/43/36/1030704336.db2.gz VLNBJTAAGODNLU-AKXXSGFCSA-N 1 0 385.435 3.766 20 30 GHEDRO C[C@@H](Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21)C1CC[NH2+]CC1 ZINC001218009748 1030721426 /nfs/dbraw/zinc/72/14/26/1030721426.db2.gz NROBVRKOMCRQIH-OAHLLOKOSA-N 1 0 390.462 3.998 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[NH2+]CC[C@H]2F)c1 ZINC001218020654 1030727579 /nfs/dbraw/zinc/72/75/79/1030727579.db2.gz CGCSEZJLDIAOMG-UXHICEINSA-N 1 0 397.446 3.868 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001218052587 1030743727 /nfs/dbraw/zinc/74/37/27/1030743727.db2.gz LGPFPOMLLVQGLW-LPHOPBHVSA-N 1 0 379.456 3.918 20 30 GHEDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3Cc4ccc(C#N)cc4C3)o2)c([N+](=O)[O-])c1 ZINC001461701728 1069688542 /nfs/dbraw/zinc/68/85/42/1069688542.db2.gz ACYILMLAHKBNAH-QGZVFWFLSA-N 1 0 389.411 3.992 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2CC[NH2+]C[C@H]2F)c(O)c1 ZINC001218066035 1030752701 /nfs/dbraw/zinc/75/27/01/1030752701.db2.gz IZHPJPHDUDERBO-CRAIPNDOSA-N 1 0 383.460 3.694 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218095791 1030768752 /nfs/dbraw/zinc/76/87/52/1030768752.db2.gz PAIBRJCOGGFKDR-YUPBACJMSA-N 1 0 379.456 3.905 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[C@@]34CC[NH2+]C4)c(C#N)c2)nc1C ZINC001218117905 1030781437 /nfs/dbraw/zinc/78/14/37/1030781437.db2.gz NCQWGWUJZNMQHE-UTKZUKDTSA-N 1 0 397.500 3.688 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[C@]34CC[NH2+]C4)c(C#N)c2)nc1C ZINC001218117902 1030781553 /nfs/dbraw/zinc/78/15/53/1030781553.db2.gz NCQWGWUJZNMQHE-LAUBAEHRSA-N 1 0 397.500 3.688 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c1C(=O)/C=C/c1ccccc1 ZINC001218120537 1030783440 /nfs/dbraw/zinc/78/34/40/1030783440.db2.gz UFWCRBVGVHAHKJ-ZCBMTBAISA-N 1 0 379.456 3.818 20 30 GHEDRO CCOC(=O)c1c2cc(O[C@H]3C[NH2+]C[C@@H]3C#N)ccc2oc1-c1ccccc1 ZINC001218200874 1030821866 /nfs/dbraw/zinc/82/18/66/1030821866.db2.gz NZTVYBZHKJPLQE-KXBFYZLASA-N 1 0 376.412 3.767 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)nc2c(Br)cccc12 ZINC001218199367 1030824148 /nfs/dbraw/zinc/82/41/48/1030824148.db2.gz FBSNLZVJODYBDJ-PRHODGIISA-N 1 0 386.171 3.506 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc2cc(Br)ccc2c1Br ZINC001218202022 1030824625 /nfs/dbraw/zinc/82/46/25/1030824625.db2.gz WVWCYNGVRKGXQM-YGRLFVJLSA-N 1 0 396.082 3.855 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)nc2ccc(Br)cc21 ZINC001218201244 1030825922 /nfs/dbraw/zinc/82/59/22/1030825922.db2.gz PSLWLDIBYUXVRD-SDBXPKJASA-N 1 0 386.171 3.506 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(C(F)(F)F)cc1I ZINC001218206791 1030828725 /nfs/dbraw/zinc/82/87/25/1030828725.db2.gz NYMNYZBIZBKAQF-GFCCVEGCSA-N 1 0 383.151 3.607 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001218208426 1030830144 /nfs/dbraw/zinc/83/01/44/1030830144.db2.gz MYYFZEHICNSMMD-BXFBLQMOSA-N 1 0 377.488 3.617 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(OC)c(OC)cc(O)c1C(=O)/C=C/c1ccccc1 ZINC001218209368 1030830226 /nfs/dbraw/zinc/83/02/26/1030830226.db2.gz XKQZFGQEIOUQPE-XTXLJPNXSA-N 1 0 395.455 3.602 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CCC4(C[NH2+]C4)C3)c(C#N)c2)nc1C ZINC001218240384 1030845572 /nfs/dbraw/zinc/84/55/72/1030845572.db2.gz ZWMNQUVOKQDRQX-MRXNPFEDSA-N 1 0 397.500 3.688 20 30 GHEDRO COc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218252834 1030855282 /nfs/dbraw/zinc/85/52/82/1030855282.db2.gz VCYFHPZFXKITJJ-XNEXPEBFSA-N 1 0 379.456 3.816 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[C@@H](C)[NH2+]C2)c1OC ZINC001218403648 1030923050 /nfs/dbraw/zinc/92/30/50/1030923050.db2.gz YBFFRTXIYURJHP-LQIMAGMGSA-N 1 0 397.471 3.825 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3CC[C@@H](C)[NH2+]C3)cc2)cc1 ZINC001218407252 1030925531 /nfs/dbraw/zinc/92/55/31/1030925531.db2.gz OUDBKWXLMKEXCM-APWZRJJASA-N 1 0 387.501 3.604 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2CC[NH2+]C[C@H]2C)c(O)c1 ZINC001218419446 1030931392 /nfs/dbraw/zinc/93/13/92/1030931392.db2.gz MZXZKZJRZCNHKK-DNVCBOLYSA-N 1 0 379.497 3.992 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)c(C#N)c2)nc1C ZINC001218461412 1030946634 /nfs/dbraw/zinc/94/66/34/1030946634.db2.gz RQAALHCKLAZUPN-QGPMSJSTSA-N 1 0 397.500 3.544 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001218478706 1030953402 /nfs/dbraw/zinc/95/34/02/1030953402.db2.gz ZJMGJEFIWFLUBA-LDQXTDLNSA-N 1 0 377.440 3.671 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001218478588 1030953456 /nfs/dbraw/zinc/95/34/56/1030953456.db2.gz AWRFYQUIDOEIPN-WLMBQCLYSA-N 1 0 395.455 3.577 20 30 GHEDRO Cc1cc(O[C@H]2C[NH2+]CC[C@H]2C)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218480909 1030954222 /nfs/dbraw/zinc/95/42/22/1030954222.db2.gz IYJRKANZLZTTAT-PWQMOEEASA-N 1 0 381.472 3.988 20 30 GHEDRO Cc1cc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218490737 1030958714 /nfs/dbraw/zinc/95/87/14/1030958714.db2.gz YRQOWBRCUACUCL-QDUDHFMZSA-N 1 0 379.456 3.740 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)c2ccccc2)CC1 ZINC001224307297 1030963158 /nfs/dbraw/zinc/96/31/58/1030963158.db2.gz QTQHFFUUZAAVBF-JOCHJYFZSA-N 1 0 394.494 3.970 20 30 GHEDRO N#Cc1c(NC(=O)[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)sc2c1CCC2 ZINC001218548062 1030983064 /nfs/dbraw/zinc/98/30/64/1030983064.db2.gz MRPNXPBFMXPEKY-CQSZACIVSA-N 1 0 379.407 3.636 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C[NH2+]3)n2)s1 ZINC001218787954 1031078866 /nfs/dbraw/zinc/07/88/66/1031078866.db2.gz OVCZUMIZBVWUSV-SCZZXKLOSA-N 1 0 386.424 3.612 20 30 GHEDRO Cc1nc2ccc(C(=O)N(Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)cc2o1 ZINC001152122244 1031109860 /nfs/dbraw/zinc/10/98/60/1031109860.db2.gz KNXRLUPTZVUZPO-MXVIHJGJSA-N 1 0 388.471 3.920 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccnc(Br)c1C)C(C)C ZINC001218909785 1031148022 /nfs/dbraw/zinc/14/80/22/1031148022.db2.gz XWLIFNMUHXYNNI-INIZCTEOSA-N 1 0 395.345 3.973 20 30 GHEDRO CNc1ccc(C#N)cc1NC(=O)C[C@@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC001218981459 1031193559 /nfs/dbraw/zinc/19/35/59/1031193559.db2.gz SOZKHPLKDZYNPT-MRXNPFEDSA-N 1 0 392.478 3.876 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1cc(C#N)ccc1F ZINC001219049793 1031232043 /nfs/dbraw/zinc/23/20/43/1031232043.db2.gz GOXPSGMYLFNUHV-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)c1 ZINC001219494889 1031459117 /nfs/dbraw/zinc/45/91/17/1031459117.db2.gz DWADRZTWODBENJ-QFIPXVFZSA-N 1 0 397.478 3.915 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC001153318881 1031534478 /nfs/dbraw/zinc/53/44/78/1031534478.db2.gz LUKJRXYTCZGZIO-UHFFFAOYSA-N 1 0 396.535 3.775 20 30 GHEDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC001219663349 1031546729 /nfs/dbraw/zinc/54/67/29/1031546729.db2.gz NAESIBQRYXAQMM-QFBILLFUSA-N 1 0 379.529 3.826 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)ccc1Cl ZINC001277083601 1031695672 /nfs/dbraw/zinc/69/56/72/1031695672.db2.gz LUXIKWQKOYYUMP-QGZVFWFLSA-N 1 0 385.817 3.588 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1C ZINC000191920890 1031699365 /nfs/dbraw/zinc/69/93/65/1031699365.db2.gz GSGZHNUFVSINGS-GGAORHGYSA-N 1 0 377.488 3.670 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)c2ccccc2)CC1 ZINC001220098397 1031784499 /nfs/dbraw/zinc/78/44/99/1031784499.db2.gz RXSZDXWOFMGRAE-DLBZAZTESA-N 1 0 382.430 3.603 20 30 GHEDRO O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1cccc2c1C[NH2+]CC2 ZINC001220181637 1031822686 /nfs/dbraw/zinc/82/26/86/1031822686.db2.gz XFTNCNDOIQZXRA-UHFFFAOYSA-N 1 0 380.447 3.827 20 30 GHEDRO C[C@H](CCNC(=O)c1cccc(CNc2ncccc2C#N)c1)[NH+]1CCCCC1 ZINC001154078436 1031915079 /nfs/dbraw/zinc/91/50/79/1031915079.db2.gz NNCKQSXMCSEHBV-GOSISDBHSA-N 1 0 391.519 3.560 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2C[C@]3(CCOC3)Oc3ccccc32)cc(OC)c1O ZINC001461836275 1069780308 /nfs/dbraw/zinc/78/03/08/1069780308.db2.gz MHCRSPGIMOINSQ-CVDCTZTESA-N 1 0 381.472 3.902 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2ncc(F)c(Oc3cccc(C#N)c3)n2)cn1 ZINC001205225604 1033315998 /nfs/dbraw/zinc/31/59/98/1033315998.db2.gz LQWPJALAQTUNQS-UHFFFAOYSA-N 1 0 393.422 3.672 20 30 GHEDRO COc1ccc(Cn2cc3[nH]c([NH2+][C@H]4CC[C@H](C#N)CC4)ccc-3c2=O)cc1 ZINC001157055768 1033389794 /nfs/dbraw/zinc/38/97/94/1033389794.db2.gz UWGUDIKTQFJQSH-JCNLHEQBSA-N 1 0 376.460 3.740 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3ccc(F)c(C#N)c3)C1)C2 ZINC001205496814 1033441709 /nfs/dbraw/zinc/44/17/09/1033441709.db2.gz TXQCGJDYKFRYHC-AUSIDOKSSA-N 1 0 378.447 3.792 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ncccc1C#C[Si](C)(C)C ZINC001157168938 1033445332 /nfs/dbraw/zinc/44/53/32/1033445332.db2.gz CNPSKFPHIAWSPV-KRWDZBQOSA-N 1 0 375.589 3.562 20 30 GHEDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(O)c3c2C(=O)C(Cl)=C(Cl)C3=O)CC1 ZINC001229379109 1033447368 /nfs/dbraw/zinc/44/73/68/1033447368.db2.gz QQFKRBHFXGSQLO-MGCOHNPYSA-N 1 0 384.259 3.712 20 30 GHEDRO C=CC[C@H]1[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCC1(C)C ZINC001205561459 1033470012 /nfs/dbraw/zinc/47/00/12/1033470012.db2.gz JNALXRJXPKCWFB-GOSISDBHSA-N 1 0 376.453 3.713 20 30 GHEDRO N#Cc1ccnc(N2CCC(Oc3cccc(C[NH+]4CCCCC4)c3)CC2)c1 ZINC001229448245 1033487084 /nfs/dbraw/zinc/48/70/84/1033487084.db2.gz GVJVJQMGKRCWIE-UHFFFAOYSA-N 1 0 376.504 3.987 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229448623 1033487122 /nfs/dbraw/zinc/48/71/22/1033487122.db2.gz MSCWTQQGOVIHEH-UYAOXDASSA-N 1 0 385.508 3.810 20 30 GHEDRO Cc1cc(Cl)nc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c1C#N ZINC001157317816 1033530130 /nfs/dbraw/zinc/53/01/30/1033530130.db2.gz MEAJPMMPRSCXGT-UHFFFAOYSA-N 1 0 378.867 3.748 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157426080 1033579638 /nfs/dbraw/zinc/57/96/38/1033579638.db2.gz NFNOCUZAKYUNAZ-KRWDZBQOSA-N 1 0 398.894 3.542 20 30 GHEDRO N#Cc1ccc(C(F)(F)N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)nc1Cl ZINC001157426701 1033581714 /nfs/dbraw/zinc/58/17/14/1033581714.db2.gz URNBRJVZCUVFTL-INIZCTEOSA-N 1 0 376.838 3.910 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)cc1 ZINC001205917124 1033634421 /nfs/dbraw/zinc/63/44/21/1033634421.db2.gz HZDJIPVUYLMUQB-NJAFHUGGSA-N 1 0 383.410 3.699 20 30 GHEDRO Cc1nc(O[C@H]2CCC[N@@H+](C(C)C)C2)c(C#N)cc1-c1ccc2nccn2c1 ZINC001229769115 1033700362 /nfs/dbraw/zinc/70/03/62/1033700362.db2.gz QVAUGTJOHQYOHD-IBGZPJMESA-N 1 0 375.476 3.828 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC001206144195 1033740474 /nfs/dbraw/zinc/74/04/74/1033740474.db2.gz DOFKRMUSYDIJRW-CQSZACIVSA-N 1 0 391.928 3.946 20 30 GHEDRO COC(=O)c1cc(Cl)c(C)cc1O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001229857696 1033757741 /nfs/dbraw/zinc/75/77/41/1033757741.db2.gz YPMHMFDDSQAFRP-QGZVFWFLSA-N 1 0 384.863 3.960 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC001230109863 1033902071 /nfs/dbraw/zinc/90/20/71/1033902071.db2.gz QASOVLUHBVPIJQ-JOCHJYFZSA-N 1 0 394.494 3.749 20 30 GHEDRO Cc1nc(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)cnc1C#N ZINC001158425518 1034074745 /nfs/dbraw/zinc/07/47/45/1034074745.db2.gz QNGAAGGOPAKVPI-UHFFFAOYSA-N 1 0 395.510 3.958 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(C)cc(Br)c3)C2)C1=O ZINC001276509988 1034109172 /nfs/dbraw/zinc/10/91/72/1034109172.db2.gz HAFCQWOFKMKEKN-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO Cc1cc(Br)cn2c(C[N@H+](C)CCc3cccc(C#N)c3)cnc12 ZINC001207218165 1034187193 /nfs/dbraw/zinc/18/71/93/1034187193.db2.gz HBRWSNVQIPWAHQ-UHFFFAOYSA-N 1 0 383.293 3.951 20 30 GHEDRO CN(Cc1cccc(OC(F)(F)F)c1)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001158599249 1034191345 /nfs/dbraw/zinc/19/13/45/1034191345.db2.gz JYLXLZYIWOVVIR-UHFFFAOYSA-N 1 0 376.382 3.524 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(CC[NH+]3CCN(c4cccc(C#N)c4)CC3)(C1)C2 ZINC001207230767 1034197108 /nfs/dbraw/zinc/19/71/08/1034197108.db2.gz CWVRZFFZWCNRAO-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3CC)C2)C1=O ZINC001277474483 1034309869 /nfs/dbraw/zinc/30/98/69/1034309869.db2.gz PNZSSDWVKWFOES-LJQANCHMSA-N 1 0 377.326 3.622 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1C#N ZINC001231035910 1034353751 /nfs/dbraw/zinc/35/37/51/1034353751.db2.gz XDDDEJIRTGANEE-AJSBUHFISA-N 1 0 390.483 3.563 20 30 GHEDRO COC(=O)c1sc(Br)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159178311 1034467353 /nfs/dbraw/zinc/46/73/53/1034467353.db2.gz UYZIVWKYXZFTDM-UHFFFAOYSA-N 1 0 392.278 3.599 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC(C[N@@H+]3CCC4SC(=O)C=C4C3)C2)CC1 ZINC001207803592 1034583177 /nfs/dbraw/zinc/58/31/77/1034583177.db2.gz BDZOFUDQZQFFQS-KRWDZBQOSA-N 1 0 392.565 3.688 20 30 GHEDRO Cc1ccc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)nc1C#N ZINC001159579052 1034678292 /nfs/dbraw/zinc/67/82/92/1034678292.db2.gz DGYXMWHGAUONTR-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3cc(CC#N)ccn3)c3nccc2-3)cc1 ZINC001159582646 1034679380 /nfs/dbraw/zinc/67/93/80/1034679380.db2.gz KRNOYBBTJAUJGH-OAHLLOKOSA-N 1 0 396.454 3.710 20 30 GHEDRO CCOC(=O)c1cc(C)nc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1C#N ZINC001159653288 1034701924 /nfs/dbraw/zinc/70/19/24/1034701924.db2.gz FZGQQQLXDBUKLX-IBGZPJMESA-N 1 0 392.503 3.557 20 30 GHEDRO N#Cc1cc(Nc2ccc(I)cc2)cc(C2C[NH2+]C2)c1 ZINC001159700963 1034716389 /nfs/dbraw/zinc/71/63/89/1034716389.db2.gz XWBQTLRMEMKXMY-UHFFFAOYSA-N 1 0 375.213 3.593 20 30 GHEDRO COc1cc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc(C(F)(F)F)c1 ZINC001159748862 1034732391 /nfs/dbraw/zinc/73/23/91/1034732391.db2.gz MGNATEIQJITZOO-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCc4c(F)cccc4F)C3)CC2=O)c1 ZINC001208119242 1034747169 /nfs/dbraw/zinc/74/71/69/1034747169.db2.gz XXKJUZUQVYQXBG-JOCHJYFZSA-N 1 0 381.426 3.508 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC001231619210 1034775956 /nfs/dbraw/zinc/77/59/56/1034775956.db2.gz SABZXDJHWFKUMG-NRFANRHFSA-N 1 0 384.520 3.612 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1 ZINC001231622663 1034781585 /nfs/dbraw/zinc/78/15/85/1034781585.db2.gz CMWZMXSSQXGOLP-QHCPKHFHSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOc1cccc(C[N@@H+](CCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001231624748 1034784898 /nfs/dbraw/zinc/78/48/98/1034784898.db2.gz VJRSKYLNZGEIJR-LJQANCHMSA-N 1 0 390.524 3.709 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC001208214391 1034805284 /nfs/dbraw/zinc/80/52/84/1034805284.db2.gz JZIDEXXPVPJGMO-FDDCHVKYSA-N 1 0 384.520 3.627 20 30 GHEDRO CCOC(=O)c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1C ZINC001160100271 1034859455 /nfs/dbraw/zinc/85/94/55/1034859455.db2.gz WUSDLJVUVVLLBR-UHFFFAOYSA-N 1 0 378.476 3.537 20 30 GHEDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001208405797 1034885521 /nfs/dbraw/zinc/88/55/21/1034885521.db2.gz LHQNLVLNIPOZEV-UZLBHIALSA-N 1 0 378.476 3.599 20 30 GHEDRO Cc1ccc2nc(C3CC[NH+](Cc4ccc(N(C)CCC#N)cc4)CC3)nn2c1 ZINC001231819139 1034927383 /nfs/dbraw/zinc/92/73/83/1034927383.db2.gz KIQVWQPBQWQTFE-UHFFFAOYSA-N 1 0 388.519 3.767 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(N(C)C(=O)c3ccccc3)CC2)cc1 ZINC001231821742 1034929253 /nfs/dbraw/zinc/92/92/53/1034929253.db2.gz LBHDFPZENIZXGY-UHFFFAOYSA-N 1 0 390.531 3.773 20 30 GHEDRO OC[C@H]1C[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C[C@@H]1C(F)(F)F ZINC001231824837 1034931153 /nfs/dbraw/zinc/93/11/53/1034931153.db2.gz OZAHLCLJWVAIMW-PWSUYJOCSA-N 1 0 375.284 3.526 20 30 GHEDRO COC(=O)C1(Nc2nc(Cl)cc(C)c2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160300616 1034934089 /nfs/dbraw/zinc/93/40/89/1034934089.db2.gz AHWXACMLXOPBKV-UHFFFAOYSA-N 1 0 398.894 3.535 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC001208584706 1034941608 /nfs/dbraw/zinc/94/16/08/1034941608.db2.gz OBMFDYQYDSDBGE-NRFANRHFSA-N 1 0 394.563 3.536 20 30 GHEDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001231854323 1034944429 /nfs/dbraw/zinc/94/44/29/1034944429.db2.gz FKPSDGGZIAEGQX-UHFFFAOYSA-N 1 0 395.503 3.685 20 30 GHEDRO C[C@@H](C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1)OCc1ccccc1 ZINC001208702874 1034986949 /nfs/dbraw/zinc/98/69/49/1034986949.db2.gz WSPLJVMUVCDROJ-CYFREDJKSA-N 1 0 389.499 3.592 20 30 GHEDRO COc1cnc(C[N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)cn1 ZINC001231939880 1034999863 /nfs/dbraw/zinc/99/98/63/1034999863.db2.gz ROZJKDUPRSPMPT-OAQYLSRUSA-N 1 0 384.483 3.817 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ncccc4Cl)C3)C2)c1 ZINC001231959302 1035007090 /nfs/dbraw/zinc/00/70/90/1035007090.db2.gz BWQSJZMUVKBLPW-JOCHJYFZSA-N 1 0 396.922 3.726 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]([NH3+])COCc1ccccc1 ZINC001160739198 1035051039 /nfs/dbraw/zinc/05/10/39/1035051039.db2.gz SZOIAPOUJHUMCC-HXUWFJFHSA-N 1 0 385.895 3.516 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)c1 ZINC001208849434 1035056634 /nfs/dbraw/zinc/05/66/34/1035056634.db2.gz HHSFXLGRTSBCBT-DEOSSOPVSA-N 1 0 375.516 3.862 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001208849580 1035057256 /nfs/dbraw/zinc/05/72/56/1035057256.db2.gz IWHVJOVLBKVRCM-QHCPKHFHSA-N 1 0 377.463 3.759 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](CCCc2cccc(C#N)c2)C2COC2)CC1 ZINC001208850864 1035058460 /nfs/dbraw/zinc/05/84/60/1035058460.db2.gz LNRVXJPPLXOTKE-UHFFFAOYSA-N 1 0 399.535 3.591 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)cc1 ZINC001208859809 1035063721 /nfs/dbraw/zinc/06/37/21/1035063721.db2.gz UKAZAWQPHWMHCF-UHFFFAOYSA-N 1 0 379.548 3.996 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)cc1 ZINC001208861564 1035064581 /nfs/dbraw/zinc/06/45/81/1035064581.db2.gz MMYLUFRNVJBRMN-UHFFFAOYSA-N 1 0 388.515 3.514 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)cc1Cl ZINC001232114645 1035103288 /nfs/dbraw/zinc/10/32/88/1035103288.db2.gz PPCMDGVVYODDCW-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001160951479 1035103478 /nfs/dbraw/zinc/10/34/78/1035103478.db2.gz MFNJLHWQNLNYLH-MHECFPHRSA-N 1 0 399.494 3.924 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1c(F)cncc1Br)C2 ZINC001232127541 1035111330 /nfs/dbraw/zinc/11/13/30/1035111330.db2.gz RKFJNKTWDRXANP-MSOLQXFVSA-N 1 0 399.304 3.557 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(-c3cccnc3)o1)[C@H]2CC ZINC001232131790 1035114504 /nfs/dbraw/zinc/11/45/04/1035114504.db2.gz SBLQBRJPUVWDFZ-UGKGYDQZSA-N 1 0 380.492 3.658 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@H](CC[NH+]2CCC(c3cccc(C#N)c3)CC2)C1 ZINC001209066991 1035161451 /nfs/dbraw/zinc/16/14/51/1035161451.db2.gz OZECYEMMANYGBX-NRFANRHFSA-N 1 0 399.535 3.764 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCCCCCCCCC(=O)OC)C2)C1=O ZINC001209094903 1035170807 /nfs/dbraw/zinc/17/08/07/1035170807.db2.gz JFACPGNZXIAGPF-QFIPXVFZSA-N 1 0 378.557 3.781 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(NCC2CC[NH+](C3CCOCC3)CC2)c1C#N ZINC001161234230 1035186878 /nfs/dbraw/zinc/18/68/78/1035186878.db2.gz KQDVLGJRJDEBKV-UHFFFAOYSA-N 1 0 383.323 3.871 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C1 ZINC001209140992 1035190179 /nfs/dbraw/zinc/19/01/79/1035190179.db2.gz IAHLQEFYANAJLQ-UHFFFAOYSA-N 1 0 384.520 3.665 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161243608 1035190434 /nfs/dbraw/zinc/19/04/34/1035190434.db2.gz UTPOGPZZSZVDDL-UHFFFAOYSA-N 1 0 391.853 3.553 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)ccc(Cl)c3OC)CC2)C1=O ZINC001276639375 1035265622 /nfs/dbraw/zinc/26/56/22/1035265622.db2.gz HXMZVMRFNJTOKE-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO Cc1ccc2nc(N3CCC([NH3+])(c4cccnc4)CC3)c(C#N)c(Cl)c2c1 ZINC001161586841 1035265578 /nfs/dbraw/zinc/26/55/78/1035265578.db2.gz GUJUMYLQLLANMP-UHFFFAOYSA-N 1 0 377.879 3.918 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001461958516 1069914274 /nfs/dbraw/zinc/91/42/74/1069914274.db2.gz BYCVBZVUZTXIPS-SJLPKXTDSA-N 1 0 386.540 3.749 20 30 GHEDRO C=CCCCCCC[N@@H+]1C[C@@H](C(=O)N(C)Cc2ccccn2)C[C@H]2OCC[C@H]21 ZINC001209435891 1035273949 /nfs/dbraw/zinc/27/39/49/1035273949.db2.gz OQIJCKQLJLDAES-KSEOMHKRSA-N 1 0 385.552 3.656 20 30 GHEDRO C=CCCCCCC[NH+]1CCC([C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001209441620 1035275041 /nfs/dbraw/zinc/27/50/41/1035275041.db2.gz XYHGGNAOHFKTJX-GOSISDBHSA-N 1 0 382.545 3.901 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]2CC ZINC001209461716 1035280430 /nfs/dbraw/zinc/28/04/30/1035280430.db2.gz NEUNOFORAIBKGV-FGSXEWAUSA-N 1 0 393.572 3.711 20 30 GHEDRO COc1cc(C#N)ccc1Nc1ccc(N2CCC([NH+](C)C)CC2)cc1OC ZINC001209462545 1035280885 /nfs/dbraw/zinc/28/08/85/1035280885.db2.gz UOOFHKLOTNAQQF-UHFFFAOYSA-N 1 0 380.492 3.849 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)cc2n1 ZINC001209582024 1035317865 /nfs/dbraw/zinc/31/78/65/1035317865.db2.gz LBFSNENUICNOSJ-QGZVFWFLSA-N 1 0 377.492 3.864 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(C(F)(F)F)cc3F)no2)cc1 ZINC001248156085 1035583332 /nfs/dbraw/zinc/58/33/32/1035583332.db2.gz DFDNWMNNYMPTPL-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC001248156924 1035584575 /nfs/dbraw/zinc/58/45/75/1035584575.db2.gz HDJGHBUIZCIRGZ-HXUWFJFHSA-N 1 0 387.487 3.711 20 30 GHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241502128 1035596369 /nfs/dbraw/zinc/59/63/69/1035596369.db2.gz ADGSPUZCYRDFAK-IBGZPJMESA-N 1 0 398.466 3.699 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC001248181032 1035609031 /nfs/dbraw/zinc/60/90/31/1035609031.db2.gz OCKQPCXEAJNABG-HNNXBMFYSA-N 1 0 388.349 3.619 20 30 GHEDRO CCn1cc(-c2ccc(N3CC[NH+](CC)CC3)cc2)c2sc(C#N)cc2c1=O ZINC001241746387 1035674123 /nfs/dbraw/zinc/67/41/23/1035674123.db2.gz ZITIIKZBEMZPOR-UHFFFAOYSA-N 1 0 392.528 3.763 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccc(OCC[NH+](C)C)cc2)n1 ZINC001242149288 1035832263 /nfs/dbraw/zinc/83/22/63/1035832263.db2.gz LUFFYWFQDGDSIH-CFLOSXJVSA-N 1 0 387.549 3.879 20 30 GHEDRO Cc1ccc(-c2ccnc(N3CC[NH2+]CC3)c2)cc1NC(=O)c1cccc(C#N)c1 ZINC001242395763 1035900315 /nfs/dbraw/zinc/90/03/15/1035900315.db2.gz YMCHSHXZHWEHQC-UHFFFAOYSA-N 1 0 397.482 3.591 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001248750713 1036107964 /nfs/dbraw/zinc/10/79/64/1036107964.db2.gz SYUVBDRAVJTCKQ-XMMPIXPASA-N 1 0 388.515 3.673 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001248750733 1036108347 /nfs/dbraw/zinc/10/83/47/1036108347.db2.gz UJRZJJKIRVHJES-RBZQAINGSA-N 1 0 391.515 3.854 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001248750734 1036108372 /nfs/dbraw/zinc/10/83/72/1036108372.db2.gz UJRZJJKIRVHJES-WXFUMESZSA-N 1 0 391.515 3.854 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001248750637 1036108581 /nfs/dbraw/zinc/10/85/81/1036108581.db2.gz QROIFHADKUEGDJ-RPBOFIJWSA-N 1 0 389.543 3.638 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Br)cnc1C)C2 ZINC001248779541 1036140313 /nfs/dbraw/zinc/14/03/13/1036140313.db2.gz ODIBETHSDCKTKW-RBUKOAKNSA-N 1 0 395.341 3.726 20 30 GHEDRO CN(c1ccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cn1)C1CCCCC1 ZINC001243597012 1036214316 /nfs/dbraw/zinc/21/43/16/1036214316.db2.gz REMFBLSXIGWUNL-UHFFFAOYSA-N 1 0 375.520 3.799 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH+]3CCC(CC#N)CC3)o2)C1 ZINC001462088512 1069988807 /nfs/dbraw/zinc/98/88/07/1069988807.db2.gz PIVYAPWZYFMXKP-SFHVURJKSA-N 1 0 387.524 3.963 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC001462120453 1070012049 /nfs/dbraw/zinc/01/20/49/1070012049.db2.gz JZQHOTYEAQFEBQ-FXAWDEMLSA-N 1 0 393.506 3.859 20 30 GHEDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=S)Nc3ccc(C#N)cc3)CC2)c1 ZINC001245951485 1037077223 /nfs/dbraw/zinc/07/72/23/1037077223.db2.gz WTLPKWYKFNMJJO-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246001652 1037121873 /nfs/dbraw/zinc/12/18/73/1037121873.db2.gz SUZRVHCGYMKDMP-MYDTUXCISA-N 1 0 398.632 3.784 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@]2(CC[NH2+]2)C1 ZINC001246024302 1037141723 /nfs/dbraw/zinc/14/17/23/1037141723.db2.gz HNBUONQUGUXYIA-XZOQPEGZSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@@H]([NH2+]C)C1 ZINC001246044075 1037157404 /nfs/dbraw/zinc/15/74/04/1037157404.db2.gz IDMLQWQJQQGWPE-FGZHOGPDSA-N 1 0 386.621 3.595 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001278435779 1037235876 /nfs/dbraw/zinc/23/58/76/1037235876.db2.gz YLHUDBCWJIAKIT-FQEVSTJZSA-N 1 0 380.964 3.821 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)c(C)s3)CC2)C1=O ZINC001277679251 1038308821 /nfs/dbraw/zinc/30/88/21/1038308821.db2.gz IYARLRANCFMVJK-SFHVURJKSA-N 1 0 395.366 3.657 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc4ccoc4cn3)C[C@@H]2c2ccccc2)C1=O ZINC001232551958 1038319303 /nfs/dbraw/zinc/31/93/03/1038319303.db2.gz LHIUVYJJRNHSTH-QPPBQGQZSA-N 1 0 387.483 3.832 20 30 GHEDRO C=CCCCNC(=S)N1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001247728040 1038349612 /nfs/dbraw/zinc/34/96/12/1038349612.db2.gz MFJNYNMDJORJPN-UHFFFAOYSA-N 1 0 376.570 3.563 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC001232607281 1038389219 /nfs/dbraw/zinc/38/92/19/1038389219.db2.gz GUDQEAJBIKBMKO-HJNYFJLDSA-N 1 0 397.954 3.782 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc([C@@]34C[NH2+]C[C@@H]3CCN4)n2)cc1 ZINC001247836427 1038414757 /nfs/dbraw/zinc/41/47/57/1038414757.db2.gz MEUBPBGPAQPSRD-PGRDOPGGSA-N 1 0 384.524 3.884 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@H]4COC5(C4)CC[NH2+]CC5)n3)cc2)cc1 ZINC001247843652 1038419352 /nfs/dbraw/zinc/41/93/52/1038419352.db2.gz HORUAWFGWLOIIS-FQEVSTJZSA-N 1 0 386.455 3.901 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cc1 ZINC001247849734 1038424642 /nfs/dbraw/zinc/42/46/42/1038424642.db2.gz MUZQUUUAGLNDLG-AVRDEDQJSA-N 1 0 385.508 3.963 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccccc3NC)C[C@@H]2c2ccccc2)C1=O ZINC001232668060 1038465047 /nfs/dbraw/zinc/46/50/47/1038465047.db2.gz NJFVOQXXDSRPPX-QPPBQGQZSA-N 1 0 375.516 3.732 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(CC[NH2+]Cc2ccccc2)n1 ZINC001248045169 1038554099 /nfs/dbraw/zinc/55/40/99/1038554099.db2.gz RJORMGODDBPCRN-UHFFFAOYSA-N 1 0 383.249 3.703 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)s1 ZINC001232842690 1038593762 /nfs/dbraw/zinc/59/37/62/1038593762.db2.gz CFNDTCDOJBPJTG-NHCUHLMSSA-N 1 0 383.517 3.603 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001232844042 1038595068 /nfs/dbraw/zinc/59/50/68/1038595068.db2.gz FSVAEFQMPYRGHU-VQIMIIECSA-N 1 0 379.501 3.791 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)s1 ZINC001232843712 1038595342 /nfs/dbraw/zinc/59/53/42/1038595342.db2.gz VYWMDBFQFNJGRM-ICSRJNTNSA-N 1 0 387.480 3.604 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c(I)c1 ZINC001232870564 1038633796 /nfs/dbraw/zinc/63/37/96/1038633796.db2.gz MKLSLLPJTRRIRU-UHFFFAOYSA-N 1 0 378.213 3.500 20 30 GHEDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(Br)c(C#N)c1 ZINC001232896583 1038692010 /nfs/dbraw/zinc/69/20/10/1038692010.db2.gz OTNXNXXBGJKLGD-UHFFFAOYSA-N 1 0 382.302 3.667 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)n1 ZINC001232924611 1038713612 /nfs/dbraw/zinc/71/36/12/1038713612.db2.gz NVVDDEYGHZBVPT-UHFFFAOYSA-N 1 0 388.515 3.718 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cnc(OC)c3ccccc13)C2 ZINC001232949673 1038726658 /nfs/dbraw/zinc/72/66/58/1038726658.db2.gz XWWBGLXUURZUCA-HSZRJFAPSA-N 1 0 379.504 3.777 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001233081302 1038851071 /nfs/dbraw/zinc/85/10/71/1038851071.db2.gz CALFICRDAFDIJJ-OAQYLSRUSA-N 1 0 382.458 3.999 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001233081537 1038852881 /nfs/dbraw/zinc/85/28/81/1038852881.db2.gz YUXQXSQAZXADPP-VWLOTQADSA-N 1 0 396.494 3.998 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233083236 1038853805 /nfs/dbraw/zinc/85/38/05/1038853805.db2.gz BCTISZPMJQWOGM-FQEVSTJZSA-N 1 0 387.524 3.715 20 30 GHEDRO Cc1nc(CN2CC[C@]3(CCC[N@H+](Cc4ccc(C#N)cc4C)C3)C2=O)cs1 ZINC001233081857 1038856468 /nfs/dbraw/zinc/85/64/68/1038856468.db2.gz RQDMILKIVWIOLH-QFIPXVFZSA-N 1 0 394.544 3.646 20 30 GHEDRO COC(=O)c1ccc(C2CC[NH+](Cc3ccc(N(C)C)c(C#N)c3F)CC2)cc1 ZINC001233100906 1038880437 /nfs/dbraw/zinc/88/04/37/1038880437.db2.gz NINKAFBKYOZBAP-UHFFFAOYSA-N 1 0 395.478 3.930 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001252130729 1038882508 /nfs/dbraw/zinc/88/25/08/1038882508.db2.gz XHNXTQQVZKFEIJ-INIZCTEOSA-N 1 0 388.478 3.729 20 30 GHEDRO CN(C)c1ccc(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)c(F)c1C#N ZINC001233102965 1038886803 /nfs/dbraw/zinc/88/68/03/1038886803.db2.gz VGQZBPBPVBUWNL-UHFFFAOYSA-N 1 0 378.495 3.570 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252313831 1038939584 /nfs/dbraw/zinc/93/95/84/1038939584.db2.gz RMYKNURMVISROD-SNUQEOBHSA-N 1 0 383.414 3.529 20 30 GHEDRO CCC[N@H+](C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](C)CC ZINC001252311936 1038939708 /nfs/dbraw/zinc/93/97/08/1038939708.db2.gz BMUHLLASGUXGLW-SCLBCKFNSA-N 1 0 385.430 3.777 20 30 GHEDRO C[C@@H]1CCC[N@H+](C[C@@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC001252316055 1038940550 /nfs/dbraw/zinc/94/05/50/1038940550.db2.gz DLLPDKWKGRFKER-PJIJBLCYSA-N 1 0 397.441 3.635 20 30 GHEDRO CC(C)C1CC[NH+](C[C@@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001252323536 1038942611 /nfs/dbraw/zinc/94/26/11/1038942611.db2.gz XRBGEPGKOMCDDP-LJQANCHMSA-N 1 0 397.441 3.635 20 30 GHEDRO CC(C)CC[C@@H](C)[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340545 1038946315 /nfs/dbraw/zinc/94/63/15/1038946315.db2.gz RJGCJOQPRUEYDR-FZKQIMNGSA-N 1 0 385.430 3.681 20 30 GHEDRO C=CCOC[C@H](O)C[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001252462406 1038998388 /nfs/dbraw/zinc/99/83/88/1038998388.db2.gz GZEAUWFSSLKYEW-JOCHJYFZSA-N 1 0 378.516 3.592 20 30 GHEDRO C=CCOC[C@@H](O)C[NH+]1CCC(c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC001252473717 1038999604 /nfs/dbraw/zinc/99/96/04/1038999604.db2.gz OOIZYJBCERWHRU-FQEVSTJZSA-N 1 0 390.524 3.777 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC001252585468 1039038159 /nfs/dbraw/zinc/03/81/59/1039038159.db2.gz PHNCGGFGFASGQQ-LADGPHEKSA-N 1 0 390.483 3.622 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(CC1)Cc1ccccc1CN(CC(C)C)C2=O ZINC001252597000 1039041805 /nfs/dbraw/zinc/04/18/05/1039041805.db2.gz VAZIOYLYQOAWQX-JOCHJYFZSA-N 1 0 384.564 3.637 20 30 GHEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2nsc(NC(C)=O)c2-c2ccccc2)C1 ZINC001252604203 1039044563 /nfs/dbraw/zinc/04/45/63/1039044563.db2.gz OYXRKTZIULVPCZ-QZTJIDSGSA-N 1 0 385.533 3.885 20 30 GHEDRO CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001252679710 1039077546 /nfs/dbraw/zinc/07/75/46/1039077546.db2.gz AKSZBNYRMUWDRI-DHIUTWEWSA-N 1 0 378.516 3.604 20 30 GHEDRO COC(=O)/C=C/c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001233299473 1039091706 /nfs/dbraw/zinc/09/17/06/1039091706.db2.gz ARCPNXWJYYMULN-JNCYCUAHSA-N 1 0 376.456 3.788 20 30 GHEDRO COC(=O)/C=C/c1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001233300241 1039094259 /nfs/dbraw/zinc/09/42/59/1039094259.db2.gz IJLUBFYTOVCZLJ-FLSMSTFGSA-N 1 0 376.456 3.788 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC001252942493 1039286163 /nfs/dbraw/zinc/28/61/63/1039286163.db2.gz ZLURKYFMAFEEMV-DEOSSOPVSA-N 1 0 384.483 3.669 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)C2 ZINC001233431292 1039303226 /nfs/dbraw/zinc/30/32/26/1039303226.db2.gz RSCPUYCNZHFJHS-DENIHFKCSA-N 1 0 390.524 3.845 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(n2c3ccccc3n(C)c2=O)CC1 ZINC001253238120 1039494599 /nfs/dbraw/zinc/49/45/99/1039494599.db2.gz BLNRYBOONBKAMA-FQEVSTJZSA-N 1 0 385.552 3.864 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001253242915 1039499904 /nfs/dbraw/zinc/49/99/04/1039499904.db2.gz QPUBQLHZLAPMMX-OAQYLSRUSA-N 1 0 376.516 3.907 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCC(F)(F)F ZINC001253312553 1039551323 /nfs/dbraw/zinc/55/13/23/1039551323.db2.gz NEGLYPXQOGXRIE-ZETCQYMHSA-N 1 0 396.253 3.881 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CCC[N@@H+](C)C2)c1 ZINC001233703822 1039551560 /nfs/dbraw/zinc/55/15/60/1039551560.db2.gz HDMOZNTXJBLXSB-IBGZPJMESA-N 1 0 379.456 3.872 20 30 GHEDRO CC#C[C@@H](CC(=O)OC)c1ccc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)cc1 ZINC001233726760 1039570866 /nfs/dbraw/zinc/57/08/66/1039570866.db2.gz OSKSQWPEUBOGKV-KAGYGMCKSA-N 1 0 392.499 3.966 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233754836 1039591449 /nfs/dbraw/zinc/59/14/49/1039591449.db2.gz MKAHZUDFNVQJLF-MAUKXSAKSA-N 1 0 387.398 3.617 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001253564812 1039705902 /nfs/dbraw/zinc/70/59/02/1039705902.db2.gz HRBSVYJVDYFVFQ-FQEVSTJZSA-N 1 0 390.634 3.672 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001253614045 1039723778 /nfs/dbraw/zinc/72/37/78/1039723778.db2.gz HNBDONNIPLJPLY-YADHBBJMSA-N 1 0 387.605 3.928 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1cn[nH]c1 ZINC001253614513 1039724907 /nfs/dbraw/zinc/72/49/07/1039724907.db2.gz QFAUHHITQFVGLO-OAQYLSRUSA-N 1 0 383.577 3.814 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001253615682 1039726337 /nfs/dbraw/zinc/72/63/37/1039726337.db2.gz MDEWKLSOHRFGSU-QFIPXVFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CC(COC)C1 ZINC001253616955 1039729417 /nfs/dbraw/zinc/72/94/17/1039729417.db2.gz YFMDGGNMHMWCFS-JOCHJYFZSA-N 1 0 387.605 3.880 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2ccccc2O[C@H](CC#N)C[N+](C)(C)C)cc1 ZINC001234078795 1039818770 /nfs/dbraw/zinc/81/87/70/1039818770.db2.gz DQPQNAUOGJUTMG-RDPWEWGOSA-N 1 0 379.480 3.959 20 30 GHEDRO N#Cc1cccc2nc(=O)[nH]c(O[C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)c12 ZINC001234512189 1040090313 /nfs/dbraw/zinc/09/03/13/1040090313.db2.gz AIDPDKKGTVKCTO-HNNXBMFYSA-N 1 0 380.835 3.514 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)CC1 ZINC001254354529 1040186284 /nfs/dbraw/zinc/18/62/84/1040186284.db2.gz IJUJNAIFWBVRJK-UHFFFAOYSA-N 1 0 381.495 3.616 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(Oc3cnccn3)CC2)CC1 ZINC001254358677 1040191091 /nfs/dbraw/zinc/19/10/91/1040191091.db2.gz IPUCHDWLDTZSMH-UHFFFAOYSA-N 1 0 380.467 3.863 20 30 GHEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001462447944 1070258702 /nfs/dbraw/zinc/25/87/02/1070258702.db2.gz YQHIVAXBMZKISX-LBPRGKRZSA-N 1 0 386.311 3.800 20 30 GHEDRO C=CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559016 1040329661 /nfs/dbraw/zinc/32/96/61/1040329661.db2.gz XSCNAKXMMSMAPB-XJKSGUPXSA-N 1 0 375.469 3.553 20 30 GHEDRO CCOC(OCC)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC001234861270 1040375440 /nfs/dbraw/zinc/37/54/40/1040375440.db2.gz XEUNHQIMZGWEOU-UHFFFAOYSA-N 1 0 379.504 3.952 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]c(=S)n2[C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001254639451 1040414510 /nfs/dbraw/zinc/41/45/10/1040414510.db2.gz UUTOMJKMPYKIHK-KCXAZCMYSA-N 1 0 388.487 3.962 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)(c2ccccn2)CC1 ZINC001254650377 1040418392 /nfs/dbraw/zinc/41/83/92/1040418392.db2.gz ZWGSMPXMFFMJRT-MSOLQXFVSA-N 1 0 384.524 3.632 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254660580 1040423107 /nfs/dbraw/zinc/42/31/07/1040423107.db2.gz YSTOVQMBADFZIK-DLBZAZTESA-N 1 0 377.529 3.559 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(Br)c3)CC2)C1 ZINC001254656313 1040423218 /nfs/dbraw/zinc/42/32/18/1040423218.db2.gz JHDNUIVKOZMMKR-XDKFSHSGSA-N 1 0 390.325 3.772 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)C1 ZINC001254663909 1040426508 /nfs/dbraw/zinc/42/65/08/1040426508.db2.gz DYAPWQXERHERBU-RBUKOAKNSA-N 1 0 375.516 3.636 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@]2(c2ccccc2)C1 ZINC001254671189 1040430441 /nfs/dbraw/zinc/43/04/41/1040430441.db2.gz PTXXYJPWYOJARC-XDTJVVMOSA-N 1 0 381.520 3.799 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]C13CCC(C#N)(CC1)CC3)CS2 ZINC001254686309 1040442013 /nfs/dbraw/zinc/44/20/13/1040442013.db2.gz GGFIJAXLCNOZOB-VNCLNFNDSA-N 1 0 377.554 3.688 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(C[N@H+]3CC[C@@H](CO)C3)c2)cc1 ZINC001234964985 1040469133 /nfs/dbraw/zinc/46/91/33/1040469133.db2.gz BRCCHFAGMLGOGN-OAHLLOKOSA-N 1 0 387.277 3.927 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001462470186 1070278794 /nfs/dbraw/zinc/27/87/94/1070278794.db2.gz IYBMUUDVOLKVCU-XMSQKQJNSA-N 1 0 384.524 3.503 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](NC(=[NH2+])c1ccc3ccccc3n1)C2 ZINC001254760935 1040521508 /nfs/dbraw/zinc/52/15/08/1040521508.db2.gz ANIRIVBYANOEAB-MRXNPFEDSA-N 1 0 380.492 3.730 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235285857 1040757523 /nfs/dbraw/zinc/75/75/23/1040757523.db2.gz VGMRWNFLFFOJBI-IZZQQSIFSA-N 1 0 384.277 3.502 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCN(Cc4ccccc4)C3)CC2)C1 ZINC001255110477 1040792784 /nfs/dbraw/zinc/79/27/84/1040792784.db2.gz JPLPIIYHDDUHJR-QFIPXVFZSA-N 1 0 397.563 3.762 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCN(Cc3ccccc3)C1)[C@@H]2CC ZINC001255112469 1040796982 /nfs/dbraw/zinc/79/69/82/1040796982.db2.gz NPWFPHDUQXAZDZ-AKFKNWHVSA-N 1 0 381.564 3.683 20 30 GHEDRO COc1cc(C#N)ccc1OC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255118327 1040807049 /nfs/dbraw/zinc/80/70/49/1040807049.db2.gz CYBKHTRDCCOQPE-OAQYLSRUSA-N 1 0 391.515 3.685 20 30 GHEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(Br)c2)CC1 ZINC001255162685 1040881126 /nfs/dbraw/zinc/88/11/26/1040881126.db2.gz WPWCIMAILWLVMJ-BRWVUGGUSA-N 1 0 378.314 3.772 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc(C)c1OCCO ZINC001235373699 1040882833 /nfs/dbraw/zinc/88/28/33/1040882833.db2.gz LWYJDHPTMCMWPV-QFIPXVFZSA-N 1 0 380.488 3.590 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001255198016 1040902061 /nfs/dbraw/zinc/90/20/61/1040902061.db2.gz IDSLFLHJJXPEMX-PHZGNYQRSA-N 1 0 381.398 3.819 20 30 GHEDRO C=CC[NH2+]CCN1CCC(c2cc3c(ncn3C)c(-c3ccccc3)n2)CC1 ZINC001235486448 1040958071 /nfs/dbraw/zinc/95/80/71/1040958071.db2.gz BCGYHTQHESBTLB-UHFFFAOYSA-N 1 0 375.520 3.590 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCC[C@H](C(=O)OCC)C3)C2)CC1 ZINC001255357910 1040960255 /nfs/dbraw/zinc/96/02/55/1040960255.db2.gz QUZYJXSIOGSBJJ-RBUKOAKNSA-N 1 0 392.540 3.609 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCC2CCOCC2)C1 ZINC001235516995 1040971648 /nfs/dbraw/zinc/97/16/48/1040971648.db2.gz IFXWWYIVGCCYGO-RPWUZVMVSA-N 1 0 398.547 3.567 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001278867084 1041060097 /nfs/dbraw/zinc/06/00/97/1041060097.db2.gz AYSCQPGGJXHKEM-OALUTQOASA-N 1 0 385.920 3.691 20 30 GHEDRO N#Cc1cc(F)c(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c(F)c1 ZINC001235657005 1041106884 /nfs/dbraw/zinc/10/68/84/1041106884.db2.gz HWQVQMIJPVLIGR-UHFFFAOYSA-N 1 0 385.389 3.605 20 30 GHEDRO C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001255845200 1041340049 /nfs/dbraw/zinc/34/00/49/1041340049.db2.gz GHKPDHNMJHHYFI-SBUREZEXSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001255873391 1041367658 /nfs/dbraw/zinc/36/76/58/1041367658.db2.gz PUFXYFAFMHCOLX-UZUQRXQVSA-N 1 0 377.463 3.757 20 30 GHEDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC001236861512 1041932247 /nfs/dbraw/zinc/93/22/47/1041932247.db2.gz SXQOEIWNFXONSE-UKRRQHHQSA-N 1 0 379.298 3.732 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cncc(-c4ccc(F)cc4)c3)C2)C1=O ZINC001236999655 1041985166 /nfs/dbraw/zinc/98/51/66/1041985166.db2.gz JFRCJTSOZPUQOT-QHCPKHFHSA-N 1 0 379.479 3.888 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccnc3c(OC)cccc13)CC2 ZINC001237107414 1042041031 /nfs/dbraw/zinc/04/10/31/1042041031.db2.gz CAFMFUISIPSRET-HSZRJFAPSA-N 1 0 379.504 3.777 20 30 GHEDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001237138747 1042060591 /nfs/dbraw/zinc/06/05/91/1042060591.db2.gz YGRPRBOWQHNBPU-STQMWFEESA-N 1 0 375.284 3.638 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3OCCO)CC2)cc1Cl ZINC001237203799 1042090390 /nfs/dbraw/zinc/09/03/90/1042090390.db2.gz XCHVQUUKGLPWPO-UHFFFAOYSA-N 1 0 386.879 3.626 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237469429 1042221832 /nfs/dbraw/zinc/22/18/32/1042221832.db2.gz UZSGKLSKGJYBGY-QZTJIDSGSA-N 1 0 394.519 3.739 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2cn(C)c3ccc(C#N)cc23)cc(OC)c1OC ZINC001237470449 1042222003 /nfs/dbraw/zinc/22/20/03/1042222003.db2.gz DMGITCITQFIPTB-UHFFFAOYSA-N 1 0 379.460 3.708 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1c(Cl)c3ccccc3[nH]c1=O)CCC2 ZINC001237497257 1042236363 /nfs/dbraw/zinc/23/63/63/1042236363.db2.gz LEFRUCSQQNYNLU-UHFFFAOYSA-N 1 0 398.894 3.899 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCCN(Cc1cnc(C)c(Br)c1)C2 ZINC001237553642 1042261628 /nfs/dbraw/zinc/26/16/28/1042261628.db2.gz XKVGDCRPZDWAGB-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO N#Cc1ccc2nc(CN3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cn2c1 ZINC001237614806 1042282103 /nfs/dbraw/zinc/28/21/03/1042282103.db2.gz RSTBLVURJVOPEQ-HSZRJFAPSA-N 1 0 389.478 3.586 20 30 GHEDRO N#Cc1ccc2nc(C[NH+]3CCC4(CC3)OC(=O)c3cc(Cl)ccc34)cn2c1 ZINC001237616884 1042283179 /nfs/dbraw/zinc/28/31/79/1042283179.db2.gz HZJMELLUYNMWLW-UHFFFAOYSA-N 1 0 392.846 3.521 20 30 GHEDRO N#Cc1ccc2nc(CN3CC[NH+](Cc4ccc5ccccc5c4)CC3)cn2c1 ZINC001237617843 1042284075 /nfs/dbraw/zinc/28/40/75/1042284075.db2.gz OAKVYGSZUJYBDT-UHFFFAOYSA-N 1 0 381.483 3.677 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]12 ZINC001237751047 1042353880 /nfs/dbraw/zinc/35/38/80/1042353880.db2.gz QZSXDEWHPPFCKO-GOTSBHOMSA-N 1 0 393.918 3.976 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(I)c1[O-] ZINC001237779564 1042365602 /nfs/dbraw/zinc/36/56/02/1042365602.db2.gz KHZPBXSHXLVMIY-UHFFFAOYSA-N 1 0 378.213 3.500 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(-c4ccccn4)n3)C2)C1 ZINC001237828397 1042389480 /nfs/dbraw/zinc/38/94/80/1042389480.db2.gz HURAKTCLSGBZLK-QHCPKHFHSA-N 1 0 392.503 3.754 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(F)cc(OCC)c3)C2)C1 ZINC001237913007 1042420244 /nfs/dbraw/zinc/42/02/44/1042420244.db2.gz KBLAEPFLAZSWSO-OAQYLSRUSA-N 1 0 376.472 3.835 20 30 GHEDRO CCOc1cc(F)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001237915385 1042421031 /nfs/dbraw/zinc/42/10/31/1042421031.db2.gz REHRXOSZFAJUID-HSZRJFAPSA-N 1 0 393.462 3.725 20 30 GHEDRO CCOC(=O)COc1cccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c1 ZINC001237919786 1042422551 /nfs/dbraw/zinc/42/25/51/1042422551.db2.gz RXBSCXAEWABOLO-NRFANRHFSA-N 1 0 394.471 3.544 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3csc(-c4cccc(F)c4)n3)C2)C1=O ZINC001237969631 1042440609 /nfs/dbraw/zinc/44/06/09/1042440609.db2.gz IWEVTDWMSGPBSZ-NRFANRHFSA-N 1 0 385.508 3.950 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cccc(N4CCCCC4)n3)C2)c1 ZINC001238003287 1042454369 /nfs/dbraw/zinc/45/43/69/1042454369.db2.gz JNCMWESTBMKUEQ-QFIPXVFZSA-N 1 0 376.504 3.987 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238014258 1042459712 /nfs/dbraw/zinc/45/97/12/1042459712.db2.gz OIDWEGQNVXINST-DENIHFKCSA-N 1 0 381.476 3.595 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(F)cc(C)c3O)C2)CC1 ZINC001238058291 1042478201 /nfs/dbraw/zinc/47/82/01/1042478201.db2.gz PTRGNQLUCVQDNX-UHFFFAOYSA-N 1 0 376.472 3.840 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)c(Cl)c1 ZINC001238082655 1042485376 /nfs/dbraw/zinc/48/53/76/1042485376.db2.gz KNXRKRROUKHLJA-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]12 ZINC001238082884 1042485494 /nfs/dbraw/zinc/48/54/94/1042485494.db2.gz MWABIRBODABCNQ-PKTZIBPZSA-N 1 0 393.918 3.976 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(F)ccnc1Cl)CC2 ZINC001238226332 1042525186 /nfs/dbraw/zinc/52/51/86/1042525186.db2.gz SVDHLONTZKZTHZ-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)ccc1C#N ZINC001238406168 1042586043 /nfs/dbraw/zinc/58/60/43/1042586043.db2.gz MRCBMPOHZIDJCF-VXKWHMMOSA-N 1 0 377.488 3.574 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)ccc1C#N ZINC001238407945 1042586894 /nfs/dbraw/zinc/58/68/94/1042586894.db2.gz VDEWGYYUEPAYJK-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ncc(OC)cc3Cl)C2)CC1 ZINC001238483944 1042614111 /nfs/dbraw/zinc/61/41/11/1042614111.db2.gz ZLHNPMQFZHNHIN-UHFFFAOYSA-N 1 0 393.915 3.744 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc(F)cc(N3CCCC3)c1)C2 ZINC001238703146 1042691572 /nfs/dbraw/zinc/69/15/72/1042691572.db2.gz GZDCPHZSUPSVRA-HSZRJFAPSA-N 1 0 385.527 3.959 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)ccc1C#N ZINC001238763331 1042719035 /nfs/dbraw/zinc/71/90/35/1042719035.db2.gz RQCCNQQKUZFLOA-QHCPKHFHSA-N 1 0 387.527 3.959 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001239016393 1042759597 /nfs/dbraw/zinc/75/95/97/1042759597.db2.gz PZEKZISUEXSBDV-OAHLLOKOSA-N 1 0 384.508 3.683 20 30 GHEDRO CC[NH+](CC)CCn1cc(-c2nc3c(c(C#N)c2C#N)CCCCCC3)cn1 ZINC001239200873 1042785547 /nfs/dbraw/zinc/78/55/47/1042785547.db2.gz RVBVVZVNXIAPSY-UHFFFAOYSA-N 1 0 376.508 3.689 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001239213402 1042787329 /nfs/dbraw/zinc/78/73/29/1042787329.db2.gz BZWHXHQOJLWDCL-HXUWFJFHSA-N 1 0 385.552 3.803 20 30 GHEDRO Cc1ccc2c(c1)C1(C[C@H]2NC(=S)Nc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC001239362450 1042813248 /nfs/dbraw/zinc/81/32/48/1042813248.db2.gz HIBUSCRFDLDYCD-HXUWFJFHSA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@]3(CCCC[NH2+]3)C2)cc1C(F)(F)F ZINC001239420731 1042825305 /nfs/dbraw/zinc/82/53/05/1042825305.db2.gz ZITCGENBRNEVEN-QGZVFWFLSA-N 1 0 382.455 3.882 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001239434504 1042828726 /nfs/dbraw/zinc/82/87/26/1042828726.db2.gz RHGMUPJUWVLYHS-SIKLNZKXSA-N 1 0 376.529 3.508 20 30 GHEDRO CC(=O)Nc1ccc(OC(F)(F)F)cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240345419 1042922299 /nfs/dbraw/zinc/92/22/99/1042922299.db2.gz GXZQOFIATRATFT-UHFFFAOYSA-N 1 0 375.350 3.769 20 30 GHEDRO C[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001291038943 1043048942 /nfs/dbraw/zinc/04/89/42/1043048942.db2.gz VZTPSBUDCUQCND-YLJYHZDGSA-N 1 0 392.551 3.956 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC001291142919 1043106534 /nfs/dbraw/zinc/10/65/34/1043106534.db2.gz NXHYNGYCTOJNCU-RTBURBONSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001291441163 1043257796 /nfs/dbraw/zinc/25/77/96/1043257796.db2.gz FYGFLNFFOCJLPU-XLIONFOSSA-N 1 0 392.551 3.784 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001291442169 1043258560 /nfs/dbraw/zinc/25/85/60/1043258560.db2.gz ZFTZSYPIUMMLQG-OXQOHEQNSA-N 1 0 380.540 3.640 20 30 GHEDRO C=CC[N@H+](C1CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001256520854 1043444894 /nfs/dbraw/zinc/44/48/94/1043444894.db2.gz QGQBHAOSIMABJH-ROUUACIJSA-N 1 0 380.529 3.748 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(C2CCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001291770847 1043452893 /nfs/dbraw/zinc/45/28/93/1043452893.db2.gz ABKZSSZIYVWKQO-KRWDZBQOSA-N 1 0 380.540 3.784 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC001291811885 1043479068 /nfs/dbraw/zinc/47/90/68/1043479068.db2.gz APUAARIJIVJIHW-SFHVURJKSA-N 1 0 382.504 3.959 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC001291845297 1043496432 /nfs/dbraw/zinc/49/64/32/1043496432.db2.gz NHYYXGSNDVONDB-HLAWJBBLSA-N 1 0 394.567 3.900 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCc3c(cccc3OC)C1)[C@@H]2CC ZINC001256647905 1043592133 /nfs/dbraw/zinc/59/21/33/1043592133.db2.gz IVZQLSCCZDUOQE-KWOQKUFVSA-N 1 0 382.548 3.974 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN([C@@H](C)Cc2ccccc2Br)C1 ZINC001256845499 1043694463 /nfs/dbraw/zinc/69/44/63/1043694463.db2.gz ABSCKBLECOKJEN-HOCLYGCPSA-N 1 0 381.314 3.757 20 30 GHEDRO N#Cc1ccccc1OCC[NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256881283 1043718157 /nfs/dbraw/zinc/71/81/57/1043718157.db2.gz HBDKXCKMWOXJFD-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](C2CCC(C#N)CC2)C3)n1 ZINC001256967772 1043776986 /nfs/dbraw/zinc/77/69/86/1043776986.db2.gz JHLHXEDWXKBAHI-IXFUEQBVSA-N 1 0 383.536 3.860 20 30 GHEDRO N#CC1CCC([NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001256970827 1043777962 /nfs/dbraw/zinc/77/79/62/1043777962.db2.gz FXFZXDOFVXZBJT-UHFFFAOYSA-N 1 0 379.426 3.982 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCO1 ZINC001257016368 1043800994 /nfs/dbraw/zinc/80/09/94/1043800994.db2.gz BIBGOSOXWZPMGH-XVAXZDLZSA-N 1 0 399.535 3.810 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3C[C@@H]4CN(C(=O)c5ccco5)C[C@H]4C3)CC2)cc1 ZINC001257019372 1043802491 /nfs/dbraw/zinc/80/24/91/1043802491.db2.gz IXYIUPJFQPSNSK-PWAJEDTMSA-N 1 0 389.499 3.881 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cccc(C#N)c2Cl)cc1 ZINC001462757509 1070526327 /nfs/dbraw/zinc/52/63/27/1070526327.db2.gz WWRXQBMEELEQCK-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)Cc1ccc(C(=O)OCC)cc1)CC2 ZINC001257161974 1043907497 /nfs/dbraw/zinc/90/74/97/1043907497.db2.gz JDHYKDKZMUDUDQ-CYFREDJKSA-N 1 0 398.547 3.827 20 30 GHEDRO CC(C)[C@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C ZINC001257174857 1043918220 /nfs/dbraw/zinc/91/82/20/1043918220.db2.gz AZWKQSMKFSGDAI-AZUAARDMSA-N 1 0 387.524 3.951 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001292880830 1043927895 /nfs/dbraw/zinc/92/78/95/1043927895.db2.gz LXOOZBDMICQKHE-CTNGQTDRSA-N 1 0 381.907 3.976 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)c1cc(Cl)cc(Cl)c1)C(C)C ZINC001292958375 1043965283 /nfs/dbraw/zinc/96/52/83/1043965283.db2.gz JUWZCDWGJRTTQO-QGZVFWFLSA-N 1 0 383.319 3.991 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)CCC(=O)OCCCC)CC2 ZINC001257394188 1043982189 /nfs/dbraw/zinc/98/21/89/1043982189.db2.gz YIDCMIUXBGQZTK-IBGZPJMESA-N 1 0 394.556 3.999 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001293467433 1044196843 /nfs/dbraw/zinc/19/68/43/1044196843.db2.gz RXCWCDBCGDTKAP-GHTZIAJQSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3OC[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@@H]43)C[C@H](C1)C2 ZINC001257886910 1044245235 /nfs/dbraw/zinc/24/52/35/1044245235.db2.gz PJNHBSBMYPGKIB-YPZPXWGVSA-N 1 0 390.568 3.983 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@]4(C3)COCCN(c3ccc(C)nn3)C4)C[C@H](C1)C2 ZINC001257890837 1044246541 /nfs/dbraw/zinc/24/65/41/1044246541.db2.gz BCVYXDOHNUJGFV-OTTNMNEJSA-N 1 0 396.579 3.839 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(c3nc4cc(Cl)ccn4c3C#N)CC2)cc1 ZINC001258023196 1044349979 /nfs/dbraw/zinc/34/99/79/1044349979.db2.gz KSULUUYNRCUYBS-UHFFFAOYSA-N 1 0 379.895 3.880 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)/C=C/c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC001293866071 1044352709 /nfs/dbraw/zinc/35/27/09/1044352709.db2.gz ZWWQDQKKNZPPBX-KVTJOUQJSA-N 1 0 386.492 3.669 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)cc1 ZINC001258135604 1044420963 /nfs/dbraw/zinc/42/09/63/1044420963.db2.gz BZNZQKHILNIBSA-OAQYLSRUSA-N 1 0 395.528 3.702 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2 ZINC001258714208 1044732629 /nfs/dbraw/zinc/73/26/29/1044732629.db2.gz KRWHZJWNACFOCI-SFHVURJKSA-N 1 0 390.572 3.906 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)C1 ZINC001296039372 1045229564 /nfs/dbraw/zinc/22/95/64/1045229564.db2.gz QTTWZMONCWKTFE-HXUWFJFHSA-N 1 0 392.551 3.929 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2C)C[C@@H]1C ZINC001296147106 1045264117 /nfs/dbraw/zinc/26/41/17/1045264117.db2.gz NLZWAOGFBJKFQP-LQWHRVPQSA-N 1 0 392.551 3.783 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001296881024 1045391895 /nfs/dbraw/zinc/39/18/95/1045391895.db2.gz NWGVNUUDWYYVQW-FLSMSTFGSA-N 1 0 394.490 3.825 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001297373055 1045505315 /nfs/dbraw/zinc/50/53/15/1045505315.db2.gz MEUBCNHLINHFFR-AWEZNQCLSA-N 1 0 385.321 3.733 20 30 GHEDRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C#CC(C)(C)C ZINC001297938144 1045663969 /nfs/dbraw/zinc/66/39/69/1045663969.db2.gz QSHMMDFKXDDKLH-CQSZACIVSA-N 1 0 392.341 3.577 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1OC ZINC001261787692 1046092431 /nfs/dbraw/zinc/09/24/31/1046092431.db2.gz XURXWTAEJIHELO-OAHLLOKOSA-N 1 0 380.916 3.652 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300799580 1046168127 /nfs/dbraw/zinc/16/81/27/1046168127.db2.gz BAVBZSAZBZKOBR-YSZBQJHXSA-N 1 0 394.567 3.776 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)C[NH+](C)C ZINC001300906316 1046233496 /nfs/dbraw/zinc/23/34/96/1046233496.db2.gz NEWOBVBGWARZEA-UHFFFAOYSA-N 1 0 390.963 3.984 20 30 GHEDRO C=CCCCn1c(COCC)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001301234788 1046421345 /nfs/dbraw/zinc/42/13/45/1046421345.db2.gz QQDZSPLGOMDBTE-HXUWFJFHSA-N 1 0 389.588 3.729 20 30 GHEDRO Cc1cccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1C#N ZINC001463079520 1070778322 /nfs/dbraw/zinc/77/83/22/1070778322.db2.gz YNGZWAZATGIAOC-UHFFFAOYSA-N 1 0 397.544 3.721 20 30 GHEDRO C=CCn1c(Cc2ncccc2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001262963022 1046452713 /nfs/dbraw/zinc/45/27/13/1046452713.db2.gz CMLZJCATAWHWBU-UHFFFAOYSA-N 1 0 396.583 3.707 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301289850 1046456474 /nfs/dbraw/zinc/45/64/74/1046456474.db2.gz SEAIMRHNTBSEKW-HDICACEKSA-N 1 0 382.556 3.639 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccncc2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001301302370 1046463425 /nfs/dbraw/zinc/46/34/25/1046463425.db2.gz AJDHDKKXDSUMAH-LJQANCHMSA-N 1 0 382.556 3.541 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](CC(C)C)[NH+](C)C)C1CC1 ZINC001301323116 1046485607 /nfs/dbraw/zinc/48/56/07/1046485607.db2.gz QFLGQJSEOVIUFA-IBGZPJMESA-N 1 0 382.556 3.780 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccc2OC)n1CC[NH+]1CCCCC1)C1CC1 ZINC001301330888 1046494506 /nfs/dbraw/zinc/49/45/06/1046494506.db2.gz YYBKTGAIWYRZLF-UHFFFAOYSA-N 1 0 395.551 3.518 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301539711 1046586883 /nfs/dbraw/zinc/58/68/83/1046586883.db2.gz WACFFKSOPAKWFR-HSALFYBXSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301539785 1046588452 /nfs/dbraw/zinc/58/84/52/1046588452.db2.gz WQTFWHVMRCXUJN-XUVXKRRUSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001263285358 1046679835 /nfs/dbraw/zinc/67/98/35/1046679835.db2.gz FJFDBUAHSIJEMX-QFIPXVFZSA-N 1 0 385.556 3.501 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001301972231 1046769966 /nfs/dbraw/zinc/76/99/66/1046769966.db2.gz TVOKHMOCJRZOPO-HKUYNNGSSA-N 1 0 396.539 3.647 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(Cc3cccc(C#N)c3)n2CC(C)C)CC1 ZINC001263418322 1046800255 /nfs/dbraw/zinc/80/02/55/1046800255.db2.gz BGHOKQXXLIEJLC-UHFFFAOYSA-N 1 0 394.567 3.707 20 30 GHEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C)[NH+]1CCCC1 ZINC001302514416 1046959738 /nfs/dbraw/zinc/95/97/38/1046959738.db2.gz QAOUJBCGORINPD-RXVVDRJESA-N 1 0 392.551 3.926 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N3Cc4ccccc4[C@H]3C)n2CC2CC2)CC1 ZINC001263754102 1047093657 /nfs/dbraw/zinc/09/36/57/1047093657.db2.gz FAULFRSADXABDN-QGZVFWFLSA-N 1 0 375.520 3.582 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001302921152 1047191208 /nfs/dbraw/zinc/19/12/08/1047191208.db2.gz WKJAKGXCOMZRQM-UGKGYDQZSA-N 1 0 386.588 3.871 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001304548228 1047709334 /nfs/dbraw/zinc/70/93/34/1047709334.db2.gz UUTLKWXKIHJDSG-RTBURBONSA-N 1 0 394.567 3.505 20 30 GHEDRO CC(C)c1nnc(N2CCC(C)(C#N)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304923649 1047809440 /nfs/dbraw/zinc/80/94/40/1047809440.db2.gz DOLXUAGTDUZVRF-OALUTQOASA-N 1 0 386.588 3.900 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001305029391 1047843738 /nfs/dbraw/zinc/84/37/38/1047843738.db2.gz DJSOPYAKSZUCQA-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H]1CCC[N@H+](CCn2c(-c3ccccc3)nnc2N(CCC#N)CC2CC2)C1 ZINC001305047750 1047855091 /nfs/dbraw/zinc/85/50/91/1047855091.db2.gz CTMKYTXMBVYZKY-IBGZPJMESA-N 1 0 392.551 3.807 20 30 GHEDRO N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2ccc(Cl)cc2F)CCC1 ZINC001279971066 1048021307 /nfs/dbraw/zinc/02/13/07/1048021307.db2.gz NZKBMHQYDFGGHO-XLQHLMKVSA-N 1 0 375.875 3.546 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305436733 1048051186 /nfs/dbraw/zinc/05/11/86/1048051186.db2.gz MNDQZEWYOMVDAB-IRXDYDNUSA-N 1 0 384.528 3.818 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[NH+]1CCCCC1 ZINC001286278121 1048248902 /nfs/dbraw/zinc/24/89/02/1048248902.db2.gz LKZRORFOWCEFIA-QZTJIDSGSA-N 1 0 399.514 3.501 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCC[NH+]1CCC(C)CC1 ZINC001286284554 1048254641 /nfs/dbraw/zinc/25/46/41/1048254641.db2.gz DELVQQKEKVZIDT-LJQANCHMSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286296423 1048260988 /nfs/dbraw/zinc/26/09/88/1048260988.db2.gz OULUXPYNTRYCME-NQIIRXRSSA-N 1 0 397.542 3.586 20 30 GHEDRO C#CCCCn1c(CCCc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286355664 1048285134 /nfs/dbraw/zinc/28/51/34/1048285134.db2.gz WJCAFODOTCVLIZ-IFMALSPDSA-N 1 0 391.563 3.540 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCC[N@H+](C)C1CCCCC1 ZINC001286367458 1048292543 /nfs/dbraw/zinc/29/25/43/1048292543.db2.gz NPVZJBODBKHFGP-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001286367952 1048292921 /nfs/dbraw/zinc/29/29/21/1048292921.db2.gz OINJBARXSLPTHB-QGZVFWFLSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001286374353 1048297367 /nfs/dbraw/zinc/29/73/67/1048297367.db2.gz XVHIUWKZGMOCMF-UHFFFAOYSA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001286404055 1048304234 /nfs/dbraw/zinc/30/42/34/1048304234.db2.gz PWKLXZVIICIVLY-UHFFFAOYSA-N 1 0 389.547 3.673 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)(C)C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001286418684 1048312367 /nfs/dbraw/zinc/31/23/67/1048312367.db2.gz GERZNWRYCHGZFE-FQEVSTJZSA-N 1 0 391.563 3.559 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC[N@H+]2CC)cc1 ZINC001305920344 1048313074 /nfs/dbraw/zinc/31/30/74/1048313074.db2.gz MLQIZDOTBSNPKY-FXAWDEMLSA-N 1 0 380.540 3.730 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286516779 1048344211 /nfs/dbraw/zinc/34/42/11/1048344211.db2.gz KGGKKENENNQVKJ-HTAPYJJXSA-N 1 0 393.491 3.735 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001286525051 1048350255 /nfs/dbraw/zinc/35/02/55/1048350255.db2.gz RGEAXBUKFZZPGE-HYBUGGRVSA-N 1 0 391.563 3.511 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286526026 1048351473 /nfs/dbraw/zinc/35/14/73/1048351473.db2.gz OMXAHIULASSLMU-ZRCGQRJVSA-N 1 0 399.583 3.632 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COCC)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286584052 1048377522 /nfs/dbraw/zinc/37/75/22/1048377522.db2.gz VYSAJJRJIXDTOE-RTBURBONSA-N 1 0 391.604 3.974 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306078792 1048396266 /nfs/dbraw/zinc/39/62/66/1048396266.db2.gz FAJOLTSFRAZSAY-MBSDFSHPSA-N 1 0 394.567 3.859 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286643962 1048409828 /nfs/dbraw/zinc/40/98/28/1048409828.db2.gz CDGKUFNNAMWVHK-RBUKOAKNSA-N 1 0 380.540 3.617 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001286661905 1048427664 /nfs/dbraw/zinc/42/76/64/1048427664.db2.gz NYTVKITYZIYJEU-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286665125 1048431949 /nfs/dbraw/zinc/43/19/49/1048431949.db2.gz SPFVGGGXINTOMQ-LJQANCHMSA-N 1 0 393.579 3.948 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286669447 1048434413 /nfs/dbraw/zinc/43/44/13/1048434413.db2.gz GJXLPKPKOGBMGW-SFHVURJKSA-N 1 0 382.556 3.940 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286670178 1048435418 /nfs/dbraw/zinc/43/54/18/1048435418.db2.gz BKZFBRBBEBBFJE-GOSISDBHSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCCCn1c(CCc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286704090 1048462548 /nfs/dbraw/zinc/46/25/48/1048462548.db2.gz ZGUDVCZEJKAZOA-TZIWHRDSSA-N 1 0 379.552 3.702 20 30 GHEDRO C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001286709355 1048467514 /nfs/dbraw/zinc/46/75/14/1048467514.db2.gz QVQZLLDPCFCCMD-UXHICEINSA-N 1 0 395.551 3.519 20 30 GHEDRO C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCC[N@H+]1CC ZINC001286728969 1048485761 /nfs/dbraw/zinc/48/57/61/1048485761.db2.gz JMPMKCLEORNDET-FQEVSTJZSA-N 1 0 392.551 3.778 20 30 GHEDRO C=CCN(c1nnc(-c2ccccc2OC)n1CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC001286733546 1048491015 /nfs/dbraw/zinc/49/10/15/1048491015.db2.gz CJWJIHSLQYXWIJ-KRWDZBQOSA-N 1 0 381.524 3.593 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CC[NH+]1CCSCC1 ZINC001286743755 1048501477 /nfs/dbraw/zinc/50/14/77/1048501477.db2.gz QVSQXOJHLFTALI-UHFFFAOYSA-N 1 0 385.581 3.643 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CC2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001286756540 1048509185 /nfs/dbraw/zinc/50/91/85/1048509185.db2.gz NWIAYSGEOBEURA-UHFFFAOYSA-N 1 0 399.583 3.758 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001286759065 1048512638 /nfs/dbraw/zinc/51/26/38/1048512638.db2.gz ZCKDXYZQOJMWCH-LJQANCHMSA-N 1 0 383.515 3.528 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001286800876 1048529372 /nfs/dbraw/zinc/52/93/72/1048529372.db2.gz RYGZBILJNWOTQF-RTBURBONSA-N 1 0 389.588 3.621 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001287405616 1048759972 /nfs/dbraw/zinc/75/99/72/1048759972.db2.gz CCSQNGCCJBDMQK-IBGZPJMESA-N 1 0 386.588 3.729 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C)C2)C1 ZINC001307038937 1049033049 /nfs/dbraw/zinc/03/30/49/1049033049.db2.gz OBZCDSIZQFVUMU-AZUAARDMSA-N 1 0 392.551 3.785 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(CC3CCCC3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001307043080 1049036490 /nfs/dbraw/zinc/03/64/90/1049036490.db2.gz YSQZAXZDBWKBNQ-SFHVURJKSA-N 1 0 386.588 3.729 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1Br ZINC001307071038 1049052984 /nfs/dbraw/zinc/05/29/84/1049052984.db2.gz DLOTZGIXHPUBHG-HIFRSBDPSA-N 1 0 378.289 3.913 20 30 GHEDRO C[NH+](C)CCCOc1cnccc1CNc1c(Br)cccc1C#N ZINC001307132061 1049094597 /nfs/dbraw/zinc/09/45/97/1049094597.db2.gz HDKRILFSEZHFHR-UHFFFAOYSA-N 1 0 389.297 3.658 20 30 GHEDRO C[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC1)[NH+]1CCCCC1 ZINC001288561661 1049139499 /nfs/dbraw/zinc/13/94/99/1049139499.db2.gz OGWFPVYNDTVURX-QGZVFWFLSA-N 1 0 378.524 3.680 20 30 GHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)cc1OC ZINC001307450849 1049288179 /nfs/dbraw/zinc/28/81/79/1049288179.db2.gz OYSKWUOYTPBAKI-VQTJNVASSA-N 1 0 386.536 3.936 20 30 GHEDRO CCC[N@H+]([C@@H]1C[C@H](OCC)C1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307481369 1049321236 /nfs/dbraw/zinc/32/12/36/1049321236.db2.gz FONVACMHYYXSEA-NJYVYQBISA-N 1 0 383.536 3.969 20 30 GHEDRO CCC[N@H+]([C@H]1C[C@@H](OCC)C1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307481370 1049321253 /nfs/dbraw/zinc/32/12/53/1049321253.db2.gz FONVACMHYYXSEA-QHAWAJNXSA-N 1 0 383.536 3.969 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)[C@H](CC)Cc2ccc(C)cc2)c1 ZINC001307496242 1049336174 /nfs/dbraw/zinc/33/61/74/1049336174.db2.gz LTWXIJBZJKEQGP-OAQYLSRUSA-N 1 0 377.488 3.578 20 30 GHEDRO CC[N@H+](CCC1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1)CC(C)C ZINC001307605240 1049444295 /nfs/dbraw/zinc/44/42/95/1049444295.db2.gz XFEJYQFTEVEYON-UHFFFAOYSA-N 1 0 385.552 3.925 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)c1 ZINC001307612217 1049450634 /nfs/dbraw/zinc/45/06/34/1049450634.db2.gz HCCKGVHOLGDAKF-FQEVSTJZSA-N 1 0 381.451 3.832 20 30 GHEDRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001307645644 1049471332 /nfs/dbraw/zinc/47/13/32/1049471332.db2.gz ANMSCVZHOBPNAU-UHFFFAOYSA-N 1 0 383.879 3.650 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001289569287 1049545642 /nfs/dbraw/zinc/54/56/42/1049545642.db2.gz WHICCQFAFLXMQX-SFHVURJKSA-N 1 0 398.555 3.953 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C(C)C)C(C)(C)O)c1C#N ZINC001307752410 1049567154 /nfs/dbraw/zinc/56/71/54/1049567154.db2.gz NSUJQZBQLIGCEO-FQEVSTJZSA-N 1 0 388.556 3.805 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)C1 ZINC001307830964 1049621553 /nfs/dbraw/zinc/62/15/53/1049621553.db2.gz QNGUXNTWODUKJZ-VQTJNVASSA-N 1 0 384.524 3.955 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001307840053 1049626623 /nfs/dbraw/zinc/62/66/23/1049626623.db2.gz RXZHVDHUGHDJGS-PMACEKPBSA-N 1 0 397.588 3.858 20 30 GHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)C[NH+]3CCC(C)CC3)c2)c1 ZINC001290504468 1049860582 /nfs/dbraw/zinc/86/05/82/1049860582.db2.gz GLIGGVMTMKBFRV-UHFFFAOYSA-N 1 0 390.483 3.543 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)c(C#N)c(C)c1)c1cccc(OC)c1 ZINC001290523467 1049871063 /nfs/dbraw/zinc/87/10/63/1049871063.db2.gz KDWJAYFHAYSFKZ-QFIPXVFZSA-N 1 0 379.504 3.997 20 30 GHEDRO CCCCCCCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308177128 1049902364 /nfs/dbraw/zinc/90/23/64/1049902364.db2.gz LCNXZZPKPFBPPC-IBGZPJMESA-N 1 0 395.588 3.891 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CN(C)C(=O)OC(C)(C)C ZINC001308273176 1049933995 /nfs/dbraw/zinc/93/39/95/1049933995.db2.gz ZHDHZPBVMREUOC-KRWDZBQOSA-N 1 0 375.513 3.962 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3CCCN3CC(F)F)c2)c1 ZINC001308465941 1049982517 /nfs/dbraw/zinc/98/25/17/1049982517.db2.gz UGOXVENZYQJGKB-HXUWFJFHSA-N 1 0 385.458 3.956 20 30 GHEDRO C#CCC[C@@H](O)C[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC001308507238 1049993322 /nfs/dbraw/zinc/99/33/22/1049993322.db2.gz KEBMGHDUOODTLW-HXUWFJFHSA-N 1 0 393.462 3.976 20 30 GHEDRO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C1CCN(c3ccccc3C#N)CC1)C2 ZINC001308892478 1050142819 /nfs/dbraw/zinc/14/28/19/1050142819.db2.gz ZZVRGYZUNYKENW-RFWXGWTQSA-N 1 0 381.520 3.629 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001308958242 1050217583 /nfs/dbraw/zinc/21/75/83/1050217583.db2.gz FRMNCVRJHACGBK-REWPJTCUSA-N 1 0 399.535 3.969 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC001309055478 1050307147 /nfs/dbraw/zinc/30/71/47/1050307147.db2.gz BNUNJKMHCAPMQS-NRFANRHFSA-N 1 0 378.582 3.840 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC001329168736 1050739191 /nfs/dbraw/zinc/73/91/91/1050739191.db2.gz MPIBDGDOHDYCIO-SFHVURJKSA-N 1 0 376.298 3.720 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC001330571544 1051030669 /nfs/dbraw/zinc/03/06/69/1051030669.db2.gz KJDLAFHWEOROHQ-NQIIRXRSSA-N 1 0 382.529 3.963 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001332010792 1051437631 /nfs/dbraw/zinc/43/76/31/1051437631.db2.gz NUAQCRXFOYGTTK-GQWLDOHISA-N 1 0 380.467 3.845 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001310863758 1051663240 /nfs/dbraw/zinc/66/32/40/1051663240.db2.gz QGMRIVDQPOVRND-ZDUSSCGKSA-N 1 0 382.302 3.620 20 30 GHEDRO CC(C)C[C@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC001311216031 1051946954 /nfs/dbraw/zinc/94/69/54/1051946954.db2.gz NAYZIZGKQURVAS-UAGQMJEPSA-N 1 0 384.446 3.896 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1c(F)cc(F)c(F)c1F)C(C)C ZINC001311387605 1052079006 /nfs/dbraw/zinc/07/90/06/1052079006.db2.gz FNJYWHBFRUHNAR-INIZCTEOSA-N 1 0 387.421 3.741 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1)C(C)C ZINC001311389263 1052081075 /nfs/dbraw/zinc/08/10/75/1052081075.db2.gz XRZMEARPXAMOCB-GGAORHGYSA-N 1 0 398.595 3.962 20 30 GHEDRO CC(C)(Cc1ccc(O)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001337278935 1052439420 /nfs/dbraw/zinc/43/94/20/1052439420.db2.gz AKDPOMGYRPRTOH-UHFFFAOYSA-N 1 0 391.515 3.613 20 30 GHEDRO C[N@@H+]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCC1(C)C ZINC001312056000 1052550256 /nfs/dbraw/zinc/55/02/56/1052550256.db2.gz LRKCXBZCEXDLIK-UHFFFAOYSA-N 1 0 382.533 3.912 20 30 GHEDRO C#C[C@H](NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC001312217714 1052642872 /nfs/dbraw/zinc/64/28/72/1052642872.db2.gz BDISIGYNLVOJFY-KNKQGSTJSA-N 1 0 375.516 3.817 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)NCc2ccc(C)c(C#N)c2)[NH+](C)C)cc1 ZINC001312753821 1052858664 /nfs/dbraw/zinc/85/86/64/1052858664.db2.gz PJQIGDWTJMSNHE-HXUWFJFHSA-N 1 0 382.533 3.691 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(C)C ZINC001312807424 1052876778 /nfs/dbraw/zinc/87/67/78/1052876778.db2.gz CSOOMCYTZMCUDL-RJGXRXQPSA-N 1 0 375.516 3.612 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313137202 1052966672 /nfs/dbraw/zinc/96/66/72/1052966672.db2.gz LBEXRXKAUKLFML-CTNGQTDRSA-N 1 0 381.520 3.788 20 30 GHEDRO CN(C(=O)NCC#CC[NH+](C)C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001313439772 1053054991 /nfs/dbraw/zinc/05/49/91/1053054991.db2.gz SHGHFJJVQAIEOE-MSOLQXFVSA-N 1 0 381.442 3.548 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342346934 1053120611 /nfs/dbraw/zinc/12/06/11/1053120611.db2.gz ZFYCZUOZQOIRKD-IBGZPJMESA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(Cc1ccco1)C(C)C ZINC001342454414 1053178158 /nfs/dbraw/zinc/17/81/58/1053178158.db2.gz KFSAUWGRWZJZHU-FQEVSTJZSA-N 1 0 399.539 3.788 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C)CC1 ZINC001313721720 1053189859 /nfs/dbraw/zinc/18/98/59/1053189859.db2.gz PQDJODSSYGAWLG-GOSISDBHSA-N 1 0 378.524 3.703 20 30 GHEDRO CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C(C)C ZINC001313769984 1053220667 /nfs/dbraw/zinc/22/06/67/1053220667.db2.gz CYHHBKVZOFLJTA-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC1CC1)C(C)C ZINC001313806617 1053239273 /nfs/dbraw/zinc/23/92/73/1053239273.db2.gz VYRQNAJPCCRBFJ-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1)C(C)C ZINC001313806666 1053240582 /nfs/dbraw/zinc/24/05/82/1053240582.db2.gz WVQFHWZSYFQDMN-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001342675998 1053292947 /nfs/dbraw/zinc/29/29/47/1053292947.db2.gz WEJHMLBHWBQHAW-ROUUACIJSA-N 1 0 375.561 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001342675996 1053293171 /nfs/dbraw/zinc/29/31/71/1053293171.db2.gz WEJHMLBHWBQHAW-QZTJIDSGSA-N 1 0 375.561 3.795 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)c1ccco1 ZINC001314653033 1053551014 /nfs/dbraw/zinc/55/10/14/1053551014.db2.gz KYWAMUITPGGKHH-HRAATJIYSA-N 1 0 384.528 3.602 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1[C@]12CCOC1=CCCCC2 ZINC001343295732 1053684659 /nfs/dbraw/zinc/68/46/59/1053684659.db2.gz QTXIQMHVJOSHGH-HSZRJFAPSA-N 1 0 399.583 3.937 20 30 GHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001343349460 1053720772 /nfs/dbraw/zinc/72/07/72/1053720772.db2.gz JEEONIRITAEDHU-IBGZPJMESA-N 1 0 395.551 3.540 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001343404566 1053753304 /nfs/dbraw/zinc/75/33/04/1053753304.db2.gz JLTYHWUONCKEAP-HSZRJFAPSA-N 1 0 397.567 3.645 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001343492115 1053808965 /nfs/dbraw/zinc/80/89/65/1053808965.db2.gz VJXYKCQTXHHXSK-MOPGFXCFSA-N 1 0 389.588 3.836 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2CC(C)C)CC1)CC1CC1 ZINC001343556748 1053876511 /nfs/dbraw/zinc/87/65/11/1053876511.db2.gz HNTGRXVSFJFQOD-RTWAWAEBSA-N 1 0 398.599 3.900 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(c2nnc(CCCC#N)n2Cc2cccs2)CC1 ZINC001343579500 1053903133 /nfs/dbraw/zinc/90/31/33/1053903133.db2.gz IYJPNLBPUHCGHM-UHFFFAOYSA-N 1 0 386.569 3.545 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001343583672 1053906494 /nfs/dbraw/zinc/90/64/94/1053906494.db2.gz SHIIJZSVRBICJJ-IPMKNSEASA-N 1 0 387.572 3.590 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001343652776 1053950254 /nfs/dbraw/zinc/95/02/54/1053950254.db2.gz FDTBVMMVQZRGEK-DLBZAZTESA-N 1 0 381.515 3.753 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001343821846 1054049754 /nfs/dbraw/zinc/04/97/54/1054049754.db2.gz ASFHLRVUUGCQTQ-UYAOXDASSA-N 1 0 381.524 3.711 20 30 GHEDRO N#CC1(COC(=O)c2nccc3occc32)CC[NH+](Cc2ccccc2)CC1 ZINC001343851570 1054065944 /nfs/dbraw/zinc/06/59/44/1054065944.db2.gz YPIOOWJVTSMTNK-UHFFFAOYSA-N 1 0 375.428 3.791 20 30 GHEDRO CC(C)(C)[NH+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC001317983016 1054339299 /nfs/dbraw/zinc/33/92/99/1054339299.db2.gz RNVDECDOSCKMRW-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO N#CCOc1cccc(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC001318617794 1054752905 /nfs/dbraw/zinc/75/29/05/1054752905.db2.gz VRRJGKBPIHILCK-JOCHJYFZSA-N 1 0 392.503 3.615 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001318771851 1054862541 /nfs/dbraw/zinc/86/25/41/1054862541.db2.gz RTHOHRRFSSQBNC-RTBURBONSA-N 1 0 382.533 3.959 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCC#N)cc2)[C@H]1c1cccs1 ZINC001318811698 1054888333 /nfs/dbraw/zinc/88/83/33/1054888333.db2.gz OLJIJORDAZMJSY-KXBFYZLASA-N 1 0 384.505 3.855 20 30 GHEDRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H](C)CCC#N)n2CC2CC2)CC1 ZINC001345123017 1054911521 /nfs/dbraw/zinc/91/15/21/1054911521.db2.gz LWAXUJAYPPYKNW-IBGZPJMESA-N 1 0 392.551 3.726 20 30 GHEDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C2 ZINC001345592631 1055134741 /nfs/dbraw/zinc/13/47/41/1055134741.db2.gz PMKYSJPWAXQCHI-BIMULSAOSA-N 1 0 398.322 3.928 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)C2=O)cc1 ZINC001320159384 1055681840 /nfs/dbraw/zinc/68/18/40/1055681840.db2.gz OKMHNRYLSJPVKI-GCJKJVERSA-N 1 0 399.498 3.810 20 30 GHEDRO CC(C)(C)[NH+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC001321868335 1056425702 /nfs/dbraw/zinc/42/57/02/1056425702.db2.gz VAAJQEJMNZAXNR-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001300583106 1056544365 /nfs/dbraw/zinc/54/43/65/1056544365.db2.gz CIHSIJNWZUNUMU-JOCHJYFZSA-N 1 0 391.563 3.551 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001300587130 1056556317 /nfs/dbraw/zinc/55/63/17/1056556317.db2.gz HTKNWUADXIJTDN-UHFFFAOYSA-N 1 0 395.595 3.738 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300616743 1056673505 /nfs/dbraw/zinc/67/35/05/1056673505.db2.gz MKUMTGOHSIMOOP-IBGZPJMESA-N 1 0 397.542 3.912 20 30 GHEDRO CC(C)(C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccc(C#N)cc1 ZINC001354669610 1056878160 /nfs/dbraw/zinc/87/81/60/1056878160.db2.gz FUOQSTGVAWVREO-HXUWFJFHSA-N 1 0 389.499 3.598 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001322888931 1056879476 /nfs/dbraw/zinc/87/94/76/1056879476.db2.gz IJBRZKMFFYSEPH-RTWAWAEBSA-N 1 0 383.467 3.635 20 30 GHEDRO N#Cc1ccc(Br)cc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC001472829093 1056928978 /nfs/dbraw/zinc/92/89/78/1056928978.db2.gz VWEXZJZIHFPLTK-UHFFFAOYSA-N 1 0 378.314 3.624 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(OCC#N)c1 ZINC001324056891 1057062282 /nfs/dbraw/zinc/06/22/82/1057062282.db2.gz MKPKPQSXKLTCQN-QGZVFWFLSA-N 1 0 391.471 3.534 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC2CCCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001355915202 1057313255 /nfs/dbraw/zinc/31/32/55/1057313255.db2.gz CAQRFIPZWWVOCF-HXUWFJFHSA-N 1 0 389.588 3.825 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 ZINC001326056290 1057405455 /nfs/dbraw/zinc/40/54/55/1057405455.db2.gz UJNUPCLKXBXKLC-UHFFFAOYSA-N 1 0 390.531 3.794 20 30 GHEDRO N#Cc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000848988928 1057492822 /nfs/dbraw/zinc/49/28/22/1057492822.db2.gz NDQRTOVIZNVEAO-UHFFFAOYSA-N 1 0 382.773 3.924 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001356578335 1057555392 /nfs/dbraw/zinc/55/53/92/1057555392.db2.gz MMZOJZLWKMOUGE-RTWAWAEBSA-N 1 0 396.583 3.820 20 30 GHEDRO CCCC[NH+]=C(NCC[C@@H]1c2ccccc2NC1=O)NCc1ccc(C)cc1 ZINC000849057722 1057568055 /nfs/dbraw/zinc/56/80/55/1057568055.db2.gz WJKGQGZZYVQVQF-HXUWFJFHSA-N 1 0 378.520 3.956 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001356619135 1057574876 /nfs/dbraw/zinc/57/48/76/1057574876.db2.gz XEYMDPJXEMEOSQ-CTNGQTDRSA-N 1 0 392.551 3.972 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@@H]2C1 ZINC001440196916 1058460923 /nfs/dbraw/zinc/46/09/23/1058460923.db2.gz IPARXOZYLQUFSW-BWAGFHJFSA-N 1 0 375.472 3.615 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(F)c4cccnc34)CC2)c1 ZINC001339060484 1058943270 /nfs/dbraw/zinc/94/32/70/1058943270.db2.gz NBXIJFDDGNDSPA-UHFFFAOYSA-N 1 0 388.446 3.640 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339140080 1058978454 /nfs/dbraw/zinc/97/84/54/1058978454.db2.gz MWQAGBAAGMXBAJ-OALUTQOASA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCn1c([C@H](O)CC2CCCCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001339155397 1058985739 /nfs/dbraw/zinc/98/57/39/1058985739.db2.gz PIFAKPSRIGFWJP-LJQANCHMSA-N 1 0 389.588 3.779 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001339232257 1059026571 /nfs/dbraw/zinc/02/65/71/1059026571.db2.gz AOZFXEPNUKIZIP-AEFFLSMTSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001339498355 1059256952 /nfs/dbraw/zinc/25/69/52/1059256952.db2.gz GBJDEMVMCOOITR-YJBOKZPZSA-N 1 0 396.495 3.546 20 30 GHEDRO C=CCn1c(Cc2ccc(Cl)s2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001339641259 1059363589 /nfs/dbraw/zinc/36/35/89/1059363589.db2.gz IHVMIFQCYJCKFT-UHFFFAOYSA-N 1 0 379.961 3.737 20 30 GHEDRO CCN(c1nnc(C(C)(C)CC#N)n1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001339752042 1059441528 /nfs/dbraw/zinc/44/15/28/1059441528.db2.gz INWNNPAMQSLQQM-IEBWSBKVSA-N 1 0 380.540 3.668 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001340124724 1059711230 /nfs/dbraw/zinc/71/12/30/1059711230.db2.gz WLGYJSKKAWWRCN-LEWJYISDSA-N 1 0 392.551 3.806 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001340345171 1059874681 /nfs/dbraw/zinc/87/46/81/1059874681.db2.gz BEQHTQBHTBBCBM-IBGZPJMESA-N 1 0 378.524 3.502 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001340397452 1059911625 /nfs/dbraw/zinc/91/16/25/1059911625.db2.gz DOPGKQMOIHMLHD-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO CCN(C(=O)/C=C/C(=O)c1ccc(C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001447364863 1059955819 /nfs/dbraw/zinc/95/58/19/1059955819.db2.gz ZRDZQYIJJVKPPJ-DGXIYAMASA-N 1 0 376.500 3.857 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CCCCC#N)n2Cc2ccccc2)[C@H](C)C1 ZINC001340626373 1060001676 /nfs/dbraw/zinc/00/16/76/1060001676.db2.gz HFFORJSSFNLMRZ-TZIWHRDSSA-N 1 0 394.567 3.729 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H](C/C=C\C)C1 ZINC001340778674 1060118833 /nfs/dbraw/zinc/11/88/33/1060118833.db2.gz VQVWNLHPZRVTRY-KRYAXWJUSA-N 1 0 399.583 3.963 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1(Sc2ccccc2)CC1 ZINC001341052496 1060357545 /nfs/dbraw/zinc/35/75/45/1060357545.db2.gz SPJXGOYNBHWEGI-UHFFFAOYSA-N 1 0 379.529 3.773 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)C1 ZINC001341145071 1060447649 /nfs/dbraw/zinc/44/76/49/1060447649.db2.gz LMOISPZTCMSLNA-PZJWPPBQSA-N 1 0 394.567 3.902 20 30 GHEDRO C=C(CCC(=O)OC)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449932263 1060485418 /nfs/dbraw/zinc/48/54/18/1060485418.db2.gz AALRJUIYRYERHD-QFIPXVFZSA-N 1 0 398.547 3.645 20 30 GHEDRO C=C[C@H](O)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC(=C)C ZINC001341977493 1060979682 /nfs/dbraw/zinc/97/96/82/1060979682.db2.gz IGSZOROMEJMUNG-JBACZVJFSA-N 1 0 395.551 3.563 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342151270 1061088906 /nfs/dbraw/zinc/08/89/06/1061088906.db2.gz ZPEUMAVLFPSAAQ-MOPGFXCFSA-N 1 0 389.588 3.837 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001342171783 1061103578 /nfs/dbraw/zinc/10/35/78/1061103578.db2.gz GOVZETPMKZGVNO-QHAWAJNXSA-N 1 0 390.535 3.582 20 30 GHEDRO Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc2c[nH+]cn21 ZINC001346065019 1061334750 /nfs/dbraw/zinc/33/47/50/1061334750.db2.gz MFWLGVAZKHFMCA-INIZCTEOSA-N 1 0 387.226 3.911 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001346496910 1061613154 /nfs/dbraw/zinc/61/31/54/1061613154.db2.gz YAZFKHAWUYPQDE-LJQANCHMSA-N 1 0 394.567 3.856 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361169568 1061681164 /nfs/dbraw/zinc/68/11/64/1061681164.db2.gz HFZMWFIBUNJCBD-PKOBYXMFSA-N 1 0 398.555 3.953 20 30 GHEDRO C=C(C)Cn1c([C@@H]2[C@H]3CCCO[C@H]32)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001346693189 1061797824 /nfs/dbraw/zinc/79/78/24/1061797824.db2.gz ZQDQMTCVILKPLA-VAMGGRTRSA-N 1 0 399.583 3.591 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3C#N)CC[C@@H]21 ZINC001454842359 1061944532 /nfs/dbraw/zinc/94/45/32/1061944532.db2.gz DUDLBGAQOPAZSS-MJGOQNOKSA-N 1 0 377.513 3.876 20 30 GHEDRO N#C[C@H]1CC[C@@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC001347247028 1062240273 /nfs/dbraw/zinc/24/02/73/1062240273.db2.gz VBFJTLHCCWWHJV-WSWWRLHASA-N 1 0 375.472 3.533 20 30 GHEDRO CC(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001347480888 1062417339 /nfs/dbraw/zinc/41/73/39/1062417339.db2.gz GTZJCLDYQFVTPS-PMACEKPBSA-N 1 0 384.572 3.654 20 30 GHEDRO C#CCN(C(=O)CCC(=O)c1ccc(CCCCC)cc1)C1CC[NH+](C)CC1 ZINC001456169207 1062524515 /nfs/dbraw/zinc/52/45/15/1062524515.db2.gz MISOESIQZMBPDR-UHFFFAOYSA-N 1 0 382.548 3.938 20 30 GHEDRO C[N@H+](CCCOc1ccccc1CNC(=O)c1cc(C#N)ccn1)C1CCCC1 ZINC001435351785 1062532984 /nfs/dbraw/zinc/53/29/84/1062532984.db2.gz KWXPRJJLICSTEN-UHFFFAOYSA-N 1 0 392.503 3.527 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC001435996131 1063074146 /nfs/dbraw/zinc/07/41/46/1063074146.db2.gz ZIZDIWXNBVCGHA-PGRDOPGGSA-N 1 0 379.504 3.598 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c2c1 ZINC001458106472 1063570024 /nfs/dbraw/zinc/57/00/24/1063570024.db2.gz GADVZQQSZAMNBG-HZPDHXFCSA-N 1 0 382.508 3.904 20 30 GHEDRO CCc1nnc(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c(C#N)c1CC ZINC001458173011 1063628014 /nfs/dbraw/zinc/62/80/14/1063628014.db2.gz IOTSFTGMJXBMKM-UHFFFAOYSA-N 1 0 385.556 3.699 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC001436848133 1063672469 /nfs/dbraw/zinc/67/24/69/1063672469.db2.gz TXBDNIZGHRYFEX-QHCPKHFHSA-N 1 0 391.515 3.625 20 30 GHEDRO N#Cc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC001437074598 1063755551 /nfs/dbraw/zinc/75/55/51/1063755551.db2.gz QFIXBMYXBCQYDM-RTBURBONSA-N 1 0 388.496 3.869 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(N)c2C#N)[NH+](C)C)cc1 ZINC001458414417 1063791252 /nfs/dbraw/zinc/79/12/52/1063791252.db2.gz JJDAJSCMCFCECM-IBGZPJMESA-N 1 0 383.452 3.551 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC(C)(C)c3cccc(C#N)c3)cc2)CC1 ZINC001437609629 1063906517 /nfs/dbraw/zinc/90/65/17/1063906517.db2.gz OZKPHVOMDBVZPG-UHFFFAOYSA-N 1 0 390.531 3.754 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1CC1CC1 ZINC001350482214 1064101744 /nfs/dbraw/zinc/10/17/44/1064101744.db2.gz OFLJKUHFWUSXMN-RXVVDRJESA-N 1 0 392.551 3.806 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc(Cc3ccc(C#N)cc3)n2C)CC1 ZINC001351063297 1064253969 /nfs/dbraw/zinc/25/39/69/1064253969.db2.gz UYDUDQJBBFZMOD-UHFFFAOYSA-N 1 0 392.551 3.512 20 30 GHEDRO C=C(C)[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O)c1ccc(F)c(F)c1 ZINC001459978884 1064316139 /nfs/dbraw/zinc/31/61/39/1064316139.db2.gz GHCQWUYGMWYZPS-WFXMLNOXSA-N 1 0 396.478 3.932 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC001463564248 1064464336 /nfs/dbraw/zinc/46/43/36/1064464336.db2.gz JYBNZLUNPDMXPU-GGAORHGYSA-N 1 0 391.515 3.721 20 30 GHEDRO C=CCn1c([C@H](O)CCCCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001351484949 1064473087 /nfs/dbraw/zinc/47/30/87/1064473087.db2.gz QEKNLCUCGWKBNM-GOSISDBHSA-N 1 0 375.561 3.533 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001351597308 1064526870 /nfs/dbraw/zinc/52/68/70/1064526870.db2.gz WMLPXVUIRACPMN-UHFFFAOYSA-N 1 0 384.572 3.791 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nnc1C(C)(C)CC#N ZINC001351839782 1064635492 /nfs/dbraw/zinc/63/54/92/1064635492.db2.gz IUKISTCKLLHCHZ-LJQANCHMSA-N 1 0 384.572 3.604 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)c1ccccc1Cl ZINC001463915506 1064715876 /nfs/dbraw/zinc/71/58/76/1064715876.db2.gz QXXOGKARNLOJOY-LJQANCHMSA-N 1 0 398.890 3.620 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@](C)(CC)C1 ZINC001352149618 1064885093 /nfs/dbraw/zinc/88/50/93/1064885093.db2.gz CHJHSFLKONTNEX-SIKLNZKXSA-N 1 0 387.572 3.797 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(SC(F)(F)F)o1 ZINC001464606185 1065107532 /nfs/dbraw/zinc/10/75/32/1065107532.db2.gz SBQSPZBIWQOYPI-UHFFFAOYSA-N 1 0 397.422 3.967 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001464645737 1065133470 /nfs/dbraw/zinc/13/34/70/1065133470.db2.gz YIMPHZUZRDBVCO-UHFFFAOYSA-N 1 0 382.414 3.522 20 30 GHEDRO O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001464665200 1065145288 /nfs/dbraw/zinc/14/52/88/1065145288.db2.gz JFDNBVFAMUXTAL-SDNWHVSQSA-N 1 0 394.490 3.575 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCc1ccc(OC)c(F)c1 ZINC001200088081 1065181139 /nfs/dbraw/zinc/18/11/39/1065181139.db2.gz IZFVXBYXAIKYBH-UHFFFAOYSA-N 1 0 392.268 3.941 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000847412447 1065246619 /nfs/dbraw/zinc/24/66/19/1065246619.db2.gz QUHOBBKNDFACBF-QGZVFWFLSA-N 1 0 397.479 3.992 20 30 GHEDRO Cc1ccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c(C[NH+](C)C)c1 ZINC000847494738 1065453935 /nfs/dbraw/zinc/45/39/35/1065453935.db2.gz JBJXRMYTNNUDIG-UHFFFAOYSA-N 1 0 399.535 3.646 20 30 GHEDRO CCCCCCCCCCNC(=S)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001200211449 1065597418 /nfs/dbraw/zinc/59/74/18/1065597418.db2.gz ORSXDGCSHIZSHB-VQTJNVASSA-N 1 0 382.662 3.712 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC[NH+]1CCC(C)CC1 ZINC001492557709 1065670335 /nfs/dbraw/zinc/67/03/35/1065670335.db2.gz UBBFFZJKRQJWLN-SFHVURJKSA-N 1 0 380.540 3.581 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001465730333 1065816203 /nfs/dbraw/zinc/81/62/03/1065816203.db2.gz QFEHEXSQMDXXTA-QGZVFWFLSA-N 1 0 379.464 3.551 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300313220 1065972397 /nfs/dbraw/zinc/97/23/97/1065972397.db2.gz DINVDTIRHOBEIA-OALUTQOASA-N 1 0 397.542 3.588 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001300328160 1065995601 /nfs/dbraw/zinc/99/56/01/1065995601.db2.gz HRUIESGXILLHQR-CMKODMSKSA-N 1 0 395.551 3.717 20 30 GHEDRO CCOc1ccc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000847746055 1066016813 /nfs/dbraw/zinc/01/68/13/1066016813.db2.gz XAEINJWXGXBXNW-UHFFFAOYSA-N 1 0 392.499 3.977 20 30 GHEDRO C[C@@H](Oc1ccc(F)cc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746101 1066017837 /nfs/dbraw/zinc/01/78/37/1066017837.db2.gz YTGQWDMOONJVMQ-GOSISDBHSA-N 1 0 396.462 3.942 20 30 GHEDRO N#CC1(COC(=O)C(F)(F)c2nccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000847746179 1066019179 /nfs/dbraw/zinc/01/91/79/1066019179.db2.gz AAFFZHLBLBEEAT-UHFFFAOYSA-N 1 0 391.443 3.584 20 30 GHEDRO N#CC1(COC(=O)[C@H]2CCc3ccccc3O2)CC[NH+](Cc2ccccc2)CC1 ZINC000847747247 1066023213 /nfs/dbraw/zinc/02/32/13/1066023213.db2.gz ZXUUIQGPNXVRBP-JOCHJYFZSA-N 1 0 390.483 3.729 20 30 GHEDRO C#CCCCn1c(-c2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001300399855 1066220901 /nfs/dbraw/zinc/22/09/01/1066220901.db2.gz ROOSYLBFAFXXLG-UHFFFAOYSA-N 1 0 377.536 3.813 20 30 GHEDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC001467167911 1067115359 /nfs/dbraw/zinc/11/53/59/1067115359.db2.gz NHCZFOUALVFYTJ-JXFKEZNVSA-N 1 0 378.476 3.741 20 30 GHEDRO CCCc1c(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cnn1-c1cccc(C#N)c1 ZINC001467253251 1067181112 /nfs/dbraw/zinc/18/11/12/1067181112.db2.gz KOUZTXKKMCFPJY-OAQYLSRUSA-N 1 0 379.508 3.755 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CC3(CC([NH3+])C3)C2)cc1 ZINC001357792156 1067275519 /nfs/dbraw/zinc/27/55/19/1067275519.db2.gz SYWRICKHQVFNGE-UHFFFAOYSA-N 1 0 392.478 3.679 20 30 GHEDRO C=C1CCC(CNC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC001467649140 1067401258 /nfs/dbraw/zinc/40/12/58/1067401258.db2.gz ZLEIGRRIRUZUOL-UHFFFAOYSA-N 1 0 384.568 3.553 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001473548300 1067566532 /nfs/dbraw/zinc/56/65/32/1067566532.db2.gz VYXIPICJIOYDNI-YQORSWRPSA-N 1 0 396.579 3.512 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001358877338 1067591194 /nfs/dbraw/zinc/59/11/94/1067591194.db2.gz BUTFWROLRRCFMB-UTKZUKDTSA-N 1 0 392.551 3.641 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358879745 1067592493 /nfs/dbraw/zinc/59/24/93/1067592493.db2.gz XVYXXISHWGZGEL-IAGOWNOFSA-N 1 0 383.540 3.815 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CC1([NH+](C)C)CCCCC1 ZINC001358882758 1067594098 /nfs/dbraw/zinc/59/40/98/1067594098.db2.gz HHZIOYDKRPHBGX-IBGZPJMESA-N 1 0 379.552 3.976 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001358891907 1067599006 /nfs/dbraw/zinc/59/90/06/1067599006.db2.gz OTUULJGDBCIOGI-UXHICEINSA-N 1 0 381.568 3.845 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001358893905 1067601178 /nfs/dbraw/zinc/60/11/78/1067601178.db2.gz DUWMOVYCXBTOFU-SFHVURJKSA-N 1 0 391.563 3.525 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001358895863 1067602581 /nfs/dbraw/zinc/60/25/81/1067602581.db2.gz SGDGXPTUIHOQHU-HXUWFJFHSA-N 1 0 385.600 3.981 20 30 GHEDRO C#CCCCCn1c(CC)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001358913043 1067610179 /nfs/dbraw/zinc/61/01/79/1067610179.db2.gz DRQSSLPUUROIIR-IBGZPJMESA-N 1 0 395.551 3.536 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358993992 1067639631 /nfs/dbraw/zinc/63/96/31/1067639631.db2.gz BGESVMYFCCCVAH-HXUWFJFHSA-N 1 0 397.611 3.840 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359011679 1067652315 /nfs/dbraw/zinc/65/23/15/1067652315.db2.gz HPDJVYHEGVAJKD-SFHVURJKSA-N 1 0 385.581 3.510 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCC1CC[NH+](CC)CC1 ZINC001359112536 1067691197 /nfs/dbraw/zinc/69/11/97/1067691197.db2.gz MHBCCTQXRVDCAL-FQEVSTJZSA-N 1 0 389.588 3.697 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359114929 1067693688 /nfs/dbraw/zinc/69/36/88/1067693688.db2.gz FCSGWGDFWKZETP-FQEVSTJZSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359134142 1067702057 /nfs/dbraw/zinc/70/20/57/1067702057.db2.gz LMMDZGPTTLRNOB-IBGZPJMESA-N 1 0 389.588 3.524 20 30 GHEDRO C=C(Cn1c(C(C)C)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001359138192 1067704194 /nfs/dbraw/zinc/70/41/94/1067704194.db2.gz MHTROHRAOCQSNQ-UHFFFAOYSA-N 1 0 397.567 3.662 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001359166996 1067720807 /nfs/dbraw/zinc/72/08/07/1067720807.db2.gz PRCHWDOXKANARZ-GOSISDBHSA-N 1 0 397.548 3.983 20 30 GHEDRO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001468478853 1067746293 /nfs/dbraw/zinc/74/62/93/1067746293.db2.gz OIBPWPJKCFNFQM-SIKLNZKXSA-N 1 0 382.548 3.856 20 30 GHEDRO C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001359204553 1067775506 /nfs/dbraw/zinc/77/55/06/1067775506.db2.gz TYKWUFSMHZRMIG-IBGZPJMESA-N 1 0 397.567 3.764 20 30 GHEDRO C=CCCCn1c(C(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001359208499 1067781230 /nfs/dbraw/zinc/78/12/30/1067781230.db2.gz NDOHLZPVDWBOBE-AZUAARDMSA-N 1 0 399.587 3.621 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000849284901 1067786354 /nfs/dbraw/zinc/78/63/54/1067786354.db2.gz OONSRZYAPBUABK-UHFFFAOYSA-N 1 0 399.951 3.805 20 30 GHEDRO C=CCN(C)c1nnc(CCCc2ccccc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001359243569 1067855762 /nfs/dbraw/zinc/85/57/62/1067855762.db2.gz VXHHAXMEZRJCAA-UHFFFAOYSA-N 1 0 393.579 3.950 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC001359248975 1067895458 /nfs/dbraw/zinc/89/54/58/1067895458.db2.gz JQAWFQKAPIYZCR-IBGZPJMESA-N 1 0 396.583 3.951 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001359249469 1067897620 /nfs/dbraw/zinc/89/76/20/1067897620.db2.gz BZAJLVYKKFUFJV-IBGZPJMESA-N 1 0 380.540 3.678 20 30 GHEDRO C=CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC001359249569 1067897854 /nfs/dbraw/zinc/89/78/54/1067897854.db2.gz IFWHYCCKBUNQPN-HXUWFJFHSA-N 1 0 382.556 3.939 20 30 GHEDRO C#CCC1(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC001468832994 1067904327 /nfs/dbraw/zinc/90/43/27/1067904327.db2.gz BGPOWQRKPZJTHF-QGZVFWFLSA-N 1 0 379.426 3.525 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC=CCC1)C(C)C ZINC001359265609 1067929000 /nfs/dbraw/zinc/92/90/00/1067929000.db2.gz JBDDPSLEMUXMBS-NHCUHLMSSA-N 1 0 399.583 3.637 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359289825 1067986266 /nfs/dbraw/zinc/98/62/66/1067986266.db2.gz NQTOTUWASPKIEB-UHFFFAOYSA-N 1 0 383.540 3.526 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359322400 1068031473 /nfs/dbraw/zinc/03/14/73/1068031473.db2.gz VCPQNKFMHZWLSZ-IBGZPJMESA-N 1 0 389.588 3.522 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C#N)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001359795843 1068193199 /nfs/dbraw/zinc/19/31/99/1068193199.db2.gz QBPJUJYDWGVYMI-UHFFFAOYSA-N 1 0 394.567 3.739 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001469617231 1068262247 /nfs/dbraw/zinc/26/22/47/1068262247.db2.gz CNEICAQQDXNGLU-MJGOQNOKSA-N 1 0 395.469 3.986 20 30 GHEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1CC1([NH+](C)C)CCC1 ZINC001359926951 1068263464 /nfs/dbraw/zinc/26/34/64/1068263464.db2.gz IQUBQPDHMQNTTQ-UHFFFAOYSA-N 1 0 395.555 3.591 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001360097983 1068355786 /nfs/dbraw/zinc/35/57/86/1068355786.db2.gz FXKHWXIXWZFBMC-TZIWHRDSSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC001360460447 1068514149 /nfs/dbraw/zinc/51/41/49/1068514149.db2.gz ZHGYLXDCYIBYIM-QAPCUYQASA-N 1 0 382.895 3.732 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001360477842 1068524740 /nfs/dbraw/zinc/52/47/40/1068524740.db2.gz BXZPGSICJGUFEI-MJGOQNOKSA-N 1 0 382.556 3.908 20 30 GHEDRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(C#N)cc1)[N@H+](C)C1CC1 ZINC001360568078 1068563912 /nfs/dbraw/zinc/56/39/12/1068563912.db2.gz BJHVPBHXSUWURA-KRWDZBQOSA-N 1 0 394.567 3.857 20 30 GHEDRO CC(C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360592572 1068574570 /nfs/dbraw/zinc/57/45/70/1068574570.db2.gz XYJJMFSHHQXRIT-GOSISDBHSA-N 1 0 380.540 3.641 20 30 GHEDRO C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)C1 ZINC001360785302 1068627958 /nfs/dbraw/zinc/62/79/58/1068627958.db2.gz SXFQUEYWJNIWGK-JOCHJYFZSA-N 1 0 384.572 3.942 20 30 GHEDRO CC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001360813792 1068643244 /nfs/dbraw/zinc/64/32/44/1068643244.db2.gz BIRUXTGTTGLWET-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001470254501 1068649153 /nfs/dbraw/zinc/64/91/53/1068649153.db2.gz ZRMHZDBACVZUIJ-QFIPXVFZSA-N 1 0 391.515 3.505 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](O)c1ccccc1 ZINC001460085380 1068772010 /nfs/dbraw/zinc/77/20/10/1068772010.db2.gz NOCQWQRJXRDTCG-PNHOKKKMSA-N 1 0 385.895 3.886 20 30 GHEDRO Cc1ccccc1[C@@H](C)[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC(C)C ZINC001460088595 1068776114 /nfs/dbraw/zinc/77/61/14/1068776114.db2.gz KJDXCSTVLKLLAU-FYYLOGMGSA-N 1 0 398.595 3.706 20 30 GHEDRO C=CCCCC[N@@H+](CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460452142 1068968771 /nfs/dbraw/zinc/96/87/71/1068968771.db2.gz SIPHQUIFCNXWEP-GOSISDBHSA-N 1 0 381.561 3.523 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)COc2cccc(C#N)c2)[NH+](CC)CC)cc1 ZINC001460556135 1068995358 /nfs/dbraw/zinc/99/53/58/1068995358.db2.gz NNFMXKJPPFJURP-JOCHJYFZSA-N 1 0 379.504 3.699 20 30 GHEDRO C[C@]12CN(Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001460633852 1069043814 /nfs/dbraw/zinc/04/38/14/1069043814.db2.gz AEIDNCGMMJFULH-GOTSBHOMSA-N 1 0 390.487 3.810 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001460680839 1069081522 /nfs/dbraw/zinc/08/15/22/1069081522.db2.gz LHSALGDUQVQMHK-HXUWFJFHSA-N 1 0 377.488 3.599 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]1CCCOC1 ZINC001460688253 1069086604 /nfs/dbraw/zinc/08/66/04/1069086604.db2.gz JFNGJZAWVPYJRA-GHTZIAJQSA-N 1 0 394.519 3.699 20 30 GHEDRO COc1ccc(C[C@@](C)(CO)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001460855966 1069228178 /nfs/dbraw/zinc/22/81/78/1069228178.db2.gz DUTFXSMHZSCILF-FQEVSTJZSA-N 1 0 377.406 3.649 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001470490374 1072586684 /nfs/dbraw/zinc/58/66/84/1072586684.db2.gz GKWREFWFBODNSJ-JOCHJYFZSA-N 1 0 375.516 3.701 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001470879172 1072786946 /nfs/dbraw/zinc/78/69/46/1072786946.db2.gz LRUXBLUPYUSCIY-NRFANRHFSA-N 1 0 379.504 3.667 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc1F ZINC001478823238 1078995932 /nfs/dbraw/zinc/99/59/32/1078995932.db2.gz RNCXMYWUXOWVDL-OAQYLSRUSA-N 1 0 394.494 3.941 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001546184169 1072912100 /nfs/dbraw/zinc/91/21/00/1072912100.db2.gz XBJLLIGJYWLDEP-KRWDZBQOSA-N 1 0 380.540 3.588 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1)CC1CC1 ZINC001471143388 1072939971 /nfs/dbraw/zinc/93/99/71/1072939971.db2.gz HKEFGESIPMKPSX-QHCPKHFHSA-N 1 0 394.563 3.569 20 30 GHEDRO C=CCCSCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001478935789 1079031610 /nfs/dbraw/zinc/03/16/10/1079031610.db2.gz BFEHXMOMQYZHGL-HXUWFJFHSA-N 1 0 387.593 3.897 20 30 GHEDRO C#CC[C@H](CCOC)NC(=O)N(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001479061713 1079088497 /nfs/dbraw/zinc/08/84/97/1079088497.db2.gz JKHNLQOMGXQXKM-YADHBBJMSA-N 1 0 385.552 3.501 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c(N)c2C#N)C1 ZINC001472656314 1073599390 /nfs/dbraw/zinc/59/93/90/1073599390.db2.gz ODBZQHNIWRWRRF-OAHLLOKOSA-N 1 0 379.464 3.893 20 30 GHEDRO CCc1nnc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)c(C#N)c1CC ZINC001472744296 1073646610 /nfs/dbraw/zinc/64/66/10/1073646610.db2.gz MCCDJIVSIRBUAS-UHFFFAOYSA-N 1 0 393.535 3.602 20 30 GHEDRO CC(C)[C@@H]1CN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001472831225 1073685248 /nfs/dbraw/zinc/68/52/48/1073685248.db2.gz JIIWHTYJMKEIQS-NRFANRHFSA-N 1 0 382.439 3.952 20 30 GHEDRO C=C1CCC(CNC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC001479258635 1079167616 /nfs/dbraw/zinc/16/76/16/1079167616.db2.gz UNTYWHXBDJECCU-UHFFFAOYSA-N 1 0 390.616 3.571 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1C#N ZINC001479276122 1079170867 /nfs/dbraw/zinc/17/08/67/1079170867.db2.gz NEWCZRIPLWDYHV-YADHBBJMSA-N 1 0 385.471 3.791 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1C#N ZINC001479276118 1079171030 /nfs/dbraw/zinc/17/10/30/1079171030.db2.gz NEWCZRIPLWDYHV-FGZHOGPDSA-N 1 0 385.471 3.791 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCS[C@@H](C)CC3)sc2C1 ZINC001473381670 1073942198 /nfs/dbraw/zinc/94/21/98/1073942198.db2.gz VBAFRHNJVCJYGW-KGLIPLIRSA-N 1 0 377.579 3.901 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCCC[C@H]2COC(=O)N2CCCCC2)c1 ZINC001473449872 1073969210 /nfs/dbraw/zinc/96/92/10/1073969210.db2.gz TVKFCNNPJZSGTD-FQEVSTJZSA-N 1 0 385.508 3.804 20 30 GHEDRO CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCC[N@H+](C)Cc1ccco1 ZINC001473452397 1073970617 /nfs/dbraw/zinc/97/06/17/1073970617.db2.gz WCTYNUIIBWHXKP-UHFFFAOYSA-N 1 0 380.410 3.984 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2)c1 ZINC001473466132 1073979259 /nfs/dbraw/zinc/97/92/59/1073979259.db2.gz YZCDIWJWUDGSBW-UTKZUKDTSA-N 1 0 375.472 3.789 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(Cc3nc(CC)cs3)CC2)cc1 ZINC001473594812 1074038285 /nfs/dbraw/zinc/03/82/85/1074038285.db2.gz XOWVYUNTUBQEOP-UHFFFAOYSA-N 1 0 381.545 3.970 20 30 GHEDRO COc1cc(C#N)ccc1CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718554 1074105138 /nfs/dbraw/zinc/10/51/38/1074105138.db2.gz MNIUSZVCDNGESI-ZEQRLZLVSA-N 1 0 375.516 3.911 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473731431 1074113856 /nfs/dbraw/zinc/11/38/56/1074113856.db2.gz BXRYXFNQEFZTDN-GOSISDBHSA-N 1 0 379.287 3.779 20 30 GHEDRO C#CCC1([NH2+]CC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CCC1 ZINC001473819535 1074159363 /nfs/dbraw/zinc/15/93/63/1074159363.db2.gz IIRAUUFPKUHHQZ-QFIPXVFZSA-N 1 0 396.556 3.940 20 30 GHEDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)cc1Br ZINC001473839710 1074168765 /nfs/dbraw/zinc/16/87/65/1074168765.db2.gz HQZDRDXAJHWNEU-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC001473849011 1074173692 /nfs/dbraw/zinc/17/36/92/1074173692.db2.gz YHEPHOUFNYXSRU-QFIPXVFZSA-N 1 0 388.508 3.780 20 30 GHEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001473862416 1074179759 /nfs/dbraw/zinc/17/97/59/1074179759.db2.gz ZNCYIRGAFVQMAY-ZDUSSCGKSA-N 1 0 383.414 3.667 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001473934366 1074209706 /nfs/dbraw/zinc/20/97/06/1074209706.db2.gz XLVCKSVNFLEPSN-IBGZPJMESA-N 1 0 397.950 3.652 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001473935644 1074210633 /nfs/dbraw/zinc/21/06/33/1074210633.db2.gz MTYGUTMIYRPNKV-IRXDYDNUSA-N 1 0 393.369 3.919 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC001474109086 1074266322 /nfs/dbraw/zinc/26/63/22/1074266322.db2.gz NIQPREGZUSZUSE-UHFFFAOYSA-N 1 0 379.439 3.536 20 30 GHEDRO C#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC001474150203 1074277956 /nfs/dbraw/zinc/27/79/56/1074277956.db2.gz CCEBMRFVBYKSIY-INIZCTEOSA-N 1 0 376.269 3.510 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)cc1 ZINC001474151702 1074278239 /nfs/dbraw/zinc/27/82/39/1074278239.db2.gz XCEHYYUNETUXDB-UHFFFAOYSA-N 1 0 388.467 3.971 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC001474244012 1074307373 /nfs/dbraw/zinc/30/73/73/1074307373.db2.gz BLYRBZIXOGJLEE-SFHVURJKSA-N 1 0 393.288 3.968 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1OCC ZINC001474273740 1074320661 /nfs/dbraw/zinc/32/06/61/1074320661.db2.gz HJRUMABISYTXHU-XJKSGUPXSA-N 1 0 383.330 3.595 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC001474487339 1074428300 /nfs/dbraw/zinc/42/83/00/1074428300.db2.gz MBDCETPAIXXKJS-UHFFFAOYSA-N 1 0 384.911 3.964 20 30 GHEDRO C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@H](O)c1cccc(C#N)c1 ZINC001474616191 1074485902 /nfs/dbraw/zinc/48/59/02/1074485902.db2.gz JWNAOUMOSGRSQE-INIZCTEOSA-N 1 0 395.684 3.845 20 30 GHEDRO CC1(C)OCc2cc(C[N@@H+]3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccc2O1 ZINC001474717101 1074531884 /nfs/dbraw/zinc/53/18/84/1074531884.db2.gz GGTWXNVSRMFQHJ-IBGZPJMESA-N 1 0 378.476 3.675 20 30 GHEDRO C[C@H](Cn1c(N(CCC#N)CC2CC2)nnc1C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC001493712609 1079288938 /nfs/dbraw/zinc/28/89/38/1079288938.db2.gz JMEUSKLCTHEVBB-ZWKOTPCHSA-N 1 0 386.588 3.826 20 30 GHEDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC001474832180 1074584685 /nfs/dbraw/zinc/58/46/85/1074584685.db2.gz HWNKMNOMZDTRNG-KRWDZBQOSA-N 1 0 397.544 3.577 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001493740746 1079291037 /nfs/dbraw/zinc/29/10/37/1079291037.db2.gz PZYJRHUGXVHAET-LJQANCHMSA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001493845300 1079303518 /nfs/dbraw/zinc/30/35/18/1079303518.db2.gz KRFHKHPGAFBTRA-CVEARBPZSA-N 1 0 386.931 3.821 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001476223584 1075106006 /nfs/dbraw/zinc/10/60/06/1075106006.db2.gz CJDVULSLAIIKOH-GOSISDBHSA-N 1 0 389.858 3.916 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(OCc2cccc(OC)c2)c1C ZINC001476291816 1075117484 /nfs/dbraw/zinc/11/74/84/1075117484.db2.gz ULWSAQZWRWXPHX-UHFFFAOYSA-N 1 0 395.503 3.659 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001495451225 1079409283 /nfs/dbraw/zinc/40/92/83/1079409283.db2.gz AFEIPMFKXQHREK-BBTUJRGHSA-N 1 0 390.551 3.602 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001496005501 1079446623 /nfs/dbraw/zinc/44/66/23/1079446623.db2.gz VXHFHEGKYSNJEL-QZTJIDSGSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[C@@H](c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001496420527 1079469229 /nfs/dbraw/zinc/46/92/29/1079469229.db2.gz DZPQKVXJQVLJPD-KKLQWCBXSA-N 1 0 394.567 3.900 20 30 GHEDRO CC[C@@H](c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001496420526 1079469355 /nfs/dbraw/zinc/46/93/55/1079469355.db2.gz DZPQKVXJQVLJPD-JXHRLWIKSA-N 1 0 394.567 3.900 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414028 718880155 /nfs/dbraw/zinc/88/01/55/718880155.db2.gz POOVXRYRHBVFIW-GFCCVEGCSA-N 1 0 394.775 3.805 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725919 720407053 /nfs/dbraw/zinc/40/70/53/720407053.db2.gz OEGLNBSEIZOYQO-SFTDATJTSA-N 1 0 376.580 3.559 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726357 720443750 /nfs/dbraw/zinc/44/37/50/720443750.db2.gz BTOASTINUCTJJQ-VQTJNVASSA-N 1 0 387.512 3.930 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C#C[Si](C)(C)C)[C@H]2C ZINC001164858129 720979351 /nfs/dbraw/zinc/97/93/51/720979351.db2.gz HLYWPEWQQDPTDG-SFHVURJKSA-N 1 0 395.627 3.928 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164793210 721489350 /nfs/dbraw/zinc/48/93/50/721489350.db2.gz PPKMRYJJQXYWIY-UHFFFAOYSA-N 1 0 381.911 3.883 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)cc(C#N)n3)C[C@@H]21 ZINC001165023572 721809148 /nfs/dbraw/zinc/80/91/48/721809148.db2.gz HYBDJPZRDJRDQX-RYGJVYDSSA-N 1 0 381.911 3.739 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)cc(C#N)n3)C[C@H]21 ZINC001165023568 721809203 /nfs/dbraw/zinc/80/92/03/721809203.db2.gz HYBDJPZRDJRDQX-CDHQVMDDSA-N 1 0 381.911 3.739 20 30 GHEDRO N#Cc1cc(N2CC[NH+](CCc3ccccn3)CC2)nc2ccc(Cl)cc12 ZINC001165056197 722019357 /nfs/dbraw/zinc/01/93/57/722019357.db2.gz ZOTNDBZTXNKHER-UHFFFAOYSA-N 1 0 377.879 3.520 20 30 GHEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC3)c2c1 ZINC000066436740 837409380 /nfs/dbraw/zinc/40/93/80/837409380.db2.gz CCDGDTKRDXUWBK-WAIKUNEKSA-N 1 0 396.535 3.799 20 30 GHEDRO Cc1csc(C2([NH2+]CCC(=O)Nc3sc4c(c3C#N)CCC4)CCC2)n1 ZINC000581177269 837472653 /nfs/dbraw/zinc/47/26/53/837472653.db2.gz FWZYMSPATMYGLD-UHFFFAOYSA-N 1 0 386.546 3.871 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC)cc3C(F)(F)F)C2)C1=O ZINC001143475541 837486312 /nfs/dbraw/zinc/48/63/12/837486312.db2.gz IINXYENXZQMYEU-LJQANCHMSA-N 1 0 382.426 3.715 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc(C#N)c1 ZINC000176715934 837510625 /nfs/dbraw/zinc/51/06/25/837510625.db2.gz KSXWTPKXMJPHAG-QHCPKHFHSA-N 1 0 391.515 3.794 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000180762885 837522695 /nfs/dbraw/zinc/52/26/95/837522695.db2.gz NMZGACQFUPUVLP-IUODEOHRSA-N 1 0 376.806 3.632 20 30 GHEDRO CN(CCC#N)C[C@H](O)CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000414104446 837554394 /nfs/dbraw/zinc/55/43/94/837554394.db2.gz YWQMNTQJDRBYKQ-KRWDZBQOSA-N 1 0 378.501 3.595 20 30 GHEDRO COCC[N@H+]([C@@H](C)c1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581647287 837557291 /nfs/dbraw/zinc/55/72/91/837557291.db2.gz YAOJRZHZTKHUTG-PGRDOPGGSA-N 1 0 377.488 3.763 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCO1 ZINC000126842448 834535043 /nfs/dbraw/zinc/53/50/43/834535043.db2.gz XHZHTRDGEKWWLJ-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO C=CCCC[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000584428643 834579600 /nfs/dbraw/zinc/57/96/00/834579600.db2.gz JDMALLHHYOWYRX-GOSISDBHSA-N 1 0 387.549 3.676 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000246109745 834807561 /nfs/dbraw/zinc/80/75/61/834807561.db2.gz DSZMVDRUKFSODW-RBUKOAKNSA-N 1 0 398.551 3.721 20 30 GHEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000657791335 834992271 /nfs/dbraw/zinc/99/22/71/834992271.db2.gz KNLZEFVIRTZTEM-QGZVFWFLSA-N 1 0 392.293 3.673 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246937522 835064457 /nfs/dbraw/zinc/06/44/57/835064457.db2.gz UBBYJWBQQQUIQM-FXAWDEMLSA-N 1 0 385.577 3.852 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(-c2ccncc2)n1 ZINC000583868202 835174706 /nfs/dbraw/zinc/17/47/06/835174706.db2.gz ZPLLUVZOJPWTGY-QFIPXVFZSA-N 1 0 391.519 3.640 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000329523136 835176366 /nfs/dbraw/zinc/17/63/66/835176366.db2.gz RLTJJASJNZOREE-ROUUACIJSA-N 1 0 399.539 3.553 20 30 GHEDRO C=C(C)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C(C)C)c1 ZINC000512516667 844045890 /nfs/dbraw/zinc/04/58/90/844045890.db2.gz JUMCEJSKACJOBI-UHFFFAOYSA-N 1 0 385.468 3.779 20 30 GHEDRO [NH2+]=C(NCc1cccnc1-n1ccnc1)Nc1cccc(Oc2ccccc2)c1 ZINC000176966520 835400878 /nfs/dbraw/zinc/40/08/78/835400878.db2.gz WFIWGDONFWWMFL-UHFFFAOYSA-N 1 0 384.443 3.986 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000248087957 835403608 /nfs/dbraw/zinc/40/36/08/835403608.db2.gz SYXFMWINJUAMLN-NHCUHLMSSA-N 1 0 394.475 3.738 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3ccsc3)C2)c(F)c1 ZINC000547704352 835503586 /nfs/dbraw/zinc/50/35/86/835503586.db2.gz ANQXXKQJCVFXHD-KRWDZBQOSA-N 1 0 381.480 3.908 20 30 GHEDRO N#CC1(NC(=O)CN2CCN(c3cc[nH+]c4ccccc43)CC2)CCCCC1 ZINC000329640727 835505083 /nfs/dbraw/zinc/50/50/83/835505083.db2.gz ZMAJYICEFPZWNN-UHFFFAOYSA-N 1 0 377.492 3.540 20 30 GHEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)COCc1ccccc1 ZINC000278595036 835509746 /nfs/dbraw/zinc/50/97/46/835509746.db2.gz HIUZOSZHUKXBTB-LJQANCHMSA-N 1 0 389.503 3.801 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274828202 835668446 /nfs/dbraw/zinc/66/84/46/835668446.db2.gz LJCIGNNMDKOJTD-HZUJVAHNSA-N 1 0 394.519 3.595 20 30 GHEDRO CCC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccc(C#N)cc1 ZINC000052825962 835686069 /nfs/dbraw/zinc/68/60/69/835686069.db2.gz WBNRVTZRZBZWEV-JOCHJYFZSA-N 1 0 395.478 3.509 20 30 GHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000120437830 844088047 /nfs/dbraw/zinc/08/80/47/844088047.db2.gz VHKWWAXIFPGBOW-UHFFFAOYSA-N 1 0 389.908 3.503 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000179692176 835942416 /nfs/dbraw/zinc/94/24/16/835942416.db2.gz HFNRJXRKRFLGEV-QGZVFWFLSA-N 1 0 386.455 3.822 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC000584398490 835984462 /nfs/dbraw/zinc/98/44/62/835984462.db2.gz RVCBJGBJWONOBH-UHFFFAOYSA-N 1 0 384.911 3.617 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548912896 836072073 /nfs/dbraw/zinc/07/20/73/836072073.db2.gz ULLLUVOFWVPCEB-UHFFFAOYSA-N 1 0 397.567 3.908 20 30 GHEDRO CCN(CC)C(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000092592631 844123706 /nfs/dbraw/zinc/12/37/06/844123706.db2.gz TXRNWEDJJHAOID-UHFFFAOYSA-N 1 0 393.535 3.544 20 30 GHEDRO Cn1cc([C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cn1 ZINC000375898254 836148687 /nfs/dbraw/zinc/14/86/87/836148687.db2.gz QMEFSOJRNHKOTB-HSZRJFAPSA-N 1 0 389.478 3.779 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)CCCCOc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000134882607 836158519 /nfs/dbraw/zinc/15/85/19/836158519.db2.gz CLPLMSGFHRJJDA-KNQAVFIVSA-N 1 0 391.515 3.887 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000549702153 844133885 /nfs/dbraw/zinc/13/38/85/844133885.db2.gz JUTYLSXDMBFJSK-AZUAARDMSA-N 1 0 389.588 3.900 20 30 GHEDRO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930406 836254025 /nfs/dbraw/zinc/25/40/25/836254025.db2.gz ZYZFHSAOEXSTRF-KRWDZBQOSA-N 1 0 399.922 3.878 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000065931347 836255726 /nfs/dbraw/zinc/25/57/26/836255726.db2.gz KQIZWXCMMBRFMY-UHFFFAOYSA-N 1 0 391.393 3.661 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N(CC[NH+]3CCCC3)c3ccccc3)on2)c1 ZINC000582281028 836273198 /nfs/dbraw/zinc/27/31/98/836273198.db2.gz WPQPTJKBYCQLAC-UHFFFAOYSA-N 1 0 386.455 3.956 20 30 GHEDRO N#CCc1ccc(OCc2ccccc2NC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000511354028 836315849 /nfs/dbraw/zinc/31/58/49/836315849.db2.gz VAPGSJLIIXWTOA-UHFFFAOYSA-N 1 0 392.503 3.939 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000471969263 844152624 /nfs/dbraw/zinc/15/26/24/844152624.db2.gz RNRRUDOMWSPUES-PKTZIBPZSA-N 1 0 386.499 3.502 20 30 GHEDRO N#Cc1cc2c(nc1NC1CC[NH+](CCOc3ccc(F)cc3)CC1)CCC2 ZINC000433435604 844161630 /nfs/dbraw/zinc/16/16/30/844161630.db2.gz UODVEYPSKVTZOJ-UHFFFAOYSA-N 1 0 380.467 3.536 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@H]21 ZINC001209442155 836571585 /nfs/dbraw/zinc/57/15/85/836571585.db2.gz UURREELGGDCHGL-YPAWHYETSA-N 1 0 392.584 3.774 20 30 GHEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000548487926 844188938 /nfs/dbraw/zinc/18/89/38/844188938.db2.gz UYPBYPMGQPZTJI-ICSRJNTNSA-N 1 0 388.556 3.900 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000247085143 836765606 /nfs/dbraw/zinc/76/56/06/836765606.db2.gz ZSZWUFJZGJLRHR-BEFAXECRSA-N 1 0 386.496 3.641 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180029425 836779185 /nfs/dbraw/zinc/77/91/85/836779185.db2.gz CKBZPBTYSBOGDP-OAQYLSRUSA-N 1 0 389.503 3.869 20 30 GHEDRO Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1F ZINC001125324217 836789858 /nfs/dbraw/zinc/78/98/58/836789858.db2.gz YBMYYAUXGQUDQC-OAHLLOKOSA-N 1 0 376.435 3.687 20 30 GHEDRO CCCOc1cc(Nc2ccc(C#N)nc2)ccc1C(=O)OCC[NH+](CC)CC ZINC001209646050 836794602 /nfs/dbraw/zinc/79/46/02/836794602.db2.gz GAZIAXKRROTXDN-UHFFFAOYSA-N 1 0 396.491 3.984 20 30 GHEDRO CO[C@H](C)c1nc(CON=C(N)c2ccccc2C[NH+]2CCCCC2)cs1 ZINC000177571580 836798868 /nfs/dbraw/zinc/79/88/68/836798868.db2.gz XYESNBJAAGQVAE-OAHLLOKOSA-N 1 0 388.537 3.674 20 30 GHEDRO C#CC[N@@H+](CCOc1ccc(/C=C\C(=O)OC)cc1)[C@@H]1CCc2ccccc21 ZINC001167178969 836817040 /nfs/dbraw/zinc/81/70/40/836817040.db2.gz QMLHATMDESUJBS-IJFZUYQYSA-N 1 0 375.468 3.874 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000376117170 836941924 /nfs/dbraw/zinc/94/19/24/836941924.db2.gz QZPFWBXXONOFEL-OAHLLOKOSA-N 1 0 385.895 3.636 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180290524 836997872 /nfs/dbraw/zinc/99/78/72/836997872.db2.gz CWYIKHCUZPAQMA-GOSISDBHSA-N 1 0 393.441 3.605 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(N(C)C)cc1 ZINC000027058985 837024825 /nfs/dbraw/zinc/02/48/25/837024825.db2.gz LEEYGCDGBREHGQ-UHFFFAOYSA-O 1 0 394.564 3.633 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(SCC#N)c1 ZINC000175938512 837072326 /nfs/dbraw/zinc/07/23/26/837072326.db2.gz NBWCZGXZVMPYMJ-UHFFFAOYSA-N 1 0 389.471 3.784 20 30 GHEDRO Cc1cc(Cl)cc(-c2noc([C@@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)c1 ZINC001211641075 837106885 /nfs/dbraw/zinc/10/68/85/837106885.db2.gz WLOULXMTNZDHSK-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000472494198 837159217 /nfs/dbraw/zinc/15/92/17/837159217.db2.gz FDQMBRXPWKIAJC-QRVBRYPASA-N 1 0 391.515 3.598 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472494196 837159352 /nfs/dbraw/zinc/15/93/52/837159352.db2.gz FDQMBRXPWKIAJC-KCESLBEFSA-N 1 0 391.515 3.598 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181208684 837853515 /nfs/dbraw/zinc/85/35/15/837853515.db2.gz HIWKUMFQKUJSMG-BEFAXECRSA-N 1 0 383.879 3.908 20 30 GHEDRO CC(C)(CCc1ccccc1)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000177186935 837883295 /nfs/dbraw/zinc/88/32/95/837883295.db2.gz WPOIAYCFPJQSRD-UHFFFAOYSA-N 1 0 387.487 3.683 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)c(C#N)c1C ZINC000177262229 837898633 /nfs/dbraw/zinc/89/86/33/837898633.db2.gz NHRGTVMRDDUAJF-UHFFFAOYSA-N 1 0 388.581 3.763 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1C#N ZINC000177517794 837995030 /nfs/dbraw/zinc/99/50/30/837995030.db2.gz OJJZBSCMNAKEON-ROUUACIJSA-N 1 0 380.492 3.678 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000415807713 838124249 /nfs/dbraw/zinc/12/42/49/838124249.db2.gz RGFYFMYUSPWTMH-OCCSQVGLSA-N 1 0 382.302 3.605 20 30 GHEDRO CO[C@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@H](C[NH3+])C1 ZINC000415806097 838131470 /nfs/dbraw/zinc/13/14/70/838131470.db2.gz NSRJPIBYLKAUJD-ROUUACIJSA-N 1 0 396.516 3.679 20 30 GHEDRO CON=Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000255127275 838148377 /nfs/dbraw/zinc/14/83/77/838148377.db2.gz NTRBNYADMZZKTC-XZOQPEGZSA-N 1 0 391.515 3.794 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000067233297 844298520 /nfs/dbraw/zinc/29/85/20/844298520.db2.gz BLPKFTHGANKEBF-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000414443621 838249169 /nfs/dbraw/zinc/24/91/69/838249169.db2.gz NZZSTRZWXDVWDO-UHFFFAOYSA-N 1 0 378.451 3.840 20 30 GHEDRO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c(C)n1-c1ccc(C#N)cc1 ZINC000728269282 838360029 /nfs/dbraw/zinc/36/00/29/838360029.db2.gz GUHRCBFMCKUFDJ-UHFFFAOYSA-N 1 0 386.499 3.828 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589319512 838373770 /nfs/dbraw/zinc/37/37/70/838373770.db2.gz AQWCIROBPSCJCO-UHFFFAOYSA-N 1 0 387.221 3.619 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000178524080 838399207 /nfs/dbraw/zinc/39/92/07/838399207.db2.gz GAZOPEFXDGMOPM-UHFFFAOYSA-N 1 0 391.231 3.848 20 30 GHEDRO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376595791 838416344 /nfs/dbraw/zinc/41/63/44/838416344.db2.gz QWEFHXMYUWCZDK-LJQANCHMSA-N 1 0 379.504 3.502 20 30 GHEDRO Cc1cccc2nc(C3CC[NH+](C[C@@H](O)COc4ccc(C#N)cc4)CC3)oc21 ZINC000189810850 838419351 /nfs/dbraw/zinc/41/93/51/838419351.db2.gz KWOGUJNYOKLURU-LJQANCHMSA-N 1 0 391.471 3.627 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000584520558 838488790 /nfs/dbraw/zinc/48/87/90/838488790.db2.gz JUPSLDRIVDJOEN-OAHLLOKOSA-N 1 0 396.800 3.658 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000589742986 838525865 /nfs/dbraw/zinc/52/58/65/838525865.db2.gz QBUJAVVKECRUQQ-NMIHRBCNSA-N 1 0 383.536 3.585 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000048149546 844341439 /nfs/dbraw/zinc/34/14/39/844341439.db2.gz BUNLAWXWSLDQAF-NRFANRHFSA-N 1 0 394.519 3.807 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000610341117 838562489 /nfs/dbraw/zinc/56/24/89/838562489.db2.gz BAQOOUFHNPUGGH-MSOLQXFVSA-N 1 0 395.503 3.998 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000103500228 838568625 /nfs/dbraw/zinc/56/86/25/838568625.db2.gz BNXDFPTZQQEAED-DLBZAZTESA-N 1 0 389.565 3.807 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000610346516 838583243 /nfs/dbraw/zinc/58/32/43/838583243.db2.gz VYBSCAFONDIEJN-CVEARBPZSA-N 1 0 385.895 3.788 20 30 GHEDRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610349032 838598217 /nfs/dbraw/zinc/59/82/17/838598217.db2.gz DXKPNFJALTWPKE-GOSISDBHSA-N 1 0 376.504 3.831 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613618818 838870404 /nfs/dbraw/zinc/87/04/04/838870404.db2.gz VBQKCXKOCADLSI-AEFFLSMTSA-N 1 0 382.430 3.643 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1Cl)Cc1ccc(F)cc1C ZINC000576399713 844383294 /nfs/dbraw/zinc/38/32/94/844383294.db2.gz RTNSALNJQIBEIN-PBHICJAKSA-N 1 0 387.886 3.915 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000048160783 844385730 /nfs/dbraw/zinc/38/57/30/844385730.db2.gz PQQMNBDJOBFMIA-UHFFFAOYSA-N 1 0 394.519 3.764 20 30 GHEDRO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000363830500 839140478 /nfs/dbraw/zinc/14/04/78/839140478.db2.gz XOQYECLEOIVYSR-YADHBBJMSA-N 1 0 384.568 3.504 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000415086520 839182970 /nfs/dbraw/zinc/18/29/70/839182970.db2.gz RTAKGNVUJYHOSY-UHFFFAOYSA-N 1 0 394.475 3.870 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000050108274 839184218 /nfs/dbraw/zinc/18/42/18/839184218.db2.gz MFRRZYFYPRCJCA-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415115319 839225010 /nfs/dbraw/zinc/22/50/10/839225010.db2.gz DNFYFMLJTDYLJD-QFBILLFUSA-N 1 0 378.476 3.708 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1C ZINC000378504281 839244620 /nfs/dbraw/zinc/24/46/20/839244620.db2.gz OXESSLWLEWAJIE-XUZZJYLKSA-N 1 0 391.515 3.918 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCC ZINC000415134919 839250986 /nfs/dbraw/zinc/25/09/86/839250986.db2.gz WKZQIMXMSVQWRZ-GDBMZVCRSA-N 1 0 397.357 3.829 20 30 GHEDRO C[C@@](CO)([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000511564748 839387850 /nfs/dbraw/zinc/38/78/50/839387850.db2.gz HACXTPXEBLJBCG-SFHVURJKSA-N 1 0 378.697 3.951 20 30 GHEDRO N#Cc1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1C(F)(F)F ZINC000415214233 839394654 /nfs/dbraw/zinc/39/46/54/839394654.db2.gz PENSJGODOFTSOS-UHFFFAOYSA-N 1 0 376.382 3.960 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1=S ZINC000173513329 839414339 /nfs/dbraw/zinc/41/43/39/839414339.db2.gz VMVGWTHQRLJMAV-IBGZPJMESA-N 1 0 397.592 3.889 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000415244742 839468659 /nfs/dbraw/zinc/46/86/59/839468659.db2.gz YNSMKVVHBLEOTE-OAQYLSRUSA-N 1 0 380.423 3.707 20 30 GHEDRO C[NH+](C)CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCC1 ZINC000053153154 839553668 /nfs/dbraw/zinc/55/36/68/839553668.db2.gz XWCZDTWSEUIPDM-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO COc1cccc([C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)c1 ZINC000122528073 839680467 /nfs/dbraw/zinc/68/04/67/839680467.db2.gz QPVDWKWRCIPJML-FQEVSTJZSA-N 1 0 383.879 3.787 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377537369 839686005 /nfs/dbraw/zinc/68/60/05/839686005.db2.gz JJMKXAOQVDFXJG-TUNNFDKTSA-N 1 0 394.519 3.558 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000644612815 839871533 /nfs/dbraw/zinc/87/15/33/839871533.db2.gz ARZGZUYKNZMBRR-UHFFFAOYSA-N 1 0 387.531 3.572 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000549296414 839890433 /nfs/dbraw/zinc/89/04/33/839890433.db2.gz DPZRTDXRHOGYDM-HXUWFJFHSA-N 1 0 390.535 3.846 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000418397980 840126527 /nfs/dbraw/zinc/12/65/27/840126527.db2.gz CMEMNDMVFYDNCN-RBBKRZOGSA-N 1 0 394.494 3.927 20 30 GHEDRO CC[N@@H+]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000511604228 840467281 /nfs/dbraw/zinc/46/72/81/840467281.db2.gz DUQUQBMZVKMNTO-GOSISDBHSA-N 1 0 379.504 3.672 20 30 GHEDRO Cc1cc(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)c(C#N)cc1N(C)C ZINC000417155551 840513459 /nfs/dbraw/zinc/51/34/59/840513459.db2.gz LLTFDSGWUUEKRM-UHFFFAOYSA-N 1 0 383.496 3.512 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418563858 840578694 /nfs/dbraw/zinc/57/86/94/840578694.db2.gz IOFZPSABTCWVCE-LPHOPBHVSA-N 1 0 391.487 3.870 20 30 GHEDRO [NH2+]=C(NCCc1csc(N2CCCC2)n1)Nc1ccccc1OC(F)(F)F ZINC000160733863 840613009 /nfs/dbraw/zinc/61/30/09/840613009.db2.gz BREQADXYOAYNSW-UHFFFAOYSA-N 1 0 399.442 3.611 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000651543609 840655399 /nfs/dbraw/zinc/65/53/99/840655399.db2.gz RJZLUYZDIWWJBN-NHCUHLMSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000651543608 840655896 /nfs/dbraw/zinc/65/58/96/840655896.db2.gz RJZLUYZDIWWJBN-LEWJYISDSA-N 1 0 395.551 3.807 20 30 GHEDRO C[N@H+](CCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160751734 840669450 /nfs/dbraw/zinc/66/94/50/840669450.db2.gz YLKBSDPTHLMDGC-DFNIBXOVSA-N 1 0 385.508 3.799 20 30 GHEDRO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1C ZINC000511765899 840691583 /nfs/dbraw/zinc/69/15/83/840691583.db2.gz XZECGVGAWSHHOP-XPWALMASSA-N 1 0 378.516 3.978 20 30 GHEDRO N#Cc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000511771278 840698062 /nfs/dbraw/zinc/69/80/62/840698062.db2.gz OMXATGZYIQZWNU-BJKOFHAPSA-N 1 0 381.479 3.956 20 30 GHEDRO C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000417488606 840909445 /nfs/dbraw/zinc/90/94/45/840909445.db2.gz DDTXQQGAMZHAFT-UHFFFAOYSA-N 1 0 397.571 3.648 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1cccs1 ZINC000581243713 840932116 /nfs/dbraw/zinc/93/21/16/840932116.db2.gz ZCMWUQWSJNQLLX-JXFKEZNVSA-N 1 0 397.519 3.990 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000124442194 840976202 /nfs/dbraw/zinc/97/62/02/840976202.db2.gz FBBIQJYSYHHQHG-FQEVSTJZSA-N 1 0 376.460 3.623 20 30 GHEDRO N#CCCN(Cc1ccco1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000156129878 841066209 /nfs/dbraw/zinc/06/62/09/841066209.db2.gz QWUMVZPWVUWOMC-UHFFFAOYSA-N 1 0 398.532 3.819 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000247628311 844602907 /nfs/dbraw/zinc/60/29/07/844602907.db2.gz UOIYSGMVGDEHSO-YPGOJHLTSA-N 1 0 394.494 3.653 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549476453 841087215 /nfs/dbraw/zinc/08/72/15/841087215.db2.gz KGRRYPNIZMLCQY-ADLFWFRXSA-N 1 0 397.485 3.642 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 ZINC000573613437 844606750 /nfs/dbraw/zinc/60/67/50/844606750.db2.gz RVFSSJMAOFBQQO-UHFFFAOYSA-N 1 0 379.467 3.814 20 30 GHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000581352423 841149360 /nfs/dbraw/zinc/14/93/60/841149360.db2.gz KXZGPJQZXAKKAC-UHFFFAOYSA-N 1 0 397.567 3.569 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc(-c2ccccc2Cl)cs1 ZINC000548160825 841188710 /nfs/dbraw/zinc/18/87/10/841188710.db2.gz LOIAANCTWSJCBZ-UHFFFAOYSA-N 1 0 386.912 3.535 20 30 GHEDRO N#Cc1ccc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)c(F)c1Br ZINC000706940291 841229934 /nfs/dbraw/zinc/22/99/34/841229934.db2.gz YZJCCPJTGUIHTP-UHFFFAOYSA-N 1 0 386.268 3.782 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccccc1CC ZINC000027311419 841370929 /nfs/dbraw/zinc/37/09/29/841370929.db2.gz UNFKLSHYKZLPOH-UHFFFAOYSA-O 1 0 396.536 3.599 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000131093741 861195080 /nfs/dbraw/zinc/19/50/80/861195080.db2.gz UJJPHYLWUCJYQA-JOCHJYFZSA-N 1 0 376.504 3.845 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000027329206 841384044 /nfs/dbraw/zinc/38/40/44/841384044.db2.gz CWEBMRYGCNMATR-UHFFFAOYSA-O 1 0 399.584 3.846 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000661117543 841421043 /nfs/dbraw/zinc/42/10/43/841421043.db2.gz RSQOGGOGTIPLBN-ZBFHGGJFSA-N 1 0 387.480 3.987 20 30 GHEDRO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)C2(CO)CCCC2)c(C#N)c1C ZINC000599433984 861204588 /nfs/dbraw/zinc/20/45/88/861204588.db2.gz OKLVPDPTCPDFII-UHFFFAOYSA-N 1 0 381.476 3.514 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(NC([O-])=[NH+]c2ccccc2)c1 ZINC000329260038 861216315 /nfs/dbraw/zinc/21/63/15/861216315.db2.gz CRWPZLWXGPWCAH-HZPDHXFCSA-N 1 0 381.480 3.914 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000581547904 841649319 /nfs/dbraw/zinc/64/93/19/841649319.db2.gz GBCLZISDHLLXAC-INIZCTEOSA-N 1 0 393.457 3.670 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000500224920 841676373 /nfs/dbraw/zinc/67/63/73/841676373.db2.gz YELUYAOCKALEAG-HSZRJFAPSA-N 1 0 390.458 3.970 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000329275816 861231925 /nfs/dbraw/zinc/23/19/25/861231925.db2.gz KBVRNEMHIVURDF-JRGCBEDISA-N 1 0 381.524 3.761 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCc2ccccc2CC1 ZINC000581593349 841741176 /nfs/dbraw/zinc/74/11/76/841741176.db2.gz JTLZNGOBVCWYBD-UHFFFAOYSA-N 1 0 390.531 3.579 20 30 GHEDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000329275398 861232146 /nfs/dbraw/zinc/23/21/46/861232146.db2.gz BMPMAKIHNVTANH-GOSISDBHSA-N 1 0 399.535 3.948 20 30 GHEDRO Cc1nc([C@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)no1 ZINC000329275314 861232592 /nfs/dbraw/zinc/23/25/92/861232592.db2.gz ISOAHUPHRDJZLI-QGZVFWFLSA-N 1 0 375.517 3.618 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132780 841852574 /nfs/dbraw/zinc/85/25/74/841852574.db2.gz WUGWBWPSSZLHRX-PIPMEXSNSA-N 1 0 377.488 3.985 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000660385451 841911848 /nfs/dbraw/zinc/91/18/48/841911848.db2.gz ITZDLJRVKUAUPT-VVIORFSUSA-N 1 0 383.536 3.688 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)CSc1ccc(C#N)cc1)C1CC1 ZINC000477266139 841931724 /nfs/dbraw/zinc/93/17/24/841931724.db2.gz VBBKWLHSHPAJSU-OAQYLSRUSA-N 1 0 379.529 3.677 20 30 GHEDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cn2)CC1 ZINC000078485808 842055665 /nfs/dbraw/zinc/05/56/65/842055665.db2.gz WOHHUZLTCXRLMT-UHFFFAOYSA-N 1 0 377.536 3.958 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000843676295 842154402 /nfs/dbraw/zinc/15/44/02/842154402.db2.gz ZZCBKBMMORZZHN-XLIONFOSSA-N 1 0 378.438 3.703 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000329329051 861289118 /nfs/dbraw/zinc/28/91/18/861289118.db2.gz YCKDFQRTZGFPKR-FQEVSTJZSA-N 1 0 386.540 3.903 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329326040 861288585 /nfs/dbraw/zinc/28/85/85/861288585.db2.gz TZBJZXCGKYTISR-INIZCTEOSA-N 1 0 392.931 3.753 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000581832743 842257423 /nfs/dbraw/zinc/25/74/23/842257423.db2.gz RCSREHYKCXUAEM-HKUYNNGSSA-N 1 0 398.304 3.652 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc2ccccc21 ZINC000570157206 842265468 /nfs/dbraw/zinc/26/54/68/842265468.db2.gz YMRFYPWVDPZBMF-QFIPXVFZSA-N 1 0 385.467 3.611 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1nc2ccccc2s1 ZINC000599534110 861298000 /nfs/dbraw/zinc/29/80/00/861298000.db2.gz WXAVGRCXLFXHAO-MRXNPFEDSA-N 1 0 381.501 3.627 20 30 GHEDRO CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000613862833 842425919 /nfs/dbraw/zinc/42/59/19/842425919.db2.gz QYFZMRBDORISSW-GCJKJVERSA-N 1 0 376.504 3.925 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCc1c(C)nn(C)c1C ZINC000182045404 842513042 /nfs/dbraw/zinc/51/30/42/842513042.db2.gz XIZTTXPBGSKMHQ-UHFFFAOYSA-N 1 0 390.325 3.534 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610558224 842610328 /nfs/dbraw/zinc/61/03/28/842610328.db2.gz XLDRYDZKANHLAI-GOSISDBHSA-N 1 0 393.491 3.941 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000662085561 842616693 /nfs/dbraw/zinc/61/66/93/842616693.db2.gz HGRIDYNMUJBIAC-GASCZTMLSA-N 1 0 381.398 3.785 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c2ncccc12 ZINC000510494210 842691562 /nfs/dbraw/zinc/69/15/62/842691562.db2.gz WLFPCYRSFFIBKH-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]C3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cnc12 ZINC000603893154 861340122 /nfs/dbraw/zinc/34/01/22/861340122.db2.gz MNDZOOGTUJYVRV-VXGBXAGGSA-N 1 0 391.319 3.600 20 30 GHEDRO Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000329373105 861341215 /nfs/dbraw/zinc/34/12/15/861341215.db2.gz KNWYIHLLRFYHCV-LEWJYISDSA-N 1 0 393.535 3.765 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC#Cc1cccc(F)c1 ZINC000512187671 842838573 /nfs/dbraw/zinc/83/85/73/842838573.db2.gz YLYHMHXLYZSSBB-QFIPXVFZSA-N 1 0 393.506 3.731 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1OC ZINC000510520027 842902949 /nfs/dbraw/zinc/90/29/49/842902949.db2.gz DGHQTQQGTDQHHO-JTSKRJEESA-N 1 0 382.504 3.990 20 30 GHEDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)o1 ZINC000279356349 843022424 /nfs/dbraw/zinc/02/24/24/843022424.db2.gz GUCWDYRVBUXHOV-FQEVSTJZSA-N 1 0 391.475 3.935 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599594349 861381206 /nfs/dbraw/zinc/38/12/06/861381206.db2.gz JYZMGLNRAMSBSS-KKSFZXQISA-N 1 0 389.565 3.798 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000329408573 861382279 /nfs/dbraw/zinc/38/22/79/861382279.db2.gz ZXOKHLFJWOKFRA-QZTJIDSGSA-N 1 0 385.487 3.620 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000623692994 861387147 /nfs/dbraw/zinc/38/71/47/861387147.db2.gz ZCTNCYFLWUBUAM-HXUWFJFHSA-N 1 0 385.552 3.665 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000549600227 843254158 /nfs/dbraw/zinc/25/41/58/843254158.db2.gz MAIRSCHHTBHNCJ-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279734745 843291880 /nfs/dbraw/zinc/29/18/80/843291880.db2.gz OBTXKWJVNWHUFU-FQEVSTJZSA-N 1 0 390.487 3.600 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[NH2+]1 ZINC000662562556 843406010 /nfs/dbraw/zinc/40/60/10/843406010.db2.gz OSMAKCXYZFZDIE-BXKDBHETSA-N 1 0 386.311 3.846 20 30 GHEDRO C=CC[C@@]1(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)CCC[NH2+]1 ZINC000662564566 843411175 /nfs/dbraw/zinc/41/11/75/843411175.db2.gz YSQTXCDVKNFRIE-QFIPXVFZSA-N 1 0 378.476 3.645 20 30 GHEDRO COC(=O)c1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000091829272 843438195 /nfs/dbraw/zinc/43/81/95/843438195.db2.gz IDODTRNUACEZSK-UHFFFAOYSA-N 1 0 388.471 3.882 20 30 GHEDRO COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000512339495 843447041 /nfs/dbraw/zinc/44/70/41/843447041.db2.gz WMRDHTLLKZMXSE-OTRAAIJSSA-N 1 0 389.499 3.893 20 30 GHEDRO CCc1ccc([C@H](C)NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599632614 861423807 /nfs/dbraw/zinc/42/38/07/861423807.db2.gz FSHNXKSBADUGCU-SFHVURJKSA-N 1 0 391.515 3.593 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)cc(OC)c1O ZINC000500506352 843553766 /nfs/dbraw/zinc/55/37/66/843553766.db2.gz CKUPBWDSHLAHEP-OAQYLSRUSA-N 1 0 390.483 3.822 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000599663553 861454363 /nfs/dbraw/zinc/45/43/63/861454363.db2.gz HTEUNYPKGQJCDM-UHFFFAOYSA-N 1 0 381.442 3.654 20 30 GHEDRO Cc1cc(-c2noc([C@H](c3cc4ccccc4[nH]3)N3CC[C@@H]([NH3+])C3)n2)ccc1C#N ZINC001211812170 843827667 /nfs/dbraw/zinc/82/76/67/843827667.db2.gz XTHXZXFXLOTPPE-NQIIRXRSSA-N 1 0 398.470 3.520 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC000669335324 843848862 /nfs/dbraw/zinc/84/88/62/843848862.db2.gz SEAGLLMBPGEIJO-QYZOEREBSA-N 1 0 399.564 3.793 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000509827761 843901305 /nfs/dbraw/zinc/90/13/05/843901305.db2.gz NNEGYYIOPDENJO-UHFFFAOYSA-N 1 0 379.479 3.932 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000731113206 861474259 /nfs/dbraw/zinc/47/42/59/861474259.db2.gz MBJMYPCYNXFYET-NRFANRHFSA-N 1 0 393.487 3.666 20 30 GHEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)NCC(C)(C)C#N)Cc1ccccc1 ZINC000512921689 843988736 /nfs/dbraw/zinc/98/87/36/843988736.db2.gz CFDBRMCWVIQZAY-UHFFFAOYSA-N 1 0 378.520 3.880 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000610813985 844648265 /nfs/dbraw/zinc/64/82/65/844648265.db2.gz YBRMCSDLUZNARK-LLVKDONJSA-N 1 0 375.366 3.528 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000047011673 844682556 /nfs/dbraw/zinc/68/25/56/844682556.db2.gz YWXXPPJEYHSWMN-UHFFFAOYSA-N 1 0 389.421 3.710 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1OC ZINC000575737809 844730405 /nfs/dbraw/zinc/73/04/05/844730405.db2.gz NHJLGMILQQCTCR-QHCPKHFHSA-N 1 0 385.479 3.826 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329478419 861499980 /nfs/dbraw/zinc/49/99/80/861499980.db2.gz QDDVREPPTZTHOO-FQEVSTJZSA-N 1 0 397.563 3.789 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1nccc(-c2ccccc2)c1C#N ZINC001167938861 844838664 /nfs/dbraw/zinc/83/86/64/844838664.db2.gz PGHJNLQSVPILQU-IBGZPJMESA-N 1 0 380.492 3.871 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCC(=O)Nc3cccc4ccccc43)C2)nc1 ZINC000555653191 861503303 /nfs/dbraw/zinc/50/33/03/861503303.db2.gz TWVXSZAPKUAQGL-IBGZPJMESA-N 1 0 386.455 3.588 20 30 GHEDRO CCOC(=O)C[C@H]1CCN(Cc2cc(Br)ccc2C#N)C[C@@H]1C ZINC001141907870 861504561 /nfs/dbraw/zinc/50/45/61/861504561.db2.gz RSGUYXCNOOESDL-UONOGXRCSA-N 1 0 379.298 3.732 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000151138573 844862864 /nfs/dbraw/zinc/86/28/64/844862864.db2.gz RTXSNALSHQOZPN-GFCCVEGCSA-N 1 0 390.256 3.967 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1F ZINC000458306787 844895670 /nfs/dbraw/zinc/89/56/70/844895670.db2.gz CBQSZIONWYHNKG-UHFFFAOYSA-N 1 0 387.480 3.510 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000433021176 844981651 /nfs/dbraw/zinc/98/16/51/844981651.db2.gz WCIKMFYNVWGZHQ-NRFANRHFSA-N 1 0 390.487 3.542 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000473525138 845003710 /nfs/dbraw/zinc/00/37/10/845003710.db2.gz YFNJHGKBKXQPQQ-UHFFFAOYSA-N 1 0 382.426 3.787 20 30 GHEDRO C=C(CNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000512680608 845014831 /nfs/dbraw/zinc/01/48/31/845014831.db2.gz CXVIBAQCOWKLBS-PMACEKPBSA-N 1 0 385.552 3.621 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000673737809 861546198 /nfs/dbraw/zinc/54/61/98/861546198.db2.gz KYCXQEGXMDACOG-UHFFFAOYSA-N 1 0 396.535 3.631 20 30 GHEDRO O=C(C[NH2+][C@H]1c2ccccc2CC12CCOCC2)Nc1ccc2c(c1)OCO2 ZINC000329500888 861552418 /nfs/dbraw/zinc/55/24/18/861552418.db2.gz HMIACIJNGDSYKY-NRFANRHFSA-N 1 0 380.444 3.687 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)CC1 ZINC000067165854 845328763 /nfs/dbraw/zinc/32/87/63/845328763.db2.gz KEVZDQWIBFGILQ-UHFFFAOYSA-N 1 0 375.472 3.531 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2cccc(C#N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000450251610 845551364 /nfs/dbraw/zinc/55/13/64/845551364.db2.gz CAMWESGBDZHUFY-HZPDHXFCSA-N 1 0 380.448 3.688 20 30 GHEDRO N#Cc1cccc(-c2noc([C@@H](c3cc4ccccc4[nH]3)N3CCC[C@@H]([NH3+])C3)n2)c1 ZINC001211806344 845566583 /nfs/dbraw/zinc/56/65/83/845566583.db2.gz TWZZFBPXESILRB-WIYYLYMNSA-N 1 0 398.470 3.602 20 30 GHEDRO CC1CC[NH+](CCNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000513523249 845576189 /nfs/dbraw/zinc/57/61/89/845576189.db2.gz YSBCULRTCDAAKX-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000511029680 845734736 /nfs/dbraw/zinc/73/47/36/845734736.db2.gz PPGGHLFKRPVTBT-UHFFFAOYSA-N 1 0 381.451 3.903 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccc(Br)s1)C(C)C ZINC000511047551 845932495 /nfs/dbraw/zinc/93/24/95/845932495.db2.gz OMCQMNKZEHSRMH-HNNXBMFYSA-N 1 0 385.371 3.868 20 30 GHEDRO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329555308 861652147 /nfs/dbraw/zinc/65/21/47/861652147.db2.gz QCVPTXCQQIMXKD-DXBBTUNJSA-N 1 0 385.552 3.594 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC[C@H]2CC)cc1 ZINC000502591895 846219514 /nfs/dbraw/zinc/21/95/14/846219514.db2.gz BRGFIIBBGGWPOK-OAQYLSRUSA-N 1 0 398.551 3.887 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)[C@@H](C)CC)cc1OC ZINC000236980884 846326767 /nfs/dbraw/zinc/32/67/67/846326767.db2.gz AXFIXIIWONNLQX-UGSOOPFHSA-N 1 0 386.330 3.909 20 30 GHEDRO Cc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)ccc(C#N)c1C#N ZINC000421552778 846348552 /nfs/dbraw/zinc/34/85/52/846348552.db2.gz CDYDBTIFPGUWGR-IBGZPJMESA-N 1 0 394.425 3.834 20 30 GHEDRO C[C@]1(c2ccccc2)CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000329565778 861671063 /nfs/dbraw/zinc/67/10/63/861671063.db2.gz SQULUWZYVQNXRK-AKFKNWHVSA-N 1 0 399.579 3.722 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1-n1cccn1 ZINC000183152934 846406851 /nfs/dbraw/zinc/40/68/51/846406851.db2.gz RBZBMGGGDBNEEZ-AWEZNQCLSA-N 1 0 379.851 3.687 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc(C)cc2)cc1 ZINC000280577110 846443637 /nfs/dbraw/zinc/44/36/37/846443637.db2.gz MHFGGRRZFKHYQQ-FQEVSTJZSA-O 1 0 397.564 3.942 20 30 GHEDRO N#CCSCCC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280589010 846452304 /nfs/dbraw/zinc/45/23/04/846452304.db2.gz UENVROPHRRLAIT-CYBMUJFWSA-N 1 0 397.260 3.738 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000280729674 846513139 /nfs/dbraw/zinc/51/31/39/846513139.db2.gz CWLYOCUWMCIWGF-XCLNPWKQSA-N 1 0 380.492 3.760 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000280729679 846513307 /nfs/dbraw/zinc/51/33/07/846513307.db2.gz CWLYOCUWMCIWGF-XLNTUCKNSA-N 1 0 380.492 3.760 20 30 GHEDRO O=C(COc1cc(Cl)cc(Cl)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329573305 861693143 /nfs/dbraw/zinc/69/31/43/861693143.db2.gz AJTQSZXGVJULCS-UHFFFAOYSA-N 1 0 387.307 3.974 20 30 GHEDRO C=CCC[C@@H](C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422015015 846732190 /nfs/dbraw/zinc/73/21/90/846732190.db2.gz GIWSWVKQGHRBEV-HSZRJFAPSA-N 1 0 383.580 3.755 20 30 GHEDRO Cc1cc(NC(=O)c2cc(C#N)cs2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000366513064 846942529 /nfs/dbraw/zinc/94/25/29/846942529.db2.gz KNEBXSITYFOMIB-SFHVURJKSA-N 1 0 391.500 3.824 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CCC(=O)Nc1sccc1C#N ZINC000501779330 847179918 /nfs/dbraw/zinc/17/99/18/847179918.db2.gz WFMXAZIEGQKAMT-IAGOWNOFSA-N 1 0 382.533 3.543 20 30 GHEDRO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)[nH]n1 ZINC000273039332 847235889 /nfs/dbraw/zinc/23/58/89/847235889.db2.gz WKNDXFJNIIUCCR-SFHVURJKSA-N 1 0 379.508 3.541 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CSc1ccc(C#N)cc1 ZINC000131855943 861769073 /nfs/dbraw/zinc/76/90/73/861769073.db2.gz KCAOFRHDKWVVAZ-SFHVURJKSA-N 1 0 379.529 3.773 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329618002 861783144 /nfs/dbraw/zinc/78/31/44/861783144.db2.gz LTZLQYJDFNVIER-OAQYLSRUSA-N 1 0 393.535 3.992 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000127774837 847448065 /nfs/dbraw/zinc/44/80/65/847448065.db2.gz NRTRXPOCDFDIMB-GOSISDBHSA-N 1 0 397.544 3.552 20 30 GHEDRO COc1ccc(C[N@H+](CCC(=O)Nc2sccc2C#N)CC2CC2)c(OC)c1 ZINC000503200713 847461808 /nfs/dbraw/zinc/46/18/08/847461808.db2.gz ZMRAEFLOTXAOFD-UHFFFAOYSA-N 1 0 399.516 3.878 20 30 GHEDRO C=CCCCN(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000152716675 847568843 /nfs/dbraw/zinc/56/88/43/847568843.db2.gz VQPDFAVHXLTUFM-QGZVFWFLSA-N 1 0 376.520 3.636 20 30 GHEDRO C=CCCCN(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000152716764 847597845 /nfs/dbraw/zinc/59/78/45/847597845.db2.gz VQPDFAVHXLTUFM-KRWDZBQOSA-N 1 0 376.520 3.636 20 30 GHEDRO N#CCC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000599872981 861809456 /nfs/dbraw/zinc/80/94/56/861809456.db2.gz IJGOSVAZGOMVHA-RTBURBONSA-N 1 0 379.529 3.774 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)CC2)cc1 ZINC000159286196 847607405 /nfs/dbraw/zinc/60/74/05/847607405.db2.gz DAEGWYHJPPWRAZ-VQTJNVASSA-N 1 0 395.453 3.674 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000509966310 847651484 /nfs/dbraw/zinc/65/14/84/847651484.db2.gz AAEFIWWURMSSOX-FQEVSTJZSA-N 1 0 380.492 3.698 20 30 GHEDRO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329628898 861820047 /nfs/dbraw/zinc/82/00/47/861820047.db2.gz VYABQWCWJGCKJE-UGKANONSSA-N 1 0 377.573 3.569 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1F ZINC000421347975 847968027 /nfs/dbraw/zinc/96/80/27/847968027.db2.gz VMLKSKKJUNGTJV-INIZCTEOSA-N 1 0 391.368 3.607 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329637962 861859045 /nfs/dbraw/zinc/85/90/45/861859045.db2.gz VWCQLVCRKIEJLO-UXHICEINSA-N 1 0 379.508 3.648 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582731379 848182621 /nfs/dbraw/zinc/18/26/21/848182621.db2.gz DCWDDJVWQBCAEZ-JOCHJYFZSA-N 1 0 398.514 3.862 20 30 GHEDRO COc1cc2cccnc2c(N(c2cccc(CC#N)n2)[C@@H](C)CCC[NH3+])c1 ZINC001167616399 848367931 /nfs/dbraw/zinc/36/79/31/848367931.db2.gz XOLCVGZSTNRXGD-INIZCTEOSA-N 1 0 375.476 3.970 20 30 GHEDRO C=C(C)[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000481626117 861903210 /nfs/dbraw/zinc/90/32/10/861903210.db2.gz XQRHLPUNCNMWDP-LJQANCHMSA-N 1 0 381.444 3.654 20 30 GHEDRO C[N@H+](CCCOc1ccc(C#N)cc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001167622249 848453675 /nfs/dbraw/zinc/45/36/75/848453675.db2.gz WDOZTJXSFONZNC-UHFFFAOYSA-N 1 0 375.513 3.810 20 30 GHEDRO COC(=O)[C@H](OC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000842331551 861909601 /nfs/dbraw/zinc/90/96/01/861909601.db2.gz GSAUSNSPUNJFTQ-OAQYLSRUSA-N 1 0 392.455 3.615 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000176749158 848528646 /nfs/dbraw/zinc/52/86/46/848528646.db2.gz HJTIXQBLWMYBEC-UHFFFAOYSA-N 1 0 386.879 3.869 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1OC ZINC000120254748 848537509 /nfs/dbraw/zinc/53/75/09/848537509.db2.gz LOSTXEQDFPLDPG-UHFFFAOYSA-N 1 0 376.460 3.771 20 30 GHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(-c3ccccc3)c(C)c2)CC1 ZINC000186880341 861915136 /nfs/dbraw/zinc/91/51/36/861915136.db2.gz MJLUSILBOKUZJF-UHFFFAOYSA-N 1 0 394.519 3.687 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000481655007 861958922 /nfs/dbraw/zinc/95/89/22/861958922.db2.gz WAVOASCLODRJGD-HVCNVCAESA-N 1 0 389.543 3.798 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000278059034 849003886 /nfs/dbraw/zinc/00/38/86/849003886.db2.gz FHMPFCPANJLKPZ-UHFFFAOYSA-N 1 0 391.450 3.536 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000731972459 861988592 /nfs/dbraw/zinc/98/85/92/861988592.db2.gz NYDHARRYPZVHLB-LJQANCHMSA-N 1 0 391.515 3.822 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176496328 849278482 /nfs/dbraw/zinc/27/84/82/849278482.db2.gz MPSWCKNPOIQHNJ-UHFFFAOYSA-N 1 0 398.551 3.513 20 30 GHEDRO N#CC[C@H](CC(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccccc1 ZINC000475023077 862001260 /nfs/dbraw/zinc/00/12/60/862001260.db2.gz MDGWEZAKAAZJPD-OAQYLSRUSA-N 1 0 377.488 3.587 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213764 849403863 /nfs/dbraw/zinc/40/38/63/849403863.db2.gz CBIZESNVFSRLIZ-SJLPKXTDSA-N 1 0 378.314 3.640 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180214803 862019525 /nfs/dbraw/zinc/01/95/25/862019525.db2.gz SQTRZANOFNJTOP-MRXNPFEDSA-N 1 0 385.414 3.542 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(CCC)cc1 ZINC000278163607 849455484 /nfs/dbraw/zinc/45/54/84/849455484.db2.gz DFIHIHCLPBWKFY-UHFFFAOYSA-O 1 0 399.536 3.652 20 30 GHEDRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458487898 849669913 /nfs/dbraw/zinc/66/99/13/849669913.db2.gz GMPDOCRBBSUWNV-OAQYLSRUSA-N 1 0 386.540 3.610 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCC2CCC(C#N)CC2)[NH+](C)C)cc1 ZINC000503907611 849768735 /nfs/dbraw/zinc/76/87/35/849768735.db2.gz BHXLTZQTPHARBL-NGICGMGXSA-N 1 0 386.540 3.706 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000604276912 862058117 /nfs/dbraw/zinc/05/81/17/862058117.db2.gz YJQZHIYFHSTYDX-STQMWFEESA-N 1 0 393.331 3.950 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505581215 849957248 /nfs/dbraw/zinc/95/72/48/849957248.db2.gz LNKKVURFQIKHIM-LJQANCHMSA-N 1 0 382.426 3.828 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000435036703 850001323 /nfs/dbraw/zinc/00/13/23/850001323.db2.gz UMIJVTBEAQHNPW-JOCHJYFZSA-N 1 0 391.515 3.798 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435124276 850103226 /nfs/dbraw/zinc/10/32/26/850103226.db2.gz NTPHRXGLNMUQEM-LJQANCHMSA-N 1 0 387.487 3.857 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435136156 850120214 /nfs/dbraw/zinc/12/02/14/850120214.db2.gz YXXLKCKNNGHALG-WOJBJXKFSA-N 1 0 381.524 3.884 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCCC2 ZINC000439640962 850202449 /nfs/dbraw/zinc/20/24/49/850202449.db2.gz AXOOAEJBRLRBDA-LSTHTHJFSA-N 1 0 387.499 3.788 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC000424111844 850224706 /nfs/dbraw/zinc/22/47/06/850224706.db2.gz HJBPXEKIOQCOFC-HNNXBMFYSA-N 1 0 383.473 3.569 20 30 GHEDRO COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424113791 850227234 /nfs/dbraw/zinc/22/72/34/850227234.db2.gz OQIXMFXZODZVRE-WIYYLYMNSA-N 1 0 379.504 3.676 20 30 GHEDRO CSc1cccc([C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2ccc(F)c(F)c2)c1 ZINC000424126239 850239555 /nfs/dbraw/zinc/23/95/55/850239555.db2.gz OXXXTLLXNDCOHA-RBUKOAKNSA-N 1 0 389.471 3.913 20 30 GHEDRO C=CCOc1ccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435396501 850478547 /nfs/dbraw/zinc/47/85/47/850478547.db2.gz ZFYIANMMBDRTJT-NRFANRHFSA-N 1 0 381.520 3.799 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccc(OC(F)F)cc2)c(-c2ccncc2)n1 ZINC000514988149 850579709 /nfs/dbraw/zinc/57/97/09/850579709.db2.gz RYUPASMLSSTHHM-UHFFFAOYSA-N 1 0 397.429 3.792 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2csc(CCc3ccccc3)n2)CC1 ZINC000435501733 850596191 /nfs/dbraw/zinc/59/61/91/850596191.db2.gz NCLPBKYVOPZBLB-UHFFFAOYSA-N 1 0 398.576 3.768 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3c(F)cc(C#N)cc3F)c2)CC1 ZINC000132554856 862154523 /nfs/dbraw/zinc/15/45/23/862154523.db2.gz PXWSWNIMIFJYSN-UHFFFAOYSA-N 1 0 383.442 3.998 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2ccsc2[C@@H]1C ZINC000909298318 850679890 /nfs/dbraw/zinc/67/98/90/850679890.db2.gz VKAGZJKXOVGTCQ-JQHSSLGASA-N 1 0 399.564 3.575 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Cc2c(F)cccc2C#N)[NH+]2CCCCC2)cc1 ZINC000505169983 850681110 /nfs/dbraw/zinc/68/11/10/850681110.db2.gz XXGMYEXSBGWTOJ-JOCHJYFZSA-N 1 0 395.478 3.592 20 30 GHEDRO C=CCC1(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)CCOCC1 ZINC000424807181 850713622 /nfs/dbraw/zinc/71/36/22/850713622.db2.gz RVLYQJXXPWHIFW-UHFFFAOYSA-N 1 0 385.552 3.837 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108374763 850768222 /nfs/dbraw/zinc/76/82/22/850768222.db2.gz NLRROYMGWAVZEU-ZHRRBRCNSA-N 1 0 399.514 3.523 20 30 GHEDRO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000425405251 850810575 /nfs/dbraw/zinc/81/05/75/850810575.db2.gz XRZDJBZTTNUFEQ-ROUUACIJSA-N 1 0 376.504 3.707 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000487744940 850879133 /nfs/dbraw/zinc/87/91/33/850879133.db2.gz VEQGAFJBDPDLJC-QKNQBKEWSA-N 1 0 385.552 3.531 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000425437110 851098956 /nfs/dbraw/zinc/09/89/56/851098956.db2.gz ZBQMUEWOHOLXMA-XLIONFOSSA-N 1 0 380.492 3.999 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000440383136 851107801 /nfs/dbraw/zinc/10/78/01/851107801.db2.gz UMHJGLFEYILJAQ-UKILVPOCSA-N 1 0 387.527 3.743 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000604440778 862207922 /nfs/dbraw/zinc/20/79/22/862207922.db2.gz SKBQTUIWWWHEAJ-RBSFLKMASA-N 1 0 386.565 3.649 20 30 GHEDRO C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1=CC[N@H+](C)CC1 ZINC000329715434 862208677 /nfs/dbraw/zinc/20/86/77/862208677.db2.gz UZIKXVQAQUKEGC-SWLSCSKDSA-N 1 0 396.318 3.953 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000604475297 862217506 /nfs/dbraw/zinc/21/75/06/862217506.db2.gz CHDYFGANVABFGH-FQEVSTJZSA-N 1 0 392.503 3.991 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425090751 851252547 /nfs/dbraw/zinc/25/25/47/851252547.db2.gz XMQKDYQQTJYUBG-ZDUSSCGKSA-N 1 0 384.505 3.577 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481761502 862224718 /nfs/dbraw/zinc/22/47/18/862224718.db2.gz PPZHXJJDYICOBI-MSOLQXFVSA-N 1 0 396.304 3.683 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1Cl ZINC000550064146 851340903 /nfs/dbraw/zinc/34/09/03/851340903.db2.gz WWODKOIICSVOIZ-OAQYLSRUSA-N 1 0 391.943 3.626 20 30 GHEDRO C[N@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000604521431 862241566 /nfs/dbraw/zinc/24/15/66/862241566.db2.gz JRKSEYOHGQXLSO-WWNPGLIZSA-N 1 0 389.499 3.763 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)CC1 ZINC000514231038 851430767 /nfs/dbraw/zinc/43/07/67/851430767.db2.gz QVGBJFIODGVYNJ-UHFFFAOYSA-N 1 0 379.907 3.961 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000505460992 851439978 /nfs/dbraw/zinc/43/99/78/851439978.db2.gz HNNUUGPBSXKDKH-HNNXBMFYSA-N 1 0 392.341 3.816 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)[C@]3(C#N)CC34CCCC4)CC[N@@H+]2C2CC2)c1 ZINC000515772017 851454938 /nfs/dbraw/zinc/45/49/38/851454938.db2.gz DYMXPFGGXXOVIV-MIZPHKNDSA-N 1 0 379.504 3.563 20 30 GHEDRO COc1cc(NC(=O)CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000425533830 851552376 /nfs/dbraw/zinc/55/23/76/851552376.db2.gz LIZRDZDBIFLIQG-HNNXBMFYSA-N 1 0 397.475 3.606 20 30 GHEDRO CCN(CC)C(=O)c1ccc(NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425537178 851564845 /nfs/dbraw/zinc/56/48/45/851564845.db2.gz PTWIIYXLAWRGRW-QGZVFWFLSA-N 1 0 392.503 3.672 20 30 GHEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000425554123 851620560 /nfs/dbraw/zinc/62/05/60/851620560.db2.gz VHUOMNZOHKSHIW-SFHVURJKSA-N 1 0 375.394 3.668 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000604564163 862279944 /nfs/dbraw/zinc/27/99/44/862279944.db2.gz HOOUFZKVSJFTFU-IBGZPJMESA-N 1 0 391.515 3.874 20 30 GHEDRO COc1cc(C)c(Br)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329757883 862296153 /nfs/dbraw/zinc/29/61/53/862296153.db2.gz ZQBRRFKVTJSMKT-UKRRQHHQSA-N 1 0 382.302 3.719 20 30 GHEDRO O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N=C1NCCS1 ZINC000057960098 862297669 /nfs/dbraw/zinc/29/76/69/862297669.db2.gz XDTIJJOHVJMISY-UHFFFAOYSA-N 1 0 396.903 3.954 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000425554475 851921474 /nfs/dbraw/zinc/92/14/74/851921474.db2.gz WFAYSBFYSUECKO-WDSOQIARSA-N 1 0 379.932 3.613 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000111859366 851948906 /nfs/dbraw/zinc/94/89/06/851948906.db2.gz WNUJEKUNHBQOJP-UHFFFAOYSA-N 1 0 396.535 3.588 20 30 GHEDRO CCC(CC)[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+](C)C ZINC000438076181 851989972 /nfs/dbraw/zinc/98/99/72/851989972.db2.gz STOFRCWUWBFHCR-QFIPXVFZSA-N 1 0 378.520 3.969 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000329791680 862323003 /nfs/dbraw/zinc/32/30/03/862323003.db2.gz DXFZSZYPDNRWKK-YSHGAJCASA-N 1 0 388.508 3.697 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1Cl ZINC000505856478 852145814 /nfs/dbraw/zinc/14/58/14/852145814.db2.gz JTMMEOQIULDETJ-INIZCTEOSA-N 1 0 383.879 3.941 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000440474336 852169209 /nfs/dbraw/zinc/16/92/09/852169209.db2.gz QGTDTQFRDNDMOV-HXUWFJFHSA-N 1 0 391.515 3.911 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000517617100 852175569 /nfs/dbraw/zinc/17/55/69/852175569.db2.gz HDBQHNVRJLDEKG-KRWDZBQOSA-N 1 0 386.515 3.893 20 30 GHEDRO C[NH+]1CCC(NC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)CC1 ZINC000329802948 862332368 /nfs/dbraw/zinc/33/23/68/862332368.db2.gz KUZIKKHKCDJYKR-MRXNPFEDSA-N 1 0 384.549 3.513 20 30 GHEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000425612329 852228393 /nfs/dbraw/zinc/22/83/93/852228393.db2.gz UPYIHQDSGZKHMF-LJQANCHMSA-N 1 0 386.455 3.736 20 30 GHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1cccc(N3CCCC3=O)c1)CC2 ZINC000329809331 862335759 /nfs/dbraw/zinc/33/57/59/862335759.db2.gz QBWPSZKMDIYVGH-DSKINZAPSA-N 1 0 398.551 3.736 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000516200706 852262676 /nfs/dbraw/zinc/26/26/76/852262676.db2.gz BQSFTVCZGSJKTB-NRFANRHFSA-N 1 0 394.421 3.955 20 30 GHEDRO CCOCCC[NH+]=C(NCc1c(C)nn(-c2ccccc2)c1C)NC(C)(C)C ZINC000912499550 852308472 /nfs/dbraw/zinc/30/84/72/852308472.db2.gz QRJQLLRGEIFUHQ-UHFFFAOYSA-N 1 0 385.556 3.749 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000508451478 862344225 /nfs/dbraw/zinc/34/42/25/862344225.db2.gz CCOQDCBCLWWGCL-FQEVSTJZSA-N 1 0 382.552 3.795 20 30 GHEDRO C=CCOc1ccccc1CNc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000126532636 852500612 /nfs/dbraw/zinc/50/06/12/852500612.db2.gz SLJADNCOJSJOOB-UHFFFAOYSA-N 1 0 393.531 3.603 20 30 GHEDRO C=CCC[C@@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccccc1 ZINC000489739714 852562628 /nfs/dbraw/zinc/56/26/28/852562628.db2.gz PGLJDQGATWPGOT-LEWJYISDSA-N 1 0 378.520 3.910 20 30 GHEDRO C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCC1)n1ccc2ccccc2c1=O ZINC000329849878 862371920 /nfs/dbraw/zinc/37/19/20/862371920.db2.gz NVQGVIQUXJNHTH-QGZVFWFLSA-N 1 0 399.560 3.881 20 30 GHEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437088598 852721460 /nfs/dbraw/zinc/72/14/60/852721460.db2.gz ROPZUTQHXRGWDR-QHGAOEGBSA-N 1 0 392.503 3.959 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000490062693 852743143 /nfs/dbraw/zinc/74/31/43/852743143.db2.gz QSHGLEBKAYXXJZ-GOSISDBHSA-N 1 0 381.476 3.531 20 30 GHEDRO COc1ccc2c(c1)[C@H](C(=O)NCC1(C[NH+]3CCOCC3)CCCCC1)CC2 ZINC000329879740 862392170 /nfs/dbraw/zinc/39/21/70/862392170.db2.gz MREQNRVUQDUABX-HXUWFJFHSA-N 1 0 386.536 3.964 20 30 GHEDRO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000438751867 852818315 /nfs/dbraw/zinc/81/83/15/852818315.db2.gz CSDZDFNCZCTSCK-UHFFFAOYSA-N 1 0 386.540 3.566 20 30 GHEDRO N#CC1(NC(=O)CCCc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000516782378 852993612 /nfs/dbraw/zinc/99/36/12/852993612.db2.gz PJPCZNDBXHYERI-UHFFFAOYSA-N 1 0 379.479 3.823 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000550288679 853028370 /nfs/dbraw/zinc/02/83/70/853028370.db2.gz UPYILQYORJZJCD-ZDUSSCGKSA-N 1 0 397.841 3.826 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000414902622 853059929 /nfs/dbraw/zinc/05/99/29/853059929.db2.gz KEVYJOUIHIPWNE-MJGOQNOKSA-N 1 0 398.894 3.577 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@](C)(O)CC2)C1 ZINC000329921627 862426410 /nfs/dbraw/zinc/42/64/10/862426410.db2.gz SRIZNMUFWMEOAP-YYDVJCTNSA-N 1 0 387.568 3.815 20 30 GHEDRO Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000329925787 862429704 /nfs/dbraw/zinc/42/97/04/862429704.db2.gz VSLFWZDJOIIQBT-SFHVURJKSA-N 1 0 395.551 3.956 20 30 GHEDRO O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329932625 862435615 /nfs/dbraw/zinc/43/56/15/862435615.db2.gz IVFABLILLRWFQD-IAGOWNOFSA-N 1 0 385.443 3.515 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000913258593 853190352 /nfs/dbraw/zinc/19/03/52/853190352.db2.gz ZLTHFGNJPQXECL-LJQANCHMSA-N 1 0 385.533 3.931 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000437541810 853260562 /nfs/dbraw/zinc/26/05/62/853260562.db2.gz SUPVVIMPXKIBAH-YADHBBJMSA-N 1 0 399.579 3.959 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000506483483 853265867 /nfs/dbraw/zinc/26/58/67/853265867.db2.gz WYSAOTNLHCKTME-UHFFFAOYSA-N 1 0 395.478 3.903 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000437643440 853356073 /nfs/dbraw/zinc/35/60/73/853356073.db2.gz ZUJLAYMPLBKDBL-BWAGFHJFSA-N 1 0 385.552 3.699 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1 ZINC000261974648 853357105 /nfs/dbraw/zinc/35/71/05/853357105.db2.gz FKGFRQUBEYFSQW-UHFFFAOYSA-N 1 0 381.476 3.507 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000519714459 853419954 /nfs/dbraw/zinc/41/99/54/853419954.db2.gz XNCNQVZEVMHXBR-QGZVFWFLSA-N 1 0 376.508 3.675 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+]2CCCC2)o1 ZINC000509188224 862466713 /nfs/dbraw/zinc/46/67/13/862466713.db2.gz YDFLGGRZNQEYBU-IBGZPJMESA-N 1 0 383.467 3.830 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000129533394 853465189 /nfs/dbraw/zinc/46/51/89/853465189.db2.gz GUXODLQAMCVHBZ-UHFFFAOYSA-N 1 0 392.916 3.558 20 30 GHEDRO COc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000519793705 853476735 /nfs/dbraw/zinc/47/67/35/853476735.db2.gz CTOACBOIADJKFZ-PXNSSMCTSA-N 1 0 398.532 3.511 20 30 GHEDRO CC[C@](C)(O)C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000439259167 853477418 /nfs/dbraw/zinc/47/74/18/853477418.db2.gz GJWZNZSCIDKYCB-NRFANRHFSA-N 1 0 385.895 3.813 20 30 GHEDRO Cn1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491194812 853485095 /nfs/dbraw/zinc/48/50/95/853485095.db2.gz PRZMDONUNLPJMJ-UHFFFAOYSA-N 1 0 391.906 3.934 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437759886 853499371 /nfs/dbraw/zinc/49/93/71/853499371.db2.gz PTWVETCTNCMZNA-FGZHOGPDSA-N 1 0 392.503 3.931 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000586796789 853554393 /nfs/dbraw/zinc/55/43/93/853554393.db2.gz QBMZMMRSCBIKDL-IIYDPXPESA-N 1 0 383.521 3.602 20 30 GHEDRO COC(=O)c1sccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000519908389 853599885 /nfs/dbraw/zinc/59/98/85/853599885.db2.gz WOFUJRAKEHURJG-UHFFFAOYSA-N 1 0 385.489 3.503 20 30 GHEDRO C[NH+](C)CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 ZINC000519901003 853610228 /nfs/dbraw/zinc/61/02/28/853610228.db2.gz BOSXZKQTFQWFHG-UHFFFAOYSA-N 1 0 389.455 3.939 20 30 GHEDRO C=CCOCC[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000549996821 853647179 /nfs/dbraw/zinc/64/71/79/853647179.db2.gz BGQCRLLTLNWAEK-INIZCTEOSA-N 1 0 384.314 3.641 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC(C)C)[n+]2cccc(CO)c2)c(C)c(C)c1C ZINC000044557342 853657418 /nfs/dbraw/zinc/65/74/18/853657418.db2.gz GJLMFZUDWZQPNJ-UHFFFAOYSA-O 1 0 385.553 3.637 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000044566095 853661506 /nfs/dbraw/zinc/66/15/06/853661506.db2.gz OMRXVSSSBMDUPP-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000044566323 853661568 /nfs/dbraw/zinc/66/15/68/853661568.db2.gz BLYNNVWWKYAGRI-UHFFFAOYSA-N 1 0 392.434 3.556 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC)Oc2cccc(Cl)c2)CC1 ZINC000440939846 853772444 /nfs/dbraw/zinc/77/24/44/853772444.db2.gz FFCPDTTVWSNXHY-SFHVURJKSA-N 1 0 379.932 3.837 20 30 GHEDRO N#Cc1ccc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)cc1Cl ZINC000571720722 854026443 /nfs/dbraw/zinc/02/64/43/854026443.db2.gz XDWQDKFRITZZNY-SFHVURJKSA-N 1 0 380.835 3.835 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1cccc(CC#N)c1)[NH+]1CCCCC1 ZINC000055752557 854089822 /nfs/dbraw/zinc/08/98/22/854089822.db2.gz HBOBPJXWMZBQAG-NRFANRHFSA-N 1 0 377.488 3.718 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)C1 ZINC000473898479 854160531 /nfs/dbraw/zinc/16/05/31/854160531.db2.gz WGENFLWMWMCZKP-SFHVURJKSA-N 1 0 389.499 3.949 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000330064369 862546582 /nfs/dbraw/zinc/54/65/82/862546582.db2.gz QZOFBIGVKBUXKA-VJFUWPCTSA-N 1 0 375.900 3.666 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000328623006 854484508 /nfs/dbraw/zinc/48/45/08/854484508.db2.gz YNJADBNOHLSJBP-GOEBONIOSA-N 1 0 377.533 3.729 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328665036 854496166 /nfs/dbraw/zinc/49/61/66/854496166.db2.gz YZESFLQCYLDCRJ-ZBFHGGJFSA-N 1 0 393.413 3.844 20 30 GHEDRO CC[C@@H](C)n1ncc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1C ZINC000330098061 862572362 /nfs/dbraw/zinc/57/23/62/862572362.db2.gz BKBAOAWFZCXQAY-OAHLLOKOSA-N 1 0 379.574 3.850 20 30 GHEDRO C[C@@H](NC(=O)c1cccs1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328712314 854518507 /nfs/dbraw/zinc/51/85/07/854518507.db2.gz NJCKSDAJWWJSJV-MRXNPFEDSA-N 1 0 377.554 3.869 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)c2coc(C3CCOCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000328767119 854533819 /nfs/dbraw/zinc/53/38/19/854533819.db2.gz BEVSTBSQJWIQPN-VQIMIIECSA-N 1 0 383.492 3.926 20 30 GHEDRO CCOc1cc(Br)ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330104905 862578488 /nfs/dbraw/zinc/57/84/88/862578488.db2.gz JFRDBOMZKQGDIX-UKRRQHHQSA-N 1 0 382.302 3.801 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000328797094 854561202 /nfs/dbraw/zinc/56/12/02/854561202.db2.gz VKEZSTAYJXLFPZ-INIZCTEOSA-N 1 0 375.488 3.651 20 30 GHEDRO Cc1ccc([C@@H](C)NC(=O)CN(C)CCOCc2ccc(C#N)cc2)cc1C ZINC000588978790 854625777 /nfs/dbraw/zinc/62/57/77/854625777.db2.gz FJPCPQLPFIJLBB-LJQANCHMSA-N 1 0 379.504 3.501 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000588980475 854625981 /nfs/dbraw/zinc/62/59/81/854625981.db2.gz MSPMQPXDWIEQSJ-UHFFFAOYSA-N 1 0 396.878 3.561 20 30 GHEDRO Cn1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C2CCCCC2)n1 ZINC000328969701 854636150 /nfs/dbraw/zinc/63/61/50/854636150.db2.gz UMPJVEONOGNLTN-WOJBJXKFSA-N 1 0 388.556 3.540 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056327512 854639749 /nfs/dbraw/zinc/63/97/49/854639749.db2.gz XXYZFROLUUXDIS-UHFFFAOYSA-N 1 0 393.535 3.623 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC[N@@H+]1C ZINC000330466767 854672879 /nfs/dbraw/zinc/67/28/79/854672879.db2.gz HUYWVMURWKDMBT-HIFRSBDPSA-N 1 0 379.932 3.790 20 30 GHEDRO Cc1cc(Cl)c(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1C ZINC000330765370 854748040 /nfs/dbraw/zinc/74/80/40/854748040.db2.gz JVIAWMFFZWHNDW-UHFFFAOYSA-N 1 0 393.959 3.888 20 30 GHEDRO C=CCn1c(CCC(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000589248165 854759862 /nfs/dbraw/zinc/75/98/62/854759862.db2.gz PWHJHHZSLORFLZ-UHFFFAOYSA-N 1 0 392.551 3.637 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000589261217 854765330 /nfs/dbraw/zinc/76/53/30/854765330.db2.gz FUTMNPPRTDWTEQ-BRWVUGGUSA-N 1 0 375.538 3.502 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2cccc(C(F)F)c2Cl)CC[N@@H+]1C[C@H](C)O ZINC000330851126 854765996 /nfs/dbraw/zinc/76/59/96/854765996.db2.gz NKZNQXIBVRMZLY-RYUDHWBXSA-N 1 0 375.847 3.600 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)[C@H](C)C1 ZINC000330977671 854789392 /nfs/dbraw/zinc/78/93/92/854789392.db2.gz KZNJHLIETKDJHZ-BEFAXECRSA-N 1 0 375.513 3.804 20 30 GHEDRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331287086 854831426 /nfs/dbraw/zinc/83/14/26/854831426.db2.gz NSQRDUMHEGGRRY-HXUWFJFHSA-N 1 0 392.569 3.743 20 30 GHEDRO Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000330144270 862612945 /nfs/dbraw/zinc/61/29/45/862612945.db2.gz ZNBQSQHTCIXUJI-FQEVSTJZSA-N 1 0 388.556 3.668 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC000669335031 855024178 /nfs/dbraw/zinc/02/41/78/855024178.db2.gz ONBFFLYDXIZKPT-NJYVYQBISA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC(C)(C)CC(C)(C)C1 ZINC000669335254 855024535 /nfs/dbraw/zinc/02/45/35/855024535.db2.gz RCLVYDKLKDEQLY-MSOLQXFVSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1[C@H](C)CCC ZINC000669334604 855031007 /nfs/dbraw/zinc/03/10/07/855031007.db2.gz CGUBGGOHYFTPRE-WTGUMLROSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H](C2CCCCC2)C1 ZINC000669335932 855041292 /nfs/dbraw/zinc/04/12/92/855041292.db2.gz RIVXRHLDRMPDRS-HBMCJLEFSA-N 1 0 399.583 3.797 20 30 GHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccc(C)cc2)c1 ZINC000186965864 862641241 /nfs/dbraw/zinc/64/12/41/862641241.db2.gz OZJPWZDXYRRETK-UHFFFAOYSA-O 1 0 390.488 3.920 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000056935353 855131292 /nfs/dbraw/zinc/13/12/92/855131292.db2.gz VGOIVJICKPLLMQ-NRFANRHFSA-N 1 0 385.483 3.835 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000054538688 855165398 /nfs/dbraw/zinc/16/53/98/855165398.db2.gz VXIVRCNTTJETBL-UHFFFAOYSA-N 1 0 396.491 3.608 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC(=O)Nc1ccccc1 ZINC000507757881 855166768 /nfs/dbraw/zinc/16/67/68/855166768.db2.gz WNVSTFZODOGBPY-UHFFFAOYSA-N 1 0 399.564 3.613 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000106036226 855170549 /nfs/dbraw/zinc/17/05/49/855170549.db2.gz TUKVMDXCWJNBKZ-UHFFFAOYSA-N 1 0 379.342 3.883 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2C)CC1 ZINC000106323937 855217447 /nfs/dbraw/zinc/21/74/47/855217447.db2.gz ITDBEHMAVGWURD-QGZVFWFLSA-N 1 0 386.540 3.685 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC(=O)NC1CCCCC1 ZINC000330201505 862658686 /nfs/dbraw/zinc/65/86/86/862658686.db2.gz XWQYCGIQXGYLAG-XLIONFOSSA-N 1 0 386.540 3.690 20 30 GHEDRO N#CC1(CC(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000590153671 855300539 /nfs/dbraw/zinc/30/05/39/855300539.db2.gz QBJZWPFTWXMYEH-UHFFFAOYSA-N 1 0 388.515 3.637 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590194657 855316547 /nfs/dbraw/zinc/31/65/47/855316547.db2.gz BNHBDSXHCRPPCI-DOMZBBRYSA-N 1 0 393.256 3.550 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000624124228 862671406 /nfs/dbraw/zinc/67/14/06/862671406.db2.gz AQJDPIXULNGGKP-IFMALSPDSA-N 1 0 397.563 3.523 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1C ZINC000441490409 855375532 /nfs/dbraw/zinc/37/55/32/855375532.db2.gz VUQQZCRVFKAWCK-NRFANRHFSA-N 1 0 383.536 3.974 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCC1 ZINC000184655066 855469663 /nfs/dbraw/zinc/46/96/63/855469663.db2.gz JRSUYMPKJIFJII-AEFFLSMTSA-N 1 0 398.551 3.524 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000330242311 862687883 /nfs/dbraw/zinc/68/78/83/862687883.db2.gz GDNCAANIQUJKHS-NHYWBVRUSA-N 1 0 395.297 3.865 20 30 GHEDRO N#Cc1cc2c(nc1N[C@@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCOC2 ZINC000590696925 855551518 /nfs/dbraw/zinc/55/15/18/855551518.db2.gz NBAZXVKEJRGTJT-AVCGJXAMSA-N 1 0 388.515 3.739 20 30 GHEDRO O=C(C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000330249028 862693180 /nfs/dbraw/zinc/69/31/80/862693180.db2.gz ZQHDUYLADKDXRS-FCSDKFEESA-N 1 0 390.568 3.962 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1 ZINC000107821711 855561737 /nfs/dbraw/zinc/56/17/37/855561737.db2.gz HHOATGQJJVGQLJ-SFHVURJKSA-N 1 0 391.487 3.546 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000330250120 862694287 /nfs/dbraw/zinc/69/42/87/862694287.db2.gz HATXJKAHKUEVBS-GOSISDBHSA-N 1 0 377.916 3.932 20 30 GHEDRO Cc1[nH+]c(CN=Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c2ccccn12 ZINC000733080194 862696561 /nfs/dbraw/zinc/69/65/61/862696561.db2.gz GVKZHSOSMXPDRS-UHFFFAOYSA-N 1 0 397.364 3.960 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401306 855636829 /nfs/dbraw/zinc/63/68/29/855636829.db2.gz JTQDTAHPDYPSAB-OXJNMPFZSA-N 1 0 376.928 3.675 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000330267926 862706961 /nfs/dbraw/zinc/70/69/61/862706961.db2.gz IJCORIWVJSLVLQ-SFHVURJKSA-N 1 0 377.916 3.932 20 30 GHEDRO C=CCC[C@H](NC(=O)CCN1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441593423 855700802 /nfs/dbraw/zinc/70/08/02/855700802.db2.gz TYBIMDOFQACAJT-IBGZPJMESA-N 1 0 397.485 3.857 20 30 GHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ccc(Cl)c(C#N)n3)CC2)c1C ZINC000301558288 855715442 /nfs/dbraw/zinc/71/54/42/855715442.db2.gz XGMKDKFHGRAKAR-UHFFFAOYSA-N 1 0 399.926 3.728 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3c(C#N)cnc4ccccc43)C2)cc(OC)c1 ZINC000301589921 855720241 /nfs/dbraw/zinc/72/02/41/855720241.db2.gz YIHXFLLBDDKTPM-GOSISDBHSA-N 1 0 388.471 3.810 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cc2)C1 ZINC000301622614 855728497 /nfs/dbraw/zinc/72/84/97/855728497.db2.gz FVTPOZQQBNMVCH-IYBDPMFKSA-N 1 0 379.464 3.951 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CCO[C@H](c3ccc(OC)cc3)C1)C2 ZINC001168644458 855735356 /nfs/dbraw/zinc/73/53/56/855735356.db2.gz RFMRCGFDRFLISS-JCTONOIOSA-N 1 0 398.547 3.948 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301840675 855768383 /nfs/dbraw/zinc/76/83/83/855768383.db2.gz AZOHKFAHGCZCHB-VQTJNVASSA-N 1 0 390.462 3.601 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)cc1OC ZINC000282305947 855794374 /nfs/dbraw/zinc/79/43/74/855794374.db2.gz SCMHBFCGJXBVQP-UHFFFAOYSA-N 1 0 382.382 3.886 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000330283687 862721310 /nfs/dbraw/zinc/72/13/10/862721310.db2.gz WKLWFLDHVGWNBL-HXUWFJFHSA-N 1 0 381.524 3.704 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000302046575 855806231 /nfs/dbraw/zinc/80/62/31/855806231.db2.gz LBULMGDDWGCLKF-IBGZPJMESA-N 1 0 392.890 3.939 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000302211556 855840739 /nfs/dbraw/zinc/84/07/39/855840739.db2.gz MRYWUJZMPOXXAN-UHFFFAOYSA-N 1 0 390.365 3.807 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000591277477 855880102 /nfs/dbraw/zinc/88/01/02/855880102.db2.gz PADDRDGUWUAKDB-MSOLQXFVSA-N 1 0 391.475 3.599 20 30 GHEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000591284643 855883928 /nfs/dbraw/zinc/88/39/28/855883928.db2.gz VTEAFOUCINPSCD-RDJZCZTQSA-N 1 0 398.438 3.523 20 30 GHEDRO C[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001272881671 855916104 /nfs/dbraw/zinc/91/61/04/855916104.db2.gz CQNLKPYGLSHTKN-IBGZPJMESA-N 1 0 393.556 3.772 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441672579 855923131 /nfs/dbraw/zinc/92/31/31/855923131.db2.gz FXIIAAKHEGJCDA-OALUTQOASA-N 1 0 398.551 3.779 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000108552558 855935271 /nfs/dbraw/zinc/93/52/71/855935271.db2.gz LILADMSMDDOQRB-CTNGQTDRSA-N 1 0 383.467 3.520 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000591358976 855949999 /nfs/dbraw/zinc/94/99/99/855949999.db2.gz WLFFUQZNTFOTBD-OAQYLSRUSA-N 1 0 380.467 3.551 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591356686 855950192 /nfs/dbraw/zinc/95/01/92/855950192.db2.gz YHBZTOFYLVJIIL-IRBZQWRBSA-N 1 0 388.515 3.974 20 30 GHEDRO CC[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000108716372 855990196 /nfs/dbraw/zinc/99/01/96/855990196.db2.gz WGOHQTRHVCVNEQ-INIZCTEOSA-N 1 0 385.895 3.790 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000303003820 855996109 /nfs/dbraw/zinc/99/61/09/855996109.db2.gz VFYMSFDYIYROSA-IBGZPJMESA-N 1 0 383.561 3.864 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CC2)c(F)c1 ZINC000591531481 856092967 /nfs/dbraw/zinc/09/29/67/856092967.db2.gz BHMNYGLVPXXQCZ-QFIPXVFZSA-N 1 0 380.467 3.811 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCO[C@@H](c3ccc(OC)cc3)C1)C2 ZINC001168655608 856094828 /nfs/dbraw/zinc/09/48/28/856094828.db2.gz ZLKFHOBCLFUULY-CWKRKGSWSA-N 1 0 387.520 3.741 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCO[C@H](c3ccc(OC)cc3)C1)C2 ZINC001168655620 856096353 /nfs/dbraw/zinc/09/63/53/856096353.db2.gz ZLKFHOBCLFUULY-YPIGPJMWSA-N 1 0 387.520 3.741 20 30 GHEDRO CCN(CC)c1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593881857 862761707 /nfs/dbraw/zinc/76/17/07/862761707.db2.gz DPCXRFANDBPRQA-UHFFFAOYSA-N 1 0 390.531 3.799 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000171557235 856183349 /nfs/dbraw/zinc/18/33/49/856183349.db2.gz WPQKMMYBXMKFNJ-OAHLLOKOSA-N 1 0 394.357 3.720 20 30 GHEDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000591762939 856229793 /nfs/dbraw/zinc/22/97/93/856229793.db2.gz LBHIFLNQTIEAOQ-HNAYVOBHSA-N 1 0 392.421 3.904 20 30 GHEDRO CCCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485227273 856248343 /nfs/dbraw/zinc/24/83/43/856248343.db2.gz CIIBANCEGQYVFU-FQEVSTJZSA-N 1 0 393.487 3.641 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)Cc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000109345003 856279554 /nfs/dbraw/zinc/27/95/54/856279554.db2.gz SQTWNVUIZGMFRW-SFHVURJKSA-N 1 0 397.544 3.641 20 30 GHEDRO C#CC[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000888348240 856294193 /nfs/dbraw/zinc/29/41/93/856294193.db2.gz MLYGRKCWLDLSHC-OAHLLOKOSA-N 1 0 375.900 3.690 20 30 GHEDRO CSc1cccc(N(C(=O)Cc2ccc(C#N)cc2)C2CC[NH+](C)CC2)c1 ZINC000171999512 856318198 /nfs/dbraw/zinc/31/81/98/856318198.db2.gz GYFWIFVXGGTROM-UHFFFAOYSA-N 1 0 379.529 3.950 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc(C#N)c(C)n3)ccc21 ZINC000109612177 856343046 /nfs/dbraw/zinc/34/30/46/856343046.db2.gz SJAYGFNBYXDJQF-UHFFFAOYSA-N 1 0 375.476 3.811 20 30 GHEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000591852723 856386814 /nfs/dbraw/zinc/38/68/14/856386814.db2.gz DKICSFXCELNZFN-KRWDZBQOSA-N 1 0 388.895 3.679 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccc(Br)cc32)CC1 ZINC000905550949 856405664 /nfs/dbraw/zinc/40/56/64/856405664.db2.gz LNTWMSDFWQKTOT-GDBMZVCRSA-N 1 0 391.309 3.840 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000573835922 856479958 /nfs/dbraw/zinc/47/99/58/856479958.db2.gz ZENWARNZBHUVNT-AKFKNWHVSA-N 1 0 394.515 3.558 20 30 GHEDRO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086914 856515105 /nfs/dbraw/zinc/51/51/05/856515105.db2.gz IFKSJYPDRULDAK-OAQYLSRUSA-N 1 0 393.531 3.634 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000485467710 856611476 /nfs/dbraw/zinc/61/14/76/856611476.db2.gz SCKPVHBDKHWEBR-QZTJIDSGSA-N 1 0 388.577 3.926 20 30 GHEDRO COc1cc(Br)c(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1OC ZINC001203447907 856628528 /nfs/dbraw/zinc/62/85/28/856628528.db2.gz RRRVAHWXMCTWSY-MRXNPFEDSA-N 1 0 387.277 3.595 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)CC1 ZINC000592075804 856652497 /nfs/dbraw/zinc/65/24/97/856652497.db2.gz XZMRKMVWSPAHGG-UHFFFAOYSA-N 1 0 387.911 3.910 20 30 GHEDRO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1C#N ZINC000592132201 856675144 /nfs/dbraw/zinc/67/51/44/856675144.db2.gz BKCVAXRSFNJOPQ-MXVIHJGJSA-N 1 0 395.459 3.781 20 30 GHEDRO N#Cc1cccc(OCC[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)c1 ZINC000592144412 856695812 /nfs/dbraw/zinc/69/58/12/856695812.db2.gz COFYLGUQHKQXRZ-GOSISDBHSA-N 1 0 380.366 3.549 20 30 GHEDRO C[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000465886507 856769527 /nfs/dbraw/zinc/76/95/27/856769527.db2.gz JKTGTCMPDBEMLS-UEVCKROQSA-N 1 0 390.531 3.988 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000465900010 856834773 /nfs/dbraw/zinc/83/47/73/856834773.db2.gz VNSYPINODPXSPP-PELRDEGISA-N 1 0 398.551 3.622 20 30 GHEDRO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000592524282 856919323 /nfs/dbraw/zinc/91/93/23/856919323.db2.gz XAPFGYIGAOBNSQ-IBGZPJMESA-N 1 0 387.823 3.891 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000063321218 856934437 /nfs/dbraw/zinc/93/44/37/856934437.db2.gz SQQPMRISBJKKDT-UHFFFAOYSA-N 1 0 378.476 3.601 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000330313957 862861307 /nfs/dbraw/zinc/86/13/07/862861307.db2.gz XOQPMCBTXWLMJJ-MOPGFXCFSA-N 1 0 375.561 3.855 20 30 GHEDRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Cc1cccs1 ZINC000173631667 857038807 /nfs/dbraw/zinc/03/88/07/857038807.db2.gz MXFBTLVKFIJXJS-GOSISDBHSA-N 1 0 396.560 3.716 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ccccc3C#N)CC2)cc1 ZINC000173712170 857098748 /nfs/dbraw/zinc/09/87/48/857098748.db2.gz SWFXBHWJONRWQM-UHFFFAOYSA-N 1 0 379.529 3.693 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000112374199 857127397 /nfs/dbraw/zinc/12/73/97/857127397.db2.gz MPXIDJZZBJEBCC-UHFFFAOYSA-N 1 0 389.341 3.969 20 30 GHEDRO C[C@H](Oc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000428193167 857173930 /nfs/dbraw/zinc/17/39/30/857173930.db2.gz PIERIMARHCTGFV-INIZCTEOSA-N 1 0 385.895 3.569 20 30 GHEDRO CC(C)[C@H](CO)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000112657147 857176318 /nfs/dbraw/zinc/17/63/18/857176318.db2.gz HLOAJNPTBCBEED-FQEVSTJZSA-N 1 0 385.895 3.669 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173964216 857188216 /nfs/dbraw/zinc/18/82/16/857188216.db2.gz HRVROTOKTHXDOQ-CABCVRRESA-N 1 0 384.411 3.720 20 30 GHEDRO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)nc1 ZINC000593042058 857195748 /nfs/dbraw/zinc/19/57/48/857195748.db2.gz XBLXUJGQJFGSCQ-OTQYULQBSA-N 1 0 398.551 3.589 20 30 GHEDRO COc1ccc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)nc1 ZINC000593040954 857195811 /nfs/dbraw/zinc/19/58/11/857195811.db2.gz KGJCBBOBTULFBS-GOSISDBHSA-N 1 0 392.503 3.605 20 30 GHEDRO Cc1ccccc1-n1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cn1 ZINC000592366155 857204337 /nfs/dbraw/zinc/20/43/37/857204337.db2.gz XXSCGFUZYPMFBI-UHFFFAOYSA-N 1 0 387.487 3.927 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C#N)c1C ZINC000246188747 857275237 /nfs/dbraw/zinc/27/52/37/857275237.db2.gz SUTUELBYXYNOFW-HKUYNNGSSA-N 1 0 386.540 3.539 20 30 GHEDRO COCC[N@@H+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C(C)(C)C1 ZINC000593100226 857325334 /nfs/dbraw/zinc/32/53/34/857325334.db2.gz FVGZUAWDRLVDIL-UHFFFAOYSA-N 1 0 391.559 3.929 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174523547 857336408 /nfs/dbraw/zinc/33/64/08/857336408.db2.gz VJXNNTCQTIWRCX-LJQANCHMSA-N 1 0 393.487 3.678 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC2(C#N)CCCC2)CC1 ZINC000593136272 857358939 /nfs/dbraw/zinc/35/89/39/857358939.db2.gz SBKGSGJKEFKTKT-UHFFFAOYSA-N 1 0 389.931 3.687 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2cccc(C#N)c2)c2cccs2)CC1 ZINC000042310987 857380381 /nfs/dbraw/zinc/38/03/81/857380381.db2.gz MWJPCIDVMVQOHV-IBGZPJMESA-N 1 0 382.533 3.892 20 30 GHEDRO C=CC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938300 857421783 /nfs/dbraw/zinc/42/17/83/857421783.db2.gz SLYPVRXCHDPJDH-CQSZACIVSA-N 1 0 397.866 3.794 20 30 GHEDRO CCCc1c(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cnn1-c1ccc(C)cc1 ZINC000330328273 862909836 /nfs/dbraw/zinc/90/98/36/862909836.db2.gz LOAMJGALEGVMMC-UWJYYQICSA-N 1 0 381.524 3.705 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000042807120 857441559 /nfs/dbraw/zinc/44/15/59/857441559.db2.gz MNKCGDDNPJOAPC-MRXNPFEDSA-N 1 0 398.457 3.815 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccncc2OCC(F)(F)F)cc(OC)c1O ZINC000282223790 857449593 /nfs/dbraw/zinc/44/95/93/857449593.db2.gz MVLASDGWFGRYNW-UHFFFAOYSA-N 1 0 382.382 3.755 20 30 GHEDRO CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCc1ccc(C#N)cc1 ZINC000175154514 857451208 /nfs/dbraw/zinc/45/12/08/857451208.db2.gz BDNUORDHELNZFL-UHFFFAOYSA-N 1 0 388.471 3.783 20 30 GHEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000486179079 857518470 /nfs/dbraw/zinc/51/84/70/857518470.db2.gz SHSRSLGOOSGOLX-KSSFIOAISA-N 1 0 383.879 3.927 20 30 GHEDRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCCC#N ZINC001129029356 857520799 /nfs/dbraw/zinc/52/07/99/857520799.db2.gz OBLFRQSIZAJKAW-CQSZACIVSA-N 1 0 393.329 3.612 20 30 GHEDRO CC[NH+](CC)[C@@H](C/N=C/c1c(O)c(C)ncc1CO)c1ccccc1Cl ZINC000005111046 857544518 /nfs/dbraw/zinc/54/45/18/857544518.db2.gz WFYMITPLPQBVQD-QKXOWGBTSA-N 1 0 375.900 3.743 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000113557471 857567096 /nfs/dbraw/zinc/56/70/96/857567096.db2.gz NDOVGXCARYGHJV-SFHVURJKSA-N 1 0 392.503 3.888 20 30 GHEDRO C=CCSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000486249826 857580083 /nfs/dbraw/zinc/58/00/83/857580083.db2.gz KPAJOSWHVFIUSS-PKOBYXMFSA-N 1 0 376.566 3.832 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510550 857591381 /nfs/dbraw/zinc/59/13/81/857591381.db2.gz NKVHBPMJRDHROD-UHFFFAOYSA-N 1 0 394.544 3.982 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593527495 857592797 /nfs/dbraw/zinc/59/27/97/857592797.db2.gz XKORGQAPGODUAI-UHFFFAOYSA-N 1 0 399.560 3.808 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000442215694 857631237 /nfs/dbraw/zinc/63/12/37/857631237.db2.gz LLJQWNCDXDXLMC-UHFFFAOYSA-N 1 0 392.381 3.840 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442217533 857632234 /nfs/dbraw/zinc/63/22/34/857632234.db2.gz RUPMELOVLTXUAM-HNNXBMFYSA-N 1 0 384.402 3.795 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000574295258 857686609 /nfs/dbraw/zinc/68/66/09/857686609.db2.gz KKZRMXHXTMFFMK-QFIPXVFZSA-N 1 0 375.451 3.929 20 30 GHEDRO COc1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc(OC)c1O ZINC000574305507 857690101 /nfs/dbraw/zinc/69/01/01/857690101.db2.gz PIFDWOSILIFUOK-UHFFFAOYSA-N 1 0 382.460 3.761 20 30 GHEDRO COc1cc(F)c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000574403305 857785695 /nfs/dbraw/zinc/78/56/95/857785695.db2.gz AGCNLQMCSUBGCY-MRXNPFEDSA-N 1 0 387.430 3.612 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000521241272 857786825 /nfs/dbraw/zinc/78/68/25/857786825.db2.gz FKBCDFLGNQDNLM-UHFFFAOYSA-N 1 0 377.554 3.658 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1F ZINC000466025796 857873049 /nfs/dbraw/zinc/87/30/49/857873049.db2.gz KJLXRTWVGIQYMB-IRLDBZIGSA-N 1 0 394.494 3.869 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000486616538 857916950 /nfs/dbraw/zinc/91/69/50/857916950.db2.gz GPJZSJLBKHTHAV-MAUKXSAKSA-N 1 0 390.325 3.785 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000439010767 858032395 /nfs/dbraw/zinc/03/23/95/858032395.db2.gz XOEATRXFURTTIW-UDDICAGYSA-N 1 0 389.927 3.802 20 30 GHEDRO CCOc1cc(Br)c(NC(=O)[C@H]([NH3+])CCCCC#N)cc1OCC ZINC000594431882 858175333 /nfs/dbraw/zinc/17/53/33/858175333.db2.gz ROMUQPMBJOLLRS-CYBMUJFWSA-N 1 0 398.301 3.596 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000594434552 858177500 /nfs/dbraw/zinc/17/75/00/858177500.db2.gz OTZZGZXDOVMEKE-SNVBAGLBSA-N 1 0 399.339 3.984 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C#N)cc3)C2)cc(OC)c1 ZINC000594497279 858192146 /nfs/dbraw/zinc/19/21/46/858192146.db2.gz GCSZNFDJCLREIE-OAQYLSRUSA-N 1 0 393.531 3.869 20 30 GHEDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594918643 858304141 /nfs/dbraw/zinc/30/41/41/858304141.db2.gz RGLMQGLCNNIJRV-UHFFFAOYSA-N 1 0 397.544 3.608 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H](O)COc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000594919371 858304385 /nfs/dbraw/zinc/30/43/85/858304385.db2.gz YQKARUYWKYKZKP-SFHVURJKSA-N 1 0 390.405 3.790 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000594939208 858339644 /nfs/dbraw/zinc/33/96/44/858339644.db2.gz RLNOBIUOCSNRAB-KITAHSCOSA-N 1 0 393.487 3.601 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)cc2)CC1 ZINC000594942615 858341860 /nfs/dbraw/zinc/34/18/60/858341860.db2.gz KJJQXDGVXBHGOB-FQEVSTJZSA-N 1 0 387.462 3.744 20 30 GHEDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000594962702 858347614 /nfs/dbraw/zinc/34/76/14/858347614.db2.gz GADFCAAXVXIWIF-BPUDTRNYSA-N 1 0 394.515 3.793 20 30 GHEDRO C=CCCn1cc(C[NH2+]C[C@H](c2ccccc2)N2CCc3sccc3C2)nn1 ZINC000657311039 858485156 /nfs/dbraw/zinc/48/51/56/858485156.db2.gz GQMWWLRZSIRKRM-OAQYLSRUSA-N 1 0 393.560 3.805 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000595363467 858518074 /nfs/dbraw/zinc/51/80/74/858518074.db2.gz CNJDLGBFNKIXFH-IBGZPJMESA-N 1 0 380.467 3.774 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000595423515 858525936 /nfs/dbraw/zinc/52/59/36/858525936.db2.gz CFHSZZDENNGUNT-HXUWFJFHSA-N 1 0 391.519 3.832 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115439696 858530835 /nfs/dbraw/zinc/53/08/35/858530835.db2.gz KQZIZJNYMAMTRT-HXUWFJFHSA-N 1 0 377.488 3.551 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ncc(-c4cccs4)o3)CC2)cc1 ZINC000067376244 858543389 /nfs/dbraw/zinc/54/33/89/858543389.db2.gz OGCIDINOTLFVGO-UHFFFAOYSA-N 1 0 378.501 3.983 20 30 GHEDRO Cn1cc([C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C2(CO)CCC2)cn1 ZINC000595492441 858544978 /nfs/dbraw/zinc/54/49/78/858544978.db2.gz HKWJXOUPJWFJSG-QHCPKHFHSA-N 1 0 386.499 3.952 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Br)s1 ZINC000443316101 858557725 /nfs/dbraw/zinc/55/77/25/858557725.db2.gz FQSZFFQQTQFPSI-GFCCVEGCSA-N 1 0 384.343 3.846 20 30 GHEDRO CC(C)(C)OC(=O)CC1([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000595540705 858560805 /nfs/dbraw/zinc/56/08/05/858560805.db2.gz PRXUZUSZXPKEPI-UHFFFAOYSA-N 1 0 397.437 3.928 20 30 GHEDRO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC000595626158 858621496 /nfs/dbraw/zinc/62/14/96/858621496.db2.gz MQGOWMSPWARKCA-PKTZIBPZSA-N 1 0 375.516 3.573 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634515 858625302 /nfs/dbraw/zinc/62/53/02/858625302.db2.gz XQGMLHITUHFGRS-UHFFFAOYSA-N 1 0 382.533 3.778 20 30 GHEDRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@H](CC#N)C3)ccc2c1 ZINC000595613307 858631299 /nfs/dbraw/zinc/63/12/99/858631299.db2.gz AJDLSMWYRCMBCV-ZWKOTPCHSA-N 1 0 379.504 3.821 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639274843 858666368 /nfs/dbraw/zinc/66/63/68/858666368.db2.gz KUUCEXAFOQSASQ-NQYYFHDYSA-N 1 0 379.342 3.765 20 30 GHEDRO CC(C)(C)OCCCC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595733679 858668699 /nfs/dbraw/zinc/66/86/99/858668699.db2.gz OOWQHHXXBKTBKP-UHFFFAOYSA-N 1 0 381.524 3.666 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000595749723 858673951 /nfs/dbraw/zinc/67/39/51/858673951.db2.gz GVERBFCBUPTONX-DEOSSOPVSA-N 1 0 392.499 3.883 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000595819921 858682728 /nfs/dbraw/zinc/68/27/28/858682728.db2.gz RDERVBWNOBBMJN-VEZWFGLTSA-N 1 0 375.488 3.837 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1Cl ZINC000595775762 858684211 /nfs/dbraw/zinc/68/42/11/858684211.db2.gz XXZVSHIDZBIJNQ-MRXNPFEDSA-N 1 0 397.906 3.684 20 30 GHEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000595777899 858684394 /nfs/dbraw/zinc/68/43/94/858684394.db2.gz LUBJLEUVMIYMDC-IRXDYDNUSA-N 1 0 375.900 3.866 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)c1cccc(Cl)c1 ZINC000595791032 858689908 /nfs/dbraw/zinc/68/99/08/858689908.db2.gz TUPBMDRPXNMMKL-FXAWDEMLSA-N 1 0 389.927 3.868 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595828659 858701424 /nfs/dbraw/zinc/70/14/24/858701424.db2.gz LQOHSGDJIQGZIS-OAHLLOKOSA-N 1 0 381.259 3.576 20 30 GHEDRO COCC1([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCCC1 ZINC000595909457 858715480 /nfs/dbraw/zinc/71/54/80/858715480.db2.gz ODZVYPLHYHHBSU-INIZCTEOSA-N 1 0 375.538 3.958 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3nc4ncccc4cc3C#N)CC2)cc1 ZINC000596095470 858781939 /nfs/dbraw/zinc/78/19/39/858781939.db2.gz ORSWCWOSXHKRRF-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO C=CCCCCNC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000474077303 858782523 /nfs/dbraw/zinc/78/25/23/858782523.db2.gz FGMNHBLGXKSYAE-UHFFFAOYSA-N 1 0 388.556 3.669 20 30 GHEDRO CC(C)(NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000596118983 858783938 /nfs/dbraw/zinc/78/39/38/858783938.db2.gz IWDVYGAOGNFWOG-UHFFFAOYSA-N 1 0 390.531 3.800 20 30 GHEDRO CC(C)c1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(O)c(=O)c1 ZINC000596212347 858816724 /nfs/dbraw/zinc/81/67/24/858816724.db2.gz OLIZZPDZFGELCU-UHFFFAOYSA-N 1 0 378.472 3.791 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000183964452 858848130 /nfs/dbraw/zinc/84/81/30/858848130.db2.gz UFBGZHWSHULOFO-UHFFFAOYSA-N 1 0 398.551 3.744 20 30 GHEDRO CO[C@@H](Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000596317943 858856400 /nfs/dbraw/zinc/85/64/00/858856400.db2.gz VVLLFONSYBIYFW-DEOSSOPVSA-N 1 0 399.494 3.666 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1)C(C)C ZINC000522228036 858865871 /nfs/dbraw/zinc/86/58/71/858865871.db2.gz SEMIWCJGAHQXRU-IRLDBZIGSA-N 1 0 385.552 3.893 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1OC ZINC000922966086 858897515 /nfs/dbraw/zinc/89/75/15/858897515.db2.gz FCFCJBZNXPEWDH-UHFFFAOYSA-N 1 0 379.504 3.638 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1ccccc1 ZINC000556997064 881371810 /nfs/dbraw/zinc/37/18/10/881371810.db2.gz JNYZYNKNIYCETE-BPQIPLTHSA-N 1 0 376.460 3.860 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000922217242 859028998 /nfs/dbraw/zinc/02/89/98/859028998.db2.gz NDKSSCQLASDGHG-WMZHIEFXSA-N 1 0 377.536 3.614 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596733983 859032401 /nfs/dbraw/zinc/03/24/01/859032401.db2.gz MDLWUAKSUKLKSL-SJORKVTESA-N 1 0 390.553 3.513 20 30 GHEDRO CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000596728028 859058228 /nfs/dbraw/zinc/05/82/28/859058228.db2.gz OAIGOONSBXACFM-LJQANCHMSA-N 1 0 396.466 3.834 20 30 GHEDRO C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000189009617 881384263 /nfs/dbraw/zinc/38/42/63/881384263.db2.gz OZWUVDYJXJFOSS-HXUWFJFHSA-N 1 0 379.932 3.952 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)[NH+](C)C ZINC000596899285 859135316 /nfs/dbraw/zinc/13/53/16/859135316.db2.gz DKFZGUZINVFGCW-HNNXBMFYSA-N 1 0 382.512 3.503 20 30 GHEDRO [NH2+]=C(NCC1CCN(CC(F)(F)F)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000187127083 859169040 /nfs/dbraw/zinc/16/90/40/859169040.db2.gz YAHVQHXSTHVGJD-UHFFFAOYSA-N 1 0 398.351 3.586 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(C#N)CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000601390779 859236972 /nfs/dbraw/zinc/23/69/72/859236972.db2.gz HSICLDNUCVWNNR-WMLDXEAASA-N 1 0 375.875 3.672 20 30 GHEDRO N#CC1(NC(=O)c2cccc3cc(O)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000601412903 859245244 /nfs/dbraw/zinc/24/52/44/859245244.db2.gz QKNVMAOJNCZISU-UHFFFAOYSA-N 1 0 385.467 3.834 20 30 GHEDRO Cc1ncsc1-c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000597086915 859276564 /nfs/dbraw/zinc/27/65/64/859276564.db2.gz OJCIGWQVKBTJDB-UHFFFAOYSA-N 1 0 375.501 3.707 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](c3ccccc3)C3CC3)CC2)c1 ZINC000593299419 859342491 /nfs/dbraw/zinc/34/24/91/859342491.db2.gz AHTZTTTXFHUAEY-HSZRJFAPSA-N 1 0 388.515 3.973 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](CN4CCCC4=O)C3)c2)c1 ZINC000597227235 859361963 /nfs/dbraw/zinc/36/19/63/859361963.db2.gz BJHHDHAIDVGCDN-QFIPXVFZSA-N 1 0 389.499 3.582 20 30 GHEDRO CC(C)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCC(C)CC1 ZINC000543350699 859362979 /nfs/dbraw/zinc/36/29/79/859362979.db2.gz DXQUWGVBWIZKTA-QFIPXVFZSA-N 1 0 382.552 3.989 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000543674412 859364536 /nfs/dbraw/zinc/36/45/36/859364536.db2.gz TUXFSSJJRUVXDE-MDMXATFFSA-N 1 0 398.551 3.620 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597320091 859453560 /nfs/dbraw/zinc/45/35/60/859453560.db2.gz JIJBBTXSUCGTFG-KRWDZBQOSA-N 1 0 383.442 3.821 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170360230 881424131 /nfs/dbraw/zinc/42/41/31/881424131.db2.gz SXQCKBUYXLRKOM-GWQJPBPXSA-N 1 0 381.520 3.990 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597388565 859496831 /nfs/dbraw/zinc/49/68/31/859496831.db2.gz QODSSVMVTDRJNR-HNNXBMFYSA-N 1 0 375.463 3.953 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000138701184 859501076 /nfs/dbraw/zinc/50/10/76/859501076.db2.gz UVXQPMGGAKKWPU-KRWDZBQOSA-N 1 0 395.528 3.556 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CSc3ccc(F)cc3)CC2)c1 ZINC000593352078 859532779 /nfs/dbraw/zinc/53/27/79/859532779.db2.gz CEVQIBBABXSGTD-UHFFFAOYSA-N 1 0 383.492 3.570 20 30 GHEDRO CN1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440227 859551775 /nfs/dbraw/zinc/55/17/75/859551775.db2.gz DWGRYEVRSHXWLG-ZWKOTPCHSA-N 1 0 393.796 3.804 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000593354589 859555877 /nfs/dbraw/zinc/55/58/77/859555877.db2.gz TXZVZSSJRIRLOY-LJQANCHMSA-N 1 0 387.527 3.834 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000764698617 859571914 /nfs/dbraw/zinc/57/19/14/859571914.db2.gz BEGYJEVSGUWHSE-HYBUGGRVSA-N 1 0 378.516 3.731 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000922329737 859616837 /nfs/dbraw/zinc/61/68/37/859616837.db2.gz LCFFPCPFFQTFQA-GUDVDZBRSA-N 1 0 376.541 3.717 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCC1(F)F)C2 ZINC000593370664 859646770 /nfs/dbraw/zinc/64/67/70/859646770.db2.gz KEDOUMMXQJVSOA-FQEVSTJZSA-N 1 0 381.426 3.558 20 30 GHEDRO C[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC12CCCCC2 ZINC000764955278 859697245 /nfs/dbraw/zinc/69/72/45/859697245.db2.gz OMLJHISVQKCDTR-SFHVURJKSA-N 1 0 394.519 3.572 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611346124 859721807 /nfs/dbraw/zinc/72/18/07/859721807.db2.gz BKSMRSXNMGOVQJ-UHFFFAOYSA-N 1 0 379.552 3.996 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccc4ncccc4c3)CC2)c1 ZINC000593398831 859731488 /nfs/dbraw/zinc/73/14/88/859731488.db2.gz XFIOSOAFIMVYPD-UHFFFAOYSA-N 1 0 399.498 3.570 20 30 GHEDRO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000611389373 859733159 /nfs/dbraw/zinc/73/31/59/859733159.db2.gz UYNMVMFMOGUWRN-AWEZNQCLSA-N 1 0 392.484 3.980 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)c1cccc(C#N)c1 ZINC000611389078 859733229 /nfs/dbraw/zinc/73/32/29/859733229.db2.gz PYDQUDMDWLPKRH-QGZVFWFLSA-N 1 0 377.488 3.847 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611389349 859733275 /nfs/dbraw/zinc/73/32/75/859733275.db2.gz TZBZMWRUKFYGHK-KRWDZBQOSA-N 1 0 376.460 3.554 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4cc(C#N)ccc43)C2)cc(OC)c1 ZINC000611393856 859735808 /nfs/dbraw/zinc/73/58/08/859735808.db2.gz PHYITHHUDRXLCO-HYBUGGRVSA-N 1 0 391.515 3.817 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000611396095 859736604 /nfs/dbraw/zinc/73/66/04/859736604.db2.gz PRNQUJHSVICDCK-OAHLLOKOSA-N 1 0 377.271 3.884 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000611391229 859741528 /nfs/dbraw/zinc/74/15/28/859741528.db2.gz FQAIRQMKJSSJEH-YADHBBJMSA-N 1 0 375.472 3.843 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)C1CCCCC1 ZINC000611433628 859753209 /nfs/dbraw/zinc/75/32/09/859753209.db2.gz FUMBJEZCWIIFPG-FQEVSTJZSA-N 1 0 388.556 3.900 20 30 GHEDRO COCCn1ncc2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000611482548 859773956 /nfs/dbraw/zinc/77/39/56/859773956.db2.gz DHUHSRDSMMYJDQ-UHFFFAOYSA-N 1 0 389.503 3.631 20 30 GHEDRO Cc1ccc(OCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000611498577 859785719 /nfs/dbraw/zinc/78/57/19/859785719.db2.gz MFZRTDJTCAKMHZ-UHFFFAOYSA-N 1 0 391.515 3.829 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CCC[C@H](C4CC4)C3)CC2)c1 ZINC000593419406 859794920 /nfs/dbraw/zinc/79/49/20/859794920.db2.gz RNEADPKSUSBCJK-RBBKRZOGSA-N 1 0 380.536 3.791 20 30 GHEDRO CC(C)(C)OCCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530687 859802144 /nfs/dbraw/zinc/80/21/44/859802144.db2.gz SARSGVABBGJHGT-SFHVURJKSA-N 1 0 394.357 3.837 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465590017 859876788 /nfs/dbraw/zinc/87/67/88/859876788.db2.gz CRXJAKPICXCVFW-FCEUIQTBSA-N 1 0 382.552 3.980 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465590018 859877275 /nfs/dbraw/zinc/87/72/75/859877275.db2.gz CRXJAKPICXCVFW-HJNYFJLDSA-N 1 0 382.552 3.980 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC000840272536 859911761 /nfs/dbraw/zinc/91/17/61/859911761.db2.gz ZRDQUGOTSJTREI-UHFFFAOYSA-N 1 0 394.906 3.826 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2cc(Cl)ccc2C#N)CC1 ZINC000474383661 859971639 /nfs/dbraw/zinc/97/16/39/859971639.db2.gz DLLKJVDNDWDDKN-UHFFFAOYSA-N 1 0 397.906 3.633 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)NCC(C)(C)CCC#N)[NH+]1CCCCC1 ZINC000484373730 859977391 /nfs/dbraw/zinc/97/73/91/859977391.db2.gz UYFKOIUJASMKSP-IBGZPJMESA-N 1 0 386.540 3.851 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000555076086 859982545 /nfs/dbraw/zinc/98/25/45/859982545.db2.gz FLMMPBTYECKUAN-HXUWFJFHSA-N 1 0 387.405 3.934 20 30 GHEDRO CC(N=Nc1ccc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000727262866 860019470 /nfs/dbraw/zinc/01/94/70/860019470.db2.gz AVQKVMKPBLXWEH-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1[nH]nc(C(C)C)c1Br)C(C)C ZINC000598109741 860055409 /nfs/dbraw/zinc/05/54/09/860055409.db2.gz RZVIHWGSEUOGJV-CQSZACIVSA-N 1 0 397.361 3.724 20 30 GHEDRO COc1ccc(C)cc1C1(C[NH2+][C@H](C)CC2(C#N)CCOCC2)CCOCC1 ZINC000602519812 860072724 /nfs/dbraw/zinc/07/27/24/860072724.db2.gz BCQWUHBLKIOVHT-LJQANCHMSA-N 1 0 386.536 3.740 20 30 GHEDRO Cc1ccc(CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C2CC2)o1 ZINC000593511454 860073304 /nfs/dbraw/zinc/07/33/04/860073304.db2.gz ZLPZDVVKQRYOAT-UHFFFAOYSA-N 1 0 392.503 3.798 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCc4ccc(Cl)cc43)CC2)c1 ZINC000593511604 860074490 /nfs/dbraw/zinc/07/44/90/860074490.db2.gz MPBCAJCLJLQDKB-UHFFFAOYSA-N 1 0 394.906 3.948 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484515162 860092603 /nfs/dbraw/zinc/09/26/03/860092603.db2.gz ONKKTTPZRNTSAJ-UHFFFAOYSA-N 1 0 384.402 3.797 20 30 GHEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000602569202 860119920 /nfs/dbraw/zinc/11/99/20/860119920.db2.gz NTCBYGMHKNVZQJ-OAHLLOKOSA-N 1 0 375.469 3.656 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(CCc3c(Cl)cccc3Cl)no1)C2 ZINC000904104810 860128984 /nfs/dbraw/zinc/12/89/84/860128984.db2.gz YLUOHYSEMAKLPO-LASWEOPPSA-N 1 0 377.275 3.768 20 30 GHEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000602591300 860131631 /nfs/dbraw/zinc/13/16/31/860131631.db2.gz YOWRGBIYWMRZGA-VLIAUNLRSA-N 1 0 392.471 3.987 20 30 GHEDRO CC1(C2CC2)CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593518473 860161261 /nfs/dbraw/zinc/16/12/61/860161261.db2.gz WFRRABDTYDORPY-UHFFFAOYSA-N 1 0 380.536 3.744 20 30 GHEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000602630411 860183302 /nfs/dbraw/zinc/18/33/02/860183302.db2.gz PGUQCEBZZAXMCV-AWEZNQCLSA-N 1 0 383.330 3.970 20 30 GHEDRO C[C@H](CCC#N)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000602630412 860183486 /nfs/dbraw/zinc/18/34/86/860183486.db2.gz PGUQCEBZZAXMCV-CQSZACIVSA-N 1 0 383.330 3.970 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508944679 860187663 /nfs/dbraw/zinc/18/76/63/860187663.db2.gz GLOCUIBCMCLRPA-QGZVFWFLSA-N 1 0 378.524 3.781 20 30 GHEDRO COc1cccnc1N1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170394809 881514705 /nfs/dbraw/zinc/51/47/05/881514705.db2.gz BAIHMDZVYXZCNE-UHFFFAOYSA-N 1 0 376.504 3.616 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](Cn4cnc5ccccc54)C3)o2)c1 ZINC000602821741 860312702 /nfs/dbraw/zinc/31/27/02/860312702.db2.gz XZSFERDZKTUAII-SFHVURJKSA-N 1 0 398.470 3.870 20 30 GHEDRO COc1ccc(CN(C(=O)CN[C@@H](C)CC#N)[C@H](C)Cc2cccs2)cc1 ZINC000602860922 860318229 /nfs/dbraw/zinc/31/82/29/860318229.db2.gz DXWMNEPWJBVMGH-DLBZAZTESA-N 1 0 385.533 3.608 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)CC1 ZINC001170398256 881531468 /nfs/dbraw/zinc/53/14/68/881531468.db2.gz MPPBXFOENMKGBT-ZLHNRXBCSA-N 1 0 388.515 3.680 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CC[C@@H](C)C1 ZINC000484865037 860419549 /nfs/dbraw/zinc/41/95/49/860419549.db2.gz NHHKUUZJCIEFNH-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H](O)CC(C)(C)C#N ZINC000598594636 860437037 /nfs/dbraw/zinc/43/70/37/860437037.db2.gz BMEZRKMSVGBTHO-CQSZACIVSA-N 1 0 376.888 3.903 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000598600218 860440871 /nfs/dbraw/zinc/44/08/71/860440871.db2.gz IOZISTQBKIMMAS-JXFKEZNVSA-N 1 0 397.494 3.958 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4Cc5cccc(Cl)c5C4)C3)CC2=O)c1 ZINC001168732217 860446444 /nfs/dbraw/zinc/44/64/44/860446444.db2.gz QTMLADAOJZAYKB-AUSIDOKSSA-N 1 0 391.902 3.808 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)CC1 ZINC000729975744 860480324 /nfs/dbraw/zinc/48/03/24/860480324.db2.gz RIRQEPYOSKWTPQ-HXUWFJFHSA-N 1 0 397.563 3.539 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508998746 860483158 /nfs/dbraw/zinc/48/31/58/860483158.db2.gz DRDHWIMEGDJISM-FQEVSTJZSA-N 1 0 397.567 3.791 20 30 GHEDRO CC(C)([NH3+])c1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000904577840 860507216 /nfs/dbraw/zinc/50/72/16/860507216.db2.gz RVYMQJYKCHQJHO-UHFFFAOYSA-N 1 0 378.476 3.827 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cc(Br)ccc1Br ZINC000598725544 860530676 /nfs/dbraw/zinc/53/06/76/860530676.db2.gz XFCJFKGDJZQTJX-LBPRGKRZSA-N 1 0 390.119 3.602 20 30 GHEDRO Cc1nc2c(cccc2CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)o1 ZINC000922771893 860575489 /nfs/dbraw/zinc/57/54/89/860575489.db2.gz RNEHSXGIQOIAPI-UHFFFAOYSA-N 1 0 386.459 3.641 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624978437 860590577 /nfs/dbraw/zinc/59/05/77/860590577.db2.gz NVXUHRDIFRPHNP-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@H]([NH+]3CCCC3)C2)c1=S ZINC000170729047 860642421 /nfs/dbraw/zinc/64/24/21/860642421.db2.gz ZGHQYDROTBTQFB-MRXNPFEDSA-N 1 0 387.528 3.534 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)CC1(C#N)CCOCC1 ZINC000598891698 860653327 /nfs/dbraw/zinc/65/33/27/860653327.db2.gz AYSNOJMSZQWWKN-UHFFFAOYSA-N 1 0 383.536 3.598 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000470675897 860676594 /nfs/dbraw/zinc/67/65/94/860676594.db2.gz VHYPDODMHQPQAF-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000125732619 860762197 /nfs/dbraw/zinc/76/21/97/860762197.db2.gz IOPSRWMBDPIGRO-UHFFFAOYSA-N 1 0 376.403 3.817 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593688265 860822501 /nfs/dbraw/zinc/82/25/01/860822501.db2.gz NQPJRWSQTRSQRI-UHFFFAOYSA-N 1 0 385.515 3.807 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000599184097 860887192 /nfs/dbraw/zinc/88/71/92/860887192.db2.gz YJIACKWDVISFCK-UHFFFAOYSA-N 1 0 384.911 3.841 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2(C#N)CCCCC2)CC1 ZINC000155462737 860925634 /nfs/dbraw/zinc/92/56/34/860925634.db2.gz JNPCBMYFZHHLRX-KRWDZBQOSA-N 1 0 386.515 3.619 20 30 GHEDRO Cc1nc2ccc(NC(=O)[C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)cn2n1 ZINC000329000936 860939129 /nfs/dbraw/zinc/93/91/29/860939129.db2.gz LCAUNXJVEZWHJG-XMSQKQJNSA-N 1 0 375.476 3.928 20 30 GHEDRO Cc1nc2ccnn2c(C)c1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000329013308 860947411 /nfs/dbraw/zinc/94/74/11/860947411.db2.gz PHKLLYUDWKOZFQ-UHFFFAOYSA-N 1 0 392.507 3.513 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1OC ZINC000623385962 860971309 /nfs/dbraw/zinc/97/13/09/860971309.db2.gz FBCOYPFRRVLIPP-CYBMUJFWSA-N 1 0 378.822 3.640 20 30 GHEDRO CCC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H]1CCCCO1 ZINC000730261382 860981868 /nfs/dbraw/zinc/98/18/68/860981868.db2.gz IRDHZNXBARNOHZ-ZWKOTPCHSA-N 1 0 378.476 3.505 20 30 GHEDRO COc1ccccc1NC(=O)[C@@H](C)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000329091360 861008612 /nfs/dbraw/zinc/00/86/12/861008612.db2.gz ADBNGNXXIOEDTN-MSOLQXFVSA-N 1 0 399.535 3.786 20 30 GHEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329093500 861011001 /nfs/dbraw/zinc/01/10/01/861011001.db2.gz KERDJJRVHXEKOM-GOSISDBHSA-N 1 0 389.565 3.974 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)NC(=O)NC1CCCCC1 ZINC000329101041 861018679 /nfs/dbraw/zinc/01/86/79/861018679.db2.gz ZPSOUVHLQOLXQX-AABGKKOBSA-N 1 0 385.508 3.694 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1OC ZINC000623444761 861074691 /nfs/dbraw/zinc/07/46/91/861074691.db2.gz QTJWAZUUEUXVPQ-OAHLLOKOSA-N 1 0 391.874 3.816 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000599344644 861079993 /nfs/dbraw/zinc/07/99/93/861079993.db2.gz HEUMZKQRPYLMIW-VXGBXAGGSA-N 1 0 375.271 3.854 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000623469872 861097580 /nfs/dbraw/zinc/09/75/80/861097580.db2.gz UXDUUORAPOYGFP-NRFANRHFSA-N 1 0 384.568 3.505 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000329190517 861122065 /nfs/dbraw/zinc/12/20/65/861122065.db2.gz QBVXEPJXGUXZDX-HXUWFJFHSA-N 1 0 395.551 3.730 20 30 GHEDRO CC[C@H](C)n1nc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1C ZINC000329212391 861151282 /nfs/dbraw/zinc/15/12/82/861151282.db2.gz HUXDSCVLQDVYQT-IVMQYODDSA-N 1 0 375.561 3.953 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1OC ZINC000623526568 861158498 /nfs/dbraw/zinc/15/84/98/861158498.db2.gz HFNKUHJEXNNSER-ZIFCJYIRSA-N 1 0 392.927 3.650 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1OC ZINC000623544221 861164915 /nfs/dbraw/zinc/16/49/15/861164915.db2.gz SWSDGFBFCUZRHC-QAPCUYQASA-N 1 0 391.899 3.657 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733778598 863158933 /nfs/dbraw/zinc/15/89/33/863158933.db2.gz DEBPSVZNSVKHCB-IEBWSBKVSA-N 1 0 394.519 3.977 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475051239 863161890 /nfs/dbraw/zinc/16/18/90/863161890.db2.gz ZSFAYANEWRAFME-VWLOTQADSA-N 1 0 387.527 3.736 20 30 GHEDRO CCCc1c(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439669546 863172224 /nfs/dbraw/zinc/17/22/24/863172224.db2.gz CRLJUGIXCULJFS-QGZVFWFLSA-N 1 0 394.523 3.550 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000733848064 863200973 /nfs/dbraw/zinc/20/09/73/863200973.db2.gz KNJQXNQFYXXORF-SOAMZJECSA-N 1 0 386.540 3.533 20 30 GHEDRO CCCc1c(NC(=O)N(CC[NH+](C)C)C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439697699 863471403 /nfs/dbraw/zinc/47/14/03/863471403.db2.gz TXXZPJSYLYMTBO-UHFFFAOYSA-N 1 0 382.512 3.500 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000262406314 863617047 /nfs/dbraw/zinc/61/70/47/863617047.db2.gz ONYPGYZZRVIWFF-DWLFOUALSA-N 1 0 379.504 3.891 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](CCO)c1ccccc1 ZINC000444236210 863731681 /nfs/dbraw/zinc/73/16/81/863731681.db2.gz IEJOXEGIEKGDNK-IBGZPJMESA-N 1 0 397.544 3.883 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103206981 863911574 /nfs/dbraw/zinc/91/15/74/863911574.db2.gz OGZQFUSBZVSAJD-UHFFFAOYSA-N 1 0 376.460 3.658 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000554254140 863974025 /nfs/dbraw/zinc/97/40/25/863974025.db2.gz RAFMQQKUQGOWFY-UHFFFAOYSA-N 1 0 379.504 3.669 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734300721 864135202 /nfs/dbraw/zinc/13/52/02/864135202.db2.gz TYIBZRSSTNKOSF-GHTZIAJQSA-N 1 0 378.472 3.781 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C(=O)OC)c3n2CCCC3)c1 ZINC000856770910 881733910 /nfs/dbraw/zinc/73/39/10/881733910.db2.gz RGRPKUFVKWQRNT-SFHVURJKSA-N 1 0 381.476 3.582 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CCC1N=Nc1ncnc2sc3c(c21)CCC3 ZINC000734361727 864177576 /nfs/dbraw/zinc/17/75/76/864177576.db2.gz HXJXWPSOXIBVAB-CQSZACIVSA-N 1 0 392.532 3.885 20 30 GHEDRO C=CCCC1(CNC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CCCC1 ZINC000665589054 864179917 /nfs/dbraw/zinc/17/99/17/864179917.db2.gz KWDDYFSSYYLGDC-UHFFFAOYSA-N 1 0 390.616 3.713 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1C#N ZINC000025813902 864312769 /nfs/dbraw/zinc/31/27/69/864312769.db2.gz SJLWBCCSWOMHJP-QGZVFWFLSA-N 1 0 386.546 3.647 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccncc1 ZINC000734653171 864369952 /nfs/dbraw/zinc/36/99/52/864369952.db2.gz BPGVHTVRMCISFV-FGZHOGPDSA-N 1 0 394.519 3.844 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000184360268 864385602 /nfs/dbraw/zinc/38/56/02/864385602.db2.gz SQVXTFMWBBNVEZ-SJORKVTESA-N 1 0 378.476 3.546 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000734865406 864492618 /nfs/dbraw/zinc/49/26/18/864492618.db2.gz NHBSKJOMHPAQQL-LJQANCHMSA-N 1 0 391.515 3.723 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)NC3(c4cccc(C#N)c4)CC3)CC2)CC1 ZINC000554562615 864557682 /nfs/dbraw/zinc/55/76/82/864557682.db2.gz YZYCEUWPEMLFDS-UHFFFAOYSA-N 1 0 380.536 3.890 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000667674240 864630699 /nfs/dbraw/zinc/63/06/99/864630699.db2.gz ZKFYOJFVNUFQBC-SFHVURJKSA-N 1 0 394.313 3.621 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1OC ZINC000475361281 864865143 /nfs/dbraw/zinc/86/51/43/864865143.db2.gz MUHQZQHSUBEBKP-GOSISDBHSA-N 1 0 384.314 3.759 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)COc3cccc(C#N)c3)CCC[N@@H+]2C)cc1 ZINC000735899336 865039297 /nfs/dbraw/zinc/03/92/97/865039297.db2.gz UNISFAWXYVVNDD-XXBNENTESA-N 1 0 394.471 3.572 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)ccc1OC ZINC000792974460 881831182 /nfs/dbraw/zinc/83/11/82/881831182.db2.gz AGOPUNGGGKOEAR-HXUWFJFHSA-N 1 0 394.450 3.991 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000173791337 865074406 /nfs/dbraw/zinc/07/44/06/865074406.db2.gz MRTIRPQKYPSJMC-MSOLQXFVSA-N 1 0 387.499 3.956 20 30 GHEDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1cccc(C#Cc2cccs2)c1 ZINC000608273320 865141816 /nfs/dbraw/zinc/14/18/16/865141816.db2.gz ZNMAOZAIRSDDIU-HXUWFJFHSA-N 1 0 397.544 3.506 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000554928498 865188273 /nfs/dbraw/zinc/18/82/73/865188273.db2.gz PETMOTXZLZCAMZ-CTNGQTDRSA-N 1 0 381.568 3.806 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000554953590 865232833 /nfs/dbraw/zinc/23/28/33/865232833.db2.gz FBRMBMVRUBNJDN-JVPBZIDWSA-N 1 0 381.923 3.627 20 30 GHEDRO COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1F ZINC000063750978 865304645 /nfs/dbraw/zinc/30/46/45/865304645.db2.gz USFKXJLZKBMVJE-UHFFFAOYSA-N 1 0 383.467 3.575 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000171728037 865345585 /nfs/dbraw/zinc/34/55/85/865345585.db2.gz KNJAMXUEKRUNRZ-UHFFFAOYSA-N 1 0 386.323 3.712 20 30 GHEDRO NC(=[NH+]OCc1ccc2ccccc2c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174126530 865434725 /nfs/dbraw/zinc/43/47/25/865434725.db2.gz PUNROOQZPCWARI-UHFFFAOYSA-N 1 0 375.472 3.638 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CCC(C[NH+](C)C)CC2)c1=S ZINC000738076907 865480042 /nfs/dbraw/zinc/48/00/42/865480042.db2.gz PDNPXSHBJVIXOX-UHFFFAOYSA-N 1 0 389.544 3.637 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594240197 865524426 /nfs/dbraw/zinc/52/44/26/865524426.db2.gz ZLPOJESNVBSQIC-QFIPXVFZSA-N 1 0 376.504 3.740 20 30 GHEDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(OCCCC#N)c1 ZINC000121302292 865541227 /nfs/dbraw/zinc/54/12/27/865541227.db2.gz YXXNUXIYPQWWJD-UHFFFAOYSA-N 1 0 379.504 3.838 20 30 GHEDRO CS[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H]1[NH+]1CCCC1 ZINC000444369415 865549001 /nfs/dbraw/zinc/54/90/01/865549001.db2.gz RQWAIOWZRGKLPW-SFTDATJTSA-N 1 0 396.560 3.597 20 30 GHEDRO C=CCCS(=O)(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000480947330 865549206 /nfs/dbraw/zinc/54/92/06/865549206.db2.gz DDUPDJMEHFKINF-INIZCTEOSA-N 1 0 378.460 3.584 20 30 GHEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000189489806 881884514 /nfs/dbraw/zinc/88/45/14/881884514.db2.gz KIOICYXUWSIDBQ-UHFFFAOYSA-N 1 0 381.476 3.670 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)s2)cc1 ZINC000766236285 865622001 /nfs/dbraw/zinc/62/20/01/865622001.db2.gz IUQKNQVUMHEHRW-SFHVURJKSA-N 1 0 395.532 3.744 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000608882550 865788179 /nfs/dbraw/zinc/78/81/79/865788179.db2.gz QYPLHFOLLKOQMM-UHFFFAOYSA-N 1 0 396.516 3.565 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000739858707 865802859 /nfs/dbraw/zinc/80/28/59/865802859.db2.gz PHWAYJCNGPLSBA-FQEVSTJZSA-N 1 0 375.501 3.873 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000739833672 865814316 /nfs/dbraw/zinc/81/43/16/865814316.db2.gz WWGIITUENWXOHV-UHFFFAOYSA-N 1 0 386.503 3.522 20 30 GHEDRO C[N@H+](CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CCCC1 ZINC000740050826 865837645 /nfs/dbraw/zinc/83/76/45/865837645.db2.gz MNQMSKVJDPTMSE-UHFFFAOYSA-N 1 0 382.533 3.960 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555292536 865858105 /nfs/dbraw/zinc/85/81/05/865858105.db2.gz MPXXDZJUMOXEDL-PZJWPPBQSA-N 1 0 393.535 3.595 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccccc3C)CC2)c(C#N)c1C ZINC000609040033 865914572 /nfs/dbraw/zinc/91/45/72/865914572.db2.gz RIDKPNSUZIRIMF-GOSISDBHSA-N 1 0 394.519 3.611 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001142628180 865918162 /nfs/dbraw/zinc/91/81/62/865918162.db2.gz BFBQADLPYHQPFA-DNQXCXABSA-N 1 0 399.538 3.829 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000594350956 865923164 /nfs/dbraw/zinc/92/31/64/865923164.db2.gz XUFDNRBPOOQRJM-YCMKEVRSSA-N 1 0 393.453 3.658 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)NCCC[NH+]3CCCCC3)c2)s1 ZINC000740468211 865937497 /nfs/dbraw/zinc/93/74/97/865937497.db2.gz QMVMCSIJBHMBMA-UHFFFAOYSA-N 1 0 382.533 3.962 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000481185205 865949406 /nfs/dbraw/zinc/94/94/06/865949406.db2.gz WHSAOAIKQAWSGM-OXQOHEQNSA-N 1 0 396.922 3.650 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2SCc2cscn2)CC1 ZINC000740737051 865975214 /nfs/dbraw/zinc/97/52/14/865975214.db2.gz XRJKFHJNGBOPJE-UHFFFAOYSA-N 1 0 385.558 3.653 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1 ZINC000740737855 865976094 /nfs/dbraw/zinc/97/60/94/865976094.db2.gz YADWZVDUOHZPPA-UHFFFAOYSA-N 1 0 386.499 3.551 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)C(=O)N2Cc3ccccc3C2)ccc1OC ZINC000475485315 866004554 /nfs/dbraw/zinc/00/45/54/866004554.db2.gz GWHKILCUAVOQKC-QGZVFWFLSA-N 1 0 380.488 3.671 20 30 GHEDRO CCC[N@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740857451 866043638 /nfs/dbraw/zinc/04/36/38/866043638.db2.gz CZUJICZYDNTEBV-ZCNNSNEGSA-N 1 0 379.508 3.608 20 30 GHEDRO C=CCOc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000121311403 866139571 /nfs/dbraw/zinc/13/95/71/866139571.db2.gz KJKWWHQUTDQPAN-UHFFFAOYSA-N 1 0 382.504 3.729 20 30 GHEDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000475558955 866275598 /nfs/dbraw/zinc/27/55/98/866275598.db2.gz MDXQHTLWZLEARS-OAHLLOKOSA-N 1 0 397.431 3.601 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000741337268 866426210 /nfs/dbraw/zinc/42/62/10/866426210.db2.gz FBRZYIDGCAYEPJ-QGZVFWFLSA-N 1 0 393.487 3.974 20 30 GHEDRO CC[N@@H+]1CCC(N=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000741449487 866524988 /nfs/dbraw/zinc/52/49/88/866524988.db2.gz NEHJLOMHWNQMSH-SECBINFHSA-N 1 0 389.334 3.651 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000741519160 866592835 /nfs/dbraw/zinc/59/28/35/866592835.db2.gz IWARHHWQIZQLNV-HSZRJFAPSA-N 1 0 392.499 3.664 20 30 GHEDRO [NH2+]=C(NC[C@@H]1COC2(CCCCCC2)O1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305828872 866655085 /nfs/dbraw/zinc/65/50/85/866655085.db2.gz NZHGGJCHOJHKMR-OAHLLOKOSA-N 1 0 387.402 3.778 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000553034963 866671035 /nfs/dbraw/zinc/67/10/35/866671035.db2.gz WHEZJCYNUUECRL-QGZVFWFLSA-N 1 0 391.458 3.967 20 30 GHEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc(F)cc2)[n+]2cccc(CO)c2)cc1 ZINC000007611380 866713507 /nfs/dbraw/zinc/71/35/07/866713507.db2.gz UIFPOCQEGACKJG-UHFFFAOYSA-O 1 0 395.479 3.965 20 30 GHEDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000553082236 866778286 /nfs/dbraw/zinc/77/82/86/866778286.db2.gz WLYQJRYWEJHKBI-UHFFFAOYSA-N 1 0 391.431 3.886 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000857118202 882026746 /nfs/dbraw/zinc/02/67/46/882026746.db2.gz GFFRSMCKZFHBSX-SFHVURJKSA-N 1 0 393.572 3.570 20 30 GHEDRO C=CCCOCC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000534509929 866952231 /nfs/dbraw/zinc/95/22/31/866952231.db2.gz AHSOLJUBPYQTOV-UHFFFAOYSA-N 1 0 378.314 3.934 20 30 GHEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000444671991 867041821 /nfs/dbraw/zinc/04/18/21/867041821.db2.gz GQEQJIGZTFHINP-AZUAARDMSA-N 1 0 388.556 3.852 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNc3nc4c(cc3C#N)CCCC4)cc2)CC1 ZINC000553253081 867054331 /nfs/dbraw/zinc/05/43/31/867054331.db2.gz UHQFTGDAGQUACM-UHFFFAOYSA-N 1 0 376.504 3.917 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H](C(C)C)C2)c1C#N ZINC000444772661 867212789 /nfs/dbraw/zinc/21/27/89/867212789.db2.gz XDZLHXVZXAGWAZ-SFHVURJKSA-N 1 0 382.508 3.924 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cc1C#N ZINC000742368938 867239866 /nfs/dbraw/zinc/23/98/66/867239866.db2.gz KYGHYBLTEUGXQU-UHFFFAOYSA-N 1 0 378.501 3.935 20 30 GHEDRO C=CC[C@H]1[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCCC1(C)C ZINC000444790660 867254902 /nfs/dbraw/zinc/25/49/02/867254902.db2.gz JTAGOOQPDHTPLU-OAQYLSRUSA-N 1 0 397.563 3.930 20 30 GHEDRO C=C[C@@H](CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000534674695 867264469 /nfs/dbraw/zinc/26/44/69/867264469.db2.gz AHBGFZUMIVNXFN-SFTDATJTSA-N 1 0 377.532 3.673 20 30 GHEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000183692657 867280626 /nfs/dbraw/zinc/28/06/26/867280626.db2.gz SWJINJMDKMTTJY-IBGZPJMESA-N 1 0 376.909 3.972 20 30 GHEDRO C[C@@H](Oc1cccnc1NC(=O)N(CCC#N)CCC[NH+](C)C)c1ccccc1 ZINC000163227048 867316311 /nfs/dbraw/zinc/31/63/11/867316311.db2.gz JNAHNXRQRVHDNK-GOSISDBHSA-N 1 0 395.507 3.921 20 30 GHEDRO Cc1ccc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000479306112 867512523 /nfs/dbraw/zinc/51/25/23/867512523.db2.gz ATZFZXAPMJOKQI-UHFFFAOYSA-N 1 0 381.907 3.866 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183737893 867540193 /nfs/dbraw/zinc/54/01/93/867540193.db2.gz GYXFJWQETJEWIT-UHFFFAOYSA-N 1 0 380.323 3.704 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000553510816 867565467 /nfs/dbraw/zinc/56/54/67/867565467.db2.gz KOSLGVSCUZXBSN-MGPUTAFESA-N 1 0 392.503 3.577 20 30 GHEDRO CCc1nnc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C#N)c1CC ZINC000553592488 867742467 /nfs/dbraw/zinc/74/24/67/867742467.db2.gz LQSPZNYSHPXAGH-UHFFFAOYSA-N 1 0 379.508 3.558 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000523730600 867860458 /nfs/dbraw/zinc/86/04/58/867860458.db2.gz AJPGYVQEBZHERV-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000523730598 867860919 /nfs/dbraw/zinc/86/09/19/867860919.db2.gz AJPGYVQEBZHERV-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000091685828 882133185 /nfs/dbraw/zinc/13/31/85/882133185.db2.gz GTVZSRHUQVKOEI-PKOBYXMFSA-N 1 0 378.476 3.532 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3cccc(Cl)c3F)CCCC2)C(N)=O)cc1 ZINC000479524637 867920219 /nfs/dbraw/zinc/92/02/19/867920219.db2.gz IHVQEYCSTAMQPV-IBGZPJMESA-N 1 0 385.870 3.979 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000743203263 867925166 /nfs/dbraw/zinc/92/51/66/867925166.db2.gz BUHMVNHUJPKQPV-SFHVURJKSA-N 1 0 387.499 3.958 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000743200333 867951496 /nfs/dbraw/zinc/95/14/96/867951496.db2.gz ADJOCRCEZSUPAI-UHFFFAOYSA-N 1 0 383.467 4.000 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](C)C1 ZINC000122142181 867983567 /nfs/dbraw/zinc/98/35/67/867983567.db2.gz RMGOWRCPGJURRK-JPYJTQIMSA-N 1 0 391.515 3.940 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc(OC)c1O ZINC000190311753 882148569 /nfs/dbraw/zinc/14/85/69/882148569.db2.gz ASHZNGNKXRLCBH-UHFFFAOYSA-N 1 0 398.894 3.962 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000172123596 882171792 /nfs/dbraw/zinc/17/17/92/882171792.db2.gz DQACURQRFSXOOA-GOSISDBHSA-N 1 0 392.503 3.614 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479730409 868405641 /nfs/dbraw/zinc/40/56/41/868405641.db2.gz SMKCLCKCKNKJIU-QFIPXVFZSA-N 1 0 397.519 3.697 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cc(OC)c1O ZINC000535369318 868637359 /nfs/dbraw/zinc/63/73/59/868637359.db2.gz QCPBYAIJUCTYCC-QGZVFWFLSA-N 1 0 381.394 3.971 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669810398 868643047 /nfs/dbraw/zinc/64/30/47/868643047.db2.gz ADGBADCYDLPNMV-JKSUJKDBSA-N 1 0 389.931 3.788 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000524260466 868808533 /nfs/dbraw/zinc/80/85/33/868808533.db2.gz UYOVKLVYHUNTDF-UHFFFAOYSA-N 1 0 398.551 3.764 20 30 GHEDRO COc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1OC ZINC000262804792 882240692 /nfs/dbraw/zinc/24/06/92/882240692.db2.gz NELTZXRPKZLSQL-LSDHHAIUSA-N 1 0 390.281 3.749 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000524519500 869217911 /nfs/dbraw/zinc/21/79/11/869217911.db2.gz RIFJIDGJOKOZJG-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000539492454 869232862 /nfs/dbraw/zinc/23/28/62/869232862.db2.gz WBBLVEHFXWAGCC-QFIPXVFZSA-N 1 0 385.471 3.732 20 30 GHEDRO O=C(OCC(F)(F)C(F)F)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000745024723 869242510 /nfs/dbraw/zinc/24/25/10/869242510.db2.gz YDCCYZKLWDCEHC-CQSZACIVSA-N 1 0 387.295 3.885 20 30 GHEDRO N#CCCCOc1cccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000121798901 882286525 /nfs/dbraw/zinc/28/65/25/882286525.db2.gz RMKVZDPJOIXXJE-UHFFFAOYSA-N 1 0 390.487 3.849 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000524601613 869329145 /nfs/dbraw/zinc/32/91/45/869329145.db2.gz WLOFEWUIDHFTGW-UHFFFAOYSA-N 1 0 375.394 3.778 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000745153010 869340362 /nfs/dbraw/zinc/34/03/62/869340362.db2.gz HSPIKPZHLAZPRL-UHFFFAOYSA-N 1 0 380.492 3.635 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)[C@H](C)O1 ZINC000446074618 869373763 /nfs/dbraw/zinc/37/37/63/869373763.db2.gz SUQPBNGBAAOOMF-KFWWJZLASA-N 1 0 375.538 3.715 20 30 GHEDRO COc1cc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)ccc1C#N ZINC000462470987 869512795 /nfs/dbraw/zinc/51/27/95/869512795.db2.gz GKHDMYNCALBBEM-GOSISDBHSA-N 1 0 398.551 3.753 20 30 GHEDRO CCN1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549113622 869681510 /nfs/dbraw/zinc/68/15/10/869681510.db2.gz LKTGZGWECDAZDL-PZJWPPBQSA-N 1 0 389.421 3.779 20 30 GHEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000539837979 869856916 /nfs/dbraw/zinc/85/69/16/869856916.db2.gz JVBSVHQMCGMMFY-QFIPXVFZSA-N 1 0 377.488 3.997 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000446457147 869876500 /nfs/dbraw/zinc/87/65/00/869876500.db2.gz KXBODKBWZLYDPW-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO CCC(CC)(CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)SC ZINC000745911671 869879505 /nfs/dbraw/zinc/87/95/05/869879505.db2.gz ZWUKIAPPDXWCRA-UHFFFAOYSA-N 1 0 376.570 3.553 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1OC ZINC000746014086 869945602 /nfs/dbraw/zinc/94/56/02/869945602.db2.gz QCEYEHBCNXMXJP-PKNBQFBNSA-N 1 0 384.520 3.750 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000092453065 882362212 /nfs/dbraw/zinc/36/22/12/882362212.db2.gz NSMDMXSQFBYANR-KRWDZBQOSA-N 1 0 397.906 3.979 20 30 GHEDRO C=CCc1cc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc(OC)c1OC ZINC000446579914 870035197 /nfs/dbraw/zinc/03/51/97/870035197.db2.gz JORMPBQNJCEQNR-UHFFFAOYSA-N 1 0 397.519 3.858 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000462809712 870105628 /nfs/dbraw/zinc/10/56/28/870105628.db2.gz GXCSKTLJUPLBPG-XLIONFOSSA-N 1 0 380.488 3.510 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000505624600 870266742 /nfs/dbraw/zinc/26/67/42/870266742.db2.gz XOLJSBCVAHKFLK-GHTZIAJQSA-N 1 0 391.515 3.523 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793765287 882391969 /nfs/dbraw/zinc/39/19/69/882391969.db2.gz HMUQTPSOBAOALE-OAQYLSRUSA-N 1 0 383.565 3.561 20 30 GHEDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925186947 870403053 /nfs/dbraw/zinc/40/30/53/870403053.db2.gz JATOKPCEYSQFPV-KZNAEPCWSA-N 1 0 381.561 3.693 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1 ZINC000609108420 870435588 /nfs/dbraw/zinc/43/55/88/870435588.db2.gz CUWLPAGHJRKQPY-HSZRJFAPSA-N 1 0 390.531 3.685 20 30 GHEDRO CSc1ccc(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000525339311 870435835 /nfs/dbraw/zinc/43/58/35/870435835.db2.gz QNEGRRGCBVLJDX-QGZVFWFLSA-N 1 0 397.544 3.638 20 30 GHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 ZINC000248942629 870697475 /nfs/dbraw/zinc/69/74/75/870697475.db2.gz YYGKSUOVKFMBNL-ATZDWAIDSA-N 1 0 381.442 3.751 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000249907597 870925411 /nfs/dbraw/zinc/92/54/11/870925411.db2.gz VFCDJJGCXJJFSY-PKOBYXMFSA-N 1 0 395.478 3.959 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000092938982 882459215 /nfs/dbraw/zinc/45/92/15/882459215.db2.gz QEJBPBJEXJUAGO-SFHVURJKSA-N 1 0 379.460 3.684 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000610245385 882464660 /nfs/dbraw/zinc/46/46/60/882464660.db2.gz NYWOWDFKCWRBEM-UHFFFAOYSA-N 1 0 378.426 3.749 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000540329415 871037573 /nfs/dbraw/zinc/03/75/73/871037573.db2.gz OUSUFGKGABPKQY-KRWDZBQOSA-N 1 0 382.508 3.611 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1Br ZINC000540368925 871090935 /nfs/dbraw/zinc/09/09/35/871090935.db2.gz BAVBAPFZNMJCDC-VEVIJQCQSA-N 1 0 396.329 3.551 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540390202 871148483 /nfs/dbraw/zinc/14/84/83/871148483.db2.gz XQXWGHFNSVJRFQ-MSOLQXFVSA-N 1 0 392.503 3.574 20 30 GHEDRO CN(c1ccccc1CN(CCC#N)Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000093100565 882490197 /nfs/dbraw/zinc/49/01/97/882490197.db2.gz SHEUSTLOHHKUQV-UHFFFAOYSA-N 1 0 377.536 3.528 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000539099182 871313169 /nfs/dbraw/zinc/31/31/69/871313169.db2.gz YVFUUKVDNPEFGT-HNNXBMFYSA-N 1 0 381.442 3.893 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000181753885 871461317 /nfs/dbraw/zinc/46/13/17/871461317.db2.gz RKOBICCVHIVKIB-VWLOTQADSA-N 1 0 388.559 3.777 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)c1)O[C@H](C)C2 ZINC000525836202 871525599 /nfs/dbraw/zinc/52/55/99/871525599.db2.gz BKEQUTIHGQJXEY-APMMTJHUSA-N 1 0 393.487 3.765 20 30 GHEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC(=O)NCc3ccc(C#N)cc3)cc2)cs1 ZINC000539279568 871626430 /nfs/dbraw/zinc/62/64/30/871626430.db2.gz JXRHUUAOSFKNNZ-OAHLLOKOSA-N 1 0 390.512 3.957 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1)C[C@H]1CCCCO1 ZINC000539319183 871680326 /nfs/dbraw/zinc/68/03/26/871680326.db2.gz QJUCPMYLHYLVLA-HXUWFJFHSA-N 1 0 380.492 3.918 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121359578 871693280 /nfs/dbraw/zinc/69/32/80/871693280.db2.gz XOTKAXDUNQNDHF-CQSZACIVSA-N 1 0 387.461 3.609 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000182003284 871739918 /nfs/dbraw/zinc/73/99/18/871739918.db2.gz SLZLHCYCNOOHKO-IBGZPJMESA-N 1 0 391.515 3.721 20 30 GHEDRO N#Cc1cncc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1 ZINC001194676491 871885914 /nfs/dbraw/zinc/88/59/14/871885914.db2.gz XQDLLVOSEKYXOH-NZQKXSOJSA-N 1 0 389.430 3.633 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(CCC)cc1 ZINC000022687430 871908149 /nfs/dbraw/zinc/90/81/49/871908149.db2.gz LMEAULYQKNIJEN-UHFFFAOYSA-O 1 0 375.464 3.919 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)c1C#N ZINC000552059017 871953604 /nfs/dbraw/zinc/95/36/04/871953604.db2.gz JGXHDBXNDXETKR-MTNREXPMSA-N 1 0 378.472 3.786 20 30 GHEDRO CC[N@H+](Cc1cc2c(cc1OCCOC)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000508603993 872002158 /nfs/dbraw/zinc/00/21/58/872002158.db2.gz KYNIMIJYJHSVBJ-INIZCTEOSA-N 1 0 382.460 3.895 20 30 GHEDRO CCCCCCCCCOC(=O)N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001194911151 872028160 /nfs/dbraw/zinc/02/81/60/872028160.db2.gz HKTGZRGHZNXJLE-UHFFFAOYSA-N 1 0 381.561 3.550 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618821505 872029779 /nfs/dbraw/zinc/02/97/79/872029779.db2.gz ZYYVTSBSNHCVIL-VSDWSMLSSA-N 1 0 388.515 3.755 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618841915 872054072 /nfs/dbraw/zinc/05/40/72/872054072.db2.gz DARRSHDNCOKYEO-JOCHJYFZSA-N 1 0 376.504 3.839 20 30 GHEDRO CCc1cccc2c(C3CC[NH+]([C@H](C)C(=O)NC4(C#N)CCC4)CC3)c[nH]c21 ZINC000526059102 872060087 /nfs/dbraw/zinc/06/00/87/872060087.db2.gz SRXIUBGVRSHZAP-MRXNPFEDSA-N 1 0 378.520 3.861 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618847268 872070566 /nfs/dbraw/zinc/07/05/66/872070566.db2.gz HFTJUKPMGWEJFE-SFGWALBWSA-N 1 0 380.536 3.842 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000101598905 872118415 /nfs/dbraw/zinc/11/84/15/872118415.db2.gz UUIRKBPAUDQXAQ-LJQANCHMSA-N 1 0 386.540 3.773 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@@H]21 ZINC000767039658 872213503 /nfs/dbraw/zinc/21/35/03/872213503.db2.gz GEGCCFNPWOLRIS-ICSRJNTNSA-N 1 0 394.544 3.912 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C1CCCCC1 ZINC000552259498 872314744 /nfs/dbraw/zinc/31/47/44/872314744.db2.gz IQCYBQXPORDLFE-MOPGFXCFSA-N 1 0 375.463 3.732 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C1CCCCC1 ZINC000552259501 872314876 /nfs/dbraw/zinc/31/48/76/872314876.db2.gz IQCYBQXPORDLFE-RTBURBONSA-N 1 0 375.463 3.732 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)NC1(C#N)CCC1 ZINC000527053222 872561898 /nfs/dbraw/zinc/56/18/98/872561898.db2.gz ABGUUQUMMZVGHV-JQFCIGGWSA-N 1 0 379.426 3.882 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000022850725 872640869 /nfs/dbraw/zinc/64/08/69/872640869.db2.gz QSIAQQAHVJXXRB-UHFFFAOYSA-N 1 0 379.895 3.567 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000619508281 872694374 /nfs/dbraw/zinc/69/43/74/872694374.db2.gz NIUACNFASMLMLB-HSZRJFAPSA-N 1 0 389.499 3.588 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000619508388 872694598 /nfs/dbraw/zinc/69/45/98/872694598.db2.gz MENVEQXHDQYTLS-FZKQIMNGSA-N 1 0 391.924 3.922 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2cccc(C#N)c2)C12CCCC2 ZINC001195844296 872711044 /nfs/dbraw/zinc/71/10/44/872711044.db2.gz ZXPLFDZMCVGGGZ-OALUTQOASA-N 1 0 385.508 3.503 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH2+][C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1 ZINC001195938465 872738801 /nfs/dbraw/zinc/73/88/01/872738801.db2.gz MZFLTGXHQDGJDA-MRXNPFEDSA-N 1 0 393.796 3.821 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N(CC[NH3+])c2cccnc2)cc1 ZINC001196172183 872928465 /nfs/dbraw/zinc/92/84/65/872928465.db2.gz SSFNTZABXVEKLK-UHFFFAOYSA-N 1 0 388.496 3.851 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCC1 ZINC000527302669 872941371 /nfs/dbraw/zinc/94/13/71/872941371.db2.gz UFQKMRBUZVAKRF-LXZKKBNFSA-N 1 0 379.426 3.882 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000767899757 872945974 /nfs/dbraw/zinc/94/59/74/872945974.db2.gz MWDIEFSFEBNIGV-XMMPIXPASA-N 1 0 377.532 3.604 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000619757154 872968895 /nfs/dbraw/zinc/96/88/95/872968895.db2.gz PWUBHNSBBWRZLI-LJQANCHMSA-N 1 0 396.922 3.575 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000152936199 872991902 /nfs/dbraw/zinc/99/19/02/872991902.db2.gz AABLEOMQIYKAJH-QGZVFWFLSA-N 1 0 377.960 3.707 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CN1Cc1ccccc1 ZINC000527349483 873026824 /nfs/dbraw/zinc/02/68/24/873026824.db2.gz CVCQJOJPCURFIW-CCKJBCASSA-N 1 0 390.531 3.896 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619816803 873045307 /nfs/dbraw/zinc/04/53/07/873045307.db2.gz FUBSWYIXRDYZHT-NRFANRHFSA-N 1 0 386.503 3.547 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000619810124 873066839 /nfs/dbraw/zinc/06/68/39/873066839.db2.gz ZFXJGYIAFXQXSS-SFHVURJKSA-N 1 0 386.883 3.831 20 30 GHEDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000182996917 873070398 /nfs/dbraw/zinc/07/03/98/873070398.db2.gz PCPZDBNEMBFTEL-HNNXBMFYSA-N 1 0 391.450 3.871 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cnn1-c1ccc(F)cc1 ZINC000182993424 873070498 /nfs/dbraw/zinc/07/04/98/873070498.db2.gz UCRLEMACWKXPSH-GJZGRUSLSA-N 1 0 391.450 3.869 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000527377231 873116968 /nfs/dbraw/zinc/11/69/68/873116968.db2.gz QLSBXOJACVQKSU-HXUWFJFHSA-N 1 0 377.488 3.576 20 30 GHEDRO C[NH+](C)CCN(Cc1cccs1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443487321 873127877 /nfs/dbraw/zinc/12/78/77/873127877.db2.gz GWHOGJXBSCTAOI-UHFFFAOYSA-N 1 0 381.461 3.644 20 30 GHEDRO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000768193345 873159947 /nfs/dbraw/zinc/15/99/47/873159947.db2.gz LJMNGEMGNZYRTA-UHFFFAOYSA-N 1 0 396.510 3.502 20 30 GHEDRO CC(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001196570195 873182944 /nfs/dbraw/zinc/18/29/44/873182944.db2.gz WIKGYMMJCJEVQT-UHFFFAOYSA-N 1 0 392.528 3.712 20 30 GHEDRO N#Cc1nc(NCC2CC[NH+](Cc3cccs3)CC2)ccc1C(F)(F)F ZINC000443508398 873234493 /nfs/dbraw/zinc/23/44/93/873234493.db2.gz FDEUMOHDRGRITH-UHFFFAOYSA-N 1 0 380.439 3.780 20 30 GHEDRO CC(C)(C)OC(=O)CCCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000541282221 873260937 /nfs/dbraw/zinc/26/09/37/873260937.db2.gz HMBHLWKKZJWCND-UHFFFAOYSA-N 1 0 385.508 3.721 20 30 GHEDRO CN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000443504877 873262521 /nfs/dbraw/zinc/26/25/21/873262521.db2.gz ZBBCPDVWIHAPTK-LJQANCHMSA-N 1 0 387.443 3.725 20 30 GHEDRO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)o1 ZINC000527589039 873327904 /nfs/dbraw/zinc/32/79/04/873327904.db2.gz WRUCSEIWYSPRMU-UHFFFAOYSA-N 1 0 395.503 3.973 20 30 GHEDRO CCOc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(F)cc1OC ZINC000527697018 873466100 /nfs/dbraw/zinc/46/61/00/873466100.db2.gz OOEKDYKSBMLMAA-UHFFFAOYSA-N 1 0 399.466 3.979 20 30 GHEDRO COc1cccc([C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)OC)c1 ZINC000527740323 873543740 /nfs/dbraw/zinc/54/37/40/873543740.db2.gz WELAWHMPGSDOBJ-QHCPKHFHSA-N 1 0 379.504 3.509 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1C#N ZINC000464328982 873623812 /nfs/dbraw/zinc/62/38/12/873623812.db2.gz SNZZNIJFHLERBT-INIZCTEOSA-N 1 0 384.549 3.547 20 30 GHEDRO N#Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1Br ZINC000448606908 873661527 /nfs/dbraw/zinc/66/15/27/873661527.db2.gz MIROBANNLDLZII-UHFFFAOYSA-N 1 0 398.304 3.847 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)sc2c1CCCC2 ZINC000494640600 882748206 /nfs/dbraw/zinc/74/82/06/882748206.db2.gz BPRAPSHNIIOXQV-MRXNPFEDSA-N 1 0 387.549 3.718 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000775774076 873834123 /nfs/dbraw/zinc/83/41/23/873834123.db2.gz LEYYKEONLGPITF-NQIIRXRSSA-N 1 0 394.519 3.687 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000528151083 874091783 /nfs/dbraw/zinc/09/17/83/874091783.db2.gz WWVVPAKIVQHKBH-JOCHJYFZSA-N 1 0 378.520 3.764 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000769514883 874122076 /nfs/dbraw/zinc/12/20/76/874122076.db2.gz PAUVKYKSTLBMBX-QRQLOZEOSA-N 1 0 385.508 3.951 20 30 GHEDRO C=CC[C@H]([NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccncc1 ZINC000769519906 874126941 /nfs/dbraw/zinc/12/69/41/874126941.db2.gz SKARMBOWYLVBHP-QRQLOZEOSA-N 1 0 375.513 3.703 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2cccc(F)c2Br)CC1 ZINC000448922464 874211595 /nfs/dbraw/zinc/21/15/95/874211595.db2.gz QOWIXGDXTPSGDQ-UHFFFAOYSA-N 1 0 383.305 3.678 20 30 GHEDRO CN(C)c1cc(F)cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001198137767 874227359 /nfs/dbraw/zinc/22/73/59/874227359.db2.gz KAIWEUBEHNDQRW-MEMLXQNLSA-N 1 0 394.494 3.676 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775830757 874273343 /nfs/dbraw/zinc/27/33/43/874273343.db2.gz NGSRRDWGHRIDSJ-IBGZPJMESA-N 1 0 378.520 3.967 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC1 ZINC000769812742 874304871 /nfs/dbraw/zinc/30/48/71/874304871.db2.gz PODCGEQYBITZJP-PBHICJAKSA-N 1 0 399.543 3.729 20 30 GHEDRO C=CC[C@@H]1[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1(C)C ZINC000769954048 874362988 /nfs/dbraw/zinc/36/29/88/874362988.db2.gz QWHQPGNWCFHGHY-NRFANRHFSA-N 1 0 385.552 3.919 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000770051068 874426619 /nfs/dbraw/zinc/42/66/19/874426619.db2.gz SBJXRSZPIBCSPZ-KKSFZXQISA-N 1 0 382.504 3.854 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)nn1-c1cccc(C#N)c1 ZINC000541873531 874444201 /nfs/dbraw/zinc/44/42/01/874444201.db2.gz PAGJFBHMDGEZEF-FVJLSDCUSA-N 1 0 391.519 3.530 20 30 GHEDRO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464776576 874473192 /nfs/dbraw/zinc/47/31/92/874473192.db2.gz UGXFONVYRNFXII-JOCHJYFZSA-N 1 0 381.495 3.903 20 30 GHEDRO C[C@@H]1CC[C@@](CO)([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc21 ZINC001198694088 874559048 /nfs/dbraw/zinc/55/90/48/874559048.db2.gz AMGIICHCCXYDPO-QRQCRPRQSA-N 1 0 397.906 3.915 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@](C)(C#N)CCc2ccccc2)[C@H](C(F)(F)F)C1 ZINC000550935719 882849647 /nfs/dbraw/zinc/84/96/47/882849647.db2.gz LRBYBUYCJRXVGI-MBOZVWFJSA-N 1 0 395.469 3.926 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1C#N ZINC000464861019 874660420 /nfs/dbraw/zinc/66/04/20/874660420.db2.gz UDHDVTBSVAYJBI-PXNSSMCTSA-N 1 0 384.524 3.531 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000775923052 874718132 /nfs/dbraw/zinc/71/81/32/874718132.db2.gz XGIIWEWCXJFIDL-MRXNPFEDSA-N 1 0 376.460 3.501 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000770808826 874877749 /nfs/dbraw/zinc/87/77/49/874877749.db2.gz WZRYJNFKQRDRMC-ZDUSSCGKSA-N 1 0 391.562 3.677 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528711187 874942761 /nfs/dbraw/zinc/94/27/61/874942761.db2.gz ZRCOJVUPCCBRLA-UHFFFAOYSA-N 1 0 383.496 3.556 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CCC(C#N)CC3)cc2Cl)CC1 ZINC000105017684 874977751 /nfs/dbraw/zinc/97/77/51/874977751.db2.gz VAWUEKQCNJANAB-UHFFFAOYSA-N 1 0 389.931 3.639 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528733973 874983126 /nfs/dbraw/zinc/98/31/26/874983126.db2.gz JZOWESUOSJIBPU-QHCPKHFHSA-N 1 0 375.472 3.747 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@@H](O)c3ccc(C(F)(F)F)cc3)CCOCC2)cc1 ZINC000528780081 875052781 /nfs/dbraw/zinc/05/27/81/875052781.db2.gz BAWFJBOQBBRIJB-LJQANCHMSA-N 1 0 390.405 3.906 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(OCC(F)(F)F)nc3)CCOCC2)cc1 ZINC000528781129 875053704 /nfs/dbraw/zinc/05/37/04/875053704.db2.gz GYHMBDZCPNEZBA-UHFFFAOYSA-N 1 0 391.393 3.690 20 30 GHEDRO CC[NH+]1CCC(NC(=O)c2cccc(C(F)(F)F)c2F)(C(F)(F)F)CC1 ZINC001273820793 875300371 /nfs/dbraw/zinc/30/03/71/875300371.db2.gz NULUENNCVOYURD-UHFFFAOYSA-N 1 0 386.311 3.991 20 30 GHEDRO COc1cc(Cl)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000776085468 875315699 /nfs/dbraw/zinc/31/56/99/875315699.db2.gz AZGWVDNNUIDQNI-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449735854 875320965 /nfs/dbraw/zinc/32/09/65/875320965.db2.gz JOJREOAYZKHDEJ-GFCCVEGCSA-N 1 0 375.831 3.866 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449736501 875321627 /nfs/dbraw/zinc/32/16/27/875321627.db2.gz NGZUXOCKWOPELH-CQSZACIVSA-N 1 0 394.450 3.553 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)C2CCC2)cc1OCC ZINC000449740859 875325425 /nfs/dbraw/zinc/32/54/25/875325425.db2.gz RJFBKUYXQXXHHG-MRXNPFEDSA-N 1 0 384.314 3.663 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000776093467 875330755 /nfs/dbraw/zinc/33/07/55/875330755.db2.gz PDTYYILRYZGYGX-ICSRJNTNSA-N 1 0 377.488 3.873 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1c1ccccc1 ZINC000449752971 875349045 /nfs/dbraw/zinc/34/90/45/875349045.db2.gz HNSZTWIFNKCFSI-VXKWHMMOSA-N 1 0 378.472 3.758 20 30 GHEDRO C[N@H+](C1CC1)C1CCN(C(=S)Nc2ccc(C#N)cc2Br)CC1 ZINC001201123579 875537766 /nfs/dbraw/zinc/53/77/66/875537766.db2.gz UIRHWPAQAHOTPH-UHFFFAOYSA-N 1 0 393.354 3.576 20 30 GHEDRO CCOc1cccc(/C=C\C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000858219083 882950573 /nfs/dbraw/zinc/95/05/73/882950573.db2.gz YPSMELTXJBDQMK-QXMHVHEDSA-N 1 0 389.499 3.705 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1OCCCC#N ZINC000491530345 875762166 /nfs/dbraw/zinc/76/21/66/875762166.db2.gz KPYLMKJITJFXOE-UHFFFAOYSA-N 1 0 391.471 3.519 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529209632 875831767 /nfs/dbraw/zinc/83/17/67/875831767.db2.gz ALDVRFKHFZCPQE-LJQANCHMSA-N 1 0 392.503 3.738 20 30 GHEDRO CCCCCCC[NH+]1CCC2(CC1)c1ncc(-c3cnn(C)c3)n1CCN2CC ZINC001201762167 875846732 /nfs/dbraw/zinc/84/67/32/875846732.db2.gz AGUNWBRVWIFTJL-UHFFFAOYSA-N 1 0 398.599 3.881 20 30 GHEDRO CCCCCCC[NH+]1CCC(c2cc3c(ncn3C)c(N3CCOCC3)n2)CC1 ZINC001201762923 875847120 /nfs/dbraw/zinc/84/71/20/875847120.db2.gz ZVBOYKYZJYYYBM-UHFFFAOYSA-N 1 0 399.583 3.955 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@@]2(C1)NC(=O)N(Cc1ccc(OC)cc1)C2=O ZINC001201840397 875899617 /nfs/dbraw/zinc/89/96/17/875899617.db2.gz WABYNSUCAZQTDA-QFIPXVFZSA-N 1 0 387.524 3.552 20 30 GHEDRO CCCCCCCCCN1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001201847219 875902739 /nfs/dbraw/zinc/90/27/39/875902739.db2.gz SWXDFTMCXNOGAA-HXUWFJFHSA-N 1 0 375.605 3.758 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000491796562 875947031 /nfs/dbraw/zinc/94/70/31/875947031.db2.gz NEFGTBGXUGRMEW-UHFFFAOYSA-N 1 0 386.883 3.864 20 30 GHEDRO CC[C@@H]1[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000858253188 882979958 /nfs/dbraw/zinc/97/99/58/882979958.db2.gz JBBTXHLKYJANBF-LEWJYISDSA-N 1 0 398.551 3.905 20 30 GHEDRO Cn1c(C#N)ccc1C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000450099079 875959319 /nfs/dbraw/zinc/95/93/19/875959319.db2.gz CJTQCNJAFWBHSK-UHFFFAOYSA-N 1 0 386.499 3.671 20 30 GHEDRO Cn1cc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1C#N ZINC000491997060 876080054 /nfs/dbraw/zinc/08/00/54/876080054.db2.gz HHNNJJFVZXLQFE-OFNKIYASSA-N 1 0 391.446 3.577 20 30 GHEDRO COc1ccc([C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000450212071 876084272 /nfs/dbraw/zinc/08/42/72/876084272.db2.gz BVQCBCWNJGGLAY-IBGZPJMESA-N 1 0 381.436 3.509 20 30 GHEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271941411 876096588 /nfs/dbraw/zinc/09/65/88/876096588.db2.gz MCALPMGYCOKKAT-MRXNPFEDSA-N 1 0 395.478 3.590 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccc(C)c(F)c2)cc1 ZINC000151919714 876121007 /nfs/dbraw/zinc/12/10/07/876121007.db2.gz NWOLPEXUTKNEAZ-UHFFFAOYSA-O 1 0 397.499 3.768 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cc(C)ccc2F)cc1 ZINC000151931055 876171433 /nfs/dbraw/zinc/17/14/33/876171433.db2.gz UCTZTFBGTHWSOB-UHFFFAOYSA-O 1 0 397.499 3.768 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1sccc1C#N ZINC000129938271 876198208 /nfs/dbraw/zinc/19/82/08/876198208.db2.gz MNNUCBHHXSASSI-SFHVURJKSA-N 1 0 391.500 3.824 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)C1CC1 ZINC000120705558 876244222 /nfs/dbraw/zinc/24/42/22/876244222.db2.gz RBLPUHJWZKTPSV-NRFANRHFSA-N 1 0 376.566 3.783 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492194373 876409984 /nfs/dbraw/zinc/40/99/84/876409984.db2.gz RKALKMSALUJZIT-SFHVURJKSA-N 1 0 380.257 3.976 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000108523040 876485834 /nfs/dbraw/zinc/48/58/34/876485834.db2.gz GKQYKUHOQMBOOO-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000529676891 876510547 /nfs/dbraw/zinc/51/05/47/876510547.db2.gz LFBGLTAWVBWLMB-VHSZZVNMSA-N 1 0 380.513 3.623 20 30 GHEDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000850004989 876590446 /nfs/dbraw/zinc/59/04/46/876590446.db2.gz SIXJEGZYDQRNCS-JOCHJYFZSA-N 1 0 375.516 3.811 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000173790627 876641127 /nfs/dbraw/zinc/64/11/27/876641127.db2.gz CQYRJMONNPXMQW-ROUUACIJSA-N 1 0 388.581 3.541 20 30 GHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450656685 876741625 /nfs/dbraw/zinc/74/16/25/876741625.db2.gz KJTNOCVLSIFNBP-INIZCTEOSA-N 1 0 384.268 3.677 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)cc1 ZINC000450703233 876798646 /nfs/dbraw/zinc/79/86/46/876798646.db2.gz BZLBRLHSEWSPLM-UHFFFAOYSA-N 1 0 379.504 3.575 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c2)c1 ZINC000850349681 876841862 /nfs/dbraw/zinc/84/18/62/876841862.db2.gz JFNNYPWSMPLSBB-HHHXNRCGSA-N 1 0 396.434 3.538 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnc(C2CC2)s1 ZINC000450743596 876843766 /nfs/dbraw/zinc/84/37/66/876843766.db2.gz IEBGBEHZPCPWGP-UHFFFAOYSA-N 1 0 390.582 3.514 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc(C#N)ccc3[N+](=O)[O-])CC2)cc1 ZINC000450789650 876894159 /nfs/dbraw/zinc/89/41/59/876894159.db2.gz WYBLRMDSEVLYMI-UHFFFAOYSA-N 1 0 393.447 3.501 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)ccc1OC ZINC000850418538 876898982 /nfs/dbraw/zinc/89/89/82/876898982.db2.gz LWTRRGWTVIXPGM-QGZVFWFLSA-N 1 0 381.394 3.891 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@H](C)O1 ZINC000180524680 883077514 /nfs/dbraw/zinc/07/75/14/883077514.db2.gz DFCKOOZOWPJMTE-KDURUIRLSA-N 1 0 395.547 3.593 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530034342 877002018 /nfs/dbraw/zinc/00/20/18/877002018.db2.gz VKGPMILRXSSLOM-MRXNPFEDSA-N 1 0 377.275 3.601 20 30 GHEDRO CCN(C)C(=O)[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)C(C)C ZINC001170459209 883096446 /nfs/dbraw/zinc/09/64/46/883096446.db2.gz BNNVYQIOHHIXKC-QFIPXVFZSA-N 1 0 377.532 3.979 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(c3nccs3)CC2)ccc1OC ZINC000180817378 883100077 /nfs/dbraw/zinc/10/00/77/883100077.db2.gz RDFLPGCFOHRMCP-QGZVFWFLSA-N 1 0 386.521 3.591 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc4ccc(Cl)cn34)C2)c(F)c1 ZINC000610007820 877280941 /nfs/dbraw/zinc/28/09/41/877280941.db2.gz KQBCJJZOASUIGB-INIZCTEOSA-N 1 0 383.858 3.757 20 30 GHEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000787307228 877333157 /nfs/dbraw/zinc/33/31/57/877333157.db2.gz NVIHYVMQYAHJRJ-HHXXYDBFSA-N 1 0 380.517 3.878 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc2ccccc2n1CC#N ZINC000610121846 877435656 /nfs/dbraw/zinc/43/56/56/877435656.db2.gz FZNKXEYUCFAINA-IBGZPJMESA-N 1 0 386.499 3.901 20 30 GHEDRO Cc1cc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC000443998333 877515204 /nfs/dbraw/zinc/51/52/04/877515204.db2.gz PBNPNULRMRFLQJ-QGZVFWFLSA-N 1 0 378.394 3.706 20 30 GHEDRO N#Cc1ccc(C2=CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000551703857 877674334 /nfs/dbraw/zinc/67/43/34/877674334.db2.gz LGIGILXIXFAKON-VWLOTQADSA-N 1 0 387.527 3.938 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000249296832 877748695 /nfs/dbraw/zinc/74/86/95/877748695.db2.gz MWPHQBWQEOXXFE-HLIPFELVSA-N 1 0 398.551 3.524 20 30 GHEDRO Fc1ccc(CC[NH+]2CCC(N=Nc3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000788025760 877786270 /nfs/dbraw/zinc/78/62/70/877786270.db2.gz CFJCFIUMJHNSGL-UHFFFAOYSA-N 1 0 396.495 3.846 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(CF)CC2)c1C#N ZINC000451386931 877885199 /nfs/dbraw/zinc/88/51/99/877885199.db2.gz BNXILDQQHWKZDS-UHFFFAOYSA-N 1 0 386.471 3.628 20 30 GHEDRO CSc1ccc(NC(=O)[C@@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000852054697 878052160 /nfs/dbraw/zinc/05/21/60/878052160.db2.gz FTAWTYVESIKQJX-MRXNPFEDSA-N 1 0 399.516 3.623 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(O)c(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001183149936 912311088 /nfs/dbraw/zinc/31/10/88/912311088.db2.gz WPVXCNPRHKPIJK-QGZVFWFLSA-N 1 0 395.503 3.944 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451550839 878129592 /nfs/dbraw/zinc/12/95/92/878129592.db2.gz SIIXKZGNJNIHRO-GOSISDBHSA-N 1 0 378.432 3.675 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000615830100 878146900 /nfs/dbraw/zinc/14/69/00/878146900.db2.gz BBSZSDCNDCBOMV-UHFFFAOYSA-N 1 0 381.480 3.941 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)s1 ZINC000530676897 878306343 /nfs/dbraw/zinc/30/63/43/878306343.db2.gz DTPOQBWFOWPGSD-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO CN(C)c1nc2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC000179980393 878322426 /nfs/dbraw/zinc/32/24/26/878322426.db2.gz NDGFFEBIAZYQLX-UHFFFAOYSA-N 1 0 375.476 3.842 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180022929 878387274 /nfs/dbraw/zinc/38/72/74/878387274.db2.gz GLMBRROZIFADFL-PKOBYXMFSA-N 1 0 378.476 3.764 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000852669684 878504155 /nfs/dbraw/zinc/50/41/55/878504155.db2.gz RHIGYRROHQUYPQ-UNMCSNQZSA-N 1 0 379.548 3.734 20 30 GHEDRO COc1cccc(C2([NH2+]Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CCC2)c1 ZINC000852692891 878528728 /nfs/dbraw/zinc/52/87/28/878528728.db2.gz DEUNQHXPSWAYQV-LJQANCHMSA-N 1 0 398.466 3.901 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732397 878563301 /nfs/dbraw/zinc/56/33/01/878563301.db2.gz TXGRFXYIDDRWMQ-MSOLQXFVSA-N 1 0 391.924 3.950 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460790172 878566517 /nfs/dbraw/zinc/56/65/17/878566517.db2.gz LIUXXEKQNKIQJB-MSOLQXFVSA-N 1 0 392.551 3.845 20 30 GHEDRO C=C(C)COCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000537956431 878585106 /nfs/dbraw/zinc/58/51/06/878585106.db2.gz QHMLRSSTTSPPOE-OAHLLOKOSA-N 1 0 387.261 3.687 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000852867383 878638833 /nfs/dbraw/zinc/63/88/33/878638833.db2.gz VEWFXBFHXQCSNG-UHFFFAOYSA-N 1 0 389.377 3.834 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000852868227 878639011 /nfs/dbraw/zinc/63/90/11/878639011.db2.gz APCMWTJNBODPCB-UHFFFAOYSA-N 1 0 389.377 3.834 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852910114 878655550 /nfs/dbraw/zinc/65/55/50/878655550.db2.gz ASZVTTZDWHMDKO-NRFANRHFSA-N 1 0 384.932 3.879 20 30 GHEDRO N#CCC[C@@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000245974625 878815817 /nfs/dbraw/zinc/81/58/17/878815817.db2.gz WSLLLRMUGHDMSV-FYYLOGMGSA-N 1 0 390.531 3.895 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001183292807 912400691 /nfs/dbraw/zinc/40/06/91/912400691.db2.gz HJWRGGJZUOLJAH-DHIUTWEWSA-N 1 0 399.538 3.960 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)ccc1Cl ZINC000538170431 878972081 /nfs/dbraw/zinc/97/20/81/878972081.db2.gz CPZKWDXDIOUGOZ-OAHLLOKOSA-N 1 0 399.878 3.975 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC(C)C)cc1 ZINC000068865829 879105399 /nfs/dbraw/zinc/10/53/99/879105399.db2.gz MVOQDUKHLIGLIN-UHFFFAOYSA-O 1 0 379.452 3.821 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC)cc1 ZINC000068865794 879105436 /nfs/dbraw/zinc/10/54/36/879105436.db2.gz PLMPQGCTKVEOPL-UHFFFAOYSA-O 1 0 379.452 3.686 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)C(C(=S)NC2CCOCC2)[n+]2ccccc2)cc1 ZINC000068866504 879105465 /nfs/dbraw/zinc/10/54/65/879105465.db2.gz FWDXZUBGAXXIES-UHFFFAOYSA-O 1 0 397.564 3.979 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000853613991 879168383 /nfs/dbraw/zinc/16/83/83/879168383.db2.gz QDRNJRQCPBQHGS-UHFFFAOYSA-N 1 0 386.503 3.522 20 30 GHEDRO C=CCCOCCCCC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538297890 879203896 /nfs/dbraw/zinc/20/38/96/879203896.db2.gz FFMHXICNKNZYOK-HXUWFJFHSA-N 1 0 386.536 3.854 20 30 GHEDRO N#Cc1csc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1 ZINC000531117438 879203971 /nfs/dbraw/zinc/20/39/71/879203971.db2.gz OLIFDIJWGVTNHX-NRFANRHFSA-N 1 0 375.497 3.637 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc3ccccc3c2)c1C#N ZINC000538425240 879441009 /nfs/dbraw/zinc/44/10/09/879441009.db2.gz ZNQWGECPWIGUPZ-UHFFFAOYSA-N 1 0 375.476 3.548 20 30 GHEDRO CC(C)N1C(=O)C[C@H]([NH2+]Cc2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000617252591 879535088 /nfs/dbraw/zinc/53/50/88/879535088.db2.gz JDCDONYYQQGURP-ICSRJNTNSA-N 1 0 386.858 3.586 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000152676243 879564126 /nfs/dbraw/zinc/56/41/26/879564126.db2.gz FUERJWFHTDDGMW-UWJYYQICSA-N 1 0 380.488 3.881 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000152679833 879575048 /nfs/dbraw/zinc/57/50/48/879575048.db2.gz NIEDQNKPEQECCZ-UHFFFAOYSA-N 1 0 389.402 3.656 20 30 GHEDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000854229038 879646597 /nfs/dbraw/zinc/64/65/97/879646597.db2.gz GMPOSPZZGXONFD-JJXUHFIVSA-N 1 0 383.467 3.533 20 30 GHEDRO N#CCCCOc1cccc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)c1 ZINC000531350029 879674115 /nfs/dbraw/zinc/67/41/15/879674115.db2.gz XRXHWIXMLZOYNQ-UHFFFAOYSA-N 1 0 379.504 3.938 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461446374 879836693 /nfs/dbraw/zinc/83/66/93/879836693.db2.gz CXUSKNWPNGZXJO-SFTDATJTSA-N 1 0 391.540 3.631 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(OCC#N)c1 ZINC000265970716 880024463 /nfs/dbraw/zinc/02/44/63/880024463.db2.gz WLCRZHDNQDJXKA-GOSISDBHSA-N 1 0 378.476 3.717 20 30 GHEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000112694764 880087465 /nfs/dbraw/zinc/08/74/65/880087465.db2.gz WORZACDSQFWECC-QFIPXVFZSA-N 1 0 390.487 3.609 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3nc(C#N)ccc3Cl)nc3ccc(C)cc3n12 ZINC001170151469 880281459 /nfs/dbraw/zinc/28/14/59/880281459.db2.gz RVDWKDHEOINJTB-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)COc3cccc(C#N)c3)sc2c1)C1CC1 ZINC000855470725 880535501 /nfs/dbraw/zinc/53/55/01/880535501.db2.gz LGJWVOCOCYDNAG-UHFFFAOYSA-N 1 0 392.484 3.780 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000791785226 880720321 /nfs/dbraw/zinc/72/03/21/880720321.db2.gz QBOCOBXYYXSAGR-VAWYXSNFSA-N 1 0 388.515 3.988 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000286163925 912599191 /nfs/dbraw/zinc/59/91/91/912599191.db2.gz PZUWBWATHJARAQ-UHFFFAOYSA-N 1 0 380.439 3.835 20 30 GHEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000186358071 880865741 /nfs/dbraw/zinc/86/57/41/880865741.db2.gz UTFWELZZNLVGAI-RTBURBONSA-N 1 0 377.916 3.770 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000453410894 880875693 /nfs/dbraw/zinc/87/56/93/880875693.db2.gz BYZRRTGPIIQHQG-SOAGJPPSSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000453447410 880915655 /nfs/dbraw/zinc/91/56/55/880915655.db2.gz XGZLYECMSIWPHN-CTNGQTDRSA-N 1 0 395.551 3.664 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453467830 880973197 /nfs/dbraw/zinc/97/31/97/880973197.db2.gz RXYYYBJSYRVYBU-CTNGQTDRSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000453470603 880981390 /nfs/dbraw/zinc/98/13/90/880981390.db2.gz QIOFYLDBVHUHBX-PZJWPPBQSA-N 1 0 395.551 3.807 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000113981236 881022711 /nfs/dbraw/zinc/02/27/11/881022711.db2.gz JYDBMJYNASYYEO-TZIWHRDSSA-N 1 0 386.540 3.677 20 30 GHEDRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C#N)c(F)c2)cn1 ZINC000792374323 881061982 /nfs/dbraw/zinc/06/19/82/881061982.db2.gz BCJBXUDDWBONQJ-JOCHJYFZSA-N 1 0 378.451 3.650 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000556964719 881227976 /nfs/dbraw/zinc/22/79/76/881227976.db2.gz ZCDPKCPBGFVTFK-UXHICEINSA-N 1 0 390.487 3.804 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2)c1 ZINC000556964438 881229064 /nfs/dbraw/zinc/22/90/64/881229064.db2.gz NAAYESKUMIXHRI-LEWJYISDSA-N 1 0 376.460 3.860 20 30 GHEDRO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1cc[nH+]c(CC#N)c1 ZINC001170241722 881248218 /nfs/dbraw/zinc/24/82/18/881248218.db2.gz VTGCXBDIRUDTBS-CVAIRZPRSA-N 1 0 375.513 3.745 20 30 GHEDRO COc1ccc(C[C@H](C)NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC001170295222 881316142 /nfs/dbraw/zinc/31/61/42/881316142.db2.gz BEQSFPDNKFJJJG-NSHDSACASA-N 1 0 381.354 3.959 20 30 GHEDRO N#Cc1cccc(OCCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000532167277 881338701 /nfs/dbraw/zinc/33/87/01/881338701.db2.gz AWXHGOXWQAGFQG-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](n2cncn2)C1 ZINC000551086843 883264102 /nfs/dbraw/zinc/26/41/02/883264102.db2.gz YDBAVUKNILKDDO-SREGSLNRSA-N 1 0 379.508 3.859 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000609483851 883276688 /nfs/dbraw/zinc/27/66/88/883276688.db2.gz LHNOEMKWIKMFGP-IIBYNOLFSA-N 1 0 383.517 3.517 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000609483852 883276838 /nfs/dbraw/zinc/27/68/38/883276838.db2.gz LHNOEMKWIKMFGP-KKSFZXQISA-N 1 0 383.517 3.517 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000609517275 883287884 /nfs/dbraw/zinc/28/78/84/883287884.db2.gz ZTLMIJUFWCZIIM-OAQYLSRUSA-N 1 0 395.503 3.962 20 30 GHEDRO CCCCCCCCOC(=O)[C@H](N)Cc1cn(-c2cnnnc2)c2ccccc12 ZINC001170465262 883314005 /nfs/dbraw/zinc/31/40/05/883314005.db2.gz WIBXAZAYYXYVMG-HXUWFJFHSA-N 1 0 395.507 3.589 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000609553602 883365033 /nfs/dbraw/zinc/36/50/33/883365033.db2.gz CMJHSAHYYDKGBP-SFHVURJKSA-N 1 0 379.464 3.740 20 30 GHEDRO N#C[C@@H](Cc1ccc(O)cc1)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183617041 912701328 /nfs/dbraw/zinc/70/13/28/912701328.db2.gz LPMRATUQRVGSHN-VAMGGRTRSA-N 1 0 395.478 3.512 20 30 GHEDRO N#CCCN(Cc1cccnc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858828381 883385539 /nfs/dbraw/zinc/38/55/39/883385539.db2.gz YKADXAUXOUDZSD-JOCHJYFZSA-N 1 0 388.515 3.626 20 30 GHEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C[C@@H]1CCOC1 ZINC000609631778 883489839 /nfs/dbraw/zinc/48/98/39/883489839.db2.gz WJEITEQZJZACQE-SFHVURJKSA-N 1 0 386.540 3.779 20 30 GHEDRO COc1ccc(C[NH2+]CCc2cnn(-c3ccccc3)c2)cc1OCCCC#N ZINC000064613888 883754638 /nfs/dbraw/zinc/75/46/38/883754638.db2.gz CGQJDFADWZCIEU-UHFFFAOYSA-N 1 0 390.487 3.896 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1cccc(F)c1 ZINC000465438393 883878166 /nfs/dbraw/zinc/87/81/66/883878166.db2.gz XIEBAYJYYYDFER-BHIFYINESA-N 1 0 394.494 3.910 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN(C)CC2([NH+](C)C)CCC2)c1=S ZINC000189793223 883981994 /nfs/dbraw/zinc/98/19/94/883981994.db2.gz YBWHEXKFPKLHCL-UHFFFAOYSA-N 1 0 385.581 3.949 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000116923911 884036826 /nfs/dbraw/zinc/03/68/26/884036826.db2.gz FRLFCGWFEASLHC-WBVHZDCISA-N 1 0 387.430 3.947 20 30 GHEDRO CS(=O)(=O)c1ccc(N=NC2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000841618466 884075538 /nfs/dbraw/zinc/07/55/38/884075538.db2.gz USWQVWYOXZKZGR-OAQYLSRUSA-N 1 0 383.517 3.858 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1C#N)C2 ZINC000805794656 884078819 /nfs/dbraw/zinc/07/88/19/884078819.db2.gz YLOAPGZVKXSPFU-QFIPXVFZSA-N 1 0 385.508 3.660 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805827210 884141419 /nfs/dbraw/zinc/14/14/19/884141419.db2.gz PDXLVWMAYLWINZ-NHCUHLMSSA-N 1 0 385.508 3.505 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(Cl)ccc1Cl ZINC000498381082 884232317 /nfs/dbraw/zinc/23/23/17/884232317.db2.gz VESAOHIQOBAXLT-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000498373825 884239118 /nfs/dbraw/zinc/23/91/18/884239118.db2.gz KYMKCDFVUXGHBY-UHFFFAOYSA-N 1 0 395.890 3.578 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000476295711 884388730 /nfs/dbraw/zinc/38/87/30/884388730.db2.gz MUZIGOPKPFXNRX-FCHUYYIVSA-N 1 0 381.516 3.871 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000127572249 884406253 /nfs/dbraw/zinc/40/62/53/884406253.db2.gz SMVKMLXNXZALBS-SJORKVTESA-N 1 0 392.503 3.718 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)cn1 ZINC000860206657 884416756 /nfs/dbraw/zinc/41/67/56/884416756.db2.gz VQBYLPRMWFKTJA-VGSWGCGISA-N 1 0 392.503 3.775 20 30 GHEDRO CC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCC2(CC1)OCCO2 ZINC000897720388 884420767 /nfs/dbraw/zinc/42/07/67/884420767.db2.gz QFMFOSGRPLXYLZ-UHFFFAOYSA-N 1 0 394.519 3.877 20 30 GHEDRO CC(=O)/C=C(/C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183794257 912823529 /nfs/dbraw/zinc/82/35/29/912823529.db2.gz KUFHPIYHHYCDQV-UUOUJJQOSA-N 1 0 380.463 3.650 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(CC#N)cc3)c(C)c2)CC1 ZINC000170701583 884516031 /nfs/dbraw/zinc/51/60/31/884516031.db2.gz ZBAVFWLETWXMAM-UHFFFAOYSA-N 1 0 377.492 3.847 20 30 GHEDRO Fc1nc(F)c(F)c(N=NCc2ccc(OCC[NH+]3CCCC3)cc2)c1F ZINC000914691713 884523398 /nfs/dbraw/zinc/52/33/98/884523398.db2.gz HCRKAGKBXAULNU-UHFFFAOYSA-N 1 0 382.361 3.559 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)cc1OC ZINC000897949617 884525173 /nfs/dbraw/zinc/52/51/73/884525173.db2.gz ZIABTBKVXHRPML-FOIQADDNSA-N 1 0 389.879 3.745 20 30 GHEDRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2)c1 ZINC000117390324 884551565 /nfs/dbraw/zinc/55/15/65/884551565.db2.gz ZCWCPABVMUQALX-HXUWFJFHSA-N 1 0 378.520 3.804 20 30 GHEDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000130360205 884601825 /nfs/dbraw/zinc/60/18/25/884601825.db2.gz CEAUQSQRKRXANK-UHFFFAOYSA-N 1 0 377.366 3.813 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1)C(C)C ZINC000130460083 884670473 /nfs/dbraw/zinc/67/04/73/884670473.db2.gz RVUUJLLZRALPDJ-UHFFFAOYSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286702430 912859895 /nfs/dbraw/zinc/85/98/95/912859895.db2.gz BIIQYQPHUYFADQ-AOIWGVFYSA-N 1 0 386.565 3.578 20 30 GHEDRO C[NH+]=C(NCC1CCSCC1)N(C)Cc1ccc(Br)s1 ZINC000262809919 884784872 /nfs/dbraw/zinc/78/48/72/884784872.db2.gz UANFINJOFAFTEP-UHFFFAOYSA-N 1 0 376.389 3.661 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001183890991 912876629 /nfs/dbraw/zinc/87/66/29/912876629.db2.gz FJKKXGNILPMGIF-IBGZPJMESA-N 1 0 378.520 3.661 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1cccc(O[C@@H](C#N)CC)c1 ZINC000806806819 885008745 /nfs/dbraw/zinc/00/87/45/885008745.db2.gz FIZDZTLYHSIKOH-HXUWFJFHSA-N 1 0 386.540 3.775 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H](O)c3cccc(OCc4ccccc4)c3)n2c1 ZINC000152395479 885009126 /nfs/dbraw/zinc/00/91/26/885009126.db2.gz QKKQUBUYBLZLCV-HSZRJFAPSA-N 1 0 398.466 3.608 20 30 GHEDRO N#CCCCCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000170886389 885158137 /nfs/dbraw/zinc/15/81/37/885158137.db2.gz QOKWITMMVHCRGU-UHFFFAOYSA-N 1 0 382.430 3.617 20 30 GHEDRO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000556511189 885173459 /nfs/dbraw/zinc/17/34/59/885173459.db2.gz DNQWJCCPCAKLBA-MNKBLEIRSA-N 1 0 378.472 3.619 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000498646752 885183370 /nfs/dbraw/zinc/18/33/70/885183370.db2.gz OKWQIQITDFBWTA-UHFFFAOYSA-N 1 0 378.476 3.549 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC000610809715 885280075 /nfs/dbraw/zinc/28/00/75/885280075.db2.gz QEOLFVSTLFJTCX-XXBNENTESA-N 1 0 389.547 3.565 20 30 GHEDRO Cc1cc(Cl)c(C#N)c(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170526177 885486424 /nfs/dbraw/zinc/48/64/24/885486424.db2.gz VYEPZILBXGSOAT-UHFFFAOYSA-N 1 0 393.922 3.825 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000807662339 885593383 /nfs/dbraw/zinc/59/33/83/885593383.db2.gz CFDDJJMSCUKVGU-HRTMPFAESA-N 1 0 397.563 3.723 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000807650395 885608414 /nfs/dbraw/zinc/60/84/14/885608414.db2.gz KCZYUDDVBDHMSQ-HSZRJFAPSA-N 1 0 378.516 3.837 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc(OC)c1OC ZINC000807741168 885675487 /nfs/dbraw/zinc/67/54/87/885675487.db2.gz YWVCFCLLKNFCSV-LAUBAEHRSA-N 1 0 394.515 3.825 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000286906991 912964777 /nfs/dbraw/zinc/96/47/77/912964777.db2.gz FQBRUOWUGUUCGN-GHTZIAJQSA-N 1 0 396.535 3.591 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000108533036 885774147 /nfs/dbraw/zinc/77/41/47/885774147.db2.gz IGOQTTUPUYIWBM-KRWDZBQOSA-N 1 0 397.548 3.929 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)C(C)(C)C ZINC000861735358 885804593 /nfs/dbraw/zinc/80/45/93/885804593.db2.gz OSMSDNHFHJRBIC-GUDVDZBRSA-N 1 0 381.545 3.523 20 30 GHEDRO C=CCOCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001131081609 885815114 /nfs/dbraw/zinc/81/51/14/885815114.db2.gz XOQPALIMWLNBCA-ILBGXUMGSA-N 1 0 392.543 3.785 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000762302926 885968950 /nfs/dbraw/zinc/96/89/50/885968950.db2.gz KVKDOOGIXTZNFZ-VXKWHMMOSA-N 1 0 377.488 3.541 20 30 GHEDRO COc1ccc([C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000915215847 886027399 /nfs/dbraw/zinc/02/73/99/886027399.db2.gz OBSGJWINNNHEJL-CVDCTZTESA-N 1 0 398.466 3.973 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(CC2CC2)C(C)C)c1=S ZINC000915207558 886027814 /nfs/dbraw/zinc/02/78/14/886027814.db2.gz BZVSTVQPHDDECJ-UHFFFAOYSA-N 1 0 377.602 3.706 20 30 GHEDRO CCc1noc(C2CCC([NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)CC2)n1 ZINC000498933098 886109792 /nfs/dbraw/zinc/10/97/92/886109792.db2.gz KKYBYTOEMPOCSR-ABHNRTSZSA-N 1 0 397.498 3.928 20 30 GHEDRO Cc1ccc(F)c2[nH]c(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc21 ZINC000862138099 886150323 /nfs/dbraw/zinc/15/03/23/886150323.db2.gz VRLVILDNLXWQLF-UHFFFAOYSA-N 1 0 390.462 3.882 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000808451155 886360538 /nfs/dbraw/zinc/36/05/38/886360538.db2.gz IECXAKOBIGEISI-UHFFFAOYSA-N 1 0 377.448 3.758 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3COc4ccccc4[C@H]3O)c2)c1 ZINC000808453311 886364095 /nfs/dbraw/zinc/36/40/95/886364095.db2.gz DAEPEUNLIKNQTJ-LADGPHEKSA-N 1 0 386.451 3.721 20 30 GHEDRO CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000556873961 886440576 /nfs/dbraw/zinc/44/05/76/886440576.db2.gz YMEQSXQDJMCMDW-UHFFFAOYSA-N 1 0 391.515 3.866 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000777264937 886461564 /nfs/dbraw/zinc/46/15/64/886461564.db2.gz HMIPJHGYLHGCEL-NRFANRHFSA-N 1 0 382.548 3.707 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000556896412 886497562 /nfs/dbraw/zinc/49/75/62/886497562.db2.gz FZHDFFKPHILVPD-KKSFZXQISA-N 1 0 377.463 3.508 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)CC1 ZINC000119281285 886515352 /nfs/dbraw/zinc/51/53/52/886515352.db2.gz BVMACXMGZPFFQT-UHFFFAOYSA-N 1 0 385.552 3.761 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2C(C)(C)C)CC1 ZINC000670199838 886806727 /nfs/dbraw/zinc/80/67/27/886806727.db2.gz XGSWZEVQWVJSJL-UHFFFAOYSA-N 1 0 391.943 3.733 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNC[C@H]2COc3ccccc3O2)CC1 ZINC000863198880 886916303 /nfs/dbraw/zinc/91/63/03/886916303.db2.gz OKQJQMPUCXXWBP-LBAQZLPGSA-N 1 0 379.504 3.847 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670209827 887078057 /nfs/dbraw/zinc/07/80/57/887078057.db2.gz OWQYZCMTSNMHRU-NRFANRHFSA-N 1 0 395.551 3.636 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670214540 887190076 /nfs/dbraw/zinc/19/00/76/887190076.db2.gz QTMSWJINZAYGGF-OAQYLSRUSA-N 1 0 379.552 3.704 20 30 GHEDRO C#CCCOc1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)cc1 ZINC000119679027 887413737 /nfs/dbraw/zinc/41/37/37/887413737.db2.gz RPFKCAGYNHQHGK-UHFFFAOYSA-N 1 0 378.516 3.905 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc2ccccc2n1CC#N ZINC000729652386 887700066 /nfs/dbraw/zinc/70/00/66/887700066.db2.gz TXMLJGZLWJQGOJ-UGKGYDQZSA-N 1 0 384.483 3.921 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1O ZINC000809731793 887714653 /nfs/dbraw/zinc/71/46/53/887714653.db2.gz RDOIVCJRERBAEA-UHFFFAOYSA-N 1 0 388.309 3.590 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794669509 887717369 /nfs/dbraw/zinc/71/73/69/887717369.db2.gz UKYZDXNUGGQUCX-UXHICEINSA-N 1 0 377.469 3.623 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000794669975 887717460 /nfs/dbraw/zinc/71/74/60/887717460.db2.gz FDSSPPDHVLFFBK-RPWUZVMVSA-N 1 0 385.467 3.951 20 30 GHEDRO C=C1CC=C(F)C=C1NC(=O)[C@H]1C[N@H+](C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001184444747 913202285 /nfs/dbraw/zinc/20/22/85/913202285.db2.gz XKJKMGHLLANKGI-QGZVFWFLSA-N 1 0 393.503 3.520 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1F ZINC001184408820 913206312 /nfs/dbraw/zinc/20/63/12/913206312.db2.gz WWNITLDSUXFKMI-GOSISDBHSA-N 1 0 385.870 3.879 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)ccn1 ZINC000810049029 888095343 /nfs/dbraw/zinc/09/53/43/888095343.db2.gz RAKSTWFKRVLRIB-APWZRJJASA-N 1 0 386.293 3.661 20 30 GHEDRO CCN(CC)c1ncc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000122800138 888328861 /nfs/dbraw/zinc/32/88/61/888328861.db2.gz HYHHMWXWHYSVPR-UHFFFAOYSA-N 1 0 383.565 3.569 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000810299703 888363991 /nfs/dbraw/zinc/36/39/91/888363991.db2.gz HFZGCPDTUHYURN-UHFFFAOYSA-N 1 0 389.499 3.664 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000763240505 888381337 /nfs/dbraw/zinc/38/13/37/888381337.db2.gz JIMNLXORERFTLZ-BJKOFHAPSA-N 1 0 399.494 3.639 20 30 GHEDRO C=CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(NC(=O)OC(C)(C)C)cc3)C2=O)CC1 ZINC000794852181 888455618 /nfs/dbraw/zinc/45/56/18/888455618.db2.gz IOTNSYXGNREVKI-GOSISDBHSA-N 1 0 399.491 3.564 20 30 GHEDRO CC[NH+](CC)CCN1c2ccccc2C(=NNc2nccc3sccc32)C1=O ZINC000915980351 888594558 /nfs/dbraw/zinc/59/45/58/888594558.db2.gz VAXKGPCUWLKYPX-UHFFFAOYSA-N 1 0 393.516 3.801 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccccc3CC#N)cc2)CC1 ZINC000865988844 888680712 /nfs/dbraw/zinc/68/07/12/888680712.db2.gz GJSCDELLOCFGDR-UHFFFAOYSA-N 1 0 376.504 3.783 20 30 GHEDRO CC(C)([NH3+])CN(c1cc(CC#N)cc2ccccc21)S(=O)(=O)c1ccccc1 ZINC001170611081 888687372 /nfs/dbraw/zinc/68/73/72/888687372.db2.gz VXVJCWNURGBAAZ-UHFFFAOYSA-N 1 0 393.512 3.838 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc(OC)c1OC ZINC001132400561 888769441 /nfs/dbraw/zinc/76/94/41/888769441.db2.gz MDHAWLFMMWZXHY-FQEVSTJZSA-N 1 0 386.536 3.959 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)CC1 ZINC000747624805 888840425 /nfs/dbraw/zinc/84/04/25/888840425.db2.gz BNZTVCAQYCKMFS-UHFFFAOYSA-N 1 0 381.457 3.947 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1NC(C)=O ZINC000866449028 888883390 /nfs/dbraw/zinc/88/33/90/888883390.db2.gz PQIKBMXACDXFMM-INIZCTEOSA-N 1 0 392.503 3.845 20 30 GHEDRO C=CC[C@]1(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000810842295 888932863 /nfs/dbraw/zinc/93/28/63/888932863.db2.gz URFGPXOTWCLMMK-LLGFUMIMSA-N 1 0 378.513 3.502 20 30 GHEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000867954125 889235659 /nfs/dbraw/zinc/23/56/59/889235659.db2.gz JAJJHINHQWPWSK-UYAOXDASSA-N 1 0 388.496 3.718 20 30 GHEDRO CCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000532948869 889359945 /nfs/dbraw/zinc/35/99/45/889359945.db2.gz RPPMGGDXBJUTTA-GCJKJVERSA-N 1 0 376.504 3.654 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000454696083 889533543 /nfs/dbraw/zinc/53/35/43/889533543.db2.gz HZDVWCJEECJJPE-KRWDZBQOSA-N 1 0 398.894 3.864 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000063398969 889601231 /nfs/dbraw/zinc/60/12/31/889601231.db2.gz ZBOYSRBECQUHED-KRWDZBQOSA-N 1 0 388.493 3.657 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000811482110 889632778 /nfs/dbraw/zinc/63/27/78/889632778.db2.gz SEYUSMDUBIZCKK-MRXNPFEDSA-N 1 0 383.414 3.970 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454812153 889808332 /nfs/dbraw/zinc/80/83/32/889808332.db2.gz PNTLJQKZCAYIMR-UNMCSNQZSA-N 1 0 399.579 3.959 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[NH+](CC3CCCCC3)CC2)c2ccccc21 ZINC000064129551 889856564 /nfs/dbraw/zinc/85/65/64/889856564.db2.gz BTRZUMZHHUIMMI-UHFFFAOYSA-N 1 0 392.547 3.936 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000869397145 889920201 /nfs/dbraw/zinc/92/02/01/889920201.db2.gz FLXJTKQBGUMQAU-MRXNPFEDSA-N 1 0 389.455 3.839 20 30 GHEDRO CC(C)[C@H](CNC(=O)Nc1ccc(CC#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000125274719 889934030 /nfs/dbraw/zinc/93/40/30/889934030.db2.gz SOMSKUHWUKAYKL-QFIPXVFZSA-N 1 0 376.504 3.957 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000811874312 890068509 /nfs/dbraw/zinc/06/85/09/890068509.db2.gz KFASWVBCVAWSHL-DENIHFKCSA-N 1 0 395.934 3.878 20 30 GHEDRO CC[N@H+](CC(=O)NCCCN(C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000533248154 890085679 /nfs/dbraw/zinc/08/56/79/890085679.db2.gz MQTXMQFQYXHRFE-LJQANCHMSA-N 1 0 378.520 3.584 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H]3COc3ccccc3)C2=O)cc1 ZINC001170651824 890183527 /nfs/dbraw/zinc/18/35/27/890183527.db2.gz YUQFKCUMJRHSOT-RBBKRZOGSA-N 1 0 375.472 3.597 20 30 GHEDRO C[C@H](CCSc1ccccc1)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000122947985 890214544 /nfs/dbraw/zinc/21/45/44/890214544.db2.gz MWUOUKMVEYXKGV-QGZVFWFLSA-N 1 0 399.560 3.856 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000123141089 890363854 /nfs/dbraw/zinc/36/38/54/890363854.db2.gz SZEILYGCHUFICX-JOCHJYFZSA-N 1 0 377.488 3.650 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000533369431 890398341 /nfs/dbraw/zinc/39/83/41/890398341.db2.gz ZDEXDMLIBWOJPU-QFIPXVFZSA-N 1 0 385.508 3.604 20 30 GHEDRO N#Cc1cnc(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000870966833 890589528 /nfs/dbraw/zinc/58/95/28/890589528.db2.gz VFNMJIZCJHAGEN-UHFFFAOYSA-N 1 0 382.895 3.639 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871095434 890643335 /nfs/dbraw/zinc/64/33/35/890643335.db2.gz UEFIEOSZBFWPEK-LNLFQRSKSA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)CC1 ZINC001170686076 890922985 /nfs/dbraw/zinc/92/29/85/890922985.db2.gz VUVWLEJHIPYBOF-KRWDZBQOSA-N 1 0 376.447 3.543 20 30 GHEDRO Cc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000455472940 890998690 /nfs/dbraw/zinc/99/86/90/890998690.db2.gz JLAGRNIKYOGBTI-UHFFFAOYSA-N 1 0 377.492 3.618 20 30 GHEDRO C[C@@H]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455531381 891096171 /nfs/dbraw/zinc/09/61/71/891096171.db2.gz DKSPSOFOOJWQHY-QGZVFWFLSA-N 1 0 380.467 3.503 20 30 GHEDRO C#C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812933754 891139045 /nfs/dbraw/zinc/13/90/45/891139045.db2.gz LXXWFGPIIGNJFN-UGKGYDQZSA-N 1 0 379.479 3.664 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000812936147 891144818 /nfs/dbraw/zinc/14/48/18/891144818.db2.gz MKLFAZIMJCOTAR-KPFFTGBYSA-N 1 0 385.508 3.944 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)CCOCC1 ZINC000872238577 891213954 /nfs/dbraw/zinc/21/39/54/891213954.db2.gz IPZHQWUPIMMUGO-WIYYLYMNSA-N 1 0 396.535 3.845 20 30 GHEDRO CSc1nnc(SC)n1[NH+]=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000872417692 891256947 /nfs/dbraw/zinc/25/69/47/891256947.db2.gz KPUPPYNHELBFCM-CYBMUJFWSA-N 1 0 379.511 3.643 20 30 GHEDRO CC[NH+](CC)CC(C)(C)COC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000813151990 891341473 /nfs/dbraw/zinc/34/14/73/891341473.db2.gz ATWFWNAMOHUPBP-UHFFFAOYSA-N 1 0 389.515 3.825 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(OCC#N)cc2)[C@H]1c1cccs1 ZINC000247462337 891379390 /nfs/dbraw/zinc/37/93/90/891379390.db2.gz QVGYOXRJZRZZCV-XLIONFOSSA-N 1 0 398.532 3.533 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000067679845 891408840 /nfs/dbraw/zinc/40/88/40/891408840.db2.gz LTPRTHLROCJCSN-LJQANCHMSA-N 1 0 398.551 3.743 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)COc3cccc(C#N)c3)cc2)C1 ZINC000917154597 891528707 /nfs/dbraw/zinc/52/87/07/891528707.db2.gz NFIAMKLRYQQJNJ-RTBURBONSA-N 1 0 391.515 3.731 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccccc1C ZINC000917204605 891569928 /nfs/dbraw/zinc/56/99/28/891569928.db2.gz FGWUHBFEGUKHLJ-UHFFFAOYSA-N 1 0 384.549 3.776 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873308132 891572630 /nfs/dbraw/zinc/57/26/30/891572630.db2.gz AWABHYIEDIFXJF-AGIUHOORSA-N 1 0 386.443 3.682 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCCN(c3ccc(C)cc3)CC2)c(C#N)c1C ZINC000917211856 891629886 /nfs/dbraw/zinc/62/98/86/891629886.db2.gz LXSMVXJWXASQEY-QGZVFWFLSA-N 1 0 380.492 3.616 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC(C)(C)C)cc1 ZINC000127692900 891689468 /nfs/dbraw/zinc/68/94/68/891689468.db2.gz QIUSUCGCSDNMEH-UHFFFAOYSA-O 1 0 386.497 3.826 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873698820 891761636 /nfs/dbraw/zinc/76/16/36/891761636.db2.gz SUBKOBXEGYSUAM-RBUKOAKNSA-N 1 0 387.572 3.591 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000546711182 891910577 /nfs/dbraw/zinc/91/05/77/891910577.db2.gz HVJJCUJLBBBVTF-QFBILLFUSA-N 1 0 378.476 3.741 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814176654 892336849 /nfs/dbraw/zinc/33/68/49/892336849.db2.gz RSZNLHAFXRADPC-TZIWHRDSSA-N 1 0 384.520 3.920 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccc5c(c4)OCO5)CCCCC3)n2c1 ZINC000237856785 892436772 /nfs/dbraw/zinc/43/67/72/892436772.db2.gz FVOOXDNZLJLMLN-UHFFFAOYSA-N 1 0 388.471 3.926 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000272558126 892909846 /nfs/dbraw/zinc/90/98/46/892909846.db2.gz JGQXKASHQCQYLZ-GOSISDBHSA-N 1 0 382.508 3.640 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508731072 893019588 /nfs/dbraw/zinc/01/95/88/893019588.db2.gz UPKBFYWRNPNVDF-UHFFFAOYSA-N 1 0 378.524 3.503 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1)CC(F)(F)F ZINC000747967338 893020223 /nfs/dbraw/zinc/02/02/23/893020223.db2.gz LSKDFZCVCLXIQZ-AWEZNQCLSA-N 1 0 389.849 3.948 20 30 GHEDRO C=CCNc1ncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000129138581 893086118 /nfs/dbraw/zinc/08/61/18/893086118.db2.gz SYNNHNZUTYNTHA-AEFFLSMTSA-N 1 0 384.549 3.866 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000455730737 893110828 /nfs/dbraw/zinc/11/08/28/893110828.db2.gz KRZNDCFPRIVIDG-LJQANCHMSA-N 1 0 386.883 3.839 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000563013895 893278038 /nfs/dbraw/zinc/27/80/38/893278038.db2.gz NHHSZMPMQKWHQM-MAUKXSAKSA-N 1 0 392.421 3.732 20 30 GHEDRO COc1ccc(C)cc1C1(C[NH2+]Cc2cc(C#N)cnc2Cl)CCOCC1 ZINC000876968545 893413394 /nfs/dbraw/zinc/41/33/94/893413394.db2.gz QDLVDEXVNBXUOF-UHFFFAOYSA-N 1 0 385.895 3.762 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459398719 893423542 /nfs/dbraw/zinc/42/35/42/893423542.db2.gz FVVRYDCZJXQDIV-IRXDYDNUSA-N 1 0 378.476 3.713 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000877036117 893450636 /nfs/dbraw/zinc/45/06/36/893450636.db2.gz NXWSTKSXPMQFNY-AWEZNQCLSA-N 1 0 378.810 3.577 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000877086443 893477186 /nfs/dbraw/zinc/47/71/86/893477186.db2.gz YKWQDMZTNNXHHM-WMZHIEFXSA-N 1 0 394.515 3.988 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC001137119359 893570437 /nfs/dbraw/zinc/57/04/37/893570437.db2.gz ITMFFGOFUXRMHO-UHFFFAOYSA-N 1 0 377.444 3.580 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)CC2=O)cc1 ZINC001137119364 893570604 /nfs/dbraw/zinc/57/06/04/893570604.db2.gz IYYCZIDRTLDAPI-QHCPKHFHSA-N 1 0 375.472 3.526 20 30 GHEDRO N#Cc1ccc(OC2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000459483943 893598114 /nfs/dbraw/zinc/59/81/14/893598114.db2.gz MYPPTGNQPWMIIK-FQEVSTJZSA-N 1 0 379.479 3.815 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249033141 893629009 /nfs/dbraw/zinc/62/90/09/893629009.db2.gz MGQBUKLBWWKNJP-KXBFYZLASA-N 1 0 394.357 3.547 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137121580 893653183 /nfs/dbraw/zinc/65/31/83/893653183.db2.gz STBDSAQRGNJWIP-UHFFFAOYSA-N 1 0 377.444 3.513 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)cc1 ZINC001137122407 893697680 /nfs/dbraw/zinc/69/76/80/893697680.db2.gz ACLYNDJRYXCULG-IBGZPJMESA-N 1 0 376.460 3.601 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000877584724 893703122 /nfs/dbraw/zinc/70/31/22/893703122.db2.gz IXMVPUNFROTMGB-FCGDIQPGSA-N 1 0 391.556 3.711 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000877584727 893703222 /nfs/dbraw/zinc/70/32/22/893703222.db2.gz IXMVPUNFROTMGB-NCXUSEDFSA-N 1 0 391.556 3.711 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000934558356 893712171 /nfs/dbraw/zinc/71/21/71/893712171.db2.gz ZUPXEIFIKMJANI-QZTJIDSGSA-N 1 0 379.508 3.669 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000877610774 893717889 /nfs/dbraw/zinc/71/78/89/893717889.db2.gz YLAGUOYLNLYNRZ-XWSJACJDSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877612467 893719781 /nfs/dbraw/zinc/71/97/81/893719781.db2.gz QJAFMHBFWFDYJW-BRWVUGGUSA-N 1 0 377.529 3.511 20 30 GHEDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000877615079 893720204 /nfs/dbraw/zinc/72/02/04/893720204.db2.gz MTLKHPBIRSOINH-MRDQGFSESA-N 1 0 377.469 3.835 20 30 GHEDRO C[C@@H]1CN(c2ccccc2C[NH2+]C2CCN(c3ccccc3C#N)CC2)CCO1 ZINC000877681712 893760394 /nfs/dbraw/zinc/76/03/94/893760394.db2.gz ALKDKTAHSKSNNB-LJQANCHMSA-N 1 0 390.531 3.542 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2snc(C)c2C#N)CC1)CC(C)C ZINC000459558159 893804391 /nfs/dbraw/zinc/80/43/91/893804391.db2.gz ILSQQHDEVDPGDC-UHFFFAOYSA-N 1 0 377.558 3.935 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)ccc1OC(F)(F)F ZINC000563493476 893822332 /nfs/dbraw/zinc/82/23/32/893822332.db2.gz RMLGKVXDPWBQAE-CJNGLKHVSA-N 1 0 396.413 3.843 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000878047898 893979430 /nfs/dbraw/zinc/97/94/30/893979430.db2.gz KREZNXCJVKAJKB-REWPJTCUSA-N 1 0 376.456 3.993 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1)CC(F)(F)F ZINC000878163050 894061835 /nfs/dbraw/zinc/06/18/35/894061835.db2.gz SYVBXMMPDNHIMU-UYAOXDASSA-N 1 0 395.469 3.633 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c2ccncc12 ZINC001135189799 894167720 /nfs/dbraw/zinc/16/77/20/894167720.db2.gz MLAMXBIHRDOWGT-UHFFFAOYSA-N 1 0 399.498 3.727 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC)cc1 ZINC000022733708 894334689 /nfs/dbraw/zinc/33/46/89/894334689.db2.gz XZDOJBAERHAHSU-UHFFFAOYSA-O 1 0 386.497 3.944 20 30 GHEDRO N#CC1(CC(=O)O[C@H]2CCC[C@H]2[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000815964837 894339296 /nfs/dbraw/zinc/33/92/96/894339296.db2.gz UCBJFLLHOJDDGD-MOPGFXCFSA-N 1 0 387.911 3.620 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCOCC1 ZINC000537221012 894586719 /nfs/dbraw/zinc/58/67/19/894586719.db2.gz RDQOXNPAULUUFU-WBVHZDCISA-N 1 0 375.538 3.672 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C)c1ccccc1 ZINC000878814783 894637373 /nfs/dbraw/zinc/63/73/73/894637373.db2.gz UHRNRNLVQDPPKW-XTQVGHSUSA-N 1 0 399.535 3.805 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccccc1 ZINC000878937617 894737072 /nfs/dbraw/zinc/73/70/72/894737072.db2.gz YESDMUFRYSFPEG-DQEYMECFSA-N 1 0 389.543 3.676 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC000879038162 894800963 /nfs/dbraw/zinc/80/09/63/894800963.db2.gz QJDHFHYNFHMOJL-DHJUGAMNSA-N 1 0 384.520 3.727 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000460270992 894952850 /nfs/dbraw/zinc/95/28/50/894952850.db2.gz WOGNAOVWTBOZEU-UHFFFAOYSA-N 1 0 394.357 3.942 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000564429243 894973890 /nfs/dbraw/zinc/97/38/90/894973890.db2.gz OWZCVIRTPHTZTA-HXUWFJFHSA-N 1 0 384.455 3.528 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)c1 ZINC000564530383 895057889 /nfs/dbraw/zinc/05/78/89/895057889.db2.gz PJBOZZLZRGBOBA-QFIPXVFZSA-N 1 0 381.520 3.725 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)C[C@H](C)O1 ZINC000564713304 895203020 /nfs/dbraw/zinc/20/30/20/895203020.db2.gz OPYAGQRESYTTAI-GJZGRUSLSA-N 1 0 396.457 3.688 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)CCC2 ZINC000879669176 895217487 /nfs/dbraw/zinc/21/74/87/895217487.db2.gz JMXGQRBXKCJWGR-ZIAGYGMSSA-N 1 0 383.439 3.924 20 30 GHEDRO Cn1cc(CN2CCO[C@H](c3ccc(C#N)cc3)C2)c(-c2ccc(F)cc2)n1 ZINC000897595448 895224044 /nfs/dbraw/zinc/22/40/44/895224044.db2.gz BUWABESCEVKDME-NRFANRHFSA-N 1 0 376.435 3.671 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000127941496 895234673 /nfs/dbraw/zinc/23/46/73/895234673.db2.gz UCGOIZRVWBGAIC-HXUWFJFHSA-N 1 0 376.504 3.524 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734925 895261371 /nfs/dbraw/zinc/26/13/71/895261371.db2.gz PZFWXGTTWWCJHO-LPHOPBHVSA-N 1 0 387.549 3.958 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000565436041 895623277 /nfs/dbraw/zinc/62/32/77/895623277.db2.gz DASCDTTXLTXUCE-OAQYLSRUSA-N 1 0 394.906 3.576 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCCOC1 ZINC000880467399 895721845 /nfs/dbraw/zinc/72/18/45/895721845.db2.gz ZUCXYUUXKYCQHR-LPHOPBHVSA-N 1 0 377.916 3.690 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880927495 896004714 /nfs/dbraw/zinc/00/47/14/896004714.db2.gz IAPFHSIVKPJOON-KRWDZBQOSA-N 1 0 382.430 3.677 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)CC2 ZINC000565977281 896022813 /nfs/dbraw/zinc/02/28/13/896022813.db2.gz ISJISKVZEGMTLJ-DNVCBOLYSA-N 1 0 390.405 3.885 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000880988314 896048858 /nfs/dbraw/zinc/04/88/58/896048858.db2.gz VOEAZFCLNFYNNF-UHFFFAOYSA-N 1 0 386.393 3.886 20 30 GHEDRO COC(=O)c1cccc(CN(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1C#N ZINC000566306017 896227027 /nfs/dbraw/zinc/22/70/27/896227027.db2.gz DHKPTNWEBUNIMN-QGZVFWFLSA-N 1 0 397.544 3.669 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1c(C)onc1-c1ccc(Cl)cc1Cl ZINC000818609373 896235029 /nfs/dbraw/zinc/23/50/29/896235029.db2.gz RXEMOJKWPBEACT-UHFFFAOYSA-N 1 0 380.275 3.642 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000566407486 896293834 /nfs/dbraw/zinc/29/38/34/896293834.db2.gz MOZAIVHLPOCMQA-AVCGJXAMSA-N 1 0 391.515 3.524 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000128958680 896296807 /nfs/dbraw/zinc/29/68/07/896296807.db2.gz GZYJGTVWGYWFKL-UHFFFAOYSA-O 1 0 398.552 3.542 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 ZINC000819049684 896340135 /nfs/dbraw/zinc/34/01/35/896340135.db2.gz FURDZUCMMONUSD-PZJWPPBQSA-N 1 0 387.886 3.638 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)s1 ZINC000129136656 896415956 /nfs/dbraw/zinc/41/59/56/896415956.db2.gz RSJQTIQWALJION-UHFFFAOYSA-N 1 0 399.564 3.771 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000819110295 896416932 /nfs/dbraw/zinc/41/69/32/896416932.db2.gz AZGGIUNHMUVMIA-KGLIPLIRSA-N 1 0 385.986 3.582 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C)C[NH+]2CCCC2)s1 ZINC000819130054 896429260 /nfs/dbraw/zinc/42/92/60/896429260.db2.gz FEKBFKJYZLSZJZ-GFCCVEGCSA-N 1 0 388.002 3.687 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000819184000 896452527 /nfs/dbraw/zinc/45/25/27/896452527.db2.gz VLROZMXOALLSCB-VQTJNVASSA-N 1 0 387.524 3.629 20 30 GHEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819190598 896460152 /nfs/dbraw/zinc/46/01/52/896460152.db2.gz IPCGBFOEARKDAP-SGTLLEGYSA-N 1 0 377.257 3.714 20 30 GHEDRO C[N@H+](C[C@H](O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CC1 ZINC000819434674 896665479 /nfs/dbraw/zinc/66/54/79/896665479.db2.gz SNWZKIHFEHORAR-LJQANCHMSA-N 1 0 385.895 3.658 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc([C@H]2CCCOC2)nc1C)C(C)C ZINC000566929092 896704897 /nfs/dbraw/zinc/70/48/97/896704897.db2.gz LWPOXAAKKCUUIL-ROUUACIJSA-N 1 0 391.581 3.774 20 30 GHEDRO Cc1cc(NC[C@H](O)c2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000819476728 896744903 /nfs/dbraw/zinc/74/49/03/896744903.db2.gz LSKIAAFAIKYXHZ-QHCPKHFHSA-N 1 0 378.520 3.543 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000567103484 896876662 /nfs/dbraw/zinc/87/66/62/896876662.db2.gz FJXPUGXNPBSJJE-YOEHRIQHSA-N 1 0 377.941 3.925 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)sc2c1CCCC2 ZINC000567219470 896980926 /nfs/dbraw/zinc/98/09/26/896980926.db2.gz DJXDYOUWUXZAMI-QFBILLFUSA-N 1 0 395.528 3.635 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000778579267 896990835 /nfs/dbraw/zinc/99/08/35/896990835.db2.gz APZJMCBNWGVTHA-RDJZCZTQSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(CC(F)F)C(C)C)c1=S ZINC000130862222 897236216 /nfs/dbraw/zinc/23/62/16/897236216.db2.gz UIFWKXZGEZQQJL-UHFFFAOYSA-N 1 0 387.544 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]([C@H]2CCOC2)C1 ZINC000883222759 897382410 /nfs/dbraw/zinc/38/24/10/897382410.db2.gz ZTCQMECVPOMJOF-OKZBNKHCSA-N 1 0 379.545 3.568 20 30 GHEDRO N#CCCC1CC[NH+](CC(=O)NCc2ccccc2COc2ccccc2)CC1 ZINC000567791057 897400259 /nfs/dbraw/zinc/40/02/59/897400259.db2.gz FOCSUGSVHLTUSJ-UHFFFAOYSA-N 1 0 391.515 3.898 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000883623897 897767334 /nfs/dbraw/zinc/76/73/34/897767334.db2.gz IKWNBNYDPHORPJ-HXUWFJFHSA-N 1 0 393.478 3.525 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1 ZINC001136428485 897803727 /nfs/dbraw/zinc/80/37/27/897803727.db2.gz AVOMQZUEDAUDQP-FOCLMDBBSA-N 1 0 378.516 3.757 20 30 GHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000103251696 898077056 /nfs/dbraw/zinc/07/70/56/898077056.db2.gz OVVZTISPVHOPGE-DHZHZOJOSA-N 1 0 390.487 3.747 20 30 GHEDRO CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000569009308 898272077 /nfs/dbraw/zinc/27/20/77/898272077.db2.gz UPUDLBUABJKCPZ-QZTJIDSGSA-N 1 0 378.438 3.684 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1c(F)cccc1N1CCCC1 ZINC000569039401 898292621 /nfs/dbraw/zinc/29/26/21/898292621.db2.gz XGJHFNFMWXTHOD-UHFFFAOYSA-N 1 0 380.511 3.861 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000822644575 898528600 /nfs/dbraw/zinc/52/86/00/898528600.db2.gz VFWYBYCLONYFDT-UHFFFAOYSA-N 1 0 393.531 3.963 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C1 ZINC000569360402 898575841 /nfs/dbraw/zinc/57/58/41/898575841.db2.gz RXMQXSSVLNEKCV-LJQANCHMSA-N 1 0 380.540 3.641 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000569487057 898705487 /nfs/dbraw/zinc/70/54/87/898705487.db2.gz WMLSUZMDEPAGLV-UHFFFAOYSA-N 1 0 379.451 3.842 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1cc3ccccc3o1)c1ccccc1)C2 ZINC000884063980 898745806 /nfs/dbraw/zinc/74/58/06/898745806.db2.gz RYHZVWHLSMJLPS-DWAZJOGKSA-N 1 0 385.467 3.778 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)C2 ZINC000884096844 898860797 /nfs/dbraw/zinc/86/07/97/898860797.db2.gz KHUTYNLBWYARGC-SHYRYGCCSA-N 1 0 378.303 3.624 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)C2 ZINC000884099609 898867060 /nfs/dbraw/zinc/86/70/60/898867060.db2.gz UFJUPWRVLMIOJR-XPECPCTNSA-N 1 0 393.918 3.879 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C2 ZINC000884100020 898868850 /nfs/dbraw/zinc/86/88/50/898868850.db2.gz HDWSBHNVIGVXAQ-CAZWYBIWSA-N 1 0 385.920 3.746 20 30 GHEDRO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c2)C1 ZINC000884107063 898897407 /nfs/dbraw/zinc/89/74/07/898897407.db2.gz LDMXFQRDQFGXMY-RJBLLLFZSA-N 1 0 381.520 3.860 20 30 GHEDRO Cc1csc(Sc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c(C)c2)n1 ZINC000884117691 898944573 /nfs/dbraw/zinc/94/45/73/898944573.db2.gz JSDHOIRTZUDOPK-RDYUPDBUSA-N 1 0 398.557 3.989 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000112924750 898944930 /nfs/dbraw/zinc/94/49/30/898944930.db2.gz YNTQEQRELUGKQO-UHFFFAOYSA-N 1 0 381.476 3.534 20 30 GHEDRO CC(=O)NCCN(Cc1ccc(C)s1)Cc1ccc(C#N)cc1OC(F)F ZINC000569990046 899057159 /nfs/dbraw/zinc/05/71/59/899057159.db2.gz VBXCPJDKRUVPOV-UHFFFAOYSA-N 1 0 393.459 3.668 20 30 GHEDRO C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642646 899154310 /nfs/dbraw/zinc/15/43/10/899154310.db2.gz HXAYRPBTBJRNOJ-YLJYHZDGSA-N 1 0 399.535 3.703 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 ZINC001136759790 899178795 /nfs/dbraw/zinc/17/87/95/899178795.db2.gz NCIWDQRTLPJXTL-NQIIRXRSSA-N 1 0 385.552 3.978 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000570380974 899292211 /nfs/dbraw/zinc/29/22/11/899292211.db2.gz XENJWQLHAKFCBD-IRXDYDNUSA-N 1 0 378.501 3.783 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000823887110 899306233 /nfs/dbraw/zinc/30/62/33/899306233.db2.gz AZHBHMDRTUZWCX-VQIMIIECSA-N 1 0 386.517 3.664 20 30 GHEDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2NC(=N)c2ccc3ccccc3n2)n1C ZINC001171040776 899341981 /nfs/dbraw/zinc/34/19/81/899341981.db2.gz UXOBIRQKHBOFCT-UHFFFAOYSA-N 1 0 387.443 3.644 20 30 GHEDRO C=CCSCCNC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543767540 914340921 /nfs/dbraw/zinc/34/09/21/914340921.db2.gz KUEORKHELCELLD-LJQANCHMSA-N 1 0 399.564 3.679 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000570683709 899505760 /nfs/dbraw/zinc/50/57/60/899505760.db2.gz JJWKFJRDZMMLLX-JMJGKCIBSA-N 1 0 389.499 3.604 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289803063 914356800 /nfs/dbraw/zinc/35/68/00/914356800.db2.gz MNSUDRAFNCNIQA-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c2)CC1 ZINC000570804664 899604180 /nfs/dbraw/zinc/60/41/80/899604180.db2.gz KRDRNKBANUPTRD-XZOQPEGZSA-N 1 0 388.515 3.831 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000570836689 899628949 /nfs/dbraw/zinc/62/89/49/899628949.db2.gz JPELRRLXLRSNAL-RBBKRZOGSA-N 1 0 392.499 3.702 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000570868739 899654598 /nfs/dbraw/zinc/65/45/98/899654598.db2.gz ZLYASGYVTNBGHM-UHFFFAOYSA-N 1 0 386.908 3.958 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)cc1 ZINC000119672885 899662394 /nfs/dbraw/zinc/66/23/94/899662394.db2.gz WFSRLVLJBXILSU-UHFFFAOYSA-N 1 0 392.547 3.853 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000571196504 899776361 /nfs/dbraw/zinc/77/63/61/899776361.db2.gz QJDGCQAJNAUBON-AWEZNQCLSA-N 1 0 391.393 3.734 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136937151 899815068 /nfs/dbraw/zinc/81/50/68/899815068.db2.gz XFCTYEVBKNPGLB-FPOVZHCZSA-N 1 0 381.463 3.904 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cnc4c(C)cccn34)C2)CC1 ZINC001136958678 899884968 /nfs/dbraw/zinc/88/49/68/899884968.db2.gz ZTZNBRGXTLUUBC-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000571623173 899928730 /nfs/dbraw/zinc/92/87/30/899928730.db2.gz MTXSLXBSJUPVBG-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000121141027 899963827 /nfs/dbraw/zinc/96/38/27/899963827.db2.gz DAYPLDVMPVCDEX-JTSKRJEESA-N 1 0 377.488 3.549 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778804198 899984408 /nfs/dbraw/zinc/98/44/08/899984408.db2.gz LSQRFTLOGSJLOX-KNQAVFIVSA-N 1 0 393.506 3.881 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000825263314 900058534 /nfs/dbraw/zinc/05/85/34/900058534.db2.gz PTTGBOCUJJSQCD-QAPCUYQASA-N 1 0 390.524 3.912 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000825269262 900064982 /nfs/dbraw/zinc/06/49/82/900064982.db2.gz HVSWJXPVMSWVRP-UYAOXDASSA-N 1 0 398.551 3.810 20 30 GHEDRO C=CCn1c(-c2ccccn2)nn(CN2CCC(CC)([NH+]3CCC3)CC2)c1=S ZINC000884473736 900123010 /nfs/dbraw/zinc/12/30/10/900123010.db2.gz FNKYIINZKSTARO-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135267843 900211785 /nfs/dbraw/zinc/21/17/85/900211785.db2.gz YNJQHHRXZVMZFD-HNNXBMFYSA-N 1 0 376.476 3.750 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135342159 900227171 /nfs/dbraw/zinc/22/71/71/900227171.db2.gz FODSFQQXQUPKSF-GOSISDBHSA-N 1 0 396.466 3.714 20 30 GHEDRO C=CCCC[C@H](NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000884714356 900246139 /nfs/dbraw/zinc/24/61/39/900246139.db2.gz QLZPXCXCEKLOOW-UWJYYQICSA-N 1 0 379.504 3.536 20 30 GHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886043612 900688708 /nfs/dbraw/zinc/68/87/08/900688708.db2.gz GIDAQKUTIJRADG-GOSISDBHSA-N 1 0 379.545 3.543 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCC2)ccc1OCc1ccncc1 ZINC000886107512 900789048 /nfs/dbraw/zinc/78/90/48/900789048.db2.gz STHOUSWOIHXZIR-YLJYHZDGSA-N 1 0 395.503 3.765 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000574189153 900811015 /nfs/dbraw/zinc/81/10/15/900811015.db2.gz FXAMIAPDCJPWGV-IERDGZPVSA-N 1 0 379.479 3.754 20 30 GHEDRO Cn1nc(C(F)(F)F)c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1Cl ZINC000844382764 900812824 /nfs/dbraw/zinc/81/28/24/900812824.db2.gz IPKUOSZSCASQEU-UHFFFAOYSA-N 1 0 379.707 3.959 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc1OC ZINC000886302238 900925904 /nfs/dbraw/zinc/92/59/04/900925904.db2.gz IJAULBBESZXXIH-LJQANCHMSA-N 1 0 375.509 3.716 20 30 GHEDRO COC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCCOC1 ZINC000886359672 900954865 /nfs/dbraw/zinc/95/48/65/900954865.db2.gz IBQPLTZIUVUBNJ-JTHBVZDNSA-N 1 0 380.488 3.668 20 30 GHEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(CCC#N)cc2)CC1 ZINC000886403938 900982527 /nfs/dbraw/zinc/98/25/27/900982527.db2.gz YJTZPXKOAYDSSR-UHFFFAOYSA-N 1 0 397.544 3.822 20 30 GHEDRO N#Cc1cncc(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c1 ZINC001144075169 901039135 /nfs/dbraw/zinc/03/91/35/901039135.db2.gz LGPSEADODXXQRO-UHFFFAOYSA-N 1 0 378.520 3.514 20 30 GHEDRO CCOC(=O)C1CCN(c2ccccc2C[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001144104701 901072712 /nfs/dbraw/zinc/07/27/12/901072712.db2.gz PBNQCKLKNURLSJ-UHFFFAOYSA-N 1 0 391.515 3.970 20 30 GHEDRO C#CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)C1CC[NH+](C)CC1 ZINC000886584981 901178636 /nfs/dbraw/zinc/17/86/36/901178636.db2.gz BIVPUJWSCKQRLM-UHFFFAOYSA-N 1 0 399.585 3.913 20 30 GHEDRO C#CCC1([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000887125733 901447383 /nfs/dbraw/zinc/44/73/83/901447383.db2.gz HBRIYVCIUDNIME-UHFFFAOYSA-N 1 0 375.266 3.766 20 30 GHEDRO C#CCC1([NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CCOCC1 ZINC000887126127 901447863 /nfs/dbraw/zinc/44/78/63/901447863.db2.gz XSFXJYPCAWLFOD-LADGPHEKSA-N 1 0 393.527 3.624 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1OC ZINC000093134555 901533455 /nfs/dbraw/zinc/53/34/55/901533455.db2.gz LLHOBUPASQJAMX-GOSISDBHSA-N 1 0 382.508 3.567 20 30 GHEDRO COCCOC1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000093339628 901541706 /nfs/dbraw/zinc/54/17/06/901541706.db2.gz RTSQWJNKGMDXIM-UHFFFAOYSA-N 1 0 380.488 3.765 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3coc4cc(F)ccc34)CC2)c1 ZINC000845003063 901635211 /nfs/dbraw/zinc/63/52/11/901635211.db2.gz PHALAWPCIRYOPH-UHFFFAOYSA-N 1 0 391.446 3.767 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cscc2C#N)CC1 ZINC000576087520 901667190 /nfs/dbraw/zinc/66/71/90/901667190.db2.gz BLTUZPZEEIXBCI-UHFFFAOYSA-N 1 0 375.881 3.998 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)c1 ZINC001144356209 901884402 /nfs/dbraw/zinc/88/44/02/901884402.db2.gz IMDCPZDIXGZVCX-SFHVURJKSA-N 1 0 391.393 3.938 20 30 GHEDRO C[C@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@H]1n1ccnc1 ZINC000123134222 901901760 /nfs/dbraw/zinc/90/17/60/901901760.db2.gz NYPXODZQGUWGFU-OXJNMPFZSA-N 1 0 390.443 3.650 20 30 GHEDRO N#Cc1ccc(CCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000576319778 901941578 /nfs/dbraw/zinc/94/15/78/901941578.db2.gz CUOKNTOBOLYUHO-QHCPKHFHSA-N 1 0 375.516 3.909 20 30 GHEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000576511817 902068064 /nfs/dbraw/zinc/06/80/64/902068064.db2.gz MUSDRUCZVDVYKK-SFHVURJKSA-N 1 0 378.394 3.609 20 30 GHEDRO C=C(C)CONC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000845598882 902256500 /nfs/dbraw/zinc/25/65/00/902256500.db2.gz BPZURQIEMSKJEN-NVXWUHKLSA-N 1 0 385.430 3.895 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)n1cc(Br)ccc1=NCCCC[NH3+] ZINC001171193150 902262310 /nfs/dbraw/zinc/26/23/10/902262310.db2.gz UAJACULWKOUKSB-OAHLLOKOSA-N 1 0 387.325 3.566 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(C(=O)C4CC4)CC3)c2)c1 ZINC000047701203 902298419 /nfs/dbraw/zinc/29/84/19/902298419.db2.gz FYYQXIWWMVIMRN-UHFFFAOYSA-N 1 0 389.499 3.628 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000576916372 902355983 /nfs/dbraw/zinc/35/59/83/902355983.db2.gz FQICQZIAQJHLKZ-UHFFFAOYSA-N 1 0 398.511 3.740 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000127646457 902527585 /nfs/dbraw/zinc/52/75/85/902527585.db2.gz XCXCWFRMHLWCMR-NRFANRHFSA-N 1 0 382.483 3.650 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000778989275 902577531 /nfs/dbraw/zinc/57/75/31/902577531.db2.gz PSXUJLMFQDHCNR-UKRRQHHQSA-N 1 0 395.450 3.895 20 30 GHEDRO CCOc1cccc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c1OC(F)F ZINC000846005528 902585613 /nfs/dbraw/zinc/58/56/13/902585613.db2.gz GCOLPLIEDMMXSH-KRWDZBQOSA-N 1 0 376.403 3.724 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1OC ZINC000577240889 902609043 /nfs/dbraw/zinc/60/90/43/902609043.db2.gz JCHPDEXYWVKCGJ-PXNSSMCTSA-N 1 0 380.488 3.653 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000128153423 902616232 /nfs/dbraw/zinc/61/62/32/902616232.db2.gz FBRGGWRRXZOKKM-LJQANCHMSA-N 1 0 389.499 3.695 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001171211319 902648709 /nfs/dbraw/zinc/64/87/09/902648709.db2.gz CJZAVNAUSIWHNY-SBUREZEXSA-N 1 0 377.463 3.757 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 ZINC000846114233 902693558 /nfs/dbraw/zinc/69/35/58/902693558.db2.gz INIMFXNSTBIVIR-UHFFFAOYSA-N 1 0 384.867 3.874 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001171211698 902693582 /nfs/dbraw/zinc/69/35/82/902693582.db2.gz GJWKYBDVQKMMKB-ZFJSRUIDSA-N 1 0 391.515 3.834 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846115252 902693905 /nfs/dbraw/zinc/69/39/05/902693905.db2.gz SWVRYYHLJHWSDV-LEWJYISDSA-N 1 0 398.551 3.558 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(C)c1OC ZINC000846105845 902717730 /nfs/dbraw/zinc/71/77/30/902717730.db2.gz AKDUGSXUDXQDIT-UHFFFAOYSA-N 1 0 379.504 3.638 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001171215934 902752573 /nfs/dbraw/zinc/75/25/73/902752573.db2.gz DUIKHMOPUPYMKL-IBGZPJMESA-N 1 0 383.499 3.802 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001171217146 902754745 /nfs/dbraw/zinc/75/47/45/902754745.db2.gz NZOAUUUNMOFEOW-ULLYJBBUSA-N 1 0 377.488 3.585 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001171217380 902757175 /nfs/dbraw/zinc/75/71/75/902757175.db2.gz PAKSQZPQLSOCKB-KRWDZBQOSA-N 1 0 394.544 3.574 20 30 GHEDRO N#CCCCn1cc(-c2csc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)nn1 ZINC000887541420 902776729 /nfs/dbraw/zinc/77/67/29/902776729.db2.gz IKCWYKZVEUKMDK-QGZVFWFLSA-N 1 0 378.505 3.695 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccc5scnc5c4)C3)CC2=O)c1 ZINC001144736861 902777591 /nfs/dbraw/zinc/77/75/91/902777591.db2.gz DYMSHMNDPJVFCG-JOCHJYFZSA-N 1 0 388.496 3.797 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CCC(c2ccccc2)c2ccccc2)CCOCC1 ZINC000600713093 902837555 /nfs/dbraw/zinc/83/75/55/902837555.db2.gz DQHFJGNOJAUFLF-QFIPXVFZSA-N 1 0 378.516 3.870 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)cc2)cc1OC ZINC000264151910 902878060 /nfs/dbraw/zinc/87/80/60/902878060.db2.gz ZKGGIRSTZJOVGH-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001171232394 903064107 /nfs/dbraw/zinc/06/41/07/903064107.db2.gz RDRJRCMDJJRFCG-QFBILLFUSA-N 1 0 377.463 3.749 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000846827150 903220322 /nfs/dbraw/zinc/22/03/22/903220322.db2.gz YLJBGRWGQATVHL-SFHVURJKSA-N 1 0 390.531 3.906 20 30 GHEDRO C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1CCCC[C@H]1C ZINC000601184945 903439317 /nfs/dbraw/zinc/43/93/17/903439317.db2.gz ZBQQXDPNNFNTTO-MOPGFXCFSA-N 1 0 376.504 3.866 20 30 GHEDRO N#CCc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000578009160 903442360 /nfs/dbraw/zinc/44/23/60/903442360.db2.gz JYOAEYBVPKKRCL-HSZRJFAPSA-N 1 0 390.531 3.854 20 30 GHEDRO N#CC1(Nc2ncnc3cc(F)c(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171273853 903464130 /nfs/dbraw/zinc/46/41/30/903464130.db2.gz CGPSRYNCYARTCN-UHFFFAOYSA-N 1 0 379.414 3.878 20 30 GHEDRO N#CC1(Nc2cccc(COCC3CC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001171275220 903481961 /nfs/dbraw/zinc/48/19/61/903481961.db2.gz PWZSBLOYJRCTSZ-UHFFFAOYSA-N 1 0 376.504 3.978 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000264948735 903500403 /nfs/dbraw/zinc/50/04/03/903500403.db2.gz JSRZLBNLQUWKBT-SFHVURJKSA-N 1 0 392.499 3.597 20 30 GHEDRO COCCOc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000264955606 903505661 /nfs/dbraw/zinc/50/56/61/903505661.db2.gz MCDJEYGUKJMKAC-UHFFFAOYSA-N 1 0 390.487 3.779 20 30 GHEDRO N#Cc1nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC001171276576 903517746 /nfs/dbraw/zinc/51/77/46/903517746.db2.gz BRXMSFWNUMZTQQ-UHFFFAOYSA-N 1 0 396.292 3.686 20 30 GHEDRO COCOc1ccc(OC)cc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171276579 903519504 /nfs/dbraw/zinc/51/95/04/903519504.db2.gz BUKAVFPFEKUTQZ-UHFFFAOYSA-N 1 0 381.476 3.648 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1OCCCC#N ZINC000265271931 903769190 /nfs/dbraw/zinc/76/91/90/903769190.db2.gz UODPFZRITRLFGH-LJQANCHMSA-N 1 0 393.487 3.552 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001147589099 903829150 /nfs/dbraw/zinc/82/91/50/903829150.db2.gz STKVCIWITHQINZ-FQEVSTJZSA-N 1 0 394.519 3.574 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)c2ccc(CC[NH+]3CCCC3)nc2)nc1 ZINC001147975185 903924234 /nfs/dbraw/zinc/92/42/34/903924234.db2.gz MWEYMQMENNMETJ-UHFFFAOYSA-N 1 0 397.482 3.906 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N ZINC000578682692 904048666 /nfs/dbraw/zinc/04/86/66/904048666.db2.gz UOLPAYYPUDAABA-KPOBHBOGSA-N 1 0 382.895 3.574 20 30 GHEDRO C=CCOc1ccc(C(=O)NCCCP(CCC[NH3+])c2ccccc2)cc1 ZINC001148470001 904081560 /nfs/dbraw/zinc/08/15/60/904081560.db2.gz FDYMLXQJGQFFSM-UHFFFAOYSA-N 1 0 384.460 3.528 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000578902597 904214007 /nfs/dbraw/zinc/21/40/07/904214007.db2.gz DARZHMDYMXHTBK-YUXAGFNASA-N 1 0 391.515 3.524 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCc4c(F)cc(F)cc4C3)CC2)c1 ZINC001171355883 904344288 /nfs/dbraw/zinc/34/42/88/904344288.db2.gz VCYLDWUYADKCRO-OAQYLSRUSA-N 1 0 381.470 3.948 20 30 GHEDRO C#CCCCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000779129492 904450272 /nfs/dbraw/zinc/45/02/72/904450272.db2.gz XSLDOXNCSZRPHP-HXUWFJFHSA-N 1 0 377.456 3.851 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1nc2cc(Cl)ccn2c1C#N ZINC000579575330 904715994 /nfs/dbraw/zinc/71/59/94/904715994.db2.gz ZIJZTQVFGQRTKD-UHFFFAOYSA-N 1 0 394.910 3.997 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4cc(F)c(F)cc4C3)CC2)cc1 ZINC001171465892 904717083 /nfs/dbraw/zinc/71/70/83/904717083.db2.gz KMBYDDSQWYJNTN-FQEVSTJZSA-N 1 0 395.453 3.588 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000579676064 904802872 /nfs/dbraw/zinc/80/28/72/904802872.db2.gz AWOBBQYOSKDIMZ-UHFFFAOYSA-N 1 0 392.551 3.847 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC001171814816 905072906 /nfs/dbraw/zinc/07/29/06/905072906.db2.gz NQEJXPRGTZMRBV-TZIWHRDSSA-N 1 0 375.472 3.825 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173964819 905173065 /nfs/dbraw/zinc/17/30/65/905173065.db2.gz UOHFZHZWCBYVEQ-HZPDHXFCSA-N 1 0 396.447 3.589 20 30 GHEDRO C=CCn1cnc2nc(N[C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)[nH]c(=O)c21 ZINC001171977715 905226690 /nfs/dbraw/zinc/22/66/90/905226690.db2.gz UDANRTAMJUXKQQ-KRWDZBQOSA-N 1 0 392.507 3.573 20 30 GHEDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1)c1ccccc1 ZINC000174326610 905254842 /nfs/dbraw/zinc/25/48/42/905254842.db2.gz VUKUPNDRHWCOCC-QFIPXVFZSA-N 1 0 391.515 3.841 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172099005 905319528 /nfs/dbraw/zinc/31/95/28/905319528.db2.gz TZMUWXZJAUUUEZ-YYIAUSFCSA-N 1 0 378.538 3.581 20 30 GHEDRO COc1cc(NC(=O)CC[N@H+](C)Cc2ccc(C#N)cc2)c(OC)cc1Cl ZINC000174724719 905332479 /nfs/dbraw/zinc/33/24/79/905332479.db2.gz HXGNWXCTGIUTDU-UHFFFAOYSA-N 1 0 387.867 3.689 20 30 GHEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)C2 ZINC000174808561 905355595 /nfs/dbraw/zinc/35/55/95/905355595.db2.gz CXKUZNOHSMNJFU-LSDHHAIUSA-N 1 0 378.423 3.639 20 30 GHEDRO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]Cc2cncc(C#N)c2)CC1 ZINC001172210088 905410401 /nfs/dbraw/zinc/41/04/01/905410401.db2.gz BDCYRGKZOWDOJE-UHFFFAOYSA-N 1 0 383.879 3.750 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001172303830 905456924 /nfs/dbraw/zinc/45/69/24/905456924.db2.gz IBQKDRSNBCBRCW-LJQANCHMSA-N 1 0 388.515 3.513 20 30 GHEDRO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)Cc2cnn(CC3CC3)c21 ZINC001172308447 905465141 /nfs/dbraw/zinc/46/51/41/905465141.db2.gz NDJPLGMBNQJYME-HTAPYJJXSA-N 1 0 378.520 3.732 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001172290605 905480323 /nfs/dbraw/zinc/48/03/23/905480323.db2.gz QWHDPJDIULKVQD-FXAWDEMLSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(I)c1 ZINC001172295908 905482838 /nfs/dbraw/zinc/48/28/38/905482838.db2.gz VSKBPDFOCTVTKO-CYBMUJFWSA-N 1 0 376.241 3.884 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)CCO[C@@H](C)CC)CC2 ZINC001172331769 905497257 /nfs/dbraw/zinc/49/72/57/905497257.db2.gz RLJDXLZWLOFSJT-ROUUACIJSA-N 1 0 375.557 3.948 20 30 GHEDRO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+]3CCC4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521833 905581399 /nfs/dbraw/zinc/58/13/99/905581399.db2.gz GVMKVKFAQDCGHO-QIJZPMMNSA-N 1 0 396.556 3.592 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c(Br)c1 ZINC000801582539 921160740 /nfs/dbraw/zinc/16/07/40/921160740.db2.gz UMIUMNWOTWQUNZ-FQEVSTJZSA-N 1 0 385.305 3.847 20 30 GHEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001172511261 905605916 /nfs/dbraw/zinc/60/59/16/905605916.db2.gz PJEBBVUYBDSKRJ-UGKGYDQZSA-N 1 0 379.589 3.719 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCOCC1 ZINC000175660741 905623093 /nfs/dbraw/zinc/62/30/93/905623093.db2.gz ZYMXFENTAIBTSF-UHFFFAOYSA-N 1 0 395.528 3.550 20 30 GHEDRO C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000627687067 905702471 /nfs/dbraw/zinc/70/24/71/905702471.db2.gz RBZFJEAGTLDVOX-UHFFFAOYSA-N 1 0 385.552 3.618 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000627830628 905784907 /nfs/dbraw/zinc/78/49/07/905784907.db2.gz DUZQBFIZLLACSL-BQJUDKOJSA-N 1 0 396.556 3.671 20 30 GHEDRO COC(=O)[C@H]1CCC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)CC1 ZINC001172800636 905873748 /nfs/dbraw/zinc/87/37/48/905873748.db2.gz ZGVVDFISGFQUJA-ROUUACIJSA-N 1 0 386.492 3.532 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CCO2 ZINC001172962255 906023255 /nfs/dbraw/zinc/02/32/55/906023255.db2.gz LORQWSDSPZIUNW-CNNODRBYSA-N 1 0 396.572 3.706 20 30 GHEDRO COc1ccc(Cl)cc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972183 906034425 /nfs/dbraw/zinc/03/44/25/906034425.db2.gz XBIXWJIKHIBUSK-HOTGVXAUSA-N 1 0 379.888 3.730 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1OC ZINC001172971625 906035436 /nfs/dbraw/zinc/03/54/36/906035436.db2.gz RWWCSNAGJOIBIQ-PVAVHDDUSA-N 1 0 389.496 3.646 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(Cc3ccccc3)CCOCC2)C[C@H]1C#N ZINC001172975243 906040585 /nfs/dbraw/zinc/04/05/85/906040585.db2.gz BOGLTKYCEPINRW-PMACEKPBSA-N 1 0 399.535 3.660 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177286378 906089628 /nfs/dbraw/zinc/08/96/28/906089628.db2.gz LUAKHJNHDIZBGQ-UHFFFAOYSA-N 1 0 390.487 3.673 20 30 GHEDRO C[N@H+](CCC(=O)c1cccs1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991559 906101137 /nfs/dbraw/zinc/10/11/37/906101137.db2.gz ZKKAWZDPFXXMHA-GJZGRUSLSA-N 1 0 377.510 3.544 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H](OCc3ccccc3)C2)C[C@H]1C#N ZINC001172991920 906102022 /nfs/dbraw/zinc/10/20/22/906102022.db2.gz NUPKJMMBWDGAJZ-ACRUOGEOSA-N 1 0 399.535 3.959 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)C2 ZINC001173070136 906162027 /nfs/dbraw/zinc/16/20/27/906162027.db2.gz LOLGBJQFKWRLGP-LMVRJCEZSA-N 1 0 394.556 3.601 20 30 GHEDRO Cc1cc(NC(=O)c2ccccc2OCC#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190792352 906316982 /nfs/dbraw/zinc/31/69/82/906316982.db2.gz FHQNWEGBBABPBT-UHFFFAOYSA-N 1 0 392.503 3.680 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CC1 ZINC001173311241 906364039 /nfs/dbraw/zinc/36/40/39/906364039.db2.gz IURZIQBRLKSKEP-CTWPCTMYSA-N 1 0 394.556 3.648 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CC1 ZINC001173311239 906364276 /nfs/dbraw/zinc/36/42/76/906364276.db2.gz IURZIQBRLKSKEP-ACBHZAAOSA-N 1 0 394.556 3.648 20 30 GHEDRO CCCCCCCCC[C@@H](CCC)[NH2+]CCOCCOCCOCCO ZINC001173284170 906367439 /nfs/dbraw/zinc/36/74/39/906367439.db2.gz DDVFPKGQFYJJFT-OAQYLSRUSA-N 1 0 375.594 3.928 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC1 ZINC001173320636 906368551 /nfs/dbraw/zinc/36/85/51/906368551.db2.gz QDLFWWWPOSBQRE-QRFVXNFXSA-N 1 0 390.474 3.907 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001173323980 906371874 /nfs/dbraw/zinc/37/18/74/906371874.db2.gz KKHFKRXIPZAYDM-OXYJHPMESA-N 1 0 386.536 3.845 20 30 GHEDRO C=CCOC1CCC([NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)CC1 ZINC001173322333 906372296 /nfs/dbraw/zinc/37/22/96/906372296.db2.gz BVRKIDCBVWQZFT-UHFFFAOYSA-N 1 0 380.536 3.817 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC(Oc3ncc(Br)cn3)CC2)CC1 ZINC001173323528 906372807 /nfs/dbraw/zinc/37/28/07/906372807.db2.gz AMIUBSCKGFPJOV-UHFFFAOYSA-N 1 0 396.329 3.596 20 30 GHEDRO C[N@@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C2(CCCCC2)C1 ZINC000178724526 906375645 /nfs/dbraw/zinc/37/56/45/906375645.db2.gz RFLZXXLDZWHQKX-UHFFFAOYSA-N 1 0 378.520 3.688 20 30 GHEDRO C[C@H]1C[N@@H+](C2CCC(CC#N)CC2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001173334981 906377952 /nfs/dbraw/zinc/37/79/52/906377952.db2.gz BOJXXCYNYPGQDJ-ALHCCWHNSA-N 1 0 396.535 3.752 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001173375969 906405428 /nfs/dbraw/zinc/40/54/28/906405428.db2.gz BAIYWWIPGNWGMA-MKXGPGLRSA-N 1 0 391.552 3.800 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000777339638 906424118 /nfs/dbraw/zinc/42/41/18/906424118.db2.gz ZUVBQUQGFHHAGG-JOCHJYFZSA-N 1 0 393.487 3.575 20 30 GHEDRO COc1cccc(C(C)(C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173427717 906463431 /nfs/dbraw/zinc/46/34/31/906463431.db2.gz HDHGSFOIQJYNHI-UHFFFAOYSA-N 1 0 377.488 3.696 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(n3c4ccccc4c4c3CC[NH2+]C4)CC2)cc1 ZINC001173431086 906468519 /nfs/dbraw/zinc/46/85/19/906468519.db2.gz BWGJMWHOOBJDON-UHFFFAOYSA-N 1 0 384.483 3.636 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179471526 906508881 /nfs/dbraw/zinc/50/88/81/906508881.db2.gz YUBXDBBLFUJTHP-PXNSSMCTSA-N 1 0 385.870 3.968 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC001173584638 906543934 /nfs/dbraw/zinc/54/39/34/906543934.db2.gz FBLJMVLFCHFODI-GNHJJJEISA-N 1 0 397.338 3.730 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000179628064 906545672 /nfs/dbraw/zinc/54/56/72/906545672.db2.gz ZKJOPTMMINWQSN-QGZVFWFLSA-N 1 0 381.476 3.610 20 30 GHEDRO Cc1nc(CN2CCC3(CC[NH+](C4CCC(C)(C#N)CC4)CC3)C2=O)cs1 ZINC001173594768 906549088 /nfs/dbraw/zinc/54/90/88/906549088.db2.gz FJYGVDXNESIDSW-UHFFFAOYSA-N 1 0 386.565 3.739 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179657441 906552776 /nfs/dbraw/zinc/55/27/76/906552776.db2.gz LYWKNSVMCOPIKZ-QGZVFWFLSA-N 1 0 391.515 3.996 20 30 GHEDRO C[C@@H]1CC([NH+]2CCN(c3ccccc3C#N)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173677472 906615872 /nfs/dbraw/zinc/61/58/72/906615872.db2.gz ACCHKZAAESYDIF-QZTJIDSGSA-N 1 0 398.551 3.857 20 30 GHEDRO CC(C)C[C@H]([NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1)C(=O)NO ZINC001173705695 906655233 /nfs/dbraw/zinc/65/52/33/906655233.db2.gz VLXKKONORUHGTO-IRLDBZIGSA-N 1 0 382.504 3.633 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000180261047 906730643 /nfs/dbraw/zinc/73/06/43/906730643.db2.gz OKPMFOMFLYEDGU-UHFFFAOYSA-N 1 0 377.488 3.502 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2)cc(OC)c1 ZINC000181880361 907095123 /nfs/dbraw/zinc/09/51/23/907095123.db2.gz ILWRVLXXOLFAMH-XLIONFOSSA-N 1 0 395.503 3.531 20 30 GHEDRO COc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1NC(C)=O ZINC000182119841 907139877 /nfs/dbraw/zinc/13/98/77/907139877.db2.gz PJCOYQMJSRIDQU-UHFFFAOYSA-N 1 0 378.476 3.602 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191839954 907273210 /nfs/dbraw/zinc/27/32/10/907273210.db2.gz MGQBUKLBWWKNJP-BEFAXECRSA-N 1 0 394.357 3.547 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001175062409 907338915 /nfs/dbraw/zinc/33/89/15/907338915.db2.gz PDVDNMFEMVOBPE-JWQCQUIFSA-N 1 0 398.506 3.992 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000192087945 907401717 /nfs/dbraw/zinc/40/17/17/907401717.db2.gz DDVDNLBBTNBWDX-GESALYCCSA-N 1 0 387.842 3.798 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCc3ccc4c(c3)OC(F)(F)O4)CCOCC2)cc1 ZINC001175276795 907456163 /nfs/dbraw/zinc/45/61/63/907456163.db2.gz KXICFYRZYMXHIQ-UHFFFAOYSA-N 1 0 386.398 3.718 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccccc3CC#N)cc2)C1 ZINC000777404868 907573416 /nfs/dbraw/zinc/57/34/16/907573416.db2.gz GTGFYGBWTGXETI-GOSISDBHSA-N 1 0 377.488 3.654 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cccc(C#N)c3F)C2)O1 ZINC001175686501 907693762 /nfs/dbraw/zinc/69/37/62/907693762.db2.gz FSDSQVNNNZJILZ-WZONZLPQSA-N 1 0 379.479 3.563 20 30 GHEDRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1OCCCC#N ZINC000185641382 907805630 /nfs/dbraw/zinc/80/56/30/907805630.db2.gz OLDDAZMVJDPTOO-UHFFFAOYSA-N 1 0 380.488 3.861 20 30 GHEDRO CCN(CC)C(=O)c1ccc(F)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001176070356 907901018 /nfs/dbraw/zinc/90/10/18/907901018.db2.gz JWNOQZOCNDIENH-UHFFFAOYSA-N 1 0 386.496 3.972 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC001176274508 908008325 /nfs/dbraw/zinc/00/83/25/908008325.db2.gz YCPASPFWFUBXDV-MSOLQXFVSA-N 1 0 382.533 3.733 20 30 GHEDRO C#CCC1([NH2+][C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCC1 ZINC001176380203 908057766 /nfs/dbraw/zinc/05/77/66/908057766.db2.gz CCQODUMNEQCIBJ-CYBMUJFWSA-N 1 0 384.461 3.581 20 30 GHEDRO C[C@H]([NH2+][C@H](CCO)C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001176505967 908145992 /nfs/dbraw/zinc/14/59/92/908145992.db2.gz YAMRQZZKQGDMCO-KBXCAEBGSA-N 1 0 389.565 3.746 20 30 GHEDRO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001176505969 908146111 /nfs/dbraw/zinc/14/61/11/908146111.db2.gz YAMRQZZKQGDMCO-KSSFIOAISA-N 1 0 389.565 3.746 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@]3(C)C3CC3)sc2C1 ZINC001176820285 908266993 /nfs/dbraw/zinc/26/69/93/908266993.db2.gz WZPDYZXUVMFECB-LHSJRXKWSA-N 1 0 387.549 3.574 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCNC(=O)c2ccc(C)cc2)cc1OC ZINC001177679575 908693672 /nfs/dbraw/zinc/69/36/72/908693672.db2.gz UATISXNHCYCSGT-UHFFFAOYSA-N 1 0 388.895 3.741 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000192083004 908718190 /nfs/dbraw/zinc/71/81/90/908718190.db2.gz RUSUEBGXTOHHSR-SJLPKXTDSA-N 1 0 391.830 3.619 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192139880 908728477 /nfs/dbraw/zinc/72/84/77/908728477.db2.gz DDUCHEQIJRQCKK-FUHWJXTLSA-N 1 0 391.443 3.573 20 30 GHEDRO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC001178337997 909005278 /nfs/dbraw/zinc/00/52/78/909005278.db2.gz QTUUDLJIQPWRQB-ZDXQCDESSA-N 1 0 390.531 3.742 20 30 GHEDRO Cc1ncc(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC001178328989 909020579 /nfs/dbraw/zinc/02/05/79/909020579.db2.gz OSUBZZTZSXXCOX-FCHUYYIVSA-N 1 0 397.482 3.511 20 30 GHEDRO C#CCCCCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000779935907 909097907 /nfs/dbraw/zinc/09/79/07/909097907.db2.gz KBRQFRJOLRXHQZ-UHFFFAOYSA-N 1 0 379.342 3.923 20 30 GHEDRO [NH3+]C1(Cc2cccc(Cl)c2)CCN(C(=O)C#Cc2ccc(F)cc2F)CC1 ZINC001178574351 909129194 /nfs/dbraw/zinc/12/91/94/909129194.db2.gz LRWWRPHAEMZUJV-UHFFFAOYSA-N 1 0 388.845 3.532 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(C)cc2Br)C1=O ZINC001276025344 921473179 /nfs/dbraw/zinc/47/31/79/921473179.db2.gz MQXSMQQDFNVTEJ-IBGZPJMESA-N 1 0 377.326 3.901 20 30 GHEDRO CCOc1ccc(-c2nc(C(=O)N(CCC#N)CCC[NH+](C)C)cs2)cc1 ZINC000299582852 921476674 /nfs/dbraw/zinc/47/66/74/921476674.db2.gz CXWLEVJCYMEWPM-UHFFFAOYSA-N 1 0 386.521 3.516 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc2nc(C#N)sc2c1 ZINC001178730203 909225220 /nfs/dbraw/zinc/22/52/20/909225220.db2.gz RFWVWSUDECSURM-RHSMWYFYSA-N 1 0 376.485 3.875 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000267307359 909445610 /nfs/dbraw/zinc/44/56/10/909445610.db2.gz BNLOVGMOUDXPGU-GCJKJVERSA-N 1 0 376.504 3.610 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000268289791 909822733 /nfs/dbraw/zinc/82/27/33/909822733.db2.gz BBSFJQCFFFMUSJ-UHFFFAOYSA-N 1 0 384.480 3.948 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000268571780 909933186 /nfs/dbraw/zinc/93/31/86/909933186.db2.gz XXIPVYZORQHZSV-UHFFFAOYSA-N 1 0 385.533 3.564 20 30 GHEDRO CCc1cc(Br)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000268738822 909991946 /nfs/dbraw/zinc/99/19/46/909991946.db2.gz SRMFWIPZPFIQBW-UHFFFAOYSA-N 1 0 381.318 3.711 20 30 GHEDRO CC(C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2C#C[Si](C)(C)C)CC1 ZINC001180349415 910090151 /nfs/dbraw/zinc/09/01/51/910090151.db2.gz MVOKOLDXXBBQNZ-UHFFFAOYSA-N 1 0 392.019 3.533 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1OCCCC#N ZINC000269311235 910211378 /nfs/dbraw/zinc/21/13/78/910211378.db2.gz FXMQJEKVYSMIKG-GOSISDBHSA-N 1 0 390.549 3.912 20 30 GHEDRO COc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(OC)c1OC ZINC000269631508 910323419 /nfs/dbraw/zinc/32/34/19/910323419.db2.gz PHFJURMDZGTZOV-UHFFFAOYSA-N 1 0 399.369 3.538 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cc(C)c(F)cc1F)[n+]1ccc(C)cc1 ZINC000269668329 910330651 /nfs/dbraw/zinc/33/06/51/910330651.db2.gz AFTZFXOHADRLAV-UHFFFAOYSA-O 1 0 395.520 3.761 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 ZINC000270352944 910531297 /nfs/dbraw/zinc/53/12/97/910531297.db2.gz CTHWOASAVSHPCT-UHFFFAOYSA-N 1 0 392.503 3.722 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001181121217 910556279 /nfs/dbraw/zinc/55/62/79/910556279.db2.gz OASVPUMEKREOHO-IBGZPJMESA-N 1 0 375.557 3.736 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)c(O)c1 ZINC000773906566 910597294 /nfs/dbraw/zinc/59/72/94/910597294.db2.gz QKCLGDDRYFAGPS-NFCNUSAFSA-N 1 0 393.487 3.923 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000639670223 910602469 /nfs/dbraw/zinc/60/24/69/910602469.db2.gz IVOOGCRAJSLUJH-UHFFFAOYSA-N 1 0 388.515 3.964 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c3ccncc23)cc1 ZINC001181192831 910602747 /nfs/dbraw/zinc/60/27/47/910602747.db2.gz NAXFRJHZTYBOII-UHFFFAOYSA-N 1 0 398.510 3.539 20 30 GHEDRO N#CC1(CC(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CCCCC1 ZINC001181346577 910739717 /nfs/dbraw/zinc/73/97/17/910739717.db2.gz VPVZDZWCHZZGAK-UHFFFAOYSA-N 1 0 380.536 3.760 20 30 GHEDRO N#Cc1ccccc1CC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001181797331 910991293 /nfs/dbraw/zinc/99/12/93/910991293.db2.gz ATFPJVZZNSLGDC-JVNMPXIPSA-N 1 0 375.516 3.522 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247590310 911364219 /nfs/dbraw/zinc/36/42/19/911364219.db2.gz MLPCUEJIIYGSLJ-RTBURBONSA-N 1 0 384.476 3.907 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000283439761 911508865 /nfs/dbraw/zinc/50/88/65/911508865.db2.gz GWJKGZAUGJCFNK-FQEVSTJZSA-N 1 0 389.499 3.564 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000092480407 911564240 /nfs/dbraw/zinc/56/42/40/911564240.db2.gz RMKJIYHVMUGHSJ-QGZVFWFLSA-N 1 0 378.476 3.764 20 30 GHEDRO CC1(NC(=S)C(C(=O)c2ccc(OC(F)F)cc2)[n+]2ccccc2)CC1 ZINC000283755364 911636201 /nfs/dbraw/zinc/63/62/01/911636201.db2.gz AIJBPPWHVDDQDR-UHFFFAOYSA-O 1 0 377.436 3.656 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(OC)cc1OC)C(=S)NC1(C)CC1 ZINC000283763001 911639399 /nfs/dbraw/zinc/63/93/99/911639399.db2.gz BECNNXAAAAOQKF-UHFFFAOYSA-O 1 0 399.536 3.635 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC2(C)CC2)cc1 ZINC000283854930 911671435 /nfs/dbraw/zinc/67/14/35/911671435.db2.gz CASVDLBARSTWAV-UHFFFAOYSA-O 1 0 388.944 3.774 20 30 GHEDRO C[C@@]12CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C[C@@H]1C2(Cl)Cl ZINC000284303168 911819282 /nfs/dbraw/zinc/81/92/82/911819282.db2.gz IZJHYYZTXRIFNM-FUHWJXTLSA-N 1 0 390.318 3.874 20 30 GHEDRO C[C@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(C#N)cc1 ZINC001182800628 912030593 /nfs/dbraw/zinc/03/05/93/912030593.db2.gz UBTLPSQASJYOBI-RTFZILSDSA-N 1 0 386.499 3.832 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000248399229 912054050 /nfs/dbraw/zinc/05/40/50/912054050.db2.gz OOLLUJBEJQLMSV-AQNXPRMDSA-N 1 0 377.573 3.795 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc(C)c1Br ZINC001275006274 912108328 /nfs/dbraw/zinc/10/83/28/912108328.db2.gz NYEAYTDOHKXICF-LJQANCHMSA-N 1 0 377.326 3.901 20 30 GHEDRO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000285003143 912113946 /nfs/dbraw/zinc/11/39/46/912113946.db2.gz IFOGDXRRXVNXLU-HRAATJIYSA-N 1 0 391.475 3.717 20 30 GHEDRO Cc1cccc(CN2CCC[C@@]23CCN(CCCC#N)C3=O)c1Br ZINC001275002468 912115752 /nfs/dbraw/zinc/11/57/52/912115752.db2.gz BXBBAJRZBMIMRF-IBGZPJMESA-N 1 0 390.325 3.628 20 30 GHEDRO C[C@@H]1[C@@H](CC(=O)Nc2nnccc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186934722 914883570 /nfs/dbraw/zinc/88/35/70/914883570.db2.gz JOXQSJAFGOIHSN-UTKZUKDTSA-N 1 0 397.482 3.787 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)c(O)c1 ZINC000005327265 914976450 /nfs/dbraw/zinc/97/64/50/914976450.db2.gz QKCLGDDRYFAGPS-PFRKPPGBSA-N 1 0 393.487 3.923 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)cc1 ZINC000303670802 915031339 /nfs/dbraw/zinc/03/13/39/915031339.db2.gz PBLWSGMEADSFRV-OAQYLSRUSA-N 1 0 384.907 3.906 20 30 GHEDRO C=CC[NH+]1CCC(NCc2cc(OC(F)F)ccc2Br)CC1 ZINC000647180987 915074665 /nfs/dbraw/zinc/07/46/65/915074665.db2.gz CLQSEVGSWNSHSC-UHFFFAOYSA-N 1 0 375.257 3.791 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000303772913 915121020 /nfs/dbraw/zinc/12/10/20/915121020.db2.gz DVYKHCJAFACSEZ-LJQANCHMSA-N 1 0 384.524 3.513 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000303776721 915122315 /nfs/dbraw/zinc/12/23/15/915122315.db2.gz IAUAYVXIWREVQY-NSHDSACASA-N 1 0 378.398 3.983 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303779642 915124147 /nfs/dbraw/zinc/12/41/47/915124147.db2.gz KTBSNELZFBDPGK-UHFFFAOYSA-N 1 0 392.381 3.639 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000802009803 921747195 /nfs/dbraw/zinc/74/71/95/921747195.db2.gz UHOBOWYNRBKADY-QFIPXVFZSA-N 1 0 385.508 3.812 20 30 GHEDRO [NH2+]=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000303879912 915237756 /nfs/dbraw/zinc/23/77/56/915237756.db2.gz GUPAYGGZRRWNNJ-NRFANRHFSA-N 1 0 398.938 3.629 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccnc(-n2cccn2)c1 ZINC000303878959 915238117 /nfs/dbraw/zinc/23/81/17/915238117.db2.gz GGRJKWLOTGNDQL-UHFFFAOYSA-N 1 0 376.508 3.611 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000303882701 915294940 /nfs/dbraw/zinc/29/49/40/915294940.db2.gz IHWLAKVGUKEOTB-SFHVURJKSA-N 1 0 384.490 3.715 20 30 GHEDRO C[C@@H](NC(=[NH2+])N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000303900244 915303486 /nfs/dbraw/zinc/30/34/86/915303486.db2.gz WRFGJFNNMGPEEY-MWLCHTKSSA-N 1 0 383.245 3.595 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH+]=C(Nc3ccccc3)N3CCCCC3)cn2)CCO1 ZINC000303900158 915304207 /nfs/dbraw/zinc/30/42/07/915304207.db2.gz SCBCSTCMWNQQGK-IBGZPJMESA-N 1 0 393.535 3.761 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000303970276 915342794 /nfs/dbraw/zinc/34/27/94/915342794.db2.gz CMGBSJMQKZXQCN-CYBMUJFWSA-N 1 0 393.318 3.665 20 30 GHEDRO CCCC[NH+]=C(NCCCc1nnc2n1CCCCC2)NCc1ccc(C)cc1 ZINC000303972686 915343235 /nfs/dbraw/zinc/34/32/35/915343235.db2.gz GBLOIQOPDONIGB-UHFFFAOYSA-N 1 0 396.583 3.781 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)c1ccccc1Br ZINC000796383265 915356561 /nfs/dbraw/zinc/35/65/61/915356561.db2.gz GXPIESAGFTWQKM-GOSISDBHSA-N 1 0 380.282 3.646 20 30 GHEDRO Cc1[nH]c(C2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)[nH+]c1C ZINC001187639567 915406426 /nfs/dbraw/zinc/40/64/26/915406426.db2.gz FOANJNCFBQQBTN-UHFFFAOYSA-N 1 0 376.420 3.739 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC2CCC2)c1 ZINC000292286141 915600434 /nfs/dbraw/zinc/60/04/34/915600434.db2.gz ITTYHAPOUHCQGG-UHFFFAOYSA-O 1 0 384.481 3.580 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC2CCC2)cc1 ZINC000292414564 915665020 /nfs/dbraw/zinc/66/50/20/915665020.db2.gz ZBWKYQPYUIWZPF-UHFFFAOYSA-O 1 0 375.464 3.896 20 30 GHEDRO [NH2+]=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304754170 915670918 /nfs/dbraw/zinc/67/09/18/915670918.db2.gz LRAURGJRUDWDDD-UHFFFAOYSA-N 1 0 384.305 3.987 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(OCC)c(F)c2)c1 ZINC000304764145 915700780 /nfs/dbraw/zinc/70/07/80/915700780.db2.gz XRVWFSWLZNYJKA-UHFFFAOYSA-N 1 0 375.444 3.949 20 30 GHEDRO CN(Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NCCc1cccs1 ZINC000304785226 915700797 /nfs/dbraw/zinc/70/07/97/915700797.db2.gz HVPJKJQHVXDZCJ-UHFFFAOYSA-N 1 0 382.533 3.620 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)C1 ZINC000292481745 915703507 /nfs/dbraw/zinc/70/35/07/915703507.db2.gz ANGBDLUEEVJTFE-QFIPXVFZSA-N 1 0 376.460 3.910 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)C1 ZINC000292614095 915766416 /nfs/dbraw/zinc/76/64/16/915766416.db2.gz MHFSVRKJOIXEDA-JOCHJYFZSA-N 1 0 376.460 3.910 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c(OC[C@H]2CCCO2)c1 ZINC000305025184 915839224 /nfs/dbraw/zinc/83/92/24/915839224.db2.gz WVMKCOLWPHVQFA-OAQYLSRUSA-N 1 0 379.504 3.968 20 30 GHEDRO C[C@H](O)C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000305078221 915885388 /nfs/dbraw/zinc/88/53/88/915885388.db2.gz WFNAKPYPLJVUMC-DZGCQCFKSA-N 1 0 381.398 3.867 20 30 GHEDRO N#Cc1ccc(-c2ccc(C(=O)N3CC4(C3)CC[N@H+](CC3CC3)C4)cc2)cc1F ZINC001188702131 916122660 /nfs/dbraw/zinc/12/26/60/916122660.db2.gz PUCPWVYPCMNUFA-UHFFFAOYSA-N 1 0 389.474 3.922 20 30 GHEDRO O[C@@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649710182 916350320 /nfs/dbraw/zinc/35/03/20/916350320.db2.gz PVHWJDIDJLGLAJ-LBPRGKRZSA-N 1 0 385.323 3.975 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cccc(-c3cn[nH]c3)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001189265413 916525762 /nfs/dbraw/zinc/52/57/62/916525762.db2.gz HEUWGYRYMBURHC-YHBQERECSA-N 1 0 399.498 3.861 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccc(N2CCOC2=O)c1 ZINC000775259593 916697821 /nfs/dbraw/zinc/69/78/21/916697821.db2.gz CEQFSQIVNDUDDK-ZDUSSCGKSA-N 1 0 387.386 3.967 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC([C@H](O)c2ccccc2C)CC1 ZINC000796418866 916819911 /nfs/dbraw/zinc/81/99/11/916819911.db2.gz PRTTZJCWATVHEH-QHCPKHFHSA-N 1 0 380.488 3.700 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3C)c2C(F)F)CC1 ZINC000650503054 917037342 /nfs/dbraw/zinc/03/73/42/917037342.db2.gz IWJUIXHNOXVRDV-UHFFFAOYSA-N 1 0 389.450 3.890 20 30 GHEDRO N#Cc1cccc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1F ZINC001190538101 917396106 /nfs/dbraw/zinc/39/61/06/917396106.db2.gz UMXFRRPLKCXLGO-XHYAQGIWSA-N 1 0 379.479 3.733 20 30 GHEDRO N#Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC001190589578 917433268 /nfs/dbraw/zinc/43/32/68/917433268.db2.gz DJUHZTHXDPRGLR-HSZRJFAPSA-N 1 0 396.494 3.870 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N(CCC)CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000775398697 917439182 /nfs/dbraw/zinc/43/91/82/917439182.db2.gz KVASHKAGPLYORP-JOCHJYFZSA-N 1 0 391.515 3.526 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000775401700 917460949 /nfs/dbraw/zinc/46/09/49/917460949.db2.gz YLWZNDQNDAGKGW-FGZHOGPDSA-N 1 0 392.499 3.722 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001190708458 917497647 /nfs/dbraw/zinc/49/76/47/917497647.db2.gz SLOAQULUCNSBFT-HXUWFJFHSA-N 1 0 395.522 3.594 20 30 GHEDRO CCc1ccc([C@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[NH+](CC)CC)cc1 ZINC001190838084 917592079 /nfs/dbraw/zinc/59/20/79/917592079.db2.gz DUTFJALSYXMPMP-QFIPXVFZSA-N 1 0 399.560 3.623 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)c1 ZINC001190928144 917643469 /nfs/dbraw/zinc/64/34/69/917643469.db2.gz IZZMTXNOLKCJPE-MJGOQNOKSA-N 1 0 394.544 3.681 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000295957948 917661487 /nfs/dbraw/zinc/66/14/87/917661487.db2.gz MTLKYEGBORTFBW-RXVVDRJESA-N 1 0 395.551 3.805 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)C1 ZINC000651692200 917695199 /nfs/dbraw/zinc/69/51/99/917695199.db2.gz XWLIDNOMSYVTLN-MJGOQNOKSA-N 1 0 376.566 3.783 20 30 GHEDRO C#CC[N@H+](C[C@@H]1C[C@]12CCOC2)[C@H]1CCOc2ccc(Br)cc21 ZINC001191038818 917721399 /nfs/dbraw/zinc/72/13/99/917721399.db2.gz NACJJFNCKMFHCI-FNHZYXHNSA-N 1 0 376.294 3.635 20 30 GHEDRO CCCCCCCNC(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC001191104864 917758590 /nfs/dbraw/zinc/75/85/90/917758590.db2.gz VOTHHBBKHOJCNN-UHFFFAOYSA-N 1 0 376.545 3.850 20 30 GHEDRO CCCCCCCNC(=O)N1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001191093923 917780343 /nfs/dbraw/zinc/78/03/43/917780343.db2.gz PZVPDTFLDVHFCN-UHFFFAOYSA-N 1 0 375.561 3.531 20 30 GHEDRO N#Cc1ccc(OC2CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000796514058 917944237 /nfs/dbraw/zinc/94/42/37/917944237.db2.gz FKZZUDZHRPYXGI-LJQANCHMSA-N 1 0 376.378 3.552 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC001191936980 918308293 /nfs/dbraw/zinc/30/82/93/918308293.db2.gz OQNRZZMLNNQDCN-RTBURBONSA-N 1 0 395.453 3.821 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494268 919395036 /nfs/dbraw/zinc/39/50/36/919395036.db2.gz DBYIWRBYECVIQS-QHCPKHFHSA-N 1 0 398.551 3.774 20 30 GHEDRO N#CCCN(C(=O)c1cnn(-c2ccncc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000298050490 920139841 /nfs/dbraw/zinc/13/98/41/920139841.db2.gz WZBBRKGOCUFCGT-UHFFFAOYSA-N 1 0 375.476 3.592 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(F)cc3Br)CC2)C1=O ZINC001275958719 920236314 /nfs/dbraw/zinc/23/63/14/920236314.db2.gz FEUURYJONJJANT-UHFFFAOYSA-N 1 0 381.289 3.589 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(Br)c(C)c1 ZINC001275978777 920662487 /nfs/dbraw/zinc/66/24/87/920662487.db2.gz XJXSLQKCWRYLFU-LJQANCHMSA-N 1 0 377.326 3.901 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC2CC2)cc1 ZINC000298734814 920865743 /nfs/dbraw/zinc/86/57/43/920865743.db2.gz IRYFQDKOIQZFRJ-UHFFFAOYSA-O 1 0 384.481 3.526 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367462472 922119064 /nfs/dbraw/zinc/11/90/64/922119064.db2.gz FWMIADIEUQTDMD-LJQANCHMSA-N 1 0 397.441 3.525 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3nc(-c4ccccn4)cs3)CC2)cc1 ZINC000367618229 922233027 /nfs/dbraw/zinc/23/30/27/922233027.db2.gz AANZLMAUUNKTRQ-UHFFFAOYSA-N 1 0 389.528 3.878 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1cc(C#N)ccn1 ZINC000902786558 922496590 /nfs/dbraw/zinc/49/65/90/922496590.db2.gz PLJHQEJNDPVYPD-MRXNPFEDSA-N 1 0 380.492 3.871 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902794083 922502541 /nfs/dbraw/zinc/50/25/41/922502541.db2.gz SLHUQDSKMLDRCE-SJORKVTESA-N 1 0 381.499 3.646 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000902854064 922558053 /nfs/dbraw/zinc/55/80/53/922558053.db2.gz RJLJADANXVFYSV-UHFFFAOYSA-N 1 0 397.775 3.612 20 30 GHEDRO CC(=O)OCc1cccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000903196181 922845105 /nfs/dbraw/zinc/84/51/05/922845105.db2.gz JFDMKXMGBZGGFV-GOSISDBHSA-N 1 0 391.515 3.937 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000803659011 923128430 /nfs/dbraw/zinc/12/84/30/923128430.db2.gz IMSGTHBGTGKSTA-UHFFFAOYSA-N 1 0 399.878 3.963 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000370014556 923804620 /nfs/dbraw/zinc/80/46/20/923804620.db2.gz ZIBIUYCYHVTHKE-SFHVURJKSA-N 1 0 387.487 3.705 20 30 GHEDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000748793027 923832265 /nfs/dbraw/zinc/83/22/65/923832265.db2.gz XQSJJERBCBIVRA-UHFFFAOYSA-N 1 0 395.507 3.616 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000748970381 923959128 /nfs/dbraw/zinc/95/91/28/923959128.db2.gz GAFKNONHOSAPHL-HXUWFJFHSA-N 1 0 384.524 3.574 20 30 GHEDRO Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1N1CCCCC1 ZINC000827310278 925237686 /nfs/dbraw/zinc/23/76/86/925237686.db2.gz MOXUKQHWJDHVSD-UHFFFAOYSA-N 1 0 375.520 3.574 20 30 GHEDRO CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410573328 925738946 /nfs/dbraw/zinc/73/89/46/925738946.db2.gz KJVUBQYNSZITCU-JOCHJYFZSA-N 1 0 375.516 3.860 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(N4CCOC4=O)CC3)c2)c1 ZINC000827745799 925944595 /nfs/dbraw/zinc/94/45/95/925944595.db2.gz JIXBMJLYQKVQBC-UHFFFAOYSA-N 1 0 391.471 3.554 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000133259177 926159655 /nfs/dbraw/zinc/15/96/55/926159655.db2.gz BNMVOFGLGGZOJP-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO C[C@@H](CCC#N)[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000411307703 926301436 /nfs/dbraw/zinc/30/14/36/926301436.db2.gz HRVABSLYQQIWCG-ZDUSSCGKSA-N 1 0 384.261 3.827 20 30 GHEDRO COc1ccccc1C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000411517676 926486221 /nfs/dbraw/zinc/48/62/21/926486221.db2.gz NGSHXRPIPGMTIN-ROUUACIJSA-N 1 0 383.517 3.591 20 30 GHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411552831 926508945 /nfs/dbraw/zinc/50/89/45/926508945.db2.gz BVZKAIHZIJBDOK-RRQGHBQHSA-N 1 0 375.538 3.620 20 30 GHEDRO C#Cc1cccc(NC(=S)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000726441114 926664372 /nfs/dbraw/zinc/66/43/72/926664372.db2.gz QSSGAFNBOJFSTI-HXUWFJFHSA-N 1 0 379.529 3.800 20 30 GHEDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)CC1 ZINC000374110758 926773011 /nfs/dbraw/zinc/77/30/11/926773011.db2.gz XWYZYIRFRZKPGQ-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000374196294 926888116 /nfs/dbraw/zinc/88/81/16/926888116.db2.gz YSETXWZZCNPWPW-UHFFFAOYSA-N 1 0 382.386 3.549 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C2CCN(C(=O)CC(F)(F)F)CC2)c(O)c1 ZINC000726891544 926909705 /nfs/dbraw/zinc/90/97/05/926909705.db2.gz OYMMPDOLSYKFGO-QRVIBDJDSA-N 1 0 385.430 3.601 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)c(C#N)c1C ZINC000412008030 927012176 /nfs/dbraw/zinc/01/21/76/927012176.db2.gz JZOSZNGVJPNTGF-NRFANRHFSA-N 1 0 395.503 3.980 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000749584265 927202852 /nfs/dbraw/zinc/20/28/52/927202852.db2.gz QMUWFMKOGVLKSP-AUSIDOKSSA-N 1 0 393.506 3.881 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)s1 ZINC000374819554 927560843 /nfs/dbraw/zinc/56/08/43/927560843.db2.gz NFGJBSQWMZLPCJ-MRXNPFEDSA-N 1 0 391.500 3.975 20 30 GHEDRO N#CC1(NC(=O)c2ccc(Cl)nc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000374890531 927657799 /nfs/dbraw/zinc/65/77/99/927657799.db2.gz DTVWTZMBVPQLJW-UHFFFAOYSA-N 1 0 389.286 3.677 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000750586836 927733437 /nfs/dbraw/zinc/73/34/37/927733437.db2.gz IEFPUPIJVBOYSU-UHFFFAOYSA-N 1 0 376.460 3.584 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000374989056 927781429 /nfs/dbraw/zinc/78/14/29/927781429.db2.gz PIPFFQJNOILJEF-XMSQKQJNSA-N 1 0 397.906 3.954 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000375226581 928062095 /nfs/dbraw/zinc/06/20/95/928062095.db2.gz BRRCKEXUWYKXRV-IBGZPJMESA-N 1 0 389.434 3.593 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000375226583 928062314 /nfs/dbraw/zinc/06/23/14/928062314.db2.gz BRRCKEXUWYKXRV-LJQANCHMSA-N 1 0 389.434 3.593 20 30 GHEDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000751504094 928225868 /nfs/dbraw/zinc/22/58/68/928225868.db2.gz YMUPODKJEWICGU-UHFFFAOYSA-N 1 0 381.476 3.752 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1OCCCC#N ZINC000375416682 928280442 /nfs/dbraw/zinc/28/04/42/928280442.db2.gz SDJSPTZOECDAJJ-QGZVFWFLSA-N 1 0 382.464 3.628 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3occc3Br)CC2)C1=O ZINC001276247262 928304293 /nfs/dbraw/zinc/30/42/93/928304293.db2.gz FMBAQTNAKQMKNS-GOSISDBHSA-N 1 0 394.313 3.550 20 30 GHEDRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000752084390 928602237 /nfs/dbraw/zinc/60/22/37/928602237.db2.gz VBPRYVKTRAQALO-HUUCEWRRSA-N 1 0 393.915 3.977 20 30 GHEDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000752084389 928602298 /nfs/dbraw/zinc/60/22/98/928602298.db2.gz VBPRYVKTRAQALO-GJZGRUSLSA-N 1 0 393.915 3.977 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000752281360 928727917 /nfs/dbraw/zinc/72/79/17/928727917.db2.gz MDNPESOLHZGFNF-UHFFFAOYSA-N 1 0 395.450 3.991 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000467295800 928930371 /nfs/dbraw/zinc/93/03/71/928930371.db2.gz UYKGKQBLHXNXAW-NRFANRHFSA-N 1 0 391.515 3.933 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000467534005 929172232 /nfs/dbraw/zinc/17/22/32/929172232.db2.gz ZCKOEMQUSFPZPK-UHFFFAOYSA-N 1 0 390.531 3.509 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000753679149 929478939 /nfs/dbraw/zinc/47/89/39/929478939.db2.gz ODLNDISHHAWZDP-ZJSXRUAMSA-N 1 0 393.531 3.839 20 30 GHEDRO COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)ccc1OCc1ccc(F)cc1 ZINC000753934837 929600624 /nfs/dbraw/zinc/60/06/24/929600624.db2.gz KMGKNARYDZBSCE-RTBURBONSA-N 1 0 396.466 3.607 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1 ZINC000469256505 929739389 /nfs/dbraw/zinc/73/93/89/929739389.db2.gz WVTLJZNCMFNTGM-NRFANRHFSA-N 1 0 386.442 3.810 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CCCC1 ZINC000546113450 929867209 /nfs/dbraw/zinc/86/72/09/929867209.db2.gz PUVHJKUAXBTTDY-UHFFFAOYSA-N 1 0 398.551 3.669 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000758189848 929966812 /nfs/dbraw/zinc/96/68/12/929966812.db2.gz IROZYZBUCAJYGB-LPHOPBHVSA-N 1 0 388.471 3.643 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000758209306 929974535 /nfs/dbraw/zinc/97/45/35/929974535.db2.gz JZRDMWRJPRKFDY-QHCPKHFHSA-N 1 0 376.504 3.559 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@H]2SCC)cc1 ZINC000469776010 930154981 /nfs/dbraw/zinc/15/49/81/930154981.db2.gz PFDHKXRGGAOVDN-VQTJNVASSA-N 1 0 389.565 3.986 20 30 GHEDRO C=C[C@@H](CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccccc1 ZINC000759015533 930245398 /nfs/dbraw/zinc/24/53/98/930245398.db2.gz XDUQAPZCTOQNRS-FQEVSTJZSA-N 1 0 395.522 3.944 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(CCC)cc1 ZINC000759063463 930261930 /nfs/dbraw/zinc/26/19/30/930261930.db2.gz PWABZUKZJIOXHT-UHFFFAOYSA-O 1 0 381.521 3.759 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000759441677 930369236 /nfs/dbraw/zinc/36/92/36/930369236.db2.gz GIAJGRNDMJBCIM-WOJBJXKFSA-N 1 0 381.476 3.848 20 30 GHEDRO C[C@H]1C[N@H+](CCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCCO1 ZINC000470109566 930381214 /nfs/dbraw/zinc/38/12/14/930381214.db2.gz BXRCEGSKGMEBAX-SFHVURJKSA-N 1 0 393.487 3.581 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000470202892 930449608 /nfs/dbraw/zinc/44/96/08/930449608.db2.gz MVYSUEUUWKXOAB-ZWKOTPCHSA-N 1 0 390.959 3.700 20 30 GHEDRO COc1cc(C#N)ccc1OCc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000546952204 930559033 /nfs/dbraw/zinc/55/90/33/930559033.db2.gz FTZZLIYXOGOIFJ-UHFFFAOYSA-N 1 0 390.443 3.792 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000780982569 930660989 /nfs/dbraw/zinc/66/09/89/930660989.db2.gz XOEIXTZNJGKKLJ-OAQYLSRUSA-N 1 0 388.556 3.734 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)[C@H](O)c3ccc(C#N)cc3)c2)CC1 ZINC000781012859 930672253 /nfs/dbraw/zinc/67/22/53/930672253.db2.gz AUXITQJSHFRDLC-JOCHJYFZSA-N 1 0 377.488 3.505 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)c2)CC1 ZINC000470594828 930738118 /nfs/dbraw/zinc/73/81/18/930738118.db2.gz OBDZGQZAPCZDGA-UHFFFAOYSA-N 1 0 396.579 3.662 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000547275574 930874203 /nfs/dbraw/zinc/87/42/03/930874203.db2.gz FAWSGCSZTJLEOA-UHFFFAOYSA-N 1 0 375.472 3.927 20 30 GHEDRO COc1cc(C[NH+]2CCC(C)(CO)CC2)ccc1OCc1cccc(C#N)c1 ZINC000547294412 930890313 /nfs/dbraw/zinc/89/03/13/930890313.db2.gz OKWXGHJKOTZBRM-UHFFFAOYSA-N 1 0 380.488 3.740 20 30 GHEDRO C[NH+](C)Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000470839547 930960278 /nfs/dbraw/zinc/96/02/78/930960278.db2.gz FQDOJYXCXKIDDY-UHFFFAOYSA-N 1 0 390.487 3.583 20 30 GHEDRO CC1(c2ccc(Cl)cc2)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000470872997 930987005 /nfs/dbraw/zinc/98/70/05/930987005.db2.gz WPUVRSDFKRVTPH-UHFFFAOYSA-N 1 0 381.907 3.882 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000781900313 931018391 /nfs/dbraw/zinc/01/83/91/931018391.db2.gz ITTPRFGRBUERJH-UHFFFAOYSA-N 1 0 390.405 3.927 20 30 GHEDRO CCOC(=O)CCCCC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471001832 931087245 /nfs/dbraw/zinc/08/72/45/931087245.db2.gz SWVQPTUILHLJDB-LJQANCHMSA-N 1 0 377.916 3.646 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782391476 931204127 /nfs/dbraw/zinc/20/41/27/931204127.db2.gz LEBYNGHCPRRMIF-WIYYLYMNSA-N 1 0 389.421 3.909 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782522655 931255805 /nfs/dbraw/zinc/25/58/05/931255805.db2.gz FJLWKVCJIFZLOA-INIZCTEOSA-N 1 0 398.466 3.613 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)CC1 ZINC000782658423 931292687 /nfs/dbraw/zinc/29/26/87/931292687.db2.gz KIWXBPSWMMNZLL-UHFFFAOYSA-N 1 0 394.541 3.569 20 30 GHEDRO CC(C)n1ccc(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000925107142 931648491 /nfs/dbraw/zinc/64/84/91/931648491.db2.gz RUZJHULGYFNHPT-KRWDZBQOSA-N 1 0 389.544 3.873 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@H](C)CC(C)(C)C2)c1=S ZINC000784007699 931752518 /nfs/dbraw/zinc/75/25/18/931752518.db2.gz KTGHPCGOIQFTRG-GOSISDBHSA-N 1 0 391.629 3.954 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000558268413 931913352 /nfs/dbraw/zinc/91/33/52/931913352.db2.gz LAPJBDVKOUDXCQ-UHFFFAOYSA-N 1 0 391.947 3.933 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000926017540 932002433 /nfs/dbraw/zinc/00/24/33/932002433.db2.gz GYGNXMNLDSGLHZ-HXUWFJFHSA-N 1 0 378.476 3.647 20 30 GHEDRO C=CCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000558459901 932013665 /nfs/dbraw/zinc/01/36/65/932013665.db2.gz SFWVTVFSHRJKRX-UHFFFAOYSA-N 1 0 385.531 3.904 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796958917 932124098 /nfs/dbraw/zinc/12/40/98/932124098.db2.gz IOVMNEPEWKSDQG-PMACEKPBSA-N 1 0 398.551 3.953 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1[O-] ZINC000926377650 932154508 /nfs/dbraw/zinc/15/45/08/932154508.db2.gz LFAVUBDKHSPEFQ-JOCHJYFZSA-N 1 0 379.504 3.978 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000558672835 932156294 /nfs/dbraw/zinc/15/62/94/932156294.db2.gz SYCTUPVKVWUABF-RTBURBONSA-N 1 0 380.540 3.617 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000926412484 932168405 /nfs/dbraw/zinc/16/84/05/932168405.db2.gz VJCXDLGBMYGSTR-RCCFBDPRSA-N 1 0 379.545 3.568 20 30 GHEDRO CCc1noc(C)c1C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926480582 932201124 /nfs/dbraw/zinc/20/11/24/932201124.db2.gz FNHKYKKEAAJGON-HNNXBMFYSA-N 1 0 390.528 3.955 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1ccc(C#N)cc1 ZINC000558743721 932206674 /nfs/dbraw/zinc/20/66/74/932206674.db2.gz YROIGBJOXGLKSU-NSHDSACASA-N 1 0 376.229 3.749 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCSc3ccccc32)c(OC)c1 ZINC000558750941 932211435 /nfs/dbraw/zinc/21/14/35/932211435.db2.gz WVEHOIFIHZABDL-PKOBYXMFSA-N 1 0 385.529 3.990 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000797341163 932255870 /nfs/dbraw/zinc/25/58/70/932255870.db2.gz CNYJUEJVCHGVSI-JOCHJYFZSA-N 1 0 392.499 3.975 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1SCCS1 ZINC000926726460 932283727 /nfs/dbraw/zinc/28/37/27/932283727.db2.gz OFZHSJCMVWBWIB-CQSZACIVSA-N 1 0 385.599 3.702 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926916589 932347553 /nfs/dbraw/zinc/34/75/53/932347553.db2.gz RIOZAVQIOQNDNN-JBYIUTFZSA-N 1 0 391.556 3.855 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000559026714 932381823 /nfs/dbraw/zinc/38/18/23/932381823.db2.gz VBYZBNQBLCPMPY-SFHVURJKSA-N 1 0 385.943 3.773 20 30 GHEDRO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2cnn(C)c2)c1 ZINC000559056506 932401734 /nfs/dbraw/zinc/40/17/34/932401734.db2.gz MYXQHGBOMMMISX-DEOSSOPVSA-N 1 0 385.515 3.778 20 30 GHEDRO C=CCc1cc(C[NH+]2CCN(Cc3ccc(OCC)cc3)CC2)c(O)c(OC)c1 ZINC000798222210 932569051 /nfs/dbraw/zinc/56/90/51/932569051.db2.gz HRSQFFCUSKXQNO-UHFFFAOYSA-N 1 0 396.531 3.846 20 30 GHEDRO C#CCCCCC(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000798241476 932573997 /nfs/dbraw/zinc/57/39/97/932573997.db2.gz YPAIKDCVXMAOON-UHFFFAOYSA-N 1 0 394.357 3.959 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000559311415 932592247 /nfs/dbraw/zinc/59/22/47/932592247.db2.gz JWXKJJPCLMEBCE-XLIONFOSSA-N 1 0 395.478 3.830 20 30 GHEDRO C[C@@]1(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000798469165 932658476 /nfs/dbraw/zinc/65/84/76/932658476.db2.gz NKGXKEWEPXXLBE-UPVQGACJSA-N 1 0 388.515 3.757 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928014072 932765365 /nfs/dbraw/zinc/76/53/65/932765365.db2.gz PJFDQHCNIICCMZ-UHFFFAOYSA-N 1 0 399.535 3.639 20 30 GHEDRO Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000799352773 932962768 /nfs/dbraw/zinc/96/27/68/932962768.db2.gz PELCDMLHDCVPTQ-NRFANRHFSA-N 1 0 385.471 3.763 20 30 GHEDRO Cc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1C#N ZINC000799425408 933000671 /nfs/dbraw/zinc/00/06/71/933000671.db2.gz VBDXDTHTVXABHD-GOSISDBHSA-N 1 0 375.394 3.918 20 30 GHEDRO CCCCCCCS(=O)(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000799637810 933074614 /nfs/dbraw/zinc/07/46/14/933074614.db2.gz UEUUWDHOWCCKFN-UHFFFAOYSA-N 1 0 381.586 3.849 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC1 ZINC001115998858 933274594 /nfs/dbraw/zinc/27/45/94/933274594.db2.gz SWCFMNWDGSEHJT-UHFFFAOYSA-N 1 0 396.510 3.796 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3ccc(CC#N)cc3)cc2)C1 ZINC001116477133 933581410 /nfs/dbraw/zinc/58/14/10/933581410.db2.gz OZLUKYREAGUCJD-KRWDZBQOSA-N 1 0 383.517 3.785 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)cc2)cn1 ZINC001116865764 933802036 /nfs/dbraw/zinc/80/20/36/933802036.db2.gz RPEWYESSWVRMRV-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO Cc1ccc(S(=O)(=O)CCCN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000561080088 933843524 /nfs/dbraw/zinc/84/35/24/933843524.db2.gz WVRJNYQAXRVRNL-UHFFFAOYSA-N 1 0 380.513 3.820 20 30 GHEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001118146863 934098412 /nfs/dbraw/zinc/09/84/12/934098412.db2.gz FZFBYHRAZFCIMG-CQSZACIVSA-N 1 0 386.293 3.870 20 30 GHEDRO CC[NH+]1C[C@H](C)N(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000561383183 934100339 /nfs/dbraw/zinc/10/03/39/934100339.db2.gz GYSLVQXUYRCBEG-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1ccc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1Cl ZINC000561416617 934143767 /nfs/dbraw/zinc/14/37/67/934143767.db2.gz BRKICGDNFVLDPD-OAQYLSRUSA-N 1 0 380.923 3.608 20 30 GHEDRO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](CC)CC1 ZINC000562018614 934636204 /nfs/dbraw/zinc/63/62/04/934636204.db2.gz CIZUYFFZFSEAQE-UHFFFAOYSA-N 1 0 394.548 3.705 20 30 GHEDRO CCN(c1nnc(CCCCC#N)n1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121398690 934645628 /nfs/dbraw/zinc/64/56/28/934645628.db2.gz OMTHAXPPDMBBAO-QUCCMNQESA-N 1 0 380.540 3.713 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001121495465 934674310 /nfs/dbraw/zinc/67/43/10/934674310.db2.gz ICVJVSGUEJIGHZ-DYXWJJEUSA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC(OCC)CC1 ZINC001121595195 934710481 /nfs/dbraw/zinc/71/04/81/934710481.db2.gz MBDXIQWECOGINH-HXUWFJFHSA-N 1 0 387.572 3.939 20 30 GHEDRO C=CCn1c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1C(C)(C)CC#N ZINC001121662661 934731226 /nfs/dbraw/zinc/73/12/26/934731226.db2.gz FWQLVBQWCXQGQT-LJQANCHMSA-N 1 0 392.551 3.756 20 30 GHEDRO CCCCCCCC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC001122056022 934810293 /nfs/dbraw/zinc/81/02/93/934810293.db2.gz AWVUSVMEFHFEBO-UXHICEINSA-N 1 0 391.600 3.706 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000932205623 934849667 /nfs/dbraw/zinc/84/96/67/934849667.db2.gz YZTFDICKGSVOED-KRWDZBQOSA-N 1 0 377.517 3.870 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3c3ccnn3C)sc2C1 ZINC000932266868 934863791 /nfs/dbraw/zinc/86/37/91/934863791.db2.gz VNBZKOMIKRQYIZ-RDTXWAMCSA-N 1 0 397.548 3.644 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001122465564 934876227 /nfs/dbraw/zinc/87/62/27/934876227.db2.gz ABTSIPOIIBSONJ-SXLOBPIMSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001122476513 934878647 /nfs/dbraw/zinc/87/86/47/934878647.db2.gz LTAZZQZDXWVHOA-HNNXBMFYSA-N 1 0 384.528 3.616 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nnc1[C@@]1(C)CCC=CO1 ZINC001122540872 934894452 /nfs/dbraw/zinc/89/44/52/934894452.db2.gz WQOZRSXNDZXPMI-LMVRJCEZSA-N 1 0 385.556 3.560 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001122553778 934898462 /nfs/dbraw/zinc/89/84/62/934898462.db2.gz XNQLOYMKGABJHQ-ZCNNSNEGSA-N 1 0 394.567 3.700 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001122602112 934916043 /nfs/dbraw/zinc/91/60/43/934916043.db2.gz MUZUIVJWIVPSGQ-NRSPTQNISA-N 1 0 395.551 3.630 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N3CCC(C(F)(F)F)CC3)n2CC(C)C)CC1 ZINC001122736383 934967071 /nfs/dbraw/zinc/96/70/71/934967071.db2.gz SQKKNVFEBAUDCL-UHFFFAOYSA-N 1 0 397.489 3.525 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(Br)c3)C2)C1=O ZINC001137553472 935582391 /nfs/dbraw/zinc/58/23/91/935582391.db2.gz IUFHOPHSJQCGKW-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c1 ZINC001137699625 935731085 /nfs/dbraw/zinc/73/10/85/935731085.db2.gz NXDYSGBPVBINKY-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO COc1ccc(CN2CC(c3[nH+]cn4cc(Br)ccc34)C2)c(C#N)c1 ZINC001137704614 935734535 /nfs/dbraw/zinc/73/45/35/935734535.db2.gz NLHIFLKDDNHZTK-UHFFFAOYSA-N 1 0 397.276 3.576 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(CC(C)C)CC1 ZINC000829154786 935774314 /nfs/dbraw/zinc/77/43/14/935774314.db2.gz VGJQGTZYIXMVPG-UXHICEINSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CC1(CC(=O)N(C)CCCC[NH+]2CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000829485233 935816277 /nfs/dbraw/zinc/81/62/77/935816277.db2.gz ZGMNPXXDHDPVJJ-UHFFFAOYSA-N 1 0 393.572 3.524 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)cc1 ZINC001137903922 935857679 /nfs/dbraw/zinc/85/76/79/935857679.db2.gz BGGVQYAQTHUBBT-UHFFFAOYSA-N 1 0 388.515 3.913 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000829769379 935858533 /nfs/dbraw/zinc/85/85/33/935858533.db2.gz UCKXUBVRXZSYEN-ZDUSSCGKSA-N 1 0 377.391 3.582 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000830183945 935910360 /nfs/dbraw/zinc/91/03/60/935910360.db2.gz ZZFCZLWQFUWJHP-KZNAEPCWSA-N 1 0 379.545 3.805 20 30 GHEDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000830402069 935940724 /nfs/dbraw/zinc/94/07/24/935940724.db2.gz UMJKGBRQSMYMLQ-VXKWHMMOSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000484528162 1014706135 /nfs/dbraw/zinc/70/61/35/1014706135.db2.gz BYFXCAWQKJBWNC-NRFANRHFSA-N 1 0 392.478 3.707 20 30 GHEDRO CCC[NH+]1CCN(C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)CC1 ZINC001626103432 1014887533 /nfs/dbraw/zinc/88/75/33/1014887533.db2.gz PCEFZBGNHFHDGV-UHFFFAOYSA-N 1 0 379.464 3.614 20 30 GHEDRO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544893609 1015166888 /nfs/dbraw/zinc/16/68/88/1015166888.db2.gz BUYRUJIVOOOYDD-NRFANRHFSA-N 1 0 387.487 3.705 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000544895641 1015170581 /nfs/dbraw/zinc/17/05/81/1015170581.db2.gz JYBKILZEPPBVHR-SFHVURJKSA-N 1 0 396.535 3.919 20 30 GHEDRO N#CC1(NC(=O)Cc2cccc(C(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000468425772 1015695723 /nfs/dbraw/zinc/69/57/23/1015695723.db2.gz JOOILJHTWDBPIU-UHFFFAOYSA-N 1 0 383.442 3.841 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1OC ZINC000545291136 1015742415 /nfs/dbraw/zinc/74/24/15/1015742415.db2.gz PBHAEOXSBHHCGA-UHFFFAOYSA-N 1 0 394.313 3.781 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000545296690 1015751246 /nfs/dbraw/zinc/75/12/46/1015751246.db2.gz POZCYQXZPFKXLU-UHFFFAOYSA-N 1 0 392.503 3.739 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C#N)cc1OC)[NH+]1CCCC1 ZINC000545294314 1015748601 /nfs/dbraw/zinc/74/86/01/1015748601.db2.gz FAPJWTMOPIDYKJ-IBGZPJMESA-N 1 0 394.475 3.534 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000545304448 1015758746 /nfs/dbraw/zinc/75/87/46/1015758746.db2.gz AEEHQQGTJDYELN-UHFFFAOYSA-N 1 0 392.499 3.909 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C(C)C ZINC000468507957 1015763379 /nfs/dbraw/zinc/76/33/79/1015763379.db2.gz QEVYABNDTWZFNX-HXUWFJFHSA-N 1 0 378.476 3.642 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)s2)cc1 ZINC000468784013 1016027556 /nfs/dbraw/zinc/02/75/56/1016027556.db2.gz BHXGANQMSLDPNA-ZFWWWQNUSA-N 1 0 398.532 3.729 20 30 GHEDRO CC(C)CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468969478 1016290875 /nfs/dbraw/zinc/29/08/75/1016290875.db2.gz OMSNBBJMOZUHON-MRXNPFEDSA-N 1 0 389.565 3.964 20 30 GHEDRO N#Cc1c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc2cc(Cl)ccn12 ZINC000557558534 1017017432 /nfs/dbraw/zinc/01/74/32/1017017432.db2.gz KLNRTDPWLBNADL-QGZVFWFLSA-N 1 0 379.895 3.836 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001154662474 1032227818 /nfs/dbraw/zinc/22/78/18/1032227818.db2.gz ZQOGCMJEMMOANP-UHFFFAOYSA-N 1 0 384.442 3.831 20 30 GHEDRO N#Cc1ccc2[nH]c(C(=O)N[C@@H](c3ccc(F)cc3)C3CC[NH2+]CC3)cc2c1 ZINC001221045307 1032252534 /nfs/dbraw/zinc/25/25/34/1032252534.db2.gz DOIFXBFOTQMKRN-NRFANRHFSA-N 1 0 376.435 3.649 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001227176655 1032308889 /nfs/dbraw/zinc/30/88/89/1032308889.db2.gz KVBFJCRKUFKKSE-OAHLLOKOSA-N 1 0 381.259 3.766 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1-n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001154855147 1032313567 /nfs/dbraw/zinc/31/35/67/1032313567.db2.gz VHWVGWLUHAIGJN-UHFFFAOYSA-N 1 0 395.747 3.749 20 30 GHEDRO C[NH+](C)C[C@@H]1COCCN1c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001154975660 1032364850 /nfs/dbraw/zinc/36/48/50/1032364850.db2.gz DWEVNSPTXAXNET-QGZVFWFLSA-N 1 0 378.501 3.602 20 30 GHEDRO COc1cc(C(F)(F)n2c3ccccc3nc2[C@H](C)[NH3+])c(C#N)c(Cl)n1 ZINC001155255951 1032473133 /nfs/dbraw/zinc/47/31/33/1032473133.db2.gz YNRWXXFUFCJKDX-VIFPVBQESA-N 1 0 377.782 3.582 20 30 GHEDRO C#Cc1ccc(C(=O)Nc2ccc(C[N@H+](C)CCOc3ccccc3)cc2)nc1 ZINC001155366595 1032521767 /nfs/dbraw/zinc/52/17/67/1032521767.db2.gz AXXMAKSXGOMJHT-UHFFFAOYSA-N 1 0 385.467 3.826 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC001221805359 1032540741 /nfs/dbraw/zinc/54/07/41/1032540741.db2.gz SOCIGFDFHJAXGP-OAQYLSRUSA-N 1 0 382.483 3.970 20 30 GHEDRO C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@H+](C)Cc1ccccc1 ZINC001227764137 1032545782 /nfs/dbraw/zinc/54/57/82/1032545782.db2.gz CUAJHMNJJCVNHC-VGOFRKELSA-N 1 0 376.504 3.755 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001155560391 1032580462 /nfs/dbraw/zinc/58/04/62/1032580462.db2.gz YZWAEYMSCUIPGZ-SNVBAGLBSA-N 1 0 375.231 3.805 20 30 GHEDRO COC(=O)C1=C[C@@H](Oc2cccc(Cl)c2C#N)CN(Cc2ccccc2)C1 ZINC001227788186 1032604551 /nfs/dbraw/zinc/60/45/51/1032604551.db2.gz XCPJUUUWTDALAO-QGZVFWFLSA-N 1 0 382.847 3.574 20 30 GHEDRO C=CCOc1cc(C)nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155630151 1032609937 /nfs/dbraw/zinc/60/99/37/1032609937.db2.gz RZPTYBFLZMSYKT-GPQLQYNLSA-N 1 0 380.536 3.749 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1OC(F)(F)F ZINC001204208846 1032658970 /nfs/dbraw/zinc/65/89/70/1032658970.db2.gz QUIDXSPSJBHKTJ-HNNXBMFYSA-N 1 0 382.386 3.595 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1OC ZINC000925398103 1017079139 /nfs/dbraw/zinc/07/91/39/1017079139.db2.gz UGKWJTNACHWPND-ZCNNSNEGSA-N 1 0 382.508 3.611 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](CO)c2ccccc2Cl)c(-c2ccccc2)n1 ZINC000558119961 1017117893 /nfs/dbraw/zinc/11/78/93/1017117893.db2.gz PMDJNEHMCKBVSI-IBGZPJMESA-N 1 0 394.906 3.983 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)NC(C)(C)COCc1ccccc1)c1ccc(C#N)cc1 ZINC000558736120 1017275819 /nfs/dbraw/zinc/27/58/19/1017275819.db2.gz PUNBNSPOJOZOQL-GOSISDBHSA-N 1 0 394.519 3.503 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559144980 1017374222 /nfs/dbraw/zinc/37/42/22/1017374222.db2.gz FNGZDJCKBXFLLN-UYAOXDASSA-N 1 0 383.858 3.533 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000931252106 1017948720 /nfs/dbraw/zinc/94/87/20/1017948720.db2.gz GOKOMAUHGNHEHG-UHFFFAOYSA-N 1 0 394.519 3.907 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)cc1 ZINC001204299696 1032738151 /nfs/dbraw/zinc/73/81/51/1032738151.db2.gz DNOXMDRWTBFHNJ-OAQYLSRUSA-N 1 0 398.547 3.635 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)c1 ZINC000562180345 1018062460 /nfs/dbraw/zinc/06/24/60/1018062460.db2.gz PURPLRHHBBQEOG-GOSISDBHSA-N 1 0 380.517 3.745 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)cc1 ZINC001204299743 1032738889 /nfs/dbraw/zinc/73/88/89/1032738889.db2.gz FPUWYNHNVDFFQD-YTFSRNRJSA-N 1 0 380.488 3.847 20 30 GHEDRO CCCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001204308631 1032751834 /nfs/dbraw/zinc/75/18/34/1032751834.db2.gz HHSKNGSFMGGGMU-DEOSSOPVSA-N 1 0 389.499 3.976 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)Nc3ccc(CCC#N)cc3)CCCC2)CC1 ZINC000932577524 1018480616 /nfs/dbraw/zinc/48/06/16/1018480616.db2.gz OOPPSUNAKNZIRX-UHFFFAOYSA-N 1 0 384.524 3.688 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000562684740 1018534805 /nfs/dbraw/zinc/53/48/05/1018534805.db2.gz VPPOIVGPFWIPIH-FCHUYYIVSA-N 1 0 399.498 3.951 20 30 GHEDRO N#CC1(NC(=O)C(F)(F)c2ccccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000778111511 1018590442 /nfs/dbraw/zinc/59/04/42/1018590442.db2.gz YUSHSDLDUGLWRS-UHFFFAOYSA-N 1 0 387.405 3.592 20 30 GHEDRO C/C(=C\C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000778114934 1018604534 /nfs/dbraw/zinc/60/45/34/1018604534.db2.gz XMLAMPQIUJKTCC-OBGWFSINSA-N 1 0 377.463 3.904 20 30 GHEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000562815172 1018674582 /nfs/dbraw/zinc/67/45/82/1018674582.db2.gz TYFHAGIJJXFQDH-LAUBAEHRSA-N 1 0 394.494 3.797 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932942711 1018771635 /nfs/dbraw/zinc/77/16/35/1018771635.db2.gz IHJDEWCCGORCJM-MXWKQRLJSA-N 1 0 381.307 3.906 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1 ZINC000933071555 1018829279 /nfs/dbraw/zinc/82/92/79/1018829279.db2.gz CEXCHHYAIGQUHX-NRFANRHFSA-N 1 0 378.472 3.678 20 30 GHEDRO COCC[NH+]1CCC(Oc2ccccc2N=CC=Nc2ccccc2O)CC1 ZINC001228126973 1032797983 /nfs/dbraw/zinc/79/79/83/1032797983.db2.gz JZTQKXJLQIWMSQ-UHFFFAOYSA-N 1 0 381.476 3.987 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1C ZINC000564759695 1019109325 /nfs/dbraw/zinc/10/93/25/1019109325.db2.gz DVEBLLPOUVORFF-XUZZJYLKSA-N 1 0 390.531 3.585 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000565133851 1019166740 /nfs/dbraw/zinc/16/67/40/1019166740.db2.gz DPUFPTKSUOTVRH-FYYLOGMGSA-N 1 0 398.551 3.968 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001204371226 1032813171 /nfs/dbraw/zinc/81/31/71/1032813171.db2.gz UAKMXZPXTLCUNO-HSZRJFAPSA-N 1 0 377.463 3.712 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000567685713 1019331900 /nfs/dbraw/zinc/33/19/00/1019331900.db2.gz JRUDVEOGRRVZGU-PXNSSMCTSA-N 1 0 386.879 3.649 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)CC3)n2C2CC2)cc1 ZINC000569818756 1019522474 /nfs/dbraw/zinc/52/24/74/1019522474.db2.gz FPKMYGKSBUZSBM-IBGZPJMESA-N 1 0 376.508 3.606 20 30 GHEDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000570222975 1019572302 /nfs/dbraw/zinc/57/23/02/1019572302.db2.gz JSCOAXGZJYEVGP-XZOQPEGZSA-N 1 0 389.499 3.725 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000577590356 1020262772 /nfs/dbraw/zinc/26/27/72/1020262772.db2.gz LYAYSUFDEJDXKZ-VQTJNVASSA-N 1 0 390.487 3.519 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(c3ccc4c(c3)OCO4)CCOCC1)CC2 ZINC000577990507 1020300186 /nfs/dbraw/zinc/30/01/86/1020300186.db2.gz RJBHRTHPWSPRFI-HXUWFJFHSA-N 1 0 376.456 3.612 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000578096423 1020325446 /nfs/dbraw/zinc/32/54/46/1020325446.db2.gz IOUAPCJOTMCIRB-IUODEOHRSA-N 1 0 393.256 3.550 20 30 GHEDRO N#Cc1ccc(C(F)(F)n2ccc3cc(N4CC[NH2+]CC4)ccc32)nc1Cl ZINC001156206337 1032922380 /nfs/dbraw/zinc/92/23/80/1032922380.db2.gz MHIYXMOFTPGAEL-UHFFFAOYSA-N 1 0 387.821 3.569 20 30 GHEDRO CCOC(=O)CCc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001228408826 1032922799 /nfs/dbraw/zinc/92/27/99/1032922799.db2.gz DUBBJRZMUDVIAY-QFIPXVFZSA-N 1 0 378.472 3.707 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)n1ccc2cc(N3CC[NH2+]CC3)ccc21 ZINC001156215226 1032926282 /nfs/dbraw/zinc/92/62/82/1032926282.db2.gz GGNOXBVMUYDVOI-UHFFFAOYSA-N 1 0 387.821 3.569 20 30 GHEDRO [NH2+]=C(NCCCO[C@H]1CCCc2ccccc21)N[C@H]1CCOc2ccccc21 ZINC000304750058 1021154653 /nfs/dbraw/zinc/15/46/53/1021154653.db2.gz IBWLETPEQDJFBY-SFTDATJTSA-N 1 0 379.504 3.899 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2nc(Cl)nc(C)c2C#N)cc1 ZINC001156294535 1032963898 /nfs/dbraw/zinc/96/38/98/1032963898.db2.gz PFGHVVAVBDSSRY-QGZVFWFLSA-N 1 0 399.926 3.810 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2ccc3c(C#N)c[nH]c3n2)cc1 ZINC001156294427 1032964380 /nfs/dbraw/zinc/96/43/80/1032964380.db2.gz PCMCBZKKMXTSDY-LJQANCHMSA-N 1 0 389.503 3.934 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c(Cl)cc1N ZINC001626150361 1021284467 /nfs/dbraw/zinc/28/44/67/1021284467.db2.gz LIJXQXVNPCWOLR-UHFFFAOYSA-N 1 0 391.302 3.651 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3[nH]nc4ccc(C)cc43)C2)CC1 ZINC001140328262 1021412098 /nfs/dbraw/zinc/41/20/98/1021412098.db2.gz ZHPPKDWCGIRGPG-UHFFFAOYSA-N 1 0 382.508 3.872 20 30 GHEDRO CCOc1cc(F)cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC001204573383 1032979693 /nfs/dbraw/zinc/97/96/93/1032979693.db2.gz LYKFPUALIVHRCH-UHFFFAOYSA-N 1 0 381.451 3.947 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000834783672 1021467655 /nfs/dbraw/zinc/46/76/55/1021467655.db2.gz NKXGTLXFDPWSDB-UHFFFAOYSA-N 1 0 391.519 3.601 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(-c2ccc(C[NH+](C)C)cc2)nc1C(F)(F)F ZINC001204612990 1032995135 /nfs/dbraw/zinc/99/51/35/1032995135.db2.gz BQBNVPDMLQYFKW-UHFFFAOYSA-N 1 0 377.366 3.877 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC[C@@H]1O ZINC001140437062 1021703899 /nfs/dbraw/zinc/70/38/99/1021703899.db2.gz AYCBQDWVRKKVEO-YWZLYKJASA-N 1 0 383.492 3.889 20 30 GHEDRO Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC001228625487 1033014876 /nfs/dbraw/zinc/01/48/76/1033014876.db2.gz AWJJWBZCPBWMEF-PXNSSMCTSA-N 1 0 382.533 3.811 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C2CC[NH+](Cc3ccc(C#N)nc3)CC2)CC1 ZINC001140542696 1021943462 /nfs/dbraw/zinc/94/34/62/1021943462.db2.gz FDVUXNGQYHGUDO-UHFFFAOYSA-N 1 0 384.524 3.812 20 30 GHEDRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3ccc(C#N)nc3)CC2)CC1=O ZINC001140543716 1021943840 /nfs/dbraw/zinc/94/38/40/1021943840.db2.gz RSTKJELHKJGTQA-UHFFFAOYSA-N 1 0 388.515 3.880 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001140598736 1022041021 /nfs/dbraw/zinc/04/10/21/1022041021.db2.gz BZZLEOAKQAJKIZ-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1 ZINC001140598931 1022041757 /nfs/dbraw/zinc/04/17/57/1022041757.db2.gz JXERSRMJRRVQGZ-FQEVSTJZSA-N 1 0 397.906 3.947 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cc(F)c(C#N)c(F)c2)C2CC2)C1 ZINC001140755618 1022445239 /nfs/dbraw/zinc/44/52/39/1022445239.db2.gz MXUULJTZXJALSH-OAHLLOKOSA-N 1 0 377.435 3.810 20 30 GHEDRO N#Cc1c(F)cc(CN2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1F ZINC001140757483 1022447776 /nfs/dbraw/zinc/44/77/76/1022447776.db2.gz KYAUTRMUBHHVBP-NRFANRHFSA-N 1 0 385.389 3.605 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1Cl ZINC001140813669 1022611910 /nfs/dbraw/zinc/61/19/10/1022611910.db2.gz QKXXKMPMKOBESJ-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(N(CC)CC)cc1O)C2 ZINC001140852979 1022701796 /nfs/dbraw/zinc/70/17/96/1022701796.db2.gz HQAQLJTXIOUGMX-GOTSBHOMSA-N 1 0 388.552 3.812 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000754695323 1022837788 /nfs/dbraw/zinc/83/77/88/1022837788.db2.gz XOJJJXQRIYFTSM-WJMWBRGCSA-N 1 0 381.520 3.568 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140923731 1022900254 /nfs/dbraw/zinc/90/02/54/1022900254.db2.gz FPQZDAOAQTWBGG-OAQYLSRUSA-N 1 0 375.944 3.939 20 30 GHEDRO C#CCN(C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C1CC1 ZINC000836364866 1022920396 /nfs/dbraw/zinc/92/03/96/1022920396.db2.gz HKUMMCXJGBOBRL-UHFFFAOYSA-N 1 0 382.508 3.521 20 30 GHEDRO COC(=O)c1cc(O[C@@H]2CCN(Cc3ccccc3C#N)C2)nc2ccccc21 ZINC001228780448 1033092159 /nfs/dbraw/zinc/09/21/59/1033092159.db2.gz DBOLWEQUKZZYPB-GOSISDBHSA-N 1 0 387.439 3.546 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C)cc3O)C[C@@H]2c2ccccc2)C1=O ZINC001140952221 1022980857 /nfs/dbraw/zinc/98/08/57/1022980857.db2.gz IWVOXZJNZIHGDM-QPPBQGQZSA-N 1 0 376.500 3.705 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075358 1023434821 /nfs/dbraw/zinc/43/48/21/1023434821.db2.gz NVBIUOCXMOBTCB-UKILVPOCSA-N 1 0 396.575 3.959 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000755984808 1023464708 /nfs/dbraw/zinc/46/47/08/1023464708.db2.gz VETPWTMUFMAEQP-FGZHOGPDSA-N 1 0 377.488 3.865 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccccc3-c3cccs3)CC2)C1=O ZINC001141095873 1023476834 /nfs/dbraw/zinc/47/68/34/1023476834.db2.gz XGVOAPZZDFROQR-UHFFFAOYSA-N 1 0 395.572 3.710 20 30 GHEDRO C#CCCOc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000756117981 1023527345 /nfs/dbraw/zinc/52/73/45/1023527345.db2.gz CXKUYULDGJFDKI-UHFFFAOYSA-N 1 0 394.334 3.907 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc2c(c1)oc(=O)cc2-c1ccc(F)cc1 ZINC001228899680 1033166250 /nfs/dbraw/zinc/16/62/50/1033166250.db2.gz VWOQKXRQNZDDHU-GOSISDBHSA-N 1 0 381.427 3.966 20 30 GHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000756888776 1023848490 /nfs/dbraw/zinc/84/84/90/1023848490.db2.gz WQAZPGHTIYXQAT-OAHLLOKOSA-N 1 0 399.454 3.664 20 30 GHEDRO C#CC[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000757062425 1023924097 /nfs/dbraw/zinc/92/40/97/1023924097.db2.gz OIVMZRZNGUDEJV-JTHBVZDNSA-N 1 0 375.516 3.915 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(F)cc(C)cc3Br)CC2)C1=O ZINC001277344767 1033200746 /nfs/dbraw/zinc/20/07/46/1033200746.db2.gz BMVYJVGMILHNGJ-UHFFFAOYSA-N 1 0 395.316 3.897 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000831439819 1024563783 /nfs/dbraw/zinc/56/37/83/1024563783.db2.gz ZVNRVVATHSSSBG-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1)c1ccccn1 ZINC001138335852 1024697857 /nfs/dbraw/zinc/69/78/57/1024697857.db2.gz DKSNPRANOKZHBJ-UHFFFAOYSA-N 1 0 395.506 3.876 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c[nH]c2c1cccc2CC ZINC001138359974 1024723764 /nfs/dbraw/zinc/72/37/64/1024723764.db2.gz CBZQDMHDHRLJSS-HXUWFJFHSA-N 1 0 379.508 3.644 20 30 GHEDRO COC(=O)C1(C#N)CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000831687163 1024741411 /nfs/dbraw/zinc/74/14/11/1024741411.db2.gz JTZBWUGDKYKMIA-UHFFFAOYSA-N 1 0 378.472 3.571 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C2 ZINC001138552525 1025008135 /nfs/dbraw/zinc/00/81/35/1025008135.db2.gz DTMMWPCLBXOUSE-NRFANRHFSA-N 1 0 394.462 3.830 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCc2ccccc2CC1 ZINC000831920456 1025017830 /nfs/dbraw/zinc/01/78/30/1025017830.db2.gz KCQOECMTPBJACG-FQEVSTJZSA-N 1 0 382.467 3.715 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)c1O ZINC001138629730 1025131553 /nfs/dbraw/zinc/13/15/53/1025131553.db2.gz HFLBLHRTEDMOLO-UHFFFAOYSA-N 1 0 388.515 3.937 20 30 GHEDRO C=C(C)COc1ccccc1CN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001138661301 1025181249 /nfs/dbraw/zinc/18/12/49/1025181249.db2.gz SKKHSEZQUUOJME-FQEVSTJZSA-N 1 0 381.520 3.897 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001138660912 1025181272 /nfs/dbraw/zinc/18/12/72/1025181272.db2.gz HNUOHMQAKACNCU-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138742933 1025282961 /nfs/dbraw/zinc/28/29/61/1025282961.db2.gz JEDYKRBEBYZMBY-FPOVZHCZSA-N 1 0 395.927 3.931 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898298 1025426526 /nfs/dbraw/zinc/42/65/26/1025426526.db2.gz YIJMEMZBHCDNNS-ZBFHGGJFSA-N 1 0 388.468 3.592 20 30 GHEDRO N#Cc1ccc2ncnc(O[C@@H]3CCCN(Cc4cnc(Cl)s4)C3)c2c1 ZINC001229106323 1033282630 /nfs/dbraw/zinc/28/26/30/1033282630.db2.gz FFAZXDSPSUSDJF-CYBMUJFWSA-N 1 0 385.880 3.655 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC(F)(F)F)cc1OC)CC2 ZINC001138849317 1025464832 /nfs/dbraw/zinc/46/48/32/1025464832.db2.gz JHVJUZRRBSAPPI-UHFFFAOYSA-N 1 0 398.425 3.737 20 30 GHEDRO CCOc1cc(C[NH2+]Cc2ccc(OC)c(C#N)c2)cc(Br)c1O ZINC000838981182 1025498129 /nfs/dbraw/zinc/49/81/29/1025498129.db2.gz VDBPZYZCSDJMKN-UHFFFAOYSA-N 1 0 391.265 3.723 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC001138880808 1025514994 /nfs/dbraw/zinc/51/49/94/1025514994.db2.gz AEVNTRAMGHIRKQ-JOCHJYFZSA-N 1 0 382.483 3.749 20 30 GHEDRO COc1cccc(C2(NC(F)(F)c3cnc(Cl)c(C#N)c3)CC[NH2+]CC2)c1 ZINC001161995630 1025528101 /nfs/dbraw/zinc/52/81/01/1025528101.db2.gz KWLYCJITHBVART-UHFFFAOYSA-N 1 0 392.837 3.533 20 30 GHEDRO COCCC1(CNc2ncc3c(c2C#N)CCC[NH2+]C3)CCC(F)(F)CC1 ZINC001162006036 1025533678 /nfs/dbraw/zinc/53/36/78/1025533678.db2.gz RFTZDFCBYKJDDQ-UHFFFAOYSA-N 1 0 378.467 3.633 20 30 GHEDRO N#Cc1c[nH]c2nc(N3CCC([NH3+])(Cc4ccc(C(F)(F)F)cc4)CC3)ccc12 ZINC001162055879 1025572184 /nfs/dbraw/zinc/57/21/84/1025572184.db2.gz OITAOPVPBGUTJT-UHFFFAOYSA-N 1 0 399.420 3.994 20 30 GHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000839096411 1025594952 /nfs/dbraw/zinc/59/49/52/1025594952.db2.gz ULMWKGZKKNMQBD-SJLPKXTDSA-N 1 0 377.533 3.685 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3nc(C#N)c(Cl)s3)CC2)c1 ZINC001162120130 1025617373 /nfs/dbraw/zinc/61/73/73/1025617373.db2.gz IMKNYUGMVMVCHO-UHFFFAOYSA-N 1 0 389.956 3.991 20 30 GHEDRO N#CC1(CCC[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)CCOCC1 ZINC000839152389 1025652773 /nfs/dbraw/zinc/65/27/73/1025652773.db2.gz MPWNQLUWKWFRAS-HXUWFJFHSA-N 1 0 378.463 3.811 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839156698 1025659448 /nfs/dbraw/zinc/65/94/48/1025659448.db2.gz ZHBKPTFTNVEIGP-JOCHJYFZSA-N 1 0 399.441 3.611 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839158874 1025662261 /nfs/dbraw/zinc/66/22/61/1025662261.db2.gz YQLNFJIMJWJJRK-QRWLVFNGSA-N 1 0 380.479 3.523 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162807524 1025923766 /nfs/dbraw/zinc/92/37/66/1025923766.db2.gz KNWZMLWZZISJRN-UHFFFAOYSA-N 1 0 393.834 3.926 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc4cccnc4cc3F)C2)C1 ZINC001141620586 1025925020 /nfs/dbraw/zinc/92/50/20/1025925020.db2.gz BQIHHPRMOIOTPX-QFIPXVFZSA-N 1 0 383.467 3.984 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)c1C#N ZINC001163054083 1026026257 /nfs/dbraw/zinc/02/62/57/1026026257.db2.gz WNEVVKDXJCZUIV-INIZCTEOSA-N 1 0 391.500 3.515 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC001141659489 1026136070 /nfs/dbraw/zinc/13/60/70/1026136070.db2.gz PSTWXOXFIDMVAW-MRXNPFEDSA-N 1 0 390.325 3.545 20 30 GHEDRO COC[C@@H]1COCCC12CC[NH+](Cc1cc(C#N)ccc1Br)CC2 ZINC001141659236 1026136725 /nfs/dbraw/zinc/13/67/25/1026136725.db2.gz GRYHZCHQYKEFEI-QGZVFWFLSA-N 1 0 393.325 3.586 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC001163315164 1026139316 /nfs/dbraw/zinc/13/93/16/1026139316.db2.gz KTISWHHVVRXLAO-AYPRBGQRSA-N 1 0 395.960 3.893 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)cn2)C[C@H](C)O1 ZINC001139384065 1026252617 /nfs/dbraw/zinc/25/26/17/1026252617.db2.gz ZGNIPRNZDNWHGA-BGYRXZFFSA-N 1 0 390.531 3.753 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)cc1 ZINC001163643034 1026263707 /nfs/dbraw/zinc/26/37/07/1026263707.db2.gz GVGCWFULLJUHQF-LEDOBFOHSA-N 1 0 377.488 3.929 20 30 GHEDRO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405743 1026277263 /nfs/dbraw/zinc/27/72/63/1026277263.db2.gz AJEDZAXECKSBAR-OAQYLSRUSA-N 1 0 385.471 3.762 20 30 GHEDRO Cc1cc(O[C@@H]2CCC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)ncn1 ZINC001139406096 1026279279 /nfs/dbraw/zinc/27/92/79/1026279279.db2.gz MFINCUJHZYNODI-OAQYLSRUSA-N 1 0 385.471 3.762 20 30 GHEDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139423408 1026293378 /nfs/dbraw/zinc/29/33/78/1026293378.db2.gz HPHHNHPCDGOGPV-FYYLOGMGSA-N 1 0 393.487 3.763 20 30 GHEDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139423417 1026294104 /nfs/dbraw/zinc/29/41/04/1026294104.db2.gz HPHHNHPCDGOGPV-GGAORHGYSA-N 1 0 393.487 3.763 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=NO)c2ccc(OC(F)(F)F)cc2)cn1 ZINC001163768980 1026310609 /nfs/dbraw/zinc/31/06/09/1026310609.db2.gz IVSSNQCUBYVDIH-UHFFFAOYSA-N 1 0 398.385 3.559 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3ccccc3)nc1)CC2 ZINC001139520874 1026379152 /nfs/dbraw/zinc/37/91/52/1026379152.db2.gz SJHHQBQKSYQPLE-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528324 1026385813 /nfs/dbraw/zinc/38/58/13/1026385813.db2.gz NLXSRSISIYKGKW-HXUWFJFHSA-N 1 0 377.463 3.678 20 30 GHEDRO N#Cc1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(Br)c1 ZINC001164170140 1026439442 /nfs/dbraw/zinc/43/94/42/1026439442.db2.gz KPYRTWWXVJFPDH-MSOLQXFVSA-N 1 0 397.320 3.674 20 30 GHEDRO Cc1cnc(Cl)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001139589701 1026451878 /nfs/dbraw/zinc/45/18/78/1026451878.db2.gz HXYWSAFLVYNJDH-NRFANRHFSA-N 1 0 380.879 3.544 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c1 ZINC001139647154 1026508271 /nfs/dbraw/zinc/50/82/71/1026508271.db2.gz DFGVFQKMHWQVFM-DEOSSOPVSA-N 1 0 391.490 3.755 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(C)nc3cc(C)ccn31)CC2 ZINC001139674493 1026529078 /nfs/dbraw/zinc/52/90/78/1026529078.db2.gz SXXYVFDAESAZQR-UHFFFAOYSA-N 1 0 396.535 3.952 20 30 GHEDRO CCc1nnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(C#N)c1CC ZINC001164493917 1026531426 /nfs/dbraw/zinc/53/14/26/1026531426.db2.gz ZVTVMEOSGJQNEG-PIPMEXSNSA-N 1 0 375.520 3.796 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@H]4O[C@@H](COc5cccnc5)CC[C@H]43)c[nH]c21 ZINC001139701763 1026547035 /nfs/dbraw/zinc/54/70/35/1026547035.db2.gz QHEGPCWMBXDGMB-CEMLEFRQSA-N 1 0 388.471 3.635 20 30 GHEDRO COCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139727022 1026570450 /nfs/dbraw/zinc/57/04/50/1026570450.db2.gz FWMRTWQVSUAGDO-FQEVSTJZSA-N 1 0 387.524 3.715 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1nc(Cl)c(C#N)cc1C#N ZINC001165184349 1026652936 /nfs/dbraw/zinc/65/29/36/1026652936.db2.gz WQJMCAHEBCLZRH-BEFAXECRSA-N 1 0 379.895 3.825 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001139869366 1026682913 /nfs/dbraw/zinc/68/29/13/1026682913.db2.gz HGKRLLXTIAHAOU-UHFFFAOYSA-N 1 0 381.307 3.759 20 30 GHEDRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4cc(F)cc(C#N)c4)C[C@H]3O2)n1 ZINC001139877660 1026694903 /nfs/dbraw/zinc/69/49/03/1026694903.db2.gz RTTKUOYQGPUUER-DZFGPLHGSA-N 1 0 380.467 3.963 20 30 GHEDRO N#Cc1c(Cl)cc(Cl)nc1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165306520 1026699002 /nfs/dbraw/zinc/69/90/02/1026699002.db2.gz IHNLOVGOEOYPMR-LLVKDONJSA-N 1 0 379.213 3.913 20 30 GHEDRO N#C[C@@H](c1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nn1)c1ccccc1F ZINC001165323572 1026704907 /nfs/dbraw/zinc/70/49/07/1026704907.db2.gz LTEGSJIUANLATH-WIYYLYMNSA-N 1 0 379.483 3.630 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cncc5ccccc54)C3)CC2=O)c1 ZINC001139895087 1026711184 /nfs/dbraw/zinc/71/11/84/1026711184.db2.gz AKBWNKUPSCWYRT-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO Cc1cc(C#N)c(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1C ZINC001165475735 1026737796 /nfs/dbraw/zinc/73/77/96/1026737796.db2.gz KYYSTLIGQMBFAC-RBBKRZOGSA-N 1 0 380.467 3.758 20 30 GHEDRO N#Cc1cnc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001165480806 1026742681 /nfs/dbraw/zinc/74/26/81/1026742681.db2.gz PPROEHNEDVDDNZ-PXNSSMCTSA-N 1 0 386.858 3.795 20 30 GHEDRO CC(C)N(c1nc2c(cc1C#N)CCCC2(C)C)c1ncnc2c1CC[NH2+]CC2 ZINC001165514450 1026751644 /nfs/dbraw/zinc/75/16/44/1026751644.db2.gz RIUGVAXYJFYYMX-UHFFFAOYSA-N 1 0 390.535 3.592 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3OC)C2)C1 ZINC001140056512 1026836461 /nfs/dbraw/zinc/83/64/61/1026836461.db2.gz ZQQMWTSYGILFLH-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO COC(C)(C)CNc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001165803646 1026841478 /nfs/dbraw/zinc/84/14/78/1026841478.db2.gz OFUJLQAJKKMSKL-UHFFFAOYSA-N 1 0 378.520 3.976 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccc(O)cc4Cl)C3)CC2=O)c1 ZINC001140086247 1026863474 /nfs/dbraw/zinc/86/34/74/1026863474.db2.gz PLKHXNDPKASRQW-OAQYLSRUSA-N 1 0 381.863 3.546 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c(O)cccc1Br)CC2 ZINC001140099694 1026877726 /nfs/dbraw/zinc/87/77/26/1026877726.db2.gz QHRAKTGFSRURNZ-LJQANCHMSA-N 1 0 393.325 3.688 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC(NC(=O)c4ccccc4F)CC3)c2c1 ZINC001140117191 1026898985 /nfs/dbraw/zinc/89/89/85/1026898985.db2.gz NFSKCGDIRYITEC-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c(F)c1 ZINC001140136868 1026910702 /nfs/dbraw/zinc/91/07/02/1026910702.db2.gz QIJCUFPPQYPMRB-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)c(F)c1 ZINC001140139030 1026913082 /nfs/dbraw/zinc/91/30/82/1026913082.db2.gz YXVYIGMNNAPNPR-UHFFFAOYSA-N 1 0 395.453 3.994 20 30 GHEDRO Cc1cc(N2CCN(Cc3ccc(C#N)cc3F)CC2)n(-c2ccccc2)n1 ZINC001140140079 1026913742 /nfs/dbraw/zinc/91/37/42/1026913742.db2.gz LICVURIVJCXWRP-UHFFFAOYSA-N 1 0 375.451 3.514 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(C)cc3C#N)cc2)CC1 ZINC001166738777 1027070507 /nfs/dbraw/zinc/07/05/07/1027070507.db2.gz JEONJMHUUUZUAA-UHFFFAOYSA-N 1 0 394.544 3.739 20 30 GHEDRO N#Cc1ccc(OC2CCN(Cn3ccc(-c4ccc(F)cn4)n3)CC2)c(F)c1 ZINC000840071522 1027138667 /nfs/dbraw/zinc/13/86/67/1027138667.db2.gz NWNHJGYNTOZYHM-UHFFFAOYSA-N 1 0 395.413 3.596 20 30 GHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001167023789 1027203199 /nfs/dbraw/zinc/20/31/99/1027203199.db2.gz KUFCPCNYXBQFPH-FQEVSTJZSA-N 1 0 399.535 3.939 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1=S ZINC000840134079 1027260785 /nfs/dbraw/zinc/26/07/85/1027260785.db2.gz KDGOHMAQKFMERX-GOSISDBHSA-N 1 0 397.592 3.889 20 30 GHEDRO N#C[C@@H]1CNCCN1Cc1ccc(OCCCCCCCCCCCO)cc1 ZINC001210120136 1027346573 /nfs/dbraw/zinc/34/65/73/1027346573.db2.gz ACZWDTYXBOZVEA-JOCHJYFZSA-N 1 0 387.568 3.866 20 30 GHEDRO Cc1ccc(C#N)cc1Nc1cc2cccc3c2c(c1)C(=O)N(CC[NH+](C)C)C3=O ZINC001210502080 1027536816 /nfs/dbraw/zinc/53/68/16/1027536816.db2.gz FBIWZFFKDJDLSW-UHFFFAOYSA-N 1 0 398.466 3.921 20 30 GHEDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cccc(OCc4ccccc4C#N)c3)O2)CO1 ZINC001203720895 1027554557 /nfs/dbraw/zinc/55/45/57/1027554557.db2.gz DMDVANQJYFMMMD-DQMJNTIXSA-N 1 0 392.499 3.953 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)c1 ZINC001203760827 1027583238 /nfs/dbraw/zinc/58/32/38/1027583238.db2.gz PHGXLOMHDDUEQS-IRLDBZIGSA-N 1 0 381.451 3.542 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2c(C)cccc2C#N)c1 ZINC001210646068 1027586397 /nfs/dbraw/zinc/58/63/97/1027586397.db2.gz NYGFAVOMLHBLLO-UHFFFAOYSA-N 1 0 399.560 3.967 20 30 GHEDRO N#CC1(CCOC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CCCCC1 ZINC000840520327 1027594305 /nfs/dbraw/zinc/59/43/05/1027594305.db2.gz QUKUGOPMJZWAAL-UHFFFAOYSA-N 1 0 384.520 3.912 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccc(F)cc4)C3)C2)c1 ZINC001203916849 1027707625 /nfs/dbraw/zinc/70/76/25/1027707625.db2.gz WUHBXHKHESLAII-HSZRJFAPSA-N 1 0 379.479 3.816 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cc(C(C)C)c3)C2)C1=O ZINC001276692486 1027731481 /nfs/dbraw/zinc/73/14/81/1027731481.db2.gz DFVBOUZCKTZVML-HXUWFJFHSA-N 1 0 389.337 3.630 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(C(F)(F)F)cc3Cl)CC2)C1=O ZINC001276429981 1027731704 /nfs/dbraw/zinc/73/17/04/1027731704.db2.gz ARLKDYXHPGCEAV-UHFFFAOYSA-N 1 0 384.829 3.807 20 30 GHEDRO Cc1ccc(Cl)c(-c2noc([C@@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)c1 ZINC001211379967 1027931031 /nfs/dbraw/zinc/93/10/31/1027931031.db2.gz SNAWLDUTIXCOLU-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000840956582 1027985590 /nfs/dbraw/zinc/98/55/90/1027985590.db2.gz YNXUZCYDUBKSEV-CQSZACIVSA-N 1 0 392.908 3.714 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000840972280 1028008636 /nfs/dbraw/zinc/00/86/36/1028008636.db2.gz JFXOOHIQQKPECS-XMSQKQJNSA-N 1 0 380.488 3.597 20 30 GHEDRO CCN(C(=O)c1ccc(C#N)cc1OC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001142069160 1028021582 /nfs/dbraw/zinc/02/15/82/1028021582.db2.gz NTPFQWPIPDCDME-FXAWDEMLSA-N 1 0 377.488 3.864 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC001214805556 1028918111 /nfs/dbraw/zinc/91/81/11/1028918111.db2.gz PHIPNTPYKHAABX-CYBMUJFWSA-N 1 0 386.348 3.659 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000841818474 1028965564 /nfs/dbraw/zinc/96/55/64/1028965564.db2.gz SLPMKTXUDNLRAU-IFMALSPDSA-N 1 0 394.519 3.990 20 30 GHEDRO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000841894075 1028992616 /nfs/dbraw/zinc/99/26/16/1028992616.db2.gz MMNVYTJWXCPSNU-OAQYLSRUSA-N 1 0 378.472 3.894 20 30 GHEDRO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000842164841 1029120528 /nfs/dbraw/zinc/12/05/28/1029120528.db2.gz DSIDTINXGVADHJ-BQFCYCMXSA-N 1 0 380.492 3.658 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC001461489790 1069573884 /nfs/dbraw/zinc/57/38/84/1069573884.db2.gz AUJJKMXYJFTHLJ-OLZOCXBDSA-N 1 0 377.337 3.606 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1nc(C2CCCC2)cs1 ZINC001142752084 1029379748 /nfs/dbraw/zinc/37/97/48/1029379748.db2.gz ZCBHSYIREPKEFL-UHFFFAOYSA-N 1 0 396.560 3.805 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC001461520832 1069589619 /nfs/dbraw/zinc/58/96/19/1069589619.db2.gz LSABTPKEZHECOE-UHFFFAOYSA-N 1 0 378.472 3.589 20 30 GHEDRO CON(C)C(=O)c1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(Cl)c1 ZINC001215897684 1029446959 /nfs/dbraw/zinc/44/69/59/1029446959.db2.gz JIWNSOUHEINJHF-UHFFFAOYSA-N 1 0 390.896 3.638 20 30 GHEDRO CCOC(=O)/C=C/c1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1 ZINC001216475354 1029655253 /nfs/dbraw/zinc/65/52/53/1029655253.db2.gz ILNDRRRHQVXLLH-IZZDOVSWSA-N 1 0 390.487 3.630 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001142915983 1029688536 /nfs/dbraw/zinc/68/85/36/1029688536.db2.gz LKFZXYOGGFNZHG-VGOFRKELSA-N 1 0 380.492 3.919 20 30 GHEDRO N#Cc1ccc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC000404188570 1029710397 /nfs/dbraw/zinc/71/03/97/1029710397.db2.gz LTHPQRPJBUVASC-YADHBBJMSA-N 1 0 381.907 3.687 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]12 ZINC001142929016 1029710498 /nfs/dbraw/zinc/71/04/98/1029710498.db2.gz SLTPMUNXCAHZQM-JWQCQUIFSA-N 1 0 398.510 3.804 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(OC4CCOCC4)c(C#N)c3)cc2)CC1 ZINC001216667921 1029723642 /nfs/dbraw/zinc/72/36/42/1029723642.db2.gz XSJHZJSACGJBCI-UHFFFAOYSA-N 1 0 392.503 3.611 20 30 GHEDRO COc1cc(C)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001143158195 1029873210 /nfs/dbraw/zinc/87/32/10/1029873210.db2.gz WQGGVNWMMJBFEX-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)C1=O ZINC001143169757 1029880087 /nfs/dbraw/zinc/88/00/87/1029880087.db2.gz QBFAAYSUYQXEGP-LJQANCHMSA-N 1 0 395.453 3.674 20 30 GHEDRO C#C[C@H](NC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccc(Cl)cc1 ZINC001216798824 1029941637 /nfs/dbraw/zinc/94/16/37/1029941637.db2.gz UPTMCJUODAQNOI-NRFANRHFSA-N 1 0 396.922 3.978 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1=O ZINC001143256103 1029951305 /nfs/dbraw/zinc/95/13/05/1029951305.db2.gz DHEDNXHUNGXMQR-GOSISDBHSA-N 1 0 386.389 3.725 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC001216954843 1030027372 /nfs/dbraw/zinc/02/73/72/1030027372.db2.gz OWOJBMSADLJFIT-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)c(OC)c3)C2)C1=O ZINC001143342979 1030051378 /nfs/dbraw/zinc/05/13/78/1030051378.db2.gz DKHKMVYIWDRAIU-LJQANCHMSA-N 1 0 382.426 3.715 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4cc(Cl)cc(C#N)c4)n3)c2)CC1 ZINC001216985055 1030053539 /nfs/dbraw/zinc/05/35/39/1030053539.db2.gz DOWIKBMIVWUSGU-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO N#Cc1ccc([O-])c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591776 1030217308 /nfs/dbraw/zinc/21/73/08/1030217308.db2.gz YCIIVVRDUCYFKJ-QFIPXVFZSA-N 1 0 391.515 3.567 20 30 GHEDRO CCCCCCCCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001223274455 1030502191 /nfs/dbraw/zinc/50/21/91/1030502191.db2.gz KFSLGBBFCPGCMC-UHFFFAOYSA-N 1 0 380.621 3.937 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)OC1=Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC001223610994 1030659334 /nfs/dbraw/zinc/65/93/34/1030659334.db2.gz CFENBBGOKAVJQS-QGZVFWFLSA-O 1 0 377.468 3.720 20 30 GHEDRO C#C[C@@H](CCCCCCCCCCC)OCCOCCOCCOCC[NH3+] ZINC001217928188 1030674000 /nfs/dbraw/zinc/67/40/00/1030674000.db2.gz UIWXYUKTEXTKKI-QFIPXVFZSA-N 1 0 385.589 3.934 20 30 GHEDRO C#C[C@@H](COc1cccc(C(F)(F)F)c1)OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217928093 1030674295 /nfs/dbraw/zinc/67/42/95/1030674295.db2.gz NGXARQCMOBTGQR-PKOBYXMFSA-N 1 0 397.437 3.651 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CCCC[NH2+]C2)c1 ZINC001217974032 1030698979 /nfs/dbraw/zinc/69/89/79/1030698979.db2.gz MLSGPOSFAJPBRQ-HFTQHKIXSA-N 1 0 383.444 3.523 20 30 GHEDRO COc1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001217983140 1030704299 /nfs/dbraw/zinc/70/42/99/1030704299.db2.gz VLNBJTAAGODNLU-HQIDXTQPSA-N 1 0 385.435 3.766 20 30 GHEDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 ZINC001218035332 1030735432 /nfs/dbraw/zinc/73/54/32/1030735432.db2.gz KFAXFFJHUHIJEK-BGUFOLLASA-N 1 0 391.467 3.634 20 30 GHEDRO COc1cc(O[C@H]2CC[NH2+][C@@H](C)C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218053959 1030743388 /nfs/dbraw/zinc/74/33/88/1030743388.db2.gz VNOGCOBHDKKKRO-MYHJQVBBSA-N 1 0 395.455 3.579 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001223765853 1030744977 /nfs/dbraw/zinc/74/49/77/1030744977.db2.gz UMWRSEFLDCPUCM-SFHVURJKSA-N 1 0 384.863 3.789 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CC[C@]34CC[NH2+]C4)c3ccccc23)ccc1F ZINC001218120572 1030783498 /nfs/dbraw/zinc/78/34/98/1030783498.db2.gz UJQUJPBKCKFTAM-FYYLOGMGSA-N 1 0 388.446 3.752 20 30 GHEDRO COc1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218122671 1030784547 /nfs/dbraw/zinc/78/45/47/1030784547.db2.gz HRSZBZVLHJHQCR-CURPNTRBSA-N 1 0 379.456 3.818 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218123222 1030785241 /nfs/dbraw/zinc/78/52/41/1030785241.db2.gz MGVXEKUGYPGEHH-GBXCKJPGSA-N 1 0 387.483 3.635 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218123223 1030785383 /nfs/dbraw/zinc/78/53/83/1030785383.db2.gz MGVXEKUGYPGEHH-HYBUGGRVSA-N 1 0 387.483 3.635 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c(O)c1 ZINC001218135396 1030790264 /nfs/dbraw/zinc/79/02/64/1030790264.db2.gz VWJWNFKHHUGPDQ-BCDXTJNWSA-N 1 0 391.508 3.992 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)c(C#N)c2)nc1C ZINC001218136560 1030792045 /nfs/dbraw/zinc/79/20/45/1030792045.db2.gz VRHFVINGNIIQOI-BJWYYQGGSA-N 1 0 397.500 3.544 20 30 GHEDRO Cc1cc(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218141379 1030793695 /nfs/dbraw/zinc/79/36/95/1030793695.db2.gz HDLGYALAMNYBOM-SXJYFGSZSA-N 1 0 379.456 3.740 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@@H](C)C2C[NH2+]C2)cc1 ZINC001218198863 1030820071 /nfs/dbraw/zinc/82/00/71/1030820071.db2.gz TZOFSHIEYDADRK-VSGCLNPGSA-N 1 0 397.471 3.595 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC001218205341 1030828906 /nfs/dbraw/zinc/82/89/06/1030828906.db2.gz FHZKEYIYBARMQC-NRFANRHFSA-N 1 0 379.435 3.534 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(/C=C/C(=O)OCCc2ccccc2)ccc1OC ZINC001218207710 1030829582 /nfs/dbraw/zinc/82/95/82/1030829582.db2.gz KMBVIFWDJBAWHZ-BDTMADQZSA-N 1 0 393.483 3.791 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(Cl)cc(Cl)cc1I ZINC001218210421 1030833191 /nfs/dbraw/zinc/83/31/91/1030833191.db2.gz BWKQSXMCZIXEEL-NSHDSACASA-N 1 0 384.044 3.895 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(OC)cc(CCc2ccc(O)c(OC)c2)cc1OC ZINC001218210879 1030833238 /nfs/dbraw/zinc/83/32/38/1030833238.db2.gz LPTCETQUPRZXFK-QFIPXVFZSA-N 1 0 399.487 3.500 20 30 GHEDRO C[Si](C)(C)C#C[C@@H](Oc1ccc(C(=O)N2CC[NH2+]CC2)cc1)c1ccccc1 ZINC001218215877 1030836519 /nfs/dbraw/zinc/83/65/19/1030836519.db2.gz WVFLQPGNLHICDZ-JOCHJYFZSA-N 1 0 392.575 3.733 20 30 GHEDRO Cc1cc(O[C@@H]2CCC23C[NH2+]C3)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218239490 1030845716 /nfs/dbraw/zinc/84/57/16/1030845716.db2.gz GYPWOGZUORSWEB-WTCGPSRQSA-N 1 0 379.456 3.742 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(OC2CC3(CC[NH2+]3)C2)c1 ZINC001218245843 1030850128 /nfs/dbraw/zinc/85/01/28/1030850128.db2.gz HWLBAJNNTYEXML-CMDGGOBGSA-N 1 0 379.456 3.873 20 30 GHEDRO COc1cc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218248424 1030851646 /nfs/dbraw/zinc/85/16/46/1030851646.db2.gz FOYOUPXXHVCJRZ-JJCYXZRWSA-N 1 0 379.456 3.816 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001218401904 1030921361 /nfs/dbraw/zinc/92/13/61/1030921361.db2.gz SHDWBOREAHVUKK-KITMXDFVSA-N 1 0 383.444 3.522 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218404934 1030923033 /nfs/dbraw/zinc/92/30/33/1030923033.db2.gz PRGAWLGLTWCJQQ-ALXSXVSUSA-N 1 0 391.515 3.841 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[C@H](C)[NH2+]C2)c1OC ZINC001218403649 1030923363 /nfs/dbraw/zinc/92/33/63/1030923363.db2.gz YBFFRTXIYURJHP-MFLSKIGUSA-N 1 0 397.471 3.825 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[NH2+]C[C@H]3C)c(C#N)c2)nc1C ZINC001218412393 1030928862 /nfs/dbraw/zinc/92/88/62/1030928862.db2.gz FGSORUZGTZVEIJ-MLGOLLRUSA-N 1 0 385.489 3.544 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(F)cc(I)cc1F ZINC001218455342 1030943233 /nfs/dbraw/zinc/94/32/33/1030943233.db2.gz JCZYWNWFPAPMRP-CHWSQXEVSA-N 1 0 379.188 3.645 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(F)cn(Cc2ccccc2)c1C(=O)OCC ZINC001218457699 1030944506 /nfs/dbraw/zinc/94/45/06/1030944506.db2.gz ZZLPOPUBODRKJR-RTBURBONSA-N 1 0 386.467 3.928 20 30 GHEDRO N#Cc1c(NC(=O)[C@H](O)c2ccccc2C2CCCCC2)sc2c1CC[NH2+]C2 ZINC001218552485 1030984446 /nfs/dbraw/zinc/98/44/46/1030984446.db2.gz HBUFTHJUELZIGP-HXUWFJFHSA-N 1 0 395.528 3.985 20 30 GHEDRO Cc1cc(Oc2ccccc2)ncc1NC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N ZINC001218682668 1031033947 /nfs/dbraw/zinc/03/39/47/1031033947.db2.gz QSRIZSCUNAVKQR-IBGZPJMESA-N 1 0 386.455 3.953 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC001461733989 1069710075 /nfs/dbraw/zinc/71/00/75/1069710075.db2.gz BJNXKJKMWFQUIR-UHFFFAOYSA-N 1 0 387.233 3.598 20 30 GHEDRO Cc1cc(OC(F)F)ccc1NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1 ZINC001218856756 1031119171 /nfs/dbraw/zinc/11/91/71/1031119171.db2.gz VFACFIMRWHGSSY-KUHUBIRLSA-N 1 0 385.414 3.627 20 30 GHEDRO CCOC(=O)[C@@H](C#C[Si](C)(C)C)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224825988 1031138823 /nfs/dbraw/zinc/13/88/23/1031138823.db2.gz NIJIYTFQDMKYFJ-LEWJYISDSA-N 1 0 387.596 3.728 20 30 GHEDRO C/C(=C\C(=O)Nc1cccc2c1C[NH2+]C2)C(=O)c1ccc(Br)cc1 ZINC001218994573 1031201193 /nfs/dbraw/zinc/20/11/93/1031201193.db2.gz MBTVWOKXACCJOV-FMIVXFBMSA-N 1 0 385.261 3.820 20 30 GHEDRO CC(C)[C@@H](CO[C@@H]1CCN(Cc2ccccc2C#N)C1)NC(=O)OC(C)(C)C ZINC001225192662 1031303910 /nfs/dbraw/zinc/30/39/10/1031303910.db2.gz XHXPXHQDRISVKB-WOJBJXKFSA-N 1 0 387.524 3.698 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC001219366886 1031381131 /nfs/dbraw/zinc/38/11/31/1031381131.db2.gz OHAWXTYNNPHCGE-JKSUJKDBSA-N 1 0 379.464 3.610 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OC)c(C#N)c1)Cc1ccccc1 ZINC001219840237 1031650110 /nfs/dbraw/zinc/65/01/10/1031650110.db2.gz SELPXOPALZFVRC-HXUWFJFHSA-N 1 0 380.492 3.641 20 30 GHEDRO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC001219997059 1031736758 /nfs/dbraw/zinc/73/67/58/1031736758.db2.gz KICLFARTWZRWQZ-XJCJFNGJSA-N 1 0 377.532 3.582 20 30 GHEDRO CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1)c1ccccc1 ZINC001220031624 1031751507 /nfs/dbraw/zinc/75/15/07/1031751507.db2.gz YNPKUVSCNVYTLS-YSZBQJHXSA-N 1 0 375.516 3.982 20 30 GHEDRO COc1ncc(NC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001220042066 1031753839 /nfs/dbraw/zinc/75/38/39/1031753839.db2.gz JLIHBNBXBPQHHE-LJQANCHMSA-N 1 0 393.491 3.528 20 30 GHEDRO Cn1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc2ccc(F)cc21 ZINC001153850191 1031769983 /nfs/dbraw/zinc/76/99/83/1031769983.db2.gz JAEKSTKXJRRLEF-UHFFFAOYSA-N 1 0 390.462 3.606 20 30 GHEDRO Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001220075227 1031772137 /nfs/dbraw/zinc/77/21/37/1031772137.db2.gz DNHIHZJZMYOOAF-MSOLQXFVSA-N 1 0 388.298 3.793 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)cc2)CC1 ZINC001220098335 1031784384 /nfs/dbraw/zinc/78/43/84/1031784384.db2.gz QICPWELAOYYJOX-QGZVFWFLSA-N 1 0 382.430 3.562 20 30 GHEDRO N#CC1(NC(=O)c2c[nH]c3ccc(F)cc23)CC[NH+](Cc2ccccc2)CC1 ZINC001154138272 1031946937 /nfs/dbraw/zinc/94/69/37/1031946937.db2.gz QBUCAFHEZFMVAU-UHFFFAOYSA-N 1 0 376.435 3.595 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc(C3CN([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC001205252731 1033326358 /nfs/dbraw/zinc/32/63/58/1033326358.db2.gz YSHYJILOHOBOBJ-IBGZPJMESA-N 1 0 384.524 3.847 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001229292357 1033395019 /nfs/dbraw/zinc/39/50/19/1033395019.db2.gz ROQOOJAHSPZCII-HXUWFJFHSA-N 1 0 379.907 3.541 20 30 GHEDRO C[N@@H+]1CCC[C@H](Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)CC1 ZINC001229379426 1033447798 /nfs/dbraw/zinc/44/77/98/1033447798.db2.gz FFYVYFKDNVJQGN-PTLIRMEESA-N 1 0 379.504 3.793 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001229383333 1033451027 /nfs/dbraw/zinc/45/10/27/1033451027.db2.gz GYRKDZGBRATLKR-GPBZJJJTSA-N 1 0 391.515 3.793 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001157390796 1033565968 /nfs/dbraw/zinc/56/59/68/1033565968.db2.gz TWXZXVKJSFBEOM-HXUWFJFHSA-N 1 0 384.911 3.823 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC001229618649 1033595666 /nfs/dbraw/zinc/59/56/66/1033595666.db2.gz BSGBZKSPMRABCI-OAQYLSRUSA-N 1 0 387.568 3.600 20 30 GHEDRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c(C#N)cc1N(C)C ZINC001205941675 1033645841 /nfs/dbraw/zinc/64/58/41/1033645841.db2.gz CXTDUTDQIJTECC-LJQANCHMSA-N 1 0 383.540 3.851 20 30 GHEDRO O=C1c2ccccc2C(Nc2ccc(OC3CC[NH2+]CC3)nn2)=C1c1ccccc1 ZINC001157620400 1033696722 /nfs/dbraw/zinc/69/67/22/1033696722.db2.gz HOJJCGIBIKZHHG-UHFFFAOYSA-N 1 0 398.466 3.784 20 30 GHEDRO N#Cc1cnc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c(F)c1 ZINC001157665944 1033710114 /nfs/dbraw/zinc/71/01/14/1033710114.db2.gz RDMMWQWLCDCBAM-UHFFFAOYSA-N 1 0 394.494 3.742 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)C[C@H]2C1 ZINC001157693000 1033725581 /nfs/dbraw/zinc/72/55/81/1033725581.db2.gz URGUWFIPNJSPFU-CALCHBBNSA-N 1 0 379.533 3.515 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@](F)(C[NH3+])C3)cnc2Cl)cc1 ZINC001157817046 1033780335 /nfs/dbraw/zinc/78/03/35/1033780335.db2.gz PGWMLSNEUQKUOO-QGZVFWFLSA-N 1 0 380.801 3.696 20 30 GHEDRO CC(C)(C)CN(c1ccc([C@@H](C#N)c2ccccc2F)nn1)C1CC[NH2+]CC1 ZINC001157891749 1033812894 /nfs/dbraw/zinc/81/28/94/1033812894.db2.gz PEQXFASAQDZHOU-SFHVURJKSA-N 1 0 381.499 3.876 20 30 GHEDRO Cc1cccc(C2(Cc3nc(-c4cc(C#N)ccc4F)no3)CC[NH2+]CC2)c1 ZINC001206391493 1033825070 /nfs/dbraw/zinc/82/50/70/1033825070.db2.gz RVTLKFOCEJCNLK-UHFFFAOYSA-N 1 0 376.435 3.920 20 30 GHEDRO COc1cccc(N(c2nc(C#N)c(Cl)cc2Cl)C2CC[NH2+]CC2)n1 ZINC001158061176 1033897044 /nfs/dbraw/zinc/89/70/44/1033897044.db2.gz YBHBTJRSPMHIBG-UHFFFAOYSA-N 1 0 378.263 3.554 20 30 GHEDRO COc1cc(C#N)nc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001158086958 1033905905 /nfs/dbraw/zinc/90/59/05/1033905905.db2.gz BHMRCEVJKPWILY-UHFFFAOYSA-N 1 0 390.409 3.739 20 30 GHEDRO N#Cc1c(Cl)ncnc1N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001158089079 1033909608 /nfs/dbraw/zinc/90/96/08/1033909608.db2.gz VSFJSCGOYGNKCH-UHFFFAOYSA-N 1 0 395.816 3.779 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)nc1N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158167161 1033948906 /nfs/dbraw/zinc/94/89/06/1033948906.db2.gz RLZSCPSSWFVPNC-SHTZXODSSA-N 1 0 376.291 3.932 20 30 GHEDRO C[C@H](C[N+](C)(C)C)Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001230259414 1033967876 /nfs/dbraw/zinc/96/78/76/1033967876.db2.gz FBGUDVILGFLUQA-OAHLLOKOSA-N 1 0 379.459 3.705 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C(F)(F)c1ccc(Cl)nc1C#N ZINC001158292700 1034009249 /nfs/dbraw/zinc/00/92/49/1034009249.db2.gz KUFCYDSXNCBXJD-UHFFFAOYSA-N 1 0 390.821 3.977 20 30 GHEDRO N#Cc1c(Cl)c(F)cc(C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1Cl ZINC001158335490 1034029279 /nfs/dbraw/zinc/02/92/79/1034029279.db2.gz VUPZRTPDGHFAOX-GOEBONIOSA-N 1 0 390.245 3.716 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CC[N@H+](C)CC23CCCC3)c1C#N ZINC001158410363 1034065431 /nfs/dbraw/zinc/06/54/31/1034065431.db2.gz RCHXRXBUBOXBKF-UHFFFAOYSA-N 1 0 379.533 3.802 20 30 GHEDRO N#Cc1c(N[C@@H]2CCc3c2cccc3OC(F)(F)F)ncc2c1CCC[NH2+]C2 ZINC001158461399 1034089262 /nfs/dbraw/zinc/08/92/62/1034089262.db2.gz LVCKUBBHXKYECC-QGZVFWFLSA-N 1 0 388.393 3.987 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N ZINC001207104543 1034096162 /nfs/dbraw/zinc/09/61/62/1034096162.db2.gz UECIOXACESOUAJ-OALUTQOASA-N 1 0 386.540 3.756 20 30 GHEDRO Cc1ccc2nc(N3CC[NH+](Cc4cccc(N)c4)CC3)c(C#N)c(Cl)c2c1 ZINC001158484950 1034103800 /nfs/dbraw/zinc/10/38/00/1034103800.db2.gz DVAHMASSGGZVNQ-UHFFFAOYSA-N 1 0 391.906 3.973 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c(-c2cnn(C)c2)c1 ZINC001207185244 1034154872 /nfs/dbraw/zinc/15/48/72/1034154872.db2.gz OMZGPVHMAPZWSZ-UHFFFAOYSA-N 1 0 389.478 3.729 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)cc(Br)c1)CC2 ZINC001276511400 1034164644 /nfs/dbraw/zinc/16/46/44/1034164644.db2.gz RSZFCCDGRVCZND-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO C=CCN(CC[NH+]1CCC(c2nc3ccc(C)cn3n2)CC1)C(=O)OC(C)(C)C ZINC001207201478 1034170579 /nfs/dbraw/zinc/17/05/79/1034170579.db2.gz YHIUBZFMYUPQTK-UHFFFAOYSA-N 1 0 399.539 3.640 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001207214723 1034181909 /nfs/dbraw/zinc/18/19/09/1034181909.db2.gz PLKGTGPNUJTYEF-ICSRJNTNSA-N 1 0 385.508 3.658 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCCc3ccc(C[NH3+])nc32)cc1 ZINC001158656226 1034217997 /nfs/dbraw/zinc/21/79/97/1034217997.db2.gz WHMZPSDHCJQQOB-UHFFFAOYSA-N 1 0 392.850 3.732 20 30 GHEDRO N#Cc1ccsc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286812 1034237103 /nfs/dbraw/zinc/23/71/03/1034237103.db2.gz OBVIEPMPWOXDOQ-UHFFFAOYSA-N 1 0 398.532 3.813 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCCc3ccc(Br)cc3)C2)C1=O ZINC001207316096 1034263268 /nfs/dbraw/zinc/26/32/68/1034263268.db2.gz NRWPFJBMNIMGCM-FQEVSTJZSA-N 1 0 391.353 3.882 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Br)cc3C(C)C)C2)C1=O ZINC001277471667 1034291365 /nfs/dbraw/zinc/29/13/65/1034291365.db2.gz AZSVQOFLGPOOIE-FQEVSTJZSA-N 1 0 389.337 3.630 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnc(Br)c(C)c3)CC2)C1=O ZINC001277473651 1034302182 /nfs/dbraw/zinc/30/21/82/1034302182.db2.gz FRGXXUPQHXLTBZ-IBGZPJMESA-N 1 0 392.341 3.543 20 30 GHEDRO COC(=O)C[C@H](C)c1cccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001231012934 1034342239 /nfs/dbraw/zinc/34/22/39/1034342239.db2.gz RUPYQWOULIPLFV-JTSKRJEESA-N 1 0 378.472 3.878 20 30 GHEDRO CC(C)(O)CCCC1=CC[C@@H](C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001207407122 1034346633 /nfs/dbraw/zinc/34/66/33/1034346633.db2.gz LJUZODDDUABNAK-HXUWFJFHSA-N 1 0 382.552 3.743 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001231263674 1034491155 /nfs/dbraw/zinc/49/11/55/1034491155.db2.gz SBDMGGDVXZDDFL-CEMLEFRQSA-N 1 0 380.536 3.875 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(C)cc(Cl)nc3Cl)C2)C1=O ZINC001277511118 1034551778 /nfs/dbraw/zinc/55/17/78/1034551778.db2.gz WHXCDCKPVYWECG-IBGZPJMESA-N 1 0 396.318 3.614 20 30 GHEDRO Cc1c(F)ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1F ZINC001231480209 1034624636 /nfs/dbraw/zinc/62/46/36/1034624636.db2.gz WHDXZOXIKMUMMQ-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO N#Cc1cc(F)cnc1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001159515660 1034631532 /nfs/dbraw/zinc/63/15/32/1034631532.db2.gz PNEBJVJUOKNYON-QFIPXVFZSA-N 1 0 390.462 3.568 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CCC[C@@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001207899257 1034644325 /nfs/dbraw/zinc/64/43/25/1034644325.db2.gz SJQCTKSDUHBUPV-IFMALSPDSA-N 1 0 380.573 3.679 20 30 GHEDRO Cc1ccc(I)c(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001159630219 1034696692 /nfs/dbraw/zinc/69/66/92/1034696692.db2.gz PYYUZXYZGLXSNV-UHFFFAOYSA-N 1 0 389.240 3.902 20 30 GHEDRO C#C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001159634901 1034698916 /nfs/dbraw/zinc/69/89/16/1034698916.db2.gz SZCZVTHQCUSDLP-ROUUACIJSA-N 1 0 377.326 3.750 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001159743037 1034731473 /nfs/dbraw/zinc/73/14/73/1034731473.db2.gz RRPSFPGFSCXXCH-UHFFFAOYSA-N 1 0 378.476 3.667 20 30 GHEDRO CCCCCCC/C=C/CN1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001208118311 1034745768 /nfs/dbraw/zinc/74/57/68/1034745768.db2.gz FJNNNIIVYJAXRJ-CMDGGOBGSA-N 1 0 386.584 3.962 20 30 GHEDRO C=CCOC[C@H]1C[N@@H+](CC[C@H](C)c2ccc(C)o2)Cc2nnn(CC3CC3)c21 ZINC001208157273 1034762203 /nfs/dbraw/zinc/76/22/03/1034762203.db2.gz UILNZIMKGJIYDQ-QFBILLFUSA-N 1 0 384.524 3.885 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)CC1 ZINC001208171685 1034771228 /nfs/dbraw/zinc/77/12/28/1034771228.db2.gz WZVQILNRHUEVAO-LJQANCHMSA-N 1 0 386.515 3.590 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001231616656 1034773881 /nfs/dbraw/zinc/77/38/81/1034773881.db2.gz HLQVUHHNBDVCHE-UHFFFAOYSA-N 1 0 385.508 3.932 20 30 GHEDRO C=C(C)[C@@H]1CC=C(CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)CC1 ZINC001208174961 1034773965 /nfs/dbraw/zinc/77/39/65/1034773965.db2.gz LNWMHNXTLLIVBO-LUKWVAJMSA-N 1 0 383.584 3.754 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001208177733 1034777132 /nfs/dbraw/zinc/77/71/32/1034777132.db2.gz YCINGBDGWWUMPQ-GGAORHGYSA-N 1 0 382.552 3.698 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001231621648 1034779104 /nfs/dbraw/zinc/77/91/04/1034779104.db2.gz GMMORAPOCOOVCX-UHFFFAOYSA-N 1 0 378.520 3.924 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC001231623141 1034783692 /nfs/dbraw/zinc/78/36/92/1034783692.db2.gz VMSDZZWNLBZLOF-RPBOFIJWSA-N 1 0 392.543 3.769 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC001231657656 1034814489 /nfs/dbraw/zinc/81/44/89/1034814489.db2.gz SFBUAVCVXWOSGY-RUZDIDTESA-N 1 0 381.479 3.799 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)c1 ZINC001231657474 1034814617 /nfs/dbraw/zinc/81/46/17/1034814617.db2.gz QRTBBPKMHIHSSU-NRFANRHFSA-N 1 0 385.433 3.940 20 30 GHEDRO CCOC(=O)c1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ncc1C ZINC001160100934 1034860946 /nfs/dbraw/zinc/86/09/46/1034860946.db2.gz WIILCCSOLCMRTD-UHFFFAOYSA-N 1 0 378.476 3.537 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160111987 1034865652 /nfs/dbraw/zinc/86/56/52/1034865652.db2.gz GMXVHRWOUXLMOI-UHFFFAOYSA-N 1 0 375.501 3.703 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(OC)c(C#N)c2)[NH+]2CCCC2)c1 ZINC001208405831 1034885329 /nfs/dbraw/zinc/88/53/29/1034885329.db2.gz LZRDUEOAESDIMZ-HXUWFJFHSA-N 1 0 394.475 3.534 20 30 GHEDRO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208405875 1034885757 /nfs/dbraw/zinc/88/57/57/1034885757.db2.gz NCRRQPJQXHBKOF-SJLPKXTDSA-N 1 0 378.476 3.599 20 30 GHEDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC001231816804 1034926374 /nfs/dbraw/zinc/92/63/74/1034926374.db2.gz SUCMDOPZPJCVPV-UHFFFAOYSA-N 1 0 379.504 3.992 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)cc1 ZINC001231817355 1034926424 /nfs/dbraw/zinc/92/64/24/1034926424.db2.gz GJQNLTPFMOFHJI-UHFFFAOYSA-N 1 0 393.413 3.818 20 30 GHEDRO C#Cc1cccc(N(c2ncnc3cc(OC)c(N)cc32)C2=CCC[NH2+]CC2)c1 ZINC001160280088 1034927216 /nfs/dbraw/zinc/92/72/16/1034927216.db2.gz VDKATXQDAYESTH-UHFFFAOYSA-N 1 0 385.471 3.607 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)cc1 ZINC001231820538 1034928077 /nfs/dbraw/zinc/92/80/77/1034928077.db2.gz NXIHKHBRCKMHKX-FQEVSTJZSA-N 1 0 386.540 3.916 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)cc1 ZINC001231820191 1034928092 /nfs/dbraw/zinc/92/80/92/1034928092.db2.gz WQKHVGSBBDTUIW-ISKFKSNPSA-N 1 0 397.563 3.692 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(N3Cc4ccccc4C3=O)CC2)cc1 ZINC001231822023 1034929095 /nfs/dbraw/zinc/92/90/95/1034929095.db2.gz RRSPRHQZBFJYRS-UHFFFAOYSA-N 1 0 388.515 3.657 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccnc3OCCC)CC2)C1 ZINC001231859404 1034948184 /nfs/dbraw/zinc/94/81/84/1034948184.db2.gz CJEGMAUMZBBDOP-UHFFFAOYSA-N 1 0 387.524 3.871 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(Nc2ccc(C[NH3+])cc2C(F)(F)F)n1 ZINC001160417378 1034967631 /nfs/dbraw/zinc/96/76/31/1034967631.db2.gz CMBVTYZIUVFYEN-CGOBSMCZSA-N 1 0 391.806 3.881 20 30 GHEDRO Cc1cc(F)ncc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001231985405 1035024304 /nfs/dbraw/zinc/02/43/04/1035024304.db2.gz ZRPPPSJZVYHEJI-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO COc1cc(C(F)(F)N(Cc2ccccc2)C[C@H](C)C[NH3+])c(C#N)c(Cl)n1 ZINC001160665411 1035029192 /nfs/dbraw/zinc/02/91/92/1035029192.db2.gz KUDDSIZPGRTSSY-CYBMUJFWSA-N 1 0 394.853 3.762 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208824211 1035042602 /nfs/dbraw/zinc/04/26/02/1035042602.db2.gz CFQZEHDAYSRRGS-UHFFFAOYSA-N 1 0 379.298 3.551 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](CCCc3cccc(Br)c3)CC2)nc1 ZINC001208825396 1035043717 /nfs/dbraw/zinc/04/37/17/1035043717.db2.gz FIHWOHIFWDZLPN-UHFFFAOYSA-N 1 0 399.336 3.861 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC001208861169 1035063775 /nfs/dbraw/zinc/06/37/75/1035063775.db2.gz FCIYELUEYJCQRF-NRFANRHFSA-N 1 0 397.473 3.519 20 30 GHEDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CCCc2ccc(C#N)cc2)cs1 ZINC001208859895 1035063989 /nfs/dbraw/zinc/06/39/89/1035063989.db2.gz VOAOBCQYMNPPMW-NHCUHLMSSA-N 1 0 394.544 3.521 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cc1 ZINC001208861240 1035064160 /nfs/dbraw/zinc/06/41/60/1035064160.db2.gz GJCNDMIPEMADEO-RBZQAINGSA-N 1 0 391.515 3.582 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC001208861929 1035064433 /nfs/dbraw/zinc/06/44/33/1035064433.db2.gz RVEMGLQXSVTBTN-RUZDIDTESA-N 1 0 385.511 3.891 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc4ccncc4[nH]3)C[C@@H]2c2ccccc2)C1=O ZINC001232090272 1035088751 /nfs/dbraw/zinc/08/87/51/1035088751.db2.gz WCZAEVTUNMXIBF-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO COC[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)Cc2cn(CC3CCCC3)nc21 ZINC001208925495 1035091910 /nfs/dbraw/zinc/09/19/10/1035091910.db2.gz DQGAERNMECPDMZ-QFIPXVFZSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1ccc(N2CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC001208940723 1035109136 /nfs/dbraw/zinc/10/91/36/1035109136.db2.gz WFIXNTHUZKMAFZ-JOCHJYFZSA-N 1 0 392.522 3.732 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cnc(-c4cccnc4)o3)C2)CC1 ZINC001232130814 1035113537 /nfs/dbraw/zinc/11/35/37/1035113537.db2.gz JUDXDBDFQMRZJN-UHFFFAOYSA-N 1 0 396.491 3.737 20 30 GHEDRO CC(C)(C)C(=O)C[NH+]1CCC(Nc2nc(-c3ccncc3)ccc2C#N)CC1 ZINC001161125655 1035150652 /nfs/dbraw/zinc/15/06/52/1035150652.db2.gz UWQNWPJVWQLDNP-UHFFFAOYSA-N 1 0 377.492 3.507 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161246656 1035191374 /nfs/dbraw/zinc/19/13/74/1035191374.db2.gz WTLWVQYIWJNBJQ-UHFFFAOYSA-N 1 0 391.853 3.553 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCc4cc(F)c(F)cc4F)C3)CC2=O)c1 ZINC001209249826 1035220800 /nfs/dbraw/zinc/22/08/00/1035220800.db2.gz HOWAVCWYUMNRND-JOCHJYFZSA-N 1 0 399.416 3.647 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCc4cc(F)c(F)cc4F)C3)CC2=O)c1 ZINC001209249827 1035221209 /nfs/dbraw/zinc/22/12/09/1035221209.db2.gz HOWAVCWYUMNRND-QFIPXVFZSA-N 1 0 399.416 3.647 20 30 GHEDRO CCN(C(=O)N[C@H](CC#N)C(F)(F)F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001209330407 1035243535 /nfs/dbraw/zinc/24/35/35/1035243535.db2.gz QTNPHBFWFRNBES-USXIJHARSA-N 1 0 382.430 3.698 20 30 GHEDRO N#CC[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001209331127 1035243636 /nfs/dbraw/zinc/24/36/36/1035243636.db2.gz ZKRJEQYCTFJFHN-PKOBYXMFSA-N 1 0 394.441 3.529 20 30 GHEDRO C=CCCCCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCc3cccs3)[C@H]2C1 ZINC001209424059 1035271971 /nfs/dbraw/zinc/27/19/71/1035271971.db2.gz ITQXMDGXQAXRDD-VAMGGRTRSA-N 1 0 376.566 3.838 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(CN(C(=O)CN(C)C)c3ccc(C)cc32)CC1 ZINC001209424338 1035272076 /nfs/dbraw/zinc/27/20/76/1035272076.db2.gz PTKFFVMQPFVXTQ-UHFFFAOYSA-N 1 0 383.580 3.983 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@@H]2C1 ZINC001209435166 1035274041 /nfs/dbraw/zinc/27/40/41/1035274041.db2.gz FFTARJLWXPVJIH-BHIFYINESA-N 1 0 385.552 3.561 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2C(=O)N(Cc3csc(C)n3)CCO[C@H]2C1 ZINC001209437722 1035274404 /nfs/dbraw/zinc/27/44/04/1035274404.db2.gz RPYDMQUSNZUSIS-UXHICEINSA-N 1 0 391.581 3.637 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)C1=O ZINC001276656029 1035325574 /nfs/dbraw/zinc/32/55/74/1035325574.db2.gz DSEITNMEUTWESC-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(-c4ccc(F)cc4)cn3)no2)c1 ZINC001248154818 1035581557 /nfs/dbraw/zinc/58/15/57/1035581557.db2.gz KGNQWDUNMKTFBG-HXUWFJFHSA-N 1 0 399.429 3.922 20 30 GHEDRO Cc1cc(Br)cc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)c1 ZINC001248156076 1035583054 /nfs/dbraw/zinc/58/30/54/1035583054.db2.gz DASLSPITRXFCBE-KRWDZBQOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(-c4ccc(F)cc4)cn3)no2)cc1 ZINC001248157180 1035583937 /nfs/dbraw/zinc/58/39/37/1035583937.db2.gz IKHJXFMIGNGAET-HXUWFJFHSA-N 1 0 399.429 3.922 20 30 GHEDRO CCCCOc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1 ZINC001248157286 1035584322 /nfs/dbraw/zinc/58/43/22/1035584322.db2.gz IYGFLIKJGIFHSU-LJQANCHMSA-N 1 0 376.460 3.900 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC001248158885 1035585583 /nfs/dbraw/zinc/58/55/83/1035585583.db2.gz HDJGHBUIZCIRGZ-FQEVSTJZSA-N 1 0 387.487 3.711 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)n2)c1 ZINC001248159800 1035587574 /nfs/dbraw/zinc/58/75/74/1035587574.db2.gz UHEWENNPDGZRKO-INIZCTEOSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccccc2OC(F)(F)F)no1 ZINC001248178976 1035606940 /nfs/dbraw/zinc/60/69/40/1035606940.db2.gz BJMLEXKUEMYFNN-AWEZNQCLSA-N 1 0 388.349 3.619 20 30 GHEDRO Cc1ccc(Br)cc1-c1noc(C[C@@H]([NH3+])Cc2ccccc2C#N)n1 ZINC001248179068 1035607026 /nfs/dbraw/zinc/60/70/26/1035607026.db2.gz DHPRHBJOWFUWNY-INIZCTEOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001248181348 1035609094 /nfs/dbraw/zinc/60/90/94/1035609094.db2.gz VRBJSDMZXWYXLE-NRFANRHFSA-N 1 0 381.439 3.783 20 30 GHEDRO CCCCOc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)cc1 ZINC001248181382 1035609268 /nfs/dbraw/zinc/60/92/68/1035609268.db2.gz XDAWQAZYTDUHQX-IBGZPJMESA-N 1 0 376.460 3.900 20 30 GHEDRO CSc1cc(F)c(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)cc1F ZINC001248181130 1035609560 /nfs/dbraw/zinc/60/95/60/1035609560.db2.gz QCOZMOSZMGJMCZ-ZDUSSCGKSA-N 1 0 386.427 3.721 20 30 GHEDRO C[NH+]1CCN(CCNc2ccc(-c3ccc(-c4ccc(C#N)o4)cc3)cn2)CC1 ZINC001241560909 1035623990 /nfs/dbraw/zinc/62/39/90/1035623990.db2.gz SIQNOJSXBZNTQL-UHFFFAOYSA-N 1 0 387.487 3.540 20 30 GHEDRO CC[NH+]1CCN(c2ccc(-c3nc(C#N)ccc3NC(=O)C(C)(C)C)cc2)CC1 ZINC001241740110 1035666666 /nfs/dbraw/zinc/66/66/66/1035666666.db2.gz JVOYWAVWIXTCPW-UHFFFAOYSA-N 1 0 391.519 3.747 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(C[C@@H]([NH3+])c3ccc(Br)cc3)n2)c1 ZINC001248256807 1035706515 /nfs/dbraw/zinc/70/65/15/1035706515.db2.gz DPYDPYSAIGWTEA-OAHLLOKOSA-N 1 0 387.212 3.752 20 30 GHEDRO COc1c(Br)cc(F)cc1-c1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001243237280 1036073163 /nfs/dbraw/zinc/07/31/63/1036073163.db2.gz YZGSVIYCYXEQGG-UHFFFAOYSA-N 1 0 390.256 3.545 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001248748709 1036105681 /nfs/dbraw/zinc/10/56/81/1036105681.db2.gz SZDKBXXWFMKEHX-QHCPKHFHSA-N 1 0 399.535 3.723 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001248750769 1036107761 /nfs/dbraw/zinc/10/77/61/1036107761.db2.gz VEEYZVSDWCKXEU-UHFFFAOYSA-N 1 0 375.520 3.793 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3ncc(F)c(Oc4ccc(C#N)cc4)n3)c2)CC1 ZINC001243669358 1036244892 /nfs/dbraw/zinc/24/48/92/1036244892.db2.gz OYXZQRKHWBVJEG-UHFFFAOYSA-N 1 0 389.434 3.698 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3nc4c(c(C#N)c3C#N)CCCCCC4)c2)CC1 ZINC001243668395 1036245812 /nfs/dbraw/zinc/24/58/12/1036245812.db2.gz DCPMJBOOEKCZBM-UHFFFAOYSA-N 1 0 385.515 3.903 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@@H](CO)C2)nc1C1=CC[C@@H](C#N)CC1 ZINC001243794089 1036283737 /nfs/dbraw/zinc/28/37/37/1036283737.db2.gz CJVRBHGWUSDPCA-IAGOWNOFSA-N 1 0 396.535 3.587 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH+]3CCC(CC#N)CC3)o2)C1 ZINC001462088498 1069988764 /nfs/dbraw/zinc/98/87/64/1069988764.db2.gz PIVYAPWZYFMXKP-GOSISDBHSA-N 1 0 387.524 3.963 20 30 GHEDRO N#Cc1cc(-c2cc(OC(F)(F)F)ccc2O)ccc1OC1CC[NH2+]CC1 ZINC001244459733 1036511002 /nfs/dbraw/zinc/51/10/02/1036511002.db2.gz AILIUYMDBZIZAB-UHFFFAOYSA-N 1 0 378.350 3.960 20 30 GHEDRO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462113585 1070004038 /nfs/dbraw/zinc/00/40/38/1070004038.db2.gz ZEMPNMKNELNXCK-BJKOFHAPSA-N 1 0 390.527 3.973 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC001245809985 1037008538 /nfs/dbraw/zinc/00/85/38/1037008538.db2.gz GXZDYANUCIEEBA-MLGOLLRUSA-N 1 0 384.471 3.982 20 30 GHEDRO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNc1ccc(C(F)(F)F)c(F)c1F ZINC001245972532 1037095596 /nfs/dbraw/zinc/09/55/96/1037095596.db2.gz HPKBDANFNVGOCD-GXTWGEPZSA-N 1 0 396.306 3.605 20 30 GHEDRO CCCCCCCC[C@H](O)CN[C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001245980038 1037105457 /nfs/dbraw/zinc/10/54/57/1037105457.db2.gz FKBGRYLWDHZVGP-VXKWHMMOSA-N 1 0 392.584 3.929 20 30 GHEDRO CCCCCCCC[C@H](O)CN[C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246009583 1037129617 /nfs/dbraw/zinc/12/96/17/1037129617.db2.gz UYIHTYXONYGDSH-SFTDATJTSA-N 1 0 378.557 3.538 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246031318 1037145983 /nfs/dbraw/zinc/14/59/83/1037145983.db2.gz VWIIGSVCUVFRKK-VJBWXMMDSA-N 1 0 398.632 3.738 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246275168 1037271279 /nfs/dbraw/zinc/27/12/79/1037271279.db2.gz YAOJXWBFQBWLBU-YFXJRYMSSA-N 1 0 391.515 3.538 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246764048 1037606844 /nfs/dbraw/zinc/60/68/44/1037606844.db2.gz DEBKBJQXYUFVQV-IRMYBRCSSA-N 1 0 388.527 3.753 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)N1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001246804315 1037637551 /nfs/dbraw/zinc/63/75/51/1037637551.db2.gz GDPBMMWPLXVDEE-MGPUTAFESA-N 1 0 384.321 3.898 20 30 GHEDRO CCOC(=O)[C@@H]1C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)CCN1 ZINC001246891780 1037705935 /nfs/dbraw/zinc/70/59/35/1037705935.db2.gz PJPQBUKYHLYTRU-TZYHBYERSA-N 1 0 391.515 3.805 20 30 GHEDRO CN(C)c1ccc(-c2nc3c(cccc3F)n2CC2CC[NH2+]CC2)c(F)c1C#N ZINC001247033697 1037854367 /nfs/dbraw/zinc/85/43/67/1037854367.db2.gz YEJFCHJBKKPTGD-UHFFFAOYSA-N 1 0 395.457 3.919 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1OC(C)C)C2 ZINC001232392903 1038177120 /nfs/dbraw/zinc/17/71/20/1038177120.db2.gz QQZZQQFVPASSPZ-IRLDBZIGSA-N 1 0 375.509 3.809 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001232456277 1038241479 /nfs/dbraw/zinc/24/14/79/1038241479.db2.gz CPYULOFBVHBOAW-YLJYHZDGSA-N 1 0 375.900 3.790 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(I)c(F)c1 ZINC001232488222 1038265915 /nfs/dbraw/zinc/26/59/15/1038265915.db2.gz QXCYKDSQAQXQPE-UHFFFAOYSA-N 1 0 380.204 3.934 20 30 GHEDRO C=C[C@@H]1C[C@]1(N)c1nc(-c2cc(Br)cc(Br)c2)no1 ZINC001247621580 1038279036 /nfs/dbraw/zinc/27/90/36/1038279036.db2.gz XCSOCWBHGRFURF-AMIZOPFISA-N 1 0 385.059 3.622 20 30 GHEDRO C=CCCCNC(=S)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)cc1 ZINC001247739791 1038356968 /nfs/dbraw/zinc/35/69/68/1038356968.db2.gz TZEOBPGZOXLKPU-IBGZPJMESA-N 1 0 375.582 3.822 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@@H]3COC4(C3)CC[NH2+]CC4)n2)c(C#N)c1 ZINC001247837353 1038415725 /nfs/dbraw/zinc/41/57/25/1038415725.db2.gz WHKHNYQRXQZPGO-HNNXBMFYSA-N 1 0 380.492 3.607 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@H]4C[NH2+]CC45CCOCC5)n3)cc2)cc1 ZINC001247841750 1038417444 /nfs/dbraw/zinc/41/74/44/1038417444.db2.gz NAZODIYQSUDOJV-HXUWFJFHSA-N 1 0 386.455 3.759 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@H]4CC[C@H]5[NH2+]CC[C@H]5O4)n3)cc2)cc1 ZINC001247894039 1038465552 /nfs/dbraw/zinc/46/55/52/1038465552.db2.gz RBKVSRLNFPZTQJ-VAMGGRTRSA-N 1 0 388.427 3.983 20 30 GHEDRO N#Cc1cc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1Br ZINC001232894867 1038686369 /nfs/dbraw/zinc/68/63/69/1038686369.db2.gz GHPYYLJFKRKGRW-WOJBJXKFSA-N 1 0 396.332 3.885 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C)cc3C#N)O2)cs1 ZINC001232964848 1038738837 /nfs/dbraw/zinc/73/88/37/1038738837.db2.gz BYMHHFVICYWCTH-BHDDXSALSA-N 1 0 397.544 3.970 20 30 GHEDRO Cc1ccc(CN2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C#N)c1 ZINC001232966361 1038739537 /nfs/dbraw/zinc/73/95/37/1038739537.db2.gz OTJOULHWLJKRBQ-QFIPXVFZSA-N 1 0 396.485 3.995 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)c(C#N)c1 ZINC001232966443 1038740362 /nfs/dbraw/zinc/74/03/62/1038740362.db2.gz QWLRNUZMKOHYTE-QFIPXVFZSA-N 1 0 391.515 3.959 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001233081745 1038851186 /nfs/dbraw/zinc/85/11/86/1038851186.db2.gz NXQWVPGQTBQMON-JOCHJYFZSA-N 1 0 391.515 3.959 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1Cn2nnc(-c3ccccc3)c2CO1 ZINC001252135511 1038888148 /nfs/dbraw/zinc/88/81/48/1038888148.db2.gz DNXFEOBUKLWBFE-VQTJNVASSA-N 1 0 386.540 3.545 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252321180 1038941407 /nfs/dbraw/zinc/94/14/07/1038941407.db2.gz ITHXMLSZBGVWCV-QAPCUYQASA-N 1 0 383.414 3.531 20 30 GHEDRO C[C@H]([NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 ZINC001252331564 1038944390 /nfs/dbraw/zinc/94/43/90/1038944390.db2.gz TWXQKBLLELKAHA-APPDUMDISA-N 1 0 397.422 3.679 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252331665 1038944804 /nfs/dbraw/zinc/94/48/04/1038944804.db2.gz VSCOLYATJQIBHR-MUKKUYKPSA-N 1 0 397.441 3.682 20 30 GHEDRO C[C@@](O)(C[NH2+][C@@H]1CCCC12CCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252344594 1038948292 /nfs/dbraw/zinc/94/82/92/1038948292.db2.gz GNMXPUDBJSLBIP-SJLPKXTDSA-N 1 0 395.425 3.579 20 30 GHEDRO C[C@@](O)(C[NH2+]C1CCC(C)(C)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252343523 1038948542 /nfs/dbraw/zinc/94/85/42/1038948542.db2.gz UILKNESIVHVIMP-LJQANCHMSA-N 1 0 397.441 3.825 20 30 GHEDRO C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H]([NH2+]CC(C)(C)O)c1ccnc2ccc(OC)cc21 ZINC001252365985 1038958313 /nfs/dbraw/zinc/95/83/13/1038958313.db2.gz SQUKZQWRCFTMOV-ODYPEACGSA-N 1 0 395.547 3.541 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@H](O)C[NH2+]C[C@H]1CNC(=O)C1 ZINC001252372423 1038961238 /nfs/dbraw/zinc/96/12/38/1038961238.db2.gz HXJCAEYFZDOGKX-LEWJYISDSA-N 1 0 384.605 3.791 20 30 GHEDRO C=CCOC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC001252494179 1039005313 /nfs/dbraw/zinc/00/53/13/1039005313.db2.gz WYDJHBZURVCLPQ-RTBURBONSA-N 1 0 376.294 3.692 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC(c2cc3c(ncn3C(C)C)c(N3CCCC3)n2)CC1 ZINC001252549589 1039029991 /nfs/dbraw/zinc/02/99/91/1039029991.db2.gz JCWYYXHTMTWNJA-QHCPKHFHSA-N 1 0 397.567 3.729 20 30 GHEDRO C=C[C@](C)(O)C[N@H+]1CC[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001252551897 1039030201 /nfs/dbraw/zinc/03/02/01/1039030201.db2.gz YLWQSWQKTKTLPS-OIBXWCBGSA-N 1 0 386.536 3.650 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]CC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252622185 1039051842 /nfs/dbraw/zinc/05/18/42/1039051842.db2.gz PTEWDZOETJVCKC-HXUWFJFHSA-N 1 0 388.552 3.872 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]CC1(Cc2ccc(Br)cc2)CCOCC1 ZINC001252622314 1039052444 /nfs/dbraw/zinc/05/24/44/1039052444.db2.gz RQSJNXKCGULWPF-SFHVURJKSA-N 1 0 382.342 3.705 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001252980589 1039308728 /nfs/dbraw/zinc/30/87/28/1039308728.db2.gz WHFJKQZJLJDYDE-GXRSIYKFSA-N 1 0 396.616 3.693 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001252982765 1039311330 /nfs/dbraw/zinc/31/13/30/1039311330.db2.gz LWTDDKMXRNFNKG-FGZHOGPDSA-N 1 0 396.616 3.885 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233453737 1039342684 /nfs/dbraw/zinc/34/26/84/1039342684.db2.gz RNJBIEBQQDNNHS-LJQANCHMSA-N 1 0 382.426 3.944 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2C)CC1 ZINC001253238866 1039496614 /nfs/dbraw/zinc/49/66/14/1039496614.db2.gz UEQGAZUHYAOLHX-VXKWHMMOSA-N 1 0 399.579 3.749 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CC2(C1)CCN(Cc1csc(C)n1)C2 ZINC001253239211 1039496704 /nfs/dbraw/zinc/49/67/04/1039496704.db2.gz WIEKAZCAWKGGAI-FQEVSTJZSA-N 1 0 377.598 3.847 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001253243253 1039500084 /nfs/dbraw/zinc/50/00/84/1039500084.db2.gz TUNUITBTVFSBGA-CVEARBPZSA-N 1 0 387.446 3.836 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253247086 1039501816 /nfs/dbraw/zinc/50/18/16/1039501816.db2.gz WHTSRKJSBQBLAD-DENIHFKCSA-N 1 0 398.588 3.616 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H]2[C@H]1OCCN2C(=O)OC(C)(C)C ZINC001253248422 1039502917 /nfs/dbraw/zinc/50/29/17/1039502917.db2.gz VERVIWQACHMGFE-FYQPLNBISA-N 1 0 396.572 3.630 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C[C@H](O)c3ccc(F)c(F)c3)cc(C#N)c21 ZINC001253378195 1039589298 /nfs/dbraw/zinc/58/92/98/1039589298.db2.gz KNIKMSSGPOQRPK-ZSEKCTLFSA-N 1 0 397.425 3.705 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233754835 1039591866 /nfs/dbraw/zinc/59/18/66/1039591866.db2.gz MKAHZUDFNVQJLF-CRAIPNDOSA-N 1 0 387.398 3.617 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Nc2ccccc2)CC1 ZINC001253419181 1039616298 /nfs/dbraw/zinc/61/62/98/1039616298.db2.gz QGCMFDDRERVEOB-KPRXVCGWSA-N 1 0 382.552 3.882 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3CCC4(CC4)CC3)CC2)cc1 ZINC001233883656 1039682788 /nfs/dbraw/zinc/68/27/88/1039682788.db2.gz JYZLSXDXGJKEKB-UHFFFAOYSA-N 1 0 380.536 3.746 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCc1cn[nH]c1 ZINC001253613888 1039722655 /nfs/dbraw/zinc/72/26/55/1039722655.db2.gz FULCEXWBSKKSQP-JOCHJYFZSA-N 1 0 397.604 3.857 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1nccn1C ZINC001253616284 1039726711 /nfs/dbraw/zinc/72/67/11/1039726711.db2.gz RIYDEYNYFURSNI-NRFANRHFSA-N 1 0 397.604 3.825 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1=O ZINC001254252240 1040100137 /nfs/dbraw/zinc/10/01/37/1040100137.db2.gz BXNPCEAKKNMJHS-LJQANCHMSA-N 1 0 383.492 3.664 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1c(O)ccc3ccc(OC)cc31)CC2 ZINC001234537243 1040110168 /nfs/dbraw/zinc/11/01/68/1040110168.db2.gz ZXNJAXAQNQVHPM-UHFFFAOYSA-N 1 0 380.488 3.697 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(OCCOC3CC3)cc2)C1 ZINC001234538801 1040112341 /nfs/dbraw/zinc/11/23/41/1040112341.db2.gz NVALAFYLYQGIFT-QHCPKHFHSA-N 1 0 378.472 3.769 20 30 GHEDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)c(Br)c3)C2)C1=O ZINC001277867863 1040153868 /nfs/dbraw/zinc/15/38/68/1040153868.db2.gz QQTWORIHZRHYCF-IFXJQAMLSA-N 1 0 390.325 3.544 20 30 GHEDRO CN(Cc1ccccc1)C(=O)C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345143 1040178342 /nfs/dbraw/zinc/17/83/42/1040178342.db2.gz SHZCYLJRJQCSQM-UHFFFAOYSA-N 1 0 379.479 3.778 20 30 GHEDRO CC(=O)O/N=C(/C)c1ccccc1O[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001234846392 1040366615 /nfs/dbraw/zinc/36/66/15/1040366615.db2.gz MMSUMCWQGBONTQ-JTTRKVQASA-N 1 0 381.476 3.973 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(Cc2cccnc2)([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254649630 1040418086 /nfs/dbraw/zinc/41/80/86/1040418086.db2.gz UXBUIOCTCYFZRI-HKUYNNGSSA-N 1 0 384.524 3.676 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1cc3ccc(C#N)cc3[nH]1)CC2 ZINC001235024636 1040515897 /nfs/dbraw/zinc/51/58/97/1040515897.db2.gz PCXYDSBYFFTOEX-UHFFFAOYSA-N 1 0 386.499 3.685 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](n3cc(CC[NH3+])c4cc(C#N)ccc43)C[C@@H]2C1 ZINC001254895785 1040651736 /nfs/dbraw/zinc/65/17/36/1040651736.db2.gz ZYBSTRTUZYGTKD-BWTSREIZSA-N 1 0 394.519 3.832 20 30 GHEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001255018194 1040732308 /nfs/dbraw/zinc/73/23/08/1040732308.db2.gz CKFVNGVSXGQGMQ-NSHDSACASA-N 1 0 381.226 3.908 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CC[NH2+][C@H]4C[C@H]43)c2)cc1 ZINC001235295881 1040768633 /nfs/dbraw/zinc/76/86/33/1040768633.db2.gz VKPXVRFBBJFXTD-RBUKOAKNSA-N 1 0 384.277 3.659 20 30 GHEDRO CC[C@@H](CC#N)N(CCCC[NH3+])S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001255157938 1040878531 /nfs/dbraw/zinc/87/85/31/1040878531.db2.gz ZMTGERNPPFVKDV-INIZCTEOSA-N 1 0 393.940 3.915 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c(F)ccc(N)c3F)C[C@@H]2c2ccccc2)C1=O ZINC001235497862 1040962011 /nfs/dbraw/zinc/96/20/11/1040962011.db2.gz NACVPZJWTZTLSZ-JPYJTQIMSA-N 1 0 397.469 3.551 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255400725 1040986139 /nfs/dbraw/zinc/98/61/39/1040986139.db2.gz NFBZXUQQJNDPMF-ISKFKSNPSA-N 1 0 381.564 3.542 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(C(=O)OCc3ccccc3)CC1)C2 ZINC001462522010 1070325929 /nfs/dbraw/zinc/32/59/29/1070325929.db2.gz VCYAICOEMLWXKW-QHCPKHFHSA-N 1 0 389.499 3.664 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)C1 ZINC001255917669 1041403765 /nfs/dbraw/zinc/40/37/65/1041403765.db2.gz MPDBLDARLHSNKE-OALUTQOASA-N 1 0 385.508 3.801 20 30 GHEDRO Cn1cc(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001236358561 1041681414 /nfs/dbraw/zinc/68/14/14/1041681414.db2.gz YOJWLWOUCADICZ-FQEVSTJZSA-N 1 0 376.479 3.943 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(-c2cccc(C[NH+](C)C)c2)nc1C(F)(F)F ZINC001236417505 1041707221 /nfs/dbraw/zinc/70/72/21/1041707221.db2.gz SWRWWCNXRMCBRZ-UHFFFAOYSA-N 1 0 377.366 3.877 20 30 GHEDRO COc1ccc(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)c(C#N)c1 ZINC001236493628 1041738407 /nfs/dbraw/zinc/73/84/07/1041738407.db2.gz AAFZKXAFMNTZQY-UHFFFAOYSA-N 1 0 389.421 3.738 20 30 GHEDRO N#Cc1ccc(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)c(F)c1 ZINC001236496593 1041739679 /nfs/dbraw/zinc/73/96/79/1041739679.db2.gz FLNALSPBEGMIHQ-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(Br)c3C)C2)C1=O ZINC001236612751 1041782133 /nfs/dbraw/zinc/78/21/33/1041782133.db2.gz ZOPJMFGGMGQHSY-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1cc2ccccc2cc1OC ZINC001236679420 1041825078 /nfs/dbraw/zinc/82/50/78/1041825078.db2.gz SXTDPYQEBGRRMK-NRFANRHFSA-N 1 0 377.488 3.884 20 30 GHEDRO COc1ccc(CN2CC[NH2+]C[C@@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC001236803883 1041905673 /nfs/dbraw/zinc/90/56/73/1041905673.db2.gz PDFJTMIIHJWJMJ-LJQANCHMSA-N 1 0 375.394 3.732 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccnc3c(OC)cccc13)C2 ZINC001237106504 1042040441 /nfs/dbraw/zinc/04/04/41/1042040441.db2.gz SOSYNLTYEZLOJJ-QHCPKHFHSA-N 1 0 379.504 3.777 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(C(F)(F)F)ccc3O)C2)CC1 ZINC001237138077 1042060450 /nfs/dbraw/zinc/06/04/50/1042060450.db2.gz SXCSTRXHAYFRJB-UHFFFAOYSA-N 1 0 384.398 3.631 20 30 GHEDRO Cn1cc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c2cc(C#N)ccc21 ZINC001237468305 1042221050 /nfs/dbraw/zinc/22/10/50/1042221050.db2.gz KRPKFPVAXJRTAG-UHFFFAOYSA-N 1 0 394.482 3.503 20 30 GHEDRO Cn1cc(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c2cc(C#N)ccc21 ZINC001237471342 1042222770 /nfs/dbraw/zinc/22/27/70/1042222770.db2.gz SUSRJLBFWFKOSC-UHFFFAOYSA-N 1 0 382.508 3.929 20 30 GHEDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473184 1042224027 /nfs/dbraw/zinc/22/40/27/1042224027.db2.gz UVWPMZNWCDTIGQ-LJQANCHMSA-N 1 0 385.508 3.620 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2cn3cc(C#N)ccc3n2)C2CC2)C1 ZINC001237616745 1042282676 /nfs/dbraw/zinc/28/26/76/1042282676.db2.gz GRLTVPOZXZWWSQ-IBGZPJMESA-N 1 0 395.507 3.570 20 30 GHEDRO N#Cc1ccc2nc(CN3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cn2c1 ZINC001237617235 1042283873 /nfs/dbraw/zinc/28/38/73/1042283873.db2.gz KMMYZNNITFTYLI-LNGMVNIQSA-N 1 0 387.531 3.601 20 30 GHEDRO COc1ccc(C)c(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001237715431 1042339213 /nfs/dbraw/zinc/33/92/13/1042339213.db2.gz LCAVJHCPOJHVBJ-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC001237756766 1042355429 /nfs/dbraw/zinc/35/54/29/1042355429.db2.gz MZKXJVAWLNWLFB-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(-c4cccc(Cl)c4)no3)CC2)nc1 ZINC001237771887 1042361344 /nfs/dbraw/zinc/36/13/44/1042361344.db2.gz AMNWHXWLPNVMDT-UHFFFAOYSA-N 1 0 393.878 3.974 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccc(N3CCCCC3)n1)C2 ZINC001238001986 1042453213 /nfs/dbraw/zinc/45/32/13/1042453213.db2.gz ADUBHYGTTNMKSZ-HSZRJFAPSA-N 1 0 382.552 3.605 20 30 GHEDRO N#Cc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001238082154 1042485390 /nfs/dbraw/zinc/48/53/90/1042485390.db2.gz HXKFXEMDYDADNC-ICSRJNTNSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(Cl)c1 ZINC001238083949 1042486562 /nfs/dbraw/zinc/48/65/62/1042486562.db2.gz ZOLDVEUKSFREJY-JOCHJYFZSA-N 1 0 397.881 3.975 20 30 GHEDRO CC[C@H]1[N@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@]12CCC(=O)N2CCOC ZINC001238191205 1042514930 /nfs/dbraw/zinc/51/49/30/1042514930.db2.gz QAFHYFKZVVOEBH-CTNGQTDRSA-N 1 0 389.927 3.594 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4ccc(Cl)c(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001238194618 1042515992 /nfs/dbraw/zinc/51/59/92/1042515992.db2.gz QIARRXASBMBYHU-FPOVZHCZSA-N 1 0 381.907 3.858 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cncc(OCc3ccccc3)c1)C2 ZINC001238363690 1042570322 /nfs/dbraw/zinc/57/03/22/1042570322.db2.gz CGKHXDKXAAHAJW-RPWUZVMVSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCCCC[N@H+]1CCC[C@]2(CCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001278269507 1042693786 /nfs/dbraw/zinc/69/37/86/1042693786.db2.gz JKQJQYADDJFBOY-FQEVSTJZSA-N 1 0 378.948 3.597 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc1C#N ZINC001238773437 1042722361 /nfs/dbraw/zinc/72/23/61/1042722361.db2.gz ZAAMUDYXSGHRKM-QGZVFWFLSA-N 1 0 390.409 3.973 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1OCc1ccccc1)C2 ZINC001238772838 1042722399 /nfs/dbraw/zinc/72/23/99/1042722399.db2.gz JZQNSNQQZQSQEF-VWNXMTODSA-N 1 0 394.515 3.987 20 30 GHEDRO F[C@H]1C[NH2+]CC[C@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239355596 1042812868 /nfs/dbraw/zinc/81/28/68/1042812868.db2.gz HJRPBVZJUXYKPJ-WDEREUQCSA-N 1 0 389.340 3.711 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1C#N)CC21CC[NH2+]CC1 ZINC001239362688 1042813241 /nfs/dbraw/zinc/81/32/41/1042813241.db2.gz LCIZEXGYCDHCNA-FQEVSTJZSA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239433712 1042828242 /nfs/dbraw/zinc/82/82/42/1042828242.db2.gz IKNKXEWSZDDPED-CABCVRRESA-N 1 0 396.482 3.985 20 30 GHEDRO N#Cc1cc(-c2cccc(C(=O)NCc3ccccc3)c2)ccc1N1CC[NH2+]CC1 ZINC001240076477 1042882964 /nfs/dbraw/zinc/88/29/64/1042882964.db2.gz NVRWURBQPNARIA-UHFFFAOYSA-N 1 0 396.494 3.565 20 30 GHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240386321 1042924394 /nfs/dbraw/zinc/92/43/94/1042924394.db2.gz KVEWDDOOMVBDAS-LJQANCHMSA-N 1 0 398.466 3.699 20 30 GHEDRO N#CC1(c2cccnc2-c2cnn3cccnc23)CC[NH+](Cc2ccccc2)CC1 ZINC001240921167 1042965662 /nfs/dbraw/zinc/96/56/62/1042965662.db2.gz FNTFTFFUKMWQGI-UHFFFAOYSA-N 1 0 394.482 3.849 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291090826 1043072969 /nfs/dbraw/zinc/07/29/69/1043072969.db2.gz CSGWVTHTUOCXBI-ROUUACIJSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001291124914 1043095224 /nfs/dbraw/zinc/09/52/24/1043095224.db2.gz LQBMLEDEKVWKOD-RBUKOAKNSA-N 1 0 397.571 3.534 20 30 GHEDRO CC1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CC2)CC1 ZINC001291181980 1043143150 /nfs/dbraw/zinc/14/31/50/1043143150.db2.gz YWIUDYWZCLOCIN-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001291428868 1043247843 /nfs/dbraw/zinc/24/78/43/1043247843.db2.gz DKKFXGIOAGPHBN-QZTJIDSGSA-N 1 0 380.540 3.588 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001291428869 1043248103 /nfs/dbraw/zinc/24/81/03/1043248103.db2.gz DKKFXGIOAGPHBN-ROUUACIJSA-N 1 0 380.540 3.588 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001291505291 1043313763 /nfs/dbraw/zinc/31/37/63/1043313763.db2.gz GPCCJPXHMHJEHT-WAOWUJCRSA-N 1 0 390.551 3.888 20 30 GHEDRO C=CCOCc1ncn2c1CN([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC001256542917 1043495967 /nfs/dbraw/zinc/49/59/67/1043495967.db2.gz LPKVJMULCHBXGB-IRLDBZIGSA-N 1 0 394.563 3.845 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(C1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001256607703 1043573020 /nfs/dbraw/zinc/57/30/20/1043573020.db2.gz RSGNFCHPCMIRFD-LADGPHEKSA-N 1 0 384.564 3.725 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@H](C(F)(F)F)C1 ZINC001256959466 1043773710 /nfs/dbraw/zinc/77/37/10/1043773710.db2.gz FXJROCDBXMUJRM-CVSAEHQPSA-N 1 0 375.435 3.846 20 30 GHEDRO CCC[N@H+]([C@H](C)C(=O)Nc1c(C)csc1C(=O)OC)C1CCC(C#N)CC1 ZINC001256968152 1043777366 /nfs/dbraw/zinc/77/73/66/1043777366.db2.gz AUUJDXKIXCDYBT-QQFBHYJXSA-N 1 0 391.537 3.965 20 30 GHEDRO N#CC1CCC([NH+]2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC001256971284 1043778421 /nfs/dbraw/zinc/77/84/21/1043778421.db2.gz NKPTUFSKVFPPIW-UHFFFAOYSA-N 1 0 379.426 3.982 20 30 GHEDRO COC(=O)CC1CCC([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001256976296 1043780554 /nfs/dbraw/zinc/78/05/54/1043780554.db2.gz AEJSADCNDXZONW-NNDYNSRJSA-N 1 0 395.503 3.816 20 30 GHEDRO Cc1cc(N2CCC([NH2+]C3CCC(c4ccc(C#N)cc4)CC3)CC2)ncn1 ZINC001257014058 1043799562 /nfs/dbraw/zinc/79/95/62/1043799562.db2.gz NGENTQWWSWSBGO-UHFFFAOYSA-N 1 0 375.520 3.942 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257022141 1043807338 /nfs/dbraw/zinc/80/73/38/1043807338.db2.gz HCIXRKSJTGOXPZ-KWJLTHHISA-N 1 0 399.535 3.544 20 30 GHEDRO C[N@H+](CCc1ccccc1)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001292881746 1043928024 /nfs/dbraw/zinc/92/80/24/1043928024.db2.gz UFYMYGZPXICUIB-KRWDZBQOSA-N 1 0 376.287 3.849 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(C)C ZINC001292957983 1043965274 /nfs/dbraw/zinc/96/52/74/1043965274.db2.gz QUTIWXIEPFLMAZ-QZTJIDSGSA-N 1 0 385.335 3.842 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-c2ccc(C)nn2)cc1)C(C)C ZINC001292958628 1043965319 /nfs/dbraw/zinc/96/53/19/1043965319.db2.gz YEBLRCQVCWAOOQ-JOCHJYFZSA-N 1 0 378.520 3.880 20 30 GHEDRO C[C@H]1CC([NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257589938 1044073188 /nfs/dbraw/zinc/07/31/88/1044073188.db2.gz MDEYODCCAKBTIW-ROUUACIJSA-N 1 0 398.551 3.857 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@H]3CCCSC3)c3ccccc32)cc1 ZINC001257669103 1044110367 /nfs/dbraw/zinc/11/03/67/1044110367.db2.gz YNRGRRYRYSPDDV-INIZCTEOSA-N 1 0 380.517 3.694 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257797746 1044181463 /nfs/dbraw/zinc/18/14/63/1044181463.db2.gz GJMQQCIAWGOXCU-DXIQSLLYSA-N 1 0 377.573 3.796 20 30 GHEDRO C=C1C[C@@H]2CC(NC3(C(=O)OC)CC[NH+](Cc4ccccc4)CC3)C[C@H](C1)C2 ZINC001257887958 1044245195 /nfs/dbraw/zinc/24/51/95/1044245195.db2.gz QHCUHMCTHHSAMW-CBQGHPETSA-N 1 0 382.548 3.919 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)C1 ZINC001294468751 1044648844 /nfs/dbraw/zinc/64/88/44/1044648844.db2.gz PNVMOTDNEGBPPH-KRWDZBQOSA-N 1 0 396.539 3.617 20 30 GHEDRO [NH2+]=C(N[C@@H]1CCC(=O)N(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1 ZINC001258575278 1044650033 /nfs/dbraw/zinc/65/00/33/1044650033.db2.gz YQYDESXCAFVGQE-OAQYLSRUSA-N 1 0 387.483 3.832 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](C3CCN(C(=O)c4ccccc4)CC3)C2)c1 ZINC001258647651 1044688205 /nfs/dbraw/zinc/68/82/05/1044688205.db2.gz WRIAMJCJUOJHEY-HSZRJFAPSA-N 1 0 389.499 3.706 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCCn2nnc(CNC(C)=O)c2C1 ZINC001258713931 1044729988 /nfs/dbraw/zinc/72/99/88/1044729988.db2.gz DCZSVGRQCVSCCF-IBGZPJMESA-N 1 0 377.577 3.895 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2 ZINC001258714206 1044732217 /nfs/dbraw/zinc/73/22/17/1044732217.db2.gz KRWHZJWNACFOCI-GOSISDBHSA-N 1 0 390.572 3.906 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001258714477 1044732290 /nfs/dbraw/zinc/73/22/90/1044732290.db2.gz PADQGZARYUNHNI-GXRSIYKFSA-N 1 0 394.600 3.852 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@H]2C)CC1 ZINC001294678978 1044761305 /nfs/dbraw/zinc/76/13/05/1044761305.db2.gz SGTWXDHOAMXPAY-YLJYHZDGSA-N 1 0 392.551 3.783 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CC1CC1 ZINC001294748760 1044781835 /nfs/dbraw/zinc/78/18/35/1044781835.db2.gz DDFYIQCGMBJXQD-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)Cc1ccccc1OC)CC2 ZINC001258888409 1044838738 /nfs/dbraw/zinc/83/87/38/1044838738.db2.gz IKOMDEWFNXTPBC-SFHVURJKSA-N 1 0 395.547 3.994 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)C1 ZINC001295511402 1045038278 /nfs/dbraw/zinc/03/82/78/1045038278.db2.gz HTCAJCKMORNLSP-YZGWKJHDSA-N 1 0 396.514 3.515 20 30 GHEDRO CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001295702422 1045108651 /nfs/dbraw/zinc/10/86/51/1045108651.db2.gz NDCJBPKOOYLKRE-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)C[C@H]1C ZINC001295985190 1045208341 /nfs/dbraw/zinc/20/83/41/1045208341.db2.gz QMRTWDDAFYIKSO-IAGOWNOFSA-N 1 0 378.524 3.536 20 30 GHEDRO C[NH+](C)CC[C@H](Nc1cc(Br)c(C#N)cc1F)c1cccnc1 ZINC001307214928 1045350441 /nfs/dbraw/zinc/35/04/41/1045350441.db2.gz YRCTTYWVCGOAJV-INIZCTEOSA-N 1 0 377.261 3.960 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(Br)c(Cl)c1F ZINC001297372730 1045504462 /nfs/dbraw/zinc/50/44/62/1045504462.db2.gz BRDIHLTXCWFMKP-UHFFFAOYSA-N 1 0 377.685 3.822 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(C#N)CC1)c1ccco1 ZINC001298028231 1045680309 /nfs/dbraw/zinc/68/03/09/1045680309.db2.gz NOFRMPQNNKLDMO-SFHVURJKSA-N 1 0 382.512 3.572 20 30 GHEDRO CN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C[NH+](C)C ZINC001298068514 1045692473 /nfs/dbraw/zinc/69/24/73/1045692473.db2.gz XKIHBHPULCGBEK-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298283756 1045763443 /nfs/dbraw/zinc/76/34/43/1045763443.db2.gz NCYLEAOYJIHCQL-UHFFFAOYSA-N 1 0 392.551 3.786 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)c2c[nH]c3cccc(C#N)c32)[NH+](C)C)cc1 ZINC001298722820 1045930766 /nfs/dbraw/zinc/93/07/66/1045930766.db2.gz QFHGSVCEUYNJDJ-NRFANRHFSA-N 1 0 390.487 3.859 20 30 GHEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001299753783 1046020355 /nfs/dbraw/zinc/02/03/55/1046020355.db2.gz HOUIIQPQZSXSJI-OLMNPRSZSA-N 1 0 379.426 3.963 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300918683 1046241098 /nfs/dbraw/zinc/24/10/98/1046241098.db2.gz FINRCKDPIFQNFL-HXUWFJFHSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001300963840 1046263102 /nfs/dbraw/zinc/26/31/02/1046263102.db2.gz JXSPJBSDZPOTTJ-LJQANCHMSA-N 1 0 383.540 3.580 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(COc3cccc(F)c3)cc2)CCOCC1 ZINC001262576414 1046272906 /nfs/dbraw/zinc/27/29/06/1046272906.db2.gz PHSRCDBBOKRQGX-OAQYLSRUSA-N 1 0 398.478 3.566 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001301029029 1046296227 /nfs/dbraw/zinc/29/62/27/1046296227.db2.gz FAJKUZFGNQQORI-HZPDHXFCSA-N 1 0 389.931 3.625 20 30 GHEDRO C=C1CCN(c2nnc(C)n2C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC001301067480 1046318211 /nfs/dbraw/zinc/31/82/11/1046318211.db2.gz ZWBDISPGISJCLA-OAQYLSRUSA-N 1 0 381.524 3.589 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccn3C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001301078557 1046323683 /nfs/dbraw/zinc/32/36/83/1046323683.db2.gz RLIJOZZRARLRSV-LJQANCHMSA-N 1 0 382.556 3.705 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001301086589 1046330321 /nfs/dbraw/zinc/33/03/21/1046330321.db2.gz XVJFGHOHYXVKKK-OALUTQOASA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301149732 1046374331 /nfs/dbraw/zinc/37/43/31/1046374331.db2.gz FDHYGDOMWXPSQN-RBUKOAKNSA-N 1 0 394.567 3.924 20 30 GHEDRO C=CCCCCn1c(CCc2ccccc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301195286 1046396904 /nfs/dbraw/zinc/39/69/04/1046396904.db2.gz WRMPDGMZEZNTJG-UHFFFAOYSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001262964616 1046454240 /nfs/dbraw/zinc/45/42/40/1046454240.db2.gz ZDCGSFGXXWXFIJ-CYBMUJFWSA-N 1 0 392.960 3.552 20 30 GHEDRO C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[NH+]1CCC(C)CC1 ZINC001301287101 1046455046 /nfs/dbraw/zinc/45/50/46/1046455046.db2.gz OIKMLRQREIKRSC-UHFFFAOYSA-N 1 0 392.551 3.791 20 30 GHEDRO C=CCN(c1nnc(Cc2ccsc2)n1C[C@@H](CC)[NH+]1CCCC1)C1CC1 ZINC001301329655 1046493312 /nfs/dbraw/zinc/49/33/12/1046493312.db2.gz LUZXWVQLJLCBGE-GOSISDBHSA-N 1 0 385.581 3.960 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC=C(C)C1)C(C)C ZINC001301371331 1046512427 /nfs/dbraw/zinc/51/24/27/1046512427.db2.gz ONMKSDXLNYECGB-NHCUHLMSSA-N 1 0 399.583 3.985 20 30 GHEDRO C=CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301445758 1046547510 /nfs/dbraw/zinc/54/75/10/1046547510.db2.gz IYNMWTDTAVMTSX-UHFFFAOYSA-N 1 0 395.551 3.840 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001263288281 1046683779 /nfs/dbraw/zinc/68/37/79/1046683779.db2.gz MUKOWHXCFZHWGL-WIYYLYMNSA-N 1 0 395.551 3.630 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2c(C)n[nH]c2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001263303971 1046701646 /nfs/dbraw/zinc/70/16/46/1046701646.db2.gz ODHIKJDKFCVNHP-INIZCTEOSA-N 1 0 399.587 3.657 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC1([NH+](C)C)CCCC1 ZINC001301959588 1046761711 /nfs/dbraw/zinc/76/17/11/1046761711.db2.gz PXRRPICIADELGE-MRXNPFEDSA-N 1 0 384.503 3.554 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000586053453 1046877398 /nfs/dbraw/zinc/87/73/98/1046877398.db2.gz NVVPOHSCXJUQNB-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N(C)CC[NH+]2CCCCC2)n1Cc1cccs1 ZINC001263498992 1046909506 /nfs/dbraw/zinc/90/95/06/1046909506.db2.gz SVELSFBNMPSLFR-QGZVFWFLSA-N 1 0 386.569 3.717 20 30 GHEDRO N#CC1(COC(=O)c2cc3ncccc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC001263537771 1046930389 /nfs/dbraw/zinc/93/03/89/1046930389.db2.gz XTFCRNSEZJSGPV-UHFFFAOYSA-N 1 0 375.428 3.791 20 30 GHEDRO C=CCCOCC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463146585 1070852025 /nfs/dbraw/zinc/85/20/25/1070852025.db2.gz FQIWSMOOVBNNNF-LADGPHEKSA-N 1 0 378.516 3.754 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2CC2CC2)CC1)CC1CC1 ZINC001263740212 1047082121 /nfs/dbraw/zinc/08/21/21/1047082121.db2.gz LTVHZMHZGODOIW-RTWAWAEBSA-N 1 0 396.583 3.654 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302839896 1047134434 /nfs/dbraw/zinc/13/44/34/1047134434.db2.gz JSPDBKSUUNVWGM-LJQANCHMSA-N 1 0 396.583 3.961 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001302921150 1047190572 /nfs/dbraw/zinc/19/05/72/1047190572.db2.gz WKJAKGXCOMZRQM-KNQAVFIVSA-N 1 0 386.588 3.871 20 30 GHEDRO N#CC1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303001169 1047242496 /nfs/dbraw/zinc/24/24/96/1047242496.db2.gz OTMLAALPVNUPCH-UHFFFAOYSA-N 1 0 396.926 3.600 20 30 GHEDRO CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303030905 1047254530 /nfs/dbraw/zinc/25/45/30/1047254530.db2.gz YJFSNRJTSJNNOD-RXVVDRJESA-N 1 0 392.551 3.926 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCCc4ccccc43)CC2)c1 ZINC000593292382 1047329363 /nfs/dbraw/zinc/32/93/63/1047329363.db2.gz BLAGNTDWVNLXED-QHCPKHFHSA-N 1 0 388.515 3.899 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001303665496 1047472103 /nfs/dbraw/zinc/47/21/03/1047472103.db2.gz UOCFIDRUZWYKLD-RTBURBONSA-N 1 0 380.540 3.948 20 30 GHEDRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCC1 ZINC001303744052 1047502077 /nfs/dbraw/zinc/50/20/77/1047502077.db2.gz FRFJYGQBDTXIOU-GOSISDBHSA-N 1 0 384.572 3.798 20 30 GHEDRO Cc1nnc(N(CCC#N)CCC(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001304273112 1047633859 /nfs/dbraw/zinc/63/38/59/1047633859.db2.gz IYYMBZAEZRNJPI-NRFANRHFSA-N 1 0 382.556 3.964 20 30 GHEDRO CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001304586429 1047721529 /nfs/dbraw/zinc/72/15/29/1047721529.db2.gz DKJREDPRPYHVJA-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO C[C@@H]1C[C@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001304920855 1047808417 /nfs/dbraw/zinc/80/84/17/1047808417.db2.gz OTBLJWQYBJPLIU-HDICACEKSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC(C)(C)C1 ZINC001305057846 1047866048 /nfs/dbraw/zinc/86/60/48/1047866048.db2.gz DAHVRECGMCYJOJ-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C ZINC001305058085 1047866316 /nfs/dbraw/zinc/86/63/16/1047866316.db2.gz FJYIJRLABAAYOS-QGZVFWFLSA-N 1 0 380.540 3.783 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N[C@@H](C)c1ncc[nH]1 ZINC001279871784 1047975729 /nfs/dbraw/zinc/97/57/29/1047975729.db2.gz ZITUAMZGKLMOQJ-DLBZAZTESA-N 1 0 378.586 3.755 20 30 GHEDRO N#CCC1CN(C(=O)C23CC([NH2+]Cc4c(Cl)ccc(F)c4Cl)(C2)C3)C1 ZINC001279892324 1047981860 /nfs/dbraw/zinc/98/18/60/1047981860.db2.gz PSPTZJIKESPIQN-UHFFFAOYSA-N 1 0 382.266 3.517 20 30 GHEDRO C=CCCCNC(=S)N1CCC2(CCC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001279936951 1047994948 /nfs/dbraw/zinc/99/49/48/1047994948.db2.gz UVVBSXDWYPNHJU-UHFFFAOYSA-N 1 0 392.638 3.970 20 30 GHEDRO CS[C@@H](C)CC[NH+]1CC2(C[C@@H]2C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280224251 1048133795 /nfs/dbraw/zinc/13/37/95/1048133795.db2.gz QCLWDHAGDFCHHK-XJKSGUPXSA-N 1 0 389.590 3.901 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)F ZINC001305606667 1048180001 /nfs/dbraw/zinc/18/00/01/1048180001.db2.gz KLILVHYYFMPXAJ-HNNXBMFYSA-N 1 0 390.482 3.638 20 30 GHEDRO CCC(CC)[C@H](Cn1c(C)nnc1N(Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001305704855 1048223838 /nfs/dbraw/zinc/22/38/38/1048223838.db2.gz NJGZPXJKNJKVTQ-QFIPXVFZSA-N 1 0 394.567 3.994 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001463307800 1070977724 /nfs/dbraw/zinc/97/77/24/1070977724.db2.gz LJEFCMUUZQCXHQ-WIYYLYMNSA-N 1 0 384.545 3.747 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@@H+](C)[C@@H](C)CC ZINC001286286088 1048255227 /nfs/dbraw/zinc/25/52/27/1048255227.db2.gz SXKRYRRGBOJHQD-ROUUACIJSA-N 1 0 392.551 3.625 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001286288522 1048257181 /nfs/dbraw/zinc/25/71/81/1048257181.db2.gz HOHLQUSAJJHSBV-GOSISDBHSA-N 1 0 377.536 3.648 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001286297882 1048261693 /nfs/dbraw/zinc/26/16/93/1048261693.db2.gz YOCQXNVBQCNCLK-CTNGQTDRSA-N 1 0 393.579 3.989 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001286302707 1048264464 /nfs/dbraw/zinc/26/44/64/1048264464.db2.gz VOCQQLGLHSQLNL-VQTJNVASSA-N 1 0 397.567 3.662 20 30 GHEDRO C#CCCCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286335508 1048275904 /nfs/dbraw/zinc/27/59/04/1048275904.db2.gz KLBHWVAUFDAALO-XVAXZDLZSA-N 1 0 399.583 3.634 20 30 GHEDRO CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)C1 ZINC001305869097 1048276093 /nfs/dbraw/zinc/27/60/93/1048276093.db2.gz PLJYYVHSNFFBGC-QFIPXVFZSA-N 1 0 378.524 3.539 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](CC)[NH+]1CCCC1 ZINC001286362716 1048289709 /nfs/dbraw/zinc/28/97/09/1048289709.db2.gz DVSXXJUGGNGDSW-ROUUACIJSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286366206 1048291599 /nfs/dbraw/zinc/29/15/99/1048291599.db2.gz XSDYTNNYUAUXJK-ZWKOTPCHSA-N 1 0 391.519 3.881 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001286371462 1048295485 /nfs/dbraw/zinc/29/54/85/1048295485.db2.gz RYNFTWKUCRMOQA-HXUWFJFHSA-N 1 0 389.503 3.753 20 30 GHEDRO C#CCN(C)c1nnc(C2CCCC2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001286372845 1048296789 /nfs/dbraw/zinc/29/67/89/1048296789.db2.gz YZLPQWQYGXSHMW-OAQYLSRUSA-N 1 0 391.563 3.570 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001305921762 1048312647 /nfs/dbraw/zinc/31/26/47/1048312647.db2.gz WASVHRDPTTXRGC-IRXDYDNUSA-N 1 0 380.540 3.729 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001286423999 1048314413 /nfs/dbraw/zinc/31/44/13/1048314413.db2.gz QMCXJLZLGRYERY-OAQYLSRUSA-N 1 0 389.547 3.591 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001286438701 1048321178 /nfs/dbraw/zinc/32/11/78/1048321178.db2.gz BEJYYAINILVMBQ-OAQYLSRUSA-N 1 0 390.535 3.541 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2C)n1CC1([NH+](C)C)CCCCC1 ZINC001286448036 1048328553 /nfs/dbraw/zinc/32/85/53/1048328553.db2.gz ZIYDMHRNLWOPPU-UHFFFAOYSA-N 1 0 393.579 3.901 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CC[N@H+](CC)C1 ZINC001286578707 1048372374 /nfs/dbraw/zinc/37/23/74/1048372374.db2.gz IJFYYWRIAFIYMR-IBGZPJMESA-N 1 0 397.567 3.622 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286579620 1048373124 /nfs/dbraw/zinc/37/31/24/1048373124.db2.gz QGSPMEQUVQUMFO-IEBWSBKVSA-N 1 0 387.528 3.818 20 30 GHEDRO C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001286620334 1048392411 /nfs/dbraw/zinc/39/24/11/1048392411.db2.gz JMXGKQKUORIVDK-INIZCTEOSA-N 1 0 395.979 3.625 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+](C)CCCC)CC1 ZINC001286644084 1048409128 /nfs/dbraw/zinc/40/91/28/1048409128.db2.gz HWBVGZCYMDMVJA-UHFFFAOYSA-N 1 0 383.540 3.842 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001286663269 1048429012 /nfs/dbraw/zinc/42/90/12/1048429012.db2.gz JUFWSXUZEKMZFJ-MJGOQNOKSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCCCCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286689232 1048450651 /nfs/dbraw/zinc/45/06/51/1048450651.db2.gz KNSWYUFHNSXUCD-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286718970 1048474363 /nfs/dbraw/zinc/47/43/63/1048474363.db2.gz HBBDDGZHPUBASW-OAQYLSRUSA-N 1 0 385.581 3.567 20 30 GHEDRO N#Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC001463343501 1070999665 /nfs/dbraw/zinc/99/96/65/1070999665.db2.gz OFTBOONXQMSWNW-HLAWJBBLSA-N 1 0 377.463 3.728 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H](C)CC)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001286752449 1048505596 /nfs/dbraw/zinc/50/55/96/1048505596.db2.gz XJEDPQYDXWXQET-GUDVDZBRSA-N 1 0 389.588 3.858 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286753498 1048506281 /nfs/dbraw/zinc/50/62/81/1048506281.db2.gz DQVUPZKSDSDMGN-HXUWFJFHSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286753485 1048506533 /nfs/dbraw/zinc/50/65/33/1048506533.db2.gz DHLGNPZYTQOJHU-SFHVURJKSA-N 1 0 393.535 3.616 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001286754627 1048507259 /nfs/dbraw/zinc/50/72/59/1048507259.db2.gz BJDVEVSZOXWKNC-GOSISDBHSA-N 1 0 394.548 3.883 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001286759183 1048512461 /nfs/dbraw/zinc/51/24/61/1048512461.db2.gz LJINGRKHZDDNKT-UHFFFAOYSA-N 1 0 394.567 3.564 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001286967177 1048559221 /nfs/dbraw/zinc/55/92/21/1048559221.db2.gz CIAVPOFNYWIHGX-CRAIPNDOSA-N 1 0 386.569 3.896 20 30 GHEDRO CC(C)Cc1nnc(N(CCC#N)CC2CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001287380287 1048746716 /nfs/dbraw/zinc/74/67/16/1048746716.db2.gz DCAGEUVYZXMFSA-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C3CCC3)nnc2N2CCC(CC#N)CC2)C1 ZINC001287982678 1048961272 /nfs/dbraw/zinc/96/12/72/1048961272.db2.gz DLUPMJKYSWZDCJ-IBGZPJMESA-N 1 0 384.572 3.796 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001306993202 1048996448 /nfs/dbraw/zinc/99/64/48/1048996448.db2.gz WFHMGGNGZPQWRN-PKOBYXMFSA-N 1 0 391.475 3.540 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)CC ZINC001307052976 1049042410 /nfs/dbraw/zinc/04/24/10/1049042410.db2.gz AWYVVTFSUMMYJK-FQEVSTJZSA-N 1 0 380.540 3.927 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1Br ZINC001307071042 1049053014 /nfs/dbraw/zinc/05/30/14/1049053014.db2.gz DLOTZGIXHPUBHG-ZFWWWQNUSA-N 1 0 378.289 3.913 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccncc1)c1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC001307155965 1049108206 /nfs/dbraw/zinc/10/82/06/1049108206.db2.gz BNVJEBSEWDTQCX-UHFFFAOYSA-N 1 0 399.420 3.877 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001288507509 1049117180 /nfs/dbraw/zinc/11/71/80/1049117180.db2.gz NLKGIDDQFZJQQL-QAPCUYQASA-N 1 0 386.519 3.756 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)C[NH+](C)C ZINC001288514062 1049121087 /nfs/dbraw/zinc/12/10/87/1049121087.db2.gz KCDKNDIIBISHPT-OAHLLOKOSA-N 1 0 388.947 3.925 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001307190858 1049128701 /nfs/dbraw/zinc/12/87/01/1049128701.db2.gz DJZTYSXFPHFWKF-UHFFFAOYSA-N 1 0 391.475 3.744 20 30 GHEDRO N#Cc1cc2c(n(Cc3ccc(Cl)cc3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001307374699 1049231669 /nfs/dbraw/zinc/23/16/69/1049231669.db2.gz YFJLWJFNSLCTAT-UHFFFAOYSA-N 1 0 389.886 3.980 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1C ZINC001307438079 1049275589 /nfs/dbraw/zinc/27/55/89/1049275589.db2.gz OBUNBCJABAXATD-UHFFFAOYSA-N 1 0 392.503 3.981 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC001307511486 1049354788 /nfs/dbraw/zinc/35/47/88/1049354788.db2.gz OBKJCYHUSZZVCY-PXNSSMCTSA-N 1 0 387.524 3.952 20 30 GHEDRO C#CCN(C(=O)c1sc(-c2ccc(C)cc2F)nc1C)C1CC[NH+](C)CC1 ZINC001289195779 1049363359 /nfs/dbraw/zinc/36/33/59/1049363359.db2.gz UIAQCXDTERXKGO-UHFFFAOYSA-N 1 0 385.508 3.736 20 30 GHEDRO CC(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC001307651917 1049478402 /nfs/dbraw/zinc/47/84/02/1049478402.db2.gz WCEHZGROQOCLPG-GOTSBHOMSA-N 1 0 396.579 3.639 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CC)C[C@@H](CC)c2ccccc2)c1 ZINC001307699300 1049516420 /nfs/dbraw/zinc/51/64/20/1049516420.db2.gz JBMCFMSUUWWVCP-LJQANCHMSA-N 1 0 377.488 3.832 20 30 GHEDRO C[C@](Cc1ccccc1)([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1ccccc1 ZINC001307844992 1049630138 /nfs/dbraw/zinc/63/01/38/1049630138.db2.gz NPXCVERDQIQXEE-HSZRJFAPSA-N 1 0 383.455 3.554 20 30 GHEDRO N#Cc1ccccc1NC1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC001307967609 1049728796 /nfs/dbraw/zinc/72/87/96/1049728796.db2.gz PVTDWOLWLHOMJR-UHFFFAOYSA-N 1 0 385.471 3.797 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001307997273 1049748039 /nfs/dbraw/zinc/74/80/39/1049748039.db2.gz OTXYAPDUXBFPKP-HXUWFJFHSA-N 1 0 399.535 3.766 20 30 GHEDRO C=CCC[C@H]1CCC[N@H+]1C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001308134427 1049877175 /nfs/dbraw/zinc/87/71/75/1049877175.db2.gz AVFQHFWLJSNGIS-OALUTQOASA-N 1 0 396.453 3.598 20 30 GHEDRO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001290716478 1049907160 /nfs/dbraw/zinc/90/71/60/1049907160.db2.gz JSJZCPRWDWNDOZ-NRFANRHFSA-N 1 0 380.540 3.605 20 30 GHEDRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001308299431 1049942189 /nfs/dbraw/zinc/94/21/89/1049942189.db2.gz HDWZNCTWZSSANS-GUYCJALGSA-N 1 0 377.460 3.547 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OCC)C2)ccc1OC ZINC001308376637 1049961703 /nfs/dbraw/zinc/96/17/03/1049961703.db2.gz QDYGRKHARCKQCV-PKOBYXMFSA-N 1 0 390.524 3.997 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCC2(NC(=O)OC(C)(C)C)CCOCC2)cc1 ZINC001308757441 1050084348 /nfs/dbraw/zinc/08/43/48/1050084348.db2.gz JGPVRXAGBKUOJE-UHFFFAOYSA-N 1 0 390.524 3.805 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cccc(C#N)c1Cl ZINC001309021156 1050279496 /nfs/dbraw/zinc/27/94/96/1050279496.db2.gz PMOYXTXUWRFSMW-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO CN1CCC(=NNCC2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC001330142771 1050965331 /nfs/dbraw/zinc/96/53/31/1050965331.db2.gz MOQGPMHCUSCHTP-GOSISDBHSA-N 1 0 380.330 3.588 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001310168766 1051203646 /nfs/dbraw/zinc/20/36/46/1051203646.db2.gz WMSTXKDDMGBLME-HXUWFJFHSA-N 1 0 384.524 3.521 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+]1C ZINC001310211087 1051226090 /nfs/dbraw/zinc/22/60/90/1051226090.db2.gz NWMWDVGNVOUWPH-CRAIPNDOSA-N 1 0 379.464 3.692 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC001310237341 1051241456 /nfs/dbraw/zinc/24/14/56/1051241456.db2.gz JFMACACWHJKWJB-SFHVURJKSA-N 1 0 394.475 3.965 20 30 GHEDRO N#Cc1sc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc1Cl ZINC001310857424 1051655130 /nfs/dbraw/zinc/65/51/30/1051655130.db2.gz CGENRHJLLRXFNN-ZDUSSCGKSA-N 1 0 375.885 3.627 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC001310963952 1051738520 /nfs/dbraw/zinc/73/85/20/1051738520.db2.gz XEHGRCNYTIRJSB-MRXNPFEDSA-N 1 0 381.480 3.904 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1cccnc1 ZINC001333868012 1051856405 /nfs/dbraw/zinc/85/64/05/1051856405.db2.gz UMTFAUKBYQOCOH-QFIPXVFZSA-N 1 0 391.519 3.535 20 30 GHEDRO CCCN(C(=O)N[C@H](CC#N)C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001311215239 1051946102 /nfs/dbraw/zinc/94/61/02/1051946102.db2.gz GJQXKZCXOBTZEX-ZWKOTPCHSA-N 1 0 396.457 3.917 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCC2(CCCCC2)O1)C(C)C ZINC001311388443 1052080321 /nfs/dbraw/zinc/08/03/21/1052080321.db2.gz OIBQIZRJUCYFSU-UXHICEINSA-N 1 0 377.573 3.866 20 30 GHEDRO C#C[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC001311404221 1052109321 /nfs/dbraw/zinc/10/93/21/1052109321.db2.gz OCFYYMSWDAWACW-OAQYLSRUSA-N 1 0 381.907 3.762 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336273558 1052251322 /nfs/dbraw/zinc/25/13/22/1052251322.db2.gz OVFYEBZSBSPKNO-NZQKXSOJSA-N 1 0 395.478 3.779 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001311639122 1052294200 /nfs/dbraw/zinc/29/42/00/1052294200.db2.gz WCHXEWDRKCBXPH-QAPCUYQASA-N 1 0 392.341 3.545 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H]3CSC[C@@H]3C2)c1=S ZINC001337217912 1052426380 /nfs/dbraw/zinc/42/63/80/1052426380.db2.gz DHYSYZWOYYDHNB-GASCZTMLSA-N 1 0 388.562 3.528 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC001311993589 1052519486 /nfs/dbraw/zinc/51/94/86/1052519486.db2.gz KGLXJNMWYKCYIC-LJQANCHMSA-N 1 0 385.552 3.763 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001312250325 1052660695 /nfs/dbraw/zinc/66/06/95/1052660695.db2.gz CHBZAUBJGMUMMK-UWJYYQICSA-N 1 0 376.504 3.756 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001312735829 1052852552 /nfs/dbraw/zinc/85/25/52/1052852552.db2.gz DWRIQAIGYRDMPN-JOCHJYFZSA-N 1 0 391.515 3.553 20 30 GHEDRO C=CCCC1(CNC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001313005788 1052931782 /nfs/dbraw/zinc/93/17/82/1052931782.db2.gz ZQLIIGTUQYDYJD-UHFFFAOYSA-N 1 0 399.579 3.839 20 30 GHEDRO CCC[C@@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001313005040 1052931924 /nfs/dbraw/zinc/93/19/24/1052931924.db2.gz YRSQPFSXCWLYKE-HSZRJFAPSA-N 1 0 390.531 3.797 20 30 GHEDRO Cc1ccc(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001313268449 1053001866 /nfs/dbraw/zinc/00/18/66/1053001866.db2.gz PLOAXOQDFXJHAM-NRFANRHFSA-N 1 0 376.504 3.530 20 30 GHEDRO C=C(C)Cn1c([C@H]2CN3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343463 1053118542 /nfs/dbraw/zinc/11/85/42/1053118542.db2.gz KPGPYTCXFQNBDT-YFVAEKQCSA-N 1 0 393.535 3.861 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001313760822 1053209309 /nfs/dbraw/zinc/20/93/09/1053209309.db2.gz SRBBTVGXVCEMAU-QGZVFWFLSA-N 1 0 378.524 3.537 20 30 GHEDRO Cc1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1N1CC[NH+](C)CC1 ZINC001342822118 1053374536 /nfs/dbraw/zinc/37/45/36/1053374536.db2.gz XFYAHLKQHJVFPO-UHFFFAOYSA-N 1 0 394.494 3.674 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC001314649395 1053549936 /nfs/dbraw/zinc/54/99/36/1053549936.db2.gz AUDBCPXRUGJPHN-GCJKJVERSA-N 1 0 398.530 3.612 20 30 GHEDRO C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(C#N)CC1)Cc1ccccc1 ZINC001314864223 1053655342 /nfs/dbraw/zinc/65/53/42/1053655342.db2.gz NKJOFMFKSSKJCT-UHFFFAOYSA-N 1 0 394.567 3.739 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1ccc(C)o1 ZINC001343344363 1053718220 /nfs/dbraw/zinc/71/82/20/1053718220.db2.gz KGSCBYRCPKSGNM-FQEVSTJZSA-N 1 0 399.539 3.708 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1ccc(C)o1 ZINC001343344364 1053718307 /nfs/dbraw/zinc/71/83/07/1053718307.db2.gz KGSCBYRCPKSGNM-HXUWFJFHSA-N 1 0 399.539 3.708 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@H]2C1 ZINC001343515535 1053834616 /nfs/dbraw/zinc/83/46/16/1053834616.db2.gz PQAYSOBROVUDMT-GUDVDZBRSA-N 1 0 378.520 3.747 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001343766187 1054009234 /nfs/dbraw/zinc/00/92/34/1054009234.db2.gz VGJYQHVCXAJUPE-IBGZPJMESA-N 1 0 396.583 3.958 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001343787910 1054028820 /nfs/dbraw/zinc/02/88/20/1054028820.db2.gz VGEGKUFIKLRLOE-ZCNNSNEGSA-N 1 0 387.572 3.591 20 30 GHEDRO Cc1cccc2[nH]c([C@@H](C#N)C(=O)C=Cc3ccc(OCC[NH+](C)C)cc3)nc21 ZINC001343980719 1054157795 /nfs/dbraw/zinc/15/77/95/1054157795.db2.gz YWTZGFBCSSKDRK-ADYPVZHUSA-N 1 0 388.471 3.701 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1)C(C)C ZINC001317828966 1054271489 /nfs/dbraw/zinc/27/14/89/1054271489.db2.gz JPKBCTHZNRYQDK-OAQYLSRUSA-N 1 0 398.551 3.942 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001318498729 1054679578 /nfs/dbraw/zinc/67/95/78/1054679578.db2.gz MRPAOEQRPPTLRI-SFTDATJTSA-N 1 0 377.488 3.740 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001318623593 1054756871 /nfs/dbraw/zinc/75/68/71/1054756871.db2.gz NCOAEJFJRPDRNT-FCHUYYIVSA-N 1 0 377.488 3.740 20 30 GHEDRO COc1cc(C[NH2+]CCNc2ncccc2C#N)ccc1OCc1ccccc1 ZINC001318629681 1054759738 /nfs/dbraw/zinc/75/97/38/1054759738.db2.gz JSYWBTYOXRSOAJ-UHFFFAOYSA-N 1 0 388.471 3.743 20 30 GHEDRO C#CC[C@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)c1ccccc1 ZINC001319515816 1055300707 /nfs/dbraw/zinc/30/07/07/1055300707.db2.gz QYQKFSKFVGLKCM-NRFANRHFSA-N 1 0 376.504 3.633 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC001320037467 1055613097 /nfs/dbraw/zinc/61/30/97/1055613097.db2.gz FLMDPGZQHZLZHH-WXFUMESZSA-N 1 0 381.516 3.739 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC001320689718 1055929454 /nfs/dbraw/zinc/92/94/54/1055929454.db2.gz IRUOGWCDXLVZNJ-NRFANRHFSA-N 1 0 381.472 3.829 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001300450684 1056132371 /nfs/dbraw/zinc/13/23/71/1056132371.db2.gz XGZKWVKQUNNGOJ-UHFFFAOYSA-N 1 0 393.457 3.597 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC001323396306 1056964258 /nfs/dbraw/zinc/96/42/58/1056964258.db2.gz IZKSTSLDRGCSJU-HNNXBMFYSA-N 1 0 390.405 3.798 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324115821 1057073440 /nfs/dbraw/zinc/07/34/40/1057073440.db2.gz NLMDHFFCUQODNM-XCFNNZSKSA-N 1 0 397.563 3.853 20 30 GHEDRO C=CCn1c(-c2oc3ccccc3c2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001355370456 1057135169 /nfs/dbraw/zinc/13/51/69/1057135169.db2.gz SHESKKYDAHULDO-UHFFFAOYSA-N 1 0 377.492 3.718 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001355582699 1057218918 /nfs/dbraw/zinc/21/89/18/1057218918.db2.gz XPTYLJZAVQMSLP-WOJBJXKFSA-N 1 0 390.527 3.975 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCNC(=O)c1ccccc1C(F)(F)F ZINC001324891469 1057242344 /nfs/dbraw/zinc/24/23/44/1057242344.db2.gz QVDDMXRYVOQWTL-LJQANCHMSA-N 1 0 387.405 3.974 20 30 GHEDRO C=CCn1c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001356007445 1057353819 /nfs/dbraw/zinc/35/38/19/1057353819.db2.gz IXFYMJZLKMOBFG-WZONZLPQSA-N 1 0 394.567 3.500 20 30 GHEDRO Cc1cn(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccccc12 ZINC001326728378 1057543404 /nfs/dbraw/zinc/54/34/04/1057543404.db2.gz NQFMCVMPZIENKI-UHFFFAOYSA-N 1 0 386.499 3.602 20 30 GHEDRO C#C[C@H](NC(=[NH2+])NCCc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1F ZINC000849051569 1057560981 /nfs/dbraw/zinc/56/09/81/1057560981.db2.gz PIVPMIWFQILFEY-KRWDZBQOSA-N 1 0 389.858 3.527 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000849053882 1057562401 /nfs/dbraw/zinc/56/24/01/1057562401.db2.gz UJWDZVYUDVIRSV-UHFFFAOYSA-N 1 0 382.489 3.589 20 30 GHEDRO Cc1ccc(C[NH+]=C(NCc2ccc(-n3cncn3)nc2)Nc2ccccc2)cc1 ZINC000849060199 1057571675 /nfs/dbraw/zinc/57/16/75/1057571675.db2.gz LBIYRLGSNZBLOB-UHFFFAOYSA-N 1 0 397.486 3.729 20 30 GHEDRO c1ccc(NC(=[NH+]Cc2cccc(CN3CCOCC3)c2)N2CCCCC2)cc1 ZINC000849062308 1057573381 /nfs/dbraw/zinc/57/33/81/1057573381.db2.gz NKKBTEYZXPPJQW-UHFFFAOYSA-N 1 0 392.547 3.973 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cccc(C(=O)NCC)c1 ZINC000849072343 1057581736 /nfs/dbraw/zinc/58/17/36/1057581736.db2.gz GWVDYWGKOVDFJX-UHFFFAOYSA-N 1 0 380.536 3.780 20 30 GHEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC001338111226 1058410750 /nfs/dbraw/zinc/41/07/50/1058410750.db2.gz BDRLXLXJTQUFKP-WMZOPIPTSA-N 1 0 380.554 3.539 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C(F)(F)c1ccccc1C#N)Cc1ccccc1 ZINC001440742388 1058604743 /nfs/dbraw/zinc/60/47/43/1058604743.db2.gz FPXJFADIZFUOJP-LJQANCHMSA-N 1 0 385.458 3.719 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@H+]2CCC[C@H](C)C2)s1 ZINC001441350110 1058757221 /nfs/dbraw/zinc/75/72/21/1058757221.db2.gz DTMWJXNVIGOULW-LBPRGKRZSA-N 1 0 388.002 3.687 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001338995534 1058918235 /nfs/dbraw/zinc/91/82/35/1058918235.db2.gz QZUWVERGHNNAFP-ICSRJNTNSA-N 1 0 383.540 3.520 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001339155361 1058985924 /nfs/dbraw/zinc/98/59/24/1058985924.db2.gz OVMZZTCFVZYGDS-UHFFFAOYSA-N 1 0 384.528 3.616 20 30 GHEDRO CCn1c(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nnc1C(C)(C)C#N ZINC001339382362 1059160036 /nfs/dbraw/zinc/16/00/36/1059160036.db2.gz LYFMZHQPMYLJPZ-UXHICEINSA-N 1 0 392.551 3.590 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001339497346 1059255951 /nfs/dbraw/zinc/25/59/51/1059255951.db2.gz CLBIMHICTVVIFQ-FPOVZHCZSA-N 1 0 392.551 3.625 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001339612334 1059345384 /nfs/dbraw/zinc/34/53/84/1059345384.db2.gz CGLDSBWOAAQTRA-OALUTQOASA-N 1 0 380.540 3.806 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N(C)[C@H](C)CC#N ZINC001339692203 1059395421 /nfs/dbraw/zinc/39/54/21/1059395421.db2.gz XTZCPUQEQSPVBP-UYAOXDASSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c(COC2CCC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001340153939 1059729477 /nfs/dbraw/zinc/72/94/77/1059729477.db2.gz FAGXIWQTFRVYRE-RBUKOAKNSA-N 1 0 387.572 3.624 20 30 GHEDRO C=CCn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N(C)Cc1c(C)noc1C ZINC001340490757 1059950242 /nfs/dbraw/zinc/95/02/42/1059950242.db2.gz LLBXMFMICJQAPB-QGZVFWFLSA-N 1 0 394.523 3.898 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC001340601170 1059990997 /nfs/dbraw/zinc/99/09/97/1059990997.db2.gz SVMSLRPWYHFXAV-FQEVSTJZSA-N 1 0 381.524 3.623 20 30 GHEDRO C=CCn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1C1(C#N)CCCCC1 ZINC001340612438 1059995017 /nfs/dbraw/zinc/99/50/17/1059995017.db2.gz MYLUDXFRIYZBBK-UHFFFAOYSA-N 1 0 382.556 3.644 20 30 GHEDRO N#CCCCCc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1ccccc1 ZINC001340738090 1060085263 /nfs/dbraw/zinc/08/52/63/1060085263.db2.gz DWRQXRPHTKVBEX-NRFANRHFSA-N 1 0 392.551 3.627 20 30 GHEDRO CCn1c(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nnc1C(C)(C)C#N ZINC001340917923 1060247087 /nfs/dbraw/zinc/24/70/87/1060247087.db2.gz DDDQTBOIPOHYNR-QHCPKHFHSA-N 1 0 392.551 3.592 20 30 GHEDRO CCn1c(C2CCN(CCC#N)CC2)nnc1N1CCSC(CC)(CC)C1 ZINC001341034982 1060345160 /nfs/dbraw/zinc/34/51/60/1060345160.db2.gz HBTUCMJEJQWDBG-UHFFFAOYSA-N 1 0 390.601 3.503 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001449380975 1060393471 /nfs/dbraw/zinc/39/34/71/1060393471.db2.gz BVAGCIVTXFEAPL-WOJBJXKFSA-N 1 0 397.604 3.678 20 30 GHEDRO CC(C)[C@H]1CN(c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)CC[N@@H+]1C ZINC001341144011 1060447589 /nfs/dbraw/zinc/44/75/89/1060447589.db2.gz FXYKDRFMOCBTCK-UYAOXDASSA-N 1 0 380.540 3.510 20 30 GHEDRO CCN(c1nnc([C@H](C)CCC#N)n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001341754960 1060863192 /nfs/dbraw/zinc/86/31/92/1060863192.db2.gz IONZDSXQEZXJEP-WSTZPKSXSA-N 1 0 380.540 3.884 20 30 GHEDRO C=CCn1c(N2CCC[C@H]([NH+]3CCCC3)C2)nnc1C(C)(C)COC(C)(C)C ZINC001342020176 1060999903 /nfs/dbraw/zinc/99/99/03/1060999903.db2.gz NBYPPTXKORNNLS-SFHVURJKSA-N 1 0 389.588 3.621 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001345933933 1061213602 /nfs/dbraw/zinc/21/36/02/1061213602.db2.gz KCTINEDXWFNMIX-SFHVURJKSA-N 1 0 396.539 3.760 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1CC1 ZINC001346041591 1061313730 /nfs/dbraw/zinc/31/37/30/1061313730.db2.gz LBZWAYKOXLUJNT-DBXWQHBBSA-N 1 0 392.551 3.519 20 30 GHEDRO C=C(C)Cn1c(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nnc1C(C)(F)F ZINC001346154562 1061409482 /nfs/dbraw/zinc/40/94/82/1061409482.db2.gz ZRXSABQVXNXUOX-UHFFFAOYSA-N 1 0 395.420 3.819 20 30 GHEDRO O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001454670257 1061906768 /nfs/dbraw/zinc/90/67/68/1061906768.db2.gz SOESOIWSFKNOEM-GLBTYYSXSA-N 1 0 394.490 3.969 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3Sc3ccccc3C#N)CC[C@@H]21 ZINC001454842346 1061944320 /nfs/dbraw/zinc/94/43/20/1061944320.db2.gz DUDLBGAQOPAZSS-HKUYNNGSSA-N 1 0 377.513 3.876 20 30 GHEDRO C=CCc1cc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc(OC)c1OC ZINC001434921737 1062114336 /nfs/dbraw/zinc/11/43/36/1062114336.db2.gz WWLIBMSXEWKHLA-UHFFFAOYSA-N 1 0 398.503 3.941 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001435567190 1062741800 /nfs/dbraw/zinc/74/18/00/1062741800.db2.gz SUHQXOBMDRCWEE-VQTJNVASSA-N 1 0 375.516 3.839 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001436211057 1063293735 /nfs/dbraw/zinc/29/37/35/1063293735.db2.gz YKOMQRXOKFKACM-VWLOTQADSA-N 1 0 390.527 3.919 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC001348958780 1063443028 /nfs/dbraw/zinc/44/30/28/1063443028.db2.gz XPXFFUYFHYPCEW-KRWDZBQOSA-N 1 0 382.895 3.656 20 30 GHEDRO Cc1c(Cl)cnc(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1C#N ZINC001458097586 1063564318 /nfs/dbraw/zinc/56/43/18/1063564318.db2.gz XMUJCBRSSLWHIJ-FQEVSTJZSA-N 1 0 383.927 3.706 20 30 GHEDRO COC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C#N)n1 ZINC001458111742 1063574311 /nfs/dbraw/zinc/57/43/11/1063574311.db2.gz KSSUDSWMCNHHKN-IRXDYDNUSA-N 1 0 392.503 3.830 20 30 GHEDRO C=CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1ccccc1 ZINC001436846135 1063671656 /nfs/dbraw/zinc/67/16/56/1063671656.db2.gz LXIWNLJMSDEYNU-TZRRMPRUSA-N 1 0 392.543 4.000 20 30 GHEDRO N#CCc1ccsc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001458248331 1063693574 /nfs/dbraw/zinc/69/35/74/1063693574.db2.gz VYMJDUWSQWMJLE-SLFFLAALSA-N 1 0 379.529 3.845 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)cc1 ZINC001437020765 1063739786 /nfs/dbraw/zinc/73/97/86/1063739786.db2.gz NUTLXQDGOZWBIJ-DNQXCXABSA-N 1 0 388.511 3.970 20 30 GHEDRO CC(C)Cc1ncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC001437244961 1063792924 /nfs/dbraw/zinc/79/29/24/1063792924.db2.gz PBTSRUPBWNCQQZ-UHFFFAOYSA-N 1 0 382.533 3.608 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3cc(Br)ccc3C#N)cc2)CC1 ZINC001458565256 1063893940 /nfs/dbraw/zinc/89/39/40/1063893940.db2.gz QWTLNSYNQUUCAJ-UHFFFAOYSA-N 1 0 385.309 3.685 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)cc1OC ZINC001437875319 1063945913 /nfs/dbraw/zinc/94/59/13/1063945913.db2.gz QPABHUNMJIXCPX-TXWCGJNESA-N 1 0 386.536 3.995 20 30 GHEDRO CC[C@@H](C)[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCc1ccccc1F ZINC001459389798 1064083115 /nfs/dbraw/zinc/08/31/15/1064083115.db2.gz QZNYQQRYNCYJPP-GOSISDBHSA-N 1 0 392.474 3.768 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC001459390068 1064083332 /nfs/dbraw/zinc/08/33/32/1064083332.db2.gz FTCXDYWCZZGAMV-RTBURBONSA-N 1 0 394.515 3.754 20 30 GHEDRO C[C@@H](c1ccsc1)N1CCN(c2nnc(CCCCC#N)n2CC2CC2)CC1 ZINC001350449682 1064089513 /nfs/dbraw/zinc/08/95/13/1064089513.db2.gz SNGHYDKQRXEGBS-KRWDZBQOSA-N 1 0 398.580 3.869 20 30 GHEDRO C[C@H](CN1CCOCC1)[N@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001459460741 1064103666 /nfs/dbraw/zinc/10/36/66/1064103666.db2.gz ZNNJUVDXZYBXEI-HXUWFJFHSA-N 1 0 382.935 3.914 20 30 GHEDRO C#CC[NH+](CC#C)CCCOc1c(Br)cccc1Br ZINC001459525779 1064120031 /nfs/dbraw/zinc/12/00/31/1064120031.db2.gz JLFNNTNUEODZCV-UHFFFAOYSA-N 1 0 385.099 3.549 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001459635187 1064151946 /nfs/dbraw/zinc/15/19/46/1064151946.db2.gz TXTGPEPYGCUXIJ-AFXVXQJMSA-N 1 0 384.564 3.878 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC001439031511 1064161296 /nfs/dbraw/zinc/16/12/96/1064161296.db2.gz IXEPYPDMKPKWDX-UHFFFAOYSA-N 1 0 380.467 3.789 20 30 GHEDRO CC[C@@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1cccc(C#N)c1 ZINC001459697535 1064175603 /nfs/dbraw/zinc/17/56/03/1064175603.db2.gz WLSBCCPCINQBBB-QRWLVFNGSA-N 1 0 376.460 3.541 20 30 GHEDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3cc(Cl)cc(C#N)c3)CC2)c1 ZINC001459765543 1064206914 /nfs/dbraw/zinc/20/69/14/1064206914.db2.gz GREGXNPVHORNIO-UHFFFAOYSA-N 1 0 385.895 3.941 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC001460022061 1064351860 /nfs/dbraw/zinc/35/18/60/1064351860.db2.gz ZJHLTHGGZJCJQT-DYESRHJHSA-N 1 0 392.565 3.562 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC001460063092 1064389168 /nfs/dbraw/zinc/38/91/68/1064389168.db2.gz RFHDXKYYVZNBNH-LLGFUMIMSA-N 1 0 399.535 3.620 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@@H](CC#N)c2ccccc2)[NH+]2CCCC2)cc1 ZINC001463568459 1064467518 /nfs/dbraw/zinc/46/75/18/1064467518.db2.gz ULLREJKJDVBRNI-FCHUYYIVSA-N 1 0 377.488 3.646 20 30 GHEDRO C=CCn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CCCC2(CC2)C1 ZINC001351938839 1064718848 /nfs/dbraw/zinc/71/88/48/1064718848.db2.gz RFTWUBOVDABQRL-UHFFFAOYSA-N 1 0 398.555 3.514 20 30 GHEDRO C#C[C@H]1CCCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000847280581 1064982043 /nfs/dbraw/zinc/98/20/43/1064982043.db2.gz ZQGASGOBDUHPMB-IBGZPJMESA-N 1 0 375.516 3.970 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 ZINC001464923134 1065275397 /nfs/dbraw/zinc/27/53/97/1065275397.db2.gz XQUKZBCUIXUMDM-LJQANCHMSA-N 1 0 393.572 3.617 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(CCC#N)cc2)CC1 ZINC001353322460 1065871897 /nfs/dbraw/zinc/87/18/97/1065871897.db2.gz DYCZZSJWFRVCOY-GOSISDBHSA-N 1 0 397.544 3.647 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[NH+]1CCCC1 ZINC001300275586 1065906232 /nfs/dbraw/zinc/90/62/32/1065906232.db2.gz WRRAYNIERIWZCT-ZWKOTPCHSA-N 1 0 399.514 3.501 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001300290586 1065936140 /nfs/dbraw/zinc/93/61/40/1065936140.db2.gz NPEDKWZJYCULCO-LJQANCHMSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300293164 1065940793 /nfs/dbraw/zinc/94/07/93/1065940793.db2.gz OREITICWSAWMPM-AZUAARDMSA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCC[NH+]1CCC(C)CC1 ZINC001300314456 1065974605 /nfs/dbraw/zinc/97/46/05/1065974605.db2.gz FZTHKNKLMHVULT-SFHVURJKSA-N 1 0 385.581 3.510 20 30 GHEDRO N#Cc1ccc(C2(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000847746316 1066017708 /nfs/dbraw/zinc/01/77/08/1066017708.db2.gz CJLSFGPQWVPLJT-UHFFFAOYSA-N 1 0 399.494 3.939 20 30 GHEDRO CC(C)(C)n1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000847745943 1066018619 /nfs/dbraw/zinc/01/86/19/1066018619.db2.gz SIGWPTWGOBTQIB-UHFFFAOYSA-N 1 0 380.492 3.601 20 30 GHEDRO N#CC1(COC(=O)c2ccnc(C3CC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000847747706 1066033052 /nfs/dbraw/zinc/03/30/52/1066033052.db2.gz OCXLXFSNJZYBQT-UHFFFAOYSA-N 1 0 375.472 3.922 20 30 GHEDRO CO[C@@](C)(C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000847749495 1066036396 /nfs/dbraw/zinc/03/63/96/1066036396.db2.gz RRVVSXGZHXSYKB-HSZRJFAPSA-N 1 0 392.499 3.897 20 30 GHEDRO N#CC1(COC(=O)[C@H]2COc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847749526 1066037003 /nfs/dbraw/zinc/03/70/03/1066037003.db2.gz SOIKSSILEDBYIF-FQEVSTJZSA-N 1 0 376.456 3.512 20 30 GHEDRO CCCCCCCCCNC(=S)NC1(C(=O)OCC)CC[NH+](CC)CC1 ZINC001200380177 1066043102 /nfs/dbraw/zinc/04/31/02/1066043102.db2.gz LJTNYKDTKGPHMB-UHFFFAOYSA-N 1 0 385.618 3.619 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](c1nccs1)C(F)(F)F)C(C)C ZINC001466628658 1066222534 /nfs/dbraw/zinc/22/25/34/1066222534.db2.gz ZYRYIJHEYAIOAV-KBPBESRZSA-N 1 0 390.475 3.744 20 30 GHEDRO N#CCC[C@H](NC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1)c1ccccc1 ZINC001357262594 1067022518 /nfs/dbraw/zinc/02/25/18/1067022518.db2.gz TVQXRBRKVIGETC-NRFANRHFSA-N 1 0 376.504 3.734 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467192378 1067138884 /nfs/dbraw/zinc/13/88/84/1067138884.db2.gz GXMVKDOYJUFTGQ-BASYENTBSA-N 1 0 396.457 3.827 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC001467196947 1067143644 /nfs/dbraw/zinc/14/36/44/1067143644.db2.gz ZUKQFWUGKJCTNU-QAPCUYQASA-N 1 0 396.457 3.973 20 30 GHEDRO N#CCCCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccccc1 ZINC001357810178 1067285643 /nfs/dbraw/zinc/28/56/43/1067285643.db2.gz DBBDQTAPVJRLOF-UHFFFAOYSA-N 1 0 392.551 3.627 20 30 GHEDRO Cc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC001467537742 1067348606 /nfs/dbraw/zinc/34/86/06/1067348606.db2.gz LDCNWLZPBHARNX-UHFFFAOYSA-N 1 0 378.520 3.818 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cc(Cl)cc2c1OCC2)C(C)C ZINC001467660480 1067404660 /nfs/dbraw/zinc/40/46/60/1067404660.db2.gz QBEQLCJRGNKABD-IBGZPJMESA-N 1 0 391.943 3.773 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 ZINC001467674759 1067411859 /nfs/dbraw/zinc/41/18/59/1067411859.db2.gz AUBZAUQYQWQEDF-YPAWHYETSA-N 1 0 382.552 3.978 20 30 GHEDRO C=CCC1(CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001467724093 1067437605 /nfs/dbraw/zinc/43/76/05/1067437605.db2.gz HEHJVZIDEBRLTG-UHFFFAOYSA-N 1 0 398.595 3.630 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)NCc2ccc(SC)c(C#N)c2)[NH+](C)C)cc1 ZINC001468017064 1067566634 /nfs/dbraw/zinc/56/66/34/1067566634.db2.gz GGKIJBGPXOCWRD-FQEVSTJZSA-N 1 0 396.560 3.945 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001358878320 1067591167 /nfs/dbraw/zinc/59/11/67/1067591167.db2.gz VANFZXOYPAHXBV-ROUUACIJSA-N 1 0 391.519 3.881 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001358879486 1067592147 /nfs/dbraw/zinc/59/21/47/1067592147.db2.gz RYRVKDLEVJCTEO-BEFAXECRSA-N 1 0 395.482 3.746 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001358882553 1067594392 /nfs/dbraw/zinc/59/43/92/1067594392.db2.gz CBGLIQCTRZYDDQ-YLJYHZDGSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+](C)C1CCCC1 ZINC001358883282 1067594537 /nfs/dbraw/zinc/59/45/37/1067594537.db2.gz RKAANGJSXITOGX-INIZCTEOSA-N 1 0 385.943 3.931 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001358894683 1067601847 /nfs/dbraw/zinc/60/18/47/1067601847.db2.gz URMCUNRDIUENEJ-KGVIQGDOSA-N 1 0 399.608 3.899 20 30 GHEDRO C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@H+](C)C1CCCC1 ZINC001358940290 1067622050 /nfs/dbraw/zinc/62/20/50/1067622050.db2.gz UHBOOELHDRLZJC-UHFFFAOYSA-N 1 0 391.563 3.692 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C1CC1)[NH+](C)C ZINC001358941961 1067622518 /nfs/dbraw/zinc/62/25/18/1067622518.db2.gz DCVWAZQWGVDYTR-SFHVURJKSA-N 1 0 397.592 3.685 20 30 GHEDRO C=CCc1cc(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)cc(OC)c1OC ZINC001468188087 1067625772 /nfs/dbraw/zinc/62/57/72/1067625772.db2.gz PTJMUWDKHJTDCZ-UHFFFAOYSA-N 1 0 388.552 3.872 20 30 GHEDRO C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001358945982 1067626178 /nfs/dbraw/zinc/62/61/78/1067626178.db2.gz CJCIYWWWPGHMOP-SFHVURJKSA-N 1 0 390.535 3.616 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CC[N@H+](C)C1CCCCC1 ZINC001359068947 1067669704 /nfs/dbraw/zinc/66/97/04/1067669704.db2.gz VMAIZWQREWGOHK-HSZRJFAPSA-N 1 0 394.567 3.540 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359145548 1067707919 /nfs/dbraw/zinc/70/79/19/1067707919.db2.gz TVKSJFWGSVCSKG-QFBILLFUSA-N 1 0 385.943 3.933 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001359162372 1067717862 /nfs/dbraw/zinc/71/78/62/1067717862.db2.gz OLADZQSSIPOANC-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001359176459 1067735643 /nfs/dbraw/zinc/73/56/43/1067735643.db2.gz AEQQBBCHPNNSNM-QGZVFWFLSA-N 1 0 395.551 3.839 20 30 GHEDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(C4(C#N)CC4)cc3)SC2=S)CC1 ZINC000849174315 1067753555 /nfs/dbraw/zinc/75/35/55/1067753555.db2.gz PUQSITQCJOQZSR-SFQUDFHCSA-N 1 0 383.542 3.537 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359187890 1067754839 /nfs/dbraw/zinc/75/48/39/1067754839.db2.gz AUKHDSVAZGQVGK-GBESFXJTSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001359199281 1067766752 /nfs/dbraw/zinc/76/67/52/1067766752.db2.gz QMPYURHVLIZGFQ-QGZVFWFLSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001359211627 1067784490 /nfs/dbraw/zinc/78/44/90/1067784490.db2.gz JOJQLUUDFWFPMQ-SFHVURJKSA-N 1 0 390.535 3.990 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC001468640719 1067801961 /nfs/dbraw/zinc/80/19/61/1067801961.db2.gz VNZNWMMMENCGIH-RTWAWAEBSA-N 1 0 385.552 3.914 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CCCC1(C)C ZINC001468696428 1067830933 /nfs/dbraw/zinc/83/09/33/1067830933.db2.gz JOPDBNNZKSOSIB-NRFANRHFSA-N 1 0 384.568 3.715 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359243660 1067855742 /nfs/dbraw/zinc/85/57/42/1067855742.db2.gz YZNFPDHXCGVPDD-HXUWFJFHSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849485584 1067865788 /nfs/dbraw/zinc/86/57/88/1067865788.db2.gz HACXHLXAUBMCFC-WOJBJXKFSA-N 1 0 386.565 3.510 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849534230 1067900282 /nfs/dbraw/zinc/90/02/82/1067900282.db2.gz HJOYXKZPOREOSB-FCHUYYIVSA-N 1 0 386.584 3.829 20 30 GHEDRO C=CCN(c1nnc(COCC)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC001359253754 1067908440 /nfs/dbraw/zinc/90/84/40/1067908440.db2.gz SOHFFUMPZXSDAA-QZTJIDSGSA-N 1 0 389.588 3.726 20 30 GHEDRO C=CC[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccncc1 ZINC001468885044 1067918429 /nfs/dbraw/zinc/91/84/29/1067918429.db2.gz QZIRFQAGUYDKHE-XPWALMASSA-N 1 0 390.531 3.862 20 30 GHEDRO C=CCCC1(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCCC1 ZINC000849608942 1067919260 /nfs/dbraw/zinc/91/92/60/1067919260.db2.gz UJAJRCURWBKSIG-RTWAWAEBSA-N 1 0 386.584 3.877 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001359269403 1067934839 /nfs/dbraw/zinc/93/48/39/1067934839.db2.gz AAGFPQGAEBSZHE-UHFFFAOYSA-N 1 0 390.535 3.572 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359273404 1067941553 /nfs/dbraw/zinc/94/15/53/1067941553.db2.gz YYZNHKNGAGTZOF-HXUWFJFHSA-N 1 0 394.567 3.563 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359313944 1068027626 /nfs/dbraw/zinc/02/76/26/1068027626.db2.gz UBPKWVJQLVFKQU-HSALFYBXSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCC[N@H+]2CCC)C1 ZINC001359319806 1068030948 /nfs/dbraw/zinc/03/09/48/1068030948.db2.gz GFCOFXRYYGEFEZ-VQTJNVASSA-N 1 0 387.572 3.591 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359706089 1068147070 /nfs/dbraw/zinc/14/70/70/1068147070.db2.gz SBPQLWLUNNGSFX-UGKGYDQZSA-N 1 0 380.540 3.834 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001469498557 1068192608 /nfs/dbraw/zinc/19/26/08/1068192608.db2.gz BFKAKRXYYREHSC-XZOQPEGZSA-N 1 0 375.516 3.712 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359827328 1068209869 /nfs/dbraw/zinc/20/98/69/1068209869.db2.gz XPNKIGFAGXYPJB-UGKGYDQZSA-N 1 0 386.588 3.727 20 30 GHEDRO C=CC[C@@H]1CCCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001469579412 1068235972 /nfs/dbraw/zinc/23/59/72/1068235972.db2.gz KTFMXRACHQPPDB-OAQYLSRUSA-N 1 0 385.552 3.701 20 30 GHEDRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001359948583 1068275276 /nfs/dbraw/zinc/27/52/76/1068275276.db2.gz ORHGZZBCJZCSGN-LJQANCHMSA-N 1 0 388.604 3.973 20 30 GHEDRO CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCC1)C(C)C ZINC001359985476 1068296156 /nfs/dbraw/zinc/29/61/56/1068296156.db2.gz MCCKJWRYGCWVAI-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001469855785 1068431265 /nfs/dbraw/zinc/43/12/65/1068431265.db2.gz GSGSKGBOKJQZOQ-MGPUTAFESA-N 1 0 386.446 3.897 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001470249220 1068646035 /nfs/dbraw/zinc/64/60/35/1068646035.db2.gz JLBUONSXUSFJBS-SFHVURJKSA-N 1 0 394.519 3.574 20 30 GHEDRO CC(C)[C@@H](CO)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC001460125354 1068794980 /nfs/dbraw/zinc/79/49/80/1068794980.db2.gz MBMUBKXGQWIYJK-YLJYHZDGSA-N 1 0 391.581 3.706 20 30 GHEDRO C#CCNC(=O)CC[NH2+]C1(c2ccc(Br)c(C)c2)CCCCC1 ZINC001460247549 1068884196 /nfs/dbraw/zinc/88/41/96/1068884196.db2.gz ZGVMKMZRVFWHDR-UHFFFAOYSA-N 1 0 377.326 3.646 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)c2ccccc2)cc1 ZINC001460405572 1068954381 /nfs/dbraw/zinc/95/43/81/1068954381.db2.gz RHQVPLHHFFCSRL-QPPBQGQZSA-N 1 0 388.467 3.686 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c1C ZINC001460528231 1068988414 /nfs/dbraw/zinc/98/84/14/1068988414.db2.gz VLVZVQINYQUFDS-QFIPXVFZSA-N 1 0 390.531 3.761 20 30 GHEDRO COC[C@@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001460578272 1069006117 /nfs/dbraw/zinc/00/61/17/1069006117.db2.gz PTPCBJZQBSTVTQ-VGOFRKELSA-N 1 0 377.488 3.911 20 30 GHEDRO Cn1cnnc1CC1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC001460804958 1069192609 /nfs/dbraw/zinc/19/26/09/1069192609.db2.gz OGNDCSOCQISOIQ-UHFFFAOYSA-N 1 0 399.542 3.970 20 30 GHEDRO C#CC[N@@H+](CCCON1C(=O)c2ccccc2C1=O)[C@H]1CCCc2ccccc21 ZINC001460835262 1069210918 /nfs/dbraw/zinc/21/09/18/1069210918.db2.gz JSTHLRANKDNUPX-QFIPXVFZSA-N 1 0 388.467 3.617 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC001460934826 1069283354 /nfs/dbraw/zinc/28/33/54/1069283354.db2.gz WKZBMWPMGDGHNQ-MSOLQXFVSA-N 1 0 382.533 3.651 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1Cl ZINC001478520642 1078903491 /nfs/dbraw/zinc/90/34/91/1078903491.db2.gz GSXGYNKUICHYFZ-CTNGQTDRSA-N 1 0 394.906 3.628 20 30 GHEDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C[C@@]2(C)C1 ZINC001470673191 1072681840 /nfs/dbraw/zinc/68/18/40/1072681840.db2.gz BIWWVLSXCPMREE-DNQXCXABSA-N 1 0 389.499 3.551 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1)CC1CC1 ZINC001471143381 1072939860 /nfs/dbraw/zinc/93/98/60/1072939860.db2.gz HKEFGESIPMKPSX-HSZRJFAPSA-N 1 0 394.563 3.569 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3CCC4(CC4)CC3)CC2)c1 ZINC001478900353 1079020719 /nfs/dbraw/zinc/02/07/19/1079020719.db2.gz BJLSRFASEJXJII-UHFFFAOYSA-N 1 0 380.536 3.792 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001471568978 1073140161 /nfs/dbraw/zinc/14/01/61/1073140161.db2.gz WOGHWOOINZLWEC-LGKPFJOYSA-N 1 0 379.548 3.732 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(N2CCC[N@H+](CCCc3ccccc3)CC2)cc1F ZINC001472679195 1073612893 /nfs/dbraw/zinc/61/28/93/1073612893.db2.gz GFFWVBYTRKUAAH-UHFFFAOYSA-N 1 0 382.439 3.750 20 30 GHEDRO C#CCOCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001473371927 1073937770 /nfs/dbraw/zinc/93/77/70/1073937770.db2.gz LARFCGJSNCYEPW-FQEVSTJZSA-N 1 0 377.406 3.891 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](Cc2ccc(C)cc2)C(C)(C)C)c1 ZINC001473662846 1074072606 /nfs/dbraw/zinc/07/26/06/1074072606.db2.gz GQENTKDQRCDKAR-UHFFFAOYSA-N 1 0 377.488 3.925 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001473671669 1074077267 /nfs/dbraw/zinc/07/72/67/1074077267.db2.gz ZJDGFBWGAAWCDU-LJQANCHMSA-N 1 0 391.519 3.975 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)c(F)c1 ZINC001473984199 1074226265 /nfs/dbraw/zinc/22/62/65/1074226265.db2.gz VOCITEKMZYXLCC-UHFFFAOYSA-N 1 0 386.902 3.653 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001474200780 1074291468 /nfs/dbraw/zinc/29/14/68/1074291468.db2.gz RUEXUPVPDLGZHU-MJGOQNOKSA-N 1 0 380.492 3.559 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OCC)c2)C1 ZINC001474266182 1074317366 /nfs/dbraw/zinc/31/73/66/1074317366.db2.gz NYZUSUZQJULKJP-JOCHJYFZSA-N 1 0 378.516 3.852 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001474334464 1074349103 /nfs/dbraw/zinc/34/91/03/1074349103.db2.gz PXTLVIDWTNDTQT-APWZRJJASA-N 1 0 386.540 3.892 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC001474517183 1074444643 /nfs/dbraw/zinc/44/46/43/1074444643.db2.gz PYSFQYFIRXXADP-HXUWFJFHSA-N 1 0 378.476 3.577 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493512724 1079275197 /nfs/dbraw/zinc/27/51/97/1079275197.db2.gz WEUROQOHUXCESV-LLGFUMIMSA-N 1 0 383.544 3.522 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001474555556 1074461084 /nfs/dbraw/zinc/46/10/84/1074461084.db2.gz YADDITZJJMVGCW-UHFFFAOYSA-N 1 0 387.524 3.702 20 30 GHEDRO C#C[C@@H]([NH2+][C@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)C(C)(C)C ZINC001474563451 1074464016 /nfs/dbraw/zinc/46/40/16/1074464016.db2.gz PSKVAWPYPBDDIP-IUODEOHRSA-N 1 0 378.538 3.896 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)ccc1C#N ZINC001474589354 1074473532 /nfs/dbraw/zinc/47/35/32/1074473532.db2.gz YJXIFPTTXKTPFX-BXWFABGCSA-N 1 0 387.524 3.938 20 30 GHEDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(F)c1C#N ZINC001474652656 1074500341 /nfs/dbraw/zinc/50/03/41/1074500341.db2.gz PVEVYFUBFKPIGH-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001474700406 1074524091 /nfs/dbraw/zinc/52/40/91/1074524091.db2.gz WJSXCYBXTRJLKQ-IRXDYDNUSA-N 1 0 382.426 3.803 20 30 GHEDRO C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C1)[NH+]1CCCCC1 ZINC001493919870 1079308718 /nfs/dbraw/zinc/30/87/18/1079308718.db2.gz FSWIRECHCICZSP-OALUTQOASA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001495336346 1079401620 /nfs/dbraw/zinc/40/16/20/1079401620.db2.gz HNFNCWFMPMNGDM-SFHVURJKSA-N 1 0 392.551 3.590 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(C)C1 ZINC001496123689 1079457500 /nfs/dbraw/zinc/45/75/00/1079457500.db2.gz QWUMGONZADTHEJ-GOSISDBHSA-N 1 0 378.524 3.703 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1 ZINC001496144131 1079458174 /nfs/dbraw/zinc/45/81/74/1079458174.db2.gz VHCYLODHPFEALZ-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)CC#N ZINC001500530740 1079607555 /nfs/dbraw/zinc/60/75/55/1079607555.db2.gz HIBDJGAONBXLGE-MOPGFXCFSA-N 1 0 395.555 3.733 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1OC ZINC001560440945 1126210582 /nfs/dbraw/zinc/21/05/82/1126210582.db2.gz LKMVPNRVIMKSKQ-GOSISDBHSA-N 1 0 375.896 3.915 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1OC ZINC000819722185 599395982 /nfs/dbraw/zinc/39/59/82/599395982.db2.gz BKXOANMFOMMURQ-OAHLLOKOSA-N 1 0 379.464 3.681 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828257566 601300329 /nfs/dbraw/zinc/30/03/29/601300329.db2.gz GARMWDUWCUECEY-HTAPYJJXSA-N 1 0 377.488 3.848 20 30 GHEDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000821105226 606483119 /nfs/dbraw/zinc/48/31/19/606483119.db2.gz ZOBFBENSQMETJW-UHFFFAOYSA-N 1 0 398.417 3.752 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164389110 718814897 /nfs/dbraw/zinc/81/48/97/718814897.db2.gz SYYZCZOGIWPXDS-CYBMUJFWSA-N 1 0 394.775 3.662 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C#C[Si](C)(C)C)ccn1)[C@@H]2C ZINC001164863648 721019543 /nfs/dbraw/zinc/01/95/43/721019543.db2.gz UOCFDZPTACQASO-GOSISDBHSA-N 1 0 395.627 3.928 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)C[C@@H]21 ZINC001165026062 721820774 /nfs/dbraw/zinc/82/07/74/721820774.db2.gz PAAVZGQKJHDDMC-LKUPVBHCSA-N 1 0 386.503 3.566 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[NH+](C3CCCC3)CC2)cc1F ZINC001165029083 721856564 /nfs/dbraw/zinc/85/65/64/721856564.db2.gz QNGVJPUKVYIYEE-UHFFFAOYSA-N 1 0 385.874 3.872 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)C1 ZINC001165038302 721899519 /nfs/dbraw/zinc/89/95/19/721899519.db2.gz PQTVKXVBNMDJBE-OAHLLOKOSA-N 1 0 391.853 3.744 20 30 GHEDRO N#Cc1c[nH]c2nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ccc12 ZINC001164993821 722201678 /nfs/dbraw/zinc/20/16/78/722201678.db2.gz BYLUSHMXYCZJFW-JOCHJYFZSA-N 1 0 375.451 3.819 20 30 GHEDRO C[NH+](C)Cc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000580789791 837417656 /nfs/dbraw/zinc/41/76/56/837417656.db2.gz HCADEEQECXDVCH-UHFFFAOYSA-N 1 0 386.455 3.846 20 30 GHEDRO N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)nc1 ZINC000580933330 837430693 /nfs/dbraw/zinc/43/06/93/837430693.db2.gz STCSQBQHHSTGDA-MNLRITNHSA-N 1 0 396.535 3.557 20 30 GHEDRO Cc1cc(C)cc(-c2ccc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)cc2)c1 ZINC000255077953 837582013 /nfs/dbraw/zinc/58/20/13/837582013.db2.gz SMNDAQVJLLKVPD-GHVJWSGMSA-N 1 0 375.472 3.586 20 30 GHEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000608860512 837604922 /nfs/dbraw/zinc/60/49/22/837604922.db2.gz SDEKTERKPMSLDI-DEOSSOPVSA-N 1 0 393.531 3.841 20 30 GHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1(C#N)CCOCC1 ZINC000375610988 837689285 /nfs/dbraw/zinc/68/92/85/837689285.db2.gz HXPBCDSSJWDWJR-YQQQUEKLSA-N 1 0 391.556 3.997 20 30 GHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)O1 ZINC000581842587 837730759 /nfs/dbraw/zinc/73/07/59/837730759.db2.gz RNXDTAVSBJXEEL-CABCVRRESA-N 1 0 375.538 3.717 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(c3cccs3)CCCCC2)cc1 ZINC000581939398 837767105 /nfs/dbraw/zinc/76/71/05/837767105.db2.gz ZGXXJZWPGNTVBZ-UHFFFAOYSA-N 1 0 388.558 3.885 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)CC1 ZINC001211488945 834469922 /nfs/dbraw/zinc/46/99/22/834469922.db2.gz OKYKHRCATHRWLX-UHFFFAOYSA-N 1 0 395.544 3.529 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000176890852 837781303 /nfs/dbraw/zinc/78/13/03/837781303.db2.gz VCFOIAQQXOKGEO-AVRDEDQJSA-N 1 0 388.515 3.895 20 30 GHEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000262390151 834571337 /nfs/dbraw/zinc/57/13/37/834571337.db2.gz YSJSECUOIQOALI-QGZVFWFLSA-N 1 0 388.899 3.531 20 30 GHEDRO COc1cccc([C@H](C)CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000177137275 837788349 /nfs/dbraw/zinc/78/83/49/837788349.db2.gz ARZOPBZUFIHLMK-GOSISDBHSA-N 1 0 379.504 3.651 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)nc1 ZINC000430151961 834610754 /nfs/dbraw/zinc/61/07/54/834610754.db2.gz BPJKQIZSOLUCSC-LJQANCHMSA-N 1 0 390.399 3.775 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245496271 834622246 /nfs/dbraw/zinc/62/22/46/834622246.db2.gz RCDIDPHYIBBPOL-OTWHNJEPSA-N 1 0 375.582 3.598 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565048775 834623404 /nfs/dbraw/zinc/62/34/04/834623404.db2.gz MNVLSNODBIHDMO-RTBURBONSA-N 1 0 377.598 3.623 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278771921 834639259 /nfs/dbraw/zinc/63/92/59/834639259.db2.gz YHDZBPCBSOJMBG-FCHUYYIVSA-N 1 0 387.487 3.869 20 30 GHEDRO C=CC[N@@H+](CC/C=C/c1cncc(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000583562079 834649033 /nfs/dbraw/zinc/64/90/33/834649033.db2.gz ZHVDAKHYMPYIHK-KRZKXXONSA-N 1 0 390.491 3.718 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CC(c2ccccc2)C1 ZINC000077533757 834662750 /nfs/dbraw/zinc/66/27/50/834662750.db2.gz OOLKXJAGWSHOEC-UHFFFAOYSA-N 1 0 376.504 3.578 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000583579875 834678937 /nfs/dbraw/zinc/67/89/37/834678937.db2.gz LZYDUYAORUQLDX-VXKWHMMOSA-N 1 0 393.531 3.538 20 30 GHEDRO CCCCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000430168146 834732260 /nfs/dbraw/zinc/73/22/60/834732260.db2.gz HQPGHQDNYPCJMF-IBGZPJMESA-N 1 0 381.476 3.794 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000430174913 834760166 /nfs/dbraw/zinc/76/01/66/834760166.db2.gz AQQXCWUJYBUPQF-NRFANRHFSA-N 1 0 386.455 3.581 20 30 GHEDRO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329296900 834788017 /nfs/dbraw/zinc/78/80/17/834788017.db2.gz OXYVLRGINLCJEY-PZJWPPBQSA-N 1 0 385.552 3.801 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000329326396 834842095 /nfs/dbraw/zinc/84/20/95/834842095.db2.gz JHEWVIGVQRFYFN-IEBWSBKVSA-N 1 0 383.536 3.960 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccccc2OCC[NH+](C)C)cc1C#N ZINC000157828764 834889412 /nfs/dbraw/zinc/88/94/12/834889412.db2.gz AGWZGOJYSCQTMH-UHFFFAOYSA-N 1 0 396.491 3.608 20 30 GHEDRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000329388750 834954099 /nfs/dbraw/zinc/95/40/99/834954099.db2.gz UFPVTXARMSFURC-TZIWHRDSSA-N 1 0 383.536 3.745 20 30 GHEDRO C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Oc1ccccc1Br ZINC000176990998 837831631 /nfs/dbraw/zinc/83/16/31/837831631.db2.gz WHKCXLDNAHYIRO-CYBMUJFWSA-N 1 0 385.265 3.526 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC000064805560 835006510 /nfs/dbraw/zinc/00/65/10/835006510.db2.gz GXARNPNKWSBDOR-WFHLNLCJSA-N 1 0 399.535 3.850 20 30 GHEDRO O[C@H](CC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000685458190 835023502 /nfs/dbraw/zinc/02/35/02/835023502.db2.gz QTHBNHJNDUXZKY-MNOVXSKESA-N 1 0 399.253 3.962 20 30 GHEDRO Cn1c(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)nc2cccc(Cl)c21 ZINC000274760444 835098942 /nfs/dbraw/zinc/09/89/42/835098942.db2.gz JYJJMCUNNWAUCL-UHFFFAOYSA-N 1 0 393.922 3.853 20 30 GHEDRO CC1CCC([NH+]2CCN(C(=O)Nc3ccccc3N3CCCC3=O)CC2)CC1 ZINC000329474356 835104125 /nfs/dbraw/zinc/10/41/25/835104125.db2.gz STYNQKPSMKYKCF-UHFFFAOYSA-N 1 0 384.524 3.555 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000274787891 835270968 /nfs/dbraw/zinc/27/09/68/835270968.db2.gz BKMCMHZASLXACP-UTKZUKDTSA-N 1 0 387.487 3.608 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401368 835352927 /nfs/dbraw/zinc/35/29/27/835352927.db2.gz UTUSSLHESBJFMV-AEFFLSMTSA-N 1 0 398.482 3.644 20 30 GHEDRO C=CCc1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000248115457 835398950 /nfs/dbraw/zinc/39/89/50/835398950.db2.gz ILHAQNFSACEOMG-UHFFFAOYSA-N 1 0 398.503 3.762 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000433361333 844051705 /nfs/dbraw/zinc/05/17/05/844051705.db2.gz CJEVUSCYYYGZPO-IBGZPJMESA-N 1 0 378.438 3.970 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1C#N ZINC000052753531 835457452 /nfs/dbraw/zinc/45/74/52/835457452.db2.gz WXLHUUCRDXFHBY-SFHVURJKSA-N 1 0 398.551 3.921 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000612131529 835580566 /nfs/dbraw/zinc/58/05/66/835580566.db2.gz YSBVGSIDYOWJIA-FPOVZHCZSA-N 1 0 383.536 3.687 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](CO)C(C)(C)C ZINC000134428521 835711917 /nfs/dbraw/zinc/71/19/17/835711917.db2.gz MKYDNTOPGMYKHN-KRWDZBQOSA-N 1 0 377.554 3.556 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000647403281 835728659 /nfs/dbraw/zinc/72/86/59/835728659.db2.gz HCXJCXDYGHYFDN-AZUAARDMSA-N 1 0 389.588 3.695 20 30 GHEDRO CC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1F ZINC000278702274 835837769 /nfs/dbraw/zinc/83/77/69/835837769.db2.gz QZFKNCMGQHIZJZ-IBGZPJMESA-N 1 0 393.466 3.945 20 30 GHEDRO CC(C)N(C(=O)c1ccccc1OCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843696718 844095120 /nfs/dbraw/zinc/09/51/20/844095120.db2.gz YMXMWDUJRQRMKO-FQEVSTJZSA-N 1 0 377.488 3.714 20 30 GHEDRO Cc1c(O)ccc2c(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)cc(=O)oc12 ZINC000728929605 844105720 /nfs/dbraw/zinc/10/57/20/844105720.db2.gz NQKUFPMMHWUZLN-UHFFFAOYSA-N 1 0 390.439 3.722 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000092534413 844105657 /nfs/dbraw/zinc/10/56/57/844105657.db2.gz NAIYHWUIZNGDED-UHFFFAOYSA-N 1 0 378.516 3.919 20 30 GHEDRO CCOC(=O)C(C)(C)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000510159571 836126289 /nfs/dbraw/zinc/12/62/89/836126289.db2.gz MZZNOHBJMHUPPP-GOSISDBHSA-N 1 0 399.535 3.623 20 30 GHEDRO Cn1c2ccccc2c(Cl)c1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930538 836255159 /nfs/dbraw/zinc/25/51/59/836255159.db2.gz ZJBQWSKTKOSISV-UHFFFAOYSA-N 1 0 394.906 3.907 20 30 GHEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000613389831 836271480 /nfs/dbraw/zinc/27/14/80/836271480.db2.gz UDFZQTCPIVWRDU-DNVCBOLYSA-N 1 0 397.544 3.581 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000177473190 836612048 /nfs/dbraw/zinc/61/20/48/836612048.db2.gz FSFOJDXUFSHJRJ-QGZVFWFLSA-N 1 0 395.330 3.708 20 30 GHEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000548487930 844188848 /nfs/dbraw/zinc/18/88/48/844188848.db2.gz UYPBYPMGQPZTJI-UYAOXDASSA-N 1 0 388.556 3.900 20 30 GHEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000548487925 844189073 /nfs/dbraw/zinc/18/90/73/844189073.db2.gz UYPBYPMGQPZTJI-AZUAARDMSA-N 1 0 388.556 3.900 20 30 GHEDRO CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000413913422 836766565 /nfs/dbraw/zinc/76/65/65/836766565.db2.gz PFVLLMYFVWNLSA-OAHLLOKOSA-N 1 0 384.446 3.610 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000180234817 836789619 /nfs/dbraw/zinc/78/96/19/836789619.db2.gz BRYGFKVNBWWKBE-GAJHUEQPSA-N 1 0 399.498 3.899 20 30 GHEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452036180 836823503 /nfs/dbraw/zinc/82/35/03/836823503.db2.gz PDJIUUSOASUTAI-IAGOWNOFSA-N 1 0 375.538 3.764 20 30 GHEDRO Cn1cc(C[NH2+]CCSCc2ccccc2C#N)c(-c2ccc(C#N)cc2)n1 ZINC000180036288 836837557 /nfs/dbraw/zinc/83/75/57/836837557.db2.gz XXDFZHMMFFEVAW-UHFFFAOYSA-N 1 0 387.512 3.853 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H](C)C1 ZINC000610782406 844207986 /nfs/dbraw/zinc/20/79/86/844207986.db2.gz HEEVFVOKEZMERI-OXJNMPFZSA-N 1 0 393.491 3.940 20 30 GHEDRO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000510933367 844214622 /nfs/dbraw/zinc/21/46/22/844214622.db2.gz ZVGKQFMZAFKCSA-VFNWGFHPSA-N 1 0 383.442 3.943 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC001218245534 836963803 /nfs/dbraw/zinc/96/38/03/836963803.db2.gz GRQUDLPXGFWJDL-OPQQBVKSSA-N 1 0 386.087 3.603 20 30 GHEDRO COC(=O)[C@@H](c1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510250621 837009439 /nfs/dbraw/zinc/00/94/39/837009439.db2.gz WGFBVRRPZBCBLY-OAQYLSRUSA-N 1 0 397.906 3.634 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CCc2ccccc2F)[C@H](C)CC)c1 ZINC001167244675 837017305 /nfs/dbraw/zinc/01/73/05/837017305.db2.gz XXJCYFWMHHLUHM-QGZVFWFLSA-N 1 0 395.478 3.798 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000027059416 837024498 /nfs/dbraw/zinc/02/44/98/837024498.db2.gz RMXVNKKBYSKMHZ-UHFFFAOYSA-O 1 0 383.537 3.995 20 30 GHEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1cnc2c(C#N)cnn2c1 ZINC000582905883 837035076 /nfs/dbraw/zinc/03/50/76/837035076.db2.gz WOMZDMOUJNRJSP-UHFFFAOYSA-N 1 0 399.502 3.836 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C)cc1 ZINC000027325681 837043338 /nfs/dbraw/zinc/04/33/38/837043338.db2.gz KYTZLHHXNSQQFV-UHFFFAOYSA-O 1 0 386.541 3.759 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2csc(C(F)(F)F)n2)CC1 ZINC000893890973 844239508 /nfs/dbraw/zinc/23/95/08/844239508.db2.gz RANSGMSBIRSUSG-UHFFFAOYSA-N 1 0 382.411 3.908 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@@H]2CCCO2)c1 ZINC000028782047 837151229 /nfs/dbraw/zinc/15/12/29/837151229.db2.gz CQZHPDBXWMFUME-IBGZPJMESA-O 1 0 383.537 3.607 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000540982484 837350790 /nfs/dbraw/zinc/35/07/90/837350790.db2.gz AAGDAZNOVCSGCF-LEOXJPRUSA-N 1 0 394.563 3.686 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(-n2ccnn2)cc1 ZINC000181232073 837876627 /nfs/dbraw/zinc/87/66/27/837876627.db2.gz LTKOXELMEWSOPV-ZDUSSCGKSA-N 1 0 382.265 3.752 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000177565567 837970597 /nfs/dbraw/zinc/97/05/97/837970597.db2.gz QEGAEOZLEJYQDM-SFTDATJTSA-N 1 0 377.488 3.740 20 30 GHEDRO COc1cccc([C@H](C)CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000177574336 837977968 /nfs/dbraw/zinc/97/79/68/837977968.db2.gz KCZYXGANENDCME-LJQANCHMSA-N 1 0 391.515 3.795 20 30 GHEDRO C[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000415704543 838005776 /nfs/dbraw/zinc/00/57/76/838005776.db2.gz SECPIUSPMCTUIK-QAPCUYQASA-N 1 0 394.523 3.633 20 30 GHEDRO Cc1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1NC(=O)c1cccc(C#N)c1 ZINC001167311338 838128328 /nfs/dbraw/zinc/12/83/28/838128328.db2.gz IJGSRKKLQCPZBY-UHFFFAOYSA-N 1 0 381.439 3.917 20 30 GHEDRO Cc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000025252018 844301969 /nfs/dbraw/zinc/30/19/69/844301969.db2.gz ULNFIMFRIXOEFK-IAGOWNOFSA-N 1 0 377.492 3.579 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000187818888 838238112 /nfs/dbraw/zinc/23/81/12/838238112.db2.gz YUFXEPJHPABLMA-UHFFFAOYSA-N 1 0 385.552 3.858 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415975254 838353090 /nfs/dbraw/zinc/35/30/90/838353090.db2.gz SLWBUBMOZKIVMF-UHFFFAOYSA-N 1 0 397.397 3.860 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189719024 838386379 /nfs/dbraw/zinc/38/63/79/838386379.db2.gz GJFJAGBOYYSMRX-UHFFFAOYSA-N 1 0 389.478 3.654 20 30 GHEDRO C[C@@H](OC[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000376595681 838415159 /nfs/dbraw/zinc/41/51/59/838415159.db2.gz PWCQBMZJCIBRIW-YLJYHZDGSA-N 1 0 399.922 3.731 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000376595742 838416229 /nfs/dbraw/zinc/41/62/29/838416229.db2.gz QNEVBUPNJJBWLZ-FQEVSTJZSA-N 1 0 387.483 3.532 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000103500225 838557596 /nfs/dbraw/zinc/55/75/96/838557596.db2.gz BNXDFPTZQQEAED-IRXDYDNUSA-N 1 0 389.565 3.807 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CCOc3cccc(C#N)c3)CCN2C2CC2)c1 ZINC000549119551 838677625 /nfs/dbraw/zinc/67/76/25/838677625.db2.gz YXCAEPWBQXJZSY-XZOQPEGZSA-N 1 0 377.488 3.513 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416237894 838794575 /nfs/dbraw/zinc/79/45/75/838794575.db2.gz CYLLINPKDVQJMB-UHFFFAOYSA-N 1 0 380.536 3.817 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000535753097 844382166 /nfs/dbraw/zinc/38/21/66/844382166.db2.gz WITGHEMHULPRQA-FQEVSTJZSA-N 1 0 397.519 3.976 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)Cc2c(F)cccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000579480560 839043558 /nfs/dbraw/zinc/04/35/58/839043558.db2.gz GOLCGOVNWXSWLP-IEBWSBKVSA-N 1 0 379.479 3.657 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000555548173 861191415 /nfs/dbraw/zinc/19/14/15/861191415.db2.gz IRFJYRZDWURFMQ-IFXJQAMLSA-N 1 0 383.879 3.672 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000415074451 839171037 /nfs/dbraw/zinc/17/10/37/839171037.db2.gz AAFBRXLBFNFFSE-NVXWUHKLSA-N 1 0 394.475 3.950 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415082439 839177892 /nfs/dbraw/zinc/17/78/92/839177892.db2.gz LSMMLWAQWQENIE-VQIMIIECSA-N 1 0 394.475 3.998 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415082988 839179481 /nfs/dbraw/zinc/17/94/81/839179481.db2.gz MOBVHHBAJXZRCN-DLBZAZTESA-N 1 0 394.475 3.998 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415111591 839213178 /nfs/dbraw/zinc/21/31/78/839213178.db2.gz ABTFKJQHROVBOT-IEBWSBKVSA-N 1 0 378.476 3.695 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1C ZINC000378504282 839244379 /nfs/dbraw/zinc/24/43/79/839244379.db2.gz OXESSLWLEWAJIE-ZJSXRUAMSA-N 1 0 391.515 3.918 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000415152532 839295110 /nfs/dbraw/zinc/29/51/10/839295110.db2.gz BWRGQQMNBHBGSJ-KRWDZBQOSA-N 1 0 382.533 3.974 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC000892880854 839309486 /nfs/dbraw/zinc/30/94/86/839309486.db2.gz MHLDAFQTASWOIC-BRWVUGGUSA-N 1 0 376.463 3.527 20 30 GHEDRO C[C@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894064690 844452975 /nfs/dbraw/zinc/45/29/75/844452975.db2.gz VKKVZOZGXZSRHW-QFBILLFUSA-N 1 0 382.533 3.672 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892973909 839771289 /nfs/dbraw/zinc/77/12/89/839771289.db2.gz YIKJQMTYRONQAF-CQSZACIVSA-N 1 0 376.254 3.520 20 30 GHEDRO C[C@H](CCc1n[nH]c2ccccc12)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541155267 839774621 /nfs/dbraw/zinc/77/46/21/839774621.db2.gz MLKYVYDAVRVRGS-OPAMFIHVSA-N 1 0 387.487 3.541 20 30 GHEDRO COC(=O)CCC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000580615202 839902408 /nfs/dbraw/zinc/90/24/08/839902408.db2.gz AMAIFWGEICQCLS-IBGZPJMESA-N 1 0 399.535 3.604 20 30 GHEDRO COc1cccc([C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N(C)C)c1 ZINC000160606982 840034949 /nfs/dbraw/zinc/03/49/49/840034949.db2.gz AYZZYFFPHDMHKV-INIZCTEOSA-N 1 0 396.413 3.623 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000046938100 844504968 /nfs/dbraw/zinc/50/49/68/844504968.db2.gz IAGJNYSSUASQHX-QFIPXVFZSA-N 1 0 390.531 3.752 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416780908 840150052 /nfs/dbraw/zinc/15/00/52/840150052.db2.gz ZGMUTWVDTVJYTA-OAQYLSRUSA-N 1 0 378.476 3.698 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561185845 840278495 /nfs/dbraw/zinc/27/84/95/840278495.db2.gz KOSSTQGLWNVCAT-AZIXLERZSA-N 1 0 388.515 3.974 20 30 GHEDRO CSc1cccc([C@H](NCCn2cnc(C#N)n2)c2cc(F)ccc2F)c1 ZINC000580849633 840337207 /nfs/dbraw/zinc/33/72/07/840337207.db2.gz MXWLXVWKVJPJPJ-IBGZPJMESA-N 1 0 385.443 3.529 20 30 GHEDRO [NH2+]=C(NCc1ccc(-n2cccn2)cc1)Nc1ccccc1OC(F)(F)F ZINC000160668008 840349662 /nfs/dbraw/zinc/34/96/62/840349662.db2.gz MDPPRSFPHLZSNL-UHFFFAOYSA-N 1 0 375.354 3.698 20 30 GHEDRO CC(C)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+]1CCCCC1 ZINC000048178602 840359327 /nfs/dbraw/zinc/35/93/27/840359327.db2.gz WAXWLNFPQVEZRY-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417362522 840768889 /nfs/dbraw/zinc/76/88/89/840768889.db2.gz ADCSYZWPBOHGNF-VLIAUNLRSA-N 1 0 378.432 3.851 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000511797995 840801195 /nfs/dbraw/zinc/80/11/95/840801195.db2.gz XVIVJXKEPLLKSO-RXVVDRJESA-N 1 0 391.515 3.523 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1OC ZINC000124301950 840871393 /nfs/dbraw/zinc/87/13/93/840871393.db2.gz VABQTIUSUWPKEI-GOEBONIOSA-N 1 0 384.314 3.663 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511825735 840873283 /nfs/dbraw/zinc/87/32/83/840873283.db2.gz YKTLEIOEMKFYLT-AOIWGVFYSA-N 1 0 381.442 3.986 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)c1 ZINC000584789383 840874254 /nfs/dbraw/zinc/87/42/54/840874254.db2.gz WNEWWOJDUGHDBD-UHFFFAOYSA-N 1 0 385.552 3.776 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000706840790 840953081 /nfs/dbraw/zinc/95/30/81/840953081.db2.gz RMVDGKLMIOEBJQ-UHFFFAOYSA-N 1 0 382.305 3.639 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3CC#N)cc2)CC1 ZINC000584848231 841064951 /nfs/dbraw/zinc/06/49/51/841064951.db2.gz LPAQWETZVIQZTO-UHFFFAOYSA-N 1 0 382.895 3.800 20 30 GHEDRO C=CCn1c(C)cc(C(=O)CN2CCC=C(c3cn(C(C)C)nn3)CC2)c1C ZINC000660716050 841131069 /nfs/dbraw/zinc/13/10/69/841131069.db2.gz QTTWVEWEXVOZRX-UHFFFAOYSA-N 1 0 381.524 3.825 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C2CCN(CC#N)CC2)CCC3)cc1 ZINC000610813812 844613498 /nfs/dbraw/zinc/61/34/98/844613498.db2.gz UGKVYRHWPMZAML-GOSISDBHSA-N 1 0 382.533 3.774 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000925621196 841197412 /nfs/dbraw/zinc/19/74/12/841197412.db2.gz FZKNPBUPCGTFPK-IRXDYDNUSA-N 1 0 379.545 3.853 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000549526883 841350232 /nfs/dbraw/zinc/35/02/32/841350232.db2.gz CSNGNPLRXYCXMU-SUMWQHHRSA-N 1 0 376.298 3.792 20 30 GHEDRO CNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc2c(c1)CCCC2 ZINC000027302080 841377049 /nfs/dbraw/zinc/37/70/49/841377049.db2.gz OMHHYZQAIHWEKL-UHFFFAOYSA-O 1 0 379.549 3.890 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000661117542 841420851 /nfs/dbraw/zinc/42/08/51/841420851.db2.gz RSQOGGOGTIPLBN-HOCLYGCPSA-N 1 0 387.480 3.987 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000661117540 841421171 /nfs/dbraw/zinc/42/11/71/841421171.db2.gz RSQOGGOGTIPLBN-GDBMZVCRSA-N 1 0 387.480 3.987 20 30 GHEDRO COc1ccc2[nH]cc(C3CCN(C(=O)N[C@@H]4CC[N@@H+]5CCCC[C@@H]45)CC3)c2c1 ZINC000328799290 841649437 /nfs/dbraw/zinc/64/94/37/841649437.db2.gz HAERKFJZJIYFNC-YADHBBJMSA-N 1 0 396.535 3.897 20 30 GHEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000500234885 841707940 /nfs/dbraw/zinc/70/79/40/841707940.db2.gz XOVURCUENIHURE-QFIPXVFZSA-N 1 0 399.498 3.698 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418377854 841907813 /nfs/dbraw/zinc/90/78/13/841907813.db2.gz BTHPHDVRSQHUSN-UHFFFAOYSA-N 1 0 380.467 3.679 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000046920529 841914121 /nfs/dbraw/zinc/91/41/21/841914121.db2.gz HOOBNIXIJIECBC-UHFFFAOYSA-N 1 0 387.487 3.925 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510447888 841977146 /nfs/dbraw/zinc/97/71/46/841977146.db2.gz YCLVNOAWHGWQLY-GZRZCRQQSA-N 1 0 393.535 3.602 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664510 842004487 /nfs/dbraw/zinc/00/44/87/842004487.db2.gz AEPFFKHZKWWINE-RCZSKKKRSA-N 1 0 398.572 3.749 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661668196 842009207 /nfs/dbraw/zinc/00/92/07/842009207.db2.gz SLYQUYFWDWARIF-UHFFFAOYSA-N 1 0 392.547 3.734 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000121432538 842020719 /nfs/dbraw/zinc/02/07/19/842020719.db2.gz DUKLOCTXFHFONL-UHFFFAOYSA-N 1 0 379.439 3.860 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000328807998 842031456 /nfs/dbraw/zinc/03/14/56/842031456.db2.gz IMOPWOGLPMEYOU-QGZVFWFLSA-N 1 0 387.524 3.601 20 30 GHEDRO C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329304307 861265675 /nfs/dbraw/zinc/26/56/75/861265675.db2.gz XWSHPSDRPSGQEB-FYZZASKESA-N 1 0 398.551 3.642 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc(C#N)c1 ZINC000432335344 842075517 /nfs/dbraw/zinc/07/55/17/842075517.db2.gz KBZLAXWYHCEFKZ-UGSOOPFHSA-N 1 0 384.277 3.777 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000066905638 842082657 /nfs/dbraw/zinc/08/26/57/842082657.db2.gz SBQPUOFSMFNOCJ-JOCHJYFZSA-N 1 0 385.467 3.993 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CCCC1 ZINC000661851921 842235718 /nfs/dbraw/zinc/23/57/18/842235718.db2.gz XVCFARGDDZJYTB-IBGZPJMESA-N 1 0 384.520 3.990 20 30 GHEDRO CC1(C)Cc2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc2O1 ZINC000843574407 842237129 /nfs/dbraw/zinc/23/71/29/842237129.db2.gz QTPJODIAMPMAGN-UHFFFAOYSA-N 1 0 389.499 3.688 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](CCCC(C)(C)C#N)C2(CCOCC2)CC1 ZINC000933519706 842323868 /nfs/dbraw/zinc/32/38/68/842323868.db2.gz OIHJNBFQINHPMF-UHFFFAOYSA-N 1 0 379.545 3.808 20 30 GHEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000329334275 861297506 /nfs/dbraw/zinc/29/75/06/861297506.db2.gz KRQOIOFCXKPARV-QAPCUYQASA-N 1 0 383.496 3.875 20 30 GHEDRO CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000613862835 842426291 /nfs/dbraw/zinc/42/62/91/842426291.db2.gz QYFZMRBDORISSW-PGRDOPGGSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCC(F)CC1 ZINC000662002773 842474947 /nfs/dbraw/zinc/47/49/47/842474947.db2.gz YJRNPUXCXKGEOP-MXWWQKGMSA-N 1 0 384.417 3.680 20 30 GHEDRO CC(C)(CO)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000182049814 842511675 /nfs/dbraw/zinc/51/16/75/842511675.db2.gz AUPYZAIFAHRVHI-DEOSSOPVSA-N 1 0 391.559 3.915 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)CC1 ZINC000408332278 842515503 /nfs/dbraw/zinc/51/55/03/842515503.db2.gz WAZBQHPKBDRQBC-SFHVURJKSA-N 1 0 377.536 3.652 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000656984805 842544394 /nfs/dbraw/zinc/54/43/94/842544394.db2.gz OMQYTKMEKOREAQ-ZDUSSCGKSA-N 1 0 396.329 3.866 20 30 GHEDRO C#CCN(C(=S)Nc1ccc(OC(F)F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000899613833 861332044 /nfs/dbraw/zinc/33/20/44/861332044.db2.gz QHIXRLVSCJBZCB-UHFFFAOYSA-N 1 0 387.883 3.668 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000603889877 861333179 /nfs/dbraw/zinc/33/31/79/861333179.db2.gz BGCFLQGDKUVIDO-WOJBJXKFSA-N 1 0 375.472 3.659 20 30 GHEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329372033 861340730 /nfs/dbraw/zinc/34/07/30/861340730.db2.gz MJXATEDDSFLLAT-TWWGPRNNSA-N 1 0 394.519 3.842 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000329369398 861336094 /nfs/dbraw/zinc/33/60/94/861336094.db2.gz IFNPNAKHXZQOHZ-PWRODBHTSA-N 1 0 389.515 3.645 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178318532 842827238 /nfs/dbraw/zinc/82/72/38/842827238.db2.gz QJYOOOSOHUYRSR-UHFFFAOYSA-N 1 0 377.488 3.628 20 30 GHEDRO CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328906960 842861838 /nfs/dbraw/zinc/86/18/38/842861838.db2.gz LERSSVWJLSHIMA-HIFRSBDPSA-N 1 0 382.302 3.801 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)cc1 ZINC000603901189 861356576 /nfs/dbraw/zinc/35/65/76/861356576.db2.gz CYJGAUKWKYMSDK-ODOSVJCGSA-N 1 0 379.504 3.817 20 30 GHEDRO COc1cc2c(c(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)c1)O[C@@H](C)C2 ZINC000510525741 842905008 /nfs/dbraw/zinc/90/50/08/842905008.db2.gz WIXTWGUNMXTSAQ-INIZCTEOSA-N 1 0 378.472 3.934 20 30 GHEDRO Cc1cc2cc(CNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2[nH]1 ZINC000512205171 843087588 /nfs/dbraw/zinc/08/75/88/843087588.db2.gz YCRRLIIKRHFMPH-UHFFFAOYSA-N 1 0 389.503 3.621 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599594902 861379300 /nfs/dbraw/zinc/37/93/00/861379300.db2.gz MUWVBMMIQQVDCA-IERDGZPVSA-N 1 0 389.565 3.940 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)CCC[NH2+]1 ZINC000662434334 843235248 /nfs/dbraw/zinc/23/52/48/843235248.db2.gz PNZMNZXBFXDUNC-JOCHJYFZSA-N 1 0 379.460 3.584 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CCC[NH2+]1 ZINC000662487389 843324413 /nfs/dbraw/zinc/32/44/13/843324413.db2.gz BIEAATFICKTSDL-JOCHJYFZSA-N 1 0 381.451 3.644 20 30 GHEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(Oc3ccccc3)c(C#N)c1)C2 ZINC000599607322 861404810 /nfs/dbraw/zinc/40/48/10/861404810.db2.gz WFOVWKNOWDWEGM-SZPZYZBQSA-N 1 0 376.460 3.814 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccc(F)c3OC)CC2)C1 ZINC001143525261 843338833 /nfs/dbraw/zinc/33/88/33/843338833.db2.gz QXBRBNUJTVGCOM-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000131482350 861411426 /nfs/dbraw/zinc/41/14/26/861411426.db2.gz GYDTXSFKJNSHEX-UHFFFAOYSA-N 1 0 389.908 3.917 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCC[NH2+]1 ZINC000662549011 843409196 /nfs/dbraw/zinc/40/91/96/843409196.db2.gz NBHWUGFTFJLLHA-JOCHJYFZSA-N 1 0 381.451 3.644 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)CC1 ZINC001266920607 843445059 /nfs/dbraw/zinc/44/50/59/843445059.db2.gz KYRGAVKOGSIGKM-IBGZPJMESA-N 1 0 376.500 3.788 20 30 GHEDRO C=CC[C@]1(C(=O)NCc2ccc(Oc3ccccc3OCC)nc2)CCC[NH2+]1 ZINC000662676103 843510329 /nfs/dbraw/zinc/51/03/29/843510329.db2.gz YJCOSWIFWMQKNU-JOCHJYFZSA-N 1 0 381.476 3.587 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000067042648 843545653 /nfs/dbraw/zinc/54/56/53/843545653.db2.gz BTNBDUACKCSYHK-UHFFFAOYSA-N 1 0 375.516 3.592 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1F ZINC000510831641 843588794 /nfs/dbraw/zinc/58/87/94/843588794.db2.gz UYJGEHWOLZJJGF-MJGOQNOKSA-N 1 0 387.405 3.664 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000500574739 843663429 /nfs/dbraw/zinc/66/34/29/843663429.db2.gz FOOCDYYYBAHAMS-UHFFFAOYSA-N 1 0 390.462 3.837 20 30 GHEDRO C[C@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512438958 843807316 /nfs/dbraw/zinc/80/73/16/843807316.db2.gz MAJSUAXIFDUMFC-OAQYLSRUSA-N 1 0 389.565 3.844 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000512830421 843824507 /nfs/dbraw/zinc/82/45/07/843824507.db2.gz ZUGVRSXCDIZBHB-GOSISDBHSA-N 1 0 390.409 3.785 20 30 GHEDRO [NH2+]=C(NCc1ccsc1Br)Nc1ccc2c(c1)OCCCO2 ZINC000261678425 843940223 /nfs/dbraw/zinc/94/02/23/843940223.db2.gz GUHFQOJKKXJTNS-UHFFFAOYSA-N 1 0 382.283 3.599 20 30 GHEDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000178672856 844733257 /nfs/dbraw/zinc/73/32/57/844733257.db2.gz DFRFLYZPCNQQMX-UHFFFAOYSA-N 1 0 396.874 3.771 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000329471610 861493693 /nfs/dbraw/zinc/49/36/93/861493693.db2.gz ZDCDVTVZXAJSQN-MAUKXSAKSA-N 1 0 393.503 3.591 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508808928 844800871 /nfs/dbraw/zinc/80/08/71/844800871.db2.gz IXCWZYNVLRAFLR-RXVVDRJESA-N 1 0 377.536 3.893 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458295048 844805080 /nfs/dbraw/zinc/80/50/80/844805080.db2.gz QFZMTVUWEFZUFY-NRFANRHFSA-N 1 0 399.466 3.680 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C ZINC000433011636 844916233 /nfs/dbraw/zinc/91/62/33/844916233.db2.gz PHEYDTWOCUHZFB-FQEVSTJZSA-N 1 0 378.476 3.976 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000610967497 844924934 /nfs/dbraw/zinc/92/49/34/844924934.db2.gz AXMLOIDEERGSAK-RTBURBONSA-N 1 0 391.471 3.513 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)cc2F)n1 ZINC000329484644 861518098 /nfs/dbraw/zinc/51/80/98/861518098.db2.gz SJYDOLVQUJDDIR-APWZRJJASA-N 1 0 385.487 3.732 20 30 GHEDRO C[C@H](NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000614472734 844970440 /nfs/dbraw/zinc/97/04/40/844970440.db2.gz HHUIAFCQJSFVRJ-FDDCHVKYSA-N 1 0 376.504 3.973 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000610983256 844980187 /nfs/dbraw/zinc/98/01/87/844980187.db2.gz USRZKCFNUGPQIZ-NRFANRHFSA-N 1 0 376.504 3.930 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000610987023 844991520 /nfs/dbraw/zinc/99/15/20/844991520.db2.gz ODGMOTBMKVQEFT-SFHVURJKSA-N 1 0 390.405 3.790 20 30 GHEDRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000610989643 845035343 /nfs/dbraw/zinc/03/53/43/845035343.db2.gz RFCVEUFWJPGJPM-VQIMIIECSA-N 1 0 385.533 3.521 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1 ZINC000433039370 845038180 /nfs/dbraw/zinc/03/81/80/845038180.db2.gz LNNYWKNCBJGRMF-MRXNPFEDSA-N 1 0 387.386 3.971 20 30 GHEDRO COC[C@H](C)[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21 ZINC000599683729 861525115 /nfs/dbraw/zinc/52/51/15/861525115.db2.gz UUTMYVCPQFLALU-NSXLHWASSA-N 1 0 394.515 3.517 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCC#Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000509773289 845139886 /nfs/dbraw/zinc/13/98/86/845139886.db2.gz CIRGHWOUKHUBDF-OFNKIYASSA-N 1 0 375.516 3.638 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458362632 845229920 /nfs/dbraw/zinc/22/99/20/845229920.db2.gz IGKPEOHPJVWHTD-UHFFFAOYSA-N 1 0 398.551 3.814 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000277213608 845310576 /nfs/dbraw/zinc/31/05/76/845310576.db2.gz WXWHBXYYOJUYPQ-AWEZNQCLSA-N 1 0 377.893 3.606 20 30 GHEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000538389181 845403396 /nfs/dbraw/zinc/40/33/96/845403396.db2.gz CBKWFXBGTAEWNI-DYESRHJHSA-N 1 0 386.467 3.520 20 30 GHEDRO Cc1cc(-c2noc([C@H](c3ccc4ccccc4c3)N3CC([NH3+])C3)n2)ccc1C#N ZINC001211801642 845554310 /nfs/dbraw/zinc/55/43/10/845554310.db2.gz UFSIBLXIIIIQML-QFIPXVFZSA-N 1 0 395.466 3.802 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C#N)c1C ZINC000513600056 845715448 /nfs/dbraw/zinc/71/54/48/845715448.db2.gz UEJGJUFNLDZZQR-HXUWFJFHSA-N 1 0 377.488 3.699 20 30 GHEDRO CN(C)Cc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1Br ZINC000469491482 845770487 /nfs/dbraw/zinc/77/04/87/845770487.db2.gz HADVKMWDCMZNHN-UHFFFAOYSA-N 1 0 393.672 3.683 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431320288 845876272 /nfs/dbraw/zinc/87/62/72/845876272.db2.gz ZMYHPIKEXDCYPN-FGZHOGPDSA-N 1 0 397.563 3.665 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000481538731 861626180 /nfs/dbraw/zinc/62/61/80/861626180.db2.gz FYASNFHISRCKCF-RKVPGOIHSA-N 1 0 389.565 3.699 20 30 GHEDRO C[C@]1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)OCCc2sccc21 ZINC000329543539 861627522 /nfs/dbraw/zinc/62/75/22/861627522.db2.gz FMZGATXGUKWUBA-OAQYLSRUSA-N 1 0 391.581 3.837 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1nc(C2CCCCC2)no1 ZINC000329557458 861652113 /nfs/dbraw/zinc/65/21/13/861652113.db2.gz QMVLGSZJPGVVJH-UXLLHSPISA-N 1 0 375.517 3.651 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000280244340 846334998 /nfs/dbraw/zinc/33/49/98/846334998.db2.gz BBUGYBYMFSXBKV-HOTGVXAUSA-N 1 0 375.538 3.502 20 30 GHEDRO C[C@]1(CNC(=O)NC2(c3cccc(C#N)c3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000502677072 846342189 /nfs/dbraw/zinc/34/21/89/846342189.db2.gz DUKRKSQVBYHGDJ-HSZRJFAPSA-N 1 0 388.515 3.901 20 30 GHEDRO C[NH+]=C(NCc1cc(Br)cs1)Nc1ccc(OC)c(OC)c1 ZINC000261846443 846378047 /nfs/dbraw/zinc/37/80/47/846378047.db2.gz XHQOUZGXKXHTKD-UHFFFAOYSA-N 1 0 384.299 3.715 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000421602517 846378691 /nfs/dbraw/zinc/37/86/91/846378691.db2.gz SFFQOEDYIOOVAZ-SFHVURJKSA-N 1 0 393.434 3.691 20 30 GHEDRO CC(C)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000119892946 846465267 /nfs/dbraw/zinc/46/52/67/846465267.db2.gz BSSUUUOEOTZXJO-UHFFFAOYSA-N 1 0 380.492 3.941 20 30 GHEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000582150799 846510754 /nfs/dbraw/zinc/51/07/54/846510754.db2.gz SMVBTFWTDQBINZ-QFIPXVFZSA-N 1 0 387.531 3.881 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419437842 846551700 /nfs/dbraw/zinc/55/17/00/846551700.db2.gz FTWZDOVTOSUQKI-VQTJNVASSA-N 1 0 380.492 3.911 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc2c(c1)CCCC2 ZINC000329572109 861691561 /nfs/dbraw/zinc/69/15/61/861691561.db2.gz MXRCCXRPAUSPCI-HVETUWLQSA-N 1 0 385.552 3.508 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000760016425 846597081 /nfs/dbraw/zinc/59/70/81/846597081.db2.gz JQEQDVCIDXGMPA-GBXCKJPGSA-N 1 0 378.516 3.640 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](OC(F)F)C3)sc2C1 ZINC000611580680 846610398 /nfs/dbraw/zinc/61/03/98/846610398.db2.gz ZOWZEZNQCURWOS-STQMWFEESA-N 1 0 397.491 3.777 20 30 GHEDRO COc1cc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000501080671 846622959 /nfs/dbraw/zinc/62/29/59/846622959.db2.gz OFPJIULSDLDPOG-UWJYYQICSA-N 1 0 380.488 3.881 20 30 GHEDRO CC[NH+]1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 ZINC000501086051 846629024 /nfs/dbraw/zinc/62/90/24/846629024.db2.gz PXIHTGFWDZJCEI-UHFFFAOYSA-N 1 0 394.523 3.647 20 30 GHEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000421842656 846633346 /nfs/dbraw/zinc/63/33/46/846633346.db2.gz OHRZRLOHNCCLQP-XOBRGWDASA-N 1 0 385.870 3.672 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(Cl)cc2)[n+]2ccccc2)cn1 ZINC000101900442 846692631 /nfs/dbraw/zinc/69/26/31/846692631.db2.gz PCABGYVULOPKKR-UHFFFAOYSA-O 1 0 385.900 3.895 20 30 GHEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000120015465 846729031 /nfs/dbraw/zinc/72/90/31/846729031.db2.gz LZJHPRSDNRTBDA-IBGZPJMESA-N 1 0 394.519 3.550 20 30 GHEDRO COc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599815329 861712505 /nfs/dbraw/zinc/71/25/05/861712505.db2.gz XFISBUHONFKFLG-WBVHZDCISA-N 1 0 396.466 3.738 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178561349 846817525 /nfs/dbraw/zinc/81/75/25/846817525.db2.gz MBQBIJSHTJLJAD-UHFFFAOYSA-N 1 0 391.519 3.591 20 30 GHEDRO COc1ccc(CC2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)cc1 ZINC000109957069 846902155 /nfs/dbraw/zinc/90/21/55/846902155.db2.gz QGPDIFHYBLEGTC-UHFFFAOYSA-N 1 0 383.536 3.635 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000501540718 847004160 /nfs/dbraw/zinc/00/41/60/847004160.db2.gz ZXRIEGOUZYXVMO-KBPBESRZSA-N 1 0 398.429 3.741 20 30 GHEDRO C=C(C)[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(F)c1 ZINC000481569402 861748332 /nfs/dbraw/zinc/74/83/32/861748332.db2.gz KSVYPGBZNHSIGW-MOPGFXCFSA-N 1 0 387.386 3.885 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000513720652 847118855 /nfs/dbraw/zinc/11/88/55/847118855.db2.gz MXLSVKAHFGKUPJ-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO CN1CCC(CNC(=O)c2cc(-c3ccccc3)on2)([NH+]2CCCCC2)CC1 ZINC000329611946 861774140 /nfs/dbraw/zinc/77/41/40/861774140.db2.gz OIUDSBINPBWINI-UHFFFAOYSA-N 1 0 382.508 3.597 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000604096166 861776150 /nfs/dbraw/zinc/77/61/50/861776150.db2.gz QIVWMRZODZYINH-OXQOHEQNSA-N 1 0 380.492 3.548 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000502111245 847491609 /nfs/dbraw/zinc/49/16/09/847491609.db2.gz KJJJIZPZJALURI-QFIPXVFZSA-N 1 0 388.515 3.757 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000502167461 847548386 /nfs/dbraw/zinc/54/83/86/847548386.db2.gz KKNVSGPEZXCSNR-UHFFFAOYSA-N 1 0 392.478 3.758 20 30 GHEDRO N#Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000421051891 847669746 /nfs/dbraw/zinc/66/97/46/847669746.db2.gz MPVRBUVCTMOYLL-UHFFFAOYSA-N 1 0 386.546 3.533 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000503420801 847685206 /nfs/dbraw/zinc/68/52/06/847685206.db2.gz MAIOXAPEEUTIDQ-PZJWPPBQSA-N 1 0 393.535 3.683 20 30 GHEDRO CCCc1c(NC(=O)NC2CCC([NH+](C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000421094531 847714100 /nfs/dbraw/zinc/71/41/00/847714100.db2.gz HTCTXGMQTDEMOK-UHFFFAOYSA-N 1 0 394.523 3.691 20 30 GHEDRO Cn1c(Sc2c(C#N)cnc3c(Cl)cccc32)nnc1[C@@H]1CCC[NH2+]C1 ZINC000582603139 847749086 /nfs/dbraw/zinc/74/90/86/847749086.db2.gz NKRLNXHKKHKSOG-LLVKDONJSA-N 1 0 384.896 3.507 20 30 GHEDRO COc1cccc2sc(NC(=O)CN(C)Cc3ccc4c(c3)OCO4)nc21 ZINC000051828932 847978411 /nfs/dbraw/zinc/97/84/11/847978411.db2.gz LDAPUJZHHWASIP-UHFFFAOYSA-N 1 0 385.445 3.754 20 30 GHEDRO CSc1ccc(N2C[C@H](C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2=O)cc1 ZINC000329635375 861856334 /nfs/dbraw/zinc/85/63/34/861856334.db2.gz UMBZBSJQKDOIFN-DUZACMNTSA-N 1 0 387.549 3.733 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCC2CC(OC)C2)cc1OC ZINC000657527793 848067771 /nfs/dbraw/zinc/06/77/71/848067771.db2.gz YRAVMTAFTXOVKJ-UHFFFAOYSA-N 1 0 384.314 3.927 20 30 GHEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329098997 848150731 /nfs/dbraw/zinc/15/07/31/848150731.db2.gz CZJPKQPTUNLUJJ-SFHVURJKSA-N 1 0 389.540 3.750 20 30 GHEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329098996 848151100 /nfs/dbraw/zinc/15/11/00/848151100.db2.gz CZJPKQPTUNLUJJ-GOSISDBHSA-N 1 0 389.540 3.750 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 ZINC000511190804 848202556 /nfs/dbraw/zinc/20/25/56/848202556.db2.gz HIZVYJNBYRVQND-UHFFFAOYSA-N 1 0 397.494 3.622 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000582737891 848236309 /nfs/dbraw/zinc/23/63/09/848236309.db2.gz JLMPVGBVUOVCTE-UHFFFAOYSA-N 1 0 398.507 3.615 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C[NH+]1CCCCC1 ZINC000604185943 861908863 /nfs/dbraw/zinc/90/88/63/861908863.db2.gz YEWHYBFBGQGWLI-LJQANCHMSA-N 1 0 391.515 3.989 20 30 GHEDRO CCc1c(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC000120916442 848660998 /nfs/dbraw/zinc/66/09/98/848660998.db2.gz RBRHZPLVWTVJMF-UHFFFAOYSA-O 1 0 386.541 3.703 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(Cl)cc1 ZINC000582967917 848783626 /nfs/dbraw/zinc/78/36/26/848783626.db2.gz CHQJDKKHCHWEIK-UXHICEINSA-N 1 0 383.923 3.874 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000604188049 861949603 /nfs/dbraw/zinc/94/96/03/861949603.db2.gz QVERXKBDOAUIFH-UHFFFAOYSA-N 1 0 385.577 3.906 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N(C)Cc1cc(Cl)cn1C ZINC000158768449 849002013 /nfs/dbraw/zinc/00/20/13/849002013.db2.gz ZTFOQGPUGNMONP-FXAWDEMLSA-N 1 0 388.943 3.854 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC2CCC(=O)CC2)C1 ZINC000329670513 862002181 /nfs/dbraw/zinc/00/21/81/862002181.db2.gz MWJMYZSYXIQFPN-AWEZNQCLSA-N 1 0 394.313 3.903 20 30 GHEDRO C[C@@H]1C[N@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC(C)(C)C1 ZINC000329679258 862011407 /nfs/dbraw/zinc/01/14/07/862011407.db2.gz XILWOFKWKCGTRO-KRWDZBQOSA-N 1 0 377.573 3.882 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)C2)ccn1 ZINC000856533176 881342221 /nfs/dbraw/zinc/34/22/21/881342221.db2.gz ABRPJFREYQSSPO-FQEVSTJZSA-N 1 0 393.535 3.755 20 30 GHEDRO O=C(c1nccs1)C(C(=S)NC12CC3CC(CC(C3)C1)C2)[n+]1ccccc1 ZINC000278199640 849617976 /nfs/dbraw/zinc/61/79/76/849617976.db2.gz GVEMLMVJHKVFKC-UHFFFAOYSA-O 1 0 398.577 3.928 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCCC1 ZINC000155818817 849648215 /nfs/dbraw/zinc/64/82/15/849648215.db2.gz DAWWLDSVVWPNKL-UHFFFAOYSA-N 1 0 392.503 3.824 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000481687980 862051307 /nfs/dbraw/zinc/05/13/07/862051307.db2.gz UNECBHTVIGIATR-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000176696858 849711307 /nfs/dbraw/zinc/71/13/07/849711307.db2.gz UGCTYVHEZXWQGR-UHFFFAOYSA-N 1 0 391.515 3.844 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1ccc(OC)cc1 ZINC000503947805 849791643 /nfs/dbraw/zinc/79/16/43/849791643.db2.gz XJOVSJAMZFIXML-UHFFFAOYSA-N 1 0 386.565 3.836 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000180311265 862067061 /nfs/dbraw/zinc/06/70/61/862067061.db2.gz AUBMGBGBIBEMEM-UGKGYDQZSA-N 1 0 383.467 3.590 20 30 GHEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000434940682 849911359 /nfs/dbraw/zinc/91/13/59/849911359.db2.gz YKGNUXKPIKNUIO-UHFFFAOYSA-N 1 0 380.448 3.872 20 30 GHEDRO COCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CC=CCC1 ZINC000434987903 849974945 /nfs/dbraw/zinc/97/49/45/849974945.db2.gz PWPLDQMJWPTKDS-IBGZPJMESA-N 1 0 379.508 3.663 20 30 GHEDRO N#Cc1cnc(C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)c(Cl)c1 ZINC000908411074 850084788 /nfs/dbraw/zinc/08/47/88/850084788.db2.gz LWYZWJWABJJSKW-UHFFFAOYSA-N 1 0 381.823 3.596 20 30 GHEDRO CCOc1ccc2c(c1)CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000435126869 850107254 /nfs/dbraw/zinc/10/72/54/850107254.db2.gz RVOULSCQYARHBT-UHFFFAOYSA-N 1 0 387.487 3.816 20 30 GHEDRO COCC[N@H+](Cc1cccs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435131273 850111960 /nfs/dbraw/zinc/11/19/60/850111960.db2.gz CNAGGEKEAXFEFI-UHFFFAOYSA-N 1 0 381.505 3.569 20 30 GHEDRO N#CCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000486839097 850162871 /nfs/dbraw/zinc/16/28/71/850162871.db2.gz JPYKRHRWGCBAEC-NFBKMPQASA-N 1 0 385.471 3.751 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486855317 850168747 /nfs/dbraw/zinc/16/87/47/850168747.db2.gz LJKXNLAVLCGCQX-AUSIDOKSSA-N 1 0 394.519 3.515 20 30 GHEDRO CCNC(=O)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000486869908 850193192 /nfs/dbraw/zinc/19/31/92/850193192.db2.gz QDSAOLYPGFCDKT-UHFFFAOYSA-N 1 0 377.488 3.533 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCCC2 ZINC000439641370 850204604 /nfs/dbraw/zinc/20/46/04/850204604.db2.gz AXOOAEJBRLRBDA-PWIZWCRZSA-N 1 0 387.499 3.788 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000424090657 850213428 /nfs/dbraw/zinc/21/34/28/850213428.db2.gz MOBBOTVJFSRFRZ-BEFAXECRSA-N 1 0 379.464 3.529 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000424123133 850236832 /nfs/dbraw/zinc/23/68/32/850236832.db2.gz JXSRAXSEHOCFCZ-SFHVURJKSA-N 1 0 377.602 3.981 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)cc1 ZINC000729434911 850569258 /nfs/dbraw/zinc/56/92/58/850569258.db2.gz SSCFSNCPQFRVSR-FQEVSTJZSA-N 1 0 395.503 3.930 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1=CC[N@H+](C)CC1 ZINC000329706385 862162457 /nfs/dbraw/zinc/16/24/57/862162457.db2.gz KXKOHPQILDNJMH-WFASDCNBSA-N 1 0 396.318 3.953 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1C#N ZINC000515185149 850743677 /nfs/dbraw/zinc/74/36/77/850743677.db2.gz ZGGCTTXJJNTAFL-UHFFFAOYSA-N 1 0 394.544 3.804 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000435729034 850792124 /nfs/dbraw/zinc/79/21/24/850792124.db2.gz AVJBBXDWFMJWIS-UZLBHIALSA-N 1 0 393.369 3.984 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OCCOCC ZINC000435732319 850819751 /nfs/dbraw/zinc/81/97/51/850819751.db2.gz OLYFCZSDWGYDQY-KXBFYZLASA-N 1 0 398.341 3.935 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487841200 850946375 /nfs/dbraw/zinc/94/63/75/850946375.db2.gz QYSVRSACQPDODD-UHFFFAOYSA-N 1 0 379.302 3.563 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000440289897 851009327 /nfs/dbraw/zinc/00/93/27/851009327.db2.gz ACZDYGIYEBFLTB-FQEVSTJZSA-N 1 0 391.515 3.911 20 30 GHEDRO N#Cc1ncc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000515427192 851009825 /nfs/dbraw/zinc/00/98/25/851009825.db2.gz PLCXLSAWCMSSDM-IAGOWNOFSA-N 1 0 395.894 3.592 20 30 GHEDRO CC(C)Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000515525098 851130854 /nfs/dbraw/zinc/13/08/54/851130854.db2.gz VZDTVSVDNFUGPH-UHFFFAOYSA-N 1 0 399.560 3.509 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CC[C@]2(CCOC2)C1 ZINC000262019317 851226486 /nfs/dbraw/zinc/22/64/86/851226486.db2.gz YLTPADXPUWWSRQ-QFIPXVFZSA-N 1 0 398.482 3.591 20 30 GHEDRO [NH2+]=C(NCc1ccnc(OC2CCCCC2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000262027081 851279982 /nfs/dbraw/zinc/27/99/82/851279982.db2.gz ZWVWRAYDMDOQQL-UHFFFAOYSA-N 1 0 396.491 3.881 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000425483668 851311683 /nfs/dbraw/zinc/31/16/83/851311683.db2.gz VYUBJRQQZWUFHR-SFTDATJTSA-N 1 0 385.552 3.569 20 30 GHEDRO CC1CC[NH+](CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000514173542 851349675 /nfs/dbraw/zinc/34/96/75/851349675.db2.gz GPXBFBTWEATVQG-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C(=O)NC)ccc1Cl)C(C)C ZINC000048503192 851388381 /nfs/dbraw/zinc/38/83/81/851388381.db2.gz MDBJYRDAEBFSGQ-SFHVURJKSA-N 1 0 392.931 3.520 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520829 862241806 /nfs/dbraw/zinc/24/18/06/862241806.db2.gz UYMLNOAWYQERBQ-OFNKIYASSA-N 1 0 377.488 3.987 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180602123 862244612 /nfs/dbraw/zinc/24/46/12/862244612.db2.gz FISKQUGARYNZRP-QGZVFWFLSA-N 1 0 395.478 3.929 20 30 GHEDRO Cc1nc(SCC(=O)NCCC[N@@H+](C)C2CCCCC2)c(C#N)c(C)c1C ZINC000515773804 851457235 /nfs/dbraw/zinc/45/72/35/851457235.db2.gz CMQYLQUUEPBWTN-UHFFFAOYSA-N 1 0 388.581 3.741 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)NCC#Cc1ccccc1)[NH+]1CCCCC1 ZINC000515793672 851486374 /nfs/dbraw/zinc/48/63/74/851486374.db2.gz RCYLSICTRWBQNV-JOCHJYFZSA-N 1 0 391.515 3.573 20 30 GHEDRO COCC[N@H+](CCOc1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000604494716 862256575 /nfs/dbraw/zinc/25/65/75/862256575.db2.gz YRGIHEHBAIYGNU-UHFFFAOYSA-N 1 0 389.293 3.848 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000425542727 851586439 /nfs/dbraw/zinc/58/64/39/851586439.db2.gz QTHRGGGKCYZDQU-UWJYYQICSA-N 1 0 380.488 3.728 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)C2=O)cc1 ZINC000894555196 851701595 /nfs/dbraw/zinc/70/15/95/851701595.db2.gz IDZDFUQMXNSMGW-KRWDZBQOSA-N 1 0 396.903 3.712 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000440459419 851705162 /nfs/dbraw/zinc/70/51/62/851705162.db2.gz QQWOXOYKMNEPEC-DEOSSOPVSA-N 1 0 394.559 3.751 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1 ZINC000061660839 862276649 /nfs/dbraw/zinc/27/66/49/862276649.db2.gz ORNKWCRAYIOBGL-HXUWFJFHSA-N 1 0 375.516 3.912 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000111496027 851732606 /nfs/dbraw/zinc/73/26/06/851732606.db2.gz OVPYTWATZBKOPB-OAHLLOKOSA-N 1 0 383.458 3.976 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000437987259 851921706 /nfs/dbraw/zinc/92/17/06/851921706.db2.gz OZQJTJCECVUORC-GPXNEJASSA-N 1 0 397.563 3.665 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@@H+]1C ZINC000437995228 851932085 /nfs/dbraw/zinc/93/20/85/851932085.db2.gz ISHFPHABAILUGI-KXBFYZLASA-N 1 0 396.466 3.881 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000515975373 852031306 /nfs/dbraw/zinc/03/13/06/852031306.db2.gz PMSHODPRISNLSG-WIYYLYMNSA-N 1 0 381.476 3.508 20 30 GHEDRO COc1cccc([C@H](O)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000111394043 852116429 /nfs/dbraw/zinc/11/64/29/852116429.db2.gz AZDHHNCIRMZRGG-XMMPIXPASA-N 1 0 388.467 3.969 20 30 GHEDRO Cc1nn(C)c2cc(NC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc12 ZINC000329788818 862322736 /nfs/dbraw/zinc/32/27/36/862322736.db2.gz BNJZVELYTMWLJG-SFHVURJKSA-N 1 0 383.540 3.871 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505855090 852140270 /nfs/dbraw/zinc/14/02/70/852140270.db2.gz BDGSXCPGAFSSHT-JVVKFSLBSA-N 1 0 383.536 3.707 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000028892083 852218928 /nfs/dbraw/zinc/21/89/28/852218928.db2.gz PKGQGIAVFHLUPU-UHFFFAOYSA-N 1 0 382.895 3.671 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2nnc(C(C)(C)C)s2)C1 ZINC000329807607 862334470 /nfs/dbraw/zinc/33/44/70/862334470.db2.gz AHVULPDHXWSCAM-OKILXGFUSA-N 1 0 381.590 3.596 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccs1 ZINC000517664379 852237802 /nfs/dbraw/zinc/23/78/02/852237802.db2.gz UFLZCIBVZRBWHC-GOSISDBHSA-N 1 0 392.484 3.840 20 30 GHEDRO CC[N@H+](CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)CCC(F)(F)F ZINC000425982018 852255196 /nfs/dbraw/zinc/25/51/96/852255196.db2.gz PHIMRJWKUFZBTB-UHFFFAOYSA-N 1 0 394.441 3.631 20 30 GHEDRO CC(C)[NH+](CCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C(C)C ZINC000505874437 852265312 /nfs/dbraw/zinc/26/53/12/852265312.db2.gz JIMMJKCWNQMDRX-SFHVURJKSA-N 1 0 376.520 3.511 20 30 GHEDRO Cc1nnc(SCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)n1-c1cc(C)ccc1C ZINC000329812075 862338765 /nfs/dbraw/zinc/33/87/65/862338765.db2.gz CEBYBHUUJDMYNJ-CRAIPNDOSA-N 1 0 399.564 3.724 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)CC[N@@H+]1C ZINC000329814778 862339552 /nfs/dbraw/zinc/33/95/52/862339552.db2.gz USFUTOCASRMHCS-SJLPKXTDSA-N 1 0 387.524 3.947 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@@H+]1C ZINC000489374765 852275365 /nfs/dbraw/zinc/27/53/65/852275365.db2.gz OOMGXHHBYRDFRT-HXUWFJFHSA-N 1 0 381.451 3.902 20 30 GHEDRO COc1cc(CNC(NCCc2ccccc2)=[NH+]C(C)(C)C)cc(OC)c1OC ZINC000912506222 852312297 /nfs/dbraw/zinc/31/22/97/852312297.db2.gz LILKHPVEWNDFIO-UHFFFAOYSA-N 1 0 399.535 3.789 20 30 GHEDRO Cc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000028960426 852329381 /nfs/dbraw/zinc/32/93/81/852329381.db2.gz LRNYDVYYLPPOHG-UHFFFAOYSA-N 1 0 396.922 3.667 20 30 GHEDRO O=C(NCC#Cc1cccc(F)c1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517792522 852415133 /nfs/dbraw/zinc/41/51/33/852415133.db2.gz WJGRBEZAQYPFLM-JOCHJYFZSA-N 1 0 393.506 3.779 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000329832504 862357794 /nfs/dbraw/zinc/35/77/94/862357794.db2.gz KXVYLXXMFZPNGC-VCBZYWHSSA-N 1 0 388.487 3.522 20 30 GHEDRO COc1cc2c(cc1NC(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)NC(=O)CC2 ZINC000329835103 862358737 /nfs/dbraw/zinc/35/87/37/862358737.db2.gz LXOQBGCWBQGPGD-DNVCBOLYSA-N 1 0 398.507 3.724 20 30 GHEDRO CC[NH+]1CCC(NC(=O)CN2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000329850097 862372827 /nfs/dbraw/zinc/37/28/27/862372827.db2.gz QDODWSCGWHPAAV-UHFFFAOYSA-N 1 0 388.487 3.587 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)Nc2ccccc2CC[NH+](C)C)c1C#N ZINC000438564503 852581144 /nfs/dbraw/zinc/58/11/44/852581144.db2.gz TZVVRXMHLZLQEX-UHFFFAOYSA-N 1 0 380.517 3.909 20 30 GHEDRO C=CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000427012718 852614136 /nfs/dbraw/zinc/61/41/36/852614136.db2.gz SCDOCVLFMVOYRN-KRWDZBQOSA-N 1 0 377.879 3.916 20 30 GHEDRO C=CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000427012719 852614387 /nfs/dbraw/zinc/61/43/87/852614387.db2.gz SCDOCVLFMVOYRN-QGZVFWFLSA-N 1 0 377.879 3.916 20 30 GHEDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000427028722 852629964 /nfs/dbraw/zinc/62/99/64/852629964.db2.gz GSQBRPBYAAQHGS-UHFFFAOYSA-N 1 0 384.505 3.759 20 30 GHEDRO CN(c1ccccc1)C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000490011912 852722836 /nfs/dbraw/zinc/72/28/36/852722836.db2.gz IBLCJAUUTDAJJX-QHCPKHFHSA-N 1 0 388.515 3.654 20 30 GHEDRO C=CCC[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000427114784 852730081 /nfs/dbraw/zinc/73/00/81/852730081.db2.gz ORKHOIMLZRCOAC-XJUOHMSHSA-N 1 0 383.580 3.753 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437839550 852755726 /nfs/dbraw/zinc/75/57/26/852755726.db2.gz HOVJRXSZXPHFLI-FQEVSTJZSA-N 1 0 399.535 3.639 20 30 GHEDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507298458 852760819 /nfs/dbraw/zinc/76/08/19/852760819.db2.gz TYKDQHUIZYKQBW-RBUKOAKNSA-N 1 0 390.531 3.509 20 30 GHEDRO C[C@@H]1CCCN(C(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000438729530 852767737 /nfs/dbraw/zinc/76/77/37/852767737.db2.gz BHAPLRWMTUBOSW-GOSISDBHSA-N 1 0 379.479 3.958 20 30 GHEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000481847867 862391502 /nfs/dbraw/zinc/39/15/02/862391502.db2.gz LSKUUACQGPIOGR-RDJZCZTQSA-N 1 0 394.357 3.710 20 30 GHEDRO COc1ccc2occ(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2c1 ZINC000507542642 853031291 /nfs/dbraw/zinc/03/12/91/853031291.db2.gz DLENKQDLIYRRLV-UHFFFAOYSA-N 1 0 377.444 3.517 20 30 GHEDRO CSC1(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)CC[NH+](C)CC1 ZINC000516819623 853037104 /nfs/dbraw/zinc/03/71/04/853037104.db2.gz WYQWEOCNFDNPSK-OAHLLOKOSA-N 1 0 392.594 3.887 20 30 GHEDRO N#Cc1ccc(CN2CC[NH+](CCc3cccs3)CC2)c(OC(F)F)c1 ZINC000437401592 853094053 /nfs/dbraw/zinc/09/40/53/853094053.db2.gz ADVFMDVARUSQQW-UHFFFAOYSA-N 1 0 377.460 3.581 20 30 GHEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000329927698 862431124 /nfs/dbraw/zinc/43/11/24/862431124.db2.gz XDJPSXGFSHRUFD-ROUUACIJSA-N 1 0 393.535 3.939 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000894873503 853291632 /nfs/dbraw/zinc/29/16/32/853291632.db2.gz MROFGMZZRCQLDF-HBMCJLEFSA-N 1 0 384.520 3.562 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000517072824 853309817 /nfs/dbraw/zinc/30/98/17/853309817.db2.gz IGCDLAGAVRFZQF-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000437634348 853342326 /nfs/dbraw/zinc/34/23/26/853342326.db2.gz LKGULMCMXUKPGJ-BWAGFHJFSA-N 1 0 385.552 3.841 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000437655287 853382578 /nfs/dbraw/zinc/38/25/78/853382578.db2.gz XVNOQJRROJDTIK-UZKOGDIHSA-N 1 0 385.552 3.699 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CSc3ccccc3O2)c(-c2ccncc2)n1 ZINC000519717561 853421899 /nfs/dbraw/zinc/42/18/99/853421899.db2.gz UUPCYIGGJVKFQW-SFHVURJKSA-N 1 0 391.500 3.502 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCC#N)c2ccc(F)cc2F)c1 ZINC000491060166 853430953 /nfs/dbraw/zinc/43/09/53/853430953.db2.gz NBSLTLXPOVSWPV-IBGZPJMESA-N 1 0 378.444 3.741 20 30 GHEDRO CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491148752 853471975 /nfs/dbraw/zinc/47/19/75/853471975.db2.gz RLTTULVDWBAUEN-QHCPKHFHSA-N 1 0 385.515 3.665 20 30 GHEDRO N#Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1C(F)(F)F ZINC000519851618 853545815 /nfs/dbraw/zinc/54/58/15/853545815.db2.gz QJRAZSDAXXHGIN-IRXDYDNUSA-N 1 0 386.421 3.930 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000163917440 853627154 /nfs/dbraw/zinc/62/71/54/853627154.db2.gz HIFCJTDETQFJNE-UHFFFAOYSA-N 1 0 398.478 3.617 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)CCc2ccc(F)cc2)cc1 ZINC000055024112 853630147 /nfs/dbraw/zinc/63/01/47/853630147.db2.gz VSVPEIFPCQQLRB-UHFFFAOYSA-N 1 0 383.467 3.646 20 30 GHEDRO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)NCc1cccs1)[n+]1ccccc1 ZINC000055027213 853632348 /nfs/dbraw/zinc/63/23/48/853632348.db2.gz RQPTYULUQUAIQK-UHFFFAOYSA-O 1 0 398.489 3.672 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)cc1 ZINC000517345899 853691956 /nfs/dbraw/zinc/69/19/56/853691956.db2.gz UDROCEKYZRYDFN-GOSISDBHSA-N 1 0 391.450 3.803 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NCc3ccc(O[C@H](C)C#N)cc3)cc2)CC1 ZINC000156353209 853708131 /nfs/dbraw/zinc/70/81/31/853708131.db2.gz XDEGUEMIZSYIKF-LJQANCHMSA-N 1 0 378.520 3.727 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCC2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000440985532 853802026 /nfs/dbraw/zinc/80/20/26/853802026.db2.gz MHRUEGICFHHWMI-OBMFMMATSA-N 1 0 382.552 3.916 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(O)c(OC)c1 ZINC000164266746 853802137 /nfs/dbraw/zinc/80/21/37/853802137.db2.gz MABTYQRRLMBQPD-LJQANCHMSA-N 1 0 399.466 3.664 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000481915240 862511953 /nfs/dbraw/zinc/51/19/53/862511953.db2.gz LPMNXKRLKPDIGA-DEOSSOPVSA-N 1 0 375.516 3.948 20 30 GHEDRO COC(=O)c1cc2cc(C[N@H+](C)CCOCc3ccc(C#N)cc3)ccc2o1 ZINC000571559694 853948702 /nfs/dbraw/zinc/94/87/02/853948702.db2.gz UCZYOGUOBZMZKX-UHFFFAOYSA-N 1 0 378.428 3.740 20 30 GHEDRO O=C(NC1CCC(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1)C1CC1 ZINC000330027536 862516234 /nfs/dbraw/zinc/51/62/34/862516234.db2.gz NGYHHHDNUZSZTD-UHFFFAOYSA-N 1 0 377.529 3.513 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c(O)c(OC)c1 ZINC000164418130 854004302 /nfs/dbraw/zinc/00/43/02/854004302.db2.gz PPVKDCYWILZWQN-UHFFFAOYSA-N 1 0 394.471 3.644 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000164466395 854017261 /nfs/dbraw/zinc/01/72/61/854017261.db2.gz AWRAUKWDRPWSAZ-FQEVSTJZSA-N 1 0 375.509 3.679 20 30 GHEDRO N#Cc1cc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(N)c1[N+](=O)[O-] ZINC000588015875 854078478 /nfs/dbraw/zinc/07/84/78/854078478.db2.gz DCXCJFHNIZYVDN-OZOXKJRCSA-N 1 0 391.475 3.761 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000157457659 854117672 /nfs/dbraw/zinc/11/76/72/854117672.db2.gz DKYFOAOACANSQS-YLJYHZDGSA-N 1 0 382.508 3.826 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000520369251 854123702 /nfs/dbraw/zinc/12/37/02/854123702.db2.gz KCOUCWKLPJRFLP-LJQANCHMSA-N 1 0 378.476 3.567 20 30 GHEDRO CCOc1ccccc1CN1CC[N@H+](CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000441378114 854162288 /nfs/dbraw/zinc/16/22/88/854162288.db2.gz NFQUPFYUDNPQLV-HXUWFJFHSA-N 1 0 385.552 3.692 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000185986031 862539719 /nfs/dbraw/zinc/53/97/19/862539719.db2.gz JPDMPNZUZMUYGS-FGZHOGPDSA-N 1 0 398.528 3.772 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCCOC1 ZINC000894990486 854346442 /nfs/dbraw/zinc/34/64/42/854346442.db2.gz IHCLUHPLEMLPCR-SFHVURJKSA-N 1 0 381.398 3.560 20 30 GHEDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000328743746 854525296 /nfs/dbraw/zinc/52/52/96/854525296.db2.gz ONPKERPBPCQRGN-YUXAGFNASA-N 1 0 397.563 3.892 20 30 GHEDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000328758523 854530822 /nfs/dbraw/zinc/53/08/22/854530822.db2.gz VYOBAOUBTLFFSY-HNNXBMFYSA-N 1 0 376.888 3.669 20 30 GHEDRO O=C(Nc1cccc(Br)c1)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000330101268 862575609 /nfs/dbraw/zinc/57/56/09/862575609.db2.gz FBHTZHBKIGSXRH-OAHLLOKOSA-N 1 0 380.286 3.868 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000328822347 854551223 /nfs/dbraw/zinc/55/12/23/854551223.db2.gz PBWLFMMTABWYEJ-RTWAWAEBSA-N 1 0 385.552 3.545 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)CCCCCC#N)c(C(F)(F)F)c2)CC1 ZINC000588879143 854569918 /nfs/dbraw/zinc/56/99/18/854569918.db2.gz LPZSGUBKSXKPOA-UHFFFAOYSA-N 1 0 382.430 3.870 20 30 GHEDRO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000328876766 854594513 /nfs/dbraw/zinc/59/45/13/854594513.db2.gz STCAGOXGIYAJPI-MSOLQXFVSA-N 1 0 377.554 3.879 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)CC1 ZINC000328886275 854597328 /nfs/dbraw/zinc/59/73/28/854597328.db2.gz NYDSBTWAIGOPOY-UHFFFAOYSA-N 1 0 385.537 3.864 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000330112977 862583534 /nfs/dbraw/zinc/58/35/34/862583534.db2.gz RYGWYPSSJVTHIW-KUZRIEKOSA-N 1 0 383.540 3.588 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1 ZINC000328953119 854615121 /nfs/dbraw/zinc/61/51/21/854615121.db2.gz MIHQYELKBRVADP-FGTMMUONSA-N 1 0 378.561 3.632 20 30 GHEDRO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c12 ZINC000328907262 854617466 /nfs/dbraw/zinc/61/74/66/854617466.db2.gz BZJSSOBJCZBHNL-QUCCMNQESA-N 1 0 389.503 3.875 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000481990477 862586258 /nfs/dbraw/zinc/58/62/58/862586258.db2.gz LUNJNPIWJBNRLX-JOCHJYFZSA-N 1 0 395.528 3.655 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC(CCC(N)=O)CC3)CC2)CC1 ZINC000328986961 854642518 /nfs/dbraw/zinc/64/25/18/854642518.db2.gz HENBTJSBKKSNMV-UHFFFAOYSA-N 1 0 378.561 3.971 20 30 GHEDRO CSc1cccc(N2C[C@@H](C(=O)NC3CC([NH+]4CCCCC4)C3)CC2=O)c1 ZINC000330119129 862587850 /nfs/dbraw/zinc/58/78/50/862587850.db2.gz ZKFLMPIMBGARSV-HJOIGYKYSA-N 1 0 387.549 3.735 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000056554623 854788370 /nfs/dbraw/zinc/78/83/70/854788370.db2.gz GXEYPTMXCKMHJI-QGZVFWFLSA-N 1 0 384.505 3.977 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C2CCN(CC#N)CC2)C(C)C)c(Br)c1 ZINC000589338796 854797210 /nfs/dbraw/zinc/79/72/10/854797210.db2.gz FSQDHJIXDUWINI-SFHVURJKSA-N 1 0 380.330 3.732 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+]2CCCC2)o1 ZINC000509199136 862630969 /nfs/dbraw/zinc/63/09/69/862630969.db2.gz WKBQIIUYHWVGMY-LJQANCHMSA-N 1 0 381.451 3.584 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)[C@H]2C1 ZINC000330182873 862643482 /nfs/dbraw/zinc/64/34/82/862643482.db2.gz HNLNVXDJSDCUHL-CJNGLKHVSA-N 1 0 388.418 3.724 20 30 GHEDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000054295170 855138758 /nfs/dbraw/zinc/13/87/58/855138758.db2.gz CIAUALWSMKOMDR-UHFFFAOYSA-N 1 0 375.472 3.790 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc21 ZINC000553668803 855200742 /nfs/dbraw/zinc/20/07/42/855200742.db2.gz ZIQXINWOUHRDSN-UHFFFAOYSA-N 1 0 396.516 3.656 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000590005456 855222731 /nfs/dbraw/zinc/22/27/31/855222731.db2.gz DAARPQCWFSLVNR-KRWDZBQOSA-N 1 0 380.835 3.915 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057154127 855253205 /nfs/dbraw/zinc/25/32/05/855253205.db2.gz PNDXTRPBLFIWBW-UHFFFAOYSA-N 1 0 392.503 3.845 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCN(Cc3c(Cl)cccc3OC(F)F)C2)nc1 ZINC000590052896 855265573 /nfs/dbraw/zinc/26/55/73/855265573.db2.gz CDWZAXJHPKQQEX-CYBMUJFWSA-N 1 0 379.794 3.861 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057201612 855282928 /nfs/dbraw/zinc/28/29/28/855282928.db2.gz UPEGZFRFVRBWRB-OAQYLSRUSA-N 1 0 381.520 3.566 20 30 GHEDRO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330208471 862662060 /nfs/dbraw/zinc/66/20/60/862662060.db2.gz BBDPUGMJQIBPKX-MBWHEUGSSA-N 1 0 399.579 3.621 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000106734273 855291178 /nfs/dbraw/zinc/29/11/78/855291178.db2.gz KMESUMLXFGADOW-UHFFFAOYSA-N 1 0 379.435 3.846 20 30 GHEDRO Cc1ccccc1C(=O)NC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000123037211 855307834 /nfs/dbraw/zinc/30/78/34/855307834.db2.gz OJNFWQJQEWYVNS-UHFFFAOYSA-N 1 0 377.488 3.530 20 30 GHEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000190341237 855322109 /nfs/dbraw/zinc/32/21/09/855322109.db2.gz UMXVKIFTAWUMLA-SFHVURJKSA-N 1 0 398.551 3.774 20 30 GHEDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000590537962 855488768 /nfs/dbraw/zinc/48/87/68/855488768.db2.gz LYQGTOUQYHGYPP-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000330240732 862686691 /nfs/dbraw/zinc/68/66/91/862686691.db2.gz ISOVJFWOCVYHNY-UHFFFAOYSA-N 1 0 393.535 3.992 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)[NH+]2CCCCC2)cc1 ZINC000590616177 855509786 /nfs/dbraw/zinc/50/97/86/855509786.db2.gz XIGIEPDQQGFFAM-NZQKXSOJSA-N 1 0 381.520 3.812 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000107705098 855520559 /nfs/dbraw/zinc/52/05/59/855520559.db2.gz VHXKJLNACONHRL-UHFFFAOYSA-N 1 0 381.545 3.950 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](c3cccs3)C3(CO)CCC3)C2=O)cc1 ZINC000590765334 855566914 /nfs/dbraw/zinc/56/69/14/855566914.db2.gz MHJREQUCJZHHIZ-AZUAARDMSA-N 1 0 395.528 3.609 20 30 GHEDRO Cc1cc(Br)c(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000590780875 855581778 /nfs/dbraw/zinc/58/17/78/855581778.db2.gz TWADVYIBDWEUEA-UHFFFAOYSA-N 1 0 391.338 3.844 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](C4CCC4)CC3)cn2)cc1 ZINC000590804168 855595745 /nfs/dbraw/zinc/59/57/45/855595745.db2.gz SDHDUNFZWOZFLC-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)ccc21 ZINC000590851551 855614589 /nfs/dbraw/zinc/61/45/89/855614589.db2.gz HXEARDPQLNKFKO-FQEVSTJZSA-N 1 0 389.503 3.720 20 30 GHEDRO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000301110178 855621772 /nfs/dbraw/zinc/62/17/72/855621772.db2.gz YEAZTEDOKTVEIV-UHFFFAOYSA-N 1 0 387.487 3.672 20 30 GHEDRO Cc1nc(-c2ccccn2)nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000301154172 855629906 /nfs/dbraw/zinc/62/99/06/855629906.db2.gz BZHQKFKRVHPCJM-UHFFFAOYSA-N 1 0 398.514 3.739 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000590927502 855657027 /nfs/dbraw/zinc/65/70/27/855657027.db2.gz FJVYOUCRIVVVNC-QRWLVFNGSA-N 1 0 382.533 3.943 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000237187776 855687084 /nfs/dbraw/zinc/68/70/84/855687084.db2.gz KEEMAQWNBULOET-QGZVFWFLSA-N 1 0 376.497 3.749 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000591037347 855731357 /nfs/dbraw/zinc/73/13/57/855731357.db2.gz QNJZYGIZZMGDOL-VBSBHUPXSA-N 1 0 395.528 3.666 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CCO[C@H](c3ccc(OC)cc3)C1)C2 ZINC001168644463 855735211 /nfs/dbraw/zinc/73/52/11/855735211.db2.gz RFMRCGFDRFLISS-ODGPQVTHSA-N 1 0 398.547 3.948 20 30 GHEDRO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000057847420 855763367 /nfs/dbraw/zinc/76/33/67/855763367.db2.gz PIZWPOKISFSXSY-HNNXBMFYSA-N 1 0 376.932 3.592 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3nc4c(cc3C#N)CCCC4)CC2)C[C@H](C)O1 ZINC000301907726 855779300 /nfs/dbraw/zinc/77/93/00/855779300.db2.gz ZVVLUGSFUPNQNB-HDICACEKSA-N 1 0 382.552 3.548 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000507784088 855784905 /nfs/dbraw/zinc/78/49/05/855784905.db2.gz IYHOTVOPWPLGOZ-IBGZPJMESA-N 1 0 378.476 3.741 20 30 GHEDRO COc1cccc([C@H]2[C@H](Nc3ccc(C#N)cc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000302041556 855806669 /nfs/dbraw/zinc/80/66/69/855806669.db2.gz LPNKIMUQKSDPAZ-CTNGQTDRSA-N 1 0 378.432 3.865 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108388181 855856485 /nfs/dbraw/zinc/85/64/85/855856485.db2.gz WHLWARDXFVKYGF-LJQANCHMSA-N 1 0 387.480 3.533 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000302388690 855861087 /nfs/dbraw/zinc/86/10/87/855861087.db2.gz JAJOLHHOIUGHJG-DLBZAZTESA-N 1 0 375.394 3.624 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cn2)cc1 ZINC000591277705 855880261 /nfs/dbraw/zinc/88/02/61/855880261.db2.gz VSNOHQHEONEXAV-JCNLHEQBSA-N 1 0 379.464 3.632 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC000591287880 855885316 /nfs/dbraw/zinc/88/53/16/855885316.db2.gz XPWVOTUMCUNABN-HUUCEWRRSA-N 1 0 380.414 3.821 20 30 GHEDRO Cc1cccc2nc(C3CCN(CC(=O)NC4(C#N)CCCCC4)CC3)oc21 ZINC000189809869 855890921 /nfs/dbraw/zinc/89/09/21/855890921.db2.gz QEZDVDLKWXYRET-UHFFFAOYSA-N 1 0 380.492 3.658 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000554491379 855918336 /nfs/dbraw/zinc/91/83/36/855918336.db2.gz PCBUNVOKVIAAJJ-GHOZHQTGSA-N 1 0 396.535 3.516 20 30 GHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000520661952 855945592 /nfs/dbraw/zinc/94/55/92/855945592.db2.gz LQLJHDXJLBAISF-QCFAMHMHSA-N 1 0 395.551 3.628 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000591360235 855951221 /nfs/dbraw/zinc/95/12/21/855951221.db2.gz DUPVGIBSKQVAID-NRFANRHFSA-N 1 0 380.467 3.551 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCSC1 ZINC000484999138 855968053 /nfs/dbraw/zinc/96/80/53/855968053.db2.gz AHJUTKJKROVARA-NRFANRHFSA-N 1 0 396.516 3.909 20 30 GHEDRO Cc1ccc(C#N)cc1-c1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1 ZINC000904742011 855978862 /nfs/dbraw/zinc/97/88/62/855978862.db2.gz RANQEZQYSMJWPK-UHFFFAOYSA-N 1 0 378.407 3.854 20 30 GHEDRO CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000108717479 855990270 /nfs/dbraw/zinc/99/02/70/855990270.db2.gz XKFTYQBUQUCRAG-QGZVFWFLSA-N 1 0 378.476 3.906 20 30 GHEDRO CO[C@@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000171172569 856011548 /nfs/dbraw/zinc/01/15/48/856011548.db2.gz QNFYBNWFNISQIM-KRWDZBQOSA-N 1 0 380.492 3.861 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+](C)C)c1 ZINC000171292912 856079251 /nfs/dbraw/zinc/07/92/51/856079251.db2.gz LEAMWXFDHIZDGO-JOCHJYFZSA-N 1 0 392.503 3.544 20 30 GHEDRO C=CCCC[N@@H+](C)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000265598013 856080840 /nfs/dbraw/zinc/08/08/40/856080840.db2.gz JFWLPNUGRPPQMS-UHFFFAOYSA-N 1 0 388.899 3.779 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000482159867 862755189 /nfs/dbraw/zinc/75/51/89/862755189.db2.gz YZQOXIGYXYCBLL-WMZOPIPTSA-N 1 0 376.570 3.665 20 30 GHEDRO Cn1cc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c(-c2ccc(C#N)cc2)n1 ZINC000895110543 856087976 /nfs/dbraw/zinc/08/79/76/856087976.db2.gz OPYLVSDXILLYEN-MEMLXQNLSA-N 1 0 386.503 3.630 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000109014963 856098700 /nfs/dbraw/zinc/09/87/00/856098700.db2.gz SQMZPQQWSGNNOQ-ZDUSSCGKSA-N 1 0 382.489 3.648 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000485262692 856278026 /nfs/dbraw/zinc/27/80/26/856278026.db2.gz UKUCZVNAKDHVDF-GOSISDBHSA-N 1 0 389.377 3.742 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280842122 856301281 /nfs/dbraw/zinc/30/12/81/856301281.db2.gz LXMKPURVYYJBJC-ACJLOTCBSA-N 1 0 391.924 3.922 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280842128 856302054 /nfs/dbraw/zinc/30/20/54/856302054.db2.gz LXMKPURVYYJBJC-UGSOOPFHSA-N 1 0 391.924 3.922 20 30 GHEDRO Cc1cc(F)cc2[nH]c(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc21 ZINC000593882677 862785534 /nfs/dbraw/zinc/78/55/34/862785534.db2.gz JXSVJTPTMQGSFY-UHFFFAOYSA-N 1 0 390.462 3.882 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536496977 856466118 /nfs/dbraw/zinc/46/61/18/856466118.db2.gz IFGRBHOJJMQNSW-RXVVDRJESA-N 1 0 399.897 3.823 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2cc(C#N)ccc2F)CCOCC1)c1ccccc1 ZINC000888357348 856467214 /nfs/dbraw/zinc/46/72/14/856467214.db2.gz DPNCVYRCZIYGTP-INIZCTEOSA-N 1 0 396.466 3.719 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Cc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000110304962 856495521 /nfs/dbraw/zinc/49/55/21/856495521.db2.gz IJRXFWAENUVEAK-JOCHJYFZSA-N 1 0 377.463 3.757 20 30 GHEDRO CCC[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[N@@H+]1CCOC ZINC000499460938 856522054 /nfs/dbraw/zinc/52/20/54/856522054.db2.gz WXTIUCIIUMXCRC-FQEVSTJZSA-N 1 0 391.515 3.798 20 30 GHEDRO CCCN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@H]1CC[N@H+](C)C1 ZINC000591997586 856563653 /nfs/dbraw/zinc/56/36/53/856563653.db2.gz AYSABGYBVDOWFA-NRFANRHFSA-N 1 0 376.504 3.851 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)CNC(=O)CC3CCCCC3)C1)CCCC2 ZINC000330302413 862819006 /nfs/dbraw/zinc/81/90/06/862819006.db2.gz OKBCTZURLKSDCI-GOSISDBHSA-N 1 0 386.540 3.771 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)CC1 ZINC000592080186 856652994 /nfs/dbraw/zinc/65/29/94/856652994.db2.gz NIJMUUZGBOVLQO-RBUKOAKNSA-N 1 0 397.563 3.710 20 30 GHEDRO COCC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000467265124 856654323 /nfs/dbraw/zinc/65/43/23/856654323.db2.gz TUCJGWAGMFFOAB-MSOLQXFVSA-N 1 0 375.488 3.599 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000485551894 856738848 /nfs/dbraw/zinc/73/88/48/856738848.db2.gz PXZSMCVDQWPKLD-KJXAQDMKSA-N 1 0 394.563 3.640 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000111048807 856754326 /nfs/dbraw/zinc/75/43/26/856754326.db2.gz WADOTKQINAYHID-CQSZACIVSA-N 1 0 391.924 3.619 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000592294147 856767153 /nfs/dbraw/zinc/76/71/53/856767153.db2.gz QYDHLKISMKMEFZ-UHFFFAOYSA-N 1 0 397.519 3.836 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC000895135944 856837893 /nfs/dbraw/zinc/83/78/93/856837893.db2.gz OYYCAYMAXHFMPM-FPOVZHCZSA-N 1 0 380.536 3.865 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427907610 856864195 /nfs/dbraw/zinc/86/41/95/856864195.db2.gz VKZYXYAJOVSHMT-RBZQAINGSA-N 1 0 387.527 3.739 20 30 GHEDRO COc1cccc(NC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000111304433 856883362 /nfs/dbraw/zinc/88/33/62/856883362.db2.gz MKIGGLOCKCSFCG-UHFFFAOYSA-N 1 0 384.505 3.533 20 30 GHEDRO O=c1[nH]c2ccccc2cc1C=NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000760980433 856929906 /nfs/dbraw/zinc/92/99/06/856929906.db2.gz MVGPGOHQTIODLZ-XBPUZACXSA-N 1 0 377.513 3.977 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)CC1 ZINC000111495990 856936095 /nfs/dbraw/zinc/93/60/95/856936095.db2.gz ZQULQUAJVLTFGO-GOSISDBHSA-N 1 0 388.556 3.735 20 30 GHEDRO CCCc1c(NC(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)cnn1-c1cccc(C#N)c1 ZINC000592253152 856957678 /nfs/dbraw/zinc/95/76/78/856957678.db2.gz YNNRAFXSHXXLQA-LJQANCHMSA-N 1 0 394.523 3.644 20 30 GHEDRO N#Cc1sc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)nc1Cl ZINC000888406967 856965644 /nfs/dbraw/zinc/96/56/44/856965644.db2.gz NTMDYOXHIFNOFA-UHFFFAOYSA-N 1 0 375.885 3.586 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000173576230 857003300 /nfs/dbraw/zinc/00/33/00/857003300.db2.gz PTGZKUDXNJFDRO-FQEVSTJZSA-N 1 0 391.515 3.941 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000111857007 857027664 /nfs/dbraw/zinc/02/76/64/857027664.db2.gz AYMGKVSDVOYHLP-PELRDEGISA-N 1 0 398.551 3.668 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000733322580 862865095 /nfs/dbraw/zinc/86/50/95/862865095.db2.gz NOPSOYQFCUHJNQ-QHCPKHFHSA-N 1 0 398.934 3.905 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)ccc1OC ZINC000733329898 862871188 /nfs/dbraw/zinc/87/11/88/862871188.db2.gz DXMLKPDJWRBOLV-HNAYVOBHSA-N 1 0 396.487 3.998 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3nc(Cl)c(C#N)s3)C2)CC1 ZINC000888411423 857131675 /nfs/dbraw/zinc/13/16/75/857131675.db2.gz YSLDJRGRTUXHMR-ZDUSSCGKSA-N 1 0 381.933 3.644 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)CC1CCCCC1 ZINC000485865641 857151829 /nfs/dbraw/zinc/15/18/29/857151829.db2.gz WQQWLRAWOCHCCM-QGZVFWFLSA-N 1 0 389.565 3.894 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000174028796 857199903 /nfs/dbraw/zinc/19/99/03/857199903.db2.gz ZSZWUFJZGJLRHR-HNAYVOBHSA-N 1 0 386.496 3.641 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000246108608 857235379 /nfs/dbraw/zinc/23/53/79/857235379.db2.gz NBJDYPMWWNRBFW-ICSRJNTNSA-N 1 0 375.472 3.907 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000672385999 857239723 /nfs/dbraw/zinc/23/97/23/857239723.db2.gz RZSBVBBVLYVBDS-JOCHJYFZSA-N 1 0 393.531 3.963 20 30 GHEDRO CCOCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000438864599 857340052 /nfs/dbraw/zinc/34/00/52/857340052.db2.gz PBEJQEDIXOFHFE-UHFFFAOYSA-N 1 0 392.503 3.835 20 30 GHEDRO COC(=O)[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000246613961 857418230 /nfs/dbraw/zinc/41/82/30/857418230.db2.gz YHIJGDWYYCPXLE-MISYRCLQSA-N 1 0 383.517 3.507 20 30 GHEDRO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000113351406 857453471 /nfs/dbraw/zinc/45/34/71/857453471.db2.gz MOXQQTMPSDIENY-INIZCTEOSA-N 1 0 388.475 3.805 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000442059264 857464274 /nfs/dbraw/zinc/46/42/74/857464274.db2.gz OQUHQGCACVWOHW-UHFFFAOYSA-N 1 0 392.381 3.840 20 30 GHEDRO N#CC1(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000593431047 857585689 /nfs/dbraw/zinc/58/56/89/857585689.db2.gz TWPHKTMMOQTKRZ-HSZRJFAPSA-N 1 0 380.536 3.768 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000442211883 857606171 /nfs/dbraw/zinc/60/61/71/857606171.db2.gz XGHXTCLROQTGSP-INIZCTEOSA-N 1 0 392.381 3.881 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001128301814 857627145 /nfs/dbraw/zinc/62/71/45/857627145.db2.gz LIBPBPHAMXIAEX-NRFANRHFSA-N 1 0 377.488 3.597 20 30 GHEDRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593731923 857670405 /nfs/dbraw/zinc/67/04/05/857670405.db2.gz HIINBMDQMWMAFS-FQEVSTJZSA-N 1 0 385.533 3.589 20 30 GHEDRO N#Cc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(N)c1[N+](=O)[O-] ZINC000553156158 857828604 /nfs/dbraw/zinc/82/86/04/857828604.db2.gz SSOQEVKNZPGGTF-JOCHJYFZSA-N 1 0 391.475 3.541 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCCO1 ZINC000594045036 857852186 /nfs/dbraw/zinc/85/21/86/857852186.db2.gz WMFDHEXLXLEZIA-SOLBZPMBSA-N 1 0 375.538 3.814 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000065931262 857882770 /nfs/dbraw/zinc/88/27/70/857882770.db2.gz AOZGJKUYNQTYLW-UHFFFAOYSA-N 1 0 397.906 3.765 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000594064010 857913430 /nfs/dbraw/zinc/91/34/30/857913430.db2.gz HBPVNBFDYUOUGJ-PUZFROQSSA-N 1 0 392.503 3.793 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594141018 857958015 /nfs/dbraw/zinc/95/80/15/857958015.db2.gz LGBGRACJKQKBCY-UHFFFAOYSA-N 1 0 398.510 3.822 20 30 GHEDRO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 ZINC000543051815 858105481 /nfs/dbraw/zinc/10/54/81/858105481.db2.gz IBKYIQDGJXBVPA-UHFFFAOYSA-N 1 0 383.499 3.954 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000594430165 858174079 /nfs/dbraw/zinc/17/40/79/858174079.db2.gz ZNYXNVQCNXFLBK-NSHDSACASA-N 1 0 386.399 3.587 20 30 GHEDRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1Cl ZINC000594429103 858174215 /nfs/dbraw/zinc/17/42/15/858174215.db2.gz QUDORUKEVLNBQD-KSSFIOAISA-N 1 0 390.915 3.704 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1ccccc1COc1ccccc1Cl ZINC000594433066 858175219 /nfs/dbraw/zinc/17/52/19/858175219.db2.gz KNJGANHVWHVPMQ-IBGZPJMESA-N 1 0 385.895 3.946 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594436646 858177221 /nfs/dbraw/zinc/17/72/21/858177221.db2.gz FEZOOFCKXMTDRA-QZTJIDSGSA-N 1 0 381.524 3.734 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000594447592 858178843 /nfs/dbraw/zinc/17/88/43/858178843.db2.gz ZZCNTJXRWZFTKF-KRWDZBQOSA-N 1 0 378.314 3.566 20 30 GHEDRO CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)Cc1cccc(Br)c1 ZINC000594444421 858179090 /nfs/dbraw/zinc/17/90/90/858179090.db2.gz LVOGHENEDOHPPY-WMLDXEAASA-N 1 0 380.330 3.545 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001127165918 858298366 /nfs/dbraw/zinc/29/83/66/858298366.db2.gz RCMRFXVIGCUBKA-WOJBJXKFSA-N 1 0 378.516 3.915 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000521785326 858323897 /nfs/dbraw/zinc/32/38/97/858323897.db2.gz KQBPTSVAEWZQGM-HXUWFJFHSA-N 1 0 388.512 3.947 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594945966 858342882 /nfs/dbraw/zinc/34/28/82/858342882.db2.gz KLCYSSPKXIUQLO-UHFFFAOYSA-N 1 0 388.920 3.979 20 30 GHEDRO C=CCN1CCC([NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595012048 858350232 /nfs/dbraw/zinc/35/02/32/858350232.db2.gz MXZHXDGZNVESLR-KRWDZBQOSA-N 1 0 382.289 3.519 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000521834601 858371476 /nfs/dbraw/zinc/37/14/76/858371476.db2.gz DFHBTCDHNBRLSW-QVKFZJNVSA-N 1 0 378.476 3.565 20 30 GHEDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000595040831 858377770 /nfs/dbraw/zinc/37/77/70/858377770.db2.gz MPBZOLKOBJXSSI-NXVRBGIVSA-N 1 0 396.447 3.911 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)cc1C ZINC000161621365 858379189 /nfs/dbraw/zinc/37/91/89/858379189.db2.gz JQUQWOSYIGEAKT-HXUWFJFHSA-N 1 0 377.488 3.699 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000067012616 858394841 /nfs/dbraw/zinc/39/48/41/858394841.db2.gz GTZUIJPJQYNHHR-LJQANCHMSA-N 1 0 393.535 3.801 20 30 GHEDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000595242968 858449784 /nfs/dbraw/zinc/44/97/84/858449784.db2.gz SXTQECABEFTIQC-PXNSSMCTSA-N 1 0 398.894 3.878 20 30 GHEDRO N#CCCC[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000595266965 858457974 /nfs/dbraw/zinc/45/79/74/858457974.db2.gz LDWIXFACHGVVQU-YPAWHYETSA-N 1 0 376.504 3.866 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000574988613 858485225 /nfs/dbraw/zinc/48/52/25/858485225.db2.gz ICJLAMODPFJLTG-INIZCTEOSA-N 1 0 385.478 3.661 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000466149239 858486661 /nfs/dbraw/zinc/48/66/61/858486661.db2.gz VTUKEUIFSQJHPU-UHFFFAOYSA-N 1 0 390.616 3.715 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3ncccc3c2)c(OC)c1 ZINC000575040226 858501289 /nfs/dbraw/zinc/50/12/89/858501289.db2.gz QDPBQNPQRJBWGZ-HXUWFJFHSA-N 1 0 378.472 3.501 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000161632566 858554606 /nfs/dbraw/zinc/55/46/06/858554606.db2.gz DNLQYVFWCAFQEZ-NRFANRHFSA-N 1 0 391.515 3.845 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000046888622 858612257 /nfs/dbraw/zinc/61/22/57/858612257.db2.gz RXHMHHFWZRUMNS-UHFFFAOYSA-N 1 0 376.504 3.886 20 30 GHEDRO CC(C)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(F)(F)F ZINC000595653853 858639144 /nfs/dbraw/zinc/63/91/44/858639144.db2.gz QOTYQRDDFIURMZ-UHFFFAOYSA-N 1 0 396.457 3.800 20 30 GHEDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595671503 858644567 /nfs/dbraw/zinc/64/45/67/858644567.db2.gz SGSZUNLHKRSDCT-CRAIPNDOSA-N 1 0 389.565 3.700 20 30 GHEDRO C=CCN1C(=O)N(C[C@H](c2ccc(C)cc2)[NH+](C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000761127988 858649321 /nfs/dbraw/zinc/64/93/21/858649321.db2.gz XEPVREMWTCLJBB-FCHUYYIVSA-N 1 0 391.515 3.659 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccc(Cl)cc1 ZINC000595772608 858666898 /nfs/dbraw/zinc/66/68/98/858666898.db2.gz JTZSTUPXDJHNAS-MRXNPFEDSA-N 1 0 397.906 3.684 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595785764 858687110 /nfs/dbraw/zinc/68/71/10/858687110.db2.gz GKWMJDAOBTWWIN-UZGQDQSDSA-N 1 0 375.557 3.587 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595790918 858689524 /nfs/dbraw/zinc/68/95/24/858689524.db2.gz ZNWQRNRDHIJKIH-CTDXPQEHSA-N 1 0 375.557 3.587 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1C ZINC000595792428 858690688 /nfs/dbraw/zinc/69/06/88/858690688.db2.gz ZVGQSNSZLQARMZ-IRLDBZIGSA-N 1 0 383.536 3.831 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](O)C23CCCC3)cc1 ZINC000330352951 863058130 /nfs/dbraw/zinc/05/81/30/863058130.db2.gz NWSSGBSEBMQTFK-NQIIRXRSSA-N 1 0 385.552 3.854 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](O)C34CCCC4)c2)CC1 ZINC000330353715 863059283 /nfs/dbraw/zinc/05/92/83/863059283.db2.gz OTWCIYBGCYUREG-OAQYLSRUSA-N 1 0 385.552 3.712 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)COc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000015692033 858781529 /nfs/dbraw/zinc/78/15/29/858781529.db2.gz XCEARZNOIWCNBY-IBGZPJMESA-N 1 0 383.517 3.588 20 30 GHEDRO CC1(C)C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)(C)O1 ZINC000132678936 858789344 /nfs/dbraw/zinc/78/93/44/858789344.db2.gz YLXKOSCKFPLLEL-INIZCTEOSA-N 1 0 375.538 3.763 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000116064741 858810193 /nfs/dbraw/zinc/81/01/93/858810193.db2.gz KIOXTJFITLVEAF-KRWDZBQOSA-N 1 0 379.529 3.992 20 30 GHEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cn(C)c2ccccc12 ZINC000185006402 858836756 /nfs/dbraw/zinc/83/67/56/858836756.db2.gz UZKHPDVMZSAVFH-GOSISDBHSA-N 1 0 388.515 3.744 20 30 GHEDRO CS[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000543231964 858966928 /nfs/dbraw/zinc/96/69/28/858966928.db2.gz KITVTBRLKVCXOO-LJQANCHMSA-N 1 0 388.581 3.553 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466293410 859013904 /nfs/dbraw/zinc/01/39/04/859013904.db2.gz NAHDOVLGDFJFCW-IBGZPJMESA-N 1 0 386.496 3.557 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)CC1(C#N)CCOCC1)c1ccccc1Cl ZINC000596709577 859023681 /nfs/dbraw/zinc/02/36/81/859023681.db2.gz GSXGJAHPXMJFAD-GOSISDBHSA-N 1 0 377.916 3.550 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596733982 859032574 /nfs/dbraw/zinc/03/25/74/859032574.db2.gz MDLWUAKSUKLKSL-IRXDYDNUSA-N 1 0 390.553 3.513 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1C#N ZINC000466669861 859034597 /nfs/dbraw/zinc/03/45/97/859034597.db2.gz HTWIVOHUCFRBNU-GASCZTMLSA-N 1 0 382.483 3.975 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)c1ccccc1O2 ZINC000596789492 859077671 /nfs/dbraw/zinc/07/76/71/859077671.db2.gz HNQHRCZGZPLBQK-LJQANCHMSA-N 1 0 397.425 3.554 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1 ZINC000185585020 859098093 /nfs/dbraw/zinc/09/80/93/859098093.db2.gz UUAHAOLPHILPSV-NQIIRXRSSA-N 1 0 377.488 3.704 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160652981 859098323 /nfs/dbraw/zinc/09/83/23/859098323.db2.gz IUGSFAMYUUCPPW-OAQYLSRUSA-N 1 0 382.483 3.944 20 30 GHEDRO N#CC1(CC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC000596836977 859117830 /nfs/dbraw/zinc/11/78/30/859117830.db2.gz LOLHWXPQOGCKCO-UHFFFAOYSA-N 1 0 382.552 3.569 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000483089509 859144852 /nfs/dbraw/zinc/14/48/52/859144852.db2.gz NMIMZPSWUKMLIG-QGZVFWFLSA-N 1 0 380.366 3.549 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c([N+](=O)[O-])c1 ZINC001170352864 881387754 /nfs/dbraw/zinc/38/77/54/881387754.db2.gz SDBXDTPSAIBMIZ-IERDGZPVSA-N 1 0 395.459 3.949 20 30 GHEDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c([N+](=O)[O-])c1 ZINC001170353748 881390329 /nfs/dbraw/zinc/39/03/29/881390329.db2.gz DTATVLAURYKLIN-KKSFZXQISA-N 1 0 395.459 3.949 20 30 GHEDRO C[C@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1CCC1 ZINC000483141766 859177605 /nfs/dbraw/zinc/17/76/05/859177605.db2.gz HSHBMGCWQWRGSX-OAHLLOKOSA-N 1 0 389.565 3.700 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CCCN(C(=O)c4ccccc4F)CC3)cc2)CC1 ZINC000596980056 859209687 /nfs/dbraw/zinc/20/96/87/859209687.db2.gz UKZSLDZOOBHPTF-UHFFFAOYSA-N 1 0 377.463 3.729 20 30 GHEDRO CC[N@H+](CC(=O)N(C)CCCOc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469595 859323827 /nfs/dbraw/zinc/32/38/27/859323827.db2.gz ZWYQUYFKASZEDN-LJQANCHMSA-N 1 0 379.504 3.869 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483413971 859349362 /nfs/dbraw/zinc/34/93/62/859349362.db2.gz HRGPXCHRNADQHO-HOTGVXAUSA-N 1 0 383.458 3.966 20 30 GHEDRO N#Cc1ccc(CCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000138693003 859368430 /nfs/dbraw/zinc/36/84/30/859368430.db2.gz IAHRAPJWQQXPCX-UHFFFAOYSA-N 1 0 379.529 3.721 20 30 GHEDRO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499735950 859403837 /nfs/dbraw/zinc/40/38/37/859403837.db2.gz XCHCSHMTMRPKRP-LJQANCHMSA-N 1 0 378.520 3.846 20 30 GHEDRO COc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593329820 859430172 /nfs/dbraw/zinc/43/01/72/859430172.db2.gz CSUCAPUCYSKHLR-KRWDZBQOSA-N 1 0 392.503 3.592 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(F)(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170359994 881424232 /nfs/dbraw/zinc/42/42/32/881424232.db2.gz LGTXZOWWYZVIRJ-UHFFFAOYSA-N 1 0 387.499 3.939 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000593342476 859496623 /nfs/dbraw/zinc/49/66/23/859496623.db2.gz PUEFKNNUYLQXDF-FRIKZZABSA-N 1 0 386.499 3.779 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000483638061 859502904 /nfs/dbraw/zinc/50/29/04/859502904.db2.gz IXXMOJVHPHEVRD-XVGQJIODSA-N 1 0 379.426 3.897 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000601744472 859519138 /nfs/dbraw/zinc/51/91/38/859519138.db2.gz MHZFVDVTNOTVBA-UHFFFAOYSA-N 1 0 378.476 3.694 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(c4cccnc4)CCCC3)CC2)c1 ZINC000593348252 859520494 /nfs/dbraw/zinc/52/04/94/859520494.db2.gz JTMCOPZHPQEOCT-UHFFFAOYSA-N 1 0 388.515 3.546 20 30 GHEDRO CCC(CC)n1nc(C)cc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593351856 859531332 /nfs/dbraw/zinc/53/13/32/859531332.db2.gz TWRLZVIOJSEZGK-UHFFFAOYSA-N 1 0 393.535 3.819 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCc4sccc43)CC2)c1 ZINC000593352911 859536988 /nfs/dbraw/zinc/53/69/88/859536988.db2.gz HIGLCWMXRZJBDT-HXUWFJFHSA-N 1 0 379.529 3.820 20 30 GHEDRO CC[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355693 859545290 /nfs/dbraw/zinc/54/52/90/859545290.db2.gz YJBJNYGBXNVTOC-JOCHJYFZSA-N 1 0 375.516 3.908 20 30 GHEDRO CCCOc1cccc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593354573 859555242 /nfs/dbraw/zinc/55/52/42/859555242.db2.gz SNSAIITTZXLDIL-UHFFFAOYSA-N 1 0 391.515 3.670 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(c4ccccc4F)CC3)CC2)c1 ZINC000593355029 859558040 /nfs/dbraw/zinc/55/80/40/859558040.db2.gz VSZHAZDCOWYWST-UHFFFAOYSA-N 1 0 377.463 3.510 20 30 GHEDRO COc1ccccc1C(C)(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355334 859558721 /nfs/dbraw/zinc/55/87/21/859558721.db2.gz NZESNQDMQDSILO-UHFFFAOYSA-N 1 0 391.515 3.625 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)ccc1Cl ZINC000161106807 859593113 /nfs/dbraw/zinc/59/31/13/859593113.db2.gz RTFOGOIHPDGVEJ-DYESRHJHSA-N 1 0 389.927 3.522 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1C ZINC000611094343 859608442 /nfs/dbraw/zinc/60/84/42/859608442.db2.gz FOZITVUDNKMDNG-GOSISDBHSA-N 1 0 392.503 3.890 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000552058338 859677276 /nfs/dbraw/zinc/67/72/76/859677276.db2.gz BYQQBNMCTCDZJK-BAGYTPMASA-N 1 0 377.488 3.828 20 30 GHEDRO C[C@@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000611294032 859686325 /nfs/dbraw/zinc/68/63/25/859686325.db2.gz HPLFWZIKJXKOOO-GOSISDBHSA-N 1 0 391.519 3.962 20 30 GHEDRO N#Cc1c(F)cccc1C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000602003353 859702639 /nfs/dbraw/zinc/70/26/39/859702639.db2.gz IIVIAZULKQWXDF-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1Cl ZINC000611350218 859713822 /nfs/dbraw/zinc/71/38/22/859713822.db2.gz FNXSCUFNGFUVFC-CVEARBPZSA-N 1 0 375.900 3.679 20 30 GHEDRO CC[C@@H](CC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593390354 859720334 /nfs/dbraw/zinc/72/03/34/859720334.db2.gz IFPBMZKDDNOZOC-INIZCTEOSA-N 1 0 382.430 3.553 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1cccc(C#N)c1 ZINC000611388452 859731511 /nfs/dbraw/zinc/73/15/11/859731511.db2.gz OMSSZDRJHVTUSB-GFCCVEGCSA-N 1 0 392.322 3.691 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(C#N)ccc43)C2)c1 ZINC000611393660 859735980 /nfs/dbraw/zinc/73/59/80/859735980.db2.gz JWULHEVYNBXUON-JPYJTQIMSA-N 1 0 377.488 3.821 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)nc2)cc1)C[C@H]1CCCCO1 ZINC000611407211 859744503 /nfs/dbraw/zinc/74/45/03/859744503.db2.gz IRSHTOGZNGYHDH-JOCHJYFZSA-N 1 0 392.503 3.985 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCOCC1 ZINC000611434474 859754837 /nfs/dbraw/zinc/75/48/37/859754837.db2.gz SXGSCYWFASJGCT-QGZVFWFLSA-N 1 0 375.538 3.622 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000474292700 859771626 /nfs/dbraw/zinc/77/16/26/859771626.db2.gz UONNDQUGKOTMRT-KRWDZBQOSA-N 1 0 385.508 3.558 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cncc4ccccc43)CC2)cc1 ZINC000765364294 859929084 /nfs/dbraw/zinc/92/90/84/859929084.db2.gz XLLAJJWLQGHGDV-UHFFFAOYSA-N 1 0 398.510 3.774 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000484299233 859931916 /nfs/dbraw/zinc/93/19/16/859931916.db2.gz WMWSDVPAXRKEAQ-IBGZPJMESA-N 1 0 375.561 3.674 20 30 GHEDRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792597 859934030 /nfs/dbraw/zinc/93/40/30/859934030.db2.gz AFMOCLJZRNADIT-UHFFFAOYSA-N 1 0 387.487 3.669 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000484336724 859954656 /nfs/dbraw/zinc/95/46/56/859954656.db2.gz GTGNXZQTSXWJON-BEFAXECRSA-N 1 0 394.357 3.918 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000484334821 859954770 /nfs/dbraw/zinc/95/47/70/859954770.db2.gz DFVCSYZEVQFBRR-UHFFFAOYSA-N 1 0 375.561 3.815 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000484336730 859954785 /nfs/dbraw/zinc/95/47/85/859954785.db2.gz GTGNXZQTSXWJON-HNAYVOBHSA-N 1 0 394.357 3.918 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(-n4cnc5ccccc54)cc3)n2c1 ZINC000123518580 859987856 /nfs/dbraw/zinc/98/78/56/859987856.db2.gz RVKQYVNPRJEJDY-UHFFFAOYSA-N 1 0 378.439 3.835 20 30 GHEDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c([N+](=O)[O-])c1 ZINC001170351403 881485670 /nfs/dbraw/zinc/48/56/70/881485670.db2.gz GCOIFXQHUYJKCY-JXFKEZNVSA-N 1 0 395.459 3.949 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)COc3ccc(C#N)cc3)sc2c1)C1CC1 ZINC000598026015 860022564 /nfs/dbraw/zinc/02/25/64/860022564.db2.gz DVOZDQQCIFKNCS-UHFFFAOYSA-N 1 0 392.484 3.780 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484484803 860023510 /nfs/dbraw/zinc/02/35/10/860023510.db2.gz COTVXBICOWYDBC-DOMZBBRYSA-N 1 0 382.386 3.547 20 30 GHEDRO C=CCn1c(SC[C@H]2CC[N@@H+](C)C2)nc2sc3c(c2c1=O)CCCC3 ZINC000484482282 860045425 /nfs/dbraw/zinc/04/54/25/860045425.db2.gz YWVYKHIPUKCLOL-ZDUSSCGKSA-N 1 0 375.563 3.567 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(C#N)cc2Cl)c1 ZINC000484534122 860089854 /nfs/dbraw/zinc/08/98/54/860089854.db2.gz RRPXLWDQUYQKDG-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO CC(C)N(Cc1ccccn1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593514113 860100953 /nfs/dbraw/zinc/10/09/53/860100953.db2.gz PTLQDRYCKJYBTA-UHFFFAOYSA-N 1 0 391.519 3.538 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000602562855 860115226 /nfs/dbraw/zinc/11/52/26/860115226.db2.gz HELWEPUFYGFBGB-ZIAGYGMSSA-N 1 0 382.327 3.513 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000602562849 860115310 /nfs/dbraw/zinc/11/53/10/860115310.db2.gz HELWEPUFYGFBGB-KBPBESRZSA-N 1 0 382.327 3.513 20 30 GHEDRO C[C@H](c1noc(C2CC3(C2)C[NH2+]C[C@H]3C#N)n1)c1ccc(Br)cc1 ZINC000904105190 860129086 /nfs/dbraw/zinc/12/90/86/860129086.db2.gz AVCDINRDHQGNNJ-FLLOGLIKSA-N 1 0 387.281 3.591 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)CC1 ZINC001170387556 881503955 /nfs/dbraw/zinc/50/39/55/881503955.db2.gz XBTWXLHXEMEZNY-AGWYQGIESA-N 1 0 399.538 3.996 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C[C@@H]3CCN(c4ccccc4)C3)CC2)nc1 ZINC000602577163 860141091 /nfs/dbraw/zinc/14/10/91/860141091.db2.gz UGRWTNXNXKYLIK-YMISUZCDSA-N 1 0 376.504 3.759 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001168544392 860192693 /nfs/dbraw/zinc/19/26/93/860192693.db2.gz OJJXPSBWUYFALC-YBLQXHRISA-N 1 0 384.549 3.855 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1cccc(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001168544854 860201656 /nfs/dbraw/zinc/20/16/56/860201656.db2.gz MCMJAMKEQMONPU-DOTOQJQBSA-N 1 0 378.476 3.615 20 30 GHEDRO N#CCCN(CC1CC1)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000428907259 860305049 /nfs/dbraw/zinc/30/50/49/860305049.db2.gz NXPQMERCFYSJBJ-UHFFFAOYSA-N 1 0 397.523 3.659 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccnc1 ZINC000922604314 860305290 /nfs/dbraw/zinc/30/52/90/860305290.db2.gz YOSLEUNVLZKFGG-RTWAWAEBSA-N 1 0 379.508 3.809 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888111 860339410 /nfs/dbraw/zinc/33/94/10/860339410.db2.gz PDKBRTINJKGXJC-UYAOXDASSA-N 1 0 399.498 3.754 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000904330745 860344935 /nfs/dbraw/zinc/34/49/35/860344935.db2.gz BDQZSZBXUISYSE-INIZCTEOSA-N 1 0 378.423 3.675 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000904332902 860345713 /nfs/dbraw/zinc/34/57/13/860345713.db2.gz SZZIBRASHNDUOI-QHCPKHFHSA-N 1 0 390.487 3.806 20 30 GHEDRO CC(C)C[C@@H]1CN(CCCc2ccccc2)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598617249 860446593 /nfs/dbraw/zinc/44/65/93/860446593.db2.gz HHNMFHUDFHCKCG-DHIUTWEWSA-N 1 0 385.596 3.952 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000729976996 860480810 /nfs/dbraw/zinc/48/08/10/860480810.db2.gz IBWDUAAFFFUSPP-UHFFFAOYSA-N 1 0 386.499 3.920 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000170935410 860495224 /nfs/dbraw/zinc/49/52/24/860495224.db2.gz LQARPVLGZLPADG-OAQYLSRUSA-N 1 0 380.467 3.642 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000170638447 860495462 /nfs/dbraw/zinc/49/54/62/860495462.db2.gz WQBCGOVKEUARBQ-MRXNPFEDSA-N 1 0 390.524 3.866 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000552425162 860526742 /nfs/dbraw/zinc/52/67/42/860526742.db2.gz HBOKVUCOWGZFRU-ZEQRLZLVSA-N 1 0 392.499 3.547 20 30 GHEDRO C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552428436 860526925 /nfs/dbraw/zinc/52/69/25/860526925.db2.gz BKTSEVFMFPRARW-PXNSSMCTSA-N 1 0 391.490 3.756 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000155653720 860567764 /nfs/dbraw/zinc/56/77/64/860567764.db2.gz VKZTVLZGQINUGR-ICSRJNTNSA-N 1 0 383.442 3.530 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170378723 881554429 /nfs/dbraw/zinc/55/44/29/881554429.db2.gz JLAHSMBVSOLGOR-KQVJYAISSA-N 1 0 399.535 3.616 20 30 GHEDRO C#CCCC1(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)N=N1 ZINC001168555998 860595877 /nfs/dbraw/zinc/59/58/77/860595877.db2.gz XFCQLJXTGRPGOU-KGLIPLIRSA-N 1 0 388.434 3.872 20 30 GHEDRO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000076800361 860682446 /nfs/dbraw/zinc/68/24/46/860682446.db2.gz KXEPPPYPZDYAGQ-WIYYLYMNSA-N 1 0 376.504 3.783 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598615 881571556 /nfs/dbraw/zinc/57/15/56/881571556.db2.gz VXTYZQTYXHTSBX-OAQYLSRUSA-N 1 0 382.483 3.586 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)CCOCC2)cc1 ZINC000599005762 860723883 /nfs/dbraw/zinc/72/38/83/860723883.db2.gz ROYNYNYZFHZVEH-QFIPXVFZSA-N 1 0 378.472 3.521 20 30 GHEDRO Cc1oc(NC(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c1C ZINC000156551145 860831489 /nfs/dbraw/zinc/83/14/89/860831489.db2.gz LRLVFWSVNYGVBM-OXQOHEQNSA-N 1 0 394.519 3.692 20 30 GHEDRO N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)c2)cc1 ZINC000494355688 881586309 /nfs/dbraw/zinc/58/63/09/881586309.db2.gz HBXUGCOWUGDQQC-JOCHJYFZSA-N 1 0 375.472 3.897 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692790 860859700 /nfs/dbraw/zinc/85/97/00/860859700.db2.gz KFSZRBQDXIDDPV-CPJSRVTESA-N 1 0 388.559 3.633 20 30 GHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000730092628 860869180 /nfs/dbraw/zinc/86/91/80/860869180.db2.gz NHZNAAHSRQGYSD-UHFFFAOYSA-N 1 0 378.520 3.935 20 30 GHEDRO CC1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC(F)(F)CC1 ZINC000600083968 860925828 /nfs/dbraw/zinc/92/58/28/860925828.db2.gz ZNECGWGBKDPOKO-UHFFFAOYSA-N 1 0 375.463 3.854 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CC3CCC(F)(F)CC3)CC2)c1 ZINC000600083554 860926598 /nfs/dbraw/zinc/92/65/98/860926598.db2.gz VFVQRLLEFMXHNY-UHFFFAOYSA-N 1 0 375.463 3.854 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593703854 860933109 /nfs/dbraw/zinc/93/31/09/860933109.db2.gz WVGLJCUCMHNQBD-QGZVFWFLSA-N 1 0 394.494 3.669 20 30 GHEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000329015613 860949049 /nfs/dbraw/zinc/94/90/49/860949049.db2.gz JYHVECRVWGOUTH-HXUWFJFHSA-N 1 0 383.536 3.646 20 30 GHEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC1CC1 ZINC000600104919 860991739 /nfs/dbraw/zinc/99/17/39/860991739.db2.gz CFRHOSOXYDQYAL-UHFFFAOYSA-N 1 0 391.515 3.816 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599268661 861017536 /nfs/dbraw/zinc/01/75/36/861017536.db2.gz HSGOCJSJBFDBCG-IBGZPJMESA-N 1 0 381.520 3.727 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)nn1-c1ccccc1 ZINC000329105810 861022363 /nfs/dbraw/zinc/02/23/63/861022363.db2.gz DDPJMCOAGVLELX-UHFFFAOYSA-N 1 0 381.524 3.726 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000603692297 861027086 /nfs/dbraw/zinc/02/70/86/861027086.db2.gz GDRFCVIABOMDQG-UHFFFAOYSA-N 1 0 393.491 3.987 20 30 GHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000599300413 861042626 /nfs/dbraw/zinc/04/26/26/861042626.db2.gz XYULBPOPYRKENV-QHAWAJNXSA-N 1 0 392.584 3.898 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000603689331 861046361 /nfs/dbraw/zinc/04/63/61/861046361.db2.gz HUAUHCPAPHSZHD-SJORKVTESA-N 1 0 393.491 3.987 20 30 GHEDRO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000329149799 861066846 /nfs/dbraw/zinc/06/68/46/861066846.db2.gz QXXBPQOHNWWLEG-SFTDATJTSA-N 1 0 395.547 3.961 20 30 GHEDRO CCc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000329147869 861067197 /nfs/dbraw/zinc/06/71/97/861067197.db2.gz PHMNWBIQXQVABD-DLBZAZTESA-N 1 0 383.540 3.632 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1COc2ccccc21 ZINC000185607139 861068894 /nfs/dbraw/zinc/06/88/94/861068894.db2.gz NHMUAYGNSMOTRI-KDOFPFPSSA-N 1 0 395.528 3.981 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000599353620 861094473 /nfs/dbraw/zinc/09/44/73/861094473.db2.gz KGVYPCBTXUJMLE-BEFAXECRSA-N 1 0 384.451 3.577 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(C)(C)C ZINC000599354428 861097394 /nfs/dbraw/zinc/09/73/94/861097394.db2.gz VOUJKTKFTFWDDI-PMACEKPBSA-N 1 0 388.552 3.758 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730432590 861116195 /nfs/dbraw/zinc/11/61/95/861116195.db2.gz MHUJQPDWIWEABI-QAPCUYQASA-N 1 0 386.430 3.852 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CC(=O)NC)c2ccccc2)cc1OC ZINC000623512654 861134261 /nfs/dbraw/zinc/13/42/61/861134261.db2.gz PNNBZLBTEBCUKH-SFHVURJKSA-N 1 0 388.895 3.880 20 30 GHEDRO Cc1nc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(Br)s1 ZINC000329212782 861151607 /nfs/dbraw/zinc/15/16/07/861151607.db2.gz IILUXQQYMATWFB-UHFFFAOYSA-N 1 0 395.326 3.830 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599416340 861160518 /nfs/dbraw/zinc/16/05/18/861160518.db2.gz IGOADDBMEJRGKS-WBVHZDCISA-N 1 0 384.442 3.640 20 30 GHEDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329233143 861178466 /nfs/dbraw/zinc/17/84/66/861178466.db2.gz LTDVDMQJQRCRTR-CBPXPLCBSA-N 1 0 385.552 3.753 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2CCCc3nn(C)cc32)C[C@@H](C)O1 ZINC000329232842 861178752 /nfs/dbraw/zinc/17/87/52/861178752.db2.gz GJUWXGVLOVJVBA-JFIYKMOQSA-N 1 0 382.508 3.737 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161707857 861178833 /nfs/dbraw/zinc/17/88/33/861178833.db2.gz IFSZSIALBPEPMF-KRWDZBQOSA-N 1 0 386.503 3.767 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C12CCC2 ZINC001168337472 881630683 /nfs/dbraw/zinc/63/06/83/881630683.db2.gz FSSZEXOEBNLEIG-LEWJYISDSA-N 1 0 375.472 3.953 20 30 GHEDRO CCCc1c(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)cnn1-c1cccc(C#N)c1 ZINC000439672198 863163467 /nfs/dbraw/zinc/16/34/67/863163467.db2.gz JMGQBYHMJVJKDA-IBGZPJMESA-N 1 0 394.523 3.644 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000733789842 863167488 /nfs/dbraw/zinc/16/74/88/863167488.db2.gz WLYYNSSHFKJWLP-NRFANRHFSA-N 1 0 377.488 3.893 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000733802476 863171309 /nfs/dbraw/zinc/17/13/09/863171309.db2.gz MHYJMUJVXBNRGL-RXVVDRJESA-N 1 0 394.519 3.687 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000733800425 863191876 /nfs/dbraw/zinc/19/18/76/863191876.db2.gz ZYIJLZLDYMPASE-IEBWSBKVSA-N 1 0 386.521 3.531 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000733848003 863200835 /nfs/dbraw/zinc/20/08/35/863200835.db2.gz KBCVUICDOPFOJL-JUXOCIIHSA-N 1 0 386.540 3.677 20 30 GHEDRO C[C@H](CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000482493197 863221964 /nfs/dbraw/zinc/22/19/64/863221964.db2.gz WPXBNUCZKZGJKQ-GOSISDBHSA-N 1 0 379.504 3.742 20 30 GHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000159995146 863231142 /nfs/dbraw/zinc/23/11/42/863231142.db2.gz ZDTODZSLTYLYQQ-GOSISDBHSA-N 1 0 391.519 3.519 20 30 GHEDRO COc1cc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)ccc1C#N ZINC000281610080 863283383 /nfs/dbraw/zinc/28/33/83/863283383.db2.gz GPBBYEVDOPCYOM-UHFFFAOYSA-N 1 0 391.265 3.636 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000281685233 863325152 /nfs/dbraw/zinc/32/51/52/863325152.db2.gz BBAMZVXLGKJVDO-FGZHOGPDSA-N 1 0 385.552 3.521 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262377380 863332425 /nfs/dbraw/zinc/33/24/25/863332425.db2.gz JTUNLJXAMLEYLC-OTWHNJEPSA-N 1 0 382.508 3.600 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(c4ccccc4)CC3)C2)c(F)c1 ZINC000160168403 863373542 /nfs/dbraw/zinc/37/35/42/863373542.db2.gz YEBBMQFSRNQECE-FQEVSTJZSA-N 1 0 378.495 3.925 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000281893968 863452446 /nfs/dbraw/zinc/45/24/46/863452446.db2.gz PLLHRPVDVFCGKE-QFIPXVFZSA-N 1 0 391.515 3.509 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCc2noc3ccccc23)CC1 ZINC000593951762 863453988 /nfs/dbraw/zinc/45/39/88/863453988.db2.gz QPUKMPLOBOLGMK-UHFFFAOYSA-N 1 0 383.455 3.612 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000262406315 863616682 /nfs/dbraw/zinc/61/66/82/863616682.db2.gz ONYPGYZZRVIWFF-UZKOGDIHSA-N 1 0 379.504 3.891 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H](CCO)c1ccccc1 ZINC000444236211 863731445 /nfs/dbraw/zinc/73/14/45/863731445.db2.gz IEJOXEGIEKGDNK-LJQANCHMSA-N 1 0 397.544 3.883 20 30 GHEDRO C[N@H+](CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CCCC1 ZINC000609199403 881695799 /nfs/dbraw/zinc/69/57/99/881695799.db2.gz JTQJKTVRJTZRGL-UHFFFAOYSA-N 1 0 383.521 3.601 20 30 GHEDRO [NH2+]=C(NCc1cccc2c1OCCCO2)Nc1cccc(OC(F)(F)F)c1 ZINC000262417237 863805276 /nfs/dbraw/zinc/80/52/76/863805276.db2.gz ZLUOPZIAIQXWCB-UHFFFAOYSA-N 1 0 381.354 3.673 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870424 863840922 /nfs/dbraw/zinc/84/09/22/863840922.db2.gz SUSKVOUSEIASKP-HXUWFJFHSA-N 1 0 394.515 3.997 20 30 GHEDRO Oc1ccc(/C=N\[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(O)c1O ZINC000733903915 863847509 /nfs/dbraw/zinc/84/75/09/863847509.db2.gz SLRDAKACHVZDNI-WKWNYLMRSA-N 1 0 380.366 3.516 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@@H]1CCCCO1 ZINC000594044456 863891026 /nfs/dbraw/zinc/89/10/26/863891026.db2.gz REEMYWZDOWVBQB-UXHICEINSA-N 1 0 386.540 3.968 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659302915 863957849 /nfs/dbraw/zinc/95/78/49/863957849.db2.gz QVDWIASNEDRZKC-ZDUSSCGKSA-N 1 0 398.322 3.943 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H](C)C1 ZINC000120767658 881714514 /nfs/dbraw/zinc/71/45/14/881714514.db2.gz HAKZTCAVALESHZ-GCJKJVERSA-N 1 0 376.504 3.675 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000734167849 864044116 /nfs/dbraw/zinc/04/41/16/864044116.db2.gz DYJNWZGBMVJLSH-UHFFFAOYSA-N 1 0 383.536 3.543 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000734217148 864089701 /nfs/dbraw/zinc/08/97/01/864089701.db2.gz DGCUFWQUFRGWHI-UHFFFAOYSA-N 1 0 391.515 3.505 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000734296998 864129737 /nfs/dbraw/zinc/12/97/37/864129737.db2.gz QRRSBGGBJGCUAR-KRWDZBQOSA-N 1 0 389.503 3.869 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000734388410 864208469 /nfs/dbraw/zinc/20/84/69/864208469.db2.gz UQADBBOVASGNGP-RDTXWAMCSA-N 1 0 394.972 3.635 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000920137710 881751135 /nfs/dbraw/zinc/75/11/35/881751135.db2.gz GGJSQGGGWNQAIY-GOSISDBHSA-N 1 0 394.471 3.796 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000734658865 864376015 /nfs/dbraw/zinc/37/60/15/864376015.db2.gz LYJDVPSQFXEGDG-FGZHOGPDSA-N 1 0 378.520 3.835 20 30 GHEDRO C=CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccncc1 ZINC000734678791 864379057 /nfs/dbraw/zinc/37/90/57/864379057.db2.gz IKQJEUUBVIBFPV-QFIPXVFZSA-N 1 0 394.519 3.625 20 30 GHEDRO C=CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccncc1 ZINC000734683921 864382239 /nfs/dbraw/zinc/38/22/39/864382239.db2.gz PXQICSFJJTZCLY-JOCHJYFZSA-N 1 0 378.520 3.925 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000249067082 864420277 /nfs/dbraw/zinc/42/02/77/864420277.db2.gz JHTHEDTXOZDTDW-PXNSSMCTSA-N 1 0 379.529 3.851 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000465411057 881767592 /nfs/dbraw/zinc/76/75/92/881767592.db2.gz ODQXKCWSLJDFJW-NJYVYQBISA-N 1 0 392.503 3.898 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000554500838 864451828 /nfs/dbraw/zinc/45/18/28/864451828.db2.gz OBEROTUSZHKIKN-XPIZARPCSA-N 1 0 388.895 3.512 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000465411056 881768003 /nfs/dbraw/zinc/76/80/03/881768003.db2.gz ODQXKCWSLJDFJW-NJDAHSKKSA-N 1 0 392.503 3.898 20 30 GHEDRO C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272206323 881778418 /nfs/dbraw/zinc/77/84/18/881778418.db2.gz BLFUIQIWNANMDP-GCJKJVERSA-N 1 0 376.504 3.610 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000184526948 864634169 /nfs/dbraw/zinc/63/41/69/864634169.db2.gz VNILUBNSMUNVSP-QAPCUYQASA-N 1 0 379.485 3.772 20 30 GHEDRO C#CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc21 ZINC000735308573 864734389 /nfs/dbraw/zinc/73/43/89/864734389.db2.gz JPVGNYWGHLDNPS-IBGZPJMESA-N 1 0 391.427 3.516 20 30 GHEDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735363704 864749987 /nfs/dbraw/zinc/74/99/87/864749987.db2.gz DZPZTILCRQXTSV-UHFFFAOYSA-N 1 0 385.895 3.711 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000735492662 864829633 /nfs/dbraw/zinc/82/96/33/864829633.db2.gz RQKHXQHYQOHWAN-UHFFFAOYSA-N 1 0 384.867 3.828 20 30 GHEDRO C=CCn1c(C)nn(CN(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1=S ZINC000173548641 864866383 /nfs/dbraw/zinc/86/63/83/864866383.db2.gz NQWNIBYRCLZUST-FQEVSTJZSA-N 1 0 385.581 3.710 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000173859326 865123735 /nfs/dbraw/zinc/12/37/35/865123735.db2.gz AJIUBPRTEXNZRW-DLBZAZTESA-N 1 0 379.460 3.710 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000121054831 881844429 /nfs/dbraw/zinc/84/44/29/881844429.db2.gz BAXOZBLDUCIUHV-UHFFFAOYSA-N 1 0 394.471 3.831 20 30 GHEDRO C=C(Cl)CNC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000736403636 865191135 /nfs/dbraw/zinc/19/11/35/865191135.db2.gz XFSGJDAWDLKXHJ-QGZVFWFLSA-N 1 0 375.925 3.899 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc(OC)c1OC ZINC000792969313 881855212 /nfs/dbraw/zinc/85/52/12/881855212.db2.gz ADHIIXZGQYRDLH-UHFFFAOYSA-N 1 0 384.501 3.636 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2sc(-c3ccc(OCC)cc3)nc2C)CC1 ZINC000171719389 865343244 /nfs/dbraw/zinc/34/32/44/865343244.db2.gz KKVVQTFVEXKZCJ-UHFFFAOYSA-N 1 0 385.533 3.897 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccc(F)cc1 ZINC000594211718 865389660 /nfs/dbraw/zinc/38/96/60/865389660.db2.gz NCSJFLNEMIIGRR-HXUWFJFHSA-N 1 0 380.467 3.679 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1cccc(F)c1 ZINC000594215759 865419258 /nfs/dbraw/zinc/41/92/58/865419258.db2.gz PHTWXXSTBNNGPE-FQEVSTJZSA-N 1 0 380.467 3.679 20 30 GHEDRO N#CCc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000172230349 865531769 /nfs/dbraw/zinc/53/17/69/865531769.db2.gz ABDBNTATILLLCG-IBGZPJMESA-N 1 0 387.405 3.776 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000555132322 865552684 /nfs/dbraw/zinc/55/26/84/865552684.db2.gz JYVITYJXIZCRAI-FPOVZHCZSA-N 1 0 379.495 3.503 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000555268268 865805302 /nfs/dbraw/zinc/80/53/02/865805302.db2.gz JPIYIMGPYFMABK-SFHVURJKSA-N 1 0 385.531 3.752 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000481112573 865815904 /nfs/dbraw/zinc/81/59/04/865815904.db2.gz RTUMBVMCWSHNBI-UHFFFAOYSA-N 1 0 394.357 3.644 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000555290772 865854517 /nfs/dbraw/zinc/85/45/17/865854517.db2.gz DFOMLXNHXMHWLH-UHFFFAOYSA-N 1 0 395.551 3.636 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1C#N ZINC000174579381 865928622 /nfs/dbraw/zinc/92/86/22/865928622.db2.gz IIKKFZLXMHCECM-IBGZPJMESA-N 1 0 381.476 3.922 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455976236 865967255 /nfs/dbraw/zinc/96/72/55/865967255.db2.gz WLYUDYRXTMYQTG-UHFFFAOYSA-N 1 0 387.709 3.802 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1OC ZINC000153093976 881926299 /nfs/dbraw/zinc/92/62/99/881926299.db2.gz PJCRPGSXAYUGBR-OTVXOJSOSA-N 1 0 384.314 3.663 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456018321 866026329 /nfs/dbraw/zinc/02/63/29/866026329.db2.gz OBOURAFGXXBWCQ-UHFFFAOYSA-N 1 0 399.579 3.724 20 30 GHEDRO CCC[N@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740857449 866044463 /nfs/dbraw/zinc/04/44/63/866044463.db2.gz CZUJICZYDNTEBV-VAMGGRTRSA-N 1 0 379.508 3.608 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000143340055 866051110 /nfs/dbraw/zinc/05/11/10/866051110.db2.gz IASDZDWQAAWATO-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189649559 881958033 /nfs/dbraw/zinc/95/80/33/881958033.db2.gz FFPSYRFCAUZTGV-QKYXUNIQSA-N 1 0 382.907 3.817 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508491026 866272908 /nfs/dbraw/zinc/27/29/08/866272908.db2.gz SGSYXQVMPAYAOG-UHFFFAOYSA-N 1 0 394.567 3.865 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508492938 866307085 /nfs/dbraw/zinc/30/70/85/866307085.db2.gz XJRZLPTXEBPQMA-OXJNMPFZSA-N 1 0 381.499 3.723 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H](C(F)(F)F)C1 ZINC000499307599 881968191 /nfs/dbraw/zinc/96/81/91/881968191.db2.gz GQMVQRUSPNCOMD-QZTJIDSGSA-N 1 0 393.453 3.958 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)nc2)cc1Cl ZINC000303889902 866386719 /nfs/dbraw/zinc/38/67/19/866386719.db2.gz MHDJQFKAPUEYLJ-UHFFFAOYSA-N 1 0 388.777 3.612 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000121447518 866443239 /nfs/dbraw/zinc/44/32/39/866443239.db2.gz XGRXTZJBPWHZCS-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C[N@H+](CCCOc1ccccc1CNC(=O)c1ccc(C#N)nc1)C1CCCC1 ZINC001126614048 866537440 /nfs/dbraw/zinc/53/74/40/866537440.db2.gz ZHWIOHGHJJMJPV-UHFFFAOYSA-N 1 0 392.503 3.527 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCCC1)C(=O)N(C)CCC#N ZINC000610008687 866605908 /nfs/dbraw/zinc/60/59/08/866605908.db2.gz NFCGBGVXHUUJFP-HNNXBMFYSA-N 1 0 392.341 3.611 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000183362938 866642627 /nfs/dbraw/zinc/64/26/27/866642627.db2.gz FFZWUFLOELXTKX-NRFANRHFSA-N 1 0 376.435 3.751 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCSc4ccc(F)cc43)C2=O)cc1 ZINC000190613835 882002901 /nfs/dbraw/zinc/00/29/01/882002901.db2.gz GPVHGANLQQXIOY-MOPGFXCFSA-N 1 0 381.476 3.625 20 30 GHEDRO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183462892 866734284 /nfs/dbraw/zinc/73/42/84/866734284.db2.gz LSAAUHYIYRFSND-HIFRSBDPSA-N 1 0 392.450 3.934 20 30 GHEDRO CCN(CC)C(=O)C1([NH2+]Cc2cc(Cl)ccc2OCC#N)CCCCC1 ZINC000741791812 866796925 /nfs/dbraw/zinc/79/69/25/866796925.db2.gz HRJVCRQTKXVEGX-UHFFFAOYSA-N 1 0 377.916 3.903 20 30 GHEDRO C#CC[C@H](OC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccccn1 ZINC000183615988 866915435 /nfs/dbraw/zinc/91/54/35/866915435.db2.gz LMUUWSBJQBTXSO-QFIPXVFZSA-N 1 0 377.488 3.533 20 30 GHEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000542625835 866932099 /nfs/dbraw/zinc/93/20/99/866932099.db2.gz CSSHBKQODVKLHG-LBPRGKRZSA-N 1 0 377.897 3.731 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000742099209 867044561 /nfs/dbraw/zinc/04/45/61/867044561.db2.gz JBDQHAFQUMEUJX-UHFFFAOYSA-N 1 0 381.457 3.949 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444728226 867106981 /nfs/dbraw/zinc/10/69/81/867106981.db2.gz QZSIYBFBRVFSKS-WZONZLPQSA-N 1 0 379.504 3.971 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000553312682 867148959 /nfs/dbraw/zinc/14/89/59/867148959.db2.gz UKPXGZLCSANAES-OAQYLSRUSA-N 1 0 394.906 3.869 20 30 GHEDRO CC(C)OC1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000152032998 867180623 /nfs/dbraw/zinc/18/06/23/867180623.db2.gz OGGJWOYZYGDAIH-UHFFFAOYSA-N 1 0 398.551 3.512 20 30 GHEDRO C=CC[C@@H]1[N@H+](C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CCCC1(C)C ZINC000444773934 867214493 /nfs/dbraw/zinc/21/44/93/867214493.db2.gz GXRHYBPTBPCPSN-NQIIRXRSSA-N 1 0 375.509 3.704 20 30 GHEDRO COc1cccc([C@@H](C)N2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)c1 ZINC000455922465 867248235 /nfs/dbraw/zinc/24/82/35/867248235.db2.gz QVSTWONKBZYEQJ-QGZVFWFLSA-N 1 0 378.476 3.672 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000553364899 867269526 /nfs/dbraw/zinc/26/95/26/867269526.db2.gz BJVXXPZEMUEKPA-JPYJTQIMSA-N 1 0 387.483 3.905 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000742378059 867270579 /nfs/dbraw/zinc/27/05/79/867270579.db2.gz VBGPIRBHVASKKB-UHFFFAOYSA-N 1 0 385.261 3.501 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000533948040 867295540 /nfs/dbraw/zinc/29/55/40/867295540.db2.gz MXNUECDKPHTORV-GPJHCHHRSA-N 1 0 388.515 3.913 20 30 GHEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C#N)c(C)c1C ZINC000534753048 867376655 /nfs/dbraw/zinc/37/66/55/867376655.db2.gz ZFHCGSXQOUICOY-CTNGQTDRSA-N 1 0 394.544 3.532 20 30 GHEDRO N#CC1(NC(=O)CCCOc2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479238523 867389168 /nfs/dbraw/zinc/38/91/68/867389168.db2.gz DEQYOFKXXQZBLO-UHFFFAOYSA-N 1 0 395.478 3.659 20 30 GHEDRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c(C)c1 ZINC000553486409 867531524 /nfs/dbraw/zinc/53/15/24/867531524.db2.gz LCFHOGCASUDZER-GOSISDBHSA-N 1 0 387.487 3.992 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742794413 867558901 /nfs/dbraw/zinc/55/89/01/867558901.db2.gz WZTZGBJCVXVXKZ-IBGZPJMESA-N 1 0 388.471 3.597 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(c3c(C#N)cnc4c(Br)cccc43)CC[C@H]21 ZINC000440650521 867713431 /nfs/dbraw/zinc/71/34/31/867713431.db2.gz IESJPNBPPUBLBT-CXAGYDPISA-N 1 0 385.309 3.789 20 30 GHEDRO CC[N@H+](CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21)CCC(F)(F)F ZINC000553583148 867728707 /nfs/dbraw/zinc/72/87/07/867728707.db2.gz UDYJFVBKYYEDJC-UHFFFAOYSA-N 1 0 390.331 3.632 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(c3c(C#N)cnc4c(Br)cccc43)CC[C@@H]21 ZINC000440650525 867740456 /nfs/dbraw/zinc/74/04/56/867740456.db2.gz IESJPNBPPUBLBT-DYVFJYSZSA-N 1 0 385.309 3.789 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000743078634 867801538 /nfs/dbraw/zinc/80/15/38/867801538.db2.gz LGQNIKXKZBHEJT-UHFFFAOYSA-N 1 0 396.466 3.624 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000021406272 867827907 /nfs/dbraw/zinc/82/79/07/867827907.db2.gz QKLAPBKUEXHNLB-GOSISDBHSA-N 1 0 394.494 3.541 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534963348 867878467 /nfs/dbraw/zinc/87/84/67/867878467.db2.gz XVFQPTGJZHZHDJ-UHFFFAOYSA-N 1 0 388.515 3.756 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000523768943 867935942 /nfs/dbraw/zinc/93/59/42/867935942.db2.gz BVRXEAVSIZUMGR-RXVVDRJESA-N 1 0 391.531 3.660 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000743194585 867941439 /nfs/dbraw/zinc/94/14/39/867941439.db2.gz OMFLDFJNRQIQKR-UHFFFAOYSA-N 1 0 399.441 3.763 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC1 ZINC000743489825 868235962 /nfs/dbraw/zinc/23/59/62/868235962.db2.gz KCNWTJRKMFNXST-UHFFFAOYSA-N 1 0 399.922 3.544 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2Nc2cccc(OC)c2)CC1 ZINC000743492386 868237133 /nfs/dbraw/zinc/23/71/33/868237133.db2.gz VJUZYBKFGQVJOM-UHFFFAOYSA-N 1 0 377.488 3.656 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508844688 868284313 /nfs/dbraw/zinc/28/43/13/868284313.db2.gz KDTPGBCTCUNANS-SFHVURJKSA-N 1 0 390.535 3.687 20 30 GHEDRO CCCCCCCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000743584597 868287555 /nfs/dbraw/zinc/28/75/55/868287555.db2.gz VXZFZSHLFCLFAT-HNNXBMFYSA-N 1 0 375.966 3.655 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3cc(C#N)cs3)CCCC2)cc1OC ZINC000428400448 868300231 /nfs/dbraw/zinc/30/02/31/868300231.db2.gz LIUSWENYZJSAGR-UHFFFAOYSA-N 1 0 385.489 3.678 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1ccccc1 ZINC000553860110 868346899 /nfs/dbraw/zinc/34/68/99/868346899.db2.gz UTZPPLYUNNVSMJ-UHFFFAOYSA-N 1 0 385.895 3.731 20 30 GHEDRO CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000524109033 868541482 /nfs/dbraw/zinc/54/14/82/868541482.db2.gz IKORALNOKPEGGJ-KRWDZBQOSA-N 1 0 392.503 3.523 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000669807876 868568286 /nfs/dbraw/zinc/56/82/86/868568286.db2.gz OZSJCCMPEFMYAG-UHFFFAOYSA-N 1 0 379.552 3.704 20 30 GHEDRO C#Cc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001124681079 868605518 /nfs/dbraw/zinc/60/55/18/868605518.db2.gz KYAQQAYTROEDJB-BJKOFHAPSA-N 1 0 381.479 3.917 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1C ZINC000594758219 868608728 /nfs/dbraw/zinc/60/87/28/868608728.db2.gz IOKBEYIBGZVAOP-XJKSGUPXSA-N 1 0 391.562 3.575 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000744288962 868717371 /nfs/dbraw/zinc/71/73/71/868717371.db2.gz HSEDZOUPIHHGJD-JOCHJYFZSA-N 1 0 393.506 3.883 20 30 GHEDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C1 ZINC000091949281 882222090 /nfs/dbraw/zinc/22/20/90/882222090.db2.gz PTLYDLCQTQMYSP-IBGZPJMESA-N 1 0 383.536 3.840 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)c2occc2COc2cccc(C#N)c2)c1 ZINC000102330003 882227130 /nfs/dbraw/zinc/22/71/30/882227130.db2.gz YSPBLKOGFPRYJI-UHFFFAOYSA-N 1 0 389.455 3.722 20 30 GHEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744406350 868816284 /nfs/dbraw/zinc/81/62/84/868816284.db2.gz DAXJBEFVSNNOIU-OAHLLOKOSA-N 1 0 380.879 3.636 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCC(=O)OC(C)(C)C ZINC000744450099 868852031 /nfs/dbraw/zinc/85/20/31/868852031.db2.gz LLSXXMUNWIFKAP-UHFFFAOYSA-N 1 0 382.298 3.673 20 30 GHEDRO COc1cc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)ccc1C#N ZINC000442800937 868933297 /nfs/dbraw/zinc/93/32/97/868933297.db2.gz LEKOEZZHXVONKC-HKUYNNGSSA-N 1 0 377.271 3.964 20 30 GHEDRO CC[NH+](CC)CCN1c2ccccc2C(=NN=c2ccc3ccccc3[nH]2)C1=O ZINC000744595734 868966388 /nfs/dbraw/zinc/96/63/88/868966388.db2.gz AZNPXZZBOLSQAS-UHFFFAOYSA-N 1 0 387.487 3.739 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000445986088 869238193 /nfs/dbraw/zinc/23/81/93/869238193.db2.gz QVNFSXYMCJSPQD-YQVWRLOYSA-N 1 0 379.426 3.740 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000539509980 869274037 /nfs/dbraw/zinc/27/40/37/869274037.db2.gz MDBIRCYJBYYSMA-ACJLOTCBSA-N 1 0 389.377 3.913 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1)CC1CC1 ZINC000462481875 869520358 /nfs/dbraw/zinc/52/03/58/869520358.db2.gz ZLGQRMONUNXVHK-UHFFFAOYSA-N 1 0 398.551 3.610 20 30 GHEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccccc3C#N)cc1)CC2 ZINC000152877073 869574700 /nfs/dbraw/zinc/57/47/00/869574700.db2.gz UAMYRJONHRYVOC-DHIUTWEWSA-N 1 0 376.500 3.977 20 30 GHEDRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000441014780 869794137 /nfs/dbraw/zinc/79/41/37/869794137.db2.gz JQZSTJPNLJAQGN-IFXJQAMLSA-N 1 0 395.528 3.761 20 30 GHEDRO C=CC[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000745826450 869847914 /nfs/dbraw/zinc/84/79/14/869847914.db2.gz VBWAGEZWOJBYSX-UNMCSNQZSA-N 1 0 378.520 3.862 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000745890843 869867513 /nfs/dbraw/zinc/86/75/13/869867513.db2.gz COCLLUWGFSUFLF-UWJYYQICSA-N 1 0 394.494 3.892 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1cc(C#N)ccc1F ZINC000745891239 869867601 /nfs/dbraw/zinc/86/76/01/869867601.db2.gz MFWBEMHSXFPJQE-UHFFFAOYSA-N 1 0 388.512 3.812 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F ZINC000745890945 869868053 /nfs/dbraw/zinc/86/80/53/869868053.db2.gz FFQNWEAYVPQVBI-UHFFFAOYSA-N 1 0 382.483 3.751 20 30 GHEDRO N#Cc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(F)c1 ZINC000525115249 870015945 /nfs/dbraw/zinc/01/59/45/870015945.db2.gz KFKCFBXNDFIGKC-UHFFFAOYSA-N 1 0 383.492 3.702 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000539932977 870031468 /nfs/dbraw/zinc/03/14/68/870031468.db2.gz ZUSVBEZNPYSHQW-OAQYLSRUSA-N 1 0 395.528 3.612 20 30 GHEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccc(F)cc2)nnc1-c1ccccn1 ZINC000185695776 870216582 /nfs/dbraw/zinc/21/65/82/870216582.db2.gz LTRCLAYXOSIGRB-UHFFFAOYSA-N 1 0 383.496 3.889 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793765326 882392300 /nfs/dbraw/zinc/39/23/00/882392300.db2.gz IHMYJNKFZKGMPW-NRFANRHFSA-N 1 0 383.565 3.561 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)c1C#N ZINC001192304066 870304911 /nfs/dbraw/zinc/30/49/11/870304911.db2.gz RAAPCIKVWHJJGH-QGZVFWFLSA-N 1 0 380.467 3.775 20 30 GHEDRO CC[NH+](CC)CCSCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000461522701 870315035 /nfs/dbraw/zinc/31/50/35/870315035.db2.gz XSQPPQBNPLXDKV-UHFFFAOYSA-N 1 0 384.549 3.979 20 30 GHEDRO C=CC[C@@H]1[N@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)CCCC1(C)C ZINC000446825486 870479591 /nfs/dbraw/zinc/47/95/91/870479591.db2.gz CCFWIPIOSFFQNY-KRWDZBQOSA-N 1 0 380.916 3.779 20 30 GHEDRO N#Cc1nnc2ccccc2c1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000525363986 870494834 /nfs/dbraw/zinc/49/48/34/870494834.db2.gz XSRCJXMMMOJTDV-UHFFFAOYSA-N 1 0 384.487 3.777 20 30 GHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 ZINC000248942641 870697160 /nfs/dbraw/zinc/69/71/60/870697160.db2.gz YYGKSUOVKFMBNL-LZQZEXGQSA-N 1 0 381.442 3.751 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)cnc2-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1 ZINC001168816104 870834114 /nfs/dbraw/zinc/83/41/14/870834114.db2.gz NEGJPMQYJVUVTR-MRXNPFEDSA-N 1 0 383.377 3.641 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249538590 870860340 /nfs/dbraw/zinc/86/03/40/870860340.db2.gz DDXBTZXIPWGQBM-JXXFODFXSA-N 1 0 375.538 3.502 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](CC)Cc1ccc3c(c1)OCO3)C2 ZINC001170438971 882468028 /nfs/dbraw/zinc/46/80/28/882468028.db2.gz WVMPTAZEHIGJMY-WMZHIEFXSA-N 1 0 384.520 3.770 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)O[C@@H](C)C2 ZINC000181460573 871038558 /nfs/dbraw/zinc/03/85/58/871038558.db2.gz DURTXIURUXWEQZ-KRWDZBQOSA-N 1 0 391.515 3.644 20 30 GHEDRO Cc1ccccc1C([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1ccccc1C ZINC001169045897 871127790 /nfs/dbraw/zinc/12/77/90/871127790.db2.gz VARVCXSALDMYIV-UHFFFAOYSA-N 1 0 383.455 3.803 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000181587110 871228246 /nfs/dbraw/zinc/22/82/46/871228246.db2.gz UTNFYFWIIQSGBO-KXBFYZLASA-N 1 0 384.451 3.577 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169145881 871258824 /nfs/dbraw/zinc/25/88/24/871258824.db2.gz UVJSCJZDFWHFEO-PONJGIIJSA-N 1 0 386.540 3.986 20 30 GHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cc(C#N)cs3)cc2)C[C@H]1C ZINC000540439643 871275542 /nfs/dbraw/zinc/27/55/42/871275542.db2.gz NUYWDIYBQXICSA-IAGOWNOFSA-N 1 0 397.544 3.559 20 30 GHEDRO CC[C@H](C)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000463285071 871320407 /nfs/dbraw/zinc/32/04/07/871320407.db2.gz FHOIMZHIDQGJSP-UWJYYQICSA-N 1 0 385.552 3.869 20 30 GHEDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC000181644583 871332785 /nfs/dbraw/zinc/33/27/85/871332785.db2.gz DIIFLUNIECOVDF-CQSZACIVSA-N 1 0 386.293 3.791 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000463273536 871341385 /nfs/dbraw/zinc/34/13/85/871341385.db2.gz MBYDHKVVUUVHGW-XXBNENTESA-N 1 0 388.515 3.776 20 30 GHEDRO C=CC[C@@H]1[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC001193921574 871394238 /nfs/dbraw/zinc/39/42/38/871394238.db2.gz ZBCMFZAAZOUVIQ-SFHVURJKSA-N 1 0 375.469 3.999 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)c1ccccc1 ZINC000181791162 871479048 /nfs/dbraw/zinc/47/90/48/871479048.db2.gz SHSLGUAFFFDQRS-QGZVFWFLSA-N 1 0 387.487 3.638 20 30 GHEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447392452 871524361 /nfs/dbraw/zinc/52/43/61/871524361.db2.gz BSPBRRHPAQJEDE-HOTGVXAUSA-N 1 0 385.533 3.689 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000618349565 871535233 /nfs/dbraw/zinc/53/52/33/871535233.db2.gz IIMRVYDJWYPILT-UHFFFAOYSA-N 1 0 391.475 3.741 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1OC ZINC000428482477 871552889 /nfs/dbraw/zinc/55/28/89/871552889.db2.gz HUAVRPBYSDAPAP-HZPDHXFCSA-N 1 0 384.314 3.758 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OC1CCCC1 ZINC000539254448 871564866 /nfs/dbraw/zinc/56/48/66/871564866.db2.gz QNJSWTAAZQEGCD-ZHRRBRCNSA-N 1 0 387.524 3.722 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(C)C ZINC000539256266 871611137 /nfs/dbraw/zinc/61/11/37/871611137.db2.gz XULYWYUGMMDBLO-AWEZNQCLSA-N 1 0 385.464 3.853 20 30 GHEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000463406633 871637317 /nfs/dbraw/zinc/63/73/17/871637317.db2.gz SXICQZVVDLEGSV-CSMYWGQOSA-N 1 0 375.538 3.617 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(OCC(F)F)c3)CC2)cc1 ZINC000181930330 871648202 /nfs/dbraw/zinc/64/82/02/871648202.db2.gz OKZBISYSBBWJSG-UHFFFAOYSA-N 1 0 385.458 3.956 20 30 GHEDRO COC(=O)CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181941394 871659527 /nfs/dbraw/zinc/65/95/27/871659527.db2.gz VSAQCBSCFGGJNB-QHCPKHFHSA-N 1 0 391.515 3.807 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](COc2ccccc2)c2ccccc2)cc1 ZINC000539317791 871678281 /nfs/dbraw/zinc/67/82/81/871678281.db2.gz AYMKVBZFFQWIAY-XUZZJYLKSA-N 1 0 388.467 3.708 20 30 GHEDRO OC[C@@]1([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CCCc2ccccc21 ZINC001169657892 871726419 /nfs/dbraw/zinc/72/64/19/871726419.db2.gz ZFYGOPCLNKBAJX-FQEVSTJZSA-N 1 0 375.390 3.750 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3ccccc3CC#N)cc2)C1 ZINC000776969288 882543345 /nfs/dbraw/zinc/54/33/45/882543345.db2.gz BDDRFMVIMITVFA-IBGZPJMESA-N 1 0 375.516 3.843 20 30 GHEDRO CCCCCCCCOC(=O)Nc1c[nH+]ccc1N1CCN(C(C)=O)CC1 ZINC001194735673 871898094 /nfs/dbraw/zinc/89/80/94/871898094.db2.gz WKASNLPYTTZBJB-UHFFFAOYSA-N 1 0 376.501 3.659 20 30 GHEDRO CCCCCCCCOC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001194740222 871900346 /nfs/dbraw/zinc/90/03/46/871900346.db2.gz FFRGNJAROQJZOW-LEWJYISDSA-N 1 0 389.540 3.854 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000447592466 871902531 /nfs/dbraw/zinc/90/25/31/871902531.db2.gz LQYQPGCQZSZOCM-NHCUHLMSSA-N 1 0 390.443 3.629 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000463527571 871940910 /nfs/dbraw/zinc/94/09/10/871940910.db2.gz SDDAOAUHVZQCOP-GOSISDBHSA-N 1 0 386.517 3.888 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776987316 882567824 /nfs/dbraw/zinc/56/78/24/882567824.db2.gz PRWCXGPIDUZZCY-AVRDEDQJSA-N 1 0 399.897 3.897 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000526047958 871992949 /nfs/dbraw/zinc/99/29/49/871992949.db2.gz BDAVLGCLYCAPMS-GXTWGEPZSA-N 1 0 386.496 3.859 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000618797179 872003826 /nfs/dbraw/zinc/00/38/26/872003826.db2.gz FHDIRUATLBPOEX-MOPGFXCFSA-N 1 0 380.517 3.743 20 30 GHEDRO CCC[C@H]1CN(C(=O)Cc2ccccc2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000776989289 882571473 /nfs/dbraw/zinc/57/14/73/882571473.db2.gz MDTDXNUOXGYYHG-QHCPKHFHSA-N 1 0 375.516 3.808 20 30 GHEDRO Cc1nc(C(F)(F)F)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000463586075 872149963 /nfs/dbraw/zinc/14/99/63/872149963.db2.gz LMYJEFVEGDUPSM-UHFFFAOYSA-N 1 0 396.438 3.546 20 30 GHEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000767046453 872198827 /nfs/dbraw/zinc/19/88/27/872198827.db2.gz TZTZULSEYSEHME-LJQANCHMSA-N 1 0 389.293 3.755 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644423 872314106 /nfs/dbraw/zinc/31/41/06/872314106.db2.gz KKBSBYCHCFADMF-GDBMZVCRSA-N 1 0 397.357 3.937 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000093740665 882602722 /nfs/dbraw/zinc/60/27/22/882602722.db2.gz DEWPCKRTQJQSHY-UHFFFAOYSA-N 1 0 390.487 3.551 20 30 GHEDRO C[C@H]1CC2(C[N@@H+]1C[C@@H](O)c1cccc(C#N)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001195375752 872375261 /nfs/dbraw/zinc/37/52/61/872375261.db2.gz CHEXDXBMXGECIA-FXAWDEMLSA-N 1 0 399.535 3.703 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)CC(C)(C)C#N)C1 ZINC000857880294 882608125 /nfs/dbraw/zinc/60/81/25/882608125.db2.gz FXOGKTSVXANUNT-HNNXBMFYSA-N 1 0 378.314 3.598 20 30 GHEDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000619179022 872395679 /nfs/dbraw/zinc/39/56/79/872395679.db2.gz XXFRQCMZZUTZAJ-HOTGVXAUSA-N 1 0 389.565 3.843 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccccc1 ZINC000022803569 872400598 /nfs/dbraw/zinc/40/05/98/872400598.db2.gz UADMGGZSMDAIQC-UHFFFAOYSA-O 1 0 378.315 3.675 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000478049132 872423560 /nfs/dbraw/zinc/42/35/60/872423560.db2.gz XUJHXPJFRWMUEY-RTWAWAEBSA-N 1 0 384.568 3.602 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000619479042 872674523 /nfs/dbraw/zinc/67/45/23/872674523.db2.gz DRKLIPRGLHUPEM-UHFFFAOYSA-N 1 0 381.439 3.687 20 30 GHEDRO N#CC1(NC(=O)C[NH+]2CCC(Cc3cc(Cl)ccc3Cl)CC2)CCC1 ZINC000527128300 872679116 /nfs/dbraw/zinc/67/91/16/872679116.db2.gz PGUDLXKMCACWCR-UHFFFAOYSA-N 1 0 380.319 3.810 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000619508437 872694257 /nfs/dbraw/zinc/69/42/57/872694257.db2.gz WJSIRSRDSSUURA-BJKOFHAPSA-N 1 0 375.516 3.552 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1 ZINC000619511483 872695699 /nfs/dbraw/zinc/69/56/99/872695699.db2.gz NRTCXBUSFQRORT-NRFANRHFSA-N 1 0 382.891 3.935 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000619512040 872697168 /nfs/dbraw/zinc/69/71/68/872697168.db2.gz XMLXXLCNPIRAMM-KRWDZBQOSA-N 1 0 385.467 3.938 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N(CCOC)c2ccc(C#N)cc2)cc1)C1CC1 ZINC000460350455 872840086 /nfs/dbraw/zinc/84/00/86/872840086.db2.gz UTMCXZXVBVETKF-UHFFFAOYSA-N 1 0 377.488 3.836 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619759048 872971487 /nfs/dbraw/zinc/97/14/87/872971487.db2.gz HTMSUJQVVDLIRO-IIBYNOLFSA-N 1 0 396.922 3.921 20 30 GHEDRO Cc1ccc(CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C(C)C)s1 ZINC000102391247 872993182 /nfs/dbraw/zinc/99/31/82/872993182.db2.gz OAJYBIABIJBNDG-UHFFFAOYSA-N 1 0 396.516 3.561 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC000176326957 882679144 /nfs/dbraw/zinc/67/91/44/882679144.db2.gz QVGYOXRJZRZZCV-YLJYHZDGSA-N 1 0 398.532 3.533 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC000176326975 882679329 /nfs/dbraw/zinc/67/93/29/882679329.db2.gz QVGYOXRJZRZZCV-FXAWDEMLSA-N 1 0 398.532 3.533 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CCOCC1)C(C)C ZINC000070886938 873068877 /nfs/dbraw/zinc/06/88/77/873068877.db2.gz SWTRAOHALDELSD-NRFANRHFSA-N 1 0 388.527 3.689 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000448224959 873076568 /nfs/dbraw/zinc/07/65/68/873076568.db2.gz UEYMYSYAGUWRCJ-GOSISDBHSA-N 1 0 395.469 3.724 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000153033810 873134529 /nfs/dbraw/zinc/13/45/29/873134529.db2.gz JTFBFJALCNUFSP-HNNXBMFYSA-N 1 0 399.457 3.932 20 30 GHEDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000494623094 882693302 /nfs/dbraw/zinc/69/33/02/882693302.db2.gz CAQHSVLTNWHBKF-IEBWSBKVSA-N 1 0 385.533 3.632 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1OC ZINC000768248474 873189588 /nfs/dbraw/zinc/18/95/88/873189588.db2.gz GBQYMYJFSJICJV-QGZVFWFLSA-N 1 0 376.497 3.701 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000768539209 873370454 /nfs/dbraw/zinc/37/04/54/873370454.db2.gz SRLHALMEODSSSS-HXUWFJFHSA-N 1 0 377.488 3.643 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541326563 873375429 /nfs/dbraw/zinc/37/54/29/873375429.db2.gz UFJWHKSCHUWFIW-RDJZCZTQSA-N 1 0 382.430 3.691 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)C(C)(C)C ZINC001196812466 873408208 /nfs/dbraw/zinc/40/82/08/873408208.db2.gz FLAOAVRCJBMHBM-GOSISDBHSA-N 1 0 376.932 3.651 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cccc1NC(=O)C(C)(C)C ZINC001196968345 873481100 /nfs/dbraw/zinc/48/11/00/873481100.db2.gz ISFZHTNJKDRZHE-AWEZNQCLSA-N 1 0 377.916 3.705 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000023075456 873482689 /nfs/dbraw/zinc/48/26/89/873482689.db2.gz ULPZPRJOOTYJNJ-AWEZNQCLSA-N 1 0 383.414 3.748 20 30 GHEDRO N#CCc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000768916446 873684536 /nfs/dbraw/zinc/68/45/36/873684536.db2.gz QRVWIGOVDWXBOK-IBGZPJMESA-N 1 0 383.879 3.506 20 30 GHEDRO CCc1cc(C(=O)NC2CC[NH+](CCc3ccc(OC)cc3)CC2)ccc1C#N ZINC001197294074 873719276 /nfs/dbraw/zinc/71/92/76/873719276.db2.gz OKGADDBMZMRBJA-UHFFFAOYSA-N 1 0 391.515 3.566 20 30 GHEDRO CCc1cc(C(=O)N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])ccc1C#N ZINC001197294132 873719392 /nfs/dbraw/zinc/71/93/92/873719392.db2.gz PGNVOESYFCTJIC-OVKIHRCZSA-N 1 0 393.490 3.837 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000448634361 873736247 /nfs/dbraw/zinc/73/62/47/873736247.db2.gz KUXWEPSPVLLHKZ-UHFFFAOYSA-N 1 0 379.504 3.575 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc2ccccc2s1 ZINC000448726366 873823416 /nfs/dbraw/zinc/82/34/16/873823416.db2.gz QPFKIKXWXWHFJO-UHFFFAOYSA-N 1 0 377.513 3.906 20 30 GHEDRO C[N@@H+]1CCCN(Cc2cccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c2)CC1 ZINC001197496952 873869106 /nfs/dbraw/zinc/86/91/06/873869106.db2.gz VQRLLIBNLLBONR-UHFFFAOYSA-N 1 0 393.535 3.505 20 30 GHEDRO COC(=O)C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)C1CCCCC1 ZINC000541602360 873924783 /nfs/dbraw/zinc/92/47/83/873924783.db2.gz NAEUSPYYIQYEMH-HXUWFJFHSA-N 1 0 399.535 3.652 20 30 GHEDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001198218609 874278722 /nfs/dbraw/zinc/27/87/22/874278722.db2.gz HSLNCRLRSIMCET-IBGZPJMESA-N 1 0 381.369 3.659 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)cc1 ZINC001198231280 874299758 /nfs/dbraw/zinc/29/97/58/874299758.db2.gz VADJXCHWMHUXIC-LJQANCHMSA-N 1 0 383.879 3.637 20 30 GHEDRO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001198328946 874355610 /nfs/dbraw/zinc/35/56/10/874355610.db2.gz XJAGXPBXRYNSQI-HKUYNNGSSA-N 1 0 387.524 3.810 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)nn1-c1cccc(C#N)c1 ZINC000541873532 874444040 /nfs/dbraw/zinc/44/40/40/874444040.db2.gz PAGJFBHMDGEZEF-LLGFUMIMSA-N 1 0 391.519 3.530 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000464780213 874477866 /nfs/dbraw/zinc/47/78/66/874477866.db2.gz ZBCMILIYERFQRE-NQIIRXRSSA-N 1 0 377.513 3.778 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000508878807 874499300 /nfs/dbraw/zinc/49/93/00/874499300.db2.gz BPFHMNVXDSRVEL-UHFFFAOYSA-N 1 0 380.540 3.537 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c(-c2ccc(C#N)cc2)n1 ZINC000541909435 874508092 /nfs/dbraw/zinc/50/80/92/874508092.db2.gz GUNGTFIWSFIENB-OAQYLSRUSA-N 1 0 382.471 3.755 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508878400 874590906 /nfs/dbraw/zinc/59/09/06/874590906.db2.gz HNZALTTUCVYHIR-XMSQKQJNSA-N 1 0 399.535 3.859 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000464844999 874620450 /nfs/dbraw/zinc/62/04/50/874620450.db2.gz CVQNIWARMCSOSC-PXNSSMCTSA-N 1 0 394.519 3.549 20 30 GHEDRO CN(C)c1ccc(NC(=S)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001198778000 874627608 /nfs/dbraw/zinc/62/76/08/874627608.db2.gz JUHMPIONXVMNEG-UHFFFAOYSA-N 1 0 393.560 3.575 20 30 GHEDRO C=CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CC1 ZINC000528520983 874664268 /nfs/dbraw/zinc/66/42/68/874664268.db2.gz PSNRKYWGFDBQKV-WOJBJXKFSA-N 1 0 381.545 3.783 20 30 GHEDRO [NH2+]=C(NC[C@@H](O)c1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCCCO2 ZINC000262627569 874726960 /nfs/dbraw/zinc/72/69/60/874726960.db2.gz COZGOYRZHXNNCI-CQSZACIVSA-N 1 0 396.274 3.615 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000770793177 874874414 /nfs/dbraw/zinc/87/44/14/874874414.db2.gz UIPQWWMMXGNFMP-CYBMUJFWSA-N 1 0 395.381 3.646 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)nc1 ZINC001199252258 874874673 /nfs/dbraw/zinc/87/46/73/874874673.db2.gz FAMMDRBROORTNO-PMACEKPBSA-N 1 0 391.475 3.884 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528677880 874875772 /nfs/dbraw/zinc/87/57/72/874875772.db2.gz DJCQRCSSAGOAJR-OAQYLSRUSA-N 1 0 390.487 3.852 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1F ZINC000528680137 874878832 /nfs/dbraw/zinc/87/88/32/874878832.db2.gz AFTAMUVKCGDTFD-IBGZPJMESA-N 1 0 380.423 3.896 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccc(F)c(Cl)c3)CCOCC2)cc1 ZINC000528777708 875047967 /nfs/dbraw/zinc/04/79/67/875047967.db2.gz DHCLTXGSWNCPMR-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3cccc4ccccc43)CCOCC2)cc1 ZINC000528779679 875050621 /nfs/dbraw/zinc/05/06/21/875050621.db2.gz WQHXSDQNBAHWPT-UHFFFAOYSA-N 1 0 385.467 3.945 20 30 GHEDRO C=CCSc1ncccc1C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001199736248 875179995 /nfs/dbraw/zinc/17/99/95/875179995.db2.gz ZYUUZLVAZRBSFH-MRXNPFEDSA-N 1 0 389.565 3.512 20 30 GHEDRO CC1(C#N)CCC([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449680388 875231424 /nfs/dbraw/zinc/23/14/24/875231424.db2.gz GJGSBCUJELGZPB-KSTDHSDQSA-N 1 0 383.305 3.801 20 30 GHEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cc(C#N)cs1 ZINC000449684254 875240476 /nfs/dbraw/zinc/24/04/76/875240476.db2.gz OWPRMSMEUWLJOX-CQSZACIVSA-N 1 0 379.323 3.632 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465187759 875272522 /nfs/dbraw/zinc/27/25/22/875272522.db2.gz SXIXYZDPPXLTQZ-QZTJIDSGSA-N 1 0 393.487 3.685 20 30 GHEDRO C=CCc1cc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)cc(OC)c1O ZINC000449787357 875412058 /nfs/dbraw/zinc/41/20/58/875412058.db2.gz UYLCOAYDIDALNV-UHFFFAOYSA-N 1 0 386.458 3.978 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771764025 875470358 /nfs/dbraw/zinc/47/03/58/875470358.db2.gz GRFWOKMKVCIRHX-QFIPXVFZSA-N 1 0 391.515 3.505 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001201030615 875477037 /nfs/dbraw/zinc/47/70/37/875477037.db2.gz ITNWCEGKXAPLCO-MRXNPFEDSA-N 1 0 393.491 3.940 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC001201137403 875520821 /nfs/dbraw/zinc/52/08/21/875520821.db2.gz NPMHXBNBPFBLKF-WFASDCNBSA-N 1 0 395.370 3.726 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1C#N ZINC000529214935 875841858 /nfs/dbraw/zinc/84/18/58/875841858.db2.gz XGVVRKZDLPGPSW-LJQANCHMSA-N 1 0 382.464 3.565 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1C#N ZINC000529215572 875844679 /nfs/dbraw/zinc/84/46/79/875844679.db2.gz FBAHSXBJKNHJNM-GOSISDBHSA-N 1 0 384.505 3.725 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1C ZINC000772316850 875863860 /nfs/dbraw/zinc/86/38/60/875863860.db2.gz DPOVOYTVUBESAA-UHFFFAOYSA-N 1 0 398.617 3.575 20 30 GHEDRO COc1ccc(C#N)cc1COC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000772276305 875867612 /nfs/dbraw/zinc/86/76/12/875867612.db2.gz LVLUCAFGCOXPCS-SFHVURJKSA-N 1 0 382.435 3.661 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001201845973 875901172 /nfs/dbraw/zinc/90/11/72/875901172.db2.gz BPJZEPIDHIMSMG-FDFHNCONSA-N 1 0 387.568 3.899 20 30 GHEDRO Cc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000804523806 882986174 /nfs/dbraw/zinc/98/61/74/882986174.db2.gz BLLNHHIOUBJNOM-IIBYNOLFSA-N 1 0 376.504 3.665 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccc(CC)cc1 ZINC001202356618 876158461 /nfs/dbraw/zinc/15/84/61/876158461.db2.gz GSHAOMMPPJSEGW-LJQANCHMSA-N 1 0 388.305 3.847 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1 ZINC000153159028 883015572 /nfs/dbraw/zinc/01/55/72/883015572.db2.gz KQCPRMPCURFPEK-UHFFFAOYSA-N 1 0 394.490 3.675 20 30 GHEDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000108396166 876464419 /nfs/dbraw/zinc/46/44/19/876464419.db2.gz KMUHWWVFMIAZME-QZTJIDSGSA-N 1 0 378.476 3.505 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(C#N)c1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000450697950 876789158 /nfs/dbraw/zinc/78/91/58/876789158.db2.gz OONVDIHOGRYJMI-ACJLOTCBSA-N 1 0 386.293 3.742 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C(C)=O)cc1 ZINC000450742935 876841909 /nfs/dbraw/zinc/84/19/09/876841909.db2.gz DUJPUADNTPUHPW-UHFFFAOYSA-N 1 0 384.549 3.987 20 30 GHEDRO N#Cc1ccc(COC(=O)CC[N@@H+]2CCc3ccccc3C2)c(OC(F)F)c1 ZINC000786814061 876970340 /nfs/dbraw/zinc/97/03/40/876970340.db2.gz CHNYXRYXNBICMZ-UHFFFAOYSA-N 1 0 386.398 3.651 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+][C@@H]1CCCc3cc(C#N)ccc31)O2 ZINC000850542624 877012242 /nfs/dbraw/zinc/01/22/42/877012242.db2.gz SFYQLTUNDAHUSU-AZUAARDMSA-N 1 0 397.519 3.694 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850550260 877017238 /nfs/dbraw/zinc/01/72/38/877017238.db2.gz ORLYKNQRNVTAQE-GBESFXJTSA-N 1 0 391.556 3.855 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1)C1CC[NH+](C)CC1 ZINC000913940765 877032404 /nfs/dbraw/zinc/03/24/04/877032404.db2.gz GTHOSFORWPDHJE-INIZCTEOSA-N 1 0 383.492 3.632 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787097456 877166406 /nfs/dbraw/zinc/16/64/06/877166406.db2.gz JQSQSNNDPFHGSX-JOCHJYFZSA-N 1 0 380.536 3.889 20 30 GHEDRO Fc1ccc(CON=C2CCOC[C@@H]2C[NH+]2CCCCC2)c(Br)c1 ZINC000787161770 877208892 /nfs/dbraw/zinc/20/88/92/877208892.db2.gz GBIZJKRRIKLYDS-HNNXBMFYSA-N 1 0 399.304 3.983 20 30 GHEDRO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH+]2CCC(C#N)CC2)c2ccccc2)cc1 ZINC000174836300 877279386 /nfs/dbraw/zinc/27/93/86/877279386.db2.gz PZDAVTYFYRFYPH-QFIPXVFZSA-N 1 0 397.544 3.640 20 30 GHEDRO Cc1cc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1C#N ZINC000443982646 877290573 /nfs/dbraw/zinc/29/05/73/877290573.db2.gz DOSZFUSWTZVAFL-SFHVURJKSA-N 1 0 387.405 3.776 20 30 GHEDRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000443975773 877295701 /nfs/dbraw/zinc/29/57/01/877295701.db2.gz BMZDWQFAGBYOJU-QGZVFWFLSA-N 1 0 397.544 3.577 20 30 GHEDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000610137518 877421620 /nfs/dbraw/zinc/42/16/20/877421620.db2.gz APYLBXMSWCNKPD-IRLDBZIGSA-N 1 0 398.528 3.583 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000610135110 877449553 /nfs/dbraw/zinc/44/95/53/877449553.db2.gz RQEGMQLEVPVGLF-UHFFFAOYSA-N 1 0 397.544 3.721 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262703343 877533048 /nfs/dbraw/zinc/53/30/48/877533048.db2.gz ZQFLRNGIQYZQPB-QXCZDIPSSA-N 1 0 379.589 3.586 20 30 GHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)C1 ZINC000451186994 877546518 /nfs/dbraw/zinc/54/65/18/877546518.db2.gz FUFPNIIJFSPDPT-INMHGKMJSA-N 1 0 380.273 3.848 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H](CC)C[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000615271124 877575779 /nfs/dbraw/zinc/57/57/79/877575779.db2.gz MPTUMEAGHJSSGI-SFHVURJKSA-N 1 0 394.523 3.692 20 30 GHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1cccc(C)c1 ZINC000067952245 877696941 /nfs/dbraw/zinc/69/69/41/877696941.db2.gz DZNIYEKXBKWETG-UHFFFAOYSA-O 1 0 386.541 3.622 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000565919822 877796248 /nfs/dbraw/zinc/79/62/48/877796248.db2.gz KOFCDIHIOSHWSM-QKNQBKEWSA-N 1 0 395.551 3.662 20 30 GHEDRO C=C(C)CS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000477597572 877911633 /nfs/dbraw/zinc/91/16/33/877911633.db2.gz DSQBUKDTPJHUJV-NVXWUHKLSA-N 1 0 390.471 3.584 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)CC1(C#N)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000477609814 877925729 /nfs/dbraw/zinc/92/57/29/877925729.db2.gz ZNQFFXOIURLKGP-QGZVFWFLSA-N 1 0 377.554 3.509 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C#N)c3c(Cl)cccc3Cl)C[C@H]2C1 ZINC001183110478 912292587 /nfs/dbraw/zinc/29/25/87/912292587.db2.gz DBVPEYDDLAMVDR-SOUVJXGZSA-N 1 0 380.319 3.791 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245547748 878086023 /nfs/dbraw/zinc/08/60/23/878086023.db2.gz MZQKQJXDOUFRSN-SOLBZPMBSA-N 1 0 375.538 3.502 20 30 GHEDRO CCO[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000451539803 878100417 /nfs/dbraw/zinc/10/04/17/878100417.db2.gz KJSUUVMCNNRLDJ-XYJFISCASA-N 1 0 375.538 3.766 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1Cl ZINC000245575243 878133754 /nfs/dbraw/zinc/13/37/54/878133754.db2.gz HPCZJPBEFIGUQA-UZLBHIALSA-N 1 0 399.926 3.675 20 30 GHEDRO CC1(C(=O)OCCOc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000772723022 878259804 /nfs/dbraw/zinc/25/98/04/878259804.db2.gz SIQMKUFMZTVYBH-UHFFFAOYSA-N 1 0 378.472 3.783 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176614088 878325303 /nfs/dbraw/zinc/32/53/03/878325303.db2.gz UAGVEMOUSAOVPY-UHFFFAOYSA-N 1 0 399.988 3.989 20 30 GHEDRO COCC[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000451687625 878344159 /nfs/dbraw/zinc/34/41/59/878344159.db2.gz CXVLZLPMYITPKX-QGZVFWFLSA-N 1 0 397.441 3.715 20 30 GHEDRO O=C(N1CCC[C@H]([C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)C1)C(F)(F)F ZINC000852478665 878365221 /nfs/dbraw/zinc/36/52/21/878365221.db2.gz WPENJMLYNDSNNW-RBUKOAKNSA-N 1 0 378.438 3.694 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3cccc(CC#N)c3)cc2)CC1 ZINC000455911735 878467579 /nfs/dbraw/zinc/46/75/79/878467579.db2.gz WLYHKYWBFHBNRJ-UHFFFAOYSA-N 1 0 378.476 3.547 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc(OC)c1O ZINC000788972608 878478185 /nfs/dbraw/zinc/47/81/85/878478185.db2.gz BGLIMEGQEKJVJH-HXUWFJFHSA-N 1 0 394.515 3.950 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728663 878553796 /nfs/dbraw/zinc/55/37/96/878553796.db2.gz FQYLZUYUQUJEKV-SFTDATJTSA-N 1 0 385.895 3.888 20 30 GHEDRO CCn1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cn1 ZINC000451888690 878626471 /nfs/dbraw/zinc/62/64/71/878626471.db2.gz ISIAVJGCEUETJY-OAHLLOKOSA-N 1 0 382.512 3.597 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCC[NH2+]1 ZINC000852864526 878637288 /nfs/dbraw/zinc/63/72/88/878637288.db2.gz YXWORVUTUZQEEV-HSZRJFAPSA-N 1 0 398.551 3.528 20 30 GHEDRO C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460808740 878637239 /nfs/dbraw/zinc/63/72/39/878637239.db2.gz JVXYDNYCVTXDOT-OYRHEFFESA-N 1 0 379.552 3.621 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(OCCCO)CC3)c2)c1 ZINC000093694755 912388563 /nfs/dbraw/zinc/38/85/63/912388563.db2.gz HRPOKGCTNGNHBB-UHFFFAOYSA-N 1 0 380.488 3.501 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OCC ZINC000538165125 878943685 /nfs/dbraw/zinc/94/36/85/878943685.db2.gz ZJQOGYMKUMXRDJ-CKJXQJPGSA-N 1 0 375.513 3.578 20 30 GHEDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000452084665 878944394 /nfs/dbraw/zinc/94/43/94/878944394.db2.gz NHJCDJRYJIYXOT-OAHLLOKOSA-N 1 0 375.538 3.576 20 30 GHEDRO COC(=O)c1ccc(N=NCC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000853325986 878968986 /nfs/dbraw/zinc/96/89/86/878968986.db2.gz RJVHMDGVBNZTHQ-UHFFFAOYSA-N 1 0 381.476 3.792 20 30 GHEDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000452106189 878991024 /nfs/dbraw/zinc/99/10/24/878991024.db2.gz QKMYRBMJHUCDSH-CVEARBPZSA-N 1 0 389.565 3.822 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000538199950 879021964 /nfs/dbraw/zinc/02/19/64/879021964.db2.gz NALWTENAESDLGZ-LJQANCHMSA-N 1 0 379.504 3.987 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCn3c(=O)[nH]c4ccccc43)c2)c1 ZINC000238062670 879080267 /nfs/dbraw/zinc/08/02/67/879080267.db2.gz GFQUQLPPTHVCCO-UHFFFAOYSA-N 1 0 398.466 3.570 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC2CCOCC2)c1 ZINC000068866593 879105166 /nfs/dbraw/zinc/10/51/66/879105166.db2.gz UGRAWISGMHUTFK-UHFFFAOYSA-O 1 0 397.564 3.915 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)cc1C ZINC001170114680 879168956 /nfs/dbraw/zinc/16/89/56/879168956.db2.gz AKUHOKUGTGMRMU-BJKOFHAPSA-N 1 0 393.531 3.898 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](C)[C@@H]2CC)c1=S ZINC000774619114 912436879 /nfs/dbraw/zinc/43/68/79/912436879.db2.gz JURCXCHLPXCCHA-ROUUACIJSA-N 1 0 377.602 3.706 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCC[C@@]2(C)CO)ccc1OCc1cccc(C#N)c1 ZINC000493519843 879495477 /nfs/dbraw/zinc/49/54/77/879495477.db2.gz DTKZBWMGMLYOLN-GOTSBHOMSA-N 1 0 380.488 3.787 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](CC#N)c1ccccc1 ZINC001127611151 879521502 /nfs/dbraw/zinc/52/15/02/879521502.db2.gz OOWQHPHWKZNQRS-JOCHJYFZSA-N 1 0 376.504 3.844 20 30 GHEDRO Cn1cc(-c2ccnc(C3CC[NH+](CC#Cc4cccc(Cl)c4)CC3)n2)cn1 ZINC000854101642 879532970 /nfs/dbraw/zinc/53/29/70/879532970.db2.gz CYYRLGNHEQXLHZ-UHFFFAOYSA-N 1 0 391.906 3.762 20 30 GHEDRO C=CCN1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCCC2)C1=O ZINC000493712554 879606977 /nfs/dbraw/zinc/60/69/77/879606977.db2.gz ZQDAGDBVEULUPM-KRWDZBQOSA-N 1 0 377.326 3.637 20 30 GHEDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000854229039 879647234 /nfs/dbraw/zinc/64/72/34/879647234.db2.gz GMPOSPZZGXONFD-ZRCAFCQKSA-N 1 0 383.467 3.533 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000854315109 879715235 /nfs/dbraw/zinc/71/52/35/879715235.db2.gz WEFSHKHEBAIVMF-KRWDZBQOSA-N 1 0 379.464 3.740 20 30 GHEDRO N#Cc1cccc(C2(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)CC2)c1 ZINC000461440356 879816985 /nfs/dbraw/zinc/81/69/85/879816985.db2.gz XURRIAXOMGCUKP-YADHBBJMSA-N 1 0 385.511 3.570 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn(-c2cccc(C)c2)c1C)C(C)C ZINC000494017196 879824209 /nfs/dbraw/zinc/82/42/09/879824209.db2.gz RBOCKJIZPZMANC-JOCHJYFZSA-N 1 0 380.536 3.918 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)c(F)c1 ZINC000776739743 879848230 /nfs/dbraw/zinc/84/82/30/879848230.db2.gz CPGYRBKZGFRBFG-GTNSWQLSSA-N 1 0 376.815 3.506 20 30 GHEDRO COc1ccccc1[C@H](CNc1c(C#N)cnc2ccc(Cl)cc21)[NH+](C)C ZINC000461463387 879881813 /nfs/dbraw/zinc/88/18/13/879881813.db2.gz JITIUQQCUHPMGS-IBGZPJMESA-N 1 0 380.879 3.905 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3ccc4cc(Br)ccc4c3)C2)C1=O ZINC001275170584 912508107 /nfs/dbraw/zinc/50/81/07/912508107.db2.gz XRCHUWISGHPYCV-NRFANRHFSA-N 1 0 397.316 3.660 20 30 GHEDRO N#CCn1c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc2ccccc21 ZINC000609170223 880121448 /nfs/dbraw/zinc/12/14/48/880121448.db2.gz OOGDHXXQLHJQIE-UHFFFAOYSA-N 1 0 390.512 3.966 20 30 GHEDRO N#CCn1c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc2ccccc21 ZINC000609170367 880132895 /nfs/dbraw/zinc/13/28/95/880132895.db2.gz QGOPTBZJKFKXRX-UHFFFAOYSA-N 1 0 392.528 3.868 20 30 GHEDRO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000791048584 880175625 /nfs/dbraw/zinc/17/56/25/880175625.db2.gz TZRUSYWNKMYEGB-CQSZACIVSA-N 1 0 376.382 3.735 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133312 880240599 /nfs/dbraw/zinc/24/05/99/880240599.db2.gz BTYFFUPMKDJXEZ-ATZDWAIDSA-N 1 0 375.900 3.676 20 30 GHEDRO NC(=NOCc1nc(-c2ccsc2)no1)c1ccccc1C[NH+]1CCCCC1 ZINC000112969538 880254602 /nfs/dbraw/zinc/25/46/02/880254602.db2.gz PHMJPLPQJWPYAZ-UHFFFAOYSA-N 1 0 397.504 3.621 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3ccc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC001183490590 912549807 /nfs/dbraw/zinc/54/98/07/912549807.db2.gz JBVCAGOUBSPBBM-HDICACEKSA-N 1 0 381.495 3.939 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000855162382 880315203 /nfs/dbraw/zinc/31/52/03/880315203.db2.gz XHLYBLVSMVQJJN-HTAPYJJXSA-N 1 0 393.572 3.569 20 30 GHEDRO C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(-c2ccccc2)no1 ZINC000123473897 880428721 /nfs/dbraw/zinc/42/87/21/880428721.db2.gz RONVEVVMZHGRBL-KRWDZBQOSA-N 1 0 375.476 3.980 20 30 GHEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)Nc1ccccc1)[n+]1cccc(CO)c1 ZINC000010170465 880433125 /nfs/dbraw/zinc/43/31/25/880433125.db2.gz UWVZWUOEDFYROG-UHFFFAOYSA-O 1 0 399.442 3.796 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OCC)C2)cc1OC ZINC000776810623 880513317 /nfs/dbraw/zinc/51/33/17/880513317.db2.gz GHPYFBKIPCMAIY-AEFFLSMTSA-N 1 0 376.497 3.607 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)ccc1OC ZINC000113347518 880519994 /nfs/dbraw/zinc/51/99/94/880519994.db2.gz MALLNQXWESLUSV-APWZRJJASA-N 1 0 379.460 3.957 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000791646633 880582613 /nfs/dbraw/zinc/58/26/13/880582613.db2.gz DGDFIIJHCOKAMV-UHFFFAOYSA-N 1 0 380.492 3.870 20 30 GHEDRO CC#CCCCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000185485160 880594889 /nfs/dbraw/zinc/59/48/89/880594889.db2.gz ONGYULZVZVZBKG-UHFFFAOYSA-N 1 0 376.504 3.536 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453412530 880875941 /nfs/dbraw/zinc/87/59/41/880875941.db2.gz ILFIPTSDRHRDLN-JBACZVJFSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000453435695 880940330 /nfs/dbraw/zinc/94/03/30/880940330.db2.gz GXZYMZVRYHYGTF-NHCUHLMSSA-N 1 0 395.551 3.807 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC)C1CCOCC1 ZINC000856108303 880965111 /nfs/dbraw/zinc/96/51/11/880965111.db2.gz GRRVIMBYKUMWIS-RBUKOAKNSA-N 1 0 396.453 3.633 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000453466582 880971892 /nfs/dbraw/zinc/97/18/92/880971892.db2.gz OQIBSKSZBBGLJP-FPOVZHCZSA-N 1 0 395.551 3.725 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453449925 881005552 /nfs/dbraw/zinc/00/55/52/881005552.db2.gz GHYHXLOEOQHBPR-FHWLQOOXSA-N 1 0 389.588 3.692 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1OCC ZINC000453623511 881174300 /nfs/dbraw/zinc/17/43/00/881174300.db2.gz BPGZAEYTZCCETI-ZBFHGGJFSA-N 1 0 384.314 3.663 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000089266522 881217736 /nfs/dbraw/zinc/21/77/36/881217736.db2.gz AOCJDUKZKATDRV-MOPGFXCFSA-N 1 0 377.916 3.510 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CC23CCC(F)(F)CC3)CC[NH+](Cc2ccccc2)CC1 ZINC001183593247 912667418 /nfs/dbraw/zinc/66/74/18/912667418.db2.gz JUVYBBFWOGRTDR-SFHVURJKSA-N 1 0 387.474 3.877 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccc(OCC#N)cc1 ZINC000858519693 883169107 /nfs/dbraw/zinc/16/91/07/883169107.db2.gz JHINMDFBUVAPNY-UGSOOPFHSA-N 1 0 387.842 3.838 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000858528062 883175822 /nfs/dbraw/zinc/17/58/22/883175822.db2.gz ZMQJPOORVWWNCR-KQVJYAISSA-N 1 0 399.535 3.616 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000476807432 883217607 /nfs/dbraw/zinc/21/76/07/883217607.db2.gz QJQVINYRNBQZDI-PMACEKPBSA-N 1 0 397.563 3.810 20 30 GHEDRO COc1cc2c(c(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)c1)O[C@@H](C)C2 ZINC000609466636 883229890 /nfs/dbraw/zinc/22/98/90/883229890.db2.gz WWFBMMSRZZJUQH-HNAYVOBHSA-N 1 0 395.478 3.788 20 30 GHEDRO COc1ccc(C[NH+](C)C)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000609499514 883267493 /nfs/dbraw/zinc/26/74/93/883267493.db2.gz DPSZKZMSLBJIFA-UHFFFAOYSA-N 1 0 381.476 3.816 20 30 GHEDRO Cc1cc(CNc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)ccc1C#N ZINC000551090774 883270485 /nfs/dbraw/zinc/27/04/85/883270485.db2.gz TWJCPGQGGCXEOM-QFIPXVFZSA-N 1 0 376.504 3.645 20 30 GHEDRO N#Cc1cc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1 ZINC000610273550 883381250 /nfs/dbraw/zinc/38/12/50/883381250.db2.gz NPOGILLCWXPIFW-UHFFFAOYSA-N 1 0 385.515 3.543 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000609732720 883584477 /nfs/dbraw/zinc/58/44/77/883584477.db2.gz IUNICWXKRCLSIW-UHFFFAOYSA-N 1 0 394.862 3.722 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)c1 ZINC000609770876 883628887 /nfs/dbraw/zinc/62/88/87/883628887.db2.gz JCHFTONZAJWTBI-IWQZZHSRSA-N 1 0 397.320 3.941 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453934935 883754757 /nfs/dbraw/zinc/75/47/57/883754757.db2.gz BZGRZEWBIPAHDX-NRFANRHFSA-N 1 0 377.488 3.931 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000805397780 883788565 /nfs/dbraw/zinc/78/85/65/883788565.db2.gz VTYUAEJSZJDAEI-LAUBAEHRSA-N 1 0 399.897 3.975 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000122055341 883804910 /nfs/dbraw/zinc/80/49/10/883804910.db2.gz BVDIQHBQZFBDGB-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO C=CCc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1 ZINC000024389784 883825483 /nfs/dbraw/zinc/82/54/83/883825483.db2.gz AHJYBAPFCBTQON-UHFFFAOYSA-N 1 0 394.515 3.715 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494811551 883903550 /nfs/dbraw/zinc/90/35/50/883903550.db2.gz PTORZYXBVSVSIE-UHFFFAOYSA-N 1 0 398.320 3.770 20 30 GHEDRO COc1cccc(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000194884471 883974381 /nfs/dbraw/zinc/97/43/81/883974381.db2.gz GCCWTKNTYYMRQJ-UHFFFAOYSA-N 1 0 377.488 3.821 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1F ZINC000805776750 884057375 /nfs/dbraw/zinc/05/73/75/884057375.db2.gz WDWIFRQTZGAACO-KXBFYZLASA-N 1 0 377.891 3.527 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)C(C)C ZINC000498359425 884147574 /nfs/dbraw/zinc/14/75/74/884147574.db2.gz KOIOBZCJWGQEQH-NRFANRHFSA-N 1 0 379.504 3.883 20 30 GHEDRO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000476159285 884166033 /nfs/dbraw/zinc/16/60/33/884166033.db2.gz MUIIHVIDSFRWGU-FDDCHVKYSA-N 1 0 390.531 3.955 20 30 GHEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C[NH+]1CCCCC1 ZINC000476163652 884179408 /nfs/dbraw/zinc/17/94/08/884179408.db2.gz RTLYWWGLZFFKSZ-KMFTYDHNSA-N 1 0 398.551 3.669 20 30 GHEDRO N#CC1(c2ccc(C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)cc2)CC1 ZINC000537469999 884242825 /nfs/dbraw/zinc/24/28/25/884242825.db2.gz KLZHLZPSEWEMCY-UHFFFAOYSA-N 1 0 389.499 3.646 20 30 GHEDRO CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1F ZINC000494983216 884313601 /nfs/dbraw/zinc/31/36/01/884313601.db2.gz XXDRSZVYRJDSGJ-UHFFFAOYSA-N 1 0 381.451 3.947 20 30 GHEDRO Cc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000730786767 884353171 /nfs/dbraw/zinc/35/31/71/884353171.db2.gz RQSFAHGYGVQMCE-IRXDYDNUSA-N 1 0 378.520 3.959 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000495016975 884357923 /nfs/dbraw/zinc/35/79/23/884357923.db2.gz KCESWDVETBMXRI-RBUKOAKNSA-N 1 0 379.508 3.541 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000806174747 884396726 /nfs/dbraw/zinc/39/67/26/884396726.db2.gz MTQDMVBRYLGJFM-FQEVSTJZSA-N 1 0 389.421 3.869 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000102752083 884404598 /nfs/dbraw/zinc/40/45/98/884404598.db2.gz HWJJPURGFGBORN-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)ccc1OC ZINC000806147526 884406376 /nfs/dbraw/zinc/40/63/76/884406376.db2.gz XXHHMNIWANNJDG-OXQOHEQNSA-N 1 0 391.475 3.808 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccs1 ZINC000102802799 884467518 /nfs/dbraw/zinc/46/75/18/884467518.db2.gz MDDSTFFYDKXTJI-ZDUSSCGKSA-N 1 0 380.420 3.646 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000249454106 912841090 /nfs/dbraw/zinc/84/10/90/912841090.db2.gz PBEUKOOCBBXOSG-UZLBHIALSA-N 1 0 383.517 3.965 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000806294934 884574653 /nfs/dbraw/zinc/57/46/53/884574653.db2.gz KNXLOYFLDGFVKR-SFTDATJTSA-N 1 0 379.504 3.740 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)c2ccc(C#N)cc2)CC1 ZINC000860338026 884576418 /nfs/dbraw/zinc/57/64/18/884576418.db2.gz ZTTWKJNIQHIODD-KRWDZBQOSA-N 1 0 376.504 3.573 20 30 GHEDRO O[C@]1(C(F)(F)F)CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001142539159 884611568 /nfs/dbraw/zinc/61/15/68/884611568.db2.gz VLPSNGKQMLABNV-VXGBXAGGSA-N 1 0 394.718 3.981 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)[NH+]1CCCCC1 ZINC000612132850 884679084 /nfs/dbraw/zinc/67/90/84/884679084.db2.gz LXWFFUJDARZXJT-DENIHFKCSA-N 1 0 384.524 3.557 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3cscc3C#N)cc2)C[C@H](C)O1 ZINC000898289521 884699557 /nfs/dbraw/zinc/69/95/57/884699557.db2.gz IJKNVAPWRRCEEJ-IYBDPMFKSA-N 1 0 383.517 3.501 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000806438367 884701708 /nfs/dbraw/zinc/70/17/08/884701708.db2.gz BNEVWZYGNFQEAA-DEOSSOPVSA-N 1 0 389.499 3.829 20 30 GHEDRO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495203855 884804230 /nfs/dbraw/zinc/80/42/30/884804230.db2.gz SUXZJZVAQPENLK-BTYIYWSLSA-N 1 0 389.565 3.700 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H]1C ZINC000498555494 884823708 /nfs/dbraw/zinc/82/37/08/884823708.db2.gz RCCZXQVCADUOMT-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(C(F)(F)F)s3)C2=O)cc1 ZINC000428552172 884863023 /nfs/dbraw/zinc/86/30/23/884863023.db2.gz USVUHTRMPNVUQZ-OAHLLOKOSA-N 1 0 379.407 3.529 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000498597418 884984319 /nfs/dbraw/zinc/98/43/19/884984319.db2.gz HDZHMCHCQKDNOG-NRFANRHFSA-N 1 0 379.529 3.572 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1sccc1C#N ZINC000052050567 885127307 /nfs/dbraw/zinc/12/73/07/885127307.db2.gz HVOQNSDGOMIFAZ-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1sccc1C#N ZINC000052050568 885128128 /nfs/dbraw/zinc/12/81/28/885128128.db2.gz OWAUWBCTGKDDDK-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1cccc(C#N)c1 ZINC000052580690 885343368 /nfs/dbraw/zinc/34/33/68/885343368.db2.gz ZLQQEKXUFJCJPL-UHFFFAOYSA-N 1 0 394.475 3.815 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)CC1 ZINC000495357990 885417523 /nfs/dbraw/zinc/41/75/23/885417523.db2.gz KWKJREJSTJYMRA-UHFFFAOYSA-N 1 0 375.513 3.989 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000067570040 885574155 /nfs/dbraw/zinc/57/41/55/885574155.db2.gz USFSAXORFJGOPF-NQIIRXRSSA-N 1 0 376.504 3.831 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171060320 885707921 /nfs/dbraw/zinc/70/79/21/885707921.db2.gz UZFMQJXHVZAGPJ-IBGZPJMESA-N 1 0 378.476 3.615 20 30 GHEDRO CCCO[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000108493532 885726065 /nfs/dbraw/zinc/72/60/65/885726065.db2.gz NAHGRSVRRXYVOF-LJQANCHMSA-N 1 0 377.916 3.868 20 30 GHEDRO C[C@@H](OC1CCCCCC1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000537591372 885775922 /nfs/dbraw/zinc/77/59/22/885775922.db2.gz BCSMQYHCFMTTCM-LJQANCHMSA-N 1 0 383.536 3.789 20 30 GHEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000495437290 885801771 /nfs/dbraw/zinc/80/17/71/885801771.db2.gz BBEVSZCIVLFDPS-LSTHTHJFSA-N 1 0 379.508 3.733 20 30 GHEDRO COC(=O)[C@]1(NCc2ccc(C#N)cc2Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC000615227091 886015908 /nfs/dbraw/zinc/01/59/08/886015908.db2.gz TYAPEDNDPYGPEG-QFIPXVFZSA-N 1 0 397.906 3.509 20 30 GHEDRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)oc1C ZINC000111412221 886229194 /nfs/dbraw/zinc/22/91/94/886229194.db2.gz XNWOEADHSPGIMO-INIZCTEOSA-N 1 0 382.508 3.584 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000153551620 886246438 /nfs/dbraw/zinc/24/64/38/886246438.db2.gz FBCDHHSIROULBE-UHFFFAOYSA-N 1 0 398.894 3.536 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000112641714 886267938 /nfs/dbraw/zinc/26/79/38/886267938.db2.gz SCGHFYPAAXJDOX-HSZRJFAPSA-N 1 0 375.516 3.673 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000113317274 886289645 /nfs/dbraw/zinc/28/96/45/886289645.db2.gz XCXODYBNBHBZGV-HXUWFJFHSA-N 1 0 380.879 3.940 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C3CCOCC3)CC2)cc1C ZINC000153574317 886373262 /nfs/dbraw/zinc/37/32/62/886373262.db2.gz JJJFOHBSCRPCJZ-UHFFFAOYSA-N 1 0 383.536 3.689 20 30 GHEDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000556887791 886465192 /nfs/dbraw/zinc/46/51/92/886465192.db2.gz IGNLJWGDAVCZKE-SBUREZEXSA-N 1 0 379.504 3.901 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808706913 886689694 /nfs/dbraw/zinc/68/96/94/886689694.db2.gz BCXGOBRWUGNXLF-HXUWFJFHSA-N 1 0 378.472 3.842 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000126167395 886938879 /nfs/dbraw/zinc/93/88/79/886938879.db2.gz ODAHPJYZOHTMFO-WQMHRJNTSA-N 1 0 375.472 3.518 20 30 GHEDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2ccc(SC)c(C#N)c2)cc1 ZINC001184258809 913104560 /nfs/dbraw/zinc/10/45/60/913104560.db2.gz ZLHGMQXHNBICFH-FQEVSTJZSA-N 1 0 383.517 3.644 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000127941675 887127428 /nfs/dbraw/zinc/12/74/28/887127428.db2.gz NLYCAULUZJXEHD-AOIWGVFYSA-N 1 0 397.548 3.847 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670214539 887190421 /nfs/dbraw/zinc/19/04/21/887190421.db2.gz QTMSWJINZAYGGF-NRFANRHFSA-N 1 0 379.552 3.704 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccsc1 ZINC000487995794 887253858 /nfs/dbraw/zinc/25/38/58/887253858.db2.gz RZTQBWMYZGJLLC-OAHLLOKOSA-N 1 0 393.310 3.807 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[C@H]1C ZINC000488000426 887276014 /nfs/dbraw/zinc/27/60/14/887276014.db2.gz FIRRJTMLGQHXEG-QAPCUYQASA-N 1 0 389.565 3.964 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000188755412 887679657 /nfs/dbraw/zinc/67/96/57/887679657.db2.gz SZXFYEHODCGMSL-IBGZPJMESA-N 1 0 393.491 3.550 20 30 GHEDRO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000915835895 887684043 /nfs/dbraw/zinc/68/40/43/887684043.db2.gz ZVJWXBPJTCALFY-UHFFFAOYSA-N 1 0 393.531 3.888 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000153345570 887921899 /nfs/dbraw/zinc/92/18/99/887921899.db2.gz YTAGUMQJXABYHK-MRXNPFEDSA-N 1 0 376.460 3.927 20 30 GHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)CSc3ccc(C#N)cc3)cc21 ZINC000153351108 888056750 /nfs/dbraw/zinc/05/67/50/888056750.db2.gz ATBOECXOSKCTRQ-UHFFFAOYSA-N 1 0 378.501 3.805 20 30 GHEDRO N#CCSc1ccccc1NC(=O)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000053815072 888251707 /nfs/dbraw/zinc/25/17/07/888251707.db2.gz YMHCSIIDXZUOID-UHFFFAOYSA-N 1 0 379.485 3.736 20 30 GHEDRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122800662 888297909 /nfs/dbraw/zinc/29/79/09/888297909.db2.gz IYQGOAKJTHYYDN-UHFFFAOYSA-N 1 0 385.515 3.965 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000763233651 888376795 /nfs/dbraw/zinc/37/67/95/888376795.db2.gz ZUTZBVKZDUFTQC-RUZDIDTESA-N 1 0 383.495 3.944 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3cc(C#N)nc(C4CC4)n3)cc2F)CC1 ZINC000865505599 888394605 /nfs/dbraw/zinc/39/46/05/888394605.db2.gz HPICYIGNCQXNOS-UHFFFAOYSA-N 1 0 380.471 3.639 20 30 GHEDRO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)c(Cl)c1 ZINC001132213249 888405105 /nfs/dbraw/zinc/40/51/05/888405105.db2.gz BTSXBTVLDWFBFK-WDZFZDKYSA-N 1 0 383.879 3.828 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000454287559 888430582 /nfs/dbraw/zinc/43/05/82/888430582.db2.gz AHBJJOVIELWHJE-HNNXBMFYSA-N 1 0 383.521 3.554 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3F)cc2)CC1 ZINC000609239675 888469787 /nfs/dbraw/zinc/46/97/87/888469787.db2.gz VUGSFIVUCXTIMH-UHFFFAOYSA-N 1 0 394.494 3.929 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000865713323 888535767 /nfs/dbraw/zinc/53/57/67/888535767.db2.gz OJZFVOUVUQJENG-WGSAOQKQSA-N 1 0 398.551 3.953 20 30 GHEDRO O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000644423590 913267555 /nfs/dbraw/zinc/26/75/55/913267555.db2.gz APSDMVQMFRPBPF-MFKMUULPSA-N 1 0 375.284 3.702 20 30 GHEDRO N#CCOc1cccc(CC(=O)Oc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000810549471 888642538 /nfs/dbraw/zinc/64/25/38/888642538.db2.gz MBHAIWSNWPTAKZ-UHFFFAOYSA-N 1 0 394.471 3.602 20 30 GHEDRO N#Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4sccc4Cl)C3)C2=O)c1 ZINC001275315124 913266236 /nfs/dbraw/zinc/26/62/36/913266236.db2.gz PRPVCDFOQHNOIW-HXUWFJFHSA-N 1 0 385.920 3.898 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1nc2ccccc2s1 ZINC000916060973 888675708 /nfs/dbraw/zinc/67/57/08/888675708.db2.gz BWWRAHGRCBQGTP-QXMHVHEDSA-N 1 0 390.512 3.772 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3sccc3CC#N)cc2)CC1 ZINC000865987672 888678913 /nfs/dbraw/zinc/67/89/13/888678913.db2.gz AKTLNARESGHIHD-UHFFFAOYSA-N 1 0 382.533 3.844 20 30 GHEDRO O=C(C[NH2+]C1(c2ccc(F)cc2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000532723870 888807853 /nfs/dbraw/zinc/80/78/53/888807853.db2.gz ASMXFGDYLBMUGF-UHFFFAOYSA-N 1 0 390.380 3.591 20 30 GHEDRO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)ccc1C#N ZINC000488088511 888815851 /nfs/dbraw/zinc/81/58/51/888815851.db2.gz YMNWKDXHAMODBL-KRWDZBQOSA-N 1 0 383.517 3.600 20 30 GHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)NCc3ccc(C#N)cc3)oc21 ZINC000542587826 888837623 /nfs/dbraw/zinc/83/76/23/888837623.db2.gz YMFFFEUBCJEWON-OAHLLOKOSA-N 1 0 377.444 3.670 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000866449667 888883108 /nfs/dbraw/zinc/88/31/08/888883108.db2.gz ZBGCTHGGZVKUFV-QGZVFWFLSA-N 1 0 390.487 3.834 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCCc2cc3cc(Br)ccc3o2)CC1 ZINC000747637367 888892249 /nfs/dbraw/zinc/89/22/49/888892249.db2.gz FYMKYDJBDNYFNN-UHFFFAOYSA-N 1 0 390.277 3.626 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)CC1 ZINC000747632421 888893615 /nfs/dbraw/zinc/89/36/15/888893615.db2.gz WGDMMPXYKYCNCY-UHFFFAOYSA-N 1 0 389.474 3.884 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000810821944 888908668 /nfs/dbraw/zinc/90/86/68/888908668.db2.gz OJLTXYQJSDIJNL-NRFANRHFSA-N 1 0 382.439 3.897 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1cccc(OCC#N)c1 ZINC000810824006 888912402 /nfs/dbraw/zinc/91/24/02/888912402.db2.gz NOQYGILUIOWJNB-QFIPXVFZSA-N 1 0 392.499 3.975 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CC[C@H](C2CC2)O1 ZINC000916410598 888964760 /nfs/dbraw/zinc/96/47/60/888964760.db2.gz WDPDTEJZFWMRRV-ZWKOTPCHSA-N 1 0 376.570 3.542 20 30 GHEDRO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000866617095 888970700 /nfs/dbraw/zinc/97/07/00/888970700.db2.gz DXYDPGASWFNEJL-KBXCAEBGSA-N 1 0 378.476 3.540 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287376623 913299188 /nfs/dbraw/zinc/29/91/88/913299188.db2.gz ZPPWWXDZGCIVFO-LBPRGKRZSA-N 1 0 379.302 3.515 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000867661190 889121303 /nfs/dbraw/zinc/12/13/03/889121303.db2.gz GLGNPMZMIZBJOT-KRWDZBQOSA-N 1 0 395.931 3.765 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H](C)[N@H+]1C ZINC000454492824 889184174 /nfs/dbraw/zinc/18/41/74/889184174.db2.gz ABCVLLNOHSQWJC-HDICACEKSA-N 1 0 392.503 3.888 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000122837410 889208496 /nfs/dbraw/zinc/20/84/96/889208496.db2.gz AKHATNCHAJJPAY-UHFFFAOYSA-N 1 0 399.498 3.848 20 30 GHEDRO Cc1cc([C@@H]([NH3+])CC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc(Cl)n1 ZINC000868052069 889271812 /nfs/dbraw/zinc/27/18/12/889271812.db2.gz NGBLNBXFAWSOSZ-WMLDXEAASA-N 1 0 396.800 3.725 20 30 GHEDRO Cc1cc([C@H]([NH3+])CC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc(Cl)n1 ZINC000868052068 889272429 /nfs/dbraw/zinc/27/24/29/889272429.db2.gz NGBLNBXFAWSOSZ-RHSMWYFYSA-N 1 0 396.800 3.725 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000454564263 889334751 /nfs/dbraw/zinc/33/47/51/889334751.db2.gz LGPSCLCBNWGDRI-YWZLYKJASA-N 1 0 382.533 3.943 20 30 GHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 ZINC000868208798 889352906 /nfs/dbraw/zinc/35/29/06/889352906.db2.gz BSUIKNLNMLVABI-YVEFUNNKSA-N 1 0 376.382 3.681 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)c1 ZINC000868253858 889371608 /nfs/dbraw/zinc/37/16/08/889371608.db2.gz RARCXBGYZMHDCZ-FQEVSTJZSA-N 1 0 398.551 3.918 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454644804 889454318 /nfs/dbraw/zinc/45/43/18/889454318.db2.gz OKOPBSVVCRGRLQ-KRWDZBQOSA-N 1 0 378.476 3.553 20 30 GHEDRO CO[C@H](C)C[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C(C)C ZINC000532972042 889478058 /nfs/dbraw/zinc/47/80/58/889478058.db2.gz LJPCUITZJRUZHU-QGZVFWFLSA-N 1 0 396.535 3.709 20 30 GHEDRO N#CCSCCC[NH+]1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795035783 889577932 /nfs/dbraw/zinc/57/79/32/889577932.db2.gz XKXBBVGYYFOUES-UXHICEINSA-N 1 0 387.549 3.660 20 30 GHEDRO N#CCc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001132801088 889588534 /nfs/dbraw/zinc/58/85/34/889588534.db2.gz IDLOLEJKUOIUNJ-IBGZPJMESA-N 1 0 388.393 3.541 20 30 GHEDRO CN(C(=O)c1ccc2c(C#N)c[nH]c2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000868810187 889608349 /nfs/dbraw/zinc/60/83/49/889608349.db2.gz PYJXAFPFWFIJIO-UHFFFAOYSA-N 1 0 378.398 3.528 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000124877294 889800132 /nfs/dbraw/zinc/80/01/32/889800132.db2.gz ALHKMGVSLWQVOI-UHFFFAOYSA-N 1 0 380.488 3.608 20 30 GHEDRO N#Cc1cnccc1C[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001170639495 889830790 /nfs/dbraw/zinc/83/07/90/889830790.db2.gz PWQMNVNRUKWFES-REWPJTCUSA-N 1 0 389.430 3.633 20 30 GHEDRO C=CCCCCCC[N@H+]1CCOC[C@]2(CC(=O)N(CCC(F)(F)F)C2)C1 ZINC001275329004 913389810 /nfs/dbraw/zinc/38/98/10/913389810.db2.gz JIGFNEDBUYKMNR-GOSISDBHSA-N 1 0 376.463 3.626 20 30 GHEDRO COc1ccc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)nc1CC#N ZINC001170644200 889969759 /nfs/dbraw/zinc/96/97/59/889969759.db2.gz GJVJVNAUCSAKFY-KWOGNLBTSA-N 1 0 376.504 3.789 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000811897267 890097222 /nfs/dbraw/zinc/09/72/22/890097222.db2.gz RUGZBWPIBSDHQD-IERDGZPVSA-N 1 0 396.922 3.934 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000869929173 890140989 /nfs/dbraw/zinc/14/09/89/890140989.db2.gz SRWYXHQZAXPTMW-SFHVURJKSA-N 1 0 382.401 3.853 20 30 GHEDRO N#CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000811957197 890158671 /nfs/dbraw/zinc/15/86/71/890158671.db2.gz YKCBLEMMVMJEQJ-HXUWFJFHSA-N 1 0 377.488 3.621 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000812187607 890396753 /nfs/dbraw/zinc/39/67/53/890396753.db2.gz ALLWQMSAGSLRPC-DOTOQJQBSA-N 1 0 388.947 3.736 20 30 GHEDRO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000916929487 890421104 /nfs/dbraw/zinc/42/11/04/890421104.db2.gz MJHNBIMTQSMQIM-IBGZPJMESA-N 1 0 391.471 3.642 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)c(SC)cc1OC ZINC000533432389 890551076 /nfs/dbraw/zinc/55/10/76/890551076.db2.gz WQJXLOOXHHAOBU-UHFFFAOYSA-N 1 0 399.516 3.758 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000533433859 890554830 /nfs/dbraw/zinc/55/48/30/890554830.db2.gz HDAHIABJJQNYQK-UHFFFAOYSA-N 1 0 396.494 3.646 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871095433 890643203 /nfs/dbraw/zinc/64/32/03/890643203.db2.gz UEFIEOSZBFWPEK-JENIJYKNSA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCCCCCCCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000812493834 890678299 /nfs/dbraw/zinc/67/82/99/890678299.db2.gz XNVVTABREPLQET-UHFFFAOYSA-N 1 0 378.605 3.713 20 30 GHEDRO C=C(C)C[C@@H](C)C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812772137 890948217 /nfs/dbraw/zinc/94/82/17/890948217.db2.gz AKRHUYKSWUPHBY-LMDPOFIKSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871642593 890957201 /nfs/dbraw/zinc/95/72/01/890957201.db2.gz LOJAXTNFFBCNEA-OKZBNKHCSA-N 1 0 376.570 3.542 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CCCc2c1cnn2C ZINC000246300199 890969726 /nfs/dbraw/zinc/96/97/26/890969726.db2.gz PRFFHJWEEWVCCE-QAPCUYQASA-N 1 0 397.548 3.620 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1cc(CC#N)ccn1)c1cccc(C(F)(F)F)c1 ZINC000871727122 890993378 /nfs/dbraw/zinc/99/33/78/890993378.db2.gz FYLFMKVZEHNMAL-MRXNPFEDSA-N 1 0 391.397 3.591 20 30 GHEDRO N#CCc1ccnc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000871732510 890995042 /nfs/dbraw/zinc/99/50/42/890995042.db2.gz FTSKQTKFQCFPCN-UHFFFAOYSA-N 1 0 389.503 3.668 20 30 GHEDRO Cc1nc2ccccc2n1CCCCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000812839461 891026730 /nfs/dbraw/zinc/02/67/30/891026730.db2.gz WQCRROABMLFMSN-UHFFFAOYSA-N 1 0 388.519 3.604 20 30 GHEDRO C#C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812879169 891060376 /nfs/dbraw/zinc/06/03/76/891060376.db2.gz MPXSCQHGVKOQRS-QFIPXVFZSA-N 1 0 379.479 3.711 20 30 GHEDRO COc1ccc(-c2n[nH]cc2C[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000053946085 891163967 /nfs/dbraw/zinc/16/39/67/891163967.db2.gz DWJQWGPFKOSENZ-UHFFFAOYSA-N 1 0 378.501 3.980 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(N4CCCC4)o3)C2)CC1 ZINC001137061779 891288471 /nfs/dbraw/zinc/28/84/71/891288471.db2.gz ZZDUARJMBBVPLC-UHFFFAOYSA-N 1 0 387.524 3.880 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1=S ZINC000872723432 891313994 /nfs/dbraw/zinc/31/39/94/891313994.db2.gz LLSDGYRADFHKLT-MJGOQNOKSA-N 1 0 383.565 3.559 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1=S ZINC000872723426 891314209 /nfs/dbraw/zinc/31/42/09/891314209.db2.gz LLSDGYRADFHKLT-HKUYNNGSSA-N 1 0 383.565 3.559 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000247853921 891397147 /nfs/dbraw/zinc/39/71/47/891397147.db2.gz XLPWEGAWZBXJCT-NPFVIJTESA-N 1 0 399.922 3.792 20 30 GHEDRO N#Cc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)o1 ZINC000873411142 891615647 /nfs/dbraw/zinc/61/56/47/891615647.db2.gz KTIFCKSFWZCNBO-RTBURBONSA-N 1 0 393.468 3.567 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CC1 ZINC000747856435 891718388 /nfs/dbraw/zinc/71/83/88/891718388.db2.gz HZDKODUGEPNWHT-NRFANRHFSA-N 1 0 395.526 3.777 20 30 GHEDRO COc1ccc(-c2ccc(C[NH2+]CCOc3ccc(C#N)cc3)o2)c([N+](=O)[O-])c1 ZINC000237427485 891737914 /nfs/dbraw/zinc/73/79/14/891737914.db2.gz STCDJZOFDHCURC-UHFFFAOYSA-N 1 0 393.399 3.904 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000161943630 891840964 /nfs/dbraw/zinc/84/09/64/891840964.db2.gz CLFBPFWAFJHKPA-GOSISDBHSA-N 1 0 376.504 3.721 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000497624367 892006226 /nfs/dbraw/zinc/00/62/26/892006226.db2.gz XBXRDZHMKDFFGZ-OAQYLSRUSA-N 1 0 381.520 3.584 20 30 GHEDRO CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497610113 892008565 /nfs/dbraw/zinc/00/85/65/892008565.db2.gz IOOLCJXHFBFTIN-KRWDZBQOSA-N 1 0 395.503 3.617 20 30 GHEDRO CC[C@@H](/[NH+]=C\c1ccc(N(CC)CC)cc1O)c1ccccc1OCC(=O)NC ZINC000917559289 892168187 /nfs/dbraw/zinc/16/81/87/892168187.db2.gz KDAJRWQXIQCYAK-UQEONJGVSA-N 1 0 397.519 3.933 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(C)c1NC(=O)c1ccccc1F ZINC000729812322 892226877 /nfs/dbraw/zinc/22/68/77/892226877.db2.gz RTRUOYVCAJTPFS-QGZVFWFLSA-N 1 0 394.446 3.641 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3CCCCN3[C@@H]3CC[NH2+]C3)n2)cc1Cl ZINC001212103484 892277851 /nfs/dbraw/zinc/27/78/51/892277851.db2.gz WUVSXIAOXTXIPP-MLGOLLRUSA-N 1 0 392.290 3.804 20 30 GHEDRO C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000875051082 892429638 /nfs/dbraw/zinc/42/96/38/892429638.db2.gz YTYUCDDIBABVPB-NHCUHLMSSA-N 1 0 397.519 3.577 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000497819162 892498628 /nfs/dbraw/zinc/49/86/28/892498628.db2.gz YWNKEVKEKQHWLV-KNQAVFIVSA-N 1 0 381.520 3.930 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]CCCC1(C#N)CCOCC1 ZINC000282063610 892611117 /nfs/dbraw/zinc/61/11/17/892611117.db2.gz SIIIJMGLLMSXFW-UHFFFAOYSA-N 1 0 396.329 3.692 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)NCCC(C)C)CC1)c1ccccc1 ZINC000271781179 892868620 /nfs/dbraw/zinc/86/86/20/892868620.db2.gz ZIWVZGSUEDYVNK-JOCHJYFZSA-N 1 0 399.579 3.684 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000272546497 892909628 /nfs/dbraw/zinc/90/96/28/892909628.db2.gz HRAJPIRWZUCSLX-SFHVURJKSA-N 1 0 376.504 3.675 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000272824160 892936288 /nfs/dbraw/zinc/93/62/88/892936288.db2.gz JOKJOZQYMIIBAS-UHFFFAOYSA-N 1 0 395.956 3.649 20 30 GHEDRO OC[C@@H](CC(F)F)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000428638832 892978668 /nfs/dbraw/zinc/97/86/68/892978668.db2.gz HAECSGPQSFXBRW-SKDRFNHKSA-N 1 0 381.263 3.664 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC000814644914 893038388 /nfs/dbraw/zinc/03/83/88/893038388.db2.gz UPKIWMNINQRBRM-UHFFFAOYSA-N 1 0 385.508 3.812 20 30 GHEDRO COCc1cccc(OCC2(C[NH+]3CCC4(CC3)CC(=O)C=CO4)CCC2)c1 ZINC000933648482 893115531 /nfs/dbraw/zinc/11/55/31/893115531.db2.gz MUADGZQDDVCDRH-UHFFFAOYSA-N 1 0 385.504 3.720 20 30 GHEDRO Cc1ccccc1CC1(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001185192810 913747227 /nfs/dbraw/zinc/74/72/27/913747227.db2.gz MSOMCZKURYRVHD-UHFFFAOYSA-N 1 0 387.527 3.992 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876771086 893322957 /nfs/dbraw/zinc/32/29/57/893322957.db2.gz VLDHVUFLYOCKEZ-BTYIYWSLSA-N 1 0 387.487 3.553 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000877033880 893449391 /nfs/dbraw/zinc/44/93/91/893449391.db2.gz QNPNLEDFFDURSH-VQIMIIECSA-N 1 0 391.943 3.699 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000877042426 893453596 /nfs/dbraw/zinc/45/35/96/893453596.db2.gz QUIYPGVKOZFUFE-MJGOQNOKSA-N 1 0 387.524 3.941 20 30 GHEDRO Cc1nc(CN2CCCC23CC[NH+](Cc2ccc(OCC#N)cc2)CC3)cs1 ZINC001137117020 893505572 /nfs/dbraw/zinc/50/55/72/893505572.db2.gz ZCSDWAQJNLGTCX-UHFFFAOYSA-N 1 0 396.560 3.985 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1 ZINC001137116381 893515657 /nfs/dbraw/zinc/51/56/57/893515657.db2.gz BXYOLRMXTZEQAE-UHFFFAOYSA-N 1 0 397.544 3.517 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001137117812 893553437 /nfs/dbraw/zinc/55/34/37/893553437.db2.gz HDGFHXVXSTVFSP-QHCPKHFHSA-N 1 0 379.479 3.969 20 30 GHEDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1c1ccccc1 ZINC001137121461 893651241 /nfs/dbraw/zinc/65/12/41/893651241.db2.gz MSNORSXWNVOHIG-VXKWHMMOSA-N 1 0 378.472 3.758 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000536741327 893669553 /nfs/dbraw/zinc/66/95/53/893669553.db2.gz XOGGWJRIOLUINU-UHFFFAOYSA-N 1 0 392.341 3.956 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000934554812 893708786 /nfs/dbraw/zinc/70/87/86/893708786.db2.gz QJRPFGUUDIINHM-IRXDYDNUSA-N 1 0 397.498 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137124016 893712782 /nfs/dbraw/zinc/71/27/82/893712782.db2.gz MDOCSRZUEUTASN-IBGZPJMESA-N 1 0 385.508 3.858 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000563444608 893732090 /nfs/dbraw/zinc/73/20/90/893732090.db2.gz XCYSJBCSXIQQLD-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO CCOP(=O)(CCC[NH2+]C1CCN(c2ccccc2C#N)CC1)OCC ZINC000877683062 893760188 /nfs/dbraw/zinc/76/01/88/893760188.db2.gz XSUNDWXVBISKQE-UHFFFAOYSA-N 1 0 379.441 3.773 20 30 GHEDRO Cn1nc(C(F)(F)F)c(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c1Cl ZINC000877681765 893760388 /nfs/dbraw/zinc/76/03/88/893760388.db2.gz CFJWIRAWMPLTGW-UHFFFAOYSA-N 1 0 397.832 3.723 20 30 GHEDRO Cc1nsc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1C#N ZINC000459555243 893800138 /nfs/dbraw/zinc/80/01/38/893800138.db2.gz RAMUQSPVPYBTDU-UHFFFAOYSA-N 1 0 377.901 3.572 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000877928525 893898902 /nfs/dbraw/zinc/89/89/02/893898902.db2.gz YHOIGHXLIJTBHP-BJKOFHAPSA-N 1 0 376.500 3.873 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000563555836 893898753 /nfs/dbraw/zinc/89/87/53/893898753.db2.gz WLWJVMIGULSOBS-HXUWFJFHSA-N 1 0 398.457 3.885 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878021481 893955217 /nfs/dbraw/zinc/95/52/17/893955217.db2.gz HKZLOFHZBYFTLK-XXBNENTESA-N 1 0 399.535 3.664 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459673362 894045803 /nfs/dbraw/zinc/04/58/03/894045803.db2.gz YKVKWHFRWMYKPS-KRWDZBQOSA-N 1 0 395.425 3.568 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000878240199 894123761 /nfs/dbraw/zinc/12/37/61/894123761.db2.gz DWDSGQYANOUQSX-ISKFKSNPSA-N 1 0 392.499 3.814 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2c(F)cccc2F)cc1 ZINC000537029614 894237295 /nfs/dbraw/zinc/23/72/95/894237295.db2.gz FOFPACGNUKVRFY-HNNXBMFYSA-N 1 0 387.430 3.961 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(Oc2ccncc2C)CC1)c1ccccc1 ZINC000878522554 894358188 /nfs/dbraw/zinc/35/81/88/894358188.db2.gz OMJNYMNACFQSRI-HSZRJFAPSA-N 1 0 377.488 3.674 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc2ccccc2s1 ZINC001185458341 913882640 /nfs/dbraw/zinc/88/26/40/913882640.db2.gz HPYZFHLSKBSJKZ-UHFFFAOYSA-N 1 0 399.541 3.525 20 30 GHEDRO Cn1ccnc1[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000537295731 894721313 /nfs/dbraw/zinc/72/13/13/894721313.db2.gz MTVUQQIKGMOWCY-HSZRJFAPSA-N 1 0 385.515 3.635 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000878936566 894735456 /nfs/dbraw/zinc/73/54/56/894735456.db2.gz OPMORHZBJNUBOE-WKILWMFISA-N 1 0 383.427 3.668 20 30 GHEDRO C[C@H]1[C@@H](OC(=O)Cc2ccc(OCC#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000816470164 894831621 /nfs/dbraw/zinc/83/16/21/894831621.db2.gz JLHUTPXYEYXVIG-AVRDEDQJSA-N 1 0 378.472 3.728 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000564379961 894913893 /nfs/dbraw/zinc/91/38/93/894913893.db2.gz QROWPWRWVVIJAI-IBGZPJMESA-N 1 0 390.535 3.570 20 30 GHEDRO Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCCCC(C)(C)C#N)C2)cn1 ZINC000879606141 895169785 /nfs/dbraw/zinc/16/97/85/895169785.db2.gz QLWPHGADHRIHQF-ZWKOTPCHSA-N 1 0 388.556 3.887 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000879669162 895217201 /nfs/dbraw/zinc/21/72/01/895217201.db2.gz IYRHQLVBSPRLRY-IAOVAPTHSA-N 1 0 383.389 3.948 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000564962181 895328893 /nfs/dbraw/zinc/32/88/93/895328893.db2.gz CVTDBNXVXQSMHV-HOTGVXAUSA-N 1 0 385.478 3.660 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC000880026155 895461834 /nfs/dbraw/zinc/46/18/34/895461834.db2.gz FXTNRPSJFWITQL-IRXDYDNUSA-N 1 0 397.441 3.736 20 30 GHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000565437686 895624484 /nfs/dbraw/zinc/62/44/84/895624484.db2.gz XRFBXFOXZRKUDJ-UHFFFAOYSA-N 1 0 389.381 3.567 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)c1C#N ZINC000565499203 895678518 /nfs/dbraw/zinc/67/85/18/895678518.db2.gz XPBDBONEOJBVLV-HNNXBMFYSA-N 1 0 386.540 3.656 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC000880714231 895824688 /nfs/dbraw/zinc/82/46/88/895824688.db2.gz LGYVUOJTJNJOLO-CYBMUJFWSA-N 1 0 385.418 3.579 20 30 GHEDRO C[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001170880718 895920084 /nfs/dbraw/zinc/92/00/84/895920084.db2.gz DVLDQZOZEVCPHW-HKUYNNGSSA-N 1 0 387.524 3.810 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H]3Cc4cccc(O)c4C3)sc2C1 ZINC000565937895 895994664 /nfs/dbraw/zinc/99/46/64/895994664.db2.gz NSYTYGQRLOTSQY-HIFRSBDPSA-N 1 0 395.528 3.536 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000880928961 896007057 /nfs/dbraw/zinc/00/70/57/896007057.db2.gz ZLEKBDYLXXTUQS-DOTOQJQBSA-N 1 0 382.430 3.535 20 30 GHEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccccc1 ZINC000566024162 896053346 /nfs/dbraw/zinc/05/33/46/896053346.db2.gz JIZFPQFINJBLHD-LEWJYISDSA-N 1 0 383.517 3.736 20 30 GHEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000566026579 896054370 /nfs/dbraw/zinc/05/43/70/896054370.db2.gz XFGKIAVTEAYRHT-IEBWSBKVSA-N 1 0 389.293 3.823 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566187468 896161372 /nfs/dbraw/zinc/16/13/72/896161372.db2.gz SSXGDBFIULWCMG-HUUCEWRRSA-N 1 0 382.426 3.732 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000881150207 896201030 /nfs/dbraw/zinc/20/10/30/896201030.db2.gz MXPFNJHXCMTYQG-CTNGQTDRSA-N 1 0 389.503 3.666 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]CCC(=O)Nc2cccc(F)c2C)ccc1OC ZINC000819068937 896384144 /nfs/dbraw/zinc/38/41/44/896384144.db2.gz NHTPHRHLNPEGRZ-QGZVFWFLSA-N 1 0 399.466 3.942 20 30 GHEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819190597 896460262 /nfs/dbraw/zinc/46/02/62/896460262.db2.gz IPCGBFOEARKDAP-KZULUSFZSA-N 1 0 377.257 3.714 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819250094 896491318 /nfs/dbraw/zinc/49/13/18/896491318.db2.gz ABOBTPFMKQVIOC-LADRWXRNSA-N 1 0 389.858 3.759 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000819257219 896498107 /nfs/dbraw/zinc/49/81/07/896498107.db2.gz BIRBQGMVTRFQQO-LPHOPBHVSA-N 1 0 376.287 3.767 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000566735196 896532784 /nfs/dbraw/zinc/53/27/84/896532784.db2.gz BPGSTGFOHSMKBX-ZIFCJYIRSA-N 1 0 387.549 3.768 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C[NH+](C)C)C(C)C)s1 ZINC000819278437 896564202 /nfs/dbraw/zinc/56/42/02/896564202.db2.gz DLWFDKBPSVZYKU-CYBMUJFWSA-N 1 0 375.991 3.541 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000819376331 896650197 /nfs/dbraw/zinc/65/01/97/896650197.db2.gz AAKSJMJWECXEBN-REWPJTCUSA-N 1 0 399.535 3.677 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000566888189 896667377 /nfs/dbraw/zinc/66/73/77/896667377.db2.gz YHANQIBOPNKHSX-PZJWPPBQSA-N 1 0 376.460 3.957 20 30 GHEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131097605 897321458 /nfs/dbraw/zinc/32/14/58/897321458.db2.gz XBFMEJYWJXDUDD-NRFANRHFSA-N 1 0 387.487 3.798 20 30 GHEDRO C#C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC001275473865 914148734 /nfs/dbraw/zinc/14/87/34/914148734.db2.gz HYJGQJOLSWCCQL-ICSRJNTNSA-N 1 0 397.316 3.762 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1CCCO1 ZINC000883196129 897359674 /nfs/dbraw/zinc/35/96/74/897359674.db2.gz KHGVOARHIOZBSJ-OALUTQOASA-N 1 0 385.533 3.677 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NCc2ccon2)c1 ZINC000131254249 897388086 /nfs/dbraw/zinc/38/80/86/897388086.db2.gz RQPKQAFVBFELTM-UHFFFAOYSA-O 1 0 392.460 3.745 20 30 GHEDRO C[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000568138351 897627834 /nfs/dbraw/zinc/62/78/34/897627834.db2.gz CREVQWOCEOTPLR-MRXNPFEDSA-N 1 0 397.469 3.796 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000568162537 897648539 /nfs/dbraw/zinc/64/85/39/897648539.db2.gz ZMQLXJLARARPMY-VQTJNVASSA-N 1 0 399.878 3.766 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000883623901 897767026 /nfs/dbraw/zinc/76/70/26/897767026.db2.gz INKPQHUINMJOOP-YLJYHZDGSA-N 1 0 393.478 3.525 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC000821342350 897844986 /nfs/dbraw/zinc/84/49/86/897844986.db2.gz MZWWWQKWQPCQJI-RTWAWAEBSA-N 1 0 393.487 3.847 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)CC2 ZINC000568451578 897847904 /nfs/dbraw/zinc/84/79/04/897847904.db2.gz GFFWKJADPOCUIO-FGZHOGPDSA-N 1 0 381.907 3.862 20 30 GHEDRO CC[NH+]1CCC(NC(=O)c2ccc(F)cc2C(F)(F)F)(C(F)(F)F)CC1 ZINC000821654677 898008628 /nfs/dbraw/zinc/00/86/28/898008628.db2.gz QJBTXPZAFFIMME-UHFFFAOYSA-N 1 0 386.311 3.991 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000568658149 898013194 /nfs/dbraw/zinc/01/31/94/898013194.db2.gz KOINENRBYGIJQH-UHFFFAOYSA-N 1 0 391.515 3.833 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000102796544 898034176 /nfs/dbraw/zinc/03/41/76/898034176.db2.gz JGDNAYJMNVZKKE-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCc1nnc2n1CCCCC2)c1ccc(Cl)cc1Cl ZINC000104159132 898129263 /nfs/dbraw/zinc/12/92/63/898129263.db2.gz JQQJLEYYAGMIBY-LBPRGKRZSA-N 1 0 395.338 3.519 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)CC1 ZINC000104416490 898144524 /nfs/dbraw/zinc/14/45/24/898144524.db2.gz IDWNVHUGQXRWRC-UHFFFAOYSA-N 1 0 382.485 3.559 20 30 GHEDRO COC(=O)c1cccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)c1 ZINC000133464497 898440736 /nfs/dbraw/zinc/44/07/36/898440736.db2.gz NVTFBMIUQYURSN-UHFFFAOYSA-O 1 0 391.472 3.812 20 30 GHEDRO CSc1ccc(-c2csc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)cc1 ZINC000884055837 898698900 /nfs/dbraw/zinc/69/89/00/898698900.db2.gz BCAWQOGBCRKQLY-SHYRYGCCSA-N 1 0 384.530 3.610 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000884057535 898708416 /nfs/dbraw/zinc/70/84/16/898708416.db2.gz JWFZVOWSFJAUEN-FVOGYEMRSA-N 1 0 379.891 3.685 20 30 GHEDRO N#CCCCNC(=O)[C@H]1CC12CC[NH+](CCc1ccc(F)cc1Cl)CC2 ZINC001276330226 914283522 /nfs/dbraw/zinc/28/35/22/914283522.db2.gz FRMGKOSFTSTYEL-QGZVFWFLSA-N 1 0 377.891 3.544 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H](C)O1 ZINC000569586055 898808627 /nfs/dbraw/zinc/80/86/27/898808627.db2.gz QELIXUDIAKVGIR-SOUVJXGZSA-N 1 0 375.538 3.572 20 30 GHEDRO CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289699735 914303194 /nfs/dbraw/zinc/30/31/94/914303194.db2.gz GLIMZTCUAYSFOP-DFNIBXOVSA-N 1 0 391.475 3.834 20 30 GHEDRO Cc1cccc(Oc2ccccc2CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1 ZINC000884129148 899002074 /nfs/dbraw/zinc/00/20/74/899002074.db2.gz YTBRGVIXVZGMQQ-FVRICEFQSA-N 1 0 375.472 3.543 20 30 GHEDRO C=C(C)[C@@H](Cc1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1)OCC ZINC000823402474 899013421 /nfs/dbraw/zinc/01/34/21/899013421.db2.gz YXDRYNMDNNXDBN-GOSISDBHSA-N 1 0 375.444 3.530 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC(C[NH+](C)C)CC2)c1C#N ZINC000331650783 899057785 /nfs/dbraw/zinc/05/77/85/899057785.db2.gz WMQJYIHSNBESST-UHFFFAOYSA-N 1 0 399.583 3.694 20 30 GHEDRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884143373 899067268 /nfs/dbraw/zinc/06/72/68/899067268.db2.gz FXFYKSUKRCRAJW-DBAFAGGRSA-N 1 0 379.529 3.596 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(F)ccc2I)no1 ZINC001206100065 899085103 /nfs/dbraw/zinc/08/51/03/899085103.db2.gz ISYCRRJHFDMUSR-UHFFFAOYSA-N 1 0 399.207 3.589 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4c(Cl)cccc4C3)CC2)cc1 ZINC001171031886 899266266 /nfs/dbraw/zinc/26/62/66/899266266.db2.gz YVIFVMVOPYVFQM-HXUWFJFHSA-N 1 0 393.918 3.963 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000823801627 899267365 /nfs/dbraw/zinc/26/73/65/899267365.db2.gz LDJCDOCIPZGXGG-RTWAWAEBSA-N 1 0 398.551 3.705 20 30 GHEDRO CC(C)COc1ccc(C(C)(C)C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000570470882 899329780 /nfs/dbraw/zinc/32/97/80/899329780.db2.gz PJRVRXOGRYRBJG-UHFFFAOYSA-N 1 0 377.492 3.703 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000570859132 899646083 /nfs/dbraw/zinc/64/60/83/899646083.db2.gz YARPOGKQDIIPOR-YYWHXJBOSA-N 1 0 383.561 3.686 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000332586056 899779966 /nfs/dbraw/zinc/77/99/66/899779966.db2.gz DPZSFRSDUNLQIQ-HOTGVXAUSA-N 1 0 396.413 3.590 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000332586059 899780087 /nfs/dbraw/zinc/78/00/87/899780087.db2.gz DPZSFRSDUNLQIQ-HZPDHXFCSA-N 1 0 396.413 3.590 20 30 GHEDRO CC(C)c1ccc(CC2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)cc1 ZINC000884322786 899791523 /nfs/dbraw/zinc/79/15/23/899791523.db2.gz VKCIVZUXSQTGPW-MHIUNMELSA-N 1 0 379.548 3.730 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C2)CC1 ZINC000332612921 899798591 /nfs/dbraw/zinc/79/85/91/899798591.db2.gz AHVPKMSHRLHPJQ-AWEZNQCLSA-N 1 0 396.413 3.652 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(-n2ccnc2C)c(F)c1 ZINC000571434227 899866330 /nfs/dbraw/zinc/86/63/30/899866330.db2.gz LQJHBSLRJRWPNQ-FQEVSTJZSA-N 1 0 395.478 3.578 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000824872660 899878535 /nfs/dbraw/zinc/87/85/35/899878535.db2.gz VWSQERBDNPVONO-UHFFFAOYSA-N 1 0 376.500 3.867 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000571623172 899929085 /nfs/dbraw/zinc/92/90/85/899929085.db2.gz MTXSLXBSJUPVBG-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000571784237 899969820 /nfs/dbraw/zinc/96/98/20/899969820.db2.gz QWTSJSKQRUQYEC-IBGZPJMESA-N 1 0 399.292 3.785 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000333121265 899978992 /nfs/dbraw/zinc/97/89/92/899978992.db2.gz VAAUTHHLMQHABR-PKOBYXMFSA-N 1 0 379.508 3.695 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000572092672 900066029 /nfs/dbraw/zinc/06/60/29/900066029.db2.gz ZRIJFVOFLFOUKV-UHFFFAOYSA-N 1 0 383.540 3.662 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)C[N@@H+]1Cc1ccccc1 ZINC000135319563 900221562 /nfs/dbraw/zinc/22/15/62/900221562.db2.gz GAJYSZUELBYRGJ-YJBOKZPZSA-N 1 0 382.439 3.513 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000135324954 900223534 /nfs/dbraw/zinc/22/35/34/900223534.db2.gz SQNGRIDZFJQBMI-UHFFFAOYSA-N 1 0 384.455 3.632 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000135331354 900226355 /nfs/dbraw/zinc/22/63/55/900226355.db2.gz VVNJWUMMKZZSRC-LPHOPBHVSA-N 1 0 396.466 3.760 20 30 GHEDRO O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1CC[NH+](C2CC2)CC1 ZINC000805903802 900238240 /nfs/dbraw/zinc/23/82/40/900238240.db2.gz NSKGZZOMZICWKJ-UHFFFAOYSA-N 1 0 383.279 3.575 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[N@@H+]1C ZINC000289960228 914449552 /nfs/dbraw/zinc/44/95/52/914449552.db2.gz WWDBIPPMDJQIIV-MAUKXSAKSA-N 1 0 379.464 3.692 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3F)C2)C1=O ZINC001143789513 900510707 /nfs/dbraw/zinc/51/07/07/900510707.db2.gz UNRXWERNMAOIGH-SFHVURJKSA-N 1 0 386.389 3.725 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(OCC)c3F)C2)C1=O ZINC001143825707 900572734 /nfs/dbraw/zinc/57/27/34/900572734.db2.gz VNKSRFMOVVCMFN-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885967075 900657846 /nfs/dbraw/zinc/65/78/46/900657846.db2.gz GYJGTHFVDBQZAK-RTBURBONSA-N 1 0 391.556 3.543 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2F)ccc1OC ZINC000885981663 900664745 /nfs/dbraw/zinc/66/47/45/900664745.db2.gz KPIJTMKTOKCGBA-INIZCTEOSA-N 1 0 388.439 3.822 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844318783 900726861 /nfs/dbraw/zinc/72/68/61/900726861.db2.gz TYWYLLITSZSRBM-NVXWUHKLSA-N 1 0 388.468 3.640 20 30 GHEDRO C[N@H+](CCOc1cc(F)cc(Br)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367879 900778776 /nfs/dbraw/zinc/77/87/76/900778776.db2.gz CMDUECSOWAWMFL-GOSISDBHSA-N 1 0 393.256 3.504 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000574193989 900815177 /nfs/dbraw/zinc/81/51/77/900815177.db2.gz UQIJNEBIDMVJSW-PNLZDCPESA-N 1 0 380.492 3.967 20 30 GHEDRO CSc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1C#N ZINC000886278616 900914081 /nfs/dbraw/zinc/91/40/81/900914081.db2.gz DYXPHCZAFDRHTC-UHFFFAOYSA-N 1 0 395.528 3.571 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1Cl ZINC000574708549 900975992 /nfs/dbraw/zinc/97/59/92/900975992.db2.gz RRIFGSHVXJKLQS-HNNXBMFYSA-N 1 0 383.879 3.535 20 30 GHEDRO N#CCCc1ccc(S(=O)(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000886399227 900978888 /nfs/dbraw/zinc/97/88/88/900978888.db2.gz LUIFVERPMAUJOO-UHFFFAOYSA-N 1 0 383.517 3.582 20 30 GHEDRO N#CCCc1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000886395969 900978989 /nfs/dbraw/zinc/97/89/89/900978989.db2.gz VLJGLUVGWLZECD-UHFFFAOYSA-N 1 0 383.517 3.582 20 30 GHEDRO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886410724 900987382 /nfs/dbraw/zinc/98/73/82/900987382.db2.gz AHMDYADNYHBPGS-OFNKIYASSA-N 1 0 399.535 3.758 20 30 GHEDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)n1-c1ccc(C#N)cc1 ZINC001144156311 901164644 /nfs/dbraw/zinc/16/46/44/901164644.db2.gz QYOQSAXDODKLEA-YADHBBJMSA-N 1 0 376.504 3.713 20 30 GHEDRO C#CCN(C(=O)c1cccc(Oc2ccc(Cl)cn2)c1)C1CC[NH+](C)CC1 ZINC000886572561 901173618 /nfs/dbraw/zinc/17/36/18/901173618.db2.gz QQFZLXXBVJRYJI-UHFFFAOYSA-N 1 0 383.879 3.697 20 30 GHEDRO C#CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)s1)C1CC[NH+](C)CC1 ZINC000886585239 901178407 /nfs/dbraw/zinc/17/84/07/901178407.db2.gz NPOPAVTZXHFHJZ-UHFFFAOYSA-N 1 0 396.516 3.562 20 30 GHEDRO C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000844713966 901193557 /nfs/dbraw/zinc/19/35/57/901193557.db2.gz LQVLLLHIHNNGAG-HSALFYBXSA-N 1 0 391.515 3.641 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c(C#N)cnc2c(Br)cccc21 ZINC000575855938 901392635 /nfs/dbraw/zinc/39/26/35/901392635.db2.gz BDPUCUJVIPAOSX-ZFWWWQNUSA-N 1 0 385.309 3.932 20 30 GHEDRO C#CCC1(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)CCCCC1 ZINC000844847113 901426713 /nfs/dbraw/zinc/42/67/13/901426713.db2.gz FDFREDROPBTYTN-UHFFFAOYSA-N 1 0 397.563 3.615 20 30 GHEDRO C#CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CCCc2ccccc21 ZINC000887232750 901612728 /nfs/dbraw/zinc/61/27/28/901612728.db2.gz WSRSXHGMSALNNE-UNMCSNQZSA-N 1 0 382.573 3.743 20 30 GHEDRO C=CC[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccncc1 ZINC000844988953 901658180 /nfs/dbraw/zinc/65/81/80/901658180.db2.gz QFBIYDLELDJDGN-QFIPXVFZSA-N 1 0 389.503 3.534 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121775724 901673693 /nfs/dbraw/zinc/67/36/93/901673693.db2.gz YEKPWFKDSNQKFW-ICSRJNTNSA-N 1 0 381.476 3.848 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000290187961 914563959 /nfs/dbraw/zinc/56/39/59/914563959.db2.gz ROVUEEWCZLPNFI-JOCHJYFZSA-N 1 0 375.472 3.571 20 30 GHEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000576207399 901815317 /nfs/dbraw/zinc/81/53/17/901815317.db2.gz XBHOTEHDTHDHSI-NQIIRXRSSA-N 1 0 395.528 3.729 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)N(c1cccc(C)c1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001144390163 901953240 /nfs/dbraw/zinc/95/32/40/901953240.db2.gz KAXQQPYZAAVXQB-ISKFKSNPSA-N 1 0 376.500 3.648 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000576916359 902356029 /nfs/dbraw/zinc/35/60/29/902356029.db2.gz DZEQEPADQJWYHI-UHFFFAOYSA-N 1 0 392.551 3.778 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(C)c(Br)cc3F)C2)C1=O ZINC001144583491 902424484 /nfs/dbraw/zinc/42/44/84/902424484.db2.gz HMKPDZWYRDLGLY-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001171208801 902634092 /nfs/dbraw/zinc/63/40/92/902634092.db2.gz FAGABRZSUBPVNA-WZONZLPQSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001171210217 902672569 /nfs/dbraw/zinc/67/25/69/902672569.db2.gz QNSKGQUNDVJCQI-GOSISDBHSA-N 1 0 377.488 3.853 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2CCOCC2)[n+]2cccc(C)c2)c(C)s1 ZINC000263909072 902673158 /nfs/dbraw/zinc/67/31/58/902673158.db2.gz JNSMTGIBARRRQL-UHFFFAOYSA-O 1 0 389.566 3.668 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000129385339 902801999 /nfs/dbraw/zinc/80/19/99/902801999.db2.gz BZKIDGHLFXCRGO-UHFFFAOYSA-N 1 0 387.455 3.946 20 30 GHEDRO Cc1ccccc1Oc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600719124 902842801 /nfs/dbraw/zinc/84/28/01/902842801.db2.gz BSIYDMLOWAIQGJ-FQEVSTJZSA-N 1 0 380.488 3.948 20 30 GHEDRO CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1c(Cl)cccc1Cl ZINC000600721851 902844755 /nfs/dbraw/zinc/84/47/55/902844755.db2.gz MOAWGXGNFHUOTG-CQSZACIVSA-N 1 0 385.335 3.932 20 30 GHEDRO CN1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726362 902848955 /nfs/dbraw/zinc/84/89/55/902848955.db2.gz SOIBRNPMPFDTHP-QRQLOZEOSA-N 1 0 395.469 3.733 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600735692 902858321 /nfs/dbraw/zinc/85/83/21/902858321.db2.gz PFPNVZWZTMXYJC-YOEHRIQHSA-N 1 0 378.394 3.538 20 30 GHEDRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000600741431 902862864 /nfs/dbraw/zinc/86/28/64/902862864.db2.gz NRMRBZNFHVLZLK-UHFFFAOYSA-N 1 0 378.900 3.564 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC/C=C/c2ccc(Br)cc2)CCOCC1 ZINC000600746140 902868599 /nfs/dbraw/zinc/86/85/99/902868599.db2.gz LHXKINYUILMEJG-FVIAUOKHSA-N 1 0 393.325 3.513 20 30 GHEDRO COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1C#N ZINC000129947012 902875354 /nfs/dbraw/zinc/87/53/54/902875354.db2.gz LGZJDVJXQQQPAU-UHFFFAOYSA-N 1 0 382.483 3.848 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000600840749 902986653 /nfs/dbraw/zinc/98/66/53/902986653.db2.gz YWMFUBIZGXNIAT-UHFFFAOYSA-N 1 0 393.531 3.888 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)cc(OC)c1OC ZINC000772946841 903132194 /nfs/dbraw/zinc/13/21/94/903132194.db2.gz QOQBLRIQQAEZBJ-HNNXBMFYSA-N 1 0 380.492 3.943 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccnn1C)[n+]1ccc(C(CC)CC)cc1 ZINC000846757612 903175645 /nfs/dbraw/zinc/17/56/45/903175645.db2.gz FXCQAQVMHBOIIP-UHFFFAOYSA-O 1 0 385.557 3.988 20 30 GHEDRO C#CC[N@@H+](CCCc1cncn1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000846804880 903229822 /nfs/dbraw/zinc/22/98/22/903229822.db2.gz RCEQZHSKAURUEB-SFHVURJKSA-N 1 0 388.309 3.574 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC2)cc1 ZINC000577840005 903259336 /nfs/dbraw/zinc/25/93/36/903259336.db2.gz YDKNMQWTXOMQPW-UHFFFAOYSA-N 1 0 376.435 3.664 20 30 GHEDRO CN(C)CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CCCCC1 ZINC000577986999 903416414 /nfs/dbraw/zinc/41/64/14/903416414.db2.gz XWGYAOKRTXCFPF-UHFFFAOYSA-N 1 0 379.552 3.903 20 30 GHEDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601186190 903442377 /nfs/dbraw/zinc/44/23/77/903442377.db2.gz CKGRNPVMBAMNPP-UHFFFAOYSA-N 1 0 396.494 3.661 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171266044 903450743 /nfs/dbraw/zinc/45/07/43/903450743.db2.gz DIZLOKYFNUTAGP-CEXWTWQISA-N 1 0 399.535 3.621 20 30 GHEDRO Cc1nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc(-c2cccnc2)n1 ZINC001171275230 903482169 /nfs/dbraw/zinc/48/21/69/903482169.db2.gz QGTVFQAMFTWNMS-UHFFFAOYSA-N 1 0 384.487 3.817 20 30 GHEDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000578085060 903505591 /nfs/dbraw/zinc/50/55/91/903505591.db2.gz GBZMBQHZZFKCKO-JTSKRJEESA-N 1 0 377.488 3.971 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCc1ccc(Br)cc1 ZINC001275549438 914723928 /nfs/dbraw/zinc/72/39/28/914723928.db2.gz UNPMASQYSIJVIW-QZTJIDSGSA-N 1 0 377.326 3.633 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCc3c(Cl)ccc(OC)c3C1)C2 ZINC001171291966 903638073 /nfs/dbraw/zinc/63/80/73/903638073.db2.gz HILVWJWMKLEMJA-IAGOWNOFSA-N 1 0 398.934 3.701 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779058919 903651625 /nfs/dbraw/zinc/65/16/25/903651625.db2.gz VYDPLUXHALQVOA-IEBWSBKVSA-N 1 0 395.478 3.870 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779058926 903653061 /nfs/dbraw/zinc/65/30/61/903653061.db2.gz VYDPLUXHALQVOA-PKOBYXMFSA-N 1 0 395.478 3.870 20 30 GHEDRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000578285809 903692683 /nfs/dbraw/zinc/69/26/83/903692683.db2.gz WPYKWEHHVXNPDH-MRXNPFEDSA-N 1 0 381.442 3.815 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)cc1OCCCC#N ZINC000265202390 903712693 /nfs/dbraw/zinc/71/26/93/903712693.db2.gz BDEUXWYDQNKJPS-OAQYLSRUSA-N 1 0 398.503 3.988 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC[C@H]2CCOC2)c1 ZINC000136525435 903790414 /nfs/dbraw/zinc/79/04/14/903790414.db2.gz GHZCOHRPNMKDAW-OAHLLOKOSA-O 1 0 389.928 3.501 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000772986452 903971505 /nfs/dbraw/zinc/97/15/05/903971505.db2.gz WBEZUJHFYOIWHV-ZIPFOMIPSA-N 1 0 385.464 3.731 20 30 GHEDRO O=C(NCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1N=CC=CC1=O ZINC000772985044 903976641 /nfs/dbraw/zinc/97/66/41/903976641.db2.gz QAMSHHJIAGPOBW-XQDODVJUSA-N 1 0 395.890 3.740 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC000303412946 914775901 /nfs/dbraw/zinc/77/59/01/914775901.db2.gz YMZWQRVTLPFQJB-UHFFFAOYSA-N 1 0 377.444 3.502 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001148466895 904079351 /nfs/dbraw/zinc/07/93/51/904079351.db2.gz YOBMEUNWONEJMZ-UHFFFAOYSA-N 1 0 391.515 3.775 20 30 GHEDRO COc1ccc(CC[NH+]2CCC(NC(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 ZINC001148623052 904142677 /nfs/dbraw/zinc/14/26/77/904142677.db2.gz RAOIQVLUAHNTGD-SFHVURJKSA-N 1 0 391.515 3.759 20 30 GHEDRO CC(C)Oc1ccc(C(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)cc1C#N ZINC001148773092 904207073 /nfs/dbraw/zinc/20/70/73/904207073.db2.gz ZJGADCRXCUOZKO-UHFFFAOYSA-N 1 0 375.472 3.627 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000152094738 904232846 /nfs/dbraw/zinc/23/28/46/904232846.db2.gz AUQJYYCFSVGSDB-GOSISDBHSA-N 1 0 394.494 3.591 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)CC1 ZINC000282706552 904289728 /nfs/dbraw/zinc/28/97/28/904289728.db2.gz BCZPXUBUEXJJHQ-UHFFFAOYSA-N 1 0 397.523 3.946 20 30 GHEDRO N#Cc1ccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c(OC(F)F)c1 ZINC001171361396 904350504 /nfs/dbraw/zinc/35/05/04/904350504.db2.gz CNOVLQRCXGJRFC-QUCCMNQESA-N 1 0 383.442 3.866 20 30 GHEDRO C[C@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)no1 ZINC000153611781 904382712 /nfs/dbraw/zinc/38/27/12/904382712.db2.gz LIYMLKGKAFNTSD-PZBNQXIHSA-N 1 0 378.432 3.685 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030856 904388757 /nfs/dbraw/zinc/38/87/57/904388757.db2.gz WGZGPWHMPRNYKU-GFCCVEGCSA-N 1 0 390.256 3.967 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)cc1C#N ZINC000773082405 904419509 /nfs/dbraw/zinc/41/95/09/904419509.db2.gz HYNUGKNNMINEBS-MRXNPFEDSA-N 1 0 376.460 3.730 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC001171847286 905095731 /nfs/dbraw/zinc/09/57/31/905095731.db2.gz LAZXLSAATLYYTK-QZTJIDSGSA-N 1 0 395.503 3.825 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC001171847288 905095831 /nfs/dbraw/zinc/09/58/31/905095831.db2.gz LAZXLSAATLYYTK-ZWKOTPCHSA-N 1 0 395.503 3.825 20 30 GHEDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076408673 905136672 /nfs/dbraw/zinc/13/66/72/905136672.db2.gz RDQZYOJQLWXOII-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000174510705 905287022 /nfs/dbraw/zinc/28/70/22/905287022.db2.gz AGUOYPZNHXMNQF-GOSISDBHSA-N 1 0 377.488 3.551 20 30 GHEDRO COC(=O)C1(c2ccc(Br)cc2)CCC([NH2+]CCCC#N)CC1 ZINC001172143720 905350537 /nfs/dbraw/zinc/35/05/37/905350537.db2.gz UMBDMUAFURBDNF-UHFFFAOYSA-N 1 0 379.298 3.696 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4C)cc(C#N)c21 ZINC001172118636 905374989 /nfs/dbraw/zinc/37/49/89/905374989.db2.gz SQQSDUKBWDXLQM-ZHHJKBAOSA-N 1 0 378.520 3.709 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCc3ccccc3OC2)c1C ZINC000801576328 921145095 /nfs/dbraw/zinc/14/50/95/921145095.db2.gz YOWDFZZBCLPSLL-FQEVSTJZSA-N 1 0 377.488 3.534 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001172309019 905465163 /nfs/dbraw/zinc/46/51/63/905465163.db2.gz QGNQCGHPRMVGJR-VCFYHUQZSA-N 1 0 391.515 3.723 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001172312616 905469194 /nfs/dbraw/zinc/46/91/94/905469194.db2.gz HSGRCXWLMQCCSO-CQSZACIVSA-N 1 0 389.425 3.557 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001172290895 905480548 /nfs/dbraw/zinc/48/05/48/905480548.db2.gz UGIJICALILKSAX-XLIONFOSSA-N 1 0 399.535 3.637 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)CCOCC(C)C)CC2 ZINC001172466299 905577405 /nfs/dbraw/zinc/57/74/05/905577405.db2.gz KKIPAPGXBKSQOL-SFHVURJKSA-N 1 0 375.557 3.805 20 30 GHEDRO COC(=O)c1ccc([C@H](C[NH2+][C@H](C)CCCC#N)NC(=O)OC(C)(C)C)cc1 ZINC001172491591 905596401 /nfs/dbraw/zinc/59/64/01/905596401.db2.gz OEPRKZLBSYJOMP-QAPCUYQASA-N 1 0 389.496 3.711 20 30 GHEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001172505674 905601922 /nfs/dbraw/zinc/60/19/22/905601922.db2.gz RPEMZHHSPVBIJM-VQTJNVASSA-N 1 0 382.589 3.902 20 30 GHEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001172503787 905601964 /nfs/dbraw/zinc/60/19/64/905601964.db2.gz AXQKYPAAXZWACW-KNQAVFIVSA-N 1 0 379.589 3.719 20 30 GHEDRO CCCC[C@@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001172632614 905694425 /nfs/dbraw/zinc/69/44/25/905694425.db2.gz IQMUWOOFBVCXAP-QZTJIDSGSA-N 1 0 378.561 3.522 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)CC1 ZINC001172800614 905873882 /nfs/dbraw/zinc/87/38/82/905873882.db2.gz ZGVVDFISGFQUJA-MSOLQXFVSA-N 1 0 386.492 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)C[C@H]1C#N ZINC001172970641 906033779 /nfs/dbraw/zinc/03/37/79/906033779.db2.gz ISVUHBPZVDZVJK-HKBOAZHASA-N 1 0 398.551 3.705 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)ccc1F ZINC001172977354 906041747 /nfs/dbraw/zinc/04/17/47/906041747.db2.gz BFNYLRJTAJVLOC-BPUTZDHNSA-N 1 0 377.460 3.777 20 30 GHEDRO COc1ccc(CC2(C[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CC2)cc1 ZINC001172977325 906042787 /nfs/dbraw/zinc/04/27/87/906042787.db2.gz FBQPVGJQRQLOAX-OALUTQOASA-N 1 0 399.535 3.899 20 30 GHEDRO CCCCCCCCN(CC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172983840 906049873 /nfs/dbraw/zinc/04/98/73/906049873.db2.gz KDJOTPVBWBILCZ-MOPGFXCFSA-N 1 0 380.577 3.899 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](OCc3ccccc3)C2)C[C@H]1C#N ZINC001172986779 906051274 /nfs/dbraw/zinc/05/12/74/906051274.db2.gz YIFLJRIHNIAJJC-HSALFYBXSA-N 1 0 385.508 3.569 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(c3cccc(O)c3)CC2)C[C@H]1C#N ZINC001172990149 906054176 /nfs/dbraw/zinc/05/41/76/906054176.db2.gz MNYCAVJHAUVKAM-OALUTQOASA-N 1 0 385.508 3.863 20 30 GHEDRO COc1cc(/C=C/C(=O)Nc2cc(C[NH+](C)C)ccc2C)ccc1OCC#N ZINC000177346000 906111974 /nfs/dbraw/zinc/11/19/74/906111974.db2.gz LEFMKFQBKJMWJY-CSKARUKUSA-N 1 0 379.460 3.620 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CCC4(CCOCC4)CC3)C2)C1 ZINC001173043579 906113937 /nfs/dbraw/zinc/11/39/37/906113937.db2.gz OEXWPJCGWVKEFF-QFIPXVFZSA-N 1 0 376.541 3.836 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1C#N ZINC000190771977 906305969 /nfs/dbraw/zinc/30/59/69/906305969.db2.gz OPMMFZWLWZFAOF-NRFANRHFSA-N 1 0 376.529 3.847 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234023 906321103 /nfs/dbraw/zinc/32/11/03/906321103.db2.gz OCVPBJKZOXIVNG-INIZCTEOSA-N 1 0 395.459 3.949 20 30 GHEDRO CCc1ccc(C[C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173240821 906353764 /nfs/dbraw/zinc/35/37/64/906353764.db2.gz JMSVTCXNSXWXJF-GOSISDBHSA-N 1 0 375.516 3.946 20 30 GHEDRO C=CCOC1CCC([NH2+][C@H]2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173311671 906364051 /nfs/dbraw/zinc/36/40/51/906364051.db2.gz NQZANKJGVXURGA-HKDCCESQSA-N 1 0 394.556 3.648 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC1 ZINC001173321153 906370541 /nfs/dbraw/zinc/37/05/41/906370541.db2.gz YBZWOHUCRKGJRI-XPJNUEMQSA-N 1 0 397.519 3.750 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CC1 ZINC001173320864 906371157 /nfs/dbraw/zinc/37/11/57/906371157.db2.gz FNGCUOSDEHXUDQ-UEWYOLLUSA-N 1 0 390.499 3.737 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](C[NH2+]C3CCC(CC#N)CC3)CO2)C1 ZINC001173325582 906373577 /nfs/dbraw/zinc/37/35/77/906373577.db2.gz KXCZJHMRUJIDEA-HKDCCESQSA-N 1 0 391.556 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@@H+](C1CCC(CC#N)CC1)CCO2 ZINC001173330865 906375704 /nfs/dbraw/zinc/37/57/04/906375704.db2.gz GJVWVQLCEHNNOU-WIXQSORDSA-N 1 0 377.529 3.561 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)S)C[C@@H]1C(=O)OC(C)(C)C ZINC001173371494 906403329 /nfs/dbraw/zinc/40/33/29/906403329.db2.gz FWELHBYWWGQYFN-KFWWJZLASA-N 1 0 387.586 3.753 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1)c1cccc(C#N)c1 ZINC001173401369 906428033 /nfs/dbraw/zinc/42/80/33/906428033.db2.gz DZWWNNFUDNSUMR-JOCHJYFZSA-N 1 0 377.488 3.912 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCSCc3ccc(F)cc3)CC2)cc1 ZINC001173423252 906458492 /nfs/dbraw/zinc/45/84/92/906458492.db2.gz HOLCYHJGHUQLPK-UHFFFAOYSA-N 1 0 397.519 3.825 20 30 GHEDRO Cc1cccc2c(CC[NH3+])cn(C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c21 ZINC001173423831 906460127 /nfs/dbraw/zinc/46/01/27/906460127.db2.gz NYRVQOVWSRMNMU-UHFFFAOYSA-N 1 0 386.499 3.800 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(NC(=[NH2+])c3cccc4ccccc43)CC2)cc1 ZINC001173424440 906460277 /nfs/dbraw/zinc/46/02/77/906460277.db2.gz GTGSVISQXMMSSL-UHFFFAOYSA-N 1 0 382.467 3.931 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH+]3CCC(Oc4ccccc4)CC3)CC2)cc1 ZINC001173429200 906466818 /nfs/dbraw/zinc/46/68/18/906466818.db2.gz SOADOQPCTUNWBN-UHFFFAOYSA-N 1 0 389.499 3.706 20 30 GHEDRO COC(=O)CCCC[C@@H](C)[NH2+][C@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001173446199 906485808 /nfs/dbraw/zinc/48/58/08/906485808.db2.gz UOMLZMASLVKYIO-HZPDHXFCSA-N 1 0 383.492 3.816 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)CCO2 ZINC001173589033 906546492 /nfs/dbraw/zinc/54/64/92/906546492.db2.gz RMMPISWBSKPAMS-IDYZSHNDSA-N 1 0 391.556 3.997 20 30 GHEDRO CC1(C#N)CCC([NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC001173597964 906550452 /nfs/dbraw/zinc/55/04/52/906550452.db2.gz KJMVPOOJWRTYOV-UHFFFAOYSA-N 1 0 390.325 3.679 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179768983 906591917 /nfs/dbraw/zinc/59/19/17/906591917.db2.gz IRNRISJNXTXPPN-ZDUSSCGKSA-N 1 0 396.878 3.849 20 30 GHEDRO CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)C1 ZINC001173659094 906595165 /nfs/dbraw/zinc/59/51/65/906595165.db2.gz TXHWBGTZHMITEB-FUHWJXTLSA-N 1 0 386.492 3.532 20 30 GHEDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180222911 906719275 /nfs/dbraw/zinc/71/92/75/906719275.db2.gz HNSZVTUKUWBCKB-QFIPXVFZSA-N 1 0 390.487 3.569 20 30 GHEDRO CC(C)N(C)c1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000191200760 906735732 /nfs/dbraw/zinc/73/57/32/906735732.db2.gz AKECIIPWQHTGQZ-UHFFFAOYSA-N 1 0 377.536 3.506 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)cc1 ZINC000180333714 906751205 /nfs/dbraw/zinc/75/12/05/906751205.db2.gz ODYVQWWBAMJVNT-UHFFFAOYSA-N 1 0 390.512 3.808 20 30 GHEDRO CCC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1Cl ZINC000180867687 906865032 /nfs/dbraw/zinc/86/50/32/906865032.db2.gz QGHGLXVAPNSPDQ-DVEDPGPFSA-N 1 0 382.291 3.951 20 30 GHEDRO N#CC1(c2ccc(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2)CC1 ZINC000181494779 907013410 /nfs/dbraw/zinc/01/34/10/907013410.db2.gz WJMAEQLQGKDHFR-KRWDZBQOSA-N 1 0 379.529 3.945 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCc3ccc4c(c3)OC(F)(F)O4)CCOCC2)c1 ZINC001174660442 907155384 /nfs/dbraw/zinc/15/53/84/907155384.db2.gz GVIIOVDGSYJKHZ-UHFFFAOYSA-N 1 0 386.398 3.718 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC001174715995 907170911 /nfs/dbraw/zinc/17/09/11/907170911.db2.gz ODIJTCXPRKCFIC-KRWDZBQOSA-N 1 0 380.467 3.735 20 30 GHEDRO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(OCC#N)cc1 ZINC000183082351 907324880 /nfs/dbraw/zinc/32/48/80/907324880.db2.gz ZEJFQRBFESVXJQ-GOSISDBHSA-N 1 0 379.504 3.966 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(F)cc(C(F)(F)F)c3)C2=O)cc1 ZINC000192244108 907556790 /nfs/dbraw/zinc/55/67/90/907556790.db2.gz HXSXLJSQQMPYAP-GOSISDBHSA-N 1 0 391.368 3.607 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC001175982730 907850507 /nfs/dbraw/zinc/85/05/07/907850507.db2.gz KLAJZUXXICGEAS-PGRDOPGGSA-N 1 0 385.508 3.516 20 30 GHEDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001176467448 908123964 /nfs/dbraw/zinc/12/39/64/908123964.db2.gz PQGJGWVVACDFCI-ZDUSSCGKSA-N 1 0 398.322 3.800 20 30 GHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccoc1C ZINC000188230599 908191125 /nfs/dbraw/zinc/19/11/25/908191125.db2.gz BCCOPUOAZWHMIL-UHFFFAOYSA-N 1 0 389.569 3.541 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)OCC[C@H]3C)sc2C1 ZINC001176971932 908338605 /nfs/dbraw/zinc/33/86/05/908338605.db2.gz VSIKIEHAYVJLSV-RBSFLKMASA-N 1 0 375.538 3.572 20 30 GHEDRO C[C@]12CN(C(=O)C(F)(F)c3ccccc3C#N)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001177215878 908469597 /nfs/dbraw/zinc/46/95/97/908469597.db2.gz GZKNSBZFWLLMIJ-KNQAVFIVSA-N 1 0 395.453 3.631 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000773635242 908516377 /nfs/dbraw/zinc/51/63/77/908516377.db2.gz LQQNWQCZSVDHJY-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(OCC#N)cc1 ZINC000191835413 908683096 /nfs/dbraw/zinc/68/30/96/908683096.db2.gz WHDSIYAKFRRKGR-WMZHIEFXSA-N 1 0 379.504 3.531 20 30 GHEDRO O=C(C#Cc1ccccn1)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001177801913 908763238 /nfs/dbraw/zinc/76/32/38/908763238.db2.gz NVGBDEWOQMILTG-VWLOTQADSA-N 1 0 395.506 3.736 20 30 GHEDRO C[NH+](C)Cc1ccc(CNc2ccc(OCC#N)cc2)c2c1OC(F)(F)O2 ZINC001177889158 908783836 /nfs/dbraw/zinc/78/38/36/908783836.db2.gz CKKOTSZOFQXPSO-UHFFFAOYSA-N 1 0 375.375 3.584 20 30 GHEDRO N#C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001177908046 908794718 /nfs/dbraw/zinc/79/47/18/908794718.db2.gz HPJGWYKOSCEOJK-SBHAEUEKSA-N 1 0 379.529 3.553 20 30 GHEDRO CC(C)Oc1cccc([C@H](O)C[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001177880928 908809771 /nfs/dbraw/zinc/80/97/71/908809771.db2.gz VVEARSADMAALEW-LJQANCHMSA-N 1 0 389.293 3.931 20 30 GHEDRO COc1cc(-c2noc(CCCCC[NH2+][C@H]3CCC[C@@H](C#N)C3)n2)ccc1O ZINC000192996318 908839146 /nfs/dbraw/zinc/83/91/46/908839146.db2.gz PRXIWTVUJDWRNQ-WBVHZDCISA-N 1 0 384.480 3.836 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193134592 908852237 /nfs/dbraw/zinc/85/22/37/908852237.db2.gz GNLGXUMPSAXUQQ-UHFFFAOYSA-N 1 0 383.879 3.524 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)CCCc1ccnc(-c2cc(C)ccn2)c1 ZINC001178282867 908984561 /nfs/dbraw/zinc/98/45/61/908984561.db2.gz RONXQNGOIQYSPE-FQEVSTJZSA-N 1 0 378.520 3.541 20 30 GHEDRO NC(=NOCc1cc(-c2ccco2)on1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000195705900 909035354 /nfs/dbraw/zinc/03/53/54/909035354.db2.gz ZZKZHFISMAQPEP-UHFFFAOYSA-N 1 0 380.448 3.758 20 30 GHEDRO COc1ccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000267590508 909558284 /nfs/dbraw/zinc/55/82/84/909558284.db2.gz ISFPXYUOXXCIMS-UHFFFAOYSA-N 1 0 391.512 3.771 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc1OC ZINC001179584422 909614422 /nfs/dbraw/zinc/61/44/22/909614422.db2.gz QHLQWPZGSGWSFC-SJORKVTESA-N 1 0 382.957 3.583 20 30 GHEDRO COc1ccc(Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cn2)cc1 ZINC000267944451 909703198 /nfs/dbraw/zinc/70/31/98/909703198.db2.gz RJNSTCFUZVTBTD-UHFFFAOYSA-N 1 0 397.479 3.582 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000245544336 909718611 /nfs/dbraw/zinc/71/86/11/909718611.db2.gz SAAQSHPQFDLMSL-DOTOQJQBSA-N 1 0 398.894 3.877 20 30 GHEDRO COc1ccc(OC)c(CN2CC[NH+](Cc3c(C)cc(C#N)cc3C)CC2)c1 ZINC001180086436 909939734 /nfs/dbraw/zinc/93/97/34/909939734.db2.gz INKBORDJCKZQHB-UHFFFAOYSA-N 1 0 379.504 3.510 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC000245975577 910031571 /nfs/dbraw/zinc/03/15/71/910031571.db2.gz GCNBDJRJTSTFKG-NHCUHLMSSA-N 1 0 378.497 3.889 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(C)c1 ZINC000269696206 910336655 /nfs/dbraw/zinc/33/66/55/910336655.db2.gz KXHPUSWUBLAYGS-UHFFFAOYSA-O 1 0 379.596 3.852 20 30 GHEDRO COc1ccc(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)cc1OCCCC#N ZINC000269764532 910349101 /nfs/dbraw/zinc/34/91/01/910349101.db2.gz DKGBTALGZSKKQZ-JOCHJYFZSA-N 1 0 380.488 3.981 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC001180848173 910394066 /nfs/dbraw/zinc/39/40/66/910394066.db2.gz GONPEIYPRQNNGF-OOMBGRCJSA-N 1 0 377.557 3.818 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)CC1 ZINC000270055524 910420872 /nfs/dbraw/zinc/42/08/72/910420872.db2.gz DEMJWMQOBHIEJP-IBGZPJMESA-N 1 0 393.487 3.534 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000270199359 910477820 /nfs/dbraw/zinc/47/78/20/910477820.db2.gz JBPVXJDRJVIEKB-WOJBJXKFSA-N 1 0 382.508 3.640 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccccc2)c(C)s1 ZINC000270467866 910578812 /nfs/dbraw/zinc/57/88/12/910578812.db2.gz YMCLOBBNMJHBEO-INIZCTEOSA-O 1 0 389.566 3.750 20 30 GHEDRO COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000271059457 910770639 /nfs/dbraw/zinc/77/06/39/910770639.db2.gz FTYOVJGFBICVEI-STDCAVTESA-N 1 0 380.488 3.731 20 30 GHEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000271169617 910802389 /nfs/dbraw/zinc/80/23/89/910802389.db2.gz LORPMQDZOOSERH-LJQANCHMSA-N 1 0 387.524 3.506 20 30 GHEDRO C=CCC1(C[NH2+]C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CCCC1 ZINC001181753761 910957806 /nfs/dbraw/zinc/95/78/06/910957806.db2.gz RZWIZKLJFRCKRW-UHFFFAOYSA-N 1 0 392.565 3.574 20 30 GHEDRO COC(=O)c1oc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C ZINC000271639666 910997182 /nfs/dbraw/zinc/99/71/82/910997182.db2.gz QYLSDQNAFCELLT-HNNXBMFYSA-N 1 0 395.459 3.658 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000247213808 911042878 /nfs/dbraw/zinc/04/28/78/911042878.db2.gz XDRKWEQNNLPUGB-ICSRJNTNSA-N 1 0 397.592 3.949 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCC(O)(c4ccccc4)CC3)CC2)cc1 ZINC000274042131 911198490 /nfs/dbraw/zinc/19/84/90/911198490.db2.gz RKEKOKBRMKSKCX-UHFFFAOYSA-N 1 0 389.543 3.943 20 30 GHEDRO C#C[C@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001182160040 911215693 /nfs/dbraw/zinc/21/56/93/911215693.db2.gz DYMCHZNJWVUMDO-IBGZPJMESA-N 1 0 391.943 3.593 20 30 GHEDRO N#Cc1cccc(CCC(=O)N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])c1 ZINC001182342727 911514185 /nfs/dbraw/zinc/51/41/85/911514185.db2.gz JLZCBYBUCKLSGH-HDLCADABSA-N 1 0 393.490 3.594 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)c(F)cc2F)C(=S)NC2(C)CC2)cc1 ZINC000283973423 911708523 /nfs/dbraw/zinc/70/85/23/911708523.db2.gz GKXHUTJFBISKMN-UHFFFAOYSA-O 1 0 375.464 3.950 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1OC ZINC000283989260 911714125 /nfs/dbraw/zinc/71/41/25/911714125.db2.gz LWSOQUUITWXTRV-MRXNPFEDSA-N 1 0 389.517 3.904 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(F)c(C)cc2F)C(=S)NC2(C)CC2)cc1 ZINC000284019638 911722651 /nfs/dbraw/zinc/72/26/51/911722651.db2.gz HZLOGFJKAMDPQS-UHFFFAOYSA-O 1 0 375.464 3.950 20 30 GHEDRO CCN1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801958125 921686960 /nfs/dbraw/zinc/68/69/60/921686960.db2.gz XKSHRULLUJEEQG-PWRODBHTSA-N 1 0 387.886 3.809 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774480477 911785565 /nfs/dbraw/zinc/78/55/65/911785565.db2.gz CERHDRALIWBSAE-MSOLQXFVSA-N 1 0 394.519 3.747 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000092784095 911806045 /nfs/dbraw/zinc/80/60/45/911806045.db2.gz LWNWOMMVQXULLW-OAQYLSRUSA-N 1 0 390.531 3.678 20 30 GHEDRO C[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)c1ccc(C#N)cc1 ZINC001182791710 912024144 /nfs/dbraw/zinc/02/41/44/912024144.db2.gz MRTVQTPHFXMTAK-LJQANCHMSA-N 1 0 388.515 3.571 20 30 GHEDRO CC#CCCCCCCCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001182768655 912038116 /nfs/dbraw/zinc/03/81/16/912038116.db2.gz HTKXXQYKLFRLPU-DHIUTWEWSA-N 1 0 397.563 3.637 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(C)c3Br)CC2)C1=O ZINC001275006623 912108094 /nfs/dbraw/zinc/10/80/94/912108094.db2.gz XUYYENKBIXAZRA-HXUWFJFHSA-N 1 0 389.337 3.595 20 30 GHEDRO CC[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014948 912148586 /nfs/dbraw/zinc/14/85/86/912148586.db2.gz QQERQPLFXIVMCW-ORAYPTAESA-N 1 0 394.972 3.858 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000285163660 912190854 /nfs/dbraw/zinc/19/08/54/912190854.db2.gz YNEBZNPJWJCWGP-UHFFFAOYSA-N 1 0 398.894 3.536 20 30 GHEDRO N#Cc1cnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(Br)c1 ZINC001186916729 914899957 /nfs/dbraw/zinc/89/99/57/914899957.db2.gz HYEVIKCKYRDXFX-UHFFFAOYSA-N 1 0 399.292 3.954 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802010984 921751712 /nfs/dbraw/zinc/75/17/12/921751712.db2.gz KWYABQZDLKEELK-AVRDEDQJSA-N 1 0 393.572 3.523 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCCN(C)CC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000303878956 915238440 /nfs/dbraw/zinc/23/84/40/915238440.db2.gz GGLNYOVXKVVREW-JTQLQIEISA-N 1 0 385.261 3.843 20 30 GHEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N(C)C)cc1 ZINC000303888167 915297971 /nfs/dbraw/zinc/29/79/71/915297971.db2.gz OSJIWOHBCCUYTL-QGZVFWFLSA-N 1 0 380.414 3.923 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1ccnc(-n2cccn2)c1)c1ccc(Cl)cc1Cl ZINC000303887463 915297999 /nfs/dbraw/zinc/29/79/99/915297999.db2.gz KWNMDALMCWJVRC-LBPRGKRZSA-N 1 0 389.290 3.740 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2ccc(OC(F)(F)F)cc2)c1 ZINC000303895734 915301074 /nfs/dbraw/zinc/30/10/74/915301074.db2.gz PNUYZBZLAKTZQQ-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(Br)c(F)c2)cc1OC ZINC000303903135 915305539 /nfs/dbraw/zinc/30/55/39/915305539.db2.gz YFXALYKGJAWMRE-UHFFFAOYSA-N 1 0 382.233 3.532 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCOc2cccc(Br)c2)cc1Cl ZINC000303902270 915305819 /nfs/dbraw/zinc/30/58/19/915305819.db2.gz XTLNXBCDMZEHSW-UHFFFAOYSA-N 1 0 398.688 3.917 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(OCC3CC3)nc2)c1 ZINC000303902067 915305974 /nfs/dbraw/zinc/30/59/74/915305974.db2.gz XPRPZEGTIPYXBS-UHFFFAOYSA-N 1 0 384.480 3.595 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000291740722 915342821 /nfs/dbraw/zinc/34/28/21/915342821.db2.gz OVMAVMSDFAFERW-ZHRRBRCNSA-N 1 0 381.545 3.876 20 30 GHEDRO [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000303982569 915348494 /nfs/dbraw/zinc/34/84/94/915348494.db2.gz QIOSHALJVSKVMN-NRFANRHFSA-N 1 0 398.938 3.629 20 30 GHEDRO [NH2+]=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000303988498 915349811 /nfs/dbraw/zinc/34/98/11/915349811.db2.gz WRBGCADIQCEUFK-NRFANRHFSA-N 1 0 398.938 3.629 20 30 GHEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000366844296 921775512 /nfs/dbraw/zinc/77/55/12/921775512.db2.gz IOWFBGSVVLZIPP-UHFFFAOYSA-N 1 0 399.583 3.875 20 30 GHEDRO [NH2+]=C(NCc1cc(F)ccc1Br)N[C@H]1CCOc2ccccc21 ZINC000304476150 915517050 /nfs/dbraw/zinc/51/70/50/915517050.db2.gz HOHZLBSGKGPHFA-HNNXBMFYSA-N 1 0 378.245 3.516 20 30 GHEDRO [NH2+]=C(NCc1ccccc1OCC(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000304483693 915525171 /nfs/dbraw/zinc/52/51/71/915525171.db2.gz JGJDPLJSAHNRFS-OAHLLOKOSA-N 1 0 379.382 3.556 20 30 GHEDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)cn2)C[C@@H](C)O1 ZINC000304654020 915587201 /nfs/dbraw/zinc/58/72/01/915587201.db2.gz HRDDEPGBTHRWRY-IAGOWNOFSA-N 1 0 393.535 3.501 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](O)c2ccccc2Cl)c1 ZINC000304744598 915668742 /nfs/dbraw/zinc/66/87/42/915668742.db2.gz DRWWIRVJZODZMR-KRWDZBQOSA-N 1 0 377.872 3.598 20 30 GHEDRO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1ccccc1 ZINC000304737991 915669066 /nfs/dbraw/zinc/66/90/66/915669066.db2.gz AOXNKOKOMNBGRY-CQSZACIVSA-N 1 0 380.414 3.832 20 30 GHEDRO COc1cccc([C@@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304757231 915672708 /nfs/dbraw/zinc/67/27/08/915672708.db2.gz OPCSHVHEWPZOBR-NRFANRHFSA-N 1 0 377.444 3.948 20 30 GHEDRO CCN(CC)c1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc1F ZINC000304759131 915674283 /nfs/dbraw/zinc/67/42/83/915674283.db2.gz QUSGJBBMEHMBKU-UHFFFAOYSA-N 1 0 386.471 3.760 20 30 GHEDRO COc1cccc(C2(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)CCCC2)c1 ZINC000304760653 915698613 /nfs/dbraw/zinc/69/86/13/915698613.db2.gz STRUOKLHSLPQIR-FQEVSTJZSA-N 1 0 379.504 3.935 20 30 GHEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccc(F)cc2)nc2ccccc2c1=O ZINC001188169588 915790857 /nfs/dbraw/zinc/79/08/57/915790857.db2.gz KMJAEUOYKWQSCE-UHFFFAOYSA-N 1 0 383.492 3.946 20 30 GHEDRO N#Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cnc1C(F)(F)F ZINC000292693194 915801738 /nfs/dbraw/zinc/80/17/38/915801738.db2.gz GDKMBKIGFWXWTJ-CQSZACIVSA-N 1 0 394.422 3.600 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000304984582 915817670 /nfs/dbraw/zinc/81/76/70/915817670.db2.gz ASTRJWIXNAFRRE-QGZVFWFLSA-N 1 0 382.508 3.519 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)C1 ZINC000292745064 915823462 /nfs/dbraw/zinc/82/34/62/915823462.db2.gz WHIFJOIYIYDHPN-QFIPXVFZSA-N 1 0 376.460 3.910 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+](Cc2cncs2)C2CCN(C(C)=O)CC2)cc1 ZINC000292824705 915863215 /nfs/dbraw/zinc/86/32/15/915863215.db2.gz QKGVMHAOHOZCGP-UHFFFAOYSA-N 1 0 397.544 3.558 20 30 GHEDRO COc1cc(CN2CCC(C)(C#N)CC2)cc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000292849570 915872850 /nfs/dbraw/zinc/87/28/50/915872850.db2.gz FXDGCMFCXSXAIN-UHFFFAOYSA-N 1 0 380.536 3.947 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC001188934091 916296267 /nfs/dbraw/zinc/29/62/67/916296267.db2.gz KZKHNIUBLSUBHJ-UHFFFAOYSA-N 1 0 378.520 3.663 20 30 GHEDRO C[N@H+](Cc1cccc(Br)c1OCC(C)(C)O)[C@@H]1CC[C@H](C#N)C1 ZINC000294682948 916931602 /nfs/dbraw/zinc/93/16/02/916931602.db2.gz SQFFXJVEUUSDAI-DZGCQCFKSA-N 1 0 381.314 3.723 20 30 GHEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC001190135705 917120916 /nfs/dbraw/zinc/12/09/16/917120916.db2.gz JGVXUFBPTFJHJX-MRXNPFEDSA-N 1 0 397.953 3.635 20 30 GHEDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001190339453 917270575 /nfs/dbraw/zinc/27/05/75/917270575.db2.gz GVMOLUSFKFGFFS-RBSFLKMASA-N 1 0 375.538 3.572 20 30 GHEDRO Cn1c(CC#N)nnc1SC[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000295471290 917321923 /nfs/dbraw/zinc/32/19/23/917321923.db2.gz YAJZMDKIVAPZQW-HXUWFJFHSA-N 1 0 391.544 3.889 20 30 GHEDRO CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccccc1 ZINC000775386803 917328528 /nfs/dbraw/zinc/32/85/28/917328528.db2.gz GZUISOPEPNGBAA-QHCPKHFHSA-N 1 0 396.535 3.867 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000796466785 917561690 /nfs/dbraw/zinc/56/16/90/917561690.db2.gz PAKIEVZHADCZOZ-NRFANRHFSA-N 1 0 393.487 3.727 20 30 GHEDRO Cc1c(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cnn1C(C)(C)C ZINC001190841962 917595344 /nfs/dbraw/zinc/59/53/44/917595344.db2.gz YRORYMVOTFIUAX-MXVIHJGJSA-N 1 0 393.535 3.731 20 30 GHEDRO CCCCCCCCNC(=O)N1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001191061355 917733273 /nfs/dbraw/zinc/73/32/73/917733273.db2.gz PCPOTMGADRPRHM-UHFFFAOYSA-N 1 0 389.588 3.797 20 30 GHEDRO C#Cc1ccccc1C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)cc1 ZINC001191120203 917766283 /nfs/dbraw/zinc/76/62/83/917766283.db2.gz OTBXXVJISMNGEF-NRFANRHFSA-N 1 0 376.500 3.803 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cc(F)c(Cl)cc2Cl)n[nH]1 ZINC001191276651 917889298 /nfs/dbraw/zinc/88/92/98/917889298.db2.gz HZZYCELNIPRBFC-NSHDSACASA-N 1 0 397.281 3.903 20 30 GHEDRO N#CC1(NC(=O)c2c[nH]cc2-c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001191787051 918218668 /nfs/dbraw/zinc/21/86/68/918218668.db2.gz QUPZZEDQNDQRMB-UHFFFAOYSA-N 1 0 384.483 3.970 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC001191936978 918308774 /nfs/dbraw/zinc/30/87/74/918308774.db2.gz OQNRZZMLNNQDCN-RBUKOAKNSA-N 1 0 395.453 3.821 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000653640493 918375208 /nfs/dbraw/zinc/37/52/08/918375208.db2.gz NYISVCKFNQYLDO-PMACEKPBSA-N 1 0 391.922 3.960 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC001192202308 918494063 /nfs/dbraw/zinc/49/40/63/918494063.db2.gz ZRQSGNQPGFAGRB-SFTDATJTSA-N 1 0 380.488 3.958 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001192256268 918541043 /nfs/dbraw/zinc/54/10/43/918541043.db2.gz OLVHWFPJSBAPAZ-SFTDATJTSA-N 1 0 389.499 3.551 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000653952123 918623181 /nfs/dbraw/zinc/62/31/81/918623181.db2.gz GBRDWJBFBOZSLD-NHCUHLMSSA-N 1 0 396.535 3.639 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113901699 919382362 /nfs/dbraw/zinc/38/23/62/919382362.db2.gz DEBPSVZNSVKHCB-HKUYNNGSSA-N 1 0 394.519 3.977 20 30 GHEDRO COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)c1 ZINC001275909767 919499288 /nfs/dbraw/zinc/49/92/88/919499288.db2.gz VGRNLRIMBFJQAQ-FQEVSTJZSA-N 1 0 375.900 3.609 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(Oc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000279452144 919549658 /nfs/dbraw/zinc/54/96/58/919549658.db2.gz STMOADSDXRIFNB-UHFFFAOYSA-N 1 0 387.487 3.902 20 30 GHEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000118818640 919597970 /nfs/dbraw/zinc/59/79/70/919597970.db2.gz MAHJHOWYZRRBLH-SFHVURJKSA-N 1 0 396.466 3.692 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](C/C(Br)=C/c3ccccc3)C2)C1=O ZINC001276373643 919601506 /nfs/dbraw/zinc/60/15/06/919601506.db2.gz HOGCMNFRJOEGHU-LYDJUCFBSA-N 1 0 375.310 3.533 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1 ZINC000119754519 919649911 /nfs/dbraw/zinc/64/99/11/919649911.db2.gz WNZWXFRWGGSOPK-UHFFFAOYSA-N 1 0 379.467 3.814 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000364724019 919907891 /nfs/dbraw/zinc/90/78/91/919907891.db2.gz PMJDYTZOHQAOHU-RXVVDRJESA-N 1 0 381.520 3.592 20 30 GHEDRO Oc1ccc(/C=N\[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(O)c1O ZINC000800790491 920464092 /nfs/dbraw/zinc/46/40/92/920464092.db2.gz MIQADAWZNUYBIX-REDUKGQOSA-N 1 0 388.467 3.891 20 30 GHEDRO CC(C)[NH+]1CCN(CCCC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000900631115 920471410 /nfs/dbraw/zinc/47/14/10/920471410.db2.gz VTQVYCSYTNFMHB-GOSISDBHSA-N 1 0 388.581 3.683 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cccc(Cl)c3Br)CC2)C1=O ZINC001275978831 920666678 /nfs/dbraw/zinc/66/66/78/920666678.db2.gz YZEPNRNNOHIMGH-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(CC#N)cc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000366921573 921818597 /nfs/dbraw/zinc/81/85/97/921818597.db2.gz JMCBZFCLXCMTNK-JOCHJYFZSA-N 1 0 399.498 3.957 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000367351901 922056747 /nfs/dbraw/zinc/05/67/47/922056747.db2.gz SAMPVZIAQRGBHL-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000367605675 922224417 /nfs/dbraw/zinc/22/44/17/922224417.db2.gz GLNMDBPEWGKCJL-QHCPKHFHSA-N 1 0 390.462 3.696 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1cccc(C#N)c1 ZINC000902774345 922488940 /nfs/dbraw/zinc/48/89/40/922488940.db2.gz FHCGQQDMTYUCNC-JOCHJYFZSA-N 1 0 379.504 3.510 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1cccc(C#N)c1 ZINC000902783618 922491008 /nfs/dbraw/zinc/49/10/08/922491008.db2.gz GQVUDVLNQCXLJJ-QFIPXVFZSA-N 1 0 391.515 3.841 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902786888 922498052 /nfs/dbraw/zinc/49/80/52/922498052.db2.gz ULXMBDZGJTXVJN-SJORKVTESA-N 1 0 377.492 3.621 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000368283770 922571421 /nfs/dbraw/zinc/57/14/21/922571421.db2.gz YQUDVYFXICVNIZ-LJQANCHMSA-N 1 0 378.495 3.782 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902877526 922574433 /nfs/dbraw/zinc/57/44/33/922574433.db2.gz UZWIUOGSHRZYKT-SJORKVTESA-N 1 0 380.492 3.660 20 30 GHEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903011374 922708612 /nfs/dbraw/zinc/70/86/12/922708612.db2.gz DORSEPKTWINPLF-GOEBONIOSA-N 1 0 388.309 3.526 20 30 GHEDRO COCC[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000368653623 922794865 /nfs/dbraw/zinc/79/48/65/922794865.db2.gz URUSRISAEGNLHK-OAHLLOKOSA-N 1 0 375.538 3.576 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Cl)c1 ZINC000903160802 922820679 /nfs/dbraw/zinc/82/06/79/922820679.db2.gz OGKBJAFMGFWFNP-HXUWFJFHSA-N 1 0 393.936 3.903 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2Br)cc1C#N ZINC000749116727 924029775 /nfs/dbraw/zinc/02/97/75/924029775.db2.gz LEPLUOTYLXXCGH-CYBMUJFWSA-N 1 0 375.266 3.886 20 30 GHEDRO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000370565635 924175667 /nfs/dbraw/zinc/17/56/67/924175667.db2.gz MLMSYWCHZNTYCV-HNNXBMFYSA-N 1 0 385.895 3.826 20 30 GHEDRO N#CC1(NC(=O)c2cc(F)cc3cccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000371533231 924640468 /nfs/dbraw/zinc/64/04/68/924640468.db2.gz FIVBWVDNTIDJFL-UHFFFAOYSA-N 1 0 388.446 3.662 20 30 GHEDRO C=CCc1cc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(OC)c1O ZINC000678345978 924736692 /nfs/dbraw/zinc/73/66/92/924736692.db2.gz XEPNTLKDYOSVLT-UHFFFAOYSA-N 1 0 382.504 3.698 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000371770971 924840444 /nfs/dbraw/zinc/84/04/44/924840444.db2.gz ZPQGDMSRUDQXLP-ZWKOTPCHSA-N 1 0 386.565 3.580 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)CSc1ccc(C#N)cc1 ZINC000409720405 924918027 /nfs/dbraw/zinc/91/80/27/924918027.db2.gz CYWBZPXVECSJKP-UHFFFAOYSA-N 1 0 381.545 3.673 20 30 GHEDRO COc1ccccc1C[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000409790737 925008023 /nfs/dbraw/zinc/00/80/23/925008023.db2.gz IWILCPUZVQIVDF-LJQANCHMSA-N 1 0 393.531 3.726 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000372366157 925365662 /nfs/dbraw/zinc/36/56/62/925365662.db2.gz LTWZAGKJCOZAFU-UHFFFAOYSA-N 1 0 386.883 3.856 20 30 GHEDRO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000410370609 925581842 /nfs/dbraw/zinc/58/18/42/925581842.db2.gz IBIACVPEAZVKQR-KRWDZBQOSA-N 1 0 399.922 3.878 20 30 GHEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1=O ZINC000410420278 925634877 /nfs/dbraw/zinc/63/48/77/925634877.db2.gz OOHWSZWTWYVARZ-DYESRHJHSA-N 1 0 377.488 3.719 20 30 GHEDRO CCn1nc2c(cc1=O)C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000373075298 925845150 /nfs/dbraw/zinc/84/51/50/925845150.db2.gz UWIMHENMFGVNAA-UHFFFAOYSA-N 1 0 398.510 3.521 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C#N)cc3)CCCC2)cc1OC ZINC000133069592 926050774 /nfs/dbraw/zinc/05/07/74/926050774.db2.gz JSILQHLHXORHCX-UHFFFAOYSA-N 1 0 379.460 3.617 20 30 GHEDRO N#CCSc1cccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373473072 926167022 /nfs/dbraw/zinc/16/70/22/926167022.db2.gz GSMQWKCRBJRDCZ-UHFFFAOYSA-N 1 0 397.466 3.837 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c1C#N ZINC000133435867 926260464 /nfs/dbraw/zinc/26/04/64/926260464.db2.gz HHONYBDGTZNRRL-LBPRGKRZSA-N 1 0 393.413 3.584 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)cc(O)cc3Cl)CC2)C1=O ZINC001276164739 926399088 /nfs/dbraw/zinc/39/90/88/926399088.db2.gz IGDBFKYQSZYELP-IBGZPJMESA-N 1 0 381.303 3.537 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000411465819 926416441 /nfs/dbraw/zinc/41/64/41/926416441.db2.gz XXHFJIJINQBFFW-JOCHJYFZSA-N 1 0 379.460 3.645 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC3(CCC3)CC2)c(OC)c1 ZINC000411873886 926864756 /nfs/dbraw/zinc/86/47/56/926864756.db2.gz YPXHHBCQFCGLJI-SFHVURJKSA-N 1 0 377.550 3.525 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(Cl)cc(OC)cc3Cl)C2)C1=O ZINC001276180568 926878229 /nfs/dbraw/zinc/87/82/29/926878229.db2.gz HHPLCVNLTKJCBQ-LJQANCHMSA-N 1 0 397.302 3.529 20 30 GHEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000411893240 926890266 /nfs/dbraw/zinc/89/02/66/926890266.db2.gz MUUZYKOFMVDADW-YOMUGFJLSA-N 1 0 395.528 3.921 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412069228 927068720 /nfs/dbraw/zinc/06/87/20/927068720.db2.gz NIMZUYIPMLUWLH-SFHVURJKSA-N 1 0 385.508 3.721 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412086203 927074098 /nfs/dbraw/zinc/07/40/98/927074098.db2.gz ZZMWMUILGRPSIH-ROUUACIJSA-N 1 0 391.556 3.551 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC000749844467 927308631 /nfs/dbraw/zinc/30/86/31/927308631.db2.gz KDLDLICCRAHMGJ-HAHDFKILSA-N 1 0 381.524 3.733 20 30 GHEDRO CCN1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374841597 927589499 /nfs/dbraw/zinc/58/94/99/927589499.db2.gz DVKINJSQZWDELG-UYAOXDASSA-N 1 0 395.469 3.929 20 30 GHEDRO CCC(CC)n1nc(C)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374878544 927644028 /nfs/dbraw/zinc/64/40/28/927644028.db2.gz IATPYKRVJPVWFS-UHFFFAOYSA-N 1 0 393.535 3.841 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)c1ccccc1 ZINC000750615280 927752545 /nfs/dbraw/zinc/75/25/45/927752545.db2.gz INOSICMBQWTHRH-JTHBVZDNSA-N 1 0 377.488 3.521 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412770198 927824039 /nfs/dbraw/zinc/82/40/39/927824039.db2.gz HATGFVSREWJKFZ-UHFFFAOYSA-N 1 0 396.556 3.722 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)o2)c1 ZINC000750834727 927883426 /nfs/dbraw/zinc/88/34/26/927883426.db2.gz BVPUFFJSELTVQE-SJORKVTESA-N 1 0 380.473 3.758 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000750837199 927884218 /nfs/dbraw/zinc/88/42/18/927884218.db2.gz NHXRPWYJRSBLCU-PMACEKPBSA-N 1 0 397.544 3.604 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000375266923 928105372 /nfs/dbraw/zinc/10/53/72/928105372.db2.gz GZCDQLNRWNFHFT-KNXBSLHKSA-N 1 0 376.504 3.712 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000413033888 928123705 /nfs/dbraw/zinc/12/37/05/928123705.db2.gz NAFPBNXYXMNOSZ-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000751559030 928249583 /nfs/dbraw/zinc/24/95/83/928249583.db2.gz NGQMJHVACWSIEA-FCHUYYIVSA-N 1 0 377.488 3.865 20 30 GHEDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000543839358 928486519 /nfs/dbraw/zinc/48/65/19/928486519.db2.gz LWCUJIOBCWSQRL-DNVCBOLYSA-N 1 0 383.517 3.509 20 30 GHEDRO CCCCO[C@H]1C[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)C1(C)C ZINC000751940209 928496832 /nfs/dbraw/zinc/49/68/32/928496832.db2.gz AFYPDMDYMLFLTL-PMACEKPBSA-N 1 0 381.524 3.998 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C#N ZINC000752301118 928739641 /nfs/dbraw/zinc/73/96/41/928739641.db2.gz SVJMTDQQJFLVET-GJZGRUSLSA-N 1 0 387.484 3.511 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000752355655 928791504 /nfs/dbraw/zinc/79/15/04/928791504.db2.gz QLUGFBIWDLNUMD-OAHLLOKOSA-N 1 0 388.393 3.888 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1C#N ZINC000544187871 928908096 /nfs/dbraw/zinc/90/80/96/928908096.db2.gz JAIKOFMDUSPVLB-QGZVFWFLSA-N 1 0 382.508 3.924 20 30 GHEDRO CC[C@@H](CO)[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccccc1 ZINC000544405180 929137963 /nfs/dbraw/zinc/13/79/63/929137963.db2.gz WMTKSUOHBBJIIL-QFIPXVFZSA-N 1 0 393.531 3.823 20 30 GHEDRO COc1ccccc1C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000544454254 929203176 /nfs/dbraw/zinc/20/31/76/929203176.db2.gz CHNULTUDTQJCAC-NRFANRHFSA-N 1 0 379.504 3.799 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000753679144 929479018 /nfs/dbraw/zinc/47/90/18/929479018.db2.gz ODLNDISHHAWZDP-QPPBQGQZSA-N 1 0 393.531 3.839 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2noc(CSCc3ccc(C#N)cc3)n2)c1 ZINC000544773538 929565638 /nfs/dbraw/zinc/56/56/38/929565638.db2.gz FECQWWOPFCQVED-UHFFFAOYSA-N 1 0 394.500 3.982 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1F ZINC000753915804 929590882 /nfs/dbraw/zinc/59/08/82/929590882.db2.gz OWZZNJVUBOLJLK-UHFFFAOYSA-N 1 0 375.375 3.890 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000757707345 929778277 /nfs/dbraw/zinc/77/82/77/929778277.db2.gz PLFMWKGSBLAOIW-IFXJQAMLSA-N 1 0 380.517 3.569 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)COc3ccc(C#N)cc3)CCC[N@@H+]2C)cc1 ZINC000757900269 929847426 /nfs/dbraw/zinc/84/74/26/929847426.db2.gz DLGFBNUQKJZYFK-AUSIDOKSSA-N 1 0 394.471 3.572 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H]1[NH+](C)C ZINC000546127305 929880008 /nfs/dbraw/zinc/88/00/08/929880008.db2.gz BSDGCHIBXCWVMZ-WOJBJXKFSA-N 1 0 396.516 3.860 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000758190604 929967571 /nfs/dbraw/zinc/96/75/71/929967571.db2.gz IROZYZBUCAJYGB-QFBILLFUSA-N 1 0 388.471 3.643 20 30 GHEDRO COc1ccc(C[N@H+](Cn2cccc(C#N)c2=O)C2CCCCC2)cc1OC ZINC000758211625 929975517 /nfs/dbraw/zinc/97/55/17/929975517.db2.gz WXLWEMYPRFVSPD-UHFFFAOYSA-N 1 0 381.476 3.530 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](CC)Cc2ccccc2Br)CC1 ZINC000758249227 929988149 /nfs/dbraw/zinc/98/81/49/929988149.db2.gz OAWHZYWSGXVAAW-MRXNPFEDSA-N 1 0 391.353 3.622 20 30 GHEDRO CCC[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[N@@H+]1CCOC ZINC000469727363 930116000 /nfs/dbraw/zinc/11/60/00/930116000.db2.gz XBXNCDSTDWWYDI-IBGZPJMESA-N 1 0 396.535 3.518 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000759441675 930369421 /nfs/dbraw/zinc/36/94/21/930369421.db2.gz GIAJGRNDMJBCIM-UXHICEINSA-N 1 0 381.476 3.848 20 30 GHEDRO Cc1cc(C(=O)NCCCCCCC[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000780403437 930508100 /nfs/dbraw/zinc/50/81/00/930508100.db2.gz SYXOILSSWDOTAH-UHFFFAOYSA-N 1 0 393.535 3.829 20 30 GHEDRO CCCN(C(=O)NCc1ccc(C#N)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000780639754 930565983 /nfs/dbraw/zinc/56/59/83/930565983.db2.gz BXEGMKAZOWQYOH-QFIPXVFZSA-N 1 0 391.519 3.539 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000780677418 930574493 /nfs/dbraw/zinc/57/44/93/930574493.db2.gz GNOWOTYBNLWLRJ-APWZRJJASA-N 1 0 389.459 3.816 20 30 GHEDRO CS(=O)(=O)c1ccccc1N=NC1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781127718 930709096 /nfs/dbraw/zinc/70/90/96/930709096.db2.gz QAFJUOAYROAZED-RTBURBONSA-N 1 0 397.544 3.790 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000781375915 930821925 /nfs/dbraw/zinc/82/19/25/930821925.db2.gz NGYCWJJKUHPEIV-YFVAEKQCSA-N 1 0 398.551 3.820 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)sc2C1 ZINC000470921497 931035508 /nfs/dbraw/zinc/03/55/08/931035508.db2.gz ZMLVYJYONXSNEE-HBUWYVDXSA-N 1 0 387.549 3.572 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc3cc(C)cc(Br)c3o2)CC1 ZINC000782708112 931309720 /nfs/dbraw/zinc/30/97/20/931309720.db2.gz GUXKRHASUYOGJL-UHFFFAOYSA-N 1 0 389.293 3.721 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H](CC)c1ccc(Br)cc1Cl ZINC000783289630 931511759 /nfs/dbraw/zinc/51/17/59/931511759.db2.gz OZZIZSKCEAYZGJ-CQSZACIVSA-N 1 0 380.735 3.744 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000783531892 931573621 /nfs/dbraw/zinc/57/36/21/931573621.db2.gz NDLFZSIFTDPTHT-IRXDYDNUSA-N 1 0 375.456 3.922 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccccc2O1 ZINC000557619107 931576337 /nfs/dbraw/zinc/57/63/37/931576337.db2.gz WRILIRGZUPYJJM-CQSZACIVSA-N 1 0 381.501 3.720 20 30 GHEDRO N#Cc1ccc(NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000783797055 931657858 /nfs/dbraw/zinc/65/78/58/931657858.db2.gz TYKPUONGJNELLJ-UHFFFAOYSA-N 1 0 399.951 3.667 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000925243364 931715051 /nfs/dbraw/zinc/71/50/51/931715051.db2.gz KGZFHLRKBHTRQK-SQNIBIBYSA-N 1 0 390.572 3.521 20 30 GHEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCC[C@@](C)(C#N)C2)c1=S ZINC000784011301 931755465 /nfs/dbraw/zinc/75/54/65/931755465.db2.gz DDBZBTNZLWQJPD-APWZRJJASA-N 1 0 378.590 3.810 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)CC1 ZINC000784220246 931821146 /nfs/dbraw/zinc/82/11/46/931821146.db2.gz LXBHZEBROVUBOU-UHFFFAOYSA-N 1 0 385.830 3.527 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)c(C)c1OC ZINC000558155576 931862305 /nfs/dbraw/zinc/86/23/05/931862305.db2.gz VLZSMCQDSFSDLY-CYBMUJFWSA-N 1 0 387.867 3.827 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784503396 931915978 /nfs/dbraw/zinc/91/59/78/931915978.db2.gz CFULNJZNMFWMNG-UHOSZYNNSA-N 1 0 385.508 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC000784507433 931917639 /nfs/dbraw/zinc/91/76/39/931917639.db2.gz IOXBMLPJUSVFGZ-DFQSSKMNSA-N 1 0 385.508 3.714 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1cccnc1 ZINC000925907336 931951670 /nfs/dbraw/zinc/95/16/70/931951670.db2.gz YRIKCQQOVFLSMX-BHIFYINESA-N 1 0 391.519 3.556 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000558379198 931968391 /nfs/dbraw/zinc/96/83/91/931968391.db2.gz DKMYAOYCEARSEN-HXUWFJFHSA-N 1 0 383.492 3.871 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CCCN(c3ncccc3F)CC2)ccc1OC ZINC000784673938 931974474 /nfs/dbraw/zinc/97/44/74/931974474.db2.gz CBWVZGZZBRNFRA-UHFFFAOYSA-N 1 0 385.483 3.897 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558397947 931978573 /nfs/dbraw/zinc/97/85/73/931978573.db2.gz UXYVRANOFMKNTM-WIYYLYMNSA-N 1 0 397.544 3.596 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926016270 932001696 /nfs/dbraw/zinc/00/16/96/932001696.db2.gz ANPXAXVTENAISW-YLJYHZDGSA-N 1 0 392.503 3.894 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926028277 932007430 /nfs/dbraw/zinc/00/74/30/932007430.db2.gz ZBPDOKXHVLMGIK-FRRDWIJNSA-N 1 0 386.443 3.682 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[C@@H]1C[NH3+] ZINC000926045166 932015814 /nfs/dbraw/zinc/01/58/14/932015814.db2.gz GPKQEEAQOAUXSU-HUUCEWRRSA-N 1 0 382.439 3.938 20 30 GHEDRO COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)c1 ZINC000558503297 932039029 /nfs/dbraw/zinc/03/90/29/932039029.db2.gz HQZRNFLGUIZTGY-OAHLLOKOSA-N 1 0 382.439 3.617 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)ccc1OC ZINC000796824071 932081039 /nfs/dbraw/zinc/08/10/39/932081039.db2.gz DTBHHNWEDWFSKZ-WMLDXEAASA-N 1 0 395.459 3.558 20 30 GHEDRO COc1cc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1C#N ZINC000558602222 932100799 /nfs/dbraw/zinc/10/07/99/932100799.db2.gz RVLWJHGWIZVOKM-QGZVFWFLSA-N 1 0 392.503 3.592 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000796973358 932131161 /nfs/dbraw/zinc/13/11/61/932131161.db2.gz POJIMAHZQLGGGP-XLIONFOSSA-N 1 0 398.551 3.905 20 30 GHEDRO COC[C@@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCCN1C(=O)OC(C)(C)C ZINC000797114138 932188391 /nfs/dbraw/zinc/18/83/91/932188391.db2.gz OSWGCCRHEZUMGK-OFNKIYASSA-N 1 0 399.535 3.941 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558734532 932200387 /nfs/dbraw/zinc/20/03/87/932200387.db2.gz JVYXQUNCBDFCIA-INIZCTEOSA-N 1 0 387.505 3.734 20 30 GHEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC000926880822 932334921 /nfs/dbraw/zinc/33/49/21/932334921.db2.gz VWUWXCBQOPTAMW-IAGOWNOFSA-N 1 0 379.545 3.711 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000558980791 932352007 /nfs/dbraw/zinc/35/20/07/932352007.db2.gz MKFOGHRCLVGPRE-SFHVURJKSA-N 1 0 383.540 3.698 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000558988983 932357712 /nfs/dbraw/zinc/35/77/12/932357712.db2.gz FYNXIPBCVYLEHM-UHFFFAOYSA-N 1 0 394.567 3.541 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000559095010 932430750 /nfs/dbraw/zinc/43/07/50/932430750.db2.gz KGASJLFDIVJTFV-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000798268527 932583278 /nfs/dbraw/zinc/58/32/78/932583278.db2.gz XKTYTECISOKSJT-UHFFFAOYSA-N 1 0 385.423 3.605 20 30 GHEDRO C[C@@]1(CNC(=O)Nc2cccc(OCC#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000798484923 932667576 /nfs/dbraw/zinc/66/75/76/932667576.db2.gz XIQJFLAJILCICL-QFIPXVFZSA-N 1 0 378.476 3.623 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](CCCC2(C#N)CCOCC2)C2CC2)C1 ZINC000799142838 932886517 /nfs/dbraw/zinc/88/65/17/932886517.db2.gz AYMUMSWERODOSQ-GOSISDBHSA-N 1 0 377.529 3.561 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1C#N ZINC000799333977 932954759 /nfs/dbraw/zinc/95/47/59/932954759.db2.gz NCRLUQQLYIDVDP-HZPDHXFCSA-N 1 0 383.467 3.609 20 30 GHEDRO C[NH+](C)CCCNC(=S)NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000799480832 933018222 /nfs/dbraw/zinc/01/82/22/933018222.db2.gz XYNALUJVUIMNFB-AWEZNQCLSA-N 1 0 386.487 3.745 20 30 GHEDRO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1CCC(C#N)CC1 ZINC000929246277 933301591 /nfs/dbraw/zinc/30/15/91/933301591.db2.gz FZDFFHIROAOWKX-UHFFFAOYSA-N 1 0 384.480 3.504 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000560550781 933335313 /nfs/dbraw/zinc/33/53/13/933335313.db2.gz QDWBWBDOUVXLDW-VQIMIIECSA-N 1 0 381.442 3.600 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[C@@H](SC)C2)cc1 ZINC001116150655 933364779 /nfs/dbraw/zinc/36/47/79/933364779.db2.gz VKSIMVLDVNQVQC-PKOBYXMFSA-N 1 0 375.538 3.548 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC001116322699 933480504 /nfs/dbraw/zinc/48/05/04/933480504.db2.gz LFPRTCHYFBBYCF-MRXNPFEDSA-N 1 0 383.517 3.812 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)c1 ZINC000929926950 933711219 /nfs/dbraw/zinc/71/12/19/933711219.db2.gz HNJPEAGILNOHMH-ROUUACIJSA-N 1 0 395.425 3.709 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000930199982 933887971 /nfs/dbraw/zinc/88/79/71/933887971.db2.gz ZBIMUKPUTQHBJH-AWEZNQCLSA-N 1 0 383.879 3.720 20 30 GHEDRO COc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)ccc1C#N ZINC001117693020 933985408 /nfs/dbraw/zinc/98/54/08/933985408.db2.gz QWYJLBFIRKDPJG-OAQYLSRUSA-N 1 0 377.488 3.546 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(C#N)cc3)cc2)CC1 ZINC001118859126 934269254 /nfs/dbraw/zinc/26/92/54/934269254.db2.gz CVHSALUAFLVCLF-UHFFFAOYSA-N 1 0 376.504 3.616 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000561916879 934556682 /nfs/dbraw/zinc/55/66/82/934556682.db2.gz GODJXVLUUKLTQE-MRXNPFEDSA-N 1 0 378.259 3.517 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001121569107 934700971 /nfs/dbraw/zinc/70/09/71/934700971.db2.gz ACPTUFZOVRJEND-HNNXBMFYSA-N 1 0 381.615 3.501 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001121589896 934709096 /nfs/dbraw/zinc/70/90/96/934709096.db2.gz JVOPTSTYWGRMOI-RYQLBKOJSA-N 1 0 391.510 3.820 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1ccccc1F ZINC001121628605 934719540 /nfs/dbraw/zinc/71/95/40/934719540.db2.gz FPTUSUCBGFKNNU-HXUWFJFHSA-N 1 0 399.514 3.556 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001121657183 934729371 /nfs/dbraw/zinc/72/93/71/934729371.db2.gz FWOXKPZDFLNYAK-INIZCTEOSA-N 1 0 396.495 3.547 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001121681588 934736898 /nfs/dbraw/zinc/73/68/98/934736898.db2.gz CIBHPVFIGTYZAM-JENIJYKNSA-N 1 0 387.572 3.793 20 30 GHEDRO C=CCn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nnc1C(F)(F)CC1CC1 ZINC001121731687 934749723 /nfs/dbraw/zinc/74/97/23/934749723.db2.gz CAWQLBQPWJMHDN-YESZJQIVSA-N 1 0 379.499 3.523 20 30 GHEDRO C#CC[C@@H]1CCCN(c2nnc(C3CCN(c4cc[nH+]cc4C)CC3)n2CC)C1 ZINC001121952952 934791773 /nfs/dbraw/zinc/79/17/73/934791773.db2.gz OBNZIOFPPWWZFK-LJQANCHMSA-N 1 0 392.551 3.625 20 30 GHEDRO Cc1cc(NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)ncc1C#N ZINC000932155867 934836762 /nfs/dbraw/zinc/83/67/62/934836762.db2.gz PNDLVQHCZTXFQQ-UHFFFAOYSA-N 1 0 389.503 3.881 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001122442188 934870920 /nfs/dbraw/zinc/87/09/20/934870920.db2.gz YUIKCECJPXFPBG-QUCCMNQESA-N 1 0 378.524 3.787 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2c(C)n[nH]c2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001122441864 934871176 /nfs/dbraw/zinc/87/11/76/934871176.db2.gz HXBNGKRZXNZNHO-QFBILLFUSA-N 1 0 399.587 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001122442189 934871237 /nfs/dbraw/zinc/87/12/37/934871237.db2.gz YUIKCECJPXFPBG-UYAOXDASSA-N 1 0 378.524 3.787 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCCCC3)CC2)nnc1C1(OC)CC1 ZINC001122472505 934878086 /nfs/dbraw/zinc/87/80/86/934878086.db2.gz GVWWYIQRKRQASK-UHFFFAOYSA-N 1 0 387.572 3.725 20 30 GHEDRO C=C(C)Cn1c(-c2cnoc2C)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001122527711 934890352 /nfs/dbraw/zinc/89/03/52/934890352.db2.gz MMXDRVMEWNPKIY-LJQANCHMSA-N 1 0 392.507 3.528 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001122588294 934910289 /nfs/dbraw/zinc/91/02/89/934910289.db2.gz WSEPEEQMXQLUCA-QHCPKHFHSA-N 1 0 396.583 3.890 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3cccnc23)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001122606804 934917389 /nfs/dbraw/zinc/91/73/89/934917389.db2.gz PYHYVJHJLHUBMJ-UHFFFAOYSA-N 1 0 393.539 3.708 20 30 GHEDRO COc1cc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)ccc1C#N ZINC000828213521 935594697 /nfs/dbraw/zinc/59/46/97/935594697.db2.gz LTIZYUBDNYPTPN-UHFFFAOYSA-N 1 0 379.460 3.602 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH+]3CCC(F)CC3)CC2)c(Br)c1 ZINC001137638148 935653730 /nfs/dbraw/zinc/65/37/30/935653730.db2.gz STJPLNLKVJBNMH-UHFFFAOYSA-N 1 0 380.305 3.719 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)c(C#N)c1 ZINC001137699513 935731153 /nfs/dbraw/zinc/73/11/53/935731153.db2.gz KBFWZCHIRABANA-UHFFFAOYSA-N 1 0 395.528 3.757 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000829739075 935854402 /nfs/dbraw/zinc/85/44/02/935854402.db2.gz HKIPOGVCGVRROI-CYBMUJFWSA-N 1 0 386.402 3.540 20 30 GHEDRO N#Cc1ccccc1OCCCNC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC001220684989 1032062281 /nfs/dbraw/zinc/06/22/81/1032062281.db2.gz JESJWVNNZLTKQP-QGZVFWFLSA-N 1 0 392.286 3.840 20 30 GHEDRO C=CC[C@@]1(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001625932345 1014458272 /nfs/dbraw/zinc/45/82/72/1014458272.db2.gz HVDSNZKNDXSXJU-GCJKJVERSA-N 1 0 393.572 3.569 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000544977253 1015314554 /nfs/dbraw/zinc/31/45/54/1015314554.db2.gz JOMIAZGTWCITAA-HNNXBMFYSA-N 1 0 378.432 3.689 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(C(F)F)c3)CC2)cc1 ZINC000468237385 1015472669 /nfs/dbraw/zinc/47/26/69/1015472669.db2.gz GVHRCPXVSUMDKN-UHFFFAOYSA-N 1 0 383.442 3.773 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000468468027 1015730514 /nfs/dbraw/zinc/73/05/14/1015730514.db2.gz OQLCCPHWERLTOG-HXUWFJFHSA-N 1 0 381.476 3.580 20 30 GHEDRO C[N@H+](CCC(=O)N[C@H](C#N)c1cccc(Br)c1)C1CCCCC1 ZINC000545308492 1015762711 /nfs/dbraw/zinc/76/27/11/1015762711.db2.gz ZRYSELXHRGVFHH-QGZVFWFLSA-N 1 0 378.314 3.785 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[C@]12CCCO2 ZINC000545350118 1015797294 /nfs/dbraw/zinc/79/72/94/1015797294.db2.gz QWFWOQIIUPPEOE-RBZQAINGSA-N 1 0 392.499 3.953 20 30 GHEDRO COC(=O)[C@@H](N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)c1cccc(C#N)c1 ZINC000468797073 1016042393 /nfs/dbraw/zinc/04/23/93/1016042393.db2.gz BTJFRKKJQWSXDC-VXKWHMMOSA-N 1 0 379.504 3.519 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(COc2ccc(C#N)cc2)n1 ZINC000545597852 1016086046 /nfs/dbraw/zinc/08/60/46/1016086046.db2.gz PAFQOZHKEGSDBS-UHFFFAOYSA-N 1 0 392.459 3.908 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)ccc1OC1CCCC1 ZINC000468892261 1016174330 /nfs/dbraw/zinc/17/43/30/1016174330.db2.gz HBJMSJLFQXYQEJ-CVEARBPZSA-N 1 0 385.508 3.618 20 30 GHEDRO CC(C)CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000469106280 1016488037 /nfs/dbraw/zinc/48/80/37/1016488037.db2.gz XAZCZVAHAAVUPX-HZPDHXFCSA-N 1 0 389.565 3.820 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1OC ZINC000546710512 1016722521 /nfs/dbraw/zinc/72/25/21/1016722521.db2.gz VGSDJHYVQGZXKZ-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO Cc1ncsc1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924970793 1017029290 /nfs/dbraw/zinc/02/92/90/1017029290.db2.gz QJFIQAFEHGKYFU-CQSZACIVSA-N 1 0 378.542 3.861 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001227178537 1032309891 /nfs/dbraw/zinc/30/98/91/1032309891.db2.gz YYDUKMKCEFFXDR-QKYXUNIQSA-N 1 0 386.879 3.748 20 30 GHEDRO C=CCN1CC[C@]2(CCCN2Cc2cc(Br)cc(C)c2OC)C1=O ZINC001277206812 1032411228 /nfs/dbraw/zinc/41/12/28/1032411228.db2.gz YGYPSQLYZUGKEW-LJQANCHMSA-N 1 0 393.325 3.519 20 30 GHEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155484942 1032558917 /nfs/dbraw/zinc/55/89/17/1032558917.db2.gz VIGJNVAWZUTQKX-YMPZKCBVSA-N 1 0 396.494 3.934 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155602702 1032594527 /nfs/dbraw/zinc/59/45/27/1032594527.db2.gz OSBPOKLXZMMEEZ-BLVKFPJESA-N 1 0 391.302 3.984 20 30 GHEDRO COC(=O)C1=C[C@H](Oc2cccc(Cl)c2C#N)CN(Cc2ccccc2)C1 ZINC001227788185 1032604741 /nfs/dbraw/zinc/60/47/41/1032604741.db2.gz XCPJUUUWTDALAO-KRWDZBQOSA-N 1 0 382.847 3.574 20 30 GHEDRO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C(F)(F)F)c(Cl)c1)CC2 ZINC001276445247 1032616859 /nfs/dbraw/zinc/61/68/59/1032616859.db2.gz GTPRAOIODHSBKB-OAHLLOKOSA-N 1 0 384.829 3.710 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2c2ccccc2)C1=O ZINC001204221770 1032669227 /nfs/dbraw/zinc/66/92/27/1032669227.db2.gz FJWPEHHDAFNSNM-XXBNENTESA-N 1 0 382.454 3.969 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000558009737 1017090360 /nfs/dbraw/zinc/09/03/60/1017090360.db2.gz AFVLBPCXGQPSSD-AVRDEDQJSA-N 1 0 389.499 3.836 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccccc1F ZINC000560929288 1017752643 /nfs/dbraw/zinc/75/26/43/1017752643.db2.gz VCANPWGYJCXQIO-UHFFFAOYSA-N 1 0 388.512 3.607 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)cc1 ZINC001204301222 1032742451 /nfs/dbraw/zinc/74/24/51/1032742451.db2.gz SJCQGEAOZPYUFM-BJKOFHAPSA-N 1 0 394.515 3.987 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000562378294 1018132919 /nfs/dbraw/zinc/13/29/19/1018132919.db2.gz LPLJENSFTNYAIE-MRXNPFEDSA-N 1 0 382.430 3.691 20 30 GHEDRO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000778090078 1018348272 /nfs/dbraw/zinc/34/82/72/1018348272.db2.gz PPZOXZMFQKPQIK-LJQANCHMSA-N 1 0 397.523 3.598 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CCOc3ccccc3C#N)CCN2C2CC2)c1 ZINC000562755863 1018606670 /nfs/dbraw/zinc/60/66/70/1018606670.db2.gz OQAOPAYPKIOKKV-JTHBVZDNSA-N 1 0 377.488 3.513 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CCOc3ccccc3C#N)CCN2C2CC2)c1 ZINC000562755860 1018606909 /nfs/dbraw/zinc/60/69/09/1018606909.db2.gz OQAOPAYPKIOKKV-FYYLOGMGSA-N 1 0 377.488 3.513 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000562840471 1018698811 /nfs/dbraw/zinc/69/88/11/1018698811.db2.gz RHQZEADCSNRCTG-UXHICEINSA-N 1 0 391.943 3.585 20 30 GHEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000932927330 1018758555 /nfs/dbraw/zinc/75/85/55/1018758555.db2.gz VGXQIFKZJQJSGZ-NRFANRHFSA-N 1 0 378.501 3.579 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1 ZINC000933071559 1018830021 /nfs/dbraw/zinc/83/00/21/1018830021.db2.gz CEXCHHYAIGQUHX-OAQYLSRUSA-N 1 0 378.472 3.678 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000778150775 1018838935 /nfs/dbraw/zinc/83/89/35/1018838935.db2.gz DQLBKWSEFOZWDQ-UHFFFAOYSA-N 1 0 382.891 3.746 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000778178260 1018881600 /nfs/dbraw/zinc/88/16/00/1018881600.db2.gz KVGKXFVJZKNLHS-HXUWFJFHSA-N 1 0 398.934 3.599 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000563882350 1018976171 /nfs/dbraw/zinc/97/61/71/1018976171.db2.gz JEDJPBGZPWHSLW-GCJKJVERSA-N 1 0 388.515 3.993 20 30 GHEDRO Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000564857045 1019118197 /nfs/dbraw/zinc/11/81/97/1019118197.db2.gz QCBOYNJTQDJXTD-KBWCOIMZSA-N 1 0 380.488 3.586 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCCC2 ZINC000568643027 1019434802 /nfs/dbraw/zinc/43/48/02/1019434802.db2.gz LUNMRBHHGXWRIE-HNAYVOBHSA-N 1 0 379.529 3.950 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155998425 1032832146 /nfs/dbraw/zinc/83/21/46/1032832146.db2.gz MIERATSTLCYGRP-AWEZNQCLSA-N 1 0 378.501 3.777 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cscc1C#N ZINC000570023963 1019551659 /nfs/dbraw/zinc/55/16/59/1019551659.db2.gz OFALUWCXLRUUCW-GOSISDBHSA-N 1 0 391.500 3.824 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000574474846 1019879370 /nfs/dbraw/zinc/87/93/70/1019879370.db2.gz RFICMAOVBIVHBC-UHFFFAOYSA-N 1 0 396.922 3.718 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000575799219 1019948829 /nfs/dbraw/zinc/94/88/29/1019948829.db2.gz BDVYIKZYSKXMNN-WJMWBRGCSA-N 1 0 383.536 3.732 20 30 GHEDRO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000576230893 1019991541 /nfs/dbraw/zinc/99/15/41/1019991541.db2.gz RJVDNGIMJDLNQA-UHFFFAOYSA-N 1 0 379.464 3.600 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000576445140 1020014313 /nfs/dbraw/zinc/01/43/13/1020014313.db2.gz VOUJUFKOAOKOKI-MRXNPFEDSA-N 1 0 379.464 3.599 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000600741892 1020230481 /nfs/dbraw/zinc/23/04/81/1020230481.db2.gz RGJDIPOPKQIHGN-DYVFJYSZSA-N 1 0 388.309 3.952 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779057510 1020342885 /nfs/dbraw/zinc/34/28/85/1020342885.db2.gz JQBLJANAYJIAPC-MJGOQNOKSA-N 1 0 395.478 3.870 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CCN(Cc1ccc(Br)cc1F)CC2 ZINC001204551489 1032965802 /nfs/dbraw/zinc/96/58/02/1032965802.db2.gz PCIMUPCXLJQTRR-UHFFFAOYSA-N 1 0 397.288 3.809 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3cccc(Br)c3C#N)c2)CC1 ZINC001204564605 1032974498 /nfs/dbraw/zinc/97/44/98/1032974498.db2.gz MVLBFPDEQUYOLB-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001140301359 1021346622 /nfs/dbraw/zinc/34/66/22/1021346622.db2.gz WZLSIPBVJHYKSH-UHFFFAOYSA-N 1 0 395.934 3.514 20 30 GHEDRO C[C@@H](C#N)OCC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801919302 1021455447 /nfs/dbraw/zinc/45/54/47/1021455447.db2.gz IEPIDZKETXTMEM-ICSRJNTNSA-N 1 0 387.524 3.817 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001140351761 1021472783 /nfs/dbraw/zinc/47/27/83/1021472783.db2.gz DSFCYVQSRGIZLN-XZOQPEGZSA-N 1 0 379.504 3.717 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902790582 1021541241 /nfs/dbraw/zinc/54/12/41/1021541241.db2.gz QROFPTHFCRGKSG-ZDUSSCGKSA-N 1 0 375.398 3.687 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140401934 1021571904 /nfs/dbraw/zinc/57/19/04/1021571904.db2.gz WGVKUCZQPWHCNI-QHCPKHFHSA-N 1 0 394.494 3.816 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c2cc(C#N)ccc21 ZINC001140440108 1021713742 /nfs/dbraw/zinc/71/37/42/1021713742.db2.gz XRMYUGZZYLPITR-IBGZPJMESA-N 1 0 394.519 3.966 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001140481495 1021783742 /nfs/dbraw/zinc/78/37/42/1021783742.db2.gz UBENVDOMQLWARW-LJQANCHMSA-N 1 0 383.536 3.589 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1sc(-c2c(C)noc2C)nc1C ZINC000835232683 1021977027 /nfs/dbraw/zinc/97/70/27/1021977027.db2.gz XTKBOJXDLXDTIX-GFCCVEGCSA-N 1 0 375.494 3.614 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3cc(F)c(C#N)c(F)c3)C2)C1 ZINC001140753102 1022436290 /nfs/dbraw/zinc/43/62/90/1022436290.db2.gz XMZWHWHSXMAMFG-AWEZNQCLSA-N 1 0 377.435 3.525 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1cc(Br)ccn1)[C@H]2CC ZINC001140763145 1022468769 /nfs/dbraw/zinc/46/87/69/1022468769.db2.gz YRUUXOHZFOXSFY-HKUYNNGSSA-N 1 0 392.341 3.766 20 30 GHEDRO C=C(Br)CNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000754104697 1022484527 /nfs/dbraw/zinc/48/45/27/1022484527.db2.gz LOCKHZHQOHNNFA-UHFFFAOYSA-N 1 0 394.357 3.887 20 30 GHEDRO CC(C)[N@H+]1CC(N=Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)[C@@H](C)C1 ZINC000754257770 1022564393 /nfs/dbraw/zinc/56/43/93/1022564393.db2.gz FBHOFRKALWDWNL-LBPRGKRZSA-N 1 0 378.402 3.685 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c1Cl ZINC001140813453 1022609825 /nfs/dbraw/zinc/60/98/25/1022609825.db2.gz ISVCVPVVGCOIOL-JOCHJYFZSA-N 1 0 394.906 3.764 20 30 GHEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754314673 1022610968 /nfs/dbraw/zinc/61/09/68/1022610968.db2.gz NEDGEKLQXIWTPL-HKUYNNGSSA-N 1 0 387.524 3.952 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(C)c(F)cc3Br)CC2)C1=O ZINC001277331515 1033111079 /nfs/dbraw/zinc/11/10/79/1033111079.db2.gz GZQOMRKQKMHQJE-UHFFFAOYSA-N 1 0 395.316 3.897 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H](F)[C@@H]([NH3+])C3)c2)cc1 ZINC001204837199 1033114666 /nfs/dbraw/zinc/11/46/66/1033114666.db2.gz VQWAZNKZIZAXGN-MSOLQXFVSA-N 1 0 390.256 3.594 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c[nH]c(CCCC)n3)C[C@@H]2c2ccccc2)C1=O ZINC001141068412 1023418682 /nfs/dbraw/zinc/41/86/82/1023418682.db2.gz IQINZMNOZMVFOU-QPPBQGQZSA-N 1 0 392.547 3.756 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cccc(C)c1Br)CC2 ZINC001141090564 1023468956 /nfs/dbraw/zinc/46/89/56/1023468956.db2.gz VLUZMFYINQTWCL-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO C[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000756024601 1023482715 /nfs/dbraw/zinc/48/27/15/1023482715.db2.gz STTJOYAPEFYDQK-YADARESESA-N 1 0 382.467 3.887 20 30 GHEDRO C#CC[C@H](NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000756858873 1023837486 /nfs/dbraw/zinc/83/74/86/1023837486.db2.gz VKUQUSIQMHSKEY-QFIPXVFZSA-N 1 0 377.557 3.880 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CSCc1ccc(Br)cc1 ZINC001156668895 1033171320 /nfs/dbraw/zinc/17/13/20/1033171320.db2.gz ZNCXCHUIGTUXLC-UHFFFAOYSA-N 1 0 385.371 3.649 20 30 GHEDRO CN(C)C(=O)O[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000830509214 1023960742 /nfs/dbraw/zinc/96/07/42/1023960742.db2.gz FDSRDACSTYJETG-OAQYLSRUSA-N 1 0 377.488 3.659 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC001141152569 1023977690 /nfs/dbraw/zinc/97/76/90/1023977690.db2.gz JJQGPACXNUNBRC-LJQANCHMSA-N 1 0 378.419 3.541 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccc3c1OC(F)(F)O3)CC2 ZINC001138067126 1023981336 /nfs/dbraw/zinc/98/13/36/1023981336.db2.gz XJVOKGZLGNUXCA-LJQANCHMSA-N 1 0 378.419 3.541 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(O)ccc1Br)CC2 ZINC001138143872 1024224407 /nfs/dbraw/zinc/22/44/07/1024224407.db2.gz ACVRIDUTOCBPHB-LJQANCHMSA-N 1 0 393.325 3.688 20 30 GHEDRO CN1CC[NH+](C2CCN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)CC1 ZINC001141294030 1024426425 /nfs/dbraw/zinc/42/64/25/1024426425.db2.gz SOTYXDIXBOFXPC-UHFFFAOYSA-N 1 0 390.531 3.562 20 30 GHEDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@H]21 ZINC001141298161 1024443848 /nfs/dbraw/zinc/44/38/48/1024443848.db2.gz LWBIHWRUXZQGNF-DENIHFKCSA-N 1 0 375.472 3.793 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cc(C(=O)OC)ccc13)C2 ZINC001138263647 1024498073 /nfs/dbraw/zinc/49/80/73/1024498073.db2.gz YDBVZIGOQUCEOA-JTHBVZDNSA-N 1 0 398.503 3.528 20 30 GHEDRO COc1cc2cccnc2c(N(c2nc(Cl)cnc2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001156751109 1033223305 /nfs/dbraw/zinc/22/33/05/1033223305.db2.gz ZHIYACKXPFOTKA-ZDUSSCGKSA-N 1 0 396.882 3.824 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)c(OC)cc1C)C2 ZINC001138437944 1024847630 /nfs/dbraw/zinc/84/76/30/1024847630.db2.gz SUYGNGUUWVZEIU-FGZHOGPDSA-N 1 0 375.509 3.586 20 30 GHEDRO COc1ccc(C)cc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001138486334 1024916917 /nfs/dbraw/zinc/91/69/17/1024916917.db2.gz OEXLJOCDTNXYOQ-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2nc(Cl)c(Cl)cc2C#N)CCC([NH3+])CC1 ZINC001156800531 1033248903 /nfs/dbraw/zinc/24/89/03/1033248903.db2.gz NGTGJXMEYYVMIY-UHFFFAOYSA-N 1 0 385.295 3.654 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC001138532519 1024974339 /nfs/dbraw/zinc/97/43/39/1024974339.db2.gz TUCXGPLSGHNMEC-UHFFFAOYSA-N 1 0 382.577 3.602 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 ZINC001205105009 1033253267 /nfs/dbraw/zinc/25/32/67/1033253267.db2.gz VZNIZAFSYQFGSE-KRWDZBQOSA-N 1 0 394.523 3.505 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001138560703 1025022970 /nfs/dbraw/zinc/02/29/70/1025022970.db2.gz IIQVJJZVFBOAPH-QGZVFWFLSA-N 1 0 391.393 3.551 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 ZINC001138594867 1025076915 /nfs/dbraw/zinc/07/69/15/1025076915.db2.gz BCMSKZUMRKVOLZ-DHIUTWEWSA-N 1 0 375.516 3.786 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(Oc3ncccn3)c1)CC2 ZINC001138618860 1025112430 /nfs/dbraw/zinc/11/24/30/1025112430.db2.gz CAQIRDMRAILHEL-QHCPKHFHSA-N 1 0 392.503 3.802 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)c1O ZINC001138626408 1025125369 /nfs/dbraw/zinc/12/53/69/1025125369.db2.gz HKPKCFPAFLHCSD-UHFFFAOYSA-N 1 0 391.515 3.530 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)c1O ZINC001138626938 1025125565 /nfs/dbraw/zinc/12/55/65/1025125565.db2.gz SYBMTRMUJAVNSA-UHFFFAOYSA-N 1 0 380.488 3.842 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1O ZINC001138627224 1025126901 /nfs/dbraw/zinc/12/69/01/1025126901.db2.gz ZWIKNKPISZEOGR-UHFFFAOYSA-N 1 0 392.499 3.519 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c1O ZINC001138628053 1025128691 /nfs/dbraw/zinc/12/86/91/1025128691.db2.gz RZMWDLFHRVSBCY-UKILVPOCSA-N 1 0 390.527 3.885 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)OC3)CC2)c1O ZINC001138627704 1025129170 /nfs/dbraw/zinc/12/91/70/1025129170.db2.gz MYSGFYJEIRBTMX-OAQYLSRUSA-N 1 0 398.547 3.504 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C2)C1 ZINC000838486656 1025166868 /nfs/dbraw/zinc/16/68/68/1025166868.db2.gz LLXXUHWOFIGTCA-JOCHJYFZSA-N 1 0 394.544 3.914 20 30 GHEDRO C[C@@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+](C2CC2)C1 ZINC000838486624 1025167421 /nfs/dbraw/zinc/16/74/21/1025167421.db2.gz LCFKOFGICLFHAY-INIZCTEOSA-N 1 0 394.544 3.912 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(Nc4cc(F)c(F)c(C#N)c4F)cc3)CC2)CC1 ZINC001205129279 1033268309 /nfs/dbraw/zinc/26/83/09/1033268309.db2.gz XGPAGFYYMFYSFY-UHFFFAOYSA-N 1 0 386.421 3.956 20 30 GHEDRO COc1ccc([C@H]2[C@H](COC(=O)c3cc(C)c(C#N)cn3)CCC[N@@H+]2C)cc1 ZINC000838806078 1025377756 /nfs/dbraw/zinc/37/77/56/1025377756.db2.gz NEHFXRGJQYQZNE-UWJYYQICSA-N 1 0 379.460 3.510 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001138828838 1025437732 /nfs/dbraw/zinc/43/77/32/1025437732.db2.gz BAOSDOYVQVWDGG-HXUWFJFHSA-N 1 0 383.442 3.867 20 30 GHEDRO Cc1nc(C#N)cnc1NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC001162033093 1025553125 /nfs/dbraw/zinc/55/31/25/1025553125.db2.gz HFJFVEIOWAUCDQ-UHFFFAOYSA-N 1 0 375.398 3.752 20 30 GHEDRO N#Cc1cnc(Cl)nc1N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001162054382 1025567893 /nfs/dbraw/zinc/56/78/93/1025567893.db2.gz LMLRKHKGXDIBGP-UHFFFAOYSA-N 1 0 395.816 3.561 20 30 GHEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000839089619 1025585336 /nfs/dbraw/zinc/58/53/36/1025585336.db2.gz HJVHGPRWEZOLCG-ZWKOTPCHSA-N 1 0 379.545 3.570 20 30 GHEDRO COc1cc(CC2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C2)cc(OC)c1 ZINC000839139506 1025634792 /nfs/dbraw/zinc/63/47/92/1025634792.db2.gz VDROFCXTWSGZKR-UHFFFAOYSA-N 1 0 379.504 3.728 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2cc(C(=O)Nc3ccc(Cl)nc3)ccc2F)CC1 ZINC001162227549 1025678691 /nfs/dbraw/zinc/67/86/91/1025678691.db2.gz XIYXIKLZFOSSTJ-UHFFFAOYSA-N 1 0 387.846 3.526 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)N3CCC(C4CC[NH2+]CC4)CC3)c2)c1 ZINC001161213635 1025726364 /nfs/dbraw/zinc/72/63/64/1025726364.db2.gz GDDGESLUVSMBQS-UHFFFAOYSA-N 1 0 389.499 3.783 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162461821 1025755273 /nfs/dbraw/zinc/75/52/73/1025755273.db2.gz RCRLWEYDBLPRGV-WMZOPIPTSA-N 1 0 389.616 3.650 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-n2c3ccccc3nc2[C@H](C)[NH3+])n1 ZINC001162764672 1025910154 /nfs/dbraw/zinc/91/01/54/1025910154.db2.gz ZUABDAGAZQBOQR-ZVSZRUJOSA-N 1 0 383.521 3.630 20 30 GHEDRO C#CCOc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC001141630155 1025958625 /nfs/dbraw/zinc/95/86/25/1025958625.db2.gz LBRJONZRJWDGCN-LJQANCHMSA-N 1 0 376.500 3.861 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001461048208 1069359430 /nfs/dbraw/zinc/35/94/30/1069359430.db2.gz OVJNEJRNHJLPFK-HOTGVXAUSA-N 1 0 379.342 3.814 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc4cc(F)ccc4n3)C2)C1 ZINC001141640220 1025995842 /nfs/dbraw/zinc/99/58/42/1025995842.db2.gz RCLZCWMIQTZUHT-QFIPXVFZSA-N 1 0 383.467 3.984 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001162995075 1026000657 /nfs/dbraw/zinc/00/06/57/1026000657.db2.gz RSRYWUMTXUKNKL-BTYIYWSLSA-N 1 0 387.443 3.947 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000839594144 1026095190 /nfs/dbraw/zinc/09/51/90/1026095190.db2.gz LCDMDRUTIRJDCG-SFHVURJKSA-N 1 0 384.524 3.586 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839603583 1026104253 /nfs/dbraw/zinc/10/42/53/1026104253.db2.gz FQVRIQCYZVKNIC-IBGZPJMESA-N 1 0 387.524 3.654 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001163276406 1026119708 /nfs/dbraw/zinc/11/97/08/1026119708.db2.gz VDQPQWXNMJUCOT-KRWDZBQOSA-N 1 0 391.862 3.920 20 30 GHEDRO COc1cccc([C@@H](C[NH3+])Nc2cnc(Cl)nc2Oc2cccc(C#N)c2)c1 ZINC001163314998 1026138674 /nfs/dbraw/zinc/13/86/74/1026138674.db2.gz ZTYQAGTVGGGDJJ-QGZVFWFLSA-N 1 0 395.850 3.914 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCCSCC#N)C[C@H]1c1cccc(F)c1 ZINC000839639364 1026146052 /nfs/dbraw/zinc/14/60/52/1026146052.db2.gz KECXXOKERRTZAA-ZWKOTPCHSA-N 1 0 393.528 3.765 20 30 GHEDRO N#Cc1cccc([C@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CCO2)c1 ZINC000839716008 1026226147 /nfs/dbraw/zinc/22/61/47/1026226147.db2.gz KQOVNAJWOCYBLT-HSZRJFAPSA-N 1 0 389.499 3.758 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(OC)c1OC ZINC001139360947 1026234269 /nfs/dbraw/zinc/23/42/69/1026234269.db2.gz CBYXFIDZDTVVBK-FQEVSTJZSA-N 1 0 386.536 3.959 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCCN(c4ccc(F)cn4)CC3)cc2)c1 ZINC001139400224 1026270442 /nfs/dbraw/zinc/27/04/42/1026270442.db2.gz KLKFTTBYMJJEJX-UHFFFAOYSA-N 1 0 387.462 3.867 20 30 GHEDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)c1 ZINC001139405763 1026276876 /nfs/dbraw/zinc/27/68/76/1026276876.db2.gz BEUAYSUOFJNVRR-NRFANRHFSA-N 1 0 386.455 3.677 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139406627 1026280430 /nfs/dbraw/zinc/28/04/30/1026280430.db2.gz XKTOZNUMRRQBTH-TZIWHRDSSA-N 1 0 390.487 3.671 20 30 GHEDRO [NH2+]=C(Nc1ccc2nnc(-c3cccnc3)n2c1)c1ccc(C(F)(F)F)cc1 ZINC001163684956 1026283074 /nfs/dbraw/zinc/28/30/74/1026283074.db2.gz FITOIBUYTIXYFJ-UHFFFAOYSA-N 1 0 382.349 3.847 20 30 GHEDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)CC2 ZINC001139424198 1026295275 /nfs/dbraw/zinc/29/52/75/1026295275.db2.gz QPPHLIGORRFELH-UHFFFAOYSA-N 1 0 390.487 3.722 20 30 GHEDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427701 1026298069 /nfs/dbraw/zinc/29/80/69/1026298069.db2.gz OIBXSQBFNVFWGW-QFIPXVFZSA-N 1 0 379.460 3.911 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC001139508323 1026362949 /nfs/dbraw/zinc/36/29/49/1026362949.db2.gz INRAJNPRUUUHBC-UHFFFAOYSA-N 1 0 379.479 3.720 20 30 GHEDRO CN(Cc1ccco1)Cc1cncc2c1CCN(Cc1ccc(C#N)c(F)c1)C2 ZINC001139527522 1026383767 /nfs/dbraw/zinc/38/37/67/1026383767.db2.gz FERQEFSGEWWFAI-UHFFFAOYSA-N 1 0 390.462 3.876 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001139527809 1026384861 /nfs/dbraw/zinc/38/48/61/1026384861.db2.gz POYAWAJPSPDYHK-KJXAQDMKSA-N 1 0 378.495 3.825 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3ccc(CC#N)cc3C)CC2)cc1 ZINC001164334096 1026488797 /nfs/dbraw/zinc/48/87/97/1026488797.db2.gz MHTPVVOATAYMGC-UHFFFAOYSA-N 1 0 378.520 3.694 20 30 GHEDRO CC(=O)N1CC2(CC[NH+](Cc3cc(C#N)ccc3F)CC2)c2cc(C)ccc21 ZINC001139649052 1026511322 /nfs/dbraw/zinc/51/13/22/1026511322.db2.gz LNCUOWUPAYFVLL-UHFFFAOYSA-N 1 0 377.463 3.906 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CCC(C[NH3+])(c3ccccc3)CC2)cnc1Cl ZINC001164439514 1026514586 /nfs/dbraw/zinc/51/45/86/1026514586.db2.gz QQTHOPFVJLMNFO-UHFFFAOYSA-N 1 0 376.838 3.648 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672867 1026528514 /nfs/dbraw/zinc/52/85/14/1026528514.db2.gz KJGFFFUSQOAJTO-UHFFFAOYSA-N 1 0 379.504 3.985 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(C)nc3cc(C)ccn31)[C@H]2CC ZINC001139677298 1026532906 /nfs/dbraw/zinc/53/29/06/1026532906.db2.gz FDQDOIAOGLMWCE-REWPJTCUSA-N 1 0 380.536 3.873 20 30 GHEDRO COC(=O)c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1CC#N ZINC001164499495 1026536543 /nfs/dbraw/zinc/53/65/43/1026536543.db2.gz RIHQVYOCWRVZLW-WWPVKYPJSA-N 1 0 389.499 3.862 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001139688451 1026540085 /nfs/dbraw/zinc/54/00/85/1026540085.db2.gz LVUBJRMQRVYHKN-SIKLNZKXSA-N 1 0 397.906 3.947 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CCC[C@@]4(CCC(=O)N4Cc4ccncc4)C3)c[nH]c21 ZINC001139701486 1026547512 /nfs/dbraw/zinc/54/75/12/1026547512.db2.gz NAYDYXPXWMWYTE-XMMPIXPASA-N 1 0 399.498 3.592 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)c[nH]c21 ZINC001139705286 1026549590 /nfs/dbraw/zinc/54/95/90/1026549590.db2.gz OUMQULQXVISABI-NFBKMPQASA-N 1 0 379.504 3.695 20 30 GHEDRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4c[nH]c5c4cccc5C#N)C3)CC2=O)cc1 ZINC001139705512 1026550993 /nfs/dbraw/zinc/55/09/93/1026550993.db2.gz TUEGVRWTDCOJEZ-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1C#N ZINC001139725402 1026568780 /nfs/dbraw/zinc/56/87/80/1026568780.db2.gz OAXDIWSVFKSIAL-VWLOTQADSA-N 1 0 396.494 3.998 20 30 GHEDRO Cc1nc(N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnc1C#N ZINC001165138684 1026630196 /nfs/dbraw/zinc/63/01/96/1026630196.db2.gz AILGPBBERHXQMO-JOCHJYFZSA-N 1 0 383.499 3.938 20 30 GHEDRO Cc1cc(N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C#N)n1 ZINC001165141782 1026631835 /nfs/dbraw/zinc/63/18/35/1026631835.db2.gz XFTJTJYGKDNEER-QFIPXVFZSA-N 1 0 383.499 3.938 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(C2(C#N)CCOCC2)cn1 ZINC001165200972 1026662089 /nfs/dbraw/zinc/66/20/89/1026662089.db2.gz FCHIXFUZLIPSMT-PMACEKPBSA-N 1 0 390.531 3.753 20 30 GHEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165275424 1026689911 /nfs/dbraw/zinc/68/99/11/1026689911.db2.gz PRQRZULZQFSZKD-GOTSBHOMSA-N 1 0 396.494 3.854 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001139877469 1026692931 /nfs/dbraw/zinc/69/29/31/1026692931.db2.gz KUWSMAPDTFWCCP-NQIIRXRSSA-N 1 0 391.462 3.868 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@H]2CF)CC1 ZINC001139877448 1026692981 /nfs/dbraw/zinc/69/29/81/1026692981.db2.gz KHNBKDWDAKCKAL-SJLPKXTDSA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)nc1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165305504 1026699204 /nfs/dbraw/zinc/69/92/04/1026699204.db2.gz MNGZHFRLFSOXSE-NSHDSACASA-N 1 0 379.213 3.913 20 30 GHEDRO N#C[C@H](c1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nn1)c1ccccc1F ZINC001165323571 1026704733 /nfs/dbraw/zinc/70/47/33/1026704733.db2.gz LTEGSJIUANLATH-RXVVDRJESA-N 1 0 379.483 3.630 20 30 GHEDRO N#Cc1cnc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001165480808 1026742728 /nfs/dbraw/zinc/74/27/28/1026742728.db2.gz PPROEHNEDVDDNZ-YLJYHZDGSA-N 1 0 386.858 3.795 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccccc1-c1cncnc1)CC2 ZINC001140020342 1026804300 /nfs/dbraw/zinc/80/43/00/1026804300.db2.gz UFAGFRXEVFJFOC-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccccc1-n1ccnc1C)CC2 ZINC001140024165 1026810151 /nfs/dbraw/zinc/81/01/51/1026810151.db2.gz ASRGMLKCRPMYGO-QHCPKHFHSA-N 1 0 378.520 3.714 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CC3)NC(=O)C[C@@H]4c3ccccc3)c2c1 ZINC001140113456 1026895018 /nfs/dbraw/zinc/89/50/18/1026895018.db2.gz FZHXNJIVVWXWNP-OAQYLSRUSA-N 1 0 384.483 3.678 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC(c4noc(C(F)(F)F)n4)CC3)c2c1 ZINC001140114923 1026897185 /nfs/dbraw/zinc/89/71/85/1026897185.db2.gz GCPIZWMANSIYEX-UHFFFAOYSA-N 1 0 375.354 3.821 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)c(F)c1 ZINC001140138034 1026912349 /nfs/dbraw/zinc/91/23/49/1026912349.db2.gz DBDIRDBHLMOQGC-UHFFFAOYSA-N 1 0 392.478 3.611 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)C(=O)/C=C/c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001140217483 1026994672 /nfs/dbraw/zinc/99/46/72/1026994672.db2.gz MUEZKGWEDSTXLB-UPKKBRNCSA-N 1 0 388.870 3.523 20 30 GHEDRO Cc1cc(C)[nH+]c(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001166454634 1027005528 /nfs/dbraw/zinc/00/55/28/1027005528.db2.gz ZTCBKZKNQPTUGL-HSZRJFAPSA-N 1 0 376.504 3.694 20 30 GHEDRO Cc1cccc(C#N)c1SCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001166746568 1027072819 /nfs/dbraw/zinc/07/28/19/1027072819.db2.gz TUAMXSICLWEMNO-UHFFFAOYSA-N 1 0 379.529 3.871 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840086326 1027163627 /nfs/dbraw/zinc/16/36/27/1027163627.db2.gz MKHQIYHZXVRUCA-JOCHJYFZSA-N 1 0 397.592 3.951 20 30 GHEDRO C[NH+]1CCN(CCNc2ccc(Nc3cccc4c(C#N)cccc34)cn2)CC1 ZINC001209818089 1027215312 /nfs/dbraw/zinc/21/53/12/1027215312.db2.gz NNLPTELVBYZHKL-UHFFFAOYSA-N 1 0 386.503 3.509 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)[C@@H](O)C(F)(F)F ZINC001203352380 1027288048 /nfs/dbraw/zinc/28/80/48/1027288048.db2.gz UUMKOWOWWOLSFP-XROYCOCOSA-N 1 0 399.253 3.960 20 30 GHEDRO C=C(CNC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC001141793167 1027298271 /nfs/dbraw/zinc/29/82/71/1027298271.db2.gz GHHNPHKCTJQSGO-UHFFFAOYSA-N 1 0 383.923 3.682 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001210221105 1027389280 /nfs/dbraw/zinc/38/92/80/1027389280.db2.gz KANWLGLQQKDQLB-INIZCTEOSA-N 1 0 391.562 3.576 20 30 GHEDRO C#CCC[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC001203536167 1027414230 /nfs/dbraw/zinc/41/42/30/1027414230.db2.gz HCIFEODOIHMJPW-SFHVURJKSA-N 1 0 388.305 3.892 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1nc(Cc2ccc(Br)cc2)cs1 ZINC001141870367 1027517439 /nfs/dbraw/zinc/51/74/39/1027517439.db2.gz AXOWIMVFBUGBMR-UHFFFAOYSA-N 1 0 380.311 3.553 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC001141874480 1027531400 /nfs/dbraw/zinc/53/14/00/1027531400.db2.gz WQNAYWBFVOLTSD-UHFFFAOYSA-N 1 0 394.422 3.681 20 30 GHEDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC001203749706 1027572772 /nfs/dbraw/zinc/57/27/72/1027572772.db2.gz ASICPIDKIFNZTI-CFHLNLSMSA-N 1 0 375.284 3.778 20 30 GHEDRO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc1C ZINC001203898381 1027692464 /nfs/dbraw/zinc/69/24/64/1027692464.db2.gz FDRLQBLJKWFGCK-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001203901459 1027694617 /nfs/dbraw/zinc/69/46/17/1027694617.db2.gz DHNZNWBYYKSTDU-UHFFFAOYSA-N 1 0 387.439 3.601 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccc(C#N)cc2)CC3)cs1 ZINC001203903221 1027696934 /nfs/dbraw/zinc/69/69/34/1027696934.db2.gz AUCHGYNKVNJGPU-FQEVSTJZSA-N 1 0 383.517 3.664 20 30 GHEDRO CSc1nc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)ccc1C#N ZINC001141937238 1027706486 /nfs/dbraw/zinc/70/64/86/1027706486.db2.gz RXYHJKHBXBMUAO-UHFFFAOYSA-N 1 0 382.533 3.756 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OC(C)=O)cc3)C2)CC1 ZINC001203946094 1027739652 /nfs/dbraw/zinc/73/96/52/1027739652.db2.gz XBAWRHBGOHDWEE-UHFFFAOYSA-N 1 0 386.492 3.613 20 30 GHEDRO Fc1cnc(O[C@H]2CC[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C2)nc1 ZINC001141978001 1027793758 /nfs/dbraw/zinc/79/37/58/1027793758.db2.gz WLMBTZHQNDNOPQ-SFHVURJKSA-N 1 0 379.460 3.730 20 30 GHEDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141978020 1027793980 /nfs/dbraw/zinc/79/39/80/1027793980.db2.gz XJKNSOYVOSAOPZ-HXUWFJFHSA-N 1 0 396.556 3.607 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC001461287395 1069482344 /nfs/dbraw/zinc/48/23/44/1069482344.db2.gz UJNQEUSVNCECRU-UHFFFAOYSA-N 1 0 390.955 3.724 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(O)c(OCC)c3)CC2)C1 ZINC001204128026 1027901287 /nfs/dbraw/zinc/90/12/87/1027901287.db2.gz RPTKHYDXAZXRJI-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO Cc1cc(Cl)cc(-c2noc([C@@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)c1 ZINC001211379855 1027931139 /nfs/dbraw/zinc/93/11/39/1027931139.db2.gz PRBHRGZOUHFTHY-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C[C@H]2CCOC2)cc1OC ZINC001461335475 1069505765 /nfs/dbraw/zinc/50/57/65/1069505765.db2.gz ZMHZAQYZXGQZMS-UONOGXRCSA-N 1 0 384.314 3.927 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1 ZINC001142201169 1028347846 /nfs/dbraw/zinc/34/78/46/1028347846.db2.gz XJKRMKLCSGVVRV-UHFFFAOYSA-N 1 0 392.503 3.621 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000841368206 1028510440 /nfs/dbraw/zinc/51/04/40/1028510440.db2.gz FTNMLTBFHGWCRS-LEBWJFOGSA-N 1 0 389.499 3.706 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000841595287 1028754916 /nfs/dbraw/zinc/75/49/16/1028754916.db2.gz FOINLBHDGIMHAH-FQEVSTJZSA-N 1 0 389.503 3.509 20 30 GHEDRO C=C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1ccccc1 ZINC001142411312 1028835882 /nfs/dbraw/zinc/83/58/82/1028835882.db2.gz MDEXBKDAXOBSTM-DNVJHFABSA-N 1 0 378.516 3.610 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001215272987 1029125372 /nfs/dbraw/zinc/12/53/72/1029125372.db2.gz CLRFTIRAJLMXSZ-OALUTQOASA-N 1 0 391.515 3.977 20 30 GHEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)ccc1S(=O)(=O)C(F)F ZINC000842884247 1029661999 /nfs/dbraw/zinc/66/19/99/1029661999.db2.gz JNKLWODTKWHCBN-ZDUSSCGKSA-N 1 0 394.443 3.608 20 30 GHEDRO COC(=O)Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC001142908488 1029671478 /nfs/dbraw/zinc/67/14/78/1029671478.db2.gz CLKXSZAYKAVJHY-UHFFFAOYSA-N 1 0 398.890 3.971 20 30 GHEDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)cc1 ZINC001142926524 1029702623 /nfs/dbraw/zinc/70/26/23/1029702623.db2.gz UEADEMUGBSFKCU-UHFFFAOYSA-N 1 0 388.471 3.538 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@]4(C3)c3ccccc3N(CC3CC3)C4=O)c[nH]c2c1 ZINC001142928657 1029709722 /nfs/dbraw/zinc/70/97/22/1029709722.db2.gz GIACQSIMFYLQKW-VWLOTQADSA-N 1 0 396.494 3.940 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1=O ZINC001142968631 1029736319 /nfs/dbraw/zinc/73/63/19/1029736319.db2.gz LZFLHTSUHXXZAJ-JOCHJYFZSA-N 1 0 396.922 3.798 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 ZINC001461591916 1069627000 /nfs/dbraw/zinc/62/70/00/1069627000.db2.gz DCVNPXOSLIMHKL-RBUKOAKNSA-N 1 0 386.540 3.818 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001221986507 1029917708 /nfs/dbraw/zinc/91/77/08/1029917708.db2.gz HBQJBDKZEQFVGQ-HXUWFJFHSA-N 1 0 393.531 3.915 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001221992966 1029923287 /nfs/dbraw/zinc/92/32/87/1029923287.db2.gz NHKLDXQHSUIJMB-QFIPXVFZSA-N 1 0 391.515 3.553 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC001217008257 1030080478 /nfs/dbraw/zinc/08/04/78/1030080478.db2.gz OHTDZHSUNGHMOA-QWHCGFSZSA-N 1 0 384.402 3.841 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2cnn(CC[NH+]3CCCC3)c2)cc1 ZINC001222506083 1030172679 /nfs/dbraw/zinc/17/26/79/1030172679.db2.gz VSLIWTVPPXZAMS-NWJPQEHXSA-N 1 0 386.565 3.917 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC001461626333 1069646070 /nfs/dbraw/zinc/64/60/70/1069646070.db2.gz DCKPGXORXQHDCB-HNNXBMFYSA-N 1 0 397.357 3.985 20 30 GHEDRO C=CC[C@H]1N(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCCC1(C)C ZINC001222661512 1030265628 /nfs/dbraw/zinc/26/56/28/1030265628.db2.gz WPEQAOWZKPMLRV-JOCHJYFZSA-N 1 0 398.595 3.710 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1OCc1nc(-c2ccccc2OCc2ccccc2)no1 ZINC001217831896 1030658402 /nfs/dbraw/zinc/65/84/02/1030658402.db2.gz LZHUPXDWORWCFJ-FQEVSTJZSA-N 1 0 377.444 3.750 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CCC[NH2+]C[C@@H]2C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001217996513 1030712819 /nfs/dbraw/zinc/71/28/19/1030712819.db2.gz SZBIOVYUGAEGMI-RJPQJGKWSA-N 1 0 397.471 3.769 20 30 GHEDRO COc1cc(O[C@H]2CC[NH2+]CC[C@@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218016209 1030725037 /nfs/dbraw/zinc/72/50/37/1030725037.db2.gz CQENPVVISSIAMO-XAELZLHLSA-N 1 0 385.435 3.766 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[NH2+]CC[C@H]2C)c1OC ZINC001218044265 1030740098 /nfs/dbraw/zinc/74/00/98/1030740098.db2.gz RVMVHUBZFXWEHY-UQHBIEHQSA-N 1 0 397.471 3.682 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC001218047906 1030740966 /nfs/dbraw/zinc/74/09/66/1030740966.db2.gz KNYYTFOBJCWGOS-GAVBFIELSA-N 1 0 397.471 3.738 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3CC[NH2+]C[C@H]3F)c2)cc1OC ZINC001218072897 1030756483 /nfs/dbraw/zinc/75/64/83/1030756483.db2.gz TYTFZGYTKMLOMW-PBWKXKNASA-N 1 0 385.435 3.679 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(O[C@H]2CCC23CC[NH2+]CC3)c1 ZINC001218080147 1030760429 /nfs/dbraw/zinc/76/04/29/1030760429.db2.gz BPWHIRHDKCYIJV-OCBOALCKSA-N 1 0 393.439 3.625 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090866 1030765739 /nfs/dbraw/zinc/76/57/39/1030765739.db2.gz IYFOFJSLHVCZAH-KPNAKWIJSA-N 1 0 391.515 3.841 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)c(C(C)(C)C)cc3O)C2)C1=O ZINC001276923455 1030768960 /nfs/dbraw/zinc/76/89/60/1030768960.db2.gz ZNBQMWNYYULDJE-OAQYLSRUSA-N 1 0 376.928 3.954 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c1 ZINC001218112176 1030777280 /nfs/dbraw/zinc/77/72/80/1030777280.db2.gz OGRHQCASTHIIQZ-ARAPHVRHSA-N 1 0 379.456 3.729 20 30 GHEDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](O/C(=N\O)c2ccccc2Br)C1 ZINC001223885722 1030788628 /nfs/dbraw/zinc/78/86/28/1030788628.db2.gz IFLHOBQVOGPZGF-UTANNTRKSA-N 1 0 390.281 3.832 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)c2C1=O ZINC001218136578 1030791577 /nfs/dbraw/zinc/79/15/77/1030791577.db2.gz WGFHCFGTERHACJ-BJWYYQGGSA-N 1 0 381.472 3.821 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccsc3Br)CC2)C1=O ZINC001276774108 1030801710 /nfs/dbraw/zinc/80/17/10/1030801710.db2.gz IWAORNPPNHOSJT-KRWDZBQOSA-N 1 0 383.355 3.901 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218187366 1030812925 /nfs/dbraw/zinc/81/29/25/1030812925.db2.gz XPCJXYVEXSGRCH-ITGXOCJCSA-N 1 0 391.515 3.982 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc2c(c1)occ(-c1ccc([N+](=O)[O-])cc1)c2=O ZINC001218208252 1030831725 /nfs/dbraw/zinc/83/17/25/1030831725.db2.gz ZBKAGXBYMLSSQP-HXUWFJFHSA-N 1 0 378.384 3.665 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1CCC2(C[NH2+]C2)C1 ZINC001218240005 1030846389 /nfs/dbraw/zinc/84/63/89/1030846389.db2.gz YAEGNDYUUAERDQ-IIAXPCCRSA-N 1 0 391.515 3.841 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001224168294 1030908836 /nfs/dbraw/zinc/90/88/36/1030908836.db2.gz JKGJNFAFEXEVSM-HTAPYJJXSA-N 1 0 378.472 3.772 20 30 GHEDRO COc1cc(O)cc(O[C@H]2C[NH2+]CCC23CC3)c1C(=O)/C=C/c1ccccc1 ZINC001218404311 1030922901 /nfs/dbraw/zinc/92/29/01/1030922901.db2.gz MWXLIRQYDWWTDK-CQQBXOTJSA-N 1 0 379.456 3.818 20 30 GHEDRO C=C(C)C[C@@H](Oc1c(C(=O)OCC)cnc2cc(C3CC[NH2+]CC3)nn21)C(=C)C ZINC001218436911 1030936019 /nfs/dbraw/zinc/93/60/19/1030936019.db2.gz STAUYEIFWWZVMI-LJQANCHMSA-N 1 0 398.507 3.663 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218463639 1030948274 /nfs/dbraw/zinc/94/82/74/1030948274.db2.gz IQPKRJNCOHMLHJ-USCRMFRISA-N 1 0 379.456 3.674 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)c1ccc(OC(F)(F)C(F)F)cc1)C[NH2+]CC2 ZINC001218554236 1030985799 /nfs/dbraw/zinc/98/57/99/1030985799.db2.gz XCXLWIMQANTZBW-UHFFFAOYSA-N 1 0 399.369 3.754 20 30 GHEDRO N#Cc1ncc(NC(=O)C2=CC3(CC[NH2+]CC3)c3ccccc32)cc1C(F)(F)F ZINC001218658534 1031022913 /nfs/dbraw/zinc/02/29/13/1031022913.db2.gz GAXOTVOUOPFSBC-UHFFFAOYSA-N 1 0 398.388 3.629 20 30 GHEDRO N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2ccn3cc(-c4ccccc4)nc3c2)cc1 ZINC001218752528 1031066328 /nfs/dbraw/zinc/06/63/28/1031066328.db2.gz FCQFJKUKHCGNAO-HXUWFJFHSA-N 1 0 381.439 3.902 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)cc1C#N ZINC001218914426 1031149745 /nfs/dbraw/zinc/14/97/45/1031149745.db2.gz BNDFWMXUOOQZTH-QHCPKHFHSA-N 1 0 398.466 3.615 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001218951710 1031172521 /nfs/dbraw/zinc/17/25/21/1031172521.db2.gz RNRJYQJFBQRLLY-MRXNPFEDSA-N 1 0 384.361 3.634 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@H](c2ccco2)N2CCC([NH3+])CC2)c1 ZINC001219308650 1031349098 /nfs/dbraw/zinc/34/90/98/1031349098.db2.gz FBZMUEOIROZGOV-NRFANRHFSA-N 1 0 395.579 3.611 20 30 GHEDRO Cc1cc(C)cc(Oc2ccc(CNC(=O)NCC#CC[NH+](C)C)cc2C)c1 ZINC001225404690 1031388686 /nfs/dbraw/zinc/38/86/86/1031388686.db2.gz PZFBOPYKDXPWTN-UHFFFAOYSA-N 1 0 379.504 3.768 20 30 GHEDRO C=C(Br)CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001225431876 1031408079 /nfs/dbraw/zinc/40/80/79/1031408079.db2.gz GBCSWXLVJYDGFJ-CYBMUJFWSA-N 1 0 395.128 3.804 20 30 GHEDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)O2)CO1 ZINC001461773522 1069739526 /nfs/dbraw/zinc/73/95/26/1069739526.db2.gz FLNHPDIFQWAMQB-PUZWTLIVSA-N 1 0 392.499 3.953 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=O)c1cccc3c(C#N)c[nH]c31)CC21CC[NH2+]CC1 ZINC001219765352 1031607802 /nfs/dbraw/zinc/60/78/02/1031607802.db2.gz ZVMOVCZUFUDSPZ-OAQYLSRUSA-N 1 0 384.483 3.844 20 30 GHEDRO CCC[C@H](C)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC001225823301 1031632929 /nfs/dbraw/zinc/63/29/29/1031632929.db2.gz XPLFXZMOLJSXIP-CABYKGFESA-N 1 0 399.531 3.880 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC001220089679 1031780749 /nfs/dbraw/zinc/78/07/49/1031780749.db2.gz NZLPNRMKXHUNFU-AWEZNQCLSA-N 1 0 396.240 3.851 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H](CC#N)C(F)(F)F ZINC001220098265 1031783938 /nfs/dbraw/zinc/78/39/38/1031783938.db2.gz OXBUHOGCOUAKJP-RHSMWYFYSA-N 1 0 382.430 3.705 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N[C@@H](C[NH+](C)C)c3ccc(OC)cc3)cc2n1 ZINC001220157386 1031805362 /nfs/dbraw/zinc/80/53/62/1031805362.db2.gz IHBAFBAVNXNVDX-NRFANRHFSA-N 1 0 393.491 3.655 20 30 GHEDRO O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001220179660 1031820267 /nfs/dbraw/zinc/82/02/67/1031820267.db2.gz PRJJTAVQGZQQIK-OAQYLSRUSA-N 1 0 380.447 3.582 20 30 GHEDRO O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001220286488 1031880813 /nfs/dbraw/zinc/88/08/13/1031880813.db2.gz KNVBKQMNYMZGOY-SJORKVTESA-N 1 0 394.858 3.516 20 30 GHEDRO C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001154059461 1031903029 /nfs/dbraw/zinc/90/30/29/1031903029.db2.gz UULBJOBSWYBQPS-KRWDZBQOSA-N 1 0 389.499 3.513 20 30 GHEDRO CC1(C)CC(=O)C=C(NC(=O)C[C@@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001220414080 1031931211 /nfs/dbraw/zinc/93/12/11/1031931211.db2.gz WYFJPCBLJFNNIW-OAHLLOKOSA-N 1 0 384.495 3.714 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NC/C(=C/F)CCc1ccc(F)cc1 ZINC001220431886 1031938551 /nfs/dbraw/zinc/93/85/51/1031938551.db2.gz SIOZRLIYHSUUPV-MCBZGUROSA-N 1 0 395.453 3.603 20 30 GHEDRO [NH2+]=C(NC([O-])=C[C@@H]([NH3+])Cc1ccc2ccccc2c1)c1ccc2cc(O)ccc2c1 ZINC001220634037 1032032866 /nfs/dbraw/zinc/03/28/66/1032032866.db2.gz HBJOIUFIRLZKNJ-QFIPXVFZSA-N 1 0 397.478 3.891 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001226609487 1032039724 /nfs/dbraw/zinc/03/97/24/1032039724.db2.gz CSDBXSVCPYUWIA-AQNXPRMDSA-N 1 0 391.943 3.727 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001220663566 1032050143 /nfs/dbraw/zinc/05/01/43/1032050143.db2.gz IJRLUPHDJWSBBQ-HTAPYJJXSA-N 1 0 392.499 3.779 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001157166842 1033443876 /nfs/dbraw/zinc/44/38/76/1033443876.db2.gz BOIPLCZVWIOWPG-UHFFFAOYSA-N 1 0 384.483 3.702 20 30 GHEDRO O=C1C=CC(=O)c2c(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc(O)c21 ZINC001229406760 1033464010 /nfs/dbraw/zinc/46/40/10/1033464010.db2.gz CFRNFVDAHXDGEB-XGHQBKJUSA-N 1 0 389.451 3.617 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-n3cc(CC[NH3+])c4cc(O)ccc43)nn2)cc1 ZINC001157214975 1033475771 /nfs/dbraw/zinc/47/57/71/1033475771.db2.gz FRVPJNONUMABPR-FQEVSTJZSA-N 1 0 383.455 3.591 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1)Cc1cccc(C#N)n1 ZINC001205640133 1033506545 /nfs/dbraw/zinc/50/65/45/1033506545.db2.gz XIOVQYCJNOLLNK-UHFFFAOYSA-N 1 0 380.492 3.870 20 30 GHEDRO CCOC(=O)CCc1cccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001229517899 1033534730 /nfs/dbraw/zinc/53/47/30/1033534730.db2.gz JNEPRIUMIMWGOC-QFIPXVFZSA-N 1 0 378.472 3.707 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc2ccc(F)c(F)c2n1 ZINC001205710537 1033542603 /nfs/dbraw/zinc/54/26/03/1033542603.db2.gz FUEINVHJWQFZRG-UHFFFAOYSA-N 1 0 380.442 3.948 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cccc(F)c2I)no1 ZINC001206100002 1033718538 /nfs/dbraw/zinc/71/85/38/1033718538.db2.gz IGTZEYSORQUCGP-UHFFFAOYSA-N 1 0 399.207 3.589 20 30 GHEDRO N#CC1(CNC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CCC1 ZINC001230204764 1033942838 /nfs/dbraw/zinc/94/28/38/1033942838.db2.gz FKJIACCSGXTEGI-UHFFFAOYSA-N 1 0 380.536 3.911 20 30 GHEDRO CCN([C@H]1CCC[NH2+]C1)C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001158207445 1033964043 /nfs/dbraw/zinc/96/40/43/1033964043.db2.gz LIVSJANWCLPMKK-HNNXBMFYSA-N 1 0 391.853 3.792 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001158292788 1034009206 /nfs/dbraw/zinc/00/92/06/1034009206.db2.gz NOTHDJKWRXHIKD-UHFFFAOYSA-N 1 0 390.821 3.977 20 30 GHEDRO C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001207036290 1034063439 /nfs/dbraw/zinc/06/34/39/1034063439.db2.gz WOORPCYWZTYRIQ-FXAWDEMLSA-N 1 0 398.551 3.905 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1C#N ZINC001207106075 1034095464 /nfs/dbraw/zinc/09/54/64/1034095464.db2.gz IWVRKCJVZKIANK-UHFFFAOYSA-N 1 0 379.382 3.839 20 30 GHEDRO CCCOC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)c(Cl)c1 ZINC001230545728 1034114557 /nfs/dbraw/zinc/11/45/57/1034114557.db2.gz PTSANNHJGIICCE-HGXGPTJDSA-N 1 0 386.275 3.551 20 30 GHEDRO C=CCN(CC[N@H+]1CC[C@H](C(=O)OC)[C@@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC001207204756 1034172058 /nfs/dbraw/zinc/17/20/58/1034172058.db2.gz WZQRKYQIQILSFB-OALUTQOASA-N 1 0 388.508 3.646 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001207216983 1034185864 /nfs/dbraw/zinc/18/58/64/1034185864.db2.gz XSZSNSILQHKGJW-QUCCMNQESA-N 1 0 385.508 3.658 20 30 GHEDRO N#Cc1nc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)ccc1Cl ZINC001158668728 1034222643 /nfs/dbraw/zinc/22/26/43/1034222643.db2.gz DNRCHUGGJBFMQK-UHFFFAOYSA-N 1 0 380.757 3.950 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)(C1)C2 ZINC001207273199 1034230128 /nfs/dbraw/zinc/23/01/28/1034230128.db2.gz OFKBCFYYCXXZNU-YUVSOPLDSA-N 1 0 397.519 3.849 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001207324599 1034274012 /nfs/dbraw/zinc/27/40/12/1034274012.db2.gz RCBMIOHYLJJVBD-KRWDZBQOSA-N 1 0 381.314 3.758 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](C[C@H]3CCOC(C)(C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001207356224 1034300177 /nfs/dbraw/zinc/30/01/77/1034300177.db2.gz VEYGAQQDHGGZIH-LEEZEASISA-N 1 0 382.548 3.696 20 30 GHEDRO C[C@H]1Cc2cc(Br)ccc2CN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001158902677 1034327263 /nfs/dbraw/zinc/32/72/63/1034327263.db2.gz LNLYXCLKMZQMGG-ZDUSSCGKSA-N 1 0 397.320 3.703 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(Br)cc(F)c(C)c3F)C2)C1=O ZINC001276528996 1034333744 /nfs/dbraw/zinc/33/37/44/1034333744.db2.gz ABUXIJDNKVUUPO-SFHVURJKSA-N 1 0 399.279 3.646 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCCc4ccccc4F)C3)CC2=O)c1 ZINC001207493234 1034397844 /nfs/dbraw/zinc/39/78/44/1034397844.db2.gz JWLOCRLXWXCGJK-HSZRJFAPSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](CCc4ccccc4F)C3)C2)c1 ZINC001207500629 1034405928 /nfs/dbraw/zinc/40/59/28/1034405928.db2.gz TYXGSVOJYMKLMJ-DEOSSOPVSA-N 1 0 393.506 3.859 20 30 GHEDRO COc1c(Br)cc(F)cc1Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001159159828 1034458351 /nfs/dbraw/zinc/45/83/51/1034458351.db2.gz PWUDCOWJRXBINV-UHFFFAOYSA-N 1 0 382.258 3.919 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(-c4cccs4)cc3)CC2)C1=O ZINC001231428532 1034576029 /nfs/dbraw/zinc/57/60/29/1034576029.db2.gz BPRSBZNZZIJMAV-UHFFFAOYSA-N 1 0 395.572 3.710 20 30 GHEDRO COc1cc(C(F)(F)NC2CC(C)(C)[NH+](C)C(C)(C)C2)c(C#N)c(Cl)n1 ZINC001159397902 1034580667 /nfs/dbraw/zinc/58/06/67/1034580667.db2.gz SUMCTDVPNUMBPX-UHFFFAOYSA-N 1 0 386.874 3.906 20 30 GHEDRO CN(C)c1ccc2cc(C[N@@H+]3CCCN(c4ccc(C#N)cn4)CC3)ccc2c1 ZINC001231443026 1034591893 /nfs/dbraw/zinc/59/18/93/1034591893.db2.gz ZNVHVOXOEMKYRX-UHFFFAOYSA-N 1 0 385.515 3.885 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1)c1cccnc1 ZINC001231577788 1034727987 /nfs/dbraw/zinc/72/79/87/1034727987.db2.gz BYCUTHSUVWYSFH-UHFFFAOYSA-N 1 0 395.506 3.876 20 30 GHEDRO N#Cc1cc(Nc2ccc(OCc3ccccc3)nc2)ccc1N1CC[NH2+]CC1 ZINC001159742467 1034731404 /nfs/dbraw/zinc/73/14/04/1034731404.db2.gz CFVIMNHTNULMKR-UHFFFAOYSA-N 1 0 385.471 3.685 20 30 GHEDRO COc1cc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)c(F)c(F)c1Cl ZINC001159749017 1034732176 /nfs/dbraw/zinc/73/21/76/1034732176.db2.gz VGHCYWJNKAYTSD-UHFFFAOYSA-N 1 0 378.810 3.652 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001208118817 1034746513 /nfs/dbraw/zinc/74/65/13/1034746513.db2.gz OZVQPDLIOWTVKS-NYEAOQTCSA-N 1 0 380.573 3.631 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)CC1 ZINC001208171271 1034771848 /nfs/dbraw/zinc/77/18/48/1034771848.db2.gz SAPOYCVMIAPBQD-UGESXGAOSA-N 1 0 381.520 3.802 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CCN(C(=O)c4cnccn4)C3)CC2)CC1 ZINC001208174716 1034772347 /nfs/dbraw/zinc/77/23/47/1034772347.db2.gz ILABEYOONKSCON-HXUWFJFHSA-N 1 0 380.536 3.707 20 30 GHEDRO N#Cc1c(NCc2cc(-c3cccc(Cl)c3)no2)ncc2c1CCC[NH2+]C2 ZINC001159882252 1034772517 /nfs/dbraw/zinc/77/25/17/1034772517.db2.gz GTANRRNMTRRUDA-UHFFFAOYSA-N 1 0 379.851 3.910 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC001231620469 1034777388 /nfs/dbraw/zinc/77/73/88/1034777388.db2.gz BQXNVNRQYIHWSH-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC001231622809 1034780961 /nfs/dbraw/zinc/78/09/61/1034780961.db2.gz JFYMYZAQTYXRTA-XZOQPEGZSA-N 1 0 380.488 3.849 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)c1 ZINC001231623115 1034782554 /nfs/dbraw/zinc/78/25/54/1034782554.db2.gz USKPHZJABXZNCF-UHFFFAOYSA-N 1 0 391.515 3.775 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(Cl)cc(OC)cc1OC)C2 ZINC001231698239 1034846988 /nfs/dbraw/zinc/84/69/88/1034846988.db2.gz PUFOZANLCLCIBH-LEWJYISDSA-N 1 0 395.927 3.931 20 30 GHEDRO N#Cc1cc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)ccc1OC1CCOCC1 ZINC001160217522 1034904297 /nfs/dbraw/zinc/90/42/97/1034904297.db2.gz MHXDAUQPONCQMQ-JOCHJYFZSA-N 1 0 393.487 3.990 20 30 GHEDRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231818725 1034927176 /nfs/dbraw/zinc/92/71/76/1034927176.db2.gz DSISCAJKFLHHRH-NRFANRHFSA-N 1 0 385.552 3.692 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)c1ccccc1N(CC(C)C)C2=O ZINC001160287058 1034928356 /nfs/dbraw/zinc/92/83/56/1034928356.db2.gz UERCFJHDNZTUKO-RDPSFJRHSA-N 1 0 397.563 3.623 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231821043 1034929240 /nfs/dbraw/zinc/92/92/40/1034929240.db2.gz OBVQPNRXJHHOJX-PKOBYXMFSA-N 1 0 386.540 3.772 20 30 GHEDRO N#Cc1ccc(N2CCCN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)nc1 ZINC001208588844 1034944455 /nfs/dbraw/zinc/94/44/55/1034944455.db2.gz LTXGLSVFIIATEO-HSZRJFAPSA-N 1 0 389.547 3.520 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3F)C2)C1=O ZINC001231856817 1034945592 /nfs/dbraw/zinc/94/55/92/1034945592.db2.gz AAIZPLIDOGDVNR-SFHVURJKSA-N 1 0 388.380 3.984 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC3CCCCC3)nc1)CC2 ZINC001231871100 1034957533 /nfs/dbraw/zinc/95/75/33/1034957533.db2.gz CYQIUXYSBHUFBG-UHFFFAOYSA-N 1 0 383.536 3.936 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(CN3CC(C)(C#N)C3)CC2)cc1 ZINC001208815138 1035036420 /nfs/dbraw/zinc/03/64/20/1035036420.db2.gz JUJWCLGXJVZBFR-UHFFFAOYSA-N 1 0 383.536 3.699 20 30 GHEDRO CCCCN(CC#N)C(=O)C[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC001160728436 1035045150 /nfs/dbraw/zinc/04/51/50/1035045150.db2.gz DDMOTGPTWRPKQA-NRFANRHFSA-N 1 0 379.504 3.678 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](CCCc3ccccc3Br)CC2)nc1 ZINC001208845405 1035054385 /nfs/dbraw/zinc/05/43/85/1035054385.db2.gz LTKLEOLCFYUBMJ-UHFFFAOYSA-N 1 0 399.336 3.861 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CCCc3cccc(C#N)c3)C[C@@H]12 ZINC001208852730 1035059009 /nfs/dbraw/zinc/05/90/09/1035059009.db2.gz RPHZKAOMUOIBMG-JWQCQUIFSA-N 1 0 387.527 3.755 20 30 GHEDRO N#Cc1c2c(cnc1-n1cc(C[NH3+])c3ccc(Br)cc31)CCCC2 ZINC001160759143 1035060273 /nfs/dbraw/zinc/06/02/73/1035060273.db2.gz DCHMJCXTXLFSOL-UHFFFAOYSA-N 1 0 381.277 3.997 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1 ZINC001208860506 1035063497 /nfs/dbraw/zinc/06/34/97/1035063497.db2.gz NNIJTSBDWNEHDA-UHFFFAOYSA-N 1 0 383.499 3.770 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001208863554 1035065983 /nfs/dbraw/zinc/06/59/83/1035065983.db2.gz HKYSXHUCSAWSPB-KRWDZBQOSA-N 1 0 390.409 3.843 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)nccc3OC)CC2)C1=O ZINC001277612881 1035095941 /nfs/dbraw/zinc/09/59/41/1035095941.db2.gz ZEEVCUNZGDFUMK-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)cc1Cl ZINC001232114264 1035103815 /nfs/dbraw/zinc/10/38/15/1035103815.db2.gz GCJVTVFAOFWBPE-IBGZPJMESA-N 1 0 379.891 3.707 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]C2)C1 ZINC001160993996 1035114378 /nfs/dbraw/zinc/11/43/78/1035114378.db2.gz IQAZBHHNVWMGRP-NZQKXSOJSA-N 1 0 387.527 3.734 20 30 GHEDRO [NH3+][C@H](CC(=O)N1CCC(C#Cc2ccccc2)CC1)Cc1ccc(F)c(F)c1 ZINC001161150587 1035159829 /nfs/dbraw/zinc/15/98/29/1035159829.db2.gz KOABHNUREDBLNT-FQEVSTJZSA-N 1 0 382.454 3.515 20 30 GHEDRO CCCCCCC[C@@H](C)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197827 1035176911 /nfs/dbraw/zinc/17/69/11/1035176911.db2.gz FUGDUIVFYNXACB-OAQYLSRUSA-N 1 0 395.632 3.534 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)C2)cc1 ZINC001161324903 1035208732 /nfs/dbraw/zinc/20/87/32/1035208732.db2.gz UIOHFDNBVCQCHB-VJBWXMMDSA-N 1 0 389.499 3.811 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC001161414146 1035226445 /nfs/dbraw/zinc/22/64/45/1035226445.db2.gz XHGLASAXWKGYPN-UHFFFAOYSA-N 1 0 382.533 3.979 20 30 GHEDRO C#CCCC[NH+]1CCC(c2cc3c(ncn3C(C)C)c(N(C)CCOC)n2)CC1 ZINC001209266407 1035226968 /nfs/dbraw/zinc/22/69/68/1035226968.db2.gz YDIZALXZRBSVSG-UHFFFAOYSA-N 1 0 397.567 3.688 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)nc1Cl ZINC001161432706 1035230201 /nfs/dbraw/zinc/23/02/01/1035230201.db2.gz YDBVBSIJHUANOL-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)cc2)C1 ZINC001209329983 1035243042 /nfs/dbraw/zinc/24/30/42/1035243042.db2.gz MUHNXRYOBKLYQU-RKVPGOIHSA-N 1 0 396.457 3.808 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 ZINC001209436635 1035273923 /nfs/dbraw/zinc/27/39/23/1035273923.db2.gz XJGIAIAWMGMAAR-OALUTQOASA-N 1 0 392.565 3.669 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(F)cc3C(F)(F)F)no2)cc1 ZINC001248155128 1035581279 /nfs/dbraw/zinc/58/12/79/1035581279.db2.gz IDBHYGFTENOONM-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)no2)c1 ZINC001248155901 1035581584 /nfs/dbraw/zinc/58/15/84/1035581584.db2.gz UZVPWFZFUFJOQG-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cc(C(F)(F)F)ccc3F)no2)c1 ZINC001248156084 1035582759 /nfs/dbraw/zinc/58/27/59/1035582759.db2.gz ZZTAMKFBCRIVSR-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO C=CC[N@@H+](Cc1cc(I)cc(OC)c1O)C(C)(C)C ZINC001248408798 1035825310 /nfs/dbraw/zinc/82/53/10/1035825310.db2.gz AYLHPZOGUPIYKR-UHFFFAOYSA-N 1 0 375.250 3.792 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 ZINC001248750466 1036108292 /nfs/dbraw/zinc/10/82/92/1036108292.db2.gz KSACXPPOZJVHNW-DQEYMECFSA-N 1 0 387.527 3.885 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1-c1nc2ccccc2nc1[C@H](C#N)C(=O)OC ZINC001243338151 1036118873 /nfs/dbraw/zinc/11/88/73/1036118873.db2.gz CFDYSDOXBWVILC-SFHVURJKSA-N 1 0 388.471 3.919 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1[nH]nc3cc(C(F)(F)F)ccc31)C2 ZINC001248846379 1036200314 /nfs/dbraw/zinc/20/03/14/1036200314.db2.gz VOUVQKLLEVUSLC-DNVCBOLYSA-N 1 0 395.425 3.908 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1[nH]nc3cc(C(F)(F)F)ccc31)C2 ZINC001248846378 1036201217 /nfs/dbraw/zinc/20/12/17/1036201217.db2.gz VOUVQKLLEVUSLC-BEFAXECRSA-N 1 0 395.425 3.908 20 30 GHEDRO COc1cccc(C2CC([NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)c1 ZINC001462094370 1069991131 /nfs/dbraw/zinc/99/11/31/1069991131.db2.gz WPYZLFOVYXGTFG-AJTFCVKESA-N 1 0 375.472 3.598 20 30 GHEDRO N#CC1(c2ccccc2-c2ccc(OC(F)(F)F)c(CO)c2)CC[NH2+]CC1 ZINC001244646368 1036582908 /nfs/dbraw/zinc/58/29/08/1036582908.db2.gz ADRJRHCSAKIYSV-UHFFFAOYSA-N 1 0 376.378 3.889 20 30 GHEDRO N#CCc1ccc(OCc2ccc(C3=CC[C@H]([NH+]4CCOCC4)CC3)nc2)cc1 ZINC001245418280 1036915884 /nfs/dbraw/zinc/91/58/84/1036915884.db2.gz IVQARLKRFKAGIS-QFIPXVFZSA-N 1 0 389.499 3.995 20 30 GHEDRO CCCCCCCCCCCCN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N(C)C ZINC001278420779 1037055220 /nfs/dbraw/zinc/05/52/20/1037055220.db2.gz SVWZVPZZUMJHGO-BGYRXZFFSA-N 1 0 387.634 3.862 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246029251 1037146032 /nfs/dbraw/zinc/14/60/32/1037146032.db2.gz APSBZMZWRPEDHB-XPWALMASSA-N 1 0 398.632 3.595 20 30 GHEDRO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246302621 1037284119 /nfs/dbraw/zinc/28/41/19/1037284119.db2.gz DPWNJZULUBZKGQ-ACJLOTCBSA-N 1 0 388.886 3.756 20 30 GHEDRO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246532395 1037465917 /nfs/dbraw/zinc/46/59/17/1037465917.db2.gz ZFYXZSCHQWYFDC-UNMCSNQZSA-N 1 0 378.495 3.621 20 30 GHEDRO Cc1nc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)sc1Br ZINC001462212262 1070086894 /nfs/dbraw/zinc/08/68/94/1070086894.db2.gz WTDXLJOYGMBSDI-UHFFFAOYSA-N 1 0 393.354 3.650 20 30 GHEDRO COc1ccc([C@@H]([NH3+])Cc2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)no2)cn1 ZINC001247261418 1038037903 /nfs/dbraw/zinc/03/79/03/1038037903.db2.gz KBHRHNVNMLCAKC-FQEVSTJZSA-N 1 0 397.438 3.921 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OCC)nc1C)CC2 ZINC001232307874 1038057929 /nfs/dbraw/zinc/05/79/29/1038057929.db2.gz JCEOUZNMYCJDBU-UHFFFAOYSA-N 1 0 387.524 3.789 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(Br)cc1C)CC2 ZINC001232315732 1038078444 /nfs/dbraw/zinc/07/84/44/1038078444.db2.gz FHPYDWOTDLPYDY-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@@H](c3cccs3)N3CC([NH3+])C3)n2)c(C#N)c1 ZINC001247324007 1038116578 /nfs/dbraw/zinc/11/65/78/1038116578.db2.gz KLZHCLUPHUNGME-GOSISDBHSA-N 1 0 393.516 3.700 20 30 GHEDRO C=CCOc1ccc(-c2noc([C@H](c3ccco3)N3CCC[C@@H]([NH3+])C3)n2)c(F)c1 ZINC001247325818 1038120851 /nfs/dbraw/zinc/12/08/51/1038120851.db2.gz CJESBQVPVGQAEK-KUHUBIRLSA-N 1 0 398.438 3.546 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(OC)cc1O ZINC001277666866 1038236945 /nfs/dbraw/zinc/23/69/45/1038236945.db2.gz WEWMGRANUYRGBT-FQEVSTJZSA-N 1 0 378.900 3.587 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccc(Br)c1N)C2 ZINC001232520955 1038284623 /nfs/dbraw/zinc/28/46/23/1038284623.db2.gz DYSBMHRFCAATFK-IBGZPJMESA-N 1 0 392.341 3.564 20 30 GHEDRO Cc1sc(C[N@@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)cc1Br ZINC001277680247 1038319333 /nfs/dbraw/zinc/31/93/33/1038319333.db2.gz WEYNRIQBXNXOLC-KRWDZBQOSA-N 1 0 396.354 3.547 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](Cc1nc(-c3ccc(C#N)cn3)no1)CC21CC[NH2+]CC1 ZINC001247832767 1038413447 /nfs/dbraw/zinc/41/34/47/1038413447.db2.gz DAUZUJZVGXZPHQ-KRWDZBQOSA-N 1 0 385.471 3.663 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3COC4(C3)CC[NH2+]CC4)n2)cc1Cl ZINC001247843663 1038419258 /nfs/dbraw/zinc/41/92/58/1038419258.db2.gz HXSODUZWIYDAFB-LLVKDONJSA-N 1 0 379.247 3.541 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(C4=NOC5(C4)CC[NH2+]CC5)n3)cc2)cc1 ZINC001247873897 1038439815 /nfs/dbraw/zinc/43/98/15/1038439815.db2.gz BNCQLOFRNRKVKO-UHFFFAOYSA-N 1 0 385.427 3.522 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@@H]3CO[C@@]4(C3)CCC[NH2+]CC4)n2)c(C#N)c1 ZINC001247934679 1038507957 /nfs/dbraw/zinc/50/79/57/1038507957.db2.gz ZWAOZNDRHCZCGP-AOMKIAJQSA-N 1 0 380.492 3.922 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)s1 ZINC001232843711 1038595136 /nfs/dbraw/zinc/59/51/36/1038595136.db2.gz VYWMDBFQFNJGRM-AZUAARDMSA-N 1 0 387.480 3.604 20 30 GHEDRO CC(C)(C)OC(=O)CC[NH+](CCC(=O)OC(C)(C)C)Cc1ccc(C#N)s1 ZINC001232844933 1038596415 /nfs/dbraw/zinc/59/64/15/1038596415.db2.gz GQFJOKGNFHICEA-UHFFFAOYSA-N 1 0 394.537 3.885 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]2CF)CC1 ZINC001232890180 1038674832 /nfs/dbraw/zinc/67/48/32/1038674832.db2.gz YUHIBUBOCHUNFQ-FUHWJXTLSA-N 1 0 391.462 3.772 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2ccc(Br)c(C#N)c2)cc1OC ZINC001232895527 1038686731 /nfs/dbraw/zinc/68/67/31/1038686731.db2.gz NZDAWDQWPNLFCG-UHFFFAOYSA-N 1 0 375.266 3.970 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)n1 ZINC001232925147 1038713279 /nfs/dbraw/zinc/71/32/79/1038713279.db2.gz NQVGTFOOLFNOMK-JOCHJYFZSA-N 1 0 386.499 3.529 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001277735480 1038713412 /nfs/dbraw/zinc/71/34/12/1038713412.db2.gz UNIRXWSJHJZXDK-AEFFLSMTSA-N 1 0 378.479 3.585 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c(C#N)c1 ZINC001232965118 1038739071 /nfs/dbraw/zinc/73/90/71/1038739071.db2.gz MKXYQXHJSSGAEH-YTFSRNRJSA-N 1 0 377.488 3.600 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c(C#N)c1 ZINC001232966143 1038739718 /nfs/dbraw/zinc/73/97/18/1038739718.db2.gz MKXYQXHJSSGAEH-DNVJHFABSA-N 1 0 377.488 3.600 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C#N)cc3C)O2)cs1 ZINC001233081569 1038850226 /nfs/dbraw/zinc/85/02/26/1038850226.db2.gz HCIKVKYGLLZCKD-BHDDXSALSA-N 1 0 397.544 3.970 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001233083545 1038856294 /nfs/dbraw/zinc/85/62/94/1038856294.db2.gz PHSQHECAQITFQN-MRXNPFEDSA-N 1 0 376.382 3.719 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC(N2CCC(C(=O)OCC)CC2)CC1 ZINC001252125166 1038870374 /nfs/dbraw/zinc/87/03/74/1038870374.db2.gz AZXGNVQTCQHGTN-QFIPXVFZSA-N 1 0 396.616 3.837 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001252125438 1038870791 /nfs/dbraw/zinc/87/07/91/1038870791.db2.gz DFSSNQDDGBQHKU-QFIPXVFZSA-N 1 0 390.616 3.962 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001252129286 1038882904 /nfs/dbraw/zinc/88/29/04/1038882904.db2.gz YQLITOMSBGTAKW-DXIQSLLYSA-N 1 0 394.531 3.944 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1C#N ZINC001233102664 1038883061 /nfs/dbraw/zinc/88/30/61/1038883061.db2.gz IZKKWOLJNBEYAJ-PZJWPPBQSA-N 1 0 392.522 3.717 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+]C[C@@H](O)COc2cccc3ccccc32)c1 ZINC001252399821 1038981421 /nfs/dbraw/zinc/98/14/21/1038981421.db2.gz XZPHDLCXHMIQCR-HXUWFJFHSA-N 1 0 376.456 3.510 20 30 GHEDRO C=CCOC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC001252494178 1039004836 /nfs/dbraw/zinc/00/48/36/1039004836.db2.gz WYDJHBZURVCLPQ-RBUKOAKNSA-N 1 0 376.294 3.692 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]CC1(c2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252579203 1039036276 /nfs/dbraw/zinc/03/62/76/1039036276.db2.gz JVMOTYQDGDYJGK-OAQYLSRUSA-N 1 0 392.515 3.621 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]C1(Cc2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583280 1039037909 /nfs/dbraw/zinc/03/79/09/1039037909.db2.gz HHBCMAPUUISTGH-NRFANRHFSA-N 1 0 392.515 3.665 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]C1(Cc2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583034 1039038695 /nfs/dbraw/zinc/03/86/95/1039038695.db2.gz BSTFYMWXBMDUHC-NRFANRHFSA-N 1 0 392.515 3.665 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001252599228 1039042782 /nfs/dbraw/zinc/04/27/82/1039042782.db2.gz YVUQXHQVDIVNIV-TZIWHRDSSA-N 1 0 396.575 3.893 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(OCOC)c1)CC2 ZINC001233279239 1039047966 /nfs/dbraw/zinc/04/79/66/1039047966.db2.gz WPPPCZKFCXJHGV-UHFFFAOYSA-N 1 0 388.508 3.670 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C[C@H](O)c3ccc(F)cc3)cc(C#N)c21 ZINC001252864431 1039219249 /nfs/dbraw/zinc/21/92/49/1039219249.db2.gz GDTULRCWNJRNMT-QKKBWIMNSA-N 1 0 379.435 3.566 20 30 GHEDRO CC[C@H](CC#N)NC[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253226461 1039483607 /nfs/dbraw/zinc/48/36/07/1039483607.db2.gz PQNKWXOXLCENRF-XLIONFOSSA-N 1 0 391.471 3.835 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001253236181 1039491464 /nfs/dbraw/zinc/49/14/64/1039491464.db2.gz AQTCDQIFLPYMKW-ISKFKSNPSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001253236395 1039491747 /nfs/dbraw/zinc/49/17/47/1039491747.db2.gz CHQDEFNDDRQQBF-FQEVSTJZSA-N 1 0 375.557 3.903 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001253236920 1039492929 /nfs/dbraw/zinc/49/29/29/1039492929.db2.gz UZULIFCXXXEEFJ-MYDTUXCISA-N 1 0 395.584 3.549 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001253243570 1039499705 /nfs/dbraw/zinc/49/97/05/1039499705.db2.gz XJCWUXLETQJZBH-UGKGYDQZSA-N 1 0 396.572 3.586 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 ZINC001253434351 1039636194 /nfs/dbraw/zinc/63/61/94/1039636194.db2.gz UREWFACBMITYIY-HRAATJIYSA-N 1 0 380.488 3.724 20 30 GHEDRO C=C[C@H](O)C[NH+]1CCC(c2cc3c(ncn3C(C)C)c(-c3cccnc3)n2)CC1 ZINC001253575386 1039708673 /nfs/dbraw/zinc/70/86/73/1039708673.db2.gz AGWOXYXCHDIYRL-IBGZPJMESA-N 1 0 391.519 3.801 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587249 1039710493 /nfs/dbraw/zinc/71/04/93/1039710493.db2.gz JTYSWIRATYAJGV-LJQANCHMSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587351 1039711402 /nfs/dbraw/zinc/71/14/02/1039711402.db2.gz KUKDJRIOMZGJTM-SFHVURJKSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](C1)c1cc(Cl)ccc1N2C(=O)OC(C)(C)C ZINC001253590536 1039713025 /nfs/dbraw/zinc/71/30/25/1039713025.db2.gz VRLXTSFFSIUKLH-YXJHDRRASA-N 1 0 378.900 3.800 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001253616871 1039728108 /nfs/dbraw/zinc/72/81/08/1039728108.db2.gz JOWUGVNOJORGTE-CZYKHXBRSA-N 1 0 385.589 3.536 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@H]4C[C@@]5(CCC[NH2+]5)CO4)nn3)cc2)cc1 ZINC001254063622 1039980329 /nfs/dbraw/zinc/98/03/29/1039980329.db2.gz FUMGVCAAOLIXGA-VWNXMTODSA-N 1 0 384.483 3.505 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(Cc3ccccn3)CC2)CC1 ZINC001254354127 1040186707 /nfs/dbraw/zinc/18/67/07/1040186707.db2.gz OGDXDJPBLJPKGE-UHFFFAOYSA-N 1 0 378.495 3.742 20 30 GHEDRO CCOC[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)Cc2cnn(C)c21 ZINC001254354952 1040188519 /nfs/dbraw/zinc/18/85/19/1040188519.db2.gz NGARTPGMNGWLDP-RHKCVOJBSA-N 1 0 396.510 3.899 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1OC(C)C)C2 ZINC001234713888 1040244467 /nfs/dbraw/zinc/24/44/67/1040244467.db2.gz AZVRGWRMBRDASJ-IRLDBZIGSA-N 1 0 375.509 3.809 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001254475431 1040262528 /nfs/dbraw/zinc/26/25/28/1040262528.db2.gz WJURQICZGNDVPL-QFIPXVFZSA-N 1 0 379.479 3.553 20 30 GHEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001254534655 1040305402 /nfs/dbraw/zinc/30/54/02/1040305402.db2.gz AFXLATNSYDXBQP-QGZVFWFLSA-N 1 0 378.476 3.652 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1Cc2cccc(C#N)c2C1 ZINC001277893506 1040332004 /nfs/dbraw/zinc/33/20/04/1040332004.db2.gz IJKBFOGQCORUQN-GOSISDBHSA-N 1 0 389.499 3.967 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560859 1040334496 /nfs/dbraw/zinc/33/44/96/1040334496.db2.gz YOBQVRHGTQAAII-MRXNPFEDSA-N 1 0 395.459 3.949 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2CC ZINC001254562207 1040337150 /nfs/dbraw/zinc/33/71/50/1040337150.db2.gz PIGXOQVOMXBTNV-XJABCFGWSA-N 1 0 385.508 3.947 20 30 GHEDRO C[C@@H]1CC(=O)N(C)c2ccc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)cc21 ZINC001234842811 1040363260 /nfs/dbraw/zinc/36/32/60/1040363260.db2.gz LFVAQNBTXVUKEC-OXQOHEQNSA-N 1 0 375.472 3.682 20 30 GHEDRO C=CCc1c(O[C@H]2CCC[N@@H+](CC)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234903172 1040416192 /nfs/dbraw/zinc/41/61/92/1040416192.db2.gz JWGRGPSCQVYMNA-IBGZPJMESA-N 1 0 389.499 3.977 20 30 GHEDRO Cn1cnc2c1cc(C1CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC1)nc2-c1cccnc1 ZINC001254659277 1040423499 /nfs/dbraw/zinc/42/34/99/1040423499.db2.gz NFGOOUIWQNTVRI-APWZRJJASA-N 1 0 386.503 3.902 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@@H](C#N)C2)C1 ZINC001254678220 1040433974 /nfs/dbraw/zinc/43/39/74/1040433974.db2.gz ZQWSBVRPLVXMJF-HOJAQTOUSA-N 1 0 384.524 3.975 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-c3nnc(C)o3)cc1)[C@@H]2CC ZINC001235046965 1040540223 /nfs/dbraw/zinc/54/02/23/1040540223.db2.gz BALHTJXWCJSPQO-OFNKIYASSA-N 1 0 394.519 3.967 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254825374 1040577170 /nfs/dbraw/zinc/57/71/70/1040577170.db2.gz BYPVASIJFODPRZ-PZJWPPBQSA-N 1 0 396.531 3.778 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]CCCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC001254893922 1040650337 /nfs/dbraw/zinc/65/03/37/1040650337.db2.gz NBQILIGLAMCAQL-BWTSREIZSA-N 1 0 385.508 3.562 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235355373 1040833877 /nfs/dbraw/zinc/83/38/77/1040833877.db2.gz QAZKVJDFMYGXFE-NHCUHLMSSA-N 1 0 396.332 3.900 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255141995 1040852328 /nfs/dbraw/zinc/85/23/28/1040852328.db2.gz PAQFJLOCJNZKSU-STAYPELNSA-N 1 0 393.575 3.683 20 30 GHEDRO C[C@@H](CN1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1=O)CC(F)(F)F ZINC001277943981 1040924456 /nfs/dbraw/zinc/92/44/56/1040924456.db2.gz FPHZPFRHCJWVDY-CXAGYDPISA-N 1 0 385.455 3.633 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cncc(F)c1Cl)CC2 ZINC001235493039 1040959954 /nfs/dbraw/zinc/95/99/54/1040959954.db2.gz QHBPKOWZSRSZRT-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001235513942 1040970336 /nfs/dbraw/zinc/97/03/36/1040970336.db2.gz MQHMHJRULNBVGO-GGAORHGYSA-N 1 0 377.488 3.598 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001235518966 1040973664 /nfs/dbraw/zinc/97/36/64/1040973664.db2.gz PVEKIXGXPPGZOQ-FYYLOGMGSA-N 1 0 395.478 3.737 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C1 ZINC001255424132 1041018883 /nfs/dbraw/zinc/01/88/83/1041018883.db2.gz RLZFWPGGMUXQQH-FQEVSTJZSA-N 1 0 385.471 3.601 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cccn1C(=O)OC(C)(C)C)C2 ZINC001235631015 1041063846 /nfs/dbraw/zinc/06/38/46/1041063846.db2.gz SEVVNYMBQFVDDC-RXVVDRJESA-N 1 0 376.497 3.597 20 30 GHEDRO N#Cc1ccc2[nH]cc(CN3CC[NH2+][C@@H](c4cccc(Br)c4)C3)c2c1 ZINC001235792909 1041288316 /nfs/dbraw/zinc/28/83/16/1041288316.db2.gz NVBWGVKLUDRJQP-HXUWFJFHSA-N 1 0 395.304 3.949 20 30 GHEDRO N#Cc1c(F)cc(CN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)cc1F ZINC001235794550 1041291710 /nfs/dbraw/zinc/29/17/10/1041291710.db2.gz VJICLKHOLJYDGV-GOSISDBHSA-N 1 0 392.247 3.745 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001255916824 1041400735 /nfs/dbraw/zinc/40/07/35/1041400735.db2.gz COPXWPFWSKPGON-QUCCMNQESA-N 1 0 385.508 3.801 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+]([C@H]3CCC[C@H](c4ccccc4)C3)CC2)C1=O ZINC001256116827 1041547516 /nfs/dbraw/zinc/54/75/16/1041547516.db2.gz PJDCMLXYRXHJLS-VXKWHMMOSA-N 1 0 381.564 3.507 20 30 GHEDRO C#CCOc1ccc(CN(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236351368 1041679098 /nfs/dbraw/zinc/67/90/98/1041679098.db2.gz CBMHCSNHUZSQHM-HXUWFJFHSA-N 1 0 382.479 3.601 20 30 GHEDRO N#Cc1c(N)sc(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)c1Cl ZINC001236389221 1041694283 /nfs/dbraw/zinc/69/42/83/1041694283.db2.gz LBUKZGLBTGOXKN-AWEZNQCLSA-N 1 0 378.904 3.749 20 30 GHEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(CN3CCS/C3=N\C#N)cn2)cc1 ZINC001236428261 1041708089 /nfs/dbraw/zinc/70/80/89/1041708089.db2.gz OARAAYVDVBDORK-DAFNUICNSA-N 1 0 379.533 3.880 20 30 GHEDRO CC(C)C[NH2+]Cc1ccc(-c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)cc1 ZINC001236430199 1041709066 /nfs/dbraw/zinc/70/90/66/1041709066.db2.gz ZRYMFJNBEDTICX-GOSISDBHSA-N 1 0 380.492 3.838 20 30 GHEDRO COc1ccc(CN(Cc2ccc(N(C)C)c(C#N)c2F)C2CC[NH2+]CC2)cc1 ZINC001236446666 1041716263 /nfs/dbraw/zinc/71/62/63/1041716263.db2.gz LULKRZASMBMBQI-UHFFFAOYSA-N 1 0 396.510 3.526 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(Br)c(O)c1)CC2 ZINC001236684186 1041830009 /nfs/dbraw/zinc/83/00/09/1041830009.db2.gz KLBMBOBZZXQLIM-LJQANCHMSA-N 1 0 393.325 3.688 20 30 GHEDRO CSc1nc(CN2CC[NH2+]C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1C#N ZINC001236816460 1041914228 /nfs/dbraw/zinc/91/42/28/1041914228.db2.gz YGYZTRYYNWDKHR-QGZVFWFLSA-N 1 0 392.450 3.840 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(O)cc(Br)c3)CC2)C1=O ZINC001278029527 1041963659 /nfs/dbraw/zinc/96/36/59/1041963659.db2.gz ZOVACUWRKXKWEW-IBGZPJMESA-N 1 0 393.325 3.545 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)C1 ZINC001462580960 1070386549 /nfs/dbraw/zinc/38/65/49/1070386549.db2.gz NMUICTRWHRIQOT-SLFFLAALSA-N 1 0 377.573 3.632 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccnc3c(OC)cccc13)C2 ZINC001237107353 1042041240 /nfs/dbraw/zinc/04/12/40/1042041240.db2.gz BMUDUSUJZNFPFS-GGAORHGYSA-N 1 0 382.504 3.817 20 30 GHEDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cn(C)c3ccc(C#N)cc23)O1 ZINC001237468663 1042221000 /nfs/dbraw/zinc/22/10/00/1042221000.db2.gz NKEGRBNZKJIMEM-UEVCKROQSA-N 1 0 381.520 3.844 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c2cc(C#N)ccc21 ZINC001237473174 1042224053 /nfs/dbraw/zinc/22/40/53/1042224053.db2.gz USDPTPAUFBKMQO-UHFFFAOYSA-N 1 0 378.520 3.665 20 30 GHEDRO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473834 1042224586 /nfs/dbraw/zinc/22/45/86/1042224586.db2.gz WHZPOTGKGKLXEY-MAUKXSAKSA-N 1 0 382.508 3.928 20 30 GHEDRO N#Cc1cc(CN2CCC(n3cc(Br)cn3)CC2)c(F)cc1F ZINC001237531375 1042253395 /nfs/dbraw/zinc/25/33/95/1042253395.db2.gz LDVSQZLOTFDTGV-UHFFFAOYSA-N 1 0 381.224 3.633 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccnc(OC(F)F)c1)CC2 ZINC001237611398 1042280422 /nfs/dbraw/zinc/28/04/22/1042280422.db2.gz OBVVZLMILSTFFX-UHFFFAOYSA-N 1 0 395.450 3.684 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OCC)cc3F)C2)C1 ZINC001237627442 1042293131 /nfs/dbraw/zinc/29/31/31/1042293131.db2.gz QJPYPSFZIAIZSM-OAQYLSRUSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238058358 1042478369 /nfs/dbraw/zinc/47/83/69/1042478369.db2.gz RBVZJXMOYYPVFI-UHFFFAOYSA-N 1 0 376.472 3.840 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(Cl)c1 ZINC001238082095 1042485265 /nfs/dbraw/zinc/48/52/65/1042485265.db2.gz HMAQLAPUFZONFL-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c(C#N)c3)CC[C@@H]2C1 ZINC001238188910 1042513639 /nfs/dbraw/zinc/51/36/39/1042513639.db2.gz KLEVYRDUNRYPRA-WBVHZDCISA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)ccc1Cl ZINC001238191145 1042514717 /nfs/dbraw/zinc/51/47/17/1042514717.db2.gz INVSBNBVVSPVIT-JOCHJYFZSA-N 1 0 397.881 3.975 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)ccc1Cl ZINC001238191347 1042514939 /nfs/dbraw/zinc/51/49/39/1042514939.db2.gz ROXKKWDUICENFM-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(Cl)c(C#N)c4)C3)CC2=O)cc1 ZINC001238191683 1042515087 /nfs/dbraw/zinc/51/50/87/1042515087.db2.gz LDMGZUQBRYIKGY-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NCC[C@H]1CCOC12CC[NH2+]CC2 ZINC001238276857 1042538677 /nfs/dbraw/zinc/53/86/77/1042538677.db2.gz OFDYWRTZDVQNDE-IBGZPJMESA-N 1 0 388.618 3.595 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)c(O)c1F)CC2 ZINC001238359611 1042569205 /nfs/dbraw/zinc/56/92/05/1042569205.db2.gz CDEMYOIRNVMLGJ-UHFFFAOYSA-N 1 0 392.471 3.541 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)ccc1C#N ZINC001238406556 1042586218 /nfs/dbraw/zinc/58/62/18/1042586218.db2.gz QAQYKCOMFGIXTJ-JOCHJYFZSA-N 1 0 395.528 3.757 20 30 GHEDRO COc1cc(C[NH+]2CCC(C3CN(C(=O)OC(C)(C)C)C3)CC2)ccc1C#N ZINC001238410946 1042587280 /nfs/dbraw/zinc/58/72/80/1042587280.db2.gz VVOYEURXEWHMKA-UHFFFAOYSA-N 1 0 385.508 3.646 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3ccc(C#N)c(OC)c3)C1)C2 ZINC001238413996 1042588294 /nfs/dbraw/zinc/58/82/94/1042588294.db2.gz SZMPVWWYICXHEC-HYBUGGRVSA-N 1 0 390.483 3.662 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)ccc1C#N ZINC001238413294 1042588391 /nfs/dbraw/zinc/58/83/91/1042588391.db2.gz OMIKRDRNMNQFKE-UHFFFAOYSA-N 1 0 382.847 3.882 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ncc(C)cc3C)C[C@@H]2c2ccccc2)C1=O ZINC001238424798 1042592295 /nfs/dbraw/zinc/59/22/95/1042592295.db2.gz CPYYRTSUBCHPPK-QPPBQGQZSA-N 1 0 375.516 3.703 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(F)c(OC(C)C)c1)CC2 ZINC001238454555 1042600998 /nfs/dbraw/zinc/60/09/98/1042600998.db2.gz PPTQZHIBNSERDE-UHFFFAOYSA-N 1 0 376.472 3.833 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1ncc(OC)cc1Cl)[C@H]2CC ZINC001238481139 1042612751 /nfs/dbraw/zinc/61/27/51/1042612751.db2.gz VTSSFZFKPIDGDN-ICSRJNTNSA-N 1 0 377.916 3.665 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)ccc1C#N ZINC001238762803 1042718949 /nfs/dbraw/zinc/71/89/49/1042718949.db2.gz NQGYADHZDNNDPI-BJKOFHAPSA-N 1 0 398.547 3.687 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)ccc1C#N ZINC001238774951 1042722966 /nfs/dbraw/zinc/72/29/66/1042722966.db2.gz NWQPQFYENLVGAU-FYYLOGMGSA-N 1 0 377.488 3.718 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)ccc1C#N ZINC001238776982 1042723720 /nfs/dbraw/zinc/72/37/20/1042723720.db2.gz YCKAJBJIHRNCMD-JWQCQUIFSA-N 1 0 387.527 3.885 20 30 GHEDRO C[NH+]1CCN(c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC001238838305 1042740886 /nfs/dbraw/zinc/74/08/86/1042740886.db2.gz MVAWUDMVTIOCEG-UHFFFAOYSA-N 1 0 397.404 3.939 20 30 GHEDRO Cc1cnc(N2CCC(C[NH3+])CC2)nc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238838290 1042741022 /nfs/dbraw/zinc/74/10/22/1042741022.db2.gz MFKFNNRHPNTQPY-UHFFFAOYSA-N 1 0 375.398 3.518 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)N1CCOCC12CC[NH2+]CC2 ZINC001239042324 1042761486 /nfs/dbraw/zinc/76/14/86/1042761486.db2.gz WFUQDCBSAMVFCK-UHFFFAOYSA-N 1 0 388.618 3.692 20 30 GHEDRO N#Cc1cccc(NC(=O)NCCCC[C@H]([NH3+])C(=O)SCc2ccccc2)c1 ZINC001239255663 1042798651 /nfs/dbraw/zinc/79/86/51/1042798651.db2.gz PGMMGHSJEGOPPX-IBGZPJMESA-N 1 0 396.516 3.637 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001239308054 1042806232 /nfs/dbraw/zinc/80/62/32/1042806232.db2.gz JBPJNQLITQRPBO-SIKLNZKXSA-N 1 0 395.588 3.844 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001239308055 1042806417 /nfs/dbraw/zinc/80/64/17/1042806417.db2.gz JBPJNQLITQRPBO-UGKGYDQZSA-N 1 0 395.588 3.844 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2C[NH2+]Cc3ccsc32)cc1C(F)(F)F ZINC001239368226 1042814718 /nfs/dbraw/zinc/81/47/18/1042814718.db2.gz YHYQCLXEJJJVGC-CYBMUJFWSA-N 1 0 382.436 3.769 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239373127 1042815493 /nfs/dbraw/zinc/81/54/93/1042815493.db2.gz LVBZCVNQNDLPOI-RHSMWYFYSA-N 1 0 382.455 3.786 20 30 GHEDRO Cc1cccc2c1C1(C[C@@H]2NC(=S)Nc2ccccc2C#N)CC[NH2+]CC1 ZINC001239373543 1042815935 /nfs/dbraw/zinc/81/59/35/1042815935.db2.gz NLDSGRBTGFLZQX-IBGZPJMESA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1ccccc1NC(=S)NC1(Cc2ccccc2Cl)CC[NH2+]CC1 ZINC001239385750 1042818598 /nfs/dbraw/zinc/81/85/98/1042818598.db2.gz IBKVWMWPSDNGNJ-UHFFFAOYSA-N 1 0 384.936 3.863 20 30 GHEDRO N#Cc1cc(-c2ccc(-c3ccc(-n4ccnc4)cc3)nn2)cc(C2C[NH2+]C2)c1 ZINC001240346019 1042922468 /nfs/dbraw/zinc/92/24/68/1042922468.db2.gz BRBYOIKRSFLUKP-UHFFFAOYSA-N 1 0 378.439 3.555 20 30 GHEDRO N#Cc1cc(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)cc(C2C[NH2+]C2)c1 ZINC001240351428 1042922888 /nfs/dbraw/zinc/92/28/88/1042922888.db2.gz UMSRMNTWYRGZJZ-UHFFFAOYSA-N 1 0 392.462 3.702 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4ccc(C#N)c(C(F)(F)F)n4)cc3)CC2)CC1 ZINC001240572911 1042941808 /nfs/dbraw/zinc/94/18/08/1042941808.db2.gz LISTVPAWOYRFIK-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4cnc(C#N)c(C(F)(F)F)c4)cc3)CC2)CC1 ZINC001240588762 1042944084 /nfs/dbraw/zinc/94/40/84/1042944084.db2.gz HWXTYLSBIUBRPD-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCn1c(CC2CC2)nnc1N1CCC(CC#N)CC1 ZINC001291099463 1043077754 /nfs/dbraw/zinc/07/77/54/1043077754.db2.gz IDRDRXVNJFJVQE-SFHVURJKSA-N 1 0 384.572 3.625 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291102175 1043079138 /nfs/dbraw/zinc/07/91/38/1043079138.db2.gz IOQAQIDBHAIYSK-SJORKVTESA-N 1 0 383.544 3.522 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001291113960 1043085658 /nfs/dbraw/zinc/08/56/58/1043085658.db2.gz PIZJMXQWPSAZPC-IBGZPJMESA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001291124913 1043095027 /nfs/dbraw/zinc/09/50/27/1043095027.db2.gz LQBMLEDEKVWKOD-OALUTQOASA-N 1 0 397.571 3.534 20 30 GHEDRO C[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291131394 1043098257 /nfs/dbraw/zinc/09/82/57/1043098257.db2.gz BIYAEBHUEZUHOK-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H](Cn1c(CC2CCCC2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCC(C)CC1 ZINC001291144630 1043107594 /nfs/dbraw/zinc/10/75/94/1043107594.db2.gz RRCWKWBJTDZTSO-RBUKOAKNSA-N 1 0 386.588 3.870 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001291489081 1043300735 /nfs/dbraw/zinc/30/07/35/1043300735.db2.gz XZMLTERZEULFEG-MJGOQNOKSA-N 1 0 384.572 3.939 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCN(Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256537403 1043485114 /nfs/dbraw/zinc/48/51/14/1043485114.db2.gz NJRZQOJWKPEHDN-UNMCSNQZSA-N 1 0 397.563 3.760 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)Cc3ccncc3)C[C@@H]2c2ccccc2)C1=O ZINC001256737424 1043641221 /nfs/dbraw/zinc/64/12/21/1043641221.db2.gz CLNQBMQGTPSOPE-CKUXNOBLSA-N 1 0 375.516 3.517 20 30 GHEDRO N#Cc1ccc2c(c1)CC[N@@H+](C1CCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001256887799 1043722468 /nfs/dbraw/zinc/72/24/68/1043722468.db2.gz LJUKERLMHFOFSH-UHFFFAOYSA-N 1 0 386.421 3.999 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCCN([C@H]3CCC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001256911744 1043736296 /nfs/dbraw/zinc/73/62/96/1043736296.db2.gz UCTNBYZIJXJWJO-NRFANRHFSA-N 1 0 389.584 3.894 20 30 GHEDRO CCOC(=O)c1cc2cc(N3CC[NH+](C4CCC(C#N)CC4)CC3)ccc2o1 ZINC001256972563 1043777727 /nfs/dbraw/zinc/77/77/27/1043777727.db2.gz CETAADFJAFFIMS-UHFFFAOYSA-N 1 0 381.476 3.814 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016387 1043801488 /nfs/dbraw/zinc/80/14/88/1043801488.db2.gz BTNPKFQOSLYKQE-KWJLTHHISA-N 1 0 399.535 3.544 20 30 GHEDRO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](C4CCC(c5ccc(C#N)cc5)CC4)C[C@H]3O2)n1 ZINC001257019813 1043804706 /nfs/dbraw/zinc/80/47/06/1043804706.db2.gz OIJWZSGKCJOAOS-NPRSCZTNSA-N 1 0 392.503 3.608 20 30 GHEDRO COc1cc(N(C2CC[NH2+]CC2)C2CCC(c3ccc(C#N)cc3)CC2)ncn1 ZINC001257023346 1043807897 /nfs/dbraw/zinc/80/78/97/1043807897.db2.gz ZPHHETKXZQAYGC-UHFFFAOYSA-N 1 0 391.519 3.642 20 30 GHEDRO CCOC(=O)c1ccc(C[C@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)cc1 ZINC001257151372 1043899677 /nfs/dbraw/zinc/89/96/77/1043899677.db2.gz MCVOSZDGPFBYMF-INIZCTEOSA-N 1 0 375.472 3.995 20 30 GHEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC001257241248 1043943359 /nfs/dbraw/zinc/94/33/59/1043943359.db2.gz QBORSKRVRYVVBO-GOSISDBHSA-N 1 0 397.544 3.545 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC001292959299 1043966270 /nfs/dbraw/zinc/96/62/70/1043966270.db2.gz YDROVVIKFQYBBY-ROUUACIJSA-N 1 0 384.442 3.554 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC001292984355 1043972636 /nfs/dbraw/zinc/97/26/36/1043972636.db2.gz AKJCYOMAOHXLNJ-KRWDZBQOSA-N 1 0 398.334 3.821 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+]Cc1ncc(C#N)s1)C2 ZINC001257808999 1044190550 /nfs/dbraw/zinc/19/05/50/1044190550.db2.gz YNTFJPLLUGHQGN-KUHUBIRLSA-N 1 0 376.526 3.674 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H]3CC[C@H]4[C@H]3OCCN4C(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC001257886370 1044243597 /nfs/dbraw/zinc/24/35/97/1044243597.db2.gz BKGAOBHLTSPVPC-GUZBNGIKSA-N 1 0 376.541 3.878 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]CCCC[C@H](NC(=O)c3ccccc3)C(=O)OC)C[C@H](C1)C2 ZINC001257887871 1044244458 /nfs/dbraw/zinc/24/44/58/1044244458.db2.gz NUJYZFFKGKWGHR-UPWVYKOGSA-N 1 0 398.547 3.853 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3CCc4c(ccc(=O)n4Cc4ccncc4)C3)C[C@H](C1)C2 ZINC001257887120 1044244877 /nfs/dbraw/zinc/24/48/77/1044244877.db2.gz URUSKJSEXCHLMV-SXYMUXSESA-N 1 0 389.543 3.873 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C3CCN(C(=O)c4ccccc4C(=O)OC)CC3)C[C@H](C1)C2 ZINC001257890618 1044246074 /nfs/dbraw/zinc/24/60/74/1044246074.db2.gz RCAIPBVKSFDYFI-UFRUDQCGSA-N 1 0 396.531 3.802 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](N4CC(NC(=O)OC(C)(C)C)C4)C3)C[C@H](C1)C2 ZINC001257895711 1044250606 /nfs/dbraw/zinc/25/06/06/1044250606.db2.gz YYXDLFQYEFKNCY-XSONFBQWSA-N 1 0 389.584 3.795 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3COc4ccc(Cl)cc4C3)C2)C1 ZINC001257956539 1044273486 /nfs/dbraw/zinc/27/34/86/1044273486.db2.gz HQNXTAGXEGBVRC-GHTZIAJQSA-N 1 0 390.911 3.754 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001258044719 1044367053 /nfs/dbraw/zinc/36/70/53/1044367053.db2.gz UAAWVXZRABSRRJ-KCLUMXDGSA-N 1 0 380.573 3.510 20 30 GHEDRO CCCCCCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnoc2C)[C@H]2OCCC[C@H]2C1 ZINC001258044444 1044368141 /nfs/dbraw/zinc/36/81/41/1044368141.db2.gz NZZJWXUVGWUPFH-YRLHULLVSA-N 1 0 391.556 3.941 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)/C=C/C(=O)c1ccc(C)cc1 ZINC001294255284 1044552778 /nfs/dbraw/zinc/55/27/78/1044552778.db2.gz RKYOQVXVSJYADB-ZHACJKMWSA-N 1 0 384.442 3.857 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC001258566126 1044645356 /nfs/dbraw/zinc/64/53/56/1044645356.db2.gz ATIZRBBDSSANQX-DLBZAZTESA-N 1 0 395.544 3.541 20 30 GHEDRO C[C@H](Cc1cccnc1)[NH2+]CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001258615434 1044670551 /nfs/dbraw/zinc/67/05/51/1044670551.db2.gz IHPNQPPWJKPZKQ-HXUWFJFHSA-N 1 0 395.506 3.939 20 30 GHEDRO C=CCC[C@@H](C)[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC)C2 ZINC001258728582 1044734840 /nfs/dbraw/zinc/73/48/40/1044734840.db2.gz OVPNEQPMVQBOTO-GOSISDBHSA-N 1 0 392.565 3.527 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001294678977 1044761507 /nfs/dbraw/zinc/76/15/07/1044761507.db2.gz SGTWXDHOAMXPAY-XLIONFOSSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)CC#N)c1ccco1 ZINC001295400236 1044999584 /nfs/dbraw/zinc/99/95/84/1044999584.db2.gz KQLHNUQGPLHKFU-FUHWJXTLSA-N 1 0 395.511 3.688 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC001296125424 1045258297 /nfs/dbraw/zinc/25/82/97/1045258297.db2.gz AVUQEFGNDBQYGG-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001297378374 1045506094 /nfs/dbraw/zinc/50/60/94/1045506094.db2.gz FVYOSLQFGQIUIT-UHFFFAOYSA-N 1 0 398.526 3.996 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001298041401 1045684916 /nfs/dbraw/zinc/68/49/16/1045684916.db2.gz WCNOWIXKPADTFU-MRXNPFEDSA-N 1 0 384.528 3.602 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(N2CCC(C#N)CC2)nnc1C(C)(C)C)c1cccc(F)c1 ZINC001298040012 1045685084 /nfs/dbraw/zinc/68/50/84/1045685084.db2.gz LSTWEMAKRRZPSU-IBGZPJMESA-N 1 0 398.530 3.758 20 30 GHEDRO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001298586181 1045881680 /nfs/dbraw/zinc/88/16/80/1045881680.db2.gz SKGUGLMATRYAAJ-NHCUHLMSSA-N 1 0 380.532 3.815 20 30 GHEDRO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001262035212 1046163985 /nfs/dbraw/zinc/16/39/85/1046163985.db2.gz CDYXRYMLHCVMPO-QXKOCSRTSA-N 1 0 389.902 3.542 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300876461 1046219743 /nfs/dbraw/zinc/21/97/43/1046219743.db2.gz SVGBRBTXJDZUHO-HBFSDRIKSA-N 1 0 389.588 3.740 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300918809 1046240990 /nfs/dbraw/zinc/24/09/90/1046240990.db2.gz JLOYMCHBZURLGB-HXUWFJFHSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001300965473 1046264415 /nfs/dbraw/zinc/26/44/15/1046264415.db2.gz QMDMYRMNUSOWDQ-GOSISDBHSA-N 1 0 385.581 3.985 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301029017 1046295130 /nfs/dbraw/zinc/29/51/30/1046295130.db2.gz DUWQSGWPVIDPRL-UHFFFAOYSA-N 1 0 396.926 3.776 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001301119019 1046355386 /nfs/dbraw/zinc/35/53/86/1046355386.db2.gz SIBFRRWAOZYNOH-FQEVSTJZSA-N 1 0 394.567 3.925 20 30 GHEDRO C=CCCCCCN(C)c1nnc(C(C)(C)C)n1CC[NH+]1CCSCC1 ZINC001301167965 1046382813 /nfs/dbraw/zinc/38/28/13/1046382813.db2.gz INAGUVGFTJDRID-UHFFFAOYSA-N 1 0 379.618 3.807 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CCC[C@@H]1C ZINC001301282834 1046452886 /nfs/dbraw/zinc/45/28/86/1046452886.db2.gz LXBOBQGPJQQWSE-KRWDZBQOSA-N 1 0 376.508 3.600 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC(C)C)[NH+](C)C)C1CC1 ZINC001301317140 1046480114 /nfs/dbraw/zinc/48/01/14/1046480114.db2.gz PBFVFGUVJLUHLR-NRFANRHFSA-N 1 0 392.551 3.948 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)[NH+](C)C)C1CC1 ZINC001301323837 1046487126 /nfs/dbraw/zinc/48/71/26/1046487126.db2.gz MPVAPVLPWHHSNW-IBGZPJMESA-N 1 0 396.564 3.803 20 30 GHEDRO C=CCN(c1nnc(COc2cccc(C)c2)n1CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC001301331059 1046494780 /nfs/dbraw/zinc/49/47/80/1046494780.db2.gz DDGSLZSMWDLHGT-IBGZPJMESA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001301384571 1046519157 /nfs/dbraw/zinc/51/91/57/1046519157.db2.gz YIZXRPWGEURQLN-NRFANRHFSA-N 1 0 377.536 3.999 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccncc2)n1CC1([NH+](C)C)CCCCC1 ZINC001301393660 1046522980 /nfs/dbraw/zinc/52/29/80/1046522980.db2.gz DKBXAUHMTRYNSG-UHFFFAOYSA-N 1 0 394.567 3.707 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC001301518570 1046575722 /nfs/dbraw/zinc/57/57/22/1046575722.db2.gz KGDNJFDINNXXDP-FQEVSTJZSA-N 1 0 395.551 3.689 20 30 GHEDRO C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301528440 1046580507 /nfs/dbraw/zinc/58/05/07/1046580507.db2.gz BEPCPOXFKPGKMR-IBGZPJMESA-N 1 0 397.567 3.935 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263327300 1046714908 /nfs/dbraw/zinc/71/49/08/1046714908.db2.gz KEMSOPCSQHUDNI-RBUKOAKNSA-N 1 0 382.556 3.569 20 30 GHEDRO CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCC1)C(C)C ZINC001303148272 1047292231 /nfs/dbraw/zinc/29/22/31/1047292231.db2.gz NJJUTEFHDSWIFO-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001303639273 1047462938 /nfs/dbraw/zinc/46/29/38/1047462938.db2.gz DNZDESRRBMBXDW-QGZVFWFLSA-N 1 0 398.530 3.621 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC1CC1)C[NH+]1CCCC1 ZINC001303745792 1047502446 /nfs/dbraw/zinc/50/24/46/1047502446.db2.gz JCTPOMAIMDNBPR-SFHVURJKSA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCC1)C[NH+]1CCCC1 ZINC001303747325 1047503243 /nfs/dbraw/zinc/50/32/43/1047503243.db2.gz PJXZPAHNSBFMFB-SFHVURJKSA-N 1 0 392.551 3.785 20 30 GHEDRO Cc1ccc([C@H](Cn2c(C3CCC3)nnc2N(C)C[C@@H](C)C#N)[NH+](C)C)cc1 ZINC001304276998 1047634343 /nfs/dbraw/zinc/63/43/43/1047634343.db2.gz WVMICEBITRAGRR-PXNSSMCTSA-N 1 0 380.540 3.753 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC3(CN(Cc4cccc(Cl)c4Cl)C3)C2)cc1C#N ZINC001279202524 1047741792 /nfs/dbraw/zinc/74/17/92/1047741792.db2.gz ZZLYSWRMXMRECQ-UHFFFAOYSA-N 1 0 389.330 3.911 20 30 GHEDRO C[C@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001305066776 1047870418 /nfs/dbraw/zinc/87/04/18/1047870418.db2.gz OIVHWWRUWUKWEQ-GCJKJVERSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C1)[NH+]1CCCCC1 ZINC001305073328 1047875443 /nfs/dbraw/zinc/87/54/43/1047875443.db2.gz JBYIUANURNUCMA-RTBURBONSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001305101515 1047902779 /nfs/dbraw/zinc/90/27/79/1047902779.db2.gz DOSLBPWHYQAYAR-LJQANCHMSA-N 1 0 397.571 3.534 20 30 GHEDRO N#Cc1c(Cl)cccc1C[NH2+]C12CC(C(=O)NC3CCC(F)CC3)(C1)C2 ZINC001279742304 1047940438 /nfs/dbraw/zinc/94/04/38/1047940438.db2.gz TYWMPRXXVSBRJT-UHFFFAOYSA-N 1 0 375.875 3.621 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001279870721 1047974520 /nfs/dbraw/zinc/97/45/20/1047974520.db2.gz LDAYFYAFXBJSHR-GUDVDZBRSA-N 1 0 382.614 3.790 20 30 GHEDRO CCCCCCCNC(=S)N[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001279956857 1048009767 /nfs/dbraw/zinc/00/97/67/1048009767.db2.gz ARCSHYVXORQGAK-UXHICEINSA-N 1 0 377.602 3.779 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(Cl)c(Cl)c2)C3)C1 ZINC001280007461 1048043015 /nfs/dbraw/zinc/04/30/15/1048043015.db2.gz APUGZOLHMLRYHH-HGKCTWBKSA-N 1 0 392.330 3.823 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305450689 1048063091 /nfs/dbraw/zinc/06/30/91/1048063091.db2.gz OGUDOIRDBUAIIC-YZVOILCLSA-N 1 0 390.532 3.598 20 30 GHEDRO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001280055007 1048066348 /nfs/dbraw/zinc/06/63/48/1048066348.db2.gz PFURKZJWLYTUHV-OXJNMPFZSA-N 1 0 392.330 3.762 20 30 GHEDRO CS[C@H](C)CC[NH+]1CC2(C[C@@H]2C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280224249 1048134077 /nfs/dbraw/zinc/13/40/77/1048134077.db2.gz QCLWDHAGDFCHHK-CZUORRHYSA-N 1 0 389.590 3.901 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[N@@H+](C)C(C)C ZINC001286303380 1048265291 /nfs/dbraw/zinc/26/52/91/1048265291.db2.gz IROBQDOJMLUGBB-SFHVURJKSA-N 1 0 392.551 3.538 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCC[N@H+]1CCC ZINC001286362276 1048288284 /nfs/dbraw/zinc/28/82/84/1048288284.db2.gz AALLTMDMZRQKPW-MSOLQXFVSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001286435902 1048319519 /nfs/dbraw/zinc/31/95/19/1048319519.db2.gz MWURYNYRTDZAFG-UHFFFAOYSA-N 1 0 393.579 3.947 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001286443182 1048325497 /nfs/dbraw/zinc/32/54/97/1048325497.db2.gz BJMZOTUKJUGIAO-LJQANCHMSA-N 1 0 379.552 3.916 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286523553 1048349246 /nfs/dbraw/zinc/34/92/46/1048349246.db2.gz YMNSHBIXCAZMQS-NFBKMPQASA-N 1 0 379.552 3.916 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286523554 1048349349 /nfs/dbraw/zinc/34/93/49/1048349349.db2.gz YMNSHBIXCAZMQS-NZQKXSOJSA-N 1 0 379.552 3.916 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001286578816 1048372211 /nfs/dbraw/zinc/37/22/11/1048372211.db2.gz KNDGTCNYDAFLCS-UHFFFAOYSA-N 1 0 389.588 3.837 20 30 GHEDRO C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286631746 1048399743 /nfs/dbraw/zinc/39/97/43/1048399743.db2.gz VYJREKYWOZCQOD-FQEVSTJZSA-N 1 0 399.970 3.880 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286644500 1048410958 /nfs/dbraw/zinc/41/09/58/1048410958.db2.gz YMBCCCUZEIOHBR-GOSISDBHSA-N 1 0 382.556 3.940 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286655354 1048423950 /nfs/dbraw/zinc/42/39/50/1048423950.db2.gz PALQZAFFWCEGIH-LJQANCHMSA-N 1 0 395.551 3.698 20 30 GHEDRO C=CCCCn1c(CCc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286703417 1048462320 /nfs/dbraw/zinc/46/23/20/1048462320.db2.gz MGGDCGUILOOSBM-UHFFFAOYSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286721613 1048478511 /nfs/dbraw/zinc/47/85/11/1048478511.db2.gz ZYHVHEPOPAFBDY-GOSISDBHSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001286725251 1048482310 /nfs/dbraw/zinc/48/23/10/1048482310.db2.gz QNABBAQZWPWYIW-OALUTQOASA-N 1 0 375.561 3.797 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C)C1)C(C)C ZINC001286751135 1048504661 /nfs/dbraw/zinc/50/46/61/1048504661.db2.gz ANNOIQXWOTYVPQ-SLFFLAALSA-N 1 0 387.572 3.674 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(CC)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001286752346 1048505470 /nfs/dbraw/zinc/50/54/70/1048505470.db2.gz VYHBYLMBJPLIIV-LJQANCHMSA-N 1 0 384.572 3.669 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286759195 1048512602 /nfs/dbraw/zinc/51/26/02/1048512602.db2.gz LQRRMLXCXIVKAO-WOJBJXKFSA-N 1 0 394.567 3.563 20 30 GHEDRO C=CCSCCn1c(-c2ccccc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286828879 1048538856 /nfs/dbraw/zinc/53/88/56/1048538856.db2.gz CQWDMQDKIFTAJY-UHFFFAOYSA-N 1 0 385.581 3.642 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCC1 ZINC001287240166 1048677554 /nfs/dbraw/zinc/67/75/54/1048677554.db2.gz WKAUEQNGVXPOGK-HXUWFJFHSA-N 1 0 378.524 3.537 20 30 GHEDRO CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001287673976 1048874839 /nfs/dbraw/zinc/87/48/39/1048874839.db2.gz AYBOSEGVUNCSEC-GOSISDBHSA-N 1 0 380.540 3.641 20 30 GHEDRO CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C1CCCC1 ZINC001287673696 1048875620 /nfs/dbraw/zinc/87/56/20/1048875620.db2.gz DBGBYAPMOQGWEV-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C)C2)C1 ZINC001307038939 1049032125 /nfs/dbraw/zinc/03/21/25/1049032125.db2.gz OBZCDSIZQFVUMU-QUCCMNQESA-N 1 0 392.551 3.785 20 30 GHEDRO CCC[C@H]1CN(c2nnc(CC)c(CC)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001307084146 1049062983 /nfs/dbraw/zinc/06/29/83/1049062983.db2.gz NWWJOJWQLFRUHG-IBGZPJMESA-N 1 0 377.536 3.964 20 30 GHEDRO CC[NH+]1CCN(c2cccc(Nc3cc(C#N)c(Br)cn3)c2)CC1 ZINC001307103635 1049077078 /nfs/dbraw/zinc/07/70/78/1049077078.db2.gz MQXWLWDPCZAREE-UHFFFAOYSA-N 1 0 386.297 3.601 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CCC[NH+]1CCCC1 ZINC001288507504 1049117098 /nfs/dbraw/zinc/11/70/98/1049117098.db2.gz NLEXSQCBYVFTFA-MRXNPFEDSA-N 1 0 386.931 3.823 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@H]3CC[N@@H+]3Cc3ccccc3)c2c1 ZINC001307171270 1049117118 /nfs/dbraw/zinc/11/71/18/1049117118.db2.gz SVPRURXLXYPZLX-GOSISDBHSA-N 1 0 388.471 3.810 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3CC[N@@H+]3Cc3ccccc3)c2c1 ZINC001307171271 1049117291 /nfs/dbraw/zinc/11/72/91/1049117291.db2.gz SVPRURXLXYPZLX-SFHVURJKSA-N 1 0 388.471 3.810 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001288530214 1049129762 /nfs/dbraw/zinc/12/97/62/1049129762.db2.gz OGADYVINDCQUMB-VQIMIIECSA-N 1 0 398.580 3.686 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001307438719 1049274333 /nfs/dbraw/zinc/27/43/33/1049274333.db2.gz NCBUSYHVYJXIGH-SFTDATJTSA-N 1 0 399.535 3.703 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)C1 ZINC001307606120 1049444257 /nfs/dbraw/zinc/44/42/57/1049444257.db2.gz FNOWNISGXUFZNX-AZUAARDMSA-N 1 0 390.524 3.580 20 30 GHEDRO CCC[C@H]1CN(Cc2cccc(C(=O)OC)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001307607453 1049445247 /nfs/dbraw/zinc/44/52/47/1049445247.db2.gz IEQDWEUQMZXPJI-NRFANRHFSA-N 1 0 391.515 3.831 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOCC34CCCC4)sc2C1 ZINC001307652207 1049478692 /nfs/dbraw/zinc/47/86/92/1049478692.db2.gz QEEHPDLAWUAJLS-OAHLLOKOSA-N 1 0 387.549 3.718 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC001307782801 1049589053 /nfs/dbraw/zinc/58/90/53/1049589053.db2.gz AIGSVACPUGMWEI-ILWGZMRPSA-N 1 0 387.568 3.817 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1c1ccc(Br)cc1 ZINC001307862099 1049644864 /nfs/dbraw/zinc/64/48/64/1049644864.db2.gz XKEAAPXQQUJRAU-RBUKOAKNSA-N 1 0 399.288 3.709 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001307957020 1049722212 /nfs/dbraw/zinc/72/22/12/1049722212.db2.gz HUKITIJBPMGGEL-KRWDZBQOSA-N 1 0 394.544 3.797 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001307960806 1049724398 /nfs/dbraw/zinc/72/43/98/1049724398.db2.gz RDNGAPRMSUEDHT-UHFFFAOYSA-N 1 0 387.846 3.757 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)ccc1Cl ZINC001308007194 1049755719 /nfs/dbraw/zinc/75/57/19/1049755719.db2.gz XSYWWFUTFTXCCO-HZPDHXFCSA-N 1 0 377.941 3.580 20 30 GHEDRO N#Cc1cccc(OCCC[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC001308068099 1049814973 /nfs/dbraw/zinc/81/49/73/1049814973.db2.gz MLIVQGRPZHJKHX-UHFFFAOYSA-N 1 0 378.472 3.771 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C1 ZINC001308070029 1049815931 /nfs/dbraw/zinc/81/59/31/1049815931.db2.gz YITXPLPYINIUED-NFBKMPQASA-N 1 0 396.556 3.750 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC001308098451 1049844071 /nfs/dbraw/zinc/84/40/71/1049844071.db2.gz DBXRTAHNVJOJFA-JOCHJYFZSA-N 1 0 385.508 3.803 20 30 GHEDRO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001290716480 1049906950 /nfs/dbraw/zinc/90/69/50/1049906950.db2.gz JSJZCPRWDWNDOZ-OAQYLSRUSA-N 1 0 380.540 3.605 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001308367117 1049959590 /nfs/dbraw/zinc/95/95/90/1049959590.db2.gz CCIFOBTYRKURMQ-MRXNPFEDSA-N 1 0 391.496 3.723 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(Br)cc2C#N)C1 ZINC001290984170 1049964575 /nfs/dbraw/zinc/96/45/75/1049964575.db2.gz MACGGWNUMFCVQD-HUUCEWRRSA-N 1 0 392.341 3.809 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)C1 ZINC001308521842 1049998002 /nfs/dbraw/zinc/99/80/02/1049998002.db2.gz ZIVGIVHXWJBAHU-INIZCTEOSA-N 1 0 377.319 3.675 20 30 GHEDRO CCOc1ccc(C[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C(=O)OC)cc1 ZINC001308643933 1050045513 /nfs/dbraw/zinc/04/55/13/1050045513.db2.gz APNKOMXDURJJGH-FQEVSTJZSA-N 1 0 392.499 3.762 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)C1 ZINC001308865588 1050130091 /nfs/dbraw/zinc/13/00/91/1050130091.db2.gz XYQGPXUXWGGKSF-NJEKYYFSSA-N 1 0 381.907 3.759 20 30 GHEDRO Cc1ccc(CC2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC001327498711 1050197461 /nfs/dbraw/zinc/19/74/61/1050197461.db2.gz JNFGVWOBBZECMQ-HSZRJFAPSA-N 1 0 378.516 3.756 20 30 GHEDRO Cc1cccc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C#N ZINC001309043665 1050297302 /nfs/dbraw/zinc/29/73/02/1050297302.db2.gz PBXPAGZHCPCSPI-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO C#Cc1ccc(S(=O)(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC001309088587 1050339957 /nfs/dbraw/zinc/33/99/57/1050339957.db2.gz SPXVQLZQWRCSFB-GHTZIAJQSA-N 1 0 382.529 3.514 20 30 GHEDRO C=C[C@H](COC)NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001328123013 1050401639 /nfs/dbraw/zinc/40/16/39/1050401639.db2.gz VUEGBELIKSGZMH-NHCUHLMSSA-N 1 0 385.552 3.520 20 30 GHEDRO C=CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccncc1 ZINC001328475129 1050521319 /nfs/dbraw/zinc/52/13/19/1050521319.db2.gz RGKOFFZZRKNMQS-QFIPXVFZSA-N 1 0 378.520 3.925 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(OCC#N)c3)C[C@@H]2C1 ZINC001329498060 1050820619 /nfs/dbraw/zinc/82/06/19/1050820619.db2.gz CQNFKZMRSGZGFQ-IPMKNSEASA-N 1 0 385.508 3.714 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001309639287 1050887815 /nfs/dbraw/zinc/88/78/15/1050887815.db2.gz FPCSBBNZJMZVJI-QFIPXVFZSA-N 1 0 384.545 3.748 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CCC[C@H]2C#N)CC1 ZINC001310019382 1051102137 /nfs/dbraw/zinc/10/21/37/1051102137.db2.gz ONSXFWHWOCJGAX-YJBOKZPZSA-N 1 0 389.931 3.638 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C2)C1 ZINC001310211079 1051225752 /nfs/dbraw/zinc/22/57/52/1051225752.db2.gz NPWFRAFNZFIXQI-JOCHJYFZSA-N 1 0 391.475 3.695 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CC[NH+]([C@H](CC)c3ccccc3)CC2)cc1 ZINC001310302844 1051280010 /nfs/dbraw/zinc/28/00/10/1051280010.db2.gz ITVBQKCDVMJILY-JOCHJYFZSA-N 1 0 377.488 3.999 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)[C@@H]2C1 ZINC001310362341 1051307415 /nfs/dbraw/zinc/30/74/15/1051307415.db2.gz BIIDHHIUGBJEBK-WDYCEAGBSA-N 1 0 394.450 3.951 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]Cc2ccccc2OCC(F)(F)F)c1 ZINC001331962642 1051424239 /nfs/dbraw/zinc/42/42/39/1051424239.db2.gz IXAKESCKZLXUQX-UHFFFAOYSA-N 1 0 377.366 3.618 20 30 GHEDRO Cc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)ncc1C#N ZINC001311071234 1051824618 /nfs/dbraw/zinc/82/46/18/1051824618.db2.gz JJVSSJRXEDPBKN-FQEVSTJZSA-N 1 0 377.492 3.856 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2cc(CC#N)ccn2)C1 ZINC001311074925 1051829300 /nfs/dbraw/zinc/82/93/00/1051829300.db2.gz USGJPYOHIXZJHF-ROUUACIJSA-N 1 0 391.519 3.947 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)SCC(=O)N2)C(C)C ZINC001311121506 1051876586 /nfs/dbraw/zinc/87/65/86/1051876586.db2.gz JNGBEVFDSBLYOE-QGZVFWFLSA-N 1 0 388.537 3.551 20 30 GHEDRO C=C(C)c1cccc(NC(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)c1 ZINC001311297632 1051998745 /nfs/dbraw/zinc/99/87/45/1051998745.db2.gz AUUMELBURMSHRZ-UHFFFAOYSA-N 1 0 379.508 3.578 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC001336223093 1052240632 /nfs/dbraw/zinc/24/06/32/1052240632.db2.gz CCZDSSSKOSXINE-RXVVDRJESA-N 1 0 382.460 3.878 20 30 GHEDRO N#CCCC[C@@H](NC(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccc1 ZINC001336876349 1052356970 /nfs/dbraw/zinc/35/69/70/1052356970.db2.gz HQEHQSYPXJAEJN-XPNTWCBSSA-N 1 0 376.504 3.780 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](c3ccc(F)c(F)c3)C2(C)C)CC1 ZINC001311894294 1052462617 /nfs/dbraw/zinc/46/26/17/1052462617.db2.gz XOWYQSOJUTZEDA-QGZVFWFLSA-N 1 0 377.479 3.893 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001311903905 1052466178 /nfs/dbraw/zinc/46/61/78/1052466178.db2.gz HEDOXCGKCUMIBO-SFHVURJKSA-N 1 0 392.975 3.896 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001311998929 1052521270 /nfs/dbraw/zinc/52/12/70/1052521270.db2.gz ZJTSYLKMCABNJP-UZUQRXQVSA-N 1 0 388.515 3.550 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC001312217710 1052643139 /nfs/dbraw/zinc/64/31/39/1052643139.db2.gz BDISIGYNLVOJFY-JFSTXAPLSA-N 1 0 375.516 3.817 20 30 GHEDRO C#C[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)CCC)c1ccc(Br)cc1 ZINC001312937376 1052916040 /nfs/dbraw/zinc/91/60/40/1052916040.db2.gz PQUDNHIZXAPPLK-MRXNPFEDSA-N 1 0 380.330 3.543 20 30 GHEDRO CCC[C@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001313005041 1052931842 /nfs/dbraw/zinc/93/18/42/1052931842.db2.gz YRSQPFSXCWLYKE-QHCPKHFHSA-N 1 0 390.531 3.797 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C#N)n2Cc2ccccc2)CC1 ZINC001342285074 1053074819 /nfs/dbraw/zinc/07/48/19/1053074819.db2.gz LZEHBQJSRKMOLN-UHFFFAOYSA-N 1 0 394.567 3.684 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001342454394 1053178503 /nfs/dbraw/zinc/17/85/03/1053178503.db2.gz KCPRZOLQGGNQNR-HKUYNNGSSA-N 1 0 387.572 3.652 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CC#N)C1CC1 ZINC001313808107 1053240873 /nfs/dbraw/zinc/24/08/73/1053240873.db2.gz KQITVUMZRMVYGI-OAHLLOKOSA-N 1 0 386.931 3.821 20 30 GHEDRO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C ZINC001313819257 1053246319 /nfs/dbraw/zinc/24/63/19/1053246319.db2.gz KEQIKNOUBDLSBI-QFIPXVFZSA-N 1 0 386.588 3.871 20 30 GHEDRO CCn1c(C2CCN(CCC#N)CC2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001342686669 1053299975 /nfs/dbraw/zinc/29/99/75/1053299975.db2.gz WFTMAOXITDSTNB-UHFFFAOYSA-N 1 0 392.960 3.742 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(N2CC[C@](F)(C#N)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314652056 1053551530 /nfs/dbraw/zinc/55/15/30/1053551530.db2.gz CCZHXXIBDNXOAX-UTKZUKDTSA-N 1 0 390.551 3.528 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001343315662 1053698166 /nfs/dbraw/zinc/69/81/66/1053698166.db2.gz VDPGWCDCFNHTHZ-LJQANCHMSA-N 1 0 395.551 3.666 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001343342656 1053715807 /nfs/dbraw/zinc/71/58/07/1053715807.db2.gz CMONICQUBOPECJ-LJQANCHMSA-N 1 0 391.604 3.880 20 30 GHEDRO C[C@@H]1CN(c2nnc(CCCC#N)n2Cc2cccs2)CC[N@@H+](C2CCC2)C1 ZINC001343525509 1053839737 /nfs/dbraw/zinc/83/97/37/1053839737.db2.gz FIIQUFCDMVTBMQ-KRWDZBQOSA-N 1 0 398.580 3.545 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001343574988 1053900828 /nfs/dbraw/zinc/90/08/28/1053900828.db2.gz DXSUJNQDCNXGAU-IRXDYDNUSA-N 1 0 379.499 3.822 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@H]([NH+]3CCCC3)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001343732816 1053990410 /nfs/dbraw/zinc/99/04/10/1053990410.db2.gz LKAZXQJYVYKLCH-CVDCTZTESA-N 1 0 394.567 3.644 20 30 GHEDRO CSC1(Cn2c(-c3ccccc3)nnc2N(C)[C@@H](C)CC#N)CC[NH+](C)CC1 ZINC001316404732 1054148919 /nfs/dbraw/zinc/14/89/19/1054148919.db2.gz PWHIQHKADNSTIS-KRWDZBQOSA-N 1 0 398.580 3.511 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)C1 ZINC001344535751 1054550450 /nfs/dbraw/zinc/55/04/50/1054550450.db2.gz SGJODTHFVPXCBX-UHFFFAOYSA-N 1 0 381.907 3.890 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)CCC#N)n2Cc2cccs2)C[C@@H]1C ZINC001344772468 1054735079 /nfs/dbraw/zinc/73/50/79/1054735079.db2.gz PTYPUGFHLNHONF-ULQDDVLXSA-N 1 0 386.569 3.714 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC#N)cc1 ZINC001318753108 1054846409 /nfs/dbraw/zinc/84/64/09/1054846409.db2.gz TYEHRBIVPACTEE-FQEVSTJZSA-N 1 0 392.503 3.965 20 30 GHEDRO Cc1cc(C)n(CCCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001345246362 1054958307 /nfs/dbraw/zinc/95/83/07/1054958307.db2.gz GYJMVUNTUHUYNG-UHFFFAOYSA-N 1 0 394.519 3.629 20 30 GHEDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001319396637 1055226646 /nfs/dbraw/zinc/22/66/46/1055226646.db2.gz GLRZVXNOJFKRCN-UHFFFAOYSA-N 1 0 396.487 3.919 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1(Sc2ccccc2)CC1 ZINC001319441470 1055249768 /nfs/dbraw/zinc/24/97/68/1055249768.db2.gz AMVKAJUDALCYBC-UHFFFAOYSA-N 1 0 379.529 3.773 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC001320073263 1055637657 /nfs/dbraw/zinc/63/76/57/1055637657.db2.gz ZUEVECKCWIZLRY-QFIPXVFZSA-N 1 0 385.552 3.938 20 30 GHEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC001320428081 1055799576 /nfs/dbraw/zinc/79/95/76/1055799576.db2.gz RHYBVYNADQHKPN-XJKSGUPXSA-N 1 0 376.522 3.911 20 30 GHEDRO C#CCN(C)c1nnc(C2CCC2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001300457322 1056164798 /nfs/dbraw/zinc/16/47/98/1056164798.db2.gz AZWKECQQSMUXBR-OAQYLSRUSA-N 1 0 377.536 3.526 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001321282353 1056207327 /nfs/dbraw/zinc/20/73/27/1056207327.db2.gz VDSQLIJFJMOEMP-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300605847 1056617810 /nfs/dbraw/zinc/61/78/10/1056617810.db2.gz APYBFJPLXVEEKD-GOSISDBHSA-N 1 0 391.519 3.883 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300618257 1056682134 /nfs/dbraw/zinc/68/21/34/1056682134.db2.gz BZBBLRSKJKBZRY-FDDCHVKYSA-N 1 0 394.567 3.619 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1Cc2ccccc2C2(CCC2)C1 ZINC001322433104 1056700903 /nfs/dbraw/zinc/70/09/03/1056700903.db2.gz AZHZTPKUEUEMAH-UHFFFAOYSA-N 1 0 397.482 3.620 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001354931305 1056987080 /nfs/dbraw/zinc/98/70/80/1056987080.db2.gz JEVQFECARHMXFS-INIZCTEOSA-N 1 0 383.458 3.860 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001300780833 1057017264 /nfs/dbraw/zinc/01/72/64/1057017264.db2.gz YMBYSMXFNPPLCT-NTKDMRAZSA-N 1 0 391.563 3.842 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2ncc(Br)cn2)ccc1O ZINC000848420819 1057077798 /nfs/dbraw/zinc/07/77/98/1057077798.db2.gz DJBWMDHXXZHCQN-UHFFFAOYSA-N 1 0 392.301 3.623 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3cccc(F)c3F)CC2)cc1 ZINC001324368355 1057121260 /nfs/dbraw/zinc/12/12/60/1057121260.db2.gz QZZZCTGLWLCOBW-UHFFFAOYSA-N 1 0 386.471 3.741 20 30 GHEDRO C#CCN(CC1CC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001324663683 1057195414 /nfs/dbraw/zinc/19/54/14/1057195414.db2.gz DUWWNKMRGFZGHH-LPHOPBHVSA-N 1 0 377.891 3.527 20 30 GHEDRO C#CCN(CC1CC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001324663685 1057195496 /nfs/dbraw/zinc/19/54/96/1057195496.db2.gz DUWWNKMRGFZGHH-VQIMIIECSA-N 1 0 377.891 3.527 20 30 GHEDRO C=CCO[C@@H]1CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC001325228453 1057293993 /nfs/dbraw/zinc/29/39/93/1057293993.db2.gz OOLCGGXXNUDSHH-HSZRJFAPSA-N 1 0 378.516 3.535 20 30 GHEDRO C#CCC(C)(C)c1nnc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1CC=C ZINC001355875340 1057302026 /nfs/dbraw/zinc/30/20/26/1057302026.db2.gz BBJBZDSXLHSWBV-UHFFFAOYSA-N 1 0 397.489 3.618 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCCC4(CC[NH2+]CC4)C3)cc2)ccn1 ZINC001325285504 1057306271 /nfs/dbraw/zinc/30/62/71/1057306271.db2.gz AAXVKKHKXGBBFQ-UHFFFAOYSA-N 1 0 391.475 3.743 20 30 GHEDRO C[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC001325496514 1057334887 /nfs/dbraw/zinc/33/48/87/1057334887.db2.gz INTGKWWKHSFTEX-SJCJKPOMSA-N 1 0 389.377 3.755 20 30 GHEDRO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001356007078 1057353803 /nfs/dbraw/zinc/35/38/03/1057353803.db2.gz FNGQDMOUPUETCJ-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2OC)cc1 ZINC001356088071 1057384779 /nfs/dbraw/zinc/38/47/79/1057384779.db2.gz OTUJNKLMMFAMPL-LJQANCHMSA-N 1 0 393.487 3.888 20 30 GHEDRO C=CCn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1C1(C#N)CCCCC1 ZINC001356161208 1057412939 /nfs/dbraw/zinc/41/29/39/1057412939.db2.gz DNKCFZGRSBKUCO-UHFFFAOYSA-N 1 0 384.572 3.746 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(OCC)CCC1 ZINC001356265402 1057453156 /nfs/dbraw/zinc/45/31/56/1057453156.db2.gz IHFNOBYDWJSIKP-ICSRJNTNSA-N 1 0 399.583 3.723 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC001326520132 1057503224 /nfs/dbraw/zinc/50/32/24/1057503224.db2.gz VSMSNEYAILMQME-SFHVURJKSA-N 1 0 392.286 3.907 20 30 GHEDRO CNC(NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)=[NH+]C ZINC000849009627 1057517779 /nfs/dbraw/zinc/51/77/79/1057517779.db2.gz LTAWAOWCQRUXMK-MRXNPFEDSA-N 1 0 397.375 3.949 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001356578336 1057555517 /nfs/dbraw/zinc/55/55/17/1057555517.db2.gz MMZOJZLWKMOUGE-SFTDATJTSA-N 1 0 396.583 3.820 20 30 GHEDRO C[C@@]1(NC(=O)c2cccc(C#N)n2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439757931 1058292918 /nfs/dbraw/zinc/29/29/18/1058292918.db2.gz PYYVQWPSDVHQSV-WIOPSUGQSA-N 1 0 396.494 3.741 20 30 GHEDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)[NH+](C)C)cc1 ZINC001439959718 1058366787 /nfs/dbraw/zinc/36/67/87/1058366787.db2.gz HEYMHZAVXQZDSI-RBBKRZOGSA-N 1 0 378.520 3.559 20 30 GHEDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC001440036159 1058396233 /nfs/dbraw/zinc/39/62/33/1058396233.db2.gz WAABFMYIRRMXOK-UHFFFAOYSA-N 1 0 381.451 3.951 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC001338168667 1058433096 /nfs/dbraw/zinc/43/30/96/1058433096.db2.gz WWWSTQNGZKGIFI-HXUWFJFHSA-N 1 0 377.488 3.664 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001338621417 1058688270 /nfs/dbraw/zinc/68/82/70/1058688270.db2.gz ISZAZFHWRNEXQZ-PKOBYXMFSA-N 1 0 387.597 3.528 20 30 GHEDRO C=CCn1c(-c2ccc(C)c3ncccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001339021698 1058927048 /nfs/dbraw/zinc/92/70/48/1058927048.db2.gz DIZICDMQDFZUGF-UHFFFAOYSA-N 1 0 390.535 3.955 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339022647 1058927193 /nfs/dbraw/zinc/92/71/93/1058927193.db2.gz SBOWYSPMYXHELE-FQEVSTJZSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339140079 1058978564 /nfs/dbraw/zinc/97/85/64/1058978564.db2.gz MWQAGBAAGMXBAJ-MOPGFXCFSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCn1c(CCn2ccnc2C)nnc1N1CCC[C@](F)(c2ccccc2)C1 ZINC001339206879 1059011885 /nfs/dbraw/zinc/01/18/85/1059011885.db2.gz ZFECCIZNNUSKOM-JOCHJYFZSA-N 1 0 394.498 3.677 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC001442846828 1059016226 /nfs/dbraw/zinc/01/62/26/1059016226.db2.gz ZUMNBOKCFCXSTI-UHFFFAOYSA-N 1 0 392.543 3.961 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C)C(C)C ZINC001443432468 1059130274 /nfs/dbraw/zinc/13/02/74/1059130274.db2.gz WXPNSYPTHKCQDX-VGOFRKELSA-N 1 0 378.557 3.559 20 30 GHEDRO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001545963291 1059238752 /nfs/dbraw/zinc/23/87/52/1059238752.db2.gz TXDCBRBXQWJIAV-IBGZPJMESA-N 1 0 396.539 3.851 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001339810416 1059491632 /nfs/dbraw/zinc/49/16/32/1059491632.db2.gz LRXVAXLGGRANMQ-LJQANCHMSA-N 1 0 378.524 3.584 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC001445522060 1059551676 /nfs/dbraw/zinc/55/16/76/1059551676.db2.gz DDPARTRCKYVUJQ-SIKLNZKXSA-N 1 0 377.463 3.824 20 30 GHEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001340032795 1059636513 /nfs/dbraw/zinc/63/65/13/1059636513.db2.gz FMEYCNHEIRPRBE-LJQANCHMSA-N 1 0 388.489 3.505 20 30 GHEDRO C=CCn1c(CCc2ccc(OC)cc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340205794 1059762620 /nfs/dbraw/zinc/76/26/20/1059762620.db2.gz RAGORKFNPQJBOR-UHFFFAOYSA-N 1 0 397.567 3.533 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001340345172 1059874223 /nfs/dbraw/zinc/87/42/23/1059874223.db2.gz BEQHTQBHTBBCBM-LJQANCHMSA-N 1 0 378.524 3.502 20 30 GHEDRO C=CCn1c([C@H](C)c2ccccn2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001340410860 1059917127 /nfs/dbraw/zinc/91/71/27/1059917127.db2.gz ANHXXPBKKIQZTB-LJQANCHMSA-N 1 0 394.567 3.856 20 30 GHEDRO C=CCn1c(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nnc1C(C)(C)CC#N ZINC001340427803 1059926112 /nfs/dbraw/zinc/92/61/12/1059926112.db2.gz LHPNWGATXGXJHK-OALUTQOASA-N 1 0 384.572 3.746 20 30 GHEDRO C=CCn1c(C[C@H](C)SCC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340528844 1059964832 /nfs/dbraw/zinc/96/48/32/1059964832.db2.gz DFBSIJAYOFDVBZ-LNLFQRSKSA-N 1 0 389.613 3.601 20 30 GHEDRO C=CCc1cc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)cc(OC)c1OC ZINC001450232356 1060558632 /nfs/dbraw/zinc/55/86/32/1060558632.db2.gz WDQOSIOZFFDQIB-UHFFFAOYSA-N 1 0 386.536 3.817 20 30 GHEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001341553175 1060741305 /nfs/dbraw/zinc/74/13/05/1060741305.db2.gz SFYAOUSZFVDIDF-IBGZPJMESA-N 1 0 378.538 3.556 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001341605499 1060772276 /nfs/dbraw/zinc/77/22/76/1060772276.db2.gz YGHCLDHEFYTWNP-NRFANRHFSA-N 1 0 377.488 3.764 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCC3)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001341738663 1060848490 /nfs/dbraw/zinc/84/84/90/1060848490.db2.gz BUXRENYSBZTKOE-HSZRJFAPSA-N 1 0 397.567 3.645 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[NH+](Cc3cccc4ccccc43)CC2)n1C ZINC001341756827 1060865197 /nfs/dbraw/zinc/86/51/97/1060865197.db2.gz YKQRPJCIECSUNA-GOSISDBHSA-N 1 0 388.519 3.698 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001341781287 1060888430 /nfs/dbraw/zinc/88/84/30/1060888430.db2.gz NNZJKKRTRWXXDM-SVFBPWRDSA-N 1 0 399.583 3.797 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)s1 ZINC001452138916 1060905360 /nfs/dbraw/zinc/90/53/60/1060905360.db2.gz SCSDEGPNZAPJIP-UONOGXRCSA-N 1 0 388.002 3.684 20 30 GHEDRO C=C(C)Cn1c([C@H](OC)C2CC2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001341824546 1060911150 /nfs/dbraw/zinc/91/11/50/1060911150.db2.gz NOELQACYUNHMNS-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)CC1 ZINC001341881756 1060934369 /nfs/dbraw/zinc/93/43/69/1060934369.db2.gz HFEPZLNSVSJCRE-LJQANCHMSA-N 1 0 380.540 3.654 20 30 GHEDRO C=C(C)Cn1c(-c2n[nH]c(C)c2Cl)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001341990359 1060984840 /nfs/dbraw/zinc/98/48/40/1060984840.db2.gz XLXXNLVIYYJNJY-UHFFFAOYSA-N 1 0 391.951 3.517 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342012211 1060994775 /nfs/dbraw/zinc/99/47/75/1060994775.db2.gz AUTRXRUWVBWCJM-RYRKJORJSA-N 1 0 391.510 3.820 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[NH+](CC)CC)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001342089000 1061049640 /nfs/dbraw/zinc/04/96/40/1061049640.db2.gz RWCQPXPTIBYERL-WMZHIEFXSA-N 1 0 396.583 3.748 20 30 GHEDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001342112992 1061064221 /nfs/dbraw/zinc/06/42/21/1061064221.db2.gz XHXPOZIGRXCGQP-UHFFFAOYSA-N 1 0 394.544 3.810 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001342210847 1061138955 /nfs/dbraw/zinc/13/89/55/1061138955.db2.gz ULCQMXGXRHGNQD-ZWKOTPCHSA-N 1 0 377.554 3.508 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342224960 1061152516 /nfs/dbraw/zinc/15/25/16/1061152516.db2.gz JZMQWVBVTKIKEK-LJQANCHMSA-N 1 0 394.567 3.856 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2Cc2cccs2)CC1 ZINC001346076079 1061342378 /nfs/dbraw/zinc/34/23/78/1061342378.db2.gz VZTFVRQQDNWIST-IEBWSBKVSA-N 1 0 398.580 3.572 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(c2nnc([C@@H](C)CCC#N)n2Cc2cccs2)CC1 ZINC001346087098 1061351796 /nfs/dbraw/zinc/35/17/96/1061351796.db2.gz ZVVUIKMRIUPDDQ-IRXDYDNUSA-N 1 0 386.569 3.716 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(C3(C#N)CCCCC3)n2CC2CC2)CC1 ZINC001346104125 1061365846 /nfs/dbraw/zinc/36/58/46/1061365846.db2.gz RVQATQBTBSZIDF-UHFFFAOYSA-N 1 0 384.572 3.724 20 30 GHEDRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(Cl)n1 ZINC001346542072 1061667092 /nfs/dbraw/zinc/66/70/92/1061667092.db2.gz GOSQETMBMZSLSV-UHFFFAOYSA-N 1 0 383.883 3.701 20 30 GHEDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C[C@]2(C)C1 ZINC001454288938 1061700137 /nfs/dbraw/zinc/70/01/37/1061700137.db2.gz VTUGVYDUYICRCN-GOTSBHOMSA-N 1 0 375.472 3.764 20 30 GHEDRO N#Cc1ccc(C(=O)O[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)o1 ZINC001347301599 1062283500 /nfs/dbraw/zinc/28/35/00/1062283500.db2.gz SHPQAIGTCLCJTA-SFHVURJKSA-N 1 0 380.444 3.522 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3(C#N)CCCCC3)n2CC2CC2)C1 ZINC001347809204 1062687542 /nfs/dbraw/zinc/68/75/42/1062687542.db2.gz VOPZRXCEPOQNJK-IBGZPJMESA-N 1 0 384.572 3.582 20 30 GHEDRO N#Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c(Cl)c([N+](=O)[O-])c1 ZINC001435632512 1062796083 /nfs/dbraw/zinc/79/60/83/1062796083.db2.gz PKNBJOYEXSLFMI-UHFFFAOYSA-N 1 0 388.811 3.951 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001435655804 1062817226 /nfs/dbraw/zinc/81/72/26/1062817226.db2.gz CJNQRAPKJPPTMZ-IPMKNSEASA-N 1 0 394.906 3.637 20 30 GHEDRO CCN(c1nnc(C2CCN(CCC#N)CC2)n1Cc1cccs1)C(C)C ZINC001348391842 1063044756 /nfs/dbraw/zinc/04/47/56/1063044756.db2.gz MNXSQXOBMHHWRQ-UHFFFAOYSA-N 1 0 386.569 3.716 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2c(C)cc(C)cc2c1O)C(C)C ZINC001457534537 1063228663 /nfs/dbraw/zinc/22/86/63/1063228663.db2.gz TVIXPCQVKGTESY-HXUWFJFHSA-N 1 0 381.520 3.573 20 30 GHEDRO CCC(CC)[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)[NH+]1CCOCC1 ZINC001458082851 1063553082 /nfs/dbraw/zinc/55/30/82/1063553082.db2.gz IZZGRKIHHMGPPT-HXUWFJFHSA-N 1 0 395.507 3.689 20 30 GHEDRO C=CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1ccccc1 ZINC001436846140 1063670829 /nfs/dbraw/zinc/67/08/29/1063670829.db2.gz LXIWNLJMSDEYNU-WXFUMESZSA-N 1 0 392.543 4.000 20 30 GHEDRO C=CCC[C@H]1CCCN1c1nnc(C2CC[NH+](C)CC2)n1C[C@H]1CCCCO1 ZINC001349411096 1063705061 /nfs/dbraw/zinc/70/50/61/1063705061.db2.gz HYZZYTDGXSIAPF-VQTJNVASSA-N 1 0 387.572 3.591 20 30 GHEDRO C[NH+]1CCC(CNC(=O)c2cccc(SCC#N)c2)(c2ccccc2)CC1 ZINC001438108841 1063984662 /nfs/dbraw/zinc/98/46/62/1063984662.db2.gz FSKOJQIDCIJGJK-UHFFFAOYSA-N 1 0 379.529 3.696 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC001438250337 1064017205 /nfs/dbraw/zinc/01/72/05/1064017205.db2.gz NOXQCIBUBKYDTB-GOSISDBHSA-N 1 0 392.286 3.663 20 30 GHEDRO C[NH+]1CCC(n2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)cn2)CC1 ZINC001438393692 1064047603 /nfs/dbraw/zinc/04/76/03/1064047603.db2.gz BYGXMYGQUKYRLF-UHFFFAOYSA-N 1 0 384.483 3.802 20 30 GHEDRO N#Cc1cccc2[nH]cc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)c21 ZINC001350462888 1064094709 /nfs/dbraw/zinc/09/47/09/1064094709.db2.gz JCYWHYVYPTZBKX-VQTJNVASSA-N 1 0 384.483 3.634 20 30 GHEDRO CC[C@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)c1cccc(C#N)c1 ZINC001459697528 1064175706 /nfs/dbraw/zinc/17/57/06/1064175706.db2.gz WLSBCCPCINQBBB-MGPUTAFESA-N 1 0 376.460 3.541 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001439111519 1064177788 /nfs/dbraw/zinc/17/77/88/1064177788.db2.gz PNGSNQIRKHUCNA-RDGATRHJSA-N 1 0 390.527 3.774 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CCC)[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC001459748028 1064198838 /nfs/dbraw/zinc/19/88/38/1064198838.db2.gz LWJPBHZRCLGKSJ-SFHVURJKSA-N 1 0 377.488 3.736 20 30 GHEDRO Cc1ccc(N(C)[C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC001459811261 1064227475 /nfs/dbraw/zinc/22/74/75/1064227475.db2.gz BAKJEICPPUAKGS-PKTZIBPZSA-N 1 0 388.515 3.573 20 30 GHEDRO Cc1ccc(N(C)[C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC001459811256 1064227582 /nfs/dbraw/zinc/22/75/82/1064227582.db2.gz BAKJEICPPUAKGS-GOTSBHOMSA-N 1 0 388.515 3.573 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001460035746 1064364294 /nfs/dbraw/zinc/36/42/94/1064364294.db2.gz CRVYCQRFLPLBJW-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO N#CC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSCC1 ZINC001351783594 1064601564 /nfs/dbraw/zinc/60/15/64/1064601564.db2.gz RRWYEJSJVJSXOA-IHWFROFDSA-N 1 0 383.561 3.725 20 30 GHEDRO C=CCn1c(-c2sc(C)nc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001352049727 1064792941 /nfs/dbraw/zinc/79/29/41/1064792941.db2.gz IVRAACZVWSYQMB-UHFFFAOYSA-N 1 0 388.585 3.761 20 30 GHEDRO C=CCn1c([C@H](OC)c2cccs2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001352161181 1064895748 /nfs/dbraw/zinc/89/57/48/1064895748.db2.gz AOZSFBBFOBHJRE-QGZVFWFLSA-N 1 0 389.569 3.572 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)C(=O)/C=C\c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC001464581963 1065095083 /nfs/dbraw/zinc/09/50/83/1065095083.db2.gz FPZDUJLUIPGCIP-YDTSGJJXSA-N 1 0 380.463 3.670 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001464769105 1065202130 /nfs/dbraw/zinc/20/21/30/1065202130.db2.gz IJOKPYUMZWIYCT-KRWDZBQOSA-N 1 0 395.931 3.765 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2[nH]c3ccccc3c2C#N)cc1Cl ZINC001465054671 1065357125 /nfs/dbraw/zinc/35/71/25/1065357125.db2.gz OJUJEMNEMGADBE-UHFFFAOYSA-N 1 0 382.851 3.886 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001465729992 1065815912 /nfs/dbraw/zinc/81/59/12/1065815912.db2.gz DJJQTJAYUUGSJE-UHFFFAOYSA-N 1 0 379.464 3.695 20 30 GHEDRO C=CCNC(=S)Nc1ccccc1C[N@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC001200295285 1065845220 /nfs/dbraw/zinc/84/52/20/1065845220.db2.gz FDNYVFWHNYGKTR-IBGZPJMESA-N 1 0 389.952 3.978 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300281371 1065917203 /nfs/dbraw/zinc/91/72/03/1065917203.db2.gz CEAVAHNQABHXGI-XLIONFOSSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)C)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001300309279 1065966522 /nfs/dbraw/zinc/96/65/22/1065966522.db2.gz GMORLKVHSNLMOO-IBGZPJMESA-N 1 0 381.568 3.825 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300313728 1065973643 /nfs/dbraw/zinc/97/36/43/1065973643.db2.gz ODWUNFBRYYBXHY-HXUWFJFHSA-N 1 0 393.579 3.900 20 30 GHEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1 ZINC001353509044 1065987324 /nfs/dbraw/zinc/98/73/24/1065987324.db2.gz SNXGFAVLJWAPIO-GOSISDBHSA-N 1 0 394.475 3.544 20 30 GHEDRO CCc1noc(CC)c1CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748736 1066037439 /nfs/dbraw/zinc/03/74/39/1066037439.db2.gz HJLWYYAZXVLWRR-UHFFFAOYSA-N 1 0 395.503 3.691 20 30 GHEDRO N#CC1(COC(=O)c2ccnn2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748807 1066039466 /nfs/dbraw/zinc/03/94/66/1066039466.db2.gz IXCOWQMZUFZQBC-UHFFFAOYSA-N 1 0 392.503 3.961 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)[C@H]2C1 ZINC001466277321 1066069154 /nfs/dbraw/zinc/06/91/54/1066069154.db2.gz NNYIHDRBWKVIAT-RYGJVYDSSA-N 1 0 376.460 3.812 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001466342520 1066102112 /nfs/dbraw/zinc/10/21/12/1066102112.db2.gz CZFDIOWUNUPZOV-OLZOCXBDSA-N 1 0 384.402 3.699 20 30 GHEDRO C#CCCCn1c(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nnc1C(C)(C)C ZINC001300424839 1066300327 /nfs/dbraw/zinc/30/03/27/1066300327.db2.gz MWKPHHIWOGGNBH-LJQANCHMSA-N 1 0 379.552 3.700 20 30 GHEDRO C[C@](O)(C[NH2+]Cc1cc(C#N)ccc1Br)c1ccc(F)cc1F ZINC001200469637 1066310466 /nfs/dbraw/zinc/31/04/66/1066310466.db2.gz BCWORHVQLKZCPJ-KRWDZBQOSA-N 1 0 381.220 3.596 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCC[N@H+]1CC ZINC001300430148 1066311128 /nfs/dbraw/zinc/31/11/28/1066311128.db2.gz IEVVFYGBAWLSAJ-MSOLQXFVSA-N 1 0 399.514 3.501 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cc(CC#N)ccn2)C1 ZINC001467112283 1067075400 /nfs/dbraw/zinc/07/54/00/1067075400.db2.gz GSFQRXGQSDRQDP-QGZVFWFLSA-N 1 0 377.492 3.701 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccccc1 ZINC001357641415 1067211571 /nfs/dbraw/zinc/21/15/71/1067211571.db2.gz AFHFKFNGQBGFPZ-FPOVZHCZSA-N 1 0 392.551 3.798 20 30 GHEDRO C#CCC1(NC(=O)NCc2ccccc2OCC[NH+](CC)CC)CCCCC1 ZINC001467602022 1067379910 /nfs/dbraw/zinc/37/99/10/1067379910.db2.gz ZZXGNICBORMJPZ-UHFFFAOYSA-N 1 0 385.552 3.933 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001358893710 1067600222 /nfs/dbraw/zinc/60/02/22/1067600222.db2.gz ZYEDEMCQKSLRLA-RXVVDRJESA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358940893 1067622726 /nfs/dbraw/zinc/62/27/26/1067622726.db2.gz QTPGINMMLMQEFG-SJORKVTESA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001358951818 1067628226 /nfs/dbraw/zinc/62/82/26/1067628226.db2.gz MXOSZUQXVSWUQT-JOCHJYFZSA-N 1 0 393.579 3.501 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)(C)C)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359000565 1067643252 /nfs/dbraw/zinc/64/32/52/1067643252.db2.gz YWSQOMZURAHQIV-IBGZPJMESA-N 1 0 381.568 3.946 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)(C)C)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359000566 1067643394 /nfs/dbraw/zinc/64/33/94/1067643394.db2.gz YWSQOMZURAHQIV-LJQANCHMSA-N 1 0 381.568 3.946 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccn2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359006503 1067648881 /nfs/dbraw/zinc/64/88/81/1067648881.db2.gz XMCLTCCSLCPITQ-BGYRXZFFSA-N 1 0 394.567 3.558 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[N@@H+](C)[C@H](C)CC ZINC001359072906 1067672915 /nfs/dbraw/zinc/67/29/15/1067672915.db2.gz VGPVCKGJCQUYJE-DYESRHJHSA-N 1 0 385.581 3.653 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359106774 1067686671 /nfs/dbraw/zinc/68/66/71/1067686671.db2.gz QGSZTMNJXZHJJE-UHFFFAOYSA-N 1 0 389.588 3.623 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001359114783 1067693604 /nfs/dbraw/zinc/69/36/04/1067693604.db2.gz YZTWVNJCFJEPMH-FQEVSTJZSA-N 1 0 382.556 3.541 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001359162171 1067717873 /nfs/dbraw/zinc/71/78/73/1067717873.db2.gz GMYSKGQQOWZRRC-SFHVURJKSA-N 1 0 383.540 3.840 20 30 GHEDRO Cc1cc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)nc(N2CCCC2)n1 ZINC000849103088 1067729448 /nfs/dbraw/zinc/72/94/48/1067729448.db2.gz GTLQGUONVDYSPD-UHFFFAOYSA-N 1 0 378.524 3.839 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001359176699 1067735410 /nfs/dbraw/zinc/73/54/10/1067735410.db2.gz KUEOATDASMCCMS-FQEVSTJZSA-N 1 0 383.515 3.827 20 30 GHEDRO C#C[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001468611724 1067791000 /nfs/dbraw/zinc/79/10/00/1067791000.db2.gz AFTIWOPEYCWNIL-HSZRJFAPSA-N 1 0 381.564 3.919 20 30 GHEDRO C=CCCCn1c(Cc2ccccn2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359217935 1067794440 /nfs/dbraw/zinc/79/44/40/1067794440.db2.gz RYRMRGMGTARMBM-UHFFFAOYSA-N 1 0 382.556 3.541 20 30 GHEDRO C=CCCCn1c(CC2CC2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001359218589 1067796289 /nfs/dbraw/zinc/79/62/89/1067796289.db2.gz NXJQDHRSTSHYDT-OAQYLSRUSA-N 1 0 379.552 3.908 20 30 GHEDRO C=CCCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359219271 1067796680 /nfs/dbraw/zinc/79/66/80/1067796680.db2.gz LTGUGZNRMDIKQE-PMACEKPBSA-N 1 0 397.567 3.785 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001359235377 1067839708 /nfs/dbraw/zinc/83/97/08/1067839708.db2.gz XJXXMONSSBCKOW-HNNXBMFYSA-N 1 0 389.931 3.571 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(OC)cc2)n1CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC001359248155 1067887838 /nfs/dbraw/zinc/88/78/38/1067887838.db2.gz CELVGWVBZSWUPD-QGZVFWFLSA-N 1 0 381.524 3.593 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001359249470 1067897656 /nfs/dbraw/zinc/89/76/56/1067897656.db2.gz BZAJLVYKKFUFJV-LJQANCHMSA-N 1 0 380.540 3.678 20 30 GHEDRO C=CCN(c1nnc(-c2cccnc2)n1CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC001359249995 1067898069 /nfs/dbraw/zinc/89/80/69/1067898069.db2.gz XWKLEZJCHRQVIJ-SFHVURJKSA-N 1 0 380.540 3.759 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849534232 1067899926 /nfs/dbraw/zinc/89/99/26/1067899926.db2.gz HJOYXKZPOREOSB-VXKWHMMOSA-N 1 0 386.584 3.829 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001359250204 1067900716 /nfs/dbraw/zinc/90/07/16/1067900716.db2.gz DYKCNKRXEMEOKT-PKOBYXMFSA-N 1 0 385.512 3.570 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359270378 1067936867 /nfs/dbraw/zinc/93/68/67/1067936867.db2.gz MVQNWHPELCPZAP-IBGZPJMESA-N 1 0 392.507 3.723 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359273403 1067941541 /nfs/dbraw/zinc/94/15/41/1067941541.db2.gz YYZNHKNGAGTZOF-FQEVSTJZSA-N 1 0 394.567 3.563 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001469116856 1067985116 /nfs/dbraw/zinc/98/51/16/1067985116.db2.gz FYMJFMSEMYNOIC-SFHVURJKSA-N 1 0 379.504 3.678 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359470330 1068067008 /nfs/dbraw/zinc/06/70/08/1068067008.db2.gz VXNYJRDVXPMPBS-SJLPKXTDSA-N 1 0 394.548 3.905 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)cc1F ZINC001469322246 1068102076 /nfs/dbraw/zinc/10/20/76/1068102076.db2.gz COKCUKDXJRBXEW-NHCUHLMSSA-N 1 0 381.426 3.718 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@H]1c1ccc(F)cc1 ZINC001469412447 1068150257 /nfs/dbraw/zinc/15/02/57/1068150257.db2.gz QGCSRAVDTOIGNV-NHCUHLMSSA-N 1 0 392.478 3.821 20 30 GHEDRO C[C@@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001469757124 1068363954 /nfs/dbraw/zinc/36/39/54/1068363954.db2.gz UOWPGMXMDCGAHU-BSDZUQITSA-N 1 0 388.515 3.879 20 30 GHEDRO C[C@H](Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360588477 1068573455 /nfs/dbraw/zinc/57/34/55/1068573455.db2.gz XEQJWWKJWDCDSI-MRXNPFEDSA-N 1 0 380.540 3.566 20 30 GHEDRO CC1(C#N)CCN(c2nnc(-c3ccc[nH]3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001360788942 1068630875 /nfs/dbraw/zinc/63/08/75/1068630875.db2.gz KWVQLFGOTWQUFW-UHFFFAOYSA-N 1 0 395.555 3.669 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCOc2ccccc2C#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460335171 1068930317 /nfs/dbraw/zinc/93/03/17/1068930317.db2.gz HCKXZTSJCFVJDW-MJGOQNOKSA-N 1 0 387.524 3.952 20 30 GHEDRO CCC1([NH+](C)C)CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC001460574906 1069003947 /nfs/dbraw/zinc/00/39/47/1069003947.db2.gz GAKZUOVIRCICEA-HXUWFJFHSA-N 1 0 384.568 3.745 20 30 GHEDRO COC[C@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001460578264 1069005234 /nfs/dbraw/zinc/00/52/34/1069005234.db2.gz PTPCBJZQBSTVTQ-HTAPYJJXSA-N 1 0 377.488 3.911 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001460680829 1069081400 /nfs/dbraw/zinc/08/14/00/1069081400.db2.gz LHSALGDUQVQMHK-FQEVSTJZSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@]34CCOC4)sc2C1 ZINC001460960703 1069298878 /nfs/dbraw/zinc/29/88/78/1069298878.db2.gz SLBTVLVYXKJZKK-BTYIYWSLSA-N 1 0 387.549 3.718 20 30 GHEDRO C[C@@H]1CCC[C@H](C2CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C2)C1 ZINC001470672542 1072680936 /nfs/dbraw/zinc/68/09/36/1072680936.db2.gz VAWGKCSCGKPPCW-NQIIRXRSSA-N 1 0 394.563 3.990 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001470963049 1072850225 /nfs/dbraw/zinc/85/02/25/1072850225.db2.gz NYFDNEUEZSLIFT-SFHVURJKSA-N 1 0 375.497 3.738 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC=CC34CCCCC4)CC2)c1 ZINC001478902600 1079021835 /nfs/dbraw/zinc/02/18/35/1079021835.db2.gz XNRGKVGSAGNYMD-UHFFFAOYSA-N 1 0 378.520 3.807 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001546189172 1073235126 /nfs/dbraw/zinc/23/51/26/1073235126.db2.gz XHTLPVKJWUQKIL-UHFFFAOYSA-N 1 0 394.567 3.978 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001479103186 1079104384 /nfs/dbraw/zinc/10/43/84/1079104384.db2.gz SIHHKDQNMUAZTJ-NQIIRXRSSA-N 1 0 390.531 3.861 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1C#N ZINC001479144752 1079122198 /nfs/dbraw/zinc/12/21/98/1079122198.db2.gz XOTLFZVRKHGDLD-IBGZPJMESA-N 1 0 386.565 3.876 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001472653608 1073597420 /nfs/dbraw/zinc/59/74/20/1073597420.db2.gz XDCNXXIHZKZLSF-UHFFFAOYSA-N 1 0 391.906 3.994 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(Nc3cc(F)c(C#N)cc3[N+](=O)[O-])c2)CC1 ZINC001472750127 1073648272 /nfs/dbraw/zinc/64/82/72/1073648272.db2.gz NXAFKDYIIKTIAF-UHFFFAOYSA-N 1 0 383.427 3.880 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C(=O)OCC)C(C)(C)C ZINC001472961807 1073735562 /nfs/dbraw/zinc/73/55/62/1073735562.db2.gz DBWBIBRQHANELF-KRWDZBQOSA-N 1 0 394.585 3.562 20 30 GHEDRO CC(C)[N@@H+](Cc1cc(C#N)ccn1)C[C@H](O)COc1cccc2ccccc21 ZINC001473150322 1073810375 /nfs/dbraw/zinc/81/03/75/1073810375.db2.gz ITAXZISDCFBBEW-NRFANRHFSA-N 1 0 375.472 3.757 20 30 GHEDRO C[C@@H](CN1CCOCC1)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001473232083 1073877260 /nfs/dbraw/zinc/87/72/60/1073877260.db2.gz YJRNETSCXKIBAP-IBGZPJMESA-N 1 0 381.495 3.668 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC001473449939 1073969094 /nfs/dbraw/zinc/96/90/94/1073969094.db2.gz WPEGFHNDWQFPOX-IBGZPJMESA-N 1 0 390.405 3.594 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)CCc2cccc(Br)c2)cc1 ZINC001473507606 1073993865 /nfs/dbraw/zinc/99/38/65/1073993865.db2.gz FIIDIFRBRANJFV-UHFFFAOYSA-N 1 0 385.305 3.934 20 30 GHEDRO CCOc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)nn1 ZINC001473663907 1074073508 /nfs/dbraw/zinc/07/35/08/1074073508.db2.gz QYFFZIQCGLJHJM-UHFFFAOYSA-N 1 0 399.498 3.736 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CC1 ZINC001479467121 1079213325 /nfs/dbraw/zinc/21/33/25/1079213325.db2.gz MGUHTTRNBYKTCO-GGAORHGYSA-N 1 0 389.499 3.648 20 30 GHEDRO CC1(C)CC[C@H]([NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@@H](c2ccccc2)C1 ZINC001473743954 1074119736 /nfs/dbraw/zinc/11/97/36/1074119736.db2.gz YFAVUHWWVKSEDF-MOPGFXCFSA-N 1 0 375.476 3.759 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001479475403 1079215053 /nfs/dbraw/zinc/21/50/53/1079215053.db2.gz XIHFJCYKLOEQII-CQSZACIVSA-N 1 0 398.320 3.628 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+]CC2(C3(O)CCC3)CCC2)c1 ZINC001473786650 1074142456 /nfs/dbraw/zinc/14/24/56/1074142456.db2.gz GHQPJLHNPAOOSJ-IBGZPJMESA-N 1 0 383.536 3.614 20 30 GHEDRO C#CCN(C(=O)NCc1ccccc1SC(F)(F)F)C1CC[NH+](C)CC1 ZINC001479542052 1079225644 /nfs/dbraw/zinc/22/56/44/1079225644.db2.gz TXCVAVXJYSJYBJ-UHFFFAOYSA-N 1 0 385.455 3.538 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(I)cc2)cc1 ZINC001474151109 1074278198 /nfs/dbraw/zinc/27/81/98/1074278198.db2.gz ICSGLFAHOVLXDK-UHFFFAOYSA-N 1 0 377.225 3.593 20 30 GHEDRO C[C@H]1C[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001493344454 1079261612 /nfs/dbraw/zinc/26/16/12/1079261612.db2.gz WMGGHQDZZFXCRR-PXNSSMCTSA-N 1 0 392.551 3.783 20 30 GHEDRO CC(C)(C)CC[C@@H](C[NH2+]CCNc1ccc(C#N)cn1)NC(=O)OC(C)(C)C ZINC001474721878 1074533565 /nfs/dbraw/zinc/53/35/65/1074533565.db2.gz MSWQHSYRLVLYSZ-KRWDZBQOSA-N 1 0 389.544 3.674 20 30 GHEDRO Cc1nn(-c2ccccc2F)cc1CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001474728182 1074535919 /nfs/dbraw/zinc/53/59/19/1074535919.db2.gz RLVGHCDBJFZTFH-QFIPXVFZSA-N 1 0 376.435 3.765 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493700306 1079288120 /nfs/dbraw/zinc/28/81/20/1079288120.db2.gz XZIAJYOJBQVGQO-SQNIBIBYSA-N 1 0 398.530 3.943 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001493846806 1079303232 /nfs/dbraw/zinc/30/32/32/1079303232.db2.gz XVOXVOXQFFODDK-PGRDOPGGSA-N 1 0 378.524 3.559 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001493845307 1079303607 /nfs/dbraw/zinc/30/36/07/1079303607.db2.gz KRFHKHPGAFBTRA-HZPDHXFCSA-N 1 0 386.931 3.821 20 30 GHEDRO CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001493919640 1079308698 /nfs/dbraw/zinc/30/86/98/1079308698.db2.gz CLMDYIGWUFZDPW-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO CC1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001494073627 1079321189 /nfs/dbraw/zinc/32/11/89/1079321189.db2.gz NGEXIEJMVGVDCP-QHCPKHFHSA-N 1 0 392.551 3.807 20 30 GHEDRO CC1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001494073582 1079321228 /nfs/dbraw/zinc/32/12/28/1079321228.db2.gz NGEXIEJMVGVDCP-HSZRJFAPSA-N 1 0 392.551 3.807 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC001475212074 1074787928 /nfs/dbraw/zinc/78/79/28/1074787928.db2.gz OUIOXJKCHFVGTR-UHFFFAOYSA-N 1 0 383.945 3.535 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]2CCCC[C@@H]21)[NH+](C)C ZINC001494235798 1079325750 /nfs/dbraw/zinc/32/57/50/1079325750.db2.gz KCGQOQNSIHKMOI-OVQGTLEDSA-N 1 0 392.551 3.782 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1C ZINC001475325188 1074834123 /nfs/dbraw/zinc/83/41/23/1074834123.db2.gz SRPUUNAIYXKOLR-PKOBYXMFSA-N 1 0 398.617 3.574 20 30 GHEDRO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001476057101 1075077086 /nfs/dbraw/zinc/07/70/86/1075077086.db2.gz SHBAGBXLYSGRIK-UHFFFAOYSA-N 1 0 381.480 3.845 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H](C)C1 ZINC001476094621 1075083797 /nfs/dbraw/zinc/08/37/97/1075083797.db2.gz AILFJCDLONKNLR-INIZCTEOSA-N 1 0 396.466 3.834 20 30 GHEDRO CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001500467069 1079604820 /nfs/dbraw/zinc/60/48/20/1079604820.db2.gz YBVLPUQEOIQCPW-FQEVSTJZSA-N 1 0 378.524 3.681 20 30 GHEDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(C#N)ccc1Br ZINC001648466814 1126250498 /nfs/dbraw/zinc/25/04/98/1126250498.db2.gz PSSJJCMBZDBBLW-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO N#Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000004792155 204075587 /nfs/dbraw/zinc/07/55/87/204075587.db2.gz OVUOMDZSIWRPSO-UHFFFAOYSA-N 1 0 397.910 3.545 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C(=O)[O-])cc1 ZINC000739108866 600597083 /nfs/dbraw/zinc/59/70/83/600597083.db2.gz XLZOIVNYOQZSHT-QFIPXVFZSA-N 1 0 377.488 3.850 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828257568 601300389 /nfs/dbraw/zinc/30/03/89/601300389.db2.gz GARMWDUWCUECEY-VGOFRKELSA-N 1 0 377.488 3.848 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828266278 601300638 /nfs/dbraw/zinc/30/06/38/601300638.db2.gz RLLJYGDVNOIAQD-VGOFRKELSA-N 1 0 377.488 3.706 20 30 GHEDRO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434672 608549874 /nfs/dbraw/zinc/54/98/74/608549874.db2.gz DJMUWCRKAKVPMQ-HZPDHXFCSA-N 1 0 376.464 3.741 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164415051 718879957 /nfs/dbraw/zinc/87/99/57/718879957.db2.gz ZSJRZLJULFWZDN-GFCCVEGCSA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cnc1Cl ZINC001164628731 719046523 /nfs/dbraw/zinc/04/65/23/719046523.db2.gz ZNLLLFMDSUHPNJ-MJGOQNOKSA-N 1 0 388.849 3.735 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)[C@H]2CC ZINC001164700192 719823921 /nfs/dbraw/zinc/82/39/21/719823921.db2.gz JIXPCIVOSBLYCQ-NZQKXSOJSA-N 1 0 382.552 3.602 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(Cl)cc1C#N)CC2 ZINC001164840882 720704660 /nfs/dbraw/zinc/70/46/60/720704660.db2.gz RIVCTOIVUJTXHW-FQEVSTJZSA-N 1 0 396.922 3.867 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2 ZINC001164795899 721498538 /nfs/dbraw/zinc/49/85/38/721498538.db2.gz MLNBHTRJCZVYEN-UHFFFAOYSA-N 1 0 386.503 3.711 20 30 GHEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)CCC1 ZINC001164910274 721532711 /nfs/dbraw/zinc/53/27/11/721532711.db2.gz UAKOIBBBCVGZIR-TZIWHRDSSA-N 1 0 392.478 3.508 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@@H]21 ZINC001165022135 721802495 /nfs/dbraw/zinc/80/24/95/721802495.db2.gz HZXIFAYJOWSYEO-IMFGXOCKSA-N 1 0 381.911 3.739 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(C#N)c[nH]c4n3)C[C@H]21 ZINC001165027119 721815412 /nfs/dbraw/zinc/81/54/12/721815412.db2.gz SJDSMTUJTWLCSA-ZLGUVYLKSA-N 1 0 386.503 3.566 20 30 GHEDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1CC#N ZINC001165029672 721825815 /nfs/dbraw/zinc/82/58/15/721825815.db2.gz XLCVZDDERLGXRN-KSEOMHKRSA-N 1 0 375.520 3.588 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(CC#N)c(C)n4)CC3)C2)cc1 ZINC001164939676 721932132 /nfs/dbraw/zinc/93/21/32/721932132.db2.gz OCTXVQNCERODRR-UHFFFAOYSA-N 1 0 390.531 3.636 20 30 GHEDRO COc1cc(OC)cc(C2(F)CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1 ZINC000580821063 837411216 /nfs/dbraw/zinc/41/12/16/837411216.db2.gz DNQBIPKEBDEXAZ-UHFFFAOYSA-N 1 0 384.451 3.915 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000255066478 837492225 /nfs/dbraw/zinc/49/22/25/837492225.db2.gz DUUUNUXDUOUGAI-YRBAHSOBSA-N 1 0 397.482 3.854 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000613310203 837568932 /nfs/dbraw/zinc/56/89/32/837568932.db2.gz XQUCDFRLBUIIRI-QFIPXVFZSA-N 1 0 380.532 3.887 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C3(c4cccc(C#N)c4)CC3)C2)s1 ZINC000582007639 837771057 /nfs/dbraw/zinc/77/10/57/837771057.db2.gz CWAYYRHSXZFDEH-LJQANCHMSA-N 1 0 393.556 3.940 20 30 GHEDRO C=C(C)[C@@H](CO)[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000683102983 834478760 /nfs/dbraw/zinc/47/87/60/834478760.db2.gz ICNLGOIOPSXWFR-MRXNPFEDSA-N 1 0 392.297 3.616 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000255568264 834503012 /nfs/dbraw/zinc/50/30/12/834503012.db2.gz LCNCJWOLXIMTTM-KHPPLWFESA-N 1 0 396.560 3.916 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000278760464 834535354 /nfs/dbraw/zinc/53/53/54/834535354.db2.gz OPCNTMLWSQPWCH-JOCHJYFZSA-N 1 0 397.544 3.593 20 30 GHEDRO C[NH+](C)CCCOC1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458797396 834699144 /nfs/dbraw/zinc/69/91/44/834699144.db2.gz GGSWRFPKFXBVPE-NRFANRHFSA-N 1 0 386.540 3.564 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cn2cccc(C)c2n1 ZINC000052485654 834808007 /nfs/dbraw/zinc/80/80/07/834808007.db2.gz ZENSYJKLZFWSJY-UHFFFAOYSA-N 1 0 396.564 3.741 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCCOc1ccccc1 ZINC000583712749 834913062 /nfs/dbraw/zinc/91/30/62/834913062.db2.gz XAGYBDJZGPNXLD-GOSISDBHSA-N 1 0 383.467 3.862 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)s1 ZINC000176976716 837829520 /nfs/dbraw/zinc/82/95/20/837829520.db2.gz SVZQTFQARLXOBO-MRXNPFEDSA-N 1 0 377.416 3.506 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000139982467 835010024 /nfs/dbraw/zinc/01/00/24/835010024.db2.gz YOPZRRGVZXEOKK-UHFFFAOYSA-N 1 0 393.535 3.542 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1Cl ZINC000583769032 835010402 /nfs/dbraw/zinc/01/04/02/835010402.db2.gz LMZWCUIDWSMACQ-JOCHJYFZSA-N 1 0 379.891 3.950 20 30 GHEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000583830826 835116551 /nfs/dbraw/zinc/11/65/51/835116551.db2.gz WGOURJRCCFSSGA-LJQANCHMSA-N 1 0 379.508 3.982 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2SCCc3ccccc32)c(-c2ccncc2)n1 ZINC000433326811 844019388 /nfs/dbraw/zinc/01/93/88/844019388.db2.gz PKWUJBLDVGMIFR-OAQYLSRUSA-N 1 0 389.528 3.979 20 30 GHEDRO COc1cc(CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)ccc1C#N ZINC000583845172 835126291 /nfs/dbraw/zinc/12/62/91/835126291.db2.gz ZYUTYYOHKAVSMN-OAQYLSRUSA-N 1 0 394.519 3.523 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(-c2ccncc2)n1 ZINC000583868201 835174776 /nfs/dbraw/zinc/17/47/76/835174776.db2.gz ZPLLUVZOJPWTGY-JOCHJYFZSA-N 1 0 391.519 3.640 20 30 GHEDRO C[C@@H](Sc1ccc(C#N)cc1F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610219120 835204415 /nfs/dbraw/zinc/20/44/15/835204415.db2.gz YWWVSOMYPRZZST-QAPCUYQASA-N 1 0 383.492 3.569 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[N@H+](CC3CCCCC3)CC2)c(C#N)c1C ZINC000578118640 835247763 /nfs/dbraw/zinc/24/77/63/835247763.db2.gz AWOCGUCWPPQRNB-QGZVFWFLSA-N 1 0 386.540 3.683 20 30 GHEDRO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC000512960644 844036243 /nfs/dbraw/zinc/03/62/43/844036243.db2.gz CWOHCAULZKJWHB-QGZVFWFLSA-N 1 0 391.368 3.720 20 30 GHEDRO Cn1cc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1C#N ZINC000278518702 835285195 /nfs/dbraw/zinc/28/51/95/835285195.db2.gz ROIGPADHWARRGT-UHFFFAOYSA-N 1 0 379.382 3.591 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000157638750 835290566 /nfs/dbraw/zinc/29/05/66/835290566.db2.gz LIUSFCGBBDBTOU-HNNXBMFYSA-N 1 0 375.463 3.953 20 30 GHEDRO N#CCCn1cc(CNC2CC[NH+](C3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000278562674 835400102 /nfs/dbraw/zinc/40/01/02/835400102.db2.gz COKKVDOHLWATHJ-UHFFFAOYSA-N 1 0 392.551 3.745 20 30 GHEDRO COc1cc(N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc(OC)c1OC ZINC000278571903 835439847 /nfs/dbraw/zinc/43/98/47/835439847.db2.gz CBPPVUPKVMDFDK-UHFFFAOYSA-N 1 0 375.513 3.554 20 30 GHEDRO N#Cc1cc2c(n(C[C@@H]3CCCC3(F)F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000579854041 835448566 /nfs/dbraw/zinc/44/85/66/835448566.db2.gz LCKUUYVVSKRDNU-IBGZPJMESA-N 1 0 383.442 3.714 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000584021301 835463033 /nfs/dbraw/zinc/46/30/33/835463033.db2.gz OETDIOZZQZYMIF-RTWAWAEBSA-N 1 0 381.451 3.878 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508814582 844060634 /nfs/dbraw/zinc/06/06/34/844060634.db2.gz UUSWFSGBIWTKIL-HXUWFJFHSA-N 1 0 395.551 3.664 20 30 GHEDRO COc1cccc(CC2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000612122932 835550826 /nfs/dbraw/zinc/55/08/26/835550826.db2.gz AHTNXMGUMIJKGS-QHCPKHFHSA-N 1 0 389.499 3.627 20 30 GHEDRO COc1cccc(CC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000612123009 835551222 /nfs/dbraw/zinc/55/12/22/835551222.db2.gz COALVHWQCPZNSI-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ccccc2Cl)c(-c2ccncc2)n1 ZINC000278619085 835555977 /nfs/dbraw/zinc/55/59/77/835555977.db2.gz JMGKXMLILJXGLE-UHFFFAOYSA-N 1 0 381.867 3.681 20 30 GHEDRO CN(CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278628332 835586444 /nfs/dbraw/zinc/58/64/44/835586444.db2.gz KGZKDAAKHYJTQV-UHFFFAOYSA-N 1 0 388.519 3.865 20 30 GHEDRO C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C(C)(C)C[NH+](C)C ZINC000120572252 835752058 /nfs/dbraw/zinc/75/20/58/835752058.db2.gz PXTIQEAMDYPNCQ-IVMQYODDSA-N 1 0 386.540 3.524 20 30 GHEDRO COc1cc(Cl)ccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278680737 835777097 /nfs/dbraw/zinc/77/70/97/835777097.db2.gz OZOKALLJHNWBMR-UHFFFAOYSA-N 1 0 381.867 3.811 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1Cl ZINC000612174701 835777457 /nfs/dbraw/zinc/77/74/57/835777457.db2.gz MGVIPCOEBFGBBU-GOSISDBHSA-N 1 0 387.842 3.833 20 30 GHEDRO CC1(C#N)CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000612177714 835795157 /nfs/dbraw/zinc/79/51/57/835795157.db2.gz UJSVATYYCBXBBY-QHAWAJNXSA-N 1 0 380.536 3.622 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@H+](C)C3(CCCCC3)C2)c1 ZINC000584239721 835799418 /nfs/dbraw/zinc/79/94/18/835799418.db2.gz KDJSQQGROOOGLC-OAQYLSRUSA-N 1 0 396.579 3.889 20 30 GHEDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C[C@@H](C)C#N)C2CC2)C1 ZINC000584270869 835819347 /nfs/dbraw/zinc/81/93/47/835819347.db2.gz CSJVHWYIAYZKIJ-KRWDZBQOSA-N 1 0 378.520 3.558 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000573167522 835827353 /nfs/dbraw/zinc/82/73/53/835827353.db2.gz LICOLTMSYKMVAI-HXUWFJFHSA-N 1 0 399.498 3.719 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000278719940 835873438 /nfs/dbraw/zinc/87/34/38/835873438.db2.gz MEQMLGGDTWCGAV-NRFANRHFSA-N 1 0 385.533 3.627 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000179632070 835902440 /nfs/dbraw/zinc/90/24/40/835902440.db2.gz BHDYBTTWJTYHPI-CYBMUJFWSA-N 1 0 387.505 3.852 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000255840567 835921380 /nfs/dbraw/zinc/92/13/80/835921380.db2.gz CHWHJHBDEWWTPI-SFHVURJKSA-N 1 0 379.504 3.829 20 30 GHEDRO O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000023253682 835932393 /nfs/dbraw/zinc/93/23/93/835932393.db2.gz UDAJAFPTMXPEDV-UHFFFAOYSA-N 1 0 399.564 3.992 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000548908232 835958065 /nfs/dbraw/zinc/95/80/65/835958065.db2.gz NXKHYHRSBWLWQD-KRWDZBQOSA-N 1 0 392.933 3.812 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000177152397 836060492 /nfs/dbraw/zinc/06/04/92/836060492.db2.gz WCEUAGVAIGMQSW-FQEVSTJZSA-N 1 0 392.455 3.774 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549691190 844125091 /nfs/dbraw/zinc/12/50/91/844125091.db2.gz YHCUXRCSNBCZPC-FQEVSTJZSA-N 1 0 395.551 3.518 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)C2CCOCC2)c1C#N ZINC000179862935 836097387 /nfs/dbraw/zinc/09/73/87/836097387.db2.gz WVJIDIBDVZDUEC-MRXNPFEDSA-N 1 0 386.540 3.825 20 30 GHEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1nc(-c2ccccc2)no1 ZINC000375895967 836133565 /nfs/dbraw/zinc/13/35/65/836133565.db2.gz RLGLWGUGPLCUPK-QGZVFWFLSA-N 1 0 387.487 3.970 20 30 GHEDRO Cc1cc(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1Cl ZINC000065930355 836253668 /nfs/dbraw/zinc/25/36/68/836253668.db2.gz NKMGALGNZRGJAB-QGZVFWFLSA-N 1 0 399.922 3.878 20 30 GHEDRO C[C@H]1CCc2c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)csc2C1 ZINC000065930701 836253741 /nfs/dbraw/zinc/25/37/41/836253741.db2.gz MSRAMAHKEOZPGN-INIZCTEOSA-N 1 0 381.545 3.949 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000065931267 836253792 /nfs/dbraw/zinc/25/37/92/836253792.db2.gz WNRLLOODUQQRQX-UHFFFAOYSA-N 1 0 387.936 3.894 20 30 GHEDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000613388567 836256596 /nfs/dbraw/zinc/25/65/96/836256596.db2.gz BHZWKUPMIPNIPW-HNAYVOBHSA-N 1 0 397.544 3.581 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179895789 836291939 /nfs/dbraw/zinc/29/19/39/836291939.db2.gz IZSKMGQZFQRXHY-HXUWFJFHSA-N 1 0 399.498 3.809 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000582492023 836294621 /nfs/dbraw/zinc/29/46/21/836294621.db2.gz GCDPPXWBMLRSCI-HXUWFJFHSA-N 1 0 377.488 3.850 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(O)c(C)c1 ZINC000728225589 836321637 /nfs/dbraw/zinc/32/16/37/836321637.db2.gz VGPFSKSYMNTXDW-UHFFFAOYSA-N 1 0 396.560 3.553 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccc(C#N)cc1 ZINC000548936116 836346775 /nfs/dbraw/zinc/34/67/75/836346775.db2.gz KFFLFDIEQRJHGY-FOIQADDNSA-N 1 0 376.485 3.571 20 30 GHEDRO CCCNC(=O)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000179922669 836373338 /nfs/dbraw/zinc/37/33/38/836373338.db2.gz XLXAGUGSESPGQB-UHFFFAOYSA-N 1 0 391.515 3.875 20 30 GHEDRO N#Cc1cccc(-c2noc([C@@H](c3ccc4ccccc4c3)N3CC[C@@H]([NH3+])C3)n2)c1 ZINC001211817897 844158334 /nfs/dbraw/zinc/15/83/34/844158334.db2.gz WXVDSKXXDFCOCN-FGZHOGPDSA-N 1 0 395.466 3.884 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000413827754 836451070 /nfs/dbraw/zinc/45/10/70/836451070.db2.gz SUCOVNNYOXTVGR-SXWKCWPCSA-N 1 0 399.579 3.705 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376002201 836478471 /nfs/dbraw/zinc/47/84/71/836478471.db2.gz BGBHUZHTORONOH-UHFFFAOYSA-N 1 0 399.457 3.825 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000179972146 836490722 /nfs/dbraw/zinc/49/07/22/836490722.db2.gz KAXRZLLJMBMKBX-OXQOHEQNSA-N 1 0 393.487 3.730 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001209432856 836536374 /nfs/dbraw/zinc/53/63/74/836536374.db2.gz LBXPPPZIJQIGCR-SFHVURJKSA-N 1 0 390.524 3.653 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000579887262 836545931 /nfs/dbraw/zinc/54/59/31/836545931.db2.gz VWTGQNMDTOCPGO-HZPDHXFCSA-N 1 0 394.475 3.915 20 30 GHEDRO Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)n1 ZINC000328653400 836549527 /nfs/dbraw/zinc/54/95/27/836549527.db2.gz LDMWXRNQNQSBRD-QFIPXVFZSA-N 1 0 395.551 3.506 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000579887260 836550601 /nfs/dbraw/zinc/55/06/01/836550601.db2.gz VWTGQNMDTOCPGO-CVEARBPZSA-N 1 0 394.475 3.915 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cccnc2)C1 ZINC001209439805 836559981 /nfs/dbraw/zinc/55/99/81/836559981.db2.gz ZWBXKGATBCZINL-FDFHNCONSA-N 1 0 385.552 3.675 20 30 GHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000748098993 836616071 /nfs/dbraw/zinc/61/60/71/836616071.db2.gz AGNYQBUNAQJOFA-QGZVFWFLSA-N 1 0 387.505 3.984 20 30 GHEDRO COC(=O)c1ccc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)c(C#N)n1 ZINC000576291696 844188954 /nfs/dbraw/zinc/18/89/54/844188954.db2.gz POLVAJCCPQHZIX-UHFFFAOYSA-N 1 0 398.894 3.717 20 30 GHEDRO COc1ccc(O[C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180257533 836882018 /nfs/dbraw/zinc/88/20/18/836882018.db2.gz FQHQBJOVUNPTJP-MRXNPFEDSA-N 1 0 376.460 3.524 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC(F)F ZINC000180045516 836903654 /nfs/dbraw/zinc/90/36/54/836903654.db2.gz UKIGVGLWDRBRBF-UHFFFAOYSA-N 1 0 398.413 3.859 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(-c2ccc(C#N)cc2)n1 ZINC000180271341 836917616 /nfs/dbraw/zinc/91/76/16/836917616.db2.gz OSOAXQBQJMHAPP-UXHICEINSA-N 1 0 376.460 3.640 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccccc1 ZINC000027482253 837053173 /nfs/dbraw/zinc/05/31/73/837053173.db2.gz LVMQOQUQOAYZCT-UHFFFAOYSA-O 1 0 385.987 3.971 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)ccc1OC ZINC000057969233 837055091 /nfs/dbraw/zinc/05/50/91/837055091.db2.gz VENIPOSJIBXVIJ-UHFFFAOYSA-N 1 0 380.488 3.832 20 30 GHEDRO C[C@@H](C[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000782785691 837105133 /nfs/dbraw/zinc/10/51/33/837105133.db2.gz ZWEPVTQTDAMEDX-HOTGVXAUSA-N 1 0 397.523 3.740 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(SCC#N)c3)cc2)CC1 ZINC000176014729 837112867 /nfs/dbraw/zinc/11/28/67/837112867.db2.gz TYCGUXQFVBYJBL-UHFFFAOYSA-N 1 0 394.544 3.692 20 30 GHEDRO Cc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c(OCC[NH+](C)C)c1 ZINC000180359098 837161000 /nfs/dbraw/zinc/16/10/00/837161000.db2.gz ZEMFGJGLQIAKTR-UHFFFAOYSA-N 1 0 389.503 3.820 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1c(F)cc(C#N)cc1F ZINC000151014197 844243707 /nfs/dbraw/zinc/24/37/07/844243707.db2.gz MSGVHJDXVKPQOP-HUUCEWRRSA-N 1 0 383.442 3.723 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1-n1nc(C[NH3+])c2ccccc21 ZINC001167698180 837304651 /nfs/dbraw/zinc/30/46/51/837304651.db2.gz PGSQFFDRADIGQW-UHFFFAOYSA-N 1 0 378.233 3.667 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023604135 837343584 /nfs/dbraw/zinc/34/35/84/837343584.db2.gz LGKUYGSOSCGUSE-UHFFFAOYSA-O 1 0 394.520 3.771 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(-n2ccnn2)cc1 ZINC000181232089 837876569 /nfs/dbraw/zinc/87/65/69/837876569.db2.gz LTKOXELMEWSOPV-CYBMUJFWSA-N 1 0 382.265 3.752 20 30 GHEDRO C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000261745673 844273018 /nfs/dbraw/zinc/27/30/18/844273018.db2.gz BSTFDESGJAALJY-UHFFFAOYSA-N 1 0 390.487 3.759 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655802816 837938307 /nfs/dbraw/zinc/93/83/07/837938307.db2.gz YBHMLPBAFOBHMG-KSSFIOAISA-N 1 0 376.298 3.624 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000177565554 837970185 /nfs/dbraw/zinc/97/01/85/837970185.db2.gz QEGAEOZLEJYQDM-LEWJYISDSA-N 1 0 377.488 3.740 20 30 GHEDRO CC(C)(C)Oc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181350077 837981790 /nfs/dbraw/zinc/98/17/90/837981790.db2.gz PIARBLMHRKWRTG-UHFFFAOYSA-N 1 0 378.520 3.885 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415806599 838123196 /nfs/dbraw/zinc/12/31/96/838123196.db2.gz PFKJARYAUINTIS-SFHVURJKSA-N 1 0 394.313 3.621 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000415807714 838124224 /nfs/dbraw/zinc/12/42/24/838124224.db2.gz RGFYFMYUSPWTMH-TZMCWYRMSA-N 1 0 382.302 3.605 20 30 GHEDRO COC[C@@]1(CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCC[NH2+]1 ZINC000415801242 838124767 /nfs/dbraw/zinc/12/47/67/838124767.db2.gz GEXJILAGGHNPGT-NRFANRHFSA-N 1 0 396.516 3.600 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415804297 838129486 /nfs/dbraw/zinc/12/94/86/838129486.db2.gz LINNFAFUXATCET-OLZOCXBDSA-N 1 0 382.302 3.605 20 30 GHEDRO Cc1nc(C)c(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000893114482 838139946 /nfs/dbraw/zinc/13/99/46/838139946.db2.gz AUFUEGDXOYTQQF-UHFFFAOYSA-N 1 0 383.517 3.652 20 30 GHEDRO C#CCCOc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2OCC)cc1 ZINC000237054082 844305247 /nfs/dbraw/zinc/30/52/47/844305247.db2.gz NCKPQKDLHQLOIE-UHFFFAOYSA-N 1 0 393.531 3.851 20 30 GHEDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000134072735 838336686 /nfs/dbraw/zinc/33/66/86/838336686.db2.gz YFLNPMWHRALVQY-FQEVSTJZSA-N 1 0 391.537 3.539 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000031565118 838380665 /nfs/dbraw/zinc/38/06/65/838380665.db2.gz STGJIXJAQLZWCD-HXUWFJFHSA-N 1 0 380.488 3.654 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000610321216 838418649 /nfs/dbraw/zinc/41/86/49/838418649.db2.gz LNOUUUBPIHNDPA-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189886677 838438811 /nfs/dbraw/zinc/43/88/11/838438811.db2.gz SALUMDSSXARXCI-VGOFRKELSA-N 1 0 385.471 3.590 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000472636078 838509955 /nfs/dbraw/zinc/50/99/55/838509955.db2.gz HIQMFDJRALASIX-QHCPKHFHSA-N 1 0 375.472 3.857 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(c4ccccc4)CCOCC3)CC2)cc1 ZINC000181487730 838523122 /nfs/dbraw/zinc/52/31/22/838523122.db2.gz LATPXGVGAOVOCT-UHFFFAOYSA-N 1 0 389.543 3.861 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000103500231 838559119 /nfs/dbraw/zinc/55/91/19/838559119.db2.gz BNXDFPTZQQEAED-IAGOWNOFSA-N 1 0 389.565 3.807 20 30 GHEDRO CCN1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549115584 838627441 /nfs/dbraw/zinc/62/74/41/838627441.db2.gz FPGRTLBQRJDZGV-TZIWHRDSSA-N 1 0 389.421 3.779 20 30 GHEDRO CN(C)C(=O)Sc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000376737553 838673851 /nfs/dbraw/zinc/67/38/51/838673851.db2.gz QECLBVHNDIIGEL-UHFFFAOYSA-N 1 0 380.517 3.913 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000580066549 838792007 /nfs/dbraw/zinc/79/20/07/838792007.db2.gz VOLALLVEPZFPBL-WIYYLYMNSA-N 1 0 381.520 3.603 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCSC3(CCC3)CC2)sc2c1CCC2 ZINC000579446441 838828029 /nfs/dbraw/zinc/82/80/29/838828029.db2.gz GQJKBYKSGSJABG-UHFFFAOYSA-N 1 0 375.563 3.799 20 30 GHEDRO N#CC[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000377073990 838977780 /nfs/dbraw/zinc/97/77/80/838977780.db2.gz QQOYFKVRYVWDAJ-QHCPKHFHSA-N 1 0 386.499 3.680 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1OC1CCCC1 ZINC000579499762 839101118 /nfs/dbraw/zinc/10/11/18/839101118.db2.gz DWWBPAQXVKDXLD-OAHLLOKOSA-N 1 0 391.475 3.782 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC)[NH+]2CCCC2)cc1 ZINC000050092270 839159399 /nfs/dbraw/zinc/15/93/99/839159399.db2.gz NETGATNNIBGVED-HXUWFJFHSA-N 1 0 394.475 3.534 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000415079075 839174309 /nfs/dbraw/zinc/17/43/09/839174309.db2.gz HENVNYGSVFOQMT-IBGZPJMESA-N 1 0 382.464 3.854 20 30 GHEDRO N#CC1(NC(=O)[C@H]2SCCc3sccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378484190 839205267 /nfs/dbraw/zinc/20/52/67/839205267.db2.gz UAQSXGYULOEWGY-IBGZPJMESA-N 1 0 397.569 3.753 20 30 GHEDRO CC[N@H+](Cc1cc(=O)n2ncc(C#N)c2[nH]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001167380710 839291162 /nfs/dbraw/zinc/29/11/62/839291162.db2.gz IEWHRLFISVMJHC-GFCCVEGCSA-N 1 0 389.381 3.908 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247259692 839319994 /nfs/dbraw/zinc/31/99/94/839319994.db2.gz DYLUBKIADMZEAG-RIFZZMRRSA-N 1 0 383.517 3.586 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610433575 839340438 /nfs/dbraw/zinc/34/04/38/839340438.db2.gz ULQPWTGYKUSGFO-REWPJTCUSA-N 1 0 390.531 3.528 20 30 GHEDRO C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000074918195 839427874 /nfs/dbraw/zinc/42/78/74/839427874.db2.gz HHETXBHQIFTXPQ-SFHVURJKSA-N 1 0 376.504 3.925 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C#N)cc3C)CCCC2)cc1OC ZINC000614403595 844439521 /nfs/dbraw/zinc/43/95/21/844439521.db2.gz MQGAZCKUYKMWHC-UHFFFAOYSA-N 1 0 393.487 3.925 20 30 GHEDRO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)c(C#N)c1C ZINC000155734978 839477687 /nfs/dbraw/zinc/47/76/87/839477687.db2.gz VEKNLMZISOPLIX-UHFFFAOYSA-N 1 0 381.476 3.635 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000580485016 839651157 /nfs/dbraw/zinc/65/11/57/839651157.db2.gz LGTFHNVVQOMMIR-UHFFFAOYSA-N 1 0 391.519 3.555 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1snc(C)c1C#N)[NH+]1CCCCC1 ZINC000579683650 839682885 /nfs/dbraw/zinc/68/28/85/839682885.db2.gz YFNWGLFBSIMLOR-QGZVFWFLSA-N 1 0 399.520 3.681 20 30 GHEDRO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158595 839728007 /nfs/dbraw/zinc/72/80/07/839728007.db2.gz ILHZNLHNIVGVSN-QGZVFWFLSA-N 1 0 385.471 3.514 20 30 GHEDRO [NH3+]CCNC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000415513693 839897299 /nfs/dbraw/zinc/89/72/99/839897299.db2.gz FDBRPRHRYYNFAY-SECBINFHSA-N 1 0 397.241 3.586 20 30 GHEDRO N#Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Oc1ccccc1 ZINC000415533606 839922476 /nfs/dbraw/zinc/92/24/76/839922476.db2.gz IHRVQZQQKVCJJJ-RYGJVYDSSA-N 1 0 376.460 3.942 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000278835473 840148085 /nfs/dbraw/zinc/14/80/85/840148085.db2.gz ALCANTWULNCNFY-VQTJNVASSA-N 1 0 379.508 3.638 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000247308594 840175896 /nfs/dbraw/zinc/17/58/96/840175896.db2.gz IDYYHBLRUNBLIK-FHWLQOOXSA-N 1 0 391.515 3.598 20 30 GHEDRO C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000566751291 840304613 /nfs/dbraw/zinc/30/46/13/840304613.db2.gz IBEIPRSHBKDWOF-IBGZPJMESA-N 1 0 378.520 3.825 20 30 GHEDRO Cc1cc(C(=O)NCCC[NH+]2CCCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728309175 840308994 /nfs/dbraw/zinc/30/89/94/840308994.db2.gz LVPOVHRAPKRBBA-UHFFFAOYSA-N 1 0 378.520 3.962 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2nc3c(cc2C#N)CCC3)CCOCC1)c1ccccc1 ZINC000500413412 840420204 /nfs/dbraw/zinc/42/02/04/840420204.db2.gz HHJXJHMYYJOITE-KRWDZBQOSA-N 1 0 376.504 3.754 20 30 GHEDRO O=C1CN([C@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)c2ccccc2N1 ZINC000759905848 840424958 /nfs/dbraw/zinc/42/49/58/840424958.db2.gz HHBSSKRGMRLKFO-SFHVURJKSA-N 1 0 399.416 3.590 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418540737 840440194 /nfs/dbraw/zinc/44/01/94/840440194.db2.gz GRXAHNAKZUVBOI-FGZHOGPDSA-N 1 0 379.504 3.539 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)Cc2ccccc2C1 ZINC000431983562 840484028 /nfs/dbraw/zinc/48/40/28/840484028.db2.gz ASLRRDFPILUFQL-QFIPXVFZSA-N 1 0 390.531 3.820 20 30 GHEDRO CC(C)(C)OC(=O)NC(C)(C)CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160719024 840556470 /nfs/dbraw/zinc/55/64/70/840556470.db2.gz YFAQZOBRJATKAT-UHFFFAOYSA-N 1 0 390.406 3.615 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511731046 840582935 /nfs/dbraw/zinc/58/29/35/840582935.db2.gz MPOQKOJVRVPGLW-AJSBUHFISA-N 1 0 378.516 3.752 20 30 GHEDRO CCc1nc(CN2CCC(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cs1 ZINC000111397456 840616501 /nfs/dbraw/zinc/61/65/01/840616501.db2.gz XURHMHZDCSVFSW-KRWDZBQOSA-N 1 0 398.576 3.998 20 30 GHEDRO Cc1ccc([C@@H](c2nc(-c3ccc(C#N)c(C)c3)no2)N2CCC([NH3+])CC2)cc1 ZINC001211828973 844557361 /nfs/dbraw/zinc/55/73/61/844557361.db2.gz GEBJVJLOTGYYDH-NRFANRHFSA-N 1 0 387.487 3.738 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000509764261 844558178 /nfs/dbraw/zinc/55/81/78/844558178.db2.gz XNABVWLOKSCLLC-PGRDOPGGSA-N 1 0 376.504 3.658 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1S(C)(=O)=O ZINC000417360025 840766300 /nfs/dbraw/zinc/76/63/00/840766300.db2.gz HFBCZDJQBFCDCY-KUHUBIRLSA-N 1 0 384.501 3.699 20 30 GHEDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417362312 840768851 /nfs/dbraw/zinc/76/88/51/840768851.db2.gz JPAXRKDTGKRABI-UGSOOPFHSA-N 1 0 386.293 3.538 20 30 GHEDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417371289 840787221 /nfs/dbraw/zinc/78/72/21/840787221.db2.gz UHZMCAYPUWVXEX-YWZLYKJASA-N 1 0 383.517 3.551 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000417391219 840807692 /nfs/dbraw/zinc/80/76/92/840807692.db2.gz RIBRQBANJOTBQL-MGPUTAFESA-N 1 0 393.487 3.960 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417398270 840817194 /nfs/dbraw/zinc/81/71/94/840817194.db2.gz YRQJMBOMCVUIIJ-XOBRGWDASA-N 1 0 378.432 3.851 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000660597270 840979304 /nfs/dbraw/zinc/97/93/04/840979304.db2.gz NWCSHVOTOXMCMN-GOSISDBHSA-N 1 0 392.341 3.946 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000584827094 840994794 /nfs/dbraw/zinc/99/47/94/840994794.db2.gz DIAPKJFVIGVXHB-JOCHJYFZSA-N 1 0 388.467 3.667 20 30 GHEDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)o1 ZINC000123021491 841133908 /nfs/dbraw/zinc/13/39/08/841133908.db2.gz VMLGVWBQUDFYLP-UHFFFAOYSA-N 1 0 394.475 3.980 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C2CCN(CC#N)CC2)CCC3)cc1 ZINC000610813819 844613799 /nfs/dbraw/zinc/61/37/99/844613799.db2.gz UGKVYRHWPMZAML-SFHVURJKSA-N 1 0 382.533 3.774 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000301420991 841180668 /nfs/dbraw/zinc/18/06/68/841180668.db2.gz IKOLKTDIHWYDBQ-UHFFFAOYSA-N 1 0 378.520 3.805 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000661001370 841321117 /nfs/dbraw/zinc/32/11/17/841321117.db2.gz MYZJRGGUNBZCDU-MXNKGDRCSA-N 1 0 381.520 3.866 20 30 GHEDRO O=C(c1ccc2c(c1)CCO2)C(C(=S)NC1CCCCC1)[n+]1ccccc1 ZINC000027327917 841383193 /nfs/dbraw/zinc/38/31/93/841383193.db2.gz AJOGZAVOBSWJDM-UHFFFAOYSA-O 1 0 381.521 3.770 20 30 GHEDRO C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685899 861196314 /nfs/dbraw/zinc/19/63/14/861196314.db2.gz GVOQAMCSXQQXOZ-PKJQDIMKSA-N 1 0 388.600 3.548 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1C#N ZINC000500085131 841399910 /nfs/dbraw/zinc/39/99/10/841399910.db2.gz GFTAWQMXLCUBRL-UHFFFAOYSA-N 1 0 396.516 3.745 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000661114854 841408776 /nfs/dbraw/zinc/40/87/76/841408776.db2.gz NIODYPKYMFVUGV-RDJZCZTQSA-N 1 0 376.497 3.766 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000593756818 861203383 /nfs/dbraw/zinc/20/33/83/861203383.db2.gz FGDCDCUPLTZRLN-UHFFFAOYSA-N 1 0 378.476 3.696 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000125373571 841475534 /nfs/dbraw/zinc/47/55/34/841475534.db2.gz SHFGTCHDNCUEOM-UONOGXRCSA-N 1 0 375.538 3.620 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000593419497 841500362 /nfs/dbraw/zinc/50/03/62/841500362.db2.gz WEAUYPZPDCDCHQ-UHFFFAOYSA-N 1 0 376.913 3.771 20 30 GHEDRO COC1(C(F)(F)F)CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000418101026 841505816 /nfs/dbraw/zinc/50/58/16/841505816.db2.gz QSQUGWQOITWFMZ-UHFFFAOYSA-N 1 0 378.398 3.502 20 30 GHEDRO C=CCc1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc(OC)c1O ZINC000500140975 841511244 /nfs/dbraw/zinc/51/12/44/841511244.db2.gz CQNVYIVMSRETJD-UHFFFAOYSA-N 1 0 383.488 3.968 20 30 GHEDRO CSc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000500225979 841678321 /nfs/dbraw/zinc/67/83/21/841678321.db2.gz OFHNJHCHXIERTA-HNNXBMFYSA-N 1 0 391.500 3.755 20 30 GHEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000046874611 841903944 /nfs/dbraw/zinc/90/39/44/841903944.db2.gz WGWWVJARYRFAFZ-UHFFFAOYSA-N 1 0 390.531 3.753 20 30 GHEDRO C#CCC1(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)CCCCC1 ZINC000276448856 841961949 /nfs/dbraw/zinc/96/19/49/841961949.db2.gz MNIUZHMEDPUOGU-UHFFFAOYSA-N 1 0 396.535 3.815 20 30 GHEDRO C[C@H]1CN(Cc2cccc(NC(=O)CSc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000121427969 841966584 /nfs/dbraw/zinc/96/65/84/841966584.db2.gz UTWQDQFBGJTZMY-IRXDYDNUSA-N 1 0 395.528 3.898 20 30 GHEDRO C[N@@H+](CC/C=C/c1ccc(Br)cc1)CCCc1[nH]nc(N)c1C#N ZINC000121443000 842070620 /nfs/dbraw/zinc/07/06/20/842070620.db2.gz LWLHKFYNICCSPL-GORDUTHDSA-N 1 0 388.313 3.594 20 30 GHEDRO C[C@@](CO)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000609483844 842116025 /nfs/dbraw/zinc/11/60/25/842116025.db2.gz LANUULZINFIEER-QFIPXVFZSA-N 1 0 397.544 3.715 20 30 GHEDRO CC(C)c1ccc(OC2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000603840902 861287234 /nfs/dbraw/zinc/28/72/34/861287234.db2.gz JYJQZGSAFGFNBB-NRFANRHFSA-N 1 0 394.515 3.965 20 30 GHEDRO Cc1sc2ncn(CCC(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)c(=O)c2c1C ZINC000328832916 842401449 /nfs/dbraw/zinc/40/14/49/842401449.db2.gz RQVZJTMBGXKJDE-INIZCTEOSA-N 1 0 390.553 3.542 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[NH+]2CCC1CC2 ZINC000613861395 842427905 /nfs/dbraw/zinc/42/79/05/842427905.db2.gz NCSDWJGLNNHUJS-UHFFFAOYSA-N 1 0 398.322 3.896 20 30 GHEDRO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000329348403 861311864 /nfs/dbraw/zinc/31/18/64/861311864.db2.gz SCRKKKWOIRBZBG-GHTZIAJQSA-N 1 0 383.536 3.905 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000093766220 842566540 /nfs/dbraw/zinc/56/65/40/842566540.db2.gz NLEIWLLUUHMUCL-IBGZPJMESA-N 1 0 392.425 3.599 20 30 GHEDRO C[C@H]1C[C@@H](C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000279179400 842680858 /nfs/dbraw/zinc/68/08/58/842680858.db2.gz IBBNQZYKYIEJJW-UWJYYQICSA-N 1 0 379.479 3.956 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)C2=O)cc1 ZINC000248741630 842702302 /nfs/dbraw/zinc/70/23/02/842702302.db2.gz MBRKODOCSJSQEE-OIBXWCBGSA-N 1 0 389.499 3.811 20 30 GHEDRO O=C(NCC#Cc1cccc(F)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000512168269 842717507 /nfs/dbraw/zinc/71/75/07/842717507.db2.gz UUBMURSAYSQBEA-UHFFFAOYSA-N 1 0 393.506 3.527 20 30 GHEDRO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000599572451 861347491 /nfs/dbraw/zinc/34/74/91/861347491.db2.gz BOQJBTPOYWEKGM-GDBMZVCRSA-N 1 0 381.314 3.895 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000512179426 842777134 /nfs/dbraw/zinc/77/71/34/842777134.db2.gz CLGDFPMRUNBDAS-HKBOAZHASA-N 1 0 385.552 3.568 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000572059059 842937662 /nfs/dbraw/zinc/93/76/62/842937662.db2.gz WRNCHPADNINERB-PXNSSMCTSA-N 1 0 377.488 3.849 20 30 GHEDRO CN1C(=O)C[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000329387239 861361577 /nfs/dbraw/zinc/36/15/77/861361577.db2.gz QVNSMZJAJAWIBN-HLIPFELVSA-N 1 0 377.916 3.833 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+](C)C ZINC000510551513 842950556 /nfs/dbraw/zinc/95/05/56/842950556.db2.gz UUSZXICEHKOJBS-LAUBAEHRSA-N 1 0 379.504 3.832 20 30 GHEDRO Cc1[nH]c2ccccc2c1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000024663895 843058719 /nfs/dbraw/zinc/05/87/19/843058719.db2.gz DIRKTFSHRDGYON-UHFFFAOYSA-N 1 0 386.499 3.625 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599598139 861384291 /nfs/dbraw/zinc/38/42/91/861384291.db2.gz QWRZNLIQPYXMBZ-APWZRJJASA-N 1 0 378.476 3.708 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1 ZINC000662372340 843173478 /nfs/dbraw/zinc/17/34/78/843173478.db2.gz RPCPGEHVLIJVQE-KRWDZBQOSA-N 1 0 378.476 3.625 20 30 GHEDRO CCC[C@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCOC1 ZINC000512260400 843250797 /nfs/dbraw/zinc/25/07/97/843250797.db2.gz LCIARJNDVVGXKC-QFIPXVFZSA-N 1 0 386.540 3.969 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c(OC)c1 ZINC000599601588 861398966 /nfs/dbraw/zinc/39/89/66/861398966.db2.gz VUUIXRFYOSQJRX-SFHVURJKSA-N 1 0 395.503 3.918 20 30 GHEDRO CCOCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCc2ccccc21 ZINC000599625407 861411740 /nfs/dbraw/zinc/41/17/40/861411740.db2.gz JSUYOWWESIMLCE-HXUWFJFHSA-N 1 0 381.476 3.733 20 30 GHEDRO CC1([NH3+])CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000662556711 843402813 /nfs/dbraw/zinc/40/28/13/843402813.db2.gz WGVPOKROQXWLDK-UHFFFAOYSA-N 1 0 386.311 3.929 20 30 GHEDRO C=CCN1C(=O)N(Cc2cccc(C[N@@H+](C)CC)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431009149 843405413 /nfs/dbraw/zinc/40/54/13/843405413.db2.gz WTKUZTYNFAXLFX-QFIPXVFZSA-N 1 0 391.515 3.700 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC[C@H]3Sc4ccccc4NC3=O)CCOCC2)cc1 ZINC000599629400 861418594 /nfs/dbraw/zinc/41/85/94/861418594.db2.gz FNYJWHBKOWOHEZ-HXUWFJFHSA-N 1 0 393.512 3.657 20 30 GHEDRO COC(=O)c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1Cl ZINC000599629957 861418604 /nfs/dbraw/zinc/41/86/04/861418604.db2.gz JYGCFLBPEZZSIR-UHFFFAOYSA-N 1 0 384.863 3.794 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000162934613 843469784 /nfs/dbraw/zinc/46/97/84/843469784.db2.gz DESKWNHDYSMERI-ROUUACIJSA-N 1 0 392.499 3.768 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418652024 843511705 /nfs/dbraw/zinc/51/17/05/843511705.db2.gz YWMGNCMUIHTGDN-UHFFFAOYSA-N 1 0 396.304 3.596 20 30 GHEDRO CC(C)[C@H](NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000599632580 861426018 /nfs/dbraw/zinc/42/60/18/861426018.db2.gz BJVBCGFHJIYCEP-QHCPKHFHSA-N 1 0 391.515 3.667 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000549667047 843664332 /nfs/dbraw/zinc/66/43/32/843664332.db2.gz KAHBFTSDEAFOAN-OAQYLSRUSA-N 1 0 390.535 3.846 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000247497391 843719870 /nfs/dbraw/zinc/71/98/70/843719870.db2.gz USWUWVVZSAIALL-HTAPYJJXSA-N 1 0 377.488 3.549 20 30 GHEDRO N#CCCn1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(-c2ccccc2)n1 ZINC000092218710 843744503 /nfs/dbraw/zinc/74/45/03/843744503.db2.gz LKFHGJADZKKGAF-JOCHJYFZSA-N 1 0 377.536 3.914 20 30 GHEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000512428790 843764261 /nfs/dbraw/zinc/76/42/61/843764261.db2.gz ZFCUBLBBGBJBGD-AEFFLSMTSA-N 1 0 377.916 3.602 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000512451390 843841291 /nfs/dbraw/zinc/84/12/91/843841291.db2.gz ZFGSTUVXXYEEQF-AWEZNQCLSA-N 1 0 387.867 3.702 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000432795579 843858465 /nfs/dbraw/zinc/85/84/65/843858465.db2.gz XARJVASUJFAVDU-MRXNPFEDSA-N 1 0 397.357 3.939 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000572632050 843904409 /nfs/dbraw/zinc/90/44/09/843904409.db2.gz QVGAFMSTMCEVRB-HKUYNNGSSA-N 1 0 388.920 3.911 20 30 GHEDRO C#CCOc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000731112123 861474089 /nfs/dbraw/zinc/47/40/89/861474089.db2.gz AXRPRCDFINVTRB-UHFFFAOYSA-N 1 0 377.488 3.657 20 30 GHEDRO Cc1cc(NC(=O)N(C)CC(C)(C)C#N)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000433281424 843953439 /nfs/dbraw/zinc/95/34/39/843953439.db2.gz JCFDLDXACMQXHH-IBGZPJMESA-N 1 0 394.523 3.652 20 30 GHEDRO Cc1cc(NC(=O)N(C)CC(C)(C)C#N)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000433281425 843953827 /nfs/dbraw/zinc/95/38/27/843953827.db2.gz JCFDLDXACMQXHH-LJQANCHMSA-N 1 0 394.523 3.652 20 30 GHEDRO C=CCN(CCC#N)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000433290253 843978234 /nfs/dbraw/zinc/97/82/34/843978234.db2.gz WOFQMPNJWBDCSQ-HXUWFJFHSA-N 1 0 392.507 3.572 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433299311 843986381 /nfs/dbraw/zinc/98/63/81/843986381.db2.gz BILSWXIRKKOTOC-LJQANCHMSA-N 1 0 385.458 3.628 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC[C@@H]21 ZINC000610814880 844648518 /nfs/dbraw/zinc/64/85/18/844648518.db2.gz GTUZBFQXTKDPOP-PXNSSMCTSA-N 1 0 391.475 3.694 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ncc(C#N)cc3C)ccc21 ZINC000555644722 861485090 /nfs/dbraw/zinc/48/50/90/861485090.db2.gz MBWILTIXRNJAFG-UHFFFAOYSA-N 1 0 375.476 3.811 20 30 GHEDRO N#Cc1ccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(F)c1 ZINC000610876876 844724056 /nfs/dbraw/zinc/72/40/56/844724056.db2.gz DJISRVILHQAGDU-UHFFFAOYSA-N 1 0 396.466 3.884 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ncc(C#N)cc1Cl ZINC000610891436 844766482 /nfs/dbraw/zinc/76/64/82/844766482.db2.gz UECSJWBAKDCYOA-UHFFFAOYSA-N 1 0 386.908 3.716 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246267909 844772745 /nfs/dbraw/zinc/77/27/45/844772745.db2.gz QCLFSYKIVCJNPU-IXDOHACOSA-N 1 0 390.553 3.702 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508807306 844787980 /nfs/dbraw/zinc/78/79/80/844787980.db2.gz BQMSSKZAPXVYEY-ROUUACIJSA-N 1 0 399.514 3.808 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cc1OC ZINC000458280924 844788273 /nfs/dbraw/zinc/78/82/73/844788273.db2.gz APGHTGXLZBORIB-UHFFFAOYSA-N 1 0 388.439 3.592 20 30 GHEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000731211162 861505618 /nfs/dbraw/zinc/50/56/18/861505618.db2.gz AOBVIJNYSQPKJY-OALUTQOASA-N 1 0 377.271 3.986 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1cccs1 ZINC000610933288 844867660 /nfs/dbraw/zinc/86/76/60/844867660.db2.gz DPXLPEGDAQLRAJ-XLIONFOSSA-N 1 0 379.529 3.851 20 30 GHEDRO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)cn1 ZINC000599701222 861508408 /nfs/dbraw/zinc/50/84/08/861508408.db2.gz SBGGPTLILSSJAP-NRFANRHFSA-N 1 0 398.894 3.731 20 30 GHEDRO N#Cc1cccc(OCC[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 ZINC000513210238 845054852 /nfs/dbraw/zinc/05/48/52/845054852.db2.gz OPALXAPEQVPRAY-HXUWFJFHSA-N 1 0 390.405 3.947 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@H](O)CO[C@@H]1CCCc3ccccc31)C2 ZINC000599686821 861528560 /nfs/dbraw/zinc/52/85/60/861528560.db2.gz ZNKUGQPLGOCFQH-XUZZJYLKSA-N 1 0 376.500 3.566 20 30 GHEDRO C=CCOc1ccc(O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000663985480 845225162 /nfs/dbraw/zinc/22/51/62/845225162.db2.gz VHGHMSKRYXWKOT-IBGZPJMESA-N 1 0 394.515 3.800 20 30 GHEDRO C=CCOc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000663984448 845237646 /nfs/dbraw/zinc/23/76/46/845237646.db2.gz OIIMCKTVKDLPEZ-UHFFFAOYSA-N 1 0 394.515 3.719 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000500881644 845280129 /nfs/dbraw/zinc/28/01/29/845280129.db2.gz YOKQWGPEUHVKNC-IBGZPJMESA-N 1 0 393.535 3.542 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000329506426 861557949 /nfs/dbraw/zinc/55/79/49/861557949.db2.gz HPKVNOLOLREDMF-LMNJBCLMSA-N 1 0 381.524 3.524 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCOc4cc(O)ccc4C3)CC2)CC1 ZINC000329511240 861569631 /nfs/dbraw/zinc/56/96/31/861569631.db2.gz BYUDYRPUUWGILI-UHFFFAOYSA-N 1 0 387.524 3.544 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000119604225 845472166 /nfs/dbraw/zinc/47/21/66/845472166.db2.gz BMWNWXNGDQQMEN-ZIAGYGMSSA-N 1 0 381.314 3.697 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000600315900 861584993 /nfs/dbraw/zinc/58/49/93/861584993.db2.gz WXPOPMDQFRVQCE-HXUWFJFHSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC000472105655 845890374 /nfs/dbraw/zinc/89/03/74/845890374.db2.gz HOBIXSDDKRZKFU-UHFFFAOYSA-N 1 0 393.350 3.973 20 30 GHEDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000051407005 846196050 /nfs/dbraw/zinc/19/60/50/846196050.db2.gz NSROBGBWCWDSBP-GOSISDBHSA-N 1 0 379.287 3.931 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429590694 846209842 /nfs/dbraw/zinc/20/98/42/846209842.db2.gz HXRADJASYMPODN-SFHVURJKSA-N 1 0 393.535 3.704 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000421683702 846463488 /nfs/dbraw/zinc/46/34/88/846463488.db2.gz GGSFNSUJYISBFD-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)NC1(C#N)CCC1 ZINC000582174585 846588358 /nfs/dbraw/zinc/58/83/58/846588358.db2.gz KLEGQSSVBFGLBP-MLGOLLRUSA-N 1 0 390.325 3.613 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cccc(C#N)c1F ZINC000501066314 846597385 /nfs/dbraw/zinc/59/73/85/846597385.db2.gz DHFKCIRGIKBJLC-UHFFFAOYSA-N 1 0 378.245 3.802 20 30 GHEDRO COc1ccc(CNCc2ccn(-c3ccccc3)n2)cc1OCCCC#N ZINC000120006373 846703716 /nfs/dbraw/zinc/70/37/16/846703716.db2.gz CDKDPMPAEBLLIG-UHFFFAOYSA-N 1 0 376.460 3.853 20 30 GHEDRO CC(C)C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[NH+](C)C ZINC000513709617 846713040 /nfs/dbraw/zinc/71/30/40/846713040.db2.gz JCVWAYJLULPVRT-OAQYLSRUSA-N 1 0 379.504 3.843 20 30 GHEDRO COc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599815327 861712307 /nfs/dbraw/zinc/71/23/07/861712307.db2.gz XFISBUHONFKFLG-NVXWUHKLSA-N 1 0 396.466 3.738 20 30 GHEDRO COc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(F)cc1C#N ZINC000599818142 861720220 /nfs/dbraw/zinc/72/02/20/861720220.db2.gz VBBNASLZDVLMEO-INIZCTEOSA-N 1 0 388.487 3.826 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000501332369 846852305 /nfs/dbraw/zinc/85/23/05/846852305.db2.gz YUGBBFXALHTVSH-LJQANCHMSA-N 1 0 395.469 3.867 20 30 GHEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)cc1C#N ZINC000599820152 861726797 /nfs/dbraw/zinc/72/67/97/861726797.db2.gz VJTSFZOBMRXINP-INIZCTEOSA-N 1 0 396.466 3.834 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000555735273 861728514 /nfs/dbraw/zinc/72/85/14/861728514.db2.gz RNVPWVISKXZSNH-CQSZACIVSA-N 1 0 395.425 3.716 20 30 GHEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000271733538 846906101 /nfs/dbraw/zinc/90/61/01/846906101.db2.gz NTUMJYVURAAYMV-MWTRTKDXSA-N 1 0 377.488 3.821 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1CCC#N ZINC000272015754 846970638 /nfs/dbraw/zinc/97/06/38/846970638.db2.gz BLBYIEZXGRAYSD-PXNSSMCTSA-N 1 0 394.523 3.622 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)nn1CCC#N ZINC000272111002 846993888 /nfs/dbraw/zinc/99/38/88/846993888.db2.gz QHDPCZYRQKVCKD-KRWDZBQOSA-N 1 0 394.523 3.801 20 30 GHEDRO Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc(C)c1C#N ZINC001268966849 847096956 /nfs/dbraw/zinc/09/69/56/847096956.db2.gz DMUDCRNUSILUME-XZOQPEGZSA-N 1 0 396.579 3.584 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)cc1 ZINC000431403073 847163279 /nfs/dbraw/zinc/16/32/79/847163279.db2.gz LFBSHNCERCPPAW-QUCCMNQESA-N 1 0 386.540 3.625 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000272928312 847209470 /nfs/dbraw/zinc/20/94/70/847209470.db2.gz JSHLBDDPDXYUOD-KWMCUTETSA-N 1 0 397.544 3.638 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000562049207 847245720 /nfs/dbraw/zinc/24/57/20/847245720.db2.gz BNXXKZRMTBVTJR-DNVCBOLYSA-N 1 0 394.906 3.676 20 30 GHEDRO C[NH+]=C(NCC1(c2ccc(Br)cc2)CCC1)N(C)Cc1ccon1 ZINC000261827912 847332481 /nfs/dbraw/zinc/33/24/81/847332481.db2.gz VDZKQRGVIMTNMC-UHFFFAOYSA-N 1 0 391.313 3.566 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000501979158 847362638 /nfs/dbraw/zinc/36/26/38/847362638.db2.gz RZQIHWXQIXYIBG-KBXCAEBGSA-N 1 0 390.409 3.718 20 30 GHEDRO COc1cccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000604102568 861787006 /nfs/dbraw/zinc/78/70/06/861787006.db2.gz JNXRODVALAYFFB-SFHVURJKSA-N 1 0 392.503 3.545 20 30 GHEDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000421032519 847632611 /nfs/dbraw/zinc/63/26/11/847632611.db2.gz WVPCBFWDRAXWPE-LPHOPBHVSA-N 1 0 394.519 3.758 20 30 GHEDRO COc1cc(C#N)ccc1C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000502262107 847670687 /nfs/dbraw/zinc/67/06/87/847670687.db2.gz BOHDFQQGILHQDZ-UHFFFAOYSA-N 1 0 379.382 3.928 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000522496202 861832751 /nfs/dbraw/zinc/83/27/51/861832751.db2.gz FPDLOPFPHARZMF-ZWKOTPCHSA-N 1 0 377.488 3.667 20 30 GHEDRO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1)C1CC1 ZINC000503658356 847865931 /nfs/dbraw/zinc/86/59/31/847865931.db2.gz ICSQADIVVIOPLE-LJQANCHMSA-N 1 0 379.426 3.726 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000131962247 861849471 /nfs/dbraw/zinc/84/94/71/861849471.db2.gz FWVZRFZKTYTBJN-HXUWFJFHSA-N 1 0 378.476 3.782 20 30 GHEDRO Cc1noc(C[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2ccccc2)n1 ZINC000277778970 847979148 /nfs/dbraw/zinc/97/91/48/847979148.db2.gz YXHQOZLUDCGYEU-NRFANRHFSA-N 1 0 375.476 3.802 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000555793618 861867981 /nfs/dbraw/zinc/86/79/81/861867981.db2.gz FLRDXXTXCCCOBW-SFHVURJKSA-N 1 0 389.565 3.964 20 30 GHEDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCO1 ZINC000555793333 861868420 /nfs/dbraw/zinc/86/84/20/861868420.db2.gz VJYCGVCXLLCMFV-QGZVFWFLSA-N 1 0 375.538 3.574 20 30 GHEDRO COc1cc2cccnc2c(N(c2nnc(C)c(C)c2C#N)[C@H](C)CCC[NH3+])c1 ZINC001167611713 848302798 /nfs/dbraw/zinc/30/27/98/848302798.db2.gz KREAPUUMYMNWGZ-CQSZACIVSA-N 1 0 390.491 3.787 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ncc(C#N)cc3Cl)C2)s1 ZINC000582790854 848382184 /nfs/dbraw/zinc/38/21/84/848382184.db2.gz IKNAJGKRYSBLTB-AWEZNQCLSA-N 1 0 388.924 3.571 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C1 ZINC000048828098 848665156 /nfs/dbraw/zinc/66/51/56/848665156.db2.gz SJILJOXBZCRINM-GOSISDBHSA-N 1 0 376.504 3.790 20 30 GHEDRO C=C[C@@](C)(O)CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000431523564 849093198 /nfs/dbraw/zinc/09/31/98/849093198.db2.gz XSGINANTHSALIH-XMMPIXPASA-N 1 0 378.516 3.893 20 30 GHEDRO CC#CCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000458393238 849125761 /nfs/dbraw/zinc/12/57/61/849125761.db2.gz JLCIEWRPSZWCNH-FUHWJXTLSA-N 1 0 381.442 3.753 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000139582994 849128151 /nfs/dbraw/zinc/12/81/51/849128151.db2.gz DSUPEFNQUHBZTC-UHFFFAOYSA-N 1 0 395.572 3.764 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(Br)c(O)c1)C(C)C ZINC000481661856 861984244 /nfs/dbraw/zinc/98/42/44/861984244.db2.gz WWTFTQXYNPPLPD-MRXNPFEDSA-N 1 0 381.314 3.583 20 30 GHEDRO C[C@H](NC(=O)CNC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C)c1ccc(F)cc1 ZINC000329673187 862005765 /nfs/dbraw/zinc/00/57/65/862005765.db2.gz NXSLIFMLDOMYTJ-HOTGVXAUSA-N 1 0 391.487 3.691 20 30 GHEDRO CSc1nc(CN2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141929651 862005917 /nfs/dbraw/zinc/00/59/17/862005917.db2.gz ZUJNQXJVRJRKOM-LJQANCHMSA-N 1 0 376.526 3.554 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CC[C@H](C[N@@H+](C)CC)C3)c(=S)o2)cc1 ZINC000161682106 849767895 /nfs/dbraw/zinc/76/78/95/849767895.db2.gz BTZVXYCVBLVDEN-MRXNPFEDSA-N 1 0 388.537 3.668 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cc1 ZINC000434869887 849856483 /nfs/dbraw/zinc/85/64/83/849856483.db2.gz ONBWZAFULOEQKI-XHDPSFHLSA-N 1 0 390.306 3.838 20 30 GHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000504092330 849894174 /nfs/dbraw/zinc/89/41/74/849894174.db2.gz GKOWJVRMUNVTPL-QHCPKHFHSA-N 1 0 399.535 3.915 20 30 GHEDRO COc1cc(C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)ccc1C#N ZINC000908415920 850089384 /nfs/dbraw/zinc/08/93/84/850089384.db2.gz OZSYWNBRVNORHL-UHFFFAOYSA-N 1 0 376.416 3.556 20 30 GHEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000486782506 850090738 /nfs/dbraw/zinc/09/07/38/850090738.db2.gz ONGCKXHRBHFVOY-UZLBHIALSA-N 1 0 388.556 3.852 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1CCC(C)C ZINC000486790013 850096936 /nfs/dbraw/zinc/09/69/36/850096936.db2.gz VVWPFUHPVVLAMP-IBGZPJMESA-N 1 0 388.556 3.852 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000424107113 850220557 /nfs/dbraw/zinc/22/05/57/850220557.db2.gz UFPLSLBEUWMOSX-ROUUACIJSA-N 1 0 386.293 3.676 20 30 GHEDRO CC1(C)CN([C@H](C[NH2+]Cc2nc(C#N)cs2)c2ccc(Cl)cc2)CCO1 ZINC000518842926 850234133 /nfs/dbraw/zinc/23/41/33/850234133.db2.gz MARPNFANHOEOES-QGZVFWFLSA-N 1 0 390.940 3.610 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000424132822 850260095 /nfs/dbraw/zinc/26/00/95/850260095.db2.gz YHZMCQSMEUIGJV-ZCNNSNEGSA-N 1 0 395.576 3.600 20 30 GHEDRO C=CCn1c(C2CCOCC2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908676811 850280320 /nfs/dbraw/zinc/28/03/20/850280320.db2.gz DLTUOPYNLROFCM-UHFFFAOYSA-N 1 0 387.572 3.593 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000505675358 850407946 /nfs/dbraw/zinc/40/79/46/850407946.db2.gz VHSOXTRQROYNIB-IEBWSBKVSA-N 1 0 383.536 3.513 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000140452803 850428314 /nfs/dbraw/zinc/42/83/14/850428314.db2.gz GNRSZYDTHTZQNP-MRXNPFEDSA-N 1 0 397.906 3.877 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC(=O)Nc2cc(OC)cc(OC)c2)cc1Cl ZINC000425357782 850436121 /nfs/dbraw/zinc/43/61/21/850436121.db2.gz SLOHUDBREQIHOG-UHFFFAOYSA-N 1 0 390.867 3.650 20 30 GHEDRO Cc1cc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000435415411 850477890 /nfs/dbraw/zinc/47/78/90/850477890.db2.gz BLWLMBBHTOZMNA-GOSISDBHSA-N 1 0 394.494 3.984 20 30 GHEDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2sccc2C#N)C2CC2)c1 ZINC000027603870 850487389 /nfs/dbraw/zinc/48/73/89/850487389.db2.gz IVSLBOZWVOEIBP-UHFFFAOYSA-N 1 0 385.489 3.630 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000519020553 850525015 /nfs/dbraw/zinc/52/50/15/850525015.db2.gz LSZZQLDTLRVHDK-NRFANRHFSA-N 1 0 383.467 3.666 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000519085157 850610944 /nfs/dbraw/zinc/61/09/44/850610944.db2.gz NWAZBJKRQRJWEJ-UHFFFAOYSA-N 1 0 381.476 3.726 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1C#N ZINC000435535974 850622858 /nfs/dbraw/zinc/62/28/58/850622858.db2.gz INSBNYXJUXTOHZ-IBGZPJMESA-N 1 0 384.455 3.909 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)[C@H](C(F)(F)F)C1 ZINC000519191483 850721533 /nfs/dbraw/zinc/72/15/33/850721533.db2.gz ZDEKOWOIQGJKOH-RBSFLKMASA-N 1 0 387.833 3.930 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000435729031 850791089 /nfs/dbraw/zinc/79/10/89/850791089.db2.gz AVJBBXDWFMJWIS-JXFKEZNVSA-N 1 0 393.369 3.984 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000508795171 850810210 /nfs/dbraw/zinc/81/02/10/850810210.db2.gz MTJJSPKCZRFAQD-UHFFFAOYSA-N 1 0 379.552 3.765 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000435736465 850823549 /nfs/dbraw/zinc/82/35/49/850823549.db2.gz ANUKEPCTTHMMBL-WMLDXEAASA-N 1 0 384.314 3.927 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000623786338 862177221 /nfs/dbraw/zinc/17/72/21/862177221.db2.gz JHFWHPVASRURJX-NRFANRHFSA-N 1 0 385.552 3.980 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(F)c(C#N)c3)cc2)C[C@H](C)O1 ZINC000481746987 862177547 /nfs/dbraw/zinc/17/75/47/862177547.db2.gz WCJVMGZJHRQJSE-HOTGVXAUSA-N 1 0 396.466 3.628 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000604445979 862186098 /nfs/dbraw/zinc/18/60/98/862186098.db2.gz SKHXMEWNDGBLBZ-MXKPZRPRSA-N 1 0 383.536 3.825 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000604427656 862201029 /nfs/dbraw/zinc/20/10/29/862201029.db2.gz WMUPZGXSOBIOOE-QHCPKHFHSA-N 1 0 394.515 3.543 20 30 GHEDRO N#Cc1ncc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1Cl ZINC000515493844 851105296 /nfs/dbraw/zinc/10/52/96/851105296.db2.gz FYRLCWAPBLIPDU-NRFANRHFSA-N 1 0 395.894 3.737 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000415011365 851120941 /nfs/dbraw/zinc/12/09/41/851120941.db2.gz HQJJCCCTWXIOSW-UHFFFAOYSA-N 1 0 384.524 3.674 20 30 GHEDRO C[C@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000329716438 862209670 /nfs/dbraw/zinc/20/96/70/862209670.db2.gz WLCLZFNCLZHFFP-ZDUSSCGKSA-N 1 0 395.425 3.787 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329716267 862210551 /nfs/dbraw/zinc/21/05/51/862210551.db2.gz WEVJVYNIVPLADS-UHFFFAOYSA-N 1 0 381.524 3.545 20 30 GHEDRO C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000262016613 851173980 /nfs/dbraw/zinc/17/39/80/851173980.db2.gz XWYJJTIKOBPUDM-KRWDZBQOSA-N 1 0 390.535 3.898 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+](C2CCC2)C2CCC2)c1C#N ZINC000429167115 862215521 /nfs/dbraw/zinc/21/55/21/862215521.db2.gz WWMFNCXEYHFUGM-UHFFFAOYSA-N 1 0 380.492 3.963 20 30 GHEDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000030135760 862215903 /nfs/dbraw/zinc/21/59/03/862215903.db2.gz UMIOIMAQWRHZSV-UHFFFAOYSA-N 1 0 397.544 3.519 20 30 GHEDRO CC1CCN(c2ccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cn2)CC1 ZINC000514100248 851236330 /nfs/dbraw/zinc/23/63/30/851236330.db2.gz URJWFUGATIADIW-UHFFFAOYSA-N 1 0 389.547 3.948 20 30 GHEDRO [NH2+]=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000262020157 851242520 /nfs/dbraw/zinc/24/25/20/851242520.db2.gz XQOPMOQWVBBJKW-DYESRHJHSA-N 1 0 381.476 3.742 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000425110347 851343875 /nfs/dbraw/zinc/34/38/75/851343875.db2.gz NFPNCQPRQOQHJX-IAOVAPTHSA-N 1 0 381.442 3.986 20 30 GHEDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000515703798 851358583 /nfs/dbraw/zinc/35/85/83/851358583.db2.gz AVXWYYCLGOWTNP-HDICACEKSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccc2)c1)C(=O)NC1(C#N)CCC1 ZINC000434633478 851368520 /nfs/dbraw/zinc/36/85/20/851368520.db2.gz IFYVLYWYQQJHGW-QZTJIDSGSA-N 1 0 377.488 3.867 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000488325063 851410437 /nfs/dbraw/zinc/41/04/37/851410437.db2.gz OTXJLOFWNDEYER-AZUAARDMSA-N 1 0 390.531 3.655 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521415 862242676 /nfs/dbraw/zinc/24/26/76/862242676.db2.gz IUIDLZIAGCMKOL-GIVPXCGWSA-N 1 0 383.536 3.817 20 30 GHEDRO CCN(CC)C(=O)c1ccc(NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425537177 851564987 /nfs/dbraw/zinc/56/49/87/851564987.db2.gz PTWIIYXLAWRGRW-KRWDZBQOSA-N 1 0 392.503 3.672 20 30 GHEDRO OCC1([C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C2CCOCC2)CCC1 ZINC000425545074 851610847 /nfs/dbraw/zinc/61/08/47/851610847.db2.gz QCCSXTCOCOTPDD-LJQANCHMSA-N 1 0 381.438 3.604 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000111303518 851615697 /nfs/dbraw/zinc/61/56/97/851615697.db2.gz TYZNGMLOKQFWCZ-INIZCTEOSA-N 1 0 375.538 3.504 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C[C@@H]1CCCO1 ZINC000488639338 851668934 /nfs/dbraw/zinc/66/89/34/851668934.db2.gz FIHFSOBLBHKDNN-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000517399925 851922288 /nfs/dbraw/zinc/92/22/88/851922288.db2.gz YXKKIXYFLUAEKK-IRXDYDNUSA-N 1 0 381.476 3.723 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000438000811 851937201 /nfs/dbraw/zinc/93/72/01/851937201.db2.gz QEDAJCPHFQAHIQ-NRSPTQNISA-N 1 0 385.552 3.930 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OC(F)F)c(F)c1 ZINC000550209590 851939314 /nfs/dbraw/zinc/93/93/14/851939314.db2.gz QVNSFRZTZAPJAW-UHFFFAOYSA-N 1 0 391.393 3.503 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cnn1-c1cccc(F)c1 ZINC000329764057 862303737 /nfs/dbraw/zinc/30/37/37/862303737.db2.gz VHXOURCSSWMSJL-IEBWSBKVSA-N 1 0 385.487 3.917 20 30 GHEDRO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000505834148 851982280 /nfs/dbraw/zinc/98/22/80/851982280.db2.gz RPPBJMDMELFLND-HXUWFJFHSA-N 1 0 383.536 3.700 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000438083452 852023127 /nfs/dbraw/zinc/02/31/27/852023127.db2.gz WJIWRCLWTWIJKJ-UHFFFAOYSA-N 1 0 376.504 3.867 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000515975372 852031813 /nfs/dbraw/zinc/03/18/13/852031813.db2.gz PMSHODPRISNLSG-RXVVDRJESA-N 1 0 381.476 3.508 20 30 GHEDRO C=CC[N@H+](Cc1nc2ccccc2nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528347 852076593 /nfs/dbraw/zinc/07/65/93/852076593.db2.gz VFYHLMJGZRZZFO-QGZVFWFLSA-N 1 0 385.475 3.663 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516101172 852141281 /nfs/dbraw/zinc/14/12/81/852141281.db2.gz HPDAEXBHRCCOPR-QFIPXVFZSA-N 1 0 397.526 3.503 20 30 GHEDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000157695010 862325721 /nfs/dbraw/zinc/32/57/21/862325721.db2.gz QPTGXDQYEHLCME-UHFFFAOYSA-N 1 0 384.882 3.859 20 30 GHEDRO Cc1nc(C)c(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000329803649 862332114 /nfs/dbraw/zinc/33/21/14/862332114.db2.gz LKRBXXYDKWTQFV-WMLDXEAASA-N 1 0 378.567 3.908 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O)c1ccc(C#N)cc1 ZINC000517675254 852229043 /nfs/dbraw/zinc/22/90/43/852229043.db2.gz IMHMPNBCPKGFFC-UFYCRDLUSA-N 1 0 399.535 3.566 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000517706708 852298275 /nfs/dbraw/zinc/29/82/75/852298275.db2.gz GCAJHXBFNKHHJE-PXNSSMCTSA-N 1 0 385.533 3.602 20 30 GHEDRO CC(C)(C)[NH+]=C(NCCc1ccccc1)NCc1ccc(N2CCCC2)nc1 ZINC000912506012 852312119 /nfs/dbraw/zinc/31/21/19/852312119.db2.gz FKHITLHUQSSPIN-UHFFFAOYSA-N 1 0 379.552 3.758 20 30 GHEDRO CC(C)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000506219669 852350903 /nfs/dbraw/zinc/35/09/03/852350903.db2.gz ZBIQYTWBLNEHET-INIZCTEOSA-N 1 0 389.565 3.964 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000438475056 852471058 /nfs/dbraw/zinc/47/10/58/852471058.db2.gz AFKFAILYHOXLSP-UHFFFAOYSA-N 1 0 387.281 3.591 20 30 GHEDRO COc1ccc(CN2CC[NH+](CCc3cccs3)CC2)cc1OCCCC#N ZINC000507065266 852534607 /nfs/dbraw/zinc/53/46/07/852534607.db2.gz QVVPWXJAAHNFGC-UHFFFAOYSA-N 1 0 399.560 3.800 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000517893395 852585325 /nfs/dbraw/zinc/58/53/25/852585325.db2.gz JWEICWDLCDQCGE-HXUWFJFHSA-N 1 0 378.476 3.547 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000518014004 852732542 /nfs/dbraw/zinc/73/25/42/852732542.db2.gz JANHFEPDOBMAIK-KRWDZBQOSA-N 1 0 387.405 3.715 20 30 GHEDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nnn1CC1CCCC1 ZINC000329873385 862389239 /nfs/dbraw/zinc/38/92/39/862389239.db2.gz DTVDBJLYRCHHGR-UHFFFAOYSA-N 1 0 395.551 3.918 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1)CC(F)(F)F ZINC000437844890 852860544 /nfs/dbraw/zinc/86/05/44/852860544.db2.gz IZYSFODILKDALW-AWEZNQCLSA-N 1 0 391.384 3.866 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c(Cl)c1 ZINC000426164410 852894105 /nfs/dbraw/zinc/89/41/05/852894105.db2.gz VPTLSHUFGAYMED-UHFFFAOYSA-N 1 0 390.915 3.616 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1Cl ZINC000516707778 852911808 /nfs/dbraw/zinc/91/18/08/852911808.db2.gz SSSXBKWUZSZOHA-OAHLLOKOSA-N 1 0 376.888 3.733 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCCCC[NH+]2CCC(C)CC2)c1C#N ZINC000516761037 852969611 /nfs/dbraw/zinc/96/96/11/852969611.db2.gz HGXZEDCAQPABPH-UHFFFAOYSA-N 1 0 386.565 3.794 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)c1 ZINC000506022830 852981236 /nfs/dbraw/zinc/98/12/36/852981236.db2.gz XNKVKCFXFYVCDL-NRFANRHFSA-N 1 0 377.463 3.682 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000516869701 853097861 /nfs/dbraw/zinc/09/78/61/853097861.db2.gz NCKQGCCDXDBSEH-INIZCTEOSA-N 1 0 381.476 3.533 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427466756 853144990 /nfs/dbraw/zinc/14/49/90/853144990.db2.gz XAFTVUPMFOTLRL-HNNXBMFYSA-N 1 0 391.368 3.720 20 30 GHEDRO CC(C)[NH2+]CCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000516916702 853153859 /nfs/dbraw/zinc/15/38/59/853153859.db2.gz KUSPFSLBXBOLBT-UHFFFAOYSA-N 1 0 382.483 3.797 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(OC)c1 ZINC000437529561 853230844 /nfs/dbraw/zinc/23/08/44/853230844.db2.gz YJYIDCGFMFARTH-LQWHRVPQSA-N 1 0 377.550 3.523 20 30 GHEDRO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000437535608 853238165 /nfs/dbraw/zinc/23/81/65/853238165.db2.gz LXQLLGAUAVARPT-MSOLQXFVSA-N 1 0 396.478 3.533 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000437550426 853248999 /nfs/dbraw/zinc/24/89/99/853248999.db2.gz XQUVWGLSSQVLBL-ZDFPQIBNSA-N 1 0 385.552 3.568 20 30 GHEDRO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000729477428 853268260 /nfs/dbraw/zinc/26/82/60/853268260.db2.gz NHEXWVFAWXWLFT-LJQANCHMSA-N 1 0 379.504 3.813 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000437641319 853353380 /nfs/dbraw/zinc/35/33/80/853353380.db2.gz PNMFOVMJVUNNGY-BDTNDASRSA-N 1 0 385.552 3.740 20 30 GHEDRO C[C@H](c1ccccc1Cl)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000029690737 853361645 /nfs/dbraw/zinc/36/16/45/853361645.db2.gz MLLSEKLDBWKYPH-QGZVFWFLSA-N 1 0 396.922 3.919 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000437702816 853438561 /nfs/dbraw/zinc/43/85/61/853438561.db2.gz NQXFTXZXJFJBAZ-UNMCSNQZSA-N 1 0 385.552 3.843 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)c1 ZINC000518522126 853468137 /nfs/dbraw/zinc/46/81/37/853468137.db2.gz KXGLYEMJMFOONC-UHFFFAOYSA-N 1 0 397.482 3.866 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437759890 853499282 /nfs/dbraw/zinc/49/92/82/853499282.db2.gz PTWVETCTNCMZNA-YADHBBJMSA-N 1 0 392.503 3.931 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000519873098 853574601 /nfs/dbraw/zinc/57/46/01/853574601.db2.gz PIKPPVGCUCATBP-UHFFFAOYSA-N 1 0 378.476 3.719 20 30 GHEDRO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000518709419 853671697 /nfs/dbraw/zinc/67/16/97/853671697.db2.gz WZIWAINVLFQCCP-IFMALSPDSA-N 1 0 390.531 3.972 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000517349303 853695357 /nfs/dbraw/zinc/69/53/57/853695357.db2.gz PCUIXQADIWWAAK-LJQANCHMSA-N 1 0 398.514 3.713 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(O)c(OC)c1 ZINC000164220492 853788989 /nfs/dbraw/zinc/78/89/89/853788989.db2.gz DJBKINWKQSJREC-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000571485058 853890278 /nfs/dbraw/zinc/89/02/78/853890278.db2.gz KFDRFJVYLQFFOU-UHFFFAOYSA-N 1 0 383.540 3.662 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1O ZINC000164454979 854013442 /nfs/dbraw/zinc/01/34/42/854013442.db2.gz SWOFIGKCGCKAHK-GOSISDBHSA-N 1 0 394.515 3.771 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000520421455 854191419 /nfs/dbraw/zinc/19/14/19/854191419.db2.gz XKNRWHCXCUTYOP-NSHGMRRFSA-N 1 0 399.535 3.590 20 30 GHEDRO COc1ccc(C[C@@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)c([N+](=O)[O-])c1 ZINC001170313545 881344092 /nfs/dbraw/zinc/34/40/92/881344092.db2.gz OIQVCIOQSJBIHN-CYBMUJFWSA-N 1 0 379.416 3.799 20 30 GHEDRO COCCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000572408458 854481425 /nfs/dbraw/zinc/48/14/25/854481425.db2.gz YGCOBVAJAHLDNR-UHFFFAOYSA-N 1 0 384.451 3.766 20 30 GHEDRO CN1CCC(CNC(=O)c2coc(C3CCCCC3)n2)([NH+]2CCCCC2)CC1 ZINC000328671614 854498431 /nfs/dbraw/zinc/49/84/31/854498431.db2.gz HKMLELDBPWMKTO-UHFFFAOYSA-N 1 0 388.556 3.977 20 30 GHEDRO O=C(CC1CCCC1)NCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000328736159 854521068 /nfs/dbraw/zinc/52/10/68/854521068.db2.gz KYMZVHZNJIFIKT-UHFFFAOYSA-N 1 0 383.536 3.573 20 30 GHEDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1coc(C2CCOCC2)n1 ZINC000328746007 854526019 /nfs/dbraw/zinc/52/60/19/854526019.db2.gz LBNJDVCRIMHRKD-UHFFFAOYSA-N 1 0 375.513 3.920 20 30 GHEDRO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000458897526 854552848 /nfs/dbraw/zinc/55/28/48/854552848.db2.gz VOBOKBWZNCLODK-FGZHOGPDSA-N 1 0 397.563 3.665 20 30 GHEDRO CCC(=O)N[C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000328793254 854558889 /nfs/dbraw/zinc/55/88/89/854558889.db2.gz ASXUSSLTXGGMIZ-QGZVFWFLSA-N 1 0 392.569 3.705 20 30 GHEDRO CCOc1cc2c(cc1NC(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000328867775 854587202 /nfs/dbraw/zinc/58/72/02/854587202.db2.gz OLMRLAZMOFNDNX-NVXWUHKLSA-N 1 0 387.524 3.618 20 30 GHEDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481988735 862583795 /nfs/dbraw/zinc/58/37/95/862583795.db2.gz GIFXLUXTWBLMRV-JOCHJYFZSA-N 1 0 398.528 3.536 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000328906668 854617116 /nfs/dbraw/zinc/61/71/16/854617116.db2.gz BPJPOKJWRFZKJG-UXHICEINSA-N 1 0 395.503 3.547 20 30 GHEDRO C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000328911954 854619219 /nfs/dbraw/zinc/61/92/19/854619219.db2.gz GVYLEGRPLZDUMF-WTGUMLROSA-N 1 0 378.472 3.616 20 30 GHEDRO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000328917051 854621181 /nfs/dbraw/zinc/62/11/81/854621181.db2.gz KLVYYOKJLGYSQP-VSKRKVRLSA-N 1 0 391.515 3.593 20 30 GHEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000330875498 854762002 /nfs/dbraw/zinc/76/20/02/854762002.db2.gz ZUVJBKSBGSIMBP-GFCCVEGCSA-N 1 0 389.874 3.848 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000330884249 854763285 /nfs/dbraw/zinc/76/32/85/854763285.db2.gz CAGKBDOVUGHICO-VXGBXAGGSA-N 1 0 384.318 3.611 20 30 GHEDRO CCOc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000425354572 854806882 /nfs/dbraw/zinc/80/68/82/854806882.db2.gz NDBUCFHMHMDAKV-DOTOQJQBSA-N 1 0 398.459 3.826 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000331267914 854827337 /nfs/dbraw/zinc/82/73/37/854827337.db2.gz JYNAVAXGJVOTPX-UHFFFAOYSA-N 1 0 396.329 3.645 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C[C@H]1C ZINC000331252643 854833185 /nfs/dbraw/zinc/83/31/85/854833185.db2.gz UQTSZWQVDBNZII-ZBFHGGJFSA-N 1 0 376.501 3.707 20 30 GHEDRO COc1cc(NC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000129518838 854842806 /nfs/dbraw/zinc/84/28/06/854842806.db2.gz INXWASIUTVCZHP-UHFFFAOYSA-N 1 0 395.503 3.921 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 ZINC000280804591 854861728 /nfs/dbraw/zinc/86/17/28/854861728.db2.gz SSFZYUPLPUISEA-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc(C#N)cc(N(C)C)c3)C2)s1 ZINC000572531742 854864745 /nfs/dbraw/zinc/86/47/45/854864745.db2.gz IFSVTIVURJGKGI-QGZVFWFLSA-N 1 0 396.560 3.588 20 30 GHEDRO N#Cc1cccc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000589440479 854878268 /nfs/dbraw/zinc/87/82/68/854878268.db2.gz VBKXYKPPCPSXEN-UHFFFAOYSA-N 1 0 384.483 3.776 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000056846442 855098356 /nfs/dbraw/zinc/09/83/56/855098356.db2.gz UWCACDAFRRDCAR-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000056935356 855131211 /nfs/dbraw/zinc/13/12/11/855131211.db2.gz VGOIVJICKPLLMQ-OAQYLSRUSA-N 1 0 385.483 3.835 20 30 GHEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000330198606 862655845 /nfs/dbraw/zinc/65/58/45/862655845.db2.gz UICXKQDMWFHTPL-ZFWWWQNUSA-N 1 0 388.418 3.866 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000590211988 855334898 /nfs/dbraw/zinc/33/48/98/855334898.db2.gz IKYNFEXIXOVUAN-QFIPXVFZSA-N 1 0 376.504 3.581 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000025867565 855366063 /nfs/dbraw/zinc/36/60/63/855366063.db2.gz JRQTWYOGVTVECF-RDTXWAMCSA-N 1 0 378.394 3.862 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000190607021 855498746 /nfs/dbraw/zinc/49/87/46/855498746.db2.gz ITKWPKJTNRAOQD-UHFFFAOYSA-N 1 0 388.256 3.889 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000590844842 855609653 /nfs/dbraw/zinc/60/96/53/855609653.db2.gz OSYBZPRJCITCOX-KRWDZBQOSA-N 1 0 398.898 3.520 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000280822224 855653207 /nfs/dbraw/zinc/65/32/07/855653207.db2.gz HXGAGSXTJYZHJX-HSZRJFAPSA-N 1 0 393.531 3.541 20 30 GHEDRO N#CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC000590920277 855653535 /nfs/dbraw/zinc/65/35/35/855653535.db2.gz VUFCRSRHRUKNBR-LEWJYISDSA-N 1 0 377.463 3.604 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000590922000 855654502 /nfs/dbraw/zinc/65/45/02/855654502.db2.gz SJJWVNFQADAYFE-MRXNPFEDSA-N 1 0 381.451 3.951 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000590923143 855655369 /nfs/dbraw/zinc/65/53/69/855655369.db2.gz NZCSXGURYCTZBN-IBGZPJMESA-N 1 0 386.496 3.521 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3nc(C(F)(F)F)ccc3C#N)CC2)cc1 ZINC000301290826 855656044 /nfs/dbraw/zinc/65/60/44/855656044.db2.gz NQTUZTSXRNOCFT-UHFFFAOYSA-N 1 0 390.409 3.693 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000590927503 855657325 /nfs/dbraw/zinc/65/73/25/855657325.db2.gz FJVYOUCRIVVVNC-YWZLYKJASA-N 1 0 382.533 3.943 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2snc(C)c2C#N)[NH+]2CCCCC2)cc1 ZINC000590965580 855677693 /nfs/dbraw/zinc/67/76/93/855677693.db2.gz CKTYIFFVUDBSHK-SFHVURJKSA-N 1 0 399.520 3.681 20 30 GHEDRO CCc1nnc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C#N)c1CC ZINC000301615487 855725736 /nfs/dbraw/zinc/72/57/36/855725736.db2.gz JBIXBLSWDMONAO-IRXDYDNUSA-N 1 0 393.535 3.694 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOc4ccccc4C3)sc2C1 ZINC000108159591 855736321 /nfs/dbraw/zinc/73/63/21/855736321.db2.gz JMUVDSHLCPNUJH-OAHLLOKOSA-N 1 0 395.528 3.968 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000591051140 855737541 /nfs/dbraw/zinc/73/75/41/855737541.db2.gz PBBSPBSMVZUCFD-JOCHJYFZSA-N 1 0 375.472 3.741 20 30 GHEDRO N#CC1(CC[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CCCCC1 ZINC000591026419 855746373 /nfs/dbraw/zinc/74/63/73/855746373.db2.gz JVAVIOTUXNZFBU-LJQANCHMSA-N 1 0 375.538 3.757 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000301809832 855761340 /nfs/dbraw/zinc/76/13/40/855761340.db2.gz GOUZZOXFVWFYLS-HXUWFJFHSA-N 1 0 378.520 3.805 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000591066830 855764241 /nfs/dbraw/zinc/76/42/41/855764241.db2.gz XHOUODVRGXRRFI-NJDAHSKKSA-N 1 0 383.561 3.502 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301824905 855764817 /nfs/dbraw/zinc/76/48/17/855764817.db2.gz OECPAVOBMSDLNH-GOSISDBHSA-N 1 0 384.911 3.841 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H]1CCO[C@@H](c3ccc(OC)cc3)C1)CCC2 ZINC001168645219 855771253 /nfs/dbraw/zinc/77/12/53/855771253.db2.gz RTXCTNPDWPNIAP-AUSIDOKSSA-N 1 0 397.519 3.720 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(CNc3cc(C(C)=O)ccc3C#N)cc2)CC1 ZINC000302106142 855817468 /nfs/dbraw/zinc/81/74/68/855817468.db2.gz NTFAOXCWHPHLCT-UHFFFAOYSA-N 1 0 376.504 3.510 20 30 GHEDRO Cc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302142096 855822215 /nfs/dbraw/zinc/82/22/15/855822215.db2.gz FSNAXIGFOJVFQW-UHFFFAOYSA-N 1 0 388.431 3.799 20 30 GHEDRO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCC(c3ccncc3)CC1)C2 ZINC000330287883 862724593 /nfs/dbraw/zinc/72/45/93/862724593.db2.gz BJHKPHUHCQXTRH-SFHVURJKSA-N 1 0 381.524 3.684 20 30 GHEDRO C[NH+](C)[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000302226206 855842332 /nfs/dbraw/zinc/84/23/32/855842332.db2.gz SITZQJVHLOUJAQ-AWEZNQCLSA-N 1 0 379.342 3.595 20 30 GHEDRO Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)nn1-c1cccc(C#N)c1 ZINC000542793442 855846655 /nfs/dbraw/zinc/84/66/55/855846655.db2.gz BZOUQVHNOAVWPS-OAQYLSRUSA-N 1 0 397.482 3.677 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc(OC(F)(F)F)cn3)CC2)cc1 ZINC000302287855 855850101 /nfs/dbraw/zinc/85/01/01/855850101.db2.gz KKUNCSZDSKVZRC-UHFFFAOYSA-N 1 0 376.382 3.564 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2cnc(C#N)cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302300198 855850735 /nfs/dbraw/zinc/85/07/35/855850735.db2.gz PVWPDGNOXLLVRB-KBXCAEBGSA-N 1 0 375.398 3.862 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000591308954 855901800 /nfs/dbraw/zinc/90/18/00/855901800.db2.gz FQRJIBBNXFFZFX-DLBZAZTESA-N 1 0 378.501 3.783 20 30 GHEDRO CC[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000108716375 855990154 /nfs/dbraw/zinc/99/01/54/855990154.db2.gz WGOHQTRHVCVNEQ-MRXNPFEDSA-N 1 0 385.895 3.790 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000123168618 856021523 /nfs/dbraw/zinc/02/15/23/856021523.db2.gz KDZVWONRHFAXJH-NRFANRHFSA-N 1 0 396.491 3.829 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000520717544 856138342 /nfs/dbraw/zinc/13/83/42/856138342.db2.gz CJSBIMNUTSDNHF-NRFANRHFSA-N 1 0 389.499 3.884 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000482164145 862764082 /nfs/dbraw/zinc/76/40/82/862764082.db2.gz OHVSPDAEFCIWGQ-JAXLGGSGSA-N 1 0 384.568 3.812 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Sc3ncccn3)cc2C)CC1 ZINC000171639604 856212452 /nfs/dbraw/zinc/21/24/52/856212452.db2.gz USHXDJWGYCSSCS-UHFFFAOYSA-N 1 0 383.521 3.708 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000171723617 856244619 /nfs/dbraw/zinc/24/46/19/856244619.db2.gz MDBBEYJUQCRTAG-UHFFFAOYSA-N 1 0 386.499 3.920 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 ZINC000171738854 856247315 /nfs/dbraw/zinc/24/73/15/856247315.db2.gz ONJOVEWYQNNRPW-UHFFFAOYSA-N 1 0 393.413 3.663 20 30 GHEDRO C#CC[N@@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195134 862774137 /nfs/dbraw/zinc/77/41/37/862774137.db2.gz FAIIJNBNCPUFFD-RTBURBONSA-N 1 0 386.289 3.942 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCO[C@H](c2ccccc2)C1)C(C)C ZINC000591843440 856342161 /nfs/dbraw/zinc/34/21/61/856342161.db2.gz HSNJHVBCKVOMLS-VXKWHMMOSA-N 1 0 385.552 3.858 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)cc1 ZINC000591850802 856385875 /nfs/dbraw/zinc/38/58/75/856385875.db2.gz GMDSQWGPPBRXOG-SFHVURJKSA-N 1 0 397.544 3.513 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ccc(Br)cc32)CC1 ZINC000905550952 856405815 /nfs/dbraw/zinc/40/58/15/856405815.db2.gz LNTWMSDFWQKTOT-ZBFHGGJFSA-N 1 0 391.309 3.840 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CC=CCC1 ZINC000485144034 856443382 /nfs/dbraw/zinc/44/33/82/856443382.db2.gz SDOGZRHUEYYHFU-INIZCTEOSA-N 1 0 387.549 3.742 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000624836882 856448004 /nfs/dbraw/zinc/44/80/04/856448004.db2.gz LXZZWRLTOKQJIQ-UAFMIMERSA-N 1 0 387.572 3.795 20 30 GHEDRO N#Cc1ccc(SCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000110386482 856523505 /nfs/dbraw/zinc/52/35/05/856523505.db2.gz WPYNAXNQONGEFO-SEJPIABJSA-N 1 0 391.540 3.962 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000674626512 856557106 /nfs/dbraw/zinc/55/71/06/856557106.db2.gz UBQRTRBFIXKPAA-UHFFFAOYSA-N 1 0 395.469 3.930 20 30 GHEDRO N#CCC1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000542881928 856559846 /nfs/dbraw/zinc/55/98/46/856559846.db2.gz WKDKEJUIKHIBTK-UHFFFAOYSA-N 1 0 384.261 3.686 20 30 GHEDRO COc1cncc(/C=C/CC[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000592099502 856643264 /nfs/dbraw/zinc/64/32/64/856643264.db2.gz ATNZDEGNGCJMKB-YSNSILARSA-N 1 0 380.467 3.515 20 30 GHEDRO Cc1nc(-c2ccccc2)[nH]c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593883461 862823177 /nfs/dbraw/zinc/82/31/77/862823177.db2.gz OYHZTFLZCYCFTB-UHFFFAOYSA-N 1 0 399.498 3.651 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000485507151 856680427 /nfs/dbraw/zinc/68/04/27/856680427.db2.gz QRFGYAYAHYLSPL-HXUWFJFHSA-N 1 0 396.556 3.851 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000047793731 862830372 /nfs/dbraw/zinc/83/03/72/862830372.db2.gz CKPABZIIEYWCLV-JOCHJYFZSA-N 1 0 392.503 3.593 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)cc1C(F)(F)F ZINC000111106464 856788148 /nfs/dbraw/zinc/78/81/48/856788148.db2.gz WKQROPXJOMXZAF-UHFFFAOYSA-N 1 0 375.394 3.778 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000465895237 856803214 /nfs/dbraw/zinc/80/32/14/856803214.db2.gz QXXPLDINQZSEPX-RKDVLTNBSA-N 1 0 396.535 3.516 20 30 GHEDRO CC(C)[NH+](CCN(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000508052662 856835417 /nfs/dbraw/zinc/83/54/17/856835417.db2.gz PXUJVMISEOXSTB-UHFFFAOYSA-N 1 0 383.458 3.817 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000592492245 856899096 /nfs/dbraw/zinc/89/90/96/856899096.db2.gz IABPICTZMDOBRL-GOSISDBHSA-N 1 0 394.519 3.671 20 30 GHEDRO CN(c1ccc(NC(=O)[C@]2(C#N)CC3CCC2CC3)cc1)C1CC[NH+](C)CC1 ZINC000906340261 857014734 /nfs/dbraw/zinc/01/47/34/857014734.db2.gz BZZBNSXCNGXVSB-KXXGJQBSSA-N 1 0 380.536 3.876 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000064237239 857120968 /nfs/dbraw/zinc/12/09/68/857120968.db2.gz HZJIDMQHVJIGKX-QFIPXVFZSA-N 1 0 376.504 3.845 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)CC1 ZINC000428149135 857153624 /nfs/dbraw/zinc/15/36/24/857153624.db2.gz HTWYLUKOELKMPR-UHFFFAOYSA-N 1 0 395.595 3.562 20 30 GHEDRO CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000508294781 857155365 /nfs/dbraw/zinc/15/53/65/857155365.db2.gz ZDNAUNSUTMWGHJ-UHFFFAOYSA-N 1 0 394.475 3.965 20 30 GHEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 ZINC000593031287 857186444 /nfs/dbraw/zinc/18/64/44/857186444.db2.gz ANXSFUCMWCGGQV-OAQYLSRUSA-N 1 0 383.517 3.652 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000592400468 857322193 /nfs/dbraw/zinc/32/21/93/857322193.db2.gz UETFXDGIVDJJNA-RDTXWAMCSA-N 1 0 389.421 3.833 20 30 GHEDRO N#Cc1cc(Br)cnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311076696 857337997 /nfs/dbraw/zinc/33/79/97/857337997.db2.gz VXEQNIHYPWXRIH-AEFFLSMTSA-N 1 0 397.320 3.674 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C ZINC001168757791 857403656 /nfs/dbraw/zinc/40/36/56/857403656.db2.gz LBRHUDIXSJXMQN-QUCCMNQESA-N 1 0 385.552 3.843 20 30 GHEDRO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000027133138 857494273 /nfs/dbraw/zinc/49/42/73/857494273.db2.gz CWZHPPVYCPGONG-UHFFFAOYSA-N 1 0 383.495 3.988 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](c2ccccc2Cl)C(C)C)c1 ZINC001168758823 857520706 /nfs/dbraw/zinc/52/07/06/857520706.db2.gz WKQSFBXRURRDML-HXUWFJFHSA-N 1 0 383.879 3.956 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000486219324 857562135 /nfs/dbraw/zinc/56/21/35/857562135.db2.gz FUEUOZSETUMVBU-UHFFFAOYSA-N 1 0 396.556 3.851 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442186651 857576111 /nfs/dbraw/zinc/57/61/11/857576111.db2.gz DXNAREJWHQKOOB-UHFFFAOYSA-N 1 0 384.402 3.700 20 30 GHEDRO N#CC1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000593430643 857586797 /nfs/dbraw/zinc/58/67/97/857586797.db2.gz QGOFMOICRYPPRC-RTWAWAEBSA-N 1 0 380.536 3.766 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593509939 857589913 /nfs/dbraw/zinc/58/99/13/857589913.db2.gz HEBGTRHTWBNXDN-UHFFFAOYSA-N 1 0 388.515 3.920 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442212830 857626341 /nfs/dbraw/zinc/62/63/41/857626341.db2.gz FGXZVBNNHRJCCK-UHFFFAOYSA-N 1 0 384.402 3.795 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000624353916 857742291 /nfs/dbraw/zinc/74/22/91/857742291.db2.gz CRQGHWPMQJOPDY-RBUKOAKNSA-N 1 0 385.508 3.541 20 30 GHEDRO CO[C@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001143114016 857747496 /nfs/dbraw/zinc/74/74/96/857747496.db2.gz KSNZUQNUNQUFSS-FKBYEOEOSA-N 1 0 377.488 3.544 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000593973704 857837240 /nfs/dbraw/zinc/83/72/40/857837240.db2.gz UZILAIFLUOMXEJ-GOSISDBHSA-N 1 0 393.556 3.967 20 30 GHEDRO C[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521372455 857924750 /nfs/dbraw/zinc/92/47/50/857924750.db2.gz QLNGJUYOGASELW-LJQANCHMSA-N 1 0 375.516 3.860 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000499633475 857934725 /nfs/dbraw/zinc/93/47/25/857934725.db2.gz DWVFLHLNYUDOTG-UHFFFAOYSA-N 1 0 394.515 3.997 20 30 GHEDRO Cc1cccc(C)c1OCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000439003918 858015317 /nfs/dbraw/zinc/01/53/17/858015317.db2.gz GMXZRTFBOHRSGO-UHFFFAOYSA-N 1 0 377.488 3.905 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000439010765 858027769 /nfs/dbraw/zinc/02/77/69/858027769.db2.gz XOEATRXFURTTIW-JBCDFXQESA-N 1 0 389.927 3.802 20 30 GHEDRO N#C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000594286812 858028214 /nfs/dbraw/zinc/02/82/14/858028214.db2.gz YLGRNIQLJCWHGX-YOEHRIQHSA-N 1 0 398.359 3.892 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000114468925 858049245 /nfs/dbraw/zinc/04/92/45/858049245.db2.gz RSTHPTRDGUTJBN-HXUWFJFHSA-N 1 0 383.879 3.522 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000466055496 858065656 /nfs/dbraw/zinc/06/56/56/858065656.db2.gz ZBTWLZGNXCZRFN-VGSWGCGISA-N 1 0 394.494 3.892 20 30 GHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508908505 858070703 /nfs/dbraw/zinc/07/07/03/858070703.db2.gz UBACTEUIOFCLGK-UHFFFAOYSA-N 1 0 395.551 3.636 20 30 GHEDRO COC1CC[NH+](C2(CNc3cc(C(F)(F)F)cnc3C#N)CCCC2)CC1 ZINC000574618984 858118078 /nfs/dbraw/zinc/11/80/78/858118078.db2.gz FBWDIHQNTZGMFG-UHFFFAOYSA-N 1 0 382.430 3.808 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000922154005 858122321 /nfs/dbraw/zinc/12/23/21/858122321.db2.gz HTYMYWWGNHEMAH-HXUWFJFHSA-N 1 0 384.520 3.706 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3c(C)cc(C#N)cc3C)CC2)cc1 ZINC000922158562 858162465 /nfs/dbraw/zinc/16/24/65/858162465.db2.gz JNYDODAGFLYIGI-UHFFFAOYSA-N 1 0 390.531 3.888 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000594429818 858174664 /nfs/dbraw/zinc/17/46/64/858174664.db2.gz WPYQGBFMBCLCEU-IRXDYDNUSA-N 1 0 378.314 3.818 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594446845 858178781 /nfs/dbraw/zinc/17/87/81/858178781.db2.gz YEMAXHDQRPVGBZ-LEWJYISDSA-N 1 0 379.504 3.951 20 30 GHEDRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594427778 858185331 /nfs/dbraw/zinc/18/53/31/858185331.db2.gz WKKHJBAOLVYUEK-OAHLLOKOSA-N 1 0 399.322 3.582 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000594525751 858210586 /nfs/dbraw/zinc/21/05/86/858210586.db2.gz ZALMYKYMQJISGF-JOCHJYFZSA-N 1 0 375.516 3.811 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)NCC2(C#N)CCCCC2)[NH+]2CCCC2)cc1 ZINC000594688801 858254271 /nfs/dbraw/zinc/25/42/71/858254271.db2.gz YYVODJQUERHCFM-HXUWFJFHSA-N 1 0 384.524 3.605 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C(N)=O)cc1 ZINC000594717478 858262318 /nfs/dbraw/zinc/26/23/18/858262318.db2.gz MJDNDHOVHCMMGO-CYBMUJFWSA-N 1 0 381.320 3.728 20 30 GHEDRO CCCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CC[N@H+](C)C1 ZINC000592830522 858297110 /nfs/dbraw/zinc/29/71/10/858297110.db2.gz GRVONMQMNRJDGG-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1cccc([C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)N2CCOCC2)c1 ZINC000594915215 858303109 /nfs/dbraw/zinc/30/31/09/858303109.db2.gz QKYKREZNIYMPQF-QHCPKHFHSA-N 1 0 375.516 3.713 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000594923222 858305844 /nfs/dbraw/zinc/30/58/44/858305844.db2.gz FAYBRJYQXGEZQA-OAQYLSRUSA-N 1 0 391.515 3.950 20 30 GHEDRO C=CCCSCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000595060598 858367022 /nfs/dbraw/zinc/36/70/22/858367022.db2.gz WKIWUQRCQURGIX-AWEZNQCLSA-N 1 0 390.368 3.567 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC000067011046 858394866 /nfs/dbraw/zinc/39/48/66/858394866.db2.gz XIEQTNYLVPNYBC-UHFFFAOYSA-N 1 0 376.382 3.610 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000574864099 858396804 /nfs/dbraw/zinc/39/68/04/858396804.db2.gz NJMZRZDZQIOFDV-HZPDHXFCSA-N 1 0 388.581 3.632 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000521893421 858424925 /nfs/dbraw/zinc/42/49/25/858424925.db2.gz LZGHPAXEYUWVAR-UHFFFAOYSA-N 1 0 390.531 3.784 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OC(F)(F)F ZINC000595232015 858447308 /nfs/dbraw/zinc/44/73/08/858447308.db2.gz OGPQJWGBTKKAQE-CQSZACIVSA-N 1 0 396.413 3.700 20 30 GHEDRO CC[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000592998468 858524762 /nfs/dbraw/zinc/52/47/62/858524762.db2.gz AWXIFSBNCNMEFA-INIZCTEOSA-N 1 0 383.517 3.582 20 30 GHEDRO COc1cc(C[NH2+]C2(CCO)CCCC2)ccc1OCc1cccc(C#N)c1 ZINC000595507904 858548281 /nfs/dbraw/zinc/54/82/81/858548281.db2.gz DHFFTDKSXSPERE-UHFFFAOYSA-N 1 0 380.488 3.931 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)[NH+]1CCCCC1 ZINC000595510934 858548855 /nfs/dbraw/zinc/54/88/55/858548855.db2.gz FSAQDPPICZRAIV-AZUAARDMSA-N 1 0 384.524 3.557 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000595582385 858559272 /nfs/dbraw/zinc/55/92/72/858559272.db2.gz UPSMHEVNUBDTFF-LNRXMEIDSA-N 1 0 380.536 3.622 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593027117 858565215 /nfs/dbraw/zinc/56/52/15/858565215.db2.gz NTIMLFHJBBOHFP-CQSZACIVSA-N 1 0 393.369 3.598 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000575096907 858585393 /nfs/dbraw/zinc/58/53/93/858585393.db2.gz IOUAPCJOTMCIRB-WFASDCNBSA-N 1 0 393.256 3.550 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115694608 858622310 /nfs/dbraw/zinc/62/23/10/858622310.db2.gz ZNCZEZJGDGNFNV-UHFFFAOYSA-N 1 0 382.483 3.881 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595628375 858622657 /nfs/dbraw/zinc/62/26/57/858622657.db2.gz MDKXWLVSMHTZNZ-FQEVSTJZSA-N 1 0 382.552 3.918 20 30 GHEDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000595679092 858632072 /nfs/dbraw/zinc/63/20/72/858632072.db2.gz VELUABGGIQRZGL-VKJFTORMSA-N 1 0 389.565 3.556 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC(F)CC1 ZINC000595653196 858638398 /nfs/dbraw/zinc/63/83/98/858638398.db2.gz KJJMYGREPKAWQQ-PBPGXSGUSA-N 1 0 386.515 3.739 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)CN2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000595659287 858640808 /nfs/dbraw/zinc/64/08/08/858640808.db2.gz ZXJTWMYFDPTOAA-MRXNPFEDSA-N 1 0 391.298 3.857 20 30 GHEDRO CC(C)(C)OC(=O)CCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000595717683 858657470 /nfs/dbraw/zinc/65/74/70/858657470.db2.gz NQCGVEFOFIRWMY-UHFFFAOYSA-N 1 0 391.537 3.782 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3cccc(Cl)c3)CCOCC2)c1 ZINC000595763698 858663122 /nfs/dbraw/zinc/66/31/22/858663122.db2.gz BCYLNALTIGGTQG-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO C[C@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccc(Cl)cc1 ZINC000595772607 858666320 /nfs/dbraw/zinc/66/63/20/858666320.db2.gz JTZSTUPXDJHNAS-INIZCTEOSA-N 1 0 397.906 3.684 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000595755788 858676448 /nfs/dbraw/zinc/67/64/48/858676448.db2.gz CQYWHLBMFZWAKD-NFBKMPQASA-N 1 0 378.472 3.614 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000527745670 858696318 /nfs/dbraw/zinc/69/63/18/858696318.db2.gz OLMVPBWLKDVLTI-UHFFFAOYSA-N 1 0 385.870 3.628 20 30 GHEDRO COC1(c2noc(CC3CC[NH+](CCc4ccc(C#N)cc4)CC3)n2)CCCC1 ZINC000595915700 858732254 /nfs/dbraw/zinc/73/22/54/858732254.db2.gz JVKGHYHCSGPSQM-UHFFFAOYSA-N 1 0 394.519 3.854 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC#N)C2)[NH+]2CCCCC2)cc1 ZINC000596090678 858779626 /nfs/dbraw/zinc/77/96/26/858779626.db2.gz RROPNXXXAUCGHJ-WIYYLYMNSA-N 1 0 384.524 3.557 20 30 GHEDRO CC(C)(NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000596130604 858787430 /nfs/dbraw/zinc/78/74/30/858787430.db2.gz SZXLRIUDAOYEMU-UHFFFAOYSA-N 1 0 376.504 3.541 20 30 GHEDRO COc1cc2[nH+]ccc(N3CCN(c4ccsc4C#N)CC3)c2cc1OC ZINC000596352033 858873013 /nfs/dbraw/zinc/87/30/13/858873013.db2.gz FQEARTAOJMFDEP-UHFFFAOYSA-N 1 0 380.473 3.512 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC[C@H]2OCCc3ccccc32)c(-c2ccncc2)n1 ZINC000922958347 858894243 /nfs/dbraw/zinc/89/42/43/858894243.db2.gz RDWBJQNQBPAWNL-JOCHJYFZSA-N 1 0 387.487 3.652 20 30 GHEDRO COc1cc(-c2noc(CC3(C#N)CCCCC3)n2)ccc1OCC[NH+](C)C ZINC000596588473 858954365 /nfs/dbraw/zinc/95/43/65/858954365.db2.gz TYOHRODZYNWDDA-UHFFFAOYSA-N 1 0 384.480 3.702 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC)C(C)C ZINC000184712082 858986007 /nfs/dbraw/zinc/98/60/07/858986007.db2.gz NDZOXLHGSMLURV-NRFANRHFSA-N 1 0 398.551 3.806 20 30 GHEDRO COc1ccc2cc(C[N@H+](C)C[C@@H](O)COc3ccc(C#N)cc3)ccc2c1 ZINC000025233738 858995609 /nfs/dbraw/zinc/99/56/09/858995609.db2.gz STPUPZRRSSQYPK-OAQYLSRUSA-N 1 0 376.456 3.592 20 30 GHEDRO C[C@H](CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[NH+](C)C ZINC000596694165 859010011 /nfs/dbraw/zinc/01/00/11/859010011.db2.gz FZHNIOIRVWVOMG-QGZVFWFLSA-N 1 0 380.492 3.793 20 30 GHEDRO C=CCCSCCNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000596701894 859018045 /nfs/dbraw/zinc/01/80/45/859018045.db2.gz ZDRIGFKRYCRAMD-CALCHBBNSA-N 1 0 377.554 3.727 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1C#N ZINC000060367712 859128567 /nfs/dbraw/zinc/12/85/67/859128567.db2.gz IDELVRKQFZJJTL-CQSZACIVSA-N 1 0 386.565 3.793 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1C#N ZINC000596903838 859159585 /nfs/dbraw/zinc/15/95/85/859159585.db2.gz GDNOSWCWADGKMU-KRWDZBQOSA-N 1 0 395.532 3.747 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000596910956 859165790 /nfs/dbraw/zinc/16/57/90/859165790.db2.gz QKWSERBSAFVUHX-QGZVFWFLSA-N 1 0 379.464 3.740 20 30 GHEDRO [NH2+]=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000187134046 859195095 /nfs/dbraw/zinc/19/50/95/859195095.db2.gz GXYOBOKAYKVNCQ-HZMBPMFUSA-N 1 0 399.335 3.795 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000483173564 859204471 /nfs/dbraw/zinc/20/44/71/859204471.db2.gz HOBQGCWBZRNNJF-NFBKMPQASA-N 1 0 376.500 3.766 20 30 GHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc(OC)c1OC ZINC000060407399 859237833 /nfs/dbraw/zinc/23/78/33/859237833.db2.gz BVYVTYGOJJWAAG-UHFFFAOYSA-N 1 0 386.492 3.538 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1CC#N)c1cccc(C(F)(F)F)c1 ZINC000601455842 859273739 /nfs/dbraw/zinc/27/37/39/859273739.db2.gz SYBZLJRAFDQOQG-GOSISDBHSA-N 1 0 375.394 3.804 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000499723635 859303618 /nfs/dbraw/zinc/30/36/18/859303618.db2.gz GQDNWGMKBBRGJD-HSZRJFAPSA-N 1 0 391.515 3.656 20 30 GHEDRO [NH3+]C1CCN(c2nccc(NC3=C(c4ccccc4)C(=O)c4ccccc43)n2)CC1 ZINC001168410755 859304002 /nfs/dbraw/zinc/30/40/02/859304002.db2.gz NOJPOMPGMBIRRZ-UHFFFAOYSA-N 1 0 397.482 3.581 20 30 GHEDRO COCCN(CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000069072196 859329033 /nfs/dbraw/zinc/32/90/33/859329033.db2.gz OBOIRCIGCFZPAY-INIZCTEOSA-N 1 0 385.895 3.537 20 30 GHEDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000597181447 859339697 /nfs/dbraw/zinc/33/96/97/859339697.db2.gz FKRZKHOEIZJSSH-CVEARBPZSA-N 1 0 384.398 3.543 20 30 GHEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)C1=O ZINC000499733610 859397029 /nfs/dbraw/zinc/39/70/29/859397029.db2.gz KYYXTLSPOWKLKG-VQIMIIECSA-N 1 0 397.544 3.785 20 30 GHEDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)s1 ZINC000597252036 859397676 /nfs/dbraw/zinc/39/76/76/859397676.db2.gz HVRYPOAFKHTPBS-MRXNPFEDSA-N 1 0 381.501 3.864 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](CF)c3ccc(F)cc3)CC2)cc1 ZINC000601650218 859407976 /nfs/dbraw/zinc/40/79/76/859407976.db2.gz DFCWCWAIKVYGSW-NRFANRHFSA-N 1 0 398.457 3.625 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC1(C#N)CCCCC1 ZINC000597319967 859452424 /nfs/dbraw/zinc/45/24/24/859452424.db2.gz IQZGRQKAHPRSJH-UHFFFAOYSA-N 1 0 384.524 3.640 20 30 GHEDRO Cc1ccc2snc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c2c1 ZINC000593347029 859514349 /nfs/dbraw/zinc/51/43/49/859514349.db2.gz CGLDMUCILCFMIJ-UHFFFAOYSA-N 1 0 390.512 3.871 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)cc4ccncc43)CC2)c1 ZINC000593347915 859518961 /nfs/dbraw/zinc/51/89/61/859518961.db2.gz IRCLDNOLDZDNSL-UHFFFAOYSA-N 1 0 388.446 3.640 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597427684 859530346 /nfs/dbraw/zinc/53/03/46/859530346.db2.gz XRONJVZNEMVBBY-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[C@@H](Oc1ccccc1C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352518 859534963 /nfs/dbraw/zinc/53/49/63/859534963.db2.gz DHZJBSVIYLPPBG-JOCHJYFZSA-N 1 0 391.515 3.805 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3OC(F)F)CC2)c1 ZINC000593354097 859550981 /nfs/dbraw/zinc/55/09/81/859550981.db2.gz WZACVOZCMZTANX-UHFFFAOYSA-N 1 0 385.414 3.554 20 30 GHEDRO COc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000593354511 859554165 /nfs/dbraw/zinc/55/41/65/859554165.db2.gz QFFWNLWFAOODLW-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)CC2)c1 ZINC000593354561 859555090 /nfs/dbraw/zinc/55/50/90/859555090.db2.gz SAHYHVYCMXFUQD-UXHICEINSA-N 1 0 395.453 3.721 20 30 GHEDRO C[C@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593354760 859557182 /nfs/dbraw/zinc/55/71/82/859557182.db2.gz LETDOBSLHZMVNB-INIZCTEOSA-N 1 0 397.906 3.760 20 30 GHEDRO C[NH+]1CC2(C1)CCN(C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)C2 ZINC000597571343 859645005 /nfs/dbraw/zinc/64/50/05/859645005.db2.gz HBNXAVUCXWRDFW-UHFFFAOYSA-N 1 0 381.863 3.782 20 30 GHEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000611211563 859646462 /nfs/dbraw/zinc/64/64/62/859646462.db2.gz YOWNVGJQWJWPFV-UHFFFAOYSA-N 1 0 387.487 3.779 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597587091 859669611 /nfs/dbraw/zinc/66/96/11/859669611.db2.gz PJIUWNNZGNAUQO-UHFFFAOYSA-N 1 0 398.457 3.867 20 30 GHEDRO CCc1cnccc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593382922 859671635 /nfs/dbraw/zinc/67/16/35/859671635.db2.gz ANSYQTLSBQRJQY-QGZVFWFLSA-N 1 0 391.519 3.540 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967106 859681328 /nfs/dbraw/zinc/68/13/28/859681328.db2.gz FNBHKEVTULQZEF-NEPJUHHUSA-N 1 0 397.306 3.592 20 30 GHEDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000597616455 859685583 /nfs/dbraw/zinc/68/55/83/859685583.db2.gz FQYVIYOQRDVSGB-SFHVURJKSA-N 1 0 391.943 3.545 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000597649348 859692887 /nfs/dbraw/zinc/69/28/87/859692887.db2.gz UANWEROOCMOCQM-QFIPXVFZSA-N 1 0 381.426 3.575 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1C ZINC000611350081 859713945 /nfs/dbraw/zinc/71/39/45/859713945.db2.gz AQKIAAANIFMGCN-SFTDATJTSA-N 1 0 383.536 3.689 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC[N@@H+](C(C)C)CC2)c1=S ZINC000764969705 859714017 /nfs/dbraw/zinc/71/40/17/859714017.db2.gz AYHXHTPPOCKIFD-UHFFFAOYSA-N 1 0 385.581 3.949 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1C#N ZINC000611347944 859722427 /nfs/dbraw/zinc/72/24/27/859722427.db2.gz NEEKUYRRAQQIIX-QFIPXVFZSA-N 1 0 385.515 3.759 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000611362948 859729009 /nfs/dbraw/zinc/72/90/09/859729009.db2.gz GTNSGVOQUONOSG-UHFFFAOYSA-N 1 0 397.482 3.652 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]2C[NH+]2CCCCC2)nc1-c1ccccn1 ZINC000765007499 859733784 /nfs/dbraw/zinc/73/37/84/859733784.db2.gz FUHMPQKLKOYLQP-GOSISDBHSA-N 1 0 398.580 3.570 20 30 GHEDRO N#CCN1CCC([NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000611519216 859797991 /nfs/dbraw/zinc/79/79/91/859797991.db2.gz DWOUMWZNEOCUSI-JOCHJYFZSA-N 1 0 397.906 3.778 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2nccn2CC)cc1OC ZINC000922402926 859927685 /nfs/dbraw/zinc/92/76/85/859927685.db2.gz CWKNVQZWVRTGKO-VQIMIIECSA-N 1 0 391.899 3.750 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2csc(C#N)c2)CC2(CCOCC2)C1 ZINC000922416054 859938363 /nfs/dbraw/zinc/93/83/63/859938363.db2.gz LPUIFCWXWUZBOX-INIZCTEOSA-N 1 0 391.537 3.516 20 30 GHEDRO COc1ccccc1[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCCCC1 ZINC000123374162 859939298 /nfs/dbraw/zinc/93/92/98/859939298.db2.gz OUZBOVIYNCIQOE-NRFANRHFSA-N 1 0 389.503 3.531 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091869319 859949896 /nfs/dbraw/zinc/94/98/96/859949896.db2.gz IRTXUCGLYRVPGY-UHFFFAOYSA-N 1 0 384.451 3.766 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]Cc1cccc(C#N)c1)CCO2 ZINC000921522023 860011761 /nfs/dbraw/zinc/01/17/61/860011761.db2.gz PZHOLSQLYLJTPR-LJQANCHMSA-N 1 0 385.508 3.597 20 30 GHEDRO CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598039633 860017378 /nfs/dbraw/zinc/01/73/78/860017378.db2.gz LHYUKZWYMZTKQL-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO CC(N=Nc1ccc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000727263177 860020254 /nfs/dbraw/zinc/02/02/54/860020254.db2.gz QJACPHROTAPZNC-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H](c4ccccc4)C3)CC2)c1 ZINC000593510680 860051047 /nfs/dbraw/zinc/05/10/47/860051047.db2.gz AKJOCOJVCWHOIL-JOCHJYFZSA-N 1 0 388.515 3.722 20 30 GHEDRO COc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1OC1CCCC1 ZINC000123754413 860072567 /nfs/dbraw/zinc/07/25/67/860072567.db2.gz GFNYGAKDJNYPKK-UHFFFAOYSA-N 1 0 376.460 3.826 20 30 GHEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000602520207 860073024 /nfs/dbraw/zinc/07/30/24/860073024.db2.gz KWZLVFUPDFUTHY-SFHVURJKSA-N 1 0 381.499 3.577 20 30 GHEDRO CCn1ncc2c1[C@H](COC)C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170384392 881498643 /nfs/dbraw/zinc/49/86/43/881498643.db2.gz WTKFJKPWAXBNEI-YGWXTMFKSA-N 1 0 378.520 3.853 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602526214 860097410 /nfs/dbraw/zinc/09/74/10/860097410.db2.gz FDKQHAIVAGURPQ-MOPGFXCFSA-N 1 0 398.551 3.692 20 30 GHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508931596 860105324 /nfs/dbraw/zinc/10/53/24/860105324.db2.gz PRPVWZCQLLFYFS-UHFFFAOYSA-N 1 0 383.515 3.891 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000602571150 860121501 /nfs/dbraw/zinc/12/15/01/860121501.db2.gz YFSLBJPTUUIQHV-CVEARBPZSA-N 1 0 384.442 3.545 20 30 GHEDRO C[C@@H](c1noc(C2CC3(C2)C[NH2+]C[C@H]3C#N)n1)c1ccc(Br)cc1 ZINC000904105191 860128958 /nfs/dbraw/zinc/12/89/58/860128958.db2.gz AVCDINRDHQGNNJ-ZHKKWPCLSA-N 1 0 387.281 3.591 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@@H]1C ZINC000484600887 860160095 /nfs/dbraw/zinc/16/00/95/860160095.db2.gz FJAGCKQMFMAQHE-YJBOKZPZSA-N 1 0 397.548 3.942 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000484628492 860202715 /nfs/dbraw/zinc/20/27/15/860202715.db2.gz HUKIWTKEHAVGBB-QZTJIDSGSA-N 1 0 391.556 3.616 20 30 GHEDRO CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170394985 881511644 /nfs/dbraw/zinc/51/16/44/881511644.db2.gz DTQICQJABFFTDF-DQBMGFJSSA-N 1 0 397.563 3.786 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)cc(OC)c1O ZINC000895988279 860205649 /nfs/dbraw/zinc/20/56/49/860205649.db2.gz BJRFOURDBFAUFX-HXUWFJFHSA-N 1 0 375.509 3.739 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000484646300 860219244 /nfs/dbraw/zinc/21/92/44/860219244.db2.gz UMVYPICUMYJBRW-UHFFFAOYSA-N 1 0 383.540 3.684 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c(-c2ccccc2)n1 ZINC000602713493 860226053 /nfs/dbraw/zinc/22/60/53/860226053.db2.gz CDEDVGMJLGXMFN-JOCHJYFZSA-N 1 0 387.487 3.650 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000602729163 860239948 /nfs/dbraw/zinc/23/99/48/860239948.db2.gz RMOFYZOXIMPASH-ZYRRHWMLSA-N 1 0 375.310 3.776 20 30 GHEDRO CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1nc2ccccc2n1C ZINC000093363898 860258928 /nfs/dbraw/zinc/25/89/28/860258928.db2.gz WJARSPNWSUTRAV-UHFFFAOYSA-N 1 0 384.487 3.982 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508955216 860260462 /nfs/dbraw/zinc/26/04/62/860260462.db2.gz DREKRVFNWSTSNV-NRFANRHFSA-N 1 0 390.535 3.764 20 30 GHEDRO C=CCn1c(C2CC2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508965912 860308705 /nfs/dbraw/zinc/30/87/05/860308705.db2.gz XTMCGXBWGZAPCU-NHCUHLMSSA-N 1 0 377.536 3.832 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000329255860 860321505 /nfs/dbraw/zinc/32/15/05/860321505.db2.gz XHTXLFMPLBIPIA-OXJNMPFZSA-N 1 0 376.460 3.908 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000153015640 881529686 /nfs/dbraw/zinc/52/96/86/881529686.db2.gz HFYPDONDTLJARQ-OAHLLOKOSA-N 1 0 379.932 3.696 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[C@H]2C1 ZINC000329457368 860365623 /nfs/dbraw/zinc/36/56/23/860365623.db2.gz QPDQSUGIUULNDP-QRWLVFNGSA-N 1 0 379.435 3.656 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000598600220 860440862 /nfs/dbraw/zinc/44/08/62/860440862.db2.gz IOZISTQBKIMMAS-OXQOHEQNSA-N 1 0 397.494 3.958 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000509003103 860497382 /nfs/dbraw/zinc/49/73/82/860497382.db2.gz UYNFDHUJAKUNHV-IEBWSBKVSA-N 1 0 383.565 3.570 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@@H](CCSc2ccccc2)c2ccc(F)cc2)n1 ZINC000552338722 860511696 /nfs/dbraw/zinc/51/16/96/860511696.db2.gz NXRKIZNGZPIEOQ-IBGZPJMESA-N 1 0 381.480 3.802 20 30 GHEDRO CC(C)[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025535630 860535003 /nfs/dbraw/zinc/53/50/03/860535003.db2.gz XARZVYYNZRPUAA-JPYJTQIMSA-N 1 0 391.515 3.525 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000552682105 860554933 /nfs/dbraw/zinc/55/49/33/860554933.db2.gz YIGRPAQMQVFCFW-XMSQKQJNSA-N 1 0 389.499 3.836 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000125060564 860568978 /nfs/dbraw/zinc/56/89/78/860568978.db2.gz GHOCFLJJUUNMKF-UHFFFAOYSA-N 1 0 385.414 3.708 20 30 GHEDRO C=CC[NH+]1CCC(NCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC1 ZINC000172119973 860571441 /nfs/dbraw/zinc/57/14/41/860571441.db2.gz UPKBYLFSNMBPHJ-UHFFFAOYSA-N 1 0 388.512 3.707 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586508 881560280 /nfs/dbraw/zinc/56/02/80/881560280.db2.gz RYAKASKEOJBRBO-QFIPXVFZSA-N 1 0 383.923 3.692 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)NCc1ccccc1C[NH+]1CCCC1)C2 ZINC000598954200 860698900 /nfs/dbraw/zinc/69/89/00/860698900.db2.gz PEJKYPNUEOTXGB-UHFFFAOYSA-N 1 0 388.515 3.616 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000598969982 860706338 /nfs/dbraw/zinc/70/63/38/860706338.db2.gz PEHWHDBRKUTGEX-OALUTQOASA-N 1 0 382.552 3.578 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000598969979 860706501 /nfs/dbraw/zinc/70/65/01/860706501.db2.gz PEHWHDBRKUTGEX-KDURUIRLSA-N 1 0 382.552 3.578 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)cc1 ZINC000896442710 860758040 /nfs/dbraw/zinc/75/80/40/860758040.db2.gz YGZHDZVNBYASFW-GOSISDBHSA-N 1 0 378.472 3.921 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000125737302 860762115 /nfs/dbraw/zinc/76/21/15/860762115.db2.gz LDLIUPAWGQKITP-QHCPKHFHSA-N 1 0 380.488 3.765 20 30 GHEDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000509068351 860787286 /nfs/dbraw/zinc/78/72/86/860787286.db2.gz XDOSHDBENDXXJG-IBGZPJMESA-N 1 0 391.515 3.839 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NCc2ccon2)c1 ZINC000131203159 860866131 /nfs/dbraw/zinc/86/61/31/860866131.db2.gz ZBODSBSXXWYFJI-UHFFFAOYSA-O 1 0 386.884 3.653 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000599184028 860887096 /nfs/dbraw/zinc/88/70/96/860887096.db2.gz WDOXFLCCZXTFDG-UHFFFAOYSA-N 1 0 378.520 3.805 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)CC1 ZINC000730125541 860890262 /nfs/dbraw/zinc/89/02/62/860890262.db2.gz VDJIEXPXNVQBHI-SFHVURJKSA-N 1 0 377.916 3.543 20 30 GHEDRO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)CC2 ZINC000593693164 860904038 /nfs/dbraw/zinc/90/40/38/860904038.db2.gz RIMLCFGTCIQUMZ-HSZRJFAPSA-N 1 0 375.516 3.678 20 30 GHEDRO C[C@@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1nc2ccccc2n1C(F)F ZINC000329037698 860967367 /nfs/dbraw/zinc/96/73/67/860967367.db2.gz CQEICPPFDQWNLE-CQSZACIVSA-N 1 0 391.466 3.967 20 30 GHEDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593719296 860979014 /nfs/dbraw/zinc/97/90/14/860979014.db2.gz BCWRWNSWBYXPHE-UNMCSNQZSA-N 1 0 377.536 3.572 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Cc3noc(C)n3)CC2)cc1OCCCC#N ZINC000896551044 861001598 /nfs/dbraw/zinc/00/15/98/861001598.db2.gz JFQNCADEAPDNGD-UHFFFAOYSA-N 1 0 384.480 3.524 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)N[C@H]1CCOc2ccccc21 ZINC000329089345 861008373 /nfs/dbraw/zinc/00/83/73/861008373.db2.gz WBRXJTDCTPWNAV-MLNNCEHLSA-N 1 0 392.499 3.971 20 30 GHEDRO N#CC1(C[C@H](O)CN2CCSC[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599294110 861036585 /nfs/dbraw/zinc/03/65/85/861036585.db2.gz BVWSUAZKXXZFJJ-ROUUACIJSA-N 1 0 380.941 3.501 20 30 GHEDRO COc1ccc([C@H](OC)[C@H](C)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000329149851 861067854 /nfs/dbraw/zinc/06/78/54/861067854.db2.gz QZUIYGAMCWJNHL-LAUBAEHRSA-N 1 0 389.540 3.636 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)CCOCC1 ZINC000599356943 861100523 /nfs/dbraw/zinc/10/05/23/861100523.db2.gz PAJURIWYNRZBSC-UGKGYDQZSA-N 1 0 382.479 3.770 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc(NC(C)=O)nc2)cc1OC ZINC000623510477 861126202 /nfs/dbraw/zinc/12/62/02/861126202.db2.gz ZZFYFHYBXYQIGR-UHFFFAOYSA-N 1 0 375.856 3.557 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)c1 ZINC000329199721 861129295 /nfs/dbraw/zinc/12/92/95/861129295.db2.gz BBZOXRPZJGPBKX-HRAATJIYSA-N 1 0 387.524 3.646 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)c(O)c1 ZINC000730547325 861161999 /nfs/dbraw/zinc/16/19/99/861161999.db2.gz QKCLGDDRYFAGPS-LPGPRXSPSA-N 1 0 393.487 3.923 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1OC ZINC000623539602 861177544 /nfs/dbraw/zinc/17/75/44/861177544.db2.gz WFWGVHYONVYYTQ-UHFFFAOYSA-N 1 0 395.908 3.607 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)c1 ZINC000733800089 863193230 /nfs/dbraw/zinc/19/32/30/863193230.db2.gz GWVNMSZVZHMMBI-INIZCTEOSA-N 1 0 383.883 3.901 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000160135574 863341149 /nfs/dbraw/zinc/34/11/49/863341149.db2.gz LDJZCYSCOOWDIL-IBGZPJMESA-N 1 0 381.476 3.570 20 30 GHEDRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000281936303 863525449 /nfs/dbraw/zinc/52/54/49/863525449.db2.gz IMKMLMHBKFSRHI-QGZVFWFLSA-N 1 0 377.479 3.744 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000593974313 863589448 /nfs/dbraw/zinc/58/94/48/863589448.db2.gz VNGJNCFJFSVWRO-OAQYLSRUSA-N 1 0 397.906 3.763 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522866609 863592035 /nfs/dbraw/zinc/59/20/35/863592035.db2.gz OYJCWSIMAIIGPC-QFIPXVFZSA-N 1 0 376.504 3.602 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000120597452 881683573 /nfs/dbraw/zinc/68/35/73/881683573.db2.gz PPYYIUHNFPIKJF-NQIIRXRSSA-N 1 0 398.551 3.695 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000593990358 863679495 /nfs/dbraw/zinc/67/94/95/863679495.db2.gz FYELYKDQNUAEFY-UHFFFAOYSA-N 1 0 390.896 3.540 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019484 863758569 /nfs/dbraw/zinc/75/85/69/863758569.db2.gz MVDIYTYPIPYNJE-UHFFFAOYSA-N 1 0 391.500 3.771 20 30 GHEDRO N#CCC[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000132740717 881694054 /nfs/dbraw/zinc/69/40/54/881694054.db2.gz WSLLLRMUGHDMSV-GMAHTHKFSA-N 1 0 390.531 3.895 20 30 GHEDRO C=CCN(C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)[C@@H](C)COC ZINC000667605409 863923812 /nfs/dbraw/zinc/92/38/12/863923812.db2.gz GONCESUTMUZFMZ-AWEZNQCLSA-N 1 0 388.537 3.945 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000554257149 863980641 /nfs/dbraw/zinc/98/06/41/863980641.db2.gz BHPKHQNUSDHCTP-IBGZPJMESA-N 1 0 378.476 3.667 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000184087254 864054316 /nfs/dbraw/zinc/05/43/16/864054316.db2.gz FCVWHQGXRQWMBD-IBGZPJMESA-N 1 0 396.466 3.856 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1c(C)c(C(F)(F)F)nn1C)C(C)C ZINC000480128064 864106928 /nfs/dbraw/zinc/10/69/28/864106928.db2.gz ZRGLINHNESXNPF-CQSZACIVSA-N 1 0 387.450 3.567 20 30 GHEDRO CCC[N@H+](CCOc1ccccc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566540 864118663 /nfs/dbraw/zinc/11/86/63/864118663.db2.gz QHIGKFVLYBFLIX-UHFFFAOYSA-N 1 0 391.515 3.954 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2cc(F)c(F)cc2F)CC1 ZINC000734301628 864136512 /nfs/dbraw/zinc/13/65/12/864136512.db2.gz ISCKTXGEAISIJK-UHFFFAOYSA-N 1 0 382.817 3.955 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3COCC[C@H]32)sc2c1CCCCC2 ZINC000532312281 881744214 /nfs/dbraw/zinc/74/42/14/881744214.db2.gz DWAIFKSSXLLBDH-MAUKXSAKSA-N 1 0 387.549 3.718 20 30 GHEDRO C=CC[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccncc1 ZINC000734659756 864375620 /nfs/dbraw/zinc/37/56/20/864375620.db2.gz GFKHUWKOYMHEGJ-NRFANRHFSA-N 1 0 382.483 3.802 20 30 GHEDRO C[C@H](NC(=O)NCCSCc1ccccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000554468184 864380882 /nfs/dbraw/zinc/38/08/82/864380882.db2.gz LKTWMYSJPBDLCU-LAUBAEHRSA-N 1 0 396.560 3.782 20 30 GHEDRO C[C@@H](NC(=O)NCCSCc1ccccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000554468183 864381050 /nfs/dbraw/zinc/38/10/50/864381050.db2.gz LKTWMYSJPBDLCU-DYESRHJHSA-N 1 0 396.560 3.782 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1 ZINC000734663950 864389379 /nfs/dbraw/zinc/38/93/79/864389379.db2.gz QSJITEAZJLNCSC-PXNSSMCTSA-N 1 0 384.549 3.972 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1 ZINC000734663951 864390131 /nfs/dbraw/zinc/39/01/31/864390131.db2.gz QSJITEAZJLNCSC-XLIONFOSSA-N 1 0 384.549 3.972 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1CCOc2ccccc21 ZINC000262438987 864412292 /nfs/dbraw/zinc/41/22/92/864412292.db2.gz UHQNSTJWJOZYEH-LJQANCHMSA-N 1 0 376.460 3.839 20 30 GHEDRO C[NH+]=C(NCc1cc(Br)cs1)NCc1ncc(C(C)(C)C)o1 ZINC000262439536 864413353 /nfs/dbraw/zinc/41/33/53/864413353.db2.gz COVXYOUVDAQMCG-UHFFFAOYSA-N 1 0 385.331 3.661 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)C2 ZINC000594083565 864577803 /nfs/dbraw/zinc/57/78/03/864577803.db2.gz KLDKEEYVIYVNFG-UHFFFAOYSA-N 1 0 390.487 3.971 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C12CCC2 ZINC000763698453 864595679 /nfs/dbraw/zinc/59/56/79/864595679.db2.gz RHKBTTFMRVBLFQ-FFZOFVMBSA-N 1 0 390.487 3.503 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063401907 864656131 /nfs/dbraw/zinc/65/61/31/864656131.db2.gz XZNJIFCCUBMFBD-HDICACEKSA-N 1 0 388.512 3.660 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000063400583 864696871 /nfs/dbraw/zinc/69/68/71/864696871.db2.gz PHNHXKUOIMRHTL-UHFFFAOYSA-N 1 0 388.512 3.947 20 30 GHEDRO CCc1c(C(=O)C(C(=S)NC(C)C)[n+]2ccc(C)cc2)[nH]c(C)c1C(C)=O ZINC000063440548 864767390 /nfs/dbraw/zinc/76/73/90/864767390.db2.gz UXIMBSDRCXZDLP-UHFFFAOYSA-O 1 0 386.541 3.621 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475317588 864777482 /nfs/dbraw/zinc/77/74/82/864777482.db2.gz NWEZYMGUJOSZFW-GOSISDBHSA-N 1 0 385.458 3.943 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000122871242 864795046 /nfs/dbraw/zinc/79/50/46/864795046.db2.gz IGAFDZJCLUSFFJ-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@H](C[N@@H+](C)CC)C2)c1=S ZINC000173491748 864816911 /nfs/dbraw/zinc/81/69/11/864816911.db2.gz QMZDTAWWOWAKMO-MRXNPFEDSA-N 1 0 389.544 3.637 20 30 GHEDRO C=CC(C)(C)c1nc(-c2cc3c([nH]c2=O)CC[N@H+](Cc2ccccc2)C3)no1 ZINC000897258115 864989854 /nfs/dbraw/zinc/98/98/54/864989854.db2.gz VHEKEICKSZSISU-UHFFFAOYSA-N 1 0 376.460 3.859 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000173793466 865081737 /nfs/dbraw/zinc/08/17/37/865081737.db2.gz UYQGHMCBYUKJFX-UHFFFAOYSA-N 1 0 375.488 3.814 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000480684620 865113874 /nfs/dbraw/zinc/11/38/74/865113874.db2.gz UHHYVYCFQIQLDP-YLJYHZDGSA-N 1 0 377.488 3.667 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1 ZINC000301183680 865211711 /nfs/dbraw/zinc/21/17/11/865211711.db2.gz QLYMHYSXWRGZJB-UHFFFAOYSA-N 1 0 394.853 3.617 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000063754366 865276059 /nfs/dbraw/zinc/27/60/59/865276059.db2.gz OKEFZNMHCWDKKE-UHFFFAOYSA-N 1 0 388.467 3.802 20 30 GHEDRO CC(C)(C)c1ccc(N2CCC([NH2+]Cc3cnc4c(C#N)cnn4c3)CC2)cc1 ZINC000920181369 881862543 /nfs/dbraw/zinc/86/25/43/881862543.db2.gz ROKQXRPBZOOAKC-UHFFFAOYSA-N 1 0 388.519 3.657 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594255577 865619877 /nfs/dbraw/zinc/61/98/77/865619877.db2.gz GYXBZGQPJWUSIK-XXBNENTESA-N 1 0 375.516 3.765 20 30 GHEDRO N#Cc1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cnc1C(F)(F)F ZINC000555222906 865717461 /nfs/dbraw/zinc/71/74/61/865717461.db2.gz INGBGCBXBBBWSW-KRWDZBQOSA-N 1 0 388.393 3.539 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccsc1 ZINC000608811948 865718424 /nfs/dbraw/zinc/71/84/24/865718424.db2.gz YEWHSGPMMHSYBY-LJQANCHMSA-N 1 0 395.484 3.824 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000567605729 865753080 /nfs/dbraw/zinc/75/30/80/865753080.db2.gz BUKKBAUTRXHGLY-DVKRWUGUSA-N 1 0 381.516 3.643 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000481075102 865761549 /nfs/dbraw/zinc/76/15/49/865761549.db2.gz NKOAPQHMPFJIHL-HXUWFJFHSA-N 1 0 397.519 3.524 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000739991691 865820359 /nfs/dbraw/zinc/82/03/59/865820359.db2.gz ZCDVOYSKQXWCEL-QHCPKHFHSA-N 1 0 391.515 3.794 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000174468700 865828425 /nfs/dbraw/zinc/82/84/25/865828425.db2.gz GJIPOFZODJVKJJ-FQEVSTJZSA-N 1 0 396.922 3.975 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1OCCCC#N ZINC000174511781 865857735 /nfs/dbraw/zinc/85/77/35/865857735.db2.gz OQUHFAGPUYIWSQ-HXUWFJFHSA-N 1 0 393.487 3.581 20 30 GHEDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000109015421 865905915 /nfs/dbraw/zinc/90/59/15/865905915.db2.gz RANBSUAIFQGJDJ-QHCPKHFHSA-N 1 0 388.467 3.969 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCN(c4cccc(F)c4)C3)CC2)cc1 ZINC000563904366 865928311 /nfs/dbraw/zinc/92/83/11/865928311.db2.gz TYPDXCZFUNJWIQ-OAQYLSRUSA-N 1 0 378.495 3.925 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000740898983 866088881 /nfs/dbraw/zinc/08/88/81/866088881.db2.gz JWTIAHQIVPVIQX-QGZVFWFLSA-N 1 0 394.696 3.938 20 30 GHEDRO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC000475508652 866125081 /nfs/dbraw/zinc/12/50/81/866125081.db2.gz NIECBXYVCDJEHE-GFCCVEGCSA-N 1 0 380.229 3.867 20 30 GHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508825309 866141942 /nfs/dbraw/zinc/14/19/42/866141942.db2.gz JTXHQSSNBXGVSC-IBGZPJMESA-N 1 0 392.507 3.563 20 30 GHEDRO Cc1nn(-c2ccccc2)c(COC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1C#N ZINC000741011971 866159762 /nfs/dbraw/zinc/15/97/62/866159762.db2.gz YVFHLOCQFABOHP-NRFANRHFSA-N 1 0 380.492 3.606 20 30 GHEDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000475694535 881946181 /nfs/dbraw/zinc/94/61/81/881946181.db2.gz HDURGRCPOSDTMA-OAQYLSRUSA-N 1 0 389.565 3.700 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)C(=O)N2Cc3ccccc3C2)ccc1OC ZINC000475515891 866165718 /nfs/dbraw/zinc/16/57/18/866165718.db2.gz GWHKILCUAVOQKC-KRWDZBQOSA-N 1 0 380.488 3.671 20 30 GHEDRO CCn1ncc(Cl)c1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000857036789 881948464 /nfs/dbraw/zinc/94/84/64/881948464.db2.gz RIMIPJVKCFBFLG-UHFFFAOYSA-N 1 0 386.883 3.519 20 30 GHEDRO COc1ccc([C@H]2[C@H](COC(=O)CCc3ccc(C#N)cc3)CC[N@@H+]2C)cc1 ZINC000741122670 866246116 /nfs/dbraw/zinc/24/61/16/866246116.db2.gz DHYORPCPBHPEOR-REWPJTCUSA-N 1 0 378.472 3.736 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000183139795 866268048 /nfs/dbraw/zinc/26/80/48/866268048.db2.gz PBXHRVYZKCGPRJ-IRXDYDNUSA-N 1 0 379.508 3.563 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1 ZINC000303776472 866331456 /nfs/dbraw/zinc/33/14/56/866331456.db2.gz HUUNBVMNPLZZTA-JXFKEZNVSA-N 1 0 384.524 3.902 20 30 GHEDRO COc1ccc(C[N@H+](CCc2ccccn2)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000475577927 866390007 /nfs/dbraw/zinc/39/00/07/866390007.db2.gz JPZZPHJXBNYIOD-UHFFFAOYSA-N 1 0 397.482 3.854 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000534312900 866542094 /nfs/dbraw/zinc/54/20/94/866542094.db2.gz PIUZRRXMXFLPEI-XZOQPEGZSA-N 1 0 386.499 3.802 20 30 GHEDRO Cc1cccc(COc2cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)c1 ZINC000499332735 881988641 /nfs/dbraw/zinc/98/86/41/881988641.db2.gz ZOKMCSAJEREDFQ-UHFFFAOYSA-N 1 0 379.504 3.882 20 30 GHEDRO CSC1(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000262548435 866648496 /nfs/dbraw/zinc/64/84/96/866648496.db2.gz WPZTXBAIUYXDMZ-NSHDSACASA-N 1 0 376.353 3.871 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000741668251 866686003 /nfs/dbraw/zinc/68/60/03/866686003.db2.gz KTWHQLILXDFQCB-OAQYLSRUSA-N 1 0 382.891 3.919 20 30 GHEDRO COC(=O)c1cccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000534468578 866847982 /nfs/dbraw/zinc/84/79/82/866847982.db2.gz DGDASAKLDSBDDC-NQIIRXRSSA-N 1 0 391.515 3.830 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cc(OC)c1 ZINC000121482150 867010505 /nfs/dbraw/zinc/01/05/05/867010505.db2.gz ZLIHODUMBCZJOQ-UHFFFAOYSA-N 1 0 381.476 3.661 20 30 GHEDRO C[NH+]=C(NCc1ccc(Br)s1)NCc1ncc(C(C)(C)C)o1 ZINC000262558644 867070560 /nfs/dbraw/zinc/07/05/60/867070560.db2.gz VRXBSQRILGXFDY-UHFFFAOYSA-N 1 0 385.331 3.661 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC(C(C)C)CC2)c1=S ZINC000742170035 867096584 /nfs/dbraw/zinc/09/65/84/867096584.db2.gz WOZDDZHDPMRMAQ-UHFFFAOYSA-N 1 0 391.629 3.954 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1OC ZINC000153829564 867101550 /nfs/dbraw/zinc/10/15/50/867101550.db2.gz NZKRLTCMRVEVNH-PXNSSMCTSA-N 1 0 384.520 3.521 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H]3CCCC[C@@H]32)c1=S ZINC000842617305 882053264 /nfs/dbraw/zinc/05/32/64/882053264.db2.gz OZHZHJNVUCASPP-OALUTQOASA-N 1 0 389.613 3.850 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(CC#N)cc2)[NH+]2CCCCC2)cc1 ZINC000534649490 867190109 /nfs/dbraw/zinc/19/01/09/867190109.db2.gz CHGNHIGTLCAIFQ-QFIPXVFZSA-N 1 0 377.488 3.718 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508507846 867191733 /nfs/dbraw/zinc/19/17/33/867191733.db2.gz VAGAKFFXNJIXOP-FQEVSTJZSA-N 1 0 395.551 3.664 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1C#N ZINC000523398382 867251229 /nfs/dbraw/zinc/25/12/29/867251229.db2.gz OLTACSQMGBMJCV-MRXNPFEDSA-N 1 0 384.549 3.643 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508509014 867262903 /nfs/dbraw/zinc/26/29/03/867262903.db2.gz YTHZJXSKAQFFTE-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000553395649 867316382 /nfs/dbraw/zinc/31/63/82/867316382.db2.gz MNAOGUCPXCGNRE-QFIPXVFZSA-N 1 0 379.504 3.888 20 30 GHEDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c2)C1 ZINC000857166906 882074383 /nfs/dbraw/zinc/07/43/83/882074383.db2.gz OGQRBIXFSGFECJ-DHIUTWEWSA-N 1 0 389.499 3.581 20 30 GHEDRO CCCN(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479214337 867366193 /nfs/dbraw/zinc/36/61/93/867366193.db2.gz JZTZPTIUVJPGLJ-UHFFFAOYSA-N 1 0 390.531 3.821 20 30 GHEDRO N#CC1(NC(=O)Cc2ccc3c(c2)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000479243554 867399859 /nfs/dbraw/zinc/39/98/59/867399859.db2.gz LYJIDRKWDWUDEQ-UHFFFAOYSA-N 1 0 387.527 3.782 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742624683 867439109 /nfs/dbraw/zinc/43/91/09/867439109.db2.gz LCYMTBSYXAZCMK-LJQANCHMSA-N 1 0 393.572 3.523 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000440608766 867512056 /nfs/dbraw/zinc/51/20/56/867512056.db2.gz BHKNMOZMETZMTD-INIZCTEOSA-N 1 0 378.394 3.526 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)CC1 ZINC000742805739 867589692 /nfs/dbraw/zinc/58/96/92/867589692.db2.gz BVUJLTXJDJEKSC-UHFFFAOYSA-N 1 0 379.529 3.891 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000479352235 867596032 /nfs/dbraw/zinc/59/60/32/867596032.db2.gz XTLZUIZJSCKKJY-UHFFFAOYSA-N 1 0 377.529 3.514 20 30 GHEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000523600735 867631397 /nfs/dbraw/zinc/63/13/97/867631397.db2.gz CKFGNHITUTYJTF-IGBVOLGGSA-N 1 0 398.551 3.668 20 30 GHEDRO C=CCCCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457113707 867717652 /nfs/dbraw/zinc/71/76/52/867717652.db2.gz KFFRVYMXTLXJGU-UHFFFAOYSA-N 1 0 375.944 3.809 20 30 GHEDRO C[N@H+](CCOCC1CC1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000088599125 867903185 /nfs/dbraw/zinc/90/31/85/867903185.db2.gz SPJPSFUMQFQQMW-UHFFFAOYSA-N 1 0 375.538 3.576 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCOC2)O1 ZINC000475623624 867943059 /nfs/dbraw/zinc/94/30/59/867943059.db2.gz RIXKVCOXLODRRE-ISKFKSNPSA-N 1 0 392.499 3.907 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000041815890 868155327 /nfs/dbraw/zinc/15/53/27/868155327.db2.gz RPNMPVVQNQAMRC-KRWDZBQOSA-N 1 0 392.528 3.557 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)C1 ZINC000553796357 868202642 /nfs/dbraw/zinc/20/26/42/868202642.db2.gz NTHLYIMNGNOGEF-QFIPXVFZSA-N 1 0 377.513 3.877 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000479616258 868224703 /nfs/dbraw/zinc/22/47/03/868224703.db2.gz JXYWHZXGIZCUKD-UXHICEINSA-N 1 0 381.472 3.721 20 30 GHEDRO C#CCCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000743692535 868364674 /nfs/dbraw/zinc/36/46/74/868364674.db2.gz HBLCRVHHJYOIME-SJLPKXTDSA-N 1 0 381.442 3.801 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000743813566 868427750 /nfs/dbraw/zinc/42/77/50/868427750.db2.gz ASISZQRKHQGLCQ-GOSISDBHSA-N 1 0 397.548 3.801 20 30 GHEDRO C[C@H](Cc1ccc(Cl)cc1)N(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156769644 868458709 /nfs/dbraw/zinc/45/87/09/868458709.db2.gz RGARSGWXZUUGMI-OAHLLOKOSA-N 1 0 376.909 3.548 20 30 GHEDRO C[N@H+](CCCc1ccccc1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000535324715 868551801 /nfs/dbraw/zinc/55/18/01/868551801.db2.gz GIVZAZXXYSKSBP-UHFFFAOYSA-N 1 0 388.433 3.738 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000157150952 868572870 /nfs/dbraw/zinc/57/28/70/868572870.db2.gz MYAHXHYMASTWLQ-NRFANRHFSA-N 1 0 382.552 3.500 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)N2CCCCC2)cc1 ZINC000440804689 868645789 /nfs/dbraw/zinc/64/57/89/868645789.db2.gz FAQPCZOZGCUCBX-JOCHJYFZSA-N 1 0 379.504 3.892 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157476002 868664359 /nfs/dbraw/zinc/66/43/59/868664359.db2.gz PAOJONUPIXJQKM-NRFANRHFSA-N 1 0 382.552 3.500 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H]1OC ZINC000479896355 868698351 /nfs/dbraw/zinc/69/83/51/868698351.db2.gz BNRRAGJQWUVJCB-IPELMVKDSA-N 1 0 375.488 3.644 20 30 GHEDRO CC(C)[NH+]1CCC(Oc2cc(F)c(C#N)cc2I)CC1 ZINC001234390052 882221756 /nfs/dbraw/zinc/22/17/56/882221756.db2.gz AJTNDQYMLAGDCU-UHFFFAOYSA-N 1 0 388.224 3.554 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)C(C)C ZINC000457754671 868745370 /nfs/dbraw/zinc/74/53/70/868745370.db2.gz RLUDTPKFUUDWAR-HKBOAZHASA-N 1 0 389.584 3.676 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccccc3SCC#N)cc2)CC1 ZINC000793488965 882223384 /nfs/dbraw/zinc/22/33/84/882223384.db2.gz URPUWVRGWZBOFG-UHFFFAOYSA-N 1 0 395.528 3.705 20 30 GHEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000744411319 868820903 /nfs/dbraw/zinc/82/09/03/868820903.db2.gz LQHVNXDVEGEADG-UGKGYDQZSA-N 1 0 386.499 3.997 20 30 GHEDRO CC(C)N(C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000744446255 868846137 /nfs/dbraw/zinc/84/61/37/868846137.db2.gz VIXMBRKRESBJON-UHFFFAOYSA-N 1 0 394.519 3.755 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669815901 868897328 /nfs/dbraw/zinc/89/73/28/868897328.db2.gz IZYXXQMQKOHXDP-FQEVSTJZSA-N 1 0 391.519 3.553 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000669816000 868901388 /nfs/dbraw/zinc/90/13/88/868901388.db2.gz IVFAKZFUBMYLMD-UNMCSNQZSA-N 1 0 391.563 3.702 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Oc1cccc(Br)c1 ZINC000539512423 869254411 /nfs/dbraw/zinc/25/44/11/869254411.db2.gz NRMRYPDPAMTMNS-ZDUSSCGKSA-N 1 0 385.265 3.526 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000539509981 869273339 /nfs/dbraw/zinc/27/33/39/869273339.db2.gz MDBIRCYJBYYSMA-FZKQIMNGSA-N 1 0 389.377 3.913 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000121925882 882318644 /nfs/dbraw/zinc/31/86/44/882318644.db2.gz OJDZZDYVDJQHPW-UHFFFAOYSA-N 1 0 388.256 3.889 20 30 GHEDRO CC(C)c1nc(C#N)c(N=NCc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000745613361 869700185 /nfs/dbraw/zinc/70/01/85/869700185.db2.gz FMXDKNIPBCUBLF-UHFFFAOYSA-N 1 0 380.496 3.646 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000745819823 869845020 /nfs/dbraw/zinc/84/50/20/869845020.db2.gz DZHUFBHRSGBZJY-HSALFYBXSA-N 1 0 384.524 3.524 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1OC ZINC000746014083 869945778 /nfs/dbraw/zinc/94/57/78/869945778.db2.gz QCEYEHBCNXMXJP-LUAWRHEFSA-N 1 0 384.520 3.750 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1C#N ZINC000441073826 870162221 /nfs/dbraw/zinc/16/22/21/870162221.db2.gz WPLMVCRQYZBIGS-IBGZPJMESA-N 1 0 388.556 3.759 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000525273586 870248838 /nfs/dbraw/zinc/24/88/38/870248838.db2.gz SAVJPTUTTFKSSY-INIZCTEOSA-N 1 0 385.405 3.710 20 30 GHEDRO C=CCOc1c(Br)cc(CNCC[N@@H+]2CC[C@H](C)C2)cc1OCC ZINC000525288116 870291913 /nfs/dbraw/zinc/29/19/13/870291913.db2.gz FZYGTLONHPGXMA-HNNXBMFYSA-N 1 0 397.357 3.844 20 30 GHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508863895 870304999 /nfs/dbraw/zinc/30/49/99/870304999.db2.gz LXIMKJUVRAJWAG-FXAWDEMLSA-N 1 0 381.524 3.794 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000475706861 882400171 /nfs/dbraw/zinc/40/01/71/882400171.db2.gz AQGJLQIFOKGQLE-UHFFFAOYSA-N 1 0 377.366 3.920 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1Cl ZINC000181223187 870401517 /nfs/dbraw/zinc/40/15/17/870401517.db2.gz WEVKDBJKCFBUSD-QRWLVFNGSA-N 1 0 383.879 3.908 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cc(Cl)ccc1OC(F)F ZINC001192625439 870573370 /nfs/dbraw/zinc/57/33/70/870573370.db2.gz COPMPQKKALTFHF-GXTWGEPZSA-N 1 0 388.842 3.663 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000181253485 870575558 /nfs/dbraw/zinc/57/55/58/870575558.db2.gz DTFIKBXWQBBQJU-KRWDZBQOSA-N 1 0 378.398 3.718 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000525410490 870647818 /nfs/dbraw/zinc/64/78/18/870647818.db2.gz JBNGCAQNQDPSHT-IBGZPJMESA-N 1 0 379.504 3.542 20 30 GHEDRO COc1cccc([C@H](C)NC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001192908356 870763124 /nfs/dbraw/zinc/76/31/24/870763124.db2.gz AQIPGZKAPITBSH-SFHVURJKSA-N 1 0 392.503 3.614 20 30 GHEDRO C=CCn1c(SCCCN2CC[NH+](C)CC2)nnc1-c1ccc(Cl)cc1 ZINC000181308963 870789435 /nfs/dbraw/zinc/78/94/35/870789435.db2.gz YCBQDLJKNABOGF-UHFFFAOYSA-N 1 0 391.972 3.514 20 30 GHEDRO C[N@H+](CCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CC1 ZINC000667158748 870792670 /nfs/dbraw/zinc/79/26/70/870792670.db2.gz HWZPJHUHADBKMD-UHFFFAOYSA-N 1 0 386.311 3.800 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001192937896 870798605 /nfs/dbraw/zinc/79/86/05/870798605.db2.gz GJAMPKZDQAVOGF-IBGZPJMESA-N 1 0 390.572 3.671 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000525505429 870805946 /nfs/dbraw/zinc/80/59/46/870805946.db2.gz NZCCTRMFISSENT-FOIQADDNSA-N 1 0 398.894 3.623 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000092965321 882458861 /nfs/dbraw/zinc/45/88/61/882458861.db2.gz LKDJIJDFNPWUQB-INIZCTEOSA-N 1 0 381.451 3.967 20 30 GHEDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CN1C(=O)OC(C)(C)C ZINC001168874989 870957853 /nfs/dbraw/zinc/95/78/53/870957853.db2.gz XDTWXZACRUZGOQ-NEWSRXKRSA-N 1 0 385.508 3.799 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000181428022 871002118 /nfs/dbraw/zinc/00/21/18/871002118.db2.gz ZGTVVVXSOVKSOI-WMZOPIPTSA-N 1 0 386.536 3.815 20 30 GHEDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001193294134 871009922 /nfs/dbraw/zinc/00/99/22/871009922.db2.gz YIFQQFGYIMIMPQ-HNNXBMFYSA-N 1 0 375.432 3.989 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000540365152 871122713 /nfs/dbraw/zinc/12/27/13/871122713.db2.gz DTSLMSKRYGLXNN-FXAWDEMLSA-N 1 0 383.467 3.544 20 30 GHEDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000443343725 871275117 /nfs/dbraw/zinc/27/51/17/871275117.db2.gz HFIGEMRRAFYDOE-RVKKMQEKSA-N 1 0 389.565 3.699 20 30 GHEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000540434388 871301777 /nfs/dbraw/zinc/30/17/77/871301777.db2.gz KCQSQDYQIZQKNO-OAQYLSRUSA-N 1 0 379.504 3.950 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c(F)c(F)c(C#N)c(F)c1F ZINC001169179292 871303391 /nfs/dbraw/zinc/30/33/91/871303391.db2.gz INTOIJBBOUMRQB-UHFFFAOYSA-N 1 0 377.341 3.877 20 30 GHEDRO N#CC1(c2cccnc2N[C@H]2CCC[C@@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001169247430 871345597 /nfs/dbraw/zinc/34/55/97/871345597.db2.gz RXPPSAOENFMGNN-LEWJYISDSA-N 1 0 390.531 3.854 20 30 GHEDRO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccccc1 ZINC000181700718 871402350 /nfs/dbraw/zinc/40/23/50/871402350.db2.gz PJYJNVKCPDUWOR-HXUWFJFHSA-N 1 0 385.895 3.872 20 30 GHEDRO N#Cc1c(F)ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1N ZINC001169330023 871412970 /nfs/dbraw/zinc/41/29/70/871412970.db2.gz RVGSDILOBYIAQG-KRWDZBQOSA-N 1 0 378.451 3.520 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000069716436 871419162 /nfs/dbraw/zinc/41/91/62/871419162.db2.gz VQTIPGVSIPUURS-UHFFFAOYSA-N 1 0 380.561 3.879 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1c(C)nn(C)c1C ZINC000544417564 871493203 /nfs/dbraw/zinc/49/32/03/871493203.db2.gz WCYMMNLQIUFBQQ-SFHVURJKSA-N 1 0 387.915 3.678 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnc(-c3ccccn3)s2)CC1 ZINC000525833296 871517801 /nfs/dbraw/zinc/51/78/01/871517801.db2.gz YISDHMWNZMNNHL-UHFFFAOYSA-N 1 0 391.500 3.952 20 30 GHEDRO COc1cc(C#N)ccc1CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000766742044 871605255 /nfs/dbraw/zinc/60/52/55/871605255.db2.gz PYTPZNINGMRHGZ-UHFFFAOYSA-N 1 0 378.476 3.600 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)Cc2ccccc2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000776984499 882529944 /nfs/dbraw/zinc/52/99/44/882529944.db2.gz TVIDIDSOCDRSLY-FPOVZHCZSA-N 1 0 375.516 3.712 20 30 GHEDRO N#CC1(c2ccc(-n3cc(CC[NH3+])c4ccc(OC(F)(F)F)cc43)nc2)CC1 ZINC001169607444 871669623 /nfs/dbraw/zinc/66/96/23/871669623.db2.gz SGCZHYDUFSHINV-UHFFFAOYSA-N 1 0 386.377 3.980 20 30 GHEDRO CN(C(=O)C[N@H+](C)CCc1cccc(Br)c1)C1(C#N)CCCCC1 ZINC000463418038 871677297 /nfs/dbraw/zinc/67/72/97/871677297.db2.gz PTICUDFMGCAUAF-UHFFFAOYSA-N 1 0 392.341 3.608 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(N2CCCc3ccc(C[NH3+])nc32)n1 ZINC001169585028 871678536 /nfs/dbraw/zinc/67/85/36/871678536.db2.gz XXQWCGNIFQEVRV-UHFFFAOYSA-N 1 0 379.508 3.733 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)CCc1cccc(Br)c1 ZINC000463430291 871722578 /nfs/dbraw/zinc/72/25/78/871722578.db2.gz UQMDEYQVUPXXRH-UHFFFAOYSA-N 1 0 386.293 3.824 20 30 GHEDRO CCc1cc(NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2F)cc(CC)c1C#N ZINC001194538965 871777289 /nfs/dbraw/zinc/77/72/89/871777289.db2.gz YRWMAAWBAQGCDE-UHFFFAOYSA-N 1 0 394.494 3.826 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)cc1)C(=S)NC[C@@H]1CCCO1 ZINC000022691168 871909966 /nfs/dbraw/zinc/90/99/66/871909966.db2.gz QAJFLOINRUFLJX-IBGZPJMESA-O 1 0 383.537 3.552 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000618797798 872007409 /nfs/dbraw/zinc/00/74/09/872007409.db2.gz XTFPDYDNQMBGQI-JTHBVZDNSA-N 1 0 390.531 3.798 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000618808107 872014565 /nfs/dbraw/zinc/01/45/65/872014565.db2.gz IZXXINWNMIYTHW-JOCHJYFZSA-N 1 0 392.478 3.648 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618807832 872014844 /nfs/dbraw/zinc/01/48/44/872014844.db2.gz XOXUADDRWMVMGA-IFXJQAMLSA-N 1 0 379.460 3.570 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000618808866 872017947 /nfs/dbraw/zinc/01/79/47/872017947.db2.gz YTKFZEJPNKFYSY-REWPJTCUSA-N 1 0 388.515 3.757 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000618819738 872026416 /nfs/dbraw/zinc/02/64/16/872026416.db2.gz LMAUWCWLAGNVIQ-VQTJNVASSA-N 1 0 382.895 3.801 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2C[C@H](OCC)C23CCC3)cc1 ZINC000477867815 872047112 /nfs/dbraw/zinc/04/71/12/872047112.db2.gz UKKRKYHIEHRKJT-SFTDATJTSA-N 1 0 399.535 3.611 20 30 GHEDRO CN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000618840863 872052095 /nfs/dbraw/zinc/05/20/95/872052095.db2.gz MGXGIRUOAWOISR-JTHBVZDNSA-N 1 0 388.515 3.852 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618848442 872070100 /nfs/dbraw/zinc/07/01/00/872070100.db2.gz WQQDBFUKXBGZIH-GOSISDBHSA-N 1 0 396.457 3.851 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NCC(F)(F)F)c1 ZINC000101535093 872072021 /nfs/dbraw/zinc/07/20/21/872072021.db2.gz KOINCUBSUFJEIH-UHFFFAOYSA-O 1 0 389.369 3.651 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000447676411 872081705 /nfs/dbraw/zinc/08/17/05/872081705.db2.gz QTCXFWDHHVTSCC-JPYJTQIMSA-N 1 0 391.563 3.692 20 30 GHEDRO COC(=O)CCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093341429 872102266 /nfs/dbraw/zinc/10/22/66/872102266.db2.gz ORLNNKTZZDWOOZ-UHFFFAOYSA-N 1 0 380.492 3.629 20 30 GHEDRO COc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1OCCCC#N ZINC000093388089 872138479 /nfs/dbraw/zinc/13/84/79/872138479.db2.gz RWYZIQONDFWMPQ-OAQYLSRUSA-N 1 0 380.488 3.860 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000767018103 872175306 /nfs/dbraw/zinc/17/53/06/872175306.db2.gz MHHUETNLCMMIBU-FFZOFVMBSA-N 1 0 392.503 3.749 20 30 GHEDRO C=CCCOc1ccc(C(=O)n2cc(N)c(=[NH2+])c(-c3cccc(F)c3)c2)cc1 ZINC001195123863 872186854 /nfs/dbraw/zinc/18/68/54/872186854.db2.gz BHXZIECONHSVEB-UHFFFAOYSA-N 1 0 377.419 3.999 20 30 GHEDRO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001195155758 872221410 /nfs/dbraw/zinc/22/14/10/872221410.db2.gz QLPJAMXIXXVDQH-NFBKMPQASA-N 1 0 386.495 3.944 20 30 GHEDRO N#Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000463650252 872259502 /nfs/dbraw/zinc/25/95/02/872259502.db2.gz QSCWQOQAAGBZAQ-QFIPXVFZSA-N 1 0 376.460 3.959 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000093644426 872314779 /nfs/dbraw/zinc/31/47/79/872314779.db2.gz KKBSBYCHCFADMF-HOCLYGCPSA-N 1 0 397.357 3.937 20 30 GHEDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000478020800 872330592 /nfs/dbraw/zinc/33/05/92/872330592.db2.gz VSOMMRBLDDJYKT-UHFFFAOYSA-N 1 0 396.434 3.876 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001195420053 872407901 /nfs/dbraw/zinc/40/79/01/872407901.db2.gz HLQSNEPJBXDPII-PMOQBDJRSA-N 1 0 388.515 3.634 20 30 GHEDRO Cc1ccc(NC(=S)Nc2ccccc2C#N)cc1NC(=O)CC[NH+](C)C ZINC000767409462 872472397 /nfs/dbraw/zinc/47/23/97/872472397.db2.gz DMWOARFZFJHKGE-UHFFFAOYSA-N 1 0 381.505 3.566 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000767425748 872511602 /nfs/dbraw/zinc/51/16/02/872511602.db2.gz MORGQCJMZDEFHY-FZKQIMNGSA-N 1 0 375.266 3.563 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000463762353 872519564 /nfs/dbraw/zinc/51/95/64/872519564.db2.gz AYDUOBACNABGGT-IBGZPJMESA-N 1 0 386.536 3.844 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000921149497 882633444 /nfs/dbraw/zinc/63/34/44/882633444.db2.gz ZNBZCGLVLLRUEA-INIZCTEOSA-N 1 0 379.932 3.792 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1nc2ccccc2cc1Cl ZINC000463813458 872641326 /nfs/dbraw/zinc/64/13/26/872641326.db2.gz AIEWLQTUYRMDMN-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO CCNC(=O)c1ccc(C)c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182796021 872795488 /nfs/dbraw/zinc/79/54/88/872795488.db2.gz DQQJKGUXDYFNFI-UHFFFAOYSA-N 1 0 376.504 3.693 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(SCC#N)c3)CC2)cc1 ZINC000175995316 882655233 /nfs/dbraw/zinc/65/52/33/882655233.db2.gz GYYXJPPLRCIXPS-UHFFFAOYSA-N 1 0 395.528 3.659 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541075320 872861015 /nfs/dbraw/zinc/86/10/15/872861015.db2.gz RTXMBDUOSLDZQA-HXOBKFHXSA-N 1 0 399.498 3.805 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC(=O)N2CCCc3ccccc32)ccc1OC ZINC000060949851 882660226 /nfs/dbraw/zinc/66/02/26/882660226.db2.gz OYOGQDYXHYHKFK-UHFFFAOYSA-N 1 0 380.488 3.719 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1OC(F)(F)F ZINC000619666492 872878431 /nfs/dbraw/zinc/87/84/31/872878431.db2.gz GNHNHPNXNGVTAE-OAHLLOKOSA-N 1 0 382.386 3.549 20 30 GHEDRO Cc1ccc2nc(-c3cccs3)cc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2c1 ZINC001127703048 872908232 /nfs/dbraw/zinc/90/82/32/872908232.db2.gz RJFYKCDZZXAQJC-UHFFFAOYSA-N 1 0 390.512 3.990 20 30 GHEDRO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)C2 ZINC001196159125 872919382 /nfs/dbraw/zinc/91/93/82/872919382.db2.gz XSZBEUUQQIUFNW-AUSIDOKSSA-N 1 0 391.540 3.874 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001196159193 872919461 /nfs/dbraw/zinc/91/94/61/872919461.db2.gz MVLOQSBHONRMMM-GCJKJVERSA-N 1 0 384.545 3.635 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2ccc(-c3csc(C)n3)cc2)CC1 ZINC000552657895 872963927 /nfs/dbraw/zinc/96/39/27/872963927.db2.gz KIWSBIVTPBQNBX-UHFFFAOYSA-N 1 0 384.549 3.611 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000619756964 872969369 /nfs/dbraw/zinc/96/93/69/872969369.db2.gz FRIUJQHBFUNAPS-LJQANCHMSA-N 1 0 396.922 3.923 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000527297592 872974097 /nfs/dbraw/zinc/97/40/97/872974097.db2.gz OWSJVOUYXGQDNM-AWEZNQCLSA-N 1 0 379.426 3.836 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CO)c2ccccc2)sc2c1CCCCC2 ZINC000182925097 872974188 /nfs/dbraw/zinc/97/41/88/872974188.db2.gz NZJREYQTSNHZIF-GOSISDBHSA-N 1 0 383.517 3.540 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000191933238 882672360 /nfs/dbraw/zinc/67/23/60/882672360.db2.gz ZLSUGACOXRQQBZ-UHFFFAOYSA-N 1 0 383.536 3.564 20 30 GHEDRO Cc1ccc(CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C(C)C)s1 ZINC000102391251 872992599 /nfs/dbraw/zinc/99/25/99/872992599.db2.gz RVHREQABQMDLDS-UHFFFAOYSA-N 1 0 396.516 3.561 20 30 GHEDRO Cc1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)c(OCC[NH+](C)C)c1 ZINC000619788905 873029788 /nfs/dbraw/zinc/02/97/88/873029788.db2.gz WGJLBARTWUYVLQ-UHFFFAOYSA-N 1 0 386.883 3.782 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000619822897 873056024 /nfs/dbraw/zinc/05/60/24/873056024.db2.gz AODAGRCBMVJVHJ-UXHICEINSA-N 1 0 382.895 3.801 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 ZINC000619810579 873065533 /nfs/dbraw/zinc/06/55/33/873065533.db2.gz REWMHDGGGMRLRV-FQEVSTJZSA-N 1 0 384.911 3.876 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cnn1-c1ccc(F)cc1 ZINC000182994716 873071900 /nfs/dbraw/zinc/07/19/00/873071900.db2.gz RYJUMSQFOVNZED-JKSUJKDBSA-N 1 0 397.498 3.702 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CC(C)(C)N(O)C(C)(C)C3)C2)C1 ZINC001169991527 873252954 /nfs/dbraw/zinc/25/29/54/873252954.db2.gz DIFSKMHMPVPBEA-OAQYLSRUSA-N 1 0 379.545 3.508 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000768499437 873339884 /nfs/dbraw/zinc/33/98/84/873339884.db2.gz AIHOEWYPXBUWEU-WOJBJXKFSA-N 1 0 397.592 3.949 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)c(C#N)n2)[C@@H]1c1cccs1 ZINC000443516144 873380369 /nfs/dbraw/zinc/38/03/69/873380369.db2.gz DOIPDESAERFLNG-SJKOYZFVSA-N 1 0 380.439 3.950 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527656245 873450623 /nfs/dbraw/zinc/45/06/23/873450623.db2.gz FSCYPXPSDRDKGO-UHFFFAOYSA-N 1 0 381.343 3.641 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000541443387 873587951 /nfs/dbraw/zinc/58/79/51/873587951.db2.gz UPPQHFYUSNFJJF-QZTJIDSGSA-N 1 0 382.552 3.989 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609130149 873591886 /nfs/dbraw/zinc/59/18/86/873591886.db2.gz IASBYOVORUWEMF-JTHBVZDNSA-N 1 0 394.563 3.642 20 30 GHEDRO C[N@H+](CCCNC(=O)c1cccc(C#N)c1Br)C1CCCCC1 ZINC000448651641 873726784 /nfs/dbraw/zinc/72/67/84/873726784.db2.gz XEBGGQTWUSDPJM-UHFFFAOYSA-N 1 0 378.314 3.705 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000464398043 873783978 /nfs/dbraw/zinc/78/39/78/873783978.db2.gz VMUUATMOLGLKQQ-XMSQKQJNSA-N 1 0 394.515 3.900 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)C1CCCCC1 ZINC000448699417 873794939 /nfs/dbraw/zinc/79/49/39/873794939.db2.gz TYGXLQMCJVNYJX-INIZCTEOSA-N 1 0 378.314 3.561 20 30 GHEDRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCSCc1ccccc1C#N ZINC000541541711 873800019 /nfs/dbraw/zinc/80/00/19/873800019.db2.gz GPAHGBDRWXUDAX-QHCPKHFHSA-N 1 0 395.572 3.763 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(C#N)cc2OC(F)(F)F)nn1-c1cc[nH+]cc1 ZINC001197535146 873863038 /nfs/dbraw/zinc/86/30/38/873863038.db2.gz RDADCZJLJCPHEV-UHFFFAOYSA-N 1 0 387.321 3.598 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000528032547 873897469 /nfs/dbraw/zinc/89/74/69/873897469.db2.gz CAXKCJYTYWRDNY-KSEOMHKRSA-N 1 0 393.918 3.688 20 30 GHEDRO COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000769329936 873968744 /nfs/dbraw/zinc/96/87/44/873968744.db2.gz VLKNJXOKUQGUKV-HXUWFJFHSA-N 1 0 392.547 3.924 20 30 GHEDRO COc1ccc(C[NH+]2CCC(N(C)CC(F)F)CC2)cc1OCCCC#N ZINC000769510004 874116669 /nfs/dbraw/zinc/11/66/69/874116669.db2.gz MQIYXPMFNHTJFP-UHFFFAOYSA-N 1 0 381.467 3.539 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)C1CCCC1 ZINC000769531516 874138474 /nfs/dbraw/zinc/13/84/74/874138474.db2.gz SYZGVEJNKKPMKC-UHFFFAOYSA-N 1 0 398.547 3.854 20 30 GHEDRO C#CC[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCCc2ccccc21 ZINC001198104239 874232172 /nfs/dbraw/zinc/23/21/72/874232172.db2.gz NIBKDXBJPRBCNW-HXUWFJFHSA-N 1 0 377.875 3.861 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](CCN2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001198219269 874278392 /nfs/dbraw/zinc/27/83/92/874278392.db2.gz NYGZELTVSQOQTF-AZUAARDMSA-N 1 0 385.508 3.579 20 30 GHEDRO N#Cc1ccc(NC(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)cc1Cl ZINC000443604074 874298060 /nfs/dbraw/zinc/29/80/60/874298060.db2.gz SBBWZLWESPRDJC-UHFFFAOYSA-N 1 0 388.943 3.738 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833468 874302662 /nfs/dbraw/zinc/30/26/62/874302662.db2.gz JPCWOWCKAVIPLZ-IBGZPJMESA-N 1 0 378.520 3.967 20 30 GHEDRO C=CC[C@H]1[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1(C)C ZINC000769954053 874363808 /nfs/dbraw/zinc/36/38/08/874363808.db2.gz QWHQPGNWCFHGHY-OAQYLSRUSA-N 1 0 385.552 3.919 20 30 GHEDRO CC(C)[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](O)COc1ccccc1 ZINC000770044754 874421906 /nfs/dbraw/zinc/42/19/06/874421906.db2.gz SWGFLMGSSGXWAU-LJQANCHMSA-N 1 0 388.895 3.893 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3CCOC34CCCC4)sc2C1 ZINC001198507218 874470144 /nfs/dbraw/zinc/47/01/44/874470144.db2.gz IIOZSAQLSHMDHO-RDTXWAMCSA-N 1 0 387.549 3.764 20 30 GHEDRO CCCCN1C(=O)C2(CCCCC2)NC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000463024647 874525266 /nfs/dbraw/zinc/52/52/66/874525266.db2.gz LSADZSPTIRXUFM-UHFFFAOYSA-N 1 0 394.563 3.785 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000528405384 874527712 /nfs/dbraw/zinc/52/77/12/874527712.db2.gz FRCZNQZJVXKIAL-LJQANCHMSA-N 1 0 391.446 3.708 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001198769634 874622219 /nfs/dbraw/zinc/62/22/19/874622219.db2.gz NCVQCRDHDRGOCN-UHFFFAOYSA-N 1 0 399.535 3.575 20 30 GHEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192241479 882862393 /nfs/dbraw/zinc/86/23/93/882862393.db2.gz XQUKQZJKKQCPIP-LJQANCHMSA-N 1 0 387.405 3.776 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542091200 874932242 /nfs/dbraw/zinc/93/22/42/874932242.db2.gz SOUZZOLXVLFFKK-WZONZLPQSA-N 1 0 386.499 3.942 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000449521220 874993421 /nfs/dbraw/zinc/99/34/21/874993421.db2.gz RFQSGGNXVVAZOY-OLZOCXBDSA-N 1 0 391.103 3.653 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000858152913 882890711 /nfs/dbraw/zinc/89/07/11/882890711.db2.gz DLLCYKHDTPNQDC-NRFANRHFSA-N 1 0 391.515 3.798 20 30 GHEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)NCCc1ccccc1 ZINC000449578965 875072212 /nfs/dbraw/zinc/07/22/12/875072212.db2.gz UYISTQSNEPOICD-HRRASNIPSA-N 1 0 375.516 3.728 20 30 GHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000429496679 875199637 /nfs/dbraw/zinc/19/96/37/875199637.db2.gz NDFLOVIEDGILGJ-NHCUHLMSSA-N 1 0 394.519 3.511 20 30 GHEDRO N#CC(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)c1ccccn1 ZINC000528920276 875272096 /nfs/dbraw/zinc/27/20/96/875272096.db2.gz NKBSLQRZQLQBPR-GUDVDZBRSA-N 1 0 388.496 3.630 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000771464749 875296503 /nfs/dbraw/zinc/29/65/03/875296503.db2.gz RHRQCZDMMUDJSI-HXUWFJFHSA-N 1 0 390.531 3.980 20 30 GHEDRO CN(C)c1cc(F)c(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1F ZINC000858185931 882918880 /nfs/dbraw/zinc/91/88/80/882918880.db2.gz KIEPGNULJWUWMI-UHFFFAOYSA-N 1 0 384.474 3.657 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000528980421 875371954 /nfs/dbraw/zinc/37/19/54/875371954.db2.gz YTPSARNLYITUSC-VXKWHMMOSA-N 1 0 391.490 3.994 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000858219296 882950994 /nfs/dbraw/zinc/95/09/94/882950994.db2.gz HHSVVNQKHCDHHY-UXHICEINSA-N 1 0 384.524 3.574 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000529205062 875821219 /nfs/dbraw/zinc/82/12/19/875821219.db2.gz BIVRTNJYUFLEDP-XMSQKQJNSA-N 1 0 392.503 3.909 20 30 GHEDRO CCCCCCCCCC[N@H+]1Cc2ccnn2C[C@H](COCC(=O)N(C)C)C1 ZINC001201852697 875887814 /nfs/dbraw/zinc/88/78/14/875887814.db2.gz HKPPAQILJYAOJD-HXUWFJFHSA-N 1 0 392.588 3.560 20 30 GHEDRO CCCCCCCC[N@@H+]1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001201826491 875892701 /nfs/dbraw/zinc/89/27/01/875892701.db2.gz XXMSPPJJRGBDRT-QFIPXVFZSA-N 1 0 386.540 3.669 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cc(F)ccc2OC(F)F)c(-c2ccc(C#N)cc2)n1 ZINC001201954067 875952678 /nfs/dbraw/zinc/95/26/78/875952678.db2.gz FYBPVKXEUVEQGD-UHFFFAOYSA-N 1 0 386.377 3.989 20 30 GHEDRO COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC001201963792 875956213 /nfs/dbraw/zinc/95/62/13/875956213.db2.gz WEPKTPZXMYNXKS-SIKLNZKXSA-N 1 0 389.499 3.599 20 30 GHEDRO CCOc1ccc(CN(C)C(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000054340492 875968126 /nfs/dbraw/zinc/96/81/26/875968126.db2.gz WKAGIAOEZGMVEJ-GOSISDBHSA-N 1 0 379.504 3.998 20 30 GHEDRO CNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001201989795 875972165 /nfs/dbraw/zinc/97/21/65/875972165.db2.gz TXRPOPOWKUDVCR-DEOSSOPVSA-N 1 0 399.494 3.584 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 ZINC000858259496 882983927 /nfs/dbraw/zinc/98/39/27/882983927.db2.gz UVPZTOBOZWFYAL-UHFFFAOYSA-N 1 0 388.515 3.761 20 30 GHEDRO Cc1csc(N2CCC([NH2+]C3CCC(Oc4ncccc4C#N)CC3)CC2)n1 ZINC001202074554 876005024 /nfs/dbraw/zinc/00/50/24/876005024.db2.gz OZMGLXNEENVHSW-UHFFFAOYSA-N 1 0 397.548 3.667 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000151895417 876062865 /nfs/dbraw/zinc/06/28/65/876062865.db2.gz MEKWCONZFKZBOY-FUHWJXTLSA-N 1 0 387.867 3.721 20 30 GHEDRO COc1ccc([C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000450212072 876084480 /nfs/dbraw/zinc/08/44/80/876084480.db2.gz BVQCBCWNJGGLAY-LJQANCHMSA-N 1 0 381.436 3.509 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3cccc(C#N)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000450250852 876144673 /nfs/dbraw/zinc/14/46/73/876144673.db2.gz OIJIWHGVUDSGSI-HOTGVXAUSA-N 1 0 380.448 3.688 20 30 GHEDRO N#Cc1cc(Br)cnc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000450286781 876201488 /nfs/dbraw/zinc/20/14/88/876201488.db2.gz IVXAARBJQVHPPS-CYBMUJFWSA-N 1 0 391.338 3.523 20 30 GHEDRO COc1ccc([C@H](CNc2nc3ccccc3cc2C#N)[NH+](C)C)cc1OC ZINC000785718398 876223537 /nfs/dbraw/zinc/22/35/37/876223537.db2.gz KFIULUPNPXZABN-IBGZPJMESA-N 1 0 376.460 3.838 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@](C)(C#N)CCc2ccccc2)cc1 ZINC000776427695 876465757 /nfs/dbraw/zinc/46/57/57/876465757.db2.gz QZJFNBMKMHASIO-WCQSIDKYSA-N 1 0 391.515 3.671 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492272915 876568631 /nfs/dbraw/zinc/56/86/31/876568631.db2.gz RXBMXLDCDWQHIP-VQIMIIECSA-N 1 0 378.476 3.599 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000529720128 876598421 /nfs/dbraw/zinc/59/84/21/876598421.db2.gz QAIOKPJSKPFAQF-FQEVSTJZSA-N 1 0 393.487 3.867 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H](O)c3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000850100099 876664804 /nfs/dbraw/zinc/66/48/04/876664804.db2.gz BUEPXELOMSTWDK-SFHVURJKSA-N 1 0 376.378 3.964 20 30 GHEDRO CN(c1cc(Br)cc(C#N)c1NC(=O)OC(C)(C)C)C(C)(C)C[NH3+] ZINC001170059645 876731078 /nfs/dbraw/zinc/73/10/78/876731078.db2.gz PYQLMAPXRYEILM-UHFFFAOYSA-N 1 0 397.317 3.841 20 30 GHEDRO COc1cc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000450670193 876758052 /nfs/dbraw/zinc/75/80/52/876758052.db2.gz FBNFLAAKFQQTCZ-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO Cn1c(C#N)ccc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000450758011 876876859 /nfs/dbraw/zinc/87/68/59/876876859.db2.gz IVJHOZZGVWHWMC-LJQANCHMSA-N 1 0 386.446 3.520 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)cc1 ZINC000850416347 876897647 /nfs/dbraw/zinc/89/76/47/876897647.db2.gz ICVMAKXQNZPCPC-MBSDFSHPSA-N 1 0 380.488 3.963 20 30 GHEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)cc1 ZINC000850487640 876963617 /nfs/dbraw/zinc/96/36/17/876963617.db2.gz IWGQDXYEBZISAD-LJQANCHMSA-N 1 0 387.405 3.726 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450856429 877016244 /nfs/dbraw/zinc/01/62/44/877016244.db2.gz IHHCLJVIAZMRAF-XTCWOQMQSA-N 1 0 399.560 3.957 20 30 GHEDRO CN(c1ncc(Br)cc1C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450948399 877108122 /nfs/dbraw/zinc/10/81/22/877108122.db2.gz GCNBMTQMNMNQQX-UHFFFAOYSA-N 1 0 391.235 3.569 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(C(F)(F)F)s3)C2)c(F)c1 ZINC000443970203 877149664 /nfs/dbraw/zinc/14/96/64/877149664.db2.gz QPQXQOGHYHQRLS-GFCCVEGCSA-N 1 0 384.402 3.931 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cccc(OC)c1C#N)[C@@H](C)Cc1ccc(O)cc1 ZINC001183048766 912219293 /nfs/dbraw/zinc/21/92/93/912219293.db2.gz AXVQXJCHEIKMQU-KRWDZBQOSA-N 1 0 395.503 3.944 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000174907469 877325449 /nfs/dbraw/zinc/32/54/49/877325449.db2.gz JFANOEGQVFTBMF-HSZRJFAPSA-N 1 0 391.515 3.695 20 30 GHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)CC(C)(C)CC#N)C1CCCCC1 ZINC000451094944 877362735 /nfs/dbraw/zinc/36/27/35/877362735.db2.gz JKKWUAISECFTED-UHFFFAOYSA-N 1 0 391.581 3.810 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(C2CC2)c1 ZINC000451114245 877378512 /nfs/dbraw/zinc/37/85/12/877378512.db2.gz KRDINGVXDVXXSE-MRXNPFEDSA-N 1 0 385.471 3.911 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000237575334 877623129 /nfs/dbraw/zinc/62/31/29/877623129.db2.gz YTHDONSJOJGYLH-PBHICJAKSA-N 1 0 394.393 3.526 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)C[C@H](C#N)c2c(Cl)cccc2Cl)CC1 ZINC001183121683 912265194 /nfs/dbraw/zinc/26/51/94/912265194.db2.gz QYUGUIFPLMQOJG-CQSZACIVSA-N 1 0 398.334 3.608 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451340806 877832924 /nfs/dbraw/zinc/83/29/24/877832924.db2.gz KFPQZNINKAEICZ-MTFMMBMASA-N 1 0 376.566 3.667 20 30 GHEDRO C=CC[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1)c1ccncc1 ZINC000851656529 877854551 /nfs/dbraw/zinc/85/45/51/877854551.db2.gz MKRBHJQCBKBOLU-BDTNDASRSA-N 1 0 394.519 3.542 20 30 GHEDRO C#CCOc1ccccc1CNCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000152377322 877898170 /nfs/dbraw/zinc/89/81/70/877898170.db2.gz YPKTWXQOTOMQKZ-FQEVSTJZSA-N 1 0 378.516 3.688 20 30 GHEDRO N#Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1Br ZINC000451409170 877906876 /nfs/dbraw/zinc/90/68/76/877906876.db2.gz GJZSUNIPOZFLLC-MRXNPFEDSA-N 1 0 390.325 3.848 20 30 GHEDRO C=C(C)CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000477597571 877911733 /nfs/dbraw/zinc/91/17/33/877911733.db2.gz DSQBUKDTPJHUJV-DOTOQJQBSA-N 1 0 390.471 3.584 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451424505 877953025 /nfs/dbraw/zinc/95/30/25/877953025.db2.gz SUFOZDBTLVMZBV-UKBAYJJMSA-N 1 0 387.549 3.502 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179747727 877967818 /nfs/dbraw/zinc/96/78/18/877967818.db2.gz IZQWPMKWIGQYPG-OAQYLSRUSA-N 1 0 397.862 3.662 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000852087164 878068748 /nfs/dbraw/zinc/06/87/48/878068748.db2.gz DUHJIYTVVUGWGP-PMACEKPBSA-N 1 0 376.504 3.905 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451542385 878108159 /nfs/dbraw/zinc/10/81/59/878108159.db2.gz JPHRSZBTROCBSS-WMLDXEAASA-N 1 0 375.538 3.574 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000451551667 878133790 /nfs/dbraw/zinc/13/37/90/878133790.db2.gz LVRVLFWMCACFSY-GOSISDBHSA-N 1 0 389.565 3.964 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](CCCSCC#N)CC2)C1 ZINC000852293412 878203678 /nfs/dbraw/zinc/20/36/78/878203678.db2.gz NTLKEXFONZJPAJ-GOSISDBHSA-N 1 0 381.586 3.992 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OC ZINC000788640985 878232802 /nfs/dbraw/zinc/23/28/02/878232802.db2.gz UXIIISDXLUMBSN-XJKSGUPXSA-N 1 0 384.436 3.717 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC001183175824 912331463 /nfs/dbraw/zinc/33/14/63/912331463.db2.gz KIHFTYQJFHIJFZ-JOCHJYFZSA-N 1 0 393.572 3.609 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473129 878352678 /nfs/dbraw/zinc/35/26/78/878352678.db2.gz JIYDIWWJIYTEFC-ZWKOTPCHSA-N 1 0 379.426 3.714 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000180026011 878360171 /nfs/dbraw/zinc/36/01/71/878360171.db2.gz BMURHJBMRBTUOD-KRWDZBQOSA-N 1 0 378.476 3.895 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000031150140 878454740 /nfs/dbraw/zinc/45/47/40/878454740.db2.gz UVCVQTNXJNAFSA-SFHVURJKSA-N 1 0 376.504 3.626 20 30 GHEDRO CN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000455913159 878464064 /nfs/dbraw/zinc/46/40/64/878464064.db2.gz YOTUQVAJGYXPKO-YADHBBJMSA-N 1 0 397.567 3.554 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460797102 878580048 /nfs/dbraw/zinc/58/00/48/878580048.db2.gz WKBULZFJIKZWNM-QUCCMNQESA-N 1 0 397.567 3.620 20 30 GHEDRO C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000852815469 878616984 /nfs/dbraw/zinc/61/69/84/878616984.db2.gz UPWFGBGDJIJXNV-KRWDZBQOSA-N 1 0 390.487 3.511 20 30 GHEDRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852871158 878639082 /nfs/dbraw/zinc/63/90/82/878639082.db2.gz WDPFIIZZXKZUIS-UHFFFAOYSA-N 1 0 390.462 3.629 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c1 ZINC000238060722 878659141 /nfs/dbraw/zinc/65/91/41/878659141.db2.gz VGSORPSYIYOBNX-UHFFFAOYSA-N 1 0 387.483 3.869 20 30 GHEDRO CCC1CCC([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 ZINC000530905268 878704341 /nfs/dbraw/zinc/70/43/41/878704341.db2.gz DGYKJMHTFUCTAN-UHFFFAOYSA-N 1 0 388.556 3.852 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC000789314826 878835404 /nfs/dbraw/zinc/83/54/04/878835404.db2.gz KZQPOQWTAHDJNZ-UHFFFAOYSA-N 1 0 398.894 3.726 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460945658 878837905 /nfs/dbraw/zinc/83/79/05/878837905.db2.gz WJECJSAEWXLHDD-QFUCXCTJSA-N 1 0 395.551 3.697 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c(C#N)c1C ZINC000452057929 878918479 /nfs/dbraw/zinc/91/84/79/878918479.db2.gz HNDHUTKGTNFYPL-QGZVFWFLSA-N 1 0 389.546 3.730 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000068884392 879138714 /nfs/dbraw/zinc/13/87/14/879138714.db2.gz YITHZKCRCZLCCA-GOSISDBHSA-N 1 0 388.493 3.657 20 30 GHEDRO Cc1cc2nc(Cl)cc(NC3CC[NH+](Cc4cccc(C#N)c4)CC3)n2n1 ZINC000853714739 879236264 /nfs/dbraw/zinc/23/62/64/879236264.db2.gz CAQPNRSXUYLNMV-UHFFFAOYSA-N 1 0 380.883 3.639 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-n2cccn2)cc1 ZINC000180834165 879399698 /nfs/dbraw/zinc/39/96/98/879399698.db2.gz QWGJMPNSUCLKER-CQSZACIVSA-N 1 0 379.851 3.687 20 30 GHEDRO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452452052 879465623 /nfs/dbraw/zinc/46/56/23/879465623.db2.gz NBQNDDKOOAVFGJ-OAQYLSRUSA-N 1 0 376.504 3.649 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455916520 879624487 /nfs/dbraw/zinc/62/44/87/879624487.db2.gz IPDIZIIEMNDVSG-UHFFFAOYSA-N 1 0 380.492 3.795 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000538508694 879631108 /nfs/dbraw/zinc/63/11/08/879631108.db2.gz YSJSFZAFWVUCKU-KRWDZBQOSA-N 1 0 379.479 3.829 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246563848 879687828 /nfs/dbraw/zinc/68/78/28/879687828.db2.gz LCDRMVPSFZWVFQ-PXNSSMCTSA-N 1 0 378.438 3.885 20 30 GHEDRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1cc(C#N)ccn1 ZINC000598148817 879822260 /nfs/dbraw/zinc/82/22/60/879822260.db2.gz PRBPXMOGBPFOSU-UHFFFAOYSA-N 1 0 384.911 3.981 20 30 GHEDRO COc1ccc2c(c1)CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](c1ccccc1)C2 ZINC000247653597 880038883 /nfs/dbraw/zinc/03/88/83/880038883.db2.gz PLDQJBAMICSVLL-UPVQGACJSA-N 1 0 389.499 3.603 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)c2cc3ccccc3n2CC#N)[NH+]2CCCC2)o1 ZINC000609169321 880121107 /nfs/dbraw/zinc/12/11/07/880121107.db2.gz ASYOKTVVVSLDOG-HXUWFJFHSA-N 1 0 376.460 3.633 20 30 GHEDRO N#CCn1c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc2ccccc21 ZINC000609170749 880127725 /nfs/dbraw/zinc/12/77/25/880127725.db2.gz YUQHQHOCEKNHOV-QGZVFWFLSA-N 1 0 392.528 3.868 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1=S ZINC000795700197 912537405 /nfs/dbraw/zinc/53/74/05/912537405.db2.gz HWAXYHWRUWRPTQ-IEBWSBKVSA-N 1 0 398.580 3.568 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(CC#N)c1)c1cccc(C(F)(F)F)c1 ZINC000183894427 880174338 /nfs/dbraw/zinc/17/43/38/880174338.db2.gz RMGZWQOOPJFOOO-SFHVURJKSA-N 1 0 375.394 3.804 20 30 GHEDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000791048583 880175543 /nfs/dbraw/zinc/17/55/43/880175543.db2.gz TZRUSYWNKMYEGB-AWEZNQCLSA-N 1 0 376.382 3.735 20 30 GHEDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000429523801 880629966 /nfs/dbraw/zinc/62/99/66/880629966.db2.gz XTJAUMDRRGIYKI-UXHICEINSA-N 1 0 398.482 3.591 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000113569869 880679046 /nfs/dbraw/zinc/67/90/46/880679046.db2.gz AIVUGBCUSDKLMR-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453444814 880909994 /nfs/dbraw/zinc/90/99/94/880909994.db2.gz TVCQYOVXDURYLQ-NNMXDRDESA-N 1 0 387.572 3.581 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186815053 880993157 /nfs/dbraw/zinc/99/31/57/880993157.db2.gz MZSUYYDDPJHWHP-UHFFFAOYSA-N 1 0 387.572 3.507 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1 ZINC000186970371 881038638 /nfs/dbraw/zinc/03/86/38/881038638.db2.gz ZGTMKAZEYDALQP-UHFFFAOYSA-N 1 0 390.434 3.998 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000114023125 881056948 /nfs/dbraw/zinc/05/69/48/881056948.db2.gz KNJQXNQFYXXORF-AJYBTWMASA-N 1 0 386.540 3.533 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(F)c(C)c(Br)c3)C2)C1=O ZINC001275212054 912643653 /nfs/dbraw/zinc/64/36/53/912643653.db2.gz CHXHENCFDGGLBN-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO N#CCSc1ccccc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792544777 881173782 /nfs/dbraw/zinc/17/37/82/881173782.db2.gz PXAQMKDGHTURAU-UHFFFAOYSA-N 1 0 397.466 3.837 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CC23CCC(F)(F)CC3)CC[NH+](Cc2ccccc2)CC1 ZINC001183593245 912667879 /nfs/dbraw/zinc/66/78/79/912667879.db2.gz JUVYBBFWOGRTDR-GOSISDBHSA-N 1 0 387.474 3.877 20 30 GHEDRO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181782730 883183652 /nfs/dbraw/zinc/18/36/52/883183652.db2.gz COXATZQPHQUDJA-SFHVURJKSA-N 1 0 377.488 3.792 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CCCC2)cc1 ZINC000858570905 883205811 /nfs/dbraw/zinc/20/58/11/883205811.db2.gz UKSNEQWIIYMTMP-UHFFFAOYSA-N 1 0 388.515 3.546 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000476839928 883252900 /nfs/dbraw/zinc/25/29/00/883252900.db2.gz FJRWOJJJXXNTDD-UHFFFAOYSA-N 1 0 397.519 3.656 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1ccc(F)cc1 ZINC000858649661 883254060 /nfs/dbraw/zinc/25/40/60/883254060.db2.gz BGJLOESPOKROSR-NRFANRHFSA-N 1 0 379.479 3.928 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000609545907 883339001 /nfs/dbraw/zinc/33/90/01/883339001.db2.gz WBMQTQHOPQLGPY-KRWDZBQOSA-N 1 0 385.533 3.746 20 30 GHEDRO C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000609583554 883379311 /nfs/dbraw/zinc/37/93/11/883379311.db2.gz OZYCYNGFQUYSSH-KRWDZBQOSA-N 1 0 377.488 3.597 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1nnc2n1CCCCC2 ZINC000286349109 912705178 /nfs/dbraw/zinc/70/51/78/912705178.db2.gz YSBIVOCGCPWELW-HXUWFJFHSA-N 1 0 378.524 3.586 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000609632195 883489629 /nfs/dbraw/zinc/48/96/29/883489629.db2.gz VNQNZRSTGRSBHX-SFHVURJKSA-N 1 0 397.544 3.720 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000193790109 883503839 /nfs/dbraw/zinc/50/38/39/883503839.db2.gz XKGMTOLFQOAOEM-UHFFFAOYSA-N 1 0 391.515 3.826 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1F ZINC000804961832 883513480 /nfs/dbraw/zinc/51/34/80/883513480.db2.gz LRXWVOGROLHUNZ-GOSISDBHSA-N 1 0 386.858 3.517 20 30 GHEDRO CC#CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000551259496 883553136 /nfs/dbraw/zinc/55/31/36/883553136.db2.gz PGXUKRFMBUUBJW-HNNXBMFYSA-N 1 0 375.822 3.588 20 30 GHEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC000192691694 883662410 /nfs/dbraw/zinc/66/24/10/883662410.db2.gz ODARSJRPJUPFEJ-RXVVDRJESA-N 1 0 393.510 3.719 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000761694638 883717756 /nfs/dbraw/zinc/71/77/56/883717756.db2.gz UZJPPAICUNVHMD-WIYYLYMNSA-N 1 0 398.551 3.542 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000609878431 883766387 /nfs/dbraw/zinc/76/63/87/883766387.db2.gz VVALOWIVABSJKF-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@@H](C)C1 ZINC000859419071 883806616 /nfs/dbraw/zinc/80/66/16/883806616.db2.gz JMCSSLPOCFFVAZ-SIKLNZKXSA-N 1 0 397.563 3.623 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](CC)c2ccc(Br)cc2)CC1 ZINC000859524555 883870203 /nfs/dbraw/zinc/87/02/03/883870203.db2.gz AIXBHCVSTWWFME-GOSISDBHSA-N 1 0 377.326 3.547 20 30 GHEDRO CC1(C)CC(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC(C)(C)[NH2+]1 ZINC000111790996 883884192 /nfs/dbraw/zinc/88/41/92/883884192.db2.gz MWHZKGITAPYJFN-UHFFFAOYSA-N 1 0 398.551 3.857 20 30 GHEDRO C=CCc1cc(C[NH2+]CCOc2ncc(Cl)cc2Cl)cc(OC)c1O ZINC000532394802 883989990 /nfs/dbraw/zinc/98/99/90/883989990.db2.gz PEJOHHJNKFGONA-UHFFFAOYSA-N 1 0 383.275 4.000 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000805784626 884066236 /nfs/dbraw/zinc/06/62/36/884066236.db2.gz PMIYAFJVOZHDHS-HSZRJFAPSA-N 1 0 375.516 3.716 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c(OC)c1 ZINC000198121531 884087881 /nfs/dbraw/zinc/08/78/81/884087881.db2.gz ZQLINIYFGNSLBJ-QFIPXVFZSA-N 1 0 395.499 3.658 20 30 GHEDRO C[NH+]1CCC(CNC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000760474063 884136088 /nfs/dbraw/zinc/13/60/88/884136088.db2.gz CNNABEVRKIZFCI-UHFFFAOYSA-N 1 0 380.517 3.979 20 30 GHEDRO O=S1(=O)C[C@@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)c2ccccc21 ZINC000263144493 884171283 /nfs/dbraw/zinc/17/12/83/884171283.db2.gz OPBSCNBKZMJFIV-QGZVFWFLSA-N 1 0 383.517 3.512 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCCn1ccnc1C ZINC000130116729 884194537 /nfs/dbraw/zinc/19/45/37/884194537.db2.gz UWJFCLFIZCGQRA-UHFFFAOYSA-N 1 0 381.398 3.985 20 30 GHEDRO Cc1ccc(S[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000498376422 884217592 /nfs/dbraw/zinc/21/75/92/884217592.db2.gz SXFCBGXEBJWUEY-GOSISDBHSA-N 1 0 381.545 3.938 20 30 GHEDRO N#C[C@@H](COC(=O)C1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000805932598 884231201 /nfs/dbraw/zinc/23/12/01/884231201.db2.gz WZNXLWSYGAPNOL-HNNXBMFYSA-N 1 0 391.309 3.549 20 30 GHEDRO C[N@H+]1C[C@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@H]2C1 ZINC000192534468 884240356 /nfs/dbraw/zinc/24/03/56/884240356.db2.gz BJUDSKJXDRWUNV-IYBDPMFKSA-N 1 0 381.863 3.638 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)OCCO2 ZINC000102691046 884274497 /nfs/dbraw/zinc/27/44/97/884274497.db2.gz JBNOOWHLEHHCDI-OAQYLSRUSA-N 1 0 399.878 3.908 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000102691285 884274682 /nfs/dbraw/zinc/27/46/82/884274682.db2.gz GHCGEDKCEROBES-IBGZPJMESA-N 1 0 385.489 3.706 20 30 GHEDRO CC(C)C[N@H+](C)CCCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001130523487 884387518 /nfs/dbraw/zinc/38/75/18/884387518.db2.gz BYYFVQBWGDCTQI-UHFFFAOYSA-N 1 0 379.504 3.845 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000806169552 884390755 /nfs/dbraw/zinc/39/07/55/884390755.db2.gz NKUYGFCWWXUQLU-DOTOQJQBSA-N 1 0 382.426 3.683 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(Br)ccc3C)CC2)C1=O ZINC001275247858 912821167 /nfs/dbraw/zinc/82/11/67/912821167.db2.gz HVPQMPRXRMMMLM-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000102751393 884404513 /nfs/dbraw/zinc/40/45/13/884404513.db2.gz KTHPAIKHBAKESO-SFHVURJKSA-N 1 0 395.503 3.972 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)cn1 ZINC000860206655 884417040 /nfs/dbraw/zinc/41/70/40/884417040.db2.gz VQBYLPRMWFKTJA-JTSKRJEESA-N 1 0 392.503 3.775 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000102803091 884463484 /nfs/dbraw/zinc/46/34/84/884463484.db2.gz QXQIQBGTUFQJTB-CQSZACIVSA-N 1 0 380.439 3.793 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000194749552 884463643 /nfs/dbraw/zinc/46/36/43/884463643.db2.gz QBAUZCDPEPUDLW-UHFFFAOYSA-N 1 0 394.475 3.917 20 30 GHEDRO COc1ccccc1CCN(C)C(=O)[C@H]1CCCCN1Cc1ccccc1C#N ZINC001183833071 912838380 /nfs/dbraw/zinc/83/83/80/912838380.db2.gz ZKNDTAOBWHWDSL-JOCHJYFZSA-N 1 0 391.515 3.622 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000286652942 912842415 /nfs/dbraw/zinc/84/24/15/912842415.db2.gz IOCPASISUQAUDT-XXBNENTESA-N 1 0 390.531 3.541 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000424179540 884628139 /nfs/dbraw/zinc/62/81/39/884628139.db2.gz YUFTYZCHWIGUSL-ICSRJNTNSA-N 1 0 398.459 3.863 20 30 GHEDRO C#Cc1cncc(C(=O)Nc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)c1 ZINC000806568401 884821252 /nfs/dbraw/zinc/82/12/52/884821252.db2.gz RQZYPCAWYSGCFF-UHFFFAOYSA-N 1 0 382.895 3.501 20 30 GHEDRO C=CCN1C(=O)N(CC2CC[NH+](CCC(C)C)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000761928141 884990518 /nfs/dbraw/zinc/99/05/18/884990518.db2.gz IIOJCTPHVHHEJW-QFIPXVFZSA-N 1 0 397.563 3.806 20 30 GHEDRO O=C(C#Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000747353917 885018304 /nfs/dbraw/zinc/01/83/04/885018304.db2.gz NDYBOINDWVRBFR-UHFFFAOYSA-N 1 0 386.417 3.791 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)CC1 ZINC000106259778 885019550 /nfs/dbraw/zinc/01/95/50/885019550.db2.gz SFQLWYSEBXVHGO-KRWDZBQOSA-N 1 0 389.540 3.883 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1sccc1C#N ZINC000103475159 885022603 /nfs/dbraw/zinc/02/26/03/885022603.db2.gz TUMWAFRBVJTBMM-UHFFFAOYSA-N 1 0 379.489 3.513 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)nc1 ZINC000237780766 885044386 /nfs/dbraw/zinc/04/43/86/885044386.db2.gz KREDBVRMAKIFIT-UHFFFAOYSA-N 1 0 392.894 3.551 20 30 GHEDRO C[C@@]1(Br)C[C@@H]1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000860856040 885055151 /nfs/dbraw/zinc/05/51/51/885055151.db2.gz DHHLCZALOCKSLM-SJLPKXTDSA-N 1 0 391.309 3.509 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000495288632 885098718 /nfs/dbraw/zinc/09/87/18/885098718.db2.gz MKBBAWKNAJSINP-GOSISDBHSA-N 1 0 377.529 3.514 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC000805274549 885190143 /nfs/dbraw/zinc/19/01/43/885190143.db2.gz AEYRVQWHUQJRQQ-JOCHJYFZSA-N 1 0 380.488 3.519 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000542550780 885358708 /nfs/dbraw/zinc/35/87/08/885358708.db2.gz LIENQBSJAWWBHT-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498703431 885409753 /nfs/dbraw/zinc/40/97/53/885409753.db2.gz LGDVKNOFWAALPN-PZJWPPBQSA-N 1 0 381.520 3.930 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000807466612 885462003 /nfs/dbraw/zinc/46/20/03/885462003.db2.gz DLCZCDXERZWQOV-XZOQPEGZSA-N 1 0 381.564 3.775 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(OC)cc2Br)C1=O ZINC001275282622 912943472 /nfs/dbraw/zinc/94/34/72/912943472.db2.gz UZILYUVDRXFSBL-IBGZPJMESA-N 1 0 393.325 3.601 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000807663242 885594499 /nfs/dbraw/zinc/59/44/99/885594499.db2.gz KVYGWEVSNISVFW-QFIPXVFZSA-N 1 0 393.531 3.530 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc(OC)c1OC ZINC000807704619 885614254 /nfs/dbraw/zinc/61/42/54/885614254.db2.gz OWKYYKOFWJBBNK-LJQANCHMSA-N 1 0 386.467 3.604 20 30 GHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccco1 ZINC000807680906 885630670 /nfs/dbraw/zinc/63/06/70/885630670.db2.gz XPHKKPVGWSDOCC-RHSMWYFYSA-N 1 0 380.448 3.703 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccco1 ZINC000807680908 885631190 /nfs/dbraw/zinc/63/11/90/885631190.db2.gz XPHKKPVGWSDOCC-WMLDXEAASA-N 1 0 380.448 3.703 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C2(c3ccc(C#N)cc3)CCCC2)cc1 ZINC000861606326 885687617 /nfs/dbraw/zinc/68/76/17/885687617.db2.gz JKSHMZIVGOMSCE-JOCHJYFZSA-N 1 0 391.515 3.798 20 30 GHEDRO Cc1cc(C)cc(-c2nnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s2)c1 ZINC000131238450 885692893 /nfs/dbraw/zinc/69/28/93/885692893.db2.gz JPZCFTOZHKOLEW-UHFFFAOYSA-N 1 0 386.525 3.521 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000556622441 885697024 /nfs/dbraw/zinc/69/70/24/885697024.db2.gz IETORYCKLUKMFI-SFHVURJKSA-N 1 0 397.544 3.798 20 30 GHEDRO N#CC1(NC(=O)C[C@H]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000537591243 885775869 /nfs/dbraw/zinc/77/58/69/885775869.db2.gz YOZLAQPMRZBPNA-NRFANRHFSA-N 1 0 387.527 3.856 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC001184034317 912977636 /nfs/dbraw/zinc/97/76/36/912977636.db2.gz ARMHFIXTVAYXHA-ROUUACIJSA-N 1 0 398.532 3.898 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000774707401 912989322 /nfs/dbraw/zinc/98/93/22/912989322.db2.gz ZGZCSVCISCAJMG-QHCPKHFHSA-N 1 0 385.471 3.604 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000532562020 886074839 /nfs/dbraw/zinc/07/48/39/886074839.db2.gz XAWFWOYCSXQJCN-UHFFFAOYSA-N 1 0 376.435 3.997 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000919765360 886318796 /nfs/dbraw/zinc/31/87/96/886318796.db2.gz RUKUEFMHEOUXOG-HOTGVXAUSA-N 1 0 382.508 3.737 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000537610642 886423166 /nfs/dbraw/zinc/42/31/66/886423166.db2.gz GHTDPGSWIUQIFG-UHFFFAOYSA-N 1 0 387.530 3.574 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000556880712 886473822 /nfs/dbraw/zinc/47/38/22/886473822.db2.gz QKMVWIHTYWNIOC-KCZVDYSFSA-N 1 0 380.488 3.887 20 30 GHEDRO C[C@H]1CCc2sc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2C1 ZINC000499059784 886490439 /nfs/dbraw/zinc/49/04/39/886490439.db2.gz REWWNTPENCISRT-INIZCTEOSA-N 1 0 381.545 3.949 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000762619711 886551310 /nfs/dbraw/zinc/55/13/10/886551310.db2.gz CLMQNMYWZZSWCT-UHFFFAOYSA-N 1 0 375.456 3.922 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000670198986 886783336 /nfs/dbraw/zinc/78/33/36/886783336.db2.gz BVSZWGGOASCAHI-UHFFFAOYSA-N 1 0 379.552 3.704 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000808792702 886787878 /nfs/dbraw/zinc/78/78/78/886787878.db2.gz MURMVSDFBKGGJS-SFHVURJKSA-N 1 0 391.471 3.504 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000808838778 886858244 /nfs/dbraw/zinc/85/82/44/886858244.db2.gz DMANLGDFAHRIQW-YJBOKZPZSA-N 1 0 382.439 3.513 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)CC1 ZINC000171722753 887060595 /nfs/dbraw/zinc/06/05/95/887060595.db2.gz BDSPRGDGRGRWTP-JOCHJYFZSA-N 1 0 390.483 3.521 20 30 GHEDRO NC(=[NH+]OCc1cccnc1C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000863459696 887129385 /nfs/dbraw/zinc/12/93/85/887129385.db2.gz QYVUWLFDAIGQGD-UHFFFAOYSA-N 1 0 378.398 3.928 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000487988423 887183588 /nfs/dbraw/zinc/18/35/88/887183588.db2.gz YUCJLSRBLCCMJJ-AWEZNQCLSA-N 1 0 391.313 3.660 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001184311103 913121006 /nfs/dbraw/zinc/12/10/06/913121006.db2.gz XWDQXNGQKBBNEE-FGZHOGPDSA-N 1 0 398.547 3.647 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cn(C(F)F)c3ccccc23)cc1 ZINC000863581711 887224546 /nfs/dbraw/zinc/22/45/46/887224546.db2.gz GGRVKUIHNGRGPZ-QGZVFWFLSA-N 1 0 385.414 3.632 20 30 GHEDRO CCc1ccc([C@@H](C#N)NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000809258697 887236778 /nfs/dbraw/zinc/23/67/78/887236778.db2.gz DNOIYYVOVCYPBK-VKVQTHCXSA-N 1 0 377.488 3.584 20 30 GHEDRO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000129041227 887253745 /nfs/dbraw/zinc/25/37/45/887253745.db2.gz HMUKMFJWNMPVKI-LJQANCHMSA-N 1 0 377.488 3.634 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1=S ZINC000153668359 887259978 /nfs/dbraw/zinc/25/99/78/887259978.db2.gz SGLOPRFMVCMUGZ-SFHVURJKSA-N 1 0 389.544 3.636 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000153275342 887346681 /nfs/dbraw/zinc/34/66/81/887346681.db2.gz ZZRDLLWQFUGLOC-GOEBONIOSA-N 1 0 383.492 3.914 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168262760 887367633 /nfs/dbraw/zinc/36/76/33/887367633.db2.gz LBMNBQLVUNVVDU-HXUWFJFHSA-N 1 0 384.520 3.663 20 30 GHEDRO CCOC(=O)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000130411201 887512680 /nfs/dbraw/zinc/51/26/80/887512680.db2.gz WPFNNRHETGCDIW-LJQANCHMSA-N 1 0 399.535 3.604 20 30 GHEDRO C#Cc1ccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000809612298 887583531 /nfs/dbraw/zinc/58/35/31/887583531.db2.gz ITKNUGYDIQSCJH-NRFANRHFSA-N 1 0 388.433 3.850 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000809635792 887639232 /nfs/dbraw/zinc/63/92/32/887639232.db2.gz MFKMOKRBACHCQH-HXUWFJFHSA-N 1 0 376.504 3.899 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@H]2CCCC23CCOCC3)sc2c1CCCCC2 ZINC000282114107 887657619 /nfs/dbraw/zinc/65/76/19/887657619.db2.gz QEZNVWNGFDXEBS-SFHVURJKSA-N 1 0 387.549 3.766 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794601664 887666849 /nfs/dbraw/zinc/66/68/49/887666849.db2.gz ASIRJXDJLOVHRD-NYVOZVTQSA-N 1 0 379.504 3.670 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809735654 887716609 /nfs/dbraw/zinc/71/66/09/887716609.db2.gz NLFIVQTWKVWJFT-KNQAVFIVSA-N 1 0 378.520 3.859 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1OC ZINC000796029044 913184900 /nfs/dbraw/zinc/18/49/00/913184900.db2.gz IMMWLMXNTZGXKA-HDICACEKSA-N 1 0 388.508 3.559 20 30 GHEDRO C[NH+]=C(NCc1ccc(Cl)s1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000179133085 887910894 /nfs/dbraw/zinc/91/08/94/887910894.db2.gz JCYDRSXAMJJUID-OAHLLOKOSA-N 1 0 385.961 3.527 20 30 GHEDRO N#CCc1ccsc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000865092252 888185411 /nfs/dbraw/zinc/18/54/11/888185411.db2.gz MBZPZSOVLGXHKV-UHFFFAOYSA-N 1 0 396.516 3.881 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000810151595 888240721 /nfs/dbraw/zinc/24/07/21/888240721.db2.gz CZVVBLQMDADJKX-GOSISDBHSA-N 1 0 382.895 3.588 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000794834393 888291292 /nfs/dbraw/zinc/29/12/92/888291292.db2.gz UXVHENIOBAVRLR-LJQANCHMSA-N 1 0 394.475 3.954 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000532700185 888330947 /nfs/dbraw/zinc/33/09/47/888330947.db2.gz MDQDJWRXTZZARB-MUGJNUQGSA-N 1 0 389.609 3.988 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000865694454 888519651 /nfs/dbraw/zinc/51/96/51/888519651.db2.gz FGEYWEZTSTVWJT-UHFFFAOYSA-N 1 0 396.498 3.589 20 30 GHEDRO COc1cccc(-c2n[nH]cc2C[NH2+]C2CCN(c3ccccc3C#N)CC2)c1 ZINC000865696625 888520795 /nfs/dbraw/zinc/52/07/95/888520795.db2.gz HZRJVLPUFOOPJW-UHFFFAOYSA-N 1 0 387.487 3.716 20 30 GHEDRO C=CCn1c2ccccc2n2nc(C)c(C(C)=NNCC[NH+]3CCCCC3)c12 ZINC000915974590 888590810 /nfs/dbraw/zinc/59/08/10/888590810.db2.gz IZPJGOPYTLXRGS-UHFFFAOYSA-N 1 0 378.524 3.583 20 30 GHEDRO N#CC[C@H](CC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000475930174 888708511 /nfs/dbraw/zinc/70/85/11/888708511.db2.gz ORWKLUBODGJQEL-HXUWFJFHSA-N 1 0 385.577 3.942 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C ZINC000916306812 888908425 /nfs/dbraw/zinc/90/84/25/888908425.db2.gz BSGXYBQZNYGSAP-UHFFFAOYSA-N 1 0 380.561 3.848 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000810838733 888926187 /nfs/dbraw/zinc/92/61/87/888926187.db2.gz RGVYOETWZGAMLM-RTWAWAEBSA-N 1 0 376.456 3.921 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Oc3ccccc3)CC1)C2 ZINC000866617770 888970687 /nfs/dbraw/zinc/97/06/87/888970687.db2.gz PCXLSLDRAILPMQ-RTWAWAEBSA-N 1 0 375.472 3.669 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121785143 889140354 /nfs/dbraw/zinc/14/03/54/889140354.db2.gz MLPCUEJIIYGSLJ-OALUTQOASA-N 1 0 384.476 3.907 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000532924760 889289908 /nfs/dbraw/zinc/28/99/08/889289908.db2.gz JLUWCIHIOVURKT-FQEVSTJZSA-N 1 0 376.504 3.534 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1F ZINC000868128326 889309658 /nfs/dbraw/zinc/30/96/58/889309658.db2.gz LELNKWLZRPWZDF-MSOLQXFVSA-N 1 0 380.423 3.848 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000454564260 889334515 /nfs/dbraw/zinc/33/45/15/889334515.db2.gz LGPSCLCBNWGDRI-FOIQADDNSA-N 1 0 382.533 3.943 20 30 GHEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000868211711 889355696 /nfs/dbraw/zinc/35/56/96/889355696.db2.gz XEMAUDKLQCQLBH-IAGOWNOFSA-N 1 0 394.441 3.581 20 30 GHEDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000532960054 889432448 /nfs/dbraw/zinc/43/24/48/889432448.db2.gz QEZBZWLUZRJOQA-JOCHJYFZSA-N 1 0 399.498 3.698 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000454696087 889533016 /nfs/dbraw/zinc/53/30/16/889533016.db2.gz HZDVWCJEECJJPE-QGZVFWFLSA-N 1 0 398.894 3.864 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000124995814 889840575 /nfs/dbraw/zinc/84/05/75/889840575.db2.gz CDTYCBQPLPNKFI-UHFFFAOYSA-N 1 0 395.503 3.573 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC(F)(F)[C@@H](C)C2)c1=S ZINC000811779953 889953878 /nfs/dbraw/zinc/95/38/78/889953878.db2.gz JZBRFIGYQILTDX-INIZCTEOSA-N 1 0 399.555 3.563 20 30 GHEDRO C=CCOc1ccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000795089637 889991537 /nfs/dbraw/zinc/99/15/37/889991537.db2.gz FQJBCWJVVDRYCL-UHFFFAOYSA-N 1 0 395.572 3.880 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000811912631 890078591 /nfs/dbraw/zinc/07/85/91/890078591.db2.gz GOSYAJZGERCKDH-GHTZIAJQSA-N 1 0 381.907 3.836 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000533254679 890104566 /nfs/dbraw/zinc/10/45/66/890104566.db2.gz GOGRMLBIXZCBKY-UHFFFAOYSA-N 1 0 378.476 3.613 20 30 GHEDRO C=C(C)COCC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000125809329 890169792 /nfs/dbraw/zinc/16/97/92/890169792.db2.gz WNBUBLDXWIHMSK-UHFFFAOYSA-N 1 0 393.119 3.903 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000811992416 890179001 /nfs/dbraw/zinc/17/90/01/890179001.db2.gz HZMNZZDFSOSBNI-UXHICEINSA-N 1 0 385.895 3.625 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNc1ccc2nnc(-c3ccsc3)n2n1)C(C)C ZINC001184775618 913425950 /nfs/dbraw/zinc/42/59/50/913425950.db2.gz QHNCSLDARLGUFO-KRWDZBQOSA-N 1 0 382.537 3.963 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cc(C#N)sc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001184819895 913460754 /nfs/dbraw/zinc/46/07/54/913460754.db2.gz HFZCWRSGYQWEMD-OKILXGFUSA-N 1 0 386.477 3.749 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001133236837 890545913 /nfs/dbraw/zinc/54/59/13/890545913.db2.gz UXGFGEJWXJHJRA-RDGATRHJSA-N 1 0 388.511 3.683 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000812515858 890708634 /nfs/dbraw/zinc/70/86/34/890708634.db2.gz PTUIUTXHLMWOLX-CQSZACIVSA-N 1 0 395.316 3.686 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)CC1 ZINC000812820684 890978430 /nfs/dbraw/zinc/97/84/30/890978430.db2.gz GPVDZMYNJCZSOF-UHFFFAOYSA-N 1 0 390.472 3.549 20 30 GHEDRO C#C[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ccc(F)cc1 ZINC000812792872 890989380 /nfs/dbraw/zinc/98/93/80/890989380.db2.gz JMXAPVUUPUINAW-NGICGMGXSA-N 1 0 376.431 3.697 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]CC#Cc3ccc(F)cc3)CCCC2)cc1OC ZINC000127657232 891192797 /nfs/dbraw/zinc/19/27/97/891192797.db2.gz UTBODVDFTKNIPJ-UHFFFAOYSA-N 1 0 396.462 3.736 20 30 GHEDRO NC(=NOCc1nc(C2CCCC2)no1)c1ccccc1C[NH+]1CCCCC1 ZINC000154283712 891227710 /nfs/dbraw/zinc/22/77/10/891227710.db2.gz FXRSJHHENWJOMP-UHFFFAOYSA-N 1 0 383.496 3.550 20 30 GHEDRO N#CCCn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccccc2)n1 ZINC000246429807 891237682 /nfs/dbraw/zinc/23/76/82/891237682.db2.gz MXNFLVRUMIMJKI-REWPJTCUSA-N 1 0 389.547 3.912 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2csc(Cc3ccccc3)n2)cc1 ZINC000747839111 891305510 /nfs/dbraw/zinc/30/55/10/891305510.db2.gz XZWNESXNXDLAML-UHFFFAOYSA-N 1 0 380.517 3.633 20 30 GHEDRO CC1(C)COc2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000813149732 891340026 /nfs/dbraw/zinc/34/00/26/891340026.db2.gz WWTLGOOJPYTMBF-UHFFFAOYSA-N 1 0 389.499 3.645 20 30 GHEDRO CCCc1c(NC(=O)N(C)CCCCCC[NH3+])cnn1-c1cccc(C#N)c1 ZINC000873321842 891582409 /nfs/dbraw/zinc/58/24/09/891582409.db2.gz ZJXZWDXJZRWMFA-UHFFFAOYSA-N 1 0 382.512 3.679 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000251432259 891617689 /nfs/dbraw/zinc/61/76/89/891617689.db2.gz BHNVOFZPGBLSFX-ZHALLVOQSA-N 1 0 397.548 3.989 20 30 GHEDRO CC[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620913 892027740 /nfs/dbraw/zinc/02/77/40/892027740.db2.gz QQGSGHCFKCQDLI-PZJWPPBQSA-N 1 0 390.531 3.584 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)ccc1OC ZINC000813860798 892032756 /nfs/dbraw/zinc/03/27/56/892032756.db2.gz VRCPSSDFJWVLHQ-OXQOHEQNSA-N 1 0 395.503 3.929 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261627820 892048167 /nfs/dbraw/zinc/04/81/67/892048167.db2.gz DQDLJFHYZBVIMK-LJQANCHMSA-N 1 0 397.544 3.558 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000917467540 892059129 /nfs/dbraw/zinc/05/91/29/892059129.db2.gz JSGBQDSKUOYMQR-KRWDZBQOSA-N 1 0 384.549 3.510 20 30 GHEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000796198840 913626541 /nfs/dbraw/zinc/62/65/41/913626541.db2.gz RPIVHVOHUUQIPS-XMMPIXPASA-N 1 0 386.499 3.864 20 30 GHEDRO N#Cc1ccc2cc(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)ccc2n1 ZINC001170718304 892130845 /nfs/dbraw/zinc/13/08/45/892130845.db2.gz DBWOVOLSCQYQKZ-JKIUYZKVSA-N 1 0 389.547 3.857 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128568652 892136175 /nfs/dbraw/zinc/13/61/75/892136175.db2.gz LXDRKXSMQHCBNF-NHCUHLMSSA-N 1 0 379.508 3.520 20 30 GHEDRO Oc1ccc(/C=N\C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c(O)c1O ZINC000917557331 892206643 /nfs/dbraw/zinc/20/66/43/892206643.db2.gz GKDYXXTUKKZOFU-MYKKPKGFSA-N 1 0 394.393 3.906 20 30 GHEDRO C=CCc1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc(OC)c1OC ZINC000262174781 892218849 /nfs/dbraw/zinc/21/88/49/892218849.db2.gz BANGSHJYBTZHJD-UHFFFAOYSA-N 1 0 387.505 3.608 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000729809528 892221700 /nfs/dbraw/zinc/22/17/00/892221700.db2.gz LJPCEYKJOGTSKA-INIZCTEOSA-N 1 0 392.459 3.527 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000154496160 892422377 /nfs/dbraw/zinc/42/23/77/892422377.db2.gz LHTRDBSKEFISKE-PXNSSMCTSA-N 1 0 396.984 3.676 20 30 GHEDRO CCOc1cc(Cl)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000497790020 892436482 /nfs/dbraw/zinc/43/64/82/892436482.db2.gz DEGOKZJJFNIMLM-UHFFFAOYSA-N 1 0 385.895 3.814 20 30 GHEDRO N#CC1(CCC[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000282070276 892614921 /nfs/dbraw/zinc/61/49/21/892614921.db2.gz SSUMZGJVOBNGSN-UHFFFAOYSA-N 1 0 381.442 3.928 20 30 GHEDRO C=CCc1cc(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)cc(OC)c1O ZINC000128905699 892648537 /nfs/dbraw/zinc/64/85/37/892648537.db2.gz RVGPWQLUJRSSED-UHFFFAOYSA-N 1 0 398.478 3.617 20 30 GHEDRO C=CCOc1ccc(COC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000875554817 892683415 /nfs/dbraw/zinc/68/34/15/892683415.db2.gz AMLGHUIPBAEACO-FGZHOGPDSA-N 1 0 397.519 3.542 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C(F)F)CC2)cc1 ZINC000455605504 892703296 /nfs/dbraw/zinc/70/32/96/892703296.db2.gz VNBZQWKZYQQGEX-FQEVSTJZSA-N 1 0 398.457 3.782 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)C#Cc3cccs3)c(C(F)(F)F)c2)CC1 ZINC000825818788 892825976 /nfs/dbraw/zinc/82/59/76/892825976.db2.gz IMPPLVQCSSTMBA-UHFFFAOYSA-N 1 0 393.434 3.509 20 30 GHEDRO C#CCC[NH+]1CCN(Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)CC1 ZINC000272030874 892887106 /nfs/dbraw/zinc/88/71/06/892887106.db2.gz PEZHLUGUWFWZFG-UHFFFAOYSA-N 1 0 396.560 3.585 20 30 GHEDRO N#Cc1ccc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)cc1 ZINC000194539219 893002546 /nfs/dbraw/zinc/00/25/46/893002546.db2.gz VHIOQNPCKJWVBU-UHFFFAOYSA-N 1 0 375.388 3.681 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000876691243 893290799 /nfs/dbraw/zinc/29/07/99/893290799.db2.gz FVFBODRZLXVQQM-MRXNPFEDSA-N 1 0 391.726 3.971 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC(CCC#N)CC1 ZINC000563058578 893327538 /nfs/dbraw/zinc/32/75/38/893327538.db2.gz NSEFKMPBOWWKBN-OALUTQOASA-N 1 0 382.552 3.868 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000815031048 893385617 /nfs/dbraw/zinc/38/56/17/893385617.db2.gz MFRFMGNYDURWQR-OAQYLSRUSA-N 1 0 398.466 3.708 20 30 GHEDRO CC(C)C(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000455815771 893393023 /nfs/dbraw/zinc/39/30/23/893393023.db2.gz JVTQCFKSUWTKBT-UHFFFAOYSA-N 1 0 392.503 3.993 20 30 GHEDRO CCOc1ccc(C2(C[NH2+]Cc3cc(C#N)cnc3Cl)CCOCC2)cc1 ZINC000876969646 893413425 /nfs/dbraw/zinc/41/34/25/893413425.db2.gz VQOJSKNJANKJOP-UHFFFAOYSA-N 1 0 385.895 3.843 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(C)C ZINC000498150824 893416860 /nfs/dbraw/zinc/41/68/60/893416860.db2.gz ZSHAQKRCFAHLIT-LJQANCHMSA-N 1 0 382.464 3.571 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000877074624 893470762 /nfs/dbraw/zinc/47/07/62/893470762.db2.gz CCMIKSRFEVSSHJ-SUMWQHHRSA-N 1 0 390.833 3.778 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC000815154373 893492633 /nfs/dbraw/zinc/49/26/33/893492633.db2.gz AJRDTCSDPDKDDE-VGOFRKELSA-N 1 0 380.463 3.680 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000877128460 893500282 /nfs/dbraw/zinc/50/02/82/893500282.db2.gz BZGBFHLAWOIAFQ-ZIAGYGMSSA-N 1 0 385.455 3.921 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459441237 893530356 /nfs/dbraw/zinc/53/03/56/893530356.db2.gz NITIOQDIZCBNDG-NRFANRHFSA-N 1 0 378.476 3.857 20 30 GHEDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137118088 893554955 /nfs/dbraw/zinc/55/49/55/893554955.db2.gz LPXIKKGCXDTZRJ-JOCHJYFZSA-N 1 0 389.499 3.569 20 30 GHEDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000536724357 893662685 /nfs/dbraw/zinc/66/26/85/893662685.db2.gz HRWTZLVZMIPLAP-QZTJIDSGSA-N 1 0 379.504 3.670 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c(C#N)c1C ZINC000459540526 893764338 /nfs/dbraw/zinc/76/43/38/893764338.db2.gz XTFDHSHUVCJNQS-FQEVSTJZSA-N 1 0 381.476 3.590 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877757789 893796153 /nfs/dbraw/zinc/79/61/53/893796153.db2.gz VKNWSCFOPSJGHT-CYBMUJFWSA-N 1 0 378.904 3.732 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1C#N ZINC000459558191 893804551 /nfs/dbraw/zinc/80/45/51/893804551.db2.gz ITTBNDKGXFBFGJ-CQSZACIVSA-N 1 0 397.426 3.766 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cc(C#N)cs3)C2)CC1 ZINC000877810112 893820452 /nfs/dbraw/zinc/82/04/52/893820452.db2.gz OQGXXIOKDSIXJB-INIZCTEOSA-N 1 0 391.537 3.516 20 30 GHEDRO C=CCCc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c(=O)[nH]1 ZINC001185359088 913811859 /nfs/dbraw/zinc/81/18/59/913811859.db2.gz RFRVFXRBBOUBJY-AVRDEDQJSA-N 1 0 393.531 3.888 20 30 GHEDRO COc1cc2c(cc1OC)CC[NH+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC2 ZINC000877994378 893935268 /nfs/dbraw/zinc/93/52/68/893935268.db2.gz UAEZPDQLXWVZSX-XMMPIXPASA-N 1 0 392.499 3.545 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCN2C(=O)COc3ccccc32)CC1 ZINC000536868676 893969669 /nfs/dbraw/zinc/96/96/69/893969669.db2.gz IAOBOMLNJNWZSN-UHFFFAOYSA-N 1 0 389.499 3.796 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000815660424 894074052 /nfs/dbraw/zinc/07/40/52/894074052.db2.gz ZAQCOXUPCKOABC-MRXNPFEDSA-N 1 0 391.920 3.867 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000934993272 894096488 /nfs/dbraw/zinc/09/64/88/894096488.db2.gz AXFPBDHHDQDIQT-HXUWFJFHSA-N 1 0 385.471 3.763 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459716619 894097182 /nfs/dbraw/zinc/09/71/82/894097182.db2.gz PYKIUOKWUAQVDX-HUUCEWRRSA-N 1 0 394.313 3.762 20 30 GHEDRO N#CCC[C@H](C#N)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459751741 894145606 /nfs/dbraw/zinc/14/56/06/894145606.db2.gz KNXKMKUPWQWTKQ-WTIAFYNJSA-N 1 0 376.479 3.827 20 30 GHEDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCC2 ZINC000459780562 894182517 /nfs/dbraw/zinc/18/25/17/894182517.db2.gz XXRWIEDABBSYNA-OALUTQOASA-N 1 0 384.524 3.577 20 30 GHEDRO N#Cc1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC000815733917 894184533 /nfs/dbraw/zinc/18/45/33/894184533.db2.gz JJFOEHHWWBPQPB-INIZCTEOSA-N 1 0 391.393 3.678 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc3cccnc32)c(OC)c1 ZINC000563806299 894210490 /nfs/dbraw/zinc/21/04/90/894210490.db2.gz QEPVUIRNQZJGOO-FQEVSTJZSA-N 1 0 378.472 3.501 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)cc1 ZINC000878371192 894236809 /nfs/dbraw/zinc/23/68/09/894236809.db2.gz HEHYZMYXKNWBBK-UHFFFAOYSA-N 1 0 398.551 3.865 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)ccc1C)C(=S)NC[C@H]1CCCO1 ZINC000022691638 894282933 /nfs/dbraw/zinc/28/29/33/894282933.db2.gz XIZCDTYCYBAAHT-LJQANCHMSA-O 1 0 397.564 3.861 20 30 GHEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC(=O)NCc3cccc(C#N)c3)cc2)cs1 ZINC000537074855 894296963 /nfs/dbraw/zinc/29/69/63/894296963.db2.gz XNTWEGMIYYHRKY-HNNXBMFYSA-N 1 0 390.512 3.957 20 30 GHEDRO O=C(c1cc(F)ccc1F)C(C(=S)NCc1ccccc1)[n+]1ccccc1 ZINC000022730708 894334779 /nfs/dbraw/zinc/33/47/79/894334779.db2.gz DYIGIKBJQFMBQL-UHFFFAOYSA-O 1 0 383.443 3.981 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1CCC(Oc2ccc(F)nc2)CC1)c1ccccc1 ZINC000878504195 894342814 /nfs/dbraw/zinc/34/28/14/894342814.db2.gz XOQBBOKTSTZHPI-QFIPXVFZSA-N 1 0 381.451 3.505 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(c2ncc3n2CCCC3)CC1)c1ccccc1 ZINC000878528267 894362526 /nfs/dbraw/zinc/36/25/26/894362526.db2.gz MIWSJNYNXPUMFD-XMMPIXPASA-N 1 0 390.531 3.839 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000564153462 894655749 /nfs/dbraw/zinc/65/57/49/894655749.db2.gz SXGASXDVNGTUQM-HNNXBMFYSA-N 1 0 382.460 3.975 20 30 GHEDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000897579324 895114088 /nfs/dbraw/zinc/11/40/88/895114088.db2.gz UCKPKGUIAGSQMK-GOSISDBHSA-N 1 0 390.491 3.610 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000817365804 895567745 /nfs/dbraw/zinc/56/77/45/895567745.db2.gz VUTQMBZYIYIZAV-BEFAXECRSA-N 1 0 395.507 3.525 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000565376368 895575641 /nfs/dbraw/zinc/57/56/41/895575641.db2.gz GAIHUPZNVGQVJK-UHFFFAOYSA-N 1 0 394.425 3.589 20 30 GHEDRO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)nc1C ZINC000880323796 895640726 /nfs/dbraw/zinc/64/07/26/895640726.db2.gz YGVRHIQVKZGHQC-INIZCTEOSA-N 1 0 385.489 3.520 20 30 GHEDRO C[C@]1(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCC[NH2+]C1 ZINC000565589032 895745558 /nfs/dbraw/zinc/74/55/58/895745558.db2.gz YRKUZPNTROLHMO-QHCPKHFHSA-N 1 0 394.494 3.799 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@]3(c4ccccc4)C[C@H](F)C3)CC2)c1 ZINC000880582519 895756670 /nfs/dbraw/zinc/75/66/70/895756670.db2.gz PBCPUSMEXGVGFM-SAIGFBBZSA-N 1 0 391.490 3.709 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC001136025958 895928534 /nfs/dbraw/zinc/92/85/34/895928534.db2.gz FUJVOOXZSQJUHW-NHCUHLMSSA-N 1 0 377.463 3.809 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)[C@@H](C)C1 ZINC000880926557 896003791 /nfs/dbraw/zinc/00/37/91/896003791.db2.gz ACLCUTUHRUCETR-JQFCIGGWSA-N 1 0 382.430 3.533 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(C4CCCC4)n3C3CC3)CC2)cc1 ZINC000566387209 896280991 /nfs/dbraw/zinc/28/09/91/896280991.db2.gz WCBHOMUPWYJGOK-UHFFFAOYSA-N 1 0 390.535 3.855 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000819310064 896545850 /nfs/dbraw/zinc/54/58/50/896545850.db2.gz YKVUCGMXGXDUIW-SMDDNHRTSA-N 1 0 388.002 3.637 20 30 GHEDRO C[C@](O)(C[NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Br)cc1F ZINC000819271499 896557779 /nfs/dbraw/zinc/55/77/79/896557779.db2.gz SEGNWNIPYFYIRB-MOPGFXCFSA-N 1 0 389.268 3.944 20 30 GHEDRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+]Cc1ccc(C#N)cn1)c1ccccc1 ZINC000819314302 896607231 /nfs/dbraw/zinc/60/72/31/896607231.db2.gz WVTVTRJAGUWJNV-VWNXMTODSA-N 1 0 387.483 3.518 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819367077 896642305 /nfs/dbraw/zinc/64/23/05/896642305.db2.gz CVWRFPWYKONKQT-SFTDATJTSA-N 1 0 388.552 3.771 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C)[NH+](CC)CC)s1 ZINC000819518611 896807099 /nfs/dbraw/zinc/80/70/99/896807099.db2.gz YBNLCIRAVPEIAQ-GFCCVEGCSA-N 1 0 375.991 3.685 20 30 GHEDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)C[N@@H+]2C1 ZINC001136265067 896951254 /nfs/dbraw/zinc/95/12/54/896951254.db2.gz OJTNJDDGRGQGOT-SUMDDJOVSA-N 1 0 376.460 3.804 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000567219641 896980861 /nfs/dbraw/zinc/98/08/61/896980861.db2.gz QTTCXZRYMKDMEF-XSXHAURPSA-N 1 0 385.511 3.974 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](CCc3ccc(Cl)cc3Cl)CC2)C1=O ZINC001276323562 914130129 /nfs/dbraw/zinc/13/01/29/914130129.db2.gz DHJPVQNXLGKZDB-FQEVSTJZSA-N 1 0 379.331 3.874 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567635690 897304135 /nfs/dbraw/zinc/30/41/35/897304135.db2.gz FAZWTOQRCPXBHO-JOCHJYFZSA-N 1 0 381.479 3.942 20 30 GHEDRO N#Cc1cccc(NC(=O)CN(Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000131214288 897366571 /nfs/dbraw/zinc/36/65/71/897366571.db2.gz GBIBXMOWKLMDRW-HXUWFJFHSA-N 1 0 391.496 3.794 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)[C@@H]1CCCO1 ZINC000883220232 897380624 /nfs/dbraw/zinc/38/06/24/897380624.db2.gz GMQOXHUIYBPBDB-SXWKCWPCSA-N 1 0 397.519 3.515 20 30 GHEDRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(OCC#N)cc1 ZINC000883275703 897430843 /nfs/dbraw/zinc/43/08/43/897430843.db2.gz ZLTOMHRMAAMJPT-SCLBCKFNSA-N 1 0 375.266 3.736 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC(C[NH+](CC)CC)CC1)c1ccc(Cl)cc1F ZINC000820738503 897526392 /nfs/dbraw/zinc/52/63/92/897526392.db2.gz ZCSVVQRGIQQHSF-LJQANCHMSA-N 1 0 379.907 3.917 20 30 GHEDRO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741413 897807054 /nfs/dbraw/zinc/80/70/54/897807054.db2.gz RPDZWQBYGMUHET-SJORKVTESA-N 1 0 395.503 3.836 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000805765483 897879837 /nfs/dbraw/zinc/87/98/37/897879837.db2.gz UKRFEGMEDJWOPY-GOSISDBHSA-N 1 0 379.545 3.856 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000568817011 898129167 /nfs/dbraw/zinc/12/91/67/898129167.db2.gz YEZJFASXEXHYDF-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO C=CCOc1cccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000105719490 898231973 /nfs/dbraw/zinc/23/19/73/898231973.db2.gz WNCUDRDWQPTTIX-UHFFFAOYSA-N 1 0 394.519 3.817 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000108711829 898395611 /nfs/dbraw/zinc/39/56/11/898395611.db2.gz HLTOTIFSSTYDIL-UHFFFAOYSA-N 1 0 379.485 3.518 20 30 GHEDRO N#Cc1ccc(OC2CCN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000569627793 898835239 /nfs/dbraw/zinc/83/52/39/898835239.db2.gz XGMOPMGSRFXHME-NRFANRHFSA-N 1 0 395.890 3.860 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001136677628 898848559 /nfs/dbraw/zinc/84/85/59/898848559.db2.gz YWIWELAHJBSCHJ-LJQANCHMSA-N 1 0 375.516 3.860 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4c(Cl)cccc43)C2=O)cc1 ZINC000569762028 898933214 /nfs/dbraw/zinc/93/32/14/898933214.db2.gz JSZXJBPGAIYUPO-SFTDATJTSA-N 1 0 379.891 3.980 20 30 GHEDRO CCC[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884120466 898953077 /nfs/dbraw/zinc/95/30/77/898953077.db2.gz MJYLIBMVMYXEKC-WSIVYLHMSA-N 1 0 379.426 3.802 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C ZINC000331530962 898962738 /nfs/dbraw/zinc/96/27/38/898962738.db2.gz KTMBLRPUOSTHFG-DSLXNQLJSA-N 1 0 387.499 3.624 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(OCc3cccc(F)c3)c(F)c1)C2 ZINC000884124156 898978356 /nfs/dbraw/zinc/97/83/56/898978356.db2.gz PAGVODPDKFUWAF-BXFSZVDSSA-N 1 0 397.425 3.622 20 30 GHEDRO COc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1OC ZINC000113324697 898984245 /nfs/dbraw/zinc/98/42/45/898984245.db2.gz XVSZQSFNTKAJBG-UHFFFAOYSA-N 1 0 376.460 3.771 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000823437118 899026017 /nfs/dbraw/zinc/02/60/17/899026017.db2.gz ILKLCDRPCGUMCK-WZONZLPQSA-N 1 0 397.519 3.658 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1Oc1ccccc1 ZINC000569942661 899034543 /nfs/dbraw/zinc/03/45/43/899034543.db2.gz RRVOYJVWVVHWOU-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO COc1ccccc1-c1ccc([C@@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884153318 899100575 /nfs/dbraw/zinc/10/05/75/899100575.db2.gz IJCICEKJZHYPNC-NZBVYWSLSA-N 1 0 389.499 3.679 20 30 GHEDRO COc1cc(C[NH+]2CCC(CCO)CC2)ccc1OCc1cccc(C#N)c1 ZINC000570076224 899106352 /nfs/dbraw/zinc/10/63/52/899106352.db2.gz XXWAOGRUBKKGQL-UHFFFAOYSA-N 1 0 380.488 3.740 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(C#N)cc1N(C)C ZINC000331884410 899242326 /nfs/dbraw/zinc/24/23/26/899242326.db2.gz NBFKBXSKLIZTNQ-UHFFFAOYSA-N 1 0 383.540 3.709 20 30 GHEDRO O[C@@H](COCc1ccccc1F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117432526 899372918 /nfs/dbraw/zinc/37/29/18/899372918.db2.gz KHLRIUQUBUARHL-GFCCVEGCSA-N 1 0 389.311 3.520 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000570595786 899421351 /nfs/dbraw/zinc/42/13/51/899421351.db2.gz WBQHPMPLAVULOR-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccncc1 ZINC000824338691 899538963 /nfs/dbraw/zinc/53/89/63/899538963.db2.gz YPZGHXKUQIRCFF-FDFHNCONSA-N 1 0 376.504 3.615 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cnc4cc(C)ccn34)C2)CC1 ZINC001136885202 899665368 /nfs/dbraw/zinc/66/53/68/899665368.db2.gz KTFVLFKZONQMJE-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C2 ZINC000884320084 899783793 /nfs/dbraw/zinc/78/37/93/899783793.db2.gz KKHMLYXYMOKYRN-HLMGYYKMSA-N 1 0 391.437 3.597 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136937153 899814538 /nfs/dbraw/zinc/81/45/38/899814538.db2.gz XFCTYEVBKNPGLB-TZIWHRDSSA-N 1 0 381.463 3.904 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC000824886887 899885814 /nfs/dbraw/zinc/88/58/14/899885814.db2.gz NMDLCHQGVXZSQM-RTWAWAEBSA-N 1 0 384.520 3.562 20 30 GHEDRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)ccc1C#N ZINC000824984602 899929016 /nfs/dbraw/zinc/92/90/16/899929016.db2.gz ZSTYJJMZIXQASK-UHFFFAOYSA-N 1 0 381.501 3.676 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC(C)(C)CCC#N)CC12CCOCC2 ZINC000825024769 899939537 /nfs/dbraw/zinc/93/95/37/899939537.db2.gz UTTHTHRVDWKPET-KRWDZBQOSA-N 1 0 379.545 3.570 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)cc1 ZINC001136987005 899967919 /nfs/dbraw/zinc/96/79/19/899967919.db2.gz FHJFFKCHOQHQQQ-UHFFFAOYSA-N 1 0 391.450 3.965 20 30 GHEDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000571958951 900020198 /nfs/dbraw/zinc/02/01/98/900020198.db2.gz RHWXGGAHVRTKJK-UHFFFAOYSA-N 1 0 387.487 3.816 20 30 GHEDRO C#Cc1cccc(C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)c1 ZINC000825226536 900035991 /nfs/dbraw/zinc/03/59/91/900035991.db2.gz IQPRXGKZYWBRNX-UHFFFAOYSA-N 1 0 389.524 3.918 20 30 GHEDRO C=C(Br)CNC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000135013261 900163316 /nfs/dbraw/zinc/16/33/16/900163316.db2.gz RMMMEKJNBGCYFF-DOTOQJQBSA-N 1 0 380.330 3.762 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2OCC#N)[NH+]2CCCC2)cc1 ZINC000135337056 900226049 /nfs/dbraw/zinc/22/60/49/900226049.db2.gz JHQNMMIZXPBBDI-FQEVSTJZSA-N 1 0 396.466 3.995 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157465071 900546894 /nfs/dbraw/zinc/54/68/94/900546894.db2.gz UHTBEVLYIRZKKJ-HSZRJFAPSA-N 1 0 376.504 3.754 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000574352864 900858007 /nfs/dbraw/zinc/85/80/07/900858007.db2.gz OFQKXJTYFIMJOW-QGZVFWFLSA-N 1 0 399.560 3.508 20 30 GHEDRO C[NH+](C)CCN(Cc1c(C2CC2)nc2sccn12)Cc1ccc(C#N)cc1 ZINC000574366879 900865927 /nfs/dbraw/zinc/86/59/27/900865927.db2.gz ZAPNZZUONCMAHF-UHFFFAOYSA-N 1 0 379.533 3.709 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000886192447 900876164 /nfs/dbraw/zinc/87/61/64/900876164.db2.gz WYVHCGKLLXMZNB-FFZOFVMBSA-N 1 0 377.479 3.523 20 30 GHEDRO N#CCOc1ccc(/C=C/C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064521764 900959911 /nfs/dbraw/zinc/95/99/11/900959911.db2.gz RVLPOFDWZNIVRJ-QPGLYAHGSA-N 1 0 395.528 3.692 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000067120684 901041078 /nfs/dbraw/zinc/04/10/78/901041078.db2.gz NNQSUILDBRUPLV-UHFFFAOYSA-N 1 0 394.494 3.570 20 30 GHEDRO Cc1ccc(F)c(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000844597410 901063327 /nfs/dbraw/zinc/06/33/27/901063327.db2.gz WLUZHGDZYFKBMU-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO COC(=O)c1ccc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(C#N)n1 ZINC000575138110 901130407 /nfs/dbraw/zinc/13/04/07/901130407.db2.gz QIHPRFWBQFCHAO-MRXNPFEDSA-N 1 0 378.476 3.726 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@@H](COC(=O)Cc2ccccc2CC#N)O1 ZINC000778892879 901132346 /nfs/dbraw/zinc/13/23/46/901132346.db2.gz RIBJYJDEMFKMQX-QFIPXVFZSA-N 1 0 392.499 3.518 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)CC(C)C ZINC001144189959 901222152 /nfs/dbraw/zinc/22/21/52/901222152.db2.gz OXMSGLWZUZJWAY-MRXNPFEDSA-N 1 0 380.330 3.807 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc(Br)nc1C)C(C)C ZINC001144197706 901238228 /nfs/dbraw/zinc/23/82/28/901238228.db2.gz KPFWHZOCVGELFW-CYBMUJFWSA-N 1 0 386.359 3.642 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000086293728 901401501 /nfs/dbraw/zinc/40/15/01/901401501.db2.gz BKRBAJGGGJIKLC-UHFFFAOYSA-N 1 0 377.920 3.639 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3nc(Cl)ccc3Cl)CC2)c1 ZINC000845006412 901638513 /nfs/dbraw/zinc/63/85/13/901638513.db2.gz FYTIXBVLIFLLLD-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000845007671 901640685 /nfs/dbraw/zinc/64/06/85/901640685.db2.gz WZTMWILKWSUVFD-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000576217274 901827077 /nfs/dbraw/zinc/82/70/77/901827077.db2.gz HOKSWJAJJIPYJS-LBXVMSDZSA-N 1 0 376.460 3.706 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CC[N@H+](C)C4(CCCCC4)C3)c2c1 ZINC001186499689 914583901 /nfs/dbraw/zinc/58/39/01/914583901.db2.gz NXSXLXFUJHJQCM-UHFFFAOYSA-N 1 0 380.492 3.578 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1C#N ZINC000047405645 901976951 /nfs/dbraw/zinc/97/69/51/901976951.db2.gz XXEKIFAZTQJPMY-QGZVFWFLSA-N 1 0 384.524 3.531 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001144396272 902029251 /nfs/dbraw/zinc/02/92/51/902029251.db2.gz ZQVFUPJIRQVWIS-OEMFJLHTSA-N 1 0 389.543 3.939 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]2CCO[C@H]21 ZINC000333388740 902056648 /nfs/dbraw/zinc/05/66/48/902056648.db2.gz GPWXUXDNIWWBSK-NIKGAXFTSA-N 1 0 387.549 3.620 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1I ZINC001171191545 902247323 /nfs/dbraw/zinc/24/73/23/902247323.db2.gz AVXCVKLAFJBFGP-ZDUSSCGKSA-N 1 0 376.241 3.884 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC001171195124 902282823 /nfs/dbraw/zinc/28/28/23/902282823.db2.gz OZEPKSUQTDNRFR-HTAPYJJXSA-N 1 0 383.923 3.806 20 30 GHEDRO CC(C)(C)OC(=O)Nc1c(C#N)cc(Br)cc1NCC(C)(C)[NH3+] ZINC001171193938 902292160 /nfs/dbraw/zinc/29/21/60/902292160.db2.gz HXDAHKVMFAAYSE-UHFFFAOYSA-N 1 0 383.290 3.817 20 30 GHEDRO Cc1cccc2c1CCN(C(=O)NC1CC[NH+](Cc3cccc(C#N)c3)CC1)C2 ZINC000845737379 902356913 /nfs/dbraw/zinc/35/69/13/902356913.db2.gz GNEZMCSWQLEUBP-UHFFFAOYSA-N 1 0 388.515 3.599 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3cc(C(F)(F)F)cnc3C#N)CC2)c1 ZINC000845773752 902379342 /nfs/dbraw/zinc/37/93/42/902379342.db2.gz QYMXQGWPWIVIFP-UHFFFAOYSA-N 1 0 385.393 3.920 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000263768403 902499671 /nfs/dbraw/zinc/49/96/71/902499671.db2.gz WBXXORUBFNAFAC-UHFFFAOYSA-N 1 0 385.471 3.595 20 30 GHEDRO N#C[C@]1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC12CCCC2 ZINC000577145499 902536915 /nfs/dbraw/zinc/53/69/15/902536915.db2.gz GBGRNOJFPYMDHP-QHCPKHFHSA-N 1 0 394.519 3.914 20 30 GHEDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008788 902589165 /nfs/dbraw/zinc/58/91/65/902589165.db2.gz XXKOYNORPCJZES-XMMPIXPASA-N 1 0 388.515 3.894 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001171211517 902649692 /nfs/dbraw/zinc/64/96/92/902649692.db2.gz FAASIUDKICDSAY-DKLXNKCPSA-N 1 0 375.516 3.996 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC000846062576 902676833 /nfs/dbraw/zinc/67/68/33/902676833.db2.gz CKYCUYJRCLSEKL-MNEFBYGVSA-N 1 0 385.508 3.903 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846115261 902693782 /nfs/dbraw/zinc/69/37/82/902693782.db2.gz SWVRYYHLJHWSDV-SFTDATJTSA-N 1 0 398.551 3.558 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001171212223 902696785 /nfs/dbraw/zinc/69/67/85/902696785.db2.gz KMXZJSDDHGXJMT-OFAXGOBFSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001171216009 902721458 /nfs/dbraw/zinc/72/14/58/902721458.db2.gz FTBPPAPMKUCUKE-AUSIDOKSSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001171217247 902754352 /nfs/dbraw/zinc/75/43/52/902754352.db2.gz OJJUMZZDTYILTD-LWZKNFMGSA-N 1 0 398.547 3.554 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001171218319 902775955 /nfs/dbraw/zinc/77/59/55/902775955.db2.gz UNWLETPNLPBOAP-LJQANCHMSA-N 1 0 375.520 3.662 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001171218284 902776242 /nfs/dbraw/zinc/77/62/42/902776242.db2.gz UHMBDIKKQYYZJM-GOSISDBHSA-N 1 0 396.560 3.565 20 30 GHEDRO CCOc1c(Cl)cc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc1OC ZINC000264071640 902825740 /nfs/dbraw/zinc/82/57/40/902825740.db2.gz DIVPGZYEUVZUTK-UHFFFAOYSA-N 1 0 393.871 3.691 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)c2c[nH]c3ccccc32)cc1 ZINC000600717465 902840431 /nfs/dbraw/zinc/84/04/31/902840431.db2.gz LQXCBAMDXGSBPT-GHTZIAJQSA-N 1 0 389.499 3.953 20 30 GHEDRO CCOc1ccc([C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c2ccccc2)cc1 ZINC000600717312 902841939 /nfs/dbraw/zinc/84/19/39/902841939.db2.gz KARWEBSDUODZBJ-JTHBVZDNSA-N 1 0 394.515 3.836 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)c2ccc(C)cc2)cc1 ZINC000600723958 902845850 /nfs/dbraw/zinc/84/58/50/902845850.db2.gz ZYLZQTPHKZNHHF-FYYLOGMGSA-N 1 0 394.515 3.754 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000600723899 902846107 /nfs/dbraw/zinc/84/61/07/902846107.db2.gz ZMKMVDKDQHLSKW-SFHVURJKSA-N 1 0 378.394 3.539 20 30 GHEDRO COc1ccccc1Oc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600725396 902847572 /nfs/dbraw/zinc/84/75/72/902847572.db2.gz JISCSTDPCGXUDP-LJQANCHMSA-N 1 0 396.487 3.648 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000600734999 902858055 /nfs/dbraw/zinc/85/80/55/902858055.db2.gz LREBOPWWHWBVLR-DEOSSOPVSA-N 1 0 392.543 3.749 20 30 GHEDRO COc1cccc(Cn2ccc3ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc32)c1 ZINC000600757117 902879549 /nfs/dbraw/zinc/87/95/49/902879549.db2.gz IZRWDVFPHNDZSL-HXUWFJFHSA-N 1 0 376.460 3.658 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000846341297 902906018 /nfs/dbraw/zinc/90/60/18/902906018.db2.gz OUYQYDMYQHLMKE-QFIPXVFZSA-N 1 0 379.504 3.596 20 30 GHEDRO CCN(CC(=O)N1CCc2c(CC#N)cccc2C1)Cc1ccccc1Cl ZINC000600787629 902914868 /nfs/dbraw/zinc/91/48/68/902914868.db2.gz BNHAJSLRFBVGFV-UHFFFAOYSA-N 1 0 381.907 3.813 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C1COC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001171224030 902932275 /nfs/dbraw/zinc/93/22/75/902932275.db2.gz OTNOBWOSDDSHDI-KRWDZBQOSA-N 1 0 399.535 3.590 20 30 GHEDRO Cc1cc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)n(-c2ccc(C)cc2)n1 ZINC000577619828 902961344 /nfs/dbraw/zinc/96/13/44/902961344.db2.gz GGUOAMVGUSLCSW-UHFFFAOYSA-N 1 0 385.471 3.578 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001171232051 903044223 /nfs/dbraw/zinc/04/42/23/903044223.db2.gz PDISOXRUGGMDKD-IBGZPJMESA-N 1 0 383.499 3.768 20 30 GHEDRO CCOc1ccc(C(=O)C(C(=S)NCCSC)[n+]2cccc(C)c2)cc1 ZINC000131242948 903073580 /nfs/dbraw/zinc/07/35/80/903073580.db2.gz OTBFFWGPQBWBMX-UHFFFAOYSA-O 1 0 389.566 3.573 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000264418057 903078291 /nfs/dbraw/zinc/07/82/91/903078291.db2.gz SPQLTDNEQQIFFH-UHFFFAOYSA-N 1 0 384.446 3.933 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000048214829 903093010 /nfs/dbraw/zinc/09/30/10/903093010.db2.gz OAKPWLMMBWZFOX-UHFFFAOYSA-N 1 0 382.895 3.675 20 30 GHEDRO [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC001171250078 903159673 /nfs/dbraw/zinc/15/96/73/903159673.db2.gz PLWPAESRHBCFIJ-IHWFROFDSA-N 1 0 384.483 3.776 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132126833 903210747 /nfs/dbraw/zinc/21/07/47/903210747.db2.gz WMVQRJRGJOMBSW-SIKLNZKXSA-N 1 0 391.515 3.643 20 30 GHEDRO CC1(C)CC(=O)Nc2nc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC001171274480 903466720 /nfs/dbraw/zinc/46/67/20/903466720.db2.gz AHADVVIITFRTAL-UHFFFAOYSA-N 1 0 389.503 3.672 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000578091230 903510073 /nfs/dbraw/zinc/51/00/73/903510073.db2.gz WMZMIUVXIPCWDZ-WZONZLPQSA-N 1 0 389.499 3.836 20 30 GHEDRO COc1nc(C)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)c1C#N ZINC001171276877 903514638 /nfs/dbraw/zinc/51/46/38/903514638.db2.gz JNMSBTISEVSNDX-UHFFFAOYSA-N 1 0 375.476 3.549 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001146419422 903533645 /nfs/dbraw/zinc/53/36/45/903533645.db2.gz IYNFUDUJZDUCGM-SFHVURJKSA-N 1 0 393.572 3.618 20 30 GHEDRO COC(=O)c1cc2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2[nH]1 ZINC001171277582 903539346 /nfs/dbraw/zinc/53/93/46/903539346.db2.gz UHXSTYYHRZEARR-UHFFFAOYSA-N 1 0 388.471 3.925 20 30 GHEDRO CCOC(=O)c1cc(C)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001171282613 903583273 /nfs/dbraw/zinc/58/32/73/903583273.db2.gz VFOZZHDBPWWTSB-UHFFFAOYSA-N 1 0 378.476 3.537 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@H](CCC#N)c1ccc(OC)cc1)Cc1ccc(F)cc1C ZINC000578192137 903602387 /nfs/dbraw/zinc/60/23/87/903602387.db2.gz DHBOIZLRKQEPEE-SIKLNZKXSA-N 1 0 397.494 3.682 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000772983409 903850652 /nfs/dbraw/zinc/85/06/52/903850652.db2.gz HONBNLDKQQINGM-YOEHRIQHSA-N 1 0 390.480 3.761 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000578586067 903985000 /nfs/dbraw/zinc/98/50/00/903985000.db2.gz JPXRATLRDGPUTG-LJQANCHMSA-N 1 0 395.551 3.931 20 30 GHEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000578601458 904000643 /nfs/dbraw/zinc/00/06/43/904000643.db2.gz CRFPJCDNFJFCIB-LEWJYISDSA-N 1 0 398.576 3.680 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCC(CC)([NH+]3CCC3)CC2)cc1C#N ZINC000887917674 904007268 /nfs/dbraw/zinc/00/72/68/904007268.db2.gz NKBVEOIZJDPBBD-UHFFFAOYSA-N 1 0 399.495 3.609 20 30 GHEDRO C#CCC1(NC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CCOCC1 ZINC000887938756 904014548 /nfs/dbraw/zinc/01/45/48/904014548.db2.gz YCGQOAWYEGFEFQ-UHFFFAOYSA-N 1 0 383.536 3.655 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+](C)C)cc1 ZINC000578666332 904036367 /nfs/dbraw/zinc/03/63/67/904036367.db2.gz GPOZFNCHZFPUTJ-IBGZPJMESA-N 1 0 387.430 3.656 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000151378055 904118317 /nfs/dbraw/zinc/11/83/17/904118317.db2.gz TXGKNUZIPAVGIV-AVRDEDQJSA-N 1 0 391.519 3.951 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1OCCCC#N ZINC000151421949 904129727 /nfs/dbraw/zinc/12/97/27/904129727.db2.gz WEDAIGMNQWKBHN-FXAWDEMLSA-N 1 0 376.522 3.522 20 30 GHEDRO N#Cc1nc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1C(F)(F)F ZINC000578884470 904206353 /nfs/dbraw/zinc/20/63/53/904206353.db2.gz QFKKVSYFSPODKR-UHFFFAOYSA-N 1 0 392.347 3.611 20 30 GHEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000578999662 904283092 /nfs/dbraw/zinc/28/30/92/904283092.db2.gz BMPYGAQMLYLTLQ-XZOQPEGZSA-N 1 0 397.494 3.842 20 30 GHEDRO N#CC1(N[C@H]2CCc3c(F)cc(F)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001171349386 904340229 /nfs/dbraw/zinc/34/02/29/904340229.db2.gz ISWSXNVMKDYQOK-FQEVSTJZSA-N 1 0 381.470 3.970 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1C#N ZINC000773082265 904417779 /nfs/dbraw/zinc/41/77/79/904417779.db2.gz HEEJCMRHFWCEDY-HNNXBMFYSA-N 1 0 385.895 3.908 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000509530173 904468780 /nfs/dbraw/zinc/46/87/80/904468780.db2.gz XQNDVXCXUJIMEN-PZJWPPBQSA-N 1 0 391.515 3.922 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000579299307 904492413 /nfs/dbraw/zinc/49/24/13/904492413.db2.gz RPSREPCZUVLELZ-CTNGQTDRSA-N 1 0 391.515 3.744 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC23CC[NH+](C)CC3)s1 ZINC000889221742 904501673 /nfs/dbraw/zinc/50/16/73/904501673.db2.gz QJBYDWKFIRSFHG-UHFFFAOYSA-N 1 0 385.986 3.535 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000579498891 904654902 /nfs/dbraw/zinc/65/49/02/904654902.db2.gz PMMDHBNBGTZXOF-NQIIRXRSSA-N 1 0 389.421 3.909 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCc4cc(F)c(F)cc4C3)CC2)c1 ZINC001171464511 904723817 /nfs/dbraw/zinc/72/38/17/904723817.db2.gz AUAXUQBPLWCWFH-OAQYLSRUSA-N 1 0 381.470 3.948 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540625 904766776 /nfs/dbraw/zinc/76/67/76/904766776.db2.gz UMAWWFMOYPCTDB-QYWGDWMGSA-N 1 0 381.438 3.787 20 30 GHEDRO Cc1c(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cnn1CCC#N ZINC000889838525 904793002 /nfs/dbraw/zinc/79/30/02/904793002.db2.gz FKDQXGHEFZKIDS-UHFFFAOYSA-N 1 0 379.508 3.632 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000188132662 904879157 /nfs/dbraw/zinc/87/91/57/904879157.db2.gz OBEXUDZWHPJPII-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN([C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001171754980 904988642 /nfs/dbraw/zinc/98/86/42/904988642.db2.gz KYTAKHPVIFNAPW-AYVPJYCDSA-N 1 0 384.564 3.723 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(N(C)CCC#N)cc1 ZINC000075825793 905000850 /nfs/dbraw/zinc/00/08/50/905000850.db2.gz AJCDSWDYTZMBIC-UHFFFAOYSA-N 1 0 377.536 3.709 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC12CCC2 ZINC001171848280 905095483 /nfs/dbraw/zinc/09/54/83/905095483.db2.gz ODDAYCZOZYXQED-CVEARBPZSA-N 1 0 378.538 3.583 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC001171920575 905149982 /nfs/dbraw/zinc/14/99/82/905149982.db2.gz JCOWYEIWEKPUEI-WMZOPIPTSA-N 1 0 384.442 3.968 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)C2 ZINC001171952231 905159226 /nfs/dbraw/zinc/15/92/26/905159226.db2.gz SYKFRARSXNFTCX-FOODFGNOSA-N 1 0 379.541 3.572 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171926829 905181170 /nfs/dbraw/zinc/18/11/70/905181170.db2.gz PVVGGAGEIBVGOC-VLMZZQAOSA-N 1 0 379.541 3.713 20 30 GHEDRO O=C1C=C2C[N@H+](C3CCN(c4ccc(Br)cc4)CC3)CCC2S1 ZINC001171990665 905202007 /nfs/dbraw/zinc/20/20/07/905202007.db2.gz CRMVDDMZSHDGPP-QGZVFWFLSA-N 1 0 393.350 3.692 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000174478973 905280059 /nfs/dbraw/zinc/28/00/59/905280059.db2.gz GAYWMQOBQIEIRO-GOSISDBHSA-N 1 0 377.488 3.551 20 30 GHEDRO COC(=O)C1(c2ccc(Br)cc2)CCC([NH2+]CC2(C#N)CC2)CC1 ZINC001172142822 905348361 /nfs/dbraw/zinc/34/83/61/905348361.db2.gz MHRPTGXCIWNTBA-UHFFFAOYSA-N 1 0 391.309 3.696 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C)C(C)C ZINC000627073205 905412012 /nfs/dbraw/zinc/41/20/12/905412012.db2.gz GUOJDZGFLTXQAJ-LAUBAEHRSA-N 1 0 398.551 3.977 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(C4CCOCC4)cc3)cc2C#N)CC1 ZINC001212653460 905454341 /nfs/dbraw/zinc/45/43/41/905454341.db2.gz ZILPPVKEJNYKSV-UHFFFAOYSA-N 1 0 376.504 3.948 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001172307082 905462932 /nfs/dbraw/zinc/46/29/32/905462932.db2.gz ZVJCRYCPOUIWHA-WNOPAQSVSA-N 1 0 391.515 3.834 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001172309876 905467154 /nfs/dbraw/zinc/46/71/54/905467154.db2.gz VXLKETKFDLKVSV-KRWDZBQOSA-N 1 0 394.544 3.574 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001172309877 905467454 /nfs/dbraw/zinc/46/74/54/905467454.db2.gz VXLKETKFDLKVSV-QGZVFWFLSA-N 1 0 394.544 3.574 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 ZINC001172290100 905480089 /nfs/dbraw/zinc/48/00/89/905480089.db2.gz MESBYVXSVOTYII-IIBYNOLFSA-N 1 0 375.488 3.818 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001172291068 905480481 /nfs/dbraw/zinc/48/04/81/905480481.db2.gz VWPRXRNJVQBOJD-MRXNPFEDSA-N 1 0 375.488 3.818 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC001172299601 905484572 /nfs/dbraw/zinc/48/45/72/905484572.db2.gz MCLRCIUDIOSZIV-VGOFRKELSA-N 1 0 383.923 3.806 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001172356152 905527173 /nfs/dbraw/zinc/52/71/73/905527173.db2.gz USOSLTSHGUBEIQ-CZYKHXBRSA-N 1 0 394.600 3.569 20 30 GHEDRO C=CCOc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000175356189 905542836 /nfs/dbraw/zinc/54/28/36/905542836.db2.gz BSJYIURPPBIDMW-UHFFFAOYSA-N 1 0 395.503 3.530 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc1O2 ZINC001172497868 905599850 /nfs/dbraw/zinc/59/98/50/905599850.db2.gz GOZLUPHNHVXWEQ-RBUKOAKNSA-N 1 0 383.536 3.948 20 30 GHEDRO COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001172621467 905728408 /nfs/dbraw/zinc/72/84/08/905728408.db2.gz AKYBTUVYQGSMPI-GOEBONIOSA-N 1 0 376.884 3.787 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCC[C@H](C(=O)OC)CC3)CC2)C1 ZINC001172781279 905822116 /nfs/dbraw/zinc/82/21/16/905822116.db2.gz IABZVPORZODSFZ-OALUTQOASA-N 1 0 392.540 3.609 20 30 GHEDRO N#Cc1ccc(N2CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172916076 905988300 /nfs/dbraw/zinc/98/83/00/905988300.db2.gz QKSVSKGHVJIFCZ-OAQYLSRUSA-N 1 0 376.460 3.536 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172910800 906018340 /nfs/dbraw/zinc/01/83/40/906018340.db2.gz OGAVGZYKNPCSFP-ILWGZMRPSA-N 1 0 386.492 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C[C@H]1C#N ZINC001172969437 906032165 /nfs/dbraw/zinc/03/21/65/906032165.db2.gz VOKYCVJZTNLPSM-HOTGVXAUSA-N 1 0 394.313 3.830 20 30 GHEDRO OC[C@@H]1CN(Cc2cccc(F)c2OCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000628272759 906034859 /nfs/dbraw/zinc/03/48/59/906034859.db2.gz XUCGFMZQRFIYCX-NWDGAFQWSA-N 1 0 389.311 3.760 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C[C@H]1C#N ZINC001172972533 906037523 /nfs/dbraw/zinc/03/75/23/906037523.db2.gz ACJBDQZRRQDYCA-OFQRWUPVSA-N 1 0 377.872 3.655 20 30 GHEDRO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172972518 906037600 /nfs/dbraw/zinc/03/76/00/906037600.db2.gz AVNPIVYNWKZLTG-MOPGFXCFSA-N 1 0 387.524 3.898 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2([C@H]3CCOC(C)(C)C3)CC2)C[C@H]1C#N ZINC001172977537 906044013 /nfs/dbraw/zinc/04/40/13/906044013.db2.gz CNVZLGVSLYKFTP-BBWFWOEESA-N 1 0 377.529 3.605 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)C[C@H]1C#N ZINC001172981959 906049829 /nfs/dbraw/zinc/04/98/29/906049829.db2.gz QSYXZYPKMXQNEW-CABCVRRESA-N 1 0 383.685 3.991 20 30 GHEDRO CCC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000190633157 906184811 /nfs/dbraw/zinc/18/48/11/906184811.db2.gz GHQPCPDFYRQQSR-LEWJYISDSA-N 1 0 392.459 3.698 20 30 GHEDRO C=CCOC1CCC([N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CC1 ZINC001173321165 906369853 /nfs/dbraw/zinc/36/98/53/906369853.db2.gz IFMTZQUGDRZVED-ASVQSLTASA-N 1 0 388.552 3.705 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(CCN(Cc4cccc(OC)c4)C3=O)C2)CC1 ZINC001173321744 906370748 /nfs/dbraw/zinc/37/07/48/906370748.db2.gz SJCKJWAXOKXNNR-SLXFGWRHSA-N 1 0 398.547 3.633 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)CC1 ZINC001173325650 906373385 /nfs/dbraw/zinc/37/33/85/906373385.db2.gz OTKRKNVKMYSBLR-UHFFFAOYSA-N 1 0 387.524 3.795 20 30 GHEDRO Cc1nc(COC[C@H]2Cn3nccc3C[N@@H+](C3CCC(CC#N)CC3)C2)cs1 ZINC001173333152 906377389 /nfs/dbraw/zinc/37/73/89/906377389.db2.gz LBYOCQBJKDSUQN-QPIRBTGLSA-N 1 0 399.564 3.769 20 30 GHEDRO C=CCOC1CCC(n2cc([C@H](C[NH3+])C(=O)OC)c3cc(OC)ccc32)CC1 ZINC001173316317 906389199 /nfs/dbraw/zinc/38/91/99/906389199.db2.gz GCLYNIHEALSQLC-RJYAGPCLSA-N 1 0 386.492 3.552 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1cccc(C)c1 ZINC000178904009 906399606 /nfs/dbraw/zinc/39/96/06/906399606.db2.gz OYTYQYJDDGHQLZ-UHFFFAOYSA-O 1 0 385.987 3.889 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001173384169 906412906 /nfs/dbraw/zinc/41/29/06/906412906.db2.gz ZGXIBDCQDJVFRA-KDYLLFBJSA-N 1 0 390.325 3.726 20 30 GHEDRO CCCC[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000190919258 906429456 /nfs/dbraw/zinc/42/94/56/906429456.db2.gz LAMYCKRMSWYIJP-JOCHJYFZSA-N 1 0 393.535 3.784 20 30 GHEDRO COc1cccc(C2([NH2+]C3CCN(C(=O)c4ccc(C#N)cc4)CC3)CCC2)c1 ZINC001173428485 906464997 /nfs/dbraw/zinc/46/49/97/906464997.db2.gz PGHNFYUYXJHGHO-UHFFFAOYSA-N 1 0 389.499 3.840 20 30 GHEDRO COc1cccc([C@@H](C)C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173429181 906465258 /nfs/dbraw/zinc/46/52/58/906465258.db2.gz NEMONHIQIMXIEM-KRWDZBQOSA-N 1 0 377.488 3.565 20 30 GHEDRO COc1ccc([C@H](C)[N@H+](C)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173433585 906468132 /nfs/dbraw/zinc/46/81/32/906468132.db2.gz RSAZLZWSYPDKNM-KRWDZBQOSA-N 1 0 377.488 3.864 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H]1Cc2ccccc2[C@@H]1OC ZINC000629107808 906515230 /nfs/dbraw/zinc/51/52/30/906515230.db2.gz WYUCWMMCXDGLNT-CTNGQTDRSA-N 1 0 398.576 3.897 20 30 GHEDRO C=CC[N@H+](C1CCCCC1)[C@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173514407 906522025 /nfs/dbraw/zinc/52/20/25/906522025.db2.gz MRWBKJHQYHBFCJ-SFTDATJTSA-N 1 0 384.520 3.654 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)CC1 ZINC001173594923 906548346 /nfs/dbraw/zinc/54/83/46/906548346.db2.gz OFHUANNGEAJPCN-SNCIUUNGSA-N 1 0 399.510 3.965 20 30 GHEDRO CC1(C#N)CCC([N@H+]2CCc3nc(C(=O)Nc4cccnc4)sc3CC2)CC1 ZINC001173595851 906550405 /nfs/dbraw/zinc/55/04/05/906550405.db2.gz ZJFWPNMEHMEKGV-UHFFFAOYSA-N 1 0 395.532 3.663 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+](C2CCC(c3ccc(OC(C)=O)cc3)CC2)CC1 ZINC001173794826 906717052 /nfs/dbraw/zinc/71/70/52/906717052.db2.gz XHRNYXGOCRQRIO-UHFFFAOYSA-N 1 0 398.503 3.807 20 30 GHEDRO CO[C@@H](C)C(=O)Nc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000180282953 906736886 /nfs/dbraw/zinc/73/68/86/906736886.db2.gz WBYWJXZHMNXXQV-KRWDZBQOSA-N 1 0 392.503 3.608 20 30 GHEDRO O=C(NCC[NH2+][C@@H](CCCc1ccccc1)c1ccccc1)C1N=CC=CC1=O ZINC000180873885 906868226 /nfs/dbraw/zinc/86/82/26/906868226.db2.gz LBAOBBSTIXNTHG-HGJUWQSKSA-N 1 0 389.499 3.867 20 30 GHEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180877200 906868987 /nfs/dbraw/zinc/86/89/87/906868987.db2.gz WDQYJTMDEWUJQJ-JVMRMLDLSA-N 1 0 391.899 3.552 20 30 GHEDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181913868 907099083 /nfs/dbraw/zinc/09/90/83/907099083.db2.gz GDSDHWNSWFCHPW-SBUREZEXSA-N 1 0 381.495 3.764 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NC(C)(C)C)cc1 ZINC000299345429 921298890 /nfs/dbraw/zinc/29/88/90/921298890.db2.gz FOHYWQSUJZKSOV-UHFFFAOYSA-O 1 0 383.537 3.894 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NCc3ccc(N(C)CCC#N)cc3)c2)CC1 ZINC000191885193 907301920 /nfs/dbraw/zinc/30/19/20/907301920.db2.gz DQWVVCKZSQJQJV-UHFFFAOYSA-N 1 0 377.536 3.790 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000192022014 907363685 /nfs/dbraw/zinc/36/36/85/907363685.db2.gz PHBZCENFJNCXAP-MRXNPFEDSA-N 1 0 382.357 3.588 20 30 GHEDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1(C#N)CCCCC1 ZINC000192102923 907408736 /nfs/dbraw/zinc/40/87/36/907408736.db2.gz FYGJUMXYJWNVHC-IEBWSBKVSA-N 1 0 393.890 3.584 20 30 GHEDRO CC(C)(C)c1csc(CC2(O)CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC001175412095 907538841 /nfs/dbraw/zinc/53/88/41/907538841.db2.gz WVOQEVJFRHYLPT-UHFFFAOYSA-N 1 0 399.560 3.761 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)/C=C\c2ccccc2C#N)cc1 ZINC000779541802 907540050 /nfs/dbraw/zinc/54/00/50/907540050.db2.gz HCNAZZYWWBYDCP-VPAPRSNLSA-N 1 0 375.472 3.533 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184346401 907566623 /nfs/dbraw/zinc/56/66/23/907566623.db2.gz YTFVTXKXEIPJKS-YUNKPMOVSA-N 1 0 386.496 3.717 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001175533359 907608751 /nfs/dbraw/zinc/60/87/51/907608751.db2.gz VBCSTGIYEWGRIU-LJQANCHMSA-N 1 0 387.405 3.857 20 30 GHEDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)N(C)C)c1 ZINC000299455845 921342937 /nfs/dbraw/zinc/34/29/37/921342937.db2.gz VGTIMZLSUPRTRJ-OAQYLSRUSA-N 1 0 397.519 3.779 20 30 GHEDRO CN(CC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)C(=O)OC(C)(C)C ZINC000779596591 907835897 /nfs/dbraw/zinc/83/58/97/907835897.db2.gz IWBNSCVMQWBNCR-UHFFFAOYSA-N 1 0 397.523 3.762 20 30 GHEDRO COC(=O)c1sc(SC)c(C#N)c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176223852 907994059 /nfs/dbraw/zinc/99/40/59/907994059.db2.gz LQDMGTUUCMGOQU-UHFFFAOYSA-N 1 0 391.518 3.812 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C)cc1 ZINC000186976747 908014877 /nfs/dbraw/zinc/01/48/77/908014877.db2.gz LQQSXWTXFKPHGJ-UHFFFAOYSA-O 1 0 386.497 3.908 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cc(C#N)c(F)cc2Br)cn1 ZINC001176359405 908072124 /nfs/dbraw/zinc/07/21/24/908072124.db2.gz CTTCIRJZUFYGKS-UHFFFAOYSA-N 1 0 393.260 3.929 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187782283 908137600 /nfs/dbraw/zinc/13/76/00/908137600.db2.gz QMPCWBKHLPYRAB-LAUBAEHRSA-N 1 0 390.430 3.570 20 30 GHEDRO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001176579377 908183481 /nfs/dbraw/zinc/18/34/81/908183481.db2.gz SWMFJIPEFJKPJF-INIZCTEOSA-N 1 0 397.469 3.763 20 30 GHEDRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000191302922 908607679 /nfs/dbraw/zinc/60/76/79/908607679.db2.gz ODOYTZKDABBDTO-UHFFFAOYSA-N 1 0 393.491 3.616 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193753999 908671442 /nfs/dbraw/zinc/67/14/42/908671442.db2.gz IJLUAODKNOTGIO-IBGZPJMESA-N 1 0 378.476 3.601 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000634580016 908774687 /nfs/dbraw/zinc/77/46/87/908774687.db2.gz WCFMSDKAONQGJM-KBPBESRZSA-N 1 0 385.489 3.849 20 30 GHEDRO Cc1cc(N2CCN(C(=O)[C@@H](C#N)Cc3cccs3)CC2)c2ccccc2[nH+]1 ZINC001177907719 908794908 /nfs/dbraw/zinc/79/49/08/908794908.db2.gz DJIHURLOXSMEPW-QGZVFWFLSA-N 1 0 390.512 3.636 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000194248840 908869698 /nfs/dbraw/zinc/86/96/98/908869698.db2.gz RMQLWQCEJTXKPH-UHFFFAOYSA-N 1 0 396.466 3.752 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C#Cc1ccc(F)cc1F ZINC001178569424 909126713 /nfs/dbraw/zinc/12/67/13/909126713.db2.gz ZLXNWOPYOXSHQU-JTSKRJEESA-N 1 0 382.454 3.685 20 30 GHEDRO O=C(C#Cc1ccc(F)cc1F)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001178569254 909126867 /nfs/dbraw/zinc/12/68/67/909126867.db2.gz UJBWQDSTWKIWLU-LEWJYISDSA-N 1 0 394.465 3.687 20 30 GHEDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000266511573 909202723 /nfs/dbraw/zinc/20/27/23/909202723.db2.gz XOJQWYJILOBQAK-SJORKVTESA-N 1 0 381.476 3.690 20 30 GHEDRO C=C[C@H](CO)[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21 ZINC001179217220 909420715 /nfs/dbraw/zinc/42/07/15/909420715.db2.gz WZUYEJXANPSOTN-OAHLLOKOSA-N 1 0 379.357 3.796 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000267307362 909445775 /nfs/dbraw/zinc/44/57/75/909445775.db2.gz BNLOVGMOUDXPGU-PGRDOPGGSA-N 1 0 376.504 3.610 20 30 GHEDRO C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000267314942 909448988 /nfs/dbraw/zinc/44/89/88/909448988.db2.gz IUQFTDFWAXZBKA-GOSISDBHSA-N 1 0 376.504 3.925 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001179285949 909449162 /nfs/dbraw/zinc/44/91/62/909449162.db2.gz UZNHJVOIFFHTPI-MRXNPFEDSA-N 1 0 378.538 3.559 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000267385752 909475433 /nfs/dbraw/zinc/47/54/33/909475433.db2.gz LJCLCFCHOZSMOY-UHFFFAOYSA-N 1 0 384.480 3.696 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001179367264 909509883 /nfs/dbraw/zinc/50/98/83/909509883.db2.gz WYZJYFGNWIDTEN-SFHVURJKSA-N 1 0 389.471 3.736 20 30 GHEDRO C#CCC[C@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC001179489157 909553570 /nfs/dbraw/zinc/55/35/70/909553570.db2.gz HBDSGUJKIOYRQU-IBGZPJMESA-N 1 0 388.305 3.892 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000795329220 909878486 /nfs/dbraw/zinc/87/84/86/909878486.db2.gz LRBUVZUPWYGAJF-UYAOXDASSA-N 1 0 377.488 3.564 20 30 GHEDRO CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F ZINC001181347493 910741983 /nfs/dbraw/zinc/74/19/83/910741983.db2.gz YVJOYGZLLRXECP-BPQIPLTHSA-N 1 0 377.479 3.833 20 30 GHEDRO CCC(CC)CN(CCC#N)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000270998960 910753009 /nfs/dbraw/zinc/75/30/09/910753009.db2.gz HGYUWYCIPUVTKJ-UHFFFAOYSA-N 1 0 385.552 3.683 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000639981969 910765093 /nfs/dbraw/zinc/76/50/93/910765093.db2.gz WWOMEFUZKAUSPN-UHFFFAOYSA-N 1 0 378.520 3.688 20 30 GHEDRO COc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1OCCCC#N ZINC000271091678 910779620 /nfs/dbraw/zinc/77/96/20/910779620.db2.gz LBDDQPYCNRNEBC-UHFFFAOYSA-N 1 0 393.487 3.641 20 30 GHEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271687002 911013700 /nfs/dbraw/zinc/01/37/00/911013700.db2.gz QPHRICUNEAKZDS-UZLBHIALSA-N 1 0 393.487 3.590 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1OCCCC#N ZINC000274303070 911297889 /nfs/dbraw/zinc/29/78/89/911297889.db2.gz SUDXNXRPSNSMEY-UZTOHYMASA-N 1 0 386.517 3.587 20 30 GHEDRO COc1ccccc1OCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000091899748 911327146 /nfs/dbraw/zinc/32/71/46/911327146.db2.gz XWFQDLCJWFSFCK-UHFFFAOYSA-N 1 0 390.487 3.983 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000092533794 911601996 /nfs/dbraw/zinc/60/19/96/911601996.db2.gz SSHDPLZJPOSSEY-UHFFFAOYSA-N 1 0 388.511 3.890 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC2(C)CC2)cc1 ZINC000284019622 911722848 /nfs/dbraw/zinc/72/28/48/911722848.db2.gz HZGICKIGGVGEDL-UHFFFAOYSA-O 1 0 388.944 3.774 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000774483885 911790378 /nfs/dbraw/zinc/79/03/78/911790378.db2.gz QIJXRRUCKVMIOM-IRXDYDNUSA-N 1 0 382.483 3.878 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)n3cc(N)c(=[NH2+])c(-c4cccc(F)c4)c3)c21 ZINC001182577979 911882749 /nfs/dbraw/zinc/88/27/49/911882749.db2.gz VGUKFUZBVJSFBC-UHFFFAOYSA-N 1 0 385.402 3.592 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000248399230 912054108 /nfs/dbraw/zinc/05/41/08/912054108.db2.gz OOLLUJBEJQLMSV-VAMGGRTRSA-N 1 0 377.573 3.795 20 30 GHEDRO N#CC1(CCC[NH2+][C@H](c2cncc(Br)c2)C2CC2)CCOCC1 ZINC000284852871 912056117 /nfs/dbraw/zinc/05/61/17/912056117.db2.gz RQTZRYXHBOZZFX-KRWDZBQOSA-N 1 0 378.314 3.985 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248415779 912069559 /nfs/dbraw/zinc/06/95/59/912069559.db2.gz OOOGPTRCWQYIKA-YQVWRLOYSA-N 1 0 378.476 3.762 20 30 GHEDRO C=CCSCC(=O)N1CCC[C@]2(C1)C[N@H+](C[C@H](CC)CCCC)CCO2 ZINC001273478001 912114395 /nfs/dbraw/zinc/11/43/95/912114395.db2.gz KEKSZYZTKGVRCJ-TZIWHRDSSA-N 1 0 382.614 3.815 20 30 GHEDRO C#C[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CCOCC1 ZINC001182989880 912175560 /nfs/dbraw/zinc/17/55/60/912175560.db2.gz MBXAMBLJMDFNLE-ZNBHLAFESA-N 1 0 376.541 3.573 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccnn1Cc1cccc(C(F)(F)F)c1 ZINC001183039595 912210645 /nfs/dbraw/zinc/21/06/45/912210645.db2.gz SSFFRUSBBMZRDR-UHFFFAOYSA-N 1 0 378.398 3.541 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)o3)CC2)C1=O ZINC001275571682 914898440 /nfs/dbraw/zinc/89/84/40/914898440.db2.gz NSHNMBCOIDSHJD-GOSISDBHSA-N 1 0 394.313 3.550 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000303721208 915086912 /nfs/dbraw/zinc/08/69/12/915086912.db2.gz XIEQRACWDPEECL-MRXNPFEDSA-N 1 0 376.888 3.895 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000303878298 915236545 /nfs/dbraw/zinc/23/65/45/915236545.db2.gz FXDJGHIROXLSFH-IRXDYDNUSA-N 1 0 395.551 3.747 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCc1ccc(OC)c(OC)c1OC ZINC000303879603 915237901 /nfs/dbraw/zinc/23/79/01/915237901.db2.gz JRUSBDZXZCNAMQ-UHFFFAOYSA-N 1 0 385.508 3.807 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000802011674 921756681 /nfs/dbraw/zinc/75/66/81/921756681.db2.gz RYYVMLVOGAFDTQ-QFIPXVFZSA-N 1 0 385.508 3.660 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000303882752 915296246 /nfs/dbraw/zinc/29/62/46/915296246.db2.gz IKQYXSATMADXFF-LJQANCHMSA-N 1 0 388.487 3.653 20 30 GHEDRO CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)c1 ZINC000303888189 915297956 /nfs/dbraw/zinc/29/79/56/915297956.db2.gz LGYHEDRTRAZNCG-ZDUSSCGKSA-N 1 0 388.899 3.804 20 30 GHEDRO CCOC(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000303887083 915298279 /nfs/dbraw/zinc/29/82/79/915298279.db2.gz ODPDFSMSICBBDG-UHFFFAOYSA-N 1 0 381.354 3.689 20 30 GHEDRO COc1cc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1O ZINC000303896489 915301731 /nfs/dbraw/zinc/30/17/31/915301731.db2.gz UNJMBLDFQFPKQN-JTQLQIEISA-N 1 0 398.290 3.882 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498453 915307813 /nfs/dbraw/zinc/30/78/13/915307813.db2.gz HKQKKDIYSZAEBO-HOCLYGCPSA-N 1 0 383.330 3.582 20 30 GHEDRO [NH2+]=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)CCC2 ZINC000303976223 915345449 /nfs/dbraw/zinc/34/54/49/915345449.db2.gz JYRXYVASDHNOQU-KRWDZBQOSA-N 1 0 379.382 3.534 20 30 GHEDRO CCc1noc(-c2ccc(CCNC(=[NH2+])Nc3ccc4c(c3)CCC4)cc2)n1 ZINC000303982774 915348367 /nfs/dbraw/zinc/34/83/67/915348367.db2.gz QPQJJABDFWSVNM-UHFFFAOYSA-N 1 0 375.476 3.757 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OC)c(OC3CCCC3)c2)cc1OC ZINC000303984574 915348619 /nfs/dbraw/zinc/34/86/19/915348619.db2.gz SGIUQHCEBAZUGE-UHFFFAOYSA-N 1 0 399.491 3.961 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cccc(Br)c3F)CC2)C1=O ZINC001275630539 915438901 /nfs/dbraw/zinc/43/89/01/915438901.db2.gz IFWGBEMTCSIUEU-UHFFFAOYSA-N 1 0 381.289 3.589 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC2CCC2)c1 ZINC000292309149 915612040 /nfs/dbraw/zinc/61/20/40/915612040.db2.gz LDUUXFHSRSUXLJ-UHFFFAOYSA-O 1 0 391.463 3.965 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000304744365 915669163 /nfs/dbraw/zinc/66/91/63/915669163.db2.gz DQOJDTGJGMTERQ-UHFFFAOYSA-N 1 0 396.535 3.545 20 30 GHEDRO CCc1nc(CN2CCC(C[NH+]=C(NCc3ccccc3)N(C)C)CC2)cs1 ZINC000304743503 915669248 /nfs/dbraw/zinc/66/92/48/915669248.db2.gz DCZNYBQHJMSNIN-UHFFFAOYSA-N 1 0 399.608 3.625 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCC[S@@](=O)Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000304762051 915700916 /nfs/dbraw/zinc/70/09/16/915700916.db2.gz VFARVPOHWPHZFU-YMXBGEKHSA-N 1 0 398.359 3.908 20 30 GHEDRO COc1cccc(O[C@@H](C)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000304810803 915722476 /nfs/dbraw/zinc/72/24/76/915722476.db2.gz WTGKUWJEAOCCME-LBPRGKRZSA-N 1 0 383.370 3.788 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3CC[C@H](Oc4ccc(Cl)cc4)C3)o2)cc1 ZINC000292967793 915926035 /nfs/dbraw/zinc/92/60/35/915926035.db2.gz GGNZNRXJMQNIDD-SFHVURJKSA-N 1 0 380.835 3.915 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000366901117 921804367 /nfs/dbraw/zinc/80/43/67/921804367.db2.gz AWTCDBZBELEHJW-HSZRJFAPSA-N 1 0 398.595 3.894 20 30 GHEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N(C)C)cc1 ZINC000305181962 915980633 /nfs/dbraw/zinc/98/06/33/915980633.db2.gz BPCHGZGQZBHDCU-MRXNPFEDSA-N 1 0 380.414 3.923 20 30 GHEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1 ZINC000775185345 916094798 /nfs/dbraw/zinc/09/47/98/916094798.db2.gz ZZNDWEIPCAXONT-KRWDZBQOSA-N 1 0 396.487 3.565 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3Br)C2)C1=O ZINC001275723102 916393342 /nfs/dbraw/zinc/39/33/42/916393342.db2.gz XKPFLNVKICYLTL-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCCO1 ZINC000775342474 917064710 /nfs/dbraw/zinc/06/47/10/917064710.db2.gz RQMRKVUAAFQXLK-JKSUJKDBSA-N 1 0 377.307 3.843 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)c1ccccc1 ZINC000775400782 917430805 /nfs/dbraw/zinc/43/08/05/917430805.db2.gz MIUFENYBWLHRMR-KRWDZBQOSA-N 1 0 384.501 3.834 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1OC ZINC000775408396 917544472 /nfs/dbraw/zinc/54/44/72/917544472.db2.gz JWQHYKMKUDAFJX-RGCFKVTRSA-N 1 0 378.563 3.845 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796465979 917558175 /nfs/dbraw/zinc/55/81/75/917558175.db2.gz OSLYNQMQDGIDGS-FQEVSTJZSA-N 1 0 393.487 3.705 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000796466786 917562040 /nfs/dbraw/zinc/56/20/40/917562040.db2.gz PAKIEVZHADCZOZ-OAQYLSRUSA-N 1 0 393.487 3.727 20 30 GHEDRO C=CCC1(S(=O)(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001190783996 917563900 /nfs/dbraw/zinc/56/39/00/917563900.db2.gz PDSXUBCPCNVUCH-UHOSZYNNSA-N 1 0 394.606 3.719 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000775419779 917610942 /nfs/dbraw/zinc/61/09/42/917610942.db2.gz BDSJSHYYTDAYKO-GWJPWWOOSA-N 1 0 398.466 3.591 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1(C)C ZINC000296133415 917887450 /nfs/dbraw/zinc/88/74/50/917887450.db2.gz SLOWXPJDWHLNGZ-QGZVFWFLSA-N 1 0 375.538 3.574 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001275840075 918394495 /nfs/dbraw/zinc/39/44/95/918394495.db2.gz BTQWBQYXOVOIED-BLGFXRMMSA-N 1 0 376.463 3.769 20 30 GHEDRO C#CCN1C[C@]2(CC1=O)CCCCN2Cc1sc(NC(C)(C)C)nc1Cl ZINC001275868182 918966563 /nfs/dbraw/zinc/96/65/63/918966563.db2.gz OZYKJCGNTIMXGE-LJQANCHMSA-N 1 0 394.972 3.597 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113901697 919382426 /nfs/dbraw/zinc/38/24/26/919382426.db2.gz DEBPSVZNSVKHCB-PKOBYXMFSA-N 1 0 394.519 3.977 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)C(N)=O)cc1 ZINC000115595203 919457113 /nfs/dbraw/zinc/45/71/13/919457113.db2.gz BSGKCQAKSGSTML-URXFXBBRSA-N 1 0 394.478 3.988 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000116415146 919506218 /nfs/dbraw/zinc/50/62/18/919506218.db2.gz GCPXQERMLJGWJJ-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cc1ccc(C#N)cc1 ZINC000116453232 919509988 /nfs/dbraw/zinc/50/99/88/919509988.db2.gz KMGHFQVDQYTKDD-QFIPXVFZSA-N 1 0 375.516 3.690 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000119792876 919654855 /nfs/dbraw/zinc/65/48/55/919654855.db2.gz MYPYIHHEMLRGJR-SFHVURJKSA-N 1 0 383.879 3.620 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000800778084 920450873 /nfs/dbraw/zinc/45/08/73/920450873.db2.gz XZKFKNAVBSXWRP-UHFFFAOYSA-N 1 0 388.947 3.738 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)s3)CC2)C1=O ZINC001275980612 920700367 /nfs/dbraw/zinc/70/03/67/920700367.db2.gz SYEHJQLLBJDBOS-QGZVFWFLSA-N 1 0 383.355 3.901 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000367132222 921937261 /nfs/dbraw/zinc/93/72/61/921937261.db2.gz ZKJKWZJOTXAJBW-OAQYLSRUSA-N 1 0 376.504 3.548 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)NCC(C)(C)CCC#N)CC[N@@H+]2C2CC2)c1 ZINC000367587804 922217402 /nfs/dbraw/zinc/21/74/02/922217402.db2.gz KAFXKCDKBKITJH-VQTJNVASSA-N 1 0 384.524 3.602 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000802713461 922352706 /nfs/dbraw/zinc/35/27/06/922352706.db2.gz LQWXUAMUFPOXKK-CQSZACIVSA-N 1 0 385.430 3.730 20 30 GHEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903011373 922708572 /nfs/dbraw/zinc/70/85/72/922708572.db2.gz DORSEPKTWINPLF-GDBMZVCRSA-N 1 0 388.309 3.526 20 30 GHEDRO CCCc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000368953634 923005040 /nfs/dbraw/zinc/00/50/40/923005040.db2.gz KGHMSQGIICETMW-AEFFLSMTSA-N 1 0 394.523 3.643 20 30 GHEDRO C[NH+]1CCC(OCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)CC1 ZINC000903620355 923132285 /nfs/dbraw/zinc/13/22/85/923132285.db2.gz NYOORQMFOFZCDS-UHFFFAOYSA-N 1 0 397.906 3.856 20 30 GHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000749108326 924025879 /nfs/dbraw/zinc/02/58/79/924025879.db2.gz GHHYLIIYEPAFPV-QGZVFWFLSA-N 1 0 387.505 3.984 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000826719429 924101299 /nfs/dbraw/zinc/10/12/99/924101299.db2.gz JCEDFQVHUSIXIN-UHFFFAOYSA-N 1 0 385.870 3.993 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1O2 ZINC000370580121 924185403 /nfs/dbraw/zinc/18/54/03/924185403.db2.gz QGJVRVOAGRHMOS-IBGZPJMESA-N 1 0 395.890 3.930 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1 ZINC000371422646 924575143 /nfs/dbraw/zinc/57/51/43/924575143.db2.gz NFWBTEKNZIUVQU-ZHRRBRCNSA-N 1 0 375.472 3.925 20 30 GHEDRO N#CC1(NC(=O)Cc2ccc(F)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000371543236 924650294 /nfs/dbraw/zinc/65/02/94/924650294.db2.gz NJIOWXPTPKTALM-UHFFFAOYSA-N 1 0 385.870 3.696 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3c(F)ccc(Cl)c3F)CC2)C1=O ZINC001276053282 924910581 /nfs/dbraw/zinc/91/05/81/924910581.db2.gz KEDDWYZOURDWIO-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO C=CCOCCNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000679479775 925155635 /nfs/dbraw/zinc/15/56/35/925155635.db2.gz LMBQSBGNPVIIFR-UHFFFAOYSA-N 1 0 393.531 3.951 20 30 GHEDRO Cn1cc([C@H]2C[N@H+](CCCC(C)(C)C#N)CCN2CCCC(C)(C)C#N)cn1 ZINC000372345396 925351126 /nfs/dbraw/zinc/35/11/26/925351126.db2.gz GGANSVLJSQCARL-HXUWFJFHSA-N 1 0 384.572 3.739 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(F)c1 ZINC000372823862 925730589 /nfs/dbraw/zinc/73/05/89/925730589.db2.gz YJWBMVXXVHCZFX-XMSQKQJNSA-N 1 0 389.434 3.696 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ncc(C#N)cc1Cl ZINC000410572130 925739423 /nfs/dbraw/zinc/73/94/23/925739423.db2.gz LMJSUJSWPHZCNQ-UHFFFAOYSA-N 1 0 376.913 3.652 20 30 GHEDRO CN(C(=O)c1ccc(Br)cc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410570703 925739949 /nfs/dbraw/zinc/73/99/49/925739949.db2.gz DQXYKQMSWFQLJD-GOSISDBHSA-N 1 0 398.304 3.667 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1)C1CCOCC1 ZINC000827571192 925823027 /nfs/dbraw/zinc/82/30/27/925823027.db2.gz WCCVOXHXWUDSGM-NRFANRHFSA-N 1 0 375.472 3.959 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(F)c(F)cc3Br)C2)C1=O ZINC001276145428 926001892 /nfs/dbraw/zinc/00/18/92/926001892.db2.gz DDULWFVVXHNYCY-SFHVURJKSA-N 1 0 399.279 3.728 20 30 GHEDRO N#CC[C@H](CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000373389212 926075683 /nfs/dbraw/zinc/07/56/83/926075683.db2.gz CJLTVQUJAOKAJT-HXUWFJFHSA-N 1 0 379.479 3.994 20 30 GHEDRO N#CC1(CC[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCCCC1 ZINC000411227608 926235883 /nfs/dbraw/zinc/23/58/83/926235883.db2.gz VJTVQGBKHZPEIE-JOCHJYFZSA-N 1 0 395.595 3.780 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C1CCOCC1 ZINC000411477514 926433215 /nfs/dbraw/zinc/43/32/15/926433215.db2.gz IKSPMHCAHBPJMR-KBXCAEBGSA-N 1 0 389.565 3.868 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000725840745 926464542 /nfs/dbraw/zinc/46/45/42/926464542.db2.gz MAKNZEPIYRUDSJ-KRWDZBQOSA-N 1 0 381.561 3.617 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@]3(C)CCO[C@H]3C3CC3)sc2C1 ZINC000411513500 926469372 /nfs/dbraw/zinc/46/93/72/926469372.db2.gz PFBSTYDABLIRPM-YIILKADPSA-N 1 0 387.549 3.620 20 30 GHEDRO COc1ccccc1C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000411517675 926486268 /nfs/dbraw/zinc/48/62/68/926486268.db2.gz NGSHXRPIPGMTIN-QZTJIDSGSA-N 1 0 383.517 3.591 20 30 GHEDRO COc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000726449842 926671726 /nfs/dbraw/zinc/67/17/26/926671726.db2.gz KUMSCEBHVHDDCY-UHFFFAOYSA-N 1 0 398.507 3.611 20 30 GHEDRO C[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000726456958 926677462 /nfs/dbraw/zinc/67/74/62/926677462.db2.gz MIBLPBDYDOEQHT-CQSZACIVSA-N 1 0 384.936 3.945 20 30 GHEDRO C[C@](CO)([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000411794400 926777905 /nfs/dbraw/zinc/77/79/05/926777905.db2.gz CXBGXYVEHRMFBC-LJQANCHMSA-N 1 0 392.286 3.691 20 30 GHEDRO CC(C)O[C@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000411808704 926803448 /nfs/dbraw/zinc/80/34/48/926803448.db2.gz SKBLNNACYXITPQ-IRXDYDNUSA-N 1 0 375.538 3.619 20 30 GHEDRO COc1cc(Cl)c(C[N@@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)c(Cl)c1 ZINC001276180997 926857810 /nfs/dbraw/zinc/85/78/10/926857810.db2.gz PTXHJEFMIUAAKC-LJQANCHMSA-N 1 0 396.318 3.730 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)c2)c1 ZINC000374282968 926976490 /nfs/dbraw/zinc/97/64/90/926976490.db2.gz KEBMDEPDYSHOBH-GMAHTHKFSA-N 1 0 378.472 3.565 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCc3cc(C#N)ccc3F)cc2)CC1 ZINC000749282211 927033039 /nfs/dbraw/zinc/03/30/39/927033039.db2.gz HHAPBOQZSKXWEC-UHFFFAOYSA-N 1 0 381.451 3.585 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H](CO)[C@@H]2C)c1C#N ZINC000412065565 927052117 /nfs/dbraw/zinc/05/21/17/927052117.db2.gz CUZHAHNYYJUPTF-ROUUACIJSA-N 1 0 386.540 3.513 20 30 GHEDRO CCOC(=O)CCC1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000749550917 927185107 /nfs/dbraw/zinc/18/51/07/927185107.db2.gz LLJFVRYFVWRNMN-UHFFFAOYSA-N 1 0 399.535 3.605 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000749586121 927203487 /nfs/dbraw/zinc/20/34/87/927203487.db2.gz AEUCUVHYQQYZHE-WIYYLYMNSA-N 1 0 387.568 3.751 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)c1ccccc1 ZINC000750615273 927752480 /nfs/dbraw/zinc/75/24/80/927752480.db2.gz INOSICMBQWTHRH-FYYLOGMGSA-N 1 0 377.488 3.521 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750860201 927901531 /nfs/dbraw/zinc/90/15/31/927901531.db2.gz SLDMHRCEIUYPJL-QETWGEEDSA-N 1 0 383.536 3.875 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000413133053 928242126 /nfs/dbraw/zinc/24/21/26/928242126.db2.gz HCAHCBDSPIYEQU-QFIPXVFZSA-N 1 0 378.520 3.533 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000413174923 928289763 /nfs/dbraw/zinc/28/97/63/928289763.db2.gz JCLMRZSNJPLKHR-OAQYLSRUSA-N 1 0 391.515 3.793 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000413259696 928373079 /nfs/dbraw/zinc/37/30/79/928373079.db2.gz QPCXBFWYFFOJTB-NRFANRHFSA-N 1 0 399.579 3.897 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)n2)c1 ZINC000466986666 928568438 /nfs/dbraw/zinc/56/84/38/928568438.db2.gz XUMKVOXFTFCVOV-UHFFFAOYSA-N 1 0 399.498 3.660 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC[C@H]3CCCO3)sc2C1 ZINC000467162581 928774116 /nfs/dbraw/zinc/77/41/16/928774116.db2.gz YWCPTEGSAZLGPX-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](CCCc1cccc(Br)c1)CC2 ZINC001276273307 929096584 /nfs/dbraw/zinc/09/65/84/929096584.db2.gz JEYAPXIVVVTJCR-SFHVURJKSA-N 1 0 391.353 3.786 20 30 GHEDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000544582865 929310029 /nfs/dbraw/zinc/31/00/29/929310029.db2.gz FKMWXEOPLAFXIZ-UHFFFAOYSA-N 1 0 384.455 3.692 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000467759006 929379952 /nfs/dbraw/zinc/37/99/52/929379952.db2.gz LFYAGBGHFYNULS-PZJWPPBQSA-N 1 0 386.584 3.895 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)CC1(C#N)CCCC1 ZINC000544748365 929534030 /nfs/dbraw/zinc/53/40/30/929534030.db2.gz QLKBLWSAZNAXLQ-GOSISDBHSA-N 1 0 389.565 3.564 20 30 GHEDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000757196821 929674095 /nfs/dbraw/zinc/67/40/95/929674095.db2.gz WSCICSUFGZPIAB-HXUWFJFHSA-N 1 0 378.520 3.674 20 30 GHEDRO C[C@H]1CC(N=Nc2nc(Br)cn3ccnc23)C[N@@H+]1Cc1ccccc1 ZINC000757585188 929736561 /nfs/dbraw/zinc/73/65/61/929736561.db2.gz YQCBPHSZZSEIDB-ZDUSSCGKSA-N 1 0 399.296 3.554 20 30 GHEDRO C#CC[C@H](NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccccc1 ZINC000757602237 929739985 /nfs/dbraw/zinc/73/99/85/929739985.db2.gz ANGUFGXOYFIHBJ-QHCPKHFHSA-N 1 0 375.516 3.711 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000757638538 929754511 /nfs/dbraw/zinc/75/45/11/929754511.db2.gz LZGMTXYEZMJKQJ-KSFYIVLOSA-N 1 0 389.499 3.989 20 30 GHEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469367864 929826416 /nfs/dbraw/zinc/82/64/16/929826416.db2.gz RPDYFPGIJLDZJI-UHFFFAOYSA-N 1 0 396.535 3.564 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCOCC2(CCC2)C1 ZINC000546104162 929856145 /nfs/dbraw/zinc/85/61/45/929856145.db2.gz MNSKCAWGGVZSFX-HNNXBMFYSA-N 1 0 387.549 3.718 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1[NH+](C)C ZINC000546127303 929880196 /nfs/dbraw/zinc/88/01/96/929880196.db2.gz BSDGCHIBXCWVMZ-VQTJNVASSA-N 1 0 396.516 3.860 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000758191751 929967247 /nfs/dbraw/zinc/96/72/47/929967247.db2.gz MVJWTIMMRPTQSA-LAUBAEHRSA-N 1 0 394.515 3.825 20 30 GHEDRO C#CCNC(=S)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C ZINC000758219054 929978269 /nfs/dbraw/zinc/97/82/69/929978269.db2.gz ZSRJCGBJESZMLK-KRWDZBQOSA-N 1 0 386.392 3.889 20 30 GHEDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000469550796 929983651 /nfs/dbraw/zinc/98/36/51/929983651.db2.gz ZDXKTCYGBFMWOB-OAHLLOKOSA-N 1 0 379.342 3.595 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC(C[NH3+])CC2)cc1OCC ZINC000469837247 930193485 /nfs/dbraw/zinc/19/34/85/930193485.db2.gz XXMJQTAJCCDDQS-UHFFFAOYSA-N 1 0 383.330 3.583 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(CC)cc1 ZINC000759050358 930257455 /nfs/dbraw/zinc/25/74/55/930257455.db2.gz KLOXOWWWYBHLSY-UHFFFAOYSA-O 1 0 375.876 3.763 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000546710715 930373691 /nfs/dbraw/zinc/37/36/91/930373691.db2.gz BCIDWLVYJMPIFR-UHFFFAOYSA-N 1 0 378.476 3.874 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@H]1C ZINC000470202890 930449931 /nfs/dbraw/zinc/44/99/31/930449931.db2.gz MVYSUEUUWKXOAB-QZTJIDSGSA-N 1 0 390.959 3.700 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780364763 930499593 /nfs/dbraw/zinc/49/95/93/930499593.db2.gz GSMISWOBUFBLSK-PXNSSMCTSA-N 1 0 398.466 3.625 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781211381 930742921 /nfs/dbraw/zinc/74/29/21/930742921.db2.gz KPEAKZDUYXGZLT-RDJZCZTQSA-N 1 0 380.492 3.633 20 30 GHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000470757595 930887374 /nfs/dbraw/zinc/88/73/74/930887374.db2.gz TZCXMWLTALYFSB-HSZRJFAPSA-N 1 0 386.499 3.543 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000547416867 930997203 /nfs/dbraw/zinc/99/72/03/930997203.db2.gz PHEOGSYWTXLLBY-KRWDZBQOSA-N 1 0 378.476 3.695 20 30 GHEDRO CO[C@@]1(C(F)(F)F)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983087 931050835 /nfs/dbraw/zinc/05/08/35/931050835.db2.gz FBALOMIIFDNRET-LPHOPBHVSA-N 1 0 397.441 3.674 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCc2ccccc21 ZINC000782479823 931236673 /nfs/dbraw/zinc/23/66/73/931236673.db2.gz AWECYSSYTOZKIK-FQEVSTJZSA-N 1 0 381.407 3.685 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000782506320 931246435 /nfs/dbraw/zinc/24/64/35/931246435.db2.gz WGEUHUVMXKGQOU-MOPGFXCFSA-N 1 0 385.508 3.801 20 30 GHEDRO COc1ccc([C@H](CNc2nc3cc(Cl)ccn3c2C#N)[NH+](C)C)cc1OC ZINC000557477488 931459990 /nfs/dbraw/zinc/45/99/90/931459990.db2.gz RMESVBGMCNOLGH-INIZCTEOSA-N 1 0 399.882 3.591 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCCn1ccnc1 ZINC000924734246 931519324 /nfs/dbraw/zinc/51/93/24/931519324.db2.gz ZSWQRSLMYPJBIM-GOSISDBHSA-N 1 0 389.544 3.572 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000925561409 931823229 /nfs/dbraw/zinc/82/32/29/931823229.db2.gz BMBGJNKVNBMSNI-QZTJIDSGSA-N 1 0 391.556 3.997 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2cccs2)C(C)(C)CO)c(C#N)c1C ZINC000558399552 931980756 /nfs/dbraw/zinc/98/07/56/931980756.db2.gz XEFRHYYQCBBFAX-MRXNPFEDSA-N 1 0 377.535 3.586 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558451798 932008549 /nfs/dbraw/zinc/00/85/49/932008549.db2.gz DWYLBUXBMZOHJH-HXUWFJFHSA-N 1 0 391.519 3.553 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558451794 932008835 /nfs/dbraw/zinc/00/88/35/932008835.db2.gz DWYLBUXBMZOHJH-FQEVSTJZSA-N 1 0 391.519 3.553 20 30 GHEDRO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000558493077 932032982 /nfs/dbraw/zinc/03/29/82/932032982.db2.gz JWASTFNMSVAURV-UHFFFAOYSA-N 1 0 389.455 3.839 20 30 GHEDRO CC(C)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000796770945 932061611 /nfs/dbraw/zinc/06/16/11/932061611.db2.gz GHIATDKBVLEMRH-HXUWFJFHSA-N 1 0 386.540 3.666 20 30 GHEDRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n(C)n1 ZINC000926236366 932094204 /nfs/dbraw/zinc/09/42/04/932094204.db2.gz NLCVPGSZPANRBO-OVFPNMQZSA-N 1 0 393.535 3.686 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926344456 932140196 /nfs/dbraw/zinc/14/01/96/932140196.db2.gz WRKQDWNFJMDALN-OTWHNJEPSA-N 1 0 391.556 3.877 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000558675245 932157877 /nfs/dbraw/zinc/15/78/77/932157877.db2.gz DJENPYHUWNXWSV-IBGZPJMESA-N 1 0 380.540 3.619 20 30 GHEDRO C[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)c1ccc(C#N)cc1 ZINC000558743735 932206588 /nfs/dbraw/zinc/20/65/88/932206588.db2.gz ZGDDCUBJNKFTMV-ZDUSSCGKSA-N 1 0 377.517 3.917 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[C@@H]2CCOC2)cc1C#N ZINC000926959903 932364740 /nfs/dbraw/zinc/36/47/40/932364740.db2.gz CRFHRYLYNMMXBF-HLAWJBBLSA-N 1 0 399.535 3.618 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000559008931 932369803 /nfs/dbraw/zinc/36/98/03/932369803.db2.gz HRNVSMROXZETMI-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)ccc1C#N ZINC000799339870 932957614 /nfs/dbraw/zinc/95/76/14/932957614.db2.gz WMYLUSJSUGTRKJ-HSZRJFAPSA-N 1 0 388.467 3.969 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000559964843 932984229 /nfs/dbraw/zinc/98/42/29/932984229.db2.gz OLACWZOUYKADRA-SFHVURJKSA-N 1 0 383.496 3.548 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1coc(C(C)C)n1 ZINC000799469420 933017068 /nfs/dbraw/zinc/01/70/68/933017068.db2.gz OXZYGGBZHQRQOX-UHFFFAOYSA-N 1 0 399.564 3.651 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C)c(C#N)c3)CC2)cc1 ZINC000799587555 933052664 /nfs/dbraw/zinc/05/26/64/933052664.db2.gz CGEXCWYHBPVESL-UHFFFAOYSA-N 1 0 377.488 3.517 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C)c(C#N)c1 ZINC000799713612 933097949 /nfs/dbraw/zinc/09/79/49/933097949.db2.gz UBXUTWXMTMRGTD-NRFANRHFSA-N 1 0 377.488 3.699 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000799943633 933181350 /nfs/dbraw/zinc/18/13/50/933181350.db2.gz VWBSUMBIJYHJRO-UHFFFAOYSA-N 1 0 398.514 3.610 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)s2)CC1 ZINC000560473139 933276931 /nfs/dbraw/zinc/27/69/31/933276931.db2.gz QUUZRNAUZQEHDN-UHFFFAOYSA-N 1 0 375.881 3.998 20 30 GHEDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC001116345987 933497485 /nfs/dbraw/zinc/49/74/85/933497485.db2.gz KEPOYXBJMYULHW-GOSISDBHSA-N 1 0 397.910 3.820 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H](C#N)CCc3ccccc3)cc2)CC1 ZINC000560820390 933585943 /nfs/dbraw/zinc/58/59/43/933585943.db2.gz BAOBIEICDYAVFK-OAQYLSRUSA-N 1 0 391.515 3.548 20 30 GHEDRO C[NH+](C)CC(C)(C)CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000560987892 933758503 /nfs/dbraw/zinc/75/85/03/933758503.db2.gz AFPIOMCGIFZKRI-UHFFFAOYSA-N 1 0 390.959 3.522 20 30 GHEDRO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(CC#N)cc2)[NH+](CC)CC)cc1 ZINC001117733901 933999314 /nfs/dbraw/zinc/99/93/14/933999314.db2.gz QWDNVQFNKKXQFV-JOCHJYFZSA-N 1 0 399.560 3.676 20 30 GHEDRO N#Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001118201057 934106698 /nfs/dbraw/zinc/10/66/98/934106698.db2.gz QYAXWRDZHNICDZ-IHWFROFDSA-N 1 0 375.476 3.660 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC001118580472 934203546 /nfs/dbraw/zinc/20/35/46/934203546.db2.gz MNVPHVCJJKGGGT-SIKLNZKXSA-N 1 0 391.515 3.560 20 30 GHEDRO C=CC1(CC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC001119811056 934398657 /nfs/dbraw/zinc/39/86/57/934398657.db2.gz VWTDQAYVPJHECK-SFHVURJKSA-N 1 0 393.572 3.570 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)C12CCC2 ZINC000931184989 934423029 /nfs/dbraw/zinc/42/30/29/934423029.db2.gz IBMYXRBTGIHIOX-QGZVFWFLSA-N 1 0 377.529 3.609 20 30 GHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H](C)C1 ZINC000561760006 934428176 /nfs/dbraw/zinc/42/81/76/934428176.db2.gz FSIJACVSJUPSNX-FIKGOQFSSA-N 1 0 390.487 3.548 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000561919287 934559766 /nfs/dbraw/zinc/55/97/66/934559766.db2.gz ZDJOGIDWJDNGCB-NRFANRHFSA-N 1 0 399.922 3.917 20 30 GHEDRO Cn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001121428518 934655029 /nfs/dbraw/zinc/65/50/29/934655029.db2.gz UJYYBFMWJUGKAK-FQEVSTJZSA-N 1 0 376.508 3.677 20 30 GHEDRO C=CCn1c([C@@H]2[C@H]3CCCO[C@H]32)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001121473844 934667051 /nfs/dbraw/zinc/66/70/51/934667051.db2.gz KZRZMIACVSMQGX-VAMGGRTRSA-N 1 0 399.583 3.591 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC(O)(CC=C)CC1 ZINC001121495491 934674162 /nfs/dbraw/zinc/67/41/62/934674162.db2.gz IWUAVTRXRUIXDZ-FQEVSTJZSA-N 1 0 399.583 3.841 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C#N)c(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000562092568 934690342 /nfs/dbraw/zinc/69/03/42/934690342.db2.gz WEFZTVRJXYYNTR-NHCUHLMSSA-N 1 0 394.450 3.805 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001121595047 934710450 /nfs/dbraw/zinc/71/04/50/934710450.db2.gz HPVUNBRSBGKLIV-JBACZVJFSA-N 1 0 399.583 3.939 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC(OCC)CC1 ZINC001121595194 934710555 /nfs/dbraw/zinc/71/05/55/934710555.db2.gz MBDXIQWECOGINH-FQEVSTJZSA-N 1 0 387.572 3.939 20 30 GHEDRO C=CCn1c(-c2cncc3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121651144 934726718 /nfs/dbraw/zinc/72/67/18/934726718.db2.gz LUGHZXGELOIZPL-UHFFFAOYSA-N 1 0 376.508 3.646 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H](CCC)C1 ZINC001121730853 934749738 /nfs/dbraw/zinc/74/97/38/934749738.db2.gz GCEHZQBPVLYAKA-UYAOXDASSA-N 1 0 387.572 3.797 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)cc1 ZINC000931946809 934773880 /nfs/dbraw/zinc/77/38/80/934773880.db2.gz KBNOFNKJZARZLQ-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)CCC#N)n2CCc2ccccc2)CC1 ZINC001122214024 934844294 /nfs/dbraw/zinc/84/42/94/934844294.db2.gz CAPGULHCYAVXGZ-FQEVSTJZSA-N 1 0 394.567 3.849 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000932235729 934856665 /nfs/dbraw/zinc/85/66/65/934856665.db2.gz UTVWGLNQVOHFLZ-FUHWJXTLSA-N 1 0 394.441 3.535 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@H](C)CCC ZINC001122374336 934858545 /nfs/dbraw/zinc/85/85/45/934858545.db2.gz MSWRUSOPZCKHRL-IEBWSBKVSA-N 1 0 375.561 3.795 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001122481892 934879947 /nfs/dbraw/zinc/87/99/47/934879947.db2.gz IIKIPOBNJQUQIR-QHCPKHFHSA-N 1 0 397.567 3.645 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001122602110 934915751 /nfs/dbraw/zinc/91/57/51/934915751.db2.gz MUZUIVJWIVPSGQ-HMXCVIKNSA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCC[C@H]1CCCN1c1nnc([C@H]2CCC[N@@H+]2C2CCOCC2)n1CC1CC1 ZINC001123540888 935221105 /nfs/dbraw/zinc/22/11/05/935221105.db2.gz DMGDDIKZPGCKNN-PZJWPPBQSA-N 1 0 399.583 3.939 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000829191458 935778395 /nfs/dbraw/zinc/77/83/95/935778395.db2.gz GCPGUBURKCKQCT-BDTNDASRSA-N 1 0 392.499 3.649 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccc(-c3cncnc3)c1)CCO2 ZINC001137767255 935779376 /nfs/dbraw/zinc/77/93/76/935779376.db2.gz LVWCURICDATHMV-XZOQPEGZSA-N 1 0 379.504 3.717 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000829649760 935839204 /nfs/dbraw/zinc/83/92/04/935839204.db2.gz GMWGSZJQJDIUKD-YOEHRIQHSA-N 1 0 393.915 3.977 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)cc1 ZINC001137904211 935858099 /nfs/dbraw/zinc/85/80/99/935858099.db2.gz RQAYCNQHDIQMOE-QHCPKHFHSA-N 1 0 375.472 3.998 20 30 GHEDRO C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830859757 979022778 /nfs/dbraw/zinc/02/27/78/979022778.db2.gz JTJITZXBZBIHOZ-QFIPXVFZSA-N 1 0 389.455 3.699 20 30 GHEDRO N#CC1(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCCC1 ZINC000545357396 1015806480 /nfs/dbraw/zinc/80/64/80/1015806480.db2.gz GGGIOEOOXAIBHQ-UHFFFAOYSA-N 1 0 389.565 3.566 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000545385747 1015830595 /nfs/dbraw/zinc/83/05/95/1015830595.db2.gz NWFCSCWRAMJIJM-ICSRJNTNSA-N 1 0 389.565 3.558 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000470624128 1016842311 /nfs/dbraw/zinc/84/23/11/1016842311.db2.gz IPBCOVGOAQLDAV-QGZVFWFLSA-N 1 0 385.533 3.758 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C#N)cc1OC)c1cccc(OC)c1 ZINC000547414361 1016916370 /nfs/dbraw/zinc/91/63/70/1016916370.db2.gz AFACWQCVOUXPBI-HXUWFJFHSA-N 1 0 396.491 3.780 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000924639787 1017002199 /nfs/dbraw/zinc/00/21/99/1017002199.db2.gz MYNLAUJQXSDKSV-KRWDZBQOSA-N 1 0 382.508 3.967 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000557848800 1017057685 /nfs/dbraw/zinc/05/76/85/1017057685.db2.gz KDHHEUFWGMSGSE-OAQYLSRUSA-N 1 0 378.520 3.692 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001226900892 1032183706 /nfs/dbraw/zinc/18/37/06/1032183706.db2.gz BEXCMUNKZFRDPA-HSZRJFAPSA-N 1 0 377.532 3.988 20 30 GHEDRO N#Cc1ccc(CN(C(=O)[C@@H]2CCc3ccccc3N2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221185928 1032321067 /nfs/dbraw/zinc/32/10/67/1032321067.db2.gz KFNNHFGXHDMZDT-FUDKSRODSA-N 1 0 388.515 3.584 20 30 GHEDRO C[NH+](C)C[C@H]1COCCN1c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001154975652 1032364837 /nfs/dbraw/zinc/36/48/37/1032364837.db2.gz DWEVNSPTXAXNET-KRWDZBQOSA-N 1 0 378.501 3.602 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccnc(OCC)c3Cl)CC2)C1=O ZINC001277213857 1032438793 /nfs/dbraw/zinc/43/87/93/1032438793.db2.gz RCMWUTOTRONPOP-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155545594 1032575410 /nfs/dbraw/zinc/57/54/10/1032575410.db2.gz WTGJWUJXMUOPJG-HYBUGGRVSA-N 1 0 382.467 3.830 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cnnn2-c2ccccc2)ccc1OC ZINC000925397860 1017077608 /nfs/dbraw/zinc/07/76/08/1017077608.db2.gz RRXZRNPCXJVEPK-VQIMIIECSA-N 1 0 391.475 3.808 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000560448920 1017632049 /nfs/dbraw/zinc/63/20/49/1017632049.db2.gz GBKCQCSCSXTMIH-INIZCTEOSA-N 1 0 383.883 3.592 20 30 GHEDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932166686 1018125419 /nfs/dbraw/zinc/12/54/19/1018125419.db2.gz ZQVWPTQSNDXQJC-SJORKVTESA-N 1 0 378.476 3.503 20 30 GHEDRO N#CCCc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000932580593 1018485045 /nfs/dbraw/zinc/48/50/45/1018485045.db2.gz BBXLSTMSPTUOTO-UHFFFAOYSA-N 1 0 376.504 3.971 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000562795263 1018650900 /nfs/dbraw/zinc/65/09/00/1018650900.db2.gz NYFPAWLCTUFUOI-FQEVSTJZSA-N 1 0 378.524 3.852 20 30 GHEDRO CC1(C)OC[C@H](CC[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 ZINC000932945526 1018777651 /nfs/dbraw/zinc/77/76/51/1018777651.db2.gz YWTARCJOYSMDSA-LPEHRKFASA-N 1 0 397.306 3.631 20 30 GHEDRO N#CC(CC[NH+]1CCC2(CC1)C[C@H](O)CCO2)(c1ccccc1)c1ccccc1 ZINC000933057313 1018823359 /nfs/dbraw/zinc/82/33/59/1018823359.db2.gz NTKZPGTXJSRTHN-HSZRJFAPSA-N 1 0 390.527 3.892 20 30 GHEDRO Cc1nc(COC[C@@H]2CCC[C@@]23CN(Cc2ccccc2C#N)CCO3)cs1 ZINC001204367232 1032808817 /nfs/dbraw/zinc/80/88/17/1032808817.db2.gz CSQPGORZEWXJMN-RBBKRZOGSA-N 1 0 397.544 3.911 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001204367651 1032809285 /nfs/dbraw/zinc/80/92/85/1032809285.db2.gz OBCLEKOUIICDDV-ISKFKSNPSA-N 1 0 389.499 3.502 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4ccc(F)cc4Cl)CCCC3)cnc12 ZINC000564984880 1019136975 /nfs/dbraw/zinc/13/69/75/1019136975.db2.gz CNDQABSWEHHHAZ-UHFFFAOYSA-N 1 0 383.858 3.995 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)c1ccco1 ZINC001228192842 1032832319 /nfs/dbraw/zinc/83/23/19/1032832319.db2.gz ZLTXNWKOEINYDA-LPHOPBHVSA-N 1 0 382.508 3.901 20 30 GHEDRO C#CC[C@H](NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000778719837 1019513295 /nfs/dbraw/zinc/51/32/95/1019513295.db2.gz UJKOHYQWSURTIL-PTUXOGIPSA-N 1 0 375.516 3.961 20 30 GHEDRO Cc1cccc([C@H]2CCCCCN2CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000571919566 1019726024 /nfs/dbraw/zinc/72/60/24/1019726024.db2.gz IDFHJBZKSXBEJM-HXUWFJFHSA-N 1 0 383.517 3.653 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000572803471 1019804194 /nfs/dbraw/zinc/80/41/94/1019804194.db2.gz PNFQJWWANMYADE-OXJNMPFZSA-N 1 0 378.524 3.779 20 30 GHEDRO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1F ZINC001204429413 1032861273 /nfs/dbraw/zinc/86/12/73/1032861273.db2.gz SNKDWJYLFYVGAT-OLZOCXBDSA-N 1 0 375.284 3.813 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576837940 1020075400 /nfs/dbraw/zinc/07/54/00/1020075400.db2.gz RRNZQIQIDZPTGM-JOCHJYFZSA-N 1 0 380.536 3.891 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000577453801 1020192251 /nfs/dbraw/zinc/19/22/51/1020192251.db2.gz ZXENOYJLSGSMBD-WMTXJRDZSA-N 1 0 378.516 3.883 20 30 GHEDRO Cc1ccc([C@H](Cn2ccnc2)NC(=O)NCc2ccc(CC#N)cc2)c(C)c1 ZINC000577488259 1020208721 /nfs/dbraw/zinc/20/87/21/1020208721.db2.gz RHPNZDHFKXFRMB-QFIPXVFZSA-N 1 0 387.487 3.807 20 30 GHEDRO CC(C)[C@@](C)([NH2+]CCC(=O)N(C)CCC#N)c1ccc(Br)cc1 ZINC000192373413 1020866942 /nfs/dbraw/zinc/86/69/42/1020866942.db2.gz GUZKTNCIKUTYRC-GOSISDBHSA-N 1 0 380.330 3.672 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)cc3F)C2)C1=O ZINC001204549561 1032964621 /nfs/dbraw/zinc/96/46/21/1032964621.db2.gz BPSCTZLPAWVIPJ-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000800856553 1021344004 /nfs/dbraw/zinc/34/40/04/1021344004.db2.gz OWRCCDCSQKAHIC-JOCHJYFZSA-N 1 0 390.524 3.866 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000800856359 1021344374 /nfs/dbraw/zinc/34/43/74/1021344374.db2.gz NQRYGCHVAJKMFS-QFIPXVFZSA-N 1 0 390.524 3.866 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000802659438 1021517108 /nfs/dbraw/zinc/51/71/08/1021517108.db2.gz OMAOKZAXERQINO-UHFFFAOYSA-N 1 0 386.503 3.782 20 30 GHEDRO N#Cc1cc2c(n(C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000902584547 1021521168 /nfs/dbraw/zinc/52/11/68/1021521168.db2.gz PYITYWXKIJDUAO-PDFPEKILSA-N 1 0 395.453 3.570 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)CC2 ZINC001140399287 1021564101 /nfs/dbraw/zinc/56/41/01/1021564101.db2.gz IQGDCQOKXJTOTN-QHCPKHFHSA-N 1 0 394.494 3.816 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CC#N)C3)cc2)CC1 ZINC001140481500 1021783077 /nfs/dbraw/zinc/78/30/77/1021783077.db2.gz UMYMYTZOYVNBOW-IBGZPJMESA-N 1 0 398.551 3.869 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cc(C#N)ccc4Cl)CC[N@@H+]3C2)cc1 ZINC001140601233 1022048026 /nfs/dbraw/zinc/04/80/26/1022048026.db2.gz JQVVIFAGRQFXOB-FPOVZHCZSA-N 1 0 381.907 3.858 20 30 GHEDRO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140752345 1022435072 /nfs/dbraw/zinc/43/50/72/1022435072.db2.gz KDYKRCGOWQESBD-UHFFFAOYSA-N 1 0 379.451 3.915 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3c(Br)cccc3C#N)cc2)CC1 ZINC001204750885 1033065277 /nfs/dbraw/zinc/06/52/77/1033065277.db2.gz DVSJYSGEWWVIKK-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cccc(C#N)c4Cl)CC[N@@H+]3C2)cc1 ZINC001140811102 1022599493 /nfs/dbraw/zinc/59/94/93/1022599493.db2.gz LDHKGJIXCAFQLR-CTNGQTDRSA-N 1 0 381.907 3.858 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c1Cl ZINC001140811298 1022599544 /nfs/dbraw/zinc/59/95/44/1022599544.db2.gz OAUTYGICCVTHGV-UHFFFAOYSA-N 1 0 383.854 3.980 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3cccc(C#N)c3Cl)C2)C1 ZINC001140812179 1022602505 /nfs/dbraw/zinc/60/25/05/1022602505.db2.gz OOZNVHYAAZPEIX-HNNXBMFYSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1Cl ZINC001140813454 1022610005 /nfs/dbraw/zinc/61/00/05/1022610005.db2.gz ISVCVPVVGCOIOL-QFIPXVFZSA-N 1 0 394.906 3.764 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000754373294 1022651334 /nfs/dbraw/zinc/65/13/34/1022651334.db2.gz HTLBAWVYDUDWPG-BEFAXECRSA-N 1 0 382.533 3.768 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)c1c(C)nn(C)c1C ZINC000754429282 1022701633 /nfs/dbraw/zinc/70/16/33/1022701633.db2.gz QVGYGFNVWVCLLZ-HXUWFJFHSA-N 1 0 381.524 3.641 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccc(Br)cc1 ZINC000836231997 1022751549 /nfs/dbraw/zinc/75/15/49/1022751549.db2.gz LBVPOIPKLNHBIK-GOSISDBHSA-N 1 0 392.341 3.543 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000754722901 1022858657 /nfs/dbraw/zinc/85/86/57/1022858657.db2.gz MGXYIWBWOKIQRL-MRXNPFEDSA-N 1 0 390.524 3.866 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+](C)Cc2cc(Br)cn2C)c1O ZINC000754739010 1022871223 /nfs/dbraw/zinc/87/12/23/1022871223.db2.gz JJARRWCKSUJATH-UHFFFAOYSA-N 1 0 379.298 3.862 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140922077 1022888867 /nfs/dbraw/zinc/88/88/67/1022888867.db2.gz GRZMMAREWKYVQH-NRFANRHFSA-N 1 0 375.944 3.939 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC001204808622 1033099264 /nfs/dbraw/zinc/09/92/64/1033099264.db2.gz NMSIVRCKKXWDRN-FQEVSTJZSA-N 1 0 380.435 3.899 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3C)C2)C1=O ZINC001140960874 1023014729 /nfs/dbraw/zinc/01/47/29/1023014729.db2.gz GUIIOIYHRGZHOQ-LJQANCHMSA-N 1 0 382.426 3.894 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cccc(-c3ncccn3)c1)CCO2 ZINC001140979323 1023070553 /nfs/dbraw/zinc/07/05/53/1023070553.db2.gz KATCSTVYHGCUDH-FYYLOGMGSA-N 1 0 379.504 3.717 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141075377 1023435150 /nfs/dbraw/zinc/43/51/50/1023435150.db2.gz OIWIBARGKALWHY-UHFFFAOYSA-N 1 0 379.548 3.528 20 30 GHEDRO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141106940 1023515281 /nfs/dbraw/zinc/51/52/81/1023515281.db2.gz LGCGTFZXQAHWHU-NEPJUHHUSA-N 1 0 398.960 3.981 20 30 GHEDRO Cc1csc([C@H]2C[C@@H]3CCN(Cc4sc(N)c(C#N)c4Cl)C[C@H]3O2)n1 ZINC001141109585 1023522210 /nfs/dbraw/zinc/52/22/10/1023522210.db2.gz QUCNNJOHHUFHSP-CYZMBNFOSA-N 1 0 394.953 3.972 20 30 GHEDRO N#Cc1c(N)sc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1Cl ZINC001141111166 1023525298 /nfs/dbraw/zinc/52/52/98/1023525298.db2.gz IBGXNFUSCXIDOZ-QGZVFWFLSA-N 1 0 392.937 3.546 20 30 GHEDRO COC(=O)[C@@H]1CCN(Cc2sc(N)c(C#N)c2Cl)[C@H](c2ccccc2)C1 ZINC001141113057 1023529139 /nfs/dbraw/zinc/52/91/39/1023529139.db2.gz AXIRCVOWBAARPL-HIFRSBDPSA-N 1 0 389.908 3.982 20 30 GHEDRO CN(C(=O)c1ccccc1)C1CCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141113088 1023529378 /nfs/dbraw/zinc/52/93/78/1023529378.db2.gz BVENRLBROJSSGG-UHFFFAOYSA-N 1 0 388.924 3.592 20 30 GHEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000837072666 1023990894 /nfs/dbraw/zinc/99/08/94/1023990894.db2.gz IOFGDJSQJUEOOP-PMACEKPBSA-N 1 0 379.589 3.576 20 30 GHEDRO COc1ccsc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001141324866 1024558570 /nfs/dbraw/zinc/55/85/70/1024558570.db2.gz XFSXFUOEGBIDHI-QFIPXVFZSA-N 1 0 397.544 3.747 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc3nccnc13)CC2 ZINC001138298946 1024584519 /nfs/dbraw/zinc/58/45/19/1024584519.db2.gz JNSQLHDSFQGWAJ-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO COc1cc2cccnc2c(N(c2nccc(OC)c2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001156750239 1033221907 /nfs/dbraw/zinc/22/19/07/1033221907.db2.gz LPYABDFKQAHWLW-HNNXBMFYSA-N 1 0 391.475 3.784 20 30 GHEDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc(C#Cc2ccccc2)cc1 ZINC001141348273 1024653191 /nfs/dbraw/zinc/65/31/91/1024653191.db2.gz YHYNRFLTVOJYNV-VWLOTQADSA-N 1 0 396.490 3.905 20 30 GHEDRO C(#Cc1ccc(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1)c1ccccc1 ZINC001138335192 1024696833 /nfs/dbraw/zinc/69/68/33/1024696833.db2.gz IPDIOMCXLJYEEF-UHFFFAOYSA-N 1 0 396.538 3.895 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#Cc2ccccc2)cc1)C1CCN(C(C)=O)CC1 ZINC001138336193 1024697889 /nfs/dbraw/zinc/69/78/89/1024697889.db2.gz LWWKXPYANXBSCF-UHFFFAOYSA-N 1 0 390.527 3.546 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1OC ZINC001138347786 1024709837 /nfs/dbraw/zinc/70/98/37/1024709837.db2.gz KXINTHJAGWWYGR-OAQYLSRUSA-N 1 0 376.456 3.622 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001138348177 1024710311 /nfs/dbraw/zinc/71/03/11/1024710311.db2.gz GQKDPWRPEZOWRK-VWLOTQADSA-N 1 0 390.527 3.805 20 30 GHEDRO N#Cc1ccc(C2CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)cc1 ZINC001156765676 1033230494 /nfs/dbraw/zinc/23/04/94/1033230494.db2.gz FCVPHHNJCLXXTN-UHFFFAOYSA-N 1 0 376.504 3.812 20 30 GHEDRO COc1c(C)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1C ZINC001138431562 1024831793 /nfs/dbraw/zinc/83/17/93/1024831793.db2.gz WGHGSUKRWRTPKD-DEOSSOPVSA-N 1 0 389.499 3.813 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1c(C)nn(Cc3ccccc3)c1C)CC2 ZINC001138501390 1024935321 /nfs/dbraw/zinc/93/53/21/1024935321.db2.gz KBTORYLWQNJQRH-UHFFFAOYSA-N 1 0 392.547 3.691 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426668 1025009470 /nfs/dbraw/zinc/00/94/70/1025009470.db2.gz LSFLFDBDFMDERO-MOPGFXCFSA-N 1 0 384.442 3.983 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC001138558700 1025019327 /nfs/dbraw/zinc/01/93/27/1025019327.db2.gz FYJWFJKRYCPSNL-UHFFFAOYSA-N 1 0 388.511 3.856 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)cc1 ZINC001138558006 1025019495 /nfs/dbraw/zinc/01/94/95/1025019495.db2.gz KVFVQVLVJFZHFV-QHCPKHFHSA-N 1 0 388.511 3.537 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2cc(C#C[Si](C)(C)C)ccn2)CCC([NH3+])CC1 ZINC001156803616 1033251972 /nfs/dbraw/zinc/25/19/72/1033251972.db2.gz QTYQTDVAIGVMRW-UHFFFAOYSA-N 1 0 387.600 3.704 20 30 GHEDRO CC(C)(C)O[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(Br)cc3C#N)no2)C1 ZINC001205112388 1033258572 /nfs/dbraw/zinc/25/85/72/1033258572.db2.gz KYMJTKQHDBQNIY-TZMCWYRMSA-N 1 0 391.269 3.589 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)c1O ZINC001138627405 1025127372 /nfs/dbraw/zinc/12/73/72/1025127372.db2.gz GCJDKQAWUJHAJH-UHFFFAOYSA-N 1 0 386.499 3.933 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030781 1025151920 /nfs/dbraw/zinc/15/19/20/1025151920.db2.gz QMJLCLBURGZBLH-XLIONFOSSA-N 1 0 399.535 3.873 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCCCC(C)(C)C#N)CC12CCOCC2 ZINC000832030519 1025153328 /nfs/dbraw/zinc/15/33/28/1025153328.db2.gz MLCDMJMYMBRLSO-SFHVURJKSA-N 1 0 393.572 3.960 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001138666456 1025188804 /nfs/dbraw/zinc/18/88/04/1025188804.db2.gz TWSHWKVNSBPCJV-UHFFFAOYSA-N 1 0 378.516 3.919 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3cccc(F)c3)[NH+](C)C)c2c1 ZINC001161924729 1025497351 /nfs/dbraw/zinc/49/73/51/1025497351.db2.gz ZSQRXNCTZRCBCC-IBGZPJMESA-N 1 0 394.450 3.978 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccc(OCC)cc1OCC)CCC2 ZINC001138981064 1025711649 /nfs/dbraw/zinc/71/16/49/1025711649.db2.gz JFQIFPNVZHFPPL-UHFFFAOYSA-N 1 0 385.508 3.789 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001139028838 1025796461 /nfs/dbraw/zinc/79/64/61/1025796461.db2.gz FLQSAMQTVOAIEF-NRFANRHFSA-N 1 0 380.488 3.849 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2C)CC1 ZINC001139031966 1025800325 /nfs/dbraw/zinc/80/03/25/1025800325.db2.gz FGPYJEYCPMAINT-OAQYLSRUSA-N 1 0 391.515 3.627 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001139032791 1025804854 /nfs/dbraw/zinc/80/48/54/1025804854.db2.gz VPIJOPUDRIUPTK-AVRDEDQJSA-N 1 0 384.451 3.598 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(NC[C@@]3(F)CCCC[NH2+]C3)nn2)c1 ZINC001162580605 1025805311 /nfs/dbraw/zinc/80/53/11/1025805311.db2.gz TYAQZHYICUDGTJ-GOSISDBHSA-N 1 0 393.388 3.928 20 30 GHEDRO Cc1nc(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)ccc1C#N ZINC001162680014 1025869714 /nfs/dbraw/zinc/86/97/14/1025869714.db2.gz LXBZLWRPDVANLS-UHFFFAOYSA-N 1 0 390.487 3.591 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139079428 1025890385 /nfs/dbraw/zinc/89/03/85/1025890385.db2.gz DYUYOAGKTFCJLE-IFMALSPDSA-N 1 0 381.476 3.595 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139079434 1025892318 /nfs/dbraw/zinc/89/23/18/1025892318.db2.gz DYUYOAGKTFCJLE-UNMCSNQZSA-N 1 0 381.476 3.595 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001162744879 1025902281 /nfs/dbraw/zinc/90/22/81/1025902281.db2.gz IHXLDTMRMPJQLZ-KRWDZBQOSA-N 1 0 391.862 3.684 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)cnc2Cl)c1 ZINC001162800962 1025921854 /nfs/dbraw/zinc/92/18/54/1025921854.db2.gz FWOQJCGPIDRDFF-JCGIZDLHSA-N 1 0 386.833 3.687 20 30 GHEDRO CCOC(=O)COc1cc(Cl)c(-n2ccc3cc([C@H](C)[NH3+])ccc32)nc1C#N ZINC001162898778 1025958536 /nfs/dbraw/zinc/95/85/36/1025958536.db2.gz HKAMXOKRLXXBKY-LBPRGKRZSA-N 1 0 398.850 3.512 20 30 GHEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccc([C@H](C#N)C(=O)OC(C)(C)C)n2)c1 ZINC001162903683 1025960726 /nfs/dbraw/zinc/96/07/26/1025960726.db2.gz PZNYDOOKGVYQSJ-PBHICJAKSA-N 1 0 376.460 3.994 20 30 GHEDRO CCCC(C[NH3+])(CCC)NC(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001163040775 1026023384 /nfs/dbraw/zinc/02/33/84/1026023384.db2.gz RABUOVWWMZMUHE-UHFFFAOYSA-N 1 0 399.795 3.957 20 30 GHEDRO N#Cc1c(C#N)c2c(nc1NCC[C@H]1C[NH2+]Cc3cccn3C1)CCCCCC2 ZINC001163057063 1026029076 /nfs/dbraw/zinc/02/90/76/1026029076.db2.gz LYDIRKNRQZKEDQ-KRWDZBQOSA-N 1 0 388.519 3.507 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC001163315165 1026139019 /nfs/dbraw/zinc/13/90/19/1026139019.db2.gz KTISWHHVVRXLAO-HSWQHBDASA-N 1 0 395.960 3.893 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)s3)C2)c1 ZINC001139296116 1026148191 /nfs/dbraw/zinc/14/81/91/1026148191.db2.gz HLMNPWWACKWEIJ-FQEVSTJZSA-N 1 0 397.544 3.624 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000839644979 1026156604 /nfs/dbraw/zinc/15/66/04/1026156604.db2.gz RCIMEJCRTRMZTM-VXKWHMMOSA-N 1 0 398.547 3.822 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001139341843 1026205363 /nfs/dbraw/zinc/20/53/63/1026205363.db2.gz GHCHWSSBUXAEGJ-HSZRJFAPSA-N 1 0 398.551 3.682 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1cc(C(=O)NC(C)(C)C)cc(Cl)n1 ZINC001163472174 1026207090 /nfs/dbraw/zinc/20/70/90/1026207090.db2.gz VUSROZGSTIBILQ-UHFFFAOYSA-N 1 0 387.915 3.753 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N3CCCCC3)nc1)C2 ZINC001139343061 1026207841 /nfs/dbraw/zinc/20/78/41/1026207841.db2.gz PVQUNFNZDLBHSM-JTHBVZDNSA-N 1 0 385.552 3.646 20 30 GHEDRO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139405780 1026276834 /nfs/dbraw/zinc/27/68/34/1026276834.db2.gz BPEVUYRLABQOMK-UHFFFAOYSA-N 1 0 383.451 3.965 20 30 GHEDRO COc1cccc(CN2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)c1 ZINC001139404864 1026277843 /nfs/dbraw/zinc/27/78/43/1026277843.db2.gz BVMTURWCJCIUIZ-UHFFFAOYSA-N 1 0 398.510 3.947 20 30 GHEDRO N=C(Nc1cc(CN2CCOCC2)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC001163685118 1026282757 /nfs/dbraw/zinc/28/27/57/1026282757.db2.gz JWYSOUSSNWTKMU-UHFFFAOYSA-N 1 0 381.373 3.714 20 30 GHEDRO N#Cc1cc(N2CCC[N@H+](Cc3ccncc3)CC2)nc2ccc(Cl)cc12 ZINC001163828402 1026329826 /nfs/dbraw/zinc/32/98/26/1026329826.db2.gz JDPLNMXUZRZVLU-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CCC(C[NH3+])(c3ccccc3)CC2)cc(Cl)n1 ZINC001164438936 1026513558 /nfs/dbraw/zinc/51/35/58/1026513558.db2.gz JMKUKDPRIBRZGB-UHFFFAOYSA-N 1 0 376.838 3.648 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001139688717 1026539985 /nfs/dbraw/zinc/53/99/85/1026539985.db2.gz CFUPQVXNQXWMAE-GHTZIAJQSA-N 1 0 383.879 3.809 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@]4(C3)c3ccccc3N(CC3CC3)C4=O)c[nH]c21 ZINC001139705485 1026550751 /nfs/dbraw/zinc/55/07/51/1026550751.db2.gz SFQMZGKUBBWGBV-VWLOTQADSA-N 1 0 396.494 3.940 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)cc1 ZINC001139707359 1026552394 /nfs/dbraw/zinc/55/23/94/1026552394.db2.gz XRZZCNOIZCXPLI-UHFFFAOYSA-N 1 0 398.470 3.697 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cccc(C(=O)OC)c13)C2 ZINC001139718670 1026561198 /nfs/dbraw/zinc/56/11/98/1026561198.db2.gz ICPMRDDCRMQWGI-OFNKIYASSA-N 1 0 398.503 3.528 20 30 GHEDRO C[NH+]1CCC(C2CCN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)CC2)CC1 ZINC001165065470 1026583929 /nfs/dbraw/zinc/58/39/29/1026583929.db2.gz JMNXDLUKCFDDFJ-FQEVSTJZSA-N 1 0 393.510 3.829 20 30 GHEDRO N#Cc1cc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cnc1Cl ZINC001165082461 1026593951 /nfs/dbraw/zinc/59/39/51/1026593951.db2.gz DLLBMLBSQKVOHE-CRAIPNDOSA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)cn1 ZINC001139769588 1026604538 /nfs/dbraw/zinc/60/45/38/1026604538.db2.gz KKMIDBJIPBTILK-UHFFFAOYSA-N 1 0 384.549 3.649 20 30 GHEDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC001165109667 1026611940 /nfs/dbraw/zinc/61/19/40/1026611940.db2.gz OXFXPNRXENTBFF-FQEVSTJZSA-N 1 0 382.552 3.647 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)n3ncc4c3CC[NH2+]C4)cnc2Cl)cc1 ZINC001165223686 1026672609 /nfs/dbraw/zinc/67/26/09/1026672609.db2.gz SPGBKENGFLIGRU-UHFFFAOYSA-N 1 0 385.805 3.713 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(Cl)c(-n2cccc2)cc1OC ZINC001139869253 1026682872 /nfs/dbraw/zinc/68/28/72/1026682872.db2.gz CJBQIRZTNKURFK-UHFFFAOYSA-N 1 0 375.900 3.719 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001139869459 1026683373 /nfs/dbraw/zinc/68/33/73/1026683373.db2.gz IPFZEHXRNAQSOI-UHFFFAOYSA-N 1 0 395.588 3.818 20 30 GHEDRO C=CCOc1cc(C)nc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165479320 1026741573 /nfs/dbraw/zinc/74/15/73/1026741573.db2.gz WNORUYCBMNLSBF-DENIHFKCSA-N 1 0 398.482 3.538 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]2CF)CC1 ZINC001140136689 1026910578 /nfs/dbraw/zinc/91/05/78/1026910578.db2.gz KIBDGGNDTMTBJY-IRXDYDNUSA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)c(F)c1 ZINC001140138183 1026912030 /nfs/dbraw/zinc/91/20/30/1026912030.db2.gz HETRGUFDIZFMGB-QHCPKHFHSA-N 1 0 397.469 3.955 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)c(F)c1 ZINC001140138182 1026912259 /nfs/dbraw/zinc/91/22/59/1026912259.db2.gz HETRGUFDIZFMGB-HSZRJFAPSA-N 1 0 397.469 3.955 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001166655581 1027050109 /nfs/dbraw/zinc/05/01/09/1027050109.db2.gz SGDYIQOBHSAXKJ-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cn(C)c4ncccc34)C2)CC1 ZINC001209745341 1027137251 /nfs/dbraw/zinc/13/72/51/1027137251.db2.gz VISULLQTLYYWDH-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840086292 1027164226 /nfs/dbraw/zinc/16/42/26/1027164226.db2.gz LYHVCUDDOPGPJA-LJQANCHMSA-N 1 0 389.594 3.704 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccccc3OC)C[C@@H]2c2ccccc2)C1=O ZINC001203427472 1027329663 /nfs/dbraw/zinc/32/96/63/1027329663.db2.gz HZSMSFCFZNAZNU-QPPBQGQZSA-N 1 0 376.500 3.699 20 30 GHEDRO COc1cc(Br)c(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)c(OC)c1 ZINC001203447469 1027345085 /nfs/dbraw/zinc/34/50/85/1027345085.db2.gz ORCUTMVFUOAPOM-HNNXBMFYSA-N 1 0 387.277 3.595 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(NC4=CC(=O)CC(C)(C)C4)cc3)CC2)CC1 ZINC001210153123 1027362294 /nfs/dbraw/zinc/36/22/94/1027362294.db2.gz JJHXPYVXDXATSM-UHFFFAOYSA-N 1 0 396.579 3.588 20 30 GHEDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC001203749709 1027572476 /nfs/dbraw/zinc/57/24/76/1027572476.db2.gz ASICPIDKIFNZTI-URWSZGRFSA-N 1 0 375.284 3.778 20 30 GHEDRO N#Cc1cccc(C[N@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)c1 ZINC001203762575 1027584139 /nfs/dbraw/zinc/58/41/39/1027584139.db2.gz RZYMCRMKPWHZIX-NRFANRHFSA-N 1 0 393.462 3.565 20 30 GHEDRO CCOC(=O)CCC1CCN(Cc2cc(Br)ccc2C#N)CC1 ZINC001141903286 1027627769 /nfs/dbraw/zinc/62/77/69/1027627769.db2.gz YWXMXZUXXJTEKO-UHFFFAOYSA-N 1 0 379.298 3.876 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(Nc4ccccc4C#N)cc3)CC2)CC1 ZINC001210740844 1027631960 /nfs/dbraw/zinc/63/19/60/1027631960.db2.gz XNYPFNYJFPPNSD-UHFFFAOYSA-N 1 0 375.520 3.518 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc(OC)c1OC ZINC001203846983 1027652773 /nfs/dbraw/zinc/65/27/73/1027652773.db2.gz SJCXAPPZODYFEE-LJQANCHMSA-N 1 0 382.460 3.627 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001203904124 1027696087 /nfs/dbraw/zinc/69/60/87/1027696087.db2.gz XDQRSPJGQHNOFQ-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO CSc1nc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C)c4)C3)C2)ccc1C#N ZINC001141937029 1027706973 /nfs/dbraw/zinc/70/69/73/1027706973.db2.gz KSFGZCUHBMBONT-QFIPXVFZSA-N 1 0 392.528 3.613 20 30 GHEDRO COc1ccc(O)c(/C=N\C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000840705991 1027746967 /nfs/dbraw/zinc/74/69/67/1027746967.db2.gz JLLGJIPJNBRFGV-RWFYVVHNSA-N 1 0 394.515 3.749 20 30 GHEDRO C=CCN1c2ccc(Nc3cccc(C[NH2+]C)c3)cc2C2(CCOCC2)C1=O ZINC001211137056 1027804467 /nfs/dbraw/zinc/80/44/67/1027804467.db2.gz BJIIPMZGOHZLNB-UHFFFAOYSA-N 1 0 377.488 3.730 20 30 GHEDRO CC(C)[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC001211245815 1027856873 /nfs/dbraw/zinc/85/68/73/1027856873.db2.gz TYLMWKADVBWHJH-IBGZPJMESA-N 1 0 376.932 3.767 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001204110478 1027882333 /nfs/dbraw/zinc/88/23/33/1027882333.db2.gz ATQNXBPLXKGDEO-UHFFFAOYSA-N 1 0 382.407 3.758 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccc(Br)cc1 ZINC001211287592 1027892044 /nfs/dbraw/zinc/89/20/44/1027892044.db2.gz WJJJLTCSKOIPIQ-DAYGRLMNSA-N 1 0 392.341 3.543 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC001142201043 1028345823 /nfs/dbraw/zinc/34/58/23/1028345823.db2.gz OTZXPUSDNAOXAD-UHFFFAOYSA-N 1 0 377.488 3.836 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccc(N2CCCCC2)c(C#N)c1 ZINC001213898305 1028438698 /nfs/dbraw/zinc/43/86/98/1028438698.db2.gz HIRSZZUZBXSHDU-UHFFFAOYSA-N 1 0 391.519 3.710 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(COc3cccc(F)c3)c2)CC1 ZINC001214598184 1028812984 /nfs/dbraw/zinc/81/29/84/1028812984.db2.gz XQVHFPSFNZVWNN-UHFFFAOYSA-N 1 0 381.451 3.624 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)c2)s1 ZINC000841831701 1028971914 /nfs/dbraw/zinc/97/19/14/1028971914.db2.gz ZIEVXNUKAUWDBW-IBGZPJMESA-N 1 0 394.544 3.818 20 30 GHEDRO N#Cc1ccc(-c2noc(-c3cccnc3O[C@H]3CC[NH2+]C3)n2)c2ccccc12 ZINC001215012268 1028994352 /nfs/dbraw/zinc/99/43/52/1028994352.db2.gz PGSZCRLQNCNCIZ-HNNXBMFYSA-N 1 0 383.411 3.564 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(-c3ccc(OC4C[NH2+]C4)cc3)n2)cc1Cl ZINC001215549178 1029272626 /nfs/dbraw/zinc/27/26/26/1029272626.db2.gz WIKIOPXCARYNKE-UHFFFAOYSA-N 1 0 387.226 3.933 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccc(-c3ccccn3)c1)CC2 ZINC001142828933 1029542311 /nfs/dbraw/zinc/54/23/11/1029542311.db2.gz OQIABPDMGBRPAA-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2c(C)cc(C#N)cc2C)cc1 ZINC001461558960 1069608376 /nfs/dbraw/zinc/60/83/76/1069608376.db2.gz LRWKZCWGWUCJTA-UHFFFAOYSA-N 1 0 378.520 3.859 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Nc2c[nH+]cn2Cc2ccccc2)c(C)c1O ZINC001216553098 1029684035 /nfs/dbraw/zinc/68/40/35/1029684035.db2.gz GASINOFQPIARDT-UHFFFAOYSA-N 1 0 376.416 3.737 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2nc3ccccc3n2CC[NH+](CC)CC)cc1 ZINC001142914960 1029686918 /nfs/dbraw/zinc/68/69/18/1029686918.db2.gz ICYZDVBJVMQMLT-UHFFFAOYSA-N 1 0 388.515 3.931 20 30 GHEDRO CCn1c2ccccc2nc1N1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142925785 1029701497 /nfs/dbraw/zinc/70/14/97/1029701497.db2.gz DBRNVUUHNHEPMI-UHFFFAOYSA-N 1 0 384.487 3.731 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3C[C@@H]4CCN(C(=O)c5cccc(F)c5)[C@@H]4C3)c[nH]c2c1 ZINC001142928792 1029709847 /nfs/dbraw/zinc/70/98/47/1029709847.db2.gz KYIJPCDBHYOLMU-HTAPYJJXSA-N 1 0 388.446 3.525 20 30 GHEDRO N#Cc1ccc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC000404188567 1029710148 /nfs/dbraw/zinc/71/01/48/1029710148.db2.gz LTHPQRPJBUVASC-FGZHOGPDSA-N 1 0 381.907 3.687 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc(-c3ccccc3)nn1C)C2 ZINC001143006031 1029774503 /nfs/dbraw/zinc/77/45/03/1029774503.db2.gz ISQCFVYZSHFYBR-QHCPKHFHSA-N 1 0 378.520 3.620 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3c(F)ccc(C#N)c3F)C[C@@H]2c2ccccc2)C1=O ZINC001143169280 1029879947 /nfs/dbraw/zinc/87/99/47/1029879947.db2.gz CQWBWEOHSCZGLI-XXBNENTESA-N 1 0 395.453 3.674 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCCCC[C@H]3C[C@@H](O)c3cccs3)cnc12 ZINC000843397611 1029969837 /nfs/dbraw/zinc/96/98/37/1029969837.db2.gz YYSVVJBVRBCBQP-ZWKOTPCHSA-N 1 0 381.505 3.531 20 30 GHEDRO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2Cl)C1 ZINC000843408321 1029980567 /nfs/dbraw/zinc/98/05/67/1029980567.db2.gz YTSWKFLYARHVNI-HNNXBMFYSA-N 1 0 394.910 3.780 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1OC ZINC000843501752 1030050051 /nfs/dbraw/zinc/05/00/51/1030050051.db2.gz PFBVGRFSOXUCCB-PYHFOVLWSA-N 1 0 384.520 3.510 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)c(OC)cc3F)CC2)C1=O ZINC001276755945 1030417282 /nfs/dbraw/zinc/41/72/82/1030417282.db2.gz CRAFDUZKYQEVHA-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO CCOc1ccc(-c2nnc(C[C@@H]([NH3+])Cc3ccccc3C#N)o2)cc1OCC ZINC001217714806 1030623575 /nfs/dbraw/zinc/62/35/75/1030623575.db2.gz OXNLXCYUTZXBIP-SFHVURJKSA-N 1 0 392.459 3.518 20 30 GHEDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001218044566 1030739562 /nfs/dbraw/zinc/73/95/62/1030739562.db2.gz XBDVJWNVPIQWID-KEAUERPZSA-N 1 0 379.504 3.697 20 30 GHEDRO CCCCCCCC(=O)CCc1ccc(O[C@H]2C[NH2+]CCOC2)c(OC)c1 ZINC001218045766 1030739819 /nfs/dbraw/zinc/73/98/19/1030739819.db2.gz RIWJMHLXOVSDFY-FQEVSTJZSA-N 1 0 377.525 3.925 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001223833617 1030775319 /nfs/dbraw/zinc/77/53/19/1030775319.db2.gz ZTHIHEBNBUWKHG-PZJWPPBQSA-N 1 0 387.568 3.865 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218115484 1030780329 /nfs/dbraw/zinc/78/03/29/1030780329.db2.gz GXCDRUCEYXWINF-VZEUFNRISA-N 1 0 379.456 3.818 20 30 GHEDRO C[NH2+][C@H]1CC[C@H](Oc2cc(O)cc(OC)c2C(=O)/C=C/c2ccc(O)cc2)CC1 ZINC001218190910 1030815867 /nfs/dbraw/zinc/81/58/67/1030815867.db2.gz MVYFAMZCCUNFGU-XPUQSJLWSA-N 1 0 397.471 3.912 20 30 GHEDRO COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H](C)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC001218196287 1030819596 /nfs/dbraw/zinc/81/95/96/1030819596.db2.gz ITWOSSKKKAMLLL-KWQFWETISA-N 1 0 391.283 3.850 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1c(Br)ccc(OCc2ccccc2)c1F ZINC001218199295 1030821002 /nfs/dbraw/zinc/82/10/02/1030821002.db2.gz DAWIRWMDOVVCKV-CJNGLKHVSA-N 1 0 391.240 3.658 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC001218199159 1030821279 /nfs/dbraw/zinc/82/12/79/1030821279.db2.gz ARSDCDHHIZACQZ-QPUJVOFHSA-N 1 0 375.272 3.763 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc2cc(Br)ccc2c1Br ZINC001218202018 1030826472 /nfs/dbraw/zinc/82/64/72/1030826472.db2.gz WVWCYNGVRKGXQM-HZMBPMFUSA-N 1 0 396.082 3.855 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CCC3(C[NH2+]C3)C2)c1C(=O)/C=C/c1ccccc1 ZINC001218238165 1030845884 /nfs/dbraw/zinc/84/58/84/1030845884.db2.gz NOALWUBZDKCGIL-LKGOPFMKSA-N 1 0 379.456 3.818 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@H]2CCC23C[NH2+]C3)c(O)c1 ZINC001218240956 1030847501 /nfs/dbraw/zinc/84/75/01/1030847501.db2.gz PSRGPZHOEFOFKO-SFHVURJKSA-N 1 0 377.481 3.746 20 30 GHEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001461711450 1069694837 /nfs/dbraw/zinc/69/48/37/1069694837.db2.gz GSIHYQFRZDWEGI-AAEUAGOBSA-N 1 0 378.822 3.993 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001218326751 1030895424 /nfs/dbraw/zinc/89/54/24/1030895424.db2.gz PSCINJCETBLZCQ-TXPKVOOTSA-N 1 0 377.481 3.602 20 30 GHEDRO C[N@@H+]1CCc2cc(Cl)c(O[C@H]3CN[C@H](C#N)C3)cc2[C@@H](c2ccccc2)C1 ZINC001218340060 1030902032 /nfs/dbraw/zinc/90/20/32/1030902032.db2.gz SGLBNYPOQBNXQR-NLWGTHIKSA-N 1 0 381.907 3.593 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218446317 1030939613 /nfs/dbraw/zinc/93/96/13/1030939613.db2.gz GGYCPFQFFFFTDD-FEBLUAEISA-N 1 0 379.456 3.729 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)c3ccccc23)ccc1F ZINC001218469365 1030950338 /nfs/dbraw/zinc/95/03/38/1030950338.db2.gz VHAUWBMGBBZMRW-WQFQCULDSA-N 1 0 388.446 3.608 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218470171 1030950844 /nfs/dbraw/zinc/95/08/44/1030950844.db2.gz ZLMGXLFLYPWXSF-JRGCBEDISA-N 1 0 391.467 3.776 20 30 GHEDRO CC1(C)C[C@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)CC[NH2+]1 ZINC001218470200 1030951172 /nfs/dbraw/zinc/95/11/72/1030951172.db2.gz ABFQTJIXFZFMGD-RKQRPNFGSA-N 1 0 381.428 3.623 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001218542468 1030980686 /nfs/dbraw/zinc/98/06/86/1030980686.db2.gz UHRDINLPKZTNDL-VFNWGFHPSA-N 1 0 399.491 3.913 20 30 GHEDRO N#Cc1c(NC(=O)/C=C/c2c(F)ccc(F)c2Cl)sc2c1CC[NH2+]C2 ZINC001218553506 1030984479 /nfs/dbraw/zinc/98/44/79/1030984479.db2.gz PYUPBJDHYWHQFF-DAFODLJHSA-N 1 0 379.819 3.849 20 30 GHEDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC001151738607 1030988115 /nfs/dbraw/zinc/98/81/15/1030988115.db2.gz JEMVFLXRTAJBDU-OAQYLSRUSA-N 1 0 385.577 3.904 20 30 GHEDRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@](C)(C#N)C2)c1 ZINC001461728322 1069706065 /nfs/dbraw/zinc/70/60/65/1069706065.db2.gz KUDVKFLCVSXHQV-JBRSBNLGSA-N 1 0 387.527 3.973 20 30 GHEDRO COc1ccc(CSC[C@H]([NH3+])C(=O)Nc2c(C#N)oc3ccccc32)cc1 ZINC001218627053 1031008858 /nfs/dbraw/zinc/00/88/58/1031008858.db2.gz PLZRNPGNGSHERW-INIZCTEOSA-N 1 0 381.457 3.512 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@H](c3ccccc3)C2)ccc1N1CCCCC1 ZINC001218943944 1031168673 /nfs/dbraw/zinc/16/86/73/1031168673.db2.gz FTMGKADKSDQGLI-NHCUHLMSSA-N 1 0 388.515 3.880 20 30 GHEDRO Cc1cccc2c1C1(C[C@H]2CC(=O)Nc2ccc(O)c(C#N)c2)CC[NH2+]CC1 ZINC001218955124 1031173932 /nfs/dbraw/zinc/17/39/32/1031173932.db2.gz XTHSAJULBXXWRJ-MRXNPFEDSA-N 1 0 375.472 3.710 20 30 GHEDRO CNc1ccc(C#N)cc1NC(=O)C[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001218980329 1031194093 /nfs/dbraw/zinc/19/40/93/1031194093.db2.gz BBOKHQSVCFAXPO-KRWDZBQOSA-N 1 0 380.492 3.676 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)C[C@@H]([NH3+])Cc1ccc2ccccc2c1 ZINC001219107309 1031255147 /nfs/dbraw/zinc/25/51/47/1031255147.db2.gz BEEUNLXGPSUVDQ-SFHVURJKSA-N 1 0 377.419 3.758 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)c2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001219311235 1031350622 /nfs/dbraw/zinc/35/06/22/1031350622.db2.gz VEWWMHOHKLGCCK-UHFFFAOYSA-N 1 0 377.564 3.577 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2ccccc2C(=O)OC/C=C/c2ccccc2)CCC[NH2+]1 ZINC001219388505 1031390952 /nfs/dbraw/zinc/39/09/52/1031390952.db2.gz BXYPXXJPXXIYBC-ZXXUSRDYSA-N 1 0 388.467 3.641 20 30 GHEDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(C#N)ccc1Br ZINC001461787614 1069746929 /nfs/dbraw/zinc/74/69/29/1069746929.db2.gz PNICCVUDJAYJHJ-AWEZNQCLSA-N 1 0 379.220 3.894 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)ccc1Cl ZINC001277086730 1031711532 /nfs/dbraw/zinc/71/15/32/1031711532.db2.gz RUWUZFJEAHPWDJ-UHFFFAOYSA-N 1 0 381.854 3.681 20 30 GHEDRO N#Cc1cc(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)ccc1C1CC1 ZINC001219954423 1031715294 /nfs/dbraw/zinc/71/52/94/1031715294.db2.gz VNFSQEGAQJZXPU-UHFFFAOYSA-N 1 0 389.503 3.864 20 30 GHEDRO CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1)c1ccccc1 ZINC001220031623 1031751342 /nfs/dbraw/zinc/75/13/42/1031751342.db2.gz YNPKUVSCNVYTLS-LEOXJPRUSA-N 1 0 375.516 3.982 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H](CC#N)C(F)(F)F ZINC001220098264 1031784414 /nfs/dbraw/zinc/78/44/14/1031784414.db2.gz OXBUHOGCOUAKJP-PBHICJAKSA-N 1 0 382.430 3.705 20 30 GHEDRO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ccc(Cl)c(C(C)C)c3)C2)OCC1=O ZINC001277104673 1031826282 /nfs/dbraw/zinc/82/62/82/1031826282.db2.gz SCMVFUUMQOHUQI-OAQYLSRUSA-N 1 0 376.928 3.843 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)cc21 ZINC001220204199 1031834371 /nfs/dbraw/zinc/83/43/71/1031834371.db2.gz FHYVLXBSBFDMTD-NRFANRHFSA-N 1 0 389.503 3.961 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccc2c(c1)OC(F)(F)O2)C(C)C ZINC001220600752 1032005215 /nfs/dbraw/zinc/00/52/15/1032005215.db2.gz TZWUEJCRSKOMAH-MRXNPFEDSA-N 1 0 395.450 3.506 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001220619246 1032019275 /nfs/dbraw/zinc/01/92/75/1032019275.db2.gz LOMGFEVQABOFNF-PKTZIBPZSA-N 1 0 375.516 3.887 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2ccc([C@@H](C#N)c3ccccc3F)nn2)cn1 ZINC001205211171 1033307965 /nfs/dbraw/zinc/30/79/65/1033307965.db2.gz DJYHXQQGLUDDMR-SFHVURJKSA-N 1 0 391.450 3.664 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001229207662 1033341593 /nfs/dbraw/zinc/34/15/93/1033341593.db2.gz IQDPNEMFAJDHIX-LIQPLZLLSA-N 1 0 381.428 3.576 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c2ccccc21 ZINC001205479004 1033432419 /nfs/dbraw/zinc/43/24/19/1033432419.db2.gz NEWQKCLTDWDLCD-GOSISDBHSA-N 1 0 391.490 3.855 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)ccc1F ZINC001205478926 1033432473 /nfs/dbraw/zinc/43/24/73/1033432473.db2.gz HYWZOCYDALJLPP-NRFANRHFSA-N 1 0 385.389 3.605 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001157475856 1033610447 /nfs/dbraw/zinc/61/04/47/1033610447.db2.gz NIURTRMBGXJHLU-HXUWFJFHSA-N 1 0 383.883 3.906 20 30 GHEDRO COc1cccc(C(F)(F)F)c1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157694627 1033725977 /nfs/dbraw/zinc/72/59/77/1033725977.db2.gz MFBBIGQIAJDLSC-UHFFFAOYSA-N 1 0 376.382 3.629 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)c(C)cc1O ZINC001277427387 1033768105 /nfs/dbraw/zinc/76/81/05/1033768105.db2.gz RNZDMTGYAMJCFR-LJQANCHMSA-N 1 0 393.325 3.606 20 30 GHEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1csc(C#N)c1)C(C)C ZINC001206287941 1033783768 /nfs/dbraw/zinc/78/37/68/1033783768.db2.gz ROXZAYABZFADOS-MRXNPFEDSA-N 1 0 376.547 3.992 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)N3CC[NH2+]C[C@H]3c3ccccc3)c2)c1 ZINC001157968160 1033840748 /nfs/dbraw/zinc/84/07/48/1033840748.db2.gz CTCKGWPSCKABEB-QHCPKHFHSA-N 1 0 383.451 3.718 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC001206558824 1033907042 /nfs/dbraw/zinc/90/70/42/1033907042.db2.gz VBFFTGMEQNUDAD-UHFFFAOYSA-N 1 0 390.491 3.558 20 30 GHEDRO COC(=O)c1ccccc1-c1ccc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC001206577127 1033913048 /nfs/dbraw/zinc/91/30/48/1033913048.db2.gz IGSZXIQGAACSKR-NRFANRHFSA-N 1 0 390.439 3.770 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001230153103 1033919392 /nfs/dbraw/zinc/91/93/92/1033919392.db2.gz CAVJHAUWINPZGF-BQHJZSHBSA-N 1 0 397.471 3.866 20 30 GHEDRO N#Cc1cc(C#N)c(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)nc1Cl ZINC001158148965 1033937370 /nfs/dbraw/zinc/93/73/70/1033937370.db2.gz XRFHKAFOPBTYCK-QAQDUYKDSA-N 1 0 383.858 3.894 20 30 GHEDRO COc1cc(C)ccc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001206782101 1033981133 /nfs/dbraw/zinc/98/11/33/1033981133.db2.gz QJZTZFQORPYANB-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO COc1cc(N(c2nc3c(cc2C#N)CCCC3(C)C)C2CC[NH2+]CC2)ccn1 ZINC001158332940 1034026224 /nfs/dbraw/zinc/02/62/24/1034026224.db2.gz BZSJCUMLBBBQCM-UHFFFAOYSA-N 1 0 391.519 3.861 20 30 GHEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001207036293 1034063801 /nfs/dbraw/zinc/06/38/01/1034063801.db2.gz WOORPCYWZTYRIQ-YLJYHZDGSA-N 1 0 398.551 3.905 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001158478645 1034098261 /nfs/dbraw/zinc/09/82/61/1034098261.db2.gz JKVMJPIWEMKLAQ-UHFFFAOYSA-N 1 0 387.462 3.664 20 30 GHEDRO C=CCN(CC[N@H+]1CC[C@@H](C(=O)OC)[C@@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC001207202629 1034170066 /nfs/dbraw/zinc/17/00/66/1034170066.db2.gz WZQRKYQIQILSFB-MOPGFXCFSA-N 1 0 388.508 3.646 20 30 GHEDRO C=CCN(CC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC001207205023 1034172665 /nfs/dbraw/zinc/17/26/65/1034172665.db2.gz DNOJXMSURZUKEK-UHFFFAOYSA-N 1 0 378.488 3.532 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)(C1)C2 ZINC001207269716 1034223263 /nfs/dbraw/zinc/22/32/63/1034223263.db2.gz XOUFZBPLYKBFOC-YUVSOPLDSA-N 1 0 397.519 3.849 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001207358336 1034304045 /nfs/dbraw/zinc/30/40/45/1034304045.db2.gz AEECZZARHILMGC-KRWDZBQOSA-N 1 0 379.464 3.660 20 30 GHEDRO C#CCC[C@@H](O)C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001207381216 1034326980 /nfs/dbraw/zinc/32/69/80/1034326980.db2.gz HXKWPSWAURLKEP-KBXCAEBGSA-N 1 0 376.294 3.734 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CCC3(CC2)[NH2+]CCc2ccccc23)cnc1Cl ZINC001159010255 1034378922 /nfs/dbraw/zinc/37/89/22/1034378922.db2.gz HEUJBQZNILPBSV-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCc1cccc(Br)c1)C2 ZINC001207504908 1034408582 /nfs/dbraw/zinc/40/85/82/1034408582.db2.gz LCRSBQKCKVDAOV-MOPGFXCFSA-N 1 0 380.326 3.818 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](CCc1ccccc1Br)CC2 ZINC001207529338 1034432546 /nfs/dbraw/zinc/43/25/46/1034432546.db2.gz ATBHDAFBORZWER-UHFFFAOYSA-N 1 0 377.326 3.635 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001231205582 1034462503 /nfs/dbraw/zinc/46/25/03/1034462503.db2.gz HBNUIGJCQBBXHW-JWWIWJDOSA-N 1 0 391.918 3.963 20 30 GHEDRO CCOC(=O)[C@@H]1CCCc2sc(Nc3ccc4c(c3)CC[NH2+]C4)c(C#N)c21 ZINC001159167826 1034463098 /nfs/dbraw/zinc/46/30/98/1034463098.db2.gz UTRLSUNSVUNDMR-MRXNPFEDSA-N 1 0 381.501 3.992 20 30 GHEDRO COCC[C@@H](C[NH+]1CCC(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC001207688885 1034529029 /nfs/dbraw/zinc/52/90/29/1034529029.db2.gz OENSCSSMQFMRIF-FQEVSTJZSA-N 1 0 387.524 3.667 20 30 GHEDRO N#Cc1cc(Nc2ccnn2-c2cccc(Br)c2)cc(C2C[NH2+]C2)c1 ZINC001159355439 1034560564 /nfs/dbraw/zinc/56/05/64/1034560564.db2.gz CTKZPTLZVXNRMH-UHFFFAOYSA-N 1 0 394.276 3.937 20 30 GHEDRO N#Cc1cc(Nc2ccc(I)c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001159478270 1034613097 /nfs/dbraw/zinc/61/30/97/1034613097.db2.gz WWOGSPHILHBFQV-UHFFFAOYSA-N 1 0 393.203 3.732 20 30 GHEDRO N#Cc1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c(OC(F)(F)F)c1 ZINC001159496441 1034621144 /nfs/dbraw/zinc/62/11/44/1034621144.db2.gz MNQWFMQZXPYQQS-UHFFFAOYSA-N 1 0 376.382 3.606 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(OC)c(C#N)cc1F)Cc1ccccc1 ZINC001207876797 1034635583 /nfs/dbraw/zinc/63/55/83/1034635583.db2.gz IRZSGJBGBXZYPX-GOSISDBHSA-N 1 0 398.482 3.781 20 30 GHEDRO Cc1nc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)ccc1C#N ZINC001159583152 1034679233 /nfs/dbraw/zinc/67/92/33/1034679233.db2.gz VLIDXIYGQCCPOY-CQSZACIVSA-N 1 0 396.454 3.824 20 30 GHEDRO N#Cc1cc(Br)cc(Br)c1Nc1cncc(C[NH3+])c1 ZINC001159660518 1034706424 /nfs/dbraw/zinc/70/64/24/1034706424.db2.gz PBCXQJDSFKRFHS-UHFFFAOYSA-N 1 0 382.059 3.681 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC001208061056 1034722462 /nfs/dbraw/zinc/72/24/62/1034722462.db2.gz DDRRBPMCWNJAMY-UHFFFAOYSA-N 1 0 399.560 3.637 20 30 GHEDRO Cc1cc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ncc1C#N ZINC001208079628 1034727787 /nfs/dbraw/zinc/72/77/87/1034727787.db2.gz UABPRDBJDJSZOK-IBGZPJMESA-N 1 0 377.492 3.686 20 30 GHEDRO COc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1C(F)(F)F ZINC001159743166 1034731515 /nfs/dbraw/zinc/73/15/15/1034731515.db2.gz WCKGLEPELLZFCK-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3ccco3)C2)CC1 ZINC001208176954 1034776421 /nfs/dbraw/zinc/77/64/21/1034776421.db2.gz KXMGPNZVOUMSBU-PRTQVNTJSA-N 1 0 398.547 3.925 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(=O)OC)C2)CC1 ZINC001208178424 1034777830 /nfs/dbraw/zinc/77/78/30/1034777830.db2.gz DPSBMFFRFAHHKP-QYZOEREBSA-N 1 0 392.540 3.677 20 30 GHEDRO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC001231620874 1034778366 /nfs/dbraw/zinc/77/83/66/1034778366.db2.gz OMOXHUDGSKSMHW-UNMCSNQZSA-N 1 0 378.472 3.878 20 30 GHEDRO Cc1cc(C(=O)NCc2ccco2)ccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159934900 1034791546 /nfs/dbraw/zinc/79/15/46/1034791546.db2.gz MFSNYVAOVMJSDZ-UHFFFAOYSA-N 1 0 386.455 3.820 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](CCc4cccc(F)c4)C3)C2)c1 ZINC001208198359 1034792371 /nfs/dbraw/zinc/79/23/71/1034792371.db2.gz QJKOWSLTJBHHOH-XMMPIXPASA-N 1 0 393.506 3.859 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)c1 ZINC001231656848 1034814799 /nfs/dbraw/zinc/81/47/99/1034814799.db2.gz HIFWMQMSYVEUKT-QHCPKHFHSA-N 1 0 395.572 3.547 20 30 GHEDRO CCOC(=O)c1cc(C)cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001160100011 1034859368 /nfs/dbraw/zinc/85/93/68/1034859368.db2.gz MMRCNHCIZJQLQB-UHFFFAOYSA-N 1 0 378.476 3.537 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2-n2cc3ccc(C[NH3+])cc3n2)cc1 ZINC001160143351 1034878697 /nfs/dbraw/zinc/87/86/97/1034878697.db2.gz NCUYBVMBLQHNMN-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(N(C)CCC#N)cc1)CCO2 ZINC001231819774 1034927977 /nfs/dbraw/zinc/92/79/77/1034927977.db2.gz RWUFDVPNKQLSEQ-FYYLOGMGSA-N 1 0 383.536 3.610 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1-n1nc(-c2ccncc2)cc1C[NH3+] ZINC001160343623 1034945509 /nfs/dbraw/zinc/94/55/09/1034945509.db2.gz CCBHYFGIZTYFHY-UHFFFAOYSA-N 1 0 378.798 3.605 20 30 GHEDRO C=CCN1CCN(C(=O)[C@@H](C)C[C@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001160432440 1034973281 /nfs/dbraw/zinc/97/32/81/1034973281.db2.gz WDGIRPDAJTUYRW-RDPSFJRHSA-N 1 0 391.559 3.580 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCc1ccc(OC)c(OC)c1)[C@@H]2CC ZINC001208751156 1034998720 /nfs/dbraw/zinc/99/87/20/1034998720.db2.gz CTDWPIXGDYGWCE-GGAORHGYSA-N 1 0 386.536 3.668 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)c(Br)cc1C)CC2 ZINC001276582446 1035007057 /nfs/dbraw/zinc/00/70/57/1035007057.db2.gz MYRIYFJCSPNLBQ-KRWDZBQOSA-N 1 0 391.353 3.970 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ncc(Br)cc1F)C2 ZINC001231986572 1035024793 /nfs/dbraw/zinc/02/47/93/1035024793.db2.gz UUVBFMLBRHOVRF-MSOLQXFVSA-N 1 0 399.304 3.557 20 30 GHEDRO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CCCc2cccc(C#N)c2)n1 ZINC001208852113 1035058624 /nfs/dbraw/zinc/05/86/24/1035058624.db2.gz UTDLDRAUQXUMLS-RBZQAINGSA-N 1 0 391.515 3.643 20 30 GHEDRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208861274 1035064936 /nfs/dbraw/zinc/06/49/36/1035064936.db2.gz GYIFLSRQIPDLPJ-QHCPKHFHSA-N 1 0 387.527 3.971 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CCCc1ccc(C(=O)OCC)cc1)CC2 ZINC001208866878 1035068210 /nfs/dbraw/zinc/06/82/10/1035068210.db2.gz PVLIGFUQSNAJAS-XMMPIXPASA-N 1 0 398.547 3.829 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001232119590 1035106383 /nfs/dbraw/zinc/10/63/83/1035106383.db2.gz HIQYZFJXTSUTSO-ZJOUEHCJSA-N 1 0 394.906 3.753 20 30 GHEDRO Cc1cccc(C[C@]2(C(=O)N3CCC(C#Cc4ccccc4)CC3)CCC[NH2+]2)c1 ZINC001161153167 1035162257 /nfs/dbraw/zinc/16/22/57/1035162257.db2.gz ZXKYRYGOIVQLTC-SANMLTNESA-N 1 0 386.539 3.950 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCc3cc(F)cc(F)c3)CC2)cc1 ZINC001209132339 1035187366 /nfs/dbraw/zinc/18/73/66/1035187366.db2.gz NOEDKTHYDOPWNE-UHFFFAOYSA-N 1 0 384.430 3.665 20 30 GHEDRO N#Cc1cc(C(F)(F)NCC2CC[NH+](Cc3ccccn3)CC2)cnc1Cl ZINC001161243494 1035190204 /nfs/dbraw/zinc/19/02/04/1035190204.db2.gz QZJIQNHSWGTWKM-UHFFFAOYSA-N 1 0 391.853 3.553 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCc1ccc(F)c(F)c1)CC2 ZINC001209241730 1035217473 /nfs/dbraw/zinc/21/74/73/1035217473.db2.gz OOLMYRGRGDHCSO-UHFFFAOYSA-N 1 0 387.474 3.875 20 30 GHEDRO COCCC1(CNc2nc3cc(F)ccc3c(Cl)c2C#N)CC[NH2+]CC1 ZINC001161505266 1035244458 /nfs/dbraw/zinc/24/44/58/1035244458.db2.gz UJFNDAHTUAXZQI-UHFFFAOYSA-N 1 0 376.863 3.717 20 30 GHEDRO C[C@H](c1ccccc1)N(C(=O)[C@@H]([NH3+])C1Cc2ccccc2C1)C1=CC(=O)CCC1 ZINC001161509202 1035245251 /nfs/dbraw/zinc/24/52/51/1035245251.db2.gz NALVADZPVKOVOA-OSPHWJPCSA-N 1 0 388.511 3.955 20 30 GHEDRO C=CCCCCC[N@@H+]1CCc2cnn(CC3CCOCC3)c2[C@H]1COCC ZINC001209423872 1035271958 /nfs/dbraw/zinc/27/19/58/1035271958.db2.gz FUYVFEIFRMNDJI-OAQYLSRUSA-N 1 0 375.557 3.992 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001461958520 1069914447 /nfs/dbraw/zinc/91/44/47/1069914447.db2.gz BYCVBZVUZTXIPS-WMZOPIPTSA-N 1 0 386.540 3.749 20 30 GHEDRO C=CCCCCCCC[NH+]1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001209438268 1035274572 /nfs/dbraw/zinc/27/45/72/1035274572.db2.gz DRXUUGUFUWHPBI-UHFFFAOYSA-N 1 0 385.552 3.802 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001209443287 1035274901 /nfs/dbraw/zinc/27/49/01/1035274901.db2.gz PGVIONYHQHNVRA-QZNHQXDQSA-N 1 0 392.584 3.774 20 30 GHEDRO C=CCCCCCCC[N@@H+]1Cc2nnn(C)c2[C@@H](COCc2ccccn2)C1 ZINC001209442550 1035274953 /nfs/dbraw/zinc/27/49/53/1035274953.db2.gz XFFIWOAZNBVXPA-LJQANCHMSA-N 1 0 383.540 3.853 20 30 GHEDRO CC[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001461957496 1069914502 /nfs/dbraw/zinc/91/45/02/1069914502.db2.gz WPSHITSLSTXDOP-FQEVSTJZSA-N 1 0 393.531 3.852 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2cccnc2)C1 ZINC001209444592 1035275861 /nfs/dbraw/zinc/27/58/61/1035275861.db2.gz VJBNQCPAJPKTBO-RJGXRXQPSA-N 1 0 399.579 3.951 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[NH2+][C@@H](C)c1ccccc1 ZINC001209556366 1035311193 /nfs/dbraw/zinc/31/11/93/1035311193.db2.gz DLEYFBJRYDGVSP-DOTOQJQBSA-N 1 0 391.562 3.664 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[NH2+][C@H](C)c1ccccc1 ZINC001209556367 1035311386 /nfs/dbraw/zinc/31/13/86/1035311386.db2.gz DLEYFBJRYDGVSP-NVXWUHKLSA-N 1 0 391.562 3.664 20 30 GHEDRO N#Cc1cnc(NCCN2CCC([NH3+])CC2)c2cc(-c3ccccc3)sc21 ZINC001161867860 1035318002 /nfs/dbraw/zinc/31/80/02/1035318002.db2.gz SKJYTUGAUNHMCE-UHFFFAOYSA-N 1 0 377.517 3.670 20 30 GHEDRO CC[NH+]1CCC(Cc2nc(-c3ccc(Br)cc3C#N)no2)CC1 ZINC001248138001 1035557999 /nfs/dbraw/zinc/55/79/99/1035557999.db2.gz LEWVRQSTMQTMRY-UHFFFAOYSA-N 1 0 375.270 3.645 20 30 GHEDRO COc1c(Cl)ccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)c1F ZINC001248155509 1035581653 /nfs/dbraw/zinc/58/16/53/1035581653.db2.gz RFQZMBKUJPZJRK-CYBMUJFWSA-N 1 0 386.814 3.522 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)c(C#N)c1 ZINC001248157519 1035584381 /nfs/dbraw/zinc/58/43/81/1035584381.db2.gz MQYJBFVHKOKRKN-LJQANCHMSA-N 1 0 385.471 3.890 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)no2)cc1 ZINC001248157288 1035584605 /nfs/dbraw/zinc/58/46/05/1035584605.db2.gz UTXVOXFFLSHLTA-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO CC(C)(C)OC(=O)NC1(CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)CCOCC1 ZINC001461997426 1069935965 /nfs/dbraw/zinc/93/59/65/1069935965.db2.gz HDIWICGINUPRAN-UHFFFAOYSA-N 1 0 399.535 3.987 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(C(=O)N3CCOCC3)nc2)cc1 ZINC001242656241 1035937439 /nfs/dbraw/zinc/93/74/39/1035937439.db2.gz SDTHARBUUMBPST-QFIPXVFZSA-N 1 0 377.488 3.544 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001248749856 1036106430 /nfs/dbraw/zinc/10/64/30/1036106430.db2.gz NVGFWJSFPGZMFV-QTJGBDASSA-N 1 0 393.531 3.825 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cc(Br)cnc1C)C2 ZINC001248778943 1036138954 /nfs/dbraw/zinc/13/89/54/1036138954.db2.gz RMZONTFIRSSMSJ-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3ccc([C@H](C#N)c4ccccc4F)nn3)c2)CC1 ZINC001243666248 1036244059 /nfs/dbraw/zinc/24/40/59/1036244059.db2.gz JLRMLSVAPUJCDW-HXUWFJFHSA-N 1 0 387.462 3.690 20 30 GHEDRO COc1ccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c(OC(F)(F)F)c1 ZINC001243814277 1036289118 /nfs/dbraw/zinc/28/91/18/1036289118.db2.gz ZPBRRUJMIZPFNR-UHFFFAOYSA-N 1 0 377.366 3.542 20 30 GHEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001462094467 1069991260 /nfs/dbraw/zinc/99/12/60/1069991260.db2.gz XWAUJTIPGJCILJ-AVRDEDQJSA-N 1 0 377.488 3.639 20 30 GHEDRO N#CCCN(C(=O)c1ccc(-c2cccc(OCC[NH3+])c2)nc1)c1ccccc1 ZINC001244323889 1036471611 /nfs/dbraw/zinc/47/16/11/1036471611.db2.gz UECJNNCNMUGKMI-UHFFFAOYSA-N 1 0 386.455 3.647 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001245810095 1037008937 /nfs/dbraw/zinc/00/89/37/1037008937.db2.gz JUOUALSWTCRDNY-UHFFFAOYSA-N 1 0 384.471 3.984 20 30 GHEDRO N#Cc1cc(-c2cc(OC(F)(F)F)ccc2CO)ccc1OC1CC[NH2+]CC1 ZINC001245861121 1037030656 /nfs/dbraw/zinc/03/06/56/1037030656.db2.gz PDPSFDYDGUVONY-UHFFFAOYSA-N 1 0 392.377 3.747 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])NC2CCC(C#N)(c3ccc(F)cc3)CC2)cc1 ZINC001246302791 1037285384 /nfs/dbraw/zinc/28/53/84/1037285384.db2.gz COZCIBCKKNPURI-UHFFFAOYSA-N 1 0 379.435 3.722 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246483745 1037430823 /nfs/dbraw/zinc/43/08/23/1037430823.db2.gz VGKNHZZFGBISPO-IRFCIJBXSA-N 1 0 388.552 3.624 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCN[C@@H](c4ccccc4)C3)CC2)C1 ZINC001246527209 1037461165 /nfs/dbraw/zinc/46/11/65/1037461165.db2.gz SROIHFMXSOSIMM-FGZHOGPDSA-N 1 0 397.563 3.980 20 30 GHEDRO Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246785438 1037625534 /nfs/dbraw/zinc/62/55/34/1037625534.db2.gz BCOPWBPQIFFMAU-FYYLOGMGSA-N 1 0 378.495 3.621 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246844270 1037671745 /nfs/dbraw/zinc/67/17/45/1037671745.db2.gz LMAZNLGGIJNFGO-RJGXRXQPSA-N 1 0 375.516 3.765 20 30 GHEDRO CN(C)c1ccc(-c2nc3cccc(F)c3n2CC2CC[NH2+]CC2)c(F)c1C#N ZINC001247036718 1037859648 /nfs/dbraw/zinc/85/96/48/1037859648.db2.gz HSSZOGIZGPOFHV-UHFFFAOYSA-N 1 0 395.457 3.919 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)c(OC)cc1O)[C@@H]2CC ZINC001232268734 1037991471 /nfs/dbraw/zinc/99/14/71/1037991471.db2.gz UKNBMGPJOFZURH-CTNGQTDRSA-N 1 0 392.927 3.976 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(COC)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001232300361 1038043919 /nfs/dbraw/zinc/04/39/19/1038043919.db2.gz PSCKTSZLFSZLEV-NOZRDPDXSA-N 1 0 390.527 3.837 20 30 GHEDRO C=CCOc1ccc(-c2noc([C@H](c3ccco3)N3CCC[C@H]([NH3+])C3)n2)c(F)c1 ZINC001247325819 1038120465 /nfs/dbraw/zinc/12/04/65/1038120465.db2.gz CJESBQVPVGQAEK-LIRRHRJNSA-N 1 0 398.438 3.546 20 30 GHEDRO N#Cc1ccnc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)c1 ZINC001232479681 1038260960 /nfs/dbraw/zinc/26/09/60/1038260960.db2.gz ZFRVFMOGPAZQPB-JOCHJYFZSA-N 1 0 386.499 3.529 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc([C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)n2)c1 ZINC001247849095 1038423129 /nfs/dbraw/zinc/42/31/29/1038423129.db2.gz JXHZGEIRGBCHBH-GOSISDBHSA-N 1 0 390.418 3.784 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001232890507 1038675489 /nfs/dbraw/zinc/67/54/89/1038675489.db2.gz GWDMMEYUYOEXGE-GOTSBHOMSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)ccc1Br ZINC001232893582 1038684086 /nfs/dbraw/zinc/68/40/86/1038684086.db2.gz JYYNRLUBECMWGR-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cncc(-c4ccccc4)c3)C2)CC1 ZINC001232898076 1038692598 /nfs/dbraw/zinc/69/25/98/1038692598.db2.gz ZDVVYMJVOSHLKN-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c(C#N)c1 ZINC001232964866 1038739189 /nfs/dbraw/zinc/73/91/89/1038739189.db2.gz CINDMRPISKSLTE-LJQANCHMSA-N 1 0 381.451 3.603 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c(C#N)c1 ZINC001232965773 1038739976 /nfs/dbraw/zinc/73/99/76/1038739976.db2.gz DVURRFSRIFVNHC-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO Cc1nc(CN2CC[C@@]3(CCC[N@H+](Cc4ccc(C)cc4C#N)C3)C2=O)cs1 ZINC001232966804 1038741557 /nfs/dbraw/zinc/74/15/57/1038741557.db2.gz VYEMFJSOHCJBPN-JOCHJYFZSA-N 1 0 394.544 3.646 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001233079570 1038843677 /nfs/dbraw/zinc/84/36/77/1038843677.db2.gz IDCOMSRPMHLALZ-RTBURBONSA-N 1 0 387.499 3.942 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001252076311 1038846352 /nfs/dbraw/zinc/84/63/52/1038846352.db2.gz CVJWFTUGFKRFGQ-SFTDATJTSA-N 1 0 385.552 3.712 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccc(C#N)cc2C)CC3)cs1 ZINC001233081082 1038849098 /nfs/dbraw/zinc/84/90/98/1038849098.db2.gz NQELKYMJKXPTFN-NRFANRHFSA-N 1 0 397.544 3.972 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CN(CC)C(=O)[C@@H]2COCC)CC1 ZINC001252127552 1038877421 /nfs/dbraw/zinc/87/74/21/1038877421.db2.gz BGDOLPLRXHYAFY-SFTDATJTSA-N 1 0 396.616 3.695 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001252127828 1038878815 /nfs/dbraw/zinc/87/88/15/1038878815.db2.gz FQCDYLWBMJQCCF-LJQANCHMSA-N 1 0 377.573 3.816 20 30 GHEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c(F)c1C#N ZINC001233102402 1038884361 /nfs/dbraw/zinc/88/43/61/1038884361.db2.gz YFYUUGIXUURLIE-INIZCTEOSA-N 1 0 390.503 3.643 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001252134049 1038885013 /nfs/dbraw/zinc/88/50/13/1038885013.db2.gz UMFFJMNPHLCEKW-CTNGQTDRSA-N 1 0 376.541 3.740 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1Cn2nnc(-c3ccccc3)c2CO1 ZINC001252135514 1038886942 /nfs/dbraw/zinc/88/69/42/1038886942.db2.gz DNXFEOBUKLWBFE-WOJBJXKFSA-N 1 0 386.540 3.545 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001252139988 1038888848 /nfs/dbraw/zinc/88/88/48/1038888848.db2.gz WJJYFGOIAVFBCT-SFHVURJKSA-N 1 0 388.508 3.741 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(c2cccc(OC)n2)CCOCC1 ZINC001252139587 1038889276 /nfs/dbraw/zinc/88/92/76/1038889276.db2.gz POXQUZCORTXKKQ-LJQANCHMSA-N 1 0 378.557 3.840 20 30 GHEDRO C[C@@H]1CCC[N@H+](C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC001252316056 1038940446 /nfs/dbraw/zinc/94/04/46/1038940446.db2.gz DLLPDKWKGRFKER-TYILLQQXSA-N 1 0 397.441 3.635 20 30 GHEDRO CC(C)C1CC[NH+](C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001252323535 1038942786 /nfs/dbraw/zinc/94/27/86/1038942786.db2.gz XRBGEPGKOMCDDP-IBGZPJMESA-N 1 0 397.441 3.635 20 30 GHEDRO C[C@](O)(C[NH2+]CCC1CCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252334534 1038945345 /nfs/dbraw/zinc/94/53/45/1038945345.db2.gz MODVMIKHDPEXEE-IBGZPJMESA-N 1 0 397.441 3.827 20 30 GHEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC001252491123 1039003590 /nfs/dbraw/zinc/00/35/90/1039003590.db2.gz OQJXCTDFVFZFOR-OALUTQOASA-N 1 0 376.294 3.692 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc12 ZINC001252547356 1039028390 /nfs/dbraw/zinc/02/83/90/1039028390.db2.gz FWRDVGSTWDNJGF-JOCHJYFZSA-N 1 0 386.536 3.708 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(C[C@H](CC(=O)NCC3CC3)c3ccccc32)CC1 ZINC001252595612 1039041768 /nfs/dbraw/zinc/04/17/68/1039041768.db2.gz JJCXWNOXQHHZGD-SFTDATJTSA-N 1 0 396.575 3.751 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccc(OCOC)c3)CC2)C1 ZINC001233278839 1039047869 /nfs/dbraw/zinc/04/78/69/1039047869.db2.gz HQMLPUIAICYWFJ-UHFFFAOYSA-N 1 0 388.508 3.670 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(OC)c3O)C2)C1 ZINC001233287621 1039066428 /nfs/dbraw/zinc/06/64/28/1039066428.db2.gz ZZNKDZXLRPAFRI-FQEVSTJZSA-N 1 0 394.899 3.665 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc5cccnc5s4)C3)CC2=O)c1 ZINC001233347714 1039162808 /nfs/dbraw/zinc/16/28/08/1039162808.db2.gz YKGWCZFSOOZRDF-QFIPXVFZSA-N 1 0 388.496 3.797 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(N)cc3Cl)C2)CC1 ZINC001233373309 1039194095 /nfs/dbraw/zinc/19/40/95/1039194095.db2.gz BKBYMUMANHMQCC-UHFFFAOYSA-N 1 0 377.916 3.923 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cn3cccc(Cl)c3n1)C2 ZINC001233421172 1039285777 /nfs/dbraw/zinc/28/57/77/1039285777.db2.gz LVWSBUINASFDTM-ICSRJNTNSA-N 1 0 375.900 3.561 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CCN(CCOC)C2=O)CC1 ZINC001252986742 1039313640 /nfs/dbraw/zinc/31/36/40/1039313640.db2.gz WSAKWBMQCKFOPQ-OAQYLSRUSA-N 1 0 396.616 3.839 20 30 GHEDRO C=CC[N@@H+](Cc1cccc(C(=O)NCCNC(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001233478404 1039371103 /nfs/dbraw/zinc/37/11/03/1039371103.db2.gz AOKPSMCYAMYUQM-UHFFFAOYSA-N 1 0 389.540 3.728 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2=O)CC1 ZINC001253237391 1039492718 /nfs/dbraw/zinc/49/27/18/1039492718.db2.gz YJYKHBKTTCDUII-QFIPXVFZSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001253237754 1039493333 /nfs/dbraw/zinc/49/33/33/1039493333.db2.gz MORLNOGGXCPYIZ-BHDDXSALSA-N 1 0 385.552 3.534 20 30 GHEDRO C=CCCCCCC[C@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(OC)c1 ZINC001253246239 1039502166 /nfs/dbraw/zinc/50/21/66/1039502166.db2.gz LJHYIBNZHLXOMA-FQEVSTJZSA-N 1 0 375.557 3.746 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001253254204 1039504597 /nfs/dbraw/zinc/50/45/97/1039504597.db2.gz ABWHDAJDGMAEOQ-JQVVWYNYSA-N 1 0 396.572 3.632 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(CC(=O)c2cccs2)CC1 ZINC001253255743 1039505463 /nfs/dbraw/zinc/50/54/63/1039505463.db2.gz LQPSBBYSCIOTIO-LJQANCHMSA-N 1 0 378.582 3.872 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233754837 1039592553 /nfs/dbraw/zinc/59/25/53/1039592553.db2.gz MKAHZUDFNVQJLF-QAPCUYQASA-N 1 0 387.398 3.617 20 30 GHEDRO COc1cc2c(cc1Cl)ncnc2O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001233785491 1039616495 /nfs/dbraw/zinc/61/64/95/1039616495.db2.gz XTXXZBCGJAVHJR-MRXNPFEDSA-N 1 0 394.862 3.817 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+]C[C@@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)C1=O ZINC001253494566 1039677056 /nfs/dbraw/zinc/67/70/56/1039677056.db2.gz OQPIKLFLAVHUNJ-UGKGYDQZSA-N 1 0 392.971 3.816 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+]C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C(=O)NO ZINC001253499149 1039681011 /nfs/dbraw/zinc/68/10/11/1039681011.db2.gz NHUQUOXSVMINCW-GZRFBZBPSA-N 1 0 384.948 3.560 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C)cc21 ZINC001253599637 1039716799 /nfs/dbraw/zinc/71/67/99/1039716799.db2.gz RBYFVDSQBOBFQG-PXNSSMCTSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001253610163 1039720408 /nfs/dbraw/zinc/72/04/08/1039720408.db2.gz BHHPIVZKTVXMPW-UKRRQHHQSA-N 1 0 397.313 3.772 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCCCO ZINC001253616292 1039727101 /nfs/dbraw/zinc/72/71/01/1039727101.db2.gz ROQUBULUCIGHFM-OAQYLSRUSA-N 1 0 375.594 3.664 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[N@H+](C)CC1COC1 ZINC001253615551 1039727127 /nfs/dbraw/zinc/72/71/27/1039727127.db2.gz KJIIHGBERSQHFB-QFIPXVFZSA-N 1 0 387.605 3.880 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC001253617128 1039728960 /nfs/dbraw/zinc/72/89/60/1039728960.db2.gz ZZUOTKGDDHUJFX-YADHBBJMSA-N 1 0 387.605 3.616 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C(=O)OC(C)(C)C ZINC001253687275 1039765783 /nfs/dbraw/zinc/76/57/83/1039765783.db2.gz ASFKUBKLHCQNJF-UWJYYQICSA-N 1 0 380.488 3.824 20 30 GHEDRO CC(C)[NH+]1CCC(CCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC001253728846 1039783022 /nfs/dbraw/zinc/78/30/22/1039783022.db2.gz SIXJFYKIGCMQPS-UHFFFAOYSA-N 1 0 398.551 3.622 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2ccccc2O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001234078921 1039819603 /nfs/dbraw/zinc/81/96/03/1039819603.db2.gz FLVNMYCGYSHFJH-UBFULWILSA-N 1 0 391.467 3.774 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001254203583 1040054245 /nfs/dbraw/zinc/05/42/45/1040054245.db2.gz YWPONCIAEDGHGB-DXIQSLLYSA-N 1 0 394.556 3.602 20 30 GHEDRO CC(=O)N1CCC([N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC001254429686 1040226474 /nfs/dbraw/zinc/22/64/74/1040226474.db2.gz LPXKWPPVAVLSMI-HSZRJFAPSA-N 1 0 387.527 3.829 20 30 GHEDRO COc1cc(O[C@@H]2C[NH+]3CCC2CC3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001234790286 1040321572 /nfs/dbraw/zinc/32/15/72/1040321572.db2.gz QHVPSARNHCESQJ-UZHKBWCJSA-N 1 0 379.456 3.770 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)c2ccc(O[C@H](CC#N)c3ccccc3)cc2)CC1 ZINC001234903767 1040419017 /nfs/dbraw/zinc/41/90/17/1040419017.db2.gz MXTOELYKHBCTNY-JOCHJYFZSA-N 1 0 377.488 3.887 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)C1 ZINC001254664024 1040427021 /nfs/dbraw/zinc/42/70/21/1040427021.db2.gz SXFKQZGTCIJCHC-QWFCFKBJSA-N 1 0 393.531 3.748 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(N4CCCC4)c3)C2)C1 ZINC001235090647 1040580056 /nfs/dbraw/zinc/58/00/56/1040580056.db2.gz WYVLOQZLQWBEMU-HSZRJFAPSA-N 1 0 383.536 3.897 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=[NH2+])c3ccc4ccccc4n3)C[C@@H]2C1 ZINC001254893608 1040647851 /nfs/dbraw/zinc/64/78/51/1040647851.db2.gz KDQPHIRGOMKNNZ-FVQHAEBGSA-N 1 0 380.492 3.586 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc5cccc(F)c5[nH]4)C3)CC2=O)c1 ZINC001235242797 1040724257 /nfs/dbraw/zinc/72/42/57/1040724257.db2.gz IOYDNPSBZAHMSK-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1Br ZINC001235373987 1040883155 /nfs/dbraw/zinc/88/31/55/1040883155.db2.gz BKIZQRBFRNKYAG-CTNGQTDRSA-N 1 0 396.332 3.900 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCC[C@@H](C(=O)OCC)C1)[C@H]2CC ZINC001255360617 1040961599 /nfs/dbraw/zinc/96/15/99/1040961599.db2.gz CWNDUMLCULZCFW-GHDARCQNSA-N 1 0 376.541 3.530 20 30 GHEDRO CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)C1 ZINC001255371578 1040967044 /nfs/dbraw/zinc/96/70/44/1040967044.db2.gz PGFNWPYPOBOVQS-ROUUACIJSA-N 1 0 386.492 3.532 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255386213 1040974792 /nfs/dbraw/zinc/97/47/92/1040974792.db2.gz LAPVUVUMKNILOD-RPWUZVMVSA-N 1 0 392.543 3.971 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC001235751402 1041238320 /nfs/dbraw/zinc/23/83/20/1041238320.db2.gz YBNJXHAJTPQOBL-HNNXBMFYSA-N 1 0 386.293 3.894 20 30 GHEDRO N#Cc1ccc(Br)c(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235972720 1041477267 /nfs/dbraw/zinc/47/72/67/1041477267.db2.gz IVHXLVQXOIYPPT-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C3CCN(c4ncccn4)CC3)CC2)cc1Cl ZINC001256062390 1041500015 /nfs/dbraw/zinc/50/00/15/1041500015.db2.gz XUGKPVASRCPXCG-UHFFFAOYSA-N 1 0 397.910 3.514 20 30 GHEDRO COc1cccc(C[C@H](C)[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001256164296 1041606509 /nfs/dbraw/zinc/60/65/09/1041606509.db2.gz NUIRONYKIMBDOK-UUOWRZLLSA-N 1 0 389.499 3.627 20 30 GHEDRO CC(C)(C)NS(=O)(=O)c1cccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001236283529 1041659604 /nfs/dbraw/zinc/65/96/04/1041659604.db2.gz QHDDSFTVUQVDIW-UHFFFAOYSA-N 1 0 397.544 3.575 20 30 GHEDRO C#CCOc1ccc(CN(Cc2ccccc2F)C2CC[NH2+]CC2)cc1OC ZINC001236371728 1041684910 /nfs/dbraw/zinc/68/49/10/1041684910.db2.gz NLIOFPWGPFWJEG-UHFFFAOYSA-N 1 0 382.479 3.601 20 30 GHEDRO COc1ccc2sc(C[N@@H+]3CCCN(c4ccc(C#N)cn4)CC3)cc2c1 ZINC001236664244 1041812157 /nfs/dbraw/zinc/81/21/57/1041812157.db2.gz VKSNZBHJNXIFHN-UHFFFAOYSA-N 1 0 378.501 3.889 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(O)cc(OC)cc1Cl)[C@H]2CC ZINC001236796329 1041900639 /nfs/dbraw/zinc/90/06/39/1041900639.db2.gz TWGSNSJUQYLVOO-FPOVZHCZSA-N 1 0 392.927 3.976 20 30 GHEDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(C#N)c(Br)c1)CC2 ZINC001236858692 1041931255 /nfs/dbraw/zinc/93/12/55/1041931255.db2.gz JOYBWPXXHQJJFA-QGZVFWFLSA-N 1 0 393.325 3.586 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001237274894 1042118559 /nfs/dbraw/zinc/11/85/59/1042118559.db2.gz MACWDEPLCDTZAQ-UHFFFAOYSA-N 1 0 384.955 3.680 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3[nH]c(C(=O)OC)cc3c1)C2 ZINC001237309910 1042138967 /nfs/dbraw/zinc/13/89/67/1042138967.db2.gz JPEQUCIYNSXIJG-FYYLOGMGSA-N 1 0 398.503 3.528 20 30 GHEDRO C=C(C)COc1ccccc1CN1CC[NH2+]C[C@H]1c1cccc(C(=O)OC)c1 ZINC001237444051 1042209801 /nfs/dbraw/zinc/20/98/01/1042209801.db2.gz OCRNADGTZYOYFQ-NRFANRHFSA-N 1 0 380.488 3.575 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3cn(C)c4ccc(C#N)cc34)CC2)[C@H]1c1ccccc1 ZINC001237470192 1042221910 /nfs/dbraw/zinc/22/19/10/1042221910.db2.gz UKFZDARHKKTLKJ-HSZRJFAPSA-N 1 0 398.510 3.845 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)c2cccc(F)c2NC3=O)c2cc(C#N)ccc21 ZINC001237470009 1042222097 /nfs/dbraw/zinc/22/20/97/1042222097.db2.gz SYFMLMCCAYBFOM-UHFFFAOYSA-N 1 0 388.446 3.675 20 30 GHEDRO Cn1cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c2cc(C#N)ccc21 ZINC001237473732 1042224448 /nfs/dbraw/zinc/22/44/48/1042224448.db2.gz SOXLNTQTZIVFSK-UHFFFAOYSA-N 1 0 381.483 3.920 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)nc(C(F)(F)F)c3)C2)C1=O ZINC001237496823 1042236263 /nfs/dbraw/zinc/23/62/63/1042236263.db2.gz XDTGUVKPOGZPRS-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c(F)cc1F ZINC001237526231 1042251396 /nfs/dbraw/zinc/25/13/96/1042251396.db2.gz MTBHFZGWLQXTDK-UHFFFAOYSA-N 1 0 385.389 3.605 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccnc(OC(F)F)c3)C2)CC1 ZINC001237612006 1042280572 /nfs/dbraw/zinc/28/05/72/1042280572.db2.gz RZWANZFLGGOOHO-UHFFFAOYSA-N 1 0 395.450 3.684 20 30 GHEDRO N#Cc1ccc2nc(CN3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cn2c1 ZINC001237614807 1042281404 /nfs/dbraw/zinc/28/14/04/1042281404.db2.gz RSTBLVURJVOPEQ-QHCPKHFHSA-N 1 0 389.478 3.586 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1C1CCOCC1)CC2 ZINC001237900255 1042415478 /nfs/dbraw/zinc/41/54/78/1042415478.db2.gz VGEDMMAVWOYADZ-UHFFFAOYSA-N 1 0 384.520 3.801 20 30 GHEDRO CN(Cc1ccco1)[C@@H]1CN(Cc2ccc(C#N)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001238084928 1042486700 /nfs/dbraw/zinc/48/67/00/1042486700.db2.gz XKSVJOKUHMXWTC-NJYVYQBISA-N 1 0 385.895 3.668 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)ccc1Cl ZINC001238190648 1042514283 /nfs/dbraw/zinc/51/42/83/1042514283.db2.gz IBQAADATAWIKDU-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)ccc1C#N ZINC001238406408 1042586322 /nfs/dbraw/zinc/58/63/22/1042586322.db2.gz CLGIXKJGXPIGON-ACIOBRDBSA-N 1 0 390.531 3.694 20 30 GHEDRO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(-c2ccccc2)cn1 ZINC001238599437 1042652891 /nfs/dbraw/zinc/65/28/91/1042652891.db2.gz QAMGOLLVGPVJND-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](Cc3cccc(-c4ccc(Cl)cn4)c3)CC2)c1 ZINC001238640370 1042666215 /nfs/dbraw/zinc/66/62/15/1042666215.db2.gz LCBHHZSDTNBZRB-UHFFFAOYSA-N 1 0 389.890 3.991 20 30 GHEDRO CCc1cc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)ccc1C#N ZINC001238760103 1042717599 /nfs/dbraw/zinc/71/75/99/1042717599.db2.gz DQDAXUVCSGXOGO-UHFFFAOYSA-N 1 0 375.520 3.793 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)ccc1C#N ZINC001238761553 1042718495 /nfs/dbraw/zinc/71/84/95/1042718495.db2.gz DQRFDQDKPDHBKW-JOCHJYFZSA-N 1 0 394.544 3.510 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)ccc1C#N ZINC001238774715 1042723080 /nfs/dbraw/zinc/72/30/80/1042723080.db2.gz KKBMBBRNPOVWGX-OAQYLSRUSA-N 1 0 397.473 3.648 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)ccc1C#N ZINC001238776981 1042723799 /nfs/dbraw/zinc/72/37/99/1042723799.db2.gz YCKAJBJIHRNCMD-DQEYMECFSA-N 1 0 387.527 3.885 20 30 GHEDRO CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1 ZINC001239128932 1042769993 /nfs/dbraw/zinc/76/99/93/1042769993.db2.gz GQUZPDXPWJWQMR-UHFFFAOYSA-N 1 0 397.544 3.575 20 30 GHEDRO CCCCCCCCOC(=O)N[C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001239323836 1042808668 /nfs/dbraw/zinc/80/86/68/1042808668.db2.gz LIYJOWBORNBJHN-IBGZPJMESA-N 1 0 378.513 3.924 20 30 GHEDRO Cc1ccc2c(c1)C1(C[C@H]2NC(=S)Nc2ccccc2C#N)CC[NH2+]CC1 ZINC001239362011 1042813419 /nfs/dbraw/zinc/81/34/19/1042813419.db2.gz CHMPNVZEBNSUGK-HXUWFJFHSA-N 1 0 376.529 3.919 20 30 GHEDRO Cc1cccc2c1C1(C[C@H]2NC(=S)Nc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC001239374058 1042815916 /nfs/dbraw/zinc/81/59/16/1042815916.db2.gz PRMGMSIFCFIZJE-LJQANCHMSA-N 1 0 376.529 3.919 20 30 GHEDRO CCCCCCCCCNC(=S)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001239392298 1042821282 /nfs/dbraw/zinc/82/12/82/1042821282.db2.gz LJDFEWGEZZRLKV-UHFFFAOYSA-N 1 0 376.614 3.918 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001239393024 1042821535 /nfs/dbraw/zinc/82/15/35/1042821535.db2.gz YYICRWKHBNRBDD-UHFFFAOYSA-N 1 0 384.936 3.819 20 30 GHEDRO N#Cc1cccc(NC(=S)NCC2(Cc3ccccc3F)CC[NH2+]CC2)c1 ZINC001239393449 1042821670 /nfs/dbraw/zinc/82/16/70/1042821670.db2.gz ALUVFSMSDVARRI-UHFFFAOYSA-N 1 0 382.508 3.596 20 30 GHEDRO N#CC1(c2cccnc2-c2ccc(C(N)=O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001239868987 1042854613 /nfs/dbraw/zinc/85/46/13/1042854613.db2.gz KLSTYPJVJVITRT-UHFFFAOYSA-N 1 0 396.494 3.905 20 30 GHEDRO COc1ccc(NC(=O)c2cccnc2-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240337461 1042921978 /nfs/dbraw/zinc/92/19/78/1042921978.db2.gz JWVPBCVXACYOOY-UHFFFAOYSA-N 1 0 384.439 3.568 20 30 GHEDRO CN1CC[NH+](Cc2ccc(-c3nc4c(c(C#N)c3C#N)CCCCCC4)cc2)CC1 ZINC001240398547 1042926030 /nfs/dbraw/zinc/92/60/30/1042926030.db2.gz XWWNWTZUTJYHJS-UHFFFAOYSA-N 1 0 399.542 3.898 20 30 GHEDRO N#Cc1ccc(-c2ccccc2)nc1-c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001240811626 1042955208 /nfs/dbraw/zinc/95/52/08/1042955208.db2.gz BNBNLCYTFVYLPD-UHFFFAOYSA-N 1 0 380.451 3.861 20 30 GHEDRO N#Cc1cc2ccc(-c3ccc4c(c3)C3(CC[NH2+]CC3)C(=O)N4)cc2cc1C#N ZINC001240819142 1042956652 /nfs/dbraw/zinc/95/66/52/1042956652.db2.gz ZNZQEQZWUUNEMA-UHFFFAOYSA-N 1 0 378.435 3.823 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H]1C ZINC001291155110 1043113434 /nfs/dbraw/zinc/11/34/34/1043113434.db2.gz LAPGOBBMZZRODB-ZWKOTPCHSA-N 1 0 380.540 3.782 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001291442168 1043259017 /nfs/dbraw/zinc/25/90/17/1043259017.db2.gz ZFTZSYPIUMMLQG-OXJNMPFZSA-N 1 0 380.540 3.640 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256540589 1043491354 /nfs/dbraw/zinc/49/13/54/1043491354.db2.gz GOLVQZKMCZPQQX-TZIWHRDSSA-N 1 0 394.563 3.534 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC001292044626 1043574591 /nfs/dbraw/zinc/57/45/91/1043574591.db2.gz JNXIMVKCACFXAB-UHFFFAOYSA-N 1 0 387.527 3.771 20 30 GHEDRO CN(C(=O)OC(C)(C)C)C1CCC([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001256670891 1043611371 /nfs/dbraw/zinc/61/13/71/1043611371.db2.gz FUJJMVGCIZITBQ-UHFFFAOYSA-N 1 0 398.551 3.858 20 30 GHEDRO N#Cc1ccc(C2CCC(n3cc(C[C@@H]([NH3+])C(N)=O)c4ccccc43)CC2)cc1 ZINC001257010950 1043798701 /nfs/dbraw/zinc/79/87/01/1043798701.db2.gz NQNXXKGLCOFDLK-ZOGYUUGASA-N 1 0 386.499 3.767 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]C3(CC4CC4)CCS(=O)(=O)CC3)CC2)cc1 ZINC001257013985 1043799167 /nfs/dbraw/zinc/79/91/67/1043799167.db2.gz MMRZQZLHSCBDDI-UHFFFAOYSA-N 1 0 386.561 3.922 20 30 GHEDRO CCOC(=O)c1cnc2n1CC[N@H+](C1CCC(c3ccc(C#N)cc3)CC1)CC2 ZINC001257019568 1043804974 /nfs/dbraw/zinc/80/49/74/1043804974.db2.gz QOZFROGASPYDRJ-UHFFFAOYSA-N 1 0 392.503 3.516 20 30 GHEDRO CC[C@@H]1C[C@H](N2CC(Oc3ccccc3C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257143461 1043893323 /nfs/dbraw/zinc/89/33/23/1043893323.db2.gz NODLQFAUZRKMCJ-QZTJIDSGSA-N 1 0 385.508 3.799 20 30 GHEDRO CC(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CCN1C(=O)OC(C)(C)C ZINC001257193778 1043929473 /nfs/dbraw/zinc/92/94/73/1043929473.db2.gz RMBUJOVUQNXQGC-YESZJQIVSA-N 1 0 380.554 3.685 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+]([C@@H](C)CCc2ccc3cc(OC)ccc3c2)CC1 ZINC001257283830 1043956049 /nfs/dbraw/zinc/95/60/49/1043956049.db2.gz ALFXBSZSAUYQQX-KRWDZBQOSA-N 1 0 380.488 3.948 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H](C)CCC(=O)OCCCC)C2)C1 ZINC001257393850 1043981020 /nfs/dbraw/zinc/98/10/20/1043981020.db2.gz UTPULXJKHFZEQL-NQIIRXRSSA-N 1 0 380.529 3.609 20 30 GHEDRO CCCCOC(=O)CC[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001257403571 1043987750 /nfs/dbraw/zinc/98/77/50/1043987750.db2.gz UHVLUARMSXPWDN-KRWDZBQOSA-N 1 0 388.508 3.922 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cccc(C#N)c2C)c1 ZINC001257527852 1044033576 /nfs/dbraw/zinc/03/35/76/1044033576.db2.gz AFMGIYAMKGGRKG-UHFFFAOYSA-N 1 0 379.460 3.618 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001293461469 1044192159 /nfs/dbraw/zinc/19/21/59/1044192159.db2.gz JTRPIZNRPQSDCY-QGZVFWFLSA-N 1 0 380.540 3.641 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3OC[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@@H]43)C[C@H](C1)C2 ZINC001257886908 1044244718 /nfs/dbraw/zinc/24/47/18/1044244718.db2.gz PJNHBSBMYPGKIB-XZLWQYILSA-N 1 0 390.568 3.983 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C3C[C@@H]4COC[C@H](C3)N4C(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC001257886623 1044244956 /nfs/dbraw/zinc/24/49/56/1044244956.db2.gz KRKZOZGDYGGLLJ-QUJWTWPPSA-N 1 0 376.541 3.878 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]CC(=O)NCC(=O)Nc3ccc4ccccc4c3)C[C@H](C1)C2 ZINC001257890532 1044246266 /nfs/dbraw/zinc/24/62/66/1044246266.db2.gz YEBCDWHXPJNEMZ-VSOVRNOCSA-N 1 0 391.515 3.619 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CC3)OCC(=O)N(c3cccnc3)[C@@H]4C)C[C@H](C1)C2 ZINC001257892155 1044247053 /nfs/dbraw/zinc/24/70/53/1044247053.db2.gz VCCOOOAGYCKOOK-XBMXVBEASA-N 1 0 395.547 3.803 20 30 GHEDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc(C(C)(C)CCC#N)cc3)o2)C[C@H](C)O1 ZINC001258019611 1044345410 /nfs/dbraw/zinc/34/54/10/1044345410.db2.gz NXJHOTYFDOFPAK-CALCHBBNSA-N 1 0 382.508 3.970 20 30 GHEDRO CCOC(=O)CC1CCC([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001258027247 1044352803 /nfs/dbraw/zinc/35/28/03/1044352803.db2.gz UZQVDELMUXMFBG-UHFFFAOYSA-N 1 0 383.536 3.624 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCC(CC(=O)OCC)CC1)CC2 ZINC001258032805 1044360472 /nfs/dbraw/zinc/36/04/72/1044360472.db2.gz LMKSOGNNIKDUBX-OBFZPWGMSA-N 1 0 376.541 3.532 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001258048286 1044370530 /nfs/dbraw/zinc/37/05/30/1044370530.db2.gz SGGXMTWNNJHPQV-KJXAQDMKSA-N 1 0 387.568 3.928 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)CC1 ZINC001293931719 1044386623 /nfs/dbraw/zinc/38/66/23/1044386623.db2.gz BGYXSOKRYMZMMH-UHFFFAOYSA-N 1 0 384.426 3.975 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](C4CCCCCCC4)C3)C2)n1 ZINC001258237443 1044480542 /nfs/dbraw/zinc/48/05/42/1044480542.db2.gz KNADMMGCVVPGKK-HSZRJFAPSA-N 1 0 382.552 3.985 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCN(c3cccc(F)c3)CC1)C2 ZINC001258421215 1044554131 /nfs/dbraw/zinc/55/41/31/1044554131.db2.gz CNGGAQNMAUETAK-XZOQPEGZSA-N 1 0 388.527 3.868 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)CC#N ZINC001294318996 1044582552 /nfs/dbraw/zinc/58/25/52/1044582552.db2.gz XYLDRAGQFSSJFI-CEXWTWQISA-N 1 0 388.560 3.523 20 30 GHEDRO C=CCOCc1nn([C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c2c1C[NH2+]C2 ZINC001258559955 1044638399 /nfs/dbraw/zinc/63/83/99/1044638399.db2.gz VGUGOXHTNUJHBF-OAHLLOKOSA-N 1 0 390.528 3.540 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](C3CCN(C(=O)c4ccccc4)CC3)C2)cc1 ZINC001258648264 1044687877 /nfs/dbraw/zinc/68/78/77/1044687877.db2.gz SVJPORKWUQLENE-HSZRJFAPSA-N 1 0 389.499 3.706 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1 ZINC001294755815 1044786714 /nfs/dbraw/zinc/78/67/14/1044786714.db2.gz TXBZNYRGUXQMDJ-IBGZPJMESA-N 1 0 386.588 3.871 20 30 GHEDRO CN(C1CC[NH+](C2CCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259111971 1044966792 /nfs/dbraw/zinc/96/67/92/1044966792.db2.gz GHPQYQFHKWNPCW-UHFFFAOYSA-N 1 0 395.956 3.629 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC001259115121 1044968864 /nfs/dbraw/zinc/96/88/64/1044968864.db2.gz VMRSKGWJYAAMJO-UHFFFAOYSA-N 1 0 395.956 3.535 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)c1 ZINC001259126071 1044973035 /nfs/dbraw/zinc/97/30/35/1044973035.db2.gz JSCIDQHYMCDNNS-NRFANRHFSA-N 1 0 395.528 3.702 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[C@H]2C)C1 ZINC001295505572 1045037270 /nfs/dbraw/zinc/03/72/70/1045037270.db2.gz FFELOELXGMZOJL-LMNJBCLMSA-N 1 0 392.551 3.641 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001295553717 1045050500 /nfs/dbraw/zinc/05/05/00/1045050500.db2.gz JPKAJHDRDPFMES-DYESRHJHSA-N 1 0 392.551 3.783 20 30 GHEDRO CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001296040843 1045231240 /nfs/dbraw/zinc/23/12/40/1045231240.db2.gz ZMIUYPLZRPPCQK-HXUWFJFHSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)[C@H](C)CC#N ZINC001296083829 1045249591 /nfs/dbraw/zinc/24/95/91/1045249591.db2.gz ICYFIWOPIBDDAT-RTBURBONSA-N 1 0 380.540 3.866 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCCC2)C[C@H]1C ZINC001296150753 1045265138 /nfs/dbraw/zinc/26/51/38/1045265138.db2.gz PNTOCGRDOKHLAC-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC001297377885 1045506129 /nfs/dbraw/zinc/50/61/29/1045506129.db2.gz CQZWEZQVNCEDJD-UHFFFAOYSA-N 1 0 386.521 3.972 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC001298028572 1045680119 /nfs/dbraw/zinc/68/01/19/1045680119.db2.gz LDCLJKPKAPESES-KNQAVFIVSA-N 1 0 378.524 3.588 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C#N)CC1)c1cccc(F)c1 ZINC001298029563 1045681542 /nfs/dbraw/zinc/68/15/42/1045681542.db2.gz RZBWSKKYITZHHV-FQEVSTJZSA-N 1 0 396.514 3.728 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(N2CCC(C#N)CC2)nnc1C(C)(C)C)c1cccc(F)c1 ZINC001298040013 1045684657 /nfs/dbraw/zinc/68/46/57/1045684657.db2.gz LSTWEMAKRRZPSU-LJQANCHMSA-N 1 0 398.530 3.758 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1CC1([NH+](C)C)CCCC1 ZINC001298285250 1045764732 /nfs/dbraw/zinc/76/47/32/1045764732.db2.gz DTVDIFRRBFCJKL-UHFFFAOYSA-N 1 0 392.551 3.613 20 30 GHEDRO CN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCCC1 ZINC001298491737 1045833875 /nfs/dbraw/zinc/83/38/75/1045833875.db2.gz YRMQBJRTQZBIKU-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO CN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001298508732 1045842698 /nfs/dbraw/zinc/84/26/98/1045842698.db2.gz SVOUXZJEOMBYHD-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001298875208 1045972885 /nfs/dbraw/zinc/97/28/85/1045972885.db2.gz INBRPBQFQBBGHP-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)CC1 ZINC001261884034 1046124962 /nfs/dbraw/zinc/12/49/62/1046124962.db2.gz XOBDQKIDKUEXFD-UHFFFAOYSA-N 1 0 390.487 3.694 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccsc2C#N)CCCC1)c1ccccc1 ZINC001463035693 1070746495 /nfs/dbraw/zinc/74/64/95/1070746495.db2.gz NMBVBOXDUXBWEX-HNNXBMFYSA-N 1 0 389.546 3.562 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300906033 1046233563 /nfs/dbraw/zinc/23/35/63/1046233563.db2.gz YWSAPPKGXLUSLH-IBGZPJMESA-N 1 0 392.551 3.951 20 30 GHEDRO C=C(Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001301007431 1046286922 /nfs/dbraw/zinc/28/69/22/1046286922.db2.gz KCHQAQRBOBWARQ-UHFFFAOYSA-N 1 0 390.535 3.765 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001301029030 1046296307 /nfs/dbraw/zinc/29/63/07/1046296307.db2.gz FAJKUZFGNQQORI-JKSUJKDBSA-N 1 0 389.931 3.625 20 30 GHEDRO C=C1CCN(c2nnc(C(C)C)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001301064586 1046316554 /nfs/dbraw/zinc/31/65/54/1046316554.db2.gz XXUYDGMQWAVPIA-UHFFFAOYSA-N 1 0 397.567 3.741 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301079175 1046324353 /nfs/dbraw/zinc/32/43/53/1046324353.db2.gz AVSAPQMFWPETOU-FQEVSTJZSA-N 1 0 394.567 3.925 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001301119557 1046356070 /nfs/dbraw/zinc/35/60/70/1046356070.db2.gz NMYMTNXPOROMQA-GOSISDBHSA-N 1 0 383.515 3.828 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301154003 1046374971 /nfs/dbraw/zinc/37/49/71/1046374971.db2.gz INRSJAQOFHOXHV-QUCCMNQESA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301231783 1046418667 /nfs/dbraw/zinc/41/86/67/1046418667.db2.gz PZCDFASGXDXKLS-PMACEKPBSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC[N@H+]1CC ZINC001301270799 1046442694 /nfs/dbraw/zinc/44/26/94/1046442694.db2.gz OSFPVWWCMSUWGV-MRXNPFEDSA-N 1 0 391.466 3.653 20 30 GHEDRO C=CCN(c1nnc(C(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC001301312523 1046476461 /nfs/dbraw/zinc/47/64/61/1046476461.db2.gz FTWVMEGVDPLFQY-IRXDYDNUSA-N 1 0 389.588 3.618 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC=CCC1)C(C)C ZINC001301371475 1046512444 /nfs/dbraw/zinc/51/24/44/1046512444.db2.gz PTXKENFKLAYAGX-WOJBJXKFSA-N 1 0 385.556 3.595 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001301384815 1046519513 /nfs/dbraw/zinc/51/95/13/1046519513.db2.gz VDJUZVJIWNPOKJ-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC001301518629 1046576378 /nfs/dbraw/zinc/57/63/78/1046576378.db2.gz LYSDDJFHPZPSMP-RBUKOAKNSA-N 1 0 397.567 3.935 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)[C@@H](C#N)c1cccc(F)n1 ZINC001263383232 1046767742 /nfs/dbraw/zinc/76/77/42/1046767742.db2.gz QRKHRPQOKMDBEY-WMZOPIPTSA-N 1 0 381.451 3.964 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCC1 ZINC001302735556 1047076413 /nfs/dbraw/zinc/07/64/13/1047076413.db2.gz CGJCKVFSGUYHCE-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001302820618 1047123878 /nfs/dbraw/zinc/12/38/78/1047123878.db2.gz RGRGSQNABUFFAV-XMSQKQJNSA-N 1 0 388.604 3.973 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001303173274 1047304143 /nfs/dbraw/zinc/30/41/43/1047304143.db2.gz QVZPEFRLHXOIND-VQTJNVASSA-N 1 0 394.567 3.909 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001303173273 1047304208 /nfs/dbraw/zinc/30/42/08/1047304208.db2.gz QVZPEFRLHXOIND-UXHICEINSA-N 1 0 394.567 3.909 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1)[NH+](C)C ZINC001303695392 1047483680 /nfs/dbraw/zinc/48/36/80/1047483680.db2.gz INFVUHVRZXWDIO-QFUCXCTJSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001303696874 1047484219 /nfs/dbraw/zinc/48/42/19/1047484219.db2.gz UHZFUMBUDXEYJB-KSFYIVLOSA-N 1 0 392.507 3.771 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)[N@H+](C)C1CC1 ZINC001303701498 1047486542 /nfs/dbraw/zinc/48/65/42/1047486542.db2.gz QTPRQTKUGYACLA-KSFYIVLOSA-N 1 0 396.514 3.697 20 30 GHEDRO C[C@@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001303755745 1047505243 /nfs/dbraw/zinc/50/52/43/1047505243.db2.gz YMFMBACUWJUSFF-GCJKJVERSA-N 1 0 386.588 3.828 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCC[N@@H+]2C2CC2)o1 ZINC001304294615 1047636974 /nfs/dbraw/zinc/63/69/74/1047636974.db2.gz SEUIKZPQCYQJOL-YJBOKZPZSA-N 1 0 382.512 3.602 20 30 GHEDRO C=CCCCCC[NH2+][C@@]12CC[C@@](NC(=O)Cn3cc(Cl)cn3)(C1)CCC2 ZINC001279270395 1047752887 /nfs/dbraw/zinc/75/28/87/1047752887.db2.gz ALGSDZIMERFBBZ-VQTJNVASSA-N 1 0 378.948 3.834 20 30 GHEDRO Cc1nnc(N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001304869461 1047795221 /nfs/dbraw/zinc/79/52/21/1047795221.db2.gz SCZGCAPFSFEIRW-IRLDBZIGSA-N 1 0 392.551 3.595 20 30 GHEDRO C[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001304961064 1047822964 /nfs/dbraw/zinc/82/29/64/1047822964.db2.gz NPMXTEFOLWGLIB-OALUTQOASA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001305014522 1047837790 /nfs/dbraw/zinc/83/77/90/1047837790.db2.gz GXAVHSCBAYVFRV-GCJKJVERSA-N 1 0 396.514 3.652 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001305144051 1047916604 /nfs/dbraw/zinc/91/66/04/1047916604.db2.gz UOPANSAGEPCYBW-IAGOWNOFSA-N 1 0 380.540 3.639 20 30 GHEDRO Cc1csc(C[NH+]2CCC3(C[C@@H]3C(=O)NC3(C#N)CCC3)CC2)c1Cl ZINC001279877596 1047978092 /nfs/dbraw/zinc/97/80/92/1047978092.db2.gz VOJAARIYMNLOGC-CQSZACIVSA-N 1 0 377.941 3.875 20 30 GHEDRO CCCCCCCNC(=S)N1CC2(C1)CC[N@H+](Cc1scnc1C)C2 ZINC001279957529 1048011160 /nfs/dbraw/zinc/01/11/60/1048011160.db2.gz WBPVLDNNKVGSRO-UHFFFAOYSA-N 1 0 380.627 3.804 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CCC3(C2)CC[NH+](CC2CCSCC2)CC3)CCC1 ZINC001280168234 1048113034 /nfs/dbraw/zinc/11/30/34/1048113034.db2.gz SZMPAYPNEBOCDH-SFHVURJKSA-N 1 0 375.582 3.574 20 30 GHEDRO CC(C)=CCC[C@@H](C)C[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1(C#N)CCC1 ZINC001280250035 1048147046 /nfs/dbraw/zinc/14/70/46/1048147046.db2.gz ZNVUWDWEYVAWPV-QZTJIDSGSA-N 1 0 375.582 3.739 20 30 GHEDRO CCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001280270180 1048154027 /nfs/dbraw/zinc/15/40/27/1048154027.db2.gz RCVNUTKSVBPRQC-HNNXBMFYSA-N 1 0 375.563 3.655 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001305582065 1048154397 /nfs/dbraw/zinc/15/43/97/1048154397.db2.gz PGEVSUXXERRRPY-OXQOHEQNSA-N 1 0 380.540 3.639 20 30 GHEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1)[NH+](C)C ZINC001305709088 1048225279 /nfs/dbraw/zinc/22/52/79/1048225279.db2.gz NCMRNXHHKZBRCO-FQEVSTJZSA-N 1 0 380.540 3.782 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CCC[N@@H+](C)C(C)C ZINC001286288725 1048256988 /nfs/dbraw/zinc/25/69/88/1048256988.db2.gz JPVVJHUDXXHNEZ-GOSISDBHSA-N 1 0 390.535 3.682 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001286296488 1048261060 /nfs/dbraw/zinc/26/10/60/1048261060.db2.gz PLKMNAJSSBFFFL-GOSISDBHSA-N 1 0 381.568 3.825 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)(C)C)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001286377035 1048297903 /nfs/dbraw/zinc/29/79/03/1048297903.db2.gz QYDDRIYZCAIJGD-NRFANRHFSA-N 1 0 393.579 3.847 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286418453 1048313194 /nfs/dbraw/zinc/31/31/94/1048313194.db2.gz CBVUNXRXYGXYRU-NHCUHLMSSA-N 1 0 397.611 3.797 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CC[N@@H+](C)CCCC ZINC001286423768 1048314496 /nfs/dbraw/zinc/31/44/96/1048314496.db2.gz NUXJPGVASYUKCV-UHFFFAOYSA-N 1 0 397.954 3.793 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286428169 1048316517 /nfs/dbraw/zinc/31/65/17/1048316517.db2.gz PZZFMSVVPKNBRR-JOCHJYFZSA-N 1 0 395.595 3.737 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001286447998 1048328647 /nfs/dbraw/zinc/32/86/47/1048328647.db2.gz YFSZQKZSOPJUTJ-FQEVSTJZSA-N 1 0 399.970 3.856 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286519863 1048346817 /nfs/dbraw/zinc/34/68/17/1048346817.db2.gz NDIUXVVGECAOOU-SFYKDHMMSA-N 1 0 394.567 3.633 20 30 GHEDRO C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286540744 1048356180 /nfs/dbraw/zinc/35/61/80/1048356180.db2.gz CZTSFADLLCDKKW-HUUCEWRRSA-N 1 0 398.393 3.694 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001286643190 1048408078 /nfs/dbraw/zinc/40/80/78/1048408078.db2.gz CYACHMVYFSQGJF-KRWDZBQOSA-N 1 0 397.523 3.561 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286643960 1048409096 /nfs/dbraw/zinc/40/90/96/1048409096.db2.gz CDGKUFNNAMWVHK-MOPGFXCFSA-N 1 0 380.540 3.617 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001286645977 1048412456 /nfs/dbraw/zinc/41/24/56/1048412456.db2.gz KCRMVWUOOZTBHL-WOJBJXKFSA-N 1 0 387.572 3.593 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001286647404 1048413568 /nfs/dbraw/zinc/41/35/68/1048413568.db2.gz GHSYCJWQBQREBS-UHFFFAOYSA-N 1 0 394.567 3.542 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286662005 1048427459 /nfs/dbraw/zinc/42/74/59/1048427459.db2.gz SJLMIHNXMDXROU-IBGZPJMESA-N 1 0 382.556 3.796 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286662481 1048427835 /nfs/dbraw/zinc/42/78/35/1048427835.db2.gz MOUYBPICUIFKHN-IBGZPJMESA-N 1 0 385.581 3.673 20 30 GHEDRO C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286687936 1048449339 /nfs/dbraw/zinc/44/93/39/1048449339.db2.gz STTMWPOLZHPCTR-FHWLQOOXSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001286694273 1048454818 /nfs/dbraw/zinc/45/48/18/1048454818.db2.gz PQBDQIBFBKJKAQ-IBGZPJMESA-N 1 0 397.567 3.631 20 30 GHEDRO C=CCN(C)c1nnc(CC(C)C)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001286724092 1048481297 /nfs/dbraw/zinc/48/12/97/1048481297.db2.gz FGKZDFKPCNXECK-OAQYLSRUSA-N 1 0 381.568 3.663 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286725516 1048483253 /nfs/dbraw/zinc/48/32/53/1048483253.db2.gz VBHVNTFAYRQJOX-SFTDATJTSA-N 1 0 397.567 3.877 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001286730027 1048487345 /nfs/dbraw/zinc/48/73/45/1048487345.db2.gz LCIVGMULLVOFCJ-HXUWFJFHSA-N 1 0 381.568 3.806 20 30 GHEDRO C=CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC001286734161 1048492452 /nfs/dbraw/zinc/49/24/52/1048492452.db2.gz OPWABPFFEPNBKW-SFHVURJKSA-N 1 0 395.551 3.840 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001286741216 1048499801 /nfs/dbraw/zinc/49/98/01/1048499801.db2.gz IKMOXMFTMYNBEY-OAQYLSRUSA-N 1 0 392.551 3.779 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286753272 1048506223 /nfs/dbraw/zinc/50/62/23/1048506223.db2.gz ZRFNDFIRBPDYRC-IBGZPJMESA-N 1 0 390.535 3.727 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001286761006 1048514646 /nfs/dbraw/zinc/51/46/46/1048514646.db2.gz WJZQIEWKXKYSGT-NHCUHLMSSA-N 1 0 395.551 3.919 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CC[NH+]1CCCCCC1 ZINC001286764646 1048515954 /nfs/dbraw/zinc/51/59/54/1048515954.db2.gz VYKHILKGXIKHHS-UHFFFAOYSA-N 1 0 383.540 3.860 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001286800828 1048529185 /nfs/dbraw/zinc/52/91/85/1048529185.db2.gz RJYYLHKWYIGGKH-OAQYLSRUSA-N 1 0 397.567 3.683 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C#N)C(C)C ZINC001286964189 1048556256 /nfs/dbraw/zinc/55/62/56/1048556256.db2.gz DHONETDDUBZOGF-QGZVFWFLSA-N 1 0 386.519 3.799 20 30 GHEDRO CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC1)[NH+]1CCCCC1 ZINC001287088490 1048593666 /nfs/dbraw/zinc/59/36/66/1048593666.db2.gz QCTICUGBCDRVBI-UHFFFAOYSA-N 1 0 378.524 3.681 20 30 GHEDRO CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001287103839 1048598699 /nfs/dbraw/zinc/59/86/99/1048598699.db2.gz WWZDRPICQCWPDJ-RXVVDRJESA-N 1 0 390.535 3.846 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CC)C1 ZINC001306366522 1048604431 /nfs/dbraw/zinc/60/44/31/1048604431.db2.gz HKCYPYPTVNVILA-ROUUACIJSA-N 1 0 380.540 3.783 20 30 GHEDRO CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001287256218 1048686475 /nfs/dbraw/zinc/68/64/75/1048686475.db2.gz WOCWMOLYAWEIIM-NRFANRHFSA-N 1 0 390.535 3.561 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001287949015 1048955786 /nfs/dbraw/zinc/95/57/86/1048955786.db2.gz YFJVVPXJPFUJMY-KRWDZBQOSA-N 1 0 390.325 3.848 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001287984888 1048962216 /nfs/dbraw/zinc/96/22/16/1048962216.db2.gz RCLLPJJRHTVNKM-SFHVURJKSA-N 1 0 395.555 3.524 20 30 GHEDRO CC(C)(CNc1ncc(Br)cc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC001306925634 1048962288 /nfs/dbraw/zinc/96/22/88/1048962288.db2.gz VGAFAHDIQMLDKW-UHFFFAOYSA-N 1 0 385.309 3.965 20 30 GHEDRO COC(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c(C#N)n1 ZINC001306939745 1048969811 /nfs/dbraw/zinc/96/98/11/1048969811.db2.gz IDZYTRCZCNAPPV-NRFANRHFSA-N 1 0 378.476 3.625 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3nc(C)c(C#N)cc3Cl)cc2F)CC1 ZINC001306959069 1048979631 /nfs/dbraw/zinc/97/96/31/1048979631.db2.gz HISNRIAZVXZLRO-UHFFFAOYSA-N 1 0 387.890 3.808 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001288515381 1049122466 /nfs/dbraw/zinc/12/24/66/1049122466.db2.gz ZLXORPRNSDPRKG-HUUCEWRRSA-N 1 0 386.931 3.820 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001288530205 1049129665 /nfs/dbraw/zinc/12/96/65/1049129665.db2.gz OGADYVINDCQUMB-APWZRJJASA-N 1 0 398.580 3.686 20 30 GHEDRO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001288692011 1049201203 /nfs/dbraw/zinc/20/12/03/1049201203.db2.gz YSNQSDXGVRZNDN-AUSIDOKSSA-N 1 0 398.599 3.873 20 30 GHEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC001307614904 1049451488 /nfs/dbraw/zinc/45/14/88/1049451488.db2.gz CREYNYFMSRTUPR-DYESRHJHSA-N 1 0 386.467 3.520 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+]C3(c4cccc(C#N)c4)CC3)C2)C1 ZINC001307764108 1049577665 /nfs/dbraw/zinc/57/76/65/1049577665.db2.gz URDGHOLFVAQKIY-SIKLNZKXSA-N 1 0 397.519 3.553 20 30 GHEDRO CO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCC2 ZINC001307776150 1049585016 /nfs/dbraw/zinc/58/50/16/1049585016.db2.gz RBBBBXCTIBRDFS-PMACEKPBSA-N 1 0 398.551 3.920 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001307945059 1049714848 /nfs/dbraw/zinc/71/48/48/1049714848.db2.gz WNEMNIWPNUAPEZ-QGZVFWFLSA-N 1 0 377.271 3.627 20 30 GHEDRO COCC1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCCCC1 ZINC001307959121 1049723254 /nfs/dbraw/zinc/72/32/54/1049723254.db2.gz LCRSPDOBAORLLX-UHFFFAOYSA-N 1 0 386.540 3.969 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1c(C)cc(C#N)cc1C)Cc1ccccc1 ZINC001290411570 1049831261 /nfs/dbraw/zinc/83/12/61/1049831261.db2.gz AVOHMKDWAKPIPA-QFIPXVFZSA-N 1 0 377.532 3.787 20 30 GHEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CN(C)C(=O)OC(C)(C)C ZINC001308273177 1049933797 /nfs/dbraw/zinc/93/37/97/1049933797.db2.gz ZHDHZPBVMREUOC-QGZVFWFLSA-N 1 0 375.513 3.962 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(C)c(C#N)c(C)c3)cc2)CC1 ZINC001290859027 1049939812 /nfs/dbraw/zinc/93/98/12/1049939812.db2.gz AZDKMYCTNWKDSM-UHFFFAOYSA-N 1 0 376.504 3.565 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC001308378772 1049962298 /nfs/dbraw/zinc/96/22/98/1049962298.db2.gz OWAYZMGYGNDHBH-UHFFFAOYSA-N 1 0 378.394 3.757 20 30 GHEDRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc(C#N)n1 ZINC001308701010 1050064459 /nfs/dbraw/zinc/06/44/59/1050064459.db2.gz HUGBNTQMXQVDFL-IBGZPJMESA-N 1 0 388.309 3.843 20 30 GHEDRO C#C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1F ZINC001308758780 1050084857 /nfs/dbraw/zinc/08/48/57/1050084857.db2.gz UIKYDANEDWCWHC-SFHVURJKSA-N 1 0 388.830 3.715 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cc2ccccc2s1)C(C)C ZINC001309406490 1050687248 /nfs/dbraw/zinc/68/72/48/1050687248.db2.gz UFOHCYSEGQUKKJ-KRWDZBQOSA-N 1 0 378.563 3.878 20 30 GHEDRO Cc1cccc(S(=O)(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001309616657 1050866359 /nfs/dbraw/zinc/86/63/59/1050866359.db2.gz ZWRZELIJCOJLOL-HXUWFJFHSA-N 1 0 397.544 3.540 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3cccc(F)c3C#N)cc2)CC1 ZINC001329725069 1050893912 /nfs/dbraw/zinc/89/39/12/1050893912.db2.gz ZCRRCIARJXCJSG-UHFFFAOYSA-N 1 0 398.507 3.570 20 30 GHEDRO CCCN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1C#N ZINC001309947000 1051065441 /nfs/dbraw/zinc/06/54/41/1051065441.db2.gz ZIHRRZFARNEQEJ-UHFFFAOYSA-N 1 0 397.544 3.624 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC001331565143 1051326750 /nfs/dbraw/zinc/32/67/50/1051326750.db2.gz JJZBFRPSTICUCV-JOCHJYFZSA-N 1 0 392.499 3.501 20 30 GHEDRO N#Cc1cc(C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cs1 ZINC001332329909 1051501623 /nfs/dbraw/zinc/50/16/23/1051501623.db2.gz KTYINYNMZICRSC-LJQANCHMSA-N 1 0 395.528 3.563 20 30 GHEDRO Cc1nc(NC(=O)NCC#CC[NH+](C)C)sc1Cc1cccc(Cl)c1F ZINC001310742641 1051564149 /nfs/dbraw/zinc/56/41/49/1051564149.db2.gz ZZMRHVWUBLKBGI-UHFFFAOYSA-N 1 0 394.903 3.521 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC001310858271 1051657115 /nfs/dbraw/zinc/65/71/15/1051657115.db2.gz LUJJDCPZJJRUNK-AWEZNQCLSA-N 1 0 389.912 3.796 20 30 GHEDRO COc1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001311120225 1051875404 /nfs/dbraw/zinc/87/54/04/1051875404.db2.gz MXMINHYUAPDVOE-YPGOJHLTSA-N 1 0 392.503 3.845 20 30 GHEDRO COc1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1C#N ZINC001311120482 1051875420 /nfs/dbraw/zinc/87/54/20/1051875420.db2.gz VZETYRDKBPSEPA-HXUWFJFHSA-N 1 0 378.476 3.834 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC001311351021 1052047908 /nfs/dbraw/zinc/04/79/08/1052047908.db2.gz XQFLGNLHHGJHBP-XZOQPEGZSA-N 1 0 391.515 3.896 20 30 GHEDRO C#CCCCc1nnc(N2CCC([NH+](CC)CC)CC2)n1Cc1cccs1 ZINC001336259473 1052247333 /nfs/dbraw/zinc/24/73/33/1052247333.db2.gz WBVUJRUGIPLXJJ-UHFFFAOYSA-N 1 0 385.581 3.654 20 30 GHEDRO C#CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCCc2ccccc21 ZINC001311642926 1052295518 /nfs/dbraw/zinc/29/55/18/1052295518.db2.gz AUZBTPNQASNBIY-ISKFKSNPSA-N 1 0 389.543 3.882 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1C#N ZINC001311809841 1052412427 /nfs/dbraw/zinc/41/24/27/1052412427.db2.gz NNBCAKAESKJTPC-GOSISDBHSA-N 1 0 398.532 3.818 20 30 GHEDRO C#Cc1cccc(CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001312313041 1052689839 /nfs/dbraw/zinc/68/98/39/1052689839.db2.gz DCJGKEVXGQKBQZ-XXBNENTESA-N 1 0 375.516 3.768 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001313004202 1052931387 /nfs/dbraw/zinc/93/13/87/1052931387.db2.gz FSHGGTLALPFMED-FGZHOGPDSA-N 1 0 380.536 3.910 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N(C)Cc1cnccn1 ZINC001342356218 1053125581 /nfs/dbraw/zinc/12/55/81/1053125581.db2.gz VUXOZIKPYJLYHC-FQEVSTJZSA-N 1 0 395.555 3.750 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCCC(F)(F)CC1 ZINC001342455813 1053179190 /nfs/dbraw/zinc/17/91/90/1053179190.db2.gz RMRYUMNWYIPERQ-ALOPSCKCSA-N 1 0 379.499 3.505 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+](CC)CC)CC2)nnc1C1(C#N)CCCCC1 ZINC001342665138 1053287958 /nfs/dbraw/zinc/28/79/58/1053287958.db2.gz VFBKIOBJDILYBR-UHFFFAOYSA-N 1 0 384.572 3.890 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)OCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342826681 1053376843 /nfs/dbraw/zinc/37/68/43/1053376843.db2.gz GXPGITDWBPBWFC-GOSISDBHSA-N 1 0 375.561 3.797 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C2CC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342992190 1053483427 /nfs/dbraw/zinc/48/34/27/1053483427.db2.gz CGMMQENFVFPESM-UHFFFAOYSA-N 1 0 386.569 3.822 20 30 GHEDRO N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC001343401353 1053751011 /nfs/dbraw/zinc/75/10/11/1053751011.db2.gz WPIFKUNYBABRIJ-FCGDIQPGSA-N 1 0 381.501 3.594 20 30 GHEDRO C=C(C)Cn1c(C[C@@H](C)SCC)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343760891 1054005110 /nfs/dbraw/zinc/00/51/10/1054005110.db2.gz SCXDFWZUUBHDON-QGZVFWFLSA-N 1 0 379.618 3.849 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001343983634 1054160399 /nfs/dbraw/zinc/16/03/99/1054160399.db2.gz BPWPYQHWEMTDLH-KRWDZBQOSA-N 1 0 398.580 3.575 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC001318811696 1054888377 /nfs/dbraw/zinc/88/83/77/1054888377.db2.gz OLJIJORDAZMJSY-DNVCBOLYSA-N 1 0 384.505 3.855 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCC[N@@H+]3C3CCCC3)n2C[C@H]2CCOC2)CC1 ZINC001345220682 1054945976 /nfs/dbraw/zinc/94/59/76/1054945976.db2.gz SZDDSURNLQPFRB-TZIWHRDSSA-N 1 0 399.583 3.941 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CCC(C)([NH+]3CCCCC3)CC2)n1CC1CC1 ZINC001345748484 1055240367 /nfs/dbraw/zinc/24/03/67/1055240367.db2.gz ANXIEHZWMGSGMV-SFHVURJKSA-N 1 0 384.572 3.940 20 30 GHEDRO O=C(CC#Cc1ccccc1)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001319520716 1055305391 /nfs/dbraw/zinc/30/53/91/1055305391.db2.gz PAWMPYJMCJTKAK-JOCHJYFZSA-N 1 0 384.483 3.710 20 30 GHEDRO C=CCn1cnn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1=S ZINC001319752234 1055444512 /nfs/dbraw/zinc/44/45/12/1055444512.db2.gz YHLJWGHXEQVTPI-WOJBJXKFSA-N 1 0 383.565 3.544 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1OC(F)F ZINC001320060077 1055628821 /nfs/dbraw/zinc/62/88/21/1055628821.db2.gz QRVGBQJCBIUFAN-LBPRGKRZSA-N 1 0 377.366 3.978 20 30 GHEDRO C=CC[C@@H]1NC(=O)N(C[C@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)C1=O ZINC001320753704 1055950029 /nfs/dbraw/zinc/95/00/29/1055950029.db2.gz DEDVPXWDVJYWQN-JKSUJKDBSA-N 1 0 383.414 3.585 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001300468636 1056205007 /nfs/dbraw/zinc/20/50/07/1056205007.db2.gz GMYIHWHKWZPTJN-IBGZPJMESA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2F)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001300468739 1056206299 /nfs/dbraw/zinc/20/62/99/1056206299.db2.gz KCWASFRXNHYGHD-LJQANCHMSA-N 1 0 397.542 3.732 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)[NH+](CC)CC ZINC001300571715 1056511629 /nfs/dbraw/zinc/51/16/29/1056511629.db2.gz KKJNABDFSOLNBU-GOSISDBHSA-N 1 0 397.954 3.792 20 30 GHEDRO N#Cc1cc(-c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)o2)ccc1Cl ZINC001322113422 1056521982 /nfs/dbraw/zinc/52/19/82/1056521982.db2.gz ICHOWNHQHHJADQ-UHFFFAOYSA-N 1 0 393.878 3.626 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[N@@H+]3CCC[C@H]3C2)c1=S ZINC001322188223 1056558999 /nfs/dbraw/zinc/55/89/99/1056558999.db2.gz UYBWHSXPLLDIKO-SFHVURJKSA-N 1 0 387.528 3.534 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300618258 1056681636 /nfs/dbraw/zinc/68/16/36/1056681636.db2.gz BZBBLRSKJKBZRY-JPYJTQIMSA-N 1 0 394.567 3.619 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC[N@H+]1CC=CCC1 ZINC001300643041 1056754913 /nfs/dbraw/zinc/75/49/13/1056754913.db2.gz ODIMMFFWFUJLOH-IBGZPJMESA-N 1 0 395.526 3.832 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1ccccc1F ZINC001200803539 1056966765 /nfs/dbraw/zinc/96/67/65/1056966765.db2.gz UHLWYIQTFRVSRI-PKTZIBPZSA-N 1 0 381.495 3.764 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)c1C#N ZINC000848371304 1057048691 /nfs/dbraw/zinc/04/86/91/1057048691.db2.gz SODMIKOTLSWZOB-PKNBQFBNSA-N 1 0 392.290 3.782 20 30 GHEDRO C=C[C@@H](COC)[NH2+]Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC001324023432 1057057135 /nfs/dbraw/zinc/05/71/35/1057057135.db2.gz VDDONIRYROVWAH-NSHDSACASA-N 1 0 380.229 3.740 20 30 GHEDRO C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000848396280 1057063350 /nfs/dbraw/zinc/06/33/50/1057063350.db2.gz KKMHFWPXARVQGE-QFBILLFUSA-N 1 0 378.476 3.527 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324115459 1057073552 /nfs/dbraw/zinc/07/35/52/1057073552.db2.gz NLMDHFFCUQODNM-FYDVADAXSA-N 1 0 397.563 3.853 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)cc1C#N ZINC000848536747 1057159188 /nfs/dbraw/zinc/15/91/88/1057159188.db2.gz WDYLAPYMDZXAIQ-LLVKDONJSA-N 1 0 391.265 3.894 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001355864388 1057298026 /nfs/dbraw/zinc/29/80/26/1057298026.db2.gz UZMDKOLYGICXPR-NSHGMRRFSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001355864587 1057298641 /nfs/dbraw/zinc/29/86/41/1057298641.db2.gz XJZGVBCUZHHPDP-OOKSDGMUSA-N 1 0 393.526 3.894 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001325888163 1057380528 /nfs/dbraw/zinc/38/05/28/1057380528.db2.gz BVZQFZVNQCXNQM-VQTJNVASSA-N 1 0 379.464 3.740 20 30 GHEDRO C=CCn1c(-c2scnc2CC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001356185336 1057421595 /nfs/dbraw/zinc/42/15/95/1057421595.db2.gz BZZBLAYVRNGEJD-UHFFFAOYSA-N 1 0 388.585 3.707 20 30 GHEDRO Cc1cc(C)n(-c2ccc(CC[NH2+]CCC(=O)Nc3cccc(C#N)c3)cc2)n1 ZINC001326147212 1057422995 /nfs/dbraw/zinc/42/29/95/1057422995.db2.gz QXOFAPDPEPRACW-UHFFFAOYSA-N 1 0 387.487 3.522 20 30 GHEDRO C[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2C#N)[C@@H]1c1ccc(F)cc1 ZINC001326492663 1057495867 /nfs/dbraw/zinc/49/58/67/1057495867.db2.gz SKMRYRFFDLFKBB-CVEARBPZSA-N 1 0 375.245 3.712 20 30 GHEDRO CCn1c(CCCC#N)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001356488207 1057527142 /nfs/dbraw/zinc/52/71/42/1057527142.db2.gz LHBMWOMXHHWUGL-QHCPKHFHSA-N 1 0 392.551 3.637 20 30 GHEDRO CN(C)C(=[NH+]C[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)N(C)C ZINC000849058706 1057570050 /nfs/dbraw/zinc/57/00/50/1057570050.db2.gz LRAOAJPUIAGMSS-SFHVURJKSA-N 1 0 390.984 3.980 20 30 GHEDRO c1ccc(NC(=[NH+]Cc2nc(COc3ccccc3)n[nH]2)N2CCCCC2)cc1 ZINC000849089487 1057589247 /nfs/dbraw/zinc/58/92/47/1057589247.db2.gz YEDUJSKYYYYSHC-UHFFFAOYSA-N 1 0 390.491 3.838 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@@H]2C1 ZINC001337819375 1058282221 /nfs/dbraw/zinc/28/22/21/1058282221.db2.gz FTFLWAPCZOEOGN-HHXXYDBFSA-N 1 0 384.524 3.930 20 30 GHEDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)[NH+](C)C)cc1 ZINC001439959717 1058365090 /nfs/dbraw/zinc/36/50/90/1058365090.db2.gz HEYMHZAVXQZDSI-IRLDBZIGSA-N 1 0 378.520 3.559 20 30 GHEDRO C[C@@H]1CCc2nc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)c(C#N)cc2C1 ZINC001440103692 1058425281 /nfs/dbraw/zinc/42/52/81/1058425281.db2.gz QOXVDZBOBCDOTL-MJGOQNOKSA-N 1 0 388.515 3.929 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC001441364325 1058767557 /nfs/dbraw/zinc/76/75/57/1058767557.db2.gz WGDBWOSQLFWXEN-KGVIQGDOSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCn1c(C[C@@H](C)SCC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001338939448 1058894554 /nfs/dbraw/zinc/89/45/54/1058894554.db2.gz WJCJLXCCSVAMBW-QGZVFWFLSA-N 1 0 379.618 3.705 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001339130966 1058972885 /nfs/dbraw/zinc/97/28/85/1058972885.db2.gz PJOAMFGHGVYHNW-HKUYNNGSSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001339130968 1058973541 /nfs/dbraw/zinc/97/35/41/1058973541.db2.gz PJOAMFGHGVYHNW-MJGOQNOKSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@@H](O)CC2CCCCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001339155394 1058985601 /nfs/dbraw/zinc/98/56/01/1058985601.db2.gz PIFAKPSRIGFWJP-IBGZPJMESA-N 1 0 389.588 3.779 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001339796350 1059477689 /nfs/dbraw/zinc/47/76/89/1059477689.db2.gz MNEOGZCFNWBJOI-NXOAAHMSSA-N 1 0 379.499 3.533 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339798997 1059482580 /nfs/dbraw/zinc/48/25/80/1059482580.db2.gz UTUZAUWDMNSMCY-QZTJIDSGSA-N 1 0 387.572 3.590 20 30 GHEDRO CCN(c1nnc(CC(C)(C)C#N)n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001340052667 1059654999 /nfs/dbraw/zinc/65/49/99/1059654999.db2.gz ANKQPYSFLOAYKL-PKOBYXMFSA-N 1 0 380.540 3.569 20 30 GHEDRO CCn1c(CCCC#N)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001340295586 1059835517 /nfs/dbraw/zinc/83/55/17/1059835517.db2.gz WAEBCEBMOUQFMA-QUCCMNQESA-N 1 0 380.540 3.634 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N(C)Cc1c(C)noc1C ZINC001340490734 1059950168 /nfs/dbraw/zinc/95/01/68/1059950168.db2.gz LLBXMFMICJQAPB-KRWDZBQOSA-N 1 0 394.523 3.898 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC001340602063 1059991529 /nfs/dbraw/zinc/99/15/29/1059991529.db2.gz YEDXULYXWDVIHJ-UHFFFAOYSA-N 1 0 390.535 3.626 20 30 GHEDRO C=CCn1c([C@H](O)CC(C)(C)C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001340634732 1060006630 /nfs/dbraw/zinc/00/66/30/1060006630.db2.gz HCHZKVGEPPTNTG-GOSISDBHSA-N 1 0 389.588 3.779 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001340777211 1060117163 /nfs/dbraw/zinc/11/71/63/1060117163.db2.gz KKRNQIGZHIEJQO-AZUAARDMSA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC001340778675 1060118325 /nfs/dbraw/zinc/11/83/25/1060118325.db2.gz VQVWNLHPZRVTRY-UEDNFGOZSA-N 1 0 399.583 3.963 20 30 GHEDRO CCn1c(C2CCN(CCC#N)CC2)nnc1N1CCc2cccc(Cl)c2C1 ZINC001341034498 1060345578 /nfs/dbraw/zinc/34/55/78/1060345578.db2.gz BNKAFFXNMAANKX-UHFFFAOYSA-N 1 0 398.942 3.607 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)CC1 ZINC001341148326 1060451268 /nfs/dbraw/zinc/45/12/68/1060451268.db2.gz WMZVFFRVCNZODU-UHFFFAOYSA-N 1 0 394.567 3.729 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001341152017 1060453395 /nfs/dbraw/zinc/45/33/95/1060453395.db2.gz QQUNFPBRFDHWOG-RBUKOAKNSA-N 1 0 380.540 3.664 20 30 GHEDRO C#C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccc(Br)cc1 ZINC001450266666 1060566347 /nfs/dbraw/zinc/56/63/47/1060566347.db2.gz ACOHDPHRRYHYNJ-QGZVFWFLSA-N 1 0 377.326 3.752 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)s1 ZINC001452138892 1060905214 /nfs/dbraw/zinc/90/52/14/1060905214.db2.gz SCSDEGPNZAPJIP-KBPBESRZSA-N 1 0 388.002 3.684 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001341823752 1060910511 /nfs/dbraw/zinc/91/05/11/1060910511.db2.gz JDKPYJUJNHVGJT-UHFFFAOYSA-N 1 0 384.528 3.616 20 30 GHEDRO C=C[C@H](O)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC(=C)C ZINC001341977492 1060979433 /nfs/dbraw/zinc/97/94/33/1060979433.db2.gz IGSZOROMEJMUNG-GIVPXCGWSA-N 1 0 395.551 3.563 20 30 GHEDRO C=CCn1c([C@H](CC)[C@@H](C)O)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001341996579 1060987507 /nfs/dbraw/zinc/98/75/07/1060987507.db2.gz AXYBTCCSLCIZFB-RTBURBONSA-N 1 0 389.588 3.573 20 30 GHEDRO C#CC1CCC(c2nnc(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)n2CC=C)CC1 ZINC001342038508 1061014600 /nfs/dbraw/zinc/01/46/00/1061014600.db2.gz QYXHSGIILJDKNN-JRGKDQQJSA-N 1 0 381.568 3.538 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342173270 1061105360 /nfs/dbraw/zinc/10/53/60/1061105360.db2.gz TVCZWINZDIPIEJ-HKUYNNGSSA-N 1 0 396.539 3.579 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(C(C)(C)CC#N)n2CC2CC2)C1 ZINC001346033976 1061308350 /nfs/dbraw/zinc/30/83/50/1061308350.db2.gz MZTUVDKDMLNTIZ-ICSRJNTNSA-N 1 0 398.599 3.970 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)c1nnc(C2CC[NH+](C)CC2)n1CC1CC1 ZINC001346083921 1061349502 /nfs/dbraw/zinc/34/95/02/1061349502.db2.gz ISUFCHPIABLHTB-MRXNPFEDSA-N 1 0 378.524 3.566 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3ocnc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001346463456 1061581676 /nfs/dbraw/zinc/58/16/76/1061581676.db2.gz ZWEZELMDFIRBRK-UHFFFAOYSA-N 1 0 380.496 3.629 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1C(C)(C)CC#N ZINC001346514520 1061638082 /nfs/dbraw/zinc/63/80/82/1061638082.db2.gz FYTSGBOEEMWOKP-UHFFFAOYSA-N 1 0 384.572 3.890 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(C(C)(C)CC#N)n3CC3CC3)C2)CC1 ZINC001346611293 1061729855 /nfs/dbraw/zinc/72/98/55/1061729855.db2.gz OPORGXGPYVKHPR-FQEVSTJZSA-N 1 0 398.599 3.828 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc1 ZINC001454403459 1061758143 /nfs/dbraw/zinc/75/81/43/1061758143.db2.gz JTPVMDABOJIWTC-XXBNENTESA-N 1 0 378.516 3.821 20 30 GHEDRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001545809304 1062012578 /nfs/dbraw/zinc/01/25/78/1062012578.db2.gz ANHVWXHMROGLSW-FQEVSTJZSA-N 1 0 397.571 3.770 20 30 GHEDRO N#Cc1ccc(C(=O)O[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)o1 ZINC001347301594 1062283586 /nfs/dbraw/zinc/28/35/86/1062283586.db2.gz SHPQAIGTCLCJTA-GOSISDBHSA-N 1 0 380.444 3.522 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2[nH]c3ccccc3c2C#N)cc1 ZINC001545890457 1062540610 /nfs/dbraw/zinc/54/06/10/1062540610.db2.gz BPHHJDXXDYKCCQ-OAQYLSRUSA-N 1 0 388.471 3.615 20 30 GHEDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001347662782 1062561058 /nfs/dbraw/zinc/56/10/58/1062561058.db2.gz ZPAMJRDJJZEYHD-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO COc1ccccc1[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)OC(C)C ZINC001348971549 1063458665 /nfs/dbraw/zinc/45/86/65/1063458665.db2.gz DOQFASBCRRQJOL-NRFANRHFSA-N 1 0 381.476 3.651 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3cc(C#N)sc3[N+](=O)[O-])CC2)cc1 ZINC001458142933 1063598119 /nfs/dbraw/zinc/59/81/19/1063598119.db2.gz LYZFSDXSNVJNKO-UHFFFAOYSA-N 1 0 386.477 3.861 20 30 GHEDRO N#Cc1cccc2[nH]cc(C(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)c21 ZINC001349797499 1063914129 /nfs/dbraw/zinc/91/41/29/1063914129.db2.gz FZWYBLHTPZDVIF-UHFFFAOYSA-N 1 0 390.409 3.575 20 30 GHEDRO CC(C)[C@@H](C#N)N1CC[NH+](CCCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001459882872 1064256592 /nfs/dbraw/zinc/25/65/92/1064256592.db2.gz OQNDBRIXZXGOIF-LJQANCHMSA-N 1 0 380.577 3.627 20 30 GHEDRO C=CCCN(CCN1CCN(C(=O)OC(C)(C)C)CC1)OCc1ccccc1 ZINC001459970908 1064310964 /nfs/dbraw/zinc/31/09/64/1064310964.db2.gz DBSZREFJQVXCBS-UHFFFAOYSA-N 1 0 389.540 3.549 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@@H](CC#N)c2ccccc2)[NH+]2CCCC2)cc1 ZINC001463568476 1064467338 /nfs/dbraw/zinc/46/73/38/1064467338.db2.gz ULLREJKJDVBRNI-VXKWHMMOSA-N 1 0 377.488 3.646 20 30 GHEDRO C=CCn1c([C@H](CO)CC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001351584425 1064522453 /nfs/dbraw/zinc/52/24/53/1064522453.db2.gz NSZOSIWTXDUHCI-IBGZPJMESA-N 1 0 391.604 3.533 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCc2cccc(C#N)c2)CC1 ZINC001351972505 1064738560 /nfs/dbraw/zinc/73/85/60/1064738560.db2.gz OIFDUUIBJYJLRP-LJQANCHMSA-N 1 0 390.531 3.968 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C ZINC001352101560 1064833648 /nfs/dbraw/zinc/83/36/48/1064833648.db2.gz GTDIDZKNBMRJPZ-HNNXBMFYSA-N 1 0 388.585 3.798 20 30 GHEDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cn1 ZINC001464771943 1065202729 /nfs/dbraw/zinc/20/27/29/1065202729.db2.gz HHLPDBREUZEADL-UHFFFAOYSA-N 1 0 386.455 3.846 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(F)cc(Br)c1N)C(C)C ZINC001464868084 1065252257 /nfs/dbraw/zinc/25/22/57/1065252257.db2.gz DFGSSPXRPBYVPO-MRXNPFEDSA-N 1 0 398.320 3.599 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](O)c1ccccc1C(F)(F)F)C(C)C ZINC001464871313 1065253252 /nfs/dbraw/zinc/25/32/52/1065253252.db2.gz OFGVKTMRMZGDPL-QZTJIDSGSA-N 1 0 384.442 3.554 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001352894560 1065426339 /nfs/dbraw/zinc/42/63/39/1065426339.db2.gz GDXKZGGZFDZLNX-FHWLQOOXSA-N 1 0 395.551 3.696 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001300295295 1065945134 /nfs/dbraw/zinc/94/51/34/1065945134.db2.gz FLLKGSFQIWRVLQ-MOPGFXCFSA-N 1 0 390.535 3.642 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000847716629 1065969928 /nfs/dbraw/zinc/96/99/28/1065969928.db2.gz BSPYHAVMMAQYMR-QGZVFWFLSA-N 1 0 391.515 3.505 20 30 GHEDRO Cc1nn(C(C)C)cc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746598 1066016362 /nfs/dbraw/zinc/01/63/62/1066016362.db2.gz OFXXZMLZQHANIL-UHFFFAOYSA-N 1 0 380.492 3.735 20 30 GHEDRO CO[C@@H](C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000847745966 1066018894 /nfs/dbraw/zinc/01/88/94/1066018894.db2.gz TZLDNILWTOZGDS-OAQYLSRUSA-N 1 0 378.472 3.723 20 30 GHEDRO C[C@@H]1C(=O)CC[C@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000847747959 1066032705 /nfs/dbraw/zinc/03/27/05/1066032705.db2.gz URCMMNLXFJYAJC-UYAOXDASSA-N 1 0 396.531 3.977 20 30 GHEDRO CC(C)Oc1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000847748804 1066039764 /nfs/dbraw/zinc/03/97/64/1066039764.db2.gz IUWDQDHGMFUDDC-UHFFFAOYSA-N 1 0 393.487 3.832 20 30 GHEDRO C#CCCCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001300353809 1066082394 /nfs/dbraw/zinc/08/23/94/1066082394.db2.gz PWQKFMXRJUJDJE-OALUTQOASA-N 1 0 395.551 3.676 20 30 GHEDRO C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001300384445 1066149565 /nfs/dbraw/zinc/14/95/65/1066149565.db2.gz PPWOIHMJLQFOKT-PZJWPPBQSA-N 1 0 379.552 3.764 20 30 GHEDRO C#C[C@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001466568232 1066195222 /nfs/dbraw/zinc/19/52/22/1066195222.db2.gz LIDUNIBBPZYGET-INIZCTEOSA-N 1 0 375.900 3.833 20 30 GHEDRO C#CCCCn1c(-c2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001300399325 1066219408 /nfs/dbraw/zinc/21/94/08/1066219408.db2.gz IHEZUAJLEYSEJP-UHFFFAOYSA-N 1 0 395.526 3.952 20 30 GHEDRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C#N)cc1N(C)C ZINC001466762312 1066300562 /nfs/dbraw/zinc/30/05/62/1066300562.db2.gz IYMIWYZEXQTKRK-FQEVSTJZSA-N 1 0 391.519 3.719 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3cccc(C#N)n3)cc2)C1 ZINC001466941128 1066403759 /nfs/dbraw/zinc/40/37/59/1066403759.db2.gz PMPROBJKSPBSRW-IRXDYDNUSA-N 1 0 377.492 3.753 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(OC)c(C#N)cc1F)c1ccccc1 ZINC001467078211 1067052213 /nfs/dbraw/zinc/05/22/13/1067052213.db2.gz VTJHDGJCHHRLTL-IBGZPJMESA-N 1 0 384.455 3.911 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2C#N)C1 ZINC001357630177 1067204511 /nfs/dbraw/zinc/20/45/11/1067204511.db2.gz GSMJRAMVTIJOSA-KSSFIOAISA-N 1 0 398.304 3.886 20 30 GHEDRO CC(C)(C)C1CCC(C#N)(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001467341497 1067238831 /nfs/dbraw/zinc/23/88/31/1067238831.db2.gz YUFOPHLBUHOYJA-UHFFFAOYSA-N 1 0 396.579 3.814 20 30 GHEDRO C#Cc1ccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c(Cl)c1 ZINC001467402564 1067277829 /nfs/dbraw/zinc/27/78/29/1067277829.db2.gz BHKVHRUIOPVJFL-UHFFFAOYSA-N 1 0 389.927 3.726 20 30 GHEDRO C=C[C@@H](CC)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC001358268559 1067459519 /nfs/dbraw/zinc/45/95/19/1067459519.db2.gz INGGHPRAWZEPNU-AWEZNQCLSA-N 1 0 380.330 3.742 20 30 GHEDRO CN1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C[C@H]1Cc1ccccc1 ZINC001467861937 1067503043 /nfs/dbraw/zinc/50/30/43/1067503043.db2.gz VSPDUCFBMGMYRP-HSZRJFAPSA-N 1 0 387.527 3.755 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001358876258 1067590446 /nfs/dbraw/zinc/59/04/46/1067590446.db2.gz GGJWEAXLUIIDMA-RBUKOAKNSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001358880470 1067592607 /nfs/dbraw/zinc/59/26/07/1067592607.db2.gz MWTHQJXHTMSBRT-GOSISDBHSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001358882752 1067594079 /nfs/dbraw/zinc/59/40/79/1067594079.db2.gz HBSBWXSIFMVXJC-KRWDZBQOSA-N 1 0 383.515 3.664 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001358884586 1067595747 /nfs/dbraw/zinc/59/57/47/1067595747.db2.gz SEUAWVLLBZAVHR-GOSISDBHSA-N 1 0 390.535 3.620 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001358884587 1067595866 /nfs/dbraw/zinc/59/58/66/1067595866.db2.gz SEUAWVLLBZAVHR-SFHVURJKSA-N 1 0 390.535 3.620 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001358887265 1067596982 /nfs/dbraw/zinc/59/69/82/1067596982.db2.gz SMRQVRXPFBAOQJ-WIYYLYMNSA-N 1 0 377.536 3.841 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001358897336 1067603210 /nfs/dbraw/zinc/60/32/10/1067603210.db2.gz XGWZXGRMOZQJCN-PMACEKPBSA-N 1 0 397.567 3.662 20 30 GHEDRO C=C1CCC(CNC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC001468124575 1067603624 /nfs/dbraw/zinc/60/36/24/1067603624.db2.gz HCEVICWFRZAVEE-UHFFFAOYSA-N 1 0 398.595 3.630 20 30 GHEDRO C#CCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001358915801 1067611811 /nfs/dbraw/zinc/61/18/11/1067611811.db2.gz PRTHITBUYGTTBI-UNMCSNQZSA-N 1 0 391.563 3.540 20 30 GHEDRO C#CCCCn1c(CC(C)C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001358930730 1067617592 /nfs/dbraw/zinc/61/75/92/1067617592.db2.gz BVWHRNDAMYKEES-NRFANRHFSA-N 1 0 393.579 3.991 20 30 GHEDRO C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[NH+]1CCCCCC1 ZINC001358939919 1067621859 /nfs/dbraw/zinc/62/18/59/1067621859.db2.gz JVKLXVOGNXLZCP-UHFFFAOYSA-N 1 0 391.563 3.694 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[NH+]1CCCC1 ZINC001358942861 1067623964 /nfs/dbraw/zinc/62/39/64/1067623964.db2.gz NCKJPBUTAPYMFD-UHFFFAOYSA-N 1 0 392.334 3.807 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](C)CC)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001359000460 1067643738 /nfs/dbraw/zinc/64/37/38/1067643738.db2.gz WHLCUSVWYKWIQP-LJQANCHMSA-N 1 0 379.552 3.895 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359011418 1067651464 /nfs/dbraw/zinc/65/14/64/1067651464.db2.gz XDYFALFYYDSUTL-NRFANRHFSA-N 1 0 393.579 3.757 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359011931 1067652272 /nfs/dbraw/zinc/65/22/72/1067652272.db2.gz RDCWJTNVJNYECB-UHFFFAOYSA-N 1 0 385.581 3.512 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@H](C)[NH+](CC)CC ZINC001359066350 1067667641 /nfs/dbraw/zinc/66/76/41/1067667641.db2.gz XYLUETPBKAKAIW-FDDCHVKYSA-N 1 0 395.551 3.676 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359111161 1067690370 /nfs/dbraw/zinc/69/03/70/1067690370.db2.gz QQLGUWGDUFAOER-LJQANCHMSA-N 1 0 397.571 3.792 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359112554 1067690944 /nfs/dbraw/zinc/69/09/44/1067690944.db2.gz MRQPNIDPZLMOQK-VQTJNVASSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359112280 1067691093 /nfs/dbraw/zinc/69/10/93/1067691093.db2.gz FMUXYSHIHBGZJM-NRFANRHFSA-N 1 0 397.567 3.707 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001359112426 1067691418 /nfs/dbraw/zinc/69/14/18/1067691418.db2.gz JAATUVBYDCQYOJ-HXUWFJFHSA-N 1 0 389.588 3.695 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359114624 1067693369 /nfs/dbraw/zinc/69/33/69/1067693369.db2.gz RHEKTCOQGLPFMQ-NRFANRHFSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359116240 1067695363 /nfs/dbraw/zinc/69/53/63/1067695363.db2.gz DEWHFLKPHQTILY-VAMGGRTRSA-N 1 0 389.588 3.900 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001468375924 1067709072 /nfs/dbraw/zinc/70/90/72/1067709072.db2.gz RWAOGAIPIQNAGU-HNNXBMFYSA-N 1 0 388.737 3.931 20 30 GHEDRO Cc1ccc(-n2nc(CCCNC(=[NH2+])Nc3cccc(C)c3)c(C#N)c2N)cc1 ZINC000849098893 1067726891 /nfs/dbraw/zinc/72/68/91/1067726891.db2.gz MJNPCIVLJNRAAU-UHFFFAOYSA-N 1 0 387.491 3.512 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359176133 1067734214 /nfs/dbraw/zinc/73/42/14/1067734214.db2.gz NDKHZWVZTDESFZ-UHFFFAOYSA-N 1 0 393.535 3.618 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001359183618 1067746396 /nfs/dbraw/zinc/74/63/96/1067746396.db2.gz PTEUVTZFZWMHBF-QRVBRYPASA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359190689 1067757009 /nfs/dbraw/zinc/75/70/09/1067757009.db2.gz ZPSCRWIXUXSHCF-RBUKOAKNSA-N 1 0 396.583 3.785 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccccc2Oc2ccc(C)cc2)CC1 ZINC001477823698 1078580196 /nfs/dbraw/zinc/58/01/96/1078580196.db2.gz DQUKBJVCKBYSCS-UHFFFAOYSA-N 1 0 377.488 3.684 20 30 GHEDRO C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359218881 1067796238 /nfs/dbraw/zinc/79/62/38/1067796238.db2.gz YBWWSSGWIMENHW-UHFFFAOYSA-N 1 0 388.585 3.567 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001359234684 1067837480 /nfs/dbraw/zinc/83/74/80/1067837480.db2.gz XACTVCCYOZXZCM-SFHVURJKSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC1CC[NH+](CC)CC1 ZINC001359236174 1067842680 /nfs/dbraw/zinc/84/26/80/1067842680.db2.gz BLWUPCHAHOWKKZ-UHFFFAOYSA-N 1 0 378.524 3.561 20 30 GHEDRO C=CCN(c1nnc(C(C)(C)C)n1CC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC001359245994 1067871591 /nfs/dbraw/zinc/87/15/91/1067871591.db2.gz MBSZGKTVKFZFEE-UHFFFAOYSA-N 1 0 393.579 3.830 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359269796 1067935247 /nfs/dbraw/zinc/93/52/47/1067935247.db2.gz PWOJIMQSOCMXFC-IBGZPJMESA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359269717 1067935411 /nfs/dbraw/zinc/93/54/11/1067935411.db2.gz MVRMFUMNLPPQGX-OALUTQOASA-N 1 0 380.540 3.639 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001469116854 1067984977 /nfs/dbraw/zinc/98/49/77/1067984977.db2.gz FYMJFMSEMYNOIC-GOSISDBHSA-N 1 0 379.504 3.678 20 30 GHEDRO C=CCn1c(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)nnc1C1(c2ccccc2)CCC1 ZINC001359290089 1067990501 /nfs/dbraw/zinc/99/05/01/1067990501.db2.gz HBMWILMEJSLDFI-RTBURBONSA-N 1 0 379.552 3.853 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359312993 1068026944 /nfs/dbraw/zinc/02/69/44/1068026944.db2.gz FHBLWTLLRGRLSK-RTBURBONSA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCSCCn1c(C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359337506 1068035692 /nfs/dbraw/zinc/03/56/92/1068035692.db2.gz UJQGVQZJKANWPI-IEBWSBKVSA-N 1 0 377.602 3.597 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C3CC3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001360138971 1068381679 /nfs/dbraw/zinc/38/16/79/1068381679.db2.gz MJQRKIBEBUAXRS-HXUWFJFHSA-N 1 0 392.551 3.784 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001478077958 1078704627 /nfs/dbraw/zinc/70/46/27/1078704627.db2.gz YTLBWIMHGNMLDZ-PKTZIBPZSA-N 1 0 393.531 3.722 20 30 GHEDRO C=CC1(CC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCCCC1 ZINC001360213558 1068412834 /nfs/dbraw/zinc/41/28/34/1068412834.db2.gz AHZOHHHOZQIGCN-NRFANRHFSA-N 1 0 397.563 3.527 20 30 GHEDRO C#CCN(C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCCc2ccccc21 ZINC001478104920 1078719583 /nfs/dbraw/zinc/71/95/83/1078719583.db2.gz ATABDJWFIRKPQY-QHCPKHFHSA-N 1 0 393.506 3.980 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC[NH+]1CCCCCC1 ZINC001360471184 1068520085 /nfs/dbraw/zinc/52/00/85/1068520085.db2.gz CRWSBGUACNTCNB-QGZVFWFLSA-N 1 0 384.503 3.699 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)[NH+](C)C ZINC001360544330 1068551588 /nfs/dbraw/zinc/55/15/88/1068551588.db2.gz HFNGBMQCNGNZAL-OAHLLOKOSA-N 1 0 386.931 3.679 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCC1(C#N)CCCCC1 ZINC001478139665 1078738415 /nfs/dbraw/zinc/73/84/15/1078738415.db2.gz VNBKQVQAAVIQNQ-RTBURBONSA-N 1 0 382.552 3.916 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC ZINC001470109200 1068576209 /nfs/dbraw/zinc/57/62/09/1068576209.db2.gz KAYOHOHWGXGRIO-MRXNPFEDSA-N 1 0 381.314 3.629 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001478235076 1078777629 /nfs/dbraw/zinc/77/76/29/1078777629.db2.gz XOFMQEGZNXNFBQ-AEFFLSMTSA-N 1 0 381.442 3.596 20 30 GHEDRO C[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460341621 1068933271 /nfs/dbraw/zinc/93/32/71/1068933271.db2.gz WGBPQYBLUMQSSU-PXNSSMCTSA-N 1 0 387.524 3.952 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001460843952 1069213442 /nfs/dbraw/zinc/21/34/42/1069213442.db2.gz CTOSUWHMMLCQOS-KRWDZBQOSA-N 1 0 385.508 3.721 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC001460861920 1069233172 /nfs/dbraw/zinc/23/31/72/1069233172.db2.gz DUJSPTREZBWYON-SJORKVTESA-N 1 0 393.487 3.616 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2CSC[C@@]2(C)C1 ZINC001460896373 1069260332 /nfs/dbraw/zinc/26/03/32/1069260332.db2.gz MCWAQMGVNKQEBE-PJSUUKDQSA-N 1 0 389.590 3.901 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)cc1 ZINC001478614751 1078934905 /nfs/dbraw/zinc/93/49/05/1078934905.db2.gz CXSWEIUQXVUKSU-UHFFFAOYSA-N 1 0 393.531 3.714 20 30 GHEDRO C=CCC1(CNC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001478629383 1078939782 /nfs/dbraw/zinc/93/97/82/1078939782.db2.gz IEZSPZUNVWIVTP-UHFFFAOYSA-N 1 0 398.595 3.582 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]3Cc3ccc(F)cc3)C2=O)cc1 ZINC001473117694 1073789155 /nfs/dbraw/zinc/78/91/55/1073789155.db2.gz YHOPDBBLIPAYEO-VXKWHMMOSA-N 1 0 377.463 3.900 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)C1=O ZINC001473325856 1073921256 /nfs/dbraw/zinc/92/12/56/1073921256.db2.gz ZFYMJGSWDXXRLV-PKTZIBPZSA-N 1 0 378.516 3.972 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC001473581027 1074028513 /nfs/dbraw/zinc/02/85/13/1074028513.db2.gz FAWHSPIFOCGOII-MRXNPFEDSA-N 1 0 378.438 3.932 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC001473582478 1074030191 /nfs/dbraw/zinc/03/01/91/1074030191.db2.gz XDMPDEULOFAJFH-OAQYLSRUSA-N 1 0 376.500 3.617 20 30 GHEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC001473651515 1074068553 /nfs/dbraw/zinc/06/85/53/1074068553.db2.gz OAZBODIRAUBVBE-KRWDZBQOSA-N 1 0 381.442 3.652 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC001473684454 1074084908 /nfs/dbraw/zinc/08/49/08/1074084908.db2.gz BFSDRMRZRNOUTK-HOTGVXAUSA-N 1 0 392.459 3.828 20 30 GHEDRO C#CCC1(O)CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC001473745899 1074120376 /nfs/dbraw/zinc/12/03/76/1074120376.db2.gz AQBQQHPWJQNRJJ-UHFFFAOYSA-N 1 0 378.472 3.658 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001473839047 1074167735 /nfs/dbraw/zinc/16/77/35/1074167735.db2.gz QJXNWLXDRZPNPH-UHFFFAOYSA-N 1 0 378.432 3.675 20 30 GHEDRO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1cc(C#N)ccc1Br ZINC001474107984 1074266330 /nfs/dbraw/zinc/26/63/30/1074266330.db2.gz AVWIBBOLMROSKM-UHFFFAOYSA-N 1 0 382.302 3.715 20 30 GHEDRO C=CC1CC[NH+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)CC1 ZINC001474311684 1074336105 /nfs/dbraw/zinc/33/61/05/1074336105.db2.gz UESGMYOJZWVJOR-UHFFFAOYSA-N 1 0 375.513 3.735 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)ccc1C#N ZINC001474589355 1074473228 /nfs/dbraw/zinc/47/32/28/1074473228.db2.gz YJXIFPTTXKTPFX-FCEWJHQRSA-N 1 0 387.524 3.938 20 30 GHEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001474691033 1074516777 /nfs/dbraw/zinc/51/67/77/1074516777.db2.gz FIRGXLZZOKXEBS-FQEVSTJZSA-N 1 0 384.520 3.564 20 30 GHEDRO CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001493910213 1079307559 /nfs/dbraw/zinc/30/75/59/1079307559.db2.gz WGLYGZOWSCZVHG-UHFFFAOYSA-N 1 0 378.524 3.539 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001475955574 1075056946 /nfs/dbraw/zinc/05/69/46/1075056946.db2.gz UEOJWILVDPFAAK-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCC1(C)C ZINC001476057159 1075076962 /nfs/dbraw/zinc/07/69/62/1075076962.db2.gz VMEZGESTSQNUAG-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO C[NH+](C)C1(C)CCC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC001476126253 1075089487 /nfs/dbraw/zinc/08/94/87/1075089487.db2.gz PXMXZCXDGNAABE-UHFFFAOYSA-N 1 0 376.504 3.866 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC(C#N)CC1 ZINC001496174019 1079460343 /nfs/dbraw/zinc/46/03/43/1079460343.db2.gz MOOWFSXEUDJAHO-IBGZPJMESA-N 1 0 394.567 3.648 20 30 GHEDRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)CC#N)[NH+](C)C ZINC001496658922 1079477221 /nfs/dbraw/zinc/47/72/21/1079477221.db2.gz DMFQKXWFYIDUMA-AEFFLSMTSA-N 1 0 376.593 3.971 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)s1 ZINC000822825488 606422130 /nfs/dbraw/zinc/42/21/30/606422130.db2.gz HMVNYFZSPLNSQB-UHFFFAOYSA-N 1 0 378.486 3.818 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1O ZINC000823937317 607846092 /nfs/dbraw/zinc/84/60/92/607846092.db2.gz RNWPPJROFFNOOS-UHFFFAOYSA-N 1 0 393.491 3.720 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1C#N ZINC000826202980 608310676 /nfs/dbraw/zinc/31/06/76/608310676.db2.gz VCBWQOHBHBYZKO-UHFFFAOYSA-N 1 0 396.454 3.704 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164415036 718880608 /nfs/dbraw/zinc/88/06/08/718880608.db2.gz ZFKUMKYGSIVEOM-LLVKDONJSA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164424878 718939993 /nfs/dbraw/zinc/93/99/93/718939993.db2.gz QWOYFCVJLMIEFQ-ZFWWWQNUSA-N 1 0 395.240 3.881 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731606 720474663 /nfs/dbraw/zinc/47/46/63/720474663.db2.gz WSBMMOLHWFCHHR-SFTDATJTSA-N 1 0 376.580 3.559 20 30 GHEDRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c(C#N)c(C)c1Cl ZINC001164857602 720928138 /nfs/dbraw/zinc/92/81/38/720928138.db2.gz LWJVCTWZKUPELN-HNNXBMFYSA-N 1 0 386.931 3.841 20 30 GHEDRO COc1nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)ncc1C#N ZINC001164759149 721043163 /nfs/dbraw/zinc/04/31/63/721043163.db2.gz HNZIUGGEEPDGKT-UHFFFAOYSA-N 1 0 391.519 3.548 20 30 GHEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)CCC1 ZINC001164910269 721532832 /nfs/dbraw/zinc/53/28/32/721532832.db2.gz UAKOIBBBCVGZIR-FPOVZHCZSA-N 1 0 392.478 3.508 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C#N)cc(Cl)n3)C[C@H]21 ZINC001165023355 721798188 /nfs/dbraw/zinc/79/81/88/721798188.db2.gz JPUBCMBUOBFJRM-QXAKKESOSA-N 1 0 381.911 3.739 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047458 721973931 /nfs/dbraw/zinc/97/39/31/721973931.db2.gz HLCUVFDHCPNBEN-GOSISDBHSA-N 1 0 383.540 3.783 20 30 GHEDRO N#Cc1cc2nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ccc2[nH]1 ZINC001164995362 722206973 /nfs/dbraw/zinc/20/69/73/722206973.db2.gz MMXRTTJRMWTIFQ-QFIPXVFZSA-N 1 0 375.451 3.819 20 30 GHEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC3)c2c1 ZINC000066436745 837409294 /nfs/dbraw/zinc/40/92/94/837409294.db2.gz CCDGDTKRDXUWBK-HJPURHCSSA-N 1 0 396.535 3.799 20 30 GHEDRO CC(C)[C@]1(CO)CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000580786864 837416797 /nfs/dbraw/zinc/41/67/97/837416797.db2.gz AVHUAVLDOMCDTC-OAQYLSRUSA-N 1 0 389.565 3.558 20 30 GHEDRO COc1ccc(CC[N@H+](Cc2cnc3c(C#N)cnn3c2)CC(C)(C)C)cc1 ZINC000581071936 837455518 /nfs/dbraw/zinc/45/55/18/837455518.db2.gz OPICANZLUAATQF-UHFFFAOYSA-N 1 0 377.492 3.700 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1cccs1 ZINC000581243714 837486896 /nfs/dbraw/zinc/48/68/96/837486896.db2.gz ZCMWUQWSJNQLLX-OXJNMPFZSA-N 1 0 397.519 3.990 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc(C#N)c1 ZINC000176715950 837510700 /nfs/dbraw/zinc/51/07/00/837510700.db2.gz KSXWTPKXMJPHAG-HSZRJFAPSA-N 1 0 391.515 3.794 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000581530648 837537685 /nfs/dbraw/zinc/53/76/85/837537685.db2.gz JODNVJOEAZVCIC-QGZVFWFLSA-N 1 0 378.524 3.708 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000570865016 837744730 /nfs/dbraw/zinc/74/47/30/837744730.db2.gz KYOCMSGMMLALEG-UHFFFAOYSA-N 1 0 377.410 3.846 20 30 GHEDRO N#Cc1ccc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000176811463 837750440 /nfs/dbraw/zinc/75/04/40/837750440.db2.gz ZJDIHYHEKNTHDG-UHFFFAOYSA-N 1 0 394.475 3.950 20 30 GHEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000176884808 837780556 /nfs/dbraw/zinc/78/05/56/837780556.db2.gz PPRNPNPOSDPERP-QGZVFWFLSA-N 1 0 394.443 3.674 20 30 GHEDRO CCOc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OC(F)F ZINC000430155900 834635099 /nfs/dbraw/zinc/63/50/99/834635099.db2.gz JMYKKXAEKGBOTG-MRXNPFEDSA-N 1 0 389.402 3.607 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091218009 834644481 /nfs/dbraw/zinc/64/44/81/834644481.db2.gz XKSJNPJRKRXGBV-IBGZPJMESA-N 1 0 376.504 3.756 20 30 GHEDRO C=CCn1c(SCC[C@H]2CCC[N@H+]2C)nnc1[C@H]1COc2ccccc2O1 ZINC000536090460 834786319 /nfs/dbraw/zinc/78/63/19/834786319.db2.gz IKVOFYLIZBPNPO-CRAIPNDOSA-N 1 0 386.521 3.553 20 30 GHEDRO C=CCC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000246159107 834814441 /nfs/dbraw/zinc/81/44/41/834814441.db2.gz GBHXUNISHUCMGB-BHDDXSALSA-N 1 0 385.552 3.761 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543981336 834863493 /nfs/dbraw/zinc/86/34/93/834863493.db2.gz PZZQAEIATKQSPB-JXFKEZNVSA-N 1 0 384.911 3.617 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)ccc1OC ZINC000057959264 834892947 /nfs/dbraw/zinc/89/29/47/834892947.db2.gz WZTMCVNLAPUSMS-UHFFFAOYSA-N 1 0 376.403 3.657 20 30 GHEDRO COc1ccccc1NC(=S)NN=C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000063358957 834906435 /nfs/dbraw/zinc/90/64/35/834906435.db2.gz DIFDKRVJRPQRRT-UHFFFAOYSA-N 1 0 393.516 3.505 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000892351704 834923289 /nfs/dbraw/zinc/92/32/89/834923289.db2.gz QDTUQIFSVBXEJE-UHFFFAOYSA-N 1 0 387.572 3.758 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000443970234 834943618 /nfs/dbraw/zinc/94/36/18/834943618.db2.gz QXFKXWJARCFGPX-UHFFFAOYSA-N 1 0 381.520 3.799 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN[C@H](C[NH+]3CCCCC3)c3ccccc3)o2)cc1 ZINC000611938081 835084561 /nfs/dbraw/zinc/08/45/61/835084561.db2.gz HTWDKXRTMWWRAI-OAQYLSRUSA-N 1 0 387.487 3.925 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000583819104 835089677 /nfs/dbraw/zinc/08/96/77/835089677.db2.gz MBKNVGBYHSAXHL-HXUWFJFHSA-N 1 0 390.531 3.608 20 30 GHEDRO CC(C)N(C)c1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433326423 844027126 /nfs/dbraw/zinc/02/71/26/844027126.db2.gz NPBUGPOBNQPXEZ-UHFFFAOYSA-N 1 0 388.519 3.993 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000512506295 844030533 /nfs/dbraw/zinc/03/05/33/844030533.db2.gz JNSVQNACQYSVSV-HXUWFJFHSA-N 1 0 397.479 3.556 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000579830196 835251964 /nfs/dbraw/zinc/25/19/64/835251964.db2.gz PJMZYOWYAXNWBS-OAHLLOKOSA-N 1 0 382.426 3.732 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000126926045 835258257 /nfs/dbraw/zinc/25/82/57/835258257.db2.gz UDGBZFPNLSQDEE-UHFFFAOYSA-N 1 0 388.418 3.755 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000578173183 835269369 /nfs/dbraw/zinc/26/93/69/835269369.db2.gz DXBLMDRWHREVMS-FQEVSTJZSA-N 1 0 386.455 3.887 20 30 GHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548851039 835285522 /nfs/dbraw/zinc/28/55/22/835285522.db2.gz QVMGIBGIXYQHEL-OAQYLSRUSA-N 1 0 395.551 3.697 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000548852479 835294520 /nfs/dbraw/zinc/29/45/20/835294520.db2.gz ZOKMCZTXBJABHO-UHFFFAOYSA-N 1 0 394.910 3.502 20 30 GHEDRO COc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000472348137 835298124 /nfs/dbraw/zinc/29/81/24/835298124.db2.gz ZDQPSCKKVJUPMZ-QGZVFWFLSA-N 1 0 377.488 3.656 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000583968974 835319010 /nfs/dbraw/zinc/31/90/10/835319010.db2.gz IJHJLGMHQJVPFF-UZLBHIALSA-N 1 0 386.455 3.779 20 30 GHEDRO CN1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136205622 835331529 /nfs/dbraw/zinc/33/15/29/835331529.db2.gz SSUFAZDOZVNBIM-KKSFZXQISA-N 1 0 397.885 3.781 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000151293800 835360302 /nfs/dbraw/zinc/36/03/02/835360302.db2.gz LXHKQDKNVUZFBT-COPCDDAFSA-N 1 0 376.504 3.994 20 30 GHEDRO N#CCC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccccc1 ZINC000151315168 835372768 /nfs/dbraw/zinc/37/27/68/835372768.db2.gz NGYUFMRTWNUOPU-IBGZPJMESA-N 1 0 386.565 3.692 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)CC1 ZINC000329613182 835397314 /nfs/dbraw/zinc/39/73/14/835397314.db2.gz DUSOLRGJJRZURO-UHFFFAOYSA-N 1 0 396.535 3.550 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248170645 835433905 /nfs/dbraw/zinc/43/39/05/835433905.db2.gz JFSKESWRYYTLAZ-OALUTQOASA-N 1 0 383.536 3.829 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329651998 835531538 /nfs/dbraw/zinc/53/15/38/835531538.db2.gz KYLPGDLCEDPDNJ-SFHVURJKSA-N 1 0 387.549 3.586 20 30 GHEDRO CCC[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+]1CCOC ZINC000458796354 835585530 /nfs/dbraw/zinc/58/55/30/835585530.db2.gz DPVMCLXECDJWKT-SFTDATJTSA-N 1 0 386.540 3.564 20 30 GHEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000179633441 835707077 /nfs/dbraw/zinc/70/70/77/835707077.db2.gz BJFWPZBPUBHCMX-HXUWFJFHSA-N 1 0 388.471 3.736 20 30 GHEDRO CCN(CC)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccco1 ZINC000278660749 835733308 /nfs/dbraw/zinc/73/33/08/835733308.db2.gz NERBIMHKABCOHB-HXUWFJFHSA-N 1 0 392.507 3.624 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000179590656 835887691 /nfs/dbraw/zinc/88/76/91/835887691.db2.gz IUDLOUUZEVNKGB-UHFFFAOYSA-N 1 0 388.515 3.899 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c(O)c1 ZINC000255848054 835956666 /nfs/dbraw/zinc/95/66/66/835956666.db2.gz WQGABOUKIWVBEQ-BKFIETJDSA-N 1 0 393.531 3.891 20 30 GHEDRO Cc1cc(C)nc(-n2cc(C(=O)NC3CC[NH+](CC4CC4)CC3)c(C(C)C)n2)n1 ZINC000329790646 835980375 /nfs/dbraw/zinc/98/03/75/835980375.db2.gz CYGCFCIXHAEERO-UHFFFAOYSA-N 1 0 396.539 3.582 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549691191 844125247 /nfs/dbraw/zinc/12/52/47/844125247.db2.gz YHCUXRCSNBCZPC-HXUWFJFHSA-N 1 0 395.551 3.518 20 30 GHEDRO C=CC[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1 ZINC000275080384 836154319 /nfs/dbraw/zinc/15/43/19/836154319.db2.gz XXXKLWBGCQMYTL-NRFANRHFSA-N 1 0 378.520 3.910 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000613426144 836355455 /nfs/dbraw/zinc/35/54/55/836355455.db2.gz AEYVIFWOOWOBTN-CQSZACIVSA-N 1 0 382.537 3.795 20 30 GHEDRO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187256809 836359099 /nfs/dbraw/zinc/35/90/99/836359099.db2.gz ROPASZJRNLAACU-JPYJTQIMSA-N 1 0 379.504 3.915 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@H]2C ZINC001209422852 836501627 /nfs/dbraw/zinc/50/16/27/836501627.db2.gz JKNIABJJVASQSV-FQEVSTJZSA-N 1 0 385.552 3.718 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000180193827 836636916 /nfs/dbraw/zinc/63/69/16/836636916.db2.gz ABZITBRJKJALKS-GMAHTHKFSA-N 1 0 377.488 3.669 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(F)(F)F)c1F ZINC000175614084 836799532 /nfs/dbraw/zinc/79/95/32/836799532.db2.gz IUYBKEADIGRUFQ-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000510219918 836807645 /nfs/dbraw/zinc/80/76/45/836807645.db2.gz AVQPOGNIWYPZTP-IBGZPJMESA-N 1 0 381.476 3.691 20 30 GHEDRO COc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)c(OC)c1 ZINC000027328935 837043520 /nfs/dbraw/zinc/04/35/20/837043520.db2.gz HDAYMFUVBINKBL-UHFFFAOYSA-O 1 0 399.536 3.852 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2cc(Br)ccc2F)C2CC2)CCC1 ZINC001167255415 837047652 /nfs/dbraw/zinc/04/76/52/837047652.db2.gz HFTDYIDWWHZOGT-MRXNPFEDSA-N 1 0 381.289 3.997 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000247191361 837155436 /nfs/dbraw/zinc/15/54/36/837155436.db2.gz LDDVSUUSMGRQLR-FXAWDEMLSA-N 1 0 386.540 3.746 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000376177934 837182506 /nfs/dbraw/zinc/18/25/06/837182506.db2.gz MNZAIRKVLQDLMU-UHFFFAOYSA-N 1 0 391.471 3.843 20 30 GHEDRO COc1c[nH+]ccc1N1CCN(c2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000548986768 837229240 /nfs/dbraw/zinc/22/92/40/837229240.db2.gz RFPHIFJNQMGXOO-UHFFFAOYSA-N 1 0 393.878 3.799 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(-c2cnn(C)c2)c1 ZINC000580083466 837259281 /nfs/dbraw/zinc/25/92/81/837259281.db2.gz UVGFCJAGGRONEM-UHFFFAOYSA-N 1 0 389.478 3.729 20 30 GHEDRO N#CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000029939026 837273469 /nfs/dbraw/zinc/27/34/69/837273469.db2.gz RCLPICVXWVCAPP-ZBWUASRJSA-N 1 0 379.460 3.539 20 30 GHEDRO CN(CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1F ZINC000180098156 837318106 /nfs/dbraw/zinc/31/81/06/837318106.db2.gz IPZQOVIYEHRUKX-UHFFFAOYSA-N 1 0 377.467 3.714 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000610272123 837330640 /nfs/dbraw/zinc/33/06/40/837330640.db2.gz ACCPURIBEGYKEN-AKIFATBCSA-N 1 0 389.499 3.616 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181208627 837853749 /nfs/dbraw/zinc/85/37/49/837853749.db2.gz HIWKUMFQKUJSMG-HNAYVOBHSA-N 1 0 383.879 3.908 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(Br)c1 ZINC000181184196 837867433 /nfs/dbraw/zinc/86/74/33/837867433.db2.gz OXXGVQFTFBTOJE-HNNXBMFYSA-N 1 0 386.297 3.627 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)c1C#N ZINC000472616952 837905021 /nfs/dbraw/zinc/90/50/21/837905021.db2.gz PBAMSGWGFYBLHK-MRXNPFEDSA-N 1 0 394.519 3.530 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000121513394 838014779 /nfs/dbraw/zinc/01/47/79/838014779.db2.gz CSHFEBPAJONKKV-HSZRJFAPSA-N 1 0 393.487 3.691 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000046265802 838080830 /nfs/dbraw/zinc/08/08/30/838080830.db2.gz ZLMYMJKFANHVJC-QFIPXVFZSA-N 1 0 378.520 3.653 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000610298745 838233120 /nfs/dbraw/zinc/23/31/20/838233120.db2.gz YNMPMFPEVJSOTL-QFIPXVFZSA-N 1 0 391.515 3.840 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000610298738 838233146 /nfs/dbraw/zinc/23/31/46/838233146.db2.gz YNMPMFPEVJSOTL-JOCHJYFZSA-N 1 0 391.515 3.840 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1C#N ZINC000177916475 838239775 /nfs/dbraw/zinc/23/97/75/838239775.db2.gz FWBMWGAUNREIDS-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000177927950 838249748 /nfs/dbraw/zinc/24/97/48/838249748.db2.gz FJPDEAMGIVDVKL-UHFFFAOYSA-N 1 0 380.467 3.870 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000415927202 838284258 /nfs/dbraw/zinc/28/42/58/838284258.db2.gz CJQDBAYKERHRCD-UHFFFAOYSA-N 1 0 397.910 3.675 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267387 838327752 /nfs/dbraw/zinc/32/77/52/838327752.db2.gz JDCLQWUVIFNIPB-SJLPKXTDSA-N 1 0 378.520 3.959 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)CC1 ZINC000378049250 838341372 /nfs/dbraw/zinc/34/13/72/838341372.db2.gz FWWHSCPEAJBJOM-GOSISDBHSA-N 1 0 387.528 3.614 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000187899155 838382059 /nfs/dbraw/zinc/38/20/59/838382059.db2.gz FUZWILXHFRBCGK-SFHVURJKSA-N 1 0 385.552 3.571 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)NCC(C)(C)CCC#N)CC2)cc1 ZINC000376591547 838385700 /nfs/dbraw/zinc/38/57/00/838385700.db2.gz DMMPPZKJYORRGC-UHFFFAOYSA-N 1 0 386.540 3.536 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000560550777 838392050 /nfs/dbraw/zinc/39/20/50/838392050.db2.gz QDWBWBDOUVXLDW-APWZRJJASA-N 1 0 381.442 3.600 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000187321732 838450012 /nfs/dbraw/zinc/45/00/12/838450012.db2.gz JHTHEDTXOZDTDW-YLJYHZDGSA-N 1 0 379.529 3.851 20 30 GHEDRO COc1c[nH+]ccc1N1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000481042916 838457740 /nfs/dbraw/zinc/45/77/40/838457740.db2.gz WLDNVCYLBKODHL-UHFFFAOYSA-N 1 0 397.841 3.629 20 30 GHEDRO COc1cccc(-c2n[nH]cc2C[NH2+]CCSCc2ccccc2C#N)c1 ZINC000048684476 838472152 /nfs/dbraw/zinc/47/21/52/838472152.db2.gz FUTSZKIVSLPGHE-UHFFFAOYSA-N 1 0 378.501 3.980 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000610335296 838527573 /nfs/dbraw/zinc/52/75/73/838527573.db2.gz SEJNFZZYWFAXFH-HTAPYJJXSA-N 1 0 392.503 3.764 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000103493175 838568318 /nfs/dbraw/zinc/56/83/18/838568318.db2.gz IVTDUAYCSLZFSP-QGZVFWFLSA-N 1 0 382.508 3.729 20 30 GHEDRO C[C@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000472639761 838569386 /nfs/dbraw/zinc/56/93/86/838569386.db2.gz DKIIHBFDEWVDCE-OAHLLOKOSA-N 1 0 389.565 3.843 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000376735275 838663895 /nfs/dbraw/zinc/66/38/95/838663895.db2.gz FNEOMXKZGVHGIJ-UHFFFAOYSA-N 1 0 393.878 3.885 20 30 GHEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000128459416 838717880 /nfs/dbraw/zinc/71/78/80/838717880.db2.gz WKHDKTFPMHBVJU-KRWDZBQOSA-N 1 0 394.443 3.674 20 30 GHEDRO C[N@H+](CCC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000548064164 838913635 /nfs/dbraw/zinc/91/36/35/838913635.db2.gz LHWPMGINTOWLDL-QGZVFWFLSA-N 1 0 383.414 3.921 20 30 GHEDRO CCC(CC)C(=O)N1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181536189 839042521 /nfs/dbraw/zinc/04/25/21/839042521.db2.gz TYVGMDFVTJDJSN-UHFFFAOYSA-N 1 0 396.579 3.539 20 30 GHEDRO CC(C)Oc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c(C(F)(F)F)c1 ZINC000549170341 839145644 /nfs/dbraw/zinc/14/56/44/839145644.db2.gz LUSQJJRWCISUIW-UHFFFAOYSA-N 1 0 389.381 3.697 20 30 GHEDRO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@H+](CCOCCC#N)C3)cc1 ZINC000549825538 844404620 /nfs/dbraw/zinc/40/46/20/844404620.db2.gz WKMKYTREWBHGMO-UHFFFAOYSA-N 1 0 378.476 3.927 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000549174267 839166662 /nfs/dbraw/zinc/16/66/62/839166662.db2.gz ULXSFZWSEJNADC-DNVCBOLYSA-N 1 0 388.427 3.773 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000415081313 839176269 /nfs/dbraw/zinc/17/62/69/839176269.db2.gz KHPQYPOTQGFBLY-UHFFFAOYSA-N 1 0 382.464 3.998 20 30 GHEDRO N#CCCn1cc(CN2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2ccccc2)n1 ZINC000377254616 839181306 /nfs/dbraw/zinc/18/13/06/839181306.db2.gz VZALRKPPHWSPJI-QHCPKHFHSA-N 1 0 397.482 3.909 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000415086937 839186734 /nfs/dbraw/zinc/18/67/34/839186734.db2.gz SGQPEZIKXAAFDV-HXUWFJFHSA-N 1 0 394.475 3.869 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000458165535 844411368 /nfs/dbraw/zinc/41/13/68/844411368.db2.gz LAMWWFVKVCBRJW-LJQANCHMSA-N 1 0 377.488 3.599 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275840868 839297602 /nfs/dbraw/zinc/29/76/02/839297602.db2.gz PTCCUQNHFLDKMF-UHFFFAOYSA-N 1 0 375.472 3.864 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)c1 ZINC000415156881 839298679 /nfs/dbraw/zinc/29/86/79/839298679.db2.gz HANPNMFZNPWAFH-DQLDELGASA-N 1 0 376.460 3.942 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1F ZINC000173836820 839392405 /nfs/dbraw/zinc/39/24/05/839392405.db2.gz FLWLESOKMFHZOB-HZPDHXFCSA-N 1 0 399.466 3.829 20 30 GHEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001167387464 839424786 /nfs/dbraw/zinc/42/47/86/839424786.db2.gz STRLVCLQYMACEF-AZUAARDMSA-N 1 0 386.536 3.742 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511567703 839440307 /nfs/dbraw/zinc/44/03/07/839440307.db2.gz QOXGSVIUMYTZCL-ROUUACIJSA-N 1 0 383.414 3.680 20 30 GHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H]1C[NH3+] ZINC000415239444 839456256 /nfs/dbraw/zinc/45/62/56/839456256.db2.gz OLOLDDMSOVSVHU-GOEBONIOSA-N 1 0 382.439 3.938 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000415562047 839979852 /nfs/dbraw/zinc/97/98/52/839979852.db2.gz NWYKYROLSCMLFH-OAHLLOKOSA-N 1 0 391.475 3.933 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000119267389 839996229 /nfs/dbraw/zinc/99/62/29/839996229.db2.gz UDYVVWSCAQJVNH-GGAORHGYSA-N 1 0 389.499 3.694 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cn2)CCO1 ZINC000580749613 840128671 /nfs/dbraw/zinc/12/86/71/840128671.db2.gz KEXNFAFBYKPRLP-VGSWGCGISA-N 1 0 376.504 3.736 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(NS(C)(=O)=O)cc1 ZINC000177822037 840228677 /nfs/dbraw/zinc/22/86/77/840228677.db2.gz ZDNAHUJXYVCHJU-OAHLLOKOSA-N 1 0 389.546 3.514 20 30 GHEDRO [NH3+]CCC[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000416950721 840307003 /nfs/dbraw/zinc/30/70/03/840307003.db2.gz SCJOHACSDVOPFJ-IBGZPJMESA-N 1 0 389.421 3.836 20 30 GHEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001167439422 840469620 /nfs/dbraw/zinc/46/96/20/840469620.db2.gz WOCGVHAKVWKQDI-SZVBFZGTSA-N 1 0 378.438 3.826 20 30 GHEDRO COc1ccccc1CC1(c2nc(-c3ccc(C#N)c(C)c3)no2)CC[NH2+]CC1 ZINC001211506914 840554352 /nfs/dbraw/zinc/55/43/52/840554352.db2.gz AQIKBPJNHVZEHK-UHFFFAOYSA-N 1 0 388.471 3.789 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000509764259 844558200 /nfs/dbraw/zinc/55/82/00/844558200.db2.gz XNABVWLOKSCLLC-AVRDEDQJSA-N 1 0 376.504 3.658 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000584715963 840653854 /nfs/dbraw/zinc/65/38/54/840653854.db2.gz HQMGMUDXHTXIBG-AWEZNQCLSA-N 1 0 396.434 3.572 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000511797993 840801673 /nfs/dbraw/zinc/80/16/73/840801673.db2.gz XVIVJXKEPLLKSO-GHTZIAJQSA-N 1 0 391.515 3.523 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561320673 840860477 /nfs/dbraw/zinc/86/04/77/840860477.db2.gz NQITWHRATRYBMV-HNNXBMFYSA-N 1 0 396.416 3.880 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000512566117 844593324 /nfs/dbraw/zinc/59/33/24/844593324.db2.gz VCRCPOOMKZMPPH-MSOLQXFVSA-N 1 0 383.511 3.842 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000511859540 841010970 /nfs/dbraw/zinc/01/09/70/841010970.db2.gz MKSURCFZFDKECD-JENIJYKNSA-N 1 0 379.426 3.740 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000584842206 841049558 /nfs/dbraw/zinc/04/95/58/841049558.db2.gz PDLNVJVOQSQNLE-CYBMUJFWSA-N 1 0 397.841 3.826 20 30 GHEDRO COc1cccc2c1CCN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000543872877 841062186 /nfs/dbraw/zinc/06/21/86/841062186.db2.gz YXCOISIUMHCUEY-UHFFFAOYSA-N 1 0 377.488 3.617 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000584846832 841063396 /nfs/dbraw/zinc/06/33/96/841063396.db2.gz XSAMMNHNNAPGKU-LEWJYISDSA-N 1 0 382.467 3.559 20 30 GHEDRO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CNc2ccnn2C1 ZINC000684195674 841072943 /nfs/dbraw/zinc/07/29/43/841072943.db2.gz KPWOCLFOXNMAKL-CYBMUJFWSA-N 1 0 379.277 3.515 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(N(C)C)cc1 ZINC000027059560 841204609 /nfs/dbraw/zinc/20/46/09/841204609.db2.gz LWUQSCRNEVCYCP-UHFFFAOYSA-O 1 0 380.493 3.501 20 30 GHEDRO N#Cc1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000120278302 841256956 /nfs/dbraw/zinc/25/69/56/841256956.db2.gz ISWMVCUPYPWZSN-KRWDZBQOSA-N 1 0 375.394 3.756 20 30 GHEDRO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)s1 ZINC000600188835 861192864 /nfs/dbraw/zinc/19/28/64/861192864.db2.gz GZAJNROGTSODHE-UHFFFAOYSA-N 1 0 381.501 3.864 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(CCc3ccc(F)cc3F)CC2)CCOCC1 ZINC000599453838 861207736 /nfs/dbraw/zinc/20/77/36/861207736.db2.gz CGPOFDJXELQXCN-FQEVSTJZSA-N 1 0 392.490 3.681 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000161750237 861209863 /nfs/dbraw/zinc/20/98/63/861209863.db2.gz WNDNMTIISCJWTG-SFHVURJKSA-N 1 0 386.503 3.518 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000045346693 841658000 /nfs/dbraw/zinc/65/80/00/841658000.db2.gz HQQXAXTYEXUBIL-QFIPXVFZSA-N 1 0 376.504 3.783 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)no1 ZINC000329275313 861232671 /nfs/dbraw/zinc/23/26/71/861232671.db2.gz ISOAHUPHRDJZLI-KRWDZBQOSA-N 1 0 375.517 3.618 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610513497 841756789 /nfs/dbraw/zinc/75/67/89/841756789.db2.gz VXDRTUKMTDGZKW-KRWDZBQOSA-N 1 0 379.464 3.551 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](O)c2ccccc2Cl)c(-c2ccccc2)n1 ZINC000123808892 841858728 /nfs/dbraw/zinc/85/87/28/841858728.db2.gz BQHXRBJNFFKLMW-FQEVSTJZSA-N 1 0 380.879 3.940 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000489808963 861250795 /nfs/dbraw/zinc/25/07/95/861250795.db2.gz NGJLKVINQZBUQO-HNNXBMFYSA-N 1 0 378.398 3.569 20 30 GHEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]CC(=O)Nc1sccc1C#N ZINC000482138286 842032369 /nfs/dbraw/zinc/03/23/69/842032369.db2.gz RZPSQIHKSINJSL-IBGZPJMESA-N 1 0 396.560 3.621 20 30 GHEDRO Cc1cc(-c2noc(CC3(c4ccccc4F)CC[NH2+]CC3)n2)ccc1C#N ZINC001211517927 842090347 /nfs/dbraw/zinc/09/03/47/842090347.db2.gz LYBNRJJSCORCTH-UHFFFAOYSA-N 1 0 376.435 3.920 20 30 GHEDRO C=C1[NH+]=C(SC[C@@H](C#N)CCC#N)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000051187251 842098299 /nfs/dbraw/zinc/09/82/99/842098299.db2.gz SBWLHJRKTDABBT-QAPCUYQASA-N 1 0 382.489 3.701 20 30 GHEDRO C[C@@H](CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C[NH+]1CCCC1 ZINC000538069719 842178771 /nfs/dbraw/zinc/17/87/71/842178771.db2.gz UZHDQUFANMGISZ-SFHVURJKSA-N 1 0 376.504 3.756 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000569691368 842220397 /nfs/dbraw/zinc/22/03/97/842220397.db2.gz HAAHOZGLUSMMJA-LJQANCHMSA-N 1 0 376.504 3.720 20 30 GHEDRO C[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1 ZINC000585745387 842236577 /nfs/dbraw/zinc/23/65/77/842236577.db2.gz NUCLOFLLZHRIIW-QGZVFWFLSA-N 1 0 392.503 3.592 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC(C[NH+]3CCCCCC3)CC2)c(C#N)c1C ZINC000610542620 842296296 /nfs/dbraw/zinc/29/62/96/842296296.db2.gz NLHSPHFUOUXEMO-UHFFFAOYSA-N 1 0 388.581 3.763 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)CC2)nc1 ZINC000585794132 842318839 /nfs/dbraw/zinc/31/88/39/842318839.db2.gz HACPLSOYUWRUKJ-QHCPKHFHSA-N 1 0 387.462 3.835 20 30 GHEDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000512047391 842320437 /nfs/dbraw/zinc/32/04/37/842320437.db2.gz ZRTPIVBPLZIHHO-HSZRJFAPSA-N 1 0 391.515 3.970 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)NCc3cccc(C#N)c3)c(C)c2c1 ZINC000541653585 842320600 /nfs/dbraw/zinc/32/06/00/842320600.db2.gz SIVCKTXSLOGQTE-HNNXBMFYSA-N 1 0 377.444 3.589 20 30 GHEDRO CC[C@@](C)(NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000933517215 842321322 /nfs/dbraw/zinc/32/13/22/842321322.db2.gz RUZZNQLRSMVNGE-GOSISDBHSA-N 1 0 382.430 3.553 20 30 GHEDRO O=C(c1ccc(Cl)s1)C(C(=S)NCC(F)(F)F)[n+]1ccccc1 ZINC000101535129 842331606 /nfs/dbraw/zinc/33/16/06/842331606.db2.gz CCXADVSMTBWTHM-UHFFFAOYSA-O 1 0 379.836 3.780 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000247398219 842443111 /nfs/dbraw/zinc/44/31/11/842443111.db2.gz MLBMDPPJRUGGAV-AVRDEDQJSA-N 1 0 391.515 3.940 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCC(F)CC1 ZINC000662002774 842474849 /nfs/dbraw/zinc/47/48/49/842474849.db2.gz YJRNPUXCXKGEOP-NXVRBGIVSA-N 1 0 384.417 3.680 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000107195855 842496871 /nfs/dbraw/zinc/49/68/71/842496871.db2.gz WSEDFFBVWKFSJT-UHFFFAOYSA-N 1 0 383.517 3.761 20 30 GHEDRO O[C@@H]([C@H]1CCN(Cc2cccc(F)c2OCC(F)(F)F)C1)C(F)(F)F ZINC000628301452 842572195 /nfs/dbraw/zinc/57/21/95/842572195.db2.gz ULSOFSZYAZWQBP-GWCFXTLKSA-N 1 0 375.284 3.512 20 30 GHEDRO Cc1sc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1C(C)C ZINC000279103945 842588400 /nfs/dbraw/zinc/58/84/00/842588400.db2.gz XUJBXMPJPVPEHS-UHFFFAOYSA-N 1 0 384.549 3.580 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1)C(C)C ZINC000663669562 842617798 /nfs/dbraw/zinc/61/77/98/842617798.db2.gz YTNXAKXTKDIPMU-NJYVYQBISA-N 1 0 377.573 3.676 20 30 GHEDRO C=CCN1CC(=O)N(C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000761350958 861332560 /nfs/dbraw/zinc/33/25/60/861332560.db2.gz CCGCNSUDQATDAG-YJBOKZPZSA-N 1 0 395.425 3.539 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 ZINC000599598878 861346489 /nfs/dbraw/zinc/34/64/89/861346489.db2.gz BGLWTWZMRFSLCU-JBLFJGJOSA-N 1 0 387.524 3.674 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000328891806 842830901 /nfs/dbraw/zinc/83/09/01/842830901.db2.gz SRIVVEYIKDZMMZ-UXHICEINSA-N 1 0 381.524 3.558 20 30 GHEDRO N#CC1(c2ccc(C(=O)N3CCN(c4cc[nH+]c5ccccc54)CC3)cc2)CC1 ZINC000581965103 842839322 /nfs/dbraw/zinc/83/93/22/842839322.db2.gz SUQZURUATQDZBB-UHFFFAOYSA-N 1 0 382.467 3.752 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCC#Cc2cccc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000512189865 842844421 /nfs/dbraw/zinc/84/44/21/842844421.db2.gz PZPIHVPUFROYCR-SIKLNZKXSA-N 1 0 393.506 3.777 20 30 GHEDRO C=CCC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccccc1 ZINC000188283350 842873266 /nfs/dbraw/zinc/87/32/66/842873266.db2.gz CIDBEVBAVWLNFH-JOCHJYFZSA-N 1 0 383.580 3.803 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)CSCc1ccc(C#N)cc1)[NH+](C)C ZINC000510525092 842898418 /nfs/dbraw/zinc/89/84/18/842898418.db2.gz PCOKVSUYFLGVQO-JTSKRJEESA-N 1 0 381.545 3.908 20 30 GHEDRO N#CC(CC[N@@H+]1CCO[C@]2(CCCOC2)C1)(c1ccccc1)c1ccccc1 ZINC000510632152 843094834 /nfs/dbraw/zinc/09/48/34/843094834.db2.gz HBRLZJUMGLANRV-HSZRJFAPSA-N 1 0 376.500 3.768 20 30 GHEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2Oc2ccccc2C#N)CCCO1 ZINC000432570059 843170166 /nfs/dbraw/zinc/17/01/66/843170166.db2.gz TVQFOHSTAKHCJE-GOSISDBHSA-N 1 0 393.487 3.581 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000162138750 843207557 /nfs/dbraw/zinc/20/75/57/843207557.db2.gz PGXORHUXSREXOK-UHFFFAOYSA-N 1 0 393.535 3.957 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)N3CCOC4(CCCC4)C3)CC[N@@H+]2C2CC2)c1 ZINC000329418157 861393761 /nfs/dbraw/zinc/39/37/61/861393761.db2.gz GGXQTUBLGGHVPA-LEWJYISDSA-N 1 0 399.535 3.532 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N(CCC#N)c3ccc(C)cc3)cc2)CC1 ZINC000073108216 861401703 /nfs/dbraw/zinc/40/17/03/861401703.db2.gz SCNIHLTWEOQSRY-UHFFFAOYSA-N 1 0 376.504 3.697 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)CCC[NH2+]1 ZINC000662477387 843310299 /nfs/dbraw/zinc/31/02/99/843310299.db2.gz ZTFWWBILDTVFFK-VFNWGFHPSA-N 1 0 389.927 3.991 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(CC(=O)N(CC)c3ccccc3)cc2)CCC[NH2+]1 ZINC000662479679 843316626 /nfs/dbraw/zinc/31/66/26/843316626.db2.gz CMKKEWZMKHISNC-XMMPIXPASA-N 1 0 391.515 3.919 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000610635262 843331250 /nfs/dbraw/zinc/33/12/50/843331250.db2.gz QXGMCXLFLWVIMJ-UHFFFAOYSA-N 1 0 386.499 3.901 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccc(F)c3OC)C2)CC1 ZINC001143525423 843390265 /nfs/dbraw/zinc/39/02/65/843390265.db2.gz UBZAWCQRFDRLKE-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000891864816 843445949 /nfs/dbraw/zinc/44/59/49/843445949.db2.gz TVFHPVZPAACWNP-UHFFFAOYSA-N 1 0 379.508 3.803 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)CC2)cc1 ZINC000159286063 843463701 /nfs/dbraw/zinc/46/37/01/843463701.db2.gz DAEGWYHJPPWRAZ-UXHICEINSA-N 1 0 395.453 3.674 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000599631274 861420204 /nfs/dbraw/zinc/42/02/04/861420204.db2.gz OLNKPJIWAYUTQK-UHFFFAOYSA-N 1 0 381.432 3.531 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261636664 843495227 /nfs/dbraw/zinc/49/52/27/843495227.db2.gz CYGBFNXBIXZCOZ-CWVYHPPDSA-N 1 0 375.479 3.724 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)CC2)c1 ZINC000418674925 843526064 /nfs/dbraw/zinc/52/60/64/843526064.db2.gz PCTQOEZVGYGGDD-JOCHJYFZSA-N 1 0 392.503 3.591 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)NCCSCc2ccccc2C#N)CC1 ZINC000043836388 843535180 /nfs/dbraw/zinc/53/51/80/843535180.db2.gz QTPJMXRSCCKKNB-UHFFFAOYSA-N 1 0 388.581 3.603 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000261976648 843537078 /nfs/dbraw/zinc/53/70/78/843537078.db2.gz NUQQPXCSSDIWIE-QZNHQXDQSA-N 1 0 385.552 3.541 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610697500 843562411 /nfs/dbraw/zinc/56/24/11/843562411.db2.gz SBONDNVWLNKVDZ-SFHVURJKSA-N 1 0 393.491 3.845 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418720586 843573757 /nfs/dbraw/zinc/57/37/57/843573757.db2.gz GJVDLQASGKLJMG-XLIONFOSSA-N 1 0 387.524 3.978 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1C ZINC000178392086 843593396 /nfs/dbraw/zinc/59/33/96/843593396.db2.gz WTCFYJMZVFFLRM-QHCPKHFHSA-N 1 0 391.515 3.532 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000329442430 861437292 /nfs/dbraw/zinc/43/72/92/861437292.db2.gz NFTOGQCBSVTQHB-IAGOWNOFSA-N 1 0 385.508 3.681 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000073121308 861448575 /nfs/dbraw/zinc/44/85/75/861448575.db2.gz XQXOBWHWEMFIEU-UHFFFAOYSA-N 1 0 376.504 3.915 20 30 GHEDRO CCOCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCc2ccccc21 ZINC000599625912 861452876 /nfs/dbraw/zinc/45/28/76/861452876.db2.gz QWZFIOLERXTRCS-LJQANCHMSA-N 1 0 383.517 3.974 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)cc2)ccn1 ZINC000572584588 843836271 /nfs/dbraw/zinc/83/62/71/843836271.db2.gz RZRKVDRJMYUKBW-FQEVSTJZSA-N 1 0 379.464 3.775 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1nccs1 ZINC000924877252 843868436 /nfs/dbraw/zinc/86/84/36/843868436.db2.gz QHWUNKLRYXHAQK-OAHLLOKOSA-N 1 0 378.542 3.595 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000500736290 843909043 /nfs/dbraw/zinc/90/90/43/843909043.db2.gz DACRJFYNNOSKKW-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(F)c(Cl)c1 ZINC000433241358 843913478 /nfs/dbraw/zinc/91/34/78/843913478.db2.gz BFKBFCYVTWLVKS-UHFFFAOYSA-N 1 0 397.841 3.607 20 30 GHEDRO C#CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000731111825 861471450 /nfs/dbraw/zinc/47/14/50/861471450.db2.gz JYPTUMJTIHSYEP-UHFFFAOYSA-N 1 0 377.488 3.732 20 30 GHEDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)C[C@H]2C1 ZINC000614125225 844649310 /nfs/dbraw/zinc/64/93/10/844649310.db2.gz ULXZIROJBOAYRW-TXEJJXNPSA-N 1 0 398.322 3.610 20 30 GHEDRO Cn1cc(C[NH2+]CCOc2ccc3cc(Br)ccc3c2)cc1C#N ZINC000575408040 844662029 /nfs/dbraw/zinc/66/20/29/844662029.db2.gz WUJIPIULLWHJDR-UHFFFAOYSA-N 1 0 384.277 3.981 20 30 GHEDRO Cc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)ccc1C[NH+](C)C ZINC000458278537 844783629 /nfs/dbraw/zinc/78/36/29/844783629.db2.gz JIYDOQSZSKRMRY-UHFFFAOYSA-N 1 0 378.476 3.676 20 30 GHEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000614169798 844832706 /nfs/dbraw/zinc/83/27/06/844832706.db2.gz VSNDWAAZGMKCPJ-UHFFFAOYSA-N 1 0 393.506 3.904 20 30 GHEDRO C[N@H+](CCOc1ccc(Br)cc1)Cc1ccc(OCC#N)cc1 ZINC000731210375 861505671 /nfs/dbraw/zinc/50/56/71/861505671.db2.gz IXCOLEZTRBMKBV-UHFFFAOYSA-N 1 0 375.266 3.862 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cccs1 ZINC000411128513 844987978 /nfs/dbraw/zinc/98/79/78/844987978.db2.gz ALZWEVBHLRRLIL-UHFFFAOYSA-N 1 0 375.450 3.682 20 30 GHEDRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000181455867 845012136 /nfs/dbraw/zinc/01/21/36/845012136.db2.gz XBGBEBUXIHBIFF-UHFFFAOYSA-N 1 0 392.475 3.704 20 30 GHEDRO COC[C@H](C)[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc21 ZINC000599683733 861525024 /nfs/dbraw/zinc/52/50/24/861525024.db2.gz UUTMYVCPQFLALU-VNZMSGEBSA-N 1 0 394.515 3.517 20 30 GHEDRO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329503702 861554453 /nfs/dbraw/zinc/55/44/53/861554453.db2.gz ZDKQYIMAOFRDRV-KGSLCBSSSA-N 1 0 385.552 3.581 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000110016438 845326149 /nfs/dbraw/zinc/32/61/49/845326149.db2.gz PFXVLDHFGJXIRK-QGZVFWFLSA-N 1 0 397.494 3.633 20 30 GHEDRO CCCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccc(C)cc1 ZINC000433121934 845366318 /nfs/dbraw/zinc/36/63/18/845366318.db2.gz TWFOETZJVHIHCC-UHFFFAOYSA-N 1 0 396.539 3.833 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235809 845370176 /nfs/dbraw/zinc/37/01/76/845370176.db2.gz IBLSMHMPCZGKOO-IEBWSBKVSA-N 1 0 387.487 3.647 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 ZINC000513419671 845390178 /nfs/dbraw/zinc/39/01/78/845390178.db2.gz YGDVUJNTRXNLCV-UHFFFAOYSA-N 1 0 393.487 3.860 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)CC1 ZINC000664015870 845392024 /nfs/dbraw/zinc/39/20/24/845392024.db2.gz LDGDZJDSGUNDMS-INIZCTEOSA-N 1 0 391.943 3.893 20 30 GHEDRO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1Cc2ccccc2C1 ZINC000513424480 845414507 /nfs/dbraw/zinc/41/45/07/845414507.db2.gz HFVLKKVVSOUERD-UHFFFAOYSA-N 1 0 379.529 3.926 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCc2cc(C#N)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000509785950 845418184 /nfs/dbraw/zinc/41/81/84/845418184.db2.gz BOGAKLJSBQIHPX-XLIONFOSSA-N 1 0 394.494 3.797 20 30 GHEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H](C)c1ccc2ccccc2c1 ZINC000262824623 845531383 /nfs/dbraw/zinc/53/13/83/845531383.db2.gz XYQDRWSWSVMBHE-FUHWJXTLSA-N 1 0 390.535 3.618 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCCC[C@@H]3O)sc2C1 ZINC000481514631 861580640 /nfs/dbraw/zinc/58/06/40/861580640.db2.gz JDATVXLMNGFMGW-RKVPGOIHSA-N 1 0 389.565 3.556 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(O)cc(C#N)c2)cc1 ZINC000614295596 845561132 /nfs/dbraw/zinc/56/11/32/845561132.db2.gz TURLJHAHTAPMRL-UHFFFAOYSA-N 1 0 385.467 3.922 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cl)c(C#N)c3)cc2)C[C@H](C)O1 ZINC000538685346 845569394 /nfs/dbraw/zinc/56/93/94/845569394.db2.gz WIXAQNAPJKGHNR-IYBDPMFKSA-N 1 0 397.906 3.751 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000131701612 861595922 /nfs/dbraw/zinc/59/59/22/861595922.db2.gz SRVWQSDCENZFBO-UHFFFAOYSA-N 1 0 391.397 3.568 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000604038389 861616575 /nfs/dbraw/zinc/61/65/75/861616575.db2.gz KVVSQRLQNWCPIB-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO C=C(C)[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000187755111 846050972 /nfs/dbraw/zinc/05/09/72/846050972.db2.gz LYRYIOMQGYZTEA-IBGZPJMESA-N 1 0 381.444 3.654 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cc1F ZINC000421385242 846201656 /nfs/dbraw/zinc/20/16/56/846201656.db2.gz QGMGVDFUYVWSQU-AWEZNQCLSA-N 1 0 395.247 3.540 20 30 GHEDRO C=CCC[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1 ZINC000513690922 846333412 /nfs/dbraw/zinc/33/34/12/846333412.db2.gz OEQPWEMUWBTSBG-FQEVSTJZSA-N 1 0 388.533 3.977 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551805525 846528181 /nfs/dbraw/zinc/52/81/81/846528181.db2.gz ACFSHIHFTQQNJM-KRWDZBQOSA-N 1 0 397.544 3.929 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179659156 861689892 /nfs/dbraw/zinc/68/98/92/861689892.db2.gz XSHWHODVMOQUGR-MRXNPFEDSA-N 1 0 382.891 3.700 20 30 GHEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000421842654 846633422 /nfs/dbraw/zinc/63/34/22/846633422.db2.gz OHRZRLOHNCCLQP-VBKZILBWSA-N 1 0 385.870 3.672 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000419619789 846688889 /nfs/dbraw/zinc/68/88/89/846688889.db2.gz QBGGHQWFDPEEIT-RTWAWAEBSA-N 1 0 380.467 3.677 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419622404 846690544 /nfs/dbraw/zinc/69/05/44/846690544.db2.gz SUJKXEMCDCATOE-NRFANRHFSA-N 1 0 380.492 3.692 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000508446185 861714150 /nfs/dbraw/zinc/71/41/50/861714150.db2.gz MILCTMULWVQPSP-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)cc1 ZINC000069016288 846850412 /nfs/dbraw/zinc/85/04/12/846850412.db2.gz DPRRAZSNLRYEJM-LJQANCHMSA-N 1 0 392.503 3.779 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[NH+](C)C)cc1 ZINC000582323198 846863220 /nfs/dbraw/zinc/86/32/20/846863220.db2.gz QXLIYFUZJZDCOT-CTNGQTDRSA-N 1 0 381.545 3.900 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)nn1CCC#N ZINC000272076737 846985221 /nfs/dbraw/zinc/98/52/21/846985221.db2.gz LAFDGCPDVVZBMZ-UHFFFAOYSA-N 1 0 394.523 3.803 20 30 GHEDRO CC1(C#N)CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000272689309 847146408 /nfs/dbraw/zinc/14/64/08/847146408.db2.gz VJSBNXJCJFVTJP-KRWDZBQOSA-N 1 0 394.441 3.615 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187758380 847289429 /nfs/dbraw/zinc/28/94/29/847289429.db2.gz SAHZWOTYCLITCN-AUUYWEPGSA-N 1 0 378.375 3.520 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2cncc(C#N)n2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000420593383 847330936 /nfs/dbraw/zinc/33/09/36/847330936.db2.gz BRJKKQOVUUPWIB-RDTXWAMCSA-N 1 0 375.398 3.862 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)s2)[NH+](C)C)cc1 ZINC000422205084 847457464 /nfs/dbraw/zinc/45/74/64/847457464.db2.gz OKKIVSIGIWNRLK-LJQANCHMSA-N 1 0 386.521 3.509 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(C#N)s2)C[N@@H+]1Cc1ccccc1 ZINC000420883280 847503266 /nfs/dbraw/zinc/50/32/66/847503266.db2.gz HXCGIAUGARGLRV-AEFFLSMTSA-N 1 0 382.533 3.720 20 30 GHEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513785566 847559229 /nfs/dbraw/zinc/55/92/29/847559229.db2.gz OVRUOWGKMMNAKM-IBGZPJMESA-N 1 0 376.909 3.972 20 30 GHEDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000503291408 847567307 /nfs/dbraw/zinc/56/73/07/847567307.db2.gz LZTDBVAHMKWECA-HXUWFJFHSA-N 1 0 388.471 3.566 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)C(C)C ZINC000503385371 847644248 /nfs/dbraw/zinc/64/42/48/847644248.db2.gz KAGTZNNHZLPIQJ-LJQANCHMSA-N 1 0 382.512 3.600 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000503446849 847713262 /nfs/dbraw/zinc/71/32/62/847713262.db2.gz JGPATSLJDQZADA-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465579540 861823748 /nfs/dbraw/zinc/82/37/48/861823748.db2.gz XFIAJSGSZBSOAR-IBGZPJMESA-N 1 0 393.453 3.621 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2cccc(CC#N)c2)[NH+]2CCCCC2)cc1 ZINC000042280632 861825497 /nfs/dbraw/zinc/82/54/97/861825497.db2.gz GPCFCFWLUWUSMT-JOCHJYFZSA-N 1 0 377.488 3.718 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)C2(CO)CC2)cc1OCC ZINC000657601627 848305023 /nfs/dbraw/zinc/30/50/23/848305023.db2.gz BILFUHYYTAHWOM-CYBMUJFWSA-N 1 0 384.314 3.663 20 30 GHEDRO COc1cc2cccnc2c(N(c2cnc(F)c(C#N)c2)[C@H](C)CCC[NH3+])c1 ZINC001167615751 848371523 /nfs/dbraw/zinc/37/15/23/848371523.db2.gz ONSGLDCGHGQNFY-CQSZACIVSA-N 1 0 379.439 3.915 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000176749232 848529204 /nfs/dbraw/zinc/52/92/04/848529204.db2.gz ZLOLKDXRAMPPFB-AWEZNQCLSA-N 1 0 387.867 3.758 20 30 GHEDRO C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)[C@H]1C ZINC001167629928 848572007 /nfs/dbraw/zinc/57/20/07/848572007.db2.gz NPKDEVYLBATMEQ-IRXDYDNUSA-N 1 0 376.504 3.897 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192463538 861962398 /nfs/dbraw/zinc/96/23/98/861962398.db2.gz GTZTUOXHLJSLFG-UHFFFAOYSA-N 1 0 378.314 3.710 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000725774089 849016457 /nfs/dbraw/zinc/01/64/57/849016457.db2.gz FVVZXXMLVQLZRO-UHFFFAOYSA-N 1 0 390.524 3.820 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc2c1OCC[C@H]2OC)C(C)C ZINC000448050311 849583318 /nfs/dbraw/zinc/58/33/18/849583318.db2.gz TZWTYPOAEWBZQE-VQTJNVASSA-N 1 0 387.524 3.977 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1CCCO1 ZINC000543497457 862039210 /nfs/dbraw/zinc/03/92/10/862039210.db2.gz SDWKKTYSIJFKLY-PMACEKPBSA-N 1 0 398.482 3.591 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000583339032 849656632 /nfs/dbraw/zinc/65/66/32/849656632.db2.gz QNMWVPRLNUBNAC-RTBURBONSA-N 1 0 392.341 3.934 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161670616 849672263 /nfs/dbraw/zinc/67/22/63/849672263.db2.gz DKTITATZYKBBCM-HNNXBMFYSA-N 1 0 389.503 3.503 20 30 GHEDRO C=CCc1cc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc(OC)c1OC ZINC000423125658 849750948 /nfs/dbraw/zinc/75/09/48/849750948.db2.gz NSWSKLCLYQZZIY-OAQYLSRUSA-N 1 0 382.504 3.775 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1OC ZINC000503942451 849786761 /nfs/dbraw/zinc/78/67/61/849786761.db2.gz DDXCZPILMJDCHK-HIFRSBDPSA-N 1 0 384.314 3.927 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505581214 849957707 /nfs/dbraw/zinc/95/77/07/849957707.db2.gz LNKKVURFQIKHIM-IBGZPJMESA-N 1 0 382.426 3.828 20 30 GHEDRO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000556511188 862076426 /nfs/dbraw/zinc/07/64/26/862076426.db2.gz DNQWJCCPCAKLBA-HQMUEHRGSA-N 1 0 378.472 3.619 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000514547120 849990084 /nfs/dbraw/zinc/99/00/84/849990084.db2.gz DTQCAHITVIRNFQ-KRWDZBQOSA-N 1 0 398.334 3.747 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C(F)(F)F)nc2n1CCCC2)C(C)C ZINC000668682503 850082983 /nfs/dbraw/zinc/08/29/83/850082983.db2.gz IJSHSWJKWGDIOH-OAHLLOKOSA-N 1 0 398.473 3.667 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000604362150 862094735 /nfs/dbraw/zinc/09/47/35/862094735.db2.gz NBEUDGKCLBEJPA-SJORKVTESA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000424090660 850212845 /nfs/dbraw/zinc/21/28/45/850212845.db2.gz MOBBOTVJFSRFRZ-KXBFYZLASA-N 1 0 379.464 3.529 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000908695113 850274679 /nfs/dbraw/zinc/27/46/79/850274679.db2.gz LZBZNJWPBYIWKW-FYZZASKESA-N 1 0 393.535 3.587 20 30 GHEDRO CCC(CC)(CCO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000514782506 850301568 /nfs/dbraw/zinc/30/15/68/850301568.db2.gz SHTXIQORGHPFNT-UHFFFAOYSA-N 1 0 377.554 3.748 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCO[C@H]2CCCc3ccccc32)CC1 ZINC000506694071 850468328 /nfs/dbraw/zinc/46/83/28/850468328.db2.gz AZODIXFFTWSUEJ-QFIPXVFZSA-N 1 0 385.552 3.810 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000505007014 850517706 /nfs/dbraw/zinc/51/77/06/850517706.db2.gz YQJWSWPDRTXYHM-JTHBVZDNSA-N 1 0 393.531 3.810 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(c3cccc(Br)c3C#N)CC2)C[C@@H](C)O1 ZINC000439950910 850619145 /nfs/dbraw/zinc/61/91/45/850619145.db2.gz CJECKKHWDSWKLK-HUUCEWRRSA-N 1 0 392.341 3.646 20 30 GHEDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659318256 850624394 /nfs/dbraw/zinc/62/43/94/850624394.db2.gz CEOUEFUUKJZVGX-LLVKDONJSA-N 1 0 386.311 3.846 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000435727557 850790699 /nfs/dbraw/zinc/79/06/99/850790699.db2.gz ZBCCILZYTRZNCD-BONVTDFDSA-N 1 0 393.215 3.640 20 30 GHEDRO CC[C@@](C)(C#N)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000505291913 850793517 /nfs/dbraw/zinc/79/35/17/850793517.db2.gz ZXYOTNGSQXAQHJ-DEOSSOPVSA-N 1 0 390.531 3.883 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000132586882 862173951 /nfs/dbraw/zinc/17/39/51/862173951.db2.gz PZMFAKZTBKEJRH-UHFFFAOYSA-N 1 0 389.459 3.809 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C)c(C#N)c1 ZINC000600511613 862187904 /nfs/dbraw/zinc/18/79/04/862187904.db2.gz OCSAMRWOXLCHIH-UHFFFAOYSA-N 1 0 381.549 3.965 20 30 GHEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000515415037 850992774 /nfs/dbraw/zinc/99/27/74/850992774.db2.gz NNRWFIVWHJOFPT-GOSISDBHSA-N 1 0 376.909 3.596 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000425438842 851099852 /nfs/dbraw/zinc/09/98/52/851099852.db2.gz DRPFZYUMYJHOFE-DENIHFKCSA-N 1 0 390.531 3.825 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000910340600 851135695 /nfs/dbraw/zinc/13/56/95/851135695.db2.gz ZIPGKRYFLYOQDL-UHFFFAOYSA-N 1 0 390.535 3.681 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000505751281 851155368 /nfs/dbraw/zinc/15/53/68/851155368.db2.gz QIMZXIDDXMYUCD-SFHVURJKSA-N 1 0 389.569 3.916 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000509613477 851218071 /nfs/dbraw/zinc/21/80/71/851218071.db2.gz MEQGFELDBWGUPE-XLIONFOSSA-N 1 0 380.492 3.978 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000120795173 851256224 /nfs/dbraw/zinc/25/62/24/851256224.db2.gz CWQJPHFSBYBQRT-FGZHOGPDSA-N 1 0 397.567 3.668 20 30 GHEDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000604485072 862227041 /nfs/dbraw/zinc/22/70/41/862227041.db2.gz PMDFKWJPTIGVPQ-KRWDZBQOSA-N 1 0 380.492 3.793 20 30 GHEDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](C)C1 ZINC000515703799 851358962 /nfs/dbraw/zinc/35/89/62/851358962.db2.gz AVXWYYCLGOWTNP-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO CCc1cccc2c(C3CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC3)c[nH]c21 ZINC000515743722 851407453 /nfs/dbraw/zinc/40/74/53/851407453.db2.gz ZUJJERWCLOVGCC-QHCPKHFHSA-N 1 0 380.536 3.964 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000488325065 851410938 /nfs/dbraw/zinc/41/09/38/851410938.db2.gz OTXJLOFWNDEYER-ICSRJNTNSA-N 1 0 390.531 3.655 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000434688491 851479816 /nfs/dbraw/zinc/47/98/16/851479816.db2.gz MUROLTZPMJINOU-UHFFFAOYSA-N 1 0 380.467 3.547 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CN(C)CC#Cc2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000434734087 851553925 /nfs/dbraw/zinc/55/39/25/851553925.db2.gz DOFNTCWNBKEQLV-SIKLNZKXSA-N 1 0 384.955 3.830 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc2)CC1 ZINC000505808902 851562909 /nfs/dbraw/zinc/56/29/09/851562909.db2.gz JWDZFHUMLFXCNV-OAQYLSRUSA-N 1 0 396.922 3.865 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC(=O)NCCc3ccccc3)c2)c1 ZINC000111400634 851649039 /nfs/dbraw/zinc/64/90/39/851649039.db2.gz GNQKGLNETWPKKC-UHFFFAOYSA-N 1 0 399.494 3.586 20 30 GHEDRO CC(C)(C)OC1CC(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000488599580 851653885 /nfs/dbraw/zinc/65/38/85/851653885.db2.gz UWBGATZZLBTTQI-UHFFFAOYSA-N 1 0 383.536 3.576 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C[C@H]1C(F)(F)F ZINC000894543358 851672149 /nfs/dbraw/zinc/67/21/49/851672149.db2.gz YZSZBGNHEZDLOA-ARFHVFGLSA-N 1 0 384.398 3.567 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000519557579 851715499 /nfs/dbraw/zinc/71/54/99/851715499.db2.gz OCKKMVCFPSJALB-GCJKJVERSA-N 1 0 397.544 3.545 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000163124325 862292055 /nfs/dbraw/zinc/29/20/55/862292055.db2.gz CZYZVOAIKWPFKD-HXUWFJFHSA-N 1 0 382.552 3.581 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911875771 851938926 /nfs/dbraw/zinc/93/89/26/851938926.db2.gz SUCQAPOOFCSDHO-UHFFFAOYSA-N 1 0 377.286 3.952 20 30 GHEDRO CC[C@@H]1C[C@H](C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC(=O)N1 ZINC000329761495 862301748 /nfs/dbraw/zinc/30/17/48/862301748.db2.gz RMTINZQWPKPSAX-HLLBOEOZSA-N 1 0 390.503 3.740 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H](c2ccccc2F)C1 ZINC000550212320 851962701 /nfs/dbraw/zinc/96/27/01/851962701.db2.gz YTGUPNDPFQDVMQ-ROUUACIJSA-N 1 0 395.478 3.959 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473783484 851971634 /nfs/dbraw/zinc/97/16/34/851971634.db2.gz DAXWHYMBXDVHMY-IAGOWNOFSA-N 1 0 392.503 3.845 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)cc1 ZINC000489277783 852181115 /nfs/dbraw/zinc/18/11/15/852181115.db2.gz OROIBHIIBNUHEH-JOCHJYFZSA-N 1 0 388.515 3.992 20 30 GHEDRO C[C@@H](CSc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000517651649 852206544 /nfs/dbraw/zinc/20/65/44/852206544.db2.gz QNKLOAYTVDWMSK-SFHVURJKSA-N 1 0 381.545 3.877 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000489313938 852213896 /nfs/dbraw/zinc/21/38/96/852213896.db2.gz NXAHQNKCLBLFJG-KGVIQGDOSA-N 1 0 376.504 3.829 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000473588855 852271928 /nfs/dbraw/zinc/27/19/28/852271928.db2.gz DEGYWQBFXRHDMF-MJGOQNOKSA-N 1 0 384.442 3.625 20 30 GHEDRO COc1ccc(CCNC(NCc2ccc([C@H](C)O)cc2)=[NH+]C(C)(C)C)cc1 ZINC000912509378 852313368 /nfs/dbraw/zinc/31/33/68/852313368.db2.gz FDNRECHTOBRKFP-KRWDZBQOSA-N 1 0 383.536 3.825 20 30 GHEDRO CC(C)c1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028960358 852328894 /nfs/dbraw/zinc/32/88/94/852328894.db2.gz FNPDOEIDRJIZBZ-UHFFFAOYSA-N 1 0 390.531 3.828 20 30 GHEDRO C=CCN(C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H](C)COC ZINC000664693724 852371069 /nfs/dbraw/zinc/37/10/69/852371069.db2.gz GEIBJNULIRLWCH-YOEHRIQHSA-N 1 0 387.446 3.541 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000150776599 852383333 /nfs/dbraw/zinc/38/33/33/852383333.db2.gz JUGRJGFKBYKEHO-WAEYIKQSSA-N 1 0 384.520 3.750 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000438453776 852418224 /nfs/dbraw/zinc/41/82/24/852418224.db2.gz HNTVPOCRITXCPC-SFTDATJTSA-N 1 0 379.589 3.757 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)cc1 ZINC000429176944 862358405 /nfs/dbraw/zinc/35/84/05/862358405.db2.gz ZCYHXGZYMFLJSU-PXNSSMCTSA-N 1 0 388.920 3.818 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505901838 852493993 /nfs/dbraw/zinc/49/39/93/852493993.db2.gz WYDWTNDSOTWPBW-VQTJNVASSA-N 1 0 377.488 3.723 20 30 GHEDRO Cc1nn(C(C)(C)C)c(C)c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506272839 852534971 /nfs/dbraw/zinc/53/49/71/852534971.db2.gz NELQWWHEMAGUCB-UHFFFAOYSA-N 1 0 379.552 3.835 20 30 GHEDRO COc1ccccc1OC[C@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000516437354 852572771 /nfs/dbraw/zinc/57/27/71/852572771.db2.gz BTHWTUIJPYZDJX-GOSISDBHSA-N 1 0 379.504 3.840 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(OC)c1O ZINC000506311938 852670843 /nfs/dbraw/zinc/67/08/43/852670843.db2.gz YVIVUFIMJKYCAK-LJQANCHMSA-N 1 0 380.488 3.980 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1OCCc2sccc21 ZINC000429179175 862381495 /nfs/dbraw/zinc/38/14/95/862381495.db2.gz GQVVQLBUANKJOQ-BBATYDOGSA-N 1 0 375.881 3.504 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+]C(C)(C)c2ccc(Br)cc2)c(C#N)c1C ZINC000438668341 852690545 /nfs/dbraw/zinc/69/05/45/852690545.db2.gz FMGFXBDHYOOBLA-UHFFFAOYSA-N 1 0 390.281 3.994 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000426161782 852891203 /nfs/dbraw/zinc/89/12/03/852891203.db2.gz NRYCZXQLGJBNJN-UHFFFAOYSA-N 1 0 386.883 3.864 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429603826 852902889 /nfs/dbraw/zinc/90/28/89/852902889.db2.gz HNMUZGFKBHOPPU-OTWHNJEPSA-N 1 0 393.535 3.560 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427272780 852924359 /nfs/dbraw/zinc/92/43/59/852924359.db2.gz KBUDZRJKKWIQIM-UHFFFAOYSA-N 1 0 391.519 3.555 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000507451727 852926147 /nfs/dbraw/zinc/92/61/47/852926147.db2.gz UUADZWRGQUDUMH-SJLPKXTDSA-N 1 0 376.520 3.683 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000506024982 852986751 /nfs/dbraw/zinc/98/67/51/852986751.db2.gz ANHZHAGARLQDCI-OAQYLSRUSA-N 1 0 379.479 3.710 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)Cc2c(F)cccc2C#N)c2ccccc2)CC1 ZINC000507510718 852989747 /nfs/dbraw/zinc/98/97/47/852989747.db2.gz PFRKKTDINDCRRK-JOCHJYFZSA-N 1 0 379.479 3.829 20 30 GHEDRO O=C(N1CCC2(C[NH+](C3CCCC3)C2)CC1)C(F)(F)C(F)(F)C(F)(F)F ZINC001270765842 853034461 /nfs/dbraw/zinc/03/44/61/853034461.db2.gz XQQSILZYJJEVHO-UHFFFAOYSA-N 1 0 390.343 3.686 20 30 GHEDRO Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@](C)(c3ccccc3)C2)n1C ZINC000261967911 853181902 /nfs/dbraw/zinc/18/19/02/853181902.db2.gz LXYZDXVATDATOO-QHCPKHFHSA-N 1 0 394.567 3.565 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000437550424 853248858 /nfs/dbraw/zinc/24/88/58/853248858.db2.gz XQUVWGLSSQVLBL-UVUJQTEASA-N 1 0 385.552 3.568 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000894861420 853249531 /nfs/dbraw/zinc/24/95/31/853249531.db2.gz TZOOSCSJMAQSLK-IBGZPJMESA-N 1 0 391.515 3.805 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)([NH+](C)C)C1 ZINC000329954478 862453008 /nfs/dbraw/zinc/45/30/08/862453008.db2.gz OLBNUWJOCBCYTI-CEQIKUNHSA-N 1 0 389.544 3.551 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000517091731 853374320 /nfs/dbraw/zinc/37/43/20/853374320.db2.gz RHXDALFTMACQOJ-SFHVURJKSA-N 1 0 392.459 3.717 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CC1(Cl)Cl ZINC000732739004 862458696 /nfs/dbraw/zinc/45/86/96/862458696.db2.gz NOEZKIJDNCYOMN-ZDUSSCGKSA-N 1 0 375.369 3.778 20 30 GHEDRO Cc1cc(C[N@@H+](CCCSCC#N)CC(C)C)nc(N2CCCCC2)n1 ZINC000491016797 853398333 /nfs/dbraw/zinc/39/83/33/853398333.db2.gz BGFCGLUQGKSMFV-UHFFFAOYSA-N 1 0 375.586 3.880 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000517145272 853438037 /nfs/dbraw/zinc/43/80/37/853438037.db2.gz ZAXNLPZONNPLFF-MRXNPFEDSA-N 1 0 390.487 3.608 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(Nc4cc(C#N)ncn4)cc3)CC2)c1 ZINC000570905107 853501384 /nfs/dbraw/zinc/50/13/84/853501384.db2.gz ITEWKHULWNDGST-UHFFFAOYSA-N 1 0 384.487 3.723 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000586776188 853517537 /nfs/dbraw/zinc/51/75/37/853517537.db2.gz KROQQMXHZWULMZ-LEDOBFOHSA-N 1 0 394.515 3.974 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C2 ZINC000519827098 853518240 /nfs/dbraw/zinc/51/82/40/853518240.db2.gz RVPMQIUIFAQRRX-KKXDTOCCSA-N 1 0 389.425 3.741 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC[N@@H+]1C ZINC000329985116 862479124 /nfs/dbraw/zinc/47/91/24/862479124.db2.gz QWSLCTARJJANLT-SWLSCSKDSA-N 1 0 387.459 3.713 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437839551 853601825 /nfs/dbraw/zinc/60/18/25/853601825.db2.gz HOVJRXSZXPHFLI-HXUWFJFHSA-N 1 0 399.535 3.639 20 30 GHEDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1(C)C ZINC000439516798 853721189 /nfs/dbraw/zinc/72/11/89/853721189.db2.gz QRTNUTLZAZSYFV-CSMYWGQOSA-N 1 0 375.538 3.619 20 30 GHEDRO O=C(N[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1)c1cc2ccccc2o1 ZINC000440934135 853765300 /nfs/dbraw/zinc/76/53/00/853765300.db2.gz IPWXKLZJABDHNP-FQEVSTJZSA-N 1 0 376.431 3.818 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000571429341 853877458 /nfs/dbraw/zinc/87/74/58/853877458.db2.gz AGPJUVKWUMILMD-SFHVURJKSA-N 1 0 382.533 3.721 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000481913213 862509670 /nfs/dbraw/zinc/50/96/70/862509670.db2.gz MFCPDNCXDYZUTC-FQEVSTJZSA-N 1 0 394.519 3.560 20 30 GHEDRO COc1cccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2cccc(C)c2)c1 ZINC000186954596 862511311 /nfs/dbraw/zinc/51/13/11/862511311.db2.gz DIPDFJAJKRMZNA-UHFFFAOYSA-O 1 0 396.492 3.947 20 30 GHEDRO Cc1ccc([C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)N2CCOCC2)o1 ZINC000481915033 862511985 /nfs/dbraw/zinc/51/19/85/862511985.db2.gz VIEUIPIMZUCZFF-VXKWHMMOSA-N 1 0 379.504 3.890 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000481914860 862512343 /nfs/dbraw/zinc/51/23/43/862512343.db2.gz UTMBQPNDWJYCOL-RPWUZVMVSA-N 1 0 375.516 3.989 20 30 GHEDRO CC(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000520267264 854018094 /nfs/dbraw/zinc/01/80/94/854018094.db2.gz AYHCAENEKYZALJ-HXUWFJFHSA-N 1 0 379.464 3.543 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000163692020 862525079 /nfs/dbraw/zinc/52/50/79/862525079.db2.gz GSUAAJRXYMPKCH-GOSISDBHSA-N 1 0 395.503 3.828 20 30 GHEDRO N#Cc1cc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(N)c1[N+](=O)[O-] ZINC000588015872 854077916 /nfs/dbraw/zinc/07/79/16/854077916.db2.gz DCXCJFHNIZYVDN-LDQXTDLNSA-N 1 0 391.475 3.761 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000520362387 854137324 /nfs/dbraw/zinc/13/73/24/854137324.db2.gz ZHZXFQVWOITWBJ-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520412989 854184229 /nfs/dbraw/zinc/18/42/29/854184229.db2.gz IIWQWDVQDCQRCV-MJGOQNOKSA-N 1 0 388.830 3.794 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)nn1 ZINC000894964493 854281766 /nfs/dbraw/zinc/28/17/66/854281766.db2.gz SEEASVUOPUFEHC-SFHVURJKSA-N 1 0 379.464 3.862 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056041956 854303246 /nfs/dbraw/zinc/30/32/46/854303246.db2.gz MPVJNIDUCBGJKM-GOSISDBHSA-N 1 0 377.488 3.993 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000588652693 854327705 /nfs/dbraw/zinc/32/77/05/854327705.db2.gz PCNMVZGFGKMFPP-PWRODBHTSA-N 1 0 382.552 3.916 20 30 GHEDRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1Cl ZINC000572028875 854337093 /nfs/dbraw/zinc/33/70/93/854337093.db2.gz JKEMRLBBSBQYTA-KRWDZBQOSA-N 1 0 390.886 3.852 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000458890885 854468422 /nfs/dbraw/zinc/46/84/22/854468422.db2.gz KJZHHXZFTLKZLB-HXUWFJFHSA-N 1 0 394.544 3.871 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c2ncccc12 ZINC000328675650 854499612 /nfs/dbraw/zinc/49/96/12/854499612.db2.gz KURIOPPLJPMNOM-MOPGFXCFSA-N 1 0 387.911 3.961 20 30 GHEDRO CC(C)[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1nnc2ccccn21 ZINC000328714303 854519282 /nfs/dbraw/zinc/51/92/82/854519282.db2.gz CIXKQMNVHBTUAP-HXUWFJFHSA-N 1 0 398.555 3.585 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)cn21 ZINC000328742614 854524147 /nfs/dbraw/zinc/52/41/47/854524147.db2.gz NAELEOFDPARAKK-SFHVURJKSA-N 1 0 398.555 3.986 20 30 GHEDRO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000458897528 854552879 /nfs/dbraw/zinc/55/28/79/854552879.db2.gz VOBOKBWZNCLODK-YADHBBJMSA-N 1 0 397.563 3.665 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328796912 854560900 /nfs/dbraw/zinc/56/09/00/854560900.db2.gz VFMLQQVTMHWJHV-WMZOPIPTSA-N 1 0 385.508 3.538 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000328797162 854560999 /nfs/dbraw/zinc/56/09/99/854560999.db2.gz VNRVWDPUOFSAIA-QGZVFWFLSA-N 1 0 388.508 3.685 20 30 GHEDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc(Br)c1OC ZINC000330466205 854673090 /nfs/dbraw/zinc/67/30/90/854673090.db2.gz HEBZYTSDOQVJDL-QWHCGFSZSA-N 1 0 399.329 3.891 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CSc2ccccc21 ZINC000458917948 854692769 /nfs/dbraw/zinc/69/27/69/854692769.db2.gz OSFMVRVIWSROMR-IBGZPJMESA-N 1 0 394.544 3.521 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(O)cc(C#N)c3)ccc21 ZINC000589175107 854717318 /nfs/dbraw/zinc/71/73/18/854717318.db2.gz LAROSNKXRQOCCJ-UHFFFAOYSA-N 1 0 376.460 3.813 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)[C@@H](C)C1 ZINC000330915438 854785451 /nfs/dbraw/zinc/78/54/51/854785451.db2.gz UGLQABLYKJGTAL-QFBILLFUSA-N 1 0 388.556 3.731 20 30 GHEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000589291186 854786894 /nfs/dbraw/zinc/78/68/94/854786894.db2.gz ULNFWKIQXWDLDE-FYYLOGMGSA-N 1 0 379.504 3.623 20 30 GHEDRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(C#N)cc1 ZINC000589325202 854791278 /nfs/dbraw/zinc/79/12/78/854791278.db2.gz VEGAOPIZPZAPBR-TZYHBYERSA-N 1 0 388.515 3.783 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C#N)n1)c1ccc(C(F)(F)F)cc1 ZINC000589335184 854796325 /nfs/dbraw/zinc/79/63/25/854796325.db2.gz RJDTVUWOLAHODS-GOSISDBHSA-N 1 0 390.409 3.785 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)CC2 ZINC000589338076 854797274 /nfs/dbraw/zinc/79/72/74/854797274.db2.gz SIHFNDGLDPHQQE-QFBILLFUSA-N 1 0 376.378 3.594 20 30 GHEDRO Cc1csc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1Cl ZINC000331075474 854798538 /nfs/dbraw/zinc/79/85/38/854798538.db2.gz HLEOVGKTYBNITF-UHFFFAOYSA-N 1 0 385.961 3.641 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000553435644 855019396 /nfs/dbraw/zinc/01/93/96/855019396.db2.gz KWXCCCFNGAELDT-AVRDEDQJSA-N 1 0 389.499 3.836 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC(C)C)C1CCCC1 ZINC000669334412 855033971 /nfs/dbraw/zinc/03/39/71/855033971.db2.gz FKKYFMBRABTEID-UXHICEINSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)c2ccccc21 ZINC000669335566 855044578 /nfs/dbraw/zinc/04/45/78/855044578.db2.gz NPTFWFCYIKYABX-HLIPFELVSA-N 1 0 379.508 3.645 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H](C)c1ccccc1 ZINC000669336756 855062502 /nfs/dbraw/zinc/06/25/02/855062502.db2.gz SLABOJGJSLHHIC-RLLQIKCJSA-N 1 0 381.524 3.587 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1C ZINC000589743955 855120504 /nfs/dbraw/zinc/12/05/04/855120504.db2.gz SGLSNUKVDATHAS-WWNPGLIZSA-N 1 0 397.563 3.956 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000589738866 855129550 /nfs/dbraw/zinc/12/95/50/855129550.db2.gz BPJMWVTYYCKVMS-UHFFFAOYSA-N 1 0 383.492 3.904 20 30 GHEDRO N#Cc1cccc(COc2cccc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2)c1 ZINC000054426001 855152176 /nfs/dbraw/zinc/15/21/76/855152176.db2.gz IUWAOFBACBLROM-OAQYLSRUSA-N 1 0 394.438 3.984 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000542673259 855186266 /nfs/dbraw/zinc/18/62/66/855186266.db2.gz DITJLZKPBYCLIX-HZPDHXFCSA-N 1 0 396.466 3.833 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Oc3cc(C)ccc3C)CC2)CC1 ZINC000106274912 855204921 /nfs/dbraw/zinc/20/49/21/855204921.db2.gz CBPMUHXTIDZSJJ-UHFFFAOYSA-N 1 0 385.552 3.897 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c(Cl)c1 ZINC000589995982 855219059 /nfs/dbraw/zinc/21/90/59/855219059.db2.gz KFMALKJDTAGRNY-OAHLLOKOSA-N 1 0 390.270 3.684 20 30 GHEDRO C[C@@H]([NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C(=O)NC1(C#N)CCC1 ZINC000590014371 855227744 /nfs/dbraw/zinc/22/77/44/855227744.db2.gz JKFKISUSPOIZFK-WBMJQRKESA-N 1 0 390.325 3.613 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC000590030986 855242423 /nfs/dbraw/zinc/24/24/23/855242423.db2.gz CGJWCYRZPDRBTO-UHFFFAOYSA-N 1 0 379.479 3.781 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000590064907 855271974 /nfs/dbraw/zinc/27/19/74/855271974.db2.gz CSBDJDPSCSTTAP-UHFFFAOYSA-N 1 0 388.515 3.756 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000590194701 855316342 /nfs/dbraw/zinc/31/63/42/855316342.db2.gz HSLFBNITXSVGTI-NVGCLXPQSA-N 1 0 384.293 3.682 20 30 GHEDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000590386607 855376123 /nfs/dbraw/zinc/37/61/23/855376123.db2.gz CJFAXHNVLUPCDO-SFHVURJKSA-N 1 0 389.499 3.551 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055934492 855434264 /nfs/dbraw/zinc/43/42/64/855434264.db2.gz POIGHMRHCIYZRS-OAHLLOKOSA-N 1 0 376.932 3.592 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1Cl ZINC000536429379 855470378 /nfs/dbraw/zinc/47/03/78/855470378.db2.gz GXOAGMWDPQSTMA-UHFFFAOYSA-N 1 0 392.846 3.663 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000262353895 862691696 /nfs/dbraw/zinc/69/16/96/862691696.db2.gz FNMDFQFBVNIGNS-MRXNPFEDSA-N 1 0 380.517 3.874 20 30 GHEDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000590747448 855562323 /nfs/dbraw/zinc/56/23/23/855562323.db2.gz ZXQXXWKUNJWCLM-UHFFFAOYSA-N 1 0 380.492 3.698 20 30 GHEDRO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000590807377 855597813 /nfs/dbraw/zinc/59/78/13/855597813.db2.gz BAERIWUPRKOBRU-MOPGFXCFSA-N 1 0 376.504 3.783 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C#N)cc2C)ccc1OC ZINC000164163726 862700687 /nfs/dbraw/zinc/70/06/87/862700687.db2.gz CASPDZNIWFPWSF-UHFFFAOYSA-N 1 0 381.476 3.848 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000590939637 855664845 /nfs/dbraw/zinc/66/48/45/855664845.db2.gz JPVOPUHCCUGFJE-LEWJYISDSA-N 1 0 394.544 3.870 20 30 GHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000590940971 855665608 /nfs/dbraw/zinc/66/56/08/855665608.db2.gz SWFRZKPRTAQBKC-UHFFFAOYSA-N 1 0 376.913 3.547 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301658308 855735670 /nfs/dbraw/zinc/73/56/70/855735670.db2.gz BRESISWRURJPDT-UXHICEINSA-N 1 0 376.460 3.957 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301825206 855764842 /nfs/dbraw/zinc/76/48/42/855764842.db2.gz OECPAVOBMSDLNH-SFHVURJKSA-N 1 0 384.911 3.841 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000301981048 855795254 /nfs/dbraw/zinc/79/52/54/855795254.db2.gz IKXUMDNVYKNRHU-HUUCEWRRSA-N 1 0 381.442 3.903 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000301999747 855796305 /nfs/dbraw/zinc/79/63/05/855796305.db2.gz VODAKBDTNQXTJD-CALCHBBNSA-N 1 0 396.510 3.880 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000482137918 862724351 /nfs/dbraw/zinc/72/43/51/862724351.db2.gz BFUBOBRSEPRMKA-LJQANCHMSA-N 1 0 394.519 3.840 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465754201 855860025 /nfs/dbraw/zinc/86/00/25/855860025.db2.gz NAAXGRWZJWVZQL-HMXCVIKNSA-N 1 0 382.552 3.978 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000157242048 855862711 /nfs/dbraw/zinc/86/27/11/855862711.db2.gz OMLORSHHFRAIAB-OAQYLSRUSA-N 1 0 382.552 3.500 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cn2)c1 ZINC000591276831 855879109 /nfs/dbraw/zinc/87/91/09/855879109.db2.gz AVDDOQRVLGDHGE-SFHVURJKSA-N 1 0 391.475 3.599 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)ccn1 ZINC000591307828 855901840 /nfs/dbraw/zinc/90/18/40/855901840.db2.gz NXLSRNHTFSHKBA-QGZVFWFLSA-N 1 0 391.475 3.599 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000108507978 855916316 /nfs/dbraw/zinc/91/63/16/855916316.db2.gz QJMHEHLCGWKUSK-HSZRJFAPSA-N 1 0 391.515 3.526 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000171145994 855980683 /nfs/dbraw/zinc/98/06/83/855980683.db2.gz XZZPMDPNOHJRRI-UHFFFAOYSA-N 1 0 393.535 3.943 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)n1-c1ccc(C#N)cc1 ZINC000157310945 856019021 /nfs/dbraw/zinc/01/90/21/856019021.db2.gz BPFQMWUAOXAWOF-DENIHFKCSA-N 1 0 376.504 3.522 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000123192657 856077372 /nfs/dbraw/zinc/07/73/72/856077372.db2.gz FVHOISVMKJTCFL-DYESRHJHSA-N 1 0 377.488 3.692 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000520706746 856082020 /nfs/dbraw/zinc/08/20/20/856082020.db2.gz JLNXWCNGVIXJBT-INIZCTEOSA-N 1 0 384.549 3.836 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000520717545 856138034 /nfs/dbraw/zinc/13/80/34/856138034.db2.gz CJSBIMNUTSDNHF-OAQYLSRUSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccncc2)cc1 ZINC001168657644 856229411 /nfs/dbraw/zinc/22/94/11/856229411.db2.gz PFJCSGNAFMTLPM-GOSISDBHSA-N 1 0 395.462 3.699 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000591763682 856231435 /nfs/dbraw/zinc/23/14/35/856231435.db2.gz BEGGGUIKXSLPFO-GOSISDBHSA-N 1 0 384.277 3.926 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000591763737 856231456 /nfs/dbraw/zinc/23/14/56/856231456.db2.gz GMRBMNUFJDEXGH-QAPCUYQASA-N 1 0 377.271 3.882 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2oc3ccc(Br)cc3c2C)CC1 ZINC000171723018 856244344 /nfs/dbraw/zinc/24/43/44/856244344.db2.gz VCSUAZMMAQUVQN-UHFFFAOYSA-N 1 0 377.282 3.884 20 30 GHEDRO C#CC[N@@H+](C[C@@H](O)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195133 862774008 /nfs/dbraw/zinc/77/40/08/862774008.db2.gz FAIIJNBNCPUFFD-RBUKOAKNSA-N 1 0 386.289 3.942 20 30 GHEDRO C#CC[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000888348239 856294236 /nfs/dbraw/zinc/29/42/36/856294236.db2.gz MLYGRKCWLDLSHC-HNNXBMFYSA-N 1 0 375.900 3.690 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)nc1 ZINC000060480988 856306889 /nfs/dbraw/zinc/30/68/89/856306889.db2.gz ZYVMJFWPUZLBJL-UHFFFAOYSA-N 1 0 379.467 3.814 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000172182886 856365620 /nfs/dbraw/zinc/36/56/20/856365620.db2.gz BIJORCSHISNSDL-OXQOHEQNSA-N 1 0 393.487 3.812 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(C)C ZINC000046018417 856382120 /nfs/dbraw/zinc/38/21/20/856382120.db2.gz SJCXNDJFYRBDFO-MAUKXSAKSA-N 1 0 387.549 3.548 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000046105222 856490334 /nfs/dbraw/zinc/49/03/34/856490334.db2.gz JLPQCZNTNWOOEK-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO C[C@@H](Nc1ccc(CCC#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905856120 856664317 /nfs/dbraw/zinc/66/43/17/856664317.db2.gz OJKGKTOFRJFRTF-LJQANCHMSA-N 1 0 390.531 3.724 20 30 GHEDRO COCCN(CCC#N)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000592278500 856733775 /nfs/dbraw/zinc/73/37/75/856733775.db2.gz YYPZVENUGYUXCQ-UHFFFAOYSA-N 1 0 390.553 3.659 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@]1(C#N)CC3CCC1CC3)c1ccccc1O2 ZINC000906106072 856832871 /nfs/dbraw/zinc/83/28/71/856832871.db2.gz GMACSLLHWYDLGF-HCWLFVDQSA-N 1 0 393.531 3.811 20 30 GHEDRO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000485653585 856883163 /nfs/dbraw/zinc/88/31/63/856883163.db2.gz GMSYYVIZJVAAFR-HXUWFJFHSA-N 1 0 378.476 3.916 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)CC1 ZINC000592526145 856921041 /nfs/dbraw/zinc/92/10/41/856921041.db2.gz USSHVDOQTKZMJP-MRXNPFEDSA-N 1 0 379.907 3.846 20 30 GHEDRO C[C@@H](Sc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000173713582 857101436 /nfs/dbraw/zinc/10/14/36/857101436.db2.gz OQBSQZJSKMUEKD-QGZVFWFLSA-N 1 0 379.529 3.820 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000366868658 857109823 /nfs/dbraw/zinc/10/98/23/857109823.db2.gz ZGTDQOHXMWUANC-DFNIBXOVSA-N 1 0 391.556 3.949 20 30 GHEDRO CC[C@H](Nc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593884130 862878069 /nfs/dbraw/zinc/87/80/69/862878069.db2.gz TUBHIFXEBLBIEB-QFIPXVFZSA-N 1 0 376.504 3.530 20 30 GHEDRO N#Cc1sc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1Cl ZINC000888410927 857129955 /nfs/dbraw/zinc/12/99/55/857129955.db2.gz IIVPSOSUSWKCRE-ZDUSSCGKSA-N 1 0 381.933 3.788 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888411297 857131011 /nfs/dbraw/zinc/13/10/11/857131011.db2.gz UBWBUYMYDXLVSZ-UHFFFAOYSA-N 1 0 377.901 3.784 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1cc(F)cc(Br)c1 ZINC000485843871 857138992 /nfs/dbraw/zinc/13/89/92/857138992.db2.gz FEKMBBUOLWGXKM-DOTOQJQBSA-N 1 0 384.293 3.683 20 30 GHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]2CCCO2)c1 ZINC000064400565 857144064 /nfs/dbraw/zinc/14/40/64/857144064.db2.gz SXMUEJBIKNYKFJ-QFIPXVFZSA-N 1 0 393.487 3.577 20 30 GHEDRO CC(C)[C@@H](CO)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000112657145 857176201 /nfs/dbraw/zinc/17/62/01/857176201.db2.gz HLOAJNPTBCBEED-HXUWFJFHSA-N 1 0 385.895 3.669 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173964243 857188301 /nfs/dbraw/zinc/18/83/01/857188301.db2.gz HRVROTOKTHXDOQ-HUUCEWRRSA-N 1 0 384.411 3.720 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1cc(C#N)ccn1 ZINC001128192773 857192605 /nfs/dbraw/zinc/19/26/05/857192605.db2.gz WDFXFRNHQMQOFK-RCZVLFRGSA-N 1 0 396.494 3.982 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000174170732 857218712 /nfs/dbraw/zinc/21/87/12/857218712.db2.gz QQCUKIXGXUSVNB-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C#N)c1C ZINC000246130624 857242857 /nfs/dbraw/zinc/24/28/57/857242857.db2.gz IUEQQQQLKHKGGA-HKUYNNGSSA-N 1 0 386.540 3.683 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574138163 857258788 /nfs/dbraw/zinc/25/87/88/857258788.db2.gz RMCYFCUCZJESAQ-FJDVCKPCSA-N 1 0 387.527 3.935 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000593113113 857330944 /nfs/dbraw/zinc/33/09/44/857330944.db2.gz XDVQMEIHQMPNKX-GOSISDBHSA-N 1 0 390.405 3.790 20 30 GHEDRO Cc1cccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000042643468 857416696 /nfs/dbraw/zinc/41/66/96/857416696.db2.gz ISGQVQUDJZSIBP-FQEVSTJZSA-N 1 0 390.531 3.710 20 30 GHEDRO C=CCCCC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC001129027693 857512233 /nfs/dbraw/zinc/51/22/33/857512233.db2.gz APZBZEGGXPDMOS-CQSZACIVSA-N 1 0 380.330 3.884 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593526497 857598200 /nfs/dbraw/zinc/59/82/00/857598200.db2.gz GKWYYIJHGTVGHH-UHFFFAOYSA-N 1 0 399.560 3.808 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1Cl ZINC000065503713 857635901 /nfs/dbraw/zinc/63/59/01/857635901.db2.gz RBARLNXZGIJGBF-UHFFFAOYSA-N 1 0 384.911 3.528 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O ZINC000499601982 857689021 /nfs/dbraw/zinc/68/90/21/857689021.db2.gz HTBMOMTXURGVQM-MGPUTAFESA-N 1 0 381.451 3.516 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(-c2cnn(C)c2)ccc1F)C(C)C ZINC000543011969 857830376 /nfs/dbraw/zinc/83/03/76/857830376.db2.gz UEKZLWVRZRTJRY-NRFANRHFSA-N 1 0 384.499 3.655 20 30 GHEDRO N#C[C@@]1(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC2CCC1CC2 ZINC000907871452 857832357 /nfs/dbraw/zinc/83/23/57/857832357.db2.gz HKOLCASLHKLQGX-CTDBDGIRSA-N 1 0 383.458 3.628 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000593966390 857833498 /nfs/dbraw/zinc/83/34/98/857833498.db2.gz CCPBZBJRKSOXKN-QFIPXVFZSA-N 1 0 380.463 3.811 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000922112075 857891266 /nfs/dbraw/zinc/89/12/66/857891266.db2.gz BXKXYPGIRXXRME-UHFFFAOYSA-N 1 0 396.434 3.887 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000466039872 857961963 /nfs/dbraw/zinc/96/19/63/857961963.db2.gz SZMYHPHQTFNKPF-FXAWDEMLSA-N 1 0 392.503 3.936 20 30 GHEDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000109788477 857982520 /nfs/dbraw/zinc/98/25/20/857982520.db2.gz RVFVKYNEHTWKGK-QGZVFWFLSA-N 1 0 388.581 3.683 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)[NH+](C)C)c1 ZINC000066175173 857987227 /nfs/dbraw/zinc/98/72/27/857987227.db2.gz SYSGZLLVLKKZNR-JOCHJYFZSA-N 1 0 394.519 3.790 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000508400257 858020021 /nfs/dbraw/zinc/02/00/21/858020021.db2.gz HBFONDNDRPAWDD-UHFFFAOYSA-N 1 0 376.504 3.756 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000499649972 858066023 /nfs/dbraw/zinc/06/60/23/858066023.db2.gz ZMIVUMINZPCEMY-IAGOWNOFSA-N 1 0 381.289 3.806 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1CCC(C#N)CC1 ZINC000442727806 858073566 /nfs/dbraw/zinc/07/35/66/858073566.db2.gz GPGXOLABMRHBQX-UHFFFAOYSA-N 1 0 376.932 3.743 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCC1CCC(C#N)CC1 ZINC000442739727 858079426 /nfs/dbraw/zinc/07/94/26/858079426.db2.gz QYIQGSSHGDWGMP-UHFFFAOYSA-N 1 0 376.467 3.622 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000594357750 858102298 /nfs/dbraw/zinc/10/22/98/858102298.db2.gz MNJWJXINFICCLE-JXFKEZNVSA-N 1 0 383.923 3.852 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c(C(F)(F)F)c1 ZINC000554979598 858138085 /nfs/dbraw/zinc/13/80/85/858138085.db2.gz VFQOPJRGAUFLMI-IBGZPJMESA-N 1 0 389.421 3.568 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)s2)cc1 ZINC000594442049 858178338 /nfs/dbraw/zinc/17/83/38/858178338.db2.gz AOJSOQNWEQEJRX-GUYCJALGSA-N 1 0 386.521 3.716 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000594443677 858179065 /nfs/dbraw/zinc/17/90/65/858179065.db2.gz RZMPWNMBUGDTAH-KRWDZBQOSA-N 1 0 378.314 3.566 20 30 GHEDRO Cc1cccc([C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)N2CCOCC2)c1 ZINC000594495283 858191123 /nfs/dbraw/zinc/19/11/23/858191123.db2.gz PNMGSCLNIFPNDV-HSZRJFAPSA-N 1 0 377.532 3.959 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000594495819 858191215 /nfs/dbraw/zinc/19/12/15/858191215.db2.gz CXMJNFCDRMFLDU-JOCHJYFZSA-N 1 0 391.515 3.686 20 30 GHEDRO CC(C)(C#N)c1ccc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000594505720 858196327 /nfs/dbraw/zinc/19/63/27/858196327.db2.gz WRIDLZJYAZVMJZ-OAQYLSRUSA-N 1 0 376.504 3.550 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(OC)c1 ZINC000594517524 858206956 /nfs/dbraw/zinc/20/69/56/858206956.db2.gz XGNNOLSQIZSRFD-MRXNPFEDSA-N 1 0 393.487 3.962 20 30 GHEDRO CSc1nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc(C(F)F)n1 ZINC000594586823 858230962 /nfs/dbraw/zinc/23/09/62/858230962.db2.gz HVBCKZSFIFFSHX-UHFFFAOYSA-N 1 0 389.475 3.506 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000521697171 858240852 /nfs/dbraw/zinc/24/08/52/858240852.db2.gz YBXHADNMXBSODW-HSZRJFAPSA-N 1 0 388.515 3.920 20 30 GHEDRO N#Cc1ccc(OCCNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000466105432 858272751 /nfs/dbraw/zinc/27/27/51/858272751.db2.gz TZZREAJDTQOKGK-UHFFFAOYSA-N 1 0 392.503 3.787 20 30 GHEDRO CC(C)[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000078876168 858280620 /nfs/dbraw/zinc/28/06/20/858280620.db2.gz CPEPZVIYOHRARU-JOCHJYFZSA-N 1 0 385.552 3.980 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cn2)C[C@H](C)O1 ZINC000594924603 858306204 /nfs/dbraw/zinc/30/62/04/858306204.db2.gz KDFLSPWALZIPLD-ROUUACIJSA-N 1 0 376.504 3.540 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281419296 863017284 /nfs/dbraw/zinc/01/72/84/863017284.db2.gz DDDNLJCFGWUWIW-WMZHIEFXSA-N 1 0 392.547 3.744 20 30 GHEDRO N#CCC[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000595268306 858457600 /nfs/dbraw/zinc/45/76/00/858457600.db2.gz IBQSSFAKDKJRMB-YYWHXJBOSA-N 1 0 398.457 3.755 20 30 GHEDRO N#CCCC[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000595266962 858458028 /nfs/dbraw/zinc/45/80/28/858458028.db2.gz LDWIXFACHGVVQU-BHIFYINESA-N 1 0 376.504 3.866 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595573701 858556663 /nfs/dbraw/zinc/55/66/63/858556663.db2.gz HMDUMTUFXAMVAD-ZSZQSSIHSA-N 1 0 392.906 3.807 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595551720 858563966 /nfs/dbraw/zinc/56/39/66/858563966.db2.gz KFKLCFCQZNOVDP-QGZVFWFLSA-N 1 0 393.535 3.549 20 30 GHEDRO Cc1ccc(CC[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000466177672 858607146 /nfs/dbraw/zinc/60/71/46/858607146.db2.gz IENHUFATEYQOLS-QGZVFWFLSA-N 1 0 382.508 3.554 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c(C(F)(F)F)c1 ZINC000575221486 858609843 /nfs/dbraw/zinc/60/98/43/858609843.db2.gz WUQMDXPASYBBJD-UHFFFAOYSA-N 1 0 379.426 3.848 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000595603906 858628276 /nfs/dbraw/zinc/62/82/76/858628276.db2.gz QMYBMWLQAUBDAK-AZUAARDMSA-N 1 0 386.540 3.676 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000595603908 858628345 /nfs/dbraw/zinc/62/83/45/858628345.db2.gz QMYBMWLQAUBDAK-QUCCMNQESA-N 1 0 386.540 3.676 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000595693311 858649345 /nfs/dbraw/zinc/64/93/45/858649345.db2.gz MCPQDUNVFSZEHN-CVDCTZTESA-N 1 0 390.531 3.701 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115762350 858655054 /nfs/dbraw/zinc/65/50/54/858655054.db2.gz OJKDOHLRKVYZAM-UHFFFAOYSA-N 1 0 384.455 3.868 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595746553 858673227 /nfs/dbraw/zinc/67/32/27/858673227.db2.gz CCUGJIGKTCHXOR-RBUKOAKNSA-N 1 0 385.305 3.919 20 30 GHEDRO Cc1ccc([C@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1C ZINC000595775768 858684227 /nfs/dbraw/zinc/68/42/27/858684227.db2.gz YBIBLYRJCORLOL-IBGZPJMESA-N 1 0 391.515 3.648 20 30 GHEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)O1 ZINC000595781069 858686379 /nfs/dbraw/zinc/68/63/79/858686379.db2.gz QNTTXZHOVYHSLP-CABCVRRESA-N 1 0 375.538 3.717 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595785249 858686845 /nfs/dbraw/zinc/68/68/45/858686845.db2.gz CVDGTRFJTOADCN-JOCHJYFZSA-N 1 0 383.536 3.831 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595789658 858689849 /nfs/dbraw/zinc/68/98/49/858689849.db2.gz RTIKISQHWCFOTJ-UTKZUKDTSA-N 1 0 387.499 3.742 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NCc3csc(C(F)(F)F)n3)CC2)c1 ZINC000895186720 858702333 /nfs/dbraw/zinc/70/23/33/858702333.db2.gz AMKAZOWSJIWHPA-UHFFFAOYSA-N 1 0 380.439 3.788 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC3=CCSC3)sc2C1 ZINC000595887978 858708109 /nfs/dbraw/zinc/70/81/09/858708109.db2.gz JXZIRYCNFKBBGV-CYBMUJFWSA-N 1 0 375.563 3.678 20 30 GHEDRO CC(C)(NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000596093823 858781973 /nfs/dbraw/zinc/78/19/73/858781973.db2.gz XTQAZTFYJAFVQU-SFHVURJKSA-N 1 0 382.533 3.991 20 30 GHEDRO Cc1cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596181424 858799387 /nfs/dbraw/zinc/79/93/87/858799387.db2.gz AZPRWZVPHNKCHI-UHFFFAOYSA-N 1 0 379.464 3.913 20 30 GHEDRO Cc1nc(N2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(Cl)cc1C#N ZINC000856535306 881346233 /nfs/dbraw/zinc/34/62/33/881346233.db2.gz VBGHYABXVTYPSW-LJQANCHMSA-N 1 0 399.926 3.808 20 30 GHEDRO Cn1ncc(C#N)c1NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000596226932 858821177 /nfs/dbraw/zinc/82/11/77/858821177.db2.gz SPGDBNJKXKLSTK-OAHLLOKOSA-N 1 0 385.821 3.983 20 30 GHEDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000439269821 858885271 /nfs/dbraw/zinc/88/52/71/858885271.db2.gz DOWMRVQAUGCBFY-HSZRJFAPSA-N 1 0 380.488 3.883 20 30 GHEDRO N#Cc1ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C(F)(F)F)c1 ZINC000596422151 858892919 /nfs/dbraw/zinc/89/29/19/858892919.db2.gz BFGSHAGJNBMFKQ-QGZVFWFLSA-N 1 0 375.394 3.756 20 30 GHEDRO C[C@H](C1CC1)n1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593183760 858906834 /nfs/dbraw/zinc/90/68/34/858906834.db2.gz IZUPEMZWHUHXCM-MRXNPFEDSA-N 1 0 392.507 3.512 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCc1ccc(C#N)cc1 ZINC000596486058 858909567 /nfs/dbraw/zinc/90/95/67/858909567.db2.gz SDCHTPWXFCGKRA-MOJGAOKDSA-N 1 0 390.531 3.557 20 30 GHEDRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)NCC1(C#N)CC1 ZINC000596586032 858952192 /nfs/dbraw/zinc/95/21/92/858952192.db2.gz ALWHJWUJOPKJGZ-UHFFFAOYSA-N 1 0 376.932 3.887 20 30 GHEDRO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000116410844 858963745 /nfs/dbraw/zinc/96/37/45/858963745.db2.gz ORLNZROXDJDLMT-RBBKRZOGSA-N 1 0 382.529 3.591 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000596658471 858977589 /nfs/dbraw/zinc/97/75/89/858977589.db2.gz REDBVQDUPQYKAX-QGZVFWFLSA-N 1 0 379.464 3.740 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000568143374 859010606 /nfs/dbraw/zinc/01/06/06/859010606.db2.gz OZLFPCDYSONJGZ-HJOGWXRNSA-N 1 0 375.516 3.815 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CCc1ccc(C#N)cc1)CCO2 ZINC000922235739 859105225 /nfs/dbraw/zinc/10/52/25/859105225.db2.gz JNTKZDUJRCFXJU-FQEVSTJZSA-N 1 0 399.535 3.639 20 30 GHEDRO N#Cc1cccc(C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000923190451 859111231 /nfs/dbraw/zinc/11/12/31/859111231.db2.gz HGAHXOIECVIUGV-JOCHJYFZSA-N 1 0 389.499 3.502 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Br)c(F)c1 ZINC000494263293 881383294 /nfs/dbraw/zinc/38/32/94/881383294.db2.gz WXTRRMUPEOGIEC-UHFFFAOYSA-N 1 0 390.256 3.920 20 30 GHEDRO C=CCC1([NH2+]CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CCCCC1 ZINC000625936118 859188977 /nfs/dbraw/zinc/18/89/77/859188977.db2.gz AMFFWYWOPJXHEJ-UHFFFAOYSA-N 1 0 389.584 3.543 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CCCCC1 ZINC000625937440 859189571 /nfs/dbraw/zinc/18/95/71/859189571.db2.gz ZIOLYWNGBKGCCF-UHFFFAOYSA-N 1 0 377.916 3.606 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000483173570 859204608 /nfs/dbraw/zinc/20/46/08/859204608.db2.gz HOBQGCWBZRNNJF-OFNKIYASSA-N 1 0 376.500 3.766 20 30 GHEDRO Cc1cc(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)nc(C(C)C)n1 ZINC000596980491 859209751 /nfs/dbraw/zinc/20/97/51/859209751.db2.gz PAIIRAMZBKAVBZ-UHFFFAOYSA-N 1 0 375.520 3.786 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000160800663 859223789 /nfs/dbraw/zinc/22/37/89/859223789.db2.gz GBCBDJNZMYSIIJ-QMMMGPOBSA-N 1 0 394.228 3.911 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483245146 859237719 /nfs/dbraw/zinc/23/77/19/859237719.db2.gz HGJPUWUAYWVYBW-SFHVURJKSA-N 1 0 388.556 3.710 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCC4(C[C@H]4C(=O)N4CCCCC4)CC3)cc2)CC1 ZINC000597085544 859274192 /nfs/dbraw/zinc/27/41/92/859274192.db2.gz VPJLOFZPWJURAS-NRFANRHFSA-N 1 0 377.532 3.856 20 30 GHEDRO N#CC1(c2ccc(CN3CCO[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]43)cc2)CC1 ZINC000597158578 859321818 /nfs/dbraw/zinc/32/18/18/859321818.db2.gz RDPJOBMLAYOSFH-BJKOFHAPSA-N 1 0 387.527 3.717 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)CC1 ZINC000764305744 859367878 /nfs/dbraw/zinc/36/78/78/859367878.db2.gz MIONAPMKRJQMCS-UHFFFAOYSA-N 1 0 399.838 3.678 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)CC2(C#N)CCCCC2)CCOCC1)c1ccccc1 ZINC000597235470 859368396 /nfs/dbraw/zinc/36/83/96/859368396.db2.gz HHHHCQNXBGQYDR-LJQANCHMSA-N 1 0 383.536 3.867 20 30 GHEDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593314686 859380644 /nfs/dbraw/zinc/38/06/44/859380644.db2.gz FKVZPUHVTKKSIG-GOSISDBHSA-N 1 0 376.504 3.892 20 30 GHEDRO N#CC1(CC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)CCCCC1 ZINC000597273467 859416498 /nfs/dbraw/zinc/41/64/98/859416498.db2.gz NEDPDAVEIJKULV-UHFFFAOYSA-N 1 0 387.499 3.649 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000138701268 859500958 /nfs/dbraw/zinc/50/09/58/859500958.db2.gz UVXQPMGGAKKWPU-QGZVFWFLSA-N 1 0 395.528 3.556 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CSc4ccccc43)CC2)c1 ZINC000593348387 859520714 /nfs/dbraw/zinc/52/07/14/859520714.db2.gz GDEWWJWJPXSQGU-HXUWFJFHSA-N 1 0 392.528 3.669 20 30 GHEDRO CCC1(CNC(=O)CC2(C#N)CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000597432274 859535559 /nfs/dbraw/zinc/53/55/59/859535559.db2.gz DXERCDSTAVRJIO-UHFFFAOYSA-N 1 0 383.536 3.505 20 30 GHEDRO COc1cccc([C@H](C)CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593352845 859537178 /nfs/dbraw/zinc/53/71/78/859537178.db2.gz FSCAEBXETBURSG-GOSISDBHSA-N 1 0 391.515 3.841 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@]3(F)c3ccccc3)CC2)c1 ZINC000593349049 859541547 /nfs/dbraw/zinc/54/15/47/859541547.db2.gz PIMFCZLVQYQNCZ-GGAORHGYSA-N 1 0 377.463 3.524 20 30 GHEDRO COc1ccc2occ(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c2c1 ZINC000593349536 859542567 /nfs/dbraw/zinc/54/25/67/859542567.db2.gz QMGSVXQMJYCEJQ-UHFFFAOYSA-N 1 0 389.455 3.707 20 30 GHEDRO N#CC1(NC(=O)c2ccc(F)c3ccncc23)CC[NH+](Cc2ccccc2)CC1 ZINC000597474247 859561772 /nfs/dbraw/zinc/56/17/72/859561772.db2.gz FFDBEAXQESOOMR-UHFFFAOYSA-N 1 0 388.446 3.662 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c(F)c1 ZINC000611029101 859580224 /nfs/dbraw/zinc/58/02/24/859580224.db2.gz BGYBOVKFKCIHKH-ROUUACIJSA-N 1 0 391.446 3.784 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H]1C ZINC000611095099 859607533 /nfs/dbraw/zinc/60/75/33/859607533.db2.gz SJSIMVFTFRPFIP-INIZCTEOSA-N 1 0 396.466 3.834 20 30 GHEDRO COC(=O)c1cnc(CC2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)s1 ZINC000895563466 859659304 /nfs/dbraw/zinc/65/93/04/859659304.db2.gz HLSAAYFDMZSMKD-OAHLLOKOSA-N 1 0 399.516 3.675 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)o1 ZINC000611261615 859671206 /nfs/dbraw/zinc/67/12/06/859671206.db2.gz AXKKMAMHWOKIQF-UHFFFAOYSA-N 1 0 396.491 3.508 20 30 GHEDRO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nc1C ZINC000895583633 859679388 /nfs/dbraw/zinc/67/93/88/859679388.db2.gz MISTWGWZLYHRKA-YOEHRIQHSA-N 1 0 399.516 3.909 20 30 GHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000118020253 859688922 /nfs/dbraw/zinc/68/89/22/859688922.db2.gz OBELJNGQUMOXQV-LJQANCHMSA-N 1 0 394.475 3.583 20 30 GHEDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000611320339 859691347 /nfs/dbraw/zinc/69/13/47/859691347.db2.gz GQRFZZZLGFDTLP-INIZCTEOSA-N 1 0 383.410 3.848 20 30 GHEDRO CCc1ccc(C2=CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC000611319698 859692083 /nfs/dbraw/zinc/69/20/83/859692083.db2.gz OBFCHEPHOHDBNV-QHCPKHFHSA-N 1 0 376.500 3.844 20 30 GHEDRO CS[C@@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)(C)C ZINC000593391895 859705503 /nfs/dbraw/zinc/70/55/03/859705503.db2.gz PMDHDZLYDWZKLX-IBGZPJMESA-N 1 0 388.581 3.600 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCC#Cc2ccccc2)c2ccccc2)CC1 ZINC000060630934 859706666 /nfs/dbraw/zinc/70/66/66/859706666.db2.gz YFCXUTHRIXCASG-HSZRJFAPSA-N 1 0 375.516 3.811 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000611350130 859713859 /nfs/dbraw/zinc/71/38/59/859713859.db2.gz BUFNTJHCLLBLJJ-LEWJYISDSA-N 1 0 383.536 3.689 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611351003 859714566 /nfs/dbraw/zinc/71/45/66/859714566.db2.gz XVIHYJKQLJVGGI-BZUAXINKSA-N 1 0 375.900 3.677 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc(C#N)c1 ZINC000611388398 859731903 /nfs/dbraw/zinc/73/19/03/859731903.db2.gz HMDIBJAJOQIGCY-ZDUSSCGKSA-N 1 0 385.851 3.662 20 30 GHEDRO CCOC(=O)c1c(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)sc2c1CCC2 ZINC000611389099 859733016 /nfs/dbraw/zinc/73/30/16/859733016.db2.gz XANSLLIHZDMGEW-CYBMUJFWSA-N 1 0 397.500 3.574 20 30 GHEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391455 859741416 /nfs/dbraw/zinc/74/14/16/859741416.db2.gz ZLKCIZXBNHDEQR-JOCHJYFZSA-N 1 0 397.544 3.553 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1=S ZINC000765024667 859748887 /nfs/dbraw/zinc/74/88/87/859748887.db2.gz HDQKUVMVBJQHDS-IBGZPJMESA-N 1 0 397.592 3.951 20 30 GHEDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc3ccccc3n1CC#N)CC2 ZINC000597704322 859752689 /nfs/dbraw/zinc/75/26/89/859752689.db2.gz SPGCRMQSAFVFAO-UHFFFAOYSA-N 1 0 378.520 3.891 20 30 GHEDRO N#CC1(NC(=O)C/C=C\c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000611498613 859785650 /nfs/dbraw/zinc/78/56/50/859785650.db2.gz UWBPIOYRFXNXRN-DAXSKMNVSA-N 1 0 377.463 3.904 20 30 GHEDRO CC[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000484101776 859806052 /nfs/dbraw/zinc/80/60/52/859806052.db2.gz RFWHBUAZQSDMKX-QFIPXVFZSA-N 1 0 376.500 3.780 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000163548504 859922930 /nfs/dbraw/zinc/92/29/30/859922930.db2.gz UAHWKMPOVFOVOX-FQEVSTJZSA-N 1 0 391.519 3.995 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000597925555 859932557 /nfs/dbraw/zinc/93/25/57/859932557.db2.gz XJAULWAWTZJYLL-FQEVSTJZSA-N 1 0 377.488 3.740 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000154021446 859968289 /nfs/dbraw/zinc/96/82/89/859968289.db2.gz VVPGUZDABPJBLW-UHFFFAOYSA-N 1 0 379.504 3.874 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000484387133 859983513 /nfs/dbraw/zinc/98/35/13/859983513.db2.gz JMBUEQKFDZZNDI-SFHVURJKSA-N 1 0 380.330 3.672 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123561757 860000769 /nfs/dbraw/zinc/00/07/69/860000769.db2.gz AFZURHPJGMXKQB-KRWDZBQOSA-N 1 0 379.895 3.784 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)Cc3cccc(C#N)c3)sc2c1)C1CC1 ZINC000598028113 860009101 /nfs/dbraw/zinc/00/91/01/860009101.db2.gz MSTPHKUWXVQKTC-UHFFFAOYSA-N 1 0 376.485 3.943 20 30 GHEDRO C=C(C)C[NH+]1CCC(N2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000761253932 860041210 /nfs/dbraw/zinc/04/12/10/860041210.db2.gz TYKSVNNEIVKFLR-UHFFFAOYSA-N 1 0 395.425 3.510 20 30 GHEDRO CCOc1ccc(C2(C[NH2+][C@H](C)CC3(C#N)CCOCC3)CCOCC2)cc1 ZINC000602521097 860074121 /nfs/dbraw/zinc/07/41/21/860074121.db2.gz LWLOMZAYZIZUHA-LJQANCHMSA-N 1 0 386.536 3.822 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H](CC(F)(F)F)C3)CC2)c1 ZINC000593513373 860085074 /nfs/dbraw/zinc/08/50/74/860085074.db2.gz IKXPOFSIJWYWMO-QGZVFWFLSA-N 1 0 394.441 3.507 20 30 GHEDRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602542794 860088824 /nfs/dbraw/zinc/08/88/24/860088824.db2.gz XOELBHBZDWIAKK-CVEARBPZSA-N 1 0 394.313 3.532 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N(CC(F)F)CC3CCC3)CC2)c1 ZINC000593514127 860101348 /nfs/dbraw/zinc/10/13/48/860101348.db2.gz QIOHJPVPQPAVEE-UHFFFAOYSA-N 1 0 390.478 3.599 20 30 GHEDRO C[C@@H]1CC[C@@]2(CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C2)C1 ZINC000593514418 860103456 /nfs/dbraw/zinc/10/34/56/860103456.db2.gz WVRJCPXAYCOTQJ-WZONZLPQSA-N 1 0 380.536 3.744 20 30 GHEDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000092705678 860108971 /nfs/dbraw/zinc/10/89/71/860108971.db2.gz BKJKAGZOUZEVTQ-OAQYLSRUSA-N 1 0 377.488 3.628 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000602564825 860116475 /nfs/dbraw/zinc/11/64/75/860116475.db2.gz ONXLKKARBGVSPE-CABCVRRESA-N 1 0 396.354 3.904 20 30 GHEDRO CC1(CC(F)(F)F)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593515570 860122800 /nfs/dbraw/zinc/12/28/00/860122800.db2.gz KOYCZBOPOIAUHX-UHFFFAOYSA-N 1 0 394.441 3.507 20 30 GHEDRO CCN(Cc1occc1C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593516932 860134023 /nfs/dbraw/zinc/13/40/23/860134023.db2.gz QLQQDAMTPUTTLG-UHFFFAOYSA-N 1 0 380.492 3.656 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1OCc1ccccc1 ZINC001170387038 881503521 /nfs/dbraw/zinc/50/35/21/881503521.db2.gz QTPXRFRSLBFTJO-VSKRKVRLSA-N 1 0 389.499 3.637 20 30 GHEDRO C[C@]12CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000593517675 860146580 /nfs/dbraw/zinc/14/65/80/860146580.db2.gz UBFDIPOOWZYZQY-CETSDDCJSA-N 1 0 392.547 3.600 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001168544862 860201384 /nfs/dbraw/zinc/20/13/84/860201384.db2.gz MCMJAMKEQMONPU-WBVHZDCISA-N 1 0 378.476 3.615 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000124054925 860213834 /nfs/dbraw/zinc/21/38/34/860213834.db2.gz MNWSTVXEALQLEL-UHFFFAOYSA-N 1 0 389.499 3.628 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCN(c4cccnn4)CC3)c2)c1 ZINC000093150753 860220355 /nfs/dbraw/zinc/22/03/55/860220355.db2.gz YFYGVDQQCTZFAB-UHFFFAOYSA-N 1 0 399.498 3.640 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C2)CC1 ZINC000328779767 860232062 /nfs/dbraw/zinc/23/20/62/860232062.db2.gz MEFSODSWXXYKEY-HNNXBMFYSA-N 1 0 386.446 3.876 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000328807785 860238090 /nfs/dbraw/zinc/23/80/90/860238090.db2.gz NUMBMWXFNNUUSQ-GOSISDBHSA-N 1 0 378.520 3.778 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CC(c2ccccc2)C1 ZINC000555216430 860238464 /nfs/dbraw/zinc/23/84/64/860238464.db2.gz WHLMXTHTLXWGRK-UHFFFAOYSA-N 1 0 390.531 3.825 20 30 GHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508954843 860238521 /nfs/dbraw/zinc/23/85/21/860238521.db2.gz YVMMKROZZIKOMT-SJLPKXTDSA-N 1 0 383.565 3.954 20 30 GHEDRO N#Cc1cnc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(Cl)c1 ZINC000598397395 860281805 /nfs/dbraw/zinc/28/18/05/860281805.db2.gz VHYHASRJPWINJX-SFHVURJKSA-N 1 0 394.906 3.639 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CCC[N@@H+](C(C)C)CC2)c1=S ZINC000727823956 860293216 /nfs/dbraw/zinc/29/32/16/860293216.db2.gz ONBSKVJVXDMJSO-UHFFFAOYSA-N 1 0 385.581 3.564 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000508439136 860300334 /nfs/dbraw/zinc/30/03/34/860300334.db2.gz PWCVZBMMGFRUNK-UHFFFAOYSA-N 1 0 391.490 3.757 20 30 GHEDRO N#CCC1(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)CC1 ZINC000602831572 860305062 /nfs/dbraw/zinc/30/50/62/860305062.db2.gz JJPISJIEKNLULC-UHFFFAOYSA-N 1 0 381.289 3.963 20 30 GHEDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 ZINC000602912229 860363806 /nfs/dbraw/zinc/36/38/06/860363806.db2.gz MKGFNPKDQQZHKQ-HZPDHXFCSA-N 1 0 380.467 3.538 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000602918747 860366971 /nfs/dbraw/zinc/36/69/71/860366971.db2.gz RWIAZFFZCLBVPP-HBGVWJBISA-N 1 0 381.451 3.581 20 30 GHEDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000598539369 860383143 /nfs/dbraw/zinc/38/31/43/860383143.db2.gz HWXAVMFWANJQOD-QFIPXVFZSA-N 1 0 393.487 3.533 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000904381209 860397375 /nfs/dbraw/zinc/39/73/75/860397375.db2.gz LOOLWONNNDYVLC-YLJYHZDGSA-N 1 0 382.851 3.589 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000598614062 860444901 /nfs/dbraw/zinc/44/49/01/860444901.db2.gz AOWCADHGFUDMND-GOSISDBHSA-N 1 0 395.341 3.731 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)on2)c1 ZINC000329869035 860448164 /nfs/dbraw/zinc/44/81/64/860448164.db2.gz YFZAJYLPWGHALQ-UHFFFAOYSA-N 1 0 378.476 3.598 20 30 GHEDRO CCCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000124959393 860541720 /nfs/dbraw/zinc/54/17/20/860541720.db2.gz QAHHZYUIFPCPLY-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO CC(C)(C)[C@@H](CN1C(=O)CCC1=O)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376598 881552477 /nfs/dbraw/zinc/55/24/77/881552477.db2.gz RRHAOZXVXSVHCL-FVRICEFQSA-N 1 0 381.520 3.544 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)c1cc(C#N)ccn1)c1cccc(C(F)(F)F)c1 ZINC000598823040 860601077 /nfs/dbraw/zinc/60/10/77/860601077.db2.gz AJIYWEXMMCOLMT-UHFFFAOYSA-N 1 0 390.409 3.961 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@H+](Cc1ccc(C#N)cc1)C1CC1)O2 ZINC001168414320 860689945 /nfs/dbraw/zinc/68/99/45/860689945.db2.gz OWKPCWZITOKDIE-HXUWFJFHSA-N 1 0 397.519 3.691 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000598960825 860690739 /nfs/dbraw/zinc/69/07/39/860690739.db2.gz OQFJNHJYAVGHGX-UHFFFAOYSA-N 1 0 388.515 3.616 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1OC1CC1 ZINC000598980638 860713026 /nfs/dbraw/zinc/71/30/26/860713026.db2.gz JABQTZWGNIASGS-UHFFFAOYSA-N 1 0 391.515 3.862 20 30 GHEDRO CN(C)c1c(F)c(F)ccc1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000598982456 860713530 /nfs/dbraw/zinc/71/35/30/860713530.db2.gz VKBYRWDPNMUDLM-UHFFFAOYSA-N 1 0 384.474 3.657 20 30 GHEDRO CCN(C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000509066621 860779137 /nfs/dbraw/zinc/77/91/37/860779137.db2.gz DJMKHEMKMMLHHJ-SFHVURJKSA-N 1 0 383.536 3.971 20 30 GHEDRO COCCOCc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000599084335 860786763 /nfs/dbraw/zinc/78/67/63/860786763.db2.gz ASGXKMHAHPCMOS-UHFFFAOYSA-N 1 0 379.504 3.798 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)c(OC)c1 ZINC000021583406 860843822 /nfs/dbraw/zinc/84/38/22/860843822.db2.gz OQDREOTWCJRSFX-QGZVFWFLSA-N 1 0 385.489 3.803 20 30 GHEDRO CCOc1cccc(/C=N/Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c1O ZINC000730147835 860896565 /nfs/dbraw/zinc/89/65/65/860896565.db2.gz UPKFFSLBQXLFJJ-LFVJCYFKSA-N 1 0 385.483 3.691 20 30 GHEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593703430 860930568 /nfs/dbraw/zinc/93/05/68/860930568.db2.gz VCRQVQYFNDJRLJ-IBGZPJMESA-N 1 0 390.531 3.838 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000603629925 860935529 /nfs/dbraw/zinc/93/55/29/860935529.db2.gz NHYKVPGNABXVCS-UHFFFAOYSA-N 1 0 396.922 3.667 20 30 GHEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1=O ZINC000329001651 860939916 /nfs/dbraw/zinc/93/99/16/860939916.db2.gz LHVCRRAUAUUPCM-PVAVHDDUSA-N 1 0 390.325 3.843 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1cccnc1Oc1cccc(F)c1 ZINC000170911901 860970134 /nfs/dbraw/zinc/97/01/34/860970134.db2.gz KMBXVUUTCNWCFB-UHFFFAOYSA-N 1 0 380.423 3.626 20 30 GHEDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329057724 860982141 /nfs/dbraw/zinc/98/21/41/860982141.db2.gz TURMTSFYFWKFMU-JFYQVNSESA-N 1 0 386.536 3.663 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)cc1OC ZINC000623395258 860993505 /nfs/dbraw/zinc/99/35/05/860993505.db2.gz DNOPJNSMROKXQW-HUUCEWRRSA-N 1 0 380.916 3.793 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000599280281 861005302 /nfs/dbraw/zinc/00/53/02/861005302.db2.gz DRIGTZRHWRKWRU-KRWDZBQOSA-N 1 0 378.394 3.842 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2c(F)cccc2F)C2CCCC2)CCOCC1 ZINC000599283605 861010315 /nfs/dbraw/zinc/01/03/15/861010315.db2.gz AATRKYYAZUVDQZ-KRWDZBQOSA-N 1 0 378.463 3.781 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000593723510 861020654 /nfs/dbraw/zinc/02/06/54/861020654.db2.gz WUOFASPLMLEKIE-HNNXBMFYSA-N 1 0 376.460 3.720 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000329112433 861031106 /nfs/dbraw/zinc/03/11/06/861031106.db2.gz RILYFACQOZGIBW-SJLPKXTDSA-N 1 0 396.491 3.905 20 30 GHEDRO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000329119015 861034929 /nfs/dbraw/zinc/03/49/29/861034929.db2.gz OUVYOAYFEYDUFX-FPOVZHCZSA-N 1 0 397.563 3.955 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(N[C@@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)c1 ZINC000593723682 861037775 /nfs/dbraw/zinc/03/77/75/861037775.db2.gz XWCTVYRXGBKITF-JOCHJYFZSA-N 1 0 389.478 3.764 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1OC ZINC000623419589 861038637 /nfs/dbraw/zinc/03/86/37/861038637.db2.gz ORPQWFBGBNCIBM-SFHVURJKSA-N 1 0 380.916 3.650 20 30 GHEDRO O=C(Nc1cccc(C(=O)N2CCCC2)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329123263 861041031 /nfs/dbraw/zinc/04/10/31/861041031.db2.gz LHKDIBUABVAMQS-UHFFFAOYSA-N 1 0 398.551 3.903 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)CCOCC1 ZINC000599340317 861075662 /nfs/dbraw/zinc/07/56/62/861075662.db2.gz SOJLBFKBVYZFDG-ISKFKSNPSA-N 1 0 390.527 3.900 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCOCC1 ZINC000599347905 861083456 /nfs/dbraw/zinc/08/34/56/861083456.db2.gz WOOOYRHQVNLZSV-HXUWFJFHSA-N 1 0 386.442 3.715 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000599350764 861088460 /nfs/dbraw/zinc/08/84/60/861088460.db2.gz ZIJGORBHYWGJML-PBHICJAKSA-N 1 0 394.393 3.590 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000599403939 861142333 /nfs/dbraw/zinc/14/23/33/861142333.db2.gz JJZGKNZJGARWSW-MSOLQXFVSA-N 1 0 382.426 3.817 20 30 GHEDRO Cc1ccc(CCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000603748769 861144687 /nfs/dbraw/zinc/14/46/87/861144687.db2.gz TZIIUMYABWKEES-UHFFFAOYSA-N 1 0 392.547 3.881 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000329219335 861155607 /nfs/dbraw/zinc/15/56/07/861155607.db2.gz AVIJWGBVMKZDBR-DXBBTUNJSA-N 1 0 394.519 3.592 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000329221126 861162962 /nfs/dbraw/zinc/16/29/62/861162962.db2.gz UJTCKWPVCNILKT-NSHDSACASA-N 1 0 396.285 3.609 20 30 GHEDRO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000329223744 861167341 /nfs/dbraw/zinc/16/73/41/861167341.db2.gz YMUYUMCAKIPUMI-JRGCBEDISA-N 1 0 395.547 3.989 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000733852106 863219059 /nfs/dbraw/zinc/21/90/59/863219059.db2.gz SCPVFOVVEQKJLM-OAQYLSRUSA-N 1 0 394.519 3.641 20 30 GHEDRO CC[NH+]=C(NCCc1ccc(Cl)s1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000160049724 863264517 /nfs/dbraw/zinc/26/45/17/863264517.db2.gz RMJFXQXIVHXXMG-HOCLYGCPSA-N 1 0 379.961 3.689 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)ccc1C#N ZINC000281632283 863294187 /nfs/dbraw/zinc/29/41/87/863294187.db2.gz IKBOETKQVAQSAF-GAJHUEQPSA-N 1 0 380.488 3.982 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508462317 863390134 /nfs/dbraw/zinc/39/01/34/863390134.db2.gz VFQUKOGCGVTPIJ-FQEVSTJZSA-N 1 0 397.567 3.828 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000593984461 863623089 /nfs/dbraw/zinc/62/30/89/863623089.db2.gz YWYXNGUZLHWDCR-LKUPVBHCSA-N 1 0 381.545 3.998 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H](C[NH+](C)C)C2)c1=S ZINC000172506321 863701526 /nfs/dbraw/zinc/70/15/26/863701526.db2.gz OGNAXKRLUWSFBU-OAHLLOKOSA-N 1 0 391.972 3.761 20 30 GHEDRO C=CC[N@H+](Cc1ccc(Br)cn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629818 881688737 /nfs/dbraw/zinc/68/87/37/881688737.db2.gz HARBHQOKCGHUCS-CQSZACIVSA-N 1 0 399.296 3.569 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](OC3CCC3)C2)sc2c1CCCC2 ZINC000594026557 863772684 /nfs/dbraw/zinc/77/26/84/863772684.db2.gz MDDBRFXSMFVDEH-INIZCTEOSA-N 1 0 387.549 3.861 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000172607603 863801669 /nfs/dbraw/zinc/80/16/69/863801669.db2.gz METPCVIODWAQNB-UHFFFAOYSA-N 1 0 379.439 3.623 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629727 881697138 /nfs/dbraw/zinc/69/71/38/881697138.db2.gz YUAYYIYWOFNRFV-KRWDZBQOSA-N 1 0 385.475 3.802 20 30 GHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566701 864118641 /nfs/dbraw/zinc/11/86/41/864118641.db2.gz MSICCIVGXISHMO-UHFFFAOYSA-N 1 0 391.515 3.954 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C(=O)OC)c3n2CCCC3)c1 ZINC000856770909 881734090 /nfs/dbraw/zinc/73/40/90/881734090.db2.gz RGRPKUFVKWQRNT-GOSISDBHSA-N 1 0 381.476 3.582 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](/N=C/c2cc(Br)ccc2O)[C@H](C)C1 ZINC000734366470 864180298 /nfs/dbraw/zinc/18/02/98/864180298.db2.gz SULDSSUUDZKCMV-ZNIVFJOYSA-N 1 0 383.330 3.711 20 30 GHEDRO C=CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000120713777 881738818 /nfs/dbraw/zinc/73/88/18/881738818.db2.gz ZOKCTEZZIXFCJD-RDJZCZTQSA-N 1 0 390.471 3.584 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000920137711 881751475 /nfs/dbraw/zinc/75/14/75/881751475.db2.gz GGJSQGGGWNQAIY-SFHVURJKSA-N 1 0 394.471 3.796 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000262437041 864333753 /nfs/dbraw/zinc/33/37/53/864333753.db2.gz GOSSDODXOITTHT-INIZCTEOSA-N 1 0 396.516 3.977 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455944847 864521219 /nfs/dbraw/zinc/52/12/19/864521219.db2.gz NCEZAEAZPNNCOR-UHFFFAOYSA-N 1 0 378.904 3.826 20 30 GHEDRO CC1(C[NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)NC2CCCCC2)CCCCCC1 ZINC000262463773 864559545 /nfs/dbraw/zinc/55/95/45/864559545.db2.gz XXQYROCONOJMSG-SFHVURJKSA-N 1 0 397.629 3.650 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735220085 864689663 /nfs/dbraw/zinc/68/96/63/864689663.db2.gz FAJVEDOAYHIROC-FQEVSTJZSA-N 1 0 394.471 3.544 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000475359605 864853390 /nfs/dbraw/zinc/85/33/90/864853390.db2.gz DYVZJKKWCDTELE-UHFFFAOYSA-N 1 0 395.347 3.668 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)C2CCCC2)cc1 ZINC000054256949 864926836 /nfs/dbraw/zinc/92/68/36/864926836.db2.gz PDIFMSIXKKQLBJ-UHFFFAOYSA-N 1 0 380.492 3.787 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CSc4ccccc43)CC2)cc1 ZINC000609817932 864970530 /nfs/dbraw/zinc/97/05/30/864970530.db2.gz VENUTHSFGMSUFB-FQEVSTJZSA-N 1 0 392.528 3.623 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC[C@@H]21 ZINC000154801325 864989870 /nfs/dbraw/zinc/98/98/70/864989870.db2.gz RAVMANCBDBWAKL-REWPJTCUSA-N 1 0 389.499 3.694 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC4(CC3)C[C@@H](O)CCO4)c2)c1 ZINC000897262207 865006671 /nfs/dbraw/zinc/00/66/71/865006671.db2.gz VNMBEVBPZNVDQG-QFIPXVFZSA-N 1 0 392.499 3.643 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000554847621 865016102 /nfs/dbraw/zinc/01/61/02/865016102.db2.gz BBSJHGXIRODKKN-HZPDHXFCSA-N 1 0 385.895 3.788 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2cccc(CC#N)c2)[NH+]2CCCC2)c1 ZINC000455950806 865041062 /nfs/dbraw/zinc/04/10/62/865041062.db2.gz RTPZRMQSVWXKJA-NRFANRHFSA-N 1 0 378.476 3.720 20 30 GHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000120901223 881837271 /nfs/dbraw/zinc/83/72/71/881837271.db2.gz IBTNNNZSWROQLZ-OAQYLSRUSA-N 1 0 379.504 3.553 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000736639115 865254438 /nfs/dbraw/zinc/25/44/38/865254438.db2.gz KEUYZZFHJKWSHG-IBGZPJMESA-N 1 0 397.523 3.769 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CCC(C[NH+]3CCCC3)CC2)c2ccccc21 ZINC000171671670 865325603 /nfs/dbraw/zinc/32/56/03/865325603.db2.gz AKUINUQGLLVQPM-UHFFFAOYSA-N 1 0 378.520 3.545 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)CCc2ccc(Br)cc2)CC1 ZINC000171722288 865344421 /nfs/dbraw/zinc/34/44/21/865344421.db2.gz JVJMAKWHYCACHH-OAHLLOKOSA-N 1 0 394.357 3.720 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCCOc2ccccc2-c2ccccc2)CC1 ZINC000171725967 865345797 /nfs/dbraw/zinc/34/57/97/865345797.db2.gz ZTKFHKCVESNGCR-UHFFFAOYSA-N 1 0 379.504 3.682 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000480848447 865390056 /nfs/dbraw/zinc/39/00/56/865390056.db2.gz WXFDTHBEVOORBJ-IBGZPJMESA-N 1 0 398.551 3.887 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130377 865549118 /nfs/dbraw/zinc/54/91/18/865549118.db2.gz CBYRVDUSJYGWEW-AZUAARDMSA-N 1 0 381.923 3.629 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000594304623 865739255 /nfs/dbraw/zinc/73/92/55/865739255.db2.gz UMOIVSFIKQAVJM-VQTJNVASSA-N 1 0 375.516 3.860 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c1=S ZINC000739874104 865805845 /nfs/dbraw/zinc/80/58/45/865805845.db2.gz AUCNLPAQBGPALM-LJQANCHMSA-N 1 0 397.592 3.951 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)c2ccco2)cc1OC ZINC000174532507 865877107 /nfs/dbraw/zinc/87/71/07/865877107.db2.gz VXPDUZQWCQPWMC-GOSISDBHSA-N 1 0 396.281 3.613 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000174564481 865889418 /nfs/dbraw/zinc/88/94/18/865889418.db2.gz JPSDLAIJGPFOOF-UHFFFAOYSA-N 1 0 377.532 3.913 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CCCN2c3ccccc3OCC2=O)ccc1OC ZINC000174524102 865916461 /nfs/dbraw/zinc/91/64/61/865916461.db2.gz CPXCVABEZVTCLO-UHFFFAOYSA-N 1 0 396.487 3.555 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001142628181 865917944 /nfs/dbraw/zinc/91/79/44/865917944.db2.gz BFBQADLPYHQPFA-RPWUZVMVSA-N 1 0 399.538 3.829 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000481185203 865949595 /nfs/dbraw/zinc/94/95/95/865949595.db2.gz WHSAOAIKQAWSGM-OXJNMPFZSA-N 1 0 396.922 3.650 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000740735773 865975013 /nfs/dbraw/zinc/97/50/13/865975013.db2.gz OSNJKEGIKDZGRN-UHFFFAOYSA-N 1 0 385.305 3.820 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000740737824 865976395 /nfs/dbraw/zinc/97/63/95/865976395.db2.gz KQEBUJHNFAWFRQ-UHFFFAOYSA-N 1 0 385.511 3.907 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000481193383 865979774 /nfs/dbraw/zinc/97/97/74/865979774.db2.gz SPXDTPGOTYFTSC-UNMCSNQZSA-N 1 0 382.529 3.723 20 30 GHEDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001170426423 881927571 /nfs/dbraw/zinc/92/75/71/881927571.db2.gz RXKAWXMGISSZQM-OAQYLSRUSA-N 1 0 391.515 3.862 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CCSC1 ZINC000481203970 866004635 /nfs/dbraw/zinc/00/46/35/866004635.db2.gz MHLDXOZAVBAAKV-NRFANRHFSA-N 1 0 397.569 3.877 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)c2)CC1 ZINC000456037049 866017964 /nfs/dbraw/zinc/01/79/64/866017964.db2.gz BTJSLRUMUQKFIR-UHFFFAOYSA-N 1 0 390.531 3.908 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CC=CCC2)cc1OCC ZINC000475512588 866138359 /nfs/dbraw/zinc/13/83/59/866138359.db2.gz PRUDWYTXKKOARB-UHFFFAOYSA-N 1 0 395.341 3.764 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183151459 866255373 /nfs/dbraw/zinc/25/53/73/866255373.db2.gz TYNNPISQSYOJRO-INIZCTEOSA-N 1 0 376.460 3.791 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)cc1OC ZINC000153280914 866321638 /nfs/dbraw/zinc/32/16/38/866321638.db2.gz UMVLHYDDAOUQOQ-UHFFFAOYSA-N 1 0 394.515 3.963 20 30 GHEDRO N#Cc1ccc(OCCCOC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741319763 866391663 /nfs/dbraw/zinc/39/16/63/866391663.db2.gz OHPZRKBKNBUZOF-OAQYLSRUSA-N 1 0 378.472 3.783 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000303989593 866439926 /nfs/dbraw/zinc/43/99/26/866439926.db2.gz XQKCYCDOMKVATJ-GFCCVEGCSA-N 1 0 391.302 3.548 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC[NH+](C)CC1 ZINC000610027310 866722584 /nfs/dbraw/zinc/72/25/84/866722584.db2.gz AXUDOGAAQCYRJP-HNNXBMFYSA-N 1 0 379.464 3.597 20 30 GHEDRO COC(=O)c1cccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000534468580 866847341 /nfs/dbraw/zinc/84/73/41/866847341.db2.gz DGDASAKLDSBDDC-WIYYLYMNSA-N 1 0 391.515 3.830 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508505438 867057858 /nfs/dbraw/zinc/05/78/58/867057858.db2.gz NNCXZOLIKDCFAG-UHFFFAOYSA-N 1 0 382.556 3.783 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000170638449 882042487 /nfs/dbraw/zinc/04/24/87/882042487.db2.gz WQBCGOVKEUARBQ-INIZCTEOSA-N 1 0 390.524 3.866 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444728225 867107211 /nfs/dbraw/zinc/10/72/11/867107211.db2.gz QZSIYBFBRVFSKS-JPYJTQIMSA-N 1 0 379.504 3.971 20 30 GHEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCC1(C)C ZINC000444780908 867185708 /nfs/dbraw/zinc/18/57/08/867185708.db2.gz NMUCNHXJRQWOFU-IBGZPJMESA-N 1 0 377.492 3.749 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000479225904 867349270 /nfs/dbraw/zinc/34/92/70/867349270.db2.gz MSISKBGWRAAFRE-UHFFFAOYSA-N 1 0 385.533 3.520 20 30 GHEDRO N#CC1(NC(=O)CCOc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479236346 867384804 /nfs/dbraw/zinc/38/48/04/867384804.db2.gz AWFIJHBKRRHLSB-UHFFFAOYSA-N 1 0 397.906 3.783 20 30 GHEDRO Cc1csc([C@H]2CCC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000245520119 867433792 /nfs/dbraw/zinc/43/37/92/867433792.db2.gz JIXMGFRZFXSXMI-HKUYNNGSSA-N 1 0 380.517 3.698 20 30 GHEDRO CCOc1cccc(NC(=S)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000742989281 867713558 /nfs/dbraw/zinc/71/35/58/867713558.db2.gz AAHQEDCVQLHLMU-UHFFFAOYSA-N 1 0 382.533 3.718 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000534912396 867756339 /nfs/dbraw/zinc/75/63/39/867756339.db2.gz KAMHUEKGEDVWEL-UHFFFAOYSA-N 1 0 395.551 3.778 20 30 GHEDRO N#Cc1cnc2c(Br)cccc2c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000440649581 867765941 /nfs/dbraw/zinc/76/59/41/867765941.db2.gz QVKUEWJFINLIFG-HNNXBMFYSA-N 1 0 385.309 3.934 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000743147764 867898837 /nfs/dbraw/zinc/89/88/37/867898837.db2.gz SWIHKXJHPMBZCO-OXJNMPFZSA-N 1 0 383.517 3.965 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000743147763 867898942 /nfs/dbraw/zinc/89/89/42/867898942.db2.gz SWIHKXJHPMBZCO-JXFKEZNVSA-N 1 0 383.517 3.965 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000857233625 882132434 /nfs/dbraw/zinc/13/24/34/882132434.db2.gz FJERDDGOQGBAAJ-MAUKXSAKSA-N 1 0 375.513 3.663 20 30 GHEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000475623939 867906332 /nfs/dbraw/zinc/90/63/32/867906332.db2.gz LEOYKZQGCBHYKS-HNNXBMFYSA-N 1 0 378.476 3.916 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000743203205 867923446 /nfs/dbraw/zinc/92/34/46/867923446.db2.gz ZDWRYYKBGBQCNZ-QFBILLFUSA-N 1 0 381.451 3.795 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000743196187 867945855 /nfs/dbraw/zinc/94/58/55/867945855.db2.gz GBBBWMMWLSUNRW-UHFFFAOYSA-N 1 0 395.478 3.666 20 30 GHEDRO N#CCCn1cc(CN2CC[NH+](Cc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000154489195 867946277 /nfs/dbraw/zinc/94/62/77/867946277.db2.gz HAVCHTWPFDIIJH-UHFFFAOYSA-N 1 0 385.515 3.782 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000743198748 867947354 /nfs/dbraw/zinc/94/73/54/867947354.db2.gz YNEQXAIFCPPOPG-UHFFFAOYSA-N 1 0 381.451 3.755 20 30 GHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H](C)C1 ZINC000553782884 868218291 /nfs/dbraw/zinc/21/82/91/868218291.db2.gz LVHJOZMXQAGFFQ-SQGPQFPESA-N 1 0 393.487 3.533 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000743613453 868303034 /nfs/dbraw/zinc/30/30/34/868303034.db2.gz PVXVTRNQTVGPIJ-WIYYLYMNSA-N 1 0 397.544 3.642 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1OC ZINC000743637276 868328921 /nfs/dbraw/zinc/32/89/21/868328921.db2.gz KYVUFIRHZRPYTK-OWBHPGMISA-N 1 0 386.536 3.996 20 30 GHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H]1[NH+]1CCCC1 ZINC000445607590 868711314 /nfs/dbraw/zinc/71/13/14/868711314.db2.gz LREYJEKAFAENCR-JKSUJKDBSA-N 1 0 390.915 3.915 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1OC ZINC000091949419 882222624 /nfs/dbraw/zinc/22/26/24/882222624.db2.gz FJSKPBMIFXUTMB-SFHVURJKSA-N 1 0 386.536 3.731 20 30 GHEDRO NC(=[NH+]OCc1cn2cc(Cl)ccc2n1)c1ccc(N2CCCCC2)cc1 ZINC000744445710 868847697 /nfs/dbraw/zinc/84/76/97/868847697.db2.gz HXFAFFXMUYZYOX-UHFFFAOYSA-N 1 0 383.883 3.815 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)nc1 ZINC000428782214 868914296 /nfs/dbraw/zinc/91/42/96/868914296.db2.gz GLDXXAOUQGLNHC-JOCHJYFZSA-N 1 0 386.455 3.581 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442892523 868992849 /nfs/dbraw/zinc/99/28/49/868992849.db2.gz VIWRUTMXGDBYCD-KRWDZBQOSA-N 1 0 397.441 3.580 20 30 GHEDRO C#CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)C1CCCCC1 ZINC000744818063 869083742 /nfs/dbraw/zinc/08/37/42/869083742.db2.gz QXHPPJDEKMEBKI-NRFANRHFSA-N 1 0 383.536 3.810 20 30 GHEDRO CO[C@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000524619671 869352793 /nfs/dbraw/zinc/35/27/93/869352793.db2.gz CBCDCSNNQCZYLW-OAHLLOKOSA-N 1 0 377.554 3.963 20 30 GHEDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000524666937 869426538 /nfs/dbraw/zinc/42/65/38/869426538.db2.gz MWGKLWGANLZYGK-IBGZPJMESA-N 1 0 391.515 3.839 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508857110 869541216 /nfs/dbraw/zinc/54/12/16/869541216.db2.gz NDLYRMKYXNACNF-UHFFFAOYSA-N 1 0 389.906 3.988 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](c2ccccc2C)C1)C(C)C ZINC000524778706 869560048 /nfs/dbraw/zinc/56/00/48/869560048.db2.gz PVPBRPDPEFXQJM-VXKWHMMOSA-N 1 0 385.552 3.777 20 30 GHEDRO C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000462545442 869640210 /nfs/dbraw/zinc/64/02/10/869640210.db2.gz PHNMSERVJTUHOB-XMSQKQJNSA-N 1 0 376.504 3.570 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000539728517 869679282 /nfs/dbraw/zinc/67/92/82/869679282.db2.gz ZYSYUYJXJNRVLF-APWZRJJASA-N 1 0 387.549 3.910 20 30 GHEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000595044197 869803162 /nfs/dbraw/zinc/80/31/62/869803162.db2.gz MCOKLZOXBMXJQH-SFTDATJTSA-N 1 0 381.907 3.923 20 30 GHEDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000857565056 882342751 /nfs/dbraw/zinc/34/27/51/882342751.db2.gz IMGQJLTYMRSNMN-LPHOPBHVSA-N 1 0 397.482 3.564 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC(C3CC3)CC2)c1=S ZINC000793631593 882343397 /nfs/dbraw/zinc/34/33/97/882343397.db2.gz PJBVLZVDCOUBME-UHFFFAOYSA-N 1 0 389.613 3.708 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000525022301 869902522 /nfs/dbraw/zinc/90/25/22/869902522.db2.gz SPFGLVNCZBGFGS-VGSWGCGISA-N 1 0 377.488 3.957 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 ZINC000920762687 882366013 /nfs/dbraw/zinc/36/60/13/882366013.db2.gz WLOMMZYAAMDPCX-LJQANCHMSA-N 1 0 398.304 3.966 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cc2)nc1 ZINC000525170539 870110132 /nfs/dbraw/zinc/11/01/32/870110132.db2.gz YHRQMHDUPCNSSU-LJQANCHMSA-N 1 0 390.487 3.694 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)cc1OC ZINC000539977668 870141877 /nfs/dbraw/zinc/14/18/77/870141877.db2.gz POOJHHUYYVHNLD-KGLIPLIRSA-N 1 0 384.314 3.927 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508864307 870267564 /nfs/dbraw/zinc/26/75/64/870267564.db2.gz NNPOIXRZKXKIRK-FQEVSTJZSA-N 1 0 390.535 3.532 20 30 GHEDRO Cc1cc(C)cc(C2=CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC001192291178 870268892 /nfs/dbraw/zinc/26/88/92/870268892.db2.gz BBCCZMAJLJISLS-UHFFFAOYSA-N 1 0 384.479 3.692 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000540043692 870291105 /nfs/dbraw/zinc/29/11/05/870291105.db2.gz GACMUKKEBAMSDI-UHFFFAOYSA-N 1 0 390.531 3.900 20 30 GHEDRO NC(=O)c1ccc(C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C2CC2)cc1 ZINC000446762954 870357505 /nfs/dbraw/zinc/35/75/05/870357505.db2.gz WXUDCICZWFRHDA-UHFFFAOYSA-N 1 0 388.389 3.700 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1OCCCC#N ZINC000248398042 870370789 /nfs/dbraw/zinc/37/07/89/870370789.db2.gz STKZFGKSSMILIA-DENIHFKCSA-N 1 0 393.531 3.988 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c2)CC1 ZINC000793839028 882436805 /nfs/dbraw/zinc/43/68/05/882436805.db2.gz OYKPVEZTFRPBJS-UHFFFAOYSA-N 1 0 376.504 3.882 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C)C(C)C ZINC000447069583 870981852 /nfs/dbraw/zinc/98/18/52/870981852.db2.gz SPENPTRNYGUBPD-FQEVSTJZSA-N 1 0 396.539 3.909 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc(-c2ccc(Br)s2)no1 ZINC000429706755 871060026 /nfs/dbraw/zinc/06/00/26/871060026.db2.gz HHEDFPXEXODQKN-UHFFFAOYSA-N 1 0 385.331 3.500 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H](CC)Cc1ccc3c(c1)OCO3)CCC2 ZINC001170439028 882471802 /nfs/dbraw/zinc/47/18/02/882471802.db2.gz XRORDEDRHRIFBV-SFHVURJKSA-N 1 0 383.492 3.541 20 30 GHEDRO N#Cc1nc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)ccc1C(F)(F)F ZINC001168994444 871074685 /nfs/dbraw/zinc/07/46/85/871074685.db2.gz DQEZUKRVSQUECI-UHFFFAOYSA-N 1 0 379.773 3.856 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000766570382 871112264 /nfs/dbraw/zinc/11/22/64/871112264.db2.gz GDUMVTRZFDAJMB-RBUKOAKNSA-N 1 0 394.515 3.893 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000540365156 871122873 /nfs/dbraw/zinc/12/28/73/871122873.db2.gz DTSLMSKRYGLXNN-XLIONFOSSA-N 1 0 383.467 3.544 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540390203 871148745 /nfs/dbraw/zinc/14/87/45/871148745.db2.gz XQXWGHFNSVJRFQ-QZTJIDSGSA-N 1 0 392.503 3.574 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441220646 871182750 /nfs/dbraw/zinc/18/27/50/871182750.db2.gz AZRSBYIEDBGGLO-OALUTQOASA-N 1 0 398.551 3.779 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000525678266 871218622 /nfs/dbraw/zinc/21/86/22/871218622.db2.gz FGPBWRSZHWOSPM-LJQANCHMSA-N 1 0 378.476 3.692 20 30 GHEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001193663897 871222362 /nfs/dbraw/zinc/22/23/62/871222362.db2.gz VIETZLVETSHPQX-NRFANRHFSA-N 1 0 398.938 3.896 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2)c1 ZINC000463248477 871263032 /nfs/dbraw/zinc/26/30/32/871263032.db2.gz ULZCVHLULMVNES-MFMILTCTSA-N 1 0 386.492 3.991 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(C#N)cc2OC)CC1 ZINC000181635247 871319503 /nfs/dbraw/zinc/31/95/03/871319503.db2.gz LGDGZMFQWNXKFE-QGZVFWFLSA-N 1 0 396.510 3.699 20 30 GHEDRO COc1ccc([C@H](C)C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000540506501 871443469 /nfs/dbraw/zinc/44/34/69/871443469.db2.gz MFXOWWVAXCPWQS-MRXNPFEDSA-N 1 0 392.459 3.741 20 30 GHEDRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)c1cccc(C#N)c1 ZINC001194107305 871481205 /nfs/dbraw/zinc/48/12/05/871481205.db2.gz HVSNPSYRDQZXEN-KRWDZBQOSA-N 1 0 395.322 3.564 20 30 GHEDRO N#Cc1cncc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC001194114958 871484232 /nfs/dbraw/zinc/48/42/32/871484232.db2.gz ZPVGUROWZIBWGE-UHFFFAOYSA-N 1 0 397.482 3.528 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000115567596 882528521 /nfs/dbraw/zinc/52/85/21/882528521.db2.gz AVEAHXVOSDAACG-NJEKYYFSSA-N 1 0 396.579 3.827 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000776985256 882531229 /nfs/dbraw/zinc/53/12/29/882531229.db2.gz BLVPAEBUUARQLL-UHFFFAOYSA-N 1 0 387.527 3.810 20 30 GHEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000463406635 871638168 /nfs/dbraw/zinc/63/81/68/871638168.db2.gz SXICQZVVDLEGSV-OAUYIBNBSA-N 1 0 375.538 3.617 20 30 GHEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001169568808 871643949 /nfs/dbraw/zinc/64/39/49/871643949.db2.gz RLKIYHLFCSRTQU-GCJKJVERSA-N 1 0 378.520 3.631 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000182028110 871755587 /nfs/dbraw/zinc/75/55/87/871755587.db2.gz MNENURNVDAHRBJ-WMLDXEAASA-N 1 0 378.394 3.959 20 30 GHEDRO CC(C)(C)OC(=O)Nc1c(C#N)cc(Br)cc1-n1ccc(C[NH3+])c1 ZINC001169725821 871780901 /nfs/dbraw/zinc/78/09/01/871780901.db2.gz NJTIZHIKTJFBTN-UHFFFAOYSA-N 1 0 391.269 3.917 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccc(C#N)cc1 ZINC000447539033 871807032 /nfs/dbraw/zinc/80/70/32/871807032.db2.gz FHFSMMIWCILMSY-SFHVURJKSA-N 1 0 391.562 3.891 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000776980965 882551513 /nfs/dbraw/zinc/55/15/13/882551513.db2.gz NDDZGGDWGFIVGC-RUZDIDTESA-N 1 0 387.527 3.810 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C#CBr)cc1 ZINC001194826771 871974779 /nfs/dbraw/zinc/97/47/79/871974779.db2.gz ARADUEHXWKBUCD-FQEVSTJZSA-N 1 0 397.316 3.785 20 30 GHEDRO CC(C)([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000191690499 882567163 /nfs/dbraw/zinc/56/71/63/882567163.db2.gz NRTQMLQPKOSUQZ-UHFFFAOYSA-N 1 0 383.414 3.753 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000618797187 872005494 /nfs/dbraw/zinc/00/54/94/872005494.db2.gz FHDIRUATLBPOEX-RTBURBONSA-N 1 0 380.517 3.743 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000618797797 872006817 /nfs/dbraw/zinc/00/68/17/872006817.db2.gz XTFPDYDNQMBGQI-GMAHTHKFSA-N 1 0 390.531 3.798 20 30 GHEDRO C[C@]1(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000618828187 872033247 /nfs/dbraw/zinc/03/32/47/872033247.db2.gz AQYNLXWMFDPQRY-ISKFKSNPSA-N 1 0 388.515 3.899 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](COC)C2)cc1OC ZINC000093337778 872095046 /nfs/dbraw/zinc/09/50/46/872095046.db2.gz MVPJCHIJDLUAFV-CQSZACIVSA-N 1 0 384.314 3.881 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000463589187 872101571 /nfs/dbraw/zinc/10/15/71/872101571.db2.gz GSHOGUSXVKXTAR-IEBWSBKVSA-N 1 0 380.488 3.825 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000552271245 872337530 /nfs/dbraw/zinc/33/75/30/872337530.db2.gz ZBCZLPILEYMZPX-YZGWKJHDSA-N 1 0 381.476 3.648 20 30 GHEDRO COC(=O)/C=C\c1ccc(OCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000767306396 872392306 /nfs/dbraw/zinc/39/23/06/872392306.db2.gz UFKXAMURYHNKBY-JYRVWZFOSA-N 1 0 376.456 3.788 20 30 GHEDRO COc1ccc(Br)cc1C1([NH2+]C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001195423780 872411535 /nfs/dbraw/zinc/41/15/35/872411535.db2.gz FXIJHOBCSVJUEZ-KRWDZBQOSA-N 1 0 387.277 3.642 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1Cl ZINC001195478032 872430489 /nfs/dbraw/zinc/43/04/89/872430489.db2.gz UJAQIMXODSDKTD-NHCUHLMSSA-N 1 0 397.906 3.608 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000921124629 882617348 /nfs/dbraw/zinc/61/73/48/882617348.db2.gz DLVPETQRMCAXQV-HNNXBMFYSA-N 1 0 386.721 3.685 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC001195650893 872558447 /nfs/dbraw/zinc/55/84/47/872558447.db2.gz RTBPTWFSFUJVCS-XTBIFASLSA-N 1 0 375.557 3.729 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(-c4cccs4)on3)CC2)cc1 ZINC000022850768 872640623 /nfs/dbraw/zinc/64/06/23/872640623.db2.gz BEBLUBWYNDUKBQ-UHFFFAOYSA-N 1 0 378.501 3.983 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619499457 872701394 /nfs/dbraw/zinc/70/13/94/872701394.db2.gz UXAVPCXFSJCDBW-MRXNPFEDSA-N 1 0 378.426 3.741 20 30 GHEDRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2 ZINC000182716422 872716801 /nfs/dbraw/zinc/71/68/01/872716801.db2.gz VJCUKGUESMPPRI-UHFFFAOYSA-N 1 0 395.528 3.894 20 30 GHEDRO C[C@H](C#N)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541018733 872767011 /nfs/dbraw/zinc/76/70/11/872767011.db2.gz GVDSNIQZCPKLMF-FRFSOERESA-N 1 0 382.430 3.547 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC1CCC(C#N)CC1 ZINC000619660299 872833429 /nfs/dbraw/zinc/83/34/29/872833429.db2.gz FUUSRTSTFHNTOK-XEVCZEQESA-N 1 0 383.536 4.000 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182845062 872836135 /nfs/dbraw/zinc/83/61/35/872836135.db2.gz XAOUJJMVZZXYEP-INIZCTEOSA-N 1 0 378.398 3.880 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)C[C@H](C)O1 ZINC000619696494 872884955 /nfs/dbraw/zinc/88/49/55/872884955.db2.gz CIDJIPZXGXJHDN-GASCZTMLSA-N 1 0 396.457 3.688 20 30 GHEDRO Cc1cc(F)ccc1NC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001196135457 872892230 /nfs/dbraw/zinc/89/22/30/872892230.db2.gz QBAWUJQMLDNNBI-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000182867032 872901946 /nfs/dbraw/zinc/90/19/46/872901946.db2.gz OQTYBKCWKUQNJJ-QFIPXVFZSA-N 1 0 392.478 3.769 20 30 GHEDRO C#CCN(Cc1cn(C)nc1CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000775696240 872951393 /nfs/dbraw/zinc/95/13/93/872951393.db2.gz ZHOQSUOUBCQWTG-GOSISDBHSA-N 1 0 388.309 3.704 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619756320 872966373 /nfs/dbraw/zinc/96/63/73/872966373.db2.gz KTKHOPZTQOJPTB-UHFFFAOYSA-N 1 0 396.922 3.984 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000527324265 873011118 /nfs/dbraw/zinc/01/11/18/873011118.db2.gz HLLPQBDEJAVQLX-UHFFFAOYSA-N 1 0 391.500 3.952 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000191950886 882679756 /nfs/dbraw/zinc/67/97/56/882679756.db2.gz GADHCPKZEIUYBP-UHFFFAOYSA-N 1 0 383.536 3.634 20 30 GHEDRO Cc1ccc(F)cc1C[NH+]1CCC(NC(=S)Nc2ccccc2C#N)CC1 ZINC001196344547 873045253 /nfs/dbraw/zinc/04/52/53/873045253.db2.gz ZGHCRNVPXGBFHN-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000183003038 873069973 /nfs/dbraw/zinc/06/99/73/873069973.db2.gz MTOQEWYZZUHTKF-CABCVRRESA-N 1 0 391.450 3.869 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC001196479253 873125650 /nfs/dbraw/zinc/12/56/50/873125650.db2.gz LNYVCBWUHDYXLF-LEWJYISDSA-N 1 0 388.895 3.947 20 30 GHEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000494652548 882707234 /nfs/dbraw/zinc/70/72/34/882707234.db2.gz CSLIIJPZDBCSPU-HOCLYGCPSA-N 1 0 389.546 3.713 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000768499435 873339954 /nfs/dbraw/zinc/33/99/54/873339954.db2.gz AIHOEWYPXBUWEU-VQTJNVASSA-N 1 0 397.592 3.949 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3occc3Br)CC2)nc1 ZINC000768665375 873488543 /nfs/dbraw/zinc/48/85/43/873488543.db2.gz ZCIICCRXPOFSOB-UHFFFAOYSA-N 1 0 376.254 3.789 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1OC ZINC000527760200 873534650 /nfs/dbraw/zinc/53/46/50/873534650.db2.gz SAOBWHHIDDMIEZ-ACJLOTCBSA-N 1 0 382.298 3.680 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c(-c2ccccc2)n1 ZINC000527741496 873544580 /nfs/dbraw/zinc/54/45/80/873544580.db2.gz CYGPNJRHTSQDQF-KRWDZBQOSA-N 1 0 388.397 3.553 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H]2CCN2Cc2ccc(OC)cc2)cc(OC)c1O ZINC000527772026 873585381 /nfs/dbraw/zinc/58/53/81/873585381.db2.gz HVODGQDSKBXUMF-HXUWFJFHSA-N 1 0 382.504 3.502 20 30 GHEDRO CC(C)(C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1CCCC1 ZINC000527809226 873594555 /nfs/dbraw/zinc/59/45/55/873594555.db2.gz KQNKSMFHAILWDJ-UHFFFAOYSA-N 1 0 391.515 3.875 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC001197312468 873700832 /nfs/dbraw/zinc/70/08/32/873700832.db2.gz GWTWVYZJTSBBCK-SFHVURJKSA-N 1 0 386.927 3.582 20 30 GHEDRO CCc1cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1C#N ZINC001197293567 873719124 /nfs/dbraw/zinc/71/91/24/873719124.db2.gz GPTDSNVVMHGJDT-YHBQERECSA-N 1 0 386.499 3.905 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000448719836 873850915 /nfs/dbraw/zinc/85/09/15/873850915.db2.gz MPJZSOYGONLVLE-AABGKKOBSA-N 1 0 382.529 3.555 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001197705930 873992449 /nfs/dbraw/zinc/99/24/49/873992449.db2.gz NQYYNGGEBOQNDQ-QFIPXVFZSA-N 1 0 376.529 3.996 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001197707686 873993599 /nfs/dbraw/zinc/99/35/99/873993599.db2.gz ZQEKYSNOCMLRPZ-PMACEKPBSA-N 1 0 376.529 3.709 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001198008583 874160170 /nfs/dbraw/zinc/16/01/70/874160170.db2.gz YYDGEFJTNXVOPO-UHFFFAOYSA-N 1 0 396.560 3.744 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)CCC1 ZINC001198034415 874191273 /nfs/dbraw/zinc/19/12/73/874191273.db2.gz WNQUYEIWRMRIMB-HXUWFJFHSA-N 1 0 375.472 3.801 20 30 GHEDRO CCC[C@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000595773476 874192269 /nfs/dbraw/zinc/19/22/69/874192269.db2.gz MVVQQNOORZCGEG-QFIPXVFZSA-N 1 0 391.515 3.811 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4CCc5cc(F)ccc5C4)C3)CC2=O)c1 ZINC001168438950 874196255 /nfs/dbraw/zinc/19/62/55/874196255.db2.gz PGFSTRVYWJDHJW-ZJSXRUAMSA-N 1 0 389.474 3.684 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775830758 874273593 /nfs/dbraw/zinc/27/35/93/874273593.db2.gz NGSRRDWGHRIDSJ-LJQANCHMSA-N 1 0 378.520 3.967 20 30 GHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494689673 882826031 /nfs/dbraw/zinc/82/60/31/882826031.db2.gz XDEMNGPEWBYCAJ-OAHLLOKOSA-N 1 0 389.546 3.520 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCC(C)(C)C2)c1C#N ZINC000464795206 874523987 /nfs/dbraw/zinc/52/39/87/874523987.db2.gz PFKZBTIVNJOLSK-UHFFFAOYSA-N 1 0 382.483 3.834 20 30 GHEDRO CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000528406196 874529022 /nfs/dbraw/zinc/52/90/22/874529022.db2.gz ACYDDFXRRGNXLG-JOCHJYFZSA-N 1 0 395.478 3.606 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CCOc3cccc(C#N)c3)C[C@@H]1CCCC2 ZINC001198838477 874675435 /nfs/dbraw/zinc/67/54/35/874675435.db2.gz ZSCIIPIJQXRGHN-WMZHIEFXSA-N 1 0 399.535 3.954 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000464899329 874708678 /nfs/dbraw/zinc/70/86/78/874708678.db2.gz SRDVGKFJPPHDCT-LJQANCHMSA-N 1 0 394.515 3.997 20 30 GHEDRO COc1cccc([C@H]2C[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)CC2(C)C)c1 ZINC000528616867 874801350 /nfs/dbraw/zinc/80/13/50/874801350.db2.gz BVAXMUWLYQWPAA-NZQKXSOJSA-N 1 0 394.515 3.627 20 30 GHEDRO Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)n(CC(C)C)n1 ZINC001199092799 874803956 /nfs/dbraw/zinc/80/39/56/874803956.db2.gz AAINNNZPMLUORJ-MEMLXQNLSA-N 1 0 393.535 3.632 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000770687447 874822270 /nfs/dbraw/zinc/82/22/70/874822270.db2.gz RECIASFXPFOFJP-OAQYLSRUSA-N 1 0 398.547 3.744 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000804455043 882868376 /nfs/dbraw/zinc/86/83/76/882868376.db2.gz CAAIIKCLUZJZRI-GGAORHGYSA-N 1 0 378.491 3.789 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1Cl ZINC000609144403 874916171 /nfs/dbraw/zinc/91/61/71/874916171.db2.gz VWUBBEPHYBLEED-ROUUACIJSA-N 1 0 394.906 3.608 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528720361 874958043 /nfs/dbraw/zinc/95/80/43/874958043.db2.gz UHWQNAJXCBXELF-MRXNPFEDSA-N 1 0 380.492 3.851 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccc(Cl)c(F)c3)CCOCC2)cc1 ZINC000528786091 875058816 /nfs/dbraw/zinc/05/88/16/875058816.db2.gz VJGRBPCOFYNAGR-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c(OC)c1 ZINC000192349223 882896679 /nfs/dbraw/zinc/89/66/79/882896679.db2.gz FTNGGEMFNVISBY-FXAWDEMLSA-N 1 0 383.488 3.536 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc(OC)c1O ZINC000449653839 875185452 /nfs/dbraw/zinc/18/54/52/875185452.db2.gz CULNZVCKYBEMRV-HBFSDRIKSA-N 1 0 385.508 3.613 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1OCC(F)(F)F ZINC000528905551 875247620 /nfs/dbraw/zinc/24/76/20/875247620.db2.gz WHASPTDMHPPIAL-MRXNPFEDSA-N 1 0 396.413 3.638 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001199951922 875268822 /nfs/dbraw/zinc/26/88/22/875268822.db2.gz MPTLLQPFPXHCIN-AEFFLSMTSA-N 1 0 386.540 3.749 20 30 GHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(C)c2)c1 ZINC000105391709 875280923 /nfs/dbraw/zinc/28/09/23/875280923.db2.gz LVZSVKZAAODRDF-UHFFFAOYSA-O 1 0 395.460 3.713 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000522061874 882942720 /nfs/dbraw/zinc/94/27/20/882942720.db2.gz BXTGHSZJYMCWID-RXVVDRJESA-N 1 0 379.504 3.886 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000179049982 882948755 /nfs/dbraw/zinc/94/87/55/882948755.db2.gz FELROMRZZKGIBE-NRFANRHFSA-N 1 0 377.488 3.507 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2NC(=O)c2ccsc2)CC1 ZINC000106037812 875712625 /nfs/dbraw/zinc/71/26/25/875712625.db2.gz AUXDKNJZUGFLMD-UHFFFAOYSA-N 1 0 383.517 3.771 20 30 GHEDRO Cc1cc(Br)ccc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000151671326 875774266 /nfs/dbraw/zinc/77/42/66/875774266.db2.gz WWPMOTYMVRCEMH-UHFFFAOYSA-N 1 0 385.309 3.783 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC001201605083 875781472 /nfs/dbraw/zinc/78/14/72/875781472.db2.gz WASGWWXBWWKTST-DEOSSOPVSA-N 1 0 375.516 3.720 20 30 GHEDRO COCc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000529212102 875834849 /nfs/dbraw/zinc/83/48/49/875834849.db2.gz NIQDTEOEOFTESB-VGOFRKELSA-N 1 0 392.503 3.737 20 30 GHEDRO CCCCCCC[NH+]1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001201762859 875847088 /nfs/dbraw/zinc/84/70/88/875847088.db2.gz XUNUVTHZDLVZJW-UHFFFAOYSA-N 1 0 395.588 3.748 20 30 GHEDRO CCCCCCCC[N@@H+]1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001201815125 875873693 /nfs/dbraw/zinc/87/36/93/875873693.db2.gz WHROAXKEUAXQBE-HXUWFJFHSA-N 1 0 380.554 3.543 20 30 GHEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340272 875886754 /nfs/dbraw/zinc/88/67/54/875886754.db2.gz BUCKLZXNNPCPPK-KRWDZBQOSA-N 1 0 395.503 3.617 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000450047653 875889316 /nfs/dbraw/zinc/88/93/16/875889316.db2.gz MPVBIAOCLRGDON-XXBNENTESA-N 1 0 378.516 3.821 20 30 GHEDRO CCCCCCCCC[N@@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001201840283 875899599 /nfs/dbraw/zinc/89/95/99/875899599.db2.gz XVICJGREAJRHCW-BHDDXSALSA-N 1 0 387.568 3.785 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccnc2)C1 ZINC001201840262 875899858 /nfs/dbraw/zinc/89/98/58/875899858.db2.gz XKPHBRBXQQKAQH-FYYLOGMGSA-N 1 0 387.568 3.929 20 30 GHEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000772375857 875925872 /nfs/dbraw/zinc/92/58/72/875925872.db2.gz SJEFLYAZYSYDAT-RBUKOAKNSA-N 1 0 399.535 3.541 20 30 GHEDRO COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000772375853 875925933 /nfs/dbraw/zinc/92/59/33/875925933.db2.gz SJEFLYAZYSYDAT-MOPGFXCFSA-N 1 0 399.535 3.541 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 ZINC000152326982 876008246 /nfs/dbraw/zinc/00/82/46/876008246.db2.gz AVFTVOKTQCZUAG-GCJKJVERSA-N 1 0 390.531 3.767 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000271915343 876027364 /nfs/dbraw/zinc/02/73/64/876027364.db2.gz BXYFZAOJCWFWDO-BBWFWOEESA-N 1 0 395.478 3.798 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)CC1 ZINC000858290569 883004976 /nfs/dbraw/zinc/00/49/76/883004976.db2.gz VXLXEZHEMYRDSO-UHFFFAOYSA-N 1 0 399.535 3.801 20 30 GHEDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000179529643 883006231 /nfs/dbraw/zinc/00/62/31/883006231.db2.gz RCKNPXDGZHGCTJ-UHFFFAOYSA-N 1 0 399.498 3.980 20 30 GHEDRO N#Cc1c(Cl)cccc1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000450324889 876288026 /nfs/dbraw/zinc/28/80/26/876288026.db2.gz ROFJTRKHFJRBLP-QGZVFWFLSA-N 1 0 382.895 3.521 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000450335194 876304695 /nfs/dbraw/zinc/30/46/95/876304695.db2.gz WTLGKHAQICBKBC-CABCVRRESA-N 1 0 377.330 3.807 20 30 GHEDRO C[NH+](C)[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000450445959 876418173 /nfs/dbraw/zinc/41/81/73/876418173.db2.gz KKQXPTNXGYNXSA-HNNXBMFYSA-N 1 0 379.342 3.595 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000609335062 883030337 /nfs/dbraw/zinc/03/03/37/883030337.db2.gz RWWDVSOCXPCNGA-UHFFFAOYSA-N 1 0 384.411 3.604 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)ccc1OC ZINC000850135804 876690524 /nfs/dbraw/zinc/69/05/24/876690524.db2.gz QSSZWYWZYWYBNJ-FPOVZHCZSA-N 1 0 396.487 3.834 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000609348197 883064430 /nfs/dbraw/zinc/06/44/30/883064430.db2.gz NMPHRXXZOOWLPG-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000850384361 876869775 /nfs/dbraw/zinc/86/97/75/876869775.db2.gz SRIFCUZRIMZCFT-IBGZPJMESA-N 1 0 399.535 3.801 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1OC ZINC000152133446 876973218 /nfs/dbraw/zinc/97/32/18/876973218.db2.gz WIKUDTRHKPRHOK-BWAGFHJFSA-N 1 0 393.531 3.986 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450869890 877000903 /nfs/dbraw/zinc/00/09/03/877000903.db2.gz YCBMABKRXLJVLT-XTCWOQMQSA-N 1 0 399.560 3.814 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccc(C)cc1 ZINC000804602136 883092356 /nfs/dbraw/zinc/09/23/56/883092356.db2.gz YWZALTRAFFLGPN-UHFFFAOYSA-O 1 0 380.415 3.683 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000609984609 877249721 /nfs/dbraw/zinc/24/97/21/877249721.db2.gz RQXNLTSYFDYSNM-JOCHJYFZSA-N 1 0 377.488 3.549 20 30 GHEDRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]CCC#N ZINC000787300547 877328140 /nfs/dbraw/zinc/32/81/40/877328140.db2.gz QLLMHRJEDFYPKH-AWEZNQCLSA-N 1 0 385.489 3.812 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451096140 877328233 /nfs/dbraw/zinc/32/82/33/877328233.db2.gz AMWXVABGHPJNJV-INIZCTEOSA-N 1 0 396.447 3.591 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCOC2)O1 ZINC000530281185 877439693 /nfs/dbraw/zinc/43/96/93/877439693.db2.gz BHKBBZKVRDLIID-UPVQGACJSA-N 1 0 392.499 3.907 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)CC(C)(C)CC#N)CCCC1)c1ccccc1 ZINC000451193070 877558163 /nfs/dbraw/zinc/55/81/63/877558163.db2.gz XCQQXYWEBXLHTH-KRWDZBQOSA-N 1 0 377.554 3.509 20 30 GHEDRO C[C@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336590 877572958 /nfs/dbraw/zinc/57/29/58/877572958.db2.gz WYWNBYRCLPIKFR-ZBEGNZNMSA-N 1 0 394.288 3.580 20 30 GHEDRO CCC1([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCCC1 ZINC000451274454 877693529 /nfs/dbraw/zinc/69/35/29/877693529.db2.gz JQSJNYOKLCUCLG-QGZVFWFLSA-N 1 0 398.551 3.668 20 30 GHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460544579 877770844 /nfs/dbraw/zinc/77/08/44/877770844.db2.gz FKXUCVDOGZMATM-OAQYLSRUSA-N 1 0 379.552 3.702 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N=Nc3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000788028552 877789931 /nfs/dbraw/zinc/78/99/31/877789931.db2.gz ZPHRUKWQDANUHC-UHFFFAOYSA-N 1 0 389.488 3.536 20 30 GHEDRO CC1(C(=O)OCCOc2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000772711837 877823845 /nfs/dbraw/zinc/82/38/45/877823845.db2.gz NCTIFMBMGSNXMN-UHFFFAOYSA-N 1 0 378.472 3.783 20 30 GHEDRO C=CCCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000175718059 877863736 /nfs/dbraw/zinc/86/37/36/877863736.db2.gz VEZNQFBSBDSDHA-UHFFFAOYSA-N 1 0 395.341 3.765 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000615558397 877876991 /nfs/dbraw/zinc/87/69/91/877876991.db2.gz CDPSWDJXKXVXQD-UHFFFAOYSA-N 1 0 399.539 3.884 20 30 GHEDRO N#C[C@@H](CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)c1c(Cl)cccc1Cl ZINC001183106472 912289205 /nfs/dbraw/zinc/28/92/05/912289205.db2.gz NXXKUUOPANQBSK-OAHLLOKOSA-N 1 0 392.330 3.935 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)cc1C#N ZINC000746733871 877924586 /nfs/dbraw/zinc/92/45/86/877924586.db2.gz KJZWRZFQYGRYRS-UHFFFAOYSA-N 1 0 389.455 3.839 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451420020 877948471 /nfs/dbraw/zinc/94/84/71/877948471.db2.gz OJXAHKIRTYAEGM-VXSCBNMQSA-N 1 0 383.536 3.564 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1Cl ZINC000451427400 877960193 /nfs/dbraw/zinc/96/01/93/877960193.db2.gz VRJPZJSVVGFQAM-DFQSSKMNSA-N 1 0 389.927 3.521 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000451477673 877991320 /nfs/dbraw/zinc/99/13/20/877991320.db2.gz IDSRZYWOMVQDOA-AYOQOUSVSA-N 1 0 387.549 3.814 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000175983440 878024215 /nfs/dbraw/zinc/02/42/15/878024215.db2.gz XHYFABZRIBAUNE-UHFFFAOYSA-N 1 0 381.442 3.619 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1onc(C)c1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183147481 912303840 /nfs/dbraw/zinc/30/38/40/912303840.db2.gz CGONIZXXTGUYEC-HNNXBMFYSA-N 1 0 384.480 3.535 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)cc1 ZINC000451498804 878049035 /nfs/dbraw/zinc/04/90/35/878049035.db2.gz NUAOKDJZTKTGNM-UXHICEINSA-N 1 0 387.524 3.514 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544314 878115896 /nfs/dbraw/zinc/11/58/96/878115896.db2.gz DTPUOOGDVFTSAI-SFHVURJKSA-N 1 0 378.432 3.675 20 30 GHEDRO C#CCCC1(CCNC(=O)CCC[N@@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)N=N1 ZINC001183154206 912314230 /nfs/dbraw/zinc/31/42/30/912314230.db2.gz XKXUTOXBAASLAX-IBGZPJMESA-N 1 0 398.551 3.810 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000180001055 878348468 /nfs/dbraw/zinc/34/84/68/878348468.db2.gz NHAONHKEECTSJY-UHFFFAOYSA-N 1 0 380.463 3.576 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2ccnc(C#N)c2)C1 ZINC000852488181 878370515 /nfs/dbraw/zinc/37/05/15/878370515.db2.gz WICBKRADYDSELK-NHCUHLMSSA-N 1 0 392.503 3.836 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1ccccc1 ZINC000180049391 878396714 /nfs/dbraw/zinc/39/67/14/878396714.db2.gz FZNWFZZYSSGEGD-SFHVURJKSA-N 1 0 396.882 3.551 20 30 GHEDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000746771611 878418720 /nfs/dbraw/zinc/41/87/20/878418720.db2.gz FFDBNQOWZSVFBF-OXQOHEQNSA-N 1 0 398.532 3.511 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000180041822 878421644 /nfs/dbraw/zinc/42/16/44/878421644.db2.gz KAAKEGPAAILINF-JOCHJYFZSA-N 1 0 391.515 3.727 20 30 GHEDRO C=CCC1([NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCCC1 ZINC000852588558 878443836 /nfs/dbraw/zinc/44/38/36/878443836.db2.gz UQGLQJUJFFKUMF-UHFFFAOYSA-N 1 0 375.538 3.533 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H](CO)CC(C)(C)C ZINC000451779620 878466920 /nfs/dbraw/zinc/46/69/20/878466920.db2.gz LXVWVDCQBHQRLV-AWEZNQCLSA-N 1 0 377.554 3.556 20 30 GHEDRO CCCCCCCCCC[NH+]1CC2(C1)COCC(=O)N2CCC(F)(F)F ZINC001275119507 912357224 /nfs/dbraw/zinc/35/72/24/912357224.db2.gz UIDXSTCSDREGMO-UHFFFAOYSA-N 1 0 378.479 3.993 20 30 GHEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460772460 878537285 /nfs/dbraw/zinc/53/72/85/878537285.db2.gz ZKVAJAISVVDFDQ-SFTDATJTSA-N 1 0 395.551 3.631 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460780889 878552481 /nfs/dbraw/zinc/55/24/81/878552481.db2.gz ICPDKUVBBYIZEC-TZIWHRDSSA-N 1 0 381.568 3.920 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852731982 878562384 /nfs/dbraw/zinc/56/23/84/878562384.db2.gz OVYFNUJFTMCKNK-PNHOKKKMSA-N 1 0 385.895 3.886 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000177244254 878616844 /nfs/dbraw/zinc/61/68/44/878616844.db2.gz NIRQGIXBHLPOBW-UHFFFAOYSA-N 1 0 386.536 3.716 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000597289662 878832876 /nfs/dbraw/zinc/83/28/76/878832876.db2.gz DAPHPMVQTDNASJ-SGTLLEGYSA-N 1 0 375.444 3.711 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452063334 878890290 /nfs/dbraw/zinc/89/02/90/878890290.db2.gz WFZHHHQRFQGHPN-INIZCTEOSA-N 1 0 375.519 3.503 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000538126204 878900888 /nfs/dbraw/zinc/90/08/88/878900888.db2.gz WAUSWAIMJZPACZ-GOSISDBHSA-N 1 0 392.503 3.654 20 30 GHEDRO Cc1cc(N2CCN(C(=O)C3(c4ccccc4C#N)CC3)CC2)c2ccccc2[nH+]1 ZINC001183290402 912397157 /nfs/dbraw/zinc/39/71/57/912397157.db2.gz KGVDXAAUEDYGEP-UHFFFAOYSA-N 1 0 396.494 3.795 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c(C#N)c1C ZINC000452057927 878918009 /nfs/dbraw/zinc/91/80/09/878918009.db2.gz HNDHUTKGTNFYPL-KRWDZBQOSA-N 1 0 389.546 3.730 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001183292813 912400729 /nfs/dbraw/zinc/40/07/29/912400729.db2.gz HJWRGGJZUOLJAH-PKTZIBPZSA-N 1 0 399.538 3.960 20 30 GHEDRO N#CC1(c2ccc(C(=O)N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)CC1 ZINC000285730037 912408346 /nfs/dbraw/zinc/40/83/46/912408346.db2.gz IWEQLFTVFDGSFU-DEOSSOPVSA-N 1 0 385.511 3.980 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NC2CCOCC2)cc1 ZINC000068866543 879104818 /nfs/dbraw/zinc/10/48/18/879104818.db2.gz ZMPQZBZISFKOOP-UHFFFAOYSA-O 1 0 383.537 3.634 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564378756 879364954 /nfs/dbraw/zinc/36/49/54/879364954.db2.gz RLFCOCMWZPPPDS-GOSISDBHSA-N 1 0 388.519 3.661 20 30 GHEDRO C#CC[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccccc1 ZINC000853911972 879367406 /nfs/dbraw/zinc/36/74/06/879367406.db2.gz WRFGGSYRVAFIED-DHIUTWEWSA-N 1 0 375.516 3.709 20 30 GHEDRO CON=Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000746865978 879371127 /nfs/dbraw/zinc/37/11/27/879371127.db2.gz NJMRSDLBYVHIBF-XMMPIXPASA-N 1 0 391.515 3.795 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000139254907 879477731 /nfs/dbraw/zinc/47/77/31/879477731.db2.gz AVOPYVURQJLDGN-UHFFFAOYSA-N 1 0 378.476 3.842 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000617214886 879485678 /nfs/dbraw/zinc/48/56/78/879485678.db2.gz LYDCQBMTLPJVIA-CQSZACIVSA-N 1 0 379.298 3.876 20 30 GHEDRO CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000854087182 879513292 /nfs/dbraw/zinc/51/32/92/879513292.db2.gz CXJMRSWTKVYOSK-UHFFFAOYSA-N 1 0 378.407 3.552 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000152676398 879565304 /nfs/dbraw/zinc/56/53/04/879565304.db2.gz FUERJWFHTDDGMW-LAUBAEHRSA-N 1 0 380.488 3.881 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](c3ccccc3)C3CCOCC3)C2=O)cc1 ZINC000790325881 879598308 /nfs/dbraw/zinc/59/83/08/879598308.db2.gz YJJONZSLCKSFLI-GOTSBHOMSA-N 1 0 389.499 3.811 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](c3ccccc3)C3CCOCC3)C2=O)cc1 ZINC000790325883 879598622 /nfs/dbraw/zinc/59/86/22/879598622.db2.gz YJJONZSLCKSFLI-PKTZIBPZSA-N 1 0 389.499 3.811 20 30 GHEDRO N#Cc1cccc(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000531390139 879765045 /nfs/dbraw/zinc/76/50/45/879765045.db2.gz YTTNTTGJHHAIOU-OAQYLSRUSA-N 1 0 381.907 3.925 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)c(F)c1 ZINC000776739742 879847729 /nfs/dbraw/zinc/84/77/29/879847729.db2.gz CPGYRBKZGFRBFG-DIFFPNOSSA-N 1 0 376.815 3.506 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000531442748 879862035 /nfs/dbraw/zinc/86/20/35/879862035.db2.gz ZFEVITZONOCRGT-GMAHTHKFSA-N 1 0 388.515 3.905 20 30 GHEDRO C=CC[C@]1(C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CCCN1C(=O)OC(C)(C)C ZINC000790697989 879933663 /nfs/dbraw/zinc/93/36/63/879933663.db2.gz LTHGZOLPENYYCL-PGRDOPGGSA-N 1 0 393.572 3.523 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000790770447 879959338 /nfs/dbraw/zinc/95/93/38/879959338.db2.gz BUTXHNBDIHUSLI-SFHVURJKSA-N 1 0 386.492 3.607 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c(Br)c1 ZINC000475680819 880096656 /nfs/dbraw/zinc/09/66/56/880096656.db2.gz RPVPRVORMASTGJ-HXUWFJFHSA-N 1 0 385.305 3.890 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C\c3ccc(Cl)cc3)CC2)cc1 ZINC000790940128 880116800 /nfs/dbraw/zinc/11/68/00/880116800.db2.gz IXVMSKSXSUVWEI-FLIBITNWSA-N 1 0 379.891 3.959 20 30 GHEDRO COc1cc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)ccc1C#N ZINC000854888872 880120150 /nfs/dbraw/zinc/12/01/50/880120150.db2.gz YPNZJMBETCGELQ-UHFFFAOYSA-N 1 0 399.878 3.946 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000609185944 880381697 /nfs/dbraw/zinc/38/16/97/880381697.db2.gz ZXMKVBNZQLHCRQ-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)ccc1OC ZINC000113211769 880409887 /nfs/dbraw/zinc/40/98/87/880409887.db2.gz UNSIHGFQFMATJO-RXVVDRJESA-N 1 0 387.524 3.503 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000855308005 880428051 /nfs/dbraw/zinc/42/80/51/880428051.db2.gz UEWJEVBSIYRJLJ-FYYLOGMGSA-N 1 0 376.504 3.548 20 30 GHEDRO C=C(C)[C@@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)c1ccc(F)c(F)c1 ZINC000185483814 880593637 /nfs/dbraw/zinc/59/36/37/880593637.db2.gz MJOXGUAOCNJHDO-HXUWFJFHSA-N 1 0 395.494 3.771 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)OCCO2 ZINC000531970091 880847234 /nfs/dbraw/zinc/84/72/34/880847234.db2.gz JLWHBXSYAMMELZ-YJBOKZPZSA-N 1 0 381.451 3.788 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000453415583 880881168 /nfs/dbraw/zinc/88/11/68/880881168.db2.gz SDPZHUUDGROUNP-ZCNNSNEGSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453440450 880902437 /nfs/dbraw/zinc/90/24/37/880902437.db2.gz MZBIVCVVRLWQAG-XXBNENTESA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000453425463 880924210 /nfs/dbraw/zinc/92/42/10/880924210.db2.gz MSZKJBNZLDJCFY-SVFBPWRDSA-N 1 0 395.551 3.520 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000453433920 880940478 /nfs/dbraw/zinc/94/04/78/880940478.db2.gz DUTZTWSRAKEGBE-AABGKKOBSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000453462512 880962679 /nfs/dbraw/zinc/96/26/79/880962679.db2.gz HCFSEQUNNRKGIJ-HSALFYBXSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453470659 880980970 /nfs/dbraw/zinc/98/09/70/880980970.db2.gz QTDDSMHVRIGVSG-HSZRJFAPSA-N 1 0 395.551 3.510 20 30 GHEDRO C=C(C)Cn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453472507 880987098 /nfs/dbraw/zinc/98/70/98/880987098.db2.gz XVFREUZTHMZHJF-NZQKXSOJSA-N 1 0 395.551 3.591 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453472402 880988169 /nfs/dbraw/zinc/98/81/69/880988169.db2.gz XBJSYVHJVMANAV-XXBNENTESA-N 1 0 395.551 3.591 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000113972860 881020289 /nfs/dbraw/zinc/02/02/89/881020289.db2.gz DYOVCPQYCRGAQD-NRFANRHFSA-N 1 0 398.551 3.821 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3c(F)cccc3Cl)CC2)C1=O ZINC001275206080 912633635 /nfs/dbraw/zinc/63/36/35/912633635.db2.gz CITFQOQHXDYQGU-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000114017016 881057090 /nfs/dbraw/zinc/05/70/90/881057090.db2.gz CHBOAOZZPCGGTL-TZIWHRDSSA-N 1 0 398.482 3.609 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)CC1 ZINC000856261072 881074708 /nfs/dbraw/zinc/07/47/08/881074708.db2.gz ZPTGIFDRLOVCAC-NRFANRHFSA-N 1 0 392.465 3.974 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000120118918 881269930 /nfs/dbraw/zinc/26/99/30/881269930.db2.gz BLMSPOXUHAFRRQ-OAQYLSRUSA-N 1 0 388.515 3.821 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609385574 883132629 /nfs/dbraw/zinc/13/26/29/883132629.db2.gz BJTGLZKMOGIUOV-JKSUJKDBSA-N 1 0 388.581 3.678 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc(OCC#N)cc1 ZINC000858489753 883140151 /nfs/dbraw/zinc/14/01/51/883140151.db2.gz KYYCNJYBBQDNNO-IIBYNOLFSA-N 1 0 385.895 3.798 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000135117724 883215395 /nfs/dbraw/zinc/21/53/95/883215395.db2.gz DMZGVKYGGAKRTI-UHFFFAOYSA-N 1 0 379.479 3.975 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000476807434 883217995 /nfs/dbraw/zinc/21/79/95/883217995.db2.gz QJQVINYRNBQZDI-VQTJNVASSA-N 1 0 397.563 3.810 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCCCC1 ZINC000609496825 883261328 /nfs/dbraw/zinc/26/13/28/883261328.db2.gz IVIKGBOISIOCBB-UHFFFAOYSA-N 1 0 378.476 3.740 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609529987 883319767 /nfs/dbraw/zinc/31/97/67/883319767.db2.gz ASZBXJDXRXIBKK-NQIIRXRSSA-N 1 0 382.552 3.544 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000609570830 883354848 /nfs/dbraw/zinc/35/48/48/883354848.db2.gz PJDQCZDJPUNPLN-UHFFFAOYSA-N 1 0 379.414 3.856 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000804863913 883404833 /nfs/dbraw/zinc/40/48/33/883404833.db2.gz CLMUTIQIRRNGCI-HSZRJFAPSA-N 1 0 375.516 3.716 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000804869446 883408808 /nfs/dbraw/zinc/40/88/08/883408808.db2.gz QFBQLDHYCXLYDW-UHFFFAOYSA-N 1 0 378.394 3.630 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609610296 883422077 /nfs/dbraw/zinc/42/20/77/883422077.db2.gz TZSNVYUPINMLEA-RTBURBONSA-N 1 0 378.520 3.891 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609639951 883466480 /nfs/dbraw/zinc/46/64/80/883466480.db2.gz IHRSBHLVZJHEBG-QFIPXVFZSA-N 1 0 376.504 3.927 20 30 GHEDRO N#Cc1ccc(N2CC[C@H](Nc3ccc(CC[NH+]4CCCCC4)cc3)C2=O)cc1 ZINC000609633556 883489564 /nfs/dbraw/zinc/48/95/64/883489564.db2.gz CQVOIDXTSIJQJO-QHCPKHFHSA-N 1 0 388.515 3.804 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@@H](COc3ccccc3F)c3ccccc3)cnc12 ZINC000551241393 883532861 /nfs/dbraw/zinc/53/28/61/883532861.db2.gz KRQAEUPVDYHRTM-FQEVSTJZSA-N 1 0 387.418 3.650 20 30 GHEDRO CC#CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000551259497 883552719 /nfs/dbraw/zinc/55/27/19/883552719.db2.gz PGXUKRFMBUUBJW-OAHLLOKOSA-N 1 0 375.822 3.588 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000477024662 883586601 /nfs/dbraw/zinc/58/66/01/883586601.db2.gz LEFGLZKTJOFQDJ-OAQYLSRUSA-N 1 0 379.504 3.673 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)CC2(O)CCCC2)c1C#N ZINC000152363748 883745819 /nfs/dbraw/zinc/74/58/19/883745819.db2.gz BSFKDBVQJGPGMD-UHFFFAOYSA-N 1 0 386.540 3.657 20 30 GHEDRO COCCOc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000064613972 883754515 /nfs/dbraw/zinc/75/45/15/883754515.db2.gz YDJMDRYYMHWIMC-UHFFFAOYSA-N 1 0 384.476 3.693 20 30 GHEDRO N#Cc1ccc(CCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000598396970 883755238 /nfs/dbraw/zinc/75/52/38/883755238.db2.gz QQSJPTYKPSECNW-QHCPKHFHSA-N 1 0 387.527 3.909 20 30 GHEDRO COCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000026447367 884190463 /nfs/dbraw/zinc/19/04/63/884190463.db2.gz STESMDUTJSFDIO-UHFFFAOYSA-N 1 0 375.538 3.718 20 30 GHEDRO CC(C)(C#N)CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000859954822 884204585 /nfs/dbraw/zinc/20/45/85/884204585.db2.gz PGERGGSDYZICFE-LEWJYISDSA-N 1 0 377.488 3.780 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000761772022 884207233 /nfs/dbraw/zinc/20/72/33/884207233.db2.gz HIFQXQVTYIGFTM-IBGZPJMESA-N 1 0 388.511 3.625 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)OCCO2 ZINC000102691045 884274280 /nfs/dbraw/zinc/27/42/80/884274280.db2.gz JBNOOWHLEHHCDI-NRFANRHFSA-N 1 0 399.878 3.908 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000556278677 884338655 /nfs/dbraw/zinc/33/86/55/884338655.db2.gz RPJOXYPTOJQMDW-XMSQKQJNSA-N 1 0 390.531 3.749 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc1OC ZINC000025383014 884351326 /nfs/dbraw/zinc/35/13/26/884351326.db2.gz WARDQYOZSYOKIH-FQEVSTJZSA-N 1 0 382.504 3.855 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@]4(CCOC4)C3)sc2C1 ZINC000556312121 884424262 /nfs/dbraw/zinc/42/42/62/884424262.db2.gz HRYRTQPKSYOPAQ-YCRPNKLZSA-N 1 0 387.549 3.576 20 30 GHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(c3nc4cc(Cl)ccn4c3C#N)C1)CCCC2 ZINC000286693800 912856679 /nfs/dbraw/zinc/85/66/79/912856679.db2.gz NZXGPNLPQDIPEC-HNNXBMFYSA-N 1 0 380.883 3.695 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H]1C ZINC000498550420 884803835 /nfs/dbraw/zinc/80/38/35/884803835.db2.gz PGFAKYIHRZZESN-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCCC)c(OC)c2)CC1 ZINC000106260813 885020834 /nfs/dbraw/zinc/02/08/34/885020834.db2.gz ICUJRYQBRQZNNF-QGZVFWFLSA-N 1 0 389.540 3.885 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CC1 ZINC000106268425 885022851 /nfs/dbraw/zinc/02/28/51/885022851.db2.gz DILWHMHXVZFOPV-UHFFFAOYSA-N 1 0 398.482 3.853 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC(=O)Nc1sccc1C#N ZINC000103475076 885023916 /nfs/dbraw/zinc/02/39/16/885023916.db2.gz GYODTTDRMGBVJG-UHFFFAOYSA-N 1 0 393.516 3.903 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460369746 885034702 /nfs/dbraw/zinc/03/47/02/885034702.db2.gz NIKDSXGXBKRISV-HXUWFJFHSA-N 1 0 395.551 3.669 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CCO)C(C)(C)C)cc1OC ZINC000556478323 885086186 /nfs/dbraw/zinc/08/61/86/885086186.db2.gz LFTOBARUDZYNTE-INIZCTEOSA-N 1 0 386.330 3.909 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000532419462 885094167 /nfs/dbraw/zinc/09/41/67/885094167.db2.gz WYTZZHQBJLJNIK-UHFFFAOYSA-N 1 0 378.398 3.797 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000807253911 885328487 /nfs/dbraw/zinc/32/84/87/885328487.db2.gz LTLMRSWKMQPMRF-UHFFFAOYSA-N 1 0 391.515 3.505 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000807467856 885461836 /nfs/dbraw/zinc/46/18/36/885461836.db2.gz IPNUWRVCQIAXJW-OAQYLSRUSA-N 1 0 381.495 3.534 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000807468992 885463511 /nfs/dbraw/zinc/46/35/11/885463511.db2.gz DPYUDDZJSKTMTF-HSZRJFAPSA-N 1 0 389.543 3.927 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000807468993 885463812 /nfs/dbraw/zinc/46/38/12/885463812.db2.gz DPYUDDZJSKTMTF-QHCPKHFHSA-N 1 0 389.543 3.927 20 30 GHEDRO Cn1cc(NC(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)c(C#N)n1 ZINC001183983845 912942174 /nfs/dbraw/zinc/94/21/74/912942174.db2.gz WETUNZNDSQRTDN-UHFFFAOYSA-N 1 0 387.487 3.713 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)cs1 ZINC000194912261 885671249 /nfs/dbraw/zinc/67/12/49/885671249.db2.gz IHOUZANXWROLLQ-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171046136 885696880 /nfs/dbraw/zinc/69/68/80/885696880.db2.gz SWUJQTUZXABPNX-UHFFFAOYSA-N 1 0 391.519 3.538 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000171056503 885700595 /nfs/dbraw/zinc/70/05/95/885700595.db2.gz JIWSMQVBIWVCQD-UHFFFAOYSA-N 1 0 394.519 3.619 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000495454656 885815562 /nfs/dbraw/zinc/81/55/62/885815562.db2.gz KPCSMZHBKJFAJF-OALUTQOASA-N 1 0 375.561 3.815 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)C1=O ZINC001275288212 912991368 /nfs/dbraw/zinc/99/13/68/912991368.db2.gz WPGAZXMACPHFEN-IBGZPJMESA-N 1 0 381.303 3.911 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858515 885958502 /nfs/dbraw/zinc/95/85/02/885958502.db2.gz VBRBSYZHXTWNDS-JTHBVZDNSA-N 1 0 386.580 3.599 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001127507680 885966196 /nfs/dbraw/zinc/96/61/96/885966196.db2.gz MOCLDWNCSNLFTC-RJGXRXQPSA-N 1 0 382.548 3.728 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1=S ZINC000808191432 886086622 /nfs/dbraw/zinc/08/66/22/886086622.db2.gz MGRAUDSSASTQIE-HOTGVXAUSA-N 1 0 389.594 3.845 20 30 GHEDRO Cc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)ccc1C#N ZINC000487928377 886093572 /nfs/dbraw/zinc/09/35/72/886093572.db2.gz IWKJEQJYJWMSFN-QGZVFWFLSA-N 1 0 378.394 3.757 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000780677623 886133015 /nfs/dbraw/zinc/13/30/15/886133015.db2.gz LSOIZXYEOJRBEI-ZHALLVOQSA-N 1 0 378.476 3.934 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)c(OC)c1 ZINC000808202855 886134930 /nfs/dbraw/zinc/13/49/30/886134930.db2.gz WGDFJHBWBHJWAN-YOEHRIQHSA-N 1 0 376.497 3.617 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000808287029 886191526 /nfs/dbraw/zinc/19/15/26/886191526.db2.gz HVKYWKTWVFXGKX-WBAXXEDZSA-N 1 0 379.907 3.819 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000808426724 886314578 /nfs/dbraw/zinc/31/45/78/886314578.db2.gz VSQAPDVTZSGXSE-LJQANCHMSA-N 1 0 377.410 3.878 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)cc1C#N ZINC000808398475 886327134 /nfs/dbraw/zinc/32/71/34/886327134.db2.gz DHQQQCCOSORGCN-UHFFFAOYSA-N 1 0 392.402 3.518 20 30 GHEDRO N#Cc1ncc(C(F)(F)F)cc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000556852189 886357806 /nfs/dbraw/zinc/35/78/06/886357806.db2.gz WVNLNUOVZLCFIU-KRWDZBQOSA-N 1 0 390.409 3.675 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000056758275 886367397 /nfs/dbraw/zinc/36/73/97/886367397.db2.gz WLUVKJKTUCNFSR-RBUKOAKNSA-N 1 0 398.551 3.743 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000249773151 913036836 /nfs/dbraw/zinc/03/68/36/913036836.db2.gz UJQHKWAMOXREOO-HXUWFJFHSA-N 1 0 389.421 3.823 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000155095450 886390778 /nfs/dbraw/zinc/39/07/78/886390778.db2.gz RVOLYWAIECDNMI-CPJSRVTESA-N 1 0 388.559 3.633 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(-c4ccccc4)n[nH]3)C2)c(F)c1 ZINC000532615347 886499944 /nfs/dbraw/zinc/49/99/44/886499944.db2.gz JITPHRHIGMVEJQ-SFHVURJKSA-N 1 0 375.451 3.846 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000808616148 886559147 /nfs/dbraw/zinc/55/91/47/886559147.db2.gz UOIGZEKUZHXYIL-QKWZMAAQSA-N 1 0 377.488 3.801 20 30 GHEDRO CCC1(CNc2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)COC1 ZINC001168328489 886732366 /nfs/dbraw/zinc/73/23/66/886732366.db2.gz RVIRXMKLYBHADN-UHFFFAOYSA-N 1 0 390.531 3.977 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000236608787 886872060 /nfs/dbraw/zinc/87/20/60/886872060.db2.gz JDPHYPKGHILIIJ-UHFFFAOYSA-N 1 0 389.293 3.534 20 30 GHEDRO CN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287094751 913096253 /nfs/dbraw/zinc/09/62/53/913096253.db2.gz ISXHNRGZNGKBNU-YIONKMFJSA-N 1 0 382.386 3.546 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)ccc1OC ZINC000237328575 886934162 /nfs/dbraw/zinc/93/41/62/886934162.db2.gz SLYBBZVCYAMTGD-QZTJIDSGSA-N 1 0 376.541 3.628 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000272276058 887054864 /nfs/dbraw/zinc/05/48/64/887054864.db2.gz OAGXTCJVPSHHQE-HNNXBMFYSA-N 1 0 379.460 3.571 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001184308753 913119029 /nfs/dbraw/zinc/11/90/29/913119029.db2.gz WKWVRNOAIHGSSP-UHFFFAOYSA-N 1 0 378.557 3.637 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000111847445 887532875 /nfs/dbraw/zinc/53/28/75/887532875.db2.gz KWNHZYGSDHTBFD-UHFFFAOYSA-N 1 0 398.551 3.669 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459357312 887657268 /nfs/dbraw/zinc/65/72/68/887657268.db2.gz ZSOWQRIUMOUANR-UHFFFAOYSA-N 1 0 376.407 3.754 20 30 GHEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000794689026 887823965 /nfs/dbraw/zinc/82/39/65/887823965.db2.gz NKWQANMEVRMCBP-IMRHEYAYSA-N 1 0 385.467 3.950 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Cc1c(F)cccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000575943690 887880501 /nfs/dbraw/zinc/88/05/01/887880501.db2.gz MXESCJLCEZQZQD-SFHVURJKSA-N 1 0 393.384 3.678 20 30 GHEDRO Clc1nc2ccccn2c1C=NOC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000809997424 888053981 /nfs/dbraw/zinc/05/39/81/888053981.db2.gz YCPVFPPWTJXLMN-SFHVURJKSA-N 1 0 398.894 3.629 20 30 GHEDRO N#Cc1c[nH]c2cc(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)ccc12 ZINC000864933036 888083876 /nfs/dbraw/zinc/08/38/76/888083876.db2.gz NCKYRVDGBDLQIU-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO CC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCOC(C)(C)C1 ZINC000810042779 888089315 /nfs/dbraw/zinc/08/93/15/888089315.db2.gz JIIJSNABGUBHMD-IRXDYDNUSA-N 1 0 378.476 3.503 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)c(C#N)c1C ZINC000810127806 888190738 /nfs/dbraw/zinc/19/07/38/888190738.db2.gz GPEQDANCPBCLJP-OAHLLOKOSA-N 1 0 394.475 3.574 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000810151596 888241076 /nfs/dbraw/zinc/24/10/76/888241076.db2.gz CZVVBLQMDADJKX-SFHVURJKSA-N 1 0 382.895 3.588 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000810225722 888301121 /nfs/dbraw/zinc/30/11/21/888301121.db2.gz KWNAZSZPJKWVFL-OXBTWTFQSA-N 1 0 397.425 3.809 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000763225578 888371498 /nfs/dbraw/zinc/37/14/98/888371498.db2.gz AMNSGYQIDFDZHF-UHFFFAOYSA-N 1 0 384.549 3.749 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C2CC2)cc1 ZINC000171284870 888455001 /nfs/dbraw/zinc/45/50/01/888455001.db2.gz ZVCCSKZEKHBNRX-FQEVSTJZSA-N 1 0 378.476 3.662 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000503430707 888465709 /nfs/dbraw/zinc/46/57/09/888465709.db2.gz HNGFYOSBEYXIBY-CQSZACIVSA-N 1 0 391.924 3.619 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000810428646 888496446 /nfs/dbraw/zinc/49/64/46/888496446.db2.gz IOYRQOVYBAHXLD-UHFFFAOYSA-N 1 0 391.353 3.639 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000454297098 888508595 /nfs/dbraw/zinc/50/85/95/888508595.db2.gz STUZNZNURKZWJX-UHFFFAOYSA-N 1 0 385.537 3.847 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)nn1 ZINC000865685105 888515345 /nfs/dbraw/zinc/51/53/45/888515345.db2.gz CBHKZYNVVJPBIU-QGZVFWFLSA-N 1 0 397.523 3.873 20 30 GHEDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000865694359 888519278 /nfs/dbraw/zinc/51/92/78/888519278.db2.gz CLADBJAJOKTEPH-UHFFFAOYSA-N 1 0 386.503 3.514 20 30 GHEDRO C#C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)c1ccc(Cl)cc1 ZINC000810474590 888552487 /nfs/dbraw/zinc/55/24/87/888552487.db2.gz YBOYGTXWFSHVIE-FQEVSTJZSA-N 1 0 397.906 3.611 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2CN=Nc2ncccc2C(F)(F)F)CC1 ZINC000915960577 888580224 /nfs/dbraw/zinc/58/02/24/888580224.db2.gz JPMAUOCZXHUSMD-UHFFFAOYSA-N 1 0 397.832 3.952 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN2C2CCCCCC2)c(-c2ccncc2)n1 ZINC000865804636 888587013 /nfs/dbraw/zinc/58/70/13/888587013.db2.gz CUVXUKTTZANIGE-JOCHJYFZSA-N 1 0 392.551 3.745 20 30 GHEDRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNCC[NH+]1CCCCC1 ZINC000915975003 888592999 /nfs/dbraw/zinc/59/29/99/888592999.db2.gz ZCZRDJURZONWAY-UHFFFAOYSA-N 1 0 380.323 3.897 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3Cl)CC1)C2 ZINC000865846979 888607925 /nfs/dbraw/zinc/60/79/25/888607925.db2.gz CIHBLYQRKJGJGA-IBGZPJMESA-N 1 0 379.891 3.573 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000644423588 913268330 /nfs/dbraw/zinc/26/83/30/913268330.db2.gz APSDMVQMFRPBPF-GXFFZTMASA-N 1 0 375.284 3.702 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(Cl)cnc2OC)no1 ZINC001211975496 888769103 /nfs/dbraw/zinc/76/91/03/888769103.db2.gz IPYVUHFUQHIGFC-ZBFHGGJFSA-N 1 0 394.903 3.872 20 30 GHEDRO C=CCOc1ccccc1CNc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000532729332 888823892 /nfs/dbraw/zinc/82/38/92/888823892.db2.gz QVWPHZQYVQXEKR-UHFFFAOYSA-N 1 0 392.503 3.615 20 30 GHEDRO N#CCc1ccsc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000866312616 888824594 /nfs/dbraw/zinc/82/45/94/888824594.db2.gz PBRWDZFRLSMJQT-JOCHJYFZSA-N 1 0 379.529 3.942 20 30 GHEDRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866449071 888882687 /nfs/dbraw/zinc/88/26/87/888882687.db2.gz QMHHAIMNJWRNIN-MRXNPFEDSA-N 1 0 392.503 3.845 20 30 GHEDRO CCc1noc(C2CCC([NH2+]C3CCN(c4ccccc4C#N)CC3)CC2)n1 ZINC000866448523 888883279 /nfs/dbraw/zinc/88/32/79/888883279.db2.gz HVMSZKWKWBHTIN-UHFFFAOYSA-N 1 0 379.508 3.788 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000532756515 888888747 /nfs/dbraw/zinc/88/87/47/888888747.db2.gz ZYSCITBHZISIQT-UHFFFAOYSA-N 1 0 383.499 3.723 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000532760784 888898201 /nfs/dbraw/zinc/89/82/01/888898201.db2.gz TYULLSICITYKDZ-UHFFFAOYSA-N 1 0 397.544 3.976 20 30 GHEDRO N#CCOc1cccc(CC(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000810833975 888922008 /nfs/dbraw/zinc/92/20/08/888922008.db2.gz AWXXDRHSOSOXPI-OAQYLSRUSA-N 1 0 378.472 3.729 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000810840474 888929413 /nfs/dbraw/zinc/92/94/13/888929413.db2.gz GROGWOYCQHGLIK-IRLDBZIGSA-N 1 0 376.456 3.921 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2cccc(C#N)c2)C1 ZINC000916387393 888953047 /nfs/dbraw/zinc/95/30/47/888953047.db2.gz NJDFJXUURLXMEI-OALUTQOASA-N 1 0 391.515 3.731 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000454470631 889092689 /nfs/dbraw/zinc/09/26/89/889092689.db2.gz XAGNZRFHXDIVIA-IBGZPJMESA-N 1 0 377.916 3.543 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344198 889205131 /nfs/dbraw/zinc/20/51/31/889205131.db2.gz YPHGSVOTSJMAIK-LJQANCHMSA-N 1 0 383.879 3.544 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Cc3c(F)cccc3F)CC2)CC1 ZINC000454539119 889242009 /nfs/dbraw/zinc/24/20/09/889242009.db2.gz JAIWVNHFGRCXRV-UHFFFAOYSA-N 1 0 377.479 3.579 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CCOC)c2cccc(C(F)(F)F)c2)CC1 ZINC000454532478 889279523 /nfs/dbraw/zinc/27/95/23/889279523.db2.gz CLXSNOICEZZGMR-GOSISDBHSA-N 1 0 399.457 3.733 20 30 GHEDRO CN(CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000532959363 889429206 /nfs/dbraw/zinc/42/92/06/889429206.db2.gz IDEWJONXQVHJSZ-UHFFFAOYSA-N 1 0 382.533 3.505 20 30 GHEDRO COc1ccc(CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000532976875 889438857 /nfs/dbraw/zinc/43/88/57/889438857.db2.gz OFHYUNLPXZYRRS-UHFFFAOYSA-N 1 0 395.503 3.715 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCc3ccccc3CC1)CCCC2 ZINC000532978761 889445208 /nfs/dbraw/zinc/44/52/08/889445208.db2.gz JJZQKPFLMLSKID-UHFFFAOYSA-N 1 0 379.529 3.928 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000124086770 889502462 /nfs/dbraw/zinc/50/24/62/889502462.db2.gz KZJQXJPMUOWZPZ-SFTDATJTSA-N 1 0 387.524 3.531 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000533053527 889633535 /nfs/dbraw/zinc/63/35/35/889633535.db2.gz MFHWGXTXPKKQGS-VWPQPMDRSA-N 1 0 396.579 3.887 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811491409 889641740 /nfs/dbraw/zinc/64/17/40/889641740.db2.gz KVWUVZMJCBBVTQ-BBRMVZONSA-N 1 0 383.414 3.924 20 30 GHEDRO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nnc1[C@@H]1COc2ccccc2O1 ZINC000124715075 889734701 /nfs/dbraw/zinc/73/47/01/889734701.db2.gz IKVOFYLIZBPNPO-YJBOKZPZSA-N 1 0 386.521 3.553 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@@H]1C(F)(F)F ZINC001168517166 889776935 /nfs/dbraw/zinc/77/69/35/889776935.db2.gz DNXIKFLOXWBCJD-LXTVHRRPSA-N 1 0 375.435 3.989 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@]2(COC)OCCc3ccccc32)c(O)c1 ZINC000811624696 889793883 /nfs/dbraw/zinc/79/38/83/889793883.db2.gz NLIZBZKBMDTXJY-GVFUYMABSA-N 1 0 382.504 3.772 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533178635 889914676 /nfs/dbraw/zinc/91/46/76/889914676.db2.gz WJILQCSOTDLFFN-IEBWSBKVSA-N 1 0 375.806 3.551 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cccc(Br)c1 ZINC000533252072 890096628 /nfs/dbraw/zinc/09/66/28/890096628.db2.gz CYXBUBUFYCPCCQ-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1Cl ZINC001133099533 890152956 /nfs/dbraw/zinc/15/29/56/890152956.db2.gz KZDXWGIKLMHPMS-LJQANCHMSA-N 1 0 380.879 3.748 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(C#N)s2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000533261308 890159171 /nfs/dbraw/zinc/15/91/71/890159171.db2.gz ABSACADLWKEYDR-KRWDZBQOSA-N 1 0 391.500 3.824 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000811964915 890170354 /nfs/dbraw/zinc/17/03/54/890170354.db2.gz TZCCTKLDIZOOQG-HXUWFJFHSA-N 1 0 382.895 3.625 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1C ZINC000125812423 890171552 /nfs/dbraw/zinc/17/15/52/890171552.db2.gz QULDGQINIYIEPB-SFHVURJKSA-N 1 0 379.504 3.819 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1cccc(C#N)c1 ZINC000026329429 890404132 /nfs/dbraw/zinc/40/41/32/890404132.db2.gz MNPISTNCIZLARU-UHFFFAOYSA-N 1 0 390.256 3.920 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000780441363 913451194 /nfs/dbraw/zinc/45/11/94/913451194.db2.gz PVOXADOBPQZVGX-ZDUSSCGKSA-N 1 0 378.444 3.979 20 30 GHEDRO NC(=[NH+]OCc1cncc(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 ZINC000812305096 890518992 /nfs/dbraw/zinc/51/89/92/890518992.db2.gz YPNUVSSQABRKMQ-UHFFFAOYSA-N 1 0 378.398 3.928 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000870987934 890596465 /nfs/dbraw/zinc/59/64/65/890596465.db2.gz WDKQFCKVIJPWPJ-UHFFFAOYSA-N 1 0 379.382 3.627 20 30 GHEDRO C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3cccc(Br)n3)C2)C1=O ZINC001275345213 913478793 /nfs/dbraw/zinc/47/87/93/913478793.db2.gz TZDCBNSPACRKPC-HXUWFJFHSA-N 1 0 398.304 3.520 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)cc1 ZINC000533501571 890750971 /nfs/dbraw/zinc/75/09/71/890750971.db2.gz HATVADYJDFASFZ-HXUWFJFHSA-N 1 0 392.503 3.779 20 30 GHEDRO C[NH+](C)C1(C)CCC(NC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000871358275 890790436 /nfs/dbraw/zinc/79/04/36/890790436.db2.gz OJLFAXUCFMEFTM-UHFFFAOYSA-N 1 0 381.476 3.723 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000066389302 890928206 /nfs/dbraw/zinc/92/82/06/890928206.db2.gz JOIRIGNZLXSKIJ-QGZVFWFLSA-N 1 0 378.944 3.791 20 30 GHEDRO C=C[C@](C)(CC)C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812772485 890949245 /nfs/dbraw/zinc/94/92/45/890949245.db2.gz WFUMRQZUYNQORM-RWWKDMOOSA-N 1 0 393.572 3.569 20 30 GHEDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000812774530 890950439 /nfs/dbraw/zinc/95/04/39/890950439.db2.gz QOFNPLLRIMPELN-GAJHUEQPSA-N 1 0 380.488 3.932 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(CC#N)ccn1)[NH+]1CCCCC1 ZINC000871721589 890990782 /nfs/dbraw/zinc/99/07/82/890990782.db2.gz VKDAFGWVEMJRSV-LJQANCHMSA-N 1 0 393.491 3.505 20 30 GHEDRO N#CCc1ccnc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000871726541 890993664 /nfs/dbraw/zinc/99/36/64/890993664.db2.gz MRKXGJYAGSEPOK-NHCUHLMSSA-N 1 0 389.503 3.666 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000127329297 891005401 /nfs/dbraw/zinc/00/54/01/891005401.db2.gz FHSSGANTNHJHDU-HXUWFJFHSA-N 1 0 394.515 3.554 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)o1 ZINC000871796671 891015935 /nfs/dbraw/zinc/01/59/35/891015935.db2.gz FSZLGFZDBIXFNU-MQVJKMGUSA-N 1 0 376.416 3.778 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CCC(CC)([NH+]3CCCC3)CC2)c1=S ZINC000872646768 891295180 /nfs/dbraw/zinc/29/51/80/891295180.db2.gz GWQWCMXFRKTXCH-UHFFFAOYSA-N 1 0 375.586 3.775 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1=S ZINC000872723431 891313579 /nfs/dbraw/zinc/31/35/79/891313579.db2.gz LLSDGYRADFHKLT-IEBWSBKVSA-N 1 0 383.565 3.559 20 30 GHEDRO CCc1ccc([C@@H](CNS(=O)(=O)c2cccc(C)c2C#N)[NH+](CC)CC)cc1 ZINC001212021886 891334345 /nfs/dbraw/zinc/33/43/45/891334345.db2.gz WMJSNTIIZVLNSP-OAQYLSRUSA-N 1 0 399.560 3.791 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001133695701 891448427 /nfs/dbraw/zinc/44/84/27/891448427.db2.gz JUOKEAJHXBBVHK-PKTZIBPZSA-N 1 0 388.511 3.683 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000067630711 891562879 /nfs/dbraw/zinc/56/28/79/891562879.db2.gz DCVVBFZTHSAIKR-GOSISDBHSA-N 1 0 377.488 3.597 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873662150 891733267 /nfs/dbraw/zinc/73/32/67/891733267.db2.gz BRWIDYAIKINBRN-KRWDZBQOSA-N 1 0 375.586 3.877 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000121913303 891894762 /nfs/dbraw/zinc/89/47/62/891894762.db2.gz VMRSMFUIEKCBOW-UHFFFAOYSA-N 1 0 378.423 3.642 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497592840 891948612 /nfs/dbraw/zinc/94/86/12/891948612.db2.gz TURXCMSUUQCEFR-RDJZCZTQSA-N 1 0 396.457 3.937 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC12CCC2 ZINC000813785282 891968677 /nfs/dbraw/zinc/96/86/77/891968677.db2.gz MINNMJFWRWXROV-KRWDZBQOSA-N 1 0 395.507 3.618 20 30 GHEDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000796198819 913626151 /nfs/dbraw/zinc/62/61/51/913626151.db2.gz RPIVHVOHUUQIPS-DEOSSOPVSA-N 1 0 386.499 3.864 20 30 GHEDRO Cc1c(Cl)cnc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c1C#N ZINC001170718117 892130861 /nfs/dbraw/zinc/13/08/61/892130861.db2.gz JSYRWKFKQCWGKN-IYARVYRRSA-N 1 0 387.959 3.666 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2ccc(OCCO)c(OC)c2)c(O)c1 ZINC000917558099 892165603 /nfs/dbraw/zinc/16/56/03/892165603.db2.gz GLXSNZGQKKWRSJ-AJIWAEEYSA-N 1 0 386.492 3.798 20 30 GHEDRO C#CCN(C(=O)c1cc(Cl)c(OCCC)c(OCC)c1)C1CC[NH+](C)CC1 ZINC001134044420 892207348 /nfs/dbraw/zinc/20/73/48/892207348.db2.gz WOXVAAMLLRUHRJ-UHFFFAOYSA-N 1 0 392.927 3.697 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC001134051139 892221651 /nfs/dbraw/zinc/22/16/51/892221651.db2.gz VKHBLFWHNHLAEO-PBHICJAKSA-N 1 0 383.414 3.514 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000729809722 892225139 /nfs/dbraw/zinc/22/51/39/892225139.db2.gz OLDFTJZHBKUJST-FYYLOGMGSA-N 1 0 387.483 3.635 20 30 GHEDRO Cc1cccc2c1ncc(C#N)c2N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000611539971 892235099 /nfs/dbraw/zinc/23/50/99/892235099.db2.gz GVHNFLMMKVEHTK-UHFFFAOYSA-N 1 0 378.520 3.744 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000814183854 892378192 /nfs/dbraw/zinc/37/81/92/892378192.db2.gz OZJXOHADUNDNJX-AOPUEWEHSA-N 1 0 377.286 3.971 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000497814947 892458066 /nfs/dbraw/zinc/45/80/66/892458066.db2.gz JOCHXGLELIEQQH-NRFANRHFSA-N 1 0 381.545 3.773 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(c3cc(C#N)c(Br)cn3)C2)CC1 ZINC001185106556 913667622 /nfs/dbraw/zinc/66/76/22/913667622.db2.gz KJQURSWVNQABES-OAHLLOKOSA-N 1 0 377.330 3.664 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000533740283 892710953 /nfs/dbraw/zinc/71/09/53/892710953.db2.gz DJZAUKRPFYHDKX-NHCUHLMSSA-N 1 0 396.535 3.948 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1nc(C(C)C)no1 ZINC000497927577 892790347 /nfs/dbraw/zinc/79/03/47/892790347.db2.gz LEMMQUQJGBTOLQ-OAHLLOKOSA-N 1 0 390.557 3.852 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000933257689 892978361 /nfs/dbraw/zinc/97/83/61/892978361.db2.gz MEZLJHWLUUUABX-XLIONFOSSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)NCCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000466821108 913722153 /nfs/dbraw/zinc/72/21/53/913722153.db2.gz FNFWZMFGXFFXBV-HDICACEKSA-N 1 0 392.503 3.532 20 30 GHEDRO C#Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000933367620 893021419 /nfs/dbraw/zinc/02/14/19/893021419.db2.gz WFAGNBIPQLYGKK-UHFFFAOYSA-N 1 0 397.906 3.600 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000778170506 893032186 /nfs/dbraw/zinc/03/21/86/893032186.db2.gz SARIPUCKRFKPAO-UHFFFAOYSA-N 1 0 382.891 3.764 20 30 GHEDRO N#CCc1ccc(NC(=O)NCc2ccc(CN3CCOCC3)cc2)c(Cl)c1 ZINC000455753444 893213951 /nfs/dbraw/zinc/21/39/51/893213951.db2.gz PPYDSAUJTGCTHX-UHFFFAOYSA-N 1 0 398.894 3.560 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccnc1Oc1ccccc1OCCC ZINC000876725697 893302233 /nfs/dbraw/zinc/30/22/33/893302233.db2.gz WCEBEBJBGJNULF-INIZCTEOSA-N 1 0 389.883 3.749 20 30 GHEDRO Cc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1N(C)C ZINC000815067395 893410311 /nfs/dbraw/zinc/41/03/11/893410311.db2.gz YCPHKWZGUMBZRD-UHFFFAOYSA-N 1 0 376.504 3.783 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000877053732 893459524 /nfs/dbraw/zinc/45/95/24/893459524.db2.gz AGCFYBRJHGYBMB-SFHVURJKSA-N 1 0 392.503 3.547 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC000815154374 893492746 /nfs/dbraw/zinc/49/27/46/893492746.db2.gz AJRDTCSDPDKDDE-VGSWGCGISA-N 1 0 380.463 3.680 20 30 GHEDRO C[C@]1(NC(=O)c2cccc(C#N)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000563235006 893508759 /nfs/dbraw/zinc/50/87/59/893508759.db2.gz YESUVSVXVOFNCI-FQEVSTJZSA-N 1 0 398.304 3.715 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000563262480 893541188 /nfs/dbraw/zinc/54/11/88/893541188.db2.gz OSEJGQQFUHVFON-QGZVFWFLSA-N 1 0 399.897 3.844 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)C2=O)c1 ZINC001137117750 893552389 /nfs/dbraw/zinc/55/23/89/893552389.db2.gz DVWQIWRGNHRIQS-XMMPIXPASA-N 1 0 389.499 3.522 20 30 GHEDRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001137120300 893630920 /nfs/dbraw/zinc/63/09/20/893630920.db2.gz CABQNYCRKBSDAA-ZVDOUQERSA-N 1 0 383.536 3.884 20 30 GHEDRO N#CCSCCC[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459504855 893645563 /nfs/dbraw/zinc/64/55/63/893645563.db2.gz ITWVVXGOMZJEJA-UHFFFAOYSA-N 1 0 393.000 3.573 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2cc(C#N)ccc2OC)CC1)CC1CC1 ZINC000536735202 893694297 /nfs/dbraw/zinc/69/42/97/893694297.db2.gz PDOSQKPSLFEIBD-UHFFFAOYSA-N 1 0 384.524 3.933 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C(F)(F)F ZINC000877816046 893822566 /nfs/dbraw/zinc/82/25/66/893822566.db2.gz BNXAJXMFAJHPSE-CVEARBPZSA-N 1 0 383.414 3.693 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000129775290 893961702 /nfs/dbraw/zinc/96/17/02/893961702.db2.gz BUGFZKJRKOZDKW-KRWDZBQOSA-N 1 0 395.503 3.610 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459644912 893964554 /nfs/dbraw/zinc/96/45/54/893964554.db2.gz PVNMHTBLBYPZKE-LSDHHAIUSA-N 1 0 382.533 3.831 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)C[C@@H](C)O1 ZINC000563657500 894034256 /nfs/dbraw/zinc/03/42/56/894034256.db2.gz RSISQRYMIWHALH-QZMQVMSPSA-N 1 0 389.499 3.585 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1)CC(F)(F)F ZINC000878163049 894061711 /nfs/dbraw/zinc/06/17/11/894061711.db2.gz SYVBXMMPDNHIMU-QUCCMNQESA-N 1 0 395.469 3.633 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)c(F)c1 ZINC000459685699 894072030 /nfs/dbraw/zinc/07/20/30/894072030.db2.gz BDIDNSLMONGZOK-AWEZNQCLSA-N 1 0 395.247 3.540 20 30 GHEDRO C#CC[N@@H+](C)CCCN[C@@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000815651728 894096508 /nfs/dbraw/zinc/09/65/08/894096508.db2.gz BLBMZEQCHPEOPX-QFIPXVFZSA-N 1 0 386.923 3.991 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000459722414 894106701 /nfs/dbraw/zinc/10/67/01/894106701.db2.gz WREVNUOPMGPUPS-UKRRQHHQSA-N 1 0 396.329 3.960 20 30 GHEDRO CC1(C#N)CCC([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459710834 894132770 /nfs/dbraw/zinc/13/27/70/894132770.db2.gz UUNCCTCRUGSIKZ-RWBZWWBESA-N 1 0 383.305 3.801 20 30 GHEDRO C[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+](C2CC2)C1 ZINC000563784667 894189437 /nfs/dbraw/zinc/18/94/37/894189437.db2.gz AIFMVACJLPFCIT-SFHVURJKSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2OC)cc1OC ZINC000537025019 894231863 /nfs/dbraw/zinc/23/18/63/894231863.db2.gz HLQQZZDWQNQHHX-GOEBONIOSA-N 1 0 384.314 3.927 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2c(F)cccc2F)cc1 ZINC000537029615 894237651 /nfs/dbraw/zinc/23/76/51/894237651.db2.gz FOFPACGNUKVRFY-OAHLLOKOSA-N 1 0 387.430 3.961 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)s1)C(=S)NC[C@@H]1CCCO1 ZINC000022692198 894282763 /nfs/dbraw/zinc/28/27/63/894282763.db2.gz KFUPKDQXUIUHCY-INIZCTEOSA-O 1 0 389.566 3.614 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000537067361 894287285 /nfs/dbraw/zinc/28/72/85/894287285.db2.gz KIYXIGJDFMAUHM-CYBMUJFWSA-N 1 0 387.505 3.933 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000878478582 894322717 /nfs/dbraw/zinc/32/27/17/894322717.db2.gz MPURREHTAJCSPR-QHCPKHFHSA-N 1 0 399.535 3.806 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)s1 ZINC000022730099 894333620 /nfs/dbraw/zinc/33/36/20/894333620.db2.gz ZYXNHWPOZWMCLC-UHFFFAOYSA-O 1 0 383.518 3.887 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1CCC[C@H](Oc2ncccc2F)C1)c1ccccc1 ZINC000878525183 894358746 /nfs/dbraw/zinc/35/87/46/894358746.db2.gz YFYOZNUUHLLHQL-SIKLNZKXSA-N 1 0 381.451 3.505 20 30 GHEDRO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000935324597 894365111 /nfs/dbraw/zinc/36/51/11/894365111.db2.gz PLUGHIHFWQJASK-QGZVFWFLSA-N 1 0 377.488 3.513 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC000563978793 894392306 /nfs/dbraw/zinc/39/23/06/894392306.db2.gz OSQWXQBNVBWFSZ-IBGZPJMESA-N 1 0 386.927 3.783 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC[C@@H]21 ZINC000878675637 894503607 /nfs/dbraw/zinc/50/36/07/894503607.db2.gz RBLUEGCRLDKPCX-UTKZUKDTSA-N 1 0 376.460 3.908 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000564074943 894552177 /nfs/dbraw/zinc/55/21/77/894552177.db2.gz XXTWGLHSONZJBV-AUSIDOKSSA-N 1 0 390.531 3.701 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000537293979 894717900 /nfs/dbraw/zinc/71/79/00/894717900.db2.gz OMOULXXLIUKCLI-ZBFHGGJFSA-N 1 0 378.394 3.959 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1)c1ccccc1 ZINC000878935997 894735202 /nfs/dbraw/zinc/73/52/02/894735202.db2.gz ATRGLLBIHCHPMU-QTJGBDASSA-N 1 0 376.500 3.525 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000935730634 894762550 /nfs/dbraw/zinc/76/25/50/894762550.db2.gz YMYUBPZMZHEORG-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816455684 894819762 /nfs/dbraw/zinc/81/97/62/894819762.db2.gz UXFOKFJDKPEGIG-SPEDKVCISA-N 1 0 378.472 3.779 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000879136144 894856825 /nfs/dbraw/zinc/85/68/25/894856825.db2.gz JILAOLXJMWVQGK-GGPKGHCWSA-N 1 0 392.503 3.867 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1[nH]nc3c1cccc3C)CC2 ZINC001137142182 894912756 /nfs/dbraw/zinc/91/27/56/894912756.db2.gz VCLVENMZKNWKCU-UHFFFAOYSA-N 1 0 382.508 3.872 20 30 GHEDRO N#Cc1ccc(NC(=O)CN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000564393074 894930627 /nfs/dbraw/zinc/93/06/27/894930627.db2.gz JNBYISCUQSINBQ-UHFFFAOYSA-N 1 0 378.407 3.657 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879353111 895000501 /nfs/dbraw/zinc/00/05/01/895000501.db2.gz BYTOTWBLRLGHMG-UHFFFAOYSA-N 1 0 384.568 3.782 20 30 GHEDRO C=CCC[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(C(F)(F)F)cc1 ZINC000564466224 895015167 /nfs/dbraw/zinc/01/51/67/895015167.db2.gz LIXASWIQVPFBLT-QGZVFWFLSA-N 1 0 394.441 3.901 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879408762 895038293 /nfs/dbraw/zinc/03/82/93/895038293.db2.gz YVBBDYKKILSNOX-QAPCUYQASA-N 1 0 375.538 3.957 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)c1 ZINC000564530382 895057087 /nfs/dbraw/zinc/05/70/87/895057087.db2.gz PJBOZZLZRGBOBA-JOCHJYFZSA-N 1 0 381.520 3.725 20 30 GHEDRO COC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Br)c1 ZINC000879662098 895212817 /nfs/dbraw/zinc/21/28/17/895212817.db2.gz QLSRBUAAAFJKKD-SFHVURJKSA-N 1 0 375.266 3.829 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000879700657 895240791 /nfs/dbraw/zinc/24/07/91/895240791.db2.gz MCVQUXYUVWLFGO-MOPGFXCFSA-N 1 0 391.556 3.808 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1cc2cnccc2o1 ZINC000879714052 895253710 /nfs/dbraw/zinc/25/37/10/895253710.db2.gz UDMPBSJNXYAJSR-LBPRGKRZSA-N 1 0 380.473 3.929 20 30 GHEDRO C#C[C@H](NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC001275447205 913968854 /nfs/dbraw/zinc/96/88/54/913968854.db2.gz FBFPCYNABUOFHA-BTHDMNAMSA-N 1 0 382.891 3.784 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c(C#N)c1C ZINC000880099108 895512902 /nfs/dbraw/zinc/51/29/02/895512902.db2.gz GNYXFCKENVOGDO-MNOVXSKESA-N 1 0 380.370 3.860 20 30 GHEDRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(CC1(CC#N)CC1)C(C)C ZINC000880215976 895575594 /nfs/dbraw/zinc/57/55/94/895575594.db2.gz LXOROXNKLZMURH-AWEZNQCLSA-N 1 0 377.510 3.574 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000817417662 895593904 /nfs/dbraw/zinc/59/39/04/895593904.db2.gz RKYGUHXSGFJEEZ-KRWDZBQOSA-N 1 0 385.508 3.953 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000880257390 895598149 /nfs/dbraw/zinc/59/81/49/895598149.db2.gz XITCAWCLNKRLSS-UHFFFAOYSA-N 1 0 379.508 3.839 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCCOC1 ZINC000880467401 895721813 /nfs/dbraw/zinc/72/18/13/895721813.db2.gz ZUCXYUUXKYCQHR-VQIMIIECSA-N 1 0 377.916 3.690 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000565626835 895769039 /nfs/dbraw/zinc/76/90/39/895769039.db2.gz POXJOMOGLNFFCK-UHFFFAOYSA-N 1 0 396.434 3.672 20 30 GHEDRO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000565779160 895870842 /nfs/dbraw/zinc/87/08/42/895870842.db2.gz SJYNIHMXHUPWQE-KSFYIVLOSA-N 1 0 393.491 3.907 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1OC ZINC000818006946 896007940 /nfs/dbraw/zinc/00/79/40/896007940.db2.gz RGHJXJYZPPPUAU-FNORWQNLSA-N 1 0 399.516 3.835 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)C2)CC1 ZINC000880930638 896008321 /nfs/dbraw/zinc/00/83/21/896008321.db2.gz WZIOJXXTYBFVQW-MSOLQXFVSA-N 1 0 394.441 3.535 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)C2)CC1 ZINC000880930641 896008395 /nfs/dbraw/zinc/00/83/95/896008395.db2.gz WZIOJXXTYBFVQW-ZWKOTPCHSA-N 1 0 394.441 3.535 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000818233273 896091968 /nfs/dbraw/zinc/09/19/68/896091968.db2.gz GMWYRDMHKLALJW-NHCUHLMSSA-N 1 0 398.551 3.953 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000818424788 896163002 /nfs/dbraw/zinc/16/30/02/896163002.db2.gz TYDMMFSZQFJPLV-HNNXBMFYSA-N 1 0 382.424 3.644 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000881150857 896200586 /nfs/dbraw/zinc/20/05/86/896200586.db2.gz IDVKPNJPYXSADU-PXNSSMCTSA-N 1 0 377.492 3.664 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000818584751 896214143 /nfs/dbraw/zinc/21/41/43/896214143.db2.gz XDFMMJXFIBWQHE-UHFFFAOYSA-N 1 0 376.456 3.697 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(OC)cc1)(C3)C2 ZINC000818606602 896235088 /nfs/dbraw/zinc/23/50/88/896235088.db2.gz YVVDNDFYHAOXJB-KVEMZPMDSA-N 1 0 394.559 3.605 20 30 GHEDRO CC1CCN(Cc2csc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)n2)CC1 ZINC000566548230 896372359 /nfs/dbraw/zinc/37/23/59/896372359.db2.gz NLADDTJFHCVBDB-RBUKOAKNSA-N 1 0 380.517 3.989 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]CCC(=O)Nc2ccccc2F)ccc1OC ZINC000819066896 896382398 /nfs/dbraw/zinc/38/23/98/896382398.db2.gz FZRPAWHHGYZQSA-MRXNPFEDSA-N 1 0 385.439 3.634 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000819217192 896509874 /nfs/dbraw/zinc/50/98/74/896509874.db2.gz RQCWHXMGFMYVSH-DLBZAZTESA-N 1 0 388.533 3.596 20 30 GHEDRO COc1cc(Br)ccc1CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819225587 896519045 /nfs/dbraw/zinc/51/90/45/896519045.db2.gz YOLHXZUDFWSEOZ-GOSISDBHSA-N 1 0 389.293 3.585 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000819231029 896521573 /nfs/dbraw/zinc/52/15/73/896521573.db2.gz PEJOHCNNRFOFAC-CQSZACIVSA-N 1 0 385.986 3.535 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000819289214 896530160 /nfs/dbraw/zinc/53/01/60/896530160.db2.gz HBCUJXDWQABDKL-AWEZNQCLSA-N 1 0 388.002 3.639 20 30 GHEDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000566779053 896565710 /nfs/dbraw/zinc/56/57/10/896565710.db2.gz SHKYJHSQJOBRPJ-MRXNPFEDSA-N 1 0 397.906 3.920 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000566892171 896674068 /nfs/dbraw/zinc/67/40/68/896674068.db2.gz FSEZGKBYGYVESX-RDJZCZTQSA-N 1 0 394.441 3.691 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1 ZINC000819433057 896733336 /nfs/dbraw/zinc/73/33/36/896733336.db2.gz HOAAOIILJOAMAI-GOSISDBHSA-N 1 0 388.512 3.582 20 30 GHEDRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000566961483 896746629 /nfs/dbraw/zinc/74/66/29/896746629.db2.gz YKFQVXPCHYLKOB-UHFFFAOYSA-N 1 0 388.556 3.951 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000566997174 896778739 /nfs/dbraw/zinc/77/87/39/896778739.db2.gz JSNIJDIDMPDVLV-HXUWFJFHSA-N 1 0 392.421 3.629 20 30 GHEDRO Cn1cc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000567138748 896903467 /nfs/dbraw/zinc/90/34/67/896903467.db2.gz WMPKEPYROPXPAJ-UHFFFAOYSA-N 1 0 378.426 3.911 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC000820085122 897146008 /nfs/dbraw/zinc/14/60/08/897146008.db2.gz CQZMAURFLNTFQG-QWHZDKJVSA-N 1 0 386.282 3.725 20 30 GHEDRO CN(C)C(NCc1ccc(COC2CCOCC2)cc1)=[NH+]Cc1ccccc1 ZINC000130632173 897164808 /nfs/dbraw/zinc/16/48/08/897164808.db2.gz XLPYPRQHKGGFHN-UHFFFAOYSA-N 1 0 381.520 3.590 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)c2cccs2)CC1 ZINC000130899841 897247897 /nfs/dbraw/zinc/24/78/97/897247897.db2.gz VBUSLQYUJISYER-FQEVSTJZSA-N 1 0 397.544 3.782 20 30 GHEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000567684285 897335608 /nfs/dbraw/zinc/33/56/08/897335608.db2.gz GCDYPJHZSYTCIN-YOEHRIQHSA-N 1 0 389.849 3.606 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000567755660 897381011 /nfs/dbraw/zinc/38/10/11/897381011.db2.gz IAFJJPCGDQATKG-AVRDEDQJSA-N 1 0 376.504 3.605 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@@H]1CCOC1 ZINC000883234697 897393891 /nfs/dbraw/zinc/39/38/91/897393891.db2.gz KPLPKNXUKPFGHK-FGTMMUONSA-N 1 0 384.586 3.547 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000282837760 897970401 /nfs/dbraw/zinc/97/04/01/897970401.db2.gz VHEOFAUCZXVWAW-HXUWFJFHSA-N 1 0 377.536 3.949 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000102000163 897987435 /nfs/dbraw/zinc/98/74/35/897987435.db2.gz VVQSILRPBXTYCX-AVRDEDQJSA-N 1 0 391.519 3.710 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000568734027 898071503 /nfs/dbraw/zinc/07/15/03/898071503.db2.gz VCIADISYIOSLDP-KNQAVFIVSA-N 1 0 390.487 3.661 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001136507923 898098779 /nfs/dbraw/zinc/09/87/79/898098779.db2.gz FSBDDODPAUBWOM-UHFFFAOYSA-N 1 0 380.879 3.897 20 30 GHEDRO C=CCOc1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000105017832 898178600 /nfs/dbraw/zinc/17/86/00/898178600.db2.gz PUQUOXKPJOKODR-UHFFFAOYSA-N 1 0 395.503 3.530 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 ZINC000106037505 898247415 /nfs/dbraw/zinc/24/74/15/898247415.db2.gz GEJXJHUKWZBORF-UHFFFAOYSA-N 1 0 389.446 3.709 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccccc2)Cc2ccncc2)CC1 ZINC000106340880 898266100 /nfs/dbraw/zinc/26/61/00/898266100.db2.gz AYPIFEVAEPOJCQ-UHFFFAOYSA-N 1 0 392.547 3.876 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001136557614 898272931 /nfs/dbraw/zinc/27/29/31/898272931.db2.gz KWLAYHMATARSDT-INIZCTEOSA-N 1 0 383.305 3.976 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NCC3([NH3+])CCCCCC3)cc2)ccn1 ZINC000569202131 898422943 /nfs/dbraw/zinc/42/29/43/898422943.db2.gz SZRZIWQLFKRDQP-UHFFFAOYSA-N 1 0 379.464 3.919 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000155317733 898610122 /nfs/dbraw/zinc/61/01/22/898610122.db2.gz SZAXUEPJJUHYOX-UGKGYDQZSA-N 1 0 376.504 3.522 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC000822821401 898652598 /nfs/dbraw/zinc/65/25/98/898652598.db2.gz VRRSZTCAAQCTAE-FQEVSTJZSA-N 1 0 381.451 3.663 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C2 ZINC000884099607 898867340 /nfs/dbraw/zinc/86/73/40/898867340.db2.gz UFJUPWRVLMIOJR-FHLLLWTNSA-N 1 0 393.918 3.879 20 30 GHEDRO CCCN(C(=O)c1ncc(C#N)cc1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000569692279 898889637 /nfs/dbraw/zinc/88/96/37/898889637.db2.gz WNOKDSCODGHFMR-OAQYLSRUSA-N 1 0 376.504 3.779 20 30 GHEDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1 ZINC000884146922 899080516 /nfs/dbraw/zinc/08/05/16/899080516.db2.gz VRDKPGGXJUAVQJ-JZLYGMAVSA-N 1 0 383.439 3.727 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000114724510 899113828 /nfs/dbraw/zinc/11/38/28/899113828.db2.gz LVSLAZXCXHMUCZ-LJQANCHMSA-N 1 0 379.460 3.741 20 30 GHEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000118805896 899472443 /nfs/dbraw/zinc/47/24/43/899472443.db2.gz JJOFOFSFXDLXNO-HXUWFJFHSA-N 1 0 392.503 3.747 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000824494839 899638071 /nfs/dbraw/zinc/63/80/71/899638071.db2.gz TZMYPFQUPMPFHF-RGKVJVKCSA-N 1 0 381.520 3.845 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824626438 899746324 /nfs/dbraw/zinc/74/63/24/899746324.db2.gz OIENWDFDJCWYQY-OAHLLOKOSA-N 1 0 381.443 3.651 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc2c(Br)cccc12 ZINC000571355140 899840421 /nfs/dbraw/zinc/84/04/21/899840421.db2.gz PNKGLRZWXWKJOB-UHFFFAOYSA-N 1 0 398.308 3.674 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000571846757 899988953 /nfs/dbraw/zinc/98/89/53/899988953.db2.gz GTEXWFAXYMQWCG-HNAYVOBHSA-N 1 0 383.458 3.804 20 30 GHEDRO CC(C)(c1csc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)n1)c1ccccc1 ZINC000884450223 900087459 /nfs/dbraw/zinc/08/74/59/900087459.db2.gz BIQZYIVANWHAQZ-JERHATOGSA-N 1 0 380.517 3.547 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(C#N)ccc1F ZINC000825479595 900212317 /nfs/dbraw/zinc/21/23/17/900212317.db2.gz PVCJSXKEVONLON-UHFFFAOYSA-N 1 0 379.439 3.641 20 30 GHEDRO N#Cc1cc2nc(Cl)c(-n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)nc2cc1C#N ZINC001171095754 900342693 /nfs/dbraw/zinc/34/26/93/900342693.db2.gz OMAUVCOQKOXSJF-AWEZNQCLSA-N 1 0 398.857 3.786 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000573839896 900657700 /nfs/dbraw/zinc/65/77/00/900657700.db2.gz KSJNQYJGMKYSHR-HNNXBMFYSA-N 1 0 378.354 3.852 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC000844356844 900761952 /nfs/dbraw/zinc/76/19/52/900761952.db2.gz TVABJTOCVIREFB-HBMCJLEFSA-N 1 0 399.535 3.843 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000844359761 900766283 /nfs/dbraw/zinc/76/62/83/900766283.db2.gz PIGHIRIVYCIJIL-NJDAHSKKSA-N 1 0 399.535 3.843 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000574189156 900811499 /nfs/dbraw/zinc/81/14/99/900811499.db2.gz FXAMIAPDCJPWGV-KKSFZXQISA-N 1 0 379.479 3.754 20 30 GHEDRO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)n1 ZINC000844409911 900840236 /nfs/dbraw/zinc/84/02/36/900840236.db2.gz MWDQAWRAZKWOPF-OXQOHEQNSA-N 1 0 380.492 3.788 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCC(C)(C)C#N)C1 ZINC000844458718 900886982 /nfs/dbraw/zinc/88/69/82/900886982.db2.gz GJWXIOPHRRSULK-KZNAEPCWSA-N 1 0 379.545 3.853 20 30 GHEDRO C[N@@H+]1CCN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@H]1Cc1ccccc1 ZINC001186388432 914494556 /nfs/dbraw/zinc/49/45/56/914494556.db2.gz RHEBSRUJWCJJOP-HXUWFJFHSA-N 1 0 385.471 3.504 20 30 GHEDRO COC(=O)c1ccc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(C#N)n1 ZINC000575138109 901130479 /nfs/dbraw/zinc/13/04/79/901130479.db2.gz QIHPRFWBQFCHAO-INIZCTEOSA-N 1 0 378.476 3.726 20 30 GHEDRO COc1cccc(C)c1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844646288 901134780 /nfs/dbraw/zinc/13/47/80/901134780.db2.gz MCUBEJVLTLLQIS-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)nc1 ZINC001144157738 901167951 /nfs/dbraw/zinc/16/79/51/901167951.db2.gz VIBNTLYTEFEDCR-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO C#CCN(C(=O)c1csc(-c2ccc(OCCC)cc2)n1)C1CC[NH+](C)CC1 ZINC000886582013 901176948 /nfs/dbraw/zinc/17/69/48/901176948.db2.gz CCZTWBPAHUKUKX-UHFFFAOYSA-N 1 0 397.544 3.769 20 30 GHEDRO N#Cc1ccc(CN(Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)nc1 ZINC001144166570 901210894 /nfs/dbraw/zinc/21/08/94/901210894.db2.gz LDDCQBXHYSBSIY-XMMPIXPASA-N 1 0 396.494 3.757 20 30 GHEDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000575377639 901223054 /nfs/dbraw/zinc/22/30/54/901223054.db2.gz ACEJQJPJRDRBFB-RDTXWAMCSA-N 1 0 378.394 3.710 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c(OC)c1 ZINC000886686415 901226324 /nfs/dbraw/zinc/22/63/24/901226324.db2.gz PIKSATJFMYHEBR-AWEZNQCLSA-N 1 0 399.516 3.804 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)c2)cc1 ZINC000886932767 901334548 /nfs/dbraw/zinc/33/45/48/901334548.db2.gz NXXDMZKSLURIIZ-HNNXBMFYSA-N 1 0 386.402 3.717 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247138 901444899 /nfs/dbraw/zinc/44/48/99/901444899.db2.gz GHEKWPJBCFSYNE-JTSKRJEESA-N 1 0 376.504 3.707 20 30 GHEDRO C#CCC1([NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CCOCC1 ZINC000887126040 901447816 /nfs/dbraw/zinc/44/78/16/901447816.db2.gz UACZYTWZTQKJNG-ZEQRLZLVSA-N 1 0 393.527 3.624 20 30 GHEDRO C=CCN1CCC2(CC[NH+](CCCc3ccc(Br)cc3)CC2)C1=O ZINC001275526407 914547287 /nfs/dbraw/zinc/54/72/87/914547287.db2.gz GIKPURAWBIQQCZ-UHFFFAOYSA-N 1 0 391.353 3.882 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)CC2)c1 ZINC001171162481 901788702 /nfs/dbraw/zinc/78/87/02/901788702.db2.gz JJXDJGHUJSOWCT-QGZVFWFLSA-N 1 0 387.314 3.940 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000576327092 901952060 /nfs/dbraw/zinc/95/20/60/901952060.db2.gz HRLNRWNETUYIJE-ZDXQCDESSA-N 1 0 375.516 3.551 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1C#N ZINC000047405644 901977945 /nfs/dbraw/zinc/97/79/45/901977945.db2.gz XXEKIFAZTQJPMY-KRWDZBQOSA-N 1 0 384.524 3.531 20 30 GHEDRO C[N@H+](CCCc1nc(-c2ccccc2)no1)CCOCc1ccc(C#N)cc1 ZINC000576428391 902014775 /nfs/dbraw/zinc/01/47/75/902014775.db2.gz JYDSVZLEUMXDCV-UHFFFAOYSA-N 1 0 376.460 3.689 20 30 GHEDRO CC[N@H+](C)C[C@H](O)CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N ZINC000576479087 902044390 /nfs/dbraw/zinc/04/43/90/902044390.db2.gz LNTHPXMKYSMWAG-LBPRGKRZSA-N 1 0 399.438 3.945 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001171175453 902064891 /nfs/dbraw/zinc/06/48/91/902064891.db2.gz LLBDIHPUCXBLOV-MAUKXSAKSA-N 1 0 393.478 3.971 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c(C#N)c1C ZINC000333432186 902083471 /nfs/dbraw/zinc/08/34/71/902083471.db2.gz JVERZHXPHTUVHJ-HQJJXPTPSA-N 1 0 389.565 3.827 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001171179507 902095895 /nfs/dbraw/zinc/09/58/95/902095895.db2.gz SPYHBJCENCIEAH-DHJUGAMNSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001171178905 902120880 /nfs/dbraw/zinc/12/08/80/902120880.db2.gz LSOVDRISFIFRHJ-UMSONDCASA-N 1 0 383.536 3.972 20 30 GHEDRO [NH2+]=C(Nc1ccc(=O)n(Cc2ccc(F)cc2)c1)c1ccc2cc(O)ccc2c1 ZINC001171186320 902195117 /nfs/dbraw/zinc/19/51/17/902195117.db2.gz QEFCKNPUSYLIPF-UHFFFAOYSA-N 1 0 387.414 3.932 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001171192753 902257445 /nfs/dbraw/zinc/25/74/45/902257445.db2.gz AVEKCVBPHMRGEJ-KRWDZBQOSA-N 1 0 379.479 3.770 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000576897855 902342524 /nfs/dbraw/zinc/34/25/24/902342524.db2.gz XMMLLCPRAXTAPG-WOIUINJBSA-N 1 0 392.551 3.696 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cc1 ZINC001144568021 902399820 /nfs/dbraw/zinc/39/98/20/902399820.db2.gz IJHQKQDRIZWCPA-UHFFFAOYSA-N 1 0 385.515 3.690 20 30 GHEDRO C#Cc1ccc(CN2CCO[C@@H](c3ncn4c3cccc4Br)C2)cc1 ZINC001144568408 902399891 /nfs/dbraw/zinc/39/98/91/902399891.db2.gz UQGMMVWDDGGBJF-GOSISDBHSA-N 1 0 396.288 3.652 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc1 ZINC001144572202 902403657 /nfs/dbraw/zinc/40/36/57/902403657.db2.gz TZONYSGIXAWIFL-UHFFFAOYSA-N 1 0 376.475 3.964 20 30 GHEDRO C#Cc1ccc(C[N@@H+](CCCOC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001144576564 902408222 /nfs/dbraw/zinc/40/82/22/902408222.db2.gz NHJRGGICGKIVLC-UHFFFAOYSA-N 1 0 386.536 3.906 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC001144596615 902412493 /nfs/dbraw/zinc/41/24/93/902412493.db2.gz NXXHLDBZAUEYGR-JOCHJYFZSA-N 1 0 383.455 3.726 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171202477 902526347 /nfs/dbraw/zinc/52/63/47/902526347.db2.gz CFVWNOIYIGQGQT-IBGZPJMESA-N 1 0 381.520 3.990 20 30 GHEDRO C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006433 902587679 /nfs/dbraw/zinc/58/76/79/902587679.db2.gz IOUJCPGXSKNXHM-SFHVURJKSA-N 1 0 375.513 3.559 20 30 GHEDRO C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008180 902589080 /nfs/dbraw/zinc/58/90/80/902589080.db2.gz SUDDZPQCWDSEPB-KRWDZBQOSA-N 1 0 382.357 3.804 20 30 GHEDRO O=C(/C=C/C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001144709002 902714566 /nfs/dbraw/zinc/71/45/66/902714566.db2.gz UCMQWIVBFJLOTI-IJIRNXSHSA-N 1 0 388.511 3.796 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(CC#N)c3)cc2F)CC1 ZINC000263975836 902730876 /nfs/dbraw/zinc/73/08/76/902730876.db2.gz CBLMDSTWYWOQJQ-UHFFFAOYSA-N 1 0 380.467 3.674 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001171217364 902756126 /nfs/dbraw/zinc/75/61/26/902756126.db2.gz OUPHDEQXJQVDQP-PGRDOPGGSA-N 1 0 379.548 3.898 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000264029118 902786962 /nfs/dbraw/zinc/78/69/62/902786962.db2.gz KCNWOLFONWQBQQ-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccc(NC(=O)CC(C)C)c2)cc1OC ZINC000264095864 902839121 /nfs/dbraw/zinc/83/91/21/902839121.db2.gz MMKJQAHYRCISHC-UHFFFAOYSA-N 1 0 384.480 3.615 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)CCOCC1 ZINC000600723267 902844538 /nfs/dbraw/zinc/84/45/38/902844538.db2.gz KIQDBGDMBMGASJ-SFHVURJKSA-N 1 0 396.453 3.788 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2Oc2cccc(F)c2)CCOCC1 ZINC000600723472 902844602 /nfs/dbraw/zinc/84/46/02/902844602.db2.gz VADVKNRZEALKAI-LJQANCHMSA-N 1 0 384.451 3.779 20 30 GHEDRO CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000600724450 902845874 /nfs/dbraw/zinc/84/58/74/902845874.db2.gz UBFFMEYLMJHDNY-KRWDZBQOSA-N 1 0 384.442 3.644 20 30 GHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3(C#N)CCCCC3)CC2)c1C ZINC000264120728 902855790 /nfs/dbraw/zinc/85/57/90/902855790.db2.gz NJOQZHIQGIHJCP-UHFFFAOYSA-N 1 0 398.551 3.604 20 30 GHEDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000600733930 902857792 /nfs/dbraw/zinc/85/77/92/902857792.db2.gz LRHVIKSPIRTSLT-KSSFIOAISA-N 1 0 378.394 3.710 20 30 GHEDRO C[N@H+](CCc1ccc(Br)cc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000303345160 914670251 /nfs/dbraw/zinc/67/02/51/914670251.db2.gz WWYLPQITKPJTOR-LJQANCHMSA-N 1 0 398.304 3.601 20 30 GHEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000543739645 903097585 /nfs/dbraw/zinc/09/75/85/903097585.db2.gz LWTOBMMNWYTKEA-YSZBQJHXSA-N 1 0 394.563 3.686 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)cc(OC)c1OC ZINC000772953729 903211293 /nfs/dbraw/zinc/21/12/93/903211293.db2.gz LPFBZMAXVVVTQZ-KRWDZBQOSA-N 1 0 382.504 3.964 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000132384069 903248624 /nfs/dbraw/zinc/24/86/24/903248624.db2.gz JLHXNSPSXSZAOW-QUCCMNQESA-N 1 0 377.488 3.714 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000847017612 903400909 /nfs/dbraw/zinc/40/09/09/903400909.db2.gz RVGFSZOZTAKCSY-YADARESESA-N 1 0 375.516 3.765 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000264873920 903444044 /nfs/dbraw/zinc/44/40/44/903444044.db2.gz PKROXDIJIRTSBV-CVEARBPZSA-N 1 0 397.544 3.521 20 30 GHEDRO CSc1ncc2c(ccnc2NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171274394 903465670 /nfs/dbraw/zinc/46/56/70/903465670.db2.gz FKQDCNXRPVWIOI-UHFFFAOYSA-N 1 0 390.516 3.717 20 30 GHEDRO COC(=O)c1ccc(OC)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1F ZINC001171275574 903476354 /nfs/dbraw/zinc/47/63/54/903476354.db2.gz XWUGSWVLDDNGPR-UHFFFAOYSA-N 1 0 397.450 3.591 20 30 GHEDRO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001146222937 903477622 /nfs/dbraw/zinc/47/76/22/903477622.db2.gz NGHLEMMWXMTCSE-WZONZLPQSA-N 1 0 399.535 3.904 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000264994569 903542635 /nfs/dbraw/zinc/54/26/35/903542635.db2.gz XRDSKYDOVVUVNH-IBGZPJMESA-N 1 0 392.478 3.544 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)CC1 ZINC000265039857 903581613 /nfs/dbraw/zinc/58/16/13/903581613.db2.gz NBCPRXOQOSQZIX-FQEVSTJZSA-N 1 0 392.547 3.668 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000578187465 903598487 /nfs/dbraw/zinc/59/84/87/903598487.db2.gz CUBDIXVGSFBBOW-FQEVSTJZSA-N 1 0 384.476 3.697 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc1 ZINC001148596995 904132411 /nfs/dbraw/zinc/13/24/11/904132411.db2.gz RTIWLXUYDXDXQT-LJQANCHMSA-N 1 0 376.500 3.960 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)NC(C)(C)C)cc1 ZINC000151930175 904216515 /nfs/dbraw/zinc/21/65/15/904216515.db2.gz AXHCOFMALXKGJJ-UHFFFAOYSA-O 1 0 387.573 3.938 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cl)cc1Br ZINC000152901500 904312136 /nfs/dbraw/zinc/31/21/36/904312136.db2.gz GJMGISVWKZKLIV-UHFFFAOYSA-N 1 0 387.709 3.802 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1CCc3c(F)cc(F)cc3C1)CCO2 ZINC001171375331 904401639 /nfs/dbraw/zinc/40/16/39/904401639.db2.gz ZEHHKWPGFOWWNF-LQBOVUBWSA-N 1 0 377.475 3.896 20 30 GHEDRO [NH2+]=C(NCc1cccc(NC(=O)N2CCCC2)c1)Nc1ccc2c(c1)CCC2 ZINC000104177149 904548628 /nfs/dbraw/zinc/54/86/28/904548628.db2.gz ZEPXPEMVEQIQLY-UHFFFAOYSA-N 1 0 377.492 3.730 20 30 GHEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000579456904 904621913 /nfs/dbraw/zinc/62/19/13/904621913.db2.gz QZQMXHZIEPSXNJ-JOCHJYFZSA-N 1 0 377.488 3.951 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171475987 904750470 /nfs/dbraw/zinc/75/04/70/904750470.db2.gz IPAMWOUOZMROQS-XMSQKQJNSA-N 1 0 390.474 3.933 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1snc(C)c1C#N)[NH+]1CCCCC1 ZINC000579683649 904814096 /nfs/dbraw/zinc/81/40/96/904814096.db2.gz YFNWGLFBSIMLOR-KRWDZBQOSA-N 1 0 399.520 3.681 20 30 GHEDRO C=CCCC[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000889937713 904848393 /nfs/dbraw/zinc/84/83/93/904848393.db2.gz JQTVGKZUYXYFKN-QHCPKHFHSA-N 1 0 398.595 3.753 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(CCc3ccc(F)cc3F)CC2)c1 ZINC001171625775 904888074 /nfs/dbraw/zinc/88/80/74/904888074.db2.gz DCXXWWITOGHRKG-UHFFFAOYSA-N 1 0 397.469 3.797 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC001171814810 905073553 /nfs/dbraw/zinc/07/35/53/905073553.db2.gz NQEJXPRGTZMRBV-CTNGQTDRSA-N 1 0 375.472 3.825 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)CC12CCC2 ZINC001171838688 905088960 /nfs/dbraw/zinc/08/89/60/905088960.db2.gz ILAXYIZPZWZRKV-SFHVURJKSA-N 1 0 385.508 3.849 20 30 GHEDRO CCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1CCCCC1 ZINC000299016812 921134570 /nfs/dbraw/zinc/13/45/70/921134570.db2.gz FIPALYIECTZWCH-SFHVURJKSA-N 1 0 380.492 3.804 20 30 GHEDRO N#CC1(c2ccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2)CC1 ZINC000365759337 921139763 /nfs/dbraw/zinc/13/97/63/921139763.db2.gz JPLMAEWKTXSKAB-VXKWHMMOSA-N 1 0 385.511 3.836 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@H]4CSc5ccccc5C4)C3)CC2=O)c1 ZINC001172206804 905403929 /nfs/dbraw/zinc/40/39/29/905403929.db2.gz YCLKFDWIIYRKFD-OFNKIYASSA-N 1 0 389.524 3.704 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])[C@H](C)Cc3ccc(C#N)cc3)nc3ccc(C)cc3n12 ZINC001172301818 905455054 /nfs/dbraw/zinc/45/50/54/905455054.db2.gz XLIYZAHRHLAUNE-QGZVFWFLSA-N 1 0 398.514 3.767 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@@H+]([C@@H](C)Cc4ccc(C#N)cc4)C3)CC2=O)cc1 ZINC001172304237 905456711 /nfs/dbraw/zinc/45/67/11/905456711.db2.gz LKAKOTSXGPYORF-MHECFPHRSA-N 1 0 389.499 3.627 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001172303620 905457544 /nfs/dbraw/zinc/45/75/44/905457544.db2.gz FHYSZCJIZCPODM-GOSISDBHSA-N 1 0 377.488 3.853 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001172306256 905461728 /nfs/dbraw/zinc/46/17/28/905461728.db2.gz WBSIRRUEZFWOKQ-GBXCKJPGSA-N 1 0 375.516 3.861 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC001172308086 905465682 /nfs/dbraw/zinc/46/56/82/905465682.db2.gz LEWRZBOTRFSROR-WMZHIEFXSA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172310184 905466995 /nfs/dbraw/zinc/46/69/95/905466995.db2.gz BOSDMPXSQFKJIR-JPYJTQIMSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001172313982 905471271 /nfs/dbraw/zinc/47/12/71/905471271.db2.gz HDYBCHWMUFKORG-FDDCHVKYSA-N 1 0 399.535 3.591 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2C[C@@H](COCC(=O)N(C)C)C1 ZINC001172359395 905528837 /nfs/dbraw/zinc/52/88/37/905528837.db2.gz WGKDVRFQDKUTRF-VQTJNVASSA-N 1 0 392.588 3.559 20 30 GHEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C(F)(F)F)C1 ZINC001172495637 905598806 /nfs/dbraw/zinc/59/88/06/905598806.db2.gz GRWYVZIASMLTQA-JJRVBVJISA-N 1 0 375.435 3.800 20 30 GHEDRO CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001172506672 905601689 /nfs/dbraw/zinc/60/16/89/905601689.db2.gz ZCKLMMVOEALQMN-PMACEKPBSA-N 1 0 392.588 3.704 20 30 GHEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001172511259 905605900 /nfs/dbraw/zinc/60/59/00/905605900.db2.gz PJEBBVUYBDSKRJ-KNQAVFIVSA-N 1 0 379.589 3.719 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520365 905615899 /nfs/dbraw/zinc/61/58/99/905615899.db2.gz MAQIEJIQNJRFFM-MLCQCVOFSA-N 1 0 381.564 3.557 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H](C)C2CC2)c(OC)c1 ZINC000801588918 921170872 /nfs/dbraw/zinc/17/08/72/921170872.db2.gz WXHXZTYHNRYOOS-KSFYIVLOSA-N 1 0 380.488 3.910 20 30 GHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000176562725 905874734 /nfs/dbraw/zinc/87/47/34/905874734.db2.gz PFFZWYTVTZDBNS-UHFFFAOYSA-N 1 0 386.418 3.635 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172907031 905933517 /nfs/dbraw/zinc/93/35/17/905933517.db2.gz ZNLFPIAOPIGALG-NFBKMPQASA-N 1 0 397.519 3.875 20 30 GHEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CCC2 ZINC001172977585 906043979 /nfs/dbraw/zinc/04/39/79/906043979.db2.gz CZEOWEGAAXSPOR-ABSDTBQOSA-N 1 0 385.508 3.954 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C[C@H]1C#N ZINC001172977721 906044735 /nfs/dbraw/zinc/04/47/35/906044735.db2.gz DYIAEORKYAMPJS-IGCXYCKISA-N 1 0 377.435 3.833 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c(Cl)c1 ZINC001172986408 906052379 /nfs/dbraw/zinc/05/23/79/906052379.db2.gz SYEIGOUQZHDMMO-GJZGRUSLSA-N 1 0 379.888 3.730 20 30 GHEDRO C[NH2+]CCc1cn([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c2ccccc12 ZINC001172991487 906101798 /nfs/dbraw/zinc/10/17/98/906101798.db2.gz YRCYHQVHPMEELF-ROUUACIJSA-N 1 0 382.508 3.867 20 30 GHEDRO CN1CCC([N@H+](C2CCCC2)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172993591 906103826 /nfs/dbraw/zinc/10/38/26/906103826.db2.gz ORPHYEKLHBSACD-PMACEKPBSA-N 1 0 390.572 3.617 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCOc2ccccc2C#N)c1F ZINC001173184962 906265658 /nfs/dbraw/zinc/26/56/58/906265658.db2.gz TVOSBFQSVCJXNS-AWEZNQCLSA-N 1 0 387.411 3.604 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCC(Oc3ccccc3)CC1)C2 ZINC001173195363 906281307 /nfs/dbraw/zinc/28/13/07/906281307.db2.gz OCOBDVUPMVJLFH-FUHYEJFZSA-N 1 0 378.516 3.871 20 30 GHEDRO Cc1cc(NC(=O)Cc2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190802525 906320936 /nfs/dbraw/zinc/32/09/36/906320936.db2.gz CHBGJMQHIXFODJ-UHFFFAOYSA-N 1 0 376.504 3.578 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC1 ZINC001173323962 906372432 /nfs/dbraw/zinc/37/24/32/906372432.db2.gz KBOWNLCEIKKBDV-YHBJDUNFSA-N 1 0 386.536 3.845 20 30 GHEDRO Cc1nc(Cn2c(=O)ccc3c2CC[C@@H]([NH2+]C2CCC(CC#N)CC2)C3)cs1 ZINC001173326413 906374066 /nfs/dbraw/zinc/37/40/66/906374066.db2.gz YYIJZNQINYCHQY-NKELODKYSA-N 1 0 396.560 3.581 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CC1 ZINC001173332945 906377483 /nfs/dbraw/zinc/37/74/83/906377483.db2.gz IKKGBOPWPFJITO-ZQRRJYLRSA-N 1 0 395.547 3.902 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)[C@@H]3CCCO[C@H]23)cs1 ZINC001173333526 906378370 /nfs/dbraw/zinc/37/83/70/906378370.db2.gz PEHIJMJEGRFKGA-FLLWYEDFSA-N 1 0 375.538 3.672 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](C2COC2)C2CCC(CC#N)CC2)CC1 ZINC001173337319 906379760 /nfs/dbraw/zinc/37/97/60/906379760.db2.gz HDPWGGCQZDEEJQ-UHFFFAOYSA-N 1 0 377.529 3.559 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001173367374 906398586 /nfs/dbraw/zinc/39/85/86/906398586.db2.gz HTUWSNSSFCQCES-ZACQAIPSSA-N 1 0 392.540 3.738 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CC(C)(C)S)CC[C@@H]1C(=O)OC(C)(C)C ZINC001173371497 906403170 /nfs/dbraw/zinc/40/31/70/906403170.db2.gz FWELHBYWWGQYFN-QLFBSQMISA-N 1 0 387.586 3.753 20 30 GHEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173374776 906403858 /nfs/dbraw/zinc/40/38/58/906403858.db2.gz QWWWPCJRTSWJMX-DBHNTLKXSA-N 1 0 379.541 3.846 20 30 GHEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173376963 906406980 /nfs/dbraw/zinc/40/69/80/906406980.db2.gz GZVCPTBKVBVCTH-KURKYZTESA-N 1 0 379.541 3.848 20 30 GHEDRO CN1CCC([N@H+](C2CCCC2)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173436342 906451427 /nfs/dbraw/zinc/45/14/27/906451427.db2.gz SDJBMTVBVLENEN-UHFFFAOYSA-N 1 0 394.563 3.502 20 30 GHEDRO COc1ccc(C(C)(C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173426141 906461748 /nfs/dbraw/zinc/46/17/48/906461748.db2.gz QLMIEEURVGEXAL-UHFFFAOYSA-N 1 0 377.488 3.696 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](c3ccncc3Cl)C3CC3)CC2)cc1 ZINC001173427265 906463451 /nfs/dbraw/zinc/46/34/51/906463451.db2.gz MXMCIWWSEYDYBA-NRFANRHFSA-N 1 0 394.906 3.952 20 30 GHEDRO CC(C)([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1cc(Cl)ccn1 ZINC001173429205 906466715 /nfs/dbraw/zinc/46/67/15/906466715.db2.gz SRUMRGCFHCKBTJ-UHFFFAOYSA-N 1 0 382.895 3.736 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@H+]3CCc4cc(Cl)ccc4C3)CC2)cc1 ZINC001173432483 906468594 /nfs/dbraw/zinc/46/85/94/906468594.db2.gz BSZAVQBQEHSQGB-UHFFFAOYSA-N 1 0 379.891 3.875 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](C3Cc4cc(F)c(F)cc4C3)C2)CC1 ZINC001173480434 906479230 /nfs/dbraw/zinc/47/92/30/906479230.db2.gz WOSFCIRGPIOALK-UHFFFAOYSA-N 1 0 390.474 3.933 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)CCO2 ZINC001173586790 906545462 /nfs/dbraw/zinc/54/54/62/906545462.db2.gz GZDZGVCOHKQITG-BWGXQHLSSA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OCCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586651 906545693 /nfs/dbraw/zinc/54/56/93/906545693.db2.gz DAPGIEVRWFLMOJ-UHFFFAOYSA-N 1 0 379.545 3.855 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(NC(=O)CCC)ccc2Cl)CC1 ZINC000179632540 906547764 /nfs/dbraw/zinc/54/77/64/906547764.db2.gz GMFVTKNZSLZRDJ-UHFFFAOYSA-N 1 0 378.904 3.851 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)CC1 ZINC001173595170 906548953 /nfs/dbraw/zinc/54/89/53/906548953.db2.gz UGDRHXJCYISVJM-OEXSPLCWSA-N 1 0 376.541 3.526 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCC3(C[C@@H]3C(=O)OCC)CC1)CCO2 ZINC001173610759 906564285 /nfs/dbraw/zinc/56/42/85/906564285.db2.gz IHCOPSFRMAAWNM-VMXVDCMNSA-N 1 0 391.552 3.572 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001173718402 906669408 /nfs/dbraw/zinc/66/94/08/906669408.db2.gz ZDLKWZXDRREZSV-LJQANCHMSA-N 1 0 391.515 3.552 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180075301 906682055 /nfs/dbraw/zinc/68/20/55/906682055.db2.gz VKXKPUJUICXARQ-AZUAARDMSA-N 1 0 392.503 3.664 20 30 GHEDRO CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180222896 906719252 /nfs/dbraw/zinc/71/92/52/906719252.db2.gz HNSZVTUKUWBCKB-JOCHJYFZSA-N 1 0 390.487 3.569 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(OCC#N)cc1 ZINC000180541397 906789294 /nfs/dbraw/zinc/78/92/94/906789294.db2.gz QAFHZQPUMKNHKT-KBPBESRZSA-N 1 0 376.453 3.543 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180541435 906791298 /nfs/dbraw/zinc/79/12/98/906791298.db2.gz QAFHZQPUMKNHKT-UONOGXRCSA-N 1 0 376.453 3.543 20 30 GHEDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000299267867 921274322 /nfs/dbraw/zinc/27/43/22/921274322.db2.gz YMXUYYPUHBPQLI-IBGZPJMESA-N 1 0 378.476 3.547 20 30 GHEDRO N#Cc1cc(I)c(Nc2ccc3[nH+]ccn3c2)cc1F ZINC001174280199 906937369 /nfs/dbraw/zinc/93/73/69/906937369.db2.gz PLAAVJZSKXONBI-UHFFFAOYSA-N 1 0 378.148 3.693 20 30 GHEDRO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001174574485 907092926 /nfs/dbraw/zinc/09/29/26/907092926.db2.gz LTFPRXRAPHFAQE-XZOQPEGZSA-N 1 0 391.515 3.615 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCCC1 ZINC001174593142 907106377 /nfs/dbraw/zinc/10/63/77/907106377.db2.gz HPTKVWJXTPODSI-UHFFFAOYSA-N 1 0 397.350 3.516 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182560882 907230186 /nfs/dbraw/zinc/23/01/86/907230186.db2.gz ZDCSMSXORCTYCV-MSOLQXFVSA-N 1 0 392.503 3.598 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192107927 907422287 /nfs/dbraw/zinc/42/22/87/907422287.db2.gz XUIYTGBTPVVZHI-QUCCMNQESA-N 1 0 387.842 3.799 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183718634 907446125 /nfs/dbraw/zinc/44/61/25/907446125.db2.gz CDAVNSGFZVBFIE-AEFFLSMTSA-N 1 0 389.565 3.940 20 30 GHEDRO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1Br ZINC000192245072 907564288 /nfs/dbraw/zinc/56/42/88/907564288.db2.gz XSEMIVIUAPHXHL-IBGZPJMESA-N 1 0 398.304 3.520 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001175530269 907604218 /nfs/dbraw/zinc/60/42/18/907604218.db2.gz AYTPHVVSKOENFA-LJQANCHMSA-N 1 0 398.304 3.749 20 30 GHEDRO O=c1[nH]c2ccccc2cc1C=NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192398446 907628450 /nfs/dbraw/zinc/62/84/50/907628450.db2.gz XXOZKTVAXQEJLP-JHXRPTDYSA-N 1 0 375.472 3.650 20 30 GHEDRO C[C@](O)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000184961315 907687490 /nfs/dbraw/zinc/68/74/90/907687490.db2.gz VMEVAQNDFPDZFI-QFIPXVFZSA-N 1 0 383.923 3.673 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3c(C#N)cnnc3-c3ccccc3)cc2)CC1 ZINC001175782897 907743765 /nfs/dbraw/zinc/74/37/65/907743765.db2.gz XWXRQEGRIXRNTD-UHFFFAOYSA-N 1 0 384.487 3.901 20 30 GHEDRO N#C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000192796245 907906571 /nfs/dbraw/zinc/90/65/71/907906571.db2.gz FGNDHPMQRYNONE-QHCPKHFHSA-N 1 0 389.499 3.821 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCSC3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000186482898 907931263 /nfs/dbraw/zinc/93/12/63/907931263.db2.gz DSEILNPLOMNCCU-UHFFFAOYSA-N 1 0 382.533 3.562 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cc(C(=O)N4CCCC4)ccc3F)sc2C1 ZINC001176208029 907985028 /nfs/dbraw/zinc/98/50/28/907985028.db2.gz VZWKFJLDWOMOKN-UHFFFAOYSA-N 1 0 384.480 3.726 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2ccc(Br)cc2C#N)cn1 ZINC001176355613 908069028 /nfs/dbraw/zinc/06/90/28/908069028.db2.gz PLHNDSIIJCUHNS-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2ccc(Br)c(C#N)c2)cn1 ZINC001176355729 908071062 /nfs/dbraw/zinc/07/10/62/908071062.db2.gz LQGULCAOSBEUIP-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(OC)c1 ZINC001176927430 908302550 /nfs/dbraw/zinc/30/25/50/908302550.db2.gz RSSJVJHEMKDYJE-HZPDHXFCSA-N 1 0 399.466 3.829 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000779725879 908349111 /nfs/dbraw/zinc/34/91/11/908349111.db2.gz GUMPLEKVMAKTPK-QGZVFWFLSA-N 1 0 394.544 3.928 20 30 GHEDRO N#Cc1ccc(NCC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)nc1 ZINC001177204286 908448213 /nfs/dbraw/zinc/44/82/13/908448213.db2.gz MWHYPJFWCZHSEV-UHFFFAOYSA-N 1 0 376.435 3.873 20 30 GHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 ZINC001177450139 908574919 /nfs/dbraw/zinc/57/49/19/908574919.db2.gz XOOVZVWCBWTEID-AZUAARDMSA-N 1 0 395.526 3.777 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cccc([N+](=O)[O-])c1)C(=S)NC(C)(C)C ZINC000193725431 908659727 /nfs/dbraw/zinc/65/97/27/908659727.db2.gz CPVHTOJKQPGDOG-UHFFFAOYSA-O 1 0 386.497 3.772 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634341979 908680806 /nfs/dbraw/zinc/68/08/06/908680806.db2.gz UYRICMOGLCTOGT-UHFFFAOYSA-N 1 0 392.551 3.847 20 30 GHEDRO COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000194168584 908862795 /nfs/dbraw/zinc/86/27/95/908862795.db2.gz ITKQFPOFISKEMW-UXHICEINSA-N 1 0 383.879 3.684 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2OCC#N)C1 ZINC000194162063 908863009 /nfs/dbraw/zinc/86/30/09/908863009.db2.gz JOWASRYNLMWZJF-SFHVURJKSA-N 1 0 377.488 3.751 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1OC ZINC001178165870 908918681 /nfs/dbraw/zinc/91/86/81/908918681.db2.gz LVIBCJFZXIGOOI-UHFFFAOYSA-N 1 0 382.382 3.842 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)OCCO2)C(=S)N[C@H](C)CC ZINC000194974084 908947361 /nfs/dbraw/zinc/94/73/61/908947361.db2.gz CBWQJLITASDEFZ-OAHLLOKOSA-O 1 0 399.536 3.635 20 30 GHEDRO CC(C)(Cc1ccncc1)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001178255621 908955077 /nfs/dbraw/zinc/95/50/77/908955077.db2.gz GRVNORQEYKBFHP-HZCBDIJESA-N 1 0 390.531 3.821 20 30 GHEDRO CC[N@H+](CCC1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1)CC(C)C ZINC000773729167 908957204 /nfs/dbraw/zinc/95/72/04/908957204.db2.gz DSWNWZJDXOVALY-QFIPXVFZSA-N 1 0 385.552 3.852 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC001178593710 909117317 /nfs/dbraw/zinc/11/73/17/909117317.db2.gz AIDDREFLZOQXER-SFHVURJKSA-N 1 0 386.289 3.814 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC#N)c1 ZINC000266430479 909151966 /nfs/dbraw/zinc/15/19/66/909151966.db2.gz XTAVMRRNAVFQFO-HXUWFJFHSA-N 1 0 392.503 3.965 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC#N)c1 ZINC000266435937 909156561 /nfs/dbraw/zinc/15/65/61/909156561.db2.gz ZDRIIHPZRTWDLN-IBGZPJMESA-N 1 0 378.476 3.575 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](CCNC(=O)OC(C)(C)C)c2ccccc21 ZINC001178953517 909331453 /nfs/dbraw/zinc/33/14/53/909331453.db2.gz DZOTWYVNJNDLJO-QGZVFWFLSA-N 1 0 387.524 3.540 20 30 GHEDRO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001179039801 909357795 /nfs/dbraw/zinc/35/77/95/909357795.db2.gz ODBNNWPOJPCNEK-AQNXPRMDSA-N 1 0 393.531 3.725 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N(CCC#N)CC2CC2)ccc1OC ZINC000267462971 909511985 /nfs/dbraw/zinc/51/19/85/909511985.db2.gz REYVDJSUPBUDPJ-UHFFFAOYSA-N 1 0 388.512 3.573 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267927960 909697296 /nfs/dbraw/zinc/69/72/96/909697296.db2.gz DUOMYCHXUYNQRZ-RDTXWAMCSA-N 1 0 378.567 3.640 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000795330677 909936317 /nfs/dbraw/zinc/93/63/17/909936317.db2.gz AZPAIMCFNZLZLA-RBBKRZOGSA-N 1 0 382.454 3.680 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C#N)c1c(Cl)cccc1Cl)C2 ZINC001274443817 910017220 /nfs/dbraw/zinc/01/72/20/910017220.db2.gz JNFQAIMQPPLEOB-KUHUBIRLSA-N 1 0 380.319 3.935 20 30 GHEDRO C=CCc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc(OC)c1O ZINC000269147782 910161363 /nfs/dbraw/zinc/16/13/63/910161363.db2.gz OSUXCNSUURZDEV-UHFFFAOYSA-N 1 0 396.535 3.667 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000366410543 921581729 /nfs/dbraw/zinc/58/17/29/921581729.db2.gz YXKXUIWCYQYQLD-IBGZPJMESA-N 1 0 391.515 3.842 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001181112403 910543684 /nfs/dbraw/zinc/54/36/84/910543684.db2.gz ONTPJUCUJQVLKJ-INIZCTEOSA-N 1 0 385.512 3.640 20 30 GHEDRO CCCCCCC[C@@H](C)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001181123572 910557479 /nfs/dbraw/zinc/55/74/79/910557479.db2.gz VIFKNYFKFBLXSR-LJQANCHMSA-N 1 0 397.567 3.954 20 30 GHEDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000773919291 910757397 /nfs/dbraw/zinc/75/73/97/910757397.db2.gz GYELDNXYGCWSLV-AUSIDOKSSA-N 1 0 399.535 3.541 20 30 GHEDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000271169615 910801905 /nfs/dbraw/zinc/80/19/05/910801905.db2.gz LORPMQDZOOSERH-IBGZPJMESA-N 1 0 387.524 3.506 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000247106441 910970824 /nfs/dbraw/zinc/97/08/24/910970824.db2.gz ORQASLZHSBKWER-LEWJYISDSA-N 1 0 382.552 3.581 20 30 GHEDRO C#C[C@@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001182160041 911215125 /nfs/dbraw/zinc/21/51/25/911215125.db2.gz DYMCHZNJWVUMDO-LJQANCHMSA-N 1 0 391.943 3.593 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000092535189 911601623 /nfs/dbraw/zinc/60/16/23/911601623.db2.gz OEIAKIKFGUDAST-UHFFFAOYSA-N 1 0 394.490 3.505 20 30 GHEDRO Cc1cccc(N(C(=O)[C@H](C)c2ccc(C#N)cc2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001182792754 912025913 /nfs/dbraw/zinc/02/59/13/912025913.db2.gz UNTXRAYOAHQPAK-XANCMCCPSA-N 1 0 389.499 3.524 20 30 GHEDRO COCC[N@H+](C)[C@H](CNC(=O)[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001182800073 912030890 /nfs/dbraw/zinc/03/08/90/912030890.db2.gz LNFKYOZUEAUOOS-HRAATJIYSA-N 1 0 399.922 3.751 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000291050270 914940304 /nfs/dbraw/zinc/94/03/04/914940304.db2.gz MTXGLAPWRSBABI-SFHVURJKSA-N 1 0 389.478 3.714 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000291070408 914955217 /nfs/dbraw/zinc/95/52/17/914955217.db2.gz AZWOTBQDQMEXIW-NRFANRHFSA-N 1 0 392.522 3.778 20 30 GHEDRO CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000303619283 915001806 /nfs/dbraw/zinc/00/18/06/915001806.db2.gz CYSJTPYUGHVRTN-GOSISDBHSA-N 1 0 379.508 3.831 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000303799584 915111883 /nfs/dbraw/zinc/11/18/83/915111883.db2.gz WMMBIOJFEHWIGU-QFIPXVFZSA-N 1 0 377.488 3.549 20 30 GHEDRO [NH2+]=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303769504 915119082 /nfs/dbraw/zinc/11/90/82/915119082.db2.gz BBHPAXIDNOYGLL-UHFFFAOYSA-N 1 0 395.381 3.716 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000802009349 921748727 /nfs/dbraw/zinc/74/87/27/921748727.db2.gz VJLIQVFVSKCIDM-QFIPXVFZSA-N 1 0 391.556 3.810 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000303881433 915295290 /nfs/dbraw/zinc/29/52/90/915295290.db2.gz KXEWJXINLCUCOK-UHFFFAOYSA-N 1 0 384.549 3.954 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCc2ccccc2OC2CCCC2)cc1OC ZINC000303898839 915302687 /nfs/dbraw/zinc/30/26/87/915302687.db2.gz RGQUBCVAAFYXQC-UHFFFAOYSA-N 1 0 383.492 3.630 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000796383907 915324629 /nfs/dbraw/zinc/32/46/29/915324629.db2.gz LNYMOYZVKNCEQC-GOSISDBHSA-N 1 0 398.272 3.785 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000303968598 915342731 /nfs/dbraw/zinc/34/27/31/915342731.db2.gz AXAIAJKQPCSKOG-SNVBAGLBSA-N 1 0 383.254 3.737 20 30 GHEDRO CCOc1ccc(C(=O)C(C(=S)NC2CCC2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000292413313 915665861 /nfs/dbraw/zinc/66/58/61/915665861.db2.gz YUPNAZIMAYEUGX-UHFFFAOYSA-O 1 0 398.552 3.520 20 30 GHEDRO [NH2+]=C(NCCCC(=O)N1CCc2ccccc21)Nc1cccc2c1CCCC2 ZINC000304757965 915674343 /nfs/dbraw/zinc/67/43/43/915674343.db2.gz PLFXPMWQSUCWMP-UHFFFAOYSA-N 1 0 376.504 3.662 20 30 GHEDRO C=CCOc1cccc(C[N@@H+](Cc2cncs2)C2CCN(C(C)=O)CC2)c1 ZINC000292784277 915844956 /nfs/dbraw/zinc/84/49/56/915844956.db2.gz LWHLNYRAOQBNTD-UHFFFAOYSA-N 1 0 385.533 3.721 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(CC#N)CC2)C1 ZINC000543777834 915872532 /nfs/dbraw/zinc/87/25/32/915872532.db2.gz ZYRGGJVDBFXIID-OALUTQOASA-N 1 0 382.552 4.000 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCCC(C)(C)O1 ZINC001188466267 915990652 /nfs/dbraw/zinc/99/06/52/915990652.db2.gz VQNHKLMWHWEXAM-QGZVFWFLSA-N 1 0 378.586 3.932 20 30 GHEDRO C[C@@H](NC(=[NH2+])NC[C@@]1(O)CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000305207542 916006625 /nfs/dbraw/zinc/00/66/25/916006625.db2.gz NKZWDSFCLIIVIQ-BLVKFPJESA-N 1 0 378.303 3.793 20 30 GHEDRO COc1cc2c(cc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)O[C@@H](C)C2 ZINC000305227972 916012052 /nfs/dbraw/zinc/01/20/52/916012052.db2.gz KZXKMFFXNLOHSD-NSHDSACASA-N 1 0 395.381 3.844 20 30 GHEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000775183562 916082141 /nfs/dbraw/zinc/08/21/41/916082141.db2.gz OUGYYYMSHFMVSU-HNNXBMFYSA-N 1 0 386.879 3.820 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000294080508 916572175 /nfs/dbraw/zinc/57/21/75/916572175.db2.gz IKRKHLNEKPTHQD-HUUCEWRRSA-N 1 0 394.441 3.699 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000775242603 916582789 /nfs/dbraw/zinc/58/27/89/916582789.db2.gz CIEFJBBEIWQFIO-PGRDOPGGSA-N 1 0 396.487 3.895 20 30 GHEDRO CCCCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000775339790 917054304 /nfs/dbraw/zinc/05/43/04/917054304.db2.gz ZMCQZTYPCVAJEY-INIZCTEOSA-N 1 0 379.460 3.804 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCCO1 ZINC000775342472 917064192 /nfs/dbraw/zinc/06/41/92/917064192.db2.gz RQMRKVUAAFQXLK-HZPDHXFCSA-N 1 0 377.307 3.843 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cc1 ZINC001190217888 917203243 /nfs/dbraw/zinc/20/32/43/917203243.db2.gz SKXVJZVQWQRLJP-ISKFKSNPSA-N 1 0 382.548 3.626 20 30 GHEDRO CCC[N@H+](CC(=O)N(C)CCOc1cc(C)cc(C)c1)Cc1ccc(C#N)cc1 ZINC001190349702 917277263 /nfs/dbraw/zinc/27/72/63/917277263.db2.gz ZXECWBVXGFEEIW-UHFFFAOYSA-N 1 0 393.531 3.925 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001190708457 917498265 /nfs/dbraw/zinc/49/82/65/917498265.db2.gz SLOAQULUCNSBFT-FQEVSTJZSA-N 1 0 395.522 3.594 20 30 GHEDRO CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)c2cccc(C(C)(C)C#N)c2)c1 ZINC001190942293 917651198 /nfs/dbraw/zinc/65/11/98/917651198.db2.gz GPZYFCHSCADADE-UHFFFAOYSA-N 1 0 392.459 3.513 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001190956840 917695150 /nfs/dbraw/zinc/69/51/50/917695150.db2.gz LRSJOEPXECLDMI-UHFFFAOYSA-N 1 0 376.504 3.525 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000363371291 918164545 /nfs/dbraw/zinc/16/45/45/918164545.db2.gz DXTBMYSPUQVHQB-HOTGVXAUSA-N 1 0 395.341 3.739 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C12CCC2 ZINC000296400127 918230108 /nfs/dbraw/zinc/23/01/08/918230108.db2.gz URCHNIFSGMZACD-KFKAGJAMSA-N 1 0 387.549 3.957 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000296594258 918439297 /nfs/dbraw/zinc/43/92/97/918439297.db2.gz JINOQHVLWKURMX-LJQANCHMSA-N 1 0 384.505 3.735 20 30 GHEDRO CC[N@H+](CCCNS(=O)(=O)Cc1c(C)cc(C#N)cc1C)C1CCCCC1 ZINC001192159509 918453585 /nfs/dbraw/zinc/45/35/85/918453585.db2.gz PUHYIBWTIDPCMC-UHFFFAOYSA-N 1 0 391.581 3.639 20 30 GHEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(Cl)cc1 ZINC000113177636 919363337 /nfs/dbraw/zinc/36/33/37/919363337.db2.gz UDHYUAFTEUAESL-LJQANCHMSA-N 1 0 385.920 3.883 20 30 GHEDRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000115598814 919458701 /nfs/dbraw/zinc/45/87/01/919458701.db2.gz VHKNTQBKDAJTND-KRWDZBQOSA-N 1 0 376.287 3.959 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1OC ZINC000364720602 919902433 /nfs/dbraw/zinc/90/24/33/919902433.db2.gz DOSOLMGIFUHSAC-FQEVSTJZSA-N 1 0 398.547 3.875 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[NH+]2CCCCC2)cc1 ZINC000297891945 919930134 /nfs/dbraw/zinc/93/01/34/919930134.db2.gz RSVSLHJOWITCHK-HFSMHLIXSA-N 1 0 384.524 3.604 20 30 GHEDRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 ZINC000900191352 919979809 /nfs/dbraw/zinc/97/98/09/919979809.db2.gz DJNIRKKJSBLUIN-HSZRJFAPSA-N 1 0 390.531 3.697 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c(OC)c1 ZINC000800399962 920031356 /nfs/dbraw/zinc/03/13/56/920031356.db2.gz VNNQXLBMWUUQTP-WOJBJXKFSA-N 1 0 387.907 3.574 20 30 GHEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCCCC#N)CC1 ZINC000364907777 920183413 /nfs/dbraw/zinc/18/34/13/920183413.db2.gz SQHVACAFAOLOPZ-UHFFFAOYSA-N 1 0 378.314 3.646 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)c(Br)c3)CC2)C1=O ZINC001275966440 920369449 /nfs/dbraw/zinc/36/94/49/920369449.db2.gz UGGIBCUJUQDWCC-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(C(=O)Nc3ccccc3)C2)c(O)c1 ZINC000800790082 920466094 /nfs/dbraw/zinc/46/60/94/920466094.db2.gz BPWNTESNGYQQIP-CKMDTHJYSA-N 1 0 380.492 3.964 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000298424299 920522366 /nfs/dbraw/zinc/52/23/66/920522366.db2.gz RZECXNNAIAIMIN-JQFCIGGWSA-N 1 0 382.430 3.690 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000298851198 920992641 /nfs/dbraw/zinc/99/26/41/920992641.db2.gz INRYJRSGABSFHI-WHDAMIPWSA-N 1 0 389.908 3.628 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3F)CC2)C1=O ZINC001275993511 921017371 /nfs/dbraw/zinc/01/73/71/921017371.db2.gz KYELUODMEHWDDS-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)c(F)c1 ZINC000367599045 922223187 /nfs/dbraw/zinc/22/31/87/922223187.db2.gz WSBVRMJUHVOBHP-IBGZPJMESA-N 1 0 395.434 3.566 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)c(F)c1 ZINC000367606576 922225752 /nfs/dbraw/zinc/22/57/52/922225752.db2.gz KKZTZRSEHRSOPU-UHFFFAOYSA-N 1 0 377.419 3.995 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC000802652685 922308530 /nfs/dbraw/zinc/30/85/30/922308530.db2.gz QIKANIFJBXAAOZ-VQIMIIECSA-N 1 0 388.943 3.971 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c(O)c(OC)c1 ZINC000902615566 922348080 /nfs/dbraw/zinc/34/80/80/922348080.db2.gz FHGBIPHMWNFKHB-CQSZACIVSA-N 1 0 393.409 3.928 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C#N)c1 ZINC000902758979 922472599 /nfs/dbraw/zinc/47/25/99/922472599.db2.gz MKCUKCCOCWKJAZ-IRLDBZIGSA-N 1 0 376.504 3.501 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(C#N)ccn1 ZINC000902837529 922543765 /nfs/dbraw/zinc/54/37/65/922543765.db2.gz ZBJPOCUKWMKVAL-BXUZGUMPSA-N 1 0 395.816 3.950 20 30 GHEDRO C=CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccncc1 ZINC000903098515 922770844 /nfs/dbraw/zinc/77/08/44/922770844.db2.gz PWGLETPYZLSBMF-FHWLQOOXSA-N 1 0 387.524 3.751 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)[C@@H]1Cc2ccccc2O1 ZINC000903150454 922811017 /nfs/dbraw/zinc/81/10/17/922811017.db2.gz RMIPFBQDFGHRME-CULRFDQTSA-N 1 0 377.550 3.518 20 30 GHEDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000903263856 922890216 /nfs/dbraw/zinc/89/02/16/922890216.db2.gz OTWWNUQGRSQJQR-VHKYSDTDSA-N 1 0 378.476 3.795 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000803666031 923132631 /nfs/dbraw/zinc/13/26/31/923132631.db2.gz XMYVMEXJKPTGON-OAQYLSRUSA-N 1 0 389.540 3.747 20 30 GHEDRO Cn1c2ccccc2nc1[C@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000370257756 923989306 /nfs/dbraw/zinc/98/93/06/923989306.db2.gz XZYUSUMZEILHAX-QGZVFWFLSA-N 1 0 379.489 3.672 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000826890855 924324214 /nfs/dbraw/zinc/32/42/14/924324214.db2.gz XQNIKGNCEUXQIS-UHFFFAOYSA-N 1 0 376.500 3.825 20 30 GHEDRO C=CCC1([NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)CCOCC1 ZINC000827146609 924896788 /nfs/dbraw/zinc/89/67/88/924896788.db2.gz HIALYXJGRWOCQX-SFHVURJKSA-N 1 0 384.520 3.946 20 30 GHEDRO C[N@H+](CCc1cccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1)C1CC1 ZINC000409909817 925130086 /nfs/dbraw/zinc/13/00/86/925130086.db2.gz VLTXFPBRHBMPHH-UHFFFAOYSA-N 1 0 385.471 3.633 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c(OC)c1 ZINC000679546622 925175854 /nfs/dbraw/zinc/17/58/54/925175854.db2.gz RGVCMHCUHXGVRW-HYVNUMGLSA-N 1 0 387.442 3.826 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cc(C(F)(F)F)ccc3Cl)CC2)C1=O ZINC001276081395 925344932 /nfs/dbraw/zinc/34/49/32/925344932.db2.gz JYUYCRHKOSGMQQ-UHFFFAOYSA-N 1 0 384.829 3.807 20 30 GHEDRO N#Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)ccc1F ZINC000372850890 925744135 /nfs/dbraw/zinc/74/41/35/925744135.db2.gz DPDBMEFGJWTCHD-XMSQKQJNSA-N 1 0 389.434 3.696 20 30 GHEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000373077583 925846206 /nfs/dbraw/zinc/84/62/06/925846206.db2.gz JTNOURWSCSFBEC-IBGZPJMESA-N 1 0 379.508 3.525 20 30 GHEDRO CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c2ccccc21 ZINC000373197310 925925953 /nfs/dbraw/zinc/92/59/53/925925953.db2.gz GPDWLKZVVCLKJB-NRFANRHFSA-N 1 0 385.471 3.546 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@@H](CO)c3ccccc3)sc2C1 ZINC000411229210 926234080 /nfs/dbraw/zinc/23/40/80/926234080.db2.gz UDIBQEFQQPOVGG-BEFAXECRSA-N 1 0 397.544 3.739 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000411361640 926333332 /nfs/dbraw/zinc/33/33/32/926333332.db2.gz AMKDZDPGWGSUKB-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO C[C@@H]1COC[C@@H](c2ccccc2)N1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411415634 926368815 /nfs/dbraw/zinc/36/88/15/926368815.db2.gz BRYANJALCUZIGV-BEFAXECRSA-N 1 0 395.528 3.899 20 30 GHEDRO C[C@@H]1COC[C@H](c2ccccc2)N1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411415636 926369036 /nfs/dbraw/zinc/36/90/36/926369036.db2.gz BRYANJALCUZIGV-DNVCBOLYSA-N 1 0 395.528 3.899 20 30 GHEDRO Cc1csc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)n1 ZINC000411485129 926439198 /nfs/dbraw/zinc/43/91/98/926439198.db2.gz ZRVAOAGKXFFRIX-KRWDZBQOSA-N 1 0 386.546 3.943 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000725840750 926464310 /nfs/dbraw/zinc/46/43/10/926464310.db2.gz MAKNZEPIYRUDSJ-QGZVFWFLSA-N 1 0 381.561 3.617 20 30 GHEDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000411514891 926476855 /nfs/dbraw/zinc/47/68/55/926476855.db2.gz TXXPEIHNWXNYOB-QGZVFWFLSA-N 1 0 375.856 3.673 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000411697042 926645362 /nfs/dbraw/zinc/64/53/62/926645362.db2.gz VDXOERLUHWITPQ-OAQYLSRUSA-N 1 0 383.879 3.532 20 30 GHEDRO C[C@H](NC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000726450377 926672086 /nfs/dbraw/zinc/67/20/86/926672086.db2.gz OYQMZYWFNHURBP-INIZCTEOSA-N 1 0 384.574 3.763 20 30 GHEDRO C#Cc1cccc(NC(=S)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000726459901 926679478 /nfs/dbraw/zinc/67/94/78/926679478.db2.gz SAPFPYWHMLPPPB-ROUUACIJSA-N 1 0 393.556 3.764 20 30 GHEDRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000726473728 926690758 /nfs/dbraw/zinc/69/07/58/926690758.db2.gz NXWUIQDUHGTJNQ-QGZVFWFLSA-N 1 0 376.888 3.940 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccn1 ZINC000411741123 926716330 /nfs/dbraw/zinc/71/63/30/926716330.db2.gz PJWDCVGTWAVNKS-KBPBESRZSA-N 1 0 398.532 3.828 20 30 GHEDRO CCC1CCC([N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C2CC2)CC1 ZINC000726585924 926744271 /nfs/dbraw/zinc/74/42/71/926744271.db2.gz BMKMPQMRCKAWLH-UHFFFAOYSA-N 1 0 394.519 3.713 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000726797645 926858274 /nfs/dbraw/zinc/85/82/74/926858274.db2.gz NONLDMFERGPEAK-MRXNPFEDSA-N 1 0 387.505 3.591 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)CN3CCCC3)sc2C1 ZINC000411878979 926880553 /nfs/dbraw/zinc/88/05/53/926880553.db2.gz ROAWPNHUSFBUPU-HNNXBMFYSA-N 1 0 388.581 3.537 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412130588 927131264 /nfs/dbraw/zinc/13/12/64/927131264.db2.gz PVJLIQCPKQGOOS-NRFANRHFSA-N 1 0 385.577 3.760 20 30 GHEDRO C=CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000749570305 927193127 /nfs/dbraw/zinc/19/31/27/927193127.db2.gz DHUMTBQCILPCGC-COPCDDAFSA-N 1 0 378.520 3.909 20 30 GHEDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)C2)cc1 ZINC000749907014 927341418 /nfs/dbraw/zinc/34/14/18/927341418.db2.gz BKBLENVNZJVRNE-FXAWDEMLSA-N 1 0 398.466 3.722 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CCCC3(C#N)CCOCC3)CCN2C2CC2)c1 ZINC000374792898 927528168 /nfs/dbraw/zinc/52/81/68/927528168.db2.gz JZIHFFFPAJAQRI-FCHUYYIVSA-N 1 0 383.536 3.663 20 30 GHEDRO N#CC1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000374873068 927636170 /nfs/dbraw/zinc/63/61/70/927636170.db2.gz GMLSSTXOKPVFKJ-UHFFFAOYSA-N 1 0 398.850 3.536 20 30 GHEDRO C[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000374900773 927673445 /nfs/dbraw/zinc/67/34/45/927673445.db2.gz XCVDDSZALRBUMH-SFHVURJKSA-N 1 0 379.479 3.994 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000374989054 927781943 /nfs/dbraw/zinc/78/19/43/927781943.db2.gz PIPFFQJNOILJEF-GCJKJVERSA-N 1 0 397.906 3.954 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000750867567 927905030 /nfs/dbraw/zinc/90/50/30/927905030.db2.gz OEKUWHMQJRNGTK-UHFFFAOYSA-N 1 0 382.508 3.738 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000751007367 927978695 /nfs/dbraw/zinc/97/86/95/927978695.db2.gz KKPSENZQOIVZJF-UHFFFAOYSA-N 1 0 396.604 3.765 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000413263516 928377109 /nfs/dbraw/zinc/37/71/09/928377109.db2.gz LKAQWEYQOCGFQF-OAQYLSRUSA-N 1 0 391.515 3.793 20 30 GHEDRO COc1cccc(C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CC2)c1 ZINC000375538219 928413675 /nfs/dbraw/zinc/41/36/75/928413675.db2.gz YIGLHAUAKXVYOO-QFIPXVFZSA-N 1 0 376.504 3.542 20 30 GHEDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000752084388 928601718 /nfs/dbraw/zinc/60/17/18/928601718.db2.gz VBPRYVKTRAQALO-CABCVRRESA-N 1 0 393.915 3.977 20 30 GHEDRO N#CCc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000544144502 928863048 /nfs/dbraw/zinc/86/30/48/928863048.db2.gz WFTZLMFPNRICCQ-UHFFFAOYSA-N 1 0 384.321 3.833 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000467295801 928930127 /nfs/dbraw/zinc/93/01/27/928930127.db2.gz UYKGKQBLHXNXAW-OAQYLSRUSA-N 1 0 391.515 3.933 20 30 GHEDRO C=C[C@@H](Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1)c1ccccc1 ZINC000544392657 929125833 /nfs/dbraw/zinc/12/58/33/929125833.db2.gz SYIAUUJGNFQHSL-SFHVURJKSA-N 1 0 389.503 3.786 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)c2ccccc2OCC#N)C[N@@H+]1Cc1ccccc1 ZINC000753149174 929229141 /nfs/dbraw/zinc/22/91/41/929229141.db2.gz IADFZORJSUQVIS-QUCCMNQESA-N 1 0 377.488 3.619 20 30 GHEDRO CCc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C#N)c1CC ZINC000467769003 929390393 /nfs/dbraw/zinc/39/03/93/929390393.db2.gz HWBFKJPVCIVPGQ-UHFFFAOYSA-N 1 0 377.536 3.821 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000467916586 929588022 /nfs/dbraw/zinc/58/80/22/929588022.db2.gz UUZRZAYFPFSSIJ-UHFFFAOYSA-N 1 0 398.551 3.839 20 30 GHEDRO CCOc1ccc(CCC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000469147154 929630967 /nfs/dbraw/zinc/63/09/67/929630967.db2.gz ZXBOGEXBOJZVQJ-GOSISDBHSA-N 1 0 383.536 3.681 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC23CC[NH+](C)CC3)cc1 ZINC000757388596 929706503 /nfs/dbraw/zinc/70/65/03/929706503.db2.gz NXQAAGBBMRXFBG-UHFFFAOYSA-N 1 0 375.472 3.969 20 30 GHEDRO CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000757589440 929737006 /nfs/dbraw/zinc/73/70/06/929737006.db2.gz KZHVAOSHVOMHHB-UHFFFAOYSA-N 1 0 391.475 3.863 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469309676 929781063 /nfs/dbraw/zinc/78/10/63/929781063.db2.gz OOZVXQAHSPZKFJ-UHFFFAOYSA-N 1 0 392.434 3.556 20 30 GHEDRO C#CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000757761500 929792288 /nfs/dbraw/zinc/79/22/88/929792288.db2.gz MVPCKIWHECWPBJ-NRFANRHFSA-N 1 0 385.458 3.803 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 ZINC000759054046 930258782 /nfs/dbraw/zinc/25/87/82/930258782.db2.gz HNZOZVGGRVCWEE-UHFFFAOYSA-O 1 0 385.459 3.565 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000470163890 930421381 /nfs/dbraw/zinc/42/13/81/930421381.db2.gz PIAPCDKSRZQGOP-JOCHJYFZSA-N 1 0 389.499 3.884 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000470166486 930422740 /nfs/dbraw/zinc/42/27/40/930422740.db2.gz VODVHXBAPZWKLI-QFIPXVFZSA-N 1 0 389.499 3.884 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000780408550 930508509 /nfs/dbraw/zinc/50/85/09/930508509.db2.gz LZWWFCDWGPZXJT-FQEVSTJZSA-N 1 0 390.462 3.591 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN(C)CC[C@H]2CCCC[N@@H+]2C)ccc1Cl ZINC000470368137 930565301 /nfs/dbraw/zinc/56/53/01/930565301.db2.gz XPVMVCCWKUYUIA-GOSISDBHSA-N 1 0 390.959 3.701 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000780677429 930574409 /nfs/dbraw/zinc/57/44/09/930574409.db2.gz GNOWOTYBNLWLRJ-QFBILLFUSA-N 1 0 389.459 3.816 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000780981761 930660336 /nfs/dbraw/zinc/66/03/36/930660336.db2.gz NFRTUVZCMREFRW-HXUWFJFHSA-N 1 0 377.504 3.878 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000470598024 930740580 /nfs/dbraw/zinc/74/05/80/930740580.db2.gz IHRVQPOTGBRZCI-HNNXBMFYSA-N 1 0 396.800 3.658 20 30 GHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C2CC2)O1 ZINC000470906161 931018702 /nfs/dbraw/zinc/01/87/02/931018702.db2.gz LMMSSDREYBIDST-KSSFIOAISA-N 1 0 387.549 3.717 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782230991 931129703 /nfs/dbraw/zinc/12/97/03/931129703.db2.gz JKAAXUAMQGDVGO-HXOBKFHXSA-N 1 0 389.499 3.656 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000557118118 931218791 /nfs/dbraw/zinc/21/87/91/931218791.db2.gz MKWUJRJWEHEYGO-HSZRJFAPSA-N 1 0 391.540 3.775 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000925243294 931714965 /nfs/dbraw/zinc/71/49/65/931714965.db2.gz BTNSXCPZZUETKS-UXPWSPDFSA-N 1 0 399.535 3.554 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(=O)OCC)cc1)[n+]1ccc(C)cc1 ZINC000783957900 931731569 /nfs/dbraw/zinc/73/15/69/931731569.db2.gz IQELBLSTVLYNMN-UHFFFAOYSA-O 1 0 397.520 3.836 20 30 GHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H](C)C1 ZINC000558023720 931805947 /nfs/dbraw/zinc/80/59/47/931805947.db2.gz DUQSZQNKLLKBQA-XGHQBKJUSA-N 1 0 393.487 3.533 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000925976027 931984936 /nfs/dbraw/zinc/98/49/36/931984936.db2.gz JULMHJITVSYVDE-HZPDHXFCSA-N 1 0 390.365 3.704 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000558415733 931990343 /nfs/dbraw/zinc/99/03/43/931990343.db2.gz ALKXTZCCIIPAKV-UHFFFAOYSA-N 1 0 399.922 3.937 20 30 GHEDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)N1CCOCC1 ZINC000558490713 932032802 /nfs/dbraw/zinc/03/28/02/932032802.db2.gz DXNBUNDBCFOOCX-LJQANCHMSA-N 1 0 383.458 3.804 20 30 GHEDRO COc1ccc(N2CCC([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CC2)cc1 ZINC000796744193 932050448 /nfs/dbraw/zinc/05/04/48/932050448.db2.gz LVFXRKDKWMZFIY-UHFFFAOYSA-N 1 0 390.531 3.794 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000926115091 932054733 /nfs/dbraw/zinc/05/47/33/932054733.db2.gz RTDWXRDSUMVMAN-FGTMMUONSA-N 1 0 379.545 3.711 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000796821387 932079771 /nfs/dbraw/zinc/07/97/71/932079771.db2.gz UOZBAYXWRGGKSL-HXUWFJFHSA-N 1 0 389.421 3.869 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000558673696 932157164 /nfs/dbraw/zinc/15/71/64/932157164.db2.gz LEQBXLLKQAZVJP-UHFFFAOYSA-N 1 0 390.535 3.925 20 30 GHEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1Br ZINC000558865256 932281761 /nfs/dbraw/zinc/28/17/61/932281761.db2.gz GENDCAHTLDEXPZ-ZXFUBFMLSA-N 1 0 385.309 3.965 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2Cc2ccccc2)c1 ZINC000558926530 932319584 /nfs/dbraw/zinc/31/95/84/932319584.db2.gz FTBGOSFOUDSEHD-UHFFFAOYSA-N 1 0 398.514 3.540 20 30 GHEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797585451 932334735 /nfs/dbraw/zinc/33/47/35/932334735.db2.gz YXUWIOXILOYBAW-LBPRGKRZSA-N 1 0 377.348 3.718 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000558961231 932339972 /nfs/dbraw/zinc/33/99/72/932339972.db2.gz DAAWFXWOPRCILB-VLIAUNLRSA-N 1 0 394.544 3.974 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000558977154 932350008 /nfs/dbraw/zinc/35/00/08/932350008.db2.gz IDXOMKXLZBMYJV-LJQANCHMSA-N 1 0 395.551 3.842 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[C@H]2CCOC2)cc1C#N ZINC000926959901 932364320 /nfs/dbraw/zinc/36/43/20/932364320.db2.gz CRFHRYLYNMMXBF-CEWLAPEOSA-N 1 0 399.535 3.618 20 30 GHEDRO C[C@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000798366380 932616274 /nfs/dbraw/zinc/61/62/74/932616274.db2.gz ASXXWTNZOHIHHF-FDDCHVKYSA-N 1 0 376.504 3.831 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000798499423 932674538 /nfs/dbraw/zinc/67/45/38/932674538.db2.gz RORMHQWMRABBCF-UHFFFAOYSA-N 1 0 384.907 3.869 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1(CO)CCC1 ZINC000559439934 932677728 /nfs/dbraw/zinc/67/77/28/932677728.db2.gz FFTOVHLXRNBIGP-LJQANCHMSA-N 1 0 389.565 3.604 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)[C@H](C(F)(F)F)C1 ZINC000559806247 932868894 /nfs/dbraw/zinc/86/88/94/932868894.db2.gz MBXHTSAQRSBYSW-NFAWXSAZSA-N 1 0 387.833 3.930 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)c2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000799426048 932999831 /nfs/dbraw/zinc/99/98/31/932999831.db2.gz RWYXIEXUKNVDIZ-SFHVURJKSA-N 1 0 377.488 3.612 20 30 GHEDRO Cc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1C#N ZINC000799425411 933000648 /nfs/dbraw/zinc/00/06/48/933000648.db2.gz VBDXDTHTVXABHD-SFHVURJKSA-N 1 0 375.394 3.918 20 30 GHEDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C[C@@H](C)O2 ZINC000560051170 933036453 /nfs/dbraw/zinc/03/64/53/933036453.db2.gz UMEIRVDOSHCFOE-KHCICDEESA-N 1 0 392.499 3.906 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000560165932 933103433 /nfs/dbraw/zinc/10/34/33/933103433.db2.gz BULLRKXENPTETF-PZJWPPBQSA-N 1 0 397.588 3.510 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC001116035447 933296272 /nfs/dbraw/zinc/29/62/72/933296272.db2.gz COINWUCGOYZBLI-HXUWFJFHSA-N 1 0 375.472 3.855 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000560538729 933325834 /nfs/dbraw/zinc/32/58/34/933325834.db2.gz OCAOKWHIMGIJNT-CEMLEFRQSA-N 1 0 377.488 3.828 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1F ZINC000560580586 933360014 /nfs/dbraw/zinc/36/00/14/933360014.db2.gz YUJMYGBWIFWHKG-SIKLNZKXSA-N 1 0 377.463 3.824 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000560818636 933584057 /nfs/dbraw/zinc/58/40/57/933584057.db2.gz NKFOFMANYFYKCR-LJQANCHMSA-N 1 0 385.552 3.540 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(OCC#N)cc1)C1CC1 ZINC001116672842 933696064 /nfs/dbraw/zinc/69/60/64/933696064.db2.gz JNQYJUHHZDSTAF-OAQYLSRUSA-N 1 0 378.476 3.621 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000560942789 933712016 /nfs/dbraw/zinc/71/20/16/933712016.db2.gz HCBNKYCZKMPPDH-JTDSTZFVSA-N 1 0 380.879 3.679 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001117689689 933984378 /nfs/dbraw/zinc/98/43/78/933984378.db2.gz VFMGCYUISXDJIC-YLJYHZDGSA-N 1 0 383.540 3.696 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc4c(cc3Cl)OCCO4)CC2)cc1 ZINC000561776165 934444808 /nfs/dbraw/zinc/44/48/08/934444808.db2.gz HDCIXSRFGJMZGX-UHFFFAOYSA-N 1 0 397.906 3.691 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC001120512144 934469630 /nfs/dbraw/zinc/46/96/30/934469630.db2.gz ZQYYTPZNABBRIJ-AZUAARDMSA-N 1 0 384.524 3.561 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121473021 934666802 /nfs/dbraw/zinc/66/68/02/934666802.db2.gz DRMHBWNPUVMCHE-FQEVSTJZSA-N 1 0 395.551 3.589 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N3CCC[C@H]3c3ccsc3)n2CC=C)CC1 ZINC001121577562 934703709 /nfs/dbraw/zinc/70/37/09/934703709.db2.gz UZDGAYJVMGHZFL-IBGZPJMESA-N 1 0 381.549 3.680 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121590266 934708978 /nfs/dbraw/zinc/70/89/78/934708978.db2.gz RYEDFRWKVXJCKW-MRXNPFEDSA-N 1 0 398.580 3.777 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001121622055 934717948 /nfs/dbraw/zinc/71/79/48/934717948.db2.gz ITLRZKIPKQFNML-UHFFFAOYSA-N 1 0 384.528 3.520 20 30 GHEDRO C=CCn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001121650179 934726506 /nfs/dbraw/zinc/72/65/06/934726506.db2.gz HZRXDZKFKGVRRL-QHCPKHFHSA-N 1 0 394.567 3.644 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccccc1 ZINC000931993702 934793420 /nfs/dbraw/zinc/79/34/20/934793420.db2.gz LGSAGQLFFFFJRE-WMZHIEFXSA-N 1 0 399.535 3.662 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000932235728 934856790 /nfs/dbraw/zinc/85/67/90/934856790.db2.gz UTVWGLNQVOHFLZ-AEFFLSMTSA-N 1 0 394.441 3.535 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC(C)(C)C1 ZINC001122466586 934876824 /nfs/dbraw/zinc/87/68/24/934876824.db2.gz QLJTYACPJABETC-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO COc1ccc([C@H]2[C@H](COC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C)cc1 ZINC001122499947 934883787 /nfs/dbraw/zinc/88/37/87/934883787.db2.gz QCYGATCNMXNIOY-UGKGYDQZSA-N 1 0 390.483 3.835 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001122609078 934919225 /nfs/dbraw/zinc/91/92/25/934919225.db2.gz GXYIQTAVISERSQ-SESVDKBCSA-N 1 0 396.583 3.962 20 30 GHEDRO Cc1ccc(OCCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC001125052476 935516466 /nfs/dbraw/zinc/51/64/66/935516466.db2.gz FAOVIASXOFXYNE-UHFFFAOYSA-N 1 0 393.531 3.925 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC001125087759 935522907 /nfs/dbraw/zinc/52/29/07/935522907.db2.gz JFGDGHNGEGSKQT-NPPFBWRTSA-N 1 0 393.572 3.711 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000828015478 935527900 /nfs/dbraw/zinc/52/79/00/935527900.db2.gz GENJFBYVHWTFSP-UGKGYDQZSA-N 1 0 376.500 3.729 20 30 GHEDRO N#CCc1ccc(OCc2cccc(NC(=O)C34CCC[NH+]3CCC4)c2)cc1 ZINC001125199457 935547448 /nfs/dbraw/zinc/54/74/48/935547448.db2.gz KSXZWWKDZYVFTL-UHFFFAOYSA-N 1 0 375.472 3.899 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@H]1c1ccccc1 ZINC001137639574 935655481 /nfs/dbraw/zinc/65/54/81/935655481.db2.gz CAFKSKKJUCMFGJ-ZWKOTPCHSA-N 1 0 399.288 3.709 20 30 GHEDRO COc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)ccc1C#N ZINC000829422494 935808844 /nfs/dbraw/zinc/80/88/44/935808844.db2.gz GGUUFSCTRWPVKC-INIZCTEOSA-N 1 0 379.460 3.540 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000829769378 935858668 /nfs/dbraw/zinc/85/86/68/935858668.db2.gz UCKXUBVRXZSYEN-CYBMUJFWSA-N 1 0 377.391 3.582 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000830183944 935910489 /nfs/dbraw/zinc/91/04/89/935910489.db2.gz ZZFCZLWQFUWJHP-FGTMMUONSA-N 1 0 379.545 3.805 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)c(OC(C)C)c(Cl)c3)C2)C1=O ZINC001277152487 1032104660 /nfs/dbraw/zinc/10/46/60/1032104660.db2.gz MXWGYMQKLHIHBJ-HXUWFJFHSA-N 1 0 395.330 3.838 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](c2ccsc2)C1)C(C)C ZINC000468040045 1015179545 /nfs/dbraw/zinc/17/95/45/1015179545.db2.gz SBAXMXXIVLNKLL-OALUTQOASA-N 1 0 377.554 3.530 20 30 GHEDRO N#Cc1ccc([C@H](C(N)=O)N2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC000545172486 1015612362 /nfs/dbraw/zinc/61/23/62/1015612362.db2.gz YJGPALVLFQYQJT-LJQANCHMSA-N 1 0 396.288 3.636 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468711125 1015939058 /nfs/dbraw/zinc/93/90/58/1015939058.db2.gz KDPKUQXXIXUSBO-UHFFFAOYSA-N 1 0 388.427 3.984 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc(OCC)cc2)CC1 ZINC001220837861 1032146748 /nfs/dbraw/zinc/14/67/48/1032146748.db2.gz SIBHQVHTNSJIMZ-HSZRJFAPSA-N 1 0 391.515 3.572 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000469095230 1016465766 /nfs/dbraw/zinc/46/57/66/1016465766.db2.gz UFJLKVFQDMDGIZ-UHFFFAOYSA-N 1 0 388.471 3.726 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1)c1ccccc1 ZINC001221360456 1032385132 /nfs/dbraw/zinc/38/51/32/1032385132.db2.gz JJWMSJNLAJNOIN-NFBKMPQASA-N 1 0 388.515 3.548 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCNc2cc(Br)ccc21 ZINC001221383671 1032391684 /nfs/dbraw/zinc/39/16/84/1032391684.db2.gz AZWPECMRSYQJJX-JKSUJKDBSA-N 1 0 380.330 3.886 20 30 GHEDRO CSc1ccc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC001221463896 1032425494 /nfs/dbraw/zinc/42/54/94/1032425494.db2.gz FACNNLMORPPORP-HZPDHXFCSA-N 1 0 388.581 3.836 20 30 GHEDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nc2ccc(C)cc2c(Cl)c1C#N ZINC001155236905 1032466480 /nfs/dbraw/zinc/46/64/80/1032466480.db2.gz OFWZJCMVJWWCJQ-QGZVFWFLSA-N 1 0 388.899 3.611 20 30 GHEDRO COc1c(Cl)cnc(O[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c1C#N ZINC001227556131 1032462906 /nfs/dbraw/zinc/46/29/06/1032462906.db2.gz AQQFLVCLJUYXHQ-MNZLEMJZSA-N 1 0 383.879 3.905 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000925549687 1017100602 /nfs/dbraw/zinc/10/06/02/1017100602.db2.gz ITGNFWNARIJXGC-NVXWUHKLSA-N 1 0 387.528 3.696 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](CO)c2ccccc2Cl)c(-c2ccccc2)n1 ZINC000558119963 1017118665 /nfs/dbraw/zinc/11/86/65/1017118665.db2.gz PMDJNEHMCKBVSI-LJQANCHMSA-N 1 0 394.906 3.983 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000558278900 1017156733 /nfs/dbraw/zinc/15/67/33/1017156733.db2.gz RBAMALNYROCOTR-BBRMVZONSA-N 1 0 396.413 3.590 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000927718969 1017445435 /nfs/dbraw/zinc/44/54/35/1017445435.db2.gz XLKBMLHOLCKAQN-XYELWLDHSA-N 1 0 380.488 3.692 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]ccc21 ZINC001155786702 1032705144 /nfs/dbraw/zinc/70/51/44/1032705144.db2.gz FREXHQFKBDFCTD-INIZCTEOSA-N 1 0 398.507 3.895 20 30 GHEDRO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929633010 1017718326 /nfs/dbraw/zinc/71/83/26/1017718326.db2.gz QRSSQIXKTFZFHZ-KLAILNCOSA-N 1 0 385.537 3.807 20 30 GHEDRO COCCOCc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000561737309 1017934060 /nfs/dbraw/zinc/93/40/60/1017934060.db2.gz OASUEFFSPKSACB-OAQYLSRUSA-N 1 0 397.494 3.619 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)cc1 ZINC001204301175 1032743037 /nfs/dbraw/zinc/74/30/37/1032743037.db2.gz QNMSAXCJPBTVOQ-WXFUMESZSA-N 1 0 394.515 3.985 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000562623689 1018424630 /nfs/dbraw/zinc/42/46/30/1018424630.db2.gz IWCAVAVDKOSGDW-UHFFFAOYSA-N 1 0 398.898 3.772 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC000932561412 1018460358 /nfs/dbraw/zinc/46/03/58/1018460358.db2.gz QCKQNJULSNQCEF-JOCHJYFZSA-N 1 0 376.504 3.923 20 30 GHEDRO Cn1c(Cl)c(Cl)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000778115143 1018604603 /nfs/dbraw/zinc/60/46/03/1018604603.db2.gz YDZRWVLYNCHFIZ-UHFFFAOYSA-N 1 0 391.302 3.620 20 30 GHEDRO C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000932918663 1018753014 /nfs/dbraw/zinc/75/30/14/1018753014.db2.gz KDEOGZDFHJFZKL-SJLPKXTDSA-N 1 0 382.957 3.870 20 30 GHEDRO OCc1ccc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 ZINC000932947929 1018779920 /nfs/dbraw/zinc/77/99/20/1018779920.db2.gz IHLUMRHFTATWIN-RYUDHWBXSA-N 1 0 389.286 3.782 20 30 GHEDRO ON=C(Nc1ncccc1C[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC001155914658 1032791659 /nfs/dbraw/zinc/79/16/59/1032791659.db2.gz KZAURLQUOXDOBD-UHFFFAOYSA-N 1 0 380.370 3.824 20 30 GHEDRO O=C1C=COC2(CC[NH+](Cc3c(-c4ccccc4)nc4sccn34)CC2)C1 ZINC000933653926 1018880476 /nfs/dbraw/zinc/88/04/76/1018880476.db2.gz LJDAGKRZYSVYDT-UHFFFAOYSA-N 1 0 379.485 3.901 20 30 GHEDRO C[N@H+](Cc1ccc(NC(=NO)c2ccc(OC(F)(F)F)cc2)nc1)C1CC1 ZINC001155914422 1032792002 /nfs/dbraw/zinc/79/20/02/1032792002.db2.gz PAWWSJPEIGYIGC-UHFFFAOYSA-N 1 0 380.370 3.822 20 30 GHEDRO C[C@H](NC(=O)C[NH+]1CCC(CCC#N)CC1)c1ccc(Br)cc1 ZINC000564915566 1019128721 /nfs/dbraw/zinc/12/87/21/1019128721.db2.gz IUPOVXHMCREPRI-AWEZNQCLSA-N 1 0 378.314 3.642 20 30 GHEDRO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4ccccc4C#N)C[C@H]2C3)c1 ZINC001204367154 1032809688 /nfs/dbraw/zinc/80/96/88/1032809688.db2.gz AREHQBVUNIZZRB-CTNGQTDRSA-N 1 0 384.483 3.739 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001155990203 1032825704 /nfs/dbraw/zinc/82/57/04/1032825704.db2.gz VLQZDUPMYDYOQF-UHFFFAOYSA-N 1 0 389.242 3.839 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)cc1N(C)C ZINC000568965387 1019454457 /nfs/dbraw/zinc/45/44/57/1019454457.db2.gz HYISEMYERIRJRB-IRXDYDNUSA-N 1 0 383.540 3.707 20 30 GHEDRO N#CCCN(C(=O)CN(CC[NH+]1CCCCCC1)C1CCC1)c1ccccc1 ZINC000571949930 1019730495 /nfs/dbraw/zinc/73/04/95/1019730495.db2.gz RYUHVLPVPKNYIS-UHFFFAOYSA-N 1 0 382.552 3.664 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000574663299 1019896440 /nfs/dbraw/zinc/89/64/40/1019896440.db2.gz CAFTXDMZUMCHNC-GOEBONIOSA-N 1 0 378.423 3.546 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1C ZINC000575944655 1019959839 /nfs/dbraw/zinc/95/98/39/1019959839.db2.gz HDGRUYRRWVTCTO-FQEVSTJZSA-N 1 0 399.922 3.917 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000577129585 1020130150 /nfs/dbraw/zinc/13/01/50/1020130150.db2.gz ASQLQAPCHSPYPH-UHFFFAOYSA-N 1 0 397.544 3.798 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000577512332 1020221010 /nfs/dbraw/zinc/22/10/10/1020221010.db2.gz LCINZLJYFVTHAE-UHFFFAOYSA-N 1 0 393.457 3.671 20 30 GHEDRO COc1cc(OC)cc(Oc2cccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)c2)c1 ZINC000600741905 1020230674 /nfs/dbraw/zinc/23/06/74/1020230674.db2.gz RRBXPXJXJFUOMH-KRWDZBQOSA-N 1 0 382.460 3.640 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(F)cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000189715282 1020491116 /nfs/dbraw/zinc/49/11/16/1020491116.db2.gz HIQORGDUABMYJA-SFTDATJTSA-N 1 0 394.450 3.805 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc4c(c3)CCO4)C[C@@H]2c2ccccc2)C1=O ZINC001204490326 1032923137 /nfs/dbraw/zinc/92/31/37/1032923137.db2.gz VOUXFBGPFZNYSJ-RDGATRHJSA-N 1 0 388.511 3.626 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000779356840 1020740755 /nfs/dbraw/zinc/74/07/55/1020740755.db2.gz IOVVHMFEPPMJDI-QUCCMNQESA-N 1 0 394.544 3.912 20 30 GHEDRO CC(C)[C@](C)([NH2+]CCC(=O)N(C)CCC#N)c1ccc(Br)cc1 ZINC000192373409 1020867086 /nfs/dbraw/zinc/86/70/86/1020867086.db2.gz GUZKTNCIKUTYRC-SFHVURJKSA-N 1 0 380.330 3.672 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3nc(C(C)C)ccc3C#N)CC2)cc1 ZINC001156257471 1032945507 /nfs/dbraw/zinc/94/55/07/1032945507.db2.gz UTRGTXMERFCUMP-UHFFFAOYSA-N 1 0 393.535 3.709 20 30 GHEDRO COCCOc1ncccc1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303911454 1021147754 /nfs/dbraw/zinc/14/77/54/1021147754.db2.gz ZPXDESODJFTLPC-GFCCVEGCSA-N 1 0 397.306 3.579 20 30 GHEDRO C[C@H](NC(=[NH2+])NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000303910726 1021147929 /nfs/dbraw/zinc/14/79/29/1021147929.db2.gz ZDKVEVVKJBPYMQ-WDEREUQCSA-N 1 0 397.272 3.843 20 30 GHEDRO CCOc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1F ZINC000304747264 1021153718 /nfs/dbraw/zinc/15/37/18/1021153718.db2.gz GETTWLRCTBLCDW-UHFFFAOYSA-N 1 0 385.361 3.728 20 30 GHEDRO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000900512914 1021327186 /nfs/dbraw/zinc/32/71/86/1021327186.db2.gz PWLCZFSLLWPCDQ-QXMHVHEDSA-N 1 0 377.488 3.879 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc(C#N)ccc2F)CC1 ZINC000834754590 1021440929 /nfs/dbraw/zinc/44/09/29/1021440929.db2.gz FCJJDLSERVLZBO-UHFFFAOYSA-N 1 0 380.467 3.728 20 30 GHEDRO C[C@H](C#N)OCC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801919304 1021454974 /nfs/dbraw/zinc/45/49/74/1021454974.db2.gz IEPIDZKETXTMEM-UYAOXDASSA-N 1 0 387.524 3.817 20 30 GHEDRO C[C@H](C#N)OCC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801919303 1021455167 /nfs/dbraw/zinc/45/51/67/1021455167.db2.gz IEPIDZKETXTMEM-QUCCMNQESA-N 1 0 387.524 3.817 20 30 GHEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1cc(C#N)ccn1 ZINC000902764233 1021533777 /nfs/dbraw/zinc/53/37/77/1021533777.db2.gz AJVWMEQCSRYWKY-GDBMZVCRSA-N 1 0 385.309 3.893 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140399247 1021563524 /nfs/dbraw/zinc/56/35/24/1021563524.db2.gz SPFREMQVFSFMHD-PGRDOPGGSA-N 1 0 383.467 3.609 20 30 GHEDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437582 1021705281 /nfs/dbraw/zinc/70/52/81/1021705281.db2.gz LNKZNAKFYWDEAU-NVXWUHKLSA-N 1 0 383.492 3.889 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)[C@@H]1CO ZINC001140437765 1021707296 /nfs/dbraw/zinc/70/72/96/1021707296.db2.gz PWOPNKSPTNSRBX-FOIQADDNSA-N 1 0 383.492 3.889 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CCC(C)(C#N)CC3)cc2)CC1 ZINC001140481618 1021784155 /nfs/dbraw/zinc/78/41/55/1021784155.db2.gz XOZWQRDXVUMXCB-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2(CO)CCCCC2)cc1OC ZINC000678970105 1021946817 /nfs/dbraw/zinc/94/68/17/1021946817.db2.gz MTWOQNJJSWFJSF-UHFFFAOYSA-N 1 0 384.314 3.807 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)c1 ZINC001140674976 1022231772 /nfs/dbraw/zinc/23/17/72/1022231772.db2.gz PRKLJCMRCHMWSO-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO CC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140755863 1022445164 /nfs/dbraw/zinc/44/51/64/1022445164.db2.gz VZDKBSKSRXOTBF-CQSZACIVSA-N 1 0 379.451 3.915 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc(O)cc(Cl)c4)C3)CC2=O)c1 ZINC001140789741 1022535133 /nfs/dbraw/zinc/53/51/33/1022535133.db2.gz YMKGWCOCQHRRBL-NRFANRHFSA-N 1 0 381.863 3.546 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1Cl ZINC001140814839 1022612539 /nfs/dbraw/zinc/61/25/39/1022612539.db2.gz REWFGBDWAKJELT-UHFFFAOYSA-N 1 0 385.817 3.588 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000754402929 1022676288 /nfs/dbraw/zinc/67/62/88/1022676288.db2.gz NMIOPLZUOOGLGK-MRXNPFEDSA-N 1 0 379.888 3.635 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000754723313 1022859239 /nfs/dbraw/zinc/85/92/39/1022859239.db2.gz NZYZYBMBQXXZHF-QGZVFWFLSA-N 1 0 376.497 3.618 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)c1O ZINC000754727050 1022862227 /nfs/dbraw/zinc/86/22/27/1022862227.db2.gz HPWHIJROBLIOIT-UHFFFAOYSA-N 1 0 382.504 3.850 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001156529259 1033087095 /nfs/dbraw/zinc/08/70/95/1033087095.db2.gz FFXPNIVWLOMFBT-FPQGOQEYSA-N 1 0 391.928 3.909 20 30 GHEDRO C#C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000836375591 1022926554 /nfs/dbraw/zinc/92/65/54/1022926554.db2.gz SOMZASPNYQAQQY-UYJHFMRCSA-N 1 0 392.341 3.543 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000836496618 1023032679 /nfs/dbraw/zinc/03/26/79/1023032679.db2.gz FUBXZSLBNSYVGC-RBUKOAKNSA-N 1 0 392.503 3.963 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000755119499 1023082123 /nfs/dbraw/zinc/08/21/23/1023082123.db2.gz IGQCAJSHVSRDSU-UVJWIIJLSA-N 1 0 398.466 3.766 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1Oc2ccccc2[C@H]1C ZINC000755119496 1023082308 /nfs/dbraw/zinc/08/23/08/1023082308.db2.gz IGQCAJSHVSRDSU-QEHAJPSTSA-N 1 0 398.466 3.766 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc4c5c(c3)CCCN5CCC4)C2)CC1 ZINC001141074249 1023432513 /nfs/dbraw/zinc/43/25/13/1023432513.db2.gz DCXZXAKOAQUKKN-UHFFFAOYSA-N 1 0 395.547 3.606 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000756046250 1023495633 /nfs/dbraw/zinc/49/56/33/1023495633.db2.gz OAUCQENNJMNCDH-IFMALSPDSA-N 1 0 375.476 3.625 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3sc(N)c(C#N)c3Cl)C2)C1 ZINC001141107164 1023515683 /nfs/dbraw/zinc/51/56/83/1023515683.db2.gz RLXGDPKQUCVKLU-SFHVURJKSA-N 1 0 396.944 3.688 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)CC1 ZINC001141140186 1023569338 /nfs/dbraw/zinc/56/93/38/1023569338.db2.gz IXISGBRXJQXVET-UHFFFAOYSA-N 1 0 399.535 3.516 20 30 GHEDRO C#CC[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000756995563 1023902274 /nfs/dbraw/zinc/90/22/74/1023902274.db2.gz JCBUFSSLSOEBMA-JOCHJYFZSA-N 1 0 398.934 3.905 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000757016969 1023908676 /nfs/dbraw/zinc/90/86/76/1023908676.db2.gz GHTWWZBULJUEGX-JTHBVZDNSA-N 1 0 375.516 3.962 20 30 GHEDRO C#CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000757035381 1023914228 /nfs/dbraw/zinc/91/42/28/1023914228.db2.gz MNHXXMGBMMTWLZ-VJBMBRPKSA-N 1 0 375.516 3.961 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccnc3ccc(OC)cc13)C2 ZINC001141147447 1023968847 /nfs/dbraw/zinc/96/88/47/1023968847.db2.gz FCQZOAPSKVXVPW-HSZRJFAPSA-N 1 0 379.504 3.777 20 30 GHEDRO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001141164760 1023992424 /nfs/dbraw/zinc/99/24/24/1023992424.db2.gz JPFQPIJBWMSJBV-QHCPKHFHSA-N 1 0 375.447 3.598 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccc(OC)c3F)C2)CC1 ZINC001141218602 1024169038 /nfs/dbraw/zinc/16/90/38/1024169038.db2.gz VKZXHICWRAERQZ-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(-n3ccnc3)c1)[C@H]2CC ZINC001141239250 1024240535 /nfs/dbraw/zinc/24/05/35/1024240535.db2.gz KWTQTOSMVGZMFU-GMAHTHKFSA-N 1 0 378.520 3.794 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000830958805 1024274353 /nfs/dbraw/zinc/27/43/53/1024274353.db2.gz XOXOIFGYDPKSRN-UVUJQTEASA-N 1 0 383.536 3.646 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001141328984 1024573891 /nfs/dbraw/zinc/57/38/91/1024573891.db2.gz ZGHAGXBBUOPGNA-NRFANRHFSA-N 1 0 391.515 3.933 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@]2(C#N)CC3CCC2CC3)CCOCC1 ZINC000831586265 1024664952 /nfs/dbraw/zinc/66/49/52/1024664952.db2.gz NHZKUCSGRCFHAF-HQOBLLPJSA-N 1 0 395.547 3.504 20 30 GHEDRO C#CCOc1ccc(CN2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)cc1OC ZINC001138346627 1024708545 /nfs/dbraw/zinc/70/85/45/1024708545.db2.gz JZQLBZFVSFKODC-UHFFFAOYSA-N 1 0 396.506 3.943 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)c(OC)cc1C)C2 ZINC001138437943 1024847756 /nfs/dbraw/zinc/84/77/56/1024847756.db2.gz SUYGNGUUWVZEIU-FCHUYYIVSA-N 1 0 375.509 3.586 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(OC3CCOCC3)cc1)C2 ZINC001141405534 1024914258 /nfs/dbraw/zinc/91/42/58/1024914258.db2.gz UQXKFNJPKLTJNP-DEOSSOPVSA-N 1 0 398.547 3.778 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC3CCOCC3)cc1)C2 ZINC001141410299 1024923483 /nfs/dbraw/zinc/92/34/83/1024923483.db2.gz HGRNPIWSVPYTIK-PKTZIBPZSA-N 1 0 387.520 3.571 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)cc1 ZINC001138557676 1025019461 /nfs/dbraw/zinc/01/94/61/1025019461.db2.gz FBZFAFAUHZHRPZ-VWNXMTODSA-N 1 0 376.500 3.913 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559444 1025021378 /nfs/dbraw/zinc/02/13/78/1025021378.db2.gz VCODACFEQNAKIB-FTBPSBKWSA-N 1 0 389.543 3.826 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)cc1 ZINC001138559410 1025021591 /nfs/dbraw/zinc/02/15/91/1025021591.db2.gz TXPDKVGOPWRNHV-VWLOTQADSA-N 1 0 388.511 3.845 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1 ZINC001138559545 1025022207 /nfs/dbraw/zinc/02/22/07/1025022207.db2.gz OMIJTPWFXRDHRE-HSZRJFAPSA-N 1 0 394.540 3.888 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)C2 ZINC001138573973 1025050029 /nfs/dbraw/zinc/05/00/29/1025050029.db2.gz VAMFXBDDZGICFU-DENIHFKCSA-N 1 0 375.509 3.809 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnn(-c3ccccc3)c1)[C@H]2CC ZINC001138600590 1025084739 /nfs/dbraw/zinc/08/47/39/1025084739.db2.gz YAKNQNNFOWDXLZ-GMAHTHKFSA-N 1 0 378.520 3.794 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1O ZINC001138627203 1025127325 /nfs/dbraw/zinc/12/73/25/1025127325.db2.gz ZJTPAUPWMRGPRI-NRFANRHFSA-N 1 0 380.488 3.718 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)c1O ZINC001138627762 1025128320 /nfs/dbraw/zinc/12/83/20/1025128320.db2.gz OIZPCAGKTOPKOO-IBGZPJMESA-N 1 0 398.547 3.504 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1O ZINC001138627583 1025128979 /nfs/dbraw/zinc/12/89/79/1025128979.db2.gz MLFNQFYFXGLXIZ-WMTXJRDZSA-N 1 0 394.515 3.712 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3cccn3-c3ccccc3F)CC2)nc1 ZINC001138632651 1025137727 /nfs/dbraw/zinc/13/77/27/1025137727.db2.gz DRHSHBCPNZWFQO-UHFFFAOYSA-N 1 0 375.451 3.595 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C2)C1 ZINC000838486663 1025168511 /nfs/dbraw/zinc/16/85/11/1025168511.db2.gz LLXXUHWOFIGTCA-QFIPXVFZSA-N 1 0 394.544 3.914 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001138661259 1025181538 /nfs/dbraw/zinc/18/15/38/1025181538.db2.gz QTZZLEYFURLKEE-ZJSXRUAMSA-N 1 0 376.500 3.747 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138742934 1025282778 /nfs/dbraw/zinc/28/27/78/1025282778.db2.gz JEDYKRBEBYZMBY-PZJWPPBQSA-N 1 0 395.927 3.931 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnn1[C@H]1CCCCO1)[C@H]2CC ZINC001138780301 1025351986 /nfs/dbraw/zinc/35/19/86/1025351986.db2.gz YQMOJCBMICVPIX-NNWRFLSQSA-N 1 0 386.540 3.504 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccnc(Cl)c3)C[C@@H]2c2ccccc2)C1=O ZINC001138817342 1025415571 /nfs/dbraw/zinc/41/55/71/1025415571.db2.gz PXFXWAXTMYDZAJ-KNQAVFIVSA-N 1 0 381.907 3.739 20 30 GHEDRO COc1cccc(CC2([NH3+])CCN(c3nc(C#N)c(Cl)cc3Cl)CC2)c1 ZINC001162050085 1025564272 /nfs/dbraw/zinc/56/42/72/1025564272.db2.gz VKCPUQJCZWSWGZ-UHFFFAOYSA-N 1 0 391.302 3.809 20 30 GHEDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000839145789 1025640391 /nfs/dbraw/zinc/64/03/91/1025640391.db2.gz TUNFMQPKMBEDJY-QFBILLFUSA-N 1 0 385.471 3.620 20 30 GHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001141590981 1025758654 /nfs/dbraw/zinc/75/86/54/1025758654.db2.gz XRWYYHAFAFOFIV-UHFFFAOYSA-N 1 0 390.487 3.902 20 30 GHEDRO N#CCCN(C(=O)c1ccc(NC[C@]2(F)CCCC[NH2+]C2)nc1)c1ccccc1 ZINC001162579711 1025805906 /nfs/dbraw/zinc/80/59/06/1025805906.db2.gz HVRJXOBFXGHLKR-QFIPXVFZSA-N 1 0 395.482 3.536 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cscc1C#N ZINC000839355141 1025840091 /nfs/dbraw/zinc/84/00/91/1025840091.db2.gz MUNMTJLCRKYUDD-UHFFFAOYSA-N 1 0 385.489 3.679 20 30 GHEDRO COc1ccc(-c2nccc(N(CC[NH+](C)C)Cc3ccc(C#N)cc3)n2)cc1 ZINC001162741918 1025900027 /nfs/dbraw/zinc/90/00/27/1025900027.db2.gz IIAWTLLFMSVVQS-UHFFFAOYSA-N 1 0 387.487 3.592 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccccc2OCC#N)CC1 ZINC000839432456 1025921922 /nfs/dbraw/zinc/92/19/22/1025921922.db2.gz OYJMWIUKHDVBGP-UHFFFAOYSA-N 1 0 399.878 3.968 20 30 GHEDRO N#Cc1cnc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c2sccc21 ZINC001162899238 1025958554 /nfs/dbraw/zinc/95/85/54/1025958554.db2.gz CONFJVVDZFZQSF-SFHVURJKSA-N 1 0 378.501 3.737 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cn(C)c3ccc(OC)cc13)C2 ZINC001139146429 1025958894 /nfs/dbraw/zinc/95/88/94/1025958894.db2.gz KMFFCWIDCOBDGQ-PKTZIBPZSA-N 1 0 384.520 3.761 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162964972 1025989916 /nfs/dbraw/zinc/98/99/16/1025989916.db2.gz DFKZMUQNWMRSNQ-ZDUSSCGKSA-N 1 0 398.732 3.935 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(F)c2c1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966276 1025990673 /nfs/dbraw/zinc/99/06/73/1025990673.db2.gz SIKKMAILSYPKTG-ZDUSSCGKSA-N 1 0 388.874 3.860 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C(F)(F)F)C3)sc2C1 ZINC000839532809 1026024118 /nfs/dbraw/zinc/02/41/18/1026024118.db2.gz DASNDODAHJPFRH-NEPJUHHUSA-N 1 0 385.455 3.957 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H]2C[NH2+]Cc3ccsc32)n1 ZINC001163226250 1026095798 /nfs/dbraw/zinc/09/57/98/1026095798.db2.gz DLYYSKTYIQJCQA-GPFRVAHYSA-N 1 0 376.551 3.589 20 30 GHEDRO COc1cccc([C@H](C[NH3+])Nc2nc(-c3ccccc3)nc(SC)c2C#N)c1 ZINC001163310112 1026136414 /nfs/dbraw/zinc/13/64/14/1026136414.db2.gz SFBWXSQVSFFSSO-SFHVURJKSA-N 1 0 391.500 3.858 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@@H](F)[C@](O)(C(F)(F)F)CC3)cc2)c1 ZINC001139401675 1026273797 /nfs/dbraw/zinc/27/37/97/1026273797.db2.gz FLEALTCWFAURIO-MOPGFXCFSA-N 1 0 393.384 3.848 20 30 GHEDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)nc1 ZINC001139406605 1026278687 /nfs/dbraw/zinc/27/86/87/1026278687.db2.gz WNTNVOHNWQWVHN-NRFANRHFSA-N 1 0 386.455 3.677 20 30 GHEDRO CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1=O ZINC001139426498 1026297773 /nfs/dbraw/zinc/29/77/73/1026297773.db2.gz WMPQAAFXYDRXJZ-HSZRJFAPSA-N 1 0 390.487 3.580 20 30 GHEDRO Cc1cc(N2CCN(Cc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)cc[nH+]1 ZINC001139428410 1026299227 /nfs/dbraw/zinc/29/92/27/1026299227.db2.gz IWLWSGXFUBSGHU-UHFFFAOYSA-N 1 0 385.471 3.771 20 30 GHEDRO N#Cc1ccc(CN2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cc1F ZINC001139527566 1026385009 /nfs/dbraw/zinc/38/50/09/1026385009.db2.gz GFIGPLPOLGCDDZ-SIKLNZKXSA-N 1 0 381.451 3.542 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1F ZINC001139528004 1026387192 /nfs/dbraw/zinc/38/71/92/1026387192.db2.gz KCNIRPRNRIFNFR-PKTZIBPZSA-N 1 0 395.478 3.680 20 30 GHEDRO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cc(C#N)ccc1F)CC2 ZINC001139647480 1026508162 /nfs/dbraw/zinc/50/81/62/1026508162.db2.gz IXNMQBDVBWCGRM-IBGZPJMESA-N 1 0 383.467 3.546 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC001139648891 1026510362 /nfs/dbraw/zinc/51/03/62/1026510362.db2.gz GCPIYJDLYNHOJT-HSZRJFAPSA-N 1 0 377.463 3.844 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001139649042 1026511115 /nfs/dbraw/zinc/51/11/15/1026511115.db2.gz KYMHDMBXGJHJRL-QTGUNEKASA-N 1 0 378.495 3.825 20 30 GHEDRO C[C@@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164477353 1026521861 /nfs/dbraw/zinc/52/18/61/1026521861.db2.gz DIISMYLOTGKUNV-TZMCWYRMSA-N 1 0 391.853 3.777 20 30 GHEDRO C[C@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164477351 1026522409 /nfs/dbraw/zinc/52/24/09/1026522409.db2.gz DIISMYLOTGKUNV-JSGCOSHPSA-N 1 0 391.853 3.777 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139706172 1026551478 /nfs/dbraw/zinc/55/14/78/1026551478.db2.gz NHZHSKQOUZKFNA-UHFFFAOYSA-N 1 0 386.455 3.963 20 30 GHEDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2nc3ccccc3c(Cl)c2C#N)CC1 ZINC001165110402 1026611816 /nfs/dbraw/zinc/61/18/16/1026611816.db2.gz CORXASZFTHFJHI-MRXNPFEDSA-N 1 0 384.911 3.839 20 30 GHEDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2nc(-c3cccs3)ccc2C#N)CC1 ZINC001165114051 1026614262 /nfs/dbraw/zinc/61/42/62/1026614262.db2.gz ZSLDMZGXRVEEGV-SFHVURJKSA-N 1 0 382.533 3.761 20 30 GHEDRO Cc1nc(C#N)cc(N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001165140361 1026631001 /nfs/dbraw/zinc/63/10/01/1026631001.db2.gz ODEDNSGFEPKARI-HSZRJFAPSA-N 1 0 383.499 3.938 20 30 GHEDRO C[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165200979 1026662404 /nfs/dbraw/zinc/66/24/04/1026662404.db2.gz FCHIXFUZLIPSMT-UXHICEINSA-N 1 0 390.531 3.753 20 30 GHEDRO Cn1c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc2ccccc21 ZINC001139869962 1026683025 /nfs/dbraw/zinc/68/30/25/1026683025.db2.gz BGRJZRNQLVNDDJ-XMMPIXPASA-N 1 0 384.483 3.679 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165268412 1026686841 /nfs/dbraw/zinc/68/68/41/1026686841.db2.gz APYQMJVLTCTJLF-QGZVFWFLSA-N 1 0 381.518 3.821 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165305172 1026698329 /nfs/dbraw/zinc/69/83/29/1026698329.db2.gz JYAMJAMHTLFSPV-QGZVFWFLSA-N 1 0 387.409 3.669 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001165307954 1026700273 /nfs/dbraw/zinc/70/02/73/1026700273.db2.gz UCBWLEBQBYWRNZ-INIZCTEOSA-N 1 0 381.518 3.964 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3cnn(C)c3c1)CC2 ZINC001139903695 1026718235 /nfs/dbraw/zinc/71/82/35/1026718235.db2.gz CRCPBWUSZYYYOB-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001165416238 1026721670 /nfs/dbraw/zinc/72/16/70/1026721670.db2.gz CALKNHQGXWOJLJ-GCJKJVERSA-N 1 0 389.890 3.738 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001165418886 1026722908 /nfs/dbraw/zinc/72/29/08/1026722908.db2.gz WCVVKYSPLBKWIR-QPPBQGQZSA-N 1 0 381.483 3.599 20 30 GHEDRO COc1cc2cc(C#N)c(NCC3C[NH+](Cc4ccccc4)C3)nc2cc1OC ZINC001165427611 1026724146 /nfs/dbraw/zinc/72/41/46/1026724146.db2.gz RKERQVPIICPZSM-UHFFFAOYSA-N 1 0 388.471 3.668 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C)nc3Br)CC2)C1=O ZINC001276406433 1026729290 /nfs/dbraw/zinc/72/92/90/1026729290.db2.gz FRWMWFLFXRVXOE-IBGZPJMESA-N 1 0 392.341 3.543 20 30 GHEDRO COCc1nn(-c2ncc(C#N)c3sc(-c4ccccc4)cc32)c2c1C[NH2+]C2 ZINC001165634059 1026780415 /nfs/dbraw/zinc/78/04/15/1026780415.db2.gz ZRZINPKDNYDZBK-UHFFFAOYSA-N 1 0 387.468 3.770 20 30 GHEDRO CC(C)(Nc1ccccc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1)c1ccc(C#N)cc1 ZINC001165761392 1026824523 /nfs/dbraw/zinc/82/45/23/1026824523.db2.gz WTDWPBYBYWMHSH-WGSAOQKQSA-N 1 0 376.504 3.905 20 30 GHEDRO Cc1cccc(N(c2ncc3c(c2C#N)CCCC3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165767267 1026827525 /nfs/dbraw/zinc/82/75/25/1026827525.db2.gz QODJXRBSZVUJAV-YKSBVNFPSA-N 1 0 388.515 3.800 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H]21 ZINC001140117486 1026898530 /nfs/dbraw/zinc/89/85/30/1026898530.db2.gz SGPNJWFNDCNFQP-QKYXUNIQSA-N 1 0 380.492 3.775 20 30 GHEDRO CSc1nc(Cl)cc(N2CCCN(Cc3ccc(C#N)cc3F)CC2)n1 ZINC001140139771 1026914069 /nfs/dbraw/zinc/91/40/69/1026914069.db2.gz KQVADVVGEYDTOA-UHFFFAOYSA-N 1 0 391.903 3.575 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4[nH+]ccc5[nH]ccc54)C3)C2)c1 ZINC001166451539 1027004793 /nfs/dbraw/zinc/00/47/93/1027004793.db2.gz OBNOXAJDCKBNEI-QHCPKHFHSA-N 1 0 387.487 3.558 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cn4cccc(C)c4n3)C2)CC1 ZINC001209733103 1027127347 /nfs/dbraw/zinc/12/73/47/1027127347.db2.gz HGHBQMBKEYNKJN-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c[nH]nc4-c4ccccc4)C3)CC2=O)c1 ZINC001209765134 1027165508 /nfs/dbraw/zinc/16/55/08/1027165508.db2.gz XWHWVDZHYVSPOZ-DEOSSOPVSA-N 1 0 397.482 3.577 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(I)cc1 ZINC001461207970 1069442940 /nfs/dbraw/zinc/44/29/40/1069442940.db2.gz ZWHUBNCAYIIDCR-UHFFFAOYSA-N 1 0 377.225 3.593 20 30 GHEDRO COc1cccc(OCCC[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001461220748 1069448484 /nfs/dbraw/zinc/44/84/84/1069448484.db2.gz ZMEFSDWLGAAACW-UHFFFAOYSA-N 1 0 375.266 3.888 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(O)c(OC)c1 ZINC000840176661 1027312743 /nfs/dbraw/zinc/31/27/43/1027312743.db2.gz GROASTIPATUTIX-HSZRJFAPSA-N 1 0 379.456 3.739 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001203760893 1027583682 /nfs/dbraw/zinc/58/36/82/1027583682.db2.gz ROASQRMGGXPZBM-DEOSSOPVSA-N 1 0 386.499 3.549 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC001203762921 1027586094 /nfs/dbraw/zinc/58/60/94/1027586094.db2.gz YBUBIXLVVHXAKF-PKTZIBPZSA-N 1 0 377.488 3.541 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)C1 ZINC001203855070 1027661376 /nfs/dbraw/zinc/66/13/76/1027661376.db2.gz PYNVJXUOZSPILK-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO CSc1nc(CN2CCN(c3cc(C)[nH+]c4ccccc43)CC2)ccc1C#N ZINC001141931542 1027690329 /nfs/dbraw/zinc/69/03/29/1027690329.db2.gz CUFMJDXXPQTKIM-UHFFFAOYSA-N 1 0 389.528 3.854 20 30 GHEDRO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001203902661 1027696781 /nfs/dbraw/zinc/69/67/81/1027696781.db2.gz JLSPVOJGIMYMHF-VWLOTQADSA-N 1 0 396.494 3.998 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)cc1 ZINC001203907325 1027698042 /nfs/dbraw/zinc/69/80/42/1027698042.db2.gz UTFMKJSAWNFEDV-UHFFFAOYSA-N 1 0 384.483 3.854 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC001203923542 1027717025 /nfs/dbraw/zinc/71/70/25/1027717025.db2.gz TYZZOSFPVDPOMP-UHFFFAOYSA-N 1 0 385.508 3.646 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](Cc2nccs2)C1)C(C)C ZINC001211221485 1027842215 /nfs/dbraw/zinc/84/22/15/1027842215.db2.gz FDTVJUYWFOWVHM-RTBURBONSA-N 1 0 390.597 3.806 20 30 GHEDRO Cc1cc(Cl)cc(-c2noc([C@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)c1 ZINC001211379854 1027931292 /nfs/dbraw/zinc/93/12/92/1027931292.db2.gz PRBHRGZOUHFTHY-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2sc(SC3CCCC3)nc2C)CC1 ZINC000841397441 1028567078 /nfs/dbraw/zinc/56/70/78/1028567078.db2.gz NIRMPGDENBUTPB-UHFFFAOYSA-N 1 0 391.606 3.633 20 30 GHEDRO C[NH+](C)C[C@](C)(CN=Nc1cc(CO)ccc1Br)c1ccccc1 ZINC000841655462 1028802423 /nfs/dbraw/zinc/80/24/23/1028802423.db2.gz VPJCQAJAANWPLN-IBGZPJMESA-N 1 0 390.325 3.859 20 30 GHEDRO CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CC[NH+](C)CC1 ZINC001215091380 1029035103 /nfs/dbraw/zinc/03/51/03/1029035103.db2.gz CMSGYYSOOLGODY-UHFFFAOYSA-N 1 0 396.466 3.834 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001215272986 1029125579 /nfs/dbraw/zinc/12/55/79/1029125579.db2.gz CLRFTIRAJLMXSZ-MOJGAOKDSA-N 1 0 391.515 3.977 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001215510049 1029247070 /nfs/dbraw/zinc/24/70/70/1029247070.db2.gz IHUSJWTWUYDFAB-IBGZPJMESA-N 1 0 387.499 3.956 20 30 GHEDRO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c[nH]c5cc(C#N)ccc45)C3)CC2=O)c1 ZINC001142928645 1029709444 /nfs/dbraw/zinc/70/94/44/1029709444.db2.gz FXMJGSWBBFREGJ-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@H]12 ZINC001142929015 1029710302 /nfs/dbraw/zinc/71/03/02/1029710302.db2.gz SLTPMUNXCAHZQM-DQEYMECFSA-N 1 0 398.510 3.804 20 30 GHEDRO N#Cc1ccc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC000404188569 1029710384 /nfs/dbraw/zinc/71/03/84/1029710384.db2.gz LTHPQRPJBUVASC-VXKWHMMOSA-N 1 0 381.907 3.687 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1OC(F)(F)F ZINC001217012195 1030086554 /nfs/dbraw/zinc/08/65/54/1030086554.db2.gz BOKYPJJZBLWWJZ-HNNXBMFYSA-N 1 0 382.386 3.595 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3c[nH]c(Br)c3)CC2)C1=O ZINC001276751059 1030115216 /nfs/dbraw/zinc/11/52/16/1030115216.db2.gz ROKIZWNVKQZZLJ-SFHVURJKSA-N 1 0 380.330 3.558 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(-c3nc(-c4ccc5c(n4)CC[NH2+]C5)no3)c2)c1 ZINC001217065312 1030139133 /nfs/dbraw/zinc/13/91/33/1030139133.db2.gz DDHDUSQFQWRHHF-UHFFFAOYSA-N 1 0 395.422 3.689 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CNc4ccc(C)cc43)CC2)cc1OC ZINC001222481624 1030160343 /nfs/dbraw/zinc/16/03/43/1030160343.db2.gz AMDYRLHWWZKOTK-UHFFFAOYSA-N 1 0 376.500 3.975 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)ccnc3OC)CC2)C1=O ZINC001276857431 1030398009 /nfs/dbraw/zinc/39/80/09/1030398009.db2.gz JCPHLQUYLCRYBN-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC001150140842 1030422335 /nfs/dbraw/zinc/42/23/35/1030422335.db2.gz JBKFYWPZDCGZKL-OIBXWCBGSA-N 1 0 375.516 3.786 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)CC)CC2 ZINC001217614501 1030536645 /nfs/dbraw/zinc/53/66/45/1030536645.db2.gz PSDLMLOVOJPHSR-HNNXBMFYSA-N 1 0 376.570 3.761 20 30 GHEDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001218033622 1030735262 /nfs/dbraw/zinc/73/52/62/1030735262.db2.gz FSLHKXRZKVLDIR-RWJTWEKPSA-N 1 0 395.455 3.523 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001223765827 1030744797 /nfs/dbraw/zinc/74/47/97/1030744797.db2.gz UDPWTTYULQEUCG-AJSBUHFISA-N 1 0 390.483 3.772 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3CC[NH2+][C@H](C)C3)cc2)cc1 ZINC001218054944 1030745852 /nfs/dbraw/zinc/74/58/52/1030745852.db2.gz DKPCERHUTJSFET-APWZRJJASA-N 1 0 387.501 3.604 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(OC2CC3(C[NH2+]C3)C2)c(O)c1 ZINC001218056399 1030746373 /nfs/dbraw/zinc/74/63/73/1030746373.db2.gz QMDKWIVRMPVNAC-UHFFFAOYSA-N 1 0 377.481 3.746 20 30 GHEDRO C[C@H]1C[C@@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)CC[NH2+]1 ZINC001218062153 1030749826 /nfs/dbraw/zinc/74/98/26/1030749826.db2.gz RMRWGYLJIIHGHI-HZKAMWBNSA-N 1 0 379.504 3.840 20 30 GHEDRO COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001223891099 1030794148 /nfs/dbraw/zinc/79/41/48/1030794148.db2.gz DFHPUKZJRPRUBQ-WXVFVKJXSA-N 1 0 390.867 3.784 20 30 GHEDRO CCCCCCCC(=O)CCc1ccc(OC[C@H]2C[NH2+]CCO2)c(OC)c1 ZINC001218176407 1030807278 /nfs/dbraw/zinc/80/72/78/1030807278.db2.gz HHLRJEFSLXDULA-HXUWFJFHSA-N 1 0 377.525 3.925 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)nc2c(Br)cccc12 ZINC001218199366 1030821670 /nfs/dbraw/zinc/82/16/70/1030821670.db2.gz FBSNLZVJODYBDJ-PELKAZGASA-N 1 0 386.171 3.506 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 ZINC001218201060 1030824774 /nfs/dbraw/zinc/82/47/74/1030824774.db2.gz JZPZKWNAGVAAMO-APPDUMDISA-N 1 0 376.243 3.736 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 ZINC001218201154 1030825823 /nfs/dbraw/zinc/82/58/23/1030825823.db2.gz PKARGAKBGYXVIV-ISVAXAHUSA-N 1 0 375.272 3.763 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(Br)cc(Br)cc1C(C)=O ZINC001218204918 1030827411 /nfs/dbraw/zinc/82/74/11/1030827411.db2.gz BPJUGJCRGKBXOF-ZDUSSCGKSA-N 1 0 389.087 3.711 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(/C=C/C(=O)OCCc2ccccc2)ccc1OC ZINC001218207712 1030829073 /nfs/dbraw/zinc/82/90/73/1030829073.db2.gz KMBVIFWDJBAWHZ-NMXNWIABSA-N 1 0 393.483 3.791 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)c(OC)c2oc(-c3ccccc3)cc(=O)c12 ZINC001218211375 1030832647 /nfs/dbraw/zinc/83/26/47/1030832647.db2.gz XKTQWCZDIAYOCT-HXUWFJFHSA-N 1 0 393.439 3.774 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CCC3(C[NH2+]C3)C2)c1 ZINC001218241456 1030847116 /nfs/dbraw/zinc/84/71/16/1030847116.db2.gz REOLANJEEQKJFJ-IBGZPJMESA-N 1 0 391.467 3.920 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1C[C@H]2CC[NH2+][C@@H]2C1 ZINC001218249984 1030851595 /nfs/dbraw/zinc/85/15/95/1030851595.db2.gz KSYCDHJQCMEQNB-MCQJJUAYSA-N 1 0 391.515 3.840 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC001224096334 1030881901 /nfs/dbraw/zinc/88/19/01/1030881901.db2.gz HPAKPQDKGHYTPQ-QHCPKHFHSA-N 1 0 375.516 3.757 20 30 GHEDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(-c2ccc(C#N)cc2)cc1I ZINC001218383399 1030914341 /nfs/dbraw/zinc/91/43/41/1030914341.db2.gz OEMJROGETRLGTE-GTNSWQLSSA-N 1 0 390.224 3.569 20 30 GHEDRO C[C@H]1CC[C@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)C[NH2+]1 ZINC001218401798 1030921275 /nfs/dbraw/zinc/92/12/75/1030921275.db2.gz ICRQYHBJCPNBMG-BOUSERCASA-N 1 0 379.504 3.840 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(O)cc2c1C(=O)C[C@H](c1ccc(O)cc1)O2 ZINC001218452554 1030941864 /nfs/dbraw/zinc/94/18/64/1030941864.db2.gz XXJSDDJMLKFJFV-MISYRCLQSA-N 1 0 395.455 3.880 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001218455265 1030943431 /nfs/dbraw/zinc/94/34/31/1030943431.db2.gz GYBLHEGVJWCJLF-NNWDPOBMSA-N 1 0 395.455 3.775 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218467233 1030949592 /nfs/dbraw/zinc/94/95/92/1030949592.db2.gz OSCPYCGZKGVWEB-YBHMHBJUSA-N 1 0 379.456 3.674 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1CO[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224430732 1031001066 /nfs/dbraw/zinc/00/10/66/1031001066.db2.gz UWGBTGYKCFCPNU-PMACEKPBSA-N 1 0 385.508 3.549 20 30 GHEDRO C[NH2+]CCC(=O)Nc1c(C#N)c(-c2cccc3ccccc32)nn1C(C)(C)C ZINC001218705964 1031042081 /nfs/dbraw/zinc/04/20/81/1031042081.db2.gz KQTBJHUROORUFQ-UHFFFAOYSA-N 1 0 375.476 3.878 20 30 GHEDRO Cc1cnn(-c2ccc(C)cc2)c1NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1 ZINC001218750160 1031065301 /nfs/dbraw/zinc/06/53/01/1031065301.db2.gz QEULLYQHYQBOLI-GCJKJVERSA-N 1 0 399.498 3.520 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)CC[NH2+]2)c(OC(F)(F)F)c1 ZINC001218840013 1031107184 /nfs/dbraw/zinc/10/71/84/1031107184.db2.gz KEYONUBAIBVYIV-RDJZCZTQSA-N 1 0 389.377 3.931 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC001224844731 1031144821 /nfs/dbraw/zinc/14/48/21/1031144821.db2.gz HYUKMTQCGFQIDN-HDICACEKSA-N 1 0 382.552 3.993 20 30 GHEDRO CC(C)OCc1cccc(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)c1 ZINC001218969983 1031187288 /nfs/dbraw/zinc/18/72/88/1031187288.db2.gz KNTNGCDKBKTOIA-GCJKJVERSA-N 1 0 377.488 3.643 20 30 GHEDRO C=CCN1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1 ZINC001152347700 1031200983 /nfs/dbraw/zinc/20/09/83/1031200983.db2.gz HFBPBNKKFBIPBT-UHFFFAOYSA-N 1 0 375.472 3.691 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc(OC)c1OC ZINC001152409772 1031225823 /nfs/dbraw/zinc/22/58/23/1031225823.db2.gz FRKXZFZVUPKSAR-OAQYLSRUSA-N 1 0 394.515 3.745 20 30 GHEDRO COC(=O)c1cc(C#N)cc(NC(=O)C[C@@H]([NH3+])c2cccc(Cl)c2Cl)c1 ZINC001219133304 1031267095 /nfs/dbraw/zinc/26/70/95/1031267095.db2.gz SMUGGBHOIHAEAM-OAHLLOKOSA-N 1 0 392.242 3.680 20 30 GHEDRO C[C@H](CS)O[C@H]1C[N@H+](Cc2ccccc2)C2(C1)CCC1(CC2)OCCO1 ZINC001225172899 1031296715 /nfs/dbraw/zinc/29/67/15/1031296715.db2.gz BENGUTKHQWLRCX-IEBWSBKVSA-N 1 0 377.550 3.652 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)c(C)c1C)CC2 ZINC001277025031 1031312214 /nfs/dbraw/zinc/31/22/14/1031312214.db2.gz AELFOOUUXRIENP-KRWDZBQOSA-N 1 0 391.353 3.970 20 30 GHEDRO C=C(Br)CNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001225432125 1031407606 /nfs/dbraw/zinc/40/76/06/1031407606.db2.gz ISHJOPMBKDRSRG-KRWDZBQOSA-N 1 0 380.330 3.591 20 30 GHEDRO N#Cc1ccc(NC(=O)C2(Cc3ccccc3F)CC[NH2+]CC2)c2cccnc12 ZINC001219466970 1031442173 /nfs/dbraw/zinc/44/21/73/1031442173.db2.gz BCRJRCNKXVGJIL-UHFFFAOYSA-N 1 0 388.446 3.797 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219482681 1031448744 /nfs/dbraw/zinc/44/87/44/1031448744.db2.gz HVULHVBYHIQDQY-UZLBHIALSA-N 1 0 390.987 3.666 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 ZINC001153301972 1031527721 /nfs/dbraw/zinc/52/77/21/1031527721.db2.gz RYVZXYJOHGJJFE-UHFFFAOYSA-N 1 0 384.427 3.600 20 30 GHEDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(C#N)ccc1Br ZINC001461787615 1069746424 /nfs/dbraw/zinc/74/64/24/1069746424.db2.gz PNICCVUDJAYJHJ-CQSZACIVSA-N 1 0 379.220 3.894 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)NCCc1cc(Br)ccc1OC ZINC001219911979 1031689572 /nfs/dbraw/zinc/68/95/72/1031689572.db2.gz RMIWWFKRAPDZLU-INIZCTEOSA-N 1 0 383.330 3.580 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3c(C)cccc3Br)C2)C1=O ZINC001276810432 1031774033 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MHCRSPGIMOINSQ-WMZHIEFXSA-N 1 0 381.472 3.902 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)ccc1F ZINC001205473385 1033428942 /nfs/dbraw/zinc/42/89/42/1033428942.db2.gz XKXSGSSZELVFMQ-UHFFFAOYSA-N 1 0 377.463 3.855 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)ccc1F ZINC001205472918 1033429069 /nfs/dbraw/zinc/42/90/69/1033429069.db2.gz LJKXGGYTTQXRJD-UHFFFAOYSA-N 1 0 395.453 3.994 20 30 GHEDRO COCC[N@H+](Cc1ccc(F)c(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001205493765 1033438556 /nfs/dbraw/zinc/43/85/56/1033438556.db2.gz ORKMIAAZAPFDOL-UHFFFAOYSA-N 1 0 391.487 3.545 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(OC3CC[NH+](C)CC3)c(C#N)c2)nc1C ZINC001229533136 1033544461 /nfs/dbraw/zinc/54/44/61/1033544461.db2.gz JQCNWWRYOYKUPP-UHFFFAOYSA-N 1 0 385.489 3.640 20 30 GHEDRO CC[N@@H+]1CCC[C@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001229591533 1033579686 /nfs/dbraw/zinc/57/96/86/1033579686.db2.gz QVPVGQLRVSARRL-MPNRVQBSSA-N 1 0 383.444 3.563 20 30 GHEDRO Cc1cc(Cl)nc(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)c1C#N ZINC001157531346 1033644484 /nfs/dbraw/zinc/64/44/84/1033644484.db2.gz NLNSTZUEYOERLS-UHFFFAOYSA-N 1 0 396.804 3.614 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC001157556810 1033658525 /nfs/dbraw/zinc/65/85/25/1033658525.db2.gz GYIFICKNMUFPAJ-UHFFFAOYSA-N 1 0 388.581 3.695 20 30 GHEDRO O=C1c2ccccc2C(Nc2nc(Cl)nc3c2CC[NH2+]C3)=C1c1ccccc1 ZINC001157618548 1033695031 /nfs/dbraw/zinc/69/50/31/1033695031.db2.gz XKSINDXWKXJSKH-UHFFFAOYSA-N 1 0 388.858 3.952 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(F)cc(I)c2)no1 ZINC001206094244 1033716440 /nfs/dbraw/zinc/71/64/40/1033716440.db2.gz CCJJXWXRVCRZGA-UHFFFAOYSA-N 1 0 399.207 3.589 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@H]2C1 ZINC001157700796 1033730384 /nfs/dbraw/zinc/73/03/84/1033730384.db2.gz WQHFZHPUKXDSBL-VXGBXAGGSA-N 1 0 376.838 3.816 20 30 GHEDRO COc1cc(C(F)(F)N2C[C@H](CC[NH3+])c3ccccc32)c(C#N)c(Cl)n1 ZINC001157748355 1033752161 /nfs/dbraw/zinc/75/21/61/1033752161.db2.gz VUSMPWJQSKRAKE-NSHDSACASA-N 1 0 378.810 3.617 20 30 GHEDRO Cc1nc(CC[NH3+])nn1-c1nc(-c2ccccc2)c(-c2ccccc2)cc1C#N ZINC001158131884 1033926468 /nfs/dbraw/zinc/92/64/68/1033926468.db2.gz CDUBVJALIRDOMS-UHFFFAOYSA-N 1 0 380.455 3.678 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C(F)(F)c1nc(Cl)ccc1C#N ZINC001158297016 1034010165 /nfs/dbraw/zinc/01/01/65/1034010165.db2.gz PNCHJYFZYWTRFY-UHFFFAOYSA-N 1 0 390.821 3.977 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2-n2ncc3c2cccc3C[NH3+])cc1 ZINC001158313725 1034016150 /nfs/dbraw/zinc/01/61/50/1034016150.db2.gz XGFUBDYZJLNUEY-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c2)c1 ZINC001158339450 1034031468 /nfs/dbraw/zinc/03/14/68/1034031468.db2.gz PVDWGHQCVHBRDV-BJKOFHAPSA-N 1 0 395.462 3.642 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(NCc3ncn4c3C[NH2+]CCC4)c12 ZINC001158363990 1034044448 /nfs/dbraw/zinc/04/44/48/1034044448.db2.gz KVJWRQFFAWZAGD-UHFFFAOYSA-N 1 0 384.846 3.509 20 30 GHEDRO Cc1cc(N(c2nc(Cl)c(Cl)cc2C#N)C2CC[NH2+]CC2)nc(C)n1 ZINC001158391441 1034058204 /nfs/dbraw/zinc/05/82/04/1034058204.db2.gz FVDTYRFAXMXQKU-UHFFFAOYSA-N 1 0 377.279 3.557 20 30 GHEDRO COC(=O)c1cc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884261 1069834475 /nfs/dbraw/zinc/83/44/75/1069834475.db2.gz RXKRYDZVPFLUMO-NHCUHLMSSA-N 1 0 377.488 3.883 20 30 GHEDRO Cn1cc(C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)cc1C#N ZINC001207106766 1034095951 /nfs/dbraw/zinc/09/59/51/1034095951.db2.gz VFSNMZKRRSEHGP-UHFFFAOYSA-N 1 0 390.531 3.661 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2-n2cc(CC[NH3+])c3ncccc32)cc1 ZINC001158753807 1034261575 /nfs/dbraw/zinc/26/15/75/1034261575.db2.gz JKRPLHKKNQVZQF-UHFFFAOYSA-N 1 0 390.834 3.634 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001207374144 1034318258 /nfs/dbraw/zinc/31/82/58/1034318258.db2.gz FDVJKKVTVPEFAA-ICSRJNTNSA-N 1 0 385.508 3.801 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)C1=O ZINC001277487929 1034406466 /nfs/dbraw/zinc/40/64/66/1034406466.db2.gz TXZANDKCECRELL-HXUWFJFHSA-N 1 0 385.920 3.521 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCCc1ccc(OC)cc1)CC2 ZINC001207576730 1034458713 /nfs/dbraw/zinc/45/87/13/1034458713.db2.gz CIRMPOSBYRVBNH-UHFFFAOYSA-N 1 0 395.547 3.995 20 30 GHEDRO COc1ccc(COc2cc(C#N)cc(Nc3cnn([C@H]4CC[NH2+]C4)c3)c2)cc1 ZINC001159322299 1034543704 /nfs/dbraw/zinc/54/37/04/1034543704.db2.gz MIQPKDLMNXDMRG-FQEVSTJZSA-N 1 0 389.459 3.620 20 30 GHEDRO N#Cc1cc(Nc2ccnn2-c2ccccc2Br)cc(C2C[NH2+]C2)c1 ZINC001159355684 1034560085 /nfs/dbraw/zinc/56/00/85/1034560085.db2.gz INTSINNTFMNENP-UHFFFAOYSA-N 1 0 394.276 3.937 20 30 GHEDRO N#Cc1cc(Nc2cc(F)cc(I)c2)cc(C2C[NH2+]C2)c1 ZINC001159685934 1034713495 /nfs/dbraw/zinc/71/34/95/1034713495.db2.gz VLUUMZRSALYXSI-UHFFFAOYSA-N 1 0 393.203 3.732 20 30 GHEDRO CCCCOC(=O)c1cccc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001159749052 1034732140 /nfs/dbraw/zinc/73/21/40/1034732140.db2.gz WUSFNXVTGYGVFJ-UHFFFAOYSA-N 1 0 378.476 3.668 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1O ZINC001231592867 1034747042 /nfs/dbraw/zinc/74/70/42/1034747042.db2.gz LDSNVMQGAKCGPT-DEOSSOPVSA-N 1 0 391.515 3.691 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)c(Br)cc1F)CC2 ZINC001276557761 1034749073 /nfs/dbraw/zinc/74/90/73/1034749073.db2.gz GMHCMAQFUKGKEZ-OAHLLOKOSA-N 1 0 395.316 3.801 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)COCCN(Cc1cc(Cl)c(Cl)cc1C)C2 ZINC001276559758 1034760613 /nfs/dbraw/zinc/76/06/13/1034760613.db2.gz JUKMARGDVCQYLH-IBGZPJMESA-N 1 0 383.319 3.539 20 30 GHEDRO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)CC1 ZINC001208158450 1034763033 /nfs/dbraw/zinc/76/30/33/1034763033.db2.gz BFKFJONIHQLDFR-HFMPRLQTSA-N 1 0 394.563 3.864 20 30 GHEDRO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)CC1 ZINC001208158690 1034763629 /nfs/dbraw/zinc/76/36/29/1034763629.db2.gz BFKFJONIHQLDFR-YZUZCNPQSA-N 1 0 394.563 3.864 20 30 GHEDRO C=C(C)[C@@H]1CC=C(CN2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)CC1 ZINC001208170671 1034770969 /nfs/dbraw/zinc/77/09/69/1034770969.db2.gz KJZNZLHXVONALQ-GMKZXUHWSA-N 1 0 381.564 3.968 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)CC1 ZINC001208175249 1034774302 /nfs/dbraw/zinc/77/43/02/1034774302.db2.gz QERMIQNLZWXAAQ-NPDDRXJXSA-N 1 0 384.520 3.678 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001231619999 1034778148 /nfs/dbraw/zinc/77/81/48/1034778148.db2.gz VIPYVOBCXSXZFL-OAQYLSRUSA-N 1 0 381.501 3.647 20 30 GHEDRO C=CCOc1cccc(CN2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001231623102 1034782963 /nfs/dbraw/zinc/78/29/63/1034782963.db2.gz ULZBOHRAJSLRQZ-UHFFFAOYSA-N 1 0 380.536 3.616 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c1 ZINC001231623025 1034783605 /nfs/dbraw/zinc/78/36/05/1034783605.db2.gz QULFPTBXZHNNGG-UHFFFAOYSA-N 1 0 379.504 3.518 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)c1 ZINC001231623031 1034783629 /nfs/dbraw/zinc/78/36/29/1034783629.db2.gz QXRBKBRFBFJBCL-NHCUHLMSSA-N 1 0 397.544 3.782 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCc3nc(C(=O)NCC(C)C)sc3CC2)c1 ZINC001231623755 1034785377 /nfs/dbraw/zinc/78/53/77/1034785377.db2.gz UOBFIGFZTSAQOH-UHFFFAOYSA-N 1 0 399.560 3.695 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c1 ZINC001231655787 1034812584 /nfs/dbraw/zinc/81/25/84/1034812584.db2.gz UILAHUYFBADTAP-JOCHJYFZSA-N 1 0 376.500 3.761 20 30 GHEDRO C#Cc1cccc(CN2CCC([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CC2)c1 ZINC001231662849 1034818200 /nfs/dbraw/zinc/81/82/00/1034818200.db2.gz HKBHSICNTAEOES-UHFFFAOYSA-N 1 0 397.563 3.621 20 30 GHEDRO COc1c(Br)ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1C#N ZINC001160250838 1034917786 /nfs/dbraw/zinc/91/77/86/1034917786.db2.gz OOYDSROIPPLUFF-UHFFFAOYSA-N 1 0 383.249 3.631 20 30 GHEDRO C=CCN1CC[C@]2(CCCN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC001208586595 1034943974 /nfs/dbraw/zinc/94/39/74/1034943974.db2.gz WQGKLZFXABPXJU-VWNXMTODSA-N 1 0 381.564 3.542 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3c(F)cc(F)cc3Cl)CC2)C1=O ZINC001277581428 1034967593 /nfs/dbraw/zinc/96/75/93/1034967593.db2.gz UDNIDUHBXCDKHV-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1CCC(C[NH2+]C)CC1 ZINC001160459945 1034981786 /nfs/dbraw/zinc/98/17/86/1034981786.db2.gz SOUCOSMRXKZLLB-UHFFFAOYSA-N 1 0 381.605 3.824 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@H+](CCOCCOCc3ccccc3)C2)c1 ZINC001208750812 1034997644 /nfs/dbraw/zinc/99/76/44/1034997644.db2.gz QNARAANNIQZNSA-QHCPKHFHSA-N 1 0 380.488 3.635 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)COc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001160750664 1035055809 /nfs/dbraw/zinc/05/58/09/1035055809.db2.gz QUUBVPBSTOVZAP-JOCHJYFZSA-N 1 0 379.504 3.555 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001208849945 1035056806 /nfs/dbraw/zinc/05/68/06/1035056806.db2.gz REKMJLJBMMUKIQ-LADGPHEKSA-N 1 0 391.515 3.836 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001208849883 1035056924 /nfs/dbraw/zinc/05/69/24/1035056924.db2.gz OZJVYOZRRZBFOD-HXUWFJFHSA-N 1 0 395.478 3.727 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1 ZINC001208849330 1035057329 /nfs/dbraw/zinc/05/73/29/1035057329.db2.gz CUVWXNBCLFFDJQ-WXFUMESZSA-N 1 0 391.515 3.725 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@H+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857327 1035061527 /nfs/dbraw/zinc/06/15/27/1035061527.db2.gz ZGLGOLRBXARPJE-QHCPKHFHSA-N 1 0 399.535 3.593 20 30 GHEDRO COc1cccc2c1c(C[NH3+])cn2-c1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001160763760 1035061436 /nfs/dbraw/zinc/06/14/36/1035061436.db2.gz PZFWFXDRYQXBIX-INIZCTEOSA-N 1 0 387.418 3.682 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2nn(CC3CC3)cc21 ZINC001208858134 1035062679 /nfs/dbraw/zinc/06/26/79/1035062679.db2.gz DMQVRZDZZQWRLO-OAQYLSRUSA-N 1 0 378.520 3.733 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](CCCc4ccc(C#N)cc4)C3)C2=O)c1 ZINC001208859592 1035062880 /nfs/dbraw/zinc/06/28/80/1035062880.db2.gz RNFRCCQCKPJRIA-VWLOTQADSA-N 1 0 387.527 3.924 20 30 GHEDRO N#Cc1ccc(CCC[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)cc1 ZINC001208862624 1035065162 /nfs/dbraw/zinc/06/51/62/1035065162.db2.gz LGNZAOGHTZMFPA-DHIUTWEWSA-N 1 0 389.499 3.976 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1 ZINC001208923835 1035091130 /nfs/dbraw/zinc/09/11/30/1035091130.db2.gz UALBARNAPGXCBP-QFIPXVFZSA-N 1 0 379.529 3.791 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC001208927132 1035092056 /nfs/dbraw/zinc/09/20/56/1035092056.db2.gz QFNFDNTYGYUFFY-UHFFFAOYSA-N 1 0 393.531 3.714 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2ccc(C#N)c(Cl)c2)CC3)cn1 ZINC001232114172 1035102301 /nfs/dbraw/zinc/10/23/01/1035102301.db2.gz DZDLWKXTIAPQGL-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO Cc1ccc(/C=C2\CN(C(=O)C3([NH3+])CC3)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC001160958644 1035105993 /nfs/dbraw/zinc/10/59/93/1035105993.db2.gz CQQZJUHKEJHAEO-JFMUQQRKSA-N 1 0 386.495 3.673 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ncc(C)cc3Br)CC2)C1=O ZINC001277622866 1035141551 /nfs/dbraw/zinc/14/15/51/1035141551.db2.gz HYCWHCIZGZGNKL-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO C=CCN(CC[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1)C(=O)OCC ZINC001209021601 1035152146 /nfs/dbraw/zinc/15/21/46/1035152146.db2.gz KDGVAIPORBKICS-UHFFFAOYSA-N 1 0 384.879 3.967 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161137374 1035155750 /nfs/dbraw/zinc/15/57/50/1035155750.db2.gz RRFYTJSWLLMWKD-UHFFFAOYSA-N 1 0 385.471 3.797 20 30 GHEDRO CCCc1cc(C#N)c(NC2CC[NH+](CC3CCOCC3)CC2)nc1Cl ZINC001161214586 1035182365 /nfs/dbraw/zinc/18/23/65/1035182365.db2.gz BUWSXKLEOWUADJ-UHFFFAOYSA-N 1 0 376.932 3.862 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@@H+](CCc1ccc(C(F)(F)F)cc1)CC2 ZINC001209123952 1035184131 /nfs/dbraw/zinc/18/41/31/1035184131.db2.gz CPDXBJYSXIGJSL-UHFFFAOYSA-N 1 0 379.426 3.742 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCc4cc(F)cc(F)c4)C3)CC2=O)c1 ZINC001209135619 1035188353 /nfs/dbraw/zinc/18/83/53/1035188353.db2.gz JICFWKVQXWDFQI-QFIPXVFZSA-N 1 0 381.426 3.508 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)CC1 ZINC001209141736 1035191495 /nfs/dbraw/zinc/19/14/95/1035191495.db2.gz YXQWCBZGXSLVHD-UHFFFAOYSA-N 1 0 384.520 3.665 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC001209149430 1035193554 /nfs/dbraw/zinc/19/35/54/1035193554.db2.gz YQSOFUAPPOFFCQ-UHFFFAOYSA-N 1 0 378.472 3.588 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@@H+](CCc1ccccc1C(F)(F)F)CC2 ZINC001209285706 1035231081 /nfs/dbraw/zinc/23/10/81/1035231081.db2.gz NQMRPIIIQDCNRQ-UHFFFAOYSA-N 1 0 379.426 3.742 20 30 GHEDRO C[C@H](c1ccccc1)N(C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1)C1=CC(=O)CCC1 ZINC001161509028 1035245034 /nfs/dbraw/zinc/24/50/34/1035245034.db2.gz KWIZIDFOFBFURD-HBGVWJBISA-N 1 0 384.520 3.759 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CCC[C@@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001209442737 1035274894 /nfs/dbraw/zinc/27/48/94/1035274894.db2.gz DHFJJAWYETXJMS-GGAORHGYSA-N 1 0 392.584 3.633 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)cc2n1 ZINC001209591528 1035321240 /nfs/dbraw/zinc/32/12/40/1035321240.db2.gz UOYMNBCXTOKYQE-QGZVFWFLSA-N 1 0 377.492 3.864 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N3CCCC3)nc1)[C@@H]2CC ZINC001209625664 1035334925 /nfs/dbraw/zinc/33/49/25/1035334925.db2.gz JYOSXQNIZYJYIQ-OFNKIYASSA-N 1 0 382.552 3.603 20 30 GHEDRO Cc1cccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)c1Br ZINC001248156586 1035582945 /nfs/dbraw/zinc/58/29/45/1035582945.db2.gz HVSQLVRYQIMPOV-HNNXBMFYSA-N 1 0 397.276 3.792 20 30 GHEDRO Cc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1Br ZINC001248157757 1035584125 /nfs/dbraw/zinc/58/41/25/1035584125.db2.gz XKRFXKRNISIHHS-MRXNPFEDSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(-c2noc(C[C@@H]([NH3+])COCc3ccccc3)n2)c2ccccc12 ZINC001248178376 1035605167 /nfs/dbraw/zinc/60/51/67/1035605167.db2.gz GUYRSPVVBIQZDL-GOSISDBHSA-N 1 0 384.439 3.848 20 30 GHEDRO Cc1cccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)c1Br ZINC001248179422 1035607035 /nfs/dbraw/zinc/60/70/35/1035607035.db2.gz HOPHUHUIHNUFFB-HNNXBMFYSA-N 1 0 397.276 3.792 20 30 GHEDRO CC(C)(C)Oc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)cc1 ZINC001248180536 1035609241 /nfs/dbraw/zinc/60/92/41/1035609241.db2.gz HELHHKLEQGUNDY-SFHVURJKSA-N 1 0 376.460 3.898 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cn3ccnc13)C2 ZINC001248439885 1035856336 /nfs/dbraw/zinc/85/63/36/1035856336.db2.gz LSBDZHBJPBERTL-QUCCMNQESA-N 1 0 375.900 3.561 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001248748570 1036105619 /nfs/dbraw/zinc/10/56/19/1036105619.db2.gz NYTSKZRUJVTRAT-UHFFFAOYSA-N 1 0 399.535 3.723 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(-c3ccn(C)n3)cc1)C2 ZINC001248764576 1036123120 /nfs/dbraw/zinc/12/31/20/1036123120.db2.gz YLEOCAJHPGXICM-QHCPKHFHSA-N 1 0 378.520 3.620 20 30 GHEDRO N#Cc1cc(-c2ccc(C(=O)N3CCCC3)cc2Cl)ccc1N1CC[NH2+]CC1 ZINC001243474496 1036161958 /nfs/dbraw/zinc/16/19/58/1036161958.db2.gz BZEWHHDTOAIICI-UHFFFAOYSA-N 1 0 394.906 3.524 20 30 GHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(=O)NCC(=O)OC)cc2)cc1 ZINC001245114642 1036762391 /nfs/dbraw/zinc/76/23/91/1036762391.db2.gz MGDMSJXTKNRFJB-OAQYLSRUSA-N 1 0 378.472 3.579 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C2=CC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC001245422788 1036917941 /nfs/dbraw/zinc/91/79/41/1036917941.db2.gz KWBGSNRSTBBUMF-BNAXQODOSA-N 1 0 389.565 3.539 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001245915837 1037055494 /nfs/dbraw/zinc/05/54/94/1037055494.db2.gz RGKPISRKCUGPJO-JOCHJYFZSA-N 1 0 376.529 3.996 20 30 GHEDRO COc1cc(NC(=S)Nc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC001245933962 1037063843 /nfs/dbraw/zinc/06/38/43/1037063843.db2.gz KHEOCFPELMXMEG-UHFFFAOYSA-N 1 0 396.516 3.850 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1 ZINC001246010615 1037132079 /nfs/dbraw/zinc/13/20/79/1037132079.db2.gz BVGCSNYRYDEKIM-FGZHOGPDSA-N 1 0 392.584 3.929 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001246038055 1037154107 /nfs/dbraw/zinc/15/41/07/1037154107.db2.gz UXLAWKLWOBVESB-XPWALMASSA-N 1 0 398.632 3.738 20 30 GHEDRO CCCCCCCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001278440207 1037273267 /nfs/dbraw/zinc/27/32/67/1037273267.db2.gz UAXFVVUQXHQTDM-UHFFFAOYSA-N 1 0 380.964 3.821 20 30 GHEDRO C[C@H]1C[C@@H](NCc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C[NH2+]1 ZINC001246296689 1037282861 /nfs/dbraw/zinc/28/28/61/1037282861.db2.gz STIKOTHAQWZRMO-OXJNMPFZSA-N 1 0 385.471 3.648 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])N[C@H](C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001246303839 1037287103 /nfs/dbraw/zinc/28/71/03/1037287103.db2.gz JCYVSTNAXVDQAH-GFCCVEGCSA-N 1 0 380.366 3.708 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246309509 1037288786 /nfs/dbraw/zinc/28/87/86/1037288786.db2.gz CKALFQRDTCFMIU-WMZOPIPTSA-N 1 0 382.570 3.886 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC1CCC([NH2+]C)CC1 ZINC001246482189 1037428036 /nfs/dbraw/zinc/42/80/36/1037428036.db2.gz LJTXDVUPWYCTAT-GZNCHQMQSA-N 1 0 388.552 3.624 20 30 GHEDRO C=CCCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC001246655473 1037528285 /nfs/dbraw/zinc/52/82/85/1037528285.db2.gz VXOVLBMPSQSDFD-GOTSBHOMSA-N 1 0 398.595 3.894 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)N1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001246804317 1037638062 /nfs/dbraw/zinc/63/80/62/1037638062.db2.gz GDPBMMWPLXVDEE-YWZLYKJASA-N 1 0 384.321 3.898 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)N1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001246806393 1037640323 /nfs/dbraw/zinc/64/03/23/1037640323.db2.gz MNDLAPCSLFTNAI-FOIQADDNSA-N 1 0 384.321 3.898 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(Br)cc2NC(C)=O)ccc1C#N ZINC001462205409 1070080183 /nfs/dbraw/zinc/08/01/83/1070080183.db2.gz QHCODDXTPWPABU-UHFFFAOYSA-N 1 0 388.265 3.578 20 30 GHEDRO N#Cc1ccc(-c2nc3cccc(F)c3n2CC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001247037229 1037859242 /nfs/dbraw/zinc/85/92/42/1037859242.db2.gz KPEYJAAGQUGSKB-UHFFFAOYSA-N 1 0 379.395 3.622 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)C1 ZINC001232258656 1037981664 /nfs/dbraw/zinc/98/16/64/1037981664.db2.gz BVLRTJFTKBXKIP-UHFFFAOYSA-N 1 0 394.899 3.752 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)c(O)cc3O)CC2)C1=O ZINC001277666558 1038215762 /nfs/dbraw/zinc/21/57/62/1038215762.db2.gz WPICBYNOVBMJPL-HXUWFJFHSA-N 1 0 378.900 3.532 20 30 GHEDRO C=CCC[C@H](N)c1nc(-c2ccc(Cl)c(I)c2)no1 ZINC001247622087 1038278913 /nfs/dbraw/zinc/27/89/13/1038278913.db2.gz FPYPDVAFGBAWJL-NSHDSACASA-N 1 0 389.624 3.961 20 30 GHEDRO C=C[C@@H]1C[C@]1(N)c1nc(-c2ccc(OCc3ccc(OC)cc3)cc2F)no1 ZINC001247621441 1038279296 /nfs/dbraw/zinc/27/92/96/1038279296.db2.gz OJUKBUZQHALZKR-SPLOXXLWSA-N 1 0 381.407 3.823 20 30 GHEDRO CCCCCCCc1ccc(-c2noc([C@H]3CNC(=O)C34CC[NH2+]CC4)n2)cc1 ZINC001247658076 1038298439 /nfs/dbraw/zinc/29/84/39/1038298439.db2.gz NMWYENVUTUEYKB-LJQANCHMSA-N 1 0 396.535 3.833 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)cc1Cl)C2 ZINC001232598312 1038375844 /nfs/dbraw/zinc/37/58/44/1038375844.db2.gz VAFDONKXVJWFOP-CTNGQTDRSA-N 1 0 387.911 3.852 20 30 GHEDRO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001232608033 1038393498 /nfs/dbraw/zinc/39/34/98/1038393498.db2.gz UABKFJQIGCLVGO-PKTZIBPZSA-N 1 0 395.934 3.729 20 30 GHEDRO COc1cccc(C)c1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001232623412 1038412464 /nfs/dbraw/zinc/41/24/64/1038412464.db2.gz OTGBAFTYRDCPHO-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc([C@]34C[NH2+]C[C@@H]3CCN4)n2)cc1 ZINC001247836401 1038414681 /nfs/dbraw/zinc/41/46/81/1038414681.db2.gz MEUBPBGPAQPSRD-AVRDEDQJSA-N 1 0 384.524 3.884 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)c(C#N)c1 ZINC001247881686 1038449387 /nfs/dbraw/zinc/44/93/87/1038449387.db2.gz FHHPDALXNDIDGG-QRQCRPRQSA-N 1 0 380.492 3.607 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001232820101 1038574292 /nfs/dbraw/zinc/57/42/92/1038574292.db2.gz HKYXOEFCNSEDJG-UYAOXDASSA-N 1 0 375.900 3.790 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)s1 ZINC001232842566 1038593466 /nfs/dbraw/zinc/59/34/66/1038593466.db2.gz AFYVBQLDWATCIZ-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3c[nH]c4cc(Br)ncc34)CC2)cc1 ZINC001232860465 1038612116 /nfs/dbraw/zinc/61/21/16/1038612116.db2.gz VQWRMRNNAMKDCP-UHFFFAOYSA-N 1 0 396.292 3.519 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cc(F)ccc3C#N)CC2)c2ccccc21 ZINC001232890653 1038677047 /nfs/dbraw/zinc/67/70/47/1038677047.db2.gz JKQYZKKUSIMHFF-SFHVURJKSA-N 1 0 391.490 3.855 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cc(F)ccc1C#N)CC2 ZINC001232890843 1038679891 /nfs/dbraw/zinc/67/98/91/1038679891.db2.gz BFGKMNCMUVHPSK-QHCPKHFHSA-N 1 0 393.506 3.953 20 30 GHEDRO Cc1cnc2n1CCC21CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232896803 1038690186 /nfs/dbraw/zinc/69/01/86/1038690186.db2.gz RZAOEBPPAQNYPB-UHFFFAOYSA-N 1 0 385.309 3.763 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(C#N)c1 ZINC001232965222 1038738439 /nfs/dbraw/zinc/73/84/39/1038738439.db2.gz QRLIZKGHILLWJK-QHCPKHFHSA-N 1 0 377.463 3.630 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c(C#N)c1 ZINC001232965610 1038739952 /nfs/dbraw/zinc/73/99/52/1038739952.db2.gz BULSEDSNBJFCKY-RUZDIDTESA-N 1 0 396.494 3.998 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c(C#N)c1 ZINC001232966187 1038740074 /nfs/dbraw/zinc/74/00/74/1038740074.db2.gz NRYDDDINJNPJBV-DNQXCXABSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001233079225 1038846496 /nfs/dbraw/zinc/84/64/96/1038846496.db2.gz AGINKELEMNSNTE-JTHBVZDNSA-N 1 0 377.488 3.712 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OCCOC)c(OCCOC)c1 ZINC001233086339 1038857048 /nfs/dbraw/zinc/85/70/48/1038857048.db2.gz NOKBHTWMTONDBN-UHFFFAOYSA-N 1 0 385.504 3.925 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CC1)c1ncc(C)n1CCN2C ZINC001252127507 1038877891 /nfs/dbraw/zinc/87/78/91/1038877891.db2.gz ANIDLXHNVZQALU-FQEVSTJZSA-N 1 0 376.589 3.540 20 30 GHEDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102508 1038884754 /nfs/dbraw/zinc/88/47/54/1038884754.db2.gz CZKNAKLGSZPQBC-MRXNPFEDSA-N 1 0 383.467 3.717 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001252135463 1038887286 /nfs/dbraw/zinc/88/72/86/1038887286.db2.gz CUSYRPIZSRORBA-ZRNYENFQSA-N 1 0 398.588 3.712 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001252135457 1038888037 /nfs/dbraw/zinc/88/80/37/1038888037.db2.gz CUSYRPIZSRORBA-FYQPLNBISA-N 1 0 398.588 3.712 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(Cc1nc(C)sc1Br)CC2 ZINC001233152603 1038927924 /nfs/dbraw/zinc/92/79/24/1038927924.db2.gz FRECKETVQIUKSY-QGZVFWFLSA-N 1 0 398.370 3.747 20 30 GHEDRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252331666 1038944661 /nfs/dbraw/zinc/94/46/61/1038944661.db2.gz VSCOLYATJQIBHR-WTANOLMUSA-N 1 0 397.441 3.682 20 30 GHEDRO CCCCC[C@@H](C)[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340705 1038947273 /nfs/dbraw/zinc/94/72/73/1038947273.db2.gz SQCKOYCAXOYAEW-FZKQIMNGSA-N 1 0 385.430 3.825 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2nc3ccc(-c4cccc(OC)c4)cn3n2)CC1 ZINC001252546852 1039028848 /nfs/dbraw/zinc/02/88/48/1039028848.db2.gz BRJQYCXWATVHED-HSZRJFAPSA-N 1 0 392.503 3.521 20 30 GHEDRO C=C[C@](C)(O)C[N@H+]1CC[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001252551900 1039029926 /nfs/dbraw/zinc/02/99/26/1039029926.db2.gz YLWQSWQKTKTLPS-WTIAFYNJSA-N 1 0 386.536 3.650 20 30 GHEDRO C=C[C@@](C)(O)CNC(=[NH2+])c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001252574674 1039036927 /nfs/dbraw/zinc/03/69/27/1039036927.db2.gz BQMOYQNNUODIPK-LJQANCHMSA-N 1 0 386.498 3.824 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC001252585469 1039038778 /nfs/dbraw/zinc/03/87/78/1039038778.db2.gz PHNCGGFGFASGQQ-UPVQGACJSA-N 1 0 390.483 3.622 20 30 GHEDRO N#Cc1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC001252935924 1039275775 /nfs/dbraw/zinc/27/57/75/1039275775.db2.gz DAKCTPONEHXMGD-IBGZPJMESA-N 1 0 375.394 3.626 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC2(CCCN2CC(=O)NC)CC1 ZINC001252978432 1039308326 /nfs/dbraw/zinc/30/83/26/1039308326.db2.gz BXMRJWSJRFSSJG-NRFANRHFSA-N 1 0 395.632 3.555 20 30 GHEDRO C=CC[NH2+]C[C@@](O)(CCCCCCOc1ccc(Cl)cc1)C(=O)OCC ZINC001253035497 1039370082 /nfs/dbraw/zinc/37/00/82/1039370082.db2.gz CLTPDVXWOQEDHY-FQEVSTJZSA-N 1 0 383.916 3.739 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(Cc2ccccc2)CCS(=O)(=O)CC1 ZINC001253253209 1039504864 /nfs/dbraw/zinc/50/48/64/1039504864.db2.gz DPPNDHWINOZYHL-NRFANRHFSA-N 1 0 393.593 3.654 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233745867 1039586657 /nfs/dbraw/zinc/58/66/57/1039586657.db2.gz QROAXOIPWGVCSK-IBGZPJMESA-N 1 0 398.425 3.824 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588485 1039711318 /nfs/dbraw/zinc/71/13/18/1039711318.db2.gz WQICSYPZZLUJDZ-MOPGFXCFSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253609426 1039720307 /nfs/dbraw/zinc/72/03/07/1039720307.db2.gz SAWVDYDBJWRICU-KRWDZBQOSA-N 1 0 380.916 3.703 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1C[C@@H](CO)C1 ZINC001253613803 1039721277 /nfs/dbraw/zinc/72/12/77/1039721277.db2.gz FEUSCWBMSOQUKZ-BDTNDASRSA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCn1ccnc1 ZINC001253613611 1039721648 /nfs/dbraw/zinc/72/16/48/1039721648.db2.gz AEXBCWLQNJYEHE-QFIPXVFZSA-N 1 0 397.604 3.788 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H](C)CO ZINC001253614246 1039723911 /nfs/dbraw/zinc/72/39/11/1039723911.db2.gz KZDWEGZMCAZOTO-LEWJYISDSA-N 1 0 375.594 3.519 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CCN(C)CC1 ZINC001253616017 1039726134 /nfs/dbraw/zinc/72/61/34/1039726134.db2.gz PUCPPXUMLLYZFX-JOCHJYFZSA-N 1 0 386.621 3.549 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c[nH]c(=O)c4ccccc34)C2)C1 ZINC001233965605 1039732862 /nfs/dbraw/zinc/73/28/62/1039732862.db2.gz YXCCEMYERYTFTP-JOCHJYFZSA-N 1 0 381.476 3.551 20 30 GHEDRO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC001462400284 1070228027 /nfs/dbraw/zinc/22/80/27/1070228027.db2.gz ZYSPDGYIRSNMPL-SFLYRZDNSA-N 1 0 395.547 3.624 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)ccc1-n1ccnc1 ZINC001234085364 1039825581 /nfs/dbraw/zinc/82/55/81/1039825581.db2.gz RKGHWDOIBNOXDD-OAQYLSRUSA-N 1 0 388.471 3.796 20 30 GHEDRO C=CCC[N@H+](Cc1ccccc1)C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253871696 1039873373 /nfs/dbraw/zinc/87/33/73/1039873373.db2.gz WKTIYAXQEZTPTR-VXKWHMMOSA-N 1 0 398.457 3.585 20 30 GHEDRO CCCCCCCCC[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914763 1039897478 /nfs/dbraw/zinc/89/74/78/1039897478.db2.gz GVPDYTVCQLLBAP-VQTJNVASSA-N 1 0 380.483 3.847 20 30 GHEDRO COc1cc(/C=C/C(C)=O)ccc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001234339425 1039975519 /nfs/dbraw/zinc/97/55/19/1039975519.db2.gz ORCRPBWBLMUMFW-MHNQQFQPSA-N 1 0 381.472 3.577 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001254295503 1040145704 /nfs/dbraw/zinc/14/57/04/1040145704.db2.gz NJVRMHQNVICWAF-SFHVURJKSA-N 1 0 382.508 3.976 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCN(Cc3cccnc3)C2)CC1 ZINC001254349158 1040183217 /nfs/dbraw/zinc/18/32/17/1040183217.db2.gz KIBLWLHDGLHVCZ-KOENEWCDSA-N 1 0 378.495 3.789 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(c3nccc(Cl)n3)CC2)CC1 ZINC001254355195 1040188091 /nfs/dbraw/zinc/18/80/91/1040188091.db2.gz ALRHVMCZCWCHTF-UHFFFAOYSA-N 1 0 399.901 3.795 20 30 GHEDRO CCOCc1nnn2c1C[N@@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)CCC2 ZINC001254355581 1040188409 /nfs/dbraw/zinc/18/84/09/1040188409.db2.gz VSINDFQMAQDOMZ-UHFFFAOYSA-N 1 0 397.498 3.564 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC1 ZINC001254359591 1040191577 /nfs/dbraw/zinc/19/15/77/1040191577.db2.gz KLCFBADFZWJTOM-HVIUMASTSA-N 1 0 398.526 3.799 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(N(c2ccncn2)C2CC[NH2+]CC2)CC1 ZINC001254359964 1040192475 /nfs/dbraw/zinc/19/24/75/1040192475.db2.gz RSRFPUPNZYONRZ-UHFFFAOYSA-N 1 0 379.483 3.578 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001254550323 1040318170 /nfs/dbraw/zinc/31/81/70/1040318170.db2.gz HQHOBKPGQMOJEZ-UWJYYQICSA-N 1 0 387.480 3.636 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC001254636259 1040413371 /nfs/dbraw/zinc/41/33/71/1040413371.db2.gz IZNGOWCAIBCHAD-RTBURBONSA-N 1 0 384.524 3.526 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254646913 1040415863 /nfs/dbraw/zinc/41/58/63/1040415863.db2.gz CYVPODZXHNOLEX-QRHKASNESA-N 1 0 381.476 3.737 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)C1 ZINC001254662424 1040424519 /nfs/dbraw/zinc/42/45/19/1040424519.db2.gz GMRWWVKKAGOPFO-WIBUTAKZSA-N 1 0 386.883 3.582 20 30 GHEDRO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO3)cs1 ZINC001254663877 1040424911 /nfs/dbraw/zinc/42/49/11/1040424911.db2.gz SILQIIIVFMXIJI-RAUXBKROSA-N 1 0 375.538 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@H+]([C@H]2CC[C@H](C#N)C2)C2CCOCC2)CC1 ZINC001254676597 1040432361 /nfs/dbraw/zinc/43/23/61/1040432361.db2.gz MKJNFRGNTYXRLA-JPLJXNOCSA-N 1 0 391.556 3.996 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C(F)(F)F)nc1Cl ZINC001277927667 1040643675 /nfs/dbraw/zinc/64/36/75/1040643675.db2.gz LCEJLUNUQNTVSU-KRWDZBQOSA-N 1 0 387.833 3.897 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cc(F)c(F)c(F)c3F)C2)C1 ZINC001235343234 1040812484 /nfs/dbraw/zinc/81/24/84/1040812484.db2.gz URCBTGNHWSVQQB-IBGZPJMESA-N 1 0 386.389 3.854 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CCC(C(=O)OCC)CC1)CC2 ZINC001255257979 1040929754 /nfs/dbraw/zinc/92/97/54/1040929754.db2.gz HWXNAGWMXLIUHX-UHFFFAOYSA-N 1 0 392.540 3.609 20 30 GHEDRO CC1(C)CCC([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)CC1 ZINC001255304673 1040941827 /nfs/dbraw/zinc/94/18/27/1040941827.db2.gz OMHJMPKGCCEZFT-QHCPKHFHSA-N 1 0 382.552 3.841 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001235515990 1040971568 /nfs/dbraw/zinc/97/15/68/1040971568.db2.gz XPVSBTFWXQNVCT-UHFFFAOYSA-N 1 0 381.545 3.681 20 30 GHEDRO CN1CCC[C@@H]([NH2+]Cc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C1 ZINC001255473006 1041073520 /nfs/dbraw/zinc/07/35/20/1041073520.db2.gz MTAVSOLELKXHAK-OAQYLSRUSA-N 1 0 399.498 3.991 20 30 GHEDRO N#Cc1cc(F)c(CN2CC[NH2+][C@H](c3cccc(Br)c3)C2)c(F)c1 ZINC001235796085 1041296266 /nfs/dbraw/zinc/29/62/66/1041296266.db2.gz AMIBFEGVIORPLE-SFHVURJKSA-N 1 0 392.247 3.745 20 30 GHEDRO CCOc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)ccc1F ZINC001235811454 1041323991 /nfs/dbraw/zinc/32/39/91/1041323991.db2.gz QLAZQNCPQASQHB-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO C[NH2+][C@@H]1CCN(Cc2cc(Oc3ccc(C#N)cc3)ccc2Br)C1 ZINC001235831121 1041352997 /nfs/dbraw/zinc/35/29/97/1041352997.db2.gz FMARQFARRPQQHV-MRXNPFEDSA-N 1 0 386.293 3.907 20 30 GHEDRO N#CCCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC001255895060 1041380312 /nfs/dbraw/zinc/38/03/12/1041380312.db2.gz CLDIQMGDPKHNRS-UHFFFAOYSA-N 1 0 375.476 3.592 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(F)c(C#N)c2)nc2ccccc21 ZINC001235890701 1041416751 /nfs/dbraw/zinc/41/67/51/1041416751.db2.gz MRVKBGXHHBOZCN-UHFFFAOYSA-N 1 0 390.462 3.984 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C(CCC(=O)OCC)CCC(=O)OCC ZINC001255997860 1041468343 /nfs/dbraw/zinc/46/83/43/1041468343.db2.gz RAWOQAUNQRUIGJ-KRWDZBQOSA-N 1 0 391.508 3.957 20 30 GHEDRO COc1cc(N2CCC([N@H+](C)Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC001256097539 1041524778 /nfs/dbraw/zinc/52/47/78/1041524778.db2.gz QXLDZLVMLAQBTD-UHFFFAOYSA-N 1 0 380.448 3.576 20 30 GHEDRO COc1cccc(C[C@@H](C)[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001256164294 1041608585 /nfs/dbraw/zinc/60/85/85/1041608585.db2.gz NUIRONYKIMBDOK-KOSHJBKYSA-N 1 0 389.499 3.627 20 30 GHEDRO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](N)C(=O)OC)C2)cc1 ZINC001236273279 1041649377 /nfs/dbraw/zinc/64/93/77/1041649377.db2.gz CYCFEAYORZNMFN-TZIWHRDSSA-N 1 0 376.541 3.748 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236293041 1041662048 /nfs/dbraw/zinc/66/20/48/1041662048.db2.gz NRKQBYZCXJUCRG-HNAYVOBHSA-N 1 0 384.277 3.517 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001256285972 1041684097 /nfs/dbraw/zinc/68/40/97/1041684097.db2.gz QICSULFAVHIBTB-UHFFFAOYSA-N 1 0 398.551 3.512 20 30 GHEDRO CN(CCC#N)c1ccc(CN(Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001236368442 1041684082 /nfs/dbraw/zinc/68/40/82/1041684082.db2.gz CBCJUELVXDOOED-UHFFFAOYSA-N 1 0 380.511 3.930 20 30 GHEDRO CN(C)c1ccc(CN(Cc2ccccc2F)C2CC[NH2+]CC2)c(F)c1C#N ZINC001236370281 1041684976 /nfs/dbraw/zinc/68/49/76/1041684976.db2.gz ORGFUCXHMOTKJV-UHFFFAOYSA-N 1 0 384.474 3.657 20 30 GHEDRO N#Cc1c(N)sc(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)c1Cl ZINC001236395629 1041699807 /nfs/dbraw/zinc/69/98/07/1041699807.db2.gz MLCDOPOWGNVOPF-CQSZACIVSA-N 1 0 378.904 3.749 20 30 GHEDRO CSc1nc(CN(Cc2cc(F)ccc2C)C2CC[NH2+]CC2)ccc1C#N ZINC001236506330 1041745166 /nfs/dbraw/zinc/74/51/66/1041745166.db2.gz NUVTZGFCIBYCOM-UHFFFAOYSA-N 1 0 384.524 3.877 20 30 GHEDRO COc1ccc(CN(Cc2c[nH]c3cc(C#N)ccc23)C2CC[NH2+]CC2)cc1F ZINC001236515022 1041749098 /nfs/dbraw/zinc/74/90/98/1041749098.db2.gz FXEBVSVXALKILI-UHFFFAOYSA-N 1 0 392.478 3.941 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c(O)cc(OC)cc1Cl)CC2 ZINC001236797301 1041901718 /nfs/dbraw/zinc/90/17/18/1041901718.db2.gz LKCINISDUYJTMI-HXUWFJFHSA-N 1 0 378.900 3.587 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)c(Br)c1)C1CCN(C(C)=O)CC1 ZINC001236859505 1041931586 /nfs/dbraw/zinc/93/15/86/1041931586.db2.gz CLYZHJAEQGOJMQ-UHFFFAOYSA-N 1 0 378.314 3.544 20 30 GHEDRO N#Cc1ccc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1Br ZINC001236865085 1041934408 /nfs/dbraw/zinc/93/44/08/1041934408.db2.gz YJFWPBOCMSRBKK-WOJBJXKFSA-N 1 0 396.332 3.885 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)cc(Cl)cc3OC)CC2)C1=O ZINC001278031547 1041966725 /nfs/dbraw/zinc/96/67/25/1041966725.db2.gz XWDXMWDSNNIBTA-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237118027 1042047704 /nfs/dbraw/zinc/04/77/04/1042047704.db2.gz SXMNWJDHQIAWBV-LJQANCHMSA-N 1 0 398.425 3.824 20 30 GHEDRO CCn1cc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(-c2ccccc2)n1 ZINC001462593338 1070396826 /nfs/dbraw/zinc/39/68/26/1070396826.db2.gz HDLZODCVTPSZBK-NRFANRHFSA-N 1 0 386.503 3.913 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c2cc(C#N)ccc21 ZINC001237466340 1042219346 /nfs/dbraw/zinc/21/93/46/1042219346.db2.gz KLGGKMKSOOSEJQ-HXUWFJFHSA-N 1 0 379.504 3.600 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c2cc(C#N)ccc21 ZINC001237472634 1042223847 /nfs/dbraw/zinc/22/38/47/1042223847.db2.gz KTYLEINOMCQJCL-HXUWFJFHSA-N 1 0 390.462 3.583 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3ncnc(Cl)c3c1)C2 ZINC001237576267 1042269321 /nfs/dbraw/zinc/26/93/21/1042269321.db2.gz JXHQZXVSJWJFOX-TZIWHRDSSA-N 1 0 387.911 3.857 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3ncnc(Cl)c3c1)CC2 ZINC001237577378 1042270150 /nfs/dbraw/zinc/27/01/50/1042270150.db2.gz RLYBSUADRLAESP-NRFANRHFSA-N 1 0 384.911 3.816 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+]2Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237603609 1042278104 /nfs/dbraw/zinc/27/81/04/1042278104.db2.gz DNYDLYSMLAAQJX-UHFFFAOYSA-N 1 0 395.507 3.571 20 30 GHEDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1F ZINC001237959660 1042438394 /nfs/dbraw/zinc/43/83/94/1042438394.db2.gz YXIDWGZDFBNEAL-QHCPKHFHSA-N 1 0 393.462 3.725 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)c(Cl)c1 ZINC001238083794 1042485949 /nfs/dbraw/zinc/48/59/49/1042485949.db2.gz XZRAUPKSAFHRHA-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)ccc1C#N ZINC001238406528 1042586110 /nfs/dbraw/zinc/58/61/10/1042586110.db2.gz GTLVKFQIPWTGMG-NRFANRHFSA-N 1 0 381.501 3.566 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)c(OC(C)C)c3F)C2)C1=O ZINC001238529994 1042630570 /nfs/dbraw/zinc/63/05/70/1042630570.db2.gz DFHZZFXCFUEROC-NRFANRHFSA-N 1 0 378.463 3.753 20 30 GHEDRO COc1cc(C)cc(F)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001238587140 1042648231 /nfs/dbraw/zinc/64/82/31/1042648231.db2.gz WZPHTRCWDVIKAS-QHCPKHFHSA-N 1 0 393.462 3.643 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)ccc1C#N ZINC001238761353 1042718278 /nfs/dbraw/zinc/71/82/78/1042718278.db2.gz BKIBKRUPWUJKQJ-DEOSSOPVSA-N 1 0 388.515 3.673 20 30 GHEDRO CCCCCCCCCCCCOC(=O)NCc1nnn2c1C[NH2+]CCC2 ZINC001239316465 1042808145 /nfs/dbraw/zinc/80/81/45/1042808145.db2.gz BRPNCQGBMMXYPW-UHFFFAOYSA-N 1 0 379.549 3.919 20 30 GHEDRO N#Cc1cccc(NC(=S)NCC2(Cc3cccc(F)c3)CC[NH2+]CC2)c1 ZINC001239383859 1042817929 /nfs/dbraw/zinc/81/79/29/1042817929.db2.gz HAWQABPINOVHTM-UHFFFAOYSA-N 1 0 382.508 3.596 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2(Cc3cccc(F)c3)CC[NH2+]CC2)cc1 ZINC001239385213 1042818716 /nfs/dbraw/zinc/81/87/16/1042818716.db2.gz RVUYVWZDIMUXAO-UHFFFAOYSA-N 1 0 382.508 3.596 20 30 GHEDRO N#Cc1ccc(NC(=S)NC[C@]2(CC3CC3)CCC[NH2+]2)cc1C(F)(F)F ZINC001239397010 1042822947 /nfs/dbraw/zinc/82/29/47/1042822947.db2.gz TZGMSVLTBJCCKE-QGZVFWFLSA-N 1 0 382.455 3.786 20 30 GHEDRO N#Cc1cc(-c2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc(C2C[NH2+]C2)c1 ZINC001240343687 1042922281 /nfs/dbraw/zinc/92/22/81/1042922281.db2.gz SYBIUSOYLDFTCW-UHFFFAOYSA-N 1 0 381.361 3.783 20 30 GHEDRO N#Cc1cc(-c2ncnc3c2ccn3Cc2cccc(F)c2)cc(C2C[NH2+]C2)c1 ZINC001240338367 1042922411 /nfs/dbraw/zinc/92/24/11/1042922411.db2.gz SCCXBHRBHYRNPJ-UHFFFAOYSA-N 1 0 383.430 3.844 20 30 GHEDRO N#Cc1cc(-c2ncc3c(c2C#N)N(Cc2ccccc2)CC3)cc(C2C[NH2+]C2)c1 ZINC001240343109 1042922464 /nfs/dbraw/zinc/92/24/64/1042922464.db2.gz ICRLDBRYNQSHDB-UHFFFAOYSA-N 1 0 391.478 3.741 20 30 GHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240366679 1042923496 /nfs/dbraw/zinc/92/34/96/1042923496.db2.gz RXFXRJUAAMXDIJ-QGZVFWFLSA-N 1 0 388.471 3.965 20 30 GHEDRO N#Cc1c(-c2ccccc2)ccnc1-c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001240812549 1042955169 /nfs/dbraw/zinc/95/51/69/1042955169.db2.gz WFUAHPNANYXSAI-UHFFFAOYSA-N 1 0 380.451 3.861 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001291045337 1043051900 /nfs/dbraw/zinc/05/19/00/1043051900.db2.gz BUFGBDRVPAILBA-ZWKOTPCHSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001291127875 1043096120 /nfs/dbraw/zinc/09/61/20/1043096120.db2.gz NLQZYDBEVPFOMJ-OALUTQOASA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCCC1 ZINC001291131404 1043098032 /nfs/dbraw/zinc/09/80/32/1043098032.db2.gz BKRWQKZKYKDACG-GOSISDBHSA-N 1 0 378.524 3.681 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1 ZINC001291136989 1043104104 /nfs/dbraw/zinc/10/41/04/1043104104.db2.gz IDKVJECQASPCFM-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001291442167 1043258869 /nfs/dbraw/zinc/25/88/69/1043258869.db2.gz ZFTZSYPIUMMLQG-JXFKEZNVSA-N 1 0 380.540 3.640 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCC[NH+]1CCCCC1 ZINC001291506301 1043314737 /nfs/dbraw/zinc/31/47/37/1043314737.db2.gz WXVZDQMKXMZHTC-GHTZIAJQSA-N 1 0 390.551 3.890 20 30 GHEDRO C#CCN(CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C(=O)OC(C)(C)C ZINC001291584431 1043350594 /nfs/dbraw/zinc/35/05/94/1043350594.db2.gz DMQITYKIVKOAPW-SFHVURJKSA-N 1 0 399.535 3.870 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001291766187 1043451556 /nfs/dbraw/zinc/45/15/56/1043451556.db2.gz AVZIOBVXADBKQS-GOSISDBHSA-N 1 0 380.540 3.805 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C2)CC1 ZINC001256536672 1043481663 /nfs/dbraw/zinc/48/16/63/1043481663.db2.gz IMFZFUXQSIVBAP-UNMCSNQZSA-N 1 0 397.563 3.760 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCN(Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256544896 1043502592 /nfs/dbraw/zinc/50/25/92/1043502592.db2.gz PTIGSFYSNZIJGR-RBBKRZOGSA-N 1 0 381.564 3.683 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(C1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001256607702 1043572116 /nfs/dbraw/zinc/57/21/16/1043572116.db2.gz RSGNFCHPCMIRFD-ISKFKSNPSA-N 1 0 384.564 3.725 20 30 GHEDRO N#CC1CCC([N@@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)CC1 ZINC001256968378 1043776763 /nfs/dbraw/zinc/77/67/63/1043776763.db2.gz SNKAEAPAQAOOKQ-GQOXECLESA-N 1 0 385.483 3.575 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](C3CCC(C#N)CC3)CC2)c2cc(C)ccc21 ZINC001256968459 1043777078 /nfs/dbraw/zinc/77/70/78/1043777078.db2.gz UYCHWPLQHSKDRX-NGICGMGXSA-N 1 0 380.536 3.785 20 30 GHEDRO CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@H](CC)c2cccc(C#N)c2)CC1 ZINC001256997003 1043793185 /nfs/dbraw/zinc/79/31/85/1043793185.db2.gz YQZAZOUPNRBOJL-LJQANCHMSA-N 1 0 386.492 3.654 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3C[C@H]4CN(C(=O)c5ccco5)C[C@@H]4C3)CC2)cc1 ZINC001257019368 1043803221 /nfs/dbraw/zinc/80/32/21/1043803221.db2.gz IXYIUPJFQPSNSK-INAZGPRKSA-N 1 0 389.499 3.881 20 30 GHEDRO CCCCCCCCCC[C@@H](C)[N@@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001257550074 1044036073 /nfs/dbraw/zinc/03/60/73/1044036073.db2.gz HNFRLNCAKZYXAU-IRLDBZIGSA-N 1 0 382.589 3.855 20 30 GHEDRO C=CCOCc1nn([C@H](C)Cc2ccc(Br)cc2)c2c1C[NH2+]C2 ZINC001257563427 1044048655 /nfs/dbraw/zinc/04/86/55/1044048655.db2.gz KQWUEKSIHHAEET-CYBMUJFWSA-N 1 0 376.298 3.755 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+](CC)CC ZINC001293424836 1044170208 /nfs/dbraw/zinc/17/02/08/1044170208.db2.gz LELJGNJEGQLRLT-FQEVSTJZSA-N 1 0 380.540 3.927 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001293460600 1044191199 /nfs/dbraw/zinc/19/11/99/1044191199.db2.gz FEOSZRIXQGOINT-MSOLQXFVSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001293460580 1044191433 /nfs/dbraw/zinc/19/14/33/1044191433.db2.gz DSNBTNCXNLHSRY-LJQANCHMSA-N 1 0 392.551 3.785 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(C[C@@H](COC)N(c5ncccn5)C4)CC3)C[C@H](C1)C2 ZINC001257892363 1044247035 /nfs/dbraw/zinc/24/70/35/1044247035.db2.gz XRZCIYOZOABBFG-PJEZACDQSA-N 1 0 396.579 3.919 20 30 GHEDRO C=CCc1c(F)c(F)c(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)c(F)c1F ZINC001258136661 1044421199 /nfs/dbraw/zinc/42/11/99/1044421199.db2.gz CRFKPBVTAZREQJ-GHMZBOCLSA-N 1 0 399.388 3.673 20 30 GHEDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc(C#Cc4ccccc4)cc3)o2)C[C@H](C)O1 ZINC001258137541 1044422481 /nfs/dbraw/zinc/42/24/81/1044422481.db2.gz ILFCRLOHFXGEDN-KDURUIRLSA-N 1 0 387.483 3.788 20 30 GHEDRO C[C@H]1C[NH+](CCc2nnc(-c3c(Cl)cc(C#N)cc3Cl)o2)C[C@H](C)O1 ZINC001258145007 1044431568 /nfs/dbraw/zinc/43/15/68/1044431568.db2.gz FZZUBMALLDZUAY-QWRGUYRKSA-N 1 0 381.263 3.567 20 30 GHEDRO CC1(C)COC2(CCC([NH+]3CCN(c4ccc(C#N)cc4F)CC3)CC2)OC1 ZINC001258526344 1044606185 /nfs/dbraw/zinc/60/61/85/1044606185.db2.gz FXUBDNVZAOSMNH-UHFFFAOYSA-N 1 0 387.499 3.531 20 30 GHEDRO C=CCC[C@@H](C)N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001258727969 1044733653 /nfs/dbraw/zinc/73/36/53/1044733653.db2.gz KSSGFVHEFMXAHW-GOSISDBHSA-N 1 0 390.535 3.953 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC001295134916 1044927672 /nfs/dbraw/zinc/92/76/72/1044927672.db2.gz OFVWRRPJRBBXJW-UHFFFAOYSA-N 1 0 379.342 3.837 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1)C1CC1 ZINC001295835543 1045159488 /nfs/dbraw/zinc/15/94/88/1045159488.db2.gz GQIRGNMVFKCDQR-UHFFFAOYSA-N 1 0 396.514 3.699 20 30 GHEDRO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001298586183 1045882641 /nfs/dbraw/zinc/88/26/41/1045882641.db2.gz SKGUGLMATRYAAJ-SFTDATJTSA-N 1 0 380.532 3.815 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001300909108 1046235541 /nfs/dbraw/zinc/23/55/41/1046235541.db2.gz KLIABDDZMXIFBT-OAQYLSRUSA-N 1 0 392.551 3.989 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001301029027 1046295816 /nfs/dbraw/zinc/29/58/16/1046295816.db2.gz FAJKUZFGNQQORI-CVEARBPZSA-N 1 0 389.931 3.625 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001301035045 1046300124 /nfs/dbraw/zinc/30/01/24/1046300124.db2.gz ZPITYFKIQKXGHT-UHFFFAOYSA-N 1 0 390.963 3.974 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301087458 1046331822 /nfs/dbraw/zinc/33/18/22/1046331822.db2.gz IBYMXHGQLPECIU-FQEVSTJZSA-N 1 0 394.567 3.685 20 30 GHEDRO C=C1CCN(c2nnc(COCC)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301097100 1046339813 /nfs/dbraw/zinc/33/98/13/1046339813.db2.gz OMWOLBYRUICJMC-BGYRXZFFSA-N 1 0 389.588 3.729 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001301118964 1046355230 /nfs/dbraw/zinc/35/52/30/1046355230.db2.gz QISBNJDIMIHRFC-LJQANCHMSA-N 1 0 392.507 3.638 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001301118889 1046355260 /nfs/dbraw/zinc/35/52/60/1046355260.db2.gz NPGFGFBCNRBEBB-HXUWFJFHSA-N 1 0 394.567 3.863 20 30 GHEDRO C=CCn1c(-c2oc3ccccc3c2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001262857872 1046386936 /nfs/dbraw/zinc/38/69/36/1046386936.db2.gz LWDNZPSLJAPXMV-UHFFFAOYSA-N 1 0 377.492 3.860 20 30 GHEDRO C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001301208766 1046405011 /nfs/dbraw/zinc/40/50/11/1046405011.db2.gz CZMSWMWXAOONCM-HZPDHXFCSA-N 1 0 388.947 3.879 20 30 GHEDRO C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001301210987 1046405704 /nfs/dbraw/zinc/40/57/04/1046405704.db2.gz AUZGEAWWLBZIAF-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001301227907 1046416725 /nfs/dbraw/zinc/41/67/25/1046416725.db2.gz XGOVLHQGDBVOQQ-JKSUJKDBSA-N 1 0 388.585 3.519 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@@H]1CCC(F)(F)C1 ZINC001262939998 1046437394 /nfs/dbraw/zinc/43/73/94/1046437394.db2.gz TUWSZYCMROSNOG-CQSZACIVSA-N 1 0 391.470 3.574 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001262946037 1046443046 /nfs/dbraw/zinc/44/30/46/1046443046.db2.gz GIQMNGPQBPMZRP-LJQANCHMSA-N 1 0 384.572 3.505 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001301283207 1046452698 /nfs/dbraw/zinc/45/26/98/1046452698.db2.gz SINUTRTWMKNKRO-MBSDFSHPSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001301310880 1046473707 /nfs/dbraw/zinc/47/37/07/1046473707.db2.gz UNAVFZJLXAFJIO-VQTJNVASSA-N 1 0 383.540 3.835 20 30 GHEDRO C=CCN(c1nnc(C)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1)C1CC1 ZINC001301314236 1046477848 /nfs/dbraw/zinc/47/78/48/1046477848.db2.gz QJUXIMMGONIBKZ-HXUWFJFHSA-N 1 0 381.524 3.587 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C)C1CC1 ZINC001301334245 1046497470 /nfs/dbraw/zinc/49/74/70/1046497470.db2.gz FQKRGZOAZPGVGP-VQTJNVASSA-N 1 0 399.514 3.726 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1)C(C)C ZINC001301366769 1046512041 /nfs/dbraw/zinc/51/20/41/1046512041.db2.gz IICVBZOOMBYIEL-QYZOEREBSA-N 1 0 377.552 3.894 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263051498 1046535467 /nfs/dbraw/zinc/53/54/67/1046535467.db2.gz ZDAFIFKDKNIWFZ-UYAOXDASSA-N 1 0 380.540 3.664 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001301555332 1046595988 /nfs/dbraw/zinc/59/59/88/1046595988.db2.gz VJBPGAIESJZNMK-UXHICEINSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC[C@@H]1CC ZINC001263278492 1046671357 /nfs/dbraw/zinc/67/13/57/1046671357.db2.gz KWVMPRZDXPSAIH-AZUAARDMSA-N 1 0 387.572 3.939 20 30 GHEDRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N(C)C[C@@H](C)C#N)C(C)C ZINC001301973621 1046771189 /nfs/dbraw/zinc/77/11/89/1046771189.db2.gz JPHIDJXRTMHHRG-KRWDZBQOSA-N 1 0 388.585 3.645 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC001302115763 1046823043 /nfs/dbraw/zinc/82/30/43/1046823043.db2.gz SNQWFUCYGGJTOY-IBGZPJMESA-N 1 0 389.421 3.929 20 30 GHEDRO CON(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001302340160 1046914791 /nfs/dbraw/zinc/91/47/91/1046914791.db2.gz ZZIQWBPYEGTDSW-IRXDYDNUSA-N 1 0 396.539 3.571 20 30 GHEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000604441056 1047244947 /nfs/dbraw/zinc/24/49/47/1047244947.db2.gz VAGXSYRULOTETN-NRFANRHFSA-N 1 0 379.504 3.843 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001303263527 1047328606 /nfs/dbraw/zinc/32/86/06/1047328606.db2.gz PEENXBMGDCVJLQ-FPOVZHCZSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001303264127 1047329187 /nfs/dbraw/zinc/32/91/87/1047329187.db2.gz UTIBUMXNNWOZCQ-WOJBJXKFSA-N 1 0 378.524 3.536 20 30 GHEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001303274003 1047336445 /nfs/dbraw/zinc/33/64/45/1047336445.db2.gz PSRAYHDJOLYHFT-PMACEKPBSA-N 1 0 379.435 3.798 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCC(C#N)CC2)C1 ZINC001303305953 1047352193 /nfs/dbraw/zinc/35/21/93/1047352193.db2.gz XAODERJYKRFWCN-IBGZPJMESA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@@H](Cn1c(CCc2ccccc2)nnc1N(C)[C@@H](C)CC#N)C[NH+]1CCCC1 ZINC001303750889 1047504387 /nfs/dbraw/zinc/50/43/87/1047504387.db2.gz CWSKCYYYAXDMTB-UXHICEINSA-N 1 0 394.567 3.534 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000599526854 1047538693 /nfs/dbraw/zinc/53/86/93/1047538693.db2.gz VBQBLDYWOMAUAK-ZBFHGGJFSA-N 1 0 381.339 3.670 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001304294528 1047636818 /nfs/dbraw/zinc/63/68/18/1047636818.db2.gz QWGGBARVOGGKQP-GVDBMIGSSA-N 1 0 384.528 3.705 20 30 GHEDRO Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2sc(Cl)nc2Cl)cc1C#N ZINC001279170592 1047735785 /nfs/dbraw/zinc/73/57/85/1047735785.db2.gz BWCVYXXVIHAGRL-BETUJISGSA-N 1 0 396.347 3.509 20 30 GHEDRO CC1CC[NH+](CCn2c(-c3ccccc3)nnc2N(CCC#N)CC2CC2)CC1 ZINC001305106875 1047905531 /nfs/dbraw/zinc/90/55/31/1047905531.db2.gz GOLBCZRVJVKGKS-UHFFFAOYSA-N 1 0 392.551 3.807 20 30 GHEDRO N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2ccc(F)c(Cl)c2)CCC1 ZINC001279848119 1047967113 /nfs/dbraw/zinc/96/71/13/1047967113.db2.gz HBGPJEPLOXJWOH-IDCJVQTKSA-N 1 0 375.875 3.546 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001305376745 1048000186 /nfs/dbraw/zinc/00/01/86/1048000186.db2.gz ODHHWICZCSTYKJ-SQNIBIBYSA-N 1 0 384.528 3.818 20 30 GHEDRO CCCCCCCNC(=S)N1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279957274 1048011227 /nfs/dbraw/zinc/01/12/27/1048011227.db2.gz QFCPEKRVYVTOHS-HXUWFJFHSA-N 1 0 377.602 3.543 20 30 GHEDRO N#CCC1CN(C(=O)[C@@]23C[C@@H]2C[N@H+](Cc2ccc(-c4cccs4)s2)C3)C1 ZINC001280267283 1048151637 /nfs/dbraw/zinc/15/16/37/1048151637.db2.gz AQPQWVJHJAUXEM-FOIQADDNSA-N 1 0 383.542 3.671 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2ccc(-c4cccs4)s2)C3)CCC1 ZINC001280269374 1048153714 /nfs/dbraw/zinc/15/37/14/1048153714.db2.gz ORRMAKFFGNZUSB-OAHLLOKOSA-N 1 0 383.542 3.861 20 30 GHEDRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N(C)C[C@@H](C)C#N)[NH+](C)C ZINC001305711258 1048227129 /nfs/dbraw/zinc/22/71/29/1048227129.db2.gz ZPNQQTDMVDNEFZ-PXNSSMCTSA-N 1 0 382.556 3.907 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@@H+](C)[C@H](C)CC ZINC001286286086 1048255241 /nfs/dbraw/zinc/25/52/41/1048255241.db2.gz SXKRYRRGBOJHQD-MSOLQXFVSA-N 1 0 392.551 3.625 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001286296340 1048260610 /nfs/dbraw/zinc/26/06/10/1048260610.db2.gz NUMDKKKSNFKZHR-DLBZAZTESA-N 1 0 387.959 3.711 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001286296342 1048261226 /nfs/dbraw/zinc/26/12/26/1048261226.db2.gz NUMDKKKSNFKZHR-IRXDYDNUSA-N 1 0 387.959 3.711 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001286303779 1048265726 /nfs/dbraw/zinc/26/57/26/1048265726.db2.gz KEVZURZZSDZXLY-NHCUHLMSSA-N 1 0 393.579 3.642 20 30 GHEDRO C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)[NH+](C)C ZINC001286363143 1048290524 /nfs/dbraw/zinc/29/05/24/1048290524.db2.gz OBOWPFRJVLVOLX-ZDUSSCGKSA-N 1 0 387.940 3.833 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001286367951 1048292674 /nfs/dbraw/zinc/29/26/74/1048292674.db2.gz OINJBARXSLPTHB-KRWDZBQOSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(CC#C)c1nnc([C@H](C)CC)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286397637 1048301734 /nfs/dbraw/zinc/30/17/34/1048301734.db2.gz ONCFBKZMRHTJGM-PCCBWWKXSA-N 1 0 383.584 3.623 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)C)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001286419242 1048312744 /nfs/dbraw/zinc/31/27/44/1048312744.db2.gz ORLXPLQOOBLOOG-UHFFFAOYSA-N 1 0 389.547 3.509 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286446391 1048327642 /nfs/dbraw/zinc/32/76/42/1048327642.db2.gz GBWMRWRMINLZGX-OAQYLSRUSA-N 1 0 397.542 3.588 20 30 GHEDRO C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001286449174 1048328414 /nfs/dbraw/zinc/32/84/14/1048328414.db2.gz MSZUAZVMYVSWTJ-OAQYLSRUSA-N 1 0 385.600 3.981 20 30 GHEDRO C#CCSCCn1c([C@H](C)CC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001286496509 1048337301 /nfs/dbraw/zinc/33/73/01/1048337301.db2.gz SLNPNMAPIHRIOU-GOSISDBHSA-N 1 0 391.629 3.715 20 30 GHEDRO C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286500430 1048339235 /nfs/dbraw/zinc/33/92/35/1048339235.db2.gz XQKDBOVBACYEQV-OALUTQOASA-N 1 0 397.592 3.539 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001286516047 1048344056 /nfs/dbraw/zinc/34/40/56/1048344056.db2.gz BOKIVUZUNZFUFN-WMZHIEFXSA-N 1 0 385.600 3.936 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001286519645 1048346056 /nfs/dbraw/zinc/34/60/56/1048346056.db2.gz ZCATWEWNXJEHGS-NGYIFUPDSA-N 1 0 391.563 3.879 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001286547896 1048358640 /nfs/dbraw/zinc/35/86/40/1048358640.db2.gz QOLJFMLQKKCVNX-AZUAARDMSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCC(C)CC1 ZINC001286571461 1048371019 /nfs/dbraw/zinc/37/10/19/1048371019.db2.gz QLJLGFOAORCGBS-UHFFFAOYSA-N 1 0 392.551 3.951 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001286621194 1048392714 /nfs/dbraw/zinc/39/27/14/1048392714.db2.gz CVWQVQGDVOAAJO-MRXNPFEDSA-N 1 0 377.920 3.767 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286644059 1048409624 /nfs/dbraw/zinc/40/96/24/1048409624.db2.gz GMXUIVAUJHWSSI-HXUWFJFHSA-N 1 0 394.567 3.865 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286673532 1048437946 /nfs/dbraw/zinc/43/79/46/1048437946.db2.gz YCZSVAZPPDPTAB-SFHVURJKSA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286699524 1048459971 /nfs/dbraw/zinc/45/99/71/1048459971.db2.gz SJYJHOPXUFXDDQ-GOSISDBHSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCCOCCn1c(CC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001286712622 1048469016 /nfs/dbraw/zinc/46/90/16/1048469016.db2.gz FBGGNTSZTZVUEX-WOJBJXKFSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001286730163 1048486911 /nfs/dbraw/zinc/48/69/11/1048486911.db2.gz NRAOJIUBFQXBIG-OAQYLSRUSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC001286737505 1048495621 /nfs/dbraw/zinc/49/56/21/1048495621.db2.gz QHNZPPXYJXHVNL-IBGZPJMESA-N 1 0 394.567 3.683 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001286756023 1048508671 /nfs/dbraw/zinc/50/86/71/1048508671.db2.gz GCBSHJGKZIXMIT-UHFFFAOYSA-N 1 0 399.583 3.617 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001286808280 1048534703 /nfs/dbraw/zinc/53/47/03/1048534703.db2.gz KJRVRHSUHVZMGS-QUCCMNQESA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)C1 ZINC001286809225 1048536161 /nfs/dbraw/zinc/53/61/61/1048536161.db2.gz HLHUSMZGHNPUQF-FQEVSTJZSA-N 1 0 387.572 3.593 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Oc3ccccc3)cc2C)c1C#N ZINC001306286274 1048543378 /nfs/dbraw/zinc/54/33/78/1048543378.db2.gz QLXLWJONIXQVNW-UHFFFAOYSA-N 1 0 389.459 3.786 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001306320903 1048566026 /nfs/dbraw/zinc/56/60/26/1048566026.db2.gz BWLHQNKKFOSZSN-DENIHFKCSA-N 1 0 384.572 3.940 20 30 GHEDRO CC(C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001287198031 1048645563 /nfs/dbraw/zinc/64/55/63/1048645563.db2.gz VPFOKBLBDGDMCR-HXUWFJFHSA-N 1 0 380.540 3.834 20 30 GHEDRO CC(C)Cc1nnc(N(C)[C@H](C)CC#N)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001287349680 1048725849 /nfs/dbraw/zinc/72/58/49/1048725849.db2.gz QUIIDCJVVMKHRF-SLFFLAALSA-N 1 0 388.604 3.973 20 30 GHEDRO CCCCn1c(CC(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001306711353 1048841635 /nfs/dbraw/zinc/84/16/35/1048841635.db2.gz NPGCXWUVXVBEKH-UHFFFAOYSA-N 1 0 394.567 3.861 20 30 GHEDRO Cc1cc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c(C#N)cn1 ZINC001306928819 1048964692 /nfs/dbraw/zinc/96/46/92/1048964692.db2.gz AGUYNJRQYJMXPC-UHFFFAOYSA-N 1 0 397.526 3.618 20 30 GHEDRO CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001307003346 1049002059 /nfs/dbraw/zinc/00/20/59/1049002059.db2.gz XBIDYNBBOZFRGJ-HXUWFJFHSA-N 1 0 380.540 3.927 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@@](F)(C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001288636363 1049175299 /nfs/dbraw/zinc/17/52/99/1049175299.db2.gz HANAGPICWZHCPR-HTAPYJJXSA-N 1 0 396.514 3.508 20 30 GHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1OC ZINC001307450847 1049287712 /nfs/dbraw/zinc/28/77/12/1049287712.db2.gz OYSKWUOYTPBAKI-PMACEKPBSA-N 1 0 386.536 3.936 20 30 GHEDRO CCOCCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)C(=O)OC ZINC001307477801 1049316276 /nfs/dbraw/zinc/31/62/76/1049316276.db2.gz OAFQMNHWLRDAOQ-INIZCTEOSA-N 1 0 385.426 3.595 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H](C3CC3)C2)c1C#N ZINC001307590078 1049428595 /nfs/dbraw/zinc/42/85/95/1049428595.db2.gz LVNDLQODRHRNLL-KRWDZBQOSA-N 1 0 380.467 3.775 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1cc(Cl)ccc1OC(F)F ZINC001307618063 1049453086 /nfs/dbraw/zinc/45/30/86/1049453086.db2.gz VQLOXOHLDFZLIO-WFASDCNBSA-N 1 0 396.821 3.904 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCCc2ccccc2CC1 ZINC001307773492 1049582818 /nfs/dbraw/zinc/58/28/18/1049582818.db2.gz NSQYDELWHWAQTF-IBGZPJMESA-N 1 0 391.515 3.821 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001307926153 1049700246 /nfs/dbraw/zinc/70/02/46/1049700246.db2.gz NXOQLKBTMKNJNZ-MQSCRBSSSA-N 1 0 386.536 3.875 20 30 GHEDRO CCC(O)(CC)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001307979506 1049736405 /nfs/dbraw/zinc/73/64/05/1049736405.db2.gz HJUHIVDKEKHMDP-AWEZNQCLSA-N 1 0 377.554 3.556 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001308023701 1049775782 /nfs/dbraw/zinc/77/57/82/1049775782.db2.gz MNKQCIGTXPFEIB-KRWDZBQOSA-N 1 0 390.487 3.944 20 30 GHEDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2csc(C#N)c2)c2c(F)cccc2Cl)CCO1 ZINC001308202846 1049911232 /nfs/dbraw/zinc/91/12/32/1049911232.db2.gz LGLHVKNQKDLIJT-ACJLOTCBSA-N 1 0 393.915 3.964 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c2c1 ZINC001306935264 1049972816 /nfs/dbraw/zinc/97/28/16/1049972816.db2.gz MMDMQSSRKFUNAE-JZXOWHBKSA-N 1 0 394.519 3.965 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308888410 1050141116 /nfs/dbraw/zinc/14/11/16/1050141116.db2.gz PIAWMYUXIOXNMH-CEXWTWQISA-N 1 0 379.342 3.602 20 30 GHEDRO CCOC(=O)c1csc(CC2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)n1 ZINC001308918916 1050167826 /nfs/dbraw/zinc/16/78/26/1050167826.db2.gz RTBCLBFELRLABX-UHFFFAOYSA-N 1 0 399.516 3.655 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@@H]1c1ccc(F)cc1 ZINC001328707860 1050599410 /nfs/dbraw/zinc/59/94/10/1050599410.db2.gz CNTKGGDDLRKMBS-FKBYEOEOSA-N 1 0 392.478 3.819 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)C1 ZINC001328773363 1050633233 /nfs/dbraw/zinc/63/32/33/1050633233.db2.gz YJFGQKQTZVXDKG-MOPGFXCFSA-N 1 0 379.932 3.709 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001329184801 1050742495 /nfs/dbraw/zinc/74/24/95/1050742495.db2.gz RQSHHLCMTYZQRD-NJDAHSKKSA-N 1 0 396.556 3.767 20 30 GHEDRO N#CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001330290187 1050994888 /nfs/dbraw/zinc/99/48/88/1050994888.db2.gz QIAHOZBNWSSVST-FRIKZZABSA-N 1 0 380.536 3.907 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001310370408 1051312428 /nfs/dbraw/zinc/31/24/28/1051312428.db2.gz ANQDHTGEDDUSRI-SFHVURJKSA-N 1 0 389.858 3.916 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001310416323 1051341460 /nfs/dbraw/zinc/34/14/60/1051341460.db2.gz CXULFRNZTQLQLE-UHFFFAOYSA-N 1 0 392.503 3.669 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001332010803 1051437511 /nfs/dbraw/zinc/43/75/11/1051437511.db2.gz NUAQCRXFOYGTTK-IPHXSNPTSA-N 1 0 380.467 3.845 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cnn1C ZINC001332362561 1051505360 /nfs/dbraw/zinc/50/53/60/1051505360.db2.gz YGENSDWHXQFXJD-HZPDHXFCSA-N 1 0 389.544 3.699 20 30 GHEDRO C[C@]1(CNC(=O)Nc2nc(Cl)c(C#N)s2)CC[N@H+](Cc2ccccc2)C1 ZINC001310857529 1051655097 /nfs/dbraw/zinc/65/50/97/1051655097.db2.gz CUHMLYJCAQPLJZ-GOSISDBHSA-N 1 0 389.912 3.702 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC001310961651 1051735458 /nfs/dbraw/zinc/73/54/58/1051735458.db2.gz WIBDSDAKTXNPQX-UHFFFAOYSA-N 1 0 393.491 3.860 20 30 GHEDRO CCN(C(=O)Nc1cc(C)c(C#N)cn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001311070489 1051824334 /nfs/dbraw/zinc/82/43/34/1051824334.db2.gz PRFGSLRXPBRCPQ-YLJYHZDGSA-N 1 0 377.492 3.951 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001333813117 1051846447 /nfs/dbraw/zinc/84/64/47/1051846447.db2.gz DIZGQEFVNFZOKA-XLSPSMHOSA-N 1 0 377.479 3.954 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(C(=O)c3ccccc3)c2)CC1 ZINC001311124691 1051880652 /nfs/dbraw/zinc/88/06/52/1051880652.db2.gz LKQNVGTUGVXTDL-UHFFFAOYSA-N 1 0 377.488 3.998 20 30 GHEDRO OC1CCC(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC001335156804 1052044625 /nfs/dbraw/zinc/04/46/25/1052044625.db2.gz TZSNBJQBEILWEH-TVUZUIDESA-N 1 0 381.307 3.640 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC001311416752 1052121041 /nfs/dbraw/zinc/12/10/41/1052121041.db2.gz RTYNYHAIIGJNKQ-UHFFFAOYSA-N 1 0 375.516 3.605 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001311792639 1052400314 /nfs/dbraw/zinc/40/03/14/1052400314.db2.gz POVFFDIVAXQCAV-UHFFFAOYSA-N 1 0 382.552 3.787 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001311880475 1052452708 /nfs/dbraw/zinc/45/27/08/1052452708.db2.gz WBMPNQSJSNOAHJ-GOTSBHOMSA-N 1 0 399.579 3.612 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cccc(Br)c2C)CC1 ZINC001311891242 1052460737 /nfs/dbraw/zinc/46/07/37/1052460737.db2.gz JEEFINCXJUULGM-UHFFFAOYSA-N 1 0 394.357 3.640 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC001312021143 1052533257 /nfs/dbraw/zinc/53/32/57/1052533257.db2.gz RCJUASAJAVSBHW-NRFANRHFSA-N 1 0 399.922 3.692 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC001312365767 1052713670 /nfs/dbraw/zinc/71/36/70/1052713670.db2.gz JSRFWEVWNPSUML-UHFFFAOYSA-N 1 0 385.508 3.731 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1C#N ZINC001312558085 1052790754 /nfs/dbraw/zinc/79/07/54/1052790754.db2.gz OZDNBBUMMWNZIS-QFIPXVFZSA-N 1 0 378.520 3.823 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312630206 1052817549 /nfs/dbraw/zinc/81/75/49/1052817549.db2.gz YZELGHXCXQLEMR-GOTSBHOMSA-N 1 0 377.532 3.995 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312630208 1052817770 /nfs/dbraw/zinc/81/77/70/1052817770.db2.gz YZELGHXCXQLEMR-XZOQPEGZSA-N 1 0 377.532 3.995 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@H]3C3CC3)CC2)cc1 ZINC001312856149 1052894479 /nfs/dbraw/zinc/89/44/79/1052894479.db2.gz HQMUVXLIVVGTKE-VXKWHMMOSA-N 1 0 380.536 3.602 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001313004204 1052931184 /nfs/dbraw/zinc/93/11/84/1052931184.db2.gz FSHGGTLALPFMED-VXKWHMMOSA-N 1 0 380.536 3.910 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC001313124581 1052964028 /nfs/dbraw/zinc/96/40/28/1052964028.db2.gz RRTUZLRSDXANFJ-YOEHRIQHSA-N 1 0 386.323 3.583 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001342336222 1053114305 /nfs/dbraw/zinc/11/43/05/1053114305.db2.gz YVYSGHTVXKSPRK-UXHICEINSA-N 1 0 384.572 3.791 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N(C)Cc1cnccn1 ZINC001342356221 1053125871 /nfs/dbraw/zinc/12/58/71/1053125871.db2.gz VUXOZIKPYJLYHC-HXUWFJFHSA-N 1 0 395.555 3.750 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001342368431 1053132455 /nfs/dbraw/zinc/13/24/55/1053132455.db2.gz OHIZDPXLGWBDCR-GOSISDBHSA-N 1 0 375.586 3.529 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCCC(F)(F)CC1 ZINC001342454935 1053179168 /nfs/dbraw/zinc/17/91/68/1053179168.db2.gz OCWRUTXRJSFIHH-AYHJJNSGSA-N 1 0 393.526 3.895 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001313712252 1053184636 /nfs/dbraw/zinc/18/46/36/1053184636.db2.gz MDLXKDTZGOMJMI-UXHICEINSA-N 1 0 378.524 3.537 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313760787 1053208901 /nfs/dbraw/zinc/20/89/01/1053208901.db2.gz RYYIMEFVKFPVSO-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)F)C(C)C ZINC001313805902 1053239850 /nfs/dbraw/zinc/23/98/50/1053239850.db2.gz OPUKGSOMWAVHAB-UHFFFAOYSA-N 1 0 390.482 3.638 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC2(C)CC2)C[C@H]1C ZINC001313867091 1053261178 /nfs/dbraw/zinc/26/11/78/1053261178.db2.gz LDIFOFAHJCHBHO-MSOLQXFVSA-N 1 0 392.551 3.926 20 30 GHEDRO C=C(C)Cn1c(CC[C@H]2CCCO2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001342760541 1053341881 /nfs/dbraw/zinc/34/18/81/1053341881.db2.gz DFDCCRNVPCQZBK-HXUWFJFHSA-N 1 0 389.588 3.522 20 30 GHEDRO CC(C)Cn1c(-c2coc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342852652 1053389624 /nfs/dbraw/zinc/38/96/24/1053389624.db2.gz DVXCFUASVIHNSN-OXJNMPFZSA-N 1 0 394.523 3.519 20 30 GHEDRO CCOc1ccccc1[C@H]([NH3+])CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001342868751 1053398480 /nfs/dbraw/zinc/39/84/80/1053398480.db2.gz JOPSROZGOMBDQC-OAQYLSRUSA-N 1 0 377.488 3.753 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001342887800 1053411074 /nfs/dbraw/zinc/41/10/74/1053411074.db2.gz VASRQOCADOPPPG-NSHGMRRFSA-N 1 0 382.556 3.568 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(N2CC[C@@](F)(C#N)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314652054 1053551198 /nfs/dbraw/zinc/55/11/98/1053551198.db2.gz CCZHXXIBDNXOAX-DYESRHJHSA-N 1 0 390.551 3.528 20 30 GHEDRO C=C(C)Cn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CC=C(C)CC1 ZINC001343534132 1053848908 /nfs/dbraw/zinc/84/89/08/1053848908.db2.gz GKILLYPNUATUEC-UHFFFAOYSA-N 1 0 398.555 3.680 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001343689722 1053973714 /nfs/dbraw/zinc/97/37/14/1053973714.db2.gz CSEOBZLXUWWMJO-AQNXPRMDSA-N 1 0 387.572 3.591 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1 ZINC001318120666 1054426706 /nfs/dbraw/zinc/42/67/06/1054426706.db2.gz ODABKZQVROCXQU-WEKPXBEKSA-N 1 0 379.504 3.962 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC001318419235 1054626824 /nfs/dbraw/zinc/62/68/24/1054626824.db2.gz WVMKGHIRBLYQBZ-UHFFFAOYSA-N 1 0 376.435 3.873 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1cccs1 ZINC001344771170 1054733031 /nfs/dbraw/zinc/73/30/31/1054733031.db2.gz HOKXGRAOXIXWPE-KRWDZBQOSA-N 1 0 398.580 3.860 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)CCC#N)n2Cc2cccs2)C[C@H]1C ZINC001344772455 1054734355 /nfs/dbraw/zinc/73/43/55/1054734355.db2.gz PTYPUGFHLNHONF-BBWFWOEESA-N 1 0 386.569 3.714 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC001318811697 1054888945 /nfs/dbraw/zinc/88/89/45/1054888945.db2.gz OLJIJORDAZMJSY-HNAYVOBHSA-N 1 0 384.505 3.855 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc([C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001345271132 1054968204 /nfs/dbraw/zinc/96/82/04/1054968204.db2.gz LLMBCPMXZCYRBL-JPYJTQIMSA-N 1 0 392.551 3.590 20 30 GHEDRO CN1CCN(c2ccc(/C=C3/COc4c(F)ccc(F)c4C3=O)cc2F)CC1 ZINC001320024326 1055604089 /nfs/dbraw/zinc/60/40/89/1055604089.db2.gz DWBMYKXUZCFYBB-UVTDQMKNSA-N 1 0 388.389 3.514 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001320319584 1055752004 /nfs/dbraw/zinc/75/20/04/1055752004.db2.gz HQRRHTOAQKQSMH-CNNODRBYSA-N 1 0 385.552 3.651 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NS(=O)(=O)c3ccc(CC#N)cc3)c2)CC1 ZINC001320507337 1055848686 /nfs/dbraw/zinc/84/86/86/1055848686.db2.gz QTWNPYCTQJBGGX-UHFFFAOYSA-N 1 0 397.544 3.828 20 30 GHEDRO CCCc1c(NC(=O)NC[C@@H]2CCC[N@H+](CC)C2)cnn1-c1cccc(C#N)c1 ZINC001320895447 1056003820 /nfs/dbraw/zinc/00/38/20/1056003820.db2.gz QBBAMKROWTZCBA-SFHVURJKSA-N 1 0 394.523 3.550 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300581733 1056538304 /nfs/dbraw/zinc/53/83/04/1056538304.db2.gz YDGHTDKDGLVMDE-HXUWFJFHSA-N 1 0 381.568 3.519 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001300581664 1056538828 /nfs/dbraw/zinc/53/88/28/1056538828.db2.gz WMOBFDANPOTDQD-HXUWFJFHSA-N 1 0 381.568 3.521 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001323567179 1056986819 /nfs/dbraw/zinc/98/68/19/1056986819.db2.gz NHAJHWXYHSJQBY-DYESRHJHSA-N 1 0 378.476 3.621 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c(OC)c1 ZINC001354984298 1057004895 /nfs/dbraw/zinc/00/48/95/1057004895.db2.gz NNUOHQAPLKEELW-FQEVSTJZSA-N 1 0 392.499 3.814 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324115462 1057073397 /nfs/dbraw/zinc/07/33/97/1057073397.db2.gz NLMDHFFCUQODNM-GQDBAEDSSA-N 1 0 397.563 3.853 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H](CC)C1 ZINC001355864468 1057298156 /nfs/dbraw/zinc/29/81/56/1057298156.db2.gz WRSNYGWDVKTCTK-ICSRJNTNSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CCC(C#N)CC1 ZINC001356028643 1057361604 /nfs/dbraw/zinc/36/16/04/1057361604.db2.gz DMMDACUUUJJJJA-UHFFFAOYSA-N 1 0 390.535 3.584 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001356052876 1057370423 /nfs/dbraw/zinc/37/04/23/1057370423.db2.gz CLLBXDFMGAUDNI-AYWYSENESA-N 1 0 390.535 3.580 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001325888162 1057380692 /nfs/dbraw/zinc/38/06/92/1057380692.db2.gz BVZQFZVNQCXNQM-UXHICEINSA-N 1 0 379.464 3.740 20 30 GHEDRO Cc1ccc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c(OC[C@H]2CCCO2)c1 ZINC001326155639 1057424364 /nfs/dbraw/zinc/42/43/64/1057424364.db2.gz GEECDUANPJPEJL-OAQYLSRUSA-N 1 0 393.487 3.543 20 30 GHEDRO O=C1C[C@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)CN1Cc1ccccc1 ZINC000849001857 1057506999 /nfs/dbraw/zinc/50/69/99/1057506999.db2.gz KLYPBUKRZGKGNE-OAQYLSRUSA-N 1 0 390.531 3.989 20 30 GHEDRO CC(C)([C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001356545155 1057545109 /nfs/dbraw/zinc/54/51/09/1057545109.db2.gz OLGQVGDDOAKMGC-APWZRJJASA-N 1 0 377.479 3.525 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H](O)c1cc(OC)ccc1OC ZINC000849061651 1057572474 /nfs/dbraw/zinc/57/24/74/1057572474.db2.gz VTYNSBQQMCBEQU-OAQYLSRUSA-N 1 0 399.535 3.581 20 30 GHEDRO CC(C)c1ccc([C@@H](C[NH+]=C(N(C)C)N(C)C)NC(=O)OC(C)(C)C)cc1 ZINC000849068823 1057578912 /nfs/dbraw/zinc/57/89/12/1057578912.db2.gz QLGXULRSITXXSE-GOSISDBHSA-N 1 0 376.545 3.855 20 30 GHEDRO COc1ccc(CNC(=[NH+]Cc2ccccc2)N(C)C)cc1Br ZINC000849072332 1057581506 /nfs/dbraw/zinc/58/15/06/1057581506.db2.gz FJTNDBQLOREREB-UHFFFAOYSA-N 1 0 376.298 3.665 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000849081545 1057584923 /nfs/dbraw/zinc/58/49/23/1057584923.db2.gz DBJQIGSMYVYCNX-QILLFSRXSA-N 1 0 385.512 3.895 20 30 GHEDRO C#CCN(C(=O)CCCOc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC001439605366 1058226217 /nfs/dbraw/zinc/22/62/17/1058226217.db2.gz XARMQVOXZYXURD-UHFFFAOYSA-N 1 0 383.319 3.708 20 30 GHEDRO COc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2c1 ZINC001337757753 1058250781 /nfs/dbraw/zinc/25/07/81/1058250781.db2.gz PVGJUYIVYLCQGX-UHFFFAOYSA-N 1 0 387.483 3.924 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2nc(Br)ccc2C#N)CC1 ZINC001337901286 1058319573 /nfs/dbraw/zinc/31/95/73/1058319573.db2.gz JKLJTGJVJWILMU-ZDUSSCGKSA-N 1 0 386.297 3.748 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@H]2C1 ZINC001440196919 1058460764 /nfs/dbraw/zinc/46/07/64/1058460764.db2.gz IPARXOZYLQUFSW-YUXAGFNASA-N 1 0 375.472 3.615 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)c2cc(C)c(C#N)c(C)c2)[NH+]2CCCC2)c1 ZINC001440386575 1058509745 /nfs/dbraw/zinc/50/97/45/1058509745.db2.gz ZSMOAPIHRPBXJA-JOCHJYFZSA-N 1 0 377.488 3.751 20 30 GHEDRO COc1cccc([C@H](CNC(=O)c2cc(C)c(C#N)c(C)c2)[NH+]2CCCC2)c1 ZINC001440386577 1058511462 /nfs/dbraw/zinc/51/14/62/1058511462.db2.gz ZSMOAPIHRPBXJA-QFIPXVFZSA-N 1 0 377.488 3.751 20 30 GHEDRO Cn1c([C@H]2CCCCN2Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001338394277 1058545902 /nfs/dbraw/zinc/54/59/02/1058545902.db2.gz ISXKEITYGXXUEC-HXUWFJFHSA-N 1 0 378.524 3.672 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC001441364337 1058768076 /nfs/dbraw/zinc/76/80/76/1058768076.db2.gz WGDBWOSQLFWXEN-NPPFBWRTSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001338782397 1058782883 /nfs/dbraw/zinc/78/28/83/1058782883.db2.gz ZGRJGGXJHIAVMU-NZQKXSOJSA-N 1 0 377.488 3.640 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001338954272 1058902817 /nfs/dbraw/zinc/90/28/17/1058902817.db2.gz LLCZEHBKWURXQS-LJQANCHMSA-N 1 0 394.567 3.663 20 30 GHEDRO C=CCn1c(CCn2ccnc2C)nnc1N1CCC[C@@](F)(c2ccccc2)C1 ZINC001339206880 1059011758 /nfs/dbraw/zinc/01/17/58/1059011758.db2.gz ZFECCIZNNUSKOM-QFIPXVFZSA-N 1 0 394.498 3.677 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001339249940 1059040875 /nfs/dbraw/zinc/04/08/75/1059040875.db2.gz KWUMYZFAFNJLPL-WJMWBRGCSA-N 1 0 399.583 3.795 20 30 GHEDRO C=CCn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001339775815 1059460666 /nfs/dbraw/zinc/46/06/66/1059460666.db2.gz ZVMLOKMDEFRVGL-OXQOHEQNSA-N 1 0 387.478 3.893 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC001445522062 1059550918 /nfs/dbraw/zinc/55/09/18/1059550918.db2.gz DDPARTRCKYVUJQ-UGKGYDQZSA-N 1 0 377.463 3.824 20 30 GHEDRO CCc1ccc(C#CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc1 ZINC001446353412 1059763960 /nfs/dbraw/zinc/76/39/60/1059763960.db2.gz NUGZULZIGBTTIX-QHCPKHFHSA-N 1 0 376.500 3.562 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340390945 1059907477 /nfs/dbraw/zinc/90/74/77/1059907477.db2.gz VIWJVWKSBZQAPO-FPOVZHCZSA-N 1 0 377.536 3.893 20 30 GHEDRO C=CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CC[C@H](CF)C1 ZINC001340547872 1059971439 /nfs/dbraw/zinc/97/14/39/1059971439.db2.gz RAPAYZBCEQCKHX-LJQANCHMSA-N 1 0 383.515 3.640 20 30 GHEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001340675407 1060039955 /nfs/dbraw/zinc/03/99/55/1060039955.db2.gz BZHMYCBZGPGEDU-IBGZPJMESA-N 1 0 382.483 3.672 20 30 GHEDRO CCn1c(C2CCN(CCC#N)CC2)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001341034877 1060345729 /nfs/dbraw/zinc/34/57/29/1060345729.db2.gz FJLMSHPYLBTZMY-UHFFFAOYSA-N 1 0 396.539 3.946 20 30 GHEDRO CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001341334191 1060589046 /nfs/dbraw/zinc/58/90/46/1060589046.db2.gz SIQBIAWASYSREK-VGSWGCGISA-N 1 0 396.514 3.670 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccccc1 ZINC001341880668 1060933918 /nfs/dbraw/zinc/93/39/18/1060933918.db2.gz UOYUPENYTYCIHN-IBGZPJMESA-N 1 0 392.551 3.798 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001342035005 1061011474 /nfs/dbraw/zinc/01/14/74/1061011474.db2.gz DXDWKIWYWPBBCK-IBGZPJMESA-N 1 0 384.572 3.964 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001346145037 1061401234 /nfs/dbraw/zinc/40/12/34/1061401234.db2.gz XYLQDUKIKZPFMI-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO Cc1nc(SCC(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(C#N)c(C)c1C ZINC001454121636 1061612588 /nfs/dbraw/zinc/61/25/88/1061612588.db2.gz IMJXLQAUJXPPTK-IFXJQAMLSA-N 1 0 388.581 3.549 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361169566 1061681249 /nfs/dbraw/zinc/68/12/49/1061681249.db2.gz HFZMWFIBUNJCBD-IEBWSBKVSA-N 1 0 398.555 3.953 20 30 GHEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC#N)[NH+](C)C ZINC001545812367 1062016112 /nfs/dbraw/zinc/01/61/12/1062016112.db2.gz NDVXXQWBNXKPAG-XLIONFOSSA-N 1 0 397.571 3.753 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001456062488 1062460577 /nfs/dbraw/zinc/46/05/77/1062460577.db2.gz BFICPQFDUFLZHM-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2CC(C)C)CC1 ZINC001347571065 1062501097 /nfs/dbraw/zinc/50/10/97/1062501097.db2.gz GAGKYCPPZUZHCD-QHCPKHFHSA-N 1 0 398.599 3.970 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001435567192 1062741701 /nfs/dbraw/zinc/74/17/01/1062741701.db2.gz SUHQXOBMDRCWEE-WOJBJXKFSA-N 1 0 375.516 3.839 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457743787 1063340557 /nfs/dbraw/zinc/34/05/57/1063340557.db2.gz KOHWIQSNGYLQDT-UHFFFAOYSA-N 1 0 394.519 3.738 20 30 GHEDRO N#Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)ncc1Br ZINC001458098575 1063563224 /nfs/dbraw/zinc/56/32/24/1063563224.db2.gz ZQFDGIFITMOSKR-UHFFFAOYSA-N 1 0 385.309 3.835 20 30 GHEDRO CCc1nnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C#N)c1CC ZINC001458173151 1063628600 /nfs/dbraw/zinc/62/86/00/1063628600.db2.gz ZYSVDPCRBCBTLI-INIZCTEOSA-N 1 0 399.926 3.909 20 30 GHEDRO N#CC1(CC[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001459466603 1064105447 /nfs/dbraw/zinc/10/54/47/1064105447.db2.gz LDKGMGCMORTEFB-FQEVSTJZSA-N 1 0 375.944 3.855 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001350522485 1064113687 /nfs/dbraw/zinc/11/36/87/1064113687.db2.gz MUTCDAMARHPTLY-QFIPXVFZSA-N 1 0 375.516 3.959 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001459635194 1064151868 /nfs/dbraw/zinc/15/18/68/1064151868.db2.gz TXTGPEPYGCUXIJ-ODAXIHTASA-N 1 0 384.564 3.878 20 30 GHEDRO N#Cc1cccc(OCCN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459653250 1064155860 /nfs/dbraw/zinc/15/58/60/1064155860.db2.gz HKSVTBANHXEBLI-VWNXMTODSA-N 1 0 375.516 3.924 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC001459750209 1064200032 /nfs/dbraw/zinc/20/00/32/1064200032.db2.gz OCTNKGJCKGXYIK-QHCPKHFHSA-N 1 0 397.478 3.890 20 30 GHEDRO Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1C#N ZINC001459798734 1064222259 /nfs/dbraw/zinc/22/22/59/1064222259.db2.gz UIMWZWVTHMXGPO-UHFFFAOYSA-N 1 0 384.321 3.947 20 30 GHEDRO CCC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459817560 1064230489 /nfs/dbraw/zinc/23/04/89/1064230489.db2.gz HBCILEOGGCGILE-QHCPKHFHSA-N 1 0 390.531 3.873 20 30 GHEDRO CC(C)[C@H](C#N)N1CC[NH+](CCCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001459882854 1064255854 /nfs/dbraw/zinc/25/58/54/1064255854.db2.gz OQNDBRIXZXGOIF-IBGZPJMESA-N 1 0 380.577 3.627 20 30 GHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCOc1ccccc1C#N ZINC001459927951 1064280500 /nfs/dbraw/zinc/28/05/00/1064280500.db2.gz DYYVBKCDONPOBF-UHFFFAOYSA-N 1 0 379.382 3.798 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC001459979794 1064315699 /nfs/dbraw/zinc/31/56/99/1064315699.db2.gz KSQYICLTJKRMJZ-GHTZIAJQSA-N 1 0 396.478 3.934 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC001460022062 1064351505 /nfs/dbraw/zinc/35/15/05/1064351505.db2.gz ZJHLTHGGZJCJQT-LAUBAEHRSA-N 1 0 392.565 3.562 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001351452682 1064454033 /nfs/dbraw/zinc/45/40/33/1064454033.db2.gz KTVVFCCAVAYTRJ-SFHVURJKSA-N 1 0 384.528 3.520 20 30 GHEDRO N#C[C@]1(F)CCN(c2nnc([C@H]3CCCC[N@@H+]3C3CCCC3)n2CC2CC2)C1 ZINC001351465062 1064461961 /nfs/dbraw/zinc/46/19/61/1064461961.db2.gz AJCRLUGYPFZZJW-WIYYLYMNSA-N 1 0 386.519 3.600 20 30 GHEDRO N#CC1(CC[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCCCC1 ZINC001351497223 1064481426 /nfs/dbraw/zinc/48/14/26/1064481426.db2.gz YDSOJYPGPKFYGD-NXOAAHMSSA-N 1 0 383.458 3.582 20 30 GHEDRO C=CCn1c(-c2ccc3cc[nH]c3c2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001352031447 1064778855 /nfs/dbraw/zinc/77/88/55/1064778855.db2.gz MNOSHJFBPIGMBL-XUVXKRRUSA-N 1 0 390.535 3.779 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC2(C1)CCCCC2 ZINC001352151768 1064886279 /nfs/dbraw/zinc/88/62/79/1064886279.db2.gz QEFZDIMBBSNYSN-HXUWFJFHSA-N 1 0 399.583 3.941 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001352151839 1064886870 /nfs/dbraw/zinc/88/68/70/1064886870.db2.gz QRMHNLDLOJNHES-SXLOBPIMSA-N 1 0 385.556 3.549 20 30 GHEDRO CC(C)(CC#N)CS(=O)(=O)N1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C ZINC001464175569 1064887224 /nfs/dbraw/zinc/88/72/24/1064887224.db2.gz YNWNCMVQDMONNI-UHFFFAOYSA-N 1 0 391.581 3.631 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CC[C@@H](CC)C2)C(C)C ZINC001464868077 1065252495 /nfs/dbraw/zinc/25/24/95/1065252495.db2.gz DDFAZNPOXSTKFZ-UTKZUKDTSA-N 1 0 385.552 3.731 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001465484967 1065656000 /nfs/dbraw/zinc/65/60/00/1065656000.db2.gz SQIPADVDINDDGZ-HXUWFJFHSA-N 1 0 378.516 3.917 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(OC)c(OCC[NH+](CC)CC)c2)CC1 ZINC001465509225 1065677398 /nfs/dbraw/zinc/67/73/98/1065677398.db2.gz JCFYQSPKPZPONB-IYARVYRRSA-N 1 0 387.524 3.729 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001465768973 1065841324 /nfs/dbraw/zinc/84/13/24/1065841324.db2.gz FIKUBYZNHAJZDO-UNMCSNQZSA-N 1 0 389.499 3.694 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001465779624 1065849465 /nfs/dbraw/zinc/84/94/65/1065849465.db2.gz NUUBECKQTJMTCX-NQIIRXRSSA-N 1 0 393.462 3.576 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)C)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001300273892 1065903574 /nfs/dbraw/zinc/90/35/74/1065903574.db2.gz SDYLEKLPPVNLPP-NQIIRXRSSA-N 1 0 395.551 3.705 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001300276146 1065907018 /nfs/dbraw/zinc/90/70/18/1065907018.db2.gz HSSVMFWCONUNHO-HOTGVXAUSA-N 1 0 383.927 3.541 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300302487 1065956215 /nfs/dbraw/zinc/95/62/15/1065956215.db2.gz BKSPOOSZNKMAAP-KRWDZBQOSA-N 1 0 397.592 3.977 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001300303723 1065958576 /nfs/dbraw/zinc/95/85/76/1065958576.db2.gz MQQWPHADWHOTHF-GOSISDBHSA-N 1 0 392.551 3.705 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300308391 1065964987 /nfs/dbraw/zinc/96/49/87/1065964987.db2.gz BXYGAQCGLFWAKC-PZJWPPBQSA-N 1 0 379.552 3.599 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300313219 1065972189 /nfs/dbraw/zinc/97/21/89/1065972189.db2.gz DINVDTIRHOBEIA-MOPGFXCFSA-N 1 0 397.542 3.588 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001300313758 1065973695 /nfs/dbraw/zinc/97/36/95/1065973695.db2.gz ONLQGTNFEJNRSK-QGZVFWFLSA-N 1 0 399.970 3.855 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)c2cc(F)c(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001466126394 1065991152 /nfs/dbraw/zinc/99/11/52/1065991152.db2.gz QEHUETPLLKQYLA-WBVHZDCISA-N 1 0 383.442 3.867 20 30 GHEDRO C[C@H](Oc1cccc(F)c1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745915 1066018595 /nfs/dbraw/zinc/01/85/95/1066018595.db2.gz QYXPJQDQQWMYPX-SFHVURJKSA-N 1 0 396.462 3.942 20 30 GHEDRO COc1ccc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000847745923 1066019006 /nfs/dbraw/zinc/01/90/06/1066019006.db2.gz RLEYECIRKXXGBR-UHFFFAOYSA-N 1 0 396.462 3.726 20 30 GHEDRO CCCc1nc(C)c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000847747170 1066024846 /nfs/dbraw/zinc/02/48/46/1066024846.db2.gz YANFWMIKMTUQJW-UHFFFAOYSA-N 1 0 381.476 3.898 20 30 GHEDRO C#CCCCCn1c(Cc2ccsc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300371382 1066126039 /nfs/dbraw/zinc/12/60/39/1066126039.db2.gz RKGIUIJRWKJSOH-UHFFFAOYSA-N 1 0 385.581 3.654 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2cccc(C#N)n2)C1 ZINC001466941002 1066404086 /nfs/dbraw/zinc/40/40/86/1066404086.db2.gz KLQFJIXHECLCGX-IAGOWNOFSA-N 1 0 377.492 3.753 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C(F)(F)F)c1 ZINC001467193697 1067140286 /nfs/dbraw/zinc/14/02/86/1067140286.db2.gz NJKCFDSNCDYXTN-SFHVURJKSA-N 1 0 394.441 3.822 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)c(F)cc1C ZINC001467241066 1067172464 /nfs/dbraw/zinc/17/24/64/1067172464.db2.gz UWLWYGNVEXASJL-IBGZPJMESA-N 1 0 395.482 3.919 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2C#N)C1 ZINC001357629921 1067205036 /nfs/dbraw/zinc/20/50/36/1067205036.db2.gz GSMJRAMVTIJOSA-KBXCAEBGSA-N 1 0 398.304 3.886 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)cc2n1 ZINC001467351648 1067244142 /nfs/dbraw/zinc/24/41/42/1067244142.db2.gz BEUYPZMDJOMQKY-VGSWGCGISA-N 1 0 389.503 3.864 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c(F)c1 ZINC001357880201 1067316453 /nfs/dbraw/zinc/31/64/53/1067316453.db2.gz KIPWYLDMIUIOST-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001467728292 1067439820 /nfs/dbraw/zinc/43/98/20/1067439820.db2.gz DJDCLCHCVUQHTB-FQEVSTJZSA-N 1 0 398.469 3.621 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC001467727440 1067439953 /nfs/dbraw/zinc/43/99/53/1067439953.db2.gz GMVWZIWDELAIRB-UHFFFAOYSA-N 1 0 375.900 3.894 20 30 GHEDRO C#Cc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC001467858160 1067501118 /nfs/dbraw/zinc/50/11/18/1067501118.db2.gz AQJVIPMRFFGPTO-UHFFFAOYSA-N 1 0 375.516 3.899 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001358891909 1067599153 /nfs/dbraw/zinc/59/91/53/1067599153.db2.gz OTUULJGDBCIOGI-WOJBJXKFSA-N 1 0 381.568 3.845 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001358894274 1067600945 /nfs/dbraw/zinc/60/09/45/1067600945.db2.gz LSDVBFLUEHOZJF-UTKZUKDTSA-N 1 0 379.552 3.554 20 30 GHEDRO C#CCN(C)c1nnc(C(C)(C)C)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001358937960 1067620465 /nfs/dbraw/zinc/62/04/65/1067620465.db2.gz MGROACNKHREARR-FPOVZHCZSA-N 1 0 393.579 3.946 20 30 GHEDRO C#CCN(C)c1nnc(C(C)(C)C)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001358937961 1067620731 /nfs/dbraw/zinc/62/07/31/1067620731.db2.gz MGROACNKHREARR-PZJWPPBQSA-N 1 0 393.579 3.946 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001358939425 1067621122 /nfs/dbraw/zinc/62/11/22/1067621122.db2.gz WQVOJMYRBIRROS-ICSRJNTNSA-N 1 0 395.551 3.589 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2C)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001358975004 1067632421 /nfs/dbraw/zinc/63/24/21/1067632421.db2.gz YXQHSJYEUSRTRD-JOCHJYFZSA-N 1 0 391.563 3.693 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001359005687 1067648050 /nfs/dbraw/zinc/64/80/50/1067648050.db2.gz RUMKUHRCXKORLW-FQEVSTJZSA-N 1 0 377.536 3.730 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC[N@@H+](CC)C(C)C ZINC001359072925 1067673414 /nfs/dbraw/zinc/67/34/14/1067673414.db2.gz VYIVYLLGVUGNGV-XMMPIXPASA-N 1 0 393.579 3.786 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359145547 1067708303 /nfs/dbraw/zinc/70/83/03/1067708303.db2.gz TVKSJFWGSVCSKG-LPHOPBHVSA-N 1 0 385.943 3.933 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCCC2)CC1 ZINC001359162775 1067718234 /nfs/dbraw/zinc/71/82/34/1067718234.db2.gz DEINRDRTVRVYEP-UHFFFAOYSA-N 1 0 395.551 3.986 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359176968 1067736302 /nfs/dbraw/zinc/73/63/02/1067736302.db2.gz VPFAINMAUSOICK-MOPGFXCFSA-N 1 0 396.583 3.806 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359177123 1067736822 /nfs/dbraw/zinc/73/68/22/1067736822.db2.gz AYOIYMLVHDTHCQ-LJQANCHMSA-N 1 0 382.556 3.796 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001359186395 1067750817 /nfs/dbraw/zinc/75/08/17/1067750817.db2.gz FBEBOFGYZZZQQW-SFHVURJKSA-N 1 0 397.571 3.506 20 30 GHEDRO Cc1cc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc(C)c1C#N ZINC001468581103 1067779262 /nfs/dbraw/zinc/77/92/62/1067779262.db2.gz XRIPQQXNJNPJKI-JOCHJYFZSA-N 1 0 379.504 3.995 20 30 GHEDRO C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359244276 1067857275 /nfs/dbraw/zinc/85/72/75/1067857275.db2.gz XGGCWCGZHVWTBI-SFHVURJKSA-N 1 0 383.540 3.579 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC001359248523 1067888749 /nfs/dbraw/zinc/88/87/49/1067888749.db2.gz RMRAQIMDCBEUJO-SFHVURJKSA-N 1 0 395.551 3.840 20 30 GHEDRO C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC[NH+]1CCCC1 ZINC001359261348 1067924667 /nfs/dbraw/zinc/92/46/67/1067924667.db2.gz FTGHTZHORPLVEY-HXUWFJFHSA-N 1 0 399.514 3.557 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+](CC3CC3)CC2)cc1 ZINC001359307072 1068023602 /nfs/dbraw/zinc/02/36/02/1068023602.db2.gz ZSCPIODUAPOAGX-UHFFFAOYSA-N 1 0 395.551 3.547 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+](C)C(C)C)C1 ZINC001359317672 1068029366 /nfs/dbraw/zinc/02/93/66/1068029366.db2.gz NWJJWEOSZDGQEN-FQEVSTJZSA-N 1 0 397.567 3.765 20 30 GHEDRO C=CCSCCn1c(C2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001359342460 1068038688 /nfs/dbraw/zinc/03/86/88/1068038688.db2.gz YLQFDBGOOFXJDD-GOSISDBHSA-N 1 0 397.592 3.785 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001359472891 1068068570 /nfs/dbraw/zinc/06/85/70/1068068570.db2.gz SKOMEYGIGNVSGS-UZLBHIALSA-N 1 0 398.530 3.974 20 30 GHEDRO C=C(C)CN(CC)C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC001469600350 1068249078 /nfs/dbraw/zinc/24/90/78/1068249078.db2.gz HBCVFNDQIWUQCW-BGYRXZFFSA-N 1 0 387.568 3.803 20 30 GHEDRO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001360537236 1068549251 /nfs/dbraw/zinc/54/92/51/1068549251.db2.gz ZNPFOWFDFKIJCL-INIZCTEOSA-N 1 0 392.507 3.771 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1)[NH+](C)C ZINC001360539947 1068549995 /nfs/dbraw/zinc/54/99/95/1068549995.db2.gz CHMOWRDFQWYNGK-KRWDZBQOSA-N 1 0 392.551 3.949 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CC1CC1)CC1CCC1)[NH+](C)C ZINC001360541337 1068550950 /nfs/dbraw/zinc/55/09/50/1068550950.db2.gz OWNOIILEWAMNDX-KRWDZBQOSA-N 1 0 392.551 3.783 20 30 GHEDRO C#CCN(C(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21)C1CC[NH+](C)CC1 ZINC001470076622 1068558484 /nfs/dbraw/zinc/55/84/84/1068558484.db2.gz GXBFITLEKLZSPH-INIZCTEOSA-N 1 0 396.318 3.556 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)C[NH+]1CCCCC1 ZINC001360598338 1068577238 /nfs/dbraw/zinc/57/72/38/1068577238.db2.gz XJRMPIFEQOQEEB-PGRDOPGGSA-N 1 0 396.514 3.509 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)C[NH+]1CCCCC1 ZINC001360598339 1068577613 /nfs/dbraw/zinc/57/76/13/1068577613.db2.gz XJRMPIFEQOQEEB-XMSQKQJNSA-N 1 0 396.514 3.509 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001460258456 1068889853 /nfs/dbraw/zinc/88/98/53/1068889853.db2.gz MOPGOSAJULARFW-DLBZAZTESA-N 1 0 385.508 3.719 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001460258477 1068889987 /nfs/dbraw/zinc/88/99/87/1068889987.db2.gz MOPGOSAJULARFW-IAGOWNOFSA-N 1 0 385.508 3.719 20 30 GHEDRO COc1cc(C#N)ccc1OCCN(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC001460359226 1068940774 /nfs/dbraw/zinc/94/07/74/1068940774.db2.gz FVQGNYKPXVMYCQ-MRXNPFEDSA-N 1 0 395.286 3.918 20 30 GHEDRO C=CCN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H](C)COC ZINC001460411083 1068956441 /nfs/dbraw/zinc/95/64/41/1068956441.db2.gz YJUIBZWCARAFOC-OAHLLOKOSA-N 1 0 376.884 3.739 20 30 GHEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)C1 ZINC001460521997 1068986646 /nfs/dbraw/zinc/98/66/46/1068986646.db2.gz LFESBLSCNKNHJR-QGZVFWFLSA-N 1 0 393.487 3.784 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC001460528371 1068988839 /nfs/dbraw/zinc/98/88/39/1068988839.db2.gz YOKFVTRAQNWJRR-DNVCBOLYSA-N 1 0 382.895 3.749 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC001460613864 1069031491 /nfs/dbraw/zinc/03/14/91/1069031491.db2.gz FHFBVHVMVRPXLR-GCJKJVERSA-N 1 0 379.504 3.598 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(NC(=O)OCc3ccccc3)CC2)c1 ZINC001460658398 1069063952 /nfs/dbraw/zinc/06/39/52/1069063952.db2.gz QSTBKLWMFBAMRO-UHFFFAOYSA-N 1 0 393.487 3.718 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001460658955 1069065205 /nfs/dbraw/zinc/06/52/05/1069065205.db2.gz RKDVIHGIAPFXET-NSISKUIASA-N 1 0 394.519 3.800 20 30 GHEDRO CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001460812569 1069196800 /nfs/dbraw/zinc/19/68/00/1069196800.db2.gz DCFZODYHZNEVNI-QGZVFWFLSA-N 1 0 381.867 3.728 20 30 GHEDRO C[C@](O)(C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)C(F)(F)C(F)(F)F ZINC001460845303 1069214420 /nfs/dbraw/zinc/21/44/20/1069214420.db2.gz AUGQYVMPJKRKOH-NSHDSACASA-N 1 0 395.294 3.557 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@]34CCOC4)sc2C1 ZINC001460960704 1069298837 /nfs/dbraw/zinc/29/88/37/1069298837.db2.gz SLBTVLVYXKJZKK-QVKFZJNVSA-N 1 0 387.549 3.718 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001478492884 1078890836 /nfs/dbraw/zinc/89/08/36/1078890836.db2.gz IMEOFDVYRFHJIB-QHCPKHFHSA-N 1 0 393.506 3.881 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001478495344 1078893307 /nfs/dbraw/zinc/89/33/07/1078893307.db2.gz VERRLHZZDLUMJB-HSZRJFAPSA-N 1 0 390.531 3.653 20 30 GHEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001470465049 1072570479 /nfs/dbraw/zinc/57/04/79/1072570479.db2.gz DCFZCLZDMDSLAX-FCHUYYIVSA-N 1 0 390.531 3.894 20 30 GHEDRO CC(C)c1oc([C@H]2CCCN2C(=O)NCC#CC[NH+](C)C)nc1-c1ccccc1 ZINC001471628680 1073162800 /nfs/dbraw/zinc/16/28/00/1073162800.db2.gz BELNBQXKNRPECC-LJQANCHMSA-N 1 0 394.519 3.877 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2OCC)CC1 ZINC001471938839 1073271679 /nfs/dbraw/zinc/27/16/79/1073271679.db2.gz XNEMEGXOZQUJTF-UHFFFAOYSA-N 1 0 378.472 3.705 20 30 GHEDRO Cc1ccc(CNC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC001479055621 1079085453 /nfs/dbraw/zinc/08/54/53/1079085453.db2.gz AEEUZQKUNOXDNT-UHFFFAOYSA-N 1 0 390.531 3.968 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3cc(C#N)ccc3[N+](=O)[O-])CC2)c1 ZINC001472654805 1073598519 /nfs/dbraw/zinc/59/85/19/1073598519.db2.gz MJZRNWMCSWWYCI-UHFFFAOYSA-N 1 0 393.491 3.789 20 30 GHEDRO Cc1ccc([C@H](CNc2cc(C#N)c(Br)cn2)[NH+]2CCCC2)o1 ZINC001472680666 1073615038 /nfs/dbraw/zinc/61/50/38/1073615038.db2.gz DBZXHCDYQGMLFE-HNNXBMFYSA-N 1 0 375.270 3.866 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2c(C#N)cnc3c(OC)cc(OC)cc32)CC1 ZINC001472880213 1073709341 /nfs/dbraw/zinc/70/93/41/1073709341.db2.gz XAGLECYVBLEFSO-UHFFFAOYSA-N 1 0 380.492 3.578 20 30 GHEDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC1CCC1 ZINC001473420142 1073956858 /nfs/dbraw/zinc/95/68/58/1073956858.db2.gz FHTGQGIYNHOVLU-GJZGRUSLSA-N 1 0 389.565 3.556 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCSC[C@@H](C)C3)sc2C1 ZINC001473446817 1073966390 /nfs/dbraw/zinc/96/63/90/1073966390.db2.gz UOCGTVYDFNEHHU-KBPBESRZSA-N 1 0 377.579 3.758 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1OC ZINC001473449083 1073968169 /nfs/dbraw/zinc/96/81/69/1073968169.db2.gz WJEMDDKOJGYDJD-SJORKVTESA-N 1 0 375.538 3.620 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001473462568 1073977344 /nfs/dbraw/zinc/97/73/44/1073977344.db2.gz HGXJNZOQDFPXOY-MRXNPFEDSA-N 1 0 388.581 3.633 20 30 GHEDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001473529089 1074003981 /nfs/dbraw/zinc/00/39/81/1074003981.db2.gz QGNRZHGPIWYPDM-FQEVSTJZSA-N 1 0 391.899 3.594 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C ZINC001473685332 1074085903 /nfs/dbraw/zinc/08/59/03/1074085903.db2.gz SXNSXIUUOPXNPS-MRXNPFEDSA-N 1 0 392.459 3.748 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+]C(C)(C)c2ccc3ccccc3c2)c1 ZINC001473688057 1074087449 /nfs/dbraw/zinc/08/74/49/1074087449.db2.gz PHJQABAOROKDDU-UHFFFAOYSA-N 1 0 385.467 3.994 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1C ZINC001473781231 1074138965 /nfs/dbraw/zinc/13/89/65/1074138965.db2.gz SZISSQYPVOOCDB-ROUUACIJSA-N 1 0 395.503 3.998 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]CC2(C3(O)CCC3)CCC2)ccc1Cl ZINC001473786656 1074142211 /nfs/dbraw/zinc/14/22/11/1074142211.db2.gz GQEPPOAQVTYLLS-UHFFFAOYSA-N 1 0 389.927 3.570 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cc1Cl ZINC001473809588 1074154580 /nfs/dbraw/zinc/15/45/80/1074154580.db2.gz QRCMMOLORZKUQV-AWEZNQCLSA-N 1 0 388.924 3.951 20 30 GHEDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(C#N)c1F ZINC001473840449 1074168641 /nfs/dbraw/zinc/16/86/41/1074168641.db2.gz XZQXPQCELMAZSY-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001473851646 1074175062 /nfs/dbraw/zinc/17/50/62/1074175062.db2.gz GPQVARCABAOXPV-IEBWSBKVSA-N 1 0 394.556 3.853 20 30 GHEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC001473861858 1074179145 /nfs/dbraw/zinc/17/91/45/1074179145.db2.gz OPTYHJAYKYDJRS-GOSISDBHSA-N 1 0 398.551 3.644 20 30 GHEDRO COc1ccc(C[N@H+](CCCO)Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC001473867196 1074181568 /nfs/dbraw/zinc/18/15/68/1074181568.db2.gz UDKRYABNYNCBCZ-UHFFFAOYSA-N 1 0 378.394 3.970 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001474002805 1074232587 /nfs/dbraw/zinc/23/25/87/1074232587.db2.gz IUERPLILPVKPQH-HXUWFJFHSA-N 1 0 394.519 3.980 20 30 GHEDRO C[NH+](C)Cc1ccc(CNCc2ccc(C#N)c(Cl)c2)c2c1OC(F)(F)O2 ZINC001474125809 1074269878 /nfs/dbraw/zinc/26/98/78/1074269878.db2.gz YAASFPFVYQYHKJ-UHFFFAOYSA-N 1 0 393.821 3.885 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(F)c1I)C2 ZINC001474244104 1074307748 /nfs/dbraw/zinc/30/77/48/1074307748.db2.gz DNIVBBWKWLDDNT-HNNXBMFYSA-N 1 0 392.215 3.559 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)cc1C#N ZINC001474247415 1074309386 /nfs/dbraw/zinc/30/93/86/1074309386.db2.gz CAOWVRDTPVYJIY-UHFFFAOYSA-N 1 0 381.476 3.881 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCNc2ccc(C(F)(F)F)cn2)cc1 ZINC001474303620 1074331811 /nfs/dbraw/zinc/33/18/11/1074331811.db2.gz IQDWVQJKNWYWCI-UHFFFAOYSA-N 1 0 377.414 3.652 20 30 GHEDRO C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001493410910 1079267083 /nfs/dbraw/zinc/26/70/83/1079267083.db2.gz PEIKFQREEQCQHE-QZTJIDSGSA-N 1 0 392.551 3.926 20 30 GHEDRO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001474727665 1074536167 /nfs/dbraw/zinc/53/61/67/1074536167.db2.gz JKGXQENEJLZOMC-QGZVFWFLSA-N 1 0 378.472 3.878 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC001474960957 1074654660 /nfs/dbraw/zinc/65/46/60/1074654660.db2.gz IHUDDOBEMFBSDV-KRWDZBQOSA-N 1 0 391.581 3.667 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1C ZINC001475325183 1074834299 /nfs/dbraw/zinc/83/42/99/1074834299.db2.gz SRPUUNAIYXKOLR-IEBWSBKVSA-N 1 0 398.617 3.574 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1)C(C)C ZINC001476037632 1075072698 /nfs/dbraw/zinc/07/26/98/1075072698.db2.gz QFTMPTGUVJHKIB-GOSISDBHSA-N 1 0 376.932 3.651 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001476082802 1075081304 /nfs/dbraw/zinc/08/13/04/1075081304.db2.gz LSMSVCDIZAFAJL-UHFFFAOYSA-N 1 0 394.475 3.917 20 30 GHEDRO C[NH2+]C1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCC1 ZINC001476094955 1075083643 /nfs/dbraw/zinc/08/36/43/1075083643.db2.gz IDBJMROXAVXZJY-UHFFFAOYSA-N 1 0 382.439 3.540 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001495335999 1079401615 /nfs/dbraw/zinc/40/16/15/1079401615.db2.gz FALBRTPLEWJGPO-OXJNMPFZSA-N 1 0 398.530 3.974 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001496114581 1079456617 /nfs/dbraw/zinc/45/66/17/1079456617.db2.gz CTEBIDSAVJKKOV-AVRDEDQJSA-N 1 0 394.567 3.648 20 30 GHEDRO CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001500467070 1079604797 /nfs/dbraw/zinc/60/47/97/1079604797.db2.gz YBVLPUQEOIQCPW-HXUWFJFHSA-N 1 0 378.524 3.681 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)c2)s1 ZINC000822822968 606221785 /nfs/dbraw/zinc/22/17/85/606221785.db2.gz JPNOUZUDAAUMAD-UHFFFAOYSA-N 1 0 378.486 3.818 20 30 GHEDRO C=CC[N@@H+](Cc1cn(C)nc1-c1cccs1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915338 608581873 /nfs/dbraw/zinc/58/18/73/608581873.db2.gz VKGSLRSVGCDCCD-UHFFFAOYSA-N 1 0 391.504 3.517 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc(OC)c1OC ZINC000823937048 609340655 /nfs/dbraw/zinc/34/06/55/609340655.db2.gz GDXAEZVXKVQJDD-CYBMUJFWSA-N 1 0 397.454 3.602 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621701 719044562 /nfs/dbraw/zinc/04/45/62/719044562.db2.gz JOHSOZMGJZGMHQ-IEBWSBKVSA-N 1 0 388.849 3.735 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621276 719045167 /nfs/dbraw/zinc/04/51/67/719045167.db2.gz IEJCOFFXXKBHBX-VQIMIIECSA-N 1 0 388.849 3.735 20 30 GHEDRO Cc1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(C#C[Si](C)(C)C)c1 ZINC001164730215 720418397 /nfs/dbraw/zinc/41/83/97/720418397.db2.gz IPENFUPEDZHWAK-VXKWHMMOSA-N 1 0 390.607 3.867 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3C#N)C[C@@H]21 ZINC001165025459 721820092 /nfs/dbraw/zinc/82/00/92/721820092.db2.gz MURYFBXRGBJDIW-UIAACRFSSA-N 1 0 381.911 3.739 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)cc(C#N)n4)CC3)C2)cc1 ZINC001164939790 721925137 /nfs/dbraw/zinc/92/51/37/721925137.db2.gz NEGSWXTYDYJCAU-UHFFFAOYSA-N 1 0 396.922 3.787 20 30 GHEDRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000580738277 837391665 /nfs/dbraw/zinc/39/16/65/837391665.db2.gz FMRRXJMTTNGACA-DLBZAZTESA-N 1 0 399.922 3.926 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C#N)c(C#N)c2)C1 ZINC000580812086 837410448 /nfs/dbraw/zinc/41/04/48/837410448.db2.gz CTXFOFOOHOMZIG-UHFFFAOYSA-N 1 0 397.482 3.790 20 30 GHEDRO CC(C)[C@@H](CO)[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000173413501 837707131 /nfs/dbraw/zinc/70/71/31/837707131.db2.gz LRVLODCWKANPPZ-HXUWFJFHSA-N 1 0 397.544 3.760 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000579697292 834394409 /nfs/dbraw/zinc/39/44/09/834394409.db2.gz YDAJWAUQNCRNHA-WMZHIEFXSA-N 1 0 393.531 3.961 20 30 GHEDRO C=CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1nc2c(s1)CCCC2 ZINC000654850355 834661111 /nfs/dbraw/zinc/66/11/11/834661111.db2.gz OTGZETSZEUOAFD-INIZCTEOSA-N 1 0 391.606 3.758 20 30 GHEDRO CC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1cccc(F)c1 ZINC000278776240 834884735 /nfs/dbraw/zinc/88/47/35/834884735.db2.gz YRERXPJLAZLEAP-FQEVSTJZSA-N 1 0 393.466 3.945 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(CC#N)cc1 ZINC000536118110 834973603 /nfs/dbraw/zinc/97/36/03/834973603.db2.gz CMKCZOPRWONGTO-UHFFFAOYSA-N 1 0 375.476 3.696 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)c1C ZINC000471147213 835031966 /nfs/dbraw/zinc/03/19/66/835031966.db2.gz JOHKBSIIZSJTFT-UZUQRXQVSA-N 1 0 385.552 3.717 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000548812704 835075756 /nfs/dbraw/zinc/07/57/56/835075756.db2.gz VEELJBLWGJSIOO-HXUWFJFHSA-N 1 0 398.576 3.977 20 30 GHEDRO N#C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000471151334 835079112 /nfs/dbraw/zinc/07/91/12/835079112.db2.gz KLDWVTPTISSNED-HXUWFJFHSA-N 1 0 382.895 3.551 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC000329532979 835203933 /nfs/dbraw/zinc/20/39/33/835203933.db2.gz XPMUSCSQPODDBI-HXUWFJFHSA-N 1 0 396.466 3.857 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000579830195 835251834 /nfs/dbraw/zinc/25/18/34/835251834.db2.gz PJMZYOWYAXNWBS-HNNXBMFYSA-N 1 0 382.426 3.732 20 30 GHEDRO C=C[C@@H](CC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000536166483 835280133 /nfs/dbraw/zinc/28/01/33/835280133.db2.gz SDVKSJYYXRBVPT-URXFXBBRSA-N 1 0 391.559 3.841 20 30 GHEDRO Cc1ccc(NC(=O)[C@H](C)N(C)CCOCc2ccc(C#N)cc2)c(Cl)c1 ZINC000583958298 835304240 /nfs/dbraw/zinc/30/42/40/835304240.db2.gz IOIDZTHTNFUNEI-INIZCTEOSA-N 1 0 385.895 3.996 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132127216 835312646 /nfs/dbraw/zinc/31/26/46/835312646.db2.gz WMVQRJRGJOMBSW-UGKGYDQZSA-N 1 0 391.515 3.643 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401367 835352594 /nfs/dbraw/zinc/35/25/94/835352594.db2.gz UTUSSLHESBJFMV-WMZOPIPTSA-N 1 0 398.482 3.644 20 30 GHEDRO N#CCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000151371222 835408388 /nfs/dbraw/zinc/40/83/88/835408388.db2.gz UUWQQTYUOKCFRS-JOCHJYFZSA-N 1 0 376.504 3.949 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000433361335 844051857 /nfs/dbraw/zinc/05/18/57/844051857.db2.gz CJEVUSCYYYGZPO-LJQANCHMSA-N 1 0 378.438 3.970 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC000262369317 835515295 /nfs/dbraw/zinc/51/52/95/835515295.db2.gz FCHVNCKTZWKEPD-DZGCQCFKSA-N 1 0 390.281 3.749 20 30 GHEDRO Cc1csc(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000584061591 835529423 /nfs/dbraw/zinc/52/94/23/835529423.db2.gz PHGDWTFIGRPXCJ-IYBDPMFKSA-N 1 0 390.553 3.671 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC)C2)cc1OCCCC#N ZINC000154423675 835663746 /nfs/dbraw/zinc/66/37/46/835663746.db2.gz LIBNXBCIIAPNLF-LJQANCHMSA-N 1 0 395.503 3.755 20 30 GHEDRO CC[N@H+](CCNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)CCC(F)(F)F ZINC000683252587 835687166 /nfs/dbraw/zinc/68/71/66/835687166.db2.gz UWODNJKBKZXBSM-UHFFFAOYSA-N 1 0 392.290 3.988 20 30 GHEDRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000135882181 835779598 /nfs/dbraw/zinc/77/95/98/835779598.db2.gz NWTLWNFRCLJEOI-GLYQVZKVSA-N 1 0 392.547 3.528 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(C#N)cc1 ZINC000278712452 835860714 /nfs/dbraw/zinc/86/07/14/835860714.db2.gz LPLBHOCFNOJTGK-QFIPXVFZSA-N 1 0 379.504 3.510 20 30 GHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000179628131 835898184 /nfs/dbraw/zinc/89/81/84/835898184.db2.gz RULBIDHYYAPWKJ-GOSISDBHSA-N 1 0 392.912 3.834 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329773609 835918452 /nfs/dbraw/zinc/91/84/52/835918452.db2.gz LQAFHTMRGCCGBR-PTFNDWLJSA-N 1 0 387.568 3.635 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)cc1 ZINC000093054204 844110465 /nfs/dbraw/zinc/11/04/65/844110465.db2.gz VWCIWQIZIHBFMK-SFTDATJTSA-N 1 0 393.531 3.700 20 30 GHEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000275037191 835993146 /nfs/dbraw/zinc/99/31/46/835993146.db2.gz XDNQEAZQHKYEMI-UHFFFAOYSA-N 1 0 388.437 3.864 20 30 GHEDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c2ccc(F)cc2O1 ZINC000584465140 836013181 /nfs/dbraw/zinc/01/31/81/836013181.db2.gz VGCZWDAMYOAFMO-YLJYHZDGSA-N 1 0 384.451 3.523 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc4c(c3)OCCCCO4)CC2)nc1 ZINC000582221870 836250978 /nfs/dbraw/zinc/25/09/78/836250978.db2.gz YNLVZIRGKTZODY-UHFFFAOYSA-N 1 0 393.487 3.984 20 30 GHEDRO Cc1ccc(C)c(OCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930018 836252679 /nfs/dbraw/zinc/25/26/79/836252679.db2.gz KXSVKFSOLSZWNK-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613389756 836270499 /nfs/dbraw/zinc/27/04/99/836270499.db2.gz NAQGUUBLUZPAEP-MBOZVWFJSA-N 1 0 397.544 3.774 20 30 GHEDRO C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187256826 836359460 /nfs/dbraw/zinc/35/94/60/836359460.db2.gz ROPASZJRNLAACU-FDDCHVKYSA-N 1 0 379.504 3.915 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000612540191 836379397 /nfs/dbraw/zinc/37/93/97/836379397.db2.gz ITVKRIFVVFOTHC-GOSISDBHSA-N 1 0 398.551 3.921 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2CC[C@@]23CC[NH2+]C3)c(Br)c1 ZINC001218113505 836418300 /nfs/dbraw/zinc/41/83/00/836418300.db2.gz AKGSXUCXCWXWFF-OCCSQVGLSA-N 1 0 386.087 3.604 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)cc(OC(C)C)c2)CC1 ZINC000177441355 836540213 /nfs/dbraw/zinc/54/02/13/836540213.db2.gz SPMHBQMFSZOOJM-UHFFFAOYSA-N 1 0 379.298 3.520 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000414212645 836577016 /nfs/dbraw/zinc/57/70/16/836577016.db2.gz RFUJCYYXFBWGKR-LBPRGKRZSA-N 1 0 380.872 3.995 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000510171370 836612693 /nfs/dbraw/zinc/61/26/93/836612693.db2.gz XFIMYGHMCFIBAA-LZNRXBQRSA-N 1 0 380.488 3.780 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472464102 836734910 /nfs/dbraw/zinc/73/49/10/836734910.db2.gz NWQWZWRXBSWEOB-IFMALSPDSA-N 1 0 396.579 3.602 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000376365031 836763792 /nfs/dbraw/zinc/76/37/92/836763792.db2.gz DYSAWEUVAZFVMB-IAGOWNOFSA-N 1 0 375.538 3.625 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175619451 836801050 /nfs/dbraw/zinc/80/10/50/836801050.db2.gz PBJFKAIJMYFTBE-FQEVSTJZSA-N 1 0 392.503 3.943 20 30 GHEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2ccccc2)n1 ZINC000180259429 836882704 /nfs/dbraw/zinc/88/27/04/836882704.db2.gz IUKVNHMQYYYTQK-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000180045332 836903813 /nfs/dbraw/zinc/90/38/13/836903813.db2.gz ITCUICYLFLVVKL-UHFFFAOYSA-N 1 0 394.862 3.673 20 30 GHEDRO Cn1cc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180282960 836939978 /nfs/dbraw/zinc/93/99/78/836939978.db2.gz JVIQWUMJEZXEMT-UHFFFAOYSA-N 1 0 394.906 3.997 20 30 GHEDRO C[C@H]1CN([C@@H](CNC(=[NH2+])Nc2ccccc2)c2c(F)cccc2Cl)CCO1 ZINC000066243219 837000440 /nfs/dbraw/zinc/00/04/40/837000440.db2.gz VTGBOPPOBVTOCP-KSSFIOAISA-N 1 0 390.890 3.668 20 30 GHEDRO N#Cc1cccc([C@@H](c2nc(-c3cccc4ccccc43)no2)N2CC[NH2+]CC2)c1 ZINC001211640745 837014715 /nfs/dbraw/zinc/01/47/15/837014715.db2.gz OIZPQXFEGOWGHB-QFIPXVFZSA-N 1 0 395.466 3.756 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000180293251 837024171 /nfs/dbraw/zinc/02/41/71/837024171.db2.gz ZRHJQYZYXCUMEE-MBSDFSHPSA-N 1 0 385.515 3.711 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000027073543 837025860 /nfs/dbraw/zinc/02/58/60/837025860.db2.gz MXPQTHNUQVSABP-LJQANCHMSA-O 1 0 383.537 3.607 20 30 GHEDRO N#CC1(c2cccnc2NCc2cncnc2)CC[NH+](Cc2ccccc2)CC1 ZINC001167256242 837049307 /nfs/dbraw/zinc/04/93/07/837049307.db2.gz LGPZXABEEDCRJF-UHFFFAOYSA-N 1 0 384.487 3.541 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)NCCCSC)[n+]2cccc(C)c2)c1 ZINC000027478725 837053594 /nfs/dbraw/zinc/05/35/94/837053594.db2.gz UCCQKGSTLDNYHC-UHFFFAOYSA-O 1 0 389.566 3.573 20 30 GHEDRO CN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472489048 837131092 /nfs/dbraw/zinc/13/10/92/837131092.db2.gz SSVKMFXJNGFMFK-FQEVSTJZSA-N 1 0 396.922 3.747 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472494539 837169454 /nfs/dbraw/zinc/16/94/54/837169454.db2.gz FFINJUBQAQMGRG-QFIPXVFZSA-N 1 0 380.536 3.601 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066676477 837197681 /nfs/dbraw/zinc/19/76/81/837197681.db2.gz JZLRJYDYWNEXED-IBGZPJMESA-N 1 0 391.515 3.696 20 30 GHEDRO C=CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccc(OC)cc1 ZINC000614352508 844246004 /nfs/dbraw/zinc/24/60/04/844246004.db2.gz CUOUSGNRPUVOQY-UHFFFAOYSA-N 1 0 378.472 3.760 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2ccc(OCC)cc2)CCOCC1 ZINC000066392068 837359993 /nfs/dbraw/zinc/35/99/93/837359993.db2.gz VUPMMZUPYDIWMT-IBGZPJMESA-N 1 0 388.552 3.536 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000177538570 837974027 /nfs/dbraw/zinc/97/40/27/837974027.db2.gz ATRKBWGSAJOAFY-RTWAWAEBSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1C#N ZINC000177517780 837994940 /nfs/dbraw/zinc/99/49/40/837994940.db2.gz OJJZBSCMNAKEON-QZTJIDSGSA-N 1 0 380.492 3.678 20 30 GHEDRO C[C@@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000415705355 838006691 /nfs/dbraw/zinc/00/66/91/838006691.db2.gz TXKUPIBCLREDIJ-CRAIPNDOSA-N 1 0 394.523 3.633 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C\c1ccccc1C#N ZINC000255121097 838118438 /nfs/dbraw/zinc/11/84/38/838118438.db2.gz UTBLHZFNUYTYAV-QOYCNBSOSA-N 1 0 389.499 3.790 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000046281430 838121475 /nfs/dbraw/zinc/12/14/75/838121475.db2.gz KUXLQBIPPOPTLE-UHFFFAOYSA-N 1 0 376.504 3.538 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415804299 838129524 /nfs/dbraw/zinc/12/95/24/838129524.db2.gz LINNFAFUXATCET-STQMWFEESA-N 1 0 382.302 3.605 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415811679 838139744 /nfs/dbraw/zinc/13/97/44/838139744.db2.gz YUYZBIJQNSSIFC-UHFFFAOYSA-N 1 0 382.302 3.525 20 30 GHEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187837284 838362433 /nfs/dbraw/zinc/36/24/33/838362433.db2.gz WOLULHMPLBWVTC-HNNXBMFYSA-N 1 0 397.441 3.557 20 30 GHEDRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376595790 838416031 /nfs/dbraw/zinc/41/60/31/838416031.db2.gz QWEFHXMYUWCZDK-IBGZPJMESA-N 1 0 379.504 3.502 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nccn3-c3ccccc3)C2)c(F)c1 ZINC000579185579 838504682 /nfs/dbraw/zinc/50/46/82/838504682.db2.gz RETIGCUZVOAULS-GOSISDBHSA-N 1 0 375.451 3.642 20 30 GHEDRO CC(C)(C)[C@H](CCO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000181475204 838506848 /nfs/dbraw/zinc/50/68/48/838506848.db2.gz MZXZMJNQNMXTOP-KRWDZBQOSA-N 1 0 377.554 3.604 20 30 GHEDRO C=C(C)[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)OCC ZINC001125867633 838538818 /nfs/dbraw/zinc/53/88/18/838538818.db2.gz IFEKXYOEMDFEKC-GOSISDBHSA-N 1 0 386.458 3.967 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000610348406 838591869 /nfs/dbraw/zinc/59/18/69/838591869.db2.gz IDRRMGGOLNSOKY-GOSISDBHSA-N 1 0 376.504 3.892 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC000376617979 838592989 /nfs/dbraw/zinc/59/29/89/838592989.db2.gz KEFWCUYRRAJYHK-HNNXBMFYSA-N 1 0 391.313 3.516 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000610348654 838600168 /nfs/dbraw/zinc/60/01/68/838600168.db2.gz ZJJBQQRLFSOULT-GOSISDBHSA-N 1 0 394.519 3.839 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000414593693 838653322 /nfs/dbraw/zinc/65/33/22/838653322.db2.gz RBONSUKMLCRSQM-LJQANCHMSA-N 1 0 383.467 3.885 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610358083 838664838 /nfs/dbraw/zinc/66/48/38/838664838.db2.gz YHABKMIVJDGOFO-RBUKOAKNSA-N 1 0 376.504 3.925 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)C2)n1 ZINC000328695067 838673965 /nfs/dbraw/zinc/67/39/65/838673965.db2.gz GICCZRHNORDBLP-AQNXPRMDSA-N 1 0 398.551 3.871 20 30 GHEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(Cl)cc1 ZINC000163660572 838692087 /nfs/dbraw/zinc/69/20/87/838692087.db2.gz YBZVPNRJOFCTTD-NRFANRHFSA-N 1 0 397.906 3.539 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000121167828 838822906 /nfs/dbraw/zinc/82/29/06/838822906.db2.gz SGEAUSOAIBYIIT-KMFTYDHNSA-N 1 0 398.551 3.525 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3CC[C@@H](Oc4cccc(Cl)c4)C3)o2)cc1 ZINC000120222794 838843183 /nfs/dbraw/zinc/84/31/83/838843183.db2.gz VAMZPQRCZCCIOY-GOSISDBHSA-N 1 0 380.835 3.915 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000579469077 838984997 /nfs/dbraw/zinc/98/49/97/838984997.db2.gz RUZOXMWRNUICGR-OXJNMPFZSA-N 1 0 394.519 3.758 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610407068 839121800 /nfs/dbraw/zinc/12/18/00/839121800.db2.gz PDCTURUWXCJYCR-GCJKJVERSA-N 1 0 391.519 3.710 20 30 GHEDRO COC[C@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCC[NH2+]1 ZINC000415061868 839148349 /nfs/dbraw/zinc/14/83/49/839148349.db2.gz LNCOIEWYPOOWTJ-JOCHJYFZSA-N 1 0 394.475 3.549 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000415074452 839171158 /nfs/dbraw/zinc/17/11/58/839171158.db2.gz AAFBRXLBFNFFSE-RDJZCZTQSA-N 1 0 394.475 3.950 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415082331 839178013 /nfs/dbraw/zinc/17/80/13/839178013.db2.gz LOTPSHNXJBJXFB-HUUCEWRRSA-N 1 0 380.448 3.573 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000415083206 839178547 /nfs/dbraw/zinc/17/85/47/839178547.db2.gz MPZNVBLUSDRHDQ-OAQYLSRUSA-N 1 0 380.448 3.562 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000415089719 839182914 /nfs/dbraw/zinc/18/29/14/839182914.db2.gz WORNAYUOPQYWKX-QFIPXVFZSA-N 1 0 392.459 3.576 20 30 GHEDRO CCCC[N@H+](C)CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000580296459 839195923 /nfs/dbraw/zinc/19/59/23/839195923.db2.gz WAJWIDUXWDQVQQ-UHFFFAOYSA-N 1 0 390.959 3.666 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415131150 839257889 /nfs/dbraw/zinc/25/78/89/839257889.db2.gz YJKFPRWYTQAGHB-UHFFFAOYSA-N 1 0 378.476 3.709 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247259701 839320125 /nfs/dbraw/zinc/32/01/25/839320125.db2.gz DYLUBKIADMZEAG-XAUMDUMWSA-N 1 0 383.517 3.586 20 30 GHEDRO C=CC[C@H]1N(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCC1(C)C ZINC000415196127 839367483 /nfs/dbraw/zinc/36/74/83/839367483.db2.gz QRGYJOXCQHLTGT-MRXNPFEDSA-N 1 0 397.441 3.696 20 30 GHEDRO CC[C@@](C)(C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458199096 844441299 /nfs/dbraw/zinc/44/12/99/844441299.db2.gz ODYFIXCVHRLTBW-XJUOHMSHSA-N 1 0 379.479 3.850 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000416687037 839534418 /nfs/dbraw/zinc/53/44/18/839534418.db2.gz NUXPXEMIJCDMLM-LEWJYISDSA-N 1 0 380.467 3.677 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CCNC(C)=O)C2CCSCC2)cc1Cl ZINC000549451816 839545521 /nfs/dbraw/zinc/54/55/21/839545521.db2.gz RKPCIPKXPHDHOP-UHFFFAOYSA-N 1 0 382.957 3.739 20 30 GHEDRO C=C(C)Cn1c(C(C)C)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549251783 839590524 /nfs/dbraw/zinc/59/05/24/839590524.db2.gz AWVMHGSFXJAGDY-RTBURBONSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549252416 839602249 /nfs/dbraw/zinc/60/22/49/839602249.db2.gz PFIJAZMTQJOZEU-NQIIRXRSSA-N 1 0 392.551 3.678 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2ccc3[nH]c(C)c(C)c3c2)=[NH+]C)C1 ZINC000261764605 844465632 /nfs/dbraw/zinc/46/56/32/844465632.db2.gz OOGMNOVHJPXSDK-WNGDZKDKSA-N 1 0 388.581 3.530 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000549272182 839734965 /nfs/dbraw/zinc/73/49/65/839734965.db2.gz AAGYONMUQIIWNI-NRFANRHFSA-N 1 0 392.551 3.703 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549290036 839844662 /nfs/dbraw/zinc/84/46/62/839844662.db2.gz GPHWJJJMDGQHIL-FQEVSTJZSA-N 1 0 394.567 3.865 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000247308624 840176891 /nfs/dbraw/zinc/17/68/91/840176891.db2.gz IDYYHBLRUNBLIK-QRVBRYPASA-N 1 0 391.515 3.598 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cccc(SCC#N)c2)cc1 ZINC000500378160 840301653 /nfs/dbraw/zinc/30/16/53/840301653.db2.gz JAEQYXKWDHBABL-NRFANRHFSA-N 1 0 395.528 3.878 20 30 GHEDRO C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000566751293 840304265 /nfs/dbraw/zinc/30/42/65/840304265.db2.gz IBEIPRSHBKDWOF-LJQANCHMSA-N 1 0 378.520 3.825 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418538725 840423907 /nfs/dbraw/zinc/42/39/07/840423907.db2.gz FEURQMPNBXSCHL-UXHICEINSA-N 1 0 385.533 3.600 20 30 GHEDRO Cc1nnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C#N)c1C ZINC000024052546 844548719 /nfs/dbraw/zinc/54/87/19/844548719.db2.gz UHHZCBGXLZJBJN-UHFFFAOYSA-N 1 0 383.499 3.877 20 30 GHEDRO O=C1CC[C@@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]2N1C1CC1 ZINC000119968887 840703355 /nfs/dbraw/zinc/70/33/55/840703355.db2.gz JWEXDNKEWCUOEM-VQIMIIECSA-N 1 0 376.422 3.532 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000660204294 840815638 /nfs/dbraw/zinc/81/56/38/840815638.db2.gz ITHKQKHWPCLYPK-HNNXBMFYSA-N 1 0 388.411 3.743 20 30 GHEDRO COc1ccccc1C/C(C)=C\C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000255281689 840934280 /nfs/dbraw/zinc/93/42/80/840934280.db2.gz YIVOXJVVZJKGIO-MNDPQUGUSA-N 1 0 391.515 3.646 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NC[C@@H]2CCOC2)c1 ZINC000136501153 840946443 /nfs/dbraw/zinc/94/64/43/840946443.db2.gz KBNIXBMJUIEYON-ZDUSSCGKSA-O 1 0 395.957 3.562 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)cc1OCCCC#N ZINC000067011260 840954400 /nfs/dbraw/zinc/95/44/00/840954400.db2.gz VUPZZXBZWCGTQT-UHFFFAOYSA-N 1 0 382.460 3.829 20 30 GHEDRO O=C(Nc1ccnc(OCC(F)(F)F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000329242100 861192383 /nfs/dbraw/zinc/19/23/83/861192383.db2.gz SDOVPMLXGRNTCF-UHFFFAOYSA-N 1 0 386.418 3.519 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccc(C)s1 ZINC000684255767 841369478 /nfs/dbraw/zinc/36/94/78/841369478.db2.gz YQFYFJLZLLBASJ-UHFFFAOYSA-N 1 0 390.578 3.837 20 30 GHEDRO COCCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(C)cc1 ZINC000027307711 841370488 /nfs/dbraw/zinc/37/04/88/841370488.db2.gz YSVYHEZOAJFMMQ-UHFFFAOYSA-O 1 0 385.553 3.691 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000581457832 841433521 /nfs/dbraw/zinc/43/35/21/841433521.db2.gz OFGJKKOIYPZXQD-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCOCC1 ZINC000125373351 841474373 /nfs/dbraw/zinc/47/43/73/841474373.db2.gz SHFGTCHDNCUEOM-KGLIPLIRSA-N 1 0 375.538 3.620 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000329250046 861206484 /nfs/dbraw/zinc/20/64/84/861206484.db2.gz XKRPCZOKLPCZHZ-ZWKOTPCHSA-N 1 0 387.553 3.760 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCC[NH2+]1 ZINC000662725994 841491089 /nfs/dbraw/zinc/49/10/89/841491089.db2.gz DARVVURNYYYFDZ-FQEVSTJZSA-N 1 0 384.867 3.624 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1OC ZINC000623562818 861207625 /nfs/dbraw/zinc/20/76/25/861207625.db2.gz DHTYKGYXAATGKN-JFIYKMOQSA-N 1 0 383.916 3.569 20 30 GHEDRO COc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)c(OC)c1OC ZINC000177715651 861213038 /nfs/dbraw/zinc/21/30/38/861213038.db2.gz NLNGIVZZBKPMEG-UHFFFAOYSA-N 1 0 379.378 3.873 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000500144207 841521015 /nfs/dbraw/zinc/52/10/15/841521015.db2.gz LKPVLGJRDIGHJT-FQEVSTJZSA-N 1 0 389.588 3.920 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000661273022 841589171 /nfs/dbraw/zinc/58/91/71/841589171.db2.gz ATKZIGXDRKZRBM-SZPZYZBQSA-N 1 0 396.535 3.502 20 30 GHEDRO N#CC(CC[NH+]1CCC(N2CCOCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000599472965 861220984 /nfs/dbraw/zinc/22/09/84/861220984.db2.gz UISIKRSFQWXBCV-UHFFFAOYSA-N 1 0 389.543 3.683 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610513498 841756696 /nfs/dbraw/zinc/75/66/96/841756696.db2.gz VXDRTUKMTDGZKW-QGZVFWFLSA-N 1 0 379.464 3.551 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000157834139 841832822 /nfs/dbraw/zinc/83/28/22/841832822.db2.gz LLDSLHDKVMKQMT-HNNXBMFYSA-N 1 0 380.439 3.649 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000164413497 841889416 /nfs/dbraw/zinc/88/94/16/841889416.db2.gz OMXPNYHEKYGFFN-UHFFFAOYSA-N 1 0 390.325 3.630 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(CC3(c4ccc(F)cc4)CC[NH2+]CC3)n2)c1 ZINC001211516632 841909006 /nfs/dbraw/zinc/90/90/06/841909006.db2.gz YZMIVRASRBPMJY-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@](C)(CC(=O)OC)c2ccncc2)ccc1OC ZINC000276506234 842035370 /nfs/dbraw/zinc/03/53/70/842035370.db2.gz YRLJQQNJRCYSGS-QFIPXVFZSA-N 1 0 384.476 3.613 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000581722795 842092872 /nfs/dbraw/zinc/09/28/72/842092872.db2.gz BYQPNUODLFGZBU-IBGZPJMESA-N 1 0 382.552 3.939 20 30 GHEDRO C=CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C(C)(C)C ZINC000661756596 842142325 /nfs/dbraw/zinc/14/23/25/842142325.db2.gz RYYILZLCLPQUPW-UHFFFAOYSA-N 1 0 381.402 3.511 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+](C2CCC2)C1 ZINC000570116573 842258835 /nfs/dbraw/zinc/25/88/35/842258835.db2.gz DTIXSVOERVASJC-CYBMUJFWSA-N 1 0 380.414 3.915 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000066922051 842423100 /nfs/dbraw/zinc/42/31/00/842423100.db2.gz HZDQKFKQEPMIMN-UHFFFAOYSA-N 1 0 395.890 3.876 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)CC1 ZINC000066921352 842428254 /nfs/dbraw/zinc/42/82/54/842428254.db2.gz OOWNAYUHWAYZOA-UHFFFAOYSA-N 1 0 396.453 3.548 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000187527104 842620821 /nfs/dbraw/zinc/62/08/21/842620821.db2.gz PDWUDPSDOFNHLP-QFIPXVFZSA-N 1 0 391.515 3.798 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000652562338 842743070 /nfs/dbraw/zinc/74/30/70/842743070.db2.gz YMQGOYNDAJFCTH-QEUVDIPISA-N 1 0 395.551 3.803 20 30 GHEDRO N#CCc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC000599573221 842776144 /nfs/dbraw/zinc/77/61/44/842776144.db2.gz NBYACUJMABWYBH-FQEVSTJZSA-N 1 0 385.305 3.525 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ncc(C#N)cc1Cl ZINC000432520155 842827880 /nfs/dbraw/zinc/82/78/80/842827880.db2.gz QESHPBMWSWBZJE-UHFFFAOYSA-N 1 0 386.908 3.716 20 30 GHEDRO COc1cc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c2ccccc2n1 ZINC000329378638 861352616 /nfs/dbraw/zinc/35/26/16/861352616.db2.gz MQJCCTIXCBXZAW-QGZVFWFLSA-N 1 0 385.533 3.917 20 30 GHEDRO COc1cc(C[N@H+](C)[C@@H](CO)CC(C)C)ccc1OCc1cccc(C#N)c1 ZINC000481437303 861360751 /nfs/dbraw/zinc/36/07/51/861360751.db2.gz VCUYKDAOHWGCBM-OAQYLSRUSA-N 1 0 382.504 3.985 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610581555 843070869 /nfs/dbraw/zinc/07/08/69/843070869.db2.gz SPVLVDQVAORQIH-BHIFYINESA-N 1 0 378.472 3.872 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)CCC[NH2+]1 ZINC000662477386 843310091 /nfs/dbraw/zinc/31/00/91/843310091.db2.gz ZTFWWBILDTVFFK-QVKFZJNVSA-N 1 0 389.927 3.991 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CCC[NH2+]1 ZINC000662487390 843324357 /nfs/dbraw/zinc/32/43/57/843324357.db2.gz BIEAATFICKTSDL-QFIPXVFZSA-N 1 0 381.451 3.644 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)cc1 ZINC000610652230 843371878 /nfs/dbraw/zinc/37/18/78/843371878.db2.gz KEIHMWWSZPIZHM-WIOPSUGQSA-N 1 0 390.527 3.862 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000429809726 843410165 /nfs/dbraw/zinc/41/01/65/843410165.db2.gz OYGALYOQRUMCHN-GOSISDBHSA-N 1 0 377.513 3.984 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1cccc(OC)c1OC1CCCC1 ZINC000178575873 843440602 /nfs/dbraw/zinc/44/06/02/843440602.db2.gz AWDZJTUWKRBMGP-UHFFFAOYSA-N 1 0 383.492 3.630 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)C[C@H]1C ZINC000329435702 861421412 /nfs/dbraw/zinc/42/14/12/861421412.db2.gz LPFJIXVZOVTJGO-YPMHNXCESA-N 1 0 380.876 3.671 20 30 GHEDRO Cc1cccc2c1CC[C@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000105291056 843527325 /nfs/dbraw/zinc/52/73/25/843527325.db2.gz YNILYHKAVAWXDB-HSZRJFAPSA-N 1 0 388.515 3.772 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418669706 843528164 /nfs/dbraw/zinc/52/81/64/843528164.db2.gz JSANUKZLWARETO-FQEVSTJZSA-N 1 0 382.464 3.773 20 30 GHEDRO C[C@@H](CCCC[NH3+])NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000418695342 843543048 /nfs/dbraw/zinc/54/30/48/843543048.db2.gz LIJFASJQEIXMDP-KRWDZBQOSA-N 1 0 382.483 3.927 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(CC[NH+](C)C)CC2)c1C#N ZINC000121616588 843570813 /nfs/dbraw/zinc/57/08/13/843570813.db2.gz VXDYAFWDJJQXRZ-UHFFFAOYSA-N 1 0 399.583 3.694 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc(OC)c1O ZINC000512370012 843572187 /nfs/dbraw/zinc/57/21/87/843572187.db2.gz JDDJMWAXGXNFLZ-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432719941 843584642 /nfs/dbraw/zinc/58/46/42/843584642.db2.gz VBEFOWKJOVHSEL-UHFFFAOYSA-N 1 0 380.492 3.597 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000584835181 843677767 /nfs/dbraw/zinc/67/77/67/843677767.db2.gz SNRXHMUQIGDIBZ-MJGOQNOKSA-N 1 0 388.920 3.911 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253666 843728685 /nfs/dbraw/zinc/72/86/85/843728685.db2.gz DKHUJEUJDJTOCI-HNNXBMFYSA-N 1 0 397.357 3.796 20 30 GHEDRO Cc1cc(-c2noc([C@H](c3cc4ccccc4[nH]3)N3CC[C@H]([NH3+])C3)n2)ccc1C#N ZINC001211812171 843827450 /nfs/dbraw/zinc/82/74/50/843827450.db2.gz XTHXZXFXLOTPPE-RXVVDRJESA-N 1 0 398.470 3.520 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000549670053 843878052 /nfs/dbraw/zinc/87/80/52/843878052.db2.gz ULQYSMPXDFVFIT-UHFFFAOYSA-N 1 0 382.556 3.783 20 30 GHEDRO C=CCN(CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1cccs1 ZINC000015519206 843921603 /nfs/dbraw/zinc/92/16/03/843921603.db2.gz VLJCZDVPLKWAQT-UHFFFAOYSA-N 1 0 398.576 3.517 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2C[C@H](O)C[C@H]2c2ccccc2)ccc1Cl ZINC000411960506 843953724 /nfs/dbraw/zinc/95/37/24/843953724.db2.gz YYQGFSZRNHPKRS-CTNGQTDRSA-N 1 0 397.906 3.703 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(F)c1 ZINC000512478856 843961009 /nfs/dbraw/zinc/96/10/09/843961009.db2.gz FIYGKALNAGZDIY-INIZCTEOSA-N 1 0 384.430 3.870 20 30 GHEDRO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000433298985 843986182 /nfs/dbraw/zinc/98/61/82/843986182.db2.gz ARNVZXVAFZLPRV-SAHWJRBASA-N 1 0 387.487 3.902 20 30 GHEDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000433313088 843999372 /nfs/dbraw/zinc/99/93/72/843999372.db2.gz UAXUKVOXMOHORT-WOJBJXKFSA-N 1 0 381.524 3.932 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1OC ZINC000549924980 844659801 /nfs/dbraw/zinc/65/98/01/844659801.db2.gz WZRTYHYFDSSNHR-SCLBCKFNSA-N 1 0 384.314 3.663 20 30 GHEDRO C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000047011379 844680251 /nfs/dbraw/zinc/68/02/51/844680251.db2.gz BVJGTIQPXWNEBR-UWJYYQICSA-N 1 0 379.504 3.798 20 30 GHEDRO Cc1cccc2c1CCC2=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000729140818 844744195 /nfs/dbraw/zinc/74/41/95/844744195.db2.gz NECGENXAVNNMMO-UHFFFAOYSA-N 1 0 392.572 3.774 20 30 GHEDRO Cc1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)ccc1C[NH+](C)C ZINC000458268938 844770653 /nfs/dbraw/zinc/77/06/53/844770653.db2.gz RAZRQOGKCNFBDW-GOSISDBHSA-N 1 0 380.467 3.532 20 30 GHEDRO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329472603 861496217 /nfs/dbraw/zinc/49/62/17/861496217.db2.gz AIQKFSSNUOUJIQ-UXHICEINSA-N 1 0 386.540 3.976 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120661344 844867405 /nfs/dbraw/zinc/86/74/05/844867405.db2.gz OXAQMZLYFGNBHN-UHFFFAOYSA-N 1 0 376.460 3.702 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](n4ccnc4)C3)sc2C1 ZINC000610944796 844876145 /nfs/dbraw/zinc/87/61/45/844876145.db2.gz BFXMNLNHNSVUDD-CVEARBPZSA-N 1 0 397.548 3.607 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)cc1 ZINC000614447184 844884683 /nfs/dbraw/zinc/88/46/83/844884683.db2.gz ZUKGCUZHTMLSJI-HXUWFJFHSA-N 1 0 388.552 3.585 20 30 GHEDRO C[N@H+](Cc1ccccc1NCC(=O)N(CCC#N)CCC#N)C1CCCCC1 ZINC000096970693 844885812 /nfs/dbraw/zinc/88/58/12/844885812.db2.gz GOWPSCANOZYYQL-UHFFFAOYSA-N 1 0 381.524 3.519 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000599678788 861517966 /nfs/dbraw/zinc/51/79/66/861517966.db2.gz MUZMEXMFHXFCFG-GOSISDBHSA-N 1 0 390.405 3.569 20 30 GHEDRO CC(C)[C@H](C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[NH+]1CCCCC1 ZINC000329489116 861521616 /nfs/dbraw/zinc/52/16/16/861521616.db2.gz HJQTZECFZROKLA-UYAOXDASSA-N 1 0 399.514 3.866 20 30 GHEDRO COC[C@H](C)[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc21 ZINC000599683734 861525040 /nfs/dbraw/zinc/52/50/40/861525040.db2.gz UUTMYVCPQFLALU-XZOYJPPVSA-N 1 0 394.515 3.517 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(C#N)(CC)CC)ccc1Cl ZINC000599709648 861531480 /nfs/dbraw/zinc/53/14/80/861531480.db2.gz QBRQIJOAWPWPFR-UHFFFAOYSA-N 1 0 392.931 3.680 20 30 GHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)c2)c1 ZINC000126299638 845227336 /nfs/dbraw/zinc/22/73/36/845227336.db2.gz FZJISNZNIBDELE-NRFANRHFSA-N 1 0 388.471 3.623 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000255428981 845231713 /nfs/dbraw/zinc/23/17/13/845231713.db2.gz MUFUAFCPQIMMIX-OQLNFPPLSA-N 1 0 379.504 3.706 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000277208793 845297575 /nfs/dbraw/zinc/29/75/75/845297575.db2.gz GTFRWWWFZVGLID-UHFFFAOYSA-N 1 0 389.515 3.557 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)[NH+]1CCCC1 ZINC000433106026 845305720 /nfs/dbraw/zinc/30/57/20/845305720.db2.gz SKZNJZXGZIKJEJ-UNMCSNQZSA-N 1 0 391.515 3.721 20 30 GHEDRO Cc1nc(CN2CCC(CNC(=[NH2+])Nc3cccc4c3CCCC4)CC2)oc1C ZINC000262528871 845422473 /nfs/dbraw/zinc/42/24/73/845422473.db2.gz MGTOYQHFXMLPTQ-UHFFFAOYSA-N 1 0 395.551 3.809 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000513443059 845454274 /nfs/dbraw/zinc/45/42/74/845454274.db2.gz LBICVPCHBQVVON-INIZCTEOSA-N 1 0 395.341 3.691 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc([C@H](c3ccc4ccccc4c3)N3CC([NH3+])C3)n2)c1 ZINC001211801283 845552278 /nfs/dbraw/zinc/55/22/78/845552278.db2.gz LTQKMYHFRUZJBS-NRFANRHFSA-N 1 0 399.429 3.633 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc([C@@H](c3ccc4ccccc4c3)N3CC([NH3+])C3)n2)c1 ZINC001211801284 845553456 /nfs/dbraw/zinc/55/34/56/845553456.db2.gz LTQKMYHFRUZJBS-OAQYLSRUSA-N 1 0 399.429 3.633 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000604022733 861601097 /nfs/dbraw/zinc/60/10/97/861601097.db2.gz XGHDNLAARLIHQJ-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000539268136 846054652 /nfs/dbraw/zinc/05/46/52/846054652.db2.gz PJOPAGJIIVXNPK-KBPBESRZSA-N 1 0 385.464 3.853 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCN(OC)CC2)cc1OCC ZINC000421392852 846207354 /nfs/dbraw/zinc/20/73/54/846207354.db2.gz CPDRDZKKRMAQCS-UHFFFAOYSA-N 1 0 399.329 3.528 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000414523760 846291811 /nfs/dbraw/zinc/29/18/11/846291811.db2.gz IUVBQPLPCWJSOU-WMZHIEFXSA-N 1 0 395.551 3.591 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](OC(F)F)C2)sc2c1CCCC2 ZINC000611577470 846380055 /nfs/dbraw/zinc/38/00/55/846380055.db2.gz JLDPRPRBYVPFHN-GFCCVEGCSA-N 1 0 383.464 3.531 20 30 GHEDRO Cc1ccccc1C[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000028882463 861671816 /nfs/dbraw/zinc/67/18/16/861671816.db2.gz VWQUTPAWDMILLP-UHFFFAOYSA-N 1 0 396.922 3.667 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1C#N ZINC000419398431 846521811 /nfs/dbraw/zinc/52/18/11/846521811.db2.gz WZWJWLHAHLRZCS-ZMSDIMECSA-N 1 0 382.508 3.923 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1C#N ZINC000451476917 846646991 /nfs/dbraw/zinc/64/69/91/846646991.db2.gz GVNMHPDAMKMLAB-IOMROCGXSA-N 1 0 398.551 3.823 20 30 GHEDRO N#CC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCC1 ZINC000419637731 846708746 /nfs/dbraw/zinc/70/87/46/846708746.db2.gz FWAPMVHCDRKZFT-UHFFFAOYSA-N 1 0 394.441 3.617 20 30 GHEDRO COc1ccc(OCCN(C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000051563056 846769065 /nfs/dbraw/zinc/76/90/65/846769065.db2.gz IVKHLHUSWYBEQM-UHFFFAOYSA-N 1 0 395.503 3.570 20 30 GHEDRO C=CCc1cc(CNc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)cc(OC)c1O ZINC000419763132 846785574 /nfs/dbraw/zinc/78/55/74/846785574.db2.gz NDNUGOMIVOHVFR-CQSZACIVSA-N 1 0 381.476 3.953 20 30 GHEDRO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183761825 847037164 /nfs/dbraw/zinc/03/71/64/847037164.db2.gz LQZGBOGSUMZGJU-NRFANRHFSA-N 1 0 387.487 3.705 20 30 GHEDRO CSc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Br ZINC000599827905 861753986 /nfs/dbraw/zinc/75/39/86/861753986.db2.gz HYGIRDVFLCSOBB-UHFFFAOYSA-N 1 0 399.358 3.870 20 30 GHEDRO CCOc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1OCC(=O)N1CCCCC1 ZINC000272549528 847107942 /nfs/dbraw/zinc/10/79/42/847107942.db2.gz QXKLMCYJLZJSJT-UHFFFAOYSA-N 1 0 399.535 3.602 20 30 GHEDRO C[NH+]=C(NCCc1nc(C)c(C)s1)NCc1nc2cc(Cl)ccc2s1 ZINC000261819826 847137139 /nfs/dbraw/zinc/13/71/39/847137139.db2.gz UHRCPORVKRSJHB-UHFFFAOYSA-N 1 0 393.969 3.931 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[NH+]2CCCCC2)cc1 ZINC000272704201 847150429 /nfs/dbraw/zinc/15/04/29/847150429.db2.gz ZRSBTSZEGFKTDZ-HXUWFJFHSA-N 1 0 384.524 3.557 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000501785519 847182911 /nfs/dbraw/zinc/18/29/11/847182911.db2.gz LMYRJWOJFURZGL-ROUUACIJSA-N 1 0 387.487 3.703 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000582416494 847185003 /nfs/dbraw/zinc/18/50/03/847185003.db2.gz XZHVNTFJFBUBSQ-LJQANCHMSA-N 1 0 377.488 3.629 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](CCO)CC3)sc2C1 ZINC000421013325 847611180 /nfs/dbraw/zinc/61/11/80/847611180.db2.gz JGFQHIFSXIFMCW-HZPDHXFCSA-N 1 0 389.565 3.558 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1 ZINC000048809197 847912726 /nfs/dbraw/zinc/91/27/26/847912726.db2.gz GOGKBBMSMSYTRL-SFHVURJKSA-N 1 0 376.504 3.932 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000503859458 847972254 /nfs/dbraw/zinc/97/22/54/847972254.db2.gz SRMZDFMVVQBBSN-KWLQHXCVSA-N 1 0 389.499 3.620 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000582694375 848051475 /nfs/dbraw/zinc/05/14/75/848051475.db2.gz MRYRVJHDGPKFPW-FPOVZHCZSA-N 1 0 397.567 3.826 20 30 GHEDRO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329638354 861860536 /nfs/dbraw/zinc/86/05/36/861860536.db2.gz WBNGCDFFIYQODT-ZINXYGQCSA-N 1 0 385.552 3.582 20 30 GHEDRO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329638351 861860971 /nfs/dbraw/zinc/86/09/71/861860971.db2.gz WBNGCDFFIYQODT-XUFNMVPLSA-N 1 0 385.552 3.582 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 ZINC000511183453 848086582 /nfs/dbraw/zinc/08/65/82/848086582.db2.gz BKTIFUXEAWLROE-INIZCTEOSA-N 1 0 379.479 3.975 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000582713528 848119888 /nfs/dbraw/zinc/11/98/88/848119888.db2.gz TYXIPXZNMGFCEE-JENIJYKNSA-N 1 0 376.460 3.860 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)Cc2cccc(C#N)c2)CC1 ZINC000548756897 848152409 /nfs/dbraw/zinc/15/24/09/848152409.db2.gz WUUFMXZHLHISNQ-UHFFFAOYSA-N 1 0 376.504 3.517 20 30 GHEDRO N#Cc1cc2c(nc1N1CCC(c3ccccc3)([NH+]3CCCC3)CC1)CCOC2 ZINC000896838527 861914232 /nfs/dbraw/zinc/91/42/32/861914232.db2.gz LKIKOQPKRSHMNG-UHFFFAOYSA-N 1 0 388.515 3.617 20 30 GHEDRO COc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1OC ZINC000120359782 848555732 /nfs/dbraw/zinc/55/57/32/848555732.db2.gz SMVDUYJPBSTDNP-UHFFFAOYSA-N 1 0 390.487 3.813 20 30 GHEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC001167629923 848571633 /nfs/dbraw/zinc/57/16/33/848571633.db2.gz NPKDEVYLBATMEQ-DLBZAZTESA-N 1 0 376.504 3.897 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000180044669 861921511 /nfs/dbraw/zinc/92/15/11/861921511.db2.gz LYCXEOFTLYTYID-OAQYLSRUSA-N 1 0 385.471 3.980 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1cccc(C#N)c1 ZINC000048825982 848664545 /nfs/dbraw/zinc/66/45/45/848664545.db2.gz RBZVRZXAYYJDKA-SFHVURJKSA-N 1 0 376.504 3.932 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)cc1F ZINC000187865111 848693428 /nfs/dbraw/zinc/69/34/28/848693428.db2.gz WQVNXYUPWBNCTG-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599969528 861947153 /nfs/dbraw/zinc/94/71/53/861947153.db2.gz XWQXUVKCVFWRER-RTBURBONSA-N 1 0 381.545 3.972 20 30 GHEDRO C=CCN(CCC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599961132 861964888 /nfs/dbraw/zinc/96/48/88/861964888.db2.gz BQSUUCPUBIJFGY-WOJBJXKFSA-N 1 0 379.529 3.892 20 30 GHEDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481666458 861968558 /nfs/dbraw/zinc/96/85/58/861968558.db2.gz FMDXCYMGGKOOTN-CVDCTZTESA-N 1 0 389.547 3.521 20 30 GHEDRO CCC[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)N1CCc2sccc2C1 ZINC000329662012 861968798 /nfs/dbraw/zinc/96/87/98/861968798.db2.gz OQRRMFZUCZIFAC-UXLLHSPISA-N 1 0 377.554 3.631 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000329666101 861974192 /nfs/dbraw/zinc/97/41/92/861974192.db2.gz RASXSJNCXNOKLG-UZKOGDIHSA-N 1 0 395.551 3.914 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000583125985 849124438 /nfs/dbraw/zinc/12/44/38/849124438.db2.gz ONVKQWGXVJJLBM-SFHVURJKSA-N 1 0 390.535 3.703 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000481690936 862031594 /nfs/dbraw/zinc/03/15/94/862031594.db2.gz ZZLLHLFBGFKSJN-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000434868392 849855423 /nfs/dbraw/zinc/85/54/23/849855423.db2.gz LHSQTUASRQDKBB-YOEHRIQHSA-N 1 0 399.516 3.873 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434903758 849886395 /nfs/dbraw/zinc/88/63/95/849886395.db2.gz BQAKYCLJRHHMFZ-FVRICEFQSA-N 1 0 389.584 3.977 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000504094461 849895492 /nfs/dbraw/zinc/89/54/92/849895492.db2.gz UMQIQGCIXPWYAW-CQSZACIVSA-N 1 0 395.301 3.805 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC2(S(C)(=O)=O)CCCC2)cc1 ZINC000504407742 850056211 /nfs/dbraw/zinc/05/62/11/850056211.db2.gz HNGYAJZJPYATCL-UHFFFAOYSA-N 1 0 399.560 3.910 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000505608371 850078722 /nfs/dbraw/zinc/07/87/22/850078722.db2.gz NIIPDUHIQPFEEN-YHYVQYDKSA-N 1 0 379.504 3.769 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000424110242 850222862 /nfs/dbraw/zinc/22/28/62/850222862.db2.gz CYOKHHSDFOMGSU-SFHVURJKSA-N 1 0 376.504 3.925 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000424138868 850245168 /nfs/dbraw/zinc/24/51/68/850245168.db2.gz NCVHGXBECXMHCJ-RCZSKKKRSA-N 1 0 380.488 3.946 20 30 GHEDRO Cc1sc([C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)nc1-c1ccc(Cl)cc1 ZINC000424131158 850257030 /nfs/dbraw/zinc/25/70/30/850257030.db2.gz VYTUPNCQMDPLAK-NHYWBVRUSA-N 1 0 376.913 3.970 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000424133673 850260816 /nfs/dbraw/zinc/26/08/16/850260816.db2.gz XTVADYJWAHRCBG-MSOLQXFVSA-N 1 0 377.822 3.845 20 30 GHEDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000556519329 862110350 /nfs/dbraw/zinc/11/03/50/862110350.db2.gz MNJLKRRBGIXMGH-KSSFIOAISA-N 1 0 388.414 3.670 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(N(C)C)cc1 ZINC000028776915 850271699 /nfs/dbraw/zinc/27/16/99/850271699.db2.gz KBBLXBYQESXBAV-UHFFFAOYSA-O 1 0 382.553 3.680 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000424189715 850282299 /nfs/dbraw/zinc/28/22/99/850282299.db2.gz DTMTZWYUXUJBSG-FUHWJXTLSA-N 1 0 381.432 3.964 20 30 GHEDRO Cc1sc(NC(=O)CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000426467269 850306187 /nfs/dbraw/zinc/30/61/87/850306187.db2.gz INUBYNMHEBHFAY-IBGZPJMESA-N 1 0 396.560 3.772 20 30 GHEDRO N#Cc1ccccc1N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000505674519 850403597 /nfs/dbraw/zinc/40/35/97/850403597.db2.gz RMHWOEUCXBEFMH-UHFFFAOYSA-N 1 0 388.515 3.507 20 30 GHEDRO C[C@H](c1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1)N1CCOCC1 ZINC000435363584 850427491 /nfs/dbraw/zinc/42/74/91/850427491.db2.gz LLHNMZQIRKBSGK-QGZVFWFLSA-N 1 0 375.472 3.622 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000151244244 850619450 /nfs/dbraw/zinc/61/94/50/850619450.db2.gz ZYMYQQVFVMUONT-ROUUACIJSA-N 1 0 398.551 3.540 20 30 GHEDRO C=CCC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000424698796 850648051 /nfs/dbraw/zinc/64/80/51/850648051.db2.gz CPPRQIVPNWVMRL-HSZRJFAPSA-N 1 0 382.548 3.874 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481746365 862153246 /nfs/dbraw/zinc/15/32/46/862153246.db2.gz QLNLNTMCIWLVRR-XIKOKIGWSA-N 1 0 396.304 3.637 20 30 GHEDRO C[NH+](C)CCCn1c(SCCCC#N)nc2sc3c(c2c1=O)CCCC3 ZINC000057532538 862154537 /nfs/dbraw/zinc/15/45/37/862154537.db2.gz ANJPXDRGXWAUSL-UHFFFAOYSA-N 1 0 390.578 3.684 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3ccc(F)cc3)CC2)cc1 ZINC000029985883 862179286 /nfs/dbraw/zinc/17/92/86/862179286.db2.gz WPRSLSQYLXXUEU-UHFFFAOYSA-N 1 0 395.478 3.591 20 30 GHEDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000029983891 862179433 /nfs/dbraw/zinc/17/94/33/862179433.db2.gz GVYWQZXGKAPWDC-UHFFFAOYSA-N 1 0 384.483 3.763 20 30 GHEDRO CC(C)C[C@](C)(C#N)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435904847 850962896 /nfs/dbraw/zinc/96/28/96/850962896.db2.gz ZYKNNIIVQXDIGT-HSZRJFAPSA-N 1 0 380.536 3.852 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccccc1C#N)c1cccc(OC)c1 ZINC000209492142 850980543 /nfs/dbraw/zinc/98/05/43/850980543.db2.gz BXGINFOCEIEARO-KCNXZKISSA-N 1 0 377.488 3.779 20 30 GHEDRO CC1CCC(OC2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)CC1 ZINC000519444244 851051650 /nfs/dbraw/zinc/05/16/50/851051650.db2.gz UGQHYTLVMPQLIK-UHFFFAOYSA-N 1 0 375.557 3.731 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000604468331 862210087 /nfs/dbraw/zinc/21/00/87/862210087.db2.gz KSVDYOVHYRCZNF-KRWDZBQOSA-N 1 0 379.287 3.631 20 30 GHEDRO COCCOCc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000515556864 851171436 /nfs/dbraw/zinc/17/14/36/851171436.db2.gz OLQIHVYFJQSCDU-UHFFFAOYSA-N 1 0 398.478 3.904 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CC)CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000425455462 851174911 /nfs/dbraw/zinc/17/49/11/851174911.db2.gz UEYRBFKUOXMCHN-UHFFFAOYSA-N 1 0 383.458 3.930 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000425467588 851211227 /nfs/dbraw/zinc/21/12/27/851211227.db2.gz CSNYLXUYJKEOPM-MRXNPFEDSA-N 1 0 391.537 3.925 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000436381801 851537251 /nfs/dbraw/zinc/53/72/51/851537251.db2.gz BENFUIQAHRAKES-GHTZIAJQSA-N 1 0 387.524 3.654 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C[C@H]1CCCO1 ZINC000488639339 851668766 /nfs/dbraw/zinc/66/87/66/851668766.db2.gz FIHFSOBLBHKDNN-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000550159558 851763568 /nfs/dbraw/zinc/76/35/68/851763568.db2.gz RXZVZGJPMNGNPO-KRWDZBQOSA-N 1 0 392.341 3.608 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)CC1CCCC1 ZINC000473736935 851793961 /nfs/dbraw/zinc/79/39/61/851793961.db2.gz QWZKFOHCJATSRW-SFHVURJKSA-N 1 0 378.586 3.526 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccsc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000438093485 852013124 /nfs/dbraw/zinc/01/31/24/852013124.db2.gz DJQDASHIAAJFKK-OAHLLOKOSA-N 1 0 391.504 3.863 20 30 GHEDRO C[C@@H](CSc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000517662559 852235755 /nfs/dbraw/zinc/23/57/55/852235755.db2.gz ZHUHISQPTYJVIN-SFHVURJKSA-N 1 0 381.545 3.877 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[NH2+]C3(Cc4cccc(F)c4)CCOCC3)o2)c1 ZINC000550274615 852257924 /nfs/dbraw/zinc/25/79/24/852257924.db2.gz MFIBZHOKSWCKJP-UHFFFAOYSA-N 1 0 392.434 3.629 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(NC(C)(C)C)=[NH+]C[C@@H]1CCCO1 ZINC000912507916 852313143 /nfs/dbraw/zinc/31/31/43/852313143.db2.gz HRNHRMCJANAYNJ-IBGZPJMESA-N 1 0 383.540 3.502 20 30 GHEDRO CC(C)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000506223557 852384098 /nfs/dbraw/zinc/38/40/98/852384098.db2.gz MDNYRPRHSFOXER-OAHLLOKOSA-N 1 0 375.538 3.574 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)CC1 ZINC000506985356 852422743 /nfs/dbraw/zinc/42/27/43/852422743.db2.gz OVMJPTURZGEJOX-GOSISDBHSA-N 1 0 385.556 3.931 20 30 GHEDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000425651946 852493092 /nfs/dbraw/zinc/49/30/92/852493092.db2.gz NNEWRJBWSYTBNV-MRXNPFEDSA-N 1 0 390.553 3.513 20 30 GHEDRO ON=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(OC(F)(F)F)cc1 ZINC001167961426 852498006 /nfs/dbraw/zinc/49/80/06/852498006.db2.gz KITFFDSRYGWGQN-MQVJKMGUSA-N 1 0 383.414 3.716 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000427011910 852613364 /nfs/dbraw/zinc/61/33/64/852613364.db2.gz KOTUTELUETYSOX-UHFFFAOYSA-N 1 0 376.570 3.619 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507178984 852627855 /nfs/dbraw/zinc/62/78/55/852627855.db2.gz GMKAVUZDSHKTHJ-JTSKRJEESA-N 1 0 382.508 3.649 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000505930176 852629448 /nfs/dbraw/zinc/62/94/48/852629448.db2.gz LNZULCGBSAYHPI-GHTZIAJQSA-N 1 0 385.577 3.904 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[NH+](C)C)cc1 ZINC000489964347 852677206 /nfs/dbraw/zinc/67/72/06/852677206.db2.gz KXWZELDARJPJAA-GMAHTHKFSA-N 1 0 393.531 3.965 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC000669035481 852782957 /nfs/dbraw/zinc/78/29/57/852782957.db2.gz MOTNJJMZLOWJOW-RTWAWAEBSA-N 1 0 395.551 3.760 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000490211877 852818474 /nfs/dbraw/zinc/81/84/74/852818474.db2.gz ICYAHMJBQCUWJI-UHFFFAOYSA-N 1 0 375.561 3.816 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)Cc3ccc(CC#N)cc3)cc2)C1 ZINC000519603757 852894434 /nfs/dbraw/zinc/89/44/34/852894434.db2.gz IPONDDVWNCJZKB-SFHVURJKSA-N 1 0 397.544 3.926 20 30 GHEDRO Cc1nnc(CNC(NC2CCC(c3ccccc3)CC2)=[NH+]C2CCCC2)n1C ZINC000261941502 852937320 /nfs/dbraw/zinc/93/73/20/852937320.db2.gz DNQRIBFFLGLZIR-UHFFFAOYSA-N 1 0 394.567 3.828 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000729475300 852956776 /nfs/dbraw/zinc/95/67/76/852956776.db2.gz QVWXVSDZPMALAO-RTBURBONSA-N 1 0 393.572 3.665 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)CC1 ZINC000329915863 862420054 /nfs/dbraw/zinc/42/00/54/862420054.db2.gz PYKMLYPWDOLDEL-UHFFFAOYSA-N 1 0 381.524 3.798 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)CC1 ZINC000507638568 853117277 /nfs/dbraw/zinc/11/72/77/853117277.db2.gz TUEAQZQUEOVFGA-DKTYTTGXSA-N 1 0 386.442 3.698 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427466757 853145270 /nfs/dbraw/zinc/14/52/70/853145270.db2.gz XAFTVUPMFOTLRL-OAHLLOKOSA-N 1 0 391.368 3.720 20 30 GHEDRO Cc1nn(C)c2ncc(C[NH2+]C3CCC(Oc4ccccc4C#N)CC3)cc12 ZINC000111408714 853151945 /nfs/dbraw/zinc/15/19/45/853151945.db2.gz MPSSXVXOQVCDRN-UHFFFAOYSA-N 1 0 375.476 3.628 20 30 GHEDRO CSc1cccc(N2C[C@@H](C(=O)NCC3CC[NH+](C4CC4)CC3)CC2=O)c1 ZINC000329934585 862437385 /nfs/dbraw/zinc/43/73/85/862437385.db2.gz CBPFCPULUNACRP-INIZCTEOSA-N 1 0 387.549 3.592 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000506475021 853225879 /nfs/dbraw/zinc/22/58/79/853225879.db2.gz RMCXZLMHZRUJOQ-SJORKVTESA-N 1 0 388.943 3.737 20 30 GHEDRO Cc1nc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)oc1-c1ccc(Cl)cc1 ZINC000329942757 862443853 /nfs/dbraw/zinc/44/38/53/862443853.db2.gz VSPWKEGPDYPAGX-DYVFJYSZSA-N 1 0 388.899 3.886 20 30 GHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425824935 853262393 /nfs/dbraw/zinc/26/23/93/853262393.db2.gz SPGUBRQZGMASTG-QGZVFWFLSA-N 1 0 392.503 3.558 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000894873319 853290628 /nfs/dbraw/zinc/29/06/28/853290628.db2.gz KVSJIQUUEJMBFX-MRXNPFEDSA-N 1 0 375.472 3.523 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(C)([NH+](C)C)CC2)s1 ZINC000913389797 853295279 /nfs/dbraw/zinc/29/52/79/853295279.db2.gz LYMISBMBHVEYCT-UHFFFAOYSA-N 1 0 388.002 3.781 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000439192660 853396139 /nfs/dbraw/zinc/39/61/39/853396139.db2.gz PRCIMKBHNBXFFP-FQEVSTJZSA-N 1 0 398.551 3.622 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)[C@]1(C#N)CC3CCC1CC3)Cc1ccccc12 ZINC000913490749 853397419 /nfs/dbraw/zinc/39/74/19/853397419.db2.gz SMLFLGUQGHUWDO-IWRZYZMASA-N 1 0 377.532 3.712 20 30 GHEDRO O=C(NC1CCCCC1)N1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000329962739 862462386 /nfs/dbraw/zinc/46/23/86/862462386.db2.gz PKAUYANRTCWPBC-UHFFFAOYSA-N 1 0 399.514 3.812 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000519714493 853420116 /nfs/dbraw/zinc/42/01/16/853420116.db2.gz OIHSLQCJESIDOP-UXHICEINSA-N 1 0 396.583 3.951 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)OCC)CC1 ZINC000732748618 862468563 /nfs/dbraw/zinc/46/85/63/862468563.db2.gz LRWQDVSMZOMYPL-UHFFFAOYSA-N 1 0 376.522 3.506 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151445357 853437428 /nfs/dbraw/zinc/43/74/28/853437428.db2.gz LTLBCFQJJKVYCU-WMZOPIPTSA-N 1 0 396.350 3.605 20 30 GHEDRO Cc1ccc(C)c(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491181809 853470804 /nfs/dbraw/zinc/47/08/04/853470804.db2.gz GPIGCGCZFWZERR-UHFFFAOYSA-N 1 0 385.515 3.898 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000329968927 862467885 /nfs/dbraw/zinc/46/78/85/862467885.db2.gz WYUZHJDCTNSUPS-GBESFXJTSA-N 1 0 386.540 3.870 20 30 GHEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329975470 862472562 /nfs/dbraw/zinc/47/25/62/862472562.db2.gz DRMGQHLZVSEKCC-QGZVFWFLSA-N 1 0 386.475 3.777 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CC[C@]2(CCOC2)C1 ZINC000261948285 853535848 /nfs/dbraw/zinc/53/58/48/853535848.db2.gz GOGBCRDWXCLRPK-QFIPXVFZSA-N 1 0 398.482 3.591 20 30 GHEDRO CCc1ccc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)cc1 ZINC000586784711 853545799 /nfs/dbraw/zinc/54/57/99/853545799.db2.gz VJDRJSWATISLDE-DHIUTWEWSA-N 1 0 378.516 3.934 20 30 GHEDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nc(C3CC3)no2)c1 ZINC000329994527 862489673 /nfs/dbraw/zinc/48/96/73/862489673.db2.gz ZHLPYMAHEDHTHH-ROUUACIJSA-N 1 0 381.480 3.684 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000437989380 853727393 /nfs/dbraw/zinc/72/73/93/853727393.db2.gz SXUKXUGKIBJTBV-YLJYHZDGSA-N 1 0 391.943 3.585 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000481912158 862509562 /nfs/dbraw/zinc/50/95/62/862509562.db2.gz IOBCZRGMEBJVMW-ISKFKSNPSA-N 1 0 375.516 3.816 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000055388357 853902243 /nfs/dbraw/zinc/90/22/43/853902243.db2.gz APVVONYTIDNQCH-UHFFFAOYSA-N 1 0 393.535 3.591 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055406260 853906468 /nfs/dbraw/zinc/90/64/68/853906468.db2.gz YFJRIVJRVIOBRD-DLBZAZTESA-N 1 0 381.476 3.580 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000520169291 853912437 /nfs/dbraw/zinc/91/24/37/853912437.db2.gz ISAYDYCFZOTNHM-DEOSSOPVSA-N 1 0 381.479 3.822 20 30 GHEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000520208309 853959157 /nfs/dbraw/zinc/95/91/57/853959157.db2.gz FVRZDXZLWQLKSB-UHFFFAOYSA-N 1 0 388.533 3.572 20 30 GHEDRO C[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000520236318 853980685 /nfs/dbraw/zinc/98/06/85/853980685.db2.gz UBGMOFRDLFPNLR-INIZCTEOSA-N 1 0 390.487 3.596 20 30 GHEDRO COc1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000330032159 862520844 /nfs/dbraw/zinc/52/08/44/862520844.db2.gz UOAGLCZVSMDXET-UHFFFAOYSA-N 1 0 375.513 3.505 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441282685 854052567 /nfs/dbraw/zinc/05/25/67/854052567.db2.gz HXAJZSCBIBHIAU-FGTMMUONSA-N 1 0 387.549 3.625 20 30 GHEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481928822 862535636 /nfs/dbraw/zinc/53/56/36/862535636.db2.gz SFOHMMXFBOJSDW-VFNWGFHPSA-N 1 0 383.517 3.585 20 30 GHEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000441386004 854168392 /nfs/dbraw/zinc/16/83/92/854168392.db2.gz PAPDBIPVEXWQES-XMSQKQJNSA-N 1 0 387.487 3.730 20 30 GHEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc2)c1 ZINC000112542487 854246425 /nfs/dbraw/zinc/24/64/25/854246425.db2.gz QEDFRRWYGSIWHK-OALUTQOASA-N 1 0 379.504 3.985 20 30 GHEDRO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000894964121 854281049 /nfs/dbraw/zinc/28/10/49/854281049.db2.gz JWYXMCCOBXWJER-KRWDZBQOSA-N 1 0 381.480 3.806 20 30 GHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000328623024 854484450 /nfs/dbraw/zinc/48/44/50/854484450.db2.gz YOIXFKUIDLJIIG-AWEZNQCLSA-N 1 0 380.558 3.513 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623995356 862570865 /nfs/dbraw/zinc/57/08/65/862570865.db2.gz VUTBMDQIDNEHCO-DQLDELGASA-N 1 0 386.517 3.872 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)CSCC(=O)N3CCCCC3)CC2)CC1 ZINC000328658239 854492418 /nfs/dbraw/zinc/49/24/18/854492418.db2.gz QRHZJLXGZVQBOZ-UHFFFAOYSA-N 1 0 395.613 3.732 20 30 GHEDRO Cn1c(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)nc2cc(Cl)ccc21 ZINC000328719385 854502006 /nfs/dbraw/zinc/50/20/06/854502006.db2.gz VNZBRCDHGGCHSL-INIZCTEOSA-N 1 0 389.931 3.591 20 30 GHEDRO Cn1c(=O)[nH]c2ccc(C(=O)NC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)cc21 ZINC000328695566 854512873 /nfs/dbraw/zinc/51/28/73/854512873.db2.gz DCJUXAMSYKEQFU-RDTXWAMCSA-N 1 0 384.505 3.728 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328796910 854561103 /nfs/dbraw/zinc/56/11/03/854561103.db2.gz VFMLQQVTMHWJHV-FUHWJXTLSA-N 1 0 385.508 3.538 20 30 GHEDRO CS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000328849146 854575105 /nfs/dbraw/zinc/57/51/05/854575105.db2.gz BEYXXTURUVOGPC-FXAWDEMLSA-N 1 0 391.581 3.837 20 30 GHEDRO Cc1sc2ncnc(SCC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1C ZINC000328907236 854617182 /nfs/dbraw/zinc/61/71/82/854617182.db2.gz BYRHIIPAGVSXQU-KGLIPLIRSA-N 1 0 376.551 3.984 20 30 GHEDRO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000328959094 854633751 /nfs/dbraw/zinc/63/37/51/854633751.db2.gz OTZICSFYLODPBB-DBVUQKKJSA-N 1 0 376.472 3.503 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000056549775 854788672 /nfs/dbraw/zinc/78/86/72/854788672.db2.gz LAPSEFQTGMLPHT-GOSISDBHSA-N 1 0 382.464 3.899 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000589325037 854791194 /nfs/dbraw/zinc/79/11/94/854791194.db2.gz GRPPVWGTDNTKMU-VWNXMTODSA-N 1 0 386.499 3.720 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000331003341 854793957 /nfs/dbraw/zinc/79/39/57/854793957.db2.gz YCPNWYWKQOZCLU-HZPDHXFCSA-N 1 0 375.513 3.531 20 30 GHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000589320791 854808264 /nfs/dbraw/zinc/80/82/64/854808264.db2.gz WMKBACZBXFTITF-INIZCTEOSA-N 1 0 381.480 3.987 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)CSc2nc3ccccc3nc2N2CCCC2)CC[N@@H+]1C ZINC000330145563 862612604 /nfs/dbraw/zinc/61/26/04/862612604.db2.gz HKFPUAYHKCKOMF-CVEARBPZSA-N 1 0 399.564 3.761 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)NC1(C#N)CCCCC1 ZINC000331220313 854827644 /nfs/dbraw/zinc/82/76/44/854827644.db2.gz JHGYPMHFKWBFOR-RYUDHWBXSA-N 1 0 384.343 3.892 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)ccn1 ZINC000589364030 854829411 /nfs/dbraw/zinc/82/94/11/854829411.db2.gz BEIYGWXJRROCQD-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC(C[N@H+](C)C(C)C)CC3)c2c1 ZINC000553289886 854944661 /nfs/dbraw/zinc/94/46/61/854944661.db2.gz QXVJHIGQODJXJE-UHFFFAOYSA-N 1 0 382.508 3.680 20 30 GHEDRO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000330167278 862628747 /nfs/dbraw/zinc/62/87/47/862628747.db2.gz VRRILSWGKMYRQZ-IFMALSPDSA-N 1 0 385.552 3.922 20 30 GHEDRO Cc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c(C)c1 ZINC000553486413 855078428 /nfs/dbraw/zinc/07/84/28/855078428.db2.gz LCFHOGCASUDZER-SFHVURJKSA-N 1 0 387.487 3.992 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000106039112 855171871 /nfs/dbraw/zinc/17/18/71/855171871.db2.gz PNZPJMSAEOQAJJ-UHFFFAOYSA-N 1 0 383.517 3.771 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)CC1 ZINC000106275543 855204584 /nfs/dbraw/zinc/20/45/84/855204584.db2.gz XNCWVNZFSYRNAH-UHFFFAOYSA-N 1 0 385.552 3.897 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cc(Br)ccc2F)CC1 ZINC000106275496 855204815 /nfs/dbraw/zinc/20/48/15/855204815.db2.gz ZXGIJTGPPXGDEO-UHFFFAOYSA-N 1 0 398.320 3.770 20 30 GHEDRO CC1CCC([N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]2CCCO2)CC1 ZINC000441476942 855213396 /nfs/dbraw/zinc/21/33/96/855213396.db2.gz QHCHSTHJJYWTHA-SOAGJPPSSA-N 1 0 375.557 3.731 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000553675998 855229029 /nfs/dbraw/zinc/22/90/29/855229029.db2.gz ZNMSMRPQKDBYET-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000330199424 862657197 /nfs/dbraw/zinc/65/71/97/862657197.db2.gz VKNMRPYNKRHZHC-OAHLLOKOSA-N 1 0 397.972 3.928 20 30 GHEDRO Cc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1N1CCNC1=O ZINC000330201582 862658760 /nfs/dbraw/zinc/65/87/60/862658760.db2.gz XZPRWPQQKYHOCP-UHFFFAOYSA-N 1 0 399.539 3.852 20 30 GHEDRO O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000330214956 862667952 /nfs/dbraw/zinc/66/79/52/862667952.db2.gz GOKSDQROADLKSO-VQIMIIECSA-N 1 0 399.539 3.521 20 30 GHEDRO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000273420831 855362107 /nfs/dbraw/zinc/36/21/07/855362107.db2.gz JUTOPYAIOXYWSZ-IEBWSBKVSA-N 1 0 385.439 3.698 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000025867575 855366969 /nfs/dbraw/zinc/36/69/69/855366969.db2.gz JRQTWYOGVTVECF-KDOFPFPSSA-N 1 0 378.394 3.862 20 30 GHEDRO CC(C)Oc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000045640443 855460594 /nfs/dbraw/zinc/46/05/94/855460594.db2.gz OXTSWFCAFFSYOV-UHFFFAOYSA-N 1 0 394.519 3.619 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000465643998 855487845 /nfs/dbraw/zinc/48/78/45/855487845.db2.gz XVEBCBKLXJIDQA-FCHUYYIVSA-N 1 0 376.504 3.730 20 30 GHEDRO CC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[C@@H]1c1ccccc1 ZINC000330243013 862688211 /nfs/dbraw/zinc/68/82/11/862688211.db2.gz WPGWIGDXWCGOGI-MSYGRNIXSA-N 1 0 399.579 3.794 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000459105580 855527701 /nfs/dbraw/zinc/52/77/01/855527701.db2.gz CIMRAVIYRFTMLT-UTKZUKDTSA-N 1 0 394.494 3.892 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000590803638 855596268 /nfs/dbraw/zinc/59/62/68/855596268.db2.gz FVWZUNYSKGOQER-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000330261057 862703068 /nfs/dbraw/zinc/70/30/68/862703068.db2.gz TXVNYEFZZREZSK-RQXATKFSSA-N 1 0 385.552 3.747 20 30 GHEDRO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nc1 ZINC000591039584 855732157 /nfs/dbraw/zinc/73/21/57/855732157.db2.gz MOENWBHYXTZTIT-CQSZACIVSA-N 1 0 382.533 3.909 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301658307 855734398 /nfs/dbraw/zinc/73/43/98/855734398.db2.gz BRESISWRURJPDT-PMACEKPBSA-N 1 0 376.460 3.957 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301658310 855735364 /nfs/dbraw/zinc/73/53/64/855735364.db2.gz BRESISWRURJPDT-WOJBJXKFSA-N 1 0 376.460 3.957 20 30 GHEDRO CCc1nnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1CC ZINC000301735087 855750136 /nfs/dbraw/zinc/75/01/36/855750136.db2.gz ZOWGLTRUUVDVNQ-WMZHIEFXSA-N 1 0 389.547 3.964 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3ccc4cc(C#N)ccc4n3)cc2F)CC1 ZINC000301971734 855792206 /nfs/dbraw/zinc/79/22/06/855792206.db2.gz GNMVWELHTMXQRU-UHFFFAOYSA-N 1 0 389.478 4.000 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C[C@H](C)O1 ZINC000302004045 855800536 /nfs/dbraw/zinc/80/05/36/855800536.db2.gz YSMMHQJYPATDSV-GASCZTMLSA-N 1 0 381.442 3.903 20 30 GHEDRO COc1cccc([C@H]2[C@@H](Nc3ccc([N+](=O)[O-])cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000302018305 855801199 /nfs/dbraw/zinc/80/11/99/855801199.db2.gz CUUYQSBFKGQFNK-SFTDATJTSA-N 1 0 378.432 3.865 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000302150212 855822084 /nfs/dbraw/zinc/82/20/84/855822084.db2.gz BBUIRTZGMCSKIE-GJZGRUSLSA-N 1 0 381.442 3.903 20 30 GHEDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000302180224 855831384 /nfs/dbraw/zinc/83/13/84/855831384.db2.gz DUAMQMFLZBXEMG-OAHLLOKOSA-N 1 0 389.425 3.595 20 30 GHEDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000302180223 855831426 /nfs/dbraw/zinc/83/14/26/855831426.db2.gz DUAMQMFLZBXEMG-HNNXBMFYSA-N 1 0 389.425 3.595 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591282088 855883203 /nfs/dbraw/zinc/88/32/03/855883203.db2.gz FSFDKOHBHVFOOR-DYESRHJHSA-N 1 0 376.460 3.875 20 30 GHEDRO N#C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000591317360 855907370 /nfs/dbraw/zinc/90/73/70/855907370.db2.gz GDEDMMXUUBZHIB-IBGZPJMESA-N 1 0 398.304 3.578 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000302805381 855940472 /nfs/dbraw/zinc/94/04/72/855940472.db2.gz MFQKJEDWHWKGAQ-DLBZAZTESA-N 1 0 381.476 3.690 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000591362368 855951392 /nfs/dbraw/zinc/95/13/92/855951392.db2.gz HHYQOIMWFOZTID-UHFFFAOYSA-N 1 0 390.531 3.511 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCO[C@@H](c3ccc(OC)cc3)C1)CC2 ZINC001168651533 855983309 /nfs/dbraw/zinc/98/33/09/855983309.db2.gz WSOVYECMMBSDNI-BKULYWANSA-N 1 0 398.547 3.948 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000108722646 855993879 /nfs/dbraw/zinc/99/38/79/855993879.db2.gz WEYBVTYNTSMGHJ-HNNXBMFYSA-N 1 0 396.447 3.887 20 30 GHEDRO CCOc1ccccc1NC(=O)[C@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800376 856047268 /nfs/dbraw/zinc/04/72/68/856047268.db2.gz AKCCHGLMKQGYSO-KRWDZBQOSA-N 1 0 393.487 3.827 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H](C#N)CC2)C[C@H]1C(F)(F)F ZINC001168562505 856063333 /nfs/dbraw/zinc/06/33/33/856063333.db2.gz ZCGKXFFGHPRAPW-KKUMJFAQSA-N 1 0 375.435 3.942 20 30 GHEDRO O=C(N1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1)C(F)(F)C(F)(F)F ZINC001273128940 862755496 /nfs/dbraw/zinc/75/54/96/862755496.db2.gz DCKMTAGSRCHSHN-PHIMTYICSA-N 1 0 396.322 3.697 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000441737077 856124668 /nfs/dbraw/zinc/12/46/68/856124668.db2.gz HQGLQSOYODYDNF-UHFFFAOYSA-N 1 0 399.539 3.932 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4cccc(C#N)c4)C3)nc2c1 ZINC000536472212 856167746 /nfs/dbraw/zinc/16/77/46/856167746.db2.gz NHYLZKCRVMZKDI-FUHWJXTLSA-N 1 0 387.487 3.950 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[NH+](C)C)cc1 ZINC000109290039 856269806 /nfs/dbraw/zinc/26/98/06/856269806.db2.gz YPEJTRSMWNNFSZ-IFMALSPDSA-N 1 0 379.504 3.689 20 30 GHEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485286428 856308245 /nfs/dbraw/zinc/30/82/45/856308245.db2.gz LXCZUGGRXDWLTJ-VXKWHMMOSA-N 1 0 375.472 3.729 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(n3ccnc3)CC2)c1C#N ZINC000109796678 856373371 /nfs/dbraw/zinc/37/33/71/856373371.db2.gz PUBKRXWSRJKWCI-UHFFFAOYSA-N 1 0 394.523 3.564 20 30 GHEDRO COc1ccc([C@@H]2C[C@@H]([NH+]3CCN(c4cccc(C#N)c4)CC3)CCO2)cc1 ZINC001168670338 856398749 /nfs/dbraw/zinc/39/87/49/856398749.db2.gz JNANBDZWOHVWAS-GMAHTHKFSA-N 1 0 377.488 3.609 20 30 GHEDRO O[C@@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)COCc1ccc(Cl)cc1 ZINC000573712750 856450141 /nfs/dbraw/zinc/45/01/41/856450141.db2.gz JMCJZERNYLITFW-IBGZPJMESA-N 1 0 397.824 3.878 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000624842653 856458061 /nfs/dbraw/zinc/45/80/61/856458061.db2.gz XPUQWLNFILRQAG-ANTGDGSKSA-N 1 0 395.551 3.803 20 30 GHEDRO Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000905797864 856599692 /nfs/dbraw/zinc/59/96/92/856599692.db2.gz OISFWFYDIUPXMJ-UHFFFAOYSA-N 1 0 389.459 3.884 20 30 GHEDRO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000467265126 856654446 /nfs/dbraw/zinc/65/44/46/856654446.db2.gz TUCJGWAGMFFOAB-ROUUACIJSA-N 1 0 375.488 3.599 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)cc1 ZINC000592178026 856679950 /nfs/dbraw/zinc/67/99/50/856679950.db2.gz UQUNEBRAVREZDK-QFIPXVFZSA-N 1 0 375.472 3.546 20 30 GHEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Sc1ccccc1 ZINC000173315162 856849313 /nfs/dbraw/zinc/84/93/13/856849313.db2.gz OGUHUEVMQARKCQ-SFHVURJKSA-N 1 0 396.560 3.812 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCCCC)c(OC)c2)CC1 ZINC000592498071 856901759 /nfs/dbraw/zinc/90/17/59/856901759.db2.gz AJCKOIOTAJTPOS-QGZVFWFLSA-N 1 0 389.540 3.885 20 30 GHEDRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592522932 856919035 /nfs/dbraw/zinc/91/90/35/856919035.db2.gz IKDVJBCOWZTEPF-XMMPIXPASA-N 1 0 386.499 3.757 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000173569405 856996909 /nfs/dbraw/zinc/99/69/09/856996909.db2.gz CCKPTQJYPUEVKN-OAQYLSRUSA-N 1 0 391.515 3.941 20 30 GHEDRO N#Cc1cnc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c(Cl)c1 ZINC000428025940 857033293 /nfs/dbraw/zinc/03/32/93/857033293.db2.gz WOQFMOOCBJMTLI-UHFFFAOYSA-N 1 0 382.895 3.913 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181407844 862865845 /nfs/dbraw/zinc/86/58/45/862865845.db2.gz UBDGNGWKFIDPEU-PGRDOPGGSA-N 1 0 394.515 3.632 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)ccc1OC ZINC000733330353 862872342 /nfs/dbraw/zinc/87/23/42/862872342.db2.gz UYJZBCBPHUKXGQ-HXUWFJFHSA-N 1 0 376.460 3.852 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCc3ccc(C#N)cc3)c2)CC1 ZINC000076424082 857124507 /nfs/dbraw/zinc/12/45/07/857124507.db2.gz NYYLZCMYHJUXGT-UHFFFAOYSA-N 1 0 376.504 3.790 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)CCc1ccc(Br)cc1 ZINC000112563291 857150950 /nfs/dbraw/zinc/15/09/50/857150950.db2.gz QLWMBICBAJWFLO-UHFFFAOYSA-N 1 0 386.293 3.824 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000173858816 857169195 /nfs/dbraw/zinc/16/91/95/857169195.db2.gz FYHUJDCAMHJASY-CABCVRRESA-N 1 0 383.423 3.540 20 30 GHEDRO CC(C)(C#N)c1ccccc1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000593067785 857183437 /nfs/dbraw/zinc/18/34/37/857183437.db2.gz MCZMDYMWMHXBNJ-DNQXCXABSA-N 1 0 389.543 3.963 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3c(C#N)cccc3[N+](=O)[O-])C2)s1 ZINC000593031534 857186404 /nfs/dbraw/zinc/18/64/04/857186404.db2.gz ZTHQYNWBFMDQTA-MRXNPFEDSA-N 1 0 384.505 3.790 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000174138611 857215128 /nfs/dbraw/zinc/21/51/28/857215128.db2.gz OWSIMQBIZKRMSV-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO CC[N@H+](CCOc1ccc(C#N)cc1OC)CC1CCN(c2ccccn2)CC1 ZINC000174392833 857285096 /nfs/dbraw/zinc/28/50/96/857285096.db2.gz PWLMXPXMVFNJAR-UHFFFAOYSA-N 1 0 394.519 3.579 20 30 GHEDRO CCOCc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000438860771 857290790 /nfs/dbraw/zinc/29/07/90/857290790.db2.gz GPPCBXYDXFCHGI-UHFFFAOYSA-N 1 0 380.492 3.690 20 30 GHEDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000593084980 857318928 /nfs/dbraw/zinc/31/89/28/857318928.db2.gz VDZDMUVKNBVHFW-FCHUYYIVSA-N 1 0 394.515 3.598 20 30 GHEDRO COC(=O)c1ccc(C(=NO)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168012117 857339863 /nfs/dbraw/zinc/33/98/63/857339863.db2.gz WKBJRYCPWFTSCK-UPHUGPLXSA-N 1 0 395.503 3.640 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000246587626 857412389 /nfs/dbraw/zinc/41/23/89/857412389.db2.gz WNTWKNZSLWUSAZ-WZONZLPQSA-N 1 0 391.515 3.794 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000246641912 857420820 /nfs/dbraw/zinc/42/08/20/857420820.db2.gz KVKQHIATOKARJE-NZQKXSOJSA-N 1 0 389.499 3.694 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(Cl)cc1 ZINC000042994993 857471864 /nfs/dbraw/zinc/47/18/64/857471864.db2.gz QSUPCJIPJQRYGA-UHFFFAOYSA-N 1 0 384.911 3.528 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000282228776 857473705 /nfs/dbraw/zinc/47/37/05/857473705.db2.gz JGAFBVXOQRFNRH-WOJBJXKFSA-N 1 0 394.567 3.541 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000574248808 857500539 /nfs/dbraw/zinc/50/05/39/857500539.db2.gz FRRAIPHGIVVAKN-FXAWDEMLSA-N 1 0 378.524 3.559 20 30 GHEDRO N#CC1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000593430642 857587143 /nfs/dbraw/zinc/58/71/43/857587143.db2.gz QGOFMOICRYPPRC-NHCUHLMSSA-N 1 0 380.536 3.766 20 30 GHEDRO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2cnc3c(C#N)cnn3c2)C(C)(C)O1 ZINC000592507836 857628268 /nfs/dbraw/zinc/62/82/68/857628268.db2.gz CKZYSXFRCJCWOQ-FQEVSTJZSA-N 1 0 389.503 3.949 20 30 GHEDRO CC[C@@H](C#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000593578246 857630433 /nfs/dbraw/zinc/63/04/33/857630433.db2.gz QJUIOPJVUKBRAZ-FQEVSTJZSA-N 1 0 376.504 3.540 20 30 GHEDRO CC[C@H](C#N)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000593723018 857667147 /nfs/dbraw/zinc/66/71/47/857667147.db2.gz WXPYVEQMOHKHTR-YADHBBJMSA-N 1 0 376.504 3.625 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000592523499 857670492 /nfs/dbraw/zinc/67/04/92/857670492.db2.gz MUCRYCCJZSMPNS-GOSISDBHSA-N 1 0 387.405 3.715 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593693115 857676626 /nfs/dbraw/zinc/67/66/26/857676626.db2.gz POWNNZWETQMLDB-UHFFFAOYSA-N 1 0 388.515 3.995 20 30 GHEDRO C[C@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521187572 857724922 /nfs/dbraw/zinc/72/49/22/857724922.db2.gz RJWZSGAAFVSNJW-CQSZACIVSA-N 1 0 375.394 3.886 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000499616985 857802655 /nfs/dbraw/zinc/80/26/55/857802655.db2.gz KRJJSSXYHMPOHB-QHCPKHFHSA-N 1 0 391.515 3.656 20 30 GHEDRO N#C[C@]1(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC2CCC1CC2 ZINC000907871453 857832482 /nfs/dbraw/zinc/83/24/82/857832482.db2.gz HKOLCASLHKLQGX-PHHWNDOISA-N 1 0 383.458 3.628 20 30 GHEDRO C[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521372454 857925145 /nfs/dbraw/zinc/92/51/45/857925145.db2.gz QLNGJUYOGASELW-IBGZPJMESA-N 1 0 375.516 3.860 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000066187083 857994684 /nfs/dbraw/zinc/99/46/84/857994684.db2.gz AUZYMKOOKSVUQM-NRFANRHFSA-N 1 0 382.483 3.920 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](COc2ccccc2)c2ccccc2)CC1 ZINC000594301860 858034454 /nfs/dbraw/zinc/03/44/54/858034454.db2.gz FJYGUJKZZIZNBA-QFIPXVFZSA-N 1 0 379.504 3.756 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000574751670 858158977 /nfs/dbraw/zinc/15/89/77/858158977.db2.gz CMDPRPOLEMRWMI-KSSFIOAISA-N 1 0 393.915 3.526 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000594429260 858174131 /nfs/dbraw/zinc/17/41/31/858174131.db2.gz RPFZNJXLRSFTAJ-SFHVURJKSA-N 1 0 390.915 3.752 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000594432505 858176139 /nfs/dbraw/zinc/17/61/39/858176139.db2.gz BUBJHLZNCWQWTC-GOSISDBHSA-N 1 0 398.334 3.912 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000594432506 858176306 /nfs/dbraw/zinc/17/63/06/858176306.db2.gz BUBJHLZNCWQWTC-SFHVURJKSA-N 1 0 398.334 3.912 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000594434881 858176568 /nfs/dbraw/zinc/17/65/68/858176568.db2.gz VIWWBLFUVCZAPT-UNMCSNQZSA-N 1 0 377.488 3.628 20 30 GHEDRO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000594434571 858177540 /nfs/dbraw/zinc/17/75/40/858177540.db2.gz PIYIJVNKYYAZTD-CABCVRRESA-N 1 0 396.354 3.856 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517667 858206646 /nfs/dbraw/zinc/20/66/46/858206646.db2.gz ZZQCUZHPHMVDCF-OAHLLOKOSA-N 1 0 378.432 3.853 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@H](C[C@H]3CCCO3)C(F)(F)F)CC2)cc1 ZINC000594519782 858207585 /nfs/dbraw/zinc/20/75/85/858207585.db2.gz LLHYDZPDZIETPH-RTBURBONSA-N 1 0 381.442 3.612 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1C ZINC000594758213 858274105 /nfs/dbraw/zinc/27/41/05/858274105.db2.gz IOKBEYIBGZVAOP-CZUORRHYSA-N 1 0 391.562 3.575 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1C ZINC000594758203 858274250 /nfs/dbraw/zinc/27/42/50/858274250.db2.gz IOKBEYIBGZVAOP-BBRMVZONSA-N 1 0 391.562 3.575 20 30 GHEDRO N#CC1(c2ccc(CNc3ccc(C[N@H+]4CCC[C@H](C(N)=O)C4)cc3)cc2)CC1 ZINC000594932574 858304246 /nfs/dbraw/zinc/30/42/46/858304246.db2.gz AOTGFITWRBKUNS-FQEVSTJZSA-N 1 0 388.515 3.551 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000574813491 858325505 /nfs/dbraw/zinc/32/55/05/858325505.db2.gz NLVXRQRHGKYFAY-XZOQPEGZSA-N 1 0 384.483 3.588 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)cc2)CC1 ZINC000594937401 858339889 /nfs/dbraw/zinc/33/98/89/858339889.db2.gz IMWMLHVMBXHCQX-OAQYLSRUSA-N 1 0 395.453 3.801 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCCO3)cc2)CC1 ZINC000594940177 858340924 /nfs/dbraw/zinc/34/09/24/858340924.db2.gz WPVGCPIFFWYTNM-QHCPKHFHSA-N 1 0 375.516 3.622 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H](CO)Cc3ccccc3Br)cc2)CC1 ZINC000594940187 858341013 /nfs/dbraw/zinc/34/10/13/858341013.db2.gz WUDRIXAWMIIMEE-QGZVFWFLSA-N 1 0 399.332 3.945 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)cc1OCCCC#N ZINC000594999512 858361887 /nfs/dbraw/zinc/36/18/87/858361887.db2.gz AQWCKTJIXDOONP-UHFFFAOYSA-N 1 0 390.386 3.989 20 30 GHEDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3(C#N)CCCCC3)c2C1 ZINC000595188544 858432974 /nfs/dbraw/zinc/43/29/74/858432974.db2.gz QRVIVDZVCPDNFC-KRWDZBQOSA-N 1 0 396.535 3.575 20 30 GHEDRO N#Cc1ccccc1OCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000521913247 858441433 /nfs/dbraw/zinc/44/14/33/858441433.db2.gz LYPBAORDPBXTBF-UHFFFAOYSA-N 1 0 397.906 3.715 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)Cc3ccccc3CC#N)CC[N@@H+]2C)cc1 ZINC000761103758 858441527 /nfs/dbraw/zinc/44/15/27/858441527.db2.gz AAROHMKMYOAKIF-NFBKMPQASA-N 1 0 378.472 3.540 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000595271314 858458809 /nfs/dbraw/zinc/45/88/09/858458809.db2.gz PGWTWHHFHYHRTB-UHFFFAOYSA-N 1 0 380.467 3.681 20 30 GHEDRO COc1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1OC(F)F ZINC000574944389 858492378 /nfs/dbraw/zinc/49/23/78/858492378.db2.gz NBUKBQTWRNXDFD-UHFFFAOYSA-N 1 0 376.403 3.817 20 30 GHEDRO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000595510447 858549139 /nfs/dbraw/zinc/54/91/39/858549139.db2.gz BESKLOHJNQCVNF-UHFFFAOYSA-N 1 0 377.532 3.798 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000522067872 858573663 /nfs/dbraw/zinc/57/36/63/858573663.db2.gz WEXVCFROVXOETF-OAQYLSRUSA-N 1 0 379.504 3.888 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000522073298 858593235 /nfs/dbraw/zinc/59/32/35/858593235.db2.gz CXIQQZVKWURDTN-MOPGFXCFSA-N 1 0 376.504 3.723 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000281445296 863042511 /nfs/dbraw/zinc/04/25/11/863042511.db2.gz FPSIGXZBODILLG-PDGJWGCVSA-N 1 0 385.552 3.662 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595639957 858624351 /nfs/dbraw/zinc/62/43/51/858624351.db2.gz FWGACWPTVSKWQJ-TYPHKJRUSA-N 1 0 380.536 3.670 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+]C2(C3CCC3)CC2)c1C#N ZINC000593085870 858624936 /nfs/dbraw/zinc/62/49/36/858624936.db2.gz YHTFARFHXJYAIZ-UHFFFAOYSA-N 1 0 380.492 3.869 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@@H](C4CCC4)C3)CC2)c1 ZINC000595654829 858639206 /nfs/dbraw/zinc/63/92/06/858639206.db2.gz YXPXNEIYUBHICP-OAQYLSRUSA-N 1 0 380.536 3.744 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)CN2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000595659286 858641229 /nfs/dbraw/zinc/64/12/29/858641229.db2.gz ZXJTWMYFDPTOAA-INIZCTEOSA-N 1 0 391.298 3.857 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000595671346 858643340 /nfs/dbraw/zinc/64/33/40/858643340.db2.gz QTKBQYZWBPDZRY-OAQYLSRUSA-N 1 0 383.879 3.532 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@@H](C)CO ZINC000595674619 858645250 /nfs/dbraw/zinc/64/52/50/858645250.db2.gz MHNKZOUCEORKGB-LZLYRXPVSA-N 1 0 375.538 3.502 20 30 GHEDRO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000595717338 858656479 /nfs/dbraw/zinc/65/64/79/858656479.db2.gz MROJAWNXKPYLBA-UHFFFAOYSA-N 1 0 396.491 3.942 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000593112699 858658327 /nfs/dbraw/zinc/65/83/27/858658327.db2.gz SVJVRQRMUWBRRC-KRWDZBQOSA-N 1 0 376.378 3.596 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4ccon4)CC3)sc2C1 ZINC000595828345 858700426 /nfs/dbraw/zinc/70/04/26/858700426.db2.gz KVLCHRDNWUTPEH-AWEZNQCLSA-N 1 0 398.532 3.941 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](O)C23CCCC3)c2cccs2)CC1 ZINC000330355964 863063246 /nfs/dbraw/zinc/06/32/46/863063246.db2.gz RCYDWTXWUCEARS-MJGOQNOKSA-N 1 0 391.581 3.815 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(c3snc(Cl)c3C#N)C2)ccn1 ZINC000856535688 881347484 /nfs/dbraw/zinc/34/74/84/881347484.db2.gz FIKHLSWKHROQGV-OAHLLOKOSA-N 1 0 391.928 3.561 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccccc2F)cc1 ZINC000429261092 858855019 /nfs/dbraw/zinc/85/50/19/858855019.db2.gz PDUZPSBEAGQNEQ-UHFFFAOYSA-N 1 0 383.467 3.996 20 30 GHEDRO CCCCn1ncc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593172864 858874156 /nfs/dbraw/zinc/87/41/56/858874156.db2.gz MGEUYWRKMDXWSW-UHFFFAOYSA-N 1 0 394.523 3.649 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000134351976 858921318 /nfs/dbraw/zinc/92/13/18/858921318.db2.gz SJEPQSWGVQOKMD-UHFFFAOYSA-N 1 0 392.434 3.556 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000596674013 858990939 /nfs/dbraw/zinc/99/09/39/858990939.db2.gz WAZUWCKAQCNORM-UHFFFAOYSA-N 1 0 382.552 3.644 20 30 GHEDRO C[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO[C@H]1C1CC1 ZINC000543239476 859002883 /nfs/dbraw/zinc/00/28/83/859002883.db2.gz OHGHTSQIHMBWAW-PZJWPPBQSA-N 1 0 387.549 3.764 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000499694690 859010717 /nfs/dbraw/zinc/01/07/17/859010717.db2.gz QYMULWLEFMYWSA-IBGZPJMESA-N 1 0 381.476 3.725 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000625857469 859031016 /nfs/dbraw/zinc/03/10/16/859031016.db2.gz NJPGBEYSUIRBHS-PSASIEDQSA-N 1 0 387.299 3.836 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cc(F)cc(F)c3F)CC2)c1 ZINC000593219831 859048502 /nfs/dbraw/zinc/04/85/02/859048502.db2.gz ZSRLSMHIKGOSKW-UHFFFAOYSA-N 1 0 388.393 3.762 20 30 GHEDRO CC(C)[C@H](CO)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000121127192 859059576 /nfs/dbraw/zinc/05/95/76/859059576.db2.gz VRUXSINXPGAWIK-FQEVSTJZSA-N 1 0 385.895 3.669 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000483032596 859080073 /nfs/dbraw/zinc/08/00/73/859080073.db2.gz ZWXRJOTWGIBJJV-DENIHFKCSA-N 1 0 397.563 3.533 20 30 GHEDRO C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N(C)Cc1ccc(Br)cc1 ZINC000160668968 859100788 /nfs/dbraw/zinc/10/07/88/859100788.db2.gz WAABMNBYLGLWRC-GFCCVEGCSA-N 1 0 393.329 3.865 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249277666 859127653 /nfs/dbraw/zinc/12/76/53/859127653.db2.gz NEBCNAJXHSUZMO-PGRDOPGGSA-N 1 0 377.463 3.824 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000466334115 859134168 /nfs/dbraw/zinc/13/41/68/859134168.db2.gz GHEVQCQITAPWBE-UHFFFAOYSA-N 1 0 379.508 3.518 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1(C#N)CCCCC1 ZINC000596866541 859144642 /nfs/dbraw/zinc/14/46/42/859144642.db2.gz NQCVTAYOOFMZAF-FQEVSTJZSA-N 1 0 383.540 3.552 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1C#N ZINC000596903839 859159386 /nfs/dbraw/zinc/15/93/86/859159386.db2.gz GDNOSWCWADGKMU-QGZVFWFLSA-N 1 0 395.532 3.747 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000470674574 859176737 /nfs/dbraw/zinc/17/67/37/859176737.db2.gz VOUHXRJACSJZKC-UHFFFAOYSA-N 1 0 379.504 3.941 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCN(c4ncnc5sccc54)CC3)cc2)CC1 ZINC000596983161 859211836 /nfs/dbraw/zinc/21/18/36/859211836.db2.gz OXWTUKZHNGQFJJ-UHFFFAOYSA-N 1 0 375.501 3.569 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429386554 859218788 /nfs/dbraw/zinc/21/87/88/859218788.db2.gz QBNOHSHNVAANJZ-MJGOQNOKSA-N 1 0 392.341 3.717 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596993610 859233203 /nfs/dbraw/zinc/23/32/03/859233203.db2.gz RVAPBBSJVXEUBL-UHFFFAOYSA-N 1 0 393.494 3.984 20 30 GHEDRO N#Cc1ccccc1OCC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483258031 859253235 /nfs/dbraw/zinc/25/32/35/859253235.db2.gz XEUVXKTYMYZCNJ-INIZCTEOSA-N 1 0 384.785 3.932 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000597083884 859274158 /nfs/dbraw/zinc/27/41/58/859274158.db2.gz OFLUCQPPTGWSFA-FQEVSTJZSA-N 1 0 392.503 3.657 20 30 GHEDRO Cc1ccc(C[C@H]([NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2ccccn2)cc1 ZINC000522384750 859306464 /nfs/dbraw/zinc/30/64/64/859306464.db2.gz QISYIZRIRFEKCF-AVCGJXAMSA-N 1 0 378.520 3.706 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c(-c2ccncc2)n1 ZINC000597225102 859376816 /nfs/dbraw/zinc/37/68/16/859376816.db2.gz ODVAQJJZMQDIBZ-NRFANRHFSA-N 1 0 379.508 3.640 20 30 GHEDRO C=CCCn1cc(C[N@H+]2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)nn1 ZINC000626041103 859400201 /nfs/dbraw/zinc/40/02/01/859400201.db2.gz QPMJQWAVPHJPSO-ZBFHGGJFSA-N 1 0 375.314 3.995 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764361125 859413000 /nfs/dbraw/zinc/41/30/00/859413000.db2.gz KUCNKBNPUYITEG-ACRUOGEOSA-N 1 0 380.621 3.650 20 30 GHEDRO CC[NH+](CC)CCO[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000474166474 859474970 /nfs/dbraw/zinc/47/49/70/859474970.db2.gz AUGJBPOQSQMUNF-HNNXBMFYSA-N 1 0 390.890 3.836 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000483612411 859487221 /nfs/dbraw/zinc/48/72/21/859487221.db2.gz IACYYGRXHFDPGU-SFHVURJKSA-N 1 0 395.503 3.601 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3CC(c4ccccc4)C3)CC2)c1 ZINC000593343392 859499806 /nfs/dbraw/zinc/49/98/06/859499806.db2.gz HMSMOCACZCWZAL-UHFFFAOYSA-N 1 0 388.515 3.768 20 30 GHEDRO CC(C)(C)Oc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1 ZINC000593347123 859516295 /nfs/dbraw/zinc/51/62/95/859516295.db2.gz DPXAURVSORLVAQ-UHFFFAOYSA-N 1 0 392.503 3.525 20 30 GHEDRO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC[N@@H+](C2CCC2)C1 ZINC000597425038 859526399 /nfs/dbraw/zinc/52/63/99/859526399.db2.gz AFHWILGVZOKMHB-KRWDZBQOSA-N 1 0 390.535 3.537 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCc3cc(F)ccc3F)CC2)c1 ZINC000593351566 859528797 /nfs/dbraw/zinc/52/87/97/859528797.db2.gz MEZCSTSZIQBZKR-UHFFFAOYSA-N 1 0 397.469 3.940 20 30 GHEDRO Cc1nc2ccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2s1 ZINC000593351565 859528964 /nfs/dbraw/zinc/52/89/64/859528964.db2.gz MEYQKUTVCLWXIB-UHFFFAOYSA-N 1 0 390.512 3.871 20 30 GHEDRO COC(=O)C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(O)cc1 ZINC001170365485 881432022 /nfs/dbraw/zinc/43/20/22/881432022.db2.gz ZVNMJKLKCKTZNE-SWCONJRYSA-N 1 0 378.472 3.990 20 30 GHEDRO COc1ccc(C(C)(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593355446 859544214 /nfs/dbraw/zinc/54/42/14/859544214.db2.gz XJDHHOWIAPEXNY-UHFFFAOYSA-N 1 0 391.515 3.625 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)c1 ZINC000593354255 859552794 /nfs/dbraw/zinc/55/27/94/859552794.db2.gz NLJNQBGWTRGRFV-RTBURBONSA-N 1 0 395.453 3.721 20 30 GHEDRO N#CC1(c2ccccc2)CCC(n2cc(Br)ccc2=NCC[NH3+])CC1 ZINC001170371909 881437230 /nfs/dbraw/zinc/43/72/30/881437230.db2.gz NKMILVPZIOATAI-UHFFFAOYSA-N 1 0 399.336 3.687 20 30 GHEDRO C[C@@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355371 859560177 /nfs/dbraw/zinc/56/01/77/859560177.db2.gz OOFRPTQJCQTABW-KRWDZBQOSA-N 1 0 379.479 3.657 20 30 GHEDRO C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593358591 859561041 /nfs/dbraw/zinc/56/10/41/859561041.db2.gz JDIHCQIQCLUNIF-LADGPHEKSA-N 1 0 388.515 3.552 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000665394315 859575403 /nfs/dbraw/zinc/57/54/03/859575403.db2.gz JHIDUVNQBBKTGO-UGKGYDQZSA-N 1 0 384.568 3.865 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000665394314 859575676 /nfs/dbraw/zinc/57/56/76/859575676.db2.gz JHIDUVNQBBKTGO-SIKLNZKXSA-N 1 0 384.568 3.865 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C#N)[nH]1 ZINC000161095456 859582904 /nfs/dbraw/zinc/58/29/04/859582904.db2.gz PWHMGTYMIPGSSK-UHFFFAOYSA-N 1 0 379.291 3.787 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C#N ZINC000611126917 859614858 /nfs/dbraw/zinc/61/48/58/859614858.db2.gz OTVOPXXPYRMGFD-INIZCTEOSA-N 1 0 375.428 3.866 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474230978 859652789 /nfs/dbraw/zinc/65/27/89/859652789.db2.gz UNVRDPQZLAYGOT-FQEVSTJZSA-N 1 0 396.922 3.747 20 30 GHEDRO COC(=O)c1cnc(CC2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)s1 ZINC000895563465 859659196 /nfs/dbraw/zinc/65/91/96/859659196.db2.gz HLSAAYFDMZSMKD-HNNXBMFYSA-N 1 0 399.516 3.675 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000611284839 859682620 /nfs/dbraw/zinc/68/26/20/859682620.db2.gz DDBZEUDBVHTWBU-HSZRJFAPSA-N 1 0 388.515 3.804 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000764992709 859720495 /nfs/dbraw/zinc/72/04/95/859720495.db2.gz YCOBGSZUXGAMJD-SFHVURJKSA-N 1 0 383.565 3.702 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC(F)(F)c3ccccc3)CC2)c1 ZINC000593396352 859725471 /nfs/dbraw/zinc/72/54/71/859725471.db2.gz LACRVZBIFBPNEL-UHFFFAOYSA-N 1 0 398.457 3.614 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000611360157 859727031 /nfs/dbraw/zinc/72/70/31/859727031.db2.gz KQJVIUZJVWUZIG-UHFFFAOYSA-N 1 0 376.504 3.756 20 30 GHEDRO C[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)c1cccc(C#N)c1 ZINC000611386267 859730747 /nfs/dbraw/zinc/73/07/47/859730747.db2.gz GYJCNQGQHBMKEI-ZDUSSCGKSA-N 1 0 377.517 3.917 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cn2)C[C@H](C)O1 ZINC000611390809 859734037 /nfs/dbraw/zinc/73/40/37/859734037.db2.gz STUHMACMQUHDAU-JKSBSHDWSA-N 1 0 376.504 3.734 20 30 GHEDRO CN1CCN([C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c2cccs2)CC1 ZINC000611390350 859740322 /nfs/dbraw/zinc/74/03/22/859740322.db2.gz UOJHKHBQHCKDSW-SFTDATJTSA-N 1 0 380.561 3.575 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(CCO)CCCCC2)ccc1Cl ZINC000474287621 859758059 /nfs/dbraw/zinc/75/80/59/859758059.db2.gz IKRNJIJXHMNWDC-UHFFFAOYSA-N 1 0 377.916 3.570 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000611503180 859788060 /nfs/dbraw/zinc/78/80/60/859788060.db2.gz PRNKULKRVFRKKR-YLJYHZDGSA-N 1 0 386.540 3.513 20 30 GHEDRO COC(=O)CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000611518080 859797170 /nfs/dbraw/zinc/79/71/70/859797170.db2.gz PCUCPEKUIYHEGY-UHFFFAOYSA-N 1 0 388.471 3.524 20 30 GHEDRO CCO/C=C/[C@](O)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000895706281 859835402 /nfs/dbraw/zinc/83/54/02/859835402.db2.gz AZIWZONQGNZPPJ-SDIVKGMOSA-N 1 0 382.426 3.824 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508908917 859867026 /nfs/dbraw/zinc/86/70/26/859867026.db2.gz WRNDFFYCMOWVLM-APWZRJJASA-N 1 0 387.503 3.520 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3C[C@H](O)CC4(CCOCC4)C3)c2)c1 ZINC000895721622 859870542 /nfs/dbraw/zinc/87/05/42/859870542.db2.gz DLVSDYMUKWEJAR-JOCHJYFZSA-N 1 0 392.499 3.501 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000597859227 859875903 /nfs/dbraw/zinc/87/59/03/859875903.db2.gz BRDNQPKUKQGZQN-KRWDZBQOSA-N 1 0 378.476 3.596 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123333673 859928455 /nfs/dbraw/zinc/92/84/55/859928455.db2.gz YWDRTOBLRGBIMM-OALUTQOASA-N 1 0 387.531 3.974 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1Cl ZINC000170971500 859953777 /nfs/dbraw/zinc/95/37/77/859953777.db2.gz ZBKHQHLQQIJRMV-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c([N+](=O)[O-])c1 ZINC001170351404 881484773 /nfs/dbraw/zinc/48/47/73/881484773.db2.gz GCOIFXQHUYJKCY-OXJNMPFZSA-N 1 0 395.459 3.949 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)C(C2CC2)C2CC2)c1=S ZINC000727166035 859980067 /nfs/dbraw/zinc/98/00/67/859980067.db2.gz QDGGHBBUOMWFDX-UHFFFAOYSA-N 1 0 389.613 3.706 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c([N+](=O)[O-])c1 ZINC001170351419 881485787 /nfs/dbraw/zinc/48/57/87/881485787.db2.gz GCOIFXQHUYJKCY-UZLBHIALSA-N 1 0 395.459 3.949 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H]3c3cccc(F)c3)CC2)c1 ZINC000593511892 860075607 /nfs/dbraw/zinc/07/56/07/860075607.db2.gz FLBWEVNVWTUOKP-QFIPXVFZSA-N 1 0 392.478 3.818 20 30 GHEDRO CC[C@@H](c1ccncc1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513128 860082988 /nfs/dbraw/zinc/08/29/88/860082988.db2.gz XLTZWWBQXJNZLO-QFIPXVFZSA-N 1 0 391.519 3.710 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCCC[C@H]3C3CCC3)CC2)c1 ZINC000593515093 860095480 /nfs/dbraw/zinc/09/54/80/860095480.db2.gz HNMORUNSEIULES-QFIPXVFZSA-N 1 0 380.536 3.887 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CC1(C#N)CCOCC1 ZINC000598148808 860098574 /nfs/dbraw/zinc/09/85/74/860098574.db2.gz MPJOTGJEFDTVBS-UHFFFAOYSA-N 1 0 391.943 3.721 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(CCCOc3cccc4ccccc43)no1)C2 ZINC000904104345 860128208 /nfs/dbraw/zinc/12/82/08/860128208.db2.gz OWSIMKVUCUYFTG-OTQYULQBSA-N 1 0 388.471 3.841 20 30 GHEDRO COC1(OC)CC2(C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)[C@@H]2C(C)C)C1 ZINC000895989420 860206742 /nfs/dbraw/zinc/20/67/42/860206742.db2.gz LKCZHWWJWUVVJN-OAQYLSRUSA-N 1 0 394.519 3.568 20 30 GHEDRO C=CC[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)CC1CCCCC1 ZINC000484663906 860211891 /nfs/dbraw/zinc/21/18/91/860211891.db2.gz NITFDJFADSDEGU-UHFFFAOYSA-N 1 0 380.536 3.599 20 30 GHEDRO C[NH+](C)C[C@H](NCc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000602730279 860240734 /nfs/dbraw/zinc/24/07/34/860240734.db2.gz ZRRPADPQJVWNTB-SFHVURJKSA-N 1 0 387.409 3.617 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2)c1 ZINC000602739171 860244848 /nfs/dbraw/zinc/24/48/48/860244848.db2.gz WMLNWMLDDMSJDK-AZUAARDMSA-N 1 0 390.405 3.740 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154738609 860247076 /nfs/dbraw/zinc/24/70/76/860247076.db2.gz SIRKABMOMVXSGD-RTBURBONSA-N 1 0 398.551 3.541 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccnc1 ZINC000922604316 860305005 /nfs/dbraw/zinc/30/50/05/860305005.db2.gz YOSLEUNVLZKFGG-SFTDATJTSA-N 1 0 379.508 3.809 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3c3cn[nH]c3)sc2C1 ZINC000602878777 860333283 /nfs/dbraw/zinc/33/32/83/860333283.db2.gz AKHYFSPQDNQPFT-CXAGYDPISA-N 1 0 383.521 3.633 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)nc1 ZINC000602908609 860341646 /nfs/dbraw/zinc/34/16/46/860341646.db2.gz DGMBTNWKIMHAKW-UHFFFAOYSA-N 1 0 388.515 3.959 20 30 GHEDRO N#CCCCn1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000598543639 860398961 /nfs/dbraw/zinc/39/89/61/860398961.db2.gz VZINFCVWUODNSI-UHFFFAOYSA-N 1 0 378.520 3.797 20 30 GHEDRO CN(C)C(=O)c1ccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170375622 881540851 /nfs/dbraw/zinc/54/08/51/881540851.db2.gz AXEWJNISZUVSNJ-UHFFFAOYSA-N 1 0 375.516 3.925 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598585382 860432904 /nfs/dbraw/zinc/43/29/04/860432904.db2.gz BUNYKGUIAIQHQK-WMZHIEFXSA-N 1 0 394.515 3.952 20 30 GHEDRO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H](O)CC(C)(C)C#N ZINC000598594626 860437268 /nfs/dbraw/zinc/43/72/68/860437268.db2.gz BMEZRKMSVGBTHO-AWEZNQCLSA-N 1 0 376.888 3.903 20 30 GHEDRO CC1(C#N)CCC([NH2+]Cc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)CC1 ZINC000598646240 860479658 /nfs/dbraw/zinc/47/96/58/860479658.db2.gz DCKIOZUTOKPFEM-UHFFFAOYSA-N 1 0 377.488 3.780 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)CC2)cc1 ZINC000904525288 860490589 /nfs/dbraw/zinc/49/05/89/860490589.db2.gz VOCJAZCVDVPBPP-QFIPXVFZSA-N 1 0 390.487 3.631 20 30 GHEDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)nn1 ZINC000603222283 860556199 /nfs/dbraw/zinc/55/61/99/860556199.db2.gz GKOAEQIWFOKXRV-LJQANCHMSA-N 1 0 391.475 3.586 20 30 GHEDRO N#Cc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000484970926 860559109 /nfs/dbraw/zinc/55/91/09/860559109.db2.gz QVFQNMUOTRRAKD-UHFFFAOYSA-N 1 0 379.529 3.953 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000061029435 860583333 /nfs/dbraw/zinc/58/33/33/860583333.db2.gz SLQLGJDDHPOSCK-UHFFFAOYSA-N 1 0 388.533 3.572 20 30 GHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000155723174 860585126 /nfs/dbraw/zinc/58/51/26/860585126.db2.gz QZUHFOOAZYWXTO-HNNXBMFYSA-N 1 0 389.425 3.510 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170381781 881557858 /nfs/dbraw/zinc/55/78/58/881557858.db2.gz YTBVRDUHVNFOKY-UHFFFAOYSA-N 1 0 390.531 3.885 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000429017423 860701426 /nfs/dbraw/zinc/70/14/26/860701426.db2.gz FLGYIHCTWNPRNB-TZIWHRDSSA-N 1 0 383.536 3.687 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1C ZINC000598977946 860711380 /nfs/dbraw/zinc/71/13/80/860711380.db2.gz QVJYFTWGIHBVHB-UHFFFAOYSA-N 1 0 396.491 3.555 20 30 GHEDRO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000509065712 860762685 /nfs/dbraw/zinc/76/26/85/860762685.db2.gz SIDZPGFXMDDPLC-HXUWFJFHSA-N 1 0 394.515 3.965 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000156433794 860783616 /nfs/dbraw/zinc/78/36/16/860783616.db2.gz NEMHRRRRNXHLNO-GOSISDBHSA-N 1 0 397.544 3.806 20 30 GHEDRO C=CCOc1cccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000603518312 860786938 /nfs/dbraw/zinc/78/69/38/860786938.db2.gz PGEKJGSVJWWTRV-UHFFFAOYSA-N 1 0 389.293 3.534 20 30 GHEDRO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000593679112 860801952 /nfs/dbraw/zinc/80/19/52/860801952.db2.gz USGRJHPOAFZJAH-DEOSSOPVSA-N 1 0 399.542 3.830 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453454770 860837771 /nfs/dbraw/zinc/83/77/71/860837771.db2.gz QZDUKNBTVOOHGH-GOSISDBHSA-N 1 0 389.588 3.695 20 30 GHEDRO COCCCOc1cccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593693112 860867815 /nfs/dbraw/zinc/86/78/15/860867815.db2.gz PKPYEUMCXKDZFJ-UHFFFAOYSA-N 1 0 393.531 3.728 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000730125106 860871403 /nfs/dbraw/zinc/87/14/03/860871403.db2.gz NKHCJTQHPMQQNV-QZTJIDSGSA-N 1 0 398.551 3.577 20 30 GHEDRO Cc1ccc(CO[C@@H](C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000600082627 860923416 /nfs/dbraw/zinc/92/34/16/860923416.db2.gz PLQNNQZJJXAFBP-IBGZPJMESA-N 1 0 391.515 3.553 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168528669 860927043 /nfs/dbraw/zinc/92/70/43/860927043.db2.gz NHNIKSJNJSSJRM-JYJNAYRXSA-N 1 0 391.478 3.557 20 30 GHEDRO O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329013209 860946842 /nfs/dbraw/zinc/94/68/42/860946842.db2.gz FGYPFXWUWONFAP-QFIPXVFZSA-N 1 0 397.563 3.831 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000329035081 860965512 /nfs/dbraw/zinc/96/55/12/860965512.db2.gz YJBJRKDIPILSMQ-SJORKVTESA-N 1 0 396.535 3.548 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000593719606 860997304 /nfs/dbraw/zinc/99/73/04/860997304.db2.gz FUTPFNICWZKJIM-QGZVFWFLSA-N 1 0 379.504 3.891 20 30 GHEDRO C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000329095028 861013234 /nfs/dbraw/zinc/01/32/34/861013234.db2.gz BFOMWXZWLTWDHW-TZIWHRDSSA-N 1 0 397.563 3.689 20 30 GHEDRO CC(C)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000481316016 861021541 /nfs/dbraw/zinc/02/15/41/861021541.db2.gz SKNRYGHNANCTFG-NRFANRHFSA-N 1 0 376.504 3.605 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000599313875 861027627 /nfs/dbraw/zinc/02/76/27/861027627.db2.gz POXGEWHMQNYMEL-KRWDZBQOSA-N 1 0 389.293 3.585 20 30 GHEDRO N#CC1(C[C@@H](O)CN2CCSC[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599294108 861036011 /nfs/dbraw/zinc/03/60/11/861036011.db2.gz BVWSUAZKXXZFJJ-MSOLQXFVSA-N 1 0 380.941 3.501 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000329120509 861039561 /nfs/dbraw/zinc/03/95/61/861039561.db2.gz PTUYWMSRVFQSGD-VXGBXAGGSA-N 1 0 383.464 3.851 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000603689674 861045049 /nfs/dbraw/zinc/04/50/49/861045049.db2.gz ANSQVBNINHRZEH-UHFFFAOYSA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000599344642 861079331 /nfs/dbraw/zinc/07/93/31/861079331.db2.gz HEUMZKQRPYLMIW-NWDGAFQWSA-N 1 0 375.271 3.854 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000599349338 861088268 /nfs/dbraw/zinc/08/82/68/861088268.db2.gz GWSADANZIOEMSM-XLIONFOSSA-N 1 0 380.488 3.980 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000599358909 861120650 /nfs/dbraw/zinc/12/06/50/861120650.db2.gz IQQGZGNGDKXEMJ-PMPSAXMXSA-N 1 0 384.442 3.858 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000599403941 861142007 /nfs/dbraw/zinc/14/20/07/861142007.db2.gz JJZGKNZJGARWSW-ROUUACIJSA-N 1 0 382.426 3.817 20 30 GHEDRO CC1(c2ccc(Cl)cc2)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599392029 861155138 /nfs/dbraw/zinc/15/51/38/861155138.db2.gz PDIXUJCKSPMPEO-IBGZPJMESA-N 1 0 376.928 3.765 20 30 GHEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C12CCC2 ZINC001168337477 881631050 /nfs/dbraw/zinc/63/10/50/881631050.db2.gz FSSZEXOEBNLEIG-SFTDATJTSA-N 1 0 375.472 3.953 20 30 GHEDRO O=C(NCC[NH+]1CCCC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000665531475 863171050 /nfs/dbraw/zinc/17/10/50/863171050.db2.gz BBDLMEWYCMIVCA-UHFFFAOYSA-N 1 0 386.311 3.802 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000733800272 863191931 /nfs/dbraw/zinc/19/19/31/863191931.db2.gz KOTHNECLDWRECX-IBGZPJMESA-N 1 0 388.389 3.613 20 30 GHEDRO COc1ccc([C@H](CCO)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000182409828 863218398 /nfs/dbraw/zinc/21/83/98/863218398.db2.gz FSMQXBNJJHQJCV-IBGZPJMESA-N 1 0 379.378 3.659 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@H]1c1ccc(CC)o1)C(C)C ZINC000605956737 863331100 /nfs/dbraw/zinc/33/11/00/863331100.db2.gz FDSVVZHQQZSEQU-UXHICEINSA-N 1 0 389.540 3.624 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000593960069 863500482 /nfs/dbraw/zinc/50/04/82/863500482.db2.gz LCKURFNIVNVYFK-SFHVURJKSA-N 1 0 375.516 3.690 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3ccc4cccnc4n3)CC2)cc1 ZINC000594020208 863761284 /nfs/dbraw/zinc/76/12/84/863761284.db2.gz WPINWEFYLZSXHR-UHFFFAOYSA-N 1 0 385.471 3.710 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000594021618 863762622 /nfs/dbraw/zinc/76/26/22/863762622.db2.gz XJBACZQTXITFKU-UHFFFAOYSA-N 1 0 399.583 3.836 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000108927967 863800543 /nfs/dbraw/zinc/80/05/43/863800543.db2.gz ZJDKESHGRGMBHS-UHFFFAOYSA-N 1 0 396.531 3.988 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000172606930 863800629 /nfs/dbraw/zinc/80/06/29/863800629.db2.gz VBZFVWJKBSKBJV-UHFFFAOYSA-N 1 0 387.487 3.764 20 30 GHEDRO C[C@H](OCCCNC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccccc1 ZINC000594032517 863818105 /nfs/dbraw/zinc/81/81/05/863818105.db2.gz VVVAQINTSBONKZ-IBGZPJMESA-N 1 0 391.515 3.811 20 30 GHEDRO CCCOCc1ccccc1CNC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032667 863822269 /nfs/dbraw/zinc/82/22/69/863822269.db2.gz ZIHDEXXEYGXJNC-UHFFFAOYSA-N 1 0 391.515 3.770 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCc3ccc(F)cc3)CC2)c1 ZINC000594057079 863927706 /nfs/dbraw/zinc/92/77/06/863927706.db2.gz YWHCCYKNHFIVMA-UHFFFAOYSA-N 1 0 379.479 3.801 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000734164019 864042378 /nfs/dbraw/zinc/04/23/78/864042378.db2.gz IDDMUWXYZHDQSV-IBGZPJMESA-N 1 0 385.533 3.642 20 30 GHEDRO CCC[N@H+](CCOc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566548 864118270 /nfs/dbraw/zinc/11/82/70/864118270.db2.gz JEHHMWAIJOLYEC-UHFFFAOYSA-N 1 0 391.515 3.954 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000494443779 881731322 /nfs/dbraw/zinc/73/13/22/881731322.db2.gz CDVSDCPQOQJNCE-OFNKIYASSA-N 1 0 378.472 3.803 20 30 GHEDRO COc1ccc(NC(=S)NN=C2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000734362920 864176539 /nfs/dbraw/zinc/17/65/39/864176539.db2.gz VAAWUDXYOPSHKY-MRXNPFEDSA-N 1 0 382.533 3.880 20 30 GHEDRO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)s1 ZINC000896970482 864200484 /nfs/dbraw/zinc/20/04/84/864200484.db2.gz RZXRIFRZPNKAFV-MRXNPFEDSA-N 1 0 385.489 3.602 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000475164363 864366060 /nfs/dbraw/zinc/36/60/60/864366060.db2.gz NGDQXKGIGHCGNS-UHFFFAOYSA-N 1 0 383.536 3.564 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1 ZINC000734663949 864389519 /nfs/dbraw/zinc/38/95/19/864389519.db2.gz QSJITEAZJLNCSC-FXAWDEMLSA-N 1 0 384.549 3.972 20 30 GHEDRO C=CCc1cc(C[NH2+]CCCCn2cc(Br)cn2)cc(OC)c1O ZINC000475204323 864569042 /nfs/dbraw/zinc/56/90/42/864569042.db2.gz PEZRCTMJGFRRQG-UHFFFAOYSA-N 1 0 394.313 3.658 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000508473562 864648844 /nfs/dbraw/zinc/64/88/44/864648844.db2.gz PLXXVGYEUVMDQA-UHFFFAOYSA-N 1 0 398.514 3.633 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(OC)c1 ZINC000607739558 864666164 /nfs/dbraw/zinc/66/61/64/864666164.db2.gz GFMYGCDYUCXGMK-FCHUYYIVSA-N 1 0 381.516 3.728 20 30 GHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310006 864734683 /nfs/dbraw/zinc/73/46/83/864734683.db2.gz OLBUWBJSFPRFQV-CVEARBPZSA-N 1 0 377.916 3.759 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000622084567 864760535 /nfs/dbraw/zinc/76/05/35/864760535.db2.gz HILQQHFBAKXLBE-UHFFFAOYSA-N 1 0 381.442 3.573 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)s1 ZINC000622145870 864809594 /nfs/dbraw/zinc/80/95/94/864809594.db2.gz ANJPUKSWONKRAS-UHFFFAOYSA-N 1 0 399.545 3.619 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000532334056 881815135 /nfs/dbraw/zinc/81/51/35/881815135.db2.gz KPSNVQPNEDYCKV-KXBFYZLASA-N 1 0 377.513 3.922 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)[C@H](c1ccccc1)N1CCOCC1 ZINC000480622261 864989029 /nfs/dbraw/zinc/98/90/29/864989029.db2.gz LMTPRZNMTFIXRI-AUSIDOKSSA-N 1 0 395.572 3.843 20 30 GHEDRO CC(C)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@H](O)c1ccc(F)cc1 ZINC000735871615 865015413 /nfs/dbraw/zinc/01/54/13/865015413.db2.gz FAMSKGXSLQAYQX-FQEVSTJZSA-N 1 0 389.515 3.502 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc(OC)c1OC ZINC000608164475 865036238 /nfs/dbraw/zinc/03/62/38/865036238.db2.gz NHSMFTJTSRQAMK-NRFANRHFSA-N 1 0 394.515 3.779 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1OC ZINC000608168820 865064030 /nfs/dbraw/zinc/06/40/30/865064030.db2.gz MTJLLMJLWAUTOS-HXUWFJFHSA-N 1 0 380.488 3.607 20 30 GHEDRO C[C@@H]1C[C@@H](N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065312 865075688 /nfs/dbraw/zinc/07/56/88/865075688.db2.gz VPWNUBLIZNVCKI-JHDGKUDLSA-N 1 0 389.547 3.517 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000301166197 865201589 /nfs/dbraw/zinc/20/15/89/865201589.db2.gz IAQUYESCDMGMSD-UHFFFAOYSA-N 1 0 393.318 3.992 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000554957911 865243721 /nfs/dbraw/zinc/24/37/21/865243721.db2.gz FZPKYJMTBRZUAL-ZIAGYGMSSA-N 1 0 388.327 3.514 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000792985021 881859898 /nfs/dbraw/zinc/85/98/98/881859898.db2.gz IWLODKZCEUJMKU-SFHVURJKSA-N 1 0 381.867 3.891 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cccc(Br)c1)C(C)C ZINC000532351732 881864317 /nfs/dbraw/zinc/86/43/17/881864317.db2.gz FMGQMNDIMOJEAA-OAHLLOKOSA-N 1 0 380.330 3.668 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000594211452 865388372 /nfs/dbraw/zinc/38/83/72/865388372.db2.gz KPFYCCCFLNZRSE-XMSQKQJNSA-N 1 0 391.515 3.699 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000480849090 865389677 /nfs/dbraw/zinc/38/96/77/865389677.db2.gz SQPOTPRKEYMOQD-UHFFFAOYSA-N 1 0 393.512 3.991 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)c1 ZINC000738120944 865496301 /nfs/dbraw/zinc/49/63/01/865496301.db2.gz QMBNILFXJPNMEY-UHFFFAOYSA-N 1 0 375.472 3.603 20 30 GHEDRO N#Cc1cc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000555156668 865621520 /nfs/dbraw/zinc/62/15/20/865621520.db2.gz WXEGJTFMDCNGQE-QGZVFWFLSA-N 1 0 379.464 3.763 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000594293273 865722482 /nfs/dbraw/zinc/72/24/82/865722482.db2.gz FWVZVRODXJGYLZ-OAHLLOKOSA-N 1 0 385.895 3.969 20 30 GHEDRO CCN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000608877200 865784358 /nfs/dbraw/zinc/78/43/58/865784358.db2.gz RUAMMSVREGWQFR-GCJKJVERSA-N 1 0 376.504 3.654 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000739990595 865820539 /nfs/dbraw/zinc/82/05/39/865820539.db2.gz RLRTWWCGRSVFMF-WZONZLPQSA-N 1 0 391.515 3.794 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594335446 865874578 /nfs/dbraw/zinc/87/45/78/865874578.db2.gz OKIURIQIZJFGFC-MBSDFSHPSA-N 1 0 391.515 3.699 20 30 GHEDRO N#Cc1cccc(C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)c1 ZINC000608982465 865875984 /nfs/dbraw/zinc/87/59/84/865875984.db2.gz SLUZZRFHUYWACL-UHFFFAOYSA-N 1 0 390.512 3.808 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)CC1 ZINC000740736830 865974729 /nfs/dbraw/zinc/97/47/29/865974729.db2.gz OMZSZQGZHYZZDZ-UHFFFAOYSA-N 1 0 378.520 3.522 20 30 GHEDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001170426429 881927551 /nfs/dbraw/zinc/92/75/51/881927551.db2.gz RYBJAIGTSZVWCX-NRFANRHFSA-N 1 0 391.515 3.862 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000183152765 866255541 /nfs/dbraw/zinc/25/55/41/866255541.db2.gz MPQMCBGHMXUTEB-AWEZNQCLSA-N 1 0 393.878 3.995 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](CC)[C@H](C)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000670234380 866355519 /nfs/dbraw/zinc/35/55/19/866355519.db2.gz RUJYYNKBKOJXEL-MRXNPFEDSA-N 1 0 391.466 3.513 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C#N)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000183254691 866449842 /nfs/dbraw/zinc/44/98/42/866449842.db2.gz HZDWLNOQLDJEHZ-FGZHOGPDSA-N 1 0 375.472 3.583 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000609984523 866523707 /nfs/dbraw/zinc/52/37/07/866523707.db2.gz KDGVLEAUFRHJKQ-QFIPXVFZSA-N 1 0 377.488 3.549 20 30 GHEDRO Cc1cccc(-n2c(N=NC3CC[N@H+](C)[C@@H](C)C3)nc3ccccc3c2=O)c1C ZINC000741462434 866529197 /nfs/dbraw/zinc/52/91/97/866529197.db2.gz OXJGNHVIJFIIAS-INIZCTEOSA-N 1 0 389.503 3.885 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+](CC)CC)cc1 ZINC000741517702 866592294 /nfs/dbraw/zinc/59/22/94/866592294.db2.gz WBSOKYDQGLUOQE-UHFFFAOYSA-N 1 0 390.487 3.642 20 30 GHEDRO C=C(C)[C@H](CC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)OCC ZINC000534427294 866740268 /nfs/dbraw/zinc/74/02/68/866740268.db2.gz ZUBRCEPFGOMGPF-UTKZUKDTSA-N 1 0 391.531 3.516 20 30 GHEDRO CC(C)c1ccc([C@H](C)N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)cc1 ZINC000741806854 866801206 /nfs/dbraw/zinc/80/12/06/866801206.db2.gz RNWILSINWCACAB-SFHVURJKSA-N 1 0 391.519 3.979 20 30 GHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000534537436 866965955 /nfs/dbraw/zinc/96/59/55/866965955.db2.gz JRGQILMXPIRMJV-HXUWFJFHSA-N 1 0 386.883 3.773 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000793206251 882032159 /nfs/dbraw/zinc/03/21/59/882032159.db2.gz DIPJWOVLYOBYDU-CQSZACIVSA-N 1 0 377.286 3.506 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1OC ZINC000189967956 882055079 /nfs/dbraw/zinc/05/50/79/882055079.db2.gz TULQRQFNIGJXPI-HOCLYGCPSA-N 1 0 384.314 3.663 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNc1ccc(C#N)cc1 ZINC000050032930 882065113 /nfs/dbraw/zinc/06/51/13/882065113.db2.gz IDKYCWWVDXKMIN-SFHVURJKSA-N 1 0 376.504 3.661 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429792837 867310478 /nfs/dbraw/zinc/31/04/78/867310478.db2.gz VDXIREYHQBWGPR-TZIWHRDSSA-N 1 0 393.934 3.793 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(-c3sccc3C)ns2)CC1 ZINC000154289586 867338314 /nfs/dbraw/zinc/33/83/14/867338314.db2.gz PRZLSUYXDLTQDC-UHFFFAOYSA-N 1 0 377.539 3.737 20 30 GHEDRO N#CC1(NC(=O)CCCc2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000479280204 867474048 /nfs/dbraw/zinc/47/40/48/867474048.db2.gz NTIUKVOLPCSFAY-UHFFFAOYSA-N 1 0 397.469 3.962 20 30 GHEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000742725535 867506871 /nfs/dbraw/zinc/50/68/71/867506871.db2.gz UZFKOLPCWFUDMW-IBGZPJMESA-N 1 0 382.570 3.549 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC000793343481 882092412 /nfs/dbraw/zinc/09/24/12/882092412.db2.gz MXFQCUKCQDVMRV-FDDCHVKYSA-N 1 0 393.487 3.868 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000534836540 867570355 /nfs/dbraw/zinc/57/03/55/867570355.db2.gz DSRFPSNHQYFHHB-QGZVFWFLSA-N 1 0 384.545 3.761 20 30 GHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000523589160 867590706 /nfs/dbraw/zinc/59/07/06/867590706.db2.gz RVJOTMPUMZHPNK-XMMPIXPASA-N 1 0 398.510 3.776 20 30 GHEDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000440629250 867597722 /nfs/dbraw/zinc/59/77/22/867597722.db2.gz SOWVCCLCPNMYIU-HNNXBMFYSA-N 1 0 391.500 3.755 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@@H+]2CCCC2(C)C)cc1C ZINC000457069499 867605776 /nfs/dbraw/zinc/60/57/76/867605776.db2.gz FZMIAHHAVCBUAK-UHFFFAOYSA-N 1 0 393.535 3.685 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000743076258 867798563 /nfs/dbraw/zinc/79/85/63/867798563.db2.gz UZRFTQSAWRCLIG-UHFFFAOYSA-N 1 0 396.466 3.542 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000743078315 867801852 /nfs/dbraw/zinc/80/18/52/867801852.db2.gz JQHNYZQTHGEQHM-KRWDZBQOSA-N 1 0 377.492 3.583 20 30 GHEDRO N#Cc1cc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccccc12 ZINC000553677488 867903542 /nfs/dbraw/zinc/90/35/42/867903542.db2.gz WAICJJYDVRTYMC-JOCHJYFZSA-N 1 0 397.526 3.503 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000857233627 882132483 /nfs/dbraw/zinc/13/24/83/882132483.db2.gz FJERDDGOQGBAAJ-YJBOKZPZSA-N 1 0 375.513 3.663 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000743194213 867939512 /nfs/dbraw/zinc/93/95/12/867939512.db2.gz JALLHMNBHUBODT-UHFFFAOYSA-N 1 0 383.467 4.000 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000743195337 867942551 /nfs/dbraw/zinc/94/25/51/867942551.db2.gz VWRUSJZVASTTJT-UHFFFAOYSA-N 1 0 381.451 3.755 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000743198760 867947105 /nfs/dbraw/zinc/94/71/05/867947105.db2.gz YUYLOJISAAPERS-LPHOPBHVSA-N 1 0 381.451 3.795 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000743198481 867948268 /nfs/dbraw/zinc/94/82/68/867948268.db2.gz RXENDQGBUWNOLA-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000743199178 867949666 /nfs/dbraw/zinc/94/96/66/867949666.db2.gz XAVDZMUIPWEBLM-GOSISDBHSA-N 1 0 387.499 3.814 20 30 GHEDRO Cc1cc(C)cc([C@H](O)C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000743267687 868042920 /nfs/dbraw/zinc/04/29/20/868042920.db2.gz YNLXZJGWOVHCDA-HSZRJFAPSA-N 1 0 386.499 3.579 20 30 GHEDRO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CCCC3(C2)CCCCCC3)C1=O ZINC000743385737 868140905 /nfs/dbraw/zinc/14/09/05/868140905.db2.gz LHGROMYFFQDQRP-QFIPXVFZSA-N 1 0 394.519 3.719 20 30 GHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H](C)C1 ZINC000553782882 868219038 /nfs/dbraw/zinc/21/90/38/868219038.db2.gz LVHJOZMXQAGFFQ-ABSDTBQOSA-N 1 0 393.487 3.533 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000523916322 868240962 /nfs/dbraw/zinc/24/09/62/868240962.db2.gz ZOIPGHWASOVQQP-QGZVFWFLSA-N 1 0 383.458 3.723 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000609071225 868280799 /nfs/dbraw/zinc/28/07/99/868280799.db2.gz WVBOVEXWKXGZDW-HDICACEKSA-N 1 0 395.503 3.828 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)o2)cc1 ZINC000609072092 868285342 /nfs/dbraw/zinc/28/53/42/868285342.db2.gz IACDOXUYZNELTB-IBGZPJMESA-N 1 0 393.487 3.821 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000440808961 868651046 /nfs/dbraw/zinc/65/10/46/868651046.db2.gz NOMVHYKFKZWZBZ-IBGZPJMESA-N 1 0 389.421 3.950 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](C)Oc2cccc(Br)c2)ccc1C#N ZINC000440825513 868809403 /nfs/dbraw/zinc/80/94/03/868809403.db2.gz JWRKCTMTKOJVIL-ZDUSSCGKSA-N 1 0 375.266 3.886 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000744438781 868840661 /nfs/dbraw/zinc/84/06/61/868840661.db2.gz SQPJBZJTHPSYBX-SFHVURJKSA-N 1 0 390.524 3.961 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3cc(C#N)ccc3C(F)(F)F)cn2)CC1 ZINC000121610869 869015972 /nfs/dbraw/zinc/01/59/72/869015972.db2.gz TUGZZCXIMFOOKN-UHFFFAOYSA-N 1 0 389.425 3.726 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000524523529 869197114 /nfs/dbraw/zinc/19/71/14/869197114.db2.gz DJOCFVLIODGGJQ-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCCOCCCCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000539501720 869238550 /nfs/dbraw/zinc/23/85/50/869238550.db2.gz HDAAEDBEJITFBO-UHFFFAOYSA-N 1 0 379.932 3.793 20 30 GHEDRO CC1CCN(C(=O)C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)CC1 ZINC000092144839 882281712 /nfs/dbraw/zinc/28/17/12/882281712.db2.gz YJYDDXQYAJZBFJ-UHFFFAOYSA-N 1 0 383.536 3.840 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000766330383 869508616 /nfs/dbraw/zinc/50/86/16/869508616.db2.gz JXWGWLXZAXXYFL-ZWKOTPCHSA-N 1 0 375.538 3.827 20 30 GHEDRO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000539663864 869559931 /nfs/dbraw/zinc/55/99/31/869559931.db2.gz GRIOFHAVHYKIMI-UHFFFAOYSA-N 1 0 389.499 3.993 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](c2ccccc2C)C1)C(C)C ZINC000524778707 869560249 /nfs/dbraw/zinc/56/02/49/869560249.db2.gz PVPBRPDPEFXQJM-YADHBBJMSA-N 1 0 385.552 3.777 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000508861626 869890888 /nfs/dbraw/zinc/89/08/88/869890888.db2.gz DFTDFWWZPZTJRY-GOSISDBHSA-N 1 0 382.556 3.940 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC000745946858 869899381 /nfs/dbraw/zinc/89/93/81/869899381.db2.gz ZEQXFWDXHUEZQH-GOSISDBHSA-N 1 0 395.588 3.769 20 30 GHEDRO COCC[NH+]1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000920783934 882351475 /nfs/dbraw/zinc/35/14/75/882351475.db2.gz TWDMAMQABOQKQR-QFIPXVFZSA-N 1 0 392.503 3.574 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000121540356 882365774 /nfs/dbraw/zinc/36/57/74/882365774.db2.gz QPORQRFQBLOEHR-RHSMWYFYSA-N 1 0 377.431 3.792 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000746157302 870083494 /nfs/dbraw/zinc/08/34/94/870083494.db2.gz WZISWWNYJISPGG-IBGZPJMESA-N 1 0 378.394 3.759 20 30 GHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(C(=O)OC)c1C#N ZINC000538781567 870599468 /nfs/dbraw/zinc/59/94/68/870599468.db2.gz KEJOAFIEWLEBPE-HXUWFJFHSA-N 1 0 387.867 3.731 20 30 GHEDRO C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(C)(C)C[NH+](C)C ZINC000461657780 870664839 /nfs/dbraw/zinc/66/48/39/870664839.db2.gz CYMFLTROBOKHHS-KRWDZBQOSA-N 1 0 379.504 3.843 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000538823597 870682012 /nfs/dbraw/zinc/68/20/12/870682012.db2.gz NBZZPHUVDBJDEX-FYYLOGMGSA-N 1 0 389.499 3.628 20 30 GHEDRO C#Cc1cccc(N(C)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c1 ZINC000766398659 870699545 /nfs/dbraw/zinc/69/95/45/870699545.db2.gz MMZMLPPBWZCDQV-UHFFFAOYSA-N 1 0 376.504 3.787 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](C#N)C3)C2=O)ccc1Br ZINC000248990126 870716358 /nfs/dbraw/zinc/71/63/58/870716358.db2.gz NDLWKGXIHYGHNC-CPUCHLNUSA-N 1 0 376.298 3.535 20 30 GHEDRO C=CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000249133870 870770013 /nfs/dbraw/zinc/77/00/13/870770013.db2.gz GFSJSCPPEJYDHB-IFMALSPDSA-N 1 0 391.515 3.682 20 30 GHEDRO CC(C)[C@H](C#N)N1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC001192948690 870779529 /nfs/dbraw/zinc/77/95/29/870779529.db2.gz ZTNUEHMXCBSJGX-IBGZPJMESA-N 1 0 394.357 3.774 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC001192927735 870793997 /nfs/dbraw/zinc/79/39/97/870793997.db2.gz CBUQWGWZEMORHE-HNNXBMFYSA-N 1 0 385.895 3.969 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000525505430 870806006 /nfs/dbraw/zinc/80/60/06/870806006.db2.gz NZCCTRMFISSENT-MGPUTAFESA-N 1 0 398.894 3.623 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1)CC(C)C ZINC000540233800 870815840 /nfs/dbraw/zinc/81/58/40/870815840.db2.gz NYDQMYBNSLJTMA-LJQANCHMSA-N 1 0 385.552 3.932 20 30 GHEDRO N#Cc1ccncc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001192974330 870826064 /nfs/dbraw/zinc/82/60/64/870826064.db2.gz SPVCMPMAJMCIAL-UHFFFAOYSA-N 1 0 397.482 3.528 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168816094 870833958 /nfs/dbraw/zinc/83/39/58/870833958.db2.gz MWPAOMWGAZWFSY-SNVBAGLBSA-N 1 0 376.222 3.554 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Cc2cccnc2)CC1)C(C)C ZINC000538915437 870873716 /nfs/dbraw/zinc/87/37/16/870873716.db2.gz MBEAPHWOEYRTLU-QFIPXVFZSA-N 1 0 384.568 3.744 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000538934021 870916080 /nfs/dbraw/zinc/91/60/80/870916080.db2.gz WNBVUACUCZAFIL-UHFFFAOYSA-N 1 0 390.390 3.636 20 30 GHEDRO C=CCCC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000540297694 870936597 /nfs/dbraw/zinc/93/65/97/870936597.db2.gz FHOBFEDYPWZJPE-MRXNPFEDSA-N 1 0 399.457 3.886 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC001193308746 871018832 /nfs/dbraw/zinc/01/88/32/871018832.db2.gz HBNHLCLDAPSCMH-UHFFFAOYSA-N 1 0 399.897 3.607 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2c(F)cccc2F)c(OC)c1 ZINC000540332242 871038640 /nfs/dbraw/zinc/03/86/40/871038640.db2.gz DKXZDPPNZFECNQ-GDBMZVCRSA-N 1 0 377.431 3.792 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033680 871109909 /nfs/dbraw/zinc/10/99/09/871109909.db2.gz DITHYOYWTKSMGD-PBHICJAKSA-N 1 0 392.297 3.752 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000540392895 871159457 /nfs/dbraw/zinc/15/94/57/871159457.db2.gz CWJUMUCYLJXXHM-NEPJUHHUSA-N 1 0 378.822 3.850 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000540404453 871191457 /nfs/dbraw/zinc/19/14/57/871191457.db2.gz NOYKKDNAWUKRIF-RZQQEMMASA-N 1 0 377.554 3.519 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1OC ZINC000525708270 871268704 /nfs/dbraw/zinc/26/87/04/871268704.db2.gz BTJWYQZYUCYPJU-NJYVYQBISA-N 1 0 392.499 3.507 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000463278437 871314890 /nfs/dbraw/zinc/31/48/90/871314890.db2.gz BZQIAGHLCSQATO-UHFFFAOYSA-N 1 0 396.457 3.650 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)CCCCC1 ZINC000540459524 871316694 /nfs/dbraw/zinc/31/66/94/871316694.db2.gz MNNLSTJUCGDGML-QFIPXVFZSA-N 1 0 391.515 3.877 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000540455615 871345876 /nfs/dbraw/zinc/34/58/76/871345876.db2.gz MRCVYTJJGQIGIX-QHCPKHFHSA-N 1 0 387.458 3.887 20 30 GHEDRO C[NH+]1CCN(c2cncc(C(=O)Nc3ccccc3-c3ccc(C#N)cc3)c2)CC1 ZINC001193948220 871423973 /nfs/dbraw/zinc/42/39/73/871423973.db2.gz WBIXTLWUHFZRQC-UHFFFAOYSA-N 1 0 397.482 3.624 20 30 GHEDRO CCC[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000540522013 871484456 /nfs/dbraw/zinc/48/44/56/871484456.db2.gz YRKMLIRFJKRTOO-HXUWFJFHSA-N 1 0 396.560 3.935 20 30 GHEDRO CCc1ccc([C@H]2CCC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)cc1 ZINC001194116663 871486679 /nfs/dbraw/zinc/48/66/79/871486679.db2.gz UBKRFAJGLWEBKG-NRFANRHFSA-N 1 0 386.495 3.728 20 30 GHEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000540526530 871494920 /nfs/dbraw/zinc/49/49/20/871494920.db2.gz QEKCXWVOSUBSJA-UAOJZALGSA-N 1 0 388.920 3.972 20 30 GHEDRO COc1cc(C[N@@H+]2CCC23CCOCC3)ccc1OCc1cccc(C#N)c1 ZINC000618318387 871497383 /nfs/dbraw/zinc/49/73/83/871497383.db2.gz WWFBTCXXGRGTML-UHFFFAOYSA-N 1 0 378.472 3.901 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@@H]1OC ZINC001194093646 871501124 /nfs/dbraw/zinc/50/11/24/871501124.db2.gz VWDSKZKWAWFRSB-ZNOIYHFQSA-N 1 0 377.916 3.970 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000540565972 871561856 /nfs/dbraw/zinc/56/18/56/871561856.db2.gz VORIIABVXUIKBB-IBGZPJMESA-N 1 0 385.552 3.761 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CCc1cccc(Br)c1 ZINC000463413261 871664341 /nfs/dbraw/zinc/66/43/41/871664341.db2.gz CLNTVAMBJQAMBK-UHFFFAOYSA-N 1 0 386.293 3.824 20 30 GHEDRO N#CCSCCC[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001194781888 871928520 /nfs/dbraw/zinc/92/85/20/871928520.db2.gz JZHQMCBVSSFJMR-DOTOQJQBSA-N 1 0 383.355 3.841 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000552058339 871951845 /nfs/dbraw/zinc/95/18/45/871951845.db2.gz BYQQBNMCTCDZJK-CEMLEFRQSA-N 1 0 377.488 3.828 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000618798115 871967799 /nfs/dbraw/zinc/96/77/99/871967799.db2.gz VNPIQMARBFQJMF-QHCPKHFHSA-N 1 0 388.515 3.552 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802908 872012579 /nfs/dbraw/zinc/01/25/79/872012579.db2.gz NRJIWZBJIUWYLV-OPAMFIHVSA-N 1 0 397.544 3.927 20 30 GHEDRO CCCCCCCCCOC(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001194914012 872029481 /nfs/dbraw/zinc/02/94/81/872029481.db2.gz OBVBECMCWCRKNI-UHFFFAOYSA-N 1 0 381.561 3.535 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](COC)C2)cc1OC ZINC000093337779 872094579 /nfs/dbraw/zinc/09/45/79/872094579.db2.gz MVPJCHIJDLUAFV-AWEZNQCLSA-N 1 0 384.314 3.881 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(Br)cc2)C(=S)NC)cc1 ZINC000022733665 872144675 /nfs/dbraw/zinc/14/46/75/872144675.db2.gz HMMROZWQJILZPD-UHFFFAOYSA-O 1 0 392.342 3.847 20 30 GHEDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cccc(O[C@H](C#N)CC)c2)C1 ZINC000775633046 872146348 /nfs/dbraw/zinc/14/63/48/872146348.db2.gz OZKJCHUIUTWIBX-IKGGRYGDSA-N 1 0 380.435 3.824 20 30 GHEDRO N#Cc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000463650251 872260004 /nfs/dbraw/zinc/26/00/04/872260004.db2.gz QSCWQOQAAGBZAQ-JOCHJYFZSA-N 1 0 376.460 3.959 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[N@@H+](C)CC)C2)cc1OC ZINC000093770364 872410035 /nfs/dbraw/zinc/41/00/35/872410035.db2.gz JGVUPOGQXIHUOF-OAHLLOKOSA-N 1 0 397.357 3.796 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2ccc(C#N)cc2)C1 ZINC000857883497 882613020 /nfs/dbraw/zinc/61/30/20/882613020.db2.gz VVJPIEGQLXZYPT-GOSISDBHSA-N 1 0 398.304 3.844 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000463762354 872519598 /nfs/dbraw/zinc/51/95/98/872519598.db2.gz AYDUOBACNABGGT-LJQANCHMSA-N 1 0 386.536 3.844 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)c1 ZINC000527074101 872606044 /nfs/dbraw/zinc/60/60/44/872606044.db2.gz QJLRVYRUFXFYFG-UHFFFAOYSA-N 1 0 399.498 3.654 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC2(CCC2)O1 ZINC001195758598 872616427 /nfs/dbraw/zinc/61/64/27/872616427.db2.gz UDYMGZURUYSYSU-LSDHHAIUSA-N 1 0 387.549 3.717 20 30 GHEDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CC(=O)NC2(C#N)CCC2)c1 ZINC000527128525 872679022 /nfs/dbraw/zinc/67/90/22/872679022.db2.gz OONMNOWFKIFOCZ-JOCHJYFZSA-N 1 0 391.515 3.748 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001195876397 872731442 /nfs/dbraw/zinc/73/14/42/872731442.db2.gz IUZIEHUIAHNPOD-RTWAWAEBSA-N 1 0 382.479 3.729 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)n2)c1 ZINC000619598359 872791596 /nfs/dbraw/zinc/79/15/96/872791596.db2.gz HWMICTRLPOEHGY-UHFFFAOYSA-N 1 0 385.471 3.635 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)ccc1OC ZINC000060927426 882656422 /nfs/dbraw/zinc/65/64/22/882656422.db2.gz SLYBBZVCYAMTGD-ROUUACIJSA-N 1 0 376.541 3.628 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1C#N ZINC000619654661 872850196 /nfs/dbraw/zinc/85/01/96/872850196.db2.gz OYYBRKVPTPPCFC-QGZVFWFLSA-N 1 0 390.270 3.769 20 30 GHEDRO COc1cc(C[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC001196083189 872869986 /nfs/dbraw/zinc/86/99/86/872869986.db2.gz IHZIMQLJFVTQJN-BHIFYINESA-N 1 0 392.499 3.739 20 30 GHEDRO C#Cc1ccc(NC(=O)CCN2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)cc1 ZINC001196129090 872886965 /nfs/dbraw/zinc/88/69/65/872886965.db2.gz DXCNAWPEWSEXNS-DEOSSOPVSA-N 1 0 389.543 3.839 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cnc3ccc(Br)cn23)cc1Cl ZINC000619748807 872984503 /nfs/dbraw/zinc/98/45/03/872984503.db2.gz VNTFQKCBGYVAGQ-UHFFFAOYSA-N 1 0 375.657 3.912 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1C#N ZINC000182950135 872997874 /nfs/dbraw/zinc/99/78/74/872997874.db2.gz NCLLTNCDBISIEY-GJZGRUSLSA-N 1 0 382.508 3.971 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)N(CC[NH3+])c3ccc(F)cc3)c2)c1 ZINC001196329535 873035634 /nfs/dbraw/zinc/03/56/34/873035634.db2.gz FMIDYFUHMBGHAZ-UHFFFAOYSA-N 1 0 375.403 3.675 20 30 GHEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cc(O)cc(-c3cccc(C#N)c3)c1)C2 ZINC001196330602 873035984 /nfs/dbraw/zinc/03/59/84/873035984.db2.gz WPLGYIYOSXQHFF-MZADTFQBSA-N 1 0 375.472 3.676 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000183003059 873072727 /nfs/dbraw/zinc/07/27/27/873072727.db2.gz MTOQEWYZZUHTKF-GJZGRUSLSA-N 1 0 391.450 3.869 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc1 ZINC000768539946 873372421 /nfs/dbraw/zinc/37/24/21/873372421.db2.gz WEXXOZCAOUYVGK-FQEVSTJZSA-N 1 0 377.488 3.643 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000768553692 873382065 /nfs/dbraw/zinc/38/20/65/873382065.db2.gz FLVLAPSQHXZRMW-HXUWFJFHSA-N 1 0 399.535 3.847 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCN2Cc2ccc(OC)cc2)cc(OC)c1O ZINC000527772022 873585212 /nfs/dbraw/zinc/58/52/12/873585212.db2.gz HVODGQDSKBXUMF-FQEVSTJZSA-N 1 0 382.504 3.502 20 30 GHEDRO COc1ccccc1C[C@](C)(CO)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001197305330 873695388 /nfs/dbraw/zinc/69/53/88/873695388.db2.gz YWMHVTZSVIBVJS-HXUWFJFHSA-N 1 0 377.406 3.649 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000464397572 873780749 /nfs/dbraw/zinc/78/07/49/873780749.db2.gz JAWBPNIOOQFSHM-IBGZPJMESA-N 1 0 394.515 3.997 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc(C#N)c1Br ZINC000448815944 873989396 /nfs/dbraw/zinc/98/93/96/873989396.db2.gz KCLMZGLGSGZFBF-UHFFFAOYSA-N 1 0 386.293 3.525 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000541632678 874002110 /nfs/dbraw/zinc/00/21/10/874002110.db2.gz JRKSQMFRZHLURW-HUUCEWRRSA-N 1 0 389.421 3.975 20 30 GHEDRO Cc1c(F)cccc1C[NH+]1CCC(NC(=S)Nc2cccc(C#N)c2)CC1 ZINC001197736087 874017062 /nfs/dbraw/zinc/01/70/62/874017062.db2.gz KVHMXTJADQDYSL-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)cc1 ZINC000769420945 874036275 /nfs/dbraw/zinc/03/62/75/874036275.db2.gz UKXXZFWYTUAEBY-RDJZCZTQSA-N 1 0 392.421 3.937 20 30 GHEDRO Fc1ccc([C@H]2OCC[C@H]2[NH2+]CCOCC(F)(F)C(F)(F)F)cc1F ZINC000192135426 882794414 /nfs/dbraw/zinc/79/44/14/882794414.db2.gz XTKUDVKUYRFWCM-CHWSQXEVSA-N 1 0 375.284 3.599 20 30 GHEDRO CN(C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1)C(=O)OC(C)(C)C ZINC000769549649 874152161 /nfs/dbraw/zinc/15/21/61/874152161.db2.gz VOHVFPPKRAWHAC-FQEVSTJZSA-N 1 0 386.540 3.868 20 30 GHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccccc1C#N ZINC000769635357 874178860 /nfs/dbraw/zinc/17/88/60/874178860.db2.gz BGZJTBWRPGZHCM-YQQQUEKLSA-N 1 0 385.508 3.847 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C(F)F)c1F ZINC000528276749 874297920 /nfs/dbraw/zinc/29/79/20/874297920.db2.gz IHBFBXJSJVPBMO-UHFFFAOYSA-N 1 0 375.394 3.839 20 30 GHEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(=NNc3nc(=O)c4cnn(C(C)(C)C)c4[nH]3)CC2)C1 ZINC000769811001 874302037 /nfs/dbraw/zinc/30/20/37/874302037.db2.gz WYTDMIKSLBCFQL-ZBFHGGJFSA-N 1 0 399.543 3.729 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464767182 874457806 /nfs/dbraw/zinc/45/78/06/874457806.db2.gz CMBBUDOSTGGLGM-CVEARBPZSA-N 1 0 388.581 3.632 20 30 GHEDRO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464788363 874500357 /nfs/dbraw/zinc/50/03/57/874500357.db2.gz JNQZWDFUWRQCOA-QFIPXVFZSA-N 1 0 381.495 3.903 20 30 GHEDRO O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1cncn1-c1cc[nH+]cc1 ZINC001198555366 874500394 /nfs/dbraw/zinc/50/03/94/874500394.db2.gz CQGDABONNFGRKJ-UHFFFAOYSA-N 1 0 392.418 3.762 20 30 GHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCS1 ZINC000464791022 874518302 /nfs/dbraw/zinc/51/83/02/874518302.db2.gz KNTRYZNNELPZQH-KGLIPLIRSA-N 1 0 377.579 3.901 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000528402339 874519395 /nfs/dbraw/zinc/51/93/95/874519395.db2.gz DSFRVSFXMVDRIB-ROUUACIJSA-N 1 0 393.512 3.787 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@]23CCC[C@H]2OCC3)c1 ZINC001198790676 874611580 /nfs/dbraw/zinc/61/15/80/874611580.db2.gz LNBURKBCYXEJPV-XKCSPQBFSA-N 1 0 383.536 3.830 20 30 GHEDRO Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000476693622 882852799 /nfs/dbraw/zinc/85/27/99/882852799.db2.gz RWTIAOJUYRMYAE-LJQANCHMSA-N 1 0 392.503 3.911 20 30 GHEDRO C[NH+]1C(C)(C)CC(Nc2nc3ccccc3nc2NC(=O)CC#N)CC1(C)C ZINC001170451254 882861270 /nfs/dbraw/zinc/86/12/70/882861270.db2.gz PNNWYGZUKKGPEP-UHFFFAOYSA-N 1 0 380.496 3.545 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)cc1OC ZINC000449419389 874859452 /nfs/dbraw/zinc/85/94/52/874859452.db2.gz AVMXHEBSTQJEPD-GXTWGEPZSA-N 1 0 394.256 3.517 20 30 GHEDRO CC1(N2CCOCC2)CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000528728047 874972437 /nfs/dbraw/zinc/97/24/37/874972437.db2.gz KQUGFGWLZWPJFB-UHFFFAOYSA-N 1 0 375.516 3.912 20 30 GHEDRO N#CC1CCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1 ZINC000105033651 874987720 /nfs/dbraw/zinc/98/77/20/874987720.db2.gz QXLBKNOAOVYEKL-UHFFFAOYSA-N 1 0 397.523 3.659 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H]1n1cccn1 ZINC000449657453 875195349 /nfs/dbraw/zinc/19/53/49/875195349.db2.gz PDZKICHAKQLMJP-NJDAHSKKSA-N 1 0 382.508 3.853 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1OCC(F)(F)F ZINC000528905550 875247444 /nfs/dbraw/zinc/24/74/44/875247444.db2.gz WHASPTDMHPPIAL-INIZCTEOSA-N 1 0 396.413 3.638 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3c(Cl)nc4sccn43)cc2)CC1 ZINC000771527047 875313414 /nfs/dbraw/zinc/31/34/14/875313414.db2.gz ZHMBFXOKRLZLOS-QPJJXVBHSA-N 1 0 386.908 3.697 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000776093469 875330376 /nfs/dbraw/zinc/33/03/76/875330376.db2.gz PDTYYILRYZGYGX-UYAOXDASSA-N 1 0 377.488 3.873 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001201040607 875485590 /nfs/dbraw/zinc/48/55/90/875485590.db2.gz AVIOTGUALYKGHJ-KRWDZBQOSA-N 1 0 379.464 3.599 20 30 GHEDRO Cc1cc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1F ZINC001201049194 875492061 /nfs/dbraw/zinc/49/20/61/875492061.db2.gz JVSOQUCHMMTJGH-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000134568018 882938962 /nfs/dbraw/zinc/93/89/62/882938962.db2.gz MPVPSODBHRTFNW-IRXDYDNUSA-N 1 0 375.538 3.548 20 30 GHEDRO CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000151667953 875744819 /nfs/dbraw/zinc/74/48/19/875744819.db2.gz VEDMZWXRILSUNT-PXNSSMCTSA-N 1 0 394.519 3.864 20 30 GHEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccccc2C#Cc2ccccc2)C[C@@H](C)O1 ZINC001201564315 875754737 /nfs/dbraw/zinc/75/47/37/875754737.db2.gz KXGIDDIKSBNALH-WOJBJXKFSA-N 1 0 391.515 3.707 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000151711860 875829156 /nfs/dbraw/zinc/82/91/56/875829156.db2.gz FJLYIRVDKQDSPT-FPOVZHCZSA-N 1 0 395.503 3.731 20 30 GHEDRO COCc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529212494 875837902 /nfs/dbraw/zinc/83/79/02/875837902.db2.gz JISRYCZMFGXLIF-MJGOQNOKSA-N 1 0 392.503 3.737 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000529212379 875838920 /nfs/dbraw/zinc/83/89/20/875838920.db2.gz IZDVWCYBLZCLJD-YWZLYKJASA-N 1 0 398.532 3.971 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C#N ZINC000529215570 875844548 /nfs/dbraw/zinc/84/45/48/875844548.db2.gz FARADXZYWBYLIL-LJQANCHMSA-N 1 0 382.464 3.646 20 30 GHEDRO COCc1ccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000529216276 875847677 /nfs/dbraw/zinc/84/76/77/875847677.db2.gz NJWVWQQPTZDYLU-UHFFFAOYSA-N 1 0 392.503 3.833 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001201852841 875888326 /nfs/dbraw/zinc/88/83/26/875888326.db2.gz OHPZMNDZCADQTH-UHFFFAOYSA-N 1 0 379.545 3.778 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000491755853 875937209 /nfs/dbraw/zinc/93/72/09/875937209.db2.gz IOUSAYNEPWZSHX-UHFFFAOYSA-N 1 0 380.492 3.861 20 30 GHEDRO COc1cc2c(c(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)c1)O[C@@H](C)C2 ZINC001201954019 875952479 /nfs/dbraw/zinc/95/24/79/875952479.db2.gz DUIDNFYGPHPMCP-HNNXBMFYSA-N 1 0 388.471 3.581 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000106341328 875972364 /nfs/dbraw/zinc/97/23/64/875972364.db2.gz SCHFGMNYVDHMNC-UHFFFAOYSA-N 1 0 384.568 3.859 20 30 GHEDRO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000804523805 882985966 /nfs/dbraw/zinc/98/59/66/882985966.db2.gz BLLNHHIOUBJNOM-IERDGZPVSA-N 1 0 376.504 3.665 20 30 GHEDRO CC(C)[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000030477108 876084968 /nfs/dbraw/zinc/08/49/68/876084968.db2.gz QBNBOJQROCBIPE-PGRDOPGGSA-N 1 0 391.515 3.525 20 30 GHEDRO CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n1CC(C)C ZINC000271934343 876110544 /nfs/dbraw/zinc/11/05/44/876110544.db2.gz JPZORJRTBGANMB-AWEZNQCLSA-N 1 0 375.517 3.950 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccc3c(c2)CCC3)c1 ZINC000151930615 876170194 /nfs/dbraw/zinc/17/01/94/876170194.db2.gz BTGBEKDSPAISDV-UHFFFAOYSA-O 1 0 391.520 3.556 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2ncc(Br)cc2C#N)[C@H]1c1cccs1 ZINC000450347464 876300526 /nfs/dbraw/zinc/30/05/26/876300526.db2.gz IAFKGQZPZLZDAG-WBMJQRKESA-N 1 0 391.338 3.694 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3c(Br)ccc(Cl)c32)CC1 ZINC000776401538 876392190 /nfs/dbraw/zinc/39/21/90/876392190.db2.gz MMOUZUCNXWUZTB-UHFFFAOYSA-N 1 0 395.728 3.727 20 30 GHEDRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CCN(CC#N)CC2)c1 ZINC000609334735 883030390 /nfs/dbraw/zinc/03/03/90/883030390.db2.gz DNPBVIZXPMLRMS-UHFFFAOYSA-N 1 0 399.542 3.984 20 30 GHEDRO C[C@H](NC(=O)c1cccc(C#N)c1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000450697967 876789280 /nfs/dbraw/zinc/78/92/80/876789280.db2.gz OONVDIHOGRYJMI-UGSOOPFHSA-N 1 0 386.293 3.742 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187233397 876807300 /nfs/dbraw/zinc/80/73/00/876807300.db2.gz KHNPWIQCFGRMLJ-ZDUSSCGKSA-N 1 0 394.235 3.516 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@H](OC)C(F)(F)F ZINC000786824657 876945255 /nfs/dbraw/zinc/94/52/55/876945255.db2.gz YEWIXTXVNDBSER-AWEZNQCLSA-N 1 0 380.204 3.518 20 30 GHEDRO CC[C@@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)cc1 ZINC000850542474 877010887 /nfs/dbraw/zinc/01/08/87/877010887.db2.gz PHZAZCXLTCFYPU-RTBURBONSA-N 1 0 385.508 3.767 20 30 GHEDRO CCc1ccccc1NC(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000109392359 877015141 /nfs/dbraw/zinc/01/51/41/877015141.db2.gz LLWWENBKBFKTCH-UHFFFAOYSA-N 1 0 394.519 3.511 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)cc1OC(F)F ZINC000026453595 877129221 /nfs/dbraw/zinc/12/92/21/877129221.db2.gz PVRKWFMTUSHTTC-UHFFFAOYSA-N 1 0 389.402 3.629 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000180817163 883100303 /nfs/dbraw/zinc/10/03/03/883100303.db2.gz XKNDAZWTCIXEHI-NRFANRHFSA-N 1 0 394.519 3.525 20 30 GHEDRO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1C#N ZINC000443966680 877169014 /nfs/dbraw/zinc/16/90/14/877169014.db2.gz LRPZJNUOOULTSL-GOSISDBHSA-N 1 0 376.504 3.974 20 30 GHEDRO C#CCN(C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000913961089 877177377 /nfs/dbraw/zinc/17/73/77/877177377.db2.gz NLPNWXHRINQVQC-QGZVFWFLSA-N 1 0 377.941 3.616 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000609977894 877239686 /nfs/dbraw/zinc/23/96/86/877239686.db2.gz AVDWZOOXTNSZKS-DXIQSLLYSA-N 1 0 391.515 3.837 20 30 GHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492667716 877299992 /nfs/dbraw/zinc/29/99/92/877299992.db2.gz FRDUGLNEBAJZFY-GDBMZVCRSA-N 1 0 392.341 3.838 20 30 GHEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492694519 877360440 /nfs/dbraw/zinc/36/04/40/877360440.db2.gz DXHYZPSRIPILSN-ZBFHGGJFSA-N 1 0 392.341 3.838 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCOC2)O1 ZINC000530281183 877440275 /nfs/dbraw/zinc/44/02/75/877440275.db2.gz BHKBBZKVRDLIID-ISKFKSNPSA-N 1 0 392.499 3.907 20 30 GHEDRO CC(C)([C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000530292252 877456506 /nfs/dbraw/zinc/45/65/06/877456506.db2.gz PYQIAYVQIFFRJY-LJQANCHMSA-N 1 0 384.430 3.577 20 30 GHEDRO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(OCc3ccccc3)cc2)c(C)n1C ZINC000746700276 877519008 /nfs/dbraw/zinc/51/90/08/877519008.db2.gz ZQKMBDLPZZXXFK-UHFFFAOYSA-N 1 0 391.471 3.741 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460544734 877682644 /nfs/dbraw/zinc/68/26/44/877682644.db2.gz PGKYGLZXISJZAX-OAQYLSRUSA-N 1 0 388.519 3.627 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)o2)cc1 ZINC000285415301 912282745 /nfs/dbraw/zinc/28/27/45/912282745.db2.gz BOWJVWKQHJYPQS-NJYVYQBISA-N 1 0 386.455 3.613 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1 ZINC000245439501 877881897 /nfs/dbraw/zinc/88/18/97/877881897.db2.gz SXQROAUPVNLKNY-LNLFQRSKSA-N 1 0 388.581 3.539 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000477584627 877892327 /nfs/dbraw/zinc/89/23/27/877892327.db2.gz FPHCOFXHTKCJQF-HXUWFJFHSA-N 1 0 385.552 3.905 20 30 GHEDRO C=CC1CCN(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000175909241 877983457 /nfs/dbraw/zinc/98/34/57/877983457.db2.gz PPVUBVHJWZYKSQ-UHFFFAOYSA-N 1 0 385.552 3.665 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000175952758 878010086 /nfs/dbraw/zinc/01/00/86/878010086.db2.gz JVQUOHLRNPCWOU-UHFFFAOYSA-N 1 0 380.467 3.527 20 30 GHEDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1(C)C ZINC000451495004 878045244 /nfs/dbraw/zinc/04/52/44/878045244.db2.gz SUURLLRQADPEOL-GZRFBZBPSA-N 1 0 375.538 3.813 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C#N ZINC000543751459 912307156 /nfs/dbraw/zinc/30/71/56/912307156.db2.gz BZXYPDWVVCSDBF-GOEBONIOSA-N 1 0 398.576 3.935 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 ZINC000179892761 878176354 /nfs/dbraw/zinc/17/63/54/878176354.db2.gz PEMDJAZHJNERQT-FGZHOGPDSA-N 1 0 375.472 3.803 20 30 GHEDRO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000537721971 878196717 /nfs/dbraw/zinc/19/67/17/878196717.db2.gz UMVYAZRKSKFKEL-KRWDZBQOSA-N 1 0 376.456 3.788 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCSCc3ccccc3C#N)C2)C1 ZINC000788646102 878205816 /nfs/dbraw/zinc/20/58/16/878205816.db2.gz BFJXXFXYUVDFLQ-UHFFFAOYSA-N 1 0 387.549 3.781 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788646928 878206751 /nfs/dbraw/zinc/20/67/51/878206751.db2.gz FMMVYWIWHSAKDD-HNNXBMFYSA-N 1 0 375.538 3.636 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248669743 878245244 /nfs/dbraw/zinc/24/52/44/878245244.db2.gz ATZATRWGCVDGFD-QKKBWIMNSA-N 1 0 381.863 3.670 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(C#N)c1 ZINC000530670803 878270189 /nfs/dbraw/zinc/27/01/89/878270189.db2.gz PYFXHFSZGYDYEN-UHFFFAOYSA-N 1 0 389.421 3.710 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc(C#N)c2)CC1 ZINC000530674576 878303007 /nfs/dbraw/zinc/30/30/07/878303007.db2.gz LQHCYVZAOYNZJA-UHFFFAOYSA-N 1 0 382.895 3.535 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176655734 878340288 /nfs/dbraw/zinc/34/02/88/878340288.db2.gz OKURNYWPSULIAQ-UHFFFAOYSA-N 1 0 399.579 3.921 20 30 GHEDRO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)C1)C(F)(F)F ZINC000852478666 878365457 /nfs/dbraw/zinc/36/54/57/878365457.db2.gz WPENJMLYNDSNNW-RTBURBONSA-N 1 0 378.438 3.694 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852478883 878367329 /nfs/dbraw/zinc/36/73/29/878367329.db2.gz ZVYUCDVHLKQIAI-MOPGFXCFSA-N 1 0 393.453 3.756 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000852488638 878372174 /nfs/dbraw/zinc/37/21/74/878372174.db2.gz OKAMBRNTKUNBRG-MISYRCLQSA-N 1 0 382.508 3.813 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1F ZINC000852600714 878457013 /nfs/dbraw/zinc/45/70/13/878457013.db2.gz LQXXFLKVUNRNRE-QGZVFWFLSA-N 1 0 397.416 3.710 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460768431 878530773 /nfs/dbraw/zinc/53/07/73/878530773.db2.gz FKBYNBPBFFZVDZ-PZJWPPBQSA-N 1 0 395.551 3.664 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000852729160 878555467 /nfs/dbraw/zinc/55/54/67/878555467.db2.gz LHSMNMIXAQNYPF-NHCUHLMSSA-N 1 0 385.895 3.888 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)c(C#N)c1C ZINC000852732232 878563011 /nfs/dbraw/zinc/56/30/11/878563011.db2.gz SGOTWJFAQKKXDL-RTBURBONSA-N 1 0 389.883 3.708 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732273 878563203 /nfs/dbraw/zinc/56/32/03/878563203.db2.gz SWNJZSPODZQREO-IRXDYDNUSA-N 1 0 377.897 3.559 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000852808827 878615310 /nfs/dbraw/zinc/61/53/10/878615310.db2.gz LALKEBHNSOQONM-UHFFFAOYSA-N 1 0 393.434 3.694 20 30 GHEDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852847239 878633632 /nfs/dbraw/zinc/63/36/32/878633632.db2.gz QBCRCKRBXCSOAF-XMMPIXPASA-N 1 0 390.527 3.715 20 30 GHEDRO Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870135 878638875 /nfs/dbraw/zinc/63/88/75/878638875.db2.gz JQKSBIBHKMWVEO-UHFFFAOYSA-N 1 0 390.462 3.629 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c1 ZINC000238060340 878658799 /nfs/dbraw/zinc/65/87/99/878658799.db2.gz XHNNJWZUPVJOBM-UHFFFAOYSA-N 1 0 377.488 3.781 20 30 GHEDRO N#Cc1ccsc1N1CC[C@H](Nc2ccc(CC[NH+]3CCCCC3)cc2)C1=O ZINC000530961770 878808422 /nfs/dbraw/zinc/80/84/22/878808422.db2.gz WXEBSRROVZDONU-FQEVSTJZSA-N 1 0 394.544 3.866 20 30 GHEDRO C#C[C@@H]([NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCOCC1 ZINC000853115643 878822396 /nfs/dbraw/zinc/82/23/96/878822396.db2.gz LPDJDPKTJQYYDX-JOCHJYFZSA-N 1 0 378.472 3.826 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853211419 878892409 /nfs/dbraw/zinc/89/24/09/878892409.db2.gz VBTGVIHJPLIKON-KZULUSFZSA-N 1 0 392.377 3.589 20 30 GHEDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000789366348 878905051 /nfs/dbraw/zinc/90/50/51/878905051.db2.gz MJCDOBCRMXIFNS-INIZCTEOSA-N 1 0 392.459 3.536 20 30 GHEDRO C#Cc1cccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000789375963 878913704 /nfs/dbraw/zinc/91/37/04/878913704.db2.gz VIWZZUBXLDXLMU-UHFFFAOYSA-N 1 0 379.529 3.628 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000853235961 878917682 /nfs/dbraw/zinc/91/76/82/878917682.db2.gz OEXGXAJVWHRBAA-AWEZNQCLSA-N 1 0 390.368 3.567 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176520 878981915 /nfs/dbraw/zinc/98/19/15/878981915.db2.gz TZBNCJUDOAUSNB-PMACEKPBSA-N 1 0 383.488 3.667 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1ccccc1 ZINC000068865959 879105428 /nfs/dbraw/zinc/10/54/28/879105428.db2.gz KMBAPSKREMNDBC-UHFFFAOYSA-O 1 0 379.452 3.904 20 30 GHEDRO C=CCn1c(=S)n(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)nc1C1CC1 ZINC000795693186 912419260 /nfs/dbraw/zinc/41/92/60/912419260.db2.gz HJBYSFNEOSVQEW-HSALFYBXSA-N 1 0 396.560 3.939 20 30 GHEDRO N#Cc1csc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000531209782 879333080 /nfs/dbraw/zinc/33/30/80/879333080.db2.gz XXFKBCBVLFOWOA-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C#CC[C@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccccc1 ZINC000853911976 879367786 /nfs/dbraw/zinc/36/77/86/879367786.db2.gz WRFGGSYRVAFIED-GOTSBHOMSA-N 1 0 375.516 3.709 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)ccc1OC ZINC000180817761 879376344 /nfs/dbraw/zinc/37/63/44/879376344.db2.gz WEGJDRUTYBNPJF-YJBOKZPZSA-N 1 0 393.491 3.887 20 30 GHEDRO CCn1c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc2ccccc21 ZINC000068991229 879386614 /nfs/dbraw/zinc/38/66/14/879386614.db2.gz JLETTWVUFMGSOE-KRWDZBQOSA-N 1 0 377.467 3.826 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-n2cccn2)cc1 ZINC000180834143 879399782 /nfs/dbraw/zinc/39/97/82/879399782.db2.gz QWGJMPNSUCLKER-AWEZNQCLSA-N 1 0 379.851 3.687 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000069034779 879438964 /nfs/dbraw/zinc/43/89/64/879438964.db2.gz GWIASGVNNPUJCE-KRWDZBQOSA-N 1 0 381.476 3.580 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NC(C)C)cc1 ZINC000069047732 879479757 /nfs/dbraw/zinc/47/97/57/879479757.db2.gz RHEXTEXAKPYHRY-UHFFFAOYSA-O 1 0 383.537 3.894 20 30 GHEDRO N#Cc1csc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000181057608 879644156 /nfs/dbraw/zinc/64/41/56/879644156.db2.gz FTRRPDUODUMGIP-KRWDZBQOSA-N 1 0 393.434 3.919 20 30 GHEDRO N#Cc1csc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000181057625 879644439 /nfs/dbraw/zinc/64/44/39/879644439.db2.gz FTRRPDUODUMGIP-QGZVFWFLSA-N 1 0 393.434 3.919 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790535207 879802712 /nfs/dbraw/zinc/80/27/12/879802712.db2.gz YJVTTZZBWSBDRV-PGRDOPGGSA-N 1 0 393.572 3.569 20 30 GHEDRO C=C(CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000461415184 879811190 /nfs/dbraw/zinc/81/11/90/879811190.db2.gz DUPYWXDYZBWAIW-GOTSBHOMSA-N 1 0 375.516 3.863 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790682437 879907511 /nfs/dbraw/zinc/90/75/11/879907511.db2.gz YFRZBHCXMVEJOB-HXUWFJFHSA-N 1 0 386.417 3.790 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000494127167 879922007 /nfs/dbraw/zinc/92/20/07/879922007.db2.gz IKMCUQWYVHXDJX-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1cccs1 ZINC000465402418 880099146 /nfs/dbraw/zinc/09/91/46/880099146.db2.gz IWHGXSOKXJZABR-GBESFXJTSA-N 1 0 382.533 3.832 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000531588248 880129698 /nfs/dbraw/zinc/12/96/98/880129698.db2.gz VBDGQUSSNXVROA-HNNXBMFYSA-N 1 0 380.414 3.744 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000855033753 880230057 /nfs/dbraw/zinc/23/00/57/880230057.db2.gz NOYKGWDTRHVYAX-MRXNPFEDSA-N 1 0 380.319 3.613 20 30 GHEDRO COc1ccc(-c2c[nH+]c(NCc3cccc(OCCCC#N)c3)n2C)cc1 ZINC000453053493 880402012 /nfs/dbraw/zinc/40/20/12/880402012.db2.gz UJXQPDLDTXGNGG-UHFFFAOYSA-N 1 0 376.460 3.812 20 30 GHEDRO N#CCOc1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791618480 880544553 /nfs/dbraw/zinc/54/45/53/880544553.db2.gz JEXGRUYAPDQDFS-BGYRXZFFSA-N 1 0 381.907 3.806 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)C1CC1 ZINC000453319095 880790793 /nfs/dbraw/zinc/79/07/93/880790793.db2.gz CQBMPPRNWPPDCX-VGOFRKELSA-N 1 0 390.593 3.950 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000453361593 880803936 /nfs/dbraw/zinc/80/39/36/880803936.db2.gz KRKMMAHARDZVBP-BBRMVZONSA-N 1 0 391.284 3.962 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN(Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206875 912615283 /nfs/dbraw/zinc/61/52/83/912615283.db2.gz HPVLACNFQMQDPY-KRWDZBQOSA-N 1 0 387.471 3.943 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453443066 880907123 /nfs/dbraw/zinc/90/71/23/880907123.db2.gz QEZGUNHJEMIGGJ-LEWJYISDSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000453426683 880927104 /nfs/dbraw/zinc/92/71/04/880927104.db2.gz SVCVJWNPPFBIJG-QUCCMNQESA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000453464836 880967587 /nfs/dbraw/zinc/96/75/87/880967587.db2.gz LYBKNWQUBCDLID-IBGZPJMESA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000453469058 880979622 /nfs/dbraw/zinc/97/96/22/880979622.db2.gz WDDGKNSNRDWEEZ-GOSISDBHSA-N 1 0 383.540 3.543 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000113981233 881022027 /nfs/dbraw/zinc/02/20/27/881022027.db2.gz JYDBMJYNASYYEO-PZJWPPBQSA-N 1 0 386.540 3.677 20 30 GHEDRO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000792334711 881065471 /nfs/dbraw/zinc/06/54/71/881065471.db2.gz CNQHWQKLXMYJEH-HSZRJFAPSA-N 1 0 378.472 3.729 20 30 GHEDRO CC[C@H]1C[C@@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)CCO1 ZINC001170183663 881194204 /nfs/dbraw/zinc/19/42/04/881194204.db2.gz SNAFRDWALGJQDY-GOTSBHOMSA-N 1 0 388.511 3.870 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000556961492 881217333 /nfs/dbraw/zinc/21/73/33/881217333.db2.gz OSEHLOGIOWBUSX-UHFFFAOYSA-N 1 0 397.906 3.659 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)CC1 ZINC000556993202 881326231 /nfs/dbraw/zinc/32/62/31/881326231.db2.gz WOCSLBJQHIZYMQ-UHFFFAOYSA-N 1 0 394.494 3.756 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(O)c1 ZINC000804599271 883118826 /nfs/dbraw/zinc/11/88/26/883118826.db2.gz WUNFBQSMHLMTIG-ACMDDDSKSA-N 1 0 399.457 3.991 20 30 GHEDRO N#CCOc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000858556032 883194416 /nfs/dbraw/zinc/19/44/16/883194416.db2.gz FOCHXUFPZUTUJM-OAQYLSRUSA-N 1 0 375.472 3.830 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000609549878 883362515 /nfs/dbraw/zinc/36/25/15/883362515.db2.gz OWWYCEOAVCKUDX-AVRDEDQJSA-N 1 0 378.520 3.852 20 30 GHEDRO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC001183624612 912709048 /nfs/dbraw/zinc/70/90/48/912709048.db2.gz FETPWPDFCGUJQM-QFIPXVFZSA-N 1 0 387.524 3.685 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000804929353 883494505 /nfs/dbraw/zinc/49/45/05/883494505.db2.gz HQHWRWWYORAPNN-HSZRJFAPSA-N 1 0 393.506 3.724 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)ccc1OC ZINC000551229504 883537931 /nfs/dbraw/zinc/53/79/31/883537931.db2.gz PSRBIYSUZYIIOH-HXUWFJFHSA-N 1 0 382.504 3.959 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1C ZINC000185602909 883565150 /nfs/dbraw/zinc/56/51/50/883565150.db2.gz IQGKYQMRQAWKAP-AZUAARDMSA-N 1 0 377.488 3.704 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCOCC1 ZINC000859118535 883600049 /nfs/dbraw/zinc/60/00/49/883600049.db2.gz OJAFEJDYMLNBFS-MAUKXSAKSA-N 1 0 382.426 3.914 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000859214115 883667281 /nfs/dbraw/zinc/66/72/81/883667281.db2.gz MBTIZRQZVYABMI-UHFFFAOYSA-N 1 0 392.547 3.744 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195619838 883674924 /nfs/dbraw/zinc/67/49/24/883674924.db2.gz WMYHZRSTGKPHDM-INIZCTEOSA-N 1 0 381.442 3.621 20 30 GHEDRO [NH2+]=C(NCCc1cccc(Br)c1)Nc1ccc2c(c1)OCCCO2 ZINC000263093731 883700671 /nfs/dbraw/zinc/70/06/71/883700671.db2.gz JBULOXXAJGUVHU-UHFFFAOYSA-N 1 0 390.281 3.580 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805274650 883731202 /nfs/dbraw/zinc/73/12/02/883731202.db2.gz SHAVPUSVBSXGRG-AGILITTLSA-N 1 0 389.543 3.831 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1OCCCC#N ZINC000064613791 883753635 /nfs/dbraw/zinc/75/36/35/883753635.db2.gz MMSUGDQJRXIQQK-UHFFFAOYSA-N 1 0 390.487 3.912 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000609878526 883766631 /nfs/dbraw/zinc/76/66/31/883766631.db2.gz WZICKSZJGNNSKS-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(C(F)(F)F)cn2)C(=S)NCC)cc1 ZINC000286441654 912747941 /nfs/dbraw/zinc/74/79/41/912747941.db2.gz IRYQLUQQBYOHLL-UHFFFAOYSA-O 1 0 396.458 3.889 20 30 GHEDRO Cc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000609887096 883797217 /nfs/dbraw/zinc/79/72/17/883797217.db2.gz NNDQHCRGAXYSAV-UHFFFAOYSA-N 1 0 377.488 3.913 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194415940 883812478 /nfs/dbraw/zinc/81/24/78/883812478.db2.gz JQQMKCSDPQUICO-HSZRJFAPSA-N 1 0 377.532 3.949 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1cccc(F)c1 ZINC000465438391 883879031 /nfs/dbraw/zinc/87/90/31/883879031.db2.gz XIEBAYJYYYDFER-BHDDXSALSA-N 1 0 394.494 3.910 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000102640491 883997766 /nfs/dbraw/zinc/99/77/66/883997766.db2.gz SORKDIPZTJKQFC-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1OCc1cccnc1 ZINC000897602912 884040503 /nfs/dbraw/zinc/04/05/03/884040503.db2.gz ZVDHMYMPQFDRNE-UHFFFAOYSA-N 1 0 394.471 3.507 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cc2ccccc2o1 ZINC000498388546 884256102 /nfs/dbraw/zinc/25/61/02/884256102.db2.gz BYXYGFQELWEFOF-UHFFFAOYSA-N 1 0 375.472 3.827 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cn1 ZINC000747295203 884285971 /nfs/dbraw/zinc/28/59/71/884285971.db2.gz PTSZKZDZCLVKQB-OAQYLSRUSA-N 1 0 388.475 3.744 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000556295119 884359602 /nfs/dbraw/zinc/35/96/02/884359602.db2.gz BZCJMIMYADQUCQ-LBPRGKRZSA-N 1 0 382.407 3.831 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000508888525 884367156 /nfs/dbraw/zinc/36/71/56/884367156.db2.gz OAIFALAUDIODGX-UHFFFAOYSA-N 1 0 395.551 3.840 20 30 GHEDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476298353 884391040 /nfs/dbraw/zinc/39/10/40/884391040.db2.gz UFUXUEHCMYXOFV-IOJLRTSASA-N 1 0 386.540 3.524 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000860236806 884466780 /nfs/dbraw/zinc/46/67/80/884466780.db2.gz CHEHTVTXCQENJI-UHFFFAOYSA-N 1 0 391.515 3.666 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495070958 884481692 /nfs/dbraw/zinc/48/16/92/884481692.db2.gz WVJJGFNOEDBFDL-PGRDOPGGSA-N 1 0 387.545 3.516 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000806244234 884502940 /nfs/dbraw/zinc/50/29/40/884502940.db2.gz YZIXWIRSYNPUSE-UHFFFAOYSA-N 1 0 393.556 3.945 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)ccc3C)CC2)C1=O ZINC001275248697 912832395 /nfs/dbraw/zinc/83/23/95/912832395.db2.gz QXVHCIRSOLNIMD-FQEVSTJZSA-N 1 0 389.337 3.595 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c(-c2ccccc2)n1 ZINC000898071427 884583655 /nfs/dbraw/zinc/58/36/55/884583655.db2.gz JXGJENUQODPNGM-QGZVFWFLSA-N 1 0 377.517 3.985 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000806370622 884648817 /nfs/dbraw/zinc/64/88/17/884648817.db2.gz DEFIMFSGKVKPDC-UHFFFAOYSA-N 1 0 375.516 3.539 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001183889039 912875657 /nfs/dbraw/zinc/87/56/57/912875657.db2.gz CLXLZRCEPFGKMU-HSZRJFAPSA-N 1 0 386.499 3.844 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000106035125 884935150 /nfs/dbraw/zinc/93/51/50/884935150.db2.gz PTUDJXDWBAQWOP-ZWKOTPCHSA-N 1 0 377.326 3.709 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1 ZINC000106040769 884937833 /nfs/dbraw/zinc/93/78/33/884937833.db2.gz ZKBTXSILMKSUGE-UHFFFAOYSA-N 1 0 398.576 3.738 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(c3cccc(Cl)c3C)CC2)CC1 ZINC000556451547 884941224 /nfs/dbraw/zinc/94/12/24/884941224.db2.gz HNXSFSNIIWTYIQ-UHFFFAOYSA-N 1 0 390.959 3.521 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1 ZINC001168294498 884968977 /nfs/dbraw/zinc/96/89/77/884968977.db2.gz BFXMCBVHLWDTKD-NRFANRHFSA-N 1 0 378.447 3.873 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)CC1 ZINC000106323413 885033212 /nfs/dbraw/zinc/03/32/12/885033212.db2.gz OLHRFUVXAVWMSP-LJQANCHMSA-N 1 0 387.524 3.715 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000106349076 885039859 /nfs/dbraw/zinc/03/98/59/885039859.db2.gz OOLVBTHKAUJFEI-UHFFFAOYSA-N 1 0 383.517 3.510 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c(OC)c1 ZINC000537529207 885061093 /nfs/dbraw/zinc/06/10/93/885061093.db2.gz WIGCAGKDDFBQTK-MRXNPFEDSA-N 1 0 395.421 3.713 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cccc(Br)c3)CC2)C1=O ZINC001275268260 912894944 /nfs/dbraw/zinc/89/49/44/912894944.db2.gz DCAUXCDCSQUFSJ-UHFFFAOYSA-N 1 0 377.326 3.840 20 30 GHEDRO CC1(C#N)CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000612177712 885081769 /nfs/dbraw/zinc/08/17/69/885081769.db2.gz UJSVATYYCBXBBY-PCCBWWKXSA-N 1 0 380.536 3.622 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Cc2ccccc2CC#N)[NH+](C)C)cc1 ZINC000805275996 885223976 /nfs/dbraw/zinc/22/39/76/885223976.db2.gz QTPNRNDZONAWHJ-JOCHJYFZSA-N 1 0 379.504 3.501 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001130895317 885337174 /nfs/dbraw/zinc/33/71/74/885337174.db2.gz MEDVROKESCEPKA-HXUWFJFHSA-N 1 0 377.488 3.740 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000807467972 885462243 /nfs/dbraw/zinc/46/22/43/885462243.db2.gz LRNAYQHDCLZISS-OAQYLSRUSA-N 1 0 399.485 3.673 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000807467474 885463891 /nfs/dbraw/zinc/46/38/91/885463891.db2.gz RGMKAEILOFTAJT-XZOQPEGZSA-N 1 0 375.516 3.537 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000487902177 885591699 /nfs/dbraw/zinc/59/16/99/885591699.db2.gz XKWRKQZOMJMMAJ-IUODEOHRSA-N 1 0 379.302 3.657 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(OC(F)(F)F)cc1 ZINC000495390899 885647757 /nfs/dbraw/zinc/64/77/57/885647757.db2.gz JKGZJKHIYKAREW-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000286906998 912966576 /nfs/dbraw/zinc/96/65/76/912966576.db2.gz FQBRUOWUGUUCGN-RXVVDRJESA-N 1 0 396.535 3.591 20 30 GHEDRO CC(C)(C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)c1ccc(C#N)cc1 ZINC000861657398 885737207 /nfs/dbraw/zinc/73/72/07/885737207.db2.gz WPKYJPKZWXAPEH-UHFFFAOYSA-N 1 0 384.483 3.733 20 30 GHEDRO COc1ccc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1C#N ZINC000747435316 885871210 /nfs/dbraw/zinc/87/12/10/885871210.db2.gz GZALYVQFXXJCIA-GOSISDBHSA-N 1 0 398.551 3.753 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1O2 ZINC000194947505 885895968 /nfs/dbraw/zinc/89/59/68/885895968.db2.gz PYJVBHHYFMXFHK-NRFANRHFSA-N 1 0 389.499 3.595 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000532533027 885923375 /nfs/dbraw/zinc/92/33/75/885923375.db2.gz WCUDAXYYZIRSQZ-QGZVFWFLSA-N 1 0 388.581 3.681 20 30 GHEDRO COc1ccc2c(c1)CCC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000532537422 885934257 /nfs/dbraw/zinc/93/42/57/885934257.db2.gz LBAMFICTNXJMOP-UHFFFAOYSA-N 1 0 395.528 3.894 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1OC ZINC000862322409 886290805 /nfs/dbraw/zinc/29/08/05/886290805.db2.gz LLSAIKSWEYKLRO-MRXNPFEDSA-N 1 0 381.900 3.888 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000556836826 886299612 /nfs/dbraw/zinc/29/96/12/886299612.db2.gz CAKHVIITKOXULF-VSKRKVRLSA-N 1 0 380.513 3.600 20 30 GHEDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(O[C@H]2CCOC2)c1 ZINC000556860652 886395014 /nfs/dbraw/zinc/39/50/14/886395014.db2.gz TUUGJXGXZSYTGF-QHCPKHFHSA-N 1 0 391.515 3.793 20 30 GHEDRO C#CC[C@H](COC)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000862548596 886459268 /nfs/dbraw/zinc/45/92/68/886459268.db2.gz IOOSJRWLURXUOA-DGCLKSJQSA-N 1 0 376.806 3.704 20 30 GHEDRO CC(C)COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000499059814 886490893 /nfs/dbraw/zinc/49/08/93/886490893.db2.gz RNYJGCGUKSQOLE-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)Nc4ccc(C#N)cc4)CC3)c2c1 ZINC000193517701 886508744 /nfs/dbraw/zinc/50/87/44/886508744.db2.gz VNTYOIOZSOUOBO-UHFFFAOYSA-N 1 0 388.471 3.866 20 30 GHEDRO C[C@@H](Sc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000532634516 886608202 /nfs/dbraw/zinc/60/82/02/886608202.db2.gz PVRYTNMIXBHBFG-QGZVFWFLSA-N 1 0 379.529 3.820 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000487972731 886638793 /nfs/dbraw/zinc/63/87/93/886638793.db2.gz ZGCCMTRWYNBXLA-LRDDRELGSA-N 1 0 379.302 3.515 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000808670605 886664871 /nfs/dbraw/zinc/66/48/71/886664871.db2.gz KSPCJZONFLWMLG-GPWLCUNFSA-N 1 0 383.879 3.675 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)cc1Cl ZINC000237885986 887003136 /nfs/dbraw/zinc/00/31/36/887003136.db2.gz GOSJRSOATPMZBN-LJQANCHMSA-N 1 0 390.911 3.969 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)/C=C/c2ccccc2OCc2csc(C)n2)CC1 ZINC000171720829 887049694 /nfs/dbraw/zinc/04/96/94/887049694.db2.gz ZLQHXAIHHLVVLC-CMDGGOBGSA-N 1 0 397.544 3.810 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C3CCOCC3)CC2)cc1Cl ZINC000153653197 887213352 /nfs/dbraw/zinc/21/33/52/887213352.db2.gz HXWRWFMAXGJPTC-UHFFFAOYSA-N 1 0 375.900 3.679 20 30 GHEDRO Cc1nn2c(C[NH2+]C3CCC(Oc4ccccc4C#N)CC3)c(C)nc2s1 ZINC000536578360 887267889 /nfs/dbraw/zinc/26/78/89/887267889.db2.gz ZYOFNNGMCVVVFE-UHFFFAOYSA-N 1 0 381.505 3.759 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn(-c2ccccc2F)c1C)C(C)C ZINC000495966136 887311744 /nfs/dbraw/zinc/31/17/44/887311744.db2.gz OSZVMISIRMBVTN-NRFANRHFSA-N 1 0 384.499 3.748 20 30 GHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1N(C)C ZINC000119601509 887334405 /nfs/dbraw/zinc/33/44/05/887334405.db2.gz ZZBWAHOKSQPSNR-UHFFFAOYSA-N 1 0 379.508 3.528 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)nc2c1cnn2C(C)C)C(C)C ZINC000496000134 887358814 /nfs/dbraw/zinc/35/88/14/887358814.db2.gz QORMNUHQFIABIV-FQEVSTJZSA-N 1 0 383.540 3.749 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000915732247 887371894 /nfs/dbraw/zinc/37/18/94/887371894.db2.gz WLFVGIZTDXHEFL-LUAWRHEFSA-N 1 0 386.536 3.854 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287149438 913143872 /nfs/dbraw/zinc/14/38/72/913143872.db2.gz IBNAQVMGLDXTAH-ZDUSSCGKSA-N 1 0 379.302 3.516 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1C#N ZINC000488029067 887721426 /nfs/dbraw/zinc/72/14/26/887721426.db2.gz VSZUPOHJOFHFLS-OAQYLSRUSA-N 1 0 399.583 3.692 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1sccc1CC#N)c1ccccc1O2 ZINC000864860094 888038597 /nfs/dbraw/zinc/03/85/97/888038597.db2.gz FSFDMTLUFVNERW-QGZVFWFLSA-N 1 0 381.501 3.532 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000794799082 888067793 /nfs/dbraw/zinc/06/77/93/888067793.db2.gz JDQUEJQHLGEJPY-HSZRJFAPSA-N 1 0 391.515 3.677 20 30 GHEDRO CON=Cc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000763184625 888113963 /nfs/dbraw/zinc/11/39/63/888113963.db2.gz NTMPQUIYGFPCFT-UHFFFAOYSA-N 1 0 391.515 3.795 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)CCOCC1 ZINC000810034090 888115888 /nfs/dbraw/zinc/11/58/88/888115888.db2.gz MLUNJDMTRYWLMG-LJQANCHMSA-N 1 0 377.529 3.610 20 30 GHEDRO N#CCc1ccsc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000864996013 888125377 /nfs/dbraw/zinc/12/53/77/888125377.db2.gz ADYRYJZJNDZXCQ-UHFFFAOYSA-N 1 0 380.517 3.598 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c1Cl ZINC001275307230 913215113 /nfs/dbraw/zinc/21/51/13/913215113.db2.gz AGADZIIEBPNLSM-IBGZPJMESA-N 1 0 381.854 3.681 20 30 GHEDRO CC(C)c1ccc(Oc2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)ccn2)cc1 ZINC000865197941 888246461 /nfs/dbraw/zinc/24/64/61/888246461.db2.gz FUFLZJSIWGZMKE-UHFFFAOYSA-N 1 0 378.476 3.715 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1Cn1cccn1 ZINC000810250752 888351524 /nfs/dbraw/zinc/35/15/24/888351524.db2.gz PNOYZVGFQHKXFM-INIZCTEOSA-N 1 0 376.460 3.671 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000053721202 888387001 /nfs/dbraw/zinc/38/70/01/888387001.db2.gz OXXXTKBHRCKOBL-GCJKJVERSA-N 1 0 391.515 3.942 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000865634769 888490210 /nfs/dbraw/zinc/49/02/10/888490210.db2.gz IJRBWMDPZOQURP-JOCHJYFZSA-N 1 0 379.504 3.610 20 30 GHEDRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNCC[NH+]1CCCCC1 ZINC000915975095 888592866 /nfs/dbraw/zinc/59/28/66/888592866.db2.gz ZYMBZEAAXPVIGL-UHFFFAOYSA-N 1 0 394.350 3.956 20 30 GHEDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)NCc3cccc(C#N)c3)oc21 ZINC000542586617 888695248 /nfs/dbraw/zinc/69/52/48/888695248.db2.gz FTCCKMGNEBLSKY-HNNXBMFYSA-N 1 0 377.444 3.670 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001132374631 888729461 /nfs/dbraw/zinc/72/94/61/888729461.db2.gz NORWADQLQOQFGJ-OAQYLSRUSA-N 1 0 391.515 3.887 20 30 GHEDRO COc1cccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)[NH+]2CCCC2)c1 ZINC000503701574 888747743 /nfs/dbraw/zinc/74/77/43/888747743.db2.gz XPNAMKXPYSGQCN-FQEVSTJZSA-N 1 0 383.879 3.787 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(F)cc(OC)c2)no1 ZINC001211975795 888775630 /nfs/dbraw/zinc/77/56/30/888775630.db2.gz QGCQPEVEIOMETR-WMZOPIPTSA-N 1 0 377.460 3.962 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(OC)cc(OC)c2)no1 ZINC001211976031 888783025 /nfs/dbraw/zinc/78/30/25/888783025.db2.gz XOONFBVVGVQAGD-LPHOPBHVSA-N 1 0 389.496 3.832 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000245502575 888807363 /nfs/dbraw/zinc/80/73/63/888807363.db2.gz GDTAPNLUVZEKLB-IEBWSBKVSA-N 1 0 379.508 3.675 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1 ZINC000866446734 888882035 /nfs/dbraw/zinc/88/20/35/888882035.db2.gz SOHQWGGORYBWEZ-KRWDZBQOSA-N 1 0 392.503 3.543 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C12CCC2 ZINC000153949597 888935082 /nfs/dbraw/zinc/93/50/82/888935082.db2.gz RHKBTTFMRVBLFQ-NSISKUIASA-N 1 0 390.487 3.503 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CC[C@@H](C2CC2)O1 ZINC000916410595 888964715 /nfs/dbraw/zinc/96/47/15/888964715.db2.gz WDPDTEJZFWMRRV-MSOLQXFVSA-N 1 0 376.570 3.542 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCN(C(=O)Oc3ccccc3)CC1)C2 ZINC000866617771 888970495 /nfs/dbraw/zinc/97/04/95/888970495.db2.gz PCXLSLDRAILPMQ-SFTDATJTSA-N 1 0 375.472 3.669 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000532827025 889026376 /nfs/dbraw/zinc/02/63/76/889026376.db2.gz FPVDOXKIVKDGSR-WWMYMODYSA-N 1 0 391.943 3.874 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000121675864 889081711 /nfs/dbraw/zinc/08/17/11/889081711.db2.gz LRVGPIIHKMFVFI-QGZVFWFLSA-N 1 0 377.912 3.665 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](Cn3ccccc3=O)c3ccccc3)CC2)cc1 ZINC000287403359 913315046 /nfs/dbraw/zinc/31/50/46/913315046.db2.gz JFLKUSLYYHINAP-XMMPIXPASA-N 1 0 398.510 3.720 20 30 GHEDRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763411759 889240495 /nfs/dbraw/zinc/24/04/95/889240495.db2.gz VAHIBSCCTKXLCJ-IBGZPJMESA-N 1 0 389.293 3.755 20 30 GHEDRO CCOC(=O)c1ccccc1NC(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000532927199 889298996 /nfs/dbraw/zinc/29/89/96/889298996.db2.gz SQSWFGCTNMRGIQ-INIZCTEOSA-N 1 0 379.460 3.757 20 30 GHEDRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000454558002 889320319 /nfs/dbraw/zinc/32/03/19/889320319.db2.gz CMJFYZKTDIUMDG-AWEZNQCLSA-N 1 0 382.430 3.677 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465536466 889543183 /nfs/dbraw/zinc/54/31/83/889543183.db2.gz AOIOYXMPKZYJRI-MXNKGDRCSA-N 1 0 382.552 3.836 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000063401912 889601415 /nfs/dbraw/zinc/60/14/15/889601415.db2.gz XQVLKDCXYVXPFA-UHFFFAOYSA-N 1 0 388.515 3.704 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000173591431 889775324 /nfs/dbraw/zinc/77/53/24/889775324.db2.gz JRIUBGODBGUUMJ-QGZVFWFLSA-N 1 0 381.476 3.534 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(C#N)s2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000533261309 890158857 /nfs/dbraw/zinc/15/88/57/890158857.db2.gz ABSACADLWKEYDR-QGZVFWFLSA-N 1 0 391.500 3.824 20 30 GHEDRO N#CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000811957196 890159081 /nfs/dbraw/zinc/15/90/81/890159081.db2.gz YKCBLEMMVMJEQJ-FQEVSTJZSA-N 1 0 377.488 3.621 20 30 GHEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000533309883 890221745 /nfs/dbraw/zinc/22/17/45/890221745.db2.gz XACRQEUNFPATML-ICSRJNTNSA-N 1 0 399.498 3.636 20 30 GHEDRO C[C@@]1(COC(=O)Cc2ccc(OCC#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000747771608 890392569 /nfs/dbraw/zinc/39/25/69/890392569.db2.gz BPVWNJJPJVNPSU-QHCPKHFHSA-N 1 0 378.472 3.729 20 30 GHEDRO COc1ccc([C@@H](O)C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)cc1 ZINC000812855172 891004035 /nfs/dbraw/zinc/00/40/35/891004035.db2.gz HJBBCPIVMZSELL-HSZRJFAPSA-N 1 0 380.488 3.781 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000812831976 891017378 /nfs/dbraw/zinc/01/73/78/891017378.db2.gz NOMGGKMPODWCLT-UHFFFAOYSA-N 1 0 384.483 3.909 20 30 GHEDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000897522346 891046508 /nfs/dbraw/zinc/04/65/08/891046508.db2.gz MHIIUJOUELQFIW-SFHVURJKSA-N 1 0 380.414 3.532 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](CCOc3ccccc3C#N)CC2)cc1 ZINC000812862904 891077124 /nfs/dbraw/zinc/07/71/24/891077124.db2.gz ALPXGEFNQILZDR-HSZRJFAPSA-N 1 0 380.488 3.781 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000812892476 891104987 /nfs/dbraw/zinc/10/49/87/891104987.db2.gz QPRFKHIQYCJRQY-WTNAPCKOSA-N 1 0 379.479 3.710 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(F)cc1 ZINC000812930383 891136506 /nfs/dbraw/zinc/13/65/06/891136506.db2.gz YBIYJAGENOUNSH-OAQYLSRUSA-N 1 0 397.519 3.913 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[NH2+]C3CCC(C)(C#N)CC3)C2)CC1 ZINC000872125260 891171552 /nfs/dbraw/zinc/17/15/52/891171552.db2.gz WZBWGGFGZHQYKE-IDYZSHNDSA-N 1 0 391.556 3.855 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000872140087 891182069 /nfs/dbraw/zinc/18/20/69/891182069.db2.gz WRNORBWOWHQWPM-WKWVNEEDSA-N 1 0 376.541 3.573 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067202765 891225303 /nfs/dbraw/zinc/22/53/03/891225303.db2.gz YPMUDDJHNNVYDE-OAQYLSRUSA-N 1 0 399.583 3.507 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813031289 891229923 /nfs/dbraw/zinc/22/99/23/891229923.db2.gz XMYVIPCVLAHPDF-LEWJYISDSA-N 1 0 395.478 3.645 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170698671 891350559 /nfs/dbraw/zinc/35/05/59/891350559.db2.gz SICUNGOHEKHKEP-BVYCBKJFSA-N 1 0 377.475 3.896 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000872891691 891372467 /nfs/dbraw/zinc/37/24/67/891372467.db2.gz UHGSSUARSGVEAE-FQEVSTJZSA-N 1 0 398.551 3.918 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000497392687 891484431 /nfs/dbraw/zinc/48/44/31/891484431.db2.gz VUMKHGUGDGOJOT-UHFFFAOYSA-N 1 0 381.520 3.932 20 30 GHEDRO C#CCN(C(=O)N[C@H](c1ccccc1)c1ccccc1OC)C1CC[NH+](C)CC1 ZINC000917476141 892037230 /nfs/dbraw/zinc/03/72/30/892037230.db2.gz GCNHJXXICGHIMF-HSZRJFAPSA-N 1 0 391.515 3.524 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000214427809 892059168 /nfs/dbraw/zinc/05/91/68/892059168.db2.gz RHXMJOVHUGOMPA-JQZHBYGZSA-N 1 0 392.499 3.664 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@H]3CCCCN3[C@@H]3CC[NH2+]C3)n2)c(C#N)c1 ZINC001212102766 892068544 /nfs/dbraw/zinc/06/85/44/892068544.db2.gz TYVJAIKDRNZJTD-IEBWSBKVSA-N 1 0 379.508 3.795 20 30 GHEDRO C#CCN(C(=O)[C@@H](CC)Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001134262456 892538804 /nfs/dbraw/zinc/53/88/04/892538804.db2.gz BXFLYZJAPXPPEM-INIZCTEOSA-N 1 0 391.353 3.574 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c([N+](=O)[O-])c1 ZINC000875478558 892635453 /nfs/dbraw/zinc/63/54/53/892635453.db2.gz JILQVRQJPRECNK-HNNXBMFYSA-N 1 0 384.823 3.580 20 30 GHEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000774833412 913684673 /nfs/dbraw/zinc/68/46/73/913684673.db2.gz VAYMKKFUWAEXNJ-OAQYLSRUSA-N 1 0 399.922 3.714 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508700140 892671213 /nfs/dbraw/zinc/67/12/13/892671213.db2.gz ROBTWAOLWFKXLV-HXUWFJFHSA-N 1 0 395.551 3.725 20 30 GHEDRO CCc1ccc(C#CC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000814489477 892771033 /nfs/dbraw/zinc/77/10/33/892771033.db2.gz BASRYBUJWHNTSK-JOCHJYFZSA-N 1 0 388.511 3.705 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccccc1-n1cccn1)[C@H]2CC ZINC001137095224 892827432 /nfs/dbraw/zinc/82/74/32/892827432.db2.gz VBKJKNOBZSVHEK-GMAHTHKFSA-N 1 0 378.520 3.794 20 30 GHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000533760264 892840836 /nfs/dbraw/zinc/84/08/36/892840836.db2.gz CUFULHKLISVCLB-LJQANCHMSA-N 1 0 398.470 3.931 20 30 GHEDRO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCC[C@]4(C3)COCCN(c3cccc(C#N)c3)C4)C[C@@H]21 ZINC001170753091 892913919 /nfs/dbraw/zinc/91/39/19/892913919.db2.gz ZZLWTRXMCBERTO-PIATZUFCSA-N 1 0 379.548 3.912 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000933246810 892975292 /nfs/dbraw/zinc/97/52/92/892975292.db2.gz DEMBXDQPAUAZSJ-MSOLQXFVSA-N 1 0 388.581 3.539 20 30 GHEDRO C#CCC1([NH2+]Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CCCCC1 ZINC000933269488 892985214 /nfs/dbraw/zinc/98/52/14/892985214.db2.gz OGFPFOXPLQNRHP-UHFFFAOYSA-N 1 0 385.464 3.578 20 30 GHEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1OC ZINC000933443742 893043184 /nfs/dbraw/zinc/04/31/84/893043184.db2.gz FCBKMXHSRWCHEJ-HSZRJFAPSA-N 1 0 382.504 3.588 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000814674000 893049103 /nfs/dbraw/zinc/04/91/03/893049103.db2.gz MXPQNELLCMKWNE-OALUTQOASA-N 1 0 384.524 3.812 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000876637767 893267914 /nfs/dbraw/zinc/26/79/14/893267914.db2.gz RPVDGSKRBOAZMV-MSOLQXFVSA-N 1 0 388.895 3.574 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455778803 893300631 /nfs/dbraw/zinc/30/06/31/893300631.db2.gz GXMHAIFNHKNEPV-HNNXBMFYSA-N 1 0 383.883 3.735 20 30 GHEDRO N#CCOc1ccccc1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001134822029 893329491 /nfs/dbraw/zinc/32/94/91/893329491.db2.gz ZSACENDVITYOQH-HKBOAZHASA-N 1 0 389.499 3.619 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)CC1 ZINC001137114592 893391516 /nfs/dbraw/zinc/39/15/16/893391516.db2.gz QZRYRIUYZLTFMZ-UHFFFAOYSA-N 1 0 383.492 3.590 20 30 GHEDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1)c1ccccc1 ZINC000876999783 893428171 /nfs/dbraw/zinc/42/81/71/893428171.db2.gz YQIUEPCUAFHQCB-HXUWFJFHSA-N 1 0 396.922 3.881 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071023 893468854 /nfs/dbraw/zinc/46/88/54/893468854.db2.gz BLHKXGWRZKGBOT-DLBZAZTESA-N 1 0 393.478 3.945 20 30 GHEDRO C=CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674159 893509793 /nfs/dbraw/zinc/50/97/93/893509793.db2.gz IGKZJSSRPWSAON-QGZVFWFLSA-N 1 0 393.539 3.980 20 30 GHEDRO CC(C)([NH2+]Cc1cc(C#N)cnc1Cl)[C@H](O)c1ccc(Br)cc1 ZINC000877359282 893572929 /nfs/dbraw/zinc/57/29/29/893572929.db2.gz HBNYLTLKJXHLEE-OAHLLOKOSA-N 1 0 394.700 3.971 20 30 GHEDRO N#CC(CC[NH+]1CCC(N2CN=NC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000556064688 893616516 /nfs/dbraw/zinc/61/65/16/893616516.db2.gz MSNCIKKAPVXZIZ-UHFFFAOYSA-N 1 0 387.487 3.521 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000877545960 893680309 /nfs/dbraw/zinc/68/03/09/893680309.db2.gz NWHCLZPJOAHKRZ-MSOLQXFVSA-N 1 0 391.556 3.997 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000877569888 893695738 /nfs/dbraw/zinc/69/57/38/893695738.db2.gz CNDQRQQPZWWSMM-ROUUACIJSA-N 1 0 379.545 3.855 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000877610772 893718381 /nfs/dbraw/zinc/71/83/81/893718381.db2.gz YLAGUOYLNLYNRZ-HCXYKTFWSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000877651800 893743397 /nfs/dbraw/zinc/74/33/97/893743397.db2.gz LLGMKWQYLSQSNX-DLBZAZTESA-N 1 0 377.529 3.607 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1)c1ccccc1 ZINC000459533679 893749796 /nfs/dbraw/zinc/74/97/96/893749796.db2.gz POPAASQGPAZFDP-QHCPKHFHSA-N 1 0 391.515 3.817 20 30 GHEDRO C[NH+](C)CC1(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CCCCC1 ZINC000563466195 893769652 /nfs/dbraw/zinc/76/96/52/893769652.db2.gz MHIFZJIVWMZWAT-UHFFFAOYSA-N 1 0 387.499 3.579 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877757613 893795794 /nfs/dbraw/zinc/79/57/94/893795794.db2.gz OTFNFVGJAUYXPP-DLBZAZTESA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877757790 893796036 /nfs/dbraw/zinc/79/60/36/893796036.db2.gz VKNWSCFOPSJGHT-ZDUSSCGKSA-N 1 0 378.904 3.732 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000877760985 893800351 /nfs/dbraw/zinc/80/03/51/893800351.db2.gz PRLRANAJNPBMBE-QRVDHSFSSA-N 1 0 375.310 3.776 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[C@@H]1OCCc2sccc21)C(C)C ZINC000556128108 893856617 /nfs/dbraw/zinc/85/66/17/893856617.db2.gz ZWNFJXCRWYSTNC-POAQFYNOSA-N 1 0 376.566 3.813 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NC3CCN(c4cc[nH+]cc4)CC3)cc2)nc1 ZINC001135112996 894027756 /nfs/dbraw/zinc/02/77/56/894027756.db2.gz NRLQIZYRSBEQDS-UHFFFAOYSA-N 1 0 399.454 3.539 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](COCc2ccccc2)C1)c1ccccc1 ZINC000878137353 894044313 /nfs/dbraw/zinc/04/43/13/894044313.db2.gz SUNQGAMLNGTDPS-UPVQGACJSA-N 1 0 376.500 3.966 20 30 GHEDRO CSc1nnc(CCCNC(=[NH2+])Nc2cc(F)ccc2F)n1C1CCCC1 ZINC000288678135 913840571 /nfs/dbraw/zinc/84/05/71/913840571.db2.gz IHRSDTCHKDIWFK-UHFFFAOYSA-N 1 0 394.495 3.753 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1C#N ZINC000459766692 894190707 /nfs/dbraw/zinc/19/07/07/894190707.db2.gz XPCYTZDEMCYLGO-BJKOFHAPSA-N 1 0 388.490 3.794 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000127107928 894274586 /nfs/dbraw/zinc/27/45/86/894274586.db2.gz SSMZOEHJIILXOT-UZKOGDIHSA-N 1 0 396.535 3.526 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 ZINC000022686874 894278391 /nfs/dbraw/zinc/27/83/91/894278391.db2.gz ZTGASEMMXUBSPD-UHFFFAOYSA-O 1 0 379.549 3.890 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537076591 894299552 /nfs/dbraw/zinc/29/95/52/894299552.db2.gz JMXJLZSRCQVCMC-MRXNPFEDSA-N 1 0 396.447 3.591 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000537124328 894348758 /nfs/dbraw/zinc/34/87/58/894348758.db2.gz LTNREOQEBHQBLX-LRAJWGHMSA-N 1 0 375.488 3.708 20 30 GHEDRO C[C@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000935324593 894364777 /nfs/dbraw/zinc/36/47/77/894364777.db2.gz PLUGHIHFWQJASK-KRWDZBQOSA-N 1 0 377.488 3.513 20 30 GHEDRO C[C@@H](Oc1ccccc1NC(=O)N(CCC#N)CCC[NH+](C)C)C(F)(F)F ZINC000288757105 913867661 /nfs/dbraw/zinc/86/76/61/913867661.db2.gz HOTFOSLOFPFJCR-CQSZACIVSA-N 1 0 386.418 3.715 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(C)c1 ZINC000022793118 894403869 /nfs/dbraw/zinc/40/38/69/894403869.db2.gz HMKXIHGYFZDEJY-UHFFFAOYSA-O 1 0 385.553 3.755 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CCOCC1 ZINC000537220029 894582929 /nfs/dbraw/zinc/58/29/29/894582929.db2.gz MRBOYUQSFGDDEC-DOTOQJQBSA-N 1 0 375.538 3.814 20 30 GHEDRO CCC[C@H]1CN(CC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000537219612 894584923 /nfs/dbraw/zinc/58/49/23/894584923.db2.gz KTTCIJGUQXIWOY-IBGZPJMESA-N 1 0 382.533 3.545 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@H](C)C1 ZINC000127362049 894664931 /nfs/dbraw/zinc/66/49/31/894664931.db2.gz JMKWCIGKDVURAI-OPAMFIHVSA-N 1 0 378.520 3.768 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccccc1 ZINC000878937618 894736902 /nfs/dbraw/zinc/73/69/02/894736902.db2.gz YESDMUFRYSFPEG-JWQCQUIFSA-N 1 0 389.543 3.676 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)nc1 ZINC000879023212 894789328 /nfs/dbraw/zinc/78/93/28/894789328.db2.gz JEHVDBJVWYQHRU-LJQANCHMSA-N 1 0 386.293 3.629 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001135566707 894803198 /nfs/dbraw/zinc/80/31/98/894803198.db2.gz RSRDCKUFXDBZPS-OALUTQOASA-N 1 0 389.540 3.655 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)c1C#N ZINC000537412347 894933368 /nfs/dbraw/zinc/93/33/68/894933368.db2.gz UBKHKEPSXWTDNM-QFIPXVFZSA-N 1 0 386.540 3.657 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1F ZINC000564429455 894973977 /nfs/dbraw/zinc/97/39/77/894973977.db2.gz VTXWUICPEGDQGT-HNNXBMFYSA-N 1 0 388.393 3.762 20 30 GHEDRO C=CCC[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(C(F)(F)F)cc1 ZINC000564466223 895015294 /nfs/dbraw/zinc/01/52/94/895015294.db2.gz LIXASWIQVPFBLT-KRWDZBQOSA-N 1 0 394.441 3.901 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2-c2ccc(F)cc2)c1C#N ZINC000760309939 895158801 /nfs/dbraw/zinc/15/88/01/895158801.db2.gz WYCQHIUAOGEXSA-UHFFFAOYSA-N 1 0 383.452 3.553 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000879604547 895168072 /nfs/dbraw/zinc/16/80/72/895168072.db2.gz BAJJXTKNOHMTDX-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO CN(Cc1ccccc1)CC(C)(C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000564776136 895241067 /nfs/dbraw/zinc/24/10/67/895241067.db2.gz UDKSXYNLELECNA-QFIPXVFZSA-N 1 0 390.531 3.554 20 30 GHEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000564986355 895338979 /nfs/dbraw/zinc/33/89/79/895338979.db2.gz NRDNXFWTADIRSF-KRWDZBQOSA-N 1 0 396.292 3.777 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC12CC[NH+](CCCOc1cccc(C#N)c1)CC2 ZINC000817288328 895445611 /nfs/dbraw/zinc/44/56/11/895445611.db2.gz VPBDQVXHAVOQCR-UHFFFAOYSA-N 1 0 385.508 3.803 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000565370772 895571672 /nfs/dbraw/zinc/57/16/72/895571672.db2.gz LRDDZXHYIRUNLQ-LJQANCHMSA-N 1 0 387.549 3.549 20 30 GHEDRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(Cc1ccc(C#N)o1)C(C)C ZINC000880215930 895575852 /nfs/dbraw/zinc/57/58/52/895575852.db2.gz KNOQXMOHSYCZAL-CYBMUJFWSA-N 1 0 389.477 3.545 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](c3nccs3)C1)CCCC2 ZINC000880314021 895631013 /nfs/dbraw/zinc/63/10/13/895631013.db2.gz JYTUUIDABXYDOH-CYBMUJFWSA-N 1 0 386.546 3.773 20 30 GHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000565450513 895635359 /nfs/dbraw/zinc/63/53/59/895635359.db2.gz ROWQMKCYJURMDD-OAHLLOKOSA-N 1 0 385.537 3.847 20 30 GHEDRO CN(C(=O)Nc1cc(C#N)c(F)cc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000880711474 895823757 /nfs/dbraw/zinc/82/37/57/895823757.db2.gz LLQGTXRRBOKMJF-UHFFFAOYSA-N 1 0 390.356 3.717 20 30 GHEDRO CC[N@H+](CC(=O)NCC#N)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC000565768021 895863897 /nfs/dbraw/zinc/86/38/97/895863897.db2.gz OBVIZGIYUGGRKX-UHFFFAOYSA-N 1 0 379.504 3.653 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)CC2 ZINC000565862679 895941214 /nfs/dbraw/zinc/94/12/14/895941214.db2.gz BJXAJAKCYSPHSI-JXFKEZNVSA-N 1 0 390.405 3.885 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1nccc(Oc2cccc(C#N)c2)n1 ZINC001185693680 914022891 /nfs/dbraw/zinc/02/28/91/914022891.db2.gz RYJGAQWRXFFVQG-UHFFFAOYSA-N 1 0 391.450 3.848 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880925895 896002609 /nfs/dbraw/zinc/00/26/09/896002609.db2.gz XGISGMJEIJGLGW-INIZCTEOSA-N 1 0 382.430 3.677 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccnn1-c1ccccc1 ZINC000565985196 896028512 /nfs/dbraw/zinc/02/85/12/896028512.db2.gz AQOKMSOPDWZECE-LAUBAEHRSA-N 1 0 385.471 3.590 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)[C@H]2CCOC(C)(C)C2)cc1 ZINC000566038272 896064385 /nfs/dbraw/zinc/06/43/85/896064385.db2.gz LZZAFIGHDBUKPP-IBGZPJMESA-N 1 0 387.524 3.611 20 30 GHEDRO CCN(C(=O)Nc1cccc(CC#N)n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000881150311 896200456 /nfs/dbraw/zinc/20/04/56/896200456.db2.gz NSNHYQRONUPJHI-FXAWDEMLSA-N 1 0 377.492 3.837 20 30 GHEDRO C=C[C@@H]1C[C@]1(Nc1nccc2c1CC[N@H+](Cc1ccccc1)C2)C(=O)OCC ZINC001170920830 896377183 /nfs/dbraw/zinc/37/71/83/896377183.db2.gz AJRJQDBBGUXBPH-AUSIDOKSSA-N 1 0 377.488 3.560 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C[C@H](O)c3ccc(F)cc3Cl)CC2)nc1 ZINC000819200267 896473916 /nfs/dbraw/zinc/47/39/16/896473916.db2.gz MGZVNGIAJQUTRE-RJYAGPCLSA-N 1 0 389.858 3.759 20 30 GHEDRO COc1cc(Br)ccc1CCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819225591 896518420 /nfs/dbraw/zinc/51/84/20/896518420.db2.gz YOLHXZUDFWSEOZ-SFHVURJKSA-N 1 0 389.293 3.585 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3[C@H]3CCCO3)sc2C1 ZINC000566724630 896525633 /nfs/dbraw/zinc/52/56/33/896525633.db2.gz ICGPCLUGGVFWJY-FHLIZLRMSA-N 1 0 387.549 3.717 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000819310063 896545904 /nfs/dbraw/zinc/54/59/04/896545904.db2.gz YKVUCGMXGXDUIW-RISCZKNCSA-N 1 0 388.002 3.637 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)cc1 ZINC000819261210 896548454 /nfs/dbraw/zinc/54/84/54/896548454.db2.gz BMXWDJPGXVWYBR-GUYCJALGSA-N 1 0 393.270 3.718 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000819272325 896559007 /nfs/dbraw/zinc/55/90/07/896559007.db2.gz RMTGVSBNVPFIJY-CQSZACIVSA-N 1 0 385.986 3.534 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1 ZINC000819274984 896561337 /nfs/dbraw/zinc/56/13/37/896561337.db2.gz KMQJZYXDVJARBX-QGTPRVQTSA-N 1 0 375.241 3.639 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@]2(COC)OCCc3ccccc32)ccc1OC ZINC000566826314 896604382 /nfs/dbraw/zinc/60/43/82/896604382.db2.gz MBRNHSYZGBLLMZ-XMMPIXPASA-N 1 0 397.515 3.854 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727217 896937112 /nfs/dbraw/zinc/93/71/12/896937112.db2.gz PCIVESXLOIAJHO-QGZVFWFLSA-N 1 0 384.911 3.806 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000567174293 896937306 /nfs/dbraw/zinc/93/73/06/896937306.db2.gz LUTRNAIVDFZIJJ-KKSFZXQISA-N 1 0 377.463 3.681 20 30 GHEDRO N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cccc(C[NH+]4CCCCC4)c3)n2)c1 ZINC000567238032 896997451 /nfs/dbraw/zinc/99/74/51/896997451.db2.gz CRXWIVSMMRCINX-UHFFFAOYSA-N 1 0 399.498 3.864 20 30 GHEDRO C=CCc1cc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)cc(OC)c1O ZINC000567281906 897030711 /nfs/dbraw/zinc/03/07/11/897030711.db2.gz TYSNIMUSVBJZFW-HOYKHHGWSA-N 1 0 397.515 3.671 20 30 GHEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131097409 897321279 /nfs/dbraw/zinc/32/12/79/897321279.db2.gz XBFMEJYWJXDUDD-OAQYLSRUSA-N 1 0 387.487 3.798 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000567689375 897340245 /nfs/dbraw/zinc/34/02/45/897340245.db2.gz JCPVCAPDUGGHDF-HYBUGGRVSA-N 1 0 394.559 3.970 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000131191545 897353012 /nfs/dbraw/zinc/35/30/12/897353012.db2.gz ADVJJKNLNAAGQS-UHFFFAOYSA-N 1 0 387.487 3.874 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@H]1Cc2ccccc2O1 ZINC000883225894 897384615 /nfs/dbraw/zinc/38/46/15/897384615.db2.gz OKROXVWHCAJISE-LHQXJTHXSA-N 1 0 377.550 3.518 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000567858491 897456040 /nfs/dbraw/zinc/45/60/40/897456040.db2.gz ANNDRARORDCERX-CVEARBPZSA-N 1 0 393.457 3.668 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000883313061 897479756 /nfs/dbraw/zinc/47/97/56/897479756.db2.gz ULKCXKPNXIPAMM-UHFFFAOYSA-N 1 0 384.524 3.529 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccc(Cl)cc1F ZINC000820737563 897524950 /nfs/dbraw/zinc/52/49/50/897524950.db2.gz GCDAIJMXWGPYKN-LJQANCHMSA-N 1 0 379.907 3.915 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](Cn3ccnc3)c3ccccc3)CC2)cc1 ZINC000883386259 897548170 /nfs/dbraw/zinc/54/81/70/897548170.db2.gz CLNGDBRYQZVZKB-DEOSSOPVSA-N 1 0 385.515 3.750 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000568156728 897641348 /nfs/dbraw/zinc/64/13/48/897641348.db2.gz NDOPNBDOVSPDMQ-KIFXHHALSA-N 1 0 394.515 3.781 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000132076405 897655812 /nfs/dbraw/zinc/65/58/12/897655812.db2.gz RJAPYCMERAKKQU-OAHLLOKOSA-N 1 0 394.924 3.577 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@@H+](C3CC(OCc4ccccc4)C3)CC2)cc1 ZINC000821337766 897843334 /nfs/dbraw/zinc/84/33/34/897843334.db2.gz WKCAQWUYEDVJDX-UHFFFAOYSA-N 1 0 375.516 3.814 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000568567737 897942558 /nfs/dbraw/zinc/94/25/58/897942558.db2.gz VMBQIOTYQNKLOF-TZIWHRDSSA-N 1 0 397.567 3.826 20 30 GHEDRO N#CC[C@@H](CC(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)c1ccccc1 ZINC000568875797 898182416 /nfs/dbraw/zinc/18/24/16/898182416.db2.gz PUYGEDKTYKRVDE-FQEVSTJZSA-N 1 0 384.483 3.971 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000568916568 898208696 /nfs/dbraw/zinc/20/86/96/898208696.db2.gz SHKKYEUZDNIXIF-HXUWFJFHSA-N 1 0 396.491 3.778 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000106261416 898262981 /nfs/dbraw/zinc/26/29/81/898262981.db2.gz ZDXCQAJNDUTFEU-UHFFFAOYSA-N 1 0 397.466 3.526 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000106243435 898263097 /nfs/dbraw/zinc/26/30/97/898263097.db2.gz LUQHYZNYYDPVEV-INIZCTEOSA-N 1 0 397.906 3.877 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000043306982 898436584 /nfs/dbraw/zinc/43/65/84/898436584.db2.gz WDBUMYQRZKROIU-JOCHJYFZSA-N 1 0 392.503 3.545 20 30 GHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822592919 898516824 /nfs/dbraw/zinc/51/68/24/898516824.db2.gz LHVINFZCTHGEEA-NRFANRHFSA-N 1 0 399.535 3.554 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)sc2c1CCCCC2 ZINC000569436542 898659708 /nfs/dbraw/zinc/65/97/08/898659708.db2.gz BEKMJEAWKYLNRN-YSGRDPCXSA-N 1 0 399.560 3.764 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)C(C)C ZINC000043573541 898727442 /nfs/dbraw/zinc/72/74/42/898727442.db2.gz IOJMHEUCRCORNW-FQEVSTJZSA-N 1 0 384.524 3.634 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000569771885 898942990 /nfs/dbraw/zinc/94/29/90/898942990.db2.gz FMSIXBGWMLLSAH-UHFFFAOYSA-N 1 0 384.377 3.624 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331533182 898963944 /nfs/dbraw/zinc/96/39/44/898963944.db2.gz FKGCIWLWFPANSW-VGAAOJSGSA-N 1 0 389.927 3.800 20 30 GHEDRO C=CC[C@]1(C(=O)NCC[N@H+]2CCCC[C@H]2CC)CCCN1C(=O)OC(C)(C)C ZINC001136732846 899087683 /nfs/dbraw/zinc/08/76/83/899087683.db2.gz HRUJJNHWXSZOGX-XMSQKQJNSA-N 1 0 393.572 3.713 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000823617836 899137217 /nfs/dbraw/zinc/13/72/17/899137217.db2.gz NNKCTFNBVPVHLA-OXQOHEQNSA-N 1 0 387.524 3.559 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000823801628 899268043 /nfs/dbraw/zinc/26/80/43/899268043.db2.gz LDJCDOCIPZGXGG-SFTDATJTSA-N 1 0 398.551 3.705 20 30 GHEDRO Cc1cccc(Oc2ncccc2NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1C ZINC000884187636 899282384 /nfs/dbraw/zinc/28/23/84/899282384.db2.gz KVRBCJHIZXRJLU-PSCUFVCCSA-N 1 0 376.460 3.569 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C(N)=O)CC[C@H]3C)sc2C1 ZINC000331943426 899283009 /nfs/dbraw/zinc/28/30/09/899283009.db2.gz MIUKPAXSLGNLQB-MGPQQGTHSA-N 1 0 388.537 3.709 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289798602 914354264 /nfs/dbraw/zinc/35/42/64/914354264.db2.gz MEAAOGBYJPYUFU-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cnc3cc(C)ccn23)CC1 ZINC001136891382 899661067 /nfs/dbraw/zinc/66/10/67/899661067.db2.gz RQHMTLZHUZANJD-UHFFFAOYSA-N 1 0 376.460 3.566 20 30 GHEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824592292 899708263 /nfs/dbraw/zinc/70/82/63/899708263.db2.gz LOPJDSXNCOBQQD-OAHLLOKOSA-N 1 0 378.505 3.831 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2coc3c2ccc(Cl)c3Cl)CC1 ZINC001136962114 899874170 /nfs/dbraw/zinc/87/41/70/899874170.db2.gz AVGIFJZKKGLXJP-UHFFFAOYSA-N 1 0 379.287 3.886 20 30 GHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000572050612 900045199 /nfs/dbraw/zinc/04/51/99/900045199.db2.gz MIYZPWHECTZHLE-NPPFBWRTSA-N 1 0 378.520 3.747 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)cc1 ZINC000825305136 900080402 /nfs/dbraw/zinc/08/04/02/900080402.db2.gz DNGBVXSZAZAKJZ-AUUYWEPGSA-N 1 0 389.293 3.905 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(F)cc1OCC#N ZINC000135249736 900209720 /nfs/dbraw/zinc/20/97/20/900209720.db2.gz WWVLSDNKIZGZME-UHFFFAOYSA-N 1 0 384.455 3.890 20 30 GHEDRO CC[NH+](CC)CCn1c(NC(=O)c2ccc(C#N)c(OC)c2)nc2ccccc21 ZINC000825479558 900212797 /nfs/dbraw/zinc/21/27/97/900212797.db2.gz OZFVJIHPQSSGOW-UHFFFAOYSA-N 1 0 391.475 3.511 20 30 GHEDRO COc1cc2cc(C#N)c(-n3c4ccccc4c4c3C[C@H]([NH3+])CC4)nc2cc1OC ZINC001171092139 900215303 /nfs/dbraw/zinc/21/53/03/900215303.db2.gz YOZPGVYDNQLMRE-MRXNPFEDSA-N 1 0 398.466 3.884 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000135288900 900216455 /nfs/dbraw/zinc/21/64/55/900216455.db2.gz HPUMSQCILJTRKW-SFHVURJKSA-N 1 0 382.439 3.514 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)C[N@@H+]1Cc1ccccc1 ZINC000135319602 900221030 /nfs/dbraw/zinc/22/10/30/900221030.db2.gz GAJYSZUELBYRGJ-MAUKXSAKSA-N 1 0 382.439 3.513 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC)c(C(F)(F)F)c1)CC2 ZINC001143639515 900264874 /nfs/dbraw/zinc/26/48/74/900264874.db2.gz XMKFDSMZHKRQNI-UHFFFAOYSA-N 1 0 382.426 3.857 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(Br)c(C)cn1)C2 ZINC001143650591 900286679 /nfs/dbraw/zinc/28/66/79/900286679.db2.gz NBKIHDMTYGDFKB-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO CN1CC[C@@]2(C[N@H+](Cc3c(Cl)cccc3C#N)C[C@@H]2c2ccccc2)C1=O ZINC001143723542 900442143 /nfs/dbraw/zinc/44/21/43/900442143.db2.gz GUJQDTPODOAVMW-KNQAVFIVSA-N 1 0 379.891 3.660 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4c(Cl)cccc4C#N)CC[N@@H+]3C2)cc1 ZINC001143723273 900442630 /nfs/dbraw/zinc/44/26/30/900442630.db2.gz OUWPTGNEOQFJSK-ICSRJNTNSA-N 1 0 381.907 3.858 20 30 GHEDRO Cn1nc(CCC[N@H+](C)C[C@H](O)CC2(C#N)CCC2)cc1-c1ccc(F)cc1 ZINC000885970692 900659163 /nfs/dbraw/zinc/65/91/63/900659163.db2.gz HPVNGWPNRVEJDH-HXUWFJFHSA-N 1 0 384.499 3.535 20 30 GHEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000574022297 900746286 /nfs/dbraw/zinc/74/62/86/900746286.db2.gz VXXJPIHBUVYEAJ-INIZCTEOSA-N 1 0 396.413 3.699 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC000844457981 900849660 /nfs/dbraw/zinc/84/96/60/900849660.db2.gz BUADJNIKCOMFMP-YPAWHYETSA-N 1 0 398.547 3.965 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)CCC1 ZINC000886175158 900861293 /nfs/dbraw/zinc/86/12/93/900861293.db2.gz SCPIVVQORXMFAC-KRWDZBQOSA-N 1 0 382.426 3.746 20 30 GHEDRO N#CC1(CCN2CC[N@@H+](CCC3(C#N)CCCCC3)C[C@@H]2CO)CCCCC1 ZINC000886369747 900960305 /nfs/dbraw/zinc/96/03/05/900960305.db2.gz OKFHYDBXFRQXQR-OAQYLSRUSA-N 1 0 386.584 3.693 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000575220098 901163539 /nfs/dbraw/zinc/16/35/39/901163539.db2.gz YFLSPIKAFQCDAZ-GHTZIAJQSA-N 1 0 395.551 3.662 20 30 GHEDRO COc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc(SC)c(C#N)c2)cc1 ZINC000886690374 901228292 /nfs/dbraw/zinc/22/82/92/901228292.db2.gz VERWDWASOGCXLD-HXUWFJFHSA-N 1 0 393.516 3.801 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)cc2)c1 ZINC000886933913 901336662 /nfs/dbraw/zinc/33/66/62/901336662.db2.gz GCOLLEDEYTUZNM-OAHLLOKOSA-N 1 0 386.402 3.717 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000886954790 901353410 /nfs/dbraw/zinc/35/34/10/901353410.db2.gz MIIVBPKNDVXDSX-QFIPXVFZSA-N 1 0 391.475 3.743 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C1CCC(CO)CC1 ZINC000089924736 901428019 /nfs/dbraw/zinc/42/80/19/901428019.db2.gz ZVLCQAXPVIGNJR-KLAILNCOSA-N 1 0 375.538 3.502 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4c(cc3O)CCCC4)CC2)c1 ZINC001144280476 901583901 /nfs/dbraw/zinc/58/39/01/901583901.db2.gz AIMNEHQKYMXRGQ-UHFFFAOYSA-N 1 0 389.499 3.537 20 30 GHEDRO CCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000576054577 901621673 /nfs/dbraw/zinc/62/16/73/901621673.db2.gz KPRGIHSNYBMXNX-QGZVFWFLSA-N 1 0 393.487 3.974 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)CC2)c1 ZINC001171162479 901790074 /nfs/dbraw/zinc/79/00/74/901790074.db2.gz JJXDJGHUJSOWCT-KRWDZBQOSA-N 1 0 387.314 3.940 20 30 GHEDRO N#CC1(NC(=O)N[C@H]2CCCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001186483393 914569563 /nfs/dbraw/zinc/56/95/63/914569563.db2.gz WOZGIIQVXCQRPX-QFIPXVFZSA-N 1 0 388.515 3.922 20 30 GHEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc4ccccc4nc3C(C#N)C#N)c2c1 ZINC001171165476 901857449 /nfs/dbraw/zinc/85/74/49/901857449.db2.gz IPDBLMGIMYPYKT-OAHLLOKOSA-N 1 0 380.455 3.903 20 30 GHEDRO COc1cc(C#N)cc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)c1OC(C)=O ZINC001171169629 901941718 /nfs/dbraw/zinc/94/17/18/901941718.db2.gz QQYBCAZTTGBMGV-AWEZNQCLSA-N 1 0 377.444 3.634 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000576327088 901952516 /nfs/dbraw/zinc/95/25/16/901952516.db2.gz HRLNRWNETUYIJE-FIXSFTCYSA-N 1 0 375.516 3.551 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001171178903 902121379 /nfs/dbraw/zinc/12/13/79/902121379.db2.gz LSOVDRISFIFRHJ-LLUDDFSJSA-N 1 0 383.536 3.972 20 30 GHEDRO [NH2+]=C(Nc1cnc2c(Br)cccn12)c1ccc2cc(O)ccc2c1 ZINC001171181798 902135410 /nfs/dbraw/zinc/13/54/10/902135410.db2.gz CEDZSWFSBPGMPX-UHFFFAOYSA-N 1 0 381.233 3.993 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)CC1 ZINC001171198370 902363131 /nfs/dbraw/zinc/36/31/31/902363131.db2.gz LGNNNSJTSUMGKQ-SSKFGXFMSA-N 1 0 379.479 3.959 20 30 GHEDRO C#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001144569702 902400991 /nfs/dbraw/zinc/40/09/91/902400991.db2.gz XLLSNNOQVRWHTH-RPBOFIJWSA-N 1 0 378.560 3.628 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1 ZINC001144572136 902403808 /nfs/dbraw/zinc/40/38/08/902403808.db2.gz RDZKUJFHUBAIRH-RPWUZVMVSA-N 1 0 376.500 3.651 20 30 GHEDRO N#C[C@H]1N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CCC[C@@]12CCCCO2 ZINC000334117010 902565270 /nfs/dbraw/zinc/56/52/70/902565270.db2.gz HYQREFAXICJJSN-GGAORHGYSA-N 1 0 381.520 3.740 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846007605 902587719 /nfs/dbraw/zinc/58/77/19/902587719.db2.gz RAEOLKHGQBLEJV-QFIPXVFZSA-N 1 0 378.451 3.665 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001171211904 902695381 /nfs/dbraw/zinc/69/53/81/902695381.db2.gz ITTRIMYBZHIRGX-LJAMWKNPSA-N 1 0 393.531 3.694 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001171217260 902754566 /nfs/dbraw/zinc/75/45/66/902754566.db2.gz OJJUMZZDTYILTD-RKNIQEAPSA-N 1 0 398.547 3.554 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(OC)c1 ZINC000577422915 902758552 /nfs/dbraw/zinc/75/85/52/902758552.db2.gz USOTZMALSITPKM-IFMALSPDSA-N 1 0 399.506 3.867 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001171217902 902772689 /nfs/dbraw/zinc/77/26/89/902772689.db2.gz SETHQOUVZJWGMT-IBURTVSXSA-N 1 0 391.515 3.580 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001171218027 902775208 /nfs/dbraw/zinc/77/52/08/902775208.db2.gz SVOKNXKXQLHJKL-CJAUYULYSA-N 1 0 385.511 3.890 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000264194851 902910363 /nfs/dbraw/zinc/91/03/63/902910363.db2.gz GUDQEWNFUQZFDJ-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000264428166 903086349 /nfs/dbraw/zinc/08/63/49/903086349.db2.gz ZBCUDBPTTZIFFF-UHFFFAOYSA-N 1 0 399.457 3.605 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000264530078 903175877 /nfs/dbraw/zinc/17/58/77/903175877.db2.gz ZXXPKWTUCDHYEG-UHFFFAOYSA-N 1 0 375.925 3.773 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132126651 903210618 /nfs/dbraw/zinc/21/06/18/903210618.db2.gz WMVQRJRGJOMBSW-DENIHFKCSA-N 1 0 391.515 3.643 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)ccc1C#N ZINC000577803470 903213024 /nfs/dbraw/zinc/21/30/24/903213024.db2.gz UAZWDLWUVKRAGM-OAHLLOKOSA-N 1 0 385.895 3.747 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1ccccc1CC#N)[NH+]1CCCCC1 ZINC000601002825 903213105 /nfs/dbraw/zinc/21/31/05/903213105.db2.gz XSDBEAPBZPSAAE-NRFANRHFSA-N 1 0 377.488 3.718 20 30 GHEDRO COc1cc(C[NH+]2CCC(C(C)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000846946141 903339233 /nfs/dbraw/zinc/33/92/33/903339233.db2.gz HEORGWUEGDQPMP-UHFFFAOYSA-N 1 0 378.472 3.947 20 30 GHEDRO C[C@H](CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000577969958 903399681 /nfs/dbraw/zinc/39/96/81/903399681.db2.gz GIZLHCOZTJLLQB-QGZVFWFLSA-N 1 0 379.479 3.756 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C[NH+](C)C ZINC000887675606 903426025 /nfs/dbraw/zinc/42/60/25/903426025.db2.gz BQCGONHPRBJJGT-KRWDZBQOSA-N 1 0 380.492 3.651 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CCc2ccc(Br)cc2)C1=O ZINC001275548813 914717851 /nfs/dbraw/zinc/71/78/51/914717851.db2.gz LCMUDXKYGSLBEO-LJQANCHMSA-N 1 0 377.326 3.635 20 30 GHEDRO CSc1ncc2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)nc2n1 ZINC001171274709 903471855 /nfs/dbraw/zinc/47/18/55/903471855.db2.gz MXINRMNBHUHQGG-UHFFFAOYSA-N 1 0 390.516 3.717 20 30 GHEDRO N#CC1(Nc2ncnc3sc([N+](=O)[O-])cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171274768 903472252 /nfs/dbraw/zinc/47/22/52/903472252.db2.gz HCJVUVAZGWJIKZ-UHFFFAOYSA-N 1 0 394.460 3.570 20 30 GHEDRO COc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1OCCCC#N ZINC000265271930 903767653 /nfs/dbraw/zinc/76/76/53/903767653.db2.gz UODPFZRITRLFGH-IBGZPJMESA-N 1 0 393.487 3.552 20 30 GHEDRO O=C(NCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1)C1N=CC=CC1=O ZINC000772982156 903836523 /nfs/dbraw/zinc/83/65/23/903836523.db2.gz FUALSFDFUTZJLM-XJUMHSELSA-N 1 0 395.890 3.740 20 30 GHEDRO CC(C)[N@H+](CCc1nccs1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000159739834 904013873 /nfs/dbraw/zinc/01/38/73/904013873.db2.gz SVAKLFXPUDQRLD-INIZCTEOSA-N 1 0 391.500 3.633 20 30 GHEDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000578802104 904132014 /nfs/dbraw/zinc/13/20/14/904132014.db2.gz MBYRCBVRSBNZOS-WZONZLPQSA-N 1 0 391.515 3.537 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000578860667 904188505 /nfs/dbraw/zinc/18/85/05/904188505.db2.gz AVPAKWRIIZDLEK-XJUOHMSHSA-N 1 0 385.479 3.804 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000152485792 904274788 /nfs/dbraw/zinc/27/47/88/904274788.db2.gz YKQBIYVIVZTPCC-MAUKXSAKSA-N 1 0 383.442 3.962 20 30 GHEDRO C#CCSCC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779117111 904297131 /nfs/dbraw/zinc/29/71/31/904297131.db2.gz PNXINCZQUPVDIA-IBGZPJMESA-N 1 0 393.961 3.789 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCc4c(F)cc(F)cc4C3)CC2)c1 ZINC001171355882 904344659 /nfs/dbraw/zinc/34/46/59/904344659.db2.gz VCYLDWUYADKCRO-NRFANRHFSA-N 1 0 381.470 3.948 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC000779122133 904376110 /nfs/dbraw/zinc/37/61/10/904376110.db2.gz KJMIHHVCZXHSNA-UHFFFAOYSA-N 1 0 399.535 3.746 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC000773042486 904393123 /nfs/dbraw/zinc/39/31/23/904393123.db2.gz BFBLKPNALRPKPD-AUSIDOKSSA-N 1 0 376.500 3.583 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001171375576 904402517 /nfs/dbraw/zinc/40/25/17/904402517.db2.gz ACUDSSMFGFBJQJ-QGZVFWFLSA-N 1 0 379.504 3.988 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(C(=O)Nc1cccc(C#N)c1)CC2 ZINC001202781325 904476833 /nfs/dbraw/zinc/47/68/33/904476833.db2.gz IZALPPCCPAMJHW-UHFFFAOYSA-N 1 0 393.491 3.826 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C3\CCc4ccc([N+](=O)[O-])cc4C3=O)cc2)CC1 ZINC000773147956 904484557 /nfs/dbraw/zinc/48/45/57/904484557.db2.gz CGRLKXHRGOCRLI-NBVRZTHBSA-N 1 0 377.444 3.559 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(Oc3cccc(F)c3)nc2)cc1OC ZINC000104183243 904550358 /nfs/dbraw/zinc/55/03/58/904550358.db2.gz YXKJHPCZIGSBSP-UHFFFAOYSA-N 1 0 396.422 3.957 20 30 GHEDRO C#CCCCCC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000773233440 904599261 /nfs/dbraw/zinc/59/92/61/904599261.db2.gz OZCUXBWTZJINQY-UHFFFAOYSA-N 1 0 395.469 3.527 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000579676139 904803337 /nfs/dbraw/zinc/80/33/37/904803337.db2.gz KHSLIHOBODBVEG-BBTUJRGHSA-N 1 0 390.535 3.559 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001171841400 905092166 /nfs/dbraw/zinc/09/21/66/905092166.db2.gz OOUGMPDQHPROTG-IBGZPJMESA-N 1 0 397.441 3.744 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC12CCC2 ZINC001171848283 905095951 /nfs/dbraw/zinc/09/59/51/905095951.db2.gz ODDAYCZOZYXQED-JKSUJKDBSA-N 1 0 378.538 3.583 20 30 GHEDRO CCOC(=O)C1(C)CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001171935939 905191800 /nfs/dbraw/zinc/19/18/00/905191800.db2.gz NNYZVJCFXMBIIM-UHFFFAOYSA-N 1 0 383.536 3.624 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000801552432 921124788 /nfs/dbraw/zinc/12/47/88/921124788.db2.gz BJMFSHPTNBDHJI-UHFFFAOYSA-N 1 0 390.409 3.563 20 30 GHEDRO C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000174429670 905270305 /nfs/dbraw/zinc/27/03/05/905270305.db2.gz WXHXJIYQXDBEIH-SFHVURJKSA-N 1 0 387.487 3.705 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000801570078 921140734 /nfs/dbraw/zinc/14/07/34/921140734.db2.gz ATQLJLWJFSGYPP-HXUWFJFHSA-N 1 0 377.488 3.534 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001172301365 905454727 /nfs/dbraw/zinc/45/47/27/905454727.db2.gz NIIZIRFZFWZSIS-HCLVMJGWSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001172305160 905458959 /nfs/dbraw/zinc/45/89/59/905458959.db2.gz QPGTYOZSTKMYLT-SBUREZEXSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001172306519 905461207 /nfs/dbraw/zinc/46/12/07/905461207.db2.gz XGNSZWANPSCVNL-XMSQKQJNSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001172307512 905463468 /nfs/dbraw/zinc/46/34/68/905463468.db2.gz HPXQRFMFRXDWAD-AIZKBTNYSA-N 1 0 377.488 3.585 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]12 ZINC001172307498 905463582 /nfs/dbraw/zinc/46/35/82/905463582.db2.gz HKWCHRSUGSLCLU-OWAUWMPXSA-N 1 0 387.527 3.754 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001172313196 905469558 /nfs/dbraw/zinc/46/95/58/905469558.db2.gz RCWQOAGLPWYGCD-KRWDZBQOSA-N 1 0 382.529 3.772 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001172299991 905484067 /nfs/dbraw/zinc/48/40/67/905484067.db2.gz QQKYQFMPUYWQFF-QGZVFWFLSA-N 1 0 379.479 3.770 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)CCO[C@@H](C)CC)CC2 ZINC001172331767 905497365 /nfs/dbraw/zinc/49/73/65/905497365.db2.gz RLJDXLZWLOFSJT-MSOLQXFVSA-N 1 0 375.557 3.948 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001172354510 905524678 /nfs/dbraw/zinc/52/46/78/905524678.db2.gz IJPALYVCIQHTTI-UNMCSNQZSA-N 1 0 390.572 3.523 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc1O2 ZINC001172497866 905599401 /nfs/dbraw/zinc/59/94/01/905599401.db2.gz GOZLUPHNHVXWEQ-OALUTQOASA-N 1 0 383.536 3.948 20 30 GHEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC001172506021 905601871 /nfs/dbraw/zinc/60/18/71/905601871.db2.gz ZHSLMYYJVCVLBR-XAPVIXHLSA-N 1 0 382.589 3.852 20 30 GHEDRO CCCC[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(F)cn2)CCN1C(=O)OC(C)(C)C ZINC001172634428 905695838 /nfs/dbraw/zinc/69/58/38/905695838.db2.gz KMKKKVBHNLPPET-JKSUJKDBSA-N 1 0 378.492 3.884 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nc(-c3ccco3)nc2SC)CC1 ZINC000176244620 905794270 /nfs/dbraw/zinc/79/42/70/905794270.db2.gz FSCLDHHIVNGLLU-UHFFFAOYSA-N 1 0 386.521 3.537 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C[C@H]1C#N ZINC001172969369 906031638 /nfs/dbraw/zinc/03/16/38/906031638.db2.gz XXJFAACFSDRKLA-GJZGRUSLSA-N 1 0 381.423 3.669 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1OC ZINC000628272816 906035718 /nfs/dbraw/zinc/03/57/18/906035718.db2.gz ZIAMDCZNZRFVDU-KBPBESRZSA-N 1 0 393.833 3.906 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2c3ccccc3c3c2C[C@@H]([NH3+])C3)C[C@H]1C#N ZINC001172976341 906042648 /nfs/dbraw/zinc/04/26/48/906042648.db2.gz OJMMOWYMADALCY-JYJNAYRXSA-N 1 0 380.492 3.531 20 30 GHEDRO COc1cccc(CC2([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CC2)c1 ZINC001172978969 906045915 /nfs/dbraw/zinc/04/59/15/906045915.db2.gz UPGVBIKPECXGPB-MSOLQXFVSA-N 1 0 385.508 3.652 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(Oc3ccccc3)CC2)C[C@H]1C#N ZINC001172980971 906048003 /nfs/dbraw/zinc/04/80/03/906048003.db2.gz RMJCVWLQYVISRW-ROUUACIJSA-N 1 0 385.508 3.821 20 30 GHEDRO COc1cc(OC)cc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172985885 906051529 /nfs/dbraw/zinc/05/15/29/906051529.db2.gz QZXXSXJXBLVKGC-UAGQMJEPSA-N 1 0 389.496 3.646 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C2 ZINC001172960123 906068761 /nfs/dbraw/zinc/06/87/61/906068761.db2.gz VZIGOGWQJLGRMD-GCJKJVERSA-N 1 0 393.572 3.665 20 30 GHEDRO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992643 906103937 /nfs/dbraw/zinc/10/39/37/906103937.db2.gz CIWMAGLFAQPYRW-SJORKVTESA-N 1 0 387.480 3.529 20 30 GHEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001173212920 906329236 /nfs/dbraw/zinc/32/92/36/906329236.db2.gz CTDDZJMZNHSHHY-KRWDZBQOSA-N 1 0 378.476 3.652 20 30 GHEDRO C=CCOC1CCC([NH2+][C@@H]2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173311673 906364342 /nfs/dbraw/zinc/36/43/42/906364342.db2.gz NQZANKJGVXURGA-JLHLRHAYSA-N 1 0 394.556 3.648 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CC1 ZINC001173321438 906370488 /nfs/dbraw/zinc/37/04/88/906370488.db2.gz LXPLJYUNCWMJHH-UHFFFAOYSA-N 1 0 383.536 3.552 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)CC1 ZINC001173321429 906370565 /nfs/dbraw/zinc/37/05/65/906370565.db2.gz LTWJRZKVLJVMQN-UHFFFAOYSA-N 1 0 383.536 3.524 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)CC1 ZINC001173323963 906371806 /nfs/dbraw/zinc/37/18/06/906371806.db2.gz KBQBZPHKFOATCN-UHFFFAOYSA-N 1 0 397.563 3.861 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCCC[C@@H]2[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173326045 906373618 /nfs/dbraw/zinc/37/36/18/906373618.db2.gz RDDAKNGUACCCAS-UEWYOLLUSA-N 1 0 391.556 3.997 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](C[NH2+]C3CCC(CC#N)CC3)CO2)C1 ZINC001173325584 906374016 /nfs/dbraw/zinc/37/40/16/906374016.db2.gz KXCZJHMRUJIDEA-LAKQMRRBSA-N 1 0 391.556 3.855 20 30 GHEDRO N#CCC1CCC([NH2+][C@H]2Cc3ccc(I)cc3C2)CC1 ZINC001173330563 906375945 /nfs/dbraw/zinc/37/59/45/906375945.db2.gz SNJYLCBSPFDQOG-SEFLRBGSSA-N 1 0 380.273 3.820 20 30 GHEDRO CCOC(=O)C1=C(NC2CCC(CC#N)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001173328910 906376318 /nfs/dbraw/zinc/37/63/18/906376318.db2.gz SJXFEJULZBZLQJ-UHFFFAOYSA-N 1 0 381.520 3.772 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001173315354 906388711 /nfs/dbraw/zinc/38/87/11/906388711.db2.gz LBDHUCHEJNIZFT-KLAILNCOSA-N 1 0 388.499 3.982 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)O2)CC1 ZINC001173318633 906388772 /nfs/dbraw/zinc/38/87/72/906388772.db2.gz GSRRVZRJSZPJGZ-ABHNRTSZSA-N 1 0 382.545 3.504 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C1 ZINC001173359341 906394999 /nfs/dbraw/zinc/39/49/99/906394999.db2.gz MEFBEBBDIJSDSH-NRFANRHFSA-N 1 0 399.498 3.991 20 30 GHEDRO N#C[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001173397461 906424806 /nfs/dbraw/zinc/42/48/06/906424806.db2.gz WOFKEXIOUZWVPZ-HNNXBMFYSA-N 1 0 390.325 3.679 20 30 GHEDRO N#Cc1ccc2c(c1)CC[N@@H+](C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001173415511 906445809 /nfs/dbraw/zinc/44/58/09/906445809.db2.gz CWLMETXKICZMMS-UHFFFAOYSA-N 1 0 379.891 3.875 20 30 GHEDRO CC[N@H+](Cc1cccc(F)c1F)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173436671 906451374 /nfs/dbraw/zinc/45/13/74/906451374.db2.gz ZYEXHRKJAQOXBY-UHFFFAOYSA-N 1 0 383.442 3.963 20 30 GHEDRO CC1(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCC(F)(F)CC1 ZINC001173427597 906463508 /nfs/dbraw/zinc/46/35/08/906463508.db2.gz PPGZOMDBPOHIEI-UHFFFAOYSA-N 1 0 375.463 3.968 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]C3(Cc4cccc(F)c4)CC3)CC2)cc1 ZINC001173428266 906465201 /nfs/dbraw/zinc/46/52/01/906465201.db2.gz ZOTSWBHNWIBPTK-UHFFFAOYSA-N 1 0 377.463 3.667 20 30 GHEDRO COc1cccc([C@H](C)C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173429183 906466787 /nfs/dbraw/zinc/46/67/87/906466787.db2.gz NEMONHIQIMXIEM-QGZVFWFLSA-N 1 0 377.488 3.565 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](c3cccnc3Cl)C3CC3)CC2)cc1 ZINC001173429973 906466919 /nfs/dbraw/zinc/46/69/19/906466919.db2.gz ZPUVKKQEEOXAAX-HXUWFJFHSA-N 1 0 394.906 3.952 20 30 GHEDRO C=CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000190977538 906499419 /nfs/dbraw/zinc/49/94/19/906499419.db2.gz QSPMEQSVBWQHOM-DHIUTWEWSA-N 1 0 378.516 3.754 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173520269 906522046 /nfs/dbraw/zinc/52/20/46/906522046.db2.gz ONGNNUAISQINDG-FGZHOGPDSA-N 1 0 392.499 3.521 20 30 GHEDRO CCOC(=O)C1=C(NC2CCC(C)(C#N)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001173588729 906545490 /nfs/dbraw/zinc/54/54/90/906545490.db2.gz QBOZNRYOSKEAKX-UHFFFAOYSA-N 1 0 381.520 3.772 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)CC1 ZINC001173594399 906546561 /nfs/dbraw/zinc/54/65/61/906546561.db2.gz BTKFXGNKDLOPPD-XPIBGNQMSA-N 1 0 375.538 3.612 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CC1 ZINC001173595014 906549166 /nfs/dbraw/zinc/54/91/66/906549166.db2.gz PUBAOOHIFRSBDP-OADNRJCRSA-N 1 0 385.577 3.837 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000179757110 906586624 /nfs/dbraw/zinc/58/66/24/906586624.db2.gz FWMZGFKALCPDML-UHFFFAOYSA-N 1 0 389.503 3.544 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000180043740 906673933 /nfs/dbraw/zinc/67/39/33/906673933.db2.gz UUSFOJBRICIIMG-GOSISDBHSA-N 1 0 392.503 3.806 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180075269 906682390 /nfs/dbraw/zinc/68/23/90/906682390.db2.gz VKXKPUJUICXARQ-ICSRJNTNSA-N 1 0 392.503 3.664 20 30 GHEDRO C[NH+](C)Cc1ccccc1Nc1cc(C#N)ccc1I ZINC001173931285 906755826 /nfs/dbraw/zinc/75/58/26/906755826.db2.gz CTVYDFJPOHAXQM-UHFFFAOYSA-N 1 0 377.229 3.968 20 30 GHEDRO CCN(CC)C(=O)c1cccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c1 ZINC001174166112 906841841 /nfs/dbraw/zinc/84/18/41/906841841.db2.gz JRPMQEGICWCWSZ-UHFFFAOYSA-N 1 0 391.519 3.536 20 30 GHEDRO CCC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1 ZINC000180871816 906867143 /nfs/dbraw/zinc/86/71/43/906867143.db2.gz ZQGHCKACTYZQRL-DVEDPGPFSA-N 1 0 382.291 3.951 20 30 GHEDRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1C ZINC000180880816 906870965 /nfs/dbraw/zinc/87/09/65/906870965.db2.gz OMINGKFRJUUIBJ-HGJUWQSKSA-N 1 0 389.499 3.703 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000180888560 906872373 /nfs/dbraw/zinc/87/23/73/906872373.db2.gz BDYNFKOOFQWAFP-UHFFFAOYSA-N 1 0 375.476 3.821 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3Br)CC2)C1=O ZINC001276008438 921275852 /nfs/dbraw/zinc/27/58/52/921275852.db2.gz UPJZZSIJJYZSSO-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000181393885 906989359 /nfs/dbraw/zinc/98/93/59/906989359.db2.gz UZMIFWWSXJVEBG-QFIPXVFZSA-N 1 0 378.520 3.542 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000181419914 906996163 /nfs/dbraw/zinc/99/61/63/906996163.db2.gz YDTMDMYGHIMPLB-AWEZNQCLSA-N 1 0 396.878 3.628 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3Cn3cccn3)CC2)cc1 ZINC000181424714 906998194 /nfs/dbraw/zinc/99/81/94/906998194.db2.gz FXBMNWWLAWNRTG-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000181570946 907027991 /nfs/dbraw/zinc/02/79/91/907027991.db2.gz QBBGGQRMOIFPBM-NRFANRHFSA-N 1 0 392.522 3.778 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC000182155552 907147076 /nfs/dbraw/zinc/14/70/76/907147076.db2.gz DRNDMQPIVWONHD-PKTZIBPZSA-N 1 0 397.469 3.921 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c(C#N)c1C ZINC000183601579 907420128 /nfs/dbraw/zinc/42/01/28/907420128.db2.gz VOFDPZXMQIPCMD-HUUCEWRRSA-N 1 0 377.448 3.632 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1Cl ZINC000185069925 907708338 /nfs/dbraw/zinc/70/83/38/907708338.db2.gz DKFVSBFJPDVGCW-UHFFFAOYSA-N 1 0 391.874 3.565 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000779605284 907861480 /nfs/dbraw/zinc/86/14/80/907861480.db2.gz AHVGUTAQUIMFTF-UHFFFAOYSA-N 1 0 390.281 3.694 20 30 GHEDRO COc1cc2c(cc1OC)C1(CCC1)[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC001176193017 907967762 /nfs/dbraw/zinc/96/77/62/907967762.db2.gz IZVNRTLNSSQXDH-FQEVSTJZSA-N 1 0 378.472 3.546 20 30 GHEDRO CC(C)(C)c1cnc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000186812365 907987616 /nfs/dbraw/zinc/98/76/16/907987616.db2.gz WRZUXKIDMOATMF-UHFFFAOYSA-N 1 0 394.519 3.511 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC001176274510 908007924 /nfs/dbraw/zinc/00/79/24/908007924.db2.gz YCPASPFWFUBXDV-ROUUACIJSA-N 1 0 382.533 3.733 20 30 GHEDRO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001176505970 908146050 /nfs/dbraw/zinc/14/60/50/908146050.db2.gz YAMRQZZKQGDMCO-RDTXWAMCSA-N 1 0 389.565 3.746 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000633041660 908194125 /nfs/dbraw/zinc/19/41/25/908194125.db2.gz NYFYIGZXMOPICC-QFIPXVFZSA-N 1 0 378.520 3.705 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000779725872 908349451 /nfs/dbraw/zinc/34/94/51/908349451.db2.gz GUMPLEKVMAKTPK-KRWDZBQOSA-N 1 0 394.544 3.928 20 30 GHEDRO CCc1ccc2c(c1)CCN([C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC001177008412 908361133 /nfs/dbraw/zinc/36/11/33/908361133.db2.gz JSEDNGAWXFFHSV-SFHVURJKSA-N 1 0 391.515 3.951 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001177215941 908469249 /nfs/dbraw/zinc/46/92/49/908469249.db2.gz JGEUNWYTXNEEFK-GIWBLDEGSA-N 1 0 385.552 3.938 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622293 908510504 /nfs/dbraw/zinc/51/05/04/908510504.db2.gz LIMWBCZTZGNTNM-UZUQRXQVSA-N 1 0 399.498 3.504 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC1 ZINC000190748564 908522828 /nfs/dbraw/zinc/52/28/28/908522828.db2.gz QXFIKUSWQIRJFI-UHFFFAOYSA-N 1 0 396.457 3.727 20 30 GHEDRO Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1C#N ZINC001177354710 908551034 /nfs/dbraw/zinc/55/10/34/908551034.db2.gz XOGKLWCVQGBOJH-FQEVSTJZSA-N 1 0 383.442 3.640 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000191490078 908630996 /nfs/dbraw/zinc/63/09/96/908630996.db2.gz STPHRYCPOVZGHB-FQEVSTJZSA-N 1 0 384.568 3.782 20 30 GHEDRO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000193728695 908657183 /nfs/dbraw/zinc/65/71/83/908657183.db2.gz ZKGZTKNGCWPREQ-QGZVFWFLSA-N 1 0 395.478 3.570 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634378766 908697881 /nfs/dbraw/zinc/69/78/81/908697881.db2.gz UODZNWCIPFOFDY-UHFFFAOYSA-N 1 0 385.478 3.804 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000195534528 909016639 /nfs/dbraw/zinc/01/66/39/909016639.db2.gz QPFMVDMFTIGWFA-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO COCCC[N@H+](C)CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000266175562 909027419 /nfs/dbraw/zinc/02/74/19/909027419.db2.gz VWYXEKCESYNQCR-UHFFFAOYSA-N 1 0 397.544 3.549 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000195635171 909027927 /nfs/dbraw/zinc/02/79/27/909027927.db2.gz UGLDPTAVNDKCPN-FQEVSTJZSA-N 1 0 378.476 3.916 20 30 GHEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001178464031 909065803 /nfs/dbraw/zinc/06/58/03/909065803.db2.gz VFFPACGEYVTHMM-UHFFFAOYSA-N 1 0 376.508 3.817 20 30 GHEDRO Cc1csc(C2(N[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CCC2)n1 ZINC000266449010 909167672 /nfs/dbraw/zinc/16/76/72/909167672.db2.gz IXJBJYDCJRVEOA-HNNXBMFYSA-N 1 0 386.496 3.895 20 30 GHEDRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2csc(C#N)c2)cc1Br ZINC001178743000 909212278 /nfs/dbraw/zinc/21/22/78/909212278.db2.gz YIRLSMFEXMXCPJ-CQSZACIVSA-N 1 0 379.323 3.632 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC001179579139 909590164 /nfs/dbraw/zinc/59/01/64/909590164.db2.gz KNXCHSMINSOTTQ-MRXNPFEDSA-N 1 0 390.350 3.760 20 30 GHEDRO N#Cc1ccc(CN(C(=O)C(F)(F)C(F)(F)Cl)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001179781678 909707051 /nfs/dbraw/zinc/70/70/51/909707051.db2.gz LQFIJYMSEIJOSH-HDJSIYSDSA-N 1 0 391.796 3.624 20 30 GHEDRO C=CC[N@@H+](Cc1cn(CC(=O)OCC)nc1-c1cccnc1)Cc1ccccc1 ZINC001179997042 909860526 /nfs/dbraw/zinc/86/05/26/909860526.db2.gz BBQVLIXTHGYYSF-UHFFFAOYSA-N 1 0 390.487 3.696 20 30 GHEDRO N#Cc1ccccc1N1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001180509200 910219147 /nfs/dbraw/zinc/21/91/47/910219147.db2.gz BGGBUCXMOQJBOH-QFIPXVFZSA-N 1 0 394.563 3.545 20 30 GHEDRO Cc1cc(N2CC[C@@H]([NH2+]C3CCC(C#N)CC3)C2=O)ccc1Br ZINC001180634035 910278056 /nfs/dbraw/zinc/27/80/56/910278056.db2.gz QDKOOKPVIWAMOX-MQBCKMQZSA-N 1 0 376.298 3.535 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000269587885 910311630 /nfs/dbraw/zinc/31/16/30/910311630.db2.gz CGXYWCDPKTWQAO-SJORKVTESA-N 1 0 377.492 3.539 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000639275907 910372969 /nfs/dbraw/zinc/37/29/69/910372969.db2.gz UDZGJJXJKYECCW-KXBFYZLASA-N 1 0 387.505 3.517 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(CC)([NH+](C)C)CC2)cc1 ZINC000639587250 910532871 /nfs/dbraw/zinc/53/28/71/910532871.db2.gz UWUZBSWZFMSMBL-UHFFFAOYSA-N 1 0 398.551 3.839 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)c1ccccc1 ZINC000246855623 910707141 /nfs/dbraw/zinc/70/71/41/910707141.db2.gz ARDHYXIEWGMKCY-NHCUHLMSSA-N 1 0 395.503 3.895 20 30 GHEDRO COc1ccc(OC)c([C@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000271059454 910770310 /nfs/dbraw/zinc/77/03/10/910770310.db2.gz FTYOVJGFBICVEI-JRSYVHTFSA-N 1 0 380.488 3.731 20 30 GHEDRO CN(C)C(=O)c1cccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000271069865 910773722 /nfs/dbraw/zinc/77/37/22/910773722.db2.gz LCCOIRMYZWEYJJ-UHFFFAOYSA-N 1 0 375.516 3.925 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000274473983 911344393 /nfs/dbraw/zinc/34/43/93/911344393.db2.gz YXBWBCBGFMVCGD-LJQANCHMSA-N 1 0 390.528 3.795 20 30 GHEDRO C#Cc1cccc(NC(=O)CN(C)Cc2ccccc2OCc2ccccn2)c1 ZINC000092143408 911421517 /nfs/dbraw/zinc/42/15/17/911421517.db2.gz ISBQFIBVDBWKQB-UHFFFAOYSA-N 1 0 385.467 3.712 20 30 GHEDRO COc1ccc(N2CCC[N@H+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000092380782 911506055 /nfs/dbraw/zinc/50/60/55/911506055.db2.gz JMOKAGIDXKRKFE-UHFFFAOYSA-N 1 0 378.520 3.757 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc(C#N)c1 ZINC000466803134 911815300 /nfs/dbraw/zinc/81/53/00/911815300.db2.gz ATCQTDGFNKQAAO-QHCPKHFHSA-N 1 0 390.531 3.654 20 30 GHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(C)cc2)c1C ZINC000284387877 911848620 /nfs/dbraw/zinc/84/86/20/911848620.db2.gz MJETUCMKJUHZQD-UHFFFAOYSA-O 1 0 384.525 3.511 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000801971990 921710916 /nfs/dbraw/zinc/71/09/16/921710916.db2.gz VFPSGFIEBNSBPW-UHFFFAOYSA-N 1 0 393.878 3.988 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNC(=O)[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001182800087 912031246 /nfs/dbraw/zinc/03/12/46/912031246.db2.gz LNFKYOZUEAUOOS-KKSFZXQISA-N 1 0 399.922 3.751 20 30 GHEDRO CC(C)(C)OC(=O)NC1(CC[NH2+]C(C)(C)c2cccc(C#N)c2)CCOCC1 ZINC001182872903 912093162 /nfs/dbraw/zinc/09/31/62/912093162.db2.gz HKJBDHYUWDVZKH-UHFFFAOYSA-N 1 0 387.524 3.847 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccccc1NC(=O)c1cccnc1Cl ZINC001183027369 912200454 /nfs/dbraw/zinc/20/04/54/912200454.db2.gz OUUXAPNECHVKMA-UHFFFAOYSA-N 1 0 384.867 3.578 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[NH+]1CCC(C)CC1 ZINC000303600823 914998400 /nfs/dbraw/zinc/99/84/00/914998400.db2.gz VBKDEOIHTBDYIT-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000303786490 915127640 /nfs/dbraw/zinc/12/76/40/915127640.db2.gz RLMNCRJLHWDIQQ-UHFFFAOYSA-N 1 0 381.476 3.705 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000303865841 915224670 /nfs/dbraw/zinc/22/46/70/915224670.db2.gz BUGGMZNERZXBNT-AWEZNQCLSA-N 1 0 382.291 3.722 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cc(F)cc(Br)c2)cc1OC ZINC000303886883 915298724 /nfs/dbraw/zinc/29/87/24/915298724.db2.gz OCRQKSQGOCYVHK-UHFFFAOYSA-N 1 0 382.233 3.532 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000303898693 915302490 /nfs/dbraw/zinc/30/24/90/915302490.db2.gz VPZFSNKYOCJMSR-UHFFFAOYSA-N 1 0 377.872 3.725 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH+]=C(Nc3ccccc3)N3CCCCC3)cn2)CCO1 ZINC000303900160 915304102 /nfs/dbraw/zinc/30/41/02/915304102.db2.gz SCBCSTCMWNQQGK-LJQANCHMSA-N 1 0 393.535 3.761 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)CSc2ccccc2OC)cc1OC ZINC000303975739 915344496 /nfs/dbraw/zinc/34/44/96/915344496.db2.gz JKIKZYSLDHQLNH-AWEZNQCLSA-N 1 0 389.521 3.867 20 30 GHEDRO COc1ccccc1N1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000303975765 915344684 /nfs/dbraw/zinc/34/46/84/915344684.db2.gz JKUDVPXMSUECFH-QGZVFWFLSA-N 1 0 382.508 3.736 20 30 GHEDRO COc1cccc(N2CC[C@H](CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)C2)c1 ZINC000303982247 915348346 /nfs/dbraw/zinc/34/83/46/915348346.db2.gz PZYIHOBINBPYBE-QGZVFWFLSA-N 1 0 382.508 3.736 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3c(F)cc(Cl)cc3F)CC2)C1=O ZINC001275635979 915497929 /nfs/dbraw/zinc/49/79/29/915497929.db2.gz BMYZGOSOGLDPJC-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2C#N)c1 ZINC001187898212 915583840 /nfs/dbraw/zinc/58/38/40/915583840.db2.gz PLDQPQYVAAPGAR-UHFFFAOYSA-N 1 0 399.560 3.967 20 30 GHEDRO COc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c(OC2CCCC2)c1 ZINC000304642711 915585692 /nfs/dbraw/zinc/58/56/92/915585692.db2.gz DAHQPFVFCKNPCF-HXUWFJFHSA-N 1 0 395.503 3.945 20 30 GHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC2CCC2)[n+]2cccc(C)c2)c1C ZINC000292301477 915608428 /nfs/dbraw/zinc/60/84/28/915608428.db2.gz KJOHFNLOIXYKQK-UHFFFAOYSA-O 1 0 384.525 3.511 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC2CCC2)cc1 ZINC000292379776 915644957 /nfs/dbraw/zinc/64/49/57/915644957.db2.gz UFRXVUFXBXCDPQ-UHFFFAOYSA-O 1 0 394.564 3.610 20 30 GHEDRO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Oc1ccc(Cl)cc1 ZINC000304811324 915722818 /nfs/dbraw/zinc/72/28/18/915722818.db2.gz XCTFWDQFXGWZNB-CYBMUJFWSA-N 1 0 375.856 3.695 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c(OC[C@@H]2CCOC2)c1 ZINC000304940021 915793042 /nfs/dbraw/zinc/79/30/42/915793042.db2.gz MVIACHKZFIGSKB-QGZVFWFLSA-N 1 0 379.504 3.826 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2ccccc2OC(F)(F)F)c1 ZINC000305009409 915834112 /nfs/dbraw/zinc/83/41/12/915834112.db2.gz JZJRVIQIJVWKFM-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO CCOc1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1OC(F)F ZINC000305011740 915834327 /nfs/dbraw/zinc/83/43/27/915834327.db2.gz KRBAFHYMJBNGLU-HNNXBMFYSA-N 1 0 391.418 3.615 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000775164395 915990623 /nfs/dbraw/zinc/99/06/23/915990623.db2.gz XTIPYQLJMWNFMX-DTWKUNHWSA-N 1 0 383.320 3.932 20 30 GHEDRO COc1ccc(OCCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000305239045 916012195 /nfs/dbraw/zinc/01/21/95/916012195.db2.gz PLKKNGPWIANOPV-UHFFFAOYSA-N 1 0 383.370 3.790 20 30 GHEDRO COc1cc2c(cc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)O[C@H](C)C2 ZINC000305227971 916012250 /nfs/dbraw/zinc/01/22/50/916012250.db2.gz KZXKMFFXNLOHSD-LLVKDONJSA-N 1 0 395.381 3.844 20 30 GHEDRO N#C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000293534838 916252836 /nfs/dbraw/zinc/25/28/36/916252836.db2.gz UGXTVNOKSHIMMO-KNQAVFIVSA-N 1 0 380.536 3.732 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)C1 ZINC000293559161 916266552 /nfs/dbraw/zinc/26/65/52/916266552.db2.gz LZPAGVXLHXZQIE-BBRMVZONSA-N 1 0 381.289 3.962 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001188995534 916327569 /nfs/dbraw/zinc/32/75/69/916327569.db2.gz VSNSHBBUMAMSMG-AVRDEDQJSA-N 1 0 384.545 3.604 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1OCCCC#N ZINC000293778195 916376198 /nfs/dbraw/zinc/37/61/98/916376198.db2.gz ZBMRSZSGHMFWIE-NRFANRHFSA-N 1 0 383.492 3.622 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccc(N2CCOC2=O)c1 ZINC000775259591 916697739 /nfs/dbraw/zinc/69/77/39/916697739.db2.gz CEQFSQIVNDUDDK-CYBMUJFWSA-N 1 0 387.386 3.967 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1Cl ZINC000294474589 916820647 /nfs/dbraw/zinc/82/06/47/916820647.db2.gz IVOXXOGPUZSJOI-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000775334974 916991724 /nfs/dbraw/zinc/99/17/24/916991724.db2.gz AYBRNZLIJMFLIJ-RKDXNWHRSA-N 1 0 383.320 3.932 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000295280630 917247936 /nfs/dbraw/zinc/24/79/36/917247936.db2.gz IVRLJJSKZVRCLT-SFHVURJKSA-N 1 0 379.504 3.531 20 30 GHEDRO N#Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1F ZINC001190545132 917401682 /nfs/dbraw/zinc/40/16/82/917401682.db2.gz JLAJVQMRGJYAJX-VQTJNVASSA-N 1 0 377.463 3.682 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC001190818434 917581599 /nfs/dbraw/zinc/58/15/99/917581599.db2.gz LNFRVYVXGNDJDA-QGZVFWFLSA-N 1 0 385.508 3.558 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000796472868 917601391 /nfs/dbraw/zinc/60/13/91/917601391.db2.gz ZAWYJPLTCVFXTR-AUUYWEPGSA-N 1 0 389.293 3.737 20 30 GHEDRO CN(C1CC[NH+](C2CCCCC2)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190962646 917667716 /nfs/dbraw/zinc/66/77/16/917667716.db2.gz JTPUUKQNLFVXEB-UHFFFAOYSA-N 1 0 395.956 3.629 20 30 GHEDRO C[C@H]1CN(CC[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@H](C)O1 ZINC001191637109 918086624 /nfs/dbraw/zinc/08/66/24/918086624.db2.gz ZYWWFSVSQFTWEJ-OALUTQOASA-N 1 0 381.495 3.809 20 30 GHEDRO COc1cccc(CN(C(=O)c2c(F)cc(C#N)cc2F)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001191951139 918315110 /nfs/dbraw/zinc/31/51/10/918315110.db2.gz XSOZREYTDZKGGH-QAQDUYKDSA-N 1 0 399.441 3.757 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000653952122 918629522 /nfs/dbraw/zinc/62/95/22/918629522.db2.gz GBRDWJBFBOZSLD-LEWJYISDSA-N 1 0 396.535 3.639 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc3cccc(Br)c32)CC1 ZINC000796602510 918785836 /nfs/dbraw/zinc/78/58/36/918785836.db2.gz MTXNWIYVRRMXBY-UHFFFAOYSA-N 1 0 385.305 3.820 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1sc(N2CCCC2)nc1Cl ZINC001275857145 918863939 /nfs/dbraw/zinc/86/39/39/918863939.db2.gz TVXIPGZBXNRLLO-HUUCEWRRSA-N 1 0 394.972 3.538 20 30 GHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114197929 919385476 /nfs/dbraw/zinc/38/54/76/919385476.db2.gz OHSFJSUIZLXEIL-UHFFFAOYSA-N 1 0 393.535 3.725 20 30 GHEDRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000116363097 919504614 /nfs/dbraw/zinc/50/46/14/919504614.db2.gz GWJQNNBMZHQHAI-FPOVZHCZSA-N 1 0 393.535 3.637 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000297725772 919671026 /nfs/dbraw/zinc/67/10/26/919671026.db2.gz NMOPMASINBGRFW-UNMCSNQZSA-N 1 0 399.579 3.703 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297925159 919966456 /nfs/dbraw/zinc/96/64/56/919966456.db2.gz YCYXCPHWGXGTAU-JOCHJYFZSA-N 1 0 399.579 3.562 20 30 GHEDRO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCN(CC(F)F)C2=O)CC1 ZINC001275957799 920221528 /nfs/dbraw/zinc/22/15/28/920221528.db2.gz WVZNFUHFSCOXGI-LJQANCHMSA-N 1 0 381.854 3.681 20 30 GHEDRO C[C@H](NC(=O)c1cccc(SCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364982382 920264954 /nfs/dbraw/zinc/26/49/54/920264954.db2.gz GAYGDKQNVDZRFD-PXNSSMCTSA-N 1 0 379.529 3.943 20 30 GHEDRO Oc1ccc(/C=N/[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(O)c1O ZINC000800790490 920464461 /nfs/dbraw/zinc/46/44/61/920464461.db2.gz MIQADAWZNUYBIX-IRWMFFANSA-N 1 0 388.467 3.891 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c(O)c1 ZINC000800790085 920464550 /nfs/dbraw/zinc/46/45/50/920464550.db2.gz BPWNTESNGYQQIP-SYVPYPDPSA-N 1 0 380.492 3.964 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000900646824 920484800 /nfs/dbraw/zinc/48/48/00/920484800.db2.gz OXDOOYRBVHFOEE-UHFFFAOYSA-N 1 0 392.503 3.723 20 30 GHEDRO N#CCOc1cccc(CC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000365595733 920989395 /nfs/dbraw/zinc/98/93/95/920989395.db2.gz OOAMVLSGLHCOAA-QFIPXVFZSA-N 1 0 391.515 3.550 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCC(O)(c4ccccc4)CC3)CC2)cc1 ZINC000367738330 922289192 /nfs/dbraw/zinc/28/91/92/922289192.db2.gz SZPPFLTVRIHLMH-UHFFFAOYSA-N 1 0 375.516 3.947 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2nc(N(C)C)n(-c3ccccc3)c2Cl)CC1 ZINC000802644831 922292687 /nfs/dbraw/zinc/29/26/87/922292687.db2.gz MUSHUFQELTXSJL-UHFFFAOYSA-N 1 0 387.959 3.722 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cc(C#N)ccn1 ZINC000903010606 922706784 /nfs/dbraw/zinc/70/67/84/922706784.db2.gz NZOJCVTYRWFXJZ-XJKSGUPXSA-N 1 0 379.414 3.761 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cnn(CC2CCC2)c1 ZINC000903196344 922844785 /nfs/dbraw/zinc/84/47/85/922844785.db2.gz MQWYYTHSSFPIFB-GOSISDBHSA-N 1 0 377.536 3.870 20 30 GHEDRO CN(c1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1)S(C)(=O)=O ZINC000903424308 923014487 /nfs/dbraw/zinc/01/44/87/923014487.db2.gz QSCNGGQKODXVSB-OAQYLSRUSA-N 1 0 383.517 3.511 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCSC1 ZINC000748648640 923762317 /nfs/dbraw/zinc/76/23/17/923762317.db2.gz YHSWQDLPDYLMAL-IRLDBZIGSA-N 1 0 394.544 3.901 20 30 GHEDRO N#CCC1CC[NH+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000543808397 924461151 /nfs/dbraw/zinc/46/11/51/924461151.db2.gz ZQZJRCWTCINPOS-QFIPXVFZSA-N 1 0 379.529 3.848 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000677948144 924558858 /nfs/dbraw/zinc/55/88/58/924558858.db2.gz KSLYANBSVDJBSG-UHFFFAOYSA-N 1 0 379.913 3.565 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)s2)cc1 ZINC000371438738 924581957 /nfs/dbraw/zinc/58/19/57/924581957.db2.gz LLEOYVRMWFXSCL-GOSISDBHSA-N 1 0 395.532 3.698 20 30 GHEDRO Cc1cc(C)c(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)[nH]1 ZINC001137327709 924687549 /nfs/dbraw/zinc/68/75/49/924687549.db2.gz COTRFMFJAJVPIC-HSZRJFAPSA-N 1 0 378.520 3.622 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)c1ccccc1 ZINC000678785377 924921773 /nfs/dbraw/zinc/92/17/73/924921773.db2.gz BAXGIWSLTPZLSH-INIZCTEOSA-N 1 0 380.448 3.781 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1C#N ZINC000827225098 925050148 /nfs/dbraw/zinc/05/01/48/925050148.db2.gz PUIVSRFJRZVOKR-IBGZPJMESA-N 1 0 384.480 3.862 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000827325739 925264333 /nfs/dbraw/zinc/26/43/33/925264333.db2.gz DDXLGKNVUXWDGA-JOCHJYFZSA-N 1 0 399.535 3.801 20 30 GHEDRO COc1cccc(C[N@H+](CCCC2(C#N)CCOCC2)C2CCC(O)CC2)c1 ZINC000410379119 925595272 /nfs/dbraw/zinc/59/52/72/925595272.db2.gz OGOVURWKEOFXNK-UHFFFAOYSA-N 1 0 386.536 3.901 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)c(OC)c(Cl)c3)C2)C1=O ZINC001276135585 925874162 /nfs/dbraw/zinc/87/41/62/925874162.db2.gz YAFLLNYISQEPKQ-LJQANCHMSA-N 1 0 397.302 3.529 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411169658 926162794 /nfs/dbraw/zinc/16/27/94/926162794.db2.gz UNQBOYGEJCOBMN-HNNXBMFYSA-N 1 0 396.447 3.714 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](CCO)Cc3ccccc3)sc2C1 ZINC000411222744 926219873 /nfs/dbraw/zinc/21/98/73/926219873.db2.gz JDOJCCLBZJESHO-MRXNPFEDSA-N 1 0 397.544 3.568 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)c1 ZINC000411469986 926429006 /nfs/dbraw/zinc/42/90/06/926429006.db2.gz NJTYHFWHPSYKHH-UHFFFAOYSA-N 1 0 385.467 3.959 20 30 GHEDRO COc1cccc(C2([NH2+]CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000411468673 926431337 /nfs/dbraw/zinc/43/13/37/926431337.db2.gz CPPMTRPGHORIOH-UHFFFAOYSA-N 1 0 381.501 3.725 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cncc(F)c1 ZINC000411509288 926473442 /nfs/dbraw/zinc/47/34/42/926473442.db2.gz WGYFPVQADDQJDL-OLZOCXBDSA-N 1 0 386.496 3.958 20 30 GHEDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2ccccn21 ZINC000411514788 926477620 /nfs/dbraw/zinc/47/76/20/926477620.db2.gz SPDCVDKKQNXFDV-QGZVFWFLSA-N 1 0 396.882 3.714 20 30 GHEDRO N#CC1(CC[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCCCC1 ZINC000411532707 926490504 /nfs/dbraw/zinc/49/05/04/926490504.db2.gz ZQCIOYAUDFYSGE-UHFFFAOYSA-N 1 0 396.495 3.847 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000374000244 926640766 /nfs/dbraw/zinc/64/07/66/926640766.db2.gz VJTXABUZMCJPIZ-QUCCMNQESA-N 1 0 382.533 3.545 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000411735716 926707186 /nfs/dbraw/zinc/70/71/86/926707186.db2.gz CSYLVMPOINHHFU-SFHVURJKSA-N 1 0 392.286 3.907 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000411783124 926765325 /nfs/dbraw/zinc/76/53/25/926765325.db2.gz HPPIOMWNINUZAK-QGZVFWFLSA-N 1 0 391.393 3.619 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(Cc3ccccc3)CCOCC2)cc1Cl ZINC000411807735 926805283 /nfs/dbraw/zinc/80/52/83/926805283.db2.gz YBUMVJGVLWQPOU-UHFFFAOYSA-N 1 0 397.906 3.922 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)CN3CCCC3)sc2C1 ZINC000411878990 926880641 /nfs/dbraw/zinc/88/06/41/926880641.db2.gz ROAWPNHUSFBUPU-OAHLLOKOSA-N 1 0 388.581 3.537 20 30 GHEDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000411959146 926943917 /nfs/dbraw/zinc/94/39/17/926943917.db2.gz YAOOXRBIJPAOJL-XCLFUZPHSA-N 1 0 375.538 3.620 20 30 GHEDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCC1 ZINC000412019510 927016898 /nfs/dbraw/zinc/01/68/98/927016898.db2.gz FOYWDIPXQJSXAY-KBPBESRZSA-N 1 0 375.538 3.620 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374369892 927063757 /nfs/dbraw/zinc/06/37/57/927063757.db2.gz WFDDEDQKWQPLKF-AEFFLSMTSA-N 1 0 387.549 3.768 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412069227 927067746 /nfs/dbraw/zinc/06/77/46/927067746.db2.gz NIMZUYIPMLUWLH-GOSISDBHSA-N 1 0 385.508 3.721 20 30 GHEDRO C=C(C)[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)c(F)c1 ZINC000412263446 927271849 /nfs/dbraw/zinc/27/18/49/927271849.db2.gz YEYWMXNIRAMTHN-VQIMIIECSA-N 1 0 380.504 3.916 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000412334488 927344897 /nfs/dbraw/zinc/34/48/97/927344897.db2.gz IIVCGZCKFXZNHK-JBRSBNLGSA-N 1 0 385.511 3.786 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CCCC3(C#N)CCOCC3)CCN2C2CC2)c1 ZINC000374792899 927528334 /nfs/dbraw/zinc/52/83/34/927528334.db2.gz JZIHFFFPAJAQRI-FGZHOGPDSA-N 1 0 383.536 3.663 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)ccc1F ZINC000374815798 927553389 /nfs/dbraw/zinc/55/33/89/927553389.db2.gz DDCJUFQMYGFQAU-QGZVFWFLSA-N 1 0 395.482 3.929 20 30 GHEDRO COc1ccccc1[C@@H](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896176 927667108 /nfs/dbraw/zinc/66/71/08/927667108.db2.gz PXMYGYLPANPGMM-IBGZPJMESA-N 1 0 391.515 3.863 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000375038603 927836486 /nfs/dbraw/zinc/83/64/86/927836486.db2.gz LOEMEYFXVNQJSK-QFIPXVFZSA-N 1 0 384.451 3.610 20 30 GHEDRO COC(=O)[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000751630711 928286517 /nfs/dbraw/zinc/28/65/17/928286517.db2.gz BGVDGUAZUBIQJY-NRFANRHFSA-N 1 0 392.455 3.615 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(C)ccc2Br)CC1 ZINC000413243780 928358722 /nfs/dbraw/zinc/35/87/22/928358722.db2.gz QEGQWURPRLEYSL-UHFFFAOYSA-N 1 0 380.330 3.597 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000752089390 928605879 /nfs/dbraw/zinc/60/58/79/928605879.db2.gz VBIPUKYXUQCTSL-UHFFFAOYSA-N 1 0 375.394 3.930 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000467088345 928683709 /nfs/dbraw/zinc/68/37/09/928683709.db2.gz BMHQKTSSPZMVAU-GOTSBHOMSA-N 1 0 390.531 3.772 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@H](C(CC)CC)[NH+](C)C)cc1C#N ZINC000752304901 928743469 /nfs/dbraw/zinc/74/34/69/928743469.db2.gz KJUHFMQQQYWZKV-GOSISDBHSA-N 1 0 389.500 3.615 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000753940167 929603320 /nfs/dbraw/zinc/60/33/20/929603320.db2.gz MXOTWHWOEBNFAM-VXKWHMMOSA-N 1 0 394.519 3.820 20 30 GHEDRO C=CCc1ccc(OCC(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c(OC)c1 ZINC000469351130 929811620 /nfs/dbraw/zinc/81/16/20/929811620.db2.gz SOZKFOPCHYBAIT-LJQANCHMSA-N 1 0 396.487 3.826 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000469352813 929813750 /nfs/dbraw/zinc/81/37/50/929813750.db2.gz FIONKJMGSLRSCH-IBGZPJMESA-N 1 0 382.460 3.898 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(Cc2cccc(C#N)c2)n1 ZINC000546303466 930039653 /nfs/dbraw/zinc/03/96/53/930039653.db2.gz SXUSNVSXALWQLG-UHFFFAOYSA-N 1 0 376.460 3.920 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000546305492 930041546 /nfs/dbraw/zinc/04/15/46/930041546.db2.gz QXCRAZDMAZNBSF-HRAATJIYSA-N 1 0 395.478 3.670 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1 ZINC000758579195 930090170 /nfs/dbraw/zinc/09/01/70/930090170.db2.gz FGHSRBUKYWXJJK-MQNAVGNWSA-N 1 0 382.479 3.980 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000759038758 930252017 /nfs/dbraw/zinc/25/20/17/930252017.db2.gz FWHJXRALYRRCCK-OAQYLSRUSA-N 1 0 387.886 3.592 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000546658674 930333947 /nfs/dbraw/zinc/33/39/47/930333947.db2.gz PQXYTQSJEUYXJM-UHFFFAOYSA-N 1 0 390.531 3.752 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2OC)[NH+]2CCCC2)cc1 ZINC000546709275 930373132 /nfs/dbraw/zinc/37/31/32/930373132.db2.gz QAINPWYJVMTLAI-FQEVSTJZSA-N 1 0 394.475 3.534 20 30 GHEDRO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000546762107 930411895 /nfs/dbraw/zinc/41/18/95/930411895.db2.gz LJQJMGMGZOSOKO-PGRDOPGGSA-N 1 0 376.504 3.925 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000759752058 930476221 /nfs/dbraw/zinc/47/62/21/930476221.db2.gz ZDDZUAFPRWHOMB-UHFFFAOYSA-N 1 0 385.471 3.604 20 30 GHEDRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2ccc(C#N)cn2)c1 ZINC000780556137 930547253 /nfs/dbraw/zinc/54/72/53/930547253.db2.gz TZOBUEKYMJGBEY-UHFFFAOYSA-N 1 0 375.476 3.870 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1-c1ccccc1 ZINC000780745549 930590218 /nfs/dbraw/zinc/59/02/18/930590218.db2.gz QSINUFRDKGZNPL-GAJHUEQPSA-N 1 0 399.498 3.899 20 30 GHEDRO N#CC1(NC(=O)c2cc(Cl)ncc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000781000201 930667338 /nfs/dbraw/zinc/66/73/38/930667338.db2.gz YDJOQUIKTPRPIQ-UHFFFAOYSA-N 1 0 389.286 3.677 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@@H+]2C)cc1 ZINC000781479605 930863840 /nfs/dbraw/zinc/86/38/40/930863840.db2.gz ZWYICWHFYCOETN-DENIHFKCSA-N 1 0 390.483 3.835 20 30 GHEDRO C=CCOCCC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000470770165 930897140 /nfs/dbraw/zinc/89/71/40/930897140.db2.gz YLLPESFVFZFQLF-UHFFFAOYSA-N 1 0 381.314 3.692 20 30 GHEDRO C[C@H](CC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000470874883 930988944 /nfs/dbraw/zinc/98/89/44/930988944.db2.gz XQGUQFHTOYGUCU-FZKQIMNGSA-N 1 0 375.394 3.887 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 ZINC000782027439 931065050 /nfs/dbraw/zinc/06/50/50/931065050.db2.gz LJYRIQGIVRMZKD-SFHVURJKSA-N 1 0 390.409 3.671 20 30 GHEDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924631016 931456076 /nfs/dbraw/zinc/45/60/76/931456076.db2.gz DAHCEDCSIYFZJD-INIZCTEOSA-N 1 0 389.544 3.560 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](CC)c1ccc(Br)cc1Cl ZINC000783289629 931511733 /nfs/dbraw/zinc/51/17/33/931511733.db2.gz OZZIZSKCEAYZGJ-AWEZNQCLSA-N 1 0 380.735 3.744 20 30 GHEDRO NC(=[NH+]OCc1cncn1Cc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000783560346 931581806 /nfs/dbraw/zinc/58/18/06/931581806.db2.gz XVAJHWORDSFQDE-UHFFFAOYSA-N 1 0 389.503 3.759 20 30 GHEDRO Cc1ccc(CC[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000925026173 931617482 /nfs/dbraw/zinc/61/74/82/931617482.db2.gz DHPHRWVYJMGLQE-GOSISDBHSA-N 1 0 386.540 3.842 20 30 GHEDRO CC1([NH+]2CCCC2)CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1 ZINC000925053231 931625568 /nfs/dbraw/zinc/62/55/68/931625568.db2.gz FLDAXGBZHGLHOQ-XPRKNAHVSA-N 1 0 380.536 3.732 20 30 GHEDRO CCc1cc(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)on1 ZINC000925129839 931667664 /nfs/dbraw/zinc/66/76/64/931667664.db2.gz QQWFTKHRIQZXFJ-OAHLLOKOSA-N 1 0 376.501 3.646 20 30 GHEDRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925221793 931707261 /nfs/dbraw/zinc/70/72/61/931707261.db2.gz PGPUHLZEQMODKW-QRVBRYPASA-N 1 0 393.572 3.957 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000558014001 931801321 /nfs/dbraw/zinc/80/13/21/931801321.db2.gz QXBZWLIONDABKB-CTNGQTDRSA-N 1 0 379.589 3.901 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)C1 ZINC000558031786 931808444 /nfs/dbraw/zinc/80/84/44/931808444.db2.gz FIDBERZQOGWCLQ-HSZRJFAPSA-N 1 0 375.472 3.713 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784488977 931912091 /nfs/dbraw/zinc/91/20/91/931912091.db2.gz YNKCHKSXGFLBBT-OGWOLHLISA-N 1 0 381.442 3.938 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926028275 932007246 /nfs/dbraw/zinc/00/72/46/932007246.db2.gz ZBPDOKXHVLMGIK-AGIUHOORSA-N 1 0 386.443 3.682 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796948670 932118830 /nfs/dbraw/zinc/11/88/30/932118830.db2.gz NDVDWFUJLKNROQ-UTKZUKDTSA-N 1 0 398.551 3.762 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000926412472 932168225 /nfs/dbraw/zinc/16/82/25/932168225.db2.gz VJCXDLGBMYGSTR-KSZLIROESA-N 1 0 379.545 3.568 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cccc(Cl)c2Cl)cc1 ZINC000558733346 932199934 /nfs/dbraw/zinc/19/99/34/932199934.db2.gz DIMHMZJAISAAQI-INIZCTEOSA-N 1 0 379.287 3.631 20 30 GHEDRO COC1([C@H](C)[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000926590981 932239204 /nfs/dbraw/zinc/23/92/04/932239204.db2.gz ASZCWRGJLLKTNI-IRXDYDNUSA-N 1 0 379.545 3.853 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@H]1CCCOC1 ZINC000926745246 932288881 /nfs/dbraw/zinc/28/88/81/932288881.db2.gz GGBCTEGUGFBRHD-ZWKOTPCHSA-N 1 0 379.545 3.712 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000558978238 932350349 /nfs/dbraw/zinc/35/03/49/932350349.db2.gz CJPJCAVDNNLNDE-UYAOXDASSA-N 1 0 392.551 3.678 20 30 GHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000558984581 932355329 /nfs/dbraw/zinc/35/53/29/932355329.db2.gz XMZHDKRUQGXBRO-UHFFFAOYSA-N 1 0 392.551 3.637 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000558995899 932361560 /nfs/dbraw/zinc/36/15/60/932361560.db2.gz QWGFQYDKYDQPOD-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000559026712 932382004 /nfs/dbraw/zinc/38/20/04/932382004.db2.gz VBYZBNQBLCPMPY-GOSISDBHSA-N 1 0 385.943 3.773 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000797786304 932406771 /nfs/dbraw/zinc/40/67/71/932406771.db2.gz PXDQBHYITMHMRN-UHFFFAOYSA-N 1 0 389.496 3.535 20 30 GHEDRO C[C@]1(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000798469157 932658433 /nfs/dbraw/zinc/65/84/33/932658433.db2.gz NKGXKEWEPXXLBE-ISKFKSNPSA-N 1 0 388.515 3.757 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000799141826 932886563 /nfs/dbraw/zinc/88/65/63/932886563.db2.gz CNGPHLFCAOBKMP-ROUUACIJSA-N 1 0 379.545 3.712 20 30 GHEDRO CC[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000799145965 932888447 /nfs/dbraw/zinc/88/84/47/932888447.db2.gz RUKNUJXQJBSDCJ-ROUUACIJSA-N 1 0 379.545 3.712 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000560115722 933074902 /nfs/dbraw/zinc/07/49/02/933074902.db2.gz GAHDNIHICZMBGA-UHFFFAOYSA-N 1 0 390.940 3.913 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000560165934 933103136 /nfs/dbraw/zinc/10/31/36/933103136.db2.gz BULLRKXENPTETF-TZIWHRDSSA-N 1 0 397.588 3.510 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000560179852 933113918 /nfs/dbraw/zinc/11/39/18/933113918.db2.gz WRBUNHCEWBUEPA-FQEVSTJZSA-N 1 0 396.453 3.963 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000560258764 933166423 /nfs/dbraw/zinc/16/64/23/933166423.db2.gz CVBCLPSUEMAUJY-WIYYLYMNSA-N 1 0 399.420 3.548 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000560538901 933326022 /nfs/dbraw/zinc/32/60/22/933326022.db2.gz WUNVPBRPACTEAH-DLBZAZTESA-N 1 0 391.443 3.816 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000777809991 933559347 /nfs/dbraw/zinc/55/93/47/933559347.db2.gz VFXIEYYYYMUTKN-WOJBJXKFSA-N 1 0 379.508 3.637 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC001116487662 933587096 /nfs/dbraw/zinc/58/70/96/933587096.db2.gz IKPRWHGUDBBBBP-AWEZNQCLSA-N 1 0 391.393 3.688 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000560997685 933764140 /nfs/dbraw/zinc/76/41/40/933764140.db2.gz MDXSCFMNXOMOGH-YJBOKZPZSA-N 1 0 380.423 3.705 20 30 GHEDRO C=CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001116935584 933836589 /nfs/dbraw/zinc/83/65/89/933836589.db2.gz HPXRIPOXKDXDBK-RXVVDRJESA-N 1 0 393.535 3.593 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000561199810 933950719 /nfs/dbraw/zinc/95/07/19/933950719.db2.gz SGEBFGVWAZMIEH-FDDCHVKYSA-N 1 0 387.483 3.905 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H](CO)CC2CCOCC2)cc1 ZINC001118352123 934142644 /nfs/dbraw/zinc/14/26/44/934142644.db2.gz XAYKBTNSKWMEPI-JOCHJYFZSA-N 1 0 395.547 3.978 20 30 GHEDRO C#Cc1cccc(NC(=S)N[C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000777926736 934203251 /nfs/dbraw/zinc/20/32/51/934203251.db2.gz GDVKUOSSYKAIHN-VXKWHMMOSA-N 1 0 391.540 3.941 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1N1CC[NH+](C)CC1 ZINC001119294317 934326699 /nfs/dbraw/zinc/32/66/99/934326699.db2.gz SNEPUINQEHWWMB-KRWDZBQOSA-N 1 0 377.492 3.501 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1(C#N)CCSCC1 ZINC000931174673 934416078 /nfs/dbraw/zinc/41/60/78/934416078.db2.gz XBHJMVYLAJOUDZ-UHFFFAOYSA-N 1 0 375.563 3.519 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4c[nH]c5ncccc45)C3)o2)cc1 ZINC000931369318 934525884 /nfs/dbraw/zinc/52/58/84/934525884.db2.gz SOFFSVGGHYSODA-QGZVFWFLSA-N 1 0 384.443 3.864 20 30 GHEDRO C[NH+]1CCC2(CCCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC000931381050 934532443 /nfs/dbraw/zinc/53/24/43/934532443.db2.gz SZMVVKNPVVLOOT-UHFFFAOYSA-N 1 0 391.313 3.660 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Cc3ccc(C#N)cc3)n2C)CC1 ZINC001121306111 934619853 /nfs/dbraw/zinc/61/98/53/934619853.db2.gz VIKYHIKKSPASMR-GOSISDBHSA-N 1 0 394.567 3.590 20 30 GHEDRO COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(C#N)c(OC)c3)c2C)cc1 ZINC000562082095 934682173 /nfs/dbraw/zinc/68/21/73/934682173.db2.gz FLKBMGSZKGGHFK-UHFFFAOYSA-N 1 0 390.487 3.727 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC001121567838 934700562 /nfs/dbraw/zinc/70/05/62/934700562.db2.gz YAJQUMOWIIDISI-MJGOQNOKSA-N 1 0 399.514 3.763 20 30 GHEDRO C=CCn1c(-c2ncc(CC)s2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121628943 934719358 /nfs/dbraw/zinc/71/93/58/934719358.db2.gz LVZNHAJRLDIIBS-UHFFFAOYSA-N 1 0 386.569 3.605 20 30 GHEDRO C=CCn1c([C@H](C)c2ccsc2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001121638609 934722409 /nfs/dbraw/zinc/72/24/09/934722409.db2.gz CYSZHXWHJDTUFZ-JFRXWTBNSA-N 1 0 385.581 3.844 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001121661426 934731176 /nfs/dbraw/zinc/73/11/76/934731176.db2.gz IOPUPBNENBZJBU-QRVBRYPASA-N 1 0 399.489 3.545 20 30 GHEDRO C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001121695988 934742468 /nfs/dbraw/zinc/74/24/68/934742468.db2.gz XMGAVMBKELCNDB-UHFFFAOYSA-N 1 0 392.551 3.754 20 30 GHEDRO C=CCn1c(N2CCC(C[N@@H+](C)CCCC)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001121709443 934744638 /nfs/dbraw/zinc/74/46/38/934744638.db2.gz TUCNURMJNFFUEI-QHCPKHFHSA-N 1 0 399.583 3.748 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001121715318 934745935 /nfs/dbraw/zinc/74/59/35/934745935.db2.gz WUYZKBCHGWYTJH-AWEZNQCLSA-N 1 0 387.478 3.675 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 ZINC000932171782 934839966 /nfs/dbraw/zinc/83/99/66/934839966.db2.gz KGSSDVKFIBNHQB-UHFFFAOYSA-N 1 0 377.423 3.597 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)c3cnc(CC4CC[NH2+]CC4)s3)CC2)cc1 ZINC001122278628 934851975 /nfs/dbraw/zinc/85/19/75/934851975.db2.gz WQXDCSWTBFEJCG-UHFFFAOYSA-N 1 0 394.544 3.577 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC(C)(C)C[C@H]1C ZINC001122374382 934858731 /nfs/dbraw/zinc/85/87/31/934858731.db2.gz NYPBDPRTPYOMBJ-MJGOQNOKSA-N 1 0 387.572 3.795 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3c3ccnn3C)sc2C1 ZINC000932266867 934863602 /nfs/dbraw/zinc/86/36/02/934863602.db2.gz VNBZKOMIKRQYIZ-KSSFIOAISA-N 1 0 397.548 3.644 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)C1CC(C)(C)C1 ZINC001122465583 934876322 /nfs/dbraw/zinc/87/63/22/934876322.db2.gz AHDFZVJBABHTSR-LJQANCHMSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001122495344 934882328 /nfs/dbraw/zinc/88/23/28/934882328.db2.gz RGJXYZIHNINFAQ-XXBNENTESA-N 1 0 394.567 3.644 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001122504745 934884917 /nfs/dbraw/zinc/88/49/17/934884917.db2.gz JNJHSHFWBGQAKH-SFHVURJKSA-N 1 0 382.556 3.712 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2CC(C)C)C1 ZINC001122815002 934996718 /nfs/dbraw/zinc/99/67/18/934996718.db2.gz XPIFZUPJWDXZRC-WMZHIEFXSA-N 1 0 398.599 3.828 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(c2nnc(CCCCC#N)n2CC2CC2)CC1 ZINC001123400121 935180859 /nfs/dbraw/zinc/18/08/59/935180859.db2.gz UDCCEUAZZCQJEQ-UHFFFAOYSA-N 1 0 384.572 3.769 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)c1nnc([C@H](C)CCC#N)n1CC1CC1 ZINC001123505713 935212846 /nfs/dbraw/zinc/21/28/46/935212846.db2.gz YBGRSKDUAYTNGN-GOSISDBHSA-N 1 0 386.588 3.900 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CC1CC1 ZINC001123695103 935254806 /nfs/dbraw/zinc/25/48/06/935254806.db2.gz AVPSQTBBEVTGBL-IBGZPJMESA-N 1 0 384.572 3.582 20 30 GHEDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000828342787 935615783 /nfs/dbraw/zinc/61/57/83/935615783.db2.gz PIWRXWIPDVMWLD-LAUBAEHRSA-N 1 0 377.488 3.692 20 30 GHEDRO COc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(C#N)c1 ZINC001137698360 935729955 /nfs/dbraw/zinc/72/99/55/935729955.db2.gz UAGMUYCTYHWUFT-UHFFFAOYSA-N 1 0 375.394 3.908 20 30 GHEDRO COc1ccc(CN2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(C#N)c1 ZINC001137700919 935732058 /nfs/dbraw/zinc/73/20/58/935732058.db2.gz FBCSSUSUIHEHLA-UHFFFAOYSA-N 1 0 396.560 3.962 20 30 GHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001573342153 947538778 /nfs/dbraw/zinc/53/87/78/947538778.db2.gz UZZAFOZTEJGEHN-OAHLLOKOSA-N 1 0 378.436 3.833 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001625777374 1014149472 /nfs/dbraw/zinc/14/94/72/1014149472.db2.gz ACIDYKMZCOKOIX-JOCHJYFZSA-N 1 0 378.520 3.588 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC001625927687 1014424558 /nfs/dbraw/zinc/42/45/58/1014424558.db2.gz GXAQXBNJIQBSOW-HXUWFJFHSA-N 1 0 382.504 3.530 20 30 GHEDRO CCC[NH+](CCC)CCNC(=S)Nc1ccc(C#N)cc1Br ZINC001201130557 1014989054 /nfs/dbraw/zinc/98/90/54/1014989054.db2.gz KIIRXFKZKWNNHX-UHFFFAOYSA-N 1 0 383.359 3.729 20 30 GHEDRO C=CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000544867829 1015127006 /nfs/dbraw/zinc/12/70/06/1015127006.db2.gz MIASGHJQJZUVGT-NRFANRHFSA-N 1 0 394.515 3.997 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000545296149 1015750498 /nfs/dbraw/zinc/75/04/98/1015750498.db2.gz SIPQXQBABQSHDH-YLJYHZDGSA-N 1 0 392.503 3.989 20 30 GHEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C[NH+](CC)CC)cc3)cc2C1=O ZINC000469956308 1016683283 /nfs/dbraw/zinc/68/32/83/1016683283.db2.gz MMNGZHYRHCENLI-UHFFFAOYSA-N 1 0 391.471 3.563 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC(C[NH2+]CC)CC2)cc1OC ZINC000470024069 1016702473 /nfs/dbraw/zinc/70/24/73/1016702473.db2.gz ICSBHOMLNKAMOU-UHFFFAOYSA-N 1 0 397.357 3.844 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2noc(CSCc3ccc(C#N)cc3)n2)cc1 ZINC000546999423 1016780903 /nfs/dbraw/zinc/78/09/03/1016780903.db2.gz XRNZYXLZEGBMLE-UHFFFAOYSA-N 1 0 394.500 3.982 20 30 GHEDRO Cc1ccccc1CC(C)(C)NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1 ZINC001220957557 1032208266 /nfs/dbraw/zinc/20/82/66/1032208266.db2.gz CDHHLCNUPDVZNO-GCJKJVERSA-N 1 0 375.516 3.525 20 30 GHEDRO C=CCCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC001220986682 1032223650 /nfs/dbraw/zinc/22/36/50/1032223650.db2.gz IDWOQVVHZCUHQA-FCHUYYIVSA-N 1 0 386.584 3.655 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN2Cc2c(SC(C)C)nc3sccn23)C1=O ZINC001277175672 1032244148 /nfs/dbraw/zinc/24/41/48/1032244148.db2.gz KJFFCNLXFQFEAM-IBGZPJMESA-N 1 0 390.578 3.649 20 30 GHEDRO C#CC[C@]1(C(=O)NC[C@@H](OCCC(C)C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001221407598 1032401751 /nfs/dbraw/zinc/40/17/51/1032401751.db2.gz DDPYRXFOJRBYAQ-TZIWHRDSSA-N 1 0 376.928 3.706 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2C[C@@H]([NH3+])Cc3ccccc32)cc1F ZINC001155298589 1032490758 /nfs/dbraw/zinc/49/07/58/1032490758.db2.gz HAGQVLPRAHUPSK-AWEZNQCLSA-N 1 0 379.826 3.829 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N[C@@]34CCC[C@@H]3[NH2+]CC4)c(Cl)nn2)cc1 ZINC001155409264 1032532717 /nfs/dbraw/zinc/53/27/17/1032532717.db2.gz QCZXMMSQJREJBK-FUHWJXTLSA-N 1 0 389.837 3.592 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cc3cc(O)ccc3o2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001155674136 1032634631 /nfs/dbraw/zinc/63/46/31/1032634631.db2.gz MLEHVPIIOVGATA-WGSAOQKQSA-N 1 0 389.455 3.922 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(OCC)c1)C2 ZINC001204186348 1032641068 /nfs/dbraw/zinc/64/10/68/1032641068.db2.gz ZKYVAEKDPNWKCE-VXKWHMMOSA-N 1 0 375.509 3.668 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccc(F)cc4F)C3)C2)c1 ZINC001204210059 1032662354 /nfs/dbraw/zinc/66/23/54/1032662354.db2.gz HHVJDKILOHNEFG-QHCPKHFHSA-N 1 0 397.469 3.955 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001227880123 1032664208 /nfs/dbraw/zinc/66/42/08/1032664208.db2.gz FUFAIIXMLGCAPJ-XMMPIXPASA-N 1 0 393.531 3.963 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cnnn2-c2ccccc2)ccc1OC ZINC000925397855 1017077565 /nfs/dbraw/zinc/07/75/65/1017077565.db2.gz RRXZRNPCXJVEPK-APWZRJJASA-N 1 0 391.475 3.808 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1OC ZINC000925398102 1017078618 /nfs/dbraw/zinc/07/86/18/1017078618.db2.gz UGKWJTNACHWPND-XUVXKRRUSA-N 1 0 382.508 3.611 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1cccnc1 ZINC000928827738 1017569903 /nfs/dbraw/zinc/56/99/03/1017569903.db2.gz FEXQNGYFYDDFPW-NRFANRHFSA-N 1 0 376.504 3.574 20 30 GHEDRO C[C@@H](NC(=O)N1CCc2c(CC#N)cccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC001227963343 1032717460 /nfs/dbraw/zinc/71/74/60/1032717460.db2.gz VLMRPCMFQQEUIW-VGOFRKELSA-N 1 0 376.504 3.512 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC1 ZINC000930054442 1017776724 /nfs/dbraw/zinc/77/67/24/1017776724.db2.gz ONBPNVJNPYHKCO-UHFFFAOYSA-N 1 0 394.544 3.530 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000561231762 1017812801 /nfs/dbraw/zinc/81/28/01/1017812801.db2.gz JCSZNGPTGWJSEV-QFIPXVFZSA-N 1 0 395.551 3.676 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)cc1 ZINC001204299993 1032740594 /nfs/dbraw/zinc/74/05/94/1032740594.db2.gz IGQPEMCDMKWNRH-DEOSSOPVSA-N 1 0 392.499 3.889 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC001155873461 1032754581 /nfs/dbraw/zinc/75/45/81/1032754581.db2.gz NRSAGASXODYNSW-UHFFFAOYSA-N 1 0 387.458 3.868 20 30 GHEDRO COc1cc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1C#N ZINC000562577074 1018342251 /nfs/dbraw/zinc/34/22/51/1018342251.db2.gz QHTDHYIHHDAGOV-UHFFFAOYSA-N 1 0 392.503 3.552 20 30 GHEDRO N#CCCc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000932567270 1018467659 /nfs/dbraw/zinc/46/76/59/1018467659.db2.gz SVFBFHHXTMFGBP-QFIPXVFZSA-N 1 0 392.503 3.555 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000562684743 1018535040 /nfs/dbraw/zinc/53/50/40/1018535040.db2.gz VPPOIVGPFWIPIH-YADHBBJMSA-N 1 0 399.498 3.951 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000562726786 1018580331 /nfs/dbraw/zinc/58/03/31/1018580331.db2.gz OBMASCMZFUPQDJ-UHFFFAOYSA-N 1 0 383.879 3.532 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000562762327 1018611860 /nfs/dbraw/zinc/61/18/60/1018611860.db2.gz JJWQREGVHKMCEM-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000562784891 1018639312 /nfs/dbraw/zinc/63/93/12/1018639312.db2.gz JMZDCQCFNUTMOU-BBTUJRGHSA-N 1 0 390.535 3.559 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1-n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001155902861 1032776893 /nfs/dbraw/zinc/77/68/93/1032776893.db2.gz VTFCNGXRPXJSII-UHFFFAOYSA-N 1 0 382.851 3.803 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cc(O)ccc1Br ZINC000562904900 1018786732 /nfs/dbraw/zinc/78/67/32/1018786732.db2.gz NJNLZZNZUYJTHW-UHFFFAOYSA-N 1 0 388.309 3.590 20 30 GHEDRO Cc1ccccc1OC[C@H](O)C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000564857049 1019117863 /nfs/dbraw/zinc/11/78/63/1019117863.db2.gz QCBOYNJTQDJXTD-NYLDSWQDSA-N 1 0 380.488 3.586 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(NCc3cccnc3C3CC[NH2+]CC3)nn2)cc1 ZINC001155994949 1032827889 /nfs/dbraw/zinc/82/78/89/1032827889.db2.gz NLXZBUKQBPEXIQ-NRFANRHFSA-N 1 0 398.514 3.915 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC[C@H](O)CC2(C#N)CC2)cc1)C[C@H]1CCCCO1 ZINC000600738454 1020228042 /nfs/dbraw/zinc/22/80/42/1020228042.db2.gz KKLVVIVOTCNTRP-FGZHOGPDSA-N 1 0 385.552 3.933 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC[C@@H](O)CC2(C#N)CC2)cc1)C[C@H]1CCCCO1 ZINC000600738450 1020228121 /nfs/dbraw/zinc/22/81/21/1020228121.db2.gz KKLVVIVOTCNTRP-FCHUYYIVSA-N 1 0 385.552 3.933 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)[C@@H]1CCC[N@H+](CCc3ccccc3)C1)C2 ZINC000600789621 1020256018 /nfs/dbraw/zinc/25/60/18/1020256018.db2.gz SUWJAOWHHXWNEK-HSZRJFAPSA-N 1 0 387.527 3.592 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000578059409 1020314313 /nfs/dbraw/zinc/31/43/13/1020314313.db2.gz NRZVXCUWSQCISE-IBGZPJMESA-N 1 0 385.558 3.791 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001204506175 1032936545 /nfs/dbraw/zinc/93/65/45/1032936545.db2.gz UOCCAFCAEVGEQW-INIZCTEOSA-N 1 0 397.910 3.523 20 30 GHEDRO [NH2+]=C(NCCCO[C@@H]1CCCc2ccccc21)N[C@H]1CCOc2ccccc21 ZINC000304750055 1021153659 /nfs/dbraw/zinc/15/36/59/1021153659.db2.gz IBWLETPEQDJFBY-LEWJYISDSA-N 1 0 379.504 3.899 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(Br)cc1N)C2 ZINC001140223314 1021186582 /nfs/dbraw/zinc/18/65/82/1021186582.db2.gz XFPPYWKKTGFKHS-MOPGFXCFSA-N 1 0 395.341 3.605 20 30 GHEDRO N#CCCN(C(=O)c1ccc(NC2=[NH+]CCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000900553985 1021329699 /nfs/dbraw/zinc/32/96/99/1021329699.db2.gz JUJUPPJINJRGHX-UHFFFAOYSA-N 1 0 390.443 3.622 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC000802660915 1021517274 /nfs/dbraw/zinc/51/72/74/1021517274.db2.gz ZJCSYAGCCQJANB-QFIPXVFZSA-N 1 0 385.508 3.790 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000902772236 1021534888 /nfs/dbraw/zinc/53/48/88/1021534888.db2.gz BMTTZPQGSSLZQL-NRFANRHFSA-N 1 0 383.517 3.584 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)N2Cc3cccc(C#N)c3C2)c1 ZINC000903461737 1021605039 /nfs/dbraw/zinc/60/50/39/1021605039.db2.gz ZUQFKUCSYBLTDT-UHFFFAOYSA-N 1 0 378.476 3.827 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc3ccc(Cl)cn13)[C@H]2CC ZINC001140428992 1021681203 /nfs/dbraw/zinc/68/12/03/1021681203.db2.gz VCEXKTRKTDVTFL-RXVVDRJESA-N 1 0 386.927 3.909 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC[C@@H]1O ZINC001140437061 1021703597 /nfs/dbraw/zinc/70/35/97/1021703597.db2.gz AYCBQDWVRKKVEO-QRWLVFNGSA-N 1 0 383.492 3.889 20 30 GHEDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437581 1021705607 /nfs/dbraw/zinc/70/56/07/1021705607.db2.gz LNKZNAKFYWDEAU-DOTOQJQBSA-N 1 0 383.492 3.889 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)[C@@H]2C1 ZINC001140439763 1021711628 /nfs/dbraw/zinc/71/16/28/1021711628.db2.gz NTMXMNWLUVBRJM-LAUBAEHRSA-N 1 0 394.519 3.822 20 30 GHEDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140439765 1021712353 /nfs/dbraw/zinc/71/23/53/1021712353.db2.gz NTMXMNWLUVBRJM-UWJYYQICSA-N 1 0 394.519 3.822 20 30 GHEDRO COCC#CC[NH+]1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000677817627 1021885585 /nfs/dbraw/zinc/88/55/85/1021885585.db2.gz OBZFLVGHDMCVEJ-QFIPXVFZSA-N 1 0 383.536 3.825 20 30 GHEDRO COCCO[C@@H]1CCC2(CC[NH+](Cc3ccc(C#N)nc3)CC2)c2ccccc21 ZINC001140542633 1021943453 /nfs/dbraw/zinc/94/34/53/1021943453.db2.gz CQFSSOMSSWVCRB-HSZRJFAPSA-N 1 0 391.515 3.985 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001140603295 1022050462 /nfs/dbraw/zinc/05/04/62/1022050462.db2.gz ILEXIUULZCFCDU-QILLFSRXSA-N 1 0 375.900 3.947 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cccc5ccncc54)C3)CC2=O)c1 ZINC001140645066 1022144652 /nfs/dbraw/zinc/14/46/52/1022144652.db2.gz IYJXEYNBZODREG-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(Cl)ccc3N)CC2)C1 ZINC001140716597 1022352655 /nfs/dbraw/zinc/35/26/55/1022352655.db2.gz RQCFSWYPCHCIJK-UHFFFAOYSA-N 1 0 377.916 3.923 20 30 GHEDRO N#Cc1c(F)cc(CN2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)cc1F ZINC001140752520 1022434937 /nfs/dbraw/zinc/43/49/37/1022434937.db2.gz UXYFGTGXFDDNOU-PGRDOPGGSA-N 1 0 399.441 3.572 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-n3cncc3C[NH2+]Cc3ccccc3)nn2)cc1 ZINC001156482842 1033058910 /nfs/dbraw/zinc/05/89/10/1033058910.db2.gz WSGKEHXXFASDOR-QFIPXVFZSA-N 1 0 394.482 3.916 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CCO)c2cccs2)sc2c1CCCC2 ZINC000754387767 1022664433 /nfs/dbraw/zinc/66/44/33/1022664433.db2.gz YGGLMHLKRGMBPR-HNNXBMFYSA-N 1 0 389.546 3.602 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc(C(F)(F)F)nn2)ccc1O ZINC000754711472 1022850634 /nfs/dbraw/zinc/85/06/34/1022850634.db2.gz YAWNUDCWJZMGPR-UHFFFAOYSA-N 1 0 381.402 3.879 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000754735731 1022869161 /nfs/dbraw/zinc/86/91/61/1022869161.db2.gz ARSCBZRCHQWSOO-KRWDZBQOSA-N 1 0 376.497 3.571 20 30 GHEDRO C#Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000836348333 1022904951 /nfs/dbraw/zinc/90/49/51/1022904951.db2.gz FQXMTBHVEZVDSN-UHFFFAOYSA-N 1 0 379.529 3.581 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1NN=C1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000755679711 1023334189 /nfs/dbraw/zinc/33/41/89/1023334189.db2.gz GKVUIMAAEMITMI-UHFFFAOYSA-N 1 0 380.448 3.966 20 30 GHEDRO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141107160 1023515876 /nfs/dbraw/zinc/51/58/76/1023515876.db2.gz RLSVJRBYHVHGBI-NWDGAFQWSA-N 1 0 398.960 3.981 20 30 GHEDRO N#Cc1c(N)sc(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1Cl ZINC001141107411 1023516560 /nfs/dbraw/zinc/51/65/60/1023516560.db2.gz XFVWLSWYSPXMMS-WBVHZDCISA-N 1 0 386.952 3.952 20 30 GHEDRO COc1ccccc1[C@@H](O)C[N@H+](Cc1sc(N)c(C#N)c1Cl)C(C)C ZINC001141112642 1023528531 /nfs/dbraw/zinc/52/85/31/1023528531.db2.gz HQWOUSFPNPCBLT-AWEZNQCLSA-N 1 0 379.913 3.808 20 30 GHEDRO C[C@H]1CN(Cc2sc(N)c(C#N)c2Cl)CCCN1C(=O)OC(C)(C)C ZINC001141112822 1023529583 /nfs/dbraw/zinc/52/95/83/1023529583.db2.gz NSXKSHZFYAHGPD-NSHDSACASA-N 1 0 384.933 3.687 20 30 GHEDRO CCCCCCCCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000756659117 1023759319 /nfs/dbraw/zinc/75/93/19/1023759319.db2.gz OBOMUABLJUKVGD-WCRBZPEASA-N 1 0 378.605 3.689 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000756868111 1023841181 /nfs/dbraw/zinc/84/11/81/1023841181.db2.gz UBOQUSVBOUZIRE-PKTZIBPZSA-N 1 0 391.515 3.896 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c(F)c1 ZINC001141193503 1024072220 /nfs/dbraw/zinc/07/22/20/1024072220.db2.gz YGEOOPFXXSQYKJ-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(O)ccc1Br)C2 ZINC001138143039 1024223901 /nfs/dbraw/zinc/22/39/01/1024223901.db2.gz WUZFTJYYQMWTMP-MOPGFXCFSA-N 1 0 396.325 3.728 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(-n3ccnc3)c1)CC2 ZINC001141238628 1024236281 /nfs/dbraw/zinc/23/62/81/1024236281.db2.gz ODCHSGXOOUKZSH-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)ccc1F ZINC000831221094 1024430939 /nfs/dbraw/zinc/43/09/39/1024430939.db2.gz TTZMCWYNIZMGHV-GOSISDBHSA-N 1 0 381.451 3.530 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(N4CCOC4=O)CC3)cc2)cc1 ZINC001141295738 1024431527 /nfs/dbraw/zinc/43/15/27/1024431527.db2.gz JHGYBHOEOQGRLA-UHFFFAOYSA-N 1 0 377.444 3.767 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(OC)c(F)c1)[C@@H]2CC ZINC001138423823 1024816202 /nfs/dbraw/zinc/81/62/02/1024816202.db2.gz ZDSSVMMPEFUQLL-NQIIRXRSSA-N 1 0 378.463 3.895 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)c(OC)cc1C)C2 ZINC001138437946 1024848398 /nfs/dbraw/zinc/84/83/98/1024848398.db2.gz SUYGNGUUWVZEIU-YADHBBJMSA-N 1 0 375.509 3.586 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138449322 1024872301 /nfs/dbraw/zinc/87/23/01/1024872301.db2.gz WOVYFOLXLUUTKS-HSZRJFAPSA-N 1 0 378.520 3.918 20 30 GHEDRO N#CC1(NC(=O)CCC[C@@H](O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000831794794 1024875124 /nfs/dbraw/zinc/87/51/24/1024875124.db2.gz SIRVVKZMPZJERR-JOCHJYFZSA-N 1 0 391.515 3.565 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(N(C)C)s3)CC2)C1 ZINC001138489601 1024921909 /nfs/dbraw/zinc/92/19/09/1024921909.db2.gz NSWCKFSPVYZLKN-UHFFFAOYSA-N 1 0 377.554 3.815 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000831893930 1024982936 /nfs/dbraw/zinc/98/29/36/1024982936.db2.gz JZMLXFVRMYOYAY-QUCCMNQESA-N 1 0 377.488 3.871 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)cc1 ZINC001138558208 1025019415 /nfs/dbraw/zinc/01/94/15/1025019415.db2.gz MVQLRXPTMZQJRS-LIMIJEPZSA-N 1 0 392.474 3.934 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1 ZINC001138559797 1025022187 /nfs/dbraw/zinc/02/21/87/1025022187.db2.gz SIFDLPAWYHYABI-UHFFFAOYSA-N 1 0 387.458 3.896 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c1O ZINC001138626731 1025125798 /nfs/dbraw/zinc/12/57/98/1025125798.db2.gz MLMLGOATFQZBSJ-LADGPHEKSA-N 1 0 394.515 3.856 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030782 1025151661 /nfs/dbraw/zinc/15/16/61/1025151661.db2.gz QMJLCLBURGZBLH-YLJYHZDGSA-N 1 0 399.535 3.873 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000832043121 1025172217 /nfs/dbraw/zinc/17/22/17/1025172217.db2.gz CTUZRCUYZYOMGC-KAGYGMCKSA-N 1 0 377.463 3.728 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000832043118 1025172868 /nfs/dbraw/zinc/17/28/68/1025172868.db2.gz CTUZRCUYZYOMGC-CZTZKLFOSA-N 1 0 377.463 3.728 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(CC1)c1ncc(C)n1CCN2CC ZINC001138661388 1025181567 /nfs/dbraw/zinc/18/15/67/1025181567.db2.gz WINSJRBMNILPFO-UHFFFAOYSA-N 1 0 394.563 3.973 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001138666609 1025188621 /nfs/dbraw/zinc/18/86/21/1025188621.db2.gz ZNPYOUOKKKQSRW-OAQYLSRUSA-N 1 0 380.488 3.784 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138745317 1025286153 /nfs/dbraw/zinc/28/61/53/1025286153.db2.gz NBCHPTOHJRKHTL-PXNSSMCTSA-N 1 0 381.900 3.683 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000838932330 1025454141 /nfs/dbraw/zinc/45/41/41/1025454141.db2.gz HKCUDTVEFQMJGT-UHFFFAOYSA-N 1 0 391.357 3.517 20 30 GHEDRO COc1cc(C#N)cc(N(CC[NH3+])c2cccc3ccccc32)c1OC(C)=O ZINC001162005478 1025533588 /nfs/dbraw/zinc/53/35/88/1025533588.db2.gz OLWUBIDGSRMYLJ-UHFFFAOYSA-N 1 0 375.428 3.742 20 30 GHEDRO N#Cc1ncc(Cl)nc1N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001162053594 1025567956 /nfs/dbraw/zinc/56/79/56/1025567956.db2.gz ACYVCTLOLCWPJX-UHFFFAOYSA-N 1 0 395.816 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000839094701 1025592282 /nfs/dbraw/zinc/59/22/82/1025592282.db2.gz AKAIRRPVBTWHJV-MSOLQXFVSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000839136947 1025630815 /nfs/dbraw/zinc/63/08/15/1025630815.db2.gz VAQWJZHBUGXPAO-LJQANCHMSA-N 1 0 387.524 3.603 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(=O)CC)cc1)[C@@H]2CC ZINC001138963990 1025669311 /nfs/dbraw/zinc/66/93/11/1025669311.db2.gz LMYXPZZIYPZRQV-OFNKIYASSA-N 1 0 384.520 3.924 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839201155 1025718623 /nfs/dbraw/zinc/71/86/23/1025718623.db2.gz PQYRNOWJMMEPJX-UHFFFAOYSA-N 1 0 390.896 3.540 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(Cl)ccc1OCC)CC2 ZINC001139005974 1025753093 /nfs/dbraw/zinc/75/30/93/1025753093.db2.gz MKGYACPESJALLH-UHFFFAOYSA-N 1 0 378.900 3.959 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162461306 1025754693 /nfs/dbraw/zinc/75/46/93/1025754693.db2.gz OLJSXQWHVKKSNF-HKUYNNGSSA-N 1 0 375.520 3.564 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162461817 1025755027 /nfs/dbraw/zinc/75/50/27/1025755027.db2.gz RCRLWEYDBLPRGV-FUHWJXTLSA-N 1 0 389.616 3.650 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001139028303 1025793661 /nfs/dbraw/zinc/79/36/61/1025793661.db2.gz RJRCDVASXCJZBK-LADGPHEKSA-N 1 0 394.515 3.987 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2Cc3ccccc3C[C@H]2C[NH3+])c1C#N ZINC001162744141 1025901285 /nfs/dbraw/zinc/90/12/85/1025901285.db2.gz FXTXUJSXTKWKFE-SFHVURJKSA-N 1 0 387.512 3.627 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC001139115150 1025923451 /nfs/dbraw/zinc/92/34/51/1025923451.db2.gz PXQIHUXEZMBTQT-UHFFFAOYSA-N 1 0 394.899 3.578 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2cc(C#N)ccc2Br)CCC[C@]12CCC(=O)N2C ZINC001141657901 1026126027 /nfs/dbraw/zinc/12/60/27/1026126027.db2.gz KJFRRPCPQQPCCL-HKUYNNGSSA-N 1 0 390.325 3.686 20 30 GHEDRO COc1cccc([C@@H](C[NH3+])NC(F)(F)c2cc(Cl)nc(Cl)c2C#N)c1 ZINC001163303411 1026133146 /nfs/dbraw/zinc/13/31/46/1026133146.db2.gz LGGMMQDKOQNVCY-CYBMUJFWSA-N 1 0 387.217 3.608 20 30 GHEDRO COc1cccc([C@@H](C[NH3+])Nc2nc(-c3ccccc3)nc(SC)c2C#N)c1 ZINC001163310110 1026135670 /nfs/dbraw/zinc/13/56/70/1026135670.db2.gz SFBWXSQVSFFSSO-GOSISDBHSA-N 1 0 391.500 3.858 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000839644977 1026156806 /nfs/dbraw/zinc/15/68/06/1026156806.db2.gz RCIMEJCRTRMZTM-FGZHOGPDSA-N 1 0 398.547 3.822 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1cc(Cl)cc(C#N)n1)c1ccc(Cl)cc1 ZINC001163385513 1026173369 /nfs/dbraw/zinc/17/33/69/1026173369.db2.gz WTRGTPJXXMJOSZ-KRWDZBQOSA-N 1 0 379.291 3.991 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c3ccccc3[nH]c1C(=O)OC)C2 ZINC001139397817 1026267235 /nfs/dbraw/zinc/26/72/35/1026267235.db2.gz GTCQVZFAZSSGFF-NZQKXSOJSA-N 1 0 398.503 3.528 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)cc2)c1 ZINC001139401995 1026273122 /nfs/dbraw/zinc/27/31/22/1026273122.db2.gz KKVVMULUQZTFRL-LJQANCHMSA-N 1 0 375.394 3.900 20 30 GHEDRO C[N@@H+]1CCN(c2ccc([C@H](C#N)c3ccccc3F)nn2)[C@H](c2ccccc2)C1 ZINC001163671300 1026275866 /nfs/dbraw/zinc/27/58/66/1026275866.db2.gz BNHCLLKZHHRSCQ-KNQAVFIVSA-N 1 0 387.462 3.764 20 30 GHEDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC[C@H]21 ZINC001139403468 1026276235 /nfs/dbraw/zinc/27/62/35/1026276235.db2.gz UNMGBOZZJDIBKD-JTHBVZDNSA-N 1 0 388.515 3.699 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(N4CC(F)(F)C4)CC3)cn2)cc1 ZINC001139424959 1026296281 /nfs/dbraw/zinc/29/62/81/1026296281.db2.gz AGEQGDWXHSADOI-UHFFFAOYSA-N 1 0 384.430 3.661 20 30 GHEDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)C1 ZINC001139428686 1026300083 /nfs/dbraw/zinc/30/00/83/1026300083.db2.gz MZBBMIBLKIXNBI-HXUWFJFHSA-N 1 0 378.476 3.577 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc1F ZINC001139526655 1026382760 /nfs/dbraw/zinc/38/27/60/1026382760.db2.gz DAQSPYKJHIVLMA-UHFFFAOYSA-N 1 0 389.268 3.943 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3ccc(CCC#N)cc3)CC2)cc1 ZINC001164334723 1026489373 /nfs/dbraw/zinc/48/93/73/1026489373.db2.gz ZDHNXOHIOYYGFJ-UHFFFAOYSA-N 1 0 378.520 3.776 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)c1 ZINC001139645823 1026506913 /nfs/dbraw/zinc/50/69/13/1026506913.db2.gz ARYRZEYZRNLWCW-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]21 ZINC001139704439 1026548698 /nfs/dbraw/zinc/54/86/98/1026548698.db2.gz UVESLHPPZARUIX-APWZRJJASA-N 1 0 380.492 3.871 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC(c4nc(-c5cccnc5)no4)CC3)c[nH]c21 ZINC001139705710 1026551394 /nfs/dbraw/zinc/55/13/94/1026551394.db2.gz YAKRTTXNZFRBOP-UHFFFAOYSA-N 1 0 384.443 3.864 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)cc1C#N ZINC001139724346 1026567268 /nfs/dbraw/zinc/56/72/68/1026567268.db2.gz PPLBQHBRSJTBSP-JOCHJYFZSA-N 1 0 391.515 3.959 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC(C4CC[NH+](C)CC4)CC3)nn2)cc1 ZINC001165065469 1026583924 /nfs/dbraw/zinc/58/39/24/1026583924.db2.gz HZPLZVFJPFYSAO-QFIPXVFZSA-N 1 0 389.547 3.999 20 30 GHEDRO N#Cc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165081328 1026592742 /nfs/dbraw/zinc/59/27/42/1026592742.db2.gz IRCVCJROKFOLNA-VGSWGCGISA-N 1 0 399.454 3.725 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1nc(Cl)c(C#N)cc1C#N ZINC001165184358 1026652535 /nfs/dbraw/zinc/65/25/35/1026652535.db2.gz WQJMCAHEBCLZRH-HNAYVOBHSA-N 1 0 379.895 3.825 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001165246257 1026678981 /nfs/dbraw/zinc/67/89/81/1026678981.db2.gz HBYBSEZDFCCKSN-UHFFFAOYSA-N 1 0 383.883 3.906 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1occc1CN1c2ccccc2C[C@H]1C ZINC001139870044 1026684461 /nfs/dbraw/zinc/68/44/61/1026684461.db2.gz WYWYWMJOCTZNRC-GOSISDBHSA-N 1 0 381.520 3.811 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1 ZINC001139874523 1026690144 /nfs/dbraw/zinc/69/01/44/1026690144.db2.gz BBCFHNYHSIHJSG-HSZRJFAPSA-N 1 0 375.447 3.598 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)c2ccccc21 ZINC001139875008 1026692290 /nfs/dbraw/zinc/69/22/90/1026692290.db2.gz RBTFOUDGJKJEHO-IBGZPJMESA-N 1 0 391.490 3.855 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1=O ZINC001140094635 1026872568 /nfs/dbraw/zinc/87/25/68/1026872568.db2.gz KPLALZFLRDOARM-NRFANRHFSA-N 1 0 385.508 3.950 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140110683 1026891863 /nfs/dbraw/zinc/89/18/63/1026891863.db2.gz QHNNMIGCIFFFNV-SJLPKXTDSA-N 1 0 380.492 3.728 20 30 GHEDRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140137599 1026911174 /nfs/dbraw/zinc/91/11/74/1026911174.db2.gz OLYBILFUINOAIP-FQEVSTJZSA-N 1 0 377.463 3.678 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(c1[nH+]ccc3cc(OC)c(OC)cc31)CCO2 ZINC001166367651 1026986154 /nfs/dbraw/zinc/98/61/54/1026986154.db2.gz BAQUHZNGQKTHPT-WZONZLPQSA-N 1 0 398.503 3.830 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3n[nH]c4ccc(Cl)cc34)C2)C1 ZINC001209750634 1027141068 /nfs/dbraw/zinc/14/10/68/1027141068.db2.gz KPMWERJGDKVCQM-HXUWFJFHSA-N 1 0 388.899 3.827 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(Cl)cc3C(F)(F)F)CC2)C1=O ZINC001276408482 1027262495 /nfs/dbraw/zinc/26/24/95/1027262495.db2.gz HSCWIBFAIAHADG-UHFFFAOYSA-N 1 0 384.829 3.807 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001210221106 1027389467 /nfs/dbraw/zinc/38/94/67/1027389467.db2.gz KANWLGLQQKDQLB-MRXNPFEDSA-N 1 0 391.562 3.576 20 30 GHEDRO CCCc1c(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cnn1-c1cccc(C#N)c1 ZINC001203573125 1027441290 /nfs/dbraw/zinc/44/12/90/1027441290.db2.gz NYDDBSYTEFZGGX-SFHVURJKSA-N 1 0 394.523 3.550 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)Nc3ccc(CCC#N)cc3)c2)CC1 ZINC001203728872 1027559000 /nfs/dbraw/zinc/55/90/00/1027559000.db2.gz TXULZRKZVQOHES-UHFFFAOYSA-N 1 0 377.492 3.929 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC001203762919 1027586059 /nfs/dbraw/zinc/58/60/59/1027586059.db2.gz YBUBIXLVVHXAKF-GOTSBHOMSA-N 1 0 377.488 3.541 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccc(F)c4)C3)C2)c1 ZINC001203785486 1027602783 /nfs/dbraw/zinc/60/27/83/1027602783.db2.gz CHHVWNKEUJPOGO-HSZRJFAPSA-N 1 0 379.479 3.816 20 30 GHEDRO COc1c(F)c(F)c(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c(F)c1F ZINC001210763108 1027644429 /nfs/dbraw/zinc/64/44/29/1027644429.db2.gz JUIQSHUBNJAHAE-UHFFFAOYSA-N 1 0 394.372 3.619 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CCCCC1 ZINC001210827093 1027665277 /nfs/dbraw/zinc/66/52/77/1027665277.db2.gz UASLRNHOZRIAFP-INIZCTEOSA-N 1 0 382.430 3.725 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001203892173 1027685414 /nfs/dbraw/zinc/68/54/14/1027685414.db2.gz VCSLDXLRPDAGLM-XMMPIXPASA-N 1 0 375.516 3.986 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)cc1 ZINC001203901060 1027694424 /nfs/dbraw/zinc/69/44/24/1027694424.db2.gz FENFURZRKODPEA-HXUWFJFHSA-N 1 0 386.421 3.830 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001203901982 1027694983 /nfs/dbraw/zinc/69/49/83/1027694983.db2.gz UWLGVCPPLIGWJZ-RPWUZVMVSA-N 1 0 379.548 3.519 20 30 GHEDRO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001203902658 1027696313 /nfs/dbraw/zinc/69/63/13/1027696313.db2.gz JLSPVOJGIMYMHF-RUZDIDTESA-N 1 0 396.494 3.998 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141943593 1027721597 /nfs/dbraw/zinc/72/15/97/1027721597.db2.gz BAOQJWLKUSIUKY-WOJBJXKFSA-N 1 0 395.528 3.986 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc1 ZINC001203955794 1027753002 /nfs/dbraw/zinc/75/30/02/1027753002.db2.gz LPHNIYIFKUKZIQ-XMMPIXPASA-N 1 0 391.515 3.686 20 30 GHEDRO C=CC[NH+]1CCC(NC(=S)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000840728185 1027768019 /nfs/dbraw/zinc/76/80/19/1027768019.db2.gz UMLZBDNAWROHFU-CYBMUJFWSA-N 1 0 382.371 3.625 20 30 GHEDRO C(#Cc1ccccc1)c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)s1 ZINC001141977306 1027792728 /nfs/dbraw/zinc/79/27/28/1027792728.db2.gz ABIIWCAVYLAQRR-UHFFFAOYSA-N 1 0 375.497 3.981 20 30 GHEDRO Cc1cccc(-c2noc([C@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)c1Cl ZINC001211379367 1027931067 /nfs/dbraw/zinc/93/10/67/1027931067.db2.gz GXJBNFYGACAXQR-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000841179031 1028251702 /nfs/dbraw/zinc/25/17/02/1028251702.db2.gz LWRLVMIJNAZJHG-HHXXYDBFSA-N 1 0 396.466 3.631 20 30 GHEDRO Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841182465 1028257403 /nfs/dbraw/zinc/25/74/03/1028257403.db2.gz GWWYQLPHFXAKFD-DYVFJYSZSA-N 1 0 395.463 3.644 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 ZINC000841310613 1028406925 /nfs/dbraw/zinc/40/69/25/1028406925.db2.gz FOTDVOGNHPSOLY-UHFFFAOYSA-N 1 0 381.436 3.880 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)ccc1OC ZINC000841396372 1028565882 /nfs/dbraw/zinc/56/58/82/1028565882.db2.gz PUEUJEMRXIMFBH-PMACEKPBSA-N 1 0 395.503 3.685 20 30 GHEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCCO1 ZINC001214238340 1028613836 /nfs/dbraw/zinc/61/38/36/1028613836.db2.gz NQVMRSUJJSOFOC-HXUWFJFHSA-N 1 0 391.515 3.709 20 30 GHEDRO CCOc1cc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)ccc1OC(F)F ZINC000841493679 1028694178 /nfs/dbraw/zinc/69/41/78/1028694178.db2.gz UJAYUNOVVYDSFB-KRWDZBQOSA-N 1 0 376.403 3.724 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001214630643 1028825821 /nfs/dbraw/zinc/82/58/21/1028825821.db2.gz XPUIQRMYRXOPDY-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(F)c1I ZINC001461460380 1069560125 /nfs/dbraw/zinc/56/01/25/1069560125.db2.gz GTQLYAOLYLYBPD-SWLSCSKDSA-N 1 0 375.225 3.501 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1)c1ccccc1 ZINC001215082725 1029030204 /nfs/dbraw/zinc/03/02/04/1029030204.db2.gz OFTRXUROAVPKJX-FQEVSTJZSA-N 1 0 395.503 3.912 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC001215509032 1029246197 /nfs/dbraw/zinc/24/61/97/1029246197.db2.gz WNTAZYUWMTVJHS-MRXNPFEDSA-N 1 0 375.488 3.860 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2[nH]c(=S)[nH]c(=O)c2N=Cc2ccccc2)c1F ZINC001216221488 1029574182 /nfs/dbraw/zinc/57/41/82/1029574182.db2.gz FRWUWBGXPPIKHN-LSHDLFTRSA-N 1 0 383.452 3.824 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC(NC(=O)c4ccccc4F)CC3)c[nH]c2c1 ZINC001142926158 1029702390 /nfs/dbraw/zinc/70/23/90/1029702390.db2.gz KTHVEORASKECFK-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)[C@@H](O)C(C)C)cc1OC ZINC001461578852 1069619880 /nfs/dbraw/zinc/61/98/80/1069619880.db2.gz GKEUEMVDZRURIM-RDJZCZTQSA-N 1 0 386.330 3.908 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)[C@@H]1c1ccccc1 ZINC001143170983 1029880698 /nfs/dbraw/zinc/88/06/98/1029880698.db2.gz NPIRMTFCUMQLOC-FQEVSTJZSA-N 1 0 381.426 3.632 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(F)c(OC)c3F)C2)CC1 ZINC001143305005 1030009000 /nfs/dbraw/zinc/00/90/00/1030009000.db2.gz ZVMDBDTWTMUAQO-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC001149123488 1030068184 /nfs/dbraw/zinc/06/81/84/1030068184.db2.gz ZPGAXBRKSVOSHC-UHFFFAOYSA-N 1 0 376.504 3.971 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CNc4ccc(F)cc43)CC2)cc1OC ZINC001222325526 1030073131 /nfs/dbraw/zinc/07/31/31/1030073131.db2.gz FJWQNFPBOMZHHY-UHFFFAOYSA-N 1 0 380.463 3.806 20 30 GHEDRO Cc1cc(-c2noc(-c3ccc4ccc(N5CC[NH+](C)CC5)n4c3)n2)ccc1C#N ZINC001217232725 1030249816 /nfs/dbraw/zinc/24/98/16/1030249816.db2.gz XVKQDHGCABVVSU-UHFFFAOYSA-N 1 0 398.470 3.588 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)n3C)CC2)C1=O ZINC001276851263 1030357736 /nfs/dbraw/zinc/35/77/36/1030357736.db2.gz IVRKNHOPIOKJEM-IBGZPJMESA-N 1 0 394.357 3.568 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](OCc3ccc(C(C)(C)C#N)cc3)C[C@H]2C1 ZINC001223153478 1030461377 /nfs/dbraw/zinc/46/13/77/1030461377.db2.gz RUSRJIACTFPIKD-PMACEKPBSA-N 1 0 399.535 3.698 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)CC)CC2 ZINC001217614502 1030536893 /nfs/dbraw/zinc/53/68/93/1030536893.db2.gz PSDLMLOVOJPHSR-OAHLLOKOSA-N 1 0 376.570 3.761 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4cccc5c(C#N)c[nH]c54)n3)cc2)CC1 ZINC001217674155 1030593263 /nfs/dbraw/zinc/59/32/63/1030593263.db2.gz MRWWOWSOKQCHHU-UHFFFAOYSA-N 1 0 384.443 3.508 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[NH2+]CC[C@@H]2F)c1 ZINC001218020653 1030727593 /nfs/dbraw/zinc/72/75/93/1030727593.db2.gz CGCSEZJLDIAOMG-PMACEKPBSA-N 1 0 397.446 3.868 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@H]3CC[NH2+]CC[C@@H]3F)c2C1=O ZINC001218026412 1030729431 /nfs/dbraw/zinc/72/94/31/1030729431.db2.gz UDQDPUZRAZFLQP-YJBOKZPZSA-N 1 0 387.451 3.913 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001223833618 1030774502 /nfs/dbraw/zinc/77/45/02/1030774502.db2.gz ZTHIHEBNBUWKHG-TZIWHRDSSA-N 1 0 387.568 3.865 20 30 GHEDRO O/N=C(\OC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC001223884273 1030787057 /nfs/dbraw/zinc/78/70/57/1030787057.db2.gz FSCLBMBGWBOHSX-JZJYNLBNSA-N 1 0 376.254 3.666 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccsc3Br)CC2)C1=O ZINC001276774109 1030802027 /nfs/dbraw/zinc/80/20/27/1030802027.db2.gz IWAORNPPNHOSJT-QGZVFWFLSA-N 1 0 383.355 3.901 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC001218186035 1030812045 /nfs/dbraw/zinc/81/20/45/1030812045.db2.gz KSZOXBLYZLJDFH-XEMDLRDOSA-N 1 0 399.512 3.746 20 30 GHEDRO COC(=O)C[C@@H]([NH3+])c1cccc(O[C@@H](C)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC001218196285 1030820384 /nfs/dbraw/zinc/82/03/84/1030820384.db2.gz ITWOSSKKKAMLLL-GZMMTYOYSA-N 1 0 391.283 3.850 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(OC)c(OC)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001218208480 1030830435 /nfs/dbraw/zinc/83/04/35/1030830435.db2.gz NBPWHVXFEBMFSY-FQEVSTJZSA-N 1 0 393.439 3.774 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001218237246 1030845107 /nfs/dbraw/zinc/84/51/07/1030845107.db2.gz GCDFAUUPIMNTHU-IBGZPJMESA-N 1 0 399.512 3.605 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[NH2+]CC3(C)C)c(C#N)c2)nc1C ZINC001218313856 1030887181 /nfs/dbraw/zinc/88/71/81/1030887181.db2.gz DVWYTTIKOAQHAO-QGZVFWFLSA-N 1 0 399.516 3.934 20 30 GHEDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc(-c2ccc(C#N)cc2)cc1I ZINC001218383397 1030914406 /nfs/dbraw/zinc/91/44/06/1030914406.db2.gz OEMJROGETRLGTE-APPDUMDISA-N 1 0 390.224 3.569 20 30 GHEDRO COc1cc(O[C@@H]2C[NH2+]CCC23CC3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218404600 1030922858 /nfs/dbraw/zinc/92/28/58/1030922858.db2.gz OYCNKZSKBDJVME-LQPWBEKMSA-N 1 0 379.456 3.818 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001218404543 1030923317 /nfs/dbraw/zinc/92/33/17/1030923317.db2.gz JKWXSWWKVZCOQV-OXEQFOPISA-N 1 0 383.444 3.522 20 30 GHEDRO COc1cc(O[C@H]2C[NH2+]CCC23CC3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218407053 1030925118 /nfs/dbraw/zinc/92/51/18/1030925118.db2.gz SMRMIAACZBHAOX-XPUAEESYSA-N 1 0 379.456 3.818 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2C[NH2+]CCC2(F)F)c1C(=O)/C=C/c1ccccc1 ZINC001218454769 1030943557 /nfs/dbraw/zinc/94/35/57/1030943557.db2.gz SRLKJDGMUNYYGS-IHHMQQGQSA-N 1 0 389.398 3.673 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001218478319 1030953301 /nfs/dbraw/zinc/95/33/01/1030953301.db2.gz UPKSGXYAKMLDDO-YIBBXTSBSA-N 1 0 379.456 3.872 20 30 GHEDRO N#Cc1cc2cccnc2nc1NC(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC001218543687 1030980823 /nfs/dbraw/zinc/98/08/23/1030980823.db2.gz YQLHGHWMGLQGBW-NRFANRHFSA-N 1 0 393.450 3.599 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]([NH3+])Cc1ccccc1C(F)(F)F ZINC001218559797 1030986636 /nfs/dbraw/zinc/98/66/36/1030986636.db2.gz LDIARGOFLVRHKE-HNNXBMFYSA-N 1 0 378.398 3.642 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC001152123016 1031111817 /nfs/dbraw/zinc/11/18/17/1031111817.db2.gz UGXWERGTTRZRJD-UHFFFAOYSA-N 1 0 394.338 3.943 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC001224844742 1031144911 /nfs/dbraw/zinc/14/49/11/1031144911.db2.gz HYUKMTQCGFQIDN-ROUUACIJSA-N 1 0 382.552 3.993 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC001224844740 1031145213 /nfs/dbraw/zinc/14/52/13/1031145213.db2.gz HYUKMTQCGFQIDN-QZTJIDSGSA-N 1 0 382.552 3.993 20 30 GHEDRO CCN(CC)c1ccc(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)c(C)c1 ZINC001218922930 1031153243 /nfs/dbraw/zinc/15/32/43/1031153243.db2.gz FLRFNOAFNVKYTE-JPYJTQIMSA-N 1 0 390.531 3.872 20 30 GHEDRO CCN(CC)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)c(C)c1 ZINC001218923810 1031154534 /nfs/dbraw/zinc/15/45/34/1031154534.db2.gz VDBPQSCINDWKCQ-RTWAWAEBSA-N 1 0 376.504 3.655 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC001219069357 1031239140 /nfs/dbraw/zinc/23/91/40/1031239140.db2.gz HWIBIAASTIWYHI-UHFFFAOYSA-N 1 0 389.912 3.763 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2ccc(OC(F)(F)F)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC001219276817 1031336719 /nfs/dbraw/zinc/33/67/19/1031336719.db2.gz WFVVSAYLIDBVNK-CQSZACIVSA-N 1 0 380.288 3.688 20 30 GHEDRO C[N@@H+](Cc1ccccc1Nc1ccnc(C#N)c1)C[C@@H](O)c1ccc(Cl)cc1 ZINC001206649322 1031709453 /nfs/dbraw/zinc/70/94/53/1031709453.db2.gz VTFMSBJGURSRPM-JOCHJYFZSA-N 1 0 392.890 3.938 20 30 GHEDRO C[C@]12CC3CC(NC(=O)[C@@H]4C[C@@H](Cc5ccccc5C#N)C[NH2+]4)(C1)C[C@@](C)(C3)C2 ZINC001219994672 1031735463 /nfs/dbraw/zinc/73/54/63/1031735463.db2.gz ZLZSOMVDNLCBHY-FGHBDYIGSA-N 1 0 391.559 3.944 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H](CC#N)C(F)(F)F ZINC001220098267 1031784559 /nfs/dbraw/zinc/78/45/59/1031784559.db2.gz OXBUHOGCOUAKJP-YOEHRIQHSA-N 1 0 382.430 3.705 20 30 GHEDRO O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001220286486 1031880252 /nfs/dbraw/zinc/88/02/52/1031880252.db2.gz KNVBKQMNYMZGOY-IAGOWNOFSA-N 1 0 394.858 3.516 20 30 GHEDRO CC1(C)CC(=O)C=C(NC(=O)C[C@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001220414079 1031931493 /nfs/dbraw/zinc/93/14/93/1031931493.db2.gz WYFJPCBLJFNNIW-HNNXBMFYSA-N 1 0 384.495 3.714 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](Nc2ccccc2)C1)C(C)C ZINC001220597749 1032003121 /nfs/dbraw/zinc/00/31/21/1032003121.db2.gz HPOFSPUGFSRMJR-YADHBBJMSA-N 1 0 384.568 3.971 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001220664190 1032050926 /nfs/dbraw/zinc/05/09/26/1032050926.db2.gz YUEYTESAUMQEPC-OXJNMPFZSA-N 1 0 375.472 3.547 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2nc3c(c(C#N)c2C#N)CCCCCC3)cn1 ZINC001205217447 1033311080 /nfs/dbraw/zinc/31/10/80/1033311080.db2.gz FKUMMLBJXWVSFS-UHFFFAOYSA-N 1 0 389.503 3.876 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(C)cncc3Br)CC2)C1=O ZINC001277392777 1033519205 /nfs/dbraw/zinc/51/92/05/1033519205.db2.gz MQDAFGPLAGZJDO-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3C[NH+]4CCC3CC4)c(C#N)c2)nc1C ZINC001229533943 1033544087 /nfs/dbraw/zinc/54/40/87/1033544087.db2.gz PWTAZYQSFDTORJ-SFHVURJKSA-N 1 0 397.500 3.640 20 30 GHEDRO C#C[C@H](CC)[NH2+]Cc1cc(I)c(Br)cc1F ZINC001205714079 1033544315 /nfs/dbraw/zinc/54/43/15/1033544315.db2.gz QXRMBKCBAGXCTK-SECBINFHSA-N 1 0 396.041 3.694 20 30 GHEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001205781987 1033571071 /nfs/dbraw/zinc/57/10/71/1033571071.db2.gz VUWVLCWVGUCVOT-CYBMUJFWSA-N 1 0 386.277 3.954 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N[C@H]3C[NH2+]CC[C@H]3F)cc2c1Cl ZINC001157451489 1033598764 /nfs/dbraw/zinc/59/87/64/1033598764.db2.gz FCBHRVOLIRZVJI-YPMHNXCESA-N 1 0 389.208 3.752 20 30 GHEDRO C=C[C@H](CC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001157496935 1033620630 /nfs/dbraw/zinc/62/06/30/1033620630.db2.gz WTSIPEPHEZLROB-HSZRJFAPSA-N 1 0 391.559 3.623 20 30 GHEDRO C[N@@H+]1CCc2cc(Cl)c(O[C@H]3CCN(CC#N)C3)cc2[C@@H](c2ccccc2)C1 ZINC001229705384 1033654566 /nfs/dbraw/zinc/65/45/66/1033654566.db2.gz ZZGVEHIUEASWKX-PZJWPPBQSA-N 1 0 395.934 3.936 20 30 GHEDRO Cc1nc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c(C#N)cc1-c1ccc2nccn2c1 ZINC001229769118 1033700585 /nfs/dbraw/zinc/70/05/85/1033700585.db2.gz QVAUGTJOHQYOHD-LJQANCHMSA-N 1 0 375.476 3.828 20 30 GHEDRO O=C(c1ccc(C#CBr)cc1)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158046933 1033882001 /nfs/dbraw/zinc/88/20/01/1033882001.db2.gz WRGZZPBKXHNJMP-HXUWFJFHSA-N 1 0 389.337 3.777 20 30 GHEDRO C=CC[N@@H+]1CCc2c(Cl)c(OC3CN(C)C3)c(O)cc2[C@H](c2ccccc2)C1 ZINC001230088995 1033893499 /nfs/dbraw/zinc/89/34/99/1033893499.db2.gz MZEOXPPBGOEDIQ-FQEVSTJZSA-N 1 0 398.934 3.914 20 30 GHEDRO C#CC[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1ccccc1 ZINC001230565908 1034124469 /nfs/dbraw/zinc/12/44/69/1034124469.db2.gz NCLVONNFPKNPEH-NZQKXSOJSA-N 1 0 375.516 3.915 20 30 GHEDRO C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001207175210 1034146030 /nfs/dbraw/zinc/14/60/30/1034146030.db2.gz RCUCFISLUUABNO-QUCCMNQESA-N 1 0 398.551 3.716 20 30 GHEDRO C=CCN(CC[NH+]1CCC2(CC1)OC(=O)c1ccccc12)C(=O)OC(C)(C)C ZINC001207206300 1034174517 /nfs/dbraw/zinc/17/45/17/1034174517.db2.gz URFGZPIYCACUSE-UHFFFAOYSA-N 1 0 386.492 3.571 20 30 GHEDRO CC(C)(C[NH+]1CCN(c2nccnc2C#N)CC1)Sc1ccc(Cl)cc1 ZINC001207297707 1034250595 /nfs/dbraw/zinc/25/05/95/1034250595.db2.gz XBGYBOSBMBTYDD-UHFFFAOYSA-N 1 0 387.940 3.695 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C ZINC001207339724 1034287256 /nfs/dbraw/zinc/28/72/56/1034287256.db2.gz RWZYOOJAVSNYJL-KRWDZBQOSA-N 1 0 379.464 3.660 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCc1cccc(OC)c1)CC2 ZINC001207426496 1034361420 /nfs/dbraw/zinc/36/14/20/1034361420.db2.gz BOKGRVQTWKJGHB-UHFFFAOYSA-N 1 0 381.520 3.605 20 30 GHEDRO C#CC[C@@H](C)Oc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC001231099732 1034397955 /nfs/dbraw/zinc/39/79/55/1034397955.db2.gz BABBTWWIHRSRKK-OAHLLOKOSA-N 1 0 388.443 3.878 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c(C)cc(Cl)nc3Cl)CC2)C1=O ZINC001277505759 1034511391 /nfs/dbraw/zinc/51/13/91/1034511391.db2.gz BVLJBJAFIQQOQJ-LJQANCHMSA-N 1 0 380.319 3.535 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)Cc2c(C)cc(C#N)cc2C)[NH+](C)C)cc1 ZINC001159267089 1034512989 /nfs/dbraw/zinc/51/29/89/1034512989.db2.gz NLGBHKFBTIPSCR-OAQYLSRUSA-N 1 0 381.545 3.859 20 30 GHEDRO C=CCNC(=O)c1cccnc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001159292893 1034527562 /nfs/dbraw/zinc/52/75/62/1034527562.db2.gz LSLICSPMZWCQCN-OWZKRDHZSA-N 1 0 376.504 3.605 20 30 GHEDRO N#Cc1cc(F)cnc1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001159515658 1034631567 /nfs/dbraw/zinc/63/15/67/1034631567.db2.gz PNEBJVJUOKNYON-JOCHJYFZSA-N 1 0 390.462 3.568 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159546204 1034656075 /nfs/dbraw/zinc/65/60/75/1034656075.db2.gz SNSUGBVEMWPGRG-UHFFFAOYSA-N 1 0 380.870 3.885 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001159634900 1034698481 /nfs/dbraw/zinc/69/84/81/1034698481.db2.gz SZCZVTHQCUSDLP-QZTJIDSGSA-N 1 0 377.326 3.750 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001159634899 1034698600 /nfs/dbraw/zinc/69/86/00/1034698600.db2.gz SZCZVTHQCUSDLP-MSOLQXFVSA-N 1 0 377.326 3.750 20 30 GHEDRO Cc1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1I ZINC001159704056 1034717427 /nfs/dbraw/zinc/71/74/27/1034717427.db2.gz RXFCQFKETPEVCH-UHFFFAOYSA-N 1 0 389.240 3.902 20 30 GHEDRO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ncc1C#N ZINC001208085491 1034728953 /nfs/dbraw/zinc/72/89/53/1034728953.db2.gz NAOPVXJIDFFXSS-HXUWFJFHSA-N 1 0 389.503 3.686 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(F)cc1OC)CC2 ZINC001231602574 1034760215 /nfs/dbraw/zinc/76/02/15/1034760215.db2.gz QJZMQULALVMNQH-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C=C(C)[C@@H]1CC=C(CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001208175362 1034774475 /nfs/dbraw/zinc/77/44/75/1034774475.db2.gz UWTOLQRVRFHLAY-LWSSLDFYSA-N 1 0 395.595 3.756 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC001208175360 1034774605 /nfs/dbraw/zinc/77/46/05/1034774605.db2.gz UWAASOVMSRNEMM-OFNKIYASSA-N 1 0 380.536 3.707 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)CC1 ZINC001208176141 1034775309 /nfs/dbraw/zinc/77/53/09/1034775309.db2.gz BCNQFMDUWNRPLY-RZUBCFFCSA-N 1 0 387.593 3.887 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CCN(C(=O)c3ccccc3)C2)CC1 ZINC001231618762 1034775805 /nfs/dbraw/zinc/77/58/05/1034775805.db2.gz LCKTVFKFDFWNES-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001231619110 1034776653 /nfs/dbraw/zinc/77/66/53/1034776653.db2.gz QHXIASIDRUCADR-GGAORHGYSA-N 1 0 377.488 3.781 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001231619616 1034778231 /nfs/dbraw/zinc/77/82/31/1034778231.db2.gz OAWKSRNYOKGQFR-JTHBVZDNSA-N 1 0 384.520 3.897 20 30 GHEDRO C=CCOc1cccc(CN2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)c1 ZINC001231622167 1034779876 /nfs/dbraw/zinc/77/98/76/1034779876.db2.gz SLTDXGHGCXEDRI-HXUWFJFHSA-N 1 0 381.520 3.994 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1 ZINC001231622654 1034780650 /nfs/dbraw/zinc/78/06/50/1034780650.db2.gz CKSAAHDFEXROCU-DNVJHFABSA-N 1 0 380.488 3.847 20 30 GHEDRO C=CCOc1cccc(C[N@@H+](CCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001231624746 1034784785 /nfs/dbraw/zinc/78/47/85/1034784785.db2.gz VJRSKYLNZGEIJR-IBGZPJMESA-N 1 0 390.524 3.709 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC001208215707 1034806626 /nfs/dbraw/zinc/80/66/26/1034806626.db2.gz NRDQGPKCLWSNAL-SXSPYAJSSA-N 1 0 387.520 3.668 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2C[C@H]3Cc4c(c(-c5cccc(OC)c5)nn4C)[C@H]3C2)c1 ZINC001231655537 1034813058 /nfs/dbraw/zinc/81/30/58/1034813058.db2.gz QPEADFDNAVYXGI-IRLDBZIGSA-N 1 0 383.495 3.849 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001160143513 1034878885 /nfs/dbraw/zinc/87/88/85/1034878885.db2.gz QMVBBWJQVBEBKQ-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccnc1OC(C)C)CC2 ZINC001231755533 1034885496 /nfs/dbraw/zinc/88/54/96/1034885496.db2.gz YPYFAFBXNNRXCS-UHFFFAOYSA-N 1 0 387.524 3.869 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)cc1 ZINC001231817481 1034926201 /nfs/dbraw/zinc/92/62/01/1034926201.db2.gz IFNZFJZRCKPVJD-UHFFFAOYSA-N 1 0 375.472 3.698 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001231820130 1034928119 /nfs/dbraw/zinc/92/81/19/1034928119.db2.gz MDCYVSYTANNKHM-HDICACEKSA-N 1 0 386.540 3.866 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)cc1 ZINC001231820354 1034928175 /nfs/dbraw/zinc/92/81/75/1034928175.db2.gz FMKZDABVNOLZLF-UHFFFAOYSA-N 1 0 385.899 3.523 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)cc1 ZINC001231822140 1034929954 /nfs/dbraw/zinc/92/99/54/1034929954.db2.gz VYXZKNVXUSGNFY-DEOSSOPVSA-N 1 0 389.499 3.878 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ncccc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001231958400 1035006565 /nfs/dbraw/zinc/00/65/65/1035006565.db2.gz STSCYUOOXDCPBT-GCJKJVERSA-N 1 0 381.907 3.739 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ncccc4Cl)C3)C2)c1 ZINC001231959303 1035007790 /nfs/dbraw/zinc/00/77/90/1035007790.db2.gz BWQSJZMUVKBLPW-QFIPXVFZSA-N 1 0 396.922 3.726 20 30 GHEDRO N#Cc1cc2c(nc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O)CCC2 ZINC001160623262 1035018661 /nfs/dbraw/zinc/01/86/61/1035018661.db2.gz IROXHGOCJLSWJD-FGZHOGPDSA-N 1 0 386.455 3.706 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001231979772 1035021624 /nfs/dbraw/zinc/02/16/24/1035021624.db2.gz VGDGSUSAIWFGPH-UHFFFAOYSA-N 1 0 384.955 3.680 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](CCCc3cccc(C#N)c3)C2)CC1 ZINC001208844785 1035054123 /nfs/dbraw/zinc/05/41/23/1035054123.db2.gz LOAVKWQSPVOLPA-UHFFFAOYSA-N 1 0 381.520 3.991 20 30 GHEDRO CC(C)[C@@]1(C(=O)N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CCC[NH2+]C1 ZINC001160750754 1035055274 /nfs/dbraw/zinc/05/52/74/1035055274.db2.gz LOSSTACGRYWELL-OAQYLSRUSA-N 1 0 389.927 3.607 20 30 GHEDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208849561 1035057021 /nfs/dbraw/zinc/05/70/21/1035057021.db2.gz IDQDWMOPYWEGMA-QHCPKHFHSA-N 1 0 387.527 3.971 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001208849882 1035057385 /nfs/dbraw/zinc/05/73/85/1035057385.db2.gz OZJVYOZRRZBFOD-FQEVSTJZSA-N 1 0 395.478 3.727 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001208852013 1035058679 /nfs/dbraw/zinc/05/86/79/1035058679.db2.gz QQMMPVQBVJZQSV-UHFFFAOYSA-N 1 0 395.572 3.919 20 30 GHEDRO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](CCCc3cccc(C#N)c3)C2)c1 ZINC001208853953 1035059925 /nfs/dbraw/zinc/05/99/25/1035059925.db2.gz CZGDVFKPQGTQEE-OAQYLSRUSA-N 1 0 382.529 3.774 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC001208862334 1035064755 /nfs/dbraw/zinc/06/47/55/1035064755.db2.gz VQKRMNPKRLWTAW-NRFANRHFSA-N 1 0 397.473 3.519 20 30 GHEDRO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(C#N)s1)CC2 ZINC001276596550 1035075064 /nfs/dbraw/zinc/07/50/64/1035075064.db2.gz WDAZYKQHGLLLQY-UHFFFAOYSA-N 1 0 386.546 3.513 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC001232113668 1035102588 /nfs/dbraw/zinc/10/25/88/1035102588.db2.gz YIOORQPNFSXEJT-IAGOWNOFSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)cc1Cl ZINC001232114266 1035103346 /nfs/dbraw/zinc/10/33/46/1035103346.db2.gz GCJVTVFAOFWBPE-LJQANCHMSA-N 1 0 379.891 3.707 20 30 GHEDRO C[NH2+]CCC(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1 ZINC001160959227 1035105366 /nfs/dbraw/zinc/10/53/66/1035105366.db2.gz PSUBPXXKVQDBKE-HOFJZWJUSA-N 1 0 388.511 3.791 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208937994 1035105484 /nfs/dbraw/zinc/10/54/84/1035105484.db2.gz YWHINDIHAOISOR-UBFVSLLYSA-N 1 0 398.591 3.972 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N(C)C1(C)CC[NH2+]CC1 ZINC001161072552 1035134269 /nfs/dbraw/zinc/13/42/69/1035134269.db2.gz AISWPFIJRUNJKV-UHFFFAOYSA-N 1 0 381.605 3.966 20 30 GHEDRO O=C(N1CCC(C#Cc2ccccc2)CC1)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001161153160 1035162212 /nfs/dbraw/zinc/16/22/12/1035162212.db2.gz ZQKOZHIUHIKZHL-AREMUKBSSA-N 1 0 386.539 3.889 20 30 GHEDRO N#Cc1ccc2ncnc(NCC3CC[NH+](Cc4ccccc4F)CC3)c2c1 ZINC001161193478 1035175154 /nfs/dbraw/zinc/17/51/54/1035175154.db2.gz MJJGADAZMOOLEX-UHFFFAOYSA-N 1 0 375.451 3.965 20 30 GHEDRO C=CCCc1ccc(C(=O)N(Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)c(=O)[nH]1 ZINC001161286719 1035202436 /nfs/dbraw/zinc/20/24/36/1035202436.db2.gz VWXRLJQNKTWJRL-UHFFFAOYSA-N 1 0 397.494 3.748 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCc4cccs4)C3)C2)c1 ZINC001209225344 1035211624 /nfs/dbraw/zinc/21/16/24/1035211624.db2.gz PAGVXPOJYVGDQF-JOCHJYFZSA-N 1 0 381.545 3.781 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161491433 1035240759 /nfs/dbraw/zinc/24/07/59/1035240759.db2.gz KMYGKHGHTMVQRY-UHFFFAOYSA-N 1 0 387.462 3.931 20 30 GHEDRO N#CC[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001209331126 1035243863 /nfs/dbraw/zinc/24/38/63/1035243863.db2.gz ZKRJEQYCTFJFHN-MJGOQNOKSA-N 1 0 394.441 3.529 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001209596259 1035322563 /nfs/dbraw/zinc/32/25/63/1035322563.db2.gz PBWCGJQZXHVKHH-UYAOXDASSA-N 1 0 375.900 3.790 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cc(F)cc(C(F)(F)F)c3)no2)c1 ZINC001248154251 1035580614 /nfs/dbraw/zinc/58/06/14/1035580614.db2.gz DLCKASZEALASCU-MRXNPFEDSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cccc4nccc(Cl)c43)no2)c1 ZINC001248155531 1035581657 /nfs/dbraw/zinc/58/16/57/1035581657.db2.gz RRQHVIHIUZQQQI-OAHLLOKOSA-N 1 0 389.846 3.922 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@H]4CCCN([C@@H]5CC[NH2+]C5)C4)n3)cc2)cc1 ZINC001248312851 1035747426 /nfs/dbraw/zinc/74/74/26/1035747426.db2.gz CLELBLDGXSRGBJ-FCHUYYIVSA-N 1 0 399.498 3.817 20 30 GHEDRO N#Cc1c(C#N)c(-c2ccc(CN3CC[NH2+]CC3)cc2)nc2c1CCCCCC2 ZINC001241977825 1035773032 /nfs/dbraw/zinc/77/30/32/1035773032.db2.gz YUYBGUIOQAMCOG-UHFFFAOYSA-N 1 0 385.515 3.556 20 30 GHEDRO N#Cc1cc(-c2ccc3c(cnn3[C@H]3CCCCO3)c2)ccc1N1CC[NH2+]CC1 ZINC001242448286 1035908582 /nfs/dbraw/zinc/90/85/82/1035908582.db2.gz RKIRRCAIMDSPMJ-HSZRJFAPSA-N 1 0 387.487 3.684 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001248748704 1036105993 /nfs/dbraw/zinc/10/59/93/1036105993.db2.gz SRQBHPXVUZVSOQ-NHCUHLMSSA-N 1 0 399.535 3.578 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001248749644 1036106779 /nfs/dbraw/zinc/10/67/79/1036106779.db2.gz GVPGAZRMIFJOCM-LADGPHEKSA-N 1 0 391.515 3.966 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 ZINC001248750608 1036108671 /nfs/dbraw/zinc/10/86/71/1036108671.db2.gz PVWSERILGMCJTQ-JOCHJYFZSA-N 1 0 394.544 3.510 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@H+](CC)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001248752822 1036110239 /nfs/dbraw/zinc/11/02/39/1036110239.db2.gz CRVMWMLJOAKQCU-XMMPIXPASA-N 1 0 377.532 3.844 20 30 GHEDRO N#Cc1cc(-c2ccc(OC(F)(F)F)cc2O)ccc1OC1CC[NH2+]CC1 ZINC001244469022 1036516959 /nfs/dbraw/zinc/51/69/59/1036516959.db2.gz ZWWWAEBWWVGBQK-UHFFFAOYSA-N 1 0 378.350 3.960 20 30 GHEDRO N#Cc1cc(-c2cccc(OCC[NH+]3CCCC3)n2)ccc1OC1CCOCC1 ZINC001245303542 1036863612 /nfs/dbraw/zinc/86/36/12/1036863612.db2.gz DWXTXYIBEPPCJH-UHFFFAOYSA-N 1 0 393.487 3.653 20 30 GHEDRO N#Cc1cc(Cc2ccccc2)sc1NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245956705 1037079964 /nfs/dbraw/zinc/07/99/64/1037079964.db2.gz NCBXZJGIOIWGBB-LEWJYISDSA-N 1 0 377.513 3.553 20 30 GHEDRO CCCCCCCCOc1ccc(NC[C@@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001245968240 1037092096 /nfs/dbraw/zinc/09/20/96/1037092096.db2.gz TWWNZOQBTRZAGS-FQEVSTJZSA-N 1 0 378.557 3.703 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN[C@@H]1CCC[NH2+]C1 ZINC001245982588 1037107917 /nfs/dbraw/zinc/10/79/17/1037107917.db2.gz KYAZZFPKXDRFJY-YADHBBJMSA-N 1 0 386.621 3.643 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)N(C)C)C2)C1 ZINC001278442010 1037282394 /nfs/dbraw/zinc/28/23/94/1037282394.db2.gz MSLDFAWENWYTEP-HXUWFJFHSA-N 1 0 387.634 3.721 20 30 GHEDRO C[C@@H]1C[C@H](NCc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C[NH2+]1 ZINC001246296693 1037282506 /nfs/dbraw/zinc/28/25/06/1037282506.db2.gz STIKOTHAQWZRMO-UZLBHIALSA-N 1 0 385.471 3.648 20 30 GHEDRO N#C[C@@H]1C[C@H](N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCN1 ZINC001246833862 1037663485 /nfs/dbraw/zinc/66/34/85/1037663485.db2.gz IIFTWSLOEYGXAO-YTFSRNRJSA-N 1 0 394.950 3.691 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)CN1 ZINC001246888076 1037703644 /nfs/dbraw/zinc/70/36/44/1037703644.db2.gz RDNYACHDMKNMAM-TZYHBYERSA-N 1 0 391.515 3.805 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001246899220 1037712619 /nfs/dbraw/zinc/71/26/19/1037712619.db2.gz ORAAFHFPHLRZSD-FYYLOGMGSA-N 1 0 393.531 3.646 20 30 GHEDRO C[C@H](c1ccccc1)N(C1=CC(=O)CCC1)[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246988393 1037812347 /nfs/dbraw/zinc/81/23/47/1037812347.db2.gz JIURUNOQAZCBBE-BSIFCXSSSA-N 1 0 384.520 3.759 20 30 GHEDRO C=CCOc1ccc(-c2noc([C@@H](c3ccco3)N3CCC[C@H]([NH3+])C3)n2)c(F)c1 ZINC001247325817 1038120417 /nfs/dbraw/zinc/12/04/17/1038120417.db2.gz CJESBQVPVGQAEK-IFXJQAMLSA-N 1 0 398.438 3.546 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(OCc3ccccc3)no1)C2 ZINC001232447236 1038228027 /nfs/dbraw/zinc/22/80/27/1038228027.db2.gz PBVKQWAKQQDAEY-HSZRJFAPSA-N 1 0 395.503 3.787 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc(/C=C/C(=O)NCC[NH3+])n2)cc1 ZINC001247637975 1038286800 /nfs/dbraw/zinc/28/68/00/1038286800.db2.gz NHAYIWXJGABSHX-OUKQBFOZSA-N 1 0 386.496 3.564 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)c(CC)s1)CC2 ZINC001277681979 1038331389 /nfs/dbraw/zinc/33/13/89/1038331389.db2.gz XVCXXJCWTXCXBW-AWEZNQCLSA-N 1 0 397.382 3.977 20 30 GHEDRO C=CCCCNC(=S)N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001247727528 1038349704 /nfs/dbraw/zinc/34/97/04/1038349704.db2.gz PFSVQMOLLWYMSQ-FQEVSTJZSA-N 1 0 387.593 3.583 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001232606866 1038389593 /nfs/dbraw/zinc/38/95/93/1038389593.db2.gz AEUSWODNORYAGD-LEWJYISDSA-N 1 0 383.879 3.809 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(C[C@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)cc1Cl ZINC001247886135 1038455674 /nfs/dbraw/zinc/45/56/74/1038455674.db2.gz PKXHRAPGDUJXBQ-ZMZPIMSZSA-N 1 0 393.274 3.616 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3c1cccc3C(=O)OC)C2 ZINC001232709149 1038507719 /nfs/dbraw/zinc/50/77/19/1038507719.db2.gz CZUHUZWSGGESTG-NFBKMPQASA-N 1 0 398.503 3.528 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232819225 1038573226 /nfs/dbraw/zinc/57/32/26/1038573226.db2.gz VQGXYAWBEMSHIO-FQEVSTJZSA-N 1 0 388.899 3.827 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C#N)s3)CC2)c2ccccc21 ZINC001232843602 1038594933 /nfs/dbraw/zinc/59/49/33/1038594933.db2.gz RXMBVKQHAMDJTN-MRXNPFEDSA-N 1 0 379.529 3.777 20 30 GHEDRO Cc1cc(O)cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001232879557 1038655941 /nfs/dbraw/zinc/65/59/41/1038655941.db2.gz BEOFFTPXAMWZIT-XMMPIXPASA-N 1 0 391.515 3.691 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-c4cccc(F)c4)nc3)CC2)nc1 ZINC001232888323 1038673898 /nfs/dbraw/zinc/67/38/98/1038673898.db2.gz JZJUSIWDNXMRGL-UHFFFAOYSA-N 1 0 387.462 3.867 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001233079965 1038847227 /nfs/dbraw/zinc/84/72/27/1038847227.db2.gz RFIFTOJWBSLRIU-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001233081050 1038849303 /nfs/dbraw/zinc/84/93/03/1038849303.db2.gz MJIXCERERGCPLE-GMAHTHKFSA-N 1 0 395.478 3.851 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccc(N(C)C)c(C#N)c4F)C[C@H]3C2)cc1 ZINC001233099636 1038876391 /nfs/dbraw/zinc/87/63/91/1038876391.db2.gz XEPVRAKOYUDJNU-NHCUHLMSSA-N 1 0 392.522 3.636 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001252139285 1038888770 /nfs/dbraw/zinc/88/87/70/1038888770.db2.gz ITRFREWDOQYUBQ-KNKQGSTJSA-N 1 0 398.588 3.856 20 30 GHEDRO CCC(CC)[N@H+](CC)C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323359 1038942677 /nfs/dbraw/zinc/94/26/77/1038942677.db2.gz XMDSMNWNYQHECZ-GOSISDBHSA-N 1 0 385.430 3.777 20 30 GHEDRO CC(C)CC[C@@H](C)[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340544 1038946513 /nfs/dbraw/zinc/94/65/13/1038946513.db2.gz RJGCJOQPRUEYDR-ACJLOTCBSA-N 1 0 385.430 3.681 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)c3ccc(F)cc32)CC1 ZINC001252550783 1039029132 /nfs/dbraw/zinc/02/91/32/1039029132.db2.gz QJIFHLXILCXUGO-NRFANRHFSA-N 1 0 390.499 3.851 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC2(C[C@H](CC(=O)N(CC)CC)c3ccccc32)CC1 ZINC001252552165 1039029498 /nfs/dbraw/zinc/02/94/98/1039029498.db2.gz UOIARAZCIHCNPQ-CVDCTZTESA-N 1 0 384.564 3.703 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(F)(F)F ZINC001252580319 1039037276 /nfs/dbraw/zinc/03/72/76/1039037276.db2.gz BQNXVSNFFSBCAN-KRWDZBQOSA-N 1 0 390.402 3.959 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 ZINC001252593591 1039040242 /nfs/dbraw/zinc/04/02/42/1039040242.db2.gz KTHMVMUERJBAEV-HXUWFJFHSA-N 1 0 388.552 3.872 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252619320 1039051189 /nfs/dbraw/zinc/05/11/89/1039051189.db2.gz LEWDYWYJMGKVQK-IBGZPJMESA-N 1 0 392.515 3.969 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(C#N)cc2[O-])C2CC2)C1 ZINC001233387999 1039211561 /nfs/dbraw/zinc/21/15/61/1039211561.db2.gz HUHHYPBLYAVZAM-QGZVFWFLSA-N 1 0 385.508 3.875 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cn3ccc(Cl)cc3n1)C2 ZINC001233390248 1039219098 /nfs/dbraw/zinc/21/90/98/1039219098.db2.gz OUQJVTYIYVTEJP-AZUAARDMSA-N 1 0 375.900 3.561 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)CC)CC1 ZINC001252988793 1039315387 /nfs/dbraw/zinc/31/53/87/1039315387.db2.gz JROOXXNDUBCTLK-HXUWFJFHSA-N 1 0 390.634 3.529 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001252989906 1039315732 /nfs/dbraw/zinc/31/57/32/1039315732.db2.gz UECXNJDYKHGBHK-NHCUHLMSSA-N 1 0 375.557 3.777 20 30 GHEDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001233510377 1039400657 /nfs/dbraw/zinc/40/06/57/1039400657.db2.gz LMAXXXBFOKELBU-CJNGLKHVSA-N 1 0 376.382 3.971 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cn4c(cccc4Cl)n3)C2)C1 ZINC001233549500 1039431573 /nfs/dbraw/zinc/43/15/73/1039431573.db2.gz AYZUIKQAIOPMEO-FQEVSTJZSA-N 1 0 388.899 3.598 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001253238161 1039494525 /nfs/dbraw/zinc/49/45/25/1039494525.db2.gz AODMDNFAESIJNN-ISKFKSNPSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001253247029 1039501935 /nfs/dbraw/zinc/50/19/35/1039501935.db2.gz FLJZKFQALCTOKM-RAFMOHDBSA-N 1 0 396.572 3.630 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](C[C@@H](O)CCOCc3ccccc3)CC2)cc1 ZINC001253274545 1039520959 /nfs/dbraw/zinc/52/09/59/1039520959.db2.gz JHSUSEQWDUCVTQ-DEOSSOPVSA-N 1 0 378.516 3.781 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1c(F)cccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587881 1039710729 /nfs/dbraw/zinc/71/07/29/1039710729.db2.gz PVUBEKYHLCLPKI-INIZCTEOSA-N 1 0 396.478 3.713 20 30 GHEDRO C=C[C@@H](O)C[NH2+]C1(Cc2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610089 1039720184 /nfs/dbraw/zinc/72/01/84/1039720184.db2.gz QARMSLWHZILXNT-GOSISDBHSA-N 1 0 394.943 3.789 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC001253616018 1039727323 /nfs/dbraw/zinc/72/73/23/1039727323.db2.gz PUCPPXUMLLYZFX-QFIPXVFZSA-N 1 0 386.621 3.549 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC001253616599 1039728213 /nfs/dbraw/zinc/72/82/13/1039728213.db2.gz HDXPNVZPEOGTOB-FGZHOGPDSA-N 1 0 387.605 3.662 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC001233970559 1039734035 /nfs/dbraw/zinc/73/40/35/1039734035.db2.gz USRAQCIWVPJMEH-GFCCVEGCSA-N 1 0 383.350 3.529 20 30 GHEDRO CC(C)[C@H](O)CNC(=[NH2+])c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001253781771 1039810895 /nfs/dbraw/zinc/81/08/95/1039810895.db2.gz CLFOWNQYVPNIJO-CQSZACIVSA-N 1 0 388.514 3.904 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(Cl)nccc1N(C)C)[C@H]2CC ZINC001234114233 1039854209 /nfs/dbraw/zinc/85/42/09/1039854209.db2.gz QXDJJURAMAEJRT-RXVVDRJESA-N 1 0 390.959 3.723 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](C[C@H](O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001253927608 1039907176 /nfs/dbraw/zinc/90/71/76/1039907176.db2.gz OHTUZAMEMHKZMB-VWLOTQADSA-N 1 0 397.522 3.873 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001254348905 1040181590 /nfs/dbraw/zinc/18/15/90/1040181590.db2.gz DJXGPWGVXKRLEG-TVRKMHQQSA-N 1 0 397.416 3.673 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCCN(C(=O)C3CCC3)CC2)CC1 ZINC001254355372 1040188260 /nfs/dbraw/zinc/18/82/60/1040188260.db2.gz FIARDRDQLHXRMH-UHFFFAOYSA-N 1 0 383.511 3.864 20 30 GHEDRO COc1cc(N2CC[NH+](C3CCC(C#N)(c4ccc(F)cc4)CC3)CC2)ccn1 ZINC001254360342 1040192372 /nfs/dbraw/zinc/19/23/72/1040192372.db2.gz ZVRHTZVWHDJAJH-UHFFFAOYSA-N 1 0 394.494 3.755 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc4sccc4nc3Cl)C2)C1=O ZINC001277874489 1040198880 /nfs/dbraw/zinc/19/88/80/1040198880.db2.gz MULITDLIWDEUJO-LJQANCHMSA-N 1 0 375.925 3.950 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](C4CCC5(CC5)CC4)C3)C2)n1 ZINC001254442777 1040234426 /nfs/dbraw/zinc/23/44/26/1040234426.db2.gz OBCGSEGBJMWQEP-HSZRJFAPSA-N 1 0 380.536 3.595 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)C2 ZINC001254625520 1040399887 /nfs/dbraw/zinc/39/98/87/1040399887.db2.gz HSQFYYKFXKJKFR-XZOQPEGZSA-N 1 0 388.527 3.868 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254664575 1040426771 /nfs/dbraw/zinc/42/67/71/1040426771.db2.gz ITCWFHCEGRHWOE-LVCYWYKZSA-N 1 0 380.536 3.737 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]C1(c3ccc(C#N)cc3)CC1)CS2 ZINC001254687423 1040444192 /nfs/dbraw/zinc/44/41/92/1040444192.db2.gz JPUAYTOQQPWYAV-QGZVFWFLSA-N 1 0 385.533 3.632 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)nc3Cl)C2)C1=O ZINC001277926924 1040684085 /nfs/dbraw/zinc/68/40/85/1040684085.db2.gz FBXIRDJBQQBUQS-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)cn2)cc1 ZINC001235220760 1040701379 /nfs/dbraw/zinc/70/13/79/1040701379.db2.gz HBXSEHLEENXKOG-XZOQPEGZSA-N 1 0 382.467 3.817 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(O)cc(OCC)c1)CC2 ZINC001235385012 1040904421 /nfs/dbraw/zinc/90/44/21/1040904421.db2.gz HSIAMQIWEHDLEK-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc3ccccc3n1)C2 ZINC001255227404 1040916272 /nfs/dbraw/zinc/91/62/72/1040916272.db2.gz JAGLGSLRWYJACM-OSYLJGHBSA-N 1 0 380.492 3.871 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(F)c(OC)c1)[C@H]2CC ZINC001235436318 1040936857 /nfs/dbraw/zinc/93/68/57/1040936857.db2.gz ICADEFWYZHCQHD-RXVVDRJESA-N 1 0 378.463 3.895 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC[C@]2(CC(C(=O)Nc3ccccc3)=NO2)C1 ZINC001235517162 1040972481 /nfs/dbraw/zinc/97/24/81/1040972481.db2.gz JVZNOYPXGGOLLE-QHCPKHFHSA-N 1 0 388.471 3.502 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccccc2CC#N)CC1 ZINC001235517063 1040972773 /nfs/dbraw/zinc/97/27/73/1040972773.db2.gz JAXIAUVHNAYPMJ-UHFFFAOYSA-N 1 0 393.531 3.866 20 30 GHEDRO CN1CCC[C@H]([NH2+]Cc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C1 ZINC001255473005 1041074012 /nfs/dbraw/zinc/07/40/12/1041074012.db2.gz MTAVSOLELKXHAK-NRFANRHFSA-N 1 0 399.498 3.991 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@H](C)CSc1ccc(F)cc1)CC2 ZINC001255741927 1041261628 /nfs/dbraw/zinc/26/16/28/1041261628.db2.gz GUOQXJFFVUPPKX-OAHLLOKOSA-N 1 0 375.513 3.801 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([NH2+]C23CCC(C#N)(CC2)CC3)CC1 ZINC001255926555 1041415540 /nfs/dbraw/zinc/41/55/40/1041415540.db2.gz JEECWAWXVOHHCK-UHFFFAOYSA-N 1 0 383.536 3.874 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C(CCC(=O)OCC)CCC(=O)OCC ZINC001255997861 1041468817 /nfs/dbraw/zinc/46/88/17/1041468817.db2.gz RAWOQAUNQRUIGJ-QGZVFWFLSA-N 1 0 391.508 3.957 20 30 GHEDRO N#CC1(c2ccccc2-c2ccc(F)c(C(=O)N3CCCC3)c2)CC[NH2+]CC1 ZINC001236173405 1041592317 /nfs/dbraw/zinc/59/23/17/1041592317.db2.gz PRYIFRVEYLDEEB-UHFFFAOYSA-N 1 0 377.463 3.873 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(Br)c3C)C2)C1=O ZINC001236612761 1041781476 /nfs/dbraw/zinc/78/14/76/1041781476.db2.gz ZOPJMFGGMGQHSY-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001237138742 1042060259 /nfs/dbraw/zinc/06/02/59/1042060259.db2.gz YGRPRBOWQHNBPU-OLZOCXBDSA-N 1 0 375.284 3.638 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccc(C(F)F)c(OC)c1)CCC2 ZINC001237268844 1042115124 /nfs/dbraw/zinc/11/51/24/1042115124.db2.gz DLGHVYHVIPGXTN-UHFFFAOYSA-N 1 0 377.435 3.938 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)ccn1 ZINC001237466242 1042219833 /nfs/dbraw/zinc/21/98/33/1042219833.db2.gz XBWUOACGBNVCIK-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO CCOC(=O)[C@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C[C@H]2CCCC[C@@H]12 ZINC001237468021 1042220223 /nfs/dbraw/zinc/22/02/23/1042220223.db2.gz JVWWSYMXQTZVGH-QFUCXCTJSA-N 1 0 379.504 3.851 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)CC2 ZINC001237467372 1042220309 /nfs/dbraw/zinc/22/03/09/1042220309.db2.gz QLLRLGQOCJZCKC-QHCPKHFHSA-N 1 0 376.504 3.583 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)c3ccccc3[nH]c1=O)C2 ZINC001237500965 1042238122 /nfs/dbraw/zinc/23/81/22/1042238122.db2.gz NDELWWIVYXMFTD-QVKFZJNVSA-N 1 0 388.895 3.920 20 30 GHEDRO C[N@@H+](Cc1cc(C#N)c(F)cc1F)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001237528945 1042252579 /nfs/dbraw/zinc/25/25/79/1042252579.db2.gz FDDUWRLRBBTOJW-CQSZACIVSA-N 1 0 379.451 3.915 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1 ZINC001237756616 1042355443 /nfs/dbraw/zinc/35/54/43/1042355443.db2.gz LNAQZYAXOCWXTG-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccc(-c3ccccn3)n1)C2 ZINC001237835344 1042393337 /nfs/dbraw/zinc/39/33/37/1042393337.db2.gz XFULHLUCUUQMJT-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO CCOC(=O)COc1cccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c1 ZINC001237912582 1042419563 /nfs/dbraw/zinc/41/95/63/1042419563.db2.gz XHWGBQNPYWYCSA-UHFFFAOYSA-N 1 0 392.499 3.955 20 30 GHEDRO CCOC(=O)COc1cccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1 ZINC001237918023 1042421908 /nfs/dbraw/zinc/42/19/08/1042421908.db2.gz FRSBTYIHIHLNRB-JOCHJYFZSA-N 1 0 394.471 3.544 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cccc(N3CCCCC3)n2)C1 ZINC001238004582 1042455062 /nfs/dbraw/zinc/45/50/62/1042455062.db2.gz RZWGAMCFGAIWEA-OAQYLSRUSA-N 1 0 376.504 3.987 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(F)cc(C)c3O)CC2)C1 ZINC001238056212 1042477572 /nfs/dbraw/zinc/47/75/72/1042477572.db2.gz FOOSSHLGWNHZLB-UHFFFAOYSA-N 1 0 376.472 3.840 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(Cl)c(C#N)c3)C[C@H]12 ZINC001238191360 1042514683 /nfs/dbraw/zinc/51/46/83/1042514683.db2.gz RSKQGGZTGXVLMF-XZOQPEGZSA-N 1 0 393.918 3.976 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001238223372 1042524026 /nfs/dbraw/zinc/52/40/26/1042524026.db2.gz ZUDZGXYWAXAQMG-LJQANCHMSA-N 1 0 388.618 3.595 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)ccc1C#N ZINC001238409315 1042586947 /nfs/dbraw/zinc/58/69/47/1042586947.db2.gz YHSQXQFDGXKKHG-NRFANRHFSA-N 1 0 381.501 3.647 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)ccc1C#N ZINC001238774507 1042722640 /nfs/dbraw/zinc/72/26/40/1042722640.db2.gz JKAXSKJJJMVUJI-WXFUMESZSA-N 1 0 398.547 3.686 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)ccc1C#N ZINC001238774878 1042722739 /nfs/dbraw/zinc/72/27/39/1042722739.db2.gz MTFZAYQJWRJQMZ-DEOSSOPVSA-N 1 0 388.515 3.530 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CC[C@@H](C(=O)N4CCCC4)OC3)CC2)ccc1C#N ZINC001238774956 1042722876 /nfs/dbraw/zinc/72/28/76/1042722876.db2.gz OAORCTYPGGHOTR-QFIPXVFZSA-N 1 0 395.547 3.504 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001239031477 1042760377 /nfs/dbraw/zinc/76/03/77/1042760377.db2.gz JDVCOOPXHBEPTE-QGZVFWFLSA-N 1 0 380.545 3.778 20 30 GHEDRO CCCCCCCCCCCCNC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001239219676 1042788755 /nfs/dbraw/zinc/78/87/55/1042788755.db2.gz IXYMVNUECNVPMT-UNMCSNQZSA-N 1 0 397.604 3.602 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC[NH2+]Cc2ccccc2)cc1C(F)(F)F ZINC001239368899 1042814741 /nfs/dbraw/zinc/81/47/41/1042814741.db2.gz IEGRECCDYPAAPU-UHFFFAOYSA-N 1 0 378.423 3.653 20 30 GHEDRO N#Cc1cccc(NC(=S)NCC2(c3cccc(Cl)c3)CC[NH2+]CC2)c1 ZINC001239392673 1042821298 /nfs/dbraw/zinc/82/12/98/1042821298.db2.gz SXGKAPWDEUHTAL-UHFFFAOYSA-N 1 0 384.936 3.819 20 30 GHEDRO C[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCCC1 ZINC001291131405 1043098548 /nfs/dbraw/zinc/09/85/48/1043098548.db2.gz BKRWQKZKYKDACG-SFHVURJKSA-N 1 0 378.524 3.681 20 30 GHEDRO CC1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCC2)CC1 ZINC001291183667 1043144580 /nfs/dbraw/zinc/14/45/80/1043144580.db2.gz APIXSQUKQGKAAO-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001291218203 1043158362 /nfs/dbraw/zinc/15/83/62/1043158362.db2.gz OZEKREMLPTUECO-OALUTQOASA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291481001 1043295638 /nfs/dbraw/zinc/29/56/38/1043295638.db2.gz NLKLQKHEIWXWEL-RDJZCZTQSA-N 1 0 386.569 3.896 20 30 GHEDRO C[C@@H]1C[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557452 1043527123 /nfs/dbraw/zinc/52/71/23/1043527123.db2.gz JNABBOMEBZLQCV-DENIHFKCSA-N 1 0 392.522 3.872 20 30 GHEDRO C[C@H]1CC[C@H](c2nc(CC(=O)N(CCC#N)CCC[NH+](C)C)cs2)CC1 ZINC001292113525 1043597945 /nfs/dbraw/zinc/59/79/45/1043597945.db2.gz AKTFPCNGWJEYMT-QAQDUYKDSA-N 1 0 376.570 3.673 20 30 GHEDRO C[C@@H](Cc1ccncc1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001256741892 1043644375 /nfs/dbraw/zinc/64/43/75/1043644375.db2.gz MDSPFMJBMAWWOC-GBXCKJPGSA-N 1 0 390.531 3.503 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H](C)Cc3ccccc3Br)C2)C1=O ZINC001256840777 1043691163 /nfs/dbraw/zinc/69/11/63/1043691163.db2.gz OCPRKGZCVWNLER-JXFKEZNVSA-N 1 0 391.353 3.881 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](C3CCC(C#N)CC3)CC2)c2ccc(C)cc21 ZINC001256968718 1043777140 /nfs/dbraw/zinc/77/71/40/1043777140.db2.gz ZESDRKFORYCSMR-NGICGMGXSA-N 1 0 380.536 3.785 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]Cc3cc(OC4CCOCC4)ncn3)CC2)cc1 ZINC001257014372 1043799254 /nfs/dbraw/zinc/79/92/54/1043799254.db2.gz QQDNIMQSCIFVOH-UHFFFAOYSA-N 1 0 392.503 3.722 20 30 GHEDRO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257022122 1043804838 /nfs/dbraw/zinc/80/48/38/1043804838.db2.gz GNLNYVNAEIRVBR-HRTMPFAESA-N 1 0 383.536 3.544 20 30 GHEDRO Cc1cc(N(C2CC[NH2+]CC2)C2CCC(c3ccc(C#N)cc3)CC2)ncn1 ZINC001257022557 1043807476 /nfs/dbraw/zinc/80/74/76/1043807476.db2.gz NCJPUJLHFCVTDH-UHFFFAOYSA-N 1 0 375.520 3.942 20 30 GHEDRO C[C@H]1CC([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)C[C@H](C)O1 ZINC001257083340 1043835449 /nfs/dbraw/zinc/83/54/49/1043835449.db2.gz GZWRLMMUADJDJO-OALUTQOASA-N 1 0 388.511 3.869 20 30 GHEDRO O=C(C#Cc1ccccc1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001292727054 1043850627 /nfs/dbraw/zinc/85/06/27/1043850627.db2.gz ZMYLJFLISAQLEX-UHFFFAOYSA-N 1 0 389.499 3.881 20 30 GHEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC001257241249 1043943519 /nfs/dbraw/zinc/94/35/19/1043943519.db2.gz QBORSKRVRYVVBO-SFHVURJKSA-N 1 0 397.544 3.545 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CCC([NH2+]CCOc1cccc(C#N)c1)CC2 ZINC001257753543 1044143010 /nfs/dbraw/zinc/14/30/10/1044143010.db2.gz AIGHJCIATMRCGZ-UHFFFAOYSA-N 1 0 385.508 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC2(CCC(NC(=[NH2+])c3ccc(F)cn3)CC2)C1 ZINC001257765884 1044155802 /nfs/dbraw/zinc/15/58/02/1044155802.db2.gz UPBUNIUXQJJDPS-UHFFFAOYSA-N 1 0 390.503 3.886 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3CC4(CN(C(=O)OC(C)(C)C)C4)CO3)C[C@H](C1)C2 ZINC001257887439 1044245022 /nfs/dbraw/zinc/24/50/22/1044245022.db2.gz YDOZJITTXZNHCO-SWDXFRIISA-N 1 0 376.541 3.737 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CN(Cc5csc(C)n5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257893208 1044248724 /nfs/dbraw/zinc/24/87/24/1044248724.db2.gz NFSMDLDPIQKAFP-GIOHLNRZSA-N 1 0 387.593 3.719 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)C[C@H](C1)C2 ZINC001257893624 1044249155 /nfs/dbraw/zinc/24/91/55/1044249155.db2.gz VDVDWYWSZYBZNF-AIZNXBIQSA-N 1 0 393.575 3.588 20 30 GHEDRO C=CCN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001257985011 1044313871 /nfs/dbraw/zinc/31/38/71/1044313871.db2.gz IDGGHJGSGDXRDY-FCHUYYIVSA-N 1 0 399.579 3.801 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cccnc2)C1 ZINC001258047135 1044369729 /nfs/dbraw/zinc/36/97/29/1044369729.db2.gz HQOBSDNCRNMSIG-RYFAJOAYSA-N 1 0 387.568 3.897 20 30 GHEDRO CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001293905109 1044371810 /nfs/dbraw/zinc/37/18/10/1044371810.db2.gz MZJSWNSQSLGJLV-IRXDYDNUSA-N 1 0 380.540 3.924 20 30 GHEDRO C[C@H](Cc1ccco1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001258191294 1044464301 /nfs/dbraw/zinc/46/43/01/1044464301.db2.gz DZTSNGYGKZKPIP-AUSIDOKSSA-N 1 0 379.504 3.701 20 30 GHEDRO CCCCCCCCC[C@H](C)[NH2+]Cc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001258231487 1044478972 /nfs/dbraw/zinc/47/89/72/1044478972.db2.gz PQQKWSBJWAFDTG-IBGZPJMESA-N 1 0 395.613 3.935 20 30 GHEDRO C[C@@H](CC(C)(C)SCc1ccco1)NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001258300864 1044497749 /nfs/dbraw/zinc/49/77/49/1044497749.db2.gz XUFRFXMPENJUJU-AWEZNQCLSA-N 1 0 394.562 3.879 20 30 GHEDRO CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001294237449 1044542675 /nfs/dbraw/zinc/54/26/75/1044542675.db2.gz YDYAIDGTIJKYGK-QGZVFWFLSA-N 1 0 380.540 3.926 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)CC2 ZINC001258524823 1044602799 /nfs/dbraw/zinc/60/27/99/1044602799.db2.gz WVOVZUOODURWAA-JOCHJYFZSA-N 1 0 390.568 3.731 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCCn2nnc(Cn3cnnc3)c2C1 ZINC001258714037 1044730736 /nfs/dbraw/zinc/73/07/36/1044730736.db2.gz GNPAHBLDXDYRFP-IBGZPJMESA-N 1 0 387.576 3.899 20 30 GHEDRO COc1cc(C[C@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc(OC)c1OC ZINC001258858091 1044798130 /nfs/dbraw/zinc/79/81/30/1044798130.db2.gz DQPHYFVUXYHPLG-AWEZNQCLSA-N 1 0 394.471 3.908 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001295366512 1044990015 /nfs/dbraw/zinc/99/00/15/1044990015.db2.gz ULYFKZLWRFASHT-KURKYZTESA-N 1 0 380.540 3.782 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1C(C)(C)C ZINC001295391923 1044996878 /nfs/dbraw/zinc/99/68/78/1044996878.db2.gz ZQMTZQBDFTZPFI-QGZVFWFLSA-N 1 0 382.556 3.814 20 30 GHEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)CC#N)c1ccco1 ZINC001295400237 1044999908 /nfs/dbraw/zinc/99/99/08/1044999908.db2.gz KQLHNUQGPLHKFU-SJLPKXTDSA-N 1 0 395.511 3.688 20 30 GHEDRO CC[NH+](CC)[C@@H](Cn1c(N(C)[C@H](C)CC#N)nnc1C(C)(C)C)c1ccco1 ZINC001295404701 1045001115 /nfs/dbraw/zinc/00/11/15/1045001115.db2.gz MFTMTECQSQJVKX-SJORKVTESA-N 1 0 386.544 3.990 20 30 GHEDRO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001295431698 1045008460 /nfs/dbraw/zinc/00/84/60/1045008460.db2.gz KLQMDMQMQUNZKF-UHFFFAOYSA-N 1 0 380.540 3.927 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCCC2)C[C@@H]1C ZINC001296150754 1045265073 /nfs/dbraw/zinc/26/50/73/1045265073.db2.gz PNTOCGRDOKHLAC-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC001296257265 1045290163 /nfs/dbraw/zinc/29/01/63/1045290163.db2.gz JTSGMDHMQJTTAL-IBGZPJMESA-N 1 0 391.515 3.527 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC001297373024 1045505009 /nfs/dbraw/zinc/50/50/09/1045505009.db2.gz KWOILIHSWWWZAU-UHFFFAOYSA-N 1 0 383.458 3.886 20 30 GHEDRO CC(C)(C)Oc1ccc(NC(=O)C2CCC([NH+]3CCOCC3)CC2)cc1C#N ZINC001298261599 1045756935 /nfs/dbraw/zinc/75/69/35/1045756935.db2.gz SYMRJPKDRUOFOQ-UHFFFAOYSA-N 1 0 385.508 3.565 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC001298675896 1045915113 /nfs/dbraw/zinc/91/51/13/1045915113.db2.gz DVSPABYIBHXNQB-UHFFFAOYSA-N 1 0 387.430 3.717 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001301087778 1046332899 /nfs/dbraw/zinc/33/28/99/1046332899.db2.gz UMJJDTPWGLRIHN-SFHVURJKSA-N 1 0 395.551 3.517 20 30 GHEDRO C=C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301091490 1046336338 /nfs/dbraw/zinc/33/63/38/1046336338.db2.gz GDXORHIJPJCDPA-FQEVSTJZSA-N 1 0 395.551 3.540 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001301119296 1046354850 /nfs/dbraw/zinc/35/48/50/1046354850.db2.gz CWIDIDQTZCODEL-HXUWFJFHSA-N 1 0 379.552 3.998 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301129603 1046363413 /nfs/dbraw/zinc/36/34/13/1046363413.db2.gz XMMBQXYSUWIFQK-QGZVFWFLSA-N 1 0 385.581 3.817 20 30 GHEDRO C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301158465 1046378057 /nfs/dbraw/zinc/37/80/57/1046378057.db2.gz GOERKYBTWFEPEP-UHFFFAOYSA-N 1 0 377.577 3.728 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001301282753 1046452569 /nfs/dbraw/zinc/45/25/69/1046452569.db2.gz JAUMQMLZGJMPMG-GOSISDBHSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001301282538 1046452957 /nfs/dbraw/zinc/45/29/57/1046452957.db2.gz FJRQRJUYOCOZQB-HXUWFJFHSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001262965511 1046455511 /nfs/dbraw/zinc/45/55/11/1046455511.db2.gz PWUPYULTMSJVKW-INIZCTEOSA-N 1 0 396.495 3.547 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001301308795 1046470422 /nfs/dbraw/zinc/47/04/22/1046470422.db2.gz KPACDIQPPABALW-VQTJNVASSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301308794 1046470882 /nfs/dbraw/zinc/47/08/82/1046470882.db2.gz KPACDIQPPABALW-UXHICEINSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001301311108 1046473309 /nfs/dbraw/zinc/47/33/09/1046473309.db2.gz YVCBBCWYGWPPBP-IPMKNSEASA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001301329846 1046492747 /nfs/dbraw/zinc/49/27/47/1046492747.db2.gz OYZZQJZTOKGQNE-MOPGFXCFSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCC[C@H]1C ZINC001301348792 1046505710 /nfs/dbraw/zinc/50/57/10/1046505710.db2.gz BVGVGSSOOTVJNB-TZIWHRDSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CCS[C@H](C(C)C)C1)C(C)C ZINC001301366427 1046511044 /nfs/dbraw/zinc/51/10/44/1046511044.db2.gz CAIXXTIJDPXJJA-UXHICEINSA-N 1 0 391.629 3.863 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC=CCC1)C(C)C ZINC001301366759 1046512541 /nfs/dbraw/zinc/51/25/41/1046512541.db2.gz IHWISJNCQZIUGO-OAQYLSRUSA-N 1 0 392.551 3.805 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001263026457 1046514589 /nfs/dbraw/zinc/51/45/89/1046514589.db2.gz PSGYEWTWZRGMDO-HSZRJFAPSA-N 1 0 392.551 3.808 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001301379570 1046515048 /nfs/dbraw/zinc/51/50/48/1046515048.db2.gz OYQKRVAWAOBDEN-GOSISDBHSA-N 1 0 393.535 3.616 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001301399260 1046526000 /nfs/dbraw/zinc/52/60/00/1046526000.db2.gz JMZHRWJAQXAEDL-FQEVSTJZSA-N 1 0 381.568 3.942 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001301555331 1046596157 /nfs/dbraw/zinc/59/61/57/1046596157.db2.gz VJBPGAIESJZNMK-PMACEKPBSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCSCCn1c(C2CC2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001301610506 1046622443 /nfs/dbraw/zinc/62/24/43/1046622443.db2.gz ZHJBZDIDQADHKF-FQEVSTJZSA-N 1 0 397.592 3.785 20 30 GHEDRO COc1cc(C(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC001302115704 1046823305 /nfs/dbraw/zinc/82/33/05/1046823305.db2.gz MCYVXARCCPTJIN-QGZVFWFLSA-N 1 0 391.393 3.618 20 30 GHEDRO CC(C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001302563325 1046978892 /nfs/dbraw/zinc/97/88/92/1046978892.db2.gz RZROOOKDYZJUGA-TZIWHRDSSA-N 1 0 394.567 3.704 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)O[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001263612053 1046997172 /nfs/dbraw/zinc/99/71/72/1046997172.db2.gz FCEMZGFGJHXHJX-IBGZPJMESA-N 1 0 394.471 3.830 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001302652887 1047027791 /nfs/dbraw/zinc/02/77/91/1047027791.db2.gz QFFHVTGPOWZVRN-JOCHJYFZSA-N 1 0 398.530 3.803 20 30 GHEDRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001302820617 1047124085 /nfs/dbraw/zinc/12/40/85/1047124085.db2.gz RGRGSQNABUFFAV-PGRDOPGGSA-N 1 0 388.604 3.973 20 30 GHEDRO C=C[C@@H](CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001303094840 1047277932 /nfs/dbraw/zinc/27/79/32/1047277932.db2.gz KLBGIVGPOMRDGH-QFIPXVFZSA-N 1 0 392.543 3.880 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 ZINC001303271797 1047334935 /nfs/dbraw/zinc/33/49/35/1047334935.db2.gz WDHSJYAZJQXZTG-UHFFFAOYSA-N 1 0 386.931 3.679 20 30 GHEDRO C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001303708457 1047490248 /nfs/dbraw/zinc/49/02/48/1047490248.db2.gz OYRKPUWXITWQCX-MRXNPFEDSA-N 1 0 391.523 3.507 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC001303756878 1047505941 /nfs/dbraw/zinc/50/59/41/1047505941.db2.gz SUZKWAFAFHOOKS-SFHVURJKSA-N 1 0 393.572 3.713 20 30 GHEDRO COc1cccc(C[C@H](C)CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC001264988290 1047534746 /nfs/dbraw/zinc/53/47/46/1047534746.db2.gz HIAIYSKVXFTENW-IBGZPJMESA-N 1 0 393.531 3.726 20 30 GHEDRO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001304920857 1047808221 /nfs/dbraw/zinc/80/82/21/1047808221.db2.gz OTBLJWQYBJPLIU-QZTJIDSGSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001305014524 1047837519 /nfs/dbraw/zinc/83/75/19/1047837519.db2.gz GXAVHSCBAYVFRV-XMSQKQJNSA-N 1 0 396.514 3.652 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024978 1047840536 /nfs/dbraw/zinc/84/05/36/1047840536.db2.gz KAOCYKWBHXLIAC-QYZOEREBSA-N 1 0 386.588 3.870 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001305074889 1047876172 /nfs/dbraw/zinc/87/61/72/1047876172.db2.gz ZFFYXCSTYVZYPL-RTBURBONSA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)CC1(C)C ZINC001305080017 1047882729 /nfs/dbraw/zinc/88/27/29/1047882729.db2.gz WVVJJLCKTPYIFB-SFHVURJKSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCCCNC(=S)N1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001279936410 1047994581 /nfs/dbraw/zinc/99/45/81/1047994581.db2.gz NLESELRTBITAJQ-KRWDZBQOSA-N 1 0 377.520 3.958 20 30 GHEDRO CCCCCCCNC(=S)N1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001279956883 1048010865 /nfs/dbraw/zinc/01/08/65/1048010865.db2.gz BLVQUONFFDMXOK-NRFANRHFSA-N 1 0 381.630 3.941 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305419454 1048040014 /nfs/dbraw/zinc/04/00/14/1048040014.db2.gz OJGQOTIARRFNIM-FXAWDEMLSA-N 1 0 380.540 3.834 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305449389 1048061901 /nfs/dbraw/zinc/06/19/01/1048061901.db2.gz FWQIUXUEYRXNPF-XGHQBKJUSA-N 1 0 390.551 3.744 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCCCC[NH+]1CCCC1 ZINC001286278842 1048250069 /nfs/dbraw/zinc/25/00/69/1048250069.db2.gz HEOMKIJSTHCKGT-LJQANCHMSA-N 1 0 395.551 3.678 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCC[NH+]1CCC(C)CC1 ZINC001286284553 1048254829 /nfs/dbraw/zinc/25/48/29/1048254829.db2.gz DELVQQKEKVZIDT-IBGZPJMESA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)C[NH+](C)C ZINC001286301517 1048263787 /nfs/dbraw/zinc/26/37/87/1048263787.db2.gz MHDDDJIPWJSONL-LJQANCHMSA-N 1 0 397.567 3.520 20 30 GHEDRO C#CCCCCn1c(Cc2ccsc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286333338 1048274801 /nfs/dbraw/zinc/27/48/01/1048274801.db2.gz DNUFOYRCCDFEKV-UHFFFAOYSA-N 1 0 385.581 3.512 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001286370599 1048294852 /nfs/dbraw/zinc/29/48/52/1048294852.db2.gz WTPFVSNEFWJIQT-IBGZPJMESA-N 1 0 394.548 3.554 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001286371234 1048295035 /nfs/dbraw/zinc/29/50/35/1048295035.db2.gz IRLXHTNHUHOBBL-IBGZPJMESA-N 1 0 391.544 3.913 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccsc2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286378070 1048299034 /nfs/dbraw/zinc/29/90/34/1048299034.db2.gz GKKISFWRCKRPAN-KDURUIRLSA-N 1 0 399.608 3.758 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccsc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001286378134 1048299507 /nfs/dbraw/zinc/29/95/07/1048299507.db2.gz IEFUUYKSRADAGE-UHFFFAOYSA-N 1 0 399.608 3.758 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)C)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286419284 1048313107 /nfs/dbraw/zinc/31/31/07/1048313107.db2.gz QSZGWTNCZMMBSI-JOCHJYFZSA-N 1 0 391.563 3.948 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286428172 1048316649 /nfs/dbraw/zinc/31/66/49/1048316649.db2.gz PZZFMSVVPKNBRR-QFIPXVFZSA-N 1 0 395.595 3.737 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001286435761 1048319330 /nfs/dbraw/zinc/31/93/30/1048319330.db2.gz IKTSYGZGINFZOR-UHFFFAOYSA-N 1 0 379.552 3.679 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([NH+](C)C)CCC1 ZINC001286451579 1048330367 /nfs/dbraw/zinc/33/03/67/1048330367.db2.gz LLJFFEZRJNJXMF-KRWDZBQOSA-N 1 0 399.514 3.501 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001286568637 1048367822 /nfs/dbraw/zinc/36/78/22/1048367822.db2.gz VXOJODNNPQCEEJ-OALUTQOASA-N 1 0 377.577 3.695 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)[NH+](C)C ZINC001286569291 1048368856 /nfs/dbraw/zinc/36/88/56/1048368856.db2.gz LLZLECFJARIQOW-HNNXBMFYSA-N 1 0 391.947 3.960 20 30 GHEDRO C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001286631827 1048399759 /nfs/dbraw/zinc/39/97/59/1048399759.db2.gz YMKBJNLJRQYQEV-UHFFFAOYSA-N 1 0 399.970 3.880 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001286644212 1048409533 /nfs/dbraw/zinc/40/95/33/1048409533.db2.gz NPXUZQXCJZMBRY-SFHVURJKSA-N 1 0 382.537 3.794 20 30 GHEDRO C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286664799 1048430339 /nfs/dbraw/zinc/43/03/39/1048430339.db2.gz HJESYZKNRCFTKG-IBGZPJMESA-N 1 0 397.567 3.826 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286666499 1048431760 /nfs/dbraw/zinc/43/17/60/1048431760.db2.gz WDXOJVDXHSBWQM-VQTJNVASSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286684662 1048446298 /nfs/dbraw/zinc/44/62/98/1048446298.db2.gz LMTFWHYGIGCOFM-UHFFFAOYSA-N 1 0 399.587 3.593 20 30 GHEDRO C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001286703873 1048462569 /nfs/dbraw/zinc/46/25/69/1048462569.db2.gz IJZUIFRLGOEBFI-FQEVSTJZSA-N 1 0 397.567 3.971 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+](CC)CCC ZINC001286720588 1048477199 /nfs/dbraw/zinc/47/71/99/1048477199.db2.gz JGSHJQXWRIUYPA-UHFFFAOYSA-N 1 0 378.524 3.847 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001286728293 1048484599 /nfs/dbraw/zinc/48/45/99/1048484599.db2.gz UGRFTBYZOCFTQE-FQEVSTJZSA-N 1 0 382.556 3.541 20 30 GHEDRO C=CCN(c1nnc(C2CCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001286737292 1048495857 /nfs/dbraw/zinc/49/58/57/1048495857.db2.gz MILMLGPDHQPAFZ-CALCHBBNSA-N 1 0 387.572 3.588 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[N@H+]1CC ZINC001286743217 1048500214 /nfs/dbraw/zinc/50/02/14/1048500214.db2.gz BXYJEVJCUIXCAS-FQEVSTJZSA-N 1 0 390.535 3.950 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001286755281 1048508744 /nfs/dbraw/zinc/50/87/44/1048508744.db2.gz SHFPAWMGDSWUKT-IBGZPJMESA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001286799068 1048526952 /nfs/dbraw/zinc/52/69/52/1048526952.db2.gz PHYWHXMUQTVYTG-HXUWFJFHSA-N 1 0 395.551 3.518 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286966073 1048557663 /nfs/dbraw/zinc/55/76/63/1048557663.db2.gz PIWLQKAXHCNRQB-PXNSSMCTSA-N 1 0 384.572 3.939 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286968209 1048559847 /nfs/dbraw/zinc/55/98/47/1048559847.db2.gz PGCZCCLVQQULQO-GUDVDZBRSA-N 1 0 388.604 3.831 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)C[C@@H](C)C#N ZINC001306722482 1048850245 /nfs/dbraw/zinc/85/02/45/1048850245.db2.gz HXGSWHNUPZLUFH-OALUTQOASA-N 1 0 397.571 3.534 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001288507507 1049116948 /nfs/dbraw/zinc/11/69/48/1049116948.db2.gz NLKGIDDQFZJQQL-CRAIPNDOSA-N 1 0 386.519 3.756 20 30 GHEDRO C[NH+]1CCC(n2cc(Nc3nc4c(c(C#N)c3C#N)CCCCCC4)cn2)CC1 ZINC001307185112 1049123320 /nfs/dbraw/zinc/12/33/20/1049123320.db2.gz IPEOXRDDRQCJCQ-UHFFFAOYSA-N 1 0 389.507 3.691 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001307195334 1049131556 /nfs/dbraw/zinc/13/15/56/1049131556.db2.gz ICSMGCURLBWBHT-HNNXBMFYSA-N 1 0 382.389 3.545 20 30 GHEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001307433949 1049271818 /nfs/dbraw/zinc/27/18/18/1049271818.db2.gz OLVOMRSSLYIYNS-JTQLQIEISA-N 1 0 376.247 3.806 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509904 1049350325 /nfs/dbraw/zinc/35/03/25/1049350325.db2.gz MUQFSOTYPZIYQB-HYBUGGRVSA-N 1 0 389.543 3.981 20 30 GHEDRO N#Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC001307529827 1049375796 /nfs/dbraw/zinc/37/57/96/1049375796.db2.gz LZPSKYRHLAZHHH-RTWAWAEBSA-N 1 0 378.497 3.889 20 30 GHEDRO C=CCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001307586347 1049425627 /nfs/dbraw/zinc/42/56/27/1049425627.db2.gz VNQZPWZNOGIWEO-OALUTQOASA-N 1 0 393.572 3.570 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC001307641915 1049469897 /nfs/dbraw/zinc/46/98/97/1049469897.db2.gz ZSFPOVVMBQUINR-FQEVSTJZSA-N 1 0 378.859 3.680 20 30 GHEDRO Cc1ccc([C@H](Cn2c(C3CCC3)nnc2N2CCC(C#N)CC2)[NH+](C)C)cc1 ZINC001289482408 1049508858 /nfs/dbraw/zinc/50/88/58/1049508858.db2.gz MCTUMWIZBGSNTL-NRFANRHFSA-N 1 0 392.551 3.897 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001289531559 1049526242 /nfs/dbraw/zinc/52/62/42/1049526242.db2.gz NCWHVPBODDQIDD-YVHKJVDXSA-N 1 0 398.555 3.953 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001289531334 1049526412 /nfs/dbraw/zinc/52/64/12/1049526412.db2.gz KNWDWZQCCPHRQJ-FGTMMUONSA-N 1 0 398.555 3.810 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC001307713379 1049527161 /nfs/dbraw/zinc/52/71/61/1049527161.db2.gz OXWSUUZRUSNTBM-GOSISDBHSA-N 1 0 397.544 3.908 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[C@H](C)[C@H]1OC ZINC001307746943 1049559423 /nfs/dbraw/zinc/55/94/23/1049559423.db2.gz VXZPEYCUGNUHQR-ALTYWWEISA-N 1 0 377.573 3.735 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Cc4cc(F)ccc4F)CC3)C2=O)cc1 ZINC001307836276 1049623577 /nfs/dbraw/zinc/62/35/77/1049623577.db2.gz JCIQSPRNTWKLBD-QFIPXVFZSA-N 1 0 395.453 3.896 20 30 GHEDRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC001307973013 1049731752 /nfs/dbraw/zinc/73/17/52/1049731752.db2.gz VUXHRYIDJNHBRT-UPVQGACJSA-N 1 0 378.516 3.898 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001307997272 1049747233 /nfs/dbraw/zinc/74/72/33/1049747233.db2.gz OTXYAPDUXBFPKP-FQEVSTJZSA-N 1 0 399.535 3.766 20 30 GHEDRO CC(C)(C)OCCC[NH+]1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC001308032748 1049783372 /nfs/dbraw/zinc/78/33/72/1049783372.db2.gz HKKNFPINXLYHRH-UHFFFAOYSA-N 1 0 379.932 3.565 20 30 GHEDRO Fc1ccc(C#CC[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 ZINC001308063107 1049810501 /nfs/dbraw/zinc/81/05/01/1049810501.db2.gz CCXGQFNOBQDWMO-UHFFFAOYSA-N 1 0 394.425 3.716 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)CCC1 ZINC001308100620 1049845749 /nfs/dbraw/zinc/84/57/49/1049845749.db2.gz HNKKKMSGHKWENL-UHFFFAOYSA-N 1 0 375.472 3.721 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)c1cccc(OC)c1 ZINC001290519637 1049867614 /nfs/dbraw/zinc/86/76/14/1049867614.db2.gz FITUMKGLOBBJAG-HXUWFJFHSA-N 1 0 387.430 3.658 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001308145972 1049883135 /nfs/dbraw/zinc/88/31/35/1049883135.db2.gz SAHSMKIOUSKNRT-KBPBESRZSA-N 1 0 385.899 3.886 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC001308383566 1049963827 /nfs/dbraw/zinc/96/38/27/1049963827.db2.gz LZHSAYHTARWCCE-LJQANCHMSA-N 1 0 388.305 3.901 20 30 GHEDRO CN1c2ccccc2C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1=O ZINC001308460739 1049981696 /nfs/dbraw/zinc/98/16/96/1049981696.db2.gz FZOUXBTYQVOJAR-QHCPKHFHSA-N 1 0 397.478 3.815 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@](O)(c2ccccc2Cl)C(F)(F)F)cc1 ZINC001308558914 1050009010 /nfs/dbraw/zinc/00/90/10/1050009010.db2.gz RRBJBYGAOANFTJ-SFHVURJKSA-N 1 0 383.797 3.892 20 30 GHEDRO C=CCC[C@@H](CCC)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001308762910 1050086864 /nfs/dbraw/zinc/08/68/64/1050086864.db2.gz VFOZNTZRAPUZHQ-CQSZACIVSA-N 1 0 386.277 3.954 20 30 GHEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)CC(C)(C)C#N ZINC001308766817 1050087344 /nfs/dbraw/zinc/08/73/44/1050087344.db2.gz WEPSJRDNGCMSJM-ZIAGYGMSSA-N 1 0 383.330 3.527 20 30 GHEDRO C=CCC1([NH2+]C[C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)CCCC1 ZINC001308863075 1050128847 /nfs/dbraw/zinc/12/88/47/1050128847.db2.gz BNJJTGGVQANIIR-GOSISDBHSA-N 1 0 390.572 3.890 20 30 GHEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C)c1ccccc1 ZINC001309014803 1050274600 /nfs/dbraw/zinc/27/46/00/1050274600.db2.gz YMAJKAHCIWCKQN-JOCHJYFZSA-N 1 0 399.560 3.678 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)s1 ZINC001328425860 1050505309 /nfs/dbraw/zinc/50/53/09/1050505309.db2.gz XBRIPZLURATHBZ-CZUORRHYSA-N 1 0 385.455 3.775 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c2ccc(OC)cc2OC)cc1 ZINC001328570153 1050546907 /nfs/dbraw/zinc/54/69/07/1050546907.db2.gz LXGDCUUNYOWEIH-VGOFRKELSA-N 1 0 398.503 3.692 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3(C4CC4)CCOCC3)sc2C1 ZINC001328613595 1050560899 /nfs/dbraw/zinc/56/08/99/1050560899.db2.gz VKWBYMTUEVIMDN-CQSZACIVSA-N 1 0 387.549 3.622 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)C1 ZINC001328773365 1050633676 /nfs/dbraw/zinc/63/36/76/1050633676.db2.gz YJFGQKQTZVXDKG-OALUTQOASA-N 1 0 379.932 3.709 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCOCC1 ZINC001328835608 1050653388 /nfs/dbraw/zinc/65/33/88/1050653388.db2.gz ZCGWFAIAHZYIHS-IRXDYDNUSA-N 1 0 385.533 3.547 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2c(C)n(C3CC3)c3ccc(OC)cc32)CC1 ZINC001330677574 1051066301 /nfs/dbraw/zinc/06/63/01/1051066301.db2.gz HFDFFFDGMPYNLA-UHFFFAOYSA-N 1 0 379.504 3.511 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC001310181083 1051210375 /nfs/dbraw/zinc/21/03/75/1051210375.db2.gz ADSRYJNXIVPVSZ-UHFFFAOYSA-N 1 0 388.471 3.878 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001310371345 1051314354 /nfs/dbraw/zinc/31/43/54/1051314354.db2.gz IMVWZWYCFWSEMC-IYBDPMFKSA-N 1 0 375.488 3.716 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001310374757 1051316820 /nfs/dbraw/zinc/31/68/20/1051316820.db2.gz WVPHPRRGCBZDER-HXUWFJFHSA-N 1 0 395.478 3.618 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)cc1 ZINC001310568661 1051455050 /nfs/dbraw/zinc/45/50/50/1051455050.db2.gz XMZZUQQQBLJAEN-IBGZPJMESA-N 1 0 379.508 3.819 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1Br ZINC001310713492 1051545463 /nfs/dbraw/zinc/54/54/63/1051545463.db2.gz RPRBQMILWQQLMR-MRXNPFEDSA-N 1 0 391.313 3.707 20 30 GHEDRO Cc1c(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)cnn1CCC#N ZINC001332895544 1051595328 /nfs/dbraw/zinc/59/53/28/1051595328.db2.gz LQVLOGRQCLDSHL-UHFFFAOYSA-N 1 0 394.504 3.561 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001310862975 1051663570 /nfs/dbraw/zinc/66/35/70/1051663570.db2.gz CXPFCCXFDLEWOY-XJKSGUPXSA-N 1 0 394.313 3.572 20 30 GHEDRO Cc1cc(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001311069965 1051823605 /nfs/dbraw/zinc/82/36/05/1051823605.db2.gz CPFGXHZAZHGYLF-PKOBYXMFSA-N 1 0 377.492 3.684 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC001311351018 1052048343 /nfs/dbraw/zinc/04/83/43/1052048343.db2.gz XQFLGNLHHGJHBP-DHIUTWEWSA-N 1 0 391.515 3.896 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001335708042 1052155168 /nfs/dbraw/zinc/15/51/68/1052155168.db2.gz MSGWOFFUHXXVJU-WIYYLYMNSA-N 1 0 383.517 3.702 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cccc(Oc3ccccc3F)c2)CCOCC1 ZINC001336794795 1052336491 /nfs/dbraw/zinc/33/64/91/1052336491.db2.gz NKVLKENYVLCPLN-SFHVURJKSA-N 1 0 384.451 3.779 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001311993517 1052519503 /nfs/dbraw/zinc/51/95/03/1052519503.db2.gz JGXFIECDNQHFRD-MAUKXSAKSA-N 1 0 381.442 3.887 20 30 GHEDRO C#C[C@H](NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC001312217707 1052642817 /nfs/dbraw/zinc/64/28/17/1052642817.db2.gz BDISIGYNLVOJFY-IPJJNNNSSA-N 1 0 375.516 3.817 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC001312651870 1052826612 /nfs/dbraw/zinc/82/66/12/1052826612.db2.gz SXPVNEOAIPUMNZ-NRFANRHFSA-N 1 0 394.519 3.839 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1ccc(Br)cc1 ZINC001312937329 1052916055 /nfs/dbraw/zinc/91/60/55/1052916055.db2.gz PCQNKBGVKICTJI-ZWKOTPCHSA-N 1 0 392.341 3.543 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC001313395889 1053041709 /nfs/dbraw/zinc/04/17/09/1053041709.db2.gz ASTJDAZKZGYBSD-UHFFFAOYSA-N 1 0 396.494 3.963 20 30 GHEDRO CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001313685514 1053169998 /nfs/dbraw/zinc/16/99/98/1053169998.db2.gz IMSURWLCMPCQTQ-GOSISDBHSA-N 1 0 378.480 3.559 20 30 GHEDRO C=CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C3CCOCC3)n2CC=C)C1 ZINC001342455990 1053179110 /nfs/dbraw/zinc/17/91/10/1053179110.db2.gz SZJNGCRXRMNMCK-AZUAARDMSA-N 1 0 385.556 3.573 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001313712259 1053184842 /nfs/dbraw/zinc/18/48/42/1053184842.db2.gz MLKBQAYCAQNVMP-QZTJIDSGSA-N 1 0 380.540 3.783 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001342792613 1053359289 /nfs/dbraw/zinc/35/92/89/1053359289.db2.gz WTFPLXKICWQRJK-UHFFFAOYSA-N 1 0 393.457 3.513 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001342964602 1053462949 /nfs/dbraw/zinc/46/29/49/1053462949.db2.gz FEEXTMJXJHHLCD-LJQANCHMSA-N 1 0 392.551 3.830 20 30 GHEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC001343272409 1053668647 /nfs/dbraw/zinc/66/86/47/1053668647.db2.gz KLEJVVAVWIMKCA-NSQNTRMNSA-N 1 0 375.516 3.582 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC(C)(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343344706 1053718442 /nfs/dbraw/zinc/71/84/42/1053718442.db2.gz NXGZMXPCQDUHIU-GOSISDBHSA-N 1 0 377.577 3.634 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001343716816 1053983425 /nfs/dbraw/zinc/98/34/25/1053983425.db2.gz KYIPSXKVQPWGMR-UXHICEINSA-N 1 0 382.556 3.574 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2ccc(OCC#N)cc2)[NH+]2CCCC2)cc1 ZINC001317833336 1054273780 /nfs/dbraw/zinc/27/37/80/1054273780.db2.gz LMCFIIDVAQQHBK-NRFANRHFSA-N 1 0 394.475 3.556 20 30 GHEDRO N#CCOc1ccccc1C(=O)Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC001318230078 1054514261 /nfs/dbraw/zinc/51/42/61/1054514261.db2.gz RRCLJMXTOQFQSC-UHFFFAOYSA-N 1 0 389.459 3.703 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ccc(F)cc2n1 ZINC001318240206 1054520024 /nfs/dbraw/zinc/52/00/24/1054520024.db2.gz PJMNJYWJINFRGH-UHFFFAOYSA-N 1 0 390.462 3.758 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCCC4(CC[NH2+]CC4)C3)c2)s1 ZINC001345143201 1054919502 /nfs/dbraw/zinc/91/95/02/1054919502.db2.gz STZQCQXJXWXMHB-UHFFFAOYSA-N 1 0 394.544 3.962 20 30 GHEDRO COc1ccc(Cl)cc1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001319886463 1055522862 /nfs/dbraw/zinc/52/28/62/1055522862.db2.gz ZZGXWSWWWTYVHA-UHFFFAOYSA-N 1 0 380.879 3.953 20 30 GHEDRO N#Cc1ccc(OCc2cccc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)c2)cc1 ZINC001320496924 1055842472 /nfs/dbraw/zinc/84/24/72/1055842472.db2.gz UMYWVQJKNWOSQP-NRFANRHFSA-N 1 0 386.455 3.996 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)C1C=CC(=NC(C)=O)C=C1)C(=S)NC1(C)CC1 ZINC001321607768 1056338625 /nfs/dbraw/zinc/33/86/25/1056338625.db2.gz XKBUUTIYIROMAX-UHFFFAOYSA-O 1 0 396.536 3.660 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CC[NH+](C(C)C)C(C)C ZINC001300572652 1056513704 /nfs/dbraw/zinc/51/37/04/1056513704.db2.gz YXZOCPPIRPCXOW-UHFFFAOYSA-N 1 0 391.563 3.835 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300587580 1056558397 /nfs/dbraw/zinc/55/83/97/1056558397.db2.gz QLSFOVLUCLLBNN-OAQYLSRUSA-N 1 0 395.595 3.738 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[NH+](CC)CC ZINC001300609026 1056632727 /nfs/dbraw/zinc/63/27/27/1056632727.db2.gz HQZMFJWLPITJHD-OAHLLOKOSA-N 1 0 391.922 3.927 20 30 GHEDRO [NH3+]C[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000848439145 1057088989 /nfs/dbraw/zinc/08/89/89/1057088989.db2.gz LWIPAFKUHOLMEJ-YOLVWIGZSA-N 1 0 394.237 3.743 20 30 GHEDRO CC[C@H](Oc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001355284646 1057105973 /nfs/dbraw/zinc/10/59/73/1057105973.db2.gz XXJFMFMCHGKXFC-FQEVSTJZSA-N 1 0 399.922 3.959 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)C1 ZINC001324329758 1057113065 /nfs/dbraw/zinc/11/30/65/1057113065.db2.gz FGXYTXGRQIARKC-OOMBGRCJSA-N 1 0 395.934 3.927 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(Br)o2)c(-c2ccncc2)n1 ZINC001324868498 1057238625 /nfs/dbraw/zinc/23/86/25/1057238625.db2.gz FEKXATOXNQPDNX-UHFFFAOYSA-N 1 0 386.253 3.504 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325029424 1057266921 /nfs/dbraw/zinc/26/69/21/1057266921.db2.gz SRZVFBLFJNLIRM-MJGOQNOKSA-N 1 0 378.476 3.621 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001356100256 1057388700 /nfs/dbraw/zinc/38/87/00/1057388700.db2.gz KPCGGFJRJUHJTF-NBYUQASBSA-N 1 0 399.583 3.588 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001356175359 1057418180 /nfs/dbraw/zinc/41/81/80/1057418180.db2.gz BUOHDWXMPMPPMA-PZJWPPBQSA-N 1 0 399.583 3.797 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCNc1ccc(C#N)cn1)c1ccc(Cl)cc1Cl ZINC000849071348 1057580920 /nfs/dbraw/zinc/58/09/20/1057580920.db2.gz KAFYIHVXMWKKKR-LLVKDONJSA-N 1 0 377.279 3.547 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cccc(-n2cncn2)c1 ZINC000849079746 1057583596 /nfs/dbraw/zinc/58/35/96/1057583596.db2.gz UNHQMXPCROQTRH-UHFFFAOYSA-N 1 0 376.508 3.611 20 30 GHEDRO C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001357125442 1057610580 /nfs/dbraw/zinc/61/05/80/1057610580.db2.gz AMKRDEJNNLDHCN-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO Cn1c([C@H]2CCCCN2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338394762 1058545719 /nfs/dbraw/zinc/54/57/19/1058545719.db2.gz LJKKMBXJSRXLEV-KNQAVFIVSA-N 1 0 378.524 3.672 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N(C)[C@H]3CCC[C@@H]3C#N)n2C)C1 ZINC001338659275 1058715618 /nfs/dbraw/zinc/71/56/18/1058715618.db2.gz SBDAWFIHDCNIEM-NSAZKJPHSA-N 1 0 396.514 3.575 20 30 GHEDRO C#CC1CCC(c2nnc(Nc3cnn(C4CC[NH+](C)CC4)c3)n2CC=C)CC1 ZINC001338862594 1058840199 /nfs/dbraw/zinc/84/01/99/1058840199.db2.gz FSSOUXASFDRIIT-UHFFFAOYSA-N 1 0 393.539 3.578 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001338866710 1058843315 /nfs/dbraw/zinc/84/33/15/1058843315.db2.gz DTRZALGRUPWZLC-TZIWHRDSSA-N 1 0 392.551 3.830 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N3CCC[C@H]3c3cccs3)n2CC=C)CC1 ZINC001338980210 1058912293 /nfs/dbraw/zinc/91/22/93/1058912293.db2.gz CSUZUOMMCPUJLN-SFHVURJKSA-N 1 0 381.549 3.680 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001442136331 1058925199 /nfs/dbraw/zinc/92/51/99/1058925199.db2.gz LYYBFSSXCKLDRA-HRPUXXBWSA-N 1 0 386.536 3.756 20 30 GHEDRO C=CCn1c(-c2sc3ccccc3c2N)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001339104943 1058961590 /nfs/dbraw/zinc/96/15/90/1058961590.db2.gz MIQJYWAWDDOEDO-UHFFFAOYSA-N 1 0 396.564 3.895 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(Br)c(F)cc1N)C(C)C ZINC001443420802 1059125560 /nfs/dbraw/zinc/12/55/60/1059125560.db2.gz CPIYHDHKFQVAJT-KRWDZBQOSA-N 1 0 398.320 3.599 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC001443513387 1059141786 /nfs/dbraw/zinc/14/17/86/1059141786.db2.gz DKRULHNEPVMJMV-UHFFFAOYSA-N 1 0 385.733 3.802 20 30 GHEDRO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001339775775 1059461624 /nfs/dbraw/zinc/46/16/24/1059461624.db2.gz ZHCSJCUJLVHNBV-YHYVQYDKSA-N 1 0 387.572 3.652 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC001445522053 1059551192 /nfs/dbraw/zinc/55/11/92/1059551192.db2.gz DDPARTRCKYVUJQ-DENIHFKCSA-N 1 0 377.463 3.824 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC(C)(C)CC1 ZINC001339918362 1059556194 /nfs/dbraw/zinc/55/61/94/1059556194.db2.gz PRYQYIPXYJERJF-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(-c2scnc2CC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001339919249 1059557655 /nfs/dbraw/zinc/55/76/55/1059557655.db2.gz XSUDMTWJNPWZPS-YJBOKZPZSA-N 1 0 398.580 3.603 20 30 GHEDRO CC(C)[C@@H]1CN(c2nnc([C@@H](C)CCC#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC001340074648 1059671454 /nfs/dbraw/zinc/67/14/54/1059671454.db2.gz UFVVRCPHUSYIOL-ICSRJNTNSA-N 1 0 380.540 3.569 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001340124726 1059711057 /nfs/dbraw/zinc/71/10/57/1059711057.db2.gz WLGYJSKKAWWRCN-NHCUHLMSSA-N 1 0 392.551 3.806 20 30 GHEDRO O=C(CC#Cc1ccccc1)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001340376513 1059899647 /nfs/dbraw/zinc/89/96/47/1059899647.db2.gz QRGUBHGJYIECHH-UHFFFAOYSA-N 1 0 389.499 3.881 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC)Cc1ccccc1 ZINC001340637933 1060012045 /nfs/dbraw/zinc/01/20/45/1060012045.db2.gz ZDJPBQTVXPKISB-NRFANRHFSA-N 1 0 395.551 3.807 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001450675376 1060649712 /nfs/dbraw/zinc/64/97/12/1060649712.db2.gz MVLSWBUPQNYRNI-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO Cn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001341546025 1060739179 /nfs/dbraw/zinc/73/91/79/1060739179.db2.gz WVTDHLGKKFJEAC-OAQYLSRUSA-N 1 0 398.514 3.587 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC2(CC2)CC1 ZINC001341681124 1060807585 /nfs/dbraw/zinc/80/75/85/1060807585.db2.gz YKNRZGRWAAGPFZ-FQEVSTJZSA-N 1 0 399.583 3.941 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)[C@@H](C)C1 ZINC001341882504 1060935285 /nfs/dbraw/zinc/93/52/85/1060935285.db2.gz PMGYOYVCWSTANU-ZJOUEHCJSA-N 1 0 394.567 3.900 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)C1 ZINC001341986987 1060983183 /nfs/dbraw/zinc/98/31/83/1060983183.db2.gz BRHDPWMFQLHEIG-FQEVSTJZSA-N 1 0 394.567 3.587 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCOCC2(CC2)C1 ZINC001342018404 1060999059 /nfs/dbraw/zinc/99/90/59/1060999059.db2.gz CPDXOUHKJWFDEA-IBGZPJMESA-N 1 0 385.556 3.551 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342218142 1061144021 /nfs/dbraw/zinc/14/40/21/1061144021.db2.gz KHSHGTGJDMTGBO-RTBURBONSA-N 1 0 394.567 3.831 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001342263359 1061186145 /nfs/dbraw/zinc/18/61/45/1061186145.db2.gz JXUVMPPYQXHZEM-UHFFFAOYSA-N 1 0 377.602 3.775 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(c2nnc(-c3coc(C#N)c3)n2CC2CC2)CC1 ZINC001346014709 1061288431 /nfs/dbraw/zinc/28/84/31/1061288431.db2.gz FCMCORFYJXTSJL-UHFFFAOYSA-N 1 0 394.523 3.665 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nnc1C1(C#N)CCCC1 ZINC001346173835 1061427524 /nfs/dbraw/zinc/42/75/24/1061427524.db2.gz ISJVZVBFXKLCPO-GOSISDBHSA-N 1 0 382.556 3.500 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC001346417825 1061554768 /nfs/dbraw/zinc/55/47/68/1061554768.db2.gz LUGQTBINJNEFAK-UGFHNGPFSA-N 1 0 377.357 3.503 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001346615740 1061732898 /nfs/dbraw/zinc/73/28/98/1061732898.db2.gz LUWSMUCGNXHOLC-XUVXKRRUSA-N 1 0 394.567 3.688 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc1 ZINC001454403456 1061757484 /nfs/dbraw/zinc/75/74/84/1061757484.db2.gz JTPVMDABOJIWTC-AUSIDOKSSA-N 1 0 378.516 3.821 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001346645886 1061759931 /nfs/dbraw/zinc/75/99/31/1061759931.db2.gz AVQDHPNJAXRXRZ-SJORKVTESA-N 1 0 381.515 3.925 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001455019397 1061979717 /nfs/dbraw/zinc/97/97/17/1061979717.db2.gz ZJZQYUGVVGTRTR-LJQANCHMSA-N 1 0 388.471 3.563 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC#N)[NH+](C)C ZINC001545812368 1062016716 /nfs/dbraw/zinc/01/67/16/1062016716.db2.gz NDVXXQWBNXKPAG-YLJYHZDGSA-N 1 0 397.571 3.753 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(OCC(F)(F)F)n3)CC2)cc1 ZINC001347139955 1062156265 /nfs/dbraw/zinc/15/62/65/1062156265.db2.gz HGENMKOKLNOTEZ-UHFFFAOYSA-N 1 0 390.409 3.653 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC001455946000 1062364549 /nfs/dbraw/zinc/36/45/49/1062364549.db2.gz OIFZIOMTQUKYKM-UHFFFAOYSA-N 1 0 384.829 3.604 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001456194693 1062546426 /nfs/dbraw/zinc/54/64/26/1062546426.db2.gz KBQUMOIETUQJLP-LJQANCHMSA-N 1 0 397.563 3.667 20 30 GHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccccc2C#Cc2ccccc2)ccn1 ZINC001435442493 1062612951 /nfs/dbraw/zinc/61/29/51/1062612951.db2.gz GFQOSFCKGATJCZ-UHFFFAOYSA-N 1 0 385.467 3.674 20 30 GHEDRO C=CCCOCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001458564370 1063894036 /nfs/dbraw/zinc/89/40/36/1063894036.db2.gz QQMIZJRHSDUIEO-BJKOFHAPSA-N 1 0 392.543 3.920 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1F)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001459344726 1064069418 /nfs/dbraw/zinc/06/94/18/1064069418.db2.gz FMCNCCXDIYTFKU-OAQYLSRUSA-N 1 0 378.488 3.576 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1F)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001459344723 1064070155 /nfs/dbraw/zinc/07/01/55/1064070155.db2.gz FMCNCCXDIYTFKU-NRFANRHFSA-N 1 0 378.488 3.576 20 30 GHEDRO CS[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1N(C)C ZINC001459891398 1064259665 /nfs/dbraw/zinc/25/96/65/1064259665.db2.gz GLOACOHJYYAPKW-FGZHOGPDSA-N 1 0 379.573 3.864 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC001460063089 1064388862 /nfs/dbraw/zinc/38/88/62/1064388862.db2.gz RFHDXKYYVZNBNH-CBGDNZLLSA-N 1 0 399.535 3.620 20 30 GHEDRO C=CCn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001351778997 1064597807 /nfs/dbraw/zinc/59/78/07/1064597807.db2.gz YIAYBTPPTNKJSZ-HSZRJFAPSA-N 1 0 394.567 3.644 20 30 GHEDRO C=CCn1c([C@@H](C)c2ccccn2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001351828325 1064629901 /nfs/dbraw/zinc/62/99/01/1064629901.db2.gz ALPVQYZZZQNYOX-IBGZPJMESA-N 1 0 396.583 3.959 20 30 GHEDRO C[C@@H]1CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCCCC2)O1 ZINC000847103850 1064708345 /nfs/dbraw/zinc/70/83/45/1064708345.db2.gz GKDBEUGJBFYKQU-AEFFLSMTSA-N 1 0 390.487 3.647 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001351961333 1064732785 /nfs/dbraw/zinc/73/27/85/1064732785.db2.gz PCUANHNWPAQQFQ-UHFFFAOYSA-N 1 0 386.496 3.565 20 30 GHEDRO CCn1c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001352407807 1065024803 /nfs/dbraw/zinc/02/48/03/1065024803.db2.gz IDHCOHWJQSQXNG-KKLQWCBXSA-N 1 0 392.551 3.664 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC001464585588 1065096648 /nfs/dbraw/zinc/09/66/48/1065096648.db2.gz LSPUMMRQNLAZGL-CMDGGOBGSA-N 1 0 382.529 3.824 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC001464640119 1065128820 /nfs/dbraw/zinc/12/88/20/1065128820.db2.gz LXHYBNZOVZUFQO-GOSISDBHSA-N 1 0 385.458 3.628 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H](C#N)CCc1ccccc1 ZINC001464640137 1065128911 /nfs/dbraw/zinc/12/89/11/1065128911.db2.gz LXHYBNZOVZUFQO-SFHVURJKSA-N 1 0 385.458 3.628 20 30 GHEDRO C#Cc1ccc(S(=O)(=O)N(CCC)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001464801167 1065219721 /nfs/dbraw/zinc/21/97/21/1065219721.db2.gz SWSGXXOYYHUUAW-UHFFFAOYSA-N 1 0 396.556 3.733 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C(C)C ZINC001464867653 1065251846 /nfs/dbraw/zinc/25/18/46/1065251846.db2.gz CHFLJGCCVODLNE-ROUUACIJSA-N 1 0 384.442 3.554 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+](C)C2CCCC2)s1 ZINC001464991650 1065312419 /nfs/dbraw/zinc/31/24/19/1065312419.db2.gz BDCASDNLSQPJPH-UHFFFAOYSA-N 1 0 388.002 3.829 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)cc1 ZINC001465398921 1065587754 /nfs/dbraw/zinc/58/77/54/1065587754.db2.gz QDLSHAVNUWOQFS-OAQYLSRUSA-N 1 0 398.551 3.695 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001465409700 1065594829 /nfs/dbraw/zinc/59/48/29/1065594829.db2.gz DRJFYYWZNKDAPL-UHFFFAOYSA-N 1 0 385.371 3.944 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC001465781389 1065852663 /nfs/dbraw/zinc/85/26/63/1065852663.db2.gz RTFWDSRYYOYAIP-INIZCTEOSA-N 1 0 375.488 3.860 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300280279 1065915092 /nfs/dbraw/zinc/91/50/92/1065915092.db2.gz AFBWKUMHBBBWJO-YLJYHZDGSA-N 1 0 391.519 3.861 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300282746 1065920370 /nfs/dbraw/zinc/92/03/70/1065920370.db2.gz IXEMGYVNJNBHQZ-ROUUACIJSA-N 1 0 391.519 3.881 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300282739 1065920511 /nfs/dbraw/zinc/92/05/11/1065920511.db2.gz IXEMGYVNJNBHQZ-MSOLQXFVSA-N 1 0 391.519 3.881 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300296051 1065946321 /nfs/dbraw/zinc/94/63/21/1065946321.db2.gz QIBCHMJXAFSVCI-QUCCMNQESA-N 1 0 392.551 3.595 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300302808 1065957002 /nfs/dbraw/zinc/95/70/02/1065957002.db2.gz DUDUOKGOLXATOY-ZVDOUQERSA-N 1 0 391.563 3.914 20 30 GHEDRO Cc1ccncc1/C=C/C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746326 1066017038 /nfs/dbraw/zinc/01/70/38/1066017038.db2.gz CTXKCJVBNDHDNC-BQYQJAHWSA-N 1 0 375.472 3.752 20 30 GHEDRO CCC[C@H]1C[C@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000847747508 1066024056 /nfs/dbraw/zinc/02/40/56/1066024056.db2.gz KDZQPVAKLDGQTO-RTWAWAEBSA-N 1 0 384.520 3.931 20 30 GHEDRO C#CC1(NC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CCCC1 ZINC001466568184 1066195339 /nfs/dbraw/zinc/19/53/39/1066195339.db2.gz JMKQKSWHEIWVOA-UHFFFAOYSA-N 1 0 375.900 3.881 20 30 GHEDRO C#CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001300399388 1066219914 /nfs/dbraw/zinc/21/99/14/1066219914.db2.gz KIAZSPDPLWKKCY-DLBZAZTESA-N 1 0 385.943 3.931 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)C1CC[NH+](C)CC1 ZINC001466817051 1066333488 /nfs/dbraw/zinc/33/34/88/1066333488.db2.gz UWOGIRNJDKFORG-UHFFFAOYSA-N 1 0 382.302 3.572 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001466817183 1066335035 /nfs/dbraw/zinc/33/50/35/1066335035.db2.gz WZWJWLRIIZXPGT-OAHLLOKOSA-N 1 0 396.329 3.960 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(F)cc1F ZINC001467189255 1067136420 /nfs/dbraw/zinc/13/64/20/1067136420.db2.gz WJHRODFJWHVEHU-HNNXBMFYSA-N 1 0 376.451 3.956 20 30 GHEDRO C#Cc1cccc(CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC001467629694 1067390893 /nfs/dbraw/zinc/39/08/93/1067390893.db2.gz HWMBFFKEJXQEHP-OAQYLSRUSA-N 1 0 381.907 3.958 20 30 GHEDRO C#Cc1cccc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC001467629691 1067391658 /nfs/dbraw/zinc/39/16/58/1067391658.db2.gz HWMBFFKEJXQEHP-NRFANRHFSA-N 1 0 381.907 3.958 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC001467700432 1067428366 /nfs/dbraw/zinc/42/83/66/1067428366.db2.gz QUFADZNYOKMICM-UHFFFAOYSA-N 1 0 381.192 3.794 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001467729085 1067439794 /nfs/dbraw/zinc/43/97/94/1067439794.db2.gz YUSKCOQWLOFUMW-IBGZPJMESA-N 1 0 395.588 3.816 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001358882992 1067594738 /nfs/dbraw/zinc/59/47/38/1067594738.db2.gz LPIDRZXTEXBJED-PMACEKPBSA-N 1 0 379.552 3.976 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001358884846 1067595841 /nfs/dbraw/zinc/59/58/41/1067595841.db2.gz YDZZCVBWELQQNQ-ROUUACIJSA-N 1 0 390.535 3.861 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001358898434 1067603917 /nfs/dbraw/zinc/60/39/17/1067603917.db2.gz SDRVONWSCTUJMS-VQTJNVASSA-N 1 0 397.567 3.600 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001359108701 1067687471 /nfs/dbraw/zinc/68/74/71/1067687471.db2.gz ZGOPJJXMNZJFHS-LJQANCHMSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC1CC[NH+](CCC)CC1 ZINC001359110549 1067689244 /nfs/dbraw/zinc/68/92/44/1067689244.db2.gz REWBGIDDEDQMIF-UHFFFAOYSA-N 1 0 382.556 3.865 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359114838 1067693383 /nfs/dbraw/zinc/69/33/83/1067693383.db2.gz BDGOCJOOSZQOBQ-HXUWFJFHSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359118737 1067695978 /nfs/dbraw/zinc/69/59/78/1067695978.db2.gz ZXVKSSNWDFZGGQ-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001359123742 1067697216 /nfs/dbraw/zinc/69/72/16/1067697216.db2.gz KCUWXSSDCOLOHR-IBGZPJMESA-N 1 0 383.540 3.580 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001359161852 1067717770 /nfs/dbraw/zinc/71/77/70/1067717770.db2.gz TUECDYLDHNIWGB-SFHVURJKSA-N 1 0 378.524 3.703 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001359162800 1067718245 /nfs/dbraw/zinc/71/82/45/1067718245.db2.gz FHOIMGDUQLISTI-GOSISDBHSA-N 1 0 383.515 3.973 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001359178092 1067737678 /nfs/dbraw/zinc/73/76/78/1067737678.db2.gz ITBKWXSLZYHNAI-PMACEKPBSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CC[C@@H](Cn1c(CC)nnc1N1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001359195312 1067763219 /nfs/dbraw/zinc/76/32/19/1067763219.db2.gz KLYSVAGHWVDPRJ-NRFANRHFSA-N 1 0 379.552 3.732 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C)o2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359234341 1067838062 /nfs/dbraw/zinc/83/80/62/1067838062.db2.gz LZUSLVYZXZFIHZ-UHFFFAOYSA-N 1 0 399.539 3.504 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001468779287 1067877930 /nfs/dbraw/zinc/87/79/30/1067877930.db2.gz VJTRWACMYIAGBP-UHFFFAOYSA-N 1 0 385.577 3.583 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(OC)c2)n1CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC001359247599 1067883554 /nfs/dbraw/zinc/88/35/54/1067883554.db2.gz INFDCIDLAAWDSW-KRWDZBQOSA-N 1 0 381.524 3.593 20 30 GHEDRO N#CC1(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCCC1 ZINC001477875047 1078607060 /nfs/dbraw/zinc/60/70/60/1078607060.db2.gz VVIQWDZVGKXEDU-UHFFFAOYSA-N 1 0 378.586 3.511 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001359250203 1067900693 /nfs/dbraw/zinc/90/06/93/1067900693.db2.gz DYKCNKRXEMEOKT-MJGOQNOKSA-N 1 0 385.512 3.570 20 30 GHEDRO C=CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC001359253484 1067908694 /nfs/dbraw/zinc/90/86/94/1067908694.db2.gz HUVAUQBVWKIFOC-HXUWFJFHSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCCC1(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCCC1 ZINC000849608938 1067919307 /nfs/dbraw/zinc/91/93/07/1067919307.db2.gz UJAJRCURWBKSIG-NHCUHLMSSA-N 1 0 386.584 3.877 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359277514 1067947590 /nfs/dbraw/zinc/94/75/90/1067947590.db2.gz NYNYQHGIORYFOM-RBUKOAKNSA-N 1 0 385.556 3.789 20 30 GHEDRO CC(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359787269 1068188801 /nfs/dbraw/zinc/18/88/01/1068188801.db2.gz XXFLWJGUXNJJQA-MOPGFXCFSA-N 1 0 386.588 3.727 20 30 GHEDRO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC001469543443 1068214695 /nfs/dbraw/zinc/21/46/95/1068214695.db2.gz CDWJPZBZAONPAF-QHCPKHFHSA-N 1 0 388.515 3.505 20 30 GHEDRO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC001469543442 1068214871 /nfs/dbraw/zinc/21/48/71/1068214871.db2.gz CDWJPZBZAONPAF-HSZRJFAPSA-N 1 0 388.515 3.505 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001360480775 1068526892 /nfs/dbraw/zinc/52/68/92/1068526892.db2.gz GUDZIXMOQOAUDM-FXAWDEMLSA-N 1 0 384.572 3.766 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC1(C#N)CCCCC1 ZINC001478139663 1078738670 /nfs/dbraw/zinc/73/86/70/1078738670.db2.gz VNBKQVQAAVIQNQ-KXTWHKPSSA-N 1 0 382.552 3.916 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCCC[C@H]3CCO)sc2C1 ZINC001460096076 1068779823 /nfs/dbraw/zinc/77/98/23/1068779823.db2.gz VRKALNYGANXBDG-CVEARBPZSA-N 1 0 389.565 3.700 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001460258480 1068889900 /nfs/dbraw/zinc/88/99/00/1068889900.db2.gz MOPGOSAJULARFW-IRXDYDNUSA-N 1 0 385.508 3.719 20 30 GHEDRO C[C@@H]1C[C@H](C)[N@H+](CCOc2ccccc2C#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460270837 1068899103 /nfs/dbraw/zinc/89/91/03/1068899103.db2.gz KTAUBOCDDKDRKM-AOIWGVFYSA-N 1 0 387.524 3.808 20 30 GHEDRO COc1cccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1C ZINC001460358078 1068940172 /nfs/dbraw/zinc/94/01/72/1068940172.db2.gz BJZIIAAVYBYUQT-UHFFFAOYSA-N 1 0 387.487 3.588 20 30 GHEDRO C[C@@H](C[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCC1 ZINC001460597664 1069015970 /nfs/dbraw/zinc/01/59/70/1069015970.db2.gz IVIIPPCEYADTQR-KRWDZBQOSA-N 1 0 379.508 3.831 20 30 GHEDRO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC001460652724 1069058878 /nfs/dbraw/zinc/05/88/78/1069058878.db2.gz KVCSOKLTYYDXJK-XMSQKQJNSA-N 1 0 386.442 3.673 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2CCOc2ccccc2C#N)C1 ZINC001460667251 1069070761 /nfs/dbraw/zinc/07/07/61/1069070761.db2.gz QIUPJTFONJZERJ-MOPGFXCFSA-N 1 0 385.508 3.658 20 30 GHEDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(C#N)cc1Br ZINC001460873853 1069244117 /nfs/dbraw/zinc/24/41/17/1069244117.db2.gz ZHEZPXGBWYBJDM-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ccc(SC)c(C#N)c1 ZINC001471337149 1073025722 /nfs/dbraw/zinc/02/57/22/1073025722.db2.gz NPOFBFVUILLYCK-UHFFFAOYSA-N 1 0 376.570 3.790 20 30 GHEDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC001472331687 1073427918 /nfs/dbraw/zinc/42/79/18/1073427918.db2.gz WEFQZMVMCPHILY-NVXWUHKLSA-N 1 0 390.325 3.656 20 30 GHEDRO CC(C)[N@H+](CCCN1CCN(c2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC001473131290 1073796067 /nfs/dbraw/zinc/79/60/67/1073796067.db2.gz VCSCMKFGMLMTGZ-UHFFFAOYSA-N 1 0 376.548 3.981 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)c2C)c1 ZINC001473179975 1073835357 /nfs/dbraw/zinc/83/53/57/1073835357.db2.gz MNYXKFMNOPNIML-NRFANRHFSA-N 1 0 375.472 3.770 20 30 GHEDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)o1 ZINC001473194396 1073846578 /nfs/dbraw/zinc/84/65/78/1073846578.db2.gz CRMOCUIHVOTPOD-OXQOHEQNSA-N 1 0 376.456 3.661 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC001473207166 1073859645 /nfs/dbraw/zinc/85/96/45/1073859645.db2.gz ZECZSPDYAZJHIB-QHCPKHFHSA-N 1 0 376.500 3.720 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001473333164 1073924123 /nfs/dbraw/zinc/92/41/23/1073924123.db2.gz UMYDBHPXUADMSZ-KSFYIVLOSA-N 1 0 386.455 3.590 20 30 GHEDRO CCC1(CC)[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1OC ZINC001473449081 1073968284 /nfs/dbraw/zinc/96/82/84/1073968284.db2.gz WJEMDDKOJGYDJD-IRXDYDNUSA-N 1 0 375.538 3.620 20 30 GHEDRO COc1ccc(C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C(C)(C)C)cc1 ZINC001473522996 1073999955 /nfs/dbraw/zinc/99/99/55/1073999955.db2.gz KYORYHADBBKWFQ-UHFFFAOYSA-N 1 0 390.483 3.595 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([N@H+](CCCOc2ccc(C#N)cc2)C2CCC2)C1 ZINC001473625351 1074054822 /nfs/dbraw/zinc/05/48/22/1074054822.db2.gz REYDWKYOZJBYRK-UHFFFAOYSA-N 1 0 385.508 3.801 20 30 GHEDRO CCCCN(CC(=O)NCc1cccc(C#N)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473682838 1074083739 /nfs/dbraw/zinc/08/37/39/1074083739.db2.gz FADNYOPPOHYSDK-UHFFFAOYSA-N 1 0 384.568 3.586 20 30 GHEDRO CCC(O)(CC)C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001473694657 1074091618 /nfs/dbraw/zinc/09/16/18/1074091618.db2.gz PUWQFTDZIZDDTP-CQSZACIVSA-N 1 0 377.554 3.699 20 30 GHEDRO C#CCC1([NH2+]CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CCC1 ZINC001473819534 1074159204 /nfs/dbraw/zinc/15/92/04/1074159204.db2.gz IIRAUUFPKUHHQZ-JOCHJYFZSA-N 1 0 396.556 3.940 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC001473824855 1074161709 /nfs/dbraw/zinc/16/17/09/1074161709.db2.gz UUHSCHOIYYSVHE-RBUKOAKNSA-N 1 0 396.560 3.960 20 30 GHEDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3csc(C#N)c3)n2)ccc1O ZINC001473997535 1074230443 /nfs/dbraw/zinc/23/04/43/1074230443.db2.gz FMVMZDAGBODQDO-UHFFFAOYSA-N 1 0 398.488 3.887 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(C)(C)C ZINC001474133746 1074272989 /nfs/dbraw/zinc/27/29/89/1074272989.db2.gz HDZJILBFZFIVPR-NRFANRHFSA-N 1 0 391.515 3.755 20 30 GHEDRO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001474185717 1074286972 /nfs/dbraw/zinc/28/69/72/1074286972.db2.gz YMCNOLAHFQIYDY-ISKFKSNPSA-N 1 0 389.543 3.868 20 30 GHEDRO COc1cc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c(Br)cc1O ZINC001474201066 1074291347 /nfs/dbraw/zinc/29/13/47/1074291347.db2.gz NAKXCOSPDJZBIR-UHFFFAOYSA-N 1 0 375.266 3.942 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001474266648 1074317983 /nfs/dbraw/zinc/31/79/83/1074317983.db2.gz XVSJLIOLNCWKJG-LLVKDONJSA-N 1 0 393.222 3.794 20 30 GHEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC001474460555 1074416009 /nfs/dbraw/zinc/41/60/09/1074416009.db2.gz ZXIDQCZWFFCVEN-KNXALSJPSA-N 1 0 388.817 3.846 20 30 GHEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001474716912 1074531186 /nfs/dbraw/zinc/53/11/86/1074531186.db2.gz DVEQGLOHEGAAEA-LZOLKVDOSA-N 1 0 377.448 3.841 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001493735009 1079290269 /nfs/dbraw/zinc/29/02/69/1079290269.db2.gz USKFJTSFTTVVLR-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@H+](CCCNS(=O)(=O)c1ccc(Cl)cc1C#N)C1CCCCC1 ZINC001475463638 1074883489 /nfs/dbraw/zinc/88/34/89/1074883489.db2.gz GXBAKRUCVRBUHB-UHFFFAOYSA-N 1 0 383.945 3.535 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001475633655 1074990083 /nfs/dbraw/zinc/99/00/83/1074990083.db2.gz IZTAKEIIOWWVMC-NRFANRHFSA-N 1 0 397.544 3.542 20 30 GHEDRO CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCC[NH2+]1 ZINC001476011599 1075068312 /nfs/dbraw/zinc/06/83/12/1075068312.db2.gz VMQBRLJFBMLOJD-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C(F)(F)F)c1 ZINC001476195673 1075102217 /nfs/dbraw/zinc/10/22/17/1075102217.db2.gz XPUSRIISZKPHCZ-MRXNPFEDSA-N 1 0 386.337 3.564 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001500998547 1079622733 /nfs/dbraw/zinc/62/27/33/1079622733.db2.gz OWUNYUSVPNXFRS-LAUBAEHRSA-N 1 0 390.551 3.573 20 30 GHEDRO CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001501460208 1079626172 /nfs/dbraw/zinc/62/61/72/1079626172.db2.gz RMPSRGSWUJIYTP-HTAPYJJXSA-N 1 0 380.540 3.783 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001648155123 1126250074 /nfs/dbraw/zinc/25/00/74/1126250074.db2.gz GLKYMIBHXYZMSL-FUHWJXTLSA-N 1 0 398.812 3.866 20 30 GHEDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001656294677 1126257512 /nfs/dbraw/zinc/25/75/12/1126257512.db2.gz XRGJECJXFSZYLP-LJQANCHMSA-N 1 0 379.287 3.979 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1OC ZINC001657791480 1126260931 /nfs/dbraw/zinc/26/09/31/1126260931.db2.gz FPLPLGZGBLCEBU-SFHVURJKSA-N 1 0 375.896 3.915 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000823883584 608285947 /nfs/dbraw/zinc/28/59/47/608285947.db2.gz UWHDQUQQCCTHMJ-AWEZNQCLSA-N 1 0 399.882 3.857 20 30 GHEDRO C=CCOc1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1OC ZINC000823932143 608531370 /nfs/dbraw/zinc/53/13/70/608531370.db2.gz PWKVFRKWENCIAB-UHFFFAOYSA-N 1 0 393.491 3.851 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621917 719047199 /nfs/dbraw/zinc/04/71/99/719047199.db2.gz KEXJKFOESSLKIB-QFBILLFUSA-N 1 0 388.849 3.735 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(Cl)c1C#N)CC2 ZINC001164844270 720675671 /nfs/dbraw/zinc/67/56/71/720675671.db2.gz ZVEHMOGEULKQPU-GOSISDBHSA-N 1 0 396.922 3.867 20 30 GHEDRO C=CCOc1cc(C)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791963 721495929 /nfs/dbraw/zinc/49/59/29/721495929.db2.gz HFASZMFCNZUOAQ-UHFFFAOYSA-N 1 0 393.535 3.626 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3C#N)C[C@H]21 ZINC001165027224 721802250 /nfs/dbraw/zinc/80/22/50/721802250.db2.gz UNWZUGLNSVMQCT-ATZDWAIDSA-N 1 0 381.911 3.739 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(CC#N)cc3Cl)C[C@H]21 ZINC001165024579 721828439 /nfs/dbraw/zinc/82/84/39/721828439.db2.gz KMHUJGDTRQLKKT-YFVAEKQCSA-N 1 0 395.938 3.933 20 30 GHEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000376468252 837446013 /nfs/dbraw/zinc/44/60/13/837446013.db2.gz JSCIUURDQYFHSX-FXAWDEMLSA-N 1 0 394.519 3.613 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000581527261 837537776 /nfs/dbraw/zinc/53/77/76/837537776.db2.gz DQDPRXXFTUHGII-UHFFFAOYSA-N 1 0 384.402 3.795 20 30 GHEDRO CSc1nc(C2CC2)cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1C#N ZINC000581633837 837555483 /nfs/dbraw/zinc/55/54/83/837555483.db2.gz KVEYQLPNXLNFRK-OXJNMPFZSA-N 1 0 397.504 3.528 20 30 GHEDRO Cc1cccc2c1ncc(C#N)c2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000610277964 837603629 /nfs/dbraw/zinc/60/36/29/837603629.db2.gz QRTHYHTTWXBKIV-UHFFFAOYSA-N 1 0 386.499 3.924 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000610178044 834528006 /nfs/dbraw/zinc/52/80/06/834528006.db2.gz MDNXCJKLSXRVLW-OXJNMPFZSA-N 1 0 381.476 3.533 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000128187027 834572541 /nfs/dbraw/zinc/57/25/41/834572541.db2.gz HHXZBVAMCFOWNM-ZDUSSCGKSA-N 1 0 382.407 3.702 20 30 GHEDRO Cn1nccc1[C@H]1CCCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000329230040 834592302 /nfs/dbraw/zinc/59/23/02/834592302.db2.gz DECSLHRDEQZDGV-JOCHJYFZSA-N 1 0 395.551 3.773 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000562907395 834694174 /nfs/dbraw/zinc/69/41/74/834694174.db2.gz HHINZBZVLNWEHK-CQSZACIVSA-N 1 0 385.346 3.841 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1F ZINC000577756388 834731338 /nfs/dbraw/zinc/73/13/38/834731338.db2.gz CUPLWYUBNZNPCP-QHCPKHFHSA-N 1 0 377.463 3.826 20 30 GHEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000329283301 834739687 /nfs/dbraw/zinc/73/96/87/834739687.db2.gz LBYRFTWCWUDDKV-SFHVURJKSA-N 1 0 397.563 3.961 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1Cl ZINC000558466876 834750282 /nfs/dbraw/zinc/75/02/82/834750282.db2.gz SAJAELAKHGTBBQ-LJQANCHMSA-N 1 0 394.906 3.677 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430923038 834768172 /nfs/dbraw/zinc/76/81/72/834768172.db2.gz DDXVCQULAZSTPR-NRFANRHFSA-N 1 0 377.488 3.611 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCN(c4cccc(F)c4)C3)CC2)cc1 ZINC000563904364 834817212 /nfs/dbraw/zinc/81/72/12/834817212.db2.gz TYPDXCZFUNJWIQ-NRFANRHFSA-N 1 0 378.495 3.925 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)c(C#N)c1C ZINC000177187184 837812535 /nfs/dbraw/zinc/81/25/35/837812535.db2.gz RVAKONWRTVLSQI-LJQANCHMSA-N 1 0 385.533 3.694 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000329326398 834842013 /nfs/dbraw/zinc/84/20/13/834842013.db2.gz JHEWVIGVQRFYFN-MJGOQNOKSA-N 1 0 383.536 3.960 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000583701129 834895782 /nfs/dbraw/zinc/89/57/82/834895782.db2.gz DIBLKUUKQGQXMS-FPOVZHCZSA-N 1 0 376.504 3.823 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329403115 834982377 /nfs/dbraw/zinc/98/23/77/834982377.db2.gz YRGCKTIZSXRVGT-ICSRJNTNSA-N 1 0 385.556 3.875 20 30 GHEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)CC3CCC(C(C)(C)C)CC3)CC2)C1=O ZINC000329430756 835026077 /nfs/dbraw/zinc/02/60/77/835026077.db2.gz KHVQSHFFDRWTRU-TVPLGVNVSA-N 1 0 377.573 3.881 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000120312183 835093114 /nfs/dbraw/zinc/09/31/14/835093114.db2.gz GYQUNKYUDAHSPZ-SJORKVTESA-N 1 0 387.524 3.866 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)c1 ZINC000247096716 835115680 /nfs/dbraw/zinc/11/56/80/835115680.db2.gz DYBNHAOGRZAWEM-RXVVDRJESA-N 1 0 389.540 3.900 20 30 GHEDRO C=CCn1c(COCC)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000685542182 835141235 /nfs/dbraw/zinc/14/12/35/835141235.db2.gz BFLBSCCLIQMKNK-QUCCMNQESA-N 1 0 383.540 3.662 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000329523134 835185493 /nfs/dbraw/zinc/18/54/93/835185493.db2.gz RLTJJASJNZOREE-QZTJIDSGSA-N 1 0 399.539 3.553 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000433342291 844028526 /nfs/dbraw/zinc/02/85/26/844028526.db2.gz IXUBISFWFUCRLW-PMACEKPBSA-N 1 0 381.545 3.849 20 30 GHEDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000097492847 835254164 /nfs/dbraw/zinc/25/41/64/835254164.db2.gz USVYNPZUXUWFOT-OAQYLSRUSA-N 1 0 397.544 3.519 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000127010756 835315364 /nfs/dbraw/zinc/31/53/64/835315364.db2.gz ZTIUQDFKJQKBLP-KRWDZBQOSA-N 1 0 394.475 3.775 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 ZINC000157661790 835331921 /nfs/dbraw/zinc/33/19/21/835331921.db2.gz QFYLUAIJPAXVSG-UHFFFAOYSA-N 1 0 379.504 3.874 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCCOc2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000278578035 835462815 /nfs/dbraw/zinc/46/28/15/835462815.db2.gz FKFSBNVSWBJSPG-UHFFFAOYSA-N 1 0 393.466 3.947 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000658139377 835466445 /nfs/dbraw/zinc/46/64/45/835466445.db2.gz QCVUARQVMKHHQV-PZJWPPBQSA-N 1 0 383.536 3.515 20 30 GHEDRO C=C[C@@H]1CCCCN1CC(=O)Nc1ccc(I)cc1C ZINC000489433620 835469522 /nfs/dbraw/zinc/46/95/22/835469522.db2.gz KJJSRRYLVXVPBA-CQSZACIVSA-N 1 0 384.261 3.579 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508814581 844060771 /nfs/dbraw/zinc/06/07/71/844060771.db2.gz UUSWFSGBIWTKIL-FQEVSTJZSA-N 1 0 395.551 3.664 20 30 GHEDRO N#Cc1cccc(Cl)c1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413581949 835554761 /nfs/dbraw/zinc/55/47/61/835554761.db2.gz NINOBHOIPVWXPK-UHFFFAOYSA-N 1 0 382.895 3.521 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000612132372 835587962 /nfs/dbraw/zinc/58/79/62/835587962.db2.gz KZVAXEFPHXQKOA-LVCYWYKZSA-N 1 0 395.453 3.867 20 30 GHEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000127098430 835593382 /nfs/dbraw/zinc/59/33/82/835593382.db2.gz BTZRFGLAJMBIIA-HNNXBMFYSA-N 1 0 382.439 3.905 20 30 GHEDRO Fc1ccccc1-c1cnc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)o1 ZINC000255717703 835658193 /nfs/dbraw/zinc/65/81/93/835658193.db2.gz GUTGFYGNFQXNMP-UHFFFAOYSA-N 1 0 381.407 3.868 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000177064283 835732295 /nfs/dbraw/zinc/73/22/95/835732295.db2.gz RGFQFGZDMOCGIT-IEBWSBKVSA-N 1 0 387.524 3.952 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000278670738 835754460 /nfs/dbraw/zinc/75/44/60/835754460.db2.gz GBEYCNDXXKQVFZ-VVWQDTPRSA-N 1 0 380.891 3.569 20 30 GHEDRO C=CCc1cc(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc(OC)c1O ZINC000179762134 835792047 /nfs/dbraw/zinc/79/20/47/835792047.db2.gz IEWCYALKLCFQHR-UHFFFAOYSA-N 1 0 382.504 3.598 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 ZINC000102717904 835804796 /nfs/dbraw/zinc/80/47/96/835804796.db2.gz IJPZAJXOBUUEOK-OAQYLSRUSA-N 1 0 389.455 3.763 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584320638 835875676 /nfs/dbraw/zinc/87/56/76/835875676.db2.gz FIYJLYNVRRYFIF-UXHICEINSA-N 1 0 390.487 3.553 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)CC2 ZINC000584321281 835877034 /nfs/dbraw/zinc/87/70/34/835877034.db2.gz NKDOGUFKPCHANG-LJQANCHMSA-N 1 0 398.304 3.718 20 30 GHEDRO Cc1cc(-c2noc([C@H](c3ccccc3Cl)N3CC[NH2+]CC3)n2)ccc1C#N ZINC001211634038 836141320 /nfs/dbraw/zinc/14/13/20/836141320.db2.gz JBERHWXJBHZJCA-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1C#N ZINC000610244030 836148073 /nfs/dbraw/zinc/14/80/73/836148073.db2.gz UAUAJLPYUDKZLU-HNNXBMFYSA-N 1 0 384.549 3.501 20 30 GHEDRO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000513033106 844143067 /nfs/dbraw/zinc/14/30/67/844143067.db2.gz RPUMNKCLNMSUGG-KPFFTGBYSA-N 1 0 375.463 3.732 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(F)c(F)c1 ZINC000065931051 836252005 /nfs/dbraw/zinc/25/20/05/836252005.db2.gz JCTMYRWIEWHHJT-UHFFFAOYSA-N 1 0 389.471 3.519 20 30 GHEDRO Cc1ccc(OCCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931155 836252958 /nfs/dbraw/zinc/25/29/58/836252958.db2.gz XLHLQZLENDYNME-UHFFFAOYSA-N 1 0 379.504 3.616 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1 ZINC000613389145 836254767 /nfs/dbraw/zinc/25/47/67/836254767.db2.gz JJNPAFZSSAGPHG-JTAQYXEDSA-N 1 0 393.531 3.693 20 30 GHEDRO COc1ccc(S[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930375 836255079 /nfs/dbraw/zinc/25/50/79/836255079.db2.gz CTSOSIIUPNGAKC-QGZVFWFLSA-N 1 0 397.544 3.638 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613389757 836270708 /nfs/dbraw/zinc/27/07/08/836270708.db2.gz NAQGUUBLUZPAEP-UWVAXJGDSA-N 1 0 397.544 3.774 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccc(C#N)cc1 ZINC000548932224 836280953 /nfs/dbraw/zinc/28/09/53/836280953.db2.gz WESTUMVUYKQCDI-OAHLLOKOSA-N 1 0 393.878 3.746 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(CN4CCOC4=O)cc3)CC2)cc1 ZINC000179897546 836292151 /nfs/dbraw/zinc/29/21/51/836292151.db2.gz CCFBQTORQFKVNZ-UHFFFAOYSA-N 1 0 390.487 3.587 20 30 GHEDRO COc1cccc([C@H](CNc2c(C#N)cnc3c(F)ccc(F)c32)[NH+](C)C)c1 ZINC000610246722 836357044 /nfs/dbraw/zinc/35/70/44/836357044.db2.gz SOHUOUZASPZMBA-SFHVURJKSA-N 1 0 382.414 3.530 20 30 GHEDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000170670748 836556490 /nfs/dbraw/zinc/55/64/90/836556490.db2.gz HEBQKFUZMVFOQX-MRXNPFEDSA-N 1 0 383.517 3.807 20 30 GHEDRO N#CC1(CCC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)CCOCC1 ZINC000375607291 836605687 /nfs/dbraw/zinc/60/56/87/836605687.db2.gz LZBQHUYWMNNHQT-IBGZPJMESA-N 1 0 379.508 3.752 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(NC[C@H](C(C)C)[NH+]3CCN(C)CC3)c2c1 ZINC000548953949 836615761 /nfs/dbraw/zinc/61/57/61/836615761.db2.gz PCIWIXBNUFTWKY-LJQANCHMSA-N 1 0 385.943 3.752 20 30 GHEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2cccc(C#Cc3cccs3)c2)CCCO1 ZINC000683363048 836658927 /nfs/dbraw/zinc/65/89/27/836658927.db2.gz GIUBTZPBAMJGBD-SFHVURJKSA-N 1 0 397.544 3.770 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(C#N)c3C)CC2)cc1 ZINC000513058234 844192309 /nfs/dbraw/zinc/19/23/09/844192309.db2.gz KVEWJVHERWLBIV-UHFFFAOYSA-N 1 0 377.488 3.517 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCc3ccc(F)cc3C#N)cc2)CC1 ZINC000728626525 836799861 /nfs/dbraw/zinc/79/98/61/836799861.db2.gz YQUBUPHXCFCJSZ-UHFFFAOYSA-N 1 0 381.451 3.585 20 30 GHEDRO Cn1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180243508 836854212 /nfs/dbraw/zinc/85/42/12/836854212.db2.gz AVOAYYZJCKPKAG-QFIPXVFZSA-N 1 0 394.519 3.509 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000066202906 836946240 /nfs/dbraw/zinc/94/62/40/836946240.db2.gz JVRMTULIKYHDOR-INIZCTEOSA-N 1 0 393.491 3.662 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000275437334 837044622 /nfs/dbraw/zinc/04/46/22/837044622.db2.gz IRFSAWKKHIGPKB-ZDUSSCGKSA-N 1 0 383.402 3.982 20 30 GHEDRO COc1ccccc1OC[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351736 837168956 /nfs/dbraw/zinc/16/89/56/837168956.db2.gz TUDRYOMPMVWMGC-QGZVFWFLSA-N 1 0 390.487 3.772 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000756002028 837213368 /nfs/dbraw/zinc/21/33/68/837213368.db2.gz ZNLVUFJXADUZIY-APWZRJJASA-N 1 0 386.430 3.852 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655775993 837858537 /nfs/dbraw/zinc/85/85/37/837858537.db2.gz FZEOMKROPQHXHM-MRXNPFEDSA-N 1 0 381.314 3.679 20 30 GHEDRO COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCCCC#N ZINC000376539022 837947170 /nfs/dbraw/zinc/94/71/70/837947170.db2.gz ZSLKNCRZEKAPRX-RDJZCZTQSA-N 1 0 383.414 3.573 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CC1 ZINC000187833184 837986329 /nfs/dbraw/zinc/98/63/29/837986329.db2.gz AYVJRQZGSPZXHH-UHFFFAOYSA-N 1 0 396.535 3.538 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCOCC1)c1ccccc1 ZINC000127174214 838003871 /nfs/dbraw/zinc/00/38/71/838003871.db2.gz YKJXYTTWWIDVRS-INIZCTEOSA-N 1 0 397.906 3.841 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(C#N)c1C ZINC000181385552 838201829 /nfs/dbraw/zinc/20/18/29/838201829.db2.gz LEYYDORVRPBYRL-LSDHHAIUSA-N 1 0 394.475 3.573 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000122714451 838212379 /nfs/dbraw/zinc/21/23/79/838212379.db2.gz WZXOOKGXHIVDOX-UHFFFAOYSA-N 1 0 383.879 3.568 20 30 GHEDRO N#Cc1ccc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000136843041 838260874 /nfs/dbraw/zinc/26/08/74/838260874.db2.gz YOZVKUIOZGOSRU-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000541073717 838272415 /nfs/dbraw/zinc/27/24/15/838272415.db2.gz DXOHSGUJKKOIBL-HZPDHXFCSA-N 1 0 392.503 3.889 20 30 GHEDRO C[NH+](C)CCc1ccccc1NC(=O)NCCSCc1ccccc1C#N ZINC000275663900 838286556 /nfs/dbraw/zinc/28/65/56/838286556.db2.gz OFNXKYSMAQLOPW-UHFFFAOYSA-N 1 0 382.533 3.717 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000189587485 838292175 /nfs/dbraw/zinc/29/21/75/838292175.db2.gz XSUYDWBUMKQSPP-UHFFFAOYSA-N 1 0 387.527 3.960 20 30 GHEDRO Cc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728271316 838388494 /nfs/dbraw/zinc/38/84/94/838388494.db2.gz YOYKFKGZYXWUCV-UHFFFAOYSA-N 1 0 378.520 3.912 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000416152268 838639113 /nfs/dbraw/zinc/63/91/13/838639113.db2.gz VYFSCSRTNUSQOW-QFIPXVFZSA-N 1 0 377.488 3.621 20 30 GHEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000177690128 838662929 /nfs/dbraw/zinc/66/29/29/838662929.db2.gz DTRKWTBIPUNFTK-ZDUSSCGKSA-N 1 0 376.323 3.998 20 30 GHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000376794730 838740539 /nfs/dbraw/zinc/74/05/39/838740539.db2.gz QZJXREXFMBEENE-NXEWRWPSSA-N 1 0 385.508 3.502 20 30 GHEDRO COC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(Cl)c1F ZINC000376833037 838769283 /nfs/dbraw/zinc/76/92/83/838769283.db2.gz HAMAYIWBIXRRIA-GOSISDBHSA-N 1 0 388.874 3.692 20 30 GHEDRO CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CC[NH2+]CC1 ZINC000414743889 838803850 /nfs/dbraw/zinc/80/38/50/838803850.db2.gz VLOMAGCQNHULTD-UHFFFAOYSA-N 1 0 383.521 3.601 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376986864 838886845 /nfs/dbraw/zinc/88/68/45/838886845.db2.gz FPBSIOHNSQUAPG-UHFFFAOYSA-N 1 0 393.453 3.637 20 30 GHEDRO CC(C)Oc1cccc([C@H](O)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181766757 838890166 /nfs/dbraw/zinc/89/01/66/838890166.db2.gz SZOFMSMFZFHOPH-XMMPIXPASA-N 1 0 393.531 3.633 20 30 GHEDRO N#Cc1ccsc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000066785787 839165432 /nfs/dbraw/zinc/16/54/32/839165432.db2.gz UNLXFLLYHWEMKR-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000549174266 839167466 /nfs/dbraw/zinc/16/74/66/839167466.db2.gz ULXSFZWSEJNADC-BEFAXECRSA-N 1 0 388.427 3.773 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000378481885 839194542 /nfs/dbraw/zinc/19/45/42/839194542.db2.gz KXAHVVNHDRVLDQ-WIOPSUGQSA-N 1 0 385.511 3.565 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415099699 839204198 /nfs/dbraw/zinc/20/41/98/839204198.db2.gz HELBCARFDSDCNC-UHFFFAOYSA-N 1 0 391.924 3.664 20 30 GHEDRO CC(C)Oc1ccccc1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378482809 839204435 /nfs/dbraw/zinc/20/44/35/839204435.db2.gz NIGUUFYUWNYJQU-UHFFFAOYSA-N 1 0 391.515 3.691 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415115442 839225432 /nfs/dbraw/zinc/22/54/32/839225432.db2.gz DSQRFZCDOXTRRE-RTBURBONSA-N 1 0 378.476 3.837 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415118738 839232011 /nfs/dbraw/zinc/23/20/11/839232011.db2.gz HKRFJISFCUDBIY-NRFANRHFSA-N 1 0 378.476 3.647 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415121295 839241464 /nfs/dbraw/zinc/24/14/64/839241464.db2.gz JUNUFLQIHXPVMH-DLBZAZTESA-N 1 0 378.476 3.660 20 30 GHEDRO Cc1ccnc(OC2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000541119461 839254080 /nfs/dbraw/zinc/25/40/80/839254080.db2.gz FANPENGPPQNJBD-UHFFFAOYSA-N 1 0 398.894 3.787 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000378550055 839319055 /nfs/dbraw/zinc/31/90/55/839319055.db2.gz NOAWTFJHAAWIRJ-LJQANCHMSA-N 1 0 377.492 3.790 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610433572 839340610 /nfs/dbraw/zinc/34/06/10/839340610.db2.gz ULQPWTGYKUSGFO-NFBKMPQASA-N 1 0 390.531 3.528 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472740467 839349808 /nfs/dbraw/zinc/34/98/08/839349808.db2.gz QBOZZEIANOPMDC-IBGZPJMESA-N 1 0 378.476 3.695 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000046341559 839501602 /nfs/dbraw/zinc/50/16/02/839501602.db2.gz IBEITSRAMITSJH-FGTMMUONSA-N 1 0 393.487 3.573 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC000416698520 839546552 /nfs/dbraw/zinc/54/65/52/839546552.db2.gz WIRNGNRPAPGKBK-IBGZPJMESA-N 1 0 377.479 3.722 20 30 GHEDRO Cc1ncc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 ZINC000053145640 839554291 /nfs/dbraw/zinc/55/42/91/839554291.db2.gz AQQWOCQJUMXPRQ-LBPRGKRZSA-N 1 0 388.562 3.970 20 30 GHEDRO CC(C)(C#N)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458206190 844451031 /nfs/dbraw/zinc/45/10/31/844451031.db2.gz UWFYPWUNRNOWDM-LEWJYISDSA-N 1 0 379.479 3.850 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549275090 839751939 /nfs/dbraw/zinc/75/19/39/839751939.db2.gz UQBVIHWFFWGDHT-OAQYLSRUSA-N 1 0 393.535 3.595 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549274959 839752917 /nfs/dbraw/zinc/75/29/17/839752917.db2.gz SVRVFWXFMAHYLG-KRWDZBQOSA-N 1 0 387.503 3.664 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)F ZINC000415535878 839925645 /nfs/dbraw/zinc/92/56/45/839925645.db2.gz DQCZKXLTRIXZSF-ZJUUUORDSA-N 1 0 393.278 3.591 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000046943425 840094644 /nfs/dbraw/zinc/09/46/44/840094644.db2.gz AUAOXNJERUXHSE-UHFFFAOYSA-N 1 0 377.492 3.544 20 30 GHEDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512552785 844511086 /nfs/dbraw/zinc/51/10/86/844511086.db2.gz UORQSHDAFWNBFK-JOCHJYFZSA-N 1 0 391.515 3.875 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000513107211 844523248 /nfs/dbraw/zinc/52/32/48/844523248.db2.gz CZNGANYAYOPPMO-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)s1 ZINC000580945497 840491050 /nfs/dbraw/zinc/49/10/50/840491050.db2.gz JPOIFGDTMFAXRW-OCCSQVGLSA-N 1 0 395.322 3.667 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1)CC2 ZINC000584751068 840764597 /nfs/dbraw/zinc/76/45/97/840764597.db2.gz SZQGLYTUIQMPSI-QFBILLFUSA-N 1 0 385.389 3.959 20 30 GHEDRO N#CCCn1ncc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1-c1ccccc1 ZINC000584756812 840782853 /nfs/dbraw/zinc/78/28/53/840782853.db2.gz WJHCBLXFTQIAMS-FQEVSTJZSA-N 1 0 391.519 3.554 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cc(C(C)(C)C)n[nH]1 ZINC000581170964 840818090 /nfs/dbraw/zinc/81/80/90/840818090.db2.gz GEJZWDGFHHAZSB-UHFFFAOYSA-N 1 0 399.564 3.980 20 30 GHEDRO C=CCC1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCOCC1 ZINC000584776267 840824349 /nfs/dbraw/zinc/82/43/49/840824349.db2.gz QKIQHCAIFIVHMX-IBGZPJMESA-N 1 0 376.928 3.966 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000431949519 840916300 /nfs/dbraw/zinc/91/63/00/840916300.db2.gz IVBCFBMHWNNFCJ-UHFFFAOYSA-N 1 0 378.476 3.663 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c(C(F)(F)F)c1 ZINC000573528422 844599775 /nfs/dbraw/zinc/59/97/75/844599775.db2.gz HGFIXTJUJPWRQC-UHFFFAOYSA-N 1 0 397.404 3.658 20 30 GHEDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000513144489 844600673 /nfs/dbraw/zinc/60/06/73/844600673.db2.gz LHNLXERAECWDHX-IBGZPJMESA-N 1 0 387.277 3.889 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581338483 841111919 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C=CC[C@H]1CC[C@H]([NH2+]CCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000651708778 841405928 /nfs/dbraw/zinc/40/59/28/841405928.db2.gz AREGSEIWSLSHJH-PXNSSMCTSA-N 1 0 386.536 3.703 20 30 GHEDRO N#CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000661153837 841460610 /nfs/dbraw/zinc/46/06/10/841460610.db2.gz MNPUCQDEOOFACL-SFHVURJKSA-N 1 0 375.472 3.872 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610513489 841756875 /nfs/dbraw/zinc/75/68/75/841756875.db2.gz VNNXPVZORXJWCP-KRWDZBQOSA-N 1 0 379.464 3.551 20 30 GHEDRO Cn1ncc(C(F)(F)F)c1CNCc1cccc(F)c1OCC(F)(F)F ZINC000623600156 861237070 /nfs/dbraw/zinc/23/70/70/861237070.db2.gz ADJPBDSXCZTJBX-UHFFFAOYSA-N 1 0 385.283 3.809 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc(OC)c1O ZINC000600197573 861238493 /nfs/dbraw/zinc/23/84/93/861238493.db2.gz RWLCORMTOGGUOR-YJBOKZPZSA-N 1 0 375.509 3.929 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)cn2)c1 ZINC000603829205 861241333 /nfs/dbraw/zinc/24/13/33/861241333.db2.gz NUTCDTDUBJSAFX-UHFFFAOYSA-N 1 0 391.475 3.741 20 30 GHEDRO COc1cccc(C[N@H+](Cc2cc(C#N)ccc2OC)C2CCC(O)CC2)c1 ZINC000125476373 841834856 /nfs/dbraw/zinc/83/48/56/841834856.db2.gz NURXNVZLYNKDEI-UHFFFAOYSA-N 1 0 380.488 3.881 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000276460778 841974433 /nfs/dbraw/zinc/97/44/33/841974433.db2.gz LGNKQQZXIUKMMF-LJQANCHMSA-N 1 0 383.471 3.505 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 ZINC000181956885 841984113 /nfs/dbraw/zinc/98/41/13/841984113.db2.gz WBLARDIJUNSELJ-JBLFJGJOSA-N 1 0 387.524 3.674 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000303496063 842007619 /nfs/dbraw/zinc/00/76/19/842007619.db2.gz UBNSXTMPZSTOAI-UHFFFAOYSA-N 1 0 379.504 3.669 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000893485383 842022786 /nfs/dbraw/zinc/02/27/86/842022786.db2.gz XAMPQSDJKJKHFY-VQIMIIECSA-N 1 0 382.533 3.814 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCc2cccc(C(N)=O)c2)c1 ZINC000066906026 842086506 /nfs/dbraw/zinc/08/65/06/842086506.db2.gz ZFAZNJALYLEFHG-UHFFFAOYSA-N 1 0 385.467 3.568 20 30 GHEDRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329323830 861286676 /nfs/dbraw/zinc/28/66/76/861286676.db2.gz SEOYJLISUHFGMA-KBPBESRZSA-N 1 0 398.334 3.773 20 30 GHEDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000585764905 842275956 /nfs/dbraw/zinc/27/59/56/842275956.db2.gz ZRVZGAFCGCVLCD-LEWJYISDSA-N 1 0 376.504 3.758 20 30 GHEDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1Oc1ccccc1 ZINC000585764906 842276120 /nfs/dbraw/zinc/27/61/20/842276120.db2.gz ZRVZGAFCGCVLCD-NHCUHLMSSA-N 1 0 376.504 3.758 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000157962910 842289315 /nfs/dbraw/zinc/28/93/15/842289315.db2.gz WOLQNJGOZZAEDE-SFHVURJKSA-N 1 0 383.517 3.730 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)nc1 ZINC000585794477 842313602 /nfs/dbraw/zinc/31/36/02/842313602.db2.gz ZMKBHEQMMSIAFS-XMSQKQJNSA-N 1 0 376.504 3.680 20 30 GHEDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000512047392 842320641 /nfs/dbraw/zinc/32/06/41/842320641.db2.gz ZRTPIVBPLZIHHO-QHCPKHFHSA-N 1 0 391.515 3.970 20 30 GHEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)C1=O ZINC000328828938 842372671 /nfs/dbraw/zinc/37/26/71/842372671.db2.gz QTYNFDSEUDVQRA-IEBWSBKVSA-N 1 0 386.540 3.549 20 30 GHEDRO N#Cc1ccc(NC(=O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1Cl ZINC000603875843 861305606 /nfs/dbraw/zinc/30/56/06/861305606.db2.gz VDBRENAISQCSLE-UHFFFAOYSA-N 1 0 388.943 3.738 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526113 861311318 /nfs/dbraw/zinc/31/13/18/861311318.db2.gz FCANLFQITIXJPB-GOEBONIOSA-N 1 0 383.355 3.916 20 30 GHEDRO C[N@H+](CCNC(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000328840253 842471144 /nfs/dbraw/zinc/47/11/44/842471144.db2.gz ODAWIPNEIPTPBF-MSOLQXFVSA-N 1 0 399.457 3.602 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050090956 842512482 /nfs/dbraw/zinc/51/24/82/842512482.db2.gz VTYLLHYECMUSQE-MRXNPFEDSA-N 1 0 384.505 3.662 20 30 GHEDRO O[C@H]([C@H]1CCN(Cc2cccc(F)c2OCC(F)(F)F)C1)C(F)(F)F ZINC000628301453 842571714 /nfs/dbraw/zinc/57/17/14/842571714.db2.gz ULSOFSZYAZWQBP-GXFFZTMASA-N 1 0 375.284 3.512 20 30 GHEDRO O[C@H]([C@@H]1CCN(Cc2cccc(F)c2OCC(F)(F)F)C1)C(F)(F)F ZINC000628301455 842572124 /nfs/dbraw/zinc/57/21/24/842572124.db2.gz ULSOFSZYAZWQBP-ZWNOBZJWSA-N 1 0 375.284 3.512 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000652562337 842742899 /nfs/dbraw/zinc/74/28/99/842742899.db2.gz YMQGOYNDAJFCTH-CTAFRAEOSA-N 1 0 395.551 3.803 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000549636901 842838182 /nfs/dbraw/zinc/83/81/82/842838182.db2.gz HVPJTEDQCIHURL-UHFFFAOYSA-N 1 0 397.567 3.739 20 30 GHEDRO COC1CC[NH+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000610571855 842839607 /nfs/dbraw/zinc/83/96/07/842839607.db2.gz DDTYSUPOWUYUDG-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)cc1 ZINC000603901187 861356188 /nfs/dbraw/zinc/35/61/88/861356188.db2.gz CYJGAUKWKYMSDK-LXBDKUERSA-N 1 0 379.504 3.817 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2cccs2)n1 ZINC000093964402 842933660 /nfs/dbraw/zinc/93/36/60/842933660.db2.gz CXHJOOZGKCNOOP-KRWDZBQOSA-N 1 0 395.507 3.918 20 30 GHEDRO O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329391722 861367897 /nfs/dbraw/zinc/36/78/97/861367897.db2.gz VLVCFYGMQIXFFD-YJBOKZPZSA-N 1 0 377.448 3.652 20 30 GHEDRO COCC[N@H+](CCc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279334883 843007835 /nfs/dbraw/zinc/00/78/35/843007835.db2.gz DGJOYQHKBVRANH-UHFFFAOYSA-N 1 0 389.503 3.550 20 30 GHEDRO C[C@H]([NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000471864227 843009739 /nfs/dbraw/zinc/00/97/39/843009739.db2.gz YREMBTYNSZCPJY-SXLOBPIMSA-N 1 0 383.536 3.691 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4c[nH]cn4)CC3)sc2C1 ZINC000610583357 843117887 /nfs/dbraw/zinc/11/78/87/843117887.db2.gz VSTAREFGXCXCRQ-AWEZNQCLSA-N 1 0 397.548 3.676 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c2ccccc21 ZINC000662314324 843129742 /nfs/dbraw/zinc/12/97/42/843129742.db2.gz PTZBUTFECBWRIJ-ZRZAMGCNSA-N 1 0 377.488 3.630 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000512233218 843165456 /nfs/dbraw/zinc/16/54/56/843165456.db2.gz GZADLJDOHXELFT-SFHVURJKSA-N 1 0 388.393 3.973 20 30 GHEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610585913 843200308 /nfs/dbraw/zinc/20/03/08/843200308.db2.gz ZKEDUSNVXWBSNF-LADGPHEKSA-N 1 0 378.516 3.837 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000609502207 843255097 /nfs/dbraw/zinc/25/50/97/843255097.db2.gz KSIWCKCDBNVZGR-UHFFFAOYSA-N 1 0 383.536 3.832 20 30 GHEDRO CC(C)N(C(=O)Cc1ccccc1CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843695599 843289093 /nfs/dbraw/zinc/28/90/93/843289093.db2.gz GKEBUMGUWKPTGS-QHCPKHFHSA-N 1 0 375.516 3.807 20 30 GHEDRO [NH2+]=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)Nc1cccc(Oc2ccccc2)c1 ZINC000261602091 843307076 /nfs/dbraw/zinc/30/70/76/843307076.db2.gz BZPOLIIHXGZGLE-LAUBAEHRSA-N 1 0 395.503 3.773 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000548417102 843336783 /nfs/dbraw/zinc/33/67/83/843336783.db2.gz UKTDQAVULZMTMZ-LIRRHRJNSA-N 1 0 389.833 3.913 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000510740823 843388180 /nfs/dbraw/zinc/38/81/80/843388180.db2.gz XPXRYXDHPHAKPB-IBGZPJMESA-N 1 0 378.476 3.743 20 30 GHEDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662556323 843400495 /nfs/dbraw/zinc/40/04/95/843400495.db2.gz PDEKOCRDQRUEET-VXGBXAGGSA-N 1 0 386.311 3.976 20 30 GHEDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662556320 843401197 /nfs/dbraw/zinc/40/11/97/843401197.db2.gz PDEKOCRDQRUEET-NEPJUHHUSA-N 1 0 386.311 3.976 20 30 GHEDRO COC(=O)[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000512331443 843421381 /nfs/dbraw/zinc/42/13/81/843421381.db2.gz OKPCGVZZVBYRLY-QTGUNEKASA-N 1 0 391.515 3.663 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662612316 843432091 /nfs/dbraw/zinc/43/20/91/843432091.db2.gz OHWXWTLFBOTJIC-QFIPXVFZSA-N 1 0 385.508 3.851 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000329434511 861419838 /nfs/dbraw/zinc/41/98/38/861419838.db2.gz LFFPPWGJQBBVOC-CQSZACIVSA-N 1 0 397.313 3.941 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CCC[NH2+]1 ZINC000662683794 843517483 /nfs/dbraw/zinc/51/74/83/843517483.db2.gz UCINMCIAFWYUHK-UZUQRXQVSA-N 1 0 395.503 3.545 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000247468818 843538070 /nfs/dbraw/zinc/53/80/70/843538070.db2.gz JBQSZTDRPRUZKG-HKUYNNGSSA-N 1 0 379.508 3.695 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1OCC ZINC000644841706 843577688 /nfs/dbraw/zinc/57/76/88/843577688.db2.gz RWIVUCFTMPXIAB-NVXWUHKLSA-N 1 0 395.341 3.549 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000500528131 843593020 /nfs/dbraw/zinc/59/30/20/843593020.db2.gz SOEWBQARILCKTP-YADHBBJMSA-N 1 0 395.551 3.997 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[NH2+]1 ZINC000418597651 843654779 /nfs/dbraw/zinc/65/47/79/843654779.db2.gz HUQOCFQUYZSCRZ-IERDGZPVSA-N 1 0 380.467 3.550 20 30 GHEDRO CCN1CC[NH+](C[C@H](C)CNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000568903312 843696375 /nfs/dbraw/zinc/69/63/75/843696375.db2.gz CQUDHMSMNOJHLK-MRXNPFEDSA-N 1 0 385.943 3.754 20 30 GHEDRO C=CCSCC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510887863 843717277 /nfs/dbraw/zinc/71/72/77/843717277.db2.gz RINLYIDDHYJIJL-UHFFFAOYSA-N 1 0 382.957 3.655 20 30 GHEDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000891914773 843792199 /nfs/dbraw/zinc/79/21/99/843792199.db2.gz BKTMNMQBGUKACJ-FGZHOGPDSA-N 1 0 392.503 3.786 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000603963426 861457494 /nfs/dbraw/zinc/45/74/94/861457494.db2.gz JVSHDNHEWZHWAF-UHFFFAOYSA-N 1 0 399.922 3.961 20 30 GHEDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000432797753 843860760 /nfs/dbraw/zinc/86/07/60/843860760.db2.gz GLLLRHLSXVROFZ-UHFFFAOYSA-N 1 0 391.515 3.875 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000731111623 861471609 /nfs/dbraw/zinc/47/16/09/861471609.db2.gz DNCQADATWKWBLV-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000731112950 861473220 /nfs/dbraw/zinc/47/32/20/861473220.db2.gz GEKNYYONLWQIPN-JOCHJYFZSA-N 1 0 377.488 3.966 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599677961 861475831 /nfs/dbraw/zinc/47/58/31/861475831.db2.gz HXLBKPSHAUJYOY-QGZVFWFLSA-N 1 0 392.286 3.907 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCOC(C)(C)C)sc2C1 ZINC000610859993 844705591 /nfs/dbraw/zinc/70/55/91/844705591.db2.gz ZRNKKJJDOHHVJG-CQSZACIVSA-N 1 0 377.554 3.820 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cn1 ZINC000599695630 861502380 /nfs/dbraw/zinc/50/23/80/861502380.db2.gz DRLNYHICNKPKKP-YCRPNKLZSA-N 1 0 396.466 3.605 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508807304 844788161 /nfs/dbraw/zinc/78/81/61/844788161.db2.gz BQMSSKZAPXVYEY-QZTJIDSGSA-N 1 0 399.514 3.808 20 30 GHEDRO N#CCCCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458291708 844794915 /nfs/dbraw/zinc/79/49/15/844794915.db2.gz NWDFPCSJVIYDCX-FCHUYYIVSA-N 1 0 394.494 3.787 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000512629507 844834238 /nfs/dbraw/zinc/83/42/38/844834238.db2.gz JBBPCIHATBWCKZ-GJZGRUSLSA-N 1 0 381.451 3.767 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000614171349 844849118 /nfs/dbraw/zinc/84/91/18/844849118.db2.gz RPTJJYRSQYLLKJ-UHFFFAOYSA-N 1 0 377.517 3.815 20 30 GHEDRO COc1cccc(C[N@H+](Cc2ccc(OCC#N)cc2)C2CCC(O)CC2)c1 ZINC000731212434 861505978 /nfs/dbraw/zinc/50/59/78/861505978.db2.gz LRWFYJKAMREKAU-UHFFFAOYSA-N 1 0 380.488 3.903 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(C#N)cc1F ZINC000512642614 844870305 /nfs/dbraw/zinc/87/03/05/844870305.db2.gz QZKDHBBUJALIMT-HNNXBMFYSA-N 1 0 382.435 3.825 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000433012021 844915356 /nfs/dbraw/zinc/91/53/56/844915356.db2.gz QSEKLKHHXMALGC-VXKWHMMOSA-N 1 0 395.478 3.750 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccccc1 ZINC000433012686 844981952 /nfs/dbraw/zinc/98/19/52/844981952.db2.gz URILSBNSKLXFLN-INIZCTEOSA-N 1 0 387.281 3.807 20 30 GHEDRO Cc1cccc2c(CCC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC000151146308 844988768 /nfs/dbraw/zinc/98/87/68/844988768.db2.gz UHKZRROKCBLSTJ-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000247459348 845113730 /nfs/dbraw/zinc/11/37/30/845113730.db2.gz QWAPNFHNRNAZJB-VGOFRKELSA-N 1 0 377.488 3.549 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000247459339 845114155 /nfs/dbraw/zinc/11/41/55/845114155.db2.gz QWAPNFHNRNAZJB-HTAPYJJXSA-N 1 0 377.488 3.549 20 30 GHEDRO Cc1nnc(CNC(N[C@@H](C)c2cc3ccccc3o2)=[NH+]C2CCCC2)n1C ZINC000261939293 845179669 /nfs/dbraw/zinc/17/96/69/845179669.db2.gz DGIHMSWHQAGRIC-AWEZNQCLSA-N 1 0 380.496 3.609 20 30 GHEDRO C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000255438249 845477876 /nfs/dbraw/zinc/47/78/76/845477876.db2.gz MKKWMWUOQLESNH-SDXDJHTJSA-N 1 0 377.463 3.835 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2ccc(C)o2)N2CCOCC2)c(O)c1 ZINC000255439710 845494604 /nfs/dbraw/zinc/49/46/04/845494604.db2.gz GDTZKWSGFQWRBP-QFVADWCQSA-N 1 0 385.508 3.632 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H](C)c1cccc2ccccc21 ZINC000262823619 845530688 /nfs/dbraw/zinc/53/06/88/845530688.db2.gz XPOLFTWOFONMQY-AEFFLSMTSA-N 1 0 390.535 3.618 20 30 GHEDRO CC(=O)NC1CCC(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000329523022 861587511 /nfs/dbraw/zinc/58/75/11/861587511.db2.gz RKWCYSQQQIDZQM-UHFFFAOYSA-N 1 0 378.561 3.824 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000150959158 845630424 /nfs/dbraw/zinc/63/04/24/845630424.db2.gz UTUWROBIEWQZEM-UHFFFAOYSA-N 1 0 380.370 3.766 20 30 GHEDRO COC(=O)C1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000731360890 861588358 /nfs/dbraw/zinc/58/83/58/861588358.db2.gz UGIFPXCHLAZTGR-UHFFFAOYSA-N 1 0 378.472 3.959 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cncc(-c3ccc(OC)cc3C)c2)CC1 ZINC000625322562 861599300 /nfs/dbraw/zinc/59/93/00/861599300.db2.gz GUMJHSNWXSFCRJ-UHFFFAOYSA-N 1 0 379.504 3.836 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(c3ccccc3)CCOCC2)cc1Cl ZINC000563197569 845799122 /nfs/dbraw/zinc/79/91/22/845799122.db2.gz UFDXLXWQDTXCAZ-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCC[C@H]1O ZINC000481540211 861634088 /nfs/dbraw/zinc/63/40/88/861634088.db2.gz ICWDNDIQXLMXIX-MAUKXSAKSA-N 1 0 389.565 3.700 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)cc1F ZINC000421363516 846176009 /nfs/dbraw/zinc/17/60/09/846176009.db2.gz LTRFQISBUYPCMV-OAHLLOKOSA-N 1 0 382.357 3.537 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000513665195 846231797 /nfs/dbraw/zinc/23/17/97/846231797.db2.gz CNUDRHMNHVFSBM-LJQANCHMSA-N 1 0 391.490 3.709 20 30 GHEDRO Cc1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000731486262 861656684 /nfs/dbraw/zinc/65/66/84/861656684.db2.gz SAHKNMFXFWAFEC-UHFFFAOYSA-N 1 0 384.524 3.597 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000551425633 846370756 /nfs/dbraw/zinc/37/07/56/846370756.db2.gz JOCPJESKFAWEJI-UHFFFAOYSA-N 1 0 389.524 3.910 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000280457184 846408611 /nfs/dbraw/zinc/40/86/11/846408611.db2.gz GUDBKURRPFJYMK-UHFFFAOYSA-N 1 0 375.669 3.622 20 30 GHEDRO C=C(C)[C@@H]([NH2+]CCc1c(C)nc2sccn2c1=O)c1ccc(F)c(F)c1 ZINC000509141872 861680307 /nfs/dbraw/zinc/68/03/07/861680307.db2.gz RYJKZGQTGRZVNB-QGZVFWFLSA-N 1 0 375.444 3.792 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[NH+](C)C)c1 ZINC000419402720 846524139 /nfs/dbraw/zinc/52/41/39/846524139.db2.gz PDBZCDZEKIMJIX-FGZHOGPDSA-N 1 0 392.503 3.546 20 30 GHEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000375674959 846539697 /nfs/dbraw/zinc/53/96/97/846539697.db2.gz CIXOWSUEULKNGM-DLBZAZTESA-N 1 0 394.519 3.721 20 30 GHEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000502856390 846552174 /nfs/dbraw/zinc/55/21/74/846552174.db2.gz NQJXCJYLLRRLES-UWVAXJGDSA-N 1 0 398.551 3.524 20 30 GHEDRO C[C@@H]([NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)NC1(C#N)CCC1 ZINC000582174586 846588191 /nfs/dbraw/zinc/58/81/91/846588191.db2.gz KLEGQSSVBFGLBP-WBMJQRKESA-N 1 0 390.325 3.613 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3C)c(C)c2)CC1 ZINC000178551974 846631794 /nfs/dbraw/zinc/63/17/94/846631794.db2.gz GTUIJIVCMRYUQY-UHFFFAOYSA-N 1 0 377.492 3.961 20 30 GHEDRO C[NH+]=C(NCc1cnc(C)s1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000261808833 846663036 /nfs/dbraw/zinc/66/30/36/846663036.db2.gz SHIMZIHGBSASCG-MRXNPFEDSA-N 1 0 398.454 3.619 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000582269097 846758350 /nfs/dbraw/zinc/75/83/50/846758350.db2.gz PVNLMZWDLJQNDD-UHFFFAOYSA-N 1 0 399.498 3.984 20 30 GHEDRO COC(=O)c1ccc(Cl)c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000511099950 846887770 /nfs/dbraw/zinc/88/77/70/846887770.db2.gz GYEBVAQQSKNECO-UHFFFAOYSA-N 1 0 397.906 3.706 20 30 GHEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000271733543 846905776 /nfs/dbraw/zinc/90/57/76/846905776.db2.gz NTUMJYVURAAYMV-WAIKUNEKSA-N 1 0 377.488 3.821 20 30 GHEDRO COc1cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(F)cc1C#N ZINC000599820771 861731526 /nfs/dbraw/zinc/73/15/26/861731526.db2.gz ZWFFKJGGPJCDMS-UHFFFAOYSA-N 1 0 382.439 3.623 20 30 GHEDRO C[N@H+]1CC=C(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000271883155 846942507 /nfs/dbraw/zinc/94/25/07/846942507.db2.gz CMADHWASLPTPKZ-UHFFFAOYSA-N 1 0 390.487 3.715 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)C(C)C)CC1 ZINC000555751066 861736480 /nfs/dbraw/zinc/73/64/80/861736480.db2.gz QNXDBXLKTICSRT-PGRDOPGGSA-N 1 0 399.579 3.780 20 30 GHEDRO Cc1cc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)nn1CCC#N ZINC000272094203 846990035 /nfs/dbraw/zinc/99/00/35/846990035.db2.gz NRFLFCIXIOTMFX-GOSISDBHSA-N 1 0 394.523 3.890 20 30 GHEDRO CCCn1nccc1C1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000501576160 847032009 /nfs/dbraw/zinc/03/20/09/847032009.db2.gz SAOGUWCFKQODPM-FVRICEFQSA-N 1 0 399.583 3.792 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000478324306 847049135 /nfs/dbraw/zinc/04/91/35/847049135.db2.gz OIXQYMNLMKVIBC-GOSISDBHSA-N 1 0 379.552 3.949 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000272572846 847114100 /nfs/dbraw/zinc/11/41/00/847114100.db2.gz CRKMASCHIDZHTQ-NRFANRHFSA-N 1 0 388.556 3.518 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1OCCCC#N ZINC000152484882 847177028 /nfs/dbraw/zinc/17/70/28/847177028.db2.gz SVNBOZOPDIHKOD-FQEVSTJZSA-N 1 0 399.535 3.649 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000178577183 847193748 /nfs/dbraw/zinc/19/37/48/847193748.db2.gz JGLSATPGICJAKD-IAGOWNOFSA-N 1 0 392.503 3.798 20 30 GHEDRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=[NH2+])Nc1cc(F)ccc1F)O[C@H](C)C2 ZINC000262300826 861763579 /nfs/dbraw/zinc/76/35/79/861763579.db2.gz QAZHPSCDDAOLQS-WHCBVINPSA-N 1 0 387.430 3.970 20 30 GHEDRO CC1(C#N)CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272995695 847223376 /nfs/dbraw/zinc/22/33/76/847223376.db2.gz NSSGWSYHUZNPDM-LJQANCHMSA-N 1 0 379.426 3.593 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COc1cccc(C(C)=O)c1)c1ccc(F)c(F)c1 ZINC000187762419 847291654 /nfs/dbraw/zinc/29/16/54/847291654.db2.gz BABBWZVKKNCOTE-UTKZUKDTSA-N 1 0 375.415 3.814 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)nc1 ZINC000329614813 861777387 /nfs/dbraw/zinc/77/73/87/861777387.db2.gz FGFPDMFRNCVBRV-MSOLQXFVSA-N 1 0 386.540 3.727 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000501914919 847331322 /nfs/dbraw/zinc/33/13/22/847331322.db2.gz KYUGNPGZEHLZLK-UHFFFAOYSA-N 1 0 375.561 3.674 20 30 GHEDRO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000499350643 861786966 /nfs/dbraw/zinc/78/69/66/861786966.db2.gz KNOUPHNCTMOMHM-LJQANCHMSA-N 1 0 379.504 3.815 20 30 GHEDRO CCC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1 ZINC000502056141 847422026 /nfs/dbraw/zinc/42/20/26/847422026.db2.gz PTUFBXJKYUXBGV-UHFFFAOYSA-N 1 0 375.472 3.847 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420917616 847538527 /nfs/dbraw/zinc/53/85/27/847538527.db2.gz SYLQDSOLTDHRTL-RPWUZVMVSA-N 1 0 375.516 3.791 20 30 GHEDRO CCN(C(=O)Nc1cc(C#N)ccc1OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009536 861814032 /nfs/dbraw/zinc/81/40/32/861814032.db2.gz KEOISXWBMAMDJS-LJQANCHMSA-N 1 0 378.476 3.695 20 30 GHEDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000503460819 847714885 /nfs/dbraw/zinc/71/48/85/847714885.db2.gz KUKJEEFBFMIQRB-TXPKVOOTSA-N 1 0 375.538 3.594 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000158694466 847935026 /nfs/dbraw/zinc/93/50/26/847935026.db2.gz DCTPYXNBHJCILV-FQEVSTJZSA-N 1 0 375.472 3.969 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)CC1 ZINC000048804193 848282363 /nfs/dbraw/zinc/28/23/63/848282363.db2.gz UKCIHFUGVNGSPR-UHFFFAOYSA-N 1 0 376.504 3.790 20 30 GHEDRO C[N@H+](CCCOc1cccc(C#N)c1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001167619309 848404206 /nfs/dbraw/zinc/40/42/06/848404206.db2.gz KESJXVSGWRRRBU-UHFFFAOYSA-N 1 0 375.513 3.810 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)COc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000731833910 861915259 /nfs/dbraw/zinc/91/52/59/861915259.db2.gz KWLJSDVOFLPLNM-GOSISDBHSA-N 1 0 377.488 3.717 20 30 GHEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1cccs1 ZINC000121088330 848691718 /nfs/dbraw/zinc/69/17/18/848691718.db2.gz ONGBJGLHAGZOTN-IBGZPJMESA-N 1 0 379.533 3.918 20 30 GHEDRO CSc1ccc2ncnc(N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000583136135 849152227 /nfs/dbraw/zinc/15/22/27/849152227.db2.gz IDCJQLADURIMKA-UHFFFAOYSA-N 1 0 377.517 3.792 20 30 GHEDRO CSc1nc(CN2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141929650 862005149 /nfs/dbraw/zinc/00/51/49/862005149.db2.gz ZUJNQXJVRJRKOM-IBGZPJMESA-N 1 0 376.526 3.554 20 30 GHEDRO C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000522535996 862049836 /nfs/dbraw/zinc/04/98/36/862049836.db2.gz PPEMWXBILVWESJ-DLBZAZTESA-N 1 0 381.476 3.723 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000583410518 849840014 /nfs/dbraw/zinc/84/00/14/849840014.db2.gz RJIHVZDGNRIQJN-FQEVSTJZSA-N 1 0 392.503 3.991 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000504067055 849861585 /nfs/dbraw/zinc/86/15/85/849861585.db2.gz FLJREUHEHBYXKK-GHTZIAJQSA-N 1 0 391.515 3.695 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCSC(C)(C)C3)sc2C1 ZINC000434909835 849892567 /nfs/dbraw/zinc/89/25/67/849892567.db2.gz QVFAJEYLMWOWKR-CYBMUJFWSA-N 1 0 377.579 3.901 20 30 GHEDRO COc1ccccc1CCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000505581652 849963666 /nfs/dbraw/zinc/96/36/66/849963666.db2.gz OMJOCJBKWNBOAW-UHFFFAOYSA-N 1 0 392.459 3.570 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000425270033 850036453 /nfs/dbraw/zinc/03/64/53/850036453.db2.gz SFEXCZBBDBUKRU-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000600472692 862087835 /nfs/dbraw/zinc/08/78/35/862087835.db2.gz OIHDUADRGOLQKI-SFHVURJKSA-N 1 0 394.277 3.966 20 30 GHEDRO N#Cc1cc(F)c(C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)c(F)c1 ZINC000908411328 850084897 /nfs/dbraw/zinc/08/48/97/850084897.db2.gz MJMNWJUANXKSFK-UHFFFAOYSA-N 1 0 382.370 3.826 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000486812633 850118765 /nfs/dbraw/zinc/11/87/65/850118765.db2.gz XOUNWBYGXASJIT-AVRDEDQJSA-N 1 0 391.515 3.880 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000514660314 850118937 /nfs/dbraw/zinc/11/89/37/850118937.db2.gz UDYZUFXBQHKUSF-SFHVURJKSA-N 1 0 386.503 3.547 20 30 GHEDRO Cc1sc(NC(=O)CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000426458024 850248562 /nfs/dbraw/zinc/24/85/62/850248562.db2.gz HJWZEPPRYUJPFO-MRXNPFEDSA-N 1 0 396.560 3.772 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1OC ZINC000439786863 850428975 /nfs/dbraw/zinc/42/89/75/850428975.db2.gz RXVYPJQAZFTVOZ-SHTZXODSSA-N 1 0 384.314 3.758 20 30 GHEDRO C=CC[C@@H](CO)NC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000514889749 850436232 /nfs/dbraw/zinc/43/62/32/850436232.db2.gz BXVGRAJUJXOJCL-LEWJYISDSA-N 1 0 389.540 3.525 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)COc1ccccc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000518984457 850454039 /nfs/dbraw/zinc/45/40/39/850454039.db2.gz WTEGXQXIVGCBGG-RXVVDRJESA-N 1 0 379.504 3.819 20 30 GHEDRO C=CCCc1ccccc1NC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000505017525 850525225 /nfs/dbraw/zinc/52/52/25/850525225.db2.gz XETIDQIHAZIWOU-IBGZPJMESA-N 1 0 383.492 3.751 20 30 GHEDRO C=CCCn1cc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)nn1 ZINC000424718380 850641784 /nfs/dbraw/zinc/64/17/84/850641784.db2.gz IOADFYFGAJLULX-UHFFFAOYSA-N 1 0 381.524 3.549 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[NH+](C)C)c1 ZINC000435566757 850650039 /nfs/dbraw/zinc/65/00/39/850650039.db2.gz OUIDYPBDMYNFIW-HXUWFJFHSA-N 1 0 396.491 3.778 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC000440001995 850663804 /nfs/dbraw/zinc/66/38/04/850663804.db2.gz ITESQMYIMXVDGW-XKRYSZRTSA-N 1 0 391.600 3.595 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccccc2)cc1 ZINC000028605950 850666088 /nfs/dbraw/zinc/66/60/88/850666088.db2.gz BIQPCSLMGNFEGD-LJQANCHMSA-O 1 0 397.564 3.979 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000487315228 850686540 /nfs/dbraw/zinc/68/65/40/850686540.db2.gz PYTDJCXLILNCOE-RXVVDRJESA-N 1 0 394.515 3.900 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435751119 850815503 /nfs/dbraw/zinc/81/55/03/850815503.db2.gz PQDAFUMOFGHHKH-RDTXWAMCSA-N 1 0 376.298 3.910 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000487744941 850878739 /nfs/dbraw/zinc/87/87/39/850878739.db2.gz VEQGAFJBDPDLJC-ZJOUEHCJSA-N 1 0 385.552 3.531 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487936105 851005726 /nfs/dbraw/zinc/00/57/26/851005726.db2.gz PRAWZIVMCWDIHG-OLZOCXBDSA-N 1 0 379.302 3.563 20 30 GHEDRO CC(C)C[C@H](CNC(=O)COc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000732293895 862195490 /nfs/dbraw/zinc/19/54/90/862195490.db2.gz SCTVXTIZVYHGBZ-GHTZIAJQSA-N 1 0 379.504 3.819 20 30 GHEDRO N#C[C@@H]1CN(Cc2ccccc2Oc2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513976423 851068963 /nfs/dbraw/zinc/06/89/63/851068963.db2.gz WSXLPIGNQKNLJL-KOSHJBKYSA-N 1 0 396.450 3.719 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1OCC[NH+](C)C ZINC000519491472 851131944 /nfs/dbraw/zinc/13/19/44/851131944.db2.gz WETMIDJZBQFAJX-UHFFFAOYSA-N 1 0 378.451 3.528 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000425467585 851211056 /nfs/dbraw/zinc/21/10/56/851211056.db2.gz CSNYLXUYJKEOPM-INIZCTEOSA-N 1 0 391.537 3.925 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+]1CCC(C)CC1 ZINC000604475021 862217636 /nfs/dbraw/zinc/21/76/36/862217636.db2.gz MBGVJVJAQHUKDW-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO [NH2+]=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000262020160 851243712 /nfs/dbraw/zinc/24/37/12/851243712.db2.gz XQOPMOQWVBBJKW-UWJYYQICSA-N 1 0 381.476 3.742 20 30 GHEDRO C[NH+]=C(NCc1ccc(-c2ccc(OC)cc2)s1)N1CC[C@]2(CCOC2)C1 ZINC000262025519 851276669 /nfs/dbraw/zinc/27/66/69/851276669.db2.gz ZQCNUHWGBJNJTR-NRFANRHFSA-N 1 0 385.533 3.612 20 30 GHEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000604483162 862225423 /nfs/dbraw/zinc/22/54/23/862225423.db2.gz BKCCKMKBEGMVEL-GOSISDBHSA-N 1 0 388.515 3.802 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000425501400 851382739 /nfs/dbraw/zinc/38/27/39/851382739.db2.gz FQGOJVOOOUGADL-HMFYCAOWSA-N 1 0 376.504 3.781 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C(=O)NC)ccc1Cl)C(C)C ZINC000048503190 851388863 /nfs/dbraw/zinc/38/88/63/851388863.db2.gz MDBJYRDAEBFSGQ-GOSISDBHSA-N 1 0 392.931 3.520 20 30 GHEDRO CC[N@H+](CCc1cccs1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000488322041 851408403 /nfs/dbraw/zinc/40/84/03/851408403.db2.gz IIVLOCJKCIDHOR-QGZVFWFLSA-N 1 0 385.533 3.956 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(C4(C#N)CCCC4)n3)cc2Cl)CC1 ZINC000329726549 862241545 /nfs/dbraw/zinc/24/15/45/862241545.db2.gz OOGZDWMVGIOQTK-UHFFFAOYSA-N 1 0 385.899 3.867 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521741 862244222 /nfs/dbraw/zinc/24/42/22/862244222.db2.gz WUGWBWPSSZLHRX-AGHHOFFYSA-N 1 0 377.488 3.985 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)CNc3ccc(C#N)cc3)ccc21 ZINC000604523514 862245556 /nfs/dbraw/zinc/24/55/56/862245556.db2.gz SGMHHIPODUQXCK-UHFFFAOYSA-N 1 0 389.503 3.905 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000488498466 851579691 /nfs/dbraw/zinc/57/96/91/851579691.db2.gz HGIDMGITKTXYLW-PGRDOPGGSA-N 1 0 393.556 3.818 20 30 GHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H](C)C1 ZINC000488715985 851720555 /nfs/dbraw/zinc/72/05/55/851720555.db2.gz JAICFLSUAGGCJJ-HOIFWPIMSA-N 1 0 377.536 3.650 20 30 GHEDRO Cc1cc(Br)cc2c(C(=O)N(CCC#N)CCC[NH+](C)C)coc21 ZINC000473713480 851746160 /nfs/dbraw/zinc/74/61/60/851746160.db2.gz HISKXPWWIAMGDP-UHFFFAOYSA-N 1 0 392.297 3.811 20 30 GHEDRO C[C@H]1CCCN(c2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccn2)C1 ZINC000329757207 862295792 /nfs/dbraw/zinc/29/57/92/862295792.db2.gz ZFVBNGPXRLQJQJ-SFHVURJKSA-N 1 0 393.535 3.934 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccnc(Cl)c3Cl)CC2)c1 ZINC000911921031 851953238 /nfs/dbraw/zinc/95/32/38/851953238.db2.gz CQTMVJMPIKLTSO-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000329764167 862302715 /nfs/dbraw/zinc/30/27/15/862302715.db2.gz VKZLGKFNPMSKEO-XOQIYWSQSA-N 1 0 385.552 3.607 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H](c2ccccc2F)C1 ZINC000550212321 851962255 /nfs/dbraw/zinc/96/22/55/851962255.db2.gz YTGUPNDPFQDVMQ-ZWKOTPCHSA-N 1 0 395.478 3.959 20 30 GHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000732466853 862305255 /nfs/dbraw/zinc/30/52/55/862305255.db2.gz QIHRNFAUQADAAT-VXKWHMMOSA-N 1 0 392.503 3.574 20 30 GHEDRO C=CCc1cc(C[NH2+]C2(c3ccc(OC)cc3)CCOCC2)cc(OC)c1O ZINC000608059943 852093057 /nfs/dbraw/zinc/09/30/57/852093057.db2.gz OKYZIXBYPKRIOD-UHFFFAOYSA-N 1 0 383.488 3.933 20 30 GHEDRO CC(C)c1ccc(CN2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000028881943 852205657 /nfs/dbraw/zinc/20/56/57/852205657.db2.gz GFUVQZOSRFKGOB-UHFFFAOYSA-N 1 0 390.531 3.828 20 30 GHEDRO CC1(C)CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H]1[C@@H]1CCCO1 ZINC000329806768 862333307 /nfs/dbraw/zinc/33/33/07/862333307.db2.gz BFSVYOBXMUJZHG-MBMGVGJDSA-N 1 0 389.540 3.715 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1CCCNC(NC(C)(C)C)=[NH+]C[C@H]1CCCO1 ZINC000912508790 852313612 /nfs/dbraw/zinc/31/36/12/852313612.db2.gz QJNGJMHVZANQHA-OAQYLSRUSA-N 1 0 397.567 3.626 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)CNc2cccc(C#N)c2)c2cccs2)CC1 ZINC000426002117 852373318 /nfs/dbraw/zinc/37/33/18/852373318.db2.gz NTWSKYIXNQDZHV-IBGZPJMESA-N 1 0 382.533 3.621 20 30 GHEDRO CC[N@H+](CCNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)CCC(F)(F)F ZINC000426003335 852376087 /nfs/dbraw/zinc/37/60/87/852376087.db2.gz JWTCMEPIHCQCEZ-UHFFFAOYSA-N 1 0 384.446 3.753 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489557706 852441455 /nfs/dbraw/zinc/44/14/55/852441455.db2.gz CTWFHHRQBUYGSU-SIKLNZKXSA-N 1 0 393.531 3.961 20 30 GHEDRO C=CC[N@@H+](CCOC)Cc1cc(Br)c(OC)c(Br)c1 ZINC000517802587 852441978 /nfs/dbraw/zinc/44/19/78/852441978.db2.gz VLZLMBIVXRFLOF-UHFFFAOYSA-N 1 0 393.119 3.855 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)C(C)C ZINC000425646394 852451578 /nfs/dbraw/zinc/45/15/78/852451578.db2.gz BQOGAAARFCTUQR-NHCUHLMSSA-N 1 0 389.584 3.676 20 30 GHEDRO CCc1ccccc1OCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505893130 852454526 /nfs/dbraw/zinc/45/45/26/852454526.db2.gz BEOHYBSIDRRQOA-UHFFFAOYSA-N 1 0 391.515 3.624 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000519587998 852550729 /nfs/dbraw/zinc/55/07/29/852550729.db2.gz LZQCEFNCQUILGN-UMVBOHGHSA-N 1 0 394.313 3.524 20 30 GHEDRO Cc1cccc(Cl)c1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000489729574 852554902 /nfs/dbraw/zinc/55/49/02/852554902.db2.gz PTAGGEHEGCHVDK-UHFFFAOYSA-N 1 0 381.907 3.866 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000438549163 852561616 /nfs/dbraw/zinc/56/16/16/852561616.db2.gz YWFZEKCJNCQVRL-HOHBBMLPSA-N 1 0 382.552 3.718 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000507180450 852631121 /nfs/dbraw/zinc/63/11/21/852631121.db2.gz NLNMIOMVILRYSF-NHCUHLMSSA-N 1 0 381.516 3.961 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507198695 852648317 /nfs/dbraw/zinc/64/83/17/852648317.db2.gz ZIXMYJUXJJWYGV-SFHVURJKSA-N 1 0 394.519 3.937 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000490034990 852718149 /nfs/dbraw/zinc/71/81/49/852718149.db2.gz VKVOIJXALZXFRS-GHTZIAJQSA-N 1 0 375.472 3.552 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)cc(OC)c1 ZINC000490047134 852733167 /nfs/dbraw/zinc/73/31/67/852733167.db2.gz JINURTCHLKJCMY-SFHVURJKSA-N 1 0 381.476 3.531 20 30 GHEDRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000329877686 862391794 /nfs/dbraw/zinc/39/17/94/862391794.db2.gz JQERIEYWAPDAFQ-HZPDHXFCSA-N 1 0 375.538 3.645 20 30 GHEDRO CC(C)(C)[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1O ZINC000329883988 862395844 /nfs/dbraw/zinc/39/58/44/862395844.db2.gz RUIZVAKTVPNPJG-RFQIGKHKSA-N 1 0 399.579 3.825 20 30 GHEDRO CC(C)NC(=O)NC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000329895417 862403707 /nfs/dbraw/zinc/40/37/07/862403707.db2.gz BWGIMWIPBYGREW-LJQANCHMSA-N 1 0 386.540 3.832 20 30 GHEDRO C=CCc1cc(CN[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc(OC)c1O ZINC000414958234 852922168 /nfs/dbraw/zinc/92/21/68/852922168.db2.gz WKNXWCLHPSRURN-XLIONFOSSA-N 1 0 388.458 3.643 20 30 GHEDRO C=CCc1cc(CN[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc(OC)c1O ZINC000414958233 852922287 /nfs/dbraw/zinc/92/22/87/852922287.db2.gz WKNXWCLHPSRURN-PXNSSMCTSA-N 1 0 388.458 3.643 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000506394484 852956033 /nfs/dbraw/zinc/95/60/33/852956033.db2.gz AQWQKBKPYNBWSN-UHFFFAOYSA-N 1 0 398.478 3.794 20 30 GHEDRO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)ccc1OCc1cccc(C#N)c1 ZINC000426201559 853002278 /nfs/dbraw/zinc/00/22/78/853002278.db2.gz AQLMEYMCIAKGDZ-NHCUHLMSSA-N 1 0 380.488 3.881 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(C)CC[NH+](C)CC2)cc1C ZINC000507570523 853040121 /nfs/dbraw/zinc/04/01/21/853040121.db2.gz SNIRTQGCDJBRTF-UHFFFAOYSA-N 1 0 393.535 3.542 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)NC3(c4nc(C)cs4)CCC3)c2)CC1 ZINC000329928969 862431282 /nfs/dbraw/zinc/43/12/82/862431282.db2.gz MZTPNXKLOOTSKN-UHFFFAOYSA-N 1 0 399.564 3.808 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000438995345 853169479 /nfs/dbraw/zinc/16/94/79/853169479.db2.gz CYJDCBIILJBCIB-YTFSRNRJSA-N 1 0 397.563 3.956 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000437500716 853203733 /nfs/dbraw/zinc/20/37/33/853203733.db2.gz MUDDFRFVJPGAAD-WSTZPKSXSA-N 1 0 396.453 3.538 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000437500697 853204256 /nfs/dbraw/zinc/20/42/56/853204256.db2.gz MUDDFRFVJPGAAD-BJLQDIEVSA-N 1 0 396.453 3.538 20 30 GHEDRO CC(=NNc1ccc(Br)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732712728 862441598 /nfs/dbraw/zinc/44/15/98/862441598.db2.gz GFGZHBDJTDCQEQ-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2=O)n(C)n1 ZINC000543861314 853267971 /nfs/dbraw/zinc/26/79/71/853267971.db2.gz IGELOWJSZQLCLQ-JTSKRJEESA-N 1 0 399.498 3.723 20 30 GHEDRO CC(C)OCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000518447705 853353099 /nfs/dbraw/zinc/35/30/99/853353099.db2.gz ARHVNFDUTLTUCV-OAHLLOKOSA-N 1 0 377.554 3.820 20 30 GHEDRO C[C@H]1C[C@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157080667 853511364 /nfs/dbraw/zinc/51/13/64/853511364.db2.gz WCXQKZLKYGRUMN-RBBKRZOGSA-N 1 0 396.579 3.656 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000517307167 853622820 /nfs/dbraw/zinc/62/28/20/853622820.db2.gz RTFJYVZTXBEZDT-JTHBVZDNSA-N 1 0 391.515 3.915 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000517321025 853655149 /nfs/dbraw/zinc/65/51/49/853655149.db2.gz TZQYJIMYGYKEEF-UHFFFAOYSA-N 1 0 378.929 3.789 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cc(COC(C)(C)C)on2)c1 ZINC000185952733 862493496 /nfs/dbraw/zinc/49/34/96/862493496.db2.gz DEBYALSCIULQFD-UHFFFAOYSA-N 1 0 390.484 3.714 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(O)c(OC)c1 ZINC000164266619 853802300 /nfs/dbraw/zinc/80/23/00/853802300.db2.gz MABTYQRRLMBQPD-IBGZPJMESA-N 1 0 399.466 3.664 20 30 GHEDRO N#Cc1ccc(N2CCC(c3nc(-c4ccc(C[NH3+])cc4)no3)CC2)c(F)c1 ZINC000571325941 853840909 /nfs/dbraw/zinc/84/09/09/853840909.db2.gz XWIVNLLEJHGDTC-UHFFFAOYSA-N 1 0 377.423 3.590 20 30 GHEDRO CC1CCC([NH+]2CCN(C(=O)C3CCC(NC(=O)C4CC4)CC3)CC2)CC1 ZINC000330021040 862513533 /nfs/dbraw/zinc/51/35/33/862513533.db2.gz XEKMFIZCUOYNKB-UHFFFAOYSA-N 1 0 375.557 3.635 20 30 GHEDRO COc1ccc(C[C@H](CO)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1O ZINC000571567540 853952193 /nfs/dbraw/zinc/95/21/93/853952193.db2.gz PMQMBHCSNIWWOG-RNQSCQIESA-N 1 0 394.515 3.546 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(Cl)s3)CC2)cc1 ZINC000045013955 854032124 /nfs/dbraw/zinc/03/21/24/854032124.db2.gz NCYXATLQWLOOSG-UHFFFAOYSA-N 1 0 387.936 3.940 20 30 GHEDRO CSc1ccc(N2C[C@H](C(=O)NC3CC([NH+]4CCCCC4)C3)CC2=O)cc1 ZINC000330039934 862525388 /nfs/dbraw/zinc/52/53/88/862525388.db2.gz BZTLLRVVDNRUQR-KLHKWILBSA-N 1 0 387.549 3.735 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000520338839 854096112 /nfs/dbraw/zinc/09/61/12/854096112.db2.gz XRXRNCHAQFEJKH-KDURUIRLSA-N 1 0 385.552 3.980 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2nc3ccccc3s2)c(OC)c1 ZINC000550328509 854214000 /nfs/dbraw/zinc/21/40/00/854214000.db2.gz UAGVNRMNIHJYTO-MRXNPFEDSA-N 1 0 384.501 3.563 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588235379 854227162 /nfs/dbraw/zinc/22/71/62/854227162.db2.gz CLSJXYFCVRURKW-OXQOHEQNSA-N 1 0 391.475 3.836 20 30 GHEDRO C=C(C)CN(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000458866950 854261683 /nfs/dbraw/zinc/26/16/83/854261683.db2.gz BISRJZQDLKPHFV-NRFANRHFSA-N 1 0 385.552 3.523 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000588652692 854327546 /nfs/dbraw/zinc/32/75/46/854327546.db2.gz PCNMVZGFGKMFPP-PCCBWWKXSA-N 1 0 382.552 3.916 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cn1cc3ccccc3n1)c1ccccc1O2 ZINC000330072431 862554459 /nfs/dbraw/zinc/55/44/59/862554459.db2.gz JQLFGGBQQJSPTF-FQEVSTJZSA-N 1 0 390.487 3.981 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)c1ccco1 ZINC000588766158 854428635 /nfs/dbraw/zinc/42/86/35/854428635.db2.gz GYSNMDYAJHNEAR-MDKPJZGXSA-N 1 0 383.492 3.800 20 30 GHEDRO O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328651854 854489478 /nfs/dbraw/zinc/48/94/78/854489478.db2.gz KBAMCULEPZSSIV-IAGOWNOFSA-N 1 0 392.475 3.965 20 30 GHEDRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000328601325 854501228 /nfs/dbraw/zinc/50/12/28/854501228.db2.gz FGNLNRQEXFUUAK-LJQANCHMSA-N 1 0 381.524 3.903 20 30 GHEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000328692872 854511308 /nfs/dbraw/zinc/51/13/08/854511308.db2.gz JHYPVEAWTHVCBC-ZIFCJYIRSA-N 1 0 378.476 3.521 20 30 GHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c2)cn1 ZINC000328714792 854519287 /nfs/dbraw/zinc/51/92/87/854519287.db2.gz SPKQRGSAGRGZMQ-IBGZPJMESA-N 1 0 380.492 3.781 20 30 GHEDRO C=C[C@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000458897527 854552574 /nfs/dbraw/zinc/55/25/74/854552574.db2.gz VOBOKBWZNCLODK-VXKWHMMOSA-N 1 0 397.563 3.665 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000481992184 862587717 /nfs/dbraw/zinc/58/77/17/862587717.db2.gz QMFQHVQCUDEDTH-PKTZIBPZSA-N 1 0 384.483 3.983 20 30 GHEDRO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000328994308 854645516 /nfs/dbraw/zinc/64/55/16/854645516.db2.gz GELPHDXLWNZJQO-YJPCQTTLSA-N 1 0 391.600 3.959 20 30 GHEDRO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000328994954 854645544 /nfs/dbraw/zinc/64/55/44/854645544.db2.gz GIRMGDVPAUNTOW-UWJYYQICSA-N 1 0 389.515 3.814 20 30 GHEDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000330462780 854672835 /nfs/dbraw/zinc/67/28/35/854672835.db2.gz BTSFYFUCDGSOCC-ZUZCIYMTSA-N 1 0 384.274 3.699 20 30 GHEDRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000330126100 862595751 /nfs/dbraw/zinc/59/57/51/862595751.db2.gz MECLCJOZPGKFBD-SIXWZSSISA-N 1 0 375.538 3.718 20 30 GHEDRO CC(C)CNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000330712743 854734903 /nfs/dbraw/zinc/73/49/03/854734903.db2.gz QSKWNOQBRGSPGI-KGLIPLIRSA-N 1 0 380.920 3.871 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)C[C@@H]1C ZINC000330989147 854792218 /nfs/dbraw/zinc/79/22/18/854792218.db2.gz RUIPJDYNXOHRIH-RDJZCZTQSA-N 1 0 375.513 3.947 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)C[C@@H]1C ZINC000331178637 854822731 /nfs/dbraw/zinc/82/27/31/854822731.db2.gz WLCYSYUVIANCTD-HKUYNNGSSA-N 1 0 388.556 3.826 20 30 GHEDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000765794644 854841527 /nfs/dbraw/zinc/84/15/27/854841527.db2.gz AUFLRZULKQEWLO-OAQYLSRUSA-N 1 0 376.504 3.713 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)C[C@@H]1C ZINC000330142548 862610837 /nfs/dbraw/zinc/61/08/37/862610837.db2.gz YITAXFRLMZCOKS-FHWLQOOXSA-N 1 0 389.540 3.985 20 30 GHEDRO Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000330144271 862612579 /nfs/dbraw/zinc/61/25/79/862612579.db2.gz ZNBQSQHTCIXUJI-HXUWFJFHSA-N 1 0 388.556 3.668 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000330153365 862619270 /nfs/dbraw/zinc/61/92/70/862619270.db2.gz MRJKOPHGIKWNSR-SFHVURJKSA-N 1 0 397.629 3.980 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)C2)CC1 ZINC000330157692 862622855 /nfs/dbraw/zinc/62/28/55/862622855.db2.gz PNXTULCEXPGNLH-MRXNPFEDSA-N 1 0 387.915 3.735 20 30 GHEDRO Cc1ccnc(-c2cccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)c2)n1 ZINC000330167874 862630900 /nfs/dbraw/zinc/63/09/00/862630900.db2.gz ZNCHGQYEAKLYKJ-UHFFFAOYSA-N 1 0 379.508 3.948 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1CC(C)(C)C ZINC000669334420 855033954 /nfs/dbraw/zinc/03/39/54/855033954.db2.gz ALJTWHFFFRWRSA-OTWHNJEPSA-N 1 0 387.572 3.795 20 30 GHEDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000273040608 855042815 /nfs/dbraw/zinc/04/28/15/855042815.db2.gz WQWJJJHTFWZWQU-OAHLLOKOSA-N 1 0 385.471 3.694 20 30 GHEDRO COCC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccco1 ZINC000273222748 855078917 /nfs/dbraw/zinc/07/89/17/855078917.db2.gz DMUILYYJTWVOLT-MRXNPFEDSA-N 1 0 387.505 3.788 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000589643738 855087055 /nfs/dbraw/zinc/08/70/55/855087055.db2.gz CLKMWJNONWJPLI-XLIONFOSSA-N 1 0 378.524 3.559 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000589706106 855115219 /nfs/dbraw/zinc/11/52/19/855115219.db2.gz SLSGLNQVBRRZGH-TZIWHRDSSA-N 1 0 395.499 3.763 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000425420683 855150849 /nfs/dbraw/zinc/15/08/49/855150849.db2.gz SRWLKRNDMCTXQB-UGKGYDQZSA-N 1 0 385.552 3.841 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000106035763 855171083 /nfs/dbraw/zinc/17/10/83/855171083.db2.gz AAUXFXAMEMVPEG-MSOLQXFVSA-N 1 0 377.326 3.709 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)COc2ccccc2C#N)c2cccs2)CC1 ZINC000027573655 855209231 /nfs/dbraw/zinc/20/92/31/855209231.db2.gz RKPHEISEAFDTNE-GOSISDBHSA-N 1 0 383.517 3.588 20 30 GHEDRO Cc1nc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)sc1SCC#N ZINC000057173116 855255611 /nfs/dbraw/zinc/25/56/11/855255611.db2.gz LBUQXJKXKSCBMK-MRXNPFEDSA-N 1 0 386.546 3.918 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c2c1c(C)n[nH]c2=O ZINC000590121286 855287959 /nfs/dbraw/zinc/28/79/59/855287959.db2.gz APZJNXCUKSUFBJ-INIZCTEOSA-N 1 0 393.447 3.509 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1Cc2ccccc2C1 ZINC000165932086 855333677 /nfs/dbraw/zinc/33/36/77/855333677.db2.gz JNGGJFSRTBXWLB-UHFFFAOYSA-N 1 0 379.529 3.926 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC2(CCCC2)c2ccccc21 ZINC000330218843 862669410 /nfs/dbraw/zinc/66/94/10/862669410.db2.gz JRVSAHJGZSZTPH-NHCUHLMSSA-N 1 0 383.536 3.610 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000330219293 862669687 /nfs/dbraw/zinc/66/96/87/862669687.db2.gz KAQCBWITDZZREB-AQNXPRMDSA-N 1 0 391.943 3.769 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@H](C(F)(F)F)C1 ZINC000590354049 855379367 /nfs/dbraw/zinc/37/93/67/855379367.db2.gz UKBROFSTCNPTFI-BRWVUGGUSA-N 1 0 379.426 3.571 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)C1 ZINC000553796354 855444937 /nfs/dbraw/zinc/44/49/37/855444937.db2.gz NTHLYIMNGNOGEF-JOCHJYFZSA-N 1 0 377.513 3.877 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000280819701 855508790 /nfs/dbraw/zinc/50/87/90/855508790.db2.gz DQXVKVLBYVMSIZ-UHFFFAOYSA-N 1 0 397.404 3.995 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cnn1-c1ccc(F)cc1 ZINC000330243619 862687744 /nfs/dbraw/zinc/68/77/44/862687744.db2.gz CSOMQLZZAOYJNH-MJGOQNOKSA-N 1 0 385.487 3.917 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@H](C)NC(=O)C3CCCCC3)C1)CCCC2 ZINC000330248620 862692992 /nfs/dbraw/zinc/69/29/92/862692992.db2.gz GGBPRRVLZRSXBT-MAUKXSAKSA-N 1 0 386.540 3.769 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000590780691 855582062 /nfs/dbraw/zinc/58/20/62/855582062.db2.gz OPEVPRLAIRXZIC-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCc3cc(OC)ccc3C2)c(OC)c1 ZINC000590790096 855586665 /nfs/dbraw/zinc/58/66/65/855586665.db2.gz LYPGDDYTOFFFIA-OAQYLSRUSA-N 1 0 397.515 3.620 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000590803705 855595570 /nfs/dbraw/zinc/59/55/70/855595570.db2.gz JSGRJLILHHWBJF-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO Cc1nnc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(C#N)c1C ZINC000301068222 855611731 /nfs/dbraw/zinc/61/17/31/855611731.db2.gz AYSWCNZCHKWPNS-UHFFFAOYSA-N 1 0 381.483 3.857 20 30 GHEDRO COc1ccc([C@@H](CNc2nc3c(cc2C#N)CCCC3)[NH+](C)C)cc1OC ZINC000301089143 855616825 /nfs/dbraw/zinc/61/68/25/855616825.db2.gz MGFUACYOGPZHAP-LJQANCHMSA-N 1 0 380.492 3.564 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000171725796 862703925 /nfs/dbraw/zinc/70/39/25/862703925.db2.gz FBHMOGZIEATJIO-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2ccc(C#N)cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000301296350 855658000 /nfs/dbraw/zinc/65/80/00/855658000.db2.gz SDWOHFXPXHTCPZ-INIZCTEOSA-N 1 0 380.448 3.778 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000330264345 862705745 /nfs/dbraw/zinc/70/57/45/862705745.db2.gz XUTWQHIPBFXSFC-KRWDZBQOSA-N 1 0 381.524 3.706 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301540821 855713768 /nfs/dbraw/zinc/71/37/68/855713768.db2.gz SAPDTACGBULZHD-LJQANCHMSA-N 1 0 392.890 3.591 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3cc(C#N)nc4ccccc43)C2)cc(OC)c1 ZINC000301561055 855717514 /nfs/dbraw/zinc/71/75/14/855717514.db2.gz KKLJAQVPJXGRIA-QGZVFWFLSA-N 1 0 388.471 3.810 20 30 GHEDRO COc1ccc([C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000301630561 855731088 /nfs/dbraw/zinc/73/10/88/855731088.db2.gz IVLOXVNZSFDIRP-SFHVURJKSA-N 1 0 381.436 3.509 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000591024162 855744109 /nfs/dbraw/zinc/74/41/09/855744109.db2.gz CBDOZQKJXOIGAL-SFHVURJKSA-N 1 0 391.393 3.883 20 30 GHEDRO CC(C)Oc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000057219325 855821411 /nfs/dbraw/zinc/82/14/11/855821411.db2.gz LIIPZTVNSMCSHX-UHFFFAOYSA-N 1 0 394.519 3.619 20 30 GHEDRO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000554187242 855854694 /nfs/dbraw/zinc/85/46/94/855854694.db2.gz HZDFZPLIKRLLQB-FZKQIMNGSA-N 1 0 388.418 3.973 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591335395 855894079 /nfs/dbraw/zinc/89/40/79/855894079.db2.gz MUCRWYYMIJXJMX-NZQKXSOJSA-N 1 0 388.515 3.757 20 30 GHEDRO N#Cc1cc2c(nc1NC[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000302805016 855938611 /nfs/dbraw/zinc/93/86/11/855938611.db2.gz WKCNZEKOJNHOFF-OAQYLSRUSA-N 1 0 376.504 3.535 20 30 GHEDRO COc1cc(C#N)ccc1-c1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1 ZINC000904741799 855977677 /nfs/dbraw/zinc/97/76/77/855977677.db2.gz PETSPBPWWMZTFD-UHFFFAOYSA-N 1 0 394.406 3.554 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000568756147 856050384 /nfs/dbraw/zinc/05/03/84/856050384.db2.gz KGAGINBPGJYNIJ-UHFFFAOYSA-N 1 0 390.531 3.984 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(CC#N)CC2)C[C@@H]1C(F)(F)F ZINC001168562351 856053939 /nfs/dbraw/zinc/05/39/39/856053939.db2.gz YNLJDULWISFQMS-LSDHHAIUSA-N 1 0 375.435 3.942 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000905087152 856143704 /nfs/dbraw/zinc/14/37/04/856143704.db2.gz DRJBZTCEHIRAEW-GOSISDBHSA-N 1 0 391.302 3.552 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C)(C#N)CC2)C[C@H]1C(F)(F)F ZINC001168568410 856193209 /nfs/dbraw/zinc/19/32/09/856193209.db2.gz LHURAMWGMSDJBT-KBPBESRZSA-N 1 0 375.435 3.942 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)[NH+]1CCCCC1 ZINC000573534108 856244346 /nfs/dbraw/zinc/24/43/46/856244346.db2.gz YKMOMKCXMJYPFP-AUSIDOKSSA-N 1 0 381.520 3.812 20 30 GHEDRO Cc1cc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(C)c(C)c1C#N ZINC001128712031 856246745 /nfs/dbraw/zinc/24/67/45/856246745.db2.gz BTKLHCCAZLHPGZ-TZIWHRDSSA-N 1 0 394.519 3.637 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000591771139 856291359 /nfs/dbraw/zinc/29/13/59/856291359.db2.gz OPUMNBMHLWLACK-MJGOQNOKSA-N 1 0 388.920 3.911 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000591917932 856400068 /nfs/dbraw/zinc/40/00/68/856400068.db2.gz KUKXVWZQQJRLQA-UHFFFAOYSA-N 1 0 384.911 3.841 20 30 GHEDRO COc1ccc(CC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000109960600 856403275 /nfs/dbraw/zinc/40/32/75/856403275.db2.gz ASUKHJRBAFWRSW-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000591929168 856404523 /nfs/dbraw/zinc/40/45/23/856404523.db2.gz KIPRLPVQESSWOP-SFHVURJKSA-N 1 0 392.890 3.939 20 30 GHEDRO CCCN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000058271586 856420365 /nfs/dbraw/zinc/42/03/65/856420365.db2.gz JQNZSRZVKYTWGD-UHFFFAOYSA-N 1 0 378.520 3.608 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000181213199 862800164 /nfs/dbraw/zinc/80/01/64/862800164.db2.gz QHXWLMHLVKFNKN-DENIHFKCSA-N 1 0 377.488 3.691 20 30 GHEDRO Cc1cc(C)c(C#N)c(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000061546082 856511051 /nfs/dbraw/zinc/51/10/51/856511051.db2.gz LBLFPRSYEZXNMI-UHFFFAOYSA-N 1 0 394.544 3.574 20 30 GHEDRO CCC[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[N@@H+]1CCOC ZINC000499460940 856521909 /nfs/dbraw/zinc/52/19/09/856521909.db2.gz WXTIUCIIUMXCRC-HXUWFJFHSA-N 1 0 391.515 3.798 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(CC#N)cc1 ZINC000592025963 856627469 /nfs/dbraw/zinc/62/74/69/856627469.db2.gz JAAYJWBUANYSFH-QHCPKHFHSA-N 1 0 390.531 3.806 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000542885201 856651999 /nfs/dbraw/zinc/65/19/99/856651999.db2.gz UWDQZUXJLJACBG-WZONZLPQSA-N 1 0 391.515 4.000 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(n2cc(Cl)cn2)CC1)C(C)C ZINC000507974273 856754820 /nfs/dbraw/zinc/75/48/20/856754820.db2.gz XGUBHXUQUSJTNE-LJQANCHMSA-N 1 0 393.963 3.582 20 30 GHEDRO CC(C)N(CC(=O)Nc1sccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592154092 856757114 /nfs/dbraw/zinc/75/71/14/856757114.db2.gz NSWBMKDYTATLEN-LJQANCHMSA-N 1 0 382.533 3.543 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000465887397 856764751 /nfs/dbraw/zinc/76/47/51/856764751.db2.gz KYGGSOUEWZBNQD-UHFFFAOYSA-N 1 0 398.551 3.669 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 ZINC000592526144 856920399 /nfs/dbraw/zinc/92/03/99/856920399.db2.gz USSHVDOQTKZMJP-INIZCTEOSA-N 1 0 379.907 3.846 20 30 GHEDRO C=CC1CCN(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000111469328 856925244 /nfs/dbraw/zinc/92/52/44/856925244.db2.gz RQAQPCXMVASADS-UHFFFAOYSA-N 1 0 384.568 3.505 20 30 GHEDRO O=c1[nH]c2ccccc2cc1C=NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000760980425 856930230 /nfs/dbraw/zinc/93/02/30/856930230.db2.gz MVGPGOHQTIODLZ-VMHRPQTGSA-N 1 0 377.513 3.977 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000151478493 856954386 /nfs/dbraw/zinc/95/43/86/856954386.db2.gz HNZAAVUQPGRXIC-LJQANCHMSA-N 1 0 392.421 3.629 20 30 GHEDRO C[NH+](C)Cc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000485703641 856954441 /nfs/dbraw/zinc/95/44/41/856954441.db2.gz IARQARYTKDTMHQ-UHFFFAOYSA-N 1 0 377.366 3.813 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000281125897 862857774 /nfs/dbraw/zinc/85/77/74/862857774.db2.gz XZBBUMNMMQEXLY-BHIYHBOVSA-N 1 0 375.900 3.556 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000245608900 856999429 /nfs/dbraw/zinc/99/94/29/856999429.db2.gz ZZRDLLWQFUGLOC-GDBMZVCRSA-N 1 0 383.492 3.914 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3ncc(C#N)cc3Cl)c2)CC1 ZINC000428045408 857055928 /nfs/dbraw/zinc/05/59/28/857055928.db2.gz BEBPPNWIEHXERZ-UHFFFAOYSA-N 1 0 382.895 3.769 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC000733324757 862866927 /nfs/dbraw/zinc/86/69/27/862866927.db2.gz BALZUJSKCONYFU-QZTJIDSGSA-N 1 0 382.479 3.741 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000733324765 862867046 /nfs/dbraw/zinc/86/70/46/862867046.db2.gz BAVZWCPWVVHJCQ-UHFFFAOYSA-N 1 0 387.277 3.580 20 30 GHEDRO C=CCC1([NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCOCC1 ZINC000668552480 857112084 /nfs/dbraw/zinc/11/20/84/857112084.db2.gz MZLOQPHVUTZQQJ-QZTJIDSGSA-N 1 0 382.504 3.699 20 30 GHEDRO CSc1cccc(N(C(=O)COc2ccccc2C#N)C2CC[NH+](C)CC2)c1 ZINC000112247713 857113503 /nfs/dbraw/zinc/11/35/03/857113503.db2.gz XFQVTPRBLRVCIM-UHFFFAOYSA-N 1 0 395.528 3.786 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000064237236 857120474 /nfs/dbraw/zinc/12/04/74/857120474.db2.gz UJJPHYLWUCJYQA-QFIPXVFZSA-N 1 0 376.504 3.845 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173858841 857169352 /nfs/dbraw/zinc/16/93/52/857169352.db2.gz FYHUJDCAMHJASY-HUUCEWRRSA-N 1 0 383.423 3.540 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 ZINC000485871587 857173467 /nfs/dbraw/zinc/17/34/67/857173467.db2.gz QACNWGUTFMIFKD-YTFSRNRJSA-N 1 0 394.540 3.990 20 30 GHEDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000174032018 857199829 /nfs/dbraw/zinc/19/98/29/857199829.db2.gz KVYCTDGCLAJEDF-AWEZNQCLSA-N 1 0 386.293 3.791 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282190683 857215033 /nfs/dbraw/zinc/21/50/33/857215033.db2.gz GEKVPYVDGRUEJV-UHFFFAOYSA-N 1 0 383.540 3.572 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c1F ZINC000574036367 857218631 /nfs/dbraw/zinc/21/86/31/857218631.db2.gz OPVWSRKGLLOWCV-KRWDZBQOSA-N 1 0 383.442 3.755 20 30 GHEDRO Cc1sc([C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000574150616 857237332 /nfs/dbraw/zinc/23/73/32/857237332.db2.gz DNBBKKBCRAHMRK-GUYCJALGSA-N 1 0 392.956 3.629 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1cccs1 ZINC000246183345 857275565 /nfs/dbraw/zinc/27/55/65/857275565.db2.gz NLAAOJONTUALSE-UGSOOPFHSA-N 1 0 375.444 3.711 20 30 GHEDRO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000593076432 857338650 /nfs/dbraw/zinc/33/86/50/857338650.db2.gz CEDJJWLOFSYHCX-JXFKEZNVSA-N 1 0 380.492 3.788 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)ccc1Cl ZINC000550453026 857341942 /nfs/dbraw/zinc/34/19/42/857341942.db2.gz LJHBALWJOHWNFD-HXUWFJFHSA-N 1 0 391.943 3.672 20 30 GHEDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542978487 857350363 /nfs/dbraw/zinc/35/03/63/857350363.db2.gz BQSFKUYTWOFVCZ-IEBWSBKVSA-N 1 0 376.504 3.927 20 30 GHEDRO CCN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000174661096 857358222 /nfs/dbraw/zinc/35/82/22/857358222.db2.gz HBCSGAUBTRSXAM-IBGZPJMESA-N 1 0 390.531 3.529 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000174905366 857405859 /nfs/dbraw/zinc/40/58/59/857405859.db2.gz NQIPBNNVPFLANY-QFIPXVFZSA-N 1 0 377.488 3.649 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000509214434 862909333 /nfs/dbraw/zinc/90/93/33/862909333.db2.gz ZDVMJHDTXUURQF-UHFFFAOYSA-N 1 0 381.907 3.992 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000149290506 857436240 /nfs/dbraw/zinc/43/62/40/857436240.db2.gz VICNJOGSICHAHU-UHFFFAOYSA-N 1 0 396.438 3.905 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000574248809 857500020 /nfs/dbraw/zinc/50/00/20/857500020.db2.gz FRRAIPHGIVVAKN-PXNSSMCTSA-N 1 0 378.524 3.559 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(C#N)CC4CCC3CC4)cc2)CC1 ZINC000907222779 857534551 /nfs/dbraw/zinc/53/45/51/857534551.db2.gz HVJFXMVRLXSGJP-QPFKGPCDSA-N 1 0 380.536 3.876 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000521108030 857625206 /nfs/dbraw/zinc/62/52/06/857625206.db2.gz PALWDAJRGPIDGI-GOSISDBHSA-N 1 0 392.503 3.987 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(-c2cnn(C)c2)ccc1F)C(C)C ZINC000543011972 857830865 /nfs/dbraw/zinc/83/08/65/857830865.db2.gz UEKZLWVRZRTJRY-OAQYLSRUSA-N 1 0 384.499 3.655 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000521374811 857926959 /nfs/dbraw/zinc/92/69/59/857926959.db2.gz CKAVITBAVRXTLN-KRWDZBQOSA-N 1 0 385.533 3.746 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000521377945 857930353 /nfs/dbraw/zinc/93/03/53/857930353.db2.gz ZEPPDAZWMLYXLQ-UHFFFAOYSA-N 1 0 391.450 3.758 20 30 GHEDRO Cc1cc(OC(F)F)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1 ZINC000114277247 857962512 /nfs/dbraw/zinc/96/25/12/857962512.db2.gz WNEKIIITVHFVIC-UHFFFAOYSA-N 1 0 393.459 3.734 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000066175158 857990124 /nfs/dbraw/zinc/99/01/24/857990124.db2.gz SGDWKYPVYFJJNB-NRFANRHFSA-N 1 0 382.483 3.920 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000439003950 858016904 /nfs/dbraw/zinc/01/69/04/858016904.db2.gz OQVPTGWCNXPMQF-PWVUHJLOSA-N 1 0 395.547 3.705 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000073440730 858066055 /nfs/dbraw/zinc/06/60/55/858066055.db2.gz OMHMRRWHMSXHBH-FDFHNCONSA-N 1 0 376.504 3.771 20 30 GHEDRO Cn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000330338591 862987559 /nfs/dbraw/zinc/98/75/59/862987559.db2.gz VPBAGPZFKRCAMK-SESVDKBCSA-N 1 0 382.508 3.509 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000594429482 858174141 /nfs/dbraw/zinc/17/41/41/858174141.db2.gz QGIHCSJJFPULBQ-LBPRGKRZSA-N 1 0 378.192 3.818 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000594430334 858175228 /nfs/dbraw/zinc/17/52/28/858175228.db2.gz ZPGXZTFHFJKXSR-OAHLLOKOSA-N 1 0 380.279 3.588 20 30 GHEDRO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000594437301 858177075 /nfs/dbraw/zinc/17/70/75/858177075.db2.gz LFIYUMKLZBPJKB-KKSFZXQISA-N 1 0 383.467 3.993 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000594434551 858177266 /nfs/dbraw/zinc/17/72/66/858177266.db2.gz OTZZGZXDOVMEKE-JTQLQIEISA-N 1 0 399.339 3.984 20 30 GHEDRO CCc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)sc1-c1ccccc1 ZINC000594424075 858185565 /nfs/dbraw/zinc/18/55/65/858185565.db2.gz RXNOFNKTUMFREN-UHFFFAOYSA-N 1 0 393.516 3.977 20 30 GHEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)N(C)C)cc1OC ZINC000594493407 858190413 /nfs/dbraw/zinc/19/04/13/858190413.db2.gz LSTNGXXGYGOUOK-FQEVSTJZSA-N 1 0 381.520 3.897 20 30 GHEDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594500424 858193268 /nfs/dbraw/zinc/19/32/68/858193268.db2.gz TWSLXYJPZGKIKL-UHFFFAOYSA-N 1 0 399.560 3.605 20 30 GHEDRO N#CCCn1cc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000594976741 858338300 /nfs/dbraw/zinc/33/83/00/858338300.db2.gz GLEUTZYWRGJFAP-NRFANRHFSA-N 1 0 377.536 3.960 20 30 GHEDRO N#CCCn1cc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000594976752 858338415 /nfs/dbraw/zinc/33/84/15/858338415.db2.gz GLEUTZYWRGJFAP-OAQYLSRUSA-N 1 0 377.536 3.960 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H](CO)Cc3ccc(Br)cc3)cc2)CC1 ZINC000594939160 858340155 /nfs/dbraw/zinc/34/01/55/858340155.db2.gz QDKIOPRBFKMSLI-GOSISDBHSA-N 1 0 399.332 3.945 20 30 GHEDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000594962705 858347598 /nfs/dbraw/zinc/34/75/98/858347598.db2.gz GADFCAAXVXIWIF-ZFJSRUIDSA-N 1 0 394.515 3.793 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1OCCCC#N ZINC000594980860 858357064 /nfs/dbraw/zinc/35/70/64/858357064.db2.gz UMJCHNLPAJFXHS-VQTJNVASSA-N 1 0 382.508 3.612 20 30 GHEDRO CC(C)(C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@]1(O)CCCOC1 ZINC000594994769 858360723 /nfs/dbraw/zinc/36/07/23/858360723.db2.gz GHTWNOLZNLDAFA-DEOSSOPVSA-N 1 0 394.515 3.795 20 30 GHEDRO CC(C)(C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@]1(O)CCCOC1 ZINC000594994770 858360793 /nfs/dbraw/zinc/36/07/93/858360793.db2.gz GHTWNOLZNLDAFA-XMMPIXPASA-N 1 0 394.515 3.795 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000574864100 858396790 /nfs/dbraw/zinc/39/67/90/858396790.db2.gz NJMZRZDZQIOFDV-JKSUJKDBSA-N 1 0 388.581 3.632 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccc(C#N)cc1 ZINC000046715200 858397724 /nfs/dbraw/zinc/39/77/24/858397724.db2.gz LIOVTKJQRPRTQP-GOSISDBHSA-N 1 0 377.488 3.628 20 30 GHEDRO CN(C)c1cccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000159806800 863019353 /nfs/dbraw/zinc/01/93/53/863019353.db2.gz MDNOAVVZYSBMKI-UHFFFAOYSA-N 1 0 382.533 3.635 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000595233537 858447486 /nfs/dbraw/zinc/44/74/86/858447486.db2.gz PPZUFOQCWYKXID-QZTJIDSGSA-N 1 0 383.471 3.521 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CC[C@H]3Sc4ccccc4NC3=O)CC2)c1 ZINC000595301994 858466534 /nfs/dbraw/zinc/46/65/34/858466534.db2.gz HUVJFNKYEUDAEU-OAQYLSRUSA-N 1 0 393.512 3.905 20 30 GHEDRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000330345614 863029059 /nfs/dbraw/zinc/02/90/59/863029059.db2.gz FJRUIZYFCOOILD-UHFFFAOYSA-N 1 0 392.507 3.845 20 30 GHEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000673269414 858529689 /nfs/dbraw/zinc/52/96/89/858529689.db2.gz SQURAWPBLXVHLN-JOCHJYFZSA-N 1 0 397.563 3.723 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000115439702 858529886 /nfs/dbraw/zinc/52/98/86/858529886.db2.gz LEIKFCPQXATBIF-LJQANCHMSA-N 1 0 377.488 3.551 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000595498530 858545525 /nfs/dbraw/zinc/54/55/25/858545525.db2.gz IOFMKEABQZOOMW-GOSISDBHSA-N 1 0 388.943 3.887 20 30 GHEDRO C[C@@]1(C#N)CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000595500714 858546735 /nfs/dbraw/zinc/54/67/35/858546735.db2.gz KIWIKCJHSYGMIN-QHCPKHFHSA-N 1 0 382.552 3.666 20 30 GHEDRO C[C@@H]1CN(CCc2ccc(C#N)cc2)C(C)(C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595505136 858547399 /nfs/dbraw/zinc/54/73/99/858547399.db2.gz NOJKRKZWPXCFFT-HXUWFJFHSA-N 1 0 386.543 4.000 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000595550308 858564302 /nfs/dbraw/zinc/56/43/02/858564302.db2.gz ACTLICZSDQKTTE-UHFFFAOYSA-N 1 0 387.487 3.718 20 30 GHEDRO CC(C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(C#N)c1 ZINC000595640201 858623379 /nfs/dbraw/zinc/62/33/79/858623379.db2.gz PMFDICXKKJSDEH-UHFFFAOYSA-N 1 0 378.501 3.834 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](CO)Cc1ccccc1 ZINC000595596598 858626789 /nfs/dbraw/zinc/62/67/89/858626789.db2.gz PSLPEJNTOINXPC-HKUYNNGSSA-N 1 0 397.544 3.555 20 30 GHEDRO CN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126945709 858650301 /nfs/dbraw/zinc/65/03/01/858650301.db2.gz LTWPMOCRNOHYQS-UHFFFAOYSA-N 1 0 385.414 3.588 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)Cc3ccc4ccccc4c3)CCOCC2)c1 ZINC000595767454 858664056 /nfs/dbraw/zinc/66/40/56/858664056.db2.gz BMWZIYNNYYFOBJ-XMMPIXPASA-N 1 0 386.495 3.910 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595788979 858688921 /nfs/dbraw/zinc/68/89/21/858688921.db2.gz LWHZARAQJKDRNM-OPYAIIAOSA-N 1 0 387.499 3.742 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)c1cccc(Cl)c1 ZINC000595791034 858689725 /nfs/dbraw/zinc/68/97/25/858689725.db2.gz TUPBMDRPXNMMKL-XLIONFOSSA-N 1 0 389.927 3.868 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)c1cccc(Cl)c1 ZINC000595791035 858689894 /nfs/dbraw/zinc/68/98/94/858689894.db2.gz TUPBMDRPXNMMKL-YLJYHZDGSA-N 1 0 389.927 3.868 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4ccon4)CC3)sc2C1 ZINC000595828346 858700267 /nfs/dbraw/zinc/70/02/67/858700267.db2.gz KVLCHRDNWUTPEH-CQSZACIVSA-N 1 0 398.532 3.941 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773237 858703296 /nfs/dbraw/zinc/70/32/96/858703296.db2.gz GQZDZPMJVBJYBQ-UHFFFAOYSA-N 1 0 376.504 3.612 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)[C@@H]2C1 ZINC000615182421 858722557 /nfs/dbraw/zinc/72/25/57/858722557.db2.gz JBHXGXFYTQVZHD-WCQYABFASA-N 1 0 398.322 3.752 20 30 GHEDRO COc1ccc(-c2nccc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000596063363 858768564 /nfs/dbraw/zinc/76/85/64/858768564.db2.gz QAVODDUVJFYGRK-UHFFFAOYSA-N 1 0 399.498 3.736 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183710881 858804172 /nfs/dbraw/zinc/80/41/72/858804172.db2.gz ZEGGNNNYFKOFDU-FUHWJXTLSA-N 1 0 389.565 3.798 20 30 GHEDRO C=CCCSCCNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000596456989 858915599 /nfs/dbraw/zinc/91/55/99/858915599.db2.gz ZAJXYLCWNXVEAH-UHFFFAOYSA-N 1 0 376.570 3.568 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184351136 858918357 /nfs/dbraw/zinc/91/83/57/858918357.db2.gz OJUYSBOGZYHRPO-KBPBESRZSA-N 1 0 388.512 3.916 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000184542901 858957067 /nfs/dbraw/zinc/95/70/67/858957067.db2.gz SQEZKCPMMXFXAR-LHSJRXKWSA-N 1 0 382.533 3.886 20 30 GHEDRO COC(OC)c1c(C#N)ccnc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170330714 881368940 /nfs/dbraw/zinc/36/89/40/881368940.db2.gz RVEXLCWOOYCKOZ-OWZKRDHZSA-N 1 0 392.503 3.852 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000596679900 859000769 /nfs/dbraw/zinc/00/07/69/859000769.db2.gz ULDKRXAXHGJAJJ-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO CCC[C@@H]1CCc2nc(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2C1 ZINC000194541800 859003808 /nfs/dbraw/zinc/00/38/08/859003808.db2.gz WZWMWSDLTALUQP-OAHLLOKOSA-N 1 0 377.558 3.747 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000530102881 859036517 /nfs/dbraw/zinc/03/65/17/859036517.db2.gz CDGNOCIGSNISJS-DEOSSOPVSA-N 1 0 399.498 3.943 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000596727959 859058481 /nfs/dbraw/zinc/05/84/81/859058481.db2.gz MVQZYFBZIXTRPL-LJQANCHMSA-N 1 0 396.466 3.882 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1O2 ZINC000596790128 859077422 /nfs/dbraw/zinc/07/74/22/859077422.db2.gz IVRSZRDUBWMMOR-IBGZPJMESA-N 1 0 381.520 3.955 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000596854841 859099477 /nfs/dbraw/zinc/09/94/77/859099477.db2.gz SKBITQUKBKZWFW-FGZHOGPDSA-N 1 0 376.504 3.578 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483101245 859137620 /nfs/dbraw/zinc/13/76/20/859137620.db2.gz IGGVUTXJEWLRSC-MJGOQNOKSA-N 1 0 395.478 3.959 20 30 GHEDRO [NH2+]=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1OC(F)(F)F ZINC000187135938 859197666 /nfs/dbraw/zinc/19/76/66/859197666.db2.gz USDPZBWYTARNCQ-QMTHXVAHSA-N 1 0 399.335 3.795 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000596974780 859206027 /nfs/dbraw/zinc/20/60/27/859206027.db2.gz QUAKVUFQJZQJSX-QHCPKHFHSA-N 1 0 391.515 3.738 20 30 GHEDRO Cc1ncsc1-c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000596983340 859211909 /nfs/dbraw/zinc/21/19/09/859211909.db2.gz WEVBBMKKXWRQLM-UHFFFAOYSA-N 1 0 375.501 3.707 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429386556 859219186 /nfs/dbraw/zinc/21/91/86/859219186.db2.gz QBNOHSHNVAANJZ-PKOBYXMFSA-N 1 0 392.341 3.717 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000499726130 859320581 /nfs/dbraw/zinc/32/05/81/859320581.db2.gz NFROCVGSNHLWQX-GOSISDBHSA-N 1 0 381.476 3.725 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)c1cccc(OC)c1 ZINC000593301813 859330703 /nfs/dbraw/zinc/33/07/03/859330703.db2.gz JKTDGJBAEBVJJQ-JOCHJYFZSA-N 1 0 392.503 3.675 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(C#N)cc3F)CC2)c1 ZINC000532589219 859496297 /nfs/dbraw/zinc/49/62/97/859496297.db2.gz QUTKIJMFXNGHAD-UHFFFAOYSA-N 1 0 380.511 3.698 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000601739845 859496696 /nfs/dbraw/zinc/49/66/96/859496696.db2.gz PWICDWRZGKKGAN-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO Cc1ccc(C[C@H](C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593351575 859528732 /nfs/dbraw/zinc/52/87/32/859528732.db2.gz MMNQLTGXCVZPIN-IBGZPJMESA-N 1 0 375.516 3.826 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 ZINC000593351677 859530504 /nfs/dbraw/zinc/53/05/04/859530504.db2.gz QFDJWSSQRSZAEL-UHFFFAOYSA-N 1 0 385.511 3.761 20 30 GHEDRO Cc1nc(CC(C)C)sc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352423 859534835 /nfs/dbraw/zinc/53/48/35/859534835.db2.gz AEXRVRCOHUFNEX-UHFFFAOYSA-N 1 0 396.560 3.916 20 30 GHEDRO CCC(CC)n1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593352509 859535148 /nfs/dbraw/zinc/53/51/48/859535148.db2.gz DEVZVUUACNRTEC-UHFFFAOYSA-N 1 0 379.508 3.510 20 30 GHEDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352892 859536627 /nfs/dbraw/zinc/53/66/27/859536627.db2.gz GWZBZUMBRJLVPB-WOJBJXKFSA-N 1 0 379.529 3.813 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCOC3CCCCCC3)CC2)c1 ZINC000593348798 859539287 /nfs/dbraw/zinc/53/92/87/859539287.db2.gz JGOAENGLYYBFEF-UHFFFAOYSA-N 1 0 398.551 3.561 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(OC(F)F)cc3)CC2)c1 ZINC000593354064 859551068 /nfs/dbraw/zinc/55/10/68/859551068.db2.gz WHXQYBZZMOEEQW-UHFFFAOYSA-N 1 0 385.414 3.554 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1)C1CC1 ZINC000764677023 859564813 /nfs/dbraw/zinc/56/48/13/859564813.db2.gz QMGQXNCHKOXSII-UHFFFAOYSA-N 1 0 398.890 3.964 20 30 GHEDRO Cc1ccc(CC[C@@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593356711 859574231 /nfs/dbraw/zinc/57/42/31/859574231.db2.gz LSSDAEIDTIQRBI-QGZVFWFLSA-N 1 0 394.519 3.745 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000611051281 859590599 /nfs/dbraw/zinc/59/05/99/859590599.db2.gz CWZQINYRLUKOOG-HSZRJFAPSA-N 1 0 394.563 3.642 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)c3cc4ccccc4n3CC#N)CC2)CC1 ZINC000611058779 859591434 /nfs/dbraw/zinc/59/14/34/859591434.db2.gz ZRABSKLHBSBDPV-UHFFFAOYSA-N 1 0 378.520 3.938 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1C#N ZINC000611128272 859615496 /nfs/dbraw/zinc/61/54/96/859615496.db2.gz KADPYNIVIXROGN-UGKGYDQZSA-N 1 0 378.472 3.945 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560661 881442500 /nfs/dbraw/zinc/44/25/00/881442500.db2.gz YNOAMAFKDZZFJJ-NRFANRHFSA-N 1 0 382.483 3.586 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000611227963 859660622 /nfs/dbraw/zinc/66/06/22/859660622.db2.gz JHLZAUYMQWLZLF-UHFFFAOYSA-N 1 0 380.536 3.990 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000483882240 859675983 /nfs/dbraw/zinc/67/59/83/859675983.db2.gz HMMKOLNMUBCDMZ-UHFFFAOYSA-N 1 0 398.595 3.712 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069802775 859682486 /nfs/dbraw/zinc/68/24/86/859682486.db2.gz CHQWHLKWSQILHP-NRFANRHFSA-N 1 0 375.516 3.769 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1-c1ccccn1 ZINC000765012694 859727083 /nfs/dbraw/zinc/72/70/83/859727083.db2.gz ORLOCVLSJWFLII-GOSISDBHSA-N 1 0 398.580 3.570 20 30 GHEDRO C[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000611360735 859728182 /nfs/dbraw/zinc/72/81/82/859728182.db2.gz BMEQZCKQPHTGMK-QGZVFWFLSA-N 1 0 376.504 3.755 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000764999694 859729210 /nfs/dbraw/zinc/72/92/10/859729210.db2.gz LIWXJJVKGVKRAF-TZIWHRDSSA-N 1 0 376.504 3.590 20 30 GHEDRO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611386099 859730615 /nfs/dbraw/zinc/73/06/15/859730615.db2.gz CJQCYQYXABMDMX-ZDUSSCGKSA-N 1 0 399.516 3.957 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000611390730 859733998 /nfs/dbraw/zinc/73/39/98/859733998.db2.gz QRRBCGJTLILUEI-QFIPXVFZSA-N 1 0 377.463 3.969 20 30 GHEDRO Cc1cccc([C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)c1 ZINC000611390615 859734128 /nfs/dbraw/zinc/73/41/28/859734128.db2.gz LAHXERUJLFMMEP-ZEQRLZLVSA-N 1 0 375.516 3.907 20 30 GHEDRO C=CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483978228 859738791 /nfs/dbraw/zinc/73/87/91/859738791.db2.gz KDFFSSVZKDGTLE-IBGZPJMESA-N 1 0 399.502 3.906 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000611391207 859741392 /nfs/dbraw/zinc/74/13/92/859741392.db2.gz BIQYISWFVHZLBT-YLJYHZDGSA-N 1 0 390.405 3.984 20 30 GHEDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)CC2 ZINC000597704338 859752786 /nfs/dbraw/zinc/75/27/86/859752786.db2.gz UFWAUNICJZXYRV-UHFFFAOYSA-N 1 0 394.441 3.699 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(OCc3ccccc3C#N)cc1)C2 ZINC000597715571 859760284 /nfs/dbraw/zinc/76/02/84/859760284.db2.gz MUBKVKDOKOAARM-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1c(C)nn(C)c1C ZINC000543455829 859769401 /nfs/dbraw/zinc/76/94/01/859769401.db2.gz DFSDGYBPZOTGHQ-HXUWFJFHSA-N 1 0 381.524 3.641 20 30 GHEDRO N#CC1(NC(=O)CCc2cncc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000765097938 859785526 /nfs/dbraw/zinc/78/55/26/859785526.db2.gz DFVYXQJTZNCSBB-UHFFFAOYSA-N 1 0 398.510 3.842 20 30 GHEDRO Cn1cc(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611518835 859791628 /nfs/dbraw/zinc/79/16/28/859791628.db2.gz VISXFGRVPXZVRR-QHCPKHFHSA-N 1 0 385.515 3.665 20 30 GHEDRO C=CCOCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611543875 859805516 /nfs/dbraw/zinc/80/55/16/859805516.db2.gz CLTLWGTYGKAYFJ-UHFFFAOYSA-N 1 0 378.432 3.740 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1C ZINC000597859897 859876828 /nfs/dbraw/zinc/87/68/28/859876828.db2.gz ZYPXZNDQHAAOEA-LJQANCHMSA-N 1 0 393.535 3.683 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000895747251 859893920 /nfs/dbraw/zinc/89/39/20/859893920.db2.gz SIXIGLOSMXWOHP-UHFFFAOYSA-N 1 0 380.439 3.878 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)c3cc(O)cc(C#N)c3)sc2c1)C1CC1 ZINC000598030886 860012277 /nfs/dbraw/zinc/01/22/77/860012277.db2.gz VWDZQJSTPUKSDP-UHFFFAOYSA-N 1 0 378.457 3.720 20 30 GHEDRO CCCN(C[C@H]1CCCCO1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511144 860069992 /nfs/dbraw/zinc/06/99/92/860069992.db2.gz IHOWNBYNZGXMNU-JOCHJYFZSA-N 1 0 398.551 3.513 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000602548904 860095979 /nfs/dbraw/zinc/09/59/79/860095979.db2.gz WSMQTCXVCPJHMZ-HOTGVXAUSA-N 1 0 392.341 3.716 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000092660625 860098848 /nfs/dbraw/zinc/09/88/48/860098848.db2.gz CSSXJNBFKKNLHR-GOSISDBHSA-N 1 0 377.488 3.615 20 30 GHEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCCC[C@H]12 ZINC000593514421 860103777 /nfs/dbraw/zinc/10/37/77/860103777.db2.gz WVWUFDWVYFEILA-YHYVQYDKSA-N 1 0 380.536 3.743 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC000602555355 860108166 /nfs/dbraw/zinc/10/81/66/860108166.db2.gz LNOQTOMJMJJRFU-LSDHHAIUSA-N 1 0 384.705 3.787 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000598195951 860140144 /nfs/dbraw/zinc/14/01/44/860140144.db2.gz XRPSVQKEDZFSCI-QFIPXVFZSA-N 1 0 393.506 3.750 20 30 GHEDRO CC(C)(C)CC(=O)N1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092854096 860147577 /nfs/dbraw/zinc/14/75/77/860147577.db2.gz DQVLLCYVGADNGO-UHFFFAOYSA-N 1 0 398.551 3.660 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3c4ccccc4ncc3[N+](=O)[O-])CC2)c1 ZINC000593518254 860160154 /nfs/dbraw/zinc/16/01/54/860160154.db2.gz WFARCZXKRNLVRO-UHFFFAOYSA-N 1 0 387.443 3.513 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(OC)c1 ZINC000557021552 881506224 /nfs/dbraw/zinc/50/62/24/881506224.db2.gz CZECFYXKTSUAJK-CTNGQTDRSA-N 1 0 385.479 3.792 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000602736246 860244237 /nfs/dbraw/zinc/24/42/37/860244237.db2.gz OOHVUYPDJPBWPE-QRVDHSFSSA-N 1 0 375.310 3.776 20 30 GHEDRO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395042 881519761 /nfs/dbraw/zinc/51/97/61/881519761.db2.gz GNWIRCPCOPBHTG-KPRXVCGWSA-N 1 0 397.519 3.906 20 30 GHEDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727830850 860284228 /nfs/dbraw/zinc/28/42/28/860284228.db2.gz RAPOOWODWNYWDG-GOSISDBHSA-N 1 0 386.455 3.841 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)nc1 ZINC000602908173 860342435 /nfs/dbraw/zinc/34/24/35/860342435.db2.gz AKBXPPBKFSOXPN-UHFFFAOYSA-N 1 0 386.858 3.954 20 30 GHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)sc2nccc(C)c12 ZINC000508968155 860344012 /nfs/dbraw/zinc/34/40/12/860344012.db2.gz VBAPLXXGCMPXQP-UHFFFAOYSA-N 1 0 392.528 3.989 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)CC1 ZINC000728005677 860350466 /nfs/dbraw/zinc/35/04/66/860350466.db2.gz CUUGFPXCHVLSSM-UHFFFAOYSA-N 1 0 380.463 3.997 20 30 GHEDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 ZINC000602912213 860363376 /nfs/dbraw/zinc/36/33/76/860363376.db2.gz MKGFNPKDQQZHKQ-CVEARBPZSA-N 1 0 380.467 3.538 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000329457419 860365698 /nfs/dbraw/zinc/36/56/98/860365698.db2.gz QQZQTUXJRHGHAR-DYESRHJHSA-N 1 0 376.460 3.908 20 30 GHEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCO1 ZINC000598538534 860382201 /nfs/dbraw/zinc/38/22/01/860382201.db2.gz AVJGVCSMBGJXSO-LJQANCHMSA-N 1 0 393.487 3.533 20 30 GHEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1(C)C ZINC001170398564 881531935 /nfs/dbraw/zinc/53/19/35/881531935.db2.gz FIFCQMOMSQOADR-GQWLDOHISA-N 1 0 394.519 3.553 20 30 GHEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CCO1 ZINC000665437100 860384615 /nfs/dbraw/zinc/38/46/15/860384615.db2.gz WBAOMGDRAHVOIP-HXUWFJFHSA-N 1 0 397.544 3.722 20 30 GHEDRO C=C1CCC(C(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC000896139935 860415353 /nfs/dbraw/zinc/41/53/53/860415353.db2.gz MFQUMKNYXVHZQX-UHFFFAOYSA-N 1 0 386.536 3.539 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c2ccccc2)cc1OC ZINC000598603651 860431137 /nfs/dbraw/zinc/43/11/37/860431137.db2.gz XYPROZANJWXLRB-UXHICEINSA-N 1 0 382.504 3.878 20 30 GHEDRO CC(C)c1[nH+]c(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c2ccccn21 ZINC000593571253 860439785 /nfs/dbraw/zinc/43/97/85/860439785.db2.gz QTOLNZORTZIPEU-UHFFFAOYSA-N 1 0 390.491 3.517 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000329879569 860449510 /nfs/dbraw/zinc/44/95/10/860449510.db2.gz MKLCUXBWDUIVAK-GPMSIDNRSA-N 1 0 378.476 3.691 20 30 GHEDRO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CC[C@H](C)C1 ZINC000484895917 860454642 /nfs/dbraw/zinc/45/46/42/860454642.db2.gz QQVBUOJFDKNCOI-FUHWJXTLSA-N 1 0 377.916 3.724 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cc(Cl)ccc1OC(F)F ZINC001168552295 860475596 /nfs/dbraw/zinc/47/55/96/860475596.db2.gz COPMPQKKALTFHF-TZMCWYRMSA-N 1 0 388.842 3.663 20 30 GHEDRO CC(=O)N1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000598680056 860498854 /nfs/dbraw/zinc/49/88/54/860498854.db2.gz RVJQFYSEIVAXJM-GRERDSQWSA-N 1 0 390.487 3.731 20 30 GHEDRO CC(C)(C[NH3+])C1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000904541438 860501408 /nfs/dbraw/zinc/50/14/08/860501408.db2.gz ZIKJVGFUAPCEBF-INIZCTEOSA-N 1 0 382.430 3.568 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000552425160 860526760 /nfs/dbraw/zinc/52/67/60/860526760.db2.gz HBOKVUCOWGZFRU-DNQXCXABSA-N 1 0 392.499 3.547 20 30 GHEDRO COc1cccc([C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c2cc(F)ccc2OC)c1 ZINC000598720373 860527879 /nfs/dbraw/zinc/52/78/79/860527879.db2.gz OLGSQPGGJZYKII-UWJYYQICSA-N 1 0 386.467 3.823 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]Cc3cccc(OCCCC#N)c3)[C@@H]2C1 ZINC000922787290 860592879 /nfs/dbraw/zinc/59/28/79/860592879.db2.gz DRSUPNOEXAYDLA-OWZKRDHZSA-N 1 0 385.508 3.572 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C(F)F)ccc1F ZINC000598815160 860596874 /nfs/dbraw/zinc/59/68/74/860596874.db2.gz NLTQDKKFKCIDQM-UHFFFAOYSA-N 1 0 375.394 3.839 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000098023888 860698155 /nfs/dbraw/zinc/69/81/55/860698155.db2.gz DHMJLUBRXGQKKU-UHFFFAOYSA-N 1 0 398.551 3.932 20 30 GHEDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000603407427 860700004 /nfs/dbraw/zinc/70/00/04/860700004.db2.gz SBONFDQHTDIIQU-UHFFFAOYSA-N 1 0 393.535 3.802 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000593693097 860865859 /nfs/dbraw/zinc/86/58/59/860865859.db2.gz OWQDIYNOZPYYFH-XBXARRHUSA-N 1 0 376.460 3.734 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(SC)cnn2-c2ccccc2)CC1 ZINC000120413487 881588850 /nfs/dbraw/zinc/58/88/50/881588850.db2.gz VAAHKISKNGXZFH-UHFFFAOYSA-N 1 0 385.537 3.756 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168528667 860926742 /nfs/dbraw/zinc/92/67/42/860926742.db2.gz NHNIKSJNJSSJRM-HRCADAONSA-N 1 0 391.478 3.557 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CNC(=O)c1ccsc1)c1ccccc1O2 ZINC000329014102 860949205 /nfs/dbraw/zinc/94/92/05/860949205.db2.gz POSXFOOVGVAEQU-KRWDZBQOSA-N 1 0 399.516 3.997 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cccnc1-n1ccnc1 ZINC000170912440 860977888 /nfs/dbraw/zinc/97/78/88/860977888.db2.gz GDENOSUWNWELDB-UHFFFAOYSA-N 1 0 376.508 3.611 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)nn1-c1cccc(C#N)c1 ZINC000509091953 860980405 /nfs/dbraw/zinc/98/04/05/860980405.db2.gz DGKNOYPIBNXPLI-UHFFFAOYSA-N 1 0 393.535 3.637 20 30 GHEDRO CCC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H]1CCCCO1 ZINC000730261380 860981789 /nfs/dbraw/zinc/98/17/89/860981789.db2.gz IRDHZNXBARNOHZ-QZTJIDSGSA-N 1 0 378.476 3.505 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CCOCC1 ZINC000599255950 860987828 /nfs/dbraw/zinc/98/78/28/860987828.db2.gz GFSACCWVQVOVSY-JTHBVZDNSA-N 1 0 376.500 3.705 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)cc1OC ZINC000623410181 861017849 /nfs/dbraw/zinc/01/78/49/861017849.db2.gz FOPPFBTWVHBTJD-UHFFFAOYSA-N 1 0 396.959 3.892 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000509100186 861040365 /nfs/dbraw/zinc/04/03/65/861040365.db2.gz YWLPYIUELLTWBE-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000599300318 861042656 /nfs/dbraw/zinc/04/26/56/861042656.db2.gz WLTAKYNZBKACRC-AQNXPRMDSA-N 1 0 378.557 3.508 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)c2ccc(F)cc2)cc1 ZINC000599328518 861068400 /nfs/dbraw/zinc/06/84/00/861068400.db2.gz ZMHIYJYYKRSIQO-IRLDBZIGSA-N 1 0 398.478 3.585 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000599347670 861083679 /nfs/dbraw/zinc/08/36/79/861083679.db2.gz HSRGSVOQSOFTKA-XJKSGUPXSA-N 1 0 380.366 3.547 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000599350549 861088825 /nfs/dbraw/zinc/08/88/25/861088825.db2.gz TVMXFTGSRWVNPJ-OXQOHEQNSA-N 1 0 395.478 3.712 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(C)(C)C ZINC000599354430 861097996 /nfs/dbraw/zinc/09/79/96/861097996.db2.gz VOUJKTKFTFWDDI-VQTJNVASSA-N 1 0 388.552 3.758 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000329201619 861137306 /nfs/dbraw/zinc/13/73/06/861137306.db2.gz VRJIKHDWBSLSRY-NRFANRHFSA-N 1 0 395.551 3.730 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)cc1OC ZINC000623534211 861145742 /nfs/dbraw/zinc/14/57/42/861145742.db2.gz CQZLJSKJZPBKLO-ZHALLVOQSA-N 1 0 391.899 3.618 20 30 GHEDRO CC1(c2cccc(Cl)c2)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599389923 861154189 /nfs/dbraw/zinc/15/41/89/861154189.db2.gz BRLUOKCJCATUQG-IBGZPJMESA-N 1 0 376.928 3.765 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000161702453 861178607 /nfs/dbraw/zinc/17/86/07/861178607.db2.gz VEHPRMFOLUVOIX-FQEVSTJZSA-N 1 0 391.515 3.845 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000329234414 861180222 /nfs/dbraw/zinc/18/02/22/861180222.db2.gz HTBNZJPUIAORBC-WBVHZDCISA-N 1 0 392.931 3.826 20 30 GHEDRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1C ZINC000609195558 881625461 /nfs/dbraw/zinc/62/54/61/881625461.db2.gz UVZKEOGKBWAFRY-NRFANRHFSA-N 1 0 394.515 3.767 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Br)cn2)ccc1OC ZINC000733798332 863190609 /nfs/dbraw/zinc/19/06/09/863190609.db2.gz QBYSFVBSOMXCNB-MRXNPFEDSA-N 1 0 390.281 3.823 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000733801545 863193024 /nfs/dbraw/zinc/19/30/24/863193024.db2.gz JAJWIMXRAGEFPJ-MJGOQNOKSA-N 1 0 386.540 3.677 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(C[NH+](CC)CC)CC2)c1 ZINC000733851520 863218013 /nfs/dbraw/zinc/21/80/13/863218013.db2.gz BMJBFAATIDZLAA-HXUWFJFHSA-N 1 0 386.540 3.631 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000160135426 863341327 /nfs/dbraw/zinc/34/13/27/863341327.db2.gz LDJZCYSCOOWDIL-LJQANCHMSA-N 1 0 381.476 3.570 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000182886275 863394093 /nfs/dbraw/zinc/39/40/93/863394093.db2.gz VLUVIAGITHPWFT-JOCHJYFZSA-N 1 0 385.552 3.531 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000281914322 863482095 /nfs/dbraw/zinc/48/20/95/863482095.db2.gz GSGDSSCFYWCGBK-ZWKOTPCHSA-N 1 0 383.319 3.984 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000593961714 863513161 /nfs/dbraw/zinc/51/31/61/863513161.db2.gz KFPKLUDQKUITHC-LJQANCHMSA-N 1 0 375.516 3.560 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000149906711 863565614 /nfs/dbraw/zinc/56/56/14/863565614.db2.gz OWSKKONMWBQRQI-UHFFFAOYSA-N 1 0 393.535 3.683 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000593974310 863589693 /nfs/dbraw/zinc/58/96/93/863589693.db2.gz VNGJNCFJFSVWRO-NRFANRHFSA-N 1 0 397.906 3.763 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccccc3CC#N)cc2F)CC1 ZINC000776894887 881686606 /nfs/dbraw/zinc/68/66/06/881686606.db2.gz JXUMNYQCMTWGCP-UHFFFAOYSA-N 1 0 394.494 3.603 20 30 GHEDRO N#Cc1ccsc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000522916028 863717853 /nfs/dbraw/zinc/71/78/53/863717853.db2.gz FUOLHIFCUDQNTJ-UHFFFAOYSA-N 1 0 389.908 3.546 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000733902818 863845336 /nfs/dbraw/zinc/84/53/36/863845336.db2.gz AEYONNVECCKYEX-UHFFFAOYSA-N 1 0 377.488 3.593 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000172788176 863967198 /nfs/dbraw/zinc/96/71/98/863967198.db2.gz IYLKJAGRTCAXOX-SFHVURJKSA-N 1 0 385.508 3.658 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[NH+]1CCCCC1 ZINC000734122286 864010241 /nfs/dbraw/zinc/01/02/41/864010241.db2.gz CAKIMXOUROKTLW-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO CCc1cnc(CNC(NCc2nc3cc(Cl)ccc3s2)=[NH+]C)s1 ZINC000262424549 864075810 /nfs/dbraw/zinc/07/58/10/864075810.db2.gz RKGKEISMQQWFOP-UHFFFAOYSA-N 1 0 379.942 3.834 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734281806 864117677 /nfs/dbraw/zinc/11/76/77/864117677.db2.gz KMPQCADUAIQHDU-INIZCTEOSA-N 1 0 397.972 3.743 20 30 GHEDRO CC(C)N1C(=O)C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000480243438 864306948 /nfs/dbraw/zinc/30/69/48/864306948.db2.gz DRRIZCIWPMTXKM-QUCCMNQESA-N 1 0 388.874 3.529 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000920137654 881751493 /nfs/dbraw/zinc/75/14/93/881751493.db2.gz MBCJGNCVNNCRSO-GOSISDBHSA-N 1 0 394.471 3.796 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000554477863 864421410 /nfs/dbraw/zinc/42/14/10/864421410.db2.gz IIJUJZHQJAZHBU-UHFFFAOYSA-N 1 0 375.561 3.816 20 30 GHEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000272208320 881775571 /nfs/dbraw/zinc/77/55/71/881775571.db2.gz KFOUWUZOQABHRT-ZDUSSCGKSA-N 1 0 376.428 3.894 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(CC)cc1 ZINC000063440163 864767582 /nfs/dbraw/zinc/76/75/82/864767582.db2.gz GMOWXATWBVGASG-UHFFFAOYSA-O 1 0 398.552 3.652 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000025933848 864809815 /nfs/dbraw/zinc/80/98/15/864809815.db2.gz OPSPUJPRSLGQMQ-UHFFFAOYSA-N 1 0 391.559 3.851 20 30 GHEDRO COc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c(C(F)(F)F)c1 ZINC000262475492 864838457 /nfs/dbraw/zinc/83/84/57/864838457.db2.gz HGMVYDRDNZYQTA-INIZCTEOSA-N 1 0 379.382 3.642 20 30 GHEDRO COC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1 ZINC000554747324 864847464 /nfs/dbraw/zinc/84/74/64/864847464.db2.gz SXSHSXTZKWARRC-WOJBJXKFSA-N 1 0 383.879 3.684 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)C(C)C ZINC000480642113 865004084 /nfs/dbraw/zinc/00/40/84/865004084.db2.gz CCSLGCIJXLRDKW-VQTJNVASSA-N 1 0 399.535 3.960 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000554847615 865022445 /nfs/dbraw/zinc/02/24/45/865022445.db2.gz BBSJHGXIRODKKN-CVEARBPZSA-N 1 0 385.895 3.788 20 30 GHEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCCC2)c1)N[C@H]1CCOc2ccccc21 ZINC000262495738 865071345 /nfs/dbraw/zinc/07/13/45/865071345.db2.gz JYTOAQDXGOQNIO-FQEVSTJZSA-N 1 0 392.503 3.743 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000173815094 865115846 /nfs/dbraw/zinc/11/58/46/865115846.db2.gz ZDVLYJAVOWEBOZ-HXUWFJFHSA-N 1 0 378.520 3.770 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000736357313 865187611 /nfs/dbraw/zinc/18/76/11/865187611.db2.gz SORPECKMUYWMIE-LJQANCHMSA-N 1 0 398.551 3.764 20 30 GHEDRO CC(C)Oc1cccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063750524 865305488 /nfs/dbraw/zinc/30/54/88/865305488.db2.gz LNYHRASZYSTNCJ-UHFFFAOYSA-N 1 0 379.504 3.872 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2ccccc2OC)CC1 ZINC000171764693 865361680 /nfs/dbraw/zinc/36/16/80/865361680.db2.gz KOXXUFDEKBLWLO-JOCHJYFZSA-N 1 0 379.504 3.734 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)[NH+](C)C)c1 ZINC000594212619 865394442 /nfs/dbraw/zinc/39/44/42/865394442.db2.gz GSLJQQRNMPQHDS-OAQYLSRUSA-N 1 0 392.503 3.548 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)c1cccc(OC)c1 ZINC000594208271 865405246 /nfs/dbraw/zinc/40/52/46/865405246.db2.gz GANNNYHWIZLCAX-JOCHJYFZSA-N 1 0 392.503 3.675 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000172026402 865452122 /nfs/dbraw/zinc/45/21/22/865452122.db2.gz AUIHTMFSOZLMML-NRFANRHFSA-N 1 0 396.922 3.865 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]2C[NH+]2CCCCC2)nc1-c1ccco1 ZINC000738100390 865487039 /nfs/dbraw/zinc/48/70/39/865487039.db2.gz UVAMBMDBYWTDEC-QGZVFWFLSA-N 1 0 387.553 3.768 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CCNC(=O)c2ccccc2Cl)ccc1OC ZINC000172122709 865496044 /nfs/dbraw/zinc/49/60/44/865496044.db2.gz CHYGDTNJRDTKOL-UHFFFAOYSA-N 1 0 388.895 3.823 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)N2Cc3ccc(C#N)cc3C2)C[N@@H+]1Cc1ccccc1 ZINC000594234752 865502163 /nfs/dbraw/zinc/50/21/63/865502163.db2.gz XHFGJUXMDRAXLJ-GHTZIAJQSA-N 1 0 388.515 3.884 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000172217660 865526328 /nfs/dbraw/zinc/52/63/28/865526328.db2.gz LWHPWFGEHMSCDS-UHFFFAOYSA-N 1 0 375.472 3.517 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738518135 865549390 /nfs/dbraw/zinc/54/93/90/865549390.db2.gz OIJXRLNMPMAEEJ-JOCHJYFZSA-N 1 0 379.504 3.682 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000508478946 865551413 /nfs/dbraw/zinc/55/14/13/865551413.db2.gz VLTVTIYPDOXCBF-UHFFFAOYSA-N 1 0 383.540 3.543 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)[NH+](C)C)cc1 ZINC000594245008 865577899 /nfs/dbraw/zinc/57/78/99/865577899.db2.gz WYGJSDPJNHZWCB-HXUWFJFHSA-N 1 0 380.517 3.608 20 30 GHEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1F ZINC000594251010 865606984 /nfs/dbraw/zinc/60/69/84/865606984.db2.gz SWOHXTSSBHYLHS-OAQYLSRUSA-N 1 0 382.483 3.922 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000555243311 865778280 /nfs/dbraw/zinc/77/82/80/865778280.db2.gz PCLFJRWWPJSXFV-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO CCN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000608877202 865784033 /nfs/dbraw/zinc/78/40/33/865784033.db2.gz RUAMMSVREGWQFR-XMSQKQJNSA-N 1 0 376.504 3.654 20 30 GHEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000555261275 865794321 /nfs/dbraw/zinc/79/43/21/865794321.db2.gz SVAGOFBWKYVRKO-UHFFFAOYSA-N 1 0 385.581 3.766 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000608900464 865803480 /nfs/dbraw/zinc/80/34/80/865803480.db2.gz MIVGFJMQZMCSHK-UHFFFAOYSA-N 1 0 385.383 3.563 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000608915309 865813064 /nfs/dbraw/zinc/81/30/64/865813064.db2.gz UFAVKMVYJWDZGF-GOSISDBHSA-N 1 0 381.524 3.541 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000739991905 865822028 /nfs/dbraw/zinc/82/20/28/865822028.db2.gz SXXOJPPDYPCTLM-QFIPXVFZSA-N 1 0 377.488 3.548 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNc2cccc(C#N)c2)cc1 ZINC000494561382 881912450 /nfs/dbraw/zinc/91/24/50/881912450.db2.gz NNUINTWBQXMOTH-SFHVURJKSA-N 1 0 376.504 3.661 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609017862 865893509 /nfs/dbraw/zinc/89/35/09/865893509.db2.gz IWZOYKYSWJHJDA-PGRDOPGGSA-N 1 0 377.488 3.669 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1C ZINC000609035974 865912463 /nfs/dbraw/zinc/91/24/63/865912463.db2.gz MDGQAZOVXLFTHG-UHFFFAOYSA-N 1 0 393.535 3.637 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 ZINC000175060376 865969875 /nfs/dbraw/zinc/96/98/75/865969875.db2.gz ILOGVKMNTIEGRJ-UHFFFAOYSA-N 1 0 381.480 3.694 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000740737928 865976074 /nfs/dbraw/zinc/97/60/74/865976074.db2.gz ZSHWJNLTLKGUOQ-DAXSKMNVSA-N 1 0 384.829 3.976 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000740748420 865993743 /nfs/dbraw/zinc/99/37/43/865993743.db2.gz ICNVMGIDJPZXFE-UHFFFAOYSA-N 1 0 383.319 3.756 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508488551 866148180 /nfs/dbraw/zinc/14/81/80/866148180.db2.gz KDNQKKXRAZJOFE-GOSISDBHSA-N 1 0 392.551 3.704 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508492943 866309010 /nfs/dbraw/zinc/30/90/10/866309010.db2.gz XJRZLPTXEBPQMA-OXQOHEQNSA-N 1 0 381.499 3.723 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000741337310 866426327 /nfs/dbraw/zinc/42/63/27/866426327.db2.gz GFRAFPXBVOANOM-UHFFFAOYSA-N 1 0 379.460 3.586 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC000857069833 881981775 /nfs/dbraw/zinc/98/17/75/881981775.db2.gz VFZLVANYPRLDAA-RADWXHQJSA-N 1 0 385.508 3.857 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)ccc1OC ZINC000857076924 881991122 /nfs/dbraw/zinc/99/11/22/881991122.db2.gz YYEJXOBGDIQXND-UYAOXDASSA-N 1 0 393.487 3.964 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000049798636 866601148 /nfs/dbraw/zinc/60/11/48/866601148.db2.gz FYKOSVYYLUMHJC-QFIPXVFZSA-N 1 0 394.519 3.791 20 30 GHEDRO CC(C)(C)Oc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cn1 ZINC000305844572 866656168 /nfs/dbraw/zinc/65/61/68/866656168.db2.gz SFWJQFJJFYFFJT-UHFFFAOYSA-N 1 0 396.413 3.762 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)cc1 ZINC000741695646 866709299 /nfs/dbraw/zinc/70/92/99/866709299.db2.gz JCIDVMLQJIVSHF-UHFFFAOYSA-N 1 0 378.472 3.734 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ncc(Cl)s1 ZINC000478838383 866738513 /nfs/dbraw/zinc/73/85/13/866738513.db2.gz GGWDRYPAOLJMLY-UHFFFAOYSA-N 1 0 383.974 3.895 20 30 GHEDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1-c1ccccc1 ZINC000741930021 866915775 /nfs/dbraw/zinc/91/57/75/866915775.db2.gz WAOHCWSFQYDEIZ-UHFFFAOYSA-N 1 0 386.499 3.768 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3F)C1)CC2 ZINC000479058893 867075552 /nfs/dbraw/zinc/07/55/52/867075552.db2.gz KPINKSBAVKGFMX-XLIONFOSSA-N 1 0 395.478 3.960 20 30 GHEDRO CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000523337709 867106743 /nfs/dbraw/zinc/10/67/43/867106743.db2.gz SVAICUGFTNHFIT-AVRDEDQJSA-N 1 0 376.504 3.775 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(OCC#N)cc1 ZINC000742355099 867228675 /nfs/dbraw/zinc/22/86/75/867228675.db2.gz UPSYNNPLIGDGLO-UHFFFAOYSA-N 1 0 397.548 3.687 20 30 GHEDRO COc1ccc(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)cc1C#N ZINC000742369675 867263953 /nfs/dbraw/zinc/26/39/53/867263953.db2.gz CRZGRRRWDAHYOB-UHFFFAOYSA-N 1 0 398.938 3.522 20 30 GHEDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1C#N ZINC000742372043 867266035 /nfs/dbraw/zinc/26/60/35/867266035.db2.gz OUNQWHAWJZZPLZ-HSZRJFAPSA-N 1 0 399.494 3.584 20 30 GHEDRO CCC(CC)n1nccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479220770 867376531 /nfs/dbraw/zinc/37/65/31/867376531.db2.gz SCPOBULEZUJQCD-UHFFFAOYSA-N 1 0 379.508 3.532 20 30 GHEDRO Cc1c(Cl)cccc1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479255162 867434000 /nfs/dbraw/zinc/43/40/00/867434000.db2.gz XRZIIINITXMMNO-UHFFFAOYSA-N 1 0 397.906 3.702 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508512262 867443024 /nfs/dbraw/zinc/44/30/24/867443024.db2.gz YRYUZOOTQUXIDO-OAQYLSRUSA-N 1 0 379.552 3.704 20 30 GHEDRO Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnc2ccccc12 ZINC000479341214 867624248 /nfs/dbraw/zinc/62/42/48/867624248.db2.gz JCTDAPSFMWDZPX-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000479400060 867709004 /nfs/dbraw/zinc/70/90/04/867709004.db2.gz ZYVINQKWZLPDOZ-IBGZPJMESA-N 1 0 389.569 3.916 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000553672353 867892867 /nfs/dbraw/zinc/89/28/67/867892867.db2.gz RVSAYBLHPHDVHI-JOCHJYFZSA-N 1 0 397.563 3.630 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000743195620 867941228 /nfs/dbraw/zinc/94/12/28/867941228.db2.gz ZBXDHFRBBHQIHS-LJQANCHMSA-N 1 0 395.478 3.524 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000743199165 867949784 /nfs/dbraw/zinc/94/97/84/867949784.db2.gz WOTDFOFUZNIKRP-FQEVSTJZSA-N 1 0 381.451 3.796 20 30 GHEDRO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCCC3(C2)CCCCCC3)C1=O ZINC000743385451 868140373 /nfs/dbraw/zinc/14/03/73/868140373.db2.gz HHFDCHPBFNWYTJ-UHFFFAOYSA-N 1 0 394.519 3.716 20 30 GHEDRO C=C[C@H](CC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000457385259 868208478 /nfs/dbraw/zinc/20/84/78/868208478.db2.gz SDTMKSVYHAPKNQ-BSIFCXSSSA-N 1 0 382.479 3.837 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000743489964 868235664 /nfs/dbraw/zinc/23/56/64/868235664.db2.gz NNQBZUCYUVNVPV-UHFFFAOYSA-N 1 0 398.510 3.757 20 30 GHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000544401061 868288670 /nfs/dbraw/zinc/28/86/70/868288670.db2.gz WQALFLAZCFNWIV-RBUKOAKNSA-N 1 0 392.341 3.591 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000553848733 868356241 /nfs/dbraw/zinc/35/62/41/868356241.db2.gz NCBFBALNXDUBTD-HXUWFJFHSA-N 1 0 383.492 3.789 20 30 GHEDRO COc1cc2c(cc1C[NH2+][C@H]1CCCN(c3ccc(C#N)cc3F)C1)O[C@H](C)C2 ZINC000553901569 868417903 /nfs/dbraw/zinc/41/79/03/868417903.db2.gz MSXOKLCWMIGQNT-BEFAXECRSA-N 1 0 395.478 3.788 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000535289721 868497999 /nfs/dbraw/zinc/49/79/99/868497999.db2.gz UVUAFBSIOVWBNU-UPVQGACJSA-N 1 0 375.516 3.883 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000152128721 868580020 /nfs/dbraw/zinc/58/00/20/868580020.db2.gz XLKBGWKHNTXXRZ-UHFFFAOYSA-N 1 0 394.906 3.826 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669811942 868694875 /nfs/dbraw/zinc/69/48/75/868694875.db2.gz HFRMZHSGHNPVSW-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000669813207 868742774 /nfs/dbraw/zinc/74/27/74/868742774.db2.gz RYCHEFDPJAESCN-IBGZPJMESA-N 1 0 388.519 3.744 20 30 GHEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670201657 882231549 /nfs/dbraw/zinc/23/15/49/882231549.db2.gz CRECKFYLPZRFBQ-JBACZVJFSA-N 1 0 395.551 3.630 20 30 GHEDRO CCC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)cc1 ZINC000190604129 882232252 /nfs/dbraw/zinc/23/22/52/882232252.db2.gz KTYRZJKFSUILOU-YADHBBJMSA-N 1 0 377.488 3.799 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NCc3cnc4ccc(C#N)cn34)cc2)C1 ZINC000744446822 868849021 /nfs/dbraw/zinc/84/90/21/868849021.db2.gz DCUQVZOEBWQAJQ-QGZVFWFLSA-N 1 0 375.476 3.539 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1C ZINC000262802344 882241560 /nfs/dbraw/zinc/24/15/60/882241560.db2.gz RDSQNISIVFCFPK-UHFFFAOYSA-N 1 0 399.438 3.653 20 30 GHEDRO C=CCC[C@H](NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000535520226 868893418 /nfs/dbraw/zinc/89/34/18/868893418.db2.gz OZBFFZNPYLQNKO-ZLNRFVROSA-N 1 0 393.531 3.629 20 30 GHEDRO C=CCC[C@H](NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000535520227 868894129 /nfs/dbraw/zinc/89/41/29/868894129.db2.gz OZBFFZNPYLQNKO-ZRBLBEILSA-N 1 0 393.531 3.629 20 30 GHEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669817592 868914050 /nfs/dbraw/zinc/91/40/50/868914050.db2.gz QFFLSEMZQCMTGD-CQSZACIVSA-N 1 0 379.430 3.680 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508847389 868927011 /nfs/dbraw/zinc/92/70/11/868927011.db2.gz KPXWATQOPLQXML-UHFFFAOYSA-N 1 0 376.508 3.677 20 30 GHEDRO CC1CCC([NH+]2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)CC1 ZINC000524544200 869231928 /nfs/dbraw/zinc/23/19/28/869231928.db2.gz KIUCWCCVNWJVDR-UHFFFAOYSA-N 1 0 383.536 3.830 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445997636 869269126 /nfs/dbraw/zinc/26/91/26/869269126.db2.gz ZWNRGBHQHMWZRG-FHLIZLRMSA-N 1 0 381.442 3.939 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508855699 869397385 /nfs/dbraw/zinc/39/73/85/869397385.db2.gz IPNFKDQWIGRNLB-UHFFFAOYSA-N 1 0 395.551 3.670 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)CC1 ZINC000524750432 869494617 /nfs/dbraw/zinc/49/46/17/869494617.db2.gz QLFBGOSRROTZHR-LJQANCHMSA-N 1 0 379.508 3.552 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000746195894 870104158 /nfs/dbraw/zinc/10/41/58/870104158.db2.gz GNYCSYXNQDAULI-UHFFFAOYSA-N 1 0 385.305 3.820 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000462809713 870105963 /nfs/dbraw/zinc/10/59/63/870105963.db2.gz GXCSKTLJUPLBPG-YLJYHZDGSA-N 1 0 380.488 3.510 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000475705778 882372816 /nfs/dbraw/zinc/37/28/16/882372816.db2.gz MAYGXNJJLCXQJB-INIZCTEOSA-N 1 0 394.393 3.721 20 30 GHEDRO CC(C)[C@H](CC(F)(F)F)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000446708869 870211472 /nfs/dbraw/zinc/21/14/72/870211472.db2.gz UNTNFKOSSJBQKS-SFHVURJKSA-N 1 0 396.457 3.753 20 30 GHEDRO N#CC1(NC(=O)COc2cccc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000538694587 870315825 /nfs/dbraw/zinc/31/58/25/870315825.db2.gz XBXOESYYYJZZMN-UHFFFAOYSA-N 1 0 399.494 3.893 20 30 GHEDRO CCC[C@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001192514924 870446730 /nfs/dbraw/zinc/44/67/30/870446730.db2.gz JPMNGMZXHHTZLX-GOTSBHOMSA-N 1 0 391.515 3.759 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000248706417 870596854 /nfs/dbraw/zinc/59/68/54/870596854.db2.gz AVEVOYOQBHLFSG-PERKRYKHSA-N 1 0 398.528 3.860 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000766437336 870767157 /nfs/dbraw/zinc/76/71/57/870767157.db2.gz JYPWQPCOLFBAGP-PKOBYXMFSA-N 1 0 380.488 3.645 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168871807 870913420 /nfs/dbraw/zinc/91/34/20/870913420.db2.gz KMRAELCAXDYRKJ-AEFFLSMTSA-N 1 0 385.508 3.799 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000428804863 871039807 /nfs/dbraw/zinc/03/98/07/871039807.db2.gz NUPKDHMROBKBGE-QGZVFWFLSA-N 1 0 377.366 3.548 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)ccc1OCC(C)C ZINC000540368106 871128269 /nfs/dbraw/zinc/12/82/69/871128269.db2.gz MVWDOEAEYQRWHI-QGZVFWFLSA-N 1 0 395.503 3.569 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC001193509455 871149900 /nfs/dbraw/zinc/14/99/00/871149900.db2.gz YXVAJVIREZKREP-QGZVFWFLSA-N 1 0 375.432 3.728 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C(C)C)[C@@H]2CCOC2)c1C#N ZINC000463217490 871213096 /nfs/dbraw/zinc/21/30/96/871213096.db2.gz CYYAPPMLPFAKMJ-LJQANCHMSA-N 1 0 386.540 3.920 20 30 GHEDRO Cc1c([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)nnn1-c1cccc(Cl)c1 ZINC000539088115 871285698 /nfs/dbraw/zinc/28/56/98/871285698.db2.gz ZSCNOEIEFPQNMM-CQSZACIVSA-N 1 0 381.867 3.830 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(NC2CCN(c3ncccc3Cl)CC2)cc1C#N ZINC001169171762 871295418 /nfs/dbraw/zinc/29/54/18/871295418.db2.gz SNNXSMUKXOYONY-ZVHZXABRSA-N 1 0 382.899 3.909 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(OC)c(OC)cc1CCC#N ZINC001169173344 871296765 /nfs/dbraw/zinc/29/67/65/871296765.db2.gz DVRKNZJERZDNNW-UHFFFAOYSA-N 1 0 393.487 3.922 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000540433440 871300411 /nfs/dbraw/zinc/30/04/11/871300411.db2.gz QYFCECSWLWISFF-UHFFFAOYSA-N 1 0 391.471 3.558 20 30 GHEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000540526534 871495332 /nfs/dbraw/zinc/49/53/32/871495332.db2.gz QEKCXWVOSUBSJA-VOBQZIQPSA-N 1 0 388.920 3.972 20 30 GHEDRO Cc1ccc(C(=Nc2ccc([C@@H](CC[NH+](C)C)c3ccccn3)cc2)NO)nc1 ZINC001169412387 871497813 /nfs/dbraw/zinc/49/78/13/871497813.db2.gz YFPUIIZZAFKPAA-HXUWFJFHSA-N 1 0 389.503 3.926 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)[C@H](C)[C@@H]1OC ZINC001194090696 871498717 /nfs/dbraw/zinc/49/87/17/871498717.db2.gz KEAPCDZBGJKJTB-BWAGFHJFSA-N 1 0 385.552 3.979 20 30 GHEDRO COC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)c(F)c1 ZINC000539318981 871679846 /nfs/dbraw/zinc/67/98/46/871679846.db2.gz BHCSWCDMPFHKBI-OXQOHEQNSA-N 1 0 389.421 3.922 20 30 GHEDRO N#Cc1ccc(Cl)c(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)n1 ZINC001169613796 871707287 /nfs/dbraw/zinc/70/72/87/871707287.db2.gz OIWJXFZACKPPEO-UHFFFAOYSA-N 1 0 380.757 3.950 20 30 GHEDRO C[NH+]1CCN(c2ccc(C(=O)Nc3sc4ccccc4c3C#N)c(F)c2)CC1 ZINC001194518685 871736840 /nfs/dbraw/zinc/73/68/40/871736840.db2.gz VIEXFYRTFUJTRA-UHFFFAOYSA-N 1 0 394.475 3.916 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC001194497868 871748631 /nfs/dbraw/zinc/74/86/31/871748631.db2.gz VALUNWSEMGDTJR-MSOLQXFVSA-N 1 0 385.533 3.612 20 30 GHEDRO CC(C)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000540626501 871756184 /nfs/dbraw/zinc/75/61/84/871756184.db2.gz JGIDKJNYJKSBMI-BQIYRTECSA-N 1 0 391.479 3.546 20 30 GHEDRO C=CCOc1cccnc1C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539358945 871757175 /nfs/dbraw/zinc/75/71/75/871757175.db2.gz YMFYWILYGHQQLB-HXUWFJFHSA-N 1 0 379.504 3.631 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000776980780 882550242 /nfs/dbraw/zinc/55/02/42/882550242.db2.gz VADUGAHTXYVBSJ-DNQXCXABSA-N 1 0 387.527 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001194640708 871847081 /nfs/dbraw/zinc/84/70/81/871847081.db2.gz GVNZNHDRDHTOFQ-MOPGFXCFSA-N 1 0 384.524 3.812 20 30 GHEDRO CC[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447589900 871894722 /nfs/dbraw/zinc/89/47/22/871894722.db2.gz ZKDWVUALLFECHC-QHCPKHFHSA-N 1 0 390.531 3.728 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC001169844592 871934021 /nfs/dbraw/zinc/93/40/21/871934021.db2.gz OAFGSKPZTIIGTL-HSZRJFAPSA-N 1 0 397.588 3.662 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000618797796 872007115 /nfs/dbraw/zinc/00/71/15/872007115.db2.gz XTFPDYDNQMBGQI-GGAORHGYSA-N 1 0 390.531 3.798 20 30 GHEDRO CC(C)(CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000618804197 872013310 /nfs/dbraw/zinc/01/33/10/872013310.db2.gz DGLSFLWIMRWIRL-QFIPXVFZSA-N 1 0 388.515 3.682 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000618809618 872016416 /nfs/dbraw/zinc/01/64/16/872016416.db2.gz CYWFMLYOLOFHOA-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000093301859 872061809 /nfs/dbraw/zinc/06/18/09/872061809.db2.gz XINCPUNEUUQLOD-GOSISDBHSA-N 1 0 380.536 3.825 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NCC(F)(F)F)c1 ZINC000101534952 872070129 /nfs/dbraw/zinc/07/01/29/872070129.db2.gz XUIZOLSZVCZSOB-UHFFFAOYSA-O 1 0 393.454 3.862 20 30 GHEDRO C#CCC(C)(C)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000767057854 872217908 /nfs/dbraw/zinc/21/79/08/872217908.db2.gz PKLSYDIZBGOKEA-UHFFFAOYSA-N 1 0 389.543 3.992 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000477966551 872229076 /nfs/dbraw/zinc/22/90/76/872229076.db2.gz OTUNJSWAQRTYRK-GOTSBHOMSA-N 1 0 390.531 3.968 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1cccc(C)c1 ZINC000022791535 872309599 /nfs/dbraw/zinc/30/95/99/872309599.db2.gz GIEOAWGULPCKGD-UHFFFAOYSA-O 1 0 398.335 3.764 20 30 GHEDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000182411012 872319642 /nfs/dbraw/zinc/31/96/42/872319642.db2.gz MWLLMMIDGFNJSL-QGZVFWFLSA-N 1 0 381.476 3.615 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000022804963 872399793 /nfs/dbraw/zinc/39/97/93/872399793.db2.gz NMKPSVHIVBARST-UHFFFAOYSA-O 1 0 384.569 3.747 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1OC ZINC000093842282 872447688 /nfs/dbraw/zinc/44/76/88/872447688.db2.gz IJLYEXVPTSDHRP-FQEVSTJZSA-N 1 0 375.509 3.810 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000540927694 872479872 /nfs/dbraw/zinc/47/98/72/872479872.db2.gz LRMJEHJSCQFPED-FQEVSTJZSA-N 1 0 383.879 3.787 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@H]2C1 ZINC000540913527 872489559 /nfs/dbraw/zinc/48/95/59/872489559.db2.gz URLKMIOLQSUZIS-GCJKJVERSA-N 1 0 375.472 3.711 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)CC1 ZINC000463793435 872573949 /nfs/dbraw/zinc/57/39/49/872573949.db2.gz AFLLSSCFGMLBHN-UHFFFAOYSA-N 1 0 379.426 3.967 20 30 GHEDRO N#CC[C@H](CC(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000619441419 872630990 /nfs/dbraw/zinc/63/09/90/872630990.db2.gz BNDHWKFGFNGPEI-HXUWFJFHSA-N 1 0 377.488 3.669 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000619508439 872693966 /nfs/dbraw/zinc/69/39/66/872693966.db2.gz WJSIRSRDSSUURA-RPWUZVMVSA-N 1 0 375.516 3.552 20 30 GHEDRO N#CCC1CC[NH+](CC(=O)NCc2ccccc2COc2ccccc2)CC1 ZINC000541024779 872742022 /nfs/dbraw/zinc/74/20/22/872742022.db2.gz QCWBOEOXGHAEOF-UHFFFAOYSA-N 1 0 377.488 3.507 20 30 GHEDRO N#CC1CCC(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000619659547 872833193 /nfs/dbraw/zinc/83/31/93/872833193.db2.gz UTACYNVKSUDKQG-QTTFNEAQSA-N 1 0 394.563 3.916 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)[C@H](C)CC)cc1OC ZINC000236869914 882670156 /nfs/dbraw/zinc/67/01/56/882670156.db2.gz AXFIXIIWONNLQX-FZKQIMNGSA-N 1 0 386.330 3.909 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Cl ZINC000619753995 872965773 /nfs/dbraw/zinc/96/57/73/872965773.db2.gz LECJLAVKAPBJMN-UHFFFAOYSA-N 1 0 382.895 3.807 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619755847 872968084 /nfs/dbraw/zinc/96/80/84/872968084.db2.gz WATMQMZFQNPPST-CYBMUJFWSA-N 1 0 385.851 3.505 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc(Br)c1O ZINC000619748539 872984400 /nfs/dbraw/zinc/98/44/00/872984400.db2.gz HPXISIARQZHHKL-UHFFFAOYSA-N 1 0 381.657 3.978 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767987068 873003212 /nfs/dbraw/zinc/00/32/12/873003212.db2.gz OMTZATLLXPFERS-UHFFFAOYSA-N 1 0 380.455 3.744 20 30 GHEDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000182996902 873071064 /nfs/dbraw/zinc/07/10/64/873071064.db2.gz PCPZDBNEMBFTEL-OAHLLOKOSA-N 1 0 391.450 3.871 20 30 GHEDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000494623089 882693094 /nfs/dbraw/zinc/69/30/94/882693094.db2.gz CAQHSVLTNWHBKF-HKUYNNGSSA-N 1 0 385.533 3.632 20 30 GHEDRO Cc1ccc(C[C@]2(C)CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC001196594196 873215159 /nfs/dbraw/zinc/21/51/59/873215159.db2.gz IYPWBLCDCPVKCN-QFIPXVFZSA-N 1 0 382.529 3.738 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000768359655 873256185 /nfs/dbraw/zinc/25/61/85/873256185.db2.gz JZGHQMSUEKAUBH-FQEVSTJZSA-N 1 0 375.513 3.553 20 30 GHEDRO C[C@H](C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000464134484 873288037 /nfs/dbraw/zinc/28/80/37/873288037.db2.gz JSXRPTBMVDUTBA-FHWLQOOXSA-N 1 0 375.516 3.935 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)cc1OC ZINC000527585905 873321110 /nfs/dbraw/zinc/32/11/10/873321110.db2.gz CXWUZIQCSLCGKH-UHFFFAOYSA-N 1 0 398.503 3.864 20 30 GHEDRO CN(C)C[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC001196737483 873344696 /nfs/dbraw/zinc/34/46/96/873344696.db2.gz UVKMCPOIWUDSER-OALUTQOASA-N 1 0 378.303 3.791 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000768692043 873500862 /nfs/dbraw/zinc/50/08/62/873500862.db2.gz JBFYVQVKMXVCGL-AEFFLSMTSA-N 1 0 391.471 3.532 20 30 GHEDRO N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC001197041045 873534403 /nfs/dbraw/zinc/53/44/03/873534403.db2.gz GGEXLEWMGASERM-QHCPKHFHSA-N 1 0 389.474 3.576 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c(-c2ccccc2)n1 ZINC000527741497 873544803 /nfs/dbraw/zinc/54/48/03/873544803.db2.gz CYGPNJRHTSQDQF-QGZVFWFLSA-N 1 0 388.397 3.553 20 30 GHEDRO Cc1ccc2occ(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000527747367 873552072 /nfs/dbraw/zinc/55/20/72/873552072.db2.gz VZOZUWPISIEWDP-UHFFFAOYSA-N 1 0 387.483 3.890 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(-c2ccncc2)n1 ZINC000527751602 873557466 /nfs/dbraw/zinc/55/74/66/873557466.db2.gz YRNIXSJWAYEZGA-RZUBCFFCSA-N 1 0 389.890 3.940 20 30 GHEDRO CC(C)n1ncc2cc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)cnc21 ZINC000527812540 873598934 /nfs/dbraw/zinc/59/89/34/873598934.db2.gz RBTURRADSSKVKE-UHFFFAOYSA-N 1 0 375.476 3.679 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000768895900 873657121 /nfs/dbraw/zinc/65/71/21/873657121.db2.gz KIOKVOUIZJKJNI-UHFFFAOYSA-N 1 0 385.515 3.907 20 30 GHEDRO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000494649462 882761118 /nfs/dbraw/zinc/76/11/18/882761118.db2.gz BBCPAIKDSFOTDX-LJQANCHMSA-N 1 0 389.540 3.666 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448713667 873840041 /nfs/dbraw/zinc/84/00/41/873840041.db2.gz MFKBQISQYHPOAF-UHFFFAOYSA-N 1 0 378.314 3.563 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528032430 873897565 /nfs/dbraw/zinc/89/75/65/873897565.db2.gz AGZQFMXWTADFHU-FGZHOGPDSA-N 1 0 379.479 3.781 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1c(C)nn(C)c1C ZINC000541594887 873910139 /nfs/dbraw/zinc/91/01/39/873910139.db2.gz JMYBWWUECBODBS-LRDDRELGSA-N 1 0 385.537 3.527 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000541626273 873987520 /nfs/dbraw/zinc/98/75/20/873987520.db2.gz WTCUDUKYVDGVIO-IBGZPJMESA-N 1 0 383.495 3.985 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc2ccccc2s1 ZINC000448815724 873988978 /nfs/dbraw/zinc/98/89/78/873988978.db2.gz HVSHRCQPANUZSD-UHFFFAOYSA-N 1 0 377.513 3.906 20 30 GHEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000541632676 874002419 /nfs/dbraw/zinc/00/24/19/874002419.db2.gz JRKSQMFRZHLURW-GJZGRUSLSA-N 1 0 389.421 3.975 20 30 GHEDRO C#CC[N@@H+](CCCc1ccccc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001197768878 874034074 /nfs/dbraw/zinc/03/40/74/874034074.db2.gz KKEMOHXIZRXXGP-UHFFFAOYSA-N 1 0 386.536 3.963 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@H+](C3CCCC3)[C@H](C)C2)cc1 ZINC001197796446 874054042 /nfs/dbraw/zinc/05/40/42/874054042.db2.gz DOAUDHLRNOLAJM-WOJBJXKFSA-N 1 0 382.552 3.579 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000769529421 874136934 /nfs/dbraw/zinc/13/69/34/874136934.db2.gz AYSJWRYEADNUSY-LPHOPBHVSA-N 1 0 385.508 3.951 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](Cc1ccc(CC#N)cc1)CCO2 ZINC001198129767 874223806 /nfs/dbraw/zinc/22/38/06/874223806.db2.gz AJYMBPDTTBQIHW-UHFFFAOYSA-N 1 0 399.535 3.791 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc(C4CCCC4)s3)C2=O)cc1 ZINC000541871292 874439714 /nfs/dbraw/zinc/43/97/14/874439714.db2.gz SWZMAHFCZDBZPC-IBGZPJMESA-N 1 0 380.517 3.958 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541881965 874461969 /nfs/dbraw/zinc/46/19/69/874461969.db2.gz APOVQUDDZDGDBU-FOIQADDNSA-N 1 0 378.432 3.621 20 30 GHEDRO Cc1ccc(CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H]2CCCO2)cc1 ZINC000464776354 874470979 /nfs/dbraw/zinc/47/09/79/874470979.db2.gz NHDQKXBHALXCMC-HSZRJFAPSA-N 1 0 391.515 3.919 20 30 GHEDRO CC1(C#N)CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000449109072 874482110 /nfs/dbraw/zinc/48/21/10/874482110.db2.gz UONNZDBFFBIVOA-UHFFFAOYSA-N 1 0 378.314 3.631 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000449150581 874538342 /nfs/dbraw/zinc/53/83/42/874538342.db2.gz RRWBRRQXSJCAOT-WSGJVKOYSA-N 1 0 377.435 3.845 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000464814372 874542206 /nfs/dbraw/zinc/54/22/06/874542206.db2.gz LWCPAPJEABNMAH-UXHICEINSA-N 1 0 379.529 3.795 20 30 GHEDRO C#CCOc1ccccc1C[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000770289260 874571273 /nfs/dbraw/zinc/57/12/73/874571273.db2.gz QLIICDUWMQGPFX-SFHVURJKSA-N 1 0 399.560 3.570 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000770380763 874622165 /nfs/dbraw/zinc/62/21/65/874622165.db2.gz OLLUVCBWXFUYJU-IEBWSBKVSA-N 1 0 386.540 3.914 20 30 GHEDRO N#Cc1cccc([C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000770392177 874644065 /nfs/dbraw/zinc/64/40/65/874644065.db2.gz RPUIZUWUEABANF-XMMPIXPASA-N 1 0 391.515 3.606 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cccc2c1C[N@H+](C[C@@H](O)CC1(C#N)CCC1)CC2 ZINC001198852768 874656980 /nfs/dbraw/zinc/65/69/80/874656980.db2.gz RWRFWAYUBXPGJH-KRWDZBQOSA-N 1 0 385.508 3.837 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CCOc3cccc(C#N)c3)C[C@@H]1CCCC2 ZINC001198838476 874675268 /nfs/dbraw/zinc/67/52/68/874675268.db2.gz ZSCIIPIJQXRGHN-CVDCTZTESA-N 1 0 399.535 3.954 20 30 GHEDRO C=CC[N@@H+](Cc1cc(C(=O)OC)sc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000464883488 874684608 /nfs/dbraw/zinc/68/46/08/874684608.db2.gz CYCMFHQXACZMAJ-AWEZNQCLSA-N 1 0 397.504 3.568 20 30 GHEDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000541983432 874703500 /nfs/dbraw/zinc/70/35/00/874703500.db2.gz JNIVCMZWAFGSID-LPHOPBHVSA-N 1 0 383.517 3.651 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005392 874749697 /nfs/dbraw/zinc/74/96/97/874749697.db2.gz JIWFHVIIIZWLLR-JTSKRJEESA-N 1 0 399.498 3.805 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)NCC3CC[NH+](C4CC4)CC3)c2)s1 ZINC000770621946 874801992 /nfs/dbraw/zinc/80/19/92/874801992.db2.gz OZCPQMKYPFXDPR-UHFFFAOYSA-N 1 0 394.544 3.960 20 30 GHEDRO CC(C)Oc1cnccc1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001199162218 874833022 /nfs/dbraw/zinc/83/30/22/874833022.db2.gz ZVKRUZSUYLOQKO-MXVIHJGJSA-N 1 0 392.503 3.653 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)cc1OC ZINC000449419392 874859094 /nfs/dbraw/zinc/85/90/94/874859094.db2.gz AVMXHEBSTQJEPD-TZMCWYRMSA-N 1 0 394.256 3.517 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000449521235 874993868 /nfs/dbraw/zinc/99/38/68/874993868.db2.gz RIAUDTFXDNKLKM-MOPGFXCFSA-N 1 0 384.432 3.616 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449643293 875166803 /nfs/dbraw/zinc/16/68/03/875166803.db2.gz ADBSYPQQYLODOK-ZWKOTPCHSA-N 1 0 377.488 3.825 20 30 GHEDRO Cc1cc(C[NH2+]CCCN2CCN(c3ccccc3Cl)CC2)ccc1C#N ZINC001199768628 875173177 /nfs/dbraw/zinc/17/31/77/875173177.db2.gz CLUWCJOCYNTEOU-UHFFFAOYSA-N 1 0 382.939 3.822 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(OC)c1OC ZINC000105478308 875302523 /nfs/dbraw/zinc/30/25/23/875302523.db2.gz SZRLBQFNMTXBET-UHFFFAOYSA-N 1 0 382.504 3.559 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000105481109 875310395 /nfs/dbraw/zinc/31/03/95/875310395.db2.gz UOOATKFPGILCFW-UHFFFAOYSA-N 1 0 390.277 3.768 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000771580019 875325310 /nfs/dbraw/zinc/32/53/10/875325310.db2.gz UHRQREXNQCBXHI-FQEVSTJZSA-N 1 0 383.879 3.596 20 30 GHEDRO COc1cc(F)cc(C[C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449784140 875390148 /nfs/dbraw/zinc/39/01/48/875390148.db2.gz VKWBFVSPNXXHLH-KRWDZBQOSA-N 1 0 381.495 3.891 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C#N)cc1Br ZINC001201131974 875518821 /nfs/dbraw/zinc/51/88/21/875518821.db2.gz URMHRMNWLZQCML-CYBMUJFWSA-N 1 0 395.370 3.872 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000449884729 875572007 /nfs/dbraw/zinc/57/20/07/875572007.db2.gz FVFAQNAITGNCNN-NQYYFHDYSA-N 1 0 396.453 3.796 20 30 GHEDRO COc1cc(NC2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000176370492 875792494 /nfs/dbraw/zinc/79/24/94/875792494.db2.gz YBDLFRVCIQXWAF-UHFFFAOYSA-N 1 0 395.503 3.921 20 30 GHEDRO N#C[C@]1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC12CCCC2 ZINC000450019701 875827836 /nfs/dbraw/zinc/82/78/36/875827836.db2.gz CKXHFBRFDCYYFA-VWNXMTODSA-N 1 0 377.532 3.975 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450060909 875883701 /nfs/dbraw/zinc/88/37/01/875883701.db2.gz OKVWLNGKFYMLKF-DENIHFKCSA-N 1 0 378.516 3.963 20 30 GHEDRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000777015237 882973826 /nfs/dbraw/zinc/97/38/26/882973826.db2.gz UGDWODBEVLADRM-KYNGSXCRSA-N 1 0 378.394 3.774 20 30 GHEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Br)c(OC)c(OCC)c2)CC1 ZINC000106246421 875916048 /nfs/dbraw/zinc/91/60/48/875916048.db2.gz FTJOCZFLEONMTQ-UHFFFAOYSA-N 1 0 397.357 3.987 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1)[C@@H]1CCCO1 ZINC001202075050 876005487 /nfs/dbraw/zinc/00/54/87/876005487.db2.gz YAFNEGMEDUEBRT-IRXDYDNUSA-N 1 0 396.325 3.907 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C ZINC000772661701 876054338 /nfs/dbraw/zinc/05/43/38/876054338.db2.gz XCHGCYZTEZWWCD-MRXNPFEDSA-N 1 0 391.393 3.658 20 30 GHEDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1cccc(C#N)c1 ZINC000785711124 876217193 /nfs/dbraw/zinc/21/71/93/876217193.db2.gz TVGWDWIDWHUEDG-QGZVFWFLSA-N 1 0 378.472 3.681 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3cccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000450292604 876234385 /nfs/dbraw/zinc/23/43/85/876234385.db2.gz ZSNBZPOWUZHWRM-UHFFFAOYSA-N 1 0 380.448 3.799 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1c2c(nn1C)CCCC2)c1ccc(Cl)cc1Cl ZINC000262661809 876274596 /nfs/dbraw/zinc/27/45/96/876274596.db2.gz LYLZKEKTRAXAJG-LLVKDONJSA-N 1 0 380.323 3.771 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000450398890 876378365 /nfs/dbraw/zinc/37/83/65/876378365.db2.gz BAJCNDCJWRATBF-VSKRKVRLSA-N 1 0 386.536 3.996 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000551003865 883028843 /nfs/dbraw/zinc/02/88/43/883028843.db2.gz IHEULJJRGYZGSA-CMJOXMDJSA-N 1 0 388.471 3.634 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000108522509 876484806 /nfs/dbraw/zinc/48/48/06/876484806.db2.gz ISJWZQLHNZKORL-QGZVFWFLSA-N 1 0 383.517 3.794 20 30 GHEDRO N#CCCn1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1-c1ccccc1 ZINC000529717312 876578338 /nfs/dbraw/zinc/57/83/38/876578338.db2.gz FPTWIBUJGIIUOL-FQEVSTJZSA-N 1 0 391.519 3.601 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000850123775 876684674 /nfs/dbraw/zinc/68/46/74/876684674.db2.gz SFPKXGUNIFIALG-UHFFFAOYSA-N 1 0 385.552 3.720 20 30 GHEDRO CC(C)(C#N)CC(=O)O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000786429879 876687695 /nfs/dbraw/zinc/68/76/95/876687695.db2.gz CXMJETKGAGDGLY-OALUTQOASA-N 1 0 389.927 3.866 20 30 GHEDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000529912086 876839372 /nfs/dbraw/zinc/83/93/72/876839372.db2.gz GYXBTQOZEOAUIP-UHFFFAOYSA-N 1 0 389.499 3.552 20 30 GHEDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000450785089 876886444 /nfs/dbraw/zinc/88/64/44/876886444.db2.gz DQDBGIREDHURIJ-INIZCTEOSA-N 1 0 383.517 3.599 20 30 GHEDRO Fc1cc(Cl)ccc1C(Cc1ccccn1)=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000787162117 877210623 /nfs/dbraw/zinc/21/06/23/877210623.db2.gz HTSKZSXYYXBUHY-HDICACEKSA-N 1 0 385.874 3.681 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1C#N ZINC000064308923 883112984 /nfs/dbraw/zinc/11/29/84/883112984.db2.gz WERQUOOBBDBMFP-UHFFFAOYSA-N 1 0 386.565 3.747 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000152202581 877268544 /nfs/dbraw/zinc/26/85/44/877268544.db2.gz FNRFTIGYYOEFBI-UHFFFAOYSA-N 1 0 378.398 3.619 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1(C)C ZINC000610144665 877428247 /nfs/dbraw/zinc/42/82/47/877428247.db2.gz QFIUQDTUEVHFLM-QZTJIDSGSA-N 1 0 377.916 3.722 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451152502 877463714 /nfs/dbraw/zinc/46/37/14/877463714.db2.gz DWILFPNVCFBVTK-KRWDZBQOSA-N 1 0 376.566 3.668 20 30 GHEDRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)CCCC#N ZINC000610161528 877466033 /nfs/dbraw/zinc/46/60/33/877466033.db2.gz ZRPZUWFAVIELIH-CTXDPNEZSA-N 1 0 383.602 3.764 20 30 GHEDRO C=C(C)CCc1ccccc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170075225 877490652 /nfs/dbraw/zinc/49/06/52/877490652.db2.gz WNJYCNJCSUWBEP-UHFFFAOYSA-N 1 0 395.528 3.898 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000530305575 877502388 /nfs/dbraw/zinc/50/23/88/877502388.db2.gz FFCJWWWRTVBHPN-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(OC)c(C#N)c1)c1ccsc1 ZINC000746704771 877523781 /nfs/dbraw/zinc/52/37/81/877523781.db2.gz INUUNVNWOSUTGX-SFHVURJKSA-N 1 0 386.521 3.511 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](c3ccccc3)c3ccncn3)C2)c(F)c1 ZINC000530321238 877539072 /nfs/dbraw/zinc/53/90/72/877539072.db2.gz VXVGMTXQBVUHPR-XXBNENTESA-N 1 0 387.462 3.835 20 30 GHEDRO C=CCOc1ccc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC001272007290 877596406 /nfs/dbraw/zinc/59/64/06/877596406.db2.gz QPKRWTIYGQTTST-UHFFFAOYSA-N 1 0 393.531 3.712 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1Cl ZINC000428717572 877640947 /nfs/dbraw/zinc/64/09/47/877640947.db2.gz KONIMZSKACANIC-AEFFLSMTSA-N 1 0 381.854 3.872 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000551725034 877689333 /nfs/dbraw/zinc/68/93/33/877689333.db2.gz VYWMKACSKFNVJD-QGZVFWFLSA-N 1 0 381.545 3.726 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c(C4CC4)nc4sccn34)CC2)cc1 ZINC000179639071 877810585 /nfs/dbraw/zinc/81/05/85/877810585.db2.gz VHQPSFFGWQVNKX-UHFFFAOYSA-N 1 0 391.544 3.853 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000179702306 877877494 /nfs/dbraw/zinc/87/74/94/877877494.db2.gz VIBPPVNOMTXBEG-VXKWHMMOSA-N 1 0 397.567 3.668 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H](C#N)c3c(Cl)cccc3Cl)C[C@H]2C1 ZINC001183110474 912291901 /nfs/dbraw/zinc/29/19/01/912291901.db2.gz DBVPEYDDLAMVDR-RRFJBIMHSA-N 1 0 380.319 3.791 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1OC ZINC000179739687 877954934 /nfs/dbraw/zinc/95/49/34/877954934.db2.gz FNUBAVNJJVNDPL-QGZVFWFLSA-N 1 0 376.497 3.607 20 30 GHEDRO COc1ccc(C(C)=NN[C@@H](CO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000788470811 878087439 /nfs/dbraw/zinc/08/74/39/878087439.db2.gz ZQLWNFKMKZHMDO-QFIPXVFZSA-N 1 0 381.520 3.728 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000237822253 878095250 /nfs/dbraw/zinc/09/52/50/878095250.db2.gz XGBRIBLFURXMCI-HXUWFJFHSA-N 1 0 385.533 3.594 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000237822211 878095337 /nfs/dbraw/zinc/09/53/37/878095337.db2.gz FKNIMMAJOYNQFJ-HSZRJFAPSA-N 1 0 379.504 3.532 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 ZINC000179892776 878174543 /nfs/dbraw/zinc/17/45/43/878174543.db2.gz PEMDJAZHJNERQT-YADHBBJMSA-N 1 0 375.472 3.803 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)c(F)c1 ZINC000285506765 912318915 /nfs/dbraw/zinc/31/89/15/912318915.db2.gz NQRNGVQSKBWHPY-UHFFFAOYSA-N 1 0 385.414 3.708 20 30 GHEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473405 878351037 /nfs/dbraw/zinc/35/10/37/878351037.db2.gz MWPPTYBUPKWAIU-QAPCUYQASA-N 1 0 397.416 3.853 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3cccnc3)CC2)c(OC)c1 ZINC000537840218 878369711 /nfs/dbraw/zinc/36/97/11/878369711.db2.gz BLSRNRYGFSZFTF-JOCHJYFZSA-N 1 0 396.531 3.513 20 30 GHEDRO CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000110656479 878391479 /nfs/dbraw/zinc/39/14/79/878391479.db2.gz IVXWGXRWOMSQIO-SIKLNZKXSA-N 1 0 391.515 3.815 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc(C#N)c1Br ZINC000451724486 878402072 /nfs/dbraw/zinc/40/20/72/878402072.db2.gz GNRQTNIJZYWCAY-UHFFFAOYSA-N 1 0 390.281 3.508 20 30 GHEDRO C[C@H](CCO)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000537854854 878434713 /nfs/dbraw/zinc/43/47/13/878434713.db2.gz KKXKVWUJFBWDLD-MRXNPFEDSA-N 1 0 385.895 3.813 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000852594356 878447753 /nfs/dbraw/zinc/44/77/53/878447753.db2.gz MFQQXBBWLVPHOL-KNQAVFIVSA-N 1 0 383.536 3.911 20 30 GHEDRO O=C(N1CCC[C@H](C2CC[NH+](CC#Cc3ccccc3)CC2)C1)C(F)(F)F ZINC000852601094 878456919 /nfs/dbraw/zinc/45/69/19/878456919.db2.gz OXLUMDQAUFLDNU-IBGZPJMESA-N 1 0 378.438 3.551 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)CC1 ZINC000180126888 878534538 /nfs/dbraw/zinc/53/45/38/878534538.db2.gz UKMSAOKBTAWRME-UHFFFAOYSA-N 1 0 387.915 3.996 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460778574 878550464 /nfs/dbraw/zinc/55/04/64/878550464.db2.gz MPXILGHDZJQZHL-FXAWDEMLSA-N 1 0 385.531 3.751 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460784651 878558866 /nfs/dbraw/zinc/55/88/66/878558866.db2.gz SWHJSOJXZLBBDI-IBGZPJMESA-N 1 0 388.519 3.627 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000451842002 878590140 /nfs/dbraw/zinc/59/01/40/878590140.db2.gz MMDQZGGKPNAIJH-CVEARBPZSA-N 1 0 388.581 3.632 20 30 GHEDRO CN(C(=O)CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1(C#N)CCCCC1 ZINC000451895999 878655619 /nfs/dbraw/zinc/65/56/19/878655619.db2.gz ZMUFJKWDIGEDTL-UHFFFAOYSA-N 1 0 376.589 3.504 20 30 GHEDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000451903822 878670560 /nfs/dbraw/zinc/67/05/60/878670560.db2.gz FHSMOJINDGKOLJ-IBGZPJMESA-N 1 0 392.286 3.691 20 30 GHEDRO N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000530917134 878735219 /nfs/dbraw/zinc/73/52/19/878735219.db2.gz XYTXSTYJCNHNIX-UHFFFAOYSA-N 1 0 390.487 3.554 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000530972848 878853617 /nfs/dbraw/zinc/85/36/17/878853617.db2.gz VZOVODFYHFWWEN-PCRRDVQSSA-N 1 0 395.528 3.978 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853211421 878892355 /nfs/dbraw/zinc/89/23/55/878892355.db2.gz VBTGVIHJPLIKON-XIKOKIGWSA-N 1 0 392.377 3.589 20 30 GHEDRO NC(=O)Nc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)cc1 ZINC000111163080 878897896 /nfs/dbraw/zinc/89/78/96/878897896.db2.gz JGAUQGUMVNLSLT-UHFFFAOYSA-O 1 0 391.476 3.516 20 30 GHEDRO C=CCC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538231042 879085114 /nfs/dbraw/zinc/08/51/14/879085114.db2.gz VUEWRSGKEOHNOQ-INIZCTEOSA-N 1 0 378.460 3.584 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000538267164 879113784 /nfs/dbraw/zinc/11/37/84/879113784.db2.gz CNRNXGBJFQMJGW-JMQGSBJISA-N 1 0 397.544 3.638 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178513667 879135935 /nfs/dbraw/zinc/13/59/35/879135935.db2.gz QVZZCUUFAAWJHJ-UHFFFAOYSA-N 1 0 379.479 3.975 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc(C#N)c1 ZINC000789698906 879180481 /nfs/dbraw/zinc/18/04/81/879180481.db2.gz UGHDSNFXRVYLRG-IQMFZBJNSA-N 1 0 388.471 3.634 20 30 GHEDRO C[N@H+](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCCC1 ZINC000068899468 879182205 /nfs/dbraw/zinc/18/22/05/879182205.db2.gz URSQOSMDUOFTJJ-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1C ZINC000531137271 879219401 /nfs/dbraw/zinc/21/94/01/879219401.db2.gz NTLQTASKHHXNJQ-AFVILVPDSA-N 1 0 398.551 3.762 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000795694699 912433737 /nfs/dbraw/zinc/43/37/37/912433737.db2.gz QFQVCTJSFDWVFZ-ZLNRFVROSA-N 1 0 399.498 3.587 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000180844181 879383208 /nfs/dbraw/zinc/38/32/08/879383208.db2.gz YOIPZHRGTDCXPA-CQSZACIVSA-N 1 0 379.851 3.687 20 30 GHEDRO C=CC[N@H+](Cc1cc(-n2ccnc2)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000542466447 879395616 /nfs/dbraw/zinc/39/56/16/879395616.db2.gz KERQPQCYQUBWJN-INIZCTEOSA-N 1 0 391.504 3.659 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccnc(N4CCCCC4)c3)CC2)cc1 ZINC000285822775 912457884 /nfs/dbraw/zinc/45/78/84/912457884.db2.gz WNDKMWJJNCRHRD-UHFFFAOYSA-N 1 0 375.520 3.702 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCCC2)C1=O ZINC000493712561 879606854 /nfs/dbraw/zinc/60/68/54/879606854.db2.gz ZQDAGDBVEULUPM-QGZVFWFLSA-N 1 0 377.326 3.637 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccncc2OCCC(C)(C)C)CC1 ZINC000493812720 879652524 /nfs/dbraw/zinc/65/25/24/879652524.db2.gz SIRFGOQSPKGDNN-UHFFFAOYSA-N 1 0 388.556 3.736 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000181074722 879669268 /nfs/dbraw/zinc/66/92/68/879669268.db2.gz VJNJOOXRAOPGIO-UHFFFAOYSA-N 1 0 376.435 3.527 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531384067 879751046 /nfs/dbraw/zinc/75/10/46/879751046.db2.gz KZZRVLYUYWRRCN-QFBILLFUSA-N 1 0 380.467 3.673 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc([S@@](C)(=N)=O)cc1)C(C)C ZINC000888485576 879790562 /nfs/dbraw/zinc/79/05/62/879790562.db2.gz YXXUVYVIKXJWNZ-QYBDOPJKSA-N 1 0 378.542 3.542 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790535797 879802145 /nfs/dbraw/zinc/80/21/45/879802145.db2.gz TVPSTZFFHYDQJP-GPMSIDNRSA-N 1 0 378.438 3.921 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc3cc(Br)ccc3c2)C1=O ZINC001275169939 912505888 /nfs/dbraw/zinc/50/58/88/912505888.db2.gz OJVVLHYTKOXRGW-OAQYLSRUSA-N 1 0 397.316 3.802 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000247086322 879912750 /nfs/dbraw/zinc/91/27/50/879912750.db2.gz XGPRTZBKCGRMPU-FGZHOGPDSA-N 1 0 396.579 3.766 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc4ccccc4n3CC#N)C2)CC1 ZINC000609169799 880023917 /nfs/dbraw/zinc/02/39/17/880023917.db2.gz XWOVFJWHDWOMCI-IBGZPJMESA-N 1 0 378.520 3.749 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000112695140 880087888 /nfs/dbraw/zinc/08/78/88/880087888.db2.gz RUNOFNNXJFZNKM-QGZVFWFLSA-N 1 0 388.552 3.894 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(-n4cccn4)c3)C2)c(F)c1 ZINC000531611922 880201308 /nfs/dbraw/zinc/20/13/08/880201308.db2.gz UWBXAPNKSJPUFS-LJQANCHMSA-N 1 0 375.451 3.642 20 30 GHEDRO N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000855299654 880416963 /nfs/dbraw/zinc/41/69/63/880416963.db2.gz NKBKCVPLBQHYAH-DEOSSOPVSA-N 1 0 388.515 3.765 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OC ZINC000113347747 880520245 /nfs/dbraw/zinc/52/02/45/880520245.db2.gz GKKHYHKAFJJHLY-OAQYLSRUSA-N 1 0 395.503 3.503 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)C1CC1 ZINC000453319097 880790526 /nfs/dbraw/zinc/79/05/26/880790526.db2.gz CQBMPPRNWPPDCX-VGSWGCGISA-N 1 0 390.593 3.950 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453439258 880901113 /nfs/dbraw/zinc/90/11/13/880901113.db2.gz KJKDLEWBVWJCFK-SJORKVTESA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453440384 880902527 /nfs/dbraw/zinc/90/25/27/880902527.db2.gz MPMOYVFQUXFQOP-SBHAEUEKSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000453423396 880920871 /nfs/dbraw/zinc/92/08/71/880920871.db2.gz DOUGSBPQKRJGTK-RTWAWAEBSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)C1=O ZINC001275207746 912623727 /nfs/dbraw/zinc/62/37/27/912623727.db2.gz ZRPBIJRUNPLQDZ-IBGZPJMESA-N 1 0 381.303 3.911 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000453468611 880977305 /nfs/dbraw/zinc/97/73/05/880977305.db2.gz UWZRIQLDEDUDDP-RLLQIKCJSA-N 1 0 385.556 3.549 20 30 GHEDRO C=C(C)Cn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453472506 880986693 /nfs/dbraw/zinc/98/66/93/880986693.db2.gz XVFREUZTHMZHJF-NFBKMPQASA-N 1 0 395.551 3.591 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453449994 881005372 /nfs/dbraw/zinc/00/53/72/881005372.db2.gz GXJBJKMCLIUKQJ-CMKODMSKSA-N 1 0 395.551 3.696 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000113971952 881019487 /nfs/dbraw/zinc/01/94/87/881019487.db2.gz JAJWIMXRAGEFPJ-PKOBYXMFSA-N 1 0 386.540 3.677 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000919943759 881221579 /nfs/dbraw/zinc/22/15/79/881221579.db2.gz TUNYPXYRWBHGIX-UHFFFAOYSA-N 1 0 390.524 3.962 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000499145429 881274075 /nfs/dbraw/zinc/27/40/75/881274075.db2.gz ZVMMOOMFCVFJDI-UHFFFAOYSA-N 1 0 390.531 3.976 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cc(Cl)ccc3C(F)(F)F)CC2)C1=O ZINC001275219697 912682770 /nfs/dbraw/zinc/68/27/70/912682770.db2.gz IZNHSYQDPDUWHR-UHFFFAOYSA-N 1 0 384.829 3.807 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC#Cc1ccc(F)cc1 ZINC000135286768 883284665 /nfs/dbraw/zinc/28/46/65/883284665.db2.gz MERYFLAORYCJQE-UHFFFAOYSA-N 1 0 384.524 3.775 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609546597 883337977 /nfs/dbraw/zinc/33/79/77/883337977.db2.gz DNCHBLFNPOEXOV-KRWDZBQOSA-N 1 0 378.476 3.740 20 30 GHEDRO CC(C)(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000858768021 883343756 /nfs/dbraw/zinc/34/37/56/883343756.db2.gz HHDIXGZXFDXEAX-UHFFFAOYSA-N 1 0 375.516 3.864 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)o1 ZINC000609588859 883386874 /nfs/dbraw/zinc/38/68/74/883386874.db2.gz TUIKHDANYQOWQD-MRXNPFEDSA-N 1 0 390.281 3.879 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]CCc3ccc(OCc4ccccc4)cc3)cnc12 ZINC000551242261 883532413 /nfs/dbraw/zinc/53/24/13/883532413.db2.gz VCQVSPDKQNRDES-UHFFFAOYSA-N 1 0 383.455 3.512 20 30 GHEDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000609779097 883672328 /nfs/dbraw/zinc/67/23/28/883672328.db2.gz QCXXHQMSCTYODA-RCKXYERXSA-N 1 0 396.535 3.516 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1F ZINC000805236027 883679827 /nfs/dbraw/zinc/67/98/27/883679827.db2.gz LILQAFSTRMPGMX-ZCNNSNEGSA-N 1 0 385.870 3.898 20 30 GHEDRO C[C@@H]1SCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H]1c1ccccc1 ZINC000609826734 883700521 /nfs/dbraw/zinc/70/05/21/883700521.db2.gz VGJMDHINEJZKMS-UCNVEGJOSA-N 1 0 382.529 3.671 20 30 GHEDRO C[C@H](NC(=[NH2+])NCC(C)(C)C1(O)CCOCC1)c1ccc(Cl)cc1Cl ZINC000263098784 883745893 /nfs/dbraw/zinc/74/58/93/883745893.db2.gz JSKPODXKROZBGJ-LBPRGKRZSA-N 1 0 388.339 3.526 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCC(C)(C)C1(O)CCOCC1)c1ccc(Cl)cc1Cl ZINC000263098783 883746049 /nfs/dbraw/zinc/74/60/49/883746049.db2.gz JSKPODXKROZBGJ-GFCCVEGCSA-N 1 0 388.339 3.526 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2c(C)cc(C)c(Br)c2C)CC1 ZINC000859525370 883870966 /nfs/dbraw/zinc/87/09/66/883870966.db2.gz UHDJQVBSKBOTNI-UHFFFAOYSA-N 1 0 377.326 3.592 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000498319750 884055312 /nfs/dbraw/zinc/05/53/12/884055312.db2.gz AKFSVWGEJKHADR-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000805785543 884067706 /nfs/dbraw/zinc/06/77/06/884067706.db2.gz GZQKDXRWPQBFPB-ZJSXRUAMSA-N 1 0 389.543 3.927 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccc4ccccc4c3)CCOCC2)cc1 ZINC000859882623 884146687 /nfs/dbraw/zinc/14/66/87/884146687.db2.gz XUTKNYTXXURCJQ-UHFFFAOYSA-N 1 0 385.467 3.945 20 30 GHEDRO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000494896475 884175179 /nfs/dbraw/zinc/17/51/79/884175179.db2.gz WENNRBZYBFPGIK-IEBWSBKVSA-N 1 0 388.531 3.779 20 30 GHEDRO CCn1cc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000498380429 884228397 /nfs/dbraw/zinc/22/83/97/884228397.db2.gz HQJORSHQJYYCTQ-UHFFFAOYSA-N 1 0 388.515 3.666 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000495016977 884357590 /nfs/dbraw/zinc/35/75/90/884357590.db2.gz KCESWDVETBMXRI-RTBURBONSA-N 1 0 379.508 3.541 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000495016965 884358635 /nfs/dbraw/zinc/35/86/35/884358635.db2.gz KCESWDVETBMXRI-MOPGFXCFSA-N 1 0 379.508 3.541 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000102751390 884404780 /nfs/dbraw/zinc/40/47/80/884404780.db2.gz KTHPAIKHBAKESO-GOSISDBHSA-N 1 0 395.503 3.972 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@H]1Oc1ccccc1 ZINC000249437344 912829738 /nfs/dbraw/zinc/82/97/38/912829738.db2.gz LHSXRISMAKZQRM-DNVJHFABSA-N 1 0 379.504 3.751 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)CC(C)C ZINC000498462480 884491568 /nfs/dbraw/zinc/49/15/68/884491568.db2.gz JTRJSHVSADPJDV-GOSISDBHSA-N 1 0 390.597 3.843 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495080594 884506524 /nfs/dbraw/zinc/50/65/24/884506524.db2.gz RSMACHSZSOODRW-JXFKEZNVSA-N 1 0 394.494 3.719 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc(F)cc1OCC#N)[NH+](C)C ZINC000806349539 884610773 /nfs/dbraw/zinc/61/07/73/884610773.db2.gz QAMSHAQFVOJOCO-YWZLYKJASA-N 1 0 384.455 3.849 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000806551078 884802762 /nfs/dbraw/zinc/80/27/62/884802762.db2.gz IDWZLVDMZGYQFQ-FQIOEHTJSA-N 1 0 383.492 3.668 20 30 GHEDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000109788731 884992403 /nfs/dbraw/zinc/99/24/03/884992403.db2.gz BHRWWSGJLTZZHN-UHFFFAOYSA-N 1 0 399.583 3.836 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000806808700 885009102 /nfs/dbraw/zinc/00/91/02/885009102.db2.gz LJOIXVVQUYDRPN-NQSCKRDGSA-N 1 0 394.519 3.858 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460369744 885034613 /nfs/dbraw/zinc/03/46/13/885034613.db2.gz NIKDSXGXBKRISV-FQEVSTJZSA-N 1 0 395.551 3.669 20 30 GHEDRO C=C(C)CN1C(=O)/C(=C\c2ccc(OCC[NH+]3CCCC3)cc2)SC1=S ZINC000914868458 885064556 /nfs/dbraw/zinc/06/45/56/885064556.db2.gz NHULSLHPKFNQDX-QGOAFFKASA-N 1 0 388.558 3.939 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000286813328 912906988 /nfs/dbraw/zinc/90/69/88/912906988.db2.gz UKCFCTRDQUOJFY-SFHVURJKSA-N 1 0 394.519 3.671 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000171639966 885354767 /nfs/dbraw/zinc/35/47/67/885354767.db2.gz MWNOXBSNUNVJMD-UHFFFAOYSA-N 1 0 395.385 3.527 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000807469711 885466866 /nfs/dbraw/zinc/46/68/66/885466866.db2.gz KJCCZRFQWKUDPV-XZOQPEGZSA-N 1 0 381.564 3.919 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccccc4Cl)CCOCC3)n2c1 ZINC000556581789 885553945 /nfs/dbraw/zinc/55/39/45/885553945.db2.gz BPVRFLNHUXUWSD-UHFFFAOYSA-N 1 0 380.879 3.697 20 30 GHEDRO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714719 885573077 /nfs/dbraw/zinc/57/30/77/885573077.db2.gz XTZYBFIMPGDFOX-KRWDZBQOSA-N 1 0 395.478 3.588 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCc2ccccc2)c1C#N ZINC000053047955 885593671 /nfs/dbraw/zinc/59/36/71/885593671.db2.gz COUAGKWVXUBBRH-UHFFFAOYSA-N 1 0 390.487 3.731 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762222616 885773274 /nfs/dbraw/zinc/77/32/74/885773274.db2.gz SPUHQGPTYJMAPF-LJQANCHMSA-N 1 0 381.451 3.576 20 30 GHEDRO CC(C)N1CC(Nc2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168311885 885978256 /nfs/dbraw/zinc/97/82/56/885978256.db2.gz REMMQPLHGRQNFL-UHFFFAOYSA-N 1 0 389.547 3.643 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1 ZINC000495534503 886051710 /nfs/dbraw/zinc/05/17/10/886051710.db2.gz KSXNKSWVLMCNBP-MRXNPFEDSA-N 1 0 394.475 3.917 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487929966 886085854 /nfs/dbraw/zinc/08/58/54/886085854.db2.gz BHBKZCGTMGBUBN-UHFFFAOYSA-N 1 0 393.329 3.906 20 30 GHEDRO N#Cc1ccsc1NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000532566206 886102624 /nfs/dbraw/zinc/10/26/24/886102624.db2.gz LLTVCCUISVCHJK-QFIPXVFZSA-N 1 0 394.544 3.546 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000112639098 886266213 /nfs/dbraw/zinc/26/62/13/886266213.db2.gz PRXHFGDHECXJMT-QFIPXVFZSA-N 1 0 397.469 3.643 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc(OC)c1OC ZINC000919762542 886314057 /nfs/dbraw/zinc/31/40/57/886314057.db2.gz IWHQQUKFGDLADG-UTKZUKDTSA-N 1 0 394.515 3.998 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)C1 ZINC000919815477 886409572 /nfs/dbraw/zinc/40/95/72/886409572.db2.gz IHOFDJFNADCTLV-RTBURBONSA-N 1 0 391.515 3.997 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)OC(C)(C)C)ccc1C#N ZINC000862537618 886443663 /nfs/dbraw/zinc/44/36/63/886443663.db2.gz ZSUHXHHBBGSINR-HAGHYFMRSA-N 1 0 397.519 3.644 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)c2)C1 ZINC001184166289 913062658 /nfs/dbraw/zinc/06/26/58/913062658.db2.gz HWQIAQYXEHKTKA-QFIPXVFZSA-N 1 0 399.498 3.865 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000536517503 886655232 /nfs/dbraw/zinc/65/52/32/886655232.db2.gz HZVNMQFKJSENRK-UHFFFAOYSA-N 1 0 388.515 3.756 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(CCC(N)=O)CC2)c1 ZINC000537617207 886671431 /nfs/dbraw/zinc/67/14/31/886671431.db2.gz VUWCQMLAJSAGNY-UHFFFAOYSA-N 1 0 377.488 3.615 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1OCC ZINC000057552326 886715531 /nfs/dbraw/zinc/71/55/31/886715531.db2.gz KNWOVTFOVQAUAW-IRXDYDNUSA-N 1 0 387.524 3.866 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccccc1 ZINC000808789793 886783927 /nfs/dbraw/zinc/78/39/27/886783927.db2.gz XJNYBTLPHMDDNF-LOSJGSFVSA-N 1 0 399.494 3.998 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1C ZINC000747530944 886823008 /nfs/dbraw/zinc/82/30/08/886823008.db2.gz RSOXYOJWZXVPFZ-JOCHJYFZSA-N 1 0 383.536 3.974 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1=S ZINC000153643518 887200559 /nfs/dbraw/zinc/20/05/59/887200559.db2.gz YHWCIXNCRIOIRO-LJQANCHMSA-N 1 0 385.581 3.805 20 30 GHEDRO Cc1cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000863583460 887226672 /nfs/dbraw/zinc/22/66/72/887226672.db2.gz XPIJSBMSHLARHJ-JOCHJYFZSA-N 1 0 381.520 3.564 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCc3nnc4ccccn43)c2)c1 ZINC000915676250 887290790 /nfs/dbraw/zinc/29/07/90/887290790.db2.gz IYXPMVDMRNFUHD-UHFFFAOYSA-N 1 0 383.455 3.512 20 30 GHEDRO C#CCNC(=O)c1cccc(-c2noc([C@@H](c3ccccc3)[NH+](CC)CC)n2)c1 ZINC000809347152 887312844 /nfs/dbraw/zinc/31/28/44/887312844.db2.gz YPELWTMMZJMHMC-HXUWFJFHSA-N 1 0 388.471 3.531 20 30 GHEDRO CN(CC[NH+](C)C)c1ccc(Br)cc1NCc1ccc(C#N)cc1 ZINC000864016022 887521007 /nfs/dbraw/zinc/52/10/07/887521007.db2.gz JEYROPMREGTTSN-UHFFFAOYSA-N 1 0 387.325 3.931 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670227663 887543569 /nfs/dbraw/zinc/54/35/69/887543569.db2.gz IUNOBXXKQASUNO-OAQYLSRUSA-N 1 0 379.552 3.818 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1C#N ZINC000888219046 887558120 /nfs/dbraw/zinc/55/81/20/887558120.db2.gz SZDADQYGLXTHOW-AWEZNQCLSA-N 1 0 390.553 3.540 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000188755390 887679837 /nfs/dbraw/zinc/67/98/37/887679837.db2.gz SZXFYEHODCGMSL-LJQANCHMSA-N 1 0 393.491 3.550 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C(F)(F)F ZINC001168501869 887712257 /nfs/dbraw/zinc/71/22/57/887712257.db2.gz QGJRGIZRYKILLB-HZPDHXFCSA-N 1 0 383.414 3.978 20 30 GHEDRO N#Cc1cccc2[nH]nc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)c21 ZINC001184401821 913183490 /nfs/dbraw/zinc/18/34/90/913183490.db2.gz NRARCVUEYDGYMR-MRXNPFEDSA-N 1 0 393.878 3.939 20 30 GHEDRO COc1cc(NC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc(OC)c1 ZINC000282122682 888150655 /nfs/dbraw/zinc/15/06/55/888150655.db2.gz XXINIIUDFNTTFH-UHFFFAOYSA-N 1 0 387.524 3.681 20 30 GHEDRO N#CCc1cccc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC001170597836 888205272 /nfs/dbraw/zinc/20/52/72/888205272.db2.gz ZICMWVCHICKMMN-QHCPKHFHSA-N 1 0 386.499 3.623 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001132086299 888216224 /nfs/dbraw/zinc/21/62/24/888216224.db2.gz LHOVAFQWIXUREK-UGKGYDQZSA-N 1 0 375.516 3.602 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001132087930 888219360 /nfs/dbraw/zinc/21/93/60/888219360.db2.gz UGKANFKAULLJQW-QUCCMNQESA-N 1 0 394.515 3.758 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)c(C(F)(F)F)c1 ZINC000810155812 888244721 /nfs/dbraw/zinc/24/47/21/888244721.db2.gz IEORNDMXXFXYNV-NTMALXAHSA-N 1 0 387.405 3.886 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)ccc1C#N ZINC000810250782 888352207 /nfs/dbraw/zinc/35/22/07/888352207.db2.gz QBJFECFJGAFLQM-IBGZPJMESA-N 1 0 379.460 3.710 20 30 GHEDRO C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000053721210 888386722 /nfs/dbraw/zinc/38/67/22/888386722.db2.gz OXXXTKBHRCKOBL-PGRDOPGGSA-N 1 0 391.515 3.942 20 30 GHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000532716850 888507842 /nfs/dbraw/zinc/50/78/42/888507842.db2.gz XXKACVRBDFRQSG-UHFFFAOYSA-N 1 0 386.293 3.870 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000496152478 888539655 /nfs/dbraw/zinc/53/96/55/888539655.db2.gz XKPCPGVSTWJWGS-UHFFFAOYSA-N 1 0 398.551 3.766 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001211975312 888765039 /nfs/dbraw/zinc/76/50/39/888765039.db2.gz CUXVEXNRHIHCJZ-SJORKVTESA-N 1 0 387.480 3.586 20 30 GHEDRO CCn1c(N=NCC(C)(C)C[N@H+](C)Cc2ccccc2)nc2ccccc2c1=O ZINC000747630460 888863772 /nfs/dbraw/zinc/86/37/72/888863772.db2.gz PVNUTUSPTWXGAY-UHFFFAOYSA-N 1 0 391.519 3.972 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000866449666 888883444 /nfs/dbraw/zinc/88/34/44/888883444.db2.gz ZBGCTHGGZVKUFV-KRWDZBQOSA-N 1 0 390.487 3.834 20 30 GHEDRO S=C(NN=C1CCCc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916307092 888908864 /nfs/dbraw/zinc/90/88/64/888908864.db2.gz QQZMTSQJGHEVMC-UHFFFAOYSA-N 1 0 392.572 3.856 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)CC1 ZINC000454553006 889269089 /nfs/dbraw/zinc/26/90/89/889269089.db2.gz UVAJSIGKPGVZRO-UHFFFAOYSA-N 1 0 377.479 3.579 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532949807 889363076 /nfs/dbraw/zinc/36/30/76/889363076.db2.gz ICLWEGCPKLPJNN-YADHBBJMSA-N 1 0 396.579 3.910 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532949806 889363286 /nfs/dbraw/zinc/36/32/86/889363286.db2.gz ICLWEGCPKLPJNN-VXKWHMMOSA-N 1 0 396.579 3.910 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532949801 889363575 /nfs/dbraw/zinc/36/35/75/889363575.db2.gz ICLWEGCPKLPJNN-FCHUYYIVSA-N 1 0 396.579 3.910 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000533089442 889754145 /nfs/dbraw/zinc/75/41/45/889754145.db2.gz KDGLMHQZUODLFT-VQTJNVASSA-N 1 0 395.547 3.614 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000666754886 889826749 /nfs/dbraw/zinc/82/67/49/889826749.db2.gz WTYDEOJSWSILLN-IBGZPJMESA-N 1 0 375.561 3.672 20 30 GHEDRO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1[N+](=O)[O-] ZINC000811804382 889988432 /nfs/dbraw/zinc/98/84/32/889988432.db2.gz LOABGEDJXFNTCB-KRWDZBQOSA-N 1 0 386.839 3.902 20 30 GHEDRO COC(=O)[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000811805188 889990010 /nfs/dbraw/zinc/99/00/10/889990010.db2.gz HOZBDGBNESYVRS-JTHBVZDNSA-N 1 0 391.515 3.664 20 30 GHEDRO C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4cccc(C#N)c4)nc(N)c32)C1 ZINC000533221411 890033249 /nfs/dbraw/zinc/03/32/49/890033249.db2.gz PEYCTKMGFUUWLV-CQSZACIVSA-N 1 0 391.544 3.944 20 30 GHEDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000533254757 890104908 /nfs/dbraw/zinc/10/49/08/890104908.db2.gz HYQKVGNRDCLVLC-UHFFFAOYSA-N 1 0 380.448 3.872 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3cc(C#N)ccn3)c3nccc2-3)cc1 ZINC001170663691 890342955 /nfs/dbraw/zinc/34/29/55/890342955.db2.gz GBRQLSCXQRXYID-CQSZACIVSA-N 1 0 382.427 3.516 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000123171271 890387980 /nfs/dbraw/zinc/38/79/80/890387980.db2.gz HGQBOQABKHIHMB-UHFFFAOYSA-N 1 0 380.511 3.883 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000812187609 890396383 /nfs/dbraw/zinc/39/63/83/890396383.db2.gz ALLWQMSAGSLRPC-RDJZCZTQSA-N 1 0 388.947 3.736 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1C ZINC000533447601 890564852 /nfs/dbraw/zinc/56/48/52/890564852.db2.gz RWMOWHWWNMCADU-BZSNNMDCSA-N 1 0 388.581 3.681 20 30 GHEDRO CC[NH+]1CCN(Cc2ccccc2CNc2ncc(C#N)c3ccsc32)CC1 ZINC001184831394 913469750 /nfs/dbraw/zinc/46/97/50/913469750.db2.gz VMDMJPXTWIWQDM-UHFFFAOYSA-N 1 0 391.544 3.918 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCOc3ncccc3F)c2)c1 ZINC000533467156 890626546 /nfs/dbraw/zinc/62/65/46/890626546.db2.gz HONWEISOIAOOKY-UHFFFAOYSA-N 1 0 377.419 3.840 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000871099213 890643705 /nfs/dbraw/zinc/64/37/05/890643705.db2.gz QIFGUVCRPRSJKP-QUCCMNQESA-N 1 0 388.519 3.600 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)cc1 ZINC000747810468 890896301 /nfs/dbraw/zinc/89/63/01/890896301.db2.gz OBWNJHPQBJJKLF-UHFFFAOYSA-N 1 0 378.520 3.605 20 30 GHEDRO Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)n2c3ccccc3nc2c1C#N ZINC000917064480 890923376 /nfs/dbraw/zinc/92/33/76/890923376.db2.gz WRXQGFPHHOUOCS-GOSISDBHSA-N 1 0 389.503 3.723 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1 ZINC000812799479 890994341 /nfs/dbraw/zinc/99/43/41/890994341.db2.gz JTDHEEGVPRNUGU-SJORKVTESA-N 1 0 378.476 3.748 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000812864947 891082221 /nfs/dbraw/zinc/08/22/21/891082221.db2.gz BTRJIWCENNSGFS-PGRDOPGGSA-N 1 0 388.552 3.644 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812937167 891146260 /nfs/dbraw/zinc/14/62/60/891146260.db2.gz TYYGORMMKLUDFN-GCJKJVERSA-N 1 0 379.479 3.806 20 30 GHEDRO CC(C)c1ccc(-c2noc(CON=C(N)c3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000747838673 891271125 /nfs/dbraw/zinc/27/11/25/891271125.db2.gz HKJJATCYWQYPCI-UHFFFAOYSA-N 1 0 393.491 3.759 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1=S ZINC000872724730 891315257 /nfs/dbraw/zinc/31/52/57/891315257.db2.gz LDMBNCNKGNSETC-RTBURBONSA-N 1 0 383.565 3.559 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000287803894 913544613 /nfs/dbraw/zinc/54/46/13/913544613.db2.gz OPWBQTWTPCREHK-HOTGVXAUSA-N 1 0 375.538 3.645 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000497477658 891701885 /nfs/dbraw/zinc/70/18/85/891701885.db2.gz DUZXDNXNJTWTLZ-UHFFFAOYSA-N 1 0 393.325 3.569 20 30 GHEDRO C=CCn1c(-c2nc3ccccc3s2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000873660242 891731558 /nfs/dbraw/zinc/73/15/58/891731558.db2.gz YJAJXHWGJCJNRU-UHFFFAOYSA-N 1 0 382.537 3.708 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873666769 891737035 /nfs/dbraw/zinc/73/70/35/891737035.db2.gz PRPPKHLZBOXWSM-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nn(CN(C)CC2CCOCC2)c1=S ZINC000124748974 891899232 /nfs/dbraw/zinc/89/92/32/891899232.db2.gz ASNXFXHGZQIWPE-UHFFFAOYSA-N 1 0 388.537 3.592 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)ccc1C#N ZINC000813786655 891970920 /nfs/dbraw/zinc/97/09/20/891970920.db2.gz RACBTQNQMFTZGD-SFHVURJKSA-N 1 0 385.508 3.979 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000813859305 892029887 /nfs/dbraw/zinc/02/98/87/892029887.db2.gz RHCQCHCDGNTYQH-INIZCTEOSA-N 1 0 376.298 3.542 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc(OC)c1OC ZINC000813860081 892032253 /nfs/dbraw/zinc/03/22/53/892032253.db2.gz ONESEBBFVMCDJR-INIZCTEOSA-N 1 0 382.504 3.985 20 30 GHEDRO C#CCN(C(=O)CSCc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC001134044028 892207319 /nfs/dbraw/zinc/20/73/19/892207319.db2.gz RIJPPZKBQHJDQZ-UHFFFAOYSA-N 1 0 385.360 3.783 20 30 GHEDRO C#CCN1CCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000729808884 892223897 /nfs/dbraw/zinc/22/38/97/892223897.db2.gz GENOVKIAGXXIBS-QGZVFWFLSA-N 1 0 380.400 3.642 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000814183858 892377823 /nfs/dbraw/zinc/37/78/23/892377823.db2.gz OZJXOHADUNDNJX-DKSCHZSNSA-N 1 0 377.286 3.971 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000288125441 913664743 /nfs/dbraw/zinc/66/47/43/913664743.db2.gz YDMDSHFUXNJKSK-UHFFFAOYSA-N 1 0 390.409 3.581 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000875128716 892460154 /nfs/dbraw/zinc/46/01/54/892460154.db2.gz WHEZSQQDLQXOAD-MRXNPFEDSA-N 1 0 382.430 3.724 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C1CC[NH+](C)CC1 ZINC001134262991 892540405 /nfs/dbraw/zinc/54/04/05/892540405.db2.gz ZFVWUKBHDNVAIW-UHFFFAOYSA-N 1 0 387.483 3.829 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814331702 892545356 /nfs/dbraw/zinc/54/53/56/892545356.db2.gz NIGJUTMTCQSWBG-UHFFFAOYSA-N 1 0 387.527 3.810 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)NCCC(C)C)CC1)c1ccccc1 ZINC000271781185 892869196 /nfs/dbraw/zinc/86/91/96/892869196.db2.gz ZIWVZGSUEDYVNK-QFIPXVFZSA-N 1 0 399.579 3.684 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000068883366 892888113 /nfs/dbraw/zinc/88/81/13/892888113.db2.gz ZBOYSRBECQUHED-QGZVFWFLSA-N 1 0 388.493 3.657 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000814584791 892904283 /nfs/dbraw/zinc/90/42/83/892904283.db2.gz MOXPUYAAFUCEMO-UHFFFAOYSA-N 1 0 375.516 3.770 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+]1CCCCC1 ZINC000918034998 893031870 /nfs/dbraw/zinc/03/18/70/893031870.db2.gz GGYZCZYBARPUTC-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000933716523 893167947 /nfs/dbraw/zinc/16/79/47/893167947.db2.gz OPJKZQWKHBHIKR-OAHLLOKOSA-N 1 0 376.382 3.625 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000562932119 893183592 /nfs/dbraw/zinc/18/35/92/893183592.db2.gz BDWMTIPTCZAMFX-GHTZIAJQSA-N 1 0 394.544 3.816 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)c1 ZINC000217210829 893184050 /nfs/dbraw/zinc/18/40/50/893184050.db2.gz VMEKVAAIRAAHLI-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO CC(N=Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1)C1CC[NH+](C)CC1 ZINC000814850605 893237756 /nfs/dbraw/zinc/23/77/56/893237756.db2.gz VNQJKDLLFBUHDR-UHFFFAOYSA-N 1 0 378.402 3.687 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1C ZINC000876589190 893240595 /nfs/dbraw/zinc/24/05/95/893240595.db2.gz KESRJBPPOIKQTC-AHIWAGSCSA-N 1 0 377.916 3.522 20 30 GHEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000933854252 893259546 /nfs/dbraw/zinc/25/95/46/893259546.db2.gz DEWURXILGGGTQK-QGZVFWFLSA-N 1 0 379.545 3.807 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933871680 893272826 /nfs/dbraw/zinc/27/28/26/893272826.db2.gz JFBOGUSNPQJMOV-QFBILLFUSA-N 1 0 387.549 3.958 20 30 GHEDRO C=CCC(F)(F)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000815010118 893335256 /nfs/dbraw/zinc/33/52/56/893335256.db2.gz SDIXKAVZFYECSJ-UHFFFAOYSA-N 1 0 399.485 3.836 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000876998443 893426029 /nfs/dbraw/zinc/42/60/29/893426029.db2.gz HCCMNUJWSRUVCW-UHFFFAOYSA-N 1 0 392.837 3.967 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876997755 893426143 /nfs/dbraw/zinc/42/61/43/893426143.db2.gz GGGYHLSPNJGXOU-OAHLLOKOSA-N 1 0 397.910 3.714 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCCc1cccc(C#N)c1 ZINC000466820443 913770702 /nfs/dbraw/zinc/77/07/02/913770702.db2.gz BHSQDICNUZHKAT-UHFFFAOYSA-N 1 0 378.520 3.654 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CC2)CC1 ZINC000563239716 893512352 /nfs/dbraw/zinc/51/23/52/893512352.db2.gz UEFMZPJTVWNJCW-UHFFFAOYSA-N 1 0 375.879 3.598 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(OCC#N)cc2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001137116553 893518129 /nfs/dbraw/zinc/51/81/29/893518129.db2.gz IQLJJEYTDMDSNN-GMAHTHKFSA-N 1 0 381.520 3.735 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695070 893560011 /nfs/dbraw/zinc/56/00/11/893560011.db2.gz KPOAWEUOLMLPBB-FQEVSTJZSA-N 1 0 377.536 3.627 20 30 GHEDRO N#Cc1ncc(C(F)(F)F)cc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000563305102 893604542 /nfs/dbraw/zinc/60/45/42/893604542.db2.gz USJRILPEBCPYCH-UHFFFAOYSA-N 1 0 390.409 3.541 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000877545967 893680287 /nfs/dbraw/zinc/68/02/87/893680287.db2.gz NWHCLZPJOAHKRZ-QZTJIDSGSA-N 1 0 391.556 3.997 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000498274802 893861252 /nfs/dbraw/zinc/86/12/52/893861252.db2.gz JLESFTGAEPFLKA-NRFANRHFSA-N 1 0 387.572 3.816 20 30 GHEDRO C=CCCOCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000536840989 893916437 /nfs/dbraw/zinc/91/64/37/893916437.db2.gz UDXINSAADHVTGE-SFHVURJKSA-N 1 0 394.581 3.931 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000459684801 894003677 /nfs/dbraw/zinc/00/36/77/894003677.db2.gz DXBYHTLARTZWFU-JSGCOSHPSA-N 1 0 382.302 3.618 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000459664207 894023489 /nfs/dbraw/zinc/02/34/89/894023489.db2.gz ZRAFMKJLOVSUSY-HNNXBMFYSA-N 1 0 396.329 3.962 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1)c1ccccc1 ZINC000878137351 894044762 /nfs/dbraw/zinc/04/47/62/894044762.db2.gz SUNQGAMLNGTDPS-ISKFKSNPSA-N 1 0 376.500 3.966 20 30 GHEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000459728192 894118977 /nfs/dbraw/zinc/11/89/77/894118977.db2.gz IGDLBGBMQBPQIN-ZWKOTPCHSA-N 1 0 395.503 3.998 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000459791191 894204485 /nfs/dbraw/zinc/20/44/85/894204485.db2.gz SRYCHXFQOMKWBD-SVFBPWRDSA-N 1 0 376.504 3.742 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Cc2cccc(OCC#N)c2)CCCC1)c1ccccc1 ZINC000127075772 894223938 /nfs/dbraw/zinc/22/39/38/894223938.db2.gz FZPROPKBANOAFC-IBGZPJMESA-N 1 0 391.515 3.911 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 ZINC000022687426 894278607 /nfs/dbraw/zinc/27/86/07/894278607.db2.gz HOEXOXCICZNDKN-UHFFFAOYSA-O 1 0 387.475 3.846 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000563877106 894287935 /nfs/dbraw/zinc/28/79/35/894287935.db2.gz CJNSWGAEKUSBBO-FUHWJXTLSA-N 1 0 385.943 3.771 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000537104538 894317557 /nfs/dbraw/zinc/31/75/57/894317557.db2.gz FEZZQTOVEFHONA-CYBMUJFWSA-N 1 0 375.519 3.648 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](COc1c(C)cccc1C)c1ccccc1 ZINC000537124277 894348823 /nfs/dbraw/zinc/34/88/23/894348823.db2.gz JGWJXTVOCZSSDL-OAQYLSRUSA-N 1 0 379.504 3.775 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC[C@H]21 ZINC000878619174 894445491 /nfs/dbraw/zinc/44/54/91/894445491.db2.gz AHPBTAMNTHRJGY-LAUBAEHRSA-N 1 0 376.460 3.908 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)ccc1OC ZINC000127268666 894491000 /nfs/dbraw/zinc/49/10/00/894491000.db2.gz PWSUQQIGSWNHRU-JOCHJYFZSA-N 1 0 396.531 3.813 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC2(CC1)OCCc1ccccc12)c1ccccc1 ZINC000878695463 894517309 /nfs/dbraw/zinc/51/73/09/894517309.db2.gz KOGNRJQMGHEMEK-DEOSSOPVSA-N 1 0 388.511 3.991 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CCOCC1 ZINC000537225039 894598446 /nfs/dbraw/zinc/59/84/46/894598446.db2.gz QSIBJNVLTVNRFY-HXUWFJFHSA-N 1 0 386.540 3.825 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC2(CC#N)CC2)CC[C@@H]1C(F)(F)F ZINC000879036484 894799163 /nfs/dbraw/zinc/79/91/63/894799163.db2.gz LGHFAESQGQNRRO-KGLIPLIRSA-N 1 0 375.435 3.705 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC2(CC#N)CC2)CC[C@H]1C(F)(F)F ZINC000879036485 894799602 /nfs/dbraw/zinc/79/96/02/894799602.db2.gz LGHFAESQGQNRRO-UONOGXRCSA-N 1 0 375.435 3.705 20 30 GHEDRO Cc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000778409605 894897506 /nfs/dbraw/zinc/89/75/06/894897506.db2.gz INEBDZWHLXQFTK-KRWDZBQOSA-N 1 0 378.520 3.768 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000816766605 895059870 /nfs/dbraw/zinc/05/98/70/895059870.db2.gz BYCSEVKDKMPGOA-HNNXBMFYSA-N 1 0 390.443 3.701 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000564844565 895278293 /nfs/dbraw/zinc/27/82/93/895278293.db2.gz JEKYTMQSVNEGOP-RPBOFIJWSA-N 1 0 394.559 3.702 20 30 GHEDRO N#CCCC1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000564916660 895309831 /nfs/dbraw/zinc/30/98/31/895309831.db2.gz QXCZGNMLAGZSQX-UHFFFAOYSA-N 1 0 376.504 3.799 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000565044637 895365794 /nfs/dbraw/zinc/36/57/94/895365794.db2.gz RQIAEBGHIXOPGJ-AEFFLSMTSA-N 1 0 375.787 3.879 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000565044650 895365973 /nfs/dbraw/zinc/36/59/73/895365973.db2.gz RQIAEBGHIXOPGJ-SJLPKXTDSA-N 1 0 375.787 3.879 20 30 GHEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000817276954 895463754 /nfs/dbraw/zinc/46/37/54/895463754.db2.gz VLVQVKODQNTMKJ-QHCPKHFHSA-N 1 0 390.462 3.656 20 30 GHEDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Cl)c1OC ZINC000565270443 895491697 /nfs/dbraw/zinc/49/16/97/895491697.db2.gz CPFXPYMKKUNHRD-UHFFFAOYSA-N 1 0 387.911 3.793 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1OC ZINC000565277605 895498126 /nfs/dbraw/zinc/49/81/26/895498126.db2.gz XJOFIRXGPSUWBD-SFHVURJKSA-N 1 0 398.341 3.909 20 30 GHEDRO CCOC(=O)c1sc([C@@H]2CC[N@H+](CCCC3(C#N)CCOCC3)C2)nc1C ZINC000880324739 895640586 /nfs/dbraw/zinc/64/05/86/895640586.db2.gz MKABTNZDPIUWKV-MRXNPFEDSA-N 1 0 391.537 3.518 20 30 GHEDRO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)CC1 ZINC000888808169 895642681 /nfs/dbraw/zinc/64/26/81/895642681.db2.gz QPKXFIPEEIVNSW-UHFFFAOYSA-N 1 0 385.552 3.876 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCCCCC1 ZINC001135928967 895653379 /nfs/dbraw/zinc/65/33/79/895653379.db2.gz LTJFDCSYUOBWIP-GOSISDBHSA-N 1 0 381.561 3.618 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001137154213 895688793 /nfs/dbraw/zinc/68/87/93/895688793.db2.gz ZLZFCVLYRKMBOB-JXXBKOHCSA-N 1 0 376.500 3.903 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCOC1 ZINC000880464729 895718169 /nfs/dbraw/zinc/71/81/69/895718169.db2.gz IPOIUTAQIFUUML-YOEHRIQHSA-N 1 0 375.538 3.622 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC000880714232 895824975 /nfs/dbraw/zinc/82/49/75/895824975.db2.gz LGYVUOJTJNJOLO-ZDUSSCGKSA-N 1 0 385.418 3.579 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC001136025960 895928504 /nfs/dbraw/zinc/92/85/04/895928504.db2.gz FUJVOOXZSQJUHW-SFTDATJTSA-N 1 0 377.463 3.809 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000565904614 895970325 /nfs/dbraw/zinc/97/03/25/895970325.db2.gz XJELVCDINSLXGR-QGZVFWFLSA-N 1 0 398.511 3.598 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C(F)(F)F)c1 ZINC000880932761 896010906 /nfs/dbraw/zinc/01/09/06/896010906.db2.gz QQMJECPBLJOHKF-SFHVURJKSA-N 1 0 394.441 3.822 20 30 GHEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818164316 896050440 /nfs/dbraw/zinc/05/04/40/896050440.db2.gz ISUQDYKCJGRROD-GOSISDBHSA-N 1 0 380.554 3.744 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000566067003 896088502 /nfs/dbraw/zinc/08/85/02/896088502.db2.gz YXJIYRFLHNELLC-OAHLLOKOSA-N 1 0 377.370 3.804 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CC#N)n1)c1cccc(C(F)(F)F)c1 ZINC000881147889 896198187 /nfs/dbraw/zinc/19/81/87/896198187.db2.gz RVHVRTKGBRDEIR-INIZCTEOSA-N 1 0 391.397 3.591 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000818592810 896229578 /nfs/dbraw/zinc/22/95/78/896229578.db2.gz ACBONBGDALAHKG-UHFFFAOYSA-N 1 0 395.450 3.822 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000819183901 896452248 /nfs/dbraw/zinc/45/22/48/896452248.db2.gz UBXRARUEXVBTGX-IMRHEYAYSA-N 1 0 380.488 3.507 20 30 GHEDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000819232834 896523077 /nfs/dbraw/zinc/52/30/77/896523077.db2.gz PYXWOWCMSCMHIT-OALUTQOASA-N 1 0 377.410 3.503 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCC2(CCC2)O1 ZINC000882083237 896654705 /nfs/dbraw/zinc/65/47/05/896654705.db2.gz YSCZLINXKPYOKC-KRWDZBQOSA-N 1 0 376.570 3.686 20 30 GHEDRO N#Cc1ccc(C2(C(=O)Nc3ccc(N4CC[N@@H+]5CCC[C@H]5C4)cc3)CC2)cc1 ZINC000882395033 896786826 /nfs/dbraw/zinc/78/68/26/896786826.db2.gz NXNXWYYGCUEVNO-QFIPXVFZSA-N 1 0 386.499 3.513 20 30 GHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)s2)cs1 ZINC000567496676 897204189 /nfs/dbraw/zinc/20/41/89/897204189.db2.gz MOJLFXKQJOQYPP-MRXNPFEDSA-N 1 0 399.541 3.624 20 30 GHEDRO COCC[N@H+](CCCc1ccccc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131092416 897319687 /nfs/dbraw/zinc/31/96/87/897319687.db2.gz OIXBNSMYHBOMKI-UHFFFAOYSA-N 1 0 389.503 3.664 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCc2ccon2)[n+]2ccc(CC)cc2)cc1 ZINC000131094329 897320337 /nfs/dbraw/zinc/32/03/37/897320337.db2.gz IJFFRTZNIXZBNB-UHFFFAOYSA-O 1 0 394.520 3.816 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883170676 897340337 /nfs/dbraw/zinc/34/03/37/897340337.db2.gz ZIYNTBSXUHBANE-KNQAVFIVSA-N 1 0 380.488 3.812 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000820494098 897358943 /nfs/dbraw/zinc/35/89/43/897358943.db2.gz BVHSXYQRAMAVEJ-HXUWFJFHSA-N 1 0 389.421 3.552 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)[C@H]1CCCO1 ZINC000883220921 897380591 /nfs/dbraw/zinc/38/05/91/897380591.db2.gz RCVAVPPLPNIMBQ-MIZPHKNDSA-N 1 0 397.519 3.515 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1)[C@H]1CCCO1 ZINC000883227815 897387832 /nfs/dbraw/zinc/38/78/32/897387832.db2.gz YYRLMKNCUPBJPW-XZOQPEGZSA-N 1 0 385.552 3.713 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H]([C@@H]2CCOC2)C1 ZINC000883231871 897390243 /nfs/dbraw/zinc/39/02/43/897390243.db2.gz VECWGUIQSLJMBR-NJYVYQBISA-N 1 0 399.535 3.504 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000567795716 897403825 /nfs/dbraw/zinc/40/38/25/897403825.db2.gz KFQKLEFNEGMONC-ICSRJNTNSA-N 1 0 383.540 3.518 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(Br)cc2C#N)([NH+](C)C)C1 ZINC001136359958 897469274 /nfs/dbraw/zinc/46/92/74/897469274.db2.gz BIIWQZOORXMFOV-FZKQIMNGSA-N 1 0 378.314 3.561 20 30 GHEDRO CC(C)(C)OC(=O)NCC1(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CCC1 ZINC000820851698 897585846 /nfs/dbraw/zinc/58/58/46/897585846.db2.gz QWUKKAPGYQFKDC-HXUWFJFHSA-N 1 0 398.551 3.564 20 30 GHEDRO Cn1cc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000821022729 897669909 /nfs/dbraw/zinc/66/99/09/897669909.db2.gz TZVJBTCAZWDEON-XFXZXTDPSA-N 1 0 390.443 3.953 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Cc4cccc(F)c4)CC3)C2=O)cc1 ZINC000568537025 897919355 /nfs/dbraw/zinc/91/93/55/897919355.db2.gz APIYCBBWAARNNW-QFIPXVFZSA-N 1 0 377.463 3.757 20 30 GHEDRO O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001136467081 897953275 /nfs/dbraw/zinc/95/32/75/897953275.db2.gz OFMDZVYXCCRKCI-YHYXMXQVSA-N 1 0 398.503 3.638 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)CCCCC#N)cc1 ZINC000104110229 898126238 /nfs/dbraw/zinc/12/62/38/898126238.db2.gz JKFDGNACPBNWSC-UHFFFAOYSA-N 1 0 385.533 3.528 20 30 GHEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000105306480 898205054 /nfs/dbraw/zinc/20/50/54/898205054.db2.gz KUCTWFXPTQOLAD-SFHVURJKSA-N 1 0 385.537 3.548 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCOc3ccccc32)c(OC)c1 ZINC000568992210 898261585 /nfs/dbraw/zinc/26/15/85/898261585.db2.gz ZXXMTXMNHJFFDG-QUCCMNQESA-N 1 0 383.488 3.667 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000569189642 898402180 /nfs/dbraw/zinc/40/21/80/898402180.db2.gz FJMROTMXBDONCA-IIMDRIAPSA-N 1 0 382.504 3.555 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000822592480 898515608 /nfs/dbraw/zinc/51/56/08/898515608.db2.gz FOVXXKGYBSICQB-NRFANRHFSA-N 1 0 399.535 3.531 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2cccc(C(=O)OC)c2)C(=S)NC)cc1 ZINC000133501790 898516386 /nfs/dbraw/zinc/51/63/86/898516386.db2.gz BKNFKEWBTZEITK-UHFFFAOYSA-O 1 0 399.536 3.823 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)CC1 ZINC000155338804 898643822 /nfs/dbraw/zinc/64/38/22/898643822.db2.gz IEEBPYMMHOOTLK-UHFFFAOYSA-N 1 0 388.924 3.508 20 30 GHEDRO C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+](C2CC2)C1 ZINC000569427629 898649978 /nfs/dbraw/zinc/64/99/78/898649978.db2.gz UVFRSSMCXPIUNK-SFHVURJKSA-N 1 0 389.499 3.694 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000822883634 898684556 /nfs/dbraw/zinc/68/45/56/898684556.db2.gz KULRMAYDFHGQEX-GOSISDBHSA-N 1 0 382.529 3.792 20 30 GHEDRO N#CC1(CCCOC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000800174107 898704285 /nfs/dbraw/zinc/70/42/85/898704285.db2.gz MZXMCYGPDSSDPT-IBGZPJMESA-N 1 0 388.483 3.681 20 30 GHEDRO Fc1c2c(cnc1NCCCS)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001171000689 898793541 /nfs/dbraw/zinc/79/35/41/898793541.db2.gz CEGTXSWAQAEURQ-UHFFFAOYSA-N 1 0 387.524 3.974 20 30 GHEDRO N#Cc1cc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000569681317 898881007 /nfs/dbraw/zinc/88/10/07/898881007.db2.gz AJNQQVKBDYBEJL-IEBWSBKVSA-N 1 0 378.451 3.683 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCCN2CCc2c(Cl)cccc2Cl)C1=O ZINC001276332567 914298571 /nfs/dbraw/zinc/29/85/71/914298571.db2.gz WMJAHOKLWMOGQA-IBGZPJMESA-N 1 0 380.319 3.907 20 30 GHEDRO C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1Oc1ccccc1 ZINC000884117915 898945028 /nfs/dbraw/zinc/94/50/28/898945028.db2.gz PEIYLCGUILVKAO-GRJHGRLYSA-N 1 0 375.472 3.795 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1-c1ccc(Cl)cc1)C2 ZINC000884119091 898950565 /nfs/dbraw/zinc/95/05/65/898950565.db2.gz AYQQQPANUXKMFM-WUZYXKQASA-N 1 0 379.891 3.763 20 30 GHEDRO Cc1oc(NC(=O)CN2CCC(c3noc4cc(F)ccc43)CC2)c(C#N)c1C ZINC000289727457 914316894 /nfs/dbraw/zinc/31/68/94/914316894.db2.gz IURSLQFOALDZSR-UHFFFAOYSA-N 1 0 396.422 3.867 20 30 GHEDRO C[C@@H]1CC2(C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642645 899154410 /nfs/dbraw/zinc/15/44/10/899154410.db2.gz HXAYRPBTBJRNOJ-XLIONFOSSA-N 1 0 399.535 3.703 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(Oc3ccncc3)c(Cl)c1)C2 ZINC000884209397 899368929 /nfs/dbraw/zinc/36/89/29/899368929.db2.gz ZJNYUITYFDYZQK-LQZXRHCMSA-N 1 0 382.851 3.605 20 30 GHEDRO N#CCCOCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000570585949 899410783 /nfs/dbraw/zinc/41/07/83/899410783.db2.gz UNZIOIPRXUGAIS-UHFFFAOYSA-N 1 0 382.439 3.758 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccc(C)cc2)cc1 ZINC000134128824 899646314 /nfs/dbraw/zinc/64/63/14/899646314.db2.gz BLPXBTYJDGVQQP-HXUWFJFHSA-O 1 0 397.564 3.942 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccc(C)cc2)cc1 ZINC000134128573 899646326 /nfs/dbraw/zinc/64/63/26/899646326.db2.gz BLPXBTYJDGVQQP-FQEVSTJZSA-O 1 0 397.564 3.942 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000119696815 899666958 /nfs/dbraw/zinc/66/69/58/899666958.db2.gz VHYPANIXHODAOR-UHFFFAOYSA-N 1 0 392.547 3.853 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119721555 899671477 /nfs/dbraw/zinc/67/14/77/899671477.db2.gz OXARCCMNXGGDQS-YOEHRIQHSA-N 1 0 375.538 3.955 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000571605248 899924430 /nfs/dbraw/zinc/92/44/30/899924430.db2.gz BUVOWRSDWLLMFI-INIZCTEOSA-N 1 0 379.464 3.597 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC(C)(C)CCC#N)CC12CCOCC2 ZINC000825024770 899939463 /nfs/dbraw/zinc/93/94/63/899939463.db2.gz UTTHTHRVDWKPET-QGZVFWFLSA-N 1 0 379.545 3.570 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000825337635 900103361 /nfs/dbraw/zinc/10/33/61/900103361.db2.gz HRZXWWCOLNIXQI-FZKQIMNGSA-N 1 0 375.266 3.563 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H](O)c2ccccc2Br)cc(OC)c1O ZINC000825344784 900108729 /nfs/dbraw/zinc/10/87/29/900108729.db2.gz XZXGUPNKDRJXBW-KRWDZBQOSA-N 1 0 392.293 3.715 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1c(-c2cccs2)nc2ccccn21 ZINC000572412898 900174366 /nfs/dbraw/zinc/17/43/66/900174366.db2.gz CVGHJMDXZVFFOF-UHFFFAOYSA-N 1 0 396.520 3.762 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2OCC#N)[NH+]2CCCC2)o1 ZINC000135302642 900218728 /nfs/dbraw/zinc/21/87/28/900218728.db2.gz KOPMJKCIKXGCOR-KRWDZBQOSA-N 1 0 386.427 3.588 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135311810 900219829 /nfs/dbraw/zinc/21/98/29/900219829.db2.gz RVHRXLQFXQUKOY-GASCZTMLSA-N 1 0 376.476 3.606 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135304111 900220081 /nfs/dbraw/zinc/22/00/81/900220081.db2.gz FJAZJLVKEMWUGD-IRXDYDNUSA-N 1 0 388.487 3.846 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135342139 900227082 /nfs/dbraw/zinc/22/70/82/900227082.db2.gz FODSFQQXQUPKSF-SFHVURJKSA-N 1 0 396.466 3.714 20 30 GHEDRO Cn1nc(CCC[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)cc1-c1ccc(F)cc1 ZINC000885970691 900659042 /nfs/dbraw/zinc/65/90/42/900659042.db2.gz HPVNGWPNRVEJDH-FQEVSTJZSA-N 1 0 384.499 3.535 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000885974794 900660304 /nfs/dbraw/zinc/66/03/04/900660304.db2.gz CHCITQARHCFRJO-GUDVDZBRSA-N 1 0 391.556 3.543 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)CC2 ZINC000573847579 900664030 /nfs/dbraw/zinc/66/40/30/900664030.db2.gz IALFYRAAZNGUTI-JXFKEZNVSA-N 1 0 385.305 3.749 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)cc(OC)c2OC)ccc1OC ZINC000885981755 900664992 /nfs/dbraw/zinc/66/49/92/900664992.db2.gz MOLJRLUSINPOOF-GOSISDBHSA-N 1 0 384.476 3.992 20 30 GHEDRO C/C(=C\C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1)C(=O)c1ccc(Br)cc1 ZINC001143883497 900682244 /nfs/dbraw/zinc/68/22/44/900682244.db2.gz CWMKILIDJOUEIQ-WKOYGUFESA-N 1 0 393.325 3.519 20 30 GHEDRO C[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371317 900736600 /nfs/dbraw/zinc/73/66/00/900736600.db2.gz MIFJFHLIJLOZOY-YLJYHZDGSA-N 1 0 387.524 3.561 20 30 GHEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000844354762 900756438 /nfs/dbraw/zinc/75/64/38/900756438.db2.gz RWTHVVFVCXFPRW-UHFFFAOYSA-N 1 0 387.524 3.601 20 30 GHEDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C)c1 ZINC000844367231 900777468 /nfs/dbraw/zinc/77/74/68/900777468.db2.gz SVLLTODRBNVPCJ-NRFANRHFSA-N 1 0 379.504 3.868 20 30 GHEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000574126838 900787199 /nfs/dbraw/zinc/78/71/99/900787199.db2.gz GSCUJUUBNIHJJO-RKVPGOIHSA-N 1 0 381.442 3.651 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(Br)c(Br)s2)CCOCC1 ZINC000886379362 900966833 /nfs/dbraw/zinc/96/68/33/900966833.db2.gz YOQWFAYDSWCUKF-UHFFFAOYSA-N 1 0 393.144 3.935 20 30 GHEDRO C=CC[C@@H]1N(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCC1(C)C ZINC000575079283 901110515 /nfs/dbraw/zinc/11/05/15/901110515.db2.gz LHDIAFNAZJWRPV-YADHBBJMSA-N 1 0 398.595 3.751 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cc(C4CC4)ccn3)CC2)c1 ZINC000844667231 901155835 /nfs/dbraw/zinc/15/58/35/901155835.db2.gz OVAPQIUAMDRATN-UHFFFAOYSA-N 1 0 375.476 3.617 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccccc1OCC#N ZINC000844715056 901193922 /nfs/dbraw/zinc/19/39/22/901193922.db2.gz FMHLAFRTTZAPDW-IPMKNSEASA-N 1 0 377.488 3.712 20 30 GHEDRO CCCCCC[C@@]1(C)NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O ZINC000844739459 901255732 /nfs/dbraw/zinc/25/57/32/901255732.db2.gz GEVNVGHZWVXWRI-HSZRJFAPSA-N 1 0 396.535 3.804 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979526 901370168 /nfs/dbraw/zinc/37/01/68/901370168.db2.gz ODEZZIYALZFMED-INIZCTEOSA-N 1 0 387.549 3.552 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C\c3ccc4[nH]ccc4c3)CC2)c1 ZINC000845001778 901629621 /nfs/dbraw/zinc/62/96/21/901629621.db2.gz DJBJPQMZJAGGED-ALCCZGGFSA-N 1 0 384.483 3.834 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(C4CC4)cnc3Cl)CC2)c1 ZINC000845003107 901633689 /nfs/dbraw/zinc/63/36/89/901633689.db2.gz QKLKNLCWQLBURF-UHFFFAOYSA-N 1 0 394.906 3.878 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 ZINC000845005944 901636231 /nfs/dbraw/zinc/63/62/31/901636231.db2.gz AJXLJRPNMQLTNO-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO C[C@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000123133800 901901899 /nfs/dbraw/zinc/90/18/99/901901899.db2.gz NYPXODZQGUWGFU-JXFKEZNVSA-N 1 0 390.443 3.650 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2)c1ccccc1 ZINC000290213025 914577079 /nfs/dbraw/zinc/57/70/79/914577079.db2.gz VHZLJFKVYCSLJV-QHCPKHFHSA-N 1 0 389.499 3.617 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC[N@H+](Cc4cnn(C)c4)CC3)c2c1 ZINC000333284370 901971662 /nfs/dbraw/zinc/97/16/62/901971662.db2.gz KESIFYWPORVYTR-UHFFFAOYSA-N 1 0 388.519 3.676 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]2CCO[C@@H]21 ZINC000333388739 902056489 /nfs/dbraw/zinc/05/64/89/902056489.db2.gz GPWXUXDNIWWBSK-KYNGSXCRSA-N 1 0 387.549 3.620 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001171179027 902122441 /nfs/dbraw/zinc/12/24/41/902122441.db2.gz OIHSFMCEEMGLKK-FXAWDEMLSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1F ZINC001171183606 902177637 /nfs/dbraw/zinc/17/76/37/902177637.db2.gz GSBKUNLEXAXCNV-MNEFBYGVSA-N 1 0 375.488 3.674 20 30 GHEDRO Cc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c(CN2CCOCC2)c1 ZINC001171184734 902188782 /nfs/dbraw/zinc/18/87/82/902188782.db2.gz AIDOUCXAGIHNOZ-UHFFFAOYSA-N 1 0 375.472 3.723 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](O)CC23CCC3)sc2c1CCCCC2 ZINC000333586728 902207891 /nfs/dbraw/zinc/20/78/91/902207891.db2.gz USNAMGHTMDBCGU-HNNXBMFYSA-N 1 0 387.549 3.597 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)OC)cc1F)[C@@H]2CC ZINC001144440813 902216098 /nfs/dbraw/zinc/21/60/98/902216098.db2.gz PENMNSZHLLCZEX-KNQAVFIVSA-N 1 0 388.483 3.534 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000576796850 902269483 /nfs/dbraw/zinc/26/94/83/902269483.db2.gz HRZPZKPYBVWNGB-FSSWDIPSSA-N 1 0 385.552 3.569 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000845664535 902315850 /nfs/dbraw/zinc/31/58/50/902315850.db2.gz CCPQAIJBUXPBNE-QGZVFWFLSA-N 1 0 397.350 3.605 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)nn1-c1cccc(C#N)c1 ZINC001144597272 902414162 /nfs/dbraw/zinc/41/41/62/902414162.db2.gz ZPOILTUKPKAQLK-UHFFFAOYSA-N 1 0 394.438 3.865 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@@H](C)[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC001144705291 902670599 /nfs/dbraw/zinc/67/05/99/902670599.db2.gz YYYKWSSFZOXHMP-QGZVFWFLSA-N 1 0 396.487 3.506 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001171210337 902676936 /nfs/dbraw/zinc/67/69/36/902676936.db2.gz SNRTWUMQPIGAEE-AVRDEDQJSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(C(=O)c3ccco3)C2)CC1 ZINC001171213137 902709545 /nfs/dbraw/zinc/70/95/45/902709545.db2.gz VMONHUIFYAFYRZ-SFHVURJKSA-N 1 0 377.488 3.711 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001171215558 902748301 /nfs/dbraw/zinc/74/83/01/902748301.db2.gz AOCKJNXJJOGOGV-KREFBHGWSA-N 1 0 397.544 3.642 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC001171218322 902776298 /nfs/dbraw/zinc/77/62/98/902776298.db2.gz UOBFLTFOXUZXHD-WMZHIEFXSA-N 1 0 387.527 3.970 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001171219195 902794516 /nfs/dbraw/zinc/79/45/16/902794516.db2.gz ZZLIMIASAXKRLQ-IBGZPJMESA-N 1 0 388.515 3.513 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000600735769 902859274 /nfs/dbraw/zinc/85/92/74/902859274.db2.gz VFUJWBWXBDUHQK-GOSISDBHSA-N 1 0 390.405 3.638 20 30 GHEDRO C[N@H+](Cc1ccccc1NC[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600739625 902861579 /nfs/dbraw/zinc/86/15/79/902861579.db2.gz RLFZJRQTYRIBRG-NRFANRHFSA-N 1 0 385.552 3.934 20 30 GHEDRO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)c1 ZINC000600740972 902862815 /nfs/dbraw/zinc/86/28/15/902862815.db2.gz LZZHWKPFHNMWJO-QGZVFWFLSA-N 1 0 382.460 3.640 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048160807 902979807 /nfs/dbraw/zinc/97/98/07/902979807.db2.gz YOOKUSQFILMYQH-UHFFFAOYSA-N 1 0 398.551 3.722 20 30 GHEDRO C=CC1CCN(C(=O)NCc2ccc(OCC[NH+](CC)CC)c(OC)c2)CC1 ZINC000600854515 903008139 /nfs/dbraw/zinc/00/81/39/903008139.db2.gz QWBZHTKDEJRMKN-UHFFFAOYSA-N 1 0 389.540 3.523 20 30 GHEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000543739644 903094961 /nfs/dbraw/zinc/09/49/61/903094961.db2.gz LWTOBMMNWYTKEA-YFXJRYMSSA-N 1 0 394.563 3.686 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000264559218 903199671 /nfs/dbraw/zinc/19/96/71/903199671.db2.gz NWGGIXGFKLQLGU-HXUWFJFHSA-N 1 0 392.503 3.931 20 30 GHEDRO C#CC[N@@H+](CCCc1cncn1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846804879 903230055 /nfs/dbraw/zinc/23/00/55/903230055.db2.gz RCEQZHSKAURUEB-GOSISDBHSA-N 1 0 388.309 3.574 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(C#N)c(Cl)n1 ZINC000283007749 903262565 /nfs/dbraw/zinc/26/25/65/903262565.db2.gz LGSGNNAGLOCSTM-UHFFFAOYSA-N 1 0 386.908 3.716 20 30 GHEDRO CC(C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000578021691 903451727 /nfs/dbraw/zinc/45/17/27/903451727.db2.gz UCJBRSNXJOQSBV-VQTJNVASSA-N 1 0 381.907 3.974 20 30 GHEDRO COc1nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C#N)c(C)c1Cl ZINC001171274435 903466612 /nfs/dbraw/zinc/46/66/12/903466612.db2.gz ICOKKRGQNDPHNY-UHFFFAOYSA-N 1 0 395.894 3.894 20 30 GHEDRO N#CC1(Nc2ccnc(-c3cncs3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001171274757 903472377 /nfs/dbraw/zinc/47/23/77/903472377.db2.gz GYRTVJAPGFPASI-UHFFFAOYSA-N 1 0 376.489 3.570 20 30 GHEDRO COc1ccc2nc(C)nc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC001171274857 903473360 /nfs/dbraw/zinc/47/33/60/903473360.db2.gz PGPTVEGMYUITGH-UHFFFAOYSA-N 1 0 387.487 3.917 20 30 GHEDRO N#CCc1ccccc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000601278826 903531672 /nfs/dbraw/zinc/53/16/72/903531672.db2.gz YVQQVFQKBAZSAG-UHFFFAOYSA-N 1 0 391.515 3.554 20 30 GHEDRO CCOCCC[NH+]=C(NCc1sccc1C)NCc1ccc(OC)cc1 ZINC000303361021 914729259 /nfs/dbraw/zinc/72/92/59/914729259.db2.gz CDSBXHMZRHLRHQ-UHFFFAOYSA-N 1 0 375.538 3.727 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134771832 903569083 /nfs/dbraw/zinc/56/90/83/903569083.db2.gz YBJHAWMIFCEVDE-FPOVZHCZSA-N 1 0 381.451 3.614 20 30 GHEDRO COC(=O)c1nc2cccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2o1 ZINC001171282561 903582882 /nfs/dbraw/zinc/58/28/82/903582882.db2.gz SMCUUDMBAITMKL-UHFFFAOYSA-N 1 0 390.443 3.585 20 30 GHEDRO C=CCNC(=[NH2+])NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000303365336 914731279 /nfs/dbraw/zinc/73/12/79/914731279.db2.gz GLPAGLZLDWHZMI-GOSISDBHSA-N 1 0 386.590 3.660 20 30 GHEDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)c2)C1 ZINC000887736923 903695100 /nfs/dbraw/zinc/69/51/00/903695100.db2.gz LUBUDMIWAIALTB-PKTZIBPZSA-N 1 0 389.499 3.581 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000772983762 903837477 /nfs/dbraw/zinc/83/74/77/903837477.db2.gz LQVAOYOZMCPSJT-DNVCBOLYSA-N 1 0 387.505 3.590 20 30 GHEDRO CC(C)n1c(Sc2nc(C(F)(F)F)ccc2C#N)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265375713 903848724 /nfs/dbraw/zinc/84/87/24/903848724.db2.gz BOJODEFBIONBST-GFCCVEGCSA-N 1 0 396.442 3.763 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2OC)c1 ZINC000772984762 903863535 /nfs/dbraw/zinc/86/35/35/903863535.db2.gz PYYAZVGRKQOWSX-SJLPKXTDSA-N 1 0 381.476 3.883 20 30 GHEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000578601461 904001029 /nfs/dbraw/zinc/00/10/29/904001029.db2.gz CRFPJCDNFJFCIB-SFTDATJTSA-N 1 0 398.576 3.680 20 30 GHEDRO C=CCOc1ccc(C(=O)N(c2cccc(C)c2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001148466821 904079085 /nfs/dbraw/zinc/07/90/85/904079085.db2.gz XWMLVDPVYXQHJM-QPPBQGQZSA-N 1 0 392.499 3.728 20 30 GHEDRO Cc1c(F)c(F)cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1F ZINC001148738506 904178610 /nfs/dbraw/zinc/17/86/10/904178610.db2.gz VKVGVWYNRJLKFN-UHFFFAOYSA-N 1 0 387.405 3.701 20 30 GHEDRO C[C@@H](OC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000779123183 904358471 /nfs/dbraw/zinc/35/84/71/904358471.db2.gz ZIUFGXKTGLPFLT-QGZVFWFLSA-N 1 0 385.508 3.518 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171371570 904373951 /nfs/dbraw/zinc/37/39/51/904373951.db2.gz PBGDBLQZTDPSQE-STZQEDGTSA-N 1 0 377.475 3.896 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030549 904387768 /nfs/dbraw/zinc/38/77/68/904387768.db2.gz SMXZKBZHRYROOV-LBPRGKRZSA-N 1 0 390.256 3.967 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001171375995 904403149 /nfs/dbraw/zinc/40/31/49/904403149.db2.gz KBEFGXJNYPOXRV-QGZVFWFLSA-N 1 0 379.504 3.906 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC[C@H]1F ZINC001171532551 904756231 /nfs/dbraw/zinc/75/62/31/904756231.db2.gz CVUHJRBBMFVGJE-OWRWGESLSA-N 1 0 385.323 3.689 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)C1=O ZINC001171593162 904819629 /nfs/dbraw/zinc/81/96/29/904819629.db2.gz KCQYTVHUMKCIEX-SQNIBIBYSA-N 1 0 393.572 3.567 20 30 GHEDRO Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001171570689 904836950 /nfs/dbraw/zinc/83/69/50/904836950.db2.gz HJTMDIZQYQWSOB-SQJMNOBHSA-N 1 0 385.511 3.853 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(OC)ccc3Cl)C2)C1 ZINC001137260291 904880044 /nfs/dbraw/zinc/88/00/44/904880044.db2.gz LOAOZLMDSMNOIR-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+]C1CCC(c2ccc(Br)cc2)CC1)C(=O)NO ZINC001171650370 904897058 /nfs/dbraw/zinc/89/70/58/904897058.db2.gz RCGGXTSFKSWGEC-XNPDXQRHSA-N 1 0 383.330 3.985 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)CC1 ZINC000189278208 905050793 /nfs/dbraw/zinc/05/07/93/905050793.db2.gz OIYISBZWAIWSFR-UHFFFAOYSA-N 1 0 399.535 3.755 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](C1CCC(C(=O)OC(C)(C)C)CC1)CC2 ZINC001171922404 905175673 /nfs/dbraw/zinc/17/56/73/905175673.db2.gz WGMCVMUOQWWCFY-UHFFFAOYSA-N 1 0 392.540 3.607 20 30 GHEDRO CCOC(=O)C1(C#N)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172084076 905297049 /nfs/dbraw/zinc/29/70/49/905297049.db2.gz UCXNSMLCNDTMAC-KOUNCHBCSA-N 1 0 395.547 3.741 20 30 GHEDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CCCC(C)(C)C#N)CC3)cc2NC1=O ZINC000174843080 905367964 /nfs/dbraw/zinc/36/79/64/905367964.db2.gz GVYUGDLEILREDI-OAHLLOKOSA-N 1 0 383.492 3.631 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000174924362 905391119 /nfs/dbraw/zinc/39/11/19/905391119.db2.gz NUUCKJWYBDYTMP-FQTAANOTSA-N 1 0 389.499 3.583 20 30 GHEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1occc1COc1cccc(C#N)c1)C2 ZINC000175035670 905429084 /nfs/dbraw/zinc/42/90/84/905429084.db2.gz WNMVZIAOIHCBRV-VQTJNVASSA-N 1 0 393.487 3.818 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001172304797 905459584 /nfs/dbraw/zinc/45/95/84/905459584.db2.gz PUTNYRTYOAAVMF-LWZKNFMGSA-N 1 0 391.515 3.723 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172310967 905468973 /nfs/dbraw/zinc/46/89/73/905468973.db2.gz MOQUQYRQGQHKSM-QGZVFWFLSA-N 1 0 375.472 3.913 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001172290317 905480004 /nfs/dbraw/zinc/48/00/04/905480004.db2.gz ADMOZSSBHMQRJX-CRAIPNDOSA-N 1 0 393.478 3.971 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(I)cc1 ZINC001172294651 905482782 /nfs/dbraw/zinc/48/27/82/905482782.db2.gz JUEALNJLOLGWLR-ZDUSSCGKSA-N 1 0 376.241 3.884 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001172299102 905483782 /nfs/dbraw/zinc/48/37/82/905483782.db2.gz JEACHBHFWRDIOO-NAKSJZFLSA-N 1 0 387.483 3.931 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001172355241 905523827 /nfs/dbraw/zinc/52/38/27/905523827.db2.gz AKTDKYYGLHWHHE-CBPXPLCBSA-N 1 0 394.600 3.900 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001172355060 905523965 /nfs/dbraw/zinc/52/39/65/905523965.db2.gz MEKBVQBFYNVNOZ-TUNNFDKTSA-N 1 0 382.589 3.854 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000801580441 921154311 /nfs/dbraw/zinc/15/43/11/921154311.db2.gz JURVOICITMBWFE-HXUWFJFHSA-N 1 0 385.305 3.847 20 30 GHEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC001172491728 905595668 /nfs/dbraw/zinc/59/56/68/905595668.db2.gz OYONDTGTRICJBF-NEPJUHHUSA-N 1 0 395.381 3.811 20 30 GHEDRO CCCCCCCC[C@H](CC)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172505683 905601930 /nfs/dbraw/zinc/60/19/30/905601930.db2.gz RSUJZKVXCMNBSS-QFIPXVFZSA-N 1 0 389.632 3.975 20 30 GHEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001172506005 905602065 /nfs/dbraw/zinc/60/20/65/905602065.db2.gz ZAOYAHMRWYXZNX-ONTIZHBOSA-N 1 0 382.589 3.902 20 30 GHEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001172512076 905606200 /nfs/dbraw/zinc/60/62/00/905606200.db2.gz YLZMISHUSQJEOJ-JAXLGGSGSA-N 1 0 382.589 3.902 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172684429 905736717 /nfs/dbraw/zinc/73/67/17/905736717.db2.gz YLXJJGKNSKUVTM-NRFANRHFSA-N 1 0 389.499 3.593 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCC[C@H](C(=O)OC)CC1)CC2 ZINC001172782676 905823066 /nfs/dbraw/zinc/82/30/66/905823066.db2.gz PHFBMZHVFVQCAI-OALUTQOASA-N 1 0 392.540 3.609 20 30 GHEDRO CC(C)(C)OC(=O)CN1CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001172894842 905981765 /nfs/dbraw/zinc/98/17/65/905981765.db2.gz BAYNHGYWQFLQPA-UHFFFAOYSA-N 1 0 383.536 3.544 20 30 GHEDRO N#Cc1ccc(N2CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c(F)c1 ZINC001172918876 905989209 /nfs/dbraw/zinc/98/92/09/905989209.db2.gz CSWDVLMJDDIACJ-LJQANCHMSA-N 1 0 394.450 3.675 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2N2CCCC2)C[C@H]1C#N ZINC001172970931 906032814 /nfs/dbraw/zinc/03/28/14/906032814.db2.gz KJTTVNJCRDFNKJ-MOPGFXCFSA-N 1 0 384.524 3.668 20 30 GHEDRO COc1c(F)cccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977869 906043828 /nfs/dbraw/zinc/04/38/28/906043828.db2.gz GPXAUERMCXWHOK-ZNMIVQPWSA-N 1 0 377.460 3.777 20 30 GHEDRO Cc1ccc(C2(O)CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CC2)cc1 ZINC001172981224 906047873 /nfs/dbraw/zinc/04/78/73/906047873.db2.gz UOKNIFRGMRIISE-PMACEKPBSA-N 1 0 399.535 3.570 20 30 GHEDRO COc1cccc([C@H]2CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)c1 ZINC001172990911 906101711 /nfs/dbraw/zinc/10/17/11/906101711.db2.gz SHTDQDPAWPGQSR-FHWLQOOXSA-N 1 0 385.508 3.776 20 30 GHEDRO C[C@H]1CN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC[N@@H+]1C1CCCCC1 ZINC001172994355 906105165 /nfs/dbraw/zinc/10/51/65/906105165.db2.gz SSXSLPMSSILXHK-SXLOBPIMSA-N 1 0 390.572 3.617 20 30 GHEDRO C[C@H]1CC[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CN1C(=O)OC(C)(C)C ZINC001173051852 906124448 /nfs/dbraw/zinc/12/44/48/906124448.db2.gz AFTMGQXKOVQRPX-MAUKXSAKSA-N 1 0 382.508 3.975 20 30 GHEDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190626863 906184619 /nfs/dbraw/zinc/18/46/19/906184619.db2.gz YZBZWFWYLHRUBC-DNVCBOLYSA-N 1 0 399.441 3.920 20 30 GHEDRO CC(C)N(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccc(F)c1 ZINC000299136524 921218526 /nfs/dbraw/zinc/21/85/26/921218526.db2.gz POZUNQXZXCKVGG-SFHVURJKSA-N 1 0 392.434 3.561 20 30 GHEDRO C=CCOC1CCC([N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)CC1 ZINC001173320667 906368723 /nfs/dbraw/zinc/36/87/23/906368723.db2.gz CBJLQHGHBVXYSK-BFGFKNPTSA-N 1 0 392.565 3.714 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)CC1 ZINC001173321378 906369945 /nfs/dbraw/zinc/36/99/45/906369945.db2.gz KQQVGHUPXHUQFD-ZSTXGWIISA-N 1 0 393.568 3.567 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)CC1 ZINC001173320714 906369987 /nfs/dbraw/zinc/36/99/87/906369987.db2.gz RTHYOHWDFWVZGF-SNDHGLFQSA-N 1 0 382.548 3.765 20 30 GHEDRO C=CCOC1CCC([N@@H+](CCOC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173322920 906372263 /nfs/dbraw/zinc/37/22/63/906372263.db2.gz PUYWWYXFASRBLO-IOJLRTSASA-N 1 0 396.572 3.848 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001173325070 906373657 /nfs/dbraw/zinc/37/36/57/906373657.db2.gz XVQYILKYXRCOIX-JTPDYBDNSA-N 1 0 386.536 3.734 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[NH2+]C3CCC(CC#N)CC3)C2)CC1 ZINC001173329849 906374965 /nfs/dbraw/zinc/37/49/65/906374965.db2.gz KDJBBWLCAVUEIA-CTWPCTMYSA-N 1 0 391.556 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](N2CCC([NH2+]C3CCC(CC#N)CC3)CC2)C1 ZINC001173332181 906376187 /nfs/dbraw/zinc/37/61/87/906376187.db2.gz IYTXGBOREYQLOK-AFMYVXGZSA-N 1 0 390.572 3.522 20 30 GHEDRO COCCC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173338856 906381109 /nfs/dbraw/zinc/38/11/09/906381109.db2.gz ANJFTBRWZOGITD-ACBHZAAOSA-N 1 0 379.545 3.807 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3c(F)ccc(F)c3Cl)CC2)cc1 ZINC001173422466 906456450 /nfs/dbraw/zinc/45/64/50/906456450.db2.gz QKCCRSPHNLZLFD-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(n3c(C[NH3+])cc4cccc(F)c43)CC2)cc1 ZINC001173428267 906465028 /nfs/dbraw/zinc/46/50/28/906465028.db2.gz HIOXYDCTMWJOKP-UHFFFAOYSA-N 1 0 376.435 3.588 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](c3ncccc3Cl)C3CC3)CC2)cc1 ZINC001173429570 906466556 /nfs/dbraw/zinc/46/65/56/906466556.db2.gz RWPDGOJCJDUPST-FQEVSTJZSA-N 1 0 394.906 3.952 20 30 GHEDRO COc1ccccc1[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C1CC1 ZINC001173429648 906466709 /nfs/dbraw/zinc/46/67/09/906466709.db2.gz UJZKVWUFZPYAJR-QHCPKHFHSA-N 1 0 389.499 3.912 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC001173432749 906467968 /nfs/dbraw/zinc/46/79/68/906467968.db2.gz HUPPNQKDMOVQCB-HXUWFJFHSA-N 1 0 377.463 3.791 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC3(C[C@H]3C(=O)OCC)CC1)CC2 ZINC001173610135 906564456 /nfs/dbraw/zinc/56/44/56/906564456.db2.gz FGSXTOMZBFYNHD-OEGBSJBASA-N 1 0 388.552 3.532 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760235 906586161 /nfs/dbraw/zinc/58/61/61/906586161.db2.gz JSPLYZYZVGGHRJ-UHFFFAOYSA-N 1 0 391.519 3.791 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc(OC)c1O ZINC000179777528 906595580 /nfs/dbraw/zinc/59/55/80/906595580.db2.gz RCHWVVWNEUJNGP-GOSISDBHSA-N 1 0 378.476 3.552 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC001173723503 906673885 /nfs/dbraw/zinc/67/38/85/906673885.db2.gz WXFCUAGQBJLMIV-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO N#Cc1csc(C[NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)c1 ZINC001173777589 906703833 /nfs/dbraw/zinc/70/38/33/906703833.db2.gz KRURKROWCGBFQL-UHFFFAOYSA-N 1 0 377.872 3.807 20 30 GHEDRO C#CCN(C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1)C1CCCC1 ZINC000779400720 906739162 /nfs/dbraw/zinc/73/91/62/906739162.db2.gz PUUABQGKKVEJBE-VXKWHMMOSA-N 1 0 381.520 3.560 20 30 GHEDRO CN(C)C(=O)CC1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000180326732 906749307 /nfs/dbraw/zinc/74/93/07/906749307.db2.gz DGQQOLNKJHOSHB-UHFFFAOYSA-N 1 0 391.515 3.828 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(Br)o3)CC2)nc1 ZINC000191539730 907057554 /nfs/dbraw/zinc/05/75/54/907057554.db2.gz MVTBXYCNFGJMQJ-UHFFFAOYSA-N 1 0 376.254 3.789 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000181789249 907079572 /nfs/dbraw/zinc/07/95/72/907079572.db2.gz YXRHNAPVDNXOIM-UHFFFAOYSA-N 1 0 380.439 3.788 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000181838912 907089466 /nfs/dbraw/zinc/08/94/66/907089466.db2.gz CDGGHHHWJHWEHW-UHFFFAOYSA-N 1 0 394.466 3.830 20 30 GHEDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000299340978 921297419 /nfs/dbraw/zinc/29/74/19/921297419.db2.gz FFTQIGSUGQFNGI-KRWDZBQOSA-N 1 0 380.492 3.793 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001174771111 907194871 /nfs/dbraw/zinc/19/48/71/907194871.db2.gz MEPNOYOVFBAFQJ-GOSISDBHSA-N 1 0 390.405 3.986 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559556 907228343 /nfs/dbraw/zinc/22/83/43/907228343.db2.gz XFRIXFIKVTXHOE-HXOBKFHXSA-N 1 0 392.503 3.644 20 30 GHEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182916347 907289878 /nfs/dbraw/zinc/28/98/78/907289878.db2.gz LBWXCWAQGRMVAL-XLIONFOSSA-N 1 0 380.536 3.885 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000184354731 907568483 /nfs/dbraw/zinc/56/84/83/907568483.db2.gz HNAMIRNHINGOCW-MOPGFXCFSA-N 1 0 384.524 3.953 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001175690583 907696712 /nfs/dbraw/zinc/69/67/12/907696712.db2.gz ZUFFMDMLCRUHQM-MBSDFSHPSA-N 1 0 379.479 3.563 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001175810287 907767548 /nfs/dbraw/zinc/76/75/48/907767548.db2.gz UWKGIEXVLHITQL-UHFFFAOYSA-N 1 0 376.382 3.612 20 30 GHEDRO C#CC[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129657 907951451 /nfs/dbraw/zinc/95/14/51/907951451.db2.gz HPCFRAQCAFWBMD-UHFFFAOYSA-N 1 0 397.441 3.935 20 30 GHEDRO N#Cc1cccc(Br)c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176383534 908060948 /nfs/dbraw/zinc/06/09/48/908060948.db2.gz XJWITFFMTADSES-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cc(Br)cc(F)c2C#N)cn1 ZINC001176360539 908073226 /nfs/dbraw/zinc/07/32/26/908073226.db2.gz SMZADYGQZLWMBF-UHFFFAOYSA-N 1 0 393.260 3.929 20 30 GHEDRO C=CCn1cc(Nc2ccc(CN3CC[NH+](CC)CC3)c(C(F)(F)F)c2)cn1 ZINC001176550285 908172857 /nfs/dbraw/zinc/17/28/57/908172857.db2.gz JYMKSDPHTCQIPJ-UHFFFAOYSA-N 1 0 393.457 3.969 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)CC1 ZINC000779703052 908194108 /nfs/dbraw/zinc/19/41/08/908194108.db2.gz JPERAXHJVKPAGI-HXUWFJFHSA-N 1 0 392.503 3.526 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000188683766 908239802 /nfs/dbraw/zinc/23/98/02/908239802.db2.gz IMMQAWNGAXZJKI-UHFFFAOYSA-N 1 0 387.528 3.740 20 30 GHEDRO COc1ccccc1-c1nc(CO[NH+]=C(N)c2ccc(N(C)C)cc2)cs1 ZINC000193584135 908532640 /nfs/dbraw/zinc/53/26/40/908532640.db2.gz XVYJVMQYVBLJDD-UHFFFAOYSA-N 1 0 382.489 3.722 20 30 GHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634341873 908680754 /nfs/dbraw/zinc/68/07/54/908680754.db2.gz PFNNXUJRURWDOH-UHFFFAOYSA-N 1 0 399.514 3.637 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001177804141 908763166 /nfs/dbraw/zinc/76/31/66/908763166.db2.gz LTLNDNQYFHAYFZ-KRWDZBQOSA-N 1 0 380.916 3.991 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)Oc1ccccc1Br ZINC001177956838 908839176 /nfs/dbraw/zinc/83/91/76/908839176.db2.gz WXHVUJPOXDIRSG-AWEZNQCLSA-N 1 0 388.309 3.944 20 30 GHEDRO CC(C)(Cc1cccnc1)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001178067285 908874811 /nfs/dbraw/zinc/87/48/11/908874811.db2.gz ZSKSIHRNQKXZDD-HZCBDIJESA-N 1 0 390.531 3.821 20 30 GHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC001178209551 908942665 /nfs/dbraw/zinc/94/26/65/908942665.db2.gz WOOFWAKSPNHOEI-UONOGXRCSA-N 1 0 377.428 3.693 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccccc1OCC#N ZINC000195380335 909004013 /nfs/dbraw/zinc/00/40/13/909004013.db2.gz QCQPORQRBUAOLY-UHFFFAOYSA-N 1 0 381.501 3.699 20 30 GHEDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC001178469766 909068102 /nfs/dbraw/zinc/06/81/02/909068102.db2.gz VGXKCQKYPAECEA-NRFANRHFSA-N 1 0 394.494 3.829 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3c(Cl)cccc3Br)CC2)C1=O ZINC001276024677 921466067 /nfs/dbraw/zinc/46/60/67/921466067.db2.gz GTZSIHMGJLQYFL-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)C#Cc2ccc(F)cc2F)CC1 ZINC001178568516 909125213 /nfs/dbraw/zinc/12/52/13/909125213.db2.gz GNLQOZSNVLJGHJ-UHFFFAOYSA-N 1 0 386.417 3.578 20 30 GHEDRO O=C(C#Cc1ccc(F)cc1F)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001178569255 909126732 /nfs/dbraw/zinc/12/67/32/909126732.db2.gz UJBWQDSTWKIWLU-NHCUHLMSSA-N 1 0 394.465 3.687 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCCN(Cc2cscn2)CC1 ZINC000266424328 909147550 /nfs/dbraw/zinc/14/75/50/909147550.db2.gz SOROGUSFWKLGLY-UHFFFAOYSA-N 1 0 381.480 3.723 20 30 GHEDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000266511572 909202249 /nfs/dbraw/zinc/20/22/49/909202249.db2.gz XOJQWYJILOBQAK-IRXDYDNUSA-N 1 0 381.476 3.690 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000266737730 909281469 /nfs/dbraw/zinc/28/14/69/909281469.db2.gz MJKLYBJXVDEWMT-CWFSZBLJSA-N 1 0 387.549 3.766 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001179375993 909512783 /nfs/dbraw/zinc/51/27/83/909512783.db2.gz HWLJUYURFHEIFX-FNLKRUPLSA-N 1 0 384.520 3.966 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(CCC)cc1 ZINC000299614320 921512509 /nfs/dbraw/zinc/51/25/09/921512509.db2.gz YBTFGDACNUSLMS-UHFFFAOYSA-O 1 0 383.537 3.958 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cc(Br)ccc3Cl)CC2)C1=O ZINC001276030884 921533442 /nfs/dbraw/zinc/53/34/42/921533442.db2.gz BFCZUOZPDCPRBZ-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000795332234 909932190 /nfs/dbraw/zinc/93/21/90/909932190.db2.gz JUTXJIQRQBWLJQ-FPOVZHCZSA-N 1 0 389.499 3.555 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000245950599 910017489 /nfs/dbraw/zinc/01/74/89/910017489.db2.gz AYXNSJOEPQMDPN-FGZHOGPDSA-N 1 0 378.497 3.889 20 30 GHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000269737119 910345224 /nfs/dbraw/zinc/34/52/24/910345224.db2.gz YKPHQKKEFVRDFL-UHFFFAOYSA-N 1 0 390.409 3.642 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1cccc(OCC#N)c1 ZINC000270454279 910572560 /nfs/dbraw/zinc/57/25/60/910572560.db2.gz DBCGLQVUZGHCHB-UHFFFAOYSA-N 1 0 385.533 3.564 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)c(O)c1 ZINC000773906576 910597533 /nfs/dbraw/zinc/59/75/33/910597533.db2.gz QKCLGDDRYFAGPS-RWFYVVHNSA-N 1 0 393.487 3.923 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270687488 910660982 /nfs/dbraw/zinc/66/09/82/910660982.db2.gz VOZIUILUUOOAFM-FXAWDEMLSA-N 1 0 385.870 3.968 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)Nc2cc(C#N)ccn2)C1 ZINC001181344030 910705640 /nfs/dbraw/zinc/70/56/40/910705640.db2.gz UKMCHUZHSJPUGA-DLBZAZTESA-N 1 0 384.430 3.684 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000246920471 910761014 /nfs/dbraw/zinc/76/10/14/910761014.db2.gz FJAZJLVKEMWUGD-DLBZAZTESA-N 1 0 388.487 3.846 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182041170 911144543 /nfs/dbraw/zinc/14/45/43/911144543.db2.gz SEMKGPJXNJPNQR-UHFFFAOYSA-N 1 0 381.451 3.947 20 30 GHEDRO CC[NH+](CC)CCn1cc(Nc2cc(Br)cc(F)c2C#N)cn1 ZINC001203263764 911180084 /nfs/dbraw/zinc/18/00/84/911180084.db2.gz YGBAQVQNYHHCGG-UHFFFAOYSA-N 1 0 380.265 3.742 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(OCc2ccccc2F)CC1 ZINC000091864072 911307471 /nfs/dbraw/zinc/30/74/71/911307471.db2.gz INCDYVYWWWRDTH-KRWDZBQOSA-N 1 0 387.499 3.538 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC001182219112 911309472 /nfs/dbraw/zinc/30/94/72/911309472.db2.gz VGWZGBGRGWCTIE-JOCHJYFZSA-N 1 0 390.483 3.686 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000274420561 911331133 /nfs/dbraw/zinc/33/11/33/911331133.db2.gz LBNJEDYKFISYMN-MRXNPFEDSA-N 1 0 382.430 3.643 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000092092284 911395721 /nfs/dbraw/zinc/39/57/21/911395721.db2.gz VSEGSRCFXWBXKH-MJGOQNOKSA-N 1 0 378.438 3.803 20 30 GHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283244980 911429299 /nfs/dbraw/zinc/42/92/99/911429299.db2.gz KXDAWLCISMCKRS-UHFFFAOYSA-N 1 0 397.567 3.615 20 30 GHEDRO C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000284372390 911844133 /nfs/dbraw/zinc/84/41/33/911844133.db2.gz FBYQQNQYRNQLGI-SGTLLEGYSA-N 1 0 399.292 3.784 20 30 GHEDRO CCCC[NH+]=C(NCc1nncn1-c1ccccc1)NCc1ccc(C)cc1 ZINC000303867522 915225718 /nfs/dbraw/zinc/22/57/18/915225718.db2.gz AAFDTGWPWUHDJK-UHFFFAOYSA-N 1 0 376.508 3.611 20 30 GHEDRO [NH2+]=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)NC1CCCCC1 ZINC000303893135 915300352 /nfs/dbraw/zinc/30/03/52/915300352.db2.gz RRSQVLBUVLRAAH-AWEZNQCLSA-N 1 0 379.346 3.512 20 30 GHEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000303897347 915301854 /nfs/dbraw/zinc/30/18/54/915301854.db2.gz UYDAXIRJEFQXJJ-KRWDZBQOSA-N 1 0 389.540 3.583 20 30 GHEDRO [NH2+]=C(NCCc1cccs1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000303901131 915304583 /nfs/dbraw/zinc/30/45/83/915304583.db2.gz SMIYFZNGQOSICH-SFHVURJKSA-N 1 0 376.957 3.685 20 30 GHEDRO COc1ccccc1N1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000303975763 915343904 /nfs/dbraw/zinc/34/39/04/915343904.db2.gz JKUDVPXMSUECFH-KRWDZBQOSA-N 1 0 382.508 3.736 20 30 GHEDRO [NH2+]=C(NCCc1ccccc1)NCc1cc(Br)ccc1OC(F)F ZINC000303981696 915349258 /nfs/dbraw/zinc/34/92/58/915349258.db2.gz PHZZGGRUMLIBCI-UHFFFAOYSA-N 1 0 398.251 3.698 20 30 GHEDRO [NH2+]=C(NCc1cccc(OCc2ccccn2)c1)N[C@@H]1CCOc2ccccc21 ZINC000304471522 915516759 /nfs/dbraw/zinc/51/67/59/915516759.db2.gz DYHAPKDDGAVGKT-OAQYLSRUSA-N 1 0 388.471 3.589 20 30 GHEDRO Cc1csc(CCCCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000304508983 915526293 /nfs/dbraw/zinc/52/62/93/915526293.db2.gz SEERXWQOMRXBRU-UHFFFAOYSA-N 1 0 386.443 3.777 20 30 GHEDRO CCc1c(C(=O)C(C(=S)NC2CCC2)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O ZINC000292234691 915573946 /nfs/dbraw/zinc/57/39/46/915573946.db2.gz BKABJNRPYVBTKZ-UHFFFAOYSA-O 1 0 398.552 3.765 20 30 GHEDRO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)cc1 ZINC000304647834 915585042 /nfs/dbraw/zinc/58/50/42/915585042.db2.gz FQENVQRFTDLTKX-UHFFFAOYSA-N 1 0 378.520 3.974 20 30 GHEDRO CC[C@@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)Oc1ccccc1Cl ZINC000304671617 915590016 /nfs/dbraw/zinc/59/00/16/915590016.db2.gz CEZYVQWFXFLVGU-ZDUSSCGKSA-N 1 0 377.872 3.941 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cc(Cl)ccc2OC(F)F)cc1OC ZINC000304666812 915590192 /nfs/dbraw/zinc/59/01/92/915590192.db2.gz BHAZDFWWQJHONG-UHFFFAOYSA-N 1 0 385.798 3.885 20 30 GHEDRO [NH2+]=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)Nc1cccc2c1CCCC2 ZINC000304675073 915591852 /nfs/dbraw/zinc/59/18/52/915591852.db2.gz NBWSXANOTCBXOX-JOCHJYFZSA-N 1 0 396.510 3.505 20 30 GHEDRO [NH2+]=C(NCCc1csc(-c2ccccc2)n1)N[C@H]1CCOc2ccccc21 ZINC000304831084 915722642 /nfs/dbraw/zinc/72/26/42/915722642.db2.gz KMELYUOPSBCPBW-SFHVURJKSA-N 1 0 378.501 3.781 20 30 GHEDRO [NH2+]=C(NCCc1ccccc1OC(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000305040946 915875713 /nfs/dbraw/zinc/87/57/13/915875713.db2.gz VLWKONRKTYCZDA-UHFFFAOYSA-N 1 0 395.381 3.716 20 30 GHEDRO C[NH+]1CCC(c2ccc(C(=O)NCCCOc3ccccc3C#N)cc2)CC1 ZINC001188321024 915886818 /nfs/dbraw/zinc/88/68/18/915886818.db2.gz YHHLIHUAQXKRCN-UHFFFAOYSA-N 1 0 377.488 3.566 20 30 GHEDRO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N(C)Cc1ccccc1 ZINC000305209770 916009669 /nfs/dbraw/zinc/00/96/69/916009669.db2.gz GWCNLRSGQUJIJM-CQSZACIVSA-N 1 0 380.414 3.832 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000360438201 916125030 /nfs/dbraw/zinc/12/50/30/916125030.db2.gz WHFKSUARJDKIIO-UHFFFAOYSA-N 1 0 392.503 3.952 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(N2CCOC2=O)cc1 ZINC000305803562 916445126 /nfs/dbraw/zinc/44/51/26/916445126.db2.gz FMWAMFIHKPPVAQ-UHFFFAOYSA-N 1 0 394.519 3.987 20 30 GHEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000305813613 916452141 /nfs/dbraw/zinc/45/21/41/916452141.db2.gz KVKDBGFBSCZDDI-OAHLLOKOSA-N 1 0 375.492 3.927 20 30 GHEDRO N#CCCc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC001189221571 916475175 /nfs/dbraw/zinc/47/51/75/916475175.db2.gz WOJKKZKXMLKQBD-QFIPXVFZSA-N 1 0 397.544 3.648 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000775246361 916625415 /nfs/dbraw/zinc/62/54/15/916625415.db2.gz SQCIUWQWRVXJRB-UWJYYQICSA-N 1 0 382.460 3.505 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001189442567 916649475 /nfs/dbraw/zinc/64/94/75/916649475.db2.gz WRPZXCZQXYUOOQ-UHFFFAOYSA-N 1 0 394.319 3.834 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC001190347869 917275999 /nfs/dbraw/zinc/27/59/99/917275999.db2.gz GBEDCYPPHVLZMR-INIZCTEOSA-N 1 0 381.476 3.773 20 30 GHEDRO C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@@H](O)c1ccccc1Br ZINC000295445440 917315536 /nfs/dbraw/zinc/31/55/36/917315536.db2.gz WXJSFXVNOFEKMS-GOSISDBHSA-N 1 0 375.266 3.517 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1ccccc1 ZINC000775400004 917442908 /nfs/dbraw/zinc/44/29/08/917442908.db2.gz LGCBQDFMFCNEIQ-KXBFYZLASA-N 1 0 385.305 3.981 20 30 GHEDRO C#CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000775405427 917499492 /nfs/dbraw/zinc/49/94/92/917499492.db2.gz WIVMPULYYGIEBV-SFHVURJKSA-N 1 0 392.318 3.577 20 30 GHEDRO C=CCC1(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001190783995 917563777 /nfs/dbraw/zinc/56/37/77/917563777.db2.gz PDSXUBCPCNVUCH-QXAKKESOSA-N 1 0 394.606 3.719 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796468266 917588874 /nfs/dbraw/zinc/58/88/74/917588874.db2.gz RQWBOJKMFBIVGV-HXUWFJFHSA-N 1 0 393.487 3.575 20 30 GHEDRO CCCCCCCNC(=O)NC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001191118539 917766583 /nfs/dbraw/zinc/76/65/83/917766583.db2.gz KWHHBGPMTACHIZ-UHFFFAOYSA-N 1 0 375.557 3.972 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1)cc2=O ZINC001191444282 918006687 /nfs/dbraw/zinc/00/66/87/918006687.db2.gz KOHHQGOTULBINN-UHFFFAOYSA-N 1 0 383.402 3.530 20 30 GHEDRO CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC000796548737 918173782 /nfs/dbraw/zinc/17/37/82/918173782.db2.gz YLTCFAXUKXCFSO-HXUWFJFHSA-N 1 0 391.556 3.810 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC001191927435 918302795 /nfs/dbraw/zinc/30/27/95/918302795.db2.gz CZPVIILKVNCCDU-UHFFFAOYSA-N 1 0 387.405 3.712 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c(F)c1 ZINC001191936187 918307130 /nfs/dbraw/zinc/30/71/30/918307130.db2.gz NWUVQSOMDOPVSA-UHFFFAOYSA-N 1 0 383.442 3.521 20 30 GHEDRO N#Cc1ccc(C(=O)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1 ZINC001192110264 918415351 /nfs/dbraw/zinc/41/53/51/918415351.db2.gz DNLZOCMSOHFRHA-UHFFFAOYSA-N 1 0 391.437 3.947 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000363616966 918536307 /nfs/dbraw/zinc/53/63/07/918536307.db2.gz ZTEAUWVFUKTQCR-UHFFFAOYSA-N 1 0 397.519 3.711 20 30 GHEDRO C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1sc(NC(C)(C)C)nc1Cl ZINC001275868178 918966694 /nfs/dbraw/zinc/96/66/94/918966694.db2.gz OZYKJCGNTIMXGE-IBGZPJMESA-N 1 0 394.972 3.597 20 30 GHEDRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000115599252 919459365 /nfs/dbraw/zinc/45/93/65/919459365.db2.gz HCEBIISTGWXIHU-QGZVFWFLSA-N 1 0 375.394 3.671 20 30 GHEDRO COC(=O)C1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000116876544 919522779 /nfs/dbraw/zinc/52/27/79/919522779.db2.gz CGBZJIVRGKLXHL-UHFFFAOYSA-N 1 0 394.471 3.531 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000900223346 920029414 /nfs/dbraw/zinc/02/94/14/920029414.db2.gz JFAWHWRCVCRELT-QGZVFWFLSA-N 1 0 397.494 3.692 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCCN2Cc1c(F)cccc1Br ZINC001275946734 920039654 /nfs/dbraw/zinc/03/96/54/920039654.db2.gz WKJXQUPMZZYTDS-GOSISDBHSA-N 1 0 381.289 3.731 20 30 GHEDRO N#CCc1ccc(OCc2ccccc2NC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000900290455 920130903 /nfs/dbraw/zinc/13/09/03/920130903.db2.gz MAYDSZHTJFNVCK-QHCPKHFHSA-N 1 0 375.472 3.756 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(F)c3)CC2)C1=O ZINC001275992220 920989823 /nfs/dbraw/zinc/98/98/23/920989823.db2.gz UWWORHVVDPTBGN-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000801426700 921021939 /nfs/dbraw/zinc/02/19/39/921021939.db2.gz JNLWRSHXSSLYFY-INIZCTEOSA-N 1 0 379.460 3.584 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367042392 921889220 /nfs/dbraw/zinc/88/92/20/921889220.db2.gz GUDCVPAWRAWGHX-RNUBBMKBSA-N 1 0 391.556 3.711 20 30 GHEDRO C#CCN(Cn1nc(-c2ccccc2F)n(C2CC2)c1=S)C1CC[NH+](C)CC1 ZINC000902535730 922261832 /nfs/dbraw/zinc/26/18/32/922261832.db2.gz CBEWVSSXEPWMBQ-UHFFFAOYSA-N 1 0 399.539 3.542 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903266411 922893268 /nfs/dbraw/zinc/89/32/68/922893268.db2.gz YGHNHAGQYNUHRP-QYZOEREBSA-N 1 0 393.572 3.837 20 30 GHEDRO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000368953636 923003972 /nfs/dbraw/zinc/00/39/72/923003972.db2.gz KGHMSQGIICETMW-SJLPKXTDSA-N 1 0 394.523 3.643 20 30 GHEDRO CN(c1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1)S(C)(=O)=O ZINC000903424307 923015411 /nfs/dbraw/zinc/01/54/11/923015411.db2.gz QSCNGGQKODXVSB-NRFANRHFSA-N 1 0 383.517 3.511 20 30 GHEDRO C=CCSc1ccccc1NC(=O)COC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803856154 923319999 /nfs/dbraw/zinc/31/99/99/923319999.db2.gz OZSKBJSDHDSMTR-INIZCTEOSA-N 1 0 376.522 3.711 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1)C(C)C ZINC000678670119 924880115 /nfs/dbraw/zinc/88/01/15/924880115.db2.gz VHMRFLSDYIWZHK-PCCBWWKXSA-N 1 0 377.573 3.533 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000409788572 925014192 /nfs/dbraw/zinc/01/41/92/925014192.db2.gz FBLOGZJQJLFKOF-UMSONDCASA-N 1 0 391.515 3.969 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000409910774 925127772 /nfs/dbraw/zinc/12/77/72/925127772.db2.gz NEAALRSQKPJATP-UHFFFAOYSA-N 1 0 393.535 3.718 20 30 GHEDRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410326825 925537241 /nfs/dbraw/zinc/53/72/41/925537241.db2.gz GLVBMIWHPBMRJS-UHFFFAOYSA-N 1 0 397.422 3.748 20 30 GHEDRO CC[N@H+](CCCON1C(=O)c2ccccc2C1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000827484414 925636123 /nfs/dbraw/zinc/63/61/23/925636123.db2.gz WWFOZGNHCBOJKG-MRXNPFEDSA-N 1 0 377.444 3.559 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4ccc(Br)cc34)C2)C1=O ZINC001276104594 925702428 /nfs/dbraw/zinc/70/24/28/925702428.db2.gz MOWUQDRXWLZUOU-LJQANCHMSA-N 1 0 388.309 3.541 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)CC1 ZINC000372863195 925748852 /nfs/dbraw/zinc/74/88/52/925748852.db2.gz MMHOMYVLLWNWDG-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)C1CCOCC1 ZINC000827564540 925822348 /nfs/dbraw/zinc/82/23/48/925822348.db2.gz CUGVBBZCMLAVMP-OAHLLOKOSA-N 1 0 376.216 3.986 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000827725106 925938695 /nfs/dbraw/zinc/93/86/95/925938695.db2.gz GNQMAAFYJVZVCA-UHFFFAOYSA-N 1 0 391.515 3.862 20 30 GHEDRO C#CC[N@H+](CC1CCC(=O)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000827812800 926042619 /nfs/dbraw/zinc/04/26/19/926042619.db2.gz AUDNBKMDSOVSPA-GOSISDBHSA-N 1 0 376.294 3.967 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411169165 926162669 /nfs/dbraw/zinc/16/26/69/926162669.db2.gz RSZYJUUEZHFQRL-MRXNPFEDSA-N 1 0 381.476 3.815 20 30 GHEDRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)s1 ZINC000827943298 926370568 /nfs/dbraw/zinc/37/05/68/926370568.db2.gz VJZXSKNQIRFYGM-HOCLYGCPSA-N 1 0 385.489 3.600 20 30 GHEDRO CSc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000411446382 926395785 /nfs/dbraw/zinc/39/57/85/926395785.db2.gz VJQRDTJABFMAPB-FQEVSTJZSA-N 1 0 380.513 3.809 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000725851950 926468700 /nfs/dbraw/zinc/46/87/00/926468700.db2.gz PITYIVYQFGOTNX-SFHVURJKSA-N 1 0 379.504 3.968 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccco1 ZINC000411511806 926470236 /nfs/dbraw/zinc/47/02/36/926470236.db2.gz KADKNGCMJVXHSN-BBRMVZONSA-N 1 0 387.505 3.643 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000411697039 926645112 /nfs/dbraw/zinc/64/51/12/926645112.db2.gz VDXOERLUHWITPQ-NRFANRHFSA-N 1 0 383.879 3.532 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000411762628 926739772 /nfs/dbraw/zinc/73/97/72/926739772.db2.gz XKOQXAJAZBTKDZ-BLVKFPJESA-N 1 0 389.908 3.894 20 30 GHEDRO CO[C@](C)([C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000411959145 926943674 /nfs/dbraw/zinc/94/36/74/926943674.db2.gz YAOOXRBIJPAOJL-RNODOKPDSA-N 1 0 375.538 3.620 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000411962165 926948423 /nfs/dbraw/zinc/94/84/23/926948423.db2.gz AZESYQDDSNBYDH-AOMKIAJQSA-N 1 0 386.540 3.823 20 30 GHEDRO CCOC(=O)CCC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000749550402 927185058 /nfs/dbraw/zinc/18/50/58/927185058.db2.gz IYYYEIJZEATQEP-LJQANCHMSA-N 1 0 399.535 3.686 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN(Cc3ncc(Br)s3)CC2)C1=O ZINC001276204942 927357062 /nfs/dbraw/zinc/35/70/62/927357062.db2.gz QDJUOYJOHZELCG-QGZVFWFLSA-N 1 0 398.370 3.686 20 30 GHEDRO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]N[C@H]1CCOC(C)(C)C1 ZINC000780252140 927370528 /nfs/dbraw/zinc/37/05/28/927370528.db2.gz WNYXEIFAHDZFRY-SFHVURJKSA-N 1 0 381.524 3.662 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000374989055 927781636 /nfs/dbraw/zinc/78/16/36/927781636.db2.gz PIPFFQJNOILJEF-PGRDOPGGSA-N 1 0 397.906 3.954 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3C(F)(F)F)CC2)nc1 ZINC000375051866 927851431 /nfs/dbraw/zinc/85/14/31/927851431.db2.gz XMKZKOFXNBZVGD-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000750831583 927879923 /nfs/dbraw/zinc/87/99/23/927879923.db2.gz CBXCSXNINCAHAD-UXHICEINSA-N 1 0 397.544 3.604 20 30 GHEDRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000752084391 928601798 /nfs/dbraw/zinc/60/17/98/928601798.db2.gz VBPRYVKTRAQALO-LSDHHAIUSA-N 1 0 393.915 3.977 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000752301119 928739910 /nfs/dbraw/zinc/73/99/10/928739910.db2.gz SVJMTDQQJFLVET-HUUCEWRRSA-N 1 0 387.484 3.511 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000752673062 928969841 /nfs/dbraw/zinc/96/98/41/928969841.db2.gz ZGJXBKRBFZYOFK-UHFFFAOYSA-N 1 0 383.536 3.541 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1CNc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000544668441 929409084 /nfs/dbraw/zinc/40/90/84/929409084.db2.gz RSJNTPIGOVLYSJ-UHFFFAOYSA-N 1 0 386.484 3.529 20 30 GHEDRO C#CC[C@@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)c1ccccc1 ZINC000757761242 929792138 /nfs/dbraw/zinc/79/21/38/929792138.db2.gz KIWNAQUNVVMVEJ-HSZRJFAPSA-N 1 0 377.532 3.957 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000757864249 929830910 /nfs/dbraw/zinc/83/09/10/929830910.db2.gz GLJGUBPYCYVHDT-OAQYLSRUSA-N 1 0 389.540 3.747 20 30 GHEDRO N#Cc1csc(C(=O)OC[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000757891443 929841652 /nfs/dbraw/zinc/84/16/52/929841652.db2.gz OZRRVABDNNFKSH-CYBMUJFWSA-N 1 0 376.428 3.967 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(C)(C)C[NH+](C)C ZINC000469505334 929950475 /nfs/dbraw/zinc/95/04/75/929950475.db2.gz RMVWMACZULMMLU-LBPRGKRZSA-N 1 0 386.418 3.597 20 30 GHEDRO C=CCSc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000469856558 930209884 /nfs/dbraw/zinc/20/98/84/930209884.db2.gz OKUVCSVKURZTAO-FQEVSTJZSA-N 1 0 396.556 3.986 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)[C@@H]1OC ZINC000759605896 930423131 /nfs/dbraw/zinc/42/31/31/930423131.db2.gz SPZBXWFVQOJXSW-XQJRBRMLSA-N 1 0 392.503 3.653 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)c2)cc1 ZINC000470183414 930437680 /nfs/dbraw/zinc/43/76/80/930437680.db2.gz RARZYECPVVONDB-QFIPXVFZSA-N 1 0 389.499 3.884 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000470217097 930460143 /nfs/dbraw/zinc/46/01/43/930460143.db2.gz DKVRROLERFFFKF-IBGZPJMESA-N 1 0 390.487 3.549 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)NCC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000470340407 930543106 /nfs/dbraw/zinc/54/31/06/930543106.db2.gz MIRFSGWLOLEYTJ-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO COc1cc(-c2noc(/C=C\c3cccc(C#N)c3)n2)ccc1OCC[NH+](C)C ZINC000546989598 930591456 /nfs/dbraw/zinc/59/14/56/930591456.db2.gz FUBLASHDBQZUJZ-YFHOEESVSA-N 1 0 390.443 3.728 20 30 GHEDRO COC(=O)c1ccc(N=NC2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000781128898 930709204 /nfs/dbraw/zinc/70/92/04/930709204.db2.gz XBFWHJLRLLLTEZ-RBUKOAKNSA-N 1 0 378.476 3.568 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@@H+]2C)cc1 ZINC000781479614 930863579 /nfs/dbraw/zinc/86/35/79/930863579.db2.gz ZWYICWHFYCOETN-SIKLNZKXSA-N 1 0 390.483 3.835 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(CCC(=O)N(CC)CC)CC2)c(O)c(OC)c1 ZINC000782282896 931155766 /nfs/dbraw/zinc/15/57/66/931155766.db2.gz VQWOEZNYHFYYMF-UHFFFAOYSA-N 1 0 388.552 3.990 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000783531889 931573954 /nfs/dbraw/zinc/57/39/54/931573954.db2.gz NDLFZSIFTDPTHT-IAGOWNOFSA-N 1 0 375.456 3.922 20 30 GHEDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924947701 931592887 /nfs/dbraw/zinc/59/28/87/931592887.db2.gz FGTSJMZCVVRVSX-HZPDHXFCSA-N 1 0 389.544 3.699 20 30 GHEDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000557655176 931595145 /nfs/dbraw/zinc/59/51/45/931595145.db2.gz ZMNQPNBBXFWWQU-MLGOLLRUSA-N 1 0 378.307 3.714 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000925129087 931667791 /nfs/dbraw/zinc/66/77/91/931667791.db2.gz MVSVBHGUAFKTAN-BRSBDYLESA-N 1 0 391.556 3.709 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(C)CCOCC1 ZINC000925516991 931809149 /nfs/dbraw/zinc/80/91/49/931809149.db2.gz VYFCLLLMBDJUFC-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1C#N ZINC000784512642 931920297 /nfs/dbraw/zinc/92/02/97/931920297.db2.gz FTSQVFZKCOEMCW-QXAKKESOSA-N 1 0 385.508 3.692 20 30 GHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000784549551 931932144 /nfs/dbraw/zinc/93/21/44/931932144.db2.gz BNXGWISXVXUPPC-GFCCVEGCSA-N 1 0 392.384 3.640 20 30 GHEDRO CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(C#N)c1O ZINC000925905993 931951247 /nfs/dbraw/zinc/95/12/47/931951247.db2.gz MZBDSTJSWKVSNG-FQEVSTJZSA-N 1 0 379.508 3.752 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000796647018 932018310 /nfs/dbraw/zinc/01/83/10/932018310.db2.gz AGQAIEDAZWGKJM-KZNAEPCWSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000558515205 932048229 /nfs/dbraw/zinc/04/82/29/932048229.db2.gz TYRUXIAFKSJEGK-AFVILVPDSA-N 1 0 396.535 3.516 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000926185699 932076534 /nfs/dbraw/zinc/07/65/34/932076534.db2.gz ZYVTUYNPRMKPDR-NEWSRXKRSA-N 1 0 391.556 3.853 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](CCO)c1ccco1 ZINC000926195789 932078823 /nfs/dbraw/zinc/07/88/23/932078823.db2.gz FXDJYRVFCLCFTO-IAGOWNOFSA-N 1 0 391.512 3.612 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)ccc1OC ZINC000796824530 932080492 /nfs/dbraw/zinc/08/04/92/932080492.db2.gz HZUQLLOMOZLZJD-AEFFLSMTSA-N 1 0 391.475 3.808 20 30 GHEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796948679 932118771 /nfs/dbraw/zinc/11/87/71/932118771.db2.gz NDVDWFUJLKNROQ-UWJYYQICSA-N 1 0 398.551 3.762 20 30 GHEDRO N#Cc1ccc(F)c(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000797098367 932182257 /nfs/dbraw/zinc/18/22/57/932182257.db2.gz DXMWVGPYEQPUKL-SFHVURJKSA-N 1 0 388.389 3.898 20 30 GHEDRO COC[C@]1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC000797114148 932188447 /nfs/dbraw/zinc/18/84/47/932188447.db2.gz OXRRXBZSGYFZNE-QVKFZJNVSA-N 1 0 391.487 3.764 20 30 GHEDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926533758 932220091 /nfs/dbraw/zinc/22/00/91/932220091.db2.gz UKASQZDOSOFXBC-IAGOWNOFSA-N 1 0 389.544 3.873 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCC[C@H]1CCOC1 ZINC000926543989 932222965 /nfs/dbraw/zinc/22/29/65/932222965.db2.gz NUWPCICLWOJREX-MSOLQXFVSA-N 1 0 379.545 3.712 20 30 GHEDRO C=C1CCC(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](CC)[C@@H]2c2cnn(C)c2)CC1 ZINC000926547551 932224535 /nfs/dbraw/zinc/22/45/35/932224535.db2.gz IYBYURFSNKTJJO-FPOVZHCZSA-N 1 0 387.572 3.581 20 30 GHEDRO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926838563 932323158 /nfs/dbraw/zinc/32/31/58/932323158.db2.gz STPSJBZEAPKSJE-NVXWUHKLSA-N 1 0 387.528 3.755 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)N[C@H](c1ncccn1)C1CC1 ZINC000926894747 932339768 /nfs/dbraw/zinc/33/97/68/932339768.db2.gz PQVDOJQIXZAQRP-WMZOPIPTSA-N 1 0 399.539 3.837 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000797605553 932342249 /nfs/dbraw/zinc/34/22/49/932342249.db2.gz QNMYHYSHSCBYNV-HXUWFJFHSA-N 1 0 376.504 3.521 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000559003584 932367349 /nfs/dbraw/zinc/36/73/49/932367349.db2.gz KMNAGRWCXYVZEM-UYAOXDASSA-N 1 0 397.592 3.960 20 30 GHEDRO Cn1c(=O)c2ccccc2nc1N=NC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000797787146 932407819 /nfs/dbraw/zinc/40/78/19/932407819.db2.gz DAQITYWCKRJPDQ-UHFFFAOYSA-N 1 0 389.503 3.776 20 30 GHEDRO C[C@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000798366382 932616221 /nfs/dbraw/zinc/61/62/21/932616221.db2.gz ASXXWTNZOHIHHF-MBSDFSHPSA-N 1 0 376.504 3.831 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000559439242 932676816 /nfs/dbraw/zinc/67/68/16/932676816.db2.gz SVEKMHBNUYLHQM-HNNXBMFYSA-N 1 0 397.441 3.773 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000559467093 932691585 /nfs/dbraw/zinc/69/15/85/932691585.db2.gz WYTIXDPWFOWMID-QFIPXVFZSA-N 1 0 399.579 3.780 20 30 GHEDRO Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1C#N ZINC000799326690 932951333 /nfs/dbraw/zinc/95/13/33/932951333.db2.gz BMWBRFGPGIGUFX-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3ccc(OC(F)(F)F)c(C#N)c3)cc2)CC1 ZINC000799348594 932961144 /nfs/dbraw/zinc/96/11/44/932961144.db2.gz XLPHKDQKGHKLOM-UHFFFAOYSA-N 1 0 390.409 3.821 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000928700337 933074298 /nfs/dbraw/zinc/07/42/98/933074298.db2.gz ZCQHSNPWMZPHCM-UHFFFAOYSA-N 1 0 376.504 3.616 20 30 GHEDRO C[C@](C#N)(NC(=O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000560184864 933117885 /nfs/dbraw/zinc/11/78/85/933117885.db2.gz KWEYJLCZNBFUIH-JOCHJYFZSA-N 1 0 379.529 3.526 20 30 GHEDRO N#CCOc1ccc(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC001116063488 933313520 /nfs/dbraw/zinc/31/35/20/933313520.db2.gz JBTUMFNXTMGERN-UHFFFAOYSA-N 1 0 396.516 3.824 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)CC1 ZINC001116318163 933477018 /nfs/dbraw/zinc/47/70/18/933477018.db2.gz WDABLYUVBSGKCC-UHFFFAOYSA-N 1 0 393.356 3.992 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNc2nccc(C#N)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561258864 933996664 /nfs/dbraw/zinc/99/66/64/933996664.db2.gz ZQGFFCSINLEYQF-GUYCJALGSA-N 1 0 379.266 3.926 20 30 GHEDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc(OCC#N)c2)c1O ZINC001118325060 934138286 /nfs/dbraw/zinc/13/82/86/934138286.db2.gz CQZLXPOGAYTEJJ-GFCCVEGCSA-N 1 0 391.265 3.916 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1C#N ZINC000777939020 934251741 /nfs/dbraw/zinc/25/17/41/934251741.db2.gz CRKAOEIJQFJCNV-KRWDZBQOSA-N 1 0 390.270 3.769 20 30 GHEDRO C[C@@]1(Cc2cccc(Br)c2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001119382760 934339764 /nfs/dbraw/zinc/33/97/64/934339764.db2.gz CDAPPTFVHJJWGR-HKUYNNGSSA-N 1 0 392.341 3.784 20 30 GHEDRO C=C(C)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC001120920596 934536212 /nfs/dbraw/zinc/53/62/12/934536212.db2.gz HSZYFQIUMNIZFZ-FXAWDEMLSA-N 1 0 397.544 3.919 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC001121418170 934651587 /nfs/dbraw/zinc/65/15/87/934651587.db2.gz MPFAMLRANJUSLR-HBFSDRIKSA-N 1 0 380.540 3.712 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC2(CCCC2)C1 ZINC001121629394 934719576 /nfs/dbraw/zinc/71/95/76/934719576.db2.gz SQMLFKWKPOKESU-LJQANCHMSA-N 1 0 385.556 3.551 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)C2)c(F)c1 ZINC000562244238 934782746 /nfs/dbraw/zinc/78/27/46/934782746.db2.gz LHEPVCMNBKJIEO-LJQANCHMSA-N 1 0 392.478 3.758 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]cc2C(F)(F)F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122529763 934891030 /nfs/dbraw/zinc/89/10/30/934891030.db2.gz MYMGDZUELSJPQQ-UHFFFAOYSA-N 1 0 396.461 3.835 20 30 GHEDRO C=C(C)Cn1c(CCCCC#N)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122542665 934894780 /nfs/dbraw/zinc/89/47/80/934894780.db2.gz SCKUMZRMYFRMAE-UHFFFAOYSA-N 1 0 384.572 3.935 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)C2CC2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001122557366 934899646 /nfs/dbraw/zinc/89/96/46/934899646.db2.gz LYXFHMYFRRMPFA-IBGZPJMESA-N 1 0 387.572 3.533 20 30 GHEDRO C=CCN(c1nnc([C@H](C)N(C)Cc2ccccc2)n1C[C@H]1CCOC1)C1CC1 ZINC001123227240 935123325 /nfs/dbraw/zinc/12/33/25/935123325.db2.gz QJDONSXCHFFUFU-AZUAARDMSA-N 1 0 395.551 3.662 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(CC(C)(C)C#N)n3CC3CC3)C2)CC1 ZINC001123500167 935211447 /nfs/dbraw/zinc/21/14/47/935211447.db2.gz AYDPNXHAPAXPKG-HXUWFJFHSA-N 1 0 398.599 3.729 20 30 GHEDRO C=CCOCc1nnc(N2CCC[C@H](c3cncn3C(C)(C)C)C2)n1CC1CC1 ZINC001123581811 935229368 /nfs/dbraw/zinc/22/93/68/935229368.db2.gz LEKYKTSSOPVTNL-SFHVURJKSA-N 1 0 398.555 3.726 20 30 GHEDRO C[NH+]1CCC(c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2CC2CC2)CC1 ZINC001123690746 935253898 /nfs/dbraw/zinc/25/38/98/935253898.db2.gz JWFVJZIFVUAALT-UHFFFAOYSA-N 1 0 390.535 3.538 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2OC)CC1 ZINC001124389050 935382342 /nfs/dbraw/zinc/38/23/42/935382342.db2.gz UZGHRWWYZFSAOK-UHFFFAOYSA-N 1 0 398.894 3.614 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3Br)C2)C1=O ZINC001137547402 935576835 /nfs/dbraw/zinc/57/68/35/935576835.db2.gz ZGLGILYBJSBLLX-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO Cc1ccc(S(=O)(=O)n2cc(CN3CC(CC#N)C3)c3ccccc32)cc1 ZINC001137587064 935604286 /nfs/dbraw/zinc/60/42/86/935604286.db2.gz OMPQWJMSPQVZCM-UHFFFAOYSA-N 1 0 379.485 3.532 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(Br)c(C)c1)CC2 ZINC001137613304 935628021 /nfs/dbraw/zinc/62/80/21/935628021.db2.gz SZTXEJKSYSQIDB-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c1 ZINC001137699385 935731240 /nfs/dbraw/zinc/73/12/40/935731240.db2.gz GRVYZPWBKUFTFY-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c(C#N)c1 ZINC001137700929 935732146 /nfs/dbraw/zinc/73/21/46/935732146.db2.gz FJUGNJXDTUONFV-OAQYLSRUSA-N 1 0 384.520 3.612 20 30 GHEDRO C[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137854713 935827209 /nfs/dbraw/zinc/82/72/09/935827209.db2.gz DZDAUIOZUHANJG-APWZRJJASA-N 1 0 383.442 3.677 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC001137902665 935856691 /nfs/dbraw/zinc/85/66/91/935856691.db2.gz NKNLMYYQPICZQN-UHFFFAOYSA-N 1 0 388.515 3.913 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)cc1 ZINC001137904210 935857966 /nfs/dbraw/zinc/85/79/66/935857966.db2.gz RQAYCNQHDIQMOE-HSZRJFAPSA-N 1 0 375.472 3.998 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)C1 ZINC001220725368 1032085693 /nfs/dbraw/zinc/08/56/93/1032085693.db2.gz QVAWQPIFTBZEAC-WRPAGBMMSA-N 1 0 399.538 3.777 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C#N ZINC001545668167 1014704902 /nfs/dbraw/zinc/70/49/02/1014704902.db2.gz NIKOBKMXZFIEAM-DLBZAZTESA-N 1 0 393.539 3.753 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000468148173 1015334125 /nfs/dbraw/zinc/33/41/25/1015334125.db2.gz UJRMHKBNGKLTQE-JOCHJYFZSA-N 1 0 393.556 3.962 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468229941 1015456901 /nfs/dbraw/zinc/45/69/01/1015456901.db2.gz IVKJCTVNOPNVOV-UHFFFAOYSA-N 1 0 388.471 3.983 20 30 GHEDRO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)cc(C)c1OCC(F)(F)F ZINC000468945067 1016255071 /nfs/dbraw/zinc/25/50/71/1016255071.db2.gz MMUFZGMHFYYXBP-HNNXBMFYSA-N 1 0 397.441 3.627 20 30 GHEDRO C[C@H](CC#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468977585 1016300085 /nfs/dbraw/zinc/30/00/85/1016300085.db2.gz LFMHUBQQICNSFV-TYCQWZJGSA-N 1 0 381.907 3.974 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@H](C[NH3+])C2)cc1OCC ZINC000470014387 1016700159 /nfs/dbraw/zinc/70/01/59/1016700159.db2.gz YVMPISOZZZDIJB-CQSZACIVSA-N 1 0 383.330 3.583 20 30 GHEDRO CCCc1c(NC(=O)N(CCC)CCC[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000470500052 1016800516 /nfs/dbraw/zinc/80/05/16/1016800516.db2.gz YUHGZLUOTJJGJV-UHFFFAOYSA-N 1 0 396.539 3.892 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1cscn1 ZINC000925284778 1017063165 /nfs/dbraw/zinc/06/31/65/1017063165.db2.gz CCAYUWDKKBWWPE-HNNXBMFYSA-N 1 0 378.542 3.595 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccc(F)cn1 ZINC000925284500 1017063656 /nfs/dbraw/zinc/06/36/56/1017063656.db2.gz HQTOEADOFKSQHR-OAHLLOKOSA-N 1 0 376.476 3.630 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NCC3(CC4CCC4)CC[NH2+]CC3)no2)c1 ZINC001221131921 1032300316 /nfs/dbraw/zinc/30/03/16/1032300316.db2.gz KOWVXRAFAZTHRL-UHFFFAOYSA-N 1 0 378.476 3.503 20 30 GHEDRO N#Cc1ccc(CN(C(=O)[C@H]2CCNc3ccccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221186451 1032321681 /nfs/dbraw/zinc/32/16/81/1032321681.db2.gz ZSMVZBBPRJKDAC-ONTIZHBOSA-N 1 0 388.515 3.756 20 30 GHEDRO CN1[C@@H]2C[C@@H](Oc3ccc4ccccc4c3C[NH+]3CCCCC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227276857 1032351279 /nfs/dbraw/zinc/35/12/79/1032351279.db2.gz MEWDAOAWTDLSNB-JNRIQJADSA-N 1 0 378.516 3.817 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN2Cc2cc(Br)cc(C)c2OC)C1=O ZINC001277206809 1032411382 /nfs/dbraw/zinc/41/13/82/1032411382.db2.gz YGYPSQLYZUGKEW-IBGZPJMESA-N 1 0 393.325 3.519 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC3(CC1)OCc1cc(Cl)ccc13)C[NH2+]CCC2 ZINC001155128763 1032424828 /nfs/dbraw/zinc/42/48/28/1032424828.db2.gz ZDAUEHLONVDVHP-UHFFFAOYSA-N 1 0 394.906 3.668 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001227478933 1032435910 /nfs/dbraw/zinc/43/59/10/1032435910.db2.gz FFFPBBSIGUMCFK-FSSWDIPSSA-N 1 0 385.552 3.664 20 30 GHEDRO Cc1nc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C#N)c(C)c1Cl ZINC001227826951 1032635997 /nfs/dbraw/zinc/63/59/97/1032635997.db2.gz UTTOVLFHFJKBHY-SFHVURJKSA-N 1 0 385.895 3.893 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccc(F)c4F)C3)C2)c1 ZINC001204198725 1032650697 /nfs/dbraw/zinc/65/06/97/1032650697.db2.gz ILNXAAUOVYKRRF-HSZRJFAPSA-N 1 0 397.469 3.955 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000925549691 1017100246 /nfs/dbraw/zinc/10/02/46/1017100246.db2.gz ITGNFWNARIJXGC-RDJZCZTQSA-N 1 0 387.528 3.696 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926025258 1017203194 /nfs/dbraw/zinc/20/31/94/1017203194.db2.gz OOVFPSOXCILMIX-JHJVBQTASA-N 1 0 386.443 3.824 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c(C#N)c1C ZINC000559333858 1017428668 /nfs/dbraw/zinc/42/86/68/1017428668.db2.gz FGOLXMHFMZYTCI-HNNXBMFYSA-N 1 0 399.466 3.616 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)c3cccc4c[nH+]cn43)CC2)cc1Cl ZINC001155792812 1032709275 /nfs/dbraw/zinc/70/92/75/1032709275.db2.gz CINFOLDGVPRFLN-UHFFFAOYSA-N 1 0 380.835 3.543 20 30 GHEDRO Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001204289818 1032730778 /nfs/dbraw/zinc/73/07/78/1032730778.db2.gz UYGYHFCYMAJRQP-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCc3nc(C(=O)N4CCCC4)sc3CC2)cc1 ZINC001204299546 1032739718 /nfs/dbraw/zinc/73/97/18/1032739718.db2.gz AICSQUVGHMCRPB-UHFFFAOYSA-N 1 0 397.544 3.545 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)c(OC)c(Cl)c3)CC2)C1=O ZINC001276452979 1032750597 /nfs/dbraw/zinc/75/05/97/1032750597.db2.gz HYEYNJFULFKTRA-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c2ccccc21 ZINC001204320487 1032765075 /nfs/dbraw/zinc/76/50/75/1032765075.db2.gz JJYPVDWUGYMNOC-XMMPIXPASA-N 1 0 384.483 3.679 20 30 GHEDRO CCOC(=O)C1(C(F)(F)F)CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000932651177 1018558020 /nfs/dbraw/zinc/55/80/20/1018558020.db2.gz DDLIURWJAFFYFP-UHFFFAOYSA-N 1 0 384.398 3.535 20 30 GHEDRO C/C(=C/C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000778114935 1018604253 /nfs/dbraw/zinc/60/42/53/1018604253.db2.gz XMLAMPQIUJKTCC-SDXDJHTJSA-N 1 0 377.463 3.904 20 30 GHEDRO C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000932918662 1018752455 /nfs/dbraw/zinc/75/24/55/1018752455.db2.gz KDEOGZDFHJFZKL-FUHWJXTLSA-N 1 0 382.957 3.870 20 30 GHEDRO CCOC1CC(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000932941879 1018769212 /nfs/dbraw/zinc/76/92/12/1018769212.db2.gz DLKRFLVYLNYGLU-TVUZUIDESA-N 1 0 381.307 3.904 20 30 GHEDRO O=C1CCC(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000932945341 1018776582 /nfs/dbraw/zinc/77/65/82/1018776582.db2.gz VYZHFJXRZQOHFG-QWRGUYRKSA-N 1 0 379.291 3.849 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001228118820 1032794115 /nfs/dbraw/zinc/79/41/15/1032794115.db2.gz HXSLBCRQFAHYIA-JOCHJYFZSA-N 1 0 390.531 3.843 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OCC)c(OC)c1)C2 ZINC001204358469 1032794713 /nfs/dbraw/zinc/79/47/13/1032794713.db2.gz NBNOKHLPEWGCSF-VXKWHMMOSA-N 1 0 375.509 3.668 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1C ZINC000564759693 1019108908 /nfs/dbraw/zinc/10/89/08/1019108908.db2.gz DVEBLLPOUVORFF-QPPBQGQZSA-N 1 0 390.531 3.585 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000565291994 1019174920 /nfs/dbraw/zinc/17/49/20/1019174920.db2.gz ZKWQGLSBCFPIHX-SWCONJRYSA-N 1 0 377.463 3.925 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCCC2 ZINC000568643028 1019434168 /nfs/dbraw/zinc/43/41/68/1019434168.db2.gz LUNMRBHHGXWRIE-KXBFYZLASA-N 1 0 379.529 3.950 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000569382166 1019484884 /nfs/dbraw/zinc/48/48/84/1019484884.db2.gz UDILOPVLMADQEC-GJZGRUSLSA-N 1 0 378.501 3.866 20 30 GHEDRO N#Cc1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(Cl)c1 ZINC000575068423 1019922559 /nfs/dbraw/zinc/92/25/59/1019922559.db2.gz MNEVVRLBBRHROQ-IBGZPJMESA-N 1 0 396.922 3.947 20 30 GHEDRO COc1ccc(SCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047011432 1019940179 /nfs/dbraw/zinc/94/01/79/1019940179.db2.gz AUNFNFRQFUGLCV-UHFFFAOYSA-N 1 0 397.544 3.639 20 30 GHEDRO Cn1c2ccc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)cc2sc1=O ZINC000577158444 1020138215 /nfs/dbraw/zinc/13/82/15/1020138215.db2.gz IMRANYQLMVUMLU-UHFFFAOYSA-N 1 0 379.485 3.515 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(c3ccc4c(c3)OCO4)CCOCC1)CC2 ZINC000577990506 1020299836 /nfs/dbraw/zinc/29/98/36/1020299836.db2.gz RJBHRTHPWSPRFI-FQEVSTJZSA-N 1 0 376.456 3.612 20 30 GHEDRO CC[NH+](CC)CCn1c(NC(=O)c2ccccc2OCC#N)nc2ccccc21 ZINC000194090255 1020961626 /nfs/dbraw/zinc/96/16/26/1020961626.db2.gz HXLJGJLEFQMECG-UHFFFAOYSA-N 1 0 391.475 3.533 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC000834494932 1021224473 /nfs/dbraw/zinc/22/44/73/1021224473.db2.gz RBRPBENLXBZELQ-DOMZBBRYSA-N 1 0 383.498 3.628 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ncn(Cc3cccc(F)c3)n2)c(O)c1 ZINC000780150887 1021669843 /nfs/dbraw/zinc/66/98/43/1021669843.db2.gz ZEMAZFBSLXMPHR-FMCGGJTJSA-N 1 0 381.455 3.636 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140439007 1021709732 /nfs/dbraw/zinc/70/97/32/1021709732.db2.gz UBBPUDOYFCJGLX-MSOLQXFVSA-N 1 0 394.519 3.680 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000835067681 1021848754 /nfs/dbraw/zinc/84/87/54/1021848754.db2.gz AIJHSCWDFJPVCA-RTWAWAEBSA-N 1 0 399.535 3.843 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000835068356 1021854421 /nfs/dbraw/zinc/85/44/21/1021854421.db2.gz GMIYUFHABCQGKC-SCTDSRPQSA-N 1 0 387.524 3.960 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2)CC1 ZINC000754391877 1022667387 /nfs/dbraw/zinc/66/73/87/1022667387.db2.gz DMJOGYZSWAUMOG-UHFFFAOYSA-N 1 0 389.286 3.869 20 30 GHEDRO Cc1c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC001140848235 1022691441 /nfs/dbraw/zinc/69/14/41/1022691441.db2.gz LUKYKQRSDCULIT-UHFFFAOYSA-N 1 0 386.499 3.736 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000836248570 1022768850 /nfs/dbraw/zinc/76/88/50/1022768850.db2.gz FYAMYKPWHUEHHB-QGZVFWFLSA-N 1 0 383.521 3.552 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2ccc(C(F)(F)F)nn2)c1C ZINC000754711568 1022850999 /nfs/dbraw/zinc/85/09/99/1022850999.db2.gz ZTPSNKXMSKHBRV-MRXNPFEDSA-N 1 0 394.445 3.844 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000836307548 1022852576 /nfs/dbraw/zinc/85/25/76/1022852576.db2.gz ZZLKWFIVNOMXEA-IBGZPJMESA-N 1 0 391.515 3.723 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)c2ccc(C#N)cc2)c1=S ZINC000754759339 1022882394 /nfs/dbraw/zinc/88/23/94/1022882394.db2.gz RQVUOYWASGJQGD-UHFFFAOYSA-N 1 0 396.564 3.594 20 30 GHEDRO C[NH+]1CCC2(CCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)CC2)CC1 ZINC001156576706 1033111396 /nfs/dbraw/zinc/11/13/96/1033111396.db2.gz VRBWYURGKIMHGW-GOSISDBHSA-N 1 0 379.483 3.583 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(C)c(F)cc3Br)C2)C1=O ZINC001277332161 1033114185 /nfs/dbraw/zinc/11/41/85/1033114185.db2.gz OUIHWJZIBPMMND-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000755708560 1023343607 /nfs/dbraw/zinc/34/36/07/1023343607.db2.gz FASWNXUQJXVONK-UHFFFAOYSA-N 1 0 384.277 3.805 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)CCO2 ZINC001141076534 1023439133 /nfs/dbraw/zinc/43/91/33/1023439133.db2.gz HQCGDAGUICIJCG-UKILVPOCSA-N 1 0 396.575 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sc(N)c(C#N)c1Cl ZINC001141114086 1023530831 /nfs/dbraw/zinc/53/08/31/1023530831.db2.gz DOOSLQCYJFZBAL-ZSBIGDGJSA-N 1 0 396.944 3.875 20 30 GHEDRO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141114659 1023531448 /nfs/dbraw/zinc/53/14/48/1023531448.db2.gz UOQHYJXZUGTSOL-LLVKDONJSA-N 1 0 384.933 3.544 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccccc1SCc1c(C)noc1C ZINC000756544703 1023707938 /nfs/dbraw/zinc/70/79/38/1023707938.db2.gz QURWTAHPWLTCFQ-QGZVFWFLSA-N 1 0 384.501 3.838 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000757019175 1023909225 /nfs/dbraw/zinc/90/92/25/1023909225.db2.gz HOTLHWUFEZZDGT-GGAORHGYSA-N 1 0 375.516 3.615 20 30 GHEDRO N#Cc1cc(F)ccc1CN1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001141166944 1023998061 /nfs/dbraw/zinc/99/80/61/1023998061.db2.gz QGXKTPXPQTYGMF-UHFFFAOYSA-N 1 0 385.240 3.707 20 30 GHEDRO CC(C)(C)C#CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000837448404 1024465318 /nfs/dbraw/zinc/46/53/18/1024465318.db2.gz DUMNEDSMWQROHK-SFHVURJKSA-N 1 0 380.454 3.949 20 30 GHEDRO COc1cc2cccnc2c(N(c2nnc(Cl)cc2C#N)[C@H](C)CCC[NH3+])c1 ZINC001156750163 1033220781 /nfs/dbraw/zinc/22/07/81/1033220781.db2.gz KSQORYHFNJHKJG-CYBMUJFWSA-N 1 0 396.882 3.824 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc(C#N)ccc2Cl)CCOCC1 ZINC000831595147 1024672339 /nfs/dbraw/zinc/67/23/39/1024672339.db2.gz JVTFKDKQMHYQLW-UHFFFAOYSA-N 1 0 397.906 3.623 20 30 GHEDRO C#CCOc1ccc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001138347008 1024708448 /nfs/dbraw/zinc/70/84/48/1024708448.db2.gz CVJZJTFJBXMIRS-JOCHJYFZSA-N 1 0 378.516 3.804 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC001138347378 1024710424 /nfs/dbraw/zinc/71/04/24/1024710424.db2.gz WISBIBGOGHCQPF-RUZDIDTESA-N 1 0 390.527 3.948 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)cc1OC ZINC001138349349 1024711896 /nfs/dbraw/zinc/71/18/96/1024711896.db2.gz VSYFRQYOTMXHCW-WMZOPIPTSA-N 1 0 388.508 3.585 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(F)c(OC)c(F)c3)C2)CC1 ZINC001138420612 1024811399 /nfs/dbraw/zinc/81/13/99/1024811399.db2.gz CSBGVHLYRBLEFG-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc3c1OCOC3)[C@H]2CC ZINC001141390455 1024846942 /nfs/dbraw/zinc/84/69/42/1024846942.db2.gz WEVLPXLTGBLMFB-UGKGYDQZSA-N 1 0 388.483 3.614 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1 ZINC001138559483 1025021555 /nfs/dbraw/zinc/02/15/55/1025021555.db2.gz MLIVADFRBUMNGZ-UPVQGACJSA-N 1 0 392.499 3.544 20 30 GHEDRO C=CCC1(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000838280966 1025040937 /nfs/dbraw/zinc/04/09/37/1025040937.db2.gz VLJYSGOQNCVPHI-IBGZPJMESA-N 1 0 398.547 3.835 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2Cc3cnn(CC4CC4)c3[C@H](COCC)C2)c1O ZINC001138627750 1025128361 /nfs/dbraw/zinc/12/83/61/1025128361.db2.gz ODVZRXUIOIFACO-NRFANRHFSA-N 1 0 381.520 3.863 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)c1O ZINC001138627524 1025128542 /nfs/dbraw/zinc/12/85/42/1025128542.db2.gz KXZSBWYESPRDRS-RDGATRHJSA-N 1 0 390.527 3.959 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(NC(=O)c3ccc(OC)cc3)CC2)c1O ZINC001138629169 1025129836 /nfs/dbraw/zinc/12/98/36/1025129836.db2.gz QSCSIFCPQOUIMQ-UHFFFAOYSA-N 1 0 380.488 3.524 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1O ZINC001138628553 1025129940 /nfs/dbraw/zinc/12/99/40/1025129940.db2.gz XIDVRUWHDBSIAL-UHFFFAOYSA-N 1 0 391.515 3.673 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)NC2CCC2)C1 ZINC001138664172 1025185874 /nfs/dbraw/zinc/18/58/74/1025185874.db2.gz LDUULUZMTMZENI-KJXAQDMKSA-N 1 0 398.547 3.537 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001138664326 1025187078 /nfs/dbraw/zinc/18/70/78/1025187078.db2.gz NJPLXMQWMYWBMI-XUZZJYLKSA-N 1 0 391.515 3.565 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc4[nH]ccc4c3)C[C@@H]2c2ccccc2)C1=O ZINC001138744082 1025283784 /nfs/dbraw/zinc/28/37/84/1025283784.db2.gz LSKJMNADZUOWPL-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO C[NH+](C)CCOc1ccc(CN2CCC(C#N)(c3ccccc3F)CC2)cc1 ZINC001138773955 1025345879 /nfs/dbraw/zinc/34/58/79/1025345879.db2.gz UNTHQJYKBIFBSK-UHFFFAOYSA-N 1 0 381.495 3.823 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnn1[C@@H]1CCCCO1)[C@H]2CC ZINC001138780298 1025352084 /nfs/dbraw/zinc/35/20/84/1025352084.db2.gz YQMOJCBMICVPIX-BVSLBCMMSA-N 1 0 386.540 3.504 20 30 GHEDRO N#Cc1cc2nc(N3CCC([NH3+])(Cc4ccc(C(F)(F)F)cc4)CC3)ccc2[nH]1 ZINC001162056203 1025572105 /nfs/dbraw/zinc/57/21/05/1025572105.db2.gz BOOCXSMOVJTTOO-UHFFFAOYSA-N 1 0 399.420 3.994 20 30 GHEDRO CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001138984567 1025718975 /nfs/dbraw/zinc/71/89/75/1025718975.db2.gz OFHRSNCMODZLSK-DEOSSOPVSA-N 1 0 389.499 3.974 20 30 GHEDRO C[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC001162350338 1025722555 /nfs/dbraw/zinc/72/25/55/1025722555.db2.gz DAYJDKGEWMWEHE-KRWDZBQOSA-N 1 0 385.471 3.999 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001139028329 1025794957 /nfs/dbraw/zinc/79/49/57/1025794957.db2.gz RSWWESUEKPCJRZ-WMTXJRDZSA-N 1 0 394.515 3.985 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001139028499 1025797221 /nfs/dbraw/zinc/79/72/21/1025797221.db2.gz VYGWPFOXXQXXCB-UHFFFAOYSA-N 1 0 382.504 3.711 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001139028839 1025797545 /nfs/dbraw/zinc/79/75/45/1025797545.db2.gz FLQSAMQTVOAIEF-OAQYLSRUSA-N 1 0 380.488 3.849 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001139029669 1025798704 /nfs/dbraw/zinc/79/87/04/1025798704.db2.gz GLJADBBYJBXYOY-UHFFFAOYSA-N 1 0 392.425 3.773 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163056204 1026028976 /nfs/dbraw/zinc/02/89/76/1026028976.db2.gz OGGRXKFMKICBKN-MRXNPFEDSA-N 1 0 387.003 3.987 20 30 GHEDRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000839547416 1026041564 /nfs/dbraw/zinc/04/15/64/1026041564.db2.gz RPCDKSZDQDUTHD-GOSISDBHSA-N 1 0 387.524 3.929 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-n3cnc(-c4ccc(C[NH3+])cc4)c3)nn2)cc1 ZINC001163215042 1026089789 /nfs/dbraw/zinc/08/97/89/1026089789.db2.gz CVSWBGJSDIAGKM-HXUWFJFHSA-N 1 0 380.455 3.752 20 30 GHEDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nc(-c3cccs3)ccc2C#N)cc1 ZINC001163465084 1026204167 /nfs/dbraw/zinc/20/41/67/1026204167.db2.gz CZRWEYWQTYQTLX-MRXNPFEDSA-N 1 0 378.457 3.580 20 30 GHEDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ncc(C)cc2C#C[Si](C)(C)C)cc1 ZINC001163468883 1026206022 /nfs/dbraw/zinc/20/60/22/1026206022.db2.gz YVWAZPWANGAZEC-LJQANCHMSA-N 1 0 381.552 3.517 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ncccc1C(=O)N1CCc2ccccc21 ZINC001163473303 1026206954 /nfs/dbraw/zinc/20/69/54/1026206954.db2.gz OBSBVJRMJLSHPD-UHFFFAOYSA-N 1 0 399.498 3.774 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ncnc2c1ccn2Cc1ccccc1 ZINC001163471816 1026207310 /nfs/dbraw/zinc/20/73/10/1026207310.db2.gz IXAMTHOVHDRTCZ-UHFFFAOYSA-N 1 0 384.487 3.969 20 30 GHEDRO COC(=O)C[C@H](c1ccnc(NC(C)=NCc2cccc(C[NH3+])c2)c1)C1CC1 ZINC001163472693 1026207351 /nfs/dbraw/zinc/20/73/51/1026207351.db2.gz BPUJNFQELVNSSS-FQEVSTJZSA-N 1 0 380.492 3.628 20 30 GHEDRO N#Cc1cccc([C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CCO2)c1 ZINC000839716014 1026225882 /nfs/dbraw/zinc/22/58/82/1026225882.db2.gz KQOVNAJWOCYBLT-QHCPKHFHSA-N 1 0 389.499 3.758 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(-c4cnccn4)cc3)C2)C1 ZINC001139391289 1026260338 /nfs/dbraw/zinc/26/03/38/1026260338.db2.gz KBXVMGYFWXLETQ-HSZRJFAPSA-N 1 0 392.503 3.754 20 30 GHEDRO N#Cc1ccnc(-c2ccc(CN3CC[NH+](CCc4ccccc4)CC3)cc2)c1 ZINC001139407321 1026280059 /nfs/dbraw/zinc/28/00/59/1026280059.db2.gz XHPYFRJTSPQPRW-UHFFFAOYSA-N 1 0 382.511 3.981 20 30 GHEDRO CCCc1cc(C#N)c(N2CCC(COCC[NH+]3CCCC3)CC2)nc1Cl ZINC001163881648 1026349043 /nfs/dbraw/zinc/34/90/43/1026349043.db2.gz QEVDBMVGEKMKSJ-UHFFFAOYSA-N 1 0 390.959 3.888 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3ccc(C#N)c(F)c3)C1)C2 ZINC001139530079 1026388077 /nfs/dbraw/zinc/38/80/77/1026388077.db2.gz KGKVOVBGIKNAJX-AUSIDOKSSA-N 1 0 378.447 3.792 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC001139648892 1026510650 /nfs/dbraw/zinc/51/06/50/1026510650.db2.gz GCPIYJDLYNHOJT-QHCPKHFHSA-N 1 0 377.463 3.844 20 30 GHEDRO COC(=O)c1cccc2[nH]cc(C[NH+]3CCC(Oc4ccccc4C#N)CC3)c21 ZINC001139720723 1026562411 /nfs/dbraw/zinc/56/24/11/1026562411.db2.gz MHJHZCZHORZKFR-UHFFFAOYSA-N 1 0 389.455 3.870 20 30 GHEDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001165113343 1026614533 /nfs/dbraw/zinc/61/45/33/1026614533.db2.gz QQAOVRFSNZZBNK-GOSISDBHSA-N 1 0 384.911 3.839 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnc(-c4ccc(OC)cc4)s3)C2)C1=O ZINC001139794186 1026617626 /nfs/dbraw/zinc/61/76/26/1026617626.db2.gz VYBHKEIJWSHPEV-QFIPXVFZSA-N 1 0 397.544 3.819 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CCCCC34CC[NH2+]CC4)nc2)cc1 ZINC001165340480 1026707201 /nfs/dbraw/zinc/70/72/01/1026707201.db2.gz RGMHPENHVTXKDI-UHFFFAOYSA-N 1 0 376.504 3.839 20 30 GHEDRO N#Cc1c[nH]c2nc(Cl)cc(NCc3ccc(CN4CCOCC4)cc3)c12 ZINC001165368613 1026714048 /nfs/dbraw/zinc/71/40/48/1026714048.db2.gz XETGZDIRQNDPPK-UHFFFAOYSA-N 1 0 381.867 3.532 20 30 GHEDRO N#Cc1cc(Cl)cc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165476742 1026738610 /nfs/dbraw/zinc/73/86/10/1026738610.db2.gz NTBVOFIUIPYFHF-QUCCMNQESA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1c(Cl)ccnc1N(c1cccc(F)c1)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001165479641 1026741476 /nfs/dbraw/zinc/74/14/76/1026741476.db2.gz MSBIFADHSYHRNW-JXFKEZNVSA-N 1 0 386.858 3.795 20 30 GHEDRO COc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001140060768 1026839932 /nfs/dbraw/zinc/83/99/32/1026839932.db2.gz MEYDZQFNQDKHLN-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@@H]1c1ccc(F)cc1 ZINC001140116554 1026898029 /nfs/dbraw/zinc/89/80/29/1026898029.db2.gz AMYKZQAZPOMTLU-UXHICEINSA-N 1 0 377.419 3.567 20 30 GHEDRO COc1ccnc(N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)c1C#N ZINC001166127551 1026924748 /nfs/dbraw/zinc/92/47/48/1026924748.db2.gz OJIOGZAROCQNQM-UHFFFAOYSA-N 1 0 397.482 3.797 20 30 GHEDRO N#Cc1c(F)ccnc1N1CC2(CC[NH2+]CC2)c2c1cccc2-c1cccnc1 ZINC001166128698 1026925335 /nfs/dbraw/zinc/92/53/35/1026925335.db2.gz BDTQKJMZXZQPFR-UHFFFAOYSA-N 1 0 385.446 3.927 20 30 GHEDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2nc(Cl)c(CCC)cc2C#N)C1 ZINC001166877158 1027127778 /nfs/dbraw/zinc/12/77/78/1027127778.db2.gz ZRMHTZXOUTYEIX-AWEZNQCLSA-N 1 0 389.956 3.748 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)C1 ZINC001203665003 1027519140 /nfs/dbraw/zinc/51/91/40/1027519140.db2.gz FSTDQUXDAVFEOH-GOSISDBHSA-N 1 0 391.346 3.734 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cc(Br)ccc2C#N)C1 ZINC001141902798 1027627284 /nfs/dbraw/zinc/62/72/84/1027627284.db2.gz DYJYVCOPDJCMPY-ZDUSSCGKSA-N 1 0 394.313 3.667 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C#N)cc3)O2)cs1 ZINC001203902089 1027694212 /nfs/dbraw/zinc/69/42/12/1027694212.db2.gz VYHPVNGMJYVHMM-PWRODBHTSA-N 1 0 383.517 3.662 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC001203902318 1027696347 /nfs/dbraw/zinc/69/63/47/1027696347.db2.gz ZKNJSUKWZQKHQL-PKTZIBPZSA-N 1 0 377.488 3.541 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(Br)cc1)CC2 ZINC001203907619 1027699191 /nfs/dbraw/zinc/69/91/91/1027699191.db2.gz ALCVEIBDTAZLQO-IBGZPJMESA-N 1 0 377.326 3.982 20 30 GHEDRO CSc1nc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)ccc1C#N ZINC001141941588 1027715811 /nfs/dbraw/zinc/71/58/11/1027715811.db2.gz PWXOUZXMAFOATA-UHFFFAOYSA-N 1 0 378.545 3.698 20 30 GHEDRO CSc1nc(C[N@H+](C)C2(C)CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141944098 1027722775 /nfs/dbraw/zinc/72/27/75/1027722775.db2.gz XRHOEIGXZWAFAS-UHFFFAOYSA-N 1 0 390.553 3.897 20 30 GHEDRO CSc1nc(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)ccc1C#N ZINC001141945476 1027726356 /nfs/dbraw/zinc/72/63/56/1027726356.db2.gz AFPLURPJGIHIBF-OAQYLSRUSA-N 1 0 379.485 3.516 20 30 GHEDRO CSc1nc(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)ccc1C#N ZINC001141945475 1027726887 /nfs/dbraw/zinc/72/68/87/1027726887.db2.gz AFPLURPJGIHIBF-NRFANRHFSA-N 1 0 379.485 3.516 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(OC(C)=O)cc2)CC1 ZINC001203951063 1027747333 /nfs/dbraw/zinc/74/73/33/1027747333.db2.gz FQFSPSGRZHITRA-UHFFFAOYSA-N 1 0 380.444 3.536 20 30 GHEDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C#Cc3ccccc3)s1)CC2 ZINC001141975734 1027789471 /nfs/dbraw/zinc/78/94/71/1027789471.db2.gz IDBOLMQXOITVSM-NRFANRHFSA-N 1 0 378.541 3.838 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(O)c(OCC)c3)C2)CC1 ZINC001204128347 1027901717 /nfs/dbraw/zinc/90/17/17/1027901717.db2.gz SPOAXWYEGNMVEW-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO Cc1ccc(Cl)cc1-c1noc([C@@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)n1 ZINC001211379831 1027931097 /nfs/dbraw/zinc/93/10/97/1027931097.db2.gz PBRCKVWUEQUGQW-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO Cc1cc(-c2noc([C@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)ccc1Cl ZINC001211379549 1027931161 /nfs/dbraw/zinc/93/11/61/1027931161.db2.gz JTNPCCKFWNZFKZ-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)cc1 ZINC000840958110 1027989015 /nfs/dbraw/zinc/98/90/15/1027989015.db2.gz IJYRTDPELUALJI-VXKWHMMOSA-N 1 0 398.547 3.952 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000841087656 1028110816 /nfs/dbraw/zinc/11/08/16/1028110816.db2.gz UXDALEYQVXKYJH-BLLLJJGKSA-N 1 0 390.365 3.731 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000841123080 1028175553 /nfs/dbraw/zinc/17/55/53/1028175553.db2.gz PPRCQDZRMVLVMC-SJKOYZFVSA-N 1 0 390.365 3.731 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc(N2CCCC2)c(C#N)c1 ZINC001213549282 1028258523 /nfs/dbraw/zinc/25/85/23/1028258523.db2.gz BGXCRYZNJAFNEK-UHFFFAOYSA-N 1 0 391.519 3.662 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001461405643 1069536701 /nfs/dbraw/zinc/53/67/01/1069536701.db2.gz BDNIVYMUUDQIFL-UHFFFAOYSA-N 1 0 385.895 3.965 20 30 GHEDRO C[C@@H](C#N)c1cccc(-c2nc(-c3cccc(CN4CC[NH+](C)CC4)c3)no2)c1 ZINC001215350014 1029167277 /nfs/dbraw/zinc/16/72/77/1029167277.db2.gz GCVKMSZDDWAVPB-KRWDZBQOSA-N 1 0 387.487 3.778 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000842885710 1029661665 /nfs/dbraw/zinc/66/16/65/1029661665.db2.gz QTQRLBSJIGZHLF-NJDAHSKKSA-N 1 0 399.535 3.647 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@]4(CC(=O)N(c5ccsc5)C4)C3)c[nH]c2c1 ZINC001142928778 1029709497 /nfs/dbraw/zinc/70/94/97/1029709497.db2.gz KKZIIQKXKBXRGL-OAQYLSRUSA-N 1 0 376.485 3.730 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NCCCCCC[NH3+])n(-c2ccc(C#N)cc2)n1 ZINC000843042811 1029782740 /nfs/dbraw/zinc/78/27/40/1029782740.db2.gz VKTZYPFGCQQFKM-UHFFFAOYSA-N 1 0 382.512 3.682 20 30 GHEDRO Cc1cccc(-c2noc(-c3cccc(NC(=O)[C@@H]4C[C@H](S)C[NH2+]4)c3)n2)c1C ZINC001216718174 1029904179 /nfs/dbraw/zinc/90/41/79/1029904179.db2.gz MWORUKPIXLXREH-WMZOPIPTSA-N 1 0 394.500 3.619 20 30 GHEDRO C[C@H](C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000843417128 1029990309 /nfs/dbraw/zinc/99/03/09/1029990309.db2.gz PSSSVIRPMIAVGZ-DLBZAZTESA-N 1 0 386.540 3.808 20 30 GHEDRO C=CCC1([NH2+]Cc2cccc(F)c2I)CCOCC1 ZINC001461622250 1069644943 /nfs/dbraw/zinc/64/49/43/1069644943.db2.gz NRGRZVQCNBAOCZ-UHFFFAOYSA-N 1 0 375.225 3.645 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2csc3c2CC[NH2+]C3)n1 ZINC001217257810 1030264537 /nfs/dbraw/zinc/26/45/37/1030264537.db2.gz HMJJGJOKXTZFMD-UHFFFAOYSA-N 1 0 387.262 3.745 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NCC[NH+]2CCCCC2)n(-c2ccc(C#N)cc2)n1 ZINC001217730064 1030632084 /nfs/dbraw/zinc/63/20/84/1030632084.db2.gz AUDSRKDOBSPVRL-UHFFFAOYSA-N 1 0 394.523 3.649 20 30 GHEDRO C=C(C)C(=O)OC[C@@H](C)OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001223628841 1030672042 /nfs/dbraw/zinc/67/20/42/1030672042.db2.gz FYEGNMOGAWUAOR-LJQANCHMSA-N 1 0 375.509 3.966 20 30 GHEDRO COc1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001217946046 1030679322 /nfs/dbraw/zinc/67/93/22/1030679322.db2.gz AVBZKYRPUAYOLG-BUHCOJROSA-N 1 0 385.435 3.766 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2C[NH2+]CCC[C@@H]2F)c(Br)c1 ZINC001217973250 1030699336 /nfs/dbraw/zinc/69/93/36/1030699336.db2.gz BCFCIEJZRIZZPX-RYUDHWBXSA-N 1 0 392.066 3.552 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217975940 1030700110 /nfs/dbraw/zinc/70/01/10/1030700110.db2.gz VJQKVMCONBHDAN-JGZYNSJSSA-N 1 0 383.444 3.523 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@@H]3C[NH2+]C[C@@H]3F)cc2)C=C1 ZINC001217999800 1030714891 /nfs/dbraw/zinc/71/48/91/1030714891.db2.gz NXMRRBQIMKRIDV-FCHUYYIVSA-N 1 0 377.415 3.578 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H]2CCN2C2CCCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC001461698499 1069686126 /nfs/dbraw/zinc/68/61/26/1069686126.db2.gz HEKIFBCJAFUKQE-JOCHJYFZSA-N 1 0 377.536 3.845 20 30 GHEDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001218029569 1030732418 /nfs/dbraw/zinc/73/24/18/1030732418.db2.gz LRYLPFWXEZBPDP-MDBVGSSFSA-N 1 0 379.504 3.697 20 30 GHEDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001218029566 1030732650 /nfs/dbraw/zinc/73/26/50/1030732650.db2.gz LRYLPFWXEZBPDP-KUSSSXMOSA-N 1 0 379.504 3.697 20 30 GHEDRO CCCCC/C=C\C(=O)CCc1ccc(O[C@@H]2COC3(C[NH2+]C3)C2)c(OC)c1 ZINC001218063196 1030751781 /nfs/dbraw/zinc/75/17/81/1030751781.db2.gz SGFOSBZRFYYXTH-AQWUKCDYSA-N 1 0 387.520 3.843 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1OC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001218069663 1030754872 /nfs/dbraw/zinc/75/48/72/1030754872.db2.gz UYQZCPGTCYIESL-QGZVFWFLSA-N 1 0 384.520 3.941 20 30 GHEDRO O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089352 1030765713 /nfs/dbraw/zinc/76/57/13/1030765713.db2.gz FEDPIQWFMBJCEN-AZPNRALZSA-N 1 0 395.455 3.611 20 30 GHEDRO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+]CCc2ccc(C#N)cc2)on1 ZINC001206637299 1030769311 /nfs/dbraw/zinc/76/93/11/1030769311.db2.gz YYWYXBMYHGWAER-UHFFFAOYSA-N 1 0 384.480 3.638 20 30 GHEDRO COc1cc(O[C@H]2CSC3(C[NH2+]C3)C2)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218103573 1030774150 /nfs/dbraw/zinc/77/41/50/1030774150.db2.gz RIDUWNFDRKXFME-CHHNCHTKSA-N 1 0 397.496 3.523 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218115489 1030780178 /nfs/dbraw/zinc/78/01/78/1030780178.db2.gz GYBGBIXGFZKFLL-NCHMYRSISA-N 1 0 391.515 3.841 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3CC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001218120972 1030782949 /nfs/dbraw/zinc/78/29/49/1030782949.db2.gz VAORYXXXHXIJIV-YADHBBJMSA-N 1 0 399.512 3.605 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC001218184493 1030811831 /nfs/dbraw/zinc/81/18/31/1030811831.db2.gz JVDDGKKHFYMEJR-JGPRNRPPSA-N 1 0 386.087 3.745 20 30 GHEDRO C[C@@H](Oc1ccc(CN2CC[NH2+]CC2)cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC001218197546 1030820531 /nfs/dbraw/zinc/82/05/31/1030820531.db2.gz QVBNPWIOQQAFON-LLVKDONJSA-N 1 0 388.327 3.692 20 30 GHEDRO CCCCCCCCC(=O)NCc1ccc(O[C@@H]2C[NH2+]C[C@@H]2C#N)c(OC)c1 ZINC001218202142 1030825277 /nfs/dbraw/zinc/82/52/77/1030825277.db2.gz YRLNYTSPUUKPAO-GHTZIAJQSA-N 1 0 387.524 3.552 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)c(Br)cc1[N+](=O)[O-] ZINC001218210703 1030833002 /nfs/dbraw/zinc/83/30/02/1030833002.db2.gz HQDKLDJPXFBXFA-LBPRGKRZSA-N 1 0 381.148 3.673 20 30 GHEDRO C[Si](C)(C)C#C[C@H](Oc1ccc(C(=O)N2CC[NH2+]CC2)cc1)c1ccccc1 ZINC001218215886 1030835890 /nfs/dbraw/zinc/83/58/90/1030835890.db2.gz WVFLQPGNLHICDZ-QFIPXVFZSA-N 1 0 392.575 3.733 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@H]2C[NH2+]CC[C@H]2F)c(OC)c1 ZINC001218321188 1030890809 /nfs/dbraw/zinc/89/08/09/1030890809.db2.gz BYVJNWXNLNISAL-XISBUJSRSA-N 1 0 391.483 3.896 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@@H]2C=CC[NH2+]C2)cc1 ZINC001218335319 1030900057 /nfs/dbraw/zinc/90/00/57/1030900057.db2.gz VVUQOCNUXDOWCY-VEGGFIAOSA-N 1 0 395.455 3.515 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3C[NH2+]CCC34CC4)c3ccccc23)ccc1F ZINC001218407206 1030925007 /nfs/dbraw/zinc/92/50/07/1030925007.db2.gz VAGNIPOGUVNLDB-OAQYLSRUSA-N 1 0 388.446 3.752 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2C[NH2+]CCC23CC3)c1 ZINC001218407745 1030925999 /nfs/dbraw/zinc/92/59/99/1030925999.db2.gz ZJPQIXJBYFDJQJ-KSBKHAFUSA-N 1 0 395.455 3.523 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(OC)c1 ZINC001218449771 1030941103 /nfs/dbraw/zinc/94/11/03/1030941103.db2.gz SORDXIHLJUYZAO-OJUSXLKGSA-N 1 0 385.504 3.946 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001218540701 1030979550 /nfs/dbraw/zinc/97/95/50/1030979550.db2.gz DYSODTQXBXMFST-MRXNPFEDSA-N 1 0 380.448 3.637 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224389775 1030982929 /nfs/dbraw/zinc/98/29/29/1030982929.db2.gz UIFMUQMZUCIZMP-VWNXMTODSA-N 1 0 375.516 3.962 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)C[NH2+]3)n2)s1 ZINC001218787955 1031079665 /nfs/dbraw/zinc/07/96/65/1031079665.db2.gz OVCZUMIZBVWUSV-WCBMZHEXSA-N 1 0 386.424 3.612 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=O)[C@@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)cc1 ZINC001218808658 1031086781 /nfs/dbraw/zinc/08/67/81/1031086781.db2.gz IJBRHTSDPSKPPA-HTAPYJJXSA-N 1 0 376.504 3.657 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](OCCCC(=O)OCc2ccccc2)C1 ZINC001224737167 1031097389 /nfs/dbraw/zinc/09/73/89/1031097389.db2.gz VIDLIJUOPCMEOS-JOCHJYFZSA-N 1 0 378.472 3.673 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](c3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001218840647 1031107119 /nfs/dbraw/zinc/10/71/19/1031107119.db2.gz RMOLUPQCIXJEIC-CVEARBPZSA-N 1 0 389.377 3.789 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)cnc3OCC)CC2)C1=O ZINC001276996542 1031118641 /nfs/dbraw/zinc/11/86/41/1031118641.db2.gz LAGIGZZGSGOZOI-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO CCCc1nc2ccc(NC(=O)[C@@H]3C[C@@H](Cc4ccccc4C#N)C[NH2+]3)cc2o1 ZINC001218868082 1031126501 /nfs/dbraw/zinc/12/65/01/1031126501.db2.gz YXCWLPKADRAHGD-QRWLVFNGSA-N 1 0 388.471 3.811 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224828396 1031140582 /nfs/dbraw/zinc/14/05/82/1031140582.db2.gz DFXJUYKQCRDTDF-PCCBWWKXSA-N 1 0 399.535 3.674 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)[C@@H]3CC4(CC[NH2+]CC4)c4ccccc43)cc2s1 ZINC001218910306 1031148044 /nfs/dbraw/zinc/14/80/44/1031148044.db2.gz IXWLZOFEVKRYQS-MRXNPFEDSA-N 1 0 388.496 3.915 20 30 GHEDRO CNc1ccc(C#N)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001218981764 1031194128 /nfs/dbraw/zinc/19/41/28/1031194128.db2.gz UZEXIQOFDGXMDZ-CVEARBPZSA-N 1 0 388.393 3.560 20 30 GHEDRO N#Cc1c[nH]c2cc(NC(=O)C3(Cc4ccccc4F)CC[NH2+]CC3)ccc12 ZINC001219045040 1031227858 /nfs/dbraw/zinc/22/78/58/1031227858.db2.gz WDVHCNRDQHXEBE-UHFFFAOYSA-N 1 0 376.435 3.730 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001219107525 1031256632 /nfs/dbraw/zinc/25/66/32/1031256632.db2.gz KYWYFURZCUWLOS-HXUWFJFHSA-N 1 0 389.430 3.881 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)Nc3cccc(N4CC[NH2+]CC4)c3)c2)c1 ZINC001219119521 1031261049 /nfs/dbraw/zinc/26/10/49/1031261049.db2.gz ABKBGMSPPIGRNG-UHFFFAOYSA-N 1 0 398.466 3.593 20 30 GHEDRO CC(C)Oc1cc(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)cc(C(F)(F)F)c1 ZINC001219172760 1031286940 /nfs/dbraw/zinc/28/69/40/1031286940.db2.gz RPKQMFQENDKKLA-SFHVURJKSA-N 1 0 391.393 3.873 20 30 GHEDRO O=C(C[C@H]1CC[NH2+]C[C@@H]1F)Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC001219273984 1031335995 /nfs/dbraw/zinc/33/59/95/1031335995.db2.gz RIMLPAXYSOHFRB-KCJUWKMLSA-N 1 0 388.283 3.880 20 30 GHEDRO CCOc1ccc(C[C@H]([NH3+])C(=O)Nc2cccc(C#C[Si](C)(C)C)c2)cc1 ZINC001219309409 1031349891 /nfs/dbraw/zinc/34/98/91/1031349891.db2.gz YWEMYNIZZCSKLB-NRFANRHFSA-N 1 0 380.564 3.823 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)c2cccc(O[C@@H]3CC[NH2+]C3)c2)c1 ZINC001219310640 1031350821 /nfs/dbraw/zinc/35/08/21/1031350821.db2.gz LSPSVWRWBIKHPO-OAQYLSRUSA-N 1 0 378.548 3.909 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(F)c(OCC2CC2)c(F)c1 ZINC001219323429 1031357877 /nfs/dbraw/zinc/35/78/77/1031357877.db2.gz ISOGGOPESYFXMN-MSOLQXFVSA-N 1 0 397.425 3.567 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219645115 1031536727 /nfs/dbraw/zinc/53/67/27/1031536727.db2.gz IQKDITIUAUBOGG-VQTJNVASSA-N 1 0 381.605 3.728 20 30 GHEDRO CCC[C@@H]1CN(C(=O)Nc2cc(CC#N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001219701696 1031564887 /nfs/dbraw/zinc/56/48/87/1031564887.db2.gz VJTGYNOPWMGAEN-HXUWFJFHSA-N 1 0 377.492 3.666 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)NCc2ccc3c(c2)CC[NH2+]C3)c(F)c1F ZINC001219708191 1031568284 /nfs/dbraw/zinc/56/82/84/1031568284.db2.gz XKSTWFOISZNJSZ-UHFFFAOYSA-N 1 0 378.369 3.547 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN2Cc2c(C)cccc2Br)C1=O ZINC001276809379 1031721539 /nfs/dbraw/zinc/72/15/39/1031721539.db2.gz FTLOHWWGHWQEBE-IBGZPJMESA-N 1 0 377.326 3.901 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)cc21 ZINC001220201941 1031833221 /nfs/dbraw/zinc/83/32/21/1031833221.db2.gz GUWXWHMRYHQTPE-HXUWFJFHSA-N 1 0 381.455 3.786 20 30 GHEDRO C=CCC1(NC(=O)Nc2cccc(OCC[NH+](CC)CC)c2)CCOCC1 ZINC001220390638 1031924787 /nfs/dbraw/zinc/92/47/87/1031924787.db2.gz JRBNQBCEBHEFNL-UHFFFAOYSA-N 1 0 375.513 3.654 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001220619244 1032021252 /nfs/dbraw/zinc/02/12/52/1032021252.db2.gz LOMGFEVQABOFNF-GOTSBHOMSA-N 1 0 375.516 3.887 20 30 GHEDRO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3sc(=O)[nH]c3Cl)C2)C1=O ZINC001277141021 1032037613 /nfs/dbraw/zinc/03/76/13/1032037613.db2.gz OVSCPQVUVBQNOF-LJQANCHMSA-N 1 0 389.908 3.569 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001220664023 1032051405 /nfs/dbraw/zinc/05/14/05/1032051405.db2.gz UNKJPRWGKZNFHR-OXJNMPFZSA-N 1 0 375.472 3.547 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-c3ccc(OCCC[NH+](C)C)nc3)nn2)cc1 ZINC001205198303 1033295681 /nfs/dbraw/zinc/29/56/81/1033295681.db2.gz LMCQUCXSLYRWOP-FQEVSTJZSA-N 1 0 387.487 3.833 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC001229291552 1033395207 /nfs/dbraw/zinc/39/52/07/1033395207.db2.gz GMOLTVCAOFGDFG-RDPSFJRHSA-N 1 0 389.543 3.730 20 30 GHEDRO N#Cc1cc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)ccc1F ZINC001205467132 1033425417 /nfs/dbraw/zinc/42/54/17/1033425417.db2.gz JTQXSNUSYUXUMT-UPVQGACJSA-N 1 0 397.538 3.658 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)ccc1F ZINC001205467808 1033426530 /nfs/dbraw/zinc/42/65/30/1033426530.db2.gz XJLYGGLWPNNSJE-UNMCSNQZSA-N 1 0 381.451 3.542 20 30 GHEDRO CC[N@@H+]1CC[C@H](Oc2cc(OC)cc(OC)c2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001229467246 1033499444 /nfs/dbraw/zinc/49/94/44/1033499444.db2.gz HKWPLMJZRFBFDV-HKMNZKMDSA-N 1 0 397.471 3.779 20 30 GHEDRO CC(C)(C)N1CC(Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001229587195 1033575046 /nfs/dbraw/zinc/57/50/46/1033575046.db2.gz SWVYIWXQHMKYBD-XBXARRHUSA-N 1 0 383.444 3.561 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157434389 1033585704 /nfs/dbraw/zinc/58/57/04/1033585704.db2.gz KVTRLAUKSLJKBC-INIZCTEOSA-N 1 0 376.838 3.910 20 30 GHEDRO N#Cc1cc(-c2c(F)cc(C3OCCO3)cc2F)ccc1OC1CC[NH2+]CC1 ZINC001205926895 1033637315 /nfs/dbraw/zinc/63/73/15/1033637315.db2.gz UFCSUAUAABIUJU-UHFFFAOYSA-N 1 0 386.398 3.680 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001157527109 1033640269 /nfs/dbraw/zinc/64/02/69/1033640269.db2.gz AVRSGXHJGFHYDE-CJZRDCOESA-N 1 0 388.511 3.859 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cc(C#N)ccc2F)cc1 ZINC001206055237 1033701275 /nfs/dbraw/zinc/70/12/75/1033701275.db2.gz HDMXWYPQZOOTBN-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO COc1cc(C(F)(F)N2CCC(C)([NH+]3CCCC3)CC2)c(C#N)c(Cl)n1 ZINC001157661122 1033709103 /nfs/dbraw/zinc/70/91/03/1033709103.db2.gz WPNLVHLVAKGOEJ-UHFFFAOYSA-N 1 0 384.858 3.615 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC001206203008 1033762506 /nfs/dbraw/zinc/76/25/06/1033762506.db2.gz LDWBDEYGGNJGAD-ZDUSSCGKSA-N 1 0 382.302 3.572 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccccc3/C=N/c3ccccc3O)C[C@H]1[N@@H+]2C ZINC001229934553 1033798690 /nfs/dbraw/zinc/79/86/90/1033798690.db2.gz CKATYPNVZGCDMI-PJKMDFJHSA-N 1 0 394.471 3.688 20 30 GHEDRO COC(=O)C1=C[C@@H](Oc2ccc(C3(C#N)CC3)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001229943407 1033806315 /nfs/dbraw/zinc/80/63/15/1033806315.db2.gz GOPGRDRXDBKFEZ-JOCHJYFZSA-N 1 0 388.467 3.604 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(C)c(Cl)cc3Cl)C2)C1=O ZINC001277443083 1033879472 /nfs/dbraw/zinc/87/94/72/1033879472.db2.gz KDKACUMMMVYGCX-IBGZPJMESA-N 1 0 381.303 3.829 20 30 GHEDRO N#Cc1cnc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)c(C#N)c1 ZINC001158088081 1033908434 /nfs/dbraw/zinc/90/84/34/1033908434.db2.gz DJSOOKILOGAHOA-UHFFFAOYSA-N 1 0 385.393 3.602 20 30 GHEDRO COc1ccc(CN(c2ncnc3ccc(C#N)cc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158155134 1033941005 /nfs/dbraw/zinc/94/10/05/1033941005.db2.gz VIAPWQGNQFVIRQ-WGSAOQKQSA-N 1 0 387.487 3.787 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(-c3ccc(OC)cc3)on1)CC2 ZINC001206825513 1034006024 /nfs/dbraw/zinc/00/60/24/1034006024.db2.gz KHGSBALYPVYCNM-HSZRJFAPSA-N 1 0 395.503 3.883 20 30 GHEDRO CC[C@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001230384541 1034024405 /nfs/dbraw/zinc/02/44/05/1034024405.db2.gz KWZKYNABZCCDJG-QFIPXVFZSA-N 1 0 376.504 3.559 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(F)cccc1OC(F)F)CC2 ZINC001207113384 1034100902 /nfs/dbraw/zinc/10/09/02/1034100902.db2.gz MVKJWUUSPPOBHC-FQEVSTJZSA-N 1 0 382.426 3.960 20 30 GHEDRO C#CC[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccccc1 ZINC001230565906 1034124441 /nfs/dbraw/zinc/12/44/41/1034124441.db2.gz NCLVONNFPKNPEH-NFBKMPQASA-N 1 0 375.516 3.915 20 30 GHEDRO C=CCN(CC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001207201691 1034170188 /nfs/dbraw/zinc/17/01/88/1034170188.db2.gz CMTVGCXRPDGCCX-UHFFFAOYSA-N 1 0 397.560 3.741 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)C1 ZINC001207213979 1034179883 /nfs/dbraw/zinc/17/98/83/1034179883.db2.gz GWYUEGOJGXKEIZ-IEBWSBKVSA-N 1 0 385.508 3.658 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3C(C)C)C2)C1=O ZINC001277471668 1034290586 /nfs/dbraw/zinc/29/05/86/1034290586.db2.gz AZSVQOFLGPOOIE-HXUWFJFHSA-N 1 0 389.337 3.630 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001207376749 1034321939 /nfs/dbraw/zinc/32/19/39/1034321939.db2.gz ZVCRBHMIMQTTHN-OALUTQOASA-N 1 0 385.508 3.801 20 30 GHEDRO COC(=O)C[C@@H](C)c1cccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001231012936 1034343005 /nfs/dbraw/zinc/34/30/05/1034343005.db2.gz RUPYQWOULIPLFV-VGSWGCGISA-N 1 0 378.472 3.878 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C#N ZINC001231030848 1034351117 /nfs/dbraw/zinc/35/11/17/1034351117.db2.gz LSRUIOUIFIPYOA-IUTQVRIDSA-N 1 0 390.483 3.848 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159009949 1034378625 /nfs/dbraw/zinc/37/86/25/1034378625.db2.gz FETMKZYUSZUXPJ-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO N#Cc1cc(N2CCC3(CC2)[NH2+]CCc2ccccc23)nc2ccc([N+](=O)[O-])cc12 ZINC001159017703 1034383281 /nfs/dbraw/zinc/38/32/81/1034383281.db2.gz IXTJKJHURXIMJD-UHFFFAOYSA-N 1 0 399.454 3.656 20 30 GHEDRO CCCCCCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001207494400 1034400508 /nfs/dbraw/zinc/40/05/08/1034400508.db2.gz ZGWAXGXDEIRLGU-INIZCTEOSA-N 1 0 379.549 3.909 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](CCc1cccc(Br)c1)CC2 ZINC001207503203 1034409314 /nfs/dbraw/zinc/40/93/14/1034409314.db2.gz BBIPZLIQVVEMJJ-UHFFFAOYSA-N 1 0 393.325 3.712 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc3cc(N(C)C)ccc3c1)CC2 ZINC001231441893 1034589989 /nfs/dbraw/zinc/58/99/89/1034589989.db2.gz YYSWFOOPVTYWHV-UHFFFAOYSA-N 1 0 390.531 3.900 20 30 GHEDRO N#Cc1cc(Nc2ccc(I)cc2F)cc(C2C[NH2+]C2)c1 ZINC001159505135 1034623210 /nfs/dbraw/zinc/62/32/10/1034623210.db2.gz URKSBCDMTDAKAY-UHFFFAOYSA-N 1 0 393.203 3.732 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159546473 1034655649 /nfs/dbraw/zinc/65/56/49/1034655649.db2.gz WNOUTOMUUCVEOB-UHFFFAOYSA-N 1 0 380.870 3.885 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC(C)C)nc1)CC2 ZINC001231531823 1034685703 /nfs/dbraw/zinc/68/57/03/1034685703.db2.gz FQPZLMIDDUCJHB-UHFFFAOYSA-N 1 0 387.524 3.869 20 30 GHEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1Cl)c1ccccc1 ZINC001208032598 1034711101 /nfs/dbraw/zinc/71/11/01/1034711101.db2.gz WJZTXWXACPMLJY-KRWDZBQOSA-N 1 0 391.924 3.573 20 30 GHEDRO N#Cc1cc(Nc2cccc(OCC(F)(F)F)c2)ccc1N1CC[NH2+]CC1 ZINC001159748969 1034732156 /nfs/dbraw/zinc/73/21/56/1034732156.db2.gz SHEBENNPNBDYCN-UHFFFAOYSA-N 1 0 376.382 3.653 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001208119419 1034747680 /nfs/dbraw/zinc/74/76/80/1034747680.db2.gz AXDWSTFLZAKGBX-BGFHFNBTSA-N 1 0 386.540 3.526 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001208119421 1034747847 /nfs/dbraw/zinc/74/78/47/1034747847.db2.gz AXDWSTFLZAKGBX-MDVNVLNJSA-N 1 0 386.540 3.526 20 30 GHEDRO COc1c(F)cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1Br ZINC001159818615 1034753245 /nfs/dbraw/zinc/75/32/45/1034753245.db2.gz PPJPPIFKFYGTPV-UHFFFAOYSA-N 1 0 376.229 3.899 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3OC[C@@H](C(=O)NCc4ccco4)C[C@H]3C2)CC1 ZINC001208174662 1034772822 /nfs/dbraw/zinc/77/28/22/1034772822.db2.gz GTUAHGZSLXQADF-BESBDSHLSA-N 1 0 398.547 3.925 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)CC1 ZINC001208174943 1034774417 /nfs/dbraw/zinc/77/44/17/1034774417.db2.gz LERVGLWIWXAJMB-KAOXLYBCSA-N 1 0 375.553 3.964 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001231619152 1034776671 /nfs/dbraw/zinc/77/66/71/1034776671.db2.gz HUTFQVKDYMQCQJ-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)c1 ZINC001231622621 1034781711 /nfs/dbraw/zinc/78/17/11/1034781711.db2.gz BHDIKBVMSUORRI-NRFANRHFSA-N 1 0 398.547 3.635 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](CCc4cccc(F)c4)C3)C2)c1 ZINC001208198356 1034791135 /nfs/dbraw/zinc/79/11/35/1034791135.db2.gz QJKOWSLTJBHHOH-DEOSSOPVSA-N 1 0 393.506 3.859 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC001208209535 1034801647 /nfs/dbraw/zinc/80/16/47/1034801647.db2.gz PMSLNWFTDPNSEQ-JPYJTQIMSA-N 1 0 384.520 3.627 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC(c3cc4c(ncn4C)c(N4CCCC4)n3)CC2)c1 ZINC001231654953 1034812572 /nfs/dbraw/zinc/81/25/72/1034812572.db2.gz IKHIRQSZNNEZGY-UHFFFAOYSA-N 1 0 399.542 3.929 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(C[C@H](NC(=O)NC)c4cc(C)ccc43)CC2)c1 ZINC001231657816 1034814675 /nfs/dbraw/zinc/81/46/75/1034814675.db2.gz UZXUQVKKFSVYGX-QHCPKHFHSA-N 1 0 387.527 3.884 20 30 GHEDRO C#Cc1cccc(C[N@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)c1 ZINC001231657402 1034815116 /nfs/dbraw/zinc/81/51/16/1034815116.db2.gz PAQKCQDSFIHISB-QFIPXVFZSA-N 1 0 392.474 3.674 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC)c2ccccc2O3)c1 ZINC001231658923 1034816884 /nfs/dbraw/zinc/81/68/84/1034816884.db2.gz BGQLMEVWXNMRJQ-NRFANRHFSA-N 1 0 388.511 3.705 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)c1 ZINC001231659882 1034816940 /nfs/dbraw/zinc/81/69/40/1034816940.db2.gz VWIZRELDFHLLQN-FYYLOGMGSA-N 1 0 380.463 3.652 20 30 GHEDRO N#CC1(Nc2nnc(Cl)c3c2CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001160100541 1034860499 /nfs/dbraw/zinc/86/04/99/1034860499.db2.gz HMBXLSWFNOLXCH-UHFFFAOYSA-N 1 0 381.911 3.979 20 30 GHEDRO CCOc1ccc2ncnc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC001160100992 1034860728 /nfs/dbraw/zinc/86/07/28/1034860728.db2.gz ZAYBIXMHZSEHID-UHFFFAOYSA-N 1 0 387.487 3.999 20 30 GHEDRO Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc(-c2cccs2)n1 ZINC001160107415 1034863583 /nfs/dbraw/zinc/86/35/83/1034863583.db2.gz ODSUABWEMIAUKY-UHFFFAOYSA-N 1 0 389.528 3.906 20 30 GHEDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC001208341436 1034864235 /nfs/dbraw/zinc/86/42/35/1034864235.db2.gz NYVBMPCRQOGNKM-SFHVURJKSA-N 1 0 397.544 3.720 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cnc(-c4ccccc4)nc3C)C2)CC1 ZINC001231796136 1034913981 /nfs/dbraw/zinc/91/39/81/1034913981.db2.gz KYEBVCKVJSWKMY-UHFFFAOYSA-N 1 0 392.503 3.672 20 30 GHEDRO COc1cccc(C(=O)C(F)(F)F)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001160250556 1034918096 /nfs/dbraw/zinc/91/80/96/1034918096.db2.gz UJMCONSBPBQRGO-UHFFFAOYSA-N 1 0 375.350 3.742 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001231815897 1034925799 /nfs/dbraw/zinc/92/57/99/1034925799.db2.gz DKPWYFDJZZPSGO-IHPCNDPISA-N 1 0 384.524 3.524 20 30 GHEDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC001231820594 1034927914 /nfs/dbraw/zinc/92/79/14/1034927914.db2.gz HAXIBVFDDWSTEB-LJQANCHMSA-N 1 0 379.504 3.990 20 30 GHEDRO CO[C@H](C[NH+]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1)c1ccccc1 ZINC001231820604 1034927932 /nfs/dbraw/zinc/92/79/32/1034927932.db2.gz HEUOTWNPHLNWNJ-XMMPIXPASA-N 1 0 392.547 3.542 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC001160373869 1034960059 /nfs/dbraw/zinc/96/00/59/1034960059.db2.gz CGLFVOQXCBGOET-HZPDHXFCSA-N 1 0 383.458 3.639 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)cc(C#N)cc1C)c1cccc(OC)c1 ZINC001160458858 1034980974 /nfs/dbraw/zinc/98/09/74/1034980974.db2.gz RKDSFYNNOHNTLF-NRFANRHFSA-N 1 0 379.504 3.997 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@H+](CCOCCOCc2ccccc2)C1 ZINC001208750426 1034997663 /nfs/dbraw/zinc/99/76/63/1034997663.db2.gz LXKJGSNPFDYXGM-QFIPXVFZSA-N 1 0 380.488 3.635 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)cc1Cl ZINC001277596859 1035028994 /nfs/dbraw/zinc/02/89/94/1035028994.db2.gz OQUZLHUDSRSJOE-HZPDHXFCSA-N 1 0 385.817 3.729 20 30 GHEDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001160665485 1035029169 /nfs/dbraw/zinc/02/91/69/1035029169.db2.gz LRINUKMWRUDRQA-YLJYHZDGSA-N 1 0 389.478 3.873 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001208819999 1035039412 /nfs/dbraw/zinc/03/94/12/1035039412.db2.gz KAJVDDXCYNPNEC-FQEVSTJZSA-N 1 0 383.536 3.699 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001160749647 1035055074 /nfs/dbraw/zinc/05/50/74/1035055074.db2.gz CVLVWKVVUGBDBE-NRFANRHFSA-N 1 0 379.504 3.798 20 30 GHEDRO CCOCc1nn(CC2CC2)c2c1C[N@H+](CCCc1cccc(C#N)c1)CC2 ZINC001208851641 1035057797 /nfs/dbraw/zinc/05/77/97/1035057797.db2.gz HXNGXOFMBUORDW-UHFFFAOYSA-N 1 0 378.520 3.692 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001208851379 1035058701 /nfs/dbraw/zinc/05/87/01/1035058701.db2.gz FNUYKWPECZZABA-DEOSSOPVSA-N 1 0 391.490 3.755 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c1 ZINC001208852603 1035059705 /nfs/dbraw/zinc/05/97/05/1035059705.db2.gz NPBDXUJNQZPLHF-JAXLGGSGSA-N 1 0 397.544 3.644 20 30 GHEDRO COc1cccc2c1c(C[NH3+])cn2-c1ccc([C@H](C#N)c2ccc(C)cc2)nn1 ZINC001160759185 1035060195 /nfs/dbraw/zinc/06/01/95/1035060195.db2.gz DWSBBYDGXJFYOJ-GOSISDBHSA-N 1 0 383.455 3.852 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CCCc3ccc(C#N)cc3)C[C@@H]12 ZINC001208862147 1035064800 /nfs/dbraw/zinc/06/48/00/1035064800.db2.gz UNJPKXDRMQLZPP-RPBOFIJWSA-N 1 0 387.527 3.755 20 30 GHEDRO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CCCc2ccc(C#N)cc2)cs1 ZINC001208861461 1035065003 /nfs/dbraw/zinc/06/50/03/1035065003.db2.gz KWVAXKKDIPEBMT-BHDDXSALSA-N 1 0 397.544 3.704 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001160785529 1035067018 /nfs/dbraw/zinc/06/70/18/1035067018.db2.gz RZGHSYDUIKHALF-VWNXMTODSA-N 1 0 388.587 3.529 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](CCc2ccc(C#N)cc2)CC3)cs1 ZINC001208927010 1035091934 /nfs/dbraw/zinc/09/19/34/1035091934.db2.gz NXKMCPPKQBFNGT-OAQYLSRUSA-N 1 0 397.544 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925615 1035092004 /nfs/dbraw/zinc/09/20/04/1035092004.db2.gz JSFCCQGAUCXEJF-SIKLNZKXSA-N 1 0 387.499 3.772 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](CCc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001208927064 1035092163 /nfs/dbraw/zinc/09/21/63/1035092163.db2.gz OGIYZJFSPDNULN-UHFFFAOYSA-N 1 0 389.543 3.776 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)cc1Cl ZINC001232117775 1035105481 /nfs/dbraw/zinc/10/54/81/1035105481.db2.gz DQOFAYRITBMITN-UHFFFAOYSA-N 1 0 385.817 3.588 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]12 ZINC001232118162 1035105592 /nfs/dbraw/zinc/10/55/92/1035105592.db2.gz JZLFAYVICOPQHM-SOLBZPMBSA-N 1 0 375.900 3.947 20 30 GHEDRO Cc1ccc(/C=C2\CN(C(=O)[C@@H](C)C[NH3+])C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC001160959255 1035105988 /nfs/dbraw/zinc/10/59/88/1035105988.db2.gz QNFCFMNQCQCNGP-HMRZODENSA-N 1 0 388.511 3.777 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1c(F)cncc1Br)C2 ZINC001232127543 1035111467 /nfs/dbraw/zinc/11/14/67/1035111467.db2.gz RKFJNKTWDRXANP-ROUUACIJSA-N 1 0 399.304 3.557 20 30 GHEDRO C#CC[C@]1(C(=O)N(C)[C@H](C)[C@@H](Oc2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC001160998236 1035116216 /nfs/dbraw/zinc/11/62/16/1035116216.db2.gz RGWCZIIHCFFMMZ-ZFJSRUIDSA-N 1 0 376.500 3.799 20 30 GHEDRO C#CC[C@]1(C(=O)N(C)[C@@H](C)[C@@H](Oc2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC001160998230 1035116411 /nfs/dbraw/zinc/11/64/11/1035116411.db2.gz RGWCZIIHCFFMMZ-BPUDTRNYSA-N 1 0 376.500 3.799 20 30 GHEDRO N#Cc1nc(NCC2CC[NH+](Cc3ccccn3)CC2)c(Cl)cc1Cl ZINC001161244328 1035190504 /nfs/dbraw/zinc/19/05/04/1035190504.db2.gz DEVXJUTWCIYPQR-UHFFFAOYSA-N 1 0 376.291 3.979 20 30 GHEDRO C=CCN(C(=O)[C@H](c1cc2ccccc2[nH]1)N1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC001161247779 1035192031 /nfs/dbraw/zinc/19/20/31/1035192031.db2.gz JZFKRERIUVVMSL-CVDCTZTESA-N 1 0 394.563 3.979 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414320 1035226282 /nfs/dbraw/zinc/22/62/82/1035226282.db2.gz UXWSQQSCBIXCDO-SLFFLAALSA-N 1 0 379.589 3.561 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001161468304 1035237250 /nfs/dbraw/zinc/23/72/50/1035237250.db2.gz KOLWVYFYNYQCDN-HKBOAZHASA-N 1 0 395.453 3.513 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)c1ccc(Cl)cc1 ZINC001209329990 1035243072 /nfs/dbraw/zinc/24/30/72/1035243072.db2.gz MVBLMBUPINTFBT-HUUCEWRRSA-N 1 0 390.837 3.867 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H](CC#N)C(F)(F)F)C1 ZINC001209329996 1035243832 /nfs/dbraw/zinc/24/38/32/1035243832.db2.gz MWMTYYMTIRDJPN-YOEHRIQHSA-N 1 0 382.430 3.562 20 30 GHEDRO C[C@H](c1ccccc1)N(C(=O)[C@H]([NH3+])Cc1ccccc1F)C1=CC(=O)CCC1 ZINC001161509075 1035245260 /nfs/dbraw/zinc/24/52/60/1035245260.db2.gz LDAXYXYJRDWHHZ-OPAMFIHVSA-N 1 0 380.463 3.922 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)CC2 ZINC001209369902 1035257196 /nfs/dbraw/zinc/25/71/96/1035257196.db2.gz FZISOTIARFQWPP-JOCHJYFZSA-N 1 0 393.572 3.715 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC([NH3+])(CC4CCC4)CC3)nn2)cc1 ZINC001161569973 1035260689 /nfs/dbraw/zinc/26/06/89/1035260689.db2.gz RZVRKMYWVSBXME-FQEVSTJZSA-N 1 0 375.520 3.928 20 30 GHEDRO COc1ccnc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)c1C#N ZINC001161578155 1035263708 /nfs/dbraw/zinc/26/37/08/1035263708.db2.gz XOLUELNGQWTSQQ-UHFFFAOYSA-N 1 0 390.409 3.714 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)c(C#N)c1 ZINC001248155448 1035581522 /nfs/dbraw/zinc/58/15/22/1035581522.db2.gz PPUJPSYIMLBLPV-LJQANCHMSA-N 1 0 385.471 3.890 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cccc4nccc(Cl)c43)no2)cc1 ZINC001248158054 1035583828 /nfs/dbraw/zinc/58/38/28/1035583828.db2.gz RUEFZBREKFDDGG-OAHLLOKOSA-N 1 0 389.846 3.922 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)c(C#N)c1 ZINC001248181068 1035609458 /nfs/dbraw/zinc/60/94/58/1035609458.db2.gz OOGOIWDPGYRBRV-IBGZPJMESA-N 1 0 385.471 3.890 20 30 GHEDRO CC(C)(C)OC[C@H]([NH3+])Cc1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC001248222088 1035655036 /nfs/dbraw/zinc/65/50/36/1035655036.db2.gz RZMPPMMNEBHUFU-LJQANCHMSA-N 1 0 376.460 3.960 20 30 GHEDRO C#Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](CO)C3)ccc2NC(=O)C(C)(C)C)cc1 ZINC001242293768 1035876575 /nfs/dbraw/zinc/87/65/75/1035876575.db2.gz OHEKATAUCGOMOP-SFHVURJKSA-N 1 0 391.515 3.529 20 30 GHEDRO CCc1cc(C#N)ccc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001248750660 1036108211 /nfs/dbraw/zinc/10/82/11/1036108211.db2.gz REBCGBGETVEVAL-JTHBVZDNSA-N 1 0 379.479 3.597 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC(Sc4ccccc4)C3)C2=O)cc1 ZINC001462084461 1069986401 /nfs/dbraw/zinc/98/64/01/1069986401.db2.gz FVLSDWCJCCBWCE-JITJBCMDSA-N 1 0 377.513 3.967 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1ccc(C#C[Si](C)(C)C)cn1 ZINC001244154953 1036397725 /nfs/dbraw/zinc/39/77/25/1036397725.db2.gz CRWRQWUOLPXUGF-UHFFFAOYSA-N 1 0 379.580 3.738 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1nc(-c2cccs2)ccc1C#N ZINC001244284637 1036460347 /nfs/dbraw/zinc/46/03/47/1036460347.db2.gz GDGZHLQNHTYPOI-UHFFFAOYSA-N 1 0 376.485 3.767 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@@H](O)CN[C@]1(C#N)CC[NH2+]C1 ZINC001245983019 1037108260 /nfs/dbraw/zinc/10/82/60/1037108260.db2.gz QROKZBJOBWQANM-VXKWHMMOSA-N 1 0 381.605 3.910 20 30 GHEDRO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)CC[C@@H]2C1 ZINC001278435733 1037235473 /nfs/dbraw/zinc/23/54/73/1037235473.db2.gz WXFVMRSPPYWDMJ-HDICACEKSA-N 1 0 380.964 3.677 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246274074 1037271169 /nfs/dbraw/zinc/27/11/69/1037271169.db2.gz REHLXAGCBPFTNN-YFXJRYMSSA-N 1 0 391.515 3.538 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCN[C@@H](c3ccccc3)C1)CC2 ZINC001246527184 1037462075 /nfs/dbraw/zinc/46/20/75/1037462075.db2.gz SQEKXBAQRPWCSX-FCHUYYIVSA-N 1 0 397.563 3.980 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCN[C@@H](c4ccccc4)C3)C2)CC1 ZINC001246527788 1037462139 /nfs/dbraw/zinc/46/21/39/1037462139.db2.gz WQEZOBIXJTXNKX-FGZHOGPDSA-N 1 0 397.563 3.980 20 30 GHEDRO CCCCCCCCNC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001247172105 1037964405 /nfs/dbraw/zinc/96/44/05/1037964405.db2.gz VCROGULZTDTDRB-UHFFFAOYSA-N 1 0 376.614 3.763 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232268812 1037992338 /nfs/dbraw/zinc/99/23/38/1037992338.db2.gz VJBOMSDVIJTRQR-VQTJNVASSA-N 1 0 381.900 3.628 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)c(C)s3)C2)C1=O ZINC001232290551 1038024821 /nfs/dbraw/zinc/02/48/21/1038024821.db2.gz ASUZYCWYNMVYQU-KRWDZBQOSA-N 1 0 383.355 3.820 20 30 GHEDRO C=CCOc1ccc(-c2noc([C@@H](c3ccco3)N3CCC[C@@H]([NH3+])C3)n2)c(F)c1 ZINC001247325816 1038120636 /nfs/dbraw/zinc/12/06/36/1038120636.db2.gz CJESBQVPVGQAEK-AUUYWEPGSA-N 1 0 398.438 3.546 20 30 GHEDRO COc1ccc([C@H](C[N@H+](C)Cc2cc(C#N)ccn2)C2(O)CCCCC2)cc1 ZINC001232479934 1038260528 /nfs/dbraw/zinc/26/05/28/1038260528.db2.gz BRLDSCBCKQZKDL-QFIPXVFZSA-N 1 0 379.504 3.873 20 30 GHEDRO CCCCCCCc1ccc(-c2noc([C@@H]3CNC(=O)C34CC[NH2+]CC4)n2)cc1 ZINC001247658074 1038297511 /nfs/dbraw/zinc/29/75/11/1038297511.db2.gz NMWYENVUTUEYKB-IBGZPJMESA-N 1 0 396.535 3.833 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cnc(C)c3)c(OC)c1)C2 ZINC001232561175 1038329992 /nfs/dbraw/zinc/32/99/92/1038329992.db2.gz DDODLTFGQKJAOK-OFNKIYASSA-N 1 0 397.519 3.515 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+](Cc3cc(OCc4ccccc4)ccn3)C2)C1=O ZINC001232587262 1038358570 /nfs/dbraw/zinc/35/85/70/1038358570.db2.gz MLAZDSOOLGNUGS-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO C[C@@H]1[NH2+]CCOC[C@H]1Cc1nc(-c2ccc(Oc3ccc(C#N)cc3)cc2)no1 ZINC001247889914 1038458849 /nfs/dbraw/zinc/45/88/49/1038458849.db2.gz ZGCGBZCEFXVYEW-MAUKXSAKSA-N 1 0 390.443 3.568 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3CO[C@@]4(C3)CCC[NH2+]CC4)n2)cc1Cl ZINC001247924669 1038500590 /nfs/dbraw/zinc/50/05/90/1038500590.db2.gz IIYSLKYUPVIHGH-SGTLLEGYSA-N 1 0 393.274 3.931 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C#N)s3)CC2)Oc2ccccc21 ZINC001232843542 1038594615 /nfs/dbraw/zinc/59/46/15/1038594615.db2.gz PIPSUBTUFIMOSB-MRXNPFEDSA-N 1 0 395.528 3.657 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]2CF)CC1 ZINC001232890182 1038675439 /nfs/dbraw/zinc/67/54/39/1038675439.db2.gz YUHIBUBOCHUNFQ-WMZOPIPTSA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232890932 1038677120 /nfs/dbraw/zinc/67/71/20/1038677120.db2.gz CQDAYLREHSSAKY-UPVQGACJSA-N 1 0 397.538 3.658 20 30 GHEDRO N#Cc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ccc1Br ZINC001232895035 1038686434 /nfs/dbraw/zinc/68/64/34/1038686434.db2.gz ATFRLHWNTQHAFP-UXHICEINSA-N 1 0 397.320 3.565 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001277735486 1038713915 /nfs/dbraw/zinc/71/39/15/1038713915.db2.gz UNIRXWSJHJZXDK-WMZOPIPTSA-N 1 0 378.479 3.585 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001277735481 1038713963 /nfs/dbraw/zinc/71/39/63/1038713963.db2.gz UNIRXWSJHJZXDK-FUHWJXTLSA-N 1 0 378.479 3.585 20 30 GHEDRO Cc1ncc(F)cc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001232989920 1038753606 /nfs/dbraw/zinc/75/36/06/1038753606.db2.gz ZIEWBQXRUXVEBN-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096431 1038868824 /nfs/dbraw/zinc/86/88/24/1038868824.db2.gz GBRATYQQWJUQEJ-OAHLLOKOSA-N 1 0 390.503 3.595 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001252125139 1038871265 /nfs/dbraw/zinc/87/12/65/1038871265.db2.gz AXABVFPXFVLCDZ-DHIUTWEWSA-N 1 0 389.584 3.864 20 30 GHEDRO CCCCCCCC[C@@H](O)CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001252125887 1038871763 /nfs/dbraw/zinc/87/17/63/1038871763.db2.gz IUALRLUHVCOMQO-RYFAJOAYSA-N 1 0 376.541 3.804 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C(=O)OCC)Cn2nccc2[C@@H]1C ZINC001252132189 1038886338 /nfs/dbraw/zinc/88/63/38/1038886338.db2.gz BPEKCAGSFRZWFO-OTWHNJEPSA-N 1 0 379.545 3.551 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1Cn2nnc(-c3ccccc3)c2CO1 ZINC001252135510 1038887719 /nfs/dbraw/zinc/88/77/19/1038887719.db2.gz DNXFEOBUKLWBFE-UXHICEINSA-N 1 0 386.540 3.545 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001252139247 1038888924 /nfs/dbraw/zinc/88/89/24/1038888924.db2.gz IJUHSDSLAAFWMQ-JOCHJYFZSA-N 1 0 385.552 3.864 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CCOCCOCCOCc1ccccc1 ZINC001252140484 1038890026 /nfs/dbraw/zinc/89/00/26/1038890026.db2.gz ARZPZUPBOCAOLU-HSZRJFAPSA-N 1 0 395.584 3.938 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)cc(C)c3Cl)C2)C1=O ZINC001277774713 1038956443 /nfs/dbraw/zinc/95/64/43/1038956443.db2.gz IWUBSJCOQLZDOJ-HXUWFJFHSA-N 1 0 378.875 3.705 20 30 GHEDRO N#Cc1ccc2[nH]cc(CC[NH2+]C[C@H](O)COc3cccc4ccccc43)c2c1 ZINC001252397270 1038979270 /nfs/dbraw/zinc/97/92/70/1038979270.db2.gz AXQMGRYMDHSPSR-FQEVSTJZSA-N 1 0 385.467 3.765 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(O)c(OCC3CC3)c1)C2 ZINC001233226112 1038986366 /nfs/dbraw/zinc/98/63/66/1038986366.db2.gz VBINUTFBLYBQLS-QHCPKHFHSA-N 1 0 384.520 3.714 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC(c2nc3ccc(-c4cccc(OC)c4)cn3n2)CC1 ZINC001252546853 1039028053 /nfs/dbraw/zinc/02/80/53/1039028053.db2.gz BRJQYCXWATVHED-QHCPKHFHSA-N 1 0 392.503 3.521 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC2(CN(C(=O)c3ccco3)c3ccc(C)cc32)CC1 ZINC001252549710 1039029903 /nfs/dbraw/zinc/02/99/03/1039029903.db2.gz HHQIMYGNSBMWQK-QFIPXVFZSA-N 1 0 380.488 3.519 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001252599225 1039043090 /nfs/dbraw/zinc/04/30/90/1039043090.db2.gz YVUQXHQVDIVNIV-CTNGQTDRSA-N 1 0 396.575 3.893 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H](O)COC[C@@H](CC)CCCC)CC2 ZINC001253001547 1039328839 /nfs/dbraw/zinc/32/88/39/1039328839.db2.gz VCSDJNLJUYHXDA-FUDKSRODSA-N 1 0 394.600 3.613 20 30 GHEDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H](CC#N)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001233529111 1039416603 /nfs/dbraw/zinc/41/66/03/1039416603.db2.gz RRKCVJJXOFRNNA-CQSZACIVSA-N 1 0 379.437 3.558 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001253236251 1039491029 /nfs/dbraw/zinc/49/10/29/1039491029.db2.gz BZGAADFBKNVIMW-UPVQGACJSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC001253236798 1039493056 /nfs/dbraw/zinc/49/30/56/1039493056.db2.gz TZLQZVBRGHDBIL-PZJWPPBQSA-N 1 0 375.557 3.646 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H]2[C@H]1OCCN2C(=O)OC(C)(C)C ZINC001253248425 1039503004 /nfs/dbraw/zinc/50/30/04/1039503004.db2.gz VERVIWQACHMGFE-MUGJNUQGSA-N 1 0 396.572 3.630 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(F)c(Br)cc1Br ZINC001233672966 1039525801 /nfs/dbraw/zinc/52/58/01/1039525801.db2.gz ZECCDQWTGYXQQN-SECBINFHSA-N 1 0 395.090 3.718 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC001253565623 1039706678 /nfs/dbraw/zinc/70/66/78/1039706678.db2.gz QUWVKKFBRZWFCJ-JOCHJYFZSA-N 1 0 397.648 3.801 20 30 GHEDRO C=C[C@@H](O)C[NH+]1CCC(c2cc3cc(OC)cc(Br)c3o2)CC1 ZINC001253586910 1039711973 /nfs/dbraw/zinc/71/19/73/1039711973.db2.gz UWABFDDHTHNZPE-CQSZACIVSA-N 1 0 380.282 3.930 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1ncc[nH]1 ZINC001253614083 1039723379 /nfs/dbraw/zinc/72/33/79/1039723379.db2.gz IVCLQJCBEKOHBE-HXUWFJFHSA-N 1 0 383.577 3.814 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1O ZINC001253614636 1039724693 /nfs/dbraw/zinc/72/46/93/1039724693.db2.gz RZQNZCHNWKQGLU-VSKRKVRLSA-N 1 0 387.605 3.804 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H]1C[C@H](O)C1 ZINC001253615075 1039724768 /nfs/dbraw/zinc/72/47/68/1039724768.db2.gz ZWCMUANILRKPHQ-YPAWHYETSA-N 1 0 387.605 3.662 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)ccc1-n1ccnc1 ZINC001234075590 1039814509 /nfs/dbraw/zinc/81/45/09/1039814509.db2.gz LLJQWFPXRIERQV-HXUWFJFHSA-N 1 0 388.471 3.796 20 30 GHEDRO C#C[C@H](C)Oc1cc2c(cc1OC)CC[N@+]1(C)Cc3cc(OC)c(O)cc3C[C@@H]21 ZINC001234128574 1039870678 /nfs/dbraw/zinc/87/06/78/1039870678.db2.gz CQYMFDUDMSPTNZ-PCKXHRCSSA-O 1 0 394.491 3.610 20 30 GHEDRO COc1cc(/C=C/C(C)=O)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001234339454 1039975218 /nfs/dbraw/zinc/97/52/18/1039975218.db2.gz PBMCBZQJSPBTOJ-CZQLGGELSA-N 1 0 395.499 3.967 20 30 GHEDRO N#Cc1cccc2nc(=O)[nH]c(O[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c12 ZINC001234513735 1040091539 /nfs/dbraw/zinc/09/15/39/1040091539.db2.gz PDPWZQWUXKYEFL-BWTSREIZSA-N 1 0 386.455 3.781 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254346600 1040180583 /nfs/dbraw/zinc/18/05/83/1040180583.db2.gz RPKDWIXBQZQITB-RGKVJVKCSA-N 1 0 399.510 3.985 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(N(c2ncccn2)[C@H]2CCC[NH2+]C2)CC1 ZINC001254355613 1040188241 /nfs/dbraw/zinc/18/82/41/1040188241.db2.gz IHHXYJAFGAHNQQ-FUHYEJFZSA-N 1 0 379.483 3.578 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[N@@H+](C(C)C)C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234775169 1040305049 /nfs/dbraw/zinc/30/50/49/1040305049.db2.gz RLXZXAQRDSBGJO-AIADIJKESA-N 1 0 397.471 3.864 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560803 1040333465 /nfs/dbraw/zinc/33/34/65/1040333465.db2.gz YOBQVRHGTQAAII-INIZCTEOSA-N 1 0 395.459 3.949 20 30 GHEDRO C#C[C@@H](C)Oc1cc(OC)cc2c1-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC001234815917 1040345956 /nfs/dbraw/zinc/34/59/56/1040345956.db2.gz BVRPRMLMAFNULK-KDOFPFPSSA-O 1 0 394.491 3.707 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)C2 ZINC001254625517 1040400241 /nfs/dbraw/zinc/40/02/41/1040400241.db2.gz HSQFYYKFXKJKFR-PKTZIBPZSA-N 1 0 388.527 3.868 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC001254650952 1040418575 /nfs/dbraw/zinc/41/85/75/1040418575.db2.gz ZKINPAUDUVFCQX-MJGOQNOKSA-N 1 0 384.524 3.526 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OC2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254660583 1040422816 /nfs/dbraw/zinc/42/28/16/1040422816.db2.gz YSTOVQMBADFZIK-SJORKVTESA-N 1 0 377.529 3.559 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3Br)CC2)C1 ZINC001254656586 1040423191 /nfs/dbraw/zinc/42/31/91/1040423191.db2.gz JZVNEAYPZLDLBV-YHUYYLMFSA-N 1 0 390.325 3.772 20 30 GHEDRO N#C[C@H]1CC[C@H]([N@H+]2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC001254662319 1040425013 /nfs/dbraw/zinc/42/50/13/1040425013.db2.gz FHZSFHFWRUNYJR-ICSRJNTNSA-N 1 0 389.499 3.961 20 30 GHEDRO COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+]([C@H]3CC[C@H](C#N)C3)CC1)C2 ZINC001254669908 1040428968 /nfs/dbraw/zinc/42/89/68/1040428968.db2.gz WUCCRXQGJZTUEI-UHOSZYNNSA-N 1 0 382.504 3.853 20 30 GHEDRO C=CCOc1ccccc1CN1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001235019865 1040510775 /nfs/dbraw/zinc/51/07/75/1040510775.db2.gz PMPKNYDKHNAYMY-UHFFFAOYSA-N 1 0 378.516 3.897 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC001235116483 1040607813 /nfs/dbraw/zinc/60/78/13/1040607813.db2.gz FHNCHBRMZMVXEL-WBAXXEDZSA-N 1 0 381.442 3.799 20 30 GHEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2Br)CC1 ZINC001255162549 1040881209 /nfs/dbraw/zinc/88/12/09/1040881209.db2.gz SJKBEKLVCMWHMW-KKUMJFAQSA-N 1 0 378.314 3.772 20 30 GHEDRO CC[C@H](CC#N)[NH2+]CC1(Cc2ccccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255162787 1040881343 /nfs/dbraw/zinc/88/13/43/1040881343.db2.gz YYFNWZXYYJNCCD-GOSISDBHSA-N 1 0 386.540 3.923 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001255215391 1040910090 /nfs/dbraw/zinc/91/00/90/1040910090.db2.gz WRJUAZMQALVYTG-YRPNKDGESA-N 1 0 383.492 3.553 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCC[C@H](C(=O)OCC)C1)[C@H]2CC ZINC001255360619 1040961618 /nfs/dbraw/zinc/96/16/18/1040961618.db2.gz CWNDUMLCULZCFW-OZIGNCPNSA-N 1 0 376.541 3.530 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001235512718 1040969279 /nfs/dbraw/zinc/96/92/79/1040969279.db2.gz COOKPYIXNQQTLX-JOCHJYFZSA-N 1 0 379.529 3.942 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001235513314 1040969412 /nfs/dbraw/zinc/96/94/12/1040969412.db2.gz BHKWUTYGYPWUQE-UHFFFAOYSA-N 1 0 393.506 3.759 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001235517144 1040972554 /nfs/dbraw/zinc/97/25/54/1040972554.db2.gz JLKUWDXTIFQPID-ZEQRLZLVSA-N 1 0 391.515 3.736 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255405815 1040992956 /nfs/dbraw/zinc/99/29/56/1040992956.db2.gz YNZGQXWVRWEQLX-GGAORHGYSA-N 1 0 394.563 3.577 20 30 GHEDRO C=CC[NH2+]CCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC001235713973 1041197271 /nfs/dbraw/zinc/19/72/71/1041197271.db2.gz IQVIKZMSDTVOMA-UHFFFAOYSA-N 1 0 378.545 3.623 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001255919139 1041407519 /nfs/dbraw/zinc/40/75/19/1041407519.db2.gz INCWKUFUUFFWGZ-ICSRJNTNSA-N 1 0 385.508 3.801 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)Cc4ccsc4)C3)C2)s1 ZINC001278924360 1041678771 /nfs/dbraw/zinc/67/87/71/1041678771.db2.gz YNEGPERMCLEFRR-FQEVSTJZSA-N 1 0 385.558 3.738 20 30 GHEDRO CN(Cc1cc(Oc2ccc(C#N)cc2)ccc1Br)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236416415 1041706389 /nfs/dbraw/zinc/70/63/89/1041706389.db2.gz VINIIVZCDODZRR-RUYXUALKSA-N 1 0 398.304 3.763 20 30 GHEDRO C=CCN(CCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)C(=O)OCC ZINC001236453605 1041718591 /nfs/dbraw/zinc/71/85/91/1041718591.db2.gz UBTNVQQILYXENB-UHFFFAOYSA-N 1 0 379.932 3.539 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C2 ZINC001256479083 1041753224 /nfs/dbraw/zinc/75/32/24/1041753224.db2.gz SZLOAAPVYYYXPM-NXWNEQKCSA-N 1 0 394.556 3.601 20 30 GHEDRO COC(=O)c1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC001236767240 1041879980 /nfs/dbraw/zinc/87/99/80/1041879980.db2.gz BYKHGMJGIKESAZ-UHFFFAOYSA-N 1 0 378.472 3.808 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001236807101 1041907959 /nfs/dbraw/zinc/90/79/59/1041907959.db2.gz BXNCOVUUHRGDPP-UHFFFAOYSA-N 1 0 397.519 3.577 20 30 GHEDRO N#Cc1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1Br ZINC001236863151 1041933023 /nfs/dbraw/zinc/93/30/23/1041933023.db2.gz FYQSJTHIBNXQFD-OALUTQOASA-N 1 0 382.305 3.779 20 30 GHEDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)c(Br)c1 ZINC001236866843 1041935129 /nfs/dbraw/zinc/93/51/29/1041935129.db2.gz USNLZHLQHRIZRA-UHFFFAOYSA-N 1 0 382.302 3.667 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237050304 1042009792 /nfs/dbraw/zinc/00/97/92/1042009792.db2.gz ACNYTPDEFOZUSK-UHFFFAOYSA-N 1 0 391.393 3.527 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001462593467 1070399254 /nfs/dbraw/zinc/39/92/54/1070399254.db2.gz JCCVPMMDWDKLNI-FQEVSTJZSA-N 1 0 392.503 3.692 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(Cl)[nH]c3cnccc31)C2 ZINC001237456139 1042215577 /nfs/dbraw/zinc/21/55/77/1042215577.db2.gz ZFFMBLNKRZEOJP-QUCCMNQESA-N 1 0 375.900 3.790 20 30 GHEDRO Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237465226 1042218886 /nfs/dbraw/zinc/21/88/86/1042218886.db2.gz HSDCRSXBBAIPAG-HDICACEKSA-N 1 0 376.529 3.675 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237469760 1042221984 /nfs/dbraw/zinc/22/19/84/1042221984.db2.gz YHAVVKDGRVFRMO-QFIPXVFZSA-N 1 0 380.492 3.635 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c2cc(C#N)ccc21 ZINC001237472436 1042223531 /nfs/dbraw/zinc/22/35/31/1042223531.db2.gz HXKSVQQHUAMBKU-HXUWFJFHSA-N 1 0 390.462 3.583 20 30 GHEDRO CN(C[C@@H]1CCCN(Cc2cc(C#N)c(F)cc2F)C1)C(=O)OC(C)(C)C ZINC001237524493 1042249839 /nfs/dbraw/zinc/24/98/39/1042249839.db2.gz JBFKDRWPPOKFLX-AWEZNQCLSA-N 1 0 379.451 3.915 20 30 GHEDRO N#Cc1cc(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(F)cc1F ZINC001237526405 1042251368 /nfs/dbraw/zinc/25/13/68/1042251368.db2.gz PAFCECROCMBYHF-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3cc(C#N)c(F)cc3F)C2)C1 ZINC001237528068 1042252675 /nfs/dbraw/zinc/25/26/75/1042252675.db2.gz PYTVHSBYRKLTLX-CYBMUJFWSA-N 1 0 377.435 3.525 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc(CC)s3)C[C@@H]2c2ccccc2)C1=O ZINC001237823996 1042387647 /nfs/dbraw/zinc/38/76/47/1042387647.db2.gz MAQZPHOXVBKASM-KNQAVFIVSA-N 1 0 381.545 3.710 20 30 GHEDRO COc1cc(CN2CCC(C)(C#N)CC2)c(Br)c(OC)c1OC ZINC001237954058 1042436221 /nfs/dbraw/zinc/43/62/21/1042436221.db2.gz RBKGTYFRKYNIGD-UHFFFAOYSA-N 1 0 383.286 3.601 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3[nH]nc4cc(Cl)ccc43)C2)C1 ZINC001237994751 1042448576 /nfs/dbraw/zinc/44/85/76/1042448576.db2.gz ZBODDTMDOXVJSQ-HXUWFJFHSA-N 1 0 388.899 3.827 20 30 GHEDRO CC[C@H]1[N@H+](Cc2ccc(C#N)cc2Cl)CCC[C@]12CCC(=O)N2CCOC ZINC001238082342 1042485627 /nfs/dbraw/zinc/48/56/27/1042485627.db2.gz IWTIPRWWLJXAOU-CTNGQTDRSA-N 1 0 389.927 3.594 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(Cl)c(C#N)c3)C[C@@H]12 ZINC001238191356 1042514911 /nfs/dbraw/zinc/51/49/11/1042514911.db2.gz RSKQGGZTGXVLMF-DHIUTWEWSA-N 1 0 393.918 3.976 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)ccc1Cl ZINC001238192661 1042515372 /nfs/dbraw/zinc/51/53/72/1042515372.db2.gz UTLACSOYHRKGFI-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3cc(Cl)c(Cl)cc3C)CC2)C1=O ZINC001238253558 1042533510 /nfs/dbraw/zinc/53/35/10/1042533510.db2.gz BKKIIRPRRBIWQC-UHFFFAOYSA-N 1 0 396.362 3.596 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001238273560 1042538086 /nfs/dbraw/zinc/53/80/86/1042538086.db2.gz YANAKBXJBSBUDQ-LJQANCHMSA-N 1 0 388.618 3.738 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NCc1noc2c1C[NH2+]CC2 ZINC001238288426 1042542703 /nfs/dbraw/zinc/54/27/03/1042542703.db2.gz HTECRVMCDARZHD-UHFFFAOYSA-N 1 0 385.574 3.661 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)ccc1C#N ZINC001238406558 1042586028 /nfs/dbraw/zinc/58/60/28/1042586028.db2.gz QAQYKCOMFGIXTJ-QFIPXVFZSA-N 1 0 395.528 3.757 20 30 GHEDRO COc1ccc(-c2ccncc2)c(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1 ZINC001238649975 1042669875 /nfs/dbraw/zinc/66/98/75/1042669875.db2.gz GYZFWEDGYRTFHZ-UHFFFAOYSA-N 1 0 399.498 3.736 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001239016392 1042759461 /nfs/dbraw/zinc/75/94/61/1042759461.db2.gz PZEKZISUEXSBDV-HNNXBMFYSA-N 1 0 384.508 3.683 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)N(C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Cl)c1 ZINC001239155441 1042774880 /nfs/dbraw/zinc/77/48/80/1042774880.db2.gz DEQKKRDBMQGEHF-JCNLHEQBSA-N 1 0 395.956 3.805 20 30 GHEDRO CC(C)(C)c1ccc(NC(=O)Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239189684 1042782825 /nfs/dbraw/zinc/78/28/25/1042782825.db2.gz DYJQXELWMZCOCD-UHFFFAOYSA-N 1 0 377.492 3.909 20 30 GHEDRO O=C(NC[C@@]1(F)CCC[NH2+]C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239216509 1042788091 /nfs/dbraw/zinc/78/80/91/1042788091.db2.gz NZMPVSLBOWYIMN-CYBMUJFWSA-N 1 0 387.299 3.937 20 30 GHEDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239228500 1042790979 /nfs/dbraw/zinc/79/09/79/1042790979.db2.gz XZUGTKKMOPVSAR-UFBFGSQYSA-N 1 0 387.299 3.793 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2(Cc3ccccc3Cl)CC[NH2+]CC2)cc1 ZINC001239239780 1042793791 /nfs/dbraw/zinc/79/37/91/1042793791.db2.gz MKXQGWKOWAFRFX-UHFFFAOYSA-N 1 0 382.895 3.946 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)cc1 ZINC001239245505 1042795798 /nfs/dbraw/zinc/79/57/98/1042795798.db2.gz NVAFUHGXQYKFSQ-UHFFFAOYSA-N 1 0 388.393 3.977 20 30 GHEDRO N#Cc1cccc(NC(=O)NC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)c1 ZINC001239250144 1042797445 /nfs/dbraw/zinc/79/74/45/1042797445.db2.gz JDUAGVXBHRUBGO-UHFFFAOYSA-N 1 0 388.393 3.977 20 30 GHEDRO F[C@@H]1CC[NH2+]C[C@@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239371240 1042814925 /nfs/dbraw/zinc/81/49/25/1042814925.db2.gz GFPBBLCKBBNKBC-MNOVXSKESA-N 1 0 389.340 3.711 20 30 GHEDRO CCCCCCCCCCNC(=S)NCC1(C(=O)OCC)CC[NH2+]CC1 ZINC001239380271 1042817500 /nfs/dbraw/zinc/81/75/00/1042817500.db2.gz KPRFECPCHIILMK-UHFFFAOYSA-N 1 0 385.618 3.524 20 30 GHEDRO CCCCCCCCNC(=S)NCC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001239389382 1042820022 /nfs/dbraw/zinc/82/00/22/1042820022.db2.gz GLJJOTUPTBLDTD-UHFFFAOYSA-N 1 0 376.614 3.819 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)cc1 ZINC001239393767 1042821586 /nfs/dbraw/zinc/82/15/86/1042821586.db2.gz QNHQLKDSZLAHKO-UHFFFAOYSA-N 1 0 384.936 3.863 20 30 GHEDRO [NH3+]C[C@]1(F)CCN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001239455646 1042832299 /nfs/dbraw/zinc/83/22/99/1042832299.db2.gz VGGBIKIGWDROBV-GFCCVEGCSA-N 1 0 389.340 3.794 20 30 GHEDRO COc1cc(CCC#N)c(-c2cccc(CC[NH+]3CCOCC3)c2)cc1OC ZINC001240269990 1042914787 /nfs/dbraw/zinc/91/47/87/1042914787.db2.gz AOJOSKWUAVOUSK-UHFFFAOYSA-N 1 0 380.488 3.702 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c12 ZINC001240342953 1042922361 /nfs/dbraw/zinc/92/23/61/1042922361.db2.gz FTUXTNKYQWUIRC-UHFFFAOYSA-N 1 0 383.455 3.915 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3ccc([C@@H](C#N)c4ccccc4F)nn3)cc2)CC1 ZINC001240849525 1042958030 /nfs/dbraw/zinc/95/80/30/1042958030.db2.gz OLWDLKFMAPPIHT-FQEVSTJZSA-N 1 0 387.462 3.690 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC[NH+]1CCCC1 ZINC001291443484 1043259841 /nfs/dbraw/zinc/25/98/41/1043259841.db2.gz ABDPMLOMLHSUNM-SFHVURJKSA-N 1 0 380.540 3.786 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCC[NH+]1CCCCC1 ZINC001291506303 1043314781 /nfs/dbraw/zinc/31/47/81/1043314781.db2.gz WXVZDQMKXMZHTC-RXVVDRJESA-N 1 0 390.551 3.890 20 30 GHEDRO N#Cc1cc(C[NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)ccc1F ZINC001256883200 1043720409 /nfs/dbraw/zinc/72/04/09/1043720409.db2.gz GWDRSJTVQQSZTG-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO N#CC1CCC([NH2+]C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256958669 1043773465 /nfs/dbraw/zinc/77/34/65/1043773465.db2.gz LSWJXIZKKLXOGZ-BOYUCYPVSA-N 1 0 377.532 3.722 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CCC(CC(=O)OC)CC3)C2)CC1 ZINC001256982580 1043783623 /nfs/dbraw/zinc/78/36/23/1043783623.db2.gz UZUASOGZPZBDIU-UHFFFAOYSA-N 1 0 392.540 3.609 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC001257013207 1043799739 /nfs/dbraw/zinc/79/97/39/1043799739.db2.gz DDOXYVAEWFWBKU-ABHNRTSZSA-N 1 0 379.426 3.727 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(C2CCC(c3ccc(C#N)cc3)CC2)CC1=O ZINC001257019216 1043802084 /nfs/dbraw/zinc/80/20/84/1043802084.db2.gz KPFOZTRVQXRTGY-UHFFFAOYSA-N 1 0 383.492 3.664 20 30 GHEDRO N#Cc1ccc(C2CCC(N3CCn4c(Cn5cccn5)cnc4C3)CC2)cc1 ZINC001257018276 1043803160 /nfs/dbraw/zinc/80/31/60/1043803160.db2.gz NKUMYNJOOROQRX-UHFFFAOYSA-N 1 0 386.503 3.542 20 30 GHEDRO COCC[N@H+](C1CCC(c2ccc(C#N)cc2)CC1)C1CCN(C(C)=O)CC1 ZINC001257021239 1043805656 /nfs/dbraw/zinc/80/56/56/1043805656.db2.gz QJMZGCKLHFRQHB-UHFFFAOYSA-N 1 0 383.536 3.544 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCC(NC(=O)c4ccncc4)CC3)CC2)cc1 ZINC001257022600 1043806970 /nfs/dbraw/zinc/80/69/70/1043806970.db2.gz NXALVFIXPFWZSK-UHFFFAOYSA-N 1 0 388.515 3.874 20 30 GHEDRO C=C(CC(C)C)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001292707437 1043842038 /nfs/dbraw/zinc/84/20/38/1043842038.db2.gz VKKWRMOXKMIEFT-UHFFFAOYSA-N 1 0 392.547 3.987 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-c2ccc(C)nn2)cc1)C(C)C ZINC001292958631 1043965352 /nfs/dbraw/zinc/96/53/52/1043965352.db2.gz YEBLRCQVCWAOOQ-QFIPXVFZSA-N 1 0 378.520 3.880 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(C)C ZINC001292957985 1043965465 /nfs/dbraw/zinc/96/54/65/1043965465.db2.gz QUTIWXIEPFLMAZ-ZWKOTPCHSA-N 1 0 385.335 3.842 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2cc(OC)ccc2nc1C)C(C)C ZINC001292957779 1043965527 /nfs/dbraw/zinc/96/55/27/1043965527.db2.gz OSGJSLZIRZPYIA-QFIPXVFZSA-N 1 0 381.520 3.980 20 30 GHEDRO C=CCOCc1nn(C2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c2c1C[NH2+]C2 ZINC001257586476 1044071031 /nfs/dbraw/zinc/07/10/31/1044071031.db2.gz SJALZBRCSNKZCM-GJZGRUSLSA-N 1 0 390.528 3.538 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001293423287 1044169347 /nfs/dbraw/zinc/16/93/47/1044169347.db2.gz CTFBTJHRJLKSRV-WOJBJXKFSA-N 1 0 378.524 3.536 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4OCC[C@@H](C(=O)NC5CCCC5)[C@@H]4C3)C[C@H](C1)C2 ZINC001257891140 1044247357 /nfs/dbraw/zinc/24/73/57/1044247357.db2.gz FYAYYBSAIKMDJV-SGZUMSGWSA-N 1 0 386.580 3.907 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4OCC[C@@]4(C(=O)NCc4ccco4)C3)C[C@H](C1)C2 ZINC001257892154 1044247509 /nfs/dbraw/zinc/24/75/09/1044247509.db2.gz USAHGRJUDBTWHG-HBJUJSCYSA-N 1 0 384.520 3.512 20 30 GHEDRO C=C1C[C@@H]2CC(N(C3CC[NH2+]CC3)S(=O)(=O)c3cccc(F)c3)C[C@H](C1)C2 ZINC001257894210 1044249336 /nfs/dbraw/zinc/24/93/36/1044249336.db2.gz NORJHHMTLCSURS-XEWABKELSA-N 1 0 392.540 3.703 20 30 GHEDRO CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001293683833 1044293062 /nfs/dbraw/zinc/29/30/62/1044293062.db2.gz UTWRAPAKBOMKPZ-GUWAZMKPSA-N 1 0 390.535 3.848 20 30 GHEDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc(C(C)(C)CCC#N)cc3)o2)C[C@H](C)O1 ZINC001258019613 1044346194 /nfs/dbraw/zinc/34/61/94/1044346194.db2.gz NXJHOTYFDOFPAK-IRXDYDNUSA-N 1 0 382.508 3.970 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCC(CC(=O)OCC)CC1)C2 ZINC001258032131 1044357772 /nfs/dbraw/zinc/35/77/72/1044357772.db2.gz LWMQNVCEYGWMBE-IRIHCNEDSA-N 1 0 379.541 3.572 20 30 GHEDRO CCCCCCC[C@@H](C)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258045297 1044367793 /nfs/dbraw/zinc/36/77/93/1044367793.db2.gz YVYVQMZFTMGTEE-CTNGQTDRSA-N 1 0 391.604 3.576 20 30 GHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001258042582 1044367952 /nfs/dbraw/zinc/36/79/52/1044367952.db2.gz QQASRMBLNMXOED-FPOVZHCZSA-N 1 0 384.568 3.941 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001258048020 1044371019 /nfs/dbraw/zinc/37/10/19/1044371019.db2.gz QHITXPBEJSTOND-UYWIDEMCSA-N 1 0 376.541 3.839 20 30 GHEDRO CC1([NH+]2CCCC2)CCC(NC(=O)c2cccc(C#N)c2Br)CC1 ZINC001462822408 1070573171 /nfs/dbraw/zinc/57/31/71/1070573171.db2.gz OTAHZAHPQLKYSQ-UHFFFAOYSA-N 1 0 390.325 3.848 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+]C2(C(C)C)CC2)c1C#N ZINC000549870014 1044599769 /nfs/dbraw/zinc/59/97/69/1044599769.db2.gz PGVLTVPZBSWXFE-UHFFFAOYSA-N 1 0 382.483 3.881 20 30 GHEDRO CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCC1 ZINC001294540864 1044690152 /nfs/dbraw/zinc/69/01/52/1044690152.db2.gz GYKHKYZKRPBXNL-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1 ZINC001296072702 1045245471 /nfs/dbraw/zinc/24/54/71/1045245471.db2.gz OJHHXKHJOJZDBU-GOSISDBHSA-N 1 0 398.580 3.545 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000488438910 1045777749 /nfs/dbraw/zinc/77/77/49/1045777749.db2.gz IEWMBMIJFOQPKI-JOCHJYFZSA-N 1 0 388.515 3.901 20 30 GHEDRO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC001299133620 1046018030 /nfs/dbraw/zinc/01/80/30/1046018030.db2.gz YXWLAGBALXRHPP-BJKOFHAPSA-N 1 0 399.469 3.600 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001261965343 1046142300 /nfs/dbraw/zinc/14/23/00/1046142300.db2.gz KMAKJGUFRPTBSR-PZJWPPBQSA-N 1 0 396.560 3.887 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001301087608 1046331183 /nfs/dbraw/zinc/33/11/83/1046331183.db2.gz NEUZJNFMCFUAIH-FQEVSTJZSA-N 1 0 395.551 3.518 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001301087503 1046331897 /nfs/dbraw/zinc/33/18/97/1046331897.db2.gz JUSMMEQFCWSSQE-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccn3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001301118711 1046353723 /nfs/dbraw/zinc/35/37/23/1046353723.db2.gz FYNLONCOAPWUEX-UHFFFAOYSA-N 1 0 382.556 3.861 20 30 GHEDRO C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001301208767 1046404783 /nfs/dbraw/zinc/40/47/83/1046404783.db2.gz CZMSWMWXAOONCM-JKSUJKDBSA-N 1 0 388.947 3.879 20 30 GHEDRO C=CCCCn1c(CC2CC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001301226253 1046415495 /nfs/dbraw/zinc/41/54/95/1046415495.db2.gz DXRZFAKFHWLMTL-UHFFFAOYSA-N 1 0 379.552 3.909 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262945817 1046441838 /nfs/dbraw/zinc/44/18/38/1046441838.db2.gz ATXPLYUMSPQWNJ-RTBURBONSA-N 1 0 392.551 3.585 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C[NH+](C)C ZINC001301270861 1046442677 /nfs/dbraw/zinc/44/26/77/1046442677.db2.gz PAGYGQVYHGCEEF-UHFFFAOYSA-N 1 0 393.482 3.757 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001301282536 1046451752 /nfs/dbraw/zinc/45/17/52/1046451752.db2.gz FJRQRJUYOCOZQB-FQEVSTJZSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001262962490 1046453284 /nfs/dbraw/zinc/45/32/84/1046453284.db2.gz OGKNWAARVDQLDP-SJLPKXTDSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001301295338 1046460971 /nfs/dbraw/zinc/46/09/71/1046460971.db2.gz IWCBFVLYEGELQV-IEBWSBKVSA-N 1 0 385.512 3.572 20 30 GHEDRO C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC[NH+]1CCC(C)CC1 ZINC001301299354 1046463825 /nfs/dbraw/zinc/46/38/25/1046463825.db2.gz JWTGFQHDQUFPRE-UHFFFAOYSA-N 1 0 389.494 3.501 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001301308723 1046470602 /nfs/dbraw/zinc/47/06/02/1046470602.db2.gz KEOCTXLNSFQYAQ-UHFFFAOYSA-N 1 0 395.551 3.662 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC[NH+]1CCCCC1 ZINC001301311161 1046473435 /nfs/dbraw/zinc/47/34/35/1046473435.db2.gz ZQTIVDGVLNOBMA-UHFFFAOYSA-N 1 0 385.581 3.987 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[N@@H+](CCC)C1)C1CC1 ZINC001301322452 1046484344 /nfs/dbraw/zinc/48/43/44/1046484344.db2.gz JNTZRHNHTGKJKY-SFHVURJKSA-N 1 0 380.540 3.535 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC001301326495 1046490373 /nfs/dbraw/zinc/49/03/73/1046490373.db2.gz AXFSNYCAIRWODP-CTNGQTDRSA-N 1 0 395.551 3.548 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001301327948 1046491563 /nfs/dbraw/zinc/49/15/63/1046491563.db2.gz MGGGKBIVXQSWER-MRXNPFEDSA-N 1 0 383.355 3.650 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001301350537 1046506685 /nfs/dbraw/zinc/50/66/85/1046506685.db2.gz ZLRNIIOOPPQSIX-NHCUHLMSSA-N 1 0 395.551 3.662 20 30 GHEDRO CCn1c([C@@H](C)Cc2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263019075 1046507514 /nfs/dbraw/zinc/50/75/14/1046507514.db2.gz ZXIXDKHDRFICQD-RXVVDRJESA-N 1 0 394.567 3.684 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CC[N@H+]1CC=CCC1 ZINC001301358911 1046509558 /nfs/dbraw/zinc/50/95/58/1046509558.db2.gz AYHYDXAPCSTPCJ-UHFFFAOYSA-N 1 0 394.548 3.789 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001301555333 1046595506 /nfs/dbraw/zinc/59/55/06/1046595506.db2.gz VJBPGAIESJZNMK-VQTJNVASSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001263285357 1046679446 /nfs/dbraw/zinc/67/94/46/1046679446.db2.gz FJFDBUAHSIJEMX-JOCHJYFZSA-N 1 0 385.556 3.501 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC001301880639 1046743551 /nfs/dbraw/zinc/74/35/51/1046743551.db2.gz KLTZYWOTNJWGBZ-WIYYLYMNSA-N 1 0 386.499 3.805 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCCCC[NH+]1CCCCC1 ZINC001301960365 1046762746 /nfs/dbraw/zinc/76/27/46/1046762746.db2.gz WVQAMXVQHAFIFB-IBGZPJMESA-N 1 0 395.555 3.592 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC1([NH+](C)C)CCC1 ZINC001301970680 1046768553 /nfs/dbraw/zinc/76/85/53/1046768553.db2.gz IMNSFDVFHHTLRN-IBGZPJMESA-N 1 0 394.567 3.534 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001301972234 1046770131 /nfs/dbraw/zinc/77/01/31/1046770131.db2.gz TVOKHMOCJRZOPO-PKOBYXMFSA-N 1 0 396.539 3.647 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2nnc(C3(C#N)CCCCC3)n2CC2CC2)CC1 ZINC001263744095 1047086182 /nfs/dbraw/zinc/08/61/82/1047086182.db2.gz TWAYWVIZZAEOQH-UHFFFAOYSA-N 1 0 396.583 3.868 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001303628186 1047454620 /nfs/dbraw/zinc/45/46/20/1047454620.db2.gz UPKBIODKVYEVPL-HZPDHXFCSA-N 1 0 398.942 3.821 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1)[NH+](C)C ZINC001303695387 1047483522 /nfs/dbraw/zinc/48/35/22/1047483522.db2.gz INFVUHVRZXWDIO-LMNJBCLMSA-N 1 0 392.551 3.783 20 30 GHEDRO CC(C)(C)OC(=O)c1ccccc1C1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000599381792 1047531739 /nfs/dbraw/zinc/53/17/39/1047531739.db2.gz BTISGTBPQVXNNX-SFHVURJKSA-N 1 0 384.520 3.876 20 30 GHEDRO C=CCC1(C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCCCC1 ZINC001265298597 1047589135 /nfs/dbraw/zinc/58/91/35/1047589135.db2.gz XHFPWDLKPFZXFC-UHFFFAOYSA-N 1 0 399.579 3.802 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001305073687 1047874853 /nfs/dbraw/zinc/87/48/53/1047874853.db2.gz LVGJJZXPIMFJOY-GOSISDBHSA-N 1 0 378.524 3.539 20 30 GHEDRO C#CCCC[NH+]1CCC2(C[C@@H]2C(=O)Nc2ncc(C)cc2Br)CC1 ZINC001279750571 1047942051 /nfs/dbraw/zinc/94/20/51/1047942051.db2.gz FSIZMVBBHVGXLO-OAHLLOKOSA-N 1 0 390.325 3.607 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC001279818694 1047959454 /nfs/dbraw/zinc/95/94/54/1047959454.db2.gz RWKGZDYERMJQEH-MCPREKNCSA-N 1 0 392.330 3.870 20 30 GHEDRO C=CCCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N(C)CCOC ZINC001279837320 1047963651 /nfs/dbraw/zinc/96/36/51/1047963651.db2.gz ZLESTWFYFCAHNZ-LJQANCHMSA-N 1 0 382.614 3.815 20 30 GHEDRO C[NH2+][C@@]12CC[C@@](NC(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)(C1)CCC2 ZINC001279911854 1047986648 /nfs/dbraw/zinc/98/66/48/1047986648.db2.gz RKVDAJDWWWYLDB-DLBZAZTESA-N 1 0 382.455 3.928 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001286274266 1048247120 /nfs/dbraw/zinc/24/71/20/1048247120.db2.gz LFKIPOFBAPRNJM-IRXDYDNUSA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[NH+]1CCCCC1 ZINC001286278124 1048248824 /nfs/dbraw/zinc/24/88/24/1048248824.db2.gz LKZRORFOWCEFIA-ZWKOTPCHSA-N 1 0 399.514 3.501 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286279074 1048250073 /nfs/dbraw/zinc/25/00/73/1048250073.db2.gz JTQKUTRZMDFSIQ-SFHVURJKSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001286303782 1048265346 /nfs/dbraw/zinc/26/53/46/1048265346.db2.gz KEVZURZZSDZXLY-RTWAWAEBSA-N 1 0 393.579 3.642 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001286303750 1048265481 /nfs/dbraw/zinc/26/54/81/1048265481.db2.gz CURDKGDXKRWZSP-MSOLQXFVSA-N 1 0 397.592 3.819 20 30 GHEDRO C#CCCCn1c(-c2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286344217 1048279748 /nfs/dbraw/zinc/27/97/48/1048279748.db2.gz PUTZRTYPKCIJTQ-SFHVURJKSA-N 1 0 381.499 3.562 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286366203 1048291250 /nfs/dbraw/zinc/29/12/50/1048291250.db2.gz XSDYTNNYUAUXJK-MSOLQXFVSA-N 1 0 391.519 3.881 20 30 GHEDRO C#CCN(C)c1nnc(CCc2ccccc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286379019 1048299964 /nfs/dbraw/zinc/29/99/64/1048299964.db2.gz BYSFBROVSTZOLF-OYRHEFFESA-N 1 0 393.579 3.501 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001286431146 1048318326 /nfs/dbraw/zinc/31/83/26/1048318326.db2.gz SGQQKEDDWPDNKA-UHFFFAOYSA-N 1 0 381.568 3.521 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCCCC[NH+]1CCCC1 ZINC001286431650 1048318481 /nfs/dbraw/zinc/31/84/81/1048318481.db2.gz WXNCDYFNLMISIU-UHFFFAOYSA-N 1 0 381.568 3.665 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001286439387 1048321593 /nfs/dbraw/zinc/32/15/93/1048321593.db2.gz VCHOWUWGQRUEJV-UHFFFAOYSA-N 1 0 390.535 3.541 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CC[N@@H+](C)CCCC ZINC001286523851 1048348870 /nfs/dbraw/zinc/34/88/70/1048348870.db2.gz FEPXXTWYJJNKHS-XMMPIXPASA-N 1 0 393.579 3.901 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)[NH+](C)C ZINC001286567697 1048367812 /nfs/dbraw/zinc/36/78/12/1048367812.db2.gz WXCAJNAZJHPJDY-HNNXBMFYSA-N 1 0 393.482 3.899 20 30 GHEDRO C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001286611346 1048387273 /nfs/dbraw/zinc/38/72/73/1048387273.db2.gz JQQOWFXMEHUMEW-HXUWFJFHSA-N 1 0 387.572 3.593 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286644832 1048410799 /nfs/dbraw/zinc/41/07/99/1048410799.db2.gz KTHXAQKWUWDRFM-FQEVSTJZSA-N 1 0 394.567 3.925 20 30 GHEDRO C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286688422 1048449363 /nfs/dbraw/zinc/44/93/63/1048449363.db2.gz AMDFOUPPPLFFMK-UHFFFAOYSA-N 1 0 382.556 3.541 20 30 GHEDRO C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286699157 1048460216 /nfs/dbraw/zinc/46/02/16/1048460216.db2.gz PJDSWPGTTXENNP-FQEVSTJZSA-N 1 0 387.572 3.941 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CC1)[NH+](C)C ZINC001286719377 1048474204 /nfs/dbraw/zinc/47/42/04/1048474204.db2.gz LTLWYBPMSDTRDI-KRWDZBQOSA-N 1 0 377.895 3.700 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(OC)c2)n1CC[NH+]1CCCCC1)C1CC1 ZINC001286734298 1048492476 /nfs/dbraw/zinc/49/24/76/1048492476.db2.gz PRBMAMPAXZZPIU-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001286757006 1048509515 /nfs/dbraw/zinc/50/95/15/1048509515.db2.gz CDQXGVLMEVICFS-VQTJNVASSA-N 1 0 387.572 3.615 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001286800806 1048529266 /nfs/dbraw/zinc/52/92/66/1048529266.db2.gz REACLWASCCDDFA-HMXCVIKNSA-N 1 0 397.567 3.876 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001286808278 1048534848 /nfs/dbraw/zinc/53/48/48/1048534848.db2.gz KJRVRHSUHVZMGS-ICSRJNTNSA-N 1 0 387.572 3.591 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001306347424 1048586313 /nfs/dbraw/zinc/58/63/13/1048586313.db2.gz XGBGBJPOPUSYFM-NQIIRXRSSA-N 1 0 392.551 3.927 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001287266893 1048693870 /nfs/dbraw/zinc/69/38/70/1048693870.db2.gz IPXIIWNTHBQXOJ-FQEVSTJZSA-N 1 0 389.499 3.599 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001287391687 1048753244 /nfs/dbraw/zinc/75/32/44/1048753244.db2.gz YXVMGSYYQNSZLB-IBGZPJMESA-N 1 0 391.515 3.744 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001287407430 1048761243 /nfs/dbraw/zinc/76/12/43/1048761243.db2.gz NQJMIMUQKAEXSX-OALUTQOASA-N 1 0 386.588 3.727 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001287407428 1048761522 /nfs/dbraw/zinc/76/15/22/1048761522.db2.gz NQJMIMUQKAEXSX-MOPGFXCFSA-N 1 0 386.588 3.727 20 30 GHEDRO CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001306691633 1048818327 /nfs/dbraw/zinc/81/83/27/1048818327.db2.gz ZRRGDHCIBWXQKG-QGZVFWFLSA-N 1 0 380.540 3.926 20 30 GHEDRO CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001306703989 1048833844 /nfs/dbraw/zinc/83/38/44/1048833844.db2.gz QYCPCCQRFMMQQS-FQEVSTJZSA-N 1 0 378.524 3.681 20 30 GHEDRO CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1CC1([NH+](C)C)CCC1 ZINC001287598587 1048843524 /nfs/dbraw/zinc/84/35/24/1048843524.db2.gz PDQFCJGTOZKHEL-UHFFFAOYSA-N 1 0 395.555 3.591 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(Nc4cncc(C#N)n4)cc3)CC2)c1 ZINC001306931647 1048965419 /nfs/dbraw/zinc/96/54/19/1048965419.db2.gz WULTWLUNPOWTKD-UHFFFAOYSA-N 1 0 384.487 3.723 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CC2)CC1 ZINC001307038663 1049030130 /nfs/dbraw/zinc/03/01/30/1049030130.db2.gz LDIDRJLOYQVOKO-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001288616125 1049161981 /nfs/dbraw/zinc/16/19/81/1049161981.db2.gz YHWASHDMIAEBQW-APWZRJJASA-N 1 0 390.491 3.701 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001307481773 1049320593 /nfs/dbraw/zinc/32/05/93/1049320593.db2.gz IPUGPTKRJJFELA-KRWDZBQOSA-N 1 0 396.922 3.747 20 30 GHEDRO CC[N@H+]([C@@H](COC)Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307520519 1049363736 /nfs/dbraw/zinc/36/37/36/1049363736.db2.gz JDIMMPAEFABJSZ-PKTZIBPZSA-N 1 0 391.515 3.633 20 30 GHEDRO CC(C)([C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001307608108 1049447490 /nfs/dbraw/zinc/44/74/90/1049447490.db2.gz QYAZRTCMYLOMJX-FXAWDEMLSA-N 1 0 391.506 3.915 20 30 GHEDRO C[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C1(c2ccccc2)CCCC1 ZINC001307691070 1049509264 /nfs/dbraw/zinc/50/92/64/1049509264.db2.gz BKLIETVZFKRHQE-IBGZPJMESA-N 1 0 386.495 3.776 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC001307698078 1049516909 /nfs/dbraw/zinc/51/69/09/1049516909.db2.gz LVYSJEWBEHDZFZ-SSGKUCQKSA-N 1 0 376.500 3.956 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[N@@H+]2CCCC(C)(C)C2)o1 ZINC001289523132 1049523584 /nfs/dbraw/zinc/52/35/84/1049523584.db2.gz QYOSCGZZUAJHHH-MRXNPFEDSA-N 1 0 384.528 3.707 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)o1 ZINC001289560274 1049540390 /nfs/dbraw/zinc/54/03/90/1049540390.db2.gz OMQGPGOAGWBZTR-IBGZPJMESA-N 1 0 396.539 3.707 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC001307782806 1049588911 /nfs/dbraw/zinc/58/89/11/1049588911.db2.gz AIGSVACPUGMWEI-NNWRFLSQSA-N 1 0 387.568 3.817 20 30 GHEDRO Cc1ccc(CC2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)cc1C ZINC001307812368 1049608759 /nfs/dbraw/zinc/60/87/59/1049608759.db2.gz FVFMJUXNZOCTRG-QHCPKHFHSA-N 1 0 378.516 3.870 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001307945058 1049715363 /nfs/dbraw/zinc/71/53/63/1049715363.db2.gz WNEMNIWPNUAPEZ-KRWDZBQOSA-N 1 0 377.271 3.627 20 30 GHEDRO C#CC[N@H+](C[C@]1(C)CC1(Cl)Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075104 1049820926 /nfs/dbraw/zinc/82/09/26/1049820926.db2.gz IMXTUEOPULTSRQ-KRWDZBQOSA-N 1 0 375.340 3.905 20 30 GHEDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001308097481 1049843779 /nfs/dbraw/zinc/84/37/79/1049843779.db2.gz CZOXFUZHXVOLTK-AVRDEDQJSA-N 1 0 399.498 3.951 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC001308106288 1049851515 /nfs/dbraw/zinc/85/15/15/1049851515.db2.gz YUSPKWPHPQVGKU-QZTJIDSGSA-N 1 0 382.533 3.651 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001308109978 1049854750 /nfs/dbraw/zinc/85/47/50/1049854750.db2.gz DTYLZKXEVGGDDN-PGRDOPGGSA-N 1 0 385.508 3.858 20 30 GHEDRO CC(C)(C)n1cncc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC001308164261 1049895157 /nfs/dbraw/zinc/89/51/57/1049895157.db2.gz APMVOCUGHHLBCN-SFHVURJKSA-N 1 0 379.508 3.718 20 30 GHEDRO C#CCN(CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(=O)OC(C)(C)C ZINC001290687111 1049901226 /nfs/dbraw/zinc/90/12/26/1049901226.db2.gz KAONVXNWNAEHTJ-SFHVURJKSA-N 1 0 399.535 3.727 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)/C=C\c2ccc(F)cc2)C1 ZINC001290890828 1049944645 /nfs/dbraw/zinc/94/46/45/1049944645.db2.gz HEHLDLHYALHRBC-ADYSOMBNSA-N 1 0 394.490 3.956 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC001308377776 1049961772 /nfs/dbraw/zinc/96/17/72/1049961772.db2.gz NQHRTUNSFONLQO-SOUVJXGZSA-N 1 0 381.316 3.829 20 30 GHEDRO C[C@@H]1C[C@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291005299 1049969044 /nfs/dbraw/zinc/96/90/44/1049969044.db2.gz VFIVRQPUQGLHRA-HDICACEKSA-N 1 0 394.567 3.887 20 30 GHEDRO Cc1ccccc1CN1CCO[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001308495299 1049990390 /nfs/dbraw/zinc/99/03/90/1049990390.db2.gz QWAZJZJSPXBYQZ-QHCPKHFHSA-N 1 0 377.532 3.787 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1OC ZINC001308505625 1049992645 /nfs/dbraw/zinc/99/26/45/1049992645.db2.gz JPOQOFPKTNNJTB-KRWDZBQOSA-N 1 0 395.927 3.979 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCc3ccc(OC(F)(F)F)cc3)C2)nc1 ZINC001330203022 1050975456 /nfs/dbraw/zinc/97/54/56/1050975456.db2.gz UBWJYGJBURJBKU-KRWDZBQOSA-N 1 0 377.366 3.548 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC001310165111 1051201971 /nfs/dbraw/zinc/20/19/71/1051201971.db2.gz AVAPXMGSRZZNHK-SFHVURJKSA-N 1 0 392.503 3.937 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC001310237338 1051241266 /nfs/dbraw/zinc/24/12/66/1051241266.db2.gz JFMACACWHJKWJB-GOSISDBHSA-N 1 0 394.475 3.965 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC001331565145 1051327163 /nfs/dbraw/zinc/32/71/63/1051327163.db2.gz JJZBFRPSTICUCV-QFIPXVFZSA-N 1 0 392.499 3.501 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cnn1C ZINC001332362560 1051505116 /nfs/dbraw/zinc/50/51/16/1051505116.db2.gz YGENSDWHXQFXJD-HOTGVXAUSA-N 1 0 389.544 3.699 20 30 GHEDRO CC(C)C[C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC001311216029 1051947053 /nfs/dbraw/zinc/94/70/53/1051947053.db2.gz NAYZIZGKQURVAS-DJIMGWMZSA-N 1 0 384.446 3.896 20 30 GHEDRO N#CC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC001311216016 1051947139 /nfs/dbraw/zinc/94/71/39/1051947139.db2.gz MWDQGNFSBXFHPR-KSZLIROESA-N 1 0 394.441 3.527 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@@H](C)N3CCc4sccc4C3)cc2n1 ZINC001311237786 1051959095 /nfs/dbraw/zinc/95/90/95/1051959095.db2.gz OALFGZXZBCBNKT-OAHLLOKOSA-N 1 0 395.532 3.852 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)cc21 ZINC001311252605 1051969367 /nfs/dbraw/zinc/96/93/67/1051969367.db2.gz RHODNRFZZATSCB-FQEVSTJZSA-N 1 0 377.492 3.517 20 30 GHEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(C#N)cc2C2CC2)c1 ZINC001311282381 1051991078 /nfs/dbraw/zinc/99/10/78/1051991078.db2.gz OEAYRFOWIZVPSE-UHFFFAOYSA-N 1 0 378.476 3.698 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)C[C@@H]2C1 ZINC001336095137 1052226776 /nfs/dbraw/zinc/22/67/76/1052226776.db2.gz LSAWFGGMWCWEST-XDNAFOTISA-N 1 0 394.441 3.533 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001311671510 1052318002 /nfs/dbraw/zinc/31/80/02/1052318002.db2.gz AEFTYFNDGSOLKC-KAHCOFSNSA-N 1 0 382.552 3.834 20 30 GHEDRO N#CCC[C@H](NC(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC001336863113 1052353487 /nfs/dbraw/zinc/35/34/87/1052353487.db2.gz JXDAMFSSVPLKDA-MZKRTTBSSA-N 1 0 390.487 3.587 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001311719773 1052354174 /nfs/dbraw/zinc/35/41/74/1052354174.db2.gz BVUVZOCOOIKEOW-UHFFFAOYSA-N 1 0 375.516 3.668 20 30 GHEDRO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001336976719 1052372098 /nfs/dbraw/zinc/37/20/98/1052372098.db2.gz RGJFGKFXIJBFQB-DSIKNWQXSA-N 1 0 389.902 3.542 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC001337026613 1052380871 /nfs/dbraw/zinc/38/08/71/1052380871.db2.gz RYAMXVUYUQRJGZ-INIZCTEOSA-N 1 0 395.341 3.693 20 30 GHEDRO C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311823331 1052421958 /nfs/dbraw/zinc/42/19/58/1052421958.db2.gz URJHHCVUYJDDCW-MJGOQNOKSA-N 1 0 388.531 3.779 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001312939367 1052916577 /nfs/dbraw/zinc/91/65/77/1052916577.db2.gz ZFMGVKDXDTYZMT-HXUWFJFHSA-N 1 0 387.886 3.927 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC001313026410 1052936875 /nfs/dbraw/zinc/93/68/75/1052936875.db2.gz OJVSHIKAZCRMCL-QFIPXVFZSA-N 1 0 380.536 3.854 20 30 GHEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC[NH+](C(C)C)C(C)C)C1CC1 ZINC001313590492 1053119431 /nfs/dbraw/zinc/11/94/31/1053119431.db2.gz RGUSWQJAHWZZAJ-UHFFFAOYSA-N 1 0 380.540 3.924 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(CC(C)(C)C#N)n2CCc2ccccc2)CC1 ZINC001342398714 1053147017 /nfs/dbraw/zinc/14/70/17/1053147017.db2.gz IJZBLKTXFWUMCB-UHFFFAOYSA-N 1 0 394.567 3.534 20 30 GHEDRO C=CCn1c([C@@H](O)CC2CCCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001342472963 1053188604 /nfs/dbraw/zinc/18/86/04/1053188604.db2.gz SHXCBZDNUKFOFZ-UXHICEINSA-N 1 0 389.588 3.636 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001313722271 1053190812 /nfs/dbraw/zinc/19/08/12/1053190812.db2.gz UBACJZLYGSUTRR-GOSISDBHSA-N 1 0 380.540 3.805 20 30 GHEDRO CC[NH+]1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CC=CCC2)CC1 ZINC001313880361 1053268505 /nfs/dbraw/zinc/26/85/05/1053268505.db2.gz IWCJFRQIXIYUFB-UHFFFAOYSA-N 1 0 390.535 3.705 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C)=C(C)C2)C1 ZINC001313885944 1053270508 /nfs/dbraw/zinc/27/05/08/1053270508.db2.gz JIKQMMFJLOKTRW-HXUWFJFHSA-N 1 0 390.535 3.705 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[NH+](CC)CC)C2)nnc1C1(C#N)CCCCC1 ZINC001342664208 1053287575 /nfs/dbraw/zinc/28/75/75/1053287575.db2.gz HRJGOPKIHMZAGW-IBGZPJMESA-N 1 0 384.572 3.748 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2C(C)C)C[C@H]1C ZINC001313935588 1053290487 /nfs/dbraw/zinc/29/04/87/1053290487.db2.gz ISWKBGDXEPNCAR-LSTHTHJFSA-N 1 0 378.524 3.564 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001342699397 1053307637 /nfs/dbraw/zinc/30/76/37/1053307637.db2.gz LHTCFYBIRFYAHI-FJIDUMEYSA-N 1 0 393.526 3.924 20 30 GHEDRO C=C(C)Cn1c(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)nnc1[C@@]1(C)CCC=CO1 ZINC001342707286 1053311504 /nfs/dbraw/zinc/31/15/04/1053311504.db2.gz MQIJQYAQVNUVKG-XMSQKQJNSA-N 1 0 394.523 3.504 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001342762455 1053344247 /nfs/dbraw/zinc/34/42/47/1053344247.db2.gz VIBYEMGGJQCVCP-HXUWFJFHSA-N 1 0 384.572 3.649 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)n1CC(C)C ZINC001343046053 1053515467 /nfs/dbraw/zinc/51/54/67/1053515467.db2.gz UNDAMFFGAQUTMA-OTWHNJEPSA-N 1 0 386.588 3.682 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CCCCC)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343055132 1053521687 /nfs/dbraw/zinc/52/16/87/1053521687.db2.gz PPYYQIPUYPLAQA-VNTMZGSJSA-N 1 0 389.588 3.634 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(C2CC2)nnc1N1CCC(CC#N)CC1)c1ccccc1 ZINC001314648273 1053548716 /nfs/dbraw/zinc/54/87/16/1053548716.db2.gz FQRXWUWEYKZAJP-HXUWFJFHSA-N 1 0 378.524 3.588 20 30 GHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)[NH+](C)C)C1CC1 ZINC001314649332 1053549273 /nfs/dbraw/zinc/54/92/73/1053549273.db2.gz VAJMUQJFGGQRPL-GOSISDBHSA-N 1 0 392.532 3.780 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3n[nH]cc3c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343314462 1053698397 /nfs/dbraw/zinc/69/83/97/1053698397.db2.gz FVRIVRZUIGAVFI-UHFFFAOYSA-N 1 0 393.539 3.708 20 30 GHEDRO CC(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001343556177 1053875019 /nfs/dbraw/zinc/87/50/19/1053875019.db2.gz AJRMMAIZOQZLAC-HKUYNNGSSA-N 1 0 398.942 3.537 20 30 GHEDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC001317928126 1054313922 /nfs/dbraw/zinc/31/39/22/1054313922.db2.gz HXAYNHLXECDYJF-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC001344367110 1054387573 /nfs/dbraw/zinc/38/75/73/1054387573.db2.gz SCQCSMYCVOITLQ-HXUWFJFHSA-N 1 0 376.504 3.773 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CCCC#N)n2CCc2ccccc2)[C@@H](C)C1 ZINC001344481092 1054509994 /nfs/dbraw/zinc/50/99/94/1054509994.db2.gz DDOFEZLMXAOQIU-FPOVZHCZSA-N 1 0 394.567 3.534 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001318346164 1054579889 /nfs/dbraw/zinc/57/98/89/1054579889.db2.gz BSIMIUPGZKGLGY-UHFFFAOYSA-N 1 0 397.822 3.977 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc([C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001345271134 1054967937 /nfs/dbraw/zinc/96/79/37/1054967937.db2.gz LLMBCPMXZCYRBL-WZONZLPQSA-N 1 0 392.551 3.590 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319482100 1055274198 /nfs/dbraw/zinc/27/41/98/1055274198.db2.gz QRPHVMTVRMRQBF-PZJWPPBQSA-N 1 0 383.467 3.635 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC)C1CCCC1 ZINC001345875806 1055306298 /nfs/dbraw/zinc/30/62/98/1055306298.db2.gz QQTLMHNTKWBEPA-FQEVSTJZSA-N 1 0 387.572 3.939 20 30 GHEDRO C=CCn1cnn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1=S ZINC001319751831 1055444180 /nfs/dbraw/zinc/44/41/80/1055444180.db2.gz YHLJWGHXEQVTPI-PMACEKPBSA-N 1 0 383.565 3.544 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC3CCC2CC3)c1C#N ZINC001319772186 1055458601 /nfs/dbraw/zinc/45/86/01/1055458601.db2.gz ZUBZZDZJGYYDKK-UHFFFAOYSA-N 1 0 380.492 3.821 20 30 GHEDRO C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C ZINC001319996071 1055586204 /nfs/dbraw/zinc/58/62/04/1055586204.db2.gz SSUFPLOOZDECOR-INIZCTEOSA-N 1 0 397.523 3.694 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1F ZINC001320225171 1055715364 /nfs/dbraw/zinc/71/53/64/1055715364.db2.gz CQTDHGHSAVVTGT-GFCCVEGCSA-N 1 0 379.357 3.797 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300449699 1056130206 /nfs/dbraw/zinc/13/02/06/1056130206.db2.gz MMRJRFJFAUUISO-FDDCHVKYSA-N 1 0 379.552 3.833 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC001321656092 1056354139 /nfs/dbraw/zinc/35/41/39/1056354139.db2.gz UGGDRUJHRVMJQX-QUCCMNQESA-N 1 0 394.523 3.691 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001300560566 1056477878 /nfs/dbraw/zinc/47/78/78/1056477878.db2.gz DSJUHLSLIJUDGL-SFHVURJKSA-N 1 0 397.954 3.792 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCC#C[Si](C)(C)C ZINC001300588270 1056561840 /nfs/dbraw/zinc/56/18/40/1056561840.db2.gz IFGQQECWNFZDLT-IBGZPJMESA-N 1 0 386.612 3.941 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001300619324 1056685686 /nfs/dbraw/zinc/68/56/86/1056685686.db2.gz VWCHPFBPKAHNJT-HXUWFJFHSA-N 1 0 394.567 3.763 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001300620817 1056691244 /nfs/dbraw/zinc/69/12/44/1056691244.db2.gz GKEUEHAUQQCHGY-FQEVSTJZSA-N 1 0 383.515 3.837 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001322715699 1056815999 /nfs/dbraw/zinc/81/59/99/1056815999.db2.gz BIMUYNRNVXQAOM-SFHVURJKSA-N 1 0 383.879 3.620 20 30 GHEDRO C#Cc1cncc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001354967128 1056998406 /nfs/dbraw/zinc/99/84/06/1056998406.db2.gz WBFRRYWYJUMVMQ-UHFFFAOYSA-N 1 0 383.495 3.885 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001300780873 1057017524 /nfs/dbraw/zinc/01/75/24/1057017524.db2.gz YMBYSMXFNPPLCT-YADARESESA-N 1 0 391.563 3.842 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCc2cn(C(C)C)nc21)C(C)C ZINC001323971872 1057046761 /nfs/dbraw/zinc/04/67/61/1057046761.db2.gz RCCIMZKSRXLOAX-VQTJNVASSA-N 1 0 387.572 3.839 20 30 GHEDRO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC001324401077 1057125855 /nfs/dbraw/zinc/12/58/55/1057125855.db2.gz YXGNPRHSERDMOS-HNNXBMFYSA-N 1 0 379.407 3.643 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccn(-c3cccc(C#N)c3)n2)o1 ZINC001325820777 1057369725 /nfs/dbraw/zinc/36/97/25/1057369725.db2.gz CQBFSCCVUXOULI-MRXNPFEDSA-N 1 0 376.464 3.629 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001356316557 1057469445 /nfs/dbraw/zinc/46/94/45/1057469445.db2.gz DTTLVXYDIBNJGV-QGZVFWFLSA-N 1 0 384.553 3.645 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001356329878 1057477764 /nfs/dbraw/zinc/47/77/64/1057477764.db2.gz MIXXEXPSBOFCMV-HXUWFJFHSA-N 1 0 392.551 3.801 20 30 GHEDRO COc1cccc2cc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)oc21 ZINC001326710796 1057539819 /nfs/dbraw/zinc/53/98/19/1057539819.db2.gz YARFWMMXZWYWGD-UHFFFAOYSA-N 1 0 387.443 3.903 20 30 GHEDRO C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1F ZINC001326728896 1057543979 /nfs/dbraw/zinc/54/39/79/1057543979.db2.gz QNCILVXGHYCCEY-HNNXBMFYSA-N 1 0 383.442 3.721 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCNc2ccc(C#N)cn2)cc1 ZINC000849071968 1057580679 /nfs/dbraw/zinc/58/06/79/1057580679.db2.gz WFVDCVQVMINOCV-UHFFFAOYSA-N 1 0 384.487 3.932 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC001326977357 1057581002 /nfs/dbraw/zinc/58/10/02/1057581002.db2.gz JXQAXSYYPUTWOC-UHFFFAOYSA-N 1 0 397.223 3.519 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000849081796 1057585115 /nfs/dbraw/zinc/58/51/15/1057585115.db2.gz NDUCHWBUYRUIRG-SJORKVTESA-N 1 0 385.512 3.507 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2nc(Br)ccc2C#N)CC1 ZINC001337901285 1058319781 /nfs/dbraw/zinc/31/97/81/1058319781.db2.gz JKLJTGJVJWILMU-CYBMUJFWSA-N 1 0 386.297 3.748 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@@H]2C1 ZINC001440196918 1058460998 /nfs/dbraw/zinc/46/09/98/1058460998.db2.gz IPARXOZYLQUFSW-VLCRHTCISA-N 1 0 375.472 3.615 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001441659086 1058835510 /nfs/dbraw/zinc/83/55/10/1058835510.db2.gz OWOVDGWSSRSHML-UHFFFAOYSA-N 1 0 390.487 3.690 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001339004393 1058921849 /nfs/dbraw/zinc/92/18/49/1058921849.db2.gz UBLGZSIAPUNQNH-LJQANCHMSA-N 1 0 398.555 3.684 20 30 GHEDRO CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001339593011 1059330107 /nfs/dbraw/zinc/33/01/07/1059330107.db2.gz NRXWBNJWTPWJOI-LEWJYISDSA-N 1 0 392.551 3.808 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N(C)[C@@H](C)CC#N ZINC001339692200 1059395747 /nfs/dbraw/zinc/39/57/47/1059395747.db2.gz XTZCPUQEQSPVBP-ICSRJNTNSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c([C@H]2CC(C)=NN=C2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001340317707 1059852356 /nfs/dbraw/zinc/85/23/56/1059852356.db2.gz XZMYMBPVNBCFHI-FQEVSTJZSA-N 1 0 399.587 3.737 20 30 GHEDRO C=C(C)Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC)c1O ZINC001340425036 1059925628 /nfs/dbraw/zinc/92/56/28/1059925628.db2.gz PZGSILAWJRUOKL-UHFFFAOYSA-N 1 0 383.540 3.756 20 30 GHEDRO CC[C@H]1CN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001447502893 1059973792 /nfs/dbraw/zinc/97/37/92/1059973792.db2.gz ZHPZXTONGXTXCC-CVDCTZTESA-N 1 0 375.516 3.860 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001340569666 1059978755 /nfs/dbraw/zinc/97/87/55/1059978755.db2.gz CYMJRVFSGSFRPS-HSZRJFAPSA-N 1 0 397.567 3.645 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001340598706 1059990773 /nfs/dbraw/zinc/99/07/73/1059990773.db2.gz BBKFUQDJPSYDJK-PCCBWWKXSA-N 1 0 377.536 3.513 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)C1 ZINC001341147744 1060449777 /nfs/dbraw/zinc/44/97/77/1060449777.db2.gz VAQSPFVUHQBAKO-FQEVSTJZSA-N 1 0 394.567 3.587 20 30 GHEDRO CCn1c(CCCC#N)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001341186584 1060478895 /nfs/dbraw/zinc/47/88/95/1060478895.db2.gz LJOVJRIATQLQQX-LEWJYISDSA-N 1 0 392.551 3.635 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC001451459524 1060779575 /nfs/dbraw/zinc/77/95/75/1060779575.db2.gz MUOHTAQKCBSQMX-FQEVSTJZSA-N 1 0 377.463 3.616 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001341780259 1060886589 /nfs/dbraw/zinc/88/65/89/1060886589.db2.gz HAINJCZVEUTPSV-RTBURBONSA-N 1 0 389.588 3.636 20 30 GHEDRO C=CCn1c(-c2ccc(C)nc2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001341959885 1060970679 /nfs/dbraw/zinc/97/06/79/1060970679.db2.gz YOKHNWNARAQZFW-UHFFFAOYSA-N 1 0 380.540 3.598 20 30 GHEDRO CC(C)(C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2)c1ccc(C#N)cc1 ZINC001341962810 1060971639 /nfs/dbraw/zinc/97/16/39/1060971639.db2.gz ASSSUQOQAWSABI-FQEVSTJZSA-N 1 0 389.499 3.680 20 30 GHEDRO C=CCn1c([C@H](CC)[C@H](C)O)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001341996577 1060987381 /nfs/dbraw/zinc/98/73/81/1060987381.db2.gz AXYBTCCSLCIZFB-RBUKOAKNSA-N 1 0 389.588 3.573 20 30 GHEDRO C=CCn1c([C@@H](CC)[C@@H](C)O)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001341996573 1060987513 /nfs/dbraw/zinc/98/75/13/1060987513.db2.gz AXYBTCCSLCIZFB-MOPGFXCFSA-N 1 0 389.588 3.573 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342012205 1060994892 /nfs/dbraw/zinc/99/48/92/1060994892.db2.gz AUTRXRUWVBWCJM-JFIYKMOQSA-N 1 0 391.510 3.820 20 30 GHEDRO CON=Cc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)cc1 ZINC001452769619 1061008085 /nfs/dbraw/zinc/00/80/85/1061008085.db2.gz JHVROTYOWKWFAH-OTWHNJEPSA-N 1 0 379.504 3.790 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001342224750 1061152458 /nfs/dbraw/zinc/15/24/58/1061152458.db2.gz JMTPUJPIICKGPW-RBUKOAKNSA-N 1 0 394.567 3.712 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC(C)=NN=C2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342241796 1061166838 /nfs/dbraw/zinc/16/68/38/1061166838.db2.gz HKQVBUOELFCOJW-IBGZPJMESA-N 1 0 397.571 3.633 20 30 GHEDRO C=C(C)Cn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CC=CCC1 ZINC001342272388 1061194993 /nfs/dbraw/zinc/19/49/93/1061194993.db2.gz YDUIPTBIJOSQMR-UHFFFAOYSA-N 1 0 378.524 3.708 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001345933932 1061214156 /nfs/dbraw/zinc/21/41/56/1061214156.db2.gz KCTINEDXWFNMIX-GOSISDBHSA-N 1 0 396.539 3.760 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2CC2CC2)CC1)CC(C)C ZINC001346054080 1061323883 /nfs/dbraw/zinc/32/38/83/1061323883.db2.gz LQLZGFAAYYOFFI-RTWAWAEBSA-N 1 0 398.599 3.900 20 30 GHEDRO C=C(C)Cn1c(CCCCC#N)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001346228486 1061463398 /nfs/dbraw/zinc/46/33/98/1061463398.db2.gz JKBBUOTZTREFOM-ICSRJNTNSA-N 1 0 382.556 3.544 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001346228838 1061466023 /nfs/dbraw/zinc/46/60/23/1061466023.db2.gz NBPAMGSHSRELNI-GUDVDZBRSA-N 1 0 387.572 3.590 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001346460362 1061578333 /nfs/dbraw/zinc/57/83/33/1061578333.db2.gz FEYYPIFWMHTMDL-UHFFFAOYSA-N 1 0 380.949 3.598 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361169565 1061681022 /nfs/dbraw/zinc/68/10/22/1061681022.db2.gz HFZMWFIBUNJCBD-HKUYNNGSSA-N 1 0 398.555 3.953 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001346670111 1061780119 /nfs/dbraw/zinc/78/01/19/1061780119.db2.gz FMNIURUDSSEYKA-FPOVZHCZSA-N 1 0 395.551 3.550 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC001455009292 1061976405 /nfs/dbraw/zinc/97/64/05/1061976405.db2.gz HWFFZHGJKVBXDO-NRFANRHFSA-N 1 0 394.515 3.502 20 30 GHEDRO C#CC[C@H](CC)c1nnc(Nc2cnn(C3CC[NH+](C)CC3)c2)n1CC(C)C ZINC001347714349 1062589727 /nfs/dbraw/zinc/58/97/27/1062589727.db2.gz UWYZCUBVXABFIH-KRWDZBQOSA-N 1 0 383.544 3.658 20 30 GHEDRO Cc1ccccc1[C@@H]1CCN(C(NCC2(O)CCOCC2)=[NH+]C2CCCCC2)C1 ZINC001347735549 1062608342 /nfs/dbraw/zinc/60/83/42/1062608342.db2.gz IBFRCMOKCURQGV-HXUWFJFHSA-N 1 0 399.579 3.604 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001348257812 1062968537 /nfs/dbraw/zinc/96/85/37/1062968537.db2.gz JRADOVRORIUUCK-QGZVFWFLSA-N 1 0 385.533 3.911 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C#N)ccc2C)CC1 ZINC001348430029 1063072017 /nfs/dbraw/zinc/07/20/17/1063072017.db2.gz LHAFNCVBYOCLOC-UHFFFAOYSA-N 1 0 382.895 3.914 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC001435996128 1063074291 /nfs/dbraw/zinc/07/42/91/1063074291.db2.gz ZIZDIWXNBVCGHA-GCJKJVERSA-N 1 0 379.504 3.598 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001435995597 1063074847 /nfs/dbraw/zinc/07/48/47/1063074847.db2.gz JVAZFPJRPDLXGU-QHCPKHFHSA-N 1 0 375.516 3.744 20 30 GHEDRO C[C@@H](CNc1ncc(C#N)c2ccsc21)[NH+]1CCN(c2ccccc2)CC1 ZINC001458111532 1063574513 /nfs/dbraw/zinc/57/45/13/1063574513.db2.gz JMVBXJRIDPVQDQ-INIZCTEOSA-N 1 0 377.517 3.791 20 30 GHEDRO C[C@H]1CCC[C@@](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)([NH+](C)C)C1 ZINC001458125128 1063584051 /nfs/dbraw/zinc/58/40/51/1063584051.db2.gz ZYQMDXRXTSWARZ-FKIZINRSSA-N 1 0 376.426 3.868 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1cc(C#N)c(Br)cn1 ZINC001458240105 1063686497 /nfs/dbraw/zinc/68/64/97/1063686497.db2.gz USUNAFVSFAGAQQ-UHFFFAOYSA-N 1 0 395.251 3.562 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3nc(C(C)(C)C)ccc3C#N)C2)cc(OC)c1 ZINC001458247616 1063692759 /nfs/dbraw/zinc/69/27/59/1063692759.db2.gz XCJRLPAFWGJELT-GOSISDBHSA-N 1 0 394.519 3.954 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3nc(C(C)(C)C)ccc3C#N)C2)cc(OC)c1 ZINC001458247624 1063694350 /nfs/dbraw/zinc/69/43/50/1063694350.db2.gz XCJRLPAFWGJELT-SFHVURJKSA-N 1 0 394.519 3.954 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)c(F)c1 ZINC001437014772 1063737696 /nfs/dbraw/zinc/73/76/96/1063737696.db2.gz CPDIEZCSMYHIIF-FPOVZHCZSA-N 1 0 381.426 3.718 20 30 GHEDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001349870579 1063931137 /nfs/dbraw/zinc/93/11/37/1063931137.db2.gz XDMVTBYJHZFXQI-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC001438321224 1064032374 /nfs/dbraw/zinc/03/23/74/1064032374.db2.gz FZSUKFBIPDJWTM-YLJYHZDGSA-N 1 0 391.490 3.613 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CC2)c1C#N ZINC001459438851 1064100051 /nfs/dbraw/zinc/10/00/51/1064100051.db2.gz KRCZLECBMICRKO-HXUWFJFHSA-N 1 0 380.467 3.918 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001459452584 1064102034 /nfs/dbraw/zinc/10/20/34/1064102034.db2.gz WAIFZKVVINQTLG-GOSISDBHSA-N 1 0 385.508 3.801 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001459605989 1064139675 /nfs/dbraw/zinc/13/96/75/1064139675.db2.gz FJHXPXJLWGWYKL-IBGZPJMESA-N 1 0 379.504 3.773 20 30 GHEDRO N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCC[N@@H+]3C3CCCC3)n2CC2CC2)C1 ZINC001351465060 1064461185 /nfs/dbraw/zinc/46/11/85/1064461185.db2.gz AJCRLUGYPFZZJW-NQIIRXRSSA-N 1 0 386.519 3.600 20 30 GHEDRO C=CCn1c(-c2ncc(CC)s2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001352153247 1064887908 /nfs/dbraw/zinc/88/79/08/1064887908.db2.gz YQSWUPTUJWSWLA-UHFFFAOYSA-N 1 0 386.569 3.605 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001352153156 1064888301 /nfs/dbraw/zinc/88/83/01/1064888301.db2.gz XIEYRCGLQOGYPD-IYHXRUFHSA-N 1 0 397.489 3.658 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC001464453887 1065019242 /nfs/dbraw/zinc/01/92/42/1065019242.db2.gz UNIGRAWEJKRJIE-CYBMUJFWSA-N 1 0 378.314 3.561 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(C)C ZINC001464867527 1065251808 /nfs/dbraw/zinc/25/18/08/1065251808.db2.gz BWUDKTWSGUXTBP-MJGOQNOKSA-N 1 0 376.928 3.706 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1CNC(=O)OC(C)(C)C ZINC001352848854 1065371043 /nfs/dbraw/zinc/37/10/43/1065371043.db2.gz DWRNSFTUAJRPLG-KRWDZBQOSA-N 1 0 387.524 3.900 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001465515766 1065682288 /nfs/dbraw/zinc/68/22/88/1065682288.db2.gz SGHHFKFOMAKIQR-JXXBKOHCSA-N 1 0 376.500 3.761 20 30 GHEDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC001465889082 1065911591 /nfs/dbraw/zinc/91/15/91/1065911591.db2.gz KEVSJDSSGFGYKA-LJQANCHMSA-N 1 0 385.899 3.702 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300280276 1065914542 /nfs/dbraw/zinc/91/45/42/1065914542.db2.gz AFBWKUMHBBBWJO-FXAWDEMLSA-N 1 0 391.519 3.861 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300308392 1065964879 /nfs/dbraw/zinc/96/48/79/1065964879.db2.gz BXYGAQCGLFWAKC-TZIWHRDSSA-N 1 0 379.552 3.599 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000847716628 1065969598 /nfs/dbraw/zinc/96/95/98/1065969598.db2.gz BSPYHAVMMAQYMR-KRWDZBQOSA-N 1 0 391.515 3.505 20 30 GHEDRO Cc1ccccc1OCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745693 1066010531 /nfs/dbraw/zinc/01/05/31/1066010531.db2.gz MPCUNVAFOVTNHF-UHFFFAOYSA-N 1 0 378.472 3.723 20 30 GHEDRO Cc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1C(C)(C)C ZINC000847745707 1066020221 /nfs/dbraw/zinc/02/02/21/1066020221.db2.gz MURGCBYXUJOJBF-UHFFFAOYSA-N 1 0 394.519 3.909 20 30 GHEDRO COc1ccc(OC)c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847745744 1066020921 /nfs/dbraw/zinc/02/09/21/1066020921.db2.gz OEQZCXZNHOLAQL-UHFFFAOYSA-N 1 0 394.471 3.667 20 30 GHEDRO CC(=O)[C@@H]1C[C@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000847747875 1066033872 /nfs/dbraw/zinc/03/38/72/1066033872.db2.gz RVAFYUIODDNUFX-VQTJNVASSA-N 1 0 382.504 3.587 20 30 GHEDRO N#CC1(COC(=O)Cc2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000847749603 1066035205 /nfs/dbraw/zinc/03/52/05/1066035205.db2.gz WEGHYMKFOWCEKE-UHFFFAOYSA-N 1 0 384.426 3.856 20 30 GHEDRO Cc1noc(C)c1[C@H](C)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748835 1066038026 /nfs/dbraw/zinc/03/80/26/1066038026.db2.gz JHVCCEDYVNZJLB-INIZCTEOSA-N 1 0 381.476 3.744 20 30 GHEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001300349708 1066067770 /nfs/dbraw/zinc/06/77/70/1066067770.db2.gz XVWNPXJFJKABJX-LJQANCHMSA-N 1 0 379.552 3.841 20 30 GHEDRO Cc1nsc(NC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001466467867 1066165438 /nfs/dbraw/zinc/16/54/38/1066165438.db2.gz QQTHLAVFDBVTMA-QGZVFWFLSA-N 1 0 383.521 3.890 20 30 GHEDRO Cc1nsc(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1C#N ZINC001466466736 1066165569 /nfs/dbraw/zinc/16/55/69/1066165569.db2.gz UBNOBJVJIQVBSL-UHFFFAOYSA-N 1 0 376.445 3.882 20 30 GHEDRO CCC[C@@H]1CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[N@@H+]1CCOC ZINC001466649010 1066233600 /nfs/dbraw/zinc/23/36/00/1066233600.db2.gz VRPFZEYZTVDNIH-OAHLLOKOSA-N 1 0 392.569 3.882 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1nc(Cl)c(C#N)s1)c1ccccc1 ZINC001466806245 1066326325 /nfs/dbraw/zinc/32/63/25/1066326325.db2.gz NFEPYPFKVHJWSA-NSHDSACASA-N 1 0 377.901 3.919 20 30 GHEDRO C=CCC[C@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001357294711 1067035755 /nfs/dbraw/zinc/03/57/55/1067035755.db2.gz FRVBONXPVRNPHT-SFHVURJKSA-N 1 0 384.442 3.940 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)c(C#N)c1 ZINC001467174071 1067121305 /nfs/dbraw/zinc/12/13/05/1067121305.db2.gz ZNXGHKCJGJGXID-IBGZPJMESA-N 1 0 392.503 3.943 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC001467196944 1067143455 /nfs/dbraw/zinc/14/34/55/1067143455.db2.gz ZUKQFWUGKJCTNU-MAUKXSAKSA-N 1 0 396.457 3.973 20 30 GHEDRO C#CCOc1ccccc1NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001467212020 1067155967 /nfs/dbraw/zinc/15/59/67/1067155967.db2.gz FQNIAVKWAPKHTF-HXUWFJFHSA-N 1 0 390.487 3.627 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)cc2)C1 ZINC001467311644 1067217883 /nfs/dbraw/zinc/21/78/83/1067217883.db2.gz KEXSTEJMKASIIO-WMLDXEAASA-N 1 0 382.430 3.562 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)C(C)C ZINC001467660521 1067404742 /nfs/dbraw/zinc/40/47/42/1067404742.db2.gz RFRSMZOSJVFHDK-JOCHJYFZSA-N 1 0 380.536 3.519 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC001467727491 1067440063 /nfs/dbraw/zinc/44/00/63/1067440063.db2.gz JCXIUAKXEVQCLK-UHFFFAOYSA-N 1 0 389.503 3.514 20 30 GHEDRO C#CCC1(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CCCCC1 ZINC001467864207 1067504930 /nfs/dbraw/zinc/50/49/30/1067504930.db2.gz KHZDMUGEWOSDDT-WOJBJXKFSA-N 1 0 397.563 3.821 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)Cc1cc2c(cc1Br)OCCCO2 ZINC001473431971 1067559423 /nfs/dbraw/zinc/55/94/23/1067559423.db2.gz NBAVIFYSWUISMD-UHFFFAOYSA-N 1 0 383.330 3.550 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001358879514 1067591950 /nfs/dbraw/zinc/59/19/50/1067591950.db2.gz SOPMNTBCRBVKPS-INIZCTEOSA-N 1 0 385.943 3.931 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001358904453 1067606007 /nfs/dbraw/zinc/60/60/07/1067606007.db2.gz DXVBDZKDWVTPEQ-UHFFFAOYSA-N 1 0 379.552 3.917 20 30 GHEDRO C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001358907000 1067606939 /nfs/dbraw/zinc/60/69/39/1067606939.db2.gz AAAQOFGLAYDOEZ-GOSISDBHSA-N 1 0 395.551 3.961 20 30 GHEDRO C#CCCCn1c(C(C)C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001358919814 1067613593 /nfs/dbraw/zinc/61/35/93/1067613593.db2.gz LELLYOSYXRPTCP-UHFFFAOYSA-N 1 0 383.515 3.666 20 30 GHEDRO C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001358923092 1067614796 /nfs/dbraw/zinc/61/47/96/1067614796.db2.gz BGYAJFSVOIMXKX-WIYYLYMNSA-N 1 0 377.536 3.594 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001358945206 1067625237 /nfs/dbraw/zinc/62/52/37/1067625237.db2.gz XSTRQFKPLRBZJF-QGZVFWFLSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001358974421 1067632520 /nfs/dbraw/zinc/63/25/20/1067632520.db2.gz DFYXWWWFWKEYQH-NRFANRHFSA-N 1 0 389.547 3.530 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359010890 1067651291 /nfs/dbraw/zinc/65/12/91/1067651291.db2.gz CWLXHHOJEFAMJM-NRFANRHFSA-N 1 0 381.568 3.613 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CC1([NH+](C)C)CCCC1 ZINC001359068245 1067669090 /nfs/dbraw/zinc/66/90/90/1067669090.db2.gz SYGMNABRFTXLQM-JOCHJYFZSA-N 1 0 377.536 3.812 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCC1CC[NH+](CC)CC1 ZINC001359112537 1067691026 /nfs/dbraw/zinc/69/10/26/1067691026.db2.gz MHBCCTQXRVDCAL-HXUWFJFHSA-N 1 0 389.588 3.697 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359118499 1067695828 /nfs/dbraw/zinc/69/58/28/1067695828.db2.gz MQDMIPVXRBXEIF-LJQANCHMSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCC2)CC1 ZINC001359176829 1067735399 /nfs/dbraw/zinc/73/53/99/1067735399.db2.gz PIWFXIDWQOIOHQ-UHFFFAOYSA-N 1 0 383.515 3.973 20 30 GHEDRO C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001468642330 1067802007 /nfs/dbraw/zinc/80/20/07/1067802007.db2.gz UQLBHVWHLVDMDQ-FGTMMUONSA-N 1 0 394.494 3.890 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359231732 1067833692 /nfs/dbraw/zinc/83/36/92/1067833692.db2.gz DNLSSKTXHGBTNC-IAGOWNOFSA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@H+](C)C1CCCC1 ZINC001359236128 1067840502 /nfs/dbraw/zinc/84/05/02/1067840502.db2.gz ZUSSPQSLRGJHCC-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(OC)cc2)n1CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC001359248154 1067887505 /nfs/dbraw/zinc/88/75/05/1067887505.db2.gz CELVGWVBZSWUPD-KRWDZBQOSA-N 1 0 381.524 3.593 20 30 GHEDRO COc1cccc2c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)coc21 ZINC001360036005 1068324210 /nfs/dbraw/zinc/32/42/10/1068324210.db2.gz ZMCVFFGXBLVWSV-UHFFFAOYSA-N 1 0 377.444 3.517 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCC2)C1 ZINC001360107002 1068363542 /nfs/dbraw/zinc/36/35/42/1068363542.db2.gz YVOBRRVFTFSCKN-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC001469768283 1068372211 /nfs/dbraw/zinc/37/22/11/1068372211.db2.gz MMOZNUBVIVXRFG-UHFFFAOYSA-N 1 0 375.410 3.798 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001360467075 1068518328 /nfs/dbraw/zinc/51/83/28/1068518328.db2.gz LEGHIFDKDIQDSS-GOSISDBHSA-N 1 0 394.567 3.958 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCC1(C#N)CCCCC1 ZINC001478139664 1078738720 /nfs/dbraw/zinc/73/87/20/1078738720.db2.gz VNBKQVQAAVIQNQ-OALUTQOASA-N 1 0 382.552 3.916 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001470106653 1068575575 /nfs/dbraw/zinc/57/55/75/1068575575.db2.gz WSRFOUNUCHYDQZ-PGRDOPGGSA-N 1 0 393.572 3.569 20 30 GHEDRO C[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC001360599964 1068577190 /nfs/dbraw/zinc/57/71/90/1068577190.db2.gz ZKLMRGDEOQOOGQ-GOSISDBHSA-N 1 0 392.551 3.786 20 30 GHEDRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001460135850 1068803272 /nfs/dbraw/zinc/80/32/72/1068803272.db2.gz AHRQEWAEPKFTLE-INIZCTEOSA-N 1 0 382.895 3.751 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC001460364710 1068944171 /nfs/dbraw/zinc/94/41/71/1068944171.db2.gz RJIMCTABRKWKGR-CYBMUJFWSA-N 1 0 384.261 3.518 20 30 GHEDRO C=CCCCCC[N@H+]1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 ZINC001460768051 1069166668 /nfs/dbraw/zinc/16/66/68/1069166668.db2.gz AHKAUYUMSNETFK-LLGFUMIMSA-N 1 0 380.529 3.511 20 30 GHEDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCCOc2ccc(C#N)cc2)n1C ZINC001460941937 1069287664 /nfs/dbraw/zinc/28/76/64/1069287664.db2.gz APOYMMCFNOOOJI-HXUWFJFHSA-N 1 0 381.476 3.679 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccc(Cl)cc1 ZINC001470663118 1072675159 /nfs/dbraw/zinc/67/51/59/1072675159.db2.gz OFQTZXPDUGAXOP-RTWAWAEBSA-N 1 0 381.907 3.896 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@](C)(c1ccc(Br)cc1)C(C)C ZINC001478736849 1078971191 /nfs/dbraw/zinc/97/11/91/1078971191.db2.gz QBADHGXHGZQKCI-LJQANCHMSA-N 1 0 394.357 3.575 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001478766279 1078980145 /nfs/dbraw/zinc/98/01/45/1078980145.db2.gz NRFLGSHBHJXGLS-GCJKJVERSA-N 1 0 388.515 3.900 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001471035789 1072895666 /nfs/dbraw/zinc/89/56/66/1072895666.db2.gz GMIPWVKFSCIVTL-IBGZPJMESA-N 1 0 391.298 3.795 20 30 GHEDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(C)n1-c1ccc(C#N)cc1 ZINC001472350066 1073439028 /nfs/dbraw/zinc/43/90/28/1073439028.db2.gz OFFBXARZPRQAFD-ONTIZHBOSA-N 1 0 390.531 3.768 20 30 GHEDRO COc1cccc(N2CC[NH+](CCSCCc3ccc(C#N)cc3)CC2)c1 ZINC001473084587 1073775326 /nfs/dbraw/zinc/77/53/26/1073775326.db2.gz GYDFOYSWACYTKV-UHFFFAOYSA-N 1 0 381.545 3.665 20 30 GHEDRO COCC[N@H+](CCCc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473136548 1073799485 /nfs/dbraw/zinc/79/94/85/1073799485.db2.gz IHHJRWASPAETSC-HSZRJFAPSA-N 1 0 391.515 3.635 20 30 GHEDRO COCC[N@H+](CCCc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473136549 1073799755 /nfs/dbraw/zinc/79/97/55/1073799755.db2.gz IHHJRWASPAETSC-QHCPKHFHSA-N 1 0 391.515 3.635 20 30 GHEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001473368519 1073937150 /nfs/dbraw/zinc/93/71/50/1073937150.db2.gz REAXGINVVJASLS-GOSISDBHSA-N 1 0 389.484 3.750 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC001473373183 1073938529 /nfs/dbraw/zinc/93/85/29/1073938529.db2.gz PVZNXJCNPLTXBL-QFIPXVFZSA-N 1 0 376.504 3.704 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1 ZINC001473396462 1073948532 /nfs/dbraw/zinc/94/85/32/1073948532.db2.gz WUDREJIZMPWEPR-HXUWFJFHSA-N 1 0 386.499 3.758 20 30 GHEDRO C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1Cc1ccccc1 ZINC001473455398 1073972074 /nfs/dbraw/zinc/97/20/74/1073972074.db2.gz YOBDEETXPDEKFA-LJQANCHMSA-N 1 0 384.321 3.679 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)c1 ZINC001473466133 1073979002 /nfs/dbraw/zinc/97/90/02/1073979002.db2.gz YZCDIWJWUDGSBW-UWJYYQICSA-N 1 0 375.472 3.789 20 30 GHEDRO C#CCN(C[C@@H]1CCCC[N@H+]1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473797287 1074146931 /nfs/dbraw/zinc/14/69/31/1074146931.db2.gz NGRZZNCWNQWRDP-FQEVSTJZSA-N 1 0 377.573 3.584 20 30 GHEDRO C=CCC1(O)CCN([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC001473808314 1074153738 /nfs/dbraw/zinc/15/37/38/1074153738.db2.gz DGIRXAJRYUCRED-MRXNPFEDSA-N 1 0 385.533 3.849 20 30 GHEDRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001473854504 1074177398 /nfs/dbraw/zinc/17/73/98/1074177398.db2.gz FYMASKXFZNWPNI-LJQANCHMSA-N 1 0 393.487 3.686 20 30 GHEDRO C[C@](CO)([NH2+]Cc1cc(Cl)cc(C#N)c1)c1cccc(Br)c1 ZINC001473866616 1074181805 /nfs/dbraw/zinc/18/18/05/1074181805.db2.gz YVAILKPLYMIKMM-QGZVFWFLSA-N 1 0 379.685 3.971 20 30 GHEDRO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473877237 1074187475 /nfs/dbraw/zinc/18/74/75/1074187475.db2.gz LXSKCNHYDPTUIK-QUCCMNQESA-N 1 0 388.943 3.735 20 30 GHEDRO C[Si](C)(C)c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001474166355 1074281533 /nfs/dbraw/zinc/28/15/33/1074281533.db2.gz DDDRERLGVVWHSO-UHFFFAOYSA-N 1 0 377.608 3.858 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC001474359909 1074362488 /nfs/dbraw/zinc/36/24/88/1074362488.db2.gz GKQZLUBKICNWHS-QFIPXVFZSA-N 1 0 375.472 3.953 20 30 GHEDRO C#C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)C(C)(C)C ZINC001474563452 1074465063 /nfs/dbraw/zinc/46/50/63/1074465063.db2.gz PSKVAWPYPBDDIP-SWLSCSKDSA-N 1 0 378.538 3.896 20 30 GHEDRO CCCCCCCS(=O)(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001474914654 1074630482 /nfs/dbraw/zinc/63/04/82/1074630482.db2.gz WSGSLUQJKHCNLN-QGZVFWFLSA-N 1 0 399.576 3.528 20 30 GHEDRO CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001493909885 1079307632 /nfs/dbraw/zinc/30/76/32/1079307632.db2.gz UAZFBNYIZCYGLO-IBGZPJMESA-N 1 0 392.551 3.785 20 30 GHEDRO CC1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001494082724 1079321232 /nfs/dbraw/zinc/32/12/32/1079321232.db2.gz PVYKGHGINVIHFW-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C(C)C ZINC001475888571 1075041598 /nfs/dbraw/zinc/04/15/98/1075041598.db2.gz BRPYTQJTCMRWES-HNNXBMFYSA-N 1 0 381.423 3.828 20 30 GHEDRO C[NH2+]C1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCC1 ZINC001475982973 1075063203 /nfs/dbraw/zinc/06/32/03/1075063203.db2.gz JZEMVLAABIUXNF-UHFFFAOYSA-N 1 0 378.476 3.595 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC001476200792 1075102884 /nfs/dbraw/zinc/10/28/84/1075102884.db2.gz AXBPQHOBYZBMAG-VQTJNVASSA-N 1 0 391.475 3.884 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001476224032 1075106350 /nfs/dbraw/zinc/10/63/50/1075106350.db2.gz PBYVCHJVRCMXJM-QGZVFWFLSA-N 1 0 383.467 3.870 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001495098966 1079382893 /nfs/dbraw/zinc/38/28/93/1079382893.db2.gz BLBPVZUCJZEJIJ-YLJYHZDGSA-N 1 0 380.540 3.784 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1[C@@H]1C[C@H]1C ZINC001495653890 1079426154 /nfs/dbraw/zinc/42/61/54/1079426154.db2.gz OESPEAVQMDCFRJ-WAOWUJCRSA-N 1 0 392.551 3.956 20 30 GHEDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(Br)cc1C#N ZINC001648466417 1126250517 /nfs/dbraw/zinc/25/05/17/1126250517.db2.gz HJIIJLXUFNJBLK-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C1 ZINC000828161827 601300633 /nfs/dbraw/zinc/30/06/33/601300633.db2.gz PLRGSAKHUUQSSK-PNCHPQGNSA-N 1 0 391.515 3.952 20 30 GHEDRO N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000833073542 601323639 /nfs/dbraw/zinc/32/36/39/601323639.db2.gz DNNBCFPFIUTDNR-UPVQGACJSA-N 1 0 389.499 3.672 20 30 GHEDRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)C[C@@H]21 ZINC001164667764 719482910 /nfs/dbraw/zinc/48/29/10/719482910.db2.gz MQRRKAPWYPNGGK-XZOQPEGZSA-N 1 0 396.494 3.806 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH]ccc4ncc(C#N)c2-4)CC3)cs1 ZINC001164692194 719812805 /nfs/dbraw/zinc/81/28/05/719812805.db2.gz NSPTXQZDEPNNJM-UHFFFAOYSA-N 1 0 392.532 3.835 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(Cl)c1C#N)[C@H]2C ZINC001164861263 721017082 /nfs/dbraw/zinc/01/70/82/721017082.db2.gz NWWJYRZGDSDQET-LBPRGKRZSA-N 1 0 393.322 3.878 20 30 GHEDRO Cc1ccc(CC#N)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795746 721501894 /nfs/dbraw/zinc/50/18/94/721501894.db2.gz LNEZNLOBENBJKK-UHFFFAOYSA-N 1 0 375.520 3.732 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]21 ZINC001165022129 721802260 /nfs/dbraw/zinc/80/22/60/721802260.db2.gz HZXIFAYJOWSYEO-ILZDJORESA-N 1 0 381.911 3.739 20 30 GHEDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1CC#N ZINC001165029674 721825950 /nfs/dbraw/zinc/82/59/50/721825950.db2.gz XLCVZDDERLGXRN-NNWRFLSQSA-N 1 0 375.520 3.588 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001165033439 721862016 /nfs/dbraw/zinc/86/20/16/721862016.db2.gz OVPRACDURFDKTL-UHFFFAOYSA-N 1 0 383.883 3.859 20 30 GHEDRO C=C1CCN(C(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000892637348 837418039 /nfs/dbraw/zinc/41/80/39/837418039.db2.gz OBVRALOZQULUQK-UHFFFAOYSA-N 1 0 380.492 3.668 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cn1)C[C@H](O)COc1cccc2ccccc21 ZINC000581259093 837489777 /nfs/dbraw/zinc/48/97/77/837489777.db2.gz XTILZGRUNIWCJS-NRFANRHFSA-N 1 0 375.472 3.757 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000511471352 837511730 /nfs/dbraw/zinc/51/17/30/837511730.db2.gz BADSBYQEIGWEQR-SFHVURJKSA-N 1 0 379.479 3.702 20 30 GHEDRO CCCCOc1ccc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1OC ZINC000581420109 837514069 /nfs/dbraw/zinc/51/40/69/837514069.db2.gz UURBYILNLSEGKQ-HNNXBMFYSA-N 1 0 379.464 3.639 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000180812917 837586065 /nfs/dbraw/zinc/58/60/65/837586065.db2.gz SUGQKWZNWRDINN-OXJNMPFZSA-N 1 0 391.475 3.808 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000180892896 837666769 /nfs/dbraw/zinc/66/67/69/837666769.db2.gz GOPMCVNZFRIFAC-KRWDZBQOSA-N 1 0 391.496 3.745 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180124168 837687505 /nfs/dbraw/zinc/68/75/05/837687505.db2.gz VAWPTWJVDAVFNU-GOSISDBHSA-N 1 0 389.478 3.714 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1Cl ZINC000188825804 837750267 /nfs/dbraw/zinc/75/02/67/837750267.db2.gz LSCJJWANXSWZQA-UHFFFAOYSA-N 1 0 381.863 3.924 20 30 GHEDRO N#Cc1ccsc1NC(=O)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375750976 834600372 /nfs/dbraw/zinc/60/03/72/834600372.db2.gz POEARWYFILIPHR-JOCHJYFZSA-N 1 0 394.544 3.546 20 30 GHEDRO CC(C)C(=O)N1CCCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000329246072 834629396 /nfs/dbraw/zinc/62/93/96/834629396.db2.gz QXFYKUMRSDIOFH-SFHVURJKSA-N 1 0 395.613 3.732 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278771926 834639271 /nfs/dbraw/zinc/63/92/71/834639271.db2.gz YHDZBPCBSOJMBG-VXKWHMMOSA-N 1 0 387.487 3.869 20 30 GHEDRO Cc1ccc(OCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278774189 834741989 /nfs/dbraw/zinc/74/19/89/834741989.db2.gz YMJZHSAKUULNNC-UHFFFAOYSA-N 1 0 375.476 3.726 20 30 GHEDRO C[C@]1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)OCCc2sccc21 ZINC000262348053 834782339 /nfs/dbraw/zinc/78/23/39/834782339.db2.gz FFVZGOFDTNFIJZ-MRXNPFEDSA-N 1 0 385.411 3.861 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001125736799 835014304 /nfs/dbraw/zinc/01/43/04/835014304.db2.gz RYBDEDSLAIIUQE-QGZVFWFLSA-N 1 0 383.305 3.976 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)CC1 ZINC000187695399 835027596 /nfs/dbraw/zinc/02/75/96/835027596.db2.gz RUSWUCDOSGUBGS-HNNXBMFYSA-N 1 0 377.357 3.518 20 30 GHEDRO C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548811724 835053079 /nfs/dbraw/zinc/05/30/79/835053079.db2.gz GYNHYMJKLUNUKU-RXVVDRJESA-N 1 0 388.515 3.757 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246904527 835056202 /nfs/dbraw/zinc/05/62/02/835056202.db2.gz HHCUQRINDHIAFK-RXVVDRJESA-N 1 0 397.544 3.540 20 30 GHEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000685533456 835126292 /nfs/dbraw/zinc/12/62/92/835126292.db2.gz SMEWQDBBDPZXQA-NRFANRHFSA-N 1 0 387.531 3.881 20 30 GHEDRO Cc1ccn(-c2ccccc2C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000433330592 844021366 /nfs/dbraw/zinc/02/13/66/844021366.db2.gz XEQYTMAJJJYIJV-UHFFFAOYSA-N 1 0 397.486 3.643 20 30 GHEDRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)CC(C)(C)C#N)cc1Br ZINC000926537442 835204761 /nfs/dbraw/zinc/20/47/61/835204761.db2.gz KCFHACOASAVQHL-UKRRQHHQSA-N 1 0 383.330 3.527 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(CN3CCCC3=O)c2)c(O)c1 ZINC000254955498 835386255 /nfs/dbraw/zinc/38/62/55/835386255.db2.gz NDMGJEOVWCAGDW-JLPGSUDCSA-N 1 0 379.504 3.980 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000254959732 835421617 /nfs/dbraw/zinc/42/16/17/835421617.db2.gz JUGRJGFKBYKEHO-YBNHLDJLSA-N 1 0 384.520 3.750 20 30 GHEDRO C=CCOCCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000658210360 835511091 /nfs/dbraw/zinc/51/10/91/835511091.db2.gz QYVNJGDOKLOQFU-JOCHJYFZSA-N 1 0 387.545 3.979 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892430036 835539886 /nfs/dbraw/zinc/53/98/86/835539886.db2.gz YSUFMNMXDHGVJG-SFHVURJKSA-N 1 0 382.533 3.673 20 30 GHEDRO CCOc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000278626000 835575968 /nfs/dbraw/zinc/57/59/68/835575968.db2.gz KCWUHFGQYLYVOX-UHFFFAOYSA-N 1 0 379.439 3.686 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)o1 ZINC000611804959 835648981 /nfs/dbraw/zinc/64/89/81/835648981.db2.gz PLZCBKBVFYHNQW-UHFFFAOYSA-N 1 0 397.866 3.506 20 30 GHEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(=O)Nc1nccs1 ZINC000179436931 835711534 /nfs/dbraw/zinc/71/15/34/835711534.db2.gz MLUXNGOTCWUQKF-GOSISDBHSA-N 1 0 385.537 3.636 20 30 GHEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000120437673 844083848 /nfs/dbraw/zinc/08/38/48/844083848.db2.gz MJBLNIYFTZUGCK-UHFFFAOYSA-N 1 0 389.908 3.503 20 30 GHEDRO Cc1nc(COc2ccc(C[NH2+]CCSCc3ccccc3C#N)cc2)no1 ZINC000165024408 835846637 /nfs/dbraw/zinc/84/66/37/835846637.db2.gz IQHDMQLGXRPIBO-UHFFFAOYSA-N 1 0 394.500 3.852 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000188275812 835871906 /nfs/dbraw/zinc/87/19/06/835871906.db2.gz YTMDWOHGFQLVSN-QFIPXVFZSA-N 1 0 387.524 3.668 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000102752990 835871981 /nfs/dbraw/zinc/87/19/81/835871981.db2.gz CQVFQIMBOZQUDA-GOSISDBHSA-N 1 0 381.476 3.580 20 30 GHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000179628122 835898156 /nfs/dbraw/zinc/89/81/56/835898156.db2.gz RULBIDHYYAPWKJ-SFHVURJKSA-N 1 0 392.912 3.834 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000120653620 835953049 /nfs/dbraw/zinc/95/30/49/835953049.db2.gz OTMWAOOYITTXMG-QRWLVFNGSA-N 1 0 381.451 3.902 20 30 GHEDRO CCOc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)ccc1OC ZINC000278786821 835987200 /nfs/dbraw/zinc/98/72/00/835987200.db2.gz ZQRYEDHCUWTUNY-UHFFFAOYSA-N 1 0 391.475 3.556 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H]2c3ccccc3CC23CCOCC3)c(C#N)c1C ZINC000290145365 836085925 /nfs/dbraw/zinc/08/59/25/836085925.db2.gz NCSHFDQPYKUSLW-QRWLVFNGSA-N 1 0 393.487 3.779 20 30 GHEDRO N#CCCC[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000431819241 836242103 /nfs/dbraw/zinc/24/21/03/836242103.db2.gz YLJDOTBWEKTHFL-JOCHJYFZSA-N 1 0 391.519 3.780 20 30 GHEDRO CC(C)COc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065931361 836252599 /nfs/dbraw/zinc/25/25/99/836252599.db2.gz WMGZSYGIFVILMZ-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO C[C@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)[N@@H+]1CCc2ccccc2C1 ZINC000610245926 836267351 /nfs/dbraw/zinc/26/73/51/836267351.db2.gz WMXJRDLMWUFPDB-CQSZACIVSA-N 1 0 378.426 3.665 20 30 GHEDRO O=C(CN1CCCC[C@H]1c1nc2ccccc2o1)NC1CC[NH+](C2CC2)CC1 ZINC000329964210 836321420 /nfs/dbraw/zinc/32/14/20/836321420.db2.gz QNKCTNBOOVNTTF-IBGZPJMESA-N 1 0 382.508 3.938 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccc(C#N)cc1 ZINC000548936119 836346931 /nfs/dbraw/zinc/34/69/31/836346931.db2.gz KFFLFDIEQRJHGY-YWZLYKJASA-N 1 0 376.485 3.571 20 30 GHEDRO N#Cc1cccc(-c2noc([C@@H](c3ccc4ccccc4c3)N3CC[C@H]([NH3+])C3)n2)c1 ZINC001211817896 844158288 /nfs/dbraw/zinc/15/82/88/844158288.db2.gz WXVDSKXXDFCOCN-FCHUYYIVSA-N 1 0 395.466 3.884 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178158780 836434921 /nfs/dbraw/zinc/43/49/21/836434921.db2.gz CCJRKMWXAJARQS-UHFFFAOYSA-N 1 0 396.466 3.557 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1OCCCC#N ZINC000375997765 836464300 /nfs/dbraw/zinc/46/43/00/836464300.db2.gz CERVWOAIMGGZAN-UHFFFAOYSA-N 1 0 386.521 3.593 20 30 GHEDRO Cn1cc(CN(Cc2ccco2)C[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000179977995 836494874 /nfs/dbraw/zinc/49/48/74/836494874.db2.gz ZHZVDBMWDBKHPY-NRFANRHFSA-N 1 0 376.460 3.733 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2ccsc2)CC1 ZINC000548953640 836581687 /nfs/dbraw/zinc/58/16/87/836581687.db2.gz XNSGUMYEMQCZPI-UHFFFAOYSA-N 1 0 397.523 3.578 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549724205 844180255 /nfs/dbraw/zinc/18/02/55/844180255.db2.gz FGUHUONGOAVDLU-QGZVFWFLSA-N 1 0 399.514 3.808 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000549725055 844183122 /nfs/dbraw/zinc/18/31/22/844183122.db2.gz YGRBEHZJNPPIQZ-UHFFFAOYSA-N 1 0 391.441 3.824 20 30 GHEDRO N#Cc1cc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001167162882 836741289 /nfs/dbraw/zinc/74/12/89/836741289.db2.gz OFDIRICVJUANOT-UHFFFAOYSA-N 1 0 399.454 3.656 20 30 GHEDRO N#Cc1cc(Cl)nc(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)c1 ZINC001167166673 836758607 /nfs/dbraw/zinc/75/86/07/836758607.db2.gz GYRAMITXJRTDRS-UHFFFAOYSA-N 1 0 388.656 3.621 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000247101731 836823058 /nfs/dbraw/zinc/82/30/58/836823058.db2.gz SJAHREKOAKJKGK-UYAOXDASSA-N 1 0 383.536 3.829 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180282368 836939294 /nfs/dbraw/zinc/93/92/94/836939294.db2.gz NWKBHMRUJKNNSO-FQEVSTJZSA-N 1 0 391.906 3.981 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000413981893 837007021 /nfs/dbraw/zinc/00/70/21/837007021.db2.gz DZKZFHNRIHIGMZ-XMMPIXPASA-N 1 0 392.543 3.808 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1ccc(C#N)cc1 ZINC000180431318 837252154 /nfs/dbraw/zinc/25/21/54/837252154.db2.gz SBCQTKMMIKUVAU-UHFFFAOYSA-N 1 0 376.504 3.651 20 30 GHEDRO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)sc2c1CCC2 ZINC000580100119 837268096 /nfs/dbraw/zinc/26/80/96/837268096.db2.gz MJJRNYOQUTWJMH-ZDUSSCGKSA-N 1 0 397.500 3.574 20 30 GHEDRO CCC[N@H+](CC)CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000175750591 837288737 /nfs/dbraw/zinc/28/87/37/837288737.db2.gz SLMOZNSAVSYTRS-UHFFFAOYSA-N 1 0 393.491 3.664 20 30 GHEDRO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)ccc1N(C)C ZINC001167298496 837869488 /nfs/dbraw/zinc/86/94/88/837869488.db2.gz RJIFKBPQDIWZJE-UHFFFAOYSA-N 1 0 385.515 3.803 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(-n2cncn2)cc1 ZINC000181224277 837873918 /nfs/dbraw/zinc/87/39/18/837873918.db2.gz MZHNJHPKQMVUFC-CYBMUJFWSA-N 1 0 382.265 3.752 20 30 GHEDRO COc1cccc([C@@H](C)CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000177137263 837878535 /nfs/dbraw/zinc/87/85/35/837878535.db2.gz ARZOPBZUFIHLMK-SFHVURJKSA-N 1 0 379.504 3.651 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177253787 837897770 /nfs/dbraw/zinc/89/77/70/837897770.db2.gz HWLKJONEKFZTBL-JOCHJYFZSA-N 1 0 383.536 3.875 20 30 GHEDRO CC(C)(C)OC(=O)N(CCNC(=[NH2+])Nc1ccccn1)C1CCCCCC1 ZINC000177067515 837914549 /nfs/dbraw/zinc/91/45/49/837914549.db2.gz OUNHTYUDAXPMQU-UHFFFAOYSA-N 1 0 375.517 3.768 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000181282960 837917865 /nfs/dbraw/zinc/91/78/65/837917865.db2.gz KGVYERYSLJCEEC-QGZVFWFLSA-N 1 0 391.496 3.745 20 30 GHEDRO N#Cc1cc(NC(=O)N(CCC[NH3+])Cc2ccccc2)ccc1OC(F)(F)F ZINC000415664039 837961124 /nfs/dbraw/zinc/96/11/24/837961124.db2.gz ZSOVJWQBWASLSI-UHFFFAOYSA-N 1 0 392.381 3.840 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)n(-c2ccc(C#N)cc2)n1 ZINC000415708056 838008030 /nfs/dbraw/zinc/00/80/30/838008030.db2.gz WRLXHPVPRLTLTL-IRXDYDNUSA-N 1 0 394.523 3.680 20 30 GHEDRO C=CCc1cc(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc(OC)c1OC ZINC000659253205 838018998 /nfs/dbraw/zinc/01/89/98/838018998.db2.gz NVOVUCMLMKGNAV-FQEVSTJZSA-N 1 0 394.515 3.741 20 30 GHEDRO CC1CCC([NH+]2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)CC1 ZINC000115565309 838028176 /nfs/dbraw/zinc/02/81/76/838028176.db2.gz KNHMYDDPZVAAKS-UHFFFAOYSA-N 1 0 392.547 3.934 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000609110150 838121734 /nfs/dbraw/zinc/12/17/34/838121734.db2.gz TYPUDBOJYSQXCE-HSZRJFAPSA-N 1 0 394.563 3.642 20 30 GHEDRO C[NH+]=C(NCc1ccc(F)cc1CSC)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000261748734 844294876 /nfs/dbraw/zinc/29/48/76/844294876.db2.gz LOAFGVQRLPZUIQ-RCCFBDPRSA-N 1 0 379.545 3.557 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415808394 838137019 /nfs/dbraw/zinc/13/70/19/838137019.db2.gz SKTNHYZNLLACOQ-CYBMUJFWSA-N 1 0 382.302 3.607 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415812227 838139812 /nfs/dbraw/zinc/13/98/12/838139812.db2.gz ZYTBCIQSJFQNCF-QEJZJMRPSA-N 1 0 394.313 3.605 20 30 GHEDRO C=CCC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000655920861 838218363 /nfs/dbraw/zinc/21/83/63/838218363.db2.gz LIPXUEHFYQTKKK-CHWSQXEVSA-N 1 0 383.336 3.902 20 30 GHEDRO Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C[NH+](C)C)c1 ZINC000177925820 838248933 /nfs/dbraw/zinc/24/89/33/838248933.db2.gz ZRXVKBWORGELNF-UHFFFAOYSA-N 1 0 397.422 3.748 20 30 GHEDRO Cc1cc(NC(=O)CCCCOc2cccc(C#N)c2)n(C2CC[NH+](C)CC2)n1 ZINC000430462360 838263431 /nfs/dbraw/zinc/26/34/31/838263431.db2.gz HRJZSVHXTGIBLW-UHFFFAOYSA-N 1 0 395.507 3.518 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000415928171 838285984 /nfs/dbraw/zinc/28/59/84/838285984.db2.gz FQOALOZDNWAHNN-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025260833 844315882 /nfs/dbraw/zinc/31/58/82/844315882.db2.gz MOGZNYMUGBBCKL-QGZVFWFLSA-N 1 0 394.393 3.523 20 30 GHEDRO C[C@H](CN1CCOCC1)[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC001167330182 838431353 /nfs/dbraw/zinc/43/13/53/838431353.db2.gz XGCBSFNPEAMZHR-HXUWFJFHSA-N 1 0 382.935 3.914 20 30 GHEDRO C=CC[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000187959535 838436968 /nfs/dbraw/zinc/43/69/68/838436968.db2.gz XQLIKIGZVZCPFT-QFIPXVFZSA-N 1 0 391.515 3.811 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CCCCC1 ZINC000175855421 838539975 /nfs/dbraw/zinc/53/99/75/838539975.db2.gz KIFDNBIXQUZCRF-MSOLQXFVSA-N 1 0 389.565 3.759 20 30 GHEDRO C[C@]1(c2ccccc2)C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000610353042 838637998 /nfs/dbraw/zinc/63/79/98/838637998.db2.gz SQSYUHJEKHBRTF-ISKFKSNPSA-N 1 0 388.515 3.506 20 30 GHEDRO N#C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000416161723 838647470 /nfs/dbraw/zinc/64/74/70/838647470.db2.gz RQKSTSBUNXDGGC-IBGZPJMESA-N 1 0 387.405 3.835 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000610366865 838717263 /nfs/dbraw/zinc/71/72/63/838717263.db2.gz PTKZGRYGRBHNCY-LJQANCHMSA-N 1 0 379.508 3.853 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000893201108 838837147 /nfs/dbraw/zinc/83/71/47/838837147.db2.gz WNLLOGMHHQFRKD-QAPCUYQASA-N 1 0 388.562 3.906 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376940555 838847932 /nfs/dbraw/zinc/84/79/32/838847932.db2.gz UYBFZEMUZDIZTH-MJGOQNOKSA-N 1 0 376.504 3.879 20 30 GHEDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000290715502 838976082 /nfs/dbraw/zinc/97/60/82/838976082.db2.gz OEOIKLWBZSYSOK-MRXNPFEDSA-N 1 0 397.523 3.742 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000610400208 839062651 /nfs/dbraw/zinc/06/26/51/839062651.db2.gz WESQTMYWWCNVIE-VGOFRKELSA-N 1 0 392.503 3.764 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C#N)c(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000134166273 839099165 /nfs/dbraw/zinc/09/91/65/839099165.db2.gz OBPFAUPTVUFGQO-SFTDATJTSA-N 1 0 395.890 3.928 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)NCc1ccccc1 ZINC000067248075 844399881 /nfs/dbraw/zinc/39/98/81/844399881.db2.gz NQAYOZUUNLQWNT-IBGZPJMESA-N 1 0 399.494 3.932 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000415076574 839165450 /nfs/dbraw/zinc/16/54/50/839165450.db2.gz CWLPTOSUOJCCNT-QFIPXVFZSA-N 1 0 394.475 3.870 20 30 GHEDRO C[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000378480845 839192673 /nfs/dbraw/zinc/19/26/73/839192673.db2.gz HEIFKCSNNANHDO-SFHVURJKSA-N 1 0 379.479 3.994 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000118954976 839212132 /nfs/dbraw/zinc/21/21/32/839212132.db2.gz PMNPQKZPBIKMGA-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO COc1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1Br ZINC000579521303 839221478 /nfs/dbraw/zinc/22/14/78/839221478.db2.gz XPSBYZDMAYFJNQ-UHFFFAOYSA-N 1 0 389.293 3.978 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415111689 839232806 /nfs/dbraw/zinc/23/28/06/839232806.db2.gz APUPEGSXEDDREC-UZUQRXQVSA-N 1 0 392.503 3.894 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415121866 839242662 /nfs/dbraw/zinc/24/26/62/839242662.db2.gz KZEMLXWRQRHFFD-OXJNMPFZSA-N 1 0 378.476 3.647 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415130137 839256047 /nfs/dbraw/zinc/25/60/47/839256047.db2.gz VWBVBSVXUGWNSF-UHFFFAOYSA-N 1 0 378.476 3.837 20 30 GHEDRO Cc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1Br ZINC000610420661 839263771 /nfs/dbraw/zinc/26/37/71/839263771.db2.gz GMGLSEHWKWNYQS-UHFFFAOYSA-N 1 0 385.309 3.783 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415160744 839304998 /nfs/dbraw/zinc/30/49/98/839304998.db2.gz MAXAVXWWQBWZGZ-MRXNPFEDSA-N 1 0 383.521 3.635 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472740480 839348924 /nfs/dbraw/zinc/34/89/24/839348924.db2.gz QBOZZEIANOPMDC-LJQANCHMSA-N 1 0 378.476 3.695 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2COc2cccc(C=O)c2)CC1 ZINC000068430602 839372149 /nfs/dbraw/zinc/37/21/49/839372149.db2.gz UEYMURWXWAMBDM-UHFFFAOYSA-N 1 0 392.499 3.848 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000122384525 839481648 /nfs/dbraw/zinc/48/16/48/839481648.db2.gz MDNXCJKLSXRVLW-OXQOHEQNSA-N 1 0 381.476 3.533 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000158978277 839531392 /nfs/dbraw/zinc/53/13/92/839531392.db2.gz UKOJBWMTXUZEQI-XLIONFOSSA-N 1 0 397.544 3.976 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000416687038 839533910 /nfs/dbraw/zinc/53/39/10/839533910.db2.gz NUXPXEMIJCDMLM-NHCUHLMSSA-N 1 0 380.467 3.677 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549251533 839581021 /nfs/dbraw/zinc/58/10/21/839581021.db2.gz UZSKFDOHMHEJJA-LJQANCHMSA-N 1 0 385.531 3.752 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549263175 839663491 /nfs/dbraw/zinc/66/34/91/839663491.db2.gz DFQHHNXSMMPAKR-HXUWFJFHSA-N 1 0 397.567 3.910 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN(Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550664 844482816 /nfs/dbraw/zinc/48/28/16/844482816.db2.gz LSDCPYLCFGIGOF-ZDUSSCGKSA-N 1 0 376.350 3.601 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc2c(ccc3ccccc23)o1 ZINC000588386248 840003659 /nfs/dbraw/zinc/00/36/59/840003659.db2.gz JFIIFQIVJPDMIC-OXBTWTFQSA-N 1 0 375.428 3.763 20 30 GHEDRO N#CCCC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000580733254 840081379 /nfs/dbraw/zinc/08/13/79/840081379.db2.gz RIOUKAWWYZCRSK-YADHBBJMSA-N 1 0 376.504 3.845 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC000178851036 844502513 /nfs/dbraw/zinc/50/25/13/844502513.db2.gz UKXJKXXYLWCQIM-UHFFFAOYSA-N 1 0 398.478 3.617 20 30 GHEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cccc(I)c2)no1 ZINC001211434695 840292462 /nfs/dbraw/zinc/29/24/62/840292462.db2.gz BRADMLFHGQSIBS-UHFFFAOYSA-N 1 0 395.244 3.840 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000580861695 840351877 /nfs/dbraw/zinc/35/18/77/840351877.db2.gz MIITYQXRHGWOLX-IKGGRYGDSA-N 1 0 387.503 3.662 20 30 GHEDRO N#C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1c(Cl)cccc1Cl ZINC000581020976 840596891 /nfs/dbraw/zinc/59/68/91/840596891.db2.gz PWYXJOQJJWROCX-XJKSGUPXSA-N 1 0 398.359 3.892 20 30 GHEDRO C[C@H](O)C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000160756214 840672690 /nfs/dbraw/zinc/67/26/90/840672690.db2.gz FPOANFSZYJKOBN-ZFWWWQNUSA-N 1 0 381.398 3.867 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511770230 840696244 /nfs/dbraw/zinc/69/62/44/840696244.db2.gz SJJWEYGTANJLJZ-PGRDOPGGSA-N 1 0 391.515 3.742 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CSCC2CC[NH2+]CC2)c1C#N ZINC000584778632 840839318 /nfs/dbraw/zinc/83/93/18/840839318.db2.gz RZBDEQRFQXGCCC-UHFFFAOYSA-N 1 0 382.533 3.637 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000549920392 844611096 /nfs/dbraw/zinc/61/10/96/844611096.db2.gz UDMKJELKPCLPAU-UVUJQTEASA-N 1 0 395.547 3.876 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000660988929 841322034 /nfs/dbraw/zinc/32/20/34/841322034.db2.gz SHSLJCCOUGNJEN-OYRHEFFESA-N 1 0 383.536 3.596 20 30 GHEDRO N#CCCCOc1cccc(CNc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000177555075 861196020 /nfs/dbraw/zinc/19/60/20/861196020.db2.gz OPCLBFKYIDSDKQ-UHFFFAOYSA-N 1 0 379.504 3.856 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000104327257 841391860 /nfs/dbraw/zinc/39/18/60/841391860.db2.gz GTAGVBBNLIGLHI-UHFFFAOYSA-N 1 0 376.913 3.771 20 30 GHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000651708777 841406031 /nfs/dbraw/zinc/40/60/31/841406031.db2.gz AREGSEIWSLSHJH-FXAWDEMLSA-N 1 0 386.536 3.703 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2)cc1 ZINC000593757300 861204441 /nfs/dbraw/zinc/20/44/41/861204441.db2.gz JUPYEGMDSUFMKF-JTSKRJEESA-N 1 0 376.460 3.943 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000125373185 841475288 /nfs/dbraw/zinc/47/52/88/841475288.db2.gz SHFGTCHDNCUEOM-KBPBESRZSA-N 1 0 375.538 3.620 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000121400415 841549575 /nfs/dbraw/zinc/54/95/75/841549575.db2.gz UDLHNOZBYRZTIL-UHFFFAOYSA-N 1 0 393.466 3.646 20 30 GHEDRO COc1cccc(C2(F)CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)c1 ZINC000500169815 841554809 /nfs/dbraw/zinc/55/48/09/841554809.db2.gz LUKWPSNGYIQKRF-UHFFFAOYSA-N 1 0 384.451 3.915 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)CC1 ZINC000329265435 861220596 /nfs/dbraw/zinc/22/05/96/861220596.db2.gz CIWOFUFWHLQABT-GOSISDBHSA-N 1 0 379.504 3.881 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000329275820 861232397 /nfs/dbraw/zinc/23/23/97/861232397.db2.gz KBVRNEMHIVURDF-QMMLZNLJSA-N 1 0 381.524 3.761 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)Cc2ccc(OC)c(OC)c2)cc1Cl ZINC000134547834 841776733 /nfs/dbraw/zinc/77/67/33/841776733.db2.gz UKWNQMKSDSZDPN-CYBMUJFWSA-N 1 0 391.899 3.971 20 30 GHEDRO C[C@H]1COCCN1C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000581615301 841788645 /nfs/dbraw/zinc/78/86/45/841788645.db2.gz BEUPXNOKYUUKSB-IBGZPJMESA-N 1 0 375.516 3.910 20 30 GHEDRO C[C@]1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCc2ccccc21 ZINC000329299338 861259363 /nfs/dbraw/zinc/25/93/63/861259363.db2.gz UZYMYNYCMOCKNK-XPNTWCBSSA-N 1 0 385.552 3.510 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000131205747 861260795 /nfs/dbraw/zinc/26/07/95/861260795.db2.gz QWPXAPQDKLUYDZ-UHFFFAOYSA-N 1 0 390.531 3.654 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000330345635 842018441 /nfs/dbraw/zinc/01/84/41/842018441.db2.gz FKNMXZMFEDWSBS-UHFFFAOYSA-N 1 0 385.508 3.705 20 30 GHEDRO CC1CC[NH+](CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000474876445 861281484 /nfs/dbraw/zinc/28/14/84/861281484.db2.gz JULHEEUKIHEDQR-QFIPXVFZSA-N 1 0 377.488 3.678 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000581777297 842209986 /nfs/dbraw/zinc/20/99/86/842209986.db2.gz SRGCMIKULYAKSJ-QFIPXVFZSA-N 1 0 389.499 3.727 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000569936281 842241128 /nfs/dbraw/zinc/24/11/28/842241128.db2.gz CZUUABPSVRTFKT-SMIHKQSGSA-N 1 0 376.500 3.977 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661874758 842264141 /nfs/dbraw/zinc/26/41/41/842264141.db2.gz KFXHJAUHBYHOMK-NLWGTHIKSA-N 1 0 376.566 3.932 20 30 GHEDRO O=C(Nc1cccc(CSC2CCOCC2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329340671 861304901 /nfs/dbraw/zinc/30/49/01/861304901.db2.gz RSYVBZAXZMIKIW-UXHICEINSA-N 1 0 389.565 3.861 20 30 GHEDRO C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC(=O)N1 ZINC000329340469 861303768 /nfs/dbraw/zinc/30/37/68/861303768.db2.gz OIOHTMDEKYFBGN-HUUCEWRRSA-N 1 0 393.915 3.895 20 30 GHEDRO O=C(CN1CC[C@@H](n2ncc3ccccc32)C1)Nc1nc2c(s1)CCCC2 ZINC000329343047 861305253 /nfs/dbraw/zinc/30/52/53/861305253.db2.gz PWVRMKUIARHQQV-OAHLLOKOSA-N 1 0 381.505 3.907 20 30 GHEDRO COc1cc(C)cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000278999948 842448762 /nfs/dbraw/zinc/44/87/62/842448762.db2.gz TWBOWMJJPICVFH-UHFFFAOYSA-N 1 0 392.503 3.924 20 30 GHEDRO O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328851724 842630581 /nfs/dbraw/zinc/63/05/81/842630581.db2.gz ZVEPDERQPHEJAZ-IBGZPJMESA-N 1 0 391.519 3.708 20 30 GHEDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000187609293 842684620 /nfs/dbraw/zinc/68/46/20/842684620.db2.gz FAKZMVVFZPTAOT-NRFANRHFSA-N 1 0 389.565 3.702 20 30 GHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000328857937 842692358 /nfs/dbraw/zinc/69/23/58/842692358.db2.gz YAURUMPAFGWHOO-SFHVURJKSA-N 1 0 399.560 3.749 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1)c1cccc(C#N)c1 ZINC001167857538 842812855 /nfs/dbraw/zinc/81/28/55/842812855.db2.gz TZVKLRCWDQJYHX-JOCHJYFZSA-N 1 0 377.488 3.912 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000028347600 861352817 /nfs/dbraw/zinc/35/28/17/861352817.db2.gz FTAMFYQVRBWDDN-CABCVRRESA-N 1 0 376.460 3.585 20 30 GHEDRO COc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1OC(F)F ZINC000329381180 861355276 /nfs/dbraw/zinc/35/52/76/861355276.db2.gz NQTGSWWCBIVDAE-INIZCTEOSA-N 1 0 397.466 3.661 20 30 GHEDRO N#CCC1(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000430757888 842939796 /nfs/dbraw/zinc/93/97/96/842939796.db2.gz XQZDGOKCZSQDAR-CQSZACIVSA-N 1 0 382.245 3.788 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+](C)C ZINC000510551511 842950245 /nfs/dbraw/zinc/95/02/45/842950245.db2.gz UUSZXICEHKOJBS-DYESRHJHSA-N 1 0 379.504 3.832 20 30 GHEDRO Cc1ccc2c(c1)C(=NNC(=S)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000730946107 861365714 /nfs/dbraw/zinc/36/57/14/861365714.db2.gz GCWZJGSWBQZDBX-UHFFFAOYSA-N 1 0 392.572 3.774 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329393417 861368901 /nfs/dbraw/zinc/36/89/01/861368901.db2.gz USRLPXIFAJIMKJ-ICSRJNTNSA-N 1 0 385.556 3.875 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NCC#Cc2cccc(F)c2)[NH+]2CCCC2)cc1 ZINC000512206017 843089027 /nfs/dbraw/zinc/08/90/27/843089027.db2.gz YQXHUECPWGUYTO-QFIPXVFZSA-N 1 0 379.479 3.622 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000603910944 861379161 /nfs/dbraw/zinc/37/91/61/861379161.db2.gz FTNXJUHLNOTBEQ-IBGZPJMESA-N 1 0 394.494 3.673 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000599596604 861383601 /nfs/dbraw/zinc/38/36/01/861383601.db2.gz CNQQCOLUDHSUEX-YOEHRIQHSA-N 1 0 380.448 3.621 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512227550 843147907 /nfs/dbraw/zinc/14/79/07/843147907.db2.gz MCVPWECWRQYDCT-QGZVFWFLSA-N 1 0 395.286 3.966 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1 ZINC000662372341 843172591 /nfs/dbraw/zinc/17/25/91/843172591.db2.gz RPCPGEHVLIJVQE-QGZVFWFLSA-N 1 0 378.476 3.625 20 30 GHEDRO CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000279618918 843172601 /nfs/dbraw/zinc/17/26/01/843172601.db2.gz AQFJMJARZPXSNJ-UHFFFAOYSA-N 1 0 390.531 3.662 20 30 GHEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000178679557 861396044 /nfs/dbraw/zinc/39/60/44/861396044.db2.gz HYNUBTPREQUESQ-DLBZAZTESA-N 1 0 380.448 3.889 20 30 GHEDRO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000279719984 843266829 /nfs/dbraw/zinc/26/68/29/843266829.db2.gz LMGZAMLNVDDNGX-MAUKXSAKSA-N 1 0 378.476 3.596 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)NCC3CCSCC3)CC[N@@H+]2C2CC2)c1 ZINC000329429148 861408248 /nfs/dbraw/zinc/40/82/48/861408248.db2.gz JTMHZFCIRWNRMC-WOJBJXKFSA-N 1 0 389.565 3.620 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000510735801 843368683 /nfs/dbraw/zinc/36/86/83/843368683.db2.gz NBMRKMCMLNQKGT-HXUWFJFHSA-N 1 0 392.503 3.915 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@@H](C)C[NH2+]1 ZINC000662513533 843378809 /nfs/dbraw/zinc/37/88/09/843378809.db2.gz AFTVZKOGDRPFRB-ZJUUUORDSA-N 1 0 386.311 3.798 20 30 GHEDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662553168 843410349 /nfs/dbraw/zinc/41/03/49/843410349.db2.gz HOZPGZBEPHZGIM-LBPRGKRZSA-N 1 0 386.311 3.848 20 30 GHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C2CCCC2)n1 ZINC000891864477 843436812 /nfs/dbraw/zinc/43/68/12/843436812.db2.gz QUZVCBGYIKIGNZ-UHFFFAOYSA-N 1 0 391.519 3.800 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418709730 843565447 /nfs/dbraw/zinc/56/54/47/843565447.db2.gz DFPNSMOLXWCZRT-XJKSGUPXSA-N 1 0 398.320 3.803 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418737634 843585077 /nfs/dbraw/zinc/58/50/77/843585077.db2.gz YHNSHMDRYNEFES-UGKGYDQZSA-N 1 0 394.494 3.927 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1COc2ccccc2O1 ZINC000105423123 843612009 /nfs/dbraw/zinc/61/20/09/843612009.db2.gz AHYKRHXBKGKXKF-KRWDZBQOSA-N 1 0 399.878 3.702 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000158040772 843672585 /nfs/dbraw/zinc/67/25/85/843672585.db2.gz IVGSLMLHNJAKLU-UHFFFAOYSA-N 1 0 389.459 3.669 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599651231 861449680 /nfs/dbraw/zinc/44/96/80/861449680.db2.gz DQTSHJYBRKIBMO-YCPHGPKFSA-N 1 0 390.325 3.578 20 30 GHEDRO N#Cc1cccc(C[NH2+]Cc2cc(Br)cc(Br)c2N)c1 ZINC000185774695 861450833 /nfs/dbraw/zinc/45/08/33/861450833.db2.gz NQOKZTVKDCJVTB-UHFFFAOYSA-N 1 0 395.098 3.955 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510896772 843746609 /nfs/dbraw/zinc/74/66/09/843746609.db2.gz LSQOOCXBXBTCCM-PXNSSMCTSA-N 1 0 392.503 3.989 20 30 GHEDRO C=CCOc1ccc(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1OC ZINC000512433219 843778238 /nfs/dbraw/zinc/77/82/38/843778238.db2.gz KIKVZUXZNUMBDX-IBGZPJMESA-N 1 0 399.466 3.795 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599666363 861459212 /nfs/dbraw/zinc/45/92/12/861459212.db2.gz NJDFGCZFQYAYPS-HNNXBMFYSA-N 1 0 398.315 3.968 20 30 GHEDRO C=CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000512831261 843826501 /nfs/dbraw/zinc/82/65/01/843826501.db2.gz FJFAFANSDITBPN-SFHVURJKSA-N 1 0 381.442 3.887 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)c1 ZINC000731111013 861473275 /nfs/dbraw/zinc/47/32/75/861473275.db2.gz MOPPOKUQYLPXDA-QFIPXVFZSA-N 1 0 395.503 3.912 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)([NH+](C)C)C1 ZINC000509760968 843970900 /nfs/dbraw/zinc/97/09/00/843970900.db2.gz IXKROGMYRJAUAB-JPYJTQIMSA-N 1 0 398.551 3.622 20 30 GHEDRO Cc1cccc(C(=O)NCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000603954814 861478091 /nfs/dbraw/zinc/47/80/91/861478091.db2.gz JRLPQYXGBVPHHR-UHFFFAOYSA-N 1 0 399.494 3.965 20 30 GHEDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000512487373 843995017 /nfs/dbraw/zinc/99/50/17/843995017.db2.gz UJBCQGNGDYRBEY-QPPBQGQZSA-N 1 0 389.543 3.681 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000120645533 844637698 /nfs/dbraw/zinc/63/76/98/844637698.db2.gz GBVVCEMGCGADCI-VGSWGCGISA-N 1 0 377.488 3.549 20 30 GHEDRO COc1ccccc1/C=C\C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512590415 844673804 /nfs/dbraw/zinc/67/38/04/844673804.db2.gz NEHFFQAGZPOKJW-YVMONPNESA-N 1 0 375.472 3.931 20 30 GHEDRO Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)ccc1C[NH+](C)C ZINC000458271679 844772517 /nfs/dbraw/zinc/77/25/17/844772517.db2.gz UVDANUWJPBYSHG-UHFFFAOYSA-N 1 0 394.494 3.923 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1F ZINC000458274949 844778948 /nfs/dbraw/zinc/77/89/48/844778948.db2.gz NEVZZQJWPWWNEX-UHFFFAOYSA-N 1 0 387.430 3.693 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000067120488 844783879 /nfs/dbraw/zinc/78/38/79/844783879.db2.gz CJOHDIUVXLPNSS-UHFFFAOYSA-N 1 0 378.398 3.662 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000512636772 844851958 /nfs/dbraw/zinc/85/19/58/844851958.db2.gz OABBDKPXCOQKMX-DOMZBBRYSA-N 1 0 382.357 3.807 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1cccs1 ZINC000610933287 844867200 /nfs/dbraw/zinc/86/72/00/844867200.db2.gz DPXLPEGDAQLRAJ-PXNSSMCTSA-N 1 0 379.529 3.851 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000512646805 844874217 /nfs/dbraw/zinc/87/42/17/844874217.db2.gz DHTQNCIMCRGFBQ-FOIQADDNSA-N 1 0 383.467 3.966 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NCCc1cccc2cccnc21)c1ccccc1 ZINC000433019200 844970356 /nfs/dbraw/zinc/97/03/56/844970356.db2.gz MBCLVPYMJKVQFU-JOCHJYFZSA-N 1 0 386.499 3.918 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cc1 ZINC000513195295 845022627 /nfs/dbraw/zinc/02/26/27/845022627.db2.gz AARPSPYDWDOGBN-INIZCTEOSA-N 1 0 391.475 3.559 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000429113609 861537998 /nfs/dbraw/zinc/53/79/98/861537998.db2.gz XNWBUIRUWUOYOY-CQSZACIVSA-N 1 0 398.429 3.695 20 30 GHEDRO Cc1ccc([C@H](C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000162270183 861554830 /nfs/dbraw/zinc/55/48/30/861554830.db2.gz IVUZOSYQEJPTSZ-LJQANCHMSA-N 1 0 378.520 3.744 20 30 GHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc21 ZINC000513410155 845362863 /nfs/dbraw/zinc/36/28/63/845362863.db2.gz AKHNBHZKZUPAIU-UHFFFAOYSA-N 1 0 390.462 3.884 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000119603939 845471938 /nfs/dbraw/zinc/47/19/38/845471938.db2.gz BMWNWXNGDQQMEN-KBPBESRZSA-N 1 0 381.314 3.697 20 30 GHEDRO Cc1cccc(OCC[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000014079613 845501053 /nfs/dbraw/zinc/50/10/53/845501053.db2.gz IZNRTPRAGWKOQF-UHFFFAOYSA-N 1 0 383.517 3.756 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)CC1 ZINC000151780263 845517904 /nfs/dbraw/zinc/51/79/04/845517904.db2.gz QZUVTFHQMVDDQR-UHFFFAOYSA-N 1 0 387.524 3.654 20 30 GHEDRO COc1ccc([C@H](CNC(=O)/C=C/c2ccccc2C#N)[NH+]2CCCC2)cc1 ZINC000067180255 845529807 /nfs/dbraw/zinc/52/98/07/845529807.db2.gz XANQXMLRPZNFDL-FLSMSTFGSA-N 1 0 375.472 3.533 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1C ZINC000600313115 861581029 /nfs/dbraw/zinc/58/10/29/861581029.db2.gz HUZRYXGDBFSVBW-IBGZPJMESA-N 1 0 393.535 3.542 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCCC[C@@H]3O)sc2C1 ZINC000481514633 861581196 /nfs/dbraw/zinc/58/11/96/861581196.db2.gz JDATVXLMNGFMGW-VKJFTORMSA-N 1 0 389.565 3.556 20 30 GHEDRO N#Cc1ccc(OCC[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000538953470 845749287 /nfs/dbraw/zinc/74/92/87/845749287.db2.gz JEBRBOVGWFURLN-QGZVFWFLSA-N 1 0 377.366 3.504 20 30 GHEDRO C[C@@H](Cc1cccnc1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000934236684 846047132 /nfs/dbraw/zinc/04/71/32/846047132.db2.gz OFWKZHIIISPZRS-GJZGRUSLSA-N 1 0 382.533 3.689 20 30 GHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000051377008 846079444 /nfs/dbraw/zinc/07/94/44/846079444.db2.gz DAWWITPOYYJYDP-NRFANRHFSA-N 1 0 376.504 3.798 20 30 GHEDRO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167536403 846099492 /nfs/dbraw/zinc/09/94/92/846099492.db2.gz YWJJCCPZUTUWFB-HSALFYBXSA-N 1 0 377.573 3.834 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429590690 846209729 /nfs/dbraw/zinc/20/97/29/846209729.db2.gz HXRADJASYMPODN-GOSISDBHSA-N 1 0 393.535 3.704 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCSCc3ccccc3C#N)CC2)cc1 ZINC000513659894 846226506 /nfs/dbraw/zinc/22/65/06/846226506.db2.gz DVWVALYJYPXWQO-UHFFFAOYSA-N 1 0 376.529 3.922 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C[C@@H](C)O1 ZINC000280088534 846286373 /nfs/dbraw/zinc/28/63/73/846286373.db2.gz YSIBIBWLJMOPRT-RTBURBONSA-N 1 0 397.563 3.839 20 30 GHEDRO Cc1noc([C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000329039287 846326352 /nfs/dbraw/zinc/32/63/52/846326352.db2.gz NXPAEGKHAKRJNJ-ZDUSSCGKSA-N 1 0 385.493 3.658 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2C#N)[NH+]2CCCC2)cc1 ZINC000119813929 846327223 /nfs/dbraw/zinc/32/72/23/846327223.db2.gz HLIQNHZMWDXZJK-FQEVSTJZSA-N 1 0 382.439 3.665 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)C1 ZINC000329562298 861669937 /nfs/dbraw/zinc/66/99/37/861669937.db2.gz GLBZBKRLXJBEJY-FYQPLNBISA-N 1 0 385.556 3.691 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC2CCOCC2)[n+]2ccccc2)cc1 ZINC000280611453 846468217 /nfs/dbraw/zinc/46/82/17/846468217.db2.gz QMGFWLKRIYPGQF-UHFFFAOYSA-O 1 0 383.537 3.634 20 30 GHEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551787941 846520208 /nfs/dbraw/zinc/52/02/08/846520208.db2.gz PPXCDYDTGMUDAE-QFIPXVFZSA-N 1 0 387.531 3.769 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000474980185 861690159 /nfs/dbraw/zinc/69/01/59/861690159.db2.gz ANYOZAYBYOOSCH-UHFFFAOYSA-N 1 0 394.306 3.951 20 30 GHEDRO Cc1ccc(C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000502943808 846639083 /nfs/dbraw/zinc/63/90/83/846639083.db2.gz BZSISGDIKBUBMU-UHFFFAOYSA-N 1 0 392.547 3.918 20 30 GHEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000513707619 846661300 /nfs/dbraw/zinc/66/13/00/846661300.db2.gz GKDWBRPISJNIFU-SFHVURJKSA-N 1 0 390.531 3.845 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478046308 846672869 /nfs/dbraw/zinc/67/28/69/846672869.db2.gz MIOKPGSHZCQDIG-RTBURBONSA-N 1 0 382.552 3.862 20 30 GHEDRO C[NH+]=C(NCc1scnc1C)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000261809776 846697038 /nfs/dbraw/zinc/69/70/38/846697038.db2.gz SJYUEYGUOTUQNX-OAHLLOKOSA-N 1 0 398.454 3.619 20 30 GHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419646640 846715367 /nfs/dbraw/zinc/71/53/67/846715367.db2.gz QHXXCFDVGVICFH-HXUWFJFHSA-N 1 0 382.533 3.771 20 30 GHEDRO C=CCC[C@H](C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422015022 846732797 /nfs/dbraw/zinc/73/27/97/846732797.db2.gz GIWSWVKQGHRBEV-QHCPKHFHSA-N 1 0 383.580 3.755 20 30 GHEDRO COc1cc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c(F)cc1C#N ZINC000599818267 861721257 /nfs/dbraw/zinc/72/12/57/861721257.db2.gz WKSPCAVVDKNYNV-KRWDZBQOSA-N 1 0 386.427 3.566 20 30 GHEDRO CC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000179727302 861733696 /nfs/dbraw/zinc/73/36/96/861733696.db2.gz ZBEWFNDXNYOFNG-HXUWFJFHSA-N 1 0 384.907 3.899 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000728488097 846924272 /nfs/dbraw/zinc/92/42/72/846924272.db2.gz HJHHRKSVZMEFKQ-SFHVURJKSA-N 1 0 394.490 3.927 20 30 GHEDRO C[C@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272389517 847066919 /nfs/dbraw/zinc/06/69/19/847066919.db2.gz WMMIUTDYDRMXBT-UNSXWEAHSA-N 1 0 389.499 3.629 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)C(C)C ZINC000501753987 847158042 /nfs/dbraw/zinc/15/80/42/847158042.db2.gz MKOMKYOXDRVLQZ-KRWDZBQOSA-N 1 0 393.915 3.931 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000921502865 861763468 /nfs/dbraw/zinc/76/34/68/861763468.db2.gz HNHYABIKEMXMHJ-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000562049209 847220263 /nfs/dbraw/zinc/22/02/63/847220263.db2.gz BNXXKZRMTBVTJR-HNAYVOBHSA-N 1 0 394.906 3.676 20 30 GHEDRO COc1cc(CN2CC[NH+](CCCCC(C)(C)C#N)CC2)cc(OC)c1OC ZINC000277595721 847228568 /nfs/dbraw/zinc/22/85/68/847228568.db2.gz DQXDOCMTNLGLGS-UHFFFAOYSA-N 1 0 389.540 3.550 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(OC)c1 ZINC000501847541 847247242 /nfs/dbraw/zinc/24/72/42/847247242.db2.gz DJFXYZDAVZJOFS-VXKWHMMOSA-N 1 0 381.516 3.871 20 30 GHEDRO C[C@H]1C[C@@H]1c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000604096542 861774903 /nfs/dbraw/zinc/77/49/03/861774903.db2.gz VZPRNBCZBCNJAQ-UWJYYQICSA-N 1 0 392.503 3.692 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000604096541 861774980 /nfs/dbraw/zinc/77/49/80/861774980.db2.gz VZPRNBCZBCNJAQ-UTKZUKDTSA-N 1 0 392.503 3.692 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCCC1 ZINC000178590612 847405485 /nfs/dbraw/zinc/40/54/85/847405485.db2.gz OMIMIKARDYHBOX-GOSISDBHSA-N 1 0 398.551 3.621 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c(C#N)c1C ZINC000513730087 847462348 /nfs/dbraw/zinc/46/23/48/847462348.db2.gz VCXXVIVCUAWIHX-ZWKOTPCHSA-N 1 0 389.402 3.575 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420917561 847538332 /nfs/dbraw/zinc/53/83/32/847538332.db2.gz SOQRBUKMUNGOCB-BJKOFHAPSA-N 1 0 375.516 3.791 20 30 GHEDRO C[C@H](c1nc(-c2cccs2)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000502161532 847540616 /nfs/dbraw/zinc/54/06/16/847540616.db2.gz XZGKVSLDTXWBPR-MRXNPFEDSA-N 1 0 393.516 3.939 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](CCO)CC2)sc2c1CCCCC2 ZINC000421044677 847659941 /nfs/dbraw/zinc/65/99/41/847659941.db2.gz TTXQUJRJLLXNKQ-MRXNPFEDSA-N 1 0 389.565 3.702 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2ccc(O)cc2)CC1)C(C)C ZINC000503412461 847677917 /nfs/dbraw/zinc/67/79/17/847677917.db2.gz UYCLHFUBGURVEV-JOCHJYFZSA-N 1 0 385.552 3.980 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502304885 847718358 /nfs/dbraw/zinc/71/83/58/847718358.db2.gz NJCDPZRUAVCGSL-UHFFFAOYSA-N 1 0 380.536 3.869 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)c(C#N)c1C ZINC000503525357 847769592 /nfs/dbraw/zinc/76/95/92/847769592.db2.gz DEVGZASFBXTGKU-YSSFQJQWSA-N 1 0 381.476 3.823 20 30 GHEDRO CCOC[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000176350475 847958835 /nfs/dbraw/zinc/95/88/35/847958835.db2.gz AXMYJHNFBPZSSI-OAHLLOKOSA-N 1 0 375.538 3.576 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)CC2 ZINC000582754709 848299023 /nfs/dbraw/zinc/29/90/23/848299023.db2.gz XVZASZQYFZGLEH-WMLDXEAASA-N 1 0 377.271 3.882 20 30 GHEDRO COc1cc2cccnc2c(N(c2ccc(C#N)c(OC)n2)[C@H](C)CCC[NH3+])c1 ZINC001167612675 848331059 /nfs/dbraw/zinc/33/10/59/848331059.db2.gz OCACBBAZTCPNLB-OAHLLOKOSA-N 1 0 391.475 3.784 20 30 GHEDRO COc1cc2cccnc2c(N(c2cccc(CC#N)n2)[C@H](C)CCC[NH3+])c1 ZINC001167616400 848368209 /nfs/dbraw/zinc/36/82/09/848368209.db2.gz XOLCVGZSTNRXGD-MRXNPFEDSA-N 1 0 375.476 3.970 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000511211834 848612388 /nfs/dbraw/zinc/61/23/88/848612388.db2.gz ATDCZCWIHAWEAE-FQEVSTJZSA-N 1 0 378.476 3.916 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000604172389 861927231 /nfs/dbraw/zinc/92/72/31/861927231.db2.gz LGYXTASNEOYTKY-HSZRJFAPSA-N 1 0 391.515 3.874 20 30 GHEDRO C=CCOc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000192357163 861928613 /nfs/dbraw/zinc/92/86/13/861928613.db2.gz UTJRDAQWYKILEH-JOCHJYFZSA-N 1 0 396.531 3.641 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCC1 ZINC000162240631 848860139 /nfs/dbraw/zinc/86/01/39/848860139.db2.gz LPISHGPPUCZREE-UHFFFAOYSA-N 1 0 391.519 3.754 20 30 GHEDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481666466 861968149 /nfs/dbraw/zinc/96/81/49/861968149.db2.gz FMDXCYMGGKOOTN-XXBNENTESA-N 1 0 389.547 3.521 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000481667803 861971312 /nfs/dbraw/zinc/97/13/12/861971312.db2.gz KJLNZSBFQZUJGH-AOMKIAJQSA-N 1 0 397.544 3.927 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000247970769 849104432 /nfs/dbraw/zinc/10/44/32/849104432.db2.gz FRIJLGJSBXWINI-TZIWHRDSSA-N 1 0 380.488 3.608 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)[C@@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000481672873 861982962 /nfs/dbraw/zinc/98/29/62/861982962.db2.gz GEPDRQQZRWBHDK-WOJBJXKFSA-N 1 0 377.573 3.796 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000079798133 849304106 /nfs/dbraw/zinc/30/41/06/849304106.db2.gz IVVRAZZYZNWSMP-SPEDKVCISA-N 1 0 376.504 3.972 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000583334962 849645361 /nfs/dbraw/zinc/64/53/61/849645361.db2.gz SPXMMMPDEJFJBJ-HXUWFJFHSA-N 1 0 399.922 3.816 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(-c4ccncc4)c3)C2=O)cc1 ZINC000503905586 849752661 /nfs/dbraw/zinc/75/26/61/849752661.db2.gz ZPWAWHBFKWNHMI-HSZRJFAPSA-N 1 0 382.467 3.905 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000434848045 849832517 /nfs/dbraw/zinc/83/25/17/849832517.db2.gz GMFSNNRMUUEBRP-SFHVURJKSA-N 1 0 389.499 3.949 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000425230532 849845250 /nfs/dbraw/zinc/84/52/50/849845250.db2.gz MDDJPWVIXNVSHD-UHFFFAOYSA-N 1 0 394.475 3.950 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000504019115 849848336 /nfs/dbraw/zinc/84/83/36/849848336.db2.gz IDDTTWBEOQFRIY-UHFFFAOYSA-N 1 0 393.531 3.854 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccc(C#N)c1 ZINC000434861503 849848503 /nfs/dbraw/zinc/84/85/03/849848503.db2.gz NQYSWVOZXZCLND-WZONZLPQSA-N 1 0 391.515 3.937 20 30 GHEDRO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=[NH2+])Nc1cc(F)ccc1F)O[C@@H](C)C2 ZINC000262300823 849880172 /nfs/dbraw/zinc/88/01/72/849880172.db2.gz QAZHPSCDDAOLQS-PZSREKOKSA-N 1 0 387.430 3.970 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000600473114 862085733 /nfs/dbraw/zinc/08/57/33/862085733.db2.gz QTWHIBGMRJPCFK-SFHVURJKSA-N 1 0 376.287 3.827 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000505608370 850079104 /nfs/dbraw/zinc/07/91/04/850079104.db2.gz NIIPDUHIQPFEEN-WTOYTKOKSA-N 1 0 379.504 3.769 20 30 GHEDRO CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000329694432 862097017 /nfs/dbraw/zinc/09/70/17/862097017.db2.gz XAUVNWQZLVNALU-HNNXBMFYSA-N 1 0 382.302 3.626 20 30 GHEDRO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329697887 862102734 /nfs/dbraw/zinc/10/27/34/862102734.db2.gz CMVFBKOFUWZTED-NQIIRXRSSA-N 1 0 385.552 3.849 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000424107115 850220182 /nfs/dbraw/zinc/22/01/82/850220182.db2.gz UFPLSLBEUWMOSX-ZWKOTPCHSA-N 1 0 386.293 3.676 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908640268 850234392 /nfs/dbraw/zinc/23/43/92/850234392.db2.gz PWHFTPWZYSKPQT-UHFFFAOYSA-N 1 0 380.540 3.761 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000424130218 850255956 /nfs/dbraw/zinc/25/59/56/850255956.db2.gz UPJVBQNVOFFGIG-GOSISDBHSA-N 1 0 375.586 3.735 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000424132429 850257863 /nfs/dbraw/zinc/25/78/63/850257863.db2.gz XVYUHUPKQLNUKK-QGZVFWFLSA-N 1 0 392.341 3.788 20 30 GHEDRO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N)CCO2 ZINC000424132684 850259976 /nfs/dbraw/zinc/25/99/76/850259976.db2.gz WODMIOAACPPFSN-NHCUHLMSSA-N 1 0 393.487 3.569 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000424167488 850273083 /nfs/dbraw/zinc/27/30/83/850273083.db2.gz DUVAYWANOKVHAU-KXBFYZLASA-N 1 0 390.325 3.932 20 30 GHEDRO CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518895659 850292680 /nfs/dbraw/zinc/29/26/80/850292680.db2.gz DMCNRCPCBKWYIF-FQEVSTJZSA-N 1 0 375.472 3.854 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000424238216 850305919 /nfs/dbraw/zinc/30/59/19/850305919.db2.gz GQGLGDADFCJUJI-QZTJIDSGSA-N 1 0 375.586 3.735 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000732188868 862114593 /nfs/dbraw/zinc/11/45/93/862114593.db2.gz NIWNATHGVJZLKV-GOSISDBHSA-N 1 0 387.528 3.532 20 30 GHEDRO COc1ccccc1-c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000506659334 850327695 /nfs/dbraw/zinc/32/76/95/850327695.db2.gz CSHOYNUSSJPRDF-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000425343357 850391162 /nfs/dbraw/zinc/39/11/62/850391162.db2.gz ANLUGPKKCVYVDG-LADGPHEKSA-N 1 0 397.526 3.665 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000519020554 850525031 /nfs/dbraw/zinc/52/50/31/850525031.db2.gz LSZZQLDTLRVHDK-OAQYLSRUSA-N 1 0 383.467 3.666 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccccc2)cc1 ZINC000028605949 850666074 /nfs/dbraw/zinc/66/60/74/850666074.db2.gz BIQPCSLMGNFEGD-IBGZPJMESA-O 1 0 397.564 3.979 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000425398387 850734438 /nfs/dbraw/zinc/73/44/38/850734438.db2.gz UNUPBOUZXVCBAW-GMAHTHKFSA-N 1 0 393.531 3.806 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c(OC)c1 ZINC000481756232 862178652 /nfs/dbraw/zinc/17/86/52/862178652.db2.gz MKDCIPDFHVSMNY-FQEVSTJZSA-N 1 0 379.500 3.711 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000604416357 862190911 /nfs/dbraw/zinc/19/09/11/862190911.db2.gz XXWABYITTCPXRO-WOJBJXKFSA-N 1 0 384.907 3.853 20 30 GHEDRO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[C@H]1C ZINC000487963790 851031252 /nfs/dbraw/zinc/03/12/52/851031252.db2.gz NEGDONTZURNGSI-APWZRJJASA-N 1 0 377.916 3.724 20 30 GHEDRO C=CCC[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000187584436 851199717 /nfs/dbraw/zinc/19/97/17/851199717.db2.gz BTLSFKOQDZBWSM-GOTSBHOMSA-N 1 0 378.516 3.619 20 30 GHEDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000514160701 851314775 /nfs/dbraw/zinc/31/47/75/851314775.db2.gz RLNRODGSJAKAFX-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000048427103 851371266 /nfs/dbraw/zinc/37/12/66/851371266.db2.gz XHHPXWTYXKBSNY-UHFFFAOYSA-N 1 0 389.421 3.618 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000515833625 851540200 /nfs/dbraw/zinc/54/02/00/851540200.db2.gz INYFMXLOHTXUTH-GOSISDBHSA-N 1 0 396.434 3.658 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000550103177 851571997 /nfs/dbraw/zinc/57/19/97/851571997.db2.gz GCFAQGPMMAGHJB-UHFFFAOYSA-N 1 0 383.414 3.527 20 30 GHEDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000430099772 851574453 /nfs/dbraw/zinc/57/44/53/851574453.db2.gz FNEQQYRZXAUPKJ-HSZRJFAPSA-N 1 0 378.472 3.686 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)C1 ZINC000505503536 851612917 /nfs/dbraw/zinc/61/29/17/851612917.db2.gz RKMDRZOTRCKYHC-HSZRJFAPSA-N 1 0 375.472 3.908 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000111422588 851653340 /nfs/dbraw/zinc/65/33/40/851653340.db2.gz UFLCECDJOQNWAZ-UHFFFAOYSA-N 1 0 379.504 3.715 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000415167602 851714706 /nfs/dbraw/zinc/71/47/06/851714706.db2.gz TZJDREUHWFYJFS-BEFAXECRSA-N 1 0 380.517 3.947 20 30 GHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H](C)C1 ZINC000488732740 851727304 /nfs/dbraw/zinc/72/73/04/851727304.db2.gz KGBRCTPOEULTKZ-KSMMKXTCSA-N 1 0 386.446 3.874 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000438001139 851937169 /nfs/dbraw/zinc/93/71/69/851937169.db2.gz IRADHWBMJPDQMB-NRSPTQNISA-N 1 0 377.573 3.654 20 30 GHEDRO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329760284 862301981 /nfs/dbraw/zinc/30/19/81/862301981.db2.gz PZSFFOLKVHFXJD-QZTJIDSGSA-N 1 0 381.480 3.875 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438042987 851976629 /nfs/dbraw/zinc/97/66/29/851976629.db2.gz SAZRRZFICZHFGE-HSZRJFAPSA-N 1 0 388.515 3.867 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438143396 852077260 /nfs/dbraw/zinc/07/72/60/852077260.db2.gz UUAZUGJAIPBPGU-REWPJTCUSA-N 1 0 396.535 3.806 20 30 GHEDRO Cc1ccc(OC[C@H](O)C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000516050312 852102128 /nfs/dbraw/zinc/10/21/28/852102128.db2.gz RQENOHVSLCOBLC-SNCIUUNGSA-N 1 0 380.488 3.586 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000329802689 862331890 /nfs/dbraw/zinc/33/18/90/862331890.db2.gz KNTJEPLYQQBLGC-UHFFFAOYSA-N 1 0 387.524 3.605 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000489313939 852214211 /nfs/dbraw/zinc/21/42/11/852214211.db2.gz NXAHQNKCLBLFJG-NPPFBWRTSA-N 1 0 376.504 3.829 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000517658345 852215539 /nfs/dbraw/zinc/21/55/39/852215539.db2.gz HRKOMEKQUPHFEF-PGRDOPGGSA-N 1 0 379.504 3.598 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489337727 852228217 /nfs/dbraw/zinc/22/82/17/852228217.db2.gz AMBBLGJWOIBPHJ-SFHVURJKSA-N 1 0 393.487 3.829 20 30 GHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1cccc(N3CCCC3=O)c1)CC2 ZINC000329809333 862336398 /nfs/dbraw/zinc/33/63/98/862336398.db2.gz QBWPSZKMDIYVGH-QFUCXCTJSA-N 1 0 398.551 3.736 20 30 GHEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000489475077 852379507 /nfs/dbraw/zinc/37/95/07/852379507.db2.gz GKGDJSGTLHRHEM-GOSISDBHSA-N 1 0 380.492 3.987 20 30 GHEDRO CC[C@H](CC#N)[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000516311438 852411874 /nfs/dbraw/zinc/41/18/74/852411874.db2.gz XXGCXFQWOFDGHF-QGZVFWFLSA-N 1 0 394.475 3.558 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000506985357 852422928 /nfs/dbraw/zinc/42/29/28/852422928.db2.gz OVMJPTURZGEJOX-SFHVURJKSA-N 1 0 385.556 3.931 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c2ccccc2n1 ZINC000436870327 852433464 /nfs/dbraw/zinc/43/34/64/852433464.db2.gz LQQJBOHANDPNTF-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc(OC)c1O ZINC000438457100 852433784 /nfs/dbraw/zinc/43/37/84/852433784.db2.gz DZYFTUKETUKPEK-UHFFFAOYSA-N 1 0 393.487 3.876 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000438460136 852438526 /nfs/dbraw/zinc/43/85/26/852438526.db2.gz ZRUITXNWMDOPRD-NHCUHLMSSA-N 1 0 377.573 3.511 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000163310178 862365219 /nfs/dbraw/zinc/36/52/19/862365219.db2.gz QROULRGPPDMHIA-UHFFFAOYSA-N 1 0 376.500 3.683 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000506282334 852582786 /nfs/dbraw/zinc/58/27/86/852582786.db2.gz VVRZQYUOMMXANN-UHFFFAOYSA-N 1 0 397.906 3.691 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000517892187 852584720 /nfs/dbraw/zinc/58/47/20/852584720.db2.gz KMPNULBRLRBOCW-QFBILLFUSA-N 1 0 392.459 3.575 20 30 GHEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000329854866 862376253 /nfs/dbraw/zinc/37/62/53/862376253.db2.gz SXBQYHFOGCLYLP-QAPCUYQASA-N 1 0 379.460 3.529 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489898605 852633388 /nfs/dbraw/zinc/63/33/88/852633388.db2.gz HSXJFHPCGCTTOT-CQSZACIVSA-N 1 0 378.398 3.699 20 30 GHEDRO CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329858970 862378936 /nfs/dbraw/zinc/37/89/36/862378936.db2.gz WJFOLCWPVXBZIK-SELNLUPBSA-N 1 0 393.535 3.934 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000516520901 852678230 /nfs/dbraw/zinc/67/82/30/852678230.db2.gz XEZQJNYVWLJSBF-UHFFFAOYSA-N 1 0 380.879 3.734 20 30 GHEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437088596 852721259 /nfs/dbraw/zinc/72/12/59/852721259.db2.gz ROPZUTQHXRGWDR-KKXNLOMOSA-N 1 0 392.503 3.959 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c(OC)c1 ZINC000490047696 852734153 /nfs/dbraw/zinc/73/41/53/852734153.db2.gz FLNREFJLOPCTGP-YADHBBJMSA-N 1 0 396.531 3.740 20 30 GHEDRO COc1ccc(C2CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000490104756 852756400 /nfs/dbraw/zinc/75/64/00/852756400.db2.gz UZMDFDKWAJUGSB-HSZRJFAPSA-N 1 0 389.499 3.942 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000669032699 852765218 /nfs/dbraw/zinc/76/52/18/852765218.db2.gz SKMQLMHGINADRV-WTGUMLROSA-N 1 0 399.583 3.652 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414944587 852773033 /nfs/dbraw/zinc/77/30/33/852773033.db2.gz HBJLIQKSHSOLDH-UKRRQHHQSA-N 1 0 383.330 3.643 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(Cc1ccco1)C1CCCC1 ZINC000669033761 852785733 /nfs/dbraw/zinc/78/57/33/852785733.db2.gz YNBUIOXHJWKZKN-QUCCMNQESA-N 1 0 397.523 3.542 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000518057488 852788661 /nfs/dbraw/zinc/78/86/61/852788661.db2.gz YNFCQLNHMDYBEF-HUUCEWRRSA-N 1 0 386.565 3.650 20 30 GHEDRO N#Cc1cccc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000151205970 852805766 /nfs/dbraw/zinc/80/57/66/852805766.db2.gz HVVRZRQEGYCZQH-HNNXBMFYSA-N 1 0 380.801 3.994 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000490202109 852809966 /nfs/dbraw/zinc/80/99/66/852809966.db2.gz NHTBLQYRTJBXAU-IONDEXAJSA-N 1 0 377.479 3.954 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000516659828 852830856 /nfs/dbraw/zinc/83/08/56/852830856.db2.gz OCCZQOOVRYATKM-HOTGVXAUSA-N 1 0 397.548 3.847 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000133940285 852864158 /nfs/dbraw/zinc/86/41/58/852864158.db2.gz SJAHREKOAKJKGK-ICSRJNTNSA-N 1 0 383.536 3.829 20 30 GHEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000507409349 852881388 /nfs/dbraw/zinc/88/13/88/852881388.db2.gz WHCAHCBUEUJIPG-HYFFOGBASA-N 1 0 377.488 3.844 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000729475296 852956851 /nfs/dbraw/zinc/95/68/51/852956851.db2.gz QVWXVSDZPMALAO-OALUTQOASA-N 1 0 393.572 3.665 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(N4CCCCC4)c4ncccc34)[C@@H]2C1 ZINC000329919309 862423514 /nfs/dbraw/zinc/42/35/14/862423514.db2.gz ROMDCOPLJIZKNL-DYESRHJHSA-N 1 0 393.535 3.797 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)oc3C)c(OCC)c2)CC1 ZINC000507603628 853081252 /nfs/dbraw/zinc/08/12/52/853081252.db2.gz SBNMZXIHCIGDMR-UHFFFAOYSA-N 1 0 396.491 3.643 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000760020464 853121406 /nfs/dbraw/zinc/12/14/06/853121406.db2.gz WGPQDEBULYADTP-GHTZIAJQSA-N 1 0 381.545 3.857 20 30 GHEDRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000507717525 853198435 /nfs/dbraw/zinc/19/84/35/853198435.db2.gz KDSDVKKOGWKUBN-INIZCTEOSA-N 1 0 398.457 3.544 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000506472387 853223214 /nfs/dbraw/zinc/22/32/14/853223214.db2.gz UGFBIHSBMVMGPA-RTWAWAEBSA-N 1 0 382.552 3.520 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000437550420 853248734 /nfs/dbraw/zinc/24/87/34/853248734.db2.gz XQUVWGLSSQVLBL-NMIHRBCNSA-N 1 0 385.552 3.568 20 30 GHEDRO C[C@@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1 ZINC000437589611 853305532 /nfs/dbraw/zinc/30/55/32/853305532.db2.gz FCICADLNQUYDNI-HNNXBMFYSA-N 1 0 380.423 3.871 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000437632392 853340806 /nfs/dbraw/zinc/34/08/06/853340806.db2.gz VCNZQZVLCJKMCI-FCHUYYIVSA-N 1 0 385.552 3.843 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000437640197 853352692 /nfs/dbraw/zinc/35/26/92/853352692.db2.gz FLHOYASMEHOXLE-FGZHOGPDSA-N 1 0 385.552 3.843 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000437638311 853372206 /nfs/dbraw/zinc/37/22/06/853372206.db2.gz SNCKEWSOLPPIRV-QRICJDHISA-N 1 0 399.579 3.945 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3ccsc3)[NH+](C)C)c2c1 ZINC000517106304 853388006 /nfs/dbraw/zinc/38/80/06/853388006.db2.gz CBLAPUMYHZMHKO-KRWDZBQOSA-N 1 0 382.489 3.900 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000519714409 853420307 /nfs/dbraw/zinc/42/03/07/853420307.db2.gz OIHSLQCJESIDOP-PMACEKPBSA-N 1 0 396.583 3.951 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000519714505 853421223 /nfs/dbraw/zinc/42/12/23/853421223.db2.gz OIHSLQCJESIDOP-WOJBJXKFSA-N 1 0 396.583 3.951 20 30 GHEDRO CC1CCN(Cc2csc(NC(=O)c3coc(C4CCOCC4)n3)n2)CC1 ZINC000329970774 862469512 /nfs/dbraw/zinc/46/95/12/862469512.db2.gz VEEBWXKDUHALJL-UHFFFAOYSA-N 1 0 390.509 3.893 20 30 GHEDRO CCc1ccc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)cc1 ZINC000586784712 853546049 /nfs/dbraw/zinc/54/60/49/853546049.db2.gz VJDRJSWATISLDE-GOTSBHOMSA-N 1 0 378.516 3.934 20 30 GHEDRO C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(O)c1 ZINC000329983491 862477333 /nfs/dbraw/zinc/47/73/33/862477333.db2.gz PQHGRHIBVXWHOU-JQRITLKVSA-N 1 0 385.430 3.762 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H]2CCC2(C)C)c1C#N ZINC000517245518 853556419 /nfs/dbraw/zinc/55/64/19/853556419.db2.gz ZPVTVVSDRAHGRG-IBGZPJMESA-N 1 0 382.483 3.881 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3ccccc3n2CC(F)(F)F)CC1 ZINC000426355205 853560061 /nfs/dbraw/zinc/56/00/61/853560061.db2.gz YPLQCJPIJRFQGV-UHFFFAOYSA-N 1 0 379.426 3.974 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](CC(=O)OC)c2ccc(OC)cc2)c(O)c1 ZINC000732769284 862483760 /nfs/dbraw/zinc/48/37/60/862483760.db2.gz FTMJDQZGHRRXLO-QKYYUXOMSA-N 1 0 384.476 3.970 20 30 GHEDRO C=CC[N@@H+](CCCOc1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518751584 853714063 /nfs/dbraw/zinc/71/40/63/853714063.db2.gz YVFLLCFYNSIGEW-QGZVFWFLSA-N 1 0 381.455 3.820 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000520002729 853727008 /nfs/dbraw/zinc/72/70/08/853727008.db2.gz SQHOTFRNYDTLSN-FDDCHVKYSA-N 1 0 391.515 3.525 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc(C#N)c1 ZINC000588150789 854145086 /nfs/dbraw/zinc/14/50/86/854145086.db2.gz BGJMDXGZWZFOJJ-DVECYGJZSA-N 1 0 388.515 3.927 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000481929916 862535833 /nfs/dbraw/zinc/53/58/33/862535833.db2.gz WAVUAWSHMKKNOA-JOCHJYFZSA-N 1 0 382.529 3.920 20 30 GHEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330062289 862545377 /nfs/dbraw/zinc/54/53/77/862545377.db2.gz AQMANEGFQSXCBL-LPHOPBHVSA-N 1 0 378.561 3.774 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2OCC#N)cc1C(F)(F)F ZINC000894983905 854361799 /nfs/dbraw/zinc/36/17/99/854361799.db2.gz TYUFOENDIWMQDV-UHFFFAOYSA-N 1 0 377.366 3.922 20 30 GHEDRO CC1(C)CCc2ccccc2[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000328613919 854483587 /nfs/dbraw/zinc/48/35/87/854483587.db2.gz QSNFGFZTKGKHAF-YPAWHYETSA-N 1 0 399.579 3.972 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1coc(C2CCOCC2)n1 ZINC000328649592 854488969 /nfs/dbraw/zinc/48/89/69/854488969.db2.gz ACPNZBYUAYJLBE-APWZRJJASA-N 1 0 383.492 3.784 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623995357 862571382 /nfs/dbraw/zinc/57/13/82/862571382.db2.gz VUTBMDQIDNEHCO-HBGVWJBISA-N 1 0 386.517 3.872 20 30 GHEDRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C12CCC[NH+]1CCC2 ZINC000328751155 854527975 /nfs/dbraw/zinc/52/79/75/854527975.db2.gz CGFDRXNEWZPKLX-HNNXBMFYSA-N 1 0 382.291 3.684 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4nn(C)cc43)cc2)CC1 ZINC000328772217 854535651 /nfs/dbraw/zinc/53/56/51/854535651.db2.gz DGNXOAWBKYLDRQ-OAQYLSRUSA-N 1 0 395.551 3.733 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCCc4nn(C)cc43)cc2)CC1 ZINC000328772216 854535788 /nfs/dbraw/zinc/53/57/88/854535788.db2.gz DGNXOAWBKYLDRQ-NRFANRHFSA-N 1 0 395.551 3.733 20 30 GHEDRO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C(F)F ZINC000328814923 854546729 /nfs/dbraw/zinc/54/67/29/854546729.db2.gz CGHRMBLYTDFNKT-PBHICJAKSA-N 1 0 395.498 3.971 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)C[C@@H]1C ZINC000328816396 854547397 /nfs/dbraw/zinc/54/73/97/854547397.db2.gz OQJAFVOVKJZMSD-HKUYNNGSSA-N 1 0 393.535 3.952 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328796909 854561147 /nfs/dbraw/zinc/56/11/47/854561147.db2.gz VFMLQQVTMHWJHV-AEFFLSMTSA-N 1 0 385.508 3.538 20 30 GHEDRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328890093 854599023 /nfs/dbraw/zinc/59/90/23/854599023.db2.gz RFMURYNYRAPZLX-NRFANRHFSA-N 1 0 398.551 3.667 20 30 GHEDRO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000328942989 854611390 /nfs/dbraw/zinc/61/13/90/854611390.db2.gz LLSYHTJPFKEUIX-XMTFNYHQSA-N 1 0 376.545 3.694 20 30 GHEDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000328954816 854616063 /nfs/dbraw/zinc/61/60/63/854616063.db2.gz NASVJAOJPXALEG-OXJNMPFZSA-N 1 0 386.471 3.637 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328980281 854639687 /nfs/dbraw/zinc/63/96/87/854639687.db2.gz RHSPBGAHBFDCBA-MEQBGZRUSA-N 1 0 384.879 3.708 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000330476339 854675355 /nfs/dbraw/zinc/67/53/55/854675355.db2.gz UYXXKYHJJGALKL-UHFFFAOYSA-N 1 0 384.274 3.845 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000330732472 854751635 /nfs/dbraw/zinc/75/16/35/854751635.db2.gz JUXKUZPZQGXVNX-GFCCVEGCSA-N 1 0 386.323 3.629 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000589251335 854760550 /nfs/dbraw/zinc/76/05/50/854760550.db2.gz WKWQHPMURDCXKZ-JOCHJYFZSA-N 1 0 398.514 3.713 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000589261218 854765087 /nfs/dbraw/zinc/76/50/87/854765087.db2.gz FUTMNPPRTDWTEQ-IKGGRYGDSA-N 1 0 375.538 3.502 20 30 GHEDRO CN(C)[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000184533618 854800111 /nfs/dbraw/zinc/80/01/11/854800111.db2.gz UNPDZVVUVWPEID-SFHVURJKSA-N 1 0 387.409 3.617 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589310406 854803419 /nfs/dbraw/zinc/80/34/19/854803419.db2.gz KNJZFDMKUGRTNK-KRWDZBQOSA-N 1 0 378.394 3.723 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1CC[NH+](C)CC1 ZINC000589363657 854829160 /nfs/dbraw/zinc/82/91/60/854829160.db2.gz RVTYYVIPXRLMBN-OAHLLOKOSA-N 1 0 379.464 3.597 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000045433062 854852742 /nfs/dbraw/zinc/85/27/42/854852742.db2.gz CHRADIYOASWRLE-UHFFFAOYSA-N 1 0 393.453 3.717 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000045433356 854853075 /nfs/dbraw/zinc/85/30/75/854853075.db2.gz OVVUYGBFTSJBTR-QGZVFWFLSA-N 1 0 395.469 3.868 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC(CC)(CC)C1 ZINC000669334624 855031973 /nfs/dbraw/zinc/03/19/73/855031973.db2.gz CMEOWCKPFMCMHS-MOPGFXCFSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1ccc(CC)cc1 ZINC000669336777 855062484 /nfs/dbraw/zinc/06/24/84/855062484.db2.gz TVODINDBFQALTI-RTWAWAEBSA-N 1 0 395.551 3.589 20 30 GHEDRO O=C(CN1CCS[C@@H]2COCC[C@@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179691 862637109 /nfs/dbraw/zinc/63/71/09/862637109.db2.gz MQEKTHIMZZDIBS-JKSUJKDBSA-N 1 0 393.509 3.744 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1C ZINC000589743953 855120742 /nfs/dbraw/zinc/12/07/42/855120742.db2.gz SGLSNUKVDATHAS-MDNUFGMLSA-N 1 0 397.563 3.956 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3)c2CCC)CC1 ZINC000106036287 855170487 /nfs/dbraw/zinc/17/04/87/855170487.db2.gz UPWSUDCMJPCMLE-UHFFFAOYSA-N 1 0 380.536 3.654 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nccn2-c2cccc(C)c2C)CC1 ZINC000106039161 855171819 /nfs/dbraw/zinc/17/18/19/855171819.db2.gz QBDVHFMQNXBQAI-UHFFFAOYSA-N 1 0 398.576 3.738 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168626740 855184591 /nfs/dbraw/zinc/18/45/91/855184591.db2.gz YOYKEGOLQTYEQY-CTNGQTDRSA-N 1 0 388.508 3.540 20 30 GHEDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186428503 855235220 /nfs/dbraw/zinc/23/52/20/855235220.db2.gz BSDRHJGYBLKKQQ-OAHLLOKOSA-N 1 0 382.426 3.904 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](CCC(C)(C)C)CC2)c1C ZINC000055931700 855434978 /nfs/dbraw/zinc/43/49/78/855434978.db2.gz RTSHOORDCUTDKJ-UHFFFAOYSA-N 1 0 384.568 3.604 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)COc3ccc(C#N)cc3)cc2)C1 ZINC000107712478 855525231 /nfs/dbraw/zinc/52/52/31/855525231.db2.gz RRCIGWPYUGSCSE-RTBURBONSA-N 1 0 391.515 3.731 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1C#N ZINC000590756115 855565165 /nfs/dbraw/zinc/56/51/65/855565165.db2.gz GMXWWHUYXKJPLF-IOMROCGXSA-N 1 0 398.551 3.823 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000508896791 855660281 /nfs/dbraw/zinc/66/02/81/855660281.db2.gz UDWYCADDQMRCSY-UHFFFAOYSA-N 1 0 393.560 3.747 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000330264900 862705775 /nfs/dbraw/zinc/70/57/75/862705775.db2.gz YMEGDHMYJGMBAQ-UNMCSNQZSA-N 1 0 385.552 3.841 20 30 GHEDRO C[C@H](C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)CO)c1ccccc1 ZINC000553944314 855703776 /nfs/dbraw/zinc/70/37/76/855703776.db2.gz QQEWFOCREJITOC-CVEARBPZSA-N 1 0 385.895 3.637 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@](C)(CO)c3ccccc3)sc2C1 ZINC000591014001 855722661 /nfs/dbraw/zinc/72/26/61/855722661.db2.gz KMMSQTYWSRZZGI-IVZQSRNASA-N 1 0 397.544 3.570 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000330279146 862716537 /nfs/dbraw/zinc/71/65/37/862716537.db2.gz QOSCUDGASXMNOR-RXVVDRJESA-N 1 0 395.551 3.791 20 30 GHEDRO Cc1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1Br ZINC000301977742 855792760 /nfs/dbraw/zinc/79/27/60/855792760.db2.gz DTADGHVBUPIAOD-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO CCOc1ccc(C[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000591150306 855798301 /nfs/dbraw/zinc/79/83/01/855798301.db2.gz YYLHCAYYRSDWME-IBGZPJMESA-N 1 0 393.531 3.726 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000302007915 855799577 /nfs/dbraw/zinc/79/95/77/855799577.db2.gz AYQXCNGYXUFHNW-IRXDYDNUSA-N 1 0 377.488 3.982 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000591156572 855800530 /nfs/dbraw/zinc/80/05/30/855800530.db2.gz ZDJHZGGNMRCSEB-NRFANRHFSA-N 1 0 383.536 3.950 20 30 GHEDRO N#Cc1cc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1C(F)(F)F ZINC000302210691 855839716 /nfs/dbraw/zinc/83/97/16/855839716.db2.gz YVXHRCRLHDMMIU-QZTJIDSGSA-N 1 0 375.394 3.624 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N(C)C ZINC000573101205 855865500 /nfs/dbraw/zinc/86/55/00/855865500.db2.gz PRVCLGVRXFOPBR-NHCUHLMSSA-N 1 0 377.488 3.753 20 30 GHEDRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000057958469 855875643 /nfs/dbraw/zinc/87/56/43/855875643.db2.gz MGJUETJHBUNMNV-QGZVFWFLSA-N 1 0 394.544 3.589 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)c1 ZINC000591277149 855879998 /nfs/dbraw/zinc/87/99/98/855879998.db2.gz GWAJMFFSJZRSCZ-MSOLQXFVSA-N 1 0 391.475 3.599 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)c1 ZINC000554421088 855898649 /nfs/dbraw/zinc/89/86/49/855898649.db2.gz UKWOZTNTXNMDPT-SFHVURJKSA-N 1 0 394.544 3.820 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000591308956 855902657 /nfs/dbraw/zinc/90/26/57/855902657.db2.gz FQRJIBBNXFFZFX-IRXDYDNUSA-N 1 0 378.501 3.783 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000108512022 855919919 /nfs/dbraw/zinc/91/99/19/855919919.db2.gz MNNDETMMOZZIDB-QGZVFWFLSA-N 1 0 394.475 3.822 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000591410017 855963513 /nfs/dbraw/zinc/96/35/13/855963513.db2.gz MLXGAKMRZFOHNR-BVYCBKJFSA-N 1 0 378.520 3.594 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCO[C@@H](c3ccc(OC)cc3)C1)CC2 ZINC001168651536 855983882 /nfs/dbraw/zinc/98/38/82/855983882.db2.gz WSOVYECMMBSDNI-FJIJXJHWSA-N 1 0 398.547 3.948 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000181090928 862747683 /nfs/dbraw/zinc/74/76/83/862747683.db2.gz JRAKIUNULOHSGW-SESVDKBCSA-N 1 0 378.605 3.710 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000123168844 856021101 /nfs/dbraw/zinc/02/11/01/856021101.db2.gz KDZVWONRHFAXJH-OAQYLSRUSA-N 1 0 396.491 3.829 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1 ZINC000148856501 856037969 /nfs/dbraw/zinc/03/79/69/856037969.db2.gz FLYRICGOCFQKFE-WMZOPIPTSA-N 1 0 382.533 3.892 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000438633799 856075616 /nfs/dbraw/zinc/07/56/16/856075616.db2.gz HHOYNJGFBZMJPP-QGZVFWFLSA-N 1 0 390.409 3.871 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000905087166 856144207 /nfs/dbraw/zinc/14/42/07/856144207.db2.gz DRJBZTCEHIRAEW-SFHVURJKSA-N 1 0 391.302 3.552 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)CC1 ZINC000106037612 856181137 /nfs/dbraw/zinc/18/11/37/856181137.db2.gz DJXRNAGBAZFUFZ-UHFFFAOYSA-N 1 0 377.554 3.811 20 30 GHEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000181134876 862766777 /nfs/dbraw/zinc/76/67/77/862766777.db2.gz LNNVZLAQRAYPSN-GGAORHGYSA-N 1 0 395.478 3.516 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000485232180 856239162 /nfs/dbraw/zinc/23/91/62/856239162.db2.gz PXRFFCDAQPVEIA-FQEVSTJZSA-N 1 0 393.487 3.639 20 30 GHEDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c(OC(C)(C)C)c1 ZINC000591749463 856240045 /nfs/dbraw/zinc/24/00/45/856240045.db2.gz ZICAKVQMOGNUHG-FQEVSTJZSA-N 1 0 382.504 3.768 20 30 GHEDRO Cc1cc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(C)c(C)c1C#N ZINC001128712029 856247082 /nfs/dbraw/zinc/24/70/82/856247082.db2.gz BTKLHCCAZLHPGZ-FPOVZHCZSA-N 1 0 394.519 3.637 20 30 GHEDRO COc1ccc([C@@H]2C[C@@H]([NH+]3CCN(c4ccc(C#N)cc4)CC3)CCO2)cc1 ZINC001168662436 856294646 /nfs/dbraw/zinc/29/46/46/856294646.db2.gz OJBHVYHLFBBGNO-GMAHTHKFSA-N 1 0 377.488 3.609 20 30 GHEDRO N#Cc1ccc(NCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000109433812 856304881 /nfs/dbraw/zinc/30/48/81/856304881.db2.gz GOHRISGEWHRDAQ-UHFFFAOYSA-N 1 0 376.504 3.663 20 30 GHEDRO C[N@H+](CCc1cccc(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1)C1CC1 ZINC000485303116 856335202 /nfs/dbraw/zinc/33/52/02/856335202.db2.gz OBRWJTRLRVJKFV-QHCPKHFHSA-N 1 0 388.515 3.802 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000482187995 862788011 /nfs/dbraw/zinc/78/80/11/862788011.db2.gz QAAFVDQPWYFHGK-QHCPKHFHSA-N 1 0 392.547 3.899 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764804 856368484 /nfs/dbraw/zinc/36/84/84/856368484.db2.gz MJVSJWDHIIXMQY-UHFFFAOYSA-N 1 0 379.489 3.704 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000591929167 856404799 /nfs/dbraw/zinc/40/47/99/856404799.db2.gz KIPRLPVQESSWOP-GOSISDBHSA-N 1 0 392.890 3.939 20 30 GHEDRO CCn1cc(-c2n[nH]cc2C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000330301964 862818517 /nfs/dbraw/zinc/81/85/17/862818517.db2.gz JFBMQTYRBXASLI-UHFFFAOYSA-N 1 0 384.528 3.641 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000281053910 862822638 /nfs/dbraw/zinc/82/26/38/862822638.db2.gz YFDKRNKRDZHMGZ-FGZHOGPDSA-N 1 0 385.552 3.542 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000281053913 862822834 /nfs/dbraw/zinc/82/28/34/862822834.db2.gz YFDKRNKRDZHMGZ-VXKWHMMOSA-N 1 0 385.552 3.542 20 30 GHEDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000330306669 862822950 /nfs/dbraw/zinc/82/29/50/862822950.db2.gz ROZNFAZPJVFHGE-UHFFFAOYSA-N 1 0 380.370 3.687 20 30 GHEDRO C[C@@H]1CN(Cc2csc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)n2)C[C@H](C)O1 ZINC000330308223 862823742 /nfs/dbraw/zinc/82/37/42/862823742.db2.gz SQCLDINQTZRQLT-HLLBOEOZSA-N 1 0 380.558 3.605 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)cc1 ZINC000592145500 856697211 /nfs/dbraw/zinc/69/72/11/856697211.db2.gz SVXWXFLKLXHVQW-SFHVURJKSA-N 1 0 380.366 3.549 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592178082 856763159 /nfs/dbraw/zinc/76/31/59/856763159.db2.gz VRZLPSCCSRVLMY-QFIPXVFZSA-N 1 0 375.472 3.546 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)CC1 ZINC000592336019 856792666 /nfs/dbraw/zinc/79/26/66/856792666.db2.gz OSQOQPUOLHRJRB-UHFFFAOYSA-N 1 0 385.487 3.790 20 30 GHEDRO N#Cc1ccc(F)c(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000888367300 856827068 /nfs/dbraw/zinc/82/70/68/856827068.db2.gz BHHPMRLWUPEXMH-JOCHJYFZSA-N 1 0 378.451 3.827 20 30 GHEDRO CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000063286509 856925374 /nfs/dbraw/zinc/92/53/74/856925374.db2.gz OZNYFKUEOUSEDY-QGZVFWFLSA-N 1 0 386.517 3.814 20 30 GHEDRO C[N@H+](CCOc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000007685564 856968627 /nfs/dbraw/zinc/96/86/27/856968627.db2.gz PIWLPCVHDUEXGR-UHFFFAOYSA-N 1 0 383.517 3.838 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000063753521 857050634 /nfs/dbraw/zinc/05/06/34/857050634.db2.gz OXXMKFCXSGLFBD-UHFFFAOYSA-N 1 0 390.487 3.519 20 30 GHEDRO N#Cc1sccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000906487272 857117324 /nfs/dbraw/zinc/11/73/24/857117324.db2.gz AGYMJPYAAGJFIB-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CC1 ZINC000592897875 857128792 /nfs/dbraw/zinc/12/87/92/857128792.db2.gz VCJGBVCARBKVDT-UHFFFAOYSA-N 1 0 392.475 3.784 20 30 GHEDRO C[NH+]1CCC(NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000665508872 862876590 /nfs/dbraw/zinc/87/65/90/862876590.db2.gz OTFOIFLGNCHEMN-UHFFFAOYSA-N 1 0 386.311 3.800 20 30 GHEDRO Cn1ccc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc21 ZINC000173804428 857158527 /nfs/dbraw/zinc/15/85/27/857158527.db2.gz ZLCUEGFCTMWDLW-UHFFFAOYSA-N 1 0 375.476 3.646 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000174361853 857264004 /nfs/dbraw/zinc/26/40/04/857264004.db2.gz CPRRTJQDULXMNY-UHFFFAOYSA-N 1 0 390.531 3.508 20 30 GHEDRO C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282216806 857401001 /nfs/dbraw/zinc/40/10/01/857401001.db2.gz IGVGPSBQBZXVMK-UHFFFAOYSA-N 1 0 399.539 3.505 20 30 GHEDRO C=CCSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000486249824 857579774 /nfs/dbraw/zinc/57/97/74/857579774.db2.gz KPAJOSWHVFIUSS-IEBWSBKVSA-N 1 0 376.566 3.832 20 30 GHEDRO N#CC1(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000593431048 857586256 /nfs/dbraw/zinc/58/62/56/857586256.db2.gz TWPHKTMMOQTKRZ-QHCPKHFHSA-N 1 0 380.536 3.768 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)C1 ZINC000592502334 857614757 /nfs/dbraw/zinc/61/47/57/857614757.db2.gz QURFUFHTOSLIQJ-GLJUWKHASA-N 1 0 389.425 3.898 20 30 GHEDRO CCCc1nc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000486344349 857664450 /nfs/dbraw/zinc/66/44/50/857664450.db2.gz JVEVEUIQOKAGJE-UHFFFAOYSA-N 1 0 385.537 3.871 20 30 GHEDRO C=CCn1c(-c2cc(C)cs2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000624862386 857884597 /nfs/dbraw/zinc/88/45/97/857884597.db2.gz WTYDNGZNDRVMRB-WMZOPIPTSA-N 1 0 383.565 3.954 20 30 GHEDRO C=CCn1c(-c2cc(C)cs2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000624862384 857885059 /nfs/dbraw/zinc/88/50/59/857885059.db2.gz WTYDNGZNDRVMRB-FUHWJXTLSA-N 1 0 383.565 3.954 20 30 GHEDRO COC1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000521402435 857958806 /nfs/dbraw/zinc/95/88/06/857958806.db2.gz HLBFHPKYYJKHIQ-FHERZECASA-N 1 0 389.565 3.963 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C#N)CCC[C@H](C)C2)C1 ZINC001127160441 857976988 /nfs/dbraw/zinc/97/69/88/857976988.db2.gz AQHHXZRLRAKVAO-MHECFPHRSA-N 1 0 392.547 3.996 20 30 GHEDRO COc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C2CC2)cc1Cl ZINC000594207366 857978617 /nfs/dbraw/zinc/97/86/17/857978617.db2.gz YKMQNCKIAKPNIF-UHFFFAOYSA-N 1 0 378.904 3.925 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000521493064 858042616 /nfs/dbraw/zinc/04/26/16/858042616.db2.gz OUQWXSMSZGVMKO-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)CC1 ZINC000521520845 858088823 /nfs/dbraw/zinc/08/88/23/858088823.db2.gz HNOYHIWRBVTMFB-UHFFFAOYSA-N 1 0 378.467 3.727 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC1CCC(C#N)CC1 ZINC000442741721 858104141 /nfs/dbraw/zinc/10/41/41/858104141.db2.gz WBJTZFFDPATOJY-UHFFFAOYSA-N 1 0 376.570 3.931 20 30 GHEDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000574755410 858161305 /nfs/dbraw/zinc/16/13/05/858161305.db2.gz MFPUBJUTWXARJF-IAGOWNOFSA-N 1 0 392.381 3.935 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114683296 858167497 /nfs/dbraw/zinc/16/74/97/858167497.db2.gz WNLYAYMFSOSJBY-FQEVSTJZSA-N 1 0 391.515 3.987 20 30 GHEDRO COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442874596 858191509 /nfs/dbraw/zinc/19/15/09/858191509.db2.gz RDVOXEIHQYBLSJ-MWLCHTKSSA-N 1 0 390.652 3.735 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C#N)cc3)C2)c1 ZINC000594497900 858192306 /nfs/dbraw/zinc/19/23/06/858192306.db2.gz KWXHUYSSCYQUFV-IBGZPJMESA-N 1 0 379.504 3.873 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000594502251 858194188 /nfs/dbraw/zinc/19/41/88/858194188.db2.gz MACYRVIKJUFKBL-UHFFFAOYSA-N 1 0 375.472 3.654 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000594468993 858199808 /nfs/dbraw/zinc/19/98/08/858199808.db2.gz RYJFLXHSJKDNII-GFCCVEGCSA-N 1 0 393.310 3.922 20 30 GHEDRO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000594518838 858207663 /nfs/dbraw/zinc/20/76/63/858207663.db2.gz LUVYJBSPKRSKCO-LJQANCHMSA-N 1 0 382.508 3.662 20 30 GHEDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCO1 ZINC000442891882 858212960 /nfs/dbraw/zinc/21/29/60/858212960.db2.gz OJEYPDPTNHOSHD-XOBRGWDASA-N 1 0 375.538 3.574 20 30 GHEDRO COC(=O)[C@]12C[N@H+](Cc3ccc(OC)c(OCCCC#N)c3)C[C@H]1CCCC2 ZINC000594609343 858240886 /nfs/dbraw/zinc/24/08/86/858240886.db2.gz SPIQBEBOOGILNB-XMSQKQJNSA-N 1 0 386.492 3.543 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)cc1OCCCC#N ZINC000594612451 858241959 /nfs/dbraw/zinc/24/19/59/858241959.db2.gz LBWRECGOIPICQU-UHFFFAOYSA-N 1 0 396.491 3.520 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443082832 858357543 /nfs/dbraw/zinc/35/75/43/858357543.db2.gz ZHKKCASNJJGZFI-CQSZACIVSA-N 1 0 391.924 3.619 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cnc(-c4ccncc4)s3)CCOCC2)c1 ZINC000594983209 858357700 /nfs/dbraw/zinc/35/77/00/858357700.db2.gz HWNWHFZSFLYBIO-UHFFFAOYSA-N 1 0 376.485 3.872 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Oc4cnccn4)cc3)CCOCC2)c1 ZINC000594985062 858358069 /nfs/dbraw/zinc/35/80/69/858358069.db2.gz UROOXTXNJRUZCG-UHFFFAOYSA-N 1 0 386.455 3.936 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccc(C#N)cc1 ZINC000046715202 858397697 /nfs/dbraw/zinc/39/76/97/858397697.db2.gz LIOVTKJQRPRTQP-SFHVURJKSA-N 1 0 377.488 3.628 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000508414470 858435688 /nfs/dbraw/zinc/43/56/88/858435688.db2.gz UBSMOGGAIMEJBS-OAQYLSRUSA-N 1 0 385.552 3.905 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(C#N)c3)CC2)cc1 ZINC000166113311 858444251 /nfs/dbraw/zinc/44/42/51/858444251.db2.gz NAWMIVLPYTWAOG-UHFFFAOYSA-N 1 0 380.448 3.799 20 30 GHEDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[C@H](O)C12CCCC2 ZINC000330343131 863026434 /nfs/dbraw/zinc/02/64/34/863026434.db2.gz BQJMUNKFHDNXFW-NRFANRHFSA-N 1 0 385.552 3.856 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000574972852 858479497 /nfs/dbraw/zinc/47/94/97/858479497.db2.gz PFSRVSCUHHSVSQ-FQEVSTJZSA-N 1 0 392.551 3.929 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000521960478 858487766 /nfs/dbraw/zinc/48/77/66/858487766.db2.gz ZUGLMFBOVYZLEP-UHFFFAOYSA-N 1 0 390.487 3.853 20 30 GHEDRO CC(C)(C)n1nnc(CC[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000595359608 858517450 /nfs/dbraw/zinc/51/74/50/858517450.db2.gz NXVPLFCFISGQGQ-UHFFFAOYSA-N 1 0 392.482 3.684 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000115439699 858529771 /nfs/dbraw/zinc/52/97/71/858529771.db2.gz LEIKFCPQXATBIF-IBGZPJMESA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000595443713 858531420 /nfs/dbraw/zinc/53/14/20/858531420.db2.gz HTPLDLUHBZHYGF-ZCNNSNEGSA-N 1 0 382.552 4.000 20 30 GHEDRO N#Cc1ccc(NC(=O)CCN2CCC([NH2+]Cc3ccccc3)CC2)cc1Cl ZINC000595511934 858548922 /nfs/dbraw/zinc/54/89/22/858548922.db2.gz VXLSXPALIZGWIJ-UHFFFAOYSA-N 1 0 396.922 3.794 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511896 858549031 /nfs/dbraw/zinc/54/90/31/858549031.db2.gz VAXLIWCVTGIURG-FQEVSTJZSA-N 1 0 390.531 3.576 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168707973 858563311 /nfs/dbraw/zinc/56/33/11/858563311.db2.gz MKGIBJJTLCIDSW-GOSISDBHSA-N 1 0 379.891 3.573 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000522073299 858592879 /nfs/dbraw/zinc/59/28/79/858592879.db2.gz CXIQQZVKWURDTN-OALUTQOASA-N 1 0 376.504 3.723 20 30 GHEDRO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)C[C@H](O)COc2ccc(CC#N)cc2)CO1 ZINC000595639427 858634781 /nfs/dbraw/zinc/63/47/81/858634781.db2.gz XWKOCFOPFWDKQO-VXKWHMMOSA-N 1 0 394.515 3.562 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000466191191 858667458 /nfs/dbraw/zinc/66/74/58/858667458.db2.gz FQXCCKYHQKCFEA-UHFFFAOYSA-N 1 0 394.494 3.547 20 30 GHEDRO COc1cc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000595743357 858672166 /nfs/dbraw/zinc/67/21/66/858672166.db2.gz MVVCMUYLAWKGQA-IAGOWNOFSA-N 1 0 380.488 3.595 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)c1cccc(Cl)c1 ZINC000595791033 858689677 /nfs/dbraw/zinc/68/96/77/858689677.db2.gz TUPBMDRPXNMMKL-PXNSSMCTSA-N 1 0 389.927 3.868 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](O)C23CCCC3)cc1 ZINC000330352952 863058411 /nfs/dbraw/zinc/05/84/11/863058411.db2.gz NWSSGBSEBMQTFK-WIYYLYMNSA-N 1 0 385.552 3.854 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCc4ccccc4-n4ccnc43)CC2)cc1 ZINC000596061475 858766973 /nfs/dbraw/zinc/76/69/73/858766973.db2.gz KFYMYTPRADZKPI-QHCPKHFHSA-N 1 0 397.526 3.985 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCc4ccccc4-n4ccnc43)CC2)cc1 ZINC000596060791 858767074 /nfs/dbraw/zinc/76/70/74/858767074.db2.gz HUPRVQLWDAPGQN-JOCHJYFZSA-N 1 0 383.499 3.990 20 30 GHEDRO COc1cccc([C@H](C)[NH+]2CCN(c3cc(C)c([N+](=O)[O-])c(C#N)c3)CC2)c1 ZINC000596107293 858795231 /nfs/dbraw/zinc/79/52/31/858795231.db2.gz MEBIZXAVCWIBJV-INIZCTEOSA-N 1 0 380.448 3.667 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CCO)C2CCCCC2)c1C#N ZINC000111303492 858815853 /nfs/dbraw/zinc/81/58/53/858815853.db2.gz KSVALWPCJKJYNU-UHFFFAOYSA-N 1 0 386.540 3.657 20 30 GHEDRO Cc1nc2cc(NC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)ccc2o1 ZINC000593171140 858872421 /nfs/dbraw/zinc/87/24/21/858872421.db2.gz UFLAYVGXKPSAIZ-UHFFFAOYSA-N 1 0 389.459 3.794 20 30 GHEDRO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000116167803 858874006 /nfs/dbraw/zinc/87/40/06/858874006.db2.gz NOLKDHRLPABROC-GOSISDBHSA-N 1 0 379.479 3.925 20 30 GHEDRO CS[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000543231963 858966779 /nfs/dbraw/zinc/96/67/79/858966779.db2.gz KITVTBRLKVCXOO-IBGZPJMESA-N 1 0 388.581 3.553 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000116435533 858973013 /nfs/dbraw/zinc/97/30/13/858973013.db2.gz BWBOLCHSTGUPKZ-SFHVURJKSA-N 1 0 376.504 3.925 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000153203749 881367337 /nfs/dbraw/zinc/36/73/37/881367337.db2.gz YWZSFILOFWANQQ-GJZGRUSLSA-N 1 0 381.423 3.947 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000483018684 859069137 /nfs/dbraw/zinc/06/91/37/859069137.db2.gz QOJZSBBCYMEWDP-HSZRJFAPSA-N 1 0 394.519 3.795 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1OC(F)(F)F ZINC000596893352 859131222 /nfs/dbraw/zinc/13/12/22/859131222.db2.gz GAPWXPDPXDGNFS-CQSZACIVSA-N 1 0 396.413 3.700 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116817336 859175197 /nfs/dbraw/zinc/17/51/97/859175197.db2.gz SFXADUJVEYPNFY-CQSZACIVSA-N 1 0 387.867 3.558 20 30 GHEDRO COc1cc(NC(=O)NC(C)(C)c2cccc(C#N)c2)ccc1OCC[NH+](C)C ZINC000596931048 859195234 /nfs/dbraw/zinc/19/52/34/859195234.db2.gz HNIKZYFEKKWPRZ-UHFFFAOYSA-N 1 0 396.491 3.564 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000601390793 859236861 /nfs/dbraw/zinc/23/68/61/859236861.db2.gz IIITZTAKBUBDKA-JXFKEZNVSA-N 1 0 385.870 3.968 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597015242 859252187 /nfs/dbraw/zinc/25/21/87/859252187.db2.gz YJNUMDAHUGJUKV-QGZVFWFLSA-N 1 0 393.453 3.865 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483261771 859255384 /nfs/dbraw/zinc/25/53/84/859255384.db2.gz UCDIGXHTPPYWGB-QGZVFWFLSA-N 1 0 384.785 3.932 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O)C(C)C ZINC000160864154 859289013 /nfs/dbraw/zinc/28/90/13/859289013.db2.gz FZLRDDNCDUHICS-QFIPXVFZSA-N 1 0 398.551 3.806 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000042643465 859299096 /nfs/dbraw/zinc/29/90/96/859299096.db2.gz XNEDMXZVFVWIIC-HXUWFJFHSA-N 1 0 390.531 3.710 20 30 GHEDRO Cc1ccc(C[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2ccccn2)cc1 ZINC000522384751 859306701 /nfs/dbraw/zinc/30/67/01/859306701.db2.gz QISYIZRIRFEKCF-RZFNWQHOSA-N 1 0 378.520 3.706 20 30 GHEDRO CC[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469369 859323710 /nfs/dbraw/zinc/32/37/10/859323710.db2.gz QQGSGHCFKCQDLI-TZIWHRDSSA-N 1 0 390.531 3.584 20 30 GHEDRO CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597320130 859453501 /nfs/dbraw/zinc/45/35/01/859453501.db2.gz QAXFUGCYNAXHOA-UHFFFAOYSA-N 1 0 384.430 3.610 20 30 GHEDRO N#Cc1cccc(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1 ZINC000466425468 859456022 /nfs/dbraw/zinc/45/60/22/859456022.db2.gz NJNZCDUHJFPNGE-UHFFFAOYSA-N 1 0 387.277 3.814 20 30 GHEDRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1nc(C)cs1 ZINC000593340308 859479815 /nfs/dbraw/zinc/47/98/15/859479815.db2.gz YLTKBRCBKMCCFP-LJQANCHMSA-N 1 0 397.548 3.738 20 30 GHEDRO C[C@H](CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[NH+]1CCCCC1 ZINC000543386692 859511455 /nfs/dbraw/zinc/51/14/55/859511455.db2.gz ZVBKGLIXZBUJKS-QGZVFWFLSA-N 1 0 381.476 3.725 20 30 GHEDRO CC(C)(C)OC1CC(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593350685 859524610 /nfs/dbraw/zinc/52/46/10/859524610.db2.gz DORDMPQKTATWPV-UHFFFAOYSA-N 1 0 383.536 3.623 20 30 GHEDRO CSc1c(F)cccc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593351177 859526362 /nfs/dbraw/zinc/52/63/62/859526362.db2.gz JQQDFLLWXJNISD-UHFFFAOYSA-N 1 0 383.492 3.814 20 30 GHEDRO CC[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593351580 859528636 /nfs/dbraw/zinc/52/86/36/859528636.db2.gz MOESVYGUJPYBTK-JOCHJYFZSA-N 1 0 379.479 3.972 20 30 GHEDRO C[C@@H](Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352456 859535208 /nfs/dbraw/zinc/53/52/08/859535208.db2.gz AWJQIIASXJUWJM-KRWDZBQOSA-N 1 0 379.479 3.657 20 30 GHEDRO CC[C@H](Oc1ccccc1C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352519 859535228 /nfs/dbraw/zinc/53/52/28/859535228.db2.gz DHZJBSVIYLPPBG-QFIPXVFZSA-N 1 0 391.515 3.805 20 30 GHEDRO CCOc1ccccc1CCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593353089 859537934 /nfs/dbraw/zinc/53/79/34/859537934.db2.gz NWCAXDREMWAIGB-UHFFFAOYSA-N 1 0 391.515 3.670 20 30 GHEDRO Cc1ccc(Cl)c(OCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593353196 859539366 /nfs/dbraw/zinc/53/93/66/859539366.db2.gz PPWODYKQOPKYEV-UHFFFAOYSA-N 1 0 397.906 3.680 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4c(s3)CCCC4)CC2)c1 ZINC000593353565 859548225 /nfs/dbraw/zinc/54/82/25/859548225.db2.gz SYLPGQWDVSYJSV-UHFFFAOYSA-N 1 0 379.529 3.893 20 30 GHEDRO C[C@@H](SCc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355303 859559090 /nfs/dbraw/zinc/55/90/90/859559090.db2.gz NSXFNEDQCJKXEX-GOSISDBHSA-N 1 0 393.556 3.961 20 30 GHEDRO N#CC1(NC(=O)c2cccc(-c3cnco3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000597475617 859562765 /nfs/dbraw/zinc/56/27/65/859562765.db2.gz LGVHHPAFCXVRQE-UHFFFAOYSA-N 1 0 386.455 3.630 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cnco4)cc3)CC2)c1 ZINC000593355924 859565163 /nfs/dbraw/zinc/56/51/63/859565163.db2.gz SPHCOGIHMKBXCE-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000764698619 859571887 /nfs/dbraw/zinc/57/18/87/859571887.db2.gz BEGYJEVSGUWHSE-YKSBVNFPSA-N 1 0 378.516 3.731 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560662 881443701 /nfs/dbraw/zinc/44/37/01/881443701.db2.gz YNOAMAFKDZZFJJ-OAQYLSRUSA-N 1 0 382.483 3.586 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000601902407 859620360 /nfs/dbraw/zinc/62/03/60/859620360.db2.gz FJSZQQGSDBTWQS-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO CCOC(=O)c1csc(CC2CC[NH+](Cc3cc(C#N)cs3)CC2)n1 ZINC000895556607 859650636 /nfs/dbraw/zinc/65/06/36/859650636.db2.gz HGDJYTMYBZHHEO-UHFFFAOYSA-N 1 0 375.519 3.708 20 30 GHEDRO N#CCCn1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(-c2ccccc2)n1 ZINC000611273870 859676698 /nfs/dbraw/zinc/67/66/98/859676698.db2.gz VLDIITVEIVUPPI-UHFFFAOYSA-N 1 0 382.471 3.939 20 30 GHEDRO CCc1nc2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2o1 ZINC000118045741 859699223 /nfs/dbraw/zinc/69/92/23/859699223.db2.gz KHDRYMRBDHECIG-UHFFFAOYSA-N 1 0 391.475 3.858 20 30 GHEDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000602004568 859702384 /nfs/dbraw/zinc/70/23/84/859702384.db2.gz VUCICXURUHMIJZ-FQEVSTJZSA-N 1 0 379.479 3.972 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350190 859713644 /nfs/dbraw/zinc/71/36/44/859713644.db2.gz DRMMLQPJHSPNRZ-CEXWTWQISA-N 1 0 387.499 3.599 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1)c1cccc(Cl)c1 ZINC000611350793 859715074 /nfs/dbraw/zinc/71/50/74/859715074.db2.gz SFJLVXULJFMNOG-ZWKOTPCHSA-N 1 0 389.927 3.725 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H]([NH+]3CCCCC3)C2)c1=S ZINC000764991007 859720807 /nfs/dbraw/zinc/72/08/07/859720807.db2.gz RVAFOVPOQZFBHB-IBGZPJMESA-N 1 0 398.580 3.570 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000765011906 859727130 /nfs/dbraw/zinc/72/71/30/859727130.db2.gz FGZVVIYNERWBOT-CYBMUJFWSA-N 1 0 377.366 3.964 20 30 GHEDRO C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@H](C[NH+](C)C)C2)c1=S ZINC000765011889 859727254 /nfs/dbraw/zinc/72/72/54/859727254.db2.gz KQTRLXZZPPJHEV-OAHLLOKOSA-N 1 0 391.972 3.761 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1C ZINC000765002477 859730666 /nfs/dbraw/zinc/73/06/66/859730666.db2.gz UBEDNWXCYKMNLV-NRFANRHFSA-N 1 0 376.504 3.510 20 30 GHEDRO CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611386196 859730870 /nfs/dbraw/zinc/73/08/70/859730870.db2.gz BBULQTHNOJNSIN-ZDUSSCGKSA-N 1 0 385.489 3.648 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000611392455 859735089 /nfs/dbraw/zinc/73/50/89/859735089.db2.gz RFBOWJQMVHSWKI-QFIPXVFZSA-N 1 0 395.528 3.510 20 30 GHEDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1OCc1ccccc1 ZINC000611465631 859770753 /nfs/dbraw/zinc/77/07/53/859770753.db2.gz NIMPLIOSDUCWEH-FGZHOGPDSA-N 1 0 390.531 3.896 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000597856550 859875210 /nfs/dbraw/zinc/87/52/10/859875210.db2.gz ZCCZXIVYPROGSV-MRXNPFEDSA-N 1 0 381.476 3.580 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000602257869 859882917 /nfs/dbraw/zinc/88/29/17/859882917.db2.gz DIQPWIFITMWQKB-HNNXBMFYSA-N 1 0 384.505 3.526 20 30 GHEDRO N#Cc1sccc1N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000597934017 859922140 /nfs/dbraw/zinc/92/21/40/859922140.db2.gz UMAVNLVPLOWVLL-UHFFFAOYSA-N 1 0 394.544 3.568 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000765357650 859926157 /nfs/dbraw/zinc/92/61/57/859926157.db2.gz BQCNBKGAGDJLOX-WZONZLPQSA-N 1 0 382.479 3.562 20 30 GHEDRO C=CCC1(O)CC[NH+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000895835919 859997254 /nfs/dbraw/zinc/99/72/54/859997254.db2.gz QMJSAIGFISUNEL-UHFFFAOYSA-N 1 0 380.488 3.851 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000602402569 859999501 /nfs/dbraw/zinc/99/95/01/859999501.db2.gz RYVPNPHSYFFYPZ-UHFFFAOYSA-N 1 0 394.523 3.712 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C[C@@H]1C(F)(F)F ZINC000895862500 860000986 /nfs/dbraw/zinc/00/09/86/860000986.db2.gz XPBVRZBNDNLEDK-FJIDUMEYSA-N 1 0 380.410 3.525 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484467294 860009831 /nfs/dbraw/zinc/00/98/31/860009831.db2.gz PAFHGVNIAFDCMV-WFASDCNBSA-N 1 0 382.386 3.547 20 30 GHEDRO CC(C)C(=O)N1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000123598685 860011013 /nfs/dbraw/zinc/01/10/13/860011013.db2.gz KVNRYDGEVAFEGR-UHFFFAOYSA-N 1 0 391.515 3.828 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000602517065 860068685 /nfs/dbraw/zinc/06/86/85/860068685.db2.gz AWACOVWKQALVCA-IBGZPJMESA-N 1 0 395.503 3.728 20 30 GHEDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CCCCC1 ZINC000602518254 860071014 /nfs/dbraw/zinc/07/10/14/860071014.db2.gz OMKYZFKASHTOTE-PZJWPPBQSA-N 1 0 385.552 3.911 20 30 GHEDRO Cc1ccccc1CCN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593515049 860095824 /nfs/dbraw/zinc/09/58/24/860095824.db2.gz FZNDAEOVQZNWOV-UHFFFAOYSA-N 1 0 390.531 3.715 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000602526216 860097636 /nfs/dbraw/zinc/09/76/36/860097636.db2.gz FDKQHAIVAGURPQ-RBUKOAKNSA-N 1 0 398.551 3.692 20 30 GHEDRO CC1(C)[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1OCc1ccccc1 ZINC001170384440 881499578 /nfs/dbraw/zinc/49/95/78/881499578.db2.gz BKCGCBDFALNLSM-SFTDATJTSA-N 1 0 377.488 3.860 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508933244 860101253 /nfs/dbraw/zinc/10/12/53/860101253.db2.gz XPVAEZZCCHRYPB-GOSISDBHSA-N 1 0 390.535 3.687 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000602557351 860108410 /nfs/dbraw/zinc/10/84/10/860108410.db2.gz ZPTSKTASUOOHFH-PMACEKPBSA-N 1 0 385.552 3.575 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)CC[C@H]([NH3+])CC3CCCCC3)CCOCC2)cc1 ZINC000602557842 860110936 /nfs/dbraw/zinc/11/09/36/860110936.db2.gz JPDOIBQOVMGTBM-NRFANRHFSA-N 1 0 383.536 3.758 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC000598195738 860124107 /nfs/dbraw/zinc/12/41/07/860124107.db2.gz RGHKITNKYUOYNS-DHIUTWEWSA-N 1 0 375.516 3.534 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000602549899 860124792 /nfs/dbraw/zinc/12/47/92/860124792.db2.gz FLEQCRSRJYETIR-CVEARBPZSA-N 1 0 397.441 3.852 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3Cc4ccc(Cl)cc4C3)CC2)c1 ZINC000593516931 860133830 /nfs/dbraw/zinc/13/38/30/860133830.db2.gz QJCFCEHBMXCWNM-UHFFFAOYSA-N 1 0 394.906 3.901 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000602641552 860173655 /nfs/dbraw/zinc/17/36/55/860173655.db2.gz SSCPLGVDSUKEOL-DOTOQJQBSA-N 1 0 392.341 3.716 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000484633017 860206560 /nfs/dbraw/zinc/20/65/60/860206560.db2.gz CCYKIMNNKKDQSV-RBBKRZOGSA-N 1 0 398.528 3.620 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000484658839 860233996 /nfs/dbraw/zinc/23/39/96/860233996.db2.gz XLBZWEKXUBNSJB-UEVCKROQSA-N 1 0 380.488 3.586 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2ccncc2)CC1 ZINC000668369660 860263328 /nfs/dbraw/zinc/26/33/28/860263328.db2.gz ACZCPEVLWRPBIX-UHFFFAOYSA-N 1 0 388.515 3.855 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508957396 860264921 /nfs/dbraw/zinc/26/49/21/860264921.db2.gz ZIRHCYUGGMIANZ-UHFFFAOYSA-N 1 0 379.552 3.676 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000602821743 860312369 /nfs/dbraw/zinc/31/23/69/860312369.db2.gz XZTBSUHFPCNPES-MRXNPFEDSA-N 1 0 393.516 3.710 20 30 GHEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(Nc3ccccc3C#N)CC2)CC1 ZINC000602895434 860349042 /nfs/dbraw/zinc/34/90/42/860349042.db2.gz NNEHVROHFVZALD-UHFFFAOYSA-N 1 0 382.552 3.719 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CC[C@H]3Sc4ccccc4NC3=O)CC2)nc1 ZINC000602904927 860358367 /nfs/dbraw/zinc/35/83/67/860358367.db2.gz BQCSORJHUQVANC-HXUWFJFHSA-N 1 0 378.501 3.636 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000329434368 860359033 /nfs/dbraw/zinc/35/90/33/860359033.db2.gz LCNMYOCIONPHTB-LAUBAEHRSA-N 1 0 376.460 3.908 20 30 GHEDRO CCn1nc(C)c(CN(C)CC(=O)N(CCC#N)c2cccc(C)c2C)c1C ZINC000602924144 860371815 /nfs/dbraw/zinc/37/18/15/860371815.db2.gz CZUYDPWPPVMIOI-UHFFFAOYSA-N 1 0 381.524 3.515 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000138945713 860377722 /nfs/dbraw/zinc/37/77/22/860377722.db2.gz RQIWCKZQSXIBBN-UHFFFAOYSA-N 1 0 379.529 3.987 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000602959509 860381959 /nfs/dbraw/zinc/38/19/59/860381959.db2.gz PHYXNRVYWPTMSD-UHFFFAOYSA-N 1 0 385.512 3.636 20 30 GHEDRO N#CC1(c2ccccc2)CCC(N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001170374176 881533858 /nfs/dbraw/zinc/53/38/58/881533858.db2.gz VKADQRCDNJTGNJ-FDNODPCQSA-N 1 0 375.520 3.957 20 30 GHEDRO COc1ccc(CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)CCCO)cc1 ZINC000602966771 860398393 /nfs/dbraw/zinc/39/83/93/860398393.db2.gz QUEBBFCSXLPGJD-INIZCTEOSA-N 1 0 383.448 3.638 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000598590423 860435749 /nfs/dbraw/zinc/43/57/49/860435749.db2.gz YHFMNNVWFXCPBF-LJQANCHMSA-N 1 0 392.503 3.989 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000598595101 860437317 /nfs/dbraw/zinc/43/73/17/860437317.db2.gz AMXSLUHDVWSPAV-GOSISDBHSA-N 1 0 375.516 3.675 20 30 GHEDRO Cc1nc2c(cccc2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000603031561 860439207 /nfs/dbraw/zinc/43/92/07/860439207.db2.gz AQZCDFNTLZSVIC-UHFFFAOYSA-N 1 0 377.448 3.604 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000509003108 860497664 /nfs/dbraw/zinc/49/76/64/860497664.db2.gz UYNFDHUJAKUNHV-PKOBYXMFSA-N 1 0 383.565 3.570 20 30 GHEDRO C=CCOc1c(Cl)cc(CNc2cnn(C3CC[NH+](C)CC3)c2)cc1OC ZINC000631227641 860522547 /nfs/dbraw/zinc/52/25/47/860522547.db2.gz SGOCZNQZBJXIAD-UHFFFAOYSA-N 1 0 390.915 3.989 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000552465032 860536370 /nfs/dbraw/zinc/53/63/70/860536370.db2.gz XWBPPZCWTNEXSI-WIOPSUGQSA-N 1 0 384.479 3.946 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000509016325 860555845 /nfs/dbraw/zinc/55/58/45/860555845.db2.gz ZAWRYCAQGOUEBC-AZUAARDMSA-N 1 0 395.551 3.662 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(-c2ccccc2)n1 ZINC000603419808 860695581 /nfs/dbraw/zinc/69/55/81/860695581.db2.gz ALODACKGORIRLG-OAQYLSRUSA-N 1 0 399.498 3.638 20 30 GHEDRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001170404804 881570878 /nfs/dbraw/zinc/57/08/78/881570878.db2.gz SALOHFDBFOOTMP-PGLVWIQMSA-N 1 0 382.439 3.505 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000599027321 860734985 /nfs/dbraw/zinc/73/49/85/860734985.db2.gz LQCWKVOXKZXLLF-KRWDZBQOSA-N 1 0 386.503 3.673 20 30 GHEDRO CC(C)N(C)c1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cn1 ZINC000593692377 860854303 /nfs/dbraw/zinc/85/43/03/860854303.db2.gz DXUHTFLWCMMXOU-UHFFFAOYSA-N 1 0 377.536 3.552 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000730125105 860871535 /nfs/dbraw/zinc/87/15/35/860871535.db2.gz NKHCJTQHPMQQNV-HDICACEKSA-N 1 0 398.551 3.577 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000156624395 860884834 /nfs/dbraw/zinc/88/48/34/860884834.db2.gz OQTRNCWUMNBEDT-UHFFFAOYSA-N 1 0 391.515 3.664 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599202010 860942909 /nfs/dbraw/zinc/94/29/09/860942909.db2.gz KLUMLYPZOWGPFV-BHIFYINESA-N 1 0 393.918 3.688 20 30 GHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCC3CCCC3)CC2)c1C ZINC000329009794 860943948 /nfs/dbraw/zinc/94/39/48/860943948.db2.gz ZIWUHRFFDPGOBC-UHFFFAOYSA-N 1 0 388.556 3.707 20 30 GHEDRO C=CC[C@@H](C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)c1ccccc1 ZINC000856629757 881600204 /nfs/dbraw/zinc/60/02/04/881600204.db2.gz QTCMSTKATDFQBG-DHIUTWEWSA-N 1 0 393.531 3.873 20 30 GHEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000600107845 861003736 /nfs/dbraw/zinc/00/37/36/861003736.db2.gz QRVNLDVHFKEXGE-KNKQGSTJSA-N 1 0 379.529 3.726 20 30 GHEDRO C=C[C@H](CC(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)c1ccccc1 ZINC000856632289 881603290 /nfs/dbraw/zinc/60/32/90/881603290.db2.gz SGMXKCAXFMAWLV-AUSIDOKSSA-N 1 0 393.531 3.873 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)CCOCC1 ZINC000599305877 861022620 /nfs/dbraw/zinc/02/26/20/861022620.db2.gz AUYRDCNLYLNPHB-IBGZPJMESA-N 1 0 378.463 3.781 20 30 GHEDRO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000329111482 861030643 /nfs/dbraw/zinc/03/06/43/861030643.db2.gz KBTPDRPULWNARQ-UYAOXDASSA-N 1 0 383.536 3.646 20 30 GHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000599300410 861042131 /nfs/dbraw/zinc/04/21/31/861042131.db2.gz XYULBPOPYRKENV-HKBOAZHASA-N 1 0 392.584 3.898 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)nn1-c1ccccc1 ZINC000329136886 861055997 /nfs/dbraw/zinc/05/59/97/861055997.db2.gz HFJZMIGSADCJBY-UHFFFAOYSA-N 1 0 381.524 3.583 20 30 GHEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329148332 861067948 /nfs/dbraw/zinc/06/79/48/861067948.db2.gz PQODXTHTDYBPJQ-CRAIPNDOSA-N 1 0 375.538 3.727 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599330799 861069278 /nfs/dbraw/zinc/06/92/78/861069278.db2.gz OWMIMOFJYGWYIP-RXVVDRJESA-N 1 0 396.535 3.825 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)CCOCC1 ZINC000599356942 861099834 /nfs/dbraw/zinc/09/98/34/861099834.db2.gz PAJURIWYNRZBSC-SIKLNZKXSA-N 1 0 382.479 3.770 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CCOCC1 ZINC000599362961 861128896 /nfs/dbraw/zinc/12/88/96/861128896.db2.gz TYBBBAZBOUQMJL-TZIWHRDSSA-N 1 0 399.922 3.680 20 30 GHEDRO O=C(NCc1cccc2c1OCCCO2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329222086 861163747 /nfs/dbraw/zinc/16/37/47/861163747.db2.gz VUOYJMDXZOWECP-QGZVFWFLSA-N 1 0 376.522 3.522 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCCC1(C)C ZINC000665460258 861173852 /nfs/dbraw/zinc/17/38/52/861173852.db2.gz FKXWMDCYOBGOLD-FQEVSTJZSA-N 1 0 377.573 3.654 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(Br)cc1F ZINC000599416783 861186577 /nfs/dbraw/zinc/18/65/77/861186577.db2.gz NJVIAIIBTMGANH-SWLSCSKDSA-N 1 0 393.256 3.550 20 30 GHEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCc2ccccc2C1 ZINC000114488960 881621906 /nfs/dbraw/zinc/62/19/06/881621906.db2.gz KIVIYHPHPREHPQ-WOJBJXKFSA-N 1 0 382.467 3.713 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000444022364 863143530 /nfs/dbraw/zinc/14/35/30/863143530.db2.gz QICRGBSKBLKNHG-GHTZIAJQSA-N 1 0 398.551 3.837 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000733774460 863157723 /nfs/dbraw/zinc/15/77/23/863157723.db2.gz GMOSUUYWICBFJB-JOCHJYFZSA-N 1 0 391.515 3.896 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000439687088 863422716 /nfs/dbraw/zinc/42/27/16/863422716.db2.gz VMFFPGKZHBGORV-INIZCTEOSA-N 1 0 396.539 3.794 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC23CCOCC3)ccc1Cl ZINC000281933546 863494823 /nfs/dbraw/zinc/49/48/23/863494823.db2.gz DLMUHQUYGVRGCT-LJQANCHMSA-N 1 0 389.927 3.834 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000606468869 863650242 /nfs/dbraw/zinc/65/02/42/863650242.db2.gz IFZWLNIJJLYZBX-IFMALSPDSA-N 1 0 397.490 3.889 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000172607075 863800462 /nfs/dbraw/zinc/80/04/62/863800462.db2.gz HSFVSXLXLJNGIN-UHFFFAOYSA-N 1 0 385.471 3.678 20 30 GHEDRO C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000554187244 863842163 /nfs/dbraw/zinc/84/21/63/863842163.db2.gz HZDFZPLIKRLLQB-UGSOOPFHSA-N 1 0 388.418 3.973 20 30 GHEDRO C[N@@H+]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](c2ccccc2)C1 ZINC000444307711 863851457 /nfs/dbraw/zinc/85/14/57/863851457.db2.gz ARGKXSFADCORLO-IRLDBZIGSA-N 1 0 386.499 3.773 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCCCO1 ZINC000594044457 863891355 /nfs/dbraw/zinc/89/13/55/863891355.db2.gz REEMYWZDOWVBQB-VQTJNVASSA-N 1 0 386.540 3.968 20 30 GHEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCc2ccccc2C1 ZINC000734002056 863915120 /nfs/dbraw/zinc/91/51/20/863915120.db2.gz KIVIYHPHPREHPQ-VQTJNVASSA-N 1 0 382.467 3.713 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000101549033 864040359 /nfs/dbraw/zinc/04/03/59/864040359.db2.gz FNQMVLRJXBFOSN-UHFFFAOYSA-N 1 0 394.482 3.614 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000734171978 864049075 /nfs/dbraw/zinc/04/90/75/864049075.db2.gz KZAYLGJSFLOIFY-UHFFFAOYSA-N 1 0 391.515 3.684 20 30 GHEDRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000896947266 864122266 /nfs/dbraw/zinc/12/22/66/864122266.db2.gz ATRNPBUNJARIQG-MJGOQNOKSA-N 1 0 393.487 3.837 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cc(C(=O)OC)c3n2CCCC3)cc(OC)c1OC ZINC000856768908 881733278 /nfs/dbraw/zinc/73/32/78/881733278.db2.gz CRPPTEBFRNFNMN-UHFFFAOYSA-N 1 0 398.503 3.647 20 30 GHEDRO C=CCCS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000120713559 881739099 /nfs/dbraw/zinc/73/90/99/881739099.db2.gz ZOKCTEZZIXFCJD-WBVHZDCISA-N 1 0 390.471 3.584 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC000856780140 881740840 /nfs/dbraw/zinc/74/08/40/881740840.db2.gz JHZAPSHRVSIRSJ-YPMHNXCESA-N 1 0 399.800 3.716 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)c(C)c2c1 ZINC000184330461 864370631 /nfs/dbraw/zinc/37/06/31/864370631.db2.gz YJNBBJJIEMTWGH-HNNXBMFYSA-N 1 0 398.484 3.746 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000594073925 864453185 /nfs/dbraw/zinc/45/31/85/864453185.db2.gz ZGHUXCDYYFJGJZ-KDYLLFBJSA-N 1 0 382.439 3.951 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723540 864539269 /nfs/dbraw/zinc/53/92/69/864539269.db2.gz GCUYDTUIJWMPPO-GNZRSQJKSA-N 1 0 399.336 3.954 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000164414907 864612173 /nfs/dbraw/zinc/61/21/73/864612173.db2.gz WFPAQIFUQJARBU-AWEZNQCLSA-N 1 0 397.332 3.924 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000554628409 864648102 /nfs/dbraw/zinc/64/81/02/864648102.db2.gz YVKWLOCITBDZHA-FQEVSTJZSA-N 1 0 394.567 3.783 20 30 GHEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)Nc2cccc(C)c2C)[C@H](C)C1 ZINC000735224099 864671577 /nfs/dbraw/zinc/67/15/77/864671577.db2.gz LWNVUBRLBXESKT-MRXNPFEDSA-N 1 0 376.570 3.714 20 30 GHEDRO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3ccc(C#N)cc3F)c2)n1 ZINC000480463949 864679582 /nfs/dbraw/zinc/67/95/82/864679582.db2.gz CZKZPQHZGYRZAF-UHFFFAOYSA-N 1 0 381.432 3.897 20 30 GHEDRO C=CCc1ccc(OCC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000735214137 864684722 /nfs/dbraw/zinc/68/47/22/864684722.db2.gz DKHPUPXALRFVPQ-HXUWFJFHSA-N 1 0 381.472 3.620 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309878 864734367 /nfs/dbraw/zinc/73/43/67/864734367.db2.gz MMLMVAXNGMHUFR-JKSUJKDBSA-N 1 0 377.916 3.759 20 30 GHEDRO C=CCn1c(C)nn(CN(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1=S ZINC000173548656 864866121 /nfs/dbraw/zinc/86/61/21/864866121.db2.gz NQWNIBYRCLZUST-HXUWFJFHSA-N 1 0 385.581 3.710 20 30 GHEDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000455947668 864872566 /nfs/dbraw/zinc/87/25/66/864872566.db2.gz RWYNOBKMBZSTEJ-SFHVURJKSA-N 1 0 396.516 3.552 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(Cc3ccc(Cl)cc3C#N)CC2)C[C@H](C)O1 ZINC000480584963 864883572 /nfs/dbraw/zinc/88/35/72/864883572.db2.gz SSTQKPQWESFBIL-IRXDYDNUSA-N 1 0 375.944 3.923 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCC[NH+](C)C ZINC000184823025 864973224 /nfs/dbraw/zinc/97/32/24/864973224.db2.gz XPYQWVKZSSPXQS-UHFFFAOYSA-N 1 0 380.492 3.861 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184984359 865096965 /nfs/dbraw/zinc/09/69/65/865096965.db2.gz ITXLUHGQXRNWKU-TZIWHRDSSA-N 1 0 378.497 3.933 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480680983 865102865 /nfs/dbraw/zinc/10/28/65/865102865.db2.gz PCYIDZCJBNFWDV-YOEHRIQHSA-N 1 0 392.341 3.838 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000480684319 865113582 /nfs/dbraw/zinc/11/35/82/865113582.db2.gz UHHYVYCFQIQLDP-XLIONFOSSA-N 1 0 377.488 3.667 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCC1(F)F)C2 ZINC000594141720 865149662 /nfs/dbraw/zinc/14/96/62/865149662.db2.gz NANDDYUJHFROIO-FQEVSTJZSA-N 1 0 381.426 3.558 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](CO)C2CCCC2)c1C#N ZINC000554973512 865249648 /nfs/dbraw/zinc/24/96/48/865249648.db2.gz YTAPQFPTFFUJLN-HXUWFJFHSA-N 1 0 386.540 3.561 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000554989815 865284988 /nfs/dbraw/zinc/28/49/88/865284988.db2.gz XKCSFXWZMKVYQI-UHFFFAOYSA-N 1 0 379.529 3.817 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)ccc1C#N ZINC000555003259 865319567 /nfs/dbraw/zinc/31/95/67/865319567.db2.gz WGGLHGDLQYUGCG-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C)nc3ccc(Br)cc32)CC1 ZINC000171716774 865341973 /nfs/dbraw/zinc/34/19/73/865341973.db2.gz PKGVQBYZUJPXCH-UHFFFAOYSA-N 1 0 388.309 3.686 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2cccc(OCc3ccccc3C)c2)CC1 ZINC000171716318 865342066 /nfs/dbraw/zinc/34/20/66/865342066.db2.gz OVLHBIMGGWQOCH-UHFFFAOYSA-N 1 0 378.516 3.883 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192047298 865447336 /nfs/dbraw/zinc/44/73/36/865447336.db2.gz JVSAOVQCZCXRRJ-WBVHZDCISA-N 1 0 375.881 3.722 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccco1 ZINC000594226666 865472459 /nfs/dbraw/zinc/47/24/59/865472459.db2.gz NLMYMEPZHHUTFN-LJQANCHMSA-N 1 0 380.492 3.913 20 30 GHEDRO CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000480894890 865477366 /nfs/dbraw/zinc/47/73/66/865477366.db2.gz FNWMVJBQAXMOFG-HXUWFJFHSA-N 1 0 377.513 3.876 20 30 GHEDRO C[C@@](CO)([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000133035308 881876792 /nfs/dbraw/zinc/87/67/92/881876792.db2.gz RNSGTMYVQXBKHD-FQEVSTJZSA-N 1 0 377.916 3.508 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594238904 865518971 /nfs/dbraw/zinc/51/89/71/865518971.db2.gz KICRFTSXXWADSP-IBGZPJMESA-N 1 0 375.516 3.826 20 30 GHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000508478629 865534533 /nfs/dbraw/zinc/53/45/33/865534533.db2.gz SILCKAOEOORBIW-UHFFFAOYSA-N 1 0 391.519 3.706 20 30 GHEDRO CCc1nc(CN2CCC(C[NH2+]Cc3ccc(OC)c(C#N)c3)CC2)cs1 ZINC000174377929 865744660 /nfs/dbraw/zinc/74/46/60/865744660.db2.gz YZMJFDSEVZSZGH-UHFFFAOYSA-N 1 0 384.549 3.588 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000481075099 865761740 /nfs/dbraw/zinc/76/17/40/865761740.db2.gz NKOAPQHMPFJIHL-FQEVSTJZSA-N 1 0 397.519 3.524 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000555248178 865783588 /nfs/dbraw/zinc/78/35/88/865783588.db2.gz RFJCETWMASLLPD-UHFFFAOYSA-N 1 0 388.519 3.601 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000555266840 865801817 /nfs/dbraw/zinc/80/18/17/865801817.db2.gz HSMBTIOTKGDQOJ-UHFFFAOYSA-N 1 0 388.519 3.744 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000555255393 865810718 /nfs/dbraw/zinc/81/07/18/865810718.db2.gz JHDVUHJFUCNWMZ-RBUKOAKNSA-N 1 0 382.556 3.940 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000739989881 865820334 /nfs/dbraw/zinc/82/03/34/865820334.db2.gz MRZPFERUFKXOFK-JPYJTQIMSA-N 1 0 391.515 3.794 20 30 GHEDRO C=C(C)Cn1c(CC)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000555273456 865831545 /nfs/dbraw/zinc/83/15/45/865831545.db2.gz ZKLQGFHKGIEDMJ-UHFFFAOYSA-N 1 0 379.552 3.909 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2cnn(C)c2)c1 ZINC000555326689 865897977 /nfs/dbraw/zinc/89/79/77/865897977.db2.gz IOLSTFXZFFSTGH-UHFFFAOYSA-N 1 0 399.542 3.975 20 30 GHEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000609042592 865917239 /nfs/dbraw/zinc/91/72/39/865917239.db2.gz KRCWXXIJICGDBP-UHFFFAOYSA-N 1 0 383.521 3.600 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+]1CCCC[C@H]1C ZINC000609058189 865941288 /nfs/dbraw/zinc/94/12/88/865941288.db2.gz YNPSSTHHAHUDHW-SJORKVTESA-N 1 0 381.476 3.723 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000740748305 865993483 /nfs/dbraw/zinc/99/34/83/865993483.db2.gz CAPXAGCVUKYEQG-UHFFFAOYSA-N 1 0 393.443 3.605 20 30 GHEDRO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000600035103 866085562 /nfs/dbraw/zinc/08/55/62/866085562.db2.gz LLYNTSGYQUVGOD-QSHYMPABSA-N 1 0 387.527 3.885 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494575491 881941210 /nfs/dbraw/zinc/94/12/10/881941210.db2.gz CZGDXZREBCERLH-UHFFFAOYSA-N 1 0 378.442 3.690 20 30 GHEDRO C=C(C)[C@H](CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)OCC ZINC000534225741 866337191 /nfs/dbraw/zinc/33/71/91/866337191.db2.gz JOFRFQKCAUBPCZ-MOXGXCLJSA-N 1 0 382.907 3.959 20 30 GHEDRO [NH2+]=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC1CCCCC1 ZINC000303864475 866375851 /nfs/dbraw/zinc/37/58/51/866375851.db2.gz AZDRHYQAUVNLKP-AWEZNQCLSA-N 1 0 379.346 3.512 20 30 GHEDRO C=CCCOCC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000620185482 866481985 /nfs/dbraw/zinc/48/19/85/866481985.db2.gz SZXCLLRRXLMGCG-UHFFFAOYSA-N 1 0 388.508 3.791 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190612018 881994051 /nfs/dbraw/zinc/99/40/51/881994051.db2.gz PCZGBIOZBGUOIL-KSSFIOAISA-N 1 0 382.533 3.898 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CC(c2ccccc2)c2ccccc2)c1C#N ZINC000128215907 866667371 /nfs/dbraw/zinc/66/73/71/866667371.db2.gz MWWMUYFLXQPHCY-UHFFFAOYSA-N 1 0 387.487 3.594 20 30 GHEDRO C[NH+](C)Cc1cc(CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)ccc1F ZINC000553105772 866809320 /nfs/dbraw/zinc/80/93/20/866809320.db2.gz GDANVWVRYZQNLP-UHFFFAOYSA-N 1 0 388.368 3.758 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)cc1 ZINC000444668516 867039107 /nfs/dbraw/zinc/03/91/07/867039107.db2.gz VBCPLORNZFHHFZ-IBGZPJMESA-N 1 0 391.581 3.705 20 30 GHEDRO C[NH+](C)CCN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CCCC1 ZINC000153726259 867046643 /nfs/dbraw/zinc/04/66/43/867046643.db2.gz FRSCHBUYGJLNFF-UHFFFAOYSA-N 1 0 376.504 3.820 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C12CCCCC2 ZINC000429794547 867313328 /nfs/dbraw/zinc/31/33/28/867313328.db2.gz XIANMKQYZSJVFD-IAGOWNOFSA-N 1 0 375.538 3.893 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523470081 867353308 /nfs/dbraw/zinc/35/33/08/867353308.db2.gz RHIVFMVVUSNRCA-OFNKIYASSA-N 1 0 375.516 3.733 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000479214923 867367333 /nfs/dbraw/zinc/36/73/33/867367333.db2.gz KWHAJVNUBPQNBS-MRXNPFEDSA-N 1 0 383.442 3.743 20 30 GHEDRO N#CC1(NC(=O)c2ccc(-c3ccccc3)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000479239897 867394146 /nfs/dbraw/zinc/39/41/46/867394146.db2.gz GHCDBQIWDQMGHR-UHFFFAOYSA-N 1 0 384.483 3.970 20 30 GHEDRO N#CC1(NC(=O)Cc2coc3cc(F)ccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000479257108 867439640 /nfs/dbraw/zinc/43/96/40/867439640.db2.gz ZUBVUAYOTWXXFA-UHFFFAOYSA-N 1 0 391.446 3.789 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)Cc2cnccn2)cc1OC ZINC000742723733 867507166 /nfs/dbraw/zinc/50/71/66/867507166.db2.gz LBTPEYXBHBPZNO-CYBMUJFWSA-N 1 0 392.297 3.533 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(C#N)c(OC)c3)CCN2C2CC2)c1 ZINC000440610404 867507426 /nfs/dbraw/zinc/50/74/26/867507426.db2.gz DGKGYZINMHZHHT-FYYLOGMGSA-N 1 0 377.488 3.643 20 30 GHEDRO Cc1cc(Cl)ccc1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479306289 867512170 /nfs/dbraw/zinc/51/21/70/867512170.db2.gz KCBLULOXOXMEPQ-UHFFFAOYSA-N 1 0 397.906 3.702 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000440621824 867542326 /nfs/dbraw/zinc/54/23/26/867542326.db2.gz GGBKGUSMJNXQRN-GHTZIAJQSA-N 1 0 389.421 3.909 20 30 GHEDRO CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072216 867589689 /nfs/dbraw/zinc/58/96/89/867589689.db2.gz RFEVYSCDLSPJLW-UHFFFAOYSA-N 1 0 381.442 3.977 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000523589339 867589971 /nfs/dbraw/zinc/58/99/71/867589971.db2.gz XMVFARWVTHQBSD-QHCPKHFHSA-N 1 0 388.515 3.964 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000523669693 867720226 /nfs/dbraw/zinc/72/02/26/867720226.db2.gz ZWYOPOYMWUOKFR-UHFFFAOYSA-N 1 0 379.529 3.987 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000155239406 867820985 /nfs/dbraw/zinc/82/09/85/867820985.db2.gz QGFDFRVCOYKATR-ICSRJNTNSA-N 1 0 377.488 3.820 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000523721965 867821529 /nfs/dbraw/zinc/82/15/29/867821529.db2.gz ZHQBCBQDIDSDRG-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO C[N@H+](CCCCNC(=O)c1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000457199676 867836840 /nfs/dbraw/zinc/83/68/40/867836840.db2.gz LCYSVKQMLPUVHU-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000743203776 867924187 /nfs/dbraw/zinc/92/41/87/867924187.db2.gz SFOBQWQHMNFIRV-IBGZPJMESA-N 1 0 381.451 3.576 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000743203778 867924430 /nfs/dbraw/zinc/92/44/30/867924430.db2.gz SFOBQWQHMNFIRV-LJQANCHMSA-N 1 0 381.451 3.576 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000743203149 867925942 /nfs/dbraw/zinc/92/59/42/867925942.db2.gz XGKLCEDHTKYNRX-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)c1ccccc1C ZINC000743256301 868021786 /nfs/dbraw/zinc/02/17/86/868021786.db2.gz PKUOYBYZZYBPLC-LJQANCHMSA-N 1 0 386.565 3.627 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCSc4c(F)cccc43)C2=O)cc1 ZINC000190624444 882149747 /nfs/dbraw/zinc/14/97/47/882149747.db2.gz MZCVZNBBJUZEEJ-OALUTQOASA-N 1 0 381.476 3.625 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1=S ZINC000743377266 868172004 /nfs/dbraw/zinc/17/20/04/868172004.db2.gz PGZLPXXBIXZMTA-IBGZPJMESA-N 1 0 383.565 3.641 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609071643 868174196 /nfs/dbraw/zinc/17/41/96/868174196.db2.gz NLRMSHYIVBHRNU-KZNAEPCWSA-N 1 0 395.503 3.826 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2c(C)n(CCC)c3ccc(OC)cc32)CC1 ZINC000743489988 868236621 /nfs/dbraw/zinc/23/66/21/868236621.db2.gz XXPMRVROVBXEPT-UHFFFAOYSA-N 1 0 381.520 3.586 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)CC1 ZINC000743493367 868237927 /nfs/dbraw/zinc/23/79/27/868237927.db2.gz PZAVSQJBRFFVEO-UHFFFAOYSA-N 1 0 382.529 3.950 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000172123594 882171647 /nfs/dbraw/zinc/17/16/47/882171647.db2.gz DQACURQRFSXOOA-SFHVURJKSA-N 1 0 392.503 3.614 20 30 GHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000544401062 868288884 /nfs/dbraw/zinc/28/88/84/868288884.db2.gz WQALFLAZCFNWIV-RTBURBONSA-N 1 0 392.341 3.591 20 30 GHEDRO N#CCCC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000457488921 868347545 /nfs/dbraw/zinc/34/75/45/868347545.db2.gz KWMHBADQLNPTLM-VXKWHMMOSA-N 1 0 376.504 3.995 20 30 GHEDRO C#CCCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000743692534 868365341 /nfs/dbraw/zinc/36/53/41/868365341.db2.gz HBLCRVHHJYOIME-FUHWJXTLSA-N 1 0 381.442 3.801 20 30 GHEDRO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000111535065 868392582 /nfs/dbraw/zinc/39/25/82/868392582.db2.gz HXVZYXYBBICCOQ-JPYJTQIMSA-N 1 0 388.515 3.709 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CN(Cc2ccccc2)c2ccccc2)CC1 ZINC000535297169 868524210 /nfs/dbraw/zinc/52/42/10/868524210.db2.gz DVLXFQZQUMRPCP-UHFFFAOYSA-N 1 0 377.532 3.850 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc(OC)c1O ZINC000091949285 882221638 /nfs/dbraw/zinc/22/16/38/882221638.db2.gz QNAFGKSEZKDMFY-KRWDZBQOSA-N 1 0 386.536 3.600 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000669813801 868748196 /nfs/dbraw/zinc/74/81/96/868748196.db2.gz AYBCVOWTAOMNNW-FQEVSTJZSA-N 1 0 394.567 3.927 20 30 GHEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000744424398 868827499 /nfs/dbraw/zinc/82/74/99/868827499.db2.gz WFNRYSLGGJERJK-ZACQAIPSSA-N 1 0 380.517 3.830 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000122197269 868998416 /nfs/dbraw/zinc/99/84/16/868998416.db2.gz UFYUPYSSZVRFEP-GJZGRUSLSA-N 1 0 385.961 3.598 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000524432321 869073869 /nfs/dbraw/zinc/07/38/69/869073869.db2.gz HNOPETDSRNZAAA-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000539423153 869102478 /nfs/dbraw/zinc/10/24/78/869102478.db2.gz CIFFSOQQMZFZIC-XMCHAPAWSA-N 1 0 388.920 3.972 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000524549653 869242054 /nfs/dbraw/zinc/24/20/54/869242054.db2.gz JSNJNYIVGSCQLI-FQEVSTJZSA-N 1 0 377.488 3.597 20 30 GHEDRO O=C(OCC(F)(F)C(F)F)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000745024722 869242872 /nfs/dbraw/zinc/24/28/72/869242872.db2.gz YDCCYZKLWDCEHC-AWEZNQCLSA-N 1 0 387.295 3.885 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000539509983 869274240 /nfs/dbraw/zinc/27/42/40/869274240.db2.gz MDBIRCYJBYYSMA-UGSOOPFHSA-N 1 0 389.377 3.913 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508854382 869350942 /nfs/dbraw/zinc/35/09/42/869350942.db2.gz CKDYWUKALLGTPL-UHFFFAOYSA-N 1 0 395.551 3.670 20 30 GHEDRO COc1cc2c(cc1F)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000539741998 869701369 /nfs/dbraw/zinc/70/13/69/869701369.db2.gz XENCDVJSCIPFCF-UHFFFAOYSA-N 1 0 387.842 3.746 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)NCCC[NH+](C)C ZINC000745724226 869768316 /nfs/dbraw/zinc/76/83/16/869768316.db2.gz NCOAPYHSOQTTTJ-UHFFFAOYSA-N 1 0 384.524 3.839 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cc(Br)ccc2F)C(C)C)CC1 ZINC000745925320 869889480 /nfs/dbraw/zinc/88/94/80/869889480.db2.gz CBJIJLQPYSTPBP-UHFFFAOYSA-N 1 0 395.316 3.670 20 30 GHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)c1 ZINC000468059882 869948679 /nfs/dbraw/zinc/94/86/79/869948679.db2.gz NGBQLYHZWGAYOW-PXNSSMCTSA-N 1 0 390.483 3.542 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)ccc1OC ZINC000462739059 869994780 /nfs/dbraw/zinc/99/47/80/869994780.db2.gz NHCCULCPYIJKRE-PXNSSMCTSA-N 1 0 380.488 3.934 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)ccc1OC ZINC000462739058 869995116 /nfs/dbraw/zinc/99/51/16/869995116.db2.gz NHCCULCPYIJKRE-FXAWDEMLSA-N 1 0 380.488 3.934 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000462774662 870042729 /nfs/dbraw/zinc/04/27/29/870042729.db2.gz CHTUVHOAGPOFSR-UHFFFAOYSA-N 1 0 389.459 3.890 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000462786945 870077956 /nfs/dbraw/zinc/07/79/56/870077956.db2.gz FUZGPRDCFGJVKF-HOTGVXAUSA-N 1 0 381.480 3.607 20 30 GHEDRO CN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)Cc1cccc(C#N)c1 ZINC000525271269 870244015 /nfs/dbraw/zinc/24/40/15/870244015.db2.gz POXPEPHJZVMKHT-UHFFFAOYSA-N 1 0 379.479 3.757 20 30 GHEDRO COc1ccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1OCCCC#N ZINC000462874035 870268560 /nfs/dbraw/zinc/26/85/60/870268560.db2.gz AKZQZSMJUYMDFJ-NRFANRHFSA-N 1 0 395.503 3.556 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540042487 870287775 /nfs/dbraw/zinc/28/77/75/870287775.db2.gz NLAODEZFBKWFGC-GOSISDBHSA-N 1 0 394.494 3.811 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC001192334873 870296963 /nfs/dbraw/zinc/29/69/63/870296963.db2.gz KQLDPYOKVDJRKA-DVECYGJZSA-N 1 0 375.516 3.827 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(Cl)c(C#N)c3)cc2)C[C@@H](C)O1 ZINC000538685342 870337916 /nfs/dbraw/zinc/33/79/16/870337916.db2.gz WIXAQNAPJKGHNR-HZPDHXFCSA-N 1 0 397.906 3.751 20 30 GHEDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925186963 870360110 /nfs/dbraw/zinc/36/01/10/870360110.db2.gz JATOKPCEYSQFPV-RCCFBDPRSA-N 1 0 381.561 3.693 20 30 GHEDRO CSc1ccc(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000525339308 870439081 /nfs/dbraw/zinc/43/90/81/870439081.db2.gz QNEGRRGCBVLJDX-KRWDZBQOSA-N 1 0 397.544 3.638 20 30 GHEDRO C=CCOc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1OC ZINC000092645269 882410221 /nfs/dbraw/zinc/41/02/21/882410221.db2.gz NKARBTIWTYOUHX-UHFFFAOYSA-N 1 0 395.547 3.794 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)s1 ZINC000092673805 882410564 /nfs/dbraw/zinc/41/05/64/882410564.db2.gz DVZDGZUCTJCFFH-HNNXBMFYSA-N 1 0 383.517 3.742 20 30 GHEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC001192616891 870564377 /nfs/dbraw/zinc/56/43/77/870564377.db2.gz OIYHWPCYKSYGGA-IPHXSNPTSA-N 1 0 392.886 3.926 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)ccc1S(=O)(=O)C(F)F ZINC000766351594 870625123 /nfs/dbraw/zinc/62/51/23/870625123.db2.gz TUWSPNVAWIEGAX-OLZOCXBDSA-N 1 0 394.443 3.975 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000248876279 870673094 /nfs/dbraw/zinc/67/30/94/870673094.db2.gz CNSJLTVASSTPHV-FXAWDEMLSA-N 1 0 385.552 3.666 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC001192823350 870697767 /nfs/dbraw/zinc/69/77/67/870697767.db2.gz JDPCRJLUJZYHME-OAQYLSRUSA-N 1 0 375.472 3.837 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000463031577 870735984 /nfs/dbraw/zinc/73/59/84/870735984.db2.gz VYAWILTWXPTZOI-CQSZACIVSA-N 1 0 389.293 3.933 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000746448525 870745290 /nfs/dbraw/zinc/74/52/90/870745290.db2.gz DOIIGLDPDIJFHY-PZJWPPBQSA-N 1 0 398.551 3.516 20 30 GHEDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000249096126 870753111 /nfs/dbraw/zinc/75/31/11/870753111.db2.gz OSIRWSYHZRNJLW-DYESRHJHSA-N 1 0 389.565 3.892 20 30 GHEDRO N#Cc1ccncc1C(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001192971986 870824387 /nfs/dbraw/zinc/82/43/87/870824387.db2.gz ZUYMEDBMMJUVIK-QHCPKHFHSA-N 1 0 396.494 3.870 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460186333 870841275 /nfs/dbraw/zinc/84/12/75/870841275.db2.gz XCWVGMBQIZKPCU-UHFFFAOYSA-N 1 0 386.503 3.549 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001193104805 870886350 /nfs/dbraw/zinc/88/63/50/870886350.db2.gz TZHLPESUMMJGHU-HKUYNNGSSA-N 1 0 390.405 3.806 20 30 GHEDRO Cc1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)ccc1C#N ZINC000447080533 870958515 /nfs/dbraw/zinc/95/85/15/870958515.db2.gz WRAXLGOZCIACIM-SFHVURJKSA-N 1 0 384.277 3.524 20 30 GHEDRO CC(C)[N@H+](CCC(=O)N(C)CCC#N)Cc1cc(Br)ccc1F ZINC000538954716 870966390 /nfs/dbraw/zinc/96/63/90/870966390.db2.gz ZVMHDSMSGRIYDD-UHFFFAOYSA-N 1 0 384.293 3.561 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)cc1 ZINC000775582822 870976524 /nfs/dbraw/zinc/97/65/24/870976524.db2.gz WIDQPAKDFAFUSC-KRWDZBQOSA-N 1 0 387.911 3.900 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCc1nc(C)c(C)s1 ZINC000763494091 870978566 /nfs/dbraw/zinc/97/85/66/870978566.db2.gz PCSSGIPCOZCCIH-UHFFFAOYSA-N 1 0 379.323 3.867 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CCO)c2ccccc2)ccc1Cl ZINC000540333717 871003842 /nfs/dbraw/zinc/00/38/42/871003842.db2.gz WSASBNLWWMYWOF-FQEVSTJZSA-N 1 0 385.895 3.608 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000540325525 871023293 /nfs/dbraw/zinc/02/32/93/871023293.db2.gz LSBUWJXLMGCSEN-INIZCTEOSA-N 1 0 382.891 3.700 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000540328933 871030640 /nfs/dbraw/zinc/03/06/40/871030640.db2.gz WMDZZTFLCFWSMJ-KRWDZBQOSA-N 1 0 386.455 3.822 20 30 GHEDRO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000509635598 871046711 /nfs/dbraw/zinc/04/67/11/871046711.db2.gz BDSRXWFKBHNOLU-OAQYLSRUSA-N 1 0 397.544 3.624 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001168991765 871072930 /nfs/dbraw/zinc/07/29/30/871072930.db2.gz MFOBTFJSSITQDL-UHFFFAOYSA-N 1 0 379.773 3.856 20 30 GHEDRO COc1nc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)c(C#N)c(C)c1Cl ZINC001168996792 871082489 /nfs/dbraw/zinc/08/24/89/871082489.db2.gz ZFAVZNHNWMVQIA-UHFFFAOYSA-N 1 0 390.274 3.807 20 30 GHEDRO CCOC(=O)c1cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)ccc1C#N ZINC001169000429 871087958 /nfs/dbraw/zinc/08/79/58/871087958.db2.gz XOFWZFDASCFHEQ-UHFFFAOYSA-N 1 0 382.851 3.619 20 30 GHEDRO Cc1occc1C(=O)NC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093010078 882475988 /nfs/dbraw/zinc/47/59/88/882475988.db2.gz KMHHMAZDDTXUHV-UHFFFAOYSA-N 1 0 381.476 3.665 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000181587130 871227493 /nfs/dbraw/zinc/22/74/93/871227493.db2.gz UTNFYFWIIQSGBO-BEFAXECRSA-N 1 0 384.451 3.577 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1cccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169145880 871257817 /nfs/dbraw/zinc/25/78/17/871257817.db2.gz UVJSCJZDFWHFEO-DMPWYTOCSA-N 1 0 386.540 3.986 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1OC ZINC000525708269 871268789 /nfs/dbraw/zinc/26/87/89/871268789.db2.gz BTJWYQZYUCYPJU-NJDAHSKKSA-N 1 0 392.499 3.507 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000181623870 871291639 /nfs/dbraw/zinc/29/16/39/871291639.db2.gz NWFOCLSVEYYDSJ-XMMPIXPASA-N 1 0 376.548 3.724 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(Cl)nc2c(C#N)cccc21 ZINC001169175921 871299624 /nfs/dbraw/zinc/29/96/24/871299624.db2.gz SUKJTDKJAUUJEA-UHFFFAOYSA-N 1 0 391.862 3.917 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000181652977 871332294 /nfs/dbraw/zinc/33/22/94/871332294.db2.gz HPBOZQZKHRIOQJ-GOSISDBHSA-N 1 0 383.517 3.804 20 30 GHEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000181701439 871402183 /nfs/dbraw/zinc/40/21/83/871402183.db2.gz YXZUUIFGDFGJAK-FQEVSTJZSA-N 1 0 386.517 3.718 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(CO)c2)cc1 ZINC000041466146 871412398 /nfs/dbraw/zinc/41/23/98/871412398.db2.gz YTPMELMXZFCMKM-UHFFFAOYSA-O 1 0 391.516 3.503 20 30 GHEDRO COc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)cc1 ZINC000041466197 871413999 /nfs/dbraw/zinc/41/39/99/871413999.db2.gz JBPPYQRIEZNPJU-UHFFFAOYSA-O 1 0 393.488 3.526 20 30 GHEDRO CCCCCCCOC(=O)N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001193995510 871451943 /nfs/dbraw/zinc/45/19/43/871451943.db2.gz QUPREFQVOXJEPZ-UHFFFAOYSA-N 1 0 382.545 3.833 20 30 GHEDRO COc1ccc(CN2CC[NH+](C)CC2)cc1N[C@](C)(C#N)c1ccccc1Cl ZINC001169390740 871463298 /nfs/dbraw/zinc/46/32/98/871463298.db2.gz MIAVJRNYDXDFNF-JOCHJYFZSA-N 1 0 398.938 3.947 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)[C@@H]1OC ZINC001194093643 871500978 /nfs/dbraw/zinc/50/09/78/871500978.db2.gz VWDSKZKWAWFRSB-BKTGTZMESA-N 1 0 377.916 3.970 20 30 GHEDRO C=CCc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000022611142 871573297 /nfs/dbraw/zinc/57/32/97/871573297.db2.gz MEAOTGZPXLNQBS-UHFFFAOYSA-N 1 0 394.515 3.780 20 30 GHEDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000540595232 871656353 /nfs/dbraw/zinc/65/63/53/871656353.db2.gz QPWCNHIBIMZTTK-CQSZACIVSA-N 1 0 386.293 3.791 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000539319182 871679762 /nfs/dbraw/zinc/67/97/62/871679762.db2.gz QJUCPMYLHYLVLA-FQEVSTJZSA-N 1 0 380.492 3.918 20 30 GHEDRO COC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)c(F)c1 ZINC000539318979 871680186 /nfs/dbraw/zinc/68/01/86/871680186.db2.gz BHCSWCDMPFHKBI-OXJNMPFZSA-N 1 0 389.421 3.922 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539305923 871697892 /nfs/dbraw/zinc/69/78/92/871697892.db2.gz XGYIYFYXWKKRTG-QGZVFWFLSA-N 1 0 383.467 3.817 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-n2ccnn2)cc1 ZINC000539331574 871713313 /nfs/dbraw/zinc/71/33/13/871713313.db2.gz LKMICEXBHKFQDZ-HNNXBMFYSA-N 1 0 386.377 3.868 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H](C#N)C3)C2=O)ccc1Br ZINC000618578607 871730318 /nfs/dbraw/zinc/73/03/18/871730318.db2.gz LUAZXXZXSXDFCS-RKVPGOIHSA-N 1 0 390.325 3.925 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000539324062 871736554 /nfs/dbraw/zinc/73/65/54/871736554.db2.gz AILZIHRTMWQTRA-XUZZJYLKSA-N 1 0 391.515 3.822 20 30 GHEDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000447522410 871746868 /nfs/dbraw/zinc/74/68/68/871746868.db2.gz YOKSTZPDCWKMGC-PKTZIBPZSA-N 1 0 379.504 3.681 20 30 GHEDRO CC(C)[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000540626494 871755313 /nfs/dbraw/zinc/75/53/13/871755313.db2.gz JGIDKJNYJKSBMI-BATSVXPKSA-N 1 0 391.479 3.546 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCCN(C(=O)c4ccccc4)C3)C2)cc1 ZINC001169787927 871883944 /nfs/dbraw/zinc/88/39/44/871883944.db2.gz FUPPQZUAJNMOTR-FYYLOGMGSA-N 1 0 389.499 3.706 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccc(CC)cc1 ZINC000022686486 871908299 /nfs/dbraw/zinc/90/82/99/871908299.db2.gz OBKYZAZKKGIYEV-UHFFFAOYSA-O 1 0 392.342 3.847 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000921075411 882562144 /nfs/dbraw/zinc/56/21/44/882562144.db2.gz SXSIYSKSTOZUNC-CQSZACIVSA-N 1 0 380.330 3.626 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001169895141 871984287 /nfs/dbraw/zinc/98/42/87/871984287.db2.gz MYABFSUNDRWXFP-OAQYLSRUSA-N 1 0 397.469 3.717 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccsc1 ZINC000618797766 872003741 /nfs/dbraw/zinc/00/37/41/872003741.db2.gz UTMNZVRNCZXIOI-UXHICEINSA-N 1 0 382.533 3.989 20 30 GHEDRO C=CCCCNC(=O)c1cc(F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001194877715 872004075 /nfs/dbraw/zinc/00/40/75/872004075.db2.gz BHPVSUWQNUNDDN-UHFFFAOYSA-N 1 0 381.495 3.844 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618797764 872004883 /nfs/dbraw/zinc/00/48/83/872004883.db2.gz UMHVXOPSOTYXGG-QFIPXVFZSA-N 1 0 376.504 3.887 20 30 GHEDRO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCCCCCC1 ZINC000775620069 872016495 /nfs/dbraw/zinc/01/64/95/872016495.db2.gz WPKONSXWWOOJII-LJQANCHMSA-N 1 0 388.581 3.502 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000618845875 872029110 /nfs/dbraw/zinc/02/91/10/872029110.db2.gz IASKMYDXMFZJIA-QFIPXVFZSA-N 1 0 380.536 3.843 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000618848409 872069500 /nfs/dbraw/zinc/06/95/00/872069500.db2.gz JJJHXDDTFJWUGT-QFIPXVFZSA-N 1 0 380.536 3.843 20 30 GHEDRO COc1ccc(C)cc1C(=O)C(C(=S)NCC(F)(F)F)[n+]1ccc(C)cc1 ZINC000101534959 872071098 /nfs/dbraw/zinc/07/10/98/872071098.db2.gz OTDPIAHRGDOJJE-UHFFFAOYSA-O 1 0 397.442 3.690 20 30 GHEDRO COc1ccc(NC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2ccccc2)cc1 ZINC000022731198 872093495 /nfs/dbraw/zinc/09/34/95/872093495.db2.gz FYIUKKWBWWSEGQ-UHFFFAOYSA-O 1 0 394.520 3.989 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000618893670 872116534 /nfs/dbraw/zinc/11/65/34/872116534.db2.gz VGWWBFFZBWWOKP-SIKLNZKXSA-N 1 0 377.463 3.713 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc([S@@](C)=O)cc1 ZINC000526108349 872139229 /nfs/dbraw/zinc/13/92/29/872139229.db2.gz QZQDQSLTCJPNMH-WBUXBIFZSA-N 1 0 383.517 3.731 20 30 GHEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)c1 ZINC001195083846 872160997 /nfs/dbraw/zinc/16/09/97/872160997.db2.gz ICRUXMUFONVLMM-RRPUWOKSSA-N 1 0 389.499 3.940 20 30 GHEDRO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001195155760 872221291 /nfs/dbraw/zinc/22/12/91/872221291.db2.gz QLPJAMXIXXVDQH-OFNKIYASSA-N 1 0 386.495 3.944 20 30 GHEDRO C=CCn1c(C)nn(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1=S ZINC000022775568 872303606 /nfs/dbraw/zinc/30/36/06/872303606.db2.gz AAKLSOYVIGLNKW-UHFFFAOYSA-N 1 0 393.560 3.837 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)CCCO2 ZINC000794168598 882601851 /nfs/dbraw/zinc/60/18/51/882601851.db2.gz IZQDLRQVEYAJIP-NRFANRHFSA-N 1 0 376.504 3.988 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000619117684 872338237 /nfs/dbraw/zinc/33/82/37/872338237.db2.gz ZBBUPQVXOINOIO-FQEVSTJZSA-N 1 0 386.455 3.560 20 30 GHEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478044540 872411469 /nfs/dbraw/zinc/41/14/69/872411469.db2.gz DDIKWBGCYCWTBZ-NRFANRHFSA-N 1 0 388.508 3.670 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2ccc(C#N)cc2)C1 ZINC000857883498 882612571 /nfs/dbraw/zinc/61/25/71/882612571.db2.gz VVJPIEGQLXZYPT-SFHVURJKSA-N 1 0 398.304 3.844 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1OC ZINC000093842283 872447026 /nfs/dbraw/zinc/44/70/26/872447026.db2.gz IJLYEXVPTSDHRP-HXUWFJFHSA-N 1 0 375.509 3.810 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC001195526334 872469844 /nfs/dbraw/zinc/46/98/44/872469844.db2.gz IYPOJOGKVBFZOL-HXUWFJFHSA-N 1 0 395.478 3.647 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000552338757 872495587 /nfs/dbraw/zinc/49/55/87/872495587.db2.gz OXKLZGZOATWBMJ-UHFFFAOYSA-N 1 0 387.483 3.666 20 30 GHEDRO N#Cc1sc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nc1Cl ZINC000804358022 872644406 /nfs/dbraw/zinc/64/44/06/872644406.db2.gz ULQOWLASNZFQRN-UHFFFAOYSA-N 1 0 389.956 3.678 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000448047115 872771610 /nfs/dbraw/zinc/77/16/10/872771610.db2.gz CADRMGUEWYNICO-TZIWHRDSSA-N 1 0 380.488 3.608 20 30 GHEDRO Cn1nccc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000619622752 872803011 /nfs/dbraw/zinc/80/30/11/872803011.db2.gz AXNCGPJQDBFBIR-GOSISDBHSA-N 1 0 397.548 3.788 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(CC#N)CC1 ZINC000541034624 872804131 /nfs/dbraw/zinc/80/41/31/872804131.db2.gz FHGRIOVSMLSWLQ-NRFANRHFSA-N 1 0 382.552 3.795 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000619623728 872808055 /nfs/dbraw/zinc/80/80/55/872808055.db2.gz OERILUBQJZAJCS-JBCDFXQESA-N 1 0 389.927 3.802 20 30 GHEDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000541056229 872810890 /nfs/dbraw/zinc/81/08/90/872810890.db2.gz ZRSISAPFHVGXGJ-JXFKEZNVSA-N 1 0 397.544 3.905 20 30 GHEDRO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541073692 872854688 /nfs/dbraw/zinc/85/46/88/872854688.db2.gz CLLUQZYAIZIZJX-ROUUACIJSA-N 1 0 379.504 3.807 20 30 GHEDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000182883392 872913096 /nfs/dbraw/zinc/91/30/96/872913096.db2.gz YJZZZZWPLGPWLW-HNNXBMFYSA-N 1 0 391.450 3.871 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756641 872966301 /nfs/dbraw/zinc/96/63/01/872966301.db2.gz GGOZAFRVWKZOBD-HUUCEWRRSA-N 1 0 376.932 3.767 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756550 872966779 /nfs/dbraw/zinc/96/67/79/872966779.db2.gz FGUJSUHYOJGGKD-HOTGVXAUSA-N 1 0 376.932 3.769 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1Cl ZINC000619757832 872970621 /nfs/dbraw/zinc/97/06/21/872970621.db2.gz IWHNZCQPNQFTDY-IBGZPJMESA-N 1 0 382.895 3.675 20 30 GHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)CCO3)[n+]2ccccc2)c1 ZINC000102387439 872988252 /nfs/dbraw/zinc/98/82/52/872988252.db2.gz RAFTWXIOVBEPLQ-UHFFFAOYSA-O 1 0 399.495 3.941 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001196304718 872997702 /nfs/dbraw/zinc/99/77/02/872997702.db2.gz WLZZCCGEWPIXBM-UHFFFAOYSA-N 1 0 380.517 3.836 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001196312743 873006356 /nfs/dbraw/zinc/00/63/56/873006356.db2.gz FNKWHLHQSBDXMX-PMACEKPBSA-N 1 0 376.529 3.709 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CN1Cc1ccccc1 ZINC000527349486 873027036 /nfs/dbraw/zinc/02/70/36/873027036.db2.gz CVCQJOJPCURFIW-NNFZLKSESA-N 1 0 390.531 3.896 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000619811187 873039340 /nfs/dbraw/zinc/03/93/40/873039340.db2.gz ABOZZZQEPVLCHL-FQEVSTJZSA-N 1 0 392.551 3.785 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 ZINC000619810584 873065634 /nfs/dbraw/zinc/06/56/34/873065634.db2.gz REWMHDGGGMRLRV-HXUWFJFHSA-N 1 0 384.911 3.876 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cnn1-c1ccc(F)cc1 ZINC000182993467 873071180 /nfs/dbraw/zinc/07/11/80/873071180.db2.gz UCRLEMACWKXPSH-LSDHHAIUSA-N 1 0 391.450 3.869 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000448224960 873077091 /nfs/dbraw/zinc/07/70/91/873077091.db2.gz UEYMYSYAGUWRCJ-SFHVURJKSA-N 1 0 395.469 3.724 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000191969034 882687444 /nfs/dbraw/zinc/68/74/44/882687444.db2.gz XSCKQIBNRSQYGK-GOSISDBHSA-N 1 0 385.552 3.714 20 30 GHEDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000494623099 882693259 /nfs/dbraw/zinc/69/32/59/882693259.db2.gz CAQHSVLTNWHBKF-PKOBYXMFSA-N 1 0 385.533 3.632 20 30 GHEDRO C=C(Br)CNC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000761650182 882699531 /nfs/dbraw/zinc/69/95/31/882699531.db2.gz RMMMEKJNBGCYFF-WBVHZDCISA-N 1 0 380.330 3.762 20 30 GHEDRO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541255267 873248001 /nfs/dbraw/zinc/24/80/01/873248001.db2.gz JNKIAVHFEUHQTH-JXFKEZNVSA-N 1 0 379.529 3.996 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)n3cc(N)c(=[NH2+])c(-c4cccc(F)c4)c3)no2)c1 ZINC001196760274 873332247 /nfs/dbraw/zinc/33/22/47/873332247.db2.gz UPZDFFIEZGQNJR-UHFFFAOYSA-N 1 0 399.385 3.571 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)c(C#N)n2)[C@H]1c1cccs1 ZINC000443516138 873417474 /nfs/dbraw/zinc/41/74/74/873417474.db2.gz DOIPDESAERFLNG-PXAZEXFGSA-N 1 0 380.439 3.950 20 30 GHEDRO N#CC1(NC(=O)Cc2cccc(Cl)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000464284047 873533089 /nfs/dbraw/zinc/53/30/89/873533089.db2.gz IGBSCKIUQTZITR-UHFFFAOYSA-N 1 0 385.870 3.696 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)o1 ZINC000464329082 873622704 /nfs/dbraw/zinc/62/27/04/873622704.db2.gz NBYBUSJWHLECSF-LJQANCHMSA-N 1 0 393.487 3.725 20 30 GHEDRO C[N@H+](CCCNC(=O)c1cccc(C#N)c1Br)Cc1ccccc1 ZINC000448602567 873654273 /nfs/dbraw/zinc/65/42/73/873654273.db2.gz DHYBZBJNCCNFIZ-UHFFFAOYSA-N 1 0 386.293 3.573 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cn1 ZINC000527844507 873668082 /nfs/dbraw/zinc/66/80/82/873668082.db2.gz ZODSDQFQPBTKTM-QHCPKHFHSA-N 1 0 376.504 3.667 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4cc(F)c(Cl)cc43)C2=O)cc1 ZINC000527893664 873725204 /nfs/dbraw/zinc/72/52/04/873725204.db2.gz OGXJOIUNYBBKFW-PMACEKPBSA-N 1 0 383.854 3.729 20 30 GHEDRO N#Cc1ccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000768995108 873761491 /nfs/dbraw/zinc/76/14/91/873761491.db2.gz IDFJZQDBANVRCA-UHFFFAOYSA-N 1 0 378.476 3.745 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)[C@H]1OC ZINC001169998642 873792652 /nfs/dbraw/zinc/79/26/52/873792652.db2.gz DXLBJTPKFAFCIM-XHSVMWQWSA-N 1 0 389.565 3.865 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000448719837 873851242 /nfs/dbraw/zinc/85/12/42/873851242.db2.gz MPJZSOYGONLVLE-AQNXPRMDSA-N 1 0 382.529 3.555 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCO[C@H](c3ccc(F)cc3)C1)CCC2 ZINC000023186576 873876805 /nfs/dbraw/zinc/87/68/05/873876805.db2.gz NSRVBWMUJZSNLR-SFHVURJKSA-N 1 0 399.491 3.650 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001197582783 873924503 /nfs/dbraw/zinc/92/45/03/873924503.db2.gz YBEXVDJRDJGMMR-LJQANCHMSA-N 1 0 389.609 3.992 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)[C@@H]1OC ZINC001170005407 873944009 /nfs/dbraw/zinc/94/40/09/873944009.db2.gz WLJVNLDFWALPAV-BKTGTZMESA-N 1 0 389.565 3.866 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C#N)c1Br)c1ccco1 ZINC000448809096 873972603 /nfs/dbraw/zinc/97/26/03/873972603.db2.gz FDYDEYNIDSCTPJ-HNNXBMFYSA-N 1 0 390.281 3.727 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000541629707 873995015 /nfs/dbraw/zinc/99/50/15/873995015.db2.gz KEONVIDIWDLHDU-LJQANCHMSA-N 1 0 383.495 3.985 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC001203242780 874017791 /nfs/dbraw/zinc/01/77/91/874017791.db2.gz KVUUFWZBFJBXLP-HNNXBMFYSA-N 1 0 385.183 3.561 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000769421482 874038442 /nfs/dbraw/zinc/03/84/42/874038442.db2.gz YNNOJIJMZRLYCR-CRAIPNDOSA-N 1 0 392.421 3.937 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700906 874140063 /nfs/dbraw/zinc/14/00/63/874140063.db2.gz GUXOIIDLQSZFLK-PZJWPPBQSA-N 1 0 384.451 3.937 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000448953642 874251140 /nfs/dbraw/zinc/25/11/40/874251140.db2.gz TZRHDODVPNFMCX-JOCHJYFZSA-N 1 0 393.531 3.702 20 30 GHEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001198407319 874395438 /nfs/dbraw/zinc/39/54/38/874395438.db2.gz UECLYYVPGSMTDU-HSZRJFAPSA-N 1 0 383.580 3.885 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000528356993 874458216 /nfs/dbraw/zinc/45/82/16/874458216.db2.gz IAZCTWNNOMFHHI-HXUWFJFHSA-N 1 0 398.890 3.546 20 30 GHEDRO CCOc1ccc(CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC001198524030 874460619 /nfs/dbraw/zinc/46/06/19/874460619.db2.gz BPNDDNSGLBNMQB-LJQANCHMSA-N 1 0 379.504 3.895 20 30 GHEDRO Cc1nc(NCCSCc2csc(CN(C)C)n2)c(C#N)c(C)c1C ZINC001168107651 874591592 /nfs/dbraw/zinc/59/15/92/874591592.db2.gz TZILFZWUOQWTEL-UHFFFAOYSA-N 1 0 375.567 3.742 20 30 GHEDRO O[C@H](C[NH2+]Cc1cccc(F)c1OC(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC001203244209 874631365 /nfs/dbraw/zinc/63/13/65/874631365.db2.gz VVXAHQZUVRXUSK-CYBMUJFWSA-N 1 0 383.263 3.965 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@](C)(C#N)CCc2ccccc2)[C@H](C(F)(F)F)C1 ZINC000550935718 882848957 /nfs/dbraw/zinc/84/89/57/882848957.db2.gz LRBYBUYCJRXVGI-HLIPFELVSA-N 1 0 395.469 3.926 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000528522541 874665124 /nfs/dbraw/zinc/66/51/24/874665124.db2.gz AJNLOWGUSJQAPI-SFHVURJKSA-N 1 0 397.544 3.513 20 30 GHEDRO C#CC[C@H](CCOC)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000858129831 882866436 /nfs/dbraw/zinc/86/64/36/882866436.db2.gz RABMDWZGNGLDSI-JOCHJYFZSA-N 1 0 393.531 3.643 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](CO)[C@H]2CC)cc1OC ZINC000449430325 874850727 /nfs/dbraw/zinc/85/07/27/874850727.db2.gz VYJYAPNBEZSIAJ-GDBMZVCRSA-N 1 0 384.314 3.615 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000770804778 874878003 /nfs/dbraw/zinc/87/80/03/874878003.db2.gz FDWYKMRKUORQFL-QGZVFWFLSA-N 1 0 382.508 3.590 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)CC#Cc2ccccc2)c1 ZINC001271999405 874904639 /nfs/dbraw/zinc/90/46/39/874904639.db2.gz OZEDDTOMJZJOLY-UHFFFAOYSA-N 1 0 378.472 3.566 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CCCC2)cc1 ZINC000858151978 882889033 /nfs/dbraw/zinc/88/90/33/882889033.db2.gz XTAZBVSKDRSXGY-FQEVSTJZSA-N 1 0 377.488 3.916 20 30 GHEDRO CCn1c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)nc2c1cccc2F ZINC000528777528 875049312 /nfs/dbraw/zinc/04/93/12/875049312.db2.gz AOJYAXACFCSQFY-UHFFFAOYSA-N 1 0 378.451 3.862 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CCCC2)cc1 ZINC000858151979 882889751 /nfs/dbraw/zinc/88/97/51/882889751.db2.gz XTAZBVSKDRSXGY-HXUWFJFHSA-N 1 0 377.488 3.916 20 30 GHEDRO CSc1ccc(/C=C/C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000858154214 882892189 /nfs/dbraw/zinc/89/21/89/882892189.db2.gz AMQFHNNWJHGWNM-SOFGYWHQSA-N 1 0 383.542 3.699 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC000775992889 875084766 /nfs/dbraw/zinc/08/47/66/875084766.db2.gz LMLRYHHZOWTAGH-OAHLLOKOSA-N 1 0 392.343 3.770 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c(OC)c1 ZINC000192349217 882896007 /nfs/dbraw/zinc/89/60/07/882896007.db2.gz FTNGGEMFNVISBY-YLJYHZDGSA-N 1 0 383.488 3.536 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)cn1 ZINC000528851770 875154477 /nfs/dbraw/zinc/15/44/77/875154477.db2.gz YHLLOTNESHZFLV-CWTRNNRKSA-N 1 0 384.867 3.683 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1n1cccn1 ZINC000449655248 875189634 /nfs/dbraw/zinc/18/96/34/875189634.db2.gz GXLJQOXLQPXBJM-YPAWHYETSA-N 1 0 393.535 3.510 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCC[C@H]2CCOC2)cc1OC ZINC000449678907 875228903 /nfs/dbraw/zinc/22/89/03/875228903.db2.gz CLEHBLNRJUSWHX-AWEZNQCLSA-N 1 0 384.314 3.929 20 30 GHEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1ccc(C#N)s1 ZINC000449680447 875232607 /nfs/dbraw/zinc/23/26/07/875232607.db2.gz GWDQUOMRWPRHAC-CYBMUJFWSA-N 1 0 379.323 3.632 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449735296 875319078 /nfs/dbraw/zinc/31/90/78/875319078.db2.gz HBFCBHCBAIJNRG-OAHLLOKOSA-N 1 0 379.435 3.642 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000776087306 875320634 /nfs/dbraw/zinc/32/06/34/875320634.db2.gz KWPARROQDUXILT-UHFFFAOYSA-N 1 0 377.488 3.747 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000776087052 875321285 /nfs/dbraw/zinc/32/12/85/875321285.db2.gz BYZSKNYSEYIFBN-ICSRJNTNSA-N 1 0 377.488 3.731 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000776093530 875330229 /nfs/dbraw/zinc/33/02/29/875330229.db2.gz SRHSOXDVMMDGAQ-LJQANCHMSA-N 1 0 377.488 3.827 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776093741 875330478 /nfs/dbraw/zinc/33/04/78/875330478.db2.gz XSYUFSBRBUKJCK-QUCCMNQESA-N 1 0 377.488 3.731 20 30 GHEDRO COc1ccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)cc1OCCCC#N ZINC000449758921 875331539 /nfs/dbraw/zinc/33/15/39/875331539.db2.gz HYUBQUBUFMITIE-UHFFFAOYSA-N 1 0 399.457 3.836 20 30 GHEDRO Cc1ccc2occ(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000528980043 875373468 /nfs/dbraw/zinc/37/34/68/875373468.db2.gz OJCRNPAYRILKEV-UHFFFAOYSA-N 1 0 387.483 3.958 20 30 GHEDRO Cc1cc(NC(=S)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1F ZINC001201046555 875488300 /nfs/dbraw/zinc/48/83/00/875488300.db2.gz JERYESLWXMFVJY-UHFFFAOYSA-N 1 0 382.508 3.979 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001201314647 875625797 /nfs/dbraw/zinc/62/57/97/875625797.db2.gz NZFJMALSQWDVBR-MJGOQNOKSA-N 1 0 395.478 3.727 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)ccc1OC ZINC000491472268 875731749 /nfs/dbraw/zinc/73/17/49/875731749.db2.gz SMFCMUCCNIEOMS-UHFFFAOYSA-N 1 0 378.472 3.792 20 30 GHEDRO CCCCCCCCCCC[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001201630900 875774186 /nfs/dbraw/zinc/77/41/86/875774186.db2.gz HBYUBHVNOKDKTE-IFMALSPDSA-N 1 0 382.589 3.903 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000858241133 882968619 /nfs/dbraw/zinc/96/86/19/882968619.db2.gz XKYRHDGHBURWAB-QGZVFWFLSA-N 1 0 382.533 3.818 20 30 GHEDRO COCc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC000529209607 875832026 /nfs/dbraw/zinc/83/20/26/875832026.db2.gz IFLKIPDPPPZRLY-VGSWGCGISA-N 1 0 392.503 3.879 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1C#N ZINC000529209575 875832534 /nfs/dbraw/zinc/83/25/34/875832534.db2.gz ABUKWDNLOOVYNR-SFHVURJKSA-N 1 0 384.524 3.680 20 30 GHEDRO COCc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C#N ZINC000529215501 875844870 /nfs/dbraw/zinc/84/48/70/875844870.db2.gz DCZUOVIMRLKVTJ-UHFFFAOYSA-N 1 0 378.476 3.622 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921492779 883011687 /nfs/dbraw/zinc/01/16/87/883011687.db2.gz ZVSGNAMCPVQELJ-CQSZACIVSA-N 1 0 377.535 3.501 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000450335196 876303766 /nfs/dbraw/zinc/30/37/66/876303766.db2.gz WTLGKHAQICBKBC-HUUCEWRRSA-N 1 0 377.330 3.807 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000609334772 883030490 /nfs/dbraw/zinc/03/04/90/883030490.db2.gz GTWKYWVFUNJCNQ-UHFFFAOYSA-N 1 0 382.895 3.670 20 30 GHEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000858334156 883033597 /nfs/dbraw/zinc/03/35/97/883033597.db2.gz SMTOMRGUHUEQCY-LBPRGKRZSA-N 1 0 392.240 3.577 20 30 GHEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000858335610 883034244 /nfs/dbraw/zinc/03/42/44/883034244.db2.gz ZZFPNGYMRHKOCL-YPMHNXCESA-N 1 0 376.806 3.704 20 30 GHEDRO N#CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000760177653 883061686 /nfs/dbraw/zinc/06/16/86/883061686.db2.gz KTEVACHZQPEPPG-IBGZPJMESA-N 1 0 383.879 3.506 20 30 GHEDRO COc1ccc(-c2cc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)on2)cc1 ZINC000850367617 876856490 /nfs/dbraw/zinc/85/64/90/876856490.db2.gz ATPADVINELUXBZ-UHFFFAOYSA-N 1 0 376.460 3.990 20 30 GHEDRO C[C@H](NC(=O)c1ccc(Br)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450754093 876872670 /nfs/dbraw/zinc/87/26/70/876872670.db2.gz HMRSFPZPIXHRKO-UONOGXRCSA-N 1 0 390.325 3.704 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)cc1 ZINC000850416346 876896451 /nfs/dbraw/zinc/89/64/51/876896451.db2.gz ICVMAKXQNZPCPC-JPYJTQIMSA-N 1 0 380.488 3.963 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)cc1F ZINC000850472662 876950738 /nfs/dbraw/zinc/95/07/38/876950738.db2.gz LNCHGRXEKRZFRR-SFHVURJKSA-N 1 0 391.368 3.823 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786856644 876985585 /nfs/dbraw/zinc/98/55/85/876985585.db2.gz UJQOTSIUAGPBRN-UZLBHIALSA-N 1 0 378.476 3.748 20 30 GHEDRO C[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000174433075 877023459 /nfs/dbraw/zinc/02/34/59/877023459.db2.gz CLANVIAPLNVZSN-NRFANRHFSA-N 1 0 390.531 3.530 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000850576929 877047643 /nfs/dbraw/zinc/04/76/43/877047643.db2.gz SXUCXRKJRLBZRN-MTNREXPMSA-N 1 0 377.488 3.981 20 30 GHEDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000610002134 877276303 /nfs/dbraw/zinc/27/63/03/877276303.db2.gz FMMDSKSZMWQAMP-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000174907490 877326283 /nfs/dbraw/zinc/32/62/83/877326283.db2.gz JFANOEGQVFTBMF-QHCPKHFHSA-N 1 0 391.515 3.695 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCOC2)O1 ZINC000530281184 877440185 /nfs/dbraw/zinc/44/01/85/877440185.db2.gz BHKBBZKVRDLIID-LADGPHEKSA-N 1 0 392.499 3.907 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)CCc1ccc(Br)cc1 ZINC000610133097 877447993 /nfs/dbraw/zinc/44/79/93/877447993.db2.gz NDBTULYKFIXZOX-UHFFFAOYSA-N 1 0 389.293 3.883 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000610133974 877449454 /nfs/dbraw/zinc/44/94/54/877449454.db2.gz CAFHTXBXQJPORO-GOSISDBHSA-N 1 0 397.544 3.720 20 30 GHEDRO N#CCCN(C(=O)C[NH+]1CCC2(CCC(O)CC2)CC1)c1cccc(Cl)c1 ZINC000451146606 877454789 /nfs/dbraw/zinc/45/47/89/877454789.db2.gz NWDRFQNVQJSGCW-UHFFFAOYSA-N 1 0 389.927 3.604 20 30 GHEDRO Cc1sc(C(C)(C)[NH2+]CCC(=O)N(C)CCC#N)nc1-c1ccccc1F ZINC000451165435 877498207 /nfs/dbraw/zinc/49/82/07/877498207.db2.gz LCMNQPYUUNYSHF-UHFFFAOYSA-N 1 0 388.512 3.845 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1snnc1C ZINC000901425333 877519835 /nfs/dbraw/zinc/51/98/35/877519835.db2.gz PXJVAKXUOINKBU-AWEZNQCLSA-N 1 0 378.571 3.506 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nc(Cl)c(C#N)s3)cc2)C[C@H](C)O1 ZINC000787891406 877692244 /nfs/dbraw/zinc/69/22/44/877692244.db2.gz CYANZULBKQPICI-BETUJISGSA-N 1 0 376.913 3.889 20 30 GHEDRO C=C(C)CS(=O)(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000477502891 877745777 /nfs/dbraw/zinc/74/57/77/877745777.db2.gz HZSXNRGZIIWDJB-MRXNPFEDSA-N 1 0 378.460 3.584 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)nc1 ZINC000492914302 877766000 /nfs/dbraw/zinc/76/60/00/877766000.db2.gz YAXFNXZBSZWLDV-NRFANRHFSA-N 1 0 394.519 3.645 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCC2CC[NH+](CC)CC2)cc1 ZINC000175575882 877778082 /nfs/dbraw/zinc/77/80/82/877778082.db2.gz NRWRBUVTMVSKCM-UHFFFAOYSA-N 1 0 398.551 3.744 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC000451303845 877780601 /nfs/dbraw/zinc/78/06/01/877780601.db2.gz HLVXXVOBTZLLBV-SFHVURJKSA-N 1 0 391.393 3.619 20 30 GHEDRO C#CCOc1ccc(C[NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000152366429 877879693 /nfs/dbraw/zinc/87/96/93/877879693.db2.gz OAUDPVOAXCVTQH-HXUWFJFHSA-N 1 0 378.516 3.688 20 30 GHEDRO Cc1nc(SCC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(C#N)c(C)c1C ZINC000068127020 877944666 /nfs/dbraw/zinc/94/46/66/877944666.db2.gz SRYLHSDEVXTIOV-OAHLLOKOSA-N 1 0 388.581 3.741 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451420019 877947869 /nfs/dbraw/zinc/94/78/69/877947869.db2.gz OJXAHKIRTYAEGM-UVUJQTEASA-N 1 0 383.536 3.564 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000788260326 877965664 /nfs/dbraw/zinc/96/56/64/877965664.db2.gz YZRRVFYROYHPAA-UZLBHIALSA-N 1 0 380.492 3.567 20 30 GHEDRO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000477656787 877999976 /nfs/dbraw/zinc/99/99/76/877999976.db2.gz CIOKETGYBCOWPW-UHFFFAOYSA-N 1 0 381.863 3.996 20 30 GHEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000451500348 878052239 /nfs/dbraw/zinc/05/22/39/878052239.db2.gz OTRWYAMXMNLVLG-ZWKOTPCHSA-N 1 0 383.517 3.922 20 30 GHEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000852101602 878076308 /nfs/dbraw/zinc/07/63/08/878076308.db2.gz SFLSJAFEVMFBQC-WAIKUNEKSA-N 1 0 393.487 3.666 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)s2)cs1 ZINC000551961299 878090251 /nfs/dbraw/zinc/09/02/51/878090251.db2.gz ZWORKVRGYUWPTO-MRXNPFEDSA-N 1 0 399.541 3.776 20 30 GHEDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1(C)C ZINC000451557636 878144478 /nfs/dbraw/zinc/14/44/78/878144478.db2.gz BXWVVFVPKWOGKV-KSSFIOAISA-N 1 0 389.565 3.820 20 30 GHEDRO CS(=O)(=O)C[C@@H]1CCCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451649086 878263699 /nfs/dbraw/zinc/26/36/99/878263699.db2.gz HQGFFQRPKFMZPV-QFIPXVFZSA-N 1 0 396.556 3.785 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H](Nc3cccc(CC[NH+]4CCCC4)c3)C2=O)cc1 ZINC000180005126 878323582 /nfs/dbraw/zinc/32/35/82/878323582.db2.gz OZSFNQHYMBOWIS-QHCPKHFHSA-N 1 0 388.515 3.804 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc(CC#N)c1 ZINC000455909873 878325586 /nfs/dbraw/zinc/32/55/86/878325586.db2.gz BZXMFBNHDQDOIA-UHFFFAOYSA-N 1 0 393.491 3.547 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176631961 878332847 /nfs/dbraw/zinc/33/28/47/878332847.db2.gz RRKMPAIQPYNFJL-NRFANRHFSA-N 1 0 393.531 3.915 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(CC#N)c1 ZINC000455909666 878351005 /nfs/dbraw/zinc/35/10/05/878351005.db2.gz BPPFZFZVFPUOBL-NRFANRHFSA-N 1 0 377.492 3.666 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(F)c1 ZINC000852474174 878356848 /nfs/dbraw/zinc/35/68/48/878356848.db2.gz UDYXHDQTEKPLCI-FUHWJXTLSA-N 1 0 397.416 3.853 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451715858 878386852 /nfs/dbraw/zinc/38/68/52/878386852.db2.gz QZHKPQIBZGHNJZ-HXUWFJFHSA-N 1 0 377.488 3.689 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2)CC1 ZINC000110656554 878391737 /nfs/dbraw/zinc/39/17/37/878391737.db2.gz XQLDKKYYGKVDRF-QHCPKHFHSA-N 1 0 391.515 3.721 20 30 GHEDRO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000537852152 878430050 /nfs/dbraw/zinc/43/00/50/878430050.db2.gz VXBFJRFRPONOTO-CYFREDJKSA-N 1 0 375.516 3.827 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000530735322 878431954 /nfs/dbraw/zinc/43/19/54/878431954.db2.gz BUCASZIDEOTDEA-QSNWEANLSA-N 1 0 377.488 3.865 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001183197413 912347722 /nfs/dbraw/zinc/34/77/22/912347722.db2.gz UMEIWUSXWBZAPM-LJQANCHMSA-N 1 0 384.524 3.516 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451792112 878508535 /nfs/dbraw/zinc/50/85/35/878508535.db2.gz SIPVPZWKIBQTIF-JKSUJKDBSA-N 1 0 377.554 3.748 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000460798009 878581423 /nfs/dbraw/zinc/58/14/23/878581423.db2.gz VFTKSVPPPDVUGY-SFHVURJKSA-N 1 0 399.539 3.535 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000852760060 878582312 /nfs/dbraw/zinc/58/23/12/878582312.db2.gz VLBBFJXISVHJEN-AJSBUHFISA-N 1 0 381.520 3.523 20 30 GHEDRO N#CCC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000245974631 878815970 /nfs/dbraw/zinc/81/59/70/878815970.db2.gz WSLLLRMUGHDMSV-JTHBVZDNSA-N 1 0 390.531 3.895 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789315407 878847406 /nfs/dbraw/zinc/84/74/06/878847406.db2.gz KHUPXRNQEHMSIM-INIZCTEOSA-N 1 0 379.932 3.639 20 30 GHEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000538142688 878887438 /nfs/dbraw/zinc/88/74/38/878887438.db2.gz CKAUJTLOBJYXSE-NRFANRHFSA-N 1 0 388.433 3.720 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000177914079 878915606 /nfs/dbraw/zinc/91/56/06/878915606.db2.gz UCDQBKJVTYULKF-QGZVFWFLSA-N 1 0 376.566 3.704 20 30 GHEDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000452106191 878990114 /nfs/dbraw/zinc/99/01/14/878990114.db2.gz QKMYRBMJHUCDSH-HZPDHXFCSA-N 1 0 389.565 3.822 20 30 GHEDRO S=C1N=NC(Cc2ccccc2)N1N=CC1CC[NH+](Cc2ccccc2)CC1 ZINC000853438152 879017698 /nfs/dbraw/zinc/01/76/98/879017698.db2.gz PSJZZQLRWFIHQP-UHFFFAOYSA-N 1 0 391.544 3.904 20 30 GHEDRO COc1cc2cc[nH+]c(N3CCO[C@@H](c4cccc(C#N)c4)C3)c2cc1OC ZINC000853460242 879035741 /nfs/dbraw/zinc/03/57/41/879035741.db2.gz HNQXJJRQBBCXJS-OAQYLSRUSA-N 1 0 375.428 3.702 20 30 GHEDRO C[N@@H+]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C2(CCCCC2)C1 ZINC000178406024 879109736 /nfs/dbraw/zinc/10/97/36/879109736.db2.gz NEYZPISNYBAUQI-UHFFFAOYSA-N 1 0 388.943 3.537 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000538267167 879114091 /nfs/dbraw/zinc/11/40/91/879114091.db2.gz CNRNXGBJFQMJGW-XDBZFTIUSA-N 1 0 397.544 3.638 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1C ZINC000538275407 879167931 /nfs/dbraw/zinc/16/79/31/879167931.db2.gz DLIQAUZPOMAQPN-OAQYLSRUSA-N 1 0 381.524 3.661 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccc(C#N)cc1 ZINC000789698937 879180748 /nfs/dbraw/zinc/18/07/48/879180748.db2.gz UXYWLSOEHKEXRS-IQMFZBJNSA-N 1 0 388.471 3.634 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000178853391 879256167 /nfs/dbraw/zinc/25/61/67/879256167.db2.gz YAWTZAMTCOVHBF-OAQYLSRUSA-N 1 0 385.479 3.589 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000031233804 879344514 /nfs/dbraw/zinc/34/45/14/879344514.db2.gz GAEPVJBHUDCBLQ-UHFFFAOYSA-N 1 0 393.531 3.502 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000493366427 879385848 /nfs/dbraw/zinc/38/58/48/879385848.db2.gz CWDMCXVKLDRFMN-OXJNMPFZSA-N 1 0 377.513 3.876 20 30 GHEDRO CCn1c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc2ccccc21 ZINC000068991227 879387260 /nfs/dbraw/zinc/38/72/60/879387260.db2.gz JLETTWVUFMGSOE-QGZVFWFLSA-N 1 0 377.467 3.826 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000461228789 879389734 /nfs/dbraw/zinc/38/97/34/879389734.db2.gz DDZMKBBRXROIBC-UHFFFAOYSA-N 1 0 378.476 3.597 20 30 GHEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000538389187 879401599 /nfs/dbraw/zinc/40/15/99/879401599.db2.gz CBKWFXBGTAEWNI-UTKZUKDTSA-N 1 0 386.467 3.520 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Oc1ccc(Br)cc1 ZINC000538416660 879426419 /nfs/dbraw/zinc/42/64/19/879426419.db2.gz DPXPLHGJJVYDDN-ZDUSSCGKSA-N 1 0 385.265 3.526 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H](c2noc(-c3ccccc3OCC#N)n2)O1 ZINC000854109537 879547940 /nfs/dbraw/zinc/54/79/40/879547940.db2.gz ZKHASAMFJIXGKU-UZLBHIALSA-N 1 0 390.443 3.601 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000790358961 879626275 /nfs/dbraw/zinc/62/62/75/879626275.db2.gz ICOJIMOZNJQCOH-UHFFFAOYSA-N 1 0 376.378 3.636 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000914340756 879659846 /nfs/dbraw/zinc/65/98/46/879659846.db2.gz CDQMUPRXMDYODF-MRXNPFEDSA-N 1 0 382.533 3.576 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000122842575 879853862 /nfs/dbraw/zinc/85/38/62/879853862.db2.gz VHMJZGYIIJTNNY-UHFFFAOYSA-N 1 0 389.478 3.591 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1 ZINC000152897118 879899711 /nfs/dbraw/zinc/89/97/11/879899711.db2.gz KKRLIUSQOAPABD-UHFFFAOYSA-N 1 0 380.513 3.808 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2c(C#N)nnc3ccccc32)CCOCC1)c1ccccc1 ZINC000610130967 880027825 /nfs/dbraw/zinc/02/78/25/880027825.db2.gz PPHUFEIYDQVQHE-QGZVFWFLSA-N 1 0 387.487 3.813 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cccc(CC#N)c3F)nc3ccc(C)cc3n12 ZINC001170148881 880217793 /nfs/dbraw/zinc/21/77/93/880217793.db2.gz ISESCYNVLNRDBQ-UHFFFAOYSA-N 1 0 388.450 3.801 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1=S ZINC000795705947 912558958 /nfs/dbraw/zinc/55/89/58/912558958.db2.gz JNXDZTOODSIKTB-HOTGVXAUSA-N 1 0 389.594 3.845 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000184703954 880366252 /nfs/dbraw/zinc/36/62/52/880366252.db2.gz OKWIOQZKYSAZAQ-UHFFFAOYSA-N 1 0 394.515 3.697 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NC(C)(C)c2cccc(C#N)c2)cc1 ZINC000855362511 880480022 /nfs/dbraw/zinc/48/00/22/880480022.db2.gz NDLAWPRTVOKYGZ-RAXLEYEMSA-N 1 0 377.488 3.563 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000286111769 912574220 /nfs/dbraw/zinc/57/42/20/912574220.db2.gz UKGLCFXQQUKJQA-TZRRMPRUSA-N 1 0 398.510 3.963 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000218887836 880526431 /nfs/dbraw/zinc/52/64/31/880526431.db2.gz HKTVSBPFQLCFNS-KBPBESRZSA-N 1 0 383.330 3.921 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1Br)CC2 ZINC001275196957 912581744 /nfs/dbraw/zinc/58/17/44/912581744.db2.gz HNHRIPYLXCYQGT-UHFFFAOYSA-N 1 0 377.326 3.840 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000453440780 880900930 /nfs/dbraw/zinc/90/09/30/880900930.db2.gz NDSMNGDZKKVVFS-PMACEKPBSA-N 1 0 387.572 3.654 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453458584 880955983 /nfs/dbraw/zinc/95/59/83/880955983.db2.gz KBIRBFGUYZSIEM-DYXWJJEUSA-N 1 0 395.551 3.805 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792196677 880981173 /nfs/dbraw/zinc/98/11/73/880981173.db2.gz TWVYAEFUBOOCPW-CYBMUJFWSA-N 1 0 395.322 3.796 20 30 GHEDRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000792230009 880991401 /nfs/dbraw/zinc/99/14/01/880991401.db2.gz AFXRIZCUTJMSLW-YADHBBJMSA-N 1 0 376.504 3.853 20 30 GHEDRO C=CCn1c(N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453448824 881001924 /nfs/dbraw/zinc/00/19/24/881001924.db2.gz ZFPOOUFFUWRVBY-OFNKIYASSA-N 1 0 395.551 3.591 20 30 GHEDRO COc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ccc1C#N ZINC000856169306 881004390 /nfs/dbraw/zinc/00/43/90/881004390.db2.gz KTBPZXUMCYOAHW-NRFANRHFSA-N 1 0 389.499 3.599 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000114023120 881056148 /nfs/dbraw/zinc/05/61/48/881056148.db2.gz KNJQXNQFYXXORF-HLNWXESRSA-N 1 0 386.540 3.533 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000286222759 912637332 /nfs/dbraw/zinc/63/73/32/912637332.db2.gz SLWDVZDDGJWFRD-KRWDZBQOSA-N 1 0 390.487 3.834 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)c(Cl)c3)C2)C1=O ZINC001275213188 912647177 /nfs/dbraw/zinc/64/71/77/912647177.db2.gz QNPFGHKLJFEVIP-KRWDZBQOSA-N 1 0 388.817 3.849 20 30 GHEDRO CC[C@@H]1C[C@H](NC(=[NH2+])c2nn(Cc3ccc(OC)cc3)c3ccccc32)CCO1 ZINC001170191395 881201609 /nfs/dbraw/zinc/20/16/09/881201609.db2.gz JAKDILFJAYHYDK-QZTJIDSGSA-N 1 0 392.503 3.756 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000089266520 881217291 /nfs/dbraw/zinc/21/72/91/881217291.db2.gz AOCJDUKZKATDRV-RTBURBONSA-N 1 0 377.916 3.510 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](OC(F)F)C2)sc2c1CCCCC2 ZINC000556972720 881272484 /nfs/dbraw/zinc/27/24/84/881272484.db2.gz ZIBFEHZYJXOIBI-LBPRGKRZSA-N 1 0 383.464 3.531 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000155142921 881275199 /nfs/dbraw/zinc/27/51/99/881275199.db2.gz ZEWXYYUDJXFMDY-QGZVFWFLSA-N 1 0 380.463 3.793 20 30 GHEDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000182089528 883182531 /nfs/dbraw/zinc/18/25/31/883182531.db2.gz KBWGWUNPDZUOLK-LJQANCHMSA-N 1 0 388.519 3.652 20 30 GHEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](n2cncn2)C1 ZINC000551086841 883264156 /nfs/dbraw/zinc/26/41/56/883264156.db2.gz YDBAVUKNILKDDO-MRLOZUGPSA-N 1 0 379.508 3.859 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cn1 ZINC000609503212 883270295 /nfs/dbraw/zinc/27/02/95/883270295.db2.gz FFXAFIYFWLBJSY-UHFFFAOYSA-N 1 0 389.459 3.555 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000609520458 883293562 /nfs/dbraw/zinc/29/35/62/883293562.db2.gz MPOCLBOUSVUTGO-ZVDOUQERSA-N 1 0 383.536 3.971 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761673197 883316472 /nfs/dbraw/zinc/31/64/72/883316472.db2.gz CUSBUVRSCLUPJF-MAUKXSAKSA-N 1 0 382.439 3.685 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000173388458 883368489 /nfs/dbraw/zinc/36/84/89/883368489.db2.gz ZJCZOUJMPAUDFW-HXUWFJFHSA-N 1 0 395.528 3.613 20 30 GHEDRO CC(C)[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)N1CCCC1 ZINC000609616155 883459688 /nfs/dbraw/zinc/45/96/88/883459688.db2.gz AIYQMUAGCAGOHF-QHCPKHFHSA-N 1 0 391.515 3.874 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c2)c1 ZINC000609662512 883502181 /nfs/dbraw/zinc/50/21/81/883502181.db2.gz RVNFRJJFCUWDKG-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000804977083 883525852 /nfs/dbraw/zinc/52/58/52/883525852.db2.gz LSMBYCBTHSTLSI-PTUXOGIPSA-N 1 0 375.516 3.756 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666154139 883586819 /nfs/dbraw/zinc/58/68/19/883586819.db2.gz AFEDFRSACWJJTD-UHFFFAOYSA-N 1 0 396.510 3.831 20 30 GHEDRO CC(C)(C)c1csc(C2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)n1 ZINC000859109596 883594761 /nfs/dbraw/zinc/59/47/61/883594761.db2.gz QCCIWPZWWIHHOJ-GOSISDBHSA-N 1 0 399.560 3.932 20 30 GHEDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000551310318 883667421 /nfs/dbraw/zinc/66/74/21/883667421.db2.gz AREMVQABDGHBNP-ZDUSSCGKSA-N 1 0 380.872 3.865 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(Cn3cccn3)c2)cc1OCCCC#N ZINC000064614224 883753550 /nfs/dbraw/zinc/75/35/50/883753550.db2.gz BSXQWOYYVXEISG-UHFFFAOYSA-N 1 0 390.487 3.912 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000609878430 883766910 /nfs/dbraw/zinc/76/69/10/883766910.db2.gz VVALOWIVABSJKF-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000129945824 883997035 /nfs/dbraw/zinc/99/70/35/883997035.db2.gz YHRJBEDDOLVCGJ-UHFFFAOYSA-N 1 0 380.488 3.708 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612101902 884006099 /nfs/dbraw/zinc/00/60/99/884006099.db2.gz WMGSBTPNYVZIIC-RJGXRXQPSA-N 1 0 388.515 3.658 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612101862 884006466 /nfs/dbraw/zinc/00/64/66/884006466.db2.gz UKHRFPGPGLTUOJ-NSISKUIASA-N 1 0 377.448 3.574 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000193056721 884030816 /nfs/dbraw/zinc/03/08/16/884030816.db2.gz JJERAMVICQHEQN-UHFFFAOYSA-N 1 0 384.524 3.644 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC001183771100 912780599 /nfs/dbraw/zinc/78/05/99/912780599.db2.gz HULASUUXSNRWJS-UHFFFAOYSA-N 1 0 382.467 3.973 20 30 GHEDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000897602146 884052513 /nfs/dbraw/zinc/05/25/13/884052513.db2.gz HDEMGLOCXYOCMK-UHFFFAOYSA-N 1 0 385.895 3.980 20 30 GHEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000760409564 884069697 /nfs/dbraw/zinc/06/96/97/884069697.db2.gz SVNMQBSUIIXSPN-HXUWFJFHSA-N 1 0 382.508 3.571 20 30 GHEDRO C[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000610351977 884088990 /nfs/dbraw/zinc/08/89/90/884088990.db2.gz YGQFEPORNDVUSS-GOSISDBHSA-N 1 0 392.503 3.593 20 30 GHEDRO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000476159300 884165814 /nfs/dbraw/zinc/16/58/14/884165814.db2.gz MUIIHVIDSFRWGU-JPYJTQIMSA-N 1 0 390.531 3.955 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000465454984 884184215 /nfs/dbraw/zinc/18/42/15/884184215.db2.gz OMHMRRWHMSXHBH-YPAWHYETSA-N 1 0 376.504 3.771 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1OC(F)F ZINC000026453631 884201111 /nfs/dbraw/zinc/20/11/11/884201111.db2.gz NQFLSKAAMZOSTI-UHFFFAOYSA-N 1 0 389.402 3.629 20 30 GHEDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)cc1 ZINC000191805807 884211608 /nfs/dbraw/zinc/21/16/08/884211608.db2.gz XMMXQACDLVTVBO-JOCHJYFZSA-N 1 0 377.488 3.568 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)cc1 ZINC000805927123 884226915 /nfs/dbraw/zinc/22/69/15/884226915.db2.gz AAHNLUYLNYCXPM-OAQYLSRUSA-N 1 0 392.503 3.621 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000476220391 884273782 /nfs/dbraw/zinc/27/37/82/884273782.db2.gz QJAFRGGEMFGPCH-UHFFFAOYSA-N 1 0 383.602 3.624 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H](C)c2ccns2)c1C#N ZINC000860052365 884294150 /nfs/dbraw/zinc/29/41/50/884294150.db2.gz YFOFIUFDSFFGGF-AWEZNQCLSA-N 1 0 397.504 3.754 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000914608067 884321724 /nfs/dbraw/zinc/32/17/24/884321724.db2.gz WQTKVGICLPZHLX-UHFFFAOYSA-N 1 0 379.504 3.829 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+](C)C)cc1 ZINC000498409416 884339380 /nfs/dbraw/zinc/33/93/80/884339380.db2.gz OBOHCMKQPCHVFM-NRFANRHFSA-N 1 0 398.482 3.587 20 30 GHEDRO C=CCCCCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000806168181 884390801 /nfs/dbraw/zinc/39/08/01/884390801.db2.gz WQHDNNSDDWXXAM-CYBMUJFWSA-N 1 0 389.359 3.884 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccc1Cl ZINC000556295764 884392633 /nfs/dbraw/zinc/39/26/33/884392633.db2.gz HHEBZHTYWNRERQ-AHRSYUTCSA-N 1 0 389.927 3.688 20 30 GHEDRO C[C@H]1C[N@H+](CC(C)(C)CCC#N)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000897704154 884416379 /nfs/dbraw/zinc/41/63/79/884416379.db2.gz XUQDFQNIOLBISE-KRWDZBQOSA-N 1 0 379.545 3.807 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCn3nc(C(=O)OC)cc32)cc1Cl ZINC000897985412 884546153 /nfs/dbraw/zinc/54/61/53/884546153.db2.gz MQUJUTMEIHUQDA-OAHLLOKOSA-N 1 0 375.856 3.513 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000286652929 912843409 /nfs/dbraw/zinc/84/34/09/912843409.db2.gz IOCPASISUQAUDT-AUSIDOKSSA-N 1 0 390.531 3.541 20 30 GHEDRO COc1ccc(Cl)cc1CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000532407834 884649435 /nfs/dbraw/zinc/64/94/35/884649435.db2.gz TYGFVZAGFYEJAE-UHFFFAOYSA-N 1 0 385.895 3.747 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126681714 884661726 /nfs/dbraw/zinc/66/17/26/884661726.db2.gz PLTBGIUXVBCNSU-SIKLNZKXSA-N 1 0 375.516 3.887 20 30 GHEDRO N#CC1(CCCOC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCOCC1 ZINC000860425454 884667772 /nfs/dbraw/zinc/66/77/72/884667772.db2.gz IFNAVVYQWSHTJH-NRFANRHFSA-N 1 0 396.531 3.932 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000860461450 884696596 /nfs/dbraw/zinc/69/65/96/884696596.db2.gz KJNWIEVZFOELLA-QFIPXVFZSA-N 1 0 392.503 3.963 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1OC ZINC000154867641 884709004 /nfs/dbraw/zinc/70/90/04/884709004.db2.gz UULPOSRYIWBJNH-UHFFFAOYSA-N 1 0 376.497 3.749 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191307976 884872174 /nfs/dbraw/zinc/87/21/74/884872174.db2.gz FJCLPAUWDQYEIC-GFCCVEGCSA-N 1 0 381.427 3.702 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(C)(C)C[NH+](C)C ZINC000610659553 884946955 /nfs/dbraw/zinc/94/69/55/884946955.db2.gz XBKUXGZOWCFPTB-HNNXBMFYSA-N 1 0 381.480 3.843 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000106245243 885004279 /nfs/dbraw/zinc/00/42/79/885004279.db2.gz MDGCXXRUNVLHPA-UHFFFAOYSA-N 1 0 385.464 3.994 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CCOc2ccccc2C)c1 ZINC000016423023 885006538 /nfs/dbraw/zinc/00/65/38/885006538.db2.gz IVYVZVKFSHDQEH-UHFFFAOYSA-N 1 0 379.504 3.869 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000106259159 885019172 /nfs/dbraw/zinc/01/91/72/885019172.db2.gz NWERWOKQSHGPMV-AWEZNQCLSA-N 1 0 385.430 3.986 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000106275024 885025637 /nfs/dbraw/zinc/02/56/37/885025637.db2.gz DGIAORQQGOUMRW-IBGZPJMESA-N 1 0 395.906 3.603 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 ZINC001183930584 912890690 /nfs/dbraw/zinc/89/06/90/912890690.db2.gz TVVIRAXNDIBTRS-HXUWFJFHSA-N 1 0 392.503 3.985 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000213351601 885106571 /nfs/dbraw/zinc/10/65/71/885106571.db2.gz BAAVPMJQGJSNAP-CNRGFGOASA-N 1 0 386.517 3.754 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000103859877 885182072 /nfs/dbraw/zinc/18/20/72/885182072.db2.gz YXLOQOBGZPJEDF-LJQANCHMSA-N 1 0 398.551 3.766 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC000805274550 885190155 /nfs/dbraw/zinc/19/01/55/885190155.db2.gz AEYRVQWHUQJRQQ-QFIPXVFZSA-N 1 0 380.488 3.519 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)N(Cc3ccccc3)CC(F)(F)F)CC2)c1 ZINC000556512748 885206313 /nfs/dbraw/zinc/20/63/13/885206313.db2.gz QBPDDCHDLVZAGR-UHFFFAOYSA-N 1 0 387.405 3.728 20 30 GHEDRO N#CCc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000045941982 885410896 /nfs/dbraw/zinc/41/08/96/885410896.db2.gz PXPVHVYRHYMYJR-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000807492775 885489879 /nfs/dbraw/zinc/48/98/79/885489879.db2.gz SZSKEGGPLQRKOJ-IERDGZPVSA-N 1 0 390.487 3.980 20 30 GHEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000807535732 885510742 /nfs/dbraw/zinc/51/07/42/885510742.db2.gz DJKBIRFYFKDITP-HXUWFJFHSA-N 1 0 383.536 3.554 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000747405080 885542610 /nfs/dbraw/zinc/54/26/10/885542610.db2.gz UDWKBXMAZOQVMN-QFIPXVFZSA-N 1 0 398.453 3.689 20 30 GHEDRO COc1ccc([C@H](CNc2c(C#N)cnc3ccc(C)cc32)[NH+](C)C)cc1OC ZINC000487899146 885581638 /nfs/dbraw/zinc/58/16/38/885581638.db2.gz UXUBCHUSDBXXMW-FQEVSTJZSA-N 1 0 390.487 3.569 20 30 GHEDRO C=CCCCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000807591844 885583690 /nfs/dbraw/zinc/58/36/90/885583690.db2.gz ISEXEOVLTPISDY-NHCUHLMSSA-N 1 0 378.605 3.571 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807739818 885673279 /nfs/dbraw/zinc/67/32/79/885673279.db2.gz PJYGXXCXLNCEDU-JXFKEZNVSA-N 1 0 388.471 3.643 20 30 GHEDRO N#CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001275281903 912963010 /nfs/dbraw/zinc/96/30/10/912963010.db2.gz JKYJOYLMPNQFQV-IBGZPJMESA-N 1 0 394.302 3.638 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000861692450 885769023 /nfs/dbraw/zinc/76/90/23/885769023.db2.gz CRIHLXBQOXNVFF-UHFFFAOYSA-N 1 0 379.504 3.944 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000498887647 886032678 /nfs/dbraw/zinc/03/26/78/886032678.db2.gz CSUHACZZUQUNMI-GCJKJVERSA-N 1 0 388.515 3.900 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1=S ZINC000808191430 886086681 /nfs/dbraw/zinc/08/66/81/886086681.db2.gz MGRAUDSSASTQIE-CVEARBPZSA-N 1 0 389.594 3.845 20 30 GHEDRO O=C(C[N@@H+]1CCCc2ccccc2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000498914618 886107525 /nfs/dbraw/zinc/10/75/25/886107525.db2.gz JDSFRXVWVMOWRI-UHFFFAOYSA-N 1 0 386.417 3.622 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000429728646 886243241 /nfs/dbraw/zinc/24/32/41/886243241.db2.gz FVYBZSMKWOCLRI-UHFFFAOYSA-N 1 0 381.451 3.707 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(Br)ccn3)CC2)C1=O ZINC001275289914 913024030 /nfs/dbraw/zinc/02/40/30/913024030.db2.gz YCZHZDVLZFGQRI-IBGZPJMESA-N 1 0 392.341 3.625 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000808426723 886314802 /nfs/dbraw/zinc/31/48/02/886314802.db2.gz VSQAPDVTZSGXSE-IBGZPJMESA-N 1 0 377.410 3.878 20 30 GHEDRO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)s1 ZINC000862474686 886398943 /nfs/dbraw/zinc/39/89/43/886398943.db2.gz YODZQDRMSWCJBT-UHFFFAOYSA-N 1 0 398.532 3.659 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000287034309 913045578 /nfs/dbraw/zinc/04/55/78/913045578.db2.gz OJCJWJIGFLGHBH-NRFANRHFSA-N 1 0 396.491 3.801 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000556898870 886566249 /nfs/dbraw/zinc/56/62/49/886566249.db2.gz TYMOZUCCUYUCJH-QWQRMKEZSA-N 1 0 397.548 3.993 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000644146962 913070207 /nfs/dbraw/zinc/07/02/07/913070207.db2.gz IAEKGVPRXNAMHD-UHFFFAOYSA-N 1 0 395.469 3.930 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)C[C@H](C)O1 ZINC000556923783 886748395 /nfs/dbraw/zinc/74/83/95/886748395.db2.gz PAIWDVKXIKGTQT-IYBDPMFKSA-N 1 0 389.927 3.563 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000808843514 886865178 /nfs/dbraw/zinc/86/51/78/886865178.db2.gz PTALMRXGVRSXFV-LMMKCTJWSA-N 1 0 378.476 3.762 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(CC)(N3CCOCC3)CC2)c1O ZINC000863327250 887034309 /nfs/dbraw/zinc/03/43/09/887034309.db2.gz AJUXFEMYDCWLJE-UHFFFAOYSA-N 1 0 388.552 3.596 20 30 GHEDRO CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CC1)Sc1ccc(Br)cc1 ZINC000863552900 887208176 /nfs/dbraw/zinc/20/81/76/887208176.db2.gz QCJYFCOYXDVDSV-CQSZACIVSA-N 1 0 383.355 3.964 20 30 GHEDRO CCc1ccc([C@H](C#N)NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000809258696 887237227 /nfs/dbraw/zinc/23/72/27/887237227.db2.gz DNOIYYVOVCYPBK-UNJYKCMZSA-N 1 0 377.488 3.584 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn(-c2ccccc2F)c1C)C(C)C ZINC000495966141 887311760 /nfs/dbraw/zinc/31/17/60/887311760.db2.gz OSZVMISIRMBVTN-OAQYLSRUSA-N 1 0 384.499 3.748 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000542578616 887440532 /nfs/dbraw/zinc/44/05/32/887440532.db2.gz PNAOHDXTLZDLJZ-HUUCEWRRSA-N 1 0 375.538 3.622 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCOc3ccccc3C(F)(F)F)C2)nc1 ZINC000428822612 887659251 /nfs/dbraw/zinc/65/92/51/887659251.db2.gz WHJARLHOKXMURK-OAHLLOKOSA-N 1 0 377.366 3.504 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H](O)c1ccccc1 ZINC000794607389 887659563 /nfs/dbraw/zinc/65/95/63/887659563.db2.gz USKHOQCGCLYXGI-MTNREXPMSA-N 1 0 397.494 3.809 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000809735602 887716694 /nfs/dbraw/zinc/71/66/94/887716694.db2.gz LVCQUTGGUFBVEF-XMMPIXPASA-N 1 0 391.563 3.918 20 30 GHEDRO C#Cc1ccc(C[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cc1 ZINC000809764138 887807010 /nfs/dbraw/zinc/80/70/10/887807010.db2.gz GJKMDRDHJZRIDO-UHFFFAOYSA-N 1 0 377.532 3.785 20 30 GHEDRO C[C@H]1C[C@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120230846 887996268 /nfs/dbraw/zinc/99/62/68/887996268.db2.gz BMJDDQHZTUBWRP-AVRDEDQJSA-N 1 0 390.531 3.594 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508885017 888057124 /nfs/dbraw/zinc/05/71/24/888057124.db2.gz LPKLHKNNZIYCKM-FQEVSTJZSA-N 1 0 391.519 3.991 20 30 GHEDRO Cc1cnc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1C#N ZINC001170594923 888085332 /nfs/dbraw/zinc/08/53/32/888085332.db2.gz GRTCNBSTTBEYDA-HSZRJFAPSA-N 1 0 386.499 3.737 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(N2CCCCC2=O)cc1 ZINC000810128204 888194897 /nfs/dbraw/zinc/19/48/97/888194897.db2.gz KDIKLEKTDLOTNR-OAHLLOKOSA-N 1 0 396.516 3.816 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000810130000 888196143 /nfs/dbraw/zinc/19/61/43/888196143.db2.gz XNRGMSXKYKUCFU-IRXDYDNUSA-N 1 0 390.487 3.753 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001132086296 888215881 /nfs/dbraw/zinc/21/58/81/888215881.db2.gz LHOVAFQWIXUREK-DENIHFKCSA-N 1 0 375.516 3.602 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001132086297 888216590 /nfs/dbraw/zinc/21/65/90/888216590.db2.gz LHOVAFQWIXUREK-KNQAVFIVSA-N 1 0 375.516 3.602 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532699121 888309632 /nfs/dbraw/zinc/30/96/32/888309632.db2.gz ALNKTMMTLDGQJM-YYAJDYIMSA-N 1 0 388.943 3.876 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000865605991 888471145 /nfs/dbraw/zinc/47/11/45/888471145.db2.gz MAOHCYLKVJIZMZ-GOSISDBHSA-N 1 0 379.464 3.862 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc(C#N)ccn2)cc1)C[C@@H]1CCCCO1 ZINC000503491285 888488835 /nfs/dbraw/zinc/48/88/35/888488835.db2.gz SKXNWJRMNWWNSJ-NRFANRHFSA-N 1 0 392.503 3.985 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)cc(OC)c1OC ZINC000729683550 888510702 /nfs/dbraw/zinc/51/07/02/888510702.db2.gz YXYYSKFRXSQIFI-UHFFFAOYSA-N 1 0 380.488 3.614 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000195341867 888681451 /nfs/dbraw/zinc/68/14/51/888681451.db2.gz VKQBNAITCSLWJK-HOTGVXAUSA-N 1 0 386.496 3.797 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000245502577 888807880 /nfs/dbraw/zinc/80/78/80/888807880.db2.gz GDTAPNLUVZEKLB-PKOBYXMFSA-N 1 0 379.508 3.675 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000532747246 888842413 /nfs/dbraw/zinc/84/24/13/888842413.db2.gz RFUCWUFHUUFILX-HBMCJLEFSA-N 1 0 383.536 3.687 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000866495694 888904997 /nfs/dbraw/zinc/90/49/97/888904997.db2.gz QWGUSVAXVTXSES-WZONZLPQSA-N 1 0 386.503 3.521 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)nn1-c1cccc(C#N)c1 ZINC000543727362 889038051 /nfs/dbraw/zinc/03/80/51/889038051.db2.gz LPHPOIUGXYTHEX-UHFFFAOYSA-N 1 0 391.519 3.579 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC001168510403 889126255 /nfs/dbraw/zinc/12/62/55/889126255.db2.gz VRZMVPJQMVIMAM-QHCPKHFHSA-N 1 0 376.456 3.509 20 30 GHEDRO CC#CCCCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000466786909 889173934 /nfs/dbraw/zinc/17/39/34/889173934.db2.gz LMTWDHXSUUHXKV-UHFFFAOYSA-N 1 0 389.543 3.819 20 30 GHEDRO COc1cc(CCC#N)c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1OC ZINC001170626929 889216822 /nfs/dbraw/zinc/21/68/22/889216822.db2.gz MNVGWQCCUBPFGN-UHFFFAOYSA-N 1 0 383.536 3.894 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245702574 889299374 /nfs/dbraw/zinc/29/93/74/889299374.db2.gz RPLZOLSECYVIKM-SCTDSRPQSA-N 1 0 397.548 3.799 20 30 GHEDRO Cc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000533040716 889595962 /nfs/dbraw/zinc/59/59/62/889595962.db2.gz OXIKFLKKZXBPRV-LJQANCHMSA-N 1 0 380.496 3.625 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000063400417 889601857 /nfs/dbraw/zinc/60/18/57/889601857.db2.gz NHONTISXWSSUIC-NRFANRHFSA-N 1 0 380.467 3.698 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811491412 889641974 /nfs/dbraw/zinc/64/19/74/889641974.db2.gz KVWUVZMJCBBVTQ-XJKSGUPXSA-N 1 0 383.414 3.924 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccncc3OCC(F)(F)F)CC2)cc1 ZINC000287505213 913377687 /nfs/dbraw/zinc/37/76/87/913377687.db2.gz NYXJTKMINITLTR-UHFFFAOYSA-N 1 0 390.409 3.653 20 30 GHEDRO C[C@@H](O)C[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000122410877 889758147 /nfs/dbraw/zinc/75/81/47/889758147.db2.gz XBENBIXOKZOGLP-RHSMWYFYSA-N 1 0 395.425 3.544 20 30 GHEDRO S=C(NN=Cc1ccc2[nH]ccc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000811631637 889798919 /nfs/dbraw/zinc/79/89/19/889798919.db2.gz HIJZRFMXVHXVPY-UHFFFAOYSA-N 1 0 391.544 3.631 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](CC3CCCCC3)CC2)c1C ZINC000064130290 889856235 /nfs/dbraw/zinc/85/62/35/889856235.db2.gz IQGOMNPZTPQESV-UHFFFAOYSA-N 1 0 396.579 3.748 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000125289165 889939423 /nfs/dbraw/zinc/93/94/23/889939423.db2.gz VZJRXZZIDSKGCP-GOSISDBHSA-N 1 0 388.531 3.515 20 30 GHEDRO N#Cc1ccc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000811826004 890044253 /nfs/dbraw/zinc/04/42/53/890044253.db2.gz ULYQPWAKGWZHFK-UHFFFAOYSA-N 1 0 380.448 3.596 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000811912634 890078322 /nfs/dbraw/zinc/07/83/22/890078322.db2.gz GOSYAJZGERCKDH-WIYYLYMNSA-N 1 0 381.907 3.836 20 30 GHEDRO COc1cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533303446 890254085 /nfs/dbraw/zinc/25/40/85/890254085.db2.gz XFVRTYVOXZVDJB-QFIPXVFZSA-N 1 0 391.515 3.814 20 30 GHEDRO CCCCNC(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000533325517 890279789 /nfs/dbraw/zinc/27/97/89/890279789.db2.gz LKIPDJIIRCXDGD-KRWDZBQOSA-N 1 0 382.426 3.565 20 30 GHEDRO C[C@H]1CN(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000795122873 890360080 /nfs/dbraw/zinc/36/00/80/890360080.db2.gz CHVYNXRIQOCXMN-PVFDWLMNSA-N 1 0 381.564 3.673 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000065416753 890448622 /nfs/dbraw/zinc/44/86/22/890448622.db2.gz LTPRTHLROCJCSN-IBGZPJMESA-N 1 0 398.551 3.743 20 30 GHEDRO Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)n2c3ccccc3nc2c1C#N ZINC000917064481 890923025 /nfs/dbraw/zinc/92/30/25/890923025.db2.gz WRXQGFPHHOUOCS-SFHVURJKSA-N 1 0 389.503 3.723 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1F ZINC000455528309 891091640 /nfs/dbraw/zinc/09/16/40/891091640.db2.gz ARPFJDWKAYYTKP-UHFFFAOYSA-N 1 0 394.494 3.547 20 30 GHEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000812899371 891114159 /nfs/dbraw/zinc/11/41/59/891114159.db2.gz RVSRHCWBVVNUNS-QGZVFWFLSA-N 1 0 378.476 3.598 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812936116 891144893 /nfs/dbraw/zinc/14/48/93/891144893.db2.gz MDJPFKXPNBZIPM-QHCPKHFHSA-N 1 0 393.506 3.850 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)NCC(C)(C)CCC#N)CCOCC1)c1ccccc1 ZINC000497358058 891209503 /nfs/dbraw/zinc/20/95/03/891209503.db2.gz LNJISOKTKNICFD-GOSISDBHSA-N 1 0 386.540 3.516 20 30 GHEDRO Cc1nn(C)c2nc(Cl)cc(N=NC3CC[NH+](CCC(F)(F)F)CC3)c12 ZINC000872423136 891258491 /nfs/dbraw/zinc/25/84/91/891258491.db2.gz DFDLFENYEZDVIM-UHFFFAOYSA-N 1 0 388.825 3.746 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN(C)[C@H]2CCC[C@@H]2C#N)c1=S ZINC000872681955 891301899 /nfs/dbraw/zinc/30/18/99/891301899.db2.gz LSKDDEKBJQMMFJ-IKGGRYGDSA-N 1 0 378.590 3.808 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000124264303 891337306 /nfs/dbraw/zinc/33/73/06/891337306.db2.gz UDKRLSQBOUNWKJ-LJQANCHMSA-N 1 0 376.460 3.592 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000287814396 913547981 /nfs/dbraw/zinc/54/79/81/913547981.db2.gz PDMUPYXYBDTJNY-SFTDATJTSA-N 1 0 380.492 3.642 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2C2CCC2)sc2c1CCC2 ZINC000576093641 891383634 /nfs/dbraw/zinc/38/36/34/891383634.db2.gz HEJKMPQSTZTADK-INIZCTEOSA-N 1 0 375.563 3.655 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000033222166 891441989 /nfs/dbraw/zinc/44/19/89/891441989.db2.gz ZVYHQAMIFBIYNK-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](c2ccccc2)C1 ZINC000497418033 891538125 /nfs/dbraw/zinc/53/81/25/891538125.db2.gz PNGDGGZSDMVTDH-YADHBBJMSA-N 1 0 398.466 3.573 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000251681008 891638221 /nfs/dbraw/zinc/63/82/21/891638221.db2.gz NLYCAULUZJXEHD-ZIFCJYIRSA-N 1 0 397.548 3.847 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497471787 891643459 /nfs/dbraw/zinc/64/34/59/891643459.db2.gz QXEHATNMQQRCHL-KRWDZBQOSA-N 1 0 396.457 3.909 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H](C)C1 ZINC000873699680 891763367 /nfs/dbraw/zinc/76/33/67/891763367.db2.gz NDPITUGCRWMMMP-DSKINZAPSA-N 1 0 393.535 3.514 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1C ZINC000191969147 891873762 /nfs/dbraw/zinc/87/37/62/891873762.db2.gz LVMCKOYFEVWEQL-OFNKIYASSA-N 1 0 377.488 3.670 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813791430 891980330 /nfs/dbraw/zinc/98/03/30/891980330.db2.gz AQRSVNINDBKQNR-LJQANCHMSA-N 1 0 392.268 3.814 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)ccc1OC ZINC000813860796 892032653 /nfs/dbraw/zinc/03/26/53/892032653.db2.gz VRCPSSDFJWVLHQ-OXJNMPFZSA-N 1 0 395.503 3.929 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@@H]3CCCCN3[C@H]3CC[NH2+]C3)n2)c(C#N)c1 ZINC001212102763 892069405 /nfs/dbraw/zinc/06/94/05/892069405.db2.gz TYVJAIKDRNZJTD-HKUYNNGSSA-N 1 0 379.508 3.795 20 30 GHEDRO CCc1cc[n+](C(C(=O)C2C=CC(=NC(C)=O)C=C2)C(=S)NC2CCC2)cc1 ZINC000814184301 892380121 /nfs/dbraw/zinc/38/01/21/892380121.db2.gz JRJGMWVNRRIYDQ-UHFFFAOYSA-O 1 0 396.536 3.660 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)/C=C\c1ccccc1C#N)[NH+]1CCCCC1 ZINC000917777551 892536787 /nfs/dbraw/zinc/53/67/87/892536787.db2.gz BHCKDVYSZWDFNF-KCNXZKISSA-N 1 0 389.499 3.923 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)N[C@@H](C)CC)[n+]2ccc(N(C)C)cc2)cc1 ZINC000154523863 892569019 /nfs/dbraw/zinc/56/90/19/892569019.db2.gz ZAVFCALOWRLTRY-INIZCTEOSA-O 1 0 384.569 3.929 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nc1 ZINC000125415070 892613305 /nfs/dbraw/zinc/61/33/05/892613305.db2.gz RITZBWZILHTGCO-UHFFFAOYSA-N 1 0 386.839 3.995 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1-n1cccn1)CC2 ZINC001137093893 892779911 /nfs/dbraw/zinc/77/99/11/892779911.db2.gz WRDKSDRINKCSEX-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272890370 892937166 /nfs/dbraw/zinc/93/71/66/892937166.db2.gz DSHWNWPJGBCAGL-YPUXHCPYSA-N 1 0 390.574 3.739 20 30 GHEDRO C=CCN(CCC#N)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000814620995 892971046 /nfs/dbraw/zinc/97/10/46/892971046.db2.gz PGGQUVFHVFOMRX-UHFFFAOYSA-N 1 0 389.931 3.806 20 30 GHEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000876166848 893000484 /nfs/dbraw/zinc/00/04/84/893000484.db2.gz MLEUUPMOSJUERZ-UHFFFAOYSA-N 1 0 391.515 3.656 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000778168767 893017828 /nfs/dbraw/zinc/01/78/28/893017828.db2.gz JCSFNRSOAKLFMX-UHFFFAOYSA-N 1 0 384.907 3.921 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000129122300 893063427 /nfs/dbraw/zinc/06/34/27/893063427.db2.gz IXXMOJVHPHEVRD-FMEYXAORSA-N 1 0 379.426 3.897 20 30 GHEDRO Cc1ccc(S(=O)(=O)c2ccc(N=NC(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000814737465 893131884 /nfs/dbraw/zinc/13/18/84/893131884.db2.gz GXOCZTIIMIRTJE-UHFFFAOYSA-N 1 0 385.533 3.957 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000876560131 893230491 /nfs/dbraw/zinc/23/04/91/893230491.db2.gz GJLLCNOHAUKJQN-HNNXBMFYSA-N 1 0 378.881 3.522 20 30 GHEDRO N#Cc1ncc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1Cl ZINC000455784048 893269716 /nfs/dbraw/zinc/26/97/16/893269716.db2.gz LEQCJZAXPTXOCG-UHFFFAOYSA-N 1 0 397.910 3.779 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000563013295 893276613 /nfs/dbraw/zinc/27/66/13/893276613.db2.gz HWCDOCUWLNPDPY-VTLFHKLASA-N 1 0 382.479 3.947 20 30 GHEDRO COc1cncc(/C=C/CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000563045973 893319307 /nfs/dbraw/zinc/31/93/07/893319307.db2.gz TXZQDGMXIFSKAU-GORDUTHDSA-N 1 0 390.487 3.716 20 30 GHEDRO N#CCCn1ncc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1-c1ccccc1 ZINC000428705413 893319446 /nfs/dbraw/zinc/31/94/46/893319446.db2.gz BWYMXCMFIFKCEX-FQEVSTJZSA-N 1 0 391.519 3.554 20 30 GHEDRO C[C@H]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455795920 893343329 /nfs/dbraw/zinc/34/33/29/893343329.db2.gz UPGJQOATPIWYLH-HNNXBMFYSA-N 1 0 383.883 3.735 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877046310 893456652 /nfs/dbraw/zinc/45/66/52/893456652.db2.gz LQFXCYOXSQWZHT-QFIPXVFZSA-N 1 0 379.504 3.618 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137115225 893460867 /nfs/dbraw/zinc/46/08/67/893460867.db2.gz DAQITSKSHWXAKD-QFIPXVFZSA-N 1 0 385.508 3.954 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000877074623 893470897 /nfs/dbraw/zinc/47/08/97/893470897.db2.gz CCMIKSRFEVSSHJ-GUYCJALGSA-N 1 0 390.833 3.778 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000877128458 893500366 /nfs/dbraw/zinc/50/03/66/893500366.db2.gz BZGBFHLAWOIAFQ-KGLIPLIRSA-N 1 0 385.455 3.921 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cc(C#N)cnc3Cl)C[C@@H]2C1 ZINC000877586026 893703155 /nfs/dbraw/zinc/70/31/55/893703155.db2.gz ZSIWYIJYCFANLL-UAGQMJEPSA-N 1 0 390.915 3.732 20 30 GHEDRO COc1ccccc1-c1ccnc(C2CC[NH+](Cc3cccc(C#N)n3)CC2)n1 ZINC000877643228 893739218 /nfs/dbraw/zinc/73/92/18/893739218.db2.gz ACJRHUGERZOGHI-UHFFFAOYSA-N 1 0 385.471 3.798 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877705195 893775223 /nfs/dbraw/zinc/77/52/23/893775223.db2.gz VNZBHXMQZVMIFT-UHFFFAOYSA-N 1 0 398.507 3.981 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000556123202 893813790 /nfs/dbraw/zinc/81/37/90/893813790.db2.gz MAADPCZZEVDBJI-PNHOKKKMSA-N 1 0 382.895 3.574 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000877928527 893898498 /nfs/dbraw/zinc/89/84/98/893898498.db2.gz YHOIGHXLIJTBHP-RPWUZVMVSA-N 1 0 376.500 3.873 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000934993271 894096774 /nfs/dbraw/zinc/09/67/74/894096774.db2.gz AXFPBDHHDQDIQT-FQEVSTJZSA-N 1 0 385.471 3.763 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455841011 894121548 /nfs/dbraw/zinc/12/15/48/894121548.db2.gz DKILGPDLMURRCY-QFIPXVFZSA-N 1 0 392.503 3.788 20 30 GHEDRO CC(=O)[C@](C#N)(CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000878271295 894145068 /nfs/dbraw/zinc/14/50/68/894145068.db2.gz DARAPQCTZSIYBV-DNQXCXABSA-N 1 0 375.516 3.633 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccccc3C#N)c3cnccc32)CC1 ZINC001135189849 894167822 /nfs/dbraw/zinc/16/78/22/894167822.db2.gz OSZZNXDIXLQLFT-TWGQIWQCSA-N 1 0 397.482 3.510 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459810815 894197449 /nfs/dbraw/zinc/19/74/49/894197449.db2.gz UMNZXOKDWWQMBM-LSTHTHJFSA-N 1 0 376.566 3.524 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935147131 894229002 /nfs/dbraw/zinc/22/90/02/894229002.db2.gz LJQWHTGTVLMXOY-RHSMWYFYSA-N 1 0 395.931 3.625 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000537061596 894252677 /nfs/dbraw/zinc/25/26/77/894252677.db2.gz RXKGRCXJCGQCPS-DEYYWGMASA-N 1 0 385.430 3.721 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2[nH]c3ccccc3c2C#N)[NH+]2CCCC2)cc1 ZINC001135272468 894279425 /nfs/dbraw/zinc/27/94/25/894279425.db2.gz QHOGCPIPGLHRTP-OAQYLSRUSA-N 1 0 388.471 3.615 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000537076279 894299737 /nfs/dbraw/zinc/29/97/37/894299737.db2.gz YNIWZZOQQSOUEX-MGSYBHFQSA-N 1 0 399.535 3.818 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000537104539 894316894 /nfs/dbraw/zinc/31/68/94/894316894.db2.gz FEZZQTOVEFHONA-ZDUSSCGKSA-N 1 0 375.519 3.648 20 30 GHEDRO C=CCC(F)(F)C(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000815948706 894352528 /nfs/dbraw/zinc/35/25/28/894352528.db2.gz RMLYWOFWNRDSJD-CALCHBBNSA-N 1 0 380.479 3.523 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(CC)cc1 ZINC000022795722 894406806 /nfs/dbraw/zinc/40/68/06/894406806.db2.gz CAVGRLPBQVMMIO-UHFFFAOYSA-O 1 0 384.481 3.549 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000537159277 894443002 /nfs/dbraw/zinc/44/30/02/894443002.db2.gz LEVPIGUXIKFXML-DEOSSOPVSA-N 1 0 391.515 3.775 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000564200637 894713833 /nfs/dbraw/zinc/71/38/33/894713833.db2.gz IAGYMVXGPJRHKO-UHFFFAOYSA-N 1 0 380.492 3.941 20 30 GHEDRO C[C@@H]1CC[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000564211427 894725618 /nfs/dbraw/zinc/72/56/18/894725618.db2.gz HFRFCMPABONTJM-GLJUWKHASA-N 1 0 389.425 3.898 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(OC)c3F)CC2)C1=O ZINC001275436894 913896612 /nfs/dbraw/zinc/89/66/12/913896612.db2.gz RIAWBMWVUXAKGL-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nccn3Cc3ccccc3)CC2)cc1 ZINC000026912987 894962235 /nfs/dbraw/zinc/96/22/35/894962235.db2.gz AQEGUMHLMUXDMR-UHFFFAOYSA-N 1 0 385.515 3.511 20 30 GHEDRO C=CCCC[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000879342339 894994959 /nfs/dbraw/zinc/99/49/59/894994959.db2.gz ACVOHLFWWKGLIQ-PMVMPFDFSA-N 1 0 383.580 3.611 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c(C(F)(F)F)c1 ZINC000564614694 895124835 /nfs/dbraw/zinc/12/48/35/895124835.db2.gz CCYCELGQBVBLTG-UHFFFAOYSA-N 1 0 377.366 3.564 20 30 GHEDRO COC(=O)c1ccc(NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c(C#N)n1 ZINC000565221341 895468005 /nfs/dbraw/zinc/46/80/05/895468005.db2.gz IVKGHDPKVFQNFH-MRXNPFEDSA-N 1 0 378.476 3.815 20 30 GHEDRO C#CCC1(O)CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000880480125 895725994 /nfs/dbraw/zinc/72/59/94/895725994.db2.gz KKOJNAWEKOXLND-SFHVURJKSA-N 1 0 395.330 3.507 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000565566230 895726937 /nfs/dbraw/zinc/72/69/37/895726937.db2.gz LHJKODHMEDIHFI-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880927496 896004875 /nfs/dbraw/zinc/00/48/75/896004875.db2.gz IAPFHSIVKPJOON-QGZVFWFLSA-N 1 0 382.430 3.677 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C2CC2)c1 ZINC000566015732 896049666 /nfs/dbraw/zinc/04/96/66/896049666.db2.gz JPFSDUCJFSBORV-UHFFFAOYSA-N 1 0 376.508 3.606 20 30 GHEDRO COC(OC)c1ccc(F)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000818210241 896079375 /nfs/dbraw/zinc/07/93/75/896079375.db2.gz SJAPFDMUFACSHU-UHFFFAOYSA-N 1 0 399.466 3.864 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566187467 896161797 /nfs/dbraw/zinc/16/17/97/896161797.db2.gz SSXGDBFIULWCMG-GJZGRUSLSA-N 1 0 382.426 3.732 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881134551 896183221 /nfs/dbraw/zinc/18/32/21/896183221.db2.gz LTIBLYQCPRDNSN-JOCHJYFZSA-N 1 0 389.503 3.507 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000818606579 896234822 /nfs/dbraw/zinc/23/48/22/896234822.db2.gz XUXHQGXLVGKSMF-UHFFFAOYSA-N 1 0 394.302 3.652 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818941767 896284571 /nfs/dbraw/zinc/28/45/71/896284571.db2.gz QRURMOXPLOMTTB-SFHVURJKSA-N 1 0 391.334 3.877 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000566422732 896303052 /nfs/dbraw/zinc/30/30/52/896303052.db2.gz CHVXOPMYUZYNDP-UZUQRXQVSA-N 1 0 378.520 3.857 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]CCC(=O)Nc2ccccc2F)ccc1OC ZINC000819066894 896383199 /nfs/dbraw/zinc/38/31/99/896383199.db2.gz FZRPAWHHGYZQSA-INIZCTEOSA-N 1 0 385.439 3.634 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000819110297 896416399 /nfs/dbraw/zinc/41/63/99/896416399.db2.gz AZGGIUNHMUVMIA-UONOGXRCSA-N 1 0 385.986 3.582 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001136195675 896449089 /nfs/dbraw/zinc/44/90/89/896449089.db2.gz DLCRHICQJSQUGY-HXUWFJFHSA-N 1 0 386.417 3.838 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)cc1 ZINC000819261208 896548668 /nfs/dbraw/zinc/54/86/68/896548668.db2.gz BMXWDJPGXVWYBR-DYVFJYSZSA-N 1 0 393.270 3.718 20 30 GHEDRO C[N@H+](C[C@@H](O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CC1 ZINC000819434673 896665296 /nfs/dbraw/zinc/66/52/96/896665296.db2.gz SNWZKIHFEHORAR-IBGZPJMESA-N 1 0 385.895 3.658 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc(C#N)cc2Br)CC1 ZINC000882124575 896670188 /nfs/dbraw/zinc/67/01/88/896670188.db2.gz YCBRDCWEXJHEEM-CYBMUJFWSA-N 1 0 386.297 3.748 20 30 GHEDRO CCCNc1ccc(C#N)cc1NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000567177850 896940400 /nfs/dbraw/zinc/94/04/00/896940400.db2.gz PSDFGGGZJDHUEM-UHFFFAOYSA-N 1 0 397.567 3.515 20 30 GHEDRO Cc1nc2sc(-c3ccccc3)cc2c(N=NC2CC[NH+](CCO)CC2)n1 ZINC000819806445 897010434 /nfs/dbraw/zinc/01/04/34/897010434.db2.gz PUDOCTNKPYVGAE-UHFFFAOYSA-N 1 0 381.505 3.523 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1 ZINC000130424464 897082253 /nfs/dbraw/zinc/08/22/53/897082253.db2.gz RSVJXCLGTRRTAP-UHFFFAOYSA-N 1 0 385.467 3.660 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000778585645 897136253 /nfs/dbraw/zinc/13/62/53/897136253.db2.gz VEVZOCBUJYMKRD-QFBILLFUSA-N 1 0 395.507 3.614 20 30 GHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882947177 897136552 /nfs/dbraw/zinc/13/65/52/897136552.db2.gz NWCPCXFFXRYUCE-UHFFFAOYSA-N 1 0 392.503 3.833 20 30 GHEDRO COC(=O)c1ccc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c(C#N)n1 ZINC000567486978 897196554 /nfs/dbraw/zinc/19/65/54/897196554.db2.gz ZQPKSEPEMOFVMB-SFHVURJKSA-N 1 0 384.505 3.686 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000131020344 897295126 /nfs/dbraw/zinc/29/51/26/897295126.db2.gz UCWBKZMGGIDAHL-CVDCTZTESA-N 1 0 376.500 3.583 20 30 GHEDRO C=CC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001136335208 897302867 /nfs/dbraw/zinc/30/28/67/897302867.db2.gz RUDIQQWVNXFGSU-AVRDEDQJSA-N 1 0 393.572 3.570 20 30 GHEDRO CC1(c2cccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)c2)OCCO1 ZINC000883128474 897304286 /nfs/dbraw/zinc/30/42/86/897304286.db2.gz ITRRGBRDHOJSSF-UHFFFAOYSA-N 1 0 377.488 3.536 20 30 GHEDRO C#C[C@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000820495591 897338926 /nfs/dbraw/zinc/33/89/26/897338926.db2.gz QAUVNWBQRLSELW-VXKWHMMOSA-N 1 0 394.494 3.591 20 30 GHEDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000805749564 897363012 /nfs/dbraw/zinc/36/30/12/897363012.db2.gz NYYVXHOTGORYHW-FYINFDKHSA-N 1 0 383.455 3.702 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)[C@@H]1CCCO1 ZINC000883220229 897381203 /nfs/dbraw/zinc/38/12/03/897381203.db2.gz GMQOXHUIYBPBDB-JTAQYXEDSA-N 1 0 397.519 3.515 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)[C@H]1CCCO1 ZINC000883223096 897382757 /nfs/dbraw/zinc/38/27/57/897382757.db2.gz HYGBDZHGBHADFZ-WOJBJXKFSA-N 1 0 397.519 3.659 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)C1 ZINC000805750548 897392697 /nfs/dbraw/zinc/39/26/97/897392697.db2.gz OHPTWFKBMKXWIK-ZFWWWQNUSA-N 1 0 394.313 3.667 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c(-c2ccccc2)n1 ZINC000883255825 897408854 /nfs/dbraw/zinc/40/88/54/897408854.db2.gz GGHOWRZKBWEUQC-NRFANRHFSA-N 1 0 394.519 3.529 20 30 GHEDRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000568072784 897571384 /nfs/dbraw/zinc/57/13/84/897571384.db2.gz NXUZQTIGFAZOAH-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)C(C)C)nnc1-c1cccc(Cl)c1 ZINC000568261245 897702600 /nfs/dbraw/zinc/70/26/00/897702600.db2.gz CQRQTJFONZOHHB-MRXNPFEDSA-N 1 0 380.945 3.578 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4ccccn4)nc3)CC2)cc1 ZINC000568386050 897799944 /nfs/dbraw/zinc/79/99/44/897799944.db2.gz LRDDDRCLHWQMML-UHFFFAOYSA-N 1 0 383.499 3.723 20 30 GHEDRO COCC#CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC001136446119 897888200 /nfs/dbraw/zinc/88/82/00/897888200.db2.gz WPCYWKMQUHBOOP-GOSISDBHSA-N 1 0 385.335 3.558 20 30 GHEDRO N#Cc1cccc(-c2csc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)n2)c1 ZINC000568725482 898066747 /nfs/dbraw/zinc/06/67/47/898066747.db2.gz UFFQGKVKEUENOZ-KRWDZBQOSA-N 1 0 398.557 3.838 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000568734026 898071150 /nfs/dbraw/zinc/07/11/50/898071150.db2.gz VCIADISYIOSLDP-DENIHFKCSA-N 1 0 390.487 3.661 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCOc3ccccc32)c(OC)c1 ZINC000568992209 898261669 /nfs/dbraw/zinc/26/16/69/898261669.db2.gz ZXXMTXMNHJFFDG-ICSRJNTNSA-N 1 0 383.488 3.667 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000569189644 898402527 /nfs/dbraw/zinc/40/25/27/898402527.db2.gz FJMROTMXBDONCA-WIRSXHRWSA-N 1 0 382.504 3.555 20 30 GHEDRO COC(=O)c1cccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)c1 ZINC000133557026 898610971 /nfs/dbraw/zinc/61/09/71/898610971.db2.gz FUAVBHRGZUODDT-UHFFFAOYSA-O 1 0 397.520 3.622 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000569452071 898677542 /nfs/dbraw/zinc/67/75/42/898677542.db2.gz QPWCHVXHVPPRAP-WMZHIEFXSA-N 1 0 390.531 3.947 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cccc(C(=O)OC)c2)C(=S)N[C@H](C)CC)cc1 ZINC000133598180 898705528 /nfs/dbraw/zinc/70/55/28/898705528.db2.gz ZMZCSCVPGITQNI-OAHLLOKOSA-O 1 0 399.536 3.650 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC3c4ccccc4C1c1ccccc13)C2 ZINC000884057728 898708333 /nfs/dbraw/zinc/70/83/33/898708333.db2.gz PAKJYNMFVBXVFT-ZCNHCDEPSA-N 1 0 397.522 3.539 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@@H]1C ZINC000569510859 898729299 /nfs/dbraw/zinc/72/92/99/898729299.db2.gz CNWOVCFNBITZKL-JKSUJKDBSA-N 1 0 379.464 3.692 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111506948 898807767 /nfs/dbraw/zinc/80/77/67/898807767.db2.gz FIPPLPMICOYTSB-NOTZXAQLSA-N 1 0 388.515 3.895 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(CC)([NH+]3CCC3)CC2)c1 ZINC000884148962 899085236 /nfs/dbraw/zinc/08/52/36/899085236.db2.gz XREAVXFJITXYNN-IBGZPJMESA-N 1 0 384.524 3.527 20 30 GHEDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1OCCCC#N ZINC000114509017 899091416 /nfs/dbraw/zinc/09/14/16/899091416.db2.gz NLKAYKVPCYQISS-NRFANRHFSA-N 1 0 390.430 3.653 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000823617826 899137039 /nfs/dbraw/zinc/13/70/39/899137039.db2.gz NNKCTFNBVPVHLA-JXFKEZNVSA-N 1 0 387.524 3.559 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1)C2 ZINC000884165864 899156827 /nfs/dbraw/zinc/15/68/27/899156827.db2.gz QBEHENVKIJKHBK-GJGORFQUSA-N 1 0 385.389 3.849 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289740505 914323997 /nfs/dbraw/zinc/32/39/97/914323997.db2.gz IVTNAJPOCYIKPK-IERDGZPVSA-N 1 0 391.475 3.836 20 30 GHEDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331883886 899242383 /nfs/dbraw/zinc/24/23/83/899242383.db2.gz FIAIMBUDSBVDRV-JYJNAYRXSA-N 1 0 389.565 3.699 20 30 GHEDRO Cc1nc(C#N)c(C#N)nc1N[C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H]1C ZINC001171032364 899250599 /nfs/dbraw/zinc/25/05/99/899250599.db2.gz UGNDSUJZXZKBJL-TTWWCZNXSA-N 1 0 380.540 3.899 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000823790332 899262946 /nfs/dbraw/zinc/26/29/46/899262946.db2.gz YFAZJJOMDCWRAQ-LJQANCHMSA-N 1 0 397.563 3.862 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000823801590 899267789 /nfs/dbraw/zinc/26/77/89/899267789.db2.gz JYFJADDQXWACDV-SLFFLAALSA-N 1 0 390.572 3.522 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC000823887574 899307069 /nfs/dbraw/zinc/30/70/69/899307069.db2.gz KDWSGKAUJJZUHP-SVMVAKDDSA-N 1 0 385.508 3.714 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(F)c1 ZINC001136804266 899338210 /nfs/dbraw/zinc/33/82/10/899338210.db2.gz XEJSXASYGPTCRY-INIZCTEOSA-N 1 0 391.368 3.720 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1Cl ZINC000570590047 899413616 /nfs/dbraw/zinc/41/36/16/899413616.db2.gz GHAGENLVHKJLNO-DYXWJJEUSA-N 1 0 395.890 3.655 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000824272611 899477599 /nfs/dbraw/zinc/47/75/99/899477599.db2.gz WFXGANAUZRBTAW-SLYNCCJLSA-N 1 0 390.487 3.716 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2Br)cc1 ZINC000825305141 900080418 /nfs/dbraw/zinc/08/04/18/900080418.db2.gz DNGBVXSZAZAKJZ-KUHUBIRLSA-N 1 0 389.293 3.905 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC000825275228 900085798 /nfs/dbraw/zinc/08/57/98/900085798.db2.gz AVOHYHAOONKBFD-XKGZKEIXSA-N 1 0 385.508 3.809 20 30 GHEDRO C[C@H]1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001137043235 900191017 /nfs/dbraw/zinc/19/10/17/900191017.db2.gz NZGIWTHBHXZGSM-IBGZPJMESA-N 1 0 375.516 3.959 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc(F)cc3OCC#N)C2)CC1 ZINC000135252360 900209887 /nfs/dbraw/zinc/20/98/87/900209887.db2.gz FSFXVMJPXZLWCY-QGZVFWFLSA-N 1 0 388.487 3.704 20 30 GHEDRO COc1cc2cc(C#N)c(-n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)nc2cc1OC ZINC001171092137 900215082 /nfs/dbraw/zinc/21/50/82/900215082.db2.gz YOZPGVYDNQLMRE-INIZCTEOSA-N 1 0 398.466 3.884 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000135331333 900225166 /nfs/dbraw/zinc/22/51/66/900225166.db2.gz VVNJWUMMKZZSRC-APWZRJJASA-N 1 0 396.466 3.760 20 30 GHEDRO N#CCc1ccc(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000573722128 900607065 /nfs/dbraw/zinc/60/70/65/900607065.db2.gz GLAHDFSSWATSEZ-PMACEKPBSA-N 1 0 387.483 3.840 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844308807 900665130 /nfs/dbraw/zinc/66/51/30/900665130.db2.gz BGNIIQAPSWCDOV-HOCLYGCPSA-N 1 0 388.468 3.592 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CCC1 ZINC000886068120 900701921 /nfs/dbraw/zinc/70/19/21/900701921.db2.gz RWMORKUSKFAAPX-MRXNPFEDSA-N 1 0 393.890 3.574 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000844332810 900706476 /nfs/dbraw/zinc/70/64/76/900706476.db2.gz XNGPTXFKQGCJQK-AWEZNQCLSA-N 1 0 380.404 3.664 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)c([N+](=O)[O-])c1 ZINC000844324413 900730402 /nfs/dbraw/zinc/73/04/02/900730402.db2.gz NRRMUXQHPUXOPS-UHFFFAOYSA-N 1 0 386.839 3.806 20 30 GHEDRO C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371645 900738446 /nfs/dbraw/zinc/73/84/46/900738446.db2.gz PMCNUWFCTRPNJH-HXUWFJFHSA-N 1 0 396.487 3.558 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC000844354355 900757373 /nfs/dbraw/zinc/75/73/73/900757373.db2.gz IPIORHYUAXCDIX-BHDDXSALSA-N 1 0 398.547 3.822 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H]([C@H]2CCC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000844354470 900757686 /nfs/dbraw/zinc/75/76/86/900757686.db2.gz KHDUBTOYOSYIBO-BZSNNMDCSA-N 1 0 379.545 3.711 20 30 GHEDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000775010838 914482083 /nfs/dbraw/zinc/48/20/83/914482083.db2.gz FUCZUTQYCVKGQD-IBGZPJMESA-N 1 0 398.304 3.520 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(F)c(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000574468793 900900163 /nfs/dbraw/zinc/90/01/63/900900163.db2.gz APLDOFKBOSMMGS-OAQYLSRUSA-N 1 0 381.451 3.663 20 30 GHEDRO Cc1cc(C(O)=CONC(=[NH2+])Cc2cccnc2)c(C)n1CCc1cccs1 ZINC000137659681 900933061 /nfs/dbraw/zinc/93/30/61/900933061.db2.gz WAMTWNIBLCEQOR-UHFFFAOYSA-N 1 0 396.516 3.518 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(Br)c(OCC=C)c(OC)c2)CCOCC1 ZINC000886384563 900971698 /nfs/dbraw/zinc/97/16/98/900971698.db2.gz XAOALZKWYHCBBP-UHFFFAOYSA-N 1 0 394.309 3.685 20 30 GHEDRO C[C@@H](NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000844596133 901061216 /nfs/dbraw/zinc/06/12/16/901061216.db2.gz GUUJEBXRYXSEEK-QGZVFWFLSA-N 1 0 378.545 3.748 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2ccc(CC(=O)OC)cc2)ccc1O ZINC000844607377 901072671 /nfs/dbraw/zinc/07/26/71/901072671.db2.gz WOZYHDPRXWZKTM-UHFFFAOYSA-N 1 0 383.492 3.786 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)[NH+]2CCCC2)cc1 ZINC000070754400 901153547 /nfs/dbraw/zinc/15/35/47/901153547.db2.gz YALCPMBQXYSDEZ-NRFANRHFSA-N 1 0 378.476 3.720 20 30 GHEDRO C#CCN(C(=O)CCC(=O)c1cc(Cl)sc1Cl)C1CC[NH+](C)CC1 ZINC000886580025 901176737 /nfs/dbraw/zinc/17/67/37/901176737.db2.gz RVQQHNYMMJJFFF-UHFFFAOYSA-N 1 0 387.332 3.574 20 30 GHEDRO C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000844714535 901192590 /nfs/dbraw/zinc/19/25/90/901192590.db2.gz AALUHLFBJQGEKP-VAMGGRTRSA-N 1 0 391.515 3.641 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(C)cc(Br)c3)C2)C1=O ZINC001144214382 901269083 /nfs/dbraw/zinc/26/90/83/901269083.db2.gz BXLFCEDVASWWSA-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000886930358 901332899 /nfs/dbraw/zinc/33/28/99/901332899.db2.gz ZZTHHCUOKGDITK-JOCHJYFZSA-N 1 0 391.475 3.743 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CCOCC1 ZINC000887123208 901444500 /nfs/dbraw/zinc/44/45/00/901444500.db2.gz FCNFNPZEKFQCQL-QFIPXVFZSA-N 1 0 396.918 3.708 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CCN(Cc2ccccc2)C2CCCCC2)nc1 ZINC000575901709 901452544 /nfs/dbraw/zinc/45/25/44/901452544.db2.gz VHNMMTXSYWBMTJ-UHFFFAOYSA-N 1 0 383.517 3.562 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001144396273 902028946 /nfs/dbraw/zinc/02/89/46/902028946.db2.gz ZQVFUPJIRQVWIS-QPTUXGOLSA-N 1 0 389.543 3.939 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001171179508 902096107 /nfs/dbraw/zinc/09/61/07/902096107.db2.gz SPYHBJCENCIEAH-HCLVMJGWSA-N 1 0 399.535 3.637 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000124660513 902099933 /nfs/dbraw/zinc/09/99/33/902099933.db2.gz UOKUCZVYNDAFDW-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000576588463 902113062 /nfs/dbraw/zinc/11/30/62/902113062.db2.gz GCYPLZHTKISQJG-CQSZACIVSA-N 1 0 377.822 3.565 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(CCC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000333499317 902136843 /nfs/dbraw/zinc/13/68/43/902136843.db2.gz VZDHMIJKTYKBPA-UHFFFAOYSA-N 1 0 388.581 3.781 20 30 GHEDRO COc1ccc(CN2CCC([NH2+][C@@H](C)Cc3cccc(C#N)c3)CC2)cc1F ZINC001171195198 902283518 /nfs/dbraw/zinc/28/35/18/902283518.db2.gz QEVHJEXFYLQOLJ-KRWDZBQOSA-N 1 0 381.495 3.891 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)cc1 ZINC001144569740 902401030 /nfs/dbraw/zinc/40/10/30/902401030.db2.gz YUKRVWYRAWBLGO-UHFFFAOYSA-N 1 0 379.529 3.590 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)cc1 ZINC001144572477 902405218 /nfs/dbraw/zinc/40/52/18/902405218.db2.gz ZMWDVRAADCRJMU-DNQXCXABSA-N 1 0 376.500 3.651 20 30 GHEDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000577036247 902451727 /nfs/dbraw/zinc/45/17/27/902451727.db2.gz PYNDLFHQEBGGDJ-UHFFFAOYSA-N 1 0 392.377 3.761 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000263738683 902455033 /nfs/dbraw/zinc/45/50/33/902455033.db2.gz ABZVFYUVZVJUGY-SFHVURJKSA-N 1 0 381.476 3.580 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C#N)cn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000577056285 902471455 /nfs/dbraw/zinc/47/14/55/902471455.db2.gz OSYDPPXCRFQRIZ-QFIPXVFZSA-N 1 0 388.515 3.716 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC12CCCC2 ZINC000577145498 902536441 /nfs/dbraw/zinc/53/64/41/902536441.db2.gz GBGRNOJFPYMDHP-HSZRJFAPSA-N 1 0 394.519 3.914 20 30 GHEDRO CCc1ccc([C@H](C#N)N(C)C(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000577188954 902575433 /nfs/dbraw/zinc/57/54/33/902575433.db2.gz PZNBZAVVEQNZPJ-QFIPXVFZSA-N 1 0 376.504 3.892 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000047915488 902628176 /nfs/dbraw/zinc/62/81/76/902628176.db2.gz FVBAAUAHGZELMM-LJQANCHMSA-N 1 0 382.533 3.892 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000263917379 902680229 /nfs/dbraw/zinc/68/02/29/902680229.db2.gz AQNIDCUKRKWFAV-UHFFFAOYSA-N 1 0 383.521 3.554 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001171211696 902693766 /nfs/dbraw/zinc/69/37/66/902693766.db2.gz GJWKYBDVQKMMKB-UCFCWBNQSA-N 1 0 391.515 3.834 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001171212236 902697183 /nfs/dbraw/zinc/69/71/83/902697183.db2.gz KYQJVQXTXHSRRX-LJQANCHMSA-N 1 0 379.548 3.994 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213142 902708795 /nfs/dbraw/zinc/70/87/95/902708795.db2.gz VNSDWSCTBAUYQK-JFTIXFDTSA-N 1 0 391.563 3.559 20 30 GHEDRO CN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577370299 902718364 /nfs/dbraw/zinc/71/83/64/902718364.db2.gz CZDLIRPXEAPFKI-FYYLOGMGSA-N 1 0 388.515 3.852 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001171218389 902776213 /nfs/dbraw/zinc/77/62/13/902776213.db2.gz UWVWFDBZGFIIMJ-DVECYGJZSA-N 1 0 388.515 3.541 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CCOCC1 ZINC000600719728 902842874 /nfs/dbraw/zinc/84/28/74/902842874.db2.gz WEKFHHGEUNNBCA-LJQANCHMSA-N 1 0 384.451 3.779 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC2(c3cccc(Cl)c3F)CCCC2)CCOCC1 ZINC000600733630 902856675 /nfs/dbraw/zinc/85/66/75/902856675.db2.gz LFNXYLQYGKIMRV-INIZCTEOSA-N 1 0 394.918 3.952 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859677 903015211 /nfs/dbraw/zinc/01/52/11/903015211.db2.gz MBQHLIATJZNJMB-OAQYLSRUSA-N 1 0 393.531 3.963 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001171232778 903047630 /nfs/dbraw/zinc/04/76/30/903047630.db2.gz WJOWVIBUKPWNPC-PBHICJAKSA-N 1 0 390.409 3.841 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001171232782 903047777 /nfs/dbraw/zinc/04/77/77/903047777.db2.gz WJOWVIBUKPWNPC-WMLDXEAASA-N 1 0 390.409 3.841 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(SC)c(OC)c2)CC1 ZINC000264375407 903053250 /nfs/dbraw/zinc/05/32/50/903053250.db2.gz JYKFIUFGFWOBFR-UHFFFAOYSA-N 1 0 377.554 3.599 20 30 GHEDRO Cc1cc(C#N)ccc1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000846747367 903187993 /nfs/dbraw/zinc/18/79/93/903187993.db2.gz GJBJOHLITQQQFU-UHFFFAOYSA-N 1 0 379.504 3.968 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000133061641 903341823 /nfs/dbraw/zinc/34/18/23/903341823.db2.gz UGTCZJJYCOJOII-DLBZAZTESA-N 1 0 382.426 3.845 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000601152262 903396475 /nfs/dbraw/zinc/39/64/75/903396475.db2.gz MACWUYOKMMQMEL-UHFFFAOYSA-N 1 0 382.533 3.607 20 30 GHEDRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC4=CC[C@H](C#N)CC4)cc(c32)C1=O ZINC001212865324 903411907 /nfs/dbraw/zinc/41/19/07/903411907.db2.gz FWABYPQGEURRAT-HNNXBMFYSA-N 1 0 388.471 3.617 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000601186313 903442319 /nfs/dbraw/zinc/44/23/19/903442319.db2.gz LVNJOTQWSABLFI-UHFFFAOYSA-N 1 0 376.504 3.723 20 30 GHEDRO C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000601187186 903442869 /nfs/dbraw/zinc/44/28/69/903442869.db2.gz BJDRICGPXFADQZ-MOPGFXCFSA-N 1 0 376.504 3.723 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)o2)cc1 ZINC000134812922 903574228 /nfs/dbraw/zinc/57/42/28/903574228.db2.gz GVRPPLLHDSLVRH-UXHICEINSA-N 1 0 392.434 3.835 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000578177567 903588969 /nfs/dbraw/zinc/58/89/69/903588969.db2.gz XPLZVQHQHHRWKQ-DYESRHJHSA-N 1 0 390.535 3.846 20 30 GHEDRO CSc1ccc([C@H](CNC(=[NH2+])NC2CC2)N2CCc3sccc3C2)cc1 ZINC000303385345 914739175 /nfs/dbraw/zinc/73/91/75/914739175.db2.gz VLIJEMRFRPLZIW-SFHVURJKSA-N 1 0 386.590 3.636 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccc(COCC(F)(F)F)c2)cc1OC ZINC000136901327 903822590 /nfs/dbraw/zinc/82/25/90/903822590.db2.gz QJSUEXQGCZNZOI-UHFFFAOYSA-N 1 0 397.397 3.710 20 30 GHEDRO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)NC(C1CC1)C1CC1)[n+]1ccccc1 ZINC000265378940 903852184 /nfs/dbraw/zinc/85/21/84/903852184.db2.gz QQISZLVNYYFKPV-UHFFFAOYSA-O 1 0 396.492 3.599 20 30 GHEDRO COc1ccc(-c2n[nH]cc2C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000578580049 903979018 /nfs/dbraw/zinc/97/90/18/903979018.db2.gz QXBWTXIHZGAWRB-UHFFFAOYSA-N 1 0 376.460 3.606 20 30 GHEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000578601460 904000542 /nfs/dbraw/zinc/00/05/42/904000542.db2.gz CRFPJCDNFJFCIB-RTWAWAEBSA-N 1 0 398.576 3.680 20 30 GHEDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000578802102 904132378 /nfs/dbraw/zinc/13/23/78/904132378.db2.gz MBYRCBVRSBNZOS-JPYJTQIMSA-N 1 0 391.515 3.537 20 30 GHEDRO Cc1cccc(N(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001148614479 904139527 /nfs/dbraw/zinc/13/95/27/904139527.db2.gz SQBCZDGRBKKYRK-RVSNTGDXSA-N 1 0 389.499 3.790 20 30 GHEDRO C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)c1 ZINC001148614083 904139979 /nfs/dbraw/zinc/13/99/79/904139979.db2.gz NVQDRWUDWJCDOY-MNEFBYGVSA-N 1 0 380.517 3.507 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)CC1 ZINC000282742769 904299122 /nfs/dbraw/zinc/29/91/22/904299122.db2.gz NFRRLMSQJCXCEV-UHFFFAOYSA-N 1 0 375.563 3.916 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1cccc2nc([C@H]3C[NH2+]CCO3)cn21 ZINC001171376417 904404809 /nfs/dbraw/zinc/40/48/09/904404809.db2.gz WCMQFWGRSHCRPY-OXQOHEQNSA-N 1 0 378.476 3.733 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000303453699 914819134 /nfs/dbraw/zinc/81/91/34/914819134.db2.gz JIPXGWNMRBLPKH-IBGZPJMESA-N 1 0 393.462 3.798 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccnc(OCc3ccccc3)c2)c1 ZINC000104164397 904546131 /nfs/dbraw/zinc/54/61/31/904546131.db2.gz VIAXCNCTVNFSJS-UHFFFAOYSA-N 1 0 392.459 3.605 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171536017 904761567 /nfs/dbraw/zinc/76/15/67/904761567.db2.gz QCUMWJXXKSZRSX-HNNXBMFYSA-N 1 0 378.438 3.604 20 30 GHEDRO Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001171570688 904838011 /nfs/dbraw/zinc/83/80/11/904838011.db2.gz HJTMDIZQYQWSOB-PXDATVDWSA-N 1 0 385.511 3.853 20 30 GHEDRO C#CCOCCOCC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171647251 904891564 /nfs/dbraw/zinc/89/15/64/904891564.db2.gz JLEUBNLVDMQJGL-UHFFFAOYSA-N 1 0 380.326 3.731 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1C[C@H](C)N(Cc3ccccc3)C1)C2 ZINC001171751003 904979451 /nfs/dbraw/zinc/97/94/51/904979451.db2.gz MWRROYGWPVJAJR-ODGPQVTHSA-N 1 0 381.564 3.683 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]2c2ccccc2)C1=O ZINC001171796652 905055165 /nfs/dbraw/zinc/05/51/65/905055165.db2.gz PLGJELKXTPTXAL-LFAGZIFBSA-N 1 0 390.502 3.797 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)c1cnn(CCC#N)c1C)c1ccc(Cl)cc1 ZINC000890501640 905078340 /nfs/dbraw/zinc/07/83/40/905078340.db2.gz DWLGTBFWFNVGEY-IBGZPJMESA-N 1 0 387.915 3.572 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001171834269 905085197 /nfs/dbraw/zinc/08/51/97/905085197.db2.gz NDAGUGWLPQYMHC-KRWDZBQOSA-N 1 0 387.405 3.785 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)o2)cc1 ZINC000173644207 905085314 /nfs/dbraw/zinc/08/53/14/905085314.db2.gz LWXDTUABVRXVTD-IBGZPJMESA-N 1 0 379.508 3.696 20 30 GHEDRO C=CCc1cc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1O ZINC000189484992 905100207 /nfs/dbraw/zinc/10/02/07/905100207.db2.gz SNGFBGKGUJUXLM-UHFFFAOYSA-N 1 0 388.508 3.786 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000173808608 905132511 /nfs/dbraw/zinc/13/25/11/905132511.db2.gz FMBVIWHNOSGWOM-QGZVFWFLSA-N 1 0 381.476 3.534 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000173885495 905156027 /nfs/dbraw/zinc/15/60/27/905156027.db2.gz LXIRMDTWUDICQX-JKSUJKDBSA-N 1 0 396.466 3.770 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171988583 905253573 /nfs/dbraw/zinc/25/35/73/905253573.db2.gz KEQNGKYRIQGSRI-IBGZPJMESA-N 1 0 378.358 3.658 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172020471 905262771 /nfs/dbraw/zinc/26/27/71/905262771.db2.gz YVBDQZABAODUBE-ISKFKSNPSA-N 1 0 399.538 3.972 20 30 GHEDRO COC(=O)C1(c2ccc(Br)cc2)CCC([NH2+]CCCS)CC1 ZINC001172143440 905350365 /nfs/dbraw/zinc/35/03/65/905350365.db2.gz IVCYOIUAECZGQM-UHFFFAOYSA-N 1 0 386.355 3.712 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCc3ccccc3OC1)CCCC2 ZINC000801576375 921145724 /nfs/dbraw/zinc/14/57/24/921145724.db2.gz ZQHBGHAUMIJKKN-MRXNPFEDSA-N 1 0 395.528 3.811 20 30 GHEDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H](C)Cc4ccc(C#N)cc4)C3)CC2=O)s1 ZINC001172307798 905465727 /nfs/dbraw/zinc/46/57/27/905465727.db2.gz JMOSNZBUVWAGPN-KSFYIVLOSA-N 1 0 379.529 3.988 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172310189 905467113 /nfs/dbraw/zinc/46/71/13/905467113.db2.gz BOSDMPXSQFKJIR-WZONZLPQSA-N 1 0 399.535 3.591 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172309644 905467650 /nfs/dbraw/zinc/46/76/50/905467650.db2.gz VERRENNWYCJQMI-LJQANCHMSA-N 1 0 381.520 3.990 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 ZINC001172290102 905480701 /nfs/dbraw/zinc/48/07/01/905480701.db2.gz MESBYVXSVOTYII-KKSFZXQISA-N 1 0 375.488 3.818 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(c2ncnc3ccccc32)CC1 ZINC001172298673 905483938 /nfs/dbraw/zinc/48/39/38/905483938.db2.gz FIJCINFKBULBDE-GOSISDBHSA-N 1 0 385.515 3.939 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001172299100 905484536 /nfs/dbraw/zinc/48/45/36/905484536.db2.gz JEACHBHFWRDIOO-GRFCFPJTSA-N 1 0 387.483 3.931 20 30 GHEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001172351020 905517559 /nfs/dbraw/zinc/51/75/59/905517559.db2.gz QSLVRIWBZPCKAS-SFHVURJKSA-N 1 0 381.586 3.963 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001172358223 905526968 /nfs/dbraw/zinc/52/69/68/905526968.db2.gz OFBVAKDDJSLNHM-UAFMIMERSA-N 1 0 388.556 3.749 20 30 GHEDRO CCCCCCCC[C@@H](CC)N(Cc1ncn2c1C[NH2+]CCC2)S(C)(=O)=O ZINC001172505284 905601753 /nfs/dbraw/zinc/60/17/53/905601753.db2.gz LMTXVECLIBEVME-GOSISDBHSA-N 1 0 398.617 3.667 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)CC2)C1=O ZINC001172543907 905649600 /nfs/dbraw/zinc/64/96/00/905649600.db2.gz PJDCMLXYRXHJLS-YADHBBJMSA-N 1 0 381.564 3.507 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2 ZINC001172748870 905787129 /nfs/dbraw/zinc/78/71/29/905787129.db2.gz HDKYCGBETHJJOG-GOSISDBHSA-N 1 0 380.529 3.607 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000176325338 905820152 /nfs/dbraw/zinc/82/01/52/905820152.db2.gz NRQLSHUGBISGHM-UHFFFAOYSA-N 1 0 389.500 3.572 20 30 GHEDRO CCOC[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000176350495 905826154 /nfs/dbraw/zinc/82/61/54/905826154.db2.gz AXMYJHNFBPZSSI-HNNXBMFYSA-N 1 0 375.538 3.576 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCC[C@H](C(=O)OC)CC3)C2)CC1 ZINC001172785335 905826006 /nfs/dbraw/zinc/82/60/06/905826006.db2.gz ZAFKKBAZASSXGY-OALUTQOASA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1OC ZINC000628144197 905985444 /nfs/dbraw/zinc/98/54/44/905985444.db2.gz SPYDMZFMQJPTKL-OAHLLOKOSA-N 1 0 377.872 3.984 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C[C@H]1C#N ZINC001172966096 906027506 /nfs/dbraw/zinc/02/75/06/906027506.db2.gz MDRDIVIGEURNPC-ZOBUZTSGSA-N 1 0 375.444 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H]1C#N ZINC001172970884 906032713 /nfs/dbraw/zinc/03/27/13/906032713.db2.gz JKTFIVOQGRIIAP-QUCCMNQESA-N 1 0 384.524 3.668 20 30 GHEDRO N#Cc1csc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC001173014447 906092088 /nfs/dbraw/zinc/09/20/88/906092088.db2.gz REBKHPWRYYJLPH-UHFFFAOYSA-N 1 0 378.404 3.565 20 30 GHEDRO CC[NH+](CC)CCn1cc(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)cn1 ZINC001203253683 906187633 /nfs/dbraw/zinc/18/76/33/906187633.db2.gz OBEDPHTZBMOMHS-UHFFFAOYSA-N 1 0 383.887 3.679 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CCc4ncsc4C3)C[C@@H]2c2ccccc2)C1=O ZINC001173131015 906212620 /nfs/dbraw/zinc/21/26/20/906212620.db2.gz FDXWAYMSKWEYIZ-PWHSHALESA-N 1 0 393.556 3.505 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(Cl)c(C#N)c2)c1F ZINC001173180714 906260112 /nfs/dbraw/zinc/26/01/12/906260112.db2.gz SMCRTXQFABDYAU-LLVKDONJSA-N 1 0 377.803 3.988 20 30 GHEDRO C=CCOC1CCC(N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001173321989 906370682 /nfs/dbraw/zinc/37/06/82/906370682.db2.gz WRXKIQVNCWGNHX-HCGOJEOKSA-N 1 0 398.595 3.572 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](C1CCC(OCC=C)CC1)CC2 ZINC001173324816 906372240 /nfs/dbraw/zinc/37/22/40/906372240.db2.gz VBOCLUWMENBDSQ-UHFFFAOYSA-N 1 0 385.552 3.868 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001173323981 906372414 /nfs/dbraw/zinc/37/24/14/906372414.db2.gz KKHFKRXIPZAYDM-QORUQQEXSA-N 1 0 386.536 3.845 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001173326149 906373893 /nfs/dbraw/zinc/37/38/93/906373893.db2.gz WBHZWRJHAQAWFF-GPANFISMSA-N 1 0 385.430 3.852 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@H](C[NH2+]C3CCC(CC#N)CC3)O2)CC1 ZINC001173325579 906374057 /nfs/dbraw/zinc/37/40/57/906374057.db2.gz KUSJEKPITXYEPK-DAWZGUTISA-N 1 0 377.529 3.607 20 30 GHEDRO COCC[N@H+](C1CCC(CC#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001173338098 906380346 /nfs/dbraw/zinc/38/03/46/906380346.db2.gz XIDAHEKTIJRHAQ-UHFFFAOYSA-N 1 0 379.545 3.807 20 30 GHEDRO C=CCOC1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC001173317062 906388737 /nfs/dbraw/zinc/38/87/37/906388737.db2.gz RSAMECGOPNJPLC-UHFFFAOYSA-N 1 0 382.298 3.839 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)CC1 ZINC001173319930 906389436 /nfs/dbraw/zinc/38/94/36/906389436.db2.gz BFZCEGPTGKIJAB-DSKNIHGZSA-N 1 0 386.536 3.591 20 30 GHEDRO N#CC[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001173394657 906421417 /nfs/dbraw/zinc/42/14/17/906421417.db2.gz AKDNMOASRVFRRE-OAHLLOKOSA-N 1 0 390.325 3.679 20 30 GHEDRO CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173423836 906459913 /nfs/dbraw/zinc/45/99/13/906459913.db2.gz OHJHFLGIALGYRB-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](c3ccc(Cl)cn3)C3CC3)CC2)cc1 ZINC001173428400 906465116 /nfs/dbraw/zinc/46/51/16/906465116.db2.gz IOAHAYRJYGLMRM-OAQYLSRUSA-N 1 0 394.906 3.952 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000180043724 906673846 /nfs/dbraw/zinc/67/38/46/906673846.db2.gz UUSFOJBRICIIMG-SFHVURJKSA-N 1 0 392.503 3.806 20 30 GHEDRO N#Cc1cc(C[NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cs1 ZINC001173773459 906698617 /nfs/dbraw/zinc/69/86/17/906698617.db2.gz NUNIGYUBCJLGED-UHFFFAOYSA-N 1 0 377.872 3.807 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1F ZINC001173777514 906703847 /nfs/dbraw/zinc/70/38/47/906703847.db2.gz KHHNNGNPRPSSCW-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO CC(C)[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1 ZINC000180177024 906707518 /nfs/dbraw/zinc/70/75/18/906707518.db2.gz WXXFUWLZGLRFCY-QCPHZMBFSA-N 1 0 382.291 3.807 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)CC1 ZINC000180347725 906751901 /nfs/dbraw/zinc/75/19/01/906751901.db2.gz ZECKTGYVLOFCMB-UHFFFAOYSA-N 1 0 395.551 3.596 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)CC1 ZINC000180429427 906768380 /nfs/dbraw/zinc/76/83/80/906768380.db2.gz MELNPPDVFAVWPK-UHFFFAOYSA-N 1 0 384.430 3.619 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180536406 906789267 /nfs/dbraw/zinc/78/92/67/906789267.db2.gz NBKQTOUOAAMGBR-MRXNPFEDSA-N 1 0 385.533 3.589 20 30 GHEDRO CN(Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)[C@@H](C[NH3+])C(F)(F)F ZINC000629545705 906862261 /nfs/dbraw/zinc/86/22/61/906862261.db2.gz ITBNYXUXAMKFSM-LBPRGKRZSA-N 1 0 385.283 3.821 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000299267872 921274131 /nfs/dbraw/zinc/27/41/31/921274131.db2.gz YMXUYYPUHBPQLI-LJQANCHMSA-N 1 0 378.476 3.547 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000180962007 906882579 /nfs/dbraw/zinc/88/25/79/906882579.db2.gz CMCUHXQTFPSBEE-LLVKDONJSA-N 1 0 383.395 3.850 20 30 GHEDRO C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cccc(F)c1Br)CC2 ZINC001276008346 921274849 /nfs/dbraw/zinc/27/48/49/921274849.db2.gz PYYHBXONIRVLKH-OAHLLOKOSA-N 1 0 395.316 3.883 20 30 GHEDRO [NH3+]C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629656452 906932856 /nfs/dbraw/zinc/93/28/56/906932856.db2.gz OTCHMFNOIQENQL-VXGBXAGGSA-N 1 0 388.327 3.726 20 30 GHEDRO C[C@@H](O)C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181896929 907098171 /nfs/dbraw/zinc/09/81/71/907098171.db2.gz LAWDEMXRJSLWHR-AUSIDOKSSA-N 1 0 377.532 3.667 20 30 GHEDRO COc1cccc(C2([NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCC2)c1 ZINC001174828243 907225158 /nfs/dbraw/zinc/22/51/58/907225158.db2.gz WXSRCHGMLDNPDX-OAQYLSRUSA-N 1 0 375.472 3.731 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182560918 907229866 /nfs/dbraw/zinc/22/98/66/907229866.db2.gz ZDCSMSXORCTYCV-QZTJIDSGSA-N 1 0 392.503 3.598 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000773418529 907271178 /nfs/dbraw/zinc/27/11/78/907271178.db2.gz SRCVAGXQCHUHDZ-QFIPXVFZSA-N 1 0 378.472 3.913 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191839965 907273591 /nfs/dbraw/zinc/27/35/91/907273591.db2.gz MGQBUKLBWWKNJP-DNVCBOLYSA-N 1 0 394.357 3.547 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182935379 907294860 /nfs/dbraw/zinc/29/48/60/907294860.db2.gz ULADATIJJUFGRD-GHTZIAJQSA-N 1 0 380.536 3.909 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000184308377 907557204 /nfs/dbraw/zinc/55/72/04/907557204.db2.gz HXMISCWQOQYMJP-GOSISDBHSA-N 1 0 380.492 3.882 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000184339346 907565589 /nfs/dbraw/zinc/56/55/89/907565589.db2.gz TXDQRDQHLZKDHJ-KRWDZBQOSA-N 1 0 378.476 3.547 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192356632 907605909 /nfs/dbraw/zinc/60/59/09/907605909.db2.gz WRFMZAORGOOXBT-APWZRJJASA-N 1 0 393.487 3.703 20 30 GHEDRO COc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1OCCCC#N ZINC000185696178 907816362 /nfs/dbraw/zinc/81/63/62/907816362.db2.gz HBOKGQKXRMLYCK-UHFFFAOYSA-N 1 0 395.503 3.693 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000185835522 907841779 /nfs/dbraw/zinc/84/17/79/907841779.db2.gz HCXYYJDYUHEZBK-HXUWFJFHSA-N 1 0 395.494 3.724 20 30 GHEDRO CCOC(=O)Nc1ccc(NCc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000779598436 907853667 /nfs/dbraw/zinc/85/36/67/907853667.db2.gz ADVWDHYWYHARLO-UHFFFAOYSA-N 1 0 382.464 3.679 20 30 GHEDRO Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186224607 907892816 /nfs/dbraw/zinc/89/28/16/907892816.db2.gz OZHGPIMKBLIKBQ-UHFFFAOYSA-N 1 0 390.487 3.693 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001176217294 907991452 /nfs/dbraw/zinc/99/14/52/907991452.db2.gz GDUWWTDFXJVYBG-BEFAXECRSA-N 1 0 381.451 3.747 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(CO)c1 ZINC000186970163 908013073 /nfs/dbraw/zinc/01/30/73/908013073.db2.gz LVIUTLMGVIBTMJ-UHFFFAOYSA-O 1 0 397.564 3.672 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=S)NC(C)C ZINC000193075344 908070866 /nfs/dbraw/zinc/07/08/66/908070866.db2.gz RGWDFAFTBAMUQX-UHFFFAOYSA-O 1 0 386.497 3.690 20 30 GHEDRO CCCCCCCC[N@@H+]1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001176497255 908140175 /nfs/dbraw/zinc/14/01/75/908140175.db2.gz VPDOQXOWPCVDKB-QGZVFWFLSA-N 1 0 382.545 3.689 20 30 GHEDRO CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC001176782715 908247200 /nfs/dbraw/zinc/24/72/00/908247200.db2.gz MVHUYCALGPQGRL-ZWKOTPCHSA-N 1 0 398.551 3.621 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC001176814192 908264696 /nfs/dbraw/zinc/26/46/96/908264696.db2.gz LKYWYQZTKMZOOT-AVRDEDQJSA-N 1 0 385.508 3.706 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001176849502 908292555 /nfs/dbraw/zinc/29/25/55/908292555.db2.gz OEKYZKVXXSNNDU-YHHIVYBXSA-N 1 0 385.556 3.653 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)C1 ZINC001176932995 908306469 /nfs/dbraw/zinc/30/64/69/908306469.db2.gz UFWUZHRZUDFMSO-XMSQKQJNSA-N 1 0 391.556 3.687 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001177039043 908376061 /nfs/dbraw/zinc/37/60/61/908376061.db2.gz QOZGPKXCESPROC-HXUWFJFHSA-N 1 0 399.535 3.718 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC4(CCC4)Oc4ccccc43)C2=O)cc1 ZINC000190602994 908507247 /nfs/dbraw/zinc/50/72/47/908507247.db2.gz KGFBGAPWKWJKRF-SFTDATJTSA-N 1 0 387.483 3.695 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000190623784 908510179 /nfs/dbraw/zinc/51/01/79/908510179.db2.gz XSQIZQAKRNLZDE-KSSFIOAISA-N 1 0 385.414 3.611 20 30 GHEDRO C=CCc1cc(C[NH2+]CCCN(CC)C(=O)OC(C)(C)C)cc(OC)c1O ZINC001177719156 908705382 /nfs/dbraw/zinc/70/53/82/908705382.db2.gz UMLKDEKKINXMOC-UHFFFAOYSA-N 1 0 378.513 3.866 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000192136464 908728278 /nfs/dbraw/zinc/72/82/78/908728278.db2.gz NWVWLZHWDSAABH-IPHXSNPTSA-N 1 0 399.441 3.720 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192139887 908728408 /nfs/dbraw/zinc/72/84/08/908728408.db2.gz DDUCHEQIJRQCKK-AEFFLSMTSA-N 1 0 391.443 3.573 20 30 GHEDRO CC(C)c1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccccc1 ZINC000192334253 908764045 /nfs/dbraw/zinc/76/40/45/908764045.db2.gz XOAWVRQDJFFXEI-UHFFFAOYSA-N 1 0 382.512 3.695 20 30 GHEDRO COCCOC[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193059886 908848600 /nfs/dbraw/zinc/84/86/00/908848600.db2.gz XRJCCPKZPQJPPQ-OAQYLSRUSA-N 1 0 378.516 3.871 20 30 GHEDRO COc1cccc(CN(C(=O)C#Cc2ccc(F)cc2F)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001178574563 909129419 /nfs/dbraw/zinc/12/94/19/909129419.db2.gz RTCMQZIWAGXIGJ-MXVIHJGJSA-N 1 0 398.453 3.624 20 30 GHEDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1 ZINC000266447472 909167803 /nfs/dbraw/zinc/16/78/03/909167803.db2.gz ILEFZRDENNEFCI-IAGOWNOFSA-N 1 0 381.476 3.690 20 30 GHEDRO N#Cc1ccc(OC2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000266508537 909200747 /nfs/dbraw/zinc/20/07/47/909200747.db2.gz CORKYRMXFIUZQC-UHFFFAOYSA-N 1 0 385.427 3.523 20 30 GHEDRO N#CCSCCC[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000266733093 909279200 /nfs/dbraw/zinc/27/92/00/909279200.db2.gz OHGWTTPIPLBDQP-UHFFFAOYSA-N 1 0 383.517 3.821 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CNc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001179086192 909379702 /nfs/dbraw/zinc/37/97/02/909379702.db2.gz ONDIOHQSQBCQRX-UHFFFAOYSA-N 1 0 392.547 3.804 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CN(Cc3ccc(C)cc3)CCO2)cc1OC ZINC001179381978 909514607 /nfs/dbraw/zinc/51/46/07/909514607.db2.gz IVSDADHOJJFFCK-QFIPXVFZSA-N 1 0 396.531 3.559 20 30 GHEDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC001179407245 909527851 /nfs/dbraw/zinc/52/78/51/909527851.db2.gz XHBRVLCYWDNMAA-QHCPKHFHSA-N 1 0 385.515 3.631 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC001179559309 909594572 /nfs/dbraw/zinc/59/45/72/909594572.db2.gz DWZVNNYMJSVLFF-OCCSQVGLSA-N 1 0 377.204 3.910 20 30 GHEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)C1CCN(c2ccccc2C#N)CC1 ZINC001180505823 910217333 /nfs/dbraw/zinc/21/73/33/910217333.db2.gz FXAXRYJQYLDWEV-OAQYLSRUSA-N 1 0 388.515 3.910 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000299664598 921562118 /nfs/dbraw/zinc/56/21/18/921562118.db2.gz LWQMNRDTJAGDOD-LBPRGKRZSA-N 1 0 384.461 3.696 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CC1 ZINC000270304057 910511002 /nfs/dbraw/zinc/51/10/02/910511002.db2.gz FGPGABNKZPMFJT-UHFFFAOYSA-N 1 0 376.504 3.783 20 30 GHEDRO Cc1nc(C#N)c(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)o1 ZINC001181340686 910696614 /nfs/dbraw/zinc/69/66/14/910696614.db2.gz CZAHYLRTKYYMJU-LSDHHAIUSA-N 1 0 388.418 3.586 20 30 GHEDRO Cc1noc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)c1C#N ZINC001181342462 910698510 /nfs/dbraw/zinc/69/85/10/910698510.db2.gz FUROYEZUQWPKEL-JKSUJKDBSA-N 1 0 388.418 3.586 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCS(=O)(=O)c2ccccc2)CC1 ZINC000271066713 910773555 /nfs/dbraw/zinc/77/35/55/910773555.db2.gz JFXMBLLFTCVFLX-UHFFFAOYSA-N 1 0 382.529 3.844 20 30 GHEDRO C#CCCCCCCCCC(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001182186533 911231423 /nfs/dbraw/zinc/23/14/23/911231423.db2.gz OBHISVISPGSCTF-UHFFFAOYSA-N 1 0 381.520 3.597 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(OCc2ccccc2F)CC1 ZINC000091869032 911307221 /nfs/dbraw/zinc/30/72/21/911307221.db2.gz AAUHLDVJNJJEBG-MRXNPFEDSA-N 1 0 381.451 3.706 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC2(C)CC2)cc1 ZINC000284003831 911719078 /nfs/dbraw/zinc/71/90/78/911719078.db2.gz HKGNYXPNPRUXIT-UHFFFAOYSA-O 1 0 384.481 3.526 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]CCCOc3ccc(C#N)cc3)CCN2C2CC2)c1 ZINC000801959471 921688083 /nfs/dbraw/zinc/68/80/83/921688083.db2.gz QYJKQEBJESNRIK-RPWUZVMVSA-N 1 0 391.515 3.903 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CCCOc3ccc(C#N)cc3)CCN2C2CC2)c1 ZINC000801959470 921688434 /nfs/dbraw/zinc/68/84/34/921688434.db2.gz QYJKQEBJESNRIK-DNQXCXABSA-N 1 0 391.515 3.903 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000774483886 911790657 /nfs/dbraw/zinc/79/06/57/911790657.db2.gz QIJXRRUCKVMIOM-SJORKVTESA-N 1 0 382.483 3.878 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000092784365 911805716 /nfs/dbraw/zinc/80/57/16/911805716.db2.gz NHNXPROLBINXHK-HSZRJFAPSA-N 1 0 390.531 3.821 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c21 ZINC001182585653 911891353 /nfs/dbraw/zinc/89/13/53/911891353.db2.gz GXNSJTWMBAEPEK-DKUWSORSSA-N 1 0 398.510 3.894 20 30 GHEDRO C[C@@H](C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC001182800384 912031193 /nfs/dbraw/zinc/03/11/93/912031193.db2.gz RLRZRIQZAIMOLJ-MRXNPFEDSA-N 1 0 381.907 3.878 20 30 GHEDRO CC#CCCCCCCCC(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001182768739 912037395 /nfs/dbraw/zinc/03/73/95/912037395.db2.gz KMBCHBRKTUDZON-UHFFFAOYSA-N 1 0 381.520 3.597 20 30 GHEDRO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000093078610 912048408 /nfs/dbraw/zinc/04/84/08/912048408.db2.gz WCIMGDUQTANTDL-OALUTQOASA-N 1 0 379.504 3.865 20 30 GHEDRO CCCCN1CC[C@@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014931 912148337 /nfs/dbraw/zinc/14/83/37/912148337.db2.gz QITKOEXUEVNZMI-IBGZPJMESA-N 1 0 394.972 3.860 20 30 GHEDRO CC(C)CN1CC[C@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014661 912148713 /nfs/dbraw/zinc/14/87/13/912148713.db2.gz AAECPLORAQRJMM-LJQANCHMSA-N 1 0 394.972 3.716 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(c1cc(C(F)(F)F)cc(C#N)n1)Cc1ccccc12 ZINC001187191059 915083112 /nfs/dbraw/zinc/08/31/12/915083112.db2.gz YFYAESHHVZJBKG-UHFFFAOYSA-N 1 0 386.421 3.956 20 30 GHEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000303782183 915125865 /nfs/dbraw/zinc/12/58/65/915125865.db2.gz MUWSXDNJTDWMRO-LJQANCHMSA-N 1 0 382.508 3.658 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1C ZINC000303871103 915229358 /nfs/dbraw/zinc/22/93/58/915229358.db2.gz FRYAPCMDQLBRQD-CQSZACIVSA-N 1 0 382.291 3.777 20 30 GHEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2OC)c1 ZINC000303890021 915288832 /nfs/dbraw/zinc/28/88/32/915288832.db2.gz RTEDTVYPBSEWCO-LJQANCHMSA-N 1 0 382.460 3.800 20 30 GHEDRO Cc1cccc(NC(=[NH2+])NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)c1 ZINC000303882733 915294970 /nfs/dbraw/zinc/29/49/70/915294970.db2.gz IJIWTIDTNHFPMA-UHFFFAOYSA-N 1 0 397.523 3.944 20 30 GHEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000303897349 915302116 /nfs/dbraw/zinc/30/21/16/915302116.db2.gz UYDAXIRJEFQXJJ-QGZVFWFLSA-N 1 0 389.540 3.583 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000303902664 915304845 /nfs/dbraw/zinc/30/48/45/915304845.db2.gz XZBJQSFZPGXSTC-UHFFFAOYSA-N 1 0 396.535 3.609 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000796383711 915350863 /nfs/dbraw/zinc/35/08/63/915350863.db2.gz WLAVOOUSJLFQPJ-KRWDZBQOSA-N 1 0 378.513 3.797 20 30 GHEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000304467498 915516552 /nfs/dbraw/zinc/51/65/52/915516552.db2.gz CAIVMQXTWXKPPG-UHFFFAOYSA-N 1 0 395.484 3.809 20 30 GHEDRO Cc1cccc(OC[C@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304483070 915524753 /nfs/dbraw/zinc/52/47/53/915524753.db2.gz JBUYMMZTSZSCRM-LJQANCHMSA-N 1 0 391.471 3.954 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)NC2CCC2)cc1 ZINC000292240666 915576715 /nfs/dbraw/zinc/57/67/15/915576715.db2.gz CFPUFVLUQMIBDW-UHFFFAOYSA-O 1 0 385.557 3.692 20 30 GHEDRO CN(C)C(=O)C1(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CCCC1 ZINC000304753819 915670718 /nfs/dbraw/zinc/67/07/18/915670718.db2.gz LKGMAFLUKXAJGR-UHFFFAOYSA-N 1 0 380.492 3.854 20 30 GHEDRO COc1cccc(NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000304757683 915674273 /nfs/dbraw/zinc/67/42/73/915674273.db2.gz PCHAYUBFPWMGQE-SFHVURJKSA-N 1 0 384.480 3.688 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000304762171 915700474 /nfs/dbraw/zinc/70/04/74/915700474.db2.gz VJJBZDGOCLIOQI-SFHVURJKSA-N 1 0 384.480 3.688 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2csc(CCc3ccccc3)n2)cc1OC ZINC000304806472 915722439 /nfs/dbraw/zinc/72/24/39/915722439.db2.gz DWLDQFCGUHUPEN-UHFFFAOYSA-N 1 0 396.516 3.872 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1OCCCC#N ZINC000292932017 915909518 /nfs/dbraw/zinc/90/95/18/915909518.db2.gz JBBONDCIVJHMSX-UHFFFAOYSA-N 1 0 395.503 3.504 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1(CO)CCC1 ZINC000292960966 915921946 /nfs/dbraw/zinc/92/19/46/915921946.db2.gz FSAWBNSHPPNHMS-UZLBHIALSA-N 1 0 389.565 3.796 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000775164397 915990754 /nfs/dbraw/zinc/99/07/54/915990754.db2.gz XTIPYQLJMWNFMX-RKDXNWHRSA-N 1 0 383.320 3.932 20 30 GHEDRO N#CCc1cccc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001188675794 916101746 /nfs/dbraw/zinc/10/17/46/916101746.db2.gz LDTGFHCJBFGSMH-WBADGQHESA-N 1 0 375.516 3.788 20 30 GHEDRO N#CCSCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000360491356 916159887 /nfs/dbraw/zinc/15/98/87/916159887.db2.gz XJKJSGVXBASGFH-UHFFFAOYSA-N 1 0 396.354 3.746 20 30 GHEDRO COc1ccc(OC)c(CCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000305700111 916244861 /nfs/dbraw/zinc/24/48/61/916244861.db2.gz PGJFDNDPNJCLNR-UHFFFAOYSA-N 1 0 397.397 3.962 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)C1 ZINC000293559172 916266445 /nfs/dbraw/zinc/26/64/45/916266445.db2.gz LZPAGVXLHXZQIE-CJNGLKHVSA-N 1 0 381.289 3.962 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)ccc3F)CC2)C1=O ZINC001275715093 916314069 /nfs/dbraw/zinc/31/40/69/916314069.db2.gz LXRCWOORJBOSNW-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO Cc1nn(C)c(C)c1CCCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000305771460 916369520 /nfs/dbraw/zinc/36/95/20/916369520.db2.gz KLGFXNAXEWNWGY-NSHDSACASA-N 1 0 382.339 3.942 20 30 GHEDRO [NH2+]=C(NCCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)CCC2 ZINC000305801905 916442569 /nfs/dbraw/zinc/44/25/69/916442569.db2.gz DQDXXZYHNXQZRR-UHFFFAOYSA-N 1 0 379.439 3.724 20 30 GHEDRO C#Cc1cccc(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000775295030 916841298 /nfs/dbraw/zinc/84/12/98/916841298.db2.gz WBWUOZNTTRAINS-UHFFFAOYSA-N 1 0 377.488 3.507 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccc(OCC#N)cc1 ZINC000775336523 917006064 /nfs/dbraw/zinc/00/60/64/917006064.db2.gz KSLKSTOTBOXIBE-UGSOOPFHSA-N 1 0 375.266 3.736 20 30 GHEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775356819 917143258 /nfs/dbraw/zinc/14/32/58/917143258.db2.gz SXCYOLHHBNBKMH-KRWDZBQOSA-N 1 0 397.494 3.778 20 30 GHEDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000295281674 917248578 /nfs/dbraw/zinc/24/85/78/917248578.db2.gz BKKMJMUSLIQKKK-AWEZNQCLSA-N 1 0 385.537 3.784 20 30 GHEDRO N#Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC001190589579 917434063 /nfs/dbraw/zinc/43/40/63/917434063.db2.gz DJUHZTHXDPRGLR-QHCPKHFHSA-N 1 0 396.494 3.870 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1ccccc1 ZINC000775398819 917437206 /nfs/dbraw/zinc/43/72/06/917437206.db2.gz MFAAGPSDNIEZGY-QGZVFWFLSA-N 1 0 391.334 3.823 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccccc1 ZINC000775400181 917442746 /nfs/dbraw/zinc/44/27/46/917442746.db2.gz XFSAMYHDJVQFAG-HNNXBMFYSA-N 1 0 386.377 3.874 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)c1ccccc1 ZINC000775398289 917442896 /nfs/dbraw/zinc/44/28/96/917442896.db2.gz FSKNFWREJCKDGP-PXNSSMCTSA-N 1 0 380.488 3.625 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295970976 917679180 /nfs/dbraw/zinc/67/91/80/917679180.db2.gz NVBMGMGXSAEQIW-JBACZVJFSA-N 1 0 395.551 3.805 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)NCCCP(CCC[NH3+])c2ccccc2)c1 ZINC001190956843 917695360 /nfs/dbraw/zinc/69/53/60/917695360.db2.gz LSNXIGJKFSISLE-UHFFFAOYSA-N 1 0 395.487 3.764 20 30 GHEDRO CCCCCCCCNC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001191054963 917727315 /nfs/dbraw/zinc/72/73/15/917727315.db2.gz FQCFJOBHGAVVCE-LJQANCHMSA-N 1 0 395.588 3.796 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC001191429147 917998814 /nfs/dbraw/zinc/99/88/14/917998814.db2.gz ZMRHBQNHZBIAIL-ITGJCUMNSA-N 1 0 396.579 3.907 20 30 GHEDRO Cc1cc(N2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)c2ccccc2[nH+]1 ZINC001191906894 918265488 /nfs/dbraw/zinc/26/54/88/918265488.db2.gz GLWAKBKJZLBNTR-UHFFFAOYSA-N 1 0 392.409 3.656 20 30 GHEDRO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000796574759 918289764 /nfs/dbraw/zinc/28/97/64/918289764.db2.gz ZQYIZESDMYESRU-UXHICEINSA-N 1 0 391.556 3.810 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2cc(C)ccc2C)c1 ZINC001192182921 918531621 /nfs/dbraw/zinc/53/16/21/918531621.db2.gz CCCVLSJIFPBZGK-OAQYLSRUSA-N 1 0 375.472 3.770 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)CC1 ZINC000296800866 918760171 /nfs/dbraw/zinc/76/01/71/918760171.db2.gz CPUCBTUNIKXAKF-IIBYNOLFSA-N 1 0 384.524 3.610 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c(C#N)c1C ZINC000364308800 919328047 /nfs/dbraw/zinc/32/80/47/919328047.db2.gz VVOMYQMEIMVQQR-FQEVSTJZSA-N 1 0 383.517 3.933 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115350026 919447800 /nfs/dbraw/zinc/44/78/00/919447800.db2.gz RHFMVTIBKZBIFH-HXUWFJFHSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3Br)C2)C1=O ZINC001275958316 920230290 /nfs/dbraw/zinc/23/02/90/920230290.db2.gz SRGWHKYZBMHHCH-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO N#C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1cccc(Cl)c1Cl ZINC000900632019 920473112 /nfs/dbraw/zinc/47/31/12/920473112.db2.gz FBXYRCIGGWTYOS-KVULBXGLSA-N 1 0 396.318 3.565 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Br)c(C)c1)CC2 ZINC001275977272 920618002 /nfs/dbraw/zinc/61/80/02/920618002.db2.gz MEVGDBPDUTUMAW-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3Br)C2)C1=O ZINC001275977326 920619941 /nfs/dbraw/zinc/61/99/41/920619941.db2.gz MZJIDHLBDZJSBH-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO CC(C)[C@@H]1C[C@@H](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000367820800 922327717 /nfs/dbraw/zinc/32/77/17/922327717.db2.gz KYSNPCAYHGYNDA-SFTDATJTSA-N 1 0 383.536 3.502 20 30 GHEDRO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000902784277 922491096 /nfs/dbraw/zinc/49/10/96/922491096.db2.gz RWHXEOSPDVUPMU-UTKZUKDTSA-N 1 0 376.504 3.789 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cc(C#N)ccn1 ZINC000902785244 922494438 /nfs/dbraw/zinc/49/44/38/922494438.db2.gz CERUSAYJJHLGGH-QGZVFWFLSA-N 1 0 387.487 3.923 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000369084864 923098577 /nfs/dbraw/zinc/09/85/77/923098577.db2.gz OQTISCRVMZFLGP-SFHLNBCPSA-N 1 0 392.528 3.501 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000803856772 923318277 /nfs/dbraw/zinc/31/82/77/923318277.db2.gz AGZYRPJCWBMVJH-QGZVFWFLSA-N 1 0 381.476 3.545 20 30 GHEDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000369673137 923535586 /nfs/dbraw/zinc/53/55/86/923535586.db2.gz WIRLXCBIABWQLT-IBGZPJMESA-N 1 0 382.460 4.000 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000010237655 923977674 /nfs/dbraw/zinc/97/76/74/923977674.db2.gz YLCCRGMOIBGDAG-UHFFFAOYSA-N 1 0 396.922 3.925 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cnc4ccc(C)cn34)CC2)C1 ZINC001137303519 924405930 /nfs/dbraw/zinc/40/59/30/924405930.db2.gz AZILPTUQQPTDRR-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#CCSCCC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000371246954 924493593 /nfs/dbraw/zinc/49/35/93/924493593.db2.gz IXLUPPZBQNTNML-CYBMUJFWSA-N 1 0 383.443 3.574 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@H]3Cc4ccccc4N(C(=O)C(F)(F)F)C3)cc2)CC1 ZINC000827017950 924564906 /nfs/dbraw/zinc/56/49/06/924564906.db2.gz PFUDUCKHJMKWPV-SFHVURJKSA-N 1 0 399.416 3.852 20 30 GHEDRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000371500051 924614178 /nfs/dbraw/zinc/61/41/78/924614178.db2.gz KSNRCHABHKAIML-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO N#CC1(NC(=O)Cc2c[nH]c3cc(F)ccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000371541522 924649526 /nfs/dbraw/zinc/64/95/26/924649526.db2.gz BYLRGANUOYLHHO-UHFFFAOYSA-N 1 0 390.462 3.524 20 30 GHEDRO N#CC1(NC(=O)C23CC4CC(CC(C4)C2)C3)CC[NH+](Cc2ccccc2)CC1 ZINC000371544943 924652497 /nfs/dbraw/zinc/65/24/97/924652497.db2.gz SSSYLJSIPYZCIW-UHFFFAOYSA-N 1 0 377.532 3.877 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CCC(C)(c2nc(C)no2)CC1 ZINC000371570473 924682731 /nfs/dbraw/zinc/68/27/31/924682731.db2.gz NQFNBUDQCVNGNF-UHFFFAOYSA-N 1 0 386.521 3.648 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)n2)c1 ZINC000409681548 924882791 /nfs/dbraw/zinc/88/27/91/924882791.db2.gz ASUDRVYLRNAAMQ-NRFANRHFSA-N 1 0 391.519 3.518 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000409695052 924885992 /nfs/dbraw/zinc/88/59/92/924885992.db2.gz OYSWUNORTOWRGJ-SFHVURJKSA-N 1 0 399.498 3.699 20 30 GHEDRO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(SC(F)(F)F)cc1 ZINC001276065583 925087228 /nfs/dbraw/zinc/08/72/28/925087228.db2.gz OPTJUTFQDIXLMQ-SFHVURJKSA-N 1 0 382.451 3.889 20 30 GHEDRO Cc1cc(NC(=O)c2cccc(CC#N)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372085378 925136462 /nfs/dbraw/zinc/13/64/62/925136462.db2.gz HSXUAXNJCHAFRU-QFIPXVFZSA-N 1 0 399.498 3.957 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC[C@H]21 ZINC000827318459 925268568 /nfs/dbraw/zinc/26/85/68/925268568.db2.gz GYPMVTOQPWZMIH-OXQOHEQNSA-N 1 0 379.435 3.656 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000827750199 925945665 /nfs/dbraw/zinc/94/56/65/925945665.db2.gz AYLXMQOCUYKOLM-GMAHTHKFSA-N 1 0 391.515 3.863 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1C#N ZINC000133436063 926260411 /nfs/dbraw/zinc/26/04/11/926260411.db2.gz HHONYBDGTZNRRL-GFCCVEGCSA-N 1 0 393.413 3.584 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1)C(C)C ZINC000726054125 926540132 /nfs/dbraw/zinc/54/01/32/926540132.db2.gz LKCBMYVWQBVUMD-JTSKRJEESA-N 1 0 387.524 3.517 20 30 GHEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411686591 926641664 /nfs/dbraw/zinc/64/16/64/926641664.db2.gz DIWHIHMTMNBNLD-JOCHJYFZSA-N 1 0 390.531 3.777 20 30 GHEDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000411808422 926803715 /nfs/dbraw/zinc/80/37/15/926803715.db2.gz SKBLNNACYXITPQ-DLBZAZTESA-N 1 0 375.538 3.619 20 30 GHEDRO CC(=NNCc1ccc(Br)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000726741183 926826069 /nfs/dbraw/zinc/82/60/69/926826069.db2.gz LIFIQIVPCOMZJQ-UHFFFAOYSA-N 1 0 390.325 3.903 20 30 GHEDRO C[C@@H](NC(=O)[C@@H](C)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000374292344 926990721 /nfs/dbraw/zinc/99/07/21/926990721.db2.gz NDOHWUVKDJGXFK-IAGOWNOFSA-N 1 0 396.922 3.858 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000374322157 927018131 /nfs/dbraw/zinc/01/81/31/927018131.db2.gz BYTICPGVTQYJAS-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3Cl)CC2)C1=O ZINC001276191505 927035247 /nfs/dbraw/zinc/03/52/47/927035247.db2.gz KLGYTKUEVPKDTR-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000412081945 927078656 /nfs/dbraw/zinc/07/86/56/927078656.db2.gz WWNMFGPSOMWTCD-HNNXBMFYSA-N 1 0 391.537 3.782 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC([NH+]3CCCCC3)CC2)nc1-c1cccnc1 ZINC000749666827 927228104 /nfs/dbraw/zinc/22/81/04/927228104.db2.gz ZLWBHPPJJGYMKL-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO N#Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4csc(Cl)c4)C3)C2=O)c1 ZINC001276205488 927336869 /nfs/dbraw/zinc/33/68/69/927336869.db2.gz LLHRJFIUGNBBDX-HXUWFJFHSA-N 1 0 385.920 3.898 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc(OC)c1O ZINC000374783030 927515394 /nfs/dbraw/zinc/51/53/94/927515394.db2.gz QIAMPOBPSFKZFJ-HXUWFJFHSA-N 1 0 398.547 3.744 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]CCCC3(C#N)CCOCC3)CCN2C2CC2)c1 ZINC000374792901 927527977 /nfs/dbraw/zinc/52/79/77/927527977.db2.gz JZIHFFFPAJAQRI-YADHBBJMSA-N 1 0 383.536 3.663 20 30 GHEDRO C[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000374900771 927673885 /nfs/dbraw/zinc/67/38/85/927673885.db2.gz XCVDDSZALRBUMH-GOSISDBHSA-N 1 0 379.479 3.994 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000751093005 928026065 /nfs/dbraw/zinc/02/60/65/928026065.db2.gz OFNZCLOKMDCYJP-XVAXZDLZSA-N 1 0 398.551 3.964 20 30 GHEDRO N#Cc1cc(Br)cn(Cc2cccc(C[NH+]3CCCCC3)c2)c1=O ZINC000413005986 928095698 /nfs/dbraw/zinc/09/56/98/928095698.db2.gz XTLOEKLRASTESL-UHFFFAOYSA-N 1 0 386.293 3.517 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000413174918 928289556 /nfs/dbraw/zinc/28/95/56/928289556.db2.gz JCLMRZSNJPLKHR-NRFANRHFSA-N 1 0 391.515 3.793 20 30 GHEDRO COc1cc(Cl)c(F)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000413183608 928299035 /nfs/dbraw/zinc/29/90/35/928299035.db2.gz VUOPXGZWIMCIBV-UHFFFAOYSA-N 1 0 389.858 3.563 20 30 GHEDRO CC(C)[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000375535004 928408816 /nfs/dbraw/zinc/40/88/16/928408816.db2.gz XVHWPPTWRWYPOA-OAQYLSRUSA-N 1 0 391.475 3.756 20 30 GHEDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)C1(C)C ZINC000751940212 928497357 /nfs/dbraw/zinc/49/73/57/928497357.db2.gz AFYPDMDYMLFLTL-WOJBJXKFSA-N 1 0 381.524 3.998 20 30 GHEDRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000752071490 928583529 /nfs/dbraw/zinc/58/35/29/928583529.db2.gz FEECGFNPHZZRRC-DZGCQCFKSA-N 1 0 395.450 3.895 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000752355654 928790968 /nfs/dbraw/zinc/79/09/68/928790968.db2.gz QLUGFBIWDLNUMD-HNNXBMFYSA-N 1 0 388.393 3.888 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000752361351 928794611 /nfs/dbraw/zinc/79/46/11/928794611.db2.gz WODUXSBGCXDDDD-ATZDWAIDSA-N 1 0 378.501 3.584 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000752522564 928864419 /nfs/dbraw/zinc/86/44/19/928864419.db2.gz QDZLMZNUYXAETE-INIZCTEOSA-N 1 0 385.895 3.996 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000467295728 928927940 /nfs/dbraw/zinc/92/79/40/928927940.db2.gz TZCGBZDBHUHNAI-UHFFFAOYSA-N 1 0 375.494 3.536 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000752676061 928971402 /nfs/dbraw/zinc/97/14/02/928971402.db2.gz AUEROXTWXLCOHI-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1C#N ZINC000752756904 929008003 /nfs/dbraw/zinc/00/80/03/929008003.db2.gz XYKJNXAKCCLZON-HNNXBMFYSA-N 1 0 387.484 3.513 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000753099036 929205492 /nfs/dbraw/zinc/20/54/92/929205492.db2.gz RIIFPHMHAWJJCQ-XPWALMASSA-N 1 0 391.515 3.697 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCc1ccccc1Br ZINC001276281102 929263317 /nfs/dbraw/zinc/26/33/17/929263317.db2.gz WRVAJZUCQQFLFW-QZTJIDSGSA-N 1 0 377.326 3.633 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000467712672 929328035 /nfs/dbraw/zinc/32/80/35/929328035.db2.gz DSUFVCLICFWOSM-VLIAUNLRSA-N 1 0 379.435 3.702 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000753940169 929603355 /nfs/dbraw/zinc/60/33/55/929603355.db2.gz MXOTWHWOEBNFAM-YADHBBJMSA-N 1 0 394.519 3.820 20 30 GHEDRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000469293898 929768117 /nfs/dbraw/zinc/76/81/17/929768117.db2.gz WJQLKWDEHNUKAR-QGZVFWFLSA-N 1 0 375.394 3.671 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000469353588 929812876 /nfs/dbraw/zinc/81/28/76/929812876.db2.gz FIONKJMGSLRSCH-LJQANCHMSA-N 1 0 382.460 3.898 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000469444260 929896526 /nfs/dbraw/zinc/89/65/26/929896526.db2.gz IRZKUYFFICAZKV-IBGZPJMESA-N 1 0 384.426 3.756 20 30 GHEDRO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2Cn2cccc(C#N)c2=O)c1 ZINC000758250778 929988180 /nfs/dbraw/zinc/98/81/80/929988180.db2.gz WLZUKEKKKDFHAD-GOTSBHOMSA-N 1 0 385.467 3.917 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H]1C ZINC000469863658 930215189 /nfs/dbraw/zinc/21/51/89/930215189.db2.gz PODZHPDYORNGFP-OXQOHEQNSA-N 1 0 394.471 3.529 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccccc1CC ZINC000759052605 930258106 /nfs/dbraw/zinc/25/81/06/930258106.db2.gz SRLNTERFEFWRTR-UHFFFAOYSA-O 1 0 377.533 3.849 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000759057269 930259853 /nfs/dbraw/zinc/25/98/53/930259853.db2.gz AJHMMKDJVUMUSE-UHFFFAOYSA-O 1 0 396.492 3.614 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)CC1 ZINC000759148966 930289793 /nfs/dbraw/zinc/28/97/93/930289793.db2.gz XPZQNVQKNRGKHW-UHFFFAOYSA-N 1 0 395.528 3.526 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)NCc1ccc(C#N)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000780535441 930543808 /nfs/dbraw/zinc/54/38/08/930543808.db2.gz DLIGJVOSVNVHHI-UTKZUKDTSA-N 1 0 379.508 3.518 20 30 GHEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000547016842 930616188 /nfs/dbraw/zinc/61/61/88/930616188.db2.gz RPDXVFALXRJWHA-DHIUTWEWSA-N 1 0 379.504 3.703 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC000547128486 930721333 /nfs/dbraw/zinc/72/13/33/930721333.db2.gz DVIOROBRPYZPPH-MRXNPFEDSA-N 1 0 389.459 3.500 20 30 GHEDRO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+]1CCCCC1 ZINC000470853140 930972526 /nfs/dbraw/zinc/97/25/26/930972526.db2.gz YBVPMPHNMCMMBW-QFIPXVFZSA-N 1 0 396.535 3.719 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C2CC2)O1 ZINC000470906162 931018863 /nfs/dbraw/zinc/01/88/63/931018863.db2.gz LMMSSDREYBIDST-RDTXWAMCSA-N 1 0 387.549 3.717 20 30 GHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000471005272 931090221 /nfs/dbraw/zinc/09/02/21/931090221.db2.gz GCFWJQWLBWABHX-VXKWHMMOSA-N 1 0 383.923 3.516 20 30 GHEDRO C=CCn1c2ccccc2n(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1=S ZINC000782900345 931361234 /nfs/dbraw/zinc/36/12/34/931361234.db2.gz XBCDQOIPGWHJPC-KRWDZBQOSA-N 1 0 386.565 3.501 20 30 GHEDRO C[NH+](C)C1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCC1 ZINC000782995801 931381549 /nfs/dbraw/zinc/38/15/49/931381549.db2.gz YKBHODNTMXNRHE-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CCN(C2CC2)CC1 ZINC000924591127 931434528 /nfs/dbraw/zinc/43/45/28/931434528.db2.gz GAEMLIFWTCYXDZ-KRWDZBQOSA-N 1 0 390.572 3.522 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2nnc3ccc(C(F)(F)F)cn32)c(O)c1 ZINC000783256015 931475665 /nfs/dbraw/zinc/47/56/65/931475665.db2.gz UEISUWNMFBAVKY-RMORIDSASA-N 1 0 391.397 3.919 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000783328471 931521324 /nfs/dbraw/zinc/52/13/24/931521324.db2.gz CEBDPYJEOPFWBH-KWXGJIJISA-N 1 0 375.563 3.612 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](C(C)(C)C)C2)c1=S ZINC000784032294 931761428 /nfs/dbraw/zinc/76/14/28/931761428.db2.gz NKGBABNZACERHR-SFHVURJKSA-N 1 0 391.629 3.954 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[C@H]1C[NH3+] ZINC000926045160 932016065 /nfs/dbraw/zinc/01/60/65/932016065.db2.gz GPKQEEAQOAUXSU-CABCVRRESA-N 1 0 382.439 3.938 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000926115097 932054433 /nfs/dbraw/zinc/05/44/33/932054433.db2.gz RTDWXRDSUMVMAN-KZNAEPCWSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000558640382 932135035 /nfs/dbraw/zinc/13/50/35/932135035.db2.gz KSRIYYJSDSHXHP-HSZRJFAPSA-N 1 0 392.547 3.915 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000796991829 932138741 /nfs/dbraw/zinc/13/87/41/932138741.db2.gz XUOFYZKVMLMDJE-FDQGKXFDSA-N 1 0 393.915 3.620 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCOC(F)F ZINC000926371702 932151391 /nfs/dbraw/zinc/15/13/91/932151391.db2.gz ZCGPIXWWSUFFID-AWEZNQCLSA-N 1 0 375.460 3.525 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCOC(F)F ZINC000926371704 932151573 /nfs/dbraw/zinc/15/15/73/932151573.db2.gz ZCGPIXWWSUFFID-CQSZACIVSA-N 1 0 375.460 3.525 20 30 GHEDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000926523158 932216235 /nfs/dbraw/zinc/21/62/35/932216235.db2.gz BPWYYXGIJIZTJM-DLBZAZTESA-N 1 0 391.581 3.533 20 30 GHEDRO C=C1CCC(CNC(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)CC1 ZINC000926541428 932221688 /nfs/dbraw/zinc/22/16/88/932221688.db2.gz RVPNUBGJNRCYMZ-GOSISDBHSA-N 1 0 376.570 3.661 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCC[C@H]1CCOC1 ZINC000926543993 932222933 /nfs/dbraw/zinc/22/29/33/932222933.db2.gz NUWPCICLWOJREX-ROUUACIJSA-N 1 0 379.545 3.712 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000797357066 932262166 /nfs/dbraw/zinc/26/21/66/932262166.db2.gz UBUVIDOGWBNFSX-UHFFFAOYSA-N 1 0 389.215 3.752 20 30 GHEDRO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000926784605 932305441 /nfs/dbraw/zinc/30/54/41/932305441.db2.gz FRLRJLUQIFDYDW-MWTRTKDXSA-N 1 0 394.494 3.522 20 30 GHEDRO N#CC1(CCC[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)CCOCC1 ZINC000799167717 932896317 /nfs/dbraw/zinc/89/63/17/932896317.db2.gz DDZHHDFZTZPOEL-UHFFFAOYSA-N 1 0 399.535 3.725 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](c4ccccn4)C3)sc2C1 ZINC000799192767 932908167 /nfs/dbraw/zinc/90/81/67/932908167.db2.gz HIQSSLBWZROHPF-HZPDHXFCSA-N 1 0 394.544 3.958 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000799358920 932966842 /nfs/dbraw/zinc/96/68/42/932966842.db2.gz QNCLFEBKRWZNPF-IBGZPJMESA-N 1 0 387.524 3.954 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1F ZINC000560580587 933360617 /nfs/dbraw/zinc/36/06/17/933360617.db2.gz YUJMYGBWIFWHKG-UGKGYDQZSA-N 1 0 377.463 3.824 20 30 GHEDRO CC[C@@](C)(C#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000560621420 933396650 /nfs/dbraw/zinc/39/66/50/933396650.db2.gz OVFCZKWYYPPECC-DEOSSOPVSA-N 1 0 390.531 3.930 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CC#Cc2ccccc2)CC1 ZINC001116269260 933447773 /nfs/dbraw/zinc/44/77/73/933447773.db2.gz ILJXCLNHJASIBU-IBGZPJMESA-N 1 0 393.506 3.587 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC001116951342 933844350 /nfs/dbraw/zinc/84/43/50/933844350.db2.gz FDXKPHJGMBCTOP-UHFFFAOYSA-N 1 0 396.922 3.938 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1 ZINC001116956219 933845791 /nfs/dbraw/zinc/84/57/91/933845791.db2.gz SELORYUHHGUUGQ-UHFFFAOYSA-N 1 0 396.918 3.880 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000561132853 933899360 /nfs/dbraw/zinc/89/93/60/933899360.db2.gz VDGISPJSHPYBBA-BTYIYWSLSA-N 1 0 383.517 3.537 20 30 GHEDRO CC(C)(C)OC(=O)N(CCC[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000930334341 933987310 /nfs/dbraw/zinc/98/73/10/933987310.db2.gz YHCIAHDAPWKNTO-UHFFFAOYSA-N 1 0 384.524 3.728 20 30 GHEDRO Cc1nc(SCc2nnc(CC[NH+]3CCC(C)CC3)o2)c(C#N)c(C)c1C ZINC001118132562 934094749 /nfs/dbraw/zinc/09/47/49/934094749.db2.gz UIRQMWVJWLRNKQ-UHFFFAOYSA-N 1 0 385.537 3.828 20 30 GHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)n2)c(Cl)c1 ZINC000930770934 934231656 /nfs/dbraw/zinc/23/16/56/934231656.db2.gz HMPJEUMIHPWFTO-UHFFFAOYSA-N 1 0 398.898 3.536 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccccc2CN(C)c2ccccc2)CC1 ZINC000931146128 934398058 /nfs/dbraw/zinc/39/80/58/934398058.db2.gz URFWUYSNOBIZOD-UHFFFAOYSA-N 1 0 376.504 3.542 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001121628722 934719395 /nfs/dbraw/zinc/71/93/95/934719395.db2.gz IKQGIOWHOVELHD-WOJBJXKFSA-N 1 0 385.556 3.549 20 30 GHEDRO C=CCn1c(C[C@H](C)SCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121656429 934729282 /nfs/dbraw/zinc/72/92/82/934729282.db2.gz RIODFVTUWSEYIM-KRWDZBQOSA-N 1 0 377.602 3.603 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCCOC2)O1 ZINC000562316256 934818581 /nfs/dbraw/zinc/81/85/81/934818581.db2.gz XXHYPTCSKHYNEF-CYFREDJKSA-N 1 0 392.499 3.907 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)C1 ZINC001122118096 934825463 /nfs/dbraw/zinc/82/54/63/934825463.db2.gz HEAJONSFABPMRN-HXUWFJFHSA-N 1 0 394.567 3.686 20 30 GHEDRO N#CCc1ccnc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000932163583 934837601 /nfs/dbraw/zinc/83/76/01/934837601.db2.gz OFCNIIXJMGIUJZ-QHAWAJNXSA-N 1 0 389.503 3.570 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000932235730 934856695 /nfs/dbraw/zinc/85/66/95/934856695.db2.gz UTVWGLNQVOHFLZ-SJLPKXTDSA-N 1 0 394.441 3.535 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(=O)[nH]2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001122514954 934887331 /nfs/dbraw/zinc/88/73/31/934887331.db2.gz YKKSAGQZBJVCKQ-UHFFFAOYSA-N 1 0 398.555 3.570 20 30 GHEDRO C=CCN(c1nnc([C@H](C)N(C)Cc2ccccc2)n1C[C@@H]1CCOC1)C1CC1 ZINC001123227241 935123161 /nfs/dbraw/zinc/12/31/61/935123161.db2.gz QJDONSXCHFFUFU-ICSRJNTNSA-N 1 0 395.551 3.662 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CC[NH+](Cc3ccccc3)CC2)n1CC1CC1 ZINC001123415807 935187147 /nfs/dbraw/zinc/18/71/47/935187147.db2.gz VLHQQDLMDLCSRY-GOSISDBHSA-N 1 0 392.551 3.664 20 30 GHEDRO C=CCc1ccc(OC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)c(OC)c1 ZINC001124175974 935352994 /nfs/dbraw/zinc/35/29/94/935352994.db2.gz HUBPGANXOYATDT-UVTDQMKNSA-N 1 0 381.472 3.983 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccncc2C#N)C1 ZINC000828621033 935677487 /nfs/dbraw/zinc/67/74/87/935677487.db2.gz HFWGXRWQQBZRTL-ICSRJNTNSA-N 1 0 384.524 3.955 20 30 GHEDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1C#N ZINC000829516613 935821040 /nfs/dbraw/zinc/82/10/40/935821040.db2.gz FVMJGLDJOBFUJI-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000829677874 935843959 /nfs/dbraw/zinc/84/39/59/935843959.db2.gz PGGLUCWGSGJCKZ-PWIZWCRZSA-N 1 0 392.503 3.797 20 30 GHEDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137904138 935857751 /nfs/dbraw/zinc/85/77/51/935857751.db2.gz OIKWUNDJGPSHBT-BVYCBKJFSA-N 1 0 375.472 3.852 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468088022 1015245719 /nfs/dbraw/zinc/24/57/19/1015245719.db2.gz PTPZKGFGMZAXMA-KBPBESRZSA-N 1 0 383.305 3.833 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)ccc1OCCC(C)C ZINC000468789241 1016034724 /nfs/dbraw/zinc/03/47/24/1016034724.db2.gz BOUUYFSWEPXBIC-DLBZAZTESA-N 1 0 387.524 3.722 20 30 GHEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000469034310 1016357246 /nfs/dbraw/zinc/35/72/46/1016357246.db2.gz RBYNQUCSTVNNNL-AVRDEDQJSA-N 1 0 378.520 3.631 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470722517 1016873723 /nfs/dbraw/zinc/87/37/23/1016873723.db2.gz KGQOCJQVQUIXPL-DEOSSOPVSA-N 1 0 385.511 3.827 20 30 GHEDRO Cc1ccc(CNC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1C#N ZINC001226879557 1032172930 /nfs/dbraw/zinc/17/29/30/1032172930.db2.gz SNOVHCCKHMISJI-QFIPXVFZSA-N 1 0 376.504 3.577 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCc1cccc(-c2ccc(F)cc2)c1 ZINC001220962431 1032210053 /nfs/dbraw/zinc/21/00/53/1032210053.db2.gz MINYMLFDBRLHIF-QHCPKHFHSA-N 1 0 387.458 3.941 20 30 GHEDRO C=CCSc1ncccc1C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221043498 1032251004 /nfs/dbraw/zinc/25/10/04/1032251004.db2.gz YACRGTVZSVJABS-LJQANCHMSA-N 1 0 385.508 3.970 20 30 GHEDRO COc1c(Cl)cnc(O[C@H]2CCCN(Cc3ccccc3F)C2)c1C#N ZINC001227557839 1032463863 /nfs/dbraw/zinc/46/38/63/1032463863.db2.gz TYFXXUIZMKMPTO-AWEZNQCLSA-N 1 0 375.831 3.798 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC001155307089 1032495081 /nfs/dbraw/zinc/49/50/81/1032495081.db2.gz PXGRUJABLIYQCY-OAHLLOKOSA-N 1 0 377.835 3.815 20 30 GHEDRO Cc1n[nH]c2ccc(C(=O)N(Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)cc12 ZINC001155576758 1032586499 /nfs/dbraw/zinc/58/64/99/1032586499.db2.gz XTFXAALEKDZRFS-MXVIHJGJSA-N 1 0 387.487 3.655 20 30 GHEDRO CCCN(c1ncc2c(c1C#N)CCC[NH2+]C2)[C@@H](C)C(=O)Nc1ccccc1C ZINC001155616319 1032601237 /nfs/dbraw/zinc/60/12/37/1032601237.db2.gz BAJWPQSZGNYBED-KRWDZBQOSA-N 1 0 391.519 3.541 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000926020690 1017200115 /nfs/dbraw/zinc/20/01/15/1017200115.db2.gz ULRMOXOWOGUMDP-YLJYHZDGSA-N 1 0 392.503 3.894 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(OC)cccc1OC)CC2 ZINC001204247635 1032688884 /nfs/dbraw/zinc/68/88/84/1032688884.db2.gz MMPXETKFRMNTBJ-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)CC2)c1 ZINC000560175617 1017566206 /nfs/dbraw/zinc/56/62/06/1017566206.db2.gz RYLFISIXJBATTE-UHFFFAOYSA-N 1 0 397.482 3.839 20 30 GHEDRO C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)C[NH+](CCCC1(C#N)CCOCC1)C2 ZINC000931225483 1017943557 /nfs/dbraw/zinc/94/35/57/1017943557.db2.gz ULOVMPKXZHRCSE-DHIUTWEWSA-N 1 0 381.564 3.931 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cc1 ZINC001204300956 1032742365 /nfs/dbraw/zinc/74/23/65/1032742365.db2.gz XYUCNKIUCZGANG-JOCHJYFZSA-N 1 0 397.544 3.641 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001204299698 1032738957 /nfs/dbraw/zinc/73/89/57/1032738957.db2.gz DOGYPXQURRGTLK-XMMPIXPASA-N 1 0 387.483 3.752 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)cc1 ZINC001204301205 1032743428 /nfs/dbraw/zinc/74/34/28/1032743428.db2.gz ROWLHNLFEAMEEJ-UHFFFAOYSA-N 1 0 380.488 3.973 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC001204301336 1032745631 /nfs/dbraw/zinc/74/56/31/1032745631.db2.gz WMWNWUBXCJIRGX-WZONZLPQSA-N 1 0 377.488 3.521 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCCO1 ZINC000562499155 1018234869 /nfs/dbraw/zinc/23/48/69/1018234869.db2.gz HTHSAMYTYVNQPW-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)CCCC1 ZINC000562524677 1018268838 /nfs/dbraw/zinc/26/88/38/1018268838.db2.gz HVWYPPSLMDUTPN-HXUWFJFHSA-N 1 0 383.536 3.928 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000932698752 1018590653 /nfs/dbraw/zinc/59/06/53/1018590653.db2.gz WNJBIQOCQGZZAR-WMZHIEFXSA-N 1 0 399.535 3.664 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000562751100 1018601773 /nfs/dbraw/zinc/60/17/73/1018601773.db2.gz JCAAKPBJWLAANI-QHCPKHFHSA-N 1 0 390.487 3.663 20 30 GHEDRO C=CC[C@H](NC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccncc1 ZINC001228098054 1032779081 /nfs/dbraw/zinc/77/90/81/1032779081.db2.gz SIARHRIZYFNZGE-GPXNEJASSA-N 1 0 390.531 3.862 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](CCc3cncs3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941359 1018769670 /nfs/dbraw/zinc/76/96/70/1018769670.db2.gz BIQHXGJWNHZEBS-RKDXNWHRSA-N 1 0 380.304 3.788 20 30 GHEDRO CCn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000932951518 1018781867 /nfs/dbraw/zinc/78/18/67/1018781867.db2.gz XAOIDRBVLMYBRZ-PHIMTYICSA-N 1 0 391.306 3.548 20 30 GHEDRO Cc1nccn1CCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932951748 1018781972 /nfs/dbraw/zinc/78/19/72/1018781972.db2.gz ZJWYOQTZQPAUOB-PHIMTYICSA-N 1 0 391.306 3.684 20 30 GHEDRO Cc1nccn1CCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932951751 1018782047 /nfs/dbraw/zinc/78/20/47/1018782047.db2.gz ZJWYOQTZQPAUOB-QWRGUYRKSA-N 1 0 391.306 3.684 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001228129481 1032799379 /nfs/dbraw/zinc/79/93/79/1032799379.db2.gz FTSGQDLMZCHWLG-FQEVSTJZSA-N 1 0 394.544 3.744 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cc(O)cc3[nH]ccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001155967238 1032818842 /nfs/dbraw/zinc/81/88/42/1032818842.db2.gz BIYMCSWCDNLFIF-IYARVYRRSA-N 1 0 388.471 3.657 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1ccccc1N(C)C ZINC000570430579 1019605403 /nfs/dbraw/zinc/60/54/03/1019605403.db2.gz OBOOUKKDEOYEMT-AWEZNQCLSA-N 1 0 382.533 3.633 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000570862328 1019649101 /nfs/dbraw/zinc/64/91/01/1019649101.db2.gz LYFXJJOAHQENQI-OPAMFIHVSA-N 1 0 397.544 3.927 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000571809522 1019711691 /nfs/dbraw/zinc/71/16/91/1019711691.db2.gz OOPRUFWENXZAMT-AZUAARDMSA-N 1 0 387.572 3.654 20 30 GHEDRO N#Cc1ccc(N2CC[C@H](N3CC4(CCOCC4)[C@H]3c3ccccc3)C2=O)cc1 ZINC000572098922 1019740926 /nfs/dbraw/zinc/74/09/26/1019740926.db2.gz HHIDEIHOLSSAQY-FCHUYYIVSA-N 1 0 387.483 3.517 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCCC1 ZINC000576673785 1020051949 /nfs/dbraw/zinc/05/19/49/1020051949.db2.gz QBOPNUXSLVYQHD-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO C[C@@H](NC(=O)c1ccccc1SCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778962552 1020060003 /nfs/dbraw/zinc/06/00/03/1020060003.db2.gz VCRRSHWDOAMVGM-IEBWSBKVSA-N 1 0 379.529 3.943 20 30 GHEDRO C[C@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)c1ccc(Br)s1 ZINC001156097841 1032875800 /nfs/dbraw/zinc/87/58/00/1032875800.db2.gz CFNXZNZFRDTHLJ-JTQLQIEISA-N 1 0 377.311 3.986 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC[C@H](O)CC2(C#N)CC2)cc1)C[C@@H]1CCCCO1 ZINC000600738459 1020227921 /nfs/dbraw/zinc/22/79/21/1020227921.db2.gz KKLVVIVOTCNTRP-YADHBBJMSA-N 1 0 385.552 3.933 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC[C@@H](O)CC2(C#N)CC2)cc1)C[C@@H]1CCCCO1 ZINC000600738457 1020228252 /nfs/dbraw/zinc/22/82/52/1020228252.db2.gz KKLVVIVOTCNTRP-VXKWHMMOSA-N 1 0 385.552 3.933 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000578173186 1020338453 /nfs/dbraw/zinc/33/84/53/1020338453.db2.gz DXBLMDRWHREVMS-HXUWFJFHSA-N 1 0 386.455 3.887 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000628328782 1020691459 /nfs/dbraw/zinc/69/14/59/1020691459.db2.gz VXXLPQFZBBCLSD-SFHVURJKSA-N 1 0 394.943 3.600 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)ccc3F)C2)C1=O ZINC001204498010 1032929355 /nfs/dbraw/zinc/92/93/55/1032929355.db2.gz WLBJTWSOXPORIM-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[NH+](CC(C)C)CC2)c1=S ZINC000192524966 1020885618 /nfs/dbraw/zinc/88/56/18/1020885618.db2.gz VANPVRYXQBBPJJ-UHFFFAOYSA-N 1 0 389.544 3.637 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)cc1 ZINC000245789362 1021026162 /nfs/dbraw/zinc/02/61/62/1021026162.db2.gz VWCIWQIZIHBFMK-LEWJYISDSA-N 1 0 393.531 3.700 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC000834494933 1021223842 /nfs/dbraw/zinc/22/38/42/1021223842.db2.gz RBRPBENLXBZELQ-IUODEOHRSA-N 1 0 383.498 3.628 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1=O ZINC001140409230 1021590524 /nfs/dbraw/zinc/59/05/24/1021590524.db2.gz MGAIJPZCOWBKPS-QFIPXVFZSA-N 1 0 396.922 3.798 20 30 GHEDRO C[NH+]1CCC2(CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C2)CC1 ZINC001140441223 1021716420 /nfs/dbraw/zinc/71/64/20/1021716420.db2.gz LTQHZSAXQBSQHV-UHFFFAOYSA-N 1 0 394.519 3.824 20 30 GHEDRO C=C(C)[C@H](CO)Sc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000677130959 1021799449 /nfs/dbraw/zinc/79/94/49/1021799449.db2.gz HAKGOQXNNRQPHJ-IBGZPJMESA-N 1 0 389.565 3.544 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000835067727 1021848715 /nfs/dbraw/zinc/84/87/15/1021848715.db2.gz AVRLRIUONOPWCR-RTWAWAEBSA-N 1 0 399.535 3.843 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000835068303 1021853345 /nfs/dbraw/zinc/85/33/45/1021853345.db2.gz DZTRLBCVCGVYRV-RTWAWAEBSA-N 1 0 399.535 3.843 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)c1 ZINC001140598953 1022043116 /nfs/dbraw/zinc/04/31/16/1022043116.db2.gz KXWCDTBYBSAMBL-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(C#N)ccc1Cl)C2 ZINC001140603003 1022048877 /nfs/dbraw/zinc/04/88/77/1022048877.db2.gz WINWJLNTHUQDLE-JLVBRIDZSA-N 1 0 375.900 3.947 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC001140621527 1022093819 /nfs/dbraw/zinc/09/38/19/1022093819.db2.gz DNMMJDAIRNNNCV-UHFFFAOYSA-N 1 0 384.476 3.620 20 30 GHEDRO N#Cc1ccc2[nH]c(C(=O)N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc2c1 ZINC001156455424 1033041982 /nfs/dbraw/zinc/04/19/82/1033041982.db2.gz IWQUJIUYGYXXEU-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(Cl)ccc3N)C2)CC1 ZINC001140716394 1022351944 /nfs/dbraw/zinc/35/19/44/1022351944.db2.gz MJPGKSPXYONRDK-UHFFFAOYSA-N 1 0 377.916 3.923 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000754101397 1022482714 /nfs/dbraw/zinc/48/27/14/1022482714.db2.gz FNNXOZPIYBBARM-UTKZUKDTSA-N 1 0 377.488 3.635 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cccc(C#N)c4Cl)CC[N@@H+]3C2)cc1 ZINC001140811106 1022599213 /nfs/dbraw/zinc/59/92/13/1022599213.db2.gz LDHKGJIXCAFQLR-PZJWPPBQSA-N 1 0 381.907 3.858 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)c1Cl ZINC001140812048 1022602342 /nfs/dbraw/zinc/60/23/42/1022602342.db2.gz KREBARGDWKLCCK-UHFFFAOYSA-N 1 0 383.879 3.933 20 30 GHEDRO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2cccc(C#N)c2Cl)CC3)n1 ZINC001140813540 1022611376 /nfs/dbraw/zinc/61/13/76/1022611376.db2.gz LZMKFYJKFMILEF-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@H]21 ZINC001140814589 1022612778 /nfs/dbraw/zinc/61/27/78/1022612778.db2.gz NUFYZDIWSPROMU-USXIJHARSA-N 1 0 375.900 3.947 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CCO)c2cccs2)ccc1Cl ZINC000754386143 1022662596 /nfs/dbraw/zinc/66/25/96/1022662596.db2.gz KPPYLNVVCVOZAV-KRWDZBQOSA-N 1 0 391.924 3.670 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(-c4ncccn4)c3)C2)C1 ZINC001140975950 1023059782 /nfs/dbraw/zinc/05/97/82/1023059782.db2.gz TWNVGPPSJPLVRV-HSZRJFAPSA-N 1 0 392.503 3.754 20 30 GHEDRO C=C[C@@H]1O[C@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228829272 1033126627 /nfs/dbraw/zinc/12/66/27/1033126627.db2.gz IZKRUEHVEXFYTR-CMOCDZPBSA-N 1 0 398.503 3.787 20 30 GHEDRO C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755871585 1023411460 /nfs/dbraw/zinc/41/14/60/1023411460.db2.gz PVFQCVLHHKMKFJ-LQWHRVPQSA-N 1 0 378.472 3.779 20 30 GHEDRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000162182385 1023415949 /nfs/dbraw/zinc/41/59/49/1023415949.db2.gz KFDHDKCJXPFQHG-CQSZACIVSA-N 1 0 399.310 3.508 20 30 GHEDRO C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755882299 1023419559 /nfs/dbraw/zinc/41/95/59/1023419559.db2.gz SEWOXQDKPDXQMC-NQIIRXRSSA-N 1 0 378.472 3.585 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](C(C)C)C2)c1=S ZINC000755925488 1023437918 /nfs/dbraw/zinc/43/79/18/1023437918.db2.gz RTLSOABCFSCQKG-GOSISDBHSA-N 1 0 377.602 3.564 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1=O ZINC001141116805 1023536288 /nfs/dbraw/zinc/53/62/88/1023536288.db2.gz NQQHUHOADHAWAR-HSZRJFAPSA-N 1 0 379.479 3.888 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccccc1SCc1c(C)noc1C ZINC000756544702 1023707432 /nfs/dbraw/zinc/70/74/32/1023707432.db2.gz QURWTAHPWLTCFQ-KRWDZBQOSA-N 1 0 384.501 3.838 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000756997127 1023903252 /nfs/dbraw/zinc/90/32/52/1023903252.db2.gz VAKSYPDLDRARLC-LJQANCHMSA-N 1 0 385.305 3.737 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001204992634 1033198013 /nfs/dbraw/zinc/19/80/13/1033198013.db2.gz JJDIKHXOOKCTSS-QOSBUDKSSA-N 1 0 383.854 3.798 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C12CCCC2 ZINC000831021998 1024312708 /nfs/dbraw/zinc/31/27/08/1024312708.db2.gz PLUJTRMOCXGZRJ-RTBURBONSA-N 1 0 385.508 3.503 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncnc(Cl)c2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001156751081 1033223477 /nfs/dbraw/zinc/22/34/77/1033223477.db2.gz YJCBGZZSDOUWBB-ZDUSSCGKSA-N 1 0 396.882 3.824 20 30 GHEDRO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4ccc(C#Cc5ccccc5)cc4)C[C@H]3O2)n1 ZINC001138335411 1024696350 /nfs/dbraw/zinc/69/63/50/1024696350.db2.gz QBJGFUAVSVEGEN-RBZQAINGSA-N 1 0 399.494 3.610 20 30 GHEDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@H]2C1 ZINC001138335130 1024696982 /nfs/dbraw/zinc/69/69/82/1024696982.db2.gz GYMXFGSLNSSAHO-JOZNFPNDSA-N 1 0 384.523 3.823 20 30 GHEDRO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@H]2C1 ZINC001138334957 1024697016 /nfs/dbraw/zinc/69/70/16/1024697016.db2.gz AKDMZTFJRPCOBG-ZEQRLZLVSA-N 1 0 396.490 3.883 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000831893920 1024982786 /nfs/dbraw/zinc/98/27/86/1024982786.db2.gz JZMLXFVRMYOYAY-AZUAARDMSA-N 1 0 377.488 3.871 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC001138559580 1025022239 /nfs/dbraw/zinc/02/22/39/1025022239.db2.gz WOGBRKLSXYRGHQ-RUZDIDTESA-N 1 0 386.495 3.599 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1O ZINC001138627256 1025127640 /nfs/dbraw/zinc/12/76/40/1025127640.db2.gz BATJPFSYSXIECT-RPWUZVMVSA-N 1 0 392.543 3.639 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1O ZINC001138628702 1025129575 /nfs/dbraw/zinc/12/95/75/1025129575.db2.gz CJAHJYQXENHSNV-NFBKMPQASA-N 1 0 380.488 3.718 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001138630975 1025134912 /nfs/dbraw/zinc/13/49/12/1025134912.db2.gz HOSYPDLQAWTYDY-MRXNPFEDSA-N 1 0 393.409 3.973 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)C1 ZINC001138647107 1025158653 /nfs/dbraw/zinc/15/86/53/1025158653.db2.gz OOISWJKMZORGGN-QFIPXVFZSA-N 1 0 398.482 3.622 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c(OC(F)F)c1 ZINC000832048216 1025179525 /nfs/dbraw/zinc/17/95/25/1025179525.db2.gz JZEKFQMTHVQGLN-WBVHZDCISA-N 1 0 378.419 3.667 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccc5c(c4)CCCO5)C3)CC2=O)c1 ZINC001138715845 1025239902 /nfs/dbraw/zinc/23/99/02/1025239902.db2.gz UNXLQKUFOLEDLW-XMMPIXPASA-N 1 0 387.483 3.512 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3N3CCC(O)CC3)C2)c1 ZINC001138763422 1025325214 /nfs/dbraw/zinc/32/52/14/1025325214.db2.gz YPBJULVICNTLSL-HSZRJFAPSA-N 1 0 391.515 3.563 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(OCCO)cc3)CC2)cc1Cl ZINC001138796535 1025372456 /nfs/dbraw/zinc/37/24/56/1025372456.db2.gz HSYTXHGMYCELEM-UHFFFAOYSA-N 1 0 386.879 3.626 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138878873 1025512798 /nfs/dbraw/zinc/51/27/98/1025512798.db2.gz TXWSRVBAGCTHPS-QFIPXVFZSA-N 1 0 398.482 3.826 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161988810 1025523079 /nfs/dbraw/zinc/52/30/79/1025523079.db2.gz TVIIGTFKUYCPHU-UHFFFAOYSA-N 1 0 394.828 3.831 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNc1ncnc2c1cnn2-c1ccccc1)C(C)C ZINC001162094701 1025601333 /nfs/dbraw/zinc/60/13/33/1025601333.db2.gz FJFVAIJYIYEUOA-HXUWFJFHSA-N 1 0 376.508 3.926 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000839155973 1025657430 /nfs/dbraw/zinc/65/74/30/1025657430.db2.gz XKDKHFWTFQGRIJ-JOCHJYFZSA-N 1 0 399.441 3.611 20 30 GHEDRO N#Cc1nc(Cl)c(N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)nc1C#N ZINC001162233896 1025684831 /nfs/dbraw/zinc/68/48/31/1025684831.db2.gz RRJREJIDTNTCIK-OAHLLOKOSA-N 1 0 384.846 3.555 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001139027763 1025793904 /nfs/dbraw/zinc/79/39/04/1025793904.db2.gz AVWKYWZAMNBHDV-UHFFFAOYSA-N 1 0 378.520 3.924 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 ZINC001139028471 1025796598 /nfs/dbraw/zinc/79/65/98/1025796598.db2.gz UXWBYXBONOYFHO-UHFFFAOYSA-N 1 0 398.528 3.711 20 30 GHEDRO COc1cc(C(F)(F)n2cncc2-c2cccc(C[NH3+])c2)c(C#N)c(Cl)n1 ZINC001162564570 1025798395 /nfs/dbraw/zinc/79/83/95/1025798395.db2.gz HVRAENCVFISJBK-UHFFFAOYSA-N 1 0 389.793 3.535 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001139032628 1025806093 /nfs/dbraw/zinc/80/60/93/1025806093.db2.gz RSWWESUEKPCJRZ-CQOQZXRMSA-N 1 0 394.515 3.985 20 30 GHEDRO C[C@@H]1CCN(c2ncc(C#N)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001162638183 1025846324 /nfs/dbraw/zinc/84/63/24/1025846324.db2.gz OPZNGCYXADEBCH-OAHLLOKOSA-N 1 0 385.309 3.817 20 30 GHEDRO Cc1nc(C#N)cc(NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)n1 ZINC001162664387 1025860834 /nfs/dbraw/zinc/86/08/34/1025860834.db2.gz SWTHOGWIHSRVSI-UHFFFAOYSA-N 1 0 379.508 3.912 20 30 GHEDRO Cc1cnc(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)c(C#N)c1 ZINC001162676927 1025868349 /nfs/dbraw/zinc/86/83/49/1025868349.db2.gz WEJDKFLATSTBJG-UHFFFAOYSA-N 1 0 390.487 3.591 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)cc2c1Cl ZINC001162803780 1025923189 /nfs/dbraw/zinc/92/31/89/1025923189.db2.gz VRYLZNMDKCDPID-XXLQHYSLSA-N 1 0 395.240 3.826 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C2 ZINC001139116286 1025924523 /nfs/dbraw/zinc/92/45/23/1025924523.db2.gz DVBJEDHDERZUPC-WIYYLYMNSA-N 1 0 395.927 3.931 20 30 GHEDRO N#Cc1cnc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001162900112 1025958349 /nfs/dbraw/zinc/95/83/49/1025958349.db2.gz MKRQHTGSRBBQGO-GUDVDZBRSA-N 1 0 377.448 3.574 20 30 GHEDRO Cc1ccc2c(c1)[C@H](Nc1ncc(Br)nc1C#N)CC21CC[NH2+]CC1 ZINC001163033933 1026016242 /nfs/dbraw/zinc/01/62/42/1026016242.db2.gz LIEXCRPLLASWDC-OAHLLOKOSA-N 1 0 398.308 3.597 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1Cl ZINC001163055734 1026028110 /nfs/dbraw/zinc/02/81/10/1026028110.db2.gz DFCCKBHMDDJZNW-SNVBAGLBSA-N 1 0 384.698 3.937 20 30 GHEDRO N#Cc1c(C#N)c2c(nc1NCC[C@@H]1C[NH2+]Cc3cccn3C1)CCCCCC2 ZINC001163057064 1026029016 /nfs/dbraw/zinc/02/90/16/1026029016.db2.gz LYDIRKNRQZKEDQ-QGZVFWFLSA-N 1 0 388.519 3.507 20 30 GHEDRO N#Cc1nccnc1N1CC[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC001139200226 1026043539 /nfs/dbraw/zinc/04/35/39/1026043539.db2.gz PUKKHMQPSXOTHK-UHFFFAOYSA-N 1 0 394.482 3.819 20 30 GHEDRO Cn1ccc2ccc(C[N@@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)cc21 ZINC001139206720 1026055656 /nfs/dbraw/zinc/05/56/56/1026055656.db2.gz XVGDDILLNIQUTO-DEOSSOPVSA-N 1 0 384.483 3.679 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2C[NH2+]Cc3ccsc32)n1 ZINC001163226249 1026095900 /nfs/dbraw/zinc/09/59/00/1026095900.db2.gz DLYYSKTYIQJCQA-FASILNANSA-N 1 0 376.551 3.589 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163286170 1026125464 /nfs/dbraw/zinc/12/54/64/1026125464.db2.gz ZHBWILOMVKFRMT-ZBEGNZNMSA-N 1 0 384.705 3.545 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163286167 1026125574 /nfs/dbraw/zinc/12/55/74/1026125574.db2.gz ZHBWILOMVKFRMT-BDJLRTHQSA-N 1 0 384.705 3.545 20 30 GHEDRO COC[C@H]1COCCC12CC[NH+](Cc1cc(C#N)ccc1Br)CC2 ZINC001141659235 1026136498 /nfs/dbraw/zinc/13/64/98/1026136498.db2.gz GRYHZCHQYKEFEI-KRWDZBQOSA-N 1 0 393.325 3.586 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000839644975 1026157002 /nfs/dbraw/zinc/15/70/02/1026157002.db2.gz RCIMEJCRTRMZTM-FCHUYYIVSA-N 1 0 398.547 3.822 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000839646180 1026159994 /nfs/dbraw/zinc/15/99/94/1026159994.db2.gz YKKNTAXUHQUWMR-LEWJYISDSA-N 1 0 399.535 3.843 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC001163384903 1026170927 /nfs/dbraw/zinc/17/09/27/1026170927.db2.gz DCPUVZLLNKEJEN-QGZVFWFLSA-N 1 0 379.291 3.991 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC001163473949 1026207563 /nfs/dbraw/zinc/20/75/63/1026207563.db2.gz YABLQSDCGBPROW-UHFFFAOYSA-N 1 0 383.858 3.847 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH+]3CCC(c4cccc(C#N)c4)CC3)cn2)C[C@H](C)O1 ZINC001139381345 1026250472 /nfs/dbraw/zinc/25/04/72/1026250472.db2.gz PEKJBPIQHBYVIF-OALUTQOASA-N 1 0 390.531 3.946 20 30 GHEDRO C[N@H+](C1CCOCC1)C1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139405436 1026277042 /nfs/dbraw/zinc/27/70/42/1026277042.db2.gz PPPZCMSEKAEUSM-UHFFFAOYSA-N 1 0 390.531 3.695 20 30 GHEDRO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406272 1026279404 /nfs/dbraw/zinc/27/94/04/1026279404.db2.gz OVUAJGZAGQDGLI-UHFFFAOYSA-N 1 0 376.504 3.701 20 30 GHEDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139423715 1026294970 /nfs/dbraw/zinc/29/49/70/1026294970.db2.gz JFJKMMFUXVCKNV-JTHBVZDNSA-N 1 0 393.487 3.906 20 30 GHEDRO CCOC(=O)CC1CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139426935 1026297522 /nfs/dbraw/zinc/29/75/22/1026297522.db2.gz OBCOMPKJOJVYMB-UHFFFAOYSA-N 1 0 379.460 3.911 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[C@@H]([NH+]4CCCC4)[C@@H](F)C3)cn2)cc1 ZINC001139429552 1026299287 /nfs/dbraw/zinc/29/92/87/1026299287.db2.gz UYTSYIUIIINENF-LEWJYISDSA-N 1 0 380.467 3.754 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c3ccccc3[nH]c1C(=O)OCC)C2 ZINC001139464069 1026330239 /nfs/dbraw/zinc/33/02/39/1026330239.db2.gz JWQYIAVEACHYJG-GAJHUEQPSA-N 1 0 398.503 3.671 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2c2ccccc2)C1=O ZINC001139528823 1026387629 /nfs/dbraw/zinc/38/76/29/1026387629.db2.gz ZAKLNAMHBVBTNF-QPPBQGQZSA-N 1 0 389.474 3.701 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1Cl ZINC001139614281 1026478946 /nfs/dbraw/zinc/47/89/46/1026478946.db2.gz YLRQAUSSYZIUPI-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001139689645 1026541062 /nfs/dbraw/zinc/54/10/62/1026541062.db2.gz RPOJBSYHBWEZGD-IBGZPJMESA-N 1 0 397.906 3.947 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CCCC4(CCN(c5ncccn5)CC4)C3)c[nH]c21 ZINC001139702746 1026547222 /nfs/dbraw/zinc/54/72/22/1026547222.db2.gz GOTWQNDMKSZIFK-UHFFFAOYSA-N 1 0 386.503 3.712 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@H]12 ZINC001139707420 1026552221 /nfs/dbraw/zinc/55/22/21/1026552221.db2.gz FAIZGZYICWKHAD-AYOQOUSVSA-N 1 0 380.492 3.775 20 30 GHEDRO Cn1c2ccccc2c(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc1=O ZINC001139760314 1026596120 /nfs/dbraw/zinc/59/61/20/1026596120.db2.gz NKAYTTNHGKPCKG-UHFFFAOYSA-N 1 0 375.447 3.735 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]([NH3+])C(F)(F)C3)cnc2Cl)cc1 ZINC001165132726 1026624710 /nfs/dbraw/zinc/62/47/10/1026624710.db2.gz XVWVJIPEMFFBDZ-HNNXBMFYSA-N 1 0 398.791 3.991 20 30 GHEDRO C[NH+]1C[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@H]2C1 ZINC001165153736 1026636341 /nfs/dbraw/zinc/63/63/41/1026636341.db2.gz SAHHKDIUOFZZJB-GHMZBOCLSA-N 1 0 397.256 3.956 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N(Cc1cccnc1)C1CCC([NH3+])CC1 ZINC001165197323 1026658550 /nfs/dbraw/zinc/65/85/50/1026658550.db2.gz IKPNOSWEUVGMRR-UHFFFAOYSA-N 1 0 391.853 3.823 20 30 GHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165268228 1026686674 /nfs/dbraw/zinc/68/66/74/1026686674.db2.gz SCPWMJRQOUSYNW-CYBMUJFWSA-N 1 0 379.213 3.771 20 30 GHEDRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139874710 1026690616 /nfs/dbraw/zinc/69/06/16/1026690616.db2.gz JFVJGFMLAUARMB-NRFANRHFSA-N 1 0 377.463 3.678 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4cc(F)cc(C#N)c4)C3)C2=O)c1 ZINC001139877080 1026693813 /nfs/dbraw/zinc/69/38/13/1026693813.db2.gz WZWILCZXNIOQEA-QHCPKHFHSA-N 1 0 377.463 3.630 20 30 GHEDRO N#C[C@@H](c1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nn1)c1ccccc1F ZINC001165323569 1026704421 /nfs/dbraw/zinc/70/44/21/1026704421.db2.gz LTEGSJIUANLATH-NQIIRXRSSA-N 1 0 379.483 3.630 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)nn2)cc1 ZINC001165349934 1026709075 /nfs/dbraw/zinc/70/90/75/1026709075.db2.gz KPBVYEFWEBFVQH-QNWVGRARSA-N 1 0 381.483 3.516 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccccc1-n1ccnc1C)CCO2 ZINC001140026545 1026814597 /nfs/dbraw/zinc/81/45/97/1026814597.db2.gz ZSEHEUQGWSXLIY-FYYLOGMGSA-N 1 0 381.520 3.754 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001140100171 1026878302 /nfs/dbraw/zinc/87/83/02/1026878302.db2.gz DRVAIVGGKMKKKT-IBGZPJMESA-N 1 0 393.325 3.688 20 30 GHEDRO Cc1nc(CN2CCC3(C[NH+](Cc4c[nH]c5ccc(C#N)cc45)C3)C2)cs1 ZINC001140113527 1026894563 /nfs/dbraw/zinc/89/45/63/1026894563.db2.gz HQQXITUJWMBZSB-UHFFFAOYSA-N 1 0 377.517 3.512 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001140114011 1026895648 /nfs/dbraw/zinc/89/56/48/1026895648.db2.gz HGYHNNRYHWSZHI-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO CC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001140117132 1026897997 /nfs/dbraw/zinc/89/79/97/1026897997.db2.gz LXTVBHVSPUQCNK-QFIPXVFZSA-N 1 0 388.515 3.762 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC(NC(=O)c4ccc(F)cc4)CC3)c2c1 ZINC001140117289 1026898289 /nfs/dbraw/zinc/89/82/89/1026898289.db2.gz OZDJNSRBJOYCCX-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO Cc1ccc(Cl)c(O[C@H]2CCCN(c3ncc4c(c3C#N)CCC[NH2+]C4)C2)c1 ZINC001166579547 1027032503 /nfs/dbraw/zinc/03/25/03/1027032503.db2.gz GMNLTNGRQLEPLI-KRWDZBQOSA-N 1 0 396.922 3.999 20 30 GHEDRO COC(=O)Cc1cc(Cl)nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C#N ZINC001166865302 1027117740 /nfs/dbraw/zinc/11/77/40/1027117740.db2.gz OXMBECSKYJHANJ-GOSISDBHSA-N 1 0 398.894 3.571 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166865068 1027117778 /nfs/dbraw/zinc/11/77/78/1027117778.db2.gz NZFHFXYOGAFDBJ-HXUWFJFHSA-N 1 0 378.476 3.687 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC001461214083 1069446140 /nfs/dbraw/zinc/44/61/40/1069446140.db2.gz CAZMTPFEGDNNAQ-KRWDZBQOSA-N 1 0 399.336 3.755 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC(C)(C)C[C@@H]2C)c1=S ZINC000840183983 1027322032 /nfs/dbraw/zinc/32/20/32/1027322032.db2.gz PYORGHJUHYCHSG-KRWDZBQOSA-N 1 0 377.602 3.706 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC001461223387 1069450232 /nfs/dbraw/zinc/45/02/32/1069450232.db2.gz BCDTWHINAMWPFX-UHFFFAOYSA-N 1 0 399.498 3.586 20 30 GHEDRO C=CC(C)(C)CCC[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203572963 1027441263 /nfs/dbraw/zinc/44/12/63/1027441263.db2.gz SQSPYTWXADENQQ-KRWDZBQOSA-N 1 0 391.560 3.932 20 30 GHEDRO N#CCOc1cccc(CC(=O)OCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000840388358 1027504971 /nfs/dbraw/zinc/50/49/71/1027504971.db2.gz SSOOVKATTRULEH-UHFFFAOYSA-N 1 0 378.472 3.861 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccc(C#N)c3)O2)cs1 ZINC001203762544 1027583870 /nfs/dbraw/zinc/58/38/70/1027583870.db2.gz ROMMCEWFBXCRIY-NJDAHSKKSA-N 1 0 383.517 3.662 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH2+]C1CCN(c3ccc(C#N)cc3)CC1)C2 ZINC001203944977 1027740063 /nfs/dbraw/zinc/74/00/63/1027740063.db2.gz SFIRRJDYKSJERM-NJYVYQBISA-N 1 0 396.535 3.657 20 30 GHEDRO CCN1CC[C@]2(CCC[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C2)C1=O ZINC001141975737 1027789842 /nfs/dbraw/zinc/78/98/42/1027789842.db2.gz IGWVEKNCLAZROL-QHCPKHFHSA-N 1 0 378.541 3.982 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000840760966 1027803433 /nfs/dbraw/zinc/80/34/33/1027803433.db2.gz LVNFCMOZEUHPIX-MRXNPFEDSA-N 1 0 386.442 3.664 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(C)c(Br)c3F)CC2)C1=O ZINC001276438489 1027848043 /nfs/dbraw/zinc/84/80/43/1027848043.db2.gz HKHJBQZEIVJQIR-UHFFFAOYSA-N 1 0 395.316 3.897 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000841123076 1028173603 /nfs/dbraw/zinc/17/36/03/1028173603.db2.gz PPRCQDZRMVLVMC-PXAZEXFGSA-N 1 0 390.365 3.731 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1Oc1ccccc1 ZINC000841201056 1028271948 /nfs/dbraw/zinc/27/19/48/1028271948.db2.gz KFUVJHJTCVJBAB-UHFFFAOYSA-N 1 0 376.460 3.958 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CC)cc2)cc1Cl ZINC001461464927 1069561626 /nfs/dbraw/zinc/56/16/26/1069561626.db2.gz XQZDHPFRHBUXGC-UHFFFAOYSA-N 1 0 379.909 3.988 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000841865857 1028981551 /nfs/dbraw/zinc/98/15/51/1028981551.db2.gz WNGZIZIXOBEBDG-BAGYTPMASA-N 1 0 379.479 3.583 20 30 GHEDRO FC1(F)CCC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000842522263 1029364028 /nfs/dbraw/zinc/36/40/28/1029364028.db2.gz MGTZURXZLQLRCS-UHFFFAOYSA-N 1 0 380.508 3.680 20 30 GHEDRO C#Cc1nc(Br)cnc1Nc1cc(C[NH+](CC)CC)ccc1F ZINC001215724475 1029369138 /nfs/dbraw/zinc/36/91/38/1029369138.db2.gz NIUOYDXAQFVTIN-UHFFFAOYSA-N 1 0 377.261 3.945 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1 ZINC001461522452 1069591024 /nfs/dbraw/zinc/59/10/24/1069591024.db2.gz QNXHGGOFBDLDEA-OAHLLOKOSA-N 1 0 386.414 3.634 20 30 GHEDRO CCCC[N@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)[C@H]1CCc2ncsc2C1 ZINC000842644073 1029449086 /nfs/dbraw/zinc/44/90/86/1029449086.db2.gz DACAEUMIKPPSQS-KRWDZBQOSA-N 1 0 396.560 3.672 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)Cc2csc(SCC[NH+](C)C)n2)cc1 ZINC001142839196 1029559163 /nfs/dbraw/zinc/55/91/63/1029559163.db2.gz GNUZXZLAZOMAOI-UHFFFAOYSA-N 1 0 388.562 3.595 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@]4(CC(=O)N(c5ccc(F)cc5)C4)C3)c[nH]c2c1 ZINC001142917083 1029690324 /nfs/dbraw/zinc/69/03/24/1029690324.db2.gz RGZJRUVOLDQFCO-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO N#Cc1ccc2c(CN3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c[nH]c2c1 ZINC001142929107 1029710613 /nfs/dbraw/zinc/71/06/13/1029710613.db2.gz VWJNOUYXZYEDJH-PZJWPPBQSA-N 1 0 390.462 3.516 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1occc1Br)[C@@H]2CC ZINC001143119719 1029855586 /nfs/dbraw/zinc/85/55/86/1029855586.db2.gz TUMQGTZZNJGDBE-AEFFLSMTSA-N 1 0 381.314 3.964 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@H]21 ZINC001143170655 1029881184 /nfs/dbraw/zinc/88/11/84/1029881184.db2.gz JEOCCFXFQOKVSP-LRXVAGHRSA-N 1 0 396.485 3.964 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OCC)c(F)c1F)CC2 ZINC001143274304 1029975053 /nfs/dbraw/zinc/97/50/53/1029975053.db2.gz CNFBMXUVDVEYDC-NRFANRHFSA-N 1 0 378.463 3.897 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)C1 ZINC000843424635 1029996527 /nfs/dbraw/zinc/99/65/27/1029996527.db2.gz XVTNHVOPQWKOSM-HXUWFJFHSA-N 1 0 398.547 3.712 20 30 GHEDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)C[C@]2(C)C1 ZINC001149670626 1030265058 /nfs/dbraw/zinc/26/50/58/1030265058.db2.gz GNTXETFHDYQVTK-ZEQRLZLVSA-N 1 0 389.499 3.551 20 30 GHEDRO C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](OC[C@H]3CC[C@]4(C[NH2+]CCOC4)O3)[C@@H]12 ZINC001217883926 1030669074 /nfs/dbraw/zinc/66/90/74/1030669074.db2.gz KOENPRQDGOBWBV-WGUXZRIYSA-N 1 0 399.531 3.568 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001217985804 1030705508 /nfs/dbraw/zinc/70/55/08/1030705508.db2.gz CQIBVMRFWNIZFR-PMHQQPIMSA-N 1 0 379.504 3.697 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217984316 1030706075 /nfs/dbraw/zinc/70/60/75/1030706075.db2.gz MPLYRZZDDMDXDD-FPOVZHCZSA-N 1 0 397.446 3.868 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CC[NH2+]CC[C@@H]3F)c3ccccc23)ccc1F ZINC001218016891 1030724500 /nfs/dbraw/zinc/72/45/00/1030724500.db2.gz HIKJKYGBGDJBQB-PZJWPPBQSA-N 1 0 394.425 3.700 20 30 GHEDRO C[C@@H]1C[C@@H](Oc2ccc(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)cc2)C[NH2+]1 ZINC001218038023 1030737252 /nfs/dbraw/zinc/73/72/52/1030737252.db2.gz XJLPVXJLSSUWAS-BGUFOLLASA-N 1 0 391.467 3.776 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001223764693 1030742883 /nfs/dbraw/zinc/74/28/83/1030742883.db2.gz PDFCGQSRJGMMAU-VGOFRKELSA-N 1 0 378.472 3.772 20 30 GHEDRO C=CCc1c(O[C@H]2CC[NH2+][C@@H](C)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218054255 1030745351 /nfs/dbraw/zinc/74/53/51/1030745351.db2.gz YHPSUAXNAPIRHY-WMZOPIPTSA-N 1 0 375.472 3.634 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2CC[NH2+]C[C@@H]2F)c(OC)c1 ZINC001218069365 1030754534 /nfs/dbraw/zinc/75/45/34/1030754534.db2.gz IAEWCOLPODPGEK-QOEWUMFVSA-N 1 0 391.483 3.896 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090864 1030765948 /nfs/dbraw/zinc/76/59/48/1030765948.db2.gz IYFOFJSLHVCZAH-BFXQORNBSA-N 1 0 391.515 3.841 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2ccccc2O[C@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001218100905 1030772345 /nfs/dbraw/zinc/77/23/45/1030772345.db2.gz ZAWUKBYGWRGDEN-VEGGFIAOSA-N 1 0 381.497 3.818 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218122829 1030785357 /nfs/dbraw/zinc/78/53/57/1030785357.db2.gz JKQGIECZHCBYHA-URXFXBBRSA-N 1 0 391.467 3.920 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c1 ZINC001218150589 1030798489 /nfs/dbraw/zinc/79/84/89/1030798489.db2.gz MUIFMTOPTKQNMJ-XCEDWVMRSA-N 1 0 379.456 3.587 20 30 GHEDRO CCCCCCCC(=O)c1c(CC(=O)OCC)cc(O)cc1O[C@H]1CC[NH2+]C1 ZINC001218182664 1030810496 /nfs/dbraw/zinc/81/04/96/1030810496.db2.gz YKOQSLYLYLIBTF-SFHVURJKSA-N 1 0 391.508 3.782 20 30 GHEDRO COC(=O)C[C@H]([NH3+])c1cccc(O[C@H](C)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC001218196286 1030820054 /nfs/dbraw/zinc/82/00/54/1030820054.db2.gz ITWOSSKKKAMLLL-KCJUWKMLSA-N 1 0 391.283 3.850 20 30 GHEDRO CCOC(=O)c1c2cc(O[C@@H]3C[NH2+]C[C@H]3C#N)ccc2oc1-c1ccccc1 ZINC001218200868 1030821718 /nfs/dbraw/zinc/82/17/18/1030821718.db2.gz NZTVYBZHKJPLQE-DNVCBOLYSA-N 1 0 376.412 3.767 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc2c(c1)[C@@H]1CCC[C@@H]1[C@H](c1ccc(O)cc1)O2 ZINC001218203673 1030827156 /nfs/dbraw/zinc/82/71/56/1030827156.db2.gz RWGVCLQECJTKJF-KIOQNQGASA-N 1 0 376.456 3.900 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(Br)cc(C(C)=O)cc1Br ZINC001218209533 1030831125 /nfs/dbraw/zinc/83/11/25/1030831125.db2.gz ZZHLGJLQPGJIIS-CYBMUJFWSA-N 1 0 389.087 3.711 20 30 GHEDRO C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC001218215327 1030834864 /nfs/dbraw/zinc/83/48/64/1030834864.db2.gz HMTQMMNSCBYGNB-INIZCTEOSA-N 1 0 389.471 3.765 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)cc2)cc1 ZINC001218246960 1030850715 /nfs/dbraw/zinc/85/07/15/1030850715.db2.gz BXMLHYPFMJJUCV-ZWDAVXSWSA-N 1 0 399.512 3.604 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)c2)cc1OC ZINC001218330079 1030896899 /nfs/dbraw/zinc/89/68/99/1030896899.db2.gz JZBITHZWTHHRQO-QKCASZRSSA-N 1 0 379.456 3.587 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001224170837 1030910547 /nfs/dbraw/zinc/91/05/47/1030910547.db2.gz RBZIWOKLZYIXET-VGOFRKELSA-N 1 0 378.472 3.772 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001218403284 1030921969 /nfs/dbraw/zinc/92/19/69/1030921969.db2.gz XIWPMKXBZFEWGR-APWZRJJASA-N 1 0 379.456 3.918 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC001218418823 1030931517 /nfs/dbraw/zinc/93/15/17/1030931517.db2.gz WZTXYCYCGVPAHV-NBLXLWJJSA-N 1 0 381.472 3.977 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Br)cc(C)nc1Br ZINC001218454698 1030943332 /nfs/dbraw/zinc/94/33/32/1030943332.db2.gz AOGOMHGGHRAUBC-VXGBXAGGSA-N 1 0 390.119 3.991 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218463636 1030947528 /nfs/dbraw/zinc/94/75/28/1030947528.db2.gz IQPKRJNCOHMLHJ-LCMDKWPNSA-N 1 0 379.456 3.674 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3C[NH2+]CC[C@H]3C)c2)cc1OC ZINC001218483743 1030956613 /nfs/dbraw/zinc/95/66/13/1030956613.db2.gz BNHUDZLOESMFHI-CBGLQHLISA-N 1 0 381.472 3.977 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001218541205 1030979371 /nfs/dbraw/zinc/97/93/71/1030979371.db2.gz IEJUJDKHQQKHLL-SJLPKXTDSA-N 1 0 398.507 3.581 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC001218542729 1030980505 /nfs/dbraw/zinc/98/05/05/1030980505.db2.gz WPFKTOKVPJASEK-UHFFFAOYSA-N 1 0 379.407 3.999 20 30 GHEDRO CNc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001218929094 1031157474 /nfs/dbraw/zinc/15/74/74/1031157474.db2.gz GIQPNJDSZBBMIX-CVEARBPZSA-N 1 0 388.393 3.560 20 30 GHEDRO C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219310423 1031351100 /nfs/dbraw/zinc/35/11/00/1031351100.db2.gz CTSVURLGHXONKY-UTKZUKDTSA-N 1 0 380.564 3.787 20 30 GHEDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccc(C#N)cc4)cc3)C[C@H]1[N@@H+]2C ZINC001225333599 1031352669 /nfs/dbraw/zinc/35/26/69/1031352669.db2.gz IOEAJRMJWWSJKW-KZKAQZJJSA-N 1 0 376.456 3.771 20 30 GHEDRO Cc1cc(NC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)ncc1C#N ZINC001219692670 1031560497 /nfs/dbraw/zinc/56/04/97/1031560497.db2.gz RXQDRDRXEIEPMQ-UHFFFAOYSA-N 1 0 385.471 3.762 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ncc1C#N ZINC001219692929 1031560540 /nfs/dbraw/zinc/56/05/40/1031560540.db2.gz XLWVMLGIHOYQNS-SVFBPWRDSA-N 1 0 389.503 3.684 20 30 GHEDRO N#CC1(NC(=O)c2c(O)ccc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001153510207 1031625142 /nfs/dbraw/zinc/62/51/42/1031625142.db2.gz MBCWBXMGTICSLD-UHFFFAOYSA-N 1 0 385.467 3.834 20 30 GHEDRO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1C#N ZINC001219840472 1031649621 /nfs/dbraw/zinc/64/96/21/1031649621.db2.gz AWEOSUSXTJUSLC-QGZVFWFLSA-N 1 0 378.476 3.553 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1c(C)cccc1Br)CC2 ZINC001276809134 1031699720 /nfs/dbraw/zinc/69/97/20/1031699720.db2.gz AFKUZGOGUXJAFK-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC001219997058 1031737328 /nfs/dbraw/zinc/73/73/28/1031737328.db2.gz KICLFARTWZRWQZ-HVYHFYHMSA-N 1 0 377.532 3.582 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(C)c1C)C2 ZINC001277099292 1031788124 /nfs/dbraw/zinc/78/81/24/1031788124.db2.gz YKHYBLKYYPJMES-NRFANRHFSA-N 1 0 376.928 3.584 20 30 GHEDRO N#Cc1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC001226139745 1031808181 /nfs/dbraw/zinc/80/81/81/1031808181.db2.gz GLBQGCGIPIPBEY-GOSISDBHSA-N 1 0 376.378 3.857 20 30 GHEDRO CSc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001277107348 1031846008 /nfs/dbraw/zinc/84/60/08/1031846008.db2.gz NIEAVPVDFSAPIF-IAGOWNOFSA-N 1 0 377.941 3.931 20 30 GHEDRO Cc1cccc2c1C1(C[C@@H]2CC(=O)NC2=CC(=O)CC(C)(C)C2)CC[NH2+]CC1 ZINC001220413398 1031931635 /nfs/dbraw/zinc/93/16/35/1031931635.db2.gz HWLQYAZXEMNUHF-KRWDZBQOSA-N 1 0 380.532 3.883 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001226550790 1032008806 /nfs/dbraw/zinc/00/88/06/1032008806.db2.gz UHEJRPDNJGVRAC-FQEVSTJZSA-N 1 0 379.504 3.921 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2cc(Br)ccc2C1 ZINC001220646189 1032043356 /nfs/dbraw/zinc/04/33/56/1032043356.db2.gz OBAQSADKPWSLGR-MSOLQXFVSA-N 1 0 379.342 3.886 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(-c2ccccc2)oc2ccc(O)cc2c1=O ZINC001229258708 1033373383 /nfs/dbraw/zinc/37/33/83/1033373383.db2.gz DGQQLZNKRQVBLO-QGZVFWFLSA-O 1 0 379.436 3.533 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1OC1CC[NH+](C2CC2)CC1 ZINC001229267595 1033380145 /nfs/dbraw/zinc/38/01/45/1033380145.db2.gz DUYKXCAEBHMEAF-XCVCLJGOSA-N 1 0 379.456 4.000 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2ncnc3ccc(C#N)cc32)CC1 ZINC001157066142 1033399245 /nfs/dbraw/zinc/39/92/45/1033399245.db2.gz CBPIJRXDVVFGQJ-UHFFFAOYSA-N 1 0 375.451 3.741 20 30 GHEDRO CC(C)(C)Oc1ccc(NC(=O)NCCCCc2cc[nH+]c(N)c2)cc1C#N ZINC001205452084 1033419699 /nfs/dbraw/zinc/41/96/99/1033419699.db2.gz QJVGGPLLENJPAF-UHFFFAOYSA-N 1 0 381.480 3.857 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001205479286 1033431844 /nfs/dbraw/zinc/43/18/44/1033431844.db2.gz ZGWKGHWAXQJQFR-AVCGJXAMSA-N 1 0 378.495 3.825 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001157165620 1033442341 /nfs/dbraw/zinc/44/23/41/1033442341.db2.gz MDFPDXOMOBEEJP-GCJKJVERSA-N 1 0 384.483 3.776 20 30 GHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC001205528658 1033455753 /nfs/dbraw/zinc/45/57/53/1033455753.db2.gz POMFPVBYBBGQQD-OAHLLOKOSA-N 1 0 392.569 3.882 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[N@H+](CC)C3)c(C#N)c2)nc1C ZINC001229533938 1033544540 /nfs/dbraw/zinc/54/45/40/1033544540.db2.gz PLVHQHSMCWYJBW-MRXNPFEDSA-N 1 0 385.489 3.640 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)cnc1Cl ZINC001157434903 1033585719 /nfs/dbraw/zinc/58/57/19/1033585719.db2.gz NVLDVGDYPMUYAQ-KRWDZBQOSA-N 1 0 376.838 3.910 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CCCC[C@]23CCC[NH2+]C3)c1C#N ZINC001157471714 1033608410 /nfs/dbraw/zinc/60/84/10/1033608410.db2.gz NEUMUDVBHYQDOX-OAQYLSRUSA-N 1 0 379.533 3.850 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC001229689951 1033644151 /nfs/dbraw/zinc/64/41/51/1033644151.db2.gz AKLMJNNAYYVWTC-PYJQOMOHSA-N 1 0 397.471 3.864 20 30 GHEDRO N#Cc1ccc2ccnc(N(c3nccc(C(F)(F)F)n3)C3CC[NH2+]CC3)c2c1 ZINC001157535314 1033645704 /nfs/dbraw/zinc/64/57/04/1033645704.db2.gz LNJMZIXETMAQLN-UHFFFAOYSA-N 1 0 398.392 3.805 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)no1 ZINC001206100061 1033718763 /nfs/dbraw/zinc/71/87/63/1033718763.db2.gz ISHMOUZTZIACIO-UHFFFAOYSA-N 1 0 395.484 3.678 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@H]2C1 ZINC001157700505 1033729879 /nfs/dbraw/zinc/72/98/79/1033729879.db2.gz RHZXBAITJYJNBV-IYBDPMFKSA-N 1 0 383.883 3.572 20 30 GHEDRO C[C@@H]1[C@H]([NH3+])CCCN1c1nc(C#C[Si](C)(C)C)ccc1NC(=O)C(C)(C)C ZINC001157748033 1033751650 /nfs/dbraw/zinc/75/16/50/1033751650.db2.gz WMKWJJYKRIBKEV-NVXWUHKLSA-N 1 0 386.616 3.611 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)cc1F ZINC001206294470 1033786005 /nfs/dbraw/zinc/78/60/05/1033786005.db2.gz VSQICFZRPQBYMU-UHFFFAOYSA-N 1 0 381.451 3.836 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC001206336028 1033802048 /nfs/dbraw/zinc/80/20/48/1033802048.db2.gz OFCXUZNIFAZJOY-GOSISDBHSA-N 1 0 396.915 3.923 20 30 GHEDRO Cc1cnc(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)c(/C=N/O)c1 ZINC001158091891 1033910519 /nfs/dbraw/zinc/91/05/19/1033910519.db2.gz KQUHNOMIIPWDKP-KIBLKLHPSA-N 1 0 379.386 3.502 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[N@@H+]1Cc1ccccc1 ZINC001230216688 1033947139 /nfs/dbraw/zinc/94/71/39/1033947139.db2.gz DPUXQHRJRAAELX-FRGLQRNOSA-N 1 0 388.515 3.898 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158271604 1033996605 /nfs/dbraw/zinc/99/66/05/1033996605.db2.gz XSJFFGOLPNVKFN-DJJJIMSYSA-N 1 0 378.904 3.739 20 30 GHEDRO CCCc1cc(C#N)c(N(c2cc(OC)ccn2)C2CC[NH2+]CC2)nc1Cl ZINC001158322727 1034023218 /nfs/dbraw/zinc/02/32/18/1034023218.db2.gz JSOIULWXVNCVGQ-UHFFFAOYSA-N 1 0 385.899 3.853 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@@H](C)C[NH+](C)C)cc1 ZINC001230436867 1034055335 /nfs/dbraw/zinc/05/53/35/1034055335.db2.gz WMUICOWEQDUOOZ-YHVDPYDOSA-N 1 0 399.487 3.937 20 30 GHEDRO N#Cc1c(NCCc2ccc(OC(F)(F)F)cc2)ncc2c1CCC[NH2+]C2 ZINC001158457923 1034088483 /nfs/dbraw/zinc/08/84/83/1034088483.db2.gz CLJFGMAWPZRXDM-UHFFFAOYSA-N 1 0 376.382 3.542 20 30 GHEDRO COc1ccc([C@@H](C[N@H+](C)Cc2cc(C#N)n(C)c2)C2(O)CCCCC2)cc1 ZINC001207110663 1034096521 /nfs/dbraw/zinc/09/65/21/1034096521.db2.gz QHFTVVSVVZYXFB-JOCHJYFZSA-N 1 0 381.520 3.816 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(Br)ccc1OC(F)(F)F ZINC001230566183 1034124145 /nfs/dbraw/zinc/12/41/45/1034124145.db2.gz NSBXDVJMIJATOE-LLVKDONJSA-N 1 0 382.200 3.715 20 30 GHEDRO C=CCN(CC[NH+]1CCC(Oc2ccccc2C#N)CC1)C(=O)OC(C)(C)C ZINC001207203760 1034171129 /nfs/dbraw/zinc/17/11/29/1034171129.db2.gz PBOFGWIMIWQQOH-UHFFFAOYSA-N 1 0 385.508 3.825 20 30 GHEDRO C=CCN(CC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001207203372 1034171336 /nfs/dbraw/zinc/17/13/36/1034171336.db2.gz ACNRPGMOQNRPRO-QGZVFWFLSA-N 1 0 397.560 3.789 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(C[NH+]3CCC(C#N)(c4ccccc4)CC3)(C1)C2 ZINC001207260121 1034218150 /nfs/dbraw/zinc/21/81/50/1034218150.db2.gz QSMDFLXBBWQMCM-UHFFFAOYSA-N 1 0 381.520 3.991 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)(C1)C2 ZINC001207269715 1034223816 /nfs/dbraw/zinc/22/38/16/1034223816.db2.gz XOUFZBPLYKBFOC-BVVFMGSASA-N 1 0 397.519 3.849 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3ccnc(OC)c3Cl)CC2)C1=O ZINC001277485828 1034392744 /nfs/dbraw/zinc/39/27/44/1034392744.db2.gz PUWDIBSICDEUHT-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO CCOC(=O)c1sc2ncccc2c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159204935 1034480997 /nfs/dbraw/zinc/48/09/97/1034480997.db2.gz HDKJKDJTMAUBEY-UHFFFAOYSA-N 1 0 378.457 3.775 20 30 GHEDRO O=c1[nH]c(=S)[nH]c(Nc2cccc3c2CC[NH2+]C3)c1N=Cc1ccccc1 ZINC001159260591 1034508247 /nfs/dbraw/zinc/50/82/47/1034508247.db2.gz SJJVJWUFASHBLP-SSDVNMTOSA-N 1 0 377.473 3.611 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3cnc(Cl)c(OC)c3)CC2)C1=O ZINC001276543785 1034559526 /nfs/dbraw/zinc/55/95/26/1034559526.db2.gz XDWJOPZEILHMKT-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)C1 ZINC001207767891 1034565163 /nfs/dbraw/zinc/56/51/63/1034565163.db2.gz GLVDVVJJUOAPPK-LJQANCHMSA-N 1 0 385.508 3.658 20 30 GHEDRO Cn1cc(-c2cnc3ccc(Nc4cc(C#N)cc(C5C[NH2+]C5)c4)cc3c2)cn1 ZINC001159472448 1034611170 /nfs/dbraw/zinc/61/11/70/1034611170.db2.gz KDGHEKMGHUEOLY-UHFFFAOYSA-N 1 0 380.455 3.937 20 30 GHEDRO N#Cc1cc(C(F)(F)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc(Cl)n1 ZINC001159545706 1034656119 /nfs/dbraw/zinc/65/61/19/1034656119.db2.gz MJTCTKGKWCVGFC-UHFFFAOYSA-N 1 0 380.870 3.885 20 30 GHEDRO C#C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC001159634834 1034698938 /nfs/dbraw/zinc/69/89/38/1034698938.db2.gz SFTIMCYXFGLDNF-LPHOPBHVSA-N 1 0 389.337 3.894 20 30 GHEDRO CC(C)Oc1c(F)cc(F)c(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1F ZINC001159748663 1034731057 /nfs/dbraw/zinc/73/10/57/1034731057.db2.gz HOAQKADKHRUGSP-UHFFFAOYSA-N 1 0 390.409 3.916 20 30 GHEDRO Cc1cc(OCc2ccccc2)ncc1Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001159749144 1034732296 /nfs/dbraw/zinc/73/22/96/1034732296.db2.gz YIAVHEIQJWNMDU-UHFFFAOYSA-N 1 0 399.498 3.994 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001208177730 1034777444 /nfs/dbraw/zinc/77/74/44/1034777444.db2.gz YCINGBDGWWUMPQ-FYYLOGMGSA-N 1 0 382.552 3.698 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC001208209531 1034801707 /nfs/dbraw/zinc/80/17/07/1034801707.db2.gz PMSLNWFTDPNSEQ-FDDCHVKYSA-N 1 0 384.520 3.627 20 30 GHEDRO N#Cc1cc(NCc2ccccc2N2CC[NH2+]CC2)nc2ccc(Cl)cc12 ZINC001160115408 1034867561 /nfs/dbraw/zinc/86/75/61/1034867561.db2.gz IVVOOYUNLPFFQS-UHFFFAOYSA-N 1 0 377.879 3.782 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)c1ccccc1N(CC(C)C)C2=O ZINC001160287054 1034928046 /nfs/dbraw/zinc/92/80/46/1034928046.db2.gz UERCFJHDNZTUKO-GBXCKJPGSA-N 1 0 397.563 3.623 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)cc1 ZINC001231821805 1034929194 /nfs/dbraw/zinc/92/91/94/1034929194.db2.gz NEXQXDMFELYIPY-LJQANCHMSA-N 1 0 394.494 3.570 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Br)c3)C2)C1=O ZINC001276569229 1034935310 /nfs/dbraw/zinc/93/53/10/1034935310.db2.gz MRSOPGFGCJRWHT-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO CC(C)(C)OC(=O)N1C(C[NH+]2CCC(C#Cc3ccccc3)CC2)=CS[C@@H]1N ZINC001208655138 1034970060 /nfs/dbraw/zinc/97/00/60/1034970060.db2.gz KWNREJBRBVGGTK-HXUWFJFHSA-N 1 0 399.560 3.818 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001160477990 1034986796 /nfs/dbraw/zinc/98/67/96/1034986796.db2.gz VRABAWQBQKVDDK-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC001160552883 1035001253 /nfs/dbraw/zinc/00/12/53/1035001253.db2.gz XQBWQUDNLVQJEI-GOSISDBHSA-N 1 0 398.304 3.533 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@H]3C[C@H](c4ccccc4)CC[NH2+]3)CC2)cc1 ZINC001160569415 1035004753 /nfs/dbraw/zinc/00/47/53/1035004753.db2.gz QDYYZCVJCPLHIM-DNQXCXABSA-N 1 0 387.527 3.875 20 30 GHEDRO N#Cc1ccc2ncnc(N[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3[NH3+])c2c1 ZINC001160632516 1035021211 /nfs/dbraw/zinc/02/12/11/1035021211.db2.gz JKQHXCMBUGHEMW-MXXWWZHRSA-N 1 0 389.462 3.900 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1ncc(Br)cc1F)CC2 ZINC001231986512 1035024695 /nfs/dbraw/zinc/02/46/95/1035024695.db2.gz BVZLFTXCEIELKG-SFHVURJKSA-N 1 0 396.304 3.516 20 30 GHEDRO C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)N(CCC#N)Cc1ccc(Cl)cc1 ZINC001160740168 1035050537 /nfs/dbraw/zinc/05/05/37/1035050537.db2.gz YHZBWSARQDMVCU-UZLBHIALSA-N 1 0 385.895 3.515 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1F ZINC001160742828 1035052515 /nfs/dbraw/zinc/05/25/15/1035052515.db2.gz WGJVWIBIVXELQL-SMDDNHRTSA-N 1 0 399.779 3.760 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc2)cc1 ZINC001160744412 1035053393 /nfs/dbraw/zinc/05/33/93/1035053393.db2.gz RHDQQAZPGVRTNS-MSOLQXFVSA-N 1 0 390.409 3.679 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](CCCc4ccc(C#N)cc4)C3)CC2=O)cc1 ZINC001208855707 1035060919 /nfs/dbraw/zinc/06/09/19/1035060919.db2.gz FWNSVASAIUPCPQ-DEOSSOPVSA-N 1 0 389.499 3.628 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)cc1 ZINC001208858583 1035062546 /nfs/dbraw/zinc/06/25/46/1035062546.db2.gz NJSPRLNTJZFSFS-UHFFFAOYSA-N 1 0 377.463 3.759 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208859897 1035063827 /nfs/dbraw/zinc/06/38/27/1035063827.db2.gz DOENNYFETUYMDL-UHFFFAOYSA-N 1 0 381.520 3.991 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cc1 ZINC001208861198 1035064210 /nfs/dbraw/zinc/06/42/10/1035064210.db2.gz FNPPOXZPQPHYSY-HSZRJFAPSA-N 1 0 395.453 3.898 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(-n2cc(C(C)(C)C[NH3+])c3ccccc32)n1 ZINC001160842492 1035077770 /nfs/dbraw/zinc/07/77/70/1035077770.db2.gz GTRIUGJQRFXEAY-ODCIPOBUSA-N 1 0 389.912 3.840 20 30 GHEDRO CC1(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)CCCCC1 ZINC001208897300 1035080251 /nfs/dbraw/zinc/08/02/51/1035080251.db2.gz WUWNHDLOCZNXKU-QHCPKHFHSA-N 1 0 382.552 3.842 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908194 1035085041 /nfs/dbraw/zinc/08/50/41/1035085041.db2.gz KDKOIXYQRREVLL-ZEQRLZLVSA-N 1 0 384.564 3.977 20 30 GHEDRO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](CCc4ccc(C#N)cc4)C[C@H]2C3)c1 ZINC001208923840 1035090764 /nfs/dbraw/zinc/09/07/64/1035090764.db2.gz UDGXCUPYROJOJP-IRLDBZIGSA-N 1 0 398.510 3.782 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208952410 1035124996 /nfs/dbraw/zinc/12/49/96/1035124996.db2.gz SBZILGPEOIFVRX-KMDXXIMOSA-N 1 0 384.564 3.582 20 30 GHEDRO CC(=O)N1CCC[C@H](C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)C1 ZINC001208972729 1035135409 /nfs/dbraw/zinc/13/54/09/1035135409.db2.gz FDBYTHLYYOUYTG-XMMPIXPASA-N 1 0 386.499 3.691 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]1CC[C@H](C(=O)OCC)CC1)[C@H]2CC ZINC001209000081 1035143199 /nfs/dbraw/zinc/14/31/99/1035143199.db2.gz MJMOXXJKQLUGLY-MXBUBSDBSA-N 1 0 390.568 3.778 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(NC(C)=O)cc3C)CC2)C1 ZINC001232184454 1035150967 /nfs/dbraw/zinc/15/09/67/1035150967.db2.gz PJQDWCKSQVRMDV-UHFFFAOYSA-N 1 0 399.535 3.954 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(NC(C)=O)cc3C)C2)CC1 ZINC001232184471 1035151193 /nfs/dbraw/zinc/15/11/93/1035151193.db2.gz QBHGZSKWFAYHJB-UHFFFAOYSA-N 1 0 399.535 3.954 20 30 GHEDRO C=CCN(CC[NH+]1CCC2(CC1)OCc1cc(Cl)ccc12)C(=O)OCC ZINC001209020801 1035152420 /nfs/dbraw/zinc/15/24/20/1035152420.db2.gz NYXMFRLCFOVBRH-UHFFFAOYSA-N 1 0 378.900 3.806 20 30 GHEDRO COc1cc(C(F)(F)NC2CC[NH+](CC(C)(C)C)CC2)c(C#N)c(Cl)n1 ZINC001161208837 1035180906 /nfs/dbraw/zinc/18/09/06/1035180906.db2.gz NWNAOPBDPICHGG-UHFFFAOYSA-N 1 0 386.874 3.765 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)NCC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC001161243191 1035189793 /nfs/dbraw/zinc/18/97/93/1035189793.db2.gz MFYVAKAMJAUYFZ-UHFFFAOYSA-N 1 0 391.853 3.553 20 30 GHEDRO C=CCCC[NH+]1CCC2(C[C@H](CC(=O)N3CCN(C)CC3)c3ccccc32)CC1 ZINC001209161930 1035196619 /nfs/dbraw/zinc/19/66/19/1035196619.db2.gz PDPOFIBXYCDDQJ-NRFANRHFSA-N 1 0 395.591 3.638 20 30 GHEDRO N#CC[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001209331124 1035243510 /nfs/dbraw/zinc/24/35/10/1035243510.db2.gz ZKRJEQYCTFJFHN-HKUYNNGSSA-N 1 0 394.441 3.529 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2OC[C@@H](C(=O)Nc3cnccn3)C[C@H]2C1 ZINC001209442061 1035275161 /nfs/dbraw/zinc/27/51/61/1035275161.db2.gz SBNPLSPSOUKKLU-SLFFLAALSA-N 1 0 386.540 3.669 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001209443598 1035275984 /nfs/dbraw/zinc/27/59/84/1035275984.db2.gz WMBCJHKTFMRCTD-GIWBLDEGSA-N 1 0 392.584 3.774 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cccc(C(F)(F)F)c3F)no2)c1 ZINC001248155322 1035581426 /nfs/dbraw/zinc/58/14/26/1035581426.db2.gz PGAYMFSMNYGQDO-CYBMUJFWSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cccc(F)c3C(F)(F)F)no2)c1 ZINC001248156482 1035582560 /nfs/dbraw/zinc/58/25/60/1035582560.db2.gz XWJBPPRTHMNXQM-CYBMUJFWSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC001248156697 1035583296 /nfs/dbraw/zinc/58/32/96/1035583296.db2.gz BHHNFRKFKNNHQO-OAHLLOKOSA-N 1 0 388.349 3.619 20 30 GHEDRO Cc1cc(Br)ccc1-c1noc(C[C@@H]([NH3+])Cc2ccc(C#N)cc2)n1 ZINC001248157566 1035583997 /nfs/dbraw/zinc/58/39/97/1035583997.db2.gz RQENIHGBDKHJBG-INIZCTEOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(C[C@@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)n2)c1 ZINC001248159782 1035587410 /nfs/dbraw/zinc/58/74/10/1035587410.db2.gz TVDGVXFVZVSAIV-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC001248179091 1035606930 /nfs/dbraw/zinc/60/69/30/1035606930.db2.gz DUIJGPLFIFTWHJ-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO N#CCc1ccc(OCc2ccc(-c3ccc(CN4CC[NH2+]CC4)cc3)nc2)cc1 ZINC001241976710 1035772255 /nfs/dbraw/zinc/77/22/55/1035772255.db2.gz BBIRHVPJJXWULD-UHFFFAOYSA-N 1 0 398.510 3.799 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-c2ccc(OCC[NH+](C)C)cc2)n1 ZINC001242149291 1035834320 /nfs/dbraw/zinc/83/43/20/1035834320.db2.gz LUFFYWFQDGDSIH-OXYJFDKOSA-N 1 0 387.549 3.879 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001242179618 1035852255 /nfs/dbraw/zinc/85/22/55/1035852255.db2.gz QCNCCWDKPBSUDL-UHFFFAOYSA-N 1 0 388.533 3.515 20 30 GHEDRO CC1(C)CC(=O)C=C(c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)C1 ZINC001242316722 1035880630 /nfs/dbraw/zinc/88/06/30/1035880630.db2.gz KQLQUGVKTCAQMU-QGZVFWFLSA-N 1 0 392.503 3.969 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(-c2cnn(C3CC[NH+](C)CC3)c2)c1C#N ZINC001242727368 1035948223 /nfs/dbraw/zinc/94/82/23/1035948223.db2.gz ZYQBVBXUMHVTRW-UHFFFAOYSA-N 1 0 390.516 3.867 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)NCC#C[C@H]1CCCCO1)c1ccc(Cl)cc1 ZINC001248627704 1036003932 /nfs/dbraw/zinc/00/39/32/1036003932.db2.gz AYPOMKRBHWLAOD-WOJBJXKFSA-N 1 0 391.943 3.595 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC001248750455 1036107915 /nfs/dbraw/zinc/10/79/15/1036107915.db2.gz KIWRZVOOXOSRFB-QFIPXVFZSA-N 1 0 394.544 3.510 20 30 GHEDRO CC(C)Oc1c(F)cc(F)c(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1F ZINC001243615669 1036220414 /nfs/dbraw/zinc/22/04/14/1036220414.db2.gz HAEHTDQPEHJVOS-UHFFFAOYSA-N 1 0 375.394 3.839 20 30 GHEDRO ON=C(N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001246163497 1037218184 /nfs/dbraw/zinc/21/81/84/1037218184.db2.gz YFENZITYQSNDTN-DOTOQJQBSA-N 1 0 379.382 3.804 20 30 GHEDRO C=CCCC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC001246655480 1037528601 /nfs/dbraw/zinc/52/86/01/1037528601.db2.gz VXOVLBMPSQSDFD-XZOQPEGZSA-N 1 0 398.595 3.894 20 30 GHEDRO CCCCCCCCNC(=S)N1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001247146784 1037946036 /nfs/dbraw/zinc/94/60/36/1037946036.db2.gz NRLUEDQNJXCNHQ-UHFFFAOYSA-N 1 0 379.618 3.774 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)c(Cl)cc1OC)C2 ZINC001232372302 1038146639 /nfs/dbraw/zinc/14/66/39/1038146639.db2.gz HUXKQLJNBPYFKT-NHCUHLMSSA-N 1 0 395.927 3.931 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+](Cc3cc(OCc4ccccc4)ccn3)C2)C1=O ZINC001232587263 1038358197 /nfs/dbraw/zinc/35/81/97/1038358197.db2.gz MLAZDSOOLGNUGS-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(C[C@@H]3COC4(C3)CC[NH2+]CC4)n2)cc1Cl ZINC001247836044 1038414643 /nfs/dbraw/zinc/41/46/43/1038414643.db2.gz OFYUFNVFFMBXPP-NSHDSACASA-N 1 0 393.274 3.616 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cncc4cnccc43)C[C@@H]2c2ccccc2)C1=O ZINC001232648514 1038434629 /nfs/dbraw/zinc/43/46/29/1038434629.db2.gz SKERBHPHUWLPQO-NOZRDPDXSA-N 1 0 398.510 3.634 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3C[C@]4(CO3)CCC[NH2+]C4)n2)cc1Cl ZINC001247929176 1038504178 /nfs/dbraw/zinc/50/41/78/1038504178.db2.gz IINFDLZBJKVGFJ-WMLDXEAASA-N 1 0 379.247 3.746 20 30 GHEDRO COC(=O)c1cccc2c(C[NH+]3CCC(Oc4ccccc4C#N)CC3)c[nH]c21 ZINC001232710504 1038509702 /nfs/dbraw/zinc/50/97/02/1038509702.db2.gz PHAYTJFRSFHFFP-UHFFFAOYSA-N 1 0 389.455 3.870 20 30 GHEDRO N#Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)nc3Cl)CC2)nc1 ZINC001232792425 1038559301 /nfs/dbraw/zinc/55/93/01/1038559301.db2.gz FWFADNOINHOEMJ-UHFFFAOYSA-N 1 0 395.816 3.733 20 30 GHEDRO C[NH+]1CCC(C2CCN(Cc3ccc(Br)c(C#N)c3)CC2)CC1 ZINC001232895583 1038687815 /nfs/dbraw/zinc/68/78/15/1038687815.db2.gz PTXWJVOOGPBKDI-UHFFFAOYSA-N 1 0 376.342 3.875 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC001462293726 1070150806 /nfs/dbraw/zinc/15/08/06/1070150806.db2.gz IYBPCXUSGHLTNR-QFIPXVFZSA-N 1 0 387.882 3.918 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c(C#N)c1 ZINC001232965774 1038739833 /nfs/dbraw/zinc/73/98/33/1038739833.db2.gz DVURRFSRIFVNHC-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c(C#N)c1 ZINC001232965430 1038740180 /nfs/dbraw/zinc/74/01/80/1038740180.db2.gz YWZXTPCGGVNTTQ-JOCHJYFZSA-N 1 0 391.515 3.959 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c(C#N)c1 ZINC001232965611 1038740318 /nfs/dbraw/zinc/74/03/18/1038740318.db2.gz BULSEDSNBJFCKY-VWLOTQADSA-N 1 0 396.494 3.998 20 30 GHEDRO CC1(C)Cc2ccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2O1 ZINC001277747536 1038767765 /nfs/dbraw/zinc/76/77/65/1038767765.db2.gz SJDCPMKHDBPAGU-UHFFFAOYSA-N 1 0 389.499 3.666 20 30 GHEDRO COc1cccc(C[NH+]2CCC3(CCN(Cc4[nH]ccc4C#N)CC3)CC2)c1 ZINC001233044809 1038803293 /nfs/dbraw/zinc/80/32/93/1038803293.db2.gz VZCDOYQCTGUXGC-UHFFFAOYSA-N 1 0 378.520 3.773 20 30 GHEDRO Cc1cc(C#N)ccc1CN1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001233079566 1038846240 /nfs/dbraw/zinc/84/62/40/1038846240.db2.gz HYWVEFPIZHKNAD-UHFFFAOYSA-N 1 0 390.531 3.958 20 30 GHEDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4ccc(C#N)cc4C)C3)C2)n1 ZINC001233081242 1038847154 /nfs/dbraw/zinc/84/71/54/1038847154.db2.gz AYFMPOYNRXBKQU-PKTZIBPZSA-N 1 0 377.488 3.520 20 30 GHEDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)c(F)c1C#N ZINC001233101493 1038880141 /nfs/dbraw/zinc/88/01/41/1038880141.db2.gz YQMOAAVWBOHNIO-UHFFFAOYSA-N 1 0 392.478 3.639 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CCN(CC(F)(F)F)C2=O)CC1 ZINC001252132458 1038884155 /nfs/dbraw/zinc/88/41/55/1038884155.db2.gz HIWOZWAKWMLXIV-KRWDZBQOSA-N 1 0 392.506 3.975 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001252135460 1038887757 /nfs/dbraw/zinc/88/77/57/1038887757.db2.gz CUSYRPIZSRORBA-WTGUMLROSA-N 1 0 398.588 3.712 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc2c(C(=O)OCC)ncn21 ZINC001252141251 1038891700 /nfs/dbraw/zinc/89/17/00/1038891700.db2.gz IRCKCVUVXCMMRC-SFHVURJKSA-N 1 0 375.513 3.712 20 30 GHEDRO CC(C)Oc1ncc(Cl)cc1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001233167221 1038939820 /nfs/dbraw/zinc/93/98/20/1038939820.db2.gz OHZCOVFKFDEQOZ-UHFFFAOYSA-N 1 0 385.899 3.501 20 30 GHEDRO CCC1([NH2+]C[C@@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCCCC1 ZINC001252336355 1038946611 /nfs/dbraw/zinc/94/66/11/1038946611.db2.gz DMFDWYYZEMFISE-GOSISDBHSA-N 1 0 397.441 3.969 20 30 GHEDRO CCC1([NH2+]C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCCCC1 ZINC001252336356 1038946727 /nfs/dbraw/zinc/94/67/27/1038946727.db2.gz DMFDWYYZEMFISE-SFHVURJKSA-N 1 0 397.441 3.969 20 30 GHEDRO Cc1cc(F)cc(C[NH+]2CCC3(C[C@H]3C(=O)NCCCC#N)CC2)c1Cl ZINC001277774113 1038951928 /nfs/dbraw/zinc/95/19/28/1038951928.db2.gz FPRSESRRUPYVSY-KRWDZBQOSA-N 1 0 377.891 3.810 20 30 GHEDRO C=CCOC[C@H](O)C[N@@H+](C(CC)CC)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252471237 1038999373 /nfs/dbraw/zinc/99/93/73/1038999373.db2.gz DTHVOMXLQOZMKR-MISYRCLQSA-N 1 0 398.588 3.876 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC001252554357 1039031637 /nfs/dbraw/zinc/03/16/37/1039031637.db2.gz FBUPUYGMISGQOI-QFIPXVFZSA-N 1 0 379.529 3.784 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 ZINC001252599755 1039042531 /nfs/dbraw/zinc/04/25/31/1039042531.db2.gz ICIWLWGHTVQGAK-HNNXBMFYSA-N 1 0 394.309 3.576 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)C2CCOCC2)CC1 ZINC001252988561 1039315984 /nfs/dbraw/zinc/31/59/84/1039315984.db2.gz GZYYBXJBNUYVMX-JOCHJYFZSA-N 1 0 396.616 3.885 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)OC)C2)cc1 ZINC001462363077 1070201851 /nfs/dbraw/zinc/20/18/51/1070201851.db2.gz UPWBJAIEBIEBNX-VQTJNVASSA-N 1 0 398.300 3.819 20 30 GHEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001233510372 1039399788 /nfs/dbraw/zinc/39/97/88/1039399788.db2.gz LMAXXXBFOKELBU-BBRMVZONSA-N 1 0 376.382 3.971 20 30 GHEDRO COC(=O)C1=C[C@@H](Oc2c(Cl)cccc2C#N)CN(Cc2ccccc2)C1 ZINC001233548997 1039431228 /nfs/dbraw/zinc/43/12/28/1039431228.db2.gz ASVYVBAIOIETQN-GOSISDBHSA-N 1 0 382.847 3.574 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001253234368 1039487701 /nfs/dbraw/zinc/48/77/01/1039487701.db2.gz AEJLSAJRPZRPRD-ISKFKSNPSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC001253236792 1039493044 /nfs/dbraw/zinc/49/30/44/1039493044.db2.gz TZLQZVBRGHDBIL-CTNGQTDRSA-N 1 0 375.557 3.646 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253237832 1039493429 /nfs/dbraw/zinc/49/34/29/1039493429.db2.gz NJWCVLYBQCNMCZ-DNVJHFABSA-N 1 0 378.601 3.554 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001253237919 1039494351 /nfs/dbraw/zinc/49/43/51/1039494351.db2.gz OQMKVKFSGWWKBG-CWKRKGSWSA-N 1 0 388.552 3.970 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001253239262 1039496127 /nfs/dbraw/zinc/49/61/27/1039496127.db2.gz XKTGVMYOKAVDIL-AKIFATBCSA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001253239246 1039497053 /nfs/dbraw/zinc/49/70/53/1039497053.db2.gz XBBAFHORNCCPDR-HSALFYBXSA-N 1 0 377.598 3.927 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCc1cc[nH]n1 ZINC001253614765 1039725069 /nfs/dbraw/zinc/72/50/69/1039725069.db2.gz UOTKUBJLZQDBSL-QFIPXVFZSA-N 1 0 397.604 3.857 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CC2(CC(O)C2)C1 ZINC001253616309 1039726586 /nfs/dbraw/zinc/72/65/86/1039726586.db2.gz RVQXBXMQHPTKRG-JOCHJYFZSA-N 1 0 399.616 3.758 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C(=O)OC(C)(C)C ZINC001253687273 1039766509 /nfs/dbraw/zinc/76/65/09/1039766509.db2.gz ASFKUBKLHCQNJF-LAUBAEHRSA-N 1 0 380.488 3.824 20 30 GHEDRO COc1ccc(/C=C\C(=O)c2ccccc2O[C@H](CC#N)C[N+](C)(C)C)cc1 ZINC001234078794 1039818218 /nfs/dbraw/zinc/81/82/18/1039818218.db2.gz DQPQNAUOGJUTMG-ACQXMXPUSA-N 1 0 379.480 3.959 20 30 GHEDRO Cc1cc(Br)sc1C[N@@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001277840314 1039928354 /nfs/dbraw/zinc/92/83/54/1039928354.db2.gz CRJFAABQBMSZGN-KRWDZBQOSA-N 1 0 396.354 3.547 20 30 GHEDRO N#Cc1ccc(N2CCCN(Cc3cc(Cl)ccc3OC(F)F)CC2)nc1 ZINC001234431060 1040030422 /nfs/dbraw/zinc/03/04/22/1040030422.db2.gz LLOODMWGVGIHKD-UHFFFAOYSA-N 1 0 392.837 3.920 20 30 GHEDRO N#Cc1cccc2nc(=O)[nH]c(O[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)c12 ZINC001234514687 1040093088 /nfs/dbraw/zinc/09/30/88/1040093088.db2.gz ZBMNUGYVCPPQHX-MRXNPFEDSA-N 1 0 380.835 3.514 20 30 GHEDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(C#N)c(Br)c3)C2)C1=O ZINC001277867480 1040150744 /nfs/dbraw/zinc/15/07/44/1040150744.db2.gz DWNVXMPEVOGRTG-IBGZPJMESA-N 1 0 390.325 3.545 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(Cc3cccc(N)c3)CC2)CC1 ZINC001254359765 1040192343 /nfs/dbraw/zinc/19/23/43/1040192343.db2.gz PWDHYJRHYSJITJ-UHFFFAOYSA-N 1 0 392.522 3.930 20 30 GHEDRO O=C1C=C[C@@H](Oc2cccc3c2[C@@]24CC[N@H+](CC5CC5)[C@@H](C3)[C@@H]2CCC(=O)C4)C1 ZINC001234710255 1040241602 /nfs/dbraw/zinc/24/16/02/1040241602.db2.gz OWRFCCSQWMKUHB-HXKBJWFLSA-N 1 0 391.511 3.610 20 30 GHEDRO CC[NH+]1CCC(Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001234716325 1040246995 /nfs/dbraw/zinc/24/69/95/1040246995.db2.gz DURCQQPKGFDDLN-LFIBNONCSA-N 1 0 395.455 3.620 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001234717300 1040248700 /nfs/dbraw/zinc/24/87/00/1040248700.db2.gz XXUGYBYKLMALSM-QJKHOBJASA-N 1 0 395.455 3.618 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2CC ZINC001254562206 1040334945 /nfs/dbraw/zinc/33/49/45/1040334945.db2.gz PIGXOQVOMXBTNV-WEYGHZABSA-N 1 0 385.508 3.947 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+]C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254618751 1040390012 /nfs/dbraw/zinc/39/00/12/1040390012.db2.gz CNVKZMMPHUIBFW-UHFFFAOYSA-N 1 0 392.522 3.920 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)c2ccc(O[C@H](C)c3ccccc3C#N)cc2)CC1 ZINC001234900643 1040415139 /nfs/dbraw/zinc/41/51/39/1040415139.db2.gz GJPVWWQSPHNGIM-GOSISDBHSA-N 1 0 377.488 3.864 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)(Cc2ccccn2)CC1 ZINC001254649214 1040417711 /nfs/dbraw/zinc/41/77/11/1040417711.db2.gz QYWJJQCDIYCYOL-RBUKOAKNSA-N 1 0 398.551 3.923 20 30 GHEDRO CN(C)C(=O)CO[C@@H]1CCC2(CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c2ccccc21 ZINC001254657656 1040423384 /nfs/dbraw/zinc/42/33/84/1040423384.db2.gz DUTOBYAZHMMIDA-WOIUINJBSA-N 1 0 395.547 3.652 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-c3nnc(C)o3)cc1)C2 ZINC001235048850 1040543065 /nfs/dbraw/zinc/54/30/65/1040543065.db2.gz MSPIDGAMTNDHGW-IRLDBZIGSA-N 1 0 383.492 3.619 20 30 GHEDRO N#Cc1cccc(OCc2cccc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)c2)c1 ZINC001254852460 1040597326 /nfs/dbraw/zinc/59/73/26/1040597326.db2.gz ZQFZYLJYQRCBSJ-OAQYLSRUSA-N 1 0 386.455 3.996 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@@H+]1CCC3SC(=O)C=C3C1)CC2 ZINC001254877221 1040622880 /nfs/dbraw/zinc/62/28/80/1040622880.db2.gz FLQYMWZRGNHYEN-BQIYRTECSA-N 1 0 392.565 3.830 20 30 GHEDRO CC(C)([NH2+]C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1)c1ccc(C#N)cc1 ZINC001254992961 1040714276 /nfs/dbraw/zinc/71/42/76/1040714276.db2.gz BFRWUXXFBDKRSF-NOTZXAQLSA-N 1 0 375.516 3.815 20 30 GHEDRO CC[C@@H](CC#N)[NH2+]CC1(Cc2cccnc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255162205 1040881465 /nfs/dbraw/zinc/88/14/65/1040881465.db2.gz JZPHMHOIZFNEDK-IBGZPJMESA-N 1 0 386.540 3.923 20 30 GHEDRO CC[C@H](CC#N)[NH2+]CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001255164424 1040882768 /nfs/dbraw/zinc/88/27/68/1040882768.db2.gz MBLZXWFMASCCNR-CVEARBPZSA-N 1 0 383.533 3.674 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(O)cc(OCC)c3)C2)CC1 ZINC001235385009 1040903797 /nfs/dbraw/zinc/90/37/97/1040903797.db2.gz HQOVZJNHMIREIZ-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO C[C@@H](CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)s1)CC(F)(F)F ZINC001277944741 1040932417 /nfs/dbraw/zinc/93/24/17/1040932417.db2.gz YQBLWKZAXXBHEB-DAXOMENPSA-N 1 0 385.455 3.774 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001235516089 1040971197 /nfs/dbraw/zinc/97/11/97/1040971197.db2.gz YUPAGJQQTJXCRZ-QHCPKHFHSA-N 1 0 377.463 3.516 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC001235516006 1040971786 /nfs/dbraw/zinc/97/17/86/1040971786.db2.gz CVPCBZMBPCGZAH-RLAPIPATSA-N 1 0 393.556 3.631 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001235518934 1040973774 /nfs/dbraw/zinc/97/37/74/1040973774.db2.gz PBNGALOSLAPCQK-ZEQRLZLVSA-N 1 0 391.515 3.736 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255400726 1040986326 /nfs/dbraw/zinc/98/63/26/1040986326.db2.gz NFBZXUQQJNDPMF-LADGPHEKSA-N 1 0 381.564 3.542 20 30 GHEDRO Cc1ccnc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1Cl ZINC001235578397 1040995978 /nfs/dbraw/zinc/99/59/78/1040995978.db2.gz AOJFEVVHLVENNO-NRFANRHFSA-N 1 0 380.879 3.544 20 30 GHEDRO O=C(c1ccc(C#CBr)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001278870340 1041100980 /nfs/dbraw/zinc/10/09/80/1041100980.db2.gz XEHCPNJRULKBDU-KDURUIRLSA-N 1 0 387.321 3.622 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)C1 ZINC001255913394 1041396764 /nfs/dbraw/zinc/39/67/64/1041396764.db2.gz BIXWOHPSKRKCLM-SFHVURJKSA-N 1 0 385.508 3.801 20 30 GHEDRO C[C@@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001235968563 1041472705 /nfs/dbraw/zinc/47/27/05/1041472705.db2.gz IRJSSSWUYNNORM-DYVFJYSZSA-N 1 0 383.870 3.546 20 30 GHEDRO COc1cccc(C[C@H](C)[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001256164295 1041607169 /nfs/dbraw/zinc/60/71/69/1041607169.db2.gz NUIRONYKIMBDOK-MHECFPHRSA-N 1 0 389.499 3.627 20 30 GHEDRO C#CCOc1ccc(CN(Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1OC ZINC001236520834 1041751428 /nfs/dbraw/zinc/75/14/28/1041751428.db2.gz BPWOTKJQXNLZLI-UHFFFAOYSA-N 1 0 396.506 3.909 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)c(F)c1 ZINC001236527592 1041753347 /nfs/dbraw/zinc/75/33/47/1041753347.db2.gz OCGIYSBITCSMDB-INIZCTEOSA-N 1 0 389.434 3.874 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnc(Cl)c(C(F)(F)F)c3)C2)C1=O ZINC001236624968 1041789736 /nfs/dbraw/zinc/78/97/36/1041789736.db2.gz BXTFWBVLCSTCGI-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(CC)cc1O)CC2 ZINC001236784807 1041890981 /nfs/dbraw/zinc/89/09/81/1041890981.db2.gz AXXZNKBVELXTSG-UHFFFAOYSA-N 1 0 381.520 3.822 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)c(Cl)c1)C2 ZINC001236905869 1041949213 /nfs/dbraw/zinc/94/92/13/1041949213.db2.gz QUTRPVYIVVJNNY-GHTZIAJQSA-N 1 0 387.911 3.852 20 30 GHEDRO N#Cc1ccc(CN2CCC3(CC2)[NH2+]CCc2ccccc23)c(Br)c1 ZINC001237277687 1042119393 /nfs/dbraw/zinc/11/93/93/1042119393.db2.gz QWSRZGHMQYOCQW-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237468805 1042220953 /nfs/dbraw/zinc/22/09/53/1042220953.db2.gz QAYXFVNIKMBCAT-FXAWDEMLSA-N 1 0 394.519 3.881 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)c2cc(C#N)ccc21 ZINC001237468711 1042221438 /nfs/dbraw/zinc/22/14/38/1042221438.db2.gz OGESTEQKTVFSIF-UHFFFAOYSA-N 1 0 384.483 3.926 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)CC(=O)N(C)c2ccccc23)c2cc(C#N)ccc21 ZINC001237470775 1042222895 /nfs/dbraw/zinc/22/28/95/1042222895.db2.gz XIHBJIPVJSTGTF-UHFFFAOYSA-N 1 0 398.510 3.950 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3ncnc(Cl)c3c1)C2 ZINC001237576266 1042269026 /nfs/dbraw/zinc/26/90/26/1042269026.db2.gz JXHQZXVSJWJFOX-PZJWPPBQSA-N 1 0 387.911 3.857 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237648977 1042303590 /nfs/dbraw/zinc/30/35/90/1042303590.db2.gz ISPNMKLFQGFDGE-UHFFFAOYSA-N 1 0 382.435 3.867 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(-c4ccccn4)n3)C2)C1 ZINC001237828396 1042389671 /nfs/dbraw/zinc/38/96/71/1042389671.db2.gz HURAKTCLSGBZLK-HSZRJFAPSA-N 1 0 392.503 3.754 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3[nH]c(-c4ccc[nH]4)cc3OC)C2)C1 ZINC001237874542 1042404183 /nfs/dbraw/zinc/40/41/83/1042404183.db2.gz WPHXRKUPRJXMSW-QFIPXVFZSA-N 1 0 398.507 3.629 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccccc1Oc1cnccn1)CC2 ZINC001238015215 1042459789 /nfs/dbraw/zinc/45/97/89/1042459789.db2.gz WEGFAQBFUSGKAY-HSZRJFAPSA-N 1 0 392.503 3.802 20 30 GHEDRO CN1CC[C@@]2(C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001238082538 1042485404 /nfs/dbraw/zinc/48/54/04/1042485404.db2.gz KVYDSIQQESKYSO-KNQAVFIVSA-N 1 0 379.891 3.660 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cncc(OCc3ccccc3)c1)C2 ZINC001238363688 1042570470 /nfs/dbraw/zinc/57/04/70/1042570470.db2.gz CGKHXDKXAAHAJW-BJKOFHAPSA-N 1 0 394.515 3.987 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)ccc1C#N ZINC001238406529 1042586255 /nfs/dbraw/zinc/58/62/55/1042586255.db2.gz GTLVKFQIPWTGMG-OAQYLSRUSA-N 1 0 381.501 3.566 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC001238410709 1042587428 /nfs/dbraw/zinc/58/74/28/1042587428.db2.gz SWDWYDTWURMCGZ-JOCHJYFZSA-N 1 0 385.508 3.932 20 30 GHEDRO Cn1cc(CN2CC3(CN(CCc4c(Cl)cccc4Cl)C3)C2)cc1C#N ZINC001278231922 1042593626 /nfs/dbraw/zinc/59/36/26/1042593626.db2.gz NTZRHEILQUBSCR-UHFFFAOYSA-N 1 0 389.330 3.564 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001238454372 1042600987 /nfs/dbraw/zinc/60/09/87/1042600987.db2.gz BMVSFRSTCRPQIV-UHFFFAOYSA-N 1 0 384.561 3.727 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001238744521 1042710465 /nfs/dbraw/zinc/71/04/65/1042710465.db2.gz BMTVMYDUBUYCBS-UXHICEINSA-N 1 0 381.586 3.792 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCOC)[C@@H]2CC)ccc1C#N ZINC001238761771 1042718568 /nfs/dbraw/zinc/71/85/68/1042718568.db2.gz FYDIIHCECNHZDB-GMAHTHKFSA-N 1 0 383.536 3.503 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)ccc1C#N ZINC001238763294 1042719204 /nfs/dbraw/zinc/71/92/04/1042719204.db2.gz RJMXJLJWQUGWQO-UHFFFAOYSA-N 1 0 387.527 3.918 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+](Cc3cccnc3OCc3ccccc3)C2)C1=O ZINC001238777236 1042723977 /nfs/dbraw/zinc/72/39/77/1042723977.db2.gz XIMDEMXXUXKYJB-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC(C)C)ncc1F)[C@H]2CC ZINC001238798773 1042733378 /nfs/dbraw/zinc/73/33/78/1042733378.db2.gz ZMRHPTWRUIUTPA-UGKGYDQZSA-N 1 0 389.515 3.930 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N3CC[C@@H]([NH3+])C3)nc2)c1 ZINC001239185087 1042781933 /nfs/dbraw/zinc/78/19/33/1042781933.db2.gz RPHLAHCUHNELQN-GOSISDBHSA-N 1 0 379.508 3.709 20 30 GHEDRO F[C@@H]1C[NH2+][C@H](CNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001239358530 1042812934 /nfs/dbraw/zinc/81/29/34/1042812934.db2.gz UNXZRTPCUUUFLI-ONGXEEELSA-N 1 0 389.340 3.711 20 30 GHEDRO CCCCCCCCCNC(=S)NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001239384436 1042818440 /nfs/dbraw/zinc/81/84/40/1042818440.db2.gz WEFAHUAOIDLSKI-UHFFFAOYSA-N 1 0 376.614 3.961 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2(Cc3ccccc3Cl)CC[NH2+]CC2)cc1 ZINC001239386097 1042819289 /nfs/dbraw/zinc/81/92/89/1042819289.db2.gz MZSJPZNMAWHCEQ-UHFFFAOYSA-N 1 0 384.936 3.863 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(-c2ccccc2C[NH+](C)C)nc1C(F)(F)F ZINC001239680768 1042844737 /nfs/dbraw/zinc/84/47/37/1042844737.db2.gz HRBWLYQDZZRNRA-UHFFFAOYSA-N 1 0 377.366 3.877 20 30 GHEDRO N#Cc1cc(-c2ccc(C(=O)NCc3ccccc3)cc2)ccc1N1CC[NH2+]CC1 ZINC001239908831 1042860637 /nfs/dbraw/zinc/86/06/37/1042860637.db2.gz PFOXRJQDOIAJQW-UHFFFAOYSA-N 1 0 396.494 3.565 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4cc(C(F)(F)F)cc(C#N)n4)cc3)CC2)CC1 ZINC001240573757 1042942134 /nfs/dbraw/zinc/94/21/34/1042942134.db2.gz RXDMDXOCIUUPFL-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3ncc(F)c(Oc4ccccc4C#N)n3)cc2)CC1 ZINC001240851333 1042958569 /nfs/dbraw/zinc/95/85/69/1042958569.db2.gz AFKODMAJAGOSKY-UHFFFAOYSA-N 1 0 389.434 3.698 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCC[NH+]1CCCCC1 ZINC001291506302 1043314576 /nfs/dbraw/zinc/31/45/76/1043314576.db2.gz WXVZDQMKXMZHTC-NQIIRXRSSA-N 1 0 390.551 3.890 20 30 GHEDRO C[C@@H]1C[C@@H](N[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522374 1043447118 /nfs/dbraw/zinc/44/71/18/1043447118.db2.gz FWQPXLXSKHBPSP-QMHWCDLVSA-N 1 0 398.551 3.532 20 30 GHEDRO C[C@@H]1C[C@@H](N[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522375 1043448564 /nfs/dbraw/zinc/44/85/64/1043448564.db2.gz FWQPXLXSKHBPSP-RFWXGWTQSA-N 1 0 398.551 3.532 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 ZINC001291762943 1043448704 /nfs/dbraw/zinc/44/87/04/1043448704.db2.gz UMTUJVJQDYEBNG-QGZVFWFLSA-N 1 0 392.507 3.776 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC001256793516 1043653956 /nfs/dbraw/zinc/65/39/56/1043653956.db2.gz BREWAQWLZJDETH-PKTZIBPZSA-N 1 0 389.499 3.673 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]Cc3ccc(N4CCCNC4=O)nc3)CC2)cc1 ZINC001257013590 1043799109 /nfs/dbraw/zinc/79/91/09/1043799109.db2.gz HKWUKWYOVOPTGW-UHFFFAOYSA-N 1 0 389.503 3.689 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001292835245 1043906574 /nfs/dbraw/zinc/90/65/74/1043906574.db2.gz UFTXUWKHRQTRAG-UHFFFAOYSA-N 1 0 380.540 3.613 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccc(C(=O)OCC)cc1)C2 ZINC001257164855 1043910545 /nfs/dbraw/zinc/91/05/45/1043910545.db2.gz YYCUGNBSWLPBLJ-HARLFGEKSA-N 1 0 387.520 3.620 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCc2cccc(OCc3ccccc3)c2)CC1 ZINC001293034414 1043994564 /nfs/dbraw/zinc/99/45/64/1043994564.db2.gz ZUIFDVHFNCHBLL-UHFFFAOYSA-N 1 0 378.516 3.965 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C3CCN(C(=O)c4cccc(C(=O)OC)c4)CC3)C[C@H](C1)C2 ZINC001257889976 1044245561 /nfs/dbraw/zinc/24/55/61/1044245561.db2.gz AHLVBNKCHKJMNK-VSOVRNOCSA-N 1 0 396.531 3.802 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4COC[C@@H](CC(=O)NCc5ccco5)[C@@H]4C3)C[C@H](C1)C2 ZINC001257893664 1044248816 /nfs/dbraw/zinc/24/88/16/1044248816.db2.gz XDGACTSCVRNWHQ-XIECDKMUSA-N 1 0 398.547 3.615 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCO[C@H]4[C@H](OCCCn5cccn5)CC[C@@H]43)C[C@H](C1)C2 ZINC001257893010 1044249093 /nfs/dbraw/zinc/24/90/93/1044249093.db2.gz KBDZXDWKUDYCPJ-QSLSGJRPSA-N 1 0 385.552 3.657 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CCCC(F)(F)F)c1 ZINC001279068717 1044341662 /nfs/dbraw/zinc/34/16/62/1044341662.db2.gz TWMHEKQEFROUPE-HOTGVXAUSA-N 1 0 385.817 3.843 20 30 GHEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001258047561 1044369667 /nfs/dbraw/zinc/36/96/67/1044369667.db2.gz MIBHCVGKOBYKDV-LJQANCHMSA-N 1 0 388.556 3.533 20 30 GHEDRO CCCCCCC[C@@H](C)N(Cc1cnc2n1CC[NH2+]CC2)c1ccc(C)nn1 ZINC001258047662 1044369680 /nfs/dbraw/zinc/36/96/80/1044369680.db2.gz NLBGYNOJCSJPOH-LJQANCHMSA-N 1 0 384.572 3.883 20 30 GHEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CN(CCOC)C(=O)[C@@H]2COC)CC1 ZINC001258048915 1044370727 /nfs/dbraw/zinc/37/07/27/1044370727.db2.gz ZCXLANICJTVLNX-PMACEKPBSA-N 1 0 382.589 3.569 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001258048022 1044371464 /nfs/dbraw/zinc/37/14/64/1044371464.db2.gz QHITXPBEJSTOND-VURPSTOHSA-N 1 0 376.541 3.839 20 30 GHEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001258228019 1044477568 /nfs/dbraw/zinc/47/75/68/1044477568.db2.gz CIYYXKRLQQCFQM-KNQAVFIVSA-N 1 0 379.589 3.719 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258525380 1044604245 /nfs/dbraw/zinc/60/42/45/1044604245.db2.gz RJIAARUUYBPMCK-CTNGQTDRSA-N 1 0 379.541 3.524 20 30 GHEDRO CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001294430439 1044625312 /nfs/dbraw/zinc/62/53/12/1044625312.db2.gz ZNHQOJILSKYIHF-QZTJIDSGSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(Cc3ccc(Cl)cc3)S(=O)(=O)[C@@H]2CC1 ZINC001258727083 1044734015 /nfs/dbraw/zinc/73/40/15/1044734015.db2.gz FHXTWTRSTKVTDY-ILZDJORESA-N 1 0 396.984 3.921 20 30 GHEDRO C=CCC[C@H](C)[NH+]1CCN([C@@H](c2ccccc2)c2nc(OC)cc(OC)n2)CC1 ZINC001258730937 1044736031 /nfs/dbraw/zinc/73/60/31/1044736031.db2.gz RBAXARRFGUATIC-AVRDEDQJSA-N 1 0 396.535 3.556 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCC2)C1 ZINC001294650879 1044747457 /nfs/dbraw/zinc/74/74/57/1044747457.db2.gz WJSGJFYMOMBHKL-GOSISDBHSA-N 1 0 378.524 3.537 20 30 GHEDRO COc1cc(C[C@@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc(OC)c1OC ZINC001258858092 1044797899 /nfs/dbraw/zinc/79/78/99/1044797899.db2.gz DQPHYFVUXYHPLG-CQSZACIVSA-N 1 0 394.471 3.908 20 30 GHEDRO COc1cc(C[C@H](C)[NH2+]CCCOc2ccccc2C#N)cc(OC)c1OC ZINC001258860853 1044800331 /nfs/dbraw/zinc/80/03/31/1044800331.db2.gz XYCCUONTHWYLKE-INIZCTEOSA-N 1 0 384.476 3.574 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)c1 ZINC001259126072 1044972931 /nfs/dbraw/zinc/97/29/31/1044972931.db2.gz JSCIDQHYMCDNNS-OAQYLSRUSA-N 1 0 395.528 3.702 20 30 GHEDRO CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001295434544 1045009863 /nfs/dbraw/zinc/00/98/63/1045009863.db2.gz GJNBPQCBVCURNV-GOSISDBHSA-N 1 0 380.540 3.927 20 30 GHEDRO C[N@H+](CCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)C1CCCCC1 ZINC001297133392 1045460395 /nfs/dbraw/zinc/46/03/95/1045460395.db2.gz IZTRWHQMYXZIRF-UHFFFAOYSA-N 1 0 388.943 3.515 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC001462910566 1070654214 /nfs/dbraw/zinc/65/42/14/1070654214.db2.gz HZCUJRUSONGZIK-RXVVDRJESA-N 1 0 384.545 3.919 20 30 GHEDRO C=CCC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CCCC1 ZINC001297803838 1045625062 /nfs/dbraw/zinc/62/50/62/1045625062.db2.gz LOWBZLKZPFIOIP-URXFXBBRSA-N 1 0 382.548 3.778 20 30 GHEDRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C#CC(C)(C)C ZINC001297938143 1045663887 /nfs/dbraw/zinc/66/38/87/1045663887.db2.gz QSHMMDFKXDDKLH-AWEZNQCLSA-N 1 0 392.341 3.577 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)c2[nH]c3ccccc3c2C#N)[NH+](C)C)cc1 ZINC001298402644 1045799419 /nfs/dbraw/zinc/79/94/19/1045799419.db2.gz CCIHBJRVSWVUIF-LJQANCHMSA-N 1 0 378.501 3.794 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC(=O)N2CCC[C@H](C)C2)cc1OC ZINC001261787691 1046092686 /nfs/dbraw/zinc/09/26/86/1046092686.db2.gz XURXWTAEJIHELO-HNNXBMFYSA-N 1 0 380.916 3.652 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300799087 1046166384 /nfs/dbraw/zinc/16/63/84/1046166384.db2.gz VWJSCKNVCPBHMY-OPAMFIHVSA-N 1 0 381.499 3.559 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001300907708 1046234599 /nfs/dbraw/zinc/23/45/99/1046234599.db2.gz PLAWTTOZPNEWSW-IBGZPJMESA-N 1 0 390.535 3.703 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001301034078 1046299097 /nfs/dbraw/zinc/29/90/97/1046299097.db2.gz PGOKLKPJYVFBKT-QGZVFWFLSA-N 1 0 388.947 3.569 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001301120055 1046355896 /nfs/dbraw/zinc/35/58/96/1046355896.db2.gz GDPRDKYYTWBVFO-VQTJNVASSA-N 1 0 389.588 3.898 20 30 GHEDRO C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301176059 1046388346 /nfs/dbraw/zinc/38/83/46/1046388346.db2.gz OMRQEYABKNKCBT-UHFFFAOYSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CCCCCn1c(CC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001301189660 1046394180 /nfs/dbraw/zinc/39/41/80/1046394180.db2.gz YVAUUUFBSRAGFY-LJQANCHMSA-N 1 0 389.588 3.522 20 30 GHEDRO C=CC[C@@H](c1nnc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)n1C)c1ccccc1 ZINC001262912370 1046416992 /nfs/dbraw/zinc/41/69/92/1046416992.db2.gz YTYRVAIPAKVFIU-UWHLTILDSA-N 1 0 379.552 3.690 20 30 GHEDRO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001262962489 1046453309 /nfs/dbraw/zinc/45/33/09/1046453309.db2.gz OGKNWAARVDQLDP-FUHWJXTLSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262969733 1046458336 /nfs/dbraw/zinc/45/83/36/1046458336.db2.gz POIUUVJXYDFWPH-MOPGFXCFSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(C)c1nnc(CC2CCCC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001301305419 1046466106 /nfs/dbraw/zinc/46/61/06/1046466106.db2.gz DKEWMPGIQVHHDB-UHFFFAOYSA-N 1 0 389.588 3.522 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(CC)cc2)n1CC[NH+]1CCSCC1)C1CC1 ZINC001301317783 1046480184 /nfs/dbraw/zinc/48/01/84/1046480184.db2.gz YZHUQWZLRUXGEY-UHFFFAOYSA-N 1 0 397.592 3.711 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCCC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001301390554 1046521888 /nfs/dbraw/zinc/52/18/88/1046521888.db2.gz JRJQKEBYKHGMOU-RTBURBONSA-N 1 0 387.572 3.613 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001301557392 1046596950 /nfs/dbraw/zinc/59/69/50/1046596950.db2.gz OOWOWMSQJRPFFI-LJQANCHMSA-N 1 0 389.588 3.522 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263327298 1046715278 /nfs/dbraw/zinc/71/52/78/1046715278.db2.gz KEMSOPCSQHUDNI-MOPGFXCFSA-N 1 0 382.556 3.569 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001263331095 1046717181 /nfs/dbraw/zinc/71/71/81/1046717181.db2.gz FMNIURUDSSEYKA-TZIWHRDSSA-N 1 0 395.551 3.550 20 30 GHEDRO CC(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C#N)[NH+]1CCCC1 ZINC001301958327 1046761249 /nfs/dbraw/zinc/76/12/49/1046761249.db2.gz BAYJZCNNOKJHKX-YLJYHZDGSA-N 1 0 398.530 3.800 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001301964451 1046765367 /nfs/dbraw/zinc/76/53/67/1046765367.db2.gz AFXDQTWSYOGUCM-GBESFXJTSA-N 1 0 386.588 3.900 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001301971632 1046769085 /nfs/dbraw/zinc/76/90/85/1046769085.db2.gz ONEJBWDFWPEKMP-OALUTQOASA-N 1 0 386.588 3.727 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCCC#N)n2Cc2cccs2)C[C@@H]1C ZINC001263490479 1046894452 /nfs/dbraw/zinc/89/44/52/1046894452.db2.gz SZIPJDPBNJIRTM-IRXDYDNUSA-N 1 0 386.569 3.543 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC001302305834 1046905299 /nfs/dbraw/zinc/90/52/99/1046905299.db2.gz ALUKIYZKKROAPL-UYAOXDASSA-N 1 0 391.519 3.892 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1cccs1 ZINC001263498494 1046908275 /nfs/dbraw/zinc/90/82/75/1046908275.db2.gz HIPBQKWLCQQBKI-QZTJIDSGSA-N 1 0 398.580 3.860 20 30 GHEDRO C#CCC(C)(C)c1nnc(N2CC[C@@H](C[N@@H+](C)CCC)C2)n1Cc1cccs1 ZINC001263501518 1046911739 /nfs/dbraw/zinc/91/17/39/1046911739.db2.gz TWVZEPGFSMIRAQ-SFHVURJKSA-N 1 0 399.608 3.857 20 30 GHEDRO CC(C)c1nnc(N(C)[C@@H](C)CC#N)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001302566763 1046980303 /nfs/dbraw/zinc/98/03/03/1046980303.db2.gz CTHGHXFPCRUIJS-SFHVURJKSA-N 1 0 380.540 3.588 20 30 GHEDRO C=CCC[C@H]1CCCN1c1nnc([C@@H]2CCC[N@@H+](C)C2)n1C[C@@H]1CCCCO1 ZINC001263601460 1046986123 /nfs/dbraw/zinc/98/61/23/1046986123.db2.gz ZDXCIOVGYNFPTO-AABGKKOBSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001302631196 1047015885 /nfs/dbraw/zinc/01/58/85/1047015885.db2.gz PQTAHSZMOINGMZ-BQIYRTECSA-N 1 0 381.561 3.615 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001302737948 1047077337 /nfs/dbraw/zinc/07/73/37/1047077337.db2.gz SQPZTMKFMXUCIQ-NQIIRXRSSA-N 1 0 392.551 3.926 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCc4c3cccc4F)CC2)c1 ZINC000593318105 1047329675 /nfs/dbraw/zinc/32/96/75/1047329675.db2.gz VSHLPSVHMDNEEI-QFIPXVFZSA-N 1 0 392.478 3.648 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCCCC1 ZINC001303641138 1047463788 /nfs/dbraw/zinc/46/37/88/1047463788.db2.gz PMZIGKPICLTAEW-GOSISDBHSA-N 1 0 398.530 3.622 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303737798 1047500266 /nfs/dbraw/zinc/50/02/66/1047500266.db2.gz QGATXZVPGKRPDC-ROUUACIJSA-N 1 0 394.567 3.761 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001303744429 1047502451 /nfs/dbraw/zinc/50/24/51/1047502451.db2.gz CIDFXCIEBSUCMH-GUDVDZBRSA-N 1 0 392.551 3.641 20 30 GHEDRO Cc1ccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H](C)CC#N)[NH+](C)C)cc1 ZINC001304276938 1047634175 /nfs/dbraw/zinc/63/41/75/1047634175.db2.gz WOZDFSGPHFWKAY-PXNSSMCTSA-N 1 0 391.523 3.623 20 30 GHEDRO N#Cc1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000702629011 1047707107 /nfs/dbraw/zinc/70/71/07/1047707107.db2.gz QCXWXIGIIFLQQI-IBGZPJMESA-N 1 0 375.394 3.626 20 30 GHEDRO Cc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@@H+](C)C(C)C ZINC001304556490 1047712006 /nfs/dbraw/zinc/71/20/06/1047712006.db2.gz LVUNZJWBCPALQG-HSZRJFAPSA-N 1 0 394.567 3.648 20 30 GHEDRO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCCC[NH+]1CCCCC1 ZINC001304793130 1047769889 /nfs/dbraw/zinc/76/98/89/1047769889.db2.gz SPDJMOVNRZWQGJ-UHFFFAOYSA-N 1 0 380.540 3.751 20 30 GHEDRO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304792407 1047769894 /nfs/dbraw/zinc/76/98/94/1047769894.db2.gz GAQGUEWKUQTQRN-QGZVFWFLSA-N 1 0 380.540 3.605 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC001304994415 1047831889 /nfs/dbraw/zinc/83/18/89/1047831889.db2.gz YAAZUCABNRIYCV-UWVAXJGDSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CC2)C1 ZINC001305023029 1047839887 /nfs/dbraw/zinc/83/98/87/1047839887.db2.gz PHTLOOADBLOMPM-KRWDZBQOSA-N 1 0 392.551 3.926 20 30 GHEDRO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2ccc(-c4cccs4)s2)C3)CCC1 ZINC001280270642 1048153795 /nfs/dbraw/zinc/15/37/95/1048153795.db2.gz XOJVFTWQGCKMPJ-JLTOFOAXSA-N 1 0 383.542 3.861 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[NH+]1CCCC1 ZINC001286368854 1048293852 /nfs/dbraw/zinc/29/38/52/1048293852.db2.gz SVXYZEWZKMSYGP-UHFFFAOYSA-N 1 0 379.552 3.798 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCC[N@H+]2CC)cc1 ZINC001305915868 1048306719 /nfs/dbraw/zinc/30/67/19/1048306719.db2.gz BKFLHRCHYLMHDX-WIYYLYMNSA-N 1 0 394.567 3.978 20 30 GHEDRO C#CCN(CC#C)c1nnc(C2CCC2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286407113 1048306820 /nfs/dbraw/zinc/30/68/20/1048306820.db2.gz CVGWTQUYIUVXOI-QFIPXVFZSA-N 1 0 389.547 3.702 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001286406059 1048307691 /nfs/dbraw/zinc/30/76/91/1048307691.db2.gz PXVUFPSURJIMGN-LJQANCHMSA-N 1 0 393.535 3.574 20 30 GHEDRO C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286409123 1048309040 /nfs/dbraw/zinc/30/90/40/1048309040.db2.gz IIFQRZDYGVRQKK-NRFANRHFSA-N 1 0 395.595 3.737 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286441430 1048323697 /nfs/dbraw/zinc/32/36/97/1048323697.db2.gz NXCHUXQKVHKEKP-LJQANCHMSA-N 1 0 377.492 3.609 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1CC[N@@H+](C)C1CCCCC1 ZINC001286455039 1048332684 /nfs/dbraw/zinc/33/26/84/1048332684.db2.gz REFSDZUGIQWVSP-UHFFFAOYSA-N 1 0 383.515 3.630 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001286516045 1048344400 /nfs/dbraw/zinc/34/44/00/1048344400.db2.gz BOKIVUZUNZFUFN-AUSIDOKSSA-N 1 0 385.600 3.936 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001286516345 1048344682 /nfs/dbraw/zinc/34/46/82/1048344682.db2.gz ALMPSSHGTZFAQB-VGOFRKELSA-N 1 0 381.524 3.571 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001286588803 1048378965 /nfs/dbraw/zinc/37/89/65/1048378965.db2.gz ZCQNRPFCSOFHBE-IBGZPJMESA-N 1 0 395.551 3.842 20 30 GHEDRO C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001286619518 1048391196 /nfs/dbraw/zinc/39/11/96/1048391196.db2.gz BGEZLBOSNCGULH-QGZVFWFLSA-N 1 0 387.959 3.909 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001286625722 1048395713 /nfs/dbraw/zinc/39/57/13/1048395713.db2.gz YYMYYDHIUNPBQW-LSDHHAIUSA-N 1 0 375.879 3.510 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286625719 1048395928 /nfs/dbraw/zinc/39/59/28/1048395928.db2.gz YYMYYDHIUNPBQW-HUUCEWRRSA-N 1 0 375.879 3.510 20 30 GHEDRO C=C1CCN(c2nnc(COCC)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286651034 1048418812 /nfs/dbraw/zinc/41/88/12/1048418812.db2.gz PPYWSDMVAREOEB-HXUWFJFHSA-N 1 0 397.567 3.882 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CC=CCC2)CC1 ZINC001286655082 1048422768 /nfs/dbraw/zinc/42/27/68/1048422768.db2.gz NPMPVUMZJXDFEB-UHFFFAOYSA-N 1 0 381.499 3.749 20 30 GHEDRO C=CCC(C)(C)Cn1c(C)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001286666827 1048433069 /nfs/dbraw/zinc/43/30/69/1048433069.db2.gz FMRZSKZIUIPSKV-UHFFFAOYSA-N 1 0 383.540 3.520 20 30 GHEDRO C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001286683812 1048444936 /nfs/dbraw/zinc/44/49/36/1048444936.db2.gz BJVOMFADFSNHQR-QUCCMNQESA-N 1 0 395.551 3.983 20 30 GHEDRO C=CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286692812 1048454224 /nfs/dbraw/zinc/45/42/24/1048454224.db2.gz OXHXPMVDSONRMU-QZTJIDSGSA-N 1 0 383.540 3.839 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001286720207 1048475659 /nfs/dbraw/zinc/47/56/59/1048475659.db2.gz USJYQQBEYJKTFT-LJQANCHMSA-N 1 0 397.567 3.631 20 30 GHEDRO C=CCN(c1nnc(Cc2cccnc2)n1C[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001286738027 1048496851 /nfs/dbraw/zinc/49/68/51/1048496851.db2.gz ZCYLIMWGEIPOBN-OAQYLSRUSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1C[C@@H](C)S[C@@H](C)C1)C(C)C ZINC001286751669 1048505051 /nfs/dbraw/zinc/50/50/51/1048505051.db2.gz SDPGBIVOTAOFPM-ZIFCJYIRSA-N 1 0 377.602 3.615 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(CC)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001286752345 1048505622 /nfs/dbraw/zinc/50/56/22/1048505622.db2.gz VYHBYLMBJPLIIV-IBGZPJMESA-N 1 0 384.572 3.669 20 30 GHEDRO CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001306573949 1048745888 /nfs/dbraw/zinc/74/58/88/1048745888.db2.gz JSDAYDVZRQBWNX-SJORKVTESA-N 1 0 380.540 3.924 20 30 GHEDRO CCCCn1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC001306715877 1048846780 /nfs/dbraw/zinc/84/67/80/1048846780.db2.gz PBCXFNZFFUSDHD-UHFFFAOYSA-N 1 0 394.567 3.960 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)C[C@H](C)C#N ZINC001306722481 1048849586 /nfs/dbraw/zinc/84/95/86/1048849586.db2.gz HXGSWHNUPZLUFH-MOPGFXCFSA-N 1 0 397.571 3.534 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C)C2)C1 ZINC001307038940 1049033011 /nfs/dbraw/zinc/03/30/11/1049033011.db2.gz OBZCDSIZQFVUMU-UYAOXDASSA-N 1 0 392.551 3.785 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001307043373 1049037943 /nfs/dbraw/zinc/03/79/43/1049037943.db2.gz JNKGDELNMHNOQE-PGRDOPGGSA-N 1 0 386.588 3.729 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)C[NH+](C)C ZINC001288514060 1049120550 /nfs/dbraw/zinc/12/05/50/1049120550.db2.gz KCDKNDIIBISHPT-HNNXBMFYSA-N 1 0 388.947 3.925 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001288616128 1049162029 /nfs/dbraw/zinc/16/20/29/1049162029.db2.gz YHWASHDMIAEBQW-VQIMIIECSA-N 1 0 390.491 3.701 20 30 GHEDRO C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1cccc(C#N)c1)[N@H+](C)C1CC1 ZINC001288651299 1049183639 /nfs/dbraw/zinc/18/36/39/1049183639.db2.gz GYMIAFIKGPDIND-QGZVFWFLSA-N 1 0 394.567 3.857 20 30 GHEDRO CC(C)(C)OC(=O)N(CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1)C1CC1 ZINC001307454844 1049290788 /nfs/dbraw/zinc/29/07/88/1049290788.db2.gz HFFWGAPIKQQHNT-UHFFFAOYSA-N 1 0 398.551 3.860 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001307481774 1049320550 /nfs/dbraw/zinc/32/05/50/1049320550.db2.gz IPUGPTKRJJFELA-QGZVFWFLSA-N 1 0 396.922 3.747 20 30 GHEDRO N#Cc1cccc([C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001307522779 1049368630 /nfs/dbraw/zinc/36/86/30/1049368630.db2.gz CIHNQGCPUDSYDS-WXFUMESZSA-N 1 0 375.516 3.578 20 30 GHEDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCCOc1ccc(C#N)cc1 ZINC001307565870 1049405730 /nfs/dbraw/zinc/40/57/30/1049405730.db2.gz UQZRBAVHVNZLPW-NRFANRHFSA-N 1 0 375.513 3.856 20 30 GHEDRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001307595456 1049434436 /nfs/dbraw/zinc/43/44/36/1049434436.db2.gz KGQRWOBKYUWWHM-GKVQRAMASA-N 1 0 392.547 3.528 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOCC34CCCC4)sc2C1 ZINC001307652206 1049479495 /nfs/dbraw/zinc/47/94/95/1049479495.db2.gz QEEHPDLAWUAJLS-HNNXBMFYSA-N 1 0 387.549 3.718 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[N@@H+]2CCCC(C)(C)C2)o1 ZINC001289523131 1049523177 /nfs/dbraw/zinc/52/31/77/1049523177.db2.gz QYOSCGZZUAJHHH-INIZCTEOSA-N 1 0 384.528 3.707 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC001307730830 1049543887 /nfs/dbraw/zinc/54/38/87/1049543887.db2.gz YSGXHAQRDCRVOY-IBGZPJMESA-N 1 0 390.405 3.906 20 30 GHEDRO Cc1ccc(N2CCC[C@@H]([NH+]3CCC(Nc4ccccc4C#N)CC3)C2=O)cc1 ZINC001307966030 1049727105 /nfs/dbraw/zinc/72/71/05/1049727105.db2.gz ATTPDRKKIHNMGO-HSZRJFAPSA-N 1 0 388.515 3.939 20 30 GHEDRO CN(C)C(=O)[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001308108589 1049853166 /nfs/dbraw/zinc/85/31/66/1049853166.db2.gz IVRREFUJZUMWPK-HXUWFJFHSA-N 1 0 375.516 3.687 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCCSC[C@H]2C)c1C#N ZINC001308140481 1049878930 /nfs/dbraw/zinc/87/89/30/1049878930.db2.gz HAQPVGOUWVBTKB-OAHLLOKOSA-N 1 0 382.533 3.732 20 30 GHEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001308168918 1049898052 /nfs/dbraw/zinc/89/80/52/1049898052.db2.gz VVGIUWQDDJMGSH-PIIMJCKOSA-N 1 0 394.437 3.854 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CC2)C1 ZINC001291014180 1049971727 /nfs/dbraw/zinc/97/17/27/1049971727.db2.gz YQYIYSQROXSKLM-QZTJIDSGSA-N 1 0 392.551 3.783 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 ZINC001308435571 1049975570 /nfs/dbraw/zinc/97/55/70/1049975570.db2.gz MANCOXFWLKVWEH-IBGZPJMESA-N 1 0 386.540 3.914 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 ZINC001308435572 1049975628 /nfs/dbraw/zinc/97/56/28/1049975628.db2.gz MANCOXFWLKVWEH-LJQANCHMSA-N 1 0 386.540 3.914 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001308450887 1049979609 /nfs/dbraw/zinc/97/96/09/1049979609.db2.gz BZBXEHBAUDQBDN-UHFFFAOYSA-N 1 0 393.918 3.978 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC001308972298 1050233700 /nfs/dbraw/zinc/23/37/00/1050233700.db2.gz MWLKFXWMTLKPQU-CTYIDZIISA-N 1 0 394.313 3.714 20 30 GHEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C)c1ccccc1 ZINC001309014805 1050274193 /nfs/dbraw/zinc/27/41/93/1050274193.db2.gz YMAJKAHCIWCKQN-QFIPXVFZSA-N 1 0 399.560 3.678 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1 ZINC001327862127 1050302298 /nfs/dbraw/zinc/30/22/98/1050302298.db2.gz ABQWNOZRPCKNIW-WMTXJRDZSA-N 1 0 376.500 3.894 20 30 GHEDRO CN(C)c1cc(F)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1F ZINC001329008438 1050695468 /nfs/dbraw/zinc/69/54/68/1050695468.db2.gz JZJRYISOMLMWQT-UHFFFAOYSA-N 1 0 386.446 3.777 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC001329133824 1050729598 /nfs/dbraw/zinc/72/95/98/1050729598.db2.gz GKDYPDJWLNEGSA-UHFFFAOYSA-N 1 0 384.867 3.549 20 30 GHEDRO N#CCOc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001329224871 1050750250 /nfs/dbraw/zinc/75/02/50/1050750250.db2.gz KTERETZHUBSLTQ-QFIPXVFZSA-N 1 0 389.499 3.507 20 30 GHEDRO N#CCOc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001329224870 1050750604 /nfs/dbraw/zinc/75/06/04/1050750604.db2.gz KTERETZHUBSLTQ-JOCHJYFZSA-N 1 0 389.499 3.507 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001310210494 1051225170 /nfs/dbraw/zinc/22/51/70/1051225170.db2.gz AHYYSKOLEMSUPI-KRWDZBQOSA-N 1 0 379.464 3.551 20 30 GHEDRO C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC001310478604 1051384193 /nfs/dbraw/zinc/38/41/93/1051384193.db2.gz QRRJYBVGOBFRIN-CQSZACIVSA-N 1 0 386.293 3.821 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001310515009 1051410082 /nfs/dbraw/zinc/41/00/82/1051410082.db2.gz IQOVBVPQBNHLMV-OAQYLSRUSA-N 1 0 392.503 3.941 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC001310863757 1051663910 /nfs/dbraw/zinc/66/39/10/1051663910.db2.gz QGMRIVDQPOVRND-CYBMUJFWSA-N 1 0 382.302 3.620 20 30 GHEDRO C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(SC(F)(F)F)c1 ZINC001333296966 1051711680 /nfs/dbraw/zinc/71/16/80/1051711680.db2.gz DXBJFHLUOJLYNJ-MZYOMISDSA-N 1 0 383.439 3.615 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC001311155422 1051910175 /nfs/dbraw/zinc/91/01/75/1051910175.db2.gz QQRTUGLMBMPMCK-FQEVSTJZSA-N 1 0 377.492 3.522 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)ccc1OC ZINC001335468799 1052111446 /nfs/dbraw/zinc/11/14/46/1052111446.db2.gz WARLJAUREMWONK-SFHVURJKSA-N 1 0 382.460 3.761 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C[C@H](O)c3ccc(F)cc3Cl)CC2)c1 ZINC001336800696 1052337970 /nfs/dbraw/zinc/33/79/70/1052337970.db2.gz SPFBFNZKSARSIV-NRFANRHFSA-N 1 0 387.886 3.638 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC001336817418 1052342704 /nfs/dbraw/zinc/34/27/04/1052342704.db2.gz DPEYKVGNBBLQTG-PZJWPPBQSA-N 1 0 398.551 3.679 20 30 GHEDRO C[C@@H]1CCc2ccccc2N1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001337261319 1052435617 /nfs/dbraw/zinc/43/56/17/1052435617.db2.gz IODMZHACJPPQSP-HXUWFJFHSA-N 1 0 388.559 3.954 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@@H]3C3CC3)CC2)cc1 ZINC001312856147 1052894396 /nfs/dbraw/zinc/89/43/96/1052894396.db2.gz HQMUVXLIVVGTKE-FCHUYYIVSA-N 1 0 380.536 3.602 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CCCC(F)(F)C1 ZINC001342324380 1053109152 /nfs/dbraw/zinc/10/91/52/1053109152.db2.gz NPNKQEQGBDBEAH-MSOLQXFVSA-N 1 0 387.478 3.512 20 30 GHEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[NH+](C)C)C1CCCCC1 ZINC001313589212 1053118626 /nfs/dbraw/zinc/11/86/26/1053118626.db2.gz CDNMDSUMSUGMOS-KRWDZBQOSA-N 1 0 380.540 3.926 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC[C@@H](CC(F)(F)F)C1 ZINC001342356241 1053125911 /nfs/dbraw/zinc/12/59/11/1053125911.db2.gz VVJJEPSBYRGAHP-HOTGVXAUSA-N 1 0 385.478 3.832 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N(C)Cc1c(C)noc1C ZINC001342452123 1053176147 /nfs/dbraw/zinc/17/61/47/1053176147.db2.gz BTVIYGANFXRPSI-YQQQUEKLSA-N 1 0 398.555 3.511 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001313712254 1053184873 /nfs/dbraw/zinc/18/48/73/1053184873.db2.gz MDLXKDTZGOMJMI-WOJBJXKFSA-N 1 0 378.524 3.537 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001342727784 1053323380 /nfs/dbraw/zinc/32/33/80/1053323380.db2.gz RCIXCQHUQQXWSO-FQEVSTJZSA-N 1 0 392.551 3.755 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC(OC)CC1 ZINC001343007225 1053492719 /nfs/dbraw/zinc/49/27/19/1053492719.db2.gz LOZYWMAWHATOTQ-FQEVSTJZSA-N 1 0 387.572 3.939 20 30 GHEDRO CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCC1 ZINC001314768754 1053598325 /nfs/dbraw/zinc/59/83/25/1053598325.db2.gz ZJZXAKFVMIGZSI-UHFFFAOYSA-N 1 0 390.491 3.530 20 30 GHEDRO CN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314787823 1053611410 /nfs/dbraw/zinc/61/14/10/1053611410.db2.gz PZKWNGJPUGVLMC-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@](C)(CC)C1 ZINC001343233770 1053638940 /nfs/dbraw/zinc/63/89/40/1053638940.db2.gz ONQKDUAHWGYVMQ-DENIHFKCSA-N 1 0 387.572 3.797 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C[C@H]2C1 ZINC001343514960 1053834222 /nfs/dbraw/zinc/83/42/22/1053834222.db2.gz NBZCWCDKZRZZHC-XUVXKRRUSA-N 1 0 390.487 3.548 20 30 GHEDRO C#CCC(C)(C)c1nnc(N2CC[C@@H](C[NH+](CC)CC)C2)n1Cc1cccs1 ZINC001343642650 1053942965 /nfs/dbraw/zinc/94/29/65/1053942965.db2.gz GJCPBDFGFHPGPE-SFHVURJKSA-N 1 0 399.608 3.857 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001343652777 1053950580 /nfs/dbraw/zinc/95/05/80/1053950580.db2.gz FDTBVMMVQZRGEK-IAGOWNOFSA-N 1 0 381.515 3.753 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001343677174 1053966815 /nfs/dbraw/zinc/96/68/15/1053966815.db2.gz TUHMFBKYRYQBBC-PMACEKPBSA-N 1 0 394.567 3.713 20 30 GHEDRO C=C(C)Cn1c([C@H](C)C(C)(C)O)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001343758156 1054002014 /nfs/dbraw/zinc/00/20/14/1054002014.db2.gz AMZBEXYCBBAJNW-SFHVURJKSA-N 1 0 389.588 3.573 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001343928574 1054123912 /nfs/dbraw/zinc/12/39/12/1054123912.db2.gz QNIPDIQTJGRRFP-HXUWFJFHSA-N 1 0 388.604 3.568 20 30 GHEDRO C=C(C)Cn1c(-c2c(C)n[nH]c2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001344003350 1054178017 /nfs/dbraw/zinc/17/80/17/1054178017.db2.gz GZKMNMUIHCOCCC-UHFFFAOYSA-N 1 0 397.571 3.706 20 30 GHEDRO CC(C)[C@H]1C[C@@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001344039869 1054204798 /nfs/dbraw/zinc/20/47/98/1054204798.db2.gz ZAIHHICPGIXYMY-LEWJYISDSA-N 1 0 384.520 3.787 20 30 GHEDRO C=CCC[C@@H]1CCCN1c1nnc([C@H]2CCC[N@@H+](C)C2)n1C[C@H]1CCCCO1 ZINC001344299248 1054346184 /nfs/dbraw/zinc/34/61/84/1054346184.db2.gz ZDXCIOVGYNFPTO-XUVXKRRUSA-N 1 0 387.572 3.591 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2CC2CC2)C1 ZINC001345385992 1055016097 /nfs/dbraw/zinc/01/60/97/1055016097.db2.gz CGSJSFVRMWDOHH-WMZHIEFXSA-N 1 0 396.583 3.582 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC001345634546 1055176833 /nfs/dbraw/zinc/17/68/33/1055176833.db2.gz IMYFMBWRCXJYPO-OFNKIYASSA-N 1 0 377.488 3.953 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001319488672 1055285360 /nfs/dbraw/zinc/28/53/60/1055285360.db2.gz GKQJONUQAZDCBG-QGZVFWFLSA-N 1 0 376.460 3.702 20 30 GHEDRO C=C[C@H](COC)NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001320425779 1055798749 /nfs/dbraw/zinc/79/87/49/1055798749.db2.gz CMBKIPLSJNUDFY-JOCHJYFZSA-N 1 0 393.531 3.950 20 30 GHEDRO CC1CC[NH+](Cc2ccc(NS(=O)(=O)c3ccc(CC#N)cc3)cc2)CC1 ZINC001320602360 1055900480 /nfs/dbraw/zinc/90/04/80/1055900480.db2.gz QLZNVZXGPKOWJL-UHFFFAOYSA-N 1 0 383.517 3.785 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001320659024 1055919508 /nfs/dbraw/zinc/91/95/08/1055919508.db2.gz VWYJCWUMUIJGHW-UHFFFAOYSA-N 1 0 393.572 3.524 20 30 GHEDRO C=CC[C@H]1NC(=O)N(C[C@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)C1=O ZINC001320753703 1055950124 /nfs/dbraw/zinc/95/01/24/1055950124.db2.gz DEDVPXWDVJYWQN-HZPDHXFCSA-N 1 0 383.414 3.585 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001320914586 1056013630 /nfs/dbraw/zinc/01/36/30/1056013630.db2.gz QDJUTWQNYQSXKO-UHFFFAOYSA-N 1 0 386.381 3.564 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300449700 1056130281 /nfs/dbraw/zinc/13/02/81/1056130281.db2.gz MMRJRFJFAUUISO-JPYJTQIMSA-N 1 0 379.552 3.833 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(OCC#N)c1 ZINC001321241587 1056180487 /nfs/dbraw/zinc/18/04/87/1056180487.db2.gz QCUAQSINFQAYFR-JOCHJYFZSA-N 1 0 394.519 3.545 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)[C@@H](C)C1 ZINC001354158467 1056381576 /nfs/dbraw/zinc/38/15/76/1056381576.db2.gz MYIAAVYDMNRCLJ-AZUAARDMSA-N 1 0 394.567 3.684 20 30 GHEDRO C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001300537863 1056407406 /nfs/dbraw/zinc/40/74/06/1056407406.db2.gz KQRJOUKPAYEUCW-HXUWFJFHSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001300572683 1056513793 /nfs/dbraw/zinc/51/37/93/1056513793.db2.gz ZZUAKQKHDQYEBY-QFIPXVFZSA-N 1 0 391.563 3.774 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC1 ZINC001322170002 1056549814 /nfs/dbraw/zinc/54/98/14/1056549814.db2.gz JWUXIUOMDPBTTO-UHFFFAOYSA-N 1 0 378.520 3.513 20 30 GHEDRO N#Cc1cc(Cl)cc(Br)c1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001354484963 1056707332 /nfs/dbraw/zinc/70/73/32/1056707332.db2.gz JFUKHIHZNPXIRO-UHFFFAOYSA-N 1 0 398.732 3.712 20 30 GHEDRO C#CCN(CC)c1nnc(CCCc2ccccc2)n1CC1([NH+](C)C)CCCC1 ZINC001300635253 1056737682 /nfs/dbraw/zinc/73/76/82/1056737682.db2.gz ICOOUCIJOUNPDN-UHFFFAOYSA-N 1 0 393.579 3.787 20 30 GHEDRO C#CCSCCn1c(C2CCCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001300762979 1056994072 /nfs/dbraw/zinc/99/40/72/1056994072.db2.gz SOZAGAOMKQBYPT-UHFFFAOYSA-N 1 0 389.613 3.613 20 30 GHEDRO CN1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC001323999526 1057052613 /nfs/dbraw/zinc/05/26/13/1057052613.db2.gz MWTIECIXSFQTAL-GOTSBHOMSA-N 1 0 378.495 3.701 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(Br)cc2C#N)[C@H]1c1ccc(F)cc1 ZINC001324157152 1057081059 /nfs/dbraw/zinc/08/10/59/1057081059.db2.gz JQJXUYSIHHABRG-RBUKOAKNSA-N 1 0 388.284 3.995 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(C2CCC2)cc1 ZINC001355282415 1057105525 /nfs/dbraw/zinc/10/55/25/1057105525.db2.gz HFJQFRMBBZVVAK-UHFFFAOYSA-N 1 0 375.516 3.959 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCCCC3)CC2)nnc1C(C)(C)COC ZINC001355887288 1057305100 /nfs/dbraw/zinc/30/51/00/1057305100.db2.gz VFJCPBXKTRGMBX-UHFFFAOYSA-N 1 0 389.588 3.623 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC001355984312 1057344659 /nfs/dbraw/zinc/34/46/59/1057344659.db2.gz PNIOCQYJUBOIEL-UHFFFAOYSA-N 1 0 399.922 3.838 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC001325890056 1057381004 /nfs/dbraw/zinc/38/10/04/1057381004.db2.gz DPFSLLPRLRLVTF-NRFANRHFSA-N 1 0 396.922 3.967 20 30 GHEDRO C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001356116095 1057394785 /nfs/dbraw/zinc/39/47/85/1057394785.db2.gz NYIIIXAODUEQGN-UHFFFAOYSA-N 1 0 390.535 3.652 20 30 GHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001356129814 1057402048 /nfs/dbraw/zinc/40/20/48/1057402048.db2.gz FOQZLSCOQKWLBD-UHFFFAOYSA-N 1 0 398.511 3.658 20 30 GHEDRO CC1CCN([C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c2ccccc2)CC1 ZINC001326148452 1057422856 /nfs/dbraw/zinc/42/28/56/1057422856.db2.gz ZUQZQLJKEDGOBO-HSZRJFAPSA-N 1 0 390.531 3.950 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001326489818 1057495147 /nfs/dbraw/zinc/49/51/47/1057495147.db2.gz USSDZSNVLMIJLP-OAQYLSRUSA-N 1 0 376.500 3.683 20 30 GHEDRO CC(C)c1ccc([C@H](C[NH+]=C(N(C)C)N(C)C)NC(=O)OC(C)(C)C)cc1 ZINC000849068824 1057578931 /nfs/dbraw/zinc/57/89/31/1057578931.db2.gz QLGXULRSITXXSE-SFHVURJKSA-N 1 0 376.545 3.855 20 30 GHEDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC001327036587 1057588197 /nfs/dbraw/zinc/58/81/97/1057588197.db2.gz XHWSIGKDNULYSP-UHFFFAOYSA-N 1 0 391.562 3.576 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(C2CCCC2)n1 ZINC001357130413 1057611460 /nfs/dbraw/zinc/61/14/60/1057611460.db2.gz UPNRFFARRAQIET-UHFFFAOYSA-N 1 0 396.560 3.805 20 30 GHEDRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c(F)c1 ZINC001357242154 1057647525 /nfs/dbraw/zinc/64/75/25/1057647525.db2.gz NREWIDVJMWWNAA-HXUWFJFHSA-N 1 0 399.466 3.545 20 30 GHEDRO C#CCN(C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001439605299 1058225392 /nfs/dbraw/zinc/22/53/92/1058225392.db2.gz UUOGUGKQSBQINZ-IBGZPJMESA-N 1 0 376.500 3.677 20 30 GHEDRO CC[C@H](CNC(=O)[C@H](C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001441233778 1058729786 /nfs/dbraw/zinc/72/97/86/1058729786.db2.gz AOYGJICSTCSXRC-WZONZLPQSA-N 1 0 375.516 3.690 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001338782398 1058782535 /nfs/dbraw/zinc/78/25/35/1058782535.db2.gz ZGRJGGXJHIAVMU-OFNKIYASSA-N 1 0 377.488 3.640 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001338790269 1058786879 /nfs/dbraw/zinc/78/68/79/1058786879.db2.gz CLVPXHSNEUQLFH-QGZVFWFLSA-N 1 0 398.555 3.908 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001338851046 1058830890 /nfs/dbraw/zinc/83/08/90/1058830890.db2.gz HEPMUUXFJVDNIY-SFHVURJKSA-N 1 0 387.572 3.591 20 30 GHEDRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)C[C@H](C)C#N)c1 ZINC001442038186 1058906773 /nfs/dbraw/zinc/90/67/73/1058906773.db2.gz ZKGVJKYLKUOBQW-WTIAFYNJSA-N 1 0 375.516 3.829 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC001442661368 1058989896 /nfs/dbraw/zinc/98/98/96/1058989896.db2.gz KYEBYBOGWUSAKA-GGPKGHCWSA-N 1 0 396.535 3.531 20 30 GHEDRO CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001339326904 1059107848 /nfs/dbraw/zinc/10/78/48/1059107848.db2.gz LPLYDIKOBUKFBY-UHFFFAOYSA-N 1 0 392.551 3.876 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(Br)cn1CC)C(C)C ZINC001443421686 1059126403 /nfs/dbraw/zinc/12/64/03/1059126403.db2.gz DSFKFFDFVYKSLU-QGZVFWFLSA-N 1 0 382.346 3.699 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cc(Br)ccc1F)C(C)C ZINC001443422037 1059126985 /nfs/dbraw/zinc/12/69/85/1059126985.db2.gz DZWVVXFLSMBNEM-GOSISDBHSA-N 1 0 397.332 3.946 20 30 GHEDRO CCn1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nnc1C(C)(C)C#N ZINC001339382365 1059160163 /nfs/dbraw/zinc/16/01/63/1059160163.db2.gz LYFMZHQPMYLJPZ-VQTJNVASSA-N 1 0 392.551 3.590 20 30 GHEDRO CCn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)CC#N ZINC001339455015 1059226048 /nfs/dbraw/zinc/22/60/48/1059226048.db2.gz DOMUJRNPGRRPME-ICSRJNTNSA-N 1 0 394.567 3.979 20 30 GHEDRO CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001545966447 1059290681 /nfs/dbraw/zinc/29/06/81/1059290681.db2.gz FAAKFRIHYLRAOW-LJQANCHMSA-N 1 0 378.524 3.680 20 30 GHEDRO CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001339844374 1059514203 /nfs/dbraw/zinc/51/42/03/1059514203.db2.gz BCTGKVCQPCXNLI-FQEVSTJZSA-N 1 0 379.589 3.561 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC001445522057 1059550530 /nfs/dbraw/zinc/55/05/30/1059550530.db2.gz DDPARTRCKYVUJQ-KNQAVFIVSA-N 1 0 377.463 3.824 20 30 GHEDRO N#CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1 ZINC001445888068 1059647050 /nfs/dbraw/zinc/64/70/50/1059647050.db2.gz XFJNSPPRJBWCEJ-PMACEKPBSA-N 1 0 397.906 3.824 20 30 GHEDRO CC[C@@H](Cn1c(C2CC2)nnc1N(C)C[C@H](C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC001545981777 1059714724 /nfs/dbraw/zinc/71/47/24/1059714724.db2.gz BDPLLVTWPUQVEK-UTKZUKDTSA-N 1 0 392.551 3.588 20 30 GHEDRO CC[C@@H](Cn1c(C2CCC2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001545984120 1059751038 /nfs/dbraw/zinc/75/10/38/1059751038.db2.gz DHKPYVUREAUWAA-NRFANRHFSA-N 1 0 392.551 3.928 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001340223197 1059776325 /nfs/dbraw/zinc/77/63/25/1059776325.db2.gz BSVSPSLILFQHKG-UXHICEINSA-N 1 0 384.572 3.964 20 30 GHEDRO C=CCC[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC001446505374 1059784902 /nfs/dbraw/zinc/78/49/02/1059784902.db2.gz MRGMKFWYUDSTJA-HSZRJFAPSA-N 1 0 377.532 3.871 20 30 GHEDRO CCn1c(CCCC#N)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001340295585 1059836126 /nfs/dbraw/zinc/83/61/26/1059836126.db2.gz WAEBCEBMOUQFMA-ICSRJNTNSA-N 1 0 380.540 3.634 20 30 GHEDRO C=CCn1c(CCCC#N)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001340297100 1059837743 /nfs/dbraw/zinc/83/77/43/1059837743.db2.gz JKRCXEDBURKZBU-IBGZPJMESA-N 1 0 384.572 3.791 20 30 GHEDRO C=CCn1c(-c2cccc3ocnc32)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001340386738 1059905674 /nfs/dbraw/zinc/90/56/74/1059905674.db2.gz YXHNZPLRZXKDGQ-MRXNPFEDSA-N 1 0 392.507 3.583 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340521030 1059960975 /nfs/dbraw/zinc/96/09/75/1059960975.db2.gz SCMJIARIBPLJOP-UHFFFAOYSA-N 1 0 380.949 3.552 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001340641610 1060012604 /nfs/dbraw/zinc/01/26/04/1060012604.db2.gz OXKMJNXPMAEKKL-WBVHZDCISA-N 1 0 379.499 3.678 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001340777214 1060116309 /nfs/dbraw/zinc/11/63/09/1060116309.db2.gz KKRNQIGZHIEJQO-UYAOXDASSA-N 1 0 399.583 3.797 20 30 GHEDRO C#C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccc(Br)cc1 ZINC001450266664 1060565980 /nfs/dbraw/zinc/56/59/80/1060565980.db2.gz ACOHDPHRRYHYNJ-KRWDZBQOSA-N 1 0 377.326 3.752 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)c3sc(C4CC[NH2+]CC4)nc3C)cc2n1 ZINC001341385158 1060631698 /nfs/dbraw/zinc/63/16/98/1060631698.db2.gz NOUVQQNETJASBY-UHFFFAOYSA-N 1 0 381.505 3.707 20 30 GHEDRO C[C@H]1[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001450778390 1060685157 /nfs/dbraw/zinc/68/51/57/1060685157.db2.gz ABIAUXUBDJUNHF-OXJNMPFZSA-N 1 0 386.417 3.836 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001341719968 1060833990 /nfs/dbraw/zinc/83/39/90/1060833990.db2.gz DENSKSHDUSUQRP-UHFFFAOYSA-N 1 0 393.539 3.516 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1C ZINC001341756239 1060865399 /nfs/dbraw/zinc/86/53/99/1060865399.db2.gz ULYOVAXHERTSAW-MRXNPFEDSA-N 1 0 386.931 3.588 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2OC)cc1)C(C)C ZINC001341930099 1060955655 /nfs/dbraw/zinc/95/56/55/1060955655.db2.gz LWDYQZHLBKPLRA-IBGZPJMESA-N 1 0 393.487 3.887 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001342035011 1061011631 /nfs/dbraw/zinc/01/16/31/1061011631.db2.gz DXDWKIWYWPBBCK-LJQANCHMSA-N 1 0 384.572 3.964 20 30 GHEDRO C=C(C)Cn1c(-c2ncc(C)o2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342090816 1061051582 /nfs/dbraw/zinc/05/15/82/1061051582.db2.gz ZTAQICDEGFUDIQ-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001453642306 1061173196 /nfs/dbraw/zinc/17/31/96/1061173196.db2.gz OKDLWIHLDLOINV-WBVHZDCISA-N 1 0 399.963 3.546 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001342272285 1061195020 /nfs/dbraw/zinc/19/50/20/1061195020.db2.gz WSSIXSAXRKBRMX-NRFANRHFSA-N 1 0 395.551 3.589 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3C[C@H]3C#N)n2Cc2cccs2)CC1 ZINC001346076077 1061341907 /nfs/dbraw/zinc/34/19/07/1061341907.db2.gz VZTFVRQQDNWIST-HKUYNNGSSA-N 1 0 398.580 3.572 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001346209082 1061450344 /nfs/dbraw/zinc/45/03/44/1061450344.db2.gz DRTTYTRJJLMRKI-FRQCXROJSA-N 1 0 399.587 3.512 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C12CCC2 ZINC001454174099 1061637693 /nfs/dbraw/zinc/63/76/93/1061637693.db2.gz NWHIVOQDVIDNOH-YADHBBJMSA-N 1 0 389.499 3.740 20 30 GHEDRO CC(C)Cn1c(CCCCC#N)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001347587653 1062511008 /nfs/dbraw/zinc/51/10/08/1062511008.db2.gz RXJVYANLLFAUHQ-AZUAARDMSA-N 1 0 384.572 3.624 20 30 GHEDRO C#CC[C@@H](CC)c1nnc(Nc2cnn(C3CC[NH+](C)CC3)c2)n1CC(C)C ZINC001347714351 1062591609 /nfs/dbraw/zinc/59/16/09/1062591609.db2.gz UWYZCUBVXABFIH-QGZVFWFLSA-N 1 0 383.544 3.658 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001435421200 1062593579 /nfs/dbraw/zinc/59/35/79/1062593579.db2.gz CDALUQYMLVEKSM-WMZHIEFXSA-N 1 0 393.531 3.988 20 30 GHEDRO O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[N@@H+]2CC[C@H]1C2 ZINC001347748422 1062623121 /nfs/dbraw/zinc/62/31/21/1062623121.db2.gz ICPSKEICGMUOSX-LBPRGKRZSA-N 1 0 399.310 3.898 20 30 GHEDRO C#CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC001456443835 1062686827 /nfs/dbraw/zinc/68/68/27/1062686827.db2.gz FGHHLKMZJPTQAI-INIZCTEOSA-N 1 0 393.325 3.513 20 30 GHEDRO C#CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001435655918 1062818438 /nfs/dbraw/zinc/81/84/38/1062818438.db2.gz FDQFZDSEAZYJMV-YFNKSVMNSA-N 1 0 388.511 3.729 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)cc2)c1 ZINC001457595336 1063271380 /nfs/dbraw/zinc/27/13/80/1063271380.db2.gz HRAPGXPEJKBHLR-HXUWFJFHSA-N 1 0 398.466 3.997 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001436211055 1063293030 /nfs/dbraw/zinc/29/30/30/1063293030.db2.gz YKOMQRXOKFKACM-RUZDIDTESA-N 1 0 390.527 3.919 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])cc2)C1 ZINC001458112197 1063573634 /nfs/dbraw/zinc/57/36/34/1063573634.db2.gz NDXWLGYPJIGWQB-HZPDHXFCSA-N 1 0 379.464 3.951 20 30 GHEDRO CC[NH+](CC)CCn1c(NC(=O)c2ccc(C#N)cc2OC)nc2ccccc21 ZINC001349910361 1063940776 /nfs/dbraw/zinc/94/07/76/1063940776.db2.gz JTUSWFLEYIWSOZ-UHFFFAOYSA-N 1 0 391.475 3.511 20 30 GHEDRO C=CCn1c(SC[C@@H]2CCC[N@H+]2C)nc2sc3c(c2c1=O)CCCC3 ZINC001458818808 1063941228 /nfs/dbraw/zinc/94/12/28/1063941228.db2.gz NVNAVRHNMJKYSB-ZDUSSCGKSA-N 1 0 375.563 3.709 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC001459880780 1064255075 /nfs/dbraw/zinc/25/50/75/1064255075.db2.gz FNOBDDBVIJXUPE-TYPHKJRUSA-N 1 0 385.552 3.668 20 30 GHEDRO C=C(C)CS(=O)(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001463757536 1064590957 /nfs/dbraw/zinc/59/09/57/1064590957.db2.gz YTQXFDCJEZJDFC-NRFANRHFSA-N 1 0 378.582 3.557 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C ZINC001352101561 1064833857 /nfs/dbraw/zinc/83/38/57/1064833857.db2.gz GTDIDZKNBMRJPZ-OAHLLOKOSA-N 1 0 388.585 3.798 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@](C)(CC)C1 ZINC001352149617 1064885592 /nfs/dbraw/zinc/88/55/92/1064885592.db2.gz CHJHSFLKONTNEX-KNQAVFIVSA-N 1 0 387.572 3.797 20 30 GHEDRO CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC(CC#N)CC1 ZINC001352636616 1065195235 /nfs/dbraw/zinc/19/52/35/1065195235.db2.gz HASNUAYVPCMPGX-OAQYLSRUSA-N 1 0 392.551 3.808 20 30 GHEDRO CCCCCCCCCCNC(=S)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001200212729 1065599253 /nfs/dbraw/zinc/59/92/53/1065599253.db2.gz OKVVHGVZBRWGAZ-UHFFFAOYSA-N 1 0 382.662 3.715 20 30 GHEDRO N#C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001465587903 1065731433 /nfs/dbraw/zinc/73/14/33/1065731433.db2.gz MKSCAHWYNVAUIZ-KRWDZBQOSA-N 1 0 381.398 3.531 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001300272208 1065901074 /nfs/dbraw/zinc/90/10/74/1065901074.db2.gz LTQFJGJEVNMFHS-SFHVURJKSA-N 1 0 381.568 3.924 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC1CC[NH+](CCC)CC1 ZINC001300314436 1065974548 /nfs/dbraw/zinc/97/45/48/1065974548.db2.gz XHFWDVSPBMQPGA-SFHVURJKSA-N 1 0 397.542 3.588 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300318343 1065981664 /nfs/dbraw/zinc/98/16/64/1065981664.db2.gz ZVYKWLXGSJMNCL-QHAWAJNXSA-N 1 0 393.579 3.642 20 30 GHEDRO N#CC1(COC(=O)c2ccccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000847746076 1066018002 /nfs/dbraw/zinc/01/80/02/1066018002.db2.gz XVJLUNGBIQRCAA-UHFFFAOYSA-N 1 0 379.416 3.558 20 30 GHEDRO CC[C@@H]1C[C@@H](CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000847747322 1066023787 /nfs/dbraw/zinc/02/37/87/1066023787.db2.gz GKNIXTBXYKNDAL-LEWJYISDSA-N 1 0 384.520 3.931 20 30 GHEDRO Cc1ccn2ncc(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000847747167 1066024695 /nfs/dbraw/zinc/02/46/95/1066024695.db2.gz XYFGZPMAGBCLDO-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO Cc1ncccc1/C=C/C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746953 1066025713 /nfs/dbraw/zinc/02/57/13/1066025713.db2.gz SVAZESXWZNQPTM-MDZDMXLPSA-N 1 0 375.472 3.752 20 30 GHEDRO CSc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000847748127 1066030504 /nfs/dbraw/zinc/03/05/04/1066030504.db2.gz YDLVTUPXUZUDKV-UHFFFAOYSA-N 1 0 381.501 3.766 20 30 GHEDRO N#CC1(COC(=O)c2ccc3c(c2)COC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847749659 1066034513 /nfs/dbraw/zinc/03/45/13/1066034513.db2.gz XWMXXUXCMARYQQ-UHFFFAOYSA-N 1 0 376.456 3.680 20 30 GHEDRO N#CC1(COC(=O)Cc2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000847749618 1066034921 /nfs/dbraw/zinc/03/49/21/1066034921.db2.gz WRMOYAONARAACW-UHFFFAOYSA-N 1 0 384.426 3.856 20 30 GHEDRO C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300349377 1066066969 /nfs/dbraw/zinc/06/69/69/1066066969.db2.gz YUXALYNAODTPPC-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)[C@H]2C1 ZINC001466277322 1066069457 /nfs/dbraw/zinc/06/94/57/1066069457.db2.gz NNYIHDRBWKVIAT-YSSFQJQWSA-N 1 0 376.460 3.812 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC(F)(F)F ZINC001466342891 1066103083 /nfs/dbraw/zinc/10/30/83/1066103083.db2.gz FTDOCAXJZVFEFL-LSDHHAIUSA-N 1 0 382.386 3.595 20 30 GHEDRO C#CCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001300399774 1066220673 /nfs/dbraw/zinc/22/06/73/1066220673.db2.gz QTPIKQYBLGQYNO-IBGZPJMESA-N 1 0 395.526 3.810 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCC[N@H+]1CC ZINC001300430150 1066311903 /nfs/dbraw/zinc/31/19/03/1066311903.db2.gz IEVVFYGBAWLSAJ-ROUUACIJSA-N 1 0 399.514 3.501 20 30 GHEDRO N#Cc1ccc(F)c(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC001466788116 1066314849 /nfs/dbraw/zinc/31/48/49/1066314849.db2.gz BVVBDBIOYPUPRH-UHFFFAOYSA-N 1 0 380.467 3.870 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300432245 1066316152 /nfs/dbraw/zinc/31/61/52/1066316152.db2.gz UMACGEDBWMQKDJ-FPOVZHCZSA-N 1 0 379.552 3.621 20 30 GHEDRO COc1ncc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1C#N ZINC001467268807 1067189174 /nfs/dbraw/zinc/18/91/74/1067189174.db2.gz BOHRMLPYGVLSPZ-MRXNPFEDSA-N 1 0 393.491 3.658 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC001467307751 1067215024 /nfs/dbraw/zinc/21/50/24/1067215024.db2.gz JKIXLWJHIHYIQC-IBGZPJMESA-N 1 0 390.405 3.750 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)cc2n1 ZINC001467354155 1067246081 /nfs/dbraw/zinc/24/60/81/1067246081.db2.gz XTYUZWFSPRSTMV-UHFFFAOYSA-N 1 0 383.521 3.880 20 30 GHEDRO CN1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C[C@@H]1Cc1ccccc1 ZINC001467861939 1067502712 /nfs/dbraw/zinc/50/27/12/1067502712.db2.gz VSPDUCFBMGMYRP-QHCPKHFHSA-N 1 0 387.527 3.755 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001468055629 1067581847 /nfs/dbraw/zinc/58/18/47/1067581847.db2.gz PXQDTQSUBPVJKC-UHFFFAOYSA-N 1 0 390.531 3.975 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001358892620 1067599082 /nfs/dbraw/zinc/59/90/82/1067599082.db2.gz CWMBMNQBPKSFOB-GOSISDBHSA-N 1 0 397.542 3.730 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358893340 1067599789 /nfs/dbraw/zinc/59/97/89/1067599789.db2.gz SDVNWQYPKWVHBM-GBESFXJTSA-N 1 0 397.542 3.586 20 30 GHEDRO C#CCCCn1c(CC2CC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001358932612 1067618538 /nfs/dbraw/zinc/61/85/38/1067618538.db2.gz QGWCYPRJFTWFSM-QFIPXVFZSA-N 1 0 391.563 3.745 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001358939427 1067621347 /nfs/dbraw/zinc/62/13/47/1067621347.db2.gz WQVOJMYRBIRROS-UYAOXDASSA-N 1 0 395.551 3.589 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)C)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001358985069 1067635153 /nfs/dbraw/zinc/63/51/53/1067635153.db2.gz OFOZZDSBLKSJRR-FQEVSTJZSA-N 1 0 391.563 3.994 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001358992537 1067638899 /nfs/dbraw/zinc/63/88/99/1067638899.db2.gz OKYTXVYUZLHEQG-SFTDATJTSA-N 1 0 395.595 3.767 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359005475 1067647041 /nfs/dbraw/zinc/64/70/41/1067647041.db2.gz JYUUTJHTQWQQNY-UHFFFAOYSA-N 1 0 379.552 3.917 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](CC)[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001359124889 1067698586 /nfs/dbraw/zinc/69/85/86/1067698586.db2.gz IKFDOHIDIBYUSE-LJQANCHMSA-N 1 0 379.552 3.855 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000849098796 1067725899 /nfs/dbraw/zinc/72/58/99/1067725899.db2.gz ADDBJVAUXKMOCB-UHFFFAOYSA-N 1 0 377.366 3.711 20 30 GHEDRO C=CC1CCN(c2nnc(C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001359173882 1067728704 /nfs/dbraw/zinc/72/87/04/1067728704.db2.gz QTQGDVDDNRZQOV-QFIPXVFZSA-N 1 0 379.552 3.554 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCCCC2)CC1 ZINC001359177617 1067736854 /nfs/dbraw/zinc/73/68/54/1067736854.db2.gz VAKLQISPISQIPL-UHFFFAOYSA-N 1 0 380.540 3.537 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCC[N@H+]1CC ZINC001359232511 1067833956 /nfs/dbraw/zinc/83/39/56/1067833956.db2.gz WRKSYDZCKLIJES-SJORKVTESA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[NH+]1CCCC1 ZINC001359233732 1067836902 /nfs/dbraw/zinc/83/69/02/1067836902.db2.gz PNCIKPLDKAJTLM-UHFFFAOYSA-N 1 0 391.466 3.655 20 30 GHEDRO C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359240937 1067851083 /nfs/dbraw/zinc/85/10/83/1067851083.db2.gz AHGWMQPOZWXUHV-INIZCTEOSA-N 1 0 389.494 3.501 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001359244308 1067857341 /nfs/dbraw/zinc/85/73/41/1067857341.db2.gz YHZNFOYZHWWEDK-HXUWFJFHSA-N 1 0 397.567 3.828 20 30 GHEDRO C=CCN(c1nnc(-c2ccccc2C)n1CCCC[NH+]1CCOCC1)C1CC1 ZINC001359249310 1067895057 /nfs/dbraw/zinc/89/50/57/1067895057.db2.gz WAHZVNDXLCBBNM-UHFFFAOYSA-N 1 0 395.551 3.521 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001359258256 1067919825 /nfs/dbraw/zinc/91/98/25/1067919825.db2.gz KQLADTQQQMZTIU-FQEVSTJZSA-N 1 0 390.535 3.808 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359269422 1067934850 /nfs/dbraw/zinc/93/48/50/1067934850.db2.gz AREUWFHZFLIVCG-SFHVURJKSA-N 1 0 383.515 3.995 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001359276110 1067945410 /nfs/dbraw/zinc/94/54/10/1067945410.db2.gz SDSXWMYKJDSYHZ-GOSISDBHSA-N 1 0 385.556 3.746 20 30 GHEDRO N#Cc1ccc([C@H]2CN(C(=O)NCCCCCCC[NH+]3CCCC3)CCO2)cc1 ZINC001469136089 1067991018 /nfs/dbraw/zinc/99/10/18/1067991018.db2.gz OXFUYSLFMHTKDF-JOCHJYFZSA-N 1 0 398.551 3.687 20 30 GHEDRO CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC1)[NH+](C)C ZINC001359766933 1068176451 /nfs/dbraw/zinc/17/64/51/1068176451.db2.gz XPABMRMBADWSRC-FQEVSTJZSA-N 1 0 380.540 3.639 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cc(C#N)cs1 ZINC001469900359 1068459524 /nfs/dbraw/zinc/45/95/24/1068459524.db2.gz KKDRIRKTRUECCX-HXUWFJFHSA-N 1 0 384.549 3.918 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001360477844 1068524421 /nfs/dbraw/zinc/52/44/21/1068524421.db2.gz BXZPGSICJGUFEI-PKOBYXMFSA-N 1 0 382.556 3.908 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1c1ccc(Br)cc1OC ZINC001470109198 1068576789 /nfs/dbraw/zinc/57/67/89/1068576789.db2.gz KAYOHOHWGXGRIO-INIZCTEOSA-N 1 0 381.314 3.629 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1C#N ZINC001478228416 1078774960 /nfs/dbraw/zinc/77/49/60/1078774960.db2.gz GFVNDRNSDHIYOC-UYAOXDASSA-N 1 0 398.507 3.664 20 30 GHEDRO C#C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC001460312709 1068919778 /nfs/dbraw/zinc/91/97/78/1068919778.db2.gz YYHLBOQYXWVIBR-SIKLNZKXSA-N 1 0 385.511 3.761 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001460340230 1068933282 /nfs/dbraw/zinc/93/32/82/1068933282.db2.gz JSPRKGHURQKLTL-RBUKOAKNSA-N 1 0 391.515 3.992 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC001460511459 1068983274 /nfs/dbraw/zinc/98/32/74/1068983274.db2.gz HFTYGNMAWBISBD-SFHVURJKSA-N 1 0 384.524 3.780 20 30 GHEDRO COc1ccc(C#N)cc1CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460642587 1069051411 /nfs/dbraw/zinc/05/14/11/1069051411.db2.gz QIJXGEYNOCEJGM-ZEQRLZLVSA-N 1 0 375.516 3.911 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1OC ZINC001460652531 1069058948 /nfs/dbraw/zinc/05/89/48/1069058948.db2.gz SODREPBZQBVSEV-VQTJNVASSA-N 1 0 393.487 3.812 20 30 GHEDRO CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001460812558 1069196574 /nfs/dbraw/zinc/19/65/74/1069196574.db2.gz DCFZODYHZNEVNI-KRWDZBQOSA-N 1 0 381.867 3.728 20 30 GHEDRO C[C@@H]1CCC[C@@H](C2CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C2)C1 ZINC001470672544 1072681033 /nfs/dbraw/zinc/68/10/33/1072681033.db2.gz VAWGKCSCGKPPCW-WIYYLYMNSA-N 1 0 394.563 3.990 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC001478745581 1078973864 /nfs/dbraw/zinc/97/38/64/1078973864.db2.gz GBVFRVXUPNZUEA-VGSWGCGISA-N 1 0 376.504 3.755 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001470936481 1072829791 /nfs/dbraw/zinc/82/97/91/1072829791.db2.gz RTBDLIZPUDRHSQ-CEMLEFRQSA-N 1 0 379.548 3.780 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001470949318 1072839904 /nfs/dbraw/zinc/83/99/04/1072839904.db2.gz AZPMRHGDEKYVPS-UHFFFAOYSA-N 1 0 394.494 3.799 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)CNc2ccc(C#N)cc2)CCCCC1 ZINC001471729205 1073198186 /nfs/dbraw/zinc/19/81/86/1073198186.db2.gz GIJIKSLVFSRNHP-UHFFFAOYSA-N 1 0 390.531 3.921 20 30 GHEDRO CC(C)Cc1ccc([C@H](NC(=O)NCC#CC[NH+](C)C)c2cccs2)cc1 ZINC001479171637 1079133391 /nfs/dbraw/zinc/13/33/91/1079133391.db2.gz DYBAQLWGKVDXBZ-NRFANRHFSA-N 1 0 383.561 3.900 20 30 GHEDRO CC#CCCSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC001472929939 1073728675 /nfs/dbraw/zinc/72/86/75/1073728675.db2.gz KZQWKZMFKSSVPW-UHFFFAOYSA-N 1 0 389.590 3.794 20 30 GHEDRO C#Cc1ccc(NC(=O)CCN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001473175147 1073830598 /nfs/dbraw/zinc/83/05/98/1073830598.db2.gz GRKBEJPOIFYEOI-FQEVSTJZSA-N 1 0 375.516 3.593 20 30 GHEDRO CC(C)C[C@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001473276222 1073902855 /nfs/dbraw/zinc/90/28/55/1073902855.db2.gz YLKYQSKSLNJIRZ-GOSISDBHSA-N 1 0 380.454 3.931 20 30 GHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc(C#N)c1 ZINC001473387892 1073945196 /nfs/dbraw/zinc/94/51/96/1073945196.db2.gz NEXSOZYIBWDIKJ-PXAZEXFGSA-N 1 0 375.266 3.714 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473451138 1073969881 /nfs/dbraw/zinc/96/98/81/1073969881.db2.gz DSXWZYGOMSUCNB-HBUWYVDXSA-N 1 0 388.468 3.590 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C(C)(C)C[NH+]2CCCC2)c1C#N ZINC001473567907 1074020653 /nfs/dbraw/zinc/02/06/53/1074020653.db2.gz ALCCAOBLNSAWQV-UHFFFAOYSA-N 1 0 399.583 3.836 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001473585171 1074032187 /nfs/dbraw/zinc/03/21/87/1074032187.db2.gz FVWZFYURJBQWQZ-UGKGYDQZSA-N 1 0 377.488 3.784 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1 ZINC001473599336 1074040190 /nfs/dbraw/zinc/04/01/90/1074040190.db2.gz KPHJSLNKRCTOPM-CTNGQTDRSA-N 1 0 384.568 3.601 20 30 GHEDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001473645501 1074064505 /nfs/dbraw/zinc/06/45/05/1074064505.db2.gz LWRLEPVMQADXAH-AUSIDOKSSA-N 1 0 390.531 3.728 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC001473679423 1074081569 /nfs/dbraw/zinc/08/15/69/1074081569.db2.gz QYPZQMOEPKDPPE-NZQKXSOJSA-N 1 0 390.531 3.841 20 30 GHEDRO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001473681986 1074084155 /nfs/dbraw/zinc/08/41/55/1074084155.db2.gz VLMBJCLNBYRJQN-HXUWFJFHSA-N 1 0 378.520 3.701 20 30 GHEDRO CO[C@H](C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CCC1 ZINC001473847350 1074172866 /nfs/dbraw/zinc/17/28/66/1074172866.db2.gz AJFGPLBEXDYORP-GMTAPVOTSA-N 1 0 381.307 3.904 20 30 GHEDRO C=CC[C@@H](C(=O)OC)[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001473851644 1074175454 /nfs/dbraw/zinc/17/54/54/1074175454.db2.gz GPQVARCABAOXPV-HKUYNNGSSA-N 1 0 394.556 3.853 20 30 GHEDRO CSCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC001473861912 1074179016 /nfs/dbraw/zinc/17/90/16/1074179016.db2.gz QHZGNJSPTZLMJM-UHFFFAOYSA-N 1 0 388.512 3.775 20 30 GHEDRO COc1ccc(C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCO)cc1 ZINC001473867059 1074181649 /nfs/dbraw/zinc/18/16/49/1074181649.db2.gz PYWSIDRLNICLME-UHFFFAOYSA-N 1 0 377.406 3.950 20 30 GHEDRO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CCCSCC#N)CC2 ZINC001473876972 1074187492 /nfs/dbraw/zinc/18/74/92/1074187492.db2.gz JOYYBSDNZNTBNN-QGZVFWFLSA-N 1 0 381.586 3.991 20 30 GHEDRO CN(C)c1ccc(C#N)cc1CNc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001473943632 1074213805 /nfs/dbraw/zinc/21/38/05/1074213805.db2.gz GTDQNKHTJJXWRE-UHFFFAOYSA-N 1 0 377.536 3.767 20 30 GHEDRO C[C@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)Oc1cccc(Br)c1 ZINC001474030904 1074242173 /nfs/dbraw/zinc/24/21/73/1074242173.db2.gz PMFMXJLVMWVHTQ-CQSZACIVSA-N 1 0 388.309 3.944 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3c(C)cc(C#N)cc3C)C2)c1 ZINC001474068403 1074253067 /nfs/dbraw/zinc/25/30/67/1074253067.db2.gz WCDQZAFGVMUANB-GOSISDBHSA-N 1 0 379.504 3.808 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC001474238061 1074304284 /nfs/dbraw/zinc/30/42/84/1074304284.db2.gz MKJFGHNXPIUDIJ-WOVMCDHWSA-N 1 0 376.497 3.522 20 30 GHEDRO Cc1cccc(CN2CCO[C@H](C[NH2+]Cc3cccc(OCCCC#N)c3)C2)c1 ZINC001474238228 1074304442 /nfs/dbraw/zinc/30/44/42/1074304442.db2.gz IIDHCXPPTBONRH-XMMPIXPASA-N 1 0 393.531 3.668 20 30 GHEDRO C[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001493408235 1079266419 /nfs/dbraw/zinc/26/64/19/1079266419.db2.gz YTENNHKKIIUHRI-MOPGFXCFSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1 ZINC001493741832 1079291626 /nfs/dbraw/zinc/29/16/26/1079291626.db2.gz YPUAIRIDNQCVJT-SFHVURJKSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCCS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001474906506 1074625242 /nfs/dbraw/zinc/62/52/42/1074625242.db2.gz ARYZZMILPFRIET-UHFFFAOYSA-N 1 0 391.364 3.797 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1(C)C ZINC001493841823 1079302601 /nfs/dbraw/zinc/30/26/01/1079302601.db2.gz JFFTWKASWXACRI-KRWDZBQOSA-N 1 0 378.524 3.680 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001475044739 1074707082 /nfs/dbraw/zinc/70/70/82/1074707082.db2.gz IYYQTQZYSXKNRQ-UHFFFAOYSA-N 1 0 378.582 3.842 20 30 GHEDRO C[NH2+]C1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCC1 ZINC001476011814 1075068403 /nfs/dbraw/zinc/06/84/03/1075068403.db2.gz ZGCIJVOVPPLHFB-UHFFFAOYSA-N 1 0 378.476 3.595 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC[N@@H+]1CCc2sccc2C1 ZINC001495049631 1079378190 /nfs/dbraw/zinc/37/81/90/1079378190.db2.gz MQQAAHVXLKGZNI-JKSUJKDBSA-N 1 0 386.569 3.650 20 30 GHEDRO CC[C@@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[NH+]1CCCC1 ZINC001495237302 1079394706 /nfs/dbraw/zinc/39/47/06/1079394706.db2.gz QYMWLBMVGZLBCV-GOSISDBHSA-N 1 0 392.551 3.928 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1 ZINC001496125766 1079457164 /nfs/dbraw/zinc/45/71/64/1079457164.db2.gz ZUDBCKHSJPEJMM-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001501460211 1079626119 /nfs/dbraw/zinc/62/61/19/1079626119.db2.gz RMPSRGSWUJIYTP-VGSWGCGISA-N 1 0 380.540 3.783 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001501975872 1079629025 /nfs/dbraw/zinc/62/90/25/1079629025.db2.gz WTERQIKIMGZPKI-IIBYNOLFSA-N 1 0 384.528 3.707 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1OC ZINC001560440946 1126210546 /nfs/dbraw/zinc/21/05/46/1126210546.db2.gz LKMVPNRVIMKSKQ-SFHVURJKSA-N 1 0 375.896 3.915 20 30 GHEDRO C=CCCC[N@@H+](C)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000735412874 599475796 /nfs/dbraw/zinc/47/57/96/599475796.db2.gz MFMKMWSFNINSJY-UHFFFAOYSA-N 1 0 393.491 3.852 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C1 ZINC000736756887 600592939 /nfs/dbraw/zinc/59/29/39/600592939.db2.gz XIGSQTKENMLFLO-PNCHPQGNSA-N 1 0 391.515 3.952 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C1 ZINC000828266076 601300210 /nfs/dbraw/zinc/30/02/10/601300210.db2.gz ODUCCGQMRWUZIT-VGOFRKELSA-N 1 0 377.488 3.706 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828161115 601300259 /nfs/dbraw/zinc/30/02/59/601300259.db2.gz MQYDRMAWOIEGMY-PMAPCBKXSA-N 1 0 391.515 3.952 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C1 ZINC000828266074 601300364 /nfs/dbraw/zinc/30/03/64/601300364.db2.gz ODUCCGQMRWUZIT-JTSKRJEESA-N 1 0 377.488 3.706 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830857038 601313610 /nfs/dbraw/zinc/31/36/10/601313610.db2.gz RDKCNZFKIBMUJL-QFIPXVFZSA-N 1 0 377.488 3.528 20 30 GHEDRO N#Cc1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc(Cl)n1 ZINC001164414728 718880468 /nfs/dbraw/zinc/88/04/68/718880468.db2.gz WQPARRLBPQYTGT-GFCCVEGCSA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621275 719045336 /nfs/dbraw/zinc/04/53/36/719045336.db2.gz IEJCOFFXXKBHBX-QFBILLFUSA-N 1 0 388.849 3.735 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C)cc2C=NO)CC3)cs1 ZINC001164693078 719812018 /nfs/dbraw/zinc/81/20/18/719812018.db2.gz TXEBCFRJQCSGAP-UHFFFAOYSA-N 1 0 385.537 3.598 20 30 GHEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001164734892 720544691 /nfs/dbraw/zinc/54/46/91/720544691.db2.gz LAWNZPQOOHSLGU-OAHLLOKOSA-N 1 0 398.885 3.668 20 30 GHEDRO Cc1ccc(C#N)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841142 720672110 /nfs/dbraw/zinc/67/21/10/720672110.db2.gz PJCBSVXAINGUTK-OAQYLSRUSA-N 1 0 376.504 3.522 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(Cl)c1C#N)CC2 ZINC001164844271 720674343 /nfs/dbraw/zinc/67/43/43/720674343.db2.gz ZVEHMOGEULKQPU-SFHVURJKSA-N 1 0 396.922 3.867 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(F)cc3C#N)C[C@@H]21 ZINC001165019624 721800410 /nfs/dbraw/zinc/80/04/10/721800410.db2.gz DJFNQDOSLWDSEW-DKSSEZFCSA-N 1 0 399.901 3.878 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3C#N)C[C@@H]21 ZINC001165025457 721819952 /nfs/dbraw/zinc/81/99/52/721819952.db2.gz MURYFBXRGBJDIW-RYGJVYDSSA-N 1 0 381.911 3.739 20 30 GHEDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1CC#N ZINC001165029669 721826009 /nfs/dbraw/zinc/82/60/09/721826009.db2.gz XLCVZDDERLGXRN-ILWGZMRPSA-N 1 0 375.520 3.588 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c1-2 ZINC001164995385 722206487 /nfs/dbraw/zinc/20/64/87/722206487.db2.gz NAQBRJKDDCVQHR-JOCHJYFZSA-N 1 0 375.451 3.819 20 30 GHEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1 ZINC000433321552 844011521 /nfs/dbraw/zinc/01/15/21/844011521.db2.gz YDIPWKQICWNQDC-UHFFFAOYSA-N 1 0 375.476 3.806 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000176717743 837512914 /nfs/dbraw/zinc/51/29/14/837512914.db2.gz WNTWKNZSLWUSAZ-MBSDFSHPSA-N 1 0 391.515 3.794 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CCCCC1 ZINC000177995383 837532932 /nfs/dbraw/zinc/53/29/32/837532932.db2.gz RIEPRGIERDVWEG-NHCUHLMSSA-N 1 0 383.536 3.697 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000106034690 837663898 /nfs/dbraw/zinc/66/38/98/837663898.db2.gz FYKVOMPXMJIESC-UHFFFAOYSA-N 1 0 398.576 3.669 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180891009 837666443 /nfs/dbraw/zinc/66/64/43/837666443.db2.gz CIWIUVFSXMEUDW-QGZVFWFLSA-N 1 0 391.496 3.745 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cc2)C1 ZINC000173341000 837691992 /nfs/dbraw/zinc/69/19/92/837691992.db2.gz YURMTTZXHDXDFB-HDICACEKSA-N 1 0 394.523 3.596 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)c1C#N ZINC000066534920 837701664 /nfs/dbraw/zinc/70/16/64/837701664.db2.gz SQFMYKABRKVWCW-HXUWFJFHSA-N 1 0 397.567 3.590 20 30 GHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)O1 ZINC000581842588 837730943 /nfs/dbraw/zinc/73/09/43/837730943.db2.gz RNXDTAVSBJXEEL-GJZGRUSLSA-N 1 0 375.538 3.717 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]CCC(=O)Nc3cccc(Cl)c3)CC2)nc1 ZINC000581879664 837739885 /nfs/dbraw/zinc/73/98/85/837739885.db2.gz UOYGHXJTKKZIDR-UHFFFAOYSA-N 1 0 398.894 3.915 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000583453431 834403381 /nfs/dbraw/zinc/40/33/81/834403381.db2.gz RIJKNEJAAJCRJR-UHFFFAOYSA-N 1 0 399.539 3.505 20 30 GHEDRO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1F ZINC001204414908 834494869 /nfs/dbraw/zinc/49/48/69/834494869.db2.gz JZQGGVMPRXREJG-STQMWFEESA-N 1 0 375.284 3.813 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3C)c2C(F)F)CC1 ZINC000654749127 834497590 /nfs/dbraw/zinc/49/75/90/834497590.db2.gz LWOMGIBIOFLUCL-UHFFFAOYSA-N 1 0 388.462 3.889 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000278311138 834626632 /nfs/dbraw/zinc/62/66/32/834626632.db2.gz FGHZMLYJVNFKPN-APWZRJJASA-N 1 0 392.425 3.599 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458619235 834788549 /nfs/dbraw/zinc/78/85/49/834788549.db2.gz NSJAJAVEHCGEFF-PBHICJAKSA-N 1 0 380.895 3.711 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000143230631 834793056 /nfs/dbraw/zinc/79/30/56/834793056.db2.gz ASNRWAOEURZVHX-GCJKJVERSA-N 1 0 377.488 3.587 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)s1 ZINC000176959344 837819045 /nfs/dbraw/zinc/81/90/45/837819045.db2.gz MBXFKUMROIGLBZ-SFHVURJKSA-N 1 0 395.450 3.802 20 30 GHEDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)c21 ZINC000433324866 844016813 /nfs/dbraw/zinc/01/68/13/844016813.db2.gz GCDMNPQKUXEQOE-UHFFFAOYSA-N 1 0 384.487 3.981 20 30 GHEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccc(F)cc1 ZINC000278780706 835078380 /nfs/dbraw/zinc/07/83/80/835078380.db2.gz ZFUNNWVSCBXSCO-MRXNPFEDSA-N 1 0 379.439 3.555 20 30 GHEDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000611941360 835090982 /nfs/dbraw/zinc/09/09/82/835090982.db2.gz RRDBHMMCEFALGG-IAGOWNOFSA-N 1 0 380.492 3.639 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c(-c2ccncc2)n1 ZINC000433328288 844019105 /nfs/dbraw/zinc/01/91/05/844019105.db2.gz VXSCPVIQKRLPPU-UHFFFAOYSA-N 1 0 388.450 3.811 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000685545063 835145181 /nfs/dbraw/zinc/14/51/81/835145181.db2.gz FLSJVKYISWLHSF-IBGZPJMESA-N 1 0 388.519 3.545 20 30 GHEDRO C[C@@H](Sc1ccc(C#N)cc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000610219084 835198673 /nfs/dbraw/zinc/19/86/73/835198673.db2.gz UDHNXTLWMJWJGO-MRXNPFEDSA-N 1 0 397.519 3.959 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000175333148 835311252 /nfs/dbraw/zinc/31/12/52/835311252.db2.gz RMTHAVKKZFAIDM-UHFFFAOYSA-N 1 0 395.528 3.552 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)C[C@@H](C)O1 ZINC000157663220 835331821 /nfs/dbraw/zinc/33/18/21/835331821.db2.gz QBFNXLJEYJWPIN-HZPDHXFCSA-N 1 0 380.448 3.688 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000458760533 835407726 /nfs/dbraw/zinc/40/77/26/835407726.db2.gz NQGJRPKLZZQXAY-NRFANRHFSA-N 1 0 398.482 3.587 20 30 GHEDRO C[C@@H]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000433369461 844055783 /nfs/dbraw/zinc/05/57/83/844055783.db2.gz XCLFUXJTWKMVJZ-NFBKMPQASA-N 1 0 375.516 3.882 20 30 GHEDRO Cc1cc(C)cc(NC(=O)[C@@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255696425 835585770 /nfs/dbraw/zinc/58/57/70/835585770.db2.gz UVPIXCHBNRZHLQ-GOSISDBHSA-N 1 0 381.476 3.518 20 30 GHEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000612137636 835651039 /nfs/dbraw/zinc/65/10/39/835651039.db2.gz KUXWLXQMSDMMQM-MONBJTKQSA-N 1 0 380.488 3.584 20 30 GHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000584131277 835674482 /nfs/dbraw/zinc/67/44/82/835674482.db2.gz NYHNQSSBTRVDDZ-CQSZACIVSA-N 1 0 385.327 3.587 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(CCCO)CC1 ZINC000611813808 835849212 /nfs/dbraw/zinc/84/92/12/835849212.db2.gz OSEOALPHTMWJOF-OAHLLOKOSA-N 1 0 389.565 3.700 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC(C)=C[C@@H](C)C2)c1C#N ZINC000430277232 835894622 /nfs/dbraw/zinc/89/46/22/835894622.db2.gz MEBHASARAPSBFH-OAHLLOKOSA-N 1 0 380.492 3.845 20 30 GHEDRO C=CCOc1ccccc1CNc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000549681546 844101178 /nfs/dbraw/zinc/10/11/78/844101178.db2.gz NIMJYWQVSLPBIP-UHFFFAOYSA-N 1 0 379.504 3.689 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000179631738 835902668 /nfs/dbraw/zinc/90/26/68/835902668.db2.gz SRWYCCYNTJSYIC-ZDUSSCGKSA-N 1 0 387.867 3.827 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000255843622 835935215 /nfs/dbraw/zinc/93/52/15/835935215.db2.gz KEEAQKJBBJPMHZ-FQEVSTJZSA-N 1 0 385.895 3.887 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC(=O)Nc1ccc(C#N)cc1 ZINC000608780257 836110830 /nfs/dbraw/zinc/11/08/30/836110830.db2.gz RQPRATYNKLNOCU-UHFFFAOYSA-N 1 0 392.434 3.855 20 30 GHEDRO Cc1ccc2nc(C)c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2c1 ZINC000065930791 836254598 /nfs/dbraw/zinc/25/45/98/836254598.db2.gz RIGOJIWTKDUTEO-UHFFFAOYSA-N 1 0 386.499 3.927 20 30 GHEDRO C[C@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)[N@@H+]1CCc2sccc2C1 ZINC000610246108 836262697 /nfs/dbraw/zinc/26/26/97/836262697.db2.gz BMYBVJSTEVJBKM-GFCCVEGCSA-N 1 0 384.455 3.727 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000173910986 836334122 /nfs/dbraw/zinc/33/41/22/836334122.db2.gz MVKKOUFTBGZODI-FQEVSTJZSA-N 1 0 391.515 3.660 20 30 GHEDRO N#CC1(CC(=O)OC[C@]23CCC[C@H]2C[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000893786232 844159145 /nfs/dbraw/zinc/15/91/45/844159145.db2.gz XZOGPIXGPIYGJY-NZQKXSOJSA-N 1 0 382.504 3.542 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000612561975 836406525 /nfs/dbraw/zinc/40/65/25/836406525.db2.gz RGGWVPFRDSAFLN-INIZCTEOSA-N 1 0 393.491 3.940 20 30 GHEDRO COc1ccc(COCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180163304 836474721 /nfs/dbraw/zinc/47/47/21/836474721.db2.gz CCCLDCATGXYXRP-UHFFFAOYSA-N 1 0 390.487 3.664 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@@H]2C ZINC001209422855 836501594 /nfs/dbraw/zinc/50/15/94/836501594.db2.gz JKNIABJJVASQSV-HXUWFJFHSA-N 1 0 385.552 3.718 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2cccn2)c1 ZINC000179997776 836567993 /nfs/dbraw/zinc/56/79/93/836567993.db2.gz PQZWGGSBGIIGOM-JTSKRJEESA-N 1 0 385.471 3.590 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1OC ZINC000413904077 836718314 /nfs/dbraw/zinc/71/83/14/836718314.db2.gz SOKMWUPTIPBYPE-UHFFFAOYSA-N 1 0 388.439 3.592 20 30 GHEDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658929671 836795021 /nfs/dbraw/zinc/79/50/21/836795021.db2.gz KHFBXZGFDOGUBS-LBPRGKRZSA-N 1 0 386.311 3.848 20 30 GHEDRO COC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452030663 836807890 /nfs/dbraw/zinc/80/78/90/836807890.db2.gz OGCWEONRVANVTI-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001167189194 836846530 /nfs/dbraw/zinc/84/65/30/836846530.db2.gz RFUJWKUWKKWVIC-TYABSZSSSA-N 1 0 396.494 3.697 20 30 GHEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000782655223 836880823 /nfs/dbraw/zinc/88/08/23/836880823.db2.gz RYDCFCHFVQIMTK-UKRRQHHQSA-N 1 0 376.382 3.790 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180049959 836920039 /nfs/dbraw/zinc/92/00/39/836920039.db2.gz DAXXSIHOFUBBCS-QHCPKHFHSA-N 1 0 385.515 3.713 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)Oc2cccc(-n3ccnc3)c2)cc1C(F)(F)F ZINC000177661650 836971184 /nfs/dbraw/zinc/97/11/84/836971184.db2.gz SSNCUOZTUDUTFJ-UHFFFAOYSA-N 1 0 393.346 3.530 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000180293270 837024294 /nfs/dbraw/zinc/02/42/94/837024294.db2.gz ZRHJQYZYXCUMEE-WZONZLPQSA-N 1 0 385.515 3.711 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)C(=S)NC)cc1 ZINC000027301931 837041702 /nfs/dbraw/zinc/04/17/02/837041702.db2.gz ZQJWMCQKXHSZFT-UHFFFAOYSA-O 1 0 398.552 3.679 20 30 GHEDRO CCOc1ccc(C(=O)C(C(=S)NCCCSC)[n+]2ccccc2)cc1 ZINC000027479615 837053073 /nfs/dbraw/zinc/05/30/73/837053073.db2.gz BMOSNUNYSICOHC-UHFFFAOYSA-O 1 0 389.566 3.654 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)CSCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000134942030 837125584 /nfs/dbraw/zinc/12/55/84/837125584.db2.gz CHHGOJBFIVLKIN-UTKZUKDTSA-N 1 0 379.529 3.571 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc(SCC#N)c2)cc1 ZINC000176043117 837130190 /nfs/dbraw/zinc/13/01/90/837130190.db2.gz YHFFGRYPCVLUGE-UHFFFAOYSA-N 1 0 383.517 3.563 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472494521 837169771 /nfs/dbraw/zinc/16/97/71/837169771.db2.gz FFINJUBQAQMGRG-JOCHJYFZSA-N 1 0 380.536 3.601 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1N1CC[NH+](CCc2cccs2)CC1 ZINC000610274130 837332379 /nfs/dbraw/zinc/33/23/79/837332379.db2.gz RFYBHLCNTOKHRO-UHFFFAOYSA-N 1 0 384.455 3.811 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549332306 837973814 /nfs/dbraw/zinc/97/38/14/837973814.db2.gz VVMQTRXOWBOQGH-SFHVURJKSA-N 1 0 399.514 3.637 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C#N)c1C ZINC000118834346 837998446 /nfs/dbraw/zinc/99/84/46/837998446.db2.gz IUEQQQQLKHKGGA-IEBWSBKVSA-N 1 0 386.540 3.683 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610298242 838212126 /nfs/dbraw/zinc/21/21/26/838212126.db2.gz UCRQVGGNKTYKAE-GMAHTHKFSA-N 1 0 391.515 3.695 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000415906419 838261591 /nfs/dbraw/zinc/26/15/91/838261591.db2.gz KKDFCIKKPUWCPK-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000415915126 838263908 /nfs/dbraw/zinc/26/39/08/838263908.db2.gz YGPRTSVOLAVYOJ-UHFFFAOYSA-N 1 0 393.491 3.574 20 30 GHEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+](CCC)CC1 ZINC000584517725 838264317 /nfs/dbraw/zinc/26/43/17/838264317.db2.gz JDYMZSGSKJVTQK-SFTDATJTSA-N 1 0 395.551 3.631 20 30 GHEDRO N#CCSc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000378020033 838292047 /nfs/dbraw/zinc/29/20/47/838292047.db2.gz RSEIZPWOGBMSCZ-LJQANCHMSA-N 1 0 379.529 3.944 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)c2nc(C(F)(F)F)ccc2C#N)c1 ZINC000189629511 838331251 /nfs/dbraw/zinc/33/12/51/838331251.db2.gz QPFVPHYDLXLDOI-UHFFFAOYSA-N 1 0 378.398 3.549 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610320332 838421021 /nfs/dbraw/zinc/42/10/21/838421021.db2.gz ZKXJSVFCAMCSNA-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000416034379 838438092 /nfs/dbraw/zinc/43/80/92/838438092.db2.gz TXWKYENYGFEFSH-UGSOOPFHSA-N 1 0 390.409 3.865 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000613586212 838466035 /nfs/dbraw/zinc/46/60/35/838466035.db2.gz WCOGZSMTBZBFFR-HXUWFJFHSA-N 1 0 398.453 3.950 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000610336872 838543693 /nfs/dbraw/zinc/54/36/93/838543693.db2.gz TYMYSLKXGDRLJD-OAQYLSRUSA-N 1 0 386.536 3.554 20 30 GHEDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000610344768 838574431 /nfs/dbraw/zinc/57/44/31/838574431.db2.gz HSQFAJZZPZRAHX-DLBZAZTESA-N 1 0 395.503 3.663 20 30 GHEDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000610344772 838574513 /nfs/dbraw/zinc/57/45/13/838574513.db2.gz HSQFAJZZPZRAHX-IRXDYDNUSA-N 1 0 395.503 3.663 20 30 GHEDRO COC(=O)[C@H](C)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000414488141 838577794 /nfs/dbraw/zinc/57/77/94/838577794.db2.gz NYIBJXXHIIMMLW-QGZVFWFLSA-N 1 0 377.488 3.911 20 30 GHEDRO CC[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000610347705 838590404 /nfs/dbraw/zinc/59/04/04/838590404.db2.gz HVGZHUMFJKNQQF-VGOFRKELSA-N 1 0 376.504 3.755 20 30 GHEDRO N#C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000416140486 838613181 /nfs/dbraw/zinc/61/31/81/838613181.db2.gz ULHZXBMXITTZKF-LJQANCHMSA-N 1 0 398.304 3.578 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C[C@H]1C(F)(F)F ZINC000893194118 838791112 /nfs/dbraw/zinc/79/11/12/838791112.db2.gz CWSYPYHQDWFLLI-ARFHVFGLSA-N 1 0 384.398 3.567 20 30 GHEDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000414943174 839002034 /nfs/dbraw/zinc/00/20/34/839002034.db2.gz LQTDFENKDBHWPM-FOIQADDNSA-N 1 0 391.475 3.544 20 30 GHEDRO C=CCOc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)c1 ZINC000415016668 839064775 /nfs/dbraw/zinc/06/47/75/839064775.db2.gz QGMDACWJOLRYBZ-LEWJYISDSA-N 1 0 381.476 3.527 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000416399480 839147013 /nfs/dbraw/zinc/14/70/13/839147013.db2.gz OVNGEORUGBXMMT-VQTJNVASSA-N 1 0 378.476 3.665 20 30 GHEDRO CCOc1ccc2nc(NC(=O)C[NH2+][C@@H](C)c3ccc(C#N)cc3)sc2c1 ZINC000549171607 839148700 /nfs/dbraw/zinc/14/87/00/839148700.db2.gz HLQNHZQVECBCCD-ZDUSSCGKSA-N 1 0 380.473 3.856 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415091675 839199316 /nfs/dbraw/zinc/19/93/16/839199316.db2.gz ZOSCULRCWOLXLP-RHSMWYFYSA-N 1 0 380.448 3.608 20 30 GHEDRO COc1ccc([C@H](CNC(=O)NCc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000047793723 839226951 /nfs/dbraw/zinc/22/69/51/839226951.db2.gz MEDVJXFAWLVVAK-QFIPXVFZSA-N 1 0 392.503 3.593 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000415167605 839318613 /nfs/dbraw/zinc/31/86/13/839318613.db2.gz TZJDREUHWFYJFS-KXBFYZLASA-N 1 0 380.517 3.947 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(CC#N)cc1 ZINC000564900177 839357495 /nfs/dbraw/zinc/35/74/95/839357495.db2.gz ULACSHGNQBAJND-JOCHJYFZSA-N 1 0 390.531 3.853 20 30 GHEDRO COc1ccc(OC)c(CCCNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)c1 ZINC000134219826 839432913 /nfs/dbraw/zinc/43/29/13/839432913.db2.gz HSTNJYXUAOCOCE-UHFFFAOYSA-N 1 0 377.872 3.725 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000415241240 839448044 /nfs/dbraw/zinc/44/80/44/839448044.db2.gz RRQRXHBJLRTQJM-SPLOXXLWSA-N 1 0 382.439 3.938 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549257447 839636929 /nfs/dbraw/zinc/63/69/29/839636929.db2.gz XBVCVFTYURVTNB-FQEVSTJZSA-N 1 0 381.568 3.922 20 30 GHEDRO C=CCn1c([C@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000580484911 839649428 /nfs/dbraw/zinc/64/94/28/839649428.db2.gz FKZYUYLBSWUKID-GOSISDBHSA-N 1 0 378.524 3.562 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377537368 839685870 /nfs/dbraw/zinc/68/58/70/839685870.db2.gz JJMKXAOQVDFXJG-KCZVDYSFSA-N 1 0 394.519 3.558 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549273835 839748410 /nfs/dbraw/zinc/74/84/10/839748410.db2.gz IMHSMQRJHXAELG-UHFFFAOYSA-N 1 0 376.508 3.600 20 30 GHEDRO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4cc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000728299617 839757166 /nfs/dbraw/zinc/75/71/66/839757166.db2.gz TWVNRBSQGNVFDP-JOCHJYFZSA-N 1 0 398.466 3.551 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549278322 839771748 /nfs/dbraw/zinc/77/17/48/839771748.db2.gz UYVBYPPWMUOLNU-IBGZPJMESA-N 1 0 385.581 3.819 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCC[C@H]2COC(=O)N2CCCCC2)CCOCC1 ZINC000367608215 839888003 /nfs/dbraw/zinc/88/80/03/839888003.db2.gz QUIDGEMQAHZAKB-IBGZPJMESA-N 1 0 377.529 3.564 20 30 GHEDRO C[C@H](C#N)CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C1CC1 ZINC000580623508 839912820 /nfs/dbraw/zinc/91/28/20/839912820.db2.gz GSHWTUNKEIJKPX-CQSZACIVSA-N 1 0 390.915 3.969 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000377668116 839922803 /nfs/dbraw/zinc/92/28/03/839922803.db2.gz KOIMOAMKYTUDCR-SJLPKXTDSA-N 1 0 388.924 3.637 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433488198 844488368 /nfs/dbraw/zinc/48/83/68/844488368.db2.gz UAPRHWGQHQDCOC-NFBKMPQASA-N 1 0 375.516 3.882 20 30 GHEDRO C=CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000432892482 844504213 /nfs/dbraw/zinc/50/42/13/844504213.db2.gz PEUUOQRPODLUAA-UHFFFAOYSA-N 1 0 378.520 3.945 20 30 GHEDRO CN1CCC[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c2ccccc21 ZINC000566665301 840141048 /nfs/dbraw/zinc/14/10/48/840141048.db2.gz MQPYOGLUZSGNEF-GOSISDBHSA-N 1 0 394.544 3.998 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000512557447 844518307 /nfs/dbraw/zinc/51/83/07/844518307.db2.gz REWJSVIGDFNPTI-UHFFFAOYSA-N 1 0 390.483 3.948 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000500385876 840321957 /nfs/dbraw/zinc/32/19/57/840321957.db2.gz APLRUKPPLUPPBD-QFIPXVFZSA-N 1 0 389.499 3.817 20 30 GHEDRO C[C@@H]([NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000511593956 840328484 /nfs/dbraw/zinc/32/84/84/840328484.db2.gz MZKIDKLBPTXBQJ-WBMJQRKESA-N 1 0 381.398 3.577 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C#N)cc1C ZINC000119349084 840342241 /nfs/dbraw/zinc/34/22/41/840342241.db2.gz SGZCWAWBPDGLJA-UHFFFAOYSA-N 1 0 375.476 3.811 20 30 GHEDRO N#CCCCCS(=O)(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000119345552 840362797 /nfs/dbraw/zinc/36/27/97/840362797.db2.gz FSFCKAQLLRVXRC-UHFFFAOYSA-N 1 0 389.565 3.531 20 30 GHEDRO CC(=O)Nc1ccc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160696821 840456650 /nfs/dbraw/zinc/45/66/50/840456650.db2.gz BMAWWTAZDBLGBM-UHFFFAOYSA-N 1 0 380.370 3.513 20 30 GHEDRO [NH2+]=C(NCCCSc1nccs1)Nc1ccccc1OC(F)(F)F ZINC000160733535 840611782 /nfs/dbraw/zinc/61/17/82/840611782.db2.gz IQAQSJHTQJYZRC-UHFFFAOYSA-N 1 0 376.429 3.951 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000573558117 844593353 /nfs/dbraw/zinc/59/33/53/844593353.db2.gz PCIUJLLQNRWIGR-PKOBYXMFSA-N 1 0 388.920 3.911 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000511859543 841011206 /nfs/dbraw/zinc/01/12/06/841011206.db2.gz MKSURCFZFDKECD-ZIFCJYIRSA-N 1 0 379.426 3.740 20 30 GHEDRO COC(=O)C[C@@](C)([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000513144791 844610017 /nfs/dbraw/zinc/61/00/17/844610017.db2.gz NQKYYFBSLAQWGM-LJQANCHMSA-N 1 0 387.277 3.889 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(C(C)(C)C)cc1 ZINC000027055347 841210213 /nfs/dbraw/zinc/21/02/13/841210213.db2.gz RPMYJRCLUVCFGM-UHFFFAOYSA-O 1 0 383.537 3.755 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417941692 841301511 /nfs/dbraw/zinc/30/15/11/841301511.db2.gz SEMCDMGRYRWYPH-KURKYZTESA-N 1 0 399.457 3.860 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)Nc1ccccc1 ZINC000684254935 841367565 /nfs/dbraw/zinc/36/75/65/841367565.db2.gz ASEDWBUEAKPTBR-QGZVFWFLSA-N 1 0 399.564 3.612 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccc(C)cc2)c(C)[nH]1 ZINC000027305507 841378108 /nfs/dbraw/zinc/37/81/08/841378108.db2.gz GWUYYHXNEOIUJF-UHFFFAOYSA-O 1 0 392.548 3.999 20 30 GHEDRO CCCNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1cccc(CO)c1 ZINC000027316344 841380584 /nfs/dbraw/zinc/38/05/84/841380584.db2.gz DKAAHYBDPVLXEE-UHFFFAOYSA-O 1 0 399.561 3.928 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1cccc(C)c1 ZINC000027323814 841381765 /nfs/dbraw/zinc/38/17/65/841381765.db2.gz OJFWEXALGLALJL-UHFFFAOYSA-O 1 0 384.525 3.569 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC001167461375 841381955 /nfs/dbraw/zinc/38/19/55/841381955.db2.gz GJNUODRAUHFJEE-QFIPXVFZSA-N 1 0 394.515 3.978 20 30 GHEDRO Cc1noc([C@@H]2CCCCN2C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000329249373 861201086 /nfs/dbraw/zinc/20/10/86/861201086.db2.gz SZEXWDLKJILRAN-INMHGKMJSA-N 1 0 377.533 3.576 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000156222406 841519019 /nfs/dbraw/zinc/51/90/19/841519019.db2.gz YHGZZBBFEHGACQ-KKSFZXQISA-N 1 0 389.565 3.940 20 30 GHEDRO COc1cc(OC)c(OC)cc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000177715084 861212793 /nfs/dbraw/zinc/21/27/93/861212793.db2.gz NTSXTNZDBHPYKB-UHFFFAOYSA-N 1 0 379.378 3.873 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000045346695 841659164 /nfs/dbraw/zinc/65/91/64/841659164.db2.gz HQQXAXTYEXUBIL-JOCHJYFZSA-N 1 0 376.504 3.783 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc(OC)c1O ZINC000600197570 861238669 /nfs/dbraw/zinc/23/86/69/861238669.db2.gz RWLCORMTOGGUOR-CRAIPNDOSA-N 1 0 375.509 3.929 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132648 841848298 /nfs/dbraw/zinc/84/82/98/841848298.db2.gz JDRYRPNHFYJIJL-NFBKMPQASA-N 1 0 377.488 3.987 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133717 841853387 /nfs/dbraw/zinc/85/33/87/841853387.db2.gz IHZVCTKVVSHQAA-NZQKXSOJSA-N 1 0 377.488 3.987 20 30 GHEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000276411837 841858691 /nfs/dbraw/zinc/85/86/91/841858691.db2.gz LSOQTCFRWXCGRS-MRXNPFEDSA-N 1 0 381.476 3.782 20 30 GHEDRO N#Cc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000045941376 841874909 /nfs/dbraw/zinc/87/49/09/841874909.db2.gz XUQVWKCWUOZQIP-UHFFFAOYSA-N 1 0 376.460 3.625 20 30 GHEDRO COCCOC1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000093339681 841936634 /nfs/dbraw/zinc/93/66/34/841936634.db2.gz HDVJMSCKNYOKDP-UHFFFAOYSA-N 1 0 380.488 3.765 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000329290288 861254779 /nfs/dbraw/zinc/25/47/79/861254779.db2.gz AKCGTUWUFMYEMJ-FPOVZHCZSA-N 1 0 381.524 3.526 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000477302363 841973835 /nfs/dbraw/zinc/97/38/35/841973835.db2.gz MMTZVXJEIMHJNK-OAQYLSRUSA-N 1 0 377.488 3.612 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC000161009403 842086956 /nfs/dbraw/zinc/08/69/56/842086956.db2.gz DFDXCVCFQKRVCD-FQEVSTJZSA-N 1 0 392.459 3.730 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000541626274 842153415 /nfs/dbraw/zinc/15/34/15/842153415.db2.gz WTCUDUKYVDGVIO-LJQANCHMSA-N 1 0 383.495 3.985 20 30 GHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000477477186 842184275 /nfs/dbraw/zinc/18/42/75/842184275.db2.gz CRUQAAQVMNRWAJ-KHQYNDFOSA-N 1 0 398.551 3.810 20 30 GHEDRO C(#CC[NH+]1CCC([C@@H]2CCCCO2)CC1)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661864760 842248050 /nfs/dbraw/zinc/24/80/50/842248050.db2.gz CJUPHAQCIFIMBA-ZEQRLZLVSA-N 1 0 388.596 3.552 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000106763272 842256854 /nfs/dbraw/zinc/25/68/54/842256854.db2.gz CAKCXRWSACOXCN-UHFFFAOYSA-N 1 0 381.451 3.951 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000581840291 842268027 /nfs/dbraw/zinc/26/80/27/842268027.db2.gz CJYFLMOKOQCLGZ-DLBZAZTESA-N 1 0 379.426 3.640 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1OC ZINC001125535853 842308277 /nfs/dbraw/zinc/30/82/77/842308277.db2.gz KAXIGMKECPZQQV-BENRWUELSA-N 1 0 398.547 3.998 20 30 GHEDRO Cn1ccnc1Sc1ncc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1Cl ZINC000329336186 861298533 /nfs/dbraw/zinc/29/85/33/861298533.db2.gz LPIZDSOUXZAYSI-UHFFFAOYSA-N 1 0 393.944 3.656 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC4(CCCC4=O)CC3)sc2C1 ZINC000661956889 842397908 /nfs/dbraw/zinc/39/79/08/842397908.db2.gz OONUHHOMUKWYGZ-HNNXBMFYSA-N 1 0 399.560 3.908 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC3([C@@H](O)c4ccccc4)CC3)CC2)cc1 ZINC000182063006 842514802 /nfs/dbraw/zinc/51/48/02/842514802.db2.gz KVIFIFQCRCGYFF-QHCPKHFHSA-N 1 0 375.516 3.626 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000548308546 842541873 /nfs/dbraw/zinc/54/18/73/842541873.db2.gz BFZCKILAVAYUKD-FQEVSTJZSA-N 1 0 383.879 3.787 20 30 GHEDRO O[C@@H]([C@@H]1CCN(Cc2cccc(F)c2OCC(F)(F)F)C1)C(F)(F)F ZINC000628301454 842571744 /nfs/dbraw/zinc/57/17/44/842571744.db2.gz ULSOFSZYAZWQBP-MFKMUULPSA-N 1 0 375.284 3.512 20 30 GHEDRO C=CCn1c2nnc(SC[C@@H]3CCCC[N@H+]3C(C)C)n2c2ccccc2c1=O ZINC000549627842 842597061 /nfs/dbraw/zinc/59/70/61/842597061.db2.gz CDFWIUAIJKBDDX-INIZCTEOSA-N 1 0 397.548 3.585 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)CC1 ZINC000329371527 861339746 /nfs/dbraw/zinc/33/97/46/861339746.db2.gz MGXBYHSHOBXTKR-GOSISDBHSA-N 1 0 389.544 3.693 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000610571510 842818338 /nfs/dbraw/zinc/81/83/38/842818338.db2.gz FWGYYZNUSXNOIX-WIYYLYMNSA-N 1 0 386.499 3.948 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000610573326 842842050 /nfs/dbraw/zinc/84/20/50/842842050.db2.gz KBJZVCMYWLUHHD-SPEDKVCISA-N 1 0 376.504 3.972 20 30 GHEDRO C[C@H]([NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C)C(=O)Nc1ccccc1C#N ZINC000471861289 842922830 /nfs/dbraw/zinc/92/28/30/842922830.db2.gz NNSBOLTZLVMQDK-NDXORKPFSA-N 1 0 377.488 3.859 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1 ZINC000329386426 861361542 /nfs/dbraw/zinc/36/15/42/861361542.db2.gz PRUSXKIUNIHTHD-UHFFFAOYSA-N 1 0 393.553 3.714 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512193741 842965311 /nfs/dbraw/zinc/96/53/11/842965311.db2.gz FUTYSQDSAACHMW-UZLBHIALSA-N 1 0 397.567 3.589 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603905099 861365305 /nfs/dbraw/zinc/36/53/05/861365305.db2.gz BIIFMWJJNVAYCD-RYQLBKOJSA-N 1 0 394.906 3.607 20 30 GHEDRO O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329391720 861367740 /nfs/dbraw/zinc/36/77/40/861367740.db2.gz VLVCFYGMQIXFFD-MAUKXSAKSA-N 1 0 377.448 3.652 20 30 GHEDRO C[C@H]([NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000471864228 843010238 /nfs/dbraw/zinc/01/02/38/843010238.db2.gz YREMBTYNSZCPJY-YSIASYRMSA-N 1 0 383.536 3.691 20 30 GHEDRO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000610581454 843063250 /nfs/dbraw/zinc/06/32/50/843063250.db2.gz DKBUVGKSCZRSHX-XUVXKRRUSA-N 1 0 395.528 3.825 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)CCOCC1 ZINC000510628627 843088752 /nfs/dbraw/zinc/08/87/52/843088752.db2.gz IGZQZGLSYMGQLT-JOCHJYFZSA-N 1 0 397.563 3.690 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)CCOCC1 ZINC000510628629 843088828 /nfs/dbraw/zinc/08/88/28/843088828.db2.gz IGZQZGLSYMGQLT-QFIPXVFZSA-N 1 0 397.563 3.690 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)[C@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000328949949 843097051 /nfs/dbraw/zinc/09/70/51/843097051.db2.gz LCDHCLKADCRKCV-QGZVFWFLSA-N 1 0 387.553 3.739 20 30 GHEDRO C=CCOc1c(Br)cc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000062427217 843108622 /nfs/dbraw/zinc/10/86/22/843108622.db2.gz SNSNMRFSFRPXTM-OAHLLOKOSA-N 1 0 397.357 3.842 20 30 GHEDRO CC1(C)CCC[C@](CO)([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000599594744 861380842 /nfs/dbraw/zinc/38/08/42/861380842.db2.gz IRVFCKHUHAQCMO-FQEVSTJZSA-N 1 0 377.916 3.508 20 30 GHEDRO Cc1cccc(-c2n[nH]cc2CN2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000512235779 843176062 /nfs/dbraw/zinc/17/60/62/843176062.db2.gz DKWZDIAEPXEHMR-UHFFFAOYSA-N 1 0 375.451 3.718 20 30 GHEDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662412095 843195195 /nfs/dbraw/zinc/19/51/95/843195195.db2.gz IVPDCXJJQDOJPI-JTQLQIEISA-N 1 0 386.311 3.705 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000432585657 843227580 /nfs/dbraw/zinc/22/75/80/843227580.db2.gz UDENIBWKHQKBJC-UHFFFAOYSA-N 1 0 396.922 3.626 20 30 GHEDRO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000279719989 843266808 /nfs/dbraw/zinc/26/68/08/843266808.db2.gz LMGZAMLNVDDNGX-QAPCUYQASA-N 1 0 378.476 3.596 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC000481442586 861397436 /nfs/dbraw/zinc/39/74/36/861397436.db2.gz XBPRUBFCSALKEM-KRWDZBQOSA-N 1 0 379.504 3.961 20 30 GHEDRO CC[NH+]1CCC(n2nccc2NC=C2C(=O)CC3(CCCCC3)CC2=O)CC1 ZINC000730999373 861399047 /nfs/dbraw/zinc/39/90/47/861399047.db2.gz HJHOWQQKMJBIOY-UHFFFAOYSA-N 1 0 384.524 3.718 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549661911 843289382 /nfs/dbraw/zinc/28/93/82/843289382.db2.gz JITFCXXGRALZPD-UHFFFAOYSA-N 1 0 390.535 3.705 20 30 GHEDRO Cc1noc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000329427297 861404760 /nfs/dbraw/zinc/40/47/60/861404760.db2.gz HHJSDBLHWHIYLJ-KRWDZBQOSA-N 1 0 375.517 3.618 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000510769295 843451323 /nfs/dbraw/zinc/45/13/23/843451323.db2.gz VMYXGKLLJLOQSO-KBPBESRZSA-N 1 0 398.429 3.741 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000418682958 843530007 /nfs/dbraw/zinc/53/00/07/843530007.db2.gz WQTGETYRGXPBKU-QFIPXVFZSA-N 1 0 392.503 3.591 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc(OC)c1O ZINC000092004553 843542941 /nfs/dbraw/zinc/54/29/41/843542941.db2.gz DFSILSVHIWHOBE-LJQANCHMSA-N 1 0 395.503 3.683 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC000247475623 843561328 /nfs/dbraw/zinc/56/13/28/843561328.db2.gz SGTVWLOBBCBHIU-FDDCHVKYSA-N 1 0 391.515 3.940 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC000247475631 843561519 /nfs/dbraw/zinc/56/15/19/843561519.db2.gz SGTVWLOBBCBHIU-MBSDFSHPSA-N 1 0 391.515 3.940 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC000155649122 861441546 /nfs/dbraw/zinc/44/15/46/861441546.db2.gz QREOFBFFPCJPJK-UGKGYDQZSA-N 1 0 375.472 3.907 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000512419592 843749137 /nfs/dbraw/zinc/74/91/37/843749137.db2.gz AHWYVKHOBFODHJ-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO CC(C)Cc1cccc([C@H](C)C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000329456098 861458386 /nfs/dbraw/zinc/45/83/86/861458386.db2.gz PZBNBQSZDICRIN-UWJYYQICSA-N 1 0 385.552 3.640 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC000669335322 843848371 /nfs/dbraw/zinc/84/83/71/843848371.db2.gz SEAGLLMBPGEIJO-QRVBRYPASA-N 1 0 399.564 3.793 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC)CC(CC)CC ZINC000669335791 843871278 /nfs/dbraw/zinc/87/12/78/843871278.db2.gz XROXKDAXFDLGBQ-MOPGFXCFSA-N 1 0 375.561 3.652 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1 ZINC000731113676 861474491 /nfs/dbraw/zinc/47/44/91/861474491.db2.gz KPLFQEUUGSCWDD-UHFFFAOYSA-N 1 0 379.504 3.727 20 30 GHEDRO CSc1cc2c(cc1NC(=O)N1CCC[N@@H+](C3CCCC3)CC1)OCCO2 ZINC000329465477 861480108 /nfs/dbraw/zinc/48/01/08/861480108.db2.gz VDRSOVOJNFSPGZ-UHFFFAOYSA-N 1 0 391.537 3.676 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000237598454 843958177 /nfs/dbraw/zinc/95/81/77/843958177.db2.gz LXVRUZWEZNPQQI-GOSISDBHSA-N 1 0 377.488 3.893 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000731115062 861475713 /nfs/dbraw/zinc/47/57/13/861475713.db2.gz VMZDBGGYWJPZKJ-HXUWFJFHSA-N 1 0 377.488 3.732 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccc(F)cc2Cl)c(-c2ccncc2)n1 ZINC000433303631 843990572 /nfs/dbraw/zinc/99/05/72/843990572.db2.gz ISYFURLTTOJGGY-UHFFFAOYSA-N 1 0 383.858 3.984 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000572708889 843992725 /nfs/dbraw/zinc/99/27/25/843992725.db2.gz QXELTOCKWHOENJ-LAUBAEHRSA-N 1 0 377.488 3.625 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)cc1 ZINC000610860901 844708996 /nfs/dbraw/zinc/70/89/96/844708996.db2.gz AMFSFAFNPUUELW-DHIUTWEWSA-N 1 0 378.516 3.980 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)cc1F ZINC000512621083 844763911 /nfs/dbraw/zinc/76/39/11/844763911.db2.gz UXWXRUFRPCYCPT-ZACQAIPSSA-N 1 0 395.478 3.798 20 30 GHEDRO N#Cc1cccc(-c2noc([C@@H](c3cc4ccccc4o3)N3CCC[NH2+]CC3)n2)c1 ZINC001211835326 844776550 /nfs/dbraw/zinc/77/65/50/844776550.db2.gz DWBOVCPGKTXOLN-OAQYLSRUSA-N 1 0 399.454 3.739 20 30 GHEDRO COc1ccc(CN2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)cc1F ZINC000614159679 844790588 /nfs/dbraw/zinc/79/05/88/844790588.db2.gz ONICQMGPKNGBCO-UHFFFAOYSA-N 1 0 381.495 3.953 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001141907983 861504364 /nfs/dbraw/zinc/50/43/64/861504364.db2.gz VVRDDCSTGKLEHL-ZWKOTPCHSA-N 1 0 380.305 3.719 20 30 GHEDRO C=C(CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000512670661 844988921 /nfs/dbraw/zinc/98/89/21/844988921.db2.gz ATZPFPXNHSCLAG-QFIPXVFZSA-N 1 0 378.520 3.791 20 30 GHEDRO COc1cc(OC)c(C2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)c(OC)c1 ZINC000610992065 845065480 /nfs/dbraw/zinc/06/54/80/845065480.db2.gz VGXBOEIMYNJRLN-UHFFFAOYSA-N 1 0 396.487 3.972 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000673733198 861529339 /nfs/dbraw/zinc/52/93/39/861529339.db2.gz BCSAKIMPKLLOPJ-GOSISDBHSA-N 1 0 396.516 3.531 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000673734385 861531597 /nfs/dbraw/zinc/53/15/97/861531597.db2.gz PXFLXIZOFOAZLV-UHFFFAOYSA-N 1 0 376.460 3.751 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000458354836 845153624 /nfs/dbraw/zinc/15/36/24/845153624.db2.gz BSOVNEZVJHCRND-UHFFFAOYSA-N 1 0 384.568 3.912 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1O ZINC000178888047 845198492 /nfs/dbraw/zinc/19/84/92/845198492.db2.gz SJNOZZGYQJDHAV-UHFFFAOYSA-N 1 0 390.524 3.961 20 30 GHEDRO COc1cccc([C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[NH+]2CCCC2)c1 ZINC000433119593 845359161 /nfs/dbraw/zinc/35/91/61/845359161.db2.gz GRAQHDWFGQUTJZ-GMAHTHKFSA-N 1 0 391.515 3.721 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc2ccccc2o1 ZINC000182640086 845516928 /nfs/dbraw/zinc/51/69/28/845516928.db2.gz QKKMMYCSNNOCOU-HNNXBMFYSA-N 1 0 385.427 3.779 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1C ZINC000600313118 861581004 /nfs/dbraw/zinc/58/10/04/861581004.db2.gz HUZRYXGDBFSVBW-LJQANCHMSA-N 1 0 393.535 3.542 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)N2CCc3c(CC#N)cccc3C2)cc1 ZINC000599747727 861602612 /nfs/dbraw/zinc/60/26/12/861602612.db2.gz SPABJUCGQOYPFP-UHFFFAOYSA-N 1 0 392.503 3.673 20 30 GHEDRO CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000121738390 845891974 /nfs/dbraw/zinc/89/19/74/845891974.db2.gz RZCZNWUNBCIJQF-JOCHJYFZSA-N 1 0 379.479 3.925 20 30 GHEDRO C[C@H](Cc1cccnc1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000934236686 846048189 /nfs/dbraw/zinc/04/81/89/846048189.db2.gz OFWKZHIIISPZRS-LSDHHAIUSA-N 1 0 382.533 3.689 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1C ZINC000502580693 846225910 /nfs/dbraw/zinc/22/59/10/846225910.db2.gz ITZBBAJEBSBMOR-SJLPKXTDSA-N 1 0 379.451 3.690 20 30 GHEDRO C[C@]1(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCO[C@H]1C1CC1 ZINC000329562926 861669731 /nfs/dbraw/zinc/66/97/31/861669731.db2.gz NJBMLQQHTHMMPC-FPOVZHCZSA-N 1 0 389.565 3.561 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000421602512 846379149 /nfs/dbraw/zinc/37/91/49/846379149.db2.gz SFFQOEDYIOOVAZ-GOSISDBHSA-N 1 0 393.434 3.691 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000582115366 846401736 /nfs/dbraw/zinc/40/17/36/846401736.db2.gz FVLFHVFLMVDYRF-UHFFFAOYSA-N 1 0 382.533 3.995 20 30 GHEDRO COCCCOc1cccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000237249203 846411108 /nfs/dbraw/zinc/41/11/08/846411108.db2.gz IVYITXWBECZHOO-FQEVSTJZSA-N 1 0 397.494 3.871 20 30 GHEDRO C=CCN1C(=O)N(CCCCC[NH+]2CCCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431372901 846600170 /nfs/dbraw/zinc/60/01/70/846600170.db2.gz HWWYRLNCZAYWLQ-OAQYLSRUSA-N 1 0 383.536 3.704 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC000051502353 846609496 /nfs/dbraw/zinc/60/94/96/846609496.db2.gz GODGMXQCIHDEGL-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000582209233 846635955 /nfs/dbraw/zinc/63/59/55/846635955.db2.gz GBNGZWWOOVTTHB-UHFFFAOYSA-N 1 0 395.551 3.806 20 30 GHEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000582210494 846638785 /nfs/dbraw/zinc/63/87/85/846638785.db2.gz SQSAPUCOQDUXQB-JOCHJYFZSA-N 1 0 391.515 3.911 20 30 GHEDRO Cn1nccc1-c1ccccc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000552009550 846639941 /nfs/dbraw/zinc/63/99/41/846639941.db2.gz KWIJHCXMBVIKEW-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)CC1 ZINC000501108032 846648046 /nfs/dbraw/zinc/64/80/46/846648046.db2.gz OWHVGAAVHLTZQC-UHFFFAOYSA-N 1 0 396.507 3.636 20 30 GHEDRO COc1cc(C)c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000237280197 846650353 /nfs/dbraw/zinc/65/03/53/846650353.db2.gz RLIZOOBZTIFLLC-SFHVURJKSA-N 1 0 383.467 3.782 20 30 GHEDRO O=C(C[NH2+]C1(c2cccc(F)c2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000179694970 861712272 /nfs/dbraw/zinc/71/22/72/861712272.db2.gz BVHOZSNIWRXSBH-UHFFFAOYSA-N 1 0 390.380 3.591 20 30 GHEDRO C=CCc1cc(CNc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)cc(OC)c1O ZINC000419763130 846784935 /nfs/dbraw/zinc/78/49/35/846784935.db2.gz NDNUGOMIVOHVFR-AWEZNQCLSA-N 1 0 381.476 3.953 20 30 GHEDRO COc1cc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(F)cc1C#N ZINC000599818619 861724513 /nfs/dbraw/zinc/72/45/13/861724513.db2.gz XGQQZUMWNADUGS-UHFFFAOYSA-N 1 0 384.455 3.868 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cc(OC)c(C#N)cc2F)cc1 ZINC000599819967 861728103 /nfs/dbraw/zinc/72/81/03/861728103.db2.gz OJKJRBUHSUOMOS-UHFFFAOYSA-N 1 0 384.455 3.869 20 30 GHEDRO COc1cc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(F)cc1C#N ZINC000599819811 861728609 /nfs/dbraw/zinc/72/86/09/861728609.db2.gz RAVOYMUWQKNNOK-INIZCTEOSA-N 1 0 396.466 3.834 20 30 GHEDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)c(C(F)(F)F)c1 ZINC000894246571 846901586 /nfs/dbraw/zinc/90/15/86/846901586.db2.gz LMLQUNRHGPFJMX-UHFFFAOYSA-N 1 0 378.350 3.684 20 30 GHEDRO CC(C)(C)C[NH+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)(C)C ZINC000271758657 846911994 /nfs/dbraw/zinc/91/19/94/846911994.db2.gz OKURHIOKQWECSP-MRXNPFEDSA-N 1 0 382.508 3.906 20 30 GHEDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC2(C1)Oc1ccccc1O2 ZINC000329599794 861735346 /nfs/dbraw/zinc/73/53/46/861735346.db2.gz JWULWKNCRCBGMR-UHFFFAOYSA-N 1 0 393.487 3.570 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC000501475718 846954618 /nfs/dbraw/zinc/95/46/18/846954618.db2.gz GXUUKARWYCZIGS-ZIAGYGMSSA-N 1 0 398.429 3.884 20 30 GHEDRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000272006129 846968767 /nfs/dbraw/zinc/96/87/67/846968767.db2.gz LGLSGXPLBKEGEX-UHFFFAOYSA-N 1 0 382.529 3.974 20 30 GHEDRO CCCn1nccc1C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000501551105 847013097 /nfs/dbraw/zinc/01/30/97/847013097.db2.gz MSEUMIFEAXTCGJ-LJQANCHMSA-N 1 0 393.535 3.808 20 30 GHEDRO C[N@H+](CCCNC(=O)NCCSCc1ccccc1C#N)C1CCCCC1 ZINC000501580686 847037604 /nfs/dbraw/zinc/03/76/04/847037604.db2.gz PPWNWEXDNKEOED-UHFFFAOYSA-N 1 0 388.581 3.745 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1OC ZINC000272601349 847122865 /nfs/dbraw/zinc/12/28/65/847122865.db2.gz XNBBTUGSXJUGRH-UHFFFAOYSA-N 1 0 388.512 3.573 20 30 GHEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1cc(C#N)ccn1)Cc1ccccc1 ZINC000501766286 847161975 /nfs/dbraw/zinc/16/19/75/847161975.db2.gz NIWYNOXWNWFRDF-UHFFFAOYSA-N 1 0 384.483 3.728 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CSc1ccc(C#N)cc1 ZINC000131855758 861769038 /nfs/dbraw/zinc/76/90/38/861769038.db2.gz KCAOFRHDKWVVAZ-GOSISDBHSA-N 1 0 379.529 3.773 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000604096539 861774607 /nfs/dbraw/zinc/77/46/07/861774607.db2.gz VZPRNBCZBCNJAQ-DYESRHJHSA-N 1 0 392.503 3.692 20 30 GHEDRO C[C@H]1C[C@H]1c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000604096540 861774653 /nfs/dbraw/zinc/77/46/53/861774653.db2.gz VZPRNBCZBCNJAQ-LAUBAEHRSA-N 1 0 392.503 3.692 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(-c2ccncc2)n1 ZINC000582464372 847317470 /nfs/dbraw/zinc/31/74/70/847317470.db2.gz WJYYHKTXAJORTA-XMMPIXPASA-N 1 0 399.498 3.880 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(c3cc(CC)ncn3)C2)ccc1OC ZINC000237120498 847376786 /nfs/dbraw/zinc/37/67/86/847376786.db2.gz LMIUSPZOXXKSCN-FQEVSTJZSA-N 1 0 396.535 3.761 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000599846146 861786900 /nfs/dbraw/zinc/78/69/00/861786900.db2.gz GNYDTNSKVWQGTP-VXNXHJTFSA-N 1 0 385.511 3.820 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000127887175 847629038 /nfs/dbraw/zinc/62/90/38/847629038.db2.gz JHPRPKQCFGPZIC-ZWKOTPCHSA-N 1 0 397.544 3.513 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502274810 847679568 /nfs/dbraw/zinc/67/95/68/847679568.db2.gz HRCKDHKSHGAFSA-RTBURBONSA-N 1 0 380.536 3.725 20 30 GHEDRO Cn1nc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1C1CC1 ZINC000329627590 861818492 /nfs/dbraw/zinc/81/84/92/861818492.db2.gz UIHOGZNMLWPJLC-GOSISDBHSA-N 1 0 380.492 3.590 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000502322954 847735230 /nfs/dbraw/zinc/73/52/30/847735230.db2.gz ZRVSFVBKDVMRLB-JOCHJYFZSA-N 1 0 392.478 3.799 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000611646135 847772333 /nfs/dbraw/zinc/77/23/33/847772333.db2.gz KOXKSAFGHIOASI-HXUWFJFHSA-N 1 0 397.519 3.704 20 30 GHEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCCCC(C)(C)C#N)C(C)C)cc1 ZINC000277855806 848234009 /nfs/dbraw/zinc/23/40/09/848234009.db2.gz XVYFJLMSERNCEF-FQEVSTJZSA-N 1 0 389.540 3.815 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)[NH+]2CCCC2)cc1 ZINC000069821855 848440027 /nfs/dbraw/zinc/44/00/27/848440027.db2.gz VTSGNPKXNREABJ-JOCHJYFZSA-N 1 0 392.503 3.534 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000604200297 861939080 /nfs/dbraw/zinc/93/90/80/861939080.db2.gz HEKQEBZTMKXKBK-AUSIDOKSSA-N 1 0 391.515 3.915 20 30 GHEDRO COC1CC[NH+](C2(CNc3cccc(-n4cccn4)c3C#N)CCCC2)CC1 ZINC000582976461 848802241 /nfs/dbraw/zinc/80/22/41/848802241.db2.gz XCZZEQGJBGXIAN-UHFFFAOYSA-N 1 0 379.508 3.579 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(Br)c(O)c1)C(C)C ZINC000481661853 861983717 /nfs/dbraw/zinc/98/37/17/861983717.db2.gz WWTFTQXYNPPLPD-INIZCTEOSA-N 1 0 381.314 3.583 20 30 GHEDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2)ncn1 ZINC000481680505 862000418 /nfs/dbraw/zinc/00/04/18/862000418.db2.gz ZFKSXHPVRRJAAE-IFMALSPDSA-N 1 0 375.520 3.937 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000329678634 862009888 /nfs/dbraw/zinc/00/98/88/862009888.db2.gz XCSWGMQUMWBAAK-CBQOVEMMSA-N 1 0 395.551 3.772 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000248201703 849491451 /nfs/dbraw/zinc/49/14/51/849491451.db2.gz YXQOZSYIRLVRKD-GHTZIAJQSA-N 1 0 395.453 3.963 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000248201705 849491617 /nfs/dbraw/zinc/49/16/17/849491617.db2.gz YXQOZSYIRLVRKD-WIYYLYMNSA-N 1 0 395.453 3.963 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc2c1OCC[C@@H]2OC)C(C)C ZINC000448050310 849583550 /nfs/dbraw/zinc/58/35/50/849583550.db2.gz TZWTYPOAEWBZQE-UXHICEINSA-N 1 0 387.524 3.977 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2C#N)C[C@H](C)O1 ZINC000052314552 849740997 /nfs/dbraw/zinc/74/09/97/849740997.db2.gz PWFVLIXROXCXLX-IYBDPMFKSA-N 1 0 380.448 3.688 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C2)C1 ZINC000505509588 849759700 /nfs/dbraw/zinc/75/97/00/849759700.db2.gz GMBQGWJTQYQALY-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO CCc1cc(OC)ccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000503911470 849771482 /nfs/dbraw/zinc/77/14/82/849771482.db2.gz OVTUASTTWLLCIZ-UHFFFAOYSA-N 1 0 377.488 3.980 20 30 GHEDRO COc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1OCCCC#N ZINC000282462078 862054797 /nfs/dbraw/zinc/05/47/97/862054797.db2.gz UAHLWBLFHUDJGN-QHCPKHFHSA-N 1 0 380.488 3.691 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccsc1 ZINC000505527094 849793274 /nfs/dbraw/zinc/79/32/74/849793274.db2.gz RONKONRXSNFBIC-IBGZPJMESA-N 1 0 385.508 3.990 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000434868391 849855321 /nfs/dbraw/zinc/85/53/21/849855321.db2.gz LHSQTUASRQDKBB-WMLDXEAASA-N 1 0 399.516 3.873 20 30 GHEDRO N#Cc1cccc(OCC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000732085211 862072175 /nfs/dbraw/zinc/07/21/75/862072175.db2.gz LGOFLXQVCIDHSS-UHFFFAOYSA-N 1 0 397.906 3.715 20 30 GHEDRO C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000505585450 849953808 /nfs/dbraw/zinc/95/38/08/849953808.db2.gz NMFTUVPSOGMERX-INIZCTEOSA-N 1 0 379.479 3.538 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC000435045581 850018659 /nfs/dbraw/zinc/01/86/59/850018659.db2.gz YZWUWRQRNOPCGQ-UHFFFAOYSA-N 1 0 377.488 3.949 20 30 GHEDRO COc1ccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)cc1 ZINC000435049234 850022415 /nfs/dbraw/zinc/02/24/15/850022415.db2.gz QDEMSFLUPQAYLA-QFIPXVFZSA-N 1 0 389.499 3.552 20 30 GHEDRO C[NH+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CC[C@]2(CCOC2)C1 ZINC000261995368 850076462 /nfs/dbraw/zinc/07/64/62/850076462.db2.gz SGEWINVYLNVCMM-NRFANRHFSA-N 1 0 396.516 3.744 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OC ZINC000518792022 850136735 /nfs/dbraw/zinc/13/67/35/850136735.db2.gz QIMRUYMHEFOTCA-INIZCTEOSA-N 1 0 386.879 3.809 20 30 GHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)C1 ZINC000430137278 850159681 /nfs/dbraw/zinc/15/96/81/850159681.db2.gz KXHMXUMOQXHIGM-DXIQSLLYSA-N 1 0 377.536 3.626 20 30 GHEDRO Cc1cccc(CN(CCC(=O)Nc2ccccc2C#N)Cc2cccc(C)n2)n1 ZINC000435187006 850198562 /nfs/dbraw/zinc/19/85/62/850198562.db2.gz GZXQMUQEIMMBOO-UHFFFAOYSA-N 1 0 399.498 3.996 20 30 GHEDRO CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1Cl)C1CCCCC1 ZINC000424101784 850202549 /nfs/dbraw/zinc/20/25/49/850202549.db2.gz PMQOSYNAWXQNKN-GOSISDBHSA-N 1 0 390.915 3.704 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000439645875 850223432 /nfs/dbraw/zinc/22/34/32/850223432.db2.gz KJHDWNJJCDRDKV-UHOSZYNNSA-N 1 0 376.566 3.979 20 30 GHEDRO CSc1cccc([C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c2cc(F)ccc2F)c1 ZINC000424121894 850236389 /nfs/dbraw/zinc/23/63/89/850236389.db2.gz IEGHNZDBQHRPBF-RTBURBONSA-N 1 0 389.471 3.913 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)c1C#N ZINC000426454482 850239640 /nfs/dbraw/zinc/23/96/40/850239640.db2.gz PUOGSNSJZMVMDM-TZIWHRDSSA-N 1 0 376.504 3.838 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000424144048 850247011 /nfs/dbraw/zinc/24/70/11/850247011.db2.gz ROSXOILDGZSZOP-INIZCTEOSA-N 1 0 383.414 3.878 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000424296428 850339847 /nfs/dbraw/zinc/33/98/47/850339847.db2.gz OMFLAEQLWDCQME-PMVMPFDFSA-N 1 0 399.556 3.923 20 30 GHEDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000424423904 850433135 /nfs/dbraw/zinc/43/31/35/850433135.db2.gz GZDKHGDELCCOCB-UHFFFAOYSA-N 1 0 382.439 3.540 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000174557848 850435520 /nfs/dbraw/zinc/43/55/20/850435520.db2.gz ALEMRCCZUCMMHA-UHFFFAOYSA-N 1 0 395.466 3.975 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000425372369 850481802 /nfs/dbraw/zinc/48/18/02/850481802.db2.gz NMDVTLCPYTXHAR-SFHVURJKSA-N 1 0 382.426 3.624 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262002967 850490295 /nfs/dbraw/zinc/49/02/95/850490295.db2.gz UXGJNRAMNMYROV-RDJZCZTQSA-N 1 0 398.536 3.648 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000505007012 850517868 /nfs/dbraw/zinc/51/78/68/850517868.db2.gz YQJWSWPDRTXYHM-GGAORHGYSA-N 1 0 393.531 3.810 20 30 GHEDRO C[NH+]=C(N[C@H](C)c1cccc(N2CCCC2)c1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262004142 850554568 /nfs/dbraw/zinc/55/45/68/850554568.db2.gz VDURKLWFRCPCOH-RCOXNQKVSA-N 1 0 384.568 3.716 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435525113 850612443 /nfs/dbraw/zinc/61/24/43/850612443.db2.gz HYZGQPWIJNTPNW-UHFFFAOYSA-N 1 0 391.581 3.728 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000415006999 850612968 /nfs/dbraw/zinc/61/29/68/850612968.db2.gz CFQJAEOWNSWRHM-HXUWFJFHSA-N 1 0 384.524 3.530 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@@H]21 ZINC000440001993 850663558 /nfs/dbraw/zinc/66/35/58/850663558.db2.gz ITESQMYIMXVDGW-MJCUULBUSA-N 1 0 391.600 3.595 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000909294014 850676981 /nfs/dbraw/zinc/67/69/81/850676981.db2.gz QLADEWQMEUJBBX-QGZVFWFLSA-N 1 0 375.586 3.877 20 30 GHEDRO C=C(C)Cn1c(C2CCOCC2)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000909280497 850685085 /nfs/dbraw/zinc/68/50/85/850685085.db2.gz BLENJOLPYOPEOO-LJQANCHMSA-N 1 0 395.551 3.631 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(CCC#N)CC2)[NH+](C)C)cc1 ZINC000519147022 850691785 /nfs/dbraw/zinc/69/17/85/850691785.db2.gz HKXLAZLIBSPQJF-OAQYLSRUSA-N 1 0 386.540 3.802 20 30 GHEDRO C[C@H](CNC(=O)N[C@H]1c2ccccc2CC12CCOCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000329702363 862157102 /nfs/dbraw/zinc/15/71/02/862157102.db2.gz HUVRSOWOKZEFOR-OPYAIIAOSA-N 1 0 385.552 3.705 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)ccc1OC ZINC000435750998 850815947 /nfs/dbraw/zinc/81/59/47/850815947.db2.gz PHGBDOKLFNMBKZ-UXHICEINSA-N 1 0 386.536 3.921 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000435735844 850822785 /nfs/dbraw/zinc/82/27/85/850822785.db2.gz QUTFCQMJSXGHQF-CRAIPNDOSA-N 1 0 376.298 3.706 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000515241855 850828676 /nfs/dbraw/zinc/82/86/76/850828676.db2.gz XTDOFIIHOBUKOT-HTAPYJJXSA-N 1 0 395.503 3.532 20 30 GHEDRO N#CCSc1cccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425002021 850841733 /nfs/dbraw/zinc/84/17/33/850841733.db2.gz FAJASIOFKGLZGT-PZJWPPBQSA-N 1 0 377.513 3.649 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c(OC)c1 ZINC000604394704 862177781 /nfs/dbraw/zinc/17/77/81/862177781.db2.gz WXFMCQNYSAZWMH-SFTDATJTSA-N 1 0 399.556 3.954 20 30 GHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000604416505 862191173 /nfs/dbraw/zinc/19/11/73/862191173.db2.gz YQNDNGXLXLQXFT-DHIUTWEWSA-N 1 0 378.516 3.762 20 30 GHEDRO CN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440252465 850985009 /nfs/dbraw/zinc/98/50/09/850985009.db2.gz FMAVNZUNYFUIFI-YADHBBJMSA-N 1 0 376.504 3.947 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[N@H+](C)[C@H](C(C)C)C2)c1C#N ZINC000488029066 851094887 /nfs/dbraw/zinc/09/48/87/851094887.db2.gz VSZUPOHJOFHFLS-NRFANRHFSA-N 1 0 399.583 3.692 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1OC ZINC000180531609 862209872 /nfs/dbraw/zinc/20/98/72/862209872.db2.gz MAVRUVUPFGNGPR-ZBFHGGJFSA-N 1 0 384.314 3.615 20 30 GHEDRO COc1ccc(OCCC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028154861 851177085 /nfs/dbraw/zinc/17/70/85/851177085.db2.gz KETWPRIHRIMTQV-UHFFFAOYSA-N 1 0 379.504 3.544 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000436093977 851212462 /nfs/dbraw/zinc/21/24/62/851212462.db2.gz WQOGERGAXBKINF-UHFFFAOYSA-N 1 0 397.548 3.849 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000604474862 862218280 /nfs/dbraw/zinc/21/82/80/862218280.db2.gz UBUYUZFKOUQGKD-KQVJYAISSA-N 1 0 388.600 3.504 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCCCC3=O)cc2)cc1Cl ZINC000262019630 851226619 /nfs/dbraw/zinc/22/66/19/851226619.db2.gz XJRKVMBFPSULKQ-UHFFFAOYSA-N 1 0 386.883 3.792 20 30 GHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000515641573 851287214 /nfs/dbraw/zinc/28/72/14/851287214.db2.gz XYIOLLMPRWFVRK-IRXDYDNUSA-N 1 0 397.954 3.755 20 30 GHEDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000604485073 862226217 /nfs/dbraw/zinc/22/62/17/862226217.db2.gz PMDFKWJPTIGVPQ-QGZVFWFLSA-N 1 0 380.492 3.793 20 30 GHEDRO N#Cc1cscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000515679423 851348243 /nfs/dbraw/zinc/34/82/43/851348243.db2.gz VWGMIXHTXLKXAD-HNNXBMFYSA-N 1 0 379.407 3.643 20 30 GHEDRO CC(C)(C)OC(=O)CC[N@H+](CC#Cc1ccccc1Cl)C1CCOCC1 ZINC000519539629 851349394 /nfs/dbraw/zinc/34/93/94/851349394.db2.gz LPQZTBSNZHLIHL-UHFFFAOYSA-N 1 0 377.912 3.904 20 30 GHEDRO CC[NH+]1C[C@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000515703800 851358377 /nfs/dbraw/zinc/35/83/77/851358377.db2.gz AVXWYYCLGOWTNP-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000505782558 851391551 /nfs/dbraw/zinc/39/15/51/851391551.db2.gz JXDYFLHUGCXCLG-GCJKJVERSA-N 1 0 391.515 3.588 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000436259765 851392970 /nfs/dbraw/zinc/39/29/70/851392970.db2.gz LGIYLBFEEWGOBM-YLJYHZDGSA-N 1 0 375.513 3.510 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000515839477 851547161 /nfs/dbraw/zinc/54/71/61/851547161.db2.gz TYYDGOUDKHJDOT-HNAYVOBHSA-N 1 0 385.895 3.614 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](CCc2ccccc2)C2CCCC2)cc1 ZINC000604500736 862260701 /nfs/dbraw/zinc/26/07/01/862260701.db2.gz NPHAJFSXSLJQTA-QHCPKHFHSA-N 1 0 378.516 3.980 20 30 GHEDRO Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCCN(CC(C)(C)C)C3=O)CC2)nc1 ZINC000329737479 862275689 /nfs/dbraw/zinc/27/56/89/862275689.db2.gz MCTQIZYVAXACTL-GOSISDBHSA-N 1 0 386.540 3.727 20 30 GHEDRO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000488809509 851785542 /nfs/dbraw/zinc/78/55/42/851785542.db2.gz NTJYOHUQECUZHW-DNVCBOLYSA-N 1 0 375.875 3.889 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000604597961 862296907 /nfs/dbraw/zinc/29/69/07/862296907.db2.gz JOPDTQACJYCATC-PKOBYXMFSA-N 1 0 379.570 3.583 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000604597958 862297755 /nfs/dbraw/zinc/29/77/55/862297755.db2.gz JOPDTQACJYCATC-HKUYNNGSSA-N 1 0 379.570 3.583 20 30 GHEDRO CC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC(=O)N1 ZINC000329761496 862302085 /nfs/dbraw/zinc/30/20/85/862302085.db2.gz RMTINZQWPKPSAX-YQQAZPJKSA-N 1 0 390.503 3.740 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000489141254 852043173 /nfs/dbraw/zinc/04/31/73/852043173.db2.gz QBGBXBXPJPCAJY-QFIPXVFZSA-N 1 0 377.532 3.963 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664679463 852055347 /nfs/dbraw/zinc/05/53/47/852055347.db2.gz ZXDYRBMYKLMGNR-IBGZPJMESA-N 1 0 397.563 3.715 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438169329 852107074 /nfs/dbraw/zinc/10/70/74/852107074.db2.gz MWFUIMCJSGYDNJ-INIZCTEOSA-N 1 0 386.845 3.814 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)ccc1OC)C(=S)NC1CCC1 ZINC000292281655 852167852 /nfs/dbraw/zinc/16/78/52/852167852.db2.gz IEMVFRMYNYNSRM-UHFFFAOYSA-O 1 0 383.537 3.934 20 30 GHEDRO C=CCCn1cc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)nn1 ZINC000425607590 852195029 /nfs/dbraw/zinc/19/50/29/852195029.db2.gz NTQIWHDQFULWEQ-UHFFFAOYSA-N 1 0 387.915 3.640 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517668688 852246051 /nfs/dbraw/zinc/24/60/51/852246051.db2.gz XEDQVJYDIFCZJV-KRWDZBQOSA-N 1 0 392.503 3.986 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(NC(C)(C)C)=[NH+]C[C@H]1CCCO1 ZINC000912507932 852313526 /nfs/dbraw/zinc/31/35/26/852313526.db2.gz HRNHRMCJANAYNJ-LJQANCHMSA-N 1 0 383.540 3.502 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc3cc(C)ccc3n2-c2ccc(C)cc2)CC1 ZINC001126481337 852442107 /nfs/dbraw/zinc/44/21/07/852442107.db2.gz DESXXBKELYCOEE-UHFFFAOYSA-N 1 0 386.499 3.926 20 30 GHEDRO CCOc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000438466908 852445664 /nfs/dbraw/zinc/44/56/64/852445664.db2.gz AEQIPMSGUHSPNF-UHFFFAOYSA-N 1 0 381.476 3.840 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000516454876 852577236 /nfs/dbraw/zinc/57/72/36/852577236.db2.gz XXZQCXZCZNGIOE-IWMITWMQSA-N 1 0 386.442 3.714 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1C(F)(F)F ZINC000438636797 852656259 /nfs/dbraw/zinc/65/62/59/852656259.db2.gz LSRLPITUAHLBDY-MRXNPFEDSA-N 1 0 380.414 3.963 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSCc2ccc(Br)cc2)CC1 ZINC000517982574 852699715 /nfs/dbraw/zinc/69/97/15/852699715.db2.gz SVKCQPADKFOORA-UHFFFAOYSA-N 1 0 397.382 3.839 20 30 GHEDRO Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)nnn1CC1CCCC1 ZINC000329867936 862385454 /nfs/dbraw/zinc/38/54/54/862385454.db2.gz WTTRPIPGFCHKOY-HZPDHXFCSA-N 1 0 375.561 3.838 20 30 GHEDRO CC(C)(C)CC(=O)N1CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000437089597 852723010 /nfs/dbraw/zinc/72/30/10/852723010.db2.gz NXZVLTUDXGCAGM-UHFFFAOYSA-N 1 0 398.551 3.660 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000425727010 852777663 /nfs/dbraw/zinc/77/76/63/852777663.db2.gz PXQMEAOAFNKMQN-QGZVFWFLSA-N 1 0 377.492 3.572 20 30 GHEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440495870 852790467 /nfs/dbraw/zinc/79/04/67/852790467.db2.gz QBUAGDUZUFIADP-OAHLLOKOSA-N 1 0 392.341 3.563 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000669053218 852950452 /nfs/dbraw/zinc/95/04/52/852950452.db2.gz AQDGLSYBIRDEKM-UXHICEINSA-N 1 0 397.592 3.785 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000669053220 852950483 /nfs/dbraw/zinc/95/04/83/852950483.db2.gz AQDGLSYBIRDEKM-WOJBJXKFSA-N 1 0 397.592 3.785 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000490354661 852974108 /nfs/dbraw/zinc/97/41/08/852974108.db2.gz MPFNGLNCLMVUEM-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000506024981 852987013 /nfs/dbraw/zinc/98/70/13/852987013.db2.gz ANHZHAGARLQDCI-NRFANRHFSA-N 1 0 379.479 3.710 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000151152573 853101012 /nfs/dbraw/zinc/10/10/12/853101012.db2.gz KETLMCMFXQYUOO-GFCCVEGCSA-N 1 0 375.831 3.866 20 30 GHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437429958 853105452 /nfs/dbraw/zinc/10/54/52/853105452.db2.gz WHPYUVKAPDNLGE-WMLDXEAASA-N 1 0 379.451 3.676 20 30 GHEDRO Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000329925786 862429991 /nfs/dbraw/zinc/42/99/91/862429991.db2.gz VSLFWZDJOIIQBT-GOSISDBHSA-N 1 0 395.551 3.956 20 30 GHEDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507636484 853131477 /nfs/dbraw/zinc/13/14/77/853131477.db2.gz OVGYZRLALBPDRO-MHIUNMELSA-N 1 0 375.516 3.680 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(OC)c1 ZINC000437529563 853231406 /nfs/dbraw/zinc/23/14/06/853231406.db2.gz YJYIDCGFMFARTH-OPYAIIAOSA-N 1 0 377.550 3.523 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414979525 853250047 /nfs/dbraw/zinc/25/00/47/853250047.db2.gz VJGPWHKLFWPGLV-MRXNPFEDSA-N 1 0 383.330 3.500 20 30 GHEDRO CCC(CC)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000518434792 853343403 /nfs/dbraw/zinc/34/34/03/853343403.db2.gz PALNZJOYBPXZIH-SFHVURJKSA-N 1 0 377.535 3.556 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000437639023 853370259 /nfs/dbraw/zinc/37/02/59/853370259.db2.gz HWONPPXXCHWADT-FCHUYYIVSA-N 1 0 385.552 3.699 20 30 GHEDRO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000519795516 853479802 /nfs/dbraw/zinc/47/98/02/853479802.db2.gz YZUMFOOGLRPQTJ-RDPSFJRHSA-N 1 0 394.515 3.911 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519836449 853525827 /nfs/dbraw/zinc/52/58/27/853525827.db2.gz AVKWHAJBCOHOKN-IIBYNOLFSA-N 1 0 377.463 3.508 20 30 GHEDRO N#Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C(F)(F)F ZINC000519851602 853545979 /nfs/dbraw/zinc/54/59/79/853545979.db2.gz QJRAZSDAXXHGIN-DLBZAZTESA-N 1 0 386.421 3.930 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C#N ZINC000571023970 853690083 /nfs/dbraw/zinc/69/00/83/853690083.db2.gz FJMGZQRMAPIUGK-DOMZBBRYSA-N 1 0 375.523 3.589 20 30 GHEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000439486619 853694879 /nfs/dbraw/zinc/69/48/79/853694879.db2.gz XQPYHPGCFYPWTQ-HTAPYJJXSA-N 1 0 394.475 3.552 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000171584518 862491912 /nfs/dbraw/zinc/49/19/12/862491912.db2.gz MCZLZPOALMQBCQ-KRWDZBQOSA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC(=O)N(C)C ZINC000507732728 853813835 /nfs/dbraw/zinc/81/38/35/853813835.db2.gz NHYLCDWMSXJNMT-UHFFFAOYSA-N 1 0 379.504 3.683 20 30 GHEDRO Cc1nc(SCC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c(C#N)c(C)c1C ZINC000520365050 854140285 /nfs/dbraw/zinc/14/02/85/854140285.db2.gz JNAHFCORUUKLGY-UHFFFAOYSA-N 1 0 388.581 3.551 20 30 GHEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481928820 862535652 /nfs/dbraw/zinc/53/56/52/862535652.db2.gz SFOHMMXFBOJSDW-BTYIYWSLSA-N 1 0 383.517 3.585 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000185986046 862539698 /nfs/dbraw/zinc/53/96/98/862539698.db2.gz JPDMPNZUZMUYGS-YADHBBJMSA-N 1 0 398.528 3.772 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1C#N)[n+]1ccccc1 ZINC000186963561 862542919 /nfs/dbraw/zinc/54/29/19/862542919.db2.gz VUNBRYHMBBCEGX-UHFFFAOYSA-O 1 0 377.449 3.502 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000588339659 854298963 /nfs/dbraw/zinc/29/89/63/854298963.db2.gz KHFBXEAMVCHGLC-HSZRJFAPSA-N 1 0 392.478 3.505 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21)[NH+](C)C ZINC000588665594 854316228 /nfs/dbraw/zinc/31/62/28/854316228.db2.gz JGHBWAIDZWZBRH-SSKFGXFMSA-N 1 0 376.504 3.845 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2ncc3c(c2C#N)CCC3)CCOCC1)c1ccccc1 ZINC000572115269 854398280 /nfs/dbraw/zinc/39/82/80/854398280.db2.gz ZADCPANZDATYSA-KRWDZBQOSA-N 1 0 376.504 3.754 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000572130990 854408687 /nfs/dbraw/zinc/40/86/87/854408687.db2.gz VVMQHUFPNKFSJI-APWZRJJASA-N 1 0 378.501 3.925 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2C[C@@H](C(C)C)c3ccccc32)c1C#N ZINC000572314235 854460596 /nfs/dbraw/zinc/46/05/96/854460596.db2.gz SEVRRWKSWUVSPZ-YJBOKZPZSA-N 1 0 379.508 3.689 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000458890884 854468163 /nfs/dbraw/zinc/46/81/63/854468163.db2.gz KJZHHXZFTLKZLB-FQEVSTJZSA-N 1 0 394.544 3.871 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(F)c1 ZINC000572398773 854477900 /nfs/dbraw/zinc/47/79/00/854477900.db2.gz AROFHQKIZKLXNH-GOSISDBHSA-N 1 0 383.442 3.755 20 30 GHEDRO CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000328607044 854481746 /nfs/dbraw/zinc/48/17/46/854481746.db2.gz KWIABGWLMPJEIZ-UKRRQHHQSA-N 1 0 393.509 3.566 20 30 GHEDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C1CCC2(CC1)NC(=O)NC2=O ZINC000328650497 854489554 /nfs/dbraw/zinc/48/95/54/854489554.db2.gz AZYQFKHMHIFYBE-UHFFFAOYSA-N 1 0 390.528 3.802 20 30 GHEDRO CN(C)c1cc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c2ccccc2n1 ZINC000330096895 862570859 /nfs/dbraw/zinc/57/08/59/862570859.db2.gz ACGDGYBOOJSXMY-UHFFFAOYSA-N 1 0 395.551 3.711 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000328659790 854493429 /nfs/dbraw/zinc/49/34/29/854493429.db2.gz UEKGCZNGYRFBON-GOSISDBHSA-N 1 0 377.492 3.949 20 30 GHEDRO Cc1cn2c(n1)[C@@H](CNC(=O)NC1CC[NH+](Cc3ccccc3C)CC1)CCC2 ZINC000328665681 854496081 /nfs/dbraw/zinc/49/60/81/854496081.db2.gz ZLBKMIVKQDRITA-LJQANCHMSA-N 1 0 395.551 3.546 20 30 GHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098651 862572523 /nfs/dbraw/zinc/57/25/23/862572523.db2.gz CDSZPMORPWTBFR-PGKIEUPTSA-N 1 0 376.541 3.570 20 30 GHEDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328738210 854522322 /nfs/dbraw/zinc/52/23/22/854522322.db2.gz KRHRFPFIDSNGNU-KRWDZBQOSA-N 1 0 376.545 3.578 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000328832745 854566439 /nfs/dbraw/zinc/56/64/39/854566439.db2.gz VQXPDBRTELPNCX-GUDVDZBRSA-N 1 0 386.540 3.870 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc(OC)c1OCC(F)F ZINC000588926024 854596464 /nfs/dbraw/zinc/59/64/64/854596464.db2.gz KNJAHCJMRVMGRT-QGZVFWFLSA-N 1 0 388.414 3.996 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1 ZINC000328953057 854615290 /nfs/dbraw/zinc/61/52/90/854615290.db2.gz MGSXZRMYYLINPP-BTHPGYMESA-N 1 0 384.524 3.567 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000589242172 854756742 /nfs/dbraw/zinc/75/67/42/854756742.db2.gz QQKDZGGQRCVXTO-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000112543010 854762842 /nfs/dbraw/zinc/76/28/42/854762842.db2.gz GOBHCBNYWFLKIS-IRXDYDNUSA-N 1 0 383.467 3.816 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)[C@@H](C)C1 ZINC000330915437 854785614 /nfs/dbraw/zinc/78/56/14/854785614.db2.gz UGLQABLYKJGTAL-LPHOPBHVSA-N 1 0 388.556 3.731 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c(OCc2cccnc2)c1 ZINC000589322771 854809059 /nfs/dbraw/zinc/80/90/59/854809059.db2.gz IASAKFAQXREFMW-UHFFFAOYSA-N 1 0 389.455 3.839 20 30 GHEDRO N#Cc1cccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000732938365 862607664 /nfs/dbraw/zinc/60/76/64/862607664.db2.gz DUAGSDVIMNOPSR-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(C(F)F)c1Cl ZINC000331291330 854839058 /nfs/dbraw/zinc/83/90/58/854839058.db2.gz KOUFOBZEUBIWGZ-LLVKDONJSA-N 1 0 375.847 3.600 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481993748 862611183 /nfs/dbraw/zinc/61/11/83/862611183.db2.gz OWSTXPWPBVWLDE-XXBNENTESA-N 1 0 383.499 3.992 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)c1cccc(C)c1C ZINC000669335550 855049620 /nfs/dbraw/zinc/04/96/20/855049620.db2.gz NEJBWOIXXBENDI-QUCCMNQESA-N 1 0 381.524 3.775 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000056796122 855052736 /nfs/dbraw/zinc/05/27/36/855052736.db2.gz VXNAWLWPMGOYPT-NRFANRHFSA-N 1 0 385.483 3.835 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4ccc(C#N)cc4)C3)nc2c1 ZINC000130835165 855213191 /nfs/dbraw/zinc/21/31/91/855213191.db2.gz CNIMQKWPSVPOBX-GOSISDBHSA-N 1 0 387.487 3.951 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CC1 ZINC000057173092 855255741 /nfs/dbraw/zinc/25/57/41/855255741.db2.gz ITBZJOUNNBDENP-UHFFFAOYSA-N 1 0 375.472 3.531 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000106619852 855272286 /nfs/dbraw/zinc/27/22/86/855272286.db2.gz SRQKMQQCNIWWIJ-UHFFFAOYSA-N 1 0 394.494 3.502 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)c(Br)c1 ZINC000590193371 855316834 /nfs/dbraw/zinc/31/68/34/855316834.db2.gz PJQHJQJOHLZUBS-OLZOCXBDSA-N 1 0 396.304 3.970 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107113060 855357941 /nfs/dbraw/zinc/35/79/41/855357941.db2.gz BWIFWGRJQVIYMN-LEWJYISDSA-N 1 0 381.907 3.906 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000590751904 855563697 /nfs/dbraw/zinc/56/36/97/855563697.db2.gz LGOFXRDRUGXXLE-UXHICEINSA-N 1 0 394.471 3.577 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ncc(-c2ccccc2)n1C ZINC000590777745 855580453 /nfs/dbraw/zinc/58/04/53/855580453.db2.gz MQXCQAPEPHDPPM-KRWDZBQOSA-N 1 0 386.503 3.673 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000171722496 862699305 /nfs/dbraw/zinc/69/93/05/862699305.db2.gz XOAZPJNSULYKSO-UHFFFAOYSA-N 1 0 397.906 3.973 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000590816845 855619242 /nfs/dbraw/zinc/61/92/42/855619242.db2.gz SBFLZZRKZPOYEK-JFZIVLOISA-N 1 0 380.536 3.669 20 30 GHEDRO COCCC[NH+]1CCC(Nc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000301172049 855633715 /nfs/dbraw/zinc/63/37/15/855633715.db2.gz XMYXALACLGLYFD-UHFFFAOYSA-N 1 0 377.492 3.580 20 30 GHEDRO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1C ZINC000330268526 862707069 /nfs/dbraw/zinc/70/70/69/862707069.db2.gz RFMXXQXMTQWLTH-MRXNPFEDSA-N 1 0 398.551 3.692 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000465716829 855669104 /nfs/dbraw/zinc/66/91/04/855669104.db2.gz GSPFRALMJOXUJJ-ZRBLBEILSA-N 1 0 390.531 3.641 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)cc1 ZINC000591049126 855736501 /nfs/dbraw/zinc/73/65/01/855736501.db2.gz VKKPBZKYRGCSAJ-JTHBVZDNSA-N 1 0 376.500 3.762 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000057846939 855763222 /nfs/dbraw/zinc/76/32/22/855763222.db2.gz JVPWEMDTJSEASS-QGZVFWFLSA-N 1 0 378.394 3.842 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000301991547 855797337 /nfs/dbraw/zinc/79/73/37/855797337.db2.gz PVKDUNWIVPHCLV-HUUCEWRRSA-N 1 0 381.442 3.903 20 30 GHEDRO Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)nn1-c1cccc(C#N)c1 ZINC000542793441 855846779 /nfs/dbraw/zinc/84/67/79/855846779.db2.gz BZOUQVHNOAVWPS-NRFANRHFSA-N 1 0 397.482 3.677 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000302285387 855850014 /nfs/dbraw/zinc/85/00/14/855850014.db2.gz LPFXBLPQHHDBTE-GJZGRUSLSA-N 1 0 381.442 3.903 20 30 GHEDRO CN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459120548 855859501 /nfs/dbraw/zinc/85/95/01/855859501.db2.gz MZNJKQVJJFAMHQ-FQEVSTJZSA-N 1 0 380.467 3.503 20 30 GHEDRO N#Cc1cc(NC(=O)NCC2C[NH2+]C2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000591287845 855885285 /nfs/dbraw/zinc/88/52/85/855885285.db2.gz LVBQJHZVQAAMGJ-UHFFFAOYSA-N 1 0 390.365 3.710 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cc2)ccn1 ZINC000591307827 855901875 /nfs/dbraw/zinc/90/18/75/855901875.db2.gz NXLSRNHTFSHKBA-KRWDZBQOSA-N 1 0 391.475 3.599 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000591356166 855950310 /nfs/dbraw/zinc/95/03/10/855950310.db2.gz DCNFNTWWWTTYKX-VXKWHMMOSA-N 1 0 388.515 3.756 20 30 GHEDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000195196576 856056189 /nfs/dbraw/zinc/05/61/89/856056189.db2.gz YFTKCFDSYUGYSU-QHCPKHFHSA-N 1 0 394.519 3.875 20 30 GHEDRO Cc1cc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1C#N ZINC000573323395 856077397 /nfs/dbraw/zinc/07/73/97/856077397.db2.gz GNKUIFSJCWSOMZ-UHFFFAOYSA-N 1 0 379.529 3.871 20 30 GHEDRO N#CC1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CCCCC1 ZINC000108975351 856079566 /nfs/dbraw/zinc/07/95/66/856079566.db2.gz OGFCFXRYEVTZLT-UHFFFAOYSA-N 1 0 382.508 3.914 20 30 GHEDRO CCCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000045880543 856138200 /nfs/dbraw/zinc/13/82/00/856138200.db2.gz GNHMSRMMCQMIJK-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000303748512 856147224 /nfs/dbraw/zinc/14/72/24/856147224.db2.gz BCHUHPZCZDYXSX-UHFFFAOYSA-N 1 0 382.426 3.971 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4cccc(C#N)c4)C3)nc2c1 ZINC000536472214 856167389 /nfs/dbraw/zinc/16/73/89/856167389.db2.gz NHYLZKCRVMZKDI-SJLPKXTDSA-N 1 0 387.487 3.950 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)sc2C1 ZINC000171630637 856209985 /nfs/dbraw/zinc/20/99/85/856209985.db2.gz DFQOAVURCQSYNL-GJZGRUSLSA-N 1 0 397.548 3.676 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000591763751 856231775 /nfs/dbraw/zinc/23/17/75/856231775.db2.gz HLAZPDBEYGNXCM-CRAIPNDOSA-N 1 0 377.271 3.882 20 30 GHEDRO CCc1cccc2c(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC000109206133 856258394 /nfs/dbraw/zinc/25/83/94/856258394.db2.gz ZJIPQMYWNQATKM-UHFFFAOYSA-N 1 0 388.515 3.735 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(OC)cc1Cl ZINC000591764862 856270053 /nfs/dbraw/zinc/27/00/53/856270053.db2.gz MEWYLUYSJAKNOQ-QGZVFWFLSA-N 1 0 399.878 3.835 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC4(CCCC4)C3)sc2C1 ZINC000485250017 856281156 /nfs/dbraw/zinc/28/11/56/856281156.db2.gz XVFDYZVOOBNNFK-OAHLLOKOSA-N 1 0 387.549 3.718 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000905465255 856351510 /nfs/dbraw/zinc/35/15/10/856351510.db2.gz NQHZUCZQPAOOQP-GFCCVEGCSA-N 1 0 377.204 3.612 20 30 GHEDRO N#CC1CCC(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000619659546 856352031 /nfs/dbraw/zinc/35/20/31/856352031.db2.gz UTACYNVKSUDKQG-NCGMKCSASA-N 1 0 394.563 3.916 20 30 GHEDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000109788570 856370761 /nfs/dbraw/zinc/37/07/61/856370761.db2.gz QKQFCNSLYIZFBI-UHFFFAOYSA-N 1 0 388.581 3.633 20 30 GHEDRO N#Cc1ccc2ncc(CN3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)n2c1 ZINC000123279293 856470881 /nfs/dbraw/zinc/47/08/81/856470881.db2.gz CWNYJRWPNJLDDN-UHFFFAOYSA-N 1 0 379.895 3.567 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000465856358 856588614 /nfs/dbraw/zinc/58/86/14/856588614.db2.gz GCFOUEFDWXHBDO-FQEVSTJZSA-N 1 0 385.552 3.700 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000485467712 856613024 /nfs/dbraw/zinc/61/30/24/856613024.db2.gz SCKPVHBDKHWEBR-ROUUACIJSA-N 1 0 388.577 3.926 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1OCCc2sccc21 ZINC000427819583 856766022 /nfs/dbraw/zinc/76/60/22/856766022.db2.gz RAXLAOFZWUZAMP-FTLABTOESA-N 1 0 389.908 3.892 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000592301927 856771849 /nfs/dbraw/zinc/77/18/49/856771849.db2.gz FADANGWYUICWPS-UNMCSNQZSA-N 1 0 385.552 3.836 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)CC1 ZINC000592352059 856798988 /nfs/dbraw/zinc/79/89/88/856798988.db2.gz VLBHZOGLZUVJPA-NRFANRHFSA-N 1 0 395.551 3.943 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1C#N ZINC000592185328 856800514 /nfs/dbraw/zinc/80/05/14/856800514.db2.gz XIONXJOVZOZDRF-INIZCTEOSA-N 1 0 398.551 3.921 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000465895235 856802486 /nfs/dbraw/zinc/80/24/86/856802486.db2.gz QXXPLDINQZSEPX-OMYXNUHHSA-N 1 0 396.535 3.516 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000465895239 856803022 /nfs/dbraw/zinc/80/30/22/856803022.db2.gz QXXPLDINQZSEPX-YZDRJCRTSA-N 1 0 396.535 3.516 20 30 GHEDRO CC[N@H+](CCSC)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000592200070 856811650 /nfs/dbraw/zinc/81/16/50/856811650.db2.gz VWRHZNOLSSACPN-UHFFFAOYSA-N 1 0 388.537 3.631 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000111422605 856912207 /nfs/dbraw/zinc/91/22/07/856912207.db2.gz PITKGACVARZPSK-UHFFFAOYSA-N 1 0 394.519 3.633 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C#N)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000245539839 856937320 /nfs/dbraw/zinc/93/73/20/856937320.db2.gz HZDWLNOQLDJEHZ-VXKWHMMOSA-N 1 0 375.472 3.583 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1SCCc2sccc21 ZINC000173580612 857002331 /nfs/dbraw/zinc/00/23/31/857002331.db2.gz WKVZAIFIKHXNLA-LJQANCHMSA-N 1 0 385.558 3.541 20 30 GHEDRO CN(c1ccc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)cc1)C1CC[NH+](C)CC1 ZINC000906340262 857014947 /nfs/dbraw/zinc/01/49/47/857014947.db2.gz BZZBNSXCNGXVSB-QPFKGPCDSA-N 1 0 380.536 3.876 20 30 GHEDRO CC(C)N(C(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592695274 857028029 /nfs/dbraw/zinc/02/80/29/857028029.db2.gz WVZDJDLQURAOSG-QFIPXVFZSA-N 1 0 390.531 3.749 20 30 GHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000111868119 857030502 /nfs/dbraw/zinc/03/05/02/857030502.db2.gz XMAJRPVUMWNIMU-LJQANCHMSA-N 1 0 394.475 3.583 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3nc(Cl)c(C#N)s3)C2)CC1 ZINC000888411422 857131601 /nfs/dbraw/zinc/13/16/01/857131601.db2.gz YSLDJRGRTUXHMR-CYBMUJFWSA-N 1 0 381.933 3.644 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000112791689 857208841 /nfs/dbraw/zinc/20/88/41/857208841.db2.gz YYMKMUVRBWAUII-VQTJNVASSA-N 1 0 383.442 3.530 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c1F ZINC000574036373 857218764 /nfs/dbraw/zinc/21/87/64/857218764.db2.gz OPVWSRKGLLOWCV-QGZVFWFLSA-N 1 0 383.442 3.755 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C#N)c1C ZINC000246130628 857244636 /nfs/dbraw/zinc/24/46/36/857244636.db2.gz IUEQQQQLKHKGGA-MJGOQNOKSA-N 1 0 386.540 3.683 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574138165 857259066 /nfs/dbraw/zinc/25/90/66/857259066.db2.gz RMCYFCUCZJESAQ-VWMIWKDOSA-N 1 0 387.527 3.935 20 30 GHEDRO CC(C)(C#N)c1ccc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000593071081 857334695 /nfs/dbraw/zinc/33/46/95/857334695.db2.gz XXKIECOCSRPYPG-DNQXCXABSA-N 1 0 389.543 3.963 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1OCCCC#N ZINC000174582739 857346008 /nfs/dbraw/zinc/34/60/08/857346008.db2.gz JPERSDIVYFUYGR-XLIONFOSSA-N 1 0 393.487 3.661 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](c4ccnc(N)n4)C3)c2)c1 ZINC000520893588 857372642 /nfs/dbraw/zinc/37/26/42/857372642.db2.gz YFHXEXFUDZAXSB-OAQYLSRUSA-N 1 0 399.498 3.719 20 30 GHEDRO COc1cc(C)c(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C ZINC000593197989 857387676 /nfs/dbraw/zinc/38/76/76/857387676.db2.gz AIDZEXIQHYLEII-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO Cc1cccc(C2(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CCCC2)c1 ZINC000330327322 862910248 /nfs/dbraw/zinc/91/02/48/862910248.db2.gz VMLKHXCRUUIRDZ-NHCUHLMSSA-N 1 0 385.552 3.646 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc(OC)c1O ZINC000113327437 857430221 /nfs/dbraw/zinc/43/02/21/857430221.db2.gz JONOGPBRWOCKMI-UHFFFAOYSA-N 1 0 390.483 3.629 20 30 GHEDRO N#CC[C@@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593350659 857513736 /nfs/dbraw/zinc/51/37/36/857513736.db2.gz DJXDLLAYFJVVNO-QFIPXVFZSA-N 1 0 386.499 3.726 20 30 GHEDRO N#CC1(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000593429588 857585955 /nfs/dbraw/zinc/58/59/55/857585955.db2.gz HQCVXUJUAQHVFD-UHFFFAOYSA-N 1 0 380.536 3.768 20 30 GHEDRO Cc1ccc(-c2nn(C)cc2CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000592496650 857586060 /nfs/dbraw/zinc/58/60/60/857586060.db2.gz CLDQGTVJCIGZJY-UHFFFAOYSA-N 1 0 389.503 3.568 20 30 GHEDRO CCc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000077586649 857594355 /nfs/dbraw/zinc/59/43/55/857594355.db2.gz BWUJDCVUHIZWGN-UHFFFAOYSA-N 1 0 376.504 3.538 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000521098893 857595754 /nfs/dbraw/zinc/59/57/54/857595754.db2.gz NGZUWCCRZISKHN-QFIPXVFZSA-N 1 0 391.515 3.796 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C1CC1 ZINC000181586339 862930906 /nfs/dbraw/zinc/93/09/06/862930906.db2.gz JBIDQUUVIJYJTO-RBBKRZOGSA-N 1 0 383.442 3.647 20 30 GHEDRO Cc1nc(SCC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C#N)c(C)c1C ZINC000058861258 857663848 /nfs/dbraw/zinc/66/38/48/857663848.db2.gz BJNFPNYQCVQRHY-UHFFFAOYSA-N 1 0 388.581 3.549 20 30 GHEDRO CSC1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[NH+](C)CC1 ZINC000574305450 857689873 /nfs/dbraw/zinc/68/98/73/857689873.db2.gz MLKKMNOICADFGU-UHFFFAOYSA-N 1 0 395.528 3.908 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)C1=O ZINC000499603354 857705061 /nfs/dbraw/zinc/70/50/61/857705061.db2.gz RISYQXMGSVXPTD-SFTDATJTSA-N 1 0 394.515 3.673 20 30 GHEDRO Cc1ccc(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2)nn1 ZINC000592593353 857773208 /nfs/dbraw/zinc/77/32/08/857773208.db2.gz CLAJNPXFDQXJCO-UHFFFAOYSA-N 1 0 399.498 3.528 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000922089945 857795240 /nfs/dbraw/zinc/79/52/40/857795240.db2.gz LIPYKENRNSRPJP-OTWHNJEPSA-N 1 0 394.556 3.506 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000499616982 857802669 /nfs/dbraw/zinc/80/26/69/857802669.db2.gz KRJJSSXYHMPOHB-HSZRJFAPSA-N 1 0 391.515 3.656 20 30 GHEDRO CC(C)(C)CCC1(O)CC(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593885642 862954050 /nfs/dbraw/zinc/95/40/50/862954050.db2.gz IYTNWGUEPOXSIF-UHFFFAOYSA-N 1 0 397.563 3.606 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000609187630 881345618 /nfs/dbraw/zinc/34/56/18/881345618.db2.gz BZZLYKTXGZPXOZ-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccco1 ZINC000157912918 857902930 /nfs/dbraw/zinc/90/29/30/857902930.db2.gz PFNSOBKHPIIJPD-AEFFLSMTSA-N 1 0 399.564 3.766 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)C1 ZINC001127160440 857977254 /nfs/dbraw/zinc/97/72/54/857977254.db2.gz AQHHXZRLRAKVAO-KOSHJBKYSA-N 1 0 392.547 3.996 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000442648913 858025944 /nfs/dbraw/zinc/02/59/44/858025944.db2.gz NCZDJVNTFVKAPU-NJEBVKGESA-N 1 0 382.552 3.772 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2C)CC1 ZINC000439043589 858125617 /nfs/dbraw/zinc/12/56/17/858125617.db2.gz NOBHDWVEVFXENZ-UHFFFAOYSA-N 1 0 382.895 3.914 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC000521600688 858148089 /nfs/dbraw/zinc/14/80/89/858148089.db2.gz PUJDRVWZIDRPRI-UHFFFAOYSA-N 1 0 391.515 3.738 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000594433259 858176629 /nfs/dbraw/zinc/17/66/29/858176629.db2.gz MTMYQPPSLLZJID-OAHLLOKOSA-N 1 0 396.438 3.856 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC000594443337 858179045 /nfs/dbraw/zinc/17/90/45/858179045.db2.gz OHNBSUWZNHIJFF-GOSISDBHSA-N 1 0 395.894 3.706 20 30 GHEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)N2CCOCC2)cc1 ZINC000594494196 858191424 /nfs/dbraw/zinc/19/14/24/858191424.db2.gz VXVAMIHTAUIKBZ-QHCPKHFHSA-N 1 0 393.531 3.659 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000594503703 858195371 /nfs/dbraw/zinc/19/53/71/858195371.db2.gz IGHXLDUNBOJHMC-UHFFFAOYSA-N 1 0 376.909 3.834 20 30 GHEDRO CCOc1cc(NC2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)ncn1 ZINC000594613497 858241871 /nfs/dbraw/zinc/24/18/71/858241871.db2.gz UEZIUPMTSPKEAN-UHFFFAOYSA-N 1 0 379.508 3.753 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000521708514 858263229 /nfs/dbraw/zinc/26/32/29/858263229.db2.gz HVUPBGVCZPSLGH-QFIPXVFZSA-N 1 0 375.516 3.959 20 30 GHEDRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000594840674 858294890 /nfs/dbraw/zinc/29/48/90/858294890.db2.gz OLUOBGBBJLDTDA-UHFFFAOYSA-N 1 0 397.972 3.507 20 30 GHEDRO COc1cccc(NC2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)c1 ZINC000158101021 858310946 /nfs/dbraw/zinc/31/09/46/858310946.db2.gz CSNCIIVMDLHLRU-UHFFFAOYSA-N 1 0 381.476 3.531 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c(-c2ccncc2)n1 ZINC000594975346 858335900 /nfs/dbraw/zinc/33/59/00/858335900.db2.gz SMAOTXZKEUHELB-UNMCSNQZSA-N 1 0 387.487 3.521 20 30 GHEDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000594938750 858340669 /nfs/dbraw/zinc/34/06/69/858340669.db2.gz PTRWYIJXZVMQPC-JOCHJYFZSA-N 1 0 377.488 3.546 20 30 GHEDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000594993352 858360871 /nfs/dbraw/zinc/36/08/71/858360871.db2.gz PCUVCPTWIKXGDG-LJQANCHMSA-N 1 0 391.515 3.874 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000443104268 858361415 /nfs/dbraw/zinc/36/14/15/858361415.db2.gz NJQZKMVPBDEHKW-UHFFFAOYSA-N 1 0 391.924 3.530 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000595231917 858447483 /nfs/dbraw/zinc/44/74/83/858447483.db2.gz HVXLQPZSLOBQAL-OAHLLOKOSA-N 1 0 391.313 3.564 20 30 GHEDRO CC(C)C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000574939749 858492675 /nfs/dbraw/zinc/49/26/75/858492675.db2.gz DGWGSMFGNWOXMR-SFHVURJKSA-N 1 0 391.924 3.757 20 30 GHEDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115368554 858508006 /nfs/dbraw/zinc/50/80/06/858508006.db2.gz GVVCGTCNOOCNHC-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO CC[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000592998471 858524739 /nfs/dbraw/zinc/52/47/39/858524739.db2.gz AWXIFSBNCNMEFA-MRXNPFEDSA-N 1 0 383.517 3.582 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595573698 858556615 /nfs/dbraw/zinc/55/66/15/858556615.db2.gz HMDUMTUFXAMVAD-GMBSWORKSA-N 1 0 392.906 3.807 20 30 GHEDRO C=CC[C@H]1CCCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000595658607 858641067 /nfs/dbraw/zinc/64/10/67/858641067.db2.gz GCBGNCBELYHIIM-KGLIPLIRSA-N 1 0 389.521 3.819 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1[C@@H](C)CO ZINC000595674618 858645509 /nfs/dbraw/zinc/64/55/09/858645509.db2.gz MHNKZOUCEORKGB-JZXOWHBKSA-N 1 0 375.538 3.502 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595791535 858677704 /nfs/dbraw/zinc/67/77/04/858677704.db2.gz VKPJOTZDDMEJNZ-UGKGYDQZSA-N 1 0 399.535 3.613 20 30 GHEDRO CCc1cccc(CC)c1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595775306 858683526 /nfs/dbraw/zinc/68/35/26/858683526.db2.gz UXPJNKWFEZJYDH-UHFFFAOYSA-N 1 0 391.515 3.917 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000595777897 858685046 /nfs/dbraw/zinc/68/50/46/858685046.db2.gz LUBJLEUVMIYMDC-DLBZAZTESA-N 1 0 375.900 3.866 20 30 GHEDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000595823721 858698916 /nfs/dbraw/zinc/69/89/16/858698916.db2.gz PYWGTMACNJDURF-QFIPXVFZSA-N 1 0 390.531 3.574 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595870581 858720401 /nfs/dbraw/zinc/72/04/01/858720401.db2.gz KJTIVGJMPKBGQP-VXKWHMMOSA-N 1 0 380.536 3.590 20 30 GHEDRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000595969452 858735350 /nfs/dbraw/zinc/73/53/50/858735350.db2.gz FRGFJSJBZDTWMH-AEFFLSMTSA-N 1 0 383.414 3.530 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNc1nc2ncccc2cc1C#N ZINC000596075324 858772372 /nfs/dbraw/zinc/77/23/72/858772372.db2.gz HBMGURCUJFOTBQ-UHFFFAOYSA-N 1 0 375.476 3.834 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000183625475 858783244 /nfs/dbraw/zinc/78/32/44/858783244.db2.gz DMNZJRGLFOTHMU-JXFKEZNVSA-N 1 0 379.460 3.825 20 30 GHEDRO Cc1c(Cl)cnc(N2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C#N ZINC000856535222 881348565 /nfs/dbraw/zinc/34/85/65/881348565.db2.gz RIFYAOIQVXEJHA-GOSISDBHSA-N 1 0 399.926 3.808 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159050965 858834906 /nfs/dbraw/zinc/83/49/06/858834906.db2.gz DUAXAYIKMFZVSL-OALUTQOASA-N 1 0 382.552 3.862 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)C3CC(c4cccc(F)c4)C3)CC2)cc1 ZINC000522216002 858835327 /nfs/dbraw/zinc/83/53/27/858835327.db2.gz YBFQUGOMYOQDPE-UHFFFAOYSA-N 1 0 391.490 3.925 20 30 GHEDRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000131019334 858865527 /nfs/dbraw/zinc/86/55/27/858865527.db2.gz FTZUGYPCCRONRC-KRWDZBQOSA-N 1 0 394.393 3.523 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596435312 858896535 /nfs/dbraw/zinc/89/65/35/858896535.db2.gz DPXLKUFEHUMASU-GCJKJVERSA-N 1 0 376.504 3.578 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164782681 858911567 /nfs/dbraw/zinc/91/15/67/858911567.db2.gz CQOLILUNLSYXLR-WOJBJXKFSA-N 1 0 397.592 3.949 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856546933 881360624 /nfs/dbraw/zinc/36/06/24/881360624.db2.gz SZWSIVHVMAQWOM-XZOQPEGZSA-N 1 0 396.494 3.576 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000499688763 858928648 /nfs/dbraw/zinc/92/86/48/858928648.db2.gz ZFHQVVGQRUSUAX-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000596502089 858929348 /nfs/dbraw/zinc/92/93/48/858929348.db2.gz BKUBWOUIHPCRDB-DHIUTWEWSA-N 1 0 390.531 3.990 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@H]3CCN(c4ccc(C#N)cc4)C3=O)CCCC2)c1 ZINC000522278085 858943430 /nfs/dbraw/zinc/94/34/30/858943430.db2.gz IWLHSTFGGBGRDV-QFIPXVFZSA-N 1 0 389.499 3.774 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000609306375 881364586 /nfs/dbraw/zinc/36/45/86/881364586.db2.gz ILKXTYQGTLUKRR-IRXDYDNUSA-N 1 0 379.435 3.846 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000116434572 858973255 /nfs/dbraw/zinc/97/32/55/858973255.db2.gz ZTXHLPALKPWPFL-GOSISDBHSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522304872 858984825 /nfs/dbraw/zinc/98/48/25/858984825.db2.gz FWNOZEPSMVHZNN-OAHLLOKOSA-N 1 0 396.304 3.523 20 30 GHEDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000596649797 858995812 /nfs/dbraw/zinc/99/58/12/858995812.db2.gz LHGBNYBXTGEBET-BVSLBCMMSA-N 1 0 379.479 3.819 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000593216553 859000786 /nfs/dbraw/zinc/00/07/86/859000786.db2.gz XEBYVIBFNSKYCB-UHFFFAOYSA-N 1 0 379.464 3.695 20 30 GHEDRO CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000596695816 859011979 /nfs/dbraw/zinc/01/19/79/859011979.db2.gz CGHFDVBHPMVUBP-OAQYLSRUSA-N 1 0 392.503 3.890 20 30 GHEDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c([N+](=O)[O-])c1 ZINC001170352866 881390556 /nfs/dbraw/zinc/39/05/56/881390556.db2.gz SDBXDTPSAIBMIZ-KKSFZXQISA-N 1 0 395.459 3.949 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(-n3ccnc3)c2)cc1OCCCC#N ZINC000522374124 859249937 /nfs/dbraw/zinc/24/99/37/859249937.db2.gz HSPNUQOQXQFJGQ-UHFFFAOYSA-N 1 0 376.460 3.853 20 30 GHEDRO COc1cccc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)oc21 ZINC000129882385 859284829 /nfs/dbraw/zinc/28/48/29/859284829.db2.gz CYYMGXBETWBMJL-UHFFFAOYSA-N 1 0 377.444 3.517 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000550570726 859299646 /nfs/dbraw/zinc/29/96/46/859299646.db2.gz CCFUVESPNROQFN-ZDUSSCGKSA-N 1 0 382.430 3.602 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)cc2)CC1 ZINC000597151309 859318557 /nfs/dbraw/zinc/31/85/57/859318557.db2.gz MQKXCDOBCJYMCH-QFIPXVFZSA-N 1 0 376.500 3.862 20 30 GHEDRO CCOc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1OCC(=O)N1CCCCC1 ZINC000597175046 859336093 /nfs/dbraw/zinc/33/60/93/859336093.db2.gz UYYZUSOFVZYKOH-LJQANCHMSA-N 1 0 399.535 3.602 20 30 GHEDRO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H](CC#N)C3)cc2OC)o1 ZINC000597177628 859337488 /nfs/dbraw/zinc/33/74/88/859337488.db2.gz QSVCZNUEXBDRHW-INIZCTEOSA-N 1 0 398.459 3.779 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H](c3ccccc3)C3CC3)CC2)c1 ZINC000593299423 859342465 /nfs/dbraw/zinc/34/24/65/859342465.db2.gz AHTZTTTXFHUAEY-QHCPKHFHSA-N 1 0 388.515 3.973 20 30 GHEDRO COc1cccc(C2([NH2+]CCCC3(C#N)CCOCC3)CCOCC2)c1F ZINC000499729428 859347889 /nfs/dbraw/zinc/34/78/89/859347889.db2.gz CDHAGVIKOQAAID-UHFFFAOYSA-N 1 0 376.472 3.530 20 30 GHEDRO Cc1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC000593316384 859392906 /nfs/dbraw/zinc/39/29/06/859392906.db2.gz OLEKDQUDWLJAOL-UHFFFAOYSA-N 1 0 376.504 3.639 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000069416336 859501366 /nfs/dbraw/zinc/50/13/66/859501366.db2.gz YFPLQDCTQBBJTI-HXUWFJFHSA-N 1 0 380.492 3.908 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CCC(C[NH+]4CCCC4)CC3)n2CC2CC2)cc1 ZINC000597421061 859521536 /nfs/dbraw/zinc/52/15/36/859521536.db2.gz DXUXTMDPKQBOHC-UHFFFAOYSA-N 1 0 390.535 3.539 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@]34CCCc3ccccc34)CC2)c1 ZINC000593352863 859537146 /nfs/dbraw/zinc/53/71/46/859537146.db2.gz GCOHEJGCERPMOJ-RSXGOPAZSA-N 1 0 399.538 3.933 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)CC2)c1 ZINC000593355675 859545716 /nfs/dbraw/zinc/54/57/16/859545716.db2.gz YBMMMYIZIFXTSG-SFTDATJTSA-N 1 0 395.453 3.721 20 30 GHEDRO CC(C)Oc1ccccc1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593353807 859549141 /nfs/dbraw/zinc/54/91/41/859549141.db2.gz GEPMOVWEQMQPKK-UHFFFAOYSA-N 1 0 391.515 3.669 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCOc3cccc(F)c3)CC2)c1 ZINC000593355131 859558135 /nfs/dbraw/zinc/55/81/35/859558135.db2.gz LTBPNWGSOHPICE-UHFFFAOYSA-N 1 0 395.478 3.637 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)c1 ZINC000593356816 859575420 /nfs/dbraw/zinc/57/54/20/859575420.db2.gz SNHFOFLZSRFLQX-KCZVDYSFSA-N 1 0 380.536 3.791 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000611037932 859583704 /nfs/dbraw/zinc/58/37/04/859583704.db2.gz BKTZQOQCNWULGX-QGZVFWFLSA-N 1 0 383.410 3.992 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000611037931 859583946 /nfs/dbraw/zinc/58/39/46/859583946.db2.gz BKTZQOQCNWULGX-KRWDZBQOSA-N 1 0 383.410 3.992 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CC(Cc3ccccc3)(c3ccccc3)C2)CCOCC1 ZINC000601957815 859659363 /nfs/dbraw/zinc/65/93/63/859659363.db2.gz HGKZAYKIVBDEMB-HSZRJFAPSA-N 1 0 390.527 3.554 20 30 GHEDRO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nc1C ZINC000895583632 859678878 /nfs/dbraw/zinc/67/88/78/859678878.db2.gz MISTWGWZLYHRKA-WMLDXEAASA-N 1 0 399.516 3.909 20 30 GHEDRO C[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000611294034 859686112 /nfs/dbraw/zinc/68/61/12/859686112.db2.gz HPLFWZIKJXKOOO-SFHVURJKSA-N 1 0 391.519 3.962 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)cc1 ZINC000474265734 859722233 /nfs/dbraw/zinc/72/22/33/859722233.db2.gz HZHFZKKTYOUXAZ-UHFFFAOYSA-N 1 0 393.878 3.836 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(C#N)c1 ZINC000611387624 859731927 /nfs/dbraw/zinc/73/19/27/859731927.db2.gz RAFDZSCSJXQOPV-HNNXBMFYSA-N 1 0 377.444 3.889 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(C#N)c1 ZINC000611387625 859732142 /nfs/dbraw/zinc/73/21/42/859732142.db2.gz RAFDZSCSJXQOPV-OAHLLOKOSA-N 1 0 377.444 3.889 20 30 GHEDRO COC(=O)c1c(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)sc2c1CCCC2 ZINC000611389148 859732963 /nfs/dbraw/zinc/73/29/63/859732963.db2.gz XLSWNGXTABGCFX-CYBMUJFWSA-N 1 0 397.500 3.574 20 30 GHEDRO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000611389374 859733074 /nfs/dbraw/zinc/73/30/74/859733074.db2.gz UYNMVMFMOGUWRN-CQSZACIVSA-N 1 0 392.484 3.980 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCc4cc(C#N)ccc43)nc2)CC1 ZINC000611475637 859774538 /nfs/dbraw/zinc/77/45/38/859774538.db2.gz PPOKCXHWHCFAGD-JOCHJYFZSA-N 1 0 375.520 3.973 20 30 GHEDRO Cc1ccc(C)n1C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611515636 859796209 /nfs/dbraw/zinc/79/62/09/859796209.db2.gz IGIZPQKQNXQUDN-JOCHJYFZSA-N 1 0 376.504 3.809 20 30 GHEDRO C[C@H](NC(=O)c1cc2ccccc2n1CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611518550 859797048 /nfs/dbraw/zinc/79/70/48/859797048.db2.gz RXPXRRVJAYBRQL-GHTZIAJQSA-N 1 0 386.499 3.805 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492370464 859839629 /nfs/dbraw/zinc/83/96/29/859839629.db2.gz AJWQJCIZGJQBNZ-HXUWFJFHSA-N 1 0 399.556 3.780 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1OC ZINC000765248362 859864952 /nfs/dbraw/zinc/86/49/52/859864952.db2.gz WNTJPAMIPOQFCG-UWJYYQICSA-N 1 0 394.515 3.683 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597911287 859905135 /nfs/dbraw/zinc/90/51/35/859905135.db2.gz IWSHRVUMLCDYNM-MJGOQNOKSA-N 1 0 379.426 3.593 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(C#N)c1C ZINC000161472681 859985670 /nfs/dbraw/zinc/98/56/70/859985670.db2.gz SZKSRISWDCSQRM-HXUWFJFHSA-N 1 0 399.516 3.933 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)n2c1 ZINC000123530168 859991166 /nfs/dbraw/zinc/99/11/66/859991166.db2.gz JRNTVOFNKWCEBW-UHFFFAOYSA-N 1 0 399.429 3.887 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H](C)Oc3ccc(C#N)cc3)C2)s1 ZINC000552136229 859996982 /nfs/dbraw/zinc/99/69/82/859996982.db2.gz DRQBAXSBLPEBGW-MJGOQNOKSA-N 1 0 397.544 3.676 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000593496652 860014455 /nfs/dbraw/zinc/01/44/55/860014455.db2.gz VBNBEIVMNKMZSV-NHCUHLMSSA-N 1 0 390.531 3.730 20 30 GHEDRO C[C@@H](c1ccccc1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593509243 860061744 /nfs/dbraw/zinc/06/17/44/860061744.db2.gz BVGXSMGMJLZLML-SFHVURJKSA-N 1 0 376.504 3.925 20 30 GHEDRO CCN(CCc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511440 860073162 /nfs/dbraw/zinc/07/31/62/860073162.db2.gz ZBJWDGUDNAEHDH-UHFFFAOYSA-N 1 0 390.531 3.797 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000602536616 860085275 /nfs/dbraw/zinc/08/52/75/860085275.db2.gz VFKBCEAKUKGTTI-MRXNPFEDSA-N 1 0 384.549 3.954 20 30 GHEDRO COc1cc(Br)c(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602545150 860090898 /nfs/dbraw/zinc/09/08/98/860090898.db2.gz UJHAYMSVWIOSMF-ZDUSSCGKSA-N 1 0 397.313 3.655 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Cl)cc(Cl)c3N)CC2)nc1 ZINC000602528238 860099567 /nfs/dbraw/zinc/09/95/67/860099567.db2.gz CPPDDAMMVDTLNH-UHFFFAOYSA-N 1 0 376.291 3.601 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000602557354 860109728 /nfs/dbraw/zinc/10/97/28/860109728.db2.gz ZPTSKTASUOOHFH-WOJBJXKFSA-N 1 0 385.552 3.575 20 30 GHEDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602565989 860117361 /nfs/dbraw/zinc/11/73/61/860117361.db2.gz UEPFUQXHHNIPGH-HNNXBMFYSA-N 1 0 393.915 3.674 20 30 GHEDRO CC(C)[N@H+](C)CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000102061430 860121402 /nfs/dbraw/zinc/12/14/02/860121402.db2.gz MKTPCXFSNWTRDM-UHFFFAOYSA-N 1 0 380.492 3.793 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000598194021 860123751 /nfs/dbraw/zinc/12/37/51/860123751.db2.gz DILKDNIMOPWOBZ-QFIPXVFZSA-N 1 0 391.490 3.504 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000602549903 860124995 /nfs/dbraw/zinc/12/49/95/860124995.db2.gz FLEQCRSRJYETIR-HZPDHXFCSA-N 1 0 397.441 3.852 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1C(C)C ZINC000593516926 860133922 /nfs/dbraw/zinc/13/39/22/860133922.db2.gz QGJQIUAMNJLZPC-VXKWHMMOSA-N 1 0 382.552 3.845 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1OCCCC#N ZINC000922530330 860137685 /nfs/dbraw/zinc/13/76/85/860137685.db2.gz GALIVTYWPLSQRN-JKIUYZKVSA-N 1 0 380.488 3.560 20 30 GHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508954841 860238314 /nfs/dbraw/zinc/23/83/14/860238314.db2.gz YVMMKROZZIKOMT-AEFFLSMTSA-N 1 0 383.565 3.954 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508955217 860260981 /nfs/dbraw/zinc/26/09/81/860260981.db2.gz DREKRVFNWSTSNV-OAQYLSRUSA-N 1 0 390.535 3.764 20 30 GHEDRO CSc1ccccc1NC(=O)CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910322 860344268 /nfs/dbraw/zinc/34/42/68/860344268.db2.gz QHAAXTORQDYBDP-UHFFFAOYSA-N 1 0 380.517 3.883 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(N3CCOCC3=O)cc2)CC1 ZINC001170371954 881532692 /nfs/dbraw/zinc/53/26/92/881532692.db2.gz PUSMZBAXPRRZSU-UHFFFAOYSA-N 1 0 389.499 3.544 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CN(c3ncnc4ccccc43)C2)CC1 ZINC001170372125 881534416 /nfs/dbraw/zinc/53/44/16/881534416.db2.gz XGQOYWBNQGFKFZ-UHFFFAOYSA-N 1 0 383.499 3.812 20 30 GHEDRO C[NH+](C)CCc1ccccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428939998 860465677 /nfs/dbraw/zinc/46/56/77/860465677.db2.gz OMNUTPOCYLXLJS-UHFFFAOYSA-N 1 0 387.487 3.820 20 30 GHEDRO CC1(c2ccccc2)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000598663782 860479761 /nfs/dbraw/zinc/47/97/61/860479761.db2.gz QSMPSHYRNAPSDD-UHFFFAOYSA-N 1 0 388.515 3.506 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000729976031 860480164 /nfs/dbraw/zinc/48/01/64/860480164.db2.gz UVYTZLSDMVIKON-SREVYHEPSA-N 1 0 377.326 3.927 20 30 GHEDRO CC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000598680288 860499030 /nfs/dbraw/zinc/49/90/30/860499030.db2.gz UXSPRRQMMXGBIC-HSZRJFAPSA-N 1 0 388.515 3.610 20 30 GHEDRO C[C@@H]1CCCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000904539730 860500630 /nfs/dbraw/zinc/50/06/30/860500630.db2.gz PWCISIFRCMJCBS-XYPHTWIQSA-N 1 0 382.430 3.711 20 30 GHEDRO CC(C)(C[NH3+])C1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000904541439 860501493 /nfs/dbraw/zinc/50/14/93/860501493.db2.gz ZIKJVGFUAPCEBF-MRXNPFEDSA-N 1 0 382.430 3.568 20 30 GHEDRO C=CCSc1ccccc1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428954095 860507761 /nfs/dbraw/zinc/50/77/61/860507761.db2.gz HXVKXDHMUOTZHN-HSZRJFAPSA-N 1 0 396.556 3.674 20 30 GHEDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000922715972 860513840 /nfs/dbraw/zinc/51/38/40/860513840.db2.gz JNHJOWGWDSNRER-UHFFFAOYSA-N 1 0 388.397 3.506 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000598722059 860528832 /nfs/dbraw/zinc/52/88/32/860528832.db2.gz YURUNBDTAJLSEC-INIZCTEOSA-N 1 0 384.351 3.848 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000603179323 860532338 /nfs/dbraw/zinc/53/23/38/860532338.db2.gz VREXKFTXDJNFHS-GOSISDBHSA-N 1 0 394.523 3.550 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000552696134 860556447 /nfs/dbraw/zinc/55/64/47/860556447.db2.gz LQVRPWJUPQBBQL-GCJKJVERSA-N 1 0 389.499 3.836 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CC1 ZINC000172119424 860578466 /nfs/dbraw/zinc/57/84/66/860578466.db2.gz KCCWSVDSAHYJQF-MUUNZHRXSA-N 1 0 397.544 3.766 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598614 881572342 /nfs/dbraw/zinc/57/23/42/881572342.db2.gz VXTYZQTYXHTSBX-NRFANRHFSA-N 1 0 382.483 3.586 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000156127927 860688266 /nfs/dbraw/zinc/68/82/66/860688266.db2.gz LQVIWNFOKNYHFP-UHFFFAOYSA-N 1 0 397.544 3.806 20 30 GHEDRO N#Cc1ccnc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1 ZINC000555599800 860770517 /nfs/dbraw/zinc/77/05/17/860770517.db2.gz QOLBAJBFDHCHQE-FQEVSTJZSA-N 1 0 388.496 3.544 20 30 GHEDRO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)CC2 ZINC000593693165 860903720 /nfs/dbraw/zinc/90/37/20/860903720.db2.gz RIMLCFGTCIQUMZ-QHCPKHFHSA-N 1 0 375.516 3.678 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1O ZINC000593695332 860914605 /nfs/dbraw/zinc/91/46/05/860914605.db2.gz KZCRXTWRWGTWBF-SFHVURJKSA-N 1 0 393.531 3.848 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@@H]3c3ccc(F)cc3)CC2)c1 ZINC000600083011 860921931 /nfs/dbraw/zinc/92/19/31/860921931.db2.gz RKKGIOSOHLNVNZ-PKTZIBPZSA-N 1 0 391.490 3.972 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701906 860925921 /nfs/dbraw/zinc/92/59/21/860925921.db2.gz HGQDGRJLPWWQMF-SFHVURJKSA-N 1 0 391.515 3.862 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000603649090 860975009 /nfs/dbraw/zinc/97/50/09/860975009.db2.gz VRVFDCSPVYHEIZ-HNNXBMFYSA-N 1 0 383.521 3.601 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CCOCC1 ZINC000599265121 860995845 /nfs/dbraw/zinc/99/58/45/860995845.db2.gz RLWSQEFBZDKKQT-JKSUJKDBSA-N 1 0 380.891 3.557 20 30 GHEDRO CC1(C)CC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000329075056 860997728 /nfs/dbraw/zinc/99/77/28/860997728.db2.gz AEMNYKYDVFROPL-ZPMCFJSWSA-N 1 0 399.579 3.723 20 30 GHEDRO C[C@@H](c1ccccc1Br)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599272171 861020505 /nfs/dbraw/zinc/02/05/05/861020505.db2.gz LMCPVMORXYCDPS-GJZGRUSLSA-N 1 0 381.314 3.513 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1OC ZINC000623431508 861059647 /nfs/dbraw/zinc/05/96/47/861059647.db2.gz ILLGTXVXRAHERF-ZDUSSCGKSA-N 1 0 377.916 3.985 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1COc2ccccc21 ZINC000185607173 861069535 /nfs/dbraw/zinc/06/95/35/861069535.db2.gz NHMUAYGNSMOTRI-RDTXWAMCSA-N 1 0 395.528 3.981 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)CCOCC1 ZINC000599332922 861071992 /nfs/dbraw/zinc/07/19/92/861071992.db2.gz XXLLDTGJCLBGCK-QGZVFWFLSA-N 1 0 394.437 3.866 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)CCOCC1 ZINC000599340320 861076712 /nfs/dbraw/zinc/07/67/12/861076712.db2.gz SOJLBFKBVYZFDG-VWNXMTODSA-N 1 0 390.527 3.900 20 30 GHEDRO O=C(NCc1nc2cc(Br)ccc2o1)C1CC[NH+](C2CC2)CC1 ZINC000329159742 861078874 /nfs/dbraw/zinc/07/88/74/861078874.db2.gz DXHNGVRZYWVNIR-UHFFFAOYSA-N 1 0 378.270 3.921 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1cccc(C#N)c1 ZINC000599349705 861087300 /nfs/dbraw/zinc/08/73/00/861087300.db2.gz QOKQDKSVHJLCEM-KPZWWZAWSA-N 1 0 384.277 3.925 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599356227 861100349 /nfs/dbraw/zinc/10/03/49/861100349.db2.gz BZWQMYPTTQVCKP-WZONZLPQSA-N 1 0 389.499 3.947 20 30 GHEDRO COc1ccccc1O[C@@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000329174656 861103467 /nfs/dbraw/zinc/10/34/67/861103467.db2.gz BCKAESZOTNOZNG-QGZVFWFLSA-N 1 0 389.540 3.762 20 30 GHEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc4ccccc43)CC2)C1=O ZINC000329188192 861118218 /nfs/dbraw/zinc/11/82/18/861118218.db2.gz QHWYVCBHAAFCOF-BDTNDASRSA-N 1 0 391.515 3.595 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)C2)C1 ZINC000329239105 861183698 /nfs/dbraw/zinc/18/36/98/861183698.db2.gz QBVXIGKQLCNQFO-AJTFCVKESA-N 1 0 375.557 3.636 20 30 GHEDRO CCCC[N@H+](C)CCNC(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC ZINC000439661317 863134101 /nfs/dbraw/zinc/13/41/01/863134101.db2.gz GAYRLUHATNUPFH-UHFFFAOYSA-N 1 0 382.512 3.550 20 30 GHEDRO CCC[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001127532834 881637014 /nfs/dbraw/zinc/63/70/14/881637014.db2.gz WLSUJHAXTCQYBX-QFIPXVFZSA-N 1 0 390.531 3.751 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000160123837 863329645 /nfs/dbraw/zinc/32/96/45/863329645.db2.gz HUZNMAFZMJWKIM-FOIQADDNSA-N 1 0 380.467 3.975 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000062485104 863434732 /nfs/dbraw/zinc/43/47/32/863434732.db2.gz CAPBEVUSJHBCMK-UHFFFAOYSA-N 1 0 379.479 3.767 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)c2)CC1 ZINC000594006755 863727497 /nfs/dbraw/zinc/72/74/97/863727497.db2.gz ATTYQPZDITZNMF-SFHVURJKSA-N 1 0 376.504 3.517 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000594008463 863731540 /nfs/dbraw/zinc/73/15/40/863731540.db2.gz PFHQQMMNBKFFSE-KRWDZBQOSA-N 1 0 392.503 3.574 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172585276 863763806 /nfs/dbraw/zinc/76/38/06/863763806.db2.gz SKJZHULGSMJWMB-FQEVSTJZSA-N 1 0 382.552 3.581 20 30 GHEDRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032653 863821949 /nfs/dbraw/zinc/82/19/49/863821949.db2.gz YXINQZUOHDFEPV-OAHLLOKOSA-N 1 0 383.442 3.553 20 30 GHEDRO C[N@@H+]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H](c2ccccc2)C1 ZINC000444307715 863851413 /nfs/dbraw/zinc/85/14/13/863851413.db2.gz ARGKXSFADCORLO-UNMCSNQZSA-N 1 0 386.499 3.773 20 30 GHEDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480019748 863851714 /nfs/dbraw/zinc/85/17/14/863851714.db2.gz FXKSYEFVMIBDEE-MBSDFSHPSA-N 1 0 385.515 3.884 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000734297000 864130124 /nfs/dbraw/zinc/13/01/24/864130124.db2.gz QRRSBGGBJGCUAR-QGZVFWFLSA-N 1 0 389.503 3.869 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734300277 864135070 /nfs/dbraw/zinc/13/50/70/864135070.db2.gz NLZIQRKAUDZFTH-AZUAARDMSA-N 1 0 378.472 3.781 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000494443780 881731638 /nfs/dbraw/zinc/73/16/38/881731638.db2.gz CDVSDCPQOQJNCE-REWPJTCUSA-N 1 0 378.472 3.803 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000043111296 864153528 /nfs/dbraw/zinc/15/35/28/864153528.db2.gz KZEAVZRWPCETAJ-JOCHJYFZSA-N 1 0 392.503 3.545 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNCc1ccc(Br)cc1 ZINC000734365466 864178959 /nfs/dbraw/zinc/17/89/59/864178959.db2.gz IORMXIDNNCXKSX-HNNXBMFYSA-N 1 0 387.325 3.832 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475122021 864254925 /nfs/dbraw/zinc/25/49/25/864254925.db2.gz VJGRXOZDPBCHTN-OAQYLSRUSA-N 1 0 379.504 3.667 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000734658864 864376432 /nfs/dbraw/zinc/37/64/32/864376432.db2.gz LYJDVPSQFXEGDG-FCHUYYIVSA-N 1 0 378.520 3.835 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000734667943 864393669 /nfs/dbraw/zinc/39/36/69/864393669.db2.gz VAJXSURQPGUNFY-UNMCSNQZSA-N 1 0 378.520 3.563 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(OCC4CC4)cc3)C2=O)cc1 ZINC000480304387 864449497 /nfs/dbraw/zinc/44/94/97/864449497.db2.gz BYCZBWLFKGPZCS-JOCHJYFZSA-N 1 0 375.472 3.632 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000465411059 881767027 /nfs/dbraw/zinc/76/70/27/881767027.db2.gz ODQXKCWSLJDFJW-QHAWAJNXSA-N 1 0 392.503 3.898 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508793514 864473931 /nfs/dbraw/zinc/47/39/31/864473931.db2.gz IENWZBKHDBRJFQ-HKUYNNGSSA-N 1 0 399.514 3.808 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000475256338 864638895 /nfs/dbraw/zinc/63/88/95/864638895.db2.gz AKSKTBBCGWFYNV-SFHVURJKSA-N 1 0 385.552 3.667 20 30 GHEDRO N#CCC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000132907622 881796183 /nfs/dbraw/zinc/79/61/83/881796183.db2.gz NJYRWISCQAZZOO-YADHBBJMSA-N 1 0 376.504 3.995 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)CC1 ZINC000063452163 864743509 /nfs/dbraw/zinc/74/35/09/864743509.db2.gz UPEDXYAGFCYGNF-UHFFFAOYSA-N 1 0 375.472 3.531 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186332186 864844291 /nfs/dbraw/zinc/84/42/91/864844291.db2.gz YELUTVSTAXHSMI-QFIPXVFZSA-N 1 0 376.504 3.610 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000554842493 865000234 /nfs/dbraw/zinc/00/02/34/865000234.db2.gz XGLFVSYJAOZXLT-HSZRJFAPSA-N 1 0 393.531 3.836 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)C(C)C ZINC000480642112 865003371 /nfs/dbraw/zinc/00/33/71/865003371.db2.gz CCSLGCIJXLRDKW-UXHICEINSA-N 1 0 399.535 3.960 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000554849187 865037659 /nfs/dbraw/zinc/03/76/59/865037659.db2.gz WRCIKQLHZBGBOO-KGLIPLIRSA-N 1 0 386.293 3.849 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc(OC)c1OC ZINC000792971443 881829551 /nfs/dbraw/zinc/82/95/51/881829551.db2.gz NKPDQOAFTAJXDW-UHFFFAOYSA-N 1 0 398.894 3.956 20 30 GHEDRO CC(C)[N@H+](CC(=O)N(C)CCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063750435 865302862 /nfs/dbraw/zinc/30/28/62/865302862.db2.gz NZYSLNITKJRLPM-UHFFFAOYSA-N 1 0 379.504 3.696 20 30 GHEDRO Cc1ccc(SCCNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750961 865305817 /nfs/dbraw/zinc/30/58/17/865305817.db2.gz ZZMHUZOSJSTFMX-UHFFFAOYSA-N 1 0 381.545 3.986 20 30 GHEDRO COc1cccc([C@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)[NH+](C)C)c1 ZINC000594212614 865394234 /nfs/dbraw/zinc/39/42/34/865394234.db2.gz GSLJQQRNMPQHDS-NRFANRHFSA-N 1 0 392.503 3.548 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)c1cccc(OC)c1 ZINC000594208272 865405172 /nfs/dbraw/zinc/40/51/72/865405172.db2.gz GANNNYHWIZLCAX-QFIPXVFZSA-N 1 0 392.503 3.675 20 30 GHEDRO CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000480894886 865477335 /nfs/dbraw/zinc/47/73/35/865477335.db2.gz FNWMVJBQAXMOFG-FQEVSTJZSA-N 1 0 377.513 3.876 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000738069841 865478306 /nfs/dbraw/zinc/47/83/06/865478306.db2.gz MOCXNILNNDGDLM-UHFFFAOYSA-N 1 0 384.471 3.842 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)N2Cc3ccc(C#N)cc3C2)C[N@@H+]1Cc1ccccc1 ZINC000594234758 865502151 /nfs/dbraw/zinc/50/21/51/865502151.db2.gz XHFGJUXMDRAXLJ-WIYYLYMNSA-N 1 0 388.515 3.884 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000172217638 865526293 /nfs/dbraw/zinc/52/62/93/865526293.db2.gz ZTVSFDTVTOJXGV-UHFFFAOYSA-N 1 0 375.472 3.517 20 30 GHEDRO N#C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Cl ZINC000172295786 865548804 /nfs/dbraw/zinc/54/88/04/865548804.db2.gz CZEGOOZFGZQMNJ-OAQYLSRUSA-N 1 0 396.922 3.623 20 30 GHEDRO C[C@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000594250347 865605924 /nfs/dbraw/zinc/60/59/24/865605924.db2.gz ONEUEGAHIIFXOK-HKUYNNGSSA-N 1 0 380.536 3.890 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H](SCC)C2)cc1 ZINC000481049828 865742490 /nfs/dbraw/zinc/74/24/90/865742490.db2.gz FJMGMZVLDKAZIZ-HXUWFJFHSA-N 1 0 389.565 3.940 20 30 GHEDRO Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc(C#N)n1 ZINC000555229916 865749783 /nfs/dbraw/zinc/74/97/83/865749783.db2.gz HHPSHQYODHGISI-FQEVSTJZSA-N 1 0 376.504 3.602 20 30 GHEDRO COc1ccc(CNCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1C#N ZINC000174419170 865782908 /nfs/dbraw/zinc/78/29/08/865782908.db2.gz UROAXEHUVSGHLS-SFHVURJKSA-N 1 0 379.504 3.556 20 30 GHEDRO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000739911707 865826131 /nfs/dbraw/zinc/82/61/31/865826131.db2.gz AMFJLWLOFIIXJE-HSZRJFAPSA-N 1 0 391.515 3.616 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)c2)s1 ZINC000740058089 865838962 /nfs/dbraw/zinc/83/89/62/865838962.db2.gz QADUCABIMPUPPS-SFHVURJKSA-N 1 0 380.517 3.570 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740484822 865929814 /nfs/dbraw/zinc/92/98/14/865929814.db2.gz VHIATXFBKDILKL-UHFFFAOYSA-N 1 0 382.533 3.770 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000740737435 865974853 /nfs/dbraw/zinc/97/48/53/865974853.db2.gz NHXOMOLPLGOPTK-OALUTQOASA-N 1 0 393.556 3.950 20 30 GHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)C1)CCCC2 ZINC000456030026 866011053 /nfs/dbraw/zinc/01/10/53/866011053.db2.gz VGRQQXDSVGTBNQ-FQEVSTJZSA-N 1 0 390.531 3.984 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C12CCC2 ZINC001168342462 881968078 /nfs/dbraw/zinc/96/80/78/881968078.db2.gz ZYXWLQSDZKMCMT-FGZHOGPDSA-N 1 0 389.499 3.740 20 30 GHEDRO Cc1cc(Br)c(C(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000552863916 866382277 /nfs/dbraw/zinc/38/22/77/866382277.db2.gz MBYVGWPYJCTAON-UHFFFAOYSA-N 1 0 386.721 3.719 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccnc(OCc3ccccc3)c2)cc1OC ZINC000303909360 866398657 /nfs/dbraw/zinc/39/86/57/866398657.db2.gz YDHOBLMPJZMOSQ-UHFFFAOYSA-N 1 0 392.459 3.605 20 30 GHEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552989769 866567855 /nfs/dbraw/zinc/56/78/55/866567855.db2.gz HZQZIISXYIHTLV-MRXNPFEDSA-N 1 0 390.959 3.665 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000534348446 866596241 /nfs/dbraw/zinc/59/62/41/866596241.db2.gz PERMAMNXRKMDIT-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000553034962 866671328 /nfs/dbraw/zinc/67/13/28/866671328.db2.gz WHEZJCYNUUECRL-KRWDZBQOSA-N 1 0 391.458 3.967 20 30 GHEDRO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000793189682 882005771 /nfs/dbraw/zinc/00/57/71/882005771.db2.gz CWFFYGKBKPPPNS-UHFFFAOYSA-N 1 0 388.512 3.650 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508833590 866916450 /nfs/dbraw/zinc/91/64/50/866916450.db2.gz PWPBXNBHBFUTOT-SFHVURJKSA-N 1 0 385.943 3.773 20 30 GHEDRO Cc1ccc(-c2noc(CN3CC[NH+](CCCCC(C)(C)C#N)CC3)n2)cc1 ZINC000444601802 866932366 /nfs/dbraw/zinc/93/23/66/866932366.db2.gz XGBGNEAAORNWED-UHFFFAOYSA-N 1 0 381.524 3.883 20 30 GHEDRO COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc21 ZINC000190622647 882031753 /nfs/dbraw/zinc/03/17/53/882031753.db2.gz WFFYVWYUURKXPA-DNVCBOLYSA-N 1 0 389.455 3.765 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000523288428 866997030 /nfs/dbraw/zinc/99/70/30/866997030.db2.gz RYCWFOCDTYVFNZ-QGZVFWFLSA-N 1 0 395.503 3.971 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508834114 867092924 /nfs/dbraw/zinc/09/29/24/867092924.db2.gz SANRFRKAFYLVIO-XUVXKRRUSA-N 1 0 387.572 3.654 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000553365456 867272380 /nfs/dbraw/zinc/27/23/80/867272380.db2.gz JIKXKJGSIJGUDR-UHFFFAOYSA-N 1 0 379.420 3.566 20 30 GHEDRO C[C@@H](Sc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479280891 867474963 /nfs/dbraw/zinc/47/49/63/867474963.db2.gz JNNMXNMWWPPQHF-GOSISDBHSA-N 1 0 379.529 3.842 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000553483923 867526092 /nfs/dbraw/zinc/52/60/92/867526092.db2.gz JECKSEKMBMIJCK-RXVVDRJESA-N 1 0 379.504 3.886 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000553510833 867565879 /nfs/dbraw/zinc/56/58/79/867565879.db2.gz KTZCYEVFTBNAQG-SJKOYZFVSA-N 1 0 386.421 3.977 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000553500417 867583692 /nfs/dbraw/zinc/58/36/92/867583692.db2.gz SYURYJBWICVGDG-FQEVSTJZSA-N 1 0 392.503 3.639 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000523589159 867589886 /nfs/dbraw/zinc/58/98/86/867589886.db2.gz RVJOTMPUMZHPNK-DEOSSOPVSA-N 1 0 398.510 3.776 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC1CC([NH+]2CCCCC2)C1 ZINC000793335672 882114000 /nfs/dbraw/zinc/11/40/00/882114000.db2.gz HZQZVYAQTKPNOL-UHFFFAOYSA-N 1 0 377.326 3.568 20 30 GHEDRO C#Cc1cccc(NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)c1 ZINC000743061321 867809142 /nfs/dbraw/zinc/80/91/42/867809142.db2.gz MHRXZXCPRZZFSH-UHFFFAOYSA-N 1 0 394.544 3.627 20 30 GHEDRO C=C(C)CNC(=S)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000743063173 867812223 /nfs/dbraw/zinc/81/22/23/867812223.db2.gz ZKTLYOCWWUOLAR-QGZVFWFLSA-N 1 0 385.499 3.823 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000743199127 867949854 /nfs/dbraw/zinc/94/98/54/867949854.db2.gz VDDRXBVRDGLVQL-SFHVURJKSA-N 1 0 387.499 3.958 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000553867018 868378474 /nfs/dbraw/zinc/37/84/74/868378474.db2.gz TVZMINSNASFMDU-JOCHJYFZSA-N 1 0 393.531 3.615 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+](CCO)C2CCCCC2)ccc1Cl ZINC000535286476 868494406 /nfs/dbraw/zinc/49/44/06/868494406.db2.gz UCFDWLNDLSMFCB-UHFFFAOYSA-N 1 0 377.916 3.522 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000508531668 868551532 /nfs/dbraw/zinc/55/15/32/868551532.db2.gz OJQGXIMMJHSLKH-UHFFFAOYSA-N 1 0 394.515 3.885 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000524184895 868672783 /nfs/dbraw/zinc/67/27/83/868672783.db2.gz APBBDRHVVVOKHU-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1OC ZINC000479905092 868694071 /nfs/dbraw/zinc/69/40/71/868694071.db2.gz WOUMAEROZWULIT-JLZZUVOBSA-N 1 0 375.538 3.619 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=S ZINC000744438074 868839494 /nfs/dbraw/zinc/83/94/94/868839494.db2.gz RXJXOLDCYZJCSY-MSOLQXFVSA-N 1 0 387.528 3.532 20 30 GHEDRO CC(C)Cc1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000744445708 868847352 /nfs/dbraw/zinc/84/73/52/868847352.db2.gz HVHJVLHKLUIQQB-UHFFFAOYSA-N 1 0 381.520 3.683 20 30 GHEDRO NC(=[NH+]OCC(=O)Nc1cccc(Cl)c1)c1ccc(N2CCCCC2)cc1 ZINC000744448863 868850998 /nfs/dbraw/zinc/85/09/98/868850998.db2.gz ZJLKUSZPBBHTMS-UHFFFAOYSA-N 1 0 386.883 3.606 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669817620 868915591 /nfs/dbraw/zinc/91/55/91/868915591.db2.gz DMAIGWOJOLHIMN-FQEVSTJZSA-N 1 0 388.519 3.545 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000122197408 868998573 /nfs/dbraw/zinc/99/85/73/868998573.db2.gz UFYUPYSSZVRFEP-HUUCEWRRSA-N 1 0 385.961 3.598 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000524453176 869104001 /nfs/dbraw/zinc/10/40/01/869104001.db2.gz QZBYRGSDXREFQV-JXFKEZNVSA-N 1 0 393.487 3.812 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000744843229 869105089 /nfs/dbraw/zinc/10/50/89/869105089.db2.gz AQZMJCLTUXXAHD-QFIPXVFZSA-N 1 0 379.479 3.808 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccccc2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000776937324 882271009 /nfs/dbraw/zinc/27/10/09/882271009.db2.gz CSVSWPVGHHZKBH-XXBNENTESA-N 1 0 375.516 3.807 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)c(C#N)c1C ZINC000539493518 869217775 /nfs/dbraw/zinc/21/77/75/869217775.db2.gz MZJLCHXGGFRMTK-GOSISDBHSA-N 1 0 387.455 3.929 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000539613019 869445837 /nfs/dbraw/zinc/44/58/37/869445837.db2.gz HTCMAHIUTWRPDW-OXJNMPFZSA-N 1 0 375.538 3.504 20 30 GHEDRO CSc1ccccc1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000539647258 869538303 /nfs/dbraw/zinc/53/83/03/869538303.db2.gz BQCNONHSUUCFQF-UHFFFAOYSA-N 1 0 379.529 3.557 20 30 GHEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(-c3ccccc3C#N)cc1)CC2 ZINC000152876935 869574675 /nfs/dbraw/zinc/57/46/75/869574675.db2.gz UAMYRJONHRYVOC-XZOQPEGZSA-N 1 0 376.500 3.977 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)C1 ZINC000446244266 869599790 /nfs/dbraw/zinc/59/97/90/869599790.db2.gz BHFZEBSQTJYZPK-AWEZNQCLSA-N 1 0 385.414 3.809 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3noc(C4CCCCC4)n3)CC2)cc1 ZINC000121656097 869764434 /nfs/dbraw/zinc/76/44/34/869764434.db2.gz NYMUZAPZHLGNOO-UHFFFAOYSA-N 1 0 379.508 3.697 20 30 GHEDRO C=CCn1c(SCC[NH+]2CCCCC2)nnc1[C@@H]1COc2ccccc2O1 ZINC000247977306 870252065 /nfs/dbraw/zinc/25/20/65/870252065.db2.gz GDWBBAAUNJRKAV-SFHVURJKSA-N 1 0 386.521 3.555 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508865842 870310322 /nfs/dbraw/zinc/31/03/22/870310322.db2.gz WWTMTGLGXYYWTB-HXUWFJFHSA-N 1 0 390.535 3.532 20 30 GHEDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925186943 870403240 /nfs/dbraw/zinc/40/32/40/870403240.db2.gz JATOKPCEYSQFPV-FGTMMUONSA-N 1 0 381.561 3.693 20 30 GHEDRO C=CC[N@H+](Cc1cccc2c1OCCCO2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732154 870464623 /nfs/dbraw/zinc/46/46/23/870464623.db2.gz OCAXWAKISTWHOF-KRWDZBQOSA-N 1 0 391.475 3.573 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)C(C)C ZINC000248827105 870653304 /nfs/dbraw/zinc/65/33/04/870653304.db2.gz MBPRCAWHLUKGAQ-BHDDXSALSA-N 1 0 385.552 3.905 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000538823598 870681657 /nfs/dbraw/zinc/68/16/57/870681657.db2.gz NBZZPHUVDBJDEX-GGAORHGYSA-N 1 0 389.499 3.628 20 30 GHEDRO CN1c2ccccc2[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1=O ZINC000540181178 870698715 /nfs/dbraw/zinc/69/87/15/870698715.db2.gz NASRKRUBNATEKF-QLOJAFMTSA-N 1 0 375.472 3.946 20 30 GHEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000248962899 870704369 /nfs/dbraw/zinc/70/43/69/870704369.db2.gz GTRGNURDBACJOT-FUHIMQAGSA-N 1 0 389.565 3.984 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H](C#N)C3)C2=O)ccc1Br ZINC000248990129 870715991 /nfs/dbraw/zinc/71/59/91/870715991.db2.gz NDLWKGXIHYGHNC-KEYYUXOJSA-N 1 0 376.298 3.535 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000249090574 870751289 /nfs/dbraw/zinc/75/12/89/870751289.db2.gz CZIXCKQMKNNRAD-IEZWGBDMSA-N 1 0 381.442 3.986 20 30 GHEDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000128061162 870787492 /nfs/dbraw/zinc/78/74/92/870787492.db2.gz WAHNGUARKSCHAF-IAGOWNOFSA-N 1 0 395.503 3.663 20 30 GHEDRO Cc1cccc([C@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000525493310 870821485 /nfs/dbraw/zinc/82/14/85/870821485.db2.gz WVGZISMGRRHPHM-HXUWFJFHSA-N 1 0 390.531 3.888 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](C)C1 ZINC000525545671 870898151 /nfs/dbraw/zinc/89/81/51/870898151.db2.gz OHNCAUPCHSAAES-OXQOHEQNSA-N 1 0 378.476 3.548 20 30 GHEDRO CCc1ccc([C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000181388313 870959065 /nfs/dbraw/zinc/95/90/65/870959065.db2.gz BAEKXIZSZUDYND-RUZDIDTESA-N 1 0 390.575 3.978 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(OC)c2)cc1 ZINC000540332262 871039976 /nfs/dbraw/zinc/03/99/76/871039976.db2.gz FNLPXHXGLRVQGU-KRWDZBQOSA-N 1 0 381.476 3.691 20 30 GHEDRO C#CC[C@H](NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)c1ccccc1 ZINC000766545853 871042760 /nfs/dbraw/zinc/04/27/60/871042760.db2.gz QYKLJWFHGBQJQV-QFIPXVFZSA-N 1 0 385.552 3.531 20 30 GHEDRO CO/N=C/c1cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)cc(F)c1F ZINC001168999266 871086121 /nfs/dbraw/zinc/08/61/21/871086121.db2.gz IIBPQVGDYIGMMI-AUEPDCJTSA-N 1 0 378.810 3.829 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c(C)o1 ZINC000093009344 882474808 /nfs/dbraw/zinc/47/48/08/882474808.db2.gz YUWMNXYTVOXEDZ-INIZCTEOSA-N 1 0 381.476 3.582 20 30 GHEDRO C=CCN(CCc1nc2ccccc2n1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001193414535 871096627 /nfs/dbraw/zinc/09/66/27/871096627.db2.gz YJHAXBAVVUJQNS-QFIPXVFZSA-N 1 0 391.515 3.778 20 30 GHEDRO C[NH+](C)Cc1c[nH]c2nccc(NC3=C(Cl)C(=O)c4ccccc4C3=O)c12 ZINC001169047839 871129328 /nfs/dbraw/zinc/12/93/28/871129328.db2.gz FIFBCZSEUWXXOW-UHFFFAOYSA-N 1 0 380.835 3.566 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccnc(C(F)F)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001193663209 871222481 /nfs/dbraw/zinc/22/24/81/871222481.db2.gz VJFKJUSPMJRPPE-IYARVYRRSA-N 1 0 384.430 3.803 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001193695013 871228844 /nfs/dbraw/zinc/22/88/44/871228844.db2.gz PTNSYWWAAABGQQ-LJQANCHMSA-N 1 0 384.426 3.756 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000461916668 871265902 /nfs/dbraw/zinc/26/59/02/871265902.db2.gz NVYUQXSLMDGOGE-GOSISDBHSA-N 1 0 379.504 3.699 20 30 GHEDRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)COCc1ccccc1 ZINC000181606791 871271092 /nfs/dbraw/zinc/27/10/92/871271092.db2.gz PPNKOGVJICETFC-FQEVSTJZSA-N 1 0 377.532 3.965 20 30 GHEDRO N#Cc1c2c(cn(C[NH2+]C3(c4ccc(Br)cc4)CCC3)c1=O)CCC2 ZINC000766613602 871302667 /nfs/dbraw/zinc/30/26/67/871302667.db2.gz XPPGUJPFNYOAOQ-UHFFFAOYSA-N 1 0 398.304 3.598 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2nc(C)c(C#N)cc2Cl)[C@@H]1c1cnn(C)c1 ZINC000461937910 871316608 /nfs/dbraw/zinc/31/66/08/871316608.db2.gz VVQIKQVFIIZVKM-HNAYVOBHSA-N 1 0 386.931 3.558 20 30 GHEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000181702906 871400933 /nfs/dbraw/zinc/40/09/33/871400933.db2.gz SSTAATHOTFCGPK-HXUWFJFHSA-N 1 0 386.517 3.718 20 30 GHEDRO C[C@@](C#N)(Nc1cccc2c1NC(=O)C21CC[NH2+]CC1)c1ccccc1Cl ZINC001169391108 871463558 /nfs/dbraw/zinc/46/35/58/871463558.db2.gz QTWYDJDDFXDTMN-FQEVSTJZSA-N 1 0 380.879 3.764 20 30 GHEDRO N#Cc1cncc(C(=O)N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001194108837 871480603 /nfs/dbraw/zinc/48/06/03/871480603.db2.gz VEESDEYKRJWSJY-DEOSSOPVSA-N 1 0 396.494 3.870 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(N2CCCC2)c1 ZINC000447388287 871518236 /nfs/dbraw/zinc/51/82/36/871518236.db2.gz WPRVKTIIBGNLGJ-DNVCBOLYSA-N 1 0 380.517 3.676 20 30 GHEDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000447401581 871538029 /nfs/dbraw/zinc/53/80/29/871538029.db2.gz AELVHAGVPBFNDL-HXUWFJFHSA-N 1 0 377.916 3.868 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)c1 ZINC000525863831 871598085 /nfs/dbraw/zinc/59/80/85/871598085.db2.gz QYGXECDIQKMGPE-UHFFFAOYSA-N 1 0 391.500 3.861 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC001169554655 871633551 /nfs/dbraw/zinc/63/35/51/871633551.db2.gz MAGGDRNLVDXMFL-UNMCSNQZSA-N 1 0 389.499 3.707 20 30 GHEDRO COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)c(F)c1 ZINC000539318983 871680078 /nfs/dbraw/zinc/68/00/78/871680078.db2.gz BHCSWCDMPFHKBI-UZLBHIALSA-N 1 0 389.421 3.922 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cnc4ccccc4c3)CC2)cc1 ZINC000525923682 871703267 /nfs/dbraw/zinc/70/32/67/871703267.db2.gz YKGNUDVIGHFLCT-UHFFFAOYSA-N 1 0 398.510 3.774 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000539334377 871719427 /nfs/dbraw/zinc/71/94/27/871719427.db2.gz UOKGBJPTLGFRIE-MRXNPFEDSA-N 1 0 376.382 3.839 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000182028146 871755671 /nfs/dbraw/zinc/75/56/71/871755671.db2.gz MNENURNVDAHRBJ-YOEHRIQHSA-N 1 0 378.394 3.959 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccc(C#N)cc1 ZINC000447539030 871807412 /nfs/dbraw/zinc/80/74/12/871807412.db2.gz FHFSMMIWCILMSY-GOSISDBHSA-N 1 0 391.562 3.891 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000133889886 882551319 /nfs/dbraw/zinc/55/13/19/882551319.db2.gz LGLIVZTWFUYJJR-LJQANCHMSA-N 1 0 389.293 3.955 20 30 GHEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000794027339 882557614 /nfs/dbraw/zinc/55/76/14/882557614.db2.gz YDVVSGRZGGSVPX-FGZHOGPDSA-N 1 0 394.519 3.556 20 30 GHEDRO CCCCCCCCOC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001194740223 871899676 /nfs/dbraw/zinc/89/96/76/871899676.db2.gz FFRGNJAROQJZOW-NHCUHLMSSA-N 1 0 389.540 3.854 20 30 GHEDRO CC[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000618797725 872004635 /nfs/dbraw/zinc/00/46/35/872004635.db2.gz QMIORVUMBALZFJ-GGAORHGYSA-N 1 0 388.515 3.682 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618821498 872029463 /nfs/dbraw/zinc/02/94/63/872029463.db2.gz ZYYVTSBSNHCVIL-MQNAVGNWSA-N 1 0 388.515 3.755 20 30 GHEDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)c1ccc(C#N)cc1 ZINC000552097946 872052366 /nfs/dbraw/zinc/05/23/66/872052366.db2.gz SANIAOAEWVJITL-SFHVURJKSA-N 1 0 391.924 3.539 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000463579652 872065106 /nfs/dbraw/zinc/06/51/06/872065106.db2.gz YOKLOMPCYKWPOJ-PKOBYXMFSA-N 1 0 380.488 3.653 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618849023 872071755 /nfs/dbraw/zinc/07/17/55/872071755.db2.gz LIIYZGUJERGJJC-REWPJTCUSA-N 1 0 388.515 3.709 20 30 GHEDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000526136122 872166236 /nfs/dbraw/zinc/16/62/36/872166236.db2.gz LODRCGIARUTLNQ-JTHBVZDNSA-N 1 0 389.499 3.788 20 30 GHEDRO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)CC2 ZINC000526122238 872184694 /nfs/dbraw/zinc/18/46/94/872184694.db2.gz GMHUNTKTVUNJHO-KBWCOIMZSA-N 1 0 377.488 3.799 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000595443243 872260363 /nfs/dbraw/zinc/26/03/63/872260363.db2.gz DRBXNCREBHGLFS-QFIPXVFZSA-N 1 0 388.515 3.660 20 30 GHEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001195257815 872286758 /nfs/dbraw/zinc/28/67/58/872286758.db2.gz JTTHYULJGUIUAZ-OAQYLSRUSA-N 1 0 399.498 3.951 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1OC(F)F ZINC000030633252 872348870 /nfs/dbraw/zinc/34/88/70/872348870.db2.gz QFCYDGYJTIMLFZ-UHFFFAOYSA-N 1 0 375.419 3.936 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2ccc(C)cc2)cn1 ZINC000101900380 872354790 /nfs/dbraw/zinc/35/47/90/872354790.db2.gz UPKNDAVVPJKZJK-UHFFFAOYSA-O 1 0 385.538 3.920 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001195429073 872417993 /nfs/dbraw/zinc/41/79/93/872417993.db2.gz ZKBBDAWYEUWRII-QHCPKHFHSA-N 1 0 390.531 3.872 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)NC1(C#N)CCC1 ZINC000527053221 872562107 /nfs/dbraw/zinc/56/21/07/872562107.db2.gz ABGUUQUMMZVGHV-IAOVAPTHSA-N 1 0 379.426 3.882 20 30 GHEDRO N#Cc1sc(NCCCC[NH+]2CCN(c3ccccc3)CC2)nc1Cl ZINC000804357395 872678136 /nfs/dbraw/zinc/67/81/36/872678136.db2.gz GQLMMOTYHXGBDK-UHFFFAOYSA-N 1 0 375.929 3.682 20 30 GHEDRO N#CC1(NC(=O)CN(Cc2ccccc2OC(F)(F)F)C2CCCC2)CCC1 ZINC000527136058 872751083 /nfs/dbraw/zinc/75/10/83/872751083.db2.gz VONFQEGIZIJCBA-UHFFFAOYSA-N 1 0 395.425 3.892 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000619653994 872850301 /nfs/dbraw/zinc/85/03/01/872850301.db2.gz OSAJVYMZEKOHFR-KRWDZBQOSA-N 1 0 375.394 3.954 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(N(C)C)CC2)cc1OCC ZINC000418114688 872920593 /nfs/dbraw/zinc/92/05/93/872920593.db2.gz MIUVHDUAKRPVMV-UHFFFAOYSA-N 1 0 383.330 3.596 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000767899756 872945566 /nfs/dbraw/zinc/94/55/66/872945566.db2.gz MWDIEFSFEBNIGV-DEOSSOPVSA-N 1 0 377.532 3.604 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619759049 872971812 /nfs/dbraw/zinc/97/18/12/872971812.db2.gz HTMSUJQVVDLIRO-KKSFZXQISA-N 1 0 396.922 3.921 20 30 GHEDRO CC(C)(C#N)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000619821156 873052106 /nfs/dbraw/zinc/05/21/06/873052106.db2.gz WIBPGYVQXQBWHC-LEWJYISDSA-N 1 0 376.504 3.504 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)ccc1Cl ZINC000470364457 873129572 /nfs/dbraw/zinc/12/95/72/873129572.db2.gz LMKDQAQZOKZFTG-NRFANRHFSA-N 1 0 391.943 3.816 20 30 GHEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000191977482 882690443 /nfs/dbraw/zinc/69/04/43/882690443.db2.gz HDKNOZXAMBHTDX-UHFFFAOYSA-N 1 0 383.517 3.546 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001196554268 873208718 /nfs/dbraw/zinc/20/87/18/873208718.db2.gz QGYMGDGHRRMGOP-JBACZVJFSA-N 1 0 395.572 3.610 20 30 GHEDRO CCOCc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)ccc1OC ZINC000527811272 873597095 /nfs/dbraw/zinc/59/70/95/873597095.db2.gz LRGUVXQDHJCEJK-UHFFFAOYSA-N 1 0 380.488 3.899 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1)C1CCCCC1 ZINC000769145212 873838590 /nfs/dbraw/zinc/83/85/90/873838590.db2.gz FCACDFINZDVSQR-GOSISDBHSA-N 1 0 386.536 3.709 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(OC(F)F)ccc1F ZINC000528032987 873897821 /nfs/dbraw/zinc/89/78/21/873897821.db2.gz PWXQKWSGICUYLD-UHFFFAOYSA-N 1 0 391.393 3.503 20 30 GHEDRO CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(O)c1 ZINC000769231234 873907832 /nfs/dbraw/zinc/90/78/32/873907832.db2.gz AQOVGXSWHKAMBO-UHFFFAOYSA-N 1 0 379.460 3.513 20 30 GHEDRO C[C@H]1C[C@@]1(C#N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000448813942 873985162 /nfs/dbraw/zinc/98/51/62/873985162.db2.gz VIVGZIILLJNTPH-LIRRHRJNSA-N 1 0 379.426 3.678 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000528152376 874097002 /nfs/dbraw/zinc/09/70/02/874097002.db2.gz ZFXXOGJIMBHCCX-HXUWFJFHSA-N 1 0 396.535 3.518 20 30 GHEDRO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]CCOCC(F)(F)C(F)(F)F)cc1F ZINC000192135433 882793956 /nfs/dbraw/zinc/79/39/56/882793956.db2.gz XTKUDVKUYRFWCM-OLZOCXBDSA-N 1 0 375.284 3.599 20 30 GHEDRO C=CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccncc1 ZINC000769519907 874126546 /nfs/dbraw/zinc/12/65/46/874126546.db2.gz SKARMBOWYLVBHP-UHOSZYNNSA-N 1 0 375.513 3.703 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000769529424 874136633 /nfs/dbraw/zinc/13/66/33/874136633.db2.gz AYSJWRYEADNUSY-QFBILLFUSA-N 1 0 385.508 3.951 20 30 GHEDRO C[C@@H](C#N)c1ccc(NC(=O)c2ccc(CN(C)CCC[NH+](C)C)cc2)cc1 ZINC001198021934 874184026 /nfs/dbraw/zinc/18/40/26/874184026.db2.gz PMXFEOBIMFMAOY-SFHVURJKSA-N 1 0 378.520 3.949 20 30 GHEDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)ccc1OCc1cccc(C#N)c1 ZINC000595784422 874240893 /nfs/dbraw/zinc/24/08/93/874240893.db2.gz VKNVPVJZZATVTB-VXKWHMMOSA-N 1 0 378.472 3.539 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CC1 ZINC000769912084 874337716 /nfs/dbraw/zinc/33/77/16/874337716.db2.gz SHYRCWROFWFGSB-UHFFFAOYSA-N 1 0 395.572 3.995 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775834215 874342215 /nfs/dbraw/zinc/34/22/15/874342215.db2.gz LWCUYQVLHLZMST-SFHVURJKSA-N 1 0 394.519 3.749 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000770051061 874426706 /nfs/dbraw/zinc/42/67/06/874426706.db2.gz SBJXRSZPIBCSPZ-IERDGZPVSA-N 1 0 382.504 3.854 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000528347669 874443502 /nfs/dbraw/zinc/44/35/02/874443502.db2.gz GKJRNHAWNWFKJD-GOSISDBHSA-N 1 0 393.512 3.787 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)cc1 ZINC000464777923 874472638 /nfs/dbraw/zinc/47/26/38/874472638.db2.gz SFFKDSXZDTZHJU-UYAOXDASSA-N 1 0 389.565 3.938 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001198551129 874497603 /nfs/dbraw/zinc/49/76/03/874497603.db2.gz BULOLURXMOVNAS-QRVBRYPASA-N 1 0 387.499 3.599 20 30 GHEDRO CN(C)c1ccc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000775881452 874516081 /nfs/dbraw/zinc/51/60/81/874516081.db2.gz FJUGFXJDGMWXHS-QHCPKHFHSA-N 1 0 388.515 3.609 20 30 GHEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508879843 874630715 /nfs/dbraw/zinc/63/07/15/874630715.db2.gz INAIOPGTXAKHOH-UHFFFAOYSA-N 1 0 391.972 3.940 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000449401211 874819036 /nfs/dbraw/zinc/81/90/36/874819036.db2.gz LXHOEYXUMFCTSC-UHFFFAOYSA-N 1 0 387.886 3.984 20 30 GHEDRO COc1ccc(C(C)(C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000528677124 874874997 /nfs/dbraw/zinc/87/49/97/874874997.db2.gz YPDAZGXUZRTLOE-IBGZPJMESA-N 1 0 381.451 3.726 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001199260175 874878513 /nfs/dbraw/zinc/87/85/13/874878513.db2.gz ATPOKFWHKUBKKV-UHFFFAOYSA-N 1 0 384.524 3.931 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@@H](O)Cc3ccc4ccccc4c3)CCOCC2)cc1 ZINC000528777564 875049642 /nfs/dbraw/zinc/04/96/42/875049642.db2.gz CCTFOXQLAACYPK-DEOSSOPVSA-N 1 0 386.495 3.910 20 30 GHEDRO Cc1cc(Cl)ccc1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779971 875052053 /nfs/dbraw/zinc/05/20/53/875052053.db2.gz ZYSRDJKDYVTSLQ-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)cc3-n3cncn3)CCOCC2)cc1 ZINC000528778936 875052712 /nfs/dbraw/zinc/05/27/12/875052712.db2.gz PNJZGGFXEPJQCN-UHFFFAOYSA-N 1 0 393.878 3.588 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000858152915 882891321 /nfs/dbraw/zinc/89/13/21/882891321.db2.gz DLLCYKHDTPNQDC-OAQYLSRUSA-N 1 0 391.515 3.798 20 30 GHEDRO Cc1ccc(C[C@@H](CO)C[NH2+]C2CCC(C)(C#N)CC2)cc1Br ZINC000449597550 875101309 /nfs/dbraw/zinc/10/13/09/875101309.db2.gz FQEIEVTZFCQGQL-LRYGQEGESA-N 1 0 379.342 3.971 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c(F)c1 ZINC000449604256 875129504 /nfs/dbraw/zinc/12/95/04/875129504.db2.gz WXZPHHGYALUCQH-ZDUSSCGKSA-N 1 0 395.247 3.540 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000449672721 875220095 /nfs/dbraw/zinc/22/00/95/875220095.db2.gz NAUPLZCJGOJGBC-FXAWDEMLSA-N 1 0 390.405 3.882 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000465194639 875261030 /nfs/dbraw/zinc/26/10/30/875261030.db2.gz PVHXQKPPVVUFCF-GOSISDBHSA-N 1 0 377.488 3.850 20 30 GHEDRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)cc2)n1 ZINC000105491404 875312955 /nfs/dbraw/zinc/31/29/55/875312955.db2.gz UDCLZZDOHOFWJE-MRXNPFEDSA-N 1 0 376.460 3.922 20 30 GHEDRO CCOc1cccc(/C=C/C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000858219084 882950635 /nfs/dbraw/zinc/95/06/35/882950635.db2.gz YPSMELTXJBDQMK-VAWYXSNFSA-N 1 0 389.499 3.705 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000106040646 875741221 /nfs/dbraw/zinc/74/12/21/875741221.db2.gz ZECKVPLMASFIJU-DKRLNXSXSA-N 1 0 384.520 3.579 20 30 GHEDRO CCCCCCCCCCC[N@@H+]1CCCn2c(CN(C)C(C)=O)nnc2C1 ZINC001201631689 875774565 /nfs/dbraw/zinc/77/45/65/875774565.db2.gz XYYADMKZZXRBLI-UHFFFAOYSA-N 1 0 377.577 3.993 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cnn(-c2ccccc2F)c1)C(C)C ZINC001201635951 875776897 /nfs/dbraw/zinc/77/68/97/875776897.db2.gz JRYJKAKNWZUCNY-FQEVSTJZSA-N 1 0 385.487 3.832 20 30 GHEDRO CCCCCCC[NH+]1CCC2(C[C@H](COC)N(C(=O)c3cccn3C)C2)CC1 ZINC001201777587 875875215 /nfs/dbraw/zinc/87/52/15/875875215.db2.gz ZSYSGBIHNOPZMW-HXUWFJFHSA-N 1 0 389.584 3.939 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001201836876 875898460 /nfs/dbraw/zinc/89/84/60/875898460.db2.gz HXWCESIMGBRABM-HXUWFJFHSA-N 1 0 388.618 3.547 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2cc(OC)c(OC)cc2Br)CC1 ZINC000106246367 875915594 /nfs/dbraw/zinc/91/55/94/875915594.db2.gz ZVFFQGBEBIPZBZ-UHFFFAOYSA-N 1 0 383.330 3.596 20 30 GHEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Br)c(OCC)c(OC)c2)CC1 ZINC000106245586 875915718 /nfs/dbraw/zinc/91/57/18/875915718.db2.gz UJRCFGJBNAKFJL-UHFFFAOYSA-N 1 0 397.357 3.987 20 30 GHEDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000151798250 875926930 /nfs/dbraw/zinc/92/69/30/875926930.db2.gz WCTVJTIMYHUHII-UONOGXRCSA-N 1 0 385.489 3.783 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000106340902 875972230 /nfs/dbraw/zinc/97/22/30/875972230.db2.gz PEWDZZKGOHHPME-UHFFFAOYSA-N 1 0 383.492 3.738 20 30 GHEDRO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000443865154 876095355 /nfs/dbraw/zinc/09/53/55/876095355.db2.gz AJVNCICXWNQKDR-COPCDDAFSA-N 1 0 385.552 3.822 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cccc(C)c2C)cc1 ZINC000151911477 876103328 /nfs/dbraw/zinc/10/33/28/876103328.db2.gz ILTUZVIVWGKSEC-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)cc1 ZINC001202466156 876218793 /nfs/dbraw/zinc/21/87/93/876218793.db2.gz JGEWWCLVOBAQGI-UHFFFAOYSA-N 1 0 388.467 3.971 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1OC ZINC001202428740 876220446 /nfs/dbraw/zinc/22/04/46/876220446.db2.gz XLRGZSGHAZHUTJ-SJORKVTESA-N 1 0 380.488 3.716 20 30 GHEDRO C=CCc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c(OC)c1 ZINC000030556433 876291677 /nfs/dbraw/zinc/29/16/77/876291677.db2.gz ZXXMCKQPOJLVFQ-UHFFFAOYSA-N 1 0 394.515 3.715 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000450335195 876304024 /nfs/dbraw/zinc/30/40/24/876304024.db2.gz WTLGKHAQICBKBC-GJZGRUSLSA-N 1 0 377.330 3.807 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000492148471 876322958 /nfs/dbraw/zinc/32/29/58/876322958.db2.gz XETBMDRGNJJGOV-UHFFFAOYSA-N 1 0 396.506 3.858 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCOC2CCOCC2)cc1 ZINC000304357385 876348109 /nfs/dbraw/zinc/34/81/09/876348109.db2.gz XAPZMHGXEVDBQO-UHFFFAOYSA-N 1 0 381.520 3.948 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]Cc3nc(C#N)cs3)C(C)(C)[C@@H]21 ZINC000858324313 883026765 /nfs/dbraw/zinc/02/67/65/883026765.db2.gz VGBXDHLEHXWWGA-FVQBIDKESA-N 1 0 376.526 3.528 20 30 GHEDRO C#CC[C@H](COC)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000858335608 883033755 /nfs/dbraw/zinc/03/37/55/883033755.db2.gz ZZFPNGYMRHKOCL-DGCLKSJQSA-N 1 0 376.806 3.704 20 30 GHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000609353888 883043701 /nfs/dbraw/zinc/04/37/01/883043701.db2.gz YSPFKANBZGXFHW-HOTGVXAUSA-N 1 0 397.548 3.990 20 30 GHEDRO COCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1C#N ZINC000529817015 876710325 /nfs/dbraw/zinc/71/03/25/876710325.db2.gz UJUJKSYBUFGVAO-KRWDZBQOSA-N 1 0 381.451 3.694 20 30 GHEDRO COC[C@@]1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000850296889 876792515 /nfs/dbraw/zinc/79/25/15/876792515.db2.gz ZDKGMOIUVNFTJP-QHCPKHFHSA-N 1 0 399.535 3.747 20 30 GHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1nc(C(C)(C)C)ccc1C#N ZINC000613426422 883068389 /nfs/dbraw/zinc/06/83/89/883068389.db2.gz BNERHDYULBQIBP-UHFFFAOYSA-N 1 0 397.611 3.883 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)O2 ZINC000850386254 876872289 /nfs/dbraw/zinc/87/22/89/876872289.db2.gz OUFLOBMRCBBZMB-IBGZPJMESA-N 1 0 399.535 3.746 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)c(F)c1 ZINC000850432852 876916320 /nfs/dbraw/zinc/91/63/20/876916320.db2.gz GCWLHQDDHYPUOS-GOSISDBHSA-N 1 0 391.368 3.823 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000850502097 876976331 /nfs/dbraw/zinc/97/63/31/876976331.db2.gz KKXPWWUNGKZHGC-RCCFBDPRSA-N 1 0 384.586 3.690 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787029462 877105578 /nfs/dbraw/zinc/10/55/78/877105578.db2.gz XKYRHZMQPUHOTC-KPZWWZAWSA-N 1 0 376.428 3.893 20 30 GHEDRO Clc1ccc(-c2noc(N=NC3CCOC[C@H]3C[NH+]3CCCCC3)n2)cc1 ZINC000787155688 877202699 /nfs/dbraw/zinc/20/26/99/877202699.db2.gz UQMUWHLNEWVBHQ-OAHLLOKOSA-N 1 0 389.887 3.680 20 30 GHEDRO N#C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000174736598 877213224 /nfs/dbraw/zinc/21/32/24/877213224.db2.gz SJBVUGYHDANEJV-QGZVFWFLSA-N 1 0 396.318 3.709 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1Cl ZINC000609959775 877216117 /nfs/dbraw/zinc/21/61/17/877216117.db2.gz FNYWZQGDASMZJW-UHFFFAOYSA-N 1 0 389.908 3.651 20 30 GHEDRO CC(C)(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000858451440 883107697 /nfs/dbraw/zinc/10/76/97/883107697.db2.gz SDXOUYKUBQJYMH-UHFFFAOYSA-N 1 0 375.516 3.659 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000609977893 877239861 /nfs/dbraw/zinc/23/98/61/877239861.db2.gz AVDWZOOXTNSZKS-CNNODRBYSA-N 1 0 391.515 3.837 20 30 GHEDRO COc1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000746682420 877408421 /nfs/dbraw/zinc/40/84/21/877408421.db2.gz VTXQHPHSKYTOTC-UHFFFAOYSA-N 1 0 384.436 3.524 20 30 GHEDRO N#CC1(CC(=O)Oc2cccc(C[N@@H+]3CCc4ccccc4C3)c2)CCOCC1 ZINC000851105787 877410225 /nfs/dbraw/zinc/41/02/25/877410225.db2.gz PVJLKCYLEVACQD-UHFFFAOYSA-N 1 0 390.483 3.861 20 30 GHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1(C)C ZINC000610144664 877428751 /nfs/dbraw/zinc/42/87/51/877428751.db2.gz QFIUQDTUEVHFLM-MSOLQXFVSA-N 1 0 377.916 3.722 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@@H]1C ZINC000610133541 877450092 /nfs/dbraw/zinc/45/00/92/877450092.db2.gz ILBANGVYTWLHTR-JXFKEZNVSA-N 1 0 399.583 3.835 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000763463109 877509915 /nfs/dbraw/zinc/50/99/15/877509915.db2.gz AKBWHQUTGSZTQV-UHFFFAOYSA-N 1 0 383.872 3.962 20 30 GHEDRO C=C(C)COc1cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1OC ZINC000508612962 877546699 /nfs/dbraw/zinc/54/66/99/877546699.db2.gz CEALDLARILHNDE-UHFFFAOYSA-N 1 0 380.488 3.914 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000152290584 877609447 /nfs/dbraw/zinc/60/94/47/877609447.db2.gz NLRFRGDHTGCXMB-UHFFFAOYSA-N 1 0 386.503 3.522 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127375486 877777044 /nfs/dbraw/zinc/77/70/44/877777044.db2.gz FUZXREQXOBWLFK-QFIPXVFZSA-N 1 0 378.451 3.685 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1nnc(-c2ccccn2)s1 ZINC000788031124 877793721 /nfs/dbraw/zinc/79/37/21/877793721.db2.gz VQTLKITWAUFBNL-OAHLLOKOSA-N 1 0 378.505 3.910 20 30 GHEDRO COc1ccc([C@H](CNc2c(C#N)cnc3c(C)cccc32)[NH+](C)C)cc1OC ZINC000615487996 877810692 /nfs/dbraw/zinc/81/06/92/877810692.db2.gz UKHQOWUTCOTCCB-IBGZPJMESA-N 1 0 390.487 3.569 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@](F)(C#N)C2)cc1 ZINC000615531768 877822127 /nfs/dbraw/zinc/82/21/27/877822127.db2.gz PPNNBEIJBNXYBC-JOCHJYFZSA-N 1 0 380.467 3.562 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000451477674 877991434 /nfs/dbraw/zinc/99/14/34/877991434.db2.gz IDSRZYWOMVQDOA-KFKAGJAMSA-N 1 0 387.549 3.814 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H](O)c3cccc(OCc4ccccc4)c3)n2c1 ZINC000152395571 878000626 /nfs/dbraw/zinc/00/06/26/878000626.db2.gz QKKQUBUYBLZLCV-QHCPKHFHSA-N 1 0 398.466 3.608 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)cc1 ZINC000451498806 878049577 /nfs/dbraw/zinc/04/95/77/878049577.db2.gz NUAOKDJZTKTGNM-VQTJNVASSA-N 1 0 387.524 3.514 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000615763253 878091523 /nfs/dbraw/zinc/09/15/23/878091523.db2.gz IRPJYNPZRSCQCC-FGZHOGPDSA-N 1 0 395.453 3.995 20 30 GHEDRO Cc1cccc(OCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000788508294 878115966 /nfs/dbraw/zinc/11/59/66/878115966.db2.gz VWAFNEPDARCSIQ-UHFFFAOYSA-N 1 0 375.476 3.726 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000451546710 878120273 /nfs/dbraw/zinc/12/02/73/878120273.db2.gz SRJPMOBBECVNFH-INIZCTEOSA-N 1 0 398.304 3.573 20 30 GHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cccc(C#N)c1Br)c1ccco1 ZINC000451673091 878292742 /nfs/dbraw/zinc/29/27/42/878292742.db2.gz KEXFDOQYGXSSFA-IUODEOHRSA-N 1 0 390.281 3.773 20 30 GHEDRO COc1ccc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)cc1C#N ZINC000746762690 878332115 /nfs/dbraw/zinc/33/21/15/878332115.db2.gz YHCGAEVCCSYUFP-UHFFFAOYSA-N 1 0 379.382 3.928 20 30 GHEDRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCCC#N)cc1F ZINC000852489818 878373288 /nfs/dbraw/zinc/37/32/88/878373288.db2.gz JYGUIHSHOWGLDO-WMZOPIPTSA-N 1 0 391.487 3.821 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728669 878553812 /nfs/dbraw/zinc/55/38/12/878553812.db2.gz FTROCGSJHCOSFB-KPOBHBOGSA-N 1 0 385.895 3.886 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000530835498 878575983 /nfs/dbraw/zinc/57/59/83/878575983.db2.gz BLXRSYSGLRBZJL-UHFFFAOYSA-N 1 0 386.883 3.835 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)CN2CC3(CCC3)[C@H]2c2ccco2)c(OC)c1 ZINC000451845786 878597055 /nfs/dbraw/zinc/59/70/55/878597055.db2.gz VNEFYYUZOSMREE-PGRDOPGGSA-N 1 0 383.488 3.984 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068478549 878607729 /nfs/dbraw/zinc/60/77/29/878607729.db2.gz CDDQPMNMYYCOGQ-LJQANCHMSA-N 1 0 378.520 3.724 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000852823296 878622868 /nfs/dbraw/zinc/62/28/68/878622868.db2.gz FDCOOCYOKBLYST-OAQYLSRUSA-N 1 0 397.316 3.658 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530857109 878628914 /nfs/dbraw/zinc/62/89/14/878628914.db2.gz MJDLHYAUPOSIGY-XMMPIXPASA-N 1 0 383.499 3.994 20 30 GHEDRO N#Cc1cccc(CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000530913850 878762499 /nfs/dbraw/zinc/76/24/99/878762499.db2.gz IOKQOXRVSRVZGY-UHFFFAOYSA-N 1 0 389.543 3.952 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C[NH+]1CCCC1 ZINC000616359340 878787017 /nfs/dbraw/zinc/78/70/17/878787017.db2.gz ADTOBTHVKKAOCM-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO N#Cc1c(F)cccc1C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452017326 878811859 /nfs/dbraw/zinc/81/18/59/878811859.db2.gz ARFNLRZLEMTYDI-PKOBYXMFSA-N 1 0 377.385 3.817 20 30 GHEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460954306 878898939 /nfs/dbraw/zinc/89/89/39/878898939.db2.gz VOQWRPYDLYPBGT-SFHVURJKSA-N 1 0 385.581 3.764 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000795688433 912397494 /nfs/dbraw/zinc/39/74/94/912397494.db2.gz MLOMMAIDSSRRBU-KRWDZBQOSA-N 1 0 399.438 3.699 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC000597394217 878962529 /nfs/dbraw/zinc/96/25/29/878962529.db2.gz NELLOQGWIXMJKZ-VGOFRKELSA-N 1 0 395.453 3.963 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(COc3cccc(C#N)c3)n2)cc1 ZINC000761548555 879285217 /nfs/dbraw/zinc/28/52/17/879285217.db2.gz YSYUYYHTHHQZOS-UHFFFAOYSA-N 1 0 392.459 3.908 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)ccc1OC ZINC000180809709 879366934 /nfs/dbraw/zinc/36/69/34/879366934.db2.gz FHEFHMJIQMMSLK-PKOBYXMFSA-N 1 0 387.524 3.647 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000093815516 912449659 /nfs/dbraw/zinc/44/96/59/912449659.db2.gz KFIVWQPAIUTTOJ-KUHUBIRLSA-N 1 0 389.293 3.905 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452452561 879465281 /nfs/dbraw/zinc/46/52/81/879465281.db2.gz OAUGYYLCZMFZGJ-OAQYLSRUSA-N 1 0 376.504 3.649 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000246374562 879474196 /nfs/dbraw/zinc/47/41/96/879474196.db2.gz GZYFKQVGHCQNRK-FXAWDEMLSA-N 1 0 390.959 3.557 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854106668 879541494 /nfs/dbraw/zinc/54/14/94/879541494.db2.gz AJQBMPDSQKUESH-UHFFFAOYSA-N 1 0 394.494 3.663 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000285857523 912474703 /nfs/dbraw/zinc/47/47/03/912474703.db2.gz XLTHTINCSHCQGE-QAPCUYQASA-N 1 0 395.532 3.696 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)cc1OCCCC#N ZINC000181090369 879686876 /nfs/dbraw/zinc/68/68/76/879686876.db2.gz HYGGMKWNBPOMER-IMYXXEESSA-N 1 0 388.508 3.789 20 30 GHEDRO C=CC[C@]1(C(=O)NCC2CC[NH+](CCC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790547371 879804819 /nfs/dbraw/zinc/80/48/19/879804819.db2.gz VJASJGMZYMVTFW-JOCHJYFZSA-N 1 0 393.572 3.570 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)CC2)cc1 ZINC000461455965 879867168 /nfs/dbraw/zinc/86/71/68/879867168.db2.gz MNYGYUQYCIKLOB-YADHBBJMSA-N 1 0 385.511 3.570 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000776748186 879885727 /nfs/dbraw/zinc/88/57/27/879885727.db2.gz YWWWJSUKRLYHDX-NRFANRHFSA-N 1 0 381.907 3.902 20 30 GHEDRO COc1cccc(NC(=[NH2+])NCCCc2cc3c(cc(OC)cc3OC)[nH]2)c1 ZINC000176492926 879895999 /nfs/dbraw/zinc/89/59/99/879895999.db2.gz IOIJOKVAHPWCIP-UHFFFAOYSA-N 1 0 382.464 3.553 20 30 GHEDRO CC(C)N1C(=O)C[C@@H]([NH2+]CCCSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494211296 879997399 /nfs/dbraw/zinc/99/73/99/879997399.db2.gz FLGKFHVPAGDHDG-SJLPKXTDSA-N 1 0 383.920 3.766 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)CC[N@H+](C)C2CCCCC2)ccc1OC ZINC000791128574 880202541 /nfs/dbraw/zinc/20/25/41/880202541.db2.gz FAYCDCFZSVWGGP-LJQANCHMSA-N 1 0 387.524 3.647 20 30 GHEDRO C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N(C)Cc1ccccc1Br ZINC000162625722 880390072 /nfs/dbraw/zinc/39/00/72/880390072.db2.gz PRYOCDWYGVCVJY-GFCCVEGCSA-N 1 0 393.329 3.865 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C(F)(F)F)cn2)C(=S)NC(C)C)c1 ZINC000286104052 912571076 /nfs/dbraw/zinc/57/10/76/912571076.db2.gz DCDKMNSRBXOUFY-UHFFFAOYSA-O 1 0 382.431 3.633 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]2(C1)OCc1ccccc12)C(C)C ZINC000185156497 880492486 /nfs/dbraw/zinc/49/24/86/880492486.db2.gz DPLABCYCQKXFNY-FYYLOGMGSA-N 1 0 383.536 3.526 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc(OC)c1O ZINC000113334793 880518855 /nfs/dbraw/zinc/51/88/55/880518855.db2.gz INWNVNORYUFRRA-LJQANCHMSA-N 1 0 381.394 3.669 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OC ZINC000113366457 880548142 /nfs/dbraw/zinc/54/81/42/880548142.db2.gz RDIXGWBZWOUVCI-IBGZPJMESA-N 1 0 396.491 3.759 20 30 GHEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000185654099 880647854 /nfs/dbraw/zinc/64/78/54/880647854.db2.gz BFJAFSAFHWNFRI-OAHLLOKOSA-N 1 0 391.389 3.960 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCn1cc(Br)ccc1=O ZINC000453240352 880670274 /nfs/dbraw/zinc/67/02/74/880670274.db2.gz CEDOXQBBBFMOKF-GOSISDBHSA-N 1 0 386.293 3.540 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(CO)CCCC2)cc1OC ZINC000185805668 880699511 /nfs/dbraw/zinc/69/95/11/880699511.db2.gz FMVHWNVZAISXBK-UHFFFAOYSA-N 1 0 384.314 3.665 20 30 GHEDRO C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000186088612 880783817 /nfs/dbraw/zinc/78/38/17/880783817.db2.gz JWMBFMTVDTUIMX-HNNXBMFYSA-N 1 0 379.932 3.952 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531970960 880849135 /nfs/dbraw/zinc/84/91/35/880849135.db2.gz LXDYQCGCTRXRAL-KXBFYZLASA-N 1 0 398.457 3.812 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453443070 880907252 /nfs/dbraw/zinc/90/72/52/880907252.db2.gz QEZGUNHJEMIGGJ-RTWAWAEBSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453427379 880928738 /nfs/dbraw/zinc/92/87/38/880928738.db2.gz WASCPCWSOHGAOX-KRWDZBQOSA-N 1 0 375.561 3.652 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000453462515 880962638 /nfs/dbraw/zinc/96/26/38/880962638.db2.gz HCFSEQUNNRKGIJ-XUVXKRRUSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453464730 880967724 /nfs/dbraw/zinc/96/77/24/880967724.db2.gz LFTLBXYEFZPPNY-IRFCIJBXSA-N 1 0 395.551 3.805 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000453467154 880974818 /nfs/dbraw/zinc/97/48/18/880974818.db2.gz QIOFYLDBVHUHBX-CTNGQTDRSA-N 1 0 395.551 3.807 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000856169299 881005607 /nfs/dbraw/zinc/00/56/07/881005607.db2.gz KNKRBDVBCLKERV-IBGZPJMESA-N 1 0 377.463 3.729 20 30 GHEDRO COc1ccc(COC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1C#N ZINC000747063767 881015537 /nfs/dbraw/zinc/01/55/37/881015537.db2.gz HFLKPSFWFKQLDO-SFHVURJKSA-N 1 0 382.435 3.661 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000856254807 881067781 /nfs/dbraw/zinc/06/77/81/881067781.db2.gz KHCDQHAOWFFJJP-LJQANCHMSA-N 1 0 389.337 3.678 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(Nc3nnc(C)c(C)c3C#N)cc2Cl)CC1 ZINC000919965195 881295594 /nfs/dbraw/zinc/29/55/94/881295594.db2.gz RIRPCJVMPWJARP-UHFFFAOYSA-N 1 0 384.915 3.894 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000556978209 881312821 /nfs/dbraw/zinc/31/28/21/881312821.db2.gz NGXYQWHURJJIPV-HOTGVXAUSA-N 1 0 380.423 3.563 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000476807435 883217673 /nfs/dbraw/zinc/21/76/73/883217673.db2.gz QJQVINYRNBQZDI-WOJBJXKFSA-N 1 0 397.563 3.810 20 30 GHEDRO C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000609499044 883265900 /nfs/dbraw/zinc/26/59/00/883265900.db2.gz MQULXXULMXUDPG-LJQANCHMSA-N 1 0 391.515 3.670 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000609515502 883282283 /nfs/dbraw/zinc/28/22/83/883282283.db2.gz CIKYTLFIEMZVPJ-IAGOWNOFSA-N 1 0 378.476 3.596 20 30 GHEDRO C=C[C@](C)(CC)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475758423 883286503 /nfs/dbraw/zinc/28/65/03/883286503.db2.gz OIZNEJGRXMOIQJ-LJQANCHMSA-N 1 0 394.357 3.737 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+]C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170465139 883312831 /nfs/dbraw/zinc/31/28/31/883312831.db2.gz MDPZVIPTEBAUEM-QZTJIDSGSA-N 1 0 381.561 3.615 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000804903963 883468738 /nfs/dbraw/zinc/46/87/38/883468738.db2.gz RVJYMQJSLRLDQB-IAGOWNOFSA-N 1 0 379.888 3.817 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)c1C ZINC000185602933 883566216 /nfs/dbraw/zinc/56/62/16/883566216.db2.gz IQGKYQMRQAWKAP-UYAOXDASSA-N 1 0 377.488 3.704 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000859119309 883600353 /nfs/dbraw/zinc/60/03/53/883600353.db2.gz BHMJXCRETNBSMR-UHFFFAOYSA-N 1 0 385.508 3.658 20 30 GHEDRO Cc1ccccc1C1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000102578795 883618771 /nfs/dbraw/zinc/61/87/71/883618771.db2.gz DHUHFGVSCRSQJO-UHFFFAOYSA-N 1 0 390.531 3.672 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000477041990 883632758 /nfs/dbraw/zinc/63/27/58/883632758.db2.gz HMMYANBVVYTNKQ-OFNKIYASSA-N 1 0 383.536 3.831 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000609833227 883711504 /nfs/dbraw/zinc/71/15/04/883711504.db2.gz CCRGQBUWJPEXRY-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)s1 ZINC000136208520 883739096 /nfs/dbraw/zinc/73/90/96/883739096.db2.gz PXFKFQSCRTYYRM-UHFFFAOYSA-N 1 0 397.548 3.525 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000859322258 883741167 /nfs/dbraw/zinc/74/11/67/883741167.db2.gz NGRMXTPHTLKKIE-FQEVSTJZSA-N 1 0 387.483 3.726 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc(C#N)c1 ZINC000551374859 883771944 /nfs/dbraw/zinc/77/19/44/883771944.db2.gz PYGDYSJAASLDJX-IQMFZBJNSA-N 1 0 388.471 3.634 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2Nc2ccc(C(C)=O)cc2)CC1 ZINC000859525431 883870316 /nfs/dbraw/zinc/87/03/16/883870316.db2.gz WBHZZMQGSYGBJM-UHFFFAOYSA-N 1 0 389.499 3.850 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000194735038 883914456 /nfs/dbraw/zinc/91/44/56/883914456.db2.gz MWKYPTCOGDDFBF-LJQANCHMSA-N 1 0 380.488 3.512 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1F ZINC000760410768 884055490 /nfs/dbraw/zinc/05/54/90/884055490.db2.gz BIZYJGQUOTWWIO-UHFFFAOYSA-N 1 0 391.450 3.917 20 30 GHEDRO C[C@H](NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000487806425 884106237 /nfs/dbraw/zinc/10/62/37/884106237.db2.gz WLJXZHJTQULKDP-MBSDFSHPSA-N 1 0 376.504 3.973 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@H](O)C(F)(F)F ZINC000498349839 884140674 /nfs/dbraw/zinc/14/06/74/884140674.db2.gz LKYVSZNHLDJTJR-MOPGFXCFSA-N 1 0 378.394 3.929 20 30 GHEDRO N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000805853405 884146284 /nfs/dbraw/zinc/14/62/84/884146284.db2.gz IUESOQCTGLWNEA-INIZCTEOSA-N 1 0 393.459 3.523 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860038010 884280186 /nfs/dbraw/zinc/28/01/86/884280186.db2.gz MMYXUFJDHHQNLW-RNQOJCNYSA-N 1 0 397.519 3.644 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccccc1C ZINC000054425456 884304089 /nfs/dbraw/zinc/30/40/89/884304089.db2.gz BRYMWZSLKZGEBA-UHFFFAOYSA-N 1 0 378.476 3.546 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000127559211 884310156 /nfs/dbraw/zinc/31/01/56/884310156.db2.gz JIMNLXORERFTLZ-ZEQRLZLVSA-N 1 0 399.494 3.639 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+](C)C)cc1 ZINC000498409417 884338563 /nfs/dbraw/zinc/33/85/63/884338563.db2.gz OBOHCMKQPCHVFM-OAQYLSRUSA-N 1 0 398.482 3.587 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193136985 884400113 /nfs/dbraw/zinc/40/01/13/884400113.db2.gz ISZSWZWOTXXXOC-UHFFFAOYSA-N 1 0 389.908 3.585 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)cc(OC)c1OC ZINC000806145728 884404787 /nfs/dbraw/zinc/40/47/87/884404787.db2.gz MKZFWAVKZSUIOS-MRXNPFEDSA-N 1 0 378.476 3.864 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(OC(F)(F)F)c3)CC2)nc1 ZINC000102781303 884439641 /nfs/dbraw/zinc/43/96/41/884439641.db2.gz KJEBCFPPJORXGI-UHFFFAOYSA-N 1 0 376.382 3.610 20 30 GHEDRO CN(C)c1ccc(C=[NH+][N-]c2ccc(S(=O)(=O)C(F)(F)F)cc2)s1 ZINC000914700073 884548435 /nfs/dbraw/zinc/54/84/35/884548435.db2.gz QKMLUKRFMLAZCO-UHFFFAOYSA-N 1 0 377.413 3.554 20 30 GHEDRO COc1cc(C[NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)ccc1C#N ZINC000898162228 884621810 /nfs/dbraw/zinc/62/18/10/884621810.db2.gz SQTWRHARMXVWDG-UHFFFAOYSA-N 1 0 390.405 3.682 20 30 GHEDRO COc1ccccc1[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000102990373 884666978 /nfs/dbraw/zinc/66/69/78/884666978.db2.gz OEJQXYIXARSWAJ-GOSISDBHSA-N 1 0 379.504 3.651 20 30 GHEDRO C#CCC(CC#C)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000806451861 884720508 /nfs/dbraw/zinc/72/05/08/884720508.db2.gz NZHKMNUJFCXPTJ-UHFFFAOYSA-N 1 0 399.538 3.919 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](C)c1ccccc1 ZINC000542541856 884732268 /nfs/dbraw/zinc/73/22/68/884732268.db2.gz IALAYNOKWDMDMD-SJORKVTESA-N 1 0 388.433 3.955 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[C@H](O)c1ccccc1 ZINC000806580119 884798602 /nfs/dbraw/zinc/79/86/02/884798602.db2.gz CHINFGGKQYJPLS-IBGZPJMESA-N 1 0 386.565 3.708 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-n4ccnc4)cc3)C2)c(F)c1 ZINC000237714014 884804876 /nfs/dbraw/zinc/80/48/76/884804876.db2.gz QUZRNXIXGREVBG-LJQANCHMSA-N 1 0 375.451 3.642 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(C)(C)C[NH+](C)C ZINC000610659554 884946710 /nfs/dbraw/zinc/94/67/10/884946710.db2.gz XBKUXGZOWCFPTB-OAHLLOKOSA-N 1 0 381.480 3.843 20 30 GHEDRO N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000860826264 885031564 /nfs/dbraw/zinc/03/15/64/885031564.db2.gz VSJJGYWVHQQWAB-UAFMIMERSA-N 1 0 395.528 3.984 20 30 GHEDRO N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC000860825920 885032123 /nfs/dbraw/zinc/03/21/23/885032123.db2.gz RRYDBWQGPUCVIC-YPIGPJMWSA-N 1 0 389.499 3.923 20 30 GHEDRO CO[C@@H](C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000860856329 885056363 /nfs/dbraw/zinc/05/63/63/885056363.db2.gz GTNQMCPOQQDGSR-OAQYLSRUSA-N 1 0 396.462 3.862 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000806929243 885096501 /nfs/dbraw/zinc/09/65/01/885096501.db2.gz YUTOHUWIMFBELM-OFNKIYASSA-N 1 0 375.516 3.885 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(C)C ZINC000914879156 885100315 /nfs/dbraw/zinc/10/03/15/885100315.db2.gz AFKQYFGTTWMCRP-HXUWFJFHSA-N 1 0 384.524 3.819 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC001130840476 885233561 /nfs/dbraw/zinc/23/35/61/885233561.db2.gz NYRPAOUUIJBXCM-HXUWFJFHSA-N 1 0 379.529 3.701 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)ccc21 ZINC000455876896 885235772 /nfs/dbraw/zinc/23/57/72/885235772.db2.gz BPBFRKFOBZNZSU-FGZHOGPDSA-N 1 0 390.487 3.713 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001183928027 912915316 /nfs/dbraw/zinc/91/53/16/912915316.db2.gz FHBBPHODUZXZRT-OAQYLSRUSA-N 1 0 386.503 3.832 20 30 GHEDRO C#CC[C@H](CCOC)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000861184586 885305818 /nfs/dbraw/zinc/30/58/18/885305818.db2.gz FNRLJZJDNVAKMJ-GOSISDBHSA-N 1 0 389.565 3.815 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460395895 885375644 /nfs/dbraw/zinc/37/56/44/885375644.db2.gz WCGQAKKNJBYHQJ-FQEVSTJZSA-N 1 0 377.492 3.825 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000556559313 885443574 /nfs/dbraw/zinc/44/35/74/885443574.db2.gz MUIWDABDMQOZMM-XJKSGUPXSA-N 1 0 382.430 3.602 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000122029508 885494727 /nfs/dbraw/zinc/49/47/27/885494727.db2.gz TWXAQFOVXXXTFN-OAQYLSRUSA-N 1 0 380.488 3.583 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2CC)c2ccccc2)CC1 ZINC000747404227 885527562 /nfs/dbraw/zinc/52/75/62/885527562.db2.gz IJZPOVHKTKVRBL-XMMPIXPASA-N 1 0 390.527 3.973 20 30 GHEDRO COc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1C#N ZINC000747410793 885609057 /nfs/dbraw/zinc/60/90/57/885609057.db2.gz PGRHYDKLVAJRCC-NRFANRHFSA-N 1 0 392.503 3.593 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000610972350 885609148 /nfs/dbraw/zinc/60/91/48/885609148.db2.gz NKMCSHAEOOOSCU-IRXDYDNUSA-N 1 0 377.492 3.539 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001131027954 885645078 /nfs/dbraw/zinc/64/50/78/885645078.db2.gz RZRBLXVSWNCZSY-XXBNENTESA-N 1 0 391.515 3.695 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000495390872 885647632 /nfs/dbraw/zinc/64/76/32/885647632.db2.gz JFBJBGGSMDSVII-LJQANCHMSA-N 1 0 390.405 3.981 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193345338 885658808 /nfs/dbraw/zinc/65/88/08/885658808.db2.gz IZQPLLMIOYAXFM-UHFFFAOYSA-N 1 0 391.443 3.770 20 30 GHEDRO C[C@H](O)C[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCCCC1 ZINC000108364004 885667612 /nfs/dbraw/zinc/66/76/12/885667612.db2.gz QODMBBGSUUGTMF-IRXDYDNUSA-N 1 0 389.565 3.892 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000108533031 885774219 /nfs/dbraw/zinc/77/42/19/885774219.db2.gz IGOQTTUPUYIWBM-QGZVFWFLSA-N 1 0 397.548 3.929 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000537591954 885818183 /nfs/dbraw/zinc/81/81/83/885818183.db2.gz KVQPHLCMPSDAIP-OZXSUGGESA-N 1 0 399.538 3.955 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000556667585 885846199 /nfs/dbraw/zinc/84/61/99/885846199.db2.gz HYSZNXHCFMLJBQ-RTBURBONSA-N 1 0 397.544 3.579 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN(CCO)[C@@H](C)c2ccccc2)cc1C ZINC001168309202 885886914 /nfs/dbraw/zinc/88/69/14/885886914.db2.gz LEJDHONUSJESTL-FQEVSTJZSA-N 1 0 379.504 3.606 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)CC1 ZINC000155028253 885983891 /nfs/dbraw/zinc/98/38/91/885983891.db2.gz CKXPZZFTXDNYAD-GOSISDBHSA-N 1 0 388.511 3.638 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)sc2c1CCC2 ZINC000194961775 885995522 /nfs/dbraw/zinc/99/55/22/885995522.db2.gz MSBPRMQHXDRUTH-UHFFFAOYSA-N 1 0 390.512 3.973 20 30 GHEDRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)oc1C ZINC000111412223 886229022 /nfs/dbraw/zinc/22/90/22/886229022.db2.gz XNWOEADHSPGIMO-MRXNPFEDSA-N 1 0 382.508 3.584 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2C)ccc1OC ZINC000808389045 886319546 /nfs/dbraw/zinc/31/95/46/886319546.db2.gz DCIKCKQUVJWKCK-SFHVURJKSA-N 1 0 384.476 3.992 20 30 GHEDRO CN1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556884227 886451309 /nfs/dbraw/zinc/45/13/09/886451309.db2.gz HKFTXHDOWCFJGR-GOTSBHOMSA-N 1 0 396.485 3.840 20 30 GHEDRO C=CCC[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccco1 ZINC000556880336 886476416 /nfs/dbraw/zinc/47/64/16/886476416.db2.gz WLCQBJVJEBZZGW-INIZCTEOSA-N 1 0 382.913 3.899 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H]1[NH+](C)C ZINC000495713537 886490324 /nfs/dbraw/zinc/49/03/24/886490324.db2.gz QUDUQQCUPUEBEK-NHCUHLMSSA-N 1 0 395.528 3.663 20 30 GHEDRO CC(C)(CCC#N)C[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000119371146 886623666 /nfs/dbraw/zinc/62/36/66/886623666.db2.gz WTKMCKAYJTXDSG-UHFFFAOYSA-N 1 0 396.457 3.591 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000762699417 886722895 /nfs/dbraw/zinc/72/28/95/886722895.db2.gz KIYLUPYYENWWRN-UHFFFAOYSA-N 1 0 388.511 3.827 20 30 GHEDRO CC[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000073680077 886774395 /nfs/dbraw/zinc/77/43/95/886774395.db2.gz JXMMSBXLNPYZHR-QFIPXVFZSA-N 1 0 376.504 3.537 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)CC1 ZINC000171719972 887047157 /nfs/dbraw/zinc/04/71/57/887047157.db2.gz XSXIAJSGNVCDCW-UHFFFAOYSA-N 1 0 379.504 3.658 20 30 GHEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000272299140 887060746 /nfs/dbraw/zinc/06/07/46/887060746.db2.gz QZNZMRRKHVEMCS-HXUWFJFHSA-N 1 0 377.488 3.755 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000670214178 887159838 /nfs/dbraw/zinc/15/98/38/887159838.db2.gz WHWFUFKZVGHDEP-UHFFFAOYSA-N 1 0 393.579 3.952 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000454229123 887232730 /nfs/dbraw/zinc/23/27/30/887232730.db2.gz PKBHKZRWWJWZCM-PKTZIBPZSA-N 1 0 393.531 3.948 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459324954 887366095 /nfs/dbraw/zinc/36/60/95/887366095.db2.gz LPGHYBDUEKBJIR-UHFFFAOYSA-N 1 0 378.476 3.810 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(C#N)CCCC2)C[C@@H]1C(F)(F)F ZINC001168499396 887480079 /nfs/dbraw/zinc/48/00/79/887480079.db2.gz BMIXAHPWLSXECT-ZIAGYGMSSA-N 1 0 375.435 3.990 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3c(Cl)nc4cc(Cl)ccn43)no2)CC1 ZINC000809532272 887518807 /nfs/dbraw/zinc/51/88/07/887518807.db2.gz XRDFTBPWMSPCMW-UHFFFAOYSA-N 1 0 376.247 3.504 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 ZINC000809550246 887565639 /nfs/dbraw/zinc/56/56/39/887565639.db2.gz ZHKNRKVNYJCAHC-KRWDZBQOSA-N 1 0 398.304 3.676 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000809632464 887633544 /nfs/dbraw/zinc/63/35/44/887633544.db2.gz QPEDMXRIXDYWAV-HXUWFJFHSA-N 1 0 386.417 3.968 20 30 GHEDRO C[C@@H](Cc1cccc(F)c1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001168501531 887643577 /nfs/dbraw/zinc/64/35/77/887643577.db2.gz SBBMVRHNNUWMQK-INIZCTEOSA-N 1 0 380.467 3.914 20 30 GHEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000809683528 887701626 /nfs/dbraw/zinc/70/16/26/887701626.db2.gz FQKPJUMPRDLDEZ-CYBMUJFWSA-N 1 0 390.842 3.617 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccnc2)Cc2ccccc2C)CC1 ZINC000171740532 887707804 /nfs/dbraw/zinc/70/78/04/887707804.db2.gz IZDZJFWZVUPTPD-UHFFFAOYSA-N 1 0 378.520 3.752 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)Cc2ccccc2C1 ZINC001184404400 913191360 /nfs/dbraw/zinc/19/13/60/913191360.db2.gz GZSKWTDEZLIMAD-FQEVSTJZSA-N 1 0 393.918 3.729 20 30 GHEDRO C=CCN1CC(=O)N(Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000794771985 888008294 /nfs/dbraw/zinc/00/82/94/888008294.db2.gz MWZWNFWXEXFUDG-UHFFFAOYSA-N 1 0 389.499 3.900 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000794799083 888067333 /nfs/dbraw/zinc/06/73/33/888067333.db2.gz JDQUEJQHLGEJPY-QHCPKHFHSA-N 1 0 391.515 3.677 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C(F)(F)F)c1 ZINC000810134095 888202542 /nfs/dbraw/zinc/20/25/42/888202542.db2.gz PWIIPHMGPUVXLG-UHFFFAOYSA-N 1 0 375.394 3.703 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000810168897 888228925 /nfs/dbraw/zinc/22/89/25/888228925.db2.gz GHAZRQPAKJQEMQ-UHFFFAOYSA-N 1 0 385.261 3.631 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)ccc1OC ZINC000865460931 888366064 /nfs/dbraw/zinc/36/60/64/888366064.db2.gz QZIGRRZSRZPHRH-IBGZPJMESA-N 1 0 378.476 3.604 20 30 GHEDRO CCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000053721155 888384162 /nfs/dbraw/zinc/38/41/62/888384162.db2.gz HFPFSTLDZMFYRK-UHFFFAOYSA-N 1 0 386.499 3.881 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000763268297 888420706 /nfs/dbraw/zinc/42/07/06/888420706.db2.gz ZLBQRGLFNXWGPB-NRFANRHFSA-N 1 0 377.488 3.827 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000796076906 913245147 /nfs/dbraw/zinc/24/51/47/913245147.db2.gz BWBQPMIKFOIIPV-JOCHJYFZSA-N 1 0 391.515 3.692 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000865605992 888471400 /nfs/dbraw/zinc/47/14/00/888471400.db2.gz MAOHCYLKVJIZMZ-SFHVURJKSA-N 1 0 379.464 3.862 20 30 GHEDRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNCC[NH+]1CCCCC1 ZINC000915973882 888591221 /nfs/dbraw/zinc/59/12/21/888591221.db2.gz OGGRWBAIFRWJAW-UHFFFAOYSA-N 1 0 380.323 3.897 20 30 GHEDRO O=[N+]([O-])c1cc(C=NNCC[NH+]2CCCCC2)ccc1Oc1ccc(F)cc1 ZINC000915974163 888591659 /nfs/dbraw/zinc/59/16/59/888591659.db2.gz PIZAKROMLWZAAZ-UHFFFAOYSA-N 1 0 386.427 3.936 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)c2ccnn2C)cc1OC ZINC000865838818 888603886 /nfs/dbraw/zinc/60/38/86/888603886.db2.gz DAUWLHYMBVIYNO-GFCCVEGCSA-N 1 0 380.286 3.607 20 30 GHEDRO COC(=O)CC1([NH2+]Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CCC1 ZINC000459382915 888760372 /nfs/dbraw/zinc/76/03/72/888760372.db2.gz AOQLUCPXWZEVHX-UHFFFAOYSA-N 1 0 394.471 3.721 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc3nccnc3c2)no1 ZINC001211975610 888772724 /nfs/dbraw/zinc/77/27/24/888772724.db2.gz MACPMWGNRRVNPY-APWZRJJASA-N 1 0 381.480 3.758 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC001211975617 888772798 /nfs/dbraw/zinc/77/27/98/888772798.db2.gz MGIOFLFMFFBASM-SJORKVTESA-N 1 0 389.496 3.832 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2c(ccnc2Cl)o1 ZINC000866347697 888840170 /nfs/dbraw/zinc/84/01/70/888840170.db2.gz WLLHVFTVHSUTNN-SUMWQHHRSA-N 1 0 394.862 3.805 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000532768817 888874826 /nfs/dbraw/zinc/87/48/26/888874826.db2.gz ZVJCKHNPKVMFQB-MRXNPFEDSA-N 1 0 396.878 3.501 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc(OC)c1OC ZINC000866444793 888881411 /nfs/dbraw/zinc/88/14/11/888881411.db2.gz DPAKGRJEJSGAML-INIZCTEOSA-N 1 0 395.503 3.904 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000866448153 888883136 /nfs/dbraw/zinc/88/31/36/888883136.db2.gz AIZYKLJKHPRBCS-KRWDZBQOSA-N 1 0 376.504 3.580 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000130214537 889082551 /nfs/dbraw/zinc/08/25/51/889082551.db2.gz RGUPGTPKWIRHSP-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=S)NCCCCC(F)(F)F ZINC000794974169 889094875 /nfs/dbraw/zinc/09/48/75/889094875.db2.gz JJXVSBWTPRYXNR-UHFFFAOYSA-N 1 0 386.487 3.529 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000121699395 889095848 /nfs/dbraw/zinc/09/58/48/889095848.db2.gz ZUPXIYZHRRTRNQ-WOJBJXKFSA-N 1 0 399.535 3.516 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C2CCN(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000016703064 889126936 /nfs/dbraw/zinc/12/69/36/889126936.db2.gz YEQXLDLCWBBVCY-JJIBRWJFSA-N 1 0 379.504 3.962 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)C[NH+]1CCCCC1 ZINC000496879738 889142581 /nfs/dbraw/zinc/14/25/81/889142581.db2.gz FJJLNQMROKDEKU-KRWDZBQOSA-N 1 0 381.476 3.582 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2ncc(C#N)cc2Cl)c2cccs2)CC1 ZINC000532886678 889202645 /nfs/dbraw/zinc/20/26/45/889202645.db2.gz ZYVMKJWMMJTYRA-INIZCTEOSA-N 1 0 388.924 3.871 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763408100 889233215 /nfs/dbraw/zinc/23/32/15/889233215.db2.gz PBAOGSWXAOMWHC-HBMCJLEFSA-N 1 0 399.535 3.703 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000465529369 889251507 /nfs/dbraw/zinc/25/15/07/889251507.db2.gz WHNYHUJESVEKEK-GOTSBHOMSA-N 1 0 388.515 3.526 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000868040441 889268864 /nfs/dbraw/zinc/26/88/64/889268864.db2.gz LLTFMCADWPDWLG-UHFFFAOYSA-N 1 0 376.504 3.538 20 30 GHEDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000868097030 889292124 /nfs/dbraw/zinc/29/21/24/889292124.db2.gz BZTWNFDBECFQFD-OAQYLSRUSA-N 1 0 397.548 3.834 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000532970766 889409372 /nfs/dbraw/zinc/40/93/72/889409372.db2.gz YDOOUDFWLWSAMM-ATZDWAIDSA-N 1 0 375.900 3.676 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000532970768 889409719 /nfs/dbraw/zinc/40/97/19/889409719.db2.gz YDOOUDFWLWSAMM-KFKAGJAMSA-N 1 0 375.900 3.676 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC000454654323 889474928 /nfs/dbraw/zinc/47/49/28/889474928.db2.gz BHKQXPLUZXIFIN-IYBDPMFKSA-N 1 0 394.475 3.915 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CC1 ZINC000122369247 889703442 /nfs/dbraw/zinc/70/34/42/889703442.db2.gz VHJDXTBQVSLNJU-UHFFFAOYSA-N 1 0 391.302 3.522 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(F)(F)F)c1 ZINC001132904004 889810843 /nfs/dbraw/zinc/81/08/43/889810843.db2.gz MCYDIILGWINSTD-MOPGFXCFSA-N 1 0 387.405 3.800 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000811708019 889885505 /nfs/dbraw/zinc/88/55/05/889885505.db2.gz OSPSQWQFDRQPOA-KRWDZBQOSA-N 1 0 381.505 3.516 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc(C#N)c1 ZINC000533231353 890070290 /nfs/dbraw/zinc/07/02/90/890070290.db2.gz VOLWWLSUFCUKEL-QFIPXVFZSA-N 1 0 399.498 3.691 20 30 GHEDRO COc1ccc(CCC[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000125893895 890237948 /nfs/dbraw/zinc/23/79/48/890237948.db2.gz RBLJZSKOTAIZJP-UHFFFAOYSA-N 1 0 383.517 3.814 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000841762518 890297971 /nfs/dbraw/zinc/29/79/71/890297971.db2.gz PTFJNAKBZLHAGE-JWOSDPRPSA-N 1 0 399.535 3.844 20 30 GHEDRO C[C@]1(COC(=O)Cc2ccc(OCC#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000747771598 890387140 /nfs/dbraw/zinc/38/71/40/890387140.db2.gz BPVWNJJPJVNPSU-HSZRJFAPSA-N 1 0 378.472 3.729 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3ccc(CC#N)cn3)c3nccc2-3)cc1 ZINC001170664558 890400626 /nfs/dbraw/zinc/40/06/26/890400626.db2.gz WBUPNQVFGFAISX-OAHLLOKOSA-N 1 0 396.454 3.710 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCC2)cc1 ZINC000533370803 890403931 /nfs/dbraw/zinc/40/39/31/890403931.db2.gz LSPCAOKTTPFTPJ-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000455233856 890567753 /nfs/dbraw/zinc/56/77/53/890567753.db2.gz GNAHKCYEDKJMIN-UHFFFAOYSA-N 1 0 399.539 3.511 20 30 GHEDRO C=CCc1ccnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1C(OC)OC ZINC001170679490 890722875 /nfs/dbraw/zinc/72/28/75/890722875.db2.gz GIAXYFJKKZPGLO-HNNXBMFYSA-N 1 0 378.476 3.974 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](Cc1ccccc1)C(C)=O ZINC000871642489 890955620 /nfs/dbraw/zinc/95/56/20/890955620.db2.gz IPPXAQGGMDFZAC-HXUWFJFHSA-N 1 0 398.576 3.785 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CC2(CCC2)CO1 ZINC000871643184 890957367 /nfs/dbraw/zinc/95/73/67/890957367.db2.gz XGTZGZNRHZFEOY-QGZVFWFLSA-N 1 0 376.570 3.544 20 30 GHEDRO C#C[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ccc(F)cc1 ZINC000812792873 890988728 /nfs/dbraw/zinc/98/87/28/890988728.db2.gz JMXAPVUUPUINAW-WIXQSORDSA-N 1 0 376.431 3.697 20 30 GHEDRO Cc1cc(NCc2cnc3ccc(C#N)cn23)ccc1OCC[NH+]1CCCC1 ZINC000123828745 891051013 /nfs/dbraw/zinc/05/10/13/891051013.db2.gz RRXCORZXRBNMCN-UHFFFAOYSA-N 1 0 375.476 3.601 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000455528918 891090554 /nfs/dbraw/zinc/09/05/54/891090554.db2.gz AZHHTFPDQJDOBY-YLJYHZDGSA-N 1 0 394.494 3.797 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)CC1 ZINC000917097645 891118990 /nfs/dbraw/zinc/11/89/90/891118990.db2.gz DSXXZHLHLUULHJ-MRXNPFEDSA-N 1 0 388.581 3.561 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872033179 891127556 /nfs/dbraw/zinc/12/75/56/891127556.db2.gz GHAHQQOJLCQKGQ-APWZRJJASA-N 1 0 379.342 3.767 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[NH2+]C3CCC(C)(C#N)CC3)C2)CC1 ZINC000872125261 891171873 /nfs/dbraw/zinc/17/18/73/891171873.db2.gz WZBWGGFGZHQYKE-WBTXTPOCSA-N 1 0 391.556 3.855 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813030578 891228117 /nfs/dbraw/zinc/22/81/17/891228117.db2.gz NAIMCJJLWBAESY-FCHUYYIVSA-N 1 0 395.478 3.645 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)ccc1OC ZINC000237373773 891569985 /nfs/dbraw/zinc/56/99/85/891569985.db2.gz FQFHJKPECADNPU-SFHVURJKSA-N 1 0 384.451 3.684 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873310125 891575111 /nfs/dbraw/zinc/57/51/11/891575111.db2.gz NMJHFJDHLQMMFT-AGIUHOORSA-N 1 0 386.443 3.539 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873310094 891575419 /nfs/dbraw/zinc/57/54/19/891575419.db2.gz NDUPQAROPYKDII-QAPCUYQASA-N 1 0 380.517 3.917 20 30 GHEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873328500 891585942 /nfs/dbraw/zinc/58/59/42/891585942.db2.gz XLJQFKQIVSGRHA-WCBMZHEXSA-N 1 0 387.299 3.754 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(-c3ccsc3)c2)CC1 ZINC000873705412 891768761 /nfs/dbraw/zinc/76/87/61/891768761.db2.gz DAKKVTGJVLJUSU-UHFFFAOYSA-N 1 0 397.544 3.819 20 30 GHEDRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000874006351 891925156 /nfs/dbraw/zinc/92/51/56/891925156.db2.gz KVJNZQCSLFYBFX-OAQYLSRUSA-N 1 0 377.488 3.639 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2cccc(Br)c2)CC1 ZINC000162140582 892055124 /nfs/dbraw/zinc/05/51/24/892055124.db2.gz IPRBZRHVIDTOHZ-UHFFFAOYSA-N 1 0 383.355 3.698 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000814248677 892461026 /nfs/dbraw/zinc/46/10/26/892461026.db2.gz DWEFFJKSJMQGME-CVEARBPZSA-N 1 0 392.459 3.583 20 30 GHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3cscc3C#N)cc2)C[C@H]1C ZINC000497799868 892463169 /nfs/dbraw/zinc/46/31/69/892463169.db2.gz YIBFTOVGOCHFBW-CALCHBBNSA-N 1 0 397.544 3.559 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1cccc(C)c1 ZINC000154508687 892496932 /nfs/dbraw/zinc/49/69/32/892496932.db2.gz LGQPLXSCYVGJLC-ZDUSSCGKSA-O 1 0 386.541 3.757 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192474571 892531420 /nfs/dbraw/zinc/53/14/20/892531420.db2.gz HINFXVBYUJGDLZ-UHFFFAOYSA-N 1 0 379.435 3.621 20 30 GHEDRO C#CCN(C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001134265163 892544148 /nfs/dbraw/zinc/54/41/48/892544148.db2.gz BEBSYCVLWAHSKU-UHFFFAOYSA-N 1 0 389.927 3.616 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000272881338 892936937 /nfs/dbraw/zinc/93/69/37/892936937.db2.gz QROVCPUVCQMOAA-OAHLLOKOSA-N 1 0 380.510 3.517 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(C(=O)OC(C)(C)C)c2Cl)CC1 ZINC000876066975 892941633 /nfs/dbraw/zinc/94/16/33/892941633.db2.gz NKDJVSNNYGUEFL-UHFFFAOYSA-N 1 0 394.874 3.718 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273594631 892950222 /nfs/dbraw/zinc/95/02/22/892950222.db2.gz MFJAPUXSMAFOHK-NHCUHLMSSA-N 1 0 389.515 3.728 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273594628 892950260 /nfs/dbraw/zinc/95/02/60/892950260.db2.gz MFJAPUXSMAFOHK-LEWJYISDSA-N 1 0 389.515 3.728 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc3cc(C(=O)OC)sc32)CC1 ZINC000455712659 893078576 /nfs/dbraw/zinc/07/85/76/893078576.db2.gz KWWUACQTJYRYPV-UHFFFAOYSA-N 1 0 387.505 3.850 20 30 GHEDRO C=CCNc1ncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000129138802 893086992 /nfs/dbraw/zinc/08/69/92/893086992.db2.gz SYNNHNZUTYNTHA-WMZOPIPTSA-N 1 0 384.549 3.866 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000069293722 893243750 /nfs/dbraw/zinc/24/37/50/893243750.db2.gz OFLBCTGUBMKHBY-KRWDZBQOSA-N 1 0 394.519 3.853 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000876717255 893299090 /nfs/dbraw/zinc/29/90/90/893299090.db2.gz BFERUEUWYUFFHW-OAHLLOKOSA-N 1 0 394.306 3.733 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000918197061 893303520 /nfs/dbraw/zinc/30/35/20/893303520.db2.gz FTBHANWFFNRJOR-QGZVFWFLSA-N 1 0 394.696 3.938 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC000877009128 893431399 /nfs/dbraw/zinc/43/13/99/893431399.db2.gz HYCIBHIDACIDLQ-UHFFFAOYSA-N 1 0 392.544 3.565 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137115430 893465189 /nfs/dbraw/zinc/46/51/89/893465189.db2.gz NRTVWSXHYJPKDE-JOCHJYFZSA-N 1 0 385.508 3.954 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)Cc2cccnc2)c1C#N ZINC000934237506 893492885 /nfs/dbraw/zinc/49/28/85/893492885.db2.gz YTMKUOHZSPXKBJ-HNNXBMFYSA-N 1 0 379.508 3.646 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1C#N ZINC000815156079 893492903 /nfs/dbraw/zinc/49/29/03/893492903.db2.gz UDUNIIOHUIMDKZ-MGPUTAFESA-N 1 0 381.451 3.548 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)CC2=O)s1 ZINC001137117949 893554217 /nfs/dbraw/zinc/55/42/17/893554217.db2.gz IYFJJIBVSFNZLR-NRFANRHFSA-N 1 0 381.501 3.588 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000815202370 893595999 /nfs/dbraw/zinc/59/59/99/893595999.db2.gz XUGMYRZXHNLXRQ-HBMCJLEFSA-N 1 0 399.535 3.703 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000536731109 893642626 /nfs/dbraw/zinc/64/26/26/893642626.db2.gz HPBXVTVCMMDWKF-SFTDATJTSA-N 1 0 391.515 3.669 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000536740991 893671000 /nfs/dbraw/zinc/67/10/00/893671000.db2.gz COMYLYSNTLKGLA-UHFFFAOYSA-N 1 0 378.314 3.570 20 30 GHEDRO COC(=O)C1(C#N)CCN(C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877566089 893693085 /nfs/dbraw/zinc/69/30/85/893693085.db2.gz DDCZFWNDARTRDG-DEOSSOPVSA-N 1 0 397.563 3.704 20 30 GHEDRO CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001137124089 893713977 /nfs/dbraw/zinc/71/39/77/893713977.db2.gz OJOSYGYRNJOYFM-YQQQUEKLSA-N 1 0 385.508 3.857 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001137124145 893716055 /nfs/dbraw/zinc/71/60/55/893716055.db2.gz QYPICATZOOQSKS-UHFFFAOYSA-N 1 0 391.393 3.810 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877614793 893719604 /nfs/dbraw/zinc/71/96/04/893719604.db2.gz ICBHNVBGUYIYFH-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1C#N ZINC000194668549 893771224 /nfs/dbraw/zinc/77/12/24/893771224.db2.gz KOYUQRXYZILBSY-QEEYODRMSA-N 1 0 382.508 3.971 20 30 GHEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609280846 893863745 /nfs/dbraw/zinc/86/37/45/893863745.db2.gz QPHWMJXQNNMGLE-KNQAVFIVSA-N 1 0 380.488 3.728 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000563657408 894033068 /nfs/dbraw/zinc/03/30/68/894033068.db2.gz QQTXODPKWAILCU-MRXNPFEDSA-N 1 0 389.931 3.790 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000070060426 894044703 /nfs/dbraw/zinc/04/47/03/894044703.db2.gz CNHUYZWQMBJYCM-UHFFFAOYSA-N 1 0 399.583 3.501 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)c(F)c1 ZINC000459685702 894072775 /nfs/dbraw/zinc/07/27/75/894072775.db2.gz BDIDNSLMONGZOK-CQSZACIVSA-N 1 0 395.247 3.540 20 30 GHEDRO CC(C)(CC#N)C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000459736309 894157080 /nfs/dbraw/zinc/15/70/80/894157080.db2.gz URGOGYSQPLHSFU-UHFFFAOYSA-N 1 0 377.916 3.676 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21)c1ccccc1 ZINC000878304767 894180536 /nfs/dbraw/zinc/18/05/36/894180536.db2.gz PZOPPUDSHBBURA-XUZZJYLKSA-N 1 0 386.499 3.941 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000537006774 894212479 /nfs/dbraw/zinc/21/24/79/894212479.db2.gz YHSGZTWILHWXGH-UHFFFAOYSA-N 1 0 376.504 3.708 20 30 GHEDRO N#CC1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCSCC1 ZINC000935143525 894225480 /nfs/dbraw/zinc/22/54/80/894225480.db2.gz GHELKGYHBIPRHW-UHFFFAOYSA-N 1 0 383.561 3.538 20 30 GHEDRO C=CCCC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000537046821 894261573 /nfs/dbraw/zinc/26/15/73/894261573.db2.gz LSEAUBRJSFNWCN-INIZCTEOSA-N 1 0 394.357 3.750 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000537051929 894270345 /nfs/dbraw/zinc/27/03/45/894270345.db2.gz MOCGYRXXXFGUPZ-CQSZACIVSA-N 1 0 385.464 3.855 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000127107486 894273409 /nfs/dbraw/zinc/27/34/09/894273409.db2.gz SSMZOEHJIILXOT-SYYKKAFVSA-N 1 0 396.535 3.526 20 30 GHEDRO CCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 ZINC000022686525 894277138 /nfs/dbraw/zinc/27/71/38/894277138.db2.gz HIPQBPAXLDDSMM-UHFFFAOYSA-O 1 0 375.464 3.679 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)cn2)cc1)C[C@H]1CCCCO1 ZINC000537118611 894336938 /nfs/dbraw/zinc/33/69/38/894336938.db2.gz VRVIXVIWARFHRE-OAQYLSRUSA-N 1 0 392.503 3.985 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(CO)(Cc2ccccc2)CC1)c1ccccc1 ZINC000878518668 894354893 /nfs/dbraw/zinc/35/48/93/894354893.db2.gz OMRWGEUHZZSHCJ-RUZDIDTESA-N 1 0 390.527 3.744 20 30 GHEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000537129097 894372969 /nfs/dbraw/zinc/37/29/69/894372969.db2.gz FRFKUDZTBKMJLZ-NRFANRHFSA-N 1 0 379.504 3.950 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(CO)c1 ZINC000022798015 894408326 /nfs/dbraw/zinc/40/83/26/894408326.db2.gz SAGQGTSCAMSGSP-UHFFFAOYSA-O 1 0 383.537 3.694 20 30 GHEDRO Cc1csc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC000564096534 894587502 /nfs/dbraw/zinc/58/75/02/894587502.db2.gz LVHUQFWLXQVZKH-ZWKOTPCHSA-N 1 0 380.517 3.914 20 30 GHEDRO CC(C)Oc1ccccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001137138178 894652977 /nfs/dbraw/zinc/65/29/77/894652977.db2.gz RLEAUDACUPOZPT-DEOSSOPVSA-N 1 0 389.499 3.974 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(N(C)C)COc2ccccc2C1 ZINC001135486707 894660389 /nfs/dbraw/zinc/66/03/89/894660389.db2.gz DKYCGCTYKXDQEU-HXUWFJFHSA-N 1 0 390.936 3.852 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 ZINC000879038165 894800935 /nfs/dbraw/zinc/80/09/35/894800935.db2.gz QJDHFHYNFHMOJL-XTQVGHSUSA-N 1 0 384.520 3.727 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000816453990 894814090 /nfs/dbraw/zinc/81/40/90/894814090.db2.gz XQORTZDMXPKGQX-GCJKJVERSA-N 1 0 378.472 3.585 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000816453991 894814696 /nfs/dbraw/zinc/81/46/96/894814696.db2.gz XQORTZDMXPKGQX-PGRDOPGGSA-N 1 0 378.472 3.585 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000879135748 894856760 /nfs/dbraw/zinc/85/67/60/894856760.db2.gz DQMRVBLMNLLAFF-SFHVURJKSA-N 1 0 392.503 3.763 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)C2)c1 ZINC000537407413 894926487 /nfs/dbraw/zinc/92/64/87/894926487.db2.gz KKSVGWNMWQRXCN-HOTGVXAUSA-N 1 0 383.467 3.892 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(OCC(F)(F)F)nc3)CC2)cc1 ZINC000537455306 895019288 /nfs/dbraw/zinc/01/92/88/895019288.db2.gz CTIYQGFLTLUOJU-UHFFFAOYSA-N 1 0 390.409 3.971 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)cc1 ZINC000816765714 895061504 /nfs/dbraw/zinc/06/15/04/895061504.db2.gz QWLALFMDPWLBEV-UHFFFAOYSA-N 1 0 375.428 3.688 20 30 GHEDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000897579325 895113622 /nfs/dbraw/zinc/11/36/22/895113622.db2.gz UCKPKGUIAGSQMK-SFHVURJKSA-N 1 0 390.491 3.610 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)C[C@@H](C)O1 ZINC000564713317 895202932 /nfs/dbraw/zinc/20/29/32/895202932.db2.gz OPYAGQRESYTTAI-HUUCEWRRSA-N 1 0 396.457 3.688 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000816934819 895223625 /nfs/dbraw/zinc/22/36/25/895223625.db2.gz FCXPIMCDHAFCIG-LJQANCHMSA-N 1 0 380.463 3.731 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC001135825211 895352111 /nfs/dbraw/zinc/35/21/11/895352111.db2.gz JTPPLAQCAXONCQ-QFIPXVFZSA-N 1 0 382.504 3.612 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603348 895395063 /nfs/dbraw/zinc/39/50/63/895395063.db2.gz BLTCVOYXAVSBBE-UHFFFAOYSA-O 1 0 398.483 3.601 20 30 GHEDRO Cc1csc([C@@H]2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007192 895444310 /nfs/dbraw/zinc/44/43/10/895444310.db2.gz DIZZJPYNUSRHQW-CHWSQXEVSA-N 1 0 386.546 3.690 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001135950830 895756714 /nfs/dbraw/zinc/75/67/14/895756714.db2.gz FFGGNXIJKCGDMB-QFIPXVFZSA-N 1 0 387.527 3.808 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(F)c(F)c1F ZINC000880683787 895806601 /nfs/dbraw/zinc/80/66/01/895806601.db2.gz SJNGVAKTESZKRF-UHFFFAOYSA-N 1 0 394.372 3.710 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000565757768 895855692 /nfs/dbraw/zinc/85/56/92/895855692.db2.gz PWEJNAYSOHNMJK-ABSDTBQOSA-N 1 0 378.524 3.564 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000565946999 896003097 /nfs/dbraw/zinc/00/30/97/896003097.db2.gz HGVRQBGRNPOSAD-XMSQKQJNSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(OCc3ccccc3C#N)c1)C[C@@H](C)O2 ZINC000566080755 896095883 /nfs/dbraw/zinc/09/58/83/896095883.db2.gz IVCDPEXGRIPLMI-KHCICDEESA-N 1 0 392.499 3.906 20 30 GHEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2C(=O)OC(C)(C)C)nn1 ZINC000818347269 896102712 /nfs/dbraw/zinc/10/27/12/896102712.db2.gz OVIULUGRYLNVTM-OTWHNJEPSA-N 1 0 389.544 3.512 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4cccc(Cl)c4C3)CC2)cc1 ZINC001170910292 896205011 /nfs/dbraw/zinc/20/50/11/896205011.db2.gz DBKZQJXVHKFWLT-FQEVSTJZSA-N 1 0 393.918 3.963 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)cc1 ZINC000819261207 896548021 /nfs/dbraw/zinc/54/80/21/896548021.db2.gz BMXWDJPGXVWYBR-CXAGYDPISA-N 1 0 393.270 3.718 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)cc1 ZINC000819261212 896548590 /nfs/dbraw/zinc/54/85/90/896548590.db2.gz BMXWDJPGXVWYBR-SUMWQHHRSA-N 1 0 393.270 3.718 20 30 GHEDRO C=C[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC001136209292 896605220 /nfs/dbraw/zinc/60/52/20/896605220.db2.gz FRFYBNCAZOFGCI-SELNLUPBSA-N 1 0 378.516 3.882 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000566843927 896626151 /nfs/dbraw/zinc/62/61/51/896626151.db2.gz MOBJCDNKQSUSKZ-UHFFFAOYSA-N 1 0 377.492 3.745 20 30 GHEDRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(C4CC4)c(C#N)c3)CC2)CC1 ZINC000882310826 896752477 /nfs/dbraw/zinc/75/24/77/896752477.db2.gz VCYCTIYEVBCEQN-UHFFFAOYSA-N 1 0 380.536 3.570 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000819511840 896802121 /nfs/dbraw/zinc/80/21/21/896802121.db2.gz KGYDTYBYZAMCJC-CQSZACIVSA-N 1 0 388.002 3.781 20 30 GHEDRO Cc1cc(Br)cnc1N=NC1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000819828009 897011713 /nfs/dbraw/zinc/01/17/13/897011713.db2.gz RDZXRHAEEIZAHB-CQSZACIVSA-N 1 0 388.313 3.857 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000130632761 897164519 /nfs/dbraw/zinc/16/45/19/897164519.db2.gz GFCFUCBGVUJKNR-CJNGLKHVSA-N 1 0 378.266 3.656 20 30 GHEDRO C=CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1nc2c(s1)CCCC2 ZINC000567449557 897168123 /nfs/dbraw/zinc/16/81/23/897168123.db2.gz PEIGZNNVGUGWNI-GOSISDBHSA-N 1 0 396.560 3.848 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)Cc2cccc(OCC#N)c2)c2cccs2)CC1 ZINC000130900084 897248823 /nfs/dbraw/zinc/24/88/23/897248823.db2.gz VBUSLQYUJISYER-HXUWFJFHSA-N 1 0 397.544 3.782 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000131182143 897350200 /nfs/dbraw/zinc/35/02/00/897350200.db2.gz HSBXEMCOUGUJJF-IBGZPJMESA-N 1 0 375.451 3.786 20 30 GHEDRO C#C[C@H](NC(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)c1ccc(F)cc1 ZINC000820491588 897358295 /nfs/dbraw/zinc/35/82/95/897358295.db2.gz YELWPIXWPMOFGF-KRWDZBQOSA-N 1 0 387.421 3.806 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)CCC[NH+](CC)CC)CCCN1C(=O)OC(C)(C)C ZINC001136345911 897383105 /nfs/dbraw/zinc/38/31/05/897383105.db2.gz OSKMYRNFFFLDNO-AVRDEDQJSA-N 1 0 395.588 3.959 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883377830 897544166 /nfs/dbraw/zinc/54/41/66/897544166.db2.gz RIQUPVNBCVATKD-HQVVEAJESA-N 1 0 376.298 3.764 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](Cn3ccnc3)c3ccccc3)CC2)cc1 ZINC000883386260 897548584 /nfs/dbraw/zinc/54/85/84/897548584.db2.gz CLNGDBRYQZVZKB-XMMPIXPASA-N 1 0 385.515 3.750 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1=CC[N@H+](C)CC1 ZINC000568126768 897617217 /nfs/dbraw/zinc/61/72/17/897617217.db2.gz WLEVRCSTYBXPFH-QGZVFWFLSA-N 1 0 375.472 3.925 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000568156729 897641638 /nfs/dbraw/zinc/64/16/38/897641638.db2.gz NDOPNBDOVSPDMQ-ODGPQVTHSA-N 1 0 394.515 3.781 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001136434675 897823149 /nfs/dbraw/zinc/82/31/49/897823149.db2.gz FVDFWWUNPJUSSJ-UHFFFAOYSA-N 1 0 377.488 3.873 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000568564410 897938821 /nfs/dbraw/zinc/93/88/21/897938821.db2.gz VYISMESYDYZGHR-UHFFFAOYSA-N 1 0 391.475 3.522 20 30 GHEDRO C=C(C)C[N@@H+](CC)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000102669972 898023530 /nfs/dbraw/zinc/02/35/30/898023530.db2.gz BAIPQJUVMJZBMW-UHFFFAOYSA-N 1 0 388.899 3.779 20 30 GHEDRO C[C@]1(CNC(=O)NCc2ccc(CC#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000569114743 898349285 /nfs/dbraw/zinc/34/92/85/898349285.db2.gz IQIMEBPBKFQOFZ-HSZRJFAPSA-N 1 0 376.504 3.607 20 30 GHEDRO C[C@H](CCc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001186025713 914259537 /nfs/dbraw/zinc/25/95/37/914259537.db2.gz BHLKGYPQZIRGHP-HXUWFJFHSA-N 1 0 375.516 3.930 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000569532995 898754610 /nfs/dbraw/zinc/75/46/10/898754610.db2.gz ZBKRIUFUVMLQKG-UHFFFAOYSA-N 1 0 395.551 3.806 20 30 GHEDRO CCCCCOc1ccc([C@@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1OC ZINC000884080744 898808708 /nfs/dbraw/zinc/80/87/08/898808708.db2.gz DUASZWMQUSNTNW-YJIIZRPXSA-N 1 0 399.535 3.581 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001136677627 898847942 /nfs/dbraw/zinc/84/79/42/898847942.db2.gz YWIWELAHJBSCHJ-IBGZPJMESA-N 1 0 375.516 3.860 20 30 GHEDRO CCN(C(=O)c1ccc(C#N)c(OC)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000823125804 898862571 /nfs/dbraw/zinc/86/25/71/898862571.db2.gz PQXPCHVAHCBZJX-UTKZUKDTSA-N 1 0 377.488 3.864 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1C ZINC000331544520 898970824 /nfs/dbraw/zinc/97/08/24/898970824.db2.gz GYTWBLWWMLNYPL-TZMOSPSESA-N 1 0 397.563 3.812 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000331558709 898979974 /nfs/dbraw/zinc/97/99/74/898979974.db2.gz IVIQHXSVRWSCPV-DLBZAZTESA-N 1 0 399.583 3.835 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884131314 899014543 /nfs/dbraw/zinc/01/45/43/899014543.db2.gz IIUWDGUFOCQGKY-AVGIRISVSA-N 1 0 394.544 3.744 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331646638 899052777 /nfs/dbraw/zinc/05/27/77/899052777.db2.gz VXKCEHAZVUNSHL-NQOGSSOHSA-N 1 0 383.536 3.583 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1C#N ZINC000331665537 899067312 /nfs/dbraw/zinc/06/73/12/899067312.db2.gz ZDJYEKDMHWUBHG-OAQYLSRUSA-N 1 0 399.583 3.692 20 30 GHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043996355 899085902 /nfs/dbraw/zinc/08/59/02/899085902.db2.gz AMGSWTDPEWWADF-UHFFFAOYSA-N 1 0 388.496 3.897 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)c1 ZINC000570083055 899113692 /nfs/dbraw/zinc/11/36/92/899113692.db2.gz VVSKXBSPQFYGQI-UHFFFAOYSA-N 1 0 392.434 3.768 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171030574 899238149 /nfs/dbraw/zinc/23/81/49/899238149.db2.gz OIQSRYYIHNCCLC-IBGZPJMESA-N 1 0 393.918 3.963 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000331988977 899322879 /nfs/dbraw/zinc/32/28/79/899322879.db2.gz UQUXVIACSYWZCS-JLTOFOAXSA-N 1 0 375.538 3.574 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000824012702 899331864 /nfs/dbraw/zinc/33/18/64/899331864.db2.gz LPCWWYNPBIXARW-GOSISDBHSA-N 1 0 391.519 3.925 20 30 GHEDRO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(CC#N)CC1 ZINC000772878370 899355556 /nfs/dbraw/zinc/35/55/56/899355556.db2.gz FBWJCQWDMSFYBL-MJGOQNOKSA-N 1 0 378.561 3.522 20 30 GHEDRO Cc1ccnc(Oc2cc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)ccc2C)c1 ZINC000884225131 899421630 /nfs/dbraw/zinc/42/16/30/899421630.db2.gz JWKHLVKSTYJPFJ-PSCUFVCCSA-N 1 0 376.460 3.569 20 30 GHEDRO N#CC1(NC(=O)c2coc3ccc(F)cc23)CC[NH+](Cc2ccccc2)CC1 ZINC000570685142 899505457 /nfs/dbraw/zinc/50/54/57/899505457.db2.gz QEMQFWQXSXHDIS-UHFFFAOYSA-N 1 0 377.419 3.860 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000570850507 899638183 /nfs/dbraw/zinc/63/81/83/899638183.db2.gz WDRSLFXMULAGLO-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000571055725 899727864 /nfs/dbraw/zinc/72/78/64/899727864.db2.gz WKLLKNVIXNDKOK-JENIJYKNSA-N 1 0 376.460 3.860 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1C ZINC001136923143 899767074 /nfs/dbraw/zinc/76/70/74/899767074.db2.gz GCRLKVRIQGTWLK-UHFFFAOYSA-N 1 0 379.504 3.988 20 30 GHEDRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)ccc1C#N ZINC000824719854 899785984 /nfs/dbraw/zinc/78/59/84/899785984.db2.gz HZFATQSJMNWNEV-UHFFFAOYSA-N 1 0 381.501 3.676 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000332675488 899844456 /nfs/dbraw/zinc/84/44/56/899844456.db2.gz NZHIROVTCJKVIQ-HUUCEWRRSA-N 1 0 382.386 3.547 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000135299914 900218463 /nfs/dbraw/zinc/21/84/63/900218463.db2.gz OXVXCFGMFRIDGY-LJQANCHMSA-N 1 0 382.439 3.687 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135322642 900223413 /nfs/dbraw/zinc/22/34/13/900223413.db2.gz IHXCTHGBSNLPDI-HOTGVXAUSA-N 1 0 376.476 3.608 20 30 GHEDRO COc1ccc(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cc1C(F)(F)F ZINC001143636233 900258013 /nfs/dbraw/zinc/25/80/13/900258013.db2.gz CZEMEFQDSYTHRR-KBPBESRZSA-N 1 0 389.311 3.941 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000573072154 900367939 /nfs/dbraw/zinc/36/79/39/900367939.db2.gz VKGXOUNKCQOSFT-QGZVFWFLSA-N 1 0 398.511 3.598 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c(-c2ccncc2)n1 ZINC000573160846 900403165 /nfs/dbraw/zinc/40/31/65/900403165.db2.gz HZSHPBASAYVZBC-LJQANCHMSA-N 1 0 377.423 3.611 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)n1-c1ccc(C#N)cc1 ZINC000157310650 900424142 /nfs/dbraw/zinc/42/41/42/900424142.db2.gz BPFQMWUAOXAWOF-KNQAVFIVSA-N 1 0 376.504 3.522 20 30 GHEDRO Cc1nc(SCC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(C#N)c(C)c1C ZINC000573404712 900501152 /nfs/dbraw/zinc/50/11/52/900501152.db2.gz NTGFYRRMVJAVPB-OAHLLOKOSA-N 1 0 396.560 3.607 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2F)ccc1OC ZINC000885981664 900664891 /nfs/dbraw/zinc/66/48/91/900664891.db2.gz KPIJTMKTOKCGBA-MRXNPFEDSA-N 1 0 388.439 3.822 20 30 GHEDRO CC(C)[C@H](CC[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000844306517 900696193 /nfs/dbraw/zinc/69/61/93/900696193.db2.gz LSWUSVZEBBNNMK-KRWDZBQOSA-N 1 0 390.484 3.838 20 30 GHEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000844354231 900753288 /nfs/dbraw/zinc/75/32/88/900753288.db2.gz IMFVXGSTQJNUCX-KRWDZBQOSA-N 1 0 387.524 3.967 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC(C)(C)C#N)C1 ZINC000844458717 900886764 /nfs/dbraw/zinc/88/67/64/900886764.db2.gz GJWXIOPHRRSULK-KURKYZTESA-N 1 0 379.545 3.853 20 30 GHEDRO C[C@@H]1CC2(C[N@@H+]1C[C@H](O)CC1(C#N)CCC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000886252073 900909868 /nfs/dbraw/zinc/90/98/68/900909868.db2.gz SLJPJAPXABAOJI-QZTJIDSGSA-N 1 0 391.556 3.543 20 30 GHEDRO COC[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCCOC1 ZINC000886359767 900955081 /nfs/dbraw/zinc/95/50/81/900955081.db2.gz JOPJEDQNWSPMIQ-GMAHTHKFSA-N 1 0 380.488 3.668 20 30 GHEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000886362916 900956781 /nfs/dbraw/zinc/95/67/81/900956781.db2.gz SEIKAYRQMQBBFB-CVEARBPZSA-N 1 0 381.501 3.673 20 30 GHEDRO C#CCC1([NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)CCOCC1 ZINC000886381418 900968263 /nfs/dbraw/zinc/96/82/63/900968263.db2.gz BIXSFGCYJOMDNV-UHFFFAOYSA-N 1 0 384.476 3.541 20 30 GHEDRO N#Cc1cncc(C[NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)c1 ZINC001144080544 901048690 /nfs/dbraw/zinc/04/86/90/901048690.db2.gz PTUFIGUIBQFVNF-UHFFFAOYSA-N 1 0 398.510 3.506 20 30 GHEDRO Cc1ccc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1F ZINC000844596233 901061499 /nfs/dbraw/zinc/06/14/99/901061499.db2.gz ICARGAYYSLLUIL-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000574961760 901073685 /nfs/dbraw/zinc/07/36/85/901073685.db2.gz GHRWXMXFDGNFBD-UHFFFAOYSA-N 1 0 394.567 3.542 20 30 GHEDRO COc1ccc([C@@H](C[N@H+](C)Cc2ccc(C#N)cn2)C2(O)CCCCC2)cc1 ZINC001144163658 901141824 /nfs/dbraw/zinc/14/18/24/901141824.db2.gz PVAANKBREWIELR-JOCHJYFZSA-N 1 0 379.504 3.873 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCN(C)c1ccccc1 ZINC000303248329 914509599 /nfs/dbraw/zinc/50/95/99/914509599.db2.gz BGSYONLHSZGZGM-SFHVURJKSA-N 1 0 382.483 3.529 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000844716535 901193682 /nfs/dbraw/zinc/19/36/82/901193682.db2.gz HLZUBZXKBUKAJI-JOCHJYFZSA-N 1 0 375.451 3.885 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000844713693 901193737 /nfs/dbraw/zinc/19/37/37/901193737.db2.gz DIVFJYDIVBPMFH-HRCADAONSA-N 1 0 382.895 3.730 20 30 GHEDRO C=CCOc1cc(OC)ccc1-c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000575365419 901213072 /nfs/dbraw/zinc/21/30/72/901213072.db2.gz WUROYCBHGSRNFK-UHFFFAOYSA-N 1 0 395.459 3.917 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(C#N)cc1 ZINC000886749232 901253564 /nfs/dbraw/zinc/25/35/64/901253564.db2.gz MNXXNGXLSULNPM-QFIPXVFZSA-N 1 0 376.504 3.501 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1)C(C)C ZINC001144204017 901281896 /nfs/dbraw/zinc/28/18/96/901281896.db2.gz HNAHAAPSEKFDQE-CVDCTZTESA-N 1 0 390.568 3.869 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979116 901369972 /nfs/dbraw/zinc/36/99/72/901369972.db2.gz ABRNPAKQYAQYLQ-MRXNPFEDSA-N 1 0 387.549 3.694 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C/SCc3ccco3)CC2)c1 ZINC000845002784 901633540 /nfs/dbraw/zinc/63/35/40/901633540.db2.gz NHCWNQYATGWNMT-XYOKQWHBSA-N 1 0 381.501 3.679 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000576434606 902019100 /nfs/dbraw/zinc/01/91/00/902019100.db2.gz YALXIJMTGFGYSC-AZUAARDMSA-N 1 0 392.551 3.634 20 30 GHEDRO C=C[C@H](C)ONC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000845629465 902285059 /nfs/dbraw/zinc/28/50/59/902285059.db2.gz DAHBDVWTKOKWMA-LXZKKBNFSA-N 1 0 385.430 3.894 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCc4csc(C)n4)CC[C@H]32)cc1 ZINC001144572051 902403833 /nfs/dbraw/zinc/40/38/33/902403833.db2.gz ODYNVBNXBBGDGL-YPAWHYETSA-N 1 0 382.529 3.772 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(-c2ccc(C#N)cc2)n1 ZINC000577249336 902617718 /nfs/dbraw/zinc/61/77/18/902617718.db2.gz LNCUFNKQUOTPIN-XMMPIXPASA-N 1 0 384.483 3.928 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC2CCOCC2)c1 ZINC000263911235 902675921 /nfs/dbraw/zinc/67/59/21/902675921.db2.gz LILNJUCHKDIQNI-UHFFFAOYSA-O 1 0 389.928 3.643 20 30 GHEDRO CCOCc1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)ccc1OC ZINC000846106777 902719318 /nfs/dbraw/zinc/71/93/18/902719318.db2.gz JCHBXFHALLXNAK-UHFFFAOYSA-N 1 0 393.531 3.858 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001171215776 902751417 /nfs/dbraw/zinc/75/14/17/902751417.db2.gz DPCGVWJOHLSLFS-DYESRHJHSA-N 1 0 397.473 3.517 20 30 GHEDRO CN1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726359 902848620 /nfs/dbraw/zinc/84/86/20/902848620.db2.gz SOIBRNPMPFDTHP-NEWSRXKRSA-N 1 0 395.469 3.733 20 30 GHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600729321 902851482 /nfs/dbraw/zinc/85/14/82/902851482.db2.gz XQDYKKMHVMIHOV-KDOFPFPSSA-N 1 0 378.394 3.538 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000600736575 902858863 /nfs/dbraw/zinc/85/88/63/902858863.db2.gz RJCWJIHPUNBXIX-SZMVWBNQSA-N 1 0 382.426 3.612 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000264216485 902932311 /nfs/dbraw/zinc/93/23/11/902932311.db2.gz JZSWHHVBNGQSKO-UHFFFAOYSA-N 1 0 397.519 3.658 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000577632353 902977090 /nfs/dbraw/zinc/97/70/90/902977090.db2.gz HCSFJEUUWAWHOB-QGZVFWFLSA-N 1 0 399.505 3.907 20 30 GHEDRO CC(C)(C)C[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001171231096 903039702 /nfs/dbraw/zinc/03/97/02/903039702.db2.gz PEDZIDCFEOLJKH-QGZVFWFLSA-N 1 0 380.454 3.931 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC000887611293 903130803 /nfs/dbraw/zinc/13/08/03/903130803.db2.gz YUOOIXSJZUOUKV-UHFFFAOYSA-N 1 0 377.463 3.925 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000264875009 903444560 /nfs/dbraw/zinc/44/45/60/903444560.db2.gz PKROXDIJIRTSBV-HOTGVXAUSA-N 1 0 397.544 3.521 20 30 GHEDRO O=C(c1cccc(Cl)c1)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134222469 903482747 /nfs/dbraw/zinc/48/27/47/903482747.db2.gz FMHNDRQRQIUBFU-QGZVFWFLSA-O 1 0 389.928 3.725 20 30 GHEDRO COC(=O)c1cc2ncoc2c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171277334 903529787 /nfs/dbraw/zinc/52/97/87/903529787.db2.gz LGXHRYKQBVVKTK-UHFFFAOYSA-N 1 0 390.443 3.585 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)C[NH+](C)C ZINC001146419201 903533820 /nfs/dbraw/zinc/53/38/20/903533820.db2.gz CEPJNUSYBJTANJ-KRWDZBQOSA-N 1 0 383.577 3.720 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCc2nnc3n2CCCCC3)c(C(F)(F)F)c1 ZINC000578178524 903590183 /nfs/dbraw/zinc/59/01/83/903590183.db2.gz XUFMGBHHEJXTCK-UHFFFAOYSA-N 1 0 377.414 3.617 20 30 GHEDRO CN(C(=O)Nc1ccc(CC#N)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000578245235 903648631 /nfs/dbraw/zinc/64/86/31/903648631.db2.gz HPNIUGNIFMWMPW-UHFFFAOYSA-N 1 0 378.476 3.896 20 30 GHEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001171305960 903796133 /nfs/dbraw/zinc/79/61/33/903796133.db2.gz DZGYZEAQBZHQQF-GGAORHGYSA-N 1 0 382.479 3.729 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000887770375 903819767 /nfs/dbraw/zinc/81/97/67/903819767.db2.gz PJNPASBTGJZEIE-UHFFFAOYSA-N 1 0 388.515 3.964 20 30 GHEDRO COc1ccc(CN2CC[C@@H]2C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC001147578747 903826787 /nfs/dbraw/zinc/82/67/87/903826787.db2.gz PJSHIYMQLPCQMC-XPWALMASSA-N 1 0 389.499 3.568 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000772984514 903863084 /nfs/dbraw/zinc/86/30/84/903863084.db2.gz OEPDDQHXYRZREG-BEFAXECRSA-N 1 0 396.447 3.783 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001147969945 903922755 /nfs/dbraw/zinc/92/27/55/903922755.db2.gz NUJIHPNCVHZBEJ-FQEVSTJZSA-N 1 0 377.463 3.616 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001148466527 904078928 /nfs/dbraw/zinc/07/89/28/904078928.db2.gz RTFPQRMORYKVJV-KRWDZBQOSA-N 1 0 382.508 3.505 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000578849770 904179147 /nfs/dbraw/zinc/17/91/47/904179147.db2.gz RFDNWZMLSOXUNV-LPHOPBHVSA-N 1 0 386.496 3.641 20 30 GHEDRO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1C#N ZINC001148775326 904206716 /nfs/dbraw/zinc/20/67/16/904206716.db2.gz SLHHTKSZYCSKBV-NRFANRHFSA-N 1 0 377.488 3.912 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ncccc2Cl)c(-c2ccccc2)n1 ZINC000152077853 904232187 /nfs/dbraw/zinc/23/21/87/904232187.db2.gz RZSOVDCEALLJNV-UHFFFAOYSA-N 1 0 381.867 3.681 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171371569 904373880 /nfs/dbraw/zinc/37/38/80/904373880.db2.gz PBGDBLQZTDPSQE-BVYCBKJFSA-N 1 0 377.475 3.896 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)cc1C#N ZINC000773073639 904415036 /nfs/dbraw/zinc/41/50/36/904415036.db2.gz DOIOZXQRWJUGII-OAHLLOKOSA-N 1 0 385.895 3.747 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001171544870 904773992 /nfs/dbraw/zinc/77/39/92/904773992.db2.gz GMGLPCNJYDHDIF-HXUWFJFHSA-N 1 0 379.479 3.924 20 30 GHEDRO C=CCCC[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000889937712 904848862 /nfs/dbraw/zinc/84/88/62/904848862.db2.gz JQTVGKZUYXYFKN-HSZRJFAPSA-N 1 0 398.595 3.753 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000188884159 905000331 /nfs/dbraw/zinc/00/03/31/905000331.db2.gz KQRRDEXSNWWOJX-UHFFFAOYSA-N 1 0 399.416 3.519 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000509524799 905029425 /nfs/dbraw/zinc/02/94/25/905029425.db2.gz IWCJIXTZTFNYHO-SFHVURJKSA-N 1 0 385.527 3.945 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC001171920573 905149562 /nfs/dbraw/zinc/14/95/62/905149562.db2.gz JCOWYEIWEKPUEI-FUHWJXTLSA-N 1 0 384.442 3.968 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000173886223 905154972 /nfs/dbraw/zinc/15/49/72/905154972.db2.gz XLLVPHCLHLZGJL-IRXDYDNUSA-N 1 0 378.476 3.631 20 30 GHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(N(C)CCC#N)cc3)ccc2NC1=O ZINC000174139343 905209316 /nfs/dbraw/zinc/20/93/16/905209316.db2.gz ZKTYGOYMJQKKDQ-HRAATJIYSA-N 1 0 392.503 3.997 20 30 GHEDRO N#Cc1ccc(CNCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000174266787 905238338 /nfs/dbraw/zinc/23/83/38/905238338.db2.gz ONVHYWHTHXUZRX-UHFFFAOYSA-N 1 0 386.499 3.763 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000174478961 905279666 /nfs/dbraw/zinc/27/96/66/905279666.db2.gz GAYWMQOBQIEIRO-SFHVURJKSA-N 1 0 377.488 3.551 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090932 905312133 /nfs/dbraw/zinc/31/21/33/905312133.db2.gz XXBGVNJVZAFPAC-LUKWVAJMSA-N 1 0 397.563 3.949 20 30 GHEDRO COC(=O)C1(c2ccc(Cl)cc2)CCC(NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001172212370 905413416 /nfs/dbraw/zinc/41/34/16/905413416.db2.gz RFNQWAGNUQDAOJ-UHFFFAOYSA-N 1 0 389.858 3.633 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001172302839 905454839 /nfs/dbraw/zinc/45/48/39/905454839.db2.gz RRAJEMNMKSSLKL-YJBOKZPZSA-N 1 0 393.478 3.971 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001172304026 905457389 /nfs/dbraw/zinc/45/73/89/905457389.db2.gz JWQGQAKGSMEZBV-VEXUSMLFSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001172304802 905459121 /nfs/dbraw/zinc/45/91/21/905459121.db2.gz PUTNYRTYOAAVMF-RKNIQEAPSA-N 1 0 391.515 3.723 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001172305161 905459649 /nfs/dbraw/zinc/45/96/49/905459649.db2.gz QPGTYOZSTKMYLT-UZUQRXQVSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001172307670 905463287 /nfs/dbraw/zinc/46/32/87/905463287.db2.gz IOFMATPPWUWVQL-PGRDOPGGSA-N 1 0 379.548 3.898 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001172310299 905467180 /nfs/dbraw/zinc/46/71/80/905467180.db2.gz YAJPXWAAYKHOFB-CYFREDJKSA-N 1 0 388.515 3.541 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001172313197 905469199 /nfs/dbraw/zinc/46/91/99/905469199.db2.gz RCWQOAGLPWYGCD-QGZVFWFLSA-N 1 0 382.529 3.772 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001172290670 905480450 /nfs/dbraw/zinc/48/04/50/905480450.db2.gz RCWBMKNGKPCPSX-VRXWPRPYSA-N 1 0 383.536 3.972 20 30 GHEDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c(Br)c1 ZINC001172297575 905484018 /nfs/dbraw/zinc/48/40/18/905484018.db2.gz GFKVGTKMEDTJLW-ZDUSSCGKSA-N 1 0 387.277 3.828 20 30 GHEDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)c(Br)c1 ZINC001172297573 905484430 /nfs/dbraw/zinc/48/44/30/905484430.db2.gz GFKVGTKMEDTJLW-CYBMUJFWSA-N 1 0 387.277 3.828 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCOC[C@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001172354721 905524323 /nfs/dbraw/zinc/52/43/23/905524323.db2.gz KLDUDALEKKCHPG-IFMALSPDSA-N 1 0 382.589 3.711 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001172358247 905526921 /nfs/dbraw/zinc/52/69/21/905526921.db2.gz OFBVAKDDJSLNHM-WTGUMLROSA-N 1 0 388.556 3.749 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1Cc2c(-c3cnn(C)c3)nnn2C[C@H]1COC ZINC001172359601 905528291 /nfs/dbraw/zinc/52/82/91/905528291.db2.gz YXDCEVAMIQOHGM-MOPGFXCFSA-N 1 0 388.560 3.648 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC2(CC1)c1cc(Br)ccc1NC2=O ZINC001172497703 905599817 /nfs/dbraw/zinc/59/98/17/905599817.db2.gz DTEGICUNXMMZAZ-CYBMUJFWSA-N 1 0 376.298 3.817 20 30 GHEDRO CCCCCCCC[C@@H](CC)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001172503819 905601805 /nfs/dbraw/zinc/60/18/05/905601805.db2.gz BQQRUTKQRYAZIG-MRXNPFEDSA-N 1 0 385.574 3.611 20 30 GHEDRO C#CCC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172684323 905735175 /nfs/dbraw/zinc/73/51/75/905735175.db2.gz ONZIQUFVQQAUKC-FQEVSTJZSA-N 1 0 382.529 3.508 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321562 905815635 /nfs/dbraw/zinc/81/56/35/905815635.db2.gz BTYFFUPMKDJXEZ-IPELMVKDSA-N 1 0 375.900 3.676 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCC[C@@H](C(=O)OC)CC1)[C@H]2CC ZINC001172795064 905835756 /nfs/dbraw/zinc/83/57/56/905835756.db2.gz IQGAIPUPGQKJQZ-GHDARCQNSA-N 1 0 376.541 3.530 20 30 GHEDRO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)CC2 ZINC001172829896 905859321 /nfs/dbraw/zinc/85/93/21/905859321.db2.gz ACAAKEUAURKAHM-WIOPSUGQSA-N 1 0 385.511 3.853 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172906007 905930717 /nfs/dbraw/zinc/93/07/17/905930717.db2.gz FMHCGXWUZRJVGC-REWPJTCUSA-N 1 0 397.519 3.875 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@H]1C#N ZINC001172968816 906029123 /nfs/dbraw/zinc/02/91/23/906029123.db2.gz OSIGRWLHLWUKMT-JKIFEVAISA-N 1 0 375.444 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)C[C@H]1C#N ZINC001172969922 906031757 /nfs/dbraw/zinc/03/17/57/906031757.db2.gz ZGCPIRPJVXXANO-OLZOCXBDSA-N 1 0 385.842 3.999 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1OC ZINC000628272818 906035294 /nfs/dbraw/zinc/03/52/94/906035294.db2.gz ZIAMDCZNZRFVDU-UONOGXRCSA-N 1 0 393.833 3.906 20 30 GHEDRO COc1ccc(CC2([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CC2)cc1 ZINC001172975230 906040060 /nfs/dbraw/zinc/04/00/60/906040060.db2.gz XQYBALXVGHXQTM-MSOLQXFVSA-N 1 0 385.508 3.652 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C2 ZINC001172958656 906066014 /nfs/dbraw/zinc/06/60/14/906066014.db2.gz MMYYKIDKECLUKJ-WOIUINJBSA-N 1 0 396.572 3.706 20 30 GHEDRO [NH2+]=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001172993433 906103787 /nfs/dbraw/zinc/10/37/87/906103787.db2.gz JNWWONLKIXESGC-UHFFFAOYSA-N 1 0 393.384 3.855 20 30 GHEDRO COc1ccc2c(c1)C[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CCC2 ZINC001172994047 906105615 /nfs/dbraw/zinc/10/56/15/906105615.db2.gz QOIUVUMNFSERSJ-MOPGFXCFSA-N 1 0 385.508 3.735 20 30 GHEDRO C[C@H]1CC[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CN1C(=O)OC(C)(C)C ZINC001173051854 906124052 /nfs/dbraw/zinc/12/40/52/906124052.db2.gz AFTMGQXKOVQRPX-YJBOKZPZSA-N 1 0 382.508 3.975 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000190562961 906130512 /nfs/dbraw/zinc/13/05/12/906130512.db2.gz UGONNAHCTNRIBD-INIZCTEOSA-N 1 0 397.350 3.522 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000177441329 906132637 /nfs/dbraw/zinc/13/26/37/906132637.db2.gz QKPVAKLNAIFRQS-UHFFFAOYSA-N 1 0 393.487 3.867 20 30 GHEDRO C=CCOC1CCC([NH2+]CCCOC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001173308454 906363003 /nfs/dbraw/zinc/36/30/03/906363003.db2.gz KWUSAZNDHYHFPG-UHFFFAOYSA-N 1 0 396.572 3.896 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)CC1 ZINC001173327030 906372659 /nfs/dbraw/zinc/37/26/59/906372659.db2.gz BKWXZEZNBPDWSB-UHFFFAOYSA-N 1 0 384.446 3.521 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](C[NH2+]C3CCC(CC#N)CC3)CO2)CC1 ZINC001173325867 906373697 /nfs/dbraw/zinc/37/36/97/906373697.db2.gz PAUIKRCFVIGAPB-XBMUEBEBSA-N 1 0 391.556 3.855 20 30 GHEDRO Cc1nc(COC[C@@H]2Cn3nccc3C[N@@H+](C3CCC(CC#N)CC3)C2)cs1 ZINC001173333147 906378222 /nfs/dbraw/zinc/37/82/22/906378222.db2.gz LBYOCQBJKDSUQN-FDYSRKEFSA-N 1 0 399.564 3.769 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3COc4ccc(Cl)cc43)CC2)cc1 ZINC001173428931 906464939 /nfs/dbraw/zinc/46/49/39/906464939.db2.gz XZMZJUPOCUHZND-IBGZPJMESA-N 1 0 381.863 3.540 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCCc4c(F)cccc43)CC2)cc1 ZINC001173428862 906465091 /nfs/dbraw/zinc/46/50/91/906465091.db2.gz XNGBLNVYXLZXMA-QFIPXVFZSA-N 1 0 377.463 3.969 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]([NH2+]C3CCC(C)(C#N)CC3)CO2)C1 ZINC001173588266 906545337 /nfs/dbraw/zinc/54/53/37/906545337.db2.gz AKNXLXOTMRYADM-BWGXQHLSSA-N 1 0 377.529 3.607 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001173594396 906547472 /nfs/dbraw/zinc/54/74/72/906547472.db2.gz BTKFXGNKDLOPPD-BFGUNEOZSA-N 1 0 375.538 3.612 20 30 GHEDRO Cc1nc(CN2CC[C@]3(CCC[N@@H+](C4CCC(C)(C#N)CC4)C3)C2=O)cs1 ZINC001173595482 906548848 /nfs/dbraw/zinc/54/88/48/906548848.db2.gz ZIJQYPKQXQOSNP-MNLRITNHSA-N 1 0 386.565 3.739 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CC1 ZINC001173595028 906549271 /nfs/dbraw/zinc/54/92/71/906549271.db2.gz QCFQJBOAJLNAAL-FULISQOKSA-N 1 0 395.547 3.902 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1nc2ccccc2n1C(F)F ZINC000299199563 921247898 /nfs/dbraw/zinc/24/78/98/921247898.db2.gz FOCMEWFSDOWHKQ-CYBMUJFWSA-N 1 0 383.402 3.982 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C#N)c1C ZINC000179778633 906595567 /nfs/dbraw/zinc/59/55/67/906595567.db2.gz BPASXJYBUWWJHG-ZIAGYGMSSA-N 1 0 394.475 3.794 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001173683873 906624214 /nfs/dbraw/zinc/62/42/14/906624214.db2.gz IWBFXADSTZZDKE-ZACQAIPSSA-N 1 0 395.544 3.540 20 30 GHEDRO N#CCC[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000180366993 906755750 /nfs/dbraw/zinc/75/57/50/906755750.db2.gz IIBYSVIQMFSEIK-OAQYLSRUSA-N 1 0 377.492 3.642 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000191234563 906780445 /nfs/dbraw/zinc/78/04/45/906780445.db2.gz GEFFKKPSAVMWQM-GOSISDBHSA-N 1 0 378.394 3.753 20 30 GHEDRO CCN(CC)C(=O)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1 ZINC001174064581 906785606 /nfs/dbraw/zinc/78/56/06/906785606.db2.gz IDERWQWJNQBKJQ-UHFFFAOYSA-N 1 0 391.519 3.536 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(F)c1Br ZINC001276007785 921269813 /nfs/dbraw/zinc/26/98/13/921269813.db2.gz DQXAPPUKGDAVLT-HZPDHXFCSA-N 1 0 381.289 3.730 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(Cn4cccn4)c3)CC2)cc1 ZINC000181547880 907023128 /nfs/dbraw/zinc/02/31/28/907023128.db2.gz KJMHITRYIBCPOS-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181604126 907036073 /nfs/dbraw/zinc/03/60/73/907036073.db2.gz MMTQOKBRGSTCON-UHFFFAOYSA-N 1 0 393.487 3.581 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(Nc2sc3c(c2C#N)CCCC3)cc1 ZINC001175818648 907775422 /nfs/dbraw/zinc/77/54/22/907775422.db2.gz CNPJGLQTNRGTCI-UHFFFAOYSA-N 1 0 382.533 3.924 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185723398 907823536 /nfs/dbraw/zinc/82/35/36/907823536.db2.gz CKODEGHSKFAKON-NHCUHLMSSA-N 1 0 396.579 3.793 20 30 GHEDRO CC(C)(C)OCc1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)no1 ZINC000185953229 907856487 /nfs/dbraw/zinc/85/64/87/907856487.db2.gz ADZDOSPAJJJDGS-UHFFFAOYSA-N 1 0 386.374 3.815 20 30 GHEDRO C[C@]1(C2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)COC(=O)N1 ZINC001176209386 907984832 /nfs/dbraw/zinc/98/48/32/907984832.db2.gz CBRSWQIIUDTGJT-HSZRJFAPSA-N 1 0 375.472 3.936 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000186970983 908012973 /nfs/dbraw/zinc/01/29/73/908012973.db2.gz DDSPSVUKXKNTLU-UHFFFAOYSA-O 1 0 386.497 3.908 20 30 GHEDRO COCC[N@H+]1[C@H](C)CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000193076828 908070574 /nfs/dbraw/zinc/07/05/74/908070574.db2.gz ACZDOQFLALWKQR-SZPZYZBQSA-N 1 0 391.559 3.927 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187969979 908162251 /nfs/dbraw/zinc/16/22/51/908162251.db2.gz DDXBTZXIPWGQBM-TWOQFEAHSA-N 1 0 375.538 3.502 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC001176814199 908265545 /nfs/dbraw/zinc/26/55/45/908265545.db2.gz LKYWYQZTKMZOOT-PGRDOPGGSA-N 1 0 385.508 3.706 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000773627308 908473408 /nfs/dbraw/zinc/47/34/08/908473408.db2.gz KCAIDCXNBIIVMW-SFHVURJKSA-N 1 0 393.572 3.523 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000773627303 908473580 /nfs/dbraw/zinc/47/35/80/908473580.db2.gz KCAIDCXNBIIVMW-GOSISDBHSA-N 1 0 393.572 3.523 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC001177415848 908569138 /nfs/dbraw/zinc/56/91/38/908569138.db2.gz CVNYLCGFLWGTLT-UHFFFAOYSA-N 1 0 385.471 3.561 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC001177506439 908606668 /nfs/dbraw/zinc/60/66/68/908606668.db2.gz NRATWNLHAWGIIY-UHFFFAOYSA-N 1 0 385.533 3.542 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191627289 908653003 /nfs/dbraw/zinc/65/30/03/908653003.db2.gz SRIHWVHUAHLHRA-KRWDZBQOSA-N 1 0 380.467 3.735 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000634374092 908695082 /nfs/dbraw/zinc/69/50/82/908695082.db2.gz CLIHBYKNLOCLPL-OAQYLSRUSA-N 1 0 387.572 3.725 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000773698871 908696461 /nfs/dbraw/zinc/69/64/61/908696461.db2.gz DIBDFYRDDVEVNS-PWRODBHTSA-N 1 0 383.536 3.769 20 30 GHEDRO C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634378553 908697834 /nfs/dbraw/zinc/69/78/34/908697834.db2.gz OYHYSBHGNAOFPN-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000193792533 908715292 /nfs/dbraw/zinc/71/52/92/908715292.db2.gz YAJHHOVYHJABTM-IBGZPJMESA-N 1 0 394.515 3.684 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000192083021 908718313 /nfs/dbraw/zinc/71/83/13/908718313.db2.gz RUSUEBGXTOHHSR-WMZOPIPTSA-N 1 0 391.830 3.619 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000192093321 908721088 /nfs/dbraw/zinc/72/10/88/908721088.db2.gz SZDBLESJCJLVQD-YXKWSERDSA-N 1 0 387.842 3.798 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001177912534 908800065 /nfs/dbraw/zinc/80/00/65/908800065.db2.gz QTFDSRVWJBKGKV-HKBOAZHASA-N 1 0 393.556 3.801 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCO2)C(=S)N[C@@H](C)CC ZINC000194971850 908945853 /nfs/dbraw/zinc/94/58/53/908945853.db2.gz XUYCDIMDAQLKRT-HNNXBMFYSA-O 1 0 383.537 3.798 20 30 GHEDRO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000266473743 909182513 /nfs/dbraw/zinc/18/25/13/909182513.db2.gz UZHZSEFUHXOFMA-WIYYLYMNSA-N 1 0 376.504 3.783 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000266750046 909286746 /nfs/dbraw/zinc/28/67/46/909286746.db2.gz NVCIWIIVOOGLDY-GOSISDBHSA-N 1 0 379.508 3.541 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=S ZINC000245441065 909647258 /nfs/dbraw/zinc/64/72/58/909647258.db2.gz HAKADASYHSHNMW-CVEARBPZSA-N 1 0 387.528 3.532 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cc(F)c(C)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000267882939 909680131 /nfs/dbraw/zinc/68/01/31/909680131.db2.gz OWWDDMUMGYYNRL-UHFFFAOYSA-O 1 0 392.495 3.565 20 30 GHEDRO COc1ccc(C[NH2+]CCOc2ncccc2Cl)cc1OCCCC#N ZINC000268436695 909878356 /nfs/dbraw/zinc/87/83/56/909878356.db2.gz QPISLJNLWSWSRO-UHFFFAOYSA-N 1 0 375.856 3.595 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2csc(N(C(C)=O)c3ccccc3)n2)CC1 ZINC000638524650 910170757 /nfs/dbraw/zinc/17/07/57/910170757.db2.gz QHTCNZAMBAIBPF-UHFFFAOYSA-N 1 0 384.549 3.958 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(-c2ccccc2)n1 ZINC000269340062 910225263 /nfs/dbraw/zinc/22/52/63/910225263.db2.gz OTGXZNJHRRZTHA-HXUWFJFHSA-N 1 0 396.560 3.998 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000299664590 921561602 /nfs/dbraw/zinc/56/16/02/921561602.db2.gz LWQMNRDTJAGDOD-GFCCVEGCSA-N 1 0 384.461 3.696 20 30 GHEDRO C[C@@H](OC(=O)C1CC[NH+](C2CC2)CC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000801870902 921563189 /nfs/dbraw/zinc/56/31/89/921563189.db2.gz BPGGOUJPHSJDID-QFNCUCFLSA-N 1 0 396.531 3.673 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271522924 910943228 /nfs/dbraw/zinc/94/32/28/910943228.db2.gz JLOLGRVREDYFDZ-UHFFFAOYSA-N 1 0 393.491 3.732 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000273900635 911094792 /nfs/dbraw/zinc/09/47/92/911094792.db2.gz PGMRAGROIFYZAM-OAHLLOKOSA-N 1 0 378.432 3.689 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)CC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC001182040578 911142743 /nfs/dbraw/zinc/14/27/43/911142743.db2.gz JXEBOAGHUDNSQK-UHFFFAOYSA-N 1 0 390.487 3.757 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000092092288 911396239 /nfs/dbraw/zinc/39/62/39/911396239.db2.gz VSEGSRCFXWBXKH-HKUYNNGSSA-N 1 0 378.438 3.803 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000283459112 911517155 /nfs/dbraw/zinc/51/71/55/911517155.db2.gz JCCXDBUHUXYSGO-RTBURBONSA-N 1 0 380.540 3.617 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(C)nn2C)cc1OCC ZINC000283817075 911659520 /nfs/dbraw/zinc/65/95/20/911659520.db2.gz DTRJQNWEIYYGMK-UHFFFAOYSA-N 1 0 394.313 3.744 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000774395730 911707688 /nfs/dbraw/zinc/70/76/88/911707688.db2.gz JUGCRDZSXSZJSH-GDBMZVCRSA-N 1 0 377.406 3.618 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001182581623 911883866 /nfs/dbraw/zinc/88/38/66/911883866.db2.gz QNAJURRMDXZUDS-OFNKIYASSA-N 1 0 398.510 3.705 20 30 GHEDRO COc1cccc(CN(C(=O)[C@@H](C)c2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001182797569 912029018 /nfs/dbraw/zinc/02/90/18/912029018.db2.gz BFTDAICYUDVLNM-HSQYWUDLSA-N 1 0 391.515 3.969 20 30 GHEDRO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000093078614 912048758 /nfs/dbraw/zinc/04/87/58/912048758.db2.gz WCIMGDUQTANTDL-RBUKOAKNSA-N 1 0 379.504 3.865 20 30 GHEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000796354129 914900531 /nfs/dbraw/zinc/90/05/31/914900531.db2.gz WHWAKLTXJHAIKQ-WPGHFRTFSA-N 1 0 388.817 3.846 20 30 GHEDRO COc1cccc(NC(=[NH2+])NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000303778847 915123817 /nfs/dbraw/zinc/12/38/17/915123817.db2.gz JZJXKXRVUDYDKK-UHFFFAOYSA-N 1 0 381.476 3.705 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(F)cc2C(F)(F)F)cc1OC ZINC000303783650 915127500 /nfs/dbraw/zinc/12/75/00/915127500.db2.gz OLNNMPDPPUYTCE-UHFFFAOYSA-N 1 0 399.388 3.509 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCCN1CCCCCC1=O)c1ccc(Cl)cc1Cl ZINC000303787029 915127741 /nfs/dbraw/zinc/12/77/41/915127741.db2.gz SADXOEUJZIWNRS-CYBMUJFWSA-N 1 0 385.339 3.751 20 30 GHEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)N2CCOCC2)cc1 ZINC000303788379 915129668 /nfs/dbraw/zinc/12/96/68/915129668.db2.gz UGLLOUMZFVAEFX-QFIPXVFZSA-N 1 0 396.535 3.619 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc3ccc(Br)cc3[nH]2)C1=O ZINC001275598509 915206799 /nfs/dbraw/zinc/20/67/99/915206799.db2.gz QFRNMRLLGPCBOT-LJQANCHMSA-N 1 0 388.309 3.683 20 30 GHEDRO COCC1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 ZINC000291643320 915294360 /nfs/dbraw/zinc/29/43/60/915294360.db2.gz BTYOIQCNYUEMDM-UHFFFAOYSA-N 1 0 380.488 3.670 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(Oc3ccc(F)cc3)nc2)cc1OC ZINC000303904395 915304767 /nfs/dbraw/zinc/30/47/67/915304767.db2.gz UVZNXNLTSAAUGF-UHFFFAOYSA-N 1 0 396.422 3.957 20 30 GHEDRO CCCCCCNC(=[NH2+])NCCC(=O)Nc1ccc(Br)cc1C ZINC000303984582 915349182 /nfs/dbraw/zinc/34/91/82/915349182.db2.gz SHERMEXWDVKBEJ-UHFFFAOYSA-N 1 0 383.334 3.571 20 30 GHEDRO [NH2+]=C(NCc1ccnc(-n2cccn2)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000304464150 915516768 /nfs/dbraw/zinc/51/67/68/915516768.db2.gz AIOIPVNPRVOVGN-UHFFFAOYSA-N 1 0 384.443 3.986 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC2CCC2)cc1 ZINC000292318195 915615455 /nfs/dbraw/zinc/61/54/55/915615455.db2.gz MBRLTKCIBHDQPF-UHFFFAOYSA-O 1 0 398.508 3.916 20 30 GHEDRO COc1cccc(NC(=[NH2+])NCc2ccccc2CN(C)Cc2ccco2)c1 ZINC000304814258 915722245 /nfs/dbraw/zinc/72/22/45/915722245.db2.gz ZNVCMMRGCOAPST-UHFFFAOYSA-N 1 0 378.476 3.847 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000304998932 915818332 /nfs/dbraw/zinc/81/83/32/915818332.db2.gz AUCAVSZPNXQODA-SJLPKXTDSA-N 1 0 385.508 3.765 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1(CO)CCC1 ZINC000292960956 915922157 /nfs/dbraw/zinc/92/21/57/915922157.db2.gz FSAWBNSHPPNHMS-JXFKEZNVSA-N 1 0 389.565 3.796 20 30 GHEDRO C#Cc1ccc(C(=O)N(c2cc(OC)cc3cccnc32)[C@@H](C)CCC[NH3+])cc1 ZINC001188739704 916168463 /nfs/dbraw/zinc/16/84/63/916168463.db2.gz OLXDINRDKWSCLA-KRWDZBQOSA-N 1 0 387.483 3.999 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(Br)cc3F)C2)C1=O ZINC001275725507 916436764 /nfs/dbraw/zinc/43/67/64/916436764.db2.gz ZWEBIFVSNOFPRP-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO CCC(=O)c1cccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000650091866 916717657 /nfs/dbraw/zinc/71/76/57/916717657.db2.gz MQKRHHRUERHCOS-UHFFFAOYSA-N 1 0 390.487 3.937 20 30 GHEDRO Cc1cccc(OCCn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001189779035 916913937 /nfs/dbraw/zinc/91/39/37/916913937.db2.gz AIVKXHLESUMBFF-UHFFFAOYSA-N 1 0 399.494 3.666 20 30 GHEDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1)C(N)=O ZINC000294765588 916965517 /nfs/dbraw/zinc/96/55/17/916965517.db2.gz JPLCPAZAWQFPRF-GOSISDBHSA-N 1 0 393.535 3.577 20 30 GHEDRO Cc1cccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1C#N ZINC001190031918 917067249 /nfs/dbraw/zinc/06/72/49/917067249.db2.gz IKVSACQAKZNVPS-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c(OCCC)c(OC)c1)[C@H]1CCCO1 ZINC000775343630 917070793 /nfs/dbraw/zinc/07/07/93/917070793.db2.gz XAUXWRIFIBFMAB-HZPDHXFCSA-N 1 0 382.298 3.517 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)c(OCCC)c(OC)c1)[C@@H]1CCCO1 ZINC000775343628 917071178 /nfs/dbraw/zinc/07/11/78/917071178.db2.gz XAUXWRIFIBFMAB-HOTGVXAUSA-N 1 0 382.298 3.517 20 30 GHEDRO C=C[C@H](CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000650538552 917076753 /nfs/dbraw/zinc/07/67/53/917076753.db2.gz MWAWGMOEMXRRGK-GMKZXUHWSA-N 1 0 390.527 3.848 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccc(-n3cccc3)nc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001190402182 917302216 /nfs/dbraw/zinc/30/22/16/917302216.db2.gz GMVAIHRBSKWAIN-HZCBDIJESA-N 1 0 399.498 3.656 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2Cc2ccc(OC)cc2)CC1 ZINC000650852004 917303098 /nfs/dbraw/zinc/30/30/98/917303098.db2.gz MMNDOAPNHAUBKB-NRFANRHFSA-N 1 0 385.552 3.842 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CCc2ccc(F)cc2)CC(C)C)c1 ZINC001190617130 917423411 /nfs/dbraw/zinc/42/34/11/917423411.db2.gz WEPDHUMQZJAERP-UHFFFAOYSA-N 1 0 395.478 3.656 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)c1ccccc1 ZINC000775398290 917442841 /nfs/dbraw/zinc/44/28/41/917442841.db2.gz FSKNFWREJCKDGP-XLIONFOSSA-N 1 0 380.488 3.625 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000651273488 917561373 /nfs/dbraw/zinc/56/13/73/917561373.db2.gz OLXVYVUDXADDHK-UHFFFAOYSA-N 1 0 392.425 3.580 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000796466795 917561952 /nfs/dbraw/zinc/56/19/52/917561952.db2.gz RPTMYNNUCXSPPP-KRWDZBQOSA-N 1 0 384.549 3.670 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)OCc1ccccc1 ZINC000796467406 917578363 /nfs/dbraw/zinc/57/83/63/917578363.db2.gz RELDAUCIUNRUQN-NRFANRHFSA-N 1 0 380.463 3.816 20 30 GHEDRO C=CCC1(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC001190836578 917590335 /nfs/dbraw/zinc/59/03/35/917590335.db2.gz USARBOCYYCHAAP-UHFFFAOYSA-N 1 0 382.957 3.580 20 30 GHEDRO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccn4c[nH+]cc4c3)c(C#N)c21 ZINC001151894552 917599234 /nfs/dbraw/zinc/59/92/34/917599234.db2.gz AEBGGCABIZHBMW-CQSZACIVSA-N 1 0 394.456 3.503 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000295926988 917619276 /nfs/dbraw/zinc/61/92/76/917619276.db2.gz KKPNALNVIPKDJZ-NRFANRHFSA-N 1 0 395.551 3.664 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001190956677 917695016 /nfs/dbraw/zinc/69/50/16/917695016.db2.gz KBGJODJZEMKYTO-MEMLXQNLSA-N 1 0 376.504 3.795 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000296013328 917741563 /nfs/dbraw/zinc/74/15/63/917741563.db2.gz RGGBWKDSBZVXDD-HXUWFJFHSA-N 1 0 399.514 3.557 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccc(F)cc2)c1 ZINC000296314913 918123753 /nfs/dbraw/zinc/12/37/53/918123753.db2.gz GNZRJEVFKMUVST-PAXLWEDBSA-N 1 0 386.492 3.991 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)cc1OCCCC#N ZINC000363405434 918217565 /nfs/dbraw/zinc/21/75/65/918217565.db2.gz GAUQEDFLXZEYSL-SFHVURJKSA-N 1 0 382.460 4.000 20 30 GHEDRO C=CCCn1cc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)nn1 ZINC000653663248 918396430 /nfs/dbraw/zinc/39/64/30/918396430.db2.gz PHVAGCPEEAWIRB-BJKOFHAPSA-N 1 0 387.531 3.612 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000363564626 918426719 /nfs/dbraw/zinc/42/67/19/918426719.db2.gz VJIURDMNAAMVMT-RIFZZMRRSA-N 1 0 383.517 3.586 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC001192202306 918499990 /nfs/dbraw/zinc/49/99/90/918499990.db2.gz ZRQSGNQPGFAGRB-NHCUHLMSSA-N 1 0 380.488 3.958 20 30 GHEDRO Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)CC2)nc1 ZINC000363669736 918640757 /nfs/dbraw/zinc/64/07/57/918640757.db2.gz BWWRPRKDQLXZPG-FCHUYYIVSA-N 1 0 388.515 3.905 20 30 GHEDRO COc1ccc(C2(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)CCCCC2)cc1 ZINC000115598287 919457432 /nfs/dbraw/zinc/45/74/32/919457432.db2.gz LANXMZPHSHPFGU-NRFANRHFSA-N 1 0 377.488 3.585 20 30 GHEDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000116879321 919522114 /nfs/dbraw/zinc/52/21/14/919522114.db2.gz BPMZAQAFLYJAEF-OAQYLSRUSA-N 1 0 379.504 3.672 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000116878432 919522930 /nfs/dbraw/zinc/52/29/30/919522930.db2.gz YBFSNNAYARKOAR-JOCHJYFZSA-N 1 0 391.515 3.816 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(F)c(Br)c3)C2)C1=O ZINC001275965094 920328652 /nfs/dbraw/zinc/32/86/52/920328652.db2.gz CKCQURZPWBYPAJ-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cn1 ZINC000298465083 920569940 /nfs/dbraw/zinc/56/99/40/920569940.db2.gz RXQPUIXTDUXMES-UONOGXRCSA-N 1 0 385.537 3.640 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000298851201 920992478 /nfs/dbraw/zinc/99/24/78/920992478.db2.gz INRYJRSGABSFHI-ZBSNKRKSSA-N 1 0 389.908 3.628 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3ccn(Cc4ccccc4)c3)CC2)cc1 ZINC000543799150 921035934 /nfs/dbraw/zinc/03/59/34/921035934.db2.gz YCFNVXSCCIYCKG-UHFFFAOYSA-N 1 0 398.510 3.756 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000802145085 921856685 /nfs/dbraw/zinc/85/66/85/921856685.db2.gz IAUPNKOQVQXMFK-VGSWGCGISA-N 1 0 384.451 3.978 20 30 GHEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)NC(=O)OC(C)(C)C ZINC000902754697 922468050 /nfs/dbraw/zinc/46/80/50/922468050.db2.gz GJDBJMWDQQMZCY-KXBFYZLASA-N 1 0 396.491 3.878 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1 ZINC000902795884 922502837 /nfs/dbraw/zinc/50/28/37/922502837.db2.gz KPBPEIQAOLQRLS-HXUWFJFHSA-N 1 0 386.540 3.610 20 30 GHEDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000368516529 922723187 /nfs/dbraw/zinc/72/31/87/922723187.db2.gz ZHWQFQFKIJVTRO-RBUKOAKNSA-N 1 0 376.504 3.513 20 30 GHEDRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(COc3ccccc3C#N)c1)CC2 ZINC000368700282 922816615 /nfs/dbraw/zinc/81/66/15/922816615.db2.gz QEHRWQNNIQTZJB-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000368953635 923004213 /nfs/dbraw/zinc/00/42/13/923004213.db2.gz KGHMSQGIICETMW-FUHWJXTLSA-N 1 0 394.523 3.643 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000369947829 923761872 /nfs/dbraw/zinc/76/18/72/923761872.db2.gz ZMTFNYXLFDZTFA-DLBZAZTESA-N 1 0 375.538 3.768 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000748970379 923959525 /nfs/dbraw/zinc/95/95/25/923959525.db2.gz GAFKNONHOSAPHL-FQEVSTJZSA-N 1 0 384.524 3.574 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010281232 924024660 /nfs/dbraw/zinc/02/46/60/924024660.db2.gz YTBNERQPBGJSCK-GOSISDBHSA-N 1 0 377.488 3.628 20 30 GHEDRO C=CCOc1ccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000678346019 924737102 /nfs/dbraw/zinc/73/71/02/924737102.db2.gz YUSNPVQXXAIPLK-UHFFFAOYSA-N 1 0 382.504 3.829 20 30 GHEDRO C=CCCOCC(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000678411574 924760378 /nfs/dbraw/zinc/76/03/78/924760378.db2.gz FWGJIIRMSFPQIZ-UHFFFAOYSA-N 1 0 393.531 3.583 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c[nH]c4ccc(F)cc34)CC2)cc1 ZINC001137342998 924878443 /nfs/dbraw/zinc/87/84/43/924878443.db2.gz WGGGFFSIPBPELJ-UHFFFAOYSA-N 1 0 391.450 3.965 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409723708 924925933 /nfs/dbraw/zinc/92/59/33/924925933.db2.gz YFAPXZIRLWQFHZ-UHFFFAOYSA-N 1 0 384.352 3.818 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000410318377 925532029 /nfs/dbraw/zinc/53/20/29/925532029.db2.gz WTSWVLBKTNMFOF-UHFFFAOYSA-N 1 0 384.307 3.964 20 30 GHEDRO COc1c(Cl)cc(C[N@@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)cc1Cl ZINC001276134363 925881558 /nfs/dbraw/zinc/88/15/58/925881558.db2.gz HVDBGTOWPIBGGE-LJQANCHMSA-N 1 0 396.318 3.730 20 30 GHEDRO Cn1cc(-c2ncc(C[NH2+]Cc3ccc(-c4ccccc4C#N)cc3)cn2)cn1 ZINC000373388403 926075704 /nfs/dbraw/zinc/07/57/04/926075704.db2.gz OLAUYKQTGKVVMG-UHFFFAOYSA-N 1 0 380.455 3.706 20 30 GHEDRO C=CC[N@@H+](Cc1cnc2n1CCN(C(=O)OC(C)(C)C)CC2)C1CCCCC1 ZINC001137499570 926111973 /nfs/dbraw/zinc/11/19/73/926111973.db2.gz JBNYLRZPXIUWEG-UHFFFAOYSA-N 1 0 388.556 3.997 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000411181449 926175993 /nfs/dbraw/zinc/17/59/93/926175993.db2.gz FYZCLTVJTAREBK-OAQYLSRUSA-N 1 0 396.579 3.910 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000133522628 926303008 /nfs/dbraw/zinc/30/30/08/926303008.db2.gz JBAUTPJNSZCZRL-RTWAWAEBSA-N 1 0 385.471 3.608 20 30 GHEDRO CCC[N@H+](C[C@H]1CCCCO1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411369228 926339864 /nfs/dbraw/zinc/33/98/64/926339864.db2.gz PTKDBQPEGNHSQM-LSDHHAIUSA-N 1 0 375.538 3.717 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1F ZINC000411465817 926416613 /nfs/dbraw/zinc/41/66/13/926416613.db2.gz XWYWZTSPEWAATE-GFCCVEGCSA-N 1 0 387.480 3.936 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC(=O)Nc2cccc3cccnc32)ccc1OC ZINC000725851607 926467717 /nfs/dbraw/zinc/46/77/17/926467717.db2.gz SNGRNYYHTCIKJL-UHFFFAOYSA-N 1 0 391.471 3.927 20 30 GHEDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000411514890 926477488 /nfs/dbraw/zinc/47/74/88/926477488.db2.gz TXXPEIHNWXNYOB-KRWDZBQOSA-N 1 0 375.856 3.673 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCC[C@H]1C ZINC000411627226 926570392 /nfs/dbraw/zinc/57/03/92/926570392.db2.gz PFFSUXPKGOFZGI-PBHICJAKSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000411689844 926652541 /nfs/dbraw/zinc/65/25/41/926652541.db2.gz KUQIVDZSPDGSMV-NRFANRHFSA-N 1 0 383.879 3.532 20 30 GHEDRO C#Cc1cccc(NC(=S)Nc2ccc(C(=O)OCC[NH+](CC)CC)cc2)c1 ZINC000726435653 926661700 /nfs/dbraw/zinc/66/17/00/926661700.db2.gz VMWLODFHUMQNQS-UHFFFAOYSA-N 1 0 395.528 3.975 20 30 GHEDRO C#Cc1cccc(NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c1 ZINC000726441671 926665296 /nfs/dbraw/zinc/66/52/96/926665296.db2.gz YABXARINSVZJHX-UHFFFAOYSA-N 1 0 378.545 3.927 20 30 GHEDRO CC(C)CC[N@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)C1CCCC1 ZINC000726589444 926746106 /nfs/dbraw/zinc/74/61/06/926746106.db2.gz MXCACASWEPMNKK-UHFFFAOYSA-N 1 0 382.508 3.571 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000411845151 926842726 /nfs/dbraw/zinc/84/27/26/926842726.db2.gz DGUIKKQTCSFLFO-BJKOFHAPSA-N 1 0 387.527 3.829 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000411959144 926944329 /nfs/dbraw/zinc/94/43/29/926944329.db2.gz YAOOXRBIJPAOJL-RBZFPXEDSA-N 1 0 375.538 3.620 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2Cl)CC1 ZINC000749355088 927069518 /nfs/dbraw/zinc/06/95/18/927069518.db2.gz HMJYHXGISYZUFN-UHFFFAOYSA-N 1 0 396.922 3.925 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374462938 927171039 /nfs/dbraw/zinc/17/10/39/927171039.db2.gz QDATYVFINARQCD-UHFFFAOYSA-N 1 0 388.471 3.587 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000749577973 927199102 /nfs/dbraw/zinc/19/91/02/927199102.db2.gz MAYOBNZGEQVUBK-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(CCCc3ccccc3)C2=O)c(O)c1 ZINC000749929273 927354722 /nfs/dbraw/zinc/35/47/22/927354722.db2.gz BBMMKDDLZJDBGK-RYEBZEHMSA-N 1 0 393.531 3.891 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc(OC)c1O ZINC000374783026 927515207 /nfs/dbraw/zinc/51/52/07/927515207.db2.gz QIAMPOBPSFKZFJ-FQEVSTJZSA-N 1 0 398.547 3.744 20 30 GHEDRO CSc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000374903312 927677722 /nfs/dbraw/zinc/67/77/22/927677722.db2.gz ZLHLLECXCUNWKO-UHFFFAOYSA-N 1 0 383.492 3.836 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000750837207 927884721 /nfs/dbraw/zinc/88/47/21/927884721.db2.gz NHXRPWYJRSBLCU-VQTJNVASSA-N 1 0 397.544 3.604 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000750840851 927888533 /nfs/dbraw/zinc/88/85/33/927888533.db2.gz VGJLNFIGBUQSSV-QGZVFWFLSA-N 1 0 392.528 3.975 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000751005297 927977089 /nfs/dbraw/zinc/97/70/89/927977089.db2.gz QXWVHHLDWSKBSD-NQIIRXRSSA-N 1 0 377.488 3.873 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000751095684 928027438 /nfs/dbraw/zinc/02/74/38/928027438.db2.gz ZINZXFIHBRZWQO-KNQAVFIVSA-N 1 0 391.515 3.551 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3cc(C(F)(F)F)cnc3C#N)CC2)cc1 ZINC000413033396 928123728 /nfs/dbraw/zinc/12/37/28/928123728.db2.gz KUDYYWPWPYEHBW-UHFFFAOYSA-N 1 0 390.409 3.693 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC2(CCOCC2)[C@@H]1C(C)C)C(C)C ZINC000413122218 928231428 /nfs/dbraw/zinc/23/14/28/928231428.db2.gz YWFDLUPRLGSPMG-UXHICEINSA-N 1 0 377.573 3.532 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ncc(Cl)c(C)c3C#N)C2)cc(OC)c1 ZINC000544067739 928761669 /nfs/dbraw/zinc/76/16/69/928761669.db2.gz VJDZXAVDVKPXBN-OAHLLOKOSA-N 1 0 386.883 3.619 20 30 GHEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000467497669 929131793 /nfs/dbraw/zinc/13/17/93/929131793.db2.gz YNMMAGPQGXQLAR-CQSZACIVSA-N 1 0 383.517 3.706 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000544408384 929141377 /nfs/dbraw/zinc/14/13/77/929141377.db2.gz WXXJOPGCAGLEOR-NRFANRHFSA-N 1 0 394.494 3.931 20 30 GHEDRO CCc1nnc(NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c(C#N)c1CC ZINC000467750322 929371823 /nfs/dbraw/zinc/37/18/23/929371823.db2.gz XOOKHYWWNFALBN-OAQYLSRUSA-N 1 0 379.508 3.731 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2Cl)CCCC1)C(=O)NC1(C#N)CCC1 ZINC000469245580 929728782 /nfs/dbraw/zinc/72/87/82/929728782.db2.gz MJXYTKVLINZPGK-CQSZACIVSA-N 1 0 377.891 3.831 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000757608508 929743489 /nfs/dbraw/zinc/74/34/89/929743489.db2.gz ZXCAIUFFXNIUAA-DHIUTWEWSA-N 1 0 391.515 3.896 20 30 GHEDRO C#CCCCC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000758033149 929897584 /nfs/dbraw/zinc/89/75/84/929897584.db2.gz CLRVVEVOQMOXDE-UHFFFAOYSA-N 1 0 375.516 3.746 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000469494689 929939138 /nfs/dbraw/zinc/93/91/38/929939138.db2.gz WQROGVLOABXPFB-GOSISDBHSA-N 1 0 375.394 3.804 20 30 GHEDRO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000469601402 930019075 /nfs/dbraw/zinc/01/90/75/930019075.db2.gz VBVFGNCDTPSZLX-JKSUJKDBSA-N 1 0 389.927 3.554 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)cc1OC ZINC000546288690 930023745 /nfs/dbraw/zinc/02/37/45/930023745.db2.gz NTNHRGGETSSDBS-UHFFFAOYSA-N 1 0 395.459 3.917 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2SCC)cc1 ZINC000469776011 930155077 /nfs/dbraw/zinc/15/50/77/930155077.db2.gz PFDHKXRGGAOVDN-WOJBJXKFSA-N 1 0 389.565 3.986 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000469989427 930298803 /nfs/dbraw/zinc/29/88/03/930298803.db2.gz FRHUMBZVSFWEIN-UKRRQHHQSA-N 1 0 383.330 3.582 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546708096 930372353 /nfs/dbraw/zinc/37/23/53/930372353.db2.gz UPKIDMJXWBBWHQ-LPHOPBHVSA-N 1 0 378.476 3.599 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)nc1 ZINC000780558979 930547518 /nfs/dbraw/zinc/54/75/18/930547518.db2.gz VPINJKNXAJDXSI-UHFFFAOYSA-N 1 0 380.455 3.550 20 30 GHEDRO C=CCOCC[NH2+][C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000780745620 930590166 /nfs/dbraw/zinc/59/01/66/930590166.db2.gz SDOUQJKEMBRIBE-PGRDOPGGSA-N 1 0 388.508 3.682 20 30 GHEDRO CCCCCCCCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000780892928 930630297 /nfs/dbraw/zinc/63/02/97/930630297.db2.gz ROVHMEFBFFEJOG-UHFFFAOYSA-N 1 0 387.524 3.600 20 30 GHEDRO S=C(NN=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Nc1cccnc1 ZINC000781117684 930705862 /nfs/dbraw/zinc/70/58/62/930705862.db2.gz SFSCSPAOBABUAE-MJGOQNOKSA-N 1 0 379.533 3.656 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000781182809 930731461 /nfs/dbraw/zinc/73/14/61/930731461.db2.gz IORGFJQPTJDGDH-UHFFFAOYSA-N 1 0 377.315 3.954 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000470687644 930825967 /nfs/dbraw/zinc/82/59/67/930825967.db2.gz GVOZRHIGWSLRDX-UHFFFAOYSA-N 1 0 379.504 3.941 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000547273788 930871249 /nfs/dbraw/zinc/87/12/49/930871249.db2.gz ABBINQYUVKSTCC-UHFFFAOYSA-N 1 0 375.472 3.519 20 30 GHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000470834587 930954862 /nfs/dbraw/zinc/95/48/62/930954862.db2.gz COAGWKMYILMXRR-JOCHJYFZSA-N 1 0 386.499 3.908 20 30 GHEDRO Cc1csc(CC[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000924645474 931460531 /nfs/dbraw/zinc/46/05/31/931460531.db2.gz YRGSPYMFGDKPJS-HNNXBMFYSA-N 1 0 392.569 3.903 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000783289664 931511808 /nfs/dbraw/zinc/51/18/08/931511808.db2.gz QKKYMDCMNQNWEQ-HNNXBMFYSA-N 1 0 392.746 3.744 20 30 GHEDRO CC(C)n1ccc(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000925107166 931648546 /nfs/dbraw/zinc/64/85/46/931648546.db2.gz RUZJHULGYFNHPT-QGZVFWFLSA-N 1 0 389.544 3.873 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c(-c2ccccc2)n1 ZINC000557863351 931729383 /nfs/dbraw/zinc/72/93/83/931729383.db2.gz BXAIRVAWQIIHRB-HXUWFJFHSA-N 1 0 388.471 3.783 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000777555395 931731733 /nfs/dbraw/zinc/73/17/33/931731733.db2.gz AJGSPDAKAKNFBP-QFIPXVFZSA-N 1 0 390.512 3.868 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+]Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000925369910 931758917 /nfs/dbraw/zinc/75/89/17/931758917.db2.gz WVNIYANYVXSFGF-UHFFFAOYSA-N 1 0 385.508 3.858 20 30 GHEDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)[nH]n1 ZINC000925560248 931823378 /nfs/dbraw/zinc/82/33/78/931823378.db2.gz FGMWNWMQJGJUCT-NVXWUHKLSA-N 1 0 389.544 3.558 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cccc(F)n1 ZINC000925591337 931834003 /nfs/dbraw/zinc/83/40/03/931834003.db2.gz AWZIEZITAQUUPH-OAHLLOKOSA-N 1 0 376.476 3.630 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000796647016 932020789 /nfs/dbraw/zinc/02/07/89/932020789.db2.gz AGQAIEDAZWGKJM-FGTMMUONSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796770486 932060771 /nfs/dbraw/zinc/06/07/71/932060771.db2.gz DENYCHZEQXMARW-LJQANCHMSA-N 1 0 384.524 3.516 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](CCO)c1ccco1 ZINC000926195795 932079659 /nfs/dbraw/zinc/07/96/59/932079659.db2.gz FXDJYRVFCLCFTO-SJORKVTESA-N 1 0 391.512 3.612 20 30 GHEDRO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)n(C)n1 ZINC000926662477 932265890 /nfs/dbraw/zinc/26/58/90/932265890.db2.gz ROFVFRJAOGQMGL-URXFXBBRSA-N 1 0 391.563 3.566 20 30 GHEDRO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000926784604 932305668 /nfs/dbraw/zinc/30/56/68/932305668.db2.gz FRLRJLUQIFDYDW-HJPURHCSSA-N 1 0 394.494 3.522 20 30 GHEDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926838562 932323459 /nfs/dbraw/zinc/32/34/59/932323459.db2.gz STPSJBZEAPKSJE-DOTOQJQBSA-N 1 0 387.528 3.755 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC)CC1 ZINC000559008742 932369493 /nfs/dbraw/zinc/36/94/93/932369493.db2.gz KWWBJIJJYNXTAI-KRWDZBQOSA-N 1 0 387.503 3.665 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000559312558 932593282 /nfs/dbraw/zinc/59/32/82/932593282.db2.gz WTZHADCBNUMGDU-OAHLLOKOSA-N 1 0 380.423 3.621 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(I)c(C)c2)cc1C#N ZINC000798498467 932673921 /nfs/dbraw/zinc/67/39/21/932673921.db2.gz TWJZGNTWGYDIAH-UHFFFAOYSA-N 1 0 392.240 3.770 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@H](c3ccc(Br)cc3)C3CCC3)cnc12 ZINC000559554434 932731649 /nfs/dbraw/zinc/73/16/49/932731649.db2.gz HZTVQAUHLLUTMU-SFHVURJKSA-N 1 0 396.292 3.994 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000798935341 932823542 /nfs/dbraw/zinc/82/35/42/932823542.db2.gz OSLYCNJSHDTYCG-MRXNPFEDSA-N 1 0 385.895 3.930 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000799717209 933099406 /nfs/dbraw/zinc/09/94/06/933099406.db2.gz LBAYYSKBQMTRPT-YADHBBJMSA-N 1 0 375.472 3.583 20 30 GHEDRO C=CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccco1 ZINC000560537959 933323628 /nfs/dbraw/zinc/32/36/28/933323628.db2.gz NCXXCNFTAZHATA-HNNXBMFYSA-N 1 0 386.876 3.648 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1OC ZINC000560550194 933334036 /nfs/dbraw/zinc/33/40/36/933334036.db2.gz JHXDTSLJJPBUHI-JXFKEZNVSA-N 1 0 393.487 3.730 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc(OC)c1O ZINC000560596968 933371522 /nfs/dbraw/zinc/37/15/22/933371522.db2.gz KMFBEXMBOWZTJB-QFBILLFUSA-N 1 0 375.490 3.554 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116350132 933501146 /nfs/dbraw/zinc/50/11/46/933501146.db2.gz TZQKPQHPOUDZJF-OAHLLOKOSA-N 1 0 379.489 3.704 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000777809986 933559525 /nfs/dbraw/zinc/55/95/25/933559525.db2.gz VFXIEYYYYMUTKN-VQTJNVASSA-N 1 0 379.508 3.637 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000930088489 933825931 /nfs/dbraw/zinc/82/59/31/933825931.db2.gz XSXRRVSHZBNDSE-LPHOPBHVSA-N 1 0 392.459 3.527 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000561210475 933962374 /nfs/dbraw/zinc/96/23/74/933962374.db2.gz AIVAVZLYZGFUAQ-UHFFFAOYSA-N 1 0 382.504 3.976 20 30 GHEDRO COc1ccccc1-c1ccnc(C2CC[NH+](Cc3cncc(C#N)c3)CC2)n1 ZINC000931088696 934372129 /nfs/dbraw/zinc/37/21/29/934372129.db2.gz HOVMGGNLNKNQKJ-UHFFFAOYSA-N 1 0 385.471 3.798 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000931281804 934479380 /nfs/dbraw/zinc/47/93/80/934479380.db2.gz YXCBJBVYKOCSGE-ZDUSSCGKSA-N 1 0 384.402 3.652 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)c(F)c1 ZINC000561975464 934600357 /nfs/dbraw/zinc/60/03/57/934600357.db2.gz VYDUIIHGHWASJM-UHFFFAOYSA-N 1 0 382.464 3.988 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@@H]1C(F)(F)F ZINC000931614364 934644322 /nfs/dbraw/zinc/64/43/22/934644322.db2.gz ZBCAHKCXFYWWIA-FJBKBRRZSA-N 1 0 389.462 3.951 20 30 GHEDRO C[C@H](c1nnc(N(C)Cc2cc(C#N)cs2)n1C)N(C)Cc1ccccc1 ZINC001121418987 934652482 /nfs/dbraw/zinc/65/24/82/934652482.db2.gz KZSNEOMHZFRQGB-OAHLLOKOSA-N 1 0 380.521 3.578 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001121492069 934672729 /nfs/dbraw/zinc/67/27/29/934672729.db2.gz ADOYNTQPEJYBDA-TWMKSMIVSA-N 1 0 379.499 3.533 20 30 GHEDRO C=CCn1c(CC(F)F)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001121529846 934686525 /nfs/dbraw/zinc/68/65/25/934686525.db2.gz CEBOBHNZQGOKRY-MRXNPFEDSA-N 1 0 381.515 3.753 20 30 GHEDRO C=CCn1c([C@H](C)c2ccsc2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001121638612 934722354 /nfs/dbraw/zinc/72/23/54/934722354.db2.gz CYSZHXWHJDTUFZ-KCITZHQASA-N 1 0 385.581 3.844 20 30 GHEDRO CCn1c(Cc2ccc(C#N)cc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001121828758 934774613 /nfs/dbraw/zinc/77/46/13/934774613.db2.gz YFDBFJLYOZOZMG-UHFFFAOYSA-N 1 0 392.551 3.524 20 30 GHEDRO CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000932282052 934866725 /nfs/dbraw/zinc/86/67/25/934866725.db2.gz DQJJXYNCSMEKTL-RTBURBONSA-N 1 0 376.928 3.979 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2c(C)n[nH]c2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001122441862 934870961 /nfs/dbraw/zinc/87/09/61/934870961.db2.gz HXBNGKRZXNZNHO-LPHOPBHVSA-N 1 0 399.587 3.514 20 30 GHEDRO C=C(C)Cn1c(-c2cocn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001122560825 934900616 /nfs/dbraw/zinc/90/06/16/934900616.db2.gz LTTFJQFSTXVKQB-ZWKOTPCHSA-N 1 0 384.528 3.600 20 30 GHEDRO CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001122684894 934948480 /nfs/dbraw/zinc/94/84/80/934948480.db2.gz HQZLSJUUZXTSGM-QWFCFKBJSA-N 1 0 384.572 3.794 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(OC)c1 ZINC000829344760 935798437 /nfs/dbraw/zinc/79/84/37/935798437.db2.gz SPEUQUGDOQBOND-LJQANCHMSA-N 1 0 377.488 3.551 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)cc1 ZINC001137904045 935857719 /nfs/dbraw/zinc/85/77/19/935857719.db2.gz JQBHRKIZHLHELV-JOCHJYFZSA-N 1 0 385.471 3.769 20 30 GHEDRO Cc1cc(N2CC[NH+](Cc3ccc(N(C)c4ccc(C#N)cc4)cc3)CC2)ncn1 ZINC001137904217 935857972 /nfs/dbraw/zinc/85/79/72/935857972.db2.gz RZAZKDXPNDIAFB-UHFFFAOYSA-N 1 0 398.514 3.747 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CN2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001208613653 1014186091 /nfs/dbraw/zinc/18/60/91/1014186091.db2.gz XKBGYIIDGTVVHL-MRXNPFEDSA-N 1 0 376.342 3.648 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001625938158 1014487577 /nfs/dbraw/zinc/48/75/77/1014487577.db2.gz SRHXWFGWXKRPAV-OAQYLSRUSA-N 1 0 375.516 3.746 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000484528164 1014706384 /nfs/dbraw/zinc/70/63/84/1014706384.db2.gz BYFXCAWQKJBWNC-OAQYLSRUSA-N 1 0 392.478 3.707 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001626103695 1014888248 /nfs/dbraw/zinc/88/82/48/1014888248.db2.gz YGGRVWQEYJENJL-INIZCTEOSA-N 1 0 379.464 3.517 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCc3c(Cl)ccc(OC)c3C1)CC2 ZINC001171309721 1014963930 /nfs/dbraw/zinc/96/39/30/1014963930.db2.gz GGBWTBNBLAXZSU-INIZCTEOSA-N 1 0 388.939 3.849 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000545296147 1015750532 /nfs/dbraw/zinc/75/05/32/1015750532.db2.gz SIPQXQBABQSHDH-PXNSSMCTSA-N 1 0 392.503 3.989 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCCC1 ZINC000545416455 1015857466 /nfs/dbraw/zinc/85/74/66/1015857466.db2.gz QDZMAOFISKIIGE-UHFFFAOYSA-N 1 0 397.548 3.849 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccco1 ZINC000468750715 1015992686 /nfs/dbraw/zinc/99/26/86/1015992686.db2.gz ABGFOAINVKAPNK-GOSISDBHSA-N 1 0 378.432 3.619 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC2CCCCC2)C(C)(C)C)CC1 ZINC000557769315 1017041915 /nfs/dbraw/zinc/04/19/15/1017041915.db2.gz PRQZHMQZBXAOIH-HXUWFJFHSA-N 1 0 391.600 3.644 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC001226878023 1032171395 /nfs/dbraw/zinc/17/13/95/1032171395.db2.gz NAKCNOWRKVINBS-VXKWHMMOSA-N 1 0 379.479 3.710 20 30 GHEDRO C[N@H+](CCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC001221036112 1032246258 /nfs/dbraw/zinc/24/62/58/1032246258.db2.gz AAHZIMBDACEQCX-QFIPXVFZSA-N 1 0 376.504 3.757 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221035255 1032246525 /nfs/dbraw/zinc/24/65/25/1032246525.db2.gz YGEXDFZHEANGBC-OAQYLSRUSA-N 1 0 395.478 3.712 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)c(C)cc1OC ZINC001277188874 1032320860 /nfs/dbraw/zinc/32/08/60/1032320860.db2.gz GYLUIQYEGBSDLZ-IAGOWNOFSA-N 1 0 393.325 3.517 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@H]3CCC[C@@H]([NH3+])C3)c(Cl)nn2)c1 ZINC001154989347 1032369736 /nfs/dbraw/zinc/36/97/36/1032369736.db2.gz NQDSWOAHRGAIDI-KGLIPLIRSA-N 1 0 377.826 3.577 20 30 GHEDRO C[C@H](C[NH+](C)C)Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 ZINC001227592452 1032476700 /nfs/dbraw/zinc/47/67/00/1032476700.db2.gz AZPYVPQGMVMZRR-KYAPDFTASA-N 1 0 393.483 3.976 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCCc2ccc(C#N)cc2)CC1 ZINC001227864354 1032654374 /nfs/dbraw/zinc/65/43/74/1032654374.db2.gz UFGVPMYEUCWRNS-UHFFFAOYSA-N 1 0 390.531 3.832 20 30 GHEDRO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000558163628 1017129060 /nfs/dbraw/zinc/12/90/60/1017129060.db2.gz VXCQTBVPBMVXMK-FQEVSTJZSA-N 1 0 384.911 3.912 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000925673684 1017134942 /nfs/dbraw/zinc/13/49/42/1017134942.db2.gz OFMLFIHTMGPXHT-IKGGRYGDSA-N 1 0 379.545 3.851 20 30 GHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 ZINC000927008230 1017339134 /nfs/dbraw/zinc/33/91/34/1017339134.db2.gz MEMLVERDFYEWKJ-BBWFWOEESA-N 1 0 380.529 3.510 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cccnc1 ZINC000928828444 1017571469 /nfs/dbraw/zinc/57/14/69/1017571469.db2.gz BEZJYOAGQMBGRM-OAQYLSRUSA-N 1 0 389.503 3.763 20 30 GHEDRO CSc1cccc([C@@H]([NH2+]CCn2cnc(C#N)n2)c2ccc(F)c(F)c2)c1 ZINC000560583929 1017670616 /nfs/dbraw/zinc/67/06/16/1017670616.db2.gz DAULJLHPNNHFPH-LJQANCHMSA-N 1 0 385.443 3.529 20 30 GHEDRO COc1ccnc(N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)c1 ZINC000560680589 1017688576 /nfs/dbraw/zinc/68/85/76/1017688576.db2.gz KCTVFMKEYSWOCV-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO CN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000562091506 1018036457 /nfs/dbraw/zinc/03/64/57/1018036457.db2.gz KYBGRHQBVXQZAT-XYPWUTKMSA-N 1 0 396.413 3.588 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)cc1 ZINC001204301095 1032743570 /nfs/dbraw/zinc/74/35/70/1032743570.db2.gz NBNWOWKWXLKOPD-VWNXMTODSA-N 1 0 376.500 3.699 20 30 GHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCCO1 ZINC000562499153 1018235296 /nfs/dbraw/zinc/23/52/96/1018235296.db2.gz HTHSAMYTYVNQPW-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO N#CCc1cccc(NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000932421409 1018286878 /nfs/dbraw/zinc/28/68/78/1018286878.db2.gz OIAWXBRUSSDXNC-DYXWJJEUSA-N 1 0 389.503 3.570 20 30 GHEDRO CN(C(=O)Nc1ccc(CCC#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000932575657 1018476956 /nfs/dbraw/zinc/47/69/56/1018476956.db2.gz FNRHRRZGLVQISL-UHFFFAOYSA-N 1 0 391.519 3.709 20 30 GHEDRO Cn1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1-c1ccccc1 ZINC000778112161 1018580146 /nfs/dbraw/zinc/58/01/46/1018580146.db2.gz DAWVODRNXFQWDQ-UHFFFAOYSA-N 1 0 398.510 3.980 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000562826919 1018686386 /nfs/dbraw/zinc/68/63/86/1018686386.db2.gz HUPHRKKYFIAOTP-QFIPXVFZSA-N 1 0 389.503 3.546 20 30 GHEDRO C[C@@H]1C[C@H](C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCO1 ZINC000932942274 1018770559 /nfs/dbraw/zinc/77/05/59/1018770559.db2.gz GOUBRLQJHHDHTP-GWOFURMSSA-N 1 0 381.307 3.904 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](CCc3cscn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944840 1018775692 /nfs/dbraw/zinc/77/56/92/1018775692.db2.gz NEWAHNJERRPHNF-DTORHVGOSA-N 1 0 380.304 3.788 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](CCO[C@@H]3CCCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932951041 1018781948 /nfs/dbraw/zinc/78/19/48/1018781948.db2.gz TXZDLDPNVPWAOS-GMTAPVOTSA-N 1 0 397.306 3.632 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000933074539 1018833462 /nfs/dbraw/zinc/83/34/62/1018833462.db2.gz LNKBPLWLYVXEPU-OAQYLSRUSA-N 1 0 378.472 3.678 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000564415136 1019071564 /nfs/dbraw/zinc/07/15/64/1019071564.db2.gz OCSNFLZHMIGRSS-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000564857672 1019119789 /nfs/dbraw/zinc/11/97/89/1019119789.db2.gz OKLQAFFEQCIHGR-NRFANRHFSA-N 1 0 391.515 3.919 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc4[nH]c5ccccc5c43)CC2)cc1 ZINC000569917457 1019534870 /nfs/dbraw/zinc/53/48/70/1019534870.db2.gz GHVSNSANTBZSJW-UHFFFAOYSA-N 1 0 382.471 3.695 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(N3CCC(C[NH3+])(c4ccccc4)CC3)n2)c1 ZINC000900021147 1021296532 /nfs/dbraw/zinc/29/65/32/1021296532.db2.gz SOEMSWCCEURWGB-UHFFFAOYSA-N 1 0 385.471 3.637 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2-c2cnc(N)nc2)C1 ZINC001140325472 1021404128 /nfs/dbraw/zinc/40/41/28/1021404128.db2.gz OBPSYFUJNBAYAO-HXUWFJFHSA-N 1 0 385.471 3.641 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3cccc(C#N)c3Br)c2)CC1 ZINC001204574116 1032980833 /nfs/dbraw/zinc/98/08/33/1032980833.db2.gz HCAGNYQQHVEDAH-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO N#Cc1cc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000803907992 1021646942 /nfs/dbraw/zinc/64/69/42/1021646942.db2.gz RZWOKHJGJPSAPD-SFHVURJKSA-N 1 0 388.389 3.898 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000834904515 1021654555 /nfs/dbraw/zinc/65/45/55/1021654555.db2.gz ZCOCGGSTEDFPGM-SFHVURJKSA-N 1 0 382.529 3.693 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c2cc(C#N)ccc21 ZINC001140437589 1021705830 /nfs/dbraw/zinc/70/58/30/1021705830.db2.gz LOTQRSYSDPSECJ-IEBWSBKVSA-N 1 0 387.455 3.591 20 30 GHEDRO CC(C)[NH+]1CCN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC1 ZINC001140438252 1021708160 /nfs/dbraw/zinc/70/81/60/1021708160.db2.gz QRYIVQQTWWERJI-UHFFFAOYSA-N 1 0 382.508 3.822 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC([NH+]3CCCC3)C2)c2cc(C#N)ccc21 ZINC001140439748 1021711531 /nfs/dbraw/zinc/71/15/31/1021711531.db2.gz NHYUWPTZOWAKBQ-UHFFFAOYSA-N 1 0 380.492 3.576 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835051200 1021816491 /nfs/dbraw/zinc/81/64/91/1021816491.db2.gz IAERZSZKNOLUGD-KSSFIOAISA-N 1 0 393.553 3.507 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000835068353 1021854844 /nfs/dbraw/zinc/85/48/44/1021854844.db2.gz GMIYUFHABCQGKC-LMMKCTJWSA-N 1 0 387.524 3.960 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)nc1 ZINC000826955370 1021857129 /nfs/dbraw/zinc/85/71/29/1021857129.db2.gz CYQYABAISMTECY-UHFFFAOYSA-N 1 0 378.476 3.552 20 30 GHEDRO N#C[C@H](c1ccc(NCC2C[NH+](Cc3ccccc3)C2)nn1)c1ccccc1F ZINC001156398467 1033016573 /nfs/dbraw/zinc/01/65/73/1033016573.db2.gz DEVYHOADFJGWFQ-FQEVSTJZSA-N 1 0 387.462 3.815 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)ccc1O ZINC001140575421 1021994113 /nfs/dbraw/zinc/99/41/13/1021994113.db2.gz MYMDLQOMIFHNQN-DEOSSOPVSA-N 1 0 391.515 3.691 20 30 GHEDRO N#Cc1c(F)cc(CN2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)cc1F ZINC001140757602 1022447970 /nfs/dbraw/zinc/44/79/70/1022447970.db2.gz MWENFKJUWIVECC-ZPMCFJSWSA-N 1 0 399.441 3.570 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000754101393 1022483078 /nfs/dbraw/zinc/48/30/78/1022483078.db2.gz FNNXOZPIYBBARM-DYESRHJHSA-N 1 0 377.488 3.635 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1Cl ZINC001140812041 1022601271 /nfs/dbraw/zinc/60/12/71/1022601271.db2.gz KLTFEYIMRDASBU-UHFFFAOYSA-N 1 0 385.895 3.672 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1Cl ZINC001140813370 1022610086 /nfs/dbraw/zinc/61/00/86/1022610086.db2.gz GCJKMTXJZXYWNC-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3Cl)C2)C1 ZINC001140820537 1022627131 /nfs/dbraw/zinc/62/71/31/1022627131.db2.gz XPZMWWXPIKHKHD-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000836248077 1022766483 /nfs/dbraw/zinc/76/64/83/1022766483.db2.gz BWMVKBMQKYUPHT-KRWDZBQOSA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754741255 1022873610 /nfs/dbraw/zinc/87/36/10/1022873610.db2.gz ZZKVVTUWERVXML-QGZVFWFLSA-N 1 0 376.497 3.571 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000755791745 1023382705 /nfs/dbraw/zinc/38/27/05/1023382705.db2.gz UEXUJHHFEFJIPS-FQEVSTJZSA-N 1 0 397.486 3.597 20 30 GHEDRO C#CCOc1ccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000836868322 1023417856 /nfs/dbraw/zinc/41/78/56/1023417856.db2.gz AKUOVWYUFJBSJO-UHFFFAOYSA-N 1 0 376.500 3.617 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075785 1023437878 /nfs/dbraw/zinc/43/78/78/1023437878.db2.gz AHOUXEQCQWSLKZ-ISKFKSNPSA-N 1 0 382.548 3.712 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000756152137 1023538572 /nfs/dbraw/zinc/53/85/72/1023538572.db2.gz XVVJOPWFGCTXIM-LJQANCHMSA-N 1 0 385.414 3.542 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000756549233 1023709526 /nfs/dbraw/zinc/70/95/26/1023709526.db2.gz BOHQFAGLDJEGMI-YLJYHZDGSA-N 1 0 382.460 3.806 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001204992635 1033198379 /nfs/dbraw/zinc/19/83/79/1033198379.db2.gz JJDIKHXOOKCTSS-RNFHDMOYSA-N 1 0 383.854 3.798 20 30 GHEDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC[N@@H+]2C1 ZINC001141291329 1024419606 /nfs/dbraw/zinc/41/96/06/1024419606.db2.gz GDQQDZBLPWNAJS-NZQKXSOJSA-N 1 0 377.488 3.646 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC4(CCNC(=O)O4)CC3)cc2)cc1 ZINC001141295314 1024432291 /nfs/dbraw/zinc/43/22/91/1024432291.db2.gz BELOZRFBKNCNKX-UHFFFAOYSA-N 1 0 377.444 3.815 20 30 GHEDRO CC(C)(C)C#CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000837693595 1024637779 /nfs/dbraw/zinc/63/77/79/1024637779.db2.gz SUDADRJUBQGEAG-UHFFFAOYSA-N 1 0 387.955 3.503 20 30 GHEDRO C#CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1OC ZINC001138343809 1024705649 /nfs/dbraw/zinc/70/56/49/1024705649.db2.gz RBSIMQKWDLSJOT-QGZVFWFLSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(CN2CCc3sc(C(=O)OCC)cc3C2)cc1OC ZINC001138345409 1024707142 /nfs/dbraw/zinc/70/71/42/1024707142.db2.gz FQFSWINOEPUONO-UHFFFAOYSA-N 1 0 385.485 3.504 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](Cc2cccc(OC)c2)[C@@H](C)COC)cc1OC ZINC001138348025 1024710795 /nfs/dbraw/zinc/71/07/95/1024710795.db2.gz FEWBKQQMMDCLOM-SFHVURJKSA-N 1 0 383.488 3.753 20 30 GHEDRO COCC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000831857348 1024945342 /nfs/dbraw/zinc/94/53/42/1024945342.db2.gz KEETWWHRAJAZKB-OALUTQOASA-N 1 0 378.394 3.978 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC001138602745 1025087892 /nfs/dbraw/zinc/08/78/92/1025087892.db2.gz NPFTXCCPTOYRAA-UHFFFAOYSA-N 1 0 388.471 3.796 20 30 GHEDRO C=CCc1cccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)c1O ZINC001138626744 1025125352 /nfs/dbraw/zinc/12/53/52/1025125352.db2.gz NBUFVOCKKHNKDO-FJIJXJHWSA-N 1 0 396.531 3.825 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1O ZINC001138627302 1025126804 /nfs/dbraw/zinc/12/68/04/1025126804.db2.gz BVXWCZYZTTWBEX-IFMALSPDSA-N 1 0 382.479 3.597 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)c1 ZINC001138653170 1025168333 /nfs/dbraw/zinc/16/83/33/1025168333.db2.gz URPAEUWTNKVUHA-QFIPXVFZSA-N 1 0 376.435 3.926 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC001138663592 1025185322 /nfs/dbraw/zinc/18/53/22/1025185322.db2.gz ZKZDCWTXYRZPER-UHFFFAOYSA-N 1 0 391.515 3.570 20 30 GHEDRO COC(=O)Cc1cc(Cl)nc(N(CC[NH3+])c2cccc3ccccc32)c1C#N ZINC001162004905 1025533101 /nfs/dbraw/zinc/53/31/01/1025533101.db2.gz LUUYMZJEFMXYOT-UHFFFAOYSA-N 1 0 394.862 3.572 20 30 GHEDRO CSc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc(SC)n1 ZINC001162032468 1025551044 /nfs/dbraw/zinc/55/10/44/1025551044.db2.gz PPAOAOFMZXYOKD-UHFFFAOYSA-N 1 0 385.562 3.504 20 30 GHEDRO N#Cc1ccnc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c1F ZINC001162055758 1025570203 /nfs/dbraw/zinc/57/02/03/1025570203.db2.gz KSBWFWRJBQGASW-UHFFFAOYSA-N 1 0 378.373 3.652 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000839101292 1025603532 /nfs/dbraw/zinc/60/35/32/1025603532.db2.gz VYYIPVWAMCVBIQ-FCHUYYIVSA-N 1 0 398.547 3.822 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)ccc1C#N ZINC000839184947 1025696560 /nfs/dbraw/zinc/69/65/60/1025696560.db2.gz NYUWNHQESKLZAM-GBESFXJTSA-N 1 0 385.508 3.692 20 30 GHEDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000839195271 1025714233 /nfs/dbraw/zinc/71/42/33/1025714233.db2.gz FTBHLWDMBNRNGT-KXBFYZLASA-N 1 0 388.446 3.926 20 30 GHEDRO COc1ccc([C@H](CNC(=O)/C=C\c2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000832604173 1025759894 /nfs/dbraw/zinc/75/98/94/1025759894.db2.gz VJPUYNNJDCKPGV-OVTQYCMBSA-N 1 0 389.499 3.923 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001139028460 1025797067 /nfs/dbraw/zinc/79/70/67/1025797067.db2.gz URIFQJSXBGLUSR-UHFFFAOYSA-N 1 0 392.499 3.649 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@]2(CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC001139029370 1025799138 /nfs/dbraw/zinc/79/91/38/1025799138.db2.gz VXBVFXHOFKSLQS-DEOSSOPVSA-N 1 0 392.499 3.889 20 30 GHEDRO N#Cc1ccc(NCC2([NH+]3CCCCC3)CCOCC2)cc1Br ZINC001162598082 1025817054 /nfs/dbraw/zinc/81/70/54/1025817054.db2.gz MPTHEUKFHNXHCL-UHFFFAOYSA-N 1 0 378.314 3.768 20 30 GHEDRO CCOC(=O)COc1c(C#N)cc(Br)cc1NC(=[NH2+])C(C)(C)C ZINC001162665295 1025860166 /nfs/dbraw/zinc/86/01/66/1025860166.db2.gz BXPJOECEPZJRLJ-UHFFFAOYSA-N 1 0 382.258 3.698 20 30 GHEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cccc([C@H](C#N)C(=O)OC(C)(C)C)n2)c1 ZINC001162903686 1025960592 /nfs/dbraw/zinc/96/05/92/1025960592.db2.gz PZNYDOOKGVYQSJ-YOEHRIQHSA-N 1 0 376.460 3.994 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(Cc1[nH]c(CCCC)nc1Cl)CC2 ZINC001139179676 1026012839 /nfs/dbraw/zinc/01/28/39/1026012839.db2.gz FMCGJCILABQVCB-HXUWFJFHSA-N 1 0 378.948 3.939 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)c(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1Cl ZINC001163055733 1026027829 /nfs/dbraw/zinc/02/78/29/1026027829.db2.gz DFCCKBHMDDJZNW-JTQLQIEISA-N 1 0 384.698 3.937 20 30 GHEDRO Brc1ccc(C#Cc2ccc(N[C@@H]3COCCC34C[NH2+]C4)cc2)cc1 ZINC001163073031 1026034202 /nfs/dbraw/zinc/03/42/02/1026034202.db2.gz MLUBGEDJGMKHES-HXUWFJFHSA-N 1 0 397.316 3.639 20 30 GHEDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nc3ccccc3c(Cl)c2C#N)cc1 ZINC001163465080 1026204415 /nfs/dbraw/zinc/20/44/15/1026204415.db2.gz CYORKKLZSBKORN-MRXNPFEDSA-N 1 0 380.835 3.658 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001163466970 1026205460 /nfs/dbraw/zinc/20/54/60/1026205460.db2.gz VQPFUEWHPUCUOQ-UHFFFAOYSA-N 1 0 398.244 3.976 20 30 GHEDRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001139400816 1026271619 /nfs/dbraw/zinc/27/16/19/1026271619.db2.gz IUECQJSYVAZUJQ-GOSISDBHSA-N 1 0 389.455 3.870 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001139401979 1026273506 /nfs/dbraw/zinc/27/35/06/1026273506.db2.gz JWHKYYXURLQWIS-LIRRHRJNSA-N 1 0 375.394 3.755 20 30 GHEDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139404272 1026275608 /nfs/dbraw/zinc/27/56/08/1026275608.db2.gz YJHPRLOUENEXPN-DHIUTWEWSA-N 1 0 377.488 3.638 20 30 GHEDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139404274 1026276298 /nfs/dbraw/zinc/27/62/98/1026276298.db2.gz YJHPRLOUENEXPN-PKTZIBPZSA-N 1 0 377.488 3.638 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001163881541 1026349004 /nfs/dbraw/zinc/34/90/04/1026349004.db2.gz KMVJLOQXDHJYOZ-UHFFFAOYSA-N 1 0 383.323 3.589 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)cc1F ZINC001139528492 1026387114 /nfs/dbraw/zinc/38/71/14/1026387114.db2.gz PGWBPVWZKQIAIG-UNMCSNQZSA-N 1 0 399.441 3.682 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1F ZINC001139531639 1026389789 /nfs/dbraw/zinc/38/97/89/1026389789.db2.gz LOYMKSFXZWJZKD-UHFFFAOYSA-N 1 0 385.870 3.879 20 30 GHEDRO Cc1cc(N2CCN(c3ncc(CC#N)cc3Cl)CC2)c2ccccc2[nH+]1 ZINC001164202742 1026450434 /nfs/dbraw/zinc/45/04/34/1026450434.db2.gz DVIYUVHQBGIQNJ-UHFFFAOYSA-N 1 0 377.879 3.984 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(C#N)ccc3F)C[C@@H]2c2ccccc2)C1=O ZINC001139646292 1026506690 /nfs/dbraw/zinc/50/66/90/1026506690.db2.gz NSKNNHSGZMPJOI-QPPBQGQZSA-N 1 0 389.474 3.701 20 30 GHEDRO CC(C)NC(=O)c1ccccc1OC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC001139649563 1026510838 /nfs/dbraw/zinc/51/08/38/1026510838.db2.gz ODQDAGFASZXJMN-UHFFFAOYSA-N 1 0 395.478 3.879 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC001139648955 1026510995 /nfs/dbraw/zinc/51/09/95/1026510995.db2.gz IIGTZOBZKZTCTC-DHIUTWEWSA-N 1 0 395.478 3.680 20 30 GHEDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139649274 1026511162 /nfs/dbraw/zinc/51/11/62/1026511162.db2.gz WQCASHGFQNYWPS-HXUWFJFHSA-N 1 0 377.463 3.678 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001164435788 1026512997 /nfs/dbraw/zinc/51/29/97/1026512997.db2.gz OBRMOPDTXIQANA-UHFFFAOYSA-N 1 0 376.838 3.648 20 30 GHEDRO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001139688338 1026539656 /nfs/dbraw/zinc/53/96/56/1026539656.db2.gz HNQLQMBNMCHAFZ-JOCHJYFZSA-N 1 0 397.881 3.975 20 30 GHEDRO N#Cc1cccc2c(CN3CCCC[C@]34CC(=O)N(Cc3cccnc3)C4)c[nH]c21 ZINC001139702509 1026546942 /nfs/dbraw/zinc/54/69/42/1026546942.db2.gz CMQRYJADLHSAEF-XMMPIXPASA-N 1 0 399.498 3.592 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C2)C1 ZINC001139702328 1026547326 /nfs/dbraw/zinc/54/73/26/1026547326.db2.gz AGLONJFDHBPRNR-INIZCTEOSA-N 1 0 380.492 3.728 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CCC[C@@H](N4Cc5c(cccc5F)C4=O)C3)c[nH]c21 ZINC001139707525 1026552597 /nfs/dbraw/zinc/55/25/97/1026552597.db2.gz IQGKAYWIRWNXOP-QGZVFWFLSA-N 1 0 388.446 3.799 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)cc1C#N ZINC001139724535 1026567539 /nfs/dbraw/zinc/56/75/39/1026567539.db2.gz VPHDZAHWHJVGHK-QIDMFYOTSA-N 1 0 393.556 3.745 20 30 GHEDRO Cc1ccc(CN2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1C#N ZINC001139725443 1026569171 /nfs/dbraw/zinc/56/91/71/1026569171.db2.gz PPMBKKMCJWNTHU-JOCHJYFZSA-N 1 0 396.485 3.995 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1Br ZINC001139730363 1026574183 /nfs/dbraw/zinc/57/41/83/1026574183.db2.gz VJVFXRKVHUVCIT-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cn1 ZINC001139771506 1026605688 /nfs/dbraw/zinc/60/56/88/1026605688.db2.gz FVUDLZWMEZRPOD-JOCHJYFZSA-N 1 0 390.531 3.645 20 30 GHEDRO N#C[C@H](c1ccc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)nn1)c1ccccc1F ZINC001165123241 1026619130 /nfs/dbraw/zinc/61/91/30/1026619130.db2.gz NOFFERKNQFXMAV-FQEVSTJZSA-N 1 0 399.473 3.593 20 30 GHEDRO CN(C[C@@H]1CC[NH2+]C1)C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001165124185 1026620132 /nfs/dbraw/zinc/62/01/32/1026620132.db2.gz FWWPCPMHSPUSAE-CQSZACIVSA-N 1 0 376.838 3.864 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCCN(Cc4ccncc4Cl)C3)C2)c1 ZINC001139846176 1026663612 /nfs/dbraw/zinc/66/36/12/1026663612.db2.gz ISUBAMLOUSVPIA-JOCHJYFZSA-N 1 0 396.922 3.726 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165266918 1026684824 /nfs/dbraw/zinc/68/48/24/1026684824.db2.gz WHHOJQZOYKOOQM-CYBMUJFWSA-N 1 0 379.213 3.771 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC001139874692 1026690125 /nfs/dbraw/zinc/69/01/25/1026690125.db2.gz ILXJINJNTKBLAJ-XZOQPEGZSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165433745 1026727089 /nfs/dbraw/zinc/72/70/89/1026727089.db2.gz KHZCQLHISPURNN-BXKDBHETSA-N 1 0 380.801 3.551 20 30 GHEDRO Cc1cccc(N(c2nc(Cl)c(F)cc2C#N)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165771486 1026829762 /nfs/dbraw/zinc/82/97/62/1026829762.db2.gz LTBZXXRQJXAGPM-OXJNMPFZSA-N 1 0 386.858 3.713 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cc(F)ccc4O)C3)C2)c1 ZINC001140055829 1026835308 /nfs/dbraw/zinc/83/53/08/1026835308.db2.gz XBZXMYPDYYUCFL-HSZRJFAPSA-N 1 0 395.478 3.522 20 30 GHEDRO N#Cc1nc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(Cl)cc1Cl ZINC001165911041 1026866326 /nfs/dbraw/zinc/86/63/26/1026866326.db2.gz NHNSZGQCLRZJKO-UHFFFAOYSA-N 1 0 391.306 3.509 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001140099407 1026875970 /nfs/dbraw/zinc/87/59/70/1026875970.db2.gz FGPHWUPDTHYIJB-RBUKOAKNSA-N 1 0 396.325 3.728 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001140100172 1026877969 /nfs/dbraw/zinc/87/79/69/1026877969.db2.gz DRVAIVGGKMKKKT-LJQANCHMSA-N 1 0 393.325 3.688 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110868 1026891929 /nfs/dbraw/zinc/89/19/29/1026891929.db2.gz UIFWTKDSYPDFAP-OXJNMPFZSA-N 1 0 380.492 3.871 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001140109974 1026892194 /nfs/dbraw/zinc/89/21/94/1026892194.db2.gz CSTRPOFJNPZOIB-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO N#Cc1ccc(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(F)c1 ZINC001140137939 1026911963 /nfs/dbraw/zinc/91/19/63/1026911963.db2.gz ANEALOMOVCAXMI-UHFFFAOYSA-N 1 0 379.479 3.564 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)c(F)c1 ZINC001140138763 1026913311 /nfs/dbraw/zinc/91/33/11/1026913311.db2.gz QVVCGCYVEZGDSQ-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1-n1ncc2cc(N3CC[NH2+]CC3)ccc21 ZINC001167020505 1027202133 /nfs/dbraw/zinc/20/21/33/1027202133.db2.gz IOBPZSMOVZALNB-UHFFFAOYSA-N 1 0 388.862 3.508 20 30 GHEDRO C=CCCC(C)(C)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203227768 1027240384 /nfs/dbraw/zinc/24/03/84/1027240384.db2.gz GITJOUJDSLHVCL-INIZCTEOSA-N 1 0 377.533 3.685 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c(-c2ccc(F)cc2)n1 ZINC001203313985 1027270188 /nfs/dbraw/zinc/27/01/88/1027270188.db2.gz HGUMUQUWYAWQEM-UHFFFAOYSA-N 1 0 389.478 3.856 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1=S ZINC000840152902 1027284475 /nfs/dbraw/zinc/28/44/75/1027284475.db2.gz OTWKVVLTEGZZFS-INIZCTEOSA-N 1 0 389.544 3.778 20 30 GHEDRO CCCc1c(NC(=O)NCC[N@@H+]2CCCC2(C)C)cnn1-c1cccc(C#N)c1 ZINC001203573084 1027441221 /nfs/dbraw/zinc/44/12/21/1027441221.db2.gz NGJBACNWAJFSKM-UHFFFAOYSA-N 1 0 394.523 3.692 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH2+][C@@H](Cc4ccccc4)C3)cn2)cc1 ZINC001210311985 1027442241 /nfs/dbraw/zinc/44/22/41/1027442241.db2.gz RLZPVPYTKPCLPN-QFIPXVFZSA-N 1 0 384.483 3.762 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc4c(c3)OCCCO4)CC2)cc1 ZINC001203706243 1027544206 /nfs/dbraw/zinc/54/42/06/1027544206.db2.gz CKUAZHGQGJJSMK-UHFFFAOYSA-N 1 0 391.515 3.516 20 30 GHEDRO C[NH+]1CCC(n2cc(Nc3cc(C#N)c(F)cc3Br)cn2)CC1 ZINC001210761067 1027642520 /nfs/dbraw/zinc/64/25/20/1027642520.db2.gz WHVHPFRFEZYFQO-UHFFFAOYSA-N 1 0 378.249 3.667 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1C ZINC001203897606 1027691300 /nfs/dbraw/zinc/69/13/00/1027691300.db2.gz SKRUBWILQBOJIJ-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)cc1 ZINC001203901059 1027694632 /nfs/dbraw/zinc/69/46/32/1027694632.db2.gz FENFURZRKODPEA-FQEVSTJZSA-N 1 0 386.421 3.830 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001203903333 1027696362 /nfs/dbraw/zinc/69/63/62/1027696362.db2.gz BYEYOBBUAIQRGG-OAHLLOKOSA-N 1 0 399.516 3.954 20 30 GHEDRO CCOC(=O)c1cc2cc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC001203904711 1027696393 /nfs/dbraw/zinc/69/63/93/1027696393.db2.gz BDANMDHEKDAOQJ-UHFFFAOYSA-N 1 0 389.455 3.803 20 30 GHEDRO CSc1nc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141934734 1027700127 /nfs/dbraw/zinc/70/01/27/1027700127.db2.gz WQPGJKFKUNYQTH-UHFFFAOYSA-N 1 0 376.526 3.506 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C#N)c(SC)n1)[C@@H]2CC ZINC001141934535 1027700860 /nfs/dbraw/zinc/70/08/60/1027700860.db2.gz OVTCTVBBVDGDHZ-NQIIRXRSSA-N 1 0 384.549 3.597 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC001203923686 1027715747 /nfs/dbraw/zinc/71/57/47/1027715747.db2.gz YZHAWWWRUSYZPE-UHFFFAOYSA-N 1 0 385.508 3.646 20 30 GHEDRO CSc1nc(C[N@H+](C)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)ccc1C#N ZINC001141943840 1027722350 /nfs/dbraw/zinc/72/23/50/1027722350.db2.gz MSGIIBOMXMUMFN-DLBZAZTESA-N 1 0 390.553 3.943 20 30 GHEDRO COc1cccc(/C=N/C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1O ZINC000840705637 1027745150 /nfs/dbraw/zinc/74/51/50/1027745150.db2.gz HGEBEVMYGLNRGK-NFCNUSAFSA-N 1 0 394.515 3.749 20 30 GHEDRO CCOc1ccc(/C=N/C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c(O)c1 ZINC000840709254 1027747961 /nfs/dbraw/zinc/74/79/61/1027747961.db2.gz LZHGFSIBTZEEKB-BUVRLJJBSA-N 1 0 395.503 3.833 20 30 GHEDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141978019 1027794520 /nfs/dbraw/zinc/79/45/20/1027794520.db2.gz XJKNSOYVOSAOPZ-FQEVSTJZSA-N 1 0 396.556 3.607 20 30 GHEDRO C=C(C)CCNC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001211136704 1027804831 /nfs/dbraw/zinc/80/48/31/1027804831.db2.gz VBBZQDBQOYRJAQ-UHFFFAOYSA-N 1 0 392.547 3.774 20 30 GHEDRO C#C[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1F ZINC001211319641 1027908008 /nfs/dbraw/zinc/90/80/08/1027908008.db2.gz DKYSNMAROPFVIA-NRFANRHFSA-N 1 0 399.897 3.901 20 30 GHEDRO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000840873936 1027911081 /nfs/dbraw/zinc/91/10/81/1027911081.db2.gz DYECQNTYJDGBFG-BPUDTRNYSA-N 1 0 393.531 3.777 20 30 GHEDRO Cc1c(Cl)cccc1-c1noc([C@@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)n1 ZINC001211377160 1027930092 /nfs/dbraw/zinc/93/00/92/1027930092.db2.gz GERFERJQQFLMAH-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@H](O)[C@@H]([NH3+])Cc4ccccc4)n3)cc2)cc1 ZINC001211382022 1027933276 /nfs/dbraw/zinc/93/32/76/1027933276.db2.gz SQXAVQQBOOZPQN-VXKWHMMOSA-N 1 0 396.450 3.879 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)cc1 ZINC000840958105 1027989448 /nfs/dbraw/zinc/98/94/48/1027989448.db2.gz IJYRTDPELUALJI-FCHUYYIVSA-N 1 0 398.547 3.952 20 30 GHEDRO CC(C)c1ccc(N2Cc3ccc(NC(=O)N[C@H]4C[NH2+]C[C@@H]4C#N)cc3C2)cc1 ZINC000841171069 1028242670 /nfs/dbraw/zinc/24/26/70/1028242670.db2.gz ORHSSFLQKZSMBQ-UGKGYDQZSA-N 1 0 389.503 3.563 20 30 GHEDRO CC(C)c1ccc(N2Cc3ccc(NC(=O)N[C@H]4C[NH2+]C[C@H]4C#N)cc3C2)cc1 ZINC000841171067 1028242998 /nfs/dbraw/zinc/24/29/98/1028242998.db2.gz ORHSSFLQKZSMBQ-KNQAVFIVSA-N 1 0 389.503 3.563 20 30 GHEDRO C[NH+](C)C[C@@](C)(CN=Nc1cc(CO)ccc1Br)c1ccccc1 ZINC000841655464 1028803175 /nfs/dbraw/zinc/80/31/75/1028803175.db2.gz VPJCQAJAANWPLN-LJQANCHMSA-N 1 0 390.325 3.859 20 30 GHEDRO COc1cc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OCC[NH+](C)C ZINC000841819698 1028965315 /nfs/dbraw/zinc/96/53/15/1028965315.db2.gz DCWUJGQLTMKWJS-HNNXBMFYSA-N 1 0 398.463 3.570 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC001215105827 1029042065 /nfs/dbraw/zinc/04/20/65/1029042065.db2.gz AZFIFDNZWYXIBF-UHFFFAOYSA-N 1 0 378.423 3.688 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)/C=C\c1ccccc1C#N)[NH+]1CCCC1 ZINC000842512281 1029356240 /nfs/dbraw/zinc/35/62/40/1029356240.db2.gz IYKWXBGDNVVIGH-BIGNBACZSA-N 1 0 375.472 3.533 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2cc(F)c(C#N)cc2I)c1F ZINC001216226457 1029575035 /nfs/dbraw/zinc/57/50/35/1029575035.db2.gz OPDWGIUIABNMLX-UHFFFAOYSA-N 1 0 399.182 3.904 20 30 GHEDRO COc1cc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)ccc1OC(C)C ZINC001216249565 1029583064 /nfs/dbraw/zinc/58/30/64/1029583064.db2.gz LRVTWDGPMXVCID-UHFFFAOYSA-N 1 0 380.492 3.849 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3c(Cl)cc(CO)cc3Cl)cc2C#N)CC1 ZINC001216363745 1029616532 /nfs/dbraw/zinc/61/65/32/1029616532.db2.gz JSWIJWRRGZWUDX-UHFFFAOYSA-N 1 0 391.302 3.853 20 30 GHEDRO CC[NH+]1CCN(Cc2ccccc2-c2nc(-c3cc(F)cc(C#N)c3)no2)CC1 ZINC001216453142 1029643477 /nfs/dbraw/zinc/64/34/77/1029643477.db2.gz FSKYOHPAOLVXDR-UHFFFAOYSA-N 1 0 391.450 3.552 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)ccc1S(=O)(=O)C(F)F ZINC000842884245 1029662014 /nfs/dbraw/zinc/66/20/14/1029662014.db2.gz JNKLWODTKWHCBN-CYBMUJFWSA-N 1 0 394.443 3.608 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001142916244 1029688768 /nfs/dbraw/zinc/68/87/68/1029688768.db2.gz QMRNGSJNRWXKGO-INIZCTEOSA-N 1 0 380.492 3.728 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3cccc(N4CC[NH2+]CC4)c3)n2)c(F)c1 ZINC001216698983 1029734051 /nfs/dbraw/zinc/73/40/51/1029734051.db2.gz NJRHDRYJHJTFOQ-UHFFFAOYSA-N 1 0 380.423 3.517 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1F ZINC001143166065 1029878150 /nfs/dbraw/zinc/87/81/50/1029878150.db2.gz CYDKWCXZRZJIQG-QFIPXVFZSA-N 1 0 399.416 3.600 20 30 GHEDRO CCN(CC)C(=O)c1cc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)ccc1F ZINC001222178771 1029990272 /nfs/dbraw/zinc/99/02/72/1029990272.db2.gz XVXZCRIJCQHVOD-UHFFFAOYSA-N 1 0 395.478 3.977 20 30 GHEDRO CCCCCCCCOc1ccc(CN2CCOC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001222186259 1029993310 /nfs/dbraw/zinc/99/33/10/1029993310.db2.gz BRUAXKMVBPUFOE-HSZRJFAPSA-N 1 0 390.568 3.617 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000843482724 1030035374 /nfs/dbraw/zinc/03/53/74/1030035374.db2.gz AZHFOQQZVAMCGI-BVBSBALXSA-N 1 0 390.274 3.836 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c([O-])c1 ZINC001222590787 1030215113 /nfs/dbraw/zinc/21/51/13/1030215113.db2.gz NGLUZJNJCLSEKI-JOCHJYFZSA-N 1 0 391.515 3.567 20 30 GHEDRO Cc1cc(C#N)cc(C)c1-c1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001222662625 1030268434 /nfs/dbraw/zinc/26/84/34/1030268434.db2.gz AEDMSAPDMJHSGA-UHFFFAOYSA-N 1 0 388.515 3.938 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4c[nH]c5cc(C#N)ccc45)n3)c2)CC1 ZINC001217386981 1030356437 /nfs/dbraw/zinc/35/64/37/1030356437.db2.gz IAPIPNYWNQERHZ-UHFFFAOYSA-N 1 0 384.443 3.508 20 30 GHEDRO C#C[C@@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)c1ccc(Br)cc1 ZINC001222980658 1030378583 /nfs/dbraw/zinc/37/85/83/1030378583.db2.gz YDJZRMITSLIKKH-GOSISDBHSA-N 1 0 394.357 3.932 20 30 GHEDRO COc1ccc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)cc1OCCCC#N ZINC001461657041 1069662538 /nfs/dbraw/zinc/66/25/38/1069662538.db2.gz OCFJPGURRMOLRL-UHFFFAOYSA-N 1 0 388.508 3.979 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cc(Cl)c(OC)cc3F)CC2)C1=O ZINC001276756086 1030428337 /nfs/dbraw/zinc/42/83/37/1030428337.db2.gz HSVUWPNBFBKKGM-UHFFFAOYSA-N 1 0 380.891 3.878 20 30 GHEDRO Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001461674989 1069671922 /nfs/dbraw/zinc/67/19/22/1069671922.db2.gz BIOXWZXBGRSKDM-UHFFFAOYSA-N 1 0 389.478 3.950 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cnn(C)c1-c1ccccc1)C(C)C ZINC001217606721 1030529500 /nfs/dbraw/zinc/52/95/00/1030529500.db2.gz SNFWWFGRQLVEFP-FQEVSTJZSA-N 1 0 381.524 3.907 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001461679269 1069674075 /nfs/dbraw/zinc/67/40/75/1069674075.db2.gz XIYBWAIUVIYIEQ-UHFFFAOYSA-N 1 0 379.891 3.982 20 30 GHEDRO O/N=C(/c1ccccc1)[C@H](OC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC001217840443 1030660566 /nfs/dbraw/zinc/66/05/66/1030660566.db2.gz DHEZOHCKOVGIIP-VWRLWXAJSA-N 1 0 380.488 3.782 20 30 GHEDRO CCOC(=O)C[C@@H](CC#N)OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001223630508 1030671570 /nfs/dbraw/zinc/67/15/70/1030671570.db2.gz VJKRUTZXGPTLOC-OAQYLSRUSA-N 1 0 388.508 3.693 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218020582 1030727249 /nfs/dbraw/zinc/72/72/49/1030727249.db2.gz BYQLRGLHQYDZSW-UXHICEINSA-N 1 0 393.462 3.583 20 30 GHEDRO COc1cc(O[C@H]2CC[NH2+]CC[C@@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218022722 1030728923 /nfs/dbraw/zinc/72/89/23/1030728923.db2.gz HHHZLAHBNQPCOY-VMSUNOLGSA-N 1 0 385.435 3.766 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@@H]3CC[NH2+]CC[C@@H]3F)c2C1=O ZINC001218026410 1030730150 /nfs/dbraw/zinc/73/01/50/1030730150.db2.gz UDQDPUZRAZFLQP-MAUKXSAKSA-N 1 0 387.451 3.913 20 30 GHEDRO O=C(/C=C\c1ccc(O[C@H]2C[NH2+]CCOC2)cc1)CCCCc1ccc(O)cc1 ZINC001218047494 1030740946 /nfs/dbraw/zinc/74/09/46/1030740946.db2.gz RASBUDPBJKGDRR-DUFUGNAASA-N 1 0 395.499 3.755 20 30 GHEDRO C[C@@H]1C[C@@H](Oc2c(Br)cc(Br)cc2C=NO)CC[NH2+]1 ZINC001218054465 1030745297 /nfs/dbraw/zinc/74/52/97/1030745297.db2.gz ZSQOTDIZKMVFAF-KCJUWKMLSA-N 1 0 392.091 3.539 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c(OC)c1 ZINC001218113034 1030778986 /nfs/dbraw/zinc/77/89/86/1030778986.db2.gz YLQHPRYFMHGMRU-BOFZWKFISA-N 1 0 385.504 3.946 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218122672 1030784371 /nfs/dbraw/zinc/78/43/71/1030784371.db2.gz HRSZBZVLHJHQCR-LWVLNKLKSA-N 1 0 379.456 3.818 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@H]1CCO[C@@]12CC[NH2+]C2 ZINC001218138688 1030792826 /nfs/dbraw/zinc/79/28/26/1030792826.db2.gz PTCQPSYUGHNORG-NZQKXSOJSA-N 1 0 384.520 3.941 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@H](C)C2C[NH2+]C2)cc1 ZINC001218198862 1030819624 /nfs/dbraw/zinc/81/96/24/1030819624.db2.gz TZOFSHIEYDADRK-JOZWUWCOSA-N 1 0 397.471 3.595 20 30 GHEDRO O[C@H](C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1)C(F)(F)C(F)(F)F ZINC001461714015 1069695900 /nfs/dbraw/zinc/69/59/00/1069695900.db2.gz LPQMWWLVUWPOKO-SNVBAGLBSA-N 1 0 388.308 3.736 20 30 GHEDRO CCOC(=O)c1c2cc(O[C@H]3C[NH2+]C[C@H]3C#N)ccc2oc1-c1ccccc1 ZINC001218200859 1030821112 /nfs/dbraw/zinc/82/11/12/1030821112.db2.gz NZTVYBZHKJPLQE-BEFAXECRSA-N 1 0 376.412 3.767 20 30 GHEDRO CCCCCCCCC(=O)NCc1ccc(O[C@@H]2C[NH2+]C[C@H]2C#N)c(OC)c1 ZINC001218202145 1030825423 /nfs/dbraw/zinc/82/54/23/1030825423.db2.gz YRLNYTSPUUKPAO-WIYYLYMNSA-N 1 0 387.524 3.552 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1c(Br)cc(Br)c2ccccc21 ZINC001218201965 1030825661 /nfs/dbraw/zinc/82/56/61/1030825661.db2.gz WQSVLTRRKJOIRX-XPTSAGLGSA-N 1 0 396.082 3.855 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1c(Br)cc(Br)c2ccccc21 ZINC001218201961 1030826392 /nfs/dbraw/zinc/82/63/92/1030826392.db2.gz WQSVLTRRKJOIRX-LKFCYVNXSA-N 1 0 396.082 3.855 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc2c(c1)[C@@H]1CCC[C@@H]1[C@H](c1ccc(O)cc1)O2 ZINC001218203687 1030827433 /nfs/dbraw/zinc/82/74/33/1030827433.db2.gz RWGVCLQECJTKJF-UVPNJDHQSA-N 1 0 376.456 3.900 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cccc(C(=O)CCc2ccc(OC)c(OC)c2)c1 ZINC001218203354 1030827471 /nfs/dbraw/zinc/82/74/71/1030827471.db2.gz DZISPIRSPBNSIO-HSZRJFAPSA-N 1 0 381.472 3.816 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(OC3CC4(C3)CCC[NH2+]C4)cccc1C2=O ZINC001218255000 1030856216 /nfs/dbraw/zinc/85/62/16/1030856216.db2.gz MNHOISLSLCHYKY-UHFFFAOYSA-N 1 0 381.472 3.820 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(OC3CCC4(C[NH2+]C4)CC3)cccc1C2=O ZINC001218263612 1030859709 /nfs/dbraw/zinc/85/97/09/1030859709.db2.gz IIERBZMMRXATJS-UHFFFAOYSA-N 1 0 381.472 3.820 20 30 GHEDRO CCCCCCC[C@H](CCC)Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c1=O ZINC001218355693 1030908183 /nfs/dbraw/zinc/90/81/83/1030908183.db2.gz UOZTYOTZXBRVHK-HNNXBMFYSA-N 1 0 395.544 3.669 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001224168296 1030908364 /nfs/dbraw/zinc/90/83/64/1030908364.db2.gz JKGJNFAFEXEVSM-VGOFRKELSA-N 1 0 378.472 3.772 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2C[NH2+]CCC23CC3)c1C(=O)/C=C/c1ccccc1 ZINC001218404314 1030923398 /nfs/dbraw/zinc/92/33/98/1030923398.db2.gz MWXLIRQYDWWTDK-QQUYBBDPSA-N 1 0 379.456 3.818 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3CC[C@H](C)[NH2+]C3)cc2)cc1 ZINC001218407269 1030925388 /nfs/dbraw/zinc/92/53/88/1030925388.db2.gz OUDBKWXLMKEXCM-QFBILLFUSA-N 1 0 387.501 3.604 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c2c(oc1[C@H]1COC(C)(C)O1)OC(C)(C)O2 ZINC001218452063 1030941846 /nfs/dbraw/zinc/94/18/46/1030941846.db2.gz QNOLZHOWCIYJDC-MGPQQGTHSA-N 1 0 379.453 3.686 20 30 GHEDRO COc1cc(O[C@@H]2C[NH2+]CCC2(F)F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218455093 1030943257 /nfs/dbraw/zinc/94/32/57/1030943257.db2.gz UXCCRWDULHVHQP-MVHVFESUSA-N 1 0 389.398 3.673 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC1(c3ccccc3F)CC[NH2+]CC1)CCC2 ZINC001218548616 1030982954 /nfs/dbraw/zinc/98/29/54/1030982954.db2.gz PMMBPTJSGIBEGV-UHFFFAOYSA-N 1 0 383.492 3.898 20 30 GHEDRO C#CC[C@@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1ccccc1 ZINC001224391039 1030983891 /nfs/dbraw/zinc/98/38/91/1030983891.db2.gz ZKATUFOPYUFMET-JOCHJYFZSA-N 1 0 375.516 3.714 20 30 GHEDRO C#CC[C@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)cc(Cl)c1 ZINC001218673922 1031030050 /nfs/dbraw/zinc/03/00/50/1031030050.db2.gz KAQDROSXFSLSTP-AWEZNQCLSA-N 1 0 379.291 3.766 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)cc1Cl ZINC001151905866 1031045634 /nfs/dbraw/zinc/04/56/34/1031045634.db2.gz RTYDLFYPEKQHQW-UHFFFAOYSA-N 1 0 380.835 3.543 20 30 GHEDRO N#Cc1cccc(C[C@H]([NH3+])C(=O)Nc2cc(-c3ccccc3)cc(Cl)n2)c1 ZINC001218743516 1031061749 /nfs/dbraw/zinc/06/17/49/1031061749.db2.gz VLDMKQOWZQUDFE-SFHVURJKSA-N 1 0 376.847 3.782 20 30 GHEDRO Cc1coc(NC(=O)[C@@]2(Cc3ccc(Br)cc3)CCC[NH2+]2)c1C#N ZINC001218765509 1031071963 /nfs/dbraw/zinc/07/19/63/1031071963.db2.gz XJDCCFFASTZJHI-SFHVURJKSA-N 1 0 388.265 3.526 20 30 GHEDRO O=C(Nc1cccc(OC(F)(F)C(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001218815640 1031092651 /nfs/dbraw/zinc/09/26/51/1031092651.db2.gz DIZWYYLKKVQOGF-GZMMTYOYSA-N 1 0 388.283 3.792 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](CCO[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001224819067 1031134481 /nfs/dbraw/zinc/13/44/81/1031134481.db2.gz GGTPEJJXTNIVRP-RXVVDRJESA-N 1 0 399.535 3.796 20 30 GHEDRO CCC[C@@H](C#Cc1ccccc1)OCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001224951881 1031187936 /nfs/dbraw/zinc/18/79/36/1031187936.db2.gz GGWNZDQRCVYHFJ-QHCPKHFHSA-N 1 0 392.547 3.616 20 30 GHEDRO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218997076 1031202585 /nfs/dbraw/zinc/20/25/85/1031202585.db2.gz QYHISUODGUNLAW-OFNKIYASSA-N 1 0 388.515 3.628 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC001219084009 1031247485 /nfs/dbraw/zinc/24/74/85/1031247485.db2.gz DDNFHTUELJJNGA-UHFFFAOYSA-N 1 0 382.302 3.572 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC001219107493 1031254606 /nfs/dbraw/zinc/25/46/06/1031254606.db2.gz JPOBNEBNKWZYCU-QFIPXVFZSA-N 1 0 389.430 3.804 20 30 GHEDRO C#C[C@@H](O[C@H]1C[N@H+](Cc2ccccc2)C2(C1)CCC1(CC2)OCCO1)C(C)C ZINC001225175273 1031298366 /nfs/dbraw/zinc/29/83/66/1031298366.db2.gz RKJSDKLXPLSJJY-FGZHOGPDSA-N 1 0 383.532 3.991 20 30 GHEDRO CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219308914 1031349604 /nfs/dbraw/zinc/34/96/04/1031349604.db2.gz OTBKIDNRLOOPBI-OAQYLSRUSA-N 1 0 393.607 3.750 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C[C@@H]([NH3+])Cc1ccncc1 ZINC001219483085 1031450454 /nfs/dbraw/zinc/45/04/54/1031450454.db2.gz PKMKHVYCTLETPF-SFHVURJKSA-N 1 0 385.971 3.863 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)cc1 ZINC001219540965 1031485402 /nfs/dbraw/zinc/48/54/02/1031485402.db2.gz JVFCWRGAHGZVQX-YLJYHZDGSA-N 1 0 376.532 3.616 20 30 GHEDRO Cc1cc(NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)ncc1C#N ZINC001219692138 1031559326 /nfs/dbraw/zinc/55/93/26/1031559326.db2.gz CCBOVJCKLNNPHS-UHFFFAOYSA-N 1 0 377.492 3.686 20 30 GHEDRO N#CCc1ccnc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001219701407 1031563897 /nfs/dbraw/zinc/56/38/97/1031563897.db2.gz NMZBURHWRYZVLU-NJDAHSKKSA-N 1 0 389.503 3.570 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccn(C2CCSCC2)n1)C(C)C ZINC001219735303 1031583601 /nfs/dbraw/zinc/58/36/01/1031583601.db2.gz DBRXHLRAILTIBI-GOSISDBHSA-N 1 0 391.585 3.771 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3C#N)CC1)CC21CC[NH2+]CC1 ZINC001219757535 1031597860 /nfs/dbraw/zinc/59/78/60/1031597860.db2.gz PJUXZTZGHKFPPP-JOCHJYFZSA-N 1 0 385.511 3.781 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NC1c2ccccc2-c2ccccc21 ZINC001220067609 1031765032 /nfs/dbraw/zinc/76/50/32/1031765032.db2.gz QKWPINVJCDMFOY-PKTZIBPZSA-N 1 0 379.463 3.747 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(C)cccc3Br)CC2)C1=O ZINC001276810934 1031799514 /nfs/dbraw/zinc/79/95/14/1031799514.db2.gz ZANDDPVIECKIHI-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC001226395541 1031946007 /nfs/dbraw/zinc/94/60/07/1031946007.db2.gz AUBSPEOHGGLNNA-HXUWFJFHSA-N 1 0 393.531 3.889 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)C(C)C ZINC001220597965 1032003957 /nfs/dbraw/zinc/00/39/57/1032003957.db2.gz KTTZRVLNXUDTRK-XUVXKRRUSA-N 1 0 379.589 3.826 20 30 GHEDRO N#Cc1ccc([C@H]([NH3+])CC(=O)NCC2c3ccccc3CCc3ccccc32)cc1 ZINC001220657338 1032047102 /nfs/dbraw/zinc/04/71/02/1032047102.db2.gz CWHAEJZUOFTQFS-RUZDIDTESA-N 1 0 395.506 3.995 20 30 GHEDRO COc1cc(O[C@H](CC#N)C[N+](C)(C)C)c2c(c1)oc(-c1ccccc1)cc2=O ZINC001229265231 1033377048 /nfs/dbraw/zinc/37/70/48/1033377048.db2.gz JNBCZDZVRHNFGL-QGZVFWFLSA-N 1 0 393.463 3.836 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)ccc1F ZINC001205459539 1033422698 /nfs/dbraw/zinc/42/26/98/1033422698.db2.gz YUWNSDMCDFJXFY-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)ccc1F ZINC001205472826 1033428343 /nfs/dbraw/zinc/42/83/43/1033428343.db2.gz JJFDNCKVYPASNY-GOTSBHOMSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)ccc1F ZINC001205473455 1033428520 /nfs/dbraw/zinc/42/85/20/1033428520.db2.gz ZZAOXXVTRGGFRT-QHCPKHFHSA-N 1 0 397.469 3.955 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)ccc1F ZINC001205472656 1033428759 /nfs/dbraw/zinc/42/87/59/1033428759.db2.gz GIWOZCCTIHXFHR-XZOQPEGZSA-N 1 0 395.478 3.680 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3C[NH+]4CCC3CC4)c(C#N)c2)nc1C ZINC001229533942 1033544578 /nfs/dbraw/zinc/54/45/78/1033544578.db2.gz PWTAZYQSFDTORJ-GOSISDBHSA-N 1 0 397.500 3.640 20 30 GHEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001205781988 1033571659 /nfs/dbraw/zinc/57/16/59/1033571659.db2.gz VUWVLCWVGUCVOT-ZDUSSCGKSA-N 1 0 386.277 3.954 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001229590046 1033578640 /nfs/dbraw/zinc/57/86/40/1033578640.db2.gz DKRREAFODJFJBD-QKYXPGDISA-N 1 0 397.471 3.951 20 30 GHEDRO Cc1cc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(C#N)cc1N(C)C ZINC001205941906 1033647121 /nfs/dbraw/zinc/64/71/21/1033647121.db2.gz IAETUYSXOIPBBB-QGZVFWFLSA-N 1 0 379.508 3.575 20 30 GHEDRO CN(CC[N@H+](C)Cc1ccccc1)c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001157556419 1033656260 /nfs/dbraw/zinc/65/62/60/1033656260.db2.gz FLVQKWDEENQBCX-UHFFFAOYSA-N 1 0 379.508 3.506 20 30 GHEDRO Cc1cc(-c2noc(CC3(c4cccc(F)c4)CC[NH2+]CC3)n2)ccc1C#N ZINC001206086179 1033714194 /nfs/dbraw/zinc/71/41/94/1033714194.db2.gz LQYNBQXBEQNQIO-UHFFFAOYSA-N 1 0 376.435 3.920 20 30 GHEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(I)cc1C#N)C2 ZINC001229847137 1033748495 /nfs/dbraw/zinc/74/84/95/1033748495.db2.gz DYDMNQSAQWBQFH-ZSHCYNCHSA-N 1 0 396.272 3.945 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@](F)(C[NH3+])C3)cc2c1Cl ZINC001157817518 1033780174 /nfs/dbraw/zinc/78/01/74/1033780174.db2.gz WTPGULNMZJNSEZ-OAHLLOKOSA-N 1 0 389.208 3.835 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001158040402 1033878721 /nfs/dbraw/zinc/87/87/21/1033878721.db2.gz WCMUZOOVNJJWRB-IBGZPJMESA-N 1 0 379.426 3.963 20 30 GHEDRO COc1cccc(N(c2nc(Cl)cc(Cl)c2C#N)C2CC[NH2+]CC2)n1 ZINC001158061037 1033897359 /nfs/dbraw/zinc/89/73/59/1033897359.db2.gz VRGWCHLASPLISQ-UHFFFAOYSA-N 1 0 378.263 3.554 20 30 GHEDRO N#Cc1c(Br)cccc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001230323228 1033996384 /nfs/dbraw/zinc/99/63/84/1033996384.db2.gz JTGYYVMRHMDVMC-MRXNPFEDSA-N 1 0 387.277 3.601 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001158296442 1034010216 /nfs/dbraw/zinc/01/02/16/1034010216.db2.gz JAUJCFCOMBHAAC-UHFFFAOYSA-N 1 0 390.821 3.977 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@@H]2CC[N@H+](C)C2)cc1 ZINC001230435020 1034055038 /nfs/dbraw/zinc/05/50/38/1034055038.db2.gz BZRIYDQKOCRNFQ-RUJXFNLJSA-N 1 0 397.471 3.691 20 30 GHEDRO Cc1cnc(N(c2cc(C)nc(C)n2)C2CC[NH2+]CC2)c(C#C[Si](C)(C)C)c1 ZINC001158391209 1034058552 /nfs/dbraw/zinc/05/85/52/1034058552.db2.gz NKIIYTHLOFIUER-UHFFFAOYSA-N 1 0 393.611 3.916 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(OC(F)(F)F)c(Br)c1 ZINC001230449181 1034065270 /nfs/dbraw/zinc/06/52/70/1034065270.db2.gz YKFZZVSWXVYWCM-LLVKDONJSA-N 1 0 382.200 3.715 20 30 GHEDRO COc1ccc([C@H](C[N@H+](C)Cc2cc(C#N)n(C)c2)C2(O)CCCCC2)cc1 ZINC001207110664 1034096708 /nfs/dbraw/zinc/09/67/08/1034096708.db2.gz QHFTVVSVVZYXFB-QFIPXVFZSA-N 1 0 381.520 3.816 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)cc(Br)c1 ZINC001276510607 1034118047 /nfs/dbraw/zinc/11/80/47/1034118047.db2.gz LCTFAJCXWLLHPX-QZTJIDSGSA-N 1 0 377.326 3.899 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC001207350490 1034297189 /nfs/dbraw/zinc/29/71/89/1034297189.db2.gz RERYYPHNSGBNON-INIZCTEOSA-N 1 0 391.475 3.826 20 30 GHEDRO COC(=O)C[C@H](C#N)c1ccc(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)cc1 ZINC001230992552 1034329714 /nfs/dbraw/zinc/32/97/14/1034329714.db2.gz ANFVBROOBDITLN-DSKINZAPSA-N 1 0 393.487 3.856 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cc1C#N ZINC001231029272 1034348436 /nfs/dbraw/zinc/34/84/36/1034348436.db2.gz AALOHFRUNWVHRC-FQEVSTJZSA-N 1 0 384.863 3.580 20 30 GHEDRO CCOC(=O)[C@H]1CCCc2sc(Nc3ccc4c(c3)CC[NH2+]C4)c(C#N)c21 ZINC001159167825 1034462858 /nfs/dbraw/zinc/46/28/58/1034462858.db2.gz UTRLSUNSVUNDMR-INIZCTEOSA-N 1 0 381.501 3.992 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001231205584 1034463092 /nfs/dbraw/zinc/46/30/92/1034463092.db2.gz HBNUIGJCQBBXHW-VERUCKTNSA-N 1 0 391.918 3.963 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231469339 1034613856 /nfs/dbraw/zinc/61/38/56/1034613856.db2.gz KWQXQVVYYAMYRQ-FQEVSTJZSA-N 1 0 396.487 3.848 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001207899182 1034644447 /nfs/dbraw/zinc/64/44/47/1034644447.db2.gz PDUZFZHIIIAUOR-QHCPKHFHSA-N 1 0 391.600 3.696 20 30 GHEDRO N#Cc1cc(Nc2ccc(N3CCCCC3)cc2F)ccc1N1CC[NH2+]CC1 ZINC001159748683 1034730894 /nfs/dbraw/zinc/73/08/94/1034730894.db2.gz IODZJJZBVOKSMR-UHFFFAOYSA-N 1 0 379.483 3.841 20 30 GHEDRO N#Cc1cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159766353 1034737181 /nfs/dbraw/zinc/73/71/81/1034737181.db2.gz IECBBRNZQYAZIN-UHFFFAOYSA-N 1 0 384.439 3.790 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)CC1 ZINC001208174668 1034772771 /nfs/dbraw/zinc/77/27/71/1034772771.db2.gz GWGRZFNOBKGVJK-KJXAQDMKSA-N 1 0 381.520 3.804 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC001208175359 1034773923 /nfs/dbraw/zinc/77/39/23/1034773923.db2.gz UWAASOVMSRNEMM-NFBKMPQASA-N 1 0 380.536 3.707 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(c3ncc(Br)cn3)CC2)CC1 ZINC001208178796 1034778077 /nfs/dbraw/zinc/77/80/77/1034778077.db2.gz XCKKXJXXJKLENP-MRXNPFEDSA-N 1 0 377.330 3.664 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)c1 ZINC001231622002 1034779184 /nfs/dbraw/zinc/77/91/84/1034779184.db2.gz NWRHGMNGMGTYBM-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1cccc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC)C2)c1 ZINC001231621736 1034779224 /nfs/dbraw/zinc/77/92/24/1034779224.db2.gz HZEYLLZDPUFCGP-HXUWFJFHSA-N 1 0 381.520 3.994 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC001231621495 1034780091 /nfs/dbraw/zinc/78/00/91/1034780091.db2.gz CEGNVHNTVKBEFJ-QFIPXVFZSA-N 1 0 380.488 3.849 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1 ZINC001231622692 1034780932 /nfs/dbraw/zinc/78/09/32/1034780932.db2.gz DQMZFIOCAXFYCI-RBZQAINGSA-N 1 0 394.515 3.985 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CCO2 ZINC001208215446 1034806795 /nfs/dbraw/zinc/80/67/95/1034806795.db2.gz GZZQWQRZXZXLMA-QMHWCDLVSA-N 1 0 387.520 3.668 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCOC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001231658369 1034814195 /nfs/dbraw/zinc/81/41/95/1034814195.db2.gz UTFVBVHNCQRLMQ-HSZRJFAPSA-N 1 0 384.520 3.517 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC001231656994 1034814922 /nfs/dbraw/zinc/81/49/22/1034814922.db2.gz LEAQTELHTAIGMO-DNQXCXABSA-N 1 0 376.500 3.651 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(C)c(Cl)c3Cl)CC2)C1=O ZINC001231660798 1034816136 /nfs/dbraw/zinc/81/61/36/1034816136.db2.gz BMBMBXZLWVFCGI-UHFFFAOYSA-N 1 0 396.362 3.596 20 30 GHEDRO COc1cc(C(=O)OC(C)(C)C)ccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159996248 1034821248 /nfs/dbraw/zinc/82/12/48/1034821248.db2.gz SVXRPEGPLHKXOA-UHFFFAOYSA-N 1 0 379.460 3.953 20 30 GHEDRO CC1(C)CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC(C)(C)[NH2+]1 ZINC001208516570 1034920678 /nfs/dbraw/zinc/92/06/78/1034920678.db2.gz GAMXKEBFUMRGTP-OAHLLOKOSA-N 1 0 382.430 3.724 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)cc1 ZINC001231817654 1034927123 /nfs/dbraw/zinc/92/71/23/1034927123.db2.gz MILACNJMUUCZMB-QFIPXVFZSA-N 1 0 383.536 3.587 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC001231818715 1034927555 /nfs/dbraw/zinc/92/75/55/1034927555.db2.gz WOJGSOTYJLMUJS-JOCHJYFZSA-N 1 0 394.544 3.727 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N(C)C)cc1OC)[C@@H]2CC ZINC001231851938 1034942307 /nfs/dbraw/zinc/94/23/07/1034942307.db2.gz FDDLVHPOKODVRD-GGAORHGYSA-N 1 0 385.552 3.683 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208588593 1034944395 /nfs/dbraw/zinc/94/43/95/1034944395.db2.gz JEIDKBQQVHMDFV-FYYLOGMGSA-N 1 0 394.563 3.577 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnc(C(F)(F)F)cc3Cl)C2)C1=O ZINC001231899305 1034977657 /nfs/dbraw/zinc/97/76/57/1034977657.db2.gz HUUUIUWXGGSQBY-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO N#Cc1c[nH]c2nc(N[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3[NH3+])ccc12 ZINC001160635817 1035022042 /nfs/dbraw/zinc/02/20/42/1035022042.db2.gz UTCYCHNXBBXFGE-BBITVKMKSA-N 1 0 377.451 3.833 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001160737984 1035049440 /nfs/dbraw/zinc/04/94/40/1035049440.db2.gz LMKNIDFGWGADPG-WOJBJXKFSA-N 1 0 381.907 3.976 20 30 GHEDRO Cn1cc(C[C@H]([NH3+])C(=O)N(CCC#N)Cc2ccc(Cl)cc2)c2ccccc21 ZINC001160740261 1035051438 /nfs/dbraw/zinc/05/14/38/1035051438.db2.gz ZSGGWDZMNZZGCO-FQEVSTJZSA-N 1 0 394.906 3.644 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc2)cc1 ZINC001160744414 1035053120 /nfs/dbraw/zinc/05/31/20/1035053120.db2.gz RHDQQAZPGVRTNS-ROUUACIJSA-N 1 0 390.409 3.679 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001208851385 1035057998 /nfs/dbraw/zinc/05/79/98/1035057998.db2.gz FNUYKWPECZZABA-XMMPIXPASA-N 1 0 391.490 3.755 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CCCc3cccc(C#N)c3)C[C@H]12 ZINC001208852729 1035058917 /nfs/dbraw/zinc/05/89/17/1035058917.db2.gz RPHZKAOMUOIBMG-DQEYMECFSA-N 1 0 387.527 3.755 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+]2CCCc1ccc(C#N)cc1 ZINC001208856483 1035061178 /nfs/dbraw/zinc/06/11/78/1035061178.db2.gz ORPOKVQOVIKHKI-UHFFFAOYSA-N 1 0 399.535 3.593 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc1 ZINC001208925451 1035091477 /nfs/dbraw/zinc/09/14/77/1035091477.db2.gz BOVTZPRLMBOBDN-UHFFFAOYSA-N 1 0 393.506 3.607 20 30 GHEDRO C=CCN(CCN1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1)C(=O)OCC ZINC001209022131 1035152168 /nfs/dbraw/zinc/15/21/68/1035152168.db2.gz QKMRHMXAGPNYIR-UHFFFAOYSA-N 1 0 394.475 3.638 20 30 GHEDRO COc1ncc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1C#N ZINC001209051998 1035158568 /nfs/dbraw/zinc/15/85/68/1035158568.db2.gz SPJMTQLMZFSJCX-HXUWFJFHSA-N 1 0 393.491 3.557 20 30 GHEDRO O=C(C1=CC2(CC[NH2+]CC2)c2ccccc21)N1CCC(C#Cc2ccccc2)CC1 ZINC001161150343 1035158888 /nfs/dbraw/zinc/15/88/88/1035158888.db2.gz HMSXHGNCBVSBKN-UHFFFAOYSA-N 1 0 396.534 3.995 20 30 GHEDRO [NH3+][C@H](C(=O)N1CCC(C#Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC001161150545 1035159760 /nfs/dbraw/zinc/15/97/60/1035159760.db2.gz JVNRCAOTYRRICB-FQEVSTJZSA-N 1 0 397.316 3.739 20 30 GHEDRO CCCCCCCCCCN(C)C(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001161228564 1035185465 /nfs/dbraw/zinc/18/54/65/1035185465.db2.gz YBLLDPZFYQCYRM-SFTDATJTSA-N 1 0 385.552 3.698 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161240976 1035188993 /nfs/dbraw/zinc/18/89/93/1035188993.db2.gz MNUFHWNVFZKWSC-UHFFFAOYSA-N 1 0 391.853 3.553 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]([NH3+])Cc3cccc4ccccc43)C2)cc1 ZINC001161324201 1035208618 /nfs/dbraw/zinc/20/86/18/1035208618.db2.gz LVFNZNAMWYRQGI-VWNXMTODSA-N 1 0 399.494 3.651 20 30 GHEDRO N#Cc1c(NC2(Cc3ccccn3)CCC(F)(F)CC2)ncc2c1CCC[NH2+]C2 ZINC001161358026 1035215296 /nfs/dbraw/zinc/21/52/96/1035215296.db2.gz WRIXNTPQDFZPCW-UHFFFAOYSA-N 1 0 397.473 3.987 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)c1C#N ZINC001161364619 1035216955 /nfs/dbraw/zinc/21/69/55/1035216955.db2.gz UNYGSXDRNRJOQM-HAQNSBGRSA-N 1 0 377.279 3.767 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209373401 1035258481 /nfs/dbraw/zinc/25/84/81/1035258481.db2.gz MGDKKYFNVYZNAV-GHTZIAJQSA-N 1 0 382.545 3.508 20 30 GHEDRO Cc1cnc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)c(/C=N/O)c1 ZINC001161577577 1035262897 /nfs/dbraw/zinc/26/28/97/1035262897.db2.gz KBRFWRMEXLJQSP-KKMKTNMSSA-N 1 0 392.425 3.950 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(C[C@@H](COC)N(C(=O)c3cccn3C)C2)CC1 ZINC001209424212 1035271967 /nfs/dbraw/zinc/27/19/67/1035271967.db2.gz ODZCGGQCWQDCPZ-FQEVSTJZSA-N 1 0 387.568 3.715 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001209443496 1035274973 /nfs/dbraw/zinc/27/49/73/1035274973.db2.gz UAARUYWUYWOJJA-AQNXPRMDSA-N 1 0 386.540 3.526 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001209443679 1035275785 /nfs/dbraw/zinc/27/57/85/1035275785.db2.gz ZYQQRMKCFYZIDP-VSKRKVRLSA-N 1 0 392.584 3.678 20 30 GHEDRO CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c1C ZINC001209610389 1035330161 /nfs/dbraw/zinc/33/01/61/1035330161.db2.gz HRLAWAVNOOGKEA-SFHVURJKSA-N 1 0 381.476 3.723 20 30 GHEDRO Cc1cc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)ccc1Br ZINC001248154162 1035579900 /nfs/dbraw/zinc/57/99/00/1035579900.db2.gz JUNAJMKYMZUWAO-MRXNPFEDSA-N 1 0 397.276 3.792 20 30 GHEDRO Cc1cc(Br)ccc1-c1noc(C[C@H]([NH3+])Cc2cccc(C#N)c2)n1 ZINC001248155156 1035581437 /nfs/dbraw/zinc/58/14/37/1035581437.db2.gz SEVNICLIVDDUOA-MRXNPFEDSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cc(C(F)(F)F)ccc3F)no2)cc1 ZINC001248158017 1035584398 /nfs/dbraw/zinc/58/43/98/1035584398.db2.gz ZXMWUGDNUNAIJY-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001248181421 1035609517 /nfs/dbraw/zinc/60/95/17/1035609517.db2.gz YVJWHVUZEGBZDL-AWEZNQCLSA-N 1 0 398.253 3.899 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(C[C@H]([NH3+])c3ccc(Br)cc3)n2)c1 ZINC001248256805 1035706550 /nfs/dbraw/zinc/70/65/50/1035706550.db2.gz DPYDPYSAIGWTEA-HNNXBMFYSA-N 1 0 387.212 3.752 20 30 GHEDRO Cc1cc(-c2noc(C[C@H]([NH3+])c3ccc(Br)cc3)n2)ccc1C#N ZINC001248260097 1035708889 /nfs/dbraw/zinc/70/88/89/1035708889.db2.gz YIBJPNPOQSWAQO-INIZCTEOSA-N 1 0 383.249 3.922 20 30 GHEDRO Cc1noc2ccc(C[N@@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)cc12 ZINC001248702004 1036067393 /nfs/dbraw/zinc/06/73/93/1036067393.db2.gz AHNVRJGFBIDHQZ-HSZRJFAPSA-N 1 0 386.455 3.637 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccnc(C2=CC[C@@H](C#N)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001243795247 1036282396 /nfs/dbraw/zinc/28/23/96/1036282396.db2.gz GCJHHUUGKMMGAD-SJORKVTESA-N 1 0 396.535 3.587 20 30 GHEDRO CCn1cc(-c2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC001243836019 1036296044 /nfs/dbraw/zinc/29/60/44/1036296044.db2.gz VCVLHDCZTOESEX-UHFFFAOYSA-N 1 0 398.510 3.988 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1cc(C#C[Si](C)(C)C)ccn1 ZINC001244158112 1036401028 /nfs/dbraw/zinc/40/10/28/1036401028.db2.gz HNVBXLGQYNPBDK-UHFFFAOYSA-N 1 0 379.580 3.738 20 30 GHEDRO COCOc1ccc(C(F)(F)F)cc1-c1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001244638544 1036578977 /nfs/dbraw/zinc/57/89/77/1036578977.db2.gz GQCCBNKZPGNJCG-UHFFFAOYSA-N 1 0 391.393 3.636 20 30 GHEDRO N#Cc1cc(-c2ccc(CC[NH+]3CCOCC3)cc2)ccc1OC1CCOCC1 ZINC001245308047 1036868201 /nfs/dbraw/zinc/86/82/01/1036868201.db2.gz VMHCZBJZMKAUEL-UHFFFAOYSA-N 1 0 392.499 3.658 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2nc(/C=N/O)ccc2NC(=O)C(C)(C)C)cc1 ZINC001245335739 1036884111 /nfs/dbraw/zinc/88/41/11/1036884111.db2.gz JGZSTPFXYHAKPT-HZHRSRAPSA-N 1 0 398.507 3.872 20 30 GHEDRO N#Cc1nc(-c2ccccc2)c(-c2ccc(COC3CC[NH2+]CC3)cc2)nc1C#N ZINC001245409104 1036911955 /nfs/dbraw/zinc/91/19/55/1036911955.db2.gz AVRZSFIWVUTACV-UHFFFAOYSA-N 1 0 395.466 3.823 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=S)Nc3ccc(C#N)cc3)cc2F)CC1 ZINC001245912952 1037051921 /nfs/dbraw/zinc/05/19/21/1037051921.db2.gz AJOMWSWKAMCIOR-UHFFFAOYSA-N 1 0 383.496 3.648 20 30 GHEDRO Cc1cc(C)cc([C@@H]([NH3+])[C@H](N[C@H]2CCN[C@H](C#N)C2)c2cc(C)cc(C)c2)c1 ZINC001246336839 1037300185 /nfs/dbraw/zinc/30/01/85/1037300185.db2.gz QMPYKPLEICHSMG-CJRSTVEYSA-N 1 0 376.548 3.895 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(C[C@@H]3C[NH2+]Cc4cccn4C3)n2)cc1Cl ZINC001247099610 1037916487 /nfs/dbraw/zinc/91/64/87/1037916487.db2.gz PTRZJKBDXZLRRK-LLVKDONJSA-N 1 0 388.258 3.679 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232268811 1037992095 /nfs/dbraw/zinc/99/20/95/1037992095.db2.gz VJBOMSDVIJTRQR-UXHICEINSA-N 1 0 381.900 3.628 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC001232358872 1038138539 /nfs/dbraw/zinc/13/85/39/1038138539.db2.gz TXXVUVZHVYVXLS-ISKFKSNPSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)c(Cl)cc1OC)C2 ZINC001232372301 1038147019 /nfs/dbraw/zinc/14/70/19/1038147019.db2.gz HUXKQLJNBPYFKT-LEWJYISDSA-N 1 0 395.927 3.931 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C2CC[NH+](Cc3cc(C#N)ccn3)CC2)CC1 ZINC001232480587 1038261075 /nfs/dbraw/zinc/26/10/75/1038261075.db2.gz FAYYMJAFCNKRAJ-UHFFFAOYSA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1ccnc(CN2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001232481982 1038261687 /nfs/dbraw/zinc/26/16/87/1038261687.db2.gz NXLZHFPMGXYOOM-UHFFFAOYSA-N 1 0 390.531 3.599 20 30 GHEDRO C=CCCCNC(=S)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001247728475 1038349813 /nfs/dbraw/zinc/34/98/13/1038349813.db2.gz SIQWXFSOVPULRG-UHFFFAOYSA-N 1 0 378.611 3.723 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001232607203 1038390219 /nfs/dbraw/zinc/39/02/19/1038390219.db2.gz FZUIMHNSXMPLDB-BHDDXSALSA-N 1 0 397.906 3.945 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001232608037 1038392745 /nfs/dbraw/zinc/39/27/45/1038392745.db2.gz UAEGLTHWPPYTBE-CTNGQTDRSA-N 1 0 385.870 3.688 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(Br)c(C)n1)CC2 ZINC001232663162 1038455095 /nfs/dbraw/zinc/45/50/95/1038455095.db2.gz SGWZOFGKKINCFP-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccc1[O-])CC2 ZINC001232677834 1038476057 /nfs/dbraw/zinc/47/60/57/1038476057.db2.gz PVYXMAQZQNOVED-JOCHJYFZSA-N 1 0 391.515 3.519 20 30 GHEDRO COC(=O)c1cccc2c(C[N@@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)c[nH]c21 ZINC001232710946 1038510242 /nfs/dbraw/zinc/51/02/42/1038510242.db2.gz VBXCKBPRUUHIAW-IBGZPJMESA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001248025848 1038542848 /nfs/dbraw/zinc/54/28/48/1038542848.db2.gz GFPFFQCXTLJPRW-XMMPIXPASA-N 1 0 393.531 3.963 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(OC)c(C)cc3OC)C2)C1 ZINC001232834595 1038587646 /nfs/dbraw/zinc/58/76/46/1038587646.db2.gz YTKHCLUYAZDJQU-JOCHJYFZSA-N 1 0 388.508 3.623 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)s1 ZINC001232842691 1038593522 /nfs/dbraw/zinc/59/35/22/1038593522.db2.gz CFNDTCDOJBPJTG-RTWAWAEBSA-N 1 0 383.517 3.603 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001232892662 1038684217 /nfs/dbraw/zinc/68/42/17/1038684217.db2.gz CYKWMYVANPLLNN-UHFFFAOYSA-N 1 0 385.240 3.707 20 30 GHEDRO CN(CC[N@H+](C)Cc1ccc(Br)c(C#N)c1)C(=O)OC(C)(C)C ZINC001232892833 1038685665 /nfs/dbraw/zinc/68/56/65/1038685665.db2.gz YIJJEABJLBOSAX-UHFFFAOYSA-N 1 0 382.302 3.619 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(Br)c(C#N)c2)C[C@H]1c1ccccc1 ZINC001232896833 1038691399 /nfs/dbraw/zinc/69/13/99/1038691399.db2.gz IAXBNNAWMACMBZ-ROUUACIJSA-N 1 0 399.288 3.709 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC001232923238 1038712695 /nfs/dbraw/zinc/71/26/95/1038712695.db2.gz SLPCBWDPIMZLRE-ZWKOTPCHSA-N 1 0 384.524 3.812 20 30 GHEDRO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC001232926403 1038713506 /nfs/dbraw/zinc/71/35/06/1038713506.db2.gz NLOGPYKPVWUKJT-LEWJYISDSA-N 1 0 381.451 3.826 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc4ncoc4c3)C[C@@H]2c2ccccc2)C1=O ZINC001232939577 1038719590 /nfs/dbraw/zinc/71/95/90/1038719590.db2.gz JDWVUAICXTWTPF-YKSBVNFPSA-N 1 0 387.483 3.832 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c(C#N)c1 ZINC001232966191 1038739908 /nfs/dbraw/zinc/73/99/08/1038739908.db2.gz NRYDDDINJNPJBV-ZEQRLZLVSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1nc(CN2CC[C@]3(CCC[N@H+](Cc4ccc(C)cc4C#N)C3)C2=O)cs1 ZINC001232966807 1038741346 /nfs/dbraw/zinc/74/13/46/1038741346.db2.gz VYEMFJSOHCJBPN-QFIPXVFZSA-N 1 0 394.544 3.646 20 30 GHEDRO N#Cc1cc[nH]c1CN1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001233048514 1038805668 /nfs/dbraw/zinc/80/56/68/1038805668.db2.gz GGOPKUNMZZKPAM-UHFFFAOYSA-N 1 0 378.520 3.532 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001233082574 1038855140 /nfs/dbraw/zinc/85/51/40/1038855140.db2.gz GWEVRKRMRQUDOL-FGZHOGPDSA-N 1 0 375.472 3.852 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001252125140 1038870718 /nfs/dbraw/zinc/87/07/18/1038870718.db2.gz AXABVFPXFVLCDZ-GOTSBHOMSA-N 1 0 389.584 3.864 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001252126170 1038873565 /nfs/dbraw/zinc/87/35/65/1038873565.db2.gz MHXXZSQUHASKTC-KJXAQDMKSA-N 1 0 387.568 3.868 20 30 GHEDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)c(F)c1C#N ZINC001233098783 1038875368 /nfs/dbraw/zinc/87/53/68/1038875368.db2.gz LSOCIRKRVFOYOY-JPYJTQIMSA-N 1 0 394.494 3.839 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001252127202 1038876943 /nfs/dbraw/zinc/87/69/43/1038876943.db2.gz YKCBLUAVWCQUNA-TZIWHRDSSA-N 1 0 375.557 3.927 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@H+]1CCc2nc(C(=O)OCC)sc2CC1 ZINC001252127129 1038877549 /nfs/dbraw/zinc/87/75/49/1038877549.db2.gz XETCOLCVXARNPN-INIZCTEOSA-N 1 0 382.570 3.832 20 30 GHEDRO CN(C)c1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)c(F)c1C#N ZINC001233099611 1038877796 /nfs/dbraw/zinc/87/77/96/1038877796.db2.gz UKHCHOUJURNUPK-UHFFFAOYSA-N 1 0 380.511 3.860 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001252128182 1038879773 /nfs/dbraw/zinc/87/97/73/1038879773.db2.gz JWWMQSIUHHFPOI-FPOVZHCZSA-N 1 0 394.600 3.638 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001252128484 1038880464 /nfs/dbraw/zinc/88/04/64/1038880464.db2.gz NJVIYQLYXCWYLV-XPWALMASSA-N 1 0 390.568 3.658 20 30 GHEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c(F)c1C#N ZINC001233102403 1038883289 /nfs/dbraw/zinc/88/32/89/1038883289.db2.gz YFYUUGIXUURLIE-MRXNPFEDSA-N 1 0 390.503 3.643 20 30 GHEDRO C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233103799 1038887223 /nfs/dbraw/zinc/88/72/23/1038887223.db2.gz MQZCVBIAMFNFOH-INIZCTEOSA-N 1 0 384.474 3.781 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001252140932 1038891552 /nfs/dbraw/zinc/89/15/52/1038891552.db2.gz VJLRFBGLFJUVGV-NRFANRHFSA-N 1 0 385.552 3.864 20 30 GHEDRO CCC[C@H]1CCCC[N@@H+]1C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252320291 1038941602 /nfs/dbraw/zinc/94/16/02/1038941602.db2.gz LESPDMWUJNMMLB-LPHOPBHVSA-N 1 0 397.441 3.921 20 30 GHEDRO C[C@](O)(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323595 1038942539 /nfs/dbraw/zinc/94/25/39/1038942539.db2.gz YWAJHJHIZHXMTI-IXDGSTSKSA-N 1 0 395.425 3.531 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1O ZINC001252372014 1038959985 /nfs/dbraw/zinc/95/99/85/1038959985.db2.gz CZWWZZRSOYPVEB-BHDDXSALSA-N 1 0 387.605 3.804 20 30 GHEDRO C=C[C@](C)(O)C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252557821 1039030691 /nfs/dbraw/zinc/03/06/91/1039030691.db2.gz PWHMYXLQLRZVPJ-IPJJNNNSSA-N 1 0 389.540 3.657 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)CC1 ZINC001233452165 1039334880 /nfs/dbraw/zinc/33/48/80/1039334880.db2.gz MLLPZEJDGHYHCT-UHFFFAOYSA-N 1 0 384.398 3.631 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253248686 1039503363 /nfs/dbraw/zinc/50/33/63/1039503363.db2.gz ZQPSNGOIKFGNPC-LWYYNNOASA-N 1 0 380.573 3.967 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001233703827 1039552264 /nfs/dbraw/zinc/55/22/64/1039552264.db2.gz HDMOZNTXJBLXSB-LJQANCHMSA-N 1 0 379.456 3.872 20 30 GHEDRO CC(C)(C)OC[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001253459534 1039651459 /nfs/dbraw/zinc/65/14/59/1039651459.db2.gz JLZOBCYVNGBHOY-QFIPXVFZSA-N 1 0 377.488 3.608 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]cn1 ZINC001253566044 1039707439 /nfs/dbraw/zinc/70/74/39/1039707439.db2.gz WCRMTZALWGEZAK-OAQYLSRUSA-N 1 0 394.604 3.720 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1CC[C@H](O)C1 ZINC001253614000 1039723793 /nfs/dbraw/zinc/72/37/93/1039723793.db2.gz GVTYYORQSBGGDU-FDFHNCONSA-N 1 0 387.605 3.804 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1cccnn1 ZINC001253615078 1039724794 /nfs/dbraw/zinc/72/47/94/1039724794.db2.gz ZWXBGMZTSONMBE-JOCHJYFZSA-N 1 0 395.588 3.881 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC001253616598 1039729065 /nfs/dbraw/zinc/72/90/65/1039729065.db2.gz HDXPNVZPEOGTOB-FCHUYYIVSA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCC1COC1 ZINC001253617811 1039730133 /nfs/dbraw/zinc/73/01/33/1039730133.db2.gz YHCHIXDXKJPPEC-QFIPXVFZSA-N 1 0 387.605 3.928 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(OCC#N)cc1 ZINC001253891713 1039882135 /nfs/dbraw/zinc/88/21/35/1039882135.db2.gz LTXLDMLYHXAJRF-ROUUACIJSA-N 1 0 378.476 3.716 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC001254063161 1039979773 /nfs/dbraw/zinc/97/97/73/1039979773.db2.gz MYCMUJSNCCILQD-QFIPXVFZSA-N 1 0 398.510 3.752 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001254306099 1040157022 /nfs/dbraw/zinc/15/70/22/1040157022.db2.gz MGSPMBLRTDGVEP-CNNODRBYSA-N 1 0 394.556 3.602 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccc(-n3cccn3)nc2)CC1 ZINC001254348901 1040181661 /nfs/dbraw/zinc/18/16/61/1040181661.db2.gz DIKSPCKYVPHOFR-UHFFFAOYSA-N 1 0 375.451 3.900 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCN(Cc3ccccn3)C2)CC1 ZINC001254348990 1040182163 /nfs/dbraw/zinc/18/21/63/1040182163.db2.gz FZQWJJCIJZJEGY-GTMAMOSYSA-N 1 0 378.495 3.789 20 30 GHEDRO CC(=O)N1CCC2(C1)CC[NH+](C1CCC(C#N)(c3ccc(F)cc3)CC1)CC2 ZINC001254353581 1040186181 /nfs/dbraw/zinc/18/61/81/1040186181.db2.gz FJNRBHAMVLMXJA-UHFFFAOYSA-N 1 0 383.511 3.864 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](C3CCC(C#N)(c4ccc(F)cc4)CC3)C[C@H]21 ZINC001254354636 1040186827 /nfs/dbraw/zinc/18/68/27/1040186827.db2.gz VBJSHVVKGXBTHO-SDVQCAHRSA-N 1 0 399.510 3.985 20 30 GHEDRO CCOC(=O)[C@@H]1CSCCN1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359679 1040190983 /nfs/dbraw/zinc/19/09/83/1040190983.db2.gz NNPMJVRNNQNMCI-FDYSRKEFSA-N 1 0 376.497 3.510 20 30 GHEDRO CCC[C@H](C)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC001234818402 1040349003 /nfs/dbraw/zinc/34/90/03/1040349003.db2.gz XPLFXZMOLJSXIP-SXNPGTFUSA-N 1 0 399.531 3.880 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(Cc2ccccn2)([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254648945 1040417636 /nfs/dbraw/zinc/41/76/36/1040417636.db2.gz PHEOSQZWQZIUJI-ZWKOTPCHSA-N 1 0 384.524 3.676 20 30 GHEDRO COC(=O)C(C[NH2+][C@H]1CC[C@H](C#N)C1)(Cc1ccccc1)Cc1ccccc1 ZINC001254647888 1040418198 /nfs/dbraw/zinc/41/81/98/1040418198.db2.gz WOIXZFCRJOZPSN-VXKWHMMOSA-N 1 0 376.500 3.913 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(Cc2cccnc2)([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254649632 1040418500 /nfs/dbraw/zinc/41/85/00/1040418500.db2.gz UXBUIOCTCYFZRI-MJGOQNOKSA-N 1 0 384.524 3.676 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3Br)CC2)C1 ZINC001254656585 1040423004 /nfs/dbraw/zinc/42/30/04/1040423004.db2.gz JZVNEAYPZLDLBV-VGWMRTNUSA-N 1 0 390.325 3.772 20 30 GHEDRO COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254659276 1040423117 /nfs/dbraw/zinc/42/31/17/1040423117.db2.gz NAIYVXOMTFXCSX-YOEHRIQHSA-N 1 0 381.501 3.690 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3Br)CC2)C1 ZINC001254656583 1040423394 /nfs/dbraw/zinc/42/33/94/1040423394.db2.gz JZVNEAYPZLDLBV-FPCVCCKLSA-N 1 0 390.325 3.772 20 30 GHEDRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)Oc2ccccc21 ZINC001254663164 1040424577 /nfs/dbraw/zinc/42/45/77/1040424577.db2.gz OWOVXNKQPQZFSY-AQNXPRMDSA-N 1 0 395.547 3.994 20 30 GHEDRO N#C[C@H]1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)C1 ZINC001254665044 1040427070 /nfs/dbraw/zinc/42/70/70/1040427070.db2.gz LKEYWODCNZZCOK-UYLMIGBBSA-N 1 0 386.499 3.596 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008262 1040498238 /nfs/dbraw/zinc/49/82/38/1040498238.db2.gz PRSDPTTUBGAMDX-XMMPIXPASA-N 1 0 390.531 3.528 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1)c1cccc(C#N)c1 ZINC001254812481 1040571460 /nfs/dbraw/zinc/57/14/60/1040571460.db2.gz LDNQDZIKLBYHOJ-RTBURBONSA-N 1 0 385.508 3.767 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254825375 1040577570 /nfs/dbraw/zinc/57/75/70/1040577570.db2.gz BYPVASIJFODPRZ-TZIWHRDSSA-N 1 0 396.531 3.778 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254859157 1040604017 /nfs/dbraw/zinc/60/40/17/1040604017.db2.gz CHTDEDFZEBQKTF-LJQANCHMSA-N 1 0 388.353 3.791 20 30 GHEDRO CC[C@@H]([NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC001255055041 1040754239 /nfs/dbraw/zinc/75/42/39/1040754239.db2.gz MSLDSTROLVXVLD-RAFMOHDBSA-N 1 0 385.508 3.766 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C#N)c1 ZINC001278835501 1040760023 /nfs/dbraw/zinc/76/00/23/1040760023.db2.gz BNCFSNXYDFEELB-UHFFFAOYSA-N 1 0 399.922 3.961 20 30 GHEDRO COc1cc(C#N)ccc1OC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255118326 1040807649 /nfs/dbraw/zinc/80/76/49/1040807649.db2.gz CYBKHTRDCCOQPE-NRFANRHFSA-N 1 0 391.515 3.685 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc3ccccc3n1)C2 ZINC001255227403 1040916431 /nfs/dbraw/zinc/91/64/31/1040916431.db2.gz JAGLGSLRWYJACM-BJWYYQGGSA-N 1 0 380.492 3.871 20 30 GHEDRO CSc1ccc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC001255377600 1040969651 /nfs/dbraw/zinc/96/96/51/1040969651.db2.gz RKUQQAZXJIMLOO-KRWDZBQOSA-N 1 0 394.544 3.696 20 30 GHEDRO CCn1ncc2c1CN(Cc1ccccc1CC#N)C[C@H]2COc1cccnc1 ZINC001235515066 1040970522 /nfs/dbraw/zinc/97/05/22/1040970522.db2.gz NZCCYNNHIPQHOZ-FQEVSTJZSA-N 1 0 387.487 3.542 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001235518932 1040973468 /nfs/dbraw/zinc/97/34/68/1040973468.db2.gz PBNGALOSLAPCQK-DNQXCXABSA-N 1 0 391.515 3.736 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](C#N)(N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255385611 1040974927 /nfs/dbraw/zinc/97/49/27/1040974927.db2.gz IWZIHJAXMOKSAM-OFNKIYASSA-N 1 0 398.551 3.534 20 30 GHEDRO N#Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255486935 1041085946 /nfs/dbraw/zinc/08/59/46/1041085946.db2.gz MHQURBAWXXEGAR-KRWDZBQOSA-N 1 0 375.388 3.506 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@@H]21 ZINC001235656400 1041106389 /nfs/dbraw/zinc/10/63/89/1041106389.db2.gz DGVXBRUNFUPMTB-HFJQGTKSSA-N 1 0 396.485 3.964 20 30 GHEDRO COCCN(Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236327383 1041672832 /nfs/dbraw/zinc/67/28/32/1041672832.db2.gz FDLAEJFDYJSVGS-HSZRJFAPSA-N 1 0 378.520 3.527 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001256297932 1041690894 /nfs/dbraw/zinc/69/08/94/1041690894.db2.gz TXSKDRFCVISQFM-HXUWFJFHSA-N 1 0 385.508 3.801 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc(OCC)c(F)c1)CC2 ZINC001236690127 1041833938 /nfs/dbraw/zinc/83/39/38/1041833938.db2.gz KOLQIYKCOXNLCB-UHFFFAOYSA-N 1 0 391.487 3.620 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(Br)c2)C[C@H]1c1ccccc1 ZINC001236861843 1041932489 /nfs/dbraw/zinc/93/24/89/1041932489.db2.gz VGUBCTVTRXTVNI-ROUUACIJSA-N 1 0 399.288 3.709 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc4nccc(Cl)c4c3)CC2)nc1 ZINC001237270011 1042115596 /nfs/dbraw/zinc/11/55/96/1042115596.db2.gz MFDRRLWLPCLSIG-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](Oc4ccccc4C#N)C3)ccc2[nH]1 ZINC001237318289 1042144319 /nfs/dbraw/zinc/14/43/19/1042144319.db2.gz AKINGYSKVGIMNM-IBGZPJMESA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3c(Cl)ccc(C)c3Cl)CC2)C1=O ZINC001237337215 1042155356 /nfs/dbraw/zinc/15/53/56/1042155356.db2.gz UBVBWHGVLIJEIZ-UHFFFAOYSA-N 1 0 396.362 3.596 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC001237352685 1042163500 /nfs/dbraw/zinc/16/35/00/1042163500.db2.gz IMCFCHVRMVLCAA-UHFFFAOYSA-N 1 0 384.398 3.648 20 30 GHEDRO COCCO[C@H]1CCC2(CC[NH+](Cc3ccnc(C#N)c3)CC2)c2ccccc21 ZINC001237463820 1042218685 /nfs/dbraw/zinc/21/86/85/1042218685.db2.gz NEFPUHUDJWRQKT-QHCPKHFHSA-N 1 0 391.515 3.985 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237467988 1042220161 /nfs/dbraw/zinc/22/01/61/1042220161.db2.gz JFYZLPDANRHKSS-DYESRHJHSA-N 1 0 394.519 3.881 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)[C@H]2CC ZINC001237467198 1042220319 /nfs/dbraw/zinc/22/03/19/1042220319.db2.gz OSNWWYZKMQJDNZ-UPVQGACJSA-N 1 0 390.531 3.972 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C[C@@H]1c1ccc(F)cc1 ZINC001237473296 1042223639 /nfs/dbraw/zinc/22/36/39/1042223639.db2.gz WBPCVIOBFGKFGF-RTWAWAEBSA-N 1 0 391.446 3.578 20 30 GHEDRO N#Cc1ccc2nc(CN3CCC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cn2c1 ZINC001237618986 1042286026 /nfs/dbraw/zinc/28/60/26/1042286026.db2.gz VVLODLJWGIFSFX-DEOSSOPVSA-N 1 0 385.515 3.694 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)C1 ZINC001237681043 1042321498 /nfs/dbraw/zinc/32/14/98/1042321498.db2.gz KMNYFLOIDDIWEH-HXUWFJFHSA-N 1 0 378.900 3.965 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)c1 ZINC001237747869 1042351119 /nfs/dbraw/zinc/35/11/19/1042351119.db2.gz FDBUULXNYACGMV-UHFFFAOYSA-N 1 0 383.879 3.933 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)C1 ZINC001237748191 1042351748 /nfs/dbraw/zinc/35/17/48/1042351748.db2.gz HJYHWCVAEAVVMP-INIZCTEOSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c(Cl)c1 ZINC001238082198 1042485272 /nfs/dbraw/zinc/48/52/72/1042485272.db2.gz IEKHRYDAQUMKCM-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccc(Cl)c(C#N)c4)C3)CC2=O)c1 ZINC001238190388 1042514309 /nfs/dbraw/zinc/51/43/09/1042514309.db2.gz FYBRMBVZSQTBLX-JOCHJYFZSA-N 1 0 390.874 3.712 20 30 GHEDRO N#Cc1cc(CN2CCCN(c3nccc(C(F)(F)F)n3)CC2)ccc1Cl ZINC001238194152 1042515467 /nfs/dbraw/zinc/51/54/67/1042515467.db2.gz JSOCPQBNQWUHSD-UHFFFAOYSA-N 1 0 395.816 3.733 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)ccc1C#N ZINC001238406424 1042586264 /nfs/dbraw/zinc/58/62/64/1042586264.db2.gz CLGIXKJGXPIGON-WWNPGLIZSA-N 1 0 390.531 3.694 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)ccc1C#N ZINC001238408119 1042586768 /nfs/dbraw/zinc/58/67/68/1042586768.db2.gz RIPSJFOHDIGZJH-OAQYLSRUSA-N 1 0 384.520 3.612 20 30 GHEDRO COc1cc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)ccc1C#N ZINC001238407478 1042586859 /nfs/dbraw/zinc/58/68/59/1042586859.db2.gz NGRGFBFJAZDTPD-OAQYLSRUSA-N 1 0 398.457 3.700 20 30 GHEDRO CSc1ncc(C)cc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001238716382 1042698925 /nfs/dbraw/zinc/69/89/25/1042698925.db2.gz NHLRWMRYGKQELP-JOCHJYFZSA-N 1 0 392.528 3.613 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)ccc1C#N ZINC001238761045 1042717396 /nfs/dbraw/zinc/71/73/96/1042717396.db2.gz RQCPAFLUBQTAFI-XMMPIXPASA-N 1 0 391.490 3.884 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)ccc1C#N ZINC001238763206 1042718837 /nfs/dbraw/zinc/71/88/37/1042718837.db2.gz QBWATSBOGIKZJY-UHFFFAOYSA-N 1 0 375.520 3.793 20 30 GHEDRO CCCCCCCCNC(=O)N[C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001239224824 1042789452 /nfs/dbraw/zinc/78/94/52/1042789452.db2.gz GIUPMTQZVQRPKF-FQEVSTJZSA-N 1 0 391.556 3.887 20 30 GHEDRO O=C(NC[C@H]1CC[NH2+]C[C@H]1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239226244 1042790200 /nfs/dbraw/zinc/79/02/00/1042790200.db2.gz AAAZHTJAKWUBNB-PRHODGIISA-N 1 0 387.299 3.793 20 30 GHEDRO N#Cc1cccc(NC(=O)NC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)c1 ZINC001239245424 1042795825 /nfs/dbraw/zinc/79/58/25/1042795825.db2.gz MQQANPAHNUXJEY-UHFFFAOYSA-N 1 0 388.393 3.977 20 30 GHEDRO N#Cc1cc(NC(=S)Nc2cccc3ccccc32)ccc1N1CC[NH2+]CC1 ZINC001239343454 1042810579 /nfs/dbraw/zinc/81/05/79/1042810579.db2.gz APLXXOAZTMXWDZ-UHFFFAOYSA-N 1 0 387.512 3.930 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C#N)cc1)CC21CC[NH2+]CC1 ZINC001239364386 1042813794 /nfs/dbraw/zinc/81/37/94/1042813794.db2.gz ZZDQKWFBWVTJTJ-HXUWFJFHSA-N 1 0 376.529 3.919 20 30 GHEDRO CCCCCCCCNC(=S)N[C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001239388308 1042820039 /nfs/dbraw/zinc/82/00/39/1042820039.db2.gz FNBBDOVQWNIEFI-IBGZPJMESA-N 1 0 393.597 3.662 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239433717 1042828455 /nfs/dbraw/zinc/82/84/55/1042828455.db2.gz IKNKXEWSZDDPED-LSDHHAIUSA-N 1 0 396.482 3.985 20 30 GHEDRO N#CC1(c2cccnc2-c2cnc3ccnn3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001240422049 1042928144 /nfs/dbraw/zinc/92/81/44/1042928144.db2.gz BZENAGYMZQREMN-UHFFFAOYSA-N 1 0 394.482 3.849 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3nc4c(c(C#N)c3C#N)CCCCCC4)cc2)CC1 ZINC001240850775 1042958350 /nfs/dbraw/zinc/95/83/50/1042958350.db2.gz YBDMQWZUPMSHJC-UHFFFAOYSA-N 1 0 385.515 3.903 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001291181874 1043143371 /nfs/dbraw/zinc/14/33/71/1043143371.db2.gz VSLACYWPURLHKD-IBGZPJMESA-N 1 0 392.551 3.785 20 30 GHEDRO CC1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC(C#N)CC2)CC1 ZINC001291182520 1043144689 /nfs/dbraw/zinc/14/46/89/1043144689.db2.gz PSSQIVJOABFZFW-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001291437767 1043254650 /nfs/dbraw/zinc/25/46/50/1043254650.db2.gz REVDQUAXJYRKKJ-RBUKOAKNSA-N 1 0 394.567 3.836 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001256518498 1043442836 /nfs/dbraw/zinc/44/28/36/1043442836.db2.gz SHYGQKKSXHKVDY-OALUTQOASA-N 1 0 388.508 3.616 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)CC1 ZINC001291768305 1043451665 /nfs/dbraw/zinc/45/16/65/1043451665.db2.gz VCQHIQZFSZMOCY-SFHVURJKSA-N 1 0 380.540 3.783 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256601409 1043566134 /nfs/dbraw/zinc/56/61/34/1043566134.db2.gz XFTUIMCQHAZQMV-UHFFFAOYSA-N 1 0 388.559 3.777 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256793587 1043653701 /nfs/dbraw/zinc/65/37/01/1043653701.db2.gz CHOOPZDVGAZOSO-FYYLOGMGSA-N 1 0 389.499 3.673 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001292458138 1043743361 /nfs/dbraw/zinc/74/33/61/1043743361.db2.gz LHLDYEWLFYXARQ-GOSISDBHSA-N 1 0 394.567 3.978 20 30 GHEDRO CCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292464004 1043746522 /nfs/dbraw/zinc/74/65/22/1043746522.db2.gz ZLRPWVHSJAGRJR-NRFANRHFSA-N 1 0 394.567 3.836 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C[NH2+]C3CCC(C#N)CC3)O2)CC1 ZINC001256950447 1043770306 /nfs/dbraw/zinc/77/03/06/1043770306.db2.gz DTFWXOKYAVIZGI-ABHNRTSZSA-N 1 0 377.529 3.607 20 30 GHEDRO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](C4CCC(C#N)CC4)C3)C2)cc1 ZINC001256967008 1043777402 /nfs/dbraw/zinc/77/74/02/1043777402.db2.gz SCLQWRDHPPMFIV-YABDQXBESA-N 1 0 383.536 3.696 20 30 GHEDRO CCOC[C@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)Cc2ncn(C)c21 ZINC001257018607 1043802148 /nfs/dbraw/zinc/80/21/48/1043802148.db2.gz YLUCBYNQPXURKJ-NYLDSWQDSA-N 1 0 378.520 3.954 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)C[C@H](C)O1 ZINC001257083338 1043835206 /nfs/dbraw/zinc/83/52/06/1043835206.db2.gz GZWRLMMUADJDJO-BBIADKPPSA-N 1 0 388.511 3.869 20 30 GHEDRO CC(C)[C@@H]1C[C@H]([NH2+]CCOc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001257178202 1043919885 /nfs/dbraw/zinc/91/98/85/1043919885.db2.gz FVOSOWGWHJMFFI-QUCCMNQESA-N 1 0 387.524 3.951 20 30 GHEDRO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C1CCN(S(C)(=O)=O)CC1 ZINC001257241569 1043943551 /nfs/dbraw/zinc/94/35/51/1043943551.db2.gz WJXUDYBREDMAQY-SFHVURJKSA-N 1 0 397.544 3.545 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccc(Br)c(F)c1)C(C)C ZINC001292958080 1043965418 /nfs/dbraw/zinc/96/54/18/1043965418.db2.gz SICXEWASAOUOGQ-SFHVURJKSA-N 1 0 397.332 3.946 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC001292984356 1043972691 /nfs/dbraw/zinc/97/26/91/1043972691.db2.gz AKJCYOMAOHXLNJ-QGZVFWFLSA-N 1 0 398.334 3.821 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001257593822 1044078901 /nfs/dbraw/zinc/07/89/01/1044078901.db2.gz IWBFXADSTZZDKE-YESZJQIVSA-N 1 0 395.544 3.540 20 30 GHEDRO C=C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OCC)C1)c1ccccc1 ZINC001257613656 1044086629 /nfs/dbraw/zinc/08/66/29/1044086629.db2.gz NUUHVNVNZSGKOQ-OTWHNJEPSA-N 1 0 388.508 3.835 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H]3CCc4c(ccc(=O)n4Cc4cccnc4)C3)C[C@H](C1)C2 ZINC001257887195 1044244759 /nfs/dbraw/zinc/24/47/59/1044244759.db2.gz WYRCLSPMKJOSQS-IHASJPSXSA-N 1 0 389.543 3.873 20 30 GHEDRO C=C1C[C@@H]2CC(N3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)C[C@H](C1)C2 ZINC001257892504 1044248018 /nfs/dbraw/zinc/24/80/18/1044248018.db2.gz ZUEWJFMLCCCBCU-AAOJFNKRSA-N 1 0 395.595 3.588 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccnc2)C1 ZINC001258043996 1044367389 /nfs/dbraw/zinc/36/73/89/1044367389.db2.gz ILZPDAZURTZXKT-KJXAQDMKSA-N 1 0 387.568 3.928 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H](C)CCCC(=O)OCC)CC2)C1 ZINC001258117973 1044405196 /nfs/dbraw/zinc/40/51/96/1044405196.db2.gz SQZVPKGQXPWCCF-GOSISDBHSA-N 1 0 380.529 3.609 20 30 GHEDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cccc(-c4cccc(C#N)c4)c3)o2)C[C@H](C)O1 ZINC001258152836 1044441562 /nfs/dbraw/zinc/44/15/62/1044441562.db2.gz LXZIJXBBBPPGBD-CALCHBBNSA-N 1 0 388.471 3.927 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+](C2CCCCCCC2)CC1 ZINC001258239925 1044482207 /nfs/dbraw/zinc/48/22/07/1044482207.db2.gz GNDZMVHIOFSLCF-UHFFFAOYSA-N 1 0 384.524 3.673 20 30 GHEDRO CC1(C)CCC[C@@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)C1 ZINC001258287391 1044492951 /nfs/dbraw/zinc/49/29/51/1044492951.db2.gz ZMSQKOYHPFUIAU-NFBKMPQASA-N 1 0 382.552 3.841 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCN(c3cccc(F)c3)CC1)C2 ZINC001258421212 1044554170 /nfs/dbraw/zinc/55/41/70/1044554170.db2.gz CNGGAQNMAUETAK-PKTZIBPZSA-N 1 0 388.527 3.868 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCN(c3cccc(F)c3)CC1)CC2 ZINC001258424391 1044558571 /nfs/dbraw/zinc/55/85/71/1044558571.db2.gz ZLTDLHOYJGYUFN-QHCPKHFHSA-N 1 0 385.527 3.828 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C3CCN(c4ccccc4Cl)CC3)C2)C1=O ZINC001258543589 1044619502 /nfs/dbraw/zinc/61/95/02/1044619502.db2.gz WPLVYFHFZQPVIB-JOCHJYFZSA-N 1 0 387.955 3.809 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2O[C@H](C(=O)NCCOC)C[C@H]21 ZINC001258714783 1044732089 /nfs/dbraw/zinc/73/20/89/1044732089.db2.gz VUZPXLIDRLZRCV-BQJUDKOJSA-N 1 0 382.589 3.756 20 30 GHEDRO C=CCC[C@H](C)[NH2+][C@H](CC(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258719458 1044733408 /nfs/dbraw/zinc/73/34/08/1044733408.db2.gz DMZCQUOPSLHCGL-FUHWJXTLSA-N 1 0 382.545 3.900 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)CC1 ZINC001294676729 1044760326 /nfs/dbraw/zinc/76/03/26/1044760326.db2.gz AYWDLPZMXCBCIE-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001295367049 1044990301 /nfs/dbraw/zinc/99/03/01/1044990301.db2.gz SDIAGHGIHBUPFT-NSISKUIASA-N 1 0 378.524 3.536 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCc2cnc(SC3CCCC3)nc2)c1 ZINC001261437541 1045998770 /nfs/dbraw/zinc/99/87/70/1045998770.db2.gz FANPHSBDJWBYCU-UHFFFAOYSA-N 1 0 395.532 3.544 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300800143 1046168149 /nfs/dbraw/zinc/16/81/49/1046168149.db2.gz NBEVJSTUIZXFKW-NZQKXSOJSA-N 1 0 394.567 3.776 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccsc2C#N)CCCC1)c1ccccc1 ZINC001463035695 1070746962 /nfs/dbraw/zinc/74/69/62/1070746962.db2.gz NMBVBOXDUXBWEX-OAHLLOKOSA-N 1 0 389.546 3.562 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300917893 1046239877 /nfs/dbraw/zinc/23/98/77/1046239877.db2.gz OJEMIWMWBJNJMY-LJQANCHMSA-N 1 0 391.604 3.770 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)CCCC)CC1 ZINC001301073019 1046319588 /nfs/dbraw/zinc/31/95/88/1046319588.db2.gz VIGVEIYVSJTDBN-UHFFFAOYSA-N 1 0 378.524 3.705 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001301074762 1046321405 /nfs/dbraw/zinc/32/14/05/1046321405.db2.gz JKRDHPWSECVERJ-FQEVSTJZSA-N 1 0 395.551 3.985 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301087332 1046330480 /nfs/dbraw/zinc/33/04/80/1046330480.db2.gz BWUUJLXKQXDHCB-UHFFFAOYSA-N 1 0 394.567 3.542 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301096974 1046338861 /nfs/dbraw/zinc/33/88/61/1046338861.db2.gz LHDYAPMZJNMBLB-VQTJNVASSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001301126306 1046359796 /nfs/dbraw/zinc/35/97/96/1046359796.db2.gz SLZBFVHGKUVXFI-HXUWFJFHSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CC1CCN(c2nnc(COCC)n2C[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001301135130 1046365433 /nfs/dbraw/zinc/36/54/33/1046365433.db2.gz SSQFLNXUJWUWNM-IBGZPJMESA-N 1 0 399.539 3.647 20 30 GHEDRO C=CCn1c(N2CC[C@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)COC(C)(C)C ZINC001262941314 1046439379 /nfs/dbraw/zinc/43/93/79/1046439379.db2.gz IDZGIJIHLKSALX-SFHVURJKSA-N 1 0 389.588 3.621 20 30 GHEDRO C=CCN(c1nnc(CC2CCCC2)n1C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC001301330397 1046493986 /nfs/dbraw/zinc/49/39/86/1046493986.db2.gz ZAAPUWVOGBBODX-OAQYLSRUSA-N 1 0 389.613 3.603 20 30 GHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301435688 1046545093 /nfs/dbraw/zinc/54/50/93/1046545093.db2.gz LMXWXENWQIALDL-UHFFFAOYSA-N 1 0 391.466 3.653 20 30 GHEDRO C=CCn1c(CC2CCCC2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001301467702 1046553992 /nfs/dbraw/zinc/55/39/92/1046553992.db2.gz DITHEJNTKJTGMX-OAQYLSRUSA-N 1 0 379.552 3.908 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001301539712 1046586620 /nfs/dbraw/zinc/58/66/20/1046586620.db2.gz WACFFKSOPAKWFR-SLFFLAALSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001301539672 1046586770 /nfs/dbraw/zinc/58/67/70/1046586770.db2.gz VKYVIOHBLOJKKD-HXUWFJFHSA-N 1 0 389.588 3.837 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC[C@H]1CC ZINC001263278494 1046670913 /nfs/dbraw/zinc/67/09/13/1046670913.db2.gz KWVMPRZDXPSAIH-QUCCMNQESA-N 1 0 387.572 3.939 20 30 GHEDRO C=C(C)Cn1c(-c2nccs2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001263287672 1046682125 /nfs/dbraw/zinc/68/21/25/1046682125.db2.gz PDGXEQNZNICNCT-UHFFFAOYSA-N 1 0 386.569 3.823 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(COC)o2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001263322527 1046711313 /nfs/dbraw/zinc/71/13/13/1046711313.db2.gz QBMFOVHGKOEGEJ-UHFFFAOYSA-N 1 0 387.528 3.571 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2-c2ccco2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001263326359 1046714387 /nfs/dbraw/zinc/71/43/87/1046714387.db2.gz QJCNVVBRWUSWQI-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001263347399 1046731180 /nfs/dbraw/zinc/73/11/80/1046731180.db2.gz OMPFLLCRLZQXPH-LJQANCHMSA-N 1 0 398.555 3.766 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC001301880038 1046743081 /nfs/dbraw/zinc/74/30/81/1046743081.db2.gz IOLORGLFSPTVMT-UWJYYQICSA-N 1 0 379.529 3.677 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001301953545 1046759180 /nfs/dbraw/zinc/75/91/80/1046759180.db2.gz SSFOOALHWCXVHE-SJORKVTESA-N 1 0 384.528 3.602 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 ZINC001302063608 1046798314 /nfs/dbraw/zinc/79/83/14/1046798314.db2.gz HKQYFVZLCYENJJ-UHFFFAOYSA-N 1 0 391.519 3.512 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001302738066 1047077177 /nfs/dbraw/zinc/07/71/77/1047077177.db2.gz UHBKUCHFGGZFHZ-NHCUHLMSSA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001302820616 1047122944 /nfs/dbraw/zinc/12/29/44/1047122944.db2.gz RGRGSQNABUFFAV-GCJKJVERSA-N 1 0 388.604 3.973 20 30 GHEDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001264012662 1047214741 /nfs/dbraw/zinc/21/47/41/1047214741.db2.gz SYNDZKUGEXEPIW-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)c(Br)c1 ZINC000590192523 1047216600 /nfs/dbraw/zinc/21/66/00/1047216600.db2.gz DWQFHLDYBUFLNQ-VIFPVBQESA-N 1 0 382.258 3.811 20 30 GHEDRO Cc1nc(SCC(=O)N(C)CCCC[NH+]2CCCCC2)c(C#N)c(C)c1C ZINC001303047900 1047260535 /nfs/dbraw/zinc/26/05/35/1047260535.db2.gz ZLSHLRAKEMQSBD-UHFFFAOYSA-N 1 0 388.581 3.695 20 30 GHEDRO C[C@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001303755747 1047505692 /nfs/dbraw/zinc/50/56/92/1047505692.db2.gz YMFMBACUWJUSFF-PGRDOPGGSA-N 1 0 386.588 3.828 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611403524 1047506576 /nfs/dbraw/zinc/50/65/76/1047506576.db2.gz QLWJNCXZICDRQA-NEKRLJHISA-N 1 0 386.496 3.955 20 30 GHEDRO Cc1nnc(N(CCC#N)CCC(C)C)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001304214179 1047616637 /nfs/dbraw/zinc/61/66/37/1047616637.db2.gz VQNVIZFSHCRSRP-UHFFFAOYSA-N 1 0 395.555 3.705 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001304294527 1047637013 /nfs/dbraw/zinc/63/70/13/1047637013.db2.gz QWGGBARVOGGKQP-BRWVUGGUSA-N 1 0 384.528 3.705 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304451406 1047681751 /nfs/dbraw/zinc/68/17/51/1047681751.db2.gz NZHABSGFPRIWCG-UYAOXDASSA-N 1 0 395.555 3.507 20 30 GHEDRO C=CCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1ccsc1 ZINC001279271565 1047752686 /nfs/dbraw/zinc/75/26/86/1047752686.db2.gz QQAVWNJSIJNXSJ-BGYRXZFFSA-N 1 0 376.566 3.729 20 30 GHEDRO C[C@H]1C[C@@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304954333 1047819574 /nfs/dbraw/zinc/81/95/74/1047819574.db2.gz XJEKKCBNJRWUDS-LPHOPBHVSA-N 1 0 378.524 3.708 20 30 GHEDRO C[C@@H]1C[C@@H]1n1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304959645 1047822080 /nfs/dbraw/zinc/82/20/80/1047822080.db2.gz HOBUDFMCXNZMBI-XLIONFOSSA-N 1 0 392.551 3.956 20 30 GHEDRO C=CCCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1nnco1 ZINC001279834131 1047963475 /nfs/dbraw/zinc/96/34/75/1047963475.db2.gz FVFUVAFNLXKUHX-INIZCTEOSA-N 1 0 378.542 3.732 20 30 GHEDRO Cc1csc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CC(CC#N)C2)c1Cl ZINC001279877153 1047978371 /nfs/dbraw/zinc/97/83/71/1047978371.db2.gz RFLPDBAVOCKMHQ-YQYZPQCESA-N 1 0 377.941 3.586 20 30 GHEDRO CCCCCCCNC(=S)N1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279957581 1048011437 /nfs/dbraw/zinc/01/14/37/1048011437.db2.gz XNBYQCVDCFOOIS-UHFFFAOYSA-N 1 0 377.602 3.543 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305449386 1048061649 /nfs/dbraw/zinc/06/16/49/1048061649.db2.gz FWQIUXUEYRXNPF-FIKGOQFSSA-N 1 0 390.551 3.744 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305449387 1048062201 /nfs/dbraw/zinc/06/22/01/1048062201.db2.gz FWQIUXUEYRXNPF-LLGFUMIMSA-N 1 0 390.551 3.744 20 30 GHEDRO CC(C)C[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001280245828 1048145574 /nfs/dbraw/zinc/14/55/74/1048145574.db2.gz VQJIMCWNHJFQHR-INIZCTEOSA-N 1 0 389.590 3.901 20 30 GHEDRO CCCC[C@@H](CC)C[N@@H+]1CCCC2(CCN(S(=O)(=O)[C@H](C)C#N)CC2)C1 ZINC001280300283 1048169518 /nfs/dbraw/zinc/16/95/18/1048169518.db2.gz VLGPXBCEGXVJNF-RTBURBONSA-N 1 0 383.602 3.623 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001463307796 1070977771 /nfs/dbraw/zinc/97/77/71/1070977771.db2.gz LJEFCMUUZQCXHQ-GHTZIAJQSA-N 1 0 384.545 3.747 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001286285459 1048255569 /nfs/dbraw/zinc/25/55/69/1048255569.db2.gz NAEHYXHBXRSHLB-QZTJIDSGSA-N 1 0 390.535 3.616 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001286295861 1048260639 /nfs/dbraw/zinc/26/06/39/1048260639.db2.gz KEWHRKFEHSRSRG-RTBURBONSA-N 1 0 397.542 3.730 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286299959 1048263039 /nfs/dbraw/zinc/26/30/39/1048263039.db2.gz KADOWLKSYGMWRJ-ZWKOTPCHSA-N 1 0 399.608 3.899 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[N@@H+](C)C(C)C ZINC001286303371 1048265777 /nfs/dbraw/zinc/26/57/77/1048265777.db2.gz IROBQDOJMLUGBB-GOSISDBHSA-N 1 0 392.551 3.538 20 30 GHEDRO C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286319587 1048270975 /nfs/dbraw/zinc/27/09/75/1048270975.db2.gz NPEZHTBKSIADGU-UHFFFAOYSA-N 1 0 395.551 3.724 20 30 GHEDRO C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286350647 1048283113 /nfs/dbraw/zinc/28/31/13/1048283113.db2.gz IOPAPRWBULCXBR-QZTJIDSGSA-N 1 0 399.970 3.855 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286366205 1048291824 /nfs/dbraw/zinc/29/18/24/1048291824.db2.gz XSDYTNNYUAUXJK-ROUUACIJSA-N 1 0 391.519 3.881 20 30 GHEDRO C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001286496510 1048337375 /nfs/dbraw/zinc/33/73/75/1048337375.db2.gz SLNPNMAPIHRIOU-SFHVURJKSA-N 1 0 391.629 3.715 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001286519647 1048346521 /nfs/dbraw/zinc/34/65/21/1048346521.db2.gz ZCATWEWNXJEHGS-ZFJSRUIDSA-N 1 0 391.563 3.879 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[N@H+]1CC ZINC001286523903 1048349260 /nfs/dbraw/zinc/34/92/60/1048349260.db2.gz FNVVPBZRXQFSNX-XUZZJYLKSA-N 1 0 391.563 3.654 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001286523808 1048349595 /nfs/dbraw/zinc/34/95/95/1048349595.db2.gz ABICFTYZFYVSBE-SIKLNZKXSA-N 1 0 397.592 3.797 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001286525048 1048350162 /nfs/dbraw/zinc/35/01/62/1048350162.db2.gz RGEAXBUKFZZPGE-GBXCKJPGSA-N 1 0 391.563 3.511 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286579291 1048373453 /nfs/dbraw/zinc/37/34/53/1048373453.db2.gz NVZBQYMKASDBHZ-OALUTQOASA-N 1 0 375.561 3.654 20 30 GHEDRO C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001286649254 1048416171 /nfs/dbraw/zinc/41/61/71/1048416171.db2.gz RBHYQAWIRKIYHB-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286655353 1048422881 /nfs/dbraw/zinc/42/28/81/1048422881.db2.gz PALQZAFFWCEGIH-IBGZPJMESA-N 1 0 395.551 3.698 20 30 GHEDRO CCc1nnc(N(CCC#N)CC2CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001306099462 1048424287 /nfs/dbraw/zinc/42/42/87/1048424287.db2.gz XADQXLNCBHWVKL-SFHVURJKSA-N 1 0 398.580 3.869 20 30 GHEDRO C=CC1CCN(c2nnc(C3CC3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286660414 1048426584 /nfs/dbraw/zinc/42/65/84/1048426584.db2.gz JTCTZTCHQRZICC-UHFFFAOYSA-N 1 0 385.478 3.832 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@@H+](C)C(C)C ZINC001286714635 1048471301 /nfs/dbraw/zinc/47/13/01/1048471301.db2.gz RKOXUBJYLZQHPO-INIZCTEOSA-N 1 0 375.492 3.520 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286722899 1048479530 /nfs/dbraw/zinc/47/95/30/1048479530.db2.gz BTDRUJOIPLZKIQ-ROUUACIJSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)[NH+](C)C ZINC001286729438 1048486089 /nfs/dbraw/zinc/48/60/89/1048486089.db2.gz SWDBUIXWXHLOJP-SFHVURJKSA-N 1 0 385.556 3.861 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC[N@H+]1CC ZINC001286756481 1048509316 /nfs/dbraw/zinc/50/93/16/1048509316.db2.gz YWJXJLFSKZFCKB-LJQANCHMSA-N 1 0 381.524 3.616 20 30 GHEDRO CCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001306792213 1048896445 /nfs/dbraw/zinc/89/64/45/1048896445.db2.gz PLLIKLFLWGSCDK-SFHVURJKSA-N 1 0 380.540 3.785 20 30 GHEDRO CCC[N@H+](CC)CCn1c(-c2ccccc2C)nnc1N1CCC(C#N)CC1 ZINC001306806736 1048907269 /nfs/dbraw/zinc/90/72/69/1048907269.db2.gz YGRKYNMADPGMET-UHFFFAOYSA-N 1 0 380.540 3.725 20 30 GHEDRO CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001306810512 1048908795 /nfs/dbraw/zinc/90/87/95/1048908795.db2.gz DBVABPAMZDNCMX-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001287984887 1048961907 /nfs/dbraw/zinc/96/19/07/1048961907.db2.gz RCLLPJJRHTVNKM-GOSISDBHSA-N 1 0 395.555 3.524 20 30 GHEDRO C=CC[C@]1(C(=O)NC2CCC(C)([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001288014371 1048967139 /nfs/dbraw/zinc/96/71/39/1048967139.db2.gz VYXAFSCWPBXRDF-JHJOLFGTSA-N 1 0 393.572 3.711 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)CC1 ZINC001307046305 1049039445 /nfs/dbraw/zinc/03/94/45/1049039445.db2.gz WPTYIUVSPKKVCV-UZLBHIALSA-N 1 0 378.524 3.708 20 30 GHEDRO C[N@@H+]1C[C@@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H](c2ccccc2)C1 ZINC001307147940 1049103755 /nfs/dbraw/zinc/10/37/55/1049103755.db2.gz IDPFCMSMRORIRL-XLIONFOSSA-N 1 0 387.443 3.772 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC1CC1)[N@H+](C)C1CC1 ZINC001288616169 1049162171 /nfs/dbraw/zinc/16/21/71/1049162171.db2.gz ZIQFJHQHAPPJQU-INIZCTEOSA-N 1 0 378.524 3.536 20 30 GHEDRO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC001307421204 1049260277 /nfs/dbraw/zinc/26/02/77/1049260277.db2.gz VSYPUIRLAJTHDO-GOSISDBHSA-N 1 0 383.879 3.866 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@]1(c2ccccc2)CCCCC1=O ZINC001307687887 1049506688 /nfs/dbraw/zinc/50/66/88/1049506688.db2.gz CJHXDKRCSNCCDJ-QHCPKHFHSA-N 1 0 375.472 3.857 20 30 GHEDRO C=C(C)[C@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 ZINC001307696847 1049515392 /nfs/dbraw/zinc/51/53/92/1049515392.db2.gz CCOVCHPRRRNZPE-IBGZPJMESA-N 1 0 386.398 3.790 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC001307698076 1049517165 /nfs/dbraw/zinc/51/71/65/1049517165.db2.gz LVYSJEWBEHDZFZ-KAOXLYBCSA-N 1 0 376.500 3.956 20 30 GHEDRO C[C@@H]1CN(c2cccc(C[N@H+](C)CCCCC3(C#N)CCC3)c2)S(=O)(=O)C1 ZINC001307727382 1049541465 /nfs/dbraw/zinc/54/14/65/1049541465.db2.gz HITQWKQMWKJBNP-GOSISDBHSA-N 1 0 389.565 3.768 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001289909148 1049677213 /nfs/dbraw/zinc/67/72/13/1049677213.db2.gz MDIGKNZRUKWVKD-MJGOQNOKSA-N 1 0 395.555 3.507 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001308109977 1049854978 /nfs/dbraw/zinc/85/49/78/1049854978.db2.gz DTYLZKXEVGGDDN-GCJKJVERSA-N 1 0 385.508 3.858 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001308109979 1049855117 /nfs/dbraw/zinc/85/51/17/1049855117.db2.gz DTYLZKXEVGGDDN-XMSQKQJNSA-N 1 0 385.508 3.858 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCSC[C@H]3C)sc2C1 ZINC001308140661 1049880351 /nfs/dbraw/zinc/88/03/51/1049880351.db2.gz ICIDMFWMWUNCDP-UONOGXRCSA-N 1 0 377.579 3.901 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Br)nc2)ccc1OC ZINC001308265596 1049931534 /nfs/dbraw/zinc/93/15/34/1049931534.db2.gz HRPZISBJJLPYSL-OAHLLOKOSA-N 1 0 390.281 3.823 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)/C=C/c2ccc(F)cc2)C1 ZINC001290890830 1049944721 /nfs/dbraw/zinc/94/47/21/1049944721.db2.gz HEHLDLHYALHRBC-HGZMWJMZSA-N 1 0 394.490 3.956 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001308370185 1049960597 /nfs/dbraw/zinc/96/05/97/1049960597.db2.gz YTOINRNPXNFHBG-IBGZPJMESA-N 1 0 388.305 3.544 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(C)c(I)cc1C ZINC001308387408 1049964391 /nfs/dbraw/zinc/96/43/91/1049964391.db2.gz NLSKTAZYGQKODQ-WMLDXEAASA-N 1 0 385.289 3.979 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC001308405015 1049968349 /nfs/dbraw/zinc/96/83/49/1049968349.db2.gz KZHYSXYMOFUIRC-IUODEOHRSA-N 1 0 384.261 3.564 20 30 GHEDRO C#Cc1ccc(C[NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001308409931 1049969681 /nfs/dbraw/zinc/96/96/81/1049969681.db2.gz INSZEBFWZVQPAP-UHFFFAOYSA-N 1 0 395.503 3.608 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001308518490 1049997027 /nfs/dbraw/zinc/99/70/27/1049997027.db2.gz DZKQFPOJACINDW-UKRRQHHQSA-N 1 0 392.215 3.661 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2c(F)cc(O)cc2F)c(-c2ccccc2)n1 ZINC001308533396 1050001075 /nfs/dbraw/zinc/00/10/75/1050001075.db2.gz VRQNMRKMGKFOBX-UHFFFAOYSA-N 1 0 382.414 3.780 20 30 GHEDRO C#CCCCCCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001308934719 1050194269 /nfs/dbraw/zinc/19/42/69/1050194269.db2.gz FLUIWKYNIRHORG-LJQANCHMSA-N 1 0 378.557 3.966 20 30 GHEDRO Cc1cc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)ccc1C#N ZINC001309088278 1050339641 /nfs/dbraw/zinc/33/96/41/1050339641.db2.gz QHONZRAHMOYPQJ-JOCHJYFZSA-N 1 0 397.544 3.618 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(OCC#N)c3)C[C@H]2C1 ZINC001329498042 1050820413 /nfs/dbraw/zinc/82/04/13/1050820413.db2.gz CQNFKZMRSGZGFQ-FHWLQOOXSA-N 1 0 385.508 3.714 20 30 GHEDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(OCC#N)cc1 ZINC001329783956 1050904565 /nfs/dbraw/zinc/90/45/65/1050904565.db2.gz ISZYGSKSLCBNTB-FYYLOGMGSA-N 1 0 391.515 3.753 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)Nc3ccc(F)cc3C#N)CCCCC2)CCO1 ZINC001310385351 1051322736 /nfs/dbraw/zinc/32/27/36/1051322736.db2.gz MFDCVHZKIDOBQF-UHFFFAOYSA-N 1 0 388.487 3.633 20 30 GHEDRO N#Cc1cc(C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cs1 ZINC001332329908 1051502066 /nfs/dbraw/zinc/50/20/66/1051502066.db2.gz KTYINYNMZICRSC-IBGZPJMESA-N 1 0 395.528 3.563 20 30 GHEDRO Cc1nsc(NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC001310695738 1051536583 /nfs/dbraw/zinc/53/65/83/1051536583.db2.gz BBLNFTQILJOYPG-SQNIBIBYSA-N 1 0 395.532 3.745 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)cc21 ZINC001311252583 1051969235 /nfs/dbraw/zinc/96/92/35/1051969235.db2.gz QUEKTCCRPLCPKQ-UHFFFAOYSA-N 1 0 383.521 3.880 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001334879066 1051997303 /nfs/dbraw/zinc/99/73/03/1051997303.db2.gz KYOLEXICLDROSO-ACRUOGEOSA-N 1 0 390.535 3.559 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC001311516644 1052214466 /nfs/dbraw/zinc/21/44/66/1052214466.db2.gz UGVKWSVATZLEJR-UHFFFAOYSA-N 1 0 381.442 3.573 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336273563 1052251173 /nfs/dbraw/zinc/25/11/73/1052251173.db2.gz OVFYEBZSBSPKNO-REWPJTCUSA-N 1 0 395.478 3.779 20 30 GHEDRO C#CC[C@@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)c1ccccc1 ZINC001311934088 1052485808 /nfs/dbraw/zinc/48/58/08/1052485808.db2.gz YBZYRPZPFWBVLK-OAQYLSRUSA-N 1 0 397.563 3.864 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC001313124577 1052963895 /nfs/dbraw/zinc/96/38/95/1052963895.db2.gz RRTUZLRSDXANFJ-PBHICJAKSA-N 1 0 386.323 3.583 20 30 GHEDRO C=C(C)Cn1c([C@H](C)[C@H](O)CC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342308797 1053095084 /nfs/dbraw/zinc/09/50/84/1053095084.db2.gz BCZNMTXTUMJVGU-RTBURBONSA-N 1 0 389.588 3.573 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001342355665 1053125936 /nfs/dbraw/zinc/12/59/36/1053125936.db2.gz QYBBBYMESDVFKN-FUHWJXTLSA-N 1 0 386.569 3.770 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(Cc1ccco1)C(C)C ZINC001342454417 1053178325 /nfs/dbraw/zinc/17/83/25/1053178325.db2.gz KFSAUWGRWZJZHU-HXUWFJFHSA-N 1 0 399.539 3.788 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)c1cccc(C)c1 ZINC001342455240 1053179321 /nfs/dbraw/zinc/17/93/21/1053179321.db2.gz OSMNHODNNJVWMX-FQEVSTJZSA-N 1 0 381.524 3.856 20 30 GHEDRO N#CC1(C(=O)OC[C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)CCSCC1 ZINC001342507191 1053206716 /nfs/dbraw/zinc/20/67/16/1053206716.db2.gz SINFOVRRUGWLSF-HNNXBMFYSA-N 1 0 394.487 3.757 20 30 GHEDRO C=CCO[C@@H]1CCN(Cc2cc(Br)cc(Br)c2N)C1 ZINC001342658771 1053285877 /nfs/dbraw/zinc/28/58/77/1053285877.db2.gz YQWANYSVKNMCCR-GFCCVEGCSA-N 1 0 390.119 3.571 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1C(C)(C)C ZINC001313913594 1053287611 /nfs/dbraw/zinc/28/76/11/1053287611.db2.gz KTUPXXYCKWFSFR-HXUWFJFHSA-N 1 0 394.567 3.958 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001342791072 1053356774 /nfs/dbraw/zinc/35/67/74/1053356774.db2.gz LKCAIHNNORIWOO-KRWDZBQOSA-N 1 0 381.515 3.754 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001342923502 1053438118 /nfs/dbraw/zinc/43/81/18/1053438118.db2.gz FKZMWKFIGJYONQ-WOJBJXKFSA-N 1 0 390.535 3.582 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001343029519 1053507701 /nfs/dbraw/zinc/50/77/01/1053507701.db2.gz YCAIHLLEONSIQY-UHFFFAOYSA-N 1 0 395.572 3.642 20 30 GHEDRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 ZINC001314658639 1053552510 /nfs/dbraw/zinc/55/25/10/1053552510.db2.gz FWGHMYAKTWALJY-OAQYLSRUSA-N 1 0 386.588 3.871 20 30 GHEDRO CN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCC1 ZINC001314839327 1053643522 /nfs/dbraw/zinc/64/35/22/1053643522.db2.gz CFSUHDFCBRFUHT-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nnc1C(F)(F)CC1CC1 ZINC001343376484 1053734786 /nfs/dbraw/zinc/73/47/86/1053734786.db2.gz VITFQGIVBGQUEU-RCCFBDPRSA-N 1 0 393.526 3.913 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001343628870 1053936784 /nfs/dbraw/zinc/93/67/84/1053936784.db2.gz PQILGODSEADTBD-UHFFFAOYSA-N 1 0 384.528 3.581 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001343652779 1053950635 /nfs/dbraw/zinc/95/06/35/1053950635.db2.gz FDTBVMMVQZRGEK-SJORKVTESA-N 1 0 381.515 3.753 20 30 GHEDRO C=C(C)Cn1c(-c2nc[nH]c2C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001343927769 1054123432 /nfs/dbraw/zinc/12/34/32/1054123432.db2.gz KJZRPLBGSFODQB-UHFFFAOYSA-N 1 0 397.571 3.788 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001344608622 1054595343 /nfs/dbraw/zinc/59/53/43/1054595343.db2.gz XIWIRMGUJPLITQ-UHFFFAOYSA-N 1 0 392.547 3.874 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC001318630352 1054759141 /nfs/dbraw/zinc/75/91/41/1054759141.db2.gz SBLXDGLVIMCVLD-ZDUSSCGKSA-N 1 0 382.298 3.671 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001345875400 1055306163 /nfs/dbraw/zinc/30/61/63/1055306163.db2.gz QGTHJPIAXHNYIW-HBFSDRIKSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC001320037465 1055613151 /nfs/dbraw/zinc/61/31/51/1055613151.db2.gz FLMDPGZQHZLZHH-SMIHKQSGSA-N 1 0 381.516 3.739 20 30 GHEDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCC2 ZINC001320259802 1055728608 /nfs/dbraw/zinc/72/86/08/1055728608.db2.gz LMMJKICKLYNVLH-JOCHJYFZSA-N 1 0 377.536 3.967 20 30 GHEDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCC2 ZINC001320259806 1055728758 /nfs/dbraw/zinc/72/87/58/1055728758.db2.gz LMMJKICKLYNVLH-QFIPXVFZSA-N 1 0 377.536 3.967 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CC#Cc2ccccc2)CC1 ZINC001321174303 1056138539 /nfs/dbraw/zinc/13/85/39/1056138539.db2.gz RAKWDBLCQMNYLX-UHFFFAOYSA-N 1 0 375.516 3.845 20 30 GHEDRO CCCc1c(NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC001321656090 1056353151 /nfs/dbraw/zinc/35/31/51/1056353151.db2.gz UGGDRUJHRVMJQX-AZUAARDMSA-N 1 0 394.523 3.691 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001354255879 1056475631 /nfs/dbraw/zinc/47/56/31/1056475631.db2.gz ICOQABLRMOMYCE-JONQDZQNSA-N 1 0 383.483 3.939 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(F)c2)CC1 ZINC001322062568 1056498865 /nfs/dbraw/zinc/49/88/65/1056498865.db2.gz GFARZOPNOIRTGS-QHCPKHFHSA-N 1 0 378.491 3.939 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)C[NH+](C)C ZINC001300602962 1056611533 /nfs/dbraw/zinc/61/15/33/1056611533.db2.gz VXTRCXWVTSETAA-FQEVSTJZSA-N 1 0 381.568 3.867 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(OCC#N)cc2)[NH+](C)C)cc1 ZINC001322702912 1056809694 /nfs/dbraw/zinc/80/96/94/1056809694.db2.gz OUNJMOHEXIDOQY-OAQYLSRUSA-N 1 0 396.491 3.801 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC001322976573 1056900611 /nfs/dbraw/zinc/90/06/11/1056900611.db2.gz POPLKHMANYSNKR-LRYGQEGESA-N 1 0 379.426 3.533 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)c1ccccc1F ZINC001200803540 1056966863 /nfs/dbraw/zinc/96/68/63/1056966863.db2.gz UHLWYIQTFRVSRI-XZOQPEGZSA-N 1 0 381.495 3.764 20 30 GHEDRO O=S(=O)(Nc1ccccc1)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848404503 1057068818 /nfs/dbraw/zinc/06/88/18/1057068818.db2.gz SEUXLXNYIVXLJB-NRFANRHFSA-N 1 0 398.532 3.904 20 30 GHEDRO CC(C)[C@@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC001324148117 1057079430 /nfs/dbraw/zinc/07/94/30/1057079430.db2.gz RXVWOCYWBAWDSI-NRFANRHFSA-N 1 0 389.565 3.558 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)C1 ZINC001324334132 1057114089 /nfs/dbraw/zinc/11/40/89/1057114089.db2.gz FVLZRFOUCAUZOC-KOENEWCDSA-N 1 0 395.934 3.927 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001325223774 1057293067 /nfs/dbraw/zinc/29/30/67/1057293067.db2.gz RJHBBXWKOWIAAI-GMAHTHKFSA-N 1 0 382.479 3.650 20 30 GHEDRO C=CCn1c(CC(F)F)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001355967782 1057336656 /nfs/dbraw/zinc/33/66/56/1057336656.db2.gz HAMBCEKPKMYOME-FUHWJXTLSA-N 1 0 389.494 3.761 20 30 GHEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC001475217203 1057351494 /nfs/dbraw/zinc/35/14/94/1057351494.db2.gz GGEFVMCFDPTFSJ-UHFFFAOYSA-N 1 0 397.972 3.681 20 30 GHEDRO C=CCn1c(N(C)C2CC[NH+](CCC)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001356007738 1057353909 /nfs/dbraw/zinc/35/39/09/1057353909.db2.gz MZVADWWAILEFDR-JOCHJYFZSA-N 1 0 382.556 3.500 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001356100259 1057388782 /nfs/dbraw/zinc/38/87/82/1057388782.db2.gz KPCGGFJRJUHJTF-RNQOJCNYSA-N 1 0 399.583 3.588 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001326460121 1057487629 /nfs/dbraw/zinc/48/76/29/1057487629.db2.gz ACWLYBXZOHKCBH-SEJPIABJSA-N 1 0 391.515 3.962 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000849081792 1057584329 /nfs/dbraw/zinc/58/43/29/1057584329.db2.gz NDUCHWBUYRUIRG-IAGOWNOFSA-N 1 0 385.512 3.507 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000849081546 1057585069 /nfs/dbraw/zinc/58/50/69/1057585069.db2.gz DBJQIGSMYVYCNX-YXJHDRRASA-N 1 0 385.512 3.895 20 30 GHEDRO Cc1c(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)cnn1CCC#N ZINC001337975536 1058351960 /nfs/dbraw/zinc/35/19/60/1058351960.db2.gz MUNNFPCKKLUIPO-UHFFFAOYSA-N 1 0 383.521 3.545 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001338621414 1058688647 /nfs/dbraw/zinc/68/86/47/1058688647.db2.gz ISZAZFHWRNEXQZ-HKUYNNGSSA-N 1 0 387.597 3.528 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001338870920 1058844362 /nfs/dbraw/zinc/84/43/62/1058844362.db2.gz KONVSSWBUVATOH-KRWDZBQOSA-N 1 0 392.507 3.619 20 30 GHEDRO C=CCn1c(-c2cccc3ccncc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001338893465 1058862896 /nfs/dbraw/zinc/86/28/96/1058862896.db2.gz ZNYVWPVYFBSNKD-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001442078148 1058913014 /nfs/dbraw/zinc/91/30/14/1058913014.db2.gz DCMNBRNNRKUBOR-NPPFBWRTSA-N 1 0 395.588 3.863 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001339220011 1059018660 /nfs/dbraw/zinc/01/86/60/1059018660.db2.gz VZOXBLABIGEVBZ-GOSISDBHSA-N 1 0 397.571 3.504 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001339232260 1059027541 /nfs/dbraw/zinc/02/75/41/1059027541.db2.gz AOZFXEPNUKIZIP-WMZOPIPTSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CC1(CC(=O)N(CC[NH+](C)C)C2CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001443341323 1059107131 /nfs/dbraw/zinc/10/71/31/1059107131.db2.gz RUNKIDDGTYZLFH-UHFFFAOYSA-N 1 0 393.572 3.523 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C)C(C)C ZINC001443432459 1059129984 /nfs/dbraw/zinc/12/99/84/1059129984.db2.gz WXPNSYPTHKCQDX-HTAPYJJXSA-N 1 0 378.557 3.559 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 ZINC001339396020 1059173817 /nfs/dbraw/zinc/17/38/17/1059173817.db2.gz JQSMNRYHBAFVMF-UHFFFAOYSA-N 1 0 383.923 3.965 20 30 GHEDRO CCn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001339422445 1059198271 /nfs/dbraw/zinc/19/82/71/1059198271.db2.gz AZVDYXUXXGLXKV-FCHUYYIVSA-N 1 0 398.514 3.503 20 30 GHEDRO C=CCn1c(COC2CCC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001340153937 1059729823 /nfs/dbraw/zinc/72/98/23/1059729823.db2.gz FAGXIWQTFRVYRE-MOPGFXCFSA-N 1 0 387.572 3.624 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001340345122 1059873674 /nfs/dbraw/zinc/87/36/74/1059873674.db2.gz AFCKIBAOPBWDIF-AABGKKOBSA-N 1 0 384.572 3.962 20 30 GHEDRO C=CCn1c(-c2cccc3ocnc32)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001340510079 1059956190 /nfs/dbraw/zinc/95/61/90/1059956190.db2.gz CQYTUPJWSKBYPP-UHFFFAOYSA-N 1 0 392.507 3.727 20 30 GHEDRO CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001546006677 1060195498 /nfs/dbraw/zinc/19/54/98/1060195498.db2.gz YTIOVZRKZOUJNP-FQEVSTJZSA-N 1 0 384.572 3.625 20 30 GHEDRO CCn1c(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nnc1C(C)(C)C#N ZINC001340917921 1060247391 /nfs/dbraw/zinc/24/73/91/1060247391.db2.gz DDDQTBOIPOHYNR-HSZRJFAPSA-N 1 0 392.551 3.592 20 30 GHEDRO CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001449504319 1060416068 /nfs/dbraw/zinc/41/60/68/1060416068.db2.gz VPAKSLJEBXIRET-ZSYWTGECSA-N 1 0 395.588 3.649 20 30 GHEDRO N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001341821585 1060909166 /nfs/dbraw/zinc/90/91/66/1060909166.db2.gz SQDWLWJOVPOYDY-KRWDZBQOSA-N 1 0 381.863 3.897 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001341823673 1060910581 /nfs/dbraw/zinc/91/05/81/1060910581.db2.gz IKCYHGZGXSFMBI-FCHUYYIVSA-N 1 0 389.503 3.532 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2OC)cc1)C(C)C ZINC001341930100 1060955787 /nfs/dbraw/zinc/95/57/87/1060955787.db2.gz LWDYQZHLBKPLRA-LJQANCHMSA-N 1 0 393.487 3.887 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(F)c(F)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001341964674 1060973555 /nfs/dbraw/zinc/97/35/55/1060973555.db2.gz AFYHTTPMMXMLAV-UHFFFAOYSA-N 1 0 375.467 3.766 20 30 GHEDRO Cc1ccc(C(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC001452689346 1060986036 /nfs/dbraw/zinc/98/60/36/1060986036.db2.gz FGQFHLJMLPMSCN-KDURUIRLSA-N 1 0 391.515 3.748 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CC[NH+]2CCCCC2)s1 ZINC001452690247 1060987151 /nfs/dbraw/zinc/98/71/51/1060987151.db2.gz DKWWYEKLTYLTKB-UHFFFAOYSA-N 1 0 388.002 3.783 20 30 GHEDRO C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342114665 1061065869 /nfs/dbraw/zinc/06/58/69/1061065869.db2.gz NIEBUNFYPNFUQY-JZXOWHBKSA-N 1 0 375.586 3.731 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001342224746 1061152665 /nfs/dbraw/zinc/15/26/65/1061152665.db2.gz JMTPUJPIICKGPW-OALUTQOASA-N 1 0 394.567 3.712 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001342269702 1061191065 /nfs/dbraw/zinc/19/10/65/1061191065.db2.gz FLTBYBZVWGOAJW-HNNXBMFYSA-N 1 0 381.615 3.643 20 30 GHEDRO N#CCCCCc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001345984224 1061262513 /nfs/dbraw/zinc/26/25/13/1061262513.db2.gz JPCMHWOLPSXGOA-SFHVURJKSA-N 1 0 398.580 3.689 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCC[NH+]2CCC(C)CC2)o1 ZINC001361175371 1061686568 /nfs/dbraw/zinc/68/65/68/1061686568.db2.gz LEUFYRVFRORZJS-GOSISDBHSA-N 1 0 398.555 3.955 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+]2CCC[C@H](C)C2)o1 ZINC001361212018 1061725668 /nfs/dbraw/zinc/72/56/68/1061725668.db2.gz FTAPXNRBHITGBS-JTSKRJEESA-N 1 0 396.539 3.709 20 30 GHEDRO Cc1ccc(OCCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1C ZINC001435082068 1062280891 /nfs/dbraw/zinc/28/08/91/1062280891.db2.gz WMBUUGMMRGMPOW-UHFFFAOYSA-N 1 0 393.531 3.925 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001435082040 1062281246 /nfs/dbraw/zinc/28/12/46/1062281246.db2.gz VTRLAYYLYIPIGS-YADHBBJMSA-N 1 0 375.516 3.888 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001435567188 1062740955 /nfs/dbraw/zinc/74/09/55/1062740955.db2.gz SUHQXOBMDRCWEE-PMACEKPBSA-N 1 0 375.516 3.839 20 30 GHEDRO N#C[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C3CCCC3)n2CC2CC2)C1 ZINC001347925515 1062785155 /nfs/dbraw/zinc/78/51/55/1062785155.db2.gz RBKMCOGOXYADIG-ICSRJNTNSA-N 1 0 382.556 3.898 20 30 GHEDRO C#Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001436384559 1063421121 /nfs/dbraw/zinc/42/11/21/1063421121.db2.gz CPNLWMPGTDVULP-LOSJGSFVSA-N 1 0 395.506 3.595 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@@H]3C[C@H]3C#N)n2CC2CC2)CC1 ZINC001348948702 1063435749 /nfs/dbraw/zinc/43/57/49/1063435749.db2.gz QDRYVLKUHPGFNC-RBUKOAKNSA-N 1 0 382.556 3.550 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC001349510504 1063760649 /nfs/dbraw/zinc/76/06/49/1063760649.db2.gz PUIHHQOESALZPS-SFHVURJKSA-N 1 0 375.538 3.683 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](CC#N)c3ccccc3)c(C)c2)CC1 ZINC001350123582 1063996667 /nfs/dbraw/zinc/99/66/67/1063996667.db2.gz MTENHWPPRFXKSO-NRFANRHFSA-N 1 0 376.504 3.773 20 30 GHEDRO N#Cc1cc2c(n(C/C=C/c3ccccc3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC001459179171 1064015449 /nfs/dbraw/zinc/01/54/49/1064015449.db2.gz JRMVHHIOJTXKLU-KPKJPENVSA-N 1 0 381.479 3.992 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)cc2=O ZINC001459373082 1064078911 /nfs/dbraw/zinc/07/89/11/1064078911.db2.gz GSVMGWXNZQZDKF-UHFFFAOYSA-N 1 0 387.418 3.648 20 30 GHEDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001459771593 1064209518 /nfs/dbraw/zinc/20/95/18/1064209518.db2.gz YOECRSNHQNFBKJ-KGLIPLIRSA-N 1 0 377.579 3.901 20 30 GHEDRO Cc1cc(Br)cc2cc([C@H](C(C)C)[N@H+](C)CC(=O)NCC#N)oc21 ZINC001459839681 1064238382 /nfs/dbraw/zinc/23/83/82/1064238382.db2.gz WNVSZDQPELGAHI-KRWDZBQOSA-N 1 0 392.297 3.772 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](CC)c2ccc(Cl)s2)c1 ZINC001459923051 1064275430 /nfs/dbraw/zinc/27/54/30/1064275430.db2.gz GSLNQFRXNDOLQB-AWEZNQCLSA-N 1 0 375.881 3.772 20 30 GHEDRO C=C(C)[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)c1ccc(F)c(F)c1 ZINC001459978882 1064315643 /nfs/dbraw/zinc/31/56/43/1064315643.db2.gz GHCQWUYGMWYZPS-LVCYWYKZSA-N 1 0 396.478 3.932 20 30 GHEDRO N#CCc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001463721934 1064569883 /nfs/dbraw/zinc/56/98/83/1064569883.db2.gz DKVQEUPMSPKBGT-UHFFFAOYSA-N 1 0 382.895 3.557 20 30 GHEDRO C=C(CC(C)C)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463837913 1064661708 /nfs/dbraw/zinc/66/17/08/1064661708.db2.gz ADZKGDNEERPNQE-UHFFFAOYSA-N 1 0 397.485 3.936 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000847142119 1064764970 /nfs/dbraw/zinc/76/49/70/1064764970.db2.gz NASMVSDUGULJKQ-LJQANCHMSA-N 1 0 396.535 3.768 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)Cc2c(C)cc(C#N)cc2C)[NH+]2CCCC2)cc1 ZINC001464597790 1065103002 /nfs/dbraw/zinc/10/30/02/1065103002.db2.gz REIFUYYUQYPRDN-HSZRJFAPSA-N 1 0 375.516 3.979 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1c2ccccc2C(=O)OC1(C)C)C(C)C ZINC001464872292 1065254236 /nfs/dbraw/zinc/25/42/36/1065254236.db2.gz SGEUMXJOJDAGII-UXHICEINSA-N 1 0 384.520 3.534 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001465221318 1065471787 /nfs/dbraw/zinc/47/17/87/1065471787.db2.gz XDFSUWUWYAINBD-KRWDZBQOSA-N 1 0 379.464 3.599 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[NH+](CC)CC ZINC001300274468 1065904858 /nfs/dbraw/zinc/90/48/58/1065904858.db2.gz KVTBIKIRLRMGMC-FQEVSTJZSA-N 1 0 393.579 3.938 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300293771 1065942681 /nfs/dbraw/zinc/94/26/81/1065942681.db2.gz RXTPKHNIMSNPJV-QUCCMNQESA-N 1 0 389.503 3.833 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300294181 1065943849 /nfs/dbraw/zinc/94/38/49/1065943849.db2.gz XSCHCOKVOAPFHO-UYAOXDASSA-N 1 0 379.552 3.833 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001300295466 1065945998 /nfs/dbraw/zinc/94/59/98/1065945998.db2.gz IHMDCDMIFWCOFJ-NQIIRXRSSA-N 1 0 388.519 3.568 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300296052 1065946471 /nfs/dbraw/zinc/94/64/71/1065946471.db2.gz QIBCHMJXAFSVCI-UYAOXDASSA-N 1 0 392.551 3.595 20 30 GHEDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc(C)c1C#N ZINC001466014858 1065955615 /nfs/dbraw/zinc/95/56/15/1065955615.db2.gz FQHZBELBJGUBFQ-UHFFFAOYSA-N 1 0 377.488 3.632 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300316714 1065979234 /nfs/dbraw/zinc/97/92/34/1065979234.db2.gz BZOHRAUTMHMKMD-LEWJYISDSA-N 1 0 393.579 3.643 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001300317773 1065980429 /nfs/dbraw/zinc/98/04/29/1065980429.db2.gz UYYKUCHPSIQUMN-UWJYYQICSA-N 1 0 397.542 3.911 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CC[N@@H+](CC)C(C)C ZINC001300321824 1065986808 /nfs/dbraw/zinc/98/68/08/1065986808.db2.gz OFTXLHPYUBMJIN-HXUWFJFHSA-N 1 0 397.567 3.662 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[NH+]1CCCCC1 ZINC001300324470 1065989482 /nfs/dbraw/zinc/98/94/82/1065989482.db2.gz GFGQEPIRAZUVEX-LJQANCHMSA-N 1 0 397.592 3.823 20 30 GHEDRO C[C@H](Oc1ccccc1F)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745312 1066013175 /nfs/dbraw/zinc/01/31/75/1066013175.db2.gz GBONXXYIYCPWSJ-SFHVURJKSA-N 1 0 396.462 3.942 20 30 GHEDRO N#CC1(COC(=O)COc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847745701 1066020880 /nfs/dbraw/zinc/02/08/80/1066020880.db2.gz MUANQZHHFNTQIC-UHFFFAOYSA-N 1 0 382.435 3.554 20 30 GHEDRO N#CC1(COC(=O)c2coc3c2C(=O)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847747176 1066025591 /nfs/dbraw/zinc/02/55/91/1066025591.db2.gz YFAIHZNZJLCONR-UHFFFAOYSA-N 1 0 392.455 3.761 20 30 GHEDRO N#CCc1ccccc1CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747794 1066034953 /nfs/dbraw/zinc/03/49/53/1066034953.db2.gz QMXYDOPAVHUYMF-UHFFFAOYSA-N 1 0 387.483 3.644 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001466207187 1066035067 /nfs/dbraw/zinc/03/50/67/1066035067.db2.gz CJAVLDUPDOQMNK-RTBURBONSA-N 1 0 391.515 3.977 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300340186 1066040001 /nfs/dbraw/zinc/04/00/01/1066040001.db2.gz VZZGQAIDHWHSGR-NRFANRHFSA-N 1 0 379.552 3.916 20 30 GHEDRO COCC[NH+]1CCC(OC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000847884137 1066333590 /nfs/dbraw/zinc/33/35/90/1066333590.db2.gz BTZGDXNUAISMSJ-UHFFFAOYSA-N 1 0 380.444 3.618 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3cccc(C#N)n3)cc2)C1 ZINC001466941127 1066404271 /nfs/dbraw/zinc/40/42/71/1066404271.db2.gz PMPROBJKSPBSRW-IAGOWNOFSA-N 1 0 377.492 3.753 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(F)cc1F ZINC001467189257 1067136931 /nfs/dbraw/zinc/13/69/31/1067136931.db2.gz WJHRODFJWHVEHU-OAHLLOKOSA-N 1 0 376.451 3.956 20 30 GHEDRO Cc1c(C#N)cccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(C)C ZINC001357962478 1067347797 /nfs/dbraw/zinc/34/77/97/1067347797.db2.gz QZFGQIHETAAEEL-UHFFFAOYSA-N 1 0 394.567 3.672 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001467566454 1067362941 /nfs/dbraw/zinc/36/29/41/1067362941.db2.gz XGZJHJBBOJCSDE-QGZVFWFLSA-N 1 0 390.325 3.848 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001467566452 1067363296 /nfs/dbraw/zinc/36/32/96/1067363296.db2.gz XGZJHJBBOJCSDE-KRWDZBQOSA-N 1 0 390.325 3.848 20 30 GHEDRO C=C1CCC(CNC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC001477668022 1078516729 /nfs/dbraw/zinc/51/67/29/1078516729.db2.gz VRJWUKSCCOPQLR-UHFFFAOYSA-N 1 0 385.552 3.953 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001467728286 1067439857 /nfs/dbraw/zinc/43/98/57/1067439857.db2.gz DBHHTSCJWPHUFK-UHFFFAOYSA-N 1 0 392.297 3.684 20 30 GHEDRO C=CCN(C)CC[N@@H+](CC)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001473431551 1067559390 /nfs/dbraw/zinc/55/93/90/1067559390.db2.gz HLDAAQKCWASIJW-UHFFFAOYSA-N 1 0 387.568 3.920 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001358881511 1067593848 /nfs/dbraw/zinc/59/38/48/1067593848.db2.gz HTMFVMQXWKHVJF-WOJBJXKFSA-N 1 0 379.552 3.771 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001358893904 1067600808 /nfs/dbraw/zinc/60/08/08/1067600808.db2.gz DUWMOVYCXBTOFU-GOSISDBHSA-N 1 0 391.563 3.525 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001358894522 1067601334 /nfs/dbraw/zinc/60/13/34/1067601334.db2.gz QLARMWVWDBIFJW-IBGZPJMESA-N 1 0 391.563 3.601 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CCC[NH+]1CCC(C)CC1 ZINC001358895677 1067602312 /nfs/dbraw/zinc/60/23/12/1067602312.db2.gz OHKWWVYWCDXWQF-OAQYLSRUSA-N 1 0 393.579 3.643 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CCC[NH+]1CCC(C)CC1 ZINC001358895676 1067602574 /nfs/dbraw/zinc/60/25/74/1067602574.db2.gz OHKWWVYWCDXWQF-NRFANRHFSA-N 1 0 393.579 3.643 20 30 GHEDRO C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001358934401 1067619123 /nfs/dbraw/zinc/61/91/23/1067619123.db2.gz ZXNRRXRGTQORAH-UHFFFAOYSA-N 1 0 395.551 3.546 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+](C)CCCC ZINC001358942699 1067623399 /nfs/dbraw/zinc/62/33/99/1067623399.db2.gz GAXHZDQOGODIMQ-UHFFFAOYSA-N 1 0 377.895 3.539 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001358951404 1067627396 /nfs/dbraw/zinc/62/73/96/1067627396.db2.gz VLSVNKLVBFVDRC-SFHVURJKSA-N 1 0 397.548 3.676 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001358993808 1067639614 /nfs/dbraw/zinc/63/96/14/1067639614.db2.gz XNUCPKZZLPRASN-NRFANRHFSA-N 1 0 395.595 3.911 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001359003916 1067645553 /nfs/dbraw/zinc/64/55/53/1067645553.db2.gz BESCWWKVNRKFLU-HXUWFJFHSA-N 1 0 391.519 3.917 20 30 GHEDRO C#CCN(CC)c1nnc(CC(C)(C)C)n1CC[N@H+](CC)CCC(F)(F)F ZINC001359009930 1067651330 /nfs/dbraw/zinc/65/13/30/1067651330.db2.gz BXKOIXXTDHKFEP-UHFFFAOYSA-N 1 0 387.494 3.601 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359074736 1067673764 /nfs/dbraw/zinc/67/37/64/1067673764.db2.gz PHUQFHSCKJKFGT-NFBKMPQASA-N 1 0 399.583 3.776 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359113611 1067691997 /nfs/dbraw/zinc/69/19/97/1067691997.db2.gz MJPKJWWWSZPFCQ-UXHICEINSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COCC)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359116606 1067695102 /nfs/dbraw/zinc/69/51/02/1067695102.db2.gz RIAWFDIVRUOHTD-WIYYLYMNSA-N 1 0 377.577 3.728 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001359163555 1067718994 /nfs/dbraw/zinc/71/89/94/1067718994.db2.gz JOIXBXDTMXTCOP-LJQANCHMSA-N 1 0 394.567 3.927 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001359163470 1067719164 /nfs/dbraw/zinc/71/91/64/1067719164.db2.gz GFENGYQLLZGGBJ-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001359166765 1067720982 /nfs/dbraw/zinc/72/09/82/1067720982.db2.gz GORFBJRWWFQCJQ-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CCCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359219274 1067796784 /nfs/dbraw/zinc/79/67/84/1067796784.db2.gz LTGUGZNRMDIKQE-WOJBJXKFSA-N 1 0 397.567 3.785 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359241793 1067851583 /nfs/dbraw/zinc/85/15/83/1067851583.db2.gz DEGBHCBDACQCOK-FQEVSTJZSA-N 1 0 381.568 3.920 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359241969 1067852255 /nfs/dbraw/zinc/85/22/55/1067852255.db2.gz KBOFXJHARFFMNI-FQEVSTJZSA-N 1 0 397.567 3.764 20 30 GHEDRO C#CCN(C(=O)NCc1ccccc1Oc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001468736319 1067852986 /nfs/dbraw/zinc/85/29/86/1067852986.db2.gz ARHODBLCPHCUHY-UHFFFAOYSA-N 1 0 395.478 3.857 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(OC)c2)n1CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC001359247600 1067883285 /nfs/dbraw/zinc/88/32/85/1067883285.db2.gz INFDCIDLAAWDSW-QGZVFWFLSA-N 1 0 381.524 3.593 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001359248865 1067893568 /nfs/dbraw/zinc/89/35/68/1067893568.db2.gz FTKZWKILDAFXEE-QZTJIDSGSA-N 1 0 380.540 3.615 20 30 GHEDRO C#Cc1cccc(N(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C(C)C)c1 ZINC000849543922 1067903082 /nfs/dbraw/zinc/90/30/82/1067903082.db2.gz GWBRCVFURCMTMX-PKTZIBPZSA-N 1 0 392.547 3.657 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001468874899 1067915124 /nfs/dbraw/zinc/91/51/24/1067915124.db2.gz DNQSVFPPDWYFBI-QUCCMNQESA-N 1 0 377.573 3.844 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC[NH+]1CCCC1 ZINC001359256554 1067916401 /nfs/dbraw/zinc/91/64/01/1067916401.db2.gz JNYQDKKXBCFBPJ-UHFFFAOYSA-N 1 0 390.535 3.706 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001359275548 1067944468 /nfs/dbraw/zinc/94/44/68/1067944468.db2.gz XHVFLVDMYWWUHP-HXUWFJFHSA-N 1 0 379.552 3.732 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359276308 1067945489 /nfs/dbraw/zinc/94/54/89/1067945489.db2.gz YJJJIRDPBQCZFR-GCJKJVERSA-N 1 0 385.556 3.925 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCc1cccc(C#N)c1 ZINC001469089551 1067975207 /nfs/dbraw/zinc/97/52/07/1067975207.db2.gz FMEAJHRHPQVVFZ-CVDCTZTESA-N 1 0 390.531 3.653 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359827326 1068209902 /nfs/dbraw/zinc/20/99/02/1068209902.db2.gz XPNKIGFAGXYPJB-KNQAVFIVSA-N 1 0 386.588 3.727 20 30 GHEDRO Cc1nsc(N2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1C#N ZINC001460178966 1068838653 /nfs/dbraw/zinc/83/86/53/1068838653.db2.gz WBKXMNXQQZIFSY-UHFFFAOYSA-N 1 0 395.576 3.631 20 30 GHEDRO C[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460341615 1068933051 /nfs/dbraw/zinc/93/30/51/1068933051.db2.gz WGBPQYBLUMQSSU-FXAWDEMLSA-N 1 0 387.524 3.952 20 30 GHEDRO C=CCCOCCNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001478350226 1078826595 /nfs/dbraw/zinc/82/65/95/1078826595.db2.gz QMUAYFSRKXSYQV-JOCHJYFZSA-N 1 0 399.579 3.911 20 30 GHEDRO CN(c1ccccc1)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001460528347 1068989041 /nfs/dbraw/zinc/98/90/41/1068989041.db2.gz YHKJTNPDXHBMEQ-IBGZPJMESA-N 1 0 382.895 3.751 20 30 GHEDRO C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)C(C)C ZINC001460823227 1069202903 /nfs/dbraw/zinc/20/29/03/1069202903.db2.gz AWVVFDFJDKRDKZ-UHFFFAOYSA-N 1 0 383.879 3.874 20 30 GHEDRO CC[N@H+](CCCC1(C#N)CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460946526 1069291371 /nfs/dbraw/zinc/29/13/71/1069291371.db2.gz KSAKGZMUNFWKCH-UHFFFAOYSA-N 1 0 379.545 3.808 20 30 GHEDRO C[C@@H]1CCC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC001478549053 1078913792 /nfs/dbraw/zinc/91/37/92/1078913792.db2.gz LOVADYQBNOSALG-WOIUINJBSA-N 1 0 382.552 3.848 20 30 GHEDRO C=CCC[C@H](C(=O)N1CC[NH2+][C@@H](Cc2cccc(OC)c2)C1)c1ccccc1 ZINC001470732343 1072711048 /nfs/dbraw/zinc/71/10/48/1072711048.db2.gz SFCAIZKVYDHSKD-GMAHTHKFSA-N 1 0 378.516 3.788 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001478734622 1078970116 /nfs/dbraw/zinc/97/01/16/1078970116.db2.gz CTBPHAZDHMVHEU-SFHVURJKSA-N 1 0 395.469 3.938 20 30 GHEDRO C=C[C@@H](C)NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001471037258 1072896989 /nfs/dbraw/zinc/89/69/89/1072896989.db2.gz LWUGFHISOFMKJL-VOQZNFBZSA-N 1 0 379.504 3.537 20 30 GHEDRO C=CCCSCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001478935788 1079031372 /nfs/dbraw/zinc/03/13/72/1079031372.db2.gz BFEHXMOMQYZHGL-FQEVSTJZSA-N 1 0 387.593 3.897 20 30 GHEDRO CCn1c2ccccc2c2cc(CN(C)C(=O)NCC#CC[NH+](C)C)ccc21 ZINC001471629020 1073163540 /nfs/dbraw/zinc/16/35/40/1073163540.db2.gz GVHVFXVGHZPUAX-UHFFFAOYSA-N 1 0 376.504 3.521 20 30 GHEDRO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC001472583863 1073561532 /nfs/dbraw/zinc/56/15/32/1073561532.db2.gz GLCAGNGZOZVLRT-UHFFFAOYSA-N 1 0 381.479 3.834 20 30 GHEDRO Cc1cc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C#N)cc1[N+](=O)[O-] ZINC001472655325 1073598833 /nfs/dbraw/zinc/59/88/33/1073598833.db2.gz IJJZSDMYUJFBDM-IAGOWNOFSA-N 1 0 394.475 3.996 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cc(F)c(C#N)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001472655392 1073599682 /nfs/dbraw/zinc/59/96/82/1073599682.db2.gz KXDILPFTEMFLNY-GASCZTMLSA-N 1 0 398.438 3.827 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCNc2ccc(C#N)c(Br)c2)cc1 ZINC001472689593 1073621241 /nfs/dbraw/zinc/62/12/41/1073621241.db2.gz QXMDEFWHUJXXIZ-UHFFFAOYSA-N 1 0 388.309 3.916 20 30 GHEDRO CC(C)[C@H]1CN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001472831229 1073685542 /nfs/dbraw/zinc/68/55/42/1073685542.db2.gz JIIWHTYJMKEIQS-OAQYLSRUSA-N 1 0 382.439 3.952 20 30 GHEDRO C[NH+]1CCC(CNc2ncc(C#N)cc2Br)(c2ccccc2)CC1 ZINC001472844174 1073690044 /nfs/dbraw/zinc/69/00/44/1073690044.db2.gz HCVZFPLTWQQAMF-UHFFFAOYSA-N 1 0 385.309 3.791 20 30 GHEDRO N#Cc1cc2c(n(CCSC(F)(F)F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001473062463 1073766874 /nfs/dbraw/zinc/76/68/74/1073766874.db2.gz MZIIMOSPIRZMIT-UHFFFAOYSA-N 1 0 393.434 3.531 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001473134980 1073798922 /nfs/dbraw/zinc/79/89/22/1073798922.db2.gz LPEINBRITGMNEH-CMKODMSKSA-N 1 0 399.535 3.804 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)c2C)c1 ZINC001473179979 1073836047 /nfs/dbraw/zinc/83/60/47/1073836047.db2.gz MNYXKFMNOPNIML-OAQYLSRUSA-N 1 0 375.472 3.770 20 30 GHEDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)o1 ZINC001473194397 1073846067 /nfs/dbraw/zinc/84/60/67/1073846067.db2.gz CRMOCUIHVOTPOD-UZLBHIALSA-N 1 0 376.456 3.661 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)c1 ZINC001473276028 1073902962 /nfs/dbraw/zinc/90/29/62/1073902962.db2.gz TYUSPGXDJWMIAA-JOCHJYFZSA-N 1 0 389.499 3.803 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001473451429 1073969943 /nfs/dbraw/zinc/96/99/43/1073969943.db2.gz KKJCLQDTFVODBB-HLIPFELVSA-N 1 0 387.524 3.951 20 30 GHEDRO CC1(C)CC[C@@H]([NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@H](c2ccccc2)C1 ZINC001473743956 1074119579 /nfs/dbraw/zinc/11/95/79/1074119579.db2.gz YFAVUHWWVKSEDF-RBUKOAKNSA-N 1 0 375.476 3.759 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCOC23CCCCC3)ccc1Cl ZINC001473856545 1074178357 /nfs/dbraw/zinc/17/83/57/1074178357.db2.gz LIVVINUFQKJKRE-IBGZPJMESA-N 1 0 389.927 3.977 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C)cc2N2CCOCC2)cc1OC ZINC001474055033 1074250035 /nfs/dbraw/zinc/25/00/35/1074250035.db2.gz YHDSQTBXZGTGPH-UHFFFAOYSA-N 1 0 382.504 3.695 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001479619853 1079240240 /nfs/dbraw/zinc/24/02/40/1079240240.db2.gz BTXLBOFANYODAD-UHFFFAOYSA-N 1 0 380.319 3.747 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)ccc1Br ZINC001474185874 1074287105 /nfs/dbraw/zinc/28/71/05/1074287105.db2.gz FTMCIHMNHLAXOT-HZMBPMFUSA-N 1 0 375.104 3.892 20 30 GHEDRO Cc1ccccc1CN1CCO[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001474240668 1074305895 /nfs/dbraw/zinc/30/58/95/1074305895.db2.gz MGDVWFVPODWVGT-QHCPKHFHSA-N 1 0 375.516 3.541 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc1OC ZINC001474273615 1074320343 /nfs/dbraw/zinc/32/03/43/1074320343.db2.gz VCAKUMZCFRMHDT-IIMJZQEZSA-N 1 0 381.900 3.730 20 30 GHEDRO Cc1cc(C)cc(CC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC001474374346 1074371505 /nfs/dbraw/zinc/37/15/05/1074371505.db2.gz OTWULYCJKCRVEK-UHFFFAOYSA-N 1 0 376.460 3.788 20 30 GHEDRO COc1cc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)ccc1C#N ZINC001474556397 1074462022 /nfs/dbraw/zinc/46/20/22/1074462022.db2.gz DIEGKHXQJIWXHD-HXUWFJFHSA-N 1 0 385.508 3.980 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCC(C)CC1 ZINC001493865988 1079304834 /nfs/dbraw/zinc/30/48/34/1079304834.db2.gz MSKKEVPTALLTPV-AVRDEDQJSA-N 1 0 384.572 3.796 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC001475201436 1074782517 /nfs/dbraw/zinc/78/25/17/1074782517.db2.gz VUFUONANVORYCR-KRWDZBQOSA-N 1 0 380.485 3.549 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1ccccc1Oc1ccc(OCC)cc1 ZINC001475902959 1075044859 /nfs/dbraw/zinc/04/48/59/1075044859.db2.gz PEQVDICKWJOFPN-UHFFFAOYSA-N 1 0 381.476 3.954 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC001476200790 1075102914 /nfs/dbraw/zinc/10/29/14/1075102914.db2.gz AXBPQHOBYZBMAG-PMACEKPBSA-N 1 0 391.475 3.884 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 ZINC001500998548 1079622609 /nfs/dbraw/zinc/62/26/09/1079622609.db2.gz OWUNYUSVPNXFRS-UTKZUKDTSA-N 1 0 390.551 3.573 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)c2)c1 ZINC000737730016 598466208 /nfs/dbraw/zinc/46/62/08/598466208.db2.gz DBCISPMINCABGY-UHFFFAOYSA-N 1 0 396.454 3.607 20 30 GHEDRO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)CC1CCCCC1 ZINC000735416493 598755861 /nfs/dbraw/zinc/75/58/61/598755861.db2.gz MAEOATABSRPEHX-UHFFFAOYSA-N 1 0 388.903 3.527 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824058879 608463348 /nfs/dbraw/zinc/46/33/48/608463348.db2.gz GYMLFNFRPYYIEP-UHFFFAOYSA-N 1 0 384.487 3.957 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc(Cl)n1 ZINC001164621373 719045901 /nfs/dbraw/zinc/04/59/01/719045901.db2.gz IZPJOSGEKTXWJE-MJGOQNOKSA-N 1 0 388.849 3.735 20 30 GHEDRO N#Cc1cc(C#N)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164621755 719077205 /nfs/dbraw/zinc/07/72/05/719077205.db2.gz HNDNRPQLGOCZJU-APWZRJJASA-N 1 0 377.879 3.579 20 30 GHEDRO N#Cc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164694740 719887832 /nfs/dbraw/zinc/88/78/32/719887832.db2.gz DSNGROPNQFZCKW-UHFFFAOYSA-N 1 0 388.924 3.540 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1C#N ZINC001164729937 720352318 /nfs/dbraw/zinc/35/23/18/720352318.db2.gz YXNKBPRXMXVRKY-HOTGVXAUSA-N 1 0 388.302 3.817 20 30 GHEDRO Cc1ccc(C#N)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841138 720671914 /nfs/dbraw/zinc/67/19/14/720671914.db2.gz PJCBSVXAINGUTK-NRFANRHFSA-N 1 0 376.504 3.522 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(C#N)nc(C)n4)CC3)CC2)cc1 ZINC001164758733 721046890 /nfs/dbraw/zinc/04/68/90/721046890.db2.gz AZMIHPUZXPISDG-UHFFFAOYSA-N 1 0 375.520 3.848 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3c(cc1C#N)CCC3)CC2 ZINC001164796925 721500132 /nfs/dbraw/zinc/50/01/32/721500132.db2.gz ZKKVHKGDFYANCZ-UHFFFAOYSA-N 1 0 387.531 3.718 20 30 GHEDRO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1CC#N ZINC001164913108 721727088 /nfs/dbraw/zinc/72/70/88/721727088.db2.gz SXXRKVMCAXATCQ-OAQYLSRUSA-N 1 0 397.473 3.589 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001165038836 721899617 /nfs/dbraw/zinc/89/96/17/721899617.db2.gz RTLNNULBWIWPIJ-HNNXBMFYSA-N 1 0 391.853 3.744 20 30 GHEDRO N#Cc1cc2c(nc1N1CCC3(CC[N@H+](Cc4cccnc4)C3)CC1)CCCC2 ZINC001164955478 722021745 /nfs/dbraw/zinc/02/17/45/722021745.db2.gz ISAAUZLSTHLPGI-UHFFFAOYSA-N 1 0 387.531 3.720 20 30 GHEDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)N(C)C)c1 ZINC000580679846 837393031 /nfs/dbraw/zinc/39/30/31/837393031.db2.gz SBABPAKNZPXYQE-LJQANCHMSA-N 1 0 377.410 3.978 20 30 GHEDRO C[N@H+]1CC=C(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000613264049 837484238 /nfs/dbraw/zinc/48/42/38/837484238.db2.gz BAEZUMDTQSIAGN-UHFFFAOYSA-N 1 0 398.322 3.968 20 30 GHEDRO Cc1cccc2c1ncc(C#N)c2N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000610276147 837485614 /nfs/dbraw/zinc/48/56/14/837485614.db2.gz VUZGLHIHWUMTOF-UHFFFAOYSA-N 1 0 399.542 3.669 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC)cc1C(F)(F)F)CC2 ZINC001143476692 837561527 /nfs/dbraw/zinc/56/15/27/837561527.db2.gz SXQWFZQOSVTZSS-UHFFFAOYSA-N 1 0 382.426 3.857 20 30 GHEDRO COc1ccccc1C[C@H]1CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000173264510 837601783 /nfs/dbraw/zinc/60/17/83/837601783.db2.gz FWFPDRYDKHBJFW-GOSISDBHSA-N 1 0 395.528 3.956 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000049794998 837703102 /nfs/dbraw/zinc/70/31/02/837703102.db2.gz CRECKHCONOZDTE-QFIPXVFZSA-N 1 0 378.520 3.653 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCCC3(C#N)CCOCC3)C[C@H]21 ZINC000375611189 837721705 /nfs/dbraw/zinc/72/17/05/837721705.db2.gz ILICYSFKTXEYOZ-IPMKNSEASA-N 1 0 391.556 3.712 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC000176743565 837731409 /nfs/dbraw/zinc/73/14/09/837731409.db2.gz UTCHETGSAHLEKX-QHCPKHFHSA-N 1 0 391.515 3.938 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000557573420 834371619 /nfs/dbraw/zinc/37/16/19/834371619.db2.gz WZWROJLXSROVIA-UHFFFAOYSA-N 1 0 381.476 3.678 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](c4ccncc4)C3)sc2C1 ZINC000577505429 834398720 /nfs/dbraw/zinc/39/87/20/834398720.db2.gz IIRGSPPHXHJESM-DOTOQJQBSA-N 1 0 394.544 3.958 20 30 GHEDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000329145273 834448205 /nfs/dbraw/zinc/44/82/05/834448205.db2.gz NOZUELFWIVXYCB-UHFFFAOYSA-N 1 0 395.503 3.547 20 30 GHEDRO CCc1ccc([C@@H]2CCCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)cc1 ZINC000329282781 834737862 /nfs/dbraw/zinc/73/78/62/834737862.db2.gz NARMAXIMXKAEHI-YMPZKCBVSA-N 1 0 399.579 3.720 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000583626176 834771598 /nfs/dbraw/zinc/77/15/98/834771598.db2.gz HSFHVYLPJZCHBA-ZJZGAYNASA-N 1 0 381.516 3.643 20 30 GHEDRO C=CCNc1ncc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000246007305 834779308 /nfs/dbraw/zinc/77/93/08/834779308.db2.gz QMMWJAAJXCEMRJ-BBRMVZONSA-N 1 0 376.551 3.615 20 30 GHEDRO C[NH+](C)Cc1ccnc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 ZINC000176933993 837807430 /nfs/dbraw/zinc/80/74/30/837807430.db2.gz YNQMVXSDCPIRKX-UHFFFAOYSA-N 1 0 386.455 3.846 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000179221837 835060157 /nfs/dbraw/zinc/06/01/57/835060157.db2.gz POTRLMFNONMJKA-BFUOFWGJSA-N 1 0 387.842 3.838 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000247121307 835120182 /nfs/dbraw/zinc/12/01/82/835120182.db2.gz REHRULUTAXKONH-PMACEKPBSA-N 1 0 397.592 3.949 20 30 GHEDRO C=CCc1cc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc(OC)c1OC ZINC000067209702 844022324 /nfs/dbraw/zinc/02/23/24/844022324.db2.gz JGGBUGDIMXULID-LJQANCHMSA-N 1 0 380.488 3.565 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611966858 835179152 /nfs/dbraw/zinc/17/91/52/835179152.db2.gz AVMDRZUUGNKJKJ-HZPDHXFCSA-N 1 0 390.487 3.975 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000583901836 835230548 /nfs/dbraw/zinc/23/05/48/835230548.db2.gz UXIYNHCOLLLYNJ-IBGZPJMESA-N 1 0 381.455 3.611 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548854078 835328409 /nfs/dbraw/zinc/32/84/09/835328409.db2.gz XEEKGGUYPFUEQP-UHFFFAOYSA-N 1 0 385.531 3.751 20 30 GHEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1F ZINC000278555344 835386813 /nfs/dbraw/zinc/38/68/13/835386813.db2.gz BWSCLJNDRLVZOP-MRXNPFEDSA-N 1 0 379.439 3.555 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433365927 844054335 /nfs/dbraw/zinc/05/43/35/844054335.db2.gz QVZKTVJYNGTTIT-PKTZIBPZSA-N 1 0 375.516 3.739 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NCc2ccccc2C[NH+](C)C)cc1OC ZINC000254980158 835505095 /nfs/dbraw/zinc/50/50/95/835505095.db2.gz SVOISDIFMNHYIY-QBFSEMIESA-N 1 0 380.488 3.651 20 30 GHEDRO N#CCCC[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000458795737 835575096 /nfs/dbraw/zinc/57/50/96/835575096.db2.gz CWVBTTLJKUEHMJ-JOCHJYFZSA-N 1 0 398.551 3.708 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000187948121 835658665 /nfs/dbraw/zinc/65/86/65/835658665.db2.gz CEDGDIXRNHSUCO-QFIPXVFZSA-N 1 0 375.516 3.659 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(O)CCCCC1 ZINC000924883565 844078498 /nfs/dbraw/zinc/07/84/98/844078498.db2.gz RWQFLARZXLDUOY-QGZVFWFLSA-N 1 0 379.545 3.591 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)cc2)nc1 ZINC000329693144 835715087 /nfs/dbraw/zinc/71/50/87/835715087.db2.gz WQZFAWCYLRHTJB-UHFFFAOYSA-N 1 0 390.487 3.836 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584176169 835729421 /nfs/dbraw/zinc/72/94/21/835729421.db2.gz YGZKFLSUJLVOBH-IAGOWNOFSA-N 1 0 378.476 3.713 20 30 GHEDRO N#Cc1cc(C(F)(F)n2c3ccc(F)cc3c3c2CC[NH2+]C3)cnc1Cl ZINC001167086823 835751928 /nfs/dbraw/zinc/75/19/28/835751928.db2.gz CVKVXKQDSBHHMA-UHFFFAOYSA-N 1 0 376.769 3.944 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278683051 835781005 /nfs/dbraw/zinc/78/10/05/835781005.db2.gz PESDQOYWOKSZNI-RTBURBONSA-N 1 0 394.567 3.705 20 30 GHEDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000179594269 835895362 /nfs/dbraw/zinc/89/53/62/835895362.db2.gz CRFQABSKORQYHK-DZIBYMRMSA-N 1 0 395.503 3.881 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nccnc2SCc2ccccc2)CC1 ZINC000635531901 835939521 /nfs/dbraw/zinc/93/95/21/835939521.db2.gz VYAASPHLXILGDC-UHFFFAOYSA-N 1 0 382.533 3.539 20 30 GHEDRO Cc1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc(C)c1CC(C)C ZINC000431638296 835949491 /nfs/dbraw/zinc/94/94/91/835949491.db2.gz GPBSTMMXWKZHGD-UHFFFAOYSA-N 1 0 377.536 3.876 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000246071189 835960335 /nfs/dbraw/zinc/96/03/35/835960335.db2.gz ZZQPWSRPZJDVBK-JTHBVZDNSA-N 1 0 388.515 3.851 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134789246 835978616 /nfs/dbraw/zinc/97/86/16/835978616.db2.gz JDCKCHFDJGYVAG-MSOLQXFVSA-N 1 0 387.480 3.676 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccs1 ZINC000048186315 836035472 /nfs/dbraw/zinc/03/54/72/836035472.db2.gz NCWRJKKISUJMMA-KRWDZBQOSA-N 1 0 395.484 3.824 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000179875328 836207053 /nfs/dbraw/zinc/20/70/53/836207053.db2.gz IDLGYPWMFCENAG-FQEVSTJZSA-N 1 0 388.515 3.853 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1OC ZINC000628257243 836241283 /nfs/dbraw/zinc/24/12/83/836241283.db2.gz FXNAZNQPRODEBO-FOIQADDNSA-N 1 0 381.900 3.683 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3cc(C#N)nc4ccccc43)cc2)C[C@@H](C)O1 ZINC000610246200 836249783 /nfs/dbraw/zinc/24/97/83/836249783.db2.gz ORRDFMITLUGFJF-QZTJIDSGSA-N 1 0 386.499 3.750 20 30 GHEDRO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000513033108 844143342 /nfs/dbraw/zinc/14/33/42/844143342.db2.gz RPUMNKCLNMSUGG-POAQFYNOSA-N 1 0 375.463 3.732 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccccc1Cl ZINC000065930838 836254129 /nfs/dbraw/zinc/25/41/29/836254129.db2.gz WHNNCYNYWYWDIR-UHFFFAOYSA-N 1 0 387.936 3.894 20 30 GHEDRO CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180139460 836314611 /nfs/dbraw/zinc/31/46/11/836314611.db2.gz PKWCQERINILBME-JOCHJYFZSA-N 1 0 399.542 3.913 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000613426208 836355369 /nfs/dbraw/zinc/35/53/69/836355369.db2.gz SZHILOKONRZJQC-WOJBJXKFSA-N 1 0 378.520 3.546 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000613426206 836355836 /nfs/dbraw/zinc/35/58/36/836355836.db2.gz SZHILOKONRZJQC-UXHICEINSA-N 1 0 378.520 3.546 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000174086161 836377824 /nfs/dbraw/zinc/37/78/24/836377824.db2.gz NBCHAFHITIFARH-UHFFFAOYSA-N 1 0 388.256 3.889 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000570173898 836483764 /nfs/dbraw/zinc/48/37/64/836483764.db2.gz OIQPUTJPHYCHTG-MJGOQNOKSA-N 1 0 398.304 3.652 20 30 GHEDRO Cc1nc(-c2ccco2)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000066641236 836556475 /nfs/dbraw/zinc/55/64/75/836556475.db2.gz LCWOMNZCRCVGCE-UHFFFAOYSA-N 1 0 388.471 3.726 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000247033103 836624164 /nfs/dbraw/zinc/62/41/64/836624164.db2.gz ZWUDEXWYYGUCRH-UGKGYDQZSA-N 1 0 375.472 3.907 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)cc1OCCCC#N ZINC000147158602 844188036 /nfs/dbraw/zinc/18/80/36/844188036.db2.gz CORYMUMGZRXXSG-UHFFFAOYSA-N 1 0 393.487 3.794 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ncccc2OCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000188688336 844196543 /nfs/dbraw/zinc/19/65/43/844196543.db2.gz ONXNLORESOXELN-IEBWSBKVSA-N 1 0 393.491 3.549 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000247085163 836766070 /nfs/dbraw/zinc/76/60/70/836766070.db2.gz ZSZWUFJZGJLRHR-KXBFYZLASA-N 1 0 386.496 3.641 20 30 GHEDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658926966 836768216 /nfs/dbraw/zinc/76/82/16/836768216.db2.gz KMLKCRAEKRYEPZ-BXKDBHETSA-N 1 0 386.311 3.928 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000255872189 836803656 /nfs/dbraw/zinc/80/36/56/836803656.db2.gz CARLLAJTBBPQFC-DMLJIOBRSA-N 1 0 387.430 3.741 20 30 GHEDRO C#CC[N@@H+](CCOc1ccc(/C=C\C(=O)OC)cc1)[C@H]1CCc2ccccc21 ZINC001167178970 836816943 /nfs/dbraw/zinc/81/69/43/836816943.db2.gz QMLHATMDESUJBS-MMIRBSHRSA-N 1 0 375.468 3.874 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(SCC#N)c1 ZINC000175531131 836865962 /nfs/dbraw/zinc/86/59/62/836865962.db2.gz CUOCLZKIOYOACU-UHFFFAOYSA-N 1 0 380.517 3.615 20 30 GHEDRO COc1ccc(O[C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180257510 836881114 /nfs/dbraw/zinc/88/11/14/836881114.db2.gz FQHQBJOVUNPTJP-INIZCTEOSA-N 1 0 376.460 3.524 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238976 836920798 /nfs/dbraw/zinc/92/07/98/836920798.db2.gz JFWRJKKMPZMSKR-UTKZUKDTSA-N 1 0 398.528 3.814 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000175770821 836993985 /nfs/dbraw/zinc/99/39/85/836993985.db2.gz SWUJIBAKNUGXOU-UHFFFAOYSA-N 1 0 398.507 3.610 20 30 GHEDRO C[C@@H]1CN([C@@H](CNC(=[NH2+])Nc2ccccc2)c2c(F)cccc2Cl)CCO1 ZINC000066243218 836996098 /nfs/dbraw/zinc/99/60/98/836996098.db2.gz VTGBOPPOBVTOCP-KDOFPFPSSA-N 1 0 390.890 3.668 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000118821994 837008056 /nfs/dbraw/zinc/00/80/56/837008056.db2.gz OXNUVGMONZRGOL-IAGOWNOFSA-N 1 0 390.553 3.655 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc(N(C)C)cc1 ZINC000027325372 837043649 /nfs/dbraw/zinc/04/36/49/837043649.db2.gz UOURXBUETMTAHE-UHFFFAOYSA-O 1 0 384.569 3.985 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)cc1)[n+]1cccc(C)c1 ZINC000027481923 837053018 /nfs/dbraw/zinc/05/30/18/837053018.db2.gz IEOLZEXOLKZUQM-UHFFFAOYSA-O 1 0 377.530 3.703 20 30 GHEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000027487555 837054188 /nfs/dbraw/zinc/05/41/88/837054188.db2.gz ASPGFMNFEZVEAZ-VQIMIIECSA-O 1 0 383.537 3.574 20 30 GHEDRO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000510265823 837198365 /nfs/dbraw/zinc/19/83/65/837198365.db2.gz WRDUIHGRCPMXRI-MRXNPFEDSA-N 1 0 390.959 3.983 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511437206 837306585 /nfs/dbraw/zinc/30/65/85/837306585.db2.gz ILZBCZKLTSUFJK-IBGZPJMESA-N 1 0 399.432 3.936 20 30 GHEDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000180097458 837310215 /nfs/dbraw/zinc/31/02/15/837310215.db2.gz RGWMIKWTINTOGV-FQEVSTJZSA-N 1 0 388.471 3.971 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccco1 ZINC000580367254 837340567 /nfs/dbraw/zinc/34/05/67/837340567.db2.gz WCBKNFRBOYUQHP-KSSFIOAISA-N 1 0 378.432 3.665 20 30 GHEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181183791 837867007 /nfs/dbraw/zinc/86/70/07/837867007.db2.gz BUHVWFAJABEZPL-MRXNPFEDSA-N 1 0 388.313 3.873 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C#N)c1C ZINC000118832929 837873043 /nfs/dbraw/zinc/87/30/43/837873043.db2.gz SUTUELBYXYNOFW-PKOBYXMFSA-N 1 0 386.540 3.539 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000728711527 837917453 /nfs/dbraw/zinc/91/74/53/837917453.db2.gz CUBGHMSCZJPZQQ-LJQANCHMSA-N 1 0 391.515 3.691 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000177379305 837944254 /nfs/dbraw/zinc/94/42/54/837944254.db2.gz PLUREFDEJJFNRW-UHFFFAOYSA-N 1 0 384.483 3.824 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C#N)c1C ZINC000246368225 838130424 /nfs/dbraw/zinc/13/04/24/838130424.db2.gz NQVRHFZTLFSJAN-QAPCUYQASA-N 1 0 388.581 3.762 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000377954381 838201189 /nfs/dbraw/zinc/20/11/89/838201189.db2.gz MVJLTGGMOSQYME-UHFFFAOYSA-N 1 0 386.402 3.718 20 30 GHEDRO C[NH2+]Cc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000415974524 838352747 /nfs/dbraw/zinc/35/27/47/838352747.db2.gz QUFPQOPVJLRNFF-UHFFFAOYSA-N 1 0 378.476 3.789 20 30 GHEDRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000416034376 838438375 /nfs/dbraw/zinc/43/83/75/838438375.db2.gz TXWKYENYGFEFSH-SCLBCKFNSA-N 1 0 390.409 3.865 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610346598 838586222 /nfs/dbraw/zinc/58/62/22/838586222.db2.gz YHPMKJTVTGMXJX-DLBZAZTESA-N 1 0 376.460 3.553 20 30 GHEDRO Cc1nccn1-c1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000610349029 838598495 /nfs/dbraw/zinc/59/84/95/838598495.db2.gz DMMOJNAZTNKDDF-AWEZNQCLSA-N 1 0 377.423 3.752 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(C#N)c1 ZINC000610352706 838640629 /nfs/dbraw/zinc/64/06/29/838640629.db2.gz MIQYXQZTURQRPQ-WMZOPIPTSA-N 1 0 382.533 3.892 20 30 GHEDRO C[C@H]1CN([C@@H](C[NH2+]Cc2cc(C#N)cs2)c2c(F)cccc2Cl)CCO1 ZINC000177685609 838658194 /nfs/dbraw/zinc/65/81/94/838658194.db2.gz UQSSXFVFQOSGIV-UGSOOPFHSA-N 1 0 393.915 3.964 20 30 GHEDRO CCN1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cccc(C#N)c3)c2C1 ZINC000610364294 838691735 /nfs/dbraw/zinc/69/17/35/838691735.db2.gz OCJUCNOVNHJLRB-MRXNPFEDSA-N 1 0 384.483 3.975 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1OCCCC#N ZINC000181098105 838717573 /nfs/dbraw/zinc/71/75/73/838717573.db2.gz QKWXCBJGMMBLQY-LJQANCHMSA-N 1 0 388.508 3.933 20 30 GHEDRO N#Cc1csc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000177701280 838744753 /nfs/dbraw/zinc/74/47/53/838744753.db2.gz CSFHNXXBXPJCGU-UHFFFAOYSA-N 1 0 377.473 3.626 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CSc3ccc(C#N)cc3)c2)CC1 ZINC000122320288 838948367 /nfs/dbraw/zinc/94/83/67/838948367.db2.gz ZPRVKMMAVXYJKT-UHFFFAOYSA-N 1 0 394.544 3.819 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C1 ZINC000549434087 839099973 /nfs/dbraw/zinc/09/99/73/839099973.db2.gz CWCWXZCMGFJQQZ-IBGZPJMESA-N 1 0 380.540 3.641 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000415075331 839162890 /nfs/dbraw/zinc/16/28/90/839162890.db2.gz BKJWOQKCHZSAFT-PBHICJAKSA-N 1 0 380.448 3.621 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000415075334 839163655 /nfs/dbraw/zinc/16/36/55/839163655.db2.gz BKJWOQKCHZSAFT-YOEHRIQHSA-N 1 0 380.448 3.621 20 30 GHEDRO N#Cc1ccc(CC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1 ZINC000066785703 839166772 /nfs/dbraw/zinc/16/67/72/839166772.db2.gz GWVPAQLPVFRHLD-UHFFFAOYSA-N 1 0 390.487 3.554 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000415089718 839183168 /nfs/dbraw/zinc/18/31/68/839183168.db2.gz WORNAYUOPQYWKX-JOCHJYFZSA-N 1 0 392.459 3.576 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000580298130 839189534 /nfs/dbraw/zinc/18/95/34/839189534.db2.gz NUKZGKRHTBKAAT-NRFANRHFSA-N 1 0 399.560 3.961 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415091673 839198971 /nfs/dbraw/zinc/19/89/71/839198971.db2.gz ZOSCULRCWOLXLP-PBHICJAKSA-N 1 0 380.448 3.608 20 30 GHEDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000415091033 839199119 /nfs/dbraw/zinc/19/91/19/839199119.db2.gz YOIRJVLCNFSRBX-UHFFFAOYSA-N 1 0 382.464 3.998 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCCC1 ZINC000511560156 839311019 /nfs/dbraw/zinc/31/10/19/839311019.db2.gz DOASSZBBBBZKOU-GOSISDBHSA-N 1 0 395.425 3.969 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2cc(Br)no2)n1 ZINC001167496606 844464098 /nfs/dbraw/zinc/46/40/98/844464098.db2.gz LEUAOXYSTPHNIS-POAOACHNSA-N 1 0 399.314 3.634 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549275083 839751880 /nfs/dbraw/zinc/75/18/80/839751880.db2.gz VSMLMSLDHJOQHF-UHFFFAOYSA-N 1 0 385.581 3.819 20 30 GHEDRO C=CCn1c(C)nn(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1=S ZINC000066793820 839766335 /nfs/dbraw/zinc/76/63/35/839766335.db2.gz RUYIEVCUYLPVIU-UHFFFAOYSA-N 1 0 385.581 3.710 20 30 GHEDRO CCOC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000473448589 844470767 /nfs/dbraw/zinc/47/07/67/844470767.db2.gz GEGXITINCQNCSM-PBHICJAKSA-N 1 0 377.554 3.866 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3)c(OCC)c2)CC1 ZINC000190078095 839793938 /nfs/dbraw/zinc/79/39/38/839793938.db2.gz GYGRNLHCILUSNR-UHFFFAOYSA-N 1 0 392.503 3.741 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549849914 844471895 /nfs/dbraw/zinc/47/18/95/844471895.db2.gz DWAYTDOCPWTNFT-HXUWFJFHSA-N 1 0 392.551 3.785 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549290037 839844927 /nfs/dbraw/zinc/84/49/27/839844927.db2.gz GPHWJJJMDGQHIL-HXUWFJFHSA-N 1 0 394.567 3.865 20 30 GHEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000415500014 839870165 /nfs/dbraw/zinc/87/01/65/839870165.db2.gz MEFXLLGJNAHYIB-SFHVURJKSA-N 1 0 381.480 3.709 20 30 GHEDRO CCC[N@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)Cc1ccc(C#N)cc1 ZINC000119264479 839984972 /nfs/dbraw/zinc/98/49/72/839984972.db2.gz FZVYURIKSGWLLX-UHFFFAOYSA-N 1 0 382.508 3.735 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000580711881 840044954 /nfs/dbraw/zinc/04/49/54/840044954.db2.gz LDUKWPREGYZRIU-QFIPXVFZSA-N 1 0 394.519 3.642 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000579816589 840081303 /nfs/dbraw/zinc/08/13/03/840081303.db2.gz MLHMCEVSDPWQAQ-RBUKOAKNSA-N 1 0 388.414 3.814 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000247292227 840114868 /nfs/dbraw/zinc/11/48/68/840114868.db2.gz GMXACWXUUXRSDM-LAUBAEHRSA-N 1 0 377.488 3.549 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000068884671 840209258 /nfs/dbraw/zinc/20/92/58/840209258.db2.gz ZMDBTWAHZIKOPN-LJQANCHMSA-N 1 0 388.515 3.703 20 30 GHEDRO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000418456442 840251940 /nfs/dbraw/zinc/25/19/40/840251940.db2.gz CSVDFOOCJSKWOM-OAQYLSRUSA-N 1 0 382.483 3.927 20 30 GHEDRO [NH2+]=C(NCc1cccc(N2CCCC2=O)c1)Nc1ccccc1OC(F)(F)F ZINC000160666077 840349848 /nfs/dbraw/zinc/34/98/48/840349848.db2.gz UXCPSQGNLKNKAY-UHFFFAOYSA-N 1 0 392.381 3.639 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCc3ccc(CC#N)cc3)c2)CC1 ZINC000584587318 840365291 /nfs/dbraw/zinc/36/52/91/840365291.db2.gz CAQWQWSXADQERA-UHFFFAOYSA-N 1 0 390.531 3.984 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1OC(F)(F)F ZINC000025533488 844537269 /nfs/dbraw/zinc/53/72/69/844537269.db2.gz KLKXAOQYDNCCFF-UHFFFAOYSA-N 1 0 383.395 3.979 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000417096475 840458222 /nfs/dbraw/zinc/45/82/22/840458222.db2.gz QFEYGEQCDGFQEN-UHFFFAOYSA-N 1 0 393.531 3.954 20 30 GHEDRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431923224 840468778 /nfs/dbraw/zinc/46/87/78/840468778.db2.gz CEZPOXDPJSGHRG-HXUWFJFHSA-N 1 0 386.540 3.610 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000584675508 840510135 /nfs/dbraw/zinc/51/01/35/840510135.db2.gz QOUSMYLRGXJKEL-UHFFFAOYSA-N 1 0 384.867 3.744 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000584688839 840560924 /nfs/dbraw/zinc/56/09/24/840560924.db2.gz LPOTYDHQCDAEQE-CYFREDJKSA-N 1 0 389.499 3.791 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418563859 840578450 /nfs/dbraw/zinc/57/84/50/840578450.db2.gz IOFZPSABTCWVCE-QFBILLFUSA-N 1 0 391.487 3.870 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000177891732 840580299 /nfs/dbraw/zinc/58/02/99/840580299.db2.gz ZIJGMVKTPLCWFI-UHFFFAOYSA-N 1 0 394.494 3.855 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581044561 840630483 /nfs/dbraw/zinc/63/04/83/840630483.db2.gz NSOLFSVUCWLUIO-MSOLQXFVSA-N 1 0 386.421 3.930 20 30 GHEDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417362297 840769366 /nfs/dbraw/zinc/76/93/66/840769366.db2.gz JPAXRKDTGKRABI-ACJLOTCBSA-N 1 0 386.293 3.538 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1OC ZINC000093820387 840788018 /nfs/dbraw/zinc/78/80/18/840788018.db2.gz GMSPSACMYLKBGX-SFHVURJKSA-N 1 0 382.298 3.635 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511854564 840959000 /nfs/dbraw/zinc/95/90/00/840959000.db2.gz ILDIUFSXNOEDTH-ZTFGCOKTSA-N 1 0 381.442 3.939 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CCCCC2)CCO1 ZINC000581297017 841034986 /nfs/dbraw/zinc/03/49/86/841034986.db2.gz QGOOHGCNZRBCDX-LEWJYISDSA-N 1 0 395.547 3.592 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(OCc2ccccc2C#N)c1)C[C@H]1CCCO1 ZINC000584846394 841060041 /nfs/dbraw/zinc/06/00/41/841060041.db2.gz IPIHJGYPIAHTOU-XMMPIXPASA-N 1 0 393.531 3.680 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000086285314 844605960 /nfs/dbraw/zinc/60/59/60/844605960.db2.gz DWUPYXWFMXBMTB-UHFFFAOYSA-N 1 0 375.492 3.515 20 30 GHEDRO N#CCCCCNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000171401196 844613013 /nfs/dbraw/zinc/61/30/13/844613013.db2.gz JKGBQUKSRRZSRH-UHFFFAOYSA-N 1 0 385.512 3.707 20 30 GHEDRO N#CC(CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000581377830 841198246 /nfs/dbraw/zinc/19/82/46/841198246.db2.gz QAGGDRMVJSONEP-XMMPIXPASA-N 1 0 389.543 3.683 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000549526881 841350476 /nfs/dbraw/zinc/35/04/76/841350476.db2.gz CSNGNPLRXYCXMU-GUYCJALGSA-N 1 0 376.298 3.792 20 30 GHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)C1 ZINC000651699856 841395007 /nfs/dbraw/zinc/39/50/07/841395007.db2.gz JLSRVGDGZIJFQE-LSDHHAIUSA-N 1 0 395.341 3.912 20 30 GHEDRO C[C@H](CNC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)[NH+]1CCC(C)CC1 ZINC000329259847 861211060 /nfs/dbraw/zinc/21/10/60/861211060.db2.gz AHZXAGVLQLKIJZ-MJGOQNOKSA-N 1 0 396.539 3.643 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2)c1 ZINC000593758841 861220844 /nfs/dbraw/zinc/22/08/44/861220844.db2.gz YMFLHJQHMBLHIN-JTSKRJEESA-N 1 0 376.460 3.943 20 30 GHEDRO CC(C)C(=O)Nc1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000329267491 861221818 /nfs/dbraw/zinc/22/18/18/861221818.db2.gz GKEXNZFUFKJCDB-HXUWFJFHSA-N 1 0 386.540 3.645 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]Cc3ccc(OCc4cccc(F)c4)cc3)cnc12 ZINC000555552505 861224792 /nfs/dbraw/zinc/22/47/92/861224792.db2.gz PMQSCSDOCMWVRP-UHFFFAOYSA-N 1 0 387.418 3.609 20 30 GHEDRO Cc1cccnc1OC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000581594218 841741844 /nfs/dbraw/zinc/74/18/44/841741844.db2.gz ZKHNHQXDOSVEGB-UHFFFAOYSA-N 1 0 398.894 3.787 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000477111644 841755912 /nfs/dbraw/zinc/75/59/12/841755912.db2.gz NVBXSQLVPDXHEI-GOSISDBHSA-N 1 0 389.565 3.532 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)o1 ZINC000603837591 861253744 /nfs/dbraw/zinc/25/37/44/861253744.db2.gz WEWBXSBWDYKFBY-ZWDAVXSWSA-N 1 0 380.488 3.873 20 30 GHEDRO C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329304504 861265426 /nfs/dbraw/zinc/26/54/26/861265426.db2.gz XWSHPSDRPSGQEB-ZIBCJSCZSA-N 1 0 398.551 3.642 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CCOC(c1ccccc1)c1ccccc1 ZINC000121443488 842076884 /nfs/dbraw/zinc/07/68/84/842076884.db2.gz JLRCYQAJUWPWQJ-UHFFFAOYSA-N 1 0 389.503 3.534 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000066905357 842083636 /nfs/dbraw/zinc/08/36/36/842083636.db2.gz TZGNKUCOZPBEKL-QFIPXVFZSA-N 1 0 399.498 3.686 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000161863076 861275800 /nfs/dbraw/zinc/27/58/00/861275800.db2.gz WGTWZTIUQQHEJO-OAQYLSRUSA-N 1 0 391.515 3.845 20 30 GHEDRO CC(C)C(=O)N1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905500 842144818 /nfs/dbraw/zinc/14/48/18/842144818.db2.gz JBEPCWMKQCHOBE-UHFFFAOYSA-N 1 0 391.515 3.874 20 30 GHEDRO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121464130 842228757 /nfs/dbraw/zinc/22/87/57/842228757.db2.gz LXZLOOYYEYSZAU-LBPRGKRZSA-N 1 0 384.871 3.798 20 30 GHEDRO C(#CC[NH+]1CCC([C@@H]2CCCCO2)CC1)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661864757 842248572 /nfs/dbraw/zinc/24/85/72/842248572.db2.gz CJUPHAQCIFIMBA-PSWAGMNNSA-N 1 0 388.596 3.552 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCCC[C@H]2CCO)ccc1Cl ZINC000585754811 842263494 /nfs/dbraw/zinc/26/34/94/842263494.db2.gz BOGPYKHUWFDVIA-KRWDZBQOSA-N 1 0 377.916 3.522 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000581840294 842268557 /nfs/dbraw/zinc/26/85/57/842268557.db2.gz CJYFLMOKOQCLGZ-SJORKVTESA-N 1 0 379.426 3.640 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+](C)C)c1 ZINC000157237285 861309182 /nfs/dbraw/zinc/30/91/82/861309182.db2.gz ABNZRIISPJAUIG-LEWJYISDSA-N 1 0 380.492 3.642 20 30 GHEDRO C[C@H](C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329353172 861318042 /nfs/dbraw/zinc/31/80/42/861318042.db2.gz UWTRHPJBAYIRPO-FSZRXZPDSA-N 1 0 385.487 3.617 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000328845120 842554874 /nfs/dbraw/zinc/55/48/74/842554874.db2.gz AAYWGDVQBBUXFK-OAQYLSRUSA-N 1 0 395.551 3.935 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000247413153 842584431 /nfs/dbraw/zinc/58/44/31/842584431.db2.gz MSGVHJDXVKPQOP-PBFBIOBFSA-N 1 0 383.442 3.723 20 30 GHEDRO C=CCc1cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000107601815 842753768 /nfs/dbraw/zinc/75/37/68/842753768.db2.gz QNDMVFBZHCMNLN-QZTJIDSGSA-N 1 0 388.552 3.920 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000891766422 842859158 /nfs/dbraw/zinc/85/91/58/842859158.db2.gz OXQJTTYNDFOTOA-YWZLYKJASA-N 1 0 398.457 3.830 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000510535829 842922734 /nfs/dbraw/zinc/92/27/34/842922734.db2.gz XUOCIZLBACEGTM-FQEVSTJZSA-N 1 0 390.531 3.969 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+](C)C ZINC000510551515 842950290 /nfs/dbraw/zinc/95/02/90/842950290.db2.gz UUSZXICEHKOJBS-UTKZUKDTSA-N 1 0 379.504 3.832 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512193739 842965114 /nfs/dbraw/zinc/96/51/14/842965114.db2.gz FUTYSQDSAACHMW-OXQOHEQNSA-N 1 0 397.567 3.589 20 30 GHEDRO C=C(C)Cn1c(CCCC)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549656611 843020916 /nfs/dbraw/zinc/02/09/16/843020916.db2.gz LXIIQMQSNDJGDQ-KDURUIRLSA-N 1 0 389.588 3.522 20 30 GHEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000510628479 843081792 /nfs/dbraw/zinc/08/17/92/843081792.db2.gz IMQFASRQMFRFPV-ROUUACIJSA-N 1 0 389.565 3.843 20 30 GHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)n2)C1 ZINC000329404336 861377259 /nfs/dbraw/zinc/37/72/59/861377259.db2.gz CHWBDUCQRAIZJM-OIISXLGYSA-N 1 0 394.585 3.649 20 30 GHEDRO CC[C@@H]1C[C@@H](C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)CC(=O)N1 ZINC000329403668 861377423 /nfs/dbraw/zinc/37/74/23/861377423.db2.gz CEUXEEUXOAUSOT-IAGOWNOFSA-N 1 0 376.501 3.605 20 30 GHEDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662412096 843195351 /nfs/dbraw/zinc/19/53/51/843195351.db2.gz IVPDCXJJQDOJPI-SNVBAGLBSA-N 1 0 386.311 3.705 20 30 GHEDRO C#Cc1ccc(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)nc1 ZINC000728862318 843238270 /nfs/dbraw/zinc/23/82/70/843238270.db2.gz BIYSKRGBPGFESE-IBGZPJMESA-N 1 0 389.421 3.895 20 30 GHEDRO CCC[C@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCOC1 ZINC000512277099 843301144 /nfs/dbraw/zinc/30/11/44/843301144.db2.gz NAAWZXVAFBLMIG-QFIPXVFZSA-N 1 0 398.482 3.592 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc(OC)c1O ZINC000091687387 843328748 /nfs/dbraw/zinc/32/87/48/843328748.db2.gz AGPMQRVGXMJSRU-UHFFFAOYSA-N 1 0 395.503 3.683 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000548417100 843336567 /nfs/dbraw/zinc/33/65/67/843336567.db2.gz UKTDQAVULZMTMZ-IFXJQAMLSA-N 1 0 389.833 3.913 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)cc1F ZINC000512296232 843339571 /nfs/dbraw/zinc/33/95/71/843339571.db2.gz PFNHDJTUUKOQFG-CXAGYDPISA-N 1 0 379.414 3.761 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610644380 843346847 /nfs/dbraw/zinc/34/68/47/843346847.db2.gz WPPOKVFYXZSHJA-HNNXBMFYSA-N 1 0 384.446 3.925 20 30 GHEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662564088 843406586 /nfs/dbraw/zinc/40/65/86/843406586.db2.gz XYCVKYPLVXEFIY-CABZTGNLSA-N 1 0 386.311 3.846 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N(CCOC)Cc2ccc(C#N)cc2)cc1)C1CC1 ZINC000510782530 843472967 /nfs/dbraw/zinc/47/29/67/843472967.db2.gz LEIQODJWQXCKBI-UHFFFAOYSA-N 1 0 391.515 3.831 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000418649266 843503249 /nfs/dbraw/zinc/50/32/49/843503249.db2.gz JAQHJVLTEXGFKY-HXUWFJFHSA-N 1 0 382.464 3.555 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)Nc1cnn(CC)c1 ZINC000171086949 861423730 /nfs/dbraw/zinc/42/37/30/861423730.db2.gz YKXIXBHZGXGJEU-UHFFFAOYSA-O 1 0 379.509 3.804 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000555625746 861430436 /nfs/dbraw/zinc/43/04/36/861430436.db2.gz JWXKJJPCLMEBCE-FXAWDEMLSA-N 1 0 395.478 3.830 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1F ZINC000510831640 843588390 /nfs/dbraw/zinc/58/83/90/843588390.db2.gz UYJGEHWOLZJJGF-IEBWSBKVSA-N 1 0 387.405 3.664 20 30 GHEDRO CCOCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000599623637 861449561 /nfs/dbraw/zinc/44/95/61/861449561.db2.gz AWLGDGFBRXPPPP-JOCHJYFZSA-N 1 0 377.488 3.913 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)c(F)c1 ZINC000512834455 843832146 /nfs/dbraw/zinc/83/21/46/843832146.db2.gz RPSNFFVZYJZPET-UHFFFAOYSA-N 1 0 396.331 3.755 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](O)C[C@H]2c2ccccc2)ccc1Cl ZINC000411960510 843953582 /nfs/dbraw/zinc/95/35/82/843953582.db2.gz YYQGFSZRNHPKRS-FPOVZHCZSA-N 1 0 397.906 3.703 20 30 GHEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000320207144 843971428 /nfs/dbraw/zinc/97/14/28/843971428.db2.gz DPWRRIICDOCKQD-LLVKDONJSA-N 1 0 393.119 3.637 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000512576889 844634765 /nfs/dbraw/zinc/63/47/65/844634765.db2.gz FMGISOOYFXBZLA-UHFFFAOYSA-N 1 0 377.444 3.703 20 30 GHEDRO COc1ccccc1/C=C/C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512590414 844673442 /nfs/dbraw/zinc/67/34/42/844673442.db2.gz NEHFFQAGZPOKJW-VMPITWQZSA-N 1 0 375.472 3.931 20 30 GHEDRO C[N@H+](CCOC(C)(C)C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610859798 844701666 /nfs/dbraw/zinc/70/16/66/844701666.db2.gz MQTMZLPVYVGNLB-UHFFFAOYSA-N 1 0 377.554 3.964 20 30 GHEDRO COc1ccc(C)cc1CN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000610877435 844724084 /nfs/dbraw/zinc/72/40/84/844724084.db2.gz BBWVKQAKLXEWFO-UHFFFAOYSA-N 1 0 398.894 3.878 20 30 GHEDRO O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329473593 861496280 /nfs/dbraw/zinc/49/62/80/861496280.db2.gz AONNONIBHQRWHP-TZMCWYRMSA-N 1 0 375.366 3.720 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000246432236 844818955 /nfs/dbraw/zinc/81/89/55/844818955.db2.gz VMHGSULSDNYFMT-QZTJIDSGSA-N 1 0 381.524 3.557 20 30 GHEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000176202108 844823378 /nfs/dbraw/zinc/82/33/78/844823378.db2.gz SCZCWOMFSJLPFO-KRWDZBQOSA-N 1 0 375.472 3.998 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000614460153 844907833 /nfs/dbraw/zinc/90/78/33/844907833.db2.gz STWFKUZUWSHWHE-HUUCEWRRSA-N 1 0 384.332 3.517 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000329484256 861517669 /nfs/dbraw/zinc/51/76/69/861517669.db2.gz SFKQREVSCUZXSH-SMDDNHRTSA-N 1 0 382.386 3.951 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)cc1 ZINC000512669925 844986215 /nfs/dbraw/zinc/98/62/15/844986215.db2.gz APXXITUUICOLGE-UHFFFAOYSA-N 1 0 387.527 3.714 20 30 GHEDRO CC(C)[N@@H+](Cc1ccnc(C#N)c1)C[C@H](O)COc1cccc2ccccc21 ZINC000610992470 845076871 /nfs/dbraw/zinc/07/68/71/845076871.db2.gz IDNCVFSHGYNSLZ-NRFANRHFSA-N 1 0 375.472 3.757 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)nn1[C@H](C)C1CC1 ZINC000329493679 861539006 /nfs/dbraw/zinc/53/90/06/861539006.db2.gz UIHNGTLUGQQXEZ-QGZVFWFLSA-N 1 0 381.524 3.859 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000277213611 845310788 /nfs/dbraw/zinc/31/07/88/845310788.db2.gz WXWHBXYYOJUYPQ-CQSZACIVSA-N 1 0 377.893 3.606 20 30 GHEDRO Cc1csc([C@H]2CCC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000182726579 845530425 /nfs/dbraw/zinc/53/04/25/845530425.db2.gz JIXMGFRZFXSXMI-PKOBYXMFSA-N 1 0 380.517 3.698 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182800906 845543744 /nfs/dbraw/zinc/54/37/44/845543744.db2.gz LRPSBOMUXYPJOV-ZDUSSCGKSA-N 1 0 397.426 3.501 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000600311419 861579563 /nfs/dbraw/zinc/57/95/63/861579563.db2.gz BASZFMXBSWIGOE-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000433178622 845595790 /nfs/dbraw/zinc/59/57/90/845595790.db2.gz WSVNVVJHDZENPB-UHFFFAOYSA-N 1 0 385.512 3.515 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000119596807 845610432 /nfs/dbraw/zinc/61/04/32/845610432.db2.gz UNJPDHYSYNEOHS-GGAORHGYSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CCOc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000513559705 845666593 /nfs/dbraw/zinc/66/65/93/845666593.db2.gz ZLSGEUNTBYALSV-UHFFFAOYSA-N 1 0 394.519 3.633 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000538955786 845743793 /nfs/dbraw/zinc/74/37/93/845743793.db2.gz MQUYSHDPASKGMG-INIZCTEOSA-N 1 0 377.366 3.634 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329532104 861603839 /nfs/dbraw/zinc/60/38/39/861603839.db2.gz JTIHSYKSUNBTCQ-VRRQFBSDSA-N 1 0 377.573 3.617 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1OC ZINC000414515640 846193769 /nfs/dbraw/zinc/19/37/69/846193769.db2.gz NRBKUGFCFPTSNI-YDHLFZDLSA-N 1 0 384.314 3.926 20 30 GHEDRO COC1([C@H](C)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 ZINC000421404472 846204105 /nfs/dbraw/zinc/20/41/05/846204105.db2.gz PUZGWUGGUMBQBZ-SFHVURJKSA-N 1 0 380.488 3.811 20 30 GHEDRO CC[C@H]1C[C@@]1([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(C)c1 ZINC000502560600 846205258 /nfs/dbraw/zinc/20/52/58/846205258.db2.gz RPXIOKMBLSCSGC-CYFREDJKSA-N 1 0 399.498 3.906 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000502563351 846207877 /nfs/dbraw/zinc/20/78/77/846207877.db2.gz MXEKZBORKJCOSB-ZLKJLUDKSA-N 1 0 383.464 3.575 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000280554642 846433935 /nfs/dbraw/zinc/43/39/35/846433935.db2.gz FEYVUKZXYLYCHY-GCJKJVERSA-N 1 0 386.492 3.950 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179650223 861684301 /nfs/dbraw/zinc/68/43/01/861684301.db2.gz CFQHUIJGJJVOMT-MRXNPFEDSA-N 1 0 382.891 3.700 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000280732389 846514340 /nfs/dbraw/zinc/51/43/40/846514340.db2.gz RDELJGDGXJKSLN-IERDGZPVSA-N 1 0 378.476 3.705 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000255493640 846514463 /nfs/dbraw/zinc/51/44/63/846514463.db2.gz BPBYLROPOJHFIM-UHFFFAOYSA-N 1 0 383.517 3.511 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1OCc1cccc(C#N)c1 ZINC000502843471 846535943 /nfs/dbraw/zinc/53/59/43/846535943.db2.gz STJHKXNGDPLLIF-NHCUHLMSSA-N 1 0 380.488 3.787 20 30 GHEDRO CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502954119 846651845 /nfs/dbraw/zinc/65/18/45/846651845.db2.gz WQBQFGZKZKGXDF-UHFFFAOYSA-N 1 0 398.551 3.638 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCCSCc1ccccc1C#N)C1CCCCC1 ZINC000501353644 846864614 /nfs/dbraw/zinc/86/46/14/846864614.db2.gz RWHHBOIJQVWXDP-FQEVSTJZSA-N 1 0 388.581 3.601 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000728488094 846924470 /nfs/dbraw/zinc/92/44/70/846924470.db2.gz HJHHRKSVZMEFKQ-GOSISDBHSA-N 1 0 394.490 3.927 20 30 GHEDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000271873975 846941229 /nfs/dbraw/zinc/94/12/29/846941229.db2.gz XECBOZNMXNLGFQ-HNNXBMFYSA-N 1 0 392.908 3.757 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000478179641 846993237 /nfs/dbraw/zinc/99/32/37/846993237.db2.gz NUMSTTAMBYBGAZ-JXFKEZNVSA-N 1 0 397.906 3.932 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501540728 847004137 /nfs/dbraw/zinc/00/41/37/847004137.db2.gz ZXRIEGOUZYXVMO-ZIAGYGMSSA-N 1 0 398.429 3.741 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N1CCC(C)(C#N)CC1)[NH+]1CCCCC1 ZINC000272636992 847131621 /nfs/dbraw/zinc/13/16/21/847131621.db2.gz YQNDCJKPVQUJPJ-IBGZPJMESA-N 1 0 384.524 3.557 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000272642147 847132425 /nfs/dbraw/zinc/13/24/25/847132425.db2.gz ONMHDRONGZVJLV-IEBWSBKVSA-N 1 0 386.540 3.772 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000183813955 847190459 /nfs/dbraw/zinc/19/04/59/847190459.db2.gz JRFMYPXBVFTAQH-ZDUSSCGKSA-N 1 0 379.407 3.529 20 30 GHEDRO CC(C)CC1(C)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000329617942 861781909 /nfs/dbraw/zinc/78/19/09/861781909.db2.gz GABXKUBJBBRDPR-UXHICEINSA-N 1 0 379.589 3.817 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCc3ccc(C#N)s3)c2)CC1 ZINC000420782975 847427961 /nfs/dbraw/zinc/42/79/61/847427961.db2.gz ADYBSOJTGFHUPH-UHFFFAOYSA-N 1 0 382.533 3.851 20 30 GHEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000731665900 861796315 /nfs/dbraw/zinc/79/63/15/861796315.db2.gz HGHQHFLTLFZVTQ-HSZRJFAPSA-N 1 0 383.536 3.830 20 30 GHEDRO COC[C@@]1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)OCCc2ccccc21 ZINC000562073788 847517339 /nfs/dbraw/zinc/51/73/39/847517339.db2.gz IHFYPAHIPKPVNS-HXUWFJFHSA-N 1 0 390.405 3.781 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000503236223 847518936 /nfs/dbraw/zinc/51/89/36/847518936.db2.gz UBNAMGBXPVKYLI-JOCHJYFZSA-N 1 0 376.504 3.867 20 30 GHEDRO CC1(C)CCc2cc(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)ccc2O1 ZINC000731679124 861807396 /nfs/dbraw/zinc/80/73/96/861807396.db2.gz WXUKCEXAJQHUPJ-UHFFFAOYSA-N 1 0 376.504 3.815 20 30 GHEDRO COc1ccc(CN(CC[NH3+])c2ccc3ccccc3n2)cc1OCCCC#N ZINC000414492074 847642270 /nfs/dbraw/zinc/64/22/70/847642270.db2.gz RBHAQMNZIFYPTR-UHFFFAOYSA-N 1 0 390.487 3.891 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000421049863 847666810 /nfs/dbraw/zinc/66/68/10/847666810.db2.gz DOISJWNTGUHCSU-SFHVURJKSA-N 1 0 394.475 3.917 20 30 GHEDRO N#Cc1ccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)s1 ZINC000421073476 847690020 /nfs/dbraw/zinc/69/00/20/847690020.db2.gz VVTDAJCIVXCLTF-UHFFFAOYSA-N 1 0 384.505 3.806 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)C ZINC000503436181 847693263 /nfs/dbraw/zinc/69/32/63/847693263.db2.gz NRQPSKVXJMJZQO-QFIPXVFZSA-N 1 0 380.536 3.934 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421324058 847946849 /nfs/dbraw/zinc/94/68/49/847946849.db2.gz JIQTVKNLJJQJTJ-INIZCTEOSA-N 1 0 380.467 3.804 20 30 GHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000502522427 847963076 /nfs/dbraw/zinc/96/30/76/847963076.db2.gz CKGRJAXHQVGMEE-QHCPKHFHSA-N 1 0 399.535 3.550 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)s1 ZINC000421350445 847968473 /nfs/dbraw/zinc/96/84/73/847968473.db2.gz LOLFDNLSEVFRRS-NSHDSACASA-N 1 0 378.295 3.889 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329637964 861859869 /nfs/dbraw/zinc/85/98/69/861859869.db2.gz VWCQLVCRKIEJLO-WOJBJXKFSA-N 1 0 379.508 3.648 20 30 GHEDRO N#Cc1c(F)cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)cc1F ZINC000599901275 861889508 /nfs/dbraw/zinc/88/95/08/861889508.db2.gz ZGFXSTBRWWXCDV-VQTJNVASSA-N 1 0 395.453 3.611 20 30 GHEDRO [NH2+]=C(NCc1ccnc(N2CCCC2)c1)Nc1ccccc1OC(F)(F)F ZINC000160636513 848353320 /nfs/dbraw/zinc/35/33/20/848353320.db2.gz LKZUGABHHCFZGJ-UHFFFAOYSA-N 1 0 379.386 3.507 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000153334511 848362102 /nfs/dbraw/zinc/36/21/02/848362102.db2.gz XYJBLSPFVNXXIF-UHFFFAOYSA-N 1 0 390.325 3.630 20 30 GHEDRO C=CCC1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCOCC1 ZINC000657633406 848390472 /nfs/dbraw/zinc/39/04/72/848390472.db2.gz OCXUBIZZPQGPTR-UHFFFAOYSA-N 1 0 382.298 3.825 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000548770681 848402664 /nfs/dbraw/zinc/40/26/64/848402664.db2.gz WHOYYVRQGJPABY-PGRDOPGGSA-N 1 0 377.488 3.926 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000178666827 848420068 /nfs/dbraw/zinc/42/00/68/848420068.db2.gz BLZLJZDHSCWNOS-OAQYLSRUSA-N 1 0 391.531 3.567 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1cccc(C#N)c1 ZINC000048825979 848663571 /nfs/dbraw/zinc/66/35/71/848663571.db2.gz RBZVRZXAYYJDKA-GOSISDBHSA-N 1 0 376.504 3.932 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(C#N)cc(N(C)C)c3)cc2)C1 ZINC000572890688 848677134 /nfs/dbraw/zinc/67/71/34/848677134.db2.gz JBTVSNDUXVLRTH-QGZVFWFLSA-N 1 0 392.503 3.597 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000572892542 848684668 /nfs/dbraw/zinc/68/46/68/848684668.db2.gz HAYZLPFIRJEQGY-FQEVSTJZSA-N 1 0 393.491 3.987 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000582951856 848752922 /nfs/dbraw/zinc/75/29/22/848752922.db2.gz PQLFYPHMEIXZQG-IBGZPJMESA-N 1 0 388.519 3.627 20 30 GHEDRO C[C@@H]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[NH2+]1 ZINC000599938953 861938992 /nfs/dbraw/zinc/93/89/92/861938992.db2.gz KHICIUKCVVRWTJ-IERDGZPVSA-N 1 0 380.467 3.550 20 30 GHEDRO CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)C1CC[NH+](C)CC1 ZINC000599986447 861982678 /nfs/dbraw/zinc/98/26/78/861982678.db2.gz SIQXOGFOCWTNFS-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC000329673562 862005583 /nfs/dbraw/zinc/00/55/83/862005583.db2.gz VAFVTIFGISJHKQ-VXIBKDFQSA-N 1 0 379.570 3.840 20 30 GHEDRO N#CC1(CCCC[NH2+][C@@H](CO)c2ccccc2I)CCC1 ZINC000934827451 849351165 /nfs/dbraw/zinc/35/11/65/849351165.db2.gz WEAXPNFPIBOJBX-INIZCTEOSA-N 1 0 398.288 3.778 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1Cl ZINC000604286161 862034894 /nfs/dbraw/zinc/03/48/94/862034894.db2.gz UDJNIWICXBMXAV-FQEVSTJZSA-N 1 0 384.911 3.823 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000278235754 849777782 /nfs/dbraw/zinc/77/77/82/849777782.db2.gz KPNQFYJATVTGLS-JOCHJYFZSA-N 1 0 376.504 3.702 20 30 GHEDRO CC1(C)Cc2cccc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2O1 ZINC000503933091 849781026 /nfs/dbraw/zinc/78/10/26/849781026.db2.gz WFOVSNAYNYCKJA-FQEVSTJZSA-N 1 0 375.472 3.557 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000481699925 862060982 /nfs/dbraw/zinc/06/09/82/862060982.db2.gz YIIYRHVBCAMBED-VQTJNVASSA-N 1 0 377.573 3.796 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000504082063 849887661 /nfs/dbraw/zinc/88/76/61/849887661.db2.gz VYUHFRILQXPIEV-HSZRJFAPSA-N 1 0 388.515 3.530 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000180311284 862067632 /nfs/dbraw/zinc/06/76/32/862067632.db2.gz AUBMGBGBIBEMEM-DENIHFKCSA-N 1 0 383.467 3.590 20 30 GHEDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000536022988 849901245 /nfs/dbraw/zinc/90/12/45/849901245.db2.gz KAWKSRPHACEIRS-IBGZPJMESA-N 1 0 380.398 3.728 20 30 GHEDRO CC(C)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000435038840 850003344 /nfs/dbraw/zinc/00/33/44/850003344.db2.gz XANIGFUDKDFMRE-QHCPKHFHSA-N 1 0 387.527 3.789 20 30 GHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000604320785 862083371 /nfs/dbraw/zinc/08/33/71/862083371.db2.gz BKNSSMMQJVIDMC-QGZVFWFLSA-N 1 0 379.464 3.599 20 30 GHEDRO N#Cc1c(F)cc(C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)cc1F ZINC000908407005 850083018 /nfs/dbraw/zinc/08/30/18/850083018.db2.gz GTPAYACTSZZLRZ-UHFFFAOYSA-N 1 0 382.370 3.826 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cc(C#N)ccc3F)cc2)C1 ZINC000465581276 862092321 /nfs/dbraw/zinc/09/23/21/862092321.db2.gz XXJNZXHNOJWSRF-KRWDZBQOSA-N 1 0 394.494 3.929 20 30 GHEDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435136363 850120302 /nfs/dbraw/zinc/12/03/02/850120302.db2.gz BDLWIUHIMOLDEP-VGOFRKELSA-N 1 0 387.487 3.683 20 30 GHEDRO C[N@H+](CCc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1)C1CC1 ZINC000504549153 850141185 /nfs/dbraw/zinc/14/11/85/850141185.db2.gz SWLPWTGWRHGDHN-JOCHJYFZSA-N 1 0 385.508 3.523 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCCC2 ZINC000439641369 850204582 /nfs/dbraw/zinc/20/45/82/850204582.db2.gz AXOOAEJBRLRBDA-NSISKUIASA-N 1 0 387.499 3.788 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000424117699 850231325 /nfs/dbraw/zinc/23/13/25/850231325.db2.gz BPTMWTPOERPEMG-OALUTQOASA-N 1 0 389.613 3.981 20 30 GHEDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424120842 850234452 /nfs/dbraw/zinc/23/44/52/850234452.db2.gz HKFOOCKYOIEAOI-FGZHOGPDSA-N 1 0 379.504 3.733 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000486920298 850243003 /nfs/dbraw/zinc/24/30/03/850243003.db2.gz QKIDACIIWFJXKQ-UHFFFAOYSA-N 1 0 396.535 3.993 20 30 GHEDRO COc1ccccc1-c1csc(C2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)n1 ZINC000424186594 850267149 /nfs/dbraw/zinc/26/71/49/850267149.db2.gz IOQVWHQFQFVLBI-KRWDZBQOSA-N 1 0 398.532 3.546 20 30 GHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000486966123 850306013 /nfs/dbraw/zinc/30/60/13/850306013.db2.gz JVMHRNPQKVYTQJ-QGZVFWFLSA-N 1 0 386.517 3.518 20 30 GHEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000518910943 850316841 /nfs/dbraw/zinc/31/68/41/850316841.db2.gz MQOINQXCDOKJIZ-HXUWFJFHSA-N 1 0 392.503 3.890 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000506658975 850328550 /nfs/dbraw/zinc/32/85/50/850328550.db2.gz AEUMZZBBBVAVEK-PMACEKPBSA-N 1 0 393.487 3.812 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000486994152 850332481 /nfs/dbraw/zinc/33/24/81/850332481.db2.gz GEOZMTQDEXMMGZ-HNAYVOBHSA-N 1 0 379.932 3.756 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000732190501 862117901 /nfs/dbraw/zinc/11/79/01/862117901.db2.gz ISQRHGZHKYMMAN-QGZVFWFLSA-N 1 0 384.549 3.606 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C[NH+]1CCCCC1 ZINC000518914680 850344469 /nfs/dbraw/zinc/34/44/69/850344469.db2.gz BUWICRHSCUEGCZ-QGZVFWFLSA-N 1 0 378.476 3.597 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000506694069 850467625 /nfs/dbraw/zinc/46/76/25/850467625.db2.gz AZODIXFFTWSUEJ-JOCHJYFZSA-N 1 0 385.552 3.810 20 30 GHEDRO N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000514993171 850562253 /nfs/dbraw/zinc/56/22/53/850562253.db2.gz GHWZAGYXWUDIPX-DQVLVPHSSA-N 1 0 396.535 3.557 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)C2)C1 ZINC000505702145 850588504 /nfs/dbraw/zinc/58/85/04/850588504.db2.gz VZCFHAAJIURJOB-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO N#CCCC[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000487252114 850621358 /nfs/dbraw/zinc/62/13/58/850621358.db2.gz PCCCWZKPCPVRRB-QHCPKHFHSA-N 1 0 390.531 3.750 20 30 GHEDRO Cn1ncc(Br)c1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000487279151 850637387 /nfs/dbraw/zinc/63/73/87/850637387.db2.gz OATSTKONKRUNCI-UHFFFAOYSA-N 1 0 389.297 3.534 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC(CC[NH3+])CC2)cc1OC ZINC000515064672 850639718 /nfs/dbraw/zinc/63/97/18/850639718.db2.gz YBPKTJOQYGXQRC-UHFFFAOYSA-N 1 0 383.330 3.583 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000435671873 850759548 /nfs/dbraw/zinc/75/95/48/850759548.db2.gz GGMHJWRMTZFXFH-COPCDDAFSA-N 1 0 380.488 3.946 20 30 GHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000604416507 862190850 /nfs/dbraw/zinc/19/08/50/862190850.db2.gz YQNDNGXLXLQXFT-XZOQPEGZSA-N 1 0 378.516 3.762 20 30 GHEDRO CN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440252459 850985095 /nfs/dbraw/zinc/98/50/95/850985095.db2.gz FMAVNZUNYFUIFI-FGZHOGPDSA-N 1 0 376.504 3.947 20 30 GHEDRO CSC1(CNC(=O)c2ccc(C#Cc3ccccc3)cc2)CC[NH+](C)CC1 ZINC000519488247 851106722 /nfs/dbraw/zinc/10/67/22/851106722.db2.gz BJQXKHHOXCKEMG-UHFFFAOYSA-N 1 0 378.541 3.644 20 30 GHEDRO Cc1nc(SCC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000604439697 862207456 /nfs/dbraw/zinc/20/74/56/862207456.db2.gz HOWADZKASGZNBR-LHSJRXKWSA-N 1 0 388.581 3.597 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@](C)(C#N)C(C)(C)C)C1 ZINC000436032270 851120708 /nfs/dbraw/zinc/12/07/08/851120708.db2.gz ZBOFYCVUOPZLJA-HSZRJFAPSA-N 1 0 380.536 3.852 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000604468332 862209796 /nfs/dbraw/zinc/20/97/96/862209796.db2.gz KSVDYOVHYRCZNF-QGZVFWFLSA-N 1 0 379.287 3.631 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[N@H+](C)CC[C@@H]2C)cc1OC ZINC000514088774 851226319 /nfs/dbraw/zinc/22/63/19/851226319.db2.gz MTYBOWFRYWTFCE-AWEZNQCLSA-N 1 0 383.330 3.549 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000425476084 851256133 /nfs/dbraw/zinc/25/61/33/851256133.db2.gz NJZCISVCOYPTIE-QZTJIDSGSA-N 1 0 391.519 3.881 20 30 GHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)sc2nccc(C)c12 ZINC000604482150 862223505 /nfs/dbraw/zinc/22/35/05/862223505.db2.gz NEUGYDFSIGJBTG-UHFFFAOYSA-N 1 0 392.528 3.989 20 30 GHEDRO COCC(C)(C)[NH+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000425500924 851368214 /nfs/dbraw/zinc/36/82/14/851368214.db2.gz CZRYYMUYENQXQR-UHFFFAOYSA-N 1 0 391.559 3.929 20 30 GHEDRO C=CCOc1ccc(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000550071890 851376191 /nfs/dbraw/zinc/37/61/91/851376191.db2.gz MTYJTZUFFBFKHV-UHFFFAOYSA-N 1 0 379.504 3.689 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604521416 862242269 /nfs/dbraw/zinc/24/22/69/862242269.db2.gz IUIDLZIAGCMKOL-HMXCVIKNSA-N 1 0 383.536 3.817 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434660985 851436967 /nfs/dbraw/zinc/43/69/67/851436967.db2.gz BUQMIDHMXFUKCG-JOCHJYFZSA-N 1 0 397.490 3.889 20 30 GHEDRO Cc1ccc(C[C@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)cc1 ZINC000604522134 862244664 /nfs/dbraw/zinc/24/46/64/862244664.db2.gz YNDZXRJPJSADRZ-PKTZIBPZSA-N 1 0 378.516 3.756 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000436319211 851456700 /nfs/dbraw/zinc/45/67/00/851456700.db2.gz ZRCQERSZOPHPLS-LBTNJELSSA-N 1 0 381.314 3.737 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1)C1CC1 ZINC000505481468 851495373 /nfs/dbraw/zinc/49/53/73/851495373.db2.gz URKXIELGZOUQLO-SFHVURJKSA-N 1 0 379.426 3.873 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000488436906 851501347 /nfs/dbraw/zinc/50/13/47/851501347.db2.gz BTGAFAOTQVSIAR-IBGZPJMESA-N 1 0 375.561 3.672 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000515839475 851546790 /nfs/dbraw/zinc/54/67/90/851546790.db2.gz TYYDGOUDKHJDOT-BEFAXECRSA-N 1 0 385.895 3.614 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000425542849 851586333 /nfs/dbraw/zinc/58/63/33/851586333.db2.gz YUPNICVKFXBAMQ-QGZVFWFLSA-N 1 0 390.487 3.707 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)CC1 ZINC000436415293 851586741 /nfs/dbraw/zinc/58/67/41/851586741.db2.gz AJMFVQHABZAMKX-UHFFFAOYSA-N 1 0 393.462 3.591 20 30 GHEDRO Cc1csc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1C#N ZINC000515864954 851600976 /nfs/dbraw/zinc/60/09/76/851600976.db2.gz RYMKBBVJIOXVBK-UHFFFAOYSA-N 1 0 378.448 3.802 20 30 GHEDRO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000329747920 862287851 /nfs/dbraw/zinc/28/78/51/862287851.db2.gz SRDCHVFZTBHFLF-SFHVURJKSA-N 1 0 387.524 3.729 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000249394721 851835078 /nfs/dbraw/zinc/83/50/78/851835078.db2.gz SNTDCRNGDMUKFX-QUCCMNQESA-N 1 0 397.544 3.618 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473783486 851971658 /nfs/dbraw/zinc/97/16/58/851971658.db2.gz DAXWHYMBXDVHMY-YPGOJHLTSA-N 1 0 392.503 3.845 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438070659 851986051 /nfs/dbraw/zinc/98/60/51/851986051.db2.gz HWLAVFUCFWYTSW-JOCHJYFZSA-N 1 0 376.504 3.820 20 30 GHEDRO COc1ccc2cc(C[N@H+](C)[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000028748674 851997941 /nfs/dbraw/zinc/99/79/41/851997941.db2.gz HFYGOBQMUXRPIV-HSZRJFAPSA-N 1 0 385.467 3.957 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1c(F)cccc1Cl ZINC000481811103 862319976 /nfs/dbraw/zinc/31/99/76/862319976.db2.gz ZIZXKOAXDHEHCS-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000519573329 852125838 /nfs/dbraw/zinc/12/58/38/852125838.db2.gz YLGBYKMLIUVKNU-OYHNWAKOSA-N 1 0 375.472 3.554 20 30 GHEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000516119153 852166860 /nfs/dbraw/zinc/16/68/60/852166860.db2.gz LYJWWXXYYAZECP-GOSISDBHSA-N 1 0 383.565 3.738 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000329804163 862332441 /nfs/dbraw/zinc/33/24/41/862332441.db2.gz KBTQIDTWBFENOZ-MAUKXSAKSA-N 1 0 375.561 3.585 20 30 GHEDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000516208070 852288826 /nfs/dbraw/zinc/28/88/26/852288826.db2.gz BENRRZHGUHRLRS-IBGZPJMESA-N 1 0 389.547 3.920 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000505877546 852295360 /nfs/dbraw/zinc/29/53/60/852295360.db2.gz LPNGOKHKCJAZLZ-UHFFFAOYSA-N 1 0 391.515 3.656 20 30 GHEDRO COc1cc(CNC(NCc2cccs2)=[NH+]C(C)(C)C)cc(OC)c1OC ZINC000912507043 852312180 /nfs/dbraw/zinc/31/21/80/852312180.db2.gz SZMBLQQUOCFFEN-UHFFFAOYSA-N 1 0 391.537 3.808 20 30 GHEDRO COc1ccc(CNC(NC[C@@H]2COC3(CCCCC3)O2)=[NH+]C(C)(C)C)cc1 ZINC000912507883 852313321 /nfs/dbraw/zinc/31/33/21/852313321.db2.gz HERGBODEQYMWOQ-LJQANCHMSA-N 1 0 389.540 3.605 20 30 GHEDRO COc1ccc(CNC(NCCc2cn3cccc(C)c3n2)=[NH+]C(C)(C)C)cc1 ZINC000912508886 852313592 /nfs/dbraw/zinc/31/35/92/852313592.db2.gz SIFJCOPMZQKZJF-UHFFFAOYSA-N 1 0 393.535 3.728 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCC(C)CC1 ZINC000517786664 852427405 /nfs/dbraw/zinc/42/74/05/852427405.db2.gz CBAHVAISLUSODU-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000516337615 852436676 /nfs/dbraw/zinc/43/66/76/852436676.db2.gz SFDYNHKYKNQPFK-LRZVDXDASA-N 1 0 399.583 3.695 20 30 GHEDRO N#CCCN(C(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1)c1ccccc1 ZINC000517838871 852511693 /nfs/dbraw/zinc/51/16/93/852511693.db2.gz FOERTYODECVIRB-UHFFFAOYSA-N 1 0 391.515 3.984 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000329844576 862367480 /nfs/dbraw/zinc/36/74/80/862367480.db2.gz OJSZAMAEBNPXPN-HMWDHGCWSA-N 1 0 399.579 3.684 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000517892182 852584886 /nfs/dbraw/zinc/58/48/86/852584886.db2.gz KMPNULBRLRBOCW-APWZRJJASA-N 1 0 392.459 3.575 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000489870862 852618904 /nfs/dbraw/zinc/61/89/04/852618904.db2.gz IOZHDBVXIVNCBW-OAHLLOKOSA-N 1 0 378.398 3.569 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000555996159 862378353 /nfs/dbraw/zinc/37/83/53/862378353.db2.gz FCFNAMJMEFFOCW-RBUKOAKNSA-N 1 0 385.552 3.538 20 30 GHEDRO CN1CC[C@@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000516515408 852669310 /nfs/dbraw/zinc/66/93/10/852669310.db2.gz QDMPLIDLBQLXLN-IFMALSPDSA-N 1 0 396.922 3.622 20 30 GHEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000490047710 852734640 /nfs/dbraw/zinc/73/46/40/852734640.db2.gz FNAFUGOYMBRFBC-INIZCTEOSA-N 1 0 377.897 3.921 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490050222 852735585 /nfs/dbraw/zinc/73/55/85/852735585.db2.gz YEGGSOGFFZMPRV-GOSISDBHSA-N 1 0 392.503 3.935 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C[NH+]1CCCC1 ZINC000518032750 852757159 /nfs/dbraw/zinc/75/71/59/852757159.db2.gz WIIUANOFCYCVCJ-MRXNPFEDSA-N 1 0 381.451 3.951 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000505980394 852798288 /nfs/dbraw/zinc/79/82/88/852798288.db2.gz BBFSRRFTFNZGQA-RTBURBONSA-N 1 0 387.405 3.664 20 30 GHEDRO N#Cc1cscc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516629707 852823562 /nfs/dbraw/zinc/82/35/62/852823562.db2.gz CVIJJLYJKDYZCK-KRWDZBQOSA-N 1 0 377.473 3.516 20 30 GHEDRO Cc1c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cccc1C(=O)N1CCSCC1 ZINC000329885235 862397595 /nfs/dbraw/zinc/39/75/95/862397595.db2.gz UHRQZOVEQZNKBW-GASCZTMLSA-N 1 0 375.538 3.645 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)NC1CCC2(CCCCC2)CC1 ZINC000329888319 862398772 /nfs/dbraw/zinc/39/87/72/862398772.db2.gz YSXCXPGMSQENOE-WOJBJXKFSA-N 1 0 377.573 3.761 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)CC1 ZINC000518136552 852881113 /nfs/dbraw/zinc/88/11/13/852881113.db2.gz LAUFOTRLKNNARW-UHFFFAOYSA-N 1 0 392.547 3.830 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)([NH+](C)C)C1 ZINC000429596016 852914933 /nfs/dbraw/zinc/91/49/33/852914933.db2.gz VZTJZWDQVRQOBV-WZONZLPQSA-N 1 0 393.535 3.704 20 30 GHEDRO CC(C)C(=O)N1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047701751 862415378 /nfs/dbraw/zinc/41/53/78/862415378.db2.gz IVMMZDBUERLNNH-UHFFFAOYSA-N 1 0 391.515 3.874 20 30 GHEDRO COc1ccc2occ(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000507527567 853012782 /nfs/dbraw/zinc/01/27/82/853012782.db2.gz HLPUUMYKVXITIY-UHFFFAOYSA-N 1 0 377.444 3.517 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C1CC1 ZINC000518230460 853089444 /nfs/dbraw/zinc/08/94/44/853089444.db2.gz DPLBFUDGGMAKBD-QFIPXVFZSA-N 1 0 391.490 3.756 20 30 GHEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N[C@@H]1CCCc2occc21 ZINC000329926513 862429605 /nfs/dbraw/zinc/42/96/05/862429605.db2.gz WFUAPPPUAZUTAG-ZBCRRDGASA-N 1 0 385.430 3.966 20 30 GHEDRO N#Cc1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)ccc1OCC(F)(F)F ZINC000516909884 853131938 /nfs/dbraw/zinc/13/19/38/853131938.db2.gz YJLPUJSCKQSOJZ-UHFFFAOYSA-N 1 0 396.413 3.638 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000437540964 853244293 /nfs/dbraw/zinc/24/42/93/853244293.db2.gz WHQUCJSAGYEKOR-QGZVFWFLSA-N 1 0 383.521 3.554 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCCOC(C)C)c1C#N ZINC000518352632 853256526 /nfs/dbraw/zinc/25/65/26/853256526.db2.gz DWKULAVGVIYGHL-UHFFFAOYSA-N 1 0 396.535 3.710 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000490844787 853306856 /nfs/dbraw/zinc/30/68/56/853306856.db2.gz COONCTLQVGYDRD-UHFFFAOYSA-N 1 0 387.487 3.678 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)([NH+](C)C)C1 ZINC000329954479 862452842 /nfs/dbraw/zinc/45/28/42/862452842.db2.gz OLBNUWJOCBCYTI-KUDFPVQQSA-N 1 0 389.544 3.551 20 30 GHEDRO CC[N@H+](CCNC(=O)c1c(F)cc(C(F)(F)F)cc1F)CCC(F)(F)F ZINC000519736282 853429068 /nfs/dbraw/zinc/42/90/68/853429068.db2.gz SXHWWLQAMFFVAE-UHFFFAOYSA-N 1 0 392.290 3.988 20 30 GHEDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000249540979 853435585 /nfs/dbraw/zinc/43/55/85/853435585.db2.gz DXCQMIBWRQZHFI-YCRPNKLZSA-N 1 0 389.565 3.558 20 30 GHEDRO COc1cc(CN2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000506113249 853451455 /nfs/dbraw/zinc/45/14/55/853451455.db2.gz QQXCOXFJASSPOD-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO [NH3+]CC[C@@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)F ZINC000414991306 853488250 /nfs/dbraw/zinc/48/82/50/853488250.db2.gz PECNZJDJHFUDDV-PWSUYJOCSA-N 1 0 380.279 3.631 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000517232526 853540440 /nfs/dbraw/zinc/54/04/40/853540440.db2.gz BEJPUOGCKPPJLE-IBGZPJMESA-N 1 0 395.478 3.624 20 30 GHEDRO Cn1ccnc1C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000586790361 853550331 /nfs/dbraw/zinc/55/03/31/853550331.db2.gz YNAOSDUTXPOCFG-QHCPKHFHSA-N 1 0 385.515 3.834 20 30 GHEDRO O=C(C[N@@H+]1CCC2(C1)CCCCC2)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329984890 862479896 /nfs/dbraw/zinc/47/98/96/862479896.db2.gz QRPNLEGZQVCCPK-UHFFFAOYSA-N 1 0 398.486 3.923 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccccc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000055012606 853629024 /nfs/dbraw/zinc/62/90/24/853629024.db2.gz KRBGAOBBEIBMRA-UHFFFAOYSA-O 1 0 385.553 3.755 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000416049257 853685196 /nfs/dbraw/zinc/68/51/96/853685196.db2.gz QXYYWHLIZDIENX-VHSXEESVSA-N 1 0 395.706 3.661 20 30 GHEDRO O=C(CC1CCCC1)NC1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000330002513 862496768 /nfs/dbraw/zinc/49/67/68/862496768.db2.gz YXBJJVVVQNFYPA-UHFFFAOYSA-N 1 0 390.572 3.919 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c(O)c(OC)c1 ZINC000164193898 853791379 /nfs/dbraw/zinc/79/13/79/853791379.db2.gz DGNNUNOWUQBRJN-UHFFFAOYSA-N 1 0 395.503 3.683 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2nc(C#N)cs2)c1 ZINC000571211660 853827319 /nfs/dbraw/zinc/82/73/19/853827319.db2.gz KZBDVYVNMQAJKC-CYBMUJFWSA-N 1 0 387.484 3.579 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc(OC)c1O ZINC000604766620 862504868 /nfs/dbraw/zinc/50/48/68/862504868.db2.gz YADNDAYFZYGDBE-FXAWDEMLSA-N 1 0 395.421 3.753 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000520132013 853865061 /nfs/dbraw/zinc/86/50/61/853865061.db2.gz CJEQYYBBJODPMB-LAUBAEHRSA-N 1 0 388.512 3.803 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C[NH+]1CCCC1 ZINC000055540811 854003950 /nfs/dbraw/zinc/00/39/50/854003950.db2.gz KAWFGAPOUZBQDA-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000055553718 854010561 /nfs/dbraw/zinc/01/05/61/854010561.db2.gz LPBRARZFKOBPPA-QGZVFWFLSA-N 1 0 381.476 3.685 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000157457806 854117587 /nfs/dbraw/zinc/11/75/87/854117587.db2.gz DKYFOAOACANSQS-XLIONFOSSA-N 1 0 382.508 3.826 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)CC1 ZINC000122649446 854223488 /nfs/dbraw/zinc/22/34/88/854223488.db2.gz YRSWQNDTXDPIQD-SFHVURJKSA-N 1 0 390.959 3.510 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588235892 854226800 /nfs/dbraw/zinc/22/68/00/854226800.db2.gz SOHHOVYESIZUDN-OXJNMPFZSA-N 1 0 391.475 3.836 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536265598 854240051 /nfs/dbraw/zinc/24/00/51/854240051.db2.gz UQNANWIAZGULJW-HJNYFJLDSA-N 1 0 377.488 3.523 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)nn1 ZINC000894964492 854281649 /nfs/dbraw/zinc/28/16/49/854281649.db2.gz SEEASVUOPUFEHC-GOSISDBHSA-N 1 0 379.464 3.862 20 30 GHEDRO C=C(Br)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000164818532 854309658 /nfs/dbraw/zinc/30/96/58/854309658.db2.gz VTTLPWYEZMOKAU-QZTJIDSGSA-N 1 0 392.341 3.591 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(CN3CCCCC3=O)c2)C[C@H]1C ZINC000330099510 862573900 /nfs/dbraw/zinc/57/39/00/862573900.db2.gz DCPVSBGCXAMZHM-XLIONFOSSA-N 1 0 386.540 3.549 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000328682364 854508006 /nfs/dbraw/zinc/50/80/06/854508006.db2.gz CYVOLKKLLRKLQT-CQSZACIVSA-N 1 0 387.505 3.964 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000328703496 854515543 /nfs/dbraw/zinc/51/55/43/854515543.db2.gz OGAFQRANLXMQEH-QGZVFWFLSA-N 1 0 376.508 3.677 20 30 GHEDRO O=C(N[C@H]1CCO[C@@H]1c1cncc(Br)c1)C1CC[NH+](C2CC2)CC1 ZINC000328716271 854519983 /nfs/dbraw/zinc/51/99/83/854519983.db2.gz DTXPVCKTDWZCPZ-DLBZAZTESA-N 1 0 394.313 3.505 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2coc(C3CCOCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000328767118 854533962 /nfs/dbraw/zinc/53/39/62/854533962.db2.gz BEVSTBSQJWIQPN-APWZRJJASA-N 1 0 383.492 3.926 20 30 GHEDRO CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000328771084 854535488 /nfs/dbraw/zinc/53/54/88/854535488.db2.gz AKISZXYFCHJWKX-QGZVFWFLSA-N 1 0 375.538 3.862 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000328796940 854560961 /nfs/dbraw/zinc/56/09/61/854560961.db2.gz VGZAHCLDTKUQRJ-HNNXBMFYSA-N 1 0 388.537 3.985 20 30 GHEDRO C[C@@H]1CN(Cc2csc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)n2)C[C@@H](C)O1 ZINC000328799863 854561958 /nfs/dbraw/zinc/56/19/58/854561958.db2.gz XZLUHGVYAAUOEU-ARFHVFGLSA-N 1 0 380.558 3.605 20 30 GHEDRO Cc1nc(-c2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)cc2)cc(=O)[nH]1 ZINC000328830577 854564970 /nfs/dbraw/zinc/56/49/70/854564970.db2.gz KNWTVIYRMQHPID-HNNXBMFYSA-N 1 0 397.523 3.994 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O2 ZINC000328841932 854571331 /nfs/dbraw/zinc/57/13/31/854571331.db2.gz PUWJWCMQMRROEB-AEFFLSMTSA-N 1 0 399.535 3.578 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000330108770 862580505 /nfs/dbraw/zinc/58/05/05/862580505.db2.gz OBSZTAYOIUYJQU-GUTXKFCHSA-N 1 0 383.414 3.640 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1-n1cccn1 ZINC000328855053 854578764 /nfs/dbraw/zinc/57/87/64/854578764.db2.gz JTPAHEIJOJADKW-HKUYNNGSSA-N 1 0 381.524 3.511 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)N3CCC[C@@H]3[C@H]3CCCO3)CC[N@@H+]2C2CC2)c1 ZINC000328863078 854584396 /nfs/dbraw/zinc/58/43/96/854584396.db2.gz FUBZUETYJFFIOV-GXRSIYKFSA-N 1 0 399.535 3.530 20 30 GHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000328938992 854609211 /nfs/dbraw/zinc/60/92/11/854609211.db2.gz KGAVZTMNXBCNCN-KZNAEPCWSA-N 1 0 385.533 3.748 20 30 GHEDRO CC(C)c1nnc([C@@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[nH]1 ZINC000328948815 854613466 /nfs/dbraw/zinc/61/34/66/854613466.db2.gz WHMVXCKXKCGHQI-KLAILNCOSA-N 1 0 376.549 3.536 20 30 GHEDRO CCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000328915089 854620686 /nfs/dbraw/zinc/62/06/86/854620686.db2.gz QQUPPOVZKJJZOK-IBGZPJMESA-N 1 0 389.565 3.687 20 30 GHEDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588979044 854624962 /nfs/dbraw/zinc/62/49/62/854624962.db2.gz WAPRVXGYADGQJF-HXUWFJFHSA-N 1 0 393.531 3.832 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000328980278 854639375 /nfs/dbraw/zinc/63/93/75/854639375.db2.gz RHSPBGAHBFDCBA-DLHOMVGQSA-N 1 0 384.879 3.708 20 30 GHEDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc(Br)c1OC ZINC000330466204 854673254 /nfs/dbraw/zinc/67/32/54/854673254.db2.gz HEBZYTSDOQVJDL-CHWSQXEVSA-N 1 0 399.329 3.891 20 30 GHEDRO C=CC(C)(C)CC[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000624036983 862599335 /nfs/dbraw/zinc/59/93/35/862599335.db2.gz GXBKGLOAUIUQAQ-IBGZPJMESA-N 1 0 377.960 3.770 20 30 GHEDRO COc1ccc([C@H]([NH2+]C2CCN(CC#N)CC2)C(C)C)c(Br)c1 ZINC000589338795 854797097 /nfs/dbraw/zinc/79/70/97/854797097.db2.gz FSQDHJIXDUWINI-GOSISDBHSA-N 1 0 380.330 3.732 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccc(C(F)(F)F)cc3)C1=O)CC2 ZINC000589342268 854798955 /nfs/dbraw/zinc/79/89/55/854798955.db2.gz FVUCZIUMRUMOIY-OALUTQOASA-N 1 0 385.389 3.959 20 30 GHEDRO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000482013912 862609867 /nfs/dbraw/zinc/60/98/67/862609867.db2.gz CVRLETMORGYCMO-GMAHTHKFSA-N 1 0 392.499 3.968 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000765811499 855020614 /nfs/dbraw/zinc/02/06/14/855020614.db2.gz YJAVVGZKKAJCBM-FGZHOGPDSA-N 1 0 384.907 3.514 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000067378566 855029676 /nfs/dbraw/zinc/02/96/76/855029676.db2.gz XWRMHCMHKPQCSQ-FQEVSTJZSA-N 1 0 387.524 3.654 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579372676 855069011 /nfs/dbraw/zinc/06/90/11/855069011.db2.gz QONPKWHUMDSTPM-FQEVSTJZSA-N 1 0 379.460 3.632 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)c(F)c1 ZINC000553540755 855095515 /nfs/dbraw/zinc/09/55/15/855095515.db2.gz IVERBATYHOZUNI-NRFANRHFSA-N 1 0 399.510 3.864 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)C(C)C ZINC000589757549 855142973 /nfs/dbraw/zinc/14/29/73/855142973.db2.gz HLROITQSCLFNNH-NHCUHLMSSA-N 1 0 389.515 3.607 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000054538057 855165560 /nfs/dbraw/zinc/16/55/60/855165560.db2.gz CVGFLZPCUFIBKO-GOSISDBHSA-N 1 0 382.464 3.897 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000106036578 855170725 /nfs/dbraw/zinc/17/07/25/855170725.db2.gz WBLHWZIUDZATEU-UHFFFAOYSA-N 1 0 377.282 3.966 20 30 GHEDRO Cc1noc(C2CCC([NH2+]C3CCC(Oc4ncccc4C#N)CC3)CC2)n1 ZINC000589948896 855202470 /nfs/dbraw/zinc/20/24/70/855202470.db2.gz GILSVCOZMHTFJN-UHFFFAOYSA-N 1 0 381.480 3.651 20 30 GHEDRO Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000330197073 862654558 /nfs/dbraw/zinc/65/45/58/862654558.db2.gz RHPPJTXAXIDRNO-ACRUOGEOSA-N 1 0 382.508 3.799 20 30 GHEDRO N#Cc1cc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)ccn1 ZINC000590019596 855235318 /nfs/dbraw/zinc/23/53/18/855235318.db2.gz CSWSEMHPUQHMFD-OFNKIYASSA-N 1 0 389.430 3.633 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)CC1 ZINC000057169789 855257153 /nfs/dbraw/zinc/25/71/53/855257153.db2.gz VYKXJNDGVWKKIU-UHFFFAOYSA-N 1 0 383.879 3.598 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCCCO1 ZINC000106867498 855308862 /nfs/dbraw/zinc/30/88/62/855308862.db2.gz GSAFDLSBVUVIGC-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000055389403 855313720 /nfs/dbraw/zinc/31/37/20/855313720.db2.gz SYHZEMOGSXUMSA-HDICACEKSA-N 1 0 395.503 3.828 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(-c4ccco4)n3)CC2)cc1 ZINC000055504349 855336853 /nfs/dbraw/zinc/33/68/53/855336853.db2.gz ZVIBJLXZKCXYBA-UHFFFAOYSA-N 1 0 378.501 3.983 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000536417596 855398686 /nfs/dbraw/zinc/39/86/86/855398686.db2.gz SOOYJHFURWEYOV-HNNXBMFYSA-N 1 0 385.895 3.969 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466603054 862688523 /nfs/dbraw/zinc/68/85/23/862688523.db2.gz WSJSXMCIVLVXDG-HKUYNNGSSA-N 1 0 393.491 3.721 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000520546474 855626715 /nfs/dbraw/zinc/62/67/15/855626715.db2.gz GNMFSYPVBOEXIT-HSZRJFAPSA-N 1 0 389.499 3.593 20 30 GHEDRO N#Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301351985 855676509 /nfs/dbraw/zinc/67/65/09/855676509.db2.gz MXFPNGGFWMMASR-SFHVURJKSA-N 1 0 377.404 3.857 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1OC ZINC000608168819 855717678 /nfs/dbraw/zinc/71/76/78/855717678.db2.gz MTJLLMJLWAUTOS-FQEVSTJZSA-N 1 0 380.488 3.607 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cn1 ZINC000591019581 855724129 /nfs/dbraw/zinc/72/41/29/855724129.db2.gz DFGBZKFBHXVFLO-AWEZNQCLSA-N 1 0 398.532 3.609 20 30 GHEDRO N#Cc1ccnc(N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000301687952 855739838 /nfs/dbraw/zinc/73/98/38/855739838.db2.gz XNJKJOTZQMSCHH-UHFFFAOYSA-N 1 0 391.475 3.887 20 30 GHEDRO Cc1cc(N(CC[NH+](C)C)Cc2ccccn2)n2c3ccccc3nc2c1C#N ZINC000301739976 855749216 /nfs/dbraw/zinc/74/92/16/855749216.db2.gz KBGYDUBXNMGIDU-UHFFFAOYSA-N 1 0 384.487 3.631 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)cc1 ZINC000056996952 855749573 /nfs/dbraw/zinc/74/95/73/855749573.db2.gz JFDOZKOTQAPSFI-UHFFFAOYSA-N 1 0 386.293 3.525 20 30 GHEDRO CC(C)c1noc([C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CCOCC2)n1 ZINC000330279529 862716420 /nfs/dbraw/zinc/71/64/20/862716420.db2.gz RFIUDCOUJQYCIG-NVXWUHKLSA-N 1 0 378.517 3.882 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)C1 ZINC000330284765 862722832 /nfs/dbraw/zinc/72/28/32/862722832.db2.gz XYZLYVZKLXFRHB-SYNHAJSKSA-N 1 0 383.467 3.988 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1snc(Cl)c1C#N ZINC000301958743 855786473 /nfs/dbraw/zinc/78/64/73/855786473.db2.gz OVNIGFHIEJWMMO-UHFFFAOYSA-N 1 0 399.745 3.999 20 30 GHEDRO CC(=O)c1ccc(C#N)cc1NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000302027873 855803381 /nfs/dbraw/zinc/80/33/81/855803381.db2.gz AQAHAGPGQDPBNF-IRXDYDNUSA-N 1 0 377.488 3.982 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(c3ccc(Br)cc3C#N)CC2)C[C@@H](C)O1 ZINC000302067051 855810948 /nfs/dbraw/zinc/81/09/48/855810948.db2.gz BBTVPHOBEMYRKV-HUUCEWRRSA-N 1 0 392.341 3.646 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2cc(C#N)ccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000302206536 855835408 /nfs/dbraw/zinc/83/54/08/855835408.db2.gz KOEAUKGOSXZDDE-INIZCTEOSA-N 1 0 380.448 3.778 20 30 GHEDRO N#Cc1cc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1C(F)(F)F ZINC000302210693 855840629 /nfs/dbraw/zinc/84/06/29/855840629.db2.gz YVXHRCRLHDMMIU-ZWKOTPCHSA-N 1 0 375.394 3.624 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441664465 855902023 /nfs/dbraw/zinc/90/20/23/855902023.db2.gz QIHVQQFVKZJKBJ-OWCLPIDISA-N 1 0 387.549 3.574 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441670667 855918522 /nfs/dbraw/zinc/91/85/22/855918522.db2.gz WGUIPVUSMLUUSZ-JKSUJKDBSA-N 1 0 387.549 3.576 20 30 GHEDRO C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415367 855967318 /nfs/dbraw/zinc/96/73/18/855967318.db2.gz UKAVFGKMUDMZMI-SFHVURJKSA-N 1 0 387.487 3.877 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccco1 ZINC000171230575 856046838 /nfs/dbraw/zinc/04/68/38/856046838.db2.gz PIQMSTOGCKZDBF-OAHLLOKOSA-N 1 0 392.406 3.957 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(CC#N)CC2)C[C@H]1C(F)(F)F ZINC001168562348 856053904 /nfs/dbraw/zinc/05/39/04/856053904.db2.gz YNLJDULWISFQMS-CABCVRRESA-N 1 0 375.435 3.942 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C2CC2)cc1 ZINC000171305214 856083562 /nfs/dbraw/zinc/08/35/62/856083562.db2.gz AWYNNPLROKTQTI-UHFFFAOYSA-N 1 0 388.515 3.681 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+](C)C)cc1 ZINC000171320986 856087660 /nfs/dbraw/zinc/08/76/60/856087660.db2.gz GCQLYDJOBHIBOD-QFIPXVFZSA-N 1 0 376.504 3.844 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCO[C@@H](c3ccc(OC)cc3)C1)C2 ZINC001168655611 856096518 /nfs/dbraw/zinc/09/65/18/856096518.db2.gz ZLKFHOBCLFUULY-KZKAQZJJSA-N 1 0 387.520 3.741 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482147087 862762565 /nfs/dbraw/zinc/76/25/65/862762565.db2.gz XOGFHUUFASJPIU-HXUWFJFHSA-N 1 0 398.576 3.921 20 30 GHEDRO Cc1ccc(NC(=O)CC[NH2+]C2CCC(Oc3ccccc3C#N)CC2)nc1 ZINC000591737527 856236226 /nfs/dbraw/zinc/23/62/26/856236226.db2.gz MDOXNNJCMJJVSP-UHFFFAOYSA-N 1 0 378.476 3.570 20 30 GHEDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1c(F)cccc1Cl ZINC000591744522 856238315 /nfs/dbraw/zinc/23/83/15/856238315.db2.gz FYRHBKFCYFUPMA-MRXNPFEDSA-N 1 0 390.886 3.852 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000905618182 856440499 /nfs/dbraw/zinc/44/04/99/856440499.db2.gz WGAAEGUUBKGDSC-QGZVFWFLSA-N 1 0 384.430 3.670 20 30 GHEDRO N#C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(Br)cc1 ZINC000499383213 856452786 /nfs/dbraw/zinc/45/27/86/856452786.db2.gz NNFFKCNCHGREDX-SFHVURJKSA-N 1 0 395.260 3.689 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000198387397 856455924 /nfs/dbraw/zinc/45/59/24/856455924.db2.gz XTCRHWSENFNOPF-FQEVSTJZSA-N 1 0 379.460 3.741 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000157541137 856476806 /nfs/dbraw/zinc/47/68/06/856476806.db2.gz QBDLLTIFIPDLTN-REOHEROTSA-N 1 0 387.572 3.917 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172676799 856535051 /nfs/dbraw/zinc/53/50/51/856535051.db2.gz HHCUQRINDHIAFK-WIYYLYMNSA-N 1 0 397.544 3.540 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000573909095 856606466 /nfs/dbraw/zinc/60/64/66/856606466.db2.gz AYMUEODIVHVPBM-APWZRJJASA-N 1 0 393.512 3.967 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000592069172 856651643 /nfs/dbraw/zinc/65/16/43/856651643.db2.gz NRLBEYCHIRYZPA-UHFFFAOYSA-N 1 0 379.342 3.929 20 30 GHEDRO C[C@H](Nc1ccc(CCC#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905856102 856664554 /nfs/dbraw/zinc/66/45/54/856664554.db2.gz OJKGKTOFRJFRTF-IBGZPJMESA-N 1 0 390.531 3.724 20 30 GHEDRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151218 856679033 /nfs/dbraw/zinc/67/90/33/856679033.db2.gz KMXLJYRVXAJKSJ-HXUWFJFHSA-N 1 0 377.916 3.534 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592138858 856684182 /nfs/dbraw/zinc/68/41/82/856684182.db2.gz BGIBTJCGXWSXEP-IBGZPJMESA-N 1 0 383.517 3.612 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139527 856690105 /nfs/dbraw/zinc/69/01/05/856690105.db2.gz LNOISRMKZAIYNH-NRFANRHFSA-N 1 0 397.906 3.813 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000485552346 856740870 /nfs/dbraw/zinc/74/08/70/856740870.db2.gz PXZSMCVDQWPKLD-UNWVZKJWSA-N 1 0 394.563 3.640 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](CO)C2CCCCC2)c1C#N ZINC000542911052 856762583 /nfs/dbraw/zinc/76/25/83/856762583.db2.gz TUSZSUBHFXDGQI-FQEVSTJZSA-N 1 0 386.540 3.561 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000592297452 856770491 /nfs/dbraw/zinc/77/04/91/856770491.db2.gz QDVSNSGFTWTNAP-AEFFLSMTSA-N 1 0 381.442 3.901 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ncc(C#N)cc2Cl)[NH+]2CCCCC2)cc1 ZINC000427912669 856871501 /nfs/dbraw/zinc/87/15/01/856871501.db2.gz CBIKAUDPZCDXAL-IBGZPJMESA-N 1 0 398.894 3.572 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[NH+](C3CCC3)CC2)c1=S ZINC000733298568 862845237 /nfs/dbraw/zinc/84/52/37/862845237.db2.gz WFQQKOBPNFYYFQ-UHFFFAOYSA-N 1 0 387.528 3.534 20 30 GHEDRO C[N@H+](CCCOc1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000733309988 862851636 /nfs/dbraw/zinc/85/16/36/862851636.db2.gz FTQZDOMAWKYKKP-UHFFFAOYSA-N 1 0 377.488 3.564 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000245549470 856949352 /nfs/dbraw/zinc/94/93/52/856949352.db2.gz ZFKWZEMWUUEDFU-BKAOJLMESA-N 1 0 390.531 3.753 20 30 GHEDRO C=CCC1([NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCOCC1 ZINC000668552482 857112096 /nfs/dbraw/zinc/11/20/96/857112096.db2.gz MZLOQPHVUTZQQJ-ZWKOTPCHSA-N 1 0 382.504 3.699 20 30 GHEDRO CCCOc1ccc(-c2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1C#N ZINC000592987519 857176295 /nfs/dbraw/zinc/17/62/95/857176295.db2.gz VVMAPBSMIPDHOO-UHFFFAOYSA-N 1 0 379.504 3.640 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000281195538 862885656 /nfs/dbraw/zinc/88/56/56/862885656.db2.gz CCZDGOITAVUMQH-UHFFFAOYSA-N 1 0 383.521 3.555 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC000888412787 857190651 /nfs/dbraw/zinc/19/06/51/857190651.db2.gz VDLWBEJPERCXBM-QWHCGFSZSA-N 1 0 381.933 3.786 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000112715720 857190772 /nfs/dbraw/zinc/19/07/72/857190772.db2.gz QGEREZVYCPLKPG-UHFFFAOYSA-N 1 0 376.504 3.934 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000245976605 857209086 /nfs/dbraw/zinc/20/90/86/857209086.db2.gz GHEKWPJBCFSYNE-VGOFRKELSA-N 1 0 376.504 3.707 20 30 GHEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3ccc(C#N)o3)cc2)cc1 ZINC000174313141 857255198 /nfs/dbraw/zinc/25/51/98/857255198.db2.gz FUGRDMFMWMSVOQ-UHFFFAOYSA-N 1 0 389.455 3.810 20 30 GHEDRO CCn1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000593884249 862891061 /nfs/dbraw/zinc/89/10/61/862891061.db2.gz VTMIYWLNRJKKHE-UHFFFAOYSA-N 1 0 386.499 3.927 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000246259015 857327398 /nfs/dbraw/zinc/32/73/98/857327398.db2.gz JHPRPKQCFGPZIC-MSOLQXFVSA-N 1 0 397.544 3.513 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)ccc1Cl ZINC000550453025 857342151 /nfs/dbraw/zinc/34/21/51/857342151.db2.gz LJHBALWJOHWNFD-FQEVSTJZSA-N 1 0 391.943 3.672 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000592401568 857375416 /nfs/dbraw/zinc/37/54/16/857375416.db2.gz YSHWCJZOWTUROJ-KDOFPFPSSA-N 1 0 389.421 3.833 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174947860 857411250 /nfs/dbraw/zinc/41/12/50/857411250.db2.gz BNJQOZGESWOOSB-LJQANCHMSA-N 1 0 382.533 3.545 20 30 GHEDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3ccc(C#N)cc3)n2)ccc1O ZINC000113360674 857442134 /nfs/dbraw/zinc/44/21/34/857442134.db2.gz VJDCGXJPDQXSEQ-UHFFFAOYSA-N 1 0 392.459 3.825 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466628711 862919166 /nfs/dbraw/zinc/91/91/66/862919166.db2.gz RKULXCFGZPSYSE-CALCHBBNSA-N 1 0 387.528 3.642 20 30 GHEDRO C[C@H](NC(=O)Nc1nc(Cl)c(C#N)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000888417898 857519061 /nfs/dbraw/zinc/51/90/61/857519061.db2.gz RMOZOALBDPJZOT-JSGCOSHPSA-N 1 0 389.912 3.700 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000181550133 862920575 /nfs/dbraw/zinc/92/05/75/862920575.db2.gz WVXCWFYQLGEVNB-UHFFFAOYSA-N 1 0 377.492 3.918 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000521056675 857550475 /nfs/dbraw/zinc/55/04/75/857550475.db2.gz YBMJSHBYYXBXLA-UHFFFAOYSA-N 1 0 395.522 3.943 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)c1ccccc1C ZINC000521074907 857583202 /nfs/dbraw/zinc/58/32/02/857583202.db2.gz GXAKYNHPWIWZLN-UHFFFAOYSA-N 1 0 396.535 3.785 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521078505 857588385 /nfs/dbraw/zinc/58/83/85/857588385.db2.gz KWCBJFVDYBREDH-KZNAEPCWSA-N 1 0 388.512 3.659 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000593527567 857596335 /nfs/dbraw/zinc/59/63/35/857596335.db2.gz JDMUGAWGLVAUFV-OAQYLSRUSA-N 1 0 397.544 3.603 20 30 GHEDRO N#Cc1nnc2ccccc2c1Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000521123803 857620989 /nfs/dbraw/zinc/62/09/89/857620989.db2.gz FIFZDFPMVMVWIM-UHFFFAOYSA-N 1 0 375.501 3.836 20 30 GHEDRO N#CC1(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000593778413 857721744 /nfs/dbraw/zinc/72/17/44/857721744.db2.gz QUVGDDCHGWLJGX-LJQANCHMSA-N 1 0 379.426 3.641 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](CC(C)C)C1CCCC1 ZINC000521195826 857739316 /nfs/dbraw/zinc/73/93/16/857739316.db2.gz WCZKHDFDOITQAB-UHFFFAOYSA-N 1 0 388.556 3.852 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466007490 857747970 /nfs/dbraw/zinc/74/79/70/857747970.db2.gz SULLYAPSFOIYCH-UHFFFAOYSA-N 1 0 392.503 3.566 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000593973705 857837125 /nfs/dbraw/zinc/83/71/25/857837125.db2.gz UZILAIFLUOMXEJ-SFHVURJKSA-N 1 0 393.556 3.967 20 30 GHEDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C(C)C ZINC000058967182 857840827 /nfs/dbraw/zinc/84/08/27/857840827.db2.gz NHEINTNFZBJWQY-UHFFFAOYSA-N 1 0 393.531 3.959 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)c1ccccc1 ZINC000676456995 857897987 /nfs/dbraw/zinc/89/79/87/857897987.db2.gz MKHNNEMTNHJZPZ-IBGZPJMESA-N 1 0 395.503 3.519 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000521406094 857944023 /nfs/dbraw/zinc/94/40/23/857944023.db2.gz IANKJKRFHSOWEH-ZWKOTPCHSA-N 1 0 376.460 3.732 20 30 GHEDRO C=CCN1CC[C@@H]([NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)C1=O ZINC000499639014 857957414 /nfs/dbraw/zinc/95/74/14/857957414.db2.gz ZXRXDMOCJHQGRR-QGZVFWFLSA-N 1 0 382.426 3.583 20 30 GHEDRO C=CCN1C(=O)N(CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000761049939 858003774 /nfs/dbraw/zinc/00/37/74/858003774.db2.gz JPGJTMDAVZRLNA-RZUBCFFCSA-N 1 0 397.563 3.806 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000521471192 858026967 /nfs/dbraw/zinc/02/69/67/858026967.db2.gz PPDXEPFPNWZTTL-SFHVURJKSA-N 1 0 381.495 3.970 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000594364636 858094556 /nfs/dbraw/zinc/09/45/56/858094556.db2.gz BZMMEYOCFXYLSE-KKSFZXQISA-N 1 0 381.545 3.878 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000521581448 858141980 /nfs/dbraw/zinc/14/19/80/858141980.db2.gz GJLNEDVRQPWPCF-UHFFFAOYSA-N 1 0 385.533 3.897 20 30 GHEDRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440156 858178054 /nfs/dbraw/zinc/17/80/54/858178054.db2.gz VDFHPBHRLVMQSM-JKSUJKDBSA-N 1 0 394.313 3.532 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000594428001 858185085 /nfs/dbraw/zinc/18/50/85/858185085.db2.gz KIJLEKOEBGHGLJ-UZLBHIALSA-N 1 0 393.491 3.919 20 30 GHEDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000442884118 858205213 /nfs/dbraw/zinc/20/52/13/858205213.db2.gz GFDIPWAPRCFXPY-HXUWFJFHSA-N 1 0 375.538 3.718 20 30 GHEDRO CCn1c(Br)c(Br)nc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000922160902 858212985 /nfs/dbraw/zinc/21/29/85/858212985.db2.gz NFZWFDREBQMFAY-UWVGGRQHSA-N 1 0 390.123 3.600 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000010225311 858217318 /nfs/dbraw/zinc/21/73/18/858217318.db2.gz OCXZJRROIARRNM-LJQANCHMSA-N 1 0 375.472 3.659 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H](c3ccc(F)cc3)N3CCOCC3)cc2)CC1 ZINC000594925350 858306184 /nfs/dbraw/zinc/30/61/84/858306184.db2.gz WROUKPCBRGZLCH-JOCHJYFZSA-N 1 0 379.479 3.544 20 30 GHEDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000594960261 858345984 /nfs/dbraw/zinc/34/59/84/858345984.db2.gz INTNBVSBXJKPDI-CLHVYKLBSA-N 1 0 382.529 3.917 20 30 GHEDRO Cn1c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)nc2ccc(Cl)cc21 ZINC000594983215 858357916 /nfs/dbraw/zinc/35/79/16/858357916.db2.gz IAHLUWPOPNKTTI-UHFFFAOYSA-N 1 0 380.879 3.894 20 30 GHEDRO COc1ccccc1-c1cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)on1 ZINC000595006629 858363509 /nfs/dbraw/zinc/36/35/09/858363509.db2.gz MGFHNYDGWMAPTB-UHFFFAOYSA-N 1 0 388.471 3.980 20 30 GHEDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000595040830 858377467 /nfs/dbraw/zinc/37/74/67/858377467.db2.gz MPBZOLKOBJXSSI-MXWWQKGMSA-N 1 0 396.447 3.911 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000443100266 858378304 /nfs/dbraw/zinc/37/83/04/858378304.db2.gz WMRCQQCYRNZOSE-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3csc(-c4ccc(F)cc4)n3)CC2)nc1 ZINC000067011018 858395008 /nfs/dbraw/zinc/39/50/08/858395008.db2.gz COTUBFDQNYYFDS-UHFFFAOYSA-N 1 0 393.491 3.974 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000466136260 858426439 /nfs/dbraw/zinc/42/64/39/858426439.db2.gz XTVZXZXWOTXAEN-YPAWHYETSA-N 1 0 380.536 3.744 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595235136 858448217 /nfs/dbraw/zinc/44/82/17/858448217.db2.gz RCXLQHDHOCVWKF-FSSWDIPSSA-N 1 0 390.487 3.651 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595235137 858448384 /nfs/dbraw/zinc/44/83/84/858448384.db2.gz RCXLQHDHOCVWKF-VSKRKVRLSA-N 1 0 390.487 3.651 20 30 GHEDRO N#CCC[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000595267779 858458053 /nfs/dbraw/zinc/45/80/53/858458053.db2.gz AIGQSMFGISAQRA-ACRUOGEOSA-N 1 0 380.467 3.615 20 30 GHEDRO CC[N@@H+]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000595535884 858543485 /nfs/dbraw/zinc/54/34/85/858543485.db2.gz SCTLEBXQSJHLNG-INIZCTEOSA-N 1 0 388.581 3.633 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000522073300 858592904 /nfs/dbraw/zinc/59/29/04/858592904.db2.gz CXIQQZVKWURDTN-RBUKOAKNSA-N 1 0 376.504 3.723 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000595637359 858625697 /nfs/dbraw/zinc/62/56/97/858625697.db2.gz ZDGKXIMPTONUDY-KRWDZBQOSA-N 1 0 378.394 3.842 20 30 GHEDRO C=CC[C@@H]1CCCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000595658608 858640838 /nfs/dbraw/zinc/64/08/38/858640838.db2.gz GCBGNCBELYHIIM-UONOGXRCSA-N 1 0 389.521 3.819 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)c1 ZINC000115766829 858656035 /nfs/dbraw/zinc/65/60/35/858656035.db2.gz DYBNHAOGRZAWEM-WIYYLYMNSA-N 1 0 389.540 3.900 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@]4(CC4(F)F)C3)sc2C1 ZINC000593118847 858664118 /nfs/dbraw/zinc/66/41/18/858664118.db2.gz SOPJCBNTWMKCLG-XIKOKIGWSA-N 1 0 379.476 3.804 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595785760 858686761 /nfs/dbraw/zinc/68/67/61/858686761.db2.gz GKWMJDAOBTWWIN-FVOGYEMRSA-N 1 0 375.557 3.587 20 30 GHEDRO CCCN(C)CC(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000595873638 858722764 /nfs/dbraw/zinc/72/27/64/858722764.db2.gz OUIKFUDYRWTBDK-UHFFFAOYSA-N 1 0 376.570 3.537 20 30 GHEDRO COc1cc(OC)c(C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c(OC)c1 ZINC000733610248 863061578 /nfs/dbraw/zinc/06/15/78/863061578.db2.gz UAZSDUYBMGFGDC-UHFFFAOYSA-N 1 0 396.487 3.994 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)NCC1(C#N)CCCCC1)[NH+]1CCCC1 ZINC000596092074 858780971 /nfs/dbraw/zinc/78/09/71/858780971.db2.gz JNQHDWKPEFVYKJ-LJQANCHMSA-N 1 0 384.524 3.605 20 30 GHEDRO N#CCN1CCC([NH2+][C@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000596093312 858781679 /nfs/dbraw/zinc/78/16/79/858781679.db2.gz HMHDNNOSBVFKPI-INIZCTEOSA-N 1 0 380.355 3.954 20 30 GHEDRO C[C@H](Oc1ccc(C#N)c(Cl)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000596272707 858832225 /nfs/dbraw/zinc/83/22/25/858832225.db2.gz DRHDYNDLXHQZGD-INIZCTEOSA-N 1 0 397.906 3.760 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000328833074 858833387 /nfs/dbraw/zinc/83/33/87/858833387.db2.gz LOUKQMAWWHZDNQ-KURKYZTESA-N 1 0 399.457 3.602 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)[NH+]1CCC(C)CC1 ZINC000060156276 858908881 /nfs/dbraw/zinc/90/88/81/858908881.db2.gz HPHWFVWIVJVNMJ-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429279741 858911760 /nfs/dbraw/zinc/91/17/60/858911760.db2.gz VSMKCTPOQDFNOW-SCLBCKFNSA-N 1 0 392.341 3.670 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120214835 881361941 /nfs/dbraw/zinc/36/19/41/881361941.db2.gz XGPRTZBKCGRMPU-VXKWHMMOSA-N 1 0 396.579 3.766 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000482868878 858939533 /nfs/dbraw/zinc/93/95/33/858939533.db2.gz RKNRSSNAYUCFRW-UHFFFAOYSA-N 1 0 390.487 3.941 20 30 GHEDRO COc1cc(C)cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593198401 858940497 /nfs/dbraw/zinc/94/04/97/858940497.db2.gz KWNHQKCQZIIYCM-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO N#Cc1ccc(CSCC(=O)Nc2ccccc2CN2CCSCC2)cc1 ZINC000060220338 858955799 /nfs/dbraw/zinc/95/57/99/858955799.db2.gz DNWOHUWYVGRARQ-UHFFFAOYSA-N 1 0 397.569 3.979 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000522289402 858962262 /nfs/dbraw/zinc/96/22/62/858962262.db2.gz CHBHLQJYRZIYCL-NRFANRHFSA-N 1 0 392.478 3.646 20 30 GHEDRO COc1cc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000429299368 858972500 /nfs/dbraw/zinc/97/25/00/858972500.db2.gz YFTHLWBVDOWITR-IAGOWNOFSA-N 1 0 380.488 3.880 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000509293295 858978061 /nfs/dbraw/zinc/97/80/61/858978061.db2.gz HQCUSJTUULOLIR-JOCHJYFZSA-N 1 0 398.551 3.622 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482929887 858987561 /nfs/dbraw/zinc/98/75/61/858987561.db2.gz PNHSVOQHVVHUCK-QHCPKHFHSA-N 1 0 395.543 3.533 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596736482 859034642 /nfs/dbraw/zinc/03/46/42/859034642.db2.gz WXDNIYCZDMVTAZ-IRXDYDNUSA-N 1 0 390.553 3.655 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)CC3(C#N)CCCCC3)CC2)c1 ZINC000596787668 859075855 /nfs/dbraw/zinc/07/58/55/859075855.db2.gz GRWVIMJSIIQLHE-UHFFFAOYSA-N 1 0 396.579 3.878 20 30 GHEDRO CCCc1c(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cnn1-c1cccc(C#N)c1 ZINC000596852236 859096591 /nfs/dbraw/zinc/09/65/91/859096591.db2.gz FOROPXLZWHVLHC-SFHVURJKSA-N 1 0 394.523 3.691 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC(CC#N)C2)cc1)C[C@@H]1CCCCO1 ZINC000596820098 859105907 /nfs/dbraw/zinc/10/59/07/859105907.db2.gz MMAGIFSESCIAPM-NRFANRHFSA-N 1 0 384.524 3.843 20 30 GHEDRO N#CC1(C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)CCCCC1 ZINC000923185093 859106380 /nfs/dbraw/zinc/10/63/80/859106380.db2.gz ZKTWRHJXDHHIFB-NRFANRHFSA-N 1 0 395.547 3.790 20 30 GHEDRO COc1ccc(OC)c(C(=O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170355549 881397915 /nfs/dbraw/zinc/39/79/15/881397915.db2.gz JSNNIOISAJMEHD-UHFFFAOYSA-N 1 0 378.472 3.880 20 30 GHEDRO Cc1nc(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)sc1SCC#N ZINC000597047869 859263345 /nfs/dbraw/zinc/26/33/45/859263345.db2.gz VKYHNOKWVIVUTG-MRXNPFEDSA-N 1 0 386.546 3.885 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000117005751 859264860 /nfs/dbraw/zinc/26/48/60/859264860.db2.gz IXFWOENVSZKUKW-UHFFFAOYSA-N 1 0 392.503 3.909 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000499721753 859293194 /nfs/dbraw/zinc/29/31/94/859293194.db2.gz KIWVAIIDNSDLJP-IBGZPJMESA-N 1 0 378.476 3.740 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000429437955 859372451 /nfs/dbraw/zinc/37/24/51/859372451.db2.gz QGGPXCCDLDWVPN-UKRRQHHQSA-N 1 0 391.284 3.962 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593315436 859386279 /nfs/dbraw/zinc/38/62/79/859386279.db2.gz GNDMNFUWXALVCY-IERDGZPVSA-N 1 0 392.503 3.738 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CCc4cc(F)ccc43)CC2)c1 ZINC000593317008 859394647 /nfs/dbraw/zinc/39/46/47/859394647.db2.gz NUZXCMAJEOYRJG-JOCHJYFZSA-N 1 0 392.478 3.648 20 30 GHEDRO N#Cc1ccc(CN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000543364008 859400198 /nfs/dbraw/zinc/40/01/98/859400198.db2.gz YXCLXOODPKTCBM-QFIPXVFZSA-N 1 0 388.515 3.897 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000429457320 859416209 /nfs/dbraw/zinc/41/62/09/859416209.db2.gz RXROLMYMJGLVGG-XJKSGUPXSA-N 1 0 391.284 3.962 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000764390605 859422642 /nfs/dbraw/zinc/42/26/42/859422642.db2.gz WWLHEXSPJLWMOT-SFHVURJKSA-N 1 0 391.284 3.912 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 ZINC000601745097 859519787 /nfs/dbraw/zinc/51/97/87/859519787.db2.gz QWTLQNLHTYVPFN-UHFFFAOYSA-N 1 0 399.535 3.593 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC2CC2)cc1 ZINC000597421098 859522597 /nfs/dbraw/zinc/52/25/97/859522597.db2.gz FGJYIOTUSGZCGL-HXUWFJFHSA-N 1 0 390.535 3.539 20 30 GHEDRO COc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1Cl ZINC000593351679 859530568 /nfs/dbraw/zinc/53/05/68/859530568.db2.gz QGPQFFFAJHFLCN-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO CN1CCc2[nH]c3ccc(C(=O)N4CC=C(c5ccc(C#N)cc5)CC4)cc3c2C1 ZINC000597459068 859548159 /nfs/dbraw/zinc/54/81/59/859548159.db2.gz IEQIWRUQKSNJPM-UHFFFAOYSA-N 1 0 396.494 3.957 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCOCc3ccccc3)CC2)c1 ZINC000593355258 859559114 /nfs/dbraw/zinc/55/91/14/859559114.db2.gz NJPDWYBTMMKLDT-UHFFFAOYSA-N 1 0 391.515 3.636 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3cc(F)c(C#N)c(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000597474511 859562138 /nfs/dbraw/zinc/56/21/38/859562138.db2.gz CBJCGTMJPQNJTK-SFTDATJTSA-N 1 0 397.425 3.553 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)c1 ZINC000593356815 859575325 /nfs/dbraw/zinc/57/53/25/859575325.db2.gz SNHFOFLZSRFLQX-JAXLGGSGSA-N 1 0 380.536 3.791 20 30 GHEDRO C[C@H](CC#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000597469579 859577403 /nfs/dbraw/zinc/57/74/03/859577403.db2.gz XKXYXCQCSQREGZ-LJQANCHMSA-N 1 0 376.504 3.540 20 30 GHEDRO CN(C(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000474232311 859654737 /nfs/dbraw/zinc/65/47/37/859654737.db2.gz OGBVGNIFQJXYON-UHFFFAOYSA-N 1 0 389.499 3.727 20 30 GHEDRO C[C@H]1[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC(=O)N1Cc1ccccc1 ZINC000466478249 859665448 /nfs/dbraw/zinc/66/54/48/859665448.db2.gz YFMJSTXDXLISLM-AVRDEDQJSA-N 1 0 377.488 3.648 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC000552065915 859686486 /nfs/dbraw/zinc/68/64/86/859686486.db2.gz SIDDEWBDRSKNBN-UHFFFAOYSA-N 1 0 388.531 3.539 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1Cl ZINC000611350219 859713668 /nfs/dbraw/zinc/71/36/68/859713668.db2.gz FNXSCUFNGFUVFC-HOTGVXAUSA-N 1 0 375.900 3.679 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@H]([NH+]3CCCCC3)C2)nc1-c1cccs1 ZINC000764990275 859720625 /nfs/dbraw/zinc/72/06/25/859720625.db2.gz PDEHWHKNDVDLQO-INIZCTEOSA-N 1 0 389.594 3.846 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000611387423 859731689 /nfs/dbraw/zinc/73/16/89/859731689.db2.gz NSAUJJIOEYXWIS-ZIAGYGMSSA-N 1 0 386.293 3.849 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1cccc(C#N)c1 ZINC000611387018 859731989 /nfs/dbraw/zinc/73/19/89/859731989.db2.gz YLALMJLVMDHJOX-CABCVRRESA-N 1 0 378.501 3.866 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000611391226 859741398 /nfs/dbraw/zinc/74/13/98/859741398.db2.gz FQAIRQMKJSSJEH-FCHUYYIVSA-N 1 0 375.472 3.843 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000611391206 859741573 /nfs/dbraw/zinc/74/15/73/859741573.db2.gz BIQYISWFVHZLBT-XLIONFOSSA-N 1 0 390.405 3.984 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4ccc(F)cc4F)C3)CC2)cc1 ZINC000611438455 859760512 /nfs/dbraw/zinc/76/05/12/859760512.db2.gz OYPCXBLIPYVYDT-OAQYLSRUSA-N 1 0 396.485 3.669 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)n2c1 ZINC000611464437 859765597 /nfs/dbraw/zinc/76/55/97/859765597.db2.gz XSJWPTRPGFWHSC-MRXNPFEDSA-N 1 0 385.393 3.593 20 30 GHEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000543455093 859768326 /nfs/dbraw/zinc/76/83/26/859768326.db2.gz QOQMMTSQBSTGCB-IBGZPJMESA-N 1 0 380.517 3.586 20 30 GHEDRO N#Cc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)c(Cl)c1 ZINC000439433259 859775795 /nfs/dbraw/zinc/77/57/95/859775795.db2.gz ZBTHNJRJKWCVBU-UHFFFAOYSA-N 1 0 391.700 3.691 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N2Cc3cccc(C#N)c3C2)[NH+](C)C)cc1 ZINC000593407302 859776578 /nfs/dbraw/zinc/77/65/78/859776578.db2.gz LCKRZOVTSZPJIQ-FQEVSTJZSA-N 1 0 380.517 3.608 20 30 GHEDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000543462864 859782377 /nfs/dbraw/zinc/78/23/77/859782377.db2.gz DOUMWAIMZDZDPD-SCLBCKFNSA-N 1 0 391.899 3.640 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000484084077 859808943 /nfs/dbraw/zinc/80/89/43/859808943.db2.gz KAQXQXCRQPXCJE-UHFFFAOYSA-N 1 0 381.499 3.985 20 30 GHEDRO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000611552587 859809033 /nfs/dbraw/zinc/80/90/33/859809033.db2.gz DSKSZFYTAYFFBW-HSZRJFAPSA-N 1 0 381.495 3.657 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508908918 859866266 /nfs/dbraw/zinc/86/62/66/859866266.db2.gz WRNDFFYCMOWVLM-LPHOPBHVSA-N 1 0 387.503 3.520 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000597860073 859876717 /nfs/dbraw/zinc/87/67/17/859876717.db2.gz LBBXQJYKRGHDFB-FQEVSTJZSA-N 1 0 391.515 3.987 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCCC1 ZINC001127842811 859881903 /nfs/dbraw/zinc/88/19/03/859881903.db2.gz IVAJTCWZCVQPPZ-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593504475 860030416 /nfs/dbraw/zinc/03/04/16/860030416.db2.gz NUDMNQJUGZTRMC-UHFFFAOYSA-N 1 0 386.293 3.872 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000598063027 860036989 /nfs/dbraw/zinc/03/69/89/860036989.db2.gz ZWTSTLFITGNDDN-UHFFFAOYSA-N 1 0 376.504 3.525 20 30 GHEDRO CCC[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC000499867146 860037313 /nfs/dbraw/zinc/03/73/13/860037313.db2.gz OUXCVDRKWLSGOK-MRXNPFEDSA-N 1 0 398.429 3.542 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000602543530 860088137 /nfs/dbraw/zinc/08/81/37/860088137.db2.gz CNSZMGMJRCDDOL-OAHLLOKOSA-N 1 0 376.298 3.629 20 30 GHEDRO C[C@H]1CC[C@@]2(CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C2)C1 ZINC000593514415 860102191 /nfs/dbraw/zinc/10/21/91/860102191.db2.gz WVRJCPXAYCOTQJ-FDDCHVKYSA-N 1 0 380.536 3.744 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000598195768 860108532 /nfs/dbraw/zinc/10/85/32/860108532.db2.gz RRODRVXLRNRZGP-JOCHJYFZSA-N 1 0 393.556 3.567 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593516765 860117634 /nfs/dbraw/zinc/11/76/34/860117634.db2.gz FDYZYDRGKOFOIB-UHFFFAOYSA-N 1 0 392.503 3.985 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3csc(C#N)c3)C2)CC1 ZINC000895937202 860135335 /nfs/dbraw/zinc/13/53/35/860135335.db2.gz TXYPFUNOFPKKHB-MRXNPFEDSA-N 1 0 391.537 3.516 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCN2CC)cc1OCC ZINC000060817366 860145522 /nfs/dbraw/zinc/14/55/22/860145522.db2.gz WZGZWPYKPUWTAK-INIZCTEOSA-N 1 0 397.357 3.987 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000120299858 881505674 /nfs/dbraw/zinc/50/56/74/881505674.db2.gz FLZHUNBRZDZNDG-QGZVFWFLSA-N 1 0 382.483 3.659 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)o2)c1 ZINC000328642994 860202983 /nfs/dbraw/zinc/20/29/83/860202983.db2.gz FDFXGGLSHUCILO-GOSISDBHSA-N 1 0 388.475 3.521 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2Oc2cccc(C)c2)c(C#N)c1C ZINC000484644406 860215063 /nfs/dbraw/zinc/21/50/63/860215063.db2.gz DZTMSHQDXCRWJL-WOJBJXKFSA-N 1 0 381.476 3.995 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]Cc1ccc(C#N)cc1)CCO2 ZINC000921542209 860255784 /nfs/dbraw/zinc/25/57/84/860255784.db2.gz GIJFKKDBCDUQBM-IBGZPJMESA-N 1 0 385.508 3.597 20 30 GHEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000665433342 860304766 /nfs/dbraw/zinc/30/47/66/860304766.db2.gz DBONATXCIXSYRQ-HSZRJFAPSA-N 1 0 391.515 3.661 20 30 GHEDRO COc1ccc(CN(C(=O)CN[C@H](C)CC#N)[C@H](C)Cc2cccs2)cc1 ZINC000602860925 860318180 /nfs/dbraw/zinc/31/81/80/860318180.db2.gz DXWMNEPWJBVMGH-IAGOWNOFSA-N 1 0 385.533 3.608 20 30 GHEDRO CO[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001170399215 881533092 /nfs/dbraw/zinc/53/30/92/881533092.db2.gz ZXOYDFVMZSQJQJ-YTCBPCPPSA-N 1 0 399.535 3.614 20 30 GHEDRO Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cnn1-c1ccccc1 ZINC000765662572 860391015 /nfs/dbraw/zinc/39/10/15/860391015.db2.gz OQOWKUQGEUTMQS-QGZVFWFLSA-N 1 0 386.503 3.767 20 30 GHEDRO N#CCCCn1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000598558553 860394671 /nfs/dbraw/zinc/39/46/71/860394671.db2.gz QNKHPLRJYHUZKR-LJQANCHMSA-N 1 0 378.520 3.797 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552248772 860409842 /nfs/dbraw/zinc/40/98/42/860409842.db2.gz SLTFQZGKPXDKNA-QGZVFWFLSA-N 1 0 377.488 3.867 20 30 GHEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552281815 860415297 /nfs/dbraw/zinc/41/52/97/860415297.db2.gz KRJQZYFCECZIBU-QVKFZJNVSA-N 1 0 383.442 3.943 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000598596415 860438825 /nfs/dbraw/zinc/43/88/25/860438825.db2.gz PVEFHIAADJBWOF-RDJZCZTQSA-N 1 0 388.899 3.870 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000598623407 860451337 /nfs/dbraw/zinc/45/13/37/860451337.db2.gz ZGTGCRDSIQEODU-XPWALMASSA-N 1 0 395.522 3.684 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508995879 860476895 /nfs/dbraw/zinc/47/68/95/860476895.db2.gz DWPUNSVRRKJPMY-QYZOEREBSA-N 1 0 389.588 3.551 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000598646125 860479858 /nfs/dbraw/zinc/47/98/58/860479858.db2.gz LDRYHUWDXIHJJK-DYESRHJHSA-N 1 0 380.488 3.596 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000331260533 860572501 /nfs/dbraw/zinc/57/25/01/860572501.db2.gz AYBXRUJHJHZKTK-SWLSCSKDSA-N 1 0 384.402 3.793 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000624987766 860624572 /nfs/dbraw/zinc/62/45/72/860624572.db2.gz UXMPOJCVPARAEA-SFHLNBCPSA-N 1 0 395.551 3.805 20 30 GHEDRO CCOc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1OC ZINC000125341004 860641271 /nfs/dbraw/zinc/64/12/71/860641271.db2.gz QZLTURCGKAQICO-UHFFFAOYSA-N 1 0 396.491 3.561 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000896361859 860673145 /nfs/dbraw/zinc/67/31/45/860673145.db2.gz PEZURJHHJZQLHE-CEMLEFRQSA-N 1 0 377.488 3.677 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c(C(F)(F)F)c1 ZINC000598993962 860728887 /nfs/dbraw/zinc/72/88/87/860728887.db2.gz VCFLXULBLJUERN-UHFFFAOYSA-N 1 0 392.368 3.624 20 30 GHEDRO N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c2)cc1 ZINC000494355689 881586801 /nfs/dbraw/zinc/58/68/01/881586801.db2.gz HBXUGCOWUGDQQC-QFIPXVFZSA-N 1 0 375.472 3.897 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692792 860859993 /nfs/dbraw/zinc/85/99/93/860859993.db2.gz KFSZRBQDXIDDPV-NBGIEHNGSA-N 1 0 388.559 3.633 20 30 GHEDRO CCC(F)(F)C(C)(C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599180956 860914940 /nfs/dbraw/zinc/91/49/40/860914940.db2.gz RHYAMQGPZHXOJD-UHFFFAOYSA-N 1 0 392.494 3.847 20 30 GHEDRO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000131156182 860922221 /nfs/dbraw/zinc/92/22/21/860922221.db2.gz PPZHJPBQMFVVHV-UHFFFAOYSA-N 1 0 388.471 3.752 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000603645823 860949645 /nfs/dbraw/zinc/94/96/45/860949645.db2.gz LAWMJPKRHNEOQT-NRFANRHFSA-N 1 0 378.476 3.916 20 30 GHEDRO CCN(CC)C(=O)N1CCC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000329029911 860958159 /nfs/dbraw/zinc/95/81/59/860958159.db2.gz KZLYTOLAFQPEAD-UHFFFAOYSA-N 1 0 392.588 3.771 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000593718211 860972149 /nfs/dbraw/zinc/97/21/49/860972149.db2.gz BBZJQNWQMLPGSY-UHFFFAOYSA-N 1 0 394.494 3.799 20 30 GHEDRO COc1cc(OC)c(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000603662372 860996071 /nfs/dbraw/zinc/99/60/71/860996071.db2.gz VVNYFWLLTXDDEG-UHFFFAOYSA-N 1 0 396.487 3.842 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000603668497 860997161 /nfs/dbraw/zinc/99/71/61/860997161.db2.gz HQKZZEBIJZAVHO-UHFFFAOYSA-N 1 0 385.508 3.521 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000593719985 861000697 /nfs/dbraw/zinc/00/06/97/861000697.db2.gz DWUXUMZXHZTLIG-CBZJRKILSA-N 1 0 381.545 3.611 20 30 GHEDRO O=C(Nc1cccc(N2CCCC2=O)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329084378 861004557 /nfs/dbraw/zinc/00/45/57/861004557.db2.gz SWOKBAJYLFCBSD-UHFFFAOYSA-N 1 0 384.524 3.794 20 30 GHEDRO C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)CC[N@@H+]1C ZINC000329093296 861011279 /nfs/dbraw/zinc/01/12/79/861011279.db2.gz AMIMMWSGHOXCAP-RYUDHWBXSA-N 1 0 383.464 3.709 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CCOCC1 ZINC000599268168 861018181 /nfs/dbraw/zinc/01/81/81/861018181.db2.gz CISSWFPFEOCOLW-QZTJIDSGSA-N 1 0 393.325 3.657 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000603692825 861028957 /nfs/dbraw/zinc/02/89/57/861028957.db2.gz OJAURMCTCXMPIO-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000599312799 861031638 /nfs/dbraw/zinc/03/16/38/861031638.db2.gz TWQWOMCUSGXTKU-ZBFHGGJFSA-N 1 0 399.318 3.518 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1OC ZINC000623450996 861079580 /nfs/dbraw/zinc/07/95/80/861079580.db2.gz GRSUQHPXWZGDAL-UHFFFAOYSA-N 1 0 389.805 3.962 20 30 GHEDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1OC(F)F ZINC000599349420 861087191 /nfs/dbraw/zinc/08/71/91/861087191.db2.gz HVNAAIXCIZCDRQ-RDJZCZTQSA-N 1 0 376.403 3.640 20 30 GHEDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1OC ZINC000599349674 861087511 /nfs/dbraw/zinc/08/75/11/861087511.db2.gz QCOUGAIZLYEZSC-SFTDATJTSA-N 1 0 394.515 3.940 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(C)(C)C ZINC000599354429 861097901 /nfs/dbraw/zinc/09/79/01/861097901.db2.gz VOUJKTKFTFWDDI-UXHICEINSA-N 1 0 388.552 3.758 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000599362093 861129297 /nfs/dbraw/zinc/12/92/97/861129297.db2.gz MGQVIHFBTYFZRV-UYAOXDASSA-N 1 0 378.451 3.561 20 30 GHEDRO CC(C)C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@H]1CCCc2cccnc21 ZINC000599381016 861133352 /nfs/dbraw/zinc/13/33/52/861133352.db2.gz UQKARPQHSXKXJR-RTWAWAEBSA-N 1 0 379.504 3.729 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000599384901 861147949 /nfs/dbraw/zinc/14/79/49/861147949.db2.gz VKGOGGUBZDPDKH-MNEFBYGVSA-N 1 0 379.907 3.647 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)cc1OC ZINC000623526565 861158484 /nfs/dbraw/zinc/15/84/84/861158484.db2.gz HFNKUHJEXNNSER-JENIJYKNSA-N 1 0 392.927 3.650 20 30 GHEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000329234622 861180264 /nfs/dbraw/zinc/18/02/64/861180264.db2.gz HYTRAJQJLGIMSA-HOTGVXAUSA-N 1 0 392.569 3.533 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)CCOCC1 ZINC000599412495 861183527 /nfs/dbraw/zinc/18/35/27/861183527.db2.gz JZRMDCLYTZJWTB-GOSISDBHSA-N 1 0 396.453 3.989 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000733852020 863219007 /nfs/dbraw/zinc/21/90/07/863219007.db2.gz QAMSILMYQAOXNF-NRFANRHFSA-N 1 0 394.519 3.771 20 30 GHEDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000482508907 863237686 /nfs/dbraw/zinc/23/76/86/863237686.db2.gz KDCFYMCQGBSJEN-SFHVURJKSA-N 1 0 391.515 3.874 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262368917 863301633 /nfs/dbraw/zinc/30/16/33/863301633.db2.gz IESLLZNECKQVQX-IPMKNSEASA-N 1 0 382.508 3.519 20 30 GHEDRO N#CC1(NC(=O)c2cc3cc(F)ccc3[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000482560064 863314681 /nfs/dbraw/zinc/31/46/81/863314681.db2.gz XPBOHQYPOQLRTA-UHFFFAOYSA-N 1 0 376.435 3.595 20 30 GHEDRO COc1ccccc1C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCC1 ZINC000262374315 863318868 /nfs/dbraw/zinc/31/88/68/863318868.db2.gz MNIWFHQKNPNYTC-UHFFFAOYSA-N 1 0 381.476 3.705 20 30 GHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC001126932820 863391958 /nfs/dbraw/zinc/39/19/58/863391958.db2.gz GEWGGKUMMNAWBH-DEOSSOPVSA-N 1 0 390.527 3.659 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444172060 863589416 /nfs/dbraw/zinc/58/94/16/863589416.db2.gz ZETYBFNNFLXXFW-DOOINGLPSA-N 1 0 397.563 3.844 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000593984455 863623449 /nfs/dbraw/zinc/62/34/49/863623449.db2.gz YWYXNGUZLHWDCR-BSIFCXSSSA-N 1 0 381.545 3.998 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000594024539 863763789 /nfs/dbraw/zinc/76/37/89/863763789.db2.gz NYRQTBGCBVIKAC-CPJSRVTESA-N 1 0 387.527 3.861 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCOc2cccc(F)c2)c(-c2ccncc2)n1 ZINC000898444259 863879254 /nfs/dbraw/zinc/87/92/54/863879254.db2.gz IGLYPHAURPDHFT-UHFFFAOYSA-N 1 0 379.439 3.557 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCCO1 ZINC000594043482 863915921 /nfs/dbraw/zinc/91/59/21/863915921.db2.gz NVUBGOKWYRPNPO-SJORKVTESA-N 1 0 375.538 3.764 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000733998421 863933854 /nfs/dbraw/zinc/93/38/54/863933854.db2.gz VHUHHJOEZHEOTG-LJQANCHMSA-N 1 0 398.466 3.519 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1C1CCCCC1 ZINC000111744677 881712170 /nfs/dbraw/zinc/71/21/70/881712170.db2.gz CNVVWEDMTSWPFV-UHFFFAOYSA-N 1 0 394.523 3.856 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000172788169 863966920 /nfs/dbraw/zinc/96/69/20/863966920.db2.gz IYLKJAGRTCAXOX-GOSISDBHSA-N 1 0 385.508 3.658 20 30 GHEDRO C=CCOc1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000607366222 864348859 /nfs/dbraw/zinc/34/88/59/864348859.db2.gz BKPSSUMCZABELP-JOCHJYFZSA-N 1 0 386.923 3.631 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccncc1 ZINC000734654485 864371234 /nfs/dbraw/zinc/37/12/34/864371234.db2.gz WJTFCYSRRCGZPC-RTWAWAEBSA-N 1 0 394.519 3.844 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734844465 864472983 /nfs/dbraw/zinc/47/29/83/864472983.db2.gz YMZIWFISRVZNLJ-WOJBJXKFSA-N 1 0 391.437 3.661 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000842157267 864524528 /nfs/dbraw/zinc/52/45/28/864524528.db2.gz QDIOBEPPAHPXRI-NNMXDRDESA-N 1 0 392.503 3.535 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000554640282 864643294 /nfs/dbraw/zinc/64/32/94/864643294.db2.gz FNIUYIRFJKSQNF-FQEVSTJZSA-N 1 0 394.567 3.783 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(OC)c1 ZINC000607739562 864666210 /nfs/dbraw/zinc/66/62/10/864666210.db2.gz GFMYGCDYUCXGMK-VXKWHMMOSA-N 1 0 381.516 3.728 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000475286956 864718177 /nfs/dbraw/zinc/71/81/77/864718177.db2.gz SUHLHMTUQUEPFI-HXUWFJFHSA-N 1 0 397.563 3.667 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000475297235 864730322 /nfs/dbraw/zinc/73/03/22/864730322.db2.gz CHRZGIAUKXFZBB-LJQANCHMSA-N 1 0 399.579 3.961 20 30 GHEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 ZINC000475321132 864753449 /nfs/dbraw/zinc/75/34/49/864753449.db2.gz WZXNVZVRUBSNDU-GOSISDBHSA-N 1 0 378.476 3.603 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1OCCCC#N ZINC000475373169 864878942 /nfs/dbraw/zinc/87/89/42/864878942.db2.gz OSGGMZARYGIJAB-XMMPIXPASA-N 1 0 394.515 3.947 20 30 GHEDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000237630697 881831759 /nfs/dbraw/zinc/83/17/59/881831759.db2.gz RAMJLTVMBMIACE-UHFFFAOYSA-N 1 0 399.494 3.965 20 30 GHEDRO C=CCn1c([C@@H]2CCCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000622758935 865244369 /nfs/dbraw/zinc/24/43/69/865244369.db2.gz XHIHSYNMOVHWSD-GUDVDZBRSA-N 1 0 389.588 3.549 20 30 GHEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000608350225 865246138 /nfs/dbraw/zinc/24/61/38/865246138.db2.gz GTAUFFFUDANMKX-NRFANRHFSA-N 1 0 382.529 3.880 20 30 GHEDRO COc1cccc([C@H](CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000594211099 865385126 /nfs/dbraw/zinc/38/51/26/865385126.db2.gz HENPQVRPUYKZER-MBSDFSHPSA-N 1 0 391.515 3.699 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)Cc1ccccc1 ZINC000594208943 865408001 /nfs/dbraw/zinc/40/80/01/865408001.db2.gz ISNDXZRAHQSABC-JOCHJYFZSA-N 1 0 376.504 3.537 20 30 GHEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594230959 865489224 /nfs/dbraw/zinc/48/92/24/865489224.db2.gz NVMSUCFRVOSMNE-FQEVSTJZSA-N 1 0 375.516 3.780 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2C[NH+]2CCCC2)c1=S ZINC000738106331 865493522 /nfs/dbraw/zinc/49/35/22/865493522.db2.gz XQZARNQAEXQSGQ-FQEVSTJZSA-N 1 0 397.592 3.709 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594240196 865524225 /nfs/dbraw/zinc/52/42/25/865524225.db2.gz ZLPOJESNVBSQIC-JOCHJYFZSA-N 1 0 376.504 3.740 20 30 GHEDRO COc1cc(OC)cc(C2(F)CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000555125723 865567950 /nfs/dbraw/zinc/56/79/50/865567950.db2.gz OOWQHCKBPBTHFN-UHFFFAOYSA-N 1 0 384.451 3.915 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]CCCOc3cccc(C#N)c3)CCN2C2CC2)c1 ZINC000555127135 865571101 /nfs/dbraw/zinc/57/11/01/865571101.db2.gz ASCVFQRHTASLIK-ZEQRLZLVSA-N 1 0 391.515 3.903 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000555258438 865788950 /nfs/dbraw/zinc/78/89/50/865788950.db2.gz BPLPGFGWNZHPQQ-UHFFFAOYSA-N 1 0 394.567 3.925 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000740736271 865974080 /nfs/dbraw/zinc/97/40/80/865974080.db2.gz LZXVHOCJBVLZJR-UHFFFAOYSA-N 1 0 385.895 3.532 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCc2ccccc21 ZINC000303070235 866038987 /nfs/dbraw/zinc/03/89/87/866038987.db2.gz ZYEYPHUUCFDUAS-OAQYLSRUSA-N 1 0 377.444 3.855 20 30 GHEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000475694534 881946455 /nfs/dbraw/zinc/94/64/55/881946455.db2.gz HDURGRCPOSDTMA-NRFANRHFSA-N 1 0 389.565 3.700 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183142154 866267951 /nfs/dbraw/zinc/26/79/51/866267951.db2.gz UIQXWDOFTDWPDJ-ZVLZEYJHSA-N 1 0 393.535 3.842 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000741165588 866278271 /nfs/dbraw/zinc/27/82/71/866278271.db2.gz OZHQOOJDONJHQO-PXISMSIZSA-N 1 0 395.547 3.947 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000071040103 866353040 /nfs/dbraw/zinc/35/30/40/866353040.db2.gz QFJZASQPWPIWTI-UHFFFAOYSA-N 1 0 395.422 3.970 20 30 GHEDRO C=C(C)CN1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000106245263 866394925 /nfs/dbraw/zinc/39/49/25/866394925.db2.gz KORQTBVDOFMXIE-UHFFFAOYSA-N 1 0 377.326 3.855 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508827166 866395823 /nfs/dbraw/zinc/39/58/23/866395823.db2.gz QHPWWUWMBCHDBL-FXAWDEMLSA-N 1 0 393.535 3.593 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000534312899 866542182 /nfs/dbraw/zinc/54/21/82/866542182.db2.gz PIUZRRXMXFLPEI-PKTZIBPZSA-N 1 0 386.499 3.802 20 30 GHEDRO N#CC(CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)(c1ccccc1)c1ccccc1 ZINC000193076431 866566204 /nfs/dbraw/zinc/56/62/04/866566204.db2.gz VNNYWODUMCXDOY-OAQYLSRUSA-N 1 0 385.515 3.890 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)OCC ZINC000534388392 866666407 /nfs/dbraw/zinc/66/64/07/866666407.db2.gz KJYBBKHOHUEZJZ-HXUWFJFHSA-N 1 0 387.524 3.811 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000478841918 866744968 /nfs/dbraw/zinc/74/49/68/866744968.db2.gz WUSQPWBZEQFLTF-UHFFFAOYSA-N 1 0 399.535 3.900 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508497784 866799678 /nfs/dbraw/zinc/79/96/78/866799678.db2.gz NLOARUYEIWVDRK-KRWDZBQOSA-N 1 0 387.959 3.876 20 30 GHEDRO Cc1cccc(C2(O)CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1C ZINC000741800532 866821751 /nfs/dbraw/zinc/82/17/51/866821751.db2.gz NZHMCUDADAGOBJ-UHFFFAOYSA-N 1 0 383.517 3.549 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000741804833 866829228 /nfs/dbraw/zinc/82/92/28/866829228.db2.gz PHUOMOUNPWHTNM-UHFFFAOYSA-N 1 0 380.488 3.546 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000444617190 866940752 /nfs/dbraw/zinc/94/07/52/866940752.db2.gz PQQUUXZSLZUYJW-UHFFFAOYSA-N 1 0 378.476 3.597 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccc1Cl ZINC000444630913 866989710 /nfs/dbraw/zinc/98/97/10/866989710.db2.gz JCPWLVAAEGDCQG-KRWDZBQOSA-N 1 0 377.916 3.831 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000742119492 867060971 /nfs/dbraw/zinc/06/09/71/867060971.db2.gz XWLRQLSXYXCRRG-CIGMURNLSA-N 1 0 384.520 3.608 20 30 GHEDRO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000444718603 867134583 /nfs/dbraw/zinc/13/45/83/867134583.db2.gz VYBYSCIAJCYSGS-KDOFPFPSSA-N 1 0 380.330 3.632 20 30 GHEDRO C=C(C)CNC(=S)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793260919 882055063 /nfs/dbraw/zinc/05/50/63/882055063.db2.gz UTARGCDNWOXRPZ-QFIPXVFZSA-N 1 0 394.588 3.999 20 30 GHEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000444783035 867189862 /nfs/dbraw/zinc/18/98/62/867189862.db2.gz KDMNVUIHXHXFBW-LPHOPBHVSA-N 1 0 378.394 3.890 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)s2)c(C#N)c1C ZINC000444766380 867200842 /nfs/dbraw/zinc/20/08/42/867200842.db2.gz LWKWTALKNVWSLL-VIFPVBQESA-N 1 0 382.283 3.881 20 30 GHEDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000444774055 867214210 /nfs/dbraw/zinc/21/42/10/867214210.db2.gz HISTUDIVUGRIBV-JXFKEZNVSA-N 1 0 375.538 3.504 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2=O)cc(OC)c1O ZINC000742380861 867248702 /nfs/dbraw/zinc/24/87/02/867248702.db2.gz RIGNGBZYTCDWPP-HXUWFJFHSA-N 1 0 380.488 3.723 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000742371345 867265915 /nfs/dbraw/zinc/26/59/15/867265915.db2.gz RLKBWGPWHNZZNG-OAHLLOKOSA-N 1 0 390.386 3.987 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](O)COc1ccccc1 ZINC000444818598 867294026 /nfs/dbraw/zinc/29/40/26/867294026.db2.gz SCKAKMGPFVSXAW-GOSISDBHSA-N 1 0 390.430 3.810 20 30 GHEDRO C[C@H](CCOc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479268934 867492199 /nfs/dbraw/zinc/49/21/99/867492199.db2.gz AOQSQNRRWLXEJK-HXUWFJFHSA-N 1 0 391.515 3.766 20 30 GHEDRO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3ccc(C#N)c(OC)c3)c2)n1 ZINC000440633035 867573495 /nfs/dbraw/zinc/57/34/95/867573495.db2.gz DWFWRTXXJMHFDW-UHFFFAOYSA-N 1 0 393.468 3.767 20 30 GHEDRO COc1cc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)ccc1C#N ZINC000440632345 867626646 /nfs/dbraw/zinc/62/66/46/867626646.db2.gz BYLHMCODNXLXIZ-UHFFFAOYSA-N 1 0 379.382 3.928 20 30 GHEDRO C[NH+](C)[C@@]1(CNc2c(C#N)cnc3c(Br)cccc32)CCSC1 ZINC000440665701 867816383 /nfs/dbraw/zinc/81/63/83/867816383.db2.gz AGKIYQICHIXJQV-QGZVFWFLSA-N 1 0 391.338 3.718 20 30 GHEDRO C[N@H+](CCCCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CC1 ZINC000457207709 867853813 /nfs/dbraw/zinc/85/38/13/867853813.db2.gz UEEWGSNFMANNAT-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000553672354 867892999 /nfs/dbraw/zinc/89/29/99/867892999.db2.gz RVSAYBLHPHDVHI-QFIPXVFZSA-N 1 0 397.563 3.630 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000553682524 867928392 /nfs/dbraw/zinc/92/83/92/867928392.db2.gz IYEITRJJZAPMQV-UGKGYDQZSA-N 1 0 393.531 3.961 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)c1ccc(C)cc1 ZINC000743256668 867993254 /nfs/dbraw/zinc/99/32/54/867993254.db2.gz SXMSVGFICNCKCP-IBGZPJMESA-N 1 0 386.565 3.627 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCCc2cc(-c3ccccc3)no2)CC1 ZINC000171739259 882157540 /nfs/dbraw/zinc/15/75/40/882157540.db2.gz NBEAGPAOLUDJKK-UHFFFAOYSA-N 1 0 382.508 3.566 20 30 GHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H](C)C1 ZINC000553782883 868217959 /nfs/dbraw/zinc/21/79/59/868217959.db2.gz LVHJOZMXQAGFFQ-QKLQHJQFSA-N 1 0 393.487 3.533 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000479616261 868225540 /nfs/dbraw/zinc/22/55/40/868225540.db2.gz JXYWHZXGIZCUKD-VQTJNVASSA-N 1 0 381.472 3.721 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)c(C)c1OC ZINC000793390948 882165614 /nfs/dbraw/zinc/16/56/14/882165614.db2.gz MBYNNINYUKATHG-UHFFFAOYSA-N 1 0 395.503 3.969 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000457486900 868346878 /nfs/dbraw/zinc/34/68/78/868346878.db2.gz QDQBDZMEZJCGLB-FGZHOGPDSA-N 1 0 378.520 3.894 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479730407 868405467 /nfs/dbraw/zinc/40/54/67/868405467.db2.gz SMKCLCKCKNKJIU-JOCHJYFZSA-N 1 0 397.519 3.697 20 30 GHEDRO C[C@@H](C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)CO)c1ccccc1 ZINC000553936188 868466182 /nfs/dbraw/zinc/46/61/82/868466182.db2.gz QDBOEVRVPRYAMF-IRXDYDNUSA-N 1 0 376.460 3.595 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000535289722 868497881 /nfs/dbraw/zinc/49/78/81/868497881.db2.gz UVUAFBSIOVWBNU-VWNXMTODSA-N 1 0 375.516 3.883 20 30 GHEDRO C=CCn1c(SCC[C@H]2CCC[N@H+]2C)nc2sc3c(c2c1=O)CCC3 ZINC000535333647 868566624 /nfs/dbraw/zinc/56/66/24/868566624.db2.gz QUZWKJGHORTPIG-CYBMUJFWSA-N 1 0 375.563 3.709 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H]1OC ZINC000479891096 868689143 /nfs/dbraw/zinc/68/91/43/868689143.db2.gz YUMIYSBLCCVWPD-AHRSYUTCSA-N 1 0 387.524 3.514 20 30 GHEDRO CCC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H]1CCc2ccccc2C1 ZINC000744390392 868786813 /nfs/dbraw/zinc/78/68/13/868786813.db2.gz FECYYNYCDIGMMS-HXUWFJFHSA-N 1 0 386.499 3.690 20 30 GHEDRO CCC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)cc1 ZINC000190604092 882232277 /nfs/dbraw/zinc/23/22/77/882232277.db2.gz KTYRZJKFSUILOU-FCHUYYIVSA-N 1 0 377.488 3.799 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000609083170 868974053 /nfs/dbraw/zinc/97/40/53/868974053.db2.gz YMPZINYDRGHUBM-CYBMUJFWSA-N 1 0 380.439 3.792 20 30 GHEDRO C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)C1CCCCC1 ZINC000744817200 869083541 /nfs/dbraw/zinc/08/35/41/869083541.db2.gz GHXCOOPEIRZBAY-QFIPXVFZSA-N 1 0 383.536 3.810 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000524460904 869085966 /nfs/dbraw/zinc/08/59/66/869085966.db2.gz QCZZMZYDRMEOIL-LJQANCHMSA-N 1 0 377.488 3.597 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000524523528 869197267 /nfs/dbraw/zinc/19/72/67/869197267.db2.gz DJOCFVLIODGGJQ-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 ZINC000539496231 869219701 /nfs/dbraw/zinc/21/97/01/869219701.db2.gz JJOTVHFQMJTKCQ-GDBMZVCRSA-N 1 0 378.394 3.959 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000524549068 869239168 /nfs/dbraw/zinc/23/91/68/869239168.db2.gz KAGRNUVNIYNWSQ-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000524549070 869239594 /nfs/dbraw/zinc/23/95/94/869239594.db2.gz KAGRNUVNIYNWSQ-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445991480 869260530 /nfs/dbraw/zinc/26/05/30/869260530.db2.gz LSCITOUJPQDSHN-LNLFQRSKSA-N 1 0 381.442 3.986 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445991479 869260818 /nfs/dbraw/zinc/26/08/18/869260818.db2.gz LSCITOUJPQDSHN-LMMKCTJWSA-N 1 0 381.442 3.986 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000446063264 869330511 /nfs/dbraw/zinc/33/05/11/869330511.db2.gz XMVQGFSOCJCKMU-QFIPXVFZSA-N 1 0 380.488 3.739 20 30 GHEDRO CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000793585597 882292329 /nfs/dbraw/zinc/29/23/29/882292329.db2.gz DANLOIWWACGUPH-NRFANRHFSA-N 1 0 385.512 3.625 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3c(C#N)nnc4ccccc43)cc2)C[C@@H](C)O1 ZINC000524856608 869654648 /nfs/dbraw/zinc/65/46/48/869654648.db2.gz XNQPXGCKDRUVTG-IAGOWNOFSA-N 1 0 387.487 3.723 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3c(C#N)nnc4ccccc43)CC2)cc1 ZINC000524845987 869668748 /nfs/dbraw/zinc/66/87/48/869668748.db2.gz WRKHINYPLXWITL-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920761634 882365002 /nfs/dbraw/zinc/36/50/02/882365002.db2.gz NXWXSHWYVSSCNI-PKOBYXMFSA-N 1 0 392.341 3.510 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000121540046 882365877 /nfs/dbraw/zinc/36/58/77/882365877.db2.gz QPORQRFQBLOEHR-PBHICJAKSA-N 1 0 377.431 3.792 20 30 GHEDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000746137169 870070146 /nfs/dbraw/zinc/07/01/46/870070146.db2.gz ADBPBGXACDRIQV-GOSISDBHSA-N 1 0 378.394 3.839 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1OC ZINC000539977669 870142038 /nfs/dbraw/zinc/14/20/38/870142038.db2.gz POOJHHUYYVHNLD-UONOGXRCSA-N 1 0 384.314 3.927 20 30 GHEDRO N#Cc1ccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c(C(F)(F)F)c1 ZINC000462851283 870201368 /nfs/dbraw/zinc/20/13/68/870201368.db2.gz BZFHNQVACHQBKR-GOSISDBHSA-N 1 0 375.394 3.756 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508865171 870335698 /nfs/dbraw/zinc/33/56/98/870335698.db2.gz SSTTVLDJCQVGEY-QFIPXVFZSA-N 1 0 393.579 3.952 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(Cc3ccc(C)cc3)CC2)c1 ZINC001192470798 870391751 /nfs/dbraw/zinc/39/17/51/870391751.db2.gz IGTWXHRZLCJUSQ-UHFFFAOYSA-N 1 0 389.499 3.579 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1 ZINC001192902033 870757320 /nfs/dbraw/zinc/75/73/20/870757320.db2.gz XKPTZQRPCCEPOO-LBPRGKRZSA-N 1 0 398.454 3.548 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000461736429 870828777 /nfs/dbraw/zinc/82/87/77/870828777.db2.gz LDVRQFBGJGSBOY-DYESRHJHSA-N 1 0 377.488 3.624 20 30 GHEDRO COc1cccc([C@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000461770104 870911281 /nfs/dbraw/zinc/91/12/81/870911281.db2.gz VGGOFUKLIFDRCH-VGSWGCGISA-N 1 0 377.488 3.624 20 30 GHEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CN1C(=O)OC(C)(C)C ZINC001168871072 870923406 /nfs/dbraw/zinc/92/34/06/870923406.db2.gz GRDTZHRXOKWYEO-YVWKXTFCSA-N 1 0 385.508 3.799 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000249890275 870925293 /nfs/dbraw/zinc/92/52/93/870925293.db2.gz QGFDFRVCOYKATR-UYAOXDASSA-N 1 0 377.488 3.820 20 30 GHEDRO C=CCN(CCc1nc2ccccc2n1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001193414534 871097167 /nfs/dbraw/zinc/09/71/67/871097167.db2.gz YJHAXBAVVUJQNS-JOCHJYFZSA-N 1 0 391.515 3.778 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000540406610 871196234 /nfs/dbraw/zinc/19/62/34/871196234.db2.gz KAAOWAFCEXSAMS-QGZVFWFLSA-N 1 0 389.565 3.761 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2cc(Cl)ccc2Cl)c1 ZINC001193606012 871210908 /nfs/dbraw/zinc/21/09/08/871210908.db2.gz MBEXKNVRCUBUBG-GFCCVEGCSA-N 1 0 390.270 3.974 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C(C)C)[C@H]2CCOC2)c1C#N ZINC000463217489 871212918 /nfs/dbraw/zinc/21/29/18/871212918.db2.gz CYYAPPMLPFAKMJ-IBGZPJMESA-N 1 0 386.540 3.920 20 30 GHEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000463237895 871233378 /nfs/dbraw/zinc/23/33/78/871233378.db2.gz QTJRIHNHDPSLQG-QFBILLFUSA-N 1 0 387.480 3.798 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1)C[C@@H]1CCCCO1 ZINC000540422868 871243685 /nfs/dbraw/zinc/24/36/85/871243685.db2.gz YGMKZSREGYAOHS-NRFANRHFSA-N 1 0 394.519 3.929 20 30 GHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cc(C#N)cs3)cc2)C[C@@H]1C ZINC000540439644 871275696 /nfs/dbraw/zinc/27/56/96/871275696.db2.gz NUYWDIYBQXICSA-IRXDYDNUSA-N 1 0 397.544 3.559 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2cccc(C)c2)cc1 ZINC000041465864 871424055 /nfs/dbraw/zinc/42/40/55/871424055.db2.gz CJUJQXQMTQSREH-IBGZPJMESA-O 1 0 383.537 3.552 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000462069632 871566253 /nfs/dbraw/zinc/56/62/53/871566253.db2.gz SKNIQHKCPVQFHE-RBUKOAKNSA-N 1 0 391.515 3.678 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCc1cccc(Br)c1 ZINC000463418154 871676673 /nfs/dbraw/zinc/67/66/73/871676673.db2.gz QPEOZOZMIIHFOL-AWEZNQCLSA-N 1 0 386.293 3.822 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447498910 871704978 /nfs/dbraw/zinc/70/49/78/871704978.db2.gz DQWTWFNYDZVVOW-RTBURBONSA-N 1 0 380.492 3.844 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2ccccc2CC#N)C1 ZINC000776969547 882543516 /nfs/dbraw/zinc/54/35/16/882543516.db2.gz HRYOQFFFNQCGTQ-LJQANCHMSA-N 1 0 375.516 3.843 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182082599 871806314 /nfs/dbraw/zinc/80/63/14/871806314.db2.gz NHGUVAGQXJOSQR-IBGZPJMESA-N 1 0 377.532 4.000 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000776980781 882549826 /nfs/dbraw/zinc/54/98/26/882549826.db2.gz VADUGAHTXYVBSJ-RPWUZVMVSA-N 1 0 387.527 3.808 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC001194615141 871860990 /nfs/dbraw/zinc/86/09/90/871860990.db2.gz BXWFVOYOQZGLMI-HNNXBMFYSA-N 1 0 377.423 3.562 20 30 GHEDRO C[C@@H](CCc1ccccc1F)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000463487839 871873009 /nfs/dbraw/zinc/87/30/09/871873009.db2.gz AVVQPZNIYBYSEQ-SFHVURJKSA-N 1 0 381.495 3.856 20 30 GHEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000794027341 882557910 /nfs/dbraw/zinc/55/79/10/882557910.db2.gz YDVVSGRZGGSVPX-VXKWHMMOSA-N 1 0 394.519 3.556 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)C1 ZINC001194723725 871919965 /nfs/dbraw/zinc/91/99/65/871919965.db2.gz MDTZNEUROMOJMV-ACRUOGEOSA-N 1 0 399.535 3.703 20 30 GHEDRO N#Cc1ccnc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC001169843471 871934173 /nfs/dbraw/zinc/93/41/73/871934173.db2.gz DLBKYWGCFNBHOQ-UHFFFAOYSA-N 1 0 377.366 3.647 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000921075366 882562432 /nfs/dbraw/zinc/56/24/32/882562432.db2.gz MYCLCHIPKNOVMC-OAHLLOKOSA-N 1 0 380.330 3.769 20 30 GHEDRO CC(C)C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)Nc1nccs1 ZINC000552063103 871964205 /nfs/dbraw/zinc/96/42/05/871964205.db2.gz PDOHRTKXOHCCGI-IBGZPJMESA-N 1 0 397.548 3.627 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000618797214 872005257 /nfs/dbraw/zinc/00/52/57/872005257.db2.gz GJOATJRAFOMFEU-PMACEKPBSA-N 1 0 378.476 3.665 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000618819735 872026482 /nfs/dbraw/zinc/02/64/82/872026482.db2.gz LMAUWCWLAGNVIQ-PMACEKPBSA-N 1 0 382.895 3.801 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NCC(F)(F)F)cc1 ZINC000101534972 872070918 /nfs/dbraw/zinc/07/09/18/872070918.db2.gz PDOMXWSVNJMKHK-UHFFFAOYSA-O 1 0 381.443 3.990 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618852218 872074654 /nfs/dbraw/zinc/07/46/54/872074654.db2.gz CYAZFTUVMKCXBA-OAQYLSRUSA-N 1 0 398.457 3.597 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)C2)CC1 ZINC000618854527 872080670 /nfs/dbraw/zinc/08/06/70/872080670.db2.gz YHOCKZZLPVWNKU-SIKLNZKXSA-N 1 0 380.536 3.699 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccccc2)c(C)n1C ZINC000022730721 872111996 /nfs/dbraw/zinc/11/19/96/872111996.db2.gz HOIRMMARJXRGGR-UHFFFAOYSA-O 1 0 378.521 3.658 20 30 GHEDRO C=CCCOc1ccc(C(=O)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc1 ZINC001195123203 872185078 /nfs/dbraw/zinc/18/50/78/872185078.db2.gz PXPYTTNWULJBLT-IBGZPJMESA-N 1 0 386.536 3.793 20 30 GHEDRO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001195153279 872219391 /nfs/dbraw/zinc/21/93/91/872219391.db2.gz AVFGQJJJXFMHAE-YADHBBJMSA-N 1 0 382.529 3.990 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@@H]1CCCO1 ZINC000182335890 872224020 /nfs/dbraw/zinc/22/40/20/872224020.db2.gz QISNJPUCTZRHPB-PMACEKPBSA-N 1 0 386.540 3.968 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1OC ZINC000093482729 872229787 /nfs/dbraw/zinc/22/97/87/872229787.db2.gz ISUVIJIRJBGHOF-ZFWWWQNUSA-N 1 0 384.314 3.758 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000093740577 882602601 /nfs/dbraw/zinc/60/26/01/882602601.db2.gz BEECFDOUVBXWQT-UHFFFAOYSA-N 1 0 391.471 3.884 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCOC2)cc1OCC ZINC000093839813 872447597 /nfs/dbraw/zinc/44/75/97/872447597.db2.gz LRFCQFSHSILGPR-AWEZNQCLSA-N 1 0 384.314 3.881 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC000921150753 882635379 /nfs/dbraw/zinc/63/53/79/882635379.db2.gz RCXCNOYDXVWWPF-SFHVURJKSA-N 1 0 376.504 3.549 20 30 GHEDRO N#CCc1cccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000619480255 872675682 /nfs/dbraw/zinc/67/56/82/872675682.db2.gz XLHZWNKTKMXNBK-UHFFFAOYSA-N 1 0 397.544 3.607 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)N[C@H](C[NH+]3CCCCC3)c3ccccc3)n2)c1 ZINC000619612047 872783273 /nfs/dbraw/zinc/78/32/73/872783273.db2.gz UMXIBPSRKRGXRZ-HSZRJFAPSA-N 1 0 399.498 3.701 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182845079 872836064 /nfs/dbraw/zinc/83/60/64/872836064.db2.gz XAOUJJMVZZXYEP-MRXNPFEDSA-N 1 0 378.398 3.880 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC(N3CCc4ccccc43)CC2)c(C#N)c1C ZINC000619722862 872922076 /nfs/dbraw/zinc/92/20/76/872922076.db2.gz HZNHQFLLGIZSAK-INIZCTEOSA-N 1 0 392.503 3.622 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCC1 ZINC000527302670 872941314 /nfs/dbraw/zinc/94/13/14/872941314.db2.gz UFQKMRBUZVAKRF-QRTARXTBSA-N 1 0 379.426 3.882 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619760338 872972431 /nfs/dbraw/zinc/97/24/31/872972431.db2.gz FRIAKPHSEXLWRL-YWZLYKJASA-N 1 0 382.895 3.531 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000527319253 873001434 /nfs/dbraw/zinc/00/14/34/873001434.db2.gz BOTBRPDLNUDHHX-BGYRXZFFSA-N 1 0 390.487 3.553 20 30 GHEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000527349703 873026358 /nfs/dbraw/zinc/02/63/58/873026358.db2.gz WDGMCHWWYBYCQY-FQVISZRSSA-N 1 0 392.503 3.959 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527350003 873026489 /nfs/dbraw/zinc/02/64/89/873026489.db2.gz HILPYQIXOWPLPG-BKAOJLMESA-N 1 0 390.531 3.753 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001196331087 873037465 /nfs/dbraw/zinc/03/74/65/873037465.db2.gz DXMOLUBTOYMKPS-UHFFFAOYSA-N 1 0 378.545 3.799 20 30 GHEDRO C[C@H](C(=O)NCc1cc(C#N)ccc1F)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000464037211 873095098 /nfs/dbraw/zinc/09/50/98/873095098.db2.gz DNMXEIJIBQZCMW-QGZVFWFLSA-N 1 0 379.479 3.657 20 30 GHEDRO CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000746496088 873137760 /nfs/dbraw/zinc/13/77/60/873137760.db2.gz TZUFTLOQPGLHOU-QMFLXTPQSA-N 1 0 381.564 3.531 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)cc1 ZINC000121455960 873220734 /nfs/dbraw/zinc/22/07/34/873220734.db2.gz CAEDPMOULJSDRE-KRWDZBQOSA-N 1 0 389.503 3.902 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000743152522 873234946 /nfs/dbraw/zinc/23/49/46/873234946.db2.gz YBYXEBMOHPXTFG-OXJNMPFZSA-N 1 0 383.517 3.965 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CC(C)(C)N(O)C(C)(C)C3)C2)C1 ZINC001169991525 873252325 /nfs/dbraw/zinc/25/23/25/873252325.db2.gz DIFSKMHMPVPBEA-NRFANRHFSA-N 1 0 379.545 3.508 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3ccccc3)C2)c(F)c1 ZINC000109351872 882704907 /nfs/dbraw/zinc/70/49/07/882704907.db2.gz TVMRXGHZRHLCGS-LJQANCHMSA-N 1 0 375.451 3.846 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000768389796 873286816 /nfs/dbraw/zinc/28/68/16/873286816.db2.gz FQUMEPCBBRSCHW-HXUWFJFHSA-N 1 0 384.524 3.632 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000768498325 873338864 /nfs/dbraw/zinc/33/88/64/873338864.db2.gz HOXHOERTGZOQEI-ICSRJNTNSA-N 1 0 397.592 3.949 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=S)NCc3ccccc3Cl)CC2)cc1 ZINC001196837292 873395580 /nfs/dbraw/zinc/39/55/80/873395580.db2.gz KVZXLUMPNKPTQW-UHFFFAOYSA-N 1 0 398.963 3.840 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@]2(C#N)CCCOC2)cc1)C[C@H]1CCCCO1 ZINC000867213948 873486783 /nfs/dbraw/zinc/48/67/83/873486783.db2.gz DCCDTMGGDSNGTO-GGAORHGYSA-N 1 0 399.535 3.725 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@]2(C#N)CCCOC2)cc1)C[C@@H]1CCCCO1 ZINC000867213950 873487025 /nfs/dbraw/zinc/48/70/25/873487025.db2.gz DCCDTMGGDSNGTO-GMAHTHKFSA-N 1 0 399.535 3.725 20 30 GHEDRO COc1ccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)cc1OCCCC#N ZINC000527732668 873508579 /nfs/dbraw/zinc/50/85/79/873508579.db2.gz APHQQOGOPKCPCL-JOCHJYFZSA-N 1 0 382.460 3.697 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1C#N ZINC000768945852 873671398 /nfs/dbraw/zinc/67/13/98/873671398.db2.gz MITMDDRTFFIBJM-GOSISDBHSA-N 1 0 377.410 3.978 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)o2)cc1 ZINC000464350384 873685575 /nfs/dbraw/zinc/68/55/75/873685575.db2.gz NOPWTGVJTISYOF-IBGZPJMESA-N 1 0 393.487 3.725 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4cc(F)c(Cl)cc43)C2=O)cc1 ZINC000527893673 873725057 /nfs/dbraw/zinc/72/50/57/873725057.db2.gz OGXJOIUNYBBKFW-WOJBJXKFSA-N 1 0 383.854 3.729 20 30 GHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000769162325 873857655 /nfs/dbraw/zinc/85/76/55/873857655.db2.gz VZOVUPUOKXRSLN-GOSISDBHSA-N 1 0 390.350 3.936 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1 ZINC001197701595 873989658 /nfs/dbraw/zinc/98/96/58/873989658.db2.gz LSNIJRRGMRKVCC-GOSISDBHSA-N 1 0 393.556 3.900 20 30 GHEDRO N#Cc1cccc(NC(=S)NCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC001197723261 874007660 /nfs/dbraw/zinc/00/76/60/874007660.db2.gz MJOJHMVMIUGXLE-UHFFFAOYSA-N 1 0 378.545 3.799 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000448833923 874040163 /nfs/dbraw/zinc/04/01/63/874040163.db2.gz ZFVCWDTXYXNWLI-IBGZPJMESA-N 1 0 384.545 3.884 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769424695 874046733 /nfs/dbraw/zinc/04/67/33/874046733.db2.gz NXNPMZOXKPNPQR-XLIONFOSSA-N 1 0 386.540 3.772 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700904 874139672 /nfs/dbraw/zinc/13/96/72/874139672.db2.gz GUXOIIDLQSZFLK-FPOVZHCZSA-N 1 0 384.451 3.937 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C#N)c1C ZINC000595778910 874217948 /nfs/dbraw/zinc/21/79/48/874217948.db2.gz VSXKJSNVBBJOHA-JKSUJKDBSA-N 1 0 375.538 3.891 20 30 GHEDRO C=CCc1c(Cl)ncnc1NCCSCc1csc(CN(C)C)n1 ZINC001168105500 874220494 /nfs/dbraw/zinc/22/04/94/874220494.db2.gz ONNUWSAHVFFTEK-UHFFFAOYSA-N 1 0 383.974 3.722 20 30 GHEDRO Cc1noc(C[C@@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC001198210431 874274280 /nfs/dbraw/zinc/27/42/80/874274280.db2.gz IJIZHKJCHNVDAA-INIZCTEOSA-N 1 0 379.382 3.583 20 30 GHEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(=NNc3nc(=O)c4cnn(C(C)(C)C)c4[nH]3)CC2)C1 ZINC000769810994 874301745 /nfs/dbraw/zinc/30/17/45/874301745.db2.gz WYTDMIKSLBCFQL-GDBMZVCRSA-N 1 0 399.543 3.729 20 30 GHEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC1 ZINC000769812748 874304829 /nfs/dbraw/zinc/30/48/29/874304829.db2.gz PODCGEQYBITZJP-WMLDXEAASA-N 1 0 399.543 3.729 20 30 GHEDRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC001198238897 874305231 /nfs/dbraw/zinc/30/52/31/874305231.db2.gz ABLBOLIHZGFGEM-GOSISDBHSA-N 1 0 393.572 3.694 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769836858 874317828 /nfs/dbraw/zinc/31/78/28/874317828.db2.gz HFWOZQOZBWHQGN-INIZCTEOSA-N 1 0 398.469 3.802 20 30 GHEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000464738225 874377464 /nfs/dbraw/zinc/37/74/64/874377464.db2.gz OQDDBVFLKCPALT-OXJNMPFZSA-N 1 0 388.556 3.852 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541881972 874462140 /nfs/dbraw/zinc/46/21/40/874462140.db2.gz APOVQUDDZDGDBU-YWZLYKJASA-N 1 0 378.432 3.621 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775881627 874514665 /nfs/dbraw/zinc/51/46/65/874514665.db2.gz CDSKFTMQVTYZJF-JOCHJYFZSA-N 1 0 377.488 3.718 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000464794136 874522709 /nfs/dbraw/zinc/52/27/09/874522709.db2.gz VURBIAPJZJHKIB-JOCHJYFZSA-N 1 0 393.531 3.919 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC3(C2)CCOCC3)c1C#N ZINC000464826131 874586937 /nfs/dbraw/zinc/58/69/37/874586937.db2.gz YZUZNCXVBQIZOO-UHFFFAOYSA-N 1 0 384.524 3.533 20 30 GHEDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000541982985 874704331 /nfs/dbraw/zinc/70/43/31/874704331.db2.gz DHWDMSVIPNJBGT-OXJNMPFZSA-N 1 0 397.544 3.762 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000770800911 874875704 /nfs/dbraw/zinc/87/57/04/874875704.db2.gz CIVHLTORFKVJQT-MRXNPFEDSA-N 1 0 382.508 3.780 20 30 GHEDRO COc1ccc(Br)c([C@H](CO)N(C)Cc2ccc(C#N)c(C)c2)c1 ZINC000449473207 874905885 /nfs/dbraw/zinc/90/58/85/874905885.db2.gz RLWKVQAPJIBPQY-IBGZPJMESA-N 1 0 389.293 3.803 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000449485894 874935561 /nfs/dbraw/zinc/93/55/61/874935561.db2.gz OWNWZLDFFVEOLU-UHFFFAOYSA-N 1 0 387.886 3.984 20 30 GHEDRO COc1cc(CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)ccc1C#N ZINC000460608413 874946405 /nfs/dbraw/zinc/94/64/05/874946405.db2.gz KXXQOCNFDRZSHO-SFHVURJKSA-N 1 0 391.515 3.526 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc3c(cccc3Cl)n2CC(F)(F)F)CC1 ZINC000794436124 875048519 /nfs/dbraw/zinc/04/85/19/875048519.db2.gz YZVNJDORKZXFQH-UHFFFAOYSA-N 1 0 398.816 3.536 20 30 GHEDRO CC1(C#N)CCC([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449601145 875125630 /nfs/dbraw/zinc/12/56/30/875125630.db2.gz QPHATCCHCPNIGF-IMUUDWKMSA-N 1 0 383.305 3.801 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)cc1OC ZINC000449627634 875149728 /nfs/dbraw/zinc/14/97/28/875149728.db2.gz GRASOOGWZSRKTK-YVEFUNNKSA-N 1 0 384.314 3.926 20 30 GHEDRO CCC(CC)(CNC(=O)NCc1ccc(C#N)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000780454697 875175135 /nfs/dbraw/zinc/17/51/35/875175135.db2.gz HVXJXAVBIUGEQS-KRWDZBQOSA-N 1 0 379.508 3.662 20 30 GHEDRO N#C[C@@H](C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccccn1 ZINC000528918780 875292227 /nfs/dbraw/zinc/29/22/27/875292227.db2.gz JILGJGWTWKAWRV-BHIFYINESA-N 1 0 382.467 3.569 20 30 GHEDRO Cc1c(C(=O)/C=C/c2ccc(N3CC[NH+](C)CC3)cc2)cnn1-c1ccccc1 ZINC000771518419 875310249 /nfs/dbraw/zinc/31/02/49/875310249.db2.gz RNVLKTQRXYWFMX-JLHYYAGUSA-N 1 0 386.499 3.829 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000065473263 875326337 /nfs/dbraw/zinc/32/63/37/875326337.db2.gz WTOFXXFXVLMQSK-UHFFFAOYSA-N 1 0 380.492 3.989 20 30 GHEDRO C[NH+]1CCN(c2ccc(C=NNCc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000771562943 875334619 /nfs/dbraw/zinc/33/46/19/875334619.db2.gz GVAJGFXPCJSYNO-UHFFFAOYSA-N 1 0 376.426 3.581 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c(F)c1 ZINC000449754941 875352581 /nfs/dbraw/zinc/35/25/81/875352581.db2.gz LAUHZCGOYWWUTI-PKOBYXMFSA-N 1 0 377.385 3.817 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=S)Nc1ccc(C#N)cc1Br ZINC001201124080 875537173 /nfs/dbraw/zinc/53/71/73/875537173.db2.gz FQVSVYFEZFRSSU-UHFFFAOYSA-N 1 0 383.359 3.681 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000772133542 875719689 /nfs/dbraw/zinc/71/96/89/875719689.db2.gz LWRGVQTUARUJLS-UHFFFAOYSA-N 1 0 381.447 3.793 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 ZINC000858228598 882959134 /nfs/dbraw/zinc/95/91/34/882959134.db2.gz WJHKINGAIJBCNN-QFBILLFUSA-N 1 0 385.508 3.999 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cnn(-c2ccccc2F)c1)C(C)C ZINC001201635953 875777244 /nfs/dbraw/zinc/77/72/44/875777244.db2.gz JRYJKAKNWZUCNY-HXUWFJFHSA-N 1 0 385.487 3.832 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000858245085 882971054 /nfs/dbraw/zinc/97/10/54/882971054.db2.gz MYBBYQAOXTWOJS-IIBYNOLFSA-N 1 0 385.895 3.626 20 30 GHEDRO CCCCCCCCC[NH+]1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C ZINC001201840141 875899630 /nfs/dbraw/zinc/89/96/30/875899630.db2.gz VJUDWDIXIQRULS-IBGZPJMESA-N 1 0 390.572 3.757 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCCn2c(CNC(=O)C(C)C)nnc2C1 ZINC001201874732 875918503 /nfs/dbraw/zinc/91/85/03/875918503.db2.gz DYQCHIALOZOWQF-UHFFFAOYSA-N 1 0 377.577 3.897 20 30 GHEDRO COc1cccc2c1CCC[C@@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC001201963790 875956207 /nfs/dbraw/zinc/95/62/07/875956207.db2.gz WEPKTPZXMYNXKS-DENIHFKCSA-N 1 0 389.499 3.599 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCc3ccc(F)c(F)c3)CC2)cc1 ZINC000152324927 875984812 /nfs/dbraw/zinc/98/48/12/875984812.db2.gz QJAICPHHDFYIOD-UHFFFAOYSA-N 1 0 397.469 3.894 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529368804 876044147 /nfs/dbraw/zinc/04/41/47/876044147.db2.gz VNRWFARJOSYPNX-MRXNPFEDSA-N 1 0 396.304 3.570 20 30 GHEDRO CCOc1cc2c(cc1OCC)C[N@H+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000192639436 882993520 /nfs/dbraw/zinc/99/35/20/882993520.db2.gz BYVWWIADOMGTOX-UHFFFAOYSA-N 1 0 393.487 3.743 20 30 GHEDRO CCc1ccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccc(C)cc2)cc1 ZINC000151917151 876110755 /nfs/dbraw/zinc/11/07/55/876110755.db2.gz BNSNUZYNGYSOII-UHFFFAOYSA-O 1 0 379.509 3.629 20 30 GHEDRO CC(C)C[C@H](CNc1nc2c(cc1C#N)COCC2)[NH2+][C@H](C)c1ccccc1 ZINC000450338713 876290248 /nfs/dbraw/zinc/29/02/48/876290248.db2.gz YUSQIMZVDMUEAG-DYESRHJHSA-N 1 0 378.520 3.625 20 30 GHEDRO N#Cc1ccc2ncc(CN3CCC(Cc4nc(C5CCCC5)no4)CC3)n2c1 ZINC000529637618 876424090 /nfs/dbraw/zinc/42/40/90/876424090.db2.gz HDGWCBBBDHWOGC-UHFFFAOYSA-N 1 0 390.491 3.701 20 30 GHEDRO C#CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000108523074 876486054 /nfs/dbraw/zinc/48/60/54/876486054.db2.gz CZYSNPIBIHRKFH-UHFFFAOYSA-N 1 0 383.517 3.794 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)cc2)CC1 ZINC000850072621 876638019 /nfs/dbraw/zinc/63/80/19/876638019.db2.gz DVDFFXIKRSAPLZ-UHFFFAOYSA-N 1 0 379.479 3.632 20 30 GHEDRO COCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1C#N ZINC000529817016 876710180 /nfs/dbraw/zinc/71/01/80/876710180.db2.gz UJUJKSYBUFGVAO-QGZVFWFLSA-N 1 0 381.451 3.694 20 30 GHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450656690 876741788 /nfs/dbraw/zinc/74/17/88/876741788.db2.gz KJTNOCVLSIFNBP-MRXNPFEDSA-N 1 0 384.268 3.677 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 ZINC000850415040 876895902 /nfs/dbraw/zinc/89/59/02/876895902.db2.gz KWZFUVHLQDWIGV-MTNREXPMSA-N 1 0 377.488 3.808 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[NH+](C3CCCC3)CC2)c1=S ZINC000152138112 876981237 /nfs/dbraw/zinc/98/12/37/876981237.db2.gz JRYUPNZXYZGDPV-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO C[C@@H]([NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1)c1ccc(OCC#N)cc1 ZINC000850545063 877013563 /nfs/dbraw/zinc/01/35/63/877013563.db2.gz DNRGPHAPLXKQRZ-HXUWFJFHSA-N 1 0 390.531 3.594 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850550257 877017472 /nfs/dbraw/zinc/01/74/72/877017472.db2.gz ORLYKNQRNVTAQE-CEXWTWQISA-N 1 0 391.556 3.855 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443959321 877063657 /nfs/dbraw/zinc/06/36/57/877063657.db2.gz HTUDTSVSVIQGKE-WIYYLYMNSA-N 1 0 397.544 3.713 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850762891 877152241 /nfs/dbraw/zinc/15/22/41/877152241.db2.gz QLDPCYMQMQWCJT-NRFANRHFSA-N 1 0 381.476 3.889 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787097459 877166773 /nfs/dbraw/zinc/16/67/73/877166773.db2.gz JQSQSNNDPFHGSX-QFIPXVFZSA-N 1 0 380.536 3.889 20 30 GHEDRO COc1ccc2nc(N=NC3CCOC[C@@H]3C[NH+]3CCCCC3)c(C)cc2c1 ZINC000787162867 877208169 /nfs/dbraw/zinc/20/81/69/877208169.db2.gz QHBGSOIEUITBFI-SFHVURJKSA-N 1 0 382.508 3.842 20 30 GHEDRO CCC(CC)(CNC(=O)C(=O)Nc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000609956866 877212008 /nfs/dbraw/zinc/21/20/08/877212008.db2.gz ALUKBLYFJKSUCQ-KRWDZBQOSA-N 1 0 392.503 3.523 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000175013912 877402465 /nfs/dbraw/zinc/40/24/65/877402465.db2.gz FVQHLVHLNIQIPR-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000610139719 877424117 /nfs/dbraw/zinc/42/41/17/877424117.db2.gz AGPVMCNCOFFLQH-BPUDTRNYSA-N 1 0 393.531 3.977 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300105 877747732 /nfs/dbraw/zinc/74/77/32/877747732.db2.gz APIQIRGPYREOSL-OAHLLOKOSA-N 1 0 397.422 3.680 20 30 GHEDRO COc1ccc([C@@H](CNc2c(C#N)cnc3c(C)cccc32)[NH+](C)C)cc1OC ZINC000615487997 877810863 /nfs/dbraw/zinc/81/08/63/877810863.db2.gz UKHQOWUTCOTCCB-LJQANCHMSA-N 1 0 390.487 3.569 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000530475709 877881073 /nfs/dbraw/zinc/88/10/73/877881073.db2.gz QAQWBCZGLXHAGD-SFHVURJKSA-N 1 0 377.536 3.652 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2[C@H](C)C[C@@H](O)C[C@@H]2C)c1C#N ZINC000248835353 877883825 /nfs/dbraw/zinc/88/38/25/877883825.db2.gz NHRDNGRTFCMFMK-CCWDJLKJSA-N 1 0 386.540 3.654 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=S)NN=C2CCC[C@H]([NH+](C)C)C2)c1 ZINC000788427330 878053601 /nfs/dbraw/zinc/05/36/01/878053601.db2.gz JLGPUYXBZGPDSW-HNNXBMFYSA-N 1 0 378.542 3.631 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)cc1 ZINC000537722039 878196862 /nfs/dbraw/zinc/19/68/62/878196862.db2.gz VMUGJPXOWGUVMR-UHFFFAOYSA-N 1 0 384.439 3.966 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000237886111 878218997 /nfs/dbraw/zinc/21/89/97/878218997.db2.gz AHRIYYFTCMBBOP-XMMPIXPASA-N 1 0 378.516 3.560 20 30 GHEDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000451596454 878223465 /nfs/dbraw/zinc/22/34/65/878223465.db2.gz FXWCOENGRJIFDV-XLIONFOSSA-N 1 0 391.581 3.706 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000530640429 878250479 /nfs/dbraw/zinc/25/04/79/878250479.db2.gz MNDAGHFYZMHZPJ-AWEZNQCLSA-N 1 0 377.535 3.501 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000537788835 878291478 /nfs/dbraw/zinc/29/14/78/878291478.db2.gz YYHICCAJFXNAPG-UHFFFAOYSA-N 1 0 388.515 3.750 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc(C#N)c1Br)c1ccco1 ZINC000451673092 878292477 /nfs/dbraw/zinc/29/24/77/878292477.db2.gz KEXFDOQYGXSSFA-SWLSCSKDSA-N 1 0 390.281 3.773 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000451672381 878292705 /nfs/dbraw/zinc/29/27/05/878292705.db2.gz HXXPXSPBOSAHKM-MSOLQXFVSA-N 1 0 382.426 3.520 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1C#N ZINC000451697157 878318520 /nfs/dbraw/zinc/31/85/20/878318520.db2.gz QMXUJRINXQWZLE-WSTZPKSXSA-N 1 0 398.551 3.513 20 30 GHEDRO CCCCCCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC(F)(F)F)C2)C1 ZINC001275118309 912345750 /nfs/dbraw/zinc/34/57/50/912345750.db2.gz CMPMQSLYXVANBB-SFHVURJKSA-N 1 0 378.479 3.850 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1 ZINC000852605042 878461822 /nfs/dbraw/zinc/46/18/22/878461822.db2.gz WHZSPDJEAMBMJN-GOSISDBHSA-N 1 0 379.426 3.571 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460788874 878565182 /nfs/dbraw/zinc/56/51/82/878565182.db2.gz AQUYMBBZAPSXKA-SJLPKXTDSA-N 1 0 399.514 3.806 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460793641 878574004 /nfs/dbraw/zinc/57/40/04/878574004.db2.gz OLVJILRMMBBNJG-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000537951610 878574381 /nfs/dbraw/zinc/57/43/81/878574381.db2.gz UYNHZWMMGPXEQO-WPPNPWJKSA-N 1 0 379.272 3.853 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000852783255 878598809 /nfs/dbraw/zinc/59/88/09/878598809.db2.gz XVNDPXZOUZKRKB-MSOLQXFVSA-N 1 0 377.488 3.998 20 30 GHEDRO CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852803560 878613101 /nfs/dbraw/zinc/61/31/01/878613101.db2.gz LQYQVIKXVFABJV-UHFFFAOYSA-N 1 0 398.510 3.501 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000177239733 878615183 /nfs/dbraw/zinc/61/51/83/878615183.db2.gz BQZSDAQLWBYXSB-MRXNPFEDSA-N 1 0 398.334 3.807 20 30 GHEDRO CCn1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000451895952 878655300 /nfs/dbraw/zinc/65/53/00/878655300.db2.gz RQWPKJQFENVICJ-KBPBESRZSA-N 1 0 385.537 3.783 20 30 GHEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000616354062 878809605 /nfs/dbraw/zinc/80/96/05/878809605.db2.gz XYEHFKHNDSYKAU-HNNXBMFYSA-N 1 0 399.336 3.905 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3cccc(C#N)c3F)CC2)c1C ZINC000538118324 878840301 /nfs/dbraw/zinc/84/03/01/878840301.db2.gz CAFZMZVTRGOTFE-UHFFFAOYSA-N 1 0 396.510 3.814 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460931664 878851163 /nfs/dbraw/zinc/85/11/63/878851163.db2.gz LTTSGGRCRYPTND-TZIWHRDSSA-N 1 0 397.567 3.642 20 30 GHEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000452036886 878862305 /nfs/dbraw/zinc/86/23/05/878862305.db2.gz SMKDXANAUHTTQV-WOJBJXKFSA-N 1 0 386.540 3.968 20 30 GHEDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000789364341 878899691 /nfs/dbraw/zinc/89/96/91/878899691.db2.gz MRWYPHTWPWNVJV-QGZVFWFLSA-N 1 0 379.460 3.977 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001183294934 912402286 /nfs/dbraw/zinc/40/22/86/912402286.db2.gz SYYRJYRNYCUSNR-DKUWSORSSA-N 1 0 385.511 3.902 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC2CC2)cc1 ZINC000068865725 879106245 /nfs/dbraw/zinc/10/62/45/879106245.db2.gz TVMFYPQXUSOXTM-UHFFFAOYSA-O 1 0 377.436 3.575 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3cc4cccc(Cl)c4nc3Cl)C2)C1=O ZINC001275152355 912429646 /nfs/dbraw/zinc/42/96/46/912429646.db2.gz JYQVZYBVYIEDRH-FQEVSTJZSA-N 1 0 388.298 3.599 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452451574 879462440 /nfs/dbraw/zinc/46/24/40/879462440.db2.gz DAEYRNAYTIHXIB-FSSWDIPSSA-N 1 0 382.548 3.727 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000564380483 879511110 /nfs/dbraw/zinc/51/11/10/879511110.db2.gz RJGVYPRYCJEHHF-PKOBYXMFSA-N 1 0 387.597 3.867 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000152692379 879591698 /nfs/dbraw/zinc/59/16/98/879591698.db2.gz LICBWUJBUWIDNK-FQEVSTJZSA-N 1 0 382.895 3.585 20 30 GHEDRO COc1cc(C#N)ccc1OCCCc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000531348714 879672526 /nfs/dbraw/zinc/67/25/26/879672526.db2.gz ZNYSJYGGKKEQFQ-UHFFFAOYSA-N 1 0 392.459 3.690 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493894313 879724176 /nfs/dbraw/zinc/72/41/76/879724176.db2.gz NDKVMQNAFAPLKX-HKUYNNGSSA-N 1 0 375.806 3.551 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC)Cc2ccccc2Br)CC1 ZINC000470171263 879774648 /nfs/dbraw/zinc/77/46/48/879774648.db2.gz HLZKPLXRVYMCDO-INIZCTEOSA-N 1 0 394.357 3.720 20 30 GHEDRO CC[NH+](CC)[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000461446642 879835639 /nfs/dbraw/zinc/83/56/39/879835639.db2.gz ICCOSLGLXSLHDK-NRFANRHFSA-N 1 0 389.459 3.932 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1)C1N=CC=CC1=O ZINC000790545215 879837048 /nfs/dbraw/zinc/83/70/48/879837048.db2.gz UPEMAJUEUPWYIR-QZQOTICOSA-N 1 0 381.863 3.623 20 30 GHEDRO Cc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c(C)n1-c1ccc(C#N)cc1 ZINC000854498586 879854760 /nfs/dbraw/zinc/85/47/60/879854760.db2.gz UDIVXPYZRDLUFA-UHFFFAOYSA-N 1 0 376.504 3.524 20 30 GHEDRO C=CCSCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000494054053 879859741 /nfs/dbraw/zinc/85/97/41/879859741.db2.gz AICGVVQDJRPVFO-LJQANCHMSA-N 1 0 397.512 3.967 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000461462160 879879660 /nfs/dbraw/zinc/87/96/60/879879660.db2.gz YJQJUXPCSOYCIC-UHFFFAOYSA-N 1 0 392.890 3.961 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000494219463 880003884 /nfs/dbraw/zinc/00/38/84/880003884.db2.gz JRGBZRGQWCWYLG-CTNGQTDRSA-N 1 0 383.442 3.828 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1CC#N)c1cccc(OC)c1 ZINC000776755968 880069326 /nfs/dbraw/zinc/06/93/26/880069326.db2.gz RQRFGWZLPYVGFI-JOCHJYFZSA-N 1 0 379.504 3.503 20 30 GHEDRO C=C(C)[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(F)c(F)c1 ZINC000184844299 880396048 /nfs/dbraw/zinc/39/60/48/880396048.db2.gz UDGPZUHCZCCICA-HXUWFJFHSA-N 1 0 378.463 3.733 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3Br)CC2)C1=O ZINC001275196941 912582773 /nfs/dbraw/zinc/58/27/73/912582773.db2.gz HBMXMDVGUYHWAD-LJQANCHMSA-N 1 0 377.326 3.840 20 30 GHEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000185927118 880732661 /nfs/dbraw/zinc/73/26/61/880732661.db2.gz AZCCGJSFMZTVRZ-APWZRJJASA-N 1 0 392.341 3.510 20 30 GHEDRO CC(C)(C)[NH+]1CCC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000747047700 880754549 /nfs/dbraw/zinc/75/45/49/880754549.db2.gz FPUFYDOLQPWELG-UHFFFAOYSA-N 1 0 377.432 3.642 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)cc1 ZINC000453324834 880797767 /nfs/dbraw/zinc/79/77/67/880797767.db2.gz LICPRXXKPFFMDW-MRXNPFEDSA-N 1 0 394.494 3.971 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000453353466 880826557 /nfs/dbraw/zinc/82/65/57/880826557.db2.gz IARYZEMTDCOZJF-BBRMVZONSA-N 1 0 391.284 3.962 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000532013324 880920751 /nfs/dbraw/zinc/92/07/51/880920751.db2.gz SFSPPYAPTSTXPS-UHFFFAOYSA-N 1 0 391.515 3.577 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000453433922 880940158 /nfs/dbraw/zinc/94/01/58/880940158.db2.gz DUTZTWSRAKEGBE-AQNXPRMDSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000453468087 880977674 /nfs/dbraw/zinc/97/76/74/880977674.db2.gz SJJJSSKQCROVPD-SFTDATJTSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c(N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453448817 881001209 /nfs/dbraw/zinc/00/12/09/881001209.db2.gz ZFPOOUFFUWRVBY-NZQKXSOJSA-N 1 0 395.551 3.591 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000532032931 881004707 /nfs/dbraw/zinc/00/47/07/881004707.db2.gz JEIPLHWAYCLTCT-JPYJTQIMSA-N 1 0 379.504 3.691 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc1 ZINC001170167004 881125813 /nfs/dbraw/zinc/12/58/13/881125813.db2.gz QHWOETMOJPNPBV-UHFFFAOYSA-N 1 0 392.579 3.784 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000856413637 881216545 /nfs/dbraw/zinc/21/65/45/881216545.db2.gz OGKMKQXBDOJPIU-CLFYSBASSA-N 1 0 384.520 3.511 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c(OC)c1 ZINC000499157341 881291758 /nfs/dbraw/zinc/29/17/58/881291758.db2.gz UKPDNNLBDYBOQP-HXUWFJFHSA-N 1 0 382.504 3.530 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CCC)Cc2ccccc2Br)CC1 ZINC000919966548 881298389 /nfs/dbraw/zinc/29/83/89/881298389.db2.gz LZQNFGVTOPFQSG-UHFFFAOYSA-N 1 0 377.326 3.533 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729852966 883266908 /nfs/dbraw/zinc/26/69/08/883266908.db2.gz ZGXKCNJLLRDWDH-KNQAVFIVSA-N 1 0 398.466 3.687 20 30 GHEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccccc1Cl ZINC000609594219 883369723 /nfs/dbraw/zinc/36/97/23/883369723.db2.gz DEOKRJHPJWKVCB-LJQANCHMSA-N 1 0 385.920 3.883 20 30 GHEDRO CCOc1cccc(/C=C/C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000858859173 883409316 /nfs/dbraw/zinc/40/93/16/883409316.db2.gz CQQOJBHTKYDQSL-VAWYXSNFSA-N 1 0 377.488 3.561 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(F)c1 ZINC000609639696 883468924 /nfs/dbraw/zinc/46/89/24/883468924.db2.gz LAZQJEPWJUKTPR-NRFANRHFSA-N 1 0 380.467 3.724 20 30 GHEDRO C[NH+](C)C1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000193771756 883486446 /nfs/dbraw/zinc/48/64/46/883486446.db2.gz RUEWJXIXBOOEJH-UHFFFAOYSA-N 1 0 392.503 3.890 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(CSC3CCOCC3)c2)CC1 ZINC000609715842 883590485 /nfs/dbraw/zinc/59/04/85/883590485.db2.gz UCKJPBVRUBYADC-UHFFFAOYSA-N 1 0 389.565 3.871 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000494783873 883600156 /nfs/dbraw/zinc/60/01/56/883600156.db2.gz HWAFQDWRZVEGGN-UHFFFAOYSA-N 1 0 377.488 3.981 20 30 GHEDRO C#CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000805094069 883605542 /nfs/dbraw/zinc/60/55/42/883605542.db2.gz HUUKILMWXRYMBP-QZNYNHHHSA-N 1 0 394.968 3.587 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000805172701 883653664 /nfs/dbraw/zinc/65/36/64/883653664.db2.gz YVBWKUKKKFATJM-TUACAJSNSA-N 1 0 389.543 3.831 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000805176471 883656345 /nfs/dbraw/zinc/65/63/45/883656345.db2.gz JQXPXPQTDNDUJT-TUACAJSNSA-N 1 0 389.543 3.973 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214586 883667203 /nfs/dbraw/zinc/66/72/03/883667203.db2.gz LCRSOUPTIHEVPG-GOSISDBHSA-N 1 0 396.510 3.654 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000859246243 883692171 /nfs/dbraw/zinc/69/21/71/883692171.db2.gz PCFQLYNZDDOKFU-FUHWJXTLSA-N 1 0 382.426 3.566 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1 ZINC000859250435 883693377 /nfs/dbraw/zinc/69/33/77/883693377.db2.gz JYUSKYVEXZHMEZ-UHFFFAOYSA-N 1 0 379.504 3.595 20 30 GHEDRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](C[NH2+]C1CC(C#N)(c3ccccc3)C1)O2 ZINC001183708734 912749012 /nfs/dbraw/zinc/74/90/12/912749012.db2.gz LQGCPJMVCXGLEX-XHDACNSPSA-N 1 0 396.531 3.869 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@](O)(c3ccccc3)C2)cc1Cl ZINC000859588098 883917718 /nfs/dbraw/zinc/91/77/18/883917718.db2.gz SCCPFVISZGLCBF-OAQYLSRUSA-N 1 0 383.879 3.524 20 30 GHEDRO C[N@H+](CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1CCCC1 ZINC000609214157 883930208 /nfs/dbraw/zinc/93/02/08/883930208.db2.gz PVORHBTVXAOEMG-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C=C(C)[C@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccc(F)c(F)c1 ZINC000556179022 884027032 /nfs/dbraw/zinc/02/70/32/884027032.db2.gz MWLSJKLGCZARQA-PMACEKPBSA-N 1 0 392.471 3.897 20 30 GHEDRO C#C[C@@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1ccc(Cl)cc1F ZINC000805778931 884061578 /nfs/dbraw/zinc/06/15/78/884061578.db2.gz MKDLZRLAQGPYJZ-LJQANCHMSA-N 1 0 391.874 3.910 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000805793821 884080869 /nfs/dbraw/zinc/08/08/69/884080869.db2.gz KEBBALFEFFWJAY-QFIPXVFZSA-N 1 0 385.508 3.660 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793967 884081271 /nfs/dbraw/zinc/08/12/71/884081271.db2.gz MHQDQZWCPRYLPA-AVRDEDQJSA-N 1 0 393.572 3.523 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805827211 884141171 /nfs/dbraw/zinc/14/11/71/884141171.db2.gz PDXLVWMAYLWINZ-RTWAWAEBSA-N 1 0 385.508 3.505 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000498361397 884154849 /nfs/dbraw/zinc/15/48/49/884154849.db2.gz ATPNJKPMMPACSJ-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)CCC1 ZINC000859954185 884201758 /nfs/dbraw/zinc/20/17/58/884201758.db2.gz GIQNTPVPYLQVRT-LEWJYISDSA-N 1 0 375.472 3.534 20 30 GHEDRO Cc1ccc(CSCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000498377375 884219911 /nfs/dbraw/zinc/21/99/11/884219911.db2.gz ZLJNCGULTWGKPB-UHFFFAOYSA-N 1 0 381.545 3.690 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000498386692 884247086 /nfs/dbraw/zinc/24/70/86/884247086.db2.gz BGDIABWRIIEANR-UHFFFAOYSA-N 1 0 375.561 3.674 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)ccc3O)CC2)C1=O ZINC001275242210 912803621 /nfs/dbraw/zinc/80/36/21/912803621.db2.gz SCWLXBQQBKVYQF-LJQANCHMSA-N 1 0 393.325 3.545 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000465462406 884327048 /nfs/dbraw/zinc/32/70/48/884327048.db2.gz BKQHAKXTPGCRKR-UXHICEINSA-N 1 0 393.535 3.683 20 30 GHEDRO N#CC1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccc(F)cc2)CCC1 ZINC001183794362 912823577 /nfs/dbraw/zinc/82/35/77/912823577.db2.gz MVXUBLDACIHEAD-YADHBBJMSA-N 1 0 391.490 3.851 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000495061752 884478640 /nfs/dbraw/zinc/47/86/40/884478640.db2.gz DFVSIAXJXSZYCK-XMSQKQJNSA-N 1 0 387.545 3.571 20 30 GHEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)cc1Cl ZINC000263257774 884586283 /nfs/dbraw/zinc/58/62/83/884586283.db2.gz LGHYEPDHWOUEDG-UHFFFAOYSA-N 1 0 391.924 3.549 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000102955023 884652726 /nfs/dbraw/zinc/65/27/26/884652726.db2.gz FRWZVQFGIPTJNH-UHFFFAOYSA-N 1 0 396.466 3.740 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000806430953 884666856 /nfs/dbraw/zinc/66/68/56/884666856.db2.gz GNUABGZMWWREQP-NRFANRHFSA-N 1 0 390.531 3.585 20 30 GHEDRO N#Cc1ccc(SCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000103004199 884682033 /nfs/dbraw/zinc/68/20/33/884682033.db2.gz GOGPXSFJZQOEBL-UHFFFAOYSA-N 1 0 397.569 3.880 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000533053868 884733021 /nfs/dbraw/zinc/73/30/21/884733021.db2.gz LZHMRXWWVXPPFU-BHIFYINESA-N 1 0 396.579 3.887 20 30 GHEDRO COc1c(Br)cc(CNCC(C)(C)C#N)cc1Br ZINC000168940078 884793872 /nfs/dbraw/zinc/79/38/72/884793872.db2.gz YFYTUUZCZSYDNU-UHFFFAOYSA-N 1 0 376.092 3.860 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604694 884856590 /nfs/dbraw/zinc/85/65/90/884856590.db2.gz GZILAYNOFXCVKG-NXEZZACHSA-N 1 0 385.333 3.621 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000106035128 884936638 /nfs/dbraw/zinc/93/66/38/884936638.db2.gz PTUDJXDWBAQWOP-ROUUACIJSA-N 1 0 377.326 3.709 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)CSc2ccccc2OC)CC1 ZINC000106271086 885024233 /nfs/dbraw/zinc/02/42/33/885024233.db2.gz NUTVSUYCDYRRCB-QGZVFWFLSA-N 1 0 391.581 3.763 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCOc2cccc(Cl)c2)CC1 ZINC000106276130 885025666 /nfs/dbraw/zinc/02/56/66/885025666.db2.gz JZYRBZJRANWFNI-UHFFFAOYSA-N 1 0 379.932 3.791 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000248883547 885027178 /nfs/dbraw/zinc/02/71/78/885027178.db2.gz RVOLYWAIECDNMI-NBGIEHNGSA-N 1 0 388.559 3.633 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000806917276 885087969 /nfs/dbraw/zinc/08/79/69/885087969.db2.gz IDIMSCQZZSJQML-OFNKIYASSA-N 1 0 375.516 3.742 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000495288633 885098151 /nfs/dbraw/zinc/09/81/51/885098151.db2.gz MKBBAWKNAJSINP-SFHVURJKSA-N 1 0 377.529 3.514 20 30 GHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1OC ZINC000498702541 885358719 /nfs/dbraw/zinc/35/87/19/885358719.db2.gz SCUCJDKQJNIIEB-UHFFFAOYSA-N 1 0 386.467 3.603 20 30 GHEDRO CCOC(=O)c1csc(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000191572234 885397336 /nfs/dbraw/zinc/39/73/36/885397336.db2.gz FKAVZQNAKZZLNQ-UHFFFAOYSA-N 1 0 399.516 3.840 20 30 GHEDRO C[C@@H](CCNC(=O)NC1(c2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000498722762 885487521 /nfs/dbraw/zinc/48/75/21/885487521.db2.gz QGQVVLCTBDCREB-SFHVURJKSA-N 1 0 376.504 3.757 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@@H](CCO)C2CCCCC2)sc2c1CCCCC2 ZINC000495390964 885647805 /nfs/dbraw/zinc/64/78/05/885647805.db2.gz JZJBZFGWOYGCFQ-SFHVURJKSA-N 1 0 389.565 3.748 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 ZINC000476434717 885794702 /nfs/dbraw/zinc/79/47/02/885794702.db2.gz JSEKZUYZDNCQMS-UHFFFAOYSA-N 1 0 378.929 3.572 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000495454657 885817098 /nfs/dbraw/zinc/81/70/98/885817098.db2.gz KPCSMZHBKJFAJF-RTBURBONSA-N 1 0 375.561 3.815 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000808111806 886020539 /nfs/dbraw/zinc/02/05/39/886020539.db2.gz REIGTOZRHSXXIJ-ZROIWOOFSA-N 1 0 389.499 3.703 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000498887646 886032989 /nfs/dbraw/zinc/03/29/89/886032989.db2.gz CSUHACZZUQUNMI-AVRDEDQJSA-N 1 0 388.515 3.900 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c(F)c1 ZINC000532568344 886125452 /nfs/dbraw/zinc/12/54/52/886125452.db2.gz NQCFCZUEBRSZSY-HNNXBMFYSA-N 1 0 379.357 3.964 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000498956699 886181489 /nfs/dbraw/zinc/18/14/89/886181489.db2.gz QXNZWCMQJDLTQV-UHFFFAOYSA-N 1 0 384.954 3.840 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCCSC)cc1 ZINC000762439957 886224978 /nfs/dbraw/zinc/22/49/78/886224978.db2.gz PJVFMVXXHYHSQD-UHFFFAOYSA-O 1 0 398.577 3.962 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000556836825 886303103 /nfs/dbraw/zinc/30/31/03/886303103.db2.gz CAKHVIITKOXULF-BHDDXSALSA-N 1 0 380.513 3.600 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000644094126 913034201 /nfs/dbraw/zinc/03/42/01/913034201.db2.gz SJICIXUYIUIKJY-INIZCTEOSA-N 1 0 394.393 3.709 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)C1 ZINC000862443475 886385650 /nfs/dbraw/zinc/38/56/50/886385650.db2.gz PJZNYEWRHWHUHF-LJQANCHMSA-N 1 0 392.499 3.948 20 30 GHEDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(O[C@@H]2CCOC2)c1 ZINC000556860648 886395482 /nfs/dbraw/zinc/39/54/82/886395482.db2.gz TUUGJXGXZSYTGF-HSZRJFAPSA-N 1 0 391.515 3.793 20 30 GHEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000862548598 886458910 /nfs/dbraw/zinc/45/89/10/886458910.db2.gz IOOSJRWLURXUOA-YPMHNXCESA-N 1 0 376.806 3.704 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C)cc2OCC(F)(F)F)CC1 ZINC000119128797 886479800 /nfs/dbraw/zinc/47/98/00/886479800.db2.gz WDDSCMNTFLECNM-UHFFFAOYSA-N 1 0 399.457 3.776 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000556896194 886495162 /nfs/dbraw/zinc/49/51/62/886495162.db2.gz FZHDFFKPHILVPD-IIBYNOLFSA-N 1 0 377.463 3.508 20 30 GHEDRO C=CCNc1ncc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000131927505 886604148 /nfs/dbraw/zinc/60/41/48/886604148.db2.gz HUKPEVTXVKKAKC-INIZCTEOSA-N 1 0 376.570 3.858 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1cccs1 ZINC000487971544 886616970 /nfs/dbraw/zinc/61/69/70/886616970.db2.gz WLUSPRPXLYRQFU-CQSZACIVSA-N 1 0 393.310 3.807 20 30 GHEDRO N#CCC[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000132021664 886644057 /nfs/dbraw/zinc/64/40/57/886644057.db2.gz GPACRYOGNQHKKX-YADHBBJMSA-N 1 0 376.504 3.995 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000287064829 913073338 /nfs/dbraw/zinc/07/33/38/913073338.db2.gz POJMZZXKABTEBF-RXVVDRJESA-N 1 0 396.535 3.591 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC(C)(C)CC#N)CC1 ZINC000459241733 886767968 /nfs/dbraw/zinc/76/79/68/886767968.db2.gz XJPRBXRSWVEOIM-UHFFFAOYSA-N 1 0 377.920 3.543 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)Cc1ccc(C#N)cc1 ZINC000808827630 886830666 /nfs/dbraw/zinc/83/06/66/886830666.db2.gz VAYGQOCNOYISIY-UHFFFAOYSA-N 1 0 393.487 3.547 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)CC#N ZINC000459260451 886897152 /nfs/dbraw/zinc/89/71/52/886897152.db2.gz QIROWUJLLSXFFV-UHFFFAOYSA-N 1 0 384.446 3.718 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2C)CC1 ZINC000863198968 886916053 /nfs/dbraw/zinc/91/60/53/886916053.db2.gz XGJORRDNMYYGNU-LJQANCHMSA-N 1 0 389.337 3.766 20 30 GHEDRO C[C@@H](Nc1nc2ccc(C(F)(F)F)cc2c(Cl)c1C#N)[C@@H]1C[NH2+]CCO1 ZINC001170570934 887095523 /nfs/dbraw/zinc/09/55/23/887095523.db2.gz ONDWXFMCXOWEGL-OTYXRUKQSA-N 1 0 384.789 3.567 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000863434778 887106966 /nfs/dbraw/zinc/10/69/66/887106966.db2.gz UURUIICJGTTXOJ-NRFANRHFSA-N 1 0 379.479 3.610 20 30 GHEDRO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000129041019 887253935 /nfs/dbraw/zinc/25/39/35/887253935.db2.gz HMUKMFJWNMPVKI-IBGZPJMESA-N 1 0 377.488 3.634 20 30 GHEDRO C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(C[NH+](C)C)c1 ZINC000863984721 887497652 /nfs/dbraw/zinc/49/76/52/887497652.db2.gz IXCKXURCHMBKED-KRWDZBQOSA-N 1 0 378.520 3.754 20 30 GHEDRO C#Cc1ccc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000809540935 887529002 /nfs/dbraw/zinc/52/90/02/887529002.db2.gz MIWSJXDLKJUDDH-UHFFFAOYSA-N 1 0 392.528 3.530 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H](O)c1ccccc1 ZINC000794603375 887666878 /nfs/dbraw/zinc/66/68/78/887666878.db2.gz LGULCQFGMGFFCN-PNHOKKKMSA-N 1 0 397.544 3.783 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000532681632 887692347 /nfs/dbraw/zinc/69/23/47/887692347.db2.gz FOVVVIQGVHGYLX-NRFANRHFSA-N 1 0 376.504 3.737 20 30 GHEDRO C[C@@H]1CN(c2ccccc2C[NH2+]CCSCc2ccccc2C#N)CCO1 ZINC000459367751 887741649 /nfs/dbraw/zinc/74/16/49/887741649.db2.gz CCJDKMUPSKHTOG-GOSISDBHSA-N 1 0 381.545 3.806 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)CC1 ZINC000171741928 887743770 /nfs/dbraw/zinc/74/37/70/887743770.db2.gz SZTZDBNHXODTSJ-HXUWFJFHSA-N 1 0 381.524 3.553 20 30 GHEDRO COc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1OC1CCCC1 ZINC000120044834 887769667 /nfs/dbraw/zinc/76/96/67/887769667.db2.gz RALAZJZFHYSDRW-UHFFFAOYSA-N 1 0 388.512 3.716 20 30 GHEDRO COC(=O)c1cccc(NC2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000809754434 887794470 /nfs/dbraw/zinc/79/44/70/887794470.db2.gz ATHZDOQSWUAARX-QGZVFWFLSA-N 1 0 393.487 3.841 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000266067633 887868193 /nfs/dbraw/zinc/86/81/93/887868193.db2.gz KGECGDOMXMMDRL-SFHVURJKSA-N 1 0 376.500 3.885 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134789175 887912693 /nfs/dbraw/zinc/91/26/93/887912693.db2.gz JDCKCHFDJGYVAG-ZWKOTPCHSA-N 1 0 387.480 3.676 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)cc1C)CC2 ZINC001275309492 913231739 /nfs/dbraw/zinc/23/17/39/913231739.db2.gz ZVMWQTBFSASSAD-KRWDZBQOSA-N 1 0 377.326 3.662 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532699120 888310526 /nfs/dbraw/zinc/31/05/26/888310526.db2.gz ALNKTMMTLDGQJM-OLMMMNRUSA-N 1 0 388.943 3.876 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)c(OC[C@@H]2CCOC2)c1 ZINC000865487601 888381821 /nfs/dbraw/zinc/38/18/21/888381821.db2.gz HPHYPFYERYBYFV-LJQANCHMSA-N 1 0 379.504 3.638 20 30 GHEDRO CC(C)([NH3+])CN(c1ccc(-c2ccc(C#N)o2)cc1)S(=O)(=O)c1ccccc1 ZINC001170610653 888662399 /nfs/dbraw/zinc/66/23/99/888662399.db2.gz WNGVKWSNXKZKSC-UHFFFAOYSA-N 1 0 395.484 3.751 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc3nccnc3c2)no1 ZINC001211975611 888772205 /nfs/dbraw/zinc/77/22/05/888772205.db2.gz MACPMWGNRRVNPY-LPHOPBHVSA-N 1 0 381.480 3.758 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000866261473 888804668 /nfs/dbraw/zinc/80/46/68/888804668.db2.gz UAROXGURCDXMCN-JKSUJKDBSA-N 1 0 382.483 3.567 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000245515110 888832613 /nfs/dbraw/zinc/83/26/13/888832613.db2.gz GTVZSRHUQVKOEI-IEBWSBKVSA-N 1 0 378.476 3.532 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)C=NN1C(=S)N=NC1[C@@H]1CCCCO1 ZINC000747632632 888895276 /nfs/dbraw/zinc/89/52/76/888895276.db2.gz ODXCMTURNSMBPD-KRWDZBQOSA-N 1 0 387.553 3.801 20 30 GHEDRO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000454354744 888898748 /nfs/dbraw/zinc/89/87/48/888898748.db2.gz ZIIDAZDORPLVLI-OALUTQOASA-N 1 0 376.504 3.783 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)O[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000810850514 888912318 /nfs/dbraw/zinc/91/23/18/888912318.db2.gz MHLRQNBHHCEGBM-RBBKRZOGSA-N 1 0 376.456 3.921 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000810843529 888934364 /nfs/dbraw/zinc/93/43/64/888934364.db2.gz GAEAEBLEZBILQZ-IFMALSPDSA-N 1 0 376.456 3.921 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287376616 913299169 /nfs/dbraw/zinc/29/91/69/913299169.db2.gz ZPPWWXDZGCIVFO-GFCCVEGCSA-N 1 0 379.302 3.515 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C#N)c(C)c3)CCCC2)cc1OC ZINC000488115299 889037031 /nfs/dbraw/zinc/03/70/31/889037031.db2.gz VSQIPJGZLQSEHC-UHFFFAOYSA-N 1 0 393.487 3.925 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1sccc1CC#N)c1cccc(C(F)(F)F)c1 ZINC000867462590 889060406 /nfs/dbraw/zinc/06/04/06/889060406.db2.gz GCQCDDDOGQTRTG-OAHLLOKOSA-N 1 0 381.423 3.866 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000154045852 889099391 /nfs/dbraw/zinc/09/93/91/889099391.db2.gz GUEJVALZGLFUKA-INIZCTEOSA-N 1 0 397.441 3.580 20 30 GHEDRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867941856 889230857 /nfs/dbraw/zinc/23/08/57/889230857.db2.gz KONZFHMJKYINLD-BFUOFWGJSA-N 1 0 376.485 3.574 20 30 GHEDRO Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc(Cl)n1 ZINC000868052067 889271632 /nfs/dbraw/zinc/27/16/32/889271632.db2.gz NGBLNBXFAWSOSZ-PBHICJAKSA-N 1 0 396.800 3.725 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000868115822 889303355 /nfs/dbraw/zinc/30/33/55/889303355.db2.gz DIXFISGYFURFQA-RTBURBONSA-N 1 0 392.459 3.717 20 30 GHEDRO C[C@@H](NC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000868116290 889303443 /nfs/dbraw/zinc/30/34/43/889303443.db2.gz BXGIBQHKFKTKMQ-GOSISDBHSA-N 1 0 388.515 3.808 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C#N)cc1 ZINC000532933438 889317583 /nfs/dbraw/zinc/31/75/83/889317583.db2.gz BLWULZIFAKFIHS-UHFFFAOYSA-N 1 0 392.459 3.514 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)o2)c1 ZINC000533065449 889666348 /nfs/dbraw/zinc/66/63/48/889666348.db2.gz NMHMFSIFJMYKJG-UHFFFAOYSA-N 1 0 384.443 3.864 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCc3ccccc3)CC2)c(F)c1Br ZINC001184703370 913369977 /nfs/dbraw/zinc/36/99/77/913369977.db2.gz OEMVAEGZXWBJNC-UHFFFAOYSA-N 1 0 388.284 3.825 20 30 GHEDRO C[C@H](O)C[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000122410624 889758056 /nfs/dbraw/zinc/75/80/56/889758056.db2.gz XBENBIXOKZOGLP-WMLDXEAASA-N 1 0 395.425 3.544 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)CC1 ZINC000173593677 889793194 /nfs/dbraw/zinc/79/31/94/889793194.db2.gz HPXFXDQWRMRYPW-IBGZPJMESA-N 1 0 379.508 3.552 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3ncc(C#N)c4ccsc43)CC2)cc1 ZINC001184681594 913386160 /nfs/dbraw/zinc/38/61/60/913386160.db2.gz PQQDTQCNFGJVHE-UHFFFAOYSA-N 1 0 378.501 3.889 20 30 GHEDRO C=CCCCCC[N@H+]1CC[C@@]2(C1)CN(C[C@@H](C)CC(F)(F)F)C(=O)CO2 ZINC001275329095 913391404 /nfs/dbraw/zinc/39/14/04/913391404.db2.gz MAJKJJMJCHPGLN-FUHWJXTLSA-N 1 0 376.463 3.625 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)CC(C)(C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000236823156 890123056 /nfs/dbraw/zinc/12/30/56/890123056.db2.gz RZWDZXDMGYQDJD-UHFFFAOYSA-N 1 0 396.487 3.683 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000533286203 890187918 /nfs/dbraw/zinc/18/79/18/890187918.db2.gz AORGSKWMSOXNMA-UHFFFAOYSA-N 1 0 383.517 3.877 20 30 GHEDRO COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000916894855 890384348 /nfs/dbraw/zinc/38/43/48/890384348.db2.gz VNTGXUSXFQVDCR-OAQYLSRUSA-N 1 0 391.471 3.642 20 30 GHEDRO C=CCCCCCCCCN1CC2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001275342444 913467960 /nfs/dbraw/zinc/46/79/60/913467960.db2.gz WEVSAOYOZQKWHQ-UHFFFAOYSA-N 1 0 376.463 3.769 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4cc(F)cc(F)c4C3)CC2)cc1 ZINC001170678125 890688318 /nfs/dbraw/zinc/68/83/18/890688318.db2.gz VSSYWGHRPVSXKV-HXUWFJFHSA-N 1 0 395.453 3.588 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000246265001 890886691 /nfs/dbraw/zinc/88/66/91/890886691.db2.gz PFXUCVRBJJKNLL-ROUUACIJSA-N 1 0 386.565 3.580 20 30 GHEDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1 ZINC000812774533 890950652 /nfs/dbraw/zinc/95/06/52/890950652.db2.gz QOFNPLLRIMPELN-UZUQRXQVSA-N 1 0 380.488 3.932 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000871642594 890957213 /nfs/dbraw/zinc/95/72/13/890957213.db2.gz LOJAXTNFFBCNEA-SQNIBIBYSA-N 1 0 376.570 3.542 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871642591 890957295 /nfs/dbraw/zinc/95/72/95/890957295.db2.gz LOJAXTNFFBCNEA-BZSNNMDCSA-N 1 0 376.570 3.542 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)ccc1OC ZINC000123752907 890979067 /nfs/dbraw/zinc/97/90/67/890979067.db2.gz ABPJLGWSFHTBFP-GOSISDBHSA-N 1 0 377.444 3.920 20 30 GHEDRO CCN(C(=O)Nc1cc(CC#N)ccn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000871725991 890992081 /nfs/dbraw/zinc/99/20/81/890992081.db2.gz DLDTUDXEIKSPAF-FXAWDEMLSA-N 1 0 377.492 3.837 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812880375 891060387 /nfs/dbraw/zinc/06/03/87/891060387.db2.gz ISRPDGDHEQXIHE-UGKGYDQZSA-N 1 0 379.479 3.711 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4c[nH]c5c4cccc5F)C3)CC2=O)c1 ZINC001137056293 891157017 /nfs/dbraw/zinc/15/70/17/891157017.db2.gz ONZRGLSBHUZMEZ-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO CC(C)CCOC1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000917128882 891388735 /nfs/dbraw/zinc/38/87/35/891388735.db2.gz VLHUYLLNOOMZDY-IBGZPJMESA-N 1 0 392.503 3.751 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873049580 891444808 /nfs/dbraw/zinc/44/48/08/891444808.db2.gz CIYMUUQWPZEXQV-OAQYLSRUSA-N 1 0 390.487 3.911 20 30 GHEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000873194090 891517563 /nfs/dbraw/zinc/51/75/63/891517563.db2.gz UOPRIKUYIZLEOK-QHCPKHFHSA-N 1 0 382.504 3.588 20 30 GHEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000747852741 891560293 /nfs/dbraw/zinc/56/02/93/891560293.db2.gz DMUUXONVGFPXAT-IBGZPJMESA-N 1 0 382.570 3.549 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1C ZINC000128330057 891675113 /nfs/dbraw/zinc/67/51/13/891675113.db2.gz AZAHXENMFLTAFR-CTNGQTDRSA-N 1 0 379.508 3.520 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC(C)(C)C)cc1 ZINC000127684168 891686347 /nfs/dbraw/zinc/68/63/47/891686347.db2.gz LMCAOVOTLLWFNS-UHFFFAOYSA-O 1 0 392.495 3.645 20 30 GHEDRO CC[N@H+](CC(=O)N1CCN(c2cccc(C)c2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594300 891956005 /nfs/dbraw/zinc/95/60/05/891956005.db2.gz VHGOBBRYYDIZJU-FQEVSTJZSA-N 1 0 390.531 3.598 20 30 GHEDRO CS[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1[NH+](C)C ZINC000497653324 892104948 /nfs/dbraw/zinc/10/49/48/892104948.db2.gz YGFJPSQDMYMEIM-PMACEKPBSA-N 1 0 396.516 3.860 20 30 GHEDRO CC(C)(O)C[NH+]1CCC(N=Nc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000814222456 892415505 /nfs/dbraw/zinc/41/55/05/892415505.db2.gz MTAGLZKLIPKUJL-UHFFFAOYSA-N 1 0 386.443 3.950 20 30 GHEDRO C=CCn1c(C)nn(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1=S ZINC000814223980 892416092 /nfs/dbraw/zinc/41/60/92/892416092.db2.gz XMVLSEBIUXFTKQ-UHFFFAOYSA-N 1 0 397.592 3.854 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000875042343 892426970 /nfs/dbraw/zinc/42/69/70/892426970.db2.gz RJADSXZMEPMKFT-QGZVFWFLSA-N 1 0 382.430 3.581 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192461147 892477495 /nfs/dbraw/zinc/47/74/95/892477495.db2.gz YUKDCDMABZPILD-UHFFFAOYSA-N 1 0 385.464 3.682 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000272546492 892910199 /nfs/dbraw/zinc/91/01/99/892910199.db2.gz HRAJPIRWZUCSLX-GOSISDBHSA-N 1 0 376.504 3.675 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000933248893 892976727 /nfs/dbraw/zinc/97/67/27/892976727.db2.gz NYVYSLRVMCZQRU-ROUUACIJSA-N 1 0 388.581 3.681 20 30 GHEDRO OC[C@H](CC(F)F)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000428638829 892978328 /nfs/dbraw/zinc/97/83/28/892978328.db2.gz HAECSGPQSFXBRW-CABZTGNLSA-N 1 0 381.263 3.664 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000814674001 893050578 /nfs/dbraw/zinc/05/05/78/893050578.db2.gz MXPQNELLCMKWNE-RBUKOAKNSA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(OCC(F)(F)F)nn3)CC2)cc1 ZINC000933606672 893096807 /nfs/dbraw/zinc/09/68/07/893096807.db2.gz LJEHDTXBOWRNJH-UHFFFAOYSA-N 1 0 376.382 3.669 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)cc1 ZINC000897542477 893160598 /nfs/dbraw/zinc/16/05/98/893160598.db2.gz UWTBWUBWQFFTBA-UHFFFAOYSA-N 1 0 380.479 3.780 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876608634 893252777 /nfs/dbraw/zinc/25/27/77/893252777.db2.gz CLMUEVHQVGRWJS-UHFFFAOYSA-N 1 0 385.533 3.756 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455781253 893266427 /nfs/dbraw/zinc/26/64/27/893266427.db2.gz IWJOOBJFUYDJIS-GJZGRUSLSA-N 1 0 375.904 3.725 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000563013897 893278300 /nfs/dbraw/zinc/27/83/00/893278300.db2.gz NHHSZMPMQKWHQM-YJBOKZPZSA-N 1 0 392.421 3.732 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455788869 893282599 /nfs/dbraw/zinc/28/25/99/893282599.db2.gz OOLZRRHSLUTDGK-KDOFPFPSSA-N 1 0 383.883 3.639 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455788862 893283122 /nfs/dbraw/zinc/28/31/22/893283122.db2.gz OOLZRRHSLUTDGK-KBXCAEBGSA-N 1 0 383.883 3.639 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000876757312 893315825 /nfs/dbraw/zinc/31/58/25/893315825.db2.gz BUOBQTRXRUWOFO-INIZCTEOSA-N 1 0 390.742 3.544 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1Cl ZINC000563068264 893336375 /nfs/dbraw/zinc/33/63/75/893336375.db2.gz MFCALBOSXVIGID-YLJYHZDGSA-N 1 0 389.927 3.786 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876987352 893421175 /nfs/dbraw/zinc/42/11/75/893421175.db2.gz UVMCZUBHSVSGFI-UHFFFAOYSA-N 1 0 382.533 3.780 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000876994269 893424138 /nfs/dbraw/zinc/42/41/38/893424138.db2.gz FQBLWWXIUYVTEC-HIFRSBDPSA-N 1 0 378.904 3.732 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459398722 893425706 /nfs/dbraw/zinc/42/57/06/893425706.db2.gz FVVRYDCZJXQDIV-YPGOJHLTSA-N 1 0 378.476 3.713 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071025 893468516 /nfs/dbraw/zinc/46/85/16/893468516.db2.gz BLHKXGWRZKGBOT-IRXDYDNUSA-N 1 0 393.478 3.945 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000877119629 893494040 /nfs/dbraw/zinc/49/40/40/893494040.db2.gz JKRAVKUDDJZPLC-MOPGFXCFSA-N 1 0 380.883 3.664 20 30 GHEDRO C=CC[N@@H+](C/C=C\c1ccccc1OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536676350 893514373 /nfs/dbraw/zinc/51/43/73/893514373.db2.gz MZWKYZZQWXPHRY-IBWPDUFMSA-N 1 0 375.476 3.933 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877272809 893549027 /nfs/dbraw/zinc/54/90/27/893549027.db2.gz ARBJIYFJGGVFAZ-STQMWFEESA-N 1 0 398.322 3.943 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000877313038 893559369 /nfs/dbraw/zinc/55/93/69/893559369.db2.gz PGLJNEQJFASKCQ-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459471792 893609180 /nfs/dbraw/zinc/60/91/80/893609180.db2.gz VMUCPUZTYJISFQ-JOCHJYFZSA-N 1 0 376.460 3.564 20 30 GHEDRO COc1cc(Cl)cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000498220707 893632749 /nfs/dbraw/zinc/63/27/49/893632749.db2.gz CAZMNPXMLVAKEU-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[N@@H+]1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000877540423 893676203 /nfs/dbraw/zinc/67/62/03/893676203.db2.gz YRVSLFPYOUDHNO-MBOZVWFJSA-N 1 0 379.545 3.568 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000877579367 893701911 /nfs/dbraw/zinc/70/19/11/893701911.db2.gz QCVOMEUIGNYBCZ-QRQLOZEOSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000877588763 893705032 /nfs/dbraw/zinc/70/50/32/893705032.db2.gz XXYBWNFHJZLVMY-NZSAHSFTSA-N 1 0 379.545 3.711 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C1CCOCC1 ZINC000877637765 893736020 /nfs/dbraw/zinc/73/60/20/893736020.db2.gz LYQOTFIMXIGSJF-HSALFYBXSA-N 1 0 391.353 3.602 20 30 GHEDRO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000877915389 893891938 /nfs/dbraw/zinc/89/19/38/893891938.db2.gz FQQXQZKPZDKBKL-QHCPKHFHSA-N 1 0 380.488 3.966 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000878260678 894136026 /nfs/dbraw/zinc/13/60/26/894136026.db2.gz ZMDFMDHIRGRWDI-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO N#Cc1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC000815733918 894184716 /nfs/dbraw/zinc/18/47/16/894184716.db2.gz JJFOEHHWWBPQPB-MRXNPFEDSA-N 1 0 391.393 3.678 20 30 GHEDRO C=CCCc1ccc(C(=O)N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(=O)[nH]1 ZINC001185371480 913846943 /nfs/dbraw/zinc/84/69/43/913846943.db2.gz IQPGCRKZZFXSJD-UAPYVXQJSA-N 1 0 397.494 3.957 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878385188 894248927 /nfs/dbraw/zinc/24/89/27/894248927.db2.gz VDTZQSFQEIMYLT-WCAVRKLYSA-N 1 0 399.535 3.662 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000537059427 894251403 /nfs/dbraw/zinc/25/14/03/894251403.db2.gz ICQAPCAMERVGNU-ICSRJNTNSA-N 1 0 377.488 3.691 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)ccc1OCC(C)C ZINC000537069252 894291506 /nfs/dbraw/zinc/29/15/06/894291506.db2.gz JIZYIYOPDXKKEU-KRWDZBQOSA-N 1 0 395.503 3.569 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000563921437 894327162 /nfs/dbraw/zinc/32/71/62/894327162.db2.gz BRZRHOIVGUXMIC-HSZRJFAPSA-N 1 0 391.515 3.588 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(O)(Cc2cccc(C)c2)CC1)c1ccccc1 ZINC000878537880 894370025 /nfs/dbraw/zinc/37/00/25/894370025.db2.gz UFMJZUVXPOGTEK-VWLOTQADSA-N 1 0 390.527 3.805 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001135566709 894803000 /nfs/dbraw/zinc/80/30/00/894803000.db2.gz RSRDCKUFXDBZPS-RTBURBONSA-N 1 0 389.540 3.655 20 30 GHEDRO C[C@@H]1[C@@H](OC(=O)Cc2cccc(OCC#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000816470398 894830440 /nfs/dbraw/zinc/83/04/40/894830440.db2.gz NCGMDYQTPUCGEA-GCJKJVERSA-N 1 0 378.472 3.728 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000879105192 894839300 /nfs/dbraw/zinc/83/93/00/894839300.db2.gz WIIPQYLDLXCZOC-GOSISDBHSA-N 1 0 379.545 3.856 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000879243380 894926544 /nfs/dbraw/zinc/92/65/44/894926544.db2.gz XLTAEQDVDNJNIZ-UHFFFAOYSA-N 1 0 385.512 3.636 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000537409048 894928867 /nfs/dbraw/zinc/92/88/67/894928867.db2.gz YUFADDSTNUQKKK-NSHDSACASA-N 1 0 376.229 3.749 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)cc1 ZINC000564577172 895093041 /nfs/dbraw/zinc/09/30/41/895093041.db2.gz QUYGMAAQJFMQNK-FQEVSTJZSA-N 1 0 383.536 3.635 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000564813863 895262692 /nfs/dbraw/zinc/26/26/92/895262692.db2.gz YKTRLGOAUHNZKG-PKTZIBPZSA-N 1 0 388.515 3.888 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CSc4ccccc4O3)CC2)cc1 ZINC000564960717 895327561 /nfs/dbraw/zinc/32/75/61/895327561.db2.gz GXUGWYYTYDGTQP-FQEVSTJZSA-N 1 0 379.529 3.666 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H](CF)C2)c1C#N ZINC000880234973 895587767 /nfs/dbraw/zinc/58/77/67/895587767.db2.gz MGAOBXJOLNLFMW-QGZVFWFLSA-N 1 0 386.471 3.628 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000880467801 895721447 /nfs/dbraw/zinc/72/14/47/895721447.db2.gz JYLSAXRTJGNSFY-RHSMWYFYSA-N 1 0 375.538 3.622 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cc(C#N)c(F)cc2F)C1 ZINC000880715939 895827514 /nfs/dbraw/zinc/82/75/14/895827514.db2.gz JCPWLGDXHMBAJB-HUUCEWRRSA-N 1 0 376.451 3.955 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000565757772 895856011 /nfs/dbraw/zinc/85/60/11/895856011.db2.gz PWEJNAYSOHNMJK-ZWOKBUDYSA-N 1 0 378.524 3.564 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC001136081968 895993843 /nfs/dbraw/zinc/99/38/43/895993843.db2.gz XODKFNQGQWLRTO-AUSIDOKSSA-N 1 0 377.532 3.806 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880925896 896002909 /nfs/dbraw/zinc/00/29/09/896002909.db2.gz XGISGMJEIJGLGW-MRXNPFEDSA-N 1 0 382.430 3.677 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1 ZINC000881120150 896163043 /nfs/dbraw/zinc/16/30/43/896163043.db2.gz TVSRLKTXHBJPPC-UHFFFAOYSA-N 1 0 382.508 3.544 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)n2cc(C[NH2+]C3CCCCC3)nn2)cc1 ZINC000881172902 896220906 /nfs/dbraw/zinc/22/09/06/896220906.db2.gz AFOSEBOWVLNUIA-SFHVURJKSA-N 1 0 394.523 3.517 20 30 GHEDRO COc1ccc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2OC)c(C#N)c1 ZINC001212786258 896275880 /nfs/dbraw/zinc/27/58/80/896275880.db2.gz MIYJWCYOJJUVPM-UHFFFAOYSA-N 1 0 380.492 3.849 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818941035 896284814 /nfs/dbraw/zinc/28/48/14/896284814.db2.gz BNAXSGNXYAMVTA-SFHVURJKSA-N 1 0 391.334 3.877 20 30 GHEDRO C=CC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccncc1 ZINC000819074605 896389001 /nfs/dbraw/zinc/38/90/01/896389001.db2.gz SEFIWALWCKVQPN-FUHWJXTLSA-N 1 0 395.272 3.630 20 30 GHEDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC(=O)N1Cc1ccccc1 ZINC000566710351 896512031 /nfs/dbraw/zinc/51/20/31/896512031.db2.gz WCJGMSHCXOQIEP-KUHUBIRLSA-N 1 0 387.405 3.856 20 30 GHEDRO N#CCC[NH2+]C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000819270442 896557717 /nfs/dbraw/zinc/55/77/17/896557717.db2.gz ZHSCJRGIQNQIOB-GOSISDBHSA-N 1 0 379.287 3.964 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000566825192 896603875 /nfs/dbraw/zinc/60/38/75/896603875.db2.gz IXWMAVQHLNBBIJ-RBUKOAKNSA-N 1 0 388.519 3.625 20 30 GHEDRO COc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC001136223083 896676459 /nfs/dbraw/zinc/67/64/59/896676459.db2.gz DOEITJQDYFCSJB-KRWDZBQOSA-N 1 0 377.488 3.729 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 ZINC000819433059 896733458 /nfs/dbraw/zinc/73/34/58/896733458.db2.gz HOAAOIILJOAMAI-SFHVURJKSA-N 1 0 388.512 3.582 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)s1 ZINC000819480530 896748883 /nfs/dbraw/zinc/74/88/83/896748883.db2.gz CBOVHIXGYSQDOJ-GFCCVEGCSA-N 1 0 385.986 3.605 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)C1 ZINC001137180010 896867556 /nfs/dbraw/zinc/86/75/56/896867556.db2.gz NESJEWDWADPZKL-QFIPXVFZSA-N 1 0 381.476 3.551 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)C2=O)cc1 ZINC000567283648 897033806 /nfs/dbraw/zinc/03/38/06/897033806.db2.gz NTCPTWPSAVTOGV-QPPBQGQZSA-N 1 0 387.483 3.523 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000796283145 914133674 /nfs/dbraw/zinc/13/36/74/914133674.db2.gz PRDGTXGXJHOMHU-UZKOGDIHSA-N 1 0 384.483 3.688 20 30 GHEDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000805749561 897362784 /nfs/dbraw/zinc/36/27/84/897362784.db2.gz NYYVXHOTGORYHW-FQELHTAISA-N 1 0 383.455 3.702 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1ccccc1 ZINC000131238150 897375320 /nfs/dbraw/zinc/37/53/20/897375320.db2.gz BNRZBWJLRQLWDB-UHFFFAOYSA-O 1 0 389.566 3.653 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]([C@H]2CCOC2)C1 ZINC000883221022 897380572 /nfs/dbraw/zinc/38/05/72/897380572.db2.gz SPXQVZNRRXZJFF-VWAQSERHSA-N 1 0 391.556 3.568 20 30 GHEDRO CC(C)Cc1ccc(C(=O)C(C(=S)NCc2ccon2)[n+]2ccccc2)cc1 ZINC000131246913 897384744 /nfs/dbraw/zinc/38/47/44/897384744.db2.gz ADWDTDMXUIRGEB-UHFFFAOYSA-O 1 0 394.520 3.889 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000567763119 897384969 /nfs/dbraw/zinc/38/49/69/897384969.db2.gz NZWQSGOTBITDRL-XXBNENTESA-N 1 0 390.531 3.853 20 30 GHEDRO CC(C)(C)OC(=O)CC[N@H+](CC#Cc1ccc(Cl)cc1)C1CCOCC1 ZINC000567791479 897400180 /nfs/dbraw/zinc/40/01/80/897400180.db2.gz SQMCXBOHGPGGKE-UHFFFAOYSA-N 1 0 377.912 3.904 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(Cc1cnc3cccc(C)n13)CC2 ZINC001137194519 897830063 /nfs/dbraw/zinc/83/00/63/897830063.db2.gz UDHJNOCQEKCBSU-UHFFFAOYSA-N 1 0 391.519 3.510 20 30 GHEDRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000821369443 897834664 /nfs/dbraw/zinc/83/46/64/897834664.db2.gz UHXHDQHTPACHKV-UHFFFAOYSA-N 1 0 386.540 3.765 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](c1ccc(OC)nc1)C1CC1 ZINC000626180499 897871921 /nfs/dbraw/zinc/87/19/21/897871921.db2.gz SGOOAWWMPODEAA-FOIQADDNSA-N 1 0 385.533 3.796 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000132752189 897893219 /nfs/dbraw/zinc/89/32/19/897893219.db2.gz LSABRJIRFIOCSU-VXKWHMMOSA-N 1 0 384.474 3.850 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000568605362 897977110 /nfs/dbraw/zinc/97/71/10/897977110.db2.gz KAZZFYFSPBMMAU-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1nc(C)cs1 ZINC000105305232 898205512 /nfs/dbraw/zinc/20/55/12/898205512.db2.gz DFBHEGWJPPKTQM-LJQANCHMSA-N 1 0 397.548 3.692 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000568936298 898222838 /nfs/dbraw/zinc/22/28/38/898222838.db2.gz KCQTVYZHPCAFIC-INIZCTEOSA-N 1 0 381.480 3.987 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)c(F)c1 ZINC000289555297 914236843 /nfs/dbraw/zinc/23/68/43/914236843.db2.gz ITOWUWCROQTCAH-UHFFFAOYSA-N 1 0 377.423 3.526 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000569040107 898293564 /nfs/dbraw/zinc/29/35/64/898293564.db2.gz VLQBWBHZYPEWTN-UHFFFAOYSA-N 1 0 381.455 3.863 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000303071146 914260312 /nfs/dbraw/zinc/26/03/12/914260312.db2.gz OZWJDUMRVWQCFF-FQEVSTJZSA-N 1 0 382.454 3.839 20 30 GHEDRO N#Cc1cccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000155455414 898801645 /nfs/dbraw/zinc/80/16/45/898801645.db2.gz JZPXBVOGTBVHLK-HXUWFJFHSA-N 1 0 389.421 3.740 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)C2 ZINC000884100023 898869843 /nfs/dbraw/zinc/86/98/43/898869843.db2.gz HDWSBHNVIGVXAQ-WXNRQPJFSA-N 1 0 385.920 3.746 20 30 GHEDRO CCC[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884120467 898953551 /nfs/dbraw/zinc/95/35/51/898953551.db2.gz MJYLIBMVMYXEKC-YQSWOPOKSA-N 1 0 379.426 3.802 20 30 GHEDRO Cc1ccccc1Oc1ccccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884128571 899002214 /nfs/dbraw/zinc/00/22/14/899002214.db2.gz HPORGBWNAZUBIG-KPRXVCGWSA-N 1 0 375.472 3.543 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)s2)cc1 ZINC000113952262 899046770 /nfs/dbraw/zinc/04/67/70/899046770.db2.gz JGDAUEIZKZYWBX-UKRRQHHQSA-N 1 0 386.521 3.538 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000823489520 899058767 /nfs/dbraw/zinc/05/87/67/899058767.db2.gz HCEYNQZYSIJGIJ-REWPJTCUSA-N 1 0 379.504 3.904 20 30 GHEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884149387 899088472 /nfs/dbraw/zinc/08/84/72/899088472.db2.gz JXMDJJQQDAENCU-CDOGXQQPSA-N 1 0 389.927 3.691 20 30 GHEDRO COc1ccccc1-c1ccc([C@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884153320 899100613 /nfs/dbraw/zinc/10/06/13/899100613.db2.gz IJCICEKJZHYPNC-QAHQWMNCSA-N 1 0 389.499 3.679 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1)C2 ZINC000884165865 899157087 /nfs/dbraw/zinc/15/70/87/899157087.db2.gz QBEHENVKIJKHBK-YZGUTLMUSA-N 1 0 385.389 3.849 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289740509 914323542 /nfs/dbraw/zinc/32/35/42/914323542.db2.gz IVTNAJPOCYIKPK-KKSFZXQISA-N 1 0 391.475 3.836 20 30 GHEDRO Cc1nc(C#N)c(C#N)nc1N[C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@@H]1C ZINC001171032366 899250588 /nfs/dbraw/zinc/25/05/88/899250588.db2.gz UGNDSUJZXZKBJL-VHQAFBCOSA-N 1 0 380.540 3.899 20 30 GHEDRO CC(C)c1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C(C)C)cc1 ZINC000570360843 899280196 /nfs/dbraw/zinc/28/01/96/899280196.db2.gz AESFBFSATBWJKT-OAQYLSRUSA-N 1 0 385.533 3.837 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@H]3CC(N)=O)sc2C1 ZINC000331973547 899310242 /nfs/dbraw/zinc/31/02/42/899310242.db2.gz RKTOXMYFTWEARS-ZIAGYGMSSA-N 1 0 388.537 3.853 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc(OC)c1OC ZINC000823937027 899323771 /nfs/dbraw/zinc/32/37/71/899323771.db2.gz FMODAJNHOATDNS-CYBMUJFWSA-N 1 0 397.454 3.602 20 30 GHEDRO N#CCCC1CC[NH+](Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000570571285 899398716 /nfs/dbraw/zinc/39/87/16/899398716.db2.gz DTBWYMFCKBKYBI-UHFFFAOYSA-N 1 0 391.943 3.567 20 30 GHEDRO C=CC[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccncc1 ZINC000824338690 899539227 /nfs/dbraw/zinc/53/92/27/899539227.db2.gz YPZGHXKUQIRCFF-BHDDXSALSA-N 1 0 376.504 3.615 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000134132976 899650239 /nfs/dbraw/zinc/65/02/39/899650239.db2.gz KDNKCGGWPVXTMV-FQEVSTJZSA-O 1 0 397.564 3.942 20 30 GHEDRO COc1ccc(CC[N@H+](CC(C)C)C[C@H](O)c2ccc(C#N)cc2)cc1OC ZINC000156411950 899745468 /nfs/dbraw/zinc/74/54/68/899745468.db2.gz KXGNDZUSHGCDRK-NRFANRHFSA-N 1 0 382.504 3.810 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1(c3cccc(Cl)c3F)CCCC1)C2 ZINC000884334150 899829505 /nfs/dbraw/zinc/82/95/05/899829505.db2.gz IVAZELONTQCWNI-DBWCEAHUSA-N 1 0 389.902 3.546 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(CNc2cc(N(C)C)c(Br)c[nH+]2)cc1 ZINC000825104157 899954140 /nfs/dbraw/zinc/95/41/40/899954140.db2.gz PSRUVBOHPBBGMX-LBPRGKRZSA-N 1 0 375.270 3.813 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000333109157 899968600 /nfs/dbraw/zinc/96/86/00/899968600.db2.gz GCFJOIBUPQVZSE-YOEHRIQHSA-N 1 0 380.414 3.963 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000825338070 900103507 /nfs/dbraw/zinc/10/35/07/900103507.db2.gz LGVYVBGPMURNRE-LJQANCHMSA-N 1 0 388.309 3.622 20 30 GHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000135271439 900212455 /nfs/dbraw/zinc/21/24/55/900212455.db2.gz RFWSWSXWTPMBDM-QGZVFWFLSA-N 1 0 396.466 3.856 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000135318779 900221540 /nfs/dbraw/zinc/22/15/40/900221540.db2.gz LWFJPKBXJGQEGB-VQIMIIECSA-N 1 0 396.466 3.903 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000135322072 900223574 /nfs/dbraw/zinc/22/35/74/900223574.db2.gz AJKSEWJEQFQDTI-UHFFFAOYSA-N 1 0 382.439 3.646 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)CC2 ZINC000573847580 900663960 /nfs/dbraw/zinc/66/39/60/900663960.db2.gz IALFYRAAZNGUTI-OXJNMPFZSA-N 1 0 385.305 3.749 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000573946094 900715076 /nfs/dbraw/zinc/71/50/76/900715076.db2.gz PENWGIKWQARUGT-WZONZLPQSA-N 1 0 389.499 3.836 20 30 GHEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000574022299 900745879 /nfs/dbraw/zinc/74/58/79/900745879.db2.gz VXXJPIHBUVYEAJ-MRXNPFEDSA-N 1 0 396.413 3.699 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000574070526 900762770 /nfs/dbraw/zinc/76/27/70/900762770.db2.gz MNIGUNDTTBCWLW-SFHVURJKSA-N 1 0 381.442 3.898 20 30 GHEDRO C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@H](O)c1cccc(C#N)c1 ZINC000844367067 900777434 /nfs/dbraw/zinc/77/74/34/900777434.db2.gz QPUVIOLSNFQKEN-IBGZPJMESA-N 1 0 386.879 3.581 20 30 GHEDRO C=CC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001144022254 900939727 /nfs/dbraw/zinc/93/97/27/900939727.db2.gz YLBBRNUOGQEACB-GOSISDBHSA-N 1 0 383.536 3.928 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1N(C)C ZINC000844502438 900943350 /nfs/dbraw/zinc/94/33/50/900943350.db2.gz QKBUOARUZXQOJU-UHFFFAOYSA-N 1 0 391.519 3.719 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)c2)c1 ZINC000574671290 900960043 /nfs/dbraw/zinc/96/00/43/900960043.db2.gz VVNRFOUBMCSNRS-RPWUZVMVSA-N 1 0 392.499 3.547 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000158043577 900974161 /nfs/dbraw/zinc/97/41/61/900974161.db2.gz AKQBYLIFQCUIKZ-UHFFFAOYSA-N 1 0 386.879 3.895 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)Nc3ccc(F)cc3F)CC2)c1 ZINC000844597426 901062864 /nfs/dbraw/zinc/06/28/64/901062864.db2.gz WSQCERNCUCUSHP-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(O)c3C)C[C@@H]2c2ccccc2)C1=O ZINC001144112298 901077426 /nfs/dbraw/zinc/07/74/26/901077426.db2.gz XKPAZNHQPKNJOB-QPPBQGQZSA-N 1 0 376.500 3.705 20 30 GHEDRO C=CC[C@H]1N(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCC1(C)C ZINC000575079280 901110382 /nfs/dbraw/zinc/11/03/82/901110382.db2.gz LHDIAFNAZJWRPV-FCHUYYIVSA-N 1 0 398.595 3.751 20 30 GHEDRO C=CC[C@@H]1N(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCC1(C)C ZINC000575079282 901110834 /nfs/dbraw/zinc/11/08/34/901110834.db2.gz LHDIAFNAZJWRPV-VXKWHMMOSA-N 1 0 398.595 3.751 20 30 GHEDRO C[C@@]1(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000575321269 901190274 /nfs/dbraw/zinc/19/02/74/901190274.db2.gz VKUJXQUYXVCHBK-QHCPKHFHSA-N 1 0 391.490 3.900 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC(c4ccc(Cl)cc4)C3)C2=O)cc1 ZINC000575810566 901330666 /nfs/dbraw/zinc/33/06/66/901330666.db2.gz LBFGNYWAOPQWSZ-DQVLVPHSSA-N 1 0 379.891 3.848 20 30 GHEDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cccc(C#N)c1 ZINC000290127754 914536073 /nfs/dbraw/zinc/53/60/73/914536073.db2.gz LJKBSNWABZUXSM-IERDGZPVSA-N 1 0 375.472 3.569 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CCOCC1 ZINC000887124773 901447764 /nfs/dbraw/zinc/44/77/64/901447764.db2.gz SNYZSXNDTFNWMH-QHCPKHFHSA-N 1 0 394.490 3.536 20 30 GHEDRO C=CCc1cc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc(OC)c1O ZINC000092645217 901502602 /nfs/dbraw/zinc/50/26/02/901502602.db2.gz KFIBNKXLKOQPFN-UHFFFAOYSA-N 1 0 395.547 3.663 20 30 GHEDRO C#CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CCCc2ccccc21 ZINC000887232748 901612460 /nfs/dbraw/zinc/61/24/60/901612460.db2.gz WSRSXHGMSALNNE-IRLDBZIGSA-N 1 0 382.573 3.743 20 30 GHEDRO COCCCN(C(=O)c1cn(CCCC#N)c2ccccc12)C1CC[NH+](C)CC1 ZINC000576159080 901740058 /nfs/dbraw/zinc/74/00/58/901740058.db2.gz HCUJNJOLUGUDPP-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1ccccc1 ZINC000290213021 914577111 /nfs/dbraw/zinc/57/71/11/914577111.db2.gz VHZLJFKVYCSLJV-HSZRJFAPSA-N 1 0 389.499 3.617 20 30 GHEDRO Cn1cc(-c2ccc(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)s2)cn1 ZINC000576314559 901938281 /nfs/dbraw/zinc/93/82/81/901938281.db2.gz YFAHSZIEBXTASK-UHFFFAOYSA-N 1 0 379.533 3.584 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c(C#N)c1C ZINC000333432191 902083284 /nfs/dbraw/zinc/08/32/84/902083284.db2.gz JVERZHXPHTUVHJ-IVJVFBROSA-N 1 0 389.565 3.827 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1noc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001171177915 902088879 /nfs/dbraw/zinc/08/88/79/902088879.db2.gz BRSNRIAEDQAVCL-HNNXBMFYSA-N 1 0 396.491 3.560 20 30 GHEDRO C=CCOc1ccccc1C(=O)OC[C@H]1CCC[N@H+](C2CC2)[C@@H]1c1cncn1C ZINC000845806322 902382822 /nfs/dbraw/zinc/38/28/22/902382822.db2.gz HLAKACVHKUFJNH-VGSWGCGISA-N 1 0 395.503 3.757 20 30 GHEDRO C#Cc1ccc(CN2CCC([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001144581271 902393092 /nfs/dbraw/zinc/39/30/92/902393092.db2.gz OAJFGDDVWJQLKM-UHFFFAOYSA-N 1 0 397.563 3.621 20 30 GHEDRO COc1ccc(C[NH2+]CCc2ccn(-c3ccccc3)n2)cc1OCCCC#N ZINC000263685760 902394209 /nfs/dbraw/zinc/39/42/09/902394209.db2.gz NTRMTLOCXWKIGI-UHFFFAOYSA-N 1 0 390.487 3.896 20 30 GHEDRO Cn1cc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000576972502 902395823 /nfs/dbraw/zinc/39/58/23/902395823.db2.gz NVFYILMWAMBASF-QFIPXVFZSA-N 1 0 377.536 3.845 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCOCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001144567802 902397734 /nfs/dbraw/zinc/39/77/34/902397734.db2.gz COTKNACOSJBNOP-UHFFFAOYSA-N 1 0 384.520 3.517 20 30 GHEDRO C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006431 902587268 /nfs/dbraw/zinc/58/72/68/902587268.db2.gz IOUJCPGXSKNXHM-GOSISDBHSA-N 1 0 375.513 3.559 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)CC1 ZINC001171204543 902590844 /nfs/dbraw/zinc/59/08/44/902590844.db2.gz YWCQQPPENRLXBP-LJQANCHMSA-N 1 0 381.520 3.990 20 30 GHEDRO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)Cc2cn(CC3CC3)nc21 ZINC001171211355 902648462 /nfs/dbraw/zinc/64/84/62/902648462.db2.gz CQFQAUPJURSXTG-JTSKRJEESA-N 1 0 378.520 3.732 20 30 GHEDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171212650 902699930 /nfs/dbraw/zinc/69/99/30/902699930.db2.gz OWMOEBGAZRFIHY-IPHXSNPTSA-N 1 0 394.544 3.520 20 30 GHEDRO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171217807 902769997 /nfs/dbraw/zinc/76/99/97/902769997.db2.gz RJHLGRATJPYFKJ-DSAKXZLESA-N 1 0 397.544 3.703 20 30 GHEDRO Cc1ccc(C)c(Oc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)cn2)c1 ZINC000600715670 902837140 /nfs/dbraw/zinc/83/71/40/902837140.db2.gz HNZYROZXMAZTNL-HXUWFJFHSA-N 1 0 395.503 3.652 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](Cc2ccccc2)c2ccccc2)CCOCC1 ZINC000600731113 902854506 /nfs/dbraw/zinc/85/45/06/902854506.db2.gz UVNQCACUSVPXNW-XZOQPEGZSA-N 1 0 378.516 3.674 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 ZINC000264334294 903029236 /nfs/dbraw/zinc/02/92/36/903029236.db2.gz AFCMXYHELUCDPU-UHFFFAOYSA-N 1 0 398.551 3.721 20 30 GHEDRO N#Cc1ccccc1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171249142 903170985 /nfs/dbraw/zinc/17/09/85/903170985.db2.gz GWCKNPZLZRZSQR-FRIKZZABSA-N 1 0 389.499 3.753 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccccc2CC#N)ccc1OC ZINC000601026257 903242717 /nfs/dbraw/zinc/24/27/17/903242717.db2.gz OWGPGTBRQYXUQZ-UHFFFAOYSA-N 1 0 381.476 3.734 20 30 GHEDRO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000846894672 903294236 /nfs/dbraw/zinc/29/42/36/903294236.db2.gz GCKCTDVRWPTLOJ-UHFFFAOYSA-N 1 0 380.492 3.523 20 30 GHEDRO N#Cc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c2sccc21 ZINC000601118121 903353925 /nfs/dbraw/zinc/35/39/25/903353925.db2.gz HJMCHTBYUWTTTE-LLVKDONJSA-N 1 0 382.518 3.713 20 30 GHEDRO COc1ccc2nc(C)cc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC001171278170 903554602 /nfs/dbraw/zinc/55/46/02/903554602.db2.gz WRKPPPRHCSTJCR-UHFFFAOYSA-N 1 0 386.499 3.944 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-n2c(CC[NH3+])cc3ccccc32)n1 ZINC001171303132 903778011 /nfs/dbraw/zinc/77/80/11/903778011.db2.gz ZVZZPMILXHZWKW-ZGWHGSPESA-N 1 0 382.533 3.716 20 30 GHEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001171305951 903796032 /nfs/dbraw/zinc/79/60/32/903796032.db2.gz DZGYZEAQBZHQQF-FYYLOGMGSA-N 1 0 382.479 3.729 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171309053 903815636 /nfs/dbraw/zinc/81/56/36/903815636.db2.gz YECORVZWDLKOSO-INIZCTEOSA-N 1 0 392.927 3.830 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000772988554 904015185 /nfs/dbraw/zinc/01/51/85/904015185.db2.gz RMDCQZAYLDOERB-SFHVURJKSA-N 1 0 375.472 3.862 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000150815909 904027806 /nfs/dbraw/zinc/02/78/06/904027806.db2.gz MSQDEVVEGIIPDJ-FQEVSTJZSA-N 1 0 393.487 3.821 20 30 GHEDRO COc1cc(C)ccc1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001148577379 904126460 /nfs/dbraw/zinc/12/64/60/904126460.db2.gz UKHLHLPOJNZMBD-MXVIHJGJSA-N 1 0 377.488 3.788 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccc([C@H](C)C#N)c1)[C@@H]2C ZINC001148614315 904139709 /nfs/dbraw/zinc/13/97/09/904139709.db2.gz RCWVLXLECYNCLH-IAGOWNOFSA-N 1 0 379.508 3.567 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000578821440 904149341 /nfs/dbraw/zinc/14/93/41/904149341.db2.gz PETYFANHGYJAQY-JOCHJYFZSA-N 1 0 383.499 3.596 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000578922398 904227518 /nfs/dbraw/zinc/22/75/18/904227518.db2.gz SWBJLZPPLDRWKS-TZIWHRDSSA-N 1 0 382.895 3.575 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000579089367 904341736 /nfs/dbraw/zinc/34/17/36/904341736.db2.gz RFJWYMFBOAEPNH-GHTZIAJQSA-N 1 0 395.551 3.699 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000153380874 904357880 /nfs/dbraw/zinc/35/78/80/904357880.db2.gz BVMRKIDHQZWPKL-HTAPYJJXSA-N 1 0 378.472 3.667 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1C#N ZINC000773078170 904415209 /nfs/dbraw/zinc/41/52/09/904415209.db2.gz VOBOXZUUMCLSLC-OAHLLOKOSA-N 1 0 385.895 3.747 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(N2c3ccccc3OC[C@H]2C[NH3+])n1 ZINC001171391483 904478165 /nfs/dbraw/zinc/47/81/65/904478165.db2.gz ABBGEJQGKKVUIK-MRXNPFEDSA-N 1 0 380.492 3.653 20 30 GHEDRO [NH2+]=C(NCCc1cnn(-c2ccccc2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104159380 904546120 /nfs/dbraw/zinc/54/61/20/904546120.db2.gz PKYCJGSVCXLYLZ-UHFFFAOYSA-N 1 0 389.381 3.740 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000579498892 904654800 /nfs/dbraw/zinc/65/48/00/904654800.db2.gz PMMDHBNBGTZXOF-RXVVDRJESA-N 1 0 389.421 3.909 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)s1 ZINC000826676641 904893682 /nfs/dbraw/zinc/89/36/82/904893682.db2.gz DTDGQVAUZUSSBH-YYFZDKIDSA-N 1 0 394.585 3.912 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1C[C@@H](C)N(Cc3ccccc3)C1)CC2 ZINC001171750339 904977727 /nfs/dbraw/zinc/97/77/27/904977727.db2.gz KSIVCVLPXDIUKJ-BKULYWANSA-N 1 0 381.564 3.683 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)cn1 ZINC000801553449 921125554 /nfs/dbraw/zinc/12/55/54/921125554.db2.gz PZFCUOYLPIUJQS-UHFFFAOYSA-N 1 0 394.482 3.590 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(SC)c(Br)c2)CC1 ZINC000626647797 905206318 /nfs/dbraw/zinc/20/63/18/905206318.db2.gz PSKWDUAAYPVGBJ-UHFFFAOYSA-N 1 0 384.343 3.943 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CCC#N)CC2)CC12CCCCC2 ZINC001172056578 905258462 /nfs/dbraw/zinc/25/84/62/905258462.db2.gz GYZHSZLXGGSSDT-LJQANCHMSA-N 1 0 390.572 3.620 20 30 GHEDRO COC(=O)C1(c2ccc(Br)cc2)CCC([NH2+][C@@H](C)CC#N)CC1 ZINC001172144346 905350130 /nfs/dbraw/zinc/35/01/30/905350130.db2.gz QACJZFPZTPQHDN-BELGNNRLSA-N 1 0 379.298 3.694 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000175022058 905421462 /nfs/dbraw/zinc/42/14/62/905421462.db2.gz SNXKJGGXGGSURN-FMIVXFBMSA-N 1 0 389.499 3.725 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000801576137 921146857 /nfs/dbraw/zinc/14/68/57/921146857.db2.gz SXAWJLFSDQVIIA-FUHWJXTLSA-N 1 0 395.528 3.860 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001172303829 905456947 /nfs/dbraw/zinc/45/69/47/905456947.db2.gz IBQKDRSNBCBRCW-IBGZPJMESA-N 1 0 388.515 3.513 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001172305793 905460862 /nfs/dbraw/zinc/46/08/62/905460862.db2.gz GDBDDTIKOCILRQ-BVZFJXPGSA-N 1 0 385.511 3.890 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN([C@@H](C)Cc4ccc(C#N)cc4)CC[N@@H+]3C2)cc1 ZINC001172306437 905461584 /nfs/dbraw/zinc/46/15/84/905461584.db2.gz KBWPJNQPEYPEGK-NGYIFUPDSA-N 1 0 375.516 3.635 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001172308008 905465481 /nfs/dbraw/zinc/46/54/81/905465481.db2.gz SGKSWLLISKDEEB-JMUQELJHSA-N 1 0 377.488 3.587 20 30 GHEDRO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172308458 905465647 /nfs/dbraw/zinc/46/56/47/905465647.db2.gz NHKNJMDZXWYBGE-DSAKXZLESA-N 1 0 397.544 3.703 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001172307983 905465747 /nfs/dbraw/zinc/46/57/47/905465747.db2.gz RWDXRBDTCSVRAQ-MWTRTKDXSA-N 1 0 395.453 3.896 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)ccc1OC1CCOCC1 ZINC001172298104 905484226 /nfs/dbraw/zinc/48/42/26/905484226.db2.gz DEFWIXFGPFMVCI-KRWDZBQOSA-N 1 0 380.488 3.845 20 30 GHEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001172354459 905523706 /nfs/dbraw/zinc/52/37/06/905523706.db2.gz HAAJSAUTVIXXBQ-IBGZPJMESA-N 1 0 388.556 3.814 20 30 GHEDRO CCCCCCC[C@H](CC)n1nncc1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001172355641 905526779 /nfs/dbraw/zinc/52/67/79/905526779.db2.gz PLTDKXWTIWAIFA-UNMCSNQZSA-N 1 0 391.604 3.792 20 30 GHEDRO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+]3CCC4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521832 905581851 /nfs/dbraw/zinc/58/18/51/905581851.db2.gz GVMKVKFAQDCGHO-MMKMLUHNSA-N 1 0 396.556 3.592 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCN(c2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC001172498364 905599601 /nfs/dbraw/zinc/59/96/01/905599601.db2.gz MDOPKBYRHIBSED-QGZVFWFLSA-N 1 0 399.926 3.913 20 30 GHEDRO CCCCCCC[C@H](CCC)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001172511202 905603408 /nfs/dbraw/zinc/60/34/08/905603408.db2.gz NVSRRKSBLNKKIB-DOIPELPJSA-N 1 0 380.573 3.606 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCOc2cccc(C#N)c2)C(C)(C)C1 ZINC000801584835 921165993 /nfs/dbraw/zinc/16/59/93/921165993.db2.gz HWKJORROVFSIEG-LJQANCHMSA-N 1 0 387.524 3.952 20 30 GHEDRO CC1(C)CC([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC(C)(C)O1 ZINC001172656741 905720934 /nfs/dbraw/zinc/72/09/34/905720934.db2.gz MYHKEMZEBMAMJL-HSZRJFAPSA-N 1 0 381.520 3.723 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172686138 905736846 /nfs/dbraw/zinc/73/68/46/905736846.db2.gz BUOWUUBIGKFLQX-HXUWFJFHSA-N 1 0 391.490 3.874 20 30 GHEDRO C#CC(C)(C)[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172693038 905742256 /nfs/dbraw/zinc/74/22/56/905742256.db2.gz NYAQPOLKVRJKMP-FQEVSTJZSA-N 1 0 396.556 3.897 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172726437 905775753 /nfs/dbraw/zinc/77/57/53/905775753.db2.gz WHFUXNCFKQHYQN-OAQYLSRUSA-N 1 0 394.906 3.965 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCC[C@@H](C(=O)OC)CC1)[C@@H]2CC ZINC001172785433 905826313 /nfs/dbraw/zinc/82/63/13/905826313.db2.gz IQGAIPUPGQKJQZ-YXTQBTIXSA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172907034 905933278 /nfs/dbraw/zinc/93/32/78/905933278.db2.gz ZNLFPIAOPIGALG-REWPJTCUSA-N 1 0 397.519 3.875 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2ccccc2Cl)C[C@H]1C#N ZINC001172967651 906028089 /nfs/dbraw/zinc/02/80/89/906028089.db2.gz ZEKLEWFHMJGRGT-CABCVRRESA-N 1 0 379.888 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2Br)C[C@H]1C#N ZINC001172969995 906030777 /nfs/dbraw/zinc/03/07/77/906030777.db2.gz ZXKADHGXZICFSN-GJZGRUSLSA-N 1 0 394.313 3.830 20 30 GHEDRO C[NH+](C)CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172972402 906035138 /nfs/dbraw/zinc/03/51/38/906035138.db2.gz YBTSAUMBQAMZBR-UFYCRDLUSA-N 1 0 386.540 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](NC(=[NH2+])c2ccc(C(F)(F)F)cc2)C[C@H]1C#N ZINC001172971590 906035606 /nfs/dbraw/zinc/03/56/06/906035606.db2.gz QUVVHTJJQNJHIB-GJZGRUSLSA-N 1 0 396.413 3.702 20 30 GHEDRO CC(C)Oc1ccc(CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172972519 906036998 /nfs/dbraw/zinc/03/69/98/906036998.db2.gz AVNPIVYNWKZLTG-OALUTQOASA-N 1 0 387.524 3.898 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(Cc3ccccc3)CCOCC2)C[C@H]1C#N ZINC001172975244 906040264 /nfs/dbraw/zinc/04/02/64/906040264.db2.gz BOGLTKYCEPINRW-UXHICEINSA-N 1 0 399.535 3.660 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c(F)c1 ZINC001172983015 906049733 /nfs/dbraw/zinc/04/97/33/906049733.db2.gz HFHLSNPGAWFFEQ-ZNMIVQPWSA-N 1 0 377.460 3.777 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C[C@H]1C#N ZINC001172982865 906050076 /nfs/dbraw/zinc/05/00/76/906050076.db2.gz GWNAXQOOLBUSJC-QWQRMKEZSA-N 1 0 377.435 3.833 20 30 GHEDRO COC1(c2ccccc2)CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172989284 906054123 /nfs/dbraw/zinc/05/41/23/906054123.db2.gz GVLRELGLYAMFNY-PMACEKPBSA-N 1 0 399.535 3.916 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CCC4(CCOCC4)CC3)C2)C1 ZINC001173043578 906114121 /nfs/dbraw/zinc/11/41/21/906114121.db2.gz OEXWPJCGWVKEFF-JOCHJYFZSA-N 1 0 376.541 3.836 20 30 GHEDRO C=CCOC1CCC([NH2+][C@@H]2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173311677 906364648 /nfs/dbraw/zinc/36/46/48/906364648.db2.gz NQZANKJGVXURGA-PJEKJXDBSA-N 1 0 394.556 3.648 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)CC1 ZINC001173320619 906368462 /nfs/dbraw/zinc/36/84/62/906368462.db2.gz BFZMZJUDEVBAOR-HDJSHQJTSA-N 1 0 386.536 3.654 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@]3(CCN(Cc4cccc(OC)c4)C3=O)C2)CC1 ZINC001173321745 906370143 /nfs/dbraw/zinc/37/01/43/906370143.db2.gz SJCKJWAXOKXNNR-VUNKPPBISA-N 1 0 398.547 3.633 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)CC1 ZINC001173320799 906370288 /nfs/dbraw/zinc/37/02/88/906370288.db2.gz DIKWZFMWRSTBII-UCMFBROFSA-N 1 0 392.565 3.653 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001173324520 906372037 /nfs/dbraw/zinc/37/20/37/906372037.db2.gz PJPYOSCCAQQYFE-YDPRHXJPSA-N 1 0 383.536 3.552 20 30 GHEDRO N#CCc1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000178816403 906389693 /nfs/dbraw/zinc/38/96/93/906389693.db2.gz VGPZTRNLCGTHRR-NRFANRHFSA-N 1 0 385.471 3.648 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+]C2(c3cccc(C#N)c3)CC2)sc2c1CCC2 ZINC000299170935 921233567 /nfs/dbraw/zinc/23/35/67/921233567.db2.gz YDJFONRLUDZQDT-UHFFFAOYSA-N 1 0 376.485 3.588 20 30 GHEDRO CCCCCCCC[N@H+](CCN)C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001173401732 906430031 /nfs/dbraw/zinc/43/00/31/906430031.db2.gz LFHYTSNXERIMIJ-UHFFFAOYSA-N 1 0 389.584 3.921 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(Cl)nc(Cl)c3)CC2)cc1 ZINC001173423163 906458418 /nfs/dbraw/zinc/45/84/18/906458418.db2.gz FWGJMDNWGZBVCW-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)CC2)cc1 ZINC001173425090 906459964 /nfs/dbraw/zinc/45/99/64/906459964.db2.gz NXPXSJDYIYRZBO-IBGZPJMESA-N 1 0 398.510 3.806 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC001173424776 906460161 /nfs/dbraw/zinc/46/01/61/906460161.db2.gz KQCXNMPUAQRCIM-JOCHJYFZSA-N 1 0 377.488 3.912 20 30 GHEDRO COc1ccccc1CC(C)(C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173427268 906463404 /nfs/dbraw/zinc/46/34/04/906463404.db2.gz MZBSFMXLXFRBPW-UHFFFAOYSA-N 1 0 391.515 3.782 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@@H]3c3cccc(Cl)c3)CC2)cc1 ZINC001173427425 906463624 /nfs/dbraw/zinc/46/36/24/906463624.db2.gz VRZBKHURTQSCQL-NHCUHLMSSA-N 1 0 379.891 3.962 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](c3ccnc(Cl)c3)C3CC3)CC2)cc1 ZINC001173427479 906463635 /nfs/dbraw/zinc/46/36/35/906463635.db2.gz XGKUZAALJPIPQG-NRFANRHFSA-N 1 0 394.906 3.952 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](c4ccccc4F)C3)CC2)cc1 ZINC001173431053 906466760 /nfs/dbraw/zinc/46/67/60/906466760.db2.gz BHYHLJGGHMMWKZ-IBGZPJMESA-N 1 0 377.463 3.791 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001173595550 906549218 /nfs/dbraw/zinc/54/92/18/906549218.db2.gz RGMDSXPGLMMDBF-MDRJSERKSA-N 1 0 377.532 3.963 20 30 GHEDRO CCCCCCC[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173696533 906650028 /nfs/dbraw/zinc/65/00/28/906650028.db2.gz BRPDMLQSHHHHRX-UHFFFAOYSA-N 1 0 397.541 3.650 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)c1ccccc1 ZINC000180044241 906674079 /nfs/dbraw/zinc/67/40/79/906674079.db2.gz FGUWFSSJGXZSDY-HNNXBMFYSA-N 1 0 397.500 3.877 20 30 GHEDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000180472935 906777361 /nfs/dbraw/zinc/77/73/61/906777361.db2.gz UITOULDLTGVNFU-UHFFFAOYSA-N 1 0 379.526 3.516 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)CC1 ZINC000180849182 906859605 /nfs/dbraw/zinc/85/96/05/906859605.db2.gz LTFCPYWPHDHIAW-UHFFFAOYSA-N 1 0 386.455 3.706 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000181224539 906948691 /nfs/dbraw/zinc/94/86/91/906948691.db2.gz MIYAFWNFGWBQIU-VQIMIIECSA-N 1 0 383.517 3.933 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cccc(F)c3Br)C2)C1=O ZINC001276008144 921280612 /nfs/dbraw/zinc/28/06/12/921280612.db2.gz LFZARIBGCZFYTQ-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181913898 907098947 /nfs/dbraw/zinc/09/89/47/907098947.db2.gz GDSDHWNSWFCHPW-GAJHUEQPSA-N 1 0 381.495 3.764 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC001174716007 907171284 /nfs/dbraw/zinc/17/12/84/907171284.db2.gz ODIJTCXPRKCFIC-QGZVFWFLSA-N 1 0 380.467 3.735 20 30 GHEDRO C#CCOc1ccccc1C[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000192036559 907372039 /nfs/dbraw/zinc/37/20/39/907372039.db2.gz CYSWSDBCTIWIHN-UHFFFAOYSA-N 1 0 384.501 3.711 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000192097479 907408710 /nfs/dbraw/zinc/40/87/10/907408710.db2.gz YMGXVTFYXCPFCQ-DOPJRALCSA-N 1 0 393.890 3.630 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)/C=C\c2ccccc2C#N)cc1 ZINC000779541798 907538964 /nfs/dbraw/zinc/53/89/64/907538964.db2.gz HCNAZZYWWBYDCP-JQCPSUHGSA-N 1 0 375.472 3.533 20 30 GHEDRO COc1cc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001175472837 907564253 /nfs/dbraw/zinc/56/42/53/907564253.db2.gz PAQVQJCHMIPLKL-JOCHJYFZSA-N 1 0 393.531 3.918 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000184339411 907565516 /nfs/dbraw/zinc/56/55/16/907565516.db2.gz NWDZVZAIECFHAN-XLIONFOSSA-N 1 0 378.476 3.936 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)s2)cc1 ZINC000184791961 907657508 /nfs/dbraw/zinc/65/75/08/907657508.db2.gz LMDWSZPBRGGDOW-CQSZACIVSA-N 1 0 386.521 3.540 20 30 GHEDRO C=CCn1cnc2c1ncnc2Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175799698 907727658 /nfs/dbraw/zinc/72/76/58/907727658.db2.gz NDNXWDDFUXSMGK-UHFFFAOYSA-N 1 0 378.480 3.621 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H]1CCCC[C@@H]1C)[n+]1cccc(C)c1 ZINC000186963144 908012396 /nfs/dbraw/zinc/01/23/96/908012396.db2.gz MZASDWDRFURGJK-YOEHRIQHSA-O 1 0 386.541 3.994 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(C)cc1 ZINC000186975133 908014116 /nfs/dbraw/zinc/01/41/16/908014116.db2.gz HJSQKPKJCOIQFM-UHFFFAOYSA-O 1 0 399.536 3.771 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187969948 908162315 /nfs/dbraw/zinc/16/23/15/908162315.db2.gz DDXBTZXIPWGQBM-GQIGUUNPSA-N 1 0 375.538 3.502 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000633041659 908194475 /nfs/dbraw/zinc/19/44/75/908194475.db2.gz NYFYIGZXMOPICC-JOCHJYFZSA-N 1 0 378.520 3.705 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@]3(C)C3CC3)sc2C1 ZINC001176820302 908266787 /nfs/dbraw/zinc/26/67/87/908266787.db2.gz WZPDYZXUVMFECB-SZNDQCEHSA-N 1 0 387.549 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC001176932509 908306845 /nfs/dbraw/zinc/30/68/45/908306845.db2.gz LXLPRVFCUWIINH-OFNKIYASSA-N 1 0 399.535 3.847 20 30 GHEDRO N#Cc1ccc(NCC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)nc1 ZINC001177208861 908450772 /nfs/dbraw/zinc/45/07/72/908450772.db2.gz BMUVKOKGODCXHN-UHFFFAOYSA-N 1 0 393.878 3.782 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)c1 ZINC000801721614 921420621 /nfs/dbraw/zinc/42/06/21/921420621.db2.gz NBPJZAAWQSCASS-IBGZPJMESA-N 1 0 375.476 3.855 20 30 GHEDRO N#CCOc1ccccc1C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000193658322 908604683 /nfs/dbraw/zinc/60/46/83/908604683.db2.gz ARVVGHFAHBVALS-UHFFFAOYSA-N 1 0 380.444 3.673 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ccncc3)CC1)CCC2 ZINC000191621038 908651672 /nfs/dbraw/zinc/65/16/72/908651672.db2.gz WYTCHBYTDRIQDU-UHFFFAOYSA-N 1 0 380.517 3.712 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000191814424 908677424 /nfs/dbraw/zinc/67/74/24/908677424.db2.gz NEXDHPGZBMTELM-CQSZACIVSA-N 1 0 386.297 3.627 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634374428 908696814 /nfs/dbraw/zinc/69/68/14/908696814.db2.gz OQEOPIWRNCHOJS-LJQANCHMSA-N 1 0 387.572 3.941 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000192083017 908718167 /nfs/dbraw/zinc/71/81/67/908718167.db2.gz RUSUEBGXTOHHSR-AEFFLSMTSA-N 1 0 391.830 3.619 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000192093328 908721016 /nfs/dbraw/zinc/72/10/16/908721016.db2.gz SZDBLESJCJLVQD-ZUSMLRIVSA-N 1 0 387.842 3.798 20 30 GHEDRO N#Cc1ccc(CN(C(=O)[C@H](c2ccccn2)C2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001178247733 908950073 /nfs/dbraw/zinc/95/00/73/908950073.db2.gz XZVGJAHJZCBLMD-FUDKSRODSA-N 1 0 388.515 3.746 20 30 GHEDRO CC(C)c1ccnc(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001178232662 908968931 /nfs/dbraw/zinc/96/89/31/908968931.db2.gz WTMYAWSOVIMDKD-AFARHQOCSA-N 1 0 390.531 3.918 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3Br)C2)C1=O ZINC001276025108 921470242 /nfs/dbraw/zinc/47/02/42/921470242.db2.gz KMRPXJDDWHELGK-QGZVFWFLSA-N 1 0 383.717 3.713 20 30 GHEDRO COc1ccc(CN(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1O ZINC000267418485 909490583 /nfs/dbraw/zinc/49/05/83/909490583.db2.gz VWWVLBDSAKIQOF-HNNXBMFYSA-N 1 0 399.516 3.866 20 30 GHEDRO COc1ccc(C[NH2+]CCn2nc(C(F)(F)F)cc2C)cc1OCCCC#N ZINC001179597981 909602181 /nfs/dbraw/zinc/60/21/81/909602181.db2.gz KERXPSPZYGBARS-UHFFFAOYSA-N 1 0 396.413 3.691 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc(OC)c1O ZINC001179682091 909670389 /nfs/dbraw/zinc/67/03/89/909670389.db2.gz YDNYOYMESQYONZ-SFHVURJKSA-N 1 0 390.524 3.864 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000245678150 909821379 /nfs/dbraw/zinc/82/13/79/909821379.db2.gz LSABRJIRFIOCSU-FCHUYYIVSA-N 1 0 384.474 3.850 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000795332233 909932149 /nfs/dbraw/zinc/93/21/49/909932149.db2.gz JUTXJIQRQBWLJQ-CTNGQTDRSA-N 1 0 389.499 3.555 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)N[C@@H](C)CC)cc1 ZINC000299650722 921548175 /nfs/dbraw/zinc/54/81/75/921548175.db2.gz WAUDQIBPFJNKPZ-HNNXBMFYSA-O 1 0 399.536 3.982 20 30 GHEDRO COc1ccccc1/C=C/C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001180533784 910206216 /nfs/dbraw/zinc/20/62/16/910206216.db2.gz KGBRSUOQKGEBLL-FXXCXLSDSA-N 1 0 389.499 3.879 20 30 GHEDRO C[C@H](OC(=O)C1CC[NH+](C2CC2)CC1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000801870896 921563164 /nfs/dbraw/zinc/56/31/64/921563164.db2.gz BPGGOUJPHSJDID-AABCQZNVSA-N 1 0 396.531 3.673 20 30 GHEDRO N#CCc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000366394981 921566467 /nfs/dbraw/zinc/56/64/67/921566467.db2.gz TXRYJNHMEVUDSD-UHFFFAOYSA-N 1 0 380.414 3.679 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc(C)cc1 ZINC000269706113 910338148 /nfs/dbraw/zinc/33/81/48/910338148.db2.gz ONBBRJITSKYWBJ-UHFFFAOYSA-O 1 0 379.596 3.852 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 ZINC000270105481 910441620 /nfs/dbraw/zinc/44/16/20/910441620.db2.gz HWVXKTYHLHASFQ-MZHQLVBMSA-N 1 0 383.439 3.608 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000270195047 910476180 /nfs/dbraw/zinc/47/61/80/910476180.db2.gz IGCKWZYKTIWAMV-RTWAWAEBSA-N 1 0 396.535 3.948 20 30 GHEDRO N#CCc1cccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000299696916 921592814 /nfs/dbraw/zinc/59/28/14/921592814.db2.gz UAOKOHFLYOPSNE-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO N#Cc1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000008262092 921601702 /nfs/dbraw/zinc/60/17/02/921601702.db2.gz OMLPOBDEYPYJSV-MRXNPFEDSA-N 1 0 376.485 3.986 20 30 GHEDRO N#Cc1ccc(CN2CCCN(Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000271051428 910768543 /nfs/dbraw/zinc/76/85/43/910768543.db2.gz WLFIEVBYBUMJRS-FQEVSTJZSA-N 1 0 382.533 3.574 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000247121325 910981551 /nfs/dbraw/zinc/98/15/51/910981551.db2.gz REHRULUTAXKONH-VQTJNVASSA-N 1 0 397.592 3.949 20 30 GHEDRO C#CC[N@@H+](CCc1ccnn1CC)[C@H]1CCOc2ccc(Br)cc21 ZINC000801921435 921628651 /nfs/dbraw/zinc/62/86/51/921628651.db2.gz COZJSBGTWSROQS-SFHVURJKSA-N 1 0 388.309 3.667 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@@H](C)C1 ZINC000247347254 911180757 /nfs/dbraw/zinc/18/07/57/911180757.db2.gz JMKWCIGKDVURAI-AOMKIAJQSA-N 1 0 378.520 3.768 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000091858308 911305825 /nfs/dbraw/zinc/30/58/25/911305825.db2.gz HSCUKIOULGXNBE-UHFFFAOYSA-N 1 0 397.906 3.988 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091863485 911307069 /nfs/dbraw/zinc/30/70/69/911307069.db2.gz BDQUHQLBMOFMMP-UHFFFAOYSA-N 1 0 381.451 3.707 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000247970762 911549917 /nfs/dbraw/zinc/54/99/17/911549917.db2.gz FRIJLGJSBXWINI-PZJWPPBQSA-N 1 0 380.488 3.608 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000092704611 911723340 /nfs/dbraw/zinc/72/33/40/911723340.db2.gz PGWDWLZGJFHXSU-KXBFYZLASA-N 1 0 382.439 3.513 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000774483884 911789453 /nfs/dbraw/zinc/78/94/53/911789453.db2.gz QIJXRRUCKVMIOM-IAGOWNOFSA-N 1 0 382.483 3.878 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000092784059 911805780 /nfs/dbraw/zinc/80/57/80/911805780.db2.gz WZYQKEMRENBNDJ-OAQYLSRUSA-N 1 0 376.500 3.731 20 30 GHEDRO C[C@@H]1CN(C(=O)Cc2c[nH]c3cccc(C#N)c23)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001182578419 911882470 /nfs/dbraw/zinc/88/24/70/911882470.db2.gz SOTMEPPTNGKIDT-MSOLQXFVSA-N 1 0 386.499 3.703 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC2(C)CC2)cc1 ZINC000284482272 911885605 /nfs/dbraw/zinc/88/56/05/911885605.db2.gz RXUUAKRBPOTXAN-UHFFFAOYSA-O 1 0 391.463 3.965 20 30 GHEDRO N#Cc1ccc(OCC(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)cc1 ZINC001182914882 912143762 /nfs/dbraw/zinc/14/37/62/912143762.db2.gz ISNGLKPRRYUVOT-JOCHJYFZSA-N 1 0 389.499 3.919 20 30 GHEDRO C[C@@H]1[C@@H](CC(=O)Nc2cnc(C#N)cn2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186934463 914883138 /nfs/dbraw/zinc/88/31/38/914883138.db2.gz DODSYEKXXBSYOV-XLIONFOSSA-N 1 0 397.482 3.787 20 30 GHEDRO C[N@H+](CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CCCC1 ZINC000303625041 915000147 /nfs/dbraw/zinc/00/01/47/915000147.db2.gz DQAZBARXPDZKDA-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C=C(C)Cn1c(SCc2nc([C@H]([NH3+])CC(C)C)no2)nnc1-c1ccco1 ZINC000647133402 915048856 /nfs/dbraw/zinc/04/88/56/915048856.db2.gz IDKHXRJZDISHNX-CYBMUJFWSA-N 1 0 388.497 3.835 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000291235153 915053889 /nfs/dbraw/zinc/05/38/89/915053889.db2.gz KSNYJGDWCYMNPY-XMMPIXPASA-N 1 0 386.499 3.600 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303769473 915112182 /nfs/dbraw/zinc/11/21/82/915112182.db2.gz BKODDLWCAIRMCT-KNQAVFIVSA-N 1 0 393.531 3.931 20 30 GHEDRO COc1ccccc1CC1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000303790992 915113947 /nfs/dbraw/zinc/11/39/47/915113947.db2.gz FGKSJPBCNOWBAR-UHFFFAOYSA-N 1 0 380.488 3.909 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000802009348 921749940 /nfs/dbraw/zinc/74/99/40/921749940.db2.gz VJLIQVFVSKCIDM-JOCHJYFZSA-N 1 0 391.556 3.810 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc2ccc(Br)cc2[nH]1 ZINC001275598241 915203861 /nfs/dbraw/zinc/20/38/61/915203861.db2.gz ONFIGWJMYUYJQM-QZTJIDSGSA-N 1 0 388.309 3.682 20 30 GHEDRO CNC(=O)c1cccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303891276 915300070 /nfs/dbraw/zinc/30/00/70/915300070.db2.gz MYNDPHOMNVTKTP-NSHDSACASA-N 1 0 379.291 3.519 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCOc2ccc(C(F)(F)F)cc2)c1 ZINC000303894392 915301282 /nfs/dbraw/zinc/30/12/82/915301282.db2.gz SPQZRBJJNMWDME-UHFFFAOYSA-N 1 0 383.370 3.528 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000303898644 915301960 /nfs/dbraw/zinc/30/19/60/915301960.db2.gz VOKZQSOFSSQMQH-KRWDZBQOSA-N 1 0 395.425 3.995 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCC2(c3ccccc3OC)CCCC2)cc1OC ZINC000303900132 915303910 /nfs/dbraw/zinc/30/39/10/915303910.db2.gz WOJCIDJFVYKJJO-UHFFFAOYSA-N 1 0 397.519 3.629 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC000303908875 915307275 /nfs/dbraw/zinc/30/72/75/915307275.db2.gz XWKDSOVGINREQZ-UHFFFAOYSA-N 1 0 396.919 3.722 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2-n2ccnc2)c1 ZINC000303905155 915307355 /nfs/dbraw/zinc/30/73/55/915307355.db2.gz ZFQOFCKHEYJQCS-UHFFFAOYSA-N 1 0 379.464 3.597 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000303960548 915341678 /nfs/dbraw/zinc/34/16/78/915341678.db2.gz ZHKQCLCKVHHXGX-QGZVFWFLSA-N 1 0 384.426 3.828 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCCNC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000303978861 915347017 /nfs/dbraw/zinc/34/70/17/915347017.db2.gz MPQBWSFUDHEFMT-ZDUSSCGKSA-N 1 0 393.318 3.779 20 30 GHEDRO CCc1noc(-c2ccc(CCNC(=[NH+]Cc3ccccc3)N(C)C)cc2)n1 ZINC000303978493 915347176 /nfs/dbraw/zinc/34/71/76/915347176.db2.gz MHKDFSSOLAUITP-UHFFFAOYSA-N 1 0 377.492 3.549 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3cccs3)s1)C2 ZINC001275620137 915362151 /nfs/dbraw/zinc/36/21/51/915362151.db2.gz RARMQFSLNASSIN-HXUWFJFHSA-N 1 0 388.558 3.714 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H]1OCCc2sccc21 ZINC000291811106 915373429 /nfs/dbraw/zinc/37/34/29/915373429.db2.gz CYBYWWICDJUAPN-GQIGUUNPSA-N 1 0 383.517 3.675 20 30 GHEDRO [NH2+]=C(NCCCN1CCCCCC1=O)Nc1cccc(Oc2ccccc2)c1 ZINC000304476179 915516319 /nfs/dbraw/zinc/51/63/19/915516319.db2.gz HOYIUANVPNMSRJ-UHFFFAOYSA-N 1 0 380.492 3.998 20 30 GHEDRO [NH2+]=C(NCCNC(=O)c1ccccc1F)Nc1cccc(Oc2ccccc2)c1 ZINC000304504081 915526116 /nfs/dbraw/zinc/52/61/16/915526116.db2.gz QIXZDCDHNMHGOL-UHFFFAOYSA-N 1 0 392.434 3.775 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c(C#N)c1C ZINC000292288218 915601725 /nfs/dbraw/zinc/60/17/25/915601725.db2.gz CFRLZLCTNNIFDC-GTNSWQLSSA-N 1 0 375.519 3.529 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001187993427 915672505 /nfs/dbraw/zinc/67/25/05/915672505.db2.gz VUWNSQJURQQDHF-UHFFFAOYSA-N 1 0 388.618 3.501 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccc(OC)c2OC2CCCC2)cc1OC ZINC000304764838 915700936 /nfs/dbraw/zinc/70/09/36/915700936.db2.gz YNKRWSPAUFXHPD-UHFFFAOYSA-N 1 0 399.491 3.961 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)c(OC)c1 ZINC001188018161 915709912 /nfs/dbraw/zinc/70/99/12/915709912.db2.gz WPFXQZOADCLGOF-UHFFFAOYSA-N 1 0 397.585 3.549 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1OCCc2sccc21 ZINC000292518496 915720831 /nfs/dbraw/zinc/72/08/31/915720831.db2.gz WCXMMHWOLDPKCW-BBATYDOGSA-N 1 0 375.881 3.504 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C)cc2OCC(F)(F)F)cc1OC ZINC000304930333 915792533 /nfs/dbraw/zinc/79/25/33/915792533.db2.gz ASAFZVZMYXECEL-UHFFFAOYSA-N 1 0 397.397 3.880 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000292872552 915882901 /nfs/dbraw/zinc/88/29/01/915882901.db2.gz SNZQUBHLVBEWGX-SUMWQHHRSA-N 1 0 376.298 3.792 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCCC(C)(C)O1 ZINC001188466266 915990914 /nfs/dbraw/zinc/99/09/14/915990914.db2.gz VQNHKLMWHWEXAM-KRWDZBQOSA-N 1 0 378.586 3.932 20 30 GHEDRO N#Cc1ccsc1NC(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293268373 916093817 /nfs/dbraw/zinc/09/38/17/916093817.db2.gz JECDSHRKUAPOAC-UHFFFAOYSA-N 1 0 394.544 3.546 20 30 GHEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000360794719 916322578 /nfs/dbraw/zinc/32/25/78/916322578.db2.gz UQKOIXMIQZZHNO-IERDGZPVSA-N 1 0 393.487 3.590 20 30 GHEDRO N#CCOc1ccccc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000360830986 916338111 /nfs/dbraw/zinc/33/81/11/916338111.db2.gz RFWYDHMXZKGTJH-UHFFFAOYSA-N 1 0 389.499 3.717 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cc(C)cc2cccnc21)C(C)C ZINC001189253483 916497467 /nfs/dbraw/zinc/49/74/67/916497467.db2.gz MPXLRGYJPJFSQE-LJQANCHMSA-N 1 0 387.549 3.520 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000294080473 916571623 /nfs/dbraw/zinc/57/16/23/916571623.db2.gz IKRKHLNEKPTHQD-CABCVRRESA-N 1 0 394.441 3.699 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(SCC#N)c1 ZINC000361364732 916666097 /nfs/dbraw/zinc/66/60/97/916666097.db2.gz MFMXQMOOIXMUCV-UTKZUKDTSA-N 1 0 379.529 3.943 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)C2)cc1 ZINC001189746539 916868159 /nfs/dbraw/zinc/86/81/59/916868159.db2.gz SQMJUUSLOQIFAI-HXUWFJFHSA-N 1 0 393.487 3.821 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(F)c(Cl)c(C#N)c2Cl)c1 ZINC001189847832 916976624 /nfs/dbraw/zinc/97/66/24/916976624.db2.gz ZVMGZPRRDNVKKM-UHFFFAOYSA-N 1 0 380.250 3.996 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000775334972 916992028 /nfs/dbraw/zinc/99/20/28/916992028.db2.gz AYBRNZLIJMFLIJ-DTWKUNHWSA-N 1 0 383.320 3.932 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001190216699 917203373 /nfs/dbraw/zinc/20/33/73/917203373.db2.gz LEODKZFNBRHNGO-AUSIDOKSSA-N 1 0 395.478 3.507 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295822058 917524301 /nfs/dbraw/zinc/52/43/01/917524301.db2.gz AIFBIQMBMPUMKW-SFTDATJTSA-N 1 0 395.551 3.664 20 30 GHEDRO C=CCC1(S(=O)(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC001190836773 917590798 /nfs/dbraw/zinc/59/07/98/917590798.db2.gz ZMIKPPOJDDPRHZ-UHFFFAOYSA-N 1 0 382.957 3.580 20 30 GHEDRO CC(C)(C)N(C(=O)c1cccc(C(C)(C)C#N)c1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001190928228 917643771 /nfs/dbraw/zinc/64/37/71/917643771.db2.gz MLKIYTXYHFBDOO-IBGZPJMESA-N 1 0 383.536 3.640 20 30 GHEDRO CCCCCCCCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(OC)c1 ZINC001191072224 917737933 /nfs/dbraw/zinc/73/79/33/917737933.db2.gz BVBJKCDYYARNMV-UHFFFAOYSA-N 1 0 376.545 3.929 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C#N)ccc1F ZINC000363169051 917858123 /nfs/dbraw/zinc/85/81/23/917858123.db2.gz JMPQMAJYODUBTA-HXUWFJFHSA-N 1 0 394.494 3.751 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)n[nH]1 ZINC001191353033 917922264 /nfs/dbraw/zinc/92/22/64/917922264.db2.gz YDTRWQPPWMYWLZ-IBGZPJMESA-N 1 0 390.487 3.619 20 30 GHEDRO N#Cc1ccc(OC2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000796514054 917944006 /nfs/dbraw/zinc/94/40/06/917944006.db2.gz FKZZUDZHRPYXGI-IBGZPJMESA-N 1 0 376.378 3.552 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)[NH+]1CCCCC1 ZINC000296420302 918250827 /nfs/dbraw/zinc/25/08/27/918250827.db2.gz MVBIFUAZZPWTCT-CMKODMSKSA-N 1 0 384.524 3.604 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC001191943345 918311634 /nfs/dbraw/zinc/31/16/34/918311634.db2.gz HQOPITAAEUCQRN-NNZMDNLPSA-N 1 0 381.426 3.762 20 30 GHEDRO CCC[N@H+](CCOc1c(Cl)cc(Cl)cc1Cl)CC(=O)NCCC#N ZINC000796581917 918383086 /nfs/dbraw/zinc/38/30/86/918383086.db2.gz UHHAJEDIIPEBQU-UHFFFAOYSA-N 1 0 392.714 3.767 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001192256833 918542448 /nfs/dbraw/zinc/54/24/48/918542448.db2.gz KTKVWQMZRBPXAP-UHFFFAOYSA-N 1 0 398.422 3.714 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000296656360 918547203 /nfs/dbraw/zinc/54/72/03/918547203.db2.gz ZDEWOQGIFNJPQI-UHFFFAOYSA-N 1 0 396.535 3.639 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000796603658 918787287 /nfs/dbraw/zinc/78/72/87/918787287.db2.gz YGPFKUSQKUVOLL-OAQYLSRUSA-N 1 0 390.531 3.503 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000796601870 918794123 /nfs/dbraw/zinc/79/41/23/918794123.db2.gz NRLJXWHJCWKGLW-NRFANRHFSA-N 1 0 390.531 3.585 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000796601871 918794362 /nfs/dbraw/zinc/79/43/62/918794362.db2.gz NRLJXWHJCWKGLW-OAQYLSRUSA-N 1 0 390.531 3.585 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000297229647 919164905 /nfs/dbraw/zinc/16/49/05/919164905.db2.gz TZPKPQHRUODQBR-UHFFFAOYSA-N 1 0 393.531 3.822 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000114689033 919410649 /nfs/dbraw/zinc/41/06/49/919410649.db2.gz QJWFIJLMURCRAK-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000114751818 919415655 /nfs/dbraw/zinc/41/56/55/919415655.db2.gz WRSBYFMNTHCAHE-IERDGZPVSA-N 1 0 395.528 3.753 20 30 GHEDRO CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115599733 919459289 /nfs/dbraw/zinc/45/92/89/919459289.db2.gz JIPIXFYDLVGPLK-OAQYLSRUSA-N 1 0 379.504 3.687 20 30 GHEDRO COc1cc(CN(C)Cc2cnn(C)c2)ccc1OCc1cccc(C#N)c1 ZINC000116876718 919523147 /nfs/dbraw/zinc/52/31/47/919523147.db2.gz HRYDVKYKRKFSBG-UHFFFAOYSA-N 1 0 376.460 3.511 20 30 GHEDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCCC2)c1 ZINC000119809445 919657409 /nfs/dbraw/zinc/65/74/09/919657409.db2.gz XBSOCNBTYOHXHK-XMMPIXPASA-N 1 0 392.547 3.972 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)ccc1Br)CC2 ZINC001275927780 919809941 /nfs/dbraw/zinc/80/99/41/919809941.db2.gz WERGSKQEVJKDDX-MRXNPFEDSA-N 1 0 377.326 3.662 20 30 GHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000298407312 920504209 /nfs/dbraw/zinc/50/42/09/920504209.db2.gz PASBJKGLOHJKIZ-UHFFFAOYSA-N 1 0 392.503 3.833 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)[NH+]1CCCC1 ZINC000298467033 920570750 /nfs/dbraw/zinc/57/07/50/920570750.db2.gz PACRQJGJAYCFRI-HXUWFJFHSA-N 1 0 378.476 3.720 20 30 GHEDRO C=CCC1(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)CCOCC1 ZINC000900836541 920647370 /nfs/dbraw/zinc/64/73/70/920647370.db2.gz WHMATAZCYZYMGK-UHFFFAOYSA-N 1 0 378.516 3.855 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)s3)CC2)C1=O ZINC001275980609 920699966 /nfs/dbraw/zinc/69/99/66/920699966.db2.gz SYEHJQLLBJDBOS-KRWDZBQOSA-N 1 0 383.355 3.901 20 30 GHEDRO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@@H]1C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298800246 920941024 /nfs/dbraw/zinc/94/10/24/920941024.db2.gz NOVQEUXHDOGYDO-PKOBYXMFSA-N 1 0 378.476 3.556 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)o2)cc1 ZINC000367583596 922214265 /nfs/dbraw/zinc/21/42/65/922214265.db2.gz DJVWHRNCEGIIKI-DEOSSOPVSA-N 1 0 399.498 3.706 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000802560193 922220025 /nfs/dbraw/zinc/22/00/25/922220025.db2.gz ORGKMCADBGLNFR-KRWDZBQOSA-N 1 0 386.931 3.634 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000367598063 922221498 /nfs/dbraw/zinc/22/14/98/922221498.db2.gz UUCCWVSCLKHKTI-UHFFFAOYSA-N 1 0 392.522 3.920 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCC(c3nc(C)no3)CC2)ccc1OC ZINC000368359966 922621510 /nfs/dbraw/zinc/62/15/10/922621510.db2.gz FKEYTYORNFGLEZ-ABHNRTSZSA-N 1 0 384.480 3.884 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cc(C#N)ccn1 ZINC000903010605 922706881 /nfs/dbraw/zinc/70/68/81/922706881.db2.gz NZOJCVTYRWFXJZ-CZUORRHYSA-N 1 0 379.414 3.761 20 30 GHEDRO Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2cc(C#N)ccn2)cc1Br ZINC000903012535 922709635 /nfs/dbraw/zinc/70/96/35/922709635.db2.gz QDQQJRKQWITMSH-RHSMWYFYSA-N 1 0 388.309 3.526 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(C2(O)CCC2)CC1 ZINC000903257560 922887354 /nfs/dbraw/zinc/88/73/54/922887354.db2.gz HHDWRAMSIHVBOV-QGZVFWFLSA-N 1 0 391.556 3.591 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000803856986 923321262 /nfs/dbraw/zinc/32/12/62/923321262.db2.gz VVVYRRPFBXIMCV-PMACEKPBSA-N 1 0 399.535 3.746 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC12CCOCC2)c1cccc(Cl)c1 ZINC000370316038 924030997 /nfs/dbraw/zinc/03/09/97/924030997.db2.gz RMUZPHCTOMZGSW-GOSISDBHSA-N 1 0 375.900 3.526 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc1 ZINC000678346552 924736628 /nfs/dbraw/zinc/73/66/28/924736628.db2.gz KTZKCBWNRLEMRZ-QFIPXVFZSA-N 1 0 380.488 3.827 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409813655 925023954 /nfs/dbraw/zinc/02/39/54/925023954.db2.gz QYGWJOOKIHUDBD-WIYYLYMNSA-N 1 0 399.498 3.527 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(C)ccc1Br)CC2 ZINC001137382470 925201662 /nfs/dbraw/zinc/20/16/62/925201662.db2.gz XJVVZPUPCURGAJ-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3c(O)cccc3Br)CC2)C1=O ZINC001276077105 925241286 /nfs/dbraw/zinc/24/12/86/925241286.db2.gz LTBSYMTZMDQFLF-UHFFFAOYSA-N 1 0 393.325 3.545 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC[C@@H]21 ZINC000827318460 925268296 /nfs/dbraw/zinc/26/82/96/925268296.db2.gz GYPMVTOQPWZMIH-UZLBHIALSA-N 1 0 379.435 3.656 20 30 GHEDRO C=CCN1CC[C@@H]([NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1=O ZINC000410304738 925513438 /nfs/dbraw/zinc/51/34/38/925513438.db2.gz DYZLUOCXCJHPNP-MRXNPFEDSA-N 1 0 375.925 3.916 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)c1C#N ZINC000133268135 926163190 /nfs/dbraw/zinc/16/31/90/926163190.db2.gz CRNNQXOBYYRPMR-UHFFFAOYSA-N 1 0 387.443 3.514 20 30 GHEDRO N#CC[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000373516093 926212678 /nfs/dbraw/zinc/21/26/78/926212678.db2.gz PHENCSVUTILBFV-QFIPXVFZSA-N 1 0 386.499 3.749 20 30 GHEDRO COc1ccccc1C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000411517674 926486470 /nfs/dbraw/zinc/48/64/70/926486470.db2.gz NGSHXRPIPGMTIN-MSOLQXFVSA-N 1 0 383.517 3.591 20 30 GHEDRO Cc1noc(C2CCC([NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)CC2)n1 ZINC000373904636 926542403 /nfs/dbraw/zinc/54/24/03/926542403.db2.gz NHRUKXJGVLCBJG-ABHNRTSZSA-N 1 0 383.471 3.674 20 30 GHEDRO CCOC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)C ZINC000411716636 926674616 /nfs/dbraw/zinc/67/46/16/926674616.db2.gz FULZEUOYHLRLQP-PBHICJAKSA-N 1 0 377.554 3.724 20 30 GHEDRO CCCC[N@H+](CN1CC(=O)N(Cc2ccccc2C#N)C1=O)C1CCCCC1 ZINC000726590199 926747122 /nfs/dbraw/zinc/74/71/22/926747122.db2.gz SLXIKAOFHLJQOO-UHFFFAOYSA-N 1 0 382.508 3.715 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411812377 926798703 /nfs/dbraw/zinc/79/87/03/926798703.db2.gz XSARUGYNDKUBRQ-KBRIMQKVSA-N 1 0 375.538 3.620 20 30 GHEDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCC1 ZINC000412019512 927017212 /nfs/dbraw/zinc/01/72/12/927017212.db2.gz FOYWDIPXQJSXAY-UONOGXRCSA-N 1 0 375.538 3.620 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000749576824 927198064 /nfs/dbraw/zinc/19/80/64/927198064.db2.gz UNWFHWFYTPGFMD-MSOLQXFVSA-N 1 0 382.533 3.959 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(F)c1 ZINC000412571317 927589300 /nfs/dbraw/zinc/58/93/00/927589300.db2.gz JPMCRMGTCFHQBB-UHFFFAOYSA-N 1 0 398.457 3.753 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(CCCC)s1)C2 ZINC001276220210 927890198 /nfs/dbraw/zinc/89/01/98/927890198.db2.gz JAKCPIDWXKCBBX-NRFANRHFSA-N 1 0 376.566 3.718 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(CCCC)s1)C2 ZINC001276220211 927890759 /nfs/dbraw/zinc/89/07/59/927890759.db2.gz JAKCPIDWXKCBBX-OAQYLSRUSA-N 1 0 376.566 3.718 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000750995724 927971677 /nfs/dbraw/zinc/97/16/77/927971677.db2.gz MGKJFEDHXGFQRB-UHFFFAOYSA-N 1 0 384.524 3.521 20 30 GHEDRO COc1ccc([C@@H](CNc2cc(C(F)(F)F)cnc2C#N)[NH+](C)C)cc1OC ZINC000413026957 928118404 /nfs/dbraw/zinc/11/84/04/928118404.db2.gz KNGDAOQKRJJSQD-MRXNPFEDSA-N 1 0 394.397 3.704 20 30 GHEDRO C=CCN(Cn1nc(-c2ccc(I)cc2)nc1C)C(C)C ZINC000751594509 928265379 /nfs/dbraw/zinc/26/53/79/928265379.db2.gz XRQGEHOWGXYLKD-UHFFFAOYSA-N 1 0 396.276 3.712 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@H](C(=O)OC)c2cccc(C#N)c2)cc1)C(C)C ZINC000751655614 928304921 /nfs/dbraw/zinc/30/49/21/928304921.db2.gz BIXAXMQWWUCTHG-NRFANRHFSA-N 1 0 394.471 3.860 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Br)c2)CC1 ZINC000413229318 928344916 /nfs/dbraw/zinc/34/49/16/928344916.db2.gz CKLJCJAKCVNFAZ-UHFFFAOYSA-N 1 0 386.721 3.552 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc2[nH]c(C)nc2c1 ZINC000467203615 928820130 /nfs/dbraw/zinc/82/01/30/928820130.db2.gz AVHMHRDBGXUANH-UHFFFAOYSA-N 1 0 396.564 3.970 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000467297658 928931520 /nfs/dbraw/zinc/93/15/20/928931520.db2.gz IOGGLLKJEVXFQF-JKSUJKDBSA-N 1 0 389.565 3.822 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000467310838 928945759 /nfs/dbraw/zinc/94/57/59/928945759.db2.gz YFTNCWQZACFOHW-OAHLLOKOSA-N 1 0 375.538 3.576 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)C1=O ZINC000467519036 929150877 /nfs/dbraw/zinc/15/08/77/929150877.db2.gz HRDQTNDAAISBOD-QFIPXVFZSA-N 1 0 396.487 3.715 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000544535945 929267203 /nfs/dbraw/zinc/26/72/03/929267203.db2.gz RZOWRPAKTZNKJR-QZTJIDSGSA-N 1 0 392.503 3.888 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)CC2(C#N)CCCC2)CCCC1)c1ccccc1 ZINC000544724326 929501973 /nfs/dbraw/zinc/50/19/73/929501973.db2.gz FQNPTJUXNVOUAC-SFHVURJKSA-N 1 0 389.565 3.653 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@@H+]1C1CC1 ZINC000753918494 929591933 /nfs/dbraw/zinc/59/19/33/929591933.db2.gz NJMYUYPTKQUGTA-PBHICJAKSA-N 1 0 380.517 3.711 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2c1c(F)ccc2O ZINC000757637414 929753400 /nfs/dbraw/zinc/75/34/00/929753400.db2.gz HSTIYQFWBKOIAY-XWIAVFTESA-N 1 0 379.435 3.736 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2c1c(F)ccc2O ZINC000757637402 929753614 /nfs/dbraw/zinc/75/36/14/929753614.db2.gz HSTIYQFWBKOIAY-BVGQSLNGSA-N 1 0 379.435 3.736 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)cc1OC ZINC000545999383 929759624 /nfs/dbraw/zinc/75/96/24/929759624.db2.gz ONBIGRBEZLOWNE-HXUWFJFHSA-N 1 0 392.503 3.943 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1(C#N)CCC1 ZINC000469288215 929764203 /nfs/dbraw/zinc/76/42/03/929764203.db2.gz HRQWBSYKUHDJEC-DLBZAZTESA-N 1 0 390.487 3.540 20 30 GHEDRO C=CCc1ccc(OCC(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c(OC)c1 ZINC000469351115 929811560 /nfs/dbraw/zinc/81/15/60/929811560.db2.gz SOZKFOPCHYBAIT-IBGZPJMESA-N 1 0 396.487 3.826 20 30 GHEDRO CS[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1[NH+](C)C ZINC000546127300 929880826 /nfs/dbraw/zinc/88/08/26/929880826.db2.gz BSDGCHIBXCWVMZ-PMACEKPBSA-N 1 0 396.516 3.860 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000469460477 929913822 /nfs/dbraw/zinc/91/38/22/929913822.db2.gz HMNLYDNVGOWVAU-IBGZPJMESA-N 1 0 386.442 3.531 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000470052942 930349288 /nfs/dbraw/zinc/34/92/88/930349288.db2.gz FUWYUBCHBYUGEY-OAHLLOKOSA-N 1 0 394.357 3.720 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000759441660 930369279 /nfs/dbraw/zinc/36/92/79/930369279.db2.gz GIAJGRNDMJBCIM-PMACEKPBSA-N 1 0 381.476 3.848 20 30 GHEDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000470206425 930451892 /nfs/dbraw/zinc/45/18/92/930451892.db2.gz KEDGBRDWVIHWEK-IIBYNOLFSA-N 1 0 391.943 3.754 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000780745579 930589943 /nfs/dbraw/zinc/58/99/43/930589943.db2.gz RKYRFJKGDPFVGR-VXKWHMMOSA-N 1 0 376.504 3.861 20 30 GHEDRO CC1(c2ccc(Cl)cc2)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000470869460 930984375 /nfs/dbraw/zinc/98/43/75/930984375.db2.gz DJEMGNSXPPMRPR-UHFFFAOYSA-N 1 0 381.907 3.882 20 30 GHEDRO COC(=O)c1ccc(NN=C(C)c2ccc(OCC[NH+](C)C)cc2)cc1Cl ZINC000782237434 931133357 /nfs/dbraw/zinc/13/33/57/931133357.db2.gz DSYSOCHBILPBJJ-UHFFFAOYSA-N 1 0 389.883 3.903 20 30 GHEDRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000783279749 931481036 /nfs/dbraw/zinc/48/10/36/931481036.db2.gz YADDCHHQDBKSTO-LPHOPBHVSA-N 1 0 385.508 3.551 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000557520617 931517252 /nfs/dbraw/zinc/51/72/52/931517252.db2.gz CPGGEWWRYHNDLY-YOEHRIQHSA-N 1 0 397.357 3.795 20 30 GHEDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000783594006 931590569 /nfs/dbraw/zinc/59/05/69/931590569.db2.gz RECOZUDIGAPQLX-UHFFFAOYSA-N 1 0 384.568 3.897 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000924989975 931604700 /nfs/dbraw/zinc/60/47/00/931604700.db2.gz WOYKHFCQJWJXTJ-AFYVEPGGSA-N 1 0 377.573 3.793 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000925314561 931739896 /nfs/dbraw/zinc/73/98/96/931739896.db2.gz HCAKAWWIOLRCPT-KKSFZXQISA-N 1 0 378.476 3.546 20 30 GHEDRO N#CCc1ccccc1CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000784324052 931855582 /nfs/dbraw/zinc/85/55/82/931855582.db2.gz CTXINRFQAZRPKU-RBZQAINGSA-N 1 0 387.527 3.712 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000784329455 931859318 /nfs/dbraw/zinc/85/93/18/931859318.db2.gz TVUMLRHIGQERBO-INIZCTEOSA-N 1 0 381.442 3.855 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558397944 931978514 /nfs/dbraw/zinc/97/85/14/931978514.db2.gz UXYVRANOFMKNTM-NQIIRXRSSA-N 1 0 397.544 3.596 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)c2)cc1 ZINC000926017413 932002586 /nfs/dbraw/zinc/00/25/86/932002586.db2.gz FCKKKCWKAPXLPE-IAGOWNOFSA-N 1 0 390.365 3.704 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000558515210 932047953 /nfs/dbraw/zinc/04/79/53/932047953.db2.gz TYRUXIAFKSJEGK-PPXMBRMGSA-N 1 0 396.535 3.516 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000926115100 932054362 /nfs/dbraw/zinc/05/43/62/932054362.db2.gz RTDWXRDSUMVMAN-SQNIBIBYSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCCCO1 ZINC000926121953 932056267 /nfs/dbraw/zinc/05/62/67/932056267.db2.gz KOLFYUPHOHVWLF-ROUUACIJSA-N 1 0 379.545 3.855 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000796771154 932060947 /nfs/dbraw/zinc/06/09/47/932060947.db2.gz WKOIXBRUQOSNLL-AWEZNQCLSA-N 1 0 391.562 3.849 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)ccc1OC ZINC000796824070 932080510 /nfs/dbraw/zinc/08/05/10/932080510.db2.gz DTBHHNWEDWFSKZ-RHSMWYFYSA-N 1 0 395.459 3.558 20 30 GHEDRO COc1cc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1C#N ZINC000558602219 932100851 /nfs/dbraw/zinc/10/08/51/932100851.db2.gz RVLWJHGWIZVOKM-KRWDZBQOSA-N 1 0 392.503 3.592 20 30 GHEDRO CCc1ncc(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000926538217 932221153 /nfs/dbraw/zinc/22/11/53/932221153.db2.gz RNBALSIYBDHDPQ-HNNXBMFYSA-N 1 0 376.501 3.646 20 30 GHEDRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)CC(C)(C)C#N)cc1Br ZINC000926537441 932221224 /nfs/dbraw/zinc/22/12/24/932221224.db2.gz KCFHACOASAVQHL-HIFRSBDPSA-N 1 0 383.330 3.527 20 30 GHEDRO O=C(OCc1ccccc1)N1CCC(C=[NH+]n2cnnc2-c2ccccc2)CC1 ZINC000797400462 932271430 /nfs/dbraw/zinc/27/14/30/932271430.db2.gz CCJHDWCUUPTOLW-UHFFFAOYSA-N 1 0 389.459 3.828 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(OC(F)F)c1 ZINC000558861826 932278993 /nfs/dbraw/zinc/27/89/93/932278993.db2.gz DQDOJWLGILBRHI-UHFFFAOYSA-N 1 0 395.413 3.905 20 30 GHEDRO N#Cc1ncc(Br)cc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000798216352 932566419 /nfs/dbraw/zinc/56/64/19/932566419.db2.gz MSQPWWGVTZTGQP-INIZCTEOSA-N 1 0 385.309 3.692 20 30 GHEDRO N#Cc1ncc(Br)cc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000798216528 932566538 /nfs/dbraw/zinc/56/65/38/932566538.db2.gz FQTQMUVETYEHAJ-UHFFFAOYSA-N 1 0 389.272 3.931 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000798498794 932673962 /nfs/dbraw/zinc/67/39/62/932673962.db2.gz IKMFJZBCSICFJQ-UHFFFAOYSA-N 1 0 398.938 3.816 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C#N ZINC000799338626 932956635 /nfs/dbraw/zinc/95/66/35/932956635.db2.gz VUYUWJZIAAJQBY-KRWDZBQOSA-N 1 0 387.430 3.927 20 30 GHEDRO C[NH+](C)CCn1ncc(C(=O)Nc2ccc(CCC#N)cc2)c1-c1ccccc1 ZINC000928402485 932969644 /nfs/dbraw/zinc/96/96/44/932969644.db2.gz VDQMMNXXBYSQGO-UHFFFAOYSA-N 1 0 387.487 3.820 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1ccc(C)c(C#N)c1)[NH+]1CCCCC1 ZINC000799564886 933040181 /nfs/dbraw/zinc/04/01/81/933040181.db2.gz HZQSTSLQPIVZLS-NRFANRHFSA-N 1 0 377.488 3.832 20 30 GHEDRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C#N)c(OC)c2)cn1 ZINC000799735283 933103886 /nfs/dbraw/zinc/10/38/86/933103886.db2.gz NPMLUTUXYRILDM-QFIPXVFZSA-N 1 0 390.487 3.519 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000560179854 933113655 /nfs/dbraw/zinc/11/36/55/933113655.db2.gz WRBUNHCEWBUEPA-HXUWFJFHSA-N 1 0 396.453 3.963 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000560258761 933166505 /nfs/dbraw/zinc/16/65/05/933166505.db2.gz CVBCLPSUEMAUJY-GHTZIAJQSA-N 1 0 399.420 3.548 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1OC ZINC000560550202 933333705 /nfs/dbraw/zinc/33/37/05/933333705.db2.gz JHXDTSLJJPBUHI-OXQOHEQNSA-N 1 0 393.487 3.730 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)C2(C#N)CCSCC2)c2cccs2)CC1 ZINC000929354264 933366700 /nfs/dbraw/zinc/36/67/00/933366700.db2.gz IIPSOKJKQZPYLX-INIZCTEOSA-N 1 0 377.579 3.674 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C3CCC(CO)CC3)sc2C1 ZINC000560693723 933468797 /nfs/dbraw/zinc/46/87/97/933468797.db2.gz OKBXORPGNCNLQJ-QQFBHYJXSA-N 1 0 389.565 3.556 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000561209337 933961553 /nfs/dbraw/zinc/96/15/53/933961553.db2.gz YQKMVDPIMXNWNX-UHFFFAOYSA-N 1 0 378.236 3.737 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001117689686 933984524 /nfs/dbraw/zinc/98/45/24/933984524.db2.gz VFMGCYUISXDJIC-PXNSSMCTSA-N 1 0 383.540 3.696 20 30 GHEDRO N#Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1Cl ZINC001117947198 934065477 /nfs/dbraw/zinc/06/54/77/934065477.db2.gz OYORMUWZPTZQEQ-YQQQUEKLSA-N 1 0 394.906 3.922 20 30 GHEDRO COc1ccc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC001118146630 934098394 /nfs/dbraw/zinc/09/83/94/934098394.db2.gz CDOZEXHGRPJQDX-UHFFFAOYSA-N 1 0 377.366 3.704 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1 ZINC000930569747 934109193 /nfs/dbraw/zinc/10/91/93/934109193.db2.gz ZHQYWOXQJSEZAV-KRWDZBQOSA-N 1 0 391.471 3.694 20 30 GHEDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc(OCC#N)c2)c1O ZINC001118325061 934138573 /nfs/dbraw/zinc/13/85/73/934138573.db2.gz CQZLXPOGAYTEJJ-LBPRGKRZSA-N 1 0 391.265 3.916 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N(C(=O)C(F)(F)F)c3cccnc3)CC2)cc1 ZINC000931001232 934331635 /nfs/dbraw/zinc/33/16/35/934331635.db2.gz LSCKQDPKUQXYGK-UHFFFAOYSA-N 1 0 388.393 3.513 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000561650883 934338579 /nfs/dbraw/zinc/33/85/79/934338579.db2.gz LPWSJKOIHUXNRQ-QFIPXVFZSA-N 1 0 379.504 3.697 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)CC(=O)Nc1ccccc1SCC#N ZINC000561787822 934453134 /nfs/dbraw/zinc/45/31/34/934453134.db2.gz PEQVGGPNBNZNEI-UHFFFAOYSA-N 1 0 388.581 3.829 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccnc3ccccc23)c(OC)c1 ZINC001120469507 934467426 /nfs/dbraw/zinc/46/74/26/934467426.db2.gz ZFMOIQIJRJKNNT-IBGZPJMESA-N 1 0 378.472 3.501 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC001120469514 934467467 /nfs/dbraw/zinc/46/74/67/934467467.db2.gz ZNPNVSXCTIUAOO-WMZOPIPTSA-N 1 0 378.476 3.579 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ncco3)CC1)CCCC2 ZINC000931451035 934567111 /nfs/dbraw/zinc/56/71/11/934567111.db2.gz NHVDWHANYBURKN-UHFFFAOYSA-N 1 0 384.505 3.695 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cnc2ccc(Br)cn12 ZINC000561983903 934605291 /nfs/dbraw/zinc/60/52/91/934605291.db2.gz ZNMRIKLIAYOFIQ-UHFFFAOYSA-N 1 0 399.292 3.617 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](CO)c3ccccc3Cl)CC2)cc1 ZINC000562039379 934652992 /nfs/dbraw/zinc/65/29/92/934652992.db2.gz GWBRLHWMMMJKHU-IBGZPJMESA-N 1 0 383.923 3.542 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001121501577 934676396 /nfs/dbraw/zinc/67/63/96/934676396.db2.gz BLNYYXFOPXIJGD-RBUKOAKNSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c([C@@H]2CC=NO2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001121559611 934697867 /nfs/dbraw/zinc/69/78/67/934697867.db2.gz QAPVZKGSCALJNJ-SXLOBPIMSA-N 1 0 394.523 3.573 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC001121567837 934700504 /nfs/dbraw/zinc/70/05/04/934700504.db2.gz YAJQUMOWIIDISI-IEBWSBKVSA-N 1 0 399.514 3.763 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001121595046 934710513 /nfs/dbraw/zinc/71/05/13/934710513.db2.gz HPVUNBRSBGKLIV-HLAWJBBLSA-N 1 0 399.583 3.939 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001121636119 934721184 /nfs/dbraw/zinc/72/11/84/934721184.db2.gz DKPIUYXKCCPDQG-UHFFFAOYSA-N 1 0 398.555 3.862 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2sccc2C#N)CCOCC1)c1ccccc1 ZINC000931842129 934744266 /nfs/dbraw/zinc/74/42/66/934744266.db2.gz GIYNQSMJHOMAFI-OAHLLOKOSA-N 1 0 384.505 3.641 20 30 GHEDRO CC(C)Cn1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC000562263483 934794947 /nfs/dbraw/zinc/79/49/47/934794947.db2.gz VXBYAHBWJMEQCL-UHFFFAOYSA-N 1 0 394.567 3.816 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)c1 ZINC000932004767 934798255 /nfs/dbraw/zinc/79/82/55/934798255.db2.gz GZSUJIUTZRHGBL-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2nnc(CCCC#N)n2Cc2ccccc2)CC1 ZINC001122052204 934809152 /nfs/dbraw/zinc/80/91/52/934809152.db2.gz MFMCVZCCERDXKO-UHFFFAOYSA-N 1 0 392.551 3.627 20 30 GHEDRO CCCCCCCC[C@H]([NH3+])C(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC001122056019 934810222 /nfs/dbraw/zinc/81/02/22/934810222.db2.gz AWVUSVMEFHFEBO-PMACEKPBSA-N 1 0 391.600 3.706 20 30 GHEDRO [NH3+][C@@H]1CC[C@H](CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC001122239659 934848222 /nfs/dbraw/zinc/84/82/22/934848222.db2.gz DJJNWKXMPZLZLK-JOYOIKCWSA-N 1 0 386.311 3.833 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3c3ccnn3C)sc2C1 ZINC000932266866 934863691 /nfs/dbraw/zinc/86/36/91/934863691.db2.gz VNBZKOMIKRQYIZ-KDOFPFPSSA-N 1 0 397.548 3.644 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001122553777 934898567 /nfs/dbraw/zinc/89/85/67/934898567.db2.gz XNQLOYMKGABJHQ-XUVXKRRUSA-N 1 0 394.567 3.700 20 30 GHEDRO COc1ccc([C@H]2[C@H](COC(=O)C3(C#N)CCSCC3)CCC[N@@H+]2C)cc1 ZINC001122702337 934954940 /nfs/dbraw/zinc/95/49/40/934954940.db2.gz HKOCATXAUDSCHI-HKUYNNGSSA-N 1 0 388.533 3.658 20 30 GHEDRO Cn1nc2ccccc2c1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001122994672 935050182 /nfs/dbraw/zinc/05/01/82/935050182.db2.gz FWXMSWMYKUPSNT-UHFFFAOYSA-N 1 0 388.471 3.536 20 30 GHEDRO N#Cc1ccc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(Br)c1 ZINC001137638242 935653857 /nfs/dbraw/zinc/65/38/57/935653857.db2.gz YSJSKNKPHREJMJ-PMACEKPBSA-N 1 0 396.332 3.885 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C)cc3Br)C2)C1=O ZINC001137804901 935799256 /nfs/dbraw/zinc/79/92/56/935799256.db2.gz ZKWABCVVNOJKTJ-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000829649608 935838789 /nfs/dbraw/zinc/83/87/89/935838789.db2.gz DLRFXNNYSACOBN-BBRMVZONSA-N 1 0 395.450 3.895 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC001137902623 935856622 /nfs/dbraw/zinc/85/66/22/935856622.db2.gz LICRJILZWPYTGA-NRFANRHFSA-N 1 0 382.458 3.851 20 30 GHEDRO Cc1cnc(N2CC[NH+](Cc3ccc(N(C)c4ccc(C#N)cc4)cc3)CC2)nc1 ZINC001137904078 935857476 /nfs/dbraw/zinc/85/74/76/935857476.db2.gz LMEZDHGRHHKZEQ-UHFFFAOYSA-N 1 0 398.514 3.747 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000830401178 935940645 /nfs/dbraw/zinc/94/06/45/935940645.db2.gz GPWVLOXXAYNHEE-DENIHFKCSA-N 1 0 377.463 3.824 20 30 GHEDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000830402067 935940812 /nfs/dbraw/zinc/94/08/12/935940812.db2.gz UMJKGBRQSMYMLQ-FCHUYYIVSA-N 1 0 389.499 3.694 20 30 GHEDRO C#CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCCc2ccccc21 ZINC001220747966 1032098342 /nfs/dbraw/zinc/09/83/42/1032098342.db2.gz ODYASEIGQJNULH-HSZRJFAPSA-N 1 0 375.516 3.971 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)Nc3sccc3C#N)CCCCC2)CCO1 ZINC001626074435 1014856543 /nfs/dbraw/zinc/85/65/43/1014856543.db2.gz PXJOLULZVARCGS-UHFFFAOYSA-N 1 0 376.526 3.555 20 30 GHEDRO CCN(CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544893956 1015169023 /nfs/dbraw/zinc/16/90/23/1015169023.db2.gz JQJZHYGSLHTFBB-HSZRJFAPSA-N 1 0 390.531 3.530 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CCO)C2CCCCC2)ccc1Cl ZINC000544896959 1015173561 /nfs/dbraw/zinc/17/35/61/1015173561.db2.gz LMPFBPSBPZJFEM-FQEVSTJZSA-N 1 0 391.943 3.816 20 30 GHEDRO COc1cc(OC)cc(N2CCC[N@H+](CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000468127677 1015306054 /nfs/dbraw/zinc/30/60/54/1015306054.db2.gz UZYRJKWREUKLLQ-UHFFFAOYSA-N 1 0 384.907 3.921 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc(C#N)cc1OC ZINC000545294644 1015748547 /nfs/dbraw/zinc/74/85/47/1015748547.db2.gz NJPVRNATKDMHMI-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(CC#N)cc1 ZINC001226901584 1032185049 /nfs/dbraw/zinc/18/50/49/1032185049.db2.gz IMSWEXLDOZUFIA-JOCHJYFZSA-N 1 0 378.520 3.708 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)NCC#Cc2ccccc2)[NH+](C)C)cc1 ZINC001220936452 1032197500 /nfs/dbraw/zinc/19/75/00/1032197500.db2.gz IZLUDGCKMPHULN-QHCPKHFHSA-N 1 0 377.532 3.839 20 30 GHEDRO CC(C)C[C@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)C(=O)OCc1ccccc1 ZINC001154736299 1032263940 /nfs/dbraw/zinc/26/39/40/1032263940.db2.gz JCWYRCXPBLKLBW-NRFANRHFSA-N 1 0 392.503 3.559 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(C)cc(Cl)cc1C)C2 ZINC001277235202 1032531856 /nfs/dbraw/zinc/53/18/56/1032531856.db2.gz MOAKWJCYZMWZKB-OAQYLSRUSA-N 1 0 376.928 3.584 20 30 GHEDRO COc1nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(F)cc1C#N ZINC001155640644 1032617982 /nfs/dbraw/zinc/61/79/82/1032617982.db2.gz KFQNWRACPIWQHZ-JQERWDHBSA-N 1 0 382.483 3.500 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c(F)cccc3F)C[C@@H]2c2ccccc2)C1=O ZINC001204200021 1032652473 /nfs/dbraw/zinc/65/24/73/1032652473.db2.gz GUVYGWVZNUXYJB-XXBNENTESA-N 1 0 382.454 3.969 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cnn(C2CCCC2)c1 ZINC000558620942 1017242876 /nfs/dbraw/zinc/24/28/76/1017242876.db2.gz ZNZLRFFHQFWSCX-IIBYNOLFSA-N 1 0 377.492 3.716 20 30 GHEDRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000558805556 1017291525 /nfs/dbraw/zinc/29/15/25/1017291525.db2.gz ITVPUSRROMNXHF-XZOQPEGZSA-N 1 0 375.516 3.815 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000926859552 1017317750 /nfs/dbraw/zinc/31/77/50/1017317750.db2.gz HXRXUQDAPBMARR-ROUUACIJSA-N 1 0 391.556 3.997 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000559028156 1017341565 /nfs/dbraw/zinc/34/15/65/1017341565.db2.gz VAYUQQSHOPHGRB-UHFFFAOYSA-N 1 0 392.551 3.949 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001227924384 1032696944 /nfs/dbraw/zinc/69/69/44/1032696944.db2.gz MJLZMDMTUIQSSF-HXUWFJFHSA-N 1 0 397.563 3.885 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000928659330 1017542449 /nfs/dbraw/zinc/54/24/49/1017542449.db2.gz LWCHYSSFYGRWHU-MSOLQXFVSA-N 1 0 379.529 3.560 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cnccc3Br)CC2)C1=O ZINC001277258106 1032724474 /nfs/dbraw/zinc/72/44/74/1032724474.db2.gz RLQGUNPJWOIUTP-LJQANCHMSA-N 1 0 392.341 3.625 20 30 GHEDRO C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3cnccc3Br)C2)C1=O ZINC001277258229 1032724624 /nfs/dbraw/zinc/72/46/24/1032724624.db2.gz RYWYWZDINGKDJE-HXUWFJFHSA-N 1 0 398.304 3.520 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000561567200 1017891047 /nfs/dbraw/zinc/89/10/47/1017891047.db2.gz CXNWVENTJDUJJG-OAHLLOKOSA-N 1 0 383.458 3.928 20 30 GHEDRO COCCOCc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000561737302 1017934346 /nfs/dbraw/zinc/93/43/46/1017934346.db2.gz OASUEFFSPKSACB-NRFANRHFSA-N 1 0 397.494 3.619 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c(C(F)(F)F)c1 ZINC000562078331 1018030947 /nfs/dbraw/zinc/03/09/47/1018030947.db2.gz AJIAUSXCKVCOKC-UHFFFAOYSA-N 1 0 387.283 3.723 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)cc1 ZINC001204300677 1032740757 /nfs/dbraw/zinc/74/07/57/1032740757.db2.gz QXSCIFKTIAUHSP-JTHBVZDNSA-N 1 0 380.488 3.849 20 30 GHEDRO N=C(Nc1cccc(OCC[NH+]2CCCC2)n1)c1ccc(C(F)(F)F)cc1 ZINC001155851653 1032741362 /nfs/dbraw/zinc/74/13/62/1032741362.db2.gz YKDRUURWIQMNJY-UHFFFAOYSA-N 1 0 378.398 3.612 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)c2ncc(C)n2CCN3CC)cc1 ZINC001204301070 1032742640 /nfs/dbraw/zinc/74/26/40/1032742640.db2.gz MLECMJCHWZONBZ-UHFFFAOYSA-N 1 0 380.536 3.583 20 30 GHEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1=CCCC1 ZINC000562617543 1018408134 /nfs/dbraw/zinc/40/81/34/1018408134.db2.gz XZSRKJKSIXGJNJ-UHFFFAOYSA-N 1 0 380.536 3.912 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(CCC#N)cc2)c1 ZINC000932567308 1018468270 /nfs/dbraw/zinc/46/82/70/1018468270.db2.gz UJKHOLJSXAJHTB-UHFFFAOYSA-N 1 0 380.492 3.747 20 30 GHEDRO CSCC1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000932591349 1018500650 /nfs/dbraw/zinc/50/06/50/1018500650.db2.gz NTJICODIDZEXIV-HNNXBMFYSA-N 1 0 377.579 3.952 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000562663412 1018504081 /nfs/dbraw/zinc/50/40/81/1018504081.db2.gz GMQWUYPURRACBC-QXAHSBQVSA-N 1 0 380.513 3.551 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619800 1018535531 /nfs/dbraw/zinc/53/55/31/1018535531.db2.gz SHPJYQVDZOOIRN-UHFFFAOYSA-N 1 0 380.517 3.712 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932942708 1018771701 /nfs/dbraw/zinc/77/17/01/1018771701.db2.gz IHJDEWCCGORCJM-GARJFASQSA-N 1 0 381.307 3.906 20 30 GHEDRO FC1(F)C[C@@H]1OCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943934 1018773950 /nfs/dbraw/zinc/77/39/50/1018773950.db2.gz LJZPZQYLXJCTID-FXQIFTODSA-N 1 0 389.233 3.513 20 30 GHEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000563618544 1018935794 /nfs/dbraw/zinc/93/57/94/1018935794.db2.gz VFNLVDNUPSSRQA-SFHVURJKSA-N 1 0 376.909 3.596 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccccc4C#N)C3)C2)c1 ZINC001204370213 1032810769 /nfs/dbraw/zinc/81/07/69/1032810769.db2.gz UHNITRUBMNPTRV-XMMPIXPASA-N 1 0 386.499 3.549 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC001204411285 1032837397 /nfs/dbraw/zinc/83/73/97/1032837397.db2.gz MNTWXNNYZNFQBB-JPYJTQIMSA-N 1 0 393.506 3.851 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)CC2 ZINC000570438535 1019609196 /nfs/dbraw/zinc/60/91/96/1019609196.db2.gz FZQIDFZEBRGXBI-YADHBBJMSA-N 1 0 381.907 3.862 20 30 GHEDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1nc(Cl)nc(C)c1C#N ZINC001156018908 1032843550 /nfs/dbraw/zinc/84/35/50/1032843550.db2.gz LKDDGYVSKSIQFL-UHFFFAOYSA-N 1 0 381.867 3.730 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000572080249 1019737766 /nfs/dbraw/zinc/73/77/66/1019737766.db2.gz ISEQRMIJMPTDSP-UHFFFAOYSA-N 1 0 387.487 3.704 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000572430266 1019775046 /nfs/dbraw/zinc/77/50/46/1019775046.db2.gz LPHKAYPDYMCVRW-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1OC(F)(F)F)CC2 ZINC001204423521 1032854771 /nfs/dbraw/zinc/85/47/71/1032854771.db2.gz FRJGWXXJPXHYHG-UHFFFAOYSA-N 1 0 384.398 3.806 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000573467079 1019830595 /nfs/dbraw/zinc/83/05/95/1019830595.db2.gz OIRCDWBVWRXXFB-NZQKXSOJSA-N 1 0 391.490 3.753 20 30 GHEDRO N#CC[C@@H](CC(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000600678723 1020209177 /nfs/dbraw/zinc/20/91/77/1020209177.db2.gz TXSCRMBPUVLFEY-FQEVSTJZSA-N 1 0 386.499 3.900 20 30 GHEDRO Cc1ccc(Oc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600720809 1020225552 /nfs/dbraw/zinc/22/55/52/1020225552.db2.gz HVOGNLMAHADRTL-FQEVSTJZSA-N 1 0 380.488 3.948 20 30 GHEDRO CC(C)N(CCC[NH3+])C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001156124434 1032890307 /nfs/dbraw/zinc/89/03/07/1032890307.db2.gz JGGKFUNTEUUHSI-UHFFFAOYSA-N 1 0 379.842 3.777 20 30 GHEDRO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1Cl ZINC000579540888 1020419261 /nfs/dbraw/zinc/41/92/61/1020419261.db2.gz BWKAKHTWKJRUOF-UYAOXDASSA-N 1 0 379.891 3.806 20 30 GHEDRO C=CC[C@H](NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000779353460 1020739570 /nfs/dbraw/zinc/73/95/70/1020739570.db2.gz YQPWDXFYFTXLQP-QIJUGHKUSA-N 1 0 378.520 3.909 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000192019051 1020840936 /nfs/dbraw/zinc/84/09/36/1020840936.db2.gz IUZIVVXCEPDAEQ-HKUYNNGSSA-N 1 0 390.270 3.923 20 30 GHEDRO Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001204507516 1032938468 /nfs/dbraw/zinc/93/84/68/1032938468.db2.gz FFGKYJJFLFRTGP-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO CC(C)N1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193766979 1020949117 /nfs/dbraw/zinc/94/91/17/1020949117.db2.gz WJRZPXMTTHJCGG-MOPGFXCFSA-N 1 0 386.858 3.700 20 30 GHEDRO C[C@@H](NC(=[NH2+])NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000303910721 1021147932 /nfs/dbraw/zinc/14/79/32/1021147932.db2.gz ZDKVEVVKJBPYMQ-MNOVXSKESA-N 1 0 397.272 3.843 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2ccc(CC#N)c(C)n2)cc1 ZINC001156292862 1032962993 /nfs/dbraw/zinc/96/29/93/1032962993.db2.gz ARCQYIUIWVMTTL-OAQYLSRUSA-N 1 0 378.520 3.956 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1 ZINC000834576508 1021277077 /nfs/dbraw/zinc/27/70/77/1021277077.db2.gz YCJNBBXSPSZWHJ-LEWJYISDSA-N 1 0 398.551 3.705 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000800856555 1021344406 /nfs/dbraw/zinc/34/44/06/1021344406.db2.gz OWRCCDCSQKAHIC-QFIPXVFZSA-N 1 0 390.524 3.866 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2ccccc2-c2cnc(N)nc2)CC1 ZINC001140328060 1021412547 /nfs/dbraw/zinc/41/25/47/1021412547.db2.gz ROOKTNJNWHECDW-UHFFFAOYSA-N 1 0 387.462 3.922 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3ccccn3)cc1)CC2 ZINC001140376931 1021522223 /nfs/dbraw/zinc/52/22/23/1021522223.db2.gz OUFFNTFJYSWNAT-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO COc1cc(COC(=O)[C@@H](C(C)C)[NH+](C)C)ccc1OCc1cccc(C#N)c1 ZINC000803492419 1021603259 /nfs/dbraw/zinc/60/32/59/1021603259.db2.gz DGQVFVMEANZJJY-JOCHJYFZSA-N 1 0 396.487 3.775 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1nc(Cl)c(C#N)cc1C#N ZINC001156342097 1032994681 /nfs/dbraw/zinc/99/46/81/1032994681.db2.gz WQJMCAHEBCLZRH-KXBFYZLASA-N 1 0 379.895 3.825 20 30 GHEDRO C[N@@H+]1C[C@H]2CCCN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)[C@@H]2C1 ZINC001140439762 1021712030 /nfs/dbraw/zinc/71/20/30/1021712030.db2.gz NTMXMNWLUVBRJM-DYESRHJHSA-N 1 0 394.519 3.822 20 30 GHEDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140439992 1021712773 /nfs/dbraw/zinc/71/27/73/1021712773.db2.gz TVNAAZLZCCKHQI-INIZCTEOSA-N 1 0 397.475 3.681 20 30 GHEDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140440808 1021714275 /nfs/dbraw/zinc/71/42/75/1021714275.db2.gz DBYKWYHAJIOMTB-JOCHJYFZSA-N 1 0 397.475 3.681 20 30 GHEDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140440680 1021714480 /nfs/dbraw/zinc/71/44/80/1021714480.db2.gz FMUWGZAGXRQLIZ-IBGZPJMESA-N 1 0 394.519 3.965 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2ccc(F)c(C(=O)OC)c2)ccc1O ZINC000835011859 1021766701 /nfs/dbraw/zinc/76/67/01/1021766701.db2.gz NRDCZZHKBGCZNC-UHFFFAOYSA-N 1 0 387.455 3.996 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC)c(OCC3CC3)c1)C2 ZINC001140489434 1021812390 /nfs/dbraw/zinc/81/23/90/1021812390.db2.gz OHIJRPHDVLAIGN-NFBKMPQASA-N 1 0 387.520 3.810 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC)c(OCC3CC3)c1)C2 ZINC001140489435 1021813846 /nfs/dbraw/zinc/81/38/46/1021813846.db2.gz OHIJRPHDVLAIGN-NZQKXSOJSA-N 1 0 387.520 3.810 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1Cl ZINC001140548189 1021949800 /nfs/dbraw/zinc/94/98/00/1021949800.db2.gz AQEBMFPVDPHZNZ-UHFFFAOYSA-N 1 0 376.847 3.722 20 30 GHEDRO C=C(Br)CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000726244369 1022408736 /nfs/dbraw/zinc/40/87/36/1022408736.db2.gz FYGQGZISONEIDL-UHFFFAOYSA-N 1 0 380.330 3.770 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]12CCCN(Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140752809 1022434742 /nfs/dbraw/zinc/43/47/42/1022434742.db2.gz OOGAIBNRBQDVEQ-HXUWFJFHSA-N 1 0 377.435 3.812 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]2C1 ZINC001140755306 1022439858 /nfs/dbraw/zinc/43/98/58/1022439858.db2.gz ZPSKOGKZGWLCSF-CABCVRRESA-N 1 0 377.435 3.525 20 30 GHEDRO Fc1cccc(-c2cnc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)o2)c1 ZINC000754279068 1022578211 /nfs/dbraw/zinc/57/82/11/1022578211.db2.gz JRLUFIDHJBOWKI-UHFFFAOYSA-N 1 0 381.407 3.868 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1Cl ZINC001140812220 1022602803 /nfs/dbraw/zinc/60/28/03/1022602803.db2.gz QLJBQQWPHVBWIA-QFIPXVFZSA-N 1 0 397.881 3.975 20 30 GHEDRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4Cl)C[C@@H]3C2=O)c1 ZINC001140813342 1022610145 /nfs/dbraw/zinc/61/01/45/1022610145.db2.gz FAFJSSGYPGLEGT-PMACEKPBSA-N 1 0 379.891 3.611 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](CCO)c2cccs2)c1 ZINC000754394539 1022669538 /nfs/dbraw/zinc/66/95/38/1022669538.db2.gz IZGMIOBAYKSXNR-IEBWSBKVSA-N 1 0 385.533 3.713 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(N(CC)CC)cc1O)C2 ZINC001140852981 1022702024 /nfs/dbraw/zinc/70/20/24/1022702024.db2.gz HQAQLJTXIOUGMX-XZOQPEGZSA-N 1 0 388.552 3.812 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1c(C)nn(C)c1C ZINC000754438683 1022707015 /nfs/dbraw/zinc/70/70/15/1022707015.db2.gz UMUNSKNEQPWBOK-XLIONFOSSA-N 1 0 381.524 3.721 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754723790 1022858697 /nfs/dbraw/zinc/85/86/97/1022858697.db2.gz VTVIIUHKXDDOME-KRWDZBQOSA-N 1 0 390.524 3.866 20 30 GHEDRO C=CCc1cc(C[NH+]2CCN(c3ccc(F)cc3OC)CC2)c(O)c(OC)c1 ZINC000754726266 1022860082 /nfs/dbraw/zinc/86/00/82/1022860082.db2.gz MKOKOZHQITZYEW-UHFFFAOYSA-N 1 0 386.467 3.599 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC000754726476 1022861093 /nfs/dbraw/zinc/86/10/93/1022861093.db2.gz PLVANZUZYAHPTD-UHFFFAOYSA-N 1 0 398.478 3.663 20 30 GHEDRO N#CC1(c2ccc(NC[C@H](c3ccccc3)[NH+]3CCCC3)nc2)CCOCC1 ZINC001156529338 1033086641 /nfs/dbraw/zinc/08/66/41/1033086641.db2.gz IGAISCCSEAUMPW-OAQYLSRUSA-N 1 0 376.504 3.902 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000754742685 1022874882 /nfs/dbraw/zinc/87/48/82/1022874882.db2.gz XFKXHDRLXSAYBK-BEFAXECRSA-N 1 0 390.524 3.864 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000836375590 1022926814 /nfs/dbraw/zinc/92/68/14/1022926814.db2.gz SOMZASPNYQAQQY-IUPXNIOVSA-N 1 0 392.341 3.543 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000836383152 1022931630 /nfs/dbraw/zinc/93/16/30/1022931630.db2.gz BIBBUVASSWTAJC-UHFFFAOYSA-N 1 0 383.414 3.579 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001228795933 1033100238 /nfs/dbraw/zinc/10/02/38/1033100238.db2.gz KZDRPOVODVTAEW-PMACEKPBSA-N 1 0 391.515 3.503 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075607 1023437253 /nfs/dbraw/zinc/43/72/53/1023437253.db2.gz UKTQZBFVCRCXGK-VWLOTQADSA-N 1 0 393.575 3.919 20 30 GHEDRO C[C@H]1CN(C(=O)c2ccccc2SCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000836920273 1023469047 /nfs/dbraw/zinc/46/90/47/1023469047.db2.gz PXYPWWUXZBQLGC-GOSISDBHSA-N 1 0 379.529 3.896 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3sc(N)c(C#N)c3Cl)C2)C1 ZINC001141107152 1023515894 /nfs/dbraw/zinc/51/58/94/1023515894.db2.gz RBFGKBCULLIJCO-LLVKDONJSA-N 1 0 396.944 3.544 20 30 GHEDRO COC(=O)[C@H]1CCN(Cc2sc(N)c(C#N)c2Cl)[C@@H](c2ccccc2)C1 ZINC001141113056 1023529486 /nfs/dbraw/zinc/52/94/86/1023529486.db2.gz AXIRCVOWBAARPL-DZGCQCFKSA-N 1 0 389.908 3.982 20 30 GHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000756888772 1023848077 /nfs/dbraw/zinc/84/80/77/1023848077.db2.gz WQAZPGHTIYXQAT-HNNXBMFYSA-N 1 0 399.454 3.664 20 30 GHEDRO C#CCCCCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000837214924 1024238163 /nfs/dbraw/zinc/23/81/63/1024238163.db2.gz CDEIBECVNPFSSY-UHFFFAOYSA-N 1 0 387.955 3.647 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(N4CCCC4=O)CC3)cc2)cc1 ZINC001141295560 1024431623 /nfs/dbraw/zinc/43/16/23/1024431623.db2.gz GFCWCCQATNQOEK-UHFFFAOYSA-N 1 0 375.472 3.937 20 30 GHEDRO COC(=O)c1ccc2c(C[N@@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)c[nH]c2c1 ZINC001138269035 1024510497 /nfs/dbraw/zinc/51/04/97/1024510497.db2.gz RVXBMODPWHSAPY-FQEVSTJZSA-N 1 0 389.455 3.870 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1OC ZINC001138346343 1024708098 /nfs/dbraw/zinc/70/80/98/1024708098.db2.gz AHRSHFHSFWQZTL-NRFANRHFSA-N 1 0 376.456 3.622 20 30 GHEDRO C#CCOc1ccc(CN2CCC([N@H+](C)Cc3ccccc3F)CC2)cc1OC ZINC001138346755 1024708502 /nfs/dbraw/zinc/70/85/02/1024708502.db2.gz NIZCJHCPEONMES-UHFFFAOYSA-N 1 0 396.506 3.943 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)cc1OC ZINC001138346750 1024708804 /nfs/dbraw/zinc/70/88/04/1024708804.db2.gz NDOMNVUOYXIOGJ-HXUWFJFHSA-N 1 0 385.504 3.653 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)cc1OC ZINC001138347073 1024709151 /nfs/dbraw/zinc/70/91/51/1024709151.db2.gz SJPSRYKHJLVPEA-XMMPIXPASA-N 1 0 391.467 3.549 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(N(CC)CC)cc3OC)C2)C1=O ZINC001138388143 1024763447 /nfs/dbraw/zinc/76/34/47/1024763447.db2.gz TURAFZDICQZFJT-QHCPKHFHSA-N 1 0 385.552 3.542 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000831830651 1024913775 /nfs/dbraw/zinc/91/37/75/1024913775.db2.gz ZTSDHVTYQYLLNS-RTWAWAEBSA-N 1 0 393.487 3.509 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C2 ZINC001138554114 1025010556 /nfs/dbraw/zinc/01/05/56/1025010556.db2.gz ZMLPLYYACPEPTA-FPOVZHCZSA-N 1 0 397.462 3.870 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)CC2 ZINC001138554636 1025011051 /nfs/dbraw/zinc/01/10/51/1025011051.db2.gz TXKXNVJEDCXLBW-OAQYLSRUSA-N 1 0 394.462 3.830 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC001141427563 1025014533 /nfs/dbraw/zinc/01/45/33/1025014533.db2.gz VTCNXTSUSZWUJJ-NRFANRHFSA-N 1 0 383.536 3.732 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)cc1 ZINC001138557247 1025018547 /nfs/dbraw/zinc/01/85/47/1025018547.db2.gz CRSCXUUBQCXQQD-UHFFFAOYSA-N 1 0 389.421 3.825 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnn(-c3ccccc3)c1)[C@@H]2CC ZINC001138600589 1025084507 /nfs/dbraw/zinc/08/45/07/1025084507.db2.gz YAKNQNNFOWDXLZ-GGAORHGYSA-N 1 0 378.520 3.794 20 30 GHEDRO C#C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccc(Br)cc1 ZINC001141461479 1025121500 /nfs/dbraw/zinc/12/15/00/1025121500.db2.gz WMVMJFSZVZBHPC-QGZVFWFLSA-N 1 0 387.277 3.742 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)c1O ZINC001138627830 1025128998 /nfs/dbraw/zinc/12/89/98/1025128998.db2.gz GGWMKLCWKUUVJW-UHFFFAOYSA-N 1 0 377.488 3.611 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000838485597 1025166915 /nfs/dbraw/zinc/16/69/15/1025166915.db2.gz CYGWGKNFXIGJMZ-MRXNPFEDSA-N 1 0 382.533 3.818 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001138664327 1025187535 /nfs/dbraw/zinc/18/75/35/1025187535.db2.gz NJPLXMQWMYWBMI-ZJSXRUAMSA-N 1 0 391.515 3.565 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138743071 1025283199 /nfs/dbraw/zinc/28/31/99/1025283199.db2.gz MHEXNEZNYGMOLR-OAQYLSRUSA-N 1 0 392.927 3.890 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cnn(Cc4ccccc4)c3)C2)C1 ZINC001138763463 1025323559 /nfs/dbraw/zinc/32/35/59/1025323559.db2.gz PAJFSMZWGKOOJT-QHCPKHFHSA-N 1 0 394.519 3.542 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC001141544306 1025451116 /nfs/dbraw/zinc/45/11/16/1025451116.db2.gz MLTYNPQXYXVZIX-QFIPXVFZSA-N 1 0 375.516 3.802 20 30 GHEDRO N#Cc1cc2c(nc1NCC1(Cc3ccc(Cl)cc3)CC[NH2+]CC1)CCOC2 ZINC001161991902 1025525974 /nfs/dbraw/zinc/52/59/74/1025525974.db2.gz FAMAPEIIMPMHTL-UHFFFAOYSA-N 1 0 396.922 3.704 20 30 GHEDRO Cn1c2ccccc2c2cc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)ccc21 ZINC001138918886 1025583815 /nfs/dbraw/zinc/58/38/15/1025583815.db2.gz REZYDMSOWFRTSN-UHFFFAOYSA-N 1 0 381.483 3.920 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000839094702 1025592363 /nfs/dbraw/zinc/59/23/63/1025592363.db2.gz AKAIRRPVBTWHJV-QZTJIDSGSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnc3[nH]ccc3c1Cl)C2 ZINC001138929786 1025597481 /nfs/dbraw/zinc/59/74/81/1025597481.db2.gz BCIHUPPZPQXDJT-PXNSSMCTSA-N 1 0 375.900 3.742 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001162356062 1025723613 /nfs/dbraw/zinc/72/36/13/1025723613.db2.gz OKLSVWFLSUJJJD-UHFFFAOYSA-N 1 0 399.336 3.861 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162461308 1025754442 /nfs/dbraw/zinc/75/44/42/1025754442.db2.gz OLJSXQWHVKKSNF-MJGOQNOKSA-N 1 0 375.520 3.564 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1C[C@H]2CN(Cc3cccc(C)c3)C(=O)[C@H]2C1 ZINC001139033029 1025805468 /nfs/dbraw/zinc/80/54/68/1025805468.db2.gz YZNXCKDNJJWTFQ-VXKWHMMOSA-N 1 0 376.500 3.650 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3OC)C2)C1=O ZINC001141607151 1025866044 /nfs/dbraw/zinc/86/60/44/1025866044.db2.gz FBJYWTJKRVDQHX-LJQANCHMSA-N 1 0 382.426 3.715 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC001139116677 1025926311 /nfs/dbraw/zinc/92/63/11/1025926311.db2.gz JIBBMBIUEWFEAC-UHFFFAOYSA-N 1 0 378.900 3.500 20 30 GHEDRO N#Cc1c2c(cnc1N1C[C@@H]([NH3+])Cc3ccccc31)CCN2Cc1ccccc1 ZINC001162845059 1025937348 /nfs/dbraw/zinc/93/73/48/1025937348.db2.gz RASAHYMDMLKMGF-FQEVSTJZSA-N 1 0 381.483 3.537 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1 ZINC000839541328 1026031453 /nfs/dbraw/zinc/03/14/53/1026031453.db2.gz CXCZXZQFDIACLY-INIZCTEOSA-N 1 0 383.517 3.571 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001163209745 1026088765 /nfs/dbraw/zinc/08/87/65/1026088765.db2.gz WKWQAFPMDUJWSD-HQRMLTQVSA-N 1 0 378.476 3.546 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000839637103 1026142622 /nfs/dbraw/zinc/14/26/22/1026142622.db2.gz DBDYODRKMLKXHG-RTWAWAEBSA-N 1 0 399.535 3.843 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH+]3CCC(C#Cc4ccccc4)CC3)cn2)C[C@@H](C)O1 ZINC001139387236 1026253387 /nfs/dbraw/zinc/25/33/87/1026253387.db2.gz APAYXINMAFICAO-NHCUHLMSSA-N 1 0 389.543 3.959 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3C[C@@H]4CN(Cc5cccnc5)C[C@H]4C3)cc2)c1 ZINC001139402437 1026273474 /nfs/dbraw/zinc/27/34/74/1026273474.db2.gz RLJLZBJEZBLKTA-DNQXCXABSA-N 1 0 395.510 3.579 20 30 GHEDRO C#CCC(CC#C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000839797838 1026278349 /nfs/dbraw/zinc/27/83/49/1026278349.db2.gz JZHJLGVYMMIPHA-BJKOFHAPSA-N 1 0 388.486 3.573 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139406626 1026280804 /nfs/dbraw/zinc/28/08/04/1026280804.db2.gz XKTOZNUMRRQBTH-PZJWPPBQSA-N 1 0 390.487 3.671 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)cn2)cc1 ZINC001139425456 1026296048 /nfs/dbraw/zinc/29/60/48/1026296048.db2.gz PETDVJOKWFYYKI-UHFFFAOYSA-N 1 0 390.487 3.580 20 30 GHEDRO CCN1CCC2(CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)C1=O ZINC001139428424 1026299919 /nfs/dbraw/zinc/29/99/19/1026299919.db2.gz JMTTVJUVUAPYSY-UHFFFAOYSA-N 1 0 390.487 3.580 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(I)c1 ZINC001139511424 1026363921 /nfs/dbraw/zinc/36/39/21/1026363921.db2.gz IFGMWSJXBJDGCC-UHFFFAOYSA-N 1 0 380.204 3.934 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1F ZINC001139528438 1026386545 /nfs/dbraw/zinc/38/65/45/1026386545.db2.gz SJBWSWWOSQBZBC-RBBKRZOGSA-N 1 0 381.451 3.542 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)cc1F ZINC001139528825 1026388429 /nfs/dbraw/zinc/38/84/29/1026388429.db2.gz ZBHXXNWXEWKDLP-XMMPIXPASA-N 1 0 391.490 3.755 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(Cl)ccn3)C[C@@H]2c2ccccc2)C1=O ZINC001139561488 1026431166 /nfs/dbraw/zinc/43/11/66/1026431166.db2.gz YZGSSQSNRFMAOQ-IRLDBZIGSA-N 1 0 381.907 3.739 20 30 GHEDRO C[C@]1(C[NH3+])CCCN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)CC1 ZINC001164249705 1026463855 /nfs/dbraw/zinc/46/38/55/1026463855.db2.gz FYVCJLPKSFZABW-ZDUSSCGKSA-N 1 0 397.779 3.521 20 30 GHEDRO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cc(C#N)ccc1F)CC2 ZINC001139647481 1026508585 /nfs/dbraw/zinc/50/85/85/1026508585.db2.gz IXNMQBDVBWCGRM-LJQANCHMSA-N 1 0 383.467 3.546 20 30 GHEDRO N#Cc1c[nH]c2nc(Cl)nc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)c12 ZINC001164485249 1026525930 /nfs/dbraw/zinc/52/59/30/1026525930.db2.gz HVESGNANSLEFED-DJIMGWMZSA-N 1 0 392.894 3.805 20 30 GHEDRO COC(=O)c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1CC#N ZINC001164499492 1026536391 /nfs/dbraw/zinc/53/63/91/1026536391.db2.gz RIHQVYOCWRVZLW-AJSBUHFISA-N 1 0 389.499 3.862 20 30 GHEDRO C[NH+](C)CC[C@H](c1ccc(NC(=NC#N)c2ccncc2)cc1)c1ccccn1 ZINC001164513788 1026539690 /nfs/dbraw/zinc/53/96/90/1026539690.db2.gz GLEBWKPPQDEHSD-OAQYLSRUSA-N 1 0 384.487 3.709 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CC3)NC(=O)C[C@H]4c3ccccc3)c[nH]c21 ZINC001139701481 1026547708 /nfs/dbraw/zinc/54/77/08/1026547708.db2.gz NABSFHZKZXPZGF-NRFANRHFSA-N 1 0 384.483 3.678 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)cc1C#N ZINC001139725525 1026569885 /nfs/dbraw/zinc/56/98/85/1026569885.db2.gz SHUBOQGHJAUOBF-SIKLNZKXSA-N 1 0 381.451 3.603 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165089230 1026598793 /nfs/dbraw/zinc/59/87/93/1026598793.db2.gz UDWZUXGYZNDCRJ-MAUKXSAKSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001165107749 1026611200 /nfs/dbraw/zinc/61/12/00/1026611200.db2.gz TYQBONLWSHCEHT-ZDUSSCGKSA-N 1 0 375.250 3.773 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]([NH3+])C(F)(F)C3)cnc2Cl)c1 ZINC001165130447 1026623671 /nfs/dbraw/zinc/62/36/71/1026623671.db2.gz PHEIJPDOXOAJHU-OAHLLOKOSA-N 1 0 398.791 3.991 20 30 GHEDRO C[NH+]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@@H]2C1 ZINC001165147723 1026634257 /nfs/dbraw/zinc/63/42/57/1026634257.db2.gz GDYLZXQZZSDAIR-HOTGVXAUSA-N 1 0 388.849 3.816 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CCSc1ccccc1Br ZINC001139865812 1026678785 /nfs/dbraw/zinc/67/87/85/1026678785.db2.gz RJIUUYBXOFASIC-UHFFFAOYSA-N 1 0 385.371 3.898 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC001139876672 1026691656 /nfs/dbraw/zinc/69/16/56/1026691656.db2.gz ISABYBUMIUYNTI-XZOQPEGZSA-N 1 0 395.478 3.680 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001139877471 1026693509 /nfs/dbraw/zinc/69/35/09/1026693509.db2.gz KUWSMAPDTFWCCP-WIYYLYMNSA-N 1 0 391.462 3.868 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]2CF)CC1 ZINC001139877447 1026693882 /nfs/dbraw/zinc/69/38/82/1026693882.db2.gz KHNBKDWDAKCKAL-FUHWJXTLSA-N 1 0 391.462 3.772 20 30 GHEDRO Cc1ccc(CC#N)c(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165478818 1026741200 /nfs/dbraw/zinc/74/12/00/1026741200.db2.gz IXSJBPNQKOOETO-RBBKRZOGSA-N 1 0 380.467 3.644 20 30 GHEDRO C=CCOc1cc(C)nc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165479322 1026742017 /nfs/dbraw/zinc/74/20/17/1026742017.db2.gz WNORUYCBMNLSBF-KNQAVFIVSA-N 1 0 398.482 3.538 20 30 GHEDRO N#Cc1cnc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001165480807 1026742305 /nfs/dbraw/zinc/74/23/05/1026742305.db2.gz PPROEHNEDVDDNZ-XLIONFOSSA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCC(=O)N4Cc4ccncc4)C3)c2c1 ZINC001140112502 1026893318 /nfs/dbraw/zinc/89/33/18/1026893318.db2.gz NFXAWAMNOGSHIS-XMMPIXPASA-N 1 0 399.498 3.592 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H]2C1 ZINC001140115151 1026897480 /nfs/dbraw/zinc/89/74/80/1026897480.db2.gz OJZDXAATRKCONH-AEFFLSMTSA-N 1 0 380.492 3.728 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2CF)CC1 ZINC001140136690 1026910645 /nfs/dbraw/zinc/91/06/45/1026910645.db2.gz KIBDGGNDTMTBJY-SJORKVTESA-N 1 0 391.462 3.772 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140139883 1026914044 /nfs/dbraw/zinc/91/40/44/1026914044.db2.gz OSBUJCVSPDRSTN-GOSISDBHSA-N 1 0 391.487 3.545 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N(CC#N)c2ccc(Cl)cc2)cc1 ZINC001461169977 1069424397 /nfs/dbraw/zinc/42/43/97/1069424397.db2.gz DXTJJYUNVQDISS-LFYBBSHMSA-N 1 0 383.879 3.850 20 30 GHEDRO CCCc1cc(C#N)c(N2c3ccccc3C(=O)NC23CC[NH2+]CC3)nc1Cl ZINC001166809261 1027089627 /nfs/dbraw/zinc/08/96/27/1027089627.db2.gz COZPYICHSMKSSV-UHFFFAOYSA-N 1 0 395.894 3.520 20 30 GHEDRO COC(=O)Cc1cc(Cl)nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C#N ZINC001166865303 1027119664 /nfs/dbraw/zinc/11/96/64/1027119664.db2.gz OXMBECSKYJHANJ-SFHVURJKSA-N 1 0 398.894 3.571 20 30 GHEDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2nc3ccccc3c(Cl)c2C#N)C1 ZINC001166875840 1027126424 /nfs/dbraw/zinc/12/64/24/1027126424.db2.gz HGNQQOFLXFYICG-LBPRGKRZSA-N 1 0 397.935 3.948 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c[nH]nc4-c4ccccc4)C3)CC2=O)c1 ZINC001209765135 1027164182 /nfs/dbraw/zinc/16/41/82/1027164182.db2.gz XWHWVDZHYVSPOZ-XMMPIXPASA-N 1 0 397.482 3.577 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC001203314595 1027269654 /nfs/dbraw/zinc/26/96/54/1027269654.db2.gz SITFGSVTIYLRNL-UHFFFAOYSA-N 1 0 375.451 3.642 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001141809694 1027341017 /nfs/dbraw/zinc/34/10/17/1027341017.db2.gz ALTZEQBRVCASPU-VQTJNVASSA-N 1 0 397.320 3.565 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(OCCn3ccnc3)c(Cl)c1)C2 ZINC001203446760 1027344823 /nfs/dbraw/zinc/34/48/23/1027344823.db2.gz IRWMTTXTJNXKMS-HXUWFJFHSA-N 1 0 392.890 3.744 20 30 GHEDRO Cn1c(CCC[NH2+]Cc2cc(C#N)ccc2Br)nc2ccccc21 ZINC001461229107 1069453012 /nfs/dbraw/zinc/45/30/12/1069453012.db2.gz DTYOELVVEBUDTJ-UHFFFAOYSA-N 1 0 383.293 3.930 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc(OC)c1O ZINC001461233285 1069454576 /nfs/dbraw/zinc/45/45/76/1069454576.db2.gz MHHDQJAIYBPNGO-JPYJTQIMSA-N 1 0 396.531 3.508 20 30 GHEDRO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001203758084 1027581393 /nfs/dbraw/zinc/58/13/93/1027581393.db2.gz RKXIDZYSHREPOM-VWLOTQADSA-N 1 0 396.494 3.998 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccc(C#N)c3)O2)cs1 ZINC001203762545 1027583205 /nfs/dbraw/zinc/58/32/05/1027583205.db2.gz ROMMCEWFBXCRIY-PWRODBHTSA-N 1 0 383.517 3.662 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)c1 ZINC001203760825 1027584166 /nfs/dbraw/zinc/58/41/66/1027584166.db2.gz PHGXLOMHDDUEQS-IFMALSPDSA-N 1 0 381.451 3.542 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccc(F)c4)C3)C2)c1 ZINC001203785490 1027602052 /nfs/dbraw/zinc/60/20/52/1027602052.db2.gz CHHVWNKEUJPOGO-QHCPKHFHSA-N 1 0 379.479 3.816 20 30 GHEDRO CSc1nc(C[NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141931565 1027689893 /nfs/dbraw/zinc/68/98/93/1027689893.db2.gz DVEILWRGNWBLQE-UHFFFAOYSA-N 1 0 390.553 3.802 20 30 GHEDRO CSc1nc(C[N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141931735 1027691106 /nfs/dbraw/zinc/69/11/06/1027691106.db2.gz KMCMYSAIGRUWOV-UHFFFAOYSA-N 1 0 390.553 3.754 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001203900230 1027693298 /nfs/dbraw/zinc/69/32/98/1027693298.db2.gz VOWPUCBZTVNQNS-UHFFFAOYSA-N 1 0 399.535 3.939 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)cc1 ZINC001203901155 1027694326 /nfs/dbraw/zinc/69/43/26/1027694326.db2.gz HEPOEJPLPMCQLX-HSZRJFAPSA-N 1 0 379.479 3.816 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccc(F)cc4)C3)C2)c1 ZINC001203916851 1027707046 /nfs/dbraw/zinc/70/70/46/1027707046.db2.gz WUHBXHKHESLAII-QHCPKHFHSA-N 1 0 379.479 3.816 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)c(SC)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141945675 1027726280 /nfs/dbraw/zinc/72/62/80/1027726280.db2.gz IUANYIMPMYCRNX-KRWDZBQOSA-N 1 0 390.553 3.897 20 30 GHEDRO C[NH2+]Cc1ccc(Nc2c(C#N)cnn2-c2ccccc2Br)cc1 ZINC001211129588 1027801405 /nfs/dbraw/zinc/80/14/05/1027801405.db2.gz FEWURAKQYVDHRN-UHFFFAOYSA-N 1 0 382.265 3.969 20 30 GHEDRO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000840962455 1027995480 /nfs/dbraw/zinc/99/54/80/1027995480.db2.gz COXDQZBJCKXWST-ZFJSRUIDSA-N 1 0 393.531 3.604 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000840972277 1028008606 /nfs/dbraw/zinc/00/86/06/1028008606.db2.gz JFXOOHIQQKPECS-AVRDEDQJSA-N 1 0 380.488 3.597 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccccc1-c1ccc(C#N)cn1 ZINC001213904505 1028442898 /nfs/dbraw/zinc/44/28/98/1028442898.db2.gz YMICCJJUQUKUEC-UHFFFAOYSA-N 1 0 385.471 3.782 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC001142311006 1028663221 /nfs/dbraw/zinc/66/32/21/1028663221.db2.gz KIZXRFIDXPVFFD-UHFFFAOYSA-N 1 0 388.512 3.874 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142348387 1028729439 /nfs/dbraw/zinc/72/94/39/1028729439.db2.gz UEXMXSYKEISRDP-SFHVURJKSA-N 1 0 379.504 3.736 20 30 GHEDRO Cc1noc(-c2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cc2)n1 ZINC001461426748 1069544570 /nfs/dbraw/zinc/54/45/70/1069544570.db2.gz PJOFESNIJDXHCQ-UHFFFAOYSA-N 1 0 384.443 3.607 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001214911580 1028962682 /nfs/dbraw/zinc/96/26/82/1028962682.db2.gz AUADCVVOVXERCQ-IBGZPJMESA-N 1 0 378.476 3.741 20 30 GHEDRO C=CCSc1ncccc1-c1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001214967975 1028980432 /nfs/dbraw/zinc/98/04/32/1028980432.db2.gz DONXOJDHWHBBMB-UHFFFAOYSA-N 1 0 393.516 3.829 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001142638671 1029196175 /nfs/dbraw/zinc/19/61/75/1029196175.db2.gz FCSQQPJMWZNBHT-OAQYLSRUSA-N 1 0 393.556 3.989 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc4[nH]cnc43)C[C@@H]2c2ccccc2)C1=O ZINC001142679761 1029253243 /nfs/dbraw/zinc/25/32/43/1029253243.db2.gz KYKKKILLBIUIBE-YKSBVNFPSA-N 1 0 386.499 3.567 20 30 GHEDRO N#Cc1c[nH]c2cc(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)ccc12 ZINC001142681751 1029259826 /nfs/dbraw/zinc/25/98/26/1029259826.db2.gz ZYMCSERMZQAOGD-UHFFFAOYSA-N 1 0 378.501 3.743 20 30 GHEDRO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](NC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC001142719844 1029327625 /nfs/dbraw/zinc/32/76/25/1029327625.db2.gz SGFIOSPTIQWRGS-BAHGIXHPSA-N 1 0 379.504 3.707 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4c[nH]c5cc(C#N)ccc45)C3)CC2=O)cc1 ZINC001142929157 1029710326 /nfs/dbraw/zinc/71/03/26/1029710326.db2.gz YPOYBAOTRPXBAM-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)C1=O ZINC001142929069 1029710735 /nfs/dbraw/zinc/71/07/35/1029710735.db2.gz URDWXVUVACNUDF-JOCHJYFZSA-N 1 0 398.510 3.878 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1occc1Br)[C@H]2CC ZINC001143119721 1029855612 /nfs/dbraw/zinc/85/56/12/1029855612.db2.gz TUMQGTZZNJGDBE-WMZOPIPTSA-N 1 0 381.314 3.964 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3ccc(C(=O)OC)cc13)C2 ZINC001143232803 1029931399 /nfs/dbraw/zinc/93/13/99/1029931399.db2.gz LQCKOKYOYFQKAB-GGAORHGYSA-N 1 0 398.503 3.528 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001461597319 1069631370 /nfs/dbraw/zinc/63/13/70/1069631370.db2.gz JDJWVJAODZKLKX-QHCPKHFHSA-N 1 0 375.516 3.860 20 30 GHEDRO C[C@@H](C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000843417130 1029990031 /nfs/dbraw/zinc/99/00/31/1029990031.db2.gz PSSSVIRPMIAVGZ-IRXDYDNUSA-N 1 0 386.540 3.808 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CCC34C[NH2+]C4)c2)cc1 ZINC001222309224 1030062951 /nfs/dbraw/zinc/06/29/51/1030062951.db2.gz OJUSNYDAQNAHRJ-UHFFFAOYSA-N 1 0 384.277 3.661 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+]1CCC(C)CC1 ZINC001217008638 1030080122 /nfs/dbraw/zinc/08/01/22/1030080122.db2.gz XYZKMCRDUDSUSD-ZDUSSCGKSA-N 1 0 384.402 3.699 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(-c2nc(-c3cccc(C#N)c3)no2)cc1 ZINC001217116459 1030177573 /nfs/dbraw/zinc/17/75/73/1030177573.db2.gz MYJFXQJWBZNMOQ-UHFFFAOYSA-N 1 0 375.476 3.659 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc(-c4noc5c4C[NH2+]CC5)n3)cc2)cc1 ZINC001217213558 1030239635 /nfs/dbraw/zinc/23/96/35/1030239635.db2.gz WGXNXOUEYRNBQT-UHFFFAOYSA-N 1 0 385.383 3.701 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2CCC[NH2+]C[C@H]2F)c(Br)c1 ZINC001217944619 1030678945 /nfs/dbraw/zinc/67/89/45/1030678945.db2.gz IZFQPHNLTOTBBC-NEPJUHHUSA-N 1 0 392.066 3.552 20 30 GHEDRO COc1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001217951826 1030684278 /nfs/dbraw/zinc/68/42/78/1030684278.db2.gz UYKGYXDDQNMJMX-FICJGFBESA-N 1 0 385.435 3.766 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218015732 1030724571 /nfs/dbraw/zinc/72/45/71/1030724571.db2.gz BDDOSURKOZHPLM-WFJXNHGMSA-N 1 0 397.494 3.789 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@H]3CC[NH2+]C[C@@H]3F)cc2)C=C1 ZINC001218067802 1030753409 /nfs/dbraw/zinc/75/34/09/1030753409.db2.gz UIUBVLXUYWZWCA-GOTSBHOMSA-N 1 0 391.442 3.968 20 30 GHEDRO O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089353 1030766110 /nfs/dbraw/zinc/76/61/10/1030766110.db2.gz FEDPIQWFMBJCEN-KHVZZVGOSA-N 1 0 395.455 3.611 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc4c(cccc4Br)[nH]3)C2)C1=O ZINC001276922734 1030766729 /nfs/dbraw/zinc/76/67/29/1030766729.db2.gz OGGDYZSQYRBKSX-IBGZPJMESA-N 1 0 388.309 3.541 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1C#N ZINC001461705653 1069690448 /nfs/dbraw/zinc/69/04/48/1069690448.db2.gz AKFXNLDAYKJCGU-CQSZACIVSA-N 1 0 387.402 3.502 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]21 ZINC001218115398 1030780564 /nfs/dbraw/zinc/78/05/64/1030780564.db2.gz BZOMCQVVUGOOEL-VCOUNFBDSA-N 1 0 384.520 3.939 20 30 GHEDRO COc1cc(O[C@H]2CC[C@]23CC[NH2+]C3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218122674 1030783957 /nfs/dbraw/zinc/78/39/57/1030783957.db2.gz HRSZBZVLHJHQCR-RZSBMPEHSA-N 1 0 379.456 3.818 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218122831 1030785180 /nfs/dbraw/zinc/78/51/80/1030785180.db2.gz JKQGIECZHCBYHA-XUZZJYLKSA-N 1 0 391.467 3.920 20 30 GHEDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C#CC(C)(C)C)cc1 ZINC001151160232 1030787891 /nfs/dbraw/zinc/78/78/91/1030787891.db2.gz JFWVIHCYNUFCHH-XZOQPEGZSA-N 1 0 390.527 3.829 20 30 GHEDRO COc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218186790 1030813355 /nfs/dbraw/zinc/81/33/55/1030813355.db2.gz VLMQSFXPGUUKRS-GEUWLKPPSA-N 1 0 379.456 3.959 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC001218199160 1030822369 /nfs/dbraw/zinc/82/23/69/1030822369.db2.gz ARSDCDHHIZACQZ-UFBFGSQYSA-N 1 0 375.272 3.763 20 30 GHEDRO CC(C)=CCC/C(C)=C/Cc1cc(O[C@@H]2C[NH2+]C[C@H]2C#N)cc2c1OC(=O)C2 ZINC001218204410 1030827240 /nfs/dbraw/zinc/82/72/40/1030827240.db2.gz VYFOPBMCPOEIIJ-VHCPFUFCSA-N 1 0 380.488 3.874 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(I)cccc1C(F)(F)F ZINC001218206372 1030829798 /nfs/dbraw/zinc/82/97/98/1030829798.db2.gz BBGFHNSGHKEQTJ-NSHDSACASA-N 1 0 383.151 3.607 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CCC2(C[NH2+]C2)C1 ZINC001218241234 1030847089 /nfs/dbraw/zinc/84/70/89/1030847089.db2.gz QKPZGJVXKZALCU-SFHVURJKSA-N 1 0 387.483 3.635 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CCC23C[NH2+]C3)c1 ZINC001218245231 1030849086 /nfs/dbraw/zinc/84/90/86/1030849086.db2.gz XZQWWDWEKLSJDS-SHBDEGQCSA-N 1 0 379.456 3.731 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c1C(=O)/C=C/c1ccccc1 ZINC001218251236 1030853526 /nfs/dbraw/zinc/85/35/26/1030853526.db2.gz RLFXLPKZOCMBDJ-XHCLTZFXSA-N 1 0 379.456 3.816 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)cc2)C=C1 ZINC001218327433 1030895736 /nfs/dbraw/zinc/89/57/36/1030895736.db2.gz SSFFQBLGIVBFRU-CTUHWIOQSA-N 1 0 385.463 3.876 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c(O)c1 ZINC001218326749 1030896123 /nfs/dbraw/zinc/89/61/23/1030896123.db2.gz PSCINJCETBLZCQ-JTDSTZFVSA-N 1 0 377.481 3.602 20 30 GHEDRO C[C@@H]1CC[C@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)C[NH2+]1 ZINC001218401799 1030921005 /nfs/dbraw/zinc/92/10/05/1030921005.db2.gz ICRQYHBJCPNBMG-CUQORNDSSA-N 1 0 379.504 3.840 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC001218413781 1030929434 /nfs/dbraw/zinc/92/94/34/1030929434.db2.gz IZLWDYKVZOFEFI-VDKMYKTASA-N 1 0 397.471 3.682 20 30 GHEDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001218416364 1030930609 /nfs/dbraw/zinc/93/06/09/1030930609.db2.gz SGHTUDNSKTTYDI-NKLIEUKZSA-N 1 0 379.504 3.697 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[NH2+]C[C@H]2C)c1OC ZINC001218420662 1030931833 /nfs/dbraw/zinc/93/18/33/1030931833.db2.gz DMAKCMSYCSVCIN-PMYSDTAASA-N 1 0 397.471 3.682 20 30 GHEDRO Cc1cc(O[C@H]2CC[NH2+]C[C@H]2C)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218421422 1030932875 /nfs/dbraw/zinc/93/28/75/1030932875.db2.gz WEIMSBFKLXYHOZ-LUYYVEIPSA-N 1 0 381.472 3.988 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218446318 1030940125 /nfs/dbraw/zinc/94/01/25/1030940125.db2.gz GGYCPFQFFFFTDD-JDTKXYMMSA-N 1 0 379.456 3.729 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(OC)ccc2c1C(=O)c1ccccc1C2=O ZINC001218454820 1030943444 /nfs/dbraw/zinc/94/34/44/1030943444.db2.gz DPVXSKAFZLQWPM-QZTJIDSGSA-N 1 0 377.440 3.546 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218464545 1030948085 /nfs/dbraw/zinc/94/80/85/1030948085.db2.gz LRUOEUZIZBVFES-RRFNCINBSA-N 1 0 393.483 3.977 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001218541198 1030979312 /nfs/dbraw/zinc/97/93/12/1030979312.db2.gz IEJUJDKHQQKHLL-AEFFLSMTSA-N 1 0 398.507 3.581 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2cncc(-c3ccccc3)c2)C1 ZINC001218671319 1031028365 /nfs/dbraw/zinc/02/83/65/1031028365.db2.gz RIZRSNRIOMHESY-HXOBKFHXSA-N 1 0 382.467 3.780 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=O)[C@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)cc1 ZINC001218808659 1031087500 /nfs/dbraw/zinc/08/75/00/1031087500.db2.gz IJBRHTSDPSKPPA-JTSKRJEESA-N 1 0 376.504 3.657 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)C1 ZINC001218840212 1031106801 /nfs/dbraw/zinc/10/68/01/1031106801.db2.gz RYSFSPBDQLTNLY-ZDUSSCGKSA-N 1 0 379.176 3.594 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001218860222 1031121102 /nfs/dbraw/zinc/12/11/02/1031121102.db2.gz NLAWASPIMYZZDR-SFHVURJKSA-N 1 0 391.471 3.888 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)cc1C#N ZINC001218914951 1031150797 /nfs/dbraw/zinc/15/07/97/1031150797.db2.gz IBHHJOOCEWZNGO-MRXNPFEDSA-N 1 0 391.258 3.852 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC001219084434 1031249436 /nfs/dbraw/zinc/24/94/36/1031249436.db2.gz LQAFPOTVRNZTEY-UHFFFAOYSA-N 1 0 396.329 3.964 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC001219166713 1031284236 /nfs/dbraw/zinc/28/42/36/1031284236.db2.gz SHFPQWYTELSWHF-FUHWJXTLSA-N 1 0 375.513 3.892 20 30 GHEDRO O=C(C[C@H]1CC[NH2+]C[C@H]1F)Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC001219273986 1031335433 /nfs/dbraw/zinc/33/54/33/1031335433.db2.gz RIMLPAXYSOHFRB-LDYMZIIASA-N 1 0 388.283 3.880 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219645116 1031537062 /nfs/dbraw/zinc/53/70/62/1031537062.db2.gz IQKDITIUAUBOGG-WOJBJXKFSA-N 1 0 381.605 3.728 20 30 GHEDRO C#CCN(C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC001225893364 1031679503 /nfs/dbraw/zinc/67/95/03/1031679503.db2.gz YRKFTWKEHPDAKL-CQSZACIVSA-N 1 0 382.335 3.836 20 30 GHEDRO C[C@]12CC3CC(NC(=O)[C@H]4C[NH2+]C[C@@H]4c4ccccc4C#N)(C1)C[C@@](C)(C3)C2 ZINC001219994618 1031736001 /nfs/dbraw/zinc/73/60/01/1031736001.db2.gz XTCHWCGIQBJBKI-RGLWYPKESA-N 1 0 377.532 3.726 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)cc2)CC1 ZINC001220098334 1031784012 /nfs/dbraw/zinc/78/40/12/1031784012.db2.gz QICPWELAOYYJOX-KRWDZBQOSA-N 1 0 382.430 3.562 20 30 GHEDRO C[NH2+][C@H](Cc1ccccc1)C(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001220180067 1031820602 /nfs/dbraw/zinc/82/06/02/1031820602.db2.gz ZTXZIYKIJGKNHU-OAQYLSRUSA-N 1 0 382.463 3.698 20 30 GHEDRO CC1(C)CC(=O)C=C(NC(=O)C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001220413252 1031931366 /nfs/dbraw/zinc/93/13/66/1031931366.db2.gz CJUSVMMKRYYCKE-UHFFFAOYSA-N 1 0 394.437 3.716 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)C1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001220663522 1032050593 /nfs/dbraw/zinc/05/05/93/1032050593.db2.gz HBXAAQCNPMNDGW-SFHVURJKSA-N 1 0 394.515 3.759 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001220664038 1032051266 /nfs/dbraw/zinc/05/12/66/1032051266.db2.gz UTQRKKXCYPWCRZ-VGOFRKELSA-N 1 0 392.499 3.511 20 30 GHEDRO CN(C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl)[C@@]1(C)CCC[NH2+]C1 ZINC001156976168 1033351121 /nfs/dbraw/zinc/35/11/21/1033351121.db2.gz CJUQLLJHEQKFDD-SFHVURJKSA-N 1 0 391.853 3.792 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@]1(C)Cc1cccc2ccccc21 ZINC001229292493 1033396382 /nfs/dbraw/zinc/39/63/82/1033396382.db2.gz UKQIHSFLLZJMOB-XMMPIXPASA-N 1 0 377.532 3.902 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205459122 1033422725 /nfs/dbraw/zinc/42/27/25/1033422725.db2.gz CCQKUDIHFJDMRR-WIYYLYMNSA-N 1 0 391.462 3.868 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001205467795 1033425476 /nfs/dbraw/zinc/42/54/76/1033425476.db2.gz WXNYFNJWQYUJJZ-QPPBQGQZSA-N 1 0 389.474 3.701 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)ccc1F ZINC001205472827 1033429032 /nfs/dbraw/zinc/42/90/32/1033429032.db2.gz JJFDNCKVYPASNY-PKTZIBPZSA-N 1 0 395.478 3.680 20 30 GHEDRO CC[NH+]1CCC(Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001229586198 1033573681 /nfs/dbraw/zinc/57/36/81/1033573681.db2.gz DPNWTRDZFWPASB-XVNBXDOJSA-N 1 0 383.444 3.563 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001229589230 1033578761 /nfs/dbraw/zinc/57/87/61/1033578761.db2.gz PPUVTSUFTYHPJI-DYESRHJHSA-N 1 0 376.504 3.756 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc(Cl)n1 ZINC001157435921 1033587224 /nfs/dbraw/zinc/58/72/24/1033587224.db2.gz SVDVCTQYWWLCII-KRWDZBQOSA-N 1 0 376.838 3.910 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)cc1 ZINC001205932537 1033640766 /nfs/dbraw/zinc/64/07/66/1033640766.db2.gz LIWLXCPKQHLCEP-XMMPIXPASA-N 1 0 393.531 3.969 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(OC3COC3)c(C(F)(F)F)c2)no1 ZINC001206100424 1033719615 /nfs/dbraw/zinc/71/96/15/1033719615.db2.gz OVJUHBSRUDINID-UHFFFAOYSA-N 1 0 395.381 3.642 20 30 GHEDRO N#Cc1ccc(-c2noc(C3(c4cccc(C(F)(F)F)c4)CC[NH2+]CC3)n2)nc1 ZINC001206341667 1033803893 /nfs/dbraw/zinc/80/38/93/1033803893.db2.gz WLVXXNHHEBAENJ-UHFFFAOYSA-N 1 0 399.376 3.692 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)n3cc4c(n3)CC[C@@H]([NH3+])C4)cnc2Cl)c1 ZINC001157987360 1033856492 /nfs/dbraw/zinc/85/64/92/1033856492.db2.gz LKWQUCHFZAQHGU-MRXNPFEDSA-N 1 0 399.832 3.884 20 30 GHEDRO COc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)ncc1C#N ZINC001158088775 1033908215 /nfs/dbraw/zinc/90/82/15/1033908215.db2.gz UVWBIFFCCGAMCP-UHFFFAOYSA-N 1 0 390.409 3.739 20 30 GHEDRO COC(=O)c1ccccc1-c1ccc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)o1 ZINC001206577128 1033912830 /nfs/dbraw/zinc/91/28/30/1033912830.db2.gz IGSZXIQGAACSKR-OAQYLSRUSA-N 1 0 390.439 3.770 20 30 GHEDRO CCOC(=O)c1csc2nc(-c3cccc([NH+]=c4cc[nH]c(C#N)c4)c3)cn12 ZINC001206640423 1033931523 /nfs/dbraw/zinc/93/15/23/1033931523.db2.gz ZWELCERRZFSFBS-UHFFFAOYSA-N 1 0 389.440 3.672 20 30 GHEDRO C#Cc1ccc(C(=O)N2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001158150804 1033937214 /nfs/dbraw/zinc/93/72/14/1033937214.db2.gz IOXUDAQCDLNYHF-QHCPKHFHSA-N 1 0 388.511 3.612 20 30 GHEDRO C#Cc1ccccc1C(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158150713 1033937599 /nfs/dbraw/zinc/93/75/99/1033937599.db2.gz HUOKGLSREKDPOB-JOCHJYFZSA-N 1 0 388.511 3.612 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(-c3ccc(OC)cc3)on1)CC2 ZINC001206825517 1034006794 /nfs/dbraw/zinc/00/67/94/1034006794.db2.gz KHGSBALYPVYCNM-QHCPKHFHSA-N 1 0 395.503 3.883 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[N@@H+]4CC[C@H]4C3)cc2c1Cl ZINC001158435544 1034077297 /nfs/dbraw/zinc/07/72/97/1034077297.db2.gz FHRBCXZFGSLKND-NSHDSACASA-N 1 0 383.229 3.852 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)cc1C#N ZINC001207105812 1034095319 /nfs/dbraw/zinc/09/53/19/1034095319.db2.gz BPXCWUKISSZIIF-UHFFFAOYSA-N 1 0 388.515 3.577 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001158565300 1034156198 /nfs/dbraw/zinc/15/61/98/1034156198.db2.gz STFDWPUKLBHSBX-VWNXMTODSA-N 1 0 376.500 3.861 20 30 GHEDRO C=CCN(CCN1CC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(C)o1)C(=O)OC(C)(C)C ZINC001207202111 1034170949 /nfs/dbraw/zinc/17/09/49/1034170949.db2.gz NBBYXSOPFJUEGW-UXHICEINSA-N 1 0 389.540 3.660 20 30 GHEDRO C=CCN(CC[NH+]1CCC(Oc2cc(C)ccn2)CC1)C(=O)OC(C)(C)C ZINC001207204155 1034173150 /nfs/dbraw/zinc/17/31/50/1034173150.db2.gz DHTWTAJVNGODDW-UHFFFAOYSA-N 1 0 375.513 3.656 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCOCc3ccccc3)C[C@@H]2c2ccccc2)C1=O ZINC001207230861 1034196937 /nfs/dbraw/zinc/19/69/37/1034196937.db2.gz HBGTXLYWPMTLCN-NOZRDPDXSA-N 1 0 390.527 3.707 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCCc2ccc(C[NH3+])nc21 ZINC001158658695 1034219130 /nfs/dbraw/zinc/21/91/30/1034219130.db2.gz GYQNXFAGAZDOMS-UHFFFAOYSA-N 1 0 385.805 3.976 20 30 GHEDRO N#Cc1cc(Cl)cc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)n1 ZINC001158669458 1034223358 /nfs/dbraw/zinc/22/33/58/1034223358.db2.gz AAJFQMCZYKHUAW-UHFFFAOYSA-N 1 0 380.757 3.950 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001207324600 1034273604 /nfs/dbraw/zinc/27/36/04/1034273604.db2.gz RCBMIOHYLJJVBD-QGZVFWFLSA-N 1 0 381.314 3.758 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001461896932 1069852157 /nfs/dbraw/zinc/85/21/57/1069852157.db2.gz CMYPJPUDIVLUSM-UHFFFAOYSA-N 1 0 394.515 3.653 20 30 GHEDRO N#CC1(c2ccccc2F)CCN(c2ccc(OCC3CC[NH2+]CC3)cn2)CC1 ZINC001158891831 1034322241 /nfs/dbraw/zinc/32/22/41/1034322241.db2.gz CRCHPXSTXVDPNO-UHFFFAOYSA-N 1 0 394.494 3.661 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](CCc1cccc(Br)c1)CC2 ZINC001207506749 1034410949 /nfs/dbraw/zinc/41/09/49/1034410949.db2.gz MENGEMOKHGJKEZ-UHFFFAOYSA-N 1 0 377.326 3.635 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001231205585 1034462459 /nfs/dbraw/zinc/46/24/59/1034462459.db2.gz HBNUIGJCQBBXHW-WVSUBDOOSA-N 1 0 391.918 3.963 20 30 GHEDRO C#Cc1ccc(C[N@H+]2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001207669713 1034520644 /nfs/dbraw/zinc/52/06/44/1034520644.db2.gz KLXBHIBUWKYYFS-SFHVURJKSA-N 1 0 384.520 3.658 20 30 GHEDRO C[NH+]1CCC(CNC(=O)CSCc2ccc(C#N)cc2)(c2ccccc2)CC1 ZINC001461905156 1069864260 /nfs/dbraw/zinc/86/42/60/1069864260.db2.gz UEJJONXCEGUAQX-UHFFFAOYSA-N 1 0 393.556 3.571 20 30 GHEDRO N#Cc1cc(Nc2cc(-c3cccc(Br)n3)no2)cc(C2C[NH2+]C2)c1 ZINC001159312087 1034539204 /nfs/dbraw/zinc/53/92/04/1034539204.db2.gz WIIQHUUDIGYDIX-UHFFFAOYSA-N 1 0 396.248 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(Oc3ccccc3C#N)CC2)C1 ZINC001207768655 1034567858 /nfs/dbraw/zinc/56/78/58/1034567858.db2.gz XGIDTRQEIWRCNM-UHFFFAOYSA-N 1 0 385.508 3.658 20 30 GHEDRO Cc1c(F)ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1F ZINC001231480208 1034624200 /nfs/dbraw/zinc/62/42/00/1034624200.db2.gz WHDXZOXIKMUMMQ-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO N#Cc1cc(Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159521794 1034638636 /nfs/dbraw/zinc/63/86/36/1034638636.db2.gz URXNKSQVFUHVSZ-UHFFFAOYSA-N 1 0 396.494 3.961 20 30 GHEDRO COc1cc(C#N)ccc1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001159575863 1034674780 /nfs/dbraw/zinc/67/47/80/1034674780.db2.gz ILBQPHWZBRVBGE-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001159591745 1034681634 /nfs/dbraw/zinc/68/16/34/1034681634.db2.gz AWNAXIRZEOLFHZ-LBPRGKRZSA-N 1 0 395.850 3.656 20 30 GHEDRO N#Cc1ccc(Nc2cccc3c2CC[NH2+]C3)c(I)c1 ZINC001159703455 1034716697 /nfs/dbraw/zinc/71/66/97/1034716697.db2.gz JVPSPEBLQDETAN-UHFFFAOYSA-N 1 0 375.213 3.552 20 30 GHEDRO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ncc1C#N ZINC001208079726 1034728110 /nfs/dbraw/zinc/72/81/10/1034728110.db2.gz UZLXEDDDYOUFSN-IBGZPJMESA-N 1 0 377.492 3.684 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(F)cc3OC)C2)CC1 ZINC001231602263 1034759066 /nfs/dbraw/zinc/75/90/66/1034759066.db2.gz NGGPLVZZGJZGQR-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C=C(C)[C@@H]1CC=C(CN2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)CC1 ZINC001208170674 1034771910 /nfs/dbraw/zinc/77/19/10/1034771910.db2.gz KJZNZLHXVONALQ-YFNKSVMNSA-N 1 0 381.564 3.968 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001231619476 1034778085 /nfs/dbraw/zinc/77/80/85/1034778085.db2.gz WYTUKQBAULXNIH-UHFFFAOYSA-N 1 0 388.446 3.764 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)c1 ZINC001231623178 1034782865 /nfs/dbraw/zinc/78/28/65/1034782865.db2.gz WONYHWYWPLJPMB-JOCHJYFZSA-N 1 0 397.544 3.641 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001159947529 1034797224 /nfs/dbraw/zinc/79/72/24/1034797224.db2.gz DSBRFSCXPKJBON-AWEZNQCLSA-N 1 0 387.487 3.698 20 30 GHEDRO N#Cc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001159951948 1034798994 /nfs/dbraw/zinc/79/89/94/1034798994.db2.gz JGDIPIAHMRLVJR-AWEZNQCLSA-N 1 0 383.411 3.775 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c1 ZINC001231657174 1034814856 /nfs/dbraw/zinc/81/48/56/1034814856.db2.gz OBSGMTBGTZPMJS-RLAPIPATSA-N 1 0 378.541 3.546 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](CC1(c3ccccc3)CCOCC1)CCO2 ZINC001208225495 1034814898 /nfs/dbraw/zinc/81/48/98/1034814898.db2.gz ACFDBPZXTVDJJA-ISKFKSNPSA-N 1 0 385.548 3.809 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC)c2ccccc2O3)c1 ZINC001231658931 1034816407 /nfs/dbraw/zinc/81/64/07/1034816407.db2.gz BGQLMEVWXNMRJQ-OAQYLSRUSA-N 1 0 388.511 3.705 20 30 GHEDRO N#Cc1c(F)cc(Br)cc1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001160021866 1034832650 /nfs/dbraw/zinc/83/26/50/1034832650.db2.gz KFRQLVOHVVSDQY-UHFFFAOYSA-N 1 0 375.245 3.613 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c(Cl)cc(OC)cc1OC)C2 ZINC001231698242 1034848036 /nfs/dbraw/zinc/84/80/36/1034848036.db2.gz PUFOZANLCLCIBH-SFTDATJTSA-N 1 0 395.927 3.931 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001208307545 1034853591 /nfs/dbraw/zinc/85/35/91/1034853591.db2.gz DIIACSWOBNRQSP-OAQYLSRUSA-N 1 0 384.545 3.748 20 30 GHEDRO CC(C)(C)NC(=O)c1ccnc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001160107483 1034863751 /nfs/dbraw/zinc/86/37/51/1034863751.db2.gz RHKQEGZZNPDQQZ-UHFFFAOYSA-N 1 0 391.519 3.580 20 30 GHEDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC001208341435 1034864061 /nfs/dbraw/zinc/86/40/61/1034864061.db2.gz NYVBMPCRQOGNKM-GOSISDBHSA-N 1 0 397.544 3.720 20 30 GHEDRO N#Cc1c(Cl)ccc(Nc2ccc(C(=O)N3CC[NH2+]CC3)cc2)c1Cl ZINC001160249808 1034917124 /nfs/dbraw/zinc/91/71/24/1034917124.db2.gz GRTHIFNBOHLZAN-UHFFFAOYSA-N 1 0 375.259 3.654 20 30 GHEDRO N#Cc1ncc(Nc2ccc([C@@H](O)C[NH2+]CCc3ccccc3)cc2)cc1F ZINC001160253898 1034919410 /nfs/dbraw/zinc/91/94/10/1034919410.db2.gz SQVLVVMWZQJVIW-QFIPXVFZSA-N 1 0 376.435 3.702 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231819132 1034927581 /nfs/dbraw/zinc/92/75/81/1034927581.db2.gz KGCFECLAOPUMHD-QHCPKHFHSA-N 1 0 380.536 3.570 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc1 ZINC001231820615 1034928479 /nfs/dbraw/zinc/92/84/79/1034928479.db2.gz QBXKMUGFNGPNQK-UHFFFAOYSA-N 1 0 384.524 3.526 20 30 GHEDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1Cl ZINC001231868839 1034954772 /nfs/dbraw/zinc/95/47/72/1034954772.db2.gz GRZTVQHBRJGWPO-JOCHJYFZSA-N 1 0 395.890 3.855 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001160595790 1035012684 /nfs/dbraw/zinc/01/26/84/1035012684.db2.gz UTTDCOXFKWZCRP-KRWDZBQOSA-N 1 0 398.473 3.603 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001208828288 1035044995 /nfs/dbraw/zinc/04/49/95/1035044995.db2.gz JSEWAMXSJRQAHW-QGZVFWFLSA-N 1 0 381.314 3.758 20 30 GHEDRO CCCCN(CC#N)C(=O)CC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001160728726 1035045216 /nfs/dbraw/zinc/04/52/16/1035045216.db2.gz FLMIZBLSGQRQHH-UHFFFAOYSA-N 1 0 381.442 3.869 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001160742213 1035052650 /nfs/dbraw/zinc/05/26/50/1035052650.db2.gz NFMOSDCGIVEIEF-HXUWFJFHSA-N 1 0 392.890 3.700 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001208849875 1035057410 /nfs/dbraw/zinc/05/74/10/1035057410.db2.gz OPGJNAFSYAEJNC-XMMPIXPASA-N 1 0 388.515 3.543 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC001208852973 1035059496 /nfs/dbraw/zinc/05/94/96/1035059496.db2.gz YLFOAEHLOPVOGV-KMDXXIMOSA-N 1 0 391.515 3.582 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CCCc3cccc(C#N)c3)C[C@H]12 ZINC001208852731 1035059746 /nfs/dbraw/zinc/05/97/46/1035059746.db2.gz RPHZKAOMUOIBMG-LOSJGSFVSA-N 1 0 387.527 3.755 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1 ZINC001208856746 1035061416 /nfs/dbraw/zinc/06/14/16/1035061416.db2.gz RWZZGNOUFZIGPO-QFIPXVFZSA-N 1 0 377.488 3.588 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2ncn(CC3CC3)c21 ZINC001208856040 1035061462 /nfs/dbraw/zinc/06/14/62/1035061462.db2.gz JHFSNDVBPNKRDC-NRFANRHFSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)cc1 ZINC001208859889 1035063705 /nfs/dbraw/zinc/06/37/05/1035063705.db2.gz VNEDSAVWLOSQSA-ZEQRLZLVSA-N 1 0 375.516 3.998 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)cc1 ZINC001208862167 1035065086 /nfs/dbraw/zinc/06/50/86/1035065086.db2.gz UTKQBXZESDNGNI-DEOSSOPVSA-N 1 0 388.515 3.543 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)s1 ZINC001276596519 1035074377 /nfs/dbraw/zinc/07/43/77/1035074377.db2.gz VBZFQFKHECHXEO-UHFFFAOYSA-N 1 0 385.455 3.890 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)cc1Cl ZINC001232115761 1035104780 /nfs/dbraw/zinc/10/47/80/1035104780.db2.gz AUXYREHQXAWUHC-UHFFFAOYSA-N 1 0 383.854 3.980 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC001160994134 1035114513 /nfs/dbraw/zinc/11/45/13/1035114513.db2.gz NHEKNMPUIBPFKP-NZQKXSOJSA-N 1 0 387.527 3.734 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC001161004134 1035118700 /nfs/dbraw/zinc/11/87/00/1035118700.db2.gz VJANHBVZADUDHT-GOSISDBHSA-N 1 0 377.488 3.694 20 30 GHEDRO CCN(C(=O)Nc1cnc(OC)c(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001209051627 1035158908 /nfs/dbraw/zinc/15/89/08/1035158908.db2.gz ORHCJHLUDUOQEG-UZLBHIALSA-N 1 0 393.491 3.651 20 30 GHEDRO COc1ncc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1C#N ZINC001209051997 1035158928 /nfs/dbraw/zinc/15/89/28/1035158928.db2.gz SPJMTQLMZFSJCX-FQEVSTJZSA-N 1 0 393.491 3.557 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1NC1CC[NH+](CC2CCOCC2)CC1 ZINC001161214546 1035182287 /nfs/dbraw/zinc/18/22/87/1035182287.db2.gz AVDOREHJIYYROI-UHFFFAOYSA-N 1 0 382.533 3.985 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161233795 1035186734 /nfs/dbraw/zinc/18/67/34/1035186734.db2.gz BYJZGGWTSZUCLZ-UHFFFAOYSA-N 1 0 383.540 3.862 20 30 GHEDRO C=CCCC[N@@H+]1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC001209158413 1035196003 /nfs/dbraw/zinc/19/60/03/1035196003.db2.gz NXKLTYIRIHTWKS-JOCHJYFZSA-N 1 0 382.529 3.758 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CC[C@@H](N2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001209443150 1035275269 /nfs/dbraw/zinc/27/52/69/1035275269.db2.gz NARIVVURODFXJD-IRLDBZIGSA-N 1 0 380.573 3.631 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC001209622318 1035334344 /nfs/dbraw/zinc/33/43/44/1035334344.db2.gz NEZYMSGATVTFNP-UHFFFAOYSA-N 1 0 398.551 3.682 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c1 ZINC001248153764 1035579078 /nfs/dbraw/zinc/57/90/78/1035579078.db2.gz FCRCAKRFUKFMRC-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccccc3N3CCCCC3)no2)cc1 ZINC001248158119 1035584692 /nfs/dbraw/zinc/58/46/92/1035584692.db2.gz XLTQPRUCNGKDSD-IBGZPJMESA-N 1 0 387.487 3.711 20 30 GHEDRO CC[NH+](CC)Cc1ccc(-c2nc3ccccc3nc2[C@H](C#N)C(=O)OC)cc1 ZINC001241576426 1035628889 /nfs/dbraw/zinc/62/88/89/1035628889.db2.gz VCMVCGZEFGVQDB-SFHVURJKSA-N 1 0 388.471 3.919 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)F)c(-c3cnn(C4CC[NH2+]CC4)c3)nn2)cc1 ZINC001241774365 1035693011 /nfs/dbraw/zinc/69/30/11/1035693011.db2.gz APWQNLAWNFTFJG-UHFFFAOYSA-N 1 0 398.392 3.822 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2nc3c(cc2C#N)CCCC3(C)C)cc1 ZINC001241782292 1035698490 /nfs/dbraw/zinc/69/84/90/1035698490.db2.gz OZKUZMDYOBKKPK-UHFFFAOYSA-N 1 0 390.531 3.916 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cn4ccnc34)C2)C1 ZINC001248431033 1035847425 /nfs/dbraw/zinc/84/74/25/1035847425.db2.gz UACGPTMUXBSYLK-HXUWFJFHSA-N 1 0 388.899 3.598 20 30 GHEDRO Cc1noc2ccc(C[N@@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)cc12 ZINC001248702007 1036067057 /nfs/dbraw/zinc/06/70/57/1036067057.db2.gz AHNVRJGFBIDHQZ-QHCPKHFHSA-N 1 0 386.455 3.637 20 30 GHEDRO CCOc1ccc(F)c(-c2ncc3c(c2C#N)CCC[NH2+]C3)c1Br ZINC001243253437 1036078349 /nfs/dbraw/zinc/07/83/49/1036078349.db2.gz ROIWCBUTMYJYQE-UHFFFAOYSA-N 1 0 390.256 3.956 20 30 GHEDRO CCc1cc(C#N)ccc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001248750657 1036108445 /nfs/dbraw/zinc/10/84/45/1036108445.db2.gz REBCGBGETVEVAL-FYYLOGMGSA-N 1 0 379.479 3.597 20 30 GHEDRO CCN(CC)C(=O)c1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(OC)c1 ZINC001243498319 1036178281 /nfs/dbraw/zinc/17/82/81/1036178281.db2.gz SXGHYXFKIFHIDG-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@H](N)CC4CC[NH2+]CC4)n3)cc2)cc1 ZINC001248895214 1036225416 /nfs/dbraw/zinc/22/54/16/1036225416.db2.gz BMNPNSPBONOYQG-HXUWFJFHSA-N 1 0 389.459 3.790 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC001462084140 1069986117 /nfs/dbraw/zinc/98/61/17/1069986117.db2.gz KRANXSCQTSFKKZ-UHFFFAOYSA-N 1 0 381.823 3.810 20 30 GHEDRO CCN(CC)C(=O)c1cccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c1F ZINC001244715701 1036608609 /nfs/dbraw/zinc/60/86/09/1036608609.db2.gz ICBMXAADPPZWPP-UHFFFAOYSA-N 1 0 395.478 3.977 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3ccc(OC4CCOCC4)c(C#N)c3)cc2)CC1 ZINC001245306642 1036866820 /nfs/dbraw/zinc/86/68/20/1036866820.db2.gz RXSDVWNADRQHDP-UHFFFAOYSA-N 1 0 377.488 3.535 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1-c1ccncc1C[NH3+] ZINC001245555712 1036951391 /nfs/dbraw/zinc/95/13/91/1036951391.db2.gz KCTGSNSPPBBZJB-UHFFFAOYSA-N 1 0 380.568 3.816 20 30 GHEDRO COc1cc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)ccc1OC(F)(F)F ZINC001245714305 1036979768 /nfs/dbraw/zinc/97/97/68/1036979768.db2.gz JEZXEJJMHXQOLS-UHFFFAOYSA-N 1 0 377.366 3.542 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001245900410 1037047279 /nfs/dbraw/zinc/04/72/79/1037047279.db2.gz BHUOYVUCRBZWQR-UHFFFAOYSA-N 1 0 391.544 3.638 20 30 GHEDRO N#Cc1ccc(-c2ccc(NC[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)cc2)cc1 ZINC001245964264 1037087881 /nfs/dbraw/zinc/08/78/81/1037087881.db2.gz RVLITOXGJAHCSK-XZOQPEGZSA-N 1 0 393.437 3.846 20 30 GHEDRO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNc1cc(F)c(C(F)(F)F)cc1F ZINC001245964317 1037088209 /nfs/dbraw/zinc/08/82/09/1037088209.db2.gz XKMWTAWIIKDHKB-GOEBONIOSA-N 1 0 396.306 3.605 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246026028 1037144042 /nfs/dbraw/zinc/14/40/42/1037144042.db2.gz HYNFVDJWPZFJFU-RJGXRXQPSA-N 1 0 398.632 3.595 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001246038056 1037154543 /nfs/dbraw/zinc/15/45/43/1037154543.db2.gz UXLAWKLWOBVESB-ZLNRFVROSA-N 1 0 398.632 3.738 20 30 GHEDRO C[C@H](c1ccccc1)N(C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C1=CC(=O)CCC1 ZINC001246067641 1037180894 /nfs/dbraw/zinc/18/08/94/1037180894.db2.gz WNUWCBVHXBYUIF-PUZWTLIVSA-N 1 0 378.516 3.617 20 30 GHEDRO CCCCCCCC[NH+]1CCC2(CN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001278440143 1037273614 /nfs/dbraw/zinc/27/36/14/1037273614.db2.gz QHLHFWLAUDYWAL-UHFFFAOYSA-N 1 0 380.964 3.821 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246312984 1037292145 /nfs/dbraw/zinc/29/21/45/1037292145.db2.gz QBMGXZUJKDARLJ-YJBOKZPZSA-N 1 0 385.335 3.667 20 30 GHEDRO C#CCOc1ccc(-c2nc3cccc(F)c3n2CC2CC[NH2+]CC2)cc1OC ZINC001247037273 1037859619 /nfs/dbraw/zinc/85/96/19/1037859619.db2.gz LRBYUZZRVQUSGI-UHFFFAOYSA-N 1 0 393.462 3.863 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(SC)nc1)CC2 ZINC001232325291 1038099993 /nfs/dbraw/zinc/09/99/93/1038099993.db2.gz YOXDOFGXHFJEHG-UHFFFAOYSA-N 1 0 375.538 3.804 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)c(C)cc3Br)C2)C1=O ZINC001232466272 1038251544 /nfs/dbraw/zinc/25/15/44/1038251544.db2.gz LPTZZOIMRCKYJE-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cnc(C)c3)c(OC)c1)C2 ZINC001232561176 1038329605 /nfs/dbraw/zinc/32/96/05/1038329605.db2.gz DDODLTFGQKJAOK-REWPJTCUSA-N 1 0 397.519 3.515 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@H]4CC[C@@]5(C4)C[NH2+]CCO5)n3)cc2)cc1 ZINC001247916843 1038491731 /nfs/dbraw/zinc/49/17/31/1038491731.db2.gz LHOGSCBOBAJFST-NZQKXSOJSA-N 1 0 386.455 3.901 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001248025847 1038542930 /nfs/dbraw/zinc/54/29/30/1038542930.db2.gz GFPFFQCXTLJPRW-DEOSSOPVSA-N 1 0 393.531 3.963 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)nc3Cl)C2)C1=O ZINC001232792287 1038559040 /nfs/dbraw/zinc/55/90/40/1038559040.db2.gz XHTWQIYDIIUDHY-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001232844039 1038594650 /nfs/dbraw/zinc/59/46/50/1038594650.db2.gz FSVAEFQMPYRGHU-APWZRJJASA-N 1 0 379.501 3.791 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2CF)CC1 ZINC001232844125 1038595801 /nfs/dbraw/zinc/59/58/01/1038595801.db2.gz GDTZHSRLFSLWAN-CZUORRHYSA-N 1 0 379.501 3.695 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2CF)CC1 ZINC001232844121 1038596128 /nfs/dbraw/zinc/59/61/28/1038596128.db2.gz GDTZHSRLFSLWAN-BBRMVZONSA-N 1 0 379.501 3.695 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cc(F)ccc4C#N)C3)C2=O)c1 ZINC001232892068 1038682963 /nfs/dbraw/zinc/68/29/63/1038682963.db2.gz ZXYAJGFUWCQICQ-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cnc(OC)c3ccccc13)CCO2 ZINC001232949649 1038726850 /nfs/dbraw/zinc/72/68/50/1038726850.db2.gz RCGICVFENAXOSD-AUSIDOKSSA-N 1 0 382.504 3.817 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(I)cc1O ZINC001232979144 1038747972 /nfs/dbraw/zinc/74/79/72/1038747972.db2.gz SLIBHJBQUGLMTL-UHFFFAOYSA-N 1 0 378.213 3.500 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)c2)s1 ZINC001252069410 1038842214 /nfs/dbraw/zinc/84/22/14/1038842214.db2.gz RKMOAEFCEFKXBH-GOSISDBHSA-N 1 0 380.517 3.666 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001233079569 1038843565 /nfs/dbraw/zinc/84/35/65/1038843565.db2.gz IDCOMSRPMHLALZ-RBUKOAKNSA-N 1 0 387.499 3.942 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CC1)c1ncc(C)n1CCN2CC ZINC001252125388 1038871580 /nfs/dbraw/zinc/87/15/80/1038871580.db2.gz CYCJNYAXJGBKSO-NRFANRHFSA-N 1 0 390.616 3.930 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001252129251 1038883670 /nfs/dbraw/zinc/88/36/70/1038883670.db2.gz XXOQYWRWTQGFCR-URVUXULASA-N 1 0 376.541 3.805 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H]1Cn2nnc(-c3ccccc3)c2CO1 ZINC001252135509 1038887638 /nfs/dbraw/zinc/88/76/38/1038887638.db2.gz DNXFEOBUKLWBFE-PMACEKPBSA-N 1 0 386.540 3.545 20 30 GHEDRO C[C@@](O)(C[NH2+]C[C@@H]1CCC(C)(C)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339242 1038946392 /nfs/dbraw/zinc/94/63/92/1038946392.db2.gz YNKSYRHSPBIXHF-BFUOFWGJSA-N 1 0 397.441 3.682 20 30 GHEDRO C=CCOC[C@H](O)C[NH+]1CCC(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC001252472114 1038999695 /nfs/dbraw/zinc/99/96/95/1038999695.db2.gz OAKBYYIFOJWYSV-HSZRJFAPSA-N 1 0 379.500 3.812 20 30 GHEDRO C=CCOC[C@H](O)C[NH+]1CCC(c2c[nH]c3ccc(OC(F)(F)F)cc32)CC1 ZINC001252474201 1039001051 /nfs/dbraw/zinc/00/10/51/1039001051.db2.gz WIYMUPQIDOFFJY-OAHLLOKOSA-N 1 0 398.425 3.809 20 30 GHEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001252595355 1039041685 /nfs/dbraw/zinc/04/16/85/1039041685.db2.gz GUCVVTMPYSERHX-PMACEKPBSA-N 1 0 386.536 3.650 20 30 GHEDRO C=CCC[C@@H](O)CNc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001252605024 1039044647 /nfs/dbraw/zinc/04/46/47/1039044647.db2.gz FYXDCUCPAKTVQL-XMMPIXPASA-N 1 0 379.548 3.743 20 30 GHEDRO C=CCC[C@H](O)CNc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001252605023 1039044922 /nfs/dbraw/zinc/04/49/22/1039044922.db2.gz FYXDCUCPAKTVQL-DEOSSOPVSA-N 1 0 379.548 3.743 20 30 GHEDRO COC(=O)/C=C/c1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001233299896 1039094626 /nfs/dbraw/zinc/09/46/26/1039094626.db2.gz SRPLIBVZWOZVQY-ZHACJKMWSA-N 1 0 376.456 3.788 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)CC1 ZINC001252739482 1039118973 /nfs/dbraw/zinc/11/89/73/1039118973.db2.gz GAFLYGBWUMVXLJ-UHFFFAOYSA-N 1 0 398.551 3.631 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@H](O)CNC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001252769540 1039161613 /nfs/dbraw/zinc/16/16/13/1039161613.db2.gz PLCZXHABPUOELT-OAQYLSRUSA-N 1 0 392.499 3.988 20 30 GHEDRO N#Cc1c(Cl)ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC001252942287 1039286608 /nfs/dbraw/zinc/28/66/08/1039286608.db2.gz URUKZJMMWGZQPV-IBGZPJMESA-N 1 0 376.287 3.914 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2OCCN(C(C)=O)[C@H]2CC1 ZINC001252979642 1039309307 /nfs/dbraw/zinc/30/93/07/1039309307.db2.gz LXWBRAFYIAJUFO-FKBYEOEOSA-N 1 0 382.589 3.590 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)NC(C)C)[C@@H]2C1 ZINC001252987132 1039314462 /nfs/dbraw/zinc/31/44/62/1039314462.db2.gz ZJPQYPAPGAGOHQ-MBDNFAEBSA-N 1 0 396.616 3.597 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001252986907 1039314778 /nfs/dbraw/zinc/31/47/78/1039314778.db2.gz YERBPFWARCGXHE-DOIPELPJSA-N 1 0 393.572 3.902 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](CO)c1cccc(S(C)(=O)=O)c1 ZINC001252990160 1039316802 /nfs/dbraw/zinc/31/68/02/1039316802.db2.gz WSHQZRNYDQFNNV-CTNGQTDRSA-N 1 0 399.597 3.605 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H](O)COC[C@@H](CC)CCCC)CC2 ZINC001253001554 1039328717 /nfs/dbraw/zinc/32/87/17/1039328717.db2.gz VCSDJNLJUYHXDA-XJUOHMSHSA-N 1 0 394.600 3.613 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc(-c4ccc(C#N)cc4)c3)C[C@H]1[N@@H+]2C ZINC001233511650 1039400390 /nfs/dbraw/zinc/40/03/90/1039400390.db2.gz KIVDUUVQENFRKS-SNJCGAMXSA-N 1 0 376.456 3.771 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(CCOC)cc1 ZINC001253073352 1039401682 /nfs/dbraw/zinc/40/16/82/1039401682.db2.gz QIPJAKIHSMCUHM-AZUAARDMSA-N 1 0 385.504 3.531 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001253235427 1039490117 /nfs/dbraw/zinc/49/01/17/1039490117.db2.gz LMWDFQINODVQAX-KAOXLYBCSA-N 1 0 388.552 3.718 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001253237729 1039493322 /nfs/dbraw/zinc/49/33/22/1039493322.db2.gz MJHYSDPHRXVIDA-IRLDBZIGSA-N 1 0 375.557 3.629 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1 ZINC001253238566 1039495257 /nfs/dbraw/zinc/49/52/57/1039495257.db2.gz DAZVHHJOVIZICK-FQEVSTJZSA-N 1 0 399.535 3.541 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(Oc2nc(C)cc(OC)n2)CC1 ZINC001253243516 1039500587 /nfs/dbraw/zinc/50/05/87/1039500587.db2.gz WNQFPBPOSDWMHO-SFHVURJKSA-N 1 0 377.529 3.524 20 30 GHEDRO CC#C[C@@H](CC(=O)OC)c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001233725701 1039568559 /nfs/dbraw/zinc/56/85/59/1039568559.db2.gz IKJAONGPUQCAIU-IBGZPJMESA-N 1 0 378.472 3.799 20 30 GHEDRO C=C[C@H](O)C[N@@H+](Cc1cc(C)cc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253588637 1039710454 /nfs/dbraw/zinc/71/04/54/1039710454.db2.gz YWWKSEOYADTVFG-FQEVSTJZSA-N 1 0 392.515 3.883 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2c1cccc2C ZINC001253602178 1039717121 /nfs/dbraw/zinc/71/71/21/1039717121.db2.gz DIZDDQAKMKDTMG-PKOBYXMFSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@H](O)C[NH2+]CC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608981 1039720273 /nfs/dbraw/zinc/72/02/73/1039720273.db2.gz OMVDNNOWYSXMNN-SFHVURJKSA-N 1 0 394.943 3.745 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@@H](O)C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001253986820 1039936088 /nfs/dbraw/zinc/93/60/88/1039936088.db2.gz MKRSIEKIOYIENW-NRFANRHFSA-N 1 0 394.515 3.771 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@@H](O)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001254008298 1039949595 /nfs/dbraw/zinc/94/95/95/1039949595.db2.gz NQXQJXRYAHJYAT-QHCPKHFHSA-N 1 0 393.527 3.977 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3sc(Br)cc3C)C2)C1=O ZINC001277849202 1039981629 /nfs/dbraw/zinc/98/16/29/1039981629.db2.gz RTQFPZVGZFNAKA-KRWDZBQOSA-N 1 0 383.355 3.820 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC001234544144 1040114775 /nfs/dbraw/zinc/11/47/75/1040114775.db2.gz FANFFEAIBCFRQQ-NRFANRHFSA-N 1 0 393.487 3.590 20 30 GHEDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCC(C#N)(c3ccc(F)cc3)CC1)C2 ZINC001254346593 1040180470 /nfs/dbraw/zinc/18/04/70/1040180470.db2.gz RFVQUUAHMNKMKL-ZPGVXSSASA-N 1 0 393.506 3.858 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC2(c3cnccn3)CCOCC2)CC1 ZINC001254350988 1040183369 /nfs/dbraw/zinc/18/33/69/1040183369.db2.gz QVBASBXQEIPIPN-UHFFFAOYSA-N 1 0 394.494 3.658 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2c[nH]c(=S)n2[C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001254639454 1040414285 /nfs/dbraw/zinc/41/42/85/1040414285.db2.gz UUTOMJKMPYKIHK-RCBQFDQVSA-N 1 0 388.487 3.962 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)(c2cccnc2)CC1 ZINC001254649621 1040418586 /nfs/dbraw/zinc/41/85/86/1040418586.db2.gz UTPIUAXDCOLTJD-PKOBYXMFSA-N 1 0 384.524 3.632 20 30 GHEDRO CCC[N@H+]([C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC)[C@@H]1CC[C@H](C#N)C1 ZINC001254669275 1040428905 /nfs/dbraw/zinc/42/89/05/1040428905.db2.gz QCNNZRZSCJTABU-SOUVJXGZSA-N 1 0 377.510 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+]Cc3csc(C#N)c3)CC2)C1 ZINC001254719343 1040478410 /nfs/dbraw/zinc/47/84/10/1040478410.db2.gz ZVCBVWYCJCZPLK-UHFFFAOYSA-N 1 0 391.537 3.658 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1 ZINC001235270046 1040748861 /nfs/dbraw/zinc/74/88/61/1040748861.db2.gz VRLNFDBCFKXXJZ-QFIPXVFZSA-N 1 0 378.520 3.557 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001462487317 1070295576 /nfs/dbraw/zinc/29/55/76/1070295576.db2.gz ZQQGIKMCXQMSIN-SFHVURJKSA-N 1 0 398.551 3.764 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(O)cc(OCC)c3)CC2)C1 ZINC001235386143 1040904791 /nfs/dbraw/zinc/90/47/91/1040904791.db2.gz NFAISKGNWMNYFA-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001255697952 1041222136 /nfs/dbraw/zinc/22/21/36/1041222136.db2.gz UXRWKZZGQXIGSI-SJLPKXTDSA-N 1 0 379.426 3.874 20 30 GHEDRO N#Cc1cc(F)c(CN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)c(F)c1 ZINC001235796078 1041296369 /nfs/dbraw/zinc/29/63/69/1041296369.db2.gz AMIBFEGVIORPLE-GOSISDBHSA-N 1 0 392.247 3.745 20 30 GHEDRO C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001255845201 1041339322 /nfs/dbraw/zinc/33/93/22/1041339322.db2.gz GHKPDHNMJHHYFI-UZUQRXQVSA-N 1 0 377.463 3.757 20 30 GHEDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(Br)c(C#N)c3)C2)C1=O ZINC001277974945 1041401850 /nfs/dbraw/zinc/40/18/50/1041401850.db2.gz QDYXINMTTJIXDY-LIRRHRJNSA-N 1 0 390.325 3.544 20 30 GHEDRO N#CC1(c2cccnc2-c2cnc3nonc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001236018113 1041510141 /nfs/dbraw/zinc/51/01/41/1041510141.db2.gz YCFNRQRNKNOKOL-UHFFFAOYSA-N 1 0 396.454 3.737 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)Cc1cccc(OC)c1)CC2 ZINC001256162270 1041600614 /nfs/dbraw/zinc/60/06/14/1041600614.db2.gz UDXUARFUHOWPGC-GOSISDBHSA-N 1 0 395.547 3.994 20 30 GHEDRO C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001256189566 1041632869 /nfs/dbraw/zinc/63/28/69/1041632869.db2.gz GCHGAJKIVXDFRQ-INIZCTEOSA-N 1 0 399.336 3.859 20 30 GHEDRO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(SC(F)(F)F)c1)CC2 ZINC001278000464 1041850381 /nfs/dbraw/zinc/85/03/81/1041850381.db2.gz IIWQUMPHULJDBK-INIZCTEOSA-N 1 0 382.451 3.650 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)C2 ZINC001236768436 1041880958 /nfs/dbraw/zinc/88/09/58/1041880958.db2.gz IBJKHXWXBIJKSU-PZJWPPBQSA-N 1 0 393.911 3.700 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001236817060 1041915056 /nfs/dbraw/zinc/91/50/56/1041915056.db2.gz CGSFZEWPCMNODE-UHFFFAOYSA-N 1 0 388.508 3.710 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2nc3ccccc3cc2Cl)CC1 ZINC001236877875 1041937918 /nfs/dbraw/zinc/93/79/18/1041937918.db2.gz RKUPEBMFOFLFTC-UHFFFAOYSA-N 1 0 384.955 3.680 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(-n3ccnc3)c(Cl)c1)CC2 ZINC001236901674 1041947051 /nfs/dbraw/zinc/94/70/51/1041947051.db2.gz ADQSLFDPZSRYIR-UHFFFAOYSA-N 1 0 384.911 3.669 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(F)c(N3CCCC3)c1)CC2 ZINC001237086451 1042028523 /nfs/dbraw/zinc/02/85/23/1042028523.db2.gz FFPXSSSKAUJZGS-QHCPKHFHSA-N 1 0 385.527 3.959 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc3[nH]c(C(=O)OC)cc3c1)CCO2 ZINC001237325065 1042148062 /nfs/dbraw/zinc/14/80/62/1042148062.db2.gz OPCYTMFPJZFPKZ-WMZHIEFXSA-N 1 0 398.503 3.528 20 30 GHEDRO N#Cc1ccc(CN2CCC3(CC2)[NH2+]Cc2ccccc23)c(Br)c1 ZINC001237366807 1042173864 /nfs/dbraw/zinc/17/38/64/1042173864.db2.gz USEHQVAFOYKJJG-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237471430 1042222663 /nfs/dbraw/zinc/22/26/63/1042222663.db2.gz UUTHRBOBWNBICS-KRWDZBQOSA-N 1 0 382.508 3.787 20 30 GHEDRO C[C@@H]1CCN(Cc2cc(C#N)c(F)cc2F)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001237524247 1042249669 /nfs/dbraw/zinc/24/96/69/1042249669.db2.gz GYXJLQLKXCFELA-CJNGLKHVSA-N 1 0 379.451 3.819 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3cc(C#N)c(F)cc3F)CC2)[C@@H]1c1ccccc1 ZINC001237526794 1042251055 /nfs/dbraw/zinc/25/10/55/1042251055.db2.gz RCXQYPUBWLEUQS-FQEVSTJZSA-N 1 0 381.426 3.632 20 30 GHEDRO CN1Cc2ccccc2CC2(CC[NH+](Cc3cc(C#N)c(F)cc3F)CC2)C1=O ZINC001237526757 1042251273 /nfs/dbraw/zinc/25/12/73/1042251273.db2.gz OPPFJKWAKHRLAB-UHFFFAOYSA-N 1 0 395.453 3.633 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnc(OC(F)F)c1)[C@@H]2CC ZINC001237612385 1042281905 /nfs/dbraw/zinc/28/19/05/1042281905.db2.gz MOHXYAFXMCDHPA-UZLBHIALSA-N 1 0 379.451 3.605 20 30 GHEDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(F)c1 ZINC001237629482 1042295195 /nfs/dbraw/zinc/29/51/95/1042295195.db2.gz KZTXRHWFSZJRAV-QHCPKHFHSA-N 1 0 393.462 3.725 20 30 GHEDRO COc1ccc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001237708190 1042335836 /nfs/dbraw/zinc/33/58/36/1042335836.db2.gz NDNAJDMABKFFGH-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO C=CCCn1cc(CN2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)nn1 ZINC001462617689 1070417434 /nfs/dbraw/zinc/41/74/34/1070417434.db2.gz KYFYYFGSAZHEHT-UHFFFAOYSA-N 1 0 391.560 3.617 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(-c3ccccn3)n1)CC2 ZINC001237831333 1042391128 /nfs/dbraw/zinc/39/11/28/1042391128.db2.gz DKTOYYYNVCQYFF-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3C(=O)OCC)C2)C1=O ZINC001238040600 1042469882 /nfs/dbraw/zinc/46/98/82/1042469882.db2.gz NJKDUTHKVLIAPE-NRFANRHFSA-N 1 0 390.911 3.517 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(Cl)c(C#N)c3)CC[C@@H]21 ZINC001238190415 1042514395 /nfs/dbraw/zinc/51/43/95/1042514395.db2.gz GHJRXTXPBMLYMN-URVUXULASA-N 1 0 397.954 3.782 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)ccc1Cl ZINC001238190482 1042514500 /nfs/dbraw/zinc/51/45/00/1042514500.db2.gz HKNAZPWKZGAXFA-LJQANCHMSA-N 1 0 379.891 3.707 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccc(Cl)c(C#N)c3)C[C@H]12 ZINC001238191358 1042514670 /nfs/dbraw/zinc/51/46/70/1042514670.db2.gz RSKQGGZTGXVLMF-GOTSBHOMSA-N 1 0 393.918 3.976 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)ccc1Cl ZINC001238192035 1042515514 /nfs/dbraw/zinc/51/55/14/1042515514.db2.gz XGIQWRSTYQLYNY-FQEVSTJZSA-N 1 0 397.906 3.947 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NC[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001238293281 1042544003 /nfs/dbraw/zinc/54/40/03/1042544003.db2.gz SDLYIKZNFVIWMN-LJQANCHMSA-N 1 0 388.618 3.738 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OCC)cc1Cl)CC2 ZINC001238393972 1042582261 /nfs/dbraw/zinc/58/22/61/1042582261.db2.gz GCKJPCCCQYMKIO-UHFFFAOYSA-N 1 0 378.900 3.959 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)ccc1C#N ZINC001238409323 1042586836 /nfs/dbraw/zinc/58/68/36/1042586836.db2.gz YHSQXQFDGXKKHG-OAQYLSRUSA-N 1 0 381.501 3.647 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3ccc(F)c(F)c3OC)C2)C1 ZINC001238475420 1042609939 /nfs/dbraw/zinc/60/99/39/1042609939.db2.gz OOLWXYQBYCEEOZ-HXUWFJFHSA-N 1 0 380.435 3.584 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2-c2ccncc2)C1 ZINC001238659588 1042674537 /nfs/dbraw/zinc/67/45/37/1042674537.db2.gz WFQYGBATEWINBL-IBGZPJMESA-N 1 0 381.476 3.634 20 30 GHEDRO CCc1cc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)ccc1C#N ZINC001238762514 1042718821 /nfs/dbraw/zinc/71/88/21/1042718821.db2.gz LFRVFSMHMLUBEI-QTJGBDASSA-N 1 0 393.531 3.825 20 30 GHEDRO CC(C)(C)CN([C@H]1CC[C@H]([NH3+])CC1)S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001239166410 1042778165 /nfs/dbraw/zinc/77/81/65/1042778165.db2.gz WZXNHPGZQPRTQY-WKILWMFISA-N 1 0 383.945 3.518 20 30 GHEDRO C=CCCCNC(=S)Nc1ccc([C@@H](O)C[NH2+]CCc2ccccc2)cc1 ZINC001239350004 1042812509 /nfs/dbraw/zinc/81/25/09/1042812509.db2.gz LXXHSNDBZXVVKW-NRFANRHFSA-N 1 0 383.561 3.805 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239373132 1042815639 /nfs/dbraw/zinc/81/56/39/1042815639.db2.gz LVBZCVNQNDLPOI-YOEHRIQHSA-N 1 0 382.455 3.786 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCC1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001239393934 1042821527 /nfs/dbraw/zinc/82/15/27/1042821527.db2.gz LZESHMHYDAGOJW-UHFFFAOYSA-N 1 0 382.508 3.596 20 30 GHEDRO N#Cc1cc(-c2ccc(C(=O)Nc3ccccc3)cc2)ccc1N1CC[NH2+]CC1 ZINC001240047115 1042875934 /nfs/dbraw/zinc/87/59/34/1042875934.db2.gz LNKKHEPCOYYZQC-UHFFFAOYSA-N 1 0 382.467 3.887 20 30 GHEDRO CCOC(=O)c1ccc(C(F)(F)F)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)n1 ZINC001240342857 1042922405 /nfs/dbraw/zinc/92/24/05/1042922405.db2.gz AWWYMPQPZTWOSY-UHFFFAOYSA-N 1 0 375.350 3.503 20 30 GHEDRO COc1ccccc1Oc1nc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ncc1F ZINC001240346727 1042922513 /nfs/dbraw/zinc/92/25/13/1042922513.db2.gz VKNZAVYQWFFEFV-UHFFFAOYSA-N 1 0 376.391 3.642 20 30 GHEDRO N#C/N=C1\SCCN1Cc1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC001240386098 1042924468 /nfs/dbraw/zinc/92/44/68/1042924468.db2.gz ZWLVBKQDIICPNE-LVWGJNHUSA-N 1 0 389.528 3.757 20 30 GHEDRO N#Cc1cc(-c2cnc(Cl)n2[C@@H]2CCCCO2)ccc1OC1CC[NH2+]CC1 ZINC001240544339 1042939596 /nfs/dbraw/zinc/93/95/96/1042939596.db2.gz HOYLZQSUDLDUTG-IBGZPJMESA-N 1 0 386.883 3.905 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-c3ccc(N4CC[NH+](C)CC4)cc3)nn2)cc1 ZINC001240848918 1042957961 /nfs/dbraw/zinc/95/79/61/1042957961.db2.gz JTDMLNJIIVDHHD-QFIPXVFZSA-N 1 0 383.499 3.859 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC001291071350 1043063488 /nfs/dbraw/zinc/06/34/88/1043063488.db2.gz ZXIHUKALUVNSTN-FUHIMQAGSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001291127877 1043095098 /nfs/dbraw/zinc/09/50/98/1043095098.db2.gz NLQZYDBEVPFOMJ-RTBURBONSA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291144629 1043107629 /nfs/dbraw/zinc/10/76/29/1043107629.db2.gz RRCWKWBJTDZTSO-OALUTQOASA-N 1 0 386.588 3.870 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)[C@@H]1C ZINC001291154369 1043113473 /nfs/dbraw/zinc/11/34/73/1043113473.db2.gz YAGFEFBYXPCJST-IAGOWNOFSA-N 1 0 380.540 3.639 20 30 GHEDRO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCCCC1 ZINC001291155204 1043114258 /nfs/dbraw/zinc/11/42/58/1043114258.db2.gz NCOHPKTYXIYWQJ-RBUKOAKNSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1)c1ccccc1 ZINC001256504400 1043436865 /nfs/dbraw/zinc/43/68/65/1043436865.db2.gz CJORBGVHRYEETR-QRVBRYPASA-N 1 0 388.508 3.835 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)[C@H](C)C1)C2 ZINC001256521613 1043444920 /nfs/dbraw/zinc/44/49/20/1043444920.db2.gz ARGOIONPGFWCST-UEVCKROQSA-N 1 0 391.559 3.534 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001307094779 1043479847 /nfs/dbraw/zinc/47/98/47/1043479847.db2.gz ZVNDSRSQYMUINS-HXUWFJFHSA-N 1 0 378.520 3.954 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291844707 1043496898 /nfs/dbraw/zinc/49/68/98/1043496898.db2.gz ICRXLDZORAEKDZ-SFHLNBCPSA-N 1 0 394.567 3.900 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)C1=O ZINC001256545634 1043504971 /nfs/dbraw/zinc/50/49/71/1043504971.db2.gz UBQMNSWQFGSPEN-SFLYRZDNSA-N 1 0 381.564 3.540 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCN(Cc3ccccc3)CC1)C2 ZINC001256605422 1043568690 /nfs/dbraw/zinc/56/86/90/1043568690.db2.gz GKFUOQNLCDYSBX-DEOSSOPVSA-N 1 0 381.564 3.684 20 30 GHEDRO CN(C(=O)OC(C)(C)C)C1CCC([NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001256672843 1043612184 /nfs/dbraw/zinc/61/21/84/1043612184.db2.gz GIGVRCUCSUHULT-UHFFFAOYSA-N 1 0 398.551 3.858 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CCN([C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001256922690 1043752405 /nfs/dbraw/zinc/75/24/05/1043752405.db2.gz FJLKXSIVMSAYAI-QFIPXVFZSA-N 1 0 395.551 3.551 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CCC#N)CC2)C[C@@H]1c1ccccc1 ZINC001256947160 1043766890 /nfs/dbraw/zinc/76/68/90/1043766890.db2.gz FIKODHWFINJVKA-LEWJYISDSA-N 1 0 398.551 3.658 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]CC3(c4cnccn4)CCOCC3)CC2)cc1 ZINC001257013251 1043799700 /nfs/dbraw/zinc/79/97/00/1043799700.db2.gz BZZJBNPYYWBUHN-UHFFFAOYSA-N 1 0 376.504 3.712 20 30 GHEDRO COc1cccc(N2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)n1 ZINC001257019864 1043804682 /nfs/dbraw/zinc/80/46/82/1043804682.db2.gz WPOADTIDYXDUIJ-UHFFFAOYSA-N 1 0 376.504 3.810 20 30 GHEDRO COc1nccc(N(C2CC[NH2+]CC2)C2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001257022124 1043805871 /nfs/dbraw/zinc/80/58/71/1043805871.db2.gz GNTCRVPGUHURSD-UHFFFAOYSA-N 1 0 391.519 3.642 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(C)C ZINC001292957984 1043965247 /nfs/dbraw/zinc/96/52/47/1043965247.db2.gz QUTIWXIEPFLMAZ-ROUUACIJSA-N 1 0 385.335 3.842 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCC(=O)OCCCC)[C@H]2CC ZINC001257397872 1043984595 /nfs/dbraw/zinc/98/45/95/1043984595.db2.gz WUEZSKDNTQTZPD-IPJJNNNSSA-N 1 0 378.557 3.920 20 30 GHEDRO CCCCCCCCCC[C@H](C)[N@@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001257550075 1044036740 /nfs/dbraw/zinc/03/67/40/1044036740.db2.gz HNFRLNCAKZYXAU-RBBKRZOGSA-N 1 0 382.589 3.855 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001257593820 1044078451 /nfs/dbraw/zinc/07/84/51/1044078451.db2.gz IWBFXADSTZZDKE-MHORFTMASA-N 1 0 395.544 3.540 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCC(CC#N)CC1 ZINC001293370848 1044140026 /nfs/dbraw/zinc/14/00/26/1044140026.db2.gz LOOVXZMUANLJEP-HXUWFJFHSA-N 1 0 384.572 3.940 20 30 GHEDRO CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001293387536 1044146685 /nfs/dbraw/zinc/14/66/85/1044146685.db2.gz SIMUYDCANFNVNE-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001293467437 1044196821 /nfs/dbraw/zinc/19/68/21/1044196821.db2.gz RXCWCDBCGDTKAP-RXVVDRJESA-N 1 0 392.551 3.927 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257891541 1044247925 /nfs/dbraw/zinc/24/79/25/1044247925.db2.gz MPZRNPNPSVHHLT-XVIHPZHVSA-N 1 0 380.532 3.594 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CC3)CN(C(=O)c3cccnc3)CCO4)C[C@H](C1)C2 ZINC001257893269 1044249202 /nfs/dbraw/zinc/24/92/02/1044249202.db2.gz PFONPJONBSMCFV-RLAPIPATSA-N 1 0 395.547 3.524 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN(C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258010703 1044335957 /nfs/dbraw/zinc/33/59/57/1044335957.db2.gz CZCPPLYGBUZOOM-UHFFFAOYSA-N 1 0 377.573 3.607 20 30 GHEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C ZINC001258044322 1044367890 /nfs/dbraw/zinc/36/78/90/1044367890.db2.gz LTJDPMPTMJZYDA-OALUTQOASA-N 1 0 390.572 3.755 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001258044659 1044368169 /nfs/dbraw/zinc/36/81/69/1044368169.db2.gz SHJQWWUERXRVFE-FVTFTPSCSA-N 1 0 387.568 3.784 20 30 GHEDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc(-c4ccc(C#N)cc4)o3)o2)C[C@H](C)O1 ZINC001258133105 1044417302 /nfs/dbraw/zinc/41/73/02/1044417302.db2.gz VWSITGFUADUMBA-GJZGRUSLSA-N 1 0 378.432 3.520 20 30 GHEDRO CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001294237447 1044542335 /nfs/dbraw/zinc/54/23/35/1044542335.db2.gz YDYAIDGTIJKYGK-KRWDZBQOSA-N 1 0 380.540 3.926 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCN(c3cccc(F)c3)CC1)C2 ZINC001258421210 1044553321 /nfs/dbraw/zinc/55/33/21/1044553321.db2.gz CNGGAQNMAUETAK-GOTSBHOMSA-N 1 0 388.527 3.868 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](C3CCN(c4cccc(F)c4)CC3)CC2)c(F)c1 ZINC001258425495 1044560430 /nfs/dbraw/zinc/56/04/30/1044560430.db2.gz KVTDTZCKUWCKHO-UHFFFAOYSA-N 1 0 382.458 3.627 20 30 GHEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(Cc3ccc(Cl)cc3)S(=O)(=O)[C@@H]2CC1 ZINC001258727084 1044733809 /nfs/dbraw/zinc/73/38/09/1044733809.db2.gz FHXTWTRSTKVTDY-YVWKXTFCSA-N 1 0 396.984 3.921 20 30 GHEDRO C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)OC)cc1 ZINC001258725030 1044734686 /nfs/dbraw/zinc/73/46/86/1044734686.db2.gz DYWPKDGMKNPHSR-YJBOKZPZSA-N 1 0 376.497 3.983 20 30 GHEDRO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@]2(C(=O)OCC)C1 ZINC001258729676 1044736118 /nfs/dbraw/zinc/73/61/18/1044736118.db2.gz WTJBKTFXAYQVMI-FGSXEWAUSA-N 1 0 394.556 3.853 20 30 GHEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C[NH+]1CCCC1)C1CC1 ZINC001295162092 1044934764 /nfs/dbraw/zinc/93/47/64/1044934764.db2.gz OHGRIDOWUICWOT-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC(CC#N)CC1)c1ccsc1 ZINC001295390846 1044997134 /nfs/dbraw/zinc/99/71/34/1044997134.db2.gz BWBVTNWVFPLGQV-IBGZPJMESA-N 1 0 386.569 3.861 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC001295466176 1045028572 /nfs/dbraw/zinc/02/85/72/1045028572.db2.gz SNTKHIIBLKVWME-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21)C(C)C ZINC001295827140 1045157152 /nfs/dbraw/zinc/15/71/52/1045157152.db2.gz MBKBPQNQJNTOKM-VQTJNVASSA-N 1 0 378.524 3.536 20 30 GHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC1(C)C)C(C)C ZINC001295834462 1045159531 /nfs/dbraw/zinc/15/95/31/1045159531.db2.gz VELKLFKWRTZBKO-UHFFFAOYSA-N 1 0 380.540 3.926 20 30 GHEDRO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)C1CC1 ZINC001295861267 1045173067 /nfs/dbraw/zinc/17/30/67/1045173067.db2.gz AXCCLGBXQMJMSE-UHFFFAOYSA-N 1 0 384.572 3.625 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)Cc1csc(C#N)c1 ZINC001462891304 1070631703 /nfs/dbraw/zinc/63/17/03/1070631703.db2.gz LJNXBGNPPNDMQU-UHFFFAOYSA-N 1 0 397.610 3.861 20 30 GHEDRO C=CC1(CC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC001297703296 1045608431 /nfs/dbraw/zinc/60/84/31/1045608431.db2.gz QSBCHNMHGKLZIR-UHFFFAOYSA-N 1 0 383.580 3.789 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(Br)cc1C#N ZINC001298641580 1045906209 /nfs/dbraw/zinc/90/62/09/1045906209.db2.gz ZAEOGBFDYJGCJL-INIZCTEOSA-N 1 0 378.314 3.561 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001261257384 1045943540 /nfs/dbraw/zinc/94/35/40/1045943540.db2.gz PUPVJARKRZBUMM-FRIKZZABSA-N 1 0 389.499 3.639 20 30 GHEDRO C#CCN(C(=O)c1cccc2c(Br)cccc12)C1CC[NH+](C)CC1 ZINC001462995572 1070716731 /nfs/dbraw/zinc/71/67/31/1070716731.db2.gz FBXRGWXMTQWAAY-UHFFFAOYSA-N 1 0 385.305 3.772 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(C2CCC2)nnc1N(CCC#N)CC1CC1 ZINC001298885395 1045974928 /nfs/dbraw/zinc/97/49/28/1045974928.db2.gz IZUXUCXMCIIBPP-LJQANCHMSA-N 1 0 384.572 3.796 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300799839 1046168119 /nfs/dbraw/zinc/16/81/19/1046168119.db2.gz HLDLSXZMPARYNJ-XMSQKQJNSA-N 1 0 380.540 3.530 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC(C)C)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001300917702 1046239759 /nfs/dbraw/zinc/23/97/59/1046239759.db2.gz KGNHXGSHUFNYKB-UHFFFAOYSA-N 1 0 381.568 3.937 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001301034567 1046298890 /nfs/dbraw/zinc/29/88/90/1046298890.db2.gz QVDYMJATVASPAJ-UHFFFAOYSA-N 1 0 390.963 3.594 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001301085699 1046329247 /nfs/dbraw/zinc/32/92/47/1046329247.db2.gz PFROQFRXBICIDS-PMACEKPBSA-N 1 0 387.572 3.798 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccncc3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001301087578 1046331451 /nfs/dbraw/zinc/33/14/51/1046331451.db2.gz LZJOEUJKYLTECF-UHFFFAOYSA-N 1 0 394.567 3.542 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001301119061 1046354708 /nfs/dbraw/zinc/35/47/08/1046354708.db2.gz ULLQFTCLPYYCEW-SFHVURJKSA-N 1 0 394.567 3.783 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301154005 1046375505 /nfs/dbraw/zinc/37/55/05/1046375505.db2.gz INRSJAQOFHOXHV-UYAOXDASSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001301206991 1046403576 /nfs/dbraw/zinc/40/35/76/1046403576.db2.gz MTQAHBQCILXWDD-SJORKVTESA-N 1 0 398.511 3.738 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001262961554 1046451950 /nfs/dbraw/zinc/45/19/50/1046451950.db2.gz MOGODTHZPXTOKL-UHFFFAOYSA-N 1 0 398.555 3.971 20 30 GHEDRO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001262962491 1046452907 /nfs/dbraw/zinc/45/29/07/1046452907.db2.gz OGKNWAARVDQLDP-WMZOPIPTSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001301287337 1046455020 /nfs/dbraw/zinc/45/50/20/1046455020.db2.gz ZHGJJUXXDAUCIK-IBGZPJMESA-N 1 0 397.567 3.944 20 30 GHEDRO C=CCN(C)c1nnc(CC2CCCC2)n1Cc1ccccc1-n1ccnc1 ZINC001301305748 1046467578 /nfs/dbraw/zinc/46/75/78/1046467578.db2.gz NJVGAEPLZNKZBG-UHFFFAOYSA-N 1 0 376.508 3.867 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[N@@H+](CCC)C1)C1CC1 ZINC001301322450 1046484680 /nfs/dbraw/zinc/48/46/80/1046484680.db2.gz JNTZRHNHTGKJKY-GOSISDBHSA-N 1 0 380.540 3.535 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1CC1([NH+](C)C)CCC1 ZINC001301411233 1046530505 /nfs/dbraw/zinc/53/05/05/1046530505.db2.gz VRXZGFCAUAYFED-UHFFFAOYSA-N 1 0 383.540 3.858 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001301450322 1046548473 /nfs/dbraw/zinc/54/84/73/1046548473.db2.gz VCIJUXXQGBLZQS-UHFFFAOYSA-N 1 0 392.551 3.933 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1csc([C@H](C)N)n1 ZINC001263080149 1046550503 /nfs/dbraw/zinc/55/05/03/1046550503.db2.gz OXLCWJMAQRBYPF-JTQLQIEISA-N 1 0 398.301 3.893 20 30 GHEDRO C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001301463547 1046551607 /nfs/dbraw/zinc/55/16/07/1046551607.db2.gz ZDMVZJODZSFIGI-OAQYLSRUSA-N 1 0 394.567 3.542 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001263299351 1046696410 /nfs/dbraw/zinc/69/64/10/1046696410.db2.gz BNKUXPFJHJFBIA-SFHVURJKSA-N 1 0 397.567 3.885 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001301957022 1046761265 /nfs/dbraw/zinc/76/12/65/1046761265.db2.gz RGWZECCVHCQDIH-KSSFIOAISA-N 1 0 386.931 3.535 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001302295276 1046902684 /nfs/dbraw/zinc/90/26/84/1046902684.db2.gz LGRCSIOCYTYQOI-LJQANCHMSA-N 1 0 390.911 3.994 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC001302295274 1046903121 /nfs/dbraw/zinc/90/31/21/1046903121.db2.gz LFVRGFLPTUSQSG-UHFFFAOYSA-N 1 0 375.497 3.772 20 30 GHEDRO C=CCOCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000385469337 1047239893 /nfs/dbraw/zinc/23/98/93/1047239893.db2.gz FQNFOOXIPVVKBM-UHFFFAOYSA-N 1 0 379.092 3.512 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC001264205718 1047265331 /nfs/dbraw/zinc/26/53/31/1047265331.db2.gz HAMAQQDHSDWTAR-UHFFFAOYSA-N 1 0 381.907 3.644 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(C)CC1 ZINC001303270523 1047333925 /nfs/dbraw/zinc/33/39/25/1047333925.db2.gz BGQVDQFUUJPRRI-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC(C#N)CC2)C1 ZINC001303305820 1047352562 /nfs/dbraw/zinc/35/25/62/1047352562.db2.gz VNBRGAQZHOBHHD-OAQYLSRUSA-N 1 0 398.599 3.871 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)[N@H+](C)C1CC1 ZINC001303701499 1047486445 /nfs/dbraw/zinc/48/64/45/1047486445.db2.gz QTPRQTKUGYACLA-OPAMFIHVSA-N 1 0 396.514 3.697 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)CC1 ZINC001303793170 1047513666 /nfs/dbraw/zinc/51/36/66/1047513666.db2.gz WEOXMLINBYWURC-UHFFFAOYSA-N 1 0 394.327 3.944 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)CC1 ZINC001303793034 1047513795 /nfs/dbraw/zinc/51/37/95/1047513795.db2.gz UWNDXVCWOZYCOY-GOSISDBHSA-N 1 0 394.544 3.520 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001279273061 1047752860 /nfs/dbraw/zinc/75/28/60/1047752860.db2.gz QQSASQZCAVDOCT-UHFFFAOYSA-N 1 0 378.948 3.597 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304795236 1047771683 /nfs/dbraw/zinc/77/16/83/1047771683.db2.gz DNWAMCVFLHXFDG-VGSWGCGISA-N 1 0 380.540 3.605 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CC2)C1 ZINC001305023030 1047839833 /nfs/dbraw/zinc/83/98/33/1047839833.db2.gz PHTLOOADBLOMPM-QGZVFWFLSA-N 1 0 392.551 3.926 20 30 GHEDRO C=CCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1(C#N)CCC1 ZINC001279833491 1047963438 /nfs/dbraw/zinc/96/34/38/1047963438.db2.gz DWHDODBGKRBUBM-GOSISDBHSA-N 1 0 375.582 3.883 20 30 GHEDRO C[N@H+]1CC[C@H]2CN(C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279911876 1047986614 /nfs/dbraw/zinc/98/66/14/1047986614.db2.gz SHAKMQBNGVCNFR-OKILXGFUSA-N 1 0 382.455 3.547 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C)CC1 ZINC001305607502 1048179802 /nfs/dbraw/zinc/17/98/02/1048179802.db2.gz QDQYDJNBFMKOLY-SFHVURJKSA-N 1 0 378.524 3.703 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001286282709 1048252743 /nfs/dbraw/zinc/25/27/43/1048252743.db2.gz PGGIWESZCMXHIZ-LAUBAEHRSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286286920 1048256418 /nfs/dbraw/zinc/25/64/18/1048256418.db2.gz LAZBDYLSYSMKLM-XLIONFOSSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001286288894 1048257317 /nfs/dbraw/zinc/25/73/17/1048257317.db2.gz KEYMVADMJALJIF-QGZVFWFLSA-N 1 0 391.544 3.523 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+](C)[C@H](C)CC ZINC001286296343 1048260803 /nfs/dbraw/zinc/26/08/03/1048260803.db2.gz NUMDKKKSNFKZHR-SJORKVTESA-N 1 0 387.959 3.711 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286296426 1048260900 /nfs/dbraw/zinc/26/09/00/1048260900.db2.gz OULUXPYNTRYCME-WIYYLYMNSA-N 1 0 397.542 3.586 20 30 GHEDRO C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001286397808 1048301395 /nfs/dbraw/zinc/30/13/95/1048301395.db2.gz PVWSMOJTDZHOGD-OAQYLSRUSA-N 1 0 391.563 3.514 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCC[NH+](CCC)CCC ZINC001286519495 1048346504 /nfs/dbraw/zinc/34/65/04/1048346504.db2.gz DYWZMKWZYKUCLH-HSZRJFAPSA-N 1 0 394.567 3.844 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286531239 1048354693 /nfs/dbraw/zinc/35/46/93/1048354693.db2.gz UJYXYNQIUVPDHI-YCRNBWNJSA-N 1 0 399.583 3.632 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286643529 1048408151 /nfs/dbraw/zinc/40/81/51/1048408151.db2.gz MHFALIHVGZXLMN-FQEVSTJZSA-N 1 0 390.535 3.705 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001286648293 1048415309 /nfs/dbraw/zinc/41/53/09/1048415309.db2.gz PCWBMFSIQQTZGR-OAQYLSRUSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286654530 1048421306 /nfs/dbraw/zinc/42/13/06/1048421306.db2.gz KRTHSVCGHAICKZ-IBGZPJMESA-N 1 0 382.556 3.719 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001286656735 1048425218 /nfs/dbraw/zinc/42/52/18/1048425218.db2.gz YTNUTXUCRCKXOG-FQEVSTJZSA-N 1 0 395.551 3.840 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286666501 1048431921 /nfs/dbraw/zinc/43/19/21/1048431921.db2.gz WDXOJVDXHSBWQM-WOJBJXKFSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286670057 1048434424 /nfs/dbraw/zinc/43/44/24/1048434424.db2.gz BVBGUGLBOXHJHY-UHFFFAOYSA-N 1 0 382.556 3.781 20 30 GHEDRO C=CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286692813 1048453693 /nfs/dbraw/zinc/45/36/93/1048453693.db2.gz OXHXPMVDSONRMU-ROUUACIJSA-N 1 0 383.540 3.839 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1CC1CC[NH+](CCC)CC1 ZINC001286718489 1048474822 /nfs/dbraw/zinc/47/48/22/1048474822.db2.gz LHZDTIKDFXZRQW-UHFFFAOYSA-N 1 0 383.540 3.698 20 30 GHEDRO C=CCN(C)c1nnc(C2CCCC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001286723764 1048481133 /nfs/dbraw/zinc/48/11/33/1048481133.db2.gz ZIVFGOPVAMVAOR-UHFFFAOYSA-N 1 0 383.540 3.547 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[NH+](CC)CC)C1CC1 ZINC001286735223 1048493492 /nfs/dbraw/zinc/49/34/92/1048493492.db2.gz RNGYAHHEUZBJNY-QGZVFWFLSA-N 1 0 378.524 3.702 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CC[NH+]1CCCCCC1 ZINC001286739089 1048498141 /nfs/dbraw/zinc/49/81/41/1048498141.db2.gz OPLASXSMTLHPRW-UHFFFAOYSA-N 1 0 383.540 3.664 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286754740 1048506966 /nfs/dbraw/zinc/50/69/66/1048506966.db2.gz DPVBKURSGVKACC-IBGZPJMESA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001286755282 1048508550 /nfs/dbraw/zinc/50/85/50/1048508550.db2.gz SHFPAWMGDSWUKT-LJQANCHMSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCSCCn1c(C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001286825061 1048537773 /nfs/dbraw/zinc/53/77/73/1048537773.db2.gz FTDMPFIIRYDREZ-IBGZPJMESA-N 1 0 377.602 3.598 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001286967189 1048558931 /nfs/dbraw/zinc/55/89/31/1048558931.db2.gz CIAVPOFNYWIHGX-YJBOKZPZSA-N 1 0 386.569 3.896 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001286967656 1048559784 /nfs/dbraw/zinc/55/97/84/1048559784.db2.gz IUYNPVHIYDALCX-ROUUACIJSA-N 1 0 398.555 3.893 20 30 GHEDRO CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1)[NH+]1CCCCC1 ZINC001287087080 1048593778 /nfs/dbraw/zinc/59/37/78/1048593778.db2.gz GHGGMLBITWIPMY-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CC)C1 ZINC001306366521 1048604604 /nfs/dbraw/zinc/60/46/04/1048604604.db2.gz HKCYPYPTVNVILA-QZTJIDSGSA-N 1 0 380.540 3.783 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001287205987 1048651918 /nfs/dbraw/zinc/65/19/18/1048651918.db2.gz JPQVDPKBHZZHJS-QFIPXVFZSA-N 1 0 380.540 3.641 20 30 GHEDRO CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)C1 ZINC001287255964 1048686240 /nfs/dbraw/zinc/68/62/40/1048686240.db2.gz PWWIOKDOGCZBSG-OAQYLSRUSA-N 1 0 392.551 3.785 20 30 GHEDRO CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CC(C)(C)C[NH+](C)C ZINC001287363810 1048736642 /nfs/dbraw/zinc/73/66/42/1048736642.db2.gz MZLPJXHBTSNKHQ-UHFFFAOYSA-N 1 0 382.556 3.572 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCC1 ZINC001306682085 1048810547 /nfs/dbraw/zinc/81/05/47/1048810547.db2.gz BUVVQKYXHJQQBW-UHFFFAOYSA-N 1 0 380.540 3.929 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCCC1 ZINC001287911542 1048943145 /nfs/dbraw/zinc/94/31/45/1048943145.db2.gz IKYVMIXWGOUFPZ-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C(C)C ZINC001306924158 1048962188 /nfs/dbraw/zinc/96/21/88/1048962188.db2.gz BIQMKQHXTQYRHR-GOSISDBHSA-N 1 0 384.480 3.557 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1cc(C#N)c(Br)cn1 ZINC001306973013 1048987477 /nfs/dbraw/zinc/98/74/77/1048987477.db2.gz ZDPVGXKUWOIXAS-OAHLLOKOSA-N 1 0 385.309 3.817 20 30 GHEDRO C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001288632407 1049172011 /nfs/dbraw/zinc/17/20/11/1049172011.db2.gz XLMJWGXAADFXAK-KSFYIVLOSA-N 1 0 391.523 3.507 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C)C[NH+]1CCCCC1 ZINC001288697675 1049202295 /nfs/dbraw/zinc/20/22/95/1049202295.db2.gz DQTGVQCZPYHFMR-MOPGFXCFSA-N 1 0 392.551 3.927 20 30 GHEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3c(C)cc(C#N)cc3C)[C@@H](C)C2)cc1 ZINC001307449955 1049285345 /nfs/dbraw/zinc/28/53/45/1049285345.db2.gz JFEXYXLSSYYYQE-SFHVURJKSA-N 1 0 377.488 3.672 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC001307546533 1049388610 /nfs/dbraw/zinc/38/86/10/1049388610.db2.gz QCZQQLHJRUDFBL-TYPHKJRUSA-N 1 0 398.551 3.562 20 30 GHEDRO C[C@H](O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001307687637 1049506648 /nfs/dbraw/zinc/50/66/48/1049506648.db2.gz GEHZNYDIWZSDII-LLDVTBCESA-N 1 0 389.565 3.554 20 30 GHEDRO Cc1ccc([C@@H](Cn2c(C3CC3)nnc2N2CCC[C@](C)(C#N)C2)[NH+](C)C)cc1 ZINC001289482034 1049508546 /nfs/dbraw/zinc/50/85/46/1049508546.db2.gz JBFGQEULGPYLKI-NFBKMPQASA-N 1 0 392.551 3.897 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC[N@H+](C)Cc2ccccc2)o1 ZINC001289531780 1049527055 /nfs/dbraw/zinc/52/70/55/1049527055.db2.gz PBWJPWRXLIRXRT-QGZVFWFLSA-N 1 0 392.507 3.574 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC001307713380 1049527657 /nfs/dbraw/zinc/52/76/57/1049527657.db2.gz OXWSUUZRUSNTBM-SFHVURJKSA-N 1 0 397.544 3.908 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001289532097 1049527820 /nfs/dbraw/zinc/52/78/20/1049527820.db2.gz SFPMDPWHBZWTDW-QZTJIDSGSA-N 1 0 398.555 3.955 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)o1 ZINC001289560277 1049540603 /nfs/dbraw/zinc/54/06/03/1049540603.db2.gz OMQGPGOAGWBZTR-LJQANCHMSA-N 1 0 396.539 3.707 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001307775164 1049583724 /nfs/dbraw/zinc/58/37/24/1049583724.db2.gz LADPFUZNMIXBGD-UHFFFAOYSA-N 1 0 381.423 3.647 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2c[nH]c3cccc(C#N)c32)[NH+]2CCCC2)cc1 ZINC001290006400 1049706436 /nfs/dbraw/zinc/70/64/36/1049706436.db2.gz XACHXITWFFZMJP-NRFANRHFSA-N 1 0 388.471 3.615 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2(C)C)c1 ZINC001307992943 1049745192 /nfs/dbraw/zinc/74/51/92/1049745192.db2.gz UCTPWENDMGLQFC-FQEVSTJZSA-N 1 0 393.462 3.723 20 30 GHEDRO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC001308007581 1049755933 /nfs/dbraw/zinc/75/59/33/1049755933.db2.gz HAORUXYRDAUFCH-GHTZIAJQSA-N 1 0 382.479 3.900 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3CSC[C@H]3C2)ccc1Cl ZINC001308007195 1049756204 /nfs/dbraw/zinc/75/62/04/1049756204.db2.gz XSYWWFUTFTXCCO-JKSUJKDBSA-N 1 0 377.941 3.580 20 30 GHEDRO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC001308015587 1049765012 /nfs/dbraw/zinc/76/50/12/1049765012.db2.gz OEQOPOSFPRRAML-QFIPXVFZSA-N 1 0 383.442 3.550 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](Cc3cccnc3)C3CCCC3)C2=O)cc1 ZINC001308023791 1049775391 /nfs/dbraw/zinc/77/53/91/1049775391.db2.gz APICJLMGMYXUHW-XZOQPEGZSA-N 1 0 388.515 3.840 20 30 GHEDRO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1(Cc2ccccc2)CCCC1 ZINC001308059719 1049807273 /nfs/dbraw/zinc/80/72/73/1049807273.db2.gz SEWRJOQFVCOKSC-JOCHJYFZSA-N 1 0 378.516 3.980 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC001308145048 1049882595 /nfs/dbraw/zinc/88/25/95/1049882595.db2.gz HEXWFRNJKVDUPQ-DLBZAZTESA-N 1 0 375.900 3.679 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001308145975 1049883268 /nfs/dbraw/zinc/88/32/68/1049883268.db2.gz SAHSMKIOUSKNRT-ZIAGYGMSSA-N 1 0 385.899 3.886 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)nc1 ZINC001308148235 1049885407 /nfs/dbraw/zinc/88/54/07/1049885407.db2.gz ITTDPETZNAVSBX-IBGZPJMESA-N 1 0 384.867 3.781 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001290739985 1049913884 /nfs/dbraw/zinc/91/38/84/1049913884.db2.gz IKJKYETUIPAOFJ-SFHVURJKSA-N 1 0 392.551 3.892 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1OC ZINC001308421186 1049971913 /nfs/dbraw/zinc/97/19/13/1049971913.db2.gz QRPBAYYTMQPOBF-UHFFFAOYSA-N 1 0 398.894 3.843 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)C1 ZINC001308521843 1049997908 /nfs/dbraw/zinc/99/79/08/1049997908.db2.gz ZIVGIVHXWJBAHU-MRXNPFEDSA-N 1 0 377.319 3.675 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC001308747349 1050079346 /nfs/dbraw/zinc/07/93/46/1050079346.db2.gz DVLNTJWQGIVWHD-SFHVURJKSA-N 1 0 383.511 3.948 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308888411 1050140921 /nfs/dbraw/zinc/14/09/21/1050140921.db2.gz PIAWMYUXIOXNMH-GUDVDZBRSA-N 1 0 379.342 3.602 20 30 GHEDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)cc1F ZINC001308924644 1050178269 /nfs/dbraw/zinc/17/82/69/1050178269.db2.gz WQJWOIWMCDKABW-GOSISDBHSA-N 1 0 379.435 3.672 20 30 GHEDRO COc1ccc(C(C)(C)C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1OC ZINC001308948501 1050208538 /nfs/dbraw/zinc/20/85/38/1050208538.db2.gz IORROZDMNDSYNA-LJQANCHMSA-N 1 0 394.519 3.825 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccccc3C#N)cc2)C1 ZINC001309062982 1050313615 /nfs/dbraw/zinc/31/36/15/1050313615.db2.gz BXXLKGZWKBKOEU-QZTJIDSGSA-N 1 0 397.544 3.515 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccccc1CC#N ZINC001309086999 1050338445 /nfs/dbraw/zinc/33/84/45/1050338445.db2.gz FJAJFIPUFKEXIE-NQIIRXRSSA-N 1 0 397.544 3.599 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001309780576 1050970321 /nfs/dbraw/zinc/97/03/21/1050970321.db2.gz QWIDZRYGMJZTFN-UHFFFAOYSA-N 1 0 391.562 3.623 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC001330571542 1051030300 /nfs/dbraw/zinc/03/03/00/1051030300.db2.gz KJDLAFHWEOROHQ-GHTZIAJQSA-N 1 0 382.529 3.963 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(Br)c3ccccc3c1)C2 ZINC001330983372 1051162811 /nfs/dbraw/zinc/16/28/11/1051162811.db2.gz HIGKHHWAKMKZQJ-BIWSTMPVSA-N 1 0 384.277 3.680 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001310212404 1051226673 /nfs/dbraw/zinc/22/66/73/1051226673.db2.gz ZMIAPHWWZZJQTP-XXBNENTESA-N 1 0 390.487 3.553 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)[C@H]2C1 ZINC001310364323 1051309879 /nfs/dbraw/zinc/30/98/79/1051309879.db2.gz PRVHLZNMEVLFTF-QAPCUYQASA-N 1 0 380.423 3.657 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)cc1 ZINC001310568862 1051454671 /nfs/dbraw/zinc/45/46/71/1051454671.db2.gz XMZZUQQQBLJAEN-LJQANCHMSA-N 1 0 379.508 3.819 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)ncc1C#N ZINC001311071217 1051825051 /nfs/dbraw/zinc/82/50/51/1051825051.db2.gz IZKQNSUCNHDWEZ-QGZVFWFLSA-N 1 0 377.492 3.958 20 30 GHEDRO COc1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001311120223 1051875161 /nfs/dbraw/zinc/87/51/61/1051875161.db2.gz MXMINHYUAPDVOE-IAGOWNOFSA-N 1 0 392.503 3.845 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)n3)cc2)C1 ZINC001311156427 1051911100 /nfs/dbraw/zinc/91/11/00/1051911100.db2.gz AYJKZBDODCRWIP-KRWDZBQOSA-N 1 0 377.492 3.701 20 30 GHEDRO OC1CCC(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC001335156803 1052044641 /nfs/dbraw/zinc/04/46/41/1052044641.db2.gz TZSNBJQBEILWEH-JPPWEJMLSA-N 1 0 381.307 3.640 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1ccccc1OCC[NH+](CC)CC)c1ccccc1 ZINC001311355348 1052052154 /nfs/dbraw/zinc/05/21/54/1052052154.db2.gz BJTBHSBLUNYBBF-OAQYLSRUSA-N 1 0 379.504 3.581 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21)C(C)C ZINC001311388031 1052080421 /nfs/dbraw/zinc/08/04/21/1052080421.db2.gz LMQNTXFPSKBTHT-HQRMLTQVSA-N 1 0 391.581 3.748 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001311639118 1052293881 /nfs/dbraw/zinc/29/38/81/1052293881.db2.gz WCHXEWDRKCBXPH-CRAIPNDOSA-N 1 0 392.341 3.545 20 30 GHEDRO C=C(Br)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001311757806 1052377486 /nfs/dbraw/zinc/37/74/86/1052377486.db2.gz USGAOVOFWFJUTJ-JYJNAYRXSA-N 1 0 380.330 3.588 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC001337471886 1052480631 /nfs/dbraw/zinc/48/06/31/1052480631.db2.gz MIBNCXNTGDHVPL-KRWDZBQOSA-N 1 0 399.926 3.817 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001312252945 1052661512 /nfs/dbraw/zinc/66/15/12/1052661512.db2.gz LBTDSOWFBZELLC-DQLDELGASA-N 1 0 381.907 3.977 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001312322636 1052695178 /nfs/dbraw/zinc/69/51/78/1052695178.db2.gz CWXOFWGUHMFGNQ-XZOQPEGZSA-N 1 0 375.516 3.961 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001312581726 1052799307 /nfs/dbraw/zinc/79/93/07/1052799307.db2.gz GOEVWUARMIPKFN-OXQOHEQNSA-N 1 0 396.922 3.779 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)NCc2ccc(C)c(C#N)c2)[NH+](C)C)cc1 ZINC001312753820 1052858837 /nfs/dbraw/zinc/85/88/37/1052858837.db2.gz PJQIGDWTJMSNHE-FQEVSTJZSA-N 1 0 382.533 3.691 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1ccc(Br)cc1 ZINC001312937328 1052915731 /nfs/dbraw/zinc/91/57/31/1052915731.db2.gz PCQNKBGVKICTJI-ROUUACIJSA-N 1 0 392.341 3.543 20 30 GHEDRO C#C[C@H](NC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1F ZINC001312943040 1052917349 /nfs/dbraw/zinc/91/73/49/1052917349.db2.gz OLNCJFAFDLIPBK-IBGZPJMESA-N 1 0 386.858 3.517 20 30 GHEDRO C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc(C#N)c1 ZINC001313292693 1053009302 /nfs/dbraw/zinc/00/93/02/1053009302.db2.gz SWJAMBPNOQFHOB-YSZBQJHXSA-N 1 0 388.515 3.783 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)[C@@H](C)O)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342313566 1053096877 /nfs/dbraw/zinc/09/68/77/1053096877.db2.gz TVRWAGMOQPCMEY-RTBURBONSA-N 1 0 389.588 3.573 20 30 GHEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCCC1)C(C)C ZINC001313588997 1053118338 /nfs/dbraw/zinc/11/83/38/1053118338.db2.gz AXGHPTYALCIPOV-UHFFFAOYSA-N 1 0 380.540 3.927 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001342632722 1053275120 /nfs/dbraw/zinc/27/51/20/1053275120.db2.gz OIJVZIAESMHBMZ-UHFFFAOYSA-N 1 0 395.551 3.521 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001342699399 1053307794 /nfs/dbraw/zinc/30/77/94/1053307794.db2.gz LHTCFYBIRFYAHI-MHORFTMASA-N 1 0 393.526 3.924 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001342828302 1053378681 /nfs/dbraw/zinc/37/86/81/1053378681.db2.gz UATWGPGVHAMFEL-OAQYLSRUSA-N 1 0 394.567 3.739 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3ocnc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342865827 1053398612 /nfs/dbraw/zinc/39/86/12/1053398612.db2.gz LTYMIZXZLMSSJH-UHFFFAOYSA-N 1 0 394.523 3.973 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)c1ccco1 ZINC001314653040 1053551247 /nfs/dbraw/zinc/55/12/47/1053551247.db2.gz KYWAMUITPGGKHH-KKSFZXQISA-N 1 0 384.528 3.602 20 30 GHEDRO C[NH+](C)C1(Cn2c(-c3ccccc3F)nnc2N2CCC(C)(C#N)CC2)CCC1 ZINC001314654061 1053552383 /nfs/dbraw/zinc/55/23/83/1053552383.db2.gz VEJGQKWGXDXMIR-UHFFFAOYSA-N 1 0 396.514 3.699 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001343315660 1053698096 /nfs/dbraw/zinc/69/80/96/1053698096.db2.gz VDPGWCDCFNHTHZ-IBGZPJMESA-N 1 0 395.551 3.666 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nnc1C(F)(F)CC1CC1 ZINC001343376480 1053734639 /nfs/dbraw/zinc/73/46/39/1053734639.db2.gz VITFQGIVBGQUEU-KSZLIROESA-N 1 0 393.526 3.913 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C3CC3)[nH]n2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001343440891 1053771790 /nfs/dbraw/zinc/77/17/90/1053771790.db2.gz BTJIOILIFJQFCY-UHFFFAOYSA-N 1 0 395.555 3.576 20 30 GHEDRO C#CCC(C)(C)c1nnc(N2CCC([NH+](CC)CC)CC2)n1Cc1cccs1 ZINC001343646669 1053945514 /nfs/dbraw/zinc/94/55/14/1053945514.db2.gz QJJMXBZNKDGOHP-UHFFFAOYSA-N 1 0 399.608 3.999 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CN(C(C)C)CCO2)n1Cc1cccs1 ZINC001343650759 1053948647 /nfs/dbraw/zinc/94/86/47/1053948647.db2.gz IZMUIFBSGBQIDU-GOSISDBHSA-N 1 0 389.569 3.572 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001343752762 1053999970 /nfs/dbraw/zinc/99/99/70/1053999970.db2.gz WITIKGVNJJUMCX-WSTZPKSXSA-N 1 0 382.556 3.715 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001343806325 1054039680 /nfs/dbraw/zinc/03/96/80/1054039680.db2.gz WNZGZEOZAKMMIK-UHFFFAOYSA-N 1 0 382.556 3.844 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(c2nnc(CC(C)(C)C#N)n2CC(C)C)CC1 ZINC001344347163 1054368097 /nfs/dbraw/zinc/36/80/97/1054368097.db2.gz VAPARXFAGRVKTK-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO C=CCn1cnn(CN(CCC)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1=S ZINC001318181613 1054480191 /nfs/dbraw/zinc/48/01/91/1054480191.db2.gz FWPATKVZVAWRAU-HXUWFJFHSA-N 1 0 385.581 3.934 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001318623596 1054756632 /nfs/dbraw/zinc/75/66/32/1054756632.db2.gz NCOAEJFJRPDRNT-YADHBBJMSA-N 1 0 377.488 3.740 20 30 GHEDRO C[NH+]1CCN(c2ccccc2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001318805660 1054884525 /nfs/dbraw/zinc/88/45/25/1054884525.db2.gz PKFZXXFUWYBJAD-UHFFFAOYSA-N 1 0 388.393 3.581 20 30 GHEDRO Cc1c(C(=O)OC[C@@H](C#N)Cc2ccccc2Br)ccc2c[nH+]cn21 ZINC001345719106 1055221386 /nfs/dbraw/zinc/22/13/86/1055221386.db2.gz KEGUJXTZXHKFRL-CQSZACIVSA-N 1 0 398.260 3.945 20 30 GHEDRO Cc1cccc(C[NH+]2CCN(c3nnc([C@H](C)CCC#N)n3CC3CC3)CC2)c1 ZINC001345748917 1055240682 /nfs/dbraw/zinc/24/06/82/1055240682.db2.gz GECFIXXEORWONN-LJQANCHMSA-N 1 0 392.551 3.726 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCN2c3ccccc3OCC2=O)cc1 ZINC001319785596 1055466634 /nfs/dbraw/zinc/46/66/34/1055466634.db2.gz YZDPUWXSEFOPIT-INIZCTEOSA-N 1 0 386.879 3.894 20 30 GHEDRO N#CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC001320013893 1055597859 /nfs/dbraw/zinc/59/78/59/1055597859.db2.gz NCXSASSWVRVHDD-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO CN1CCN(c2ccc(/C=C3\COc4c(F)ccc(F)c4C3=O)cc2F)CC1 ZINC001320024325 1055604223 /nfs/dbraw/zinc/60/42/23/1055604223.db2.gz DWBMYKXUZCFYBB-GXDHUFHOSA-N 1 0 388.389 3.514 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001300443402 1056104230 /nfs/dbraw/zinc/10/42/30/1056104230.db2.gz GIOODFXRCAFMHJ-GOSISDBHSA-N 1 0 393.491 3.736 20 30 GHEDRO C#CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001300457418 1056164945 /nfs/dbraw/zinc/16/49/45/1056164945.db2.gz CWPGNYKXBAAKKH-LEWJYISDSA-N 1 0 395.551 3.672 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300465439 1056193257 /nfs/dbraw/zinc/19/32/57/1056193257.db2.gz NEJUJYTYNGXWSW-FQEVSTJZSA-N 1 0 379.552 3.601 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC#N)cc1 ZINC001322125134 1056528450 /nfs/dbraw/zinc/52/84/50/1056528450.db2.gz RDAIDBBDUIIWAQ-LJQANCHMSA-N 1 0 378.476 3.575 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300648493 1056767172 /nfs/dbraw/zinc/76/71/72/1056767172.db2.gz FFICMFLDZUZWFD-OALUTQOASA-N 1 0 397.542 3.740 20 30 GHEDRO Cc1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1C[NH+](C)C ZINC000848220461 1056905119 /nfs/dbraw/zinc/90/51/19/1056905119.db2.gz QMDSUYMSXCZJHK-UHFFFAOYSA-N 1 0 399.535 3.646 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCC[N@H+]1CC ZINC001300789637 1057029802 /nfs/dbraw/zinc/02/98/02/1057029802.db2.gz SBZZIIWCWVIZEA-XMSQKQJNSA-N 1 0 381.524 3.713 20 30 GHEDRO Brc1cc(C=[NH+]NCCCn2ccnc2)ccc1N1CCCCC1 ZINC000848416660 1057075308 /nfs/dbraw/zinc/07/53/08/1057075308.db2.gz UGWCHRGPQPIMCR-UHFFFAOYSA-N 1 0 390.329 3.650 20 30 GHEDRO Brc1cnc(N=NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000848421651 1057078481 /nfs/dbraw/zinc/07/84/81/1057078481.db2.gz ZFCLLKMPNYZIKB-CALCHBBNSA-N 1 0 386.297 3.834 20 30 GHEDRO CON=Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001324303384 1057108299 /nfs/dbraw/zinc/10/82/99/1057108299.db2.gz UCFKGVJOIZWMDR-NOTZXAQLSA-N 1 0 391.515 3.982 20 30 GHEDRO Cc1cccc([C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)N2CCOCC2)c1 ZINC001324329525 1057113075 /nfs/dbraw/zinc/11/30/75/1057113075.db2.gz BSJPHFRTDLRHMS-WLXPTCNVSA-N 1 0 375.516 3.582 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000848529148 1057151399 /nfs/dbraw/zinc/15/13/99/1057151399.db2.gz KNOCNJZDWWTWDC-UHFFFAOYSA-N 1 0 381.495 3.878 20 30 GHEDRO C[C@@]1(CNC(=O)Nc2ccc(OCC#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001325140796 1057280060 /nfs/dbraw/zinc/28/00/60/1057280060.db2.gz VUQSOGWIVGKPQH-QFIPXVFZSA-N 1 0 378.476 3.623 20 30 GHEDRO Cc1cc(C[C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)n(-c2ccccc2)n1 ZINC001325843751 1057372748 /nfs/dbraw/zinc/37/27/48/1057372748.db2.gz GVFNGLBPQPNICE-KRWDZBQOSA-N 1 0 387.487 3.602 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001356100251 1057388750 /nfs/dbraw/zinc/38/87/50/1057388750.db2.gz KPCGGFJRJUHJTF-AFYVEPGGSA-N 1 0 399.583 3.588 20 30 GHEDRO C=C(Br)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001326083466 1057410984 /nfs/dbraw/zinc/41/09/84/1057410984.db2.gz GBUIMDSUBBCBJF-AYHJJNSGSA-N 1 0 392.341 3.780 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000848994983 1057499850 /nfs/dbraw/zinc/49/98/50/1057499850.db2.gz WKNJWJQGHRYISK-HNNXBMFYSA-N 1 0 386.496 3.731 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC001326520131 1057503075 /nfs/dbraw/zinc/50/30/75/1057503075.db2.gz VSMSNEYAILMQME-GOSISDBHSA-N 1 0 392.286 3.907 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(COC)o2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001356453211 1057517165 /nfs/dbraw/zinc/51/71/65/1057517165.db2.gz GTVUZUZIAPEYNO-UHFFFAOYSA-N 1 0 399.539 3.715 20 30 GHEDRO N#CCOc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC001326794385 1057559209 /nfs/dbraw/zinc/55/92/09/1057559209.db2.gz NCLIBLJEIRXEKA-UHFFFAOYSA-N 1 0 396.413 3.516 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001357199446 1057632741 /nfs/dbraw/zinc/63/27/41/1057632741.db2.gz AYRUEZUEKQNZEN-QFIPXVFZSA-N 1 0 383.536 3.686 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@H]2C1 ZINC001337819381 1058282021 /nfs/dbraw/zinc/28/20/21/1058282021.db2.gz FTFLWAPCZOEOGN-KVSKMBFKSA-N 1 0 384.524 3.930 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)CC3(C#N)CCCCC3)c3cnccc32)CC1 ZINC001440140527 1058436666 /nfs/dbraw/zinc/43/66/66/1058436666.db2.gz JOKCWLKPQHOGHJ-UHFFFAOYSA-N 1 0 391.519 3.789 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)C[NH+]2CCCCC2)s1 ZINC001441181987 1058719724 /nfs/dbraw/zinc/71/97/24/1058719724.db2.gz YBKVIHIVKVWIOZ-ZDUSSCGKSA-N 1 0 388.002 3.829 20 30 GHEDRO CCc1ccc(C#CC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001441319352 1058749726 /nfs/dbraw/zinc/74/97/26/1058749726.db2.gz JGTOMFPHTCOLDT-BGYRXZFFSA-N 1 0 390.527 3.526 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC001441364316 1058767836 /nfs/dbraw/zinc/76/78/36/1058767836.db2.gz WGDBWOSQLFWXEN-JBYIUTFZSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCn1c(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)nnc1C(C)(C)CC#N ZINC001339056117 1058941764 /nfs/dbraw/zinc/94/17/64/1058941764.db2.gz IHAXDQIBHPFQNN-LJQANCHMSA-N 1 0 392.551 3.614 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001339125210 1058971107 /nfs/dbraw/zinc/97/11/07/1058971107.db2.gz IKLAIOZOSYTYKE-VXKWHMMOSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001339141243 1058979409 /nfs/dbraw/zinc/97/94/09/1058979409.db2.gz XIVDDLFWDXSMAF-ZGXWSNOMSA-N 1 0 387.572 3.508 20 30 GHEDRO C=CCn1c(N2CCC([NH2+]C(C)C)CC2)nnc1[C@@]12CCOC1=CCCCC2 ZINC001339193894 1059003129 /nfs/dbraw/zinc/00/31/29/1059003129.db2.gz NYNYXHRQWARTTE-QFIPXVFZSA-N 1 0 385.556 3.547 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC001339251693 1059042002 /nfs/dbraw/zinc/04/20/02/1059042002.db2.gz FNTARMHRUZNGOO-CVDCTZTESA-N 1 0 392.551 3.715 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C)C(C)C ZINC001443421892 1059126998 /nfs/dbraw/zinc/12/69/98/1059126998.db2.gz DXVLEDDTRSEJAR-IFMALSPDSA-N 1 0 387.568 3.885 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1=Cc2ccccc2O[C@H]1C(F)F)C(C)C ZINC001443427655 1059128520 /nfs/dbraw/zinc/12/85/20/1059128520.db2.gz NCTSWCHQVLJVOC-UYAOXDASSA-N 1 0 390.474 3.911 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(C(F)(F)F)n2c1CCCC2)C(C)C ZINC001443426735 1059128725 /nfs/dbraw/zinc/12/87/25/1059128725.db2.gz LGZYNGYUYYZMPN-MRXNPFEDSA-N 1 0 398.473 3.667 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2nnc(N3Cc4cccc(C#N)c4C3)n2Cc2ccccc2)C1 ZINC001340363422 1059888045 /nfs/dbraw/zinc/88/80/45/1059888045.db2.gz OICPZIQTUMJNHG-NRFANRHFSA-N 1 0 398.514 3.527 20 30 GHEDRO C=CCn1c(-c2cccc(CC#N)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001340478600 1059946368 /nfs/dbraw/zinc/94/63/68/1059946368.db2.gz UKGWUFLVTXUDEE-HXUWFJFHSA-N 1 0 390.535 3.509 20 30 GHEDRO CCn1c(CC(C)(C)C#N)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001341167373 1060466652 /nfs/dbraw/zinc/46/66/52/1060466652.db2.gz VGDMWZXLSMFESK-QUCCMNQESA-N 1 0 394.567 3.880 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC12CCCCC2 ZINC001449891417 1060477766 /nfs/dbraw/zinc/47/77/66/1060477766.db2.gz ISRSLYDCXRCNLB-UHFFFAOYSA-N 1 0 391.519 3.554 20 30 GHEDRO CCn1c(CCCC#N)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001341186587 1060479046 /nfs/dbraw/zinc/47/90/46/1060479046.db2.gz LJOVJRIATQLQQX-SFTDATJTSA-N 1 0 392.551 3.635 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)CC1 ZINC001452656023 1060980573 /nfs/dbraw/zinc/98/05/73/1060980573.db2.gz QNIYDVLQTNDGGP-UHFFFAOYSA-N 1 0 393.325 3.736 20 30 GHEDRO C#CC1CCC(c2nnc(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)n2CC=C)CC1 ZINC001342038507 1061014474 /nfs/dbraw/zinc/01/44/74/1061014474.db2.gz QYXHSGIILJDKNN-IMPXWGQXSA-N 1 0 381.568 3.538 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC(C#N)CC1 ZINC001342231597 1061160078 /nfs/dbraw/zinc/16/00/78/1061160078.db2.gz BLUNSUHWSJWOAB-NRFANRHFSA-N 1 0 390.535 3.584 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342269473 1061191902 /nfs/dbraw/zinc/19/19/02/1061191902.db2.gz APGBAFDCJAMTTA-NRFANRHFSA-N 1 0 395.551 3.635 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1CC1 ZINC001346041592 1061313889 /nfs/dbraw/zinc/31/38/89/1061313889.db2.gz LBZWAYKOXLUJNT-WAOWUJCRSA-N 1 0 392.551 3.519 20 30 GHEDRO C=CCNc1ncc(C(=O)N2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)s1 ZINC001454410617 1061769029 /nfs/dbraw/zinc/76/90/29/1061769029.db2.gz ZMUMTUICGFKSBI-VXKWHMMOSA-N 1 0 396.560 3.725 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC001434893779 1062085623 /nfs/dbraw/zinc/08/56/23/1062085623.db2.gz KDBHGSJFKIXONH-UHFFFAOYSA-N 1 0 397.906 3.746 20 30 GHEDRO N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)c2)cc1 ZINC001455779756 1062289166 /nfs/dbraw/zinc/28/91/66/1062289166.db2.gz IWHOODNEKYOLQE-SFTDATJTSA-N 1 0 392.528 3.611 20 30 GHEDRO CCN(C(=O)Cc1c(C)cc(C#N)cc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435810412 1062942394 /nfs/dbraw/zinc/94/23/94/1062942394.db2.gz YSEBYGWSWLQCIM-QFIPXVFZSA-N 1 0 375.516 3.841 20 30 GHEDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001348372087 1063029169 /nfs/dbraw/zinc/02/91/69/1063029169.db2.gz QSPVRMJNRVFMOE-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO C[NH+](C)CCCOc1cnccc1CNc1cc(Br)ccc1C#N ZINC001458405667 1063786387 /nfs/dbraw/zinc/78/63/87/1063786387.db2.gz MZGSYHCKMFMVRZ-UHFFFAOYSA-N 1 0 389.297 3.658 20 30 GHEDRO C=CCC(F)(F)C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438034288 1063970420 /nfs/dbraw/zinc/97/04/20/1063970420.db2.gz ULVMUTGOQUJNJF-AWEZNQCLSA-N 1 0 387.268 3.870 20 30 GHEDRO N#Cc1cc2c(n(COC3CCCCC3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC001459179408 1064014959 /nfs/dbraw/zinc/01/49/59/1064014959.db2.gz KQNAZMWEVBEFGM-UHFFFAOYSA-N 1 0 377.488 3.585 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC001459311064 1064057708 /nfs/dbraw/zinc/05/77/08/1064057708.db2.gz IJUPTIZXAINPSW-QGZVFWFLSA-N 1 0 375.472 3.617 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C#N)[C@H](C)C2CC2)cc1 ZINC001459343292 1064068161 /nfs/dbraw/zinc/06/81/61/1064068161.db2.gz AIZBVYLVYADSHO-UTKZUKDTSA-N 1 0 380.488 3.607 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O ZINC001459396658 1064085246 /nfs/dbraw/zinc/08/52/46/1064085246.db2.gz SSWWCTQXTXSBII-BWPNAZKDSA-N 1 0 384.520 3.829 20 30 GHEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001459600707 1064138991 /nfs/dbraw/zinc/13/89/91/1064138991.db2.gz BPKMIGLOUHPUME-WBAXXEDZSA-N 1 0 389.565 3.699 20 30 GHEDRO COCC#CC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 ZINC001464208836 1064907512 /nfs/dbraw/zinc/90/75/12/1064907512.db2.gz WPPIHBVOJNCMOD-NRFANRHFSA-N 1 0 396.556 3.737 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001464548045 1065075052 /nfs/dbraw/zinc/07/50/52/1065075052.db2.gz QAHJIZZEBFWRGL-IBGZPJMESA-N 1 0 375.472 3.808 20 30 GHEDRO N#Cc1ccccc1NC1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC001352911873 1065445773 /nfs/dbraw/zinc/44/57/73/1065445773.db2.gz HMQUVMKWHYQNSL-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001465436114 1065611951 /nfs/dbraw/zinc/61/19/51/1065611951.db2.gz GKESFCCINLWZOD-UHFFFAOYSA-N 1 0 392.503 3.991 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)cc(OC)c1OC ZINC001200267443 1065773286 /nfs/dbraw/zinc/77/32/86/1065773286.db2.gz GBUTUFRAHRBFIL-UHFFFAOYSA-N 1 0 378.472 3.574 20 30 GHEDRO C=CCNC(=S)Nc1ccc(C(=O)OCC(C)(C)C[NH+](CC)CC)cc1 ZINC001200295152 1065843993 /nfs/dbraw/zinc/84/39/93/1065843993.db2.gz JJIVKLVRBZVDTN-UHFFFAOYSA-N 1 0 377.554 3.684 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001465779673 1065850104 /nfs/dbraw/zinc/85/01/04/1065850104.db2.gz PUTXIKPOIZIJBO-FQEVSTJZSA-N 1 0 395.478 3.966 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CC[NH+]1CCCCC1 ZINC001492564050 1065894416 /nfs/dbraw/zinc/89/44/16/1065894416.db2.gz UZSOHNRQXOPRKS-UHFFFAOYSA-N 1 0 392.551 3.870 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300291274 1065937203 /nfs/dbraw/zinc/93/72/03/1065937203.db2.gz CMECNKBKVVZNEI-OALUTQOASA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300294881 1065944744 /nfs/dbraw/zinc/94/47/44/1065944744.db2.gz ALUZMVFADJEWOK-AQNXPRMDSA-N 1 0 394.567 3.556 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300296162 1065946947 /nfs/dbraw/zinc/94/69/47/1065946947.db2.gz SYDLFXSAGUYVFP-IEBWSBKVSA-N 1 0 380.540 3.528 20 30 GHEDRO COCc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000847745339 1066012367 /nfs/dbraw/zinc/01/23/67/1066012367.db2.gz GZPAQFHPHZZNNZ-UHFFFAOYSA-N 1 0 378.472 3.796 20 30 GHEDRO CC(=O)c1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000847747397 1066021797 /nfs/dbraw/zinc/02/17/97/1066021797.db2.gz GUCMOUYEDUWGLD-UHFFFAOYSA-N 1 0 376.456 3.852 20 30 GHEDRO CCCCCCCCCNC(=S)N1CCN(CCC[NH+](CC)CC)CC1 ZINC001200376306 1066024921 /nfs/dbraw/zinc/02/49/21/1066024921.db2.gz YZCJMCMOAFJPHN-UHFFFAOYSA-N 1 0 384.678 3.961 20 30 GHEDRO N#CC1(COC(=O)[C@@H](F)Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748111 1066030647 /nfs/dbraw/zinc/03/06/47/1066030647.db2.gz XRTRJVWTQPLVTE-NRFANRHFSA-N 1 0 380.463 3.916 20 30 GHEDRO C#CCCCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001300353808 1066082143 /nfs/dbraw/zinc/08/21/43/1066082143.db2.gz PWQKFMXRJUJDJE-MOPGFXCFSA-N 1 0 395.551 3.676 20 30 GHEDRO C[C@@](O)(C[NH2+]Cc1cc(C#N)ccc1Br)c1ccc(F)cc1F ZINC001200469638 1066310266 /nfs/dbraw/zinc/31/02/66/1066310266.db2.gz BCWORHVQLKZCPJ-QGZVFWFLSA-N 1 0 381.220 3.596 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCC[N@H+]1CC ZINC001300430151 1066311055 /nfs/dbraw/zinc/31/10/55/1066311055.db2.gz IEVVFYGBAWLSAJ-ZWKOTPCHSA-N 1 0 399.514 3.501 20 30 GHEDRO COc1cc(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c(F)cc1C#N ZINC001467075678 1067051853 /nfs/dbraw/zinc/05/18/53/1067051853.db2.gz GHCILEUOFAYXMC-FQEVSTJZSA-N 1 0 398.482 3.984 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1cc(C)c(C#N)cn1)[NH+]1CCCCC1 ZINC001467113260 1067076538 /nfs/dbraw/zinc/07/65/38/1067076538.db2.gz YIKWFJDHTQZLGD-IBGZPJMESA-N 1 0 393.491 3.619 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC001467240307 1067172247 /nfs/dbraw/zinc/17/22/47/1067172247.db2.gz BVWAERGWPAGDDT-UHFFFAOYSA-N 1 0 381.455 3.710 20 30 GHEDRO CCCc1c(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cnn1-c1cccc(C#N)c1 ZINC001467253213 1067180765 /nfs/dbraw/zinc/18/07/65/1067180765.db2.gz KIYMJZNQUPQPQX-UWJYYQICSA-N 1 0 377.492 3.652 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)cc2)C1 ZINC001467311645 1067218805 /nfs/dbraw/zinc/21/88/05/1067218805.db2.gz KEXSTEJMKASIIO-YOEHRIQHSA-N 1 0 382.430 3.562 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358029538 1067370697 /nfs/dbraw/zinc/37/06/97/1067370697.db2.gz QFPHYFMJKLLOPY-KRWDZBQOSA-N 1 0 394.494 3.557 20 30 GHEDRO CC(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001358038465 1067374744 /nfs/dbraw/zinc/37/47/44/1067374744.db2.gz ZZSFUWVIHTXMAZ-JOCHJYFZSA-N 1 0 384.572 3.626 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC001467727476 1067439915 /nfs/dbraw/zinc/43/99/15/1067439915.db2.gz IEMKUUYPGZNOLW-AWEZNQCLSA-N 1 0 385.371 3.896 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC001467870903 1067508540 /nfs/dbraw/zinc/50/85/40/1067508540.db2.gz PPQBFFFNDUSUMR-LJQANCHMSA-N 1 0 385.552 3.531 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC001468014288 1067565186 /nfs/dbraw/zinc/56/51/86/1067565186.db2.gz VYIHYXYZQIPTNG-GFCCVEGCSA-N 1 0 386.298 3.933 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001358876259 1067590738 /nfs/dbraw/zinc/59/07/38/1067590738.db2.gz GGJWEAXLUIIDMA-RTBURBONSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001358879032 1067591984 /nfs/dbraw/zinc/59/19/84/1067591984.db2.gz JOUTWHKLMOBGGW-RXVVDRJESA-N 1 0 381.568 3.942 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)C)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001358891906 1067598808 /nfs/dbraw/zinc/59/88/08/1067598808.db2.gz OTUULJGDBCIOGI-PMACEKPBSA-N 1 0 381.568 3.845 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001358893711 1067600509 /nfs/dbraw/zinc/60/05/09/1067600509.db2.gz ZYEDEMCQKSLRLA-WIYYLYMNSA-N 1 0 397.542 3.730 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358893954 1067601150 /nfs/dbraw/zinc/60/11/50/1067601150.db2.gz FYLKJBHXXHEYRN-CEXWTWQISA-N 1 0 399.608 3.756 20 30 GHEDRO C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001358909503 1067607980 /nfs/dbraw/zinc/60/79/80/1067607980.db2.gz ICFQAONLTWVZCJ-UHFFFAOYSA-N 1 0 380.540 3.531 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001359003915 1067645432 /nfs/dbraw/zinc/64/54/32/1067645432.db2.gz BESCWWKVNRKFLU-FQEVSTJZSA-N 1 0 391.519 3.917 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCC[NH+](C(C)C)C(C)C ZINC001359068675 1067669973 /nfs/dbraw/zinc/66/99/73/1067669973.db2.gz JYXISHHNPIWRRA-HSZRJFAPSA-N 1 0 394.567 3.841 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCC1CC[NH+](CC)CC1 ZINC001359070918 1067671551 /nfs/dbraw/zinc/67/15/51/1067671551.db2.gz YAVZKMADWQOZJF-NZQKXSOJSA-N 1 0 399.583 3.634 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359116573 1067695347 /nfs/dbraw/zinc/69/53/47/1067695347.db2.gz QHGIXJQKCMSQIC-RTBURBONSA-N 1 0 375.561 3.652 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001359160703 1067716889 /nfs/dbraw/zinc/71/68/89/1067716889.db2.gz AMFKTJVSCUJXFV-SFHVURJKSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001359162170 1067717715 /nfs/dbraw/zinc/71/77/15/1067717715.db2.gz GMYSKGQQOWZRRC-GOSISDBHSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001359163554 1067718897 /nfs/dbraw/zinc/71/88/97/1067718897.db2.gz JOIXBXDTMXTCOP-IBGZPJMESA-N 1 0 394.567 3.927 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359169527 1067723081 /nfs/dbraw/zinc/72/30/81/1067723081.db2.gz LIJWVEXLQMJNRG-WOJBJXKFSA-N 1 0 381.524 3.589 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCCCC2)CC1 ZINC001359177420 1067737017 /nfs/dbraw/zinc/73/70/17/1067737017.db2.gz LTAKAUMCZVKUFE-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359215743 1067791426 /nfs/dbraw/zinc/79/14/26/1067791426.db2.gz IOOWZGTWCPJZNV-FQEVSTJZSA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359240113 1067848740 /nfs/dbraw/zinc/84/87/40/1067848740.db2.gz GJCCOUIGETUKNO-HKUYNNGSSA-N 1 0 383.540 3.534 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849505938 1067881334 /nfs/dbraw/zinc/88/13/34/1067881334.db2.gz KOXXQGMGWJVMOL-RTWAWAEBSA-N 1 0 398.526 3.588 20 30 GHEDRO C#Cc1cccc(N(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C(C)C)c1 ZINC000849543921 1067903047 /nfs/dbraw/zinc/90/30/47/1067903047.db2.gz GWBRCVFURCMTMX-GOTSBHOMSA-N 1 0 392.547 3.657 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC001359252320 1067904540 /nfs/dbraw/zinc/90/45/40/1067904540.db2.gz NDZCPZHHOKUMOJ-IBGZPJMESA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001468843339 1067907183 /nfs/dbraw/zinc/90/71/83/1067907183.db2.gz PCTJAPGPVJWWJH-NQIIRXRSSA-N 1 0 379.504 3.714 20 30 GHEDRO C=CC[C@@H]1N(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCCC1(C)C ZINC000849582243 1067913179 /nfs/dbraw/zinc/91/31/79/1067913179.db2.gz LUGCHBWOENZBFC-HBMCJLEFSA-N 1 0 386.584 3.827 20 30 GHEDRO CCOc1ccc(CN(CCC[NH+](C)C)C(=O)C#CC(C)(C)C)cc1OCC ZINC001468879353 1067916567 /nfs/dbraw/zinc/91/65/67/1067916567.db2.gz XKOFOEHZJZHPEQ-UHFFFAOYSA-N 1 0 388.552 3.814 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1F ZINC001477899746 1078617825 /nfs/dbraw/zinc/61/78/25/1078617825.db2.gz RPHQSMMKLKVESE-QRWLVFNGSA-N 1 0 387.886 3.973 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359269665 1067935356 /nfs/dbraw/zinc/93/53/56/1067935356.db2.gz KWINSRROZCCGRY-NRFANRHFSA-N 1 0 388.519 3.821 20 30 GHEDRO C=CCN(CCOC)c1nnc(C2CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359281130 1067952794 /nfs/dbraw/zinc/95/27/94/1067952794.db2.gz PGAHEZFACUYEGV-HDICACEKSA-N 1 0 389.588 3.551 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001477908037 1078622760 /nfs/dbraw/zinc/62/27/60/1078622760.db2.gz BJZSUDDCGPTOLW-SNRMKQJTSA-N 1 0 393.453 3.771 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001359311579 1068026206 /nfs/dbraw/zinc/02/62/06/1068026206.db2.gz DFYCUKFTOMSUSH-NHCUHLMSSA-N 1 0 397.567 3.794 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359475142 1068070544 /nfs/dbraw/zinc/07/05/44/1068070544.db2.gz DNPGRXJWENDKEV-MSOLQXFVSA-N 1 0 394.567 3.956 20 30 GHEDRO C=C(C)[C@@H](NC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(F)c1 ZINC001469855576 1068431247 /nfs/dbraw/zinc/43/12/47/1068431247.db2.gz FBEMIFHQVSOSNB-HXUWFJFHSA-N 1 0 386.446 3.945 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001360466367 1068517731 /nfs/dbraw/zinc/51/77/31/1068517731.db2.gz CBWRVWVRHUTJGE-QGZVFWFLSA-N 1 0 395.555 3.626 20 30 GHEDRO C#Cc1ccc(CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc1 ZINC001470230456 1068637233 /nfs/dbraw/zinc/63/72/33/1068637233.db2.gz JPQFRDWZMNGGMR-QHCPKHFHSA-N 1 0 377.532 3.969 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)o1 ZINC001460189431 1068847295 /nfs/dbraw/zinc/84/72/95/1068847295.db2.gz YIGQIQOUMATFOC-RDTXWAMCSA-N 1 0 375.266 3.859 20 30 GHEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccccc1C#N ZINC001460277358 1068903023 /nfs/dbraw/zinc/90/30/23/1068903023.db2.gz OKTZEZDWHGKIKN-LJQANCHMSA-N 1 0 392.421 3.881 20 30 GHEDRO C#C[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC001460312711 1068919947 /nfs/dbraw/zinc/91/99/47/1068919947.db2.gz YYHLBOQYXWVIBR-UGKGYDQZSA-N 1 0 385.511 3.761 20 30 GHEDRO OC1(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCCC1 ZINC001460874855 1069243016 /nfs/dbraw/zinc/24/30/16/1069243016.db2.gz IDFMVJODVXOUFG-AOOOYVTPSA-N 1 0 381.307 3.784 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC001478471829 1078882411 /nfs/dbraw/zinc/88/24/11/1078882411.db2.gz GDNFJPOLMZFESX-QRWLVFNGSA-N 1 0 386.446 3.897 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC001470415118 1072539332 /nfs/dbraw/zinc/53/93/32/1072539332.db2.gz LEPDKXYMZKNICY-JOCHJYFZSA-N 1 0 396.510 3.998 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC001470962353 1072850383 /nfs/dbraw/zinc/85/03/83/1072850383.db2.gz LWPVGYDZMWHETO-OAHLLOKOSA-N 1 0 397.693 3.946 20 30 GHEDRO C#C[C@@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccc(Cl)cc1 ZINC001478895765 1079018511 /nfs/dbraw/zinc/01/85/11/1079018511.db2.gz ICHXGXJMSSRIPO-FCEUIQTBSA-N 1 0 393.918 3.930 20 30 GHEDRO N#CC1(CNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)CCCC1 ZINC001478911284 1079023962 /nfs/dbraw/zinc/02/39/62/1079023962.db2.gz FBJPHHMAIMYAAK-UHFFFAOYSA-N 1 0 380.536 3.867 20 30 GHEDRO C=CC1(CC(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001471801119 1073221527 /nfs/dbraw/zinc/22/15/27/1073221527.db2.gz WHUFLZGZSGABPF-UHFFFAOYSA-N 1 0 393.572 3.618 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 ZINC001471938416 1073271223 /nfs/dbraw/zinc/27/12/23/1073271223.db2.gz MDIDANBRKYWQAP-UHFFFAOYSA-N 1 0 382.891 3.746 20 30 GHEDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC001472331686 1073427790 /nfs/dbraw/zinc/42/77/90/1073427790.db2.gz WEFQZMVMCPHILY-DOTOQJQBSA-N 1 0 390.325 3.656 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]([NH2+]C(C)C)c1ccc(OC)cc1 ZINC001472498023 1073514587 /nfs/dbraw/zinc/51/45/87/1073514587.db2.gz HTDHCJWUYRDSPN-QFIPXVFZSA-N 1 0 377.488 3.821 20 30 GHEDRO COc1cccc(N2CC[NH+](CCS[C@H](C#N)Cc3ccc(C)cc3)CC2)c1 ZINC001473085038 1073776474 /nfs/dbraw/zinc/77/64/74/1073776474.db2.gz DQCDDENBAIIOAT-QHCPKHFHSA-N 1 0 395.572 3.994 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]3Cc3ccc(F)cc3)C2=O)cc1 ZINC001473117695 1073788873 /nfs/dbraw/zinc/78/88/73/1073788873.db2.gz YHOPDBBLIPAYEO-YADHBBJMSA-N 1 0 377.463 3.900 20 30 GHEDRO C#CC[N@@H+](C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCc2ccccc21 ZINC001473122193 1073790075 /nfs/dbraw/zinc/79/00/75/1073790075.db2.gz SOBCLMZYNANDSB-FPOVZHCZSA-N 1 0 396.531 3.778 20 30 GHEDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001473251148 1073889230 /nfs/dbraw/zinc/88/92/30/1073889230.db2.gz KDDAFPNNJCKFDF-HSZRJFAPSA-N 1 0 396.487 3.967 20 30 GHEDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC001473485123 1073984743 /nfs/dbraw/zinc/98/47/43/1073984743.db2.gz VVNIKOPIUPIWSY-PGRDOPGGSA-N 1 0 386.540 3.823 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001473641233 1074062814 /nfs/dbraw/zinc/06/28/14/1074062814.db2.gz JEVVHAQXHCKVNZ-OAQYLSRUSA-N 1 0 399.332 3.947 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001473644285 1074063734 /nfs/dbraw/zinc/06/37/34/1074063734.db2.gz BUZSBUOAPHCEAN-DHIUTWEWSA-N 1 0 391.515 3.615 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCCO2 ZINC001473663720 1074073462 /nfs/dbraw/zinc/07/34/62/1074073462.db2.gz LJYJFXMSAGHPBE-IIBYNOLFSA-N 1 0 375.472 3.729 20 30 GHEDRO C[C@]1(Cc2cccc3ccccc32)CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC001473668359 1074074996 /nfs/dbraw/zinc/07/49/96/1074074996.db2.gz ISGGPRWWNDCJCX-XMMPIXPASA-N 1 0 388.515 3.893 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)CCCCC1 ZINC001473825296 1074161603 /nfs/dbraw/zinc/16/16/03/1074161603.db2.gz LSDFLTIRXRRCMT-UHFFFAOYSA-N 1 0 388.581 3.629 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC001479541324 1079225904 /nfs/dbraw/zinc/22/59/04/1079225904.db2.gz MKFSUXOJEQVXKG-QGZVFWFLSA-N 1 0 390.478 3.601 20 30 GHEDRO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CCCSCC#N)CC2 ZINC001473876971 1074187564 /nfs/dbraw/zinc/18/75/64/1074187564.db2.gz JOYYBSDNZNTBNN-KRWDZBQOSA-N 1 0 381.586 3.991 20 30 GHEDRO Cc1ccc(-c2ccccc2C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC001473998079 1074230404 /nfs/dbraw/zinc/23/04/04/1074230404.db2.gz ZLOVLVLQZTYCBQ-FCQUAONHSA-N 1 0 375.472 3.586 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC001474200864 1074291090 /nfs/dbraw/zinc/29/10/90/1074291090.db2.gz UOPNHMRQDULPPO-MSOLQXFVSA-N 1 0 388.508 3.978 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001474228926 1074301215 /nfs/dbraw/zinc/30/12/15/1074301215.db2.gz QQYZFVOHNNAPJD-UHFFFAOYSA-N 1 0 391.515 3.979 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)cc1OC ZINC001474273613 1074320074 /nfs/dbraw/zinc/32/00/74/1074320074.db2.gz VCAKUMZCFRMHDT-DKICVRJWSA-N 1 0 381.900 3.730 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC001474721486 1074533045 /nfs/dbraw/zinc/53/30/45/1074533045.db2.gz CAAOJHACICHMCM-CEXWTWQISA-N 1 0 399.539 3.523 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001493920307 1079309071 /nfs/dbraw/zinc/30/90/71/1079309071.db2.gz KTBKQVGMKAFGDO-SFHVURJKSA-N 1 0 378.524 3.539 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001476057062 1075077049 /nfs/dbraw/zinc/07/70/49/1075077049.db2.gz QYRAXLWSBNPXBO-UZLBHIALSA-N 1 0 391.475 3.836 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001476223744 1075106315 /nfs/dbraw/zinc/10/63/15/1075106315.db2.gz FSPZSOILBBEWER-QFIPXVFZSA-N 1 0 381.451 3.624 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001476317095 1075123675 /nfs/dbraw/zinc/12/36/75/1075123675.db2.gz ISWHCIVMDOHTMO-INIZCTEOSA-N 1 0 387.443 3.860 20 30 GHEDRO CC[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001497345365 1079493027 /nfs/dbraw/zinc/49/30/27/1079493027.db2.gz MWPNZOGHALIVOO-MJGOQNOKSA-N 1 0 398.530 3.621 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001501978074 1079628948 /nfs/dbraw/zinc/62/89/48/1079628948.db2.gz IWCGFCRWCKTZHE-GOSISDBHSA-N 1 0 380.540 3.805 20 30 GHEDRO C[C@@H]1C[C@H](CC[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000833594979 605165735 /nfs/dbraw/zinc/16/57/35/605165735.db2.gz HQKNFEIDCPOZNW-AGHHOFFYSA-N 1 0 377.488 3.574 20 30 GHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC(C)C)c(OC)c1 ZINC000823914924 608631982 /nfs/dbraw/zinc/63/19/82/608631982.db2.gz OWXIKQAOKIRXTQ-UHFFFAOYSA-N 1 0 393.491 3.851 20 30 GHEDRO CC1(C#N)CC[NH+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000824779434 609173735 /nfs/dbraw/zinc/17/37/35/609173735.db2.gz VICKABRITXEIND-UHFFFAOYSA-N 1 0 388.475 3.571 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825038735 609341280 /nfs/dbraw/zinc/34/12/80/609341280.db2.gz HDQIXBAXTSNQHR-BBRMVZONSA-N 1 0 380.427 3.538 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@@H]43)cc2c1Cl ZINC001164410449 718877910 /nfs/dbraw/zinc/87/79/10/718877910.db2.gz BNEDTRKAXHBWCQ-KGLIPLIRSA-N 1 0 383.229 3.899 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164627021 719043831 /nfs/dbraw/zinc/04/38/31/719043831.db2.gz UBKFTSKCHURDRN-LPHOPBHVSA-N 1 0 388.849 3.735 20 30 GHEDRO Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1C#N ZINC001164841888 720701697 /nfs/dbraw/zinc/70/16/97/720701697.db2.gz JWXSSIJGTYNOCW-NRFANRHFSA-N 1 0 376.504 3.522 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)CC2 ZINC001164786832 721447163 /nfs/dbraw/zinc/44/71/63/721447163.db2.gz NWEZCJIVLOBLHH-NRFANRHFSA-N 1 0 395.551 3.627 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164897057 721515341 /nfs/dbraw/zinc/51/53/41/721515341.db2.gz DKFJWMZCAOZNMC-UYAOXDASSA-N 1 0 380.467 3.558 20 30 GHEDRO Cc1ccc(CC#N)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911821 721726422 /nfs/dbraw/zinc/72/64/22/721726422.db2.gz KQITVXITGDBZAO-OAQYLSRUSA-N 1 0 397.473 3.589 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(Cl)c(C#N)n3)C[C@H]21 ZINC001165026629 721802825 /nfs/dbraw/zinc/80/28/25/721802825.db2.gz RQBIJAQNWBXMAT-WRWLIDTKSA-N 1 0 381.911 3.739 20 30 GHEDRO Cc1c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cccc1N(C)C ZINC000180112009 837394594 /nfs/dbraw/zinc/39/45/94/837394594.db2.gz SYSFXTHJLMCGCH-UHFFFAOYSA-N 1 0 391.519 3.673 20 30 GHEDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000580687148 837395130 /nfs/dbraw/zinc/39/51/30/837395130.db2.gz NRQGBJKNAHIQKI-SFHVURJKSA-N 1 0 381.476 3.677 20 30 GHEDRO CCOc1ccc(Br)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000176560373 837439770 /nfs/dbraw/zinc/43/97/70/837439770.db2.gz SXFMCKKLBWAKAB-UHFFFAOYSA-N 1 0 397.317 3.547 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000647553911 837531965 /nfs/dbraw/zinc/53/19/65/837531965.db2.gz MUVGZZBLSVBWAM-KRWDZBQOSA-N 1 0 395.341 3.787 20 30 GHEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000581921004 837749299 /nfs/dbraw/zinc/74/92/99/837749299.db2.gz ZBOWVELEXSFMIF-FQEVSTJZSA-N 1 0 393.878 3.754 20 30 GHEDRO N#CCCC1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579715697 834425130 /nfs/dbraw/zinc/42/51/30/834425130.db2.gz GAUJRFPHYJCKCG-HXUWFJFHSA-N 1 0 393.453 3.983 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000563882351 834543459 /nfs/dbraw/zinc/54/34/59/834543459.db2.gz JEDJPBGZPWHSLW-PGRDOPGGSA-N 1 0 388.515 3.993 20 30 GHEDRO C=CCC[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000583579876 834679030 /nfs/dbraw/zinc/67/90/30/834679030.db2.gz LZYDUYAORUQLDX-YADHBBJMSA-N 1 0 393.531 3.538 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)c2ccccc2)CC1 ZINC000329840689 834894570 /nfs/dbraw/zinc/89/45/70/834894570.db2.gz WMKQRAOKVZIWDH-OFNKIYASSA-N 1 0 398.551 3.816 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000611905605 834920438 /nfs/dbraw/zinc/92/04/38/834920438.db2.gz HWUBGBLRVWYEQY-QHCPKHFHSA-N 1 0 396.579 3.888 20 30 GHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000187009489 834964399 /nfs/dbraw/zinc/96/43/99/834964399.db2.gz KGCOSHXNWSJLMB-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cc(C#N)cs1 ZINC000430207904 835111410 /nfs/dbraw/zinc/11/14/10/835111410.db2.gz NROKXOJXFZXQFQ-UHFFFAOYSA-N 1 0 375.497 3.957 20 30 GHEDRO COc1c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)oc2ccccc21 ZINC000433330671 844021204 /nfs/dbraw/zinc/02/12/04/844021204.db2.gz CHQAWYVUBNWHJY-UHFFFAOYSA-N 1 0 387.443 3.903 20 30 GHEDRO C=CCn1c(CC2CCCC2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685551966 835158233 /nfs/dbraw/zinc/15/82/33/835158233.db2.gz KXGABPZTWBQGQS-SZPZYZBQSA-N 1 0 391.563 3.765 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000610215628 835171699 /nfs/dbraw/zinc/17/16/99/835171699.db2.gz XJXRTDDODLVNHU-UHFFFAOYSA-N 1 0 398.334 3.846 20 30 GHEDRO COc1cccc(CCC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000610215564 835174853 /nfs/dbraw/zinc/17/48/53/835174853.db2.gz ZFNXIIMGXXNSJG-UHFFFAOYSA-N 1 0 386.499 3.870 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(C#N)c1 ZINC000611966859 835178867 /nfs/dbraw/zinc/17/88/67/835178867.db2.gz AVMDRZUUGNKJKJ-JKSUJKDBSA-N 1 0 390.487 3.975 20 30 GHEDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000043646612 835183621 /nfs/dbraw/zinc/18/36/21/835183621.db2.gz LVUAPKKZZVKNFN-KRWDZBQOSA-N 1 0 378.394 3.643 20 30 GHEDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000579824640 835225016 /nfs/dbraw/zinc/22/50/16/835225016.db2.gz PJPOOCCQGKQNLA-ZDUSSCGKSA-N 1 0 397.327 3.860 20 30 GHEDRO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329605351 835344962 /nfs/dbraw/zinc/34/49/62/835344962.db2.gz HMCRWXADJPQBRT-DXJOGWAWSA-N 1 0 393.528 3.858 20 30 GHEDRO N#CCC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccccc1 ZINC000151315084 835373268 /nfs/dbraw/zinc/37/32/68/835373268.db2.gz NGYUFMRTWNUOPU-LJQANCHMSA-N 1 0 386.565 3.692 20 30 GHEDRO C[NH+](C)Cc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000584028923 835473350 /nfs/dbraw/zinc/47/33/50/835473350.db2.gz GDLXIJBTRUTCCD-UHFFFAOYSA-N 1 0 376.485 3.919 20 30 GHEDRO N#Cc1cc(Cl)ccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000584070306 835545025 /nfs/dbraw/zinc/54/50/25/835545025.db2.gz BKEKNRRXSTVUSX-OAQYLSRUSA-N 1 0 380.923 3.608 20 30 GHEDRO C=CCCC1(CNC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CCCC1 ZINC000658296116 835559921 /nfs/dbraw/zinc/55/99/21/835559921.db2.gz QRFLJCWHAVRNEP-LJQANCHMSA-N 1 0 399.535 3.653 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H](C#N)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000433376952 844072100 /nfs/dbraw/zinc/07/21/00/844072100.db2.gz LAKCVPPCPDEPHQ-PTUXOGIPSA-N 1 0 375.516 3.928 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611804971 835648878 /nfs/dbraw/zinc/64/88/78/835648878.db2.gz QSQZWGACCFOHML-SBUREZEXSA-N 1 0 389.499 3.513 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611804963 835649015 /nfs/dbraw/zinc/64/90/15/835649015.db2.gz QSQZWGACCFOHML-GAJHUEQPSA-N 1 0 389.499 3.513 20 30 GHEDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000091952205 835650475 /nfs/dbraw/zinc/65/04/75/835650475.db2.gz GNQSLMNXTQFNFB-UHFFFAOYSA-N 1 0 393.535 3.543 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 ZINC000433380668 844075403 /nfs/dbraw/zinc/07/54/03/844075403.db2.gz DOFAXZVLLOWSLD-GGAORHGYSA-N 1 0 391.515 3.721 20 30 GHEDRO N#CC1(CCC[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CCOCC1 ZINC000375599752 835818780 /nfs/dbraw/zinc/81/87/80/835818780.db2.gz VNPUUPVMUTYFOZ-INIZCTEOSA-N 1 0 383.414 3.654 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000573167521 835827170 /nfs/dbraw/zinc/82/71/70/835827170.db2.gz LICOLTMSYKMVAI-FQEVSTJZSA-N 1 0 399.498 3.719 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(C#N)cc1 ZINC000278712450 835861143 /nfs/dbraw/zinc/86/11/43/835861143.db2.gz LPLBHOCFNOJTGK-JOCHJYFZSA-N 1 0 379.504 3.510 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584320637 835875516 /nfs/dbraw/zinc/87/55/16/835875516.db2.gz FIYJLYNVRRYFIF-PMACEKPBSA-N 1 0 390.487 3.553 20 30 GHEDRO CC(C)OCCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000584322017 835877413 /nfs/dbraw/zinc/87/74/13/835877413.db2.gz XZWMNDBXLXSIQO-HNNXBMFYSA-N 1 0 377.554 3.963 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000179634590 835917743 /nfs/dbraw/zinc/91/77/43/835917743.db2.gz YIYUZTOZPUIELY-ZIAGYGMSSA-N 1 0 385.464 3.772 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 ZINC000179685857 835941294 /nfs/dbraw/zinc/94/12/94/835941294.db2.gz KNSBKOQMOFNSID-QGZVFWFLSA-N 1 0 386.455 3.822 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NCCC[NH+]3CCCCCC3)o2)cc1 ZINC000102783158 835946621 /nfs/dbraw/zinc/94/66/21/835946621.db2.gz BZNWPRHEUOLPIO-UHFFFAOYSA-N 1 0 381.476 3.726 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000102792520 835966629 /nfs/dbraw/zinc/96/66/29/835966629.db2.gz BLCBFHOSYBJMSW-UHFFFAOYSA-N 1 0 381.476 3.534 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000065881339 836105558 /nfs/dbraw/zinc/10/55/58/836105558.db2.gz QEWZZEJDESQFRG-UHFFFAOYSA-N 1 0 396.560 3.739 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173656964 836241809 /nfs/dbraw/zinc/24/18/09/836241809.db2.gz RZPNZEGLEAMGFD-IRLDBZIGSA-N 1 0 391.515 3.860 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cc(C#N)nc4ccccc43)cc2)C[C@H](C)O1 ZINC000610246199 836249957 /nfs/dbraw/zinc/24/99/57/836249957.db2.gz ORRDFMITLUGFJF-HDICACEKSA-N 1 0 386.499 3.750 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(F)cc1Cl ZINC000065931331 836253637 /nfs/dbraw/zinc/25/36/37/836253637.db2.gz CIUWLKMPYBYBRK-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO Cc1ccccc1OCCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930691 836254069 /nfs/dbraw/zinc/25/40/69/836254069.db2.gz OOYXVWQGHQBUGG-UHFFFAOYSA-N 1 0 379.504 3.616 20 30 GHEDRO Cc1ccc(C)c(SCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065931198 836256999 /nfs/dbraw/zinc/25/69/99/836256999.db2.gz LKYIJUNHONVXTM-UHFFFAOYSA-N 1 0 381.545 3.858 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000365289973 836336093 /nfs/dbraw/zinc/33/60/93/836336093.db2.gz HQNLFSLENLNDQY-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179940120 836408853 /nfs/dbraw/zinc/40/88/53/836408853.db2.gz FEAXQMDWCWPODG-UHFFFAOYSA-N 1 0 396.498 3.543 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N2CCCC2)o1 ZINC000180160407 836423818 /nfs/dbraw/zinc/42/38/18/836423818.db2.gz USETXRRRQVZWOW-NRFANRHFSA-N 1 0 389.503 3.787 20 30 GHEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccccc1C#N ZINC000290179745 836461031 /nfs/dbraw/zinc/46/10/31/836461031.db2.gz QRZINLPLELEFME-HRAATJIYSA-N 1 0 375.472 3.569 20 30 GHEDRO CN(C(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1)c1ccccc1 ZINC000430307261 836471060 /nfs/dbraw/zinc/47/10/60/836471060.db2.gz RNUOJOJAUZTZCT-KRWDZBQOSA-N 1 0 385.414 3.645 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000548951900 836548211 /nfs/dbraw/zinc/54/82/11/836548211.db2.gz SVZCHPURHARNCJ-LJQANCHMSA-N 1 0 388.519 3.744 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000179997479 836567642 /nfs/dbraw/zinc/56/76/42/836567642.db2.gz BETHNEBBNXWSLP-JTSKRJEESA-N 1 0 385.471 3.590 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175508054 836580931 /nfs/dbraw/zinc/58/09/31/836580931.db2.gz XHZFTTJOYMSILX-UYAOXDASSA-N 1 0 382.533 3.844 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000510171368 836613087 /nfs/dbraw/zinc/61/30/87/836613087.db2.gz XFIMYGHMCFIBAA-JUXOCIIHSA-N 1 0 380.488 3.780 20 30 GHEDRO COCC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000613503339 836620137 /nfs/dbraw/zinc/62/01/37/836620137.db2.gz KSDLOAPPPOUWJD-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452019581 836628176 /nfs/dbraw/zinc/62/81/76/836628176.db2.gz FKSLCAFQNVCACP-RBUKOAKNSA-N 1 0 389.421 3.687 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc(OC)c1O ZINC000513057875 844186699 /nfs/dbraw/zinc/18/66/99/844186699.db2.gz PATMWPIYFGUXPF-OAQYLSRUSA-N 1 0 394.515 3.914 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)CCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510185263 836679927 /nfs/dbraw/zinc/67/99/27/836679927.db2.gz NCHMDEPDGFKOAG-WMZHIEFXSA-N 1 0 375.516 3.908 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ncccc1OCCCC#N ZINC000188689035 844196631 /nfs/dbraw/zinc/19/66/31/844196631.db2.gz KUTFFPYURILKEF-UHFFFAOYSA-N 1 0 395.507 3.796 20 30 GHEDRO CCc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)cc1 ZINC000180026900 836752686 /nfs/dbraw/zinc/75/26/86/836752686.db2.gz XHZPNQIVXRYDCF-HSZRJFAPSA-N 1 0 387.531 3.914 20 30 GHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000247116253 836857987 /nfs/dbraw/zinc/85/79/87/836857987.db2.gz UGIWFBXYEWSGOH-XMSQKQJNSA-N 1 0 380.561 3.687 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cscc3C(F)(F)F)C2=O)cc1 ZINC000579895041 836876045 /nfs/dbraw/zinc/87/60/45/836876045.db2.gz DAQIHMYOHHDQIV-MRXNPFEDSA-N 1 0 379.407 3.529 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000247122831 836888495 /nfs/dbraw/zinc/88/84/95/836888495.db2.gz UVYNSXMLSUBIKE-DHIUTWEWSA-N 1 0 388.515 3.754 20 30 GHEDRO CN(C)c1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c2ccccc2n1 ZINC000180270294 836915981 /nfs/dbraw/zinc/91/59/81/836915981.db2.gz OQGDWZNPMZUASV-UHFFFAOYSA-N 1 0 396.498 3.863 20 30 GHEDRO CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000431717915 837095136 /nfs/dbraw/zinc/09/51/36/837095136.db2.gz HNQKSHMYLCYEPD-IRLDBZIGSA-N 1 0 392.503 3.668 20 30 GHEDRO CC[C@H](NC(=O)Nc1cccc(C#N)c1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000431717917 837095230 /nfs/dbraw/zinc/09/52/30/837095230.db2.gz HNQKSHMYLCYEPD-UNMCSNQZSA-N 1 0 392.503 3.668 20 30 GHEDRO CN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000376168868 837132689 /nfs/dbraw/zinc/13/26/89/837132689.db2.gz YPGCXTDLEJXOTN-ZEQRLZLVSA-N 1 0 392.522 3.697 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@H]2CCCO2)c1 ZINC000028782051 837150844 /nfs/dbraw/zinc/15/08/44/837150844.db2.gz CQZHPDBXWMFUME-LJQANCHMSA-O 1 0 383.537 3.607 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472494197 837159032 /nfs/dbraw/zinc/15/90/32/837159032.db2.gz FDQMBRXPWKIAJC-QPXQOZNCSA-N 1 0 391.515 3.598 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2CC[NH2+]CC[C@@H]2F)c(Br)c1 ZINC001218015069 837213772 /nfs/dbraw/zinc/21/37/72/837213772.db2.gz JIDFKRMULYUQHE-NWDGAFQWSA-N 1 0 392.066 3.552 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000610270780 837318942 /nfs/dbraw/zinc/31/89/42/837318942.db2.gz WMHCBYNNMLADPJ-SFHVURJKSA-N 1 0 383.458 3.998 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3Oc3ccccc3C#N)CC[C@@H]21 ZINC000182306787 844260024 /nfs/dbraw/zinc/26/00/24/844260024.db2.gz WQXXVEILSNFSDZ-ICSRJNTNSA-N 1 0 375.472 3.907 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CC[C@H](Cc2ccncc2)C1)c1cccc(Cl)c1 ZINC000613179169 837371606 /nfs/dbraw/zinc/37/16/06/837371606.db2.gz OKBMRXZJSGNWRT-GOSISDBHSA-N 1 0 382.895 3.546 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000472844788 837836271 /nfs/dbraw/zinc/83/62/71/837836271.db2.gz DBXGVYISCFONRA-UHFFFAOYSA-N 1 0 379.504 3.600 20 30 GHEDRO CC(C)CN1CCO[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236799823 837912998 /nfs/dbraw/zinc/91/29/98/837912998.db2.gz SWBJCEFDSMKTSA-XMMPIXPASA-N 1 0 393.531 3.584 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000177481814 837963145 /nfs/dbraw/zinc/96/31/45/837963145.db2.gz VLHMQYHXIKZFNH-RTWAWAEBSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000415704539 838005572 /nfs/dbraw/zinc/00/55/72/838005572.db2.gz SECPIUSPMCTUIK-CRAIPNDOSA-N 1 0 394.523 3.633 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000415807712 838124006 /nfs/dbraw/zinc/12/40/06/838124006.db2.gz RGFYFMYUSPWTMH-JSGCOSHPSA-N 1 0 382.302 3.605 20 30 GHEDRO COC[C@]1(CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCC[NH2+]1 ZINC000415801247 838125110 /nfs/dbraw/zinc/12/51/10/838125110.db2.gz GEXJILAGGHNPGT-OAQYLSRUSA-N 1 0 396.516 3.600 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415808396 838136944 /nfs/dbraw/zinc/13/69/44/838136944.db2.gz SKTNHYZNLLACOQ-ZDUSSCGKSA-N 1 0 382.302 3.607 20 30 GHEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000659304340 838234061 /nfs/dbraw/zinc/23/40/61/838234061.db2.gz BDBHDSNRMNLYFD-MWLCHTKSSA-N 1 0 386.311 3.785 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1)C(C)C ZINC000177946557 838244406 /nfs/dbraw/zinc/24/44/06/838244406.db2.gz PEKKRLMENRBNHN-FQEVSTJZSA-N 1 0 386.540 3.517 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[N@@H+]1C ZINC000610320037 838405202 /nfs/dbraw/zinc/40/52/02/838405202.db2.gz OHKXAUNFPCOJSZ-YJBOKZPZSA-N 1 0 379.464 3.692 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[N@@H+]1C ZINC000610320998 838426460 /nfs/dbraw/zinc/42/64/60/838426460.db2.gz BFBGZZXDICXSMP-QAPCUYQASA-N 1 0 379.464 3.692 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000162307720 838448644 /nfs/dbraw/zinc/44/86/44/838448644.db2.gz QKWFHOPLCYEMKN-QRWLVFNGSA-N 1 0 379.508 3.664 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000584556194 838454628 /nfs/dbraw/zinc/45/46/28/838454628.db2.gz RQFZAYCZUXAQDY-NRFANRHFSA-N 1 0 393.522 3.895 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(C#N)cc3OC)CCN2C2CC2)c1 ZINC000549114072 838569174 /nfs/dbraw/zinc/56/91/74/838569174.db2.gz PZSJKSAWSDXRBK-GGAORHGYSA-N 1 0 377.488 3.643 20 30 GHEDRO C=CCOCCCC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378195588 838608575 /nfs/dbraw/zinc/60/85/75/838608575.db2.gz COZOAWRXNICPLP-FQEVSTJZSA-N 1 0 382.508 3.560 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(C#N)cc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000378196006 838609373 /nfs/dbraw/zinc/60/93/73/838609373.db2.gz GTROZRAQQDYINV-OAQYLSRUSA-N 1 0 385.471 3.763 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000613696630 838654531 /nfs/dbraw/zinc/65/45/31/838654531.db2.gz LAGIKHVAZQCQPG-UHFFFAOYSA-N 1 0 379.504 3.641 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000236631404 838878781 /nfs/dbraw/zinc/87/87/81/838878781.db2.gz WPOLVHNPZNHHAG-UHFFFAOYSA-N 1 0 389.293 3.534 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)o2)c1 ZINC000580106704 838879131 /nfs/dbraw/zinc/87/91/31/838879131.db2.gz FCIIPGKGXVETTJ-QHAWAJNXSA-N 1 0 386.455 3.613 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000049982049 838966052 /nfs/dbraw/zinc/96/60/52/838966052.db2.gz HFUWIPCBLRFVFX-INIZCTEOSA-N 1 0 388.943 3.737 20 30 GHEDRO COc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1OCC[NH+](C)C ZINC000416334665 838982679 /nfs/dbraw/zinc/98/26/79/838982679.db2.gz QWPDFIDHZBKIOS-GOSISDBHSA-N 1 0 381.476 3.662 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C#N)c(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000134166087 839092190 /nfs/dbraw/zinc/09/21/90/839092190.db2.gz OBPFAUPTVUFGQO-LEWJYISDSA-N 1 0 395.890 3.928 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000579498893 839099755 /nfs/dbraw/zinc/09/97/55/839099755.db2.gz PMMDHBNBGTZXOF-WIYYLYMNSA-N 1 0 389.421 3.909 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)Nc1cc(C)cc(C)c1 ZINC000172580173 839110380 /nfs/dbraw/zinc/11/03/80/839110380.db2.gz ULIDOYADSMYPLG-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000150688590 839113301 /nfs/dbraw/zinc/11/33/01/839113301.db2.gz ICXMWBNHWXVVLO-AVRDEDQJSA-N 1 0 391.515 3.742 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000050091553 839158014 /nfs/dbraw/zinc/15/80/14/839158014.db2.gz VPFOJRVCGKXNRE-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000458178188 844406617 /nfs/dbraw/zinc/40/66/17/844406617.db2.gz WDLIZYJOHLMHHJ-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000415077870 839167354 /nfs/dbraw/zinc/16/73/54/839167354.db2.gz FTQXRGMUFFGHMM-UHFFFAOYSA-N 1 0 392.459 3.790 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415084837 839173342 /nfs/dbraw/zinc/17/33/42/839173342.db2.gz PAIOLNXEDBNGQR-WBVHZDCISA-N 1 0 394.475 3.808 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000415080057 839175363 /nfs/dbraw/zinc/17/53/63/839175363.db2.gz IQZHZEYDNYLRLK-HOCLYGCPSA-N 1 0 380.448 3.560 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000050107779 839184401 /nfs/dbraw/zinc/18/44/01/839184401.db2.gz HUGQSMHBJQSHCJ-UHFFFAOYSA-N 1 0 378.476 3.874 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000458165531 844410871 /nfs/dbraw/zinc/41/08/71/844410871.db2.gz LAMWWFVKVCBRJW-IBGZPJMESA-N 1 0 377.488 3.599 20 30 GHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000415113225 839221960 /nfs/dbraw/zinc/22/19/60/839221960.db2.gz BRKVCNMXTLAQPG-IBGZPJMESA-N 1 0 378.476 3.661 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000549833612 844415848 /nfs/dbraw/zinc/41/58/48/844415848.db2.gz SHDHXGQYUVMCEN-OAHLLOKOSA-N 1 0 377.423 3.562 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415129616 839254257 /nfs/dbraw/zinc/25/42/57/839254257.db2.gz VEILCUIYTXKIAT-IERDGZPVSA-N 1 0 378.476 3.565 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000579627327 839517222 /nfs/dbraw/zinc/51/72/22/839517222.db2.gz VSAGYGGWEHTAIH-QVKFZJNVSA-N 1 0 383.517 3.537 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000416698521 839547973 /nfs/dbraw/zinc/54/79/73/839547973.db2.gz WIRNGNRPAPGKBK-LJQANCHMSA-N 1 0 377.479 3.722 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175814774 839626611 /nfs/dbraw/zinc/62/66/11/839626611.db2.gz HCIJZAXDWSTOMD-HUUCEWRRSA-N 1 0 375.519 3.598 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000580543206 839776521 /nfs/dbraw/zinc/77/65/21/839776521.db2.gz QNQVBLGMZRFVII-MJGOQNOKSA-N 1 0 396.384 3.915 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)cc(F)c1OC)CC2 ZINC001143551886 844478694 /nfs/dbraw/zinc/47/86/94/844478694.db2.gz MDYPGZWAPVENNF-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc2c(ccc3ccccc23)o1 ZINC000588386247 840004060 /nfs/dbraw/zinc/00/40/60/840004060.db2.gz JFIIFQIVJPDMIC-CTBAPTLKSA-N 1 0 375.428 3.763 20 30 GHEDRO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cc(F)cc(C#N)c1 ZINC000579844369 840138748 /nfs/dbraw/zinc/13/87/48/840138748.db2.gz WVWFLHGAGRHNOI-BGYRXZFFSA-N 1 0 391.490 3.565 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000278835475 840150200 /nfs/dbraw/zinc/15/02/00/840150200.db2.gz ALCANTWULNCNFY-WOJBJXKFSA-N 1 0 379.508 3.638 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000660408301 840194193 /nfs/dbraw/zinc/19/41/93/840194193.db2.gz IIZITGRVAWMOMZ-ZRZAMGCNSA-N 1 0 396.579 3.790 20 30 GHEDRO CCS[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000175871086 840251512 /nfs/dbraw/zinc/25/15/12/840251512.db2.gz HOLQYOJNSPWPQG-WOJBJXKFSA-N 1 0 388.581 3.696 20 30 GHEDRO CCN(CC)c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cn1 ZINC000160652006 840306882 /nfs/dbraw/zinc/30/68/82/840306882.db2.gz DATYRDWDZAQETL-UHFFFAOYSA-N 1 0 381.402 3.753 20 30 GHEDRO CC(C)(C)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000580916622 840426680 /nfs/dbraw/zinc/42/66/80/840426680.db2.gz XSXYYIFBQJECOW-GOSISDBHSA-N 1 0 389.496 3.633 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)CC1 ZINC000433522342 844539433 /nfs/dbraw/zinc/53/94/33/844539433.db2.gz RNMJMDAZXCTDGP-UHFFFAOYSA-N 1 0 397.954 3.755 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000432041948 840567328 /nfs/dbraw/zinc/56/73/28/840567328.db2.gz NEMMQIOPEMNGJO-UHFFFAOYSA-N 1 0 376.504 3.540 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581044562 840630588 /nfs/dbraw/zinc/63/05/88/840630588.db2.gz NSOLFSVUCWLUIO-QZTJIDSGSA-N 1 0 386.421 3.930 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000613750296 840648015 /nfs/dbraw/zinc/64/80/15/840648015.db2.gz XOKUWRFPVFNUQX-SFHVURJKSA-N 1 0 386.442 3.650 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3cc(C#N)oc3C)n2)cc1OC ZINC000573482048 844567565 /nfs/dbraw/zinc/56/75/65/844567565.db2.gz CDFSSNORJJNPBS-UHFFFAOYSA-N 1 0 396.447 3.906 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000124301696 840871669 /nfs/dbraw/zinc/87/16/69/840871669.db2.gz VABQTIUSUWPKEI-ZBFHGGJFSA-N 1 0 384.314 3.663 20 30 GHEDRO CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245582748 844590341 /nfs/dbraw/zinc/59/03/41/844590341.db2.gz KDWOBHBRNAIBPS-FCHUYYIVSA-N 1 0 397.567 3.554 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000573558115 844593076 /nfs/dbraw/zinc/59/30/76/844593076.db2.gz PCIUJLLQNRWIGR-MJGOQNOKSA-N 1 0 388.920 3.911 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)N2CCOCC2)o1 ZINC000581339745 841106433 /nfs/dbraw/zinc/10/64/33/841106433.db2.gz MFXMSKSQGINVNV-GOSISDBHSA-N 1 0 393.409 3.642 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000573620933 844610294 /nfs/dbraw/zinc/61/02/94/844610294.db2.gz RXELBMLRDNZIRM-UHFFFAOYSA-N 1 0 384.911 3.699 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000162471559 841188496 /nfs/dbraw/zinc/18/84/96/841188496.db2.gz UWDOCXOBRIXNPN-UYAOXDASSA-N 1 0 388.556 3.756 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478827 841197357 /nfs/dbraw/zinc/19/73/57/841197357.db2.gz ZVTYHPYAYHFJSB-DQLDELGASA-N 1 0 391.506 3.667 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000660296600 841235556 /nfs/dbraw/zinc/23/55/56/841235556.db2.gz QKJLQDAAAHZKJB-HSZRJFAPSA-N 1 0 387.527 3.640 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000027183516 841349301 /nfs/dbraw/zinc/34/93/01/841349301.db2.gz GAFKKKPGVQOPIN-UHFFFAOYSA-O 1 0 393.488 3.526 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000510425458 841394866 /nfs/dbraw/zinc/39/48/66/841394866.db2.gz NZLIYQVZRRRKQR-UHFFFAOYSA-N 1 0 393.531 3.666 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000661115456 841410878 /nfs/dbraw/zinc/41/08/78/841410878.db2.gz CKMMWHRPBJTLJG-UKRRQHHQSA-N 1 0 376.302 3.649 20 30 GHEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599430199 861202796 /nfs/dbraw/zinc/20/27/96/861202796.db2.gz PBAPUPKBBRXNET-JTHBVZDNSA-N 1 0 394.515 3.640 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CCC[NH2+]1 ZINC000662716494 841468050 /nfs/dbraw/zinc/46/80/50/841468050.db2.gz UHNWLAGCGKOLTO-QFIPXVFZSA-N 1 0 376.460 3.550 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000593351552 841482291 /nfs/dbraw/zinc/48/22/91/841482291.db2.gz LTGLTMQIJKGNKW-UHFFFAOYSA-N 1 0 384.483 3.508 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CC[N@@H+](C)C[C@@H]3C(C)C)c(=S)o2)cc1 ZINC000160914653 841497655 /nfs/dbraw/zinc/49/76/55/841497655.db2.gz YOZXHPZROCHFQW-GOSISDBHSA-N 1 0 388.537 3.667 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000329265381 861220426 /nfs/dbraw/zinc/22/04/26/861220426.db2.gz CGAGJYXNGRNMDM-IBGZPJMESA-N 1 0 393.940 3.957 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)C1 ZINC000661380676 841685214 /nfs/dbraw/zinc/68/52/14/841685214.db2.gz IKBHZZJPYCXNJE-CQSZACIVSA-N 1 0 383.414 3.890 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CCC[NH2+]1 ZINC000662812100 841689116 /nfs/dbraw/zinc/68/91/16/841689116.db2.gz QHHGWJLWDKFKDN-HBUWYVDXSA-N 1 0 381.289 3.649 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccccc1 ZINC000027479941 841718277 /nfs/dbraw/zinc/71/82/77/841718277.db2.gz NPOJBRBSUCKPNK-UHFFFAOYSA-O 1 0 381.493 3.534 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1cccc(C)c1 ZINC000027479075 841718378 /nfs/dbraw/zinc/71/83/78/841718378.db2.gz BPAKQCJBQNBDQN-UHFFFAOYSA-O 1 0 376.571 3.509 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000474866709 861240820 /nfs/dbraw/zinc/24/08/20/861240820.db2.gz FIVGLJKRMQRFMW-UHFFFAOYSA-N 1 0 390.531 3.878 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2ccc(C#N)cc2Cl)CC1 ZINC000053611391 841872454 /nfs/dbraw/zinc/87/24/54/841872454.db2.gz ZOJPUTGHGFDAIS-UHFFFAOYSA-N 1 0 397.906 3.633 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c(OC)c1 ZINC000604394701 842003501 /nfs/dbraw/zinc/00/35/01/842003501.db2.gz WXFMCQNYSAZWMH-LEWJYISDSA-N 1 0 399.556 3.954 20 30 GHEDRO C=CCN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H](C)COC ZINC000663516022 842068849 /nfs/dbraw/zinc/06/88/49/842068849.db2.gz KOOKZLIDJOQCTE-INIZCTEOSA-N 1 0 379.932 3.537 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNC(=O)c2ccccc2)c1 ZINC000066905619 842089170 /nfs/dbraw/zinc/08/91/70/842089170.db2.gz STNBDJMACOQXTK-UHFFFAOYSA-N 1 0 385.467 3.657 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(CC3(c4ccccc4F)CC[NH2+]CC3)n2)c1 ZINC001211518175 842111813 /nfs/dbraw/zinc/11/18/13/842111813.db2.gz UHPHTCQRWXPQHP-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000843676293 842154225 /nfs/dbraw/zinc/15/42/25/842154225.db2.gz ZZCBKBMMORZZHN-PXNSSMCTSA-N 1 0 378.438 3.703 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCOC1 ZINC000603854755 861277541 /nfs/dbraw/zinc/27/75/41/861277541.db2.gz QORFLDQCINGWTI-OAHLLOKOSA-N 1 0 375.538 3.576 20 30 GHEDRO CC[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1cccc(C(F)(F)F)c1 ZINC000432374641 842247174 /nfs/dbraw/zinc/24/71/74/842247174.db2.gz SXGLFVSOMJCNLP-SJLPKXTDSA-N 1 0 391.393 3.551 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCCC[C@H]2CCO)c1C#N ZINC000585754837 842262080 /nfs/dbraw/zinc/26/20/80/842262080.db2.gz FISCHYHLAMLHLW-IBGZPJMESA-N 1 0 394.519 3.531 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C(F)(F)F)o1 ZINC000471744928 842328715 /nfs/dbraw/zinc/32/87/15/842328715.db2.gz OAQJVQSJEPTSJS-UHFFFAOYSA-N 1 0 379.382 3.683 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC3(CCCC3=O)CC2)sc2c1CCCC2 ZINC000661950680 842386874 /nfs/dbraw/zinc/38/68/74/842386874.db2.gz CHAQYSQIFNYKRS-UHFFFAOYSA-N 1 0 385.533 3.662 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1)C1CC1 ZINC000466940331 842450146 /nfs/dbraw/zinc/45/01/46/842450146.db2.gz OJMCDCRCTQEHNE-ZHRRBRCNSA-N 1 0 381.545 3.964 20 30 GHEDRO C[C@@H]1CN([C@H](C[NH2+]Cc2ccc(C#N)s2)c2c(F)cccc2Cl)CCO1 ZINC000247408983 842511730 /nfs/dbraw/zinc/51/17/30/842511730.db2.gz YNQCVARXMQSDRR-FZKQIMNGSA-N 1 0 393.915 3.964 20 30 GHEDRO CC(C)C[C@H]([NH3+])[C@H](O)Cc1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC001211685312 842668498 /nfs/dbraw/zinc/66/84/98/842668498.db2.gz VDBUSESMBZPSRE-VQTJNVASSA-N 1 0 376.460 3.552 20 30 GHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CC[NH+]1CCCCC1 ZINC000652564832 842754305 /nfs/dbraw/zinc/75/43/05/842754305.db2.gz MTQANHYGFPWERO-SFTDATJTSA-N 1 0 395.551 3.631 20 30 GHEDRO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000599572452 861347183 /nfs/dbraw/zinc/34/71/83/861347183.db2.gz BOQJBTPOYWEKGM-GOEBONIOSA-N 1 0 381.314 3.895 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000329377200 861348686 /nfs/dbraw/zinc/34/86/86/861348686.db2.gz LYDACUKUNGPQBX-HBMCJLEFSA-N 1 0 389.515 3.645 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329377843 861350777 /nfs/dbraw/zinc/35/07/77/861350777.db2.gz MEXMVLNGBSJJPA-OALUTQOASA-N 1 0 385.556 3.732 20 30 GHEDRO O=C(Nc1cccc2c1OCCC2=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000329388127 861363330 /nfs/dbraw/zinc/36/33/30/861363330.db2.gz RFQWHSZZTLJCHN-UHFFFAOYSA-N 1 0 385.508 3.785 20 30 GHEDRO N#Cc1ccc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(F)c1 ZINC000510596445 843015321 /nfs/dbraw/zinc/01/53/21/843015321.db2.gz JWBQGLRCLODLCP-OAQYLSRUSA-N 1 0 379.479 3.801 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000067010924 843017424 /nfs/dbraw/zinc/01/74/24/843017424.db2.gz FHVIUKCGHZSPFH-UHFFFAOYSA-N 1 0 382.895 3.930 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)no1 ZINC000329398491 861374606 /nfs/dbraw/zinc/37/46/06/861374606.db2.gz VHGHTJNARCBDDU-KXBFYZLASA-N 1 0 383.496 3.655 20 30 GHEDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000512215260 843105063 /nfs/dbraw/zinc/10/50/63/843105063.db2.gz ZTSITHXNHQQYFD-DNVCBOLYSA-N 1 0 394.544 3.507 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000430921108 843188426 /nfs/dbraw/zinc/18/84/26/843188426.db2.gz RWSQYGPEKMPUML-QFIPXVFZSA-N 1 0 377.488 3.611 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCn2cncc2C1 ZINC000328960079 843207507 /nfs/dbraw/zinc/20/75/07/843207507.db2.gz PJFQPYZJLXFRIN-DOTOQJQBSA-N 1 0 392.425 3.695 20 30 GHEDRO CC(C)[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1nc(C2CC2)no1 ZINC000329418012 861392833 /nfs/dbraw/zinc/39/28/33/861392833.db2.gz ZPLQZSXKDUKBGU-HOTGVXAUSA-N 1 0 378.542 3.818 20 30 GHEDRO C#Cc1ccc(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)nc1 ZINC000728862319 843237801 /nfs/dbraw/zinc/23/78/01/843237801.db2.gz BIYSKRGBPGFESE-LJQANCHMSA-N 1 0 389.421 3.895 20 30 GHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000131443435 861399020 /nfs/dbraw/zinc/39/90/20/861399020.db2.gz SFGQQVUREZIESR-UHFFFAOYSA-N 1 0 389.908 3.917 20 30 GHEDRO CC(C)N(C(=O)Cc1ccccc1CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843695598 843289542 /nfs/dbraw/zinc/28/95/42/843289542.db2.gz GKEBUMGUWKPTGS-HSZRJFAPSA-N 1 0 375.516 3.807 20 30 GHEDRO Cc1cc(Br)ccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000261607208 843352779 /nfs/dbraw/zinc/35/27/79/843352779.db2.gz DUZLDPNUQQGVMK-UHFFFAOYSA-N 1 0 390.281 3.846 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[NH2+]1 ZINC000662562559 843405891 /nfs/dbraw/zinc/40/58/91/843405891.db2.gz OSMAKCXYZFZDIE-CABZTGNLSA-N 1 0 386.311 3.846 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)CCC[NH2+]1 ZINC000662573210 843415093 /nfs/dbraw/zinc/41/50/93/843415093.db2.gz RJVNMFNJOAVFEK-INIZCTEOSA-N 1 0 380.926 3.980 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000510769299 843451040 /nfs/dbraw/zinc/45/10/40/843451040.db2.gz VMYXGKLLJLOQSO-ZIAGYGMSSA-N 1 0 398.429 3.741 20 30 GHEDRO N#CCSc1cccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000431038094 843487122 /nfs/dbraw/zinc/48/71/22/843487122.db2.gz MLBGORKQIWSIPR-UHFFFAOYSA-N 1 0 391.540 3.965 20 30 GHEDRO CCCCNC(=O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000178887666 861428782 /nfs/dbraw/zinc/42/87/82/861428782.db2.gz JXRFILOWAAHSGZ-UHFFFAOYSA-N 1 0 382.426 3.565 20 30 GHEDRO CN(C(=O)C[N@H+](C)CCCOc1ccc(Cl)cc1)C1(C#N)CCCCC1 ZINC000603867365 843573897 /nfs/dbraw/zinc/57/38/97/843573897.db2.gz TVZMHIBBVLINDI-UHFFFAOYSA-N 1 0 377.916 3.726 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000329442439 861437172 /nfs/dbraw/zinc/43/71/72/861437172.db2.gz NFTOGQCBSVTQHB-SJORKVTESA-N 1 0 385.508 3.681 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000549669612 843803799 /nfs/dbraw/zinc/80/37/99/843803799.db2.gz IUIYLGBKKQVFQJ-UHFFFAOYSA-N 1 0 390.535 3.847 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738845 843806746 /nfs/dbraw/zinc/80/67/46/843806746.db2.gz MFDPERALHDXJMT-FVRICEFQSA-N 1 0 395.547 3.827 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000512824400 843811175 /nfs/dbraw/zinc/81/11/75/843811175.db2.gz RSKRJBAOFRRBQF-UHFFFAOYSA-N 1 0 385.395 3.528 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)c1cc(C)cc(C)c1 ZINC000669334992 843855631 /nfs/dbraw/zinc/85/56/31/843855631.db2.gz HOVIRLISCDAHKO-QUCCMNQESA-N 1 0 381.524 3.775 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000731115061 861475809 /nfs/dbraw/zinc/47/58/09/861475809.db2.gz VMZDBGGYWJPZKJ-FQEVSTJZSA-N 1 0 377.488 3.732 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(Br)cc2)c(-c2ccncc2)n1 ZINC000433313794 844001199 /nfs/dbraw/zinc/00/11/99/844001199.db2.gz RUTWMFPERKMQKJ-UHFFFAOYSA-N 1 0 396.292 3.911 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000067210266 844008851 /nfs/dbraw/zinc/00/88/51/844008851.db2.gz IZSKDOULLDZDEX-UHFFFAOYSA-N 1 0 387.483 3.615 20 30 GHEDRO O=[N+]([O-])c1cc(C=[NH+]NCCCOc2ccccc2)ccc1N1CCCCC1 ZINC000729148063 844749503 /nfs/dbraw/zinc/74/95/03/844749503.db2.gz RFXHSNKWGPSETQ-UHFFFAOYSA-N 1 0 382.464 3.978 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000534464646 844826911 /nfs/dbraw/zinc/82/69/11/844826911.db2.gz BAPDSJXFKNKILN-UHFFFAOYSA-N 1 0 380.323 3.704 20 30 GHEDRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000512632624 844840236 /nfs/dbraw/zinc/84/02/36/844840236.db2.gz DQKQLWNOGKNMGN-UHFFFAOYSA-N 1 0 389.459 3.701 20 30 GHEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000731211161 861505804 /nfs/dbraw/zinc/50/58/04/861505804.db2.gz AOBVIJNYSQPKJY-MOPGFXCFSA-N 1 0 377.271 3.986 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000512646806 844874000 /nfs/dbraw/zinc/87/40/00/844874000.db2.gz DHTQNCIMCRGFBQ-MGPUTAFESA-N 1 0 383.467 3.966 20 30 GHEDRO N#CCCC[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433021781 844989051 /nfs/dbraw/zinc/98/90/51/844989051.db2.gz YLKJMYHVBLGMCZ-SFHVURJKSA-N 1 0 394.431 3.918 20 30 GHEDRO CC(C)(CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000067141668 844990695 /nfs/dbraw/zinc/99/06/95/844990695.db2.gz DFINCSUJMGEDJL-UHFFFAOYSA-N 1 0 375.516 3.960 20 30 GHEDRO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1C ZINC000433035487 845005955 /nfs/dbraw/zinc/00/59/55/845005955.db2.gz MOCADVSJEBYTMN-HXUWFJFHSA-N 1 0 378.476 3.976 20 30 GHEDRO COC[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000599682402 861523130 /nfs/dbraw/zinc/52/31/30/861523130.db2.gz JBHKDRZUFRXGCL-VGOFRKELSA-N 1 0 377.488 3.911 20 30 GHEDRO CCOC(=O)CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000610997712 845088543 /nfs/dbraw/zinc/08/85/43/845088543.db2.gz BXNUCXBSORIVDV-UHFFFAOYSA-N 1 0 391.899 3.596 20 30 GHEDRO CCOC(=O)CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000610997278 845113518 /nfs/dbraw/zinc/11/35/18/845113518.db2.gz VBGXYYZBQGMBPK-AWEZNQCLSA-N 1 0 391.899 3.594 20 30 GHEDRO N=C(Nc1cnc(N=C(c2ccccc2)c2ccccc2)nc1)SCC[NH3+] ZINC001167916849 845186882 /nfs/dbraw/zinc/18/68/82/845186882.db2.gz YNQRDBFKFGWIMN-UHFFFAOYSA-N 1 0 376.489 3.684 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1)N1CCC2(C1)CCOCC2 ZINC000262366655 845350649 /nfs/dbraw/zinc/35/06/49/845350649.db2.gz HWMTXHNNTVVKFT-VXKWHMMOSA-N 1 0 399.579 3.931 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000611559902 845376244 /nfs/dbraw/zinc/37/62/44/845376244.db2.gz JIAPMZTYDNNWCG-PZJWPPBQSA-N 1 0 387.462 3.938 20 30 GHEDRO C[N@H+](CCOc1ccccc1F)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000014079376 845490218 /nfs/dbraw/zinc/49/02/18/845490218.db2.gz XCUZSJNSTQQELI-UHFFFAOYSA-N 1 0 387.480 3.587 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[N@@H+](C2CCC2)C1 ZINC000433141968 845494738 /nfs/dbraw/zinc/49/47/38/845494738.db2.gz QZVSHBZPASKIDG-LJQANCHMSA-N 1 0 388.515 3.820 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2C#N)[NH+]2CCCC2)cc1 ZINC000067180253 845529407 /nfs/dbraw/zinc/52/94/07/845529407.db2.gz XANQXMLRPZNFDL-KCQSEKJDSA-N 1 0 375.472 3.533 20 30 GHEDRO C=C(C)[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000433882972 845530386 /nfs/dbraw/zinc/53/03/86/845530386.db2.gz CBDWIAZGPIDNGQ-IBGZPJMESA-N 1 0 380.460 3.622 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000600311636 861579603 /nfs/dbraw/zinc/57/96/03/861579603.db2.gz BRYGXEUGPAHQDX-INIZCTEOSA-N 1 0 381.451 3.951 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513521277 845572875 /nfs/dbraw/zinc/57/28/75/845572875.db2.gz NGIDZGHQQJWPQU-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000429120645 861594765 /nfs/dbraw/zinc/59/47/65/861594765.db2.gz BJWHKCPPAFJRSC-SFHVURJKSA-N 1 0 377.488 3.833 20 30 GHEDRO COc1ccc(C[NH2+]CCc2ccc(NC(C)=O)cc2)cc1OCCCC#N ZINC000103346687 845709396 /nfs/dbraw/zinc/70/93/96/845709396.db2.gz BQCQYAOLYGRWPR-UHFFFAOYSA-N 1 0 381.476 3.668 20 30 GHEDRO C=CCOc1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1Cl ZINC000513666753 846213912 /nfs/dbraw/zinc/21/39/12/846213912.db2.gz NSKLUMRLGVFISK-IBGZPJMESA-N 1 0 377.960 3.507 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183145178 846403544 /nfs/dbraw/zinc/40/35/44/846403544.db2.gz RTVDCRGVJGXKAA-UHFFFAOYSA-N 1 0 397.426 3.501 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000421684949 846465264 /nfs/dbraw/zinc/46/52/64/846465264.db2.gz MGRWWITUXMNBNJ-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000014515231 846517032 /nfs/dbraw/zinc/51/70/32/846517032.db2.gz AHLMNGWRCOTACT-XLIONFOSSA-N 1 0 397.544 3.976 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[NH+](C)C ZINC000511087584 846560034 /nfs/dbraw/zinc/56/00/34/846560034.db2.gz ZEEFQWIFJMJUEL-NRFANRHFSA-N 1 0 379.504 3.843 20 30 GHEDRO CCC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000179665952 861692863 /nfs/dbraw/zinc/69/28/63/861692863.db2.gz RDSYBJXVXOSXBF-WOJBJXKFSA-N 1 0 396.560 3.588 20 30 GHEDRO COc1cc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000501080669 846623140 /nfs/dbraw/zinc/62/31/40/846623140.db2.gz OFPJIULSDLDPOG-LAUBAEHRSA-N 1 0 380.488 3.881 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000684795377 846654070 /nfs/dbraw/zinc/65/40/70/846654070.db2.gz JJVKJIYGSUOHBR-KCSJKLDESA-N 1 0 397.563 3.568 20 30 GHEDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000513707618 846661660 /nfs/dbraw/zinc/66/16/60/846661660.db2.gz GKDWBRPISJNIFU-GOSISDBHSA-N 1 0 390.531 3.845 20 30 GHEDRO CC(C)c1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960603 861727740 /nfs/dbraw/zinc/72/77/40/861727740.db2.gz HVQUDHKJNMSOSF-UHFFFAOYSA-N 1 0 390.531 3.828 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1cccc(Cl)c1 ZINC000271799011 846922105 /nfs/dbraw/zinc/92/21/05/846922105.db2.gz OTNWPSSVGNESQF-HXUWFJFHSA-N 1 0 385.895 3.690 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1CCC#N ZINC000272015749 846970739 /nfs/dbraw/zinc/97/07/39/846970739.db2.gz BLBYIEZXGRAYSD-FXAWDEMLSA-N 1 0 394.523 3.622 20 30 GHEDRO CCCCCn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(C)n1 ZINC000478327493 847050018 /nfs/dbraw/zinc/05/00/18/847050018.db2.gz XZBKVJPDMDMEQO-UHFFFAOYSA-N 1 0 376.508 3.944 20 30 GHEDRO CC1(C#N)CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000272410165 847071296 /nfs/dbraw/zinc/07/12/96/847071296.db2.gz BUXONTHCWHAHHB-UHFFFAOYSA-N 1 0 388.943 3.887 20 30 GHEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000478440078 847078926 /nfs/dbraw/zinc/07/89/26/847078926.db2.gz URGAJYUAZDGRGI-IBGZPJMESA-N 1 0 376.909 3.972 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000501785520 847182579 /nfs/dbraw/zinc/18/25/79/847182579.db2.gz LMYRJWOJFURZGL-ZWKOTPCHSA-N 1 0 387.487 3.703 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c(OC)c1 ZINC000127719550 847354391 /nfs/dbraw/zinc/35/43/91/847354391.db2.gz VANCPCCIBMCIOP-DLBZAZTESA-N 1 0 381.476 3.690 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178590566 847405522 /nfs/dbraw/zinc/40/55/22/847405522.db2.gz AVUKLJJTJCYBCI-MSOLQXFVSA-N 1 0 398.551 3.621 20 30 GHEDRO COC(=O)CC1([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)CCOCC1 ZINC000277651152 847428552 /nfs/dbraw/zinc/42/85/52/847428552.db2.gz IEVZNSQGDZVCHO-UHFFFAOYSA-N 1 0 392.499 3.588 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C#N)s1 ZINC000422219358 847477372 /nfs/dbraw/zinc/47/73/72/847477372.db2.gz NZZALSLGTRUFHG-UHFFFAOYSA-N 1 0 376.913 3.547 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000582526371 847498553 /nfs/dbraw/zinc/49/85/53/847498553.db2.gz YIWNMMKTXIBUHP-WOJBJXKFSA-N 1 0 389.455 3.619 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC3(CC[NH2+]3)CC2)cc1OCC ZINC000422561730 847692623 /nfs/dbraw/zinc/69/26/23/847692623.db2.gz NAKRAQZRTRDGRT-UHFFFAOYSA-N 1 0 395.341 3.741 20 30 GHEDRO CCCc1c(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)cnn1-c1cccc(C#N)c1 ZINC000562084508 847735100 /nfs/dbraw/zinc/73/51/00/847735100.db2.gz SZFDXRYOAKOMJT-MRXNPFEDSA-N 1 0 382.512 3.547 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1F ZINC000421347976 847968212 /nfs/dbraw/zinc/96/82/12/847968212.db2.gz VMLKSKKJUNGTJV-MRXNPFEDSA-N 1 0 391.368 3.607 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C[NH+]1CCCCC1 ZINC000604185942 861909248 /nfs/dbraw/zinc/90/92/48/861909248.db2.gz YEWHYBFBGQGWLI-IBGZPJMESA-N 1 0 391.515 3.989 20 30 GHEDRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000120375749 848559150 /nfs/dbraw/zinc/55/91/50/848559150.db2.gz JMENDDGTAWFHBZ-UHFFFAOYSA-N 1 0 388.471 3.695 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC000180042010 861919506 /nfs/dbraw/zinc/91/95/06/861919506.db2.gz YZXZPCXILGMEOF-QHCPKHFHSA-N 1 0 393.531 3.754 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000628173915 848591392 /nfs/dbraw/zinc/59/13/92/848591392.db2.gz PWNQKTUHPLLCSJ-QGZVFWFLSA-N 1 0 392.927 3.748 20 30 GHEDRO COc1ccc(C[NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1C#N ZINC000176762393 848934381 /nfs/dbraw/zinc/93/43/81/848934381.db2.gz KCNSJKQYOUFOMI-UHFFFAOYSA-N 1 0 387.867 3.656 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)NCCC[NH+]3CCCC3)cc2F)c1 ZINC000481656660 861961359 /nfs/dbraw/zinc/96/13/59/861961359.db2.gz KEODHZFCDWKJSS-UHFFFAOYSA-N 1 0 396.466 3.884 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)[C@@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000481672867 861981807 /nfs/dbraw/zinc/98/18/07/861981807.db2.gz GEPDRQQZRWBHDK-UXHICEINSA-N 1 0 377.573 3.796 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000176461745 849198779 /nfs/dbraw/zinc/19/87/79/849198779.db2.gz DOGYRFDMLCGHQX-RTBURBONSA-N 1 0 378.520 3.824 20 30 GHEDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000503937506 849784179 /nfs/dbraw/zinc/78/41/79/849784179.db2.gz SJKHFZYGEQAQKA-HXUWFJFHSA-N 1 0 392.459 3.875 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)nn1-c1cccc(C#N)c1 ZINC000504073402 849881162 /nfs/dbraw/zinc/88/11/62/849881162.db2.gz SEYDPPIQSKTSHD-QFIPXVFZSA-N 1 0 393.535 3.539 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000504421168 850066659 /nfs/dbraw/zinc/06/66/59/850066659.db2.gz DUEPELGTXABLPJ-UTKZUKDTSA-N 1 0 379.504 3.551 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000282693129 850083487 /nfs/dbraw/zinc/08/34/87/850083487.db2.gz IQCIURBEUBAEAC-JOCHJYFZSA-N 1 0 391.515 3.548 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)cc1C#N ZINC000435151957 850128926 /nfs/dbraw/zinc/12/89/26/850128926.db2.gz OKXITTPOUOHBIP-IBGZPJMESA-N 1 0 381.455 3.611 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000604362072 862094611 /nfs/dbraw/zinc/09/46/11/862094611.db2.gz FWJINPAAZPTDTN-SJORKVTESA-N 1 0 393.491 3.987 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000569574455 850157644 /nfs/dbraw/zinc/15/76/44/850157644.db2.gz ASYFFHFJLQCDPK-CYBMUJFWSA-N 1 0 376.913 3.833 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000505624605 850192555 /nfs/dbraw/zinc/19/25/55/850192555.db2.gz XOLJSBCVAHKFLK-WIYYLYMNSA-N 1 0 391.515 3.523 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424122938 850237786 /nfs/dbraw/zinc/23/77/86/850237786.db2.gz JKEXBKCEHABQFN-IEBWSBKVSA-N 1 0 383.565 3.743 20 30 GHEDRO CCC1(CC)CN(C(=O)[C@@H]([NH3+])CCCC#N)c2ccc(Br)cc21 ZINC000424145488 850247749 /nfs/dbraw/zinc/24/77/49/850247749.db2.gz YWIVNFLWCKYANO-HNNXBMFYSA-N 1 0 378.314 3.875 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000424133212 850258921 /nfs/dbraw/zinc/25/89/21/850258921.db2.gz YXTZOOMACZUAGQ-ICSRJNTNSA-N 1 0 397.592 3.991 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000506649714 850270979 /nfs/dbraw/zinc/27/09/79/850270979.db2.gz UGNZLGPCXYZPMG-UHFFFAOYSA-N 1 0 389.499 3.628 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000424231038 850301006 /nfs/dbraw/zinc/30/10/06/850301006.db2.gz ASPWOEYJOFGPDJ-XDNAFOTISA-N 1 0 375.586 3.589 20 30 GHEDRO C=CC[C@H]1N(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CCCC1(C)C ZINC000435295798 850339442 /nfs/dbraw/zinc/33/94/42/850339442.db2.gz CKWVWSMGMGTOIG-RBUKOAKNSA-N 1 0 399.535 3.604 20 30 GHEDRO Cc1cc(C)c(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000506679212 850382200 /nfs/dbraw/zinc/38/22/00/850382200.db2.gz RRVGDEFJKLKZMZ-UHFFFAOYSA-N 1 0 392.547 3.799 20 30 GHEDRO C=CC[C@H](CO)NC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000514889751 850436662 /nfs/dbraw/zinc/43/66/62/850436662.db2.gz BXVGRAJUJXOJCL-NHCUHLMSSA-N 1 0 389.540 3.525 20 30 GHEDRO C=CCOc1ccc(CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435422088 850501413 /nfs/dbraw/zinc/50/14/13/850501413.db2.gz MOGUKCJYNVKCRO-FQEVSTJZSA-N 1 0 399.560 3.861 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000505034687 850548788 /nfs/dbraw/zinc/54/87/88/850548788.db2.gz GJDNSINZUWWSGF-UHFFFAOYSA-N 1 0 384.568 3.687 20 30 GHEDRO C=CCC1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CCOCC1 ZINC000424670474 850626895 /nfs/dbraw/zinc/62/68/95/850626895.db2.gz ZVNIXANVGOZUOB-UHFFFAOYSA-N 1 0 399.535 3.813 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000435565105 850650203 /nfs/dbraw/zinc/65/02/03/850650203.db2.gz JQUFHXXUOLPOPK-HXUWFJFHSA-N 1 0 378.476 3.741 20 30 GHEDRO COC(=O)[C@H](CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000425393899 850664889 /nfs/dbraw/zinc/66/48/89/850664889.db2.gz JQUOQDZJTOYNEJ-JOCHJYFZSA-N 1 0 378.472 3.748 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000515130860 850719316 /nfs/dbraw/zinc/71/93/16/850719316.db2.gz RISSCSKCJJLISX-IEIRFRATSA-N 1 0 380.536 3.766 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000425407923 850842860 /nfs/dbraw/zinc/84/28/60/850842860.db2.gz SGULTBVPRPVCNS-LJQANCHMSA-N 1 0 390.531 3.968 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)c1cccc(OC)c1 ZINC000174837308 850965586 /nfs/dbraw/zinc/96/55/86/850965586.db2.gz HBYTYCZQMIYZFN-NRFANRHFSA-N 1 0 398.482 3.588 20 30 GHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)C3(c4cccc(C#N)c4)CC3)sc2C1 ZINC000425087230 851193429 /nfs/dbraw/zinc/19/34/29/851193429.db2.gz UQGSFKZKPLJEHQ-UHFFFAOYSA-N 1 0 380.517 3.842 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@@H+](C)C(C)C)cc1C ZINC000150256354 851257082 /nfs/dbraw/zinc/25/70/82/851257082.db2.gz GEKGKPVVUVANIK-UHFFFAOYSA-N 1 0 381.524 3.541 20 30 GHEDRO C[C@]1(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO[C@H]1C1CC1 ZINC000329726883 862241413 /nfs/dbraw/zinc/24/14/13/862241413.db2.gz DZRRSBNYYGUDKP-VPLHEMTKSA-N 1 0 383.536 3.643 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521425 862241762 /nfs/dbraw/zinc/24/17/62/862241762.db2.gz JDRYRPNHFYJIJL-REWPJTCUSA-N 1 0 377.488 3.987 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000515782910 851473290 /nfs/dbraw/zinc/47/32/90/851473290.db2.gz WYFATCBSIRABDU-CYBMUJFWSA-N 1 0 391.313 3.659 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc2ccccc21 ZINC000604493177 862252917 /nfs/dbraw/zinc/25/29/17/862252917.db2.gz OAIPDRPSBDIXDU-QFIPXVFZSA-N 1 0 390.483 3.600 20 30 GHEDRO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000515841838 851550675 /nfs/dbraw/zinc/55/06/75/851550675.db2.gz DRTMBVNBUKBZSY-UHFFFAOYSA-N 1 0 389.565 3.532 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000508450535 862255634 /nfs/dbraw/zinc/25/56/34/862255634.db2.gz ZJMRPORNJAFMTD-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436390425 851551331 /nfs/dbraw/zinc/55/13/31/851551331.db2.gz PDMHCPFBYBDIEL-SFHVURJKSA-N 1 0 390.491 3.549 20 30 GHEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604501437 862259435 /nfs/dbraw/zinc/25/94/35/862259435.db2.gz TWJVQISJNLMZAK-WMZHIEFXSA-N 1 0 380.488 3.510 20 30 GHEDRO COc1ccc(OCCN(C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000488597185 851652139 /nfs/dbraw/zinc/65/21/39/851652139.db2.gz ZIRLWYGPYQYZJX-CQSZACIVSA-N 1 0 387.867 3.558 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1C ZINC000604552730 862274539 /nfs/dbraw/zinc/27/45/39/862274539.db2.gz SNBPTUSIGSOOQG-GOSISDBHSA-N 1 0 393.535 3.541 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC#Cc2ccccc2)C1 ZINC000061660841 862277472 /nfs/dbraw/zinc/27/74/72/862277472.db2.gz XUYLWTXYWJKKCX-HXUWFJFHSA-N 1 0 375.516 3.769 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000488798147 851790093 /nfs/dbraw/zinc/79/00/93/851790093.db2.gz IWMQRDBHZBJFDT-GOSISDBHSA-N 1 0 379.957 3.866 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489045481 851964370 /nfs/dbraw/zinc/96/43/70/851964370.db2.gz SBVHTXPOQNWQIC-FQEVSTJZSA-N 1 0 389.503 3.878 20 30 GHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000732466851 862305308 /nfs/dbraw/zinc/30/53/08/862305308.db2.gz QIHRNFAUQADAAT-FGZHOGPDSA-N 1 0 392.503 3.574 20 30 GHEDRO Cc1ccc(-n2cc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)cn2)c(C)c1 ZINC000329775154 862313603 /nfs/dbraw/zinc/31/36/03/862313603.db2.gz MWJPZWOQSZGNQX-UHFFFAOYSA-N 1 0 381.524 3.985 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000438185595 852115848 /nfs/dbraw/zinc/11/58/48/852115848.db2.gz MSMDZIPUKIDFFT-UHFFFAOYSA-N 1 0 382.464 3.821 20 30 GHEDRO C[C@H](CSc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000517651648 852207000 /nfs/dbraw/zinc/20/70/00/852207000.db2.gz QNKLOAYTVDWMSK-GOSISDBHSA-N 1 0 381.545 3.877 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000329804931 862333285 /nfs/dbraw/zinc/33/32/85/862333285.db2.gz KLFFXVUNUUUUNG-HSZRJFAPSA-N 1 0 398.551 3.775 20 30 GHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NCCc1c(F)cccc1F ZINC000329807540 862335347 /nfs/dbraw/zinc/33/53/47/862335347.db2.gz LRMSLFAFQKPDSI-PWIZWCRZSA-N 1 0 380.479 3.869 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000481829003 862337240 /nfs/dbraw/zinc/33/72/40/862337240.db2.gz DOFXNICNFGPPPR-DBVUQKKJSA-N 1 0 397.519 3.862 20 30 GHEDRO C=CCc1cc(C[NH+]2CCN(Cc3cc(C)ccc3OC)CC2)c(O)c(OC)c1 ZINC000732525880 862336416 /nfs/dbraw/zinc/33/64/16/862336416.db2.gz ZEJBXWWDFSEGDV-UHFFFAOYSA-N 1 0 396.531 3.764 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2cccc(OC)c2CC1 ZINC000489535395 852426166 /nfs/dbraw/zinc/42/61/66/852426166.db2.gz WAJSSEQNOCAVGT-KRWDZBQOSA-N 1 0 384.545 3.761 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489557704 852441399 /nfs/dbraw/zinc/44/13/99/852441399.db2.gz CTWFHHRQBUYGSU-DENIHFKCSA-N 1 0 393.531 3.961 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)c1 ZINC000425645131 852450126 /nfs/dbraw/zinc/45/01/26/852450126.db2.gz OEFDULFTGKHLJM-HRAATJIYSA-N 1 0 380.492 3.572 20 30 GHEDRO C[C@@H]1CCc2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)sc2C1 ZINC000506246558 852459307 /nfs/dbraw/zinc/45/93/07/852459307.db2.gz HAJKLBPZNWJHBU-QGZVFWFLSA-N 1 0 380.561 3.847 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1OCCc2ccccc21 ZINC000507235447 852695408 /nfs/dbraw/zinc/69/54/08/852695408.db2.gz RVHUGKWPPWHTEF-OJVVUCGNSA-N 1 0 383.536 3.552 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(OC(F)F)c1 ZINC000490002651 852698730 /nfs/dbraw/zinc/69/87/30/852698730.db2.gz YBOCBRBXIBJLCQ-MRXNPFEDSA-N 1 0 383.402 3.582 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3sc(=Nc4ccccc4)[nH]c3s2)CC1 ZINC000517982435 852699681 /nfs/dbraw/zinc/69/96/81/852699681.db2.gz QBXKTUGSCBKSLG-UHFFFAOYSA-N 1 0 398.557 3.904 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000505961201 852712954 /nfs/dbraw/zinc/71/29/54/852712954.db2.gz VHQJVRAPAATGTB-QGZVFWFLSA-N 1 0 392.503 3.914 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCCC[C@H]2CC[NH3+])cc1OC ZINC000490085989 852763108 /nfs/dbraw/zinc/76/31/08/852763108.db2.gz FONUDDAFWFPENK-HNNXBMFYSA-N 1 0 383.330 3.726 20 30 GHEDRO C=CC[C@H]1N(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC=C)CCCC1(C)C ZINC000669032659 852764855 /nfs/dbraw/zinc/76/48/55/852764855.db2.gz QQOTWWNDWBGVNN-CEXWTWQISA-N 1 0 385.556 3.571 20 30 GHEDRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)C1CCC(=O)CC1 ZINC000329881013 862394119 /nfs/dbraw/zinc/39/41/19/862394119.db2.gz AIOHGVDODLNNHA-UHFFFAOYSA-N 1 0 378.900 3.899 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507337404 852804398 /nfs/dbraw/zinc/80/43/98/852804398.db2.gz BWQQCHQOPHSFNW-SFHVURJKSA-N 1 0 398.551 3.622 20 30 GHEDRO C=C(C)Cn1c(SCc2nc(C3([NH3+])CCCC3)no2)nnc1-c1ccco1 ZINC000516649960 852839352 /nfs/dbraw/zinc/83/93/52/852839352.db2.gz FZIKUDVXXFDLDB-UHFFFAOYSA-N 1 0 386.481 3.518 20 30 GHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000505992738 852864848 /nfs/dbraw/zinc/86/48/48/852864848.db2.gz RLTMNHOWGGPPAP-UHFFFAOYSA-N 1 0 389.286 3.869 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O ZINC000426160291 852866104 /nfs/dbraw/zinc/86/61/04/852866104.db2.gz JKJQJPPLFSMHPQ-APWZRJJASA-N 1 0 397.494 3.991 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)C1 ZINC000329894476 862403512 /nfs/dbraw/zinc/40/35/12/862403512.db2.gz BJZIVPVLOBXVBR-INIZCTEOSA-N 1 0 377.554 3.821 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000507422589 852901198 /nfs/dbraw/zinc/90/11/98/852901198.db2.gz BYMWFRISACCISA-HTAPYJJXSA-N 1 0 385.471 3.590 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000507486153 852966078 /nfs/dbraw/zinc/96/60/78/852966078.db2.gz ONTCPOZDQNYCDL-CVEARBPZSA-N 1 0 383.517 3.975 20 30 GHEDRO C[C@]1(CNC(=O)CSCc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000490522995 853072658 /nfs/dbraw/zinc/07/26/58/853072658.db2.gz WQMJJXYXJDSIKA-HSZRJFAPSA-N 1 0 393.556 3.962 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2c(F)cccc2C#N)cc1 ZINC000506480472 853261402 /nfs/dbraw/zinc/26/14/02/853261402.db2.gz KERNYJGUHQVZEV-QGZVFWFLSA-N 1 0 379.479 3.931 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473883976 853326248 /nfs/dbraw/zinc/32/62/48/853326248.db2.gz HQQCKVBOELDYOM-GCJKJVERSA-N 1 0 376.504 3.925 20 30 GHEDRO Cc1nccnc1N1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000440534689 853352347 /nfs/dbraw/zinc/35/23/47/853352347.db2.gz UAKOYCUEGOZNMB-UHFFFAOYSA-N 1 0 397.526 3.807 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000437642961 853353904 /nfs/dbraw/zinc/35/39/04/853353904.db2.gz ASVMKCBIYUCERD-LBVMUVSTSA-N 1 0 399.579 3.945 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000437642964 853354346 /nfs/dbraw/zinc/35/43/46/853354346.db2.gz ASVMKCBIYUCERD-NNLJWKLDSA-N 1 0 399.579 3.945 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000517095031 853356036 /nfs/dbraw/zinc/35/60/36/853356036.db2.gz JOAAHMCECQBRSX-QHCPKHFHSA-N 1 0 390.531 3.680 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)CC1 ZINC000518508519 853443358 /nfs/dbraw/zinc/44/33/58/853443358.db2.gz VOHORAYLCRFRSY-UHFFFAOYSA-N 1 0 376.460 3.578 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000519860681 853533811 /nfs/dbraw/zinc/53/38/11/853533811.db2.gz YNBNJKNSOWRQIX-UHFFFAOYSA-N 1 0 393.384 3.843 20 30 GHEDRO CCSCc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000054852255 853562195 /nfs/dbraw/zinc/56/21/95/853562195.db2.gz JMOYPQGHDVDCTA-UHFFFAOYSA-N 1 0 379.529 3.769 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)CCCCCC1 ZINC000329984886 862479101 /nfs/dbraw/zinc/47/91/01/862479101.db2.gz QROIQFBEHCTWKL-KRWDZBQOSA-N 1 0 389.544 3.695 20 30 GHEDRO Cc1ccc(CCC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000519907871 853597949 /nfs/dbraw/zinc/59/79/49/853597949.db2.gz MHLOUCBHBPSZTD-UHFFFAOYSA-N 1 0 375.516 3.828 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000163918340 853627177 /nfs/dbraw/zinc/62/71/77/853627177.db2.gz QMEYFTWMYIZAPN-UHFFFAOYSA-N 1 0 398.478 3.617 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430622 853644464 /nfs/dbraw/zinc/64/44/64/853644464.db2.gz MTJJBBHFIKMOGJ-OAHLLOKOSA-N 1 0 387.833 3.834 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044566433 853661384 /nfs/dbraw/zinc/66/13/84/853661384.db2.gz KLLLIPBMEDBBFB-QZTJIDSGSA-N 1 0 381.442 3.817 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000188092886 853676151 /nfs/dbraw/zinc/67/61/51/853676151.db2.gz GQJQRIDFVKDKRS-UHFFFAOYSA-N 1 0 399.432 3.826 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732797172 862499486 /nfs/dbraw/zinc/49/94/86/862499486.db2.gz NCSWFUYRFLNCTR-KRWDZBQOSA-N 1 0 384.549 3.749 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)c(O)c(OC)c1 ZINC000164277335 853802436 /nfs/dbraw/zinc/80/24/36/853802436.db2.gz WPFVSPYJLDFBOI-UHFFFAOYSA-N 1 0 398.503 3.734 20 30 GHEDRO COC(=O)c1ccc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c(C#N)n1 ZINC000571298331 853833107 /nfs/dbraw/zinc/83/31/07/853833107.db2.gz VNRKXIIVUIAQNB-LJQANCHMSA-N 1 0 384.867 3.642 20 30 GHEDRO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000441065842 853866704 /nfs/dbraw/zinc/86/67/04/853866704.db2.gz RPQGELINYAECJV-YWWLGCSWSA-N 1 0 387.527 3.874 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2(C#N)CCCCC2)[C@H]1c1cccs1 ZINC000330018166 862510484 /nfs/dbraw/zinc/51/04/84/862510484.db2.gz SIBCKUZDWBFEEI-AEFFLSMTSA-N 1 0 395.594 3.524 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000520258286 853995051 /nfs/dbraw/zinc/99/50/51/853995051.db2.gz JCCYWFRZZFLHEG-FQEVSTJZSA-N 1 0 395.551 3.806 20 30 GHEDRO CCCC[N@H+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000520267059 854016403 /nfs/dbraw/zinc/01/64/03/854016403.db2.gz RHSYYZLPIJPUAN-UHFFFAOYSA-N 1 0 377.554 3.966 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ncc(Br)s3)CC2)nc1 ZINC000543875330 854135732 /nfs/dbraw/zinc/13/57/32/854135732.db2.gz UQOXLYSCKVSWHX-UHFFFAOYSA-N 1 0 393.310 3.652 20 30 GHEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000441386003 854168474 /nfs/dbraw/zinc/16/84/74/854168474.db2.gz PAPDBIPVEXWQES-PGRDOPGGSA-N 1 0 387.487 3.730 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nc3ccccc3s2)c(OC)c1 ZINC000550328508 854214377 /nfs/dbraw/zinc/21/43/77/854214377.db2.gz UAGVNRMNIHJYTO-INIZCTEOSA-N 1 0 384.501 3.563 20 30 GHEDRO CN1Cc2ccccc2[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000588315325 854285267 /nfs/dbraw/zinc/28/52/67/854285267.db2.gz IOSQCZVFIXIXTK-QGZVFWFLSA-N 1 0 385.265 3.629 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000330070233 862553528 /nfs/dbraw/zinc/55/35/28/862553528.db2.gz HYRCPKSJHVFUMN-AGHHOFFYSA-N 1 0 395.503 3.515 20 30 GHEDRO N#C[C@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCCOC1 ZINC000894990483 854346156 /nfs/dbraw/zinc/34/61/56/854346156.db2.gz IHCLUHPLEMLPCR-GOSISDBHSA-N 1 0 381.398 3.560 20 30 GHEDRO CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000572056086 854346811 /nfs/dbraw/zinc/34/68/11/854346811.db2.gz PAUZPRIXMFKDPH-UXHICEINSA-N 1 0 385.577 3.882 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895024156 854437611 /nfs/dbraw/zinc/43/76/11/854437611.db2.gz FPYCRDRAZBVWIW-INIZCTEOSA-N 1 0 388.924 3.672 20 30 GHEDRO C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cn2)C[C@@H](C)O1 ZINC000330091827 862567881 /nfs/dbraw/zinc/56/78/81/862567881.db2.gz QGJJRMIOEDHPBP-KZNAEPCWSA-N 1 0 386.540 3.938 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C[C@@H]1C ZINC000330096932 862572430 /nfs/dbraw/zinc/57/24/30/862572430.db2.gz ADWYBRORUAJQNC-ROUUACIJSA-N 1 0 386.540 3.581 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328695853 854512661 /nfs/dbraw/zinc/51/26/61/854512661.db2.gz DCPYHJXRYRKWOL-DLTLXFJOSA-N 1 0 386.414 3.544 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cn21 ZINC000328711936 854518475 /nfs/dbraw/zinc/51/84/75/854518475.db2.gz BHRVKPRBDCGSPH-GOSISDBHSA-N 1 0 398.555 3.842 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000156958185 854535825 /nfs/dbraw/zinc/53/58/25/854535825.db2.gz DWKSBRUFTIFVLU-UHFFFAOYSA-N 1 0 382.386 3.693 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328806571 854543076 /nfs/dbraw/zinc/54/30/76/854543076.db2.gz DHTJHYAEQGMINK-INIZCTEOSA-N 1 0 393.915 3.941 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)C[C@H]1C ZINC000328816401 854547531 /nfs/dbraw/zinc/54/75/31/854547531.db2.gz OQJAFVOVKJZMSD-IEBWSBKVSA-N 1 0 393.535 3.952 20 30 GHEDRO CC1(C)CC(NC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)CC(C)(C)[NH2+]1 ZINC000328789421 854558011 /nfs/dbraw/zinc/55/80/11/854558011.db2.gz PXFPJXPOYXUTTR-QGZVFWFLSA-N 1 0 383.540 3.724 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000328851601 854577066 /nfs/dbraw/zinc/57/70/66/854577066.db2.gz ZQVSEPBVQLXCDJ-RTWAWAEBSA-N 1 0 389.515 3.645 20 30 GHEDRO COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000328860481 854582075 /nfs/dbraw/zinc/58/20/75/854582075.db2.gz LKFMAGAJKAGURN-OAHLLOKOSA-N 1 0 388.537 3.823 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000328888081 854598164 /nfs/dbraw/zinc/59/81/64/854598164.db2.gz PGUBWPQHKHMARE-KYNGSXCRSA-N 1 0 390.478 3.871 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328938801 854609320 /nfs/dbraw/zinc/60/93/20/854609320.db2.gz RQOOZFULPPQQGM-GJZGRUSLSA-N 1 0 376.407 3.598 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H](C3CC3)C2)c1C#N ZINC000588977605 854622706 /nfs/dbraw/zinc/62/27/06/854622706.db2.gz DLHXBDURBJGPMA-GOSISDBHSA-N 1 0 380.492 3.678 20 30 GHEDRO C#CCNC(=O)c1ccc(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nc1 ZINC000732912554 862586339 /nfs/dbraw/zinc/58/63/39/862586339.db2.gz QSEFHFJHCAHZLR-KDURUIRLSA-N 1 0 390.531 3.535 20 30 GHEDRO CC(C)(CNC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000328977547 854638213 /nfs/dbraw/zinc/63/82/13/854638213.db2.gz QLHANWBIPZDVOI-HKUYNNGSSA-N 1 0 377.504 3.671 20 30 GHEDRO COc1ccc(Br)c(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000330473739 854674972 /nfs/dbraw/zinc/67/49/72/854674972.db2.gz QTFNOAOTOJRBFH-UHFFFAOYSA-N 1 0 398.345 3.724 20 30 GHEDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000330505263 854689419 /nfs/dbraw/zinc/68/94/19/854689419.db2.gz JZYAVMGCLCPTNR-UHFFFAOYSA-N 1 0 384.274 3.702 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330131277 862600989 /nfs/dbraw/zinc/60/09/89/862600989.db2.gz POIZKJRAVGVCIL-INIZCTEOSA-N 1 0 387.524 3.647 20 30 GHEDRO N#CCCN(C(=O)CN1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000056495536 854769637 /nfs/dbraw/zinc/76/96/37/854769637.db2.gz GLFFXRFTPYFULJ-UHFFFAOYSA-N 1 0 382.552 3.521 20 30 GHEDRO C[NH+](C)CC1(C(=O)N[C@@H](C#N)c2cccc(Br)c2)CCCCC1 ZINC000330926808 854787503 /nfs/dbraw/zinc/78/75/03/854787503.db2.gz WBJQYHQISVFUPJ-INIZCTEOSA-N 1 0 378.314 3.642 20 30 GHEDRO C[NH+](C)CC1(C(=O)N[C@H](C#N)c2cccc(Br)c2)CCCCC1 ZINC000330926809 854787824 /nfs/dbraw/zinc/78/78/24/854787824.db2.gz WBJQYHQISVFUPJ-MRXNPFEDSA-N 1 0 378.314 3.642 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)CC[C@H]21 ZINC000330136286 862604110 /nfs/dbraw/zinc/60/41/10/862604110.db2.gz UDEBQSPFUOTZKV-WCHWRFHJSA-N 1 0 396.535 3.578 20 30 GHEDRO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000589350661 854822481 /nfs/dbraw/zinc/82/24/81/854822481.db2.gz YGRIEKDEQAKXHA-REWPJTCUSA-N 1 0 380.488 3.536 20 30 GHEDRO CCNC(=O)N(C)c1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000331205270 854825315 /nfs/dbraw/zinc/82/53/15/854825315.db2.gz SMIMONSFEKHPEX-INIZCTEOSA-N 1 0 389.544 3.893 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000056663314 854843754 /nfs/dbraw/zinc/84/37/54/854843754.db2.gz FIYKSEQASBSYTA-AWEZNQCLSA-N 1 0 384.505 3.587 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCCc3c[nH]nc32)c2ccccc2)CC1 ZINC000330157220 862623121 /nfs/dbraw/zinc/62/31/21/862623121.db2.gz PHJDEDAFPAXBFC-WOJBJXKFSA-N 1 0 381.524 3.764 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](C(C)(C)C)C1 ZINC000669334253 855028130 /nfs/dbraw/zinc/02/81/30/855028130.db2.gz ATJFDKONPRNUCV-OTWHNJEPSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](C(C)C)CC1 ZINC000669336140 855039053 /nfs/dbraw/zinc/03/90/53/855039053.db2.gz WWPDCSJMPVESKO-ZCNNSNEGSA-N 1 0 387.572 3.652 20 30 GHEDRO Cc1ccc(-c2csc(NC(=O)CN3CCS[C@H]4COCC[C@H]43)n2)cc1 ZINC000330172958 862633305 /nfs/dbraw/zinc/63/33/05/862633305.db2.gz GXQCXQHLGQKSQK-SJORKVTESA-N 1 0 389.546 3.913 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1CC1CCCC1 ZINC000669335772 855043770 /nfs/dbraw/zinc/04/37/70/855043770.db2.gz QMFSJFVRJQBAPO-HBMCJLEFSA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000732996288 862646038 /nfs/dbraw/zinc/64/60/38/862646038.db2.gz FIZWXVNEWBEZCW-UHFFFAOYSA-N 1 0 380.330 3.770 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000106035982 855171041 /nfs/dbraw/zinc/17/10/41/855171041.db2.gz UZKKDVQEFZNBIY-HNNXBMFYSA-N 1 0 395.341 3.682 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000106276039 855205082 /nfs/dbraw/zinc/20/50/82/855205082.db2.gz XCTFZXACAWTUOE-UHFFFAOYSA-N 1 0 380.330 3.631 20 30 GHEDRO CC1CCC([N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]2CCCO2)CC1 ZINC000441476941 855213233 /nfs/dbraw/zinc/21/32/33/855213233.db2.gz QHCHSTHJJYWTHA-MHJFOBGBSA-N 1 0 375.557 3.731 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)[C@H]2C1 ZINC000590045293 855250049 /nfs/dbraw/zinc/25/00/49/855250049.db2.gz ONMNGHLWAMTCCN-BEFAXECRSA-N 1 0 381.863 3.780 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000590157769 855302484 /nfs/dbraw/zinc/30/24/84/855302484.db2.gz IXMDOFIGGMFZBF-UHFFFAOYSA-N 1 0 390.409 3.742 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000055389405 855313484 /nfs/dbraw/zinc/31/34/84/855313484.db2.gz SYHZEMOGSXUMSA-QZTJIDSGSA-N 1 0 395.503 3.828 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000590194703 855317052 /nfs/dbraw/zinc/31/70/52/855317052.db2.gz HSLFBNITXSVGTI-PRXAMGSTSA-N 1 0 384.293 3.682 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000025867570 855366734 /nfs/dbraw/zinc/36/67/34/855366734.db2.gz JRQTWYOGVTVECF-KBXCAEBGSA-N 1 0 378.394 3.862 20 30 GHEDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000590386606 855376410 /nfs/dbraw/zinc/37/64/10/855376410.db2.gz CJFAXHNVLUPCDO-GOSISDBHSA-N 1 0 389.499 3.551 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2F)on1 ZINC000057489906 855414333 /nfs/dbraw/zinc/41/43/33/855414333.db2.gz MLTMIGZSRBKNCN-UHFFFAOYSA-N 1 0 392.434 3.556 20 30 GHEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000330231014 862679201 /nfs/dbraw/zinc/67/92/01/862679201.db2.gz QVOJBVMDSSTLEG-APWZRJJASA-N 1 0 395.544 3.628 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C#N)cn1 ZINC000107568975 855478524 /nfs/dbraw/zinc/47/85/24/855478524.db2.gz SPLWKROLJKRMQY-UHFFFAOYSA-N 1 0 391.302 3.854 20 30 GHEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccc(Cl)cc1 ZINC000509615478 855522090 /nfs/dbraw/zinc/52/20/90/855522090.db2.gz GATGRFUTXPKNSL-GOSISDBHSA-N 1 0 397.972 3.726 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000459105575 855527632 /nfs/dbraw/zinc/52/76/32/855527632.db2.gz CIMRAVIYRFTMLT-DYESRHJHSA-N 1 0 394.494 3.892 20 30 GHEDRO N#Cc1cc2c(nc1N1CC[NH+](Cc3cccc4ccccc43)CC1)CCOC2 ZINC000590684679 855529602 /nfs/dbraw/zinc/52/96/02/855529602.db2.gz BHWRAKQCSDMVAU-UHFFFAOYSA-N 1 0 384.483 3.501 20 30 GHEDRO N#C[C@]1(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC12CCCC2 ZINC000590723596 855545568 /nfs/dbraw/zinc/54/55/68/855545568.db2.gz OODMDQPRMZOWLL-CTVDGRRTSA-N 1 0 377.532 3.877 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000590778249 855579203 /nfs/dbraw/zinc/57/92/03/855579203.db2.gz JKJOOUZDAQZHFK-UHFFFAOYSA-N 1 0 398.894 3.735 20 30 GHEDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000590804093 855595508 /nfs/dbraw/zinc/59/55/08/855595508.db2.gz GREKZGZJZLCVEC-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000590885077 855646312 /nfs/dbraw/zinc/64/63/12/855646312.db2.gz OITVCEXLGMRNRW-UHFFFAOYSA-N 1 0 385.851 3.643 20 30 GHEDRO C[NH+](C)[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC000301352831 855675886 /nfs/dbraw/zinc/67/58/86/855675886.db2.gz JJFLFOYJEYBIPD-LJQANCHMSA-N 1 0 379.395 3.869 20 30 GHEDRO COc1ccccc1[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000301366952 855680371 /nfs/dbraw/zinc/68/03/71/855680371.db2.gz SPAVIHHDVRTACP-LJQANCHMSA-N 1 0 391.431 3.738 20 30 GHEDRO COc1cccc([C@H]2[C@H](Nc3ccc([N+](=O)[O-])cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000302018304 855801635 /nfs/dbraw/zinc/80/16/35/855801635.db2.gz CUUYQSBFKGQFNK-RTWAWAEBSA-N 1 0 378.432 3.865 20 30 GHEDRO CCOc1ccc(C[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000591159155 855802833 /nfs/dbraw/zinc/80/28/33/855802833.db2.gz RRTJGBYJRRWDNV-IBGZPJMESA-N 1 0 393.531 3.726 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000591277480 855880115 /nfs/dbraw/zinc/88/01/15/855880115.db2.gz PADDRDGUWUAKDB-ZWKOTPCHSA-N 1 0 391.475 3.599 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC[C@@H]1[NH3+] ZINC000591284629 855884006 /nfs/dbraw/zinc/88/40/06/855884006.db2.gz SFRKKCOKLHJFNX-APWZRJJASA-N 1 0 394.475 3.950 20 30 GHEDRO C[N@H+](CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465761958 855892479 /nfs/dbraw/zinc/89/24/79/855892479.db2.gz VFPCSBAFOVYUAR-FGZHOGPDSA-N 1 0 376.504 3.600 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000542811553 855967642 /nfs/dbraw/zinc/96/76/42/855967642.db2.gz SAKWQJBPZOVMEY-FDDCHVKYSA-N 1 0 399.498 3.649 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CCC[N@@H+](C3CCCC3)CC2)c2ccccc21 ZINC000172582879 855977719 /nfs/dbraw/zinc/97/77/19/855977719.db2.gz NBLLQQDCSVREQD-UHFFFAOYSA-N 1 0 378.520 3.688 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H](CC#N)C2)C[C@H]1C(F)(F)F ZINC001168558386 855982285 /nfs/dbraw/zinc/98/22/85/855982285.db2.gz JNCUEUWSZLQYGP-ILXRZTDVSA-N 1 0 375.435 3.942 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000172150934 855987748 /nfs/dbraw/zinc/98/77/48/855987748.db2.gz CSHDVNFUJODZCA-JOCHJYFZSA-N 1 0 378.520 3.623 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591552540 856146351 /nfs/dbraw/zinc/14/63/51/856146351.db2.gz ZUKJTHWKNNZJSR-LJQANCHMSA-N 1 0 393.453 3.717 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000438638838 856217112 /nfs/dbraw/zinc/21/71/12/856217112.db2.gz ZBFOIJVPRPPBMI-QGZVFWFLSA-N 1 0 388.393 3.973 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000591763820 856231933 /nfs/dbraw/zinc/23/19/33/856231933.db2.gz KVUIKDOTYJPSDT-MAUKXSAKSA-N 1 0 376.378 3.594 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC3CCCC3)cc2)cc1 ZINC000591730888 856234128 /nfs/dbraw/zinc/23/41/28/856234128.db2.gz VLHZKDFHJZRYAG-FQEVSTJZSA-N 1 0 380.488 3.604 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)CC1 ZINC000171724721 856244648 /nfs/dbraw/zinc/24/46/48/856244648.db2.gz FCURTRUHVJCBSQ-NRFANRHFSA-N 1 0 399.579 3.505 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000280954610 862774017 /nfs/dbraw/zinc/77/40/17/862774017.db2.gz JLFKZHBZVVNKJK-NZQKXSOJSA-N 1 0 397.482 3.501 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1OCc1cccnc1 ZINC000171769451 862775359 /nfs/dbraw/zinc/77/53/59/862775359.db2.gz BLKRESSCZQUROO-UHFFFAOYSA-N 1 0 389.455 3.861 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000485262693 856278372 /nfs/dbraw/zinc/27/83/72/856278372.db2.gz UKUCZVNAKDHVDF-SFHVURJKSA-N 1 0 389.377 3.742 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC000665182387 856280182 /nfs/dbraw/zinc/28/01/82/856280182.db2.gz JXEUPJRBXMOULR-ICSRJNTNSA-N 1 0 393.959 3.785 20 30 GHEDRO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000280962605 862778479 /nfs/dbraw/zinc/77/84/79/862778479.db2.gz KQBCNYSVRROSRC-SUMWQHHRSA-N 1 0 380.366 3.872 20 30 GHEDRO C/C=C/c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000591765904 856289741 /nfs/dbraw/zinc/28/97/41/856289741.db2.gz QFXJPSRKWKSSDL-OAJJDEHYSA-N 1 0 386.879 3.783 20 30 GHEDRO CCOCc1nc(C)cc(N=NC(C)c2ccc(O)c(C[NH+](CC)CC)c2)n1 ZINC000905507263 856360075 /nfs/dbraw/zinc/36/00/75/856360075.db2.gz SPQAYDHCCAAQSX-UHFFFAOYSA-N 1 0 385.512 3.705 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000172182901 856365566 /nfs/dbraw/zinc/36/55/66/856365566.db2.gz BIJORCSHISNSDL-JXFKEZNVSA-N 1 0 393.487 3.812 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000765928031 856411148 /nfs/dbraw/zinc/41/11/48/856411148.db2.gz KDMUAYFOSLJJEZ-FUHWJXTLSA-N 1 0 399.922 3.846 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(-c4ccccn4)c3)C2=O)cc1 ZINC000485390208 856431877 /nfs/dbraw/zinc/43/18/77/856431877.db2.gz XHOHJQKFHJARIB-HSZRJFAPSA-N 1 0 382.467 3.905 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)CC1 ZINC000061112015 856441164 /nfs/dbraw/zinc/44/11/64/856441164.db2.gz GDESISLRNFEKIB-UHFFFAOYSA-N 1 0 394.544 3.891 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624836078 856447461 /nfs/dbraw/zinc/44/74/61/856447461.db2.gz BRJNDQQGEDMNBA-HMXCVIKNSA-N 1 0 395.551 3.662 20 30 GHEDRO COc1ccc(CNc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1C#N ZINC000131758491 856629351 /nfs/dbraw/zinc/62/93/51/856629351.db2.gz NVPFBPWPCVBUPP-UHFFFAOYSA-N 1 0 392.503 3.993 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000330305260 862821766 /nfs/dbraw/zinc/82/17/66/862821766.db2.gz QMNUDSMWVVTARW-GOSISDBHSA-N 1 0 393.553 3.714 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000674706309 856732583 /nfs/dbraw/zinc/73/25/83/856732583.db2.gz DMUZMAUQNUWUPY-LJQANCHMSA-N 1 0 385.533 3.626 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(n2cc(Cl)cn2)CC1)C(C)C ZINC000507974272 856755422 /nfs/dbraw/zinc/75/54/22/856755422.db2.gz XGUBHXUQUSJTNE-IBGZPJMESA-N 1 0 393.963 3.582 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508906905 856773794 /nfs/dbraw/zinc/77/37/94/856773794.db2.gz IYCOKLRSMNPNPK-UHFFFAOYSA-N 1 0 385.581 3.766 20 30 GHEDRO CCCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CCc2ncsc2C1 ZINC000592187227 856790578 /nfs/dbraw/zinc/79/05/78/856790578.db2.gz IKTWUHMLUKHCMM-MRXNPFEDSA-N 1 0 383.517 3.961 20 30 GHEDRO N#CCCCn1cc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c2ccccc21 ZINC000508043606 856847683 /nfs/dbraw/zinc/84/76/83/856847683.db2.gz WZOIWXUZIPSKQK-UHFFFAOYSA-N 1 0 378.520 3.893 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508045629 856848903 /nfs/dbraw/zinc/84/89/03/856848903.db2.gz HOPMZHWKFFBQIU-IBGZPJMESA-N 1 0 379.508 3.901 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000733322596 862863908 /nfs/dbraw/zinc/86/39/08/862863908.db2.gz OLHMAQBTWSHPCY-QFIPXVFZSA-N 1 0 384.907 3.515 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)ccc1OC ZINC000733329899 862871885 /nfs/dbraw/zinc/87/18/85/862871885.db2.gz DXMLKPDJWRBOLV-KXBFYZLASA-N 1 0 396.487 3.998 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCc3cccc(C#N)c3)c2)CC1 ZINC000076424367 857125754 /nfs/dbraw/zinc/12/57/54/857125754.db2.gz DYCQFLQCOCSGSP-UHFFFAOYSA-N 1 0 376.504 3.790 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1cc(F)cc(Br)c1 ZINC000485843878 857138816 /nfs/dbraw/zinc/13/88/16/857138816.db2.gz FEKMBBUOLWGXKM-WBVHZDCISA-N 1 0 384.293 3.683 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1-c1ccnn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000508355438 857217880 /nfs/dbraw/zinc/21/78/80/857217880.db2.gz SDAFJBOTPFGQIV-SFHVURJKSA-N 1 0 399.502 3.812 20 30 GHEDRO C=CCCCN(C)C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000520809014 857237997 /nfs/dbraw/zinc/23/79/97/857237997.db2.gz MCHRLHVFNOVNPX-UHFFFAOYSA-N 1 0 389.565 3.628 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC(CCC#N)CC2)cc1 ZINC000574197097 857276106 /nfs/dbraw/zinc/27/61/06/857276106.db2.gz OPZJUJCNBQIUEK-UHFFFAOYSA-N 1 0 386.540 3.633 20 30 GHEDRO C[C@@H](CO)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000593082854 857317827 /nfs/dbraw/zinc/31/78/27/857317827.db2.gz ISOQXPPQMAHATF-HNNXBMFYSA-N 1 0 389.565 3.558 20 30 GHEDRO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)n1 ZINC000282203692 857318118 /nfs/dbraw/zinc/31/81/18/857318118.db2.gz GZEQDHCKJIFPCS-UHFFFAOYSA-N 1 0 385.489 3.580 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000174494540 857327363 /nfs/dbraw/zinc/32/73/63/857327363.db2.gz NLYVMFHDGIIXGX-OAHLLOKOSA-N 1 0 382.439 3.953 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CC[NH2+]C34CCCC4)cc2)ccn1 ZINC000592425586 857394351 /nfs/dbraw/zinc/39/43/51/857394351.db2.gz FHYNDQIYCJNZQK-LJQANCHMSA-N 1 0 377.448 3.542 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H](C)c1ccccc1 ZINC000174891904 857402785 /nfs/dbraw/zinc/40/27/85/857402785.db2.gz AYKXUQPSSYLCLR-VQTJNVASSA-N 1 0 390.531 3.968 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]3(C#N)CC4CCC3CC4)cc2)CC1 ZINC000907222777 857534726 /nfs/dbraw/zinc/53/47/26/857534726.db2.gz HVJFXMVRLXSGJP-KXXGJQBSSA-N 1 0 380.536 3.876 20 30 GHEDRO CC(C)Oc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1Br ZINC000593419308 857555924 /nfs/dbraw/zinc/55/59/24/857555924.db2.gz UDLQZUSUNDPGED-UHFFFAOYSA-N 1 0 396.329 3.544 20 30 GHEDRO C[C@]1(NC(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000593383489 857561906 /nfs/dbraw/zinc/56/19/06/857561906.db2.gz WQLVXGZJNWCSOY-GGAORHGYSA-N 1 0 376.504 3.995 20 30 GHEDRO C[NH+](C)CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CCCC1 ZINC000442186054 857576022 /nfs/dbraw/zinc/57/60/22/857576022.db2.gz SBWHEYJRXKJNOJ-UHFFFAOYSA-N 1 0 384.402 3.795 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H](C)C(=O)NC4(C#N)CCCCC4)C3)nc2c1 ZINC000130821388 857579784 /nfs/dbraw/zinc/57/97/84/857579784.db2.gz GUMLZAOHQQMXEZ-ZWKOTPCHSA-N 1 0 393.535 3.782 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)cc1 ZINC000521107824 857626217 /nfs/dbraw/zinc/62/62/17/857626217.db2.gz HFPYZXHUPKAOHF-FGZHOGPDSA-N 1 0 375.472 3.902 20 30 GHEDRO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000521133313 857644279 /nfs/dbraw/zinc/64/42/79/857644279.db2.gz KEQPZKJQBWUYON-WOJBJXKFSA-N 1 0 379.891 3.806 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001168700667 857742276 /nfs/dbraw/zinc/74/22/76/857742276.db2.gz OTPMPHPXLLRMSE-UXHICEINSA-N 1 0 379.508 3.637 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000466039875 857962007 /nfs/dbraw/zinc/96/20/07/857962007.db2.gz SZMYHPHQTFNKPF-YLJYHZDGSA-N 1 0 392.503 3.936 20 30 GHEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000439020950 858090816 /nfs/dbraw/zinc/09/08/16/858090816.db2.gz LBPVGGSCQZAWEO-IBGZPJMESA-N 1 0 396.491 3.565 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000574647291 858104467 /nfs/dbraw/zinc/10/44/67/858104467.db2.gz QGVLEYUKUGHOGR-SJORKVTESA-N 1 0 391.475 3.599 20 30 GHEDRO CNc1cc(Cl)ccc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594373330 858138617 /nfs/dbraw/zinc/13/86/17/858138617.db2.gz QPJCAAJTNVCFAY-UHFFFAOYSA-N 1 0 382.895 3.648 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000543061168 858140899 /nfs/dbraw/zinc/14/08/99/858140899.db2.gz TUIURQAQFCPKBV-FQEVSTJZSA-N 1 0 393.535 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCO2 ZINC000922159849 858165223 /nfs/dbraw/zinc/16/52/23/858165223.db2.gz HWHNCPDFLJUVCW-OKZBNKHCSA-N 1 0 377.529 3.607 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](c1ccccc1)C2 ZINC000594432513 858176670 /nfs/dbraw/zinc/17/66/70/858176670.db2.gz BYFFAWXLKUVPQT-FCHUYYIVSA-N 1 0 377.488 3.732 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000594434306 858177199 /nfs/dbraw/zinc/17/71/99/858177199.db2.gz MYNZFHXAHKYFLY-OAQYLSRUSA-N 1 0 377.488 3.956 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC000594439223 858177569 /nfs/dbraw/zinc/17/75/69/858177569.db2.gz OSVCKDHSJKXVFD-INIZCTEOSA-N 1 0 397.500 3.959 20 30 GHEDRO COc1ccc([C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2Cl)cc1 ZINC000594447696 858178877 /nfs/dbraw/zinc/17/88/77/858178877.db2.gz VJJPVQOAFAGQQQ-VQTJNVASSA-N 1 0 385.895 3.965 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000594536766 858214174 /nfs/dbraw/zinc/21/41/74/858214174.db2.gz GAYWGEGYQWCLGT-INIZCTEOSA-N 1 0 376.460 3.895 20 30 GHEDRO C=CC[NH+]1CCC(NCc2cc(Cl)ccc2I)CC1 ZINC000594919643 858304771 /nfs/dbraw/zinc/30/47/71/858304771.db2.gz IHOFFZYBJNBFRG-UHFFFAOYSA-N 1 0 390.696 3.685 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)Nc3ccc(F)c(C#N)c3)CCCCC2)CCO1 ZINC000521786415 858324592 /nfs/dbraw/zinc/32/45/92/858324592.db2.gz YDQMXJDUUDWBEY-UHFFFAOYSA-N 1 0 388.487 3.633 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000574813490 858325661 /nfs/dbraw/zinc/32/56/61/858325661.db2.gz NLVXRQRHGKYFAY-PKTZIBPZSA-N 1 0 384.483 3.588 20 30 GHEDRO COC[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCOCC1 ZINC000594957709 858345741 /nfs/dbraw/zinc/34/57/41/858345741.db2.gz UFHKXYHTOAJYFZ-QHCPKHFHSA-N 1 0 380.488 3.668 20 30 GHEDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000594963856 858347587 /nfs/dbraw/zinc/34/75/87/858347587.db2.gz KOYSUWQZZQJOSV-CQOQZXRMSA-N 1 0 394.515 3.793 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccncc2s1 ZINC000595040117 858376365 /nfs/dbraw/zinc/37/63/65/858376365.db2.gz HGJLAPAZZBLAKL-KBXCAEBGSA-N 1 0 376.485 3.620 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000466136251 858426573 /nfs/dbraw/zinc/42/65/73/858426573.db2.gz XTVZXZXWOTXAEN-BHDDXSALSA-N 1 0 380.536 3.744 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168706632 858445952 /nfs/dbraw/zinc/44/59/52/858445952.db2.gz JBEBCHVIUJJUIE-LJQANCHMSA-N 1 0 379.891 3.573 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595234164 858448115 /nfs/dbraw/zinc/44/81/15/858448115.db2.gz FYYWCYHHAURTEW-NRFANRHFSA-N 1 0 378.476 3.663 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000521962487 858490261 /nfs/dbraw/zinc/49/02/61/858490261.db2.gz FUXCGNWQHLOURW-UHFFFAOYSA-N 1 0 392.503 3.987 20 30 GHEDRO COCCC[NH+]1CCC(Nc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000171070337 863030281 /nfs/dbraw/zinc/03/02/81/863030281.db2.gz HHKKWVLOBQHNDX-UHFFFAOYSA-N 1 0 376.863 3.812 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C(F)(F)F)c1 ZINC000595389479 858522187 /nfs/dbraw/zinc/52/21/87/858522187.db2.gz HWRDZAZJOAWIDP-HNNXBMFYSA-N 1 0 375.398 3.883 20 30 GHEDRO CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000595414397 858524729 /nfs/dbraw/zinc/52/47/29/858524729.db2.gz CNEZBVABIYWEQZ-JOCHJYFZSA-N 1 0 391.515 3.843 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595573699 858557028 /nfs/dbraw/zinc/55/70/28/858557028.db2.gz HMDUMTUFXAMVAD-IDHHARJASA-N 1 0 392.906 3.807 20 30 GHEDRO Cc1ccc(C)c(OC2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000067459823 858577767 /nfs/dbraw/zinc/57/77/67/858577767.db2.gz RBZZQUAIZVBABD-OAQYLSRUSA-N 1 0 394.515 3.653 20 30 GHEDRO C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C[NH+]1CCCCC1 ZINC000522071294 858591372 /nfs/dbraw/zinc/59/13/72/858591372.db2.gz HOSUEWDODKFZDP-LJQANCHMSA-N 1 0 376.504 3.725 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000575219810 858608331 /nfs/dbraw/zinc/60/83/31/858608331.db2.gz LRKQWJVBJCRKIE-AZUAARDMSA-N 1 0 390.535 3.949 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595639956 858624169 /nfs/dbraw/zinc/62/41/69/858624169.db2.gz FWGACWPTVSKWQJ-JBACZVJFSA-N 1 0 380.536 3.670 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595640641 858635707 /nfs/dbraw/zinc/63/57/07/858635707.db2.gz SPTIGNBCUQQQED-UHFFFAOYSA-N 1 0 387.487 3.824 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)CCCC1 ZINC000595779604 858684850 /nfs/dbraw/zinc/68/48/50/858684850.db2.gz BOOVNSFLFJEYQG-UHFFFAOYSA-N 1 0 392.521 3.853 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595790922 858689938 /nfs/dbraw/zinc/68/99/38/858689938.db2.gz ZNWQRNRDHIJKIH-WBEUORRHSA-N 1 0 375.557 3.587 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593131121 858727987 /nfs/dbraw/zinc/72/79/87/858727987.db2.gz GBWBCIWFGQZRNP-UHFFFAOYSA-N 1 0 393.447 3.561 20 30 GHEDRO N#Cc1ccc(C[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000543177485 858739763 /nfs/dbraw/zinc/73/97/63/858739763.db2.gz TYADMRMSOIMPLX-LJQANCHMSA-N 1 0 390.405 3.981 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000115994016 858774678 /nfs/dbraw/zinc/77/46/78/858774678.db2.gz RMFCGFWOWWXFHO-QZTJIDSGSA-N 1 0 383.442 3.530 20 30 GHEDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000080079251 858788335 /nfs/dbraw/zinc/78/83/35/858788335.db2.gz YGKWDHVZAAZHOM-LJQANCHMSA-N 1 0 376.504 3.845 20 30 GHEDRO Cn1ccc2c1cccc2NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593153476 858799369 /nfs/dbraw/zinc/79/93/69/858799369.db2.gz NJHUBEFTJSOVFV-UHFFFAOYSA-N 1 0 387.487 3.836 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000596187297 858801872 /nfs/dbraw/zinc/80/18/72/858801872.db2.gz PECDNQDGACKXIK-UWJYYQICSA-N 1 0 376.504 3.928 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(CC#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000183762661 858814041 /nfs/dbraw/zinc/81/40/41/858814041.db2.gz BMIZZVPZTCMLDP-FGZHOGPDSA-N 1 0 390.487 3.861 20 30 GHEDRO Cc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000761157226 858826897 /nfs/dbraw/zinc/82/68/97/858826897.db2.gz AIHPTQPIPJMSIS-UHFFFAOYSA-N 1 0 376.504 3.666 20 30 GHEDRO N#Cc1c(Br)cccc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314738 858855290 /nfs/dbraw/zinc/85/52/90/858855290.db2.gz ODAVDJCINIZUBK-UHFFFAOYSA-N 1 0 378.314 3.624 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC2CCC2)sc2c1CCCC2 ZINC000550507758 858908350 /nfs/dbraw/zinc/90/83/50/858908350.db2.gz STODFPNRWHRHAH-INIZCTEOSA-N 1 0 387.549 3.718 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000596594793 858957677 /nfs/dbraw/zinc/95/76/77/858957677.db2.gz NJSGHWUSURNMIQ-FQEVSTJZSA-N 1 0 396.922 3.670 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 ZINC000596631090 858987685 /nfs/dbraw/zinc/98/76/85/858987685.db2.gz WXDSGKFVQJCNQD-UHFFFAOYSA-N 1 0 384.524 3.561 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000596713599 859027124 /nfs/dbraw/zinc/02/71/24/859027124.db2.gz LAYAUUUAQCVSIK-HNNXBMFYSA-N 1 0 382.464 3.821 20 30 GHEDRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000596723056 859054315 /nfs/dbraw/zinc/05/43/15/859054315.db2.gz GGSOGNBIHPSIRW-UHFFFAOYSA-N 1 0 398.894 3.816 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccccc3OCCF)CC2)c1 ZINC000593222847 859057131 /nfs/dbraw/zinc/05/71/31/859057131.db2.gz XGPILHICTZEQMO-UHFFFAOYSA-N 1 0 396.466 3.693 20 30 GHEDRO N#Cc1sccc1C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923163919 859079016 /nfs/dbraw/zinc/07/90/16/859079016.db2.gz AVUQZSUJWLAMQI-GOSISDBHSA-N 1 0 395.528 3.563 20 30 GHEDRO CCN(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000596900775 859137272 /nfs/dbraw/zinc/13/72/72/859137272.db2.gz WKVPKGWOACYGOT-GOSISDBHSA-N 1 0 394.523 3.599 20 30 GHEDRO [NH2+]=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)Nc1ccccc1OC(F)(F)F ZINC000187135904 859197770 /nfs/dbraw/zinc/19/77/70/859197770.db2.gz USDPZBWYTARNCQ-IINYFYTJSA-N 1 0 399.335 3.795 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429384110 859218251 /nfs/dbraw/zinc/21/82/51/859218251.db2.gz RVTCKPXXRYHGEB-SCLBCKFNSA-N 1 0 392.341 3.670 20 30 GHEDRO COc1cc(C)c(C)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000596999599 859237015 /nfs/dbraw/zinc/23/70/15/859237015.db2.gz DOBYLIVSXFAGHR-UHFFFAOYSA-N 1 0 392.503 3.924 20 30 GHEDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000597026208 859242568 /nfs/dbraw/zinc/24/25/68/859242568.db2.gz MKPCALQVFPSKBY-UHFFFAOYSA-N 1 0 391.515 3.971 20 30 GHEDRO COCc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1C(F)(F)F ZINC000597044468 859251283 /nfs/dbraw/zinc/25/12/83/859251283.db2.gz YQQSUBJOIWWDHS-UHFFFAOYSA-N 1 0 386.418 3.551 20 30 GHEDRO C=CC[N@H+](Cc1ccc(Br)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483271654 859260487 /nfs/dbraw/zinc/26/04/87/859260487.db2.gz NVIQAKVZGASFCS-ZDUSSCGKSA-N 1 0 388.269 3.767 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1F ZINC000160858010 859292064 /nfs/dbraw/zinc/29/20/64/859292064.db2.gz POWIMDVUIJQHBN-UHFFFAOYSA-N 1 0 383.442 3.673 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000069071205 859326622 /nfs/dbraw/zinc/32/66/22/859326622.db2.gz ARPFBPUBTUCOFC-QGZVFWFLSA-N 1 0 395.503 3.663 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000429430324 859355727 /nfs/dbraw/zinc/35/57/27/859355727.db2.gz LAFUZVHRUZWWLT-CJNGLKHVSA-N 1 0 391.284 3.962 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000429433382 859358659 /nfs/dbraw/zinc/35/86/59/859358659.db2.gz YBWSYHKHNVSRHC-HIFRSBDPSA-N 1 0 391.284 3.962 20 30 GHEDRO COc1cc(C[NH+](C)C)ccc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000601623041 859385691 /nfs/dbraw/zinc/38/56/91/859385691.db2.gz XZBNXSSZBXYXMW-UHFFFAOYSA-N 1 0 381.476 3.816 20 30 GHEDRO N#Cc1ccc(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000483506061 859417300 /nfs/dbraw/zinc/41/73/00/859417300.db2.gz YSPDMAKCPDYMHR-UHFFFAOYSA-N 1 0 383.542 3.838 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN(CC)C[C@H]2CCOC2)c1=S ZINC000738081494 859432125 /nfs/dbraw/zinc/43/21/25/859432125.db2.gz LINPMYLXLLQGII-OAHLLOKOSA-N 1 0 376.501 3.722 20 30 GHEDRO CCCCCCCCCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764439539 859449994 /nfs/dbraw/zinc/44/99/94/859449994.db2.gz XDLTUCUKZADECG-RTWAWAEBSA-N 1 0 380.621 3.795 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CCO)c2ccco2)sc2c1CCCCC2 ZINC000185128647 859487421 /nfs/dbraw/zinc/48/74/21/859487421.db2.gz NFKQOSUXLDFUPF-MRXNPFEDSA-N 1 0 387.505 3.524 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000025287928 859494176 /nfs/dbraw/zinc/49/41/76/859494176.db2.gz XWBPPZCWTNEXSI-RDGATRHJSA-N 1 0 384.479 3.946 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)c(Cl)cc3F)CC2)c1 ZINC000593351956 859532523 /nfs/dbraw/zinc/53/25/23/859532523.db2.gz WUTGMPGQBKSBMA-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C/C=C\c3ccc(F)cc3)CC2)c1 ZINC000593352464 859535214 /nfs/dbraw/zinc/53/52/14/859535214.db2.gz BEFNMZOBEHWYPY-IHWYPQMZSA-N 1 0 377.463 3.881 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(c4cccc(F)c4)CC3)CC2)c1 ZINC000593352857 859536726 /nfs/dbraw/zinc/53/67/26/859536726.db2.gz GAWDASUTWIVOCC-UHFFFAOYSA-N 1 0 377.463 3.510 20 30 GHEDRO CS[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593352896 859537057 /nfs/dbraw/zinc/53/70/57/859537057.db2.gz HBHGZJOONMTUMJ-NRFANRHFSA-N 1 0 379.529 3.743 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000601790851 859538003 /nfs/dbraw/zinc/53/80/03/859538003.db2.gz DPSSREBTYZPLFO-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3SCCc4ccccc43)CC2)c1 ZINC000593355452 859544168 /nfs/dbraw/zinc/54/41/68/859544168.db2.gz XQUYSEYGRFGLCK-JOCHJYFZSA-N 1 0 391.540 3.669 20 30 GHEDRO COc1ccccc1[C@@H](C)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593354503 859553819 /nfs/dbraw/zinc/55/38/19/859553819.db2.gz PUHMTTMWARSKME-SFHVURJKSA-N 1 0 391.515 3.841 20 30 GHEDRO CCSc1ccc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593354986 859557995 /nfs/dbraw/zinc/55/79/95/859557995.db2.gz VEIGFLZYHNOMRO-UHFFFAOYSA-N 1 0 393.556 3.994 20 30 GHEDRO N#CC1(c2ccccc2)CCC(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001170371117 881438168 /nfs/dbraw/zinc/43/81/68/881438168.db2.gz BHFOVDUXNWVXNO-FDNODPCQSA-N 1 0 375.520 3.957 20 30 GHEDRO C#CCN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000764725069 859582251 /nfs/dbraw/zinc/58/22/51/859582251.db2.gz JZJTYOCHIKSNPA-VQIMIIECSA-N 1 0 393.453 3.896 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000601898861 859616698 /nfs/dbraw/zinc/61/66/98/859616698.db2.gz ONLRLCVFUPSEOD-HSZRJFAPSA-N 1 0 398.595 3.753 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC000611233235 859662094 /nfs/dbraw/zinc/66/20/94/859662094.db2.gz QIPOYZBWHUAFHI-IAGOWNOFSA-N 1 0 380.467 3.502 20 30 GHEDRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc(OCCCC#N)c1 ZINC000611255502 859668241 /nfs/dbraw/zinc/66/82/41/859668241.db2.gz SKYKMNSSNLGYOX-UHFFFAOYSA-N 1 0 377.488 3.893 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000601943661 859668416 /nfs/dbraw/zinc/66/84/16/859668416.db2.gz YHZBJXFICNOZJO-CZUORRHYSA-N 1 0 383.521 3.537 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967107 859681116 /nfs/dbraw/zinc/68/11/16/859681116.db2.gz FNBHKEVTULQZEF-NWDGAFQWSA-N 1 0 397.306 3.592 20 30 GHEDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000597616067 859683270 /nfs/dbraw/zinc/68/32/70/859683270.db2.gz CJROAWOCDYDPAF-IRLDBZIGSA-N 1 0 399.579 3.794 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCOC2(C)C)cc1OC ZINC000657786229 859685713 /nfs/dbraw/zinc/68/57/13/859685713.db2.gz NNZVXXXOANXGKS-CQSZACIVSA-N 1 0 384.314 3.927 20 30 GHEDRO CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000895601818 859698676 /nfs/dbraw/zinc/69/86/76/859698676.db2.gz XSSCJJWXVSRJPU-QGZVFWFLSA-N 1 0 379.545 3.855 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)c1cccc(Cl)c1 ZINC000611350783 859714993 /nfs/dbraw/zinc/71/49/93/859714993.db2.gz SFJLVXULJFMNOG-MSOLQXFVSA-N 1 0 389.927 3.725 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1C#N ZINC000611347859 859723189 /nfs/dbraw/zinc/72/31/89/859723189.db2.gz QOVAFKKDXPRBBD-OPYAIIAOSA-N 1 0 377.536 3.890 20 30 GHEDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000611386272 859731027 /nfs/dbraw/zinc/73/10/27/859731027.db2.gz HAKPCTMLPZMQDF-HRAATJIYSA-N 1 0 393.487 3.590 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000611387020 859732000 /nfs/dbraw/zinc/73/20/00/859732000.db2.gz YLALMJLVMDHJOX-HUUCEWRRSA-N 1 0 378.501 3.866 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1cccc(C#N)c1 ZINC000611389091 859733351 /nfs/dbraw/zinc/73/33/51/859733351.db2.gz QLQZJNMYVRMJHS-HNAYVOBHSA-N 1 0 388.427 3.773 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)C1CCCCC1 ZINC000611433629 859752929 /nfs/dbraw/zinc/75/29/29/859752929.db2.gz FUMBJEZCWIIFPG-HXUWFJFHSA-N 1 0 388.556 3.900 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c(=S)o2)cc1 ZINC000765053596 859753600 /nfs/dbraw/zinc/75/36/00/859753600.db2.gz LRBRSZVQQSESGH-SJORKVTESA-N 1 0 386.521 3.563 20 30 GHEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000611465630 859770389 /nfs/dbraw/zinc/77/03/89/859770389.db2.gz NIMPLIOSDUCWEH-FCHUYYIVSA-N 1 0 390.531 3.896 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000052823767 859786430 /nfs/dbraw/zinc/78/64/30/859786430.db2.gz BJFBYWUOTGHNPO-LJQANCHMSA-N 1 0 391.446 3.708 20 30 GHEDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000611532070 859797943 /nfs/dbraw/zinc/79/79/43/859797943.db2.gz MFGFFWZGYMZQQB-SFHVURJKSA-N 1 0 388.508 3.789 20 30 GHEDRO CC(C)(C)OCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530682 859802068 /nfs/dbraw/zinc/80/20/68/859802068.db2.gz SARSGVABBGJHGT-GOSISDBHSA-N 1 0 394.357 3.837 20 30 GHEDRO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000611552588 859808910 /nfs/dbraw/zinc/80/89/10/859808910.db2.gz DSKSZFYTAYFFBW-QHCPKHFHSA-N 1 0 381.495 3.657 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499183426 881469413 /nfs/dbraw/zinc/46/94/13/881469413.db2.gz BHZSAXBOKMQFPT-UYAOXDASSA-N 1 0 397.519 3.523 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508908920 859866325 /nfs/dbraw/zinc/86/63/25/859866325.db2.gz WRNDFFYCMOWVLM-VQIMIIECSA-N 1 0 387.503 3.520 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597855440 859872396 /nfs/dbraw/zinc/87/23/96/859872396.db2.gz QPHQJUBEMPVIBA-GOSISDBHSA-N 1 0 391.515 3.987 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000765378868 859943378 /nfs/dbraw/zinc/94/33/78/859943378.db2.gz CTSRONNJVMQBHD-CQSZACIVSA-N 1 0 387.277 3.750 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508911401 859949940 /nfs/dbraw/zinc/94/99/40/859949940.db2.gz AVYYLIIIAYGKJN-HXUWFJFHSA-N 1 0 397.567 3.828 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508911400 859950387 /nfs/dbraw/zinc/95/03/87/859950387.db2.gz AVYYLIIIAYGKJN-FQEVSTJZSA-N 1 0 397.567 3.828 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC(C)(C)c2cccc(C#N)c2)[C@H](C(F)(F)F)C1 ZINC000597954009 859957064 /nfs/dbraw/zinc/95/70/64/859957064.db2.gz FGIHNLBQWZGCEI-HZPDHXFCSA-N 1 0 381.442 3.818 20 30 GHEDRO C=CCC1(O)CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000895835269 859997161 /nfs/dbraw/zinc/99/71/61/859997161.db2.gz CKQSFLQCPPKQEN-UHFFFAOYSA-N 1 0 388.515 3.896 20 30 GHEDRO CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598039710 860018599 /nfs/dbraw/zinc/01/85/99/860018599.db2.gz MBQPCNBJMGOZEH-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CC[N@@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)CC1CCCCC1 ZINC000484491765 860031988 /nfs/dbraw/zinc/03/19/88/860031988.db2.gz WAIZWAJKJFOEBM-UHFFFAOYSA-N 1 0 385.552 3.526 20 30 GHEDRO C=CC[NH+]1CCC(N2C(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)CC1 ZINC000761255997 860042417 /nfs/dbraw/zinc/04/24/17/860042417.db2.gz YVARQURTTZNRQU-INIZCTEOSA-N 1 0 382.291 3.579 20 30 GHEDRO CN(CCCc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510002 860048514 /nfs/dbraw/zinc/04/85/14/860048514.db2.gz ISJUUBNOTUONSW-UHFFFAOYSA-N 1 0 390.531 3.797 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@@H]3C3CCCC3)CC2)c1 ZINC000593511455 860072824 /nfs/dbraw/zinc/07/28/24/860072824.db2.gz ZMNBDXBKBXTSRA-JOCHJYFZSA-N 1 0 380.536 3.887 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000602548123 860095023 /nfs/dbraw/zinc/09/50/23/860095023.db2.gz WWTHXZANJOIIQR-IRXDYDNUSA-N 1 0 377.479 3.618 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)NCc2cccc(C#N)c2)ccc1OC ZINC000154406939 860101101 /nfs/dbraw/zinc/10/11/01/860101101.db2.gz CLTOMFJCJHZKBM-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO CCC[C@@]1(COC)CCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593514152 860101299 /nfs/dbraw/zinc/10/12/99/860101299.db2.gz RLDIEWIUPKPCNC-QHCPKHFHSA-N 1 0 398.551 3.513 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000602534803 860103433 /nfs/dbraw/zinc/10/34/33/860103433.db2.gz RMJDHSRSOFPUNV-HZPDHXFCSA-N 1 0 396.354 3.553 20 30 GHEDRO O=C1CC2(CCCCC2)CC(=O)C1=CNNc1ccc(Br)c[nH+]1 ZINC000727490695 860107094 /nfs/dbraw/zinc/10/70/94/860107094.db2.gz VAKSKIAREITZHS-UHFFFAOYSA-N 1 0 378.270 3.527 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000602557352 860109369 /nfs/dbraw/zinc/10/93/69/860109369.db2.gz ZPTSKTASUOOHFH-UXHICEINSA-N 1 0 385.552 3.575 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@@H](C)CCC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000602558385 860109423 /nfs/dbraw/zinc/10/94/23/860109423.db2.gz PPESHGBVBBGJID-KKSFZXQISA-N 1 0 386.517 3.718 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)CC2)nc1 ZINC000092854526 860147719 /nfs/dbraw/zinc/14/77/19/860147719.db2.gz CPTJJBYDKQLBEG-UHFFFAOYSA-N 1 0 391.450 3.962 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@H]1C ZINC000484600884 860160055 /nfs/dbraw/zinc/16/00/55/860160055.db2.gz FJAGCKQMFMAQHE-CRAIPNDOSA-N 1 0 397.548 3.942 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000123950591 860162927 /nfs/dbraw/zinc/16/29/27/860162927.db2.gz FTACIBASBPCPBQ-UHFFFAOYSA-N 1 0 393.878 3.823 20 30 GHEDRO COc1ccccc1C[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499912789 860173442 /nfs/dbraw/zinc/17/34/42/860173442.db2.gz KZYPUWYYSSJCKP-LJQANCHMSA-N 1 0 393.531 3.726 20 30 GHEDRO Cc1cc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)ccc1I ZINC000602649725 860179922 /nfs/dbraw/zinc/17/99/22/860179922.db2.gz XUFICTOCYMAPOW-AWEZNQCLSA-N 1 0 398.288 3.788 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484628491 860202566 /nfs/dbraw/zinc/20/25/66/860202566.db2.gz HUKIWTKEHAVGBB-HDICACEKSA-N 1 0 391.556 3.616 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000508947280 860217175 /nfs/dbraw/zinc/21/71/75/860217175.db2.gz WRLXUNPPRJXRGK-UHFFFAOYSA-N 1 0 376.508 3.560 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000328744267 860224088 /nfs/dbraw/zinc/22/40/88/860224088.db2.gz NVNQFYSYDVAWSM-HNNXBMFYSA-N 1 0 384.911 3.981 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000328744268 860224288 /nfs/dbraw/zinc/22/42/88/860224288.db2.gz NVNQFYSYDVAWSM-OAHLLOKOSA-N 1 0 384.911 3.981 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C2)CC1 ZINC000328779772 860233027 /nfs/dbraw/zinc/23/30/27/860233027.db2.gz MEFSODSWXXYKEY-OAHLLOKOSA-N 1 0 386.446 3.876 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000668369712 860266477 /nfs/dbraw/zinc/26/64/77/860266477.db2.gz BWBUBTJBEITISL-UHFFFAOYSA-N 1 0 378.516 3.965 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508956291 860272864 /nfs/dbraw/zinc/27/28/64/860272864.db2.gz OOWWPQANGGYLQG-VXKWHMMOSA-N 1 0 391.563 3.908 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000484690574 860275749 /nfs/dbraw/zinc/27/57/49/860275749.db2.gz PLOAUUONJWWBDV-UYAOXDASSA-N 1 0 397.519 3.695 20 30 GHEDRO COc1ccc(CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC(C)C)cc1OC ZINC000093479428 860284195 /nfs/dbraw/zinc/28/41/95/860284195.db2.gz LCFDTIXPPOSHOO-UHFFFAOYSA-N 1 0 392.503 3.924 20 30 GHEDRO C[NH+]1CCC(n2cc(NC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cn2)CC1 ZINC000602871425 860328631 /nfs/dbraw/zinc/32/86/31/860328631.db2.gz QZLYPKPHKUDNEI-UHFFFAOYSA-N 1 0 392.385 3.684 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000329457420 860366066 /nfs/dbraw/zinc/36/60/66/860366066.db2.gz QQZQTUXJRHGHAR-LAUBAEHRSA-N 1 0 376.460 3.908 20 30 GHEDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000602955255 860380503 /nfs/dbraw/zinc/38/05/03/860380503.db2.gz HXTFYTDVLSVIJO-CYBMUJFWSA-N 1 0 397.504 3.672 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCC[N@H+](CC4CC4)C3)cc2)nc1 ZINC000598562578 860398503 /nfs/dbraw/zinc/39/85/03/860398503.db2.gz WUFXQUOGARQKNU-LJQANCHMSA-N 1 0 390.487 3.597 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000329833241 860442055 /nfs/dbraw/zinc/44/20/55/860442055.db2.gz UEDYZHCZZDILQW-XCLNPWKQSA-N 1 0 380.492 3.760 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000329833223 860442260 /nfs/dbraw/zinc/44/22/60/860442260.db2.gz UEDYZHCZZDILQW-NMLACTOBSA-N 1 0 380.492 3.760 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)CC1 ZINC000729957544 860472843 /nfs/dbraw/zinc/47/28/43/860472843.db2.gz OCHGYXVQPRBZJN-UHFFFAOYSA-N 1 0 376.435 3.653 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508995877 860476935 /nfs/dbraw/zinc/47/69/35/860476935.db2.gz DWPUNSVRRKJPMY-FHWLQOOXSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)CC1 ZINC000729978513 860481110 /nfs/dbraw/zinc/48/11/10/860481110.db2.gz QAFVUVIEVPMDNT-UHFFFAOYSA-N 1 0 395.478 3.767 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000509003106 860497507 /nfs/dbraw/zinc/49/75/07/860497507.db2.gz UYNFDHUJAKUNHV-MJGOQNOKSA-N 1 0 383.565 3.570 20 30 GHEDRO CC(C)([NH3+])c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000904577860 860507036 /nfs/dbraw/zinc/50/70/36/860507036.db2.gz SPDXPQMODJHOSW-UHFFFAOYSA-N 1 0 378.476 3.827 20 30 GHEDRO CCC[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000061001659 860526045 /nfs/dbraw/zinc/52/60/45/860526045.db2.gz MNSYBRDDWGXDPF-UHFFFAOYSA-N 1 0 393.409 3.954 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000509012227 860541210 /nfs/dbraw/zinc/54/12/10/860541210.db2.gz PFGCBAQCFGYMGE-SFHVURJKSA-N 1 0 392.551 3.791 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2cnc(C#N)cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125014283 860557651 /nfs/dbraw/zinc/55/76/51/860557651.db2.gz PVWPDGNOXLLVRB-KDOFPFPSSA-N 1 0 375.398 3.862 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]([NH2+]C(C)C)c2ccc(OC)cc2)c1 ZINC000896363335 860674680 /nfs/dbraw/zinc/67/46/80/860674680.db2.gz WKBQXOTYLKOGDR-UGKGYDQZSA-N 1 0 395.503 3.732 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156174108 860703597 /nfs/dbraw/zinc/70/35/97/860703597.db2.gz XCCGNWYGXLSHSZ-XMSQKQJNSA-N 1 0 376.504 3.753 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(Cn4cnnc4)CC3)c2)c1 ZINC000593675888 860788883 /nfs/dbraw/zinc/78/88/83/860788883.db2.gz COBKDNMATXDJAB-UHFFFAOYSA-N 1 0 387.487 3.641 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(-c2ccccc2)n1 ZINC000593692357 860852541 /nfs/dbraw/zinc/85/25/41/860852541.db2.gz DEVXHNUZRUEGLB-UHFFFAOYSA-N 1 0 385.515 3.713 20 30 GHEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693174 860903793 /nfs/dbraw/zinc/90/37/93/860903793.db2.gz RLNVAJGKGPZSRV-CJFMBICVSA-N 1 0 388.559 3.948 20 30 GHEDRO Fc1cccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1OCC(F)(F)F ZINC000623361882 860922300 /nfs/dbraw/zinc/92/23/00/860922300.db2.gz VBCNQNBQNDXQLY-NSHDSACASA-N 1 0 388.327 3.741 20 30 GHEDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593719293 860978906 /nfs/dbraw/zinc/97/89/06/860978906.db2.gz BCWRWNSWBYXPHE-IFMALSPDSA-N 1 0 377.536 3.572 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000329073477 860996054 /nfs/dbraw/zinc/99/60/54/860996054.db2.gz OVCAPRMIQBRVTI-QYZOEREBSA-N 1 0 380.444 3.508 20 30 GHEDRO C=CCOc1c(Cl)cc(CNCc2nccn2CC(F)(F)F)cc1OC ZINC000623399317 860999477 /nfs/dbraw/zinc/99/94/77/860999477.db2.gz GIFIDYWQAQSOPY-UHFFFAOYSA-N 1 0 389.805 3.962 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)CCOCC1 ZINC000599286314 861014011 /nfs/dbraw/zinc/01/40/11/861014011.db2.gz GZJPABHMLZYCQP-GGAORHGYSA-N 1 0 376.500 3.705 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000593723530 861022220 /nfs/dbraw/zinc/02/22/20/861022220.db2.gz XEWDRYLHNOBMPW-QGZVFWFLSA-N 1 0 388.515 3.758 20 30 GHEDRO Cc1nc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)ccc1C#N ZINC000603694400 861029959 /nfs/dbraw/zinc/02/99/59/861029959.db2.gz FOOFXHXDMHBDLI-IAGOWNOFSA-N 1 0 376.504 3.670 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CCOCC1 ZINC000599299356 861040977 /nfs/dbraw/zinc/04/09/77/861040977.db2.gz DTOWETGNKAUUGQ-DHIUTWEWSA-N 1 0 376.500 3.857 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1OC1CC1 ZINC000600111436 861043011 /nfs/dbraw/zinc/04/30/11/861043011.db2.gz NGFMVCMGIJWYIP-UHFFFAOYSA-N 1 0 377.488 3.820 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1cccc(C#N)c1 ZINC000599349707 861087750 /nfs/dbraw/zinc/08/77/50/861087750.db2.gz QOKQDKSVHJLCEM-SGTLLEGYSA-N 1 0 384.277 3.925 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1Br ZINC000599354818 861096262 /nfs/dbraw/zinc/09/62/62/861096262.db2.gz RKGHCTAWFNIMEP-HNNXBMFYSA-N 1 0 389.293 3.585 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccccc1 ZINC000329199231 861127892 /nfs/dbraw/zinc/12/78/92/861127892.db2.gz AWNPQKOLXNQIGX-DKICVRJWSA-N 1 0 375.538 3.526 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3cc(Br)cc(C)c3o2)CC1 ZINC000179376639 861161830 /nfs/dbraw/zinc/16/18/30/861161830.db2.gz RXCHRNWRMSEBDJ-UHFFFAOYSA-N 1 0 377.282 3.884 20 30 GHEDRO C#CCC1(C(=O)N2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)CCCCC1 ZINC000856650107 881624415 /nfs/dbraw/zinc/62/44/15/881624415.db2.gz LWWJKUPNWWPQJG-QFIPXVFZSA-N 1 0 397.563 3.875 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3nc4ccccc4s3)CC2)c1 ZINC000593886500 863103650 /nfs/dbraw/zinc/10/36/50/863103650.db2.gz OVFPHQMQYPUKHI-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000733744195 863139648 /nfs/dbraw/zinc/13/96/48/863139648.db2.gz CBZUIRFIRDPHQS-AEFFLSMTSA-N 1 0 381.524 3.859 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000733804015 863171504 /nfs/dbraw/zinc/17/15/04/863171504.db2.gz VLCNLHKJOUGEGS-UYAOXDASSA-N 1 0 386.540 3.679 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000733800275 863191858 /nfs/dbraw/zinc/19/18/58/863191858.db2.gz KOTHNECLDWRECX-LJQANCHMSA-N 1 0 388.389 3.613 20 30 GHEDRO CC[C@H](Cc1ccc2c(c1)OCO2)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001170419935 881641668 /nfs/dbraw/zinc/64/16/68/881641668.db2.gz JJFDODZNOFSKEW-OAQYLSRUSA-N 1 0 391.515 3.884 20 30 GHEDRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000593963891 863551561 /nfs/dbraw/zinc/55/15/61/863551561.db2.gz SSEHWAJRVOSLAH-QFIPXVFZSA-N 1 0 377.488 3.902 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000444163397 863580379 /nfs/dbraw/zinc/58/03/79/863580379.db2.gz CLPUDPCIMWFCBO-QZTJIDSGSA-N 1 0 388.581 3.683 20 30 GHEDRO COc1ccc2c(c1)[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CCC2 ZINC000593974201 863588303 /nfs/dbraw/zinc/58/83/03/863588303.db2.gz SSMVVEYSYSFYRI-QFIPXVFZSA-N 1 0 391.515 3.577 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1C#N ZINC000444171875 863591029 /nfs/dbraw/zinc/59/10/29/863591029.db2.gz QGMYWTISDLVCPC-IBGZPJMESA-N 1 0 399.583 3.836 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)c(OC)c1 ZINC000606449779 863625486 /nfs/dbraw/zinc/62/54/86/863625486.db2.gz DLHUIEIOGKEORH-JXFKEZNVSA-N 1 0 385.479 3.922 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000120592698 881681635 /nfs/dbraw/zinc/68/16/35/881681635.db2.gz IZQSEYYKWPLPCB-UHFFFAOYSA-N 1 0 385.430 3.767 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000444210447 863669274 /nfs/dbraw/zinc/66/92/74/863669274.db2.gz FPBQRVDYSPMWRC-FGZHOGPDSA-N 1 0 396.579 3.746 20 30 GHEDRO CCc1csc(CC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)n1 ZINC000594020198 863761335 /nfs/dbraw/zinc/76/13/35/863761335.db2.gz WJOOOUBCKJLRLB-UHFFFAOYSA-N 1 0 382.533 3.860 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629728 881696761 /nfs/dbraw/zinc/69/67/61/881696761.db2.gz YUAYYIYWOFNRFV-QGZVFWFLSA-N 1 0 385.475 3.802 20 30 GHEDRO C[N@@H+]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](c2ccccc2)C1 ZINC000444307708 863851542 /nfs/dbraw/zinc/85/15/42/863851542.db2.gz ARGKXSFADCORLO-IFMALSPDSA-N 1 0 386.499 3.773 20 30 GHEDRO C=CCCCCC[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000606902285 863926349 /nfs/dbraw/zinc/92/63/49/863926349.db2.gz VIYGLNCPDBSRDK-QGZVFWFLSA-N 1 0 397.441 3.971 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734105876 863995536 /nfs/dbraw/zinc/99/55/36/863995536.db2.gz HUHONCCMXHXBKO-IBGZPJMESA-N 1 0 388.471 3.645 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c(OC)c1 ZINC000554264157 864007044 /nfs/dbraw/zinc/00/70/44/864007044.db2.gz IPXZHJVHMIIHMI-WMQCIHAUSA-N 1 0 382.504 3.642 20 30 GHEDRO COc1ccccc1N1CC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000262420650 864009612 /nfs/dbraw/zinc/00/96/12/864009612.db2.gz AYPVUZHMGACQNV-KRWDZBQOSA-N 1 0 378.520 3.827 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480090518 864018183 /nfs/dbraw/zinc/01/81/83/864018183.db2.gz COUZSTXWBYTSEN-AZUAARDMSA-N 1 0 377.488 3.820 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000734159549 864038265 /nfs/dbraw/zinc/03/82/65/864038265.db2.gz QCCFACGHLLDOJE-UHFFFAOYSA-N 1 0 379.460 3.887 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734300279 864134796 /nfs/dbraw/zinc/13/47/96/864134796.db2.gz NLZIQRKAUDZFTH-ICSRJNTNSA-N 1 0 378.472 3.781 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000594068513 864153120 /nfs/dbraw/zinc/15/31/20/864153120.db2.gz MHZROZAOJXJYAZ-IZAXUBKRSA-N 1 0 396.466 3.738 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3cc(OCc4ccccc4)ccc32)CC1 ZINC000734343525 864181609 /nfs/dbraw/zinc/18/16/09/864181609.db2.gz ZRJOEZACWXEOQH-UHFFFAOYSA-N 1 0 388.511 3.890 20 30 GHEDRO C=CCC1(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCC1 ZINC000480173292 864192050 /nfs/dbraw/zinc/19/20/50/864192050.db2.gz QGCPIFLHGKJDGK-UHFFFAOYSA-N 1 0 375.944 3.715 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2)CC1 ZINC000792843404 881747897 /nfs/dbraw/zinc/74/78/97/881747897.db2.gz YQHYTRYBJJZDPN-HXUWFJFHSA-N 1 0 376.504 3.855 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1Cc3ccccc3C3(CC3)C1)CCC2 ZINC000186180921 864429198 /nfs/dbraw/zinc/42/91/98/864429198.db2.gz RMGPGGWJZQONHP-UHFFFAOYSA-N 1 0 377.513 3.984 20 30 GHEDRO CC[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CC[C@H](c2ccccc2)C1 ZINC000262447625 864468034 /nfs/dbraw/zinc/46/80/34/864468034.db2.gz JCSFPWVEIYYXLD-NRFANRHFSA-N 1 0 388.519 3.531 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734843265 864472283 /nfs/dbraw/zinc/47/22/83/864472283.db2.gz IJNZRILSCQUBCF-NIKGAXFTSA-N 1 0 378.394 3.602 20 30 GHEDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455944925 864514814 /nfs/dbraw/zinc/51/48/14/864514814.db2.gz NNZPPKWXFDJTJU-UHFFFAOYSA-N 1 0 398.532 3.799 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2Oc2ccc(OCCC)cc2)CC1 ZINC000735016761 864578150 /nfs/dbraw/zinc/57/81/50/864578150.db2.gz LBYZTVSVBKYUFS-XZOQPEGZSA-N 1 0 398.547 3.627 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000567404324 864659206 /nfs/dbraw/zinc/65/92/06/864659206.db2.gz ABXGQKHFYFUJCU-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO Cc1csc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C#N ZINC000594103724 864677418 /nfs/dbraw/zinc/67/74/18/864677418.db2.gz IGQRNLYUMGSOPM-UHFFFAOYSA-N 1 0 379.489 3.586 20 30 GHEDRO N#CCOc1ccc(Cl)cc1CN1CC[NH+](CCc2cccs2)CC1 ZINC000735308738 864734331 /nfs/dbraw/zinc/73/43/31/864734331.db2.gz QUVDWETUXRKNBP-UHFFFAOYSA-N 1 0 375.925 3.664 20 30 GHEDRO CC(C)[C@@H](NC(=O)C[NH+]1CCC(CCC#N)CC1)c1ccc2c(c1)OCCCO2 ZINC000567467723 865053236 /nfs/dbraw/zinc/05/32/36/865053236.db2.gz LIGJJWZSUWSXRM-HSZRJFAPSA-N 1 0 399.535 3.677 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000129744788 865066554 /nfs/dbraw/zinc/06/65/54/865066554.db2.gz IASGODUIMGZUME-UHFFFAOYSA-N 1 0 381.476 3.580 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184982171 865101905 /nfs/dbraw/zinc/10/19/05/865101905.db2.gz PZOIGFXNNITZDS-FQEVSTJZSA-N 1 0 396.537 3.967 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184979373 865101955 /nfs/dbraw/zinc/10/19/55/865101955.db2.gz OGALQUNPTIMYPU-HXUWFJFHSA-N 1 0 396.537 3.967 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000120901050 881837226 /nfs/dbraw/zinc/83/72/26/881837226.db2.gz IBTNNNZSWROQLZ-NRFANRHFSA-N 1 0 379.504 3.553 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(CC#N)c1)c1cccc(OC)c1 ZINC000455953954 865148391 /nfs/dbraw/zinc/14/83/91/865148391.db2.gz VFKHQQKWMCBLQO-NRFANRHFSA-N 1 0 380.492 3.966 20 30 GHEDRO C=CC[NH+]1CCC(Nc2nc(CN3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000301154823 865192991 /nfs/dbraw/zinc/19/29/91/865192991.db2.gz CNBQHFWQNYDWRF-UHFFFAOYSA-N 1 0 385.581 3.966 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000554957909 865243204 /nfs/dbraw/zinc/24/32/04/865243204.db2.gz FZPKYJMTBRZUAL-KGLIPLIRSA-N 1 0 388.327 3.514 20 30 GHEDRO Cc1nc(SCC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(C#N)c(C)c1C ZINC000063804400 865406731 /nfs/dbraw/zinc/40/67/31/865406731.db2.gz BZZVEJYNVDFLRP-LJQANCHMSA-N 1 0 388.581 3.597 20 30 GHEDRO C=CCCS(=O)(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000480938119 865560993 /nfs/dbraw/zinc/56/09/93/865560993.db2.gz XJRIGXZLCVTTQA-UHFFFAOYSA-N 1 0 379.353 3.653 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CCCOc3cccc(C#N)c3)CCN2C2CC2)c1 ZINC000555127133 865571430 /nfs/dbraw/zinc/57/14/30/865571430.db2.gz ASCVFQRHTASLIK-DNQXCXABSA-N 1 0 391.515 3.903 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1ccc(C#N)cc1 ZINC000151867572 865681954 /nfs/dbraw/zinc/68/19/54/865681954.db2.gz FVEXCIWARFEYKG-JOCHJYFZSA-N 1 0 391.515 3.710 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555256484 865785928 /nfs/dbraw/zinc/78/59/28/865785928.db2.gz JOIGRRGXNGMPIY-NRFANRHFSA-N 1 0 379.552 3.818 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c1=S ZINC000739876479 865808348 /nfs/dbraw/zinc/80/83/48/865808348.db2.gz SUMNMKAFXWYJNC-HXUWFJFHSA-N 1 0 397.592 3.566 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740480026 865940186 /nfs/dbraw/zinc/94/01/86/865940186.db2.gz JZYKVGFYPIOXSF-UHFFFAOYSA-N 1 0 382.533 3.818 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)CC1 ZINC000740736518 865973665 /nfs/dbraw/zinc/97/36/65/865973665.db2.gz XQOFYXDKTIFVKH-UHFFFAOYSA-N 1 0 399.585 3.961 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)CC1 ZINC000740736597 865974817 /nfs/dbraw/zinc/97/48/17/865974817.db2.gz BWTXHIOXXDNKGU-UHFFFAOYSA-N 1 0 395.450 3.841 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000456003497 865978638 /nfs/dbraw/zinc/97/86/38/865978638.db2.gz NLLBBENTXDAMGM-GOSISDBHSA-N 1 0 392.503 3.888 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456031356 866011387 /nfs/dbraw/zinc/01/13/87/866011387.db2.gz WDKJZRDZLOIFPE-VXKWHMMOSA-N 1 0 390.531 3.673 20 30 GHEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000020937023 866089429 /nfs/dbraw/zinc/08/94/29/866089429.db2.gz VRCARNWKYTVEJC-DEOSSOPVSA-N 1 0 392.547 3.508 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CCC[NH2+]CC3)c2)cc1 ZINC001204683900 866112057 /nfs/dbraw/zinc/11/20/57/866112057.db2.gz CXMIMKARCPYSSN-UHFFFAOYSA-N 1 0 386.293 3.908 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H]1[NH+](C)C ZINC000534091473 866117942 /nfs/dbraw/zinc/11/79/42/866117942.db2.gz GYAAGMPDBHGFAA-YLJYHZDGSA-N 1 0 397.569 3.827 20 30 GHEDRO [NH2+]=C(NCc1ccc(Oc2cccnc2)c(F)c1)N[C@H]1CCOc2ccccc21 ZINC000304525380 866500387 /nfs/dbraw/zinc/50/03/87/866500387.db2.gz ZDWRIJUQMYAHAS-IBGZPJMESA-N 1 0 392.434 3.941 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)CCCNC(=[NH2+])NC2CCCCCC2)cc1 ZINC000305747407 866637184 /nfs/dbraw/zinc/63/71/84/866637184.db2.gz SBCVWQNCTTURRE-KRWDZBQOSA-N 1 0 388.556 3.670 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000113321711 866755917 /nfs/dbraw/zinc/75/59/17/866755917.db2.gz CIGNARCSMGPSSI-UHFFFAOYSA-N 1 0 380.463 3.622 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000741790574 866793225 /nfs/dbraw/zinc/79/32/25/866793225.db2.gz HODPRLTYQBOLKV-QUCCMNQESA-N 1 0 382.467 3.788 20 30 GHEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccsc2S1 ZINC000190615434 882018217 /nfs/dbraw/zinc/01/82/17/882018217.db2.gz RDNPPOATTSICEQ-VHSSKADRSA-N 1 0 383.542 3.936 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508834534 867018253 /nfs/dbraw/zinc/01/82/53/867018253.db2.gz VDOCXDPVBOLMHF-UHFFFAOYSA-N 1 0 388.519 3.744 20 30 GHEDRO N#CC(CC[NH+]1CCC(CCC(N)=O)CC1)(c1ccccc1)c1ccccc1 ZINC000444691158 867071187 /nfs/dbraw/zinc/07/11/87/867071187.db2.gz XFEMZOKMGXTKHA-UHFFFAOYSA-N 1 0 375.516 3.864 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)N2CCCCC2)cc1 ZINC000742366342 867238628 /nfs/dbraw/zinc/23/86/28/867238628.db2.gz WYYRMPDIKALHAP-JOCHJYFZSA-N 1 0 379.504 3.892 20 30 GHEDRO COc1ccc(C[NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)cc1C#N ZINC000742367847 867240099 /nfs/dbraw/zinc/24/00/99/867240099.db2.gz LVJZEKLKLYUBGD-UHFFFAOYSA-N 1 0 380.488 3.722 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2=O)cc1OC ZINC000742380910 867248958 /nfs/dbraw/zinc/24/89/58/867248958.db2.gz SAEOKUFYAAZHEN-HXUWFJFHSA-N 1 0 380.488 3.854 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000742373542 867267952 /nfs/dbraw/zinc/26/79/52/867267952.db2.gz ZPYTWPZKZYPJLN-UHFFFAOYSA-N 1 0 384.785 3.934 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429792836 867310173 /nfs/dbraw/zinc/31/01/73/867310173.db2.gz VDXIREYHQBWGPR-PZJWPPBQSA-N 1 0 393.934 3.793 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1-n1nc(C)nc1C)C(C)C ZINC000534752372 867373169 /nfs/dbraw/zinc/37/31/69/867373169.db2.gz XDTDTMKZYLIXQV-OAQYLSRUSA-N 1 0 396.539 3.704 20 30 GHEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000121509799 867386008 /nfs/dbraw/zinc/38/60/08/867386008.db2.gz XYEHLUDQEKQMKV-HNNXBMFYSA-N 1 0 382.357 3.588 20 30 GHEDRO Cc1nc2ccccc2cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479255146 867433608 /nfs/dbraw/zinc/43/36/08/867433608.db2.gz XRHHJTIDJZDRRJ-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO N#C[C@@H](COC(=O)c1ccc2c[nH+]cn2c1)Cc1cccc(Br)c1 ZINC000793304303 882083717 /nfs/dbraw/zinc/08/37/17/882083717.db2.gz JWBXEDGNKUPLKN-AWEZNQCLSA-N 1 0 384.233 3.636 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)nc1 ZINC000428771747 867508351 /nfs/dbraw/zinc/50/83/51/867508351.db2.gz IZGPDPCLSIFQRE-HXUWFJFHSA-N 1 0 395.466 3.921 20 30 GHEDRO N#Cc1cnc2c(Br)cccc2c1N1CCC([NH+]2CCCC2)CC1 ZINC000440649697 867718188 /nfs/dbraw/zinc/71/81/88/867718188.db2.gz YXLXHQHPXYCNFZ-UHFFFAOYSA-N 1 0 385.309 3.934 20 30 GHEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+](C2CCCC2)CC1 ZINC000440662534 867795631 /nfs/dbraw/zinc/79/56/31/867795631.db2.gz SKVAZEKPIWPPSJ-UHFFFAOYSA-N 1 0 385.309 3.934 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021404717 867827378 /nfs/dbraw/zinc/82/73/78/867827378.db2.gz INQUXJKXDAYCQU-QGZVFWFLSA-N 1 0 396.922 3.747 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@@H]2C(C)C)c1=S ZINC000920484513 882127007 /nfs/dbraw/zinc/12/70/07/882127007.db2.gz GDUKVCKFUNEABK-GOSISDBHSA-N 1 0 377.602 3.706 20 30 GHEDRO COc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1OCCCC#N ZINC000154481348 867943742 /nfs/dbraw/zinc/94/37/42/867943742.db2.gz CEFFIBAXWXWVDK-UHFFFAOYSA-N 1 0 379.504 3.696 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000479534489 867958706 /nfs/dbraw/zinc/95/87/06/867958706.db2.gz TWRIACYKHVTYIL-INIZCTEOSA-N 1 0 381.476 3.533 20 30 GHEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000163244089 868078093 /nfs/dbraw/zinc/07/80/93/868078093.db2.gz MGLUYOVSDHCWMR-RBUKOAKNSA-N 1 0 377.916 3.521 20 30 GHEDRO CCC[N@H+](Cc1cccc(F)c1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000428400847 868271785 /nfs/dbraw/zinc/27/17/85/868271785.db2.gz LZGBCXSJJGQVFS-UHFFFAOYSA-N 1 0 381.499 3.985 20 30 GHEDRO COc1ccc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OCCCC#N ZINC000155214377 868342358 /nfs/dbraw/zinc/34/23/58/868342358.db2.gz POGNPTIWTQRYNG-NRFANRHFSA-N 1 0 379.504 3.866 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000457486901 868346428 /nfs/dbraw/zinc/34/64/28/868346428.db2.gz QDQBDZMEZJCGLB-VXKWHMMOSA-N 1 0 378.520 3.894 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000609072346 868442648 /nfs/dbraw/zinc/44/26/48/868442648.db2.gz MPADXDYFIHKTJZ-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO Cc1cc(C)c(C#N)c(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)n1 ZINC000524129540 868605404 /nfs/dbraw/zinc/60/54/04/868605404.db2.gz BHUGQTJEGDJHRI-UHFFFAOYSA-N 1 0 394.519 3.672 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)ccc1C#N ZINC000440804335 868645530 /nfs/dbraw/zinc/64/55/30/868645530.db2.gz HTDNBJNIMDONII-UHFFFAOYSA-N 1 0 389.455 3.709 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000158339204 868924202 /nfs/dbraw/zinc/92/42/02/868924202.db2.gz RBRDJYLUKCZMCG-UHFFFAOYSA-N 1 0 375.822 3.948 20 30 GHEDRO CC1(C)C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC(C)(C)O1 ZINC000442887329 868993828 /nfs/dbraw/zinc/99/38/28/868993828.db2.gz XSXJNDGGKQTERU-UHFFFAOYSA-N 1 0 375.538 3.717 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2CCc2ccccc2)cc1 ZINC000535576764 869031470 /nfs/dbraw/zinc/03/14/70/869031470.db2.gz RTLFLPCENXJQLW-NRFANRHFSA-N 1 0 382.529 3.819 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000524416426 869041359 /nfs/dbraw/zinc/04/13/59/869041359.db2.gz BZUBXHHBFWTAJR-IRXDYDNUSA-N 1 0 381.476 3.580 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 ZINC000539496232 869219574 /nfs/dbraw/zinc/21/95/74/869219574.db2.gz JJOTVHFQMJTKCQ-GOEBONIOSA-N 1 0 378.394 3.959 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000539509982 869273579 /nfs/dbraw/zinc/27/35/79/869273579.db2.gz MDBIRCYJBYYSMA-SCLBCKFNSA-N 1 0 389.377 3.913 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000539623970 869484485 /nfs/dbraw/zinc/48/44/85/869484485.db2.gz ZJEUPYZUFYFPTK-JOCHJYFZSA-N 1 0 391.515 3.681 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000793605345 882310906 /nfs/dbraw/zinc/31/09/06/882310906.db2.gz PWDSONWBXQEWIH-HSZRJFAPSA-N 1 0 398.551 3.869 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1CCC(C)CC1 ZINC000065409314 869665369 /nfs/dbraw/zinc/66/53/69/869665369.db2.gz YGALWKYOVRZMME-AWEZNQCLSA-N 1 0 398.429 3.741 20 30 GHEDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000441014782 869794265 /nfs/dbraw/zinc/79/42/65/869794265.db2.gz JQZSTJPNLJAQGN-KUHUBIRLSA-N 1 0 395.528 3.761 20 30 GHEDRO C=CC[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000745826444 869847847 /nfs/dbraw/zinc/84/78/47/869847847.db2.gz VBWAGEZWOJBYSX-IRLDBZIGSA-N 1 0 378.520 3.862 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000746055924 869986491 /nfs/dbraw/zinc/98/64/91/869986491.db2.gz KZJJLIPPBPXPHR-UHFFFAOYSA-N 1 0 390.447 3.841 20 30 GHEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C1 ZINC000525181548 870121605 /nfs/dbraw/zinc/12/16/05/870121605.db2.gz DNBDCGDWQMONGQ-QGZVFWFLSA-N 1 0 377.554 3.527 20 30 GHEDRO Cc1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)ccc1-n1cncn1 ZINC000525196175 870149780 /nfs/dbraw/zinc/14/97/80/870149780.db2.gz HWWIZCNUFRCWQD-UHFFFAOYSA-N 1 0 387.487 3.927 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(Cl)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000538700714 870333886 /nfs/dbraw/zinc/33/38/86/870333886.db2.gz ZVDOSFAMQVIZJD-SFTDATJTSA-N 1 0 395.890 3.928 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccsc1 ZINC000609108229 870442663 /nfs/dbraw/zinc/44/26/63/870442663.db2.gz VBUQUTOHUBWNFB-RTWAWAEBSA-N 1 0 396.560 3.788 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@H]1C ZINC000525395746 870608939 /nfs/dbraw/zinc/60/89/39/870608939.db2.gz DTPFAVNLKKUQJX-SJLPKXTDSA-N 1 0 381.476 3.675 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000525406719 870638112 /nfs/dbraw/zinc/63/81/12/870638112.db2.gz BIKKSBXGQDHSNX-KRWDZBQOSA-N 1 0 397.544 3.577 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC001192768912 870652452 /nfs/dbraw/zinc/65/24/52/870652452.db2.gz CDUOGQACDJJCED-FQEVSTJZSA-N 1 0 399.498 3.661 20 30 GHEDRO CC(C)(C)c1cnc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001192804175 870682700 /nfs/dbraw/zinc/68/27/00/870682700.db2.gz WKTYGQSVHZKRQQ-WGSAOQKQSA-N 1 0 391.519 3.558 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cc1OCCCO ZINC000463038633 870721719 /nfs/dbraw/zinc/72/17/19/870721719.db2.gz YNCFIHQMRYDYDW-LBPRGKRZSA-N 1 0 395.322 3.994 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000249048186 870734929 /nfs/dbraw/zinc/73/49/29/870734929.db2.gz NWVWLZHWDSAABH-JHVJFLLYSA-N 1 0 399.441 3.720 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001192926776 870790690 /nfs/dbraw/zinc/79/06/90/870790690.db2.gz PQUVRGAMUDJEEZ-RBBKRZOGSA-N 1 0 397.604 3.506 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766452127 870792632 /nfs/dbraw/zinc/79/26/32/870792632.db2.gz KVGCKKCBOLUFHB-SJORKVTESA-N 1 0 396.466 3.855 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000766492765 870818167 /nfs/dbraw/zinc/81/81/67/870818167.db2.gz WIAZVYOCNYJJKR-DZGCQCFKSA-N 1 0 387.842 3.665 20 30 GHEDRO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428804947 870876530 /nfs/dbraw/zinc/87/65/30/870876530.db2.gz MFSHDMGPPRNDLE-MRXNPFEDSA-N 1 0 391.427 3.529 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168828813 870883381 /nfs/dbraw/zinc/88/33/81/870883381.db2.gz KAXFNWTYAQQITD-LAUBAEHRSA-N 1 0 398.551 3.510 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1OC ZINC000249845407 870920843 /nfs/dbraw/zinc/92/08/43/870920843.db2.gz OHGPGPNDYYEDDF-IMJJTQAJSA-N 1 0 382.298 3.680 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](c3ccco3)N3CCCCC3)CC2)cc1 ZINC000181398610 870974207 /nfs/dbraw/zinc/97/42/07/870974207.db2.gz FDXXNJRSNAYPLM-HSZRJFAPSA-N 1 0 392.547 3.932 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000540309816 870984427 /nfs/dbraw/zinc/98/44/27/870984427.db2.gz XDKQSJYWHHETIM-IBGZPJMESA-N 1 0 376.504 3.755 20 30 GHEDRO N#Cc1nnc2ccccc2c1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000540332407 870997396 /nfs/dbraw/zinc/99/73/96/870997396.db2.gz AJAZMPVIQUTSTN-UHFFFAOYSA-N 1 0 387.487 3.631 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)c1C#N ZINC000540323052 871013624 /nfs/dbraw/zinc/01/36/24/871013624.db2.gz ZYIOOEFQLBLYIL-KRWDZBQOSA-N 1 0 388.471 3.909 20 30 GHEDRO Cc1cccc(N2CCN(CCC[NH2+][C@@H](C)c3ccc(OCC#N)cc3)CC2)c1 ZINC000181441378 871017074 /nfs/dbraw/zinc/01/70/74/871017074.db2.gz WMEYVAQINSBPLW-NRFANRHFSA-N 1 0 392.547 3.760 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000540355349 871054726 /nfs/dbraw/zinc/05/47/26/871054726.db2.gz YPCICVUKNVMTCB-QYWGDWMGSA-N 1 0 375.513 3.578 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OC ZINC000540355339 871054797 /nfs/dbraw/zinc/05/47/97/871054797.db2.gz YPCICVUKNVMTCB-CKJXQJPGSA-N 1 0 375.513 3.578 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000766561331 871104405 /nfs/dbraw/zinc/10/44/05/871104405.db2.gz ZFJCTPGZMPTXQW-NQIIRXRSSA-N 1 0 394.515 3.641 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000475651059 871179578 /nfs/dbraw/zinc/17/95/78/871179578.db2.gz RRDAAOUXMLFNPA-HXUWFJFHSA-N 1 0 375.516 3.782 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc(C(F)(F)F)nc1C)C(C)C ZINC000461893876 871224762 /nfs/dbraw/zinc/22/47/62/871224762.db2.gz GQSJORQHSABPAG-CYBMUJFWSA-N 1 0 375.460 3.899 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000525694255 871255065 /nfs/dbraw/zinc/25/50/65/871255065.db2.gz JWEXQBYUDRMJQW-UHFFFAOYSA-N 1 0 392.427 3.911 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccccc1 ZINC000540425485 871258037 /nfs/dbraw/zinc/25/80/37/871258037.db2.gz SCDWZHQJBZLKGO-NRFANRHFSA-N 1 0 379.504 3.775 20 30 GHEDRO N#Cc1cccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC001193840264 871308933 /nfs/dbraw/zinc/30/89/33/871308933.db2.gz YARLNZYKQWGMNQ-DLBZAZTESA-N 1 0 384.785 3.587 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001193897558 871385433 /nfs/dbraw/zinc/38/54/33/871385433.db2.gz DKOUEXCOYVHWGX-SJORKVTESA-N 1 0 383.517 3.537 20 30 GHEDRO N#Cc1c(F)ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1N ZINC001169330024 871412828 /nfs/dbraw/zinc/41/28/28/871412828.db2.gz RVGSDILOBYIAQG-QGZVFWFLSA-N 1 0 378.451 3.520 20 30 GHEDRO C=CCN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[C@H](C)COC ZINC000667209919 871420066 /nfs/dbraw/zinc/42/00/66/871420066.db2.gz LNWNJGDHJSCBKI-OAHLLOKOSA-N 1 0 395.931 3.868 20 30 GHEDRO Cc1ccc(C(=Nc2ccc([C@H](CC[NH+](C)C)c3ccccn3)cc2)NO)nc1 ZINC001169412386 871498041 /nfs/dbraw/zinc/49/80/41/871498041.db2.gz YFPUIIZZAFKPAA-FQEVSTJZSA-N 1 0 389.503 3.926 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CCO)c2ccccc2)sc2c1CCCCC2 ZINC000539230671 871516982 /nfs/dbraw/zinc/51/69/82/871516982.db2.gz FQRQAZWSSDEQAY-LJQANCHMSA-N 1 0 397.544 3.931 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000525864837 871557858 /nfs/dbraw/zinc/55/78/58/871557858.db2.gz IONVMCQWKCLZRW-UHFFFAOYSA-N 1 0 392.459 3.787 20 30 GHEDRO COCCOc1cc(C)ccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181880675 871576860 /nfs/dbraw/zinc/57/68/60/871576860.db2.gz WAPLEDKUUYAFIF-UHFFFAOYSA-N 1 0 393.531 3.646 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C(N)=O)cc1 ZINC000463403153 871599826 /nfs/dbraw/zinc/59/98/26/871599826.db2.gz FPKVCSGTPNOHQT-DEOSSOPVSA-N 1 0 383.495 3.776 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000539279416 871628351 /nfs/dbraw/zinc/62/83/51/871628351.db2.gz PPAYBZCSSXEQTE-GOSISDBHSA-N 1 0 378.314 3.642 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc2c(ccc3ccccc23)o1 ZINC000181962800 871672376 /nfs/dbraw/zinc/67/23/76/871672376.db2.gz JFIIFQIVJPDMIC-MOHKDSSBSA-N 1 0 375.428 3.763 20 30 GHEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)cc2)c1 ZINC000525893988 871679864 /nfs/dbraw/zinc/67/98/64/871679864.db2.gz OTFGIFAOTRZCLR-SFHVURJKSA-N 1 0 377.488 3.787 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528997 871760572 /nfs/dbraw/zinc/76/05/72/871760572.db2.gz KMVLTPGIKRTIMV-ROUUACIJSA-N 1 0 385.493 3.670 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000463506920 871895676 /nfs/dbraw/zinc/89/56/76/871895676.db2.gz MIRCWDRECHPHAC-UHFFFAOYSA-N 1 0 394.515 3.963 20 30 GHEDRO O=C(c1cc(F)ccc1F)C(C(=S)NC1CC1)[n+]1ccc2c(c1)CCCC2 ZINC000022688478 871908544 /nfs/dbraw/zinc/90/85/44/871908544.db2.gz PORDKHRYQKYDKR-UHFFFAOYSA-O 1 0 387.475 3.822 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000921075330 882562367 /nfs/dbraw/zinc/56/23/67/882562367.db2.gz KBVQWCWCKLXXEO-GASCZTMLSA-N 1 0 394.357 3.872 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)c1C#N ZINC000552059020 871953433 /nfs/dbraw/zinc/95/34/33/871953433.db2.gz JGXHDBXNDXETKR-ZPMCFJSWSA-N 1 0 378.472 3.786 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618797994 871969267 /nfs/dbraw/zinc/96/92/67/871969267.db2.gz HLHJISYJMZJCLQ-QFIPXVFZSA-N 1 0 376.504 3.885 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000618808108 872014875 /nfs/dbraw/zinc/01/48/75/872014875.db2.gz IZXXINWNMIYTHW-QFIPXVFZSA-N 1 0 392.478 3.648 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000618809014 872016402 /nfs/dbraw/zinc/01/64/02/872016402.db2.gz QADNODCDAXNTCM-HSZRJFAPSA-N 1 0 388.515 3.757 20 30 GHEDRO CCCCCCCCCOC(=O)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001194910956 872026939 /nfs/dbraw/zinc/02/69/39/872026939.db2.gz AGPLSEFRONXPIX-RBUKOAKNSA-N 1 0 390.528 3.501 20 30 GHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000477858974 872031872 /nfs/dbraw/zinc/03/18/72/872031872.db2.gz LDTAIPBLZINZKF-RTWAWAEBSA-N 1 0 383.536 3.830 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000477867377 872047898 /nfs/dbraw/zinc/04/78/98/872047898.db2.gz XVIYLXOANGGNEM-UHFFFAOYSA-N 1 0 395.469 3.868 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001195322347 872307540 /nfs/dbraw/zinc/30/75/40/872307540.db2.gz FEFWQGBMFMCVLX-SFHVURJKSA-N 1 0 392.341 3.608 20 30 GHEDRO CC(C)(C)[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000447839503 872384430 /nfs/dbraw/zinc/38/44/30/872384430.db2.gz KSCPROBLZVZHBA-GOSISDBHSA-N 1 0 389.565 3.964 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001195606144 872534178 /nfs/dbraw/zinc/53/41/78/872534178.db2.gz XWCNOLGALRJSCV-LEWJYISDSA-N 1 0 398.890 3.869 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2cccc(F)c2)N2CCOCC2)c(O)c1 ZINC000921138684 882624570 /nfs/dbraw/zinc/62/45/70/882624570.db2.gz YRAIINXIDOHTJV-LWROZRRASA-N 1 0 399.510 3.870 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670227662 872618698 /nfs/dbraw/zinc/61/86/98/872618698.db2.gz IUNOBXXKQASUNO-NRFANRHFSA-N 1 0 379.552 3.818 20 30 GHEDRO CC(C)[C@@H](CC(F)(F)F)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000527095754 872644387 /nfs/dbraw/zinc/64/43/87/872644387.db2.gz OAIVBDNGWMGZNM-QGZVFWFLSA-N 1 0 384.446 3.608 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619478164 872673114 /nfs/dbraw/zinc/67/31/14/872673114.db2.gz LJGAIEIDVBNIGV-WIYYLYMNSA-N 1 0 397.544 3.599 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000152754981 872840491 /nfs/dbraw/zinc/84/04/91/872840491.db2.gz NHNWJYHHJWKHNS-QGZVFWFLSA-N 1 0 389.517 3.520 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc(C#N)c(Cl)c3)c2)CC1 ZINC000619798220 873018008 /nfs/dbraw/zinc/01/80/08/873018008.db2.gz APWWOKNBFVJZMB-UHFFFAOYSA-N 1 0 397.910 3.675 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619807528 873027119 /nfs/dbraw/zinc/02/71/19/873027119.db2.gz SXEPLOBDBRKFOJ-NRFANRHFSA-N 1 0 386.503 3.547 20 30 GHEDRO COc1ccc(C)cc1CN1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000768201993 873137859 /nfs/dbraw/zinc/13/78/59/873137859.db2.gz WBPLUQMIUBCTHM-UHFFFAOYSA-N 1 0 392.547 3.671 20 30 GHEDRO C=CCc1cc(CN2CCCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1O ZINC000768245904 873205668 /nfs/dbraw/zinc/20/56/68/873205668.db2.gz GNYHWCVEBCIXMZ-UHFFFAOYSA-N 1 0 376.497 3.572 20 30 GHEDRO C[NH+]1CCC(N(C(=O)c2cc(-c3cccc(C#N)c3)on2)C2CCCC2)CC1 ZINC001196768927 873350698 /nfs/dbraw/zinc/35/06/98/873350698.db2.gz VWSVLYCOXIBAGI-UHFFFAOYSA-N 1 0 378.476 3.692 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000768553447 873381816 /nfs/dbraw/zinc/38/18/16/873381816.db2.gz AHOHNXHTSCAVIX-PMACEKPBSA-N 1 0 397.482 3.800 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC23CC(C2)CO3)cc1OCC ZINC000527787194 873572617 /nfs/dbraw/zinc/57/26/17/873572617.db2.gz IBFXUXVEYLXELI-UHFFFAOYSA-N 1 0 382.298 3.681 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001197115933 873608625 /nfs/dbraw/zinc/60/86/25/873608625.db2.gz NSNGSDQUBBPFAQ-NRFANRHFSA-N 1 0 383.442 3.502 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC001197117226 873610117 /nfs/dbraw/zinc/61/01/17/873610117.db2.gz ZHZWNKWUUBZGJH-GOSISDBHSA-N 1 0 377.257 3.668 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1F ZINC000192087327 882754741 /nfs/dbraw/zinc/75/47/41/882754741.db2.gz VCYWDVNWUVNNNQ-UHFFFAOYSA-N 1 0 387.842 3.907 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)CCOc1ccc(Br)cc1 ZINC000282080818 882755950 /nfs/dbraw/zinc/75/59/50/882755950.db2.gz ULCKWZQZWNLSRL-UHFFFAOYSA-N 1 0 381.314 3.860 20 30 GHEDRO C=CCCC[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC001197369003 873778245 /nfs/dbraw/zinc/77/82/45/873778245.db2.gz RBSASHVHDXLRMS-FQEVSTJZSA-N 1 0 386.517 3.716 20 30 GHEDRO C=CCCC[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1ccccc1 ZINC001197377355 873785864 /nfs/dbraw/zinc/78/58/64/873785864.db2.gz LWSHMWUMEGSTNO-QFIPXVFZSA-N 1 0 381.520 3.611 20 30 GHEDRO N#Cc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000448699870 873792564 /nfs/dbraw/zinc/79/25/64/873792564.db2.gz JZCQWWGWHPXPQQ-KRWDZBQOSA-N 1 0 398.304 3.715 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000448725405 873823265 /nfs/dbraw/zinc/82/32/65/873823265.db2.gz LCAGQBNETXTYGK-VQTJNVASSA-N 1 0 381.907 3.906 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000769234453 873910731 /nfs/dbraw/zinc/91/07/31/873910731.db2.gz SPDKNZUNGWTKTD-GOSISDBHSA-N 1 0 377.488 3.714 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc(C#N)c2Br)c1 ZINC000448776214 873950050 /nfs/dbraw/zinc/95/00/50/873950050.db2.gz WLQGLHSNSRNNIH-UHFFFAOYSA-N 1 0 386.293 3.702 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001197707692 873993685 /nfs/dbraw/zinc/99/36/85/873993685.db2.gz ZQEKYSNOCMLRPZ-VQTJNVASSA-N 1 0 376.529 3.709 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=S)Nc3cccc(C#N)c3)CC2)c1 ZINC001197736291 874016353 /nfs/dbraw/zinc/01/63/53/874016353.db2.gz QSPRIBPOWLJWDR-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000448825605 874025560 /nfs/dbraw/zinc/02/55/60/874025560.db2.gz UQNLZPHPRSDWSX-VBQJREDUSA-N 1 0 390.325 3.798 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000769416289 874033563 /nfs/dbraw/zinc/03/35/63/874033563.db2.gz CLYVUQYHOPSCGX-KRWDZBQOSA-N 1 0 377.406 3.658 20 30 GHEDRO CCn1c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)nc2c1cccc2F ZINC000595764160 874153936 /nfs/dbraw/zinc/15/39/36/874153936.db2.gz FNXXEYBGFXEVHO-UHFFFAOYSA-N 1 0 378.451 3.862 20 30 GHEDRO CC(C)C(=O)Nc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1 ZINC001198082843 874203808 /nfs/dbraw/zinc/20/38/08/874203808.db2.gz IPZANMWBFSFLBT-UHFFFAOYSA-N 1 0 377.492 3.648 20 30 GHEDRO C[C@@H](C[NH2+]CCSCc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449061296 874397417 /nfs/dbraw/zinc/39/74/17/874397417.db2.gz IEMKNJXKAQFZBQ-INIZCTEOSA-N 1 0 388.558 3.588 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3CCOC34CCCC4)sc2C1 ZINC001198507213 874469987 /nfs/dbraw/zinc/46/99/87/874469987.db2.gz IIOZSAQLSHMDHO-KBXCAEBGSA-N 1 0 387.549 3.764 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508878399 874591164 /nfs/dbraw/zinc/59/11/64/874591164.db2.gz HNZALTTUCVYHIR-PGRDOPGGSA-N 1 0 399.535 3.859 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc(C(=O)N4CCCC4)cc3)CC2)c1 ZINC000104713650 874662260 /nfs/dbraw/zinc/66/22/60/874662260.db2.gz CKWAKZBQPLCPAK-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000464919383 874786142 /nfs/dbraw/zinc/78/61/42/874786142.db2.gz VATFNGJSEOKKSS-UHFFFAOYSA-N 1 0 375.472 3.827 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000464944149 874831997 /nfs/dbraw/zinc/83/19/97/874831997.db2.gz WBAWGWHYPJTBHQ-KNQAVFIVSA-N 1 0 391.515 3.696 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)c2cccc(OC)c2)cc1OC ZINC000858132886 882868870 /nfs/dbraw/zinc/86/88/70/882868870.db2.gz HKEPYHAMIGGHBL-GOSISDBHSA-N 1 0 377.868 3.745 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc(O)cc2)sc2c1CCC2 ZINC000609144452 874857927 /nfs/dbraw/zinc/85/79/27/874857927.db2.gz IEIUSNZTBDKTTL-SFHVURJKSA-N 1 0 381.501 3.980 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000542104501 874964456 /nfs/dbraw/zinc/96/44/56/874964456.db2.gz LYOHCDDMBYCMDW-AUSIDOKSSA-N 1 0 375.472 3.808 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c(-c2ccccc2)n1 ZINC000449531949 875013338 /nfs/dbraw/zinc/01/33/38/875013338.db2.gz CMPZLJSVWMZFES-FGZHOGPDSA-N 1 0 387.487 3.869 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3ccc(CC#N)cc3)CC2)c1C ZINC000542263755 875277770 /nfs/dbraw/zinc/27/77/70/875277770.db2.gz MNCXRPVMOBIALI-UHFFFAOYSA-N 1 0 392.547 3.870 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449735295 875319313 /nfs/dbraw/zinc/31/93/13/875319313.db2.gz HBFCBHCBAIJNRG-HNNXBMFYSA-N 1 0 379.435 3.642 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776096167 875336029 /nfs/dbraw/zinc/33/60/29/875336029.db2.gz HIDPRXPWRICIKZ-HXUWFJFHSA-N 1 0 377.488 3.827 20 30 GHEDRO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(cc[nH]c3=O)n1)C2 ZINC001110741171 882928239 /nfs/dbraw/zinc/92/82/39/882928239.db2.gz UWXZQLRAOUQAAE-YSGRDPCXSA-N 1 0 382.508 3.641 20 30 GHEDRO C[C@H]1CC[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC001201226233 875563773 /nfs/dbraw/zinc/56/37/73/875563773.db2.gz IMJRBLGJHQGLCZ-HNNXBMFYSA-N 1 0 382.439 3.953 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001201297488 875617015 /nfs/dbraw/zinc/61/70/15/875617015.db2.gz HMEXZVDSOGPRHN-PKOBYXMFSA-N 1 0 395.478 3.727 20 30 GHEDRO CN(C)c1cc[nH+]cc1C=NNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000776179333 875672694 /nfs/dbraw/zinc/67/26/94/875672694.db2.gz QHUYDIBWQQJQQN-UHFFFAOYSA-N 1 0 381.477 3.783 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000913649539 875699087 /nfs/dbraw/zinc/69/90/87/875699087.db2.gz PSRUOMARYCUTOI-KRWDZBQOSA-N 1 0 387.524 3.540 20 30 GHEDRO CC1CCC2(CC1)OC[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)O2 ZINC001201726787 875829967 /nfs/dbraw/zinc/82/99/67/875829967.db2.gz KHOVYOVYCIOGQV-MNQCNDSGSA-N 1 0 379.298 3.732 20 30 GHEDRO CCN(C(=O)Nc1ccc(COC)c(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529212561 875839055 /nfs/dbraw/zinc/83/90/55/875839055.db2.gz MJAKZRUUXOOWGA-QFIPXVFZSA-N 1 0 392.503 3.833 20 30 GHEDRO CCCCCCCC[N@@H+]1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001201815036 875872714 /nfs/dbraw/zinc/87/27/14/875872714.db2.gz VTSVPNFHIPHMEF-OAQYLSRUSA-N 1 0 378.536 3.895 20 30 GHEDRO CCCCCCC[NH+]1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001201776715 875874802 /nfs/dbraw/zinc/87/48/02/875874802.db2.gz IVORRGGBYPMBRM-UHFFFAOYSA-N 1 0 385.556 3.716 20 30 GHEDRO C=CCC1(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCCC1 ZINC000450060190 875879676 /nfs/dbraw/zinc/87/96/76/875879676.db2.gz MGKDNGPWLZPHSR-UHFFFAOYSA-N 1 0 375.601 3.778 20 30 GHEDRO CCOc1ccc(CN(C)C(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000054340490 875890528 /nfs/dbraw/zinc/89/05/28/875890528.db2.gz WKAGIAOEZGMVEJ-SFHVURJKSA-N 1 0 379.504 3.998 20 30 GHEDRO CCCCCCCCCC[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001201874775 875918992 /nfs/dbraw/zinc/91/89/92/875918992.db2.gz FUDMADOLKWHOLI-NRFANRHFSA-N 1 0 394.600 3.857 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000120594594 876116811 /nfs/dbraw/zinc/11/68/11/876116811.db2.gz LGWPEMXTJYLDJI-GOSISDBHSA-N 1 0 377.488 3.619 20 30 GHEDRO CC[C@H](NC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C)cc1)c1cccs1 ZINC000151936459 876203769 /nfs/dbraw/zinc/20/37/69/876203769.db2.gz NBLGGHSDKWKUEF-INIZCTEOSA-O 1 0 399.565 3.757 20 30 GHEDRO COc1ccccc1C/C(C)=C/C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000106756619 876243222 /nfs/dbraw/zinc/24/32/22/876243222.db2.gz XCWHETYTBAMNMO-XDJHFCHBSA-N 1 0 391.515 3.646 20 30 GHEDRO C=CCOc1ccccc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000192799181 883022047 /nfs/dbraw/zinc/02/20/47/883022047.db2.gz YHLLITIHSSQNPG-FQEVSTJZSA-N 1 0 392.499 3.969 20 30 GHEDRO CC[NH+]1CCC(C(=O)Nc2ccc(COC)c(C#N)c2)(c2ccccc2)CC1 ZINC000529813740 876672019 /nfs/dbraw/zinc/67/20/19/876672019.db2.gz BDUOGOLDJCOJMW-UHFFFAOYSA-N 1 0 377.488 3.697 20 30 GHEDRO N#CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000760177654 883062068 /nfs/dbraw/zinc/06/20/68/883062068.db2.gz KTEVACHZQPEPPG-LJQANCHMSA-N 1 0 383.879 3.506 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000850342292 876831217 /nfs/dbraw/zinc/83/12/17/876831217.db2.gz KNYOBKKJFYVHIH-UHFFFAOYSA-N 1 0 377.448 3.843 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCC1 ZINC000850366519 876853943 /nfs/dbraw/zinc/85/39/43/876853943.db2.gz FOCSAROZTRSJNX-UHFFFAOYSA-N 1 0 398.551 3.954 20 30 GHEDRO N#CCSCCC[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000174171895 876878381 /nfs/dbraw/zinc/87/83/81/876878381.db2.gz RUUXKNZAZSTAJW-UHFFFAOYSA-N 1 0 390.553 3.714 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000450789626 876894000 /nfs/dbraw/zinc/89/40/00/876894000.db2.gz WQBXEDXTGKXSCY-UHFFFAOYSA-N 1 0 393.447 3.501 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1 ZINC000109356925 876940247 /nfs/dbraw/zinc/94/02/47/876940247.db2.gz QQOCNZLCDZSGKJ-UHFFFAOYSA-N 1 0 381.476 3.712 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000850723360 877126702 /nfs/dbraw/zinc/12/67/02/877126702.db2.gz NHKQVXRUDXGTTR-JKEWDBBWSA-N 1 0 392.499 3.617 20 30 GHEDRO Cc1cc(C(=O)NCCc2cn3cccc(C)c3n2)c(C)n1-c1ccc(C#N)cc1 ZINC000746641390 877181559 /nfs/dbraw/zinc/18/15/59/877181559.db2.gz VRLHOIZDCMKYHX-UHFFFAOYSA-N 1 0 397.482 3.894 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)c2ccccc2OCC#N)CCCC1)c1ccccc1 ZINC000109697737 877344593 /nfs/dbraw/zinc/34/45/93/877344593.db2.gz KLKNJIGCMGYCTO-SFHVURJKSA-N 1 0 377.488 3.982 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccccc2OCC#N)CCCC1)c1ccccc1 ZINC000109697741 877345208 /nfs/dbraw/zinc/34/52/08/877345208.db2.gz KLKNJIGCMGYCTO-GOSISDBHSA-N 1 0 377.488 3.982 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610133313 877449181 /nfs/dbraw/zinc/44/91/81/877449181.db2.gz BTYFFUPMKDJXEZ-KFKAGJAMSA-N 1 0 375.900 3.676 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000610162281 877467335 /nfs/dbraw/zinc/46/73/35/877467335.db2.gz PEVLDZDOBRCLFY-RDPSFJRHSA-N 1 0 393.531 3.748 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)C1 ZINC000451186991 877546854 /nfs/dbraw/zinc/54/68/54/877546854.db2.gz FUFPNIIJFSPDPT-HLLBOEOZSA-N 1 0 380.273 3.848 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000192772235 877687636 /nfs/dbraw/zinc/68/76/36/877687636.db2.gz USTNOTHAXSFWGN-LLVKDONJSA-N 1 0 376.254 3.820 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000475669372 877702571 /nfs/dbraw/zinc/70/25/71/877702571.db2.gz RMLKGTFYAMDUEW-QFIPXVFZSA-N 1 0 393.531 3.927 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)cc1OC ZINC000615440948 877739983 /nfs/dbraw/zinc/73/99/83/877739983.db2.gz PAOAVRSKZUDQLH-UHFFFAOYSA-N 1 0 386.536 3.987 20 30 GHEDRO C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)c1 ZINC000110123485 877861555 /nfs/dbraw/zinc/86/15/55/877861555.db2.gz MKTLURPZORDQLC-UHFFFAOYSA-N 1 0 391.515 3.609 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000245455907 877909376 /nfs/dbraw/zinc/90/93/76/877909376.db2.gz BAQDYNKZCNOCNF-KOXFWSKDSA-N 1 0 387.545 3.585 20 30 GHEDRO C=C(C)CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000477597573 877912004 /nfs/dbraw/zinc/91/20/04/877912004.db2.gz DSQBUKDTPJHUJV-RDJZCZTQSA-N 1 0 390.471 3.584 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451478314 877993559 /nfs/dbraw/zinc/99/35/59/877993559.db2.gz JYHBVFFWJMEMRE-HRYATBACSA-N 1 0 387.549 3.670 20 30 GHEDRO CC1(C(=O)OCCOc2ccccc2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000772718487 877997302 /nfs/dbraw/zinc/99/73/02/877997302.db2.gz KDYCSIXLNPJCSB-UHFFFAOYSA-N 1 0 378.472 3.783 20 30 GHEDRO C=CCOc1cccnc1C(=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000776557950 878012696 /nfs/dbraw/zinc/01/26/96/878012696.db2.gz LPBDEIWKEMYMEV-FQEVSTJZSA-N 1 0 378.472 3.566 20 30 GHEDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1(C)C ZINC000451491601 878037971 /nfs/dbraw/zinc/03/79/71/878037971.db2.gz PQGTVJNLLFHENU-JNAXZKDPSA-N 1 0 375.538 3.670 20 30 GHEDRO C[N@@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 ZINC000551951376 878055187 /nfs/dbraw/zinc/05/51/87/878055187.db2.gz YSNRZKWGWUAJAP-CYBMUJFWSA-N 1 0 394.422 3.515 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000852106799 878077970 /nfs/dbraw/zinc/07/79/70/878077970.db2.gz JDJIQUVNZMQKKZ-QUCCMNQESA-N 1 0 384.524 3.574 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460575271 878211424 /nfs/dbraw/zinc/21/14/24/878211424.db2.gz GUIQAIOTOGSDKD-IBGZPJMESA-N 1 0 390.535 3.599 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](CCCSCC#N)C2)CC1 ZINC000852303180 878218160 /nfs/dbraw/zinc/21/81/60/878218160.db2.gz LULYNEVJIVDPCQ-GOSISDBHSA-N 1 0 381.586 3.992 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C#N)c1Br)c1ccco1 ZINC000451673093 878292899 /nfs/dbraw/zinc/29/28/99/878292899.db2.gz KEXFDOQYGXSSFA-WFASDCNBSA-N 1 0 390.281 3.773 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000245670127 878333947 /nfs/dbraw/zinc/33/39/47/878333947.db2.gz RXQYWGHXEPALCS-NFBKMPQASA-N 1 0 379.504 3.913 20 30 GHEDRO CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000110656482 878391921 /nfs/dbraw/zinc/39/19/21/878391921.db2.gz IVXWGXRWOMSQIO-UGKGYDQZSA-N 1 0 391.515 3.815 20 30 GHEDRO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H]1CCc2ccccc21 ZINC000852724628 878549158 /nfs/dbraw/zinc/54/91/58/878549158.db2.gz IXFZQVMXTOHAPO-FXAWDEMLSA-N 1 0 382.467 3.885 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)C(=O)N(CCC#N)c1ccccc1 ZINC000852783263 878599463 /nfs/dbraw/zinc/59/94/63/878599463.db2.gz XVNDPXZOUZKRKB-ZWKOTPCHSA-N 1 0 377.488 3.998 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)ccc1OC ZINC000180172698 878603454 /nfs/dbraw/zinc/60/34/54/878603454.db2.gz GVURCGLCVAKWEL-KRWDZBQOSA-N 1 0 399.457 3.883 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000852804337 878612882 /nfs/dbraw/zinc/61/28/82/878612882.db2.gz MWYAVJLUUJTKRV-UHFFFAOYSA-N 1 0 394.327 3.982 20 30 GHEDRO COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852825268 878624565 /nfs/dbraw/zinc/62/45/65/878624565.db2.gz JICIREBJTFRDPY-HXUWFJFHSA-N 1 0 390.527 3.658 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)CC1 ZINC000914139178 878649256 /nfs/dbraw/zinc/64/92/56/878649256.db2.gz OKIKKHGWWVJFPM-OAHLLOKOSA-N 1 0 382.533 3.576 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC1SCCS1 ZINC000853015991 878754289 /nfs/dbraw/zinc/75/42/89/878754289.db2.gz ZWCYBGPJRXMFMB-UHFFFAOYSA-N 1 0 384.640 3.781 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177632147 878786450 /nfs/dbraw/zinc/78/64/50/878786450.db2.gz LLNKFXCTDIHAMU-KRWDZBQOSA-N 1 0 378.438 3.828 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C[NH+]1CCCC1 ZINC000616360887 878788975 /nfs/dbraw/zinc/78/89/75/878788975.db2.gz IEWZUWKDJBEEDK-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000789355759 878844139 /nfs/dbraw/zinc/84/41/39/878844139.db2.gz BTWRAYWWSDVILL-AWEZNQCLSA-N 1 0 398.488 3.598 20 30 GHEDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000789365657 878899732 /nfs/dbraw/zinc/89/97/32/878899732.db2.gz NKMZBLAAKBYJQS-MRXNPFEDSA-N 1 0 392.459 3.536 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1Oc1ccccc1 ZINC000538156165 878929837 /nfs/dbraw/zinc/92/98/37/878929837.db2.gz VTCRKBYRQAHSHO-GOSISDBHSA-N 1 0 376.460 3.785 20 30 GHEDRO C[N@H+](CCOCC(F)(F)C(F)(F)F)C1CCN(CCC(F)(F)F)CC1 ZINC000452113739 878954413 /nfs/dbraw/zinc/95/44/13/878954413.db2.gz IKGOGESNYAQCHI-UHFFFAOYSA-N 1 0 386.327 3.549 20 30 GHEDRO COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1SC ZINC000068803077 879057185 /nfs/dbraw/zinc/05/71/85/879057185.db2.gz DZLFPFXWXTYKKL-UHFFFAOYSA-N 1 0 381.545 3.997 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC2CC2)c1 ZINC000597428914 879057534 /nfs/dbraw/zinc/05/75/34/879057534.db2.gz VMKVWJYIYKSUOU-HXUWFJFHSA-N 1 0 390.535 3.539 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000853690966 879223731 /nfs/dbraw/zinc/22/37/31/879223731.db2.gz TWGGHASKJGJRCE-UXHICEINSA-N 1 0 393.959 3.738 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)Cc1ccccc1 ZINC000609162989 879225759 /nfs/dbraw/zinc/22/57/59/879225759.db2.gz LMFVNLNELBDRRU-OAQYLSRUSA-N 1 0 388.515 3.848 20 30 GHEDRO N#Cc1ncc(C(F)(F)F)cc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000853810677 879296642 /nfs/dbraw/zinc/29/66/42/879296642.db2.gz FCVXYQJNFOGOPT-UHFFFAOYSA-N 1 0 375.398 3.691 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000853820143 879308487 /nfs/dbraw/zinc/30/84/87/879308487.db2.gz IKDTWUMWXFOELS-INIZCTEOSA-N 1 0 383.521 3.600 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000538373243 879371288 /nfs/dbraw/zinc/37/12/88/879371288.db2.gz XGMUWOQUNJPQOZ-IAGOWNOFSA-N 1 0 376.520 3.683 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000746868324 879380264 /nfs/dbraw/zinc/38/02/64/879380264.db2.gz WNNWUVALYNKOCE-VWLOTQADSA-N 1 0 388.511 3.827 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246330513 879402255 /nfs/dbraw/zinc/40/22/55/879402255.db2.gz HZXDRGNRRGGUPO-BHIFYINESA-N 1 0 396.579 3.908 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](c3ccccc3)C3CCOCC3)C2=O)cc1 ZINC000790325885 879598334 /nfs/dbraw/zinc/59/83/34/879598334.db2.gz YJJONZSLCKSFLI-XZOQPEGZSA-N 1 0 389.499 3.811 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2F)CC1 ZINC000790446993 879731952 /nfs/dbraw/zinc/73/19/52/879731952.db2.gz TYOCEJDHJSIKHH-UHFFFAOYSA-N 1 0 384.430 3.619 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000790494579 879764558 /nfs/dbraw/zinc/76/45/58/879764558.db2.gz AOTNYNBOBZEGAH-QFIPXVFZSA-N 1 0 375.472 3.936 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493985682 879819328 /nfs/dbraw/zinc/81/93/28/879819328.db2.gz OIWSNBOSFZVLRG-IEBWSBKVSA-N 1 0 375.806 3.551 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCCN1C(=O)OC(C)(C)C ZINC000790571979 879828979 /nfs/dbraw/zinc/82/89/79/879828979.db2.gz LNQOUHZDSUKAST-OAQYLSRUSA-N 1 0 397.479 3.552 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1Cn1cccn1 ZINC000181155938 879988443 /nfs/dbraw/zinc/98/84/43/879988443.db2.gz RVPSFWSLEXOERK-KRWDZBQOSA-N 1 0 376.460 3.541 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000494219465 880003362 /nfs/dbraw/zinc/00/33/62/880003362.db2.gz JRGBZRGQWCWYLG-PZJWPPBQSA-N 1 0 383.442 3.828 20 30 GHEDRO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3ccc(OC)c(C#N)c3)c2)n1 ZINC000790996521 880124680 /nfs/dbraw/zinc/12/46/80/880124680.db2.gz YDWYLALPNMDZIX-UHFFFAOYSA-N 1 0 393.468 3.767 20 30 GHEDRO O=C(c1ccc(F)cc1F)C(C(=S)Nc1ccccc1)[n+]1cccc(CO)c1 ZINC000010170588 880432772 /nfs/dbraw/zinc/43/27/72/880432772.db2.gz SMCCQUJSVRLIKU-UHFFFAOYSA-O 1 0 399.442 3.796 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)ccc1OC ZINC000113348271 880522029 /nfs/dbraw/zinc/52/20/29/880522029.db2.gz MHIPYAAUALKOEN-NRFANRHFSA-N 1 0 390.487 3.911 20 30 GHEDRO C=C(C)C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000791566195 880529693 /nfs/dbraw/zinc/52/96/93/880529693.db2.gz NFXLDNDNMZZIEW-UHFFFAOYSA-N 1 0 393.531 3.930 20 30 GHEDRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC000453291724 880733214 /nfs/dbraw/zinc/73/32/14/880733214.db2.gz VKTQEUFYOXVIOK-UHFFFAOYSA-N 1 0 382.504 3.987 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)C(C)C ZINC000186015077 880762335 /nfs/dbraw/zinc/76/23/35/880762335.db2.gz IHNTWHWSKRDSTG-OAQYLSRUSA-N 1 0 382.483 3.711 20 30 GHEDRO C=CCn1c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453446571 880913710 /nfs/dbraw/zinc/91/37/10/880913710.db2.gz WCBNAYFTXZFJFP-HSZRJFAPSA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000453423398 880921072 /nfs/dbraw/zinc/92/10/72/880921072.db2.gz DOUGSBPQKRJGTK-SFTDATJTSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453425444 880924578 /nfs/dbraw/zinc/92/45/78/880924578.db2.gz MQNIUKZYXCXFMP-TYPHKJRUSA-N 1 0 395.551 3.977 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000453425963 880928805 /nfs/dbraw/zinc/92/88/05/880928805.db2.gz PIJNLAHOUVAAQL-IBGZPJMESA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000453468587 880976269 /nfs/dbraw/zinc/97/62/69/880976269.db2.gz UOAUQOFWMHFYLK-OAQYLSRUSA-N 1 0 395.551 3.726 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453449568 881002727 /nfs/dbraw/zinc/00/27/27/881002727.db2.gz FEBIHNLWPCXYEU-ZIFCJYIRSA-N 1 0 385.581 3.673 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000113981188 881021949 /nfs/dbraw/zinc/02/19/49/881021949.db2.gz JAHWNUJDHBWQCF-AEFFLSMTSA-N 1 0 386.521 3.531 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000114038530 881059631 /nfs/dbraw/zinc/05/96/31/881059631.db2.gz FNAZUMAICXWLCQ-UXHICEINSA-N 1 0 384.524 3.527 20 30 GHEDRO CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2cc(C#N)ccc2OC)cn1 ZINC000792379917 881087793 /nfs/dbraw/zinc/08/77/93/881087793.db2.gz UPMIUXOHBFRAFJ-QFIPXVFZSA-N 1 0 390.487 3.519 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000453628487 881222676 /nfs/dbraw/zinc/22/26/76/881222676.db2.gz WYLXNDCQOGBMJR-JOCHJYFZSA-N 1 0 380.492 3.512 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1OCC ZINC000188848568 881306208 /nfs/dbraw/zinc/30/62/08/881306208.db2.gz QQYKSGJTNSZILT-ZFWWWQNUSA-N 1 0 384.314 3.663 20 30 GHEDRO N#CCc1ccnc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000532181035 881315262 /nfs/dbraw/zinc/31/52/62/881315262.db2.gz LMUBQLATFKRWDL-IBGZPJMESA-N 1 0 388.393 3.541 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000858566845 883203134 /nfs/dbraw/zinc/20/31/34/883203134.db2.gz IGAIGSZPMSFELL-UHFFFAOYSA-N 1 0 391.302 3.651 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000183107050 883239163 /nfs/dbraw/zinc/23/91/63/883239163.db2.gz ATWNJVQOJTWTKZ-FUHWJXTLSA-N 1 0 381.451 3.967 20 30 GHEDRO C[NH+](C)CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 ZINC000609502758 883271050 /nfs/dbraw/zinc/27/10/50/883271050.db2.gz NDLSZKFLJPVWTR-UHFFFAOYSA-N 1 0 386.455 3.954 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000476904750 883354398 /nfs/dbraw/zinc/35/43/98/883354398.db2.gz GRRKALAWBBKMGM-UHFFFAOYSA-N 1 0 375.561 3.674 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(C(=O)OC)cc1 ZINC000551165550 883405758 /nfs/dbraw/zinc/40/57/58/883405758.db2.gz SFWLNEUORZTPKK-SFTDATJTSA-N 1 0 391.471 3.581 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C[NH+]1CCCCC1 ZINC000609660576 883498167 /nfs/dbraw/zinc/49/81/67/883498167.db2.gz PWTCJSXPJJBBAO-IBGZPJMESA-N 1 0 391.515 3.989 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000805029484 883541673 /nfs/dbraw/zinc/54/16/73/883541673.db2.gz QKAMSGQFKGNEEI-LEWJYISDSA-N 1 0 395.572 3.894 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064521388 883584096 /nfs/dbraw/zinc/58/40/96/883584096.db2.gz DIHKUGZFBASWGC-IBGZPJMESA-N 1 0 399.585 3.881 20 30 GHEDRO C#CCCOC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000859167002 883635473 /nfs/dbraw/zinc/63/54/73/883635473.db2.gz RHCIKMVNUCYLAL-JOCHJYFZSA-N 1 0 377.488 3.708 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000805172699 883653513 /nfs/dbraw/zinc/65/35/13/883653513.db2.gz YVBWKUKKKFATJM-AGILITTLSA-N 1 0 389.543 3.831 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1 ZINC000859251378 883693548 /nfs/dbraw/zinc/69/35/48/883693548.db2.gz ZJFMOZYTYCCINK-UHFFFAOYSA-N 1 0 393.531 3.606 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000609827142 883701560 /nfs/dbraw/zinc/70/15/60/883701560.db2.gz XDTMBIJBYBABRV-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cn1 ZINC000064614206 883753075 /nfs/dbraw/zinc/75/30/75/883753075.db2.gz GUDFHCJMVUFTLU-UHFFFAOYSA-N 1 0 382.508 3.909 20 30 GHEDRO Cn1cc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000122053812 883806927 /nfs/dbraw/zinc/80/69/27/883806927.db2.gz DWMICLFQFNVMKS-UHFFFAOYSA-N 1 0 388.515 3.573 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000551424673 883852733 /nfs/dbraw/zinc/85/27/33/883852733.db2.gz NRAVUMUSDPTMSO-CXAGYDPISA-N 1 0 386.323 3.669 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)ccc1OCc1ccncc1 ZINC000897602165 884053451 /nfs/dbraw/zinc/05/34/51/884053451.db2.gz HVJPPYWNDLTXRP-UHFFFAOYSA-N 1 0 394.471 3.507 20 30 GHEDRO C#C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccc(Cl)cc1F ZINC000805775380 884056900 /nfs/dbraw/zinc/05/69/00/884056900.db2.gz GDLZKNITPUAMIU-FQEVSTJZSA-N 1 0 387.886 3.757 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000805776687 884058415 /nfs/dbraw/zinc/05/84/15/884058415.db2.gz VJIZGIVCVRCVSG-JKSUJKDBSA-N 1 0 379.888 3.817 20 30 GHEDRO C[NH+]1CCC(CNC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000760476249 884139188 /nfs/dbraw/zinc/13/91/88/884139188.db2.gz QIIJZRSNMRQEPH-UHFFFAOYSA-N 1 0 394.544 3.765 20 30 GHEDRO N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000805853406 884146453 /nfs/dbraw/zinc/14/64/53/884146453.db2.gz IUESOQCTGLWNEA-MRXNPFEDSA-N 1 0 393.459 3.523 20 30 GHEDRO COc1cccc(CC2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000612122931 884238859 /nfs/dbraw/zinc/23/88/59/884238859.db2.gz AHTNXMGUMIJKGS-HSZRJFAPSA-N 1 0 389.499 3.627 20 30 GHEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000193302886 884338173 /nfs/dbraw/zinc/33/81/73/884338173.db2.gz DDVAGQMDYCVHLY-HOCLYGCPSA-N 1 0 379.426 3.982 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000806174748 884397546 /nfs/dbraw/zinc/39/75/46/884397546.db2.gz MTQDMVBRYLGJFM-HXUWFJFHSA-N 1 0 389.421 3.869 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000102802749 884464761 /nfs/dbraw/zinc/46/47/61/884464761.db2.gz VVMSZMNNHZYNDI-UHFFFAOYSA-N 1 0 388.418 3.755 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2c(F)c(F)nc(F)c2F)c1C ZINC000914691989 884524697 /nfs/dbraw/zinc/52/46/97/884524697.db2.gz KSXMALNXXHOCRM-CQSZACIVSA-N 1 0 397.420 3.987 20 30 GHEDRO CCn1ncc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc21 ZINC000194770433 884534285 /nfs/dbraw/zinc/53/42/85/884534285.db2.gz IPXPRGUKVXWCCU-UHFFFAOYSA-N 1 0 390.491 3.524 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=Nn2cnnc2-c2ccccc2)c1C ZINC000914695405 884539984 /nfs/dbraw/zinc/53/99/84/884539984.db2.gz TUNAOHKXUKOWLO-OAQYLSRUSA-N 1 0 376.508 3.730 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000806372861 884650193 /nfs/dbraw/zinc/65/01/93/884650193.db2.gz XUONLRHZHLWYKV-UHFFFAOYSA-N 1 0 375.516 3.804 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CCCC1 ZINC000102954588 884652996 /nfs/dbraw/zinc/65/29/96/884652996.db2.gz KJZCOABKPUVINF-LJQANCHMSA-N 1 0 382.439 3.665 20 30 GHEDRO C#CC[C@@]1(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CCCN1C(=O)OC(C)(C)C ZINC001299187577 884667543 /nfs/dbraw/zinc/66/75/43/884667543.db2.gz HPWSTAYVMYFXLA-QHCPKHFHSA-N 1 0 399.535 3.788 20 30 GHEDRO CN(c1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1)S(C)(=O)=O ZINC000898286771 884696681 /nfs/dbraw/zinc/69/66/81/884696681.db2.gz LXGUAGYDPALPIG-UHFFFAOYSA-N 1 0 397.544 3.576 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(F)c(NC(C)=O)c1)C(C)C ZINC000044015517 884729570 /nfs/dbraw/zinc/72/95/70/884729570.db2.gz RUNNINKUPJASJW-LJQANCHMSA-N 1 0 376.476 3.604 20 30 GHEDRO C=CCCOCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000229880184 884734891 /nfs/dbraw/zinc/73/48/91/884734891.db2.gz HFXJKFULLUZZNY-UHFFFAOYSA-N 1 0 393.119 3.903 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-n4cccn4)cc3)C2)c(F)c1 ZINC000237713965 884805257 /nfs/dbraw/zinc/80/52/57/884805257.db2.gz QJHIMGZUJKEOMA-LJQANCHMSA-N 1 0 375.451 3.642 20 30 GHEDRO C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000610582569 884820659 /nfs/dbraw/zinc/82/06/59/884820659.db2.gz ACNFMHZYKPQLBI-BESSAKFISA-N 1 0 393.535 3.533 20 30 GHEDRO C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000860647848 884875892 /nfs/dbraw/zinc/87/58/92/884875892.db2.gz AAGYFMGXTSWFHD-WIYYLYMNSA-N 1 0 375.516 3.863 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CC1 ZINC000106035151 884936702 /nfs/dbraw/zinc/93/67/02/884936702.db2.gz DVGHXPKKIVDNGB-UHFFFAOYSA-N 1 0 399.926 3.568 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000556448401 884965082 /nfs/dbraw/zinc/96/50/82/884965082.db2.gz IJVQVHUQATXCKH-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ncccn3)cc2C)CC1 ZINC000106323838 885032715 /nfs/dbraw/zinc/03/27/15/885032715.db2.gz QNFGGNXNIXUQHX-UHFFFAOYSA-N 1 0 381.480 3.739 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460369233 885036019 /nfs/dbraw/zinc/03/60/19/885036019.db2.gz KKRVMWCUWRKHED-FQEVSTJZSA-N 1 0 390.535 3.530 20 30 GHEDRO Cc1c2cc(Br)ccc2oc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000130766488 885096004 /nfs/dbraw/zinc/09/60/04/885096004.db2.gz ICUKDPJBUDOLRX-UHFFFAOYSA-N 1 0 392.297 3.811 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc(C#N)c1 ZINC000610728349 885098202 /nfs/dbraw/zinc/09/82/02/885098202.db2.gz FUMFUKSSQREOMB-KRWDZBQOSA-N 1 0 399.922 3.773 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(Br)c3)CC2)C1=O ZINC001275268732 912897304 /nfs/dbraw/zinc/89/73/04/912897304.db2.gz KEQBJLCMKRIIPF-IBGZPJMESA-N 1 0 377.326 3.840 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000556544631 885300396 /nfs/dbraw/zinc/30/03/96/885300396.db2.gz GAIGLFCAALAVKH-SUMWQHHRSA-N 1 0 380.330 3.698 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000532427844 885370539 /nfs/dbraw/zinc/37/05/39/885370539.db2.gz HOMIJVNLJWZZCR-UHFFFAOYSA-N 1 0 388.397 3.512 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121865267 885397027 /nfs/dbraw/zinc/39/70/27/885397027.db2.gz VUOWIUOXQGQRCZ-SJORKVTESA-N 1 0 387.505 3.910 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000487902179 885592096 /nfs/dbraw/zinc/59/20/96/885592096.db2.gz XKWRKQZOMJMMAJ-WFASDCNBSA-N 1 0 379.302 3.657 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000807650396 885608540 /nfs/dbraw/zinc/60/85/40/885608540.db2.gz KCZYUDDVBDHMSQ-QHCPKHFHSA-N 1 0 378.516 3.837 20 30 GHEDRO C#CCOc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1 ZINC000777201379 885656168 /nfs/dbraw/zinc/65/61/68/885656168.db2.gz BKOLGDSUEJKYQZ-SFHVURJKSA-N 1 0 378.520 3.797 20 30 GHEDRO C=CC[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000532554943 886047280 /nfs/dbraw/zinc/04/72/80/886047280.db2.gz MCXMLSYGFYIGHN-GOSISDBHSA-N 1 0 385.475 3.597 20 30 GHEDRO C=CCn1c(C)nn(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1=S ZINC000747466607 886120915 /nfs/dbraw/zinc/12/09/15/886120915.db2.gz OMCKVSSFOCUALH-QFIPXVFZSA-N 1 0 397.592 3.854 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000762481024 886272570 /nfs/dbraw/zinc/27/25/70/886272570.db2.gz NONYZZAXQCJJMS-FXAWDEMLSA-N 1 0 386.540 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000862526803 886428066 /nfs/dbraw/zinc/42/80/66/886428066.db2.gz DVIGYLRDZWJKOW-QFIPXVFZSA-N 1 0 399.535 3.801 20 30 GHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1)CC(C)C ZINC000476498988 886445454 /nfs/dbraw/zinc/44/54/54/886445454.db2.gz GOVZBHBJYVDSCS-UHFFFAOYSA-N 1 0 397.629 3.870 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CCN(Cc1ccc(Br)s1)CC2 ZINC001137641232 886623029 /nfs/dbraw/zinc/62/30/29/886623029.db2.gz QSWWQSGWGFJQGC-UHFFFAOYSA-N 1 0 385.327 3.731 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000808713476 886697283 /nfs/dbraw/zinc/69/72/83/886697283.db2.gz NJFFHTGBKFCHPY-RTGRKSDTSA-N 1 0 379.460 3.570 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000556915838 886703546 /nfs/dbraw/zinc/70/35/46/886703546.db2.gz NHEXOUCLBHCOOX-UHFFFAOYSA-N 1 0 383.488 3.878 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc(C#N)cc1 ZINC000808826302 886828992 /nfs/dbraw/zinc/82/89/92/886828992.db2.gz AWMVZMQYOHBGOJ-UHFFFAOYSA-N 1 0 379.460 3.618 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000188718034 887082276 /nfs/dbraw/zinc/08/22/76/887082276.db2.gz ATKGYLBLHADYEQ-UHFFFAOYSA-N 1 0 393.491 3.682 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N(C)CCc2cccc(C#N)c2)cc1 ZINC000863434011 887104665 /nfs/dbraw/zinc/10/46/65/887104665.db2.gz DAGIWHXFONOQMY-UHFFFAOYSA-N 1 0 379.504 3.594 20 30 GHEDRO C=CCCOCC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000147659218 887170847 /nfs/dbraw/zinc/17/08/47/887170847.db2.gz CCEGUHUFZQOGPR-UHFFFAOYSA-N 1 0 393.531 3.848 20 30 GHEDRO N#Cc1ccc(F)c(C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000809624737 887624754 /nfs/dbraw/zinc/62/47/54/887624754.db2.gz QJVRJJZSGLDAHU-UHFFFAOYSA-N 1 0 381.451 3.836 20 30 GHEDRO C[C@H](Cc1cccc(F)c1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001168501532 887643613 /nfs/dbraw/zinc/64/36/13/887643613.db2.gz SBBMVRHNNUWMQK-MRXNPFEDSA-N 1 0 380.467 3.914 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cc(Br)ccc2O)cc(OC)c1O ZINC000809713112 887733587 /nfs/dbraw/zinc/73/35/87/887733587.db2.gz IVOFRICFZBWLSR-UHFFFAOYSA-N 1 0 378.266 3.887 20 30 GHEDRO N#CCCN(Cc1cccnc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403098 913186603 /nfs/dbraw/zinc/18/66/03/913186603.db2.gz WNZGYVFZWZFAKR-FQEVSTJZSA-N 1 0 396.922 3.889 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000810088178 888142931 /nfs/dbraw/zinc/14/29/31/888142931.db2.gz VGJSROXYCLFCPQ-RTWAWAEBSA-N 1 0 399.535 3.561 20 30 GHEDRO COc1ccccc1[C@H](O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000194364567 888250622 /nfs/dbraw/zinc/25/06/22/888250622.db2.gz ATCMFKQHOFGFGA-HSZRJFAPSA-N 1 0 388.467 3.969 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000810189350 888275340 /nfs/dbraw/zinc/27/53/40/888275340.db2.gz OWOHFWNJUHXAHE-JTNHKYCSSA-N 1 0 392.359 3.788 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000532699118 888310600 /nfs/dbraw/zinc/31/06/00/888310600.db2.gz ALNKTMMTLDGQJM-GGXPGOJBSA-N 1 0 388.943 3.876 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000763266015 888410496 /nfs/dbraw/zinc/41/04/96/888410496.db2.gz MHHKTBNJQNIRIH-OAQYLSRUSA-N 1 0 377.488 3.827 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000810350247 888447489 /nfs/dbraw/zinc/44/74/89/888447489.db2.gz CYGNUWHDQGPDEB-UHFFFAOYSA-N 1 0 380.488 3.578 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(OC)c1OC ZINC000729683465 888477125 /nfs/dbraw/zinc/47/71/25/888477125.db2.gz QILFZOPTPRXQAY-SFHVURJKSA-N 1 0 390.524 3.921 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865692535 888518043 /nfs/dbraw/zinc/51/80/43/888518043.db2.gz DRJMCHBYTTXHIZ-UHFFFAOYSA-N 1 0 388.515 3.553 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193877266 888531768 /nfs/dbraw/zinc/53/17/68/888531768.db2.gz PFWMOLNOSNKQGL-HKUYNNGSSA-N 1 0 378.476 3.621 20 30 GHEDRO N#CCC[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000194267582 888571556 /nfs/dbraw/zinc/57/15/56/888571556.db2.gz OIRYCPMOXXIKRP-IRLDBZIGSA-N 1 0 376.504 3.853 20 30 GHEDRO CN(c1ccccc1C=NNC(=S)Nc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000915943119 888583100 /nfs/dbraw/zinc/58/31/00/888583100.db2.gz SUHLEOOXJOUVLD-UHFFFAOYSA-N 1 0 399.539 3.677 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2nnc(-c3ccccc3)n2C)ccc1O ZINC000915968627 888585445 /nfs/dbraw/zinc/58/54/45/888585445.db2.gz JVHYNFGRJPAALH-UHFFFAOYSA-N 1 0 392.507 3.866 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc(Oc3ccc(Cl)cn3)c2)CC1 ZINC000866015808 888691841 /nfs/dbraw/zinc/69/18/41/888691841.db2.gz SZAIHAFXAYBUEG-UHFFFAOYSA-N 1 0 383.879 3.745 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810653663 888716825 /nfs/dbraw/zinc/71/68/25/888716825.db2.gz LHXRRWMPEIOXIY-QHCPKHFHSA-N 1 0 398.510 3.801 20 30 GHEDRO CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc3c(c2)C(=O)CC3)no1 ZINC001211975526 888771028 /nfs/dbraw/zinc/77/10/28/888771028.db2.gz JQJSDUNFZVAJQZ-MJGOQNOKSA-N 1 0 383.492 3.944 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(OC)ccc2OC)no1 ZINC001211975743 888774410 /nfs/dbraw/zinc/77/44/10/888774410.db2.gz OWOPZQQJCGUEBK-YJBOKZPZSA-N 1 0 389.496 3.832 20 30 GHEDRO N#CCc1ccsc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000866350588 888841644 /nfs/dbraw/zinc/84/16/44/888841644.db2.gz AJAKFCFOZMVJFW-UHFFFAOYSA-N 1 0 397.544 3.615 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2cc(Br)cc(C#N)c2)C1 ZINC000810788190 888859900 /nfs/dbraw/zinc/85/99/00/888859900.db2.gz NGADQRDOQOIGDN-KRWDZBQOSA-N 1 0 383.261 3.576 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)C=NN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000747628612 888863704 /nfs/dbraw/zinc/86/37/04/888863704.db2.gz PMTVLJSPNBOUIG-QHCPKHFHSA-N 1 0 392.503 3.598 20 30 GHEDRO Cc1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000916307237 888911174 /nfs/dbraw/zinc/91/11/74/888911174.db2.gz YRWJAMSQAKIWKM-UHFFFAOYSA-N 1 0 380.561 3.766 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000810843535 888935107 /nfs/dbraw/zinc/93/51/07/888935107.db2.gz GAEAEBLEZBILQZ-UNMCSNQZSA-N 1 0 376.456 3.921 20 30 GHEDRO COc1cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc(OC)c1 ZINC000532933812 889317177 /nfs/dbraw/zinc/31/71/77/889317177.db2.gz UAJCKDHRIYAVBC-UHFFFAOYSA-N 1 0 381.476 3.672 20 30 GHEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000868157533 889326998 /nfs/dbraw/zinc/32/69/98/889326998.db2.gz GDMZVDWZPQLNTI-KRWDZBQOSA-N 1 0 379.302 3.550 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000532938666 889385934 /nfs/dbraw/zinc/38/59/34/889385934.db2.gz QHSZXDAJIXSVDR-KRWDZBQOSA-N 1 0 388.943 3.594 20 30 GHEDRO C=CCOc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000063080538 889493945 /nfs/dbraw/zinc/49/39/45/889493945.db2.gz KLFSTIYWFWZRFI-UHFFFAOYSA-N 1 0 394.515 3.902 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245758090 889654998 /nfs/dbraw/zinc/65/49/98/889654998.db2.gz YUBXDBBLFUJTHP-FXAWDEMLSA-N 1 0 385.870 3.968 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000122375076 889711114 /nfs/dbraw/zinc/71/11/14/889711114.db2.gz ZNCZEOKLZCJZAF-UHFFFAOYSA-N 1 0 395.890 3.876 20 30 GHEDRO C[C@@H]1C(N=Nc2nc(Br)cn3ccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000811643505 889838229 /nfs/dbraw/zinc/83/82/29/889838229.db2.gz DZNJAABISBVVNR-CYBMUJFWSA-N 1 0 399.296 3.554 20 30 GHEDRO COc1cccc(C2(F)CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000533213873 890047363 /nfs/dbraw/zinc/04/73/63/890047363.db2.gz CSPGSWYPFTUCSB-UHFFFAOYSA-N 1 0 387.480 3.918 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000811897269 890097118 /nfs/dbraw/zinc/09/71/18/890097118.db2.gz RUGZBWPIBSDHQD-KKSFZXQISA-N 1 0 396.922 3.934 20 30 GHEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001170651477 890179187 /nfs/dbraw/zinc/17/91/87/890179187.db2.gz WELQKIZEFDABCB-HMFYCAOWSA-N 1 0 399.498 3.949 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]3COc3ccccc3)C2=O)cc1 ZINC001170651825 890183747 /nfs/dbraw/zinc/18/37/47/890183747.db2.gz YUQFKCUMJRHSOT-UNMCSNQZSA-N 1 0 375.472 3.597 20 30 GHEDRO C[NH+]1CCC(CNC(=O)c2ccccc2SCC#N)(c2ccccc2)CC1 ZINC000870191904 890255536 /nfs/dbraw/zinc/25/55/36/890255536.db2.gz POQMCMVATWQCGB-UHFFFAOYSA-N 1 0 379.529 3.696 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000033084149 890285121 /nfs/dbraw/zinc/28/51/21/890285121.db2.gz WWNRIHRSJJVDGA-ZRDIBKRKSA-N 1 0 380.488 3.651 20 30 GHEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000497221309 890336923 /nfs/dbraw/zinc/33/69/23/890336923.db2.gz MZCJASDFGMFUKC-INIZCTEOSA-N 1 0 396.466 3.834 20 30 GHEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC001184797222 913441882 /nfs/dbraw/zinc/44/18/82/913441882.db2.gz RAXKKSJDFPEQNX-NRFANRHFSA-N 1 0 399.560 3.849 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000795164553 890694232 /nfs/dbraw/zinc/69/42/32/890694232.db2.gz NEHDRFFHBOKSCG-UHFFFAOYSA-N 1 0 376.913 3.955 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000533512149 890727120 /nfs/dbraw/zinc/72/71/20/890727120.db2.gz NDIBSDJUJLOCHV-JTDSTZFVSA-N 1 0 388.943 3.877 20 30 GHEDRO C#C[C@H](NC(=O)NCc1ccccc1OCC[NH+](CC)CC)c1ccc(F)cc1 ZINC000812875868 891056470 /nfs/dbraw/zinc/05/64/70/891056470.db2.gz YFQHPZYZSCWUEE-NRFANRHFSA-N 1 0 397.494 3.720 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000812881710 891061278 /nfs/dbraw/zinc/06/12/78/891061278.db2.gz YHAQXGJZHJCXKY-UZLBHIALSA-N 1 0 385.508 3.773 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455546907 891136290 /nfs/dbraw/zinc/13/62/90/891136290.db2.gz RRTYPZRTHLQQPD-KRWDZBQOSA-N 1 0 380.467 3.503 20 30 GHEDRO C=C(Cl)C[C@H](N)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000872177392 891200884 /nfs/dbraw/zinc/20/08/84/891200884.db2.gz IUAWYRHHWOMYJN-HNNXBMFYSA-N 1 0 396.322 3.674 20 30 GHEDRO N#CCc1ccsc1-c1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1 ZINC000872184560 891205499 /nfs/dbraw/zinc/20/54/99/891205499.db2.gz XNHXYUHMZTWWQX-UHFFFAOYSA-N 1 0 384.436 3.801 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813031292 891230069 /nfs/dbraw/zinc/23/00/69/891230069.db2.gz XMYVIPCVLAHPDF-SFTDATJTSA-N 1 0 395.478 3.645 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000067366840 891278994 /nfs/dbraw/zinc/27/89/94/891278994.db2.gz VIVUPUJNJJNMPP-UHFFFAOYSA-N 1 0 397.544 3.540 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000747838978 891311239 /nfs/dbraw/zinc/31/12/39/891311239.db2.gz VCWIRKIHJWJGEY-UHFFFAOYSA-N 1 0 381.398 3.526 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170698672 891350867 /nfs/dbraw/zinc/35/08/67/891350867.db2.gz SICUNGOHEKHKEP-STZQEDGTSA-N 1 0 377.475 3.896 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H](C)C1 ZINC000873699681 891762985 /nfs/dbraw/zinc/76/29/85/891762985.db2.gz NDPITUGCRWMMMP-QFUCXCTJSA-N 1 0 393.535 3.514 20 30 GHEDRO C=CCN(CC=C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000152609726 891771696 /nfs/dbraw/zinc/77/16/96/891771696.db2.gz CWBMMOAIRBITOK-UHFFFAOYSA-N 1 0 392.341 3.797 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cc(F)c4ncccc4c3)CC2)cc1 ZINC000873875491 891859929 /nfs/dbraw/zinc/85/99/29/891859929.db2.gz CPTSOIUAFKFFEV-UHFFFAOYSA-N 1 0 388.446 3.594 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000917556834 892203679 /nfs/dbraw/zinc/20/36/79/892203679.db2.gz NZGJGUJJPUARFZ-LFVJCYFKSA-N 1 0 385.483 3.833 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(CO)c1 ZINC000154497093 892422656 /nfs/dbraw/zinc/42/26/56/892422656.db2.gz CEEKEDOUUDXHCI-AWEZNQCLSA-O 1 0 383.493 3.540 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000814310547 892508611 /nfs/dbraw/zinc/50/86/11/892508611.db2.gz WOKOKAJUOGONNK-FQEVSTJZSA-N 1 0 391.519 3.995 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000533740287 892710877 /nfs/dbraw/zinc/71/08/77/892710877.db2.gz DJZAUKRPFYHDKX-SFTDATJTSA-N 1 0 396.535 3.948 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000933256332 892978119 /nfs/dbraw/zinc/97/81/19/892978119.db2.gz AUEBNBQARIIVSI-UHFFFAOYSA-N 1 0 392.503 3.597 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455684154 892981350 /nfs/dbraw/zinc/98/13/50/892981350.db2.gz XZFYUTIOEKJZRU-UHFFFAOYSA-N 1 0 377.492 3.816 20 30 GHEDRO C[N@H+](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1CCSC1 ZINC000154625040 893048338 /nfs/dbraw/zinc/04/83/38/893048338.db2.gz OATPXHLWOCTHDA-OAQYLSRUSA-N 1 0 397.519 3.663 20 30 GHEDRO C=CCNc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000129138386 893086758 /nfs/dbraw/zinc/08/67/58/893086758.db2.gz SYNNHNZUTYNTHA-FUHWJXTLSA-N 1 0 384.549 3.866 20 30 GHEDRO CC(C)(C#N)[C@H]1CCCC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000814727506 893104819 /nfs/dbraw/zinc/10/48/19/893104819.db2.gz QHWLPSKWRAEGDB-IBGZPJMESA-N 1 0 397.592 3.821 20 30 GHEDRO CCOP(=O)(CCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)OCC ZINC000876556195 893227022 /nfs/dbraw/zinc/22/70/22/893227022.db2.gz JSXQSIUWGHIUFH-UHFFFAOYSA-N 1 0 393.468 3.722 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 ZINC000876583196 893237578 /nfs/dbraw/zinc/23/75/78/893237578.db2.gz HKBSCEWQHJANBK-WBMJQRKESA-N 1 0 384.307 3.763 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2C2CC2)[C@H](C)C1 ZINC000933837924 893249619 /nfs/dbraw/zinc/24/96/19/893249619.db2.gz JYYAQORWWZISQG-UZLBHIALSA-N 1 0 384.524 3.694 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(C2CC2)c1 ZINC000933851196 893257216 /nfs/dbraw/zinc/25/72/16/893257216.db2.gz WHNRDQRAEAJHMN-UHFFFAOYSA-N 1 0 375.476 3.869 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000876664247 893280817 /nfs/dbraw/zinc/28/08/17/893280817.db2.gz QQCOEMRWMIWUBE-ABAIWWIYSA-N 1 0 379.913 3.774 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000876691242 893290962 /nfs/dbraw/zinc/29/09/62/893290962.db2.gz FVFBODRZLXVQQM-INIZCTEOSA-N 1 0 391.726 3.971 20 30 GHEDRO C[C@@H]([NH2+]C1(CNCc2cc(C#N)cnc2Cl)CCOCC1)c1ccccc1 ZINC000877047051 893456761 /nfs/dbraw/zinc/45/67/61/893456761.db2.gz TYULTFARJUXMAK-MRXNPFEDSA-N 1 0 384.911 3.596 20 30 GHEDRO Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(C[NH+](C)C)c1 ZINC000288463523 913775200 /nfs/dbraw/zinc/77/52/00/913775200.db2.gz OJRQIZWUVNSOSD-KRWDZBQOSA-N 1 0 380.467 3.532 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670195657 893631599 /nfs/dbraw/zinc/63/15/99/893631599.db2.gz XVHVWDCMWZYTKT-FQEVSTJZSA-N 1 0 383.515 3.649 20 30 GHEDRO CC(C)(C)OC(=O)N1CC=C(CC[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877491818 893644112 /nfs/dbraw/zinc/64/41/12/893644112.db2.gz OIRBSSKVWMIJJB-UHFFFAOYSA-N 1 0 376.888 3.654 20 30 GHEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000877615080 893719855 /nfs/dbraw/zinc/71/98/55/893719855.db2.gz MTLKHPBIRSOINH-QLXKLKPCSA-N 1 0 377.469 3.835 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000877654551 893744587 /nfs/dbraw/zinc/74/45/87/893744587.db2.gz QJLBSNYPDBOJAK-ILXRZTDVSA-N 1 0 377.451 3.951 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459534401 893752832 /nfs/dbraw/zinc/75/28/32/893752832.db2.gz QBUSOXWBNXNQMY-LJQANCHMSA-N 1 0 383.517 3.832 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](CC[NH2+]Cc2cccc(C#N)n2)c2ccccc21 ZINC000877672786 893755123 /nfs/dbraw/zinc/75/51/23/893755123.db2.gz AJCJYZBFNBTQCI-INIZCTEOSA-N 1 0 378.476 3.972 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000877810835 893821565 /nfs/dbraw/zinc/82/15/65/893821565.db2.gz PCKFEVDXFDLGNX-NRFANRHFSA-N 1 0 391.450 3.651 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000774866709 913834420 /nfs/dbraw/zinc/83/44/20/913834420.db2.gz UHMQITHNFOPKPB-AUUYWEPGSA-N 1 0 399.454 3.533 20 30 GHEDRO C#CCN(C)CCC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000815652545 894096471 /nfs/dbraw/zinc/09/64/71/894096471.db2.gz HPBJNFVAWJVABG-LJQANCHMSA-N 1 0 376.504 3.519 20 30 GHEDRO C[C@H](C#N)CN(Cc1cc(C#N)cc(CN(C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298997 894175889 /nfs/dbraw/zinc/17/58/89/894175889.db2.gz MHLKSGPTSMLNQM-QZTJIDSGSA-N 1 0 375.520 3.806 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935147130 894228444 /nfs/dbraw/zinc/22/84/44/894228444.db2.gz LJQWHTGTVLMXOY-PBHICJAKSA-N 1 0 395.931 3.625 20 30 GHEDRO CC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000537051016 894269487 /nfs/dbraw/zinc/26/94/87/894269487.db2.gz HMVKANVHOTUDPR-QFIPXVFZSA-N 1 0 394.490 3.919 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537088005 894319666 /nfs/dbraw/zinc/31/96/66/894319666.db2.gz PPQZONPWKYIRCI-ROUUACIJSA-N 1 0 394.519 3.798 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1OCc1ccccc1 ZINC000537133118 894384088 /nfs/dbraw/zinc/38/40/88/894384088.db2.gz GQJARIBCXZACAW-UZUQRXQVSA-N 1 0 377.488 3.725 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)c1ccccc1 ZINC000878636394 894474006 /nfs/dbraw/zinc/47/40/06/894474006.db2.gz HRVRDUHZRQWXTB-LOSJGSFVSA-N 1 0 390.527 3.744 20 30 GHEDRO C[C@@H]1COCC[C@H]1Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001170816261 894626166 /nfs/dbraw/zinc/62/61/66/894626166.db2.gz IKTPFAOZAIZDKD-DENIHFKCSA-N 1 0 390.531 3.976 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)nc1 ZINC000879026968 894793250 /nfs/dbraw/zinc/79/32/50/894793250.db2.gz ZCNWTKJRNVFWEM-UHFFFAOYSA-N 1 0 385.467 3.928 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])c1 ZINC000564334203 894873895 /nfs/dbraw/zinc/87/38/95/894873895.db2.gz ICCZJVHYLGUXGX-UHFFFAOYSA-N 1 0 379.416 3.797 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000564382115 894920301 /nfs/dbraw/zinc/92/03/01/894920301.db2.gz YHCXQOMLFWSEFQ-GOSISDBHSA-N 1 0 377.492 3.825 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000564609693 895120654 /nfs/dbraw/zinc/12/06/54/895120654.db2.gz YBTXASSFGDGQSU-UHFFFAOYSA-N 1 0 396.878 3.953 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)/C=C(\C)C23CC4CC(CC(C4)C2)C3)c1C#N ZINC000760308290 895157152 /nfs/dbraw/zinc/15/71/52/895157152.db2.gz TWNHTMCIRUHQIL-MKMNVTDBSA-N 1 0 381.524 3.535 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)C[C@H](C)O1 ZINC000564713272 895203382 /nfs/dbraw/zinc/20/33/82/895203382.db2.gz OPYAGQRESYTTAI-GASCZTMLSA-N 1 0 396.457 3.688 20 30 GHEDRO C[C@@H](C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000564742219 895218639 /nfs/dbraw/zinc/21/86/39/895218639.db2.gz PYYORNPSYIVIPD-KRWDZBQOSA-N 1 0 388.433 3.909 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000565088966 895385229 /nfs/dbraw/zinc/38/52/29/895385229.db2.gz PNKCEYQROHYFKH-SFHVURJKSA-N 1 0 381.907 3.705 20 30 GHEDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817418268 895593684 /nfs/dbraw/zinc/59/36/84/895593684.db2.gz ISLFSNGYKDIISU-JFIYKMOQSA-N 1 0 397.523 3.577 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(CC#N)cc1 ZINC000565418692 895612291 /nfs/dbraw/zinc/61/22/91/895612291.db2.gz CNBWNUQKPNJEKS-UHFFFAOYSA-N 1 0 378.520 3.806 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NCc2ccc(N(C)CCC#N)cc2)CC1 ZINC000128323102 895623213 /nfs/dbraw/zinc/62/32/13/895623213.db2.gz HFEHRIKOCCVPCN-UHFFFAOYSA-N 1 0 377.536 3.790 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000880467802 895721184 /nfs/dbraw/zinc/72/11/84/895721184.db2.gz JYLSAXRTJGNSFY-WMLDXEAASA-N 1 0 375.538 3.622 20 30 GHEDRO C=CCn1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)nn1 ZINC000818224512 896088808 /nfs/dbraw/zinc/08/88/08/896088808.db2.gz LQNCNOGBKZXXAE-AZUAARDMSA-N 1 0 397.523 3.695 20 30 GHEDRO N#CCCC1CC[NH+](CC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000566172710 896154374 /nfs/dbraw/zinc/15/43/74/896154374.db2.gz GKYJZYFFJSESBE-UHFFFAOYSA-N 1 0 391.515 3.898 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(CC#N)n1)c1cccc(C(F)(F)F)c1 ZINC000881147890 896198151 /nfs/dbraw/zinc/19/81/51/896198151.db2.gz RVHVRTKGBRDEIR-MRXNPFEDSA-N 1 0 391.397 3.591 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000881150210 896200901 /nfs/dbraw/zinc/20/09/01/896200901.db2.gz MXPFNJHXCMTYQG-TZIWHRDSSA-N 1 0 389.503 3.666 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C ZINC000818588676 896215551 /nfs/dbraw/zinc/21/55/51/896215551.db2.gz AYRBUWALMWVBFL-UHFFFAOYSA-N 1 0 380.275 3.642 20 30 GHEDRO C=C(Br)C[NH2+]C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000818978938 896297476 /nfs/dbraw/zinc/29/74/76/896297476.db2.gz CTFJEGMERRRNQE-AZUAARDMSA-N 1 0 390.321 3.960 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)c1 ZINC000819068189 896385685 /nfs/dbraw/zinc/38/56/85/896385685.db2.gz PESVVJXKTUTQNS-RTWAWAEBSA-N 1 0 382.504 3.822 20 30 GHEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819172053 896444576 /nfs/dbraw/zinc/44/45/76/896444576.db2.gz VEEUOYOSWAMRQZ-KZULUSFZSA-N 1 0 377.257 3.714 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)cc1C ZINC001170928260 896750494 /nfs/dbraw/zinc/75/04/94/896750494.db2.gz FTRVIZJBQUXCQN-QFIPXVFZSA-N 1 0 385.552 3.717 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC001137180002 896868075 /nfs/dbraw/zinc/86/80/75/896868075.db2.gz MXDFTTUTZKRNGB-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000820114483 897168386 /nfs/dbraw/zinc/16/83/86/897168386.db2.gz PTYDKHIQWRPHIJ-QGZVFWFLSA-N 1 0 380.319 3.567 20 30 GHEDRO C[C@]1(C#N)CCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000820816128 897543089 /nfs/dbraw/zinc/54/30/89/897543089.db2.gz GVGJHTXQNPRXEO-JOCHJYFZSA-N 1 0 397.523 3.659 20 30 GHEDRO CCOc1ccc(O)c(/C=N/[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000132441848 897790651 /nfs/dbraw/zinc/79/06/51/897790651.db2.gz DNZUQCFJBJSSMJ-XNQWGTPPSA-N 1 0 384.476 3.502 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000568567405 897942763 /nfs/dbraw/zinc/94/27/63/897942763.db2.gz WKWYXTSMIUUUGF-PKOBYXMFSA-N 1 0 393.384 3.973 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000821626168 897992501 /nfs/dbraw/zinc/99/25/01/897992501.db2.gz GCWKTJBQYSRLRD-ZDUSSCGKSA-N 1 0 377.391 3.565 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000568734029 898071254 /nfs/dbraw/zinc/07/12/54/898071254.db2.gz VCIADISYIOSLDP-UGKGYDQZSA-N 1 0 390.487 3.661 20 30 GHEDRO CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1nc(C)cs1 ZINC000105305228 898205755 /nfs/dbraw/zinc/20/57/55/898205755.db2.gz DFBHEGWJPPKTQM-IBGZPJMESA-N 1 0 397.548 3.692 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)[C@H](C)CC)c2)CC1 ZINC000106265128 898262788 /nfs/dbraw/zinc/26/27/88/898262788.db2.gz IUCWFFVXFGJCHI-QGZVFWFLSA-N 1 0 386.540 3.511 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@@H]4CCc5cccc(F)c5C4)C3)CC2=O)c1 ZINC001170995050 898568475 /nfs/dbraw/zinc/56/84/75/898568475.db2.gz ABCWYRLXDQYHGR-DVECYGJZSA-N 1 0 389.474 3.684 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1cc3ccccc3o1)c1ccccc1)C2 ZINC000884063979 898745106 /nfs/dbraw/zinc/74/51/06/898745106.db2.gz RYHZVWHLSMJLPS-AWTPMGBWSA-N 1 0 385.467 3.778 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000823033462 898801595 /nfs/dbraw/zinc/80/15/95/898801595.db2.gz OCQRXEMZVMNQQG-UHFFFAOYSA-N 1 0 393.491 3.652 20 30 GHEDRO C#C[C@@H](NC(=O)N(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000823186050 898876236 /nfs/dbraw/zinc/87/62/36/898876236.db2.gz IALDMJKPSHSPCD-XZOQPEGZSA-N 1 0 397.563 3.501 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001171013819 898953366 /nfs/dbraw/zinc/95/33/66/898953366.db2.gz VWZIQZXDMIXQRA-FQEVSTJZSA-N 1 0 392.478 3.841 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000331558852 898979425 /nfs/dbraw/zinc/97/94/25/898979425.db2.gz IVIQHXSVRWSCPV-SJORKVTESA-N 1 0 399.583 3.835 20 30 GHEDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1O ZINC000331915974 899262776 /nfs/dbraw/zinc/26/27/76/899262776.db2.gz JGDJYQZJQXFJBP-DLBZAZTESA-N 1 0 389.565 3.556 20 30 GHEDRO N#CC1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCSCC1 ZINC000823992462 899343954 /nfs/dbraw/zinc/34/39/54/899343954.db2.gz PILBVPYSAGDPDY-UHFFFAOYSA-N 1 0 375.563 3.850 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCCc2ccccc21)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156119728 899391250 /nfs/dbraw/zinc/39/12/50/899391250.db2.gz SAMICQTWMWCAKK-UNMCSNQZSA-N 1 0 399.579 3.732 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](CNC(=[NH2+])Nc3ccc(C)c(C)c3)C2)c1 ZINC000134097390 899577141 /nfs/dbraw/zinc/57/71/41/899577141.db2.gz RIFCOLYWQNJFBV-KRWDZBQOSA-N 1 0 382.508 3.574 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cnc4cc(C)ccn34)CC2)C1 ZINC001136885074 899665148 /nfs/dbraw/zinc/66/51/48/899665148.db2.gz FCYXYYKCMQZYKF-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc3cc(C)ccn13)CC2 ZINC001136885467 899665506 /nfs/dbraw/zinc/66/55/06/899665506.db2.gz YBJUEYSBPTYFSA-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1C ZINC001136923250 899766921 /nfs/dbraw/zinc/76/69/21/899766921.db2.gz KNLCBHFSWKCLMF-FQEVSTJZSA-N 1 0 395.503 3.652 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000571196505 899776096 /nfs/dbraw/zinc/77/60/96/899776096.db2.gz QJDGCQAJNAUBON-CQSZACIVSA-N 1 0 391.393 3.734 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(OCC(F)F)cc1)CCO2 ZINC001136938330 899797012 /nfs/dbraw/zinc/79/70/12/899797012.db2.gz RTLWWZANEMZGFO-WIYYLYMNSA-N 1 0 381.463 3.904 20 30 GHEDRO O=C(N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]2C1)C(F)(F)F ZINC000824828230 899849629 /nfs/dbraw/zinc/84/96/29/899849629.db2.gz MBUPKPJBKVCNLV-ZYHUDNBSSA-N 1 0 398.322 3.687 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000824872674 899878492 /nfs/dbraw/zinc/87/84/92/899878492.db2.gz WGTKOTZALOJRRF-UHFFFAOYSA-N 1 0 384.426 3.875 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121316068 900002686 /nfs/dbraw/zinc/00/26/86/900002686.db2.gz VDLDORUASQQYDH-UHFFFAOYSA-N 1 0 378.520 3.505 20 30 GHEDRO COc1ccc(Nc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2)cc1 ZINC000884431395 900076633 /nfs/dbraw/zinc/07/66/33/900076633.db2.gz STHHQSUURWQWIK-JXORXQGFSA-N 1 0 376.460 3.517 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2Br)cc1 ZINC000825305143 900080561 /nfs/dbraw/zinc/08/05/61/900080561.db2.gz DNGBVXSZAZAKJZ-LIRRHRJNSA-N 1 0 389.293 3.905 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134816028 900127532 /nfs/dbraw/zinc/12/75/32/900127532.db2.gz WAMJHNUZJDHEPA-LPTQZCDUSA-N 1 0 381.451 3.612 20 30 GHEDRO C[NH+]1CCN(c2ncccc2CNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000572397745 900170644 /nfs/dbraw/zinc/17/06/44/900170644.db2.gz KLVOVGRCWMFCCK-UHFFFAOYSA-N 1 0 392.894 3.519 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000572426760 900182953 /nfs/dbraw/zinc/18/29/53/900182953.db2.gz OOJSBEBMLXYLNN-IBGZPJMESA-N 1 0 397.567 3.622 20 30 GHEDRO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000135271461 900212530 /nfs/dbraw/zinc/21/25/30/900212530.db2.gz RFWSWSXWTPMBDM-KRWDZBQOSA-N 1 0 396.466 3.856 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[N@@H+]1C ZINC000289960236 914449468 /nfs/dbraw/zinc/44/94/68/914449468.db2.gz WWDBIPPMDJQIIV-QAPCUYQASA-N 1 0 379.464 3.692 20 30 GHEDRO CCc1ccc(-c2noc(CN3CCCN(c4ccccc4C#N)CC3)n2)cc1 ZINC000046086510 900632958 /nfs/dbraw/zinc/63/29/58/900632958.db2.gz HPTXREPLUHXVDV-UHFFFAOYSA-N 1 0 387.487 3.883 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573969228 900725821 /nfs/dbraw/zinc/72/58/21/900725821.db2.gz JBNKJIFBZGQUBK-SIKLNZKXSA-N 1 0 391.515 3.744 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000844322218 900727666 /nfs/dbraw/zinc/72/76/66/900727666.db2.gz AVADRTVBTIRDEK-QGZVFWFLSA-N 1 0 388.468 3.592 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371027 900736961 /nfs/dbraw/zinc/73/69/61/900736961.db2.gz VYKQZNZSQTZJOO-GOSISDBHSA-N 1 0 391.393 3.571 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000844354472 900757238 /nfs/dbraw/zinc/75/72/38/900757238.db2.gz KHDUBTOYOSYIBO-OKZBNKHCSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC000844457979 900849551 /nfs/dbraw/zinc/84/95/51/900849551.db2.gz BUADJNIKCOMFMP-FSSWDIPSSA-N 1 0 398.547 3.965 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056159860 900870243 /nfs/dbraw/zinc/87/02/43/900870243.db2.gz UAMNQLWEEHAKHS-CABCVRRESA-N 1 0 391.475 3.520 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccccc1 ZINC000063440634 900950534 /nfs/dbraw/zinc/95/05/34/900950534.db2.gz AZIVDQMBYCOQKT-UHFFFAOYSA-O 1 0 386.541 3.704 20 30 GHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)CCCCC#N)C1CCCCC1 ZINC000068897615 901100170 /nfs/dbraw/zinc/10/01/70/901100170.db2.gz BXLQMUHYIRRMEH-UHFFFAOYSA-N 1 0 377.554 3.564 20 30 GHEDRO C=C(C(=O)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)C(F)(F)F ZINC001144215527 901272053 /nfs/dbraw/zinc/27/20/53/901272053.db2.gz UELWNVUIOOUTDH-UHFFFAOYSA-N 1 0 380.332 3.905 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C ZINC001144203569 901281735 /nfs/dbraw/zinc/28/17/35/901281735.db2.gz BNRXACKKBGZTBG-GCJKJVERSA-N 1 0 393.572 3.591 20 30 GHEDRO COc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C1CC1 ZINC000845002196 901631799 /nfs/dbraw/zinc/63/17/99/901631799.db2.gz HNWQLVXXPODRKQ-UHFFFAOYSA-N 1 0 389.499 3.839 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Cl)nc(Cl)c3)CC2)c1 ZINC000845006157 901637804 /nfs/dbraw/zinc/63/78/04/901637804.db2.gz CIDLQEOHCPMVQN-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000290193852 914567459 /nfs/dbraw/zinc/56/74/59/914567459.db2.gz OYOLMPVMBLITBM-QHCPKHFHSA-N 1 0 381.495 3.603 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000576607779 902127951 /nfs/dbraw/zinc/12/79/51/902127951.db2.gz GQOPTNXQJYMSOU-HXUWFJFHSA-N 1 0 391.943 3.757 20 30 GHEDRO CC(C)C(=O)NCCc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001171185375 902212049 /nfs/dbraw/zinc/21/20/49/902212049.db2.gz IGHALTSJZPGFRF-UHFFFAOYSA-N 1 0 375.472 3.897 20 30 GHEDRO COc1ccc(F)c(CN2CCC([NH2+][C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171192845 902259236 /nfs/dbraw/zinc/25/92/36/902259236.db2.gz BWKYRHZLUYASSI-QGZVFWFLSA-N 1 0 381.495 3.891 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)n1cc(Br)ccc1=NCCCC[NH3+] ZINC001171193149 902262388 /nfs/dbraw/zinc/26/23/88/902262388.db2.gz UAJACULWKOUKSB-HNNXBMFYSA-N 1 0 387.325 3.566 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000845664481 902316440 /nfs/dbraw/zinc/31/64/40/902316440.db2.gz CCPQAIJBUXPBNE-KRWDZBQOSA-N 1 0 397.350 3.605 20 30 GHEDRO CCC[N@H+](CC(=O)N(Cc1ccc(OC)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000047726445 902343481 /nfs/dbraw/zinc/34/34/81/902343481.db2.gz DBZBUBWJQOKXAP-UHFFFAOYSA-N 1 0 391.515 3.970 20 30 GHEDRO C=CCOc1c(Br)cc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1OC ZINC000126690724 902353681 /nfs/dbraw/zinc/35/36/81/902353681.db2.gz YIZXVXJZANZBKK-YIONKMFJSA-N 1 0 382.298 3.510 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)ccc1OC1CCOCC1 ZINC001171198748 902376404 /nfs/dbraw/zinc/37/64/04/902376404.db2.gz PIBJRAWLGZKXFS-QGZVFWFLSA-N 1 0 380.488 3.845 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)cc1 ZINC001144571999 902403723 /nfs/dbraw/zinc/40/37/23/902403723.db2.gz MRRPAAIVGUSLIL-OAQYLSRUSA-N 1 0 385.433 3.940 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001144572399 902403767 /nfs/dbraw/zinc/40/37/67/902403767.db2.gz YDLBQTVWUQKQQF-JOCHJYFZSA-N 1 0 381.470 3.796 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(F)c(OC)cc2OC)ccc1OC ZINC000845942110 902547032 /nfs/dbraw/zinc/54/70/32/902547032.db2.gz ZGVLMJRSRWEDTQ-MRXNPFEDSA-N 1 0 388.439 3.822 20 30 GHEDRO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000159105366 902572347 /nfs/dbraw/zinc/57/23/47/902572347.db2.gz VZONEMMARBBNAR-VBHSOAQHSA-N 1 0 375.394 3.885 20 30 GHEDRO C[N@@H+](Cc1cnc(CCc2ccccc2)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006549 902587641 /nfs/dbraw/zinc/58/76/41/902587641.db2.gz IYSZGESCHQPAPY-OAQYLSRUSA-N 1 0 377.513 3.965 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cscc1Br)CC2 ZINC001275539236 914641514 /nfs/dbraw/zinc/64/15/14/914641514.db2.gz GSKXPTWSHJUVQO-UHFFFAOYSA-N 1 0 383.355 3.901 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000263870177 902629696 /nfs/dbraw/zinc/62/96/96/902629696.db2.gz ZPBPKFRUFRIFRI-UHFFFAOYSA-N 1 0 381.476 3.580 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3c(Cl)nc4ccccn43)CC2)c1 ZINC000846108125 902686022 /nfs/dbraw/zinc/68/60/22/902686022.db2.gz VPWIMLWXVKLPBC-UHFFFAOYSA-N 1 0 379.895 3.614 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@@H+]([C@H](C)Cc3cccc(C#N)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001171213218 902709721 /nfs/dbraw/zinc/70/97/21/902709721.db2.gz XDIHYEINELFBTN-FJGOKHBRSA-N 1 0 397.544 3.703 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccccc3OCC#N)C2)s1 ZINC000846101172 902716301 /nfs/dbraw/zinc/71/63/01/902716301.db2.gz FRQUVEIVTODJLB-KRWDZBQOSA-N 1 0 383.517 3.553 20 30 GHEDRO Cc1sc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1-c1cn(CC2(CC#N)CC2)nn1 ZINC000887534049 902737100 /nfs/dbraw/zinc/73/71/00/902737100.db2.gz ULNDSODXOPBQCG-MQVJKMGUSA-N 1 0 382.537 3.744 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CC1 ZINC000600723451 902844999 /nfs/dbraw/zinc/84/49/99/902844999.db2.gz UPFYAADIBHGYQM-JOCHJYFZSA-N 1 0 386.499 3.743 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CCCCSc2ccccc2Br)CC1 ZINC000600726861 902848500 /nfs/dbraw/zinc/84/85/00/902848500.db2.gz VTRBGSDMMKTPJL-AWEZNQCLSA-N 1 0 383.355 3.966 20 30 GHEDRO COc1cccc([C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2cc(F)ccc2OC)c1 ZINC000600727903 902851632 /nfs/dbraw/zinc/85/16/32/902851632.db2.gz LKZYDCZKHGUXDH-UTKZUKDTSA-N 1 0 384.451 3.577 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(c3cccc(Br)c3)CCCC2)CC1 ZINC000600730200 902852620 /nfs/dbraw/zinc/85/26/20/902852620.db2.gz ZGYZREGIJFXMKB-QGZVFWFLSA-N 1 0 377.326 3.905 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001171223716 902942825 /nfs/dbraw/zinc/94/28/25/902942825.db2.gz NRIYCQKSFMLTHK-SXSPYAJSSA-N 1 0 389.499 3.975 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001171232653 903046601 /nfs/dbraw/zinc/04/66/01/903046601.db2.gz VARAGVUIKGUUQU-KRWDZBQOSA-N 1 0 387.487 3.647 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001171232693 903047974 /nfs/dbraw/zinc/04/79/74/903047974.db2.gz VDQUMJHXKJSHBU-QGZVFWFLSA-N 1 0 382.529 3.772 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](CCc1ccc(Br)cc1)CC2 ZINC001275546617 914700758 /nfs/dbraw/zinc/70/07/58/914700758.db2.gz ITEHJTNIMPXSFR-UHFFFAOYSA-N 1 0 391.353 3.882 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000772957682 903283288 /nfs/dbraw/zinc/28/32/88/903283288.db2.gz AYKPDANIEAYSBE-INIZCTEOSA-N 1 0 385.895 3.930 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000577893330 903315065 /nfs/dbraw/zinc/31/50/65/903315065.db2.gz JOCZMFXDACCKMJ-FQEVSTJZSA-N 1 0 397.519 3.870 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)cc1 ZINC000846971703 903332236 /nfs/dbraw/zinc/33/22/36/903332236.db2.gz DPZIAGKCPLYBLU-PMACEKPBSA-N 1 0 376.504 3.823 20 30 GHEDRO CC(C)[C@@H](c1ccccc1)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264833636 903410923 /nfs/dbraw/zinc/41/09/23/903410923.db2.gz RRDBOUQWEIDRSR-RXVVDRJESA-N 1 0 388.471 3.841 20 30 GHEDRO C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCC(C)CC1 ZINC000601184746 903439833 /nfs/dbraw/zinc/43/98/33/903439833.db2.gz MYXJRPLUWGUJTH-LJQANCHMSA-N 1 0 376.504 3.723 20 30 GHEDRO CC(=O)O[C@H]1Cc2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC001171277152 903526601 /nfs/dbraw/zinc/52/66/01/903526601.db2.gz LFBGEMQEJAROQT-QHCPKHFHSA-N 1 0 389.499 3.687 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000264981330 903530588 /nfs/dbraw/zinc/53/05/88/903530588.db2.gz AJLVCMNVKARALS-UHFFFAOYSA-N 1 0 381.476 3.735 20 30 GHEDRO CCOC(=O)c1c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cccc1OC ZINC001171282446 903581496 /nfs/dbraw/zinc/58/14/96/903581496.db2.gz NFSNUVKRPGKHHY-UHFFFAOYSA-N 1 0 393.487 3.842 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000578283998 903692834 /nfs/dbraw/zinc/69/28/34/903692834.db2.gz GFACCSRANQDLRP-UHFFFAOYSA-N 1 0 397.567 3.935 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCCCCSc1ccccc1Br ZINC001147304542 903747223 /nfs/dbraw/zinc/74/72/23/903747223.db2.gz OSUPYQTWHUZJKW-UHFFFAOYSA-N 1 0 385.371 3.946 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000265248170 903753655 /nfs/dbraw/zinc/75/36/55/903753655.db2.gz QDWXTRYQRVJMTN-UHFFFAOYSA-N 1 0 390.409 3.541 20 30 GHEDRO COC1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000265263692 903762945 /nfs/dbraw/zinc/76/29/45/903762945.db2.gz YWKLNOWOKTXVJY-UHFFFAOYSA-N 1 0 375.538 3.717 20 30 GHEDRO COC(=O)[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000578379374 903783571 /nfs/dbraw/zinc/78/35/71/903783571.db2.gz LJEHJGCUJNPDOU-GMAHTHKFSA-N 1 0 391.515 3.664 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000772982946 903857405 /nfs/dbraw/zinc/85/74/05/903857405.db2.gz GHKXBWQJDISWFP-KWOQKUFVSA-N 1 0 393.531 3.747 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2OC)c1 ZINC000772984764 903863356 /nfs/dbraw/zinc/86/33/56/903863356.db2.gz PYYAZVGRKQOWSX-WMZOPIPTSA-N 1 0 381.476 3.883 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000578621516 904012350 /nfs/dbraw/zinc/01/23/50/904012350.db2.gz WFBXCDARHPWKTI-JOCHJYFZSA-N 1 0 391.540 3.914 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000578626137 904014667 /nfs/dbraw/zinc/01/46/67/904014667.db2.gz ASIIFYUKSPLWIW-MRXNPFEDSA-N 1 0 393.457 3.527 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)n2c1 ZINC000578635763 904022205 /nfs/dbraw/zinc/02/22/05/904022205.db2.gz OPWDHHNORCXFDZ-QFIPXVFZSA-N 1 0 395.466 3.546 20 30 GHEDRO CSCc1cnc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000578674297 904041769 /nfs/dbraw/zinc/04/17/69/904041769.db2.gz GTQZZVXFPLJEQY-CQSZACIVSA-N 1 0 376.526 3.775 20 30 GHEDRO COc1ccc(CNc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1C#N ZINC000151375039 904116806 /nfs/dbraw/zinc/11/68/06/904116806.db2.gz LVPJIBGITYKPRF-UHFFFAOYSA-N 1 0 378.520 3.957 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)[C@H]1CCCO1 ZINC000578818747 904147576 /nfs/dbraw/zinc/14/75/76/904147576.db2.gz OBRCOKORPBOJPB-VQTJNVASSA-N 1 0 398.482 3.591 20 30 GHEDRO CCC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000152452252 904269659 /nfs/dbraw/zinc/26/96/59/904269659.db2.gz BJDFKXLYMUVFOY-UHFFFAOYSA-N 1 0 378.476 3.747 20 30 GHEDRO COc1cccc(C2([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CCOCC2)c1F ZINC000775049322 914806545 /nfs/dbraw/zinc/80/65/45/914806545.db2.gz YLVNYQGHGWJWEO-INIZCTEOSA-N 1 0 384.451 3.921 20 30 GHEDRO C[NH+](C)CC1(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)CCCCC1 ZINC000579186456 904407650 /nfs/dbraw/zinc/40/76/50/904407650.db2.gz BIYVLFGDRIOZCN-MRXNPFEDSA-N 1 0 383.414 3.778 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000509530175 904469114 /nfs/dbraw/zinc/46/91/14/904469114.db2.gz XQNDVXCXUJIMEN-TZIWHRDSSA-N 1 0 391.515 3.922 20 30 GHEDRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c(C#N)c1 ZINC001186837780 914814940 /nfs/dbraw/zinc/81/49/40/914814940.db2.gz IPTYHESHJFJAQN-UHFFFAOYSA-N 1 0 397.544 3.721 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171394882 904491484 /nfs/dbraw/zinc/49/14/84/904491484.db2.gz VQPKPKKMSJZHBF-LLVKDONJSA-N 1 0 378.657 3.832 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1 ZINC001171396402 904494190 /nfs/dbraw/zinc/49/41/90/904494190.db2.gz LBCCVUBIWVLBHM-DEFGELQHSA-N 1 0 385.533 3.816 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000104153267 904544815 /nfs/dbraw/zinc/54/48/15/904544815.db2.gz AYHFAQKZIZXPJI-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773258302 904625194 /nfs/dbraw/zinc/62/51/94/904625194.db2.gz BIPADYAXLPAOBB-UHFFFAOYSA-N 1 0 390.878 3.920 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000188097302 904873279 /nfs/dbraw/zinc/87/32/79/904873279.db2.gz CDFVZSRDHNWDOF-FQEVSTJZSA-N 1 0 377.488 3.684 20 30 GHEDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCc2ccc(Cl)cc21 ZINC001171719175 904946464 /nfs/dbraw/zinc/94/64/64/904946464.db2.gz OUHWTKBCPMUNEY-OXQOHEQNSA-N 1 0 384.907 3.808 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCC(C(=O)OC(C)(C)C)CC1)CCO2 ZINC001171926616 905181966 /nfs/dbraw/zinc/18/19/66/905181966.db2.gz JCGHEVANGLYZHH-VOIIDZAXSA-N 1 0 393.568 3.961 20 30 GHEDRO Cc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1C#N ZINC001171949490 905198750 /nfs/dbraw/zinc/19/87/50/905198750.db2.gz TVGSPZXEWAPUHI-FQEVSTJZSA-N 1 0 385.305 3.639 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4C)cc(C#N)c21 ZINC001172118635 905374386 /nfs/dbraw/zinc/37/43/86/905374386.db2.gz SQQSDUKBWDXLQM-RWXMBLCBSA-N 1 0 378.520 3.709 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C)C(C)C ZINC000627073204 905411621 /nfs/dbraw/zinc/41/16/21/905411621.db2.gz GUOJDZGFLTXQAJ-DYESRHJHSA-N 1 0 398.551 3.977 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@@H+]([C@H](C)Cc4ccc(C#N)cc4)C3)C2=O)c1 ZINC001172307113 905463663 /nfs/dbraw/zinc/46/36/63/905463663.db2.gz DVLJDOWMVYLBNK-NLFFAJNJSA-N 1 0 387.527 3.922 20 30 GHEDRO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)Cc2cnn(CC3CC3)c21 ZINC001172308450 905465083 /nfs/dbraw/zinc/46/50/83/905465083.db2.gz NDJPLGMBNQJYME-JTSKRJEESA-N 1 0 378.520 3.732 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)CC1 ZINC001172308757 905465222 /nfs/dbraw/zinc/46/52/22/905465222.db2.gz MWVANIODSOMGFI-LJQANCHMSA-N 1 0 381.520 3.990 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001172351018 905518896 /nfs/dbraw/zinc/51/88/96/905518896.db2.gz QSLVRIWBZPCKAS-GOSISDBHSA-N 1 0 381.586 3.963 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CN(CCOC)C(=O)[C@H]2COC)CC1 ZINC001172355052 905523926 /nfs/dbraw/zinc/52/39/26/905523926.db2.gz MBTISRDBJXSWNL-NHCUHLMSSA-N 1 0 396.616 3.959 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001172354460 905524873 /nfs/dbraw/zinc/52/48/73/905524873.db2.gz HAAJSAUTVIXXBQ-LJQANCHMSA-N 1 0 388.556 3.814 20 30 GHEDRO CCCCCCC[C@H](CC)N1Cc2nccn2C[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC001172355316 905524931 /nfs/dbraw/zinc/52/49/31/905524931.db2.gz NUMSPFQCOOBPNG-YADHBBJMSA-N 1 0 389.632 3.701 20 30 GHEDRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172496168 905597518 /nfs/dbraw/zinc/59/75/18/905597518.db2.gz KMARXGCBFDVFJZ-CTNGQTDRSA-N 1 0 383.536 3.566 20 30 GHEDRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172496172 905597771 /nfs/dbraw/zinc/59/77/71/905597771.db2.gz KMARXGCBFDVFJZ-FPOVZHCZSA-N 1 0 383.536 3.566 20 30 GHEDRO CC1(C)CC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC(C)(C)O1 ZINC001172660505 905724510 /nfs/dbraw/zinc/72/45/10/905724510.db2.gz KDGYBTGTVSPTNM-UHFFFAOYSA-N 1 0 384.524 3.880 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172681372 905761969 /nfs/dbraw/zinc/76/19/69/905761969.db2.gz LCODRSMSIJJURT-FCHUYYIVSA-N 1 0 389.499 3.593 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@H]4Cc5ccc(Cl)cc5C4)C3)CC2=O)c1 ZINC001172718092 905768333 /nfs/dbraw/zinc/76/83/33/905768333.db2.gz JHZOAMCVYLCVCU-GMAHTHKFSA-N 1 0 391.902 3.808 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172718996 905768442 /nfs/dbraw/zinc/76/84/42/905768442.db2.gz YQFOXAUJDNPWRK-NRFANRHFSA-N 1 0 379.891 3.573 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCC[C@H](C(=O)OC)CC1)CC2 ZINC001172782677 905823574 /nfs/dbraw/zinc/82/35/74/905823574.db2.gz PHFBMZHVFVQCAI-RBUKOAKNSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1OC ZINC000628135844 905979035 /nfs/dbraw/zinc/97/90/35/905979035.db2.gz KBRVXHWRJBFMDZ-KRWDZBQOSA-N 1 0 392.927 3.652 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1Cl ZINC001172970632 906033502 /nfs/dbraw/zinc/03/35/02/906033502.db2.gz IJCYEBGISLZTRI-CABCVRRESA-N 1 0 379.888 3.730 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976026 906040799 /nfs/dbraw/zinc/04/07/99/906040799.db2.gz KXQGSIYQKRKMLZ-AOIWGVFYSA-N 1 0 384.524 3.887 20 30 GHEDRO COc1ccc(CC2([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CC2)cc1 ZINC001172975231 906040870 /nfs/dbraw/zinc/04/08/70/906040870.db2.gz XQYBALXVGHXQTM-ROUUACIJSA-N 1 0 385.508 3.652 20 30 GHEDRO CC(C)CC1(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCOCC1 ZINC001172978404 906045717 /nfs/dbraw/zinc/04/57/17/906045717.db2.gz PWPHFXXYOKNABI-MSOLQXFVSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C[C@H]1C#N ZINC001172978557 906046037 /nfs/dbraw/zinc/04/60/37/906046037.db2.gz NOZOJZSTCUGQPU-BZSNNMDCSA-N 1 0 375.900 3.688 20 30 GHEDRO Cc1ccccc1O[C@H]1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172985588 906052324 /nfs/dbraw/zinc/05/23/24/906052324.db2.gz RZOMQYRIGOTKEC-FHWLQOOXSA-N 1 0 385.508 3.740 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3ccc(F)cc3c3c2CC[NH2+]C3)C[C@H]1C#N ZINC001172988473 906053664 /nfs/dbraw/zinc/05/36/64/906053664.db2.gz BPHSBQRJCKBBSW-CVEARBPZSA-N 1 0 398.482 3.890 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(CCC(C)(C)O3)CC2)C[C@H]1C#N ZINC001172989766 906053902 /nfs/dbraw/zinc/05/39/02/906053902.db2.gz ITVUASPVGQHZFZ-SJORKVTESA-N 1 0 377.529 3.702 20 30 GHEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)C1 ZINC000628405011 906097704 /nfs/dbraw/zinc/09/77/04/906097704.db2.gz BCVMNFLFVKLMSW-IBGZPJMESA-N 1 0 386.536 3.875 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)C[C@H]1C#N ZINC001172994484 906105452 /nfs/dbraw/zinc/10/54/52/906105452.db2.gz WDBOVTZKFBOMDN-AOIWGVFYSA-N 1 0 389.471 3.570 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177334365 906108211 /nfs/dbraw/zinc/10/82/11/906108211.db2.gz UCENKEUYSZSGIR-KSZLIROESA-N 1 0 386.565 3.578 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C2 ZINC001173070144 906162444 /nfs/dbraw/zinc/16/24/44/906162444.db2.gz LOLGBJQFKWRLGP-NXWNEQKCSA-N 1 0 394.556 3.601 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3cc(Br)cc(F)c3C#N)c2)CC1 ZINC001212717322 906341449 /nfs/dbraw/zinc/34/14/49/906341449.db2.gz YMFIIYMBWKKMNL-UHFFFAOYSA-N 1 0 389.272 3.955 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)CC1 ZINC001173320624 906369110 /nfs/dbraw/zinc/36/91/10/906369110.db2.gz BJGCQUFFCIYHHB-UHFFFAOYSA-N 1 0 385.508 3.912 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001173322062 906370222 /nfs/dbraw/zinc/37/02/22/906370222.db2.gz XVQYILKYXRCOIX-FDTLVRFQSA-N 1 0 386.536 3.734 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@H](C[NH2+]C3CCC(CC#N)CC3)CO2)CC1 ZINC001173325865 906374077 /nfs/dbraw/zinc/37/40/77/906374077.db2.gz PAUIKRCFVIGAPB-JLAWEPINSA-N 1 0 391.556 3.855 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)CC1 ZINC001173335043 906378162 /nfs/dbraw/zinc/37/81/62/906378162.db2.gz CZKGEQGKVBJOIB-VZKWCCSDSA-N 1 0 383.536 3.942 20 30 GHEDRO Cc1nc(CN2CCO[C@@H]3CC[N@@H+](C4CCC(CC#N)CC4)CC[C@@H]32)cs1 ZINC001173335717 906379007 /nfs/dbraw/zinc/37/90/07/906379007.db2.gz WBOUJUKUAWLGFP-NLDTVIPQSA-N 1 0 388.581 3.589 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(S)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC001173378811 906409089 /nfs/dbraw/zinc/40/90/89/906409089.db2.gz LYIPYBFKUVSEOY-DJIMGWMZSA-N 1 0 399.597 3.849 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001173421184 906456065 /nfs/dbraw/zinc/45/60/65/906456065.db2.gz PCSZBWBZPBNYEK-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]C3(c4ccc(F)cc4F)CC3)CC2)cc1 ZINC001173424219 906459987 /nfs/dbraw/zinc/45/99/87/906459987.db2.gz DZKLYEAUFPPJIP-UHFFFAOYSA-N 1 0 381.426 3.720 20 30 GHEDRO CC(C)(Cc1ccccc1F)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173423972 906460314 /nfs/dbraw/zinc/46/03/14/906460314.db2.gz AIFVYJLBRNQIEV-UHFFFAOYSA-N 1 0 379.479 3.913 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCOc3cccc4ccccc43)CC2)cc1 ZINC001173426157 906461447 /nfs/dbraw/zinc/46/14/47/906461447.db2.gz QUWJIURQKJJTEZ-UHFFFAOYSA-N 1 0 399.494 3.985 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCOc4cc(F)cc(F)c43)CC2)cc1 ZINC001173425370 906461687 /nfs/dbraw/zinc/46/16/87/906461687.db2.gz SKNVJHSEHOWKIC-IBGZPJMESA-N 1 0 397.425 3.554 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3COc4cc(Cl)ccc43)CC2)cc1 ZINC001173426676 906463273 /nfs/dbraw/zinc/46/32/73/906463273.db2.gz DSHDRBBYWIOFBU-LJQANCHMSA-N 1 0 381.863 3.540 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCCc4cc(F)ccc43)CC2)cc1 ZINC001173428514 906465146 /nfs/dbraw/zinc/46/51/46/906465146.db2.gz PYCIRWWEFKBZSL-QFIPXVFZSA-N 1 0 377.463 3.969 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCc3ccc(F)cc3Cl)CC2)cc1 ZINC001173428670 906465351 /nfs/dbraw/zinc/46/53/51/906465351.db2.gz SXPWLCBLJAOFAV-UHFFFAOYSA-N 1 0 385.870 3.788 20 30 GHEDRO COc1ccc([C@@H](C)[N@H+](C)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173433587 906468729 /nfs/dbraw/zinc/46/87/29/906468729.db2.gz RSAZLZWSYPDKNM-QGZVFWFLSA-N 1 0 377.488 3.864 20 30 GHEDRO CC(C)([NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC001173462394 906501274 /nfs/dbraw/zinc/50/12/74/906501274.db2.gz NVQBXRCJLGZUHW-UHFFFAOYSA-N 1 0 391.515 3.591 20 30 GHEDRO Cc1nc(CN2CC[C@@]3(CCC[N@@H+](C4CCC(C)(C#N)CC4)C3)C2=O)cs1 ZINC001173595480 906548636 /nfs/dbraw/zinc/54/86/36/906548636.db2.gz ZIJQYPKQXQOSNP-DQVLVPHSSA-N 1 0 386.565 3.739 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCN([C@@H]2CC[N@@H+](C3CCC(C)(C#N)CC3)C2)CC1 ZINC001173597043 906551649 /nfs/dbraw/zinc/55/16/49/906551649.db2.gz KHOAKVGZZRASLV-GSVIPDFHSA-N 1 0 390.572 3.522 20 30 GHEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179657429 906552377 /nfs/dbraw/zinc/55/23/77/906552377.db2.gz LYWKNSVMCOPIKZ-KRWDZBQOSA-N 1 0 391.515 3.996 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CCN(Cc3ccccc3C#N)CC1)CC2 ZINC001173605409 906558635 /nfs/dbraw/zinc/55/86/35/906558635.db2.gz DYTHQWIEGHNFNA-HMXGKDEJSA-N 1 0 395.547 3.624 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000179745571 906580634 /nfs/dbraw/zinc/58/06/34/906580634.db2.gz OKUHPQNRZHMTPC-UHFFFAOYSA-N 1 0 376.504 3.887 20 30 GHEDRO C#CCN(C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1)C1CCCC1 ZINC000779400718 906739103 /nfs/dbraw/zinc/73/91/03/906739103.db2.gz PUUABQGKKVEJBE-FCHUYYIVSA-N 1 0 381.520 3.560 20 30 GHEDRO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OCCCC#N ZINC000180785603 906844305 /nfs/dbraw/zinc/84/43/05/906844305.db2.gz AIKRRADRKLQLCD-CTNGQTDRSA-N 1 0 383.536 3.826 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000180879483 906869200 /nfs/dbraw/zinc/86/92/00/906869200.db2.gz YWSVGUAGPFYEQE-INIZCTEOSA-N 1 0 390.409 3.743 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181302216 906970360 /nfs/dbraw/zinc/97/03/60/906970360.db2.gz SHCPYOOMZSELJD-QGZVFWFLSA-N 1 0 393.491 3.682 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000181419932 906996298 /nfs/dbraw/zinc/99/62/98/906996298.db2.gz YDTMDMYGHIMPLB-CQSZACIVSA-N 1 0 396.878 3.628 20 30 GHEDRO C[C@H](O)C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181896876 907097994 /nfs/dbraw/zinc/09/79/94/907097994.db2.gz LAWDEMXRJSLWHR-CVDCTZTESA-N 1 0 377.532 3.667 20 30 GHEDRO COc1c(Br)cc(Br)c(Nc2cc[nH+]c(C)c2)c1C#N ZINC001174656233 907153764 /nfs/dbraw/zinc/15/37/64/907153764.db2.gz IBLYGJIOZPFSAA-UHFFFAOYSA-N 1 0 397.070 3.961 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(O[C@H]4CCOC4)cc3)CC2)cc1 ZINC000182205935 907157456 /nfs/dbraw/zinc/15/74/56/907157456.db2.gz GGIATIKBZZXURI-QHCPKHFHSA-N 1 0 377.488 3.802 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC001174736058 907183320 /nfs/dbraw/zinc/18/33/20/907183320.db2.gz PTGPERMUICEKJR-INIZCTEOSA-N 1 0 378.259 3.517 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(C#N)cc3OC(F)(F)F)cc2)CC1 ZINC001174815633 907213857 /nfs/dbraw/zinc/21/38/57/907213857.db2.gz QLELMKFLGDKIEV-UHFFFAOYSA-N 1 0 376.382 3.952 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000183109741 907327726 /nfs/dbraw/zinc/32/77/26/907327726.db2.gz YSRHFXRMZJAGDA-QGZVFWFLSA-N 1 0 381.476 3.950 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000192019039 907363347 /nfs/dbraw/zinc/36/33/47/907363347.db2.gz IUZIVVXCEPDAEQ-MJGOQNOKSA-N 1 0 390.270 3.923 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c(C#N)c1C ZINC000183601596 907419708 /nfs/dbraw/zinc/41/97/08/907419708.db2.gz VOFDPZXMQIPCMD-CABCVRRESA-N 1 0 377.448 3.632 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000184338162 907565006 /nfs/dbraw/zinc/56/50/06/907565006.db2.gz VUMLCWYOPBOEOG-INIZCTEOSA-N 1 0 384.455 3.712 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(CO)CCCCCCC2)ccc1Cl ZINC001175503533 907590013 /nfs/dbraw/zinc/59/00/13/907590013.db2.gz OFVGNGPDKJSQLJ-UHFFFAOYSA-N 1 0 391.943 3.960 20 30 GHEDRO CN(Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001175820512 907777846 /nfs/dbraw/zinc/77/78/46/907777846.db2.gz DEYJIGIFTIEQRI-FQEVSTJZSA-N 1 0 378.476 3.953 20 30 GHEDRO COCC#CC[N@@H+]1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001175975695 907848242 /nfs/dbraw/zinc/84/82/42/907848242.db2.gz YYFSLCMWISCUJJ-AZUAARDMSA-N 1 0 378.557 3.822 20 30 GHEDRO C[NH+](C)Cc1ccc(Nc2cc(C#N)ccc2I)cc1 ZINC001176292795 908015996 /nfs/dbraw/zinc/01/59/96/908015996.db2.gz VLQDRWISNCFCLH-UHFFFAOYSA-N 1 0 377.229 3.968 20 30 GHEDRO N#Cc1cc(Br)ccc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176383032 908061404 /nfs/dbraw/zinc/06/14/04/908061404.db2.gz IOXAXCGSXSVXAP-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187970036 908162167 /nfs/dbraw/zinc/16/21/67/908162167.db2.gz DDXBTZXIPWGQBM-FTRWYGJKSA-N 1 0 375.538 3.502 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ncccc3OCCCC#N)C2)CC1 ZINC000188734233 908243626 /nfs/dbraw/zinc/24/36/26/908243626.db2.gz UNGORAYNMROTSA-IBGZPJMESA-N 1 0 399.539 3.740 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 ZINC000189482051 908330242 /nfs/dbraw/zinc/33/02/42/908330242.db2.gz NEODULRIHXZBAQ-SFHVURJKSA-N 1 0 390.911 3.572 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)c1C#N ZINC001176991998 908353277 /nfs/dbraw/zinc/35/32/77/908353277.db2.gz WGMADYITGPQRHU-NFBKMPQASA-N 1 0 398.551 3.921 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2ccccc2c1O ZINC000190628436 908510664 /nfs/dbraw/zinc/51/06/64/908510664.db2.gz MBQFJCISZOUCKY-OPAMFIHVSA-N 1 0 385.467 3.869 20 30 GHEDRO COc1cc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)ccc1OCc1ccncc1 ZINC000190791306 908528898 /nfs/dbraw/zinc/52/88/98/908528898.db2.gz BDVOHUHKKHIHAW-INIZCTEOSA-N 1 0 376.460 3.730 20 30 GHEDRO COc1cccc(NC(=S)NN=C(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000779760441 908620531 /nfs/dbraw/zinc/62/05/31/908620531.db2.gz XIZJTMFYAHSDEO-GOSISDBHSA-N 1 0 382.533 3.880 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000191793242 908673151 /nfs/dbraw/zinc/67/31/51/908673151.db2.gz XWWGDXVZELPFBC-OAHLLOKOSA-N 1 0 396.292 3.743 20 30 GHEDRO COC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000194168612 908862144 /nfs/dbraw/zinc/86/21/44/908862144.db2.gz ITKQFPOFISKEMW-PMACEKPBSA-N 1 0 383.879 3.684 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)CC1 ZINC000193735534 908892532 /nfs/dbraw/zinc/89/25/32/908892532.db2.gz PGXJFTJDDFXJOX-UHFFFAOYSA-N 1 0 386.540 3.637 20 30 GHEDRO CCCCCCCS(=O)(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000194803903 908929218 /nfs/dbraw/zinc/92/92/18/908929218.db2.gz PEELTHWOLUIRFW-UHFFFAOYSA-N 1 0 381.586 3.929 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cccnc3Br)CC2)C1=O ZINC001276025153 921469960 /nfs/dbraw/zinc/46/99/60/921469960.db2.gz LEUWHRHUSQUTFA-IBGZPJMESA-N 1 0 392.341 3.625 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000266512213 909201923 /nfs/dbraw/zinc/20/19/23/909201923.db2.gz GWKUZUHHINUUNS-JOCHJYFZSA-N 1 0 391.515 3.502 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCCCCCC[NH+]2CCCC2)cc1 ZINC000267364798 909468222 /nfs/dbraw/zinc/46/82/22/909468222.db2.gz LQTUYOBZDLOHDR-UHFFFAOYSA-N 1 0 398.551 3.589 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1OC ZINC000267406202 909485461 /nfs/dbraw/zinc/48/54/61/909485461.db2.gz HEBMYWKZQGIZHX-SIKLNZKXSA-N 1 0 397.519 3.584 20 30 GHEDRO C#CCCOc1ccc(CNc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC001179447708 909526340 /nfs/dbraw/zinc/52/63/40/909526340.db2.gz OXAXNYUIQQEAPZ-QHCPKHFHSA-N 1 0 375.516 3.985 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)cc1Cl ZINC001179520324 909557718 /nfs/dbraw/zinc/55/77/18/909557718.db2.gz LCZGBMPEGHHKKH-OAQYLSRUSA-N 1 0 375.896 3.997 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(N(C)Cc2ccccc2)CCOCC1 ZINC001179531728 909565813 /nfs/dbraw/zinc/56/58/13/909565813.db2.gz OUPUAGKNPYKCTO-UHFFFAOYSA-N 1 0 377.532 3.946 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)C1 ZINC001179580012 909611352 /nfs/dbraw/zinc/61/13/52/909611352.db2.gz ZNJNZZNFAUUYIC-MRXNPFEDSA-N 1 0 377.319 3.675 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000245497880 909676591 /nfs/dbraw/zinc/67/65/91/909676591.db2.gz UXUJEJYOAGKNLJ-FCEUIQTBSA-N 1 0 382.552 3.577 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cc(F)c(C)cc1F)C(=S)NC1CC1 ZINC000267884170 909682650 /nfs/dbraw/zinc/68/26/50/909682650.db2.gz PNJVZPNDZNMPCZ-UHFFFAOYSA-O 1 0 375.464 3.814 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000795329218 909878478 /nfs/dbraw/zinc/87/84/78/909878478.db2.gz LRBUVZUPWYGAJF-ICSRJNTNSA-N 1 0 377.488 3.564 20 30 GHEDRO C[N@H+](CCCOc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000268692032 909976647 /nfs/dbraw/zinc/97/66/47/909976647.db2.gz RVDXTLWJDDYAEG-UHFFFAOYSA-N 1 0 377.488 3.564 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(F)c(C)c1)C(=S)NCCSC ZINC000269697539 910336135 /nfs/dbraw/zinc/33/61/35/910336135.db2.gz LHNIIWGDKQAIDF-UHFFFAOYSA-O 1 0 391.557 3.875 20 30 GHEDRO C[N@H+](CCC(=O)N1CCC(Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC001181138507 910563540 /nfs/dbraw/zinc/56/35/40/910563540.db2.gz SCCFQABYQDYQMT-UHFFFAOYSA-N 1 0 375.516 3.861 20 30 GHEDRO C#CC[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000270451985 910571939 /nfs/dbraw/zinc/57/19/39/910571939.db2.gz SHDWQKQBSYBLDU-AVRDEDQJSA-N 1 0 376.504 3.671 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)Cc1ccc(F)c(C#N)c1 ZINC001181182609 910595341 /nfs/dbraw/zinc/59/53/41/910595341.db2.gz NYNHLEYKEJCTGV-JTSKRJEESA-N 1 0 379.479 3.609 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270687491 910661057 /nfs/dbraw/zinc/66/10/57/910661057.db2.gz VOZIUILUUOOAFM-XLIONFOSSA-N 1 0 385.870 3.968 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1C ZINC000795489830 910678121 /nfs/dbraw/zinc/67/81/21/910678121.db2.gz ZOYRFANCDPCYJV-JTSKRJEESA-N 1 0 397.544 3.904 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000271214827 910821232 /nfs/dbraw/zinc/82/12/32/910821232.db2.gz WYMMLAILXHOGBS-UHFFFAOYSA-N 1 0 382.552 3.697 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3Cn3cnc4ccccc43)o2)cc1 ZINC000271432231 910903599 /nfs/dbraw/zinc/90/35/99/910903599.db2.gz UALDQJYKIOOFEP-GOSISDBHSA-N 1 0 384.443 3.623 20 30 GHEDRO N#Cc1ccccc1CC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001181797520 910991616 /nfs/dbraw/zinc/99/16/16/910991616.db2.gz DZPAYCYAGKHURL-HSZRJFAPSA-N 1 0 377.463 3.507 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC001182062335 911164265 /nfs/dbraw/zinc/16/42/65/911164265.db2.gz MGWVOGQBXUBBOO-JOCHJYFZSA-N 1 0 383.875 3.669 20 30 GHEDRO C=CCCO[C@H](C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366517484 921662225 /nfs/dbraw/zinc/66/22/25/921662225.db2.gz VBXHYEASBGKJCY-QUCCMNQESA-N 1 0 382.508 3.558 20 30 GHEDRO N#Cc1cccc(CCC(=O)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001182337974 911505411 /nfs/dbraw/zinc/50/54/11/911505411.db2.gz AWSIYZJUXDYNTH-DEOSSOPVSA-N 1 0 391.490 3.897 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000774397864 911710520 /nfs/dbraw/zinc/71/05/20/911710520.db2.gz UPUIIKMRKAMTTK-UKRRQHHQSA-N 1 0 378.394 3.508 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000092783964 911805443 /nfs/dbraw/zinc/80/54/43/911805443.db2.gz WZHWKNQFBGMVAR-UYAOXDASSA-N 1 0 377.488 3.619 20 30 GHEDRO C[C@@H](C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC001182798828 912028619 /nfs/dbraw/zinc/02/86/19/912028619.db2.gz KYAKKTHWSIEIFC-BHKIRHMYSA-N 1 0 393.490 3.765 20 30 GHEDRO C=CCSCC(=O)N1CCC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001273477731 912097907 /nfs/dbraw/zinc/09/79/07/912097907.db2.gz GQOOUXNHNFKUJO-QGZVFWFLSA-N 1 0 378.504 3.953 20 30 GHEDRO C=CCN1C(=O)[C@@]2(CC[N@@H+](Cc3ccc(Br)o3)C2)c2ccccc21 ZINC001275571982 914899766 /nfs/dbraw/zinc/89/97/66/914899766.db2.gz QZTUAAXZIOAQMH-LJQANCHMSA-N 1 0 387.277 3.718 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[NH+](C4CCCC4)CC3)c2)cc1 ZINC000303637664 915000675 /nfs/dbraw/zinc/00/06/75/915000675.db2.gz QCWWITOZZYALNF-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000303773192 915120404 /nfs/dbraw/zinc/12/04/04/915120404.db2.gz FFTAUBUKXDEKJA-ACJLOTCBSA-N 1 0 397.445 3.500 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000303878295 915236615 /nfs/dbraw/zinc/23/66/15/915236615.db2.gz FXDJGHIROXLSFH-IAGOWNOFSA-N 1 0 395.551 3.747 20 30 GHEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000303880102 915293008 /nfs/dbraw/zinc/29/30/08/915293008.db2.gz KAZADXBKXXXGPW-HNNXBMFYSA-N 1 0 384.402 3.988 20 30 GHEDRO [NH2+]=C(NCCCOCCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303901528 915303178 /nfs/dbraw/zinc/30/31/78/915303178.db2.gz XLQNLUSOOBBAGP-UHFFFAOYSA-N 1 0 381.398 3.961 20 30 GHEDRO C#Cc1cccc(NC(=O)CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303904023 915304948 /nfs/dbraw/zinc/30/49/48/915304948.db2.gz YOSGQTJJNYYQBX-LBPRGKRZSA-N 1 0 389.286 3.579 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(N)c1C#N ZINC001187488990 915311410 /nfs/dbraw/zinc/31/14/10/915311410.db2.gz QNXABKJMCNSTIJ-KRWDZBQOSA-N 1 0 379.464 3.540 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)o2)N2CCCC2)cc1Cl ZINC000303973402 915344910 /nfs/dbraw/zinc/34/49/10/915344910.db2.gz GTXQQYDVALSHPD-MRXNPFEDSA-N 1 0 376.888 3.814 20 30 GHEDRO [NH2+]=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)CCC2 ZINC000303976224 915345496 /nfs/dbraw/zinc/34/54/96/915345496.db2.gz JYRXYVASDHNOQU-QGZVFWFLSA-N 1 0 379.382 3.534 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000796383713 915349710 /nfs/dbraw/zinc/34/97/10/915349710.db2.gz WLAVOOUSJLFQPJ-QGZVFWFLSA-N 1 0 378.513 3.797 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cccc(Br)c3F)C2)C1=O ZINC001275630686 915440464 /nfs/dbraw/zinc/44/04/64/915440464.db2.gz JMXZORNMYGAQIU-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO [NH2+]=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000304467253 915516857 /nfs/dbraw/zinc/51/68/57/915516857.db2.gz CBVMGUFVKAWYHA-OAHLLOKOSA-N 1 0 378.398 3.842 20 30 GHEDRO Cc1nc(CN2CCC(CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC2)oc1C ZINC000304742218 915669129 /nfs/dbraw/zinc/66/91/29/915669129.db2.gz CNGAMSRYVPNGHX-MRXNPFEDSA-N 1 0 377.577 3.623 20 30 GHEDRO CCOC(=O)c1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)o1 ZINC000304770077 915700680 /nfs/dbraw/zinc/70/06/80/915700680.db2.gz BAUISQFXFXGTJR-JTQLQIEISA-N 1 0 384.263 3.929 20 30 GHEDRO COc1cccc(O[C@H](C)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000304810802 915722743 /nfs/dbraw/zinc/72/27/43/915722743.db2.gz WTGKUWJEAOCCME-GFCCVEGCSA-N 1 0 383.370 3.788 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)CCCNC(=[NH2+])Nc2cccc(C)c2)cc1 ZINC000304933250 915792587 /nfs/dbraw/zinc/79/25/87/915792587.db2.gz FVUZYUWVHLOGGO-QGZVFWFLSA-N 1 0 382.508 3.778 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccccc3I)CC2)C1 ZINC000292799634 915850250 /nfs/dbraw/zinc/85/02/50/915850250.db2.gz MFCTZPDTMHQBGM-KGLIPLIRSA-N 1 0 396.272 3.827 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000292869253 915881482 /nfs/dbraw/zinc/88/14/82/915881482.db2.gz SIBXTWOZGMVKRM-HIFRSBDPSA-N 1 0 376.298 3.792 20 30 GHEDRO CCc1cc(NC(=O)c2ccccc2CN2CC[NH+](C)CC2)cc(CC)c1C#N ZINC001188354995 915926934 /nfs/dbraw/zinc/92/69/34/915926934.db2.gz VIXSAAMDVLQCSN-UHFFFAOYSA-N 1 0 390.531 3.683 20 30 GHEDRO C[C@H](NC(=[NH2+])NC[C@]1(O)CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000305207550 916007536 /nfs/dbraw/zinc/00/75/36/916007536.db2.gz NKZWDSFCLIIVIQ-HXPMCKFVSA-N 1 0 378.303 3.793 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3ccc(Cl)s3)C2)C1=O ZINC001275691699 916030629 /nfs/dbraw/zinc/03/06/29/916030629.db2.gz VGEYLQKFNCJZIX-WIYYLYMNSA-N 1 0 384.932 3.853 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001188644144 916072447 /nfs/dbraw/zinc/07/24/47/916072447.db2.gz CMGLHHWXAGGQML-DENIHFKCSA-N 1 0 398.572 3.994 20 30 GHEDRO Cn1nc(C(C)(C)C)cc1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001189043661 916364778 /nfs/dbraw/zinc/36/47/78/916364778.db2.gz AJQNLNBATIWYRI-WGSAOQKQSA-N 1 0 393.535 3.502 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000305767653 916367640 /nfs/dbraw/zinc/36/76/40/916367640.db2.gz IDWSAWAVSBRFEH-GOSISDBHSA-N 1 0 381.476 3.570 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(Br)cc3F)CC2)C1=O ZINC001275724142 916405644 /nfs/dbraw/zinc/40/56/44/916405644.db2.gz NDIJDBBIBHQZKY-UHFFFAOYSA-N 1 0 381.289 3.589 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccc(OCC#N)cc1 ZINC000775336519 917006879 /nfs/dbraw/zinc/00/68/79/917006879.db2.gz KSLKSTOTBOXIBE-ACJLOTCBSA-N 1 0 375.266 3.736 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)ccc1OC ZINC000775408394 917544825 /nfs/dbraw/zinc/54/48/25/917544825.db2.gz JWQHYKMKUDAFJX-LTDCPUDJSA-N 1 0 378.563 3.845 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000362963662 917563978 /nfs/dbraw/zinc/56/39/78/917563978.db2.gz CCKOUBKLRJABHF-LKUPVBHCSA-N 1 0 398.547 3.669 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC000295987736 917707689 /nfs/dbraw/zinc/70/76/89/917707689.db2.gz PGNUKRYBXFRIFG-AEFFLSMTSA-N 1 0 387.553 3.650 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)c1 ZINC000775432056 917738921 /nfs/dbraw/zinc/73/89/21/917738921.db2.gz XPPWRYGGWDPQAH-INIZCTEOSA-N 1 0 377.271 3.884 20 30 GHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CC#CCN1C(=O)c2ccccc2C1=O ZINC001191193482 917813287 /nfs/dbraw/zinc/81/32/87/917813287.db2.gz MAASSKLNDFXWSJ-NRFANRHFSA-N 1 0 388.511 3.938 20 30 GHEDRO COC(=O)N1CCC(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000796512364 917943021 /nfs/dbraw/zinc/94/30/21/917943021.db2.gz YAFSYGHCULIVHW-UHFFFAOYSA-N 1 0 393.487 3.705 20 30 GHEDRO C[C@@H]1CN(CC[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@@H](C)O1 ZINC001191637110 918086522 /nfs/dbraw/zinc/08/65/22/918086522.db2.gz ZYWWFSVSQFTWEJ-RTBURBONSA-N 1 0 381.495 3.809 20 30 GHEDRO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]3CCCC[C@H]32)nn1 ZINC000653577648 918325981 /nfs/dbraw/zinc/32/59/81/918325981.db2.gz XIWRCVVVRGTUHB-YCXYWVQESA-N 1 0 387.572 3.538 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)c(C(F)(F)F)c1 ZINC001192092031 918387858 /nfs/dbraw/zinc/38/78/58/918387858.db2.gz UENYATYBUHYQSK-UHFFFAOYSA-N 1 0 385.389 3.859 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000796601174 918790036 /nfs/dbraw/zinc/79/00/36/918790036.db2.gz HZIMOZHZZIZMRP-QHCPKHFHSA-N 1 0 375.516 3.585 20 30 GHEDRO CCN(C(=O)COc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000115990242 919488088 /nfs/dbraw/zinc/48/80/88/919488088.db2.gz KJASLRNYGJXGSX-GHTZIAJQSA-N 1 0 377.488 3.621 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000800288982 919845623 /nfs/dbraw/zinc/84/56/23/919845623.db2.gz FFPXZQRZMWGADB-UGSOOPFHSA-N 1 0 375.266 3.563 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297925163 919966203 /nfs/dbraw/zinc/96/62/03/919966203.db2.gz YCYXCPHWGXGTAU-QFIPXVFZSA-N 1 0 399.579 3.562 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)NC2CCCCC2)c1 ZINC000298198470 920298617 /nfs/dbraw/zinc/29/86/17/920298617.db2.gz CKFHARPKQANLTP-UHFFFAOYSA-O 1 0 397.520 3.872 20 30 GHEDRO CCOC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000298238766 920334820 /nfs/dbraw/zinc/33/48/20/920334820.db2.gz IPRBSIDZKSEOBJ-UHFFFAOYSA-N 1 0 375.538 3.718 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C)c(Br)c3)CC2)C1=O ZINC001275964807 920351102 /nfs/dbraw/zinc/35/11/02/920351102.db2.gz SXHGMGQFJMBQID-HXUWFJFHSA-N 1 0 389.337 3.595 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000800790646 920464600 /nfs/dbraw/zinc/46/46/00/920464600.db2.gz PTDVBFNOUFEONT-YZYPULCFSA-N 1 0 393.531 3.891 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccccc1CC#N ZINC000801044600 920728872 /nfs/dbraw/zinc/72/88/72/920728872.db2.gz ZXBBCJYHOVDNDU-QFIPXVFZSA-N 1 0 375.516 3.712 20 30 GHEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000367607949 922226997 /nfs/dbraw/zinc/22/69/97/922226997.db2.gz PNDRZRHOKBLXQJ-QGZVFWFLSA-N 1 0 397.544 3.671 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1OC ZINC000802655001 922312981 /nfs/dbraw/zinc/31/29/81/922312981.db2.gz PBHALDLXIAEPEA-QFIPXVFZSA-N 1 0 390.524 3.997 20 30 GHEDRO C[C@H](Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1ccc(OCC#N)cc1 ZINC000368223590 922540184 /nfs/dbraw/zinc/54/01/84/922540184.db2.gz QKDDVCQEXCOMQD-KRWDZBQOSA-N 1 0 379.504 3.891 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cc(C#N)ccn1 ZINC000903010603 922707274 /nfs/dbraw/zinc/70/72/74/922707274.db2.gz NZOJCVTYRWFXJZ-BBRMVZONSA-N 1 0 379.414 3.761 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000369084863 923098698 /nfs/dbraw/zinc/09/86/98/923098698.db2.gz OQTISCRVMZFLGP-SBHAEUEKSA-N 1 0 392.528 3.501 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000803856766 923318473 /nfs/dbraw/zinc/31/84/73/923318473.db2.gz AGZYRPJCWBMVJH-KRWDZBQOSA-N 1 0 381.476 3.545 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cnc5ccccc5c4)C3)CC2=O)c1 ZINC001137280695 924210279 /nfs/dbraw/zinc/21/02/79/924210279.db2.gz HFEKHTNRVWJTTL-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cn3c(cccc3C)n1)CC2 ZINC001137295235 924346680 /nfs/dbraw/zinc/34/66/80/924346680.db2.gz FILHWHLGUPFTIN-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#CCC1CC[NH+](CC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000543807030 924378026 /nfs/dbraw/zinc/37/80/26/924378026.db2.gz KCQWJZHMKKQPNI-UHFFFAOYSA-N 1 0 375.516 3.950 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)ccc1OC ZINC000371360407 924543394 /nfs/dbraw/zinc/54/33/94/924543394.db2.gz GCBSBZIMABCRAX-UHFFFAOYSA-N 1 0 382.508 3.567 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000371421557 924573492 /nfs/dbraw/zinc/57/34/92/924573492.db2.gz VSIGYYRYGPMCOM-MRXNPFEDSA-N 1 0 381.451 3.967 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cccc(Br)c34)C2)C1=O ZINC001276038562 924642600 /nfs/dbraw/zinc/64/26/00/924642600.db2.gz XAALEOMXFMHFAZ-LJQANCHMSA-N 1 0 388.309 3.541 20 30 GHEDRO N#CC1(NC(=O)c2cnc(Cl)c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000371545020 924652636 /nfs/dbraw/zinc/65/26/36/924652636.db2.gz SYBVZPMSXLHPLV-UHFFFAOYSA-N 1 0 389.286 3.677 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4c[nH]c5ccc(F)cc45)C3)CC2=O)c1 ZINC001137338744 924805396 /nfs/dbraw/zinc/80/53/96/924805396.db2.gz VBOWEDJHABQHJT-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO Cn1cc([C@@H]2C[N@H+](CCCC(C)(C)C#N)CCN2CCCC(C)(C)C#N)cn1 ZINC000372345394 925351255 /nfs/dbraw/zinc/35/12/55/925351255.db2.gz GGANSVLJSQCARL-FQEVSTJZSA-N 1 0 384.572 3.739 20 30 GHEDRO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1N1CCCCC1 ZINC000827411275 925454436 /nfs/dbraw/zinc/45/44/36/925454436.db2.gz PDFUXTIHRBFFRQ-UHFFFAOYSA-N 1 0 375.520 3.574 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000372675901 925625492 /nfs/dbraw/zinc/62/54/92/925625492.db2.gz RPFDVNQNYQKURI-UHFFFAOYSA-N 1 0 379.504 3.830 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1)C1CCOCC1 ZINC000827569673 925823273 /nfs/dbraw/zinc/82/32/73/925823273.db2.gz CIYRPCRPQDVRDM-QHCPKHFHSA-N 1 0 389.499 3.740 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000411140120 926117777 /nfs/dbraw/zinc/11/77/77/926117777.db2.gz ZMAMZKGSYZTKOO-ZRBLBEILSA-N 1 0 389.499 3.624 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373482382 926178210 /nfs/dbraw/zinc/17/82/10/926178210.db2.gz GYOICZJPPOIBFJ-RWBZWWBESA-N 1 0 381.442 3.872 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373497962 926196303 /nfs/dbraw/zinc/19/63/03/926196303.db2.gz WPZGQQNHCSFQJA-UHFFFAOYSA-N 1 0 394.485 3.931 20 30 GHEDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000411205172 926199013 /nfs/dbraw/zinc/19/90/13/926199013.db2.gz ZYMPUQGLMAPGBL-UHFFFAOYSA-N 1 0 396.447 3.714 20 30 GHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411403950 926361808 /nfs/dbraw/zinc/36/18/08/926361808.db2.gz XPVOWBPCDBQUOK-FQEVSTJZSA-N 1 0 386.883 3.773 20 30 GHEDRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)s1 ZINC000827943302 926370272 /nfs/dbraw/zinc/37/02/72/926370272.db2.gz VJZXSKNQIRFYGM-ZBFHGGJFSA-N 1 0 385.489 3.600 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)cc(O)cc3Cl)CC2)C1=O ZINC001276164840 926398657 /nfs/dbraw/zinc/39/86/57/926398657.db2.gz IGDBFKYQSZYELP-LJQANCHMSA-N 1 0 381.303 3.537 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000411451841 926412555 /nfs/dbraw/zinc/41/25/55/926412555.db2.gz AIGYYMHHSLIJGU-DYESRHJHSA-N 1 0 383.879 3.908 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccco1 ZINC000411511815 926470221 /nfs/dbraw/zinc/47/02/21/926470221.db2.gz KADKNGCMJVXHSN-XJKSGUPXSA-N 1 0 387.505 3.643 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C12CCCC2 ZINC000411721899 926694901 /nfs/dbraw/zinc/69/49/01/926694901.db2.gz PQLMBEZZGNVASJ-MSOLQXFVSA-N 1 0 387.549 3.764 20 30 GHEDRO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)C1=O ZINC000726589430 926745673 /nfs/dbraw/zinc/74/56/73/926745673.db2.gz MJCBREYIFTVJAX-OAQYLSRUSA-N 1 0 394.519 3.715 20 30 GHEDRO C=CC[C@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000749202439 927000067 /nfs/dbraw/zinc/00/00/67/927000067.db2.gz OQPVMCNRPVKTPM-UTKZUKDTSA-N 1 0 379.508 3.619 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)CCCCC1 ZINC000412014961 927003143 /nfs/dbraw/zinc/00/31/43/927003143.db2.gz RKOLVFMYFPKSEJ-OAQYLSRUSA-N 1 0 383.536 3.603 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2Cl)CC1 ZINC000749795668 927274987 /nfs/dbraw/zinc/27/49/87/927274987.db2.gz QUEBJKIDBAFSEX-UHFFFAOYSA-N 1 0 396.922 3.925 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[N@H+](CC4CCC4)CC3)cc2)nc1 ZINC000412306972 927318074 /nfs/dbraw/zinc/31/80/74/927318074.db2.gz GJFGMJFCSMABAY-UHFFFAOYSA-N 1 0 390.487 3.694 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN(Cc3ncc(Br)s3)CC2)C1=O ZINC001276204940 927357592 /nfs/dbraw/zinc/35/75/92/927357592.db2.gz QDJUOYJOHZELCG-KRWDZBQOSA-N 1 0 398.370 3.686 20 30 GHEDRO COc1ccccc1[C@H](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896177 927666868 /nfs/dbraw/zinc/66/68/68/927666868.db2.gz PXMYGYLPANPGMM-LJQANCHMSA-N 1 0 391.515 3.863 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000750598088 927741416 /nfs/dbraw/zinc/74/14/16/927741416.db2.gz ZYXLZDDVMOYPRQ-AVRDEDQJSA-N 1 0 377.488 3.731 20 30 GHEDRO N#CCSCCC[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000374996253 927794185 /nfs/dbraw/zinc/79/41/85/927794185.db2.gz GLGVUQQXXLYNAZ-MRXNPFEDSA-N 1 0 385.455 3.605 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751113050 928036048 /nfs/dbraw/zinc/03/60/48/928036048.db2.gz RDFYOKDZRBCFDI-UHFFFAOYSA-N 1 0 398.551 3.513 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000467088346 928683878 /nfs/dbraw/zinc/68/38/78/928683878.db2.gz BMHQKTSSPZMVAU-PKTZIBPZSA-N 1 0 390.531 3.772 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000544142463 928860174 /nfs/dbraw/zinc/86/01/74/928860174.db2.gz SGFUSTZKQSBBAX-SFHVURJKSA-N 1 0 381.442 3.766 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000467318066 928953135 /nfs/dbraw/zinc/95/31/35/928953135.db2.gz LMHAOMNZQNLEHH-KRWDZBQOSA-N 1 0 377.916 3.644 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1cccc(C#N)c1 ZINC000467448869 929082598 /nfs/dbraw/zinc/08/25/98/929082598.db2.gz ZBBPYJBRUCFMKZ-KRWDZBQOSA-N 1 0 375.472 3.545 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000544435084 929177309 /nfs/dbraw/zinc/17/73/09/929177309.db2.gz KGIWCVJIFUYHNU-WMZOPIPTSA-N 1 0 396.535 3.733 20 30 GHEDRO C=C(C)CN1C[C@]2(CC[N@H+](CCCc3ccc(Cl)c(Cl)c3)C2)OCC1=O ZINC001276277293 929183354 /nfs/dbraw/zinc/18/33/54/929183354.db2.gz XGDWHAOIUMTAKV-HXUWFJFHSA-N 1 0 397.346 3.805 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000467759004 929379457 /nfs/dbraw/zinc/37/94/57/929379457.db2.gz LFYAGBGHFYNULS-FPOVZHCZSA-N 1 0 386.584 3.895 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000544684961 929442994 /nfs/dbraw/zinc/44/29/94/929442994.db2.gz QZWQDRIUUJTLTF-YADHBBJMSA-N 1 0 391.540 3.877 20 30 GHEDRO Brc1ccc2c(c1)C(=NNC1=[NH+][C@H]3CCCC[C@@H]3N1)CCS2 ZINC000753937243 929600531 /nfs/dbraw/zinc/60/05/31/929600531.db2.gz ZFSFZBDGMRORBV-KBPBESRZSA-N 1 0 379.327 3.509 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757105527 929643042 /nfs/dbraw/zinc/64/30/42/929643042.db2.gz YCUFAOWJVDLJLH-LPHOPBHVSA-N 1 0 382.508 3.936 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757105526 929643704 /nfs/dbraw/zinc/64/37/04/929643704.db2.gz YCUFAOWJVDLJLH-APWZRJJASA-N 1 0 382.508 3.936 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000757608517 929743306 /nfs/dbraw/zinc/74/33/06/929743306.db2.gz ZXCAIUFFXNIUAA-XZOQPEGZSA-N 1 0 391.515 3.896 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000757638543 929754310 /nfs/dbraw/zinc/75/43/10/929754310.db2.gz LZGMTXYEZMJKQJ-OPAMFIHVSA-N 1 0 389.499 3.989 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000546002539 929763517 /nfs/dbraw/zinc/76/35/17/929763517.db2.gz JZABKZJLTMMYFO-UHFFFAOYSA-N 1 0 378.476 3.525 20 30 GHEDRO N#CC1(NC(=O)C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)CCCCC1 ZINC000469450684 929903061 /nfs/dbraw/zinc/90/30/61/929903061.db2.gz SHBGPUMRNXZTAJ-UHFFFAOYSA-N 1 0 375.463 3.562 20 30 GHEDRO FC(F)(F)c1cc(Br)cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000758120429 929930751 /nfs/dbraw/zinc/93/07/51/929930751.db2.gz QYQBYQXBSXVXBX-STQMWFEESA-N 1 0 389.219 3.662 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000758191752 929967481 /nfs/dbraw/zinc/96/74/81/929967481.db2.gz MVJWTIMMRPTQSA-UTKZUKDTSA-N 1 0 394.515 3.825 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000758800023 930171177 /nfs/dbraw/zinc/17/11/77/930171177.db2.gz SGGZQEWIHBEIIS-HJNYFJLDSA-N 1 0 392.503 3.612 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000758803347 930172217 /nfs/dbraw/zinc/17/22/17/930172217.db2.gz SLQQWCZQMLPFOW-SFHVURJKSA-N 1 0 382.533 3.960 20 30 GHEDRO C=C[C@H](CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccccc1 ZINC000759015536 930245458 /nfs/dbraw/zinc/24/54/58/930245458.db2.gz XDUQAPZCTOQNRS-HXUWFJFHSA-N 1 0 395.522 3.944 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000759054155 930258817 /nfs/dbraw/zinc/25/88/17/930258817.db2.gz JTQNVXVAHMYPMM-UHFFFAOYSA-O 1 0 387.475 3.984 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c(OC)c1 ZINC000469992238 930300145 /nfs/dbraw/zinc/30/01/45/930300145.db2.gz LSFIUBVRBGHFSP-MAUKXSAKSA-N 1 0 387.442 3.826 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC(C[NH2+]C)CC2)cc1OCC ZINC000470019869 930321149 /nfs/dbraw/zinc/32/11/49/930321149.db2.gz VBJYKDAQQFQIEL-UHFFFAOYSA-N 1 0 397.357 3.844 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000546708272 930372511 /nfs/dbraw/zinc/37/25/11/930372511.db2.gz ZSPWYLMLGMMUAI-UHFFFAOYSA-N 1 0 378.476 3.874 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000546709608 930372845 /nfs/dbraw/zinc/37/28/45/930372845.db2.gz UXMLQLAQUYWAHV-UHFFFAOYSA-N 1 0 384.505 3.662 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000470211776 930456346 /nfs/dbraw/zinc/45/63/46/930456346.db2.gz LXQOGELFIGAJBL-IBGZPJMESA-N 1 0 393.487 3.534 20 30 GHEDRO CN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470657463 930793764 /nfs/dbraw/zinc/79/37/64/930793764.db2.gz NNHFGJWFHGMAMS-QFIPXVFZSA-N 1 0 393.556 3.914 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)sc2C1 ZINC000470921490 931035663 /nfs/dbraw/zinc/03/56/63/931035663.db2.gz ZMLVYJYONXSNEE-GLJUWKHASA-N 1 0 387.549 3.572 20 30 GHEDRO Cc1csc(CC[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000924645475 931460640 /nfs/dbraw/zinc/46/06/40/931460640.db2.gz YRGSPYMFGDKPJS-OAHLLOKOSA-N 1 0 392.569 3.903 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F ZINC000557545292 931532291 /nfs/dbraw/zinc/53/22/91/931532291.db2.gz APQSIXYXUDQDNA-GOEBONIOSA-N 1 0 378.394 3.862 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000783503794 931565338 /nfs/dbraw/zinc/56/53/38/931565338.db2.gz SMXWNRZOPJUTQG-ZDUSSCGKSA-N 1 0 399.516 3.920 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000783532894 931573912 /nfs/dbraw/zinc/57/39/12/931573912.db2.gz UXBGDWGYLWIOBU-SNVBAGLBSA-N 1 0 389.361 3.976 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000557795717 931692956 /nfs/dbraw/zinc/69/29/56/931692956.db2.gz AIPMFNIOIDPLMZ-LJQANCHMSA-N 1 0 385.552 3.533 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCC[C@@](C)(C#N)C2)c1=S ZINC000784011302 931755341 /nfs/dbraw/zinc/75/53/41/931755341.db2.gz DDBZBTNZLWQJPD-LPHOPBHVSA-N 1 0 378.590 3.810 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000557930779 931759465 /nfs/dbraw/zinc/75/94/65/931759465.db2.gz KHMNHLPILKVRHI-UZLBHIALSA-N 1 0 386.455 3.606 20 30 GHEDRO Cc1cc(Br)cn2c(C[NH2+]Cc3ccc(OCC#N)cc3)cnc12 ZINC000784534947 931928601 /nfs/dbraw/zinc/92/86/01/931928601.db2.gz YJDVWPPDVYFGFO-UHFFFAOYSA-N 1 0 385.265 3.597 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](O)c1c(F)cccc1F ZINC000796816715 932078164 /nfs/dbraw/zinc/07/81/64/932078164.db2.gz CRWRXIXSRXRFOY-IRLDBZIGSA-N 1 0 385.458 3.907 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000797007902 932142888 /nfs/dbraw/zinc/14/28/88/932142888.db2.gz QYQPLYDBNLDMOS-HKUYNNGSSA-N 1 0 390.524 3.756 20 30 GHEDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000926604159 932243899 /nfs/dbraw/zinc/24/38/99/932243899.db2.gz LVLPAEFCAPMRSS-RCCFBDPRSA-N 1 0 379.545 3.853 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926916590 932347520 /nfs/dbraw/zinc/34/75/20/932347520.db2.gz RIOZAVQIOQNDNN-NJNPRVFISA-N 1 0 391.556 3.855 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N ZINC000926963286 932365264 /nfs/dbraw/zinc/36/52/64/932365264.db2.gz CMRDCEHBOGERGD-PWRODBHTSA-N 1 0 399.535 3.761 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)C1CC1 ZINC000927007234 932379487 /nfs/dbraw/zinc/37/94/87/932379487.db2.gz AVUUHSFJQYHDBC-QZTJIDSGSA-N 1 0 392.540 3.654 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)C1CC1 ZINC000927007233 932379496 /nfs/dbraw/zinc/37/94/96/932379496.db2.gz AVUUHSFJQYHDBC-MSOLQXFVSA-N 1 0 392.540 3.654 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000559078057 932416932 /nfs/dbraw/zinc/41/69/32/932416932.db2.gz NZUSXJCHQNPCDX-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1cccc(Cl)c1 ZINC000559606010 932751420 /nfs/dbraw/zinc/75/14/20/932751420.db2.gz RZCYDXZOSWQVGC-UHFFFAOYSA-N 1 0 398.938 3.918 20 30 GHEDRO COc1cc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)ccc1C#N ZINC000799734410 933103005 /nfs/dbraw/zinc/10/30/05/933103005.db2.gz DTCHVUXYIMRPAE-GOSISDBHSA-N 1 0 389.293 3.931 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116350131 933501336 /nfs/dbraw/zinc/50/13/36/933501336.db2.gz TZQKPQHPOUDZJF-HNNXBMFYSA-N 1 0 379.489 3.704 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000929699599 933581259 /nfs/dbraw/zinc/58/12/59/933581259.db2.gz BOXAZRZTVBGOLE-GOSISDBHSA-N 1 0 393.491 3.941 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000929699600 933581932 /nfs/dbraw/zinc/58/19/32/933581932.db2.gz BOXAZRZTVBGOLE-SFHVURJKSA-N 1 0 393.491 3.941 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001116541654 933622164 /nfs/dbraw/zinc/62/21/64/933622164.db2.gz LMCIINQNLGWQCS-MAUKXSAKSA-N 1 0 383.319 3.934 20 30 GHEDRO N#Cc1ccccc1COc1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001116612251 933664952 /nfs/dbraw/zinc/66/49/52/933664952.db2.gz IVEIPFPOBKNOBW-NRFANRHFSA-N 1 0 386.455 3.996 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(OCC#N)cc1 ZINC001116617749 933667601 /nfs/dbraw/zinc/66/76/01/933667601.db2.gz VPJZPMZMOFLMKM-OAQYLSRUSA-N 1 0 380.492 3.867 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]CC3CCC(C#N)CC3)CCCC2)cc1OC ZINC000930022581 933780434 /nfs/dbraw/zinc/78/04/34/933780434.db2.gz BKYAQAXBCQIURB-UHFFFAOYSA-N 1 0 385.508 3.875 20 30 GHEDRO Cc1ccc(F)cc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000777879170 933907533 /nfs/dbraw/zinc/90/75/33/933907533.db2.gz QNBLXXRCFASBIN-UHFFFAOYSA-N 1 0 384.524 3.597 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000561229233 933977014 /nfs/dbraw/zinc/97/70/14/933977014.db2.gz KHTUVZNWIXUHDM-GOSISDBHSA-N 1 0 380.467 3.532 20 30 GHEDRO N#CC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001118298683 934130714 /nfs/dbraw/zinc/13/07/14/934130714.db2.gz LZUZEEHEDUZDDH-SEJPIABJSA-N 1 0 380.536 3.955 20 30 GHEDRO N#CC1CCC(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CC1 ZINC000931025233 934341355 /nfs/dbraw/zinc/34/13/55/934341355.db2.gz SMHMVBRXMJGWQY-HTWSVDAQSA-N 1 0 385.474 3.829 20 30 GHEDRO Cc1c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cnn1CCC#N ZINC001119516830 934363456 /nfs/dbraw/zinc/36/34/56/934363456.db2.gz IQZYVPHMJAQXJG-QZTJIDSGSA-N 1 0 393.535 3.513 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC001120512146 934469098 /nfs/dbraw/zinc/46/90/98/934469098.db2.gz ZQYYTPZNABBRIJ-QUCCMNQESA-N 1 0 384.524 3.561 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001120562300 934474404 /nfs/dbraw/zinc/47/44/04/934474404.db2.gz YIRGGSSLVNBTQP-APWZRJJASA-N 1 0 379.495 3.771 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000931378479 934530651 /nfs/dbraw/zinc/53/06/51/934530651.db2.gz ABVXHPMTBNHZPC-ZDUSSCGKSA-N 1 0 379.302 3.516 20 30 GHEDRO CCOC(=O)c1csc(CC2CC[NH+](CC3CCC(C#N)CC3)CC2)n1 ZINC000931684845 934673080 /nfs/dbraw/zinc/67/30/80/934673080.db2.gz WDFKDPMDRYSJRZ-UHFFFAOYSA-N 1 0 375.538 3.904 20 30 GHEDRO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001121582951 934705808 /nfs/dbraw/zinc/70/58/08/934705808.db2.gz YWOISIYFBARPJH-IAGOWNOFSA-N 1 0 375.561 3.651 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917414 934764394 /nfs/dbraw/zinc/76/43/94/934764394.db2.gz YTAHKRZGYDTPFR-AWEZNQCLSA-N 1 0 375.753 3.517 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000562317066 934818866 /nfs/dbraw/zinc/81/88/66/934818866.db2.gz IWIBQXWPMNAWBP-QHCPKHFHSA-N 1 0 399.498 3.659 20 30 GHEDRO N#CCc1ccnc(NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000932163582 934837695 /nfs/dbraw/zinc/83/76/95/934837695.db2.gz OFCNIIXJMGIUJZ-HKBOAZHASA-N 1 0 389.503 3.570 20 30 GHEDRO C#CC[C@H](CC)c1nnc(Nc2cnn(C3CC[NH+](C)CC3)c2)n1CC(=C)C ZINC001122388653 934860234 /nfs/dbraw/zinc/86/02/34/934860234.db2.gz HSQKALJXUBODJK-KRWDZBQOSA-N 1 0 381.528 3.578 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001122530436 934891252 /nfs/dbraw/zinc/89/12/52/934891252.db2.gz GXUBHCQPWPEFRO-LJQANCHMSA-N 1 0 378.524 3.584 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1[C@]1(C)CCC=CO1 ZINC001122539906 934893962 /nfs/dbraw/zinc/89/39/62/934893962.db2.gz OPJDSSKLFOFHBL-QFIPXVFZSA-N 1 0 385.556 3.848 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001122609076 934918555 /nfs/dbraw/zinc/91/85/55/934918555.db2.gz GXYIQTAVISERSQ-HMXCVIKNSA-N 1 0 396.583 3.962 20 30 GHEDRO CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001122684890 934948419 /nfs/dbraw/zinc/94/84/19/934948419.db2.gz HQZLSJUUZXTSGM-GGPKGHCWSA-N 1 0 384.572 3.794 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(CC#N)c3)n2CC2CC2)C1 ZINC001123628997 935241181 /nfs/dbraw/zinc/24/11/81/935241181.db2.gz KVBAKNBUQXRULZ-FQEVSTJZSA-N 1 0 392.551 3.589 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)cc1 ZINC000828048782 935569782 /nfs/dbraw/zinc/56/97/82/935569782.db2.gz SXKHJCGKDVTTQE-UHFFFAOYSA-N 1 0 377.419 3.661 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)c(C#N)c1 ZINC001137702743 935733238 /nfs/dbraw/zinc/73/32/38/935733238.db2.gz XTOOUKUNSAJWPU-XMMPIXPASA-N 1 0 389.499 3.713 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001137902924 935856766 /nfs/dbraw/zinc/85/67/66/935856766.db2.gz XUIXDSLJEBLZSU-DEOSSOPVSA-N 1 0 390.531 3.623 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CC12CC2 ZINC001137904235 935857937 /nfs/dbraw/zinc/85/79/37/935857937.db2.gz TXCSJDLSVJOFQD-NRFANRHFSA-N 1 0 375.472 3.711 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CC12CC2 ZINC001137904236 935858006 /nfs/dbraw/zinc/85/80/06/935858006.db2.gz TXCSJDLSVJOFQD-OAQYLSRUSA-N 1 0 375.472 3.711 20 30 GHEDRO C=CCOc1ccc(C[N@H+](Cc2cncc(-c3nn[nH]n3)c2)C(C)(C)C)cc1 ZINC001573348748 947587527 /nfs/dbraw/zinc/58/75/27/947587527.db2.gz URKXPGINRFAQIX-UHFFFAOYSA-N 1 0 378.480 3.627 20 30 GHEDRO COc1cccc([C@@H](NC(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)c2ccccc2)c1 ZINC001220697541 1032068695 /nfs/dbraw/zinc/06/86/95/1032068695.db2.gz QQNKZGGGHZFIJZ-DHLKQENFSA-N 1 0 399.494 3.733 20 30 GHEDRO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544849156 1015098908 /nfs/dbraw/zinc/09/89/08/1015098908.db2.gz NODCXDCZHYOHBL-QFIPXVFZSA-N 1 0 393.556 3.914 20 30 GHEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1C1CC1 ZINC000468857015 1016119194 /nfs/dbraw/zinc/11/91/94/1016119194.db2.gz HJHXYAXKNVXLEQ-UHFFFAOYSA-N 1 0 377.488 3.648 20 30 GHEDRO Cc1cc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)cc(C)c1OCC(F)(F)F ZINC000468945399 1016257325 /nfs/dbraw/zinc/25/73/25/1016257325.db2.gz MMUFZGMHFYYXBP-OAHLLOKOSA-N 1 0 397.441 3.627 20 30 GHEDRO Cc1ccc(CNC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1C#N ZINC001226879554 1032172527 /nfs/dbraw/zinc/17/25/27/1032172527.db2.gz SNOVHCCKHMISJI-JOCHJYFZSA-N 1 0 376.504 3.577 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N[C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CC1 ZINC001221035270 1032246294 /nfs/dbraw/zinc/24/62/94/1032246294.db2.gz YOQUFMVXRGRVNC-NRFANRHFSA-N 1 0 377.463 3.586 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)nc3OC)CC2)C1=O ZINC001277199122 1032374177 /nfs/dbraw/zinc/37/41/77/1032374177.db2.gz MHRFSPOEOPBRFR-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@H](c1ccc(C)cc1)N1CCC[NH2+]CC1)c1ccccc1 ZINC001221360879 1032386207 /nfs/dbraw/zinc/38/62/07/1032386207.db2.gz OQXJAHUHAOCJQU-PKTZIBPZSA-N 1 0 377.532 3.765 20 30 GHEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc3cc(C#N)c(=O)oc3c2)C1 ZINC001227383897 1032397908 /nfs/dbraw/zinc/39/79/08/1032397908.db2.gz UIUVBWBCGMJAFX-KXBFYZLASA-N 1 0 375.428 3.664 20 30 GHEDRO C#CC[C@]1(C(=O)NC[C@H](OCCC(C)C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001221407597 1032402178 /nfs/dbraw/zinc/40/21/78/1032402178.db2.gz DDPYRXFOJRBYAQ-PZJWPPBQSA-N 1 0 376.928 3.706 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1 ZINC001221675614 1032504928 /nfs/dbraw/zinc/50/49/28/1032504928.db2.gz DIMVZAIHCCUCKC-ZWKOTPCHSA-N 1 0 388.531 3.636 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155377245 1032525824 /nfs/dbraw/zinc/52/58/24/1032525824.db2.gz BQFGZDDZWKKHLP-IBGZPJMESA-N 1 0 380.467 3.720 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001155462857 1032552275 /nfs/dbraw/zinc/55/22/75/1032552275.db2.gz RBXGQTDXUGSUHZ-CYBMUJFWSA-N 1 0 383.858 3.922 20 30 GHEDRO CSc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001204141590 1032598809 /nfs/dbraw/zinc/59/88/09/1032598809.db2.gz UCNQNJLGBYABOP-JOCHJYFZSA-N 1 0 377.513 3.909 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CCN(Cc1cc(Cl)ncc1C(F)(F)F)CC2 ZINC001277240646 1032604428 /nfs/dbraw/zinc/60/44/28/1032604428.db2.gz YOAAEIKJNCDBJF-CYBMUJFWSA-N 1 0 387.833 3.658 20 30 GHEDRO N#Cc1ccc2ncnc(N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c2c1 ZINC001155628581 1032607960 /nfs/dbraw/zinc/60/79/60/1032607960.db2.gz AMAWPDJBUWSDLQ-TWRVUUBYSA-N 1 0 385.515 3.901 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C ZINC001227839281 1032640331 /nfs/dbraw/zinc/64/03/31/1032640331.db2.gz YJDROEVZJHUMMA-DLBZAZTESA-N 1 0 381.442 3.627 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC001227842472 1032642532 /nfs/dbraw/zinc/64/25/32/1032642532.db2.gz XMXSDARYDWHABQ-PNCHPQGNSA-N 1 0 388.515 3.850 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)NC(C)(C)COCc1ccccc1)c1ccc(C#N)cc1 ZINC000558736124 1017275934 /nfs/dbraw/zinc/27/59/34/1017275934.db2.gz PUNBNSPOJOZOQL-SFHVURJKSA-N 1 0 394.519 3.503 20 30 GHEDRO COc1ccc2c(c1)nc(Cl)nc2O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001227928230 1032700088 /nfs/dbraw/zinc/70/00/88/1032700088.db2.gz BMZLOXRGVATCHK-QGZVFWFLSA-N 1 0 394.862 3.817 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(C)c1OC)[C@@H]2CC ZINC001204260559 1032704599 /nfs/dbraw/zinc/70/45/99/1032704599.db2.gz UUVKIJIPIKUUOM-OFNKIYASSA-N 1 0 386.536 3.934 20 30 GHEDRO N#CC1CCC(C[NH+]2CCN(CCCc3nc(-c4cccs4)no3)CC2)CC1 ZINC000929101127 1017613657 /nfs/dbraw/zinc/61/36/57/1017613657.db2.gz ZYOGVZYLCOIAQV-UHFFFAOYSA-N 1 0 399.564 3.678 20 30 GHEDRO C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000931225485 1017944818 /nfs/dbraw/zinc/94/48/18/1017944818.db2.gz ULOVMPKXZHRCSE-ZRZAMGCNSA-N 1 0 381.564 3.931 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cc3c(s2)CCOC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001155835386 1032735353 /nfs/dbraw/zinc/73/53/53/1032735353.db2.gz ZOOPBCBKGNPNEC-WGSAOQKQSA-N 1 0 395.528 3.605 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3C)CC2)cc1 ZINC001204300625 1032740277 /nfs/dbraw/zinc/74/02/77/1032740277.db2.gz QCZQLLLDFHNCTF-JOCHJYFZSA-N 1 0 391.515 3.627 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)cc1 ZINC001204300514 1032740309 /nfs/dbraw/zinc/74/03/09/1032740309.db2.gz OMFLJWGTNJRWID-DEOSSOPVSA-N 1 0 391.515 3.804 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1 ZINC001204300973 1032742685 /nfs/dbraw/zinc/74/26/85/1032742685.db2.gz YGZINYHFIHWMQU-HSZRJFAPSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)cc1 ZINC001204300874 1032742726 /nfs/dbraw/zinc/74/27/26/1032742726.db2.gz WCTPVQRZLMZWFK-XPWALMASSA-N 1 0 398.547 3.537 20 30 GHEDRO CCN(CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000778085520 1018272365 /nfs/dbraw/zinc/27/23/65/1018272365.db2.gz SUBAEPLNNKGARE-UHFFFAOYSA-N 1 0 397.523 3.695 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccc(CCC#N)cc2)cc1 ZINC000932576634 1018479105 /nfs/dbraw/zinc/47/91/05/1018479105.db2.gz BSEUWQQFBGJZDT-UHFFFAOYSA-N 1 0 380.492 3.795 20 30 GHEDRO FC1(F)[C@@H]2CN(CCC[NH+]3CCCCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932949666 1018781099 /nfs/dbraw/zinc/78/10/99/1018781099.db2.gz PSRYROFIGGZFMJ-VXGBXAGGSA-N 1 0 394.350 3.965 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000778152279 1018814189 /nfs/dbraw/zinc/81/41/89/1018814189.db2.gz RXBSLWJEQHOAFY-SFHVURJKSA-N 1 0 390.936 3.577 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000933072060 1018831462 /nfs/dbraw/zinc/83/14/62/1018831462.db2.gz FDFWLYWHMKXTBE-FXAWDEMLSA-N 1 0 379.508 3.703 20 30 GHEDRO Cc1ccccc1C[N@@H+](Cc1ccccn1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000567994056 1019365679 /nfs/dbraw/zinc/36/56/79/1019365679.db2.gz BOCISWQOJUFPHY-QHCPKHFHSA-N 1 0 387.483 3.704 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cnccc2C#N)cc1)C[C@H]1CCCCO1 ZINC000568557565 1019422222 /nfs/dbraw/zinc/42/22/22/1019422222.db2.gz HYHRITQFFURPGE-OAQYLSRUSA-N 1 0 392.503 3.985 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000569759765 1019514546 /nfs/dbraw/zinc/51/45/46/1019514546.db2.gz QXLNFYTVHLOWII-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)CC3)n2C2CC2)cc1 ZINC000569818759 1019521978 /nfs/dbraw/zinc/52/19/78/1019521978.db2.gz FPKMYGKSBUZSBM-LJQANCHMSA-N 1 0 376.508 3.606 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1F ZINC000570423503 1019605263 /nfs/dbraw/zinc/60/52/63/1019605263.db2.gz PIXSPRUFRMVRSY-CVEARBPZSA-N 1 0 380.423 3.563 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(OC(F)F)cc4)C3)CC2=O)c1 ZINC001204421186 1032852077 /nfs/dbraw/zinc/85/20/77/1032852077.db2.gz MYGDTBYIYDNWSZ-QFIPXVFZSA-N 1 0 397.425 3.789 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000575799217 1019948712 /nfs/dbraw/zinc/94/87/12/1019948712.db2.gz BDVYIKZYSKXMNN-MJUUVYJYSA-N 1 0 383.536 3.732 20 30 GHEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)Cc1ccc(Cl)cc1 ZINC000576230696 1019991616 /nfs/dbraw/zinc/99/16/16/1019991616.db2.gz LBNQHUBYHPKCKK-LSDHHAIUSA-N 1 0 387.867 3.934 20 30 GHEDRO CC1(C)CN(C(=O)c2cc(C#N)ccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000576467384 1020017311 /nfs/dbraw/zinc/01/73/11/1020017311.db2.gz FQWIJMXWOYPCRZ-QFIPXVFZSA-N 1 0 388.515 3.716 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000577453800 1020192750 /nfs/dbraw/zinc/19/27/50/1020192750.db2.gz ZXENOYJLSGSMBD-CQOQZXRMSA-N 1 0 378.516 3.883 20 30 GHEDRO C#CCCCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000779128900 1020393349 /nfs/dbraw/zinc/39/33/49/1020393349.db2.gz QKJFWSIQSROCST-HXUWFJFHSA-N 1 0 377.456 3.851 20 30 GHEDRO Cc1ccc(-n2ncc(C#N)c2Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001204490647 1032924629 /nfs/dbraw/zinc/92/46/29/1032924629.db2.gz CBGFMPIJLNVWLL-UHFFFAOYSA-N 1 0 386.503 3.543 20 30 GHEDRO CC(C)[C@@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Br)cc1 ZINC000192372377 1020867259 /nfs/dbraw/zinc/86/72/59/1020867259.db2.gz WAPMNWWITIKNKR-RTBURBONSA-N 1 0 392.341 3.718 20 30 GHEDRO CC(C)NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 ZINC000193074285 1020910457 /nfs/dbraw/zinc/91/04/57/1020910457.db2.gz RUKXKAFSAPTHRQ-UHFFFAOYSA-O 1 0 398.508 3.698 20 30 GHEDRO C#CCCCCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000779746097 1020938586 /nfs/dbraw/zinc/93/85/86/1020938586.db2.gz NCBQWKGSYOWUKZ-UHFFFAOYSA-N 1 0 392.341 3.723 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637662322 1021024733 /nfs/dbraw/zinc/02/47/33/1021024733.db2.gz GGQHBVCGVVWAFT-UHFFFAOYSA-N 1 0 399.543 3.537 20 30 GHEDRO COc1ccc(OC)c([C@H](O)C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000303911167 1021147873 /nfs/dbraw/zinc/14/78/73/1021147873.db2.gz ZHTBPNFRLKDEFC-HXUWFJFHSA-N 1 0 383.492 3.691 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001140439047 1021710725 /nfs/dbraw/zinc/71/07/25/1021710725.db2.gz VPSHNSPIVXXYCO-LJQANCHMSA-N 1 0 394.519 3.966 20 30 GHEDRO CN(CC[NH+]1CCCC1)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140440107 1021712877 /nfs/dbraw/zinc/71/28/77/1021712877.db2.gz XPTGLVVWMAXMNI-UHFFFAOYSA-N 1 0 382.508 3.824 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000835067684 1021850101 /nfs/dbraw/zinc/85/01/01/1021850101.db2.gz AIJHSCWDFJPVCA-SFTDATJTSA-N 1 0 399.535 3.843 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(C)ccc3O)C[C@@H]2c2ccccc2)C1=O ZINC001140620767 1022093288 /nfs/dbraw/zinc/09/32/88/1022093288.db2.gz AZWCYBFWXDUQJY-QPPBQGQZSA-N 1 0 376.500 3.705 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)cccc3Br)C2)C1=O ZINC001137463976 1022330190 /nfs/dbraw/zinc/33/01/90/1022330190.db2.gz IWMQLULJJFTPME-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO N#CCSCC(=O)OC[C@]1(c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000835751657 1022349148 /nfs/dbraw/zinc/34/91/48/1022349148.db2.gz YXCXBCSTTCEXFC-QFIPXVFZSA-N 1 0 380.513 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3cc(F)c(C#N)c(F)c3)C2)C1 ZINC001140753103 1022436542 /nfs/dbraw/zinc/43/65/42/1022436542.db2.gz XMZWHWHSXMAMFG-CQSZACIVSA-N 1 0 377.435 3.525 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]2C1 ZINC001140808226 1022583496 /nfs/dbraw/zinc/58/34/96/1022583496.db2.gz MSBFYRHDFUTRQE-NVXWUHKLSA-N 1 0 375.900 3.900 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754390059 1022665888 /nfs/dbraw/zinc/66/58/88/1022665888.db2.gz UPBCGGYSDMHSGO-CABCVRRESA-N 1 0 389.546 3.652 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c1O ZINC000754738872 1022872336 /nfs/dbraw/zinc/87/23/36/1022872336.db2.gz HOPCALFIFKBHII-UHFFFAOYSA-N 1 0 386.467 3.599 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCCN(c3ncccc3F)CC2)c1 ZINC000755072134 1023061572 /nfs/dbraw/zinc/06/15/72/1023061572.db2.gz LKCQAQRVCYCPKZ-UHFFFAOYSA-N 1 0 389.272 3.567 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3cccc(O)c3n1)CC2 ZINC001141018599 1023220385 /nfs/dbraw/zinc/22/03/85/1023220385.db2.gz CCPKHXLZPDTVRT-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(N=Nc1ncnc3ccsc31)c1ccccc1O2 ZINC000755798657 1023385577 /nfs/dbraw/zinc/38/55/77/1023385577.db2.gz SYYBLPRVMPUNKX-UHFFFAOYSA-N 1 0 379.489 3.754 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1Br ZINC001141092101 1023471329 /nfs/dbraw/zinc/47/13/29/1023471329.db2.gz HDIUVFUPEMGFPL-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141107213 1023515959 /nfs/dbraw/zinc/51/59/59/1023515959.db2.gz TZIUYCLTQNLDMZ-UHFFFAOYSA-N 1 0 398.960 3.982 20 30 GHEDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2sc(N)c(C#N)c2Cl)O1 ZINC001141111407 1023526198 /nfs/dbraw/zinc/52/61/98/1023526198.db2.gz QPXSRMBQLPXETO-BPLDGKMQSA-N 1 0 383.945 3.650 20 30 GHEDRO N#Cc1cc(-c2cccc3c2cnn3[C@H]2CCCCO2)ccc1N1CC[NH2+]CC1 ZINC001204881842 1033144156 /nfs/dbraw/zinc/14/41/56/1033144156.db2.gz MJSVTTVDUUDSSB-HSZRJFAPSA-N 1 0 387.487 3.684 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1C#N ZINC000756549228 1023709569 /nfs/dbraw/zinc/70/95/69/1023709569.db2.gz BOHQFAGLDJEGMI-XLIONFOSSA-N 1 0 382.460 3.806 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000757016965 1023908833 /nfs/dbraw/zinc/90/88/33/1023908833.db2.gz GHTWWZBULJUEGX-FYYLOGMGSA-N 1 0 375.516 3.962 20 30 GHEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000837072667 1023990571 /nfs/dbraw/zinc/99/05/71/1023990571.db2.gz IOFGDJSQJUEOOP-UXHICEINSA-N 1 0 379.589 3.576 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cccc(-n4ccnc4)c3)C2)CC1 ZINC001141238817 1024237212 /nfs/dbraw/zinc/23/72/12/1024237212.db2.gz VMYWMZJOVQKKDJ-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccccc1 ZINC000831100229 1024355108 /nfs/dbraw/zinc/35/51/08/1024355108.db2.gz TWEJMOBRIFOAQL-OAQYLSRUSA-N 1 0 376.504 3.633 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@H](CO)[C@@H](C(F)(F)F)C3)cc2)cc1 ZINC001141289993 1024417114 /nfs/dbraw/zinc/41/71/14/1024417114.db2.gz WSVLXWHHTITSCV-APWZRJJASA-N 1 0 376.378 3.953 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC001141298570 1024443810 /nfs/dbraw/zinc/44/38/10/1024443810.db2.gz XJHGEAQHVOKDHF-HSZRJFAPSA-N 1 0 379.504 3.893 20 30 GHEDRO CC(C)(C)C#CC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000837448402 1024465017 /nfs/dbraw/zinc/46/50/17/1024465017.db2.gz DUMNEDSMWQROHK-GOSISDBHSA-N 1 0 380.454 3.949 20 30 GHEDRO COC(=O)c1ccc2c(C[NH+]3CCC(Oc4ccccc4C#N)CC3)c[nH]c2c1 ZINC001138267387 1024507407 /nfs/dbraw/zinc/50/74/07/1024507407.db2.gz JWSSRZRSPSSABQ-UHFFFAOYSA-N 1 0 389.455 3.870 20 30 GHEDRO COc1cc2cccnc2c(N(c2cc(CC#N)ccn2)[C@H](C)CCC[NH3+])c1 ZINC001156755071 1033224758 /nfs/dbraw/zinc/22/47/58/1033224758.db2.gz JGRWXZATSLKGQD-MRXNPFEDSA-N 1 0 375.476 3.970 20 30 GHEDRO C#CCOc1ccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC001138344105 1024705023 /nfs/dbraw/zinc/70/50/23/1024705023.db2.gz XIRMMRDMAVMCTG-KRWDZBQOSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC=C)[C@H]2CC)cc1OC ZINC001138346251 1024706183 /nfs/dbraw/zinc/70/61/83/1024706183.db2.gz ZREOWNYRBMKAJO-VWNXMTODSA-N 1 0 396.531 3.629 20 30 GHEDRO C#CCOc1ccc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001138347010 1024709011 /nfs/dbraw/zinc/70/90/11/1024709011.db2.gz CVJZJTFJBXMIRS-QFIPXVFZSA-N 1 0 378.516 3.804 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1C ZINC001205067787 1033234062 /nfs/dbraw/zinc/23/40/62/1033234062.db2.gz ZTOHXQXPMYAAFG-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccnc1NC(=O)C(C)(C)C)C2 ZINC001138537569 1024979081 /nfs/dbraw/zinc/97/90/81/1024979081.db2.gz GKVSBFQYXIBFQF-QHCPKHFHSA-N 1 0 398.551 3.599 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccnc1NC(=O)C(C)(C)C)CC2 ZINC001138540600 1024981693 /nfs/dbraw/zinc/98/16/93/1024981693.db2.gz QQVXNFNTENRZPV-HSZRJFAPSA-N 1 0 398.551 3.599 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(-n4ccnc4C)cc3)C2)C1 ZINC001138542315 1024985060 /nfs/dbraw/zinc/98/50/60/1024985060.db2.gz COUCGGAXYDJULL-QHCPKHFHSA-N 1 0 394.519 3.791 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)cc1 ZINC001138557391 1025018301 /nfs/dbraw/zinc/01/83/01/1025018301.db2.gz JMWHDTSKMGRZTC-DHIUTWEWSA-N 1 0 390.483 3.684 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)cc1 ZINC001138558384 1025020029 /nfs/dbraw/zinc/02/00/29/1025020029.db2.gz SXLHCIMAGVUYEK-NRFANRHFSA-N 1 0 380.532 3.607 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)c1O ZINC001138627431 1025126884 /nfs/dbraw/zinc/12/68/84/1025126884.db2.gz HFRNGDJSIWWSOF-UHFFFAOYSA-N 1 0 398.528 3.580 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001138647642 1025157931 /nfs/dbraw/zinc/15/79/31/1025157931.db2.gz FLRWWOLSXWAGKY-JOCHJYFZSA-N 1 0 382.483 3.545 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001138660785 1025178587 /nfs/dbraw/zinc/17/85/87/1025178587.db2.gz CXPFITZGHGKBNQ-UHFFFAOYSA-N 1 0 378.520 3.633 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001138661042 1025180969 /nfs/dbraw/zinc/18/09/69/1025180969.db2.gz MGIJSZURQLOQLP-HXUWFJFHSA-N 1 0 379.504 3.970 20 30 GHEDRO C=C(C)COc1ccccc1CN(C)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001138663038 1025184244 /nfs/dbraw/zinc/18/42/44/1025184244.db2.gz LZGAGFXSBGEZLS-IBGZPJMESA-N 1 0 390.524 3.709 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)cc(OC)c1OC)CC2 ZINC001138745577 1025285586 /nfs/dbraw/zinc/28/55/86/1025285586.db2.gz TZVBHXFPXMRERG-NRFANRHFSA-N 1 0 392.927 3.890 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnc(N(CC)CC)s3)C2)C1 ZINC001138798237 1025374720 /nfs/dbraw/zinc/37/47/20/1025374720.db2.gz BWNPQLSOJIHTPW-FQEVSTJZSA-N 1 0 392.569 3.600 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc4ccccc4n3)C[C@@H]2c2ccccc2)C1=O ZINC001138864391 1025489133 /nfs/dbraw/zinc/48/91/33/1025489133.db2.gz QHJYGDUDCQIBIE-BWKNWUBXSA-N 1 0 398.510 3.634 20 30 GHEDRO N#Cc1c[nH]c2ncnc(NCC3(Cc4ccc(Cl)cc4)CC[NH2+]CC3)c12 ZINC001161990428 1025524637 /nfs/dbraw/zinc/52/46/37/1025524637.db2.gz PEBRZOXDNRQTBR-UHFFFAOYSA-N 1 0 380.883 3.507 20 30 GHEDRO N#Cc1nc(Cl)cnc1NCC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001161992001 1025525804 /nfs/dbraw/zinc/52/58/04/1025525804.db2.gz FQLAFVXSFOPLHZ-UHFFFAOYSA-N 1 0 376.291 3.679 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ccc(S(=O)(=O)CC)nc2)cc1 ZINC001162038589 1025554734 /nfs/dbraw/zinc/55/47/34/1025554734.db2.gz BHFSMEOKKZQWKF-FQEVSTJZSA-N 1 0 385.533 3.810 20 30 GHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ccc(S(=O)(=O)CC)nc2)cc1 ZINC001162038591 1025555282 /nfs/dbraw/zinc/55/52/82/1025555282.db2.gz BHFSMEOKKZQWKF-HXUWFJFHSA-N 1 0 385.533 3.810 20 30 GHEDRO COCCC1([NH3+])CCN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)CC1 ZINC001162046643 1025561809 /nfs/dbraw/zinc/56/18/09/1025561809.db2.gz ZMELUTWYQPMDSY-UHFFFAOYSA-N 1 0 379.291 3.747 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001139012749 1025765271 /nfs/dbraw/zinc/76/52/71/1025765271.db2.gz TXKLPSBCHYZZBE-SFHVURJKSA-N 1 0 383.414 3.711 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001139028172 1025795387 /nfs/dbraw/zinc/79/53/87/1025795387.db2.gz ONAQBQCSGDCFIW-UHFFFAOYSA-N 1 0 391.515 3.775 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cn(C)c3ccc(OC)cc13)C2 ZINC001139146428 1025959276 /nfs/dbraw/zinc/95/92/76/1025959276.db2.gz KMFFCWIDCOBDGQ-GOTSBHOMSA-N 1 0 384.520 3.761 20 30 GHEDRO CC(C)N(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000839473284 1025963113 /nfs/dbraw/zinc/96/31/13/1025963113.db2.gz MENLCVFAZQZWSG-UHFFFAOYSA-N 1 0 386.839 3.969 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162956218 1025984299 /nfs/dbraw/zinc/98/42/99/1025984299.db2.gz CWJCJBGJWFOIMR-SFHVURJKSA-N 1 0 392.019 3.925 20 30 GHEDRO C=CCN(CCc1ccco1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000839549174 1026044601 /nfs/dbraw/zinc/04/46/01/1026044601.db2.gz XLMIRBHVWQGCFR-CYBMUJFWSA-N 1 0 377.828 3.899 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC000839615081 1026116234 /nfs/dbraw/zinc/11/62/34/1026116234.db2.gz SJSXMBMHUHIQAU-SXLOBPIMSA-N 1 0 390.524 3.627 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC001163276272 1026118842 /nfs/dbraw/zinc/11/88/42/1026118842.db2.gz RNISXKBAZLAVNN-KRWDZBQOSA-N 1 0 391.862 3.920 20 30 GHEDRO COc1cccc([C@H](C[NH3+])Nc2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)c1 ZINC001163309324 1026135862 /nfs/dbraw/zinc/13/58/62/1026135862.db2.gz KWMJHSIPKYSZTG-IBGZPJMESA-N 1 0 397.841 3.928 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163317664 1026141739 /nfs/dbraw/zinc/14/17/39/1026141739.db2.gz WDDQZSSLBWPWLK-ZMZPIMSZSA-N 1 0 395.265 3.875 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc4ccc(OC)cc4nc3Cl)C2)C1=O ZINC001139308360 1026163388 /nfs/dbraw/zinc/16/33/88/1026163388.db2.gz RJSKQBDSMMBUER-JOCHJYFZSA-N 1 0 399.922 3.897 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(c3ccccc3C#N)CC2)nc1 ZINC001163617638 1026253137 /nfs/dbraw/zinc/25/31/37/1026253137.db2.gz OXSFFVMBGBZMOF-JOCHJYFZSA-N 1 0 375.520 3.827 20 30 GHEDRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001139400817 1026272110 /nfs/dbraw/zinc/27/21/10/1026272110.db2.gz IUECQJSYVAZUJQ-SFHVURJKSA-N 1 0 389.455 3.870 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CC[N@@H+](C)C[C@H]3c3ccccc3)nn2)cc1 ZINC001163669470 1026274720 /nfs/dbraw/zinc/27/47/20/1026274720.db2.gz RPGFURMYPNWGCF-GGAORHGYSA-N 1 0 383.499 3.934 20 30 GHEDRO CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1=O ZINC001139402891 1026274878 /nfs/dbraw/zinc/27/48/78/1026274878.db2.gz ACQZSUIPAWZKCX-VWLOTQADSA-N 1 0 394.478 3.740 20 30 GHEDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139405429 1026277458 /nfs/dbraw/zinc/27/74/58/1026277458.db2.gz PHBPWMVHALYUSE-UHFFFAOYSA-N 1 0 378.476 3.673 20 30 GHEDRO CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405932 1026278356 /nfs/dbraw/zinc/27/83/56/1026278356.db2.gz FSFQEWOWLMSJCV-UHFFFAOYSA-N 1 0 392.503 3.967 20 30 GHEDRO Nc1[nH+]ccn1Cc1ccccc1NC(=NO)c1ccc(OC(F)(F)F)cc1 ZINC001163770186 1026311575 /nfs/dbraw/zinc/31/15/75/1026311575.db2.gz HLQCVVXZTCPCMP-UHFFFAOYSA-N 1 0 391.353 3.660 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001163827112 1026328250 /nfs/dbraw/zinc/32/82/50/1026328250.db2.gz QBLBXCLCMOADKZ-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001163887303 1026350828 /nfs/dbraw/zinc/35/08/28/1026350828.db2.gz YHQZMKGPRXWGTO-UHFFFAOYSA-N 1 0 383.323 3.589 20 30 GHEDRO C=CCc1ccnc(NCc2cccnc2C2CC[NH2+]CC2)c1C(OC)OC ZINC001163908148 1026358188 /nfs/dbraw/zinc/35/81/88/1026358188.db2.gz GPCLCXWFGSEFQA-UHFFFAOYSA-N 1 0 382.508 3.576 20 30 GHEDRO C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)CCN1c1cc[nH+]cc1 ZINC001164014932 1026385890 /nfs/dbraw/zinc/38/58/90/1026385890.db2.gz DABOGRZHJNEWJW-GFCCVEGCSA-N 1 0 375.245 3.570 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001139528777 1026386150 /nfs/dbraw/zinc/38/61/50/1026386150.db2.gz VWCLMVUKMHKRLH-QHCPKHFHSA-N 1 0 377.463 3.844 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)cc1F ZINC001139528926 1026388623 /nfs/dbraw/zinc/38/86/23/1026388623.db2.gz YILMLVBQFXVGEQ-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO Cc1cc(N2CCN(c3ncnc4ccc(C#N)cc43)CC2)c2ccccc2[nH+]1 ZINC001164198617 1026447283 /nfs/dbraw/zinc/44/72/83/1026447283.db2.gz GPTIUUMYJODUPJ-UHFFFAOYSA-N 1 0 380.455 3.685 20 30 GHEDRO C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139614798 1026479392 /nfs/dbraw/zinc/47/93/92/1026479392.db2.gz HOSBKYUQEOTDOV-DEOSSOPVSA-N 1 0 399.579 3.502 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC001139648957 1026510793 /nfs/dbraw/zinc/51/07/93/1026510793.db2.gz IIGTZOBZKZTCTC-PKTZIBPZSA-N 1 0 395.478 3.680 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C2)C1 ZINC001139701668 1026547380 /nfs/dbraw/zinc/54/73/80/1026547380.db2.gz NPVVFUGDXUCTBW-JOCHJYFZSA-N 1 0 378.476 3.650 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)c[nH]c21 ZINC001139704965 1026549531 /nfs/dbraw/zinc/54/95/31/1026549531.db2.gz HRQNNDGEYIBBOF-UHFFFAOYSA-N 1 0 385.393 3.776 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)C1=O ZINC001139705183 1026549957 /nfs/dbraw/zinc/54/99/57/1026549957.db2.gz MSDNZKRRDKYBFB-JOCHJYFZSA-N 1 0 398.510 3.878 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165083356 1026594613 /nfs/dbraw/zinc/59/46/13/1026594613.db2.gz HFXKAGOLFSCMOU-IAGOWNOFSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1Cl ZINC001165088651 1026598722 /nfs/dbraw/zinc/59/87/22/1026598722.db2.gz SATRDSXUVVOSPH-DLBZAZTESA-N 1 0 388.849 3.862 20 30 GHEDRO C[N@H+]1C[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@H]2C1 ZINC001165153737 1026635927 /nfs/dbraw/zinc/63/59/27/1026635927.db2.gz SAHHKDIUOFZZJB-PHIMTYICSA-N 1 0 397.256 3.956 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c1 ZINC001139877342 1026693489 /nfs/dbraw/zinc/69/34/89/1026693489.db2.gz GWZXJDCHVNMQAH-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c1 ZINC001139877093 1026693851 /nfs/dbraw/zinc/69/38/51/1026693851.db2.gz XPSDDJHKWSHAQM-QRTHJKPMSA-N 1 0 381.426 3.933 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165305167 1026698082 /nfs/dbraw/zinc/69/80/82/1026698082.db2.gz JYAMJAMHTLFSPV-KRWDZBQOSA-N 1 0 387.409 3.669 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC[C@]3(C[C@H](c4ccccc4)CO3)C1)C[NH2+]CCC2 ZINC001165725180 1026809047 /nfs/dbraw/zinc/80/90/47/1026809047.db2.gz SOUXWBIQXBDKDH-CYFREDJKSA-N 1 0 388.515 3.532 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cc(O)ccc4F)C3)C2)c1 ZINC001140048406 1026831637 /nfs/dbraw/zinc/83/16/37/1026831637.db2.gz ZPJXDTMULWIXAU-HSZRJFAPSA-N 1 0 395.478 3.522 20 30 GHEDRO Cc1nc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)c(Cl)cc1C#N ZINC001165824111 1026846705 /nfs/dbraw/zinc/84/67/05/1026846705.db2.gz ZQPCZOFPUHXABL-UHFFFAOYSA-N 1 0 381.842 3.595 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C3)c3ccccc3N(CC3CC3)C4=O)c2c1 ZINC001140114431 1026897166 /nfs/dbraw/zinc/89/71/66/1026897166.db2.gz PKJIETRCSVRNAC-RUZDIDTESA-N 1 0 396.494 3.940 20 30 GHEDRO N#Cc1cc(C#N)c(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)nc1Cl ZINC001166911098 1027150023 /nfs/dbraw/zinc/15/00/23/1027150023.db2.gz TYPDRMBKCCWGCO-UHFFFAOYSA-N 1 0 380.666 3.750 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2)nn(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1=S ZINC000840089713 1027169664 /nfs/dbraw/zinc/16/96/64/1027169664.db2.gz JHGYCXGOPCEFPB-GASCZTMLSA-N 1 0 391.972 3.902 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c1O ZINC000840118569 1027234819 /nfs/dbraw/zinc/23/48/19/1027234819.db2.gz FYTZTESUNQJMQM-UHFFFAOYSA-N 1 0 382.508 3.981 20 30 GHEDRO O[C@H](CC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)F ZINC001203352024 1027287464 /nfs/dbraw/zinc/28/74/64/1027287464.db2.gz MXADGHAWBDLAQH-ZYHUDNBSSA-N 1 0 381.263 3.664 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(O)c(OC)c1 ZINC000840176662 1027313101 /nfs/dbraw/zinc/31/31/01/1027313101.db2.gz GROASTIPATUTIX-QHCPKHFHSA-N 1 0 379.456 3.739 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(Nc3cccnc3C#N)cc2C(F)(F)F)CC1 ZINC001210148279 1027359704 /nfs/dbraw/zinc/35/97/04/1027359704.db2.gz CDAAEOVGBNGOBW-UHFFFAOYSA-N 1 0 389.425 3.853 20 30 GHEDRO COc1ccc(CN2CC[C@@]3(CCC[N@H+](Cc4ccc(C#N)cc4)C3)C2=O)cc1 ZINC001203902974 1027696381 /nfs/dbraw/zinc/69/63/81/1027696381.db2.gz PJUUHCFLVVTECP-XMMPIXPASA-N 1 0 389.499 3.582 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)cc1 ZINC001203967515 1027765982 /nfs/dbraw/zinc/76/59/82/1027765982.db2.gz CSPMGZNDOBPVLU-HXUWFJFHSA-N 1 0 388.305 3.849 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3cc(F)c(OCC)c(Cl)c3)C2)C1=O ZINC001276438214 1027843871 /nfs/dbraw/zinc/84/38/71/1027843871.db2.gz AMHNDWHXVGAVRH-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC001142006934 1027870532 /nfs/dbraw/zinc/87/05/32/1027870532.db2.gz MIABPIRDXLQQAG-OAQYLSRUSA-N 1 0 399.878 3.789 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C1CCCCC1 ZINC001211270284 1027878888 /nfs/dbraw/zinc/87/88/88/1027878888.db2.gz VYKBXHHPYUMOJR-ROUUACIJSA-N 1 0 396.457 3.971 20 30 GHEDRO Cc1cc(-c2noc([C@@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)ccc1Cl ZINC001211379550 1027931183 /nfs/dbraw/zinc/93/11/83/1027931183.db2.gz JTNPCCKFWNZFKZ-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO C=CCN1C(=O)N(c2ccc3c(c2)CC[C@@H]3[NH+](C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000840905191 1027939079 /nfs/dbraw/zinc/93/90/79/1027939079.db2.gz ZNNBHTIAYMYVLB-FCHUYYIVSA-N 1 0 389.499 3.801 20 30 GHEDRO C[C@H]([NH3+])c1ncc(-c2nc(-c3ccc(Br)cc3C#N)no2)s1 ZINC001213205016 1028044962 /nfs/dbraw/zinc/04/49/62/1028044962.db2.gz KHMBBPMSJPKHAH-ZETCQYMHSA-N 1 0 376.239 3.514 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccc(C#N)cc1OC(F)(F)F ZINC001213893478 1028434668 /nfs/dbraw/zinc/43/46/68/1028434668.db2.gz FOHHHEQQOGVTCA-UHFFFAOYSA-N 1 0 392.381 3.619 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2)s1 ZINC000841830597 1028970888 /nfs/dbraw/zinc/97/08/88/1028970888.db2.gz JODDDHTUBCCCNS-YTQUADARSA-N 1 0 380.517 3.556 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)s1 ZINC000841830897 1028971924 /nfs/dbraw/zinc/97/19/24/1028971924.db2.gz ORKGTZNCFSWCBN-RTBURBONSA-N 1 0 394.544 3.818 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001215512762 1029248758 /nfs/dbraw/zinc/24/87/58/1029248758.db2.gz VHUZQYKYYIKXAA-APWZRJJASA-N 1 0 381.451 3.622 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001215512765 1029248848 /nfs/dbraw/zinc/24/88/48/1029248848.db2.gz VHUZQYKYYIKXAA-VQIMIIECSA-N 1 0 381.451 3.622 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@H]4O[C@H](COc5cccnc5)CC[C@H]43)c[nH]c2c1 ZINC001142916923 1029689175 /nfs/dbraw/zinc/68/91/75/1029689175.db2.gz LIIPWJSIULCCIR-WWPVKYPJSA-N 1 0 388.471 3.635 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4c[nH]c5cc(C#N)ccc45)CC[N@@H+]3C2)cc1 ZINC001142928924 1029709459 /nfs/dbraw/zinc/70/94/59/1029709459.db2.gz OHODMRZHMSJORC-IRLDBZIGSA-N 1 0 386.499 3.686 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3ccc(N4CCC([NH3+])CC4)cc3)no2)cc1 ZINC000843142685 1029826264 /nfs/dbraw/zinc/82/62/64/1029826264.db2.gz HRRAVYSPPVICQA-UHFFFAOYSA-N 1 0 376.460 3.896 20 30 GHEDRO Cc1ncc(CO)c(C=Nc2ccc(SCC[NH+]3CCCCC3)cc2)c1O ZINC000843265067 1029873904 /nfs/dbraw/zinc/87/39/04/1029873904.db2.gz UBQSWAFALIEANR-UHFFFAOYSA-N 1 0 385.533 3.917 20 30 GHEDRO CCN(CC)c1ccc(C=[NH+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c(O)c1 ZINC000843265641 1029874831 /nfs/dbraw/zinc/87/48/31/1029874831.db2.gz HNFBIUCQRHUALJ-WTJYETQFSA-N 1 0 380.492 3.948 20 30 GHEDRO C#CC[C@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000843424428 1029996580 /nfs/dbraw/zinc/99/65/80/1029996580.db2.gz UJUTVLQPVHQEOI-SFHVURJKSA-N 1 0 381.545 3.882 20 30 GHEDRO CSc1ccc(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC001222210818 1030006892 /nfs/dbraw/zinc/00/68/92/1030006892.db2.gz KAJURXMRTWJIKV-CALCHBBNSA-N 1 0 388.581 3.837 20 30 GHEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC001461605858 1069637159 /nfs/dbraw/zinc/63/71/59/1069637159.db2.gz UDBVHVVMGMURFF-GOSISDBHSA-N 1 0 388.305 3.892 20 30 GHEDRO C[N@@H+]1CCCN(Cc2cccc(-c3nc(-c4cc(C#N)ccc4F)no3)c2)CC1 ZINC001217099187 1030162371 /nfs/dbraw/zinc/16/23/71/1030162371.db2.gz NSGXDTCQNOQMQW-UHFFFAOYSA-N 1 0 391.450 3.552 20 30 GHEDRO C[N@H+](CCCOc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC001222676585 1030274439 /nfs/dbraw/zinc/27/44/39/1030274439.db2.gz IDVAVDPKPPLRNA-AZUAARDMSA-N 1 0 398.551 3.821 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001223403860 1030558047 /nfs/dbraw/zinc/55/80/47/1030558047.db2.gz YAEIZLBWWOROGK-OAQYLSRUSA-N 1 0 379.504 3.715 20 30 GHEDRO C[N@@H+]1CCCn2nc(-c3nc(-c4ccc(C(C)(C)C)cc4C#N)no3)cc2C1 ZINC001217688347 1030610659 /nfs/dbraw/zinc/61/06/59/1030610659.db2.gz HOKUXIFLJLMESX-UHFFFAOYSA-N 1 0 376.464 3.605 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC001223538049 1030626856 /nfs/dbraw/zinc/62/68/56/1030626856.db2.gz NNTSWQBIZBADBP-YADHBBJMSA-N 1 0 377.488 3.506 20 30 GHEDRO O=C1C[C@H]2C[C@@H](O/C(=N\O)c3ccc(Cl)cc3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001223592785 1030651873 /nfs/dbraw/zinc/65/18/73/1030651873.db2.gz FHBRPRZCYPXKRW-QVSXHITASA-N 1 0 384.863 3.867 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1O[C@H](C(=O)OCC)c1ccc(Br)cc1 ZINC001217927741 1030674409 /nfs/dbraw/zinc/67/44/09/1030674409.db2.gz XLOSQFWTARUPKN-ZACQAIPSSA-N 1 0 382.298 3.767 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001217985096 1030705746 /nfs/dbraw/zinc/70/57/46/1030705746.db2.gz DJGSAAWUCXAZMY-RNCFNFMXSA-N 1 0 388.103 3.850 20 30 GHEDRO CCCCC/C=C\C(=O)CCc1ccc(O[C@@H]2C[NH2+]CCOC2)c(OC)c1 ZINC001218047555 1030740775 /nfs/dbraw/zinc/74/07/75/1030740775.db2.gz SQIUEJWASPIMPE-WHXUGTBJSA-N 1 0 375.509 3.701 20 30 GHEDRO CCCCC/C=C\C(=O)CCc1ccc(O[C@H]2C[NH2+]CCOC2)c(OC)c1 ZINC001218047553 1030741297 /nfs/dbraw/zinc/74/12/97/1030741297.db2.gz SQIUEJWASPIMPE-AQWUKCDYSA-N 1 0 375.509 3.701 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001223764694 1030742603 /nfs/dbraw/zinc/74/26/03/1030742603.db2.gz PDFCGQSRJGMMAU-VGSWGCGISA-N 1 0 378.472 3.772 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1OC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001218069658 1030754558 /nfs/dbraw/zinc/75/45/58/1030754558.db2.gz UYQZCPGTCYIESL-KRWDZBQOSA-N 1 0 384.520 3.941 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(O[C@@H]3CCC[C@@]34CC[NH2+]C4)cccc1C2=O ZINC001218097483 1030770569 /nfs/dbraw/zinc/77/05/69/1030770569.db2.gz VBOKRSGYIJWKBH-HXOBKFHXSA-N 1 0 381.472 3.820 20 30 GHEDRO COc1cc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218136198 1030791927 /nfs/dbraw/zinc/79/19/27/1030791927.db2.gz MNYQZVOZBFFFQS-DHJSCHLKSA-N 1 0 379.456 3.674 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218264132 1030859283 /nfs/dbraw/zinc/85/92/83/1030859283.db2.gz PVKQXDMXVSXDAM-RYQLWAFASA-N 1 0 391.515 3.841 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001218404539 1030923440 /nfs/dbraw/zinc/92/34/40/1030923440.db2.gz JKWXSWWKVZCOQV-NJOCMLCCSA-N 1 0 383.444 3.522 20 30 GHEDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001218416365 1030930927 /nfs/dbraw/zinc/93/09/27/1030930927.db2.gz SGHTUDNSKTTYDI-PTDYBPKRSA-N 1 0 379.504 3.697 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC001218422656 1030932881 /nfs/dbraw/zinc/93/28/81/1030932881.db2.gz JMRGHOBZAJXFLT-UZLBHIALSA-N 1 0 379.456 3.776 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001218454808 1030943519 /nfs/dbraw/zinc/94/35/19/1030943519.db2.gz CDOQURQKGICPJN-ZWNOBZJWSA-N 1 0 375.303 3.597 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218467231 1030949285 /nfs/dbraw/zinc/94/92/85/1030949285.db2.gz OSCPYCGZKGVWEB-PVOGEZMNSA-N 1 0 379.456 3.674 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCCOc2ccc(C#N)cc2)O1 ZINC001224285891 1030955091 /nfs/dbraw/zinc/95/50/91/1030955091.db2.gz FHBZCICSAMILFV-JOCHJYFZSA-N 1 0 380.488 3.633 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)c2ccccc2)CC1 ZINC001224307301 1030963049 /nfs/dbraw/zinc/96/30/49/1030963049.db2.gz QTQHFFUUZAAVBF-QFIPXVFZSA-N 1 0 394.494 3.970 20 30 GHEDRO C#Cc1cc(NC(=O)[C@@H](C)C[C@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)ccn1 ZINC001218524973 1030972670 /nfs/dbraw/zinc/97/26/70/1030972670.db2.gz PYINQWNAKPZMNA-AVRDEDQJSA-N 1 0 383.495 3.687 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001218542465 1030980531 /nfs/dbraw/zinc/98/05/31/1030980531.db2.gz UHRDINLPKZTNDL-QVKFZJNVSA-N 1 0 399.491 3.913 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c(-c2ccccc2)n1 ZINC001461727541 1069705512 /nfs/dbraw/zinc/70/55/12/1069705512.db2.gz GJQHMYWIRINGRM-NRFANRHFSA-N 1 0 394.906 3.810 20 30 GHEDRO N#Cc1c2ccccc2sc1NC(=O)C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001218648765 1031018051 /nfs/dbraw/zinc/01/80/51/1031018051.db2.gz JMGJMXOWRWUGMV-QGZVFWFLSA-N 1 0 390.512 3.576 20 30 GHEDRO N#Cc1cccc2[nH]nc(NC(=O)[C@@H]([NH3+])C(c3ccccc3)c3ccccc3)c21 ZINC001218657031 1031021455 /nfs/dbraw/zinc/02/14/55/1031021455.db2.gz XLSIDCCEDXCAGO-NRFANRHFSA-N 1 0 381.439 3.532 20 30 GHEDRO CNc1ccc(C#N)cc1NC(=O)C[C@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC001218981458 1031193948 /nfs/dbraw/zinc/19/39/48/1031193948.db2.gz SOZKHPLKDZYNPT-INIZCTEOSA-N 1 0 392.478 3.876 20 30 GHEDRO CCc1cc(NC(=O)[C@@H]([NH3+])CSCc2ccc(OC)cc2)cc(CC)c1C#N ZINC001219114987 1031258020 /nfs/dbraw/zinc/25/80/20/1031258020.db2.gz WHYDGHSWVQRJKU-NRFANRHFSA-N 1 0 397.544 3.891 20 30 GHEDRO COC(=O)c1cc(C#N)cc(NC(=O)[C@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)c1 ZINC001219130988 1031265826 /nfs/dbraw/zinc/26/58/26/1031265826.db2.gz CIUVLNXSGRPDLH-JOCHJYFZSA-N 1 0 399.450 3.520 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)CCC[NH2+]1 ZINC001219178248 1031289312 /nfs/dbraw/zinc/28/93/12/1031289312.db2.gz PNHKQCQKOZSPRC-OAQYLSRUSA-N 1 0 399.853 3.815 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CCC12CC[NH+](C)CC2 ZINC001219368444 1031382409 /nfs/dbraw/zinc/38/24/09/1031382409.db2.gz NUXLVNWUWGTMES-UHFFFAOYSA-N 1 0 391.475 3.756 20 30 GHEDRO Cc1cc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ncc1C#N ZINC001219692217 1031559223 /nfs/dbraw/zinc/55/92/23/1031559223.db2.gz FXMRMZUQDBAZPE-INIZCTEOSA-N 1 0 391.397 3.705 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3cc(CC#N)ccn3)cc2)C1 ZINC001219701640 1031564298 /nfs/dbraw/zinc/56/42/98/1031564298.db2.gz SSKHYYREMCBTBY-ROUUACIJSA-N 1 0 391.519 3.947 20 30 GHEDRO N#Cc1ccc(Br)cc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001225785817 1031603059 /nfs/dbraw/zinc/60/30/59/1031603059.db2.gz CYHUODPXPMRSLL-GOSISDBHSA-N 1 0 387.277 3.601 20 30 GHEDRO N#Cc1cc(Br)ccc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001225837244 1031640610 /nfs/dbraw/zinc/64/06/10/1031640610.db2.gz RSUIHVIABPZAPJ-GOSISDBHSA-N 1 0 387.277 3.601 20 30 GHEDRO CC(C)(NC(=O)C[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC001219989468 1031731904 /nfs/dbraw/zinc/73/19/04/1031731904.db2.gz BRNKADZRYGIMJG-GOSISDBHSA-N 1 0 389.421 3.888 20 30 GHEDRO Cc1cc2[nH]c(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC001154010072 1031870732 /nfs/dbraw/zinc/87/07/32/1031870732.db2.gz XCQXNIYNBQNIMY-UHFFFAOYSA-N 1 0 378.501 3.826 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+]C1CCN(c3ccc(C#N)cc3)CC1)C2 ZINC001461819002 1069770085 /nfs/dbraw/zinc/77/00/85/1069770085.db2.gz SFIRRJDYKSJERM-HKBOAZHASA-N 1 0 396.535 3.657 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CCc2cc(Br)ccc2C1 ZINC001220646190 1032043424 /nfs/dbraw/zinc/04/34/24/1032043424.db2.gz OBAQSADKPWSLGR-ROUUACIJSA-N 1 0 379.342 3.886 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@@H](Cc2cccc(C)c2)C[NH2+]1 ZINC001220664019 1032051325 /nfs/dbraw/zinc/05/13/25/1032051325.db2.gz UNCRVIZVTZBBMB-DWLFOUALSA-N 1 0 378.516 3.958 20 30 GHEDRO COc1cc(-c2ccc(O)c(O[C@H](CC#N)C[N+](C)(C)C)c2)nc2ccccc21 ZINC001226624794 1032052748 /nfs/dbraw/zinc/05/27/48/1032052748.db2.gz XVMZGLLVOJUUET-QGZVFWFLSA-O 1 0 392.479 3.983 20 30 GHEDRO COc1cc2cc(C#N)c(-c3ccc(OCCC[NH+](C)C)nc3)nc2cc1OC ZINC001205204728 1033302484 /nfs/dbraw/zinc/30/24/84/1033302484.db2.gz QEVJQQAGLDEKDP-UHFFFAOYSA-N 1 0 392.459 3.516 20 30 GHEDRO CC[NH+]1CCC(Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001229208159 1033341921 /nfs/dbraw/zinc/34/19/21/1033341921.db2.gz NARBCOQYGTZJMZ-MTJSOVHGSA-N 1 0 381.428 3.577 20 30 GHEDRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205473447 1033428050 /nfs/dbraw/zinc/42/80/50/1033428050.db2.gz ZUEUFDFDTKOVCX-HXUWFJFHSA-N 1 0 377.463 3.678 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)ccc1F ZINC001205478927 1033431438 /nfs/dbraw/zinc/43/14/38/1033431438.db2.gz HYWZOCYDALJLPP-OAQYLSRUSA-N 1 0 385.389 3.605 20 30 GHEDRO CC(C)[NH+]1CCC(Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001229586739 1033575521 /nfs/dbraw/zinc/57/55/21/1033575521.db2.gz KLMUCKRIGQONDA-XVNBXDOJSA-N 1 0 397.471 3.951 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1 ZINC001157434917 1033587119 /nfs/dbraw/zinc/58/71/19/1033587119.db2.gz OBKUGZRRUWMCIK-INIZCTEOSA-N 1 0 376.838 3.910 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H](C)C[N+](C)(C)C)cc2)cc1 ZINC001229613415 1033590167 /nfs/dbraw/zinc/59/01/67/1033590167.db2.gz CXBHAPYJLWSECA-KRWDZBQOSA-N 1 0 390.525 3.558 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCCC[C@]23CCC[NH2+]C3)cc1F ZINC001157471932 1033608533 /nfs/dbraw/zinc/60/85/33/1033608533.db2.gz PUAVEHNYPLCVAB-HXUWFJFHSA-N 1 0 385.874 3.920 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N)C(C)C ZINC001205941601 1033646029 /nfs/dbraw/zinc/64/60/29/1033646029.db2.gz BTXAWFBPYUXPFQ-NRFANRHFSA-N 1 0 383.540 3.753 20 30 GHEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC001205998018 1033678053 /nfs/dbraw/zinc/67/80/53/1033678053.db2.gz HBYJVRLQXPBRER-OAQYLSRUSA-N 1 0 382.508 3.976 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1Br ZINC001206039769 1033698416 /nfs/dbraw/zinc/69/84/16/1033698416.db2.gz HSOAARQXMRHXPV-KRWDZBQOSA-N 1 0 386.293 3.986 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(C3(Cc4ccccc4F)CC[NH2+]CC3)n2)c1 ZINC001206126807 1033730030 /nfs/dbraw/zinc/73/00/30/1033730030.db2.gz PERHHOZEDIRFGM-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001157804312 1033776635 /nfs/dbraw/zinc/77/66/35/1033776635.db2.gz BICDTEXHDZKEQU-UWVGGRQHSA-N 1 0 397.779 3.532 20 30 GHEDRO C=CCN1CC[C@]2(CCCN2Cc2c(Br)ccc(C)c2F)C1=O ZINC001277433637 1033809837 /nfs/dbraw/zinc/80/98/37/1033809837.db2.gz KKKJDTOEQDKJCW-GOSISDBHSA-N 1 0 381.289 3.650 20 30 GHEDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)c1O ZINC001277439042 1033850710 /nfs/dbraw/zinc/85/07/10/1033850710.db2.gz GJBKEDUTLBUMRX-HXUWFJFHSA-N 1 0 375.900 3.615 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(-n2cnc3ccc(C[NH3+])cc32)cc1F ZINC001158005769 1033863959 /nfs/dbraw/zinc/86/39/59/1033863959.db2.gz GXTROHLKKJYELW-UHFFFAOYSA-N 1 0 378.798 3.605 20 30 GHEDRO CCCc1cc(C#N)c(N(c2cccc(OC)n2)C2CC[NH2+]CC2)nc1Cl ZINC001158053719 1033888216 /nfs/dbraw/zinc/88/82/16/1033888216.db2.gz BUKFRNYQRZZFIK-UHFFFAOYSA-N 1 0 385.899 3.853 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001230200807 1033941914 /nfs/dbraw/zinc/94/19/14/1033941914.db2.gz MAMANDHUEDMELT-JTHBVZDNSA-N 1 0 388.515 3.852 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158166380 1033947609 /nfs/dbraw/zinc/94/76/09/1033947609.db2.gz IKPNOSWEUVGMRR-SHTZXODSSA-N 1 0 391.853 3.823 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001158174048 1033952659 /nfs/dbraw/zinc/95/26/59/1033952659.db2.gz YFTJXCIIAVISNK-MEMLXQNLSA-N 1 0 378.596 3.982 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCc2ccc(I)cc2)cc1F ZINC001206777905 1033980135 /nfs/dbraw/zinc/98/01/35/1033980135.db2.gz WQCCJBNHXMUJSG-UHFFFAOYSA-N 1 0 380.204 3.634 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 ZINC001158312442 1034016190 /nfs/dbraw/zinc/01/61/90/1034016190.db2.gz BCUDLQXOCLBUSN-DVECYGJZSA-N 1 0 397.522 3.666 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001158333672 1034027660 /nfs/dbraw/zinc/02/76/60/1034027660.db2.gz KCMSCQYVHUZUMN-UHFFFAOYSA-N 1 0 382.830 3.579 20 30 GHEDRO C=CCN(CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001207204184 1034173354 /nfs/dbraw/zinc/17/33/54/1034173354.db2.gz DZQADORWHSUKDB-UHFFFAOYSA-N 1 0 393.572 3.570 20 30 GHEDRO N#Cc1cc2c(nc1-n1cc(CC[NH3+])c3ccc(OC(F)(F)F)cc31)CCC2 ZINC001158669514 1034223833 /nfs/dbraw/zinc/22/38/33/1034223833.db2.gz BOMMXWGYYFCZRM-UHFFFAOYSA-N 1 0 386.377 3.786 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC001158739076 1034253763 /nfs/dbraw/zinc/25/37/63/1034253763.db2.gz USYHNDWYGVVDDZ-IRXDYDNUSA-N 1 0 393.491 3.666 20 30 GHEDRO CCOC(=O)CCc1ccc(O[C@H]2CCN(Cc3ccccc3C#N)C2)cc1F ZINC001230970730 1034315156 /nfs/dbraw/zinc/31/51/56/1034315156.db2.gz JIYNEQSZVZKUTE-NRFANRHFSA-N 1 0 396.462 3.846 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](CCc3ccc(Br)cc3)C2)CC1 ZINC001207377619 1034320993 /nfs/dbraw/zinc/32/09/93/1034320993.db2.gz JSLIOMKKJJVLOF-UHFFFAOYSA-N 1 0 393.325 3.712 20 30 GHEDRO COC(=O)C[C@H](C#N)c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001230990133 1034327835 /nfs/dbraw/zinc/32/78/35/1034327835.db2.gz CMZOTTJBUJNHGZ-HXUWFJFHSA-N 1 0 378.472 3.900 20 30 GHEDRO COC(=O)C[C@H](C#N)c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001230993064 1034330624 /nfs/dbraw/zinc/33/06/24/1034330624.db2.gz YNVPEJBCMLAPKE-IRLDBZIGSA-N 1 0 378.472 3.900 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)C1 ZINC001158911235 1034333025 /nfs/dbraw/zinc/33/30/25/1034333025.db2.gz MNAZYUVKCKYVDC-LJQANCHMSA-N 1 0 390.487 3.966 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001231029476 1034350154 /nfs/dbraw/zinc/35/01/54/1034350154.db2.gz BYPFOLUPMGLVRT-VGSWGCGISA-N 1 0 378.472 3.563 20 30 GHEDRO COc1c(O[C@@H](C)CS)ccc2cc3[n+](cc21)CCc1cc2c(cc1-3)OCO2 ZINC001231101431 1034398251 /nfs/dbraw/zinc/39/82/51/1034398251.db2.gz YSJKWBTVRCTSRG-ZDUSSCGKSA-O 1 0 396.488 3.785 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cc(Cl)cc(C#N)n3)nc3ccc(C)cc3n12 ZINC001159131632 1034442132 /nfs/dbraw/zinc/44/21/32/1034442132.db2.gz RZTWTLCPRZJQPS-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001207768471 1034564765 /nfs/dbraw/zinc/56/47/65/1034564765.db2.gz SQMCPLMRPDNRKC-FQEVSTJZSA-N 1 0 385.508 3.658 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001207772657 1034568790 /nfs/dbraw/zinc/56/87/90/1034568790.db2.gz OZQBJLSAPKNYSV-FQEVSTJZSA-N 1 0 385.508 3.658 20 30 GHEDRO Cc1ccnc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1C#N ZINC001159516400 1034633579 /nfs/dbraw/zinc/63/35/79/1034633579.db2.gz VITTYPLDKRWVRN-JOCHJYFZSA-N 1 0 386.499 3.737 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)C2 ZINC001231522698 1034673287 /nfs/dbraw/zinc/67/32/87/1034673287.db2.gz RSTSYTLWEYHZSM-RTBURBONSA-N 1 0 385.426 3.985 20 30 GHEDRO N#CC1(c2ccc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)nc2)CCOCC1 ZINC001159652942 1034702915 /nfs/dbraw/zinc/70/29/15/1034702915.db2.gz AMMUGPSFOWJJBR-QFIPXVFZSA-N 1 0 390.531 3.772 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)c(Cl)cc3C)C2)C1=O ZINC001276560224 1034766747 /nfs/dbraw/zinc/76/67/47/1034766747.db2.gz YRKOLKKKCVRWEN-LJQANCHMSA-N 1 0 381.303 3.829 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001231617415 1034773942 /nfs/dbraw/zinc/77/39/42/1034773942.db2.gz XBXVDKFDSLGBGA-UHFFFAOYSA-N 1 0 385.508 3.932 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)CC1 ZINC001208174948 1034774816 /nfs/dbraw/zinc/77/48/16/1034774816.db2.gz LFOBLYULLPSGKJ-NJDAHSKKSA-N 1 0 386.561 3.542 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC001231621494 1034779282 /nfs/dbraw/zinc/77/92/82/1034779282.db2.gz CEGNVHNTVKBEFJ-JOCHJYFZSA-N 1 0 380.488 3.849 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)c2ncc(C)n2CCN3CC)c1 ZINC001231622909 1034781207 /nfs/dbraw/zinc/78/12/07/1034781207.db2.gz MICPIAARRIKJRS-UHFFFAOYSA-N 1 0 380.536 3.583 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC[C@@H](C(=O)N4CCCC4)OC3)CC2)c1 ZINC001231623539 1034783540 /nfs/dbraw/zinc/78/35/40/1034783540.db2.gz JIBXSUIUVGRACE-QFIPXVFZSA-N 1 0 398.547 3.635 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC1(c3ccccc3)CCOCC1)CC2 ZINC001208227703 1034815467 /nfs/dbraw/zinc/81/54/67/1034815467.db2.gz VGEHZJWBZFRXSF-XMMPIXPASA-N 1 0 382.548 3.768 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(Cl)cc(OC)cc1OC)CC2 ZINC001231696252 1034843221 /nfs/dbraw/zinc/84/32/21/1034843221.db2.gz MVKTXXZHAOVHBW-NRFANRHFSA-N 1 0 392.927 3.890 20 30 GHEDRO N#CC1(Nc2ncnc3cc([N+](=O)[O-])ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001160100719 1034860430 /nfs/dbraw/zinc/86/04/30/1034860430.db2.gz QKKJJJPYBLWLNR-UHFFFAOYSA-N 1 0 388.431 3.508 20 30 GHEDRO N#CC1(Nc2ncnc3cc(Cl)cnc32)CC[NH+](Cc2ccccc2)CC1 ZINC001160100563 1034860581 /nfs/dbraw/zinc/86/05/81/1034860581.db2.gz IQYVQHQJNDCICG-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cc2)[NH+](CC)CC)cc1 ZINC001160111390 1034865715 /nfs/dbraw/zinc/86/57/15/1034865715.db2.gz PBJNNRMYMGEKDC-JOCHJYFZSA-N 1 0 378.520 3.732 20 30 GHEDRO N#Cc1cc(F)cc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC001208346236 1034866874 /nfs/dbraw/zinc/86/68/74/1034866874.db2.gz QUIFVYIYSFXBBG-UHFFFAOYSA-N 1 0 380.467 3.870 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1C)C2 ZINC001231798943 1034916865 /nfs/dbraw/zinc/91/68/65/1034916865.db2.gz XQFYLAUMUKEFSN-DEOSSOPVSA-N 1 0 390.531 3.985 20 30 GHEDRO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231820625 1034928034 /nfs/dbraw/zinc/92/80/34/1034928034.db2.gz QFILXIOIIMFXNY-PKOBYXMFSA-N 1 0 386.540 3.914 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)cc1 ZINC001231821195 1034929134 /nfs/dbraw/zinc/92/91/34/1034929134.db2.gz SWXZALXMHQQIDK-UHFFFAOYSA-N 1 0 382.552 3.651 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cc1 ZINC001231820653 1034929382 /nfs/dbraw/zinc/92/93/82/1034929382.db2.gz RBKQHNFGXJCKGW-UXHICEINSA-N 1 0 398.551 3.725 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)cc1 ZINC001231822141 1034930340 /nfs/dbraw/zinc/93/03/40/1034930340.db2.gz VYXZKNVXUSGNFY-XMMPIXPASA-N 1 0 389.499 3.878 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(C3CC3)c(C#N)c2)[NH+](C)C)c1 ZINC001208590442 1034947002 /nfs/dbraw/zinc/94/70/02/1034947002.db2.gz UQVSVCBBDCCBRV-OAQYLSRUSA-N 1 0 378.476 3.869 20 30 GHEDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1Cl ZINC001231868841 1034955430 /nfs/dbraw/zinc/95/54/30/1034955430.db2.gz GRZTVQHBRJGWPO-QFIPXVFZSA-N 1 0 395.890 3.855 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCCc4ccc(F)cc4)C3)CC2=O)c1 ZINC001208772859 1035012569 /nfs/dbraw/zinc/01/25/69/1035012569.db2.gz IHZRKTVHJCWPJZ-HSZRJFAPSA-N 1 0 377.463 3.759 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2cnn(CC3CC3)c21 ZINC001208861560 1035064449 /nfs/dbraw/zinc/06/44/49/1035064449.db2.gz MIJVTTBYYAPSNR-QFIPXVFZSA-N 1 0 378.520 3.733 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1-n1cc(C(C)(C)C[NH3+])c2ccccc21 ZINC001160843394 1035077664 /nfs/dbraw/zinc/07/76/64/1035077664.db2.gz YRJAEYRLQGZFEF-UHFFFAOYSA-N 1 0 396.878 3.964 20 30 GHEDRO CC1(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)CCCCC1 ZINC001208897295 1035080557 /nfs/dbraw/zinc/08/05/57/1035080557.db2.gz WUWNHDLOCZNXKU-HSZRJFAPSA-N 1 0 382.552 3.842 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)cc1 ZINC001208927215 1035093063 /nfs/dbraw/zinc/09/30/63/1035093063.db2.gz TYDJKCLQZFPLPN-BJKOFHAPSA-N 1 0 391.515 3.584 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC001208929966 1035093121 /nfs/dbraw/zinc/09/31/21/1035093121.db2.gz WTNVMDMVRXDINP-DLBZAZTESA-N 1 0 397.441 3.878 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(C#N)c(Cl)c4)C3)CC2=O)cc1 ZINC001232113688 1035102760 /nfs/dbraw/zinc/10/27/60/1035102760.db2.gz ZCYOGOKUANOBAK-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)cc1Cl ZINC001232114667 1035103510 /nfs/dbraw/zinc/10/35/10/1035103510.db2.gz QNGSSPYNBWIYRY-UHFFFAOYSA-N 1 0 394.906 3.764 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232224730 1035171242 /nfs/dbraw/zinc/17/12/42/1035171242.db2.gz QYIYWBSGJRZDDZ-SFHVURJKSA-N 1 0 376.460 3.660 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCCN(C(=O)[C@H]([NH3+])c3ccc4ccccc4c3)C2)cc1 ZINC001161324168 1035208490 /nfs/dbraw/zinc/20/84/90/1035208490.db2.gz LHVUSERLUBFBBD-XZOQPEGZSA-N 1 0 385.467 3.781 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161414321 1035226423 /nfs/dbraw/zinc/22/64/23/1035226423.db2.gz UXWSQQSCBIXCDO-UFYCRDLUSA-N 1 0 379.589 3.561 20 30 GHEDRO Cc1ncc(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC001161455629 1035234083 /nfs/dbraw/zinc/23/40/83/1035234083.db2.gz CRRARIPQFYKZHE-GOTSBHOMSA-N 1 0 383.499 3.549 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC([NH3+])(c2cccnc2)CC1 ZINC001161587861 1035265821 /nfs/dbraw/zinc/26/58/21/1035265821.db2.gz QIVUYVQPKLWSEJ-UHFFFAOYSA-N 1 0 381.842 3.748 20 30 GHEDRO C=CCCCCC[N@@H+]1CC[C@@]2(C(=O)OC)CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001209433422 1035273016 /nfs/dbraw/zinc/27/30/16/1035273016.db2.gz WCOLQPRYVCAOSQ-LAUBAEHRSA-N 1 0 380.529 3.607 20 30 GHEDRO C=CCCCCCC[N@@H+]1CCc2cnn(CC3CCOCC3)c2[C@@H]1COC ZINC001209435264 1035273768 /nfs/dbraw/zinc/27/37/68/1035273768.db2.gz HVVBMQWGWFKJIR-NRFANRHFSA-N 1 0 375.557 3.992 20 30 GHEDRO C=CCCCCCC[N@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001209437372 1035273853 /nfs/dbraw/zinc/27/38/53/1035273853.db2.gz JSBGJGOPWGARMR-FGZHOGPDSA-N 1 0 390.593 3.801 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001209439440 1035274317 /nfs/dbraw/zinc/27/43/17/1035274317.db2.gz PVJMHILJTADQIK-QHCPKHFHSA-N 1 0 387.568 3.511 20 30 GHEDRO COc1ccc([C@@H]([NH3+])Cc2nc(-c3ccc(Br)cc3C#N)no2)cc1 ZINC001248166376 1035595806 /nfs/dbraw/zinc/59/58/06/1035595806.db2.gz SQACIEVKDSBXIZ-INIZCTEOSA-N 1 0 399.248 3.622 20 30 GHEDRO COc1c(Cl)ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)c1F ZINC001248180885 1035609210 /nfs/dbraw/zinc/60/92/10/1035609210.db2.gz MBBSZWHLAFUNTK-ZDUSSCGKSA-N 1 0 386.814 3.522 20 30 GHEDRO C[NH+]1CCN(CCNc2ccc(-c3ccc(C4(C#N)CCCC4)cc3)cn2)CC1 ZINC001241560991 1035623561 /nfs/dbraw/zinc/62/35/61/1035623561.db2.gz SCNCPZLWHGWIHD-UHFFFAOYSA-N 1 0 389.547 3.743 20 30 GHEDRO CC[NH+](CC)Cc1ccc(-c2ccc(CN3CCS/C3=N\C#N)cn2)cc1 ZINC001241575380 1035628641 /nfs/dbraw/zinc/62/86/41/1035628641.db2.gz GKVSPZXQGYFQEW-FLFQWRMESA-N 1 0 379.533 3.976 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(-c3cnn(C4CC[NH2+]CC4)c3)nn2)c1 ZINC001241774941 1035692680 /nfs/dbraw/zinc/69/26/80/1035692680.db2.gz OGNWGDHBBVZKAJ-UHFFFAOYSA-N 1 0 398.392 3.822 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3CCCN3C3CC[NH2+]CC3)n2)cc1Cl ZINC001248252122 1035703024 /nfs/dbraw/zinc/70/30/24/1035703024.db2.gz IQIRESLDWGOQNC-INIZCTEOSA-N 1 0 392.290 3.804 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001248473933 1035901494 /nfs/dbraw/zinc/90/14/94/1035901494.db2.gz VECPJLXPDWVLKF-IRLDBZIGSA-N 1 0 380.536 3.889 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@H+](CCOC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001248752760 1036110281 /nfs/dbraw/zinc/11/02/81/1036110281.db2.gz ZJCWXKIEBVIZJU-HXUWFJFHSA-N 1 0 387.524 3.578 20 30 GHEDRO CCOC(=O)c1ccc(OC)c(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001243332716 1036117261 /nfs/dbraw/zinc/11/72/61/1036117261.db2.gz ZRAFVCFAQDSXFL-UHFFFAOYSA-N 1 0 380.444 3.541 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-c3ccn(C)n3)cc1)CC2 ZINC001248764654 1036123207 /nfs/dbraw/zinc/12/32/07/1036123207.db2.gz BSKPCNVFPFPWRM-QHCPKHFHSA-N 1 0 378.520 3.620 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(-n4nccn4)cc3)CC2)cc1Cl ZINC001248771813 1036127736 /nfs/dbraw/zinc/12/77/36/1036127736.db2.gz VUHZGPVOKHTOJW-UHFFFAOYSA-N 1 0 393.878 3.836 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-c2cccc(N3CC[NH+](C)CC3)c2)n1 ZINC001243669681 1036244941 /nfs/dbraw/zinc/24/49/41/1036244941.db2.gz PLWDRJJLGQIRIU-JKGSRKHOSA-N 1 0 398.576 3.690 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3ncc(F)c(Oc4ccccc4C#N)n3)c2)CC1 ZINC001243670097 1036245844 /nfs/dbraw/zinc/24/58/44/1036245844.db2.gz ZCGJUYFAMYMKRN-UHFFFAOYSA-N 1 0 389.434 3.698 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1cc(OC2CCC2)cc(F)c1C#N ZINC001244289830 1036464869 /nfs/dbraw/zinc/46/48/69/1036464869.db2.gz GYGQGBDXUVAQKE-UHFFFAOYSA-N 1 0 381.451 3.714 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC001245809983 1037009153 /nfs/dbraw/zinc/00/91/53/1037009153.db2.gz GXZDYANUCIEEBA-LRDDRELGSA-N 1 0 384.471 3.982 20 30 GHEDRO N#CC1(c2ccccc2-c2cc(OC(F)(F)F)ccc2CO)CC[NH2+]CC1 ZINC001245866503 1037035657 /nfs/dbraw/zinc/03/56/57/1037035657.db2.gz GSZHHWLFHAVMPW-UHFFFAOYSA-N 1 0 376.378 3.889 20 30 GHEDRO CCCCCCCCCCC[NH+]1CCC2(CN(S(=O)(=O)N(C)C)C2)CC1 ZINC001278421006 1037059856 /nfs/dbraw/zinc/05/98/56/1037059856.db2.gz ZJHYIIRLATZMPZ-UHFFFAOYSA-N 1 0 387.634 3.721 20 30 GHEDRO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001245970759 1037094174 /nfs/dbraw/zinc/09/41/74/1037094174.db2.gz IHHDMFXMXUVJTR-LSDHHAIUSA-N 1 0 396.306 3.605 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC(C)(C[NH3+])C1 ZINC001246037259 1037153154 /nfs/dbraw/zinc/15/31/54/1037153154.db2.gz UOZSZRIIRAGMPO-OAQYLSRUSA-N 1 0 386.621 3.582 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCN[C@H](c4ccccc4)C3)CC2)C1 ZINC001246527213 1037461752 /nfs/dbraw/zinc/46/17/52/1037461752.db2.gz SROIHFMXSOSIMM-VXKWHMMOSA-N 1 0 397.563 3.980 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246764028 1037607042 /nfs/dbraw/zinc/60/70/42/1037607042.db2.gz DEBKBJQXYUFVQV-BAMDZGJYSA-N 1 0 388.527 3.753 20 30 GHEDRO Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246889473 1037706582 /nfs/dbraw/zinc/70/65/82/1037706582.db2.gz FALAOYMGVQJHAW-FYYLOGMGSA-N 1 0 378.495 3.621 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)Nc3c(F)cccc3F)CC2)c1 ZINC001247120701 1037932667 /nfs/dbraw/zinc/93/26/67/1037932667.db2.gz OVJNIHNBORNXBT-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(OCc4ccccc4)nc3)C2)C1=O ZINC001232357466 1038137249 /nfs/dbraw/zinc/13/72/49/1038137249.db2.gz OUKYUHVBNVRVOO-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(OCc3ccccc3)no1)C2 ZINC001232447129 1038227785 /nfs/dbraw/zinc/22/77/85/1038227785.db2.gz MSDIMKWGNAMCSF-FYYLOGMGSA-N 1 0 398.503 3.827 20 30 GHEDRO C=CCCNC(=S)Nc1cc(C)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001247601358 1038269819 /nfs/dbraw/zinc/26/98/19/1038269819.db2.gz IGFQXEQTHDXHHQ-UHFFFAOYSA-N 1 0 397.592 3.966 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN2Cc2cc(Br)c(C)s2)C1=O ZINC001277680411 1038320368 /nfs/dbraw/zinc/32/03/68/1038320368.db2.gz YLDQEPPXSDUZDD-QGZVFWFLSA-N 1 0 383.355 3.962 20 30 GHEDRO Cc1cc(-c2noc([C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)n2)ccc1C#N ZINC001247846186 1038421336 /nfs/dbraw/zinc/42/13/36/1038421336.db2.gz BJNDKTUKXGJBAY-IBGZPJMESA-N 1 0 386.455 3.953 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc(C3=NO[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001247863601 1038434356 /nfs/dbraw/zinc/43/43/56/1038434356.db2.gz CRXPQZYKMNULLM-OAQYLSRUSA-N 1 0 384.480 3.942 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc([C@H]3NC(=O)CC34C[NH2+]C4)n2)cc1 ZINC001247868508 1038437870 /nfs/dbraw/zinc/43/78/70/1038437870.db2.gz KJZAXTVQOULWHK-LJQANCHMSA-N 1 0 398.507 3.627 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001248024765 1038541862 /nfs/dbraw/zinc/54/18/62/1038541862.db2.gz BCUMJFZIYYTVFY-DEOSSOPVSA-N 1 0 375.516 3.744 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)s1 ZINC001232842802 1038593588 /nfs/dbraw/zinc/59/35/88/1038593588.db2.gz NOFVYWPBELDKHW-QFIPXVFZSA-N 1 0 379.529 3.677 20 30 GHEDRO COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@H+](Cc1ccc(C#N)s1)CC2 ZINC001232842392 1038593851 /nfs/dbraw/zinc/59/38/51/1038593851.db2.gz CDMPMFQJOVDUSY-UHFFFAOYSA-N 1 0 393.468 3.662 20 30 GHEDRO COCCN(Cc1cc(F)ccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232894044 1038684251 /nfs/dbraw/zinc/68/42/51/1038684251.db2.gz OGCAXWHWGZJSGI-IBGZPJMESA-N 1 0 391.487 3.545 20 30 GHEDRO N#Cc1cc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)ccc1Br ZINC001232898048 1038692949 /nfs/dbraw/zinc/69/29/49/1038692949.db2.gz YHPRWXNPQOHDPM-ZWKOTPCHSA-N 1 0 380.305 3.719 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)n1 ZINC001232924730 1038713693 /nfs/dbraw/zinc/71/36/93/1038713693.db2.gz BPPRILHGQHOLCR-UHFFFAOYSA-N 1 0 386.499 3.634 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001233079337 1038844850 /nfs/dbraw/zinc/84/48/50/1038844850.db2.gz BVKUXEYDLUKCBV-JTHBVZDNSA-N 1 0 377.488 3.712 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1ncccc1F)C2 ZINC001233081374 1038853043 /nfs/dbraw/zinc/85/30/43/1038853043.db2.gz WMFBPSYDZQQKDZ-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO CSc1nc(Cl)cc(N2CCC[N@H+](Cc3ccc(C#N)cc3C)CC2)n1 ZINC001233083626 1038855823 /nfs/dbraw/zinc/85/58/23/1038855823.db2.gz SUNYXSFEKJXHKQ-UHFFFAOYSA-N 1 0 387.940 3.744 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001252125362 1038870333 /nfs/dbraw/zinc/87/03/33/1038870333.db2.gz CEBBOQQDBFEHMC-BHDDXSALSA-N 1 0 387.568 3.758 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001252127570 1038877916 /nfs/dbraw/zinc/87/79/16/1038877916.db2.gz BXJWTODYVASZIX-QYZOEREBSA-N 1 0 393.597 3.649 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001252129303 1038883498 /nfs/dbraw/zinc/88/34/98/1038883498.db2.gz YZRIMYSURAQDTG-SFTDATJTSA-N 1 0 387.568 3.631 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(C)c(Br)c(C)c3)C2)C1=O ZINC001277762000 1038883731 /nfs/dbraw/zinc/88/37/31/1038883731.db2.gz QJUMTBDAPDPPJD-IBGZPJMESA-N 1 0 377.326 3.676 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1CCN(C(=O)c2ccccn2)CC1 ZINC001252139790 1038889417 /nfs/dbraw/zinc/88/94/17/1038889417.db2.gz SHJPAOZTGMJUKS-HXUWFJFHSA-N 1 0 375.557 3.635 20 30 GHEDRO C[C@](O)(C[NH+]1CCCCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252324838 1038942420 /nfs/dbraw/zinc/94/24/20/1038942420.db2.gz OGQJLOMLKLCLDJ-IBGZPJMESA-N 1 0 397.441 3.923 20 30 GHEDRO C[C@](O)(C[NH2+]CCCC1CCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339729 1038946365 /nfs/dbraw/zinc/94/63/65/1038946365.db2.gz JMEHREXJCHIULT-IBGZPJMESA-N 1 0 397.441 3.827 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(C)cc(F)cc3Cl)C2)C1=O ZINC001277777283 1038965902 /nfs/dbraw/zinc/96/59/02/1038965902.db2.gz FSBNPVHUVLACJI-HXUWFJFHSA-N 1 0 378.875 3.705 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(C)cc(F)cc3Cl)C2)C1=O ZINC001277777281 1038966031 /nfs/dbraw/zinc/96/60/31/1038966031.db2.gz FSBNPVHUVLACJI-FQEVSTJZSA-N 1 0 378.875 3.705 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc12 ZINC001252547357 1039027720 /nfs/dbraw/zinc/02/77/20/1039027720.db2.gz FWRDVGSTWDNJGF-QFIPXVFZSA-N 1 0 386.536 3.708 20 30 GHEDRO C=C[C@](C)(O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001252552894 1039030985 /nfs/dbraw/zinc/03/09/85/1039030985.db2.gz NNWCPNLFXHZTDB-ILWGZMRPSA-N 1 0 382.529 3.508 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001252599227 1039042565 /nfs/dbraw/zinc/04/25/65/1039042565.db2.gz YVUQXHQVDIVNIV-PZJWPPBQSA-N 1 0 396.575 3.893 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC001462331972 1070178085 /nfs/dbraw/zinc/17/80/85/1070178085.db2.gz JHOBHCRNJPLGBV-XLIONFOSSA-N 1 0 380.488 3.967 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001252644362 1039062571 /nfs/dbraw/zinc/06/25/71/1039062571.db2.gz HSSSMXIJSXHNFB-PXNSSMCTSA-N 1 0 378.476 3.764 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(O)c1Cl)C2 ZINC001233399003 1039237265 /nfs/dbraw/zinc/23/72/65/1039237265.db2.gz HHEYYFZAMKXWNE-PXNSSMCTSA-N 1 0 381.900 3.628 20 30 GHEDRO N#Cc1c(Cl)c(Cl)ccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252939253 1039283231 /nfs/dbraw/zinc/28/32/31/1039283231.db2.gz QBNVCJOCNJUXQC-IBGZPJMESA-N 1 0 376.287 3.914 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2OCCN(C(C)=O)[C@@H]2CC1 ZINC001252979640 1039309066 /nfs/dbraw/zinc/30/90/66/1039309066.db2.gz LXWBRAFYIAJUFO-BHDDXSALSA-N 1 0 382.589 3.590 20 30 GHEDRO CCCCCCCCCC[C@H](O)CN1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252983666 1039310813 /nfs/dbraw/zinc/31/08/13/1039310813.db2.gz YHDXUVLOAOFCIV-QFIPXVFZSA-N 1 0 395.632 3.540 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@H+](CCOC)C1CCN(C(C)=O)CC1 ZINC001252986039 1039314013 /nfs/dbraw/zinc/31/40/13/1039314013.db2.gz RRPZRRZQBGJILU-QFIPXVFZSA-N 1 0 384.605 3.837 20 30 GHEDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001233452224 1039334992 /nfs/dbraw/zinc/33/49/92/1039334992.db2.gz OJGHLADYBZXZDG-CHWSQXEVSA-N 1 0 375.284 3.638 20 30 GHEDRO COCCc1ccc(OC[C@H](O)C[N@H+](CCC#N)C2CCCCCCC2)cc1 ZINC001253050526 1039379032 /nfs/dbraw/zinc/37/90/32/1039379032.db2.gz YQYNTJYXMWFMLZ-JOCHJYFZSA-N 1 0 388.552 3.944 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C[C@](C)(O)c3ccccc3)cc(C#N)c21 ZINC001253118803 1039435465 /nfs/dbraw/zinc/43/54/65/1039435465.db2.gz REXJGPFLZIDEHQ-HJPURHCSSA-N 1 0 375.472 3.601 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001253238868 1039496194 /nfs/dbraw/zinc/49/61/94/1039496194.db2.gz IITVYYDNSOVNTN-RBBKRZOGSA-N 1 0 398.551 3.676 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001253242161 1039498252 /nfs/dbraw/zinc/49/82/52/1039498252.db2.gz HSUJZKOLMIDVKF-MOPGFXCFSA-N 1 0 376.516 3.907 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001253243568 1039500356 /nfs/dbraw/zinc/50/03/56/1039500356.db2.gz XJCWUXLETQJZBH-KNQAVFIVSA-N 1 0 396.572 3.586 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC001253250297 1039502909 /nfs/dbraw/zinc/50/29/09/1039502909.db2.gz WUQPCPXEYILOKH-YADHBBJMSA-N 1 0 378.532 3.504 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(CC(=O)c2cccs2)CC1 ZINC001253255742 1039505934 /nfs/dbraw/zinc/50/59/34/1039505934.db2.gz LQPSBBYSCIOTIO-IBGZPJMESA-N 1 0 378.582 3.872 20 30 GHEDRO COC(=O)C[C@H]1CCc2cc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc21 ZINC001233780991 1039613471 /nfs/dbraw/zinc/61/34/71/1039613471.db2.gz QKOXFWKANNEOIS-GCJKJVERSA-N 1 0 390.483 3.804 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587350 1039710932 /nfs/dbraw/zinc/71/09/32/1039710932.db2.gz KUKDJRIOMZGJTM-GOSISDBHSA-N 1 0 378.488 3.574 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC1CC(O)C1 ZINC001253615074 1039725653 /nfs/dbraw/zinc/72/56/53/1039725653.db2.gz ZWCMUANILRKPHQ-LZBANZJXSA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCC[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914761 1039897922 /nfs/dbraw/zinc/89/79/22/1039897922.db2.gz GVPDYTVCQLLBAP-PMACEKPBSA-N 1 0 380.483 3.847 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1sc(Br)cc1C)CC2 ZINC001277840444 1039929716 /nfs/dbraw/zinc/92/97/16/1039929716.db2.gz FXZZYNRWJKOACI-CYBMUJFWSA-N 1 0 383.355 3.723 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3sc(Br)cc3C)CC2)C1=O ZINC001277841120 1039933904 /nfs/dbraw/zinc/93/39/04/1039933904.db2.gz PZVQOBDLKDHPGP-SFHVURJKSA-N 1 0 395.366 3.657 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3sc(Br)cc3C)CC2)C1=O ZINC001277841136 1039935384 /nfs/dbraw/zinc/93/53/84/1039935384.db2.gz QMAGOCZLLQJHJX-UHFFFAOYSA-N 1 0 383.355 3.820 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@H]4C[C@@]5(CO4)CCC[NH2+]C5)nn3)cc2)cc1 ZINC001254067395 1039981348 /nfs/dbraw/zinc/98/13/48/1039981348.db2.gz ICGBITBDLILROB-NOZRDPDXSA-N 1 0 398.510 3.752 20 30 GHEDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccnc(Br)c2C#N)C1 ZINC001234426964 1040026543 /nfs/dbraw/zinc/02/65/43/1040026543.db2.gz MQGCSOYBHQIQJK-KGLIPLIRSA-N 1 0 387.281 3.715 20 30 GHEDRO CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCC(C#N)(c3ccc(F)cc3)CC1)C2 ZINC001254346592 1040180049 /nfs/dbraw/zinc/18/00/49/1040180049.db2.gz RFVQUUAHMNKMKL-DQBMGFJSSA-N 1 0 393.506 3.858 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(N(c2ncccn2)C2CC[NH2+]CC2)CC1 ZINC001254355259 1040188219 /nfs/dbraw/zinc/18/82/19/1040188219.db2.gz BWIMFDNIPRDDQO-UHFFFAOYSA-N 1 0 379.483 3.578 20 30 GHEDRO C#C[C@H](C)Oc1cc(OC)cc2c1-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC001234817381 1040347494 /nfs/dbraw/zinc/34/74/94/1040347494.db2.gz BVRPRMLMAFNULK-KSSFIOAISA-O 1 0 394.491 3.707 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C(OCC)OCC)cc3)C2)C1=O ZINC001234875249 1040389278 /nfs/dbraw/zinc/38/92/78/1040389278.db2.gz MIXGYOUZVKMLEN-HSZRJFAPSA-N 1 0 386.536 3.759 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)C2 ZINC001254625515 1040399996 /nfs/dbraw/zinc/39/99/96/1040399996.db2.gz HSQFYYKFXKJKFR-GOTSBHOMSA-N 1 0 388.527 3.868 20 30 GHEDRO CCOC(OCC)c1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cc1 ZINC001234901295 1040414191 /nfs/dbraw/zinc/41/41/91/1040414191.db2.gz WHVWDKPDJAVZHT-UHFFFAOYSA-N 1 0 379.504 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)(Cc2ccccn2)CC1 ZINC001254649213 1040417953 /nfs/dbraw/zinc/41/79/53/1040417953.db2.gz QYWJJQCDIYCYOL-OALUTQOASA-N 1 0 398.551 3.923 20 30 GHEDRO Cn1cnc2c1cc(C1CC[NH+]([C@H]3CC[C@H](C#N)C3)CC1)nc2-c1cccnc1 ZINC001254659278 1040422947 /nfs/dbraw/zinc/42/29/47/1040422947.db2.gz NFGOOUIWQNTVRI-LPHOPBHVSA-N 1 0 386.503 3.902 20 30 GHEDRO N#C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC001254662320 1040425564 /nfs/dbraw/zinc/42/55/64/1040425564.db2.gz FHZSFHFWRUNYJR-QUCCMNQESA-N 1 0 389.499 3.961 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)C1 ZINC001254663886 1040425598 /nfs/dbraw/zinc/42/55/98/1040425598.db2.gz SNIVCBSHPLQSLL-GGPKGHCWSA-N 1 0 377.532 3.868 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150438 1040865468 /nfs/dbraw/zinc/86/54/68/1040865468.db2.gz UXRFCGLJAWXHCE-CZYKHXBRSA-N 1 0 383.536 3.559 20 30 GHEDRO CC[C@H](CC#N)[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255169943 1040884002 /nfs/dbraw/zinc/88/40/02/1040884002.db2.gz MDOKBNXHQOEHAT-AOHZBQACSA-N 1 0 388.515 3.592 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001255215390 1040910458 /nfs/dbraw/zinc/91/04/58/1040910458.db2.gz WRJUAZMQALVYTG-NMLBUPMWSA-N 1 0 383.492 3.553 20 30 GHEDRO CSc1ccc(CNC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)cc1C#N ZINC001255376227 1040968760 /nfs/dbraw/zinc/96/87/60/1040968760.db2.gz LWSKWCVRMJPZIT-UHFFFAOYSA-N 1 0 386.565 3.830 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001235518968 1040973751 /nfs/dbraw/zinc/97/37/51/1040973751.db2.gz PVEKIXGXPPGZOQ-GGAORHGYSA-N 1 0 395.478 3.737 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1ccccc1-c1ccncc1 ZINC001235614802 1041033263 /nfs/dbraw/zinc/03/32/63/1041033263.db2.gz HDDIIJWIDVZVGF-JOCHJYFZSA-N 1 0 389.503 3.662 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001255697953 1041221777 /nfs/dbraw/zinc/22/17/77/1041221777.db2.gz UXRWKZZGQXIGSI-WMZOPIPTSA-N 1 0 379.426 3.874 20 30 GHEDRO C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001255880999 1041372441 /nfs/dbraw/zinc/37/24/41/1041372441.db2.gz YNVNWTOBTMGUTK-INIZCTEOSA-N 1 0 380.467 3.914 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC001235968112 1041471889 /nfs/dbraw/zinc/47/18/89/1041471889.db2.gz UWLROEVZVHUZEC-UHFFFAOYSA-N 1 0 393.535 3.609 20 30 GHEDRO Cc1ccc(-c2cnn(CCC[NH+](C)C)c2)cc1NC(=O)c1cccc(C#N)c1 ZINC001236149463 1041571512 /nfs/dbraw/zinc/57/15/12/1041571512.db2.gz CRFMCRMQAIDLGC-UHFFFAOYSA-N 1 0 387.487 3.934 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001236290116 1041660958 /nfs/dbraw/zinc/66/09/58/1041660958.db2.gz SZPZFRSSLCMSPQ-KXBFYZLASA-N 1 0 384.277 3.517 20 30 GHEDRO N#CCCN(C(=O)c1ccc(-c2cccc3c2CC[NH2+]C3)nc1)c1ccccc1 ZINC001236348137 1041678071 /nfs/dbraw/zinc/67/80/71/1041678071.db2.gz PQTNUHKHDSGHAJ-UHFFFAOYSA-N 1 0 382.467 3.955 20 30 GHEDRO CN(CCC#N)c1ccc(CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236406617 1041703392 /nfs/dbraw/zinc/70/33/92/1041703392.db2.gz BJKOMUMGIOJSHA-UHFFFAOYSA-N 1 0 380.511 3.930 20 30 GHEDRO CC(C)C[NH2+]Cc1ccc(-c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)cc1 ZINC001236430200 1041708959 /nfs/dbraw/zinc/70/89/59/1041708959.db2.gz ZRYMFJNBEDTICX-SFHVURJKSA-N 1 0 380.492 3.838 20 30 GHEDRO Cc1cc(F)cc(CN(Cc2ccc(N(C)C)c(C#N)c2F)C2CC[NH2+]CC2)c1 ZINC001236481951 1041734302 /nfs/dbraw/zinc/73/43/02/1041734302.db2.gz CBEITKVSLJYHEM-UHFFFAOYSA-N 1 0 398.501 3.965 20 30 GHEDRO COc1ccc(CN(Cc2c(F)cc(C#N)cc2F)C2CC[NH2+]CC2)cc1F ZINC001236517010 1041749928 /nfs/dbraw/zinc/74/99/28/1041749928.db2.gz HCONYYMZIWEBQC-UHFFFAOYSA-N 1 0 389.421 3.738 20 30 GHEDRO N#Cc1cc(CN(Cc2c(F)cccc2F)C2CC[NH2+]CC2)c(F)cc1F ZINC001236515883 1041750061 /nfs/dbraw/zinc/75/00/61/1041750061.db2.gz KYOYGPPUDOCWSY-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236796757 1041900892 /nfs/dbraw/zinc/90/08/92/1041900892.db2.gz YTQNOIQJSIUHPG-PMACEKPBSA-N 1 0 381.900 3.628 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH+]3CCC(F)CC3)CC2)cc1Br ZINC001236862421 1041932377 /nfs/dbraw/zinc/93/23/77/1041932377.db2.gz SGAPRMGQWYLJNA-UHFFFAOYSA-N 1 0 380.305 3.719 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237466186 1042219465 /nfs/dbraw/zinc/21/94/65/1042219465.db2.gz KRRJOGPMQNQUTR-QFIPXVFZSA-N 1 0 382.508 3.929 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C[C@H]1NC(=O)OC(C)(C)C ZINC001237467301 1042220343 /nfs/dbraw/zinc/22/03/43/1042220343.db2.gz SRKLLNZJTUACCX-DNVCBOLYSA-N 1 0 382.508 3.785 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3cn(C)c4ccc(C#N)cc34)CC2)[C@@H]1c1ccccc1 ZINC001237470201 1042221773 /nfs/dbraw/zinc/22/17/73/1042221773.db2.gz UKFZDARHKKTLKJ-QHCPKHFHSA-N 1 0 398.510 3.845 20 30 GHEDRO CCOC(=O)c1coc(C2CC[NH+](Cc3cn(C)c4ccc(C#N)cc34)CC2)n1 ZINC001237473275 1042223593 /nfs/dbraw/zinc/22/35/93/1042223593.db2.gz VIIHQIYJFUMZSJ-UHFFFAOYSA-N 1 0 392.459 3.594 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)c2cc(C#N)ccc21 ZINC001237472636 1042223840 /nfs/dbraw/zinc/22/38/40/1042223840.db2.gz KWCACZVKRXIQSZ-DEOSSOPVSA-N 1 0 385.467 3.891 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237472678 1042224010 /nfs/dbraw/zinc/22/40/10/1042224010.db2.gz RBWFMYYQDUAFDT-QFIPXVFZSA-N 1 0 382.508 3.787 20 30 GHEDRO COc1c(C)cccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001237509850 1042243204 /nfs/dbraw/zinc/24/32/04/1042243204.db2.gz DGFJHSKNIUTYJT-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO Cn1c(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC001462598118 1070403563 /nfs/dbraw/zinc/40/35/63/1070403563.db2.gz WFBBRZMSCCJUFI-INIZCTEOSA-N 1 0 380.883 3.570 20 30 GHEDRO N#Cc1ccc2nc(CN3CCC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cn2c1 ZINC001237618988 1042286390 /nfs/dbraw/zinc/28/63/90/1042286390.db2.gz VVLODLJWGIFSFX-XMMPIXPASA-N 1 0 385.515 3.694 20 30 GHEDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001237750991 1042353713 /nfs/dbraw/zinc/35/37/13/1042353713.db2.gz QCWCQVMVWDYOOX-UHFFFAOYSA-N 1 0 383.927 3.543 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1 ZINC001237755477 1042355706 /nfs/dbraw/zinc/35/57/06/1042355706.db2.gz PHLUOGOXCNCLIV-UHFFFAOYSA-N 1 0 385.817 3.588 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c1 ZINC001237757255 1042356097 /nfs/dbraw/zinc/35/60/97/1042356097.db2.gz PVNUFDBLWQVKBU-UHFFFAOYSA-N 1 0 379.891 3.666 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238014261 1042459949 /nfs/dbraw/zinc/45/99/49/1042459949.db2.gz OIDWEGQNVXINST-UGKGYDQZSA-N 1 0 381.476 3.595 20 30 GHEDRO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2ccc(C#N)cc2Cl)CC3)n1 ZINC001238084911 1042486494 /nfs/dbraw/zinc/48/64/94/1042486494.db2.gz XHNALGUSNJXIPC-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001238085274 1042486664 /nfs/dbraw/zinc/48/66/64/1042486664.db2.gz ZLEYQYRFAVCEQN-QGZVFWFLSA-N 1 0 393.915 3.669 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(Cl)c(C#N)c1)C2 ZINC001238190129 1042514224 /nfs/dbraw/zinc/51/42/24/1042514224.db2.gz AVVRNAZKHLBQQY-JLVBRIDZSA-N 1 0 375.900 3.947 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccc(Cl)c(C#N)c3)C[C@@H]12 ZINC001238191359 1042514981 /nfs/dbraw/zinc/51/49/81/1042514981.db2.gz RSKQGGZTGXVLMF-PKTZIBPZSA-N 1 0 393.918 3.976 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCCN3C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001238410429 1042587295 /nfs/dbraw/zinc/58/72/95/1042587295.db2.gz QCTUOHRBUQKMTB-UHFFFAOYSA-N 1 0 385.508 3.932 20 30 GHEDRO COc1cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(-c2ccccc2)cn1 ZINC001238606894 1042656515 /nfs/dbraw/zinc/65/65/15/1042656515.db2.gz HSMINHCIKSAUCN-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)ccc1C#N ZINC001238760680 1042717711 /nfs/dbraw/zinc/71/77/11/1042717711.db2.gz NMTGCMIOXOOGDU-VWNXMTODSA-N 1 0 391.515 3.966 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)ccc1C#N ZINC001238760751 1042717731 /nfs/dbraw/zinc/71/77/31/1042717731.db2.gz PMNPTQDCMIIJLJ-QHCPKHFHSA-N 1 0 399.535 3.723 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)ccc1C#N ZINC001238762468 1042718401 /nfs/dbraw/zinc/71/84/01/1042718401.db2.gz KSSZTXPSYQWYFK-HSZRJFAPSA-N 1 0 391.515 3.856 20 30 GHEDRO CCc1cc(C[N@H+](CCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238770200 1042721103 /nfs/dbraw/zinc/72/11/03/1042721103.db2.gz YYDROWFZQOEFSS-FQEVSTJZSA-N 1 0 387.524 3.578 20 30 GHEDRO CCc1cc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)ccc1C#N ZINC001238775982 1042723576 /nfs/dbraw/zinc/72/35/76/1042723576.db2.gz QDFOUIXPIRFIEB-TUNNFDKTSA-N 1 0 397.544 3.773 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001239000885 1042757495 /nfs/dbraw/zinc/75/74/95/1042757495.db2.gz OZJORRZMGDHHEE-UHFFFAOYSA-N 1 0 388.618 3.692 20 30 GHEDRO O=C(Nc1cc(F)cc(C(F)(F)F)c1)N[C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001239223234 1042789014 /nfs/dbraw/zinc/78/90/14/1042789014.db2.gz NCZUDJAENCJLDI-GFCCVEGCSA-N 1 0 387.299 3.897 20 30 GHEDRO O=C(NC[C@@H]1CC[NH2+]C[C@@H]1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239226253 1042790280 /nfs/dbraw/zinc/79/02/80/1042790280.db2.gz AAAZHTJAKWUBNB-UFBFGSQYSA-N 1 0 387.299 3.793 20 30 GHEDRO Cc1ccc(NC(=S)Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1Cl ZINC001239344793 1042810957 /nfs/dbraw/zinc/81/09/57/1042810957.db2.gz VTHUMGRXVHPIPL-UHFFFAOYSA-N 1 0 385.924 3.739 20 30 GHEDRO F[C@@H]1C[NH2+]CC[C@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239355594 1042812882 /nfs/dbraw/zinc/81/28/82/1042812882.db2.gz HJRPBVZJUXYKPJ-GHMZBOCLSA-N 1 0 389.340 3.711 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCCC[C@]23CCC[NH2+]C3)cc1C(F)(F)F ZINC001239427736 1042827128 /nfs/dbraw/zinc/82/71/28/1042827128.db2.gz ICJYPSFTGVKPFZ-QGZVFWFLSA-N 1 0 382.455 3.882 20 30 GHEDRO COC(=O)c1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(C(F)(F)F)cc1OC ZINC001240355734 1042922696 /nfs/dbraw/zinc/92/26/96/1042922696.db2.gz KSFGJBOKJNZONE-UHFFFAOYSA-N 1 0 390.361 3.726 20 30 GHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240366675 1042923606 /nfs/dbraw/zinc/92/36/06/1042923606.db2.gz RXFXRJUAAMXDIJ-KRWDZBQOSA-N 1 0 388.471 3.965 20 30 GHEDRO CN1CC[NH+](Cc2ccc(-c3ccc(C4(C#N)CCOCC4)cc3)cc2)CC1 ZINC001240402482 1042926658 /nfs/dbraw/zinc/92/66/58/1042926658.db2.gz NBTUBOCQWJVRPI-UHFFFAOYSA-N 1 0 375.516 3.673 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4cc(C(F)(F)F)c(C#N)cn4)cc3)CC2)CC1 ZINC001240571768 1042941634 /nfs/dbraw/zinc/94/16/34/1042941634.db2.gz ACPGYRAPLNMTFR-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1-c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001240815041 1042955797 /nfs/dbraw/zinc/95/57/97/1042955797.db2.gz OUPCLXOHAZWDQN-UHFFFAOYSA-N 1 0 375.548 3.551 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(CC(C)C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001291777348 1043459802 /nfs/dbraw/zinc/45/98/02/1043459802.db2.gz BRGHYBWSQZQECJ-SFHVURJKSA-N 1 0 382.556 3.715 20 30 GHEDRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001292322702 1043683108 /nfs/dbraw/zinc/68/31/08/1043683108.db2.gz KBMXMRUCKLZNQK-JPYJTQIMSA-N 1 0 392.551 3.927 20 30 GHEDRO N#CC1CCC([NH2+]C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256958671 1043773677 /nfs/dbraw/zinc/77/36/77/1043773677.db2.gz LSWJXIZKKLXOGZ-VZYOYLOZSA-N 1 0 377.532 3.722 20 30 GHEDRO N#CC1CCC([NH2+]C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001256962717 1043774181 /nfs/dbraw/zinc/77/41/81/1043774181.db2.gz UWWCTUCLDOZKNM-UHFFFAOYSA-N 1 0 379.426 3.982 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256969404 1043776682 /nfs/dbraw/zinc/77/66/82/1043776682.db2.gz HMISCWZUTGOTKH-FUUBYGMNSA-N 1 0 375.435 3.846 20 30 GHEDRO CC(C)(C)OC(=O)CC[NH+](CCC(=O)OC(C)(C)C)C1CCC(C#N)CC1 ZINC001256972177 1043778374 /nfs/dbraw/zinc/77/83/74/1043778374.db2.gz SSJWWTBMCARMLQ-UHFFFAOYSA-N 1 0 380.529 3.834 20 30 GHEDRO COCCN1CC[C@@]2(CCC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)C1=O ZINC001257018076 1043802208 /nfs/dbraw/zinc/80/22/08/1043802208.db2.gz GURPBBYEYKHEKH-UBVWURDFSA-N 1 0 395.547 3.545 20 30 GHEDRO CC(C)[C@H]1C[C@@H]([NH2+]CCOc2ccccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001257174843 1043918319 /nfs/dbraw/zinc/91/83/19/1043918319.db2.gz AVWVGRCZYWBGTN-RBUKOAKNSA-N 1 0 387.524 3.951 20 30 GHEDRO C#CCCN1CCC[C@H]([NH2+][C@@H](C)CCc2ccc3cc(OC)ccc3c2)C1=O ZINC001257279479 1043953999 /nfs/dbraw/zinc/95/39/99/1043953999.db2.gz NLLHMXHEIPYZRF-MBSDFSHPSA-N 1 0 378.516 3.773 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(C)C ZINC001292957178 1043964356 /nfs/dbraw/zinc/96/43/56/1043964356.db2.gz AETOSNNBKCFRQU-INIZCTEOSA-N 1 0 394.441 3.782 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(ccc(Br)c3F)[nH]2)CC1 ZINC001293034382 1043994340 /nfs/dbraw/zinc/99/43/40/1043994340.db2.gz YYRPTLYILQIVRE-UHFFFAOYSA-N 1 0 394.288 3.840 20 30 GHEDRO CN(C)c1cc[nH+]c(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC001462783849 1070542797 /nfs/dbraw/zinc/54/27/97/1070542797.db2.gz KEZFMVLAFYBOKK-UHFFFAOYSA-N 1 0 386.455 3.528 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc(Br)cc2)C1 ZINC001257570080 1044056408 /nfs/dbraw/zinc/05/64/08/1044056408.db2.gz HNSHOHCPJOCOFJ-PBHICJAKSA-N 1 0 381.314 3.757 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCC(CC#N)CC1 ZINC001293374564 1044141759 /nfs/dbraw/zinc/14/17/59/1044141759.db2.gz WLGVBSGLZYZBSU-HXUWFJFHSA-N 1 0 386.588 3.871 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3OC[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)C[C@H](C1)C2 ZINC001257887139 1044244839 /nfs/dbraw/zinc/24/48/39/1044244839.db2.gz VMRVBOXLZBUHLQ-BDPVURQISA-N 1 0 390.568 3.983 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3CC[C@H]4[C@H](C3)OCCN4C(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC001257891652 1044247588 /nfs/dbraw/zinc/24/75/88/1044247588.db2.gz LWWHAGZVWWWNJE-VYFYYAICSA-N 1 0 376.541 3.832 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@H](C(=O)Nc4cccnc4)C[C@H]4OCC[C@H]43)C[C@H](C1)C2 ZINC001257891237 1044247848 /nfs/dbraw/zinc/24/78/48/1044247848.db2.gz GDOMCGJZRAQOBK-JIQGNESCSA-N 1 0 381.520 3.634 20 30 GHEDRO CCCCCCCCC[C@@H](C)[NH2+]Cc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001258231488 1044479259 /nfs/dbraw/zinc/47/92/59/1044479259.db2.gz PQQKWSBJWAFDTG-LJQANCHMSA-N 1 0 395.613 3.935 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](C3CCN(c4ccccc4Cl)CC3)C2)C1=O ZINC001258543590 1044619568 /nfs/dbraw/zinc/61/95/68/1044619568.db2.gz WPLVYFHFZQPVIB-QFIPXVFZSA-N 1 0 387.955 3.809 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@H]2C)C1 ZINC001294461043 1044645759 /nfs/dbraw/zinc/64/57/59/1044645759.db2.gz PYOXHYFAWHKZOF-SLYNCCJLSA-N 1 0 392.551 3.641 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCCn2nnc(CNC(C)=O)c2C1 ZINC001258713932 1044730332 /nfs/dbraw/zinc/73/03/32/1044730332.db2.gz DCZSVGRQCVSCCF-LJQANCHMSA-N 1 0 377.577 3.895 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001258714474 1044732526 /nfs/dbraw/zinc/73/25/26/1044732526.db2.gz PADQGZARYUNHNI-DXBBTUNJSA-N 1 0 394.600 3.852 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001294678975 1044761274 /nfs/dbraw/zinc/76/12/74/1044761274.db2.gz SGTWXDHOAMXPAY-FXAWDEMLSA-N 1 0 392.551 3.783 20 30 GHEDRO CCC[C@@H]1CN(C(=O)c2ccc(C=NOC)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001295599797 1045064766 /nfs/dbraw/zinc/06/47/66/1045064766.db2.gz APZTYLBICNIOOQ-JOCHJYFZSA-N 1 0 379.504 3.794 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)C[C@@H]1C ZINC001295985189 1045208123 /nfs/dbraw/zinc/20/81/23/1045208123.db2.gz QMRTWDDAFYIKSO-DLBZAZTESA-N 1 0 378.524 3.536 20 30 GHEDRO C=CCC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001297802245 1045625098 /nfs/dbraw/zinc/62/50/98/1045625098.db2.gz NDQIHVIUAZPLPG-TZRRMPRUSA-N 1 0 392.543 3.654 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(C2CC2)nnc1N1CCC(CC#N)CC1)c1cccc(F)c1 ZINC001298030928 1045681932 /nfs/dbraw/zinc/68/19/32/1045681932.db2.gz SUDHMSOFGDUNMN-HXUWFJFHSA-N 1 0 396.514 3.728 20 30 GHEDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C[N@@H+]2C1 ZINC001298803019 1045952003 /nfs/dbraw/zinc/95/20/03/1045952003.db2.gz IMEQSBUGSLIAIA-GJYPPUQNSA-N 1 0 376.460 3.804 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cc(C#N)ccc2Br)C1 ZINC000492872345 1045990725 /nfs/dbraw/zinc/99/07/25/1045990725.db2.gz KRISYHSQTLHARX-AWEZNQCLSA-N 1 0 379.298 3.874 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]Cc2cccc(COCC(F)(F)F)c2)c1 ZINC001261436534 1045997714 /nfs/dbraw/zinc/99/77/14/1045997714.db2.gz FDWOTGDKMPRWPV-UHFFFAOYSA-N 1 0 391.393 3.756 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300801052 1046168907 /nfs/dbraw/zinc/16/89/07/1046168907.db2.gz GUHOPRCFNHBOTF-IEGUWTFLSA-N 1 0 383.584 3.904 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@H](C)[NH+](CC)CC ZINC001300800489 1046169031 /nfs/dbraw/zinc/16/90/31/1046169031.db2.gz UDDJPSWKEJLGNA-FDDCHVKYSA-N 1 0 395.551 3.676 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc1)C(C)C ZINC001262094697 1046184059 /nfs/dbraw/zinc/18/40/59/1046184059.db2.gz WYHASTRGKJFRTL-UHFFFAOYSA-N 1 0 378.476 3.509 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CC=CCC1 ZINC001300905715 1046233761 /nfs/dbraw/zinc/23/37/61/1046233761.db2.gz UTACCUKNVPTPGB-UHFFFAOYSA-N 1 0 396.495 3.518 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300918808 1046241266 /nfs/dbraw/zinc/24/12/66/1046241266.db2.gz JLOYMCHBZURLGB-FQEVSTJZSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001301029028 1046295188 /nfs/dbraw/zinc/29/51/88/1046295188.db2.gz FAJKUZFGNQQORI-HOTGVXAUSA-N 1 0 389.931 3.625 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301044524 1046305242 /nfs/dbraw/zinc/30/52/42/1046305242.db2.gz JKLHZJBQJMICPI-IEBWSBKVSA-N 1 0 385.943 3.603 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccn3C)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001301078559 1046323324 /nfs/dbraw/zinc/32/33/24/1046323324.db2.gz RMZZXBJFYTVPRN-UHFFFAOYSA-N 1 0 384.572 3.949 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301097162 1046339496 /nfs/dbraw/zinc/33/94/96/1046339496.db2.gz QIBYOZQIQNPJOE-HSALFYBXSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001301129167 1046362113 /nfs/dbraw/zinc/36/21/13/1046362113.db2.gz LDYMCQJDJZCVCX-QGZVFWFLSA-N 1 0 392.551 3.703 20 30 GHEDRO C=CCCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301190469 1046395001 /nfs/dbraw/zinc/39/50/01/1046395001.db2.gz TWJWXGNHBCRNCJ-UHFFFAOYSA-N 1 0 382.556 3.541 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[N@H+]1CC ZINC001301280626 1046450371 /nfs/dbraw/zinc/45/03/71/1046450371.db2.gz RXPCACJQLTYPIW-HNNXBMFYSA-N 1 0 377.895 3.844 20 30 GHEDRO C=CCN(c1nnc(C2CCCC2)n1CC1(SC)CC[NH+](C)CC1)C1CC1 ZINC001301322143 1046484253 /nfs/dbraw/zinc/48/42/53/1046484253.db2.gz DSGMQOKMIMGWAX-UHFFFAOYSA-N 1 0 389.613 3.918 20 30 GHEDRO C=CCN(c1nnc(CC2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC001301330396 1046494600 /nfs/dbraw/zinc/49/46/00/1046494600.db2.gz ZAAPUWVOGBBODX-NRFANRHFSA-N 1 0 389.613 3.603 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CCS[C@@H](C(C)C)C1)C(C)C ZINC001301366429 1046510806 /nfs/dbraw/zinc/51/08/06/1046510806.db2.gz CAIXXTIJDPXJJA-WOJBJXKFSA-N 1 0 391.629 3.863 20 30 GHEDRO C=CCN(CCOC)c1nnc(C(C)C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001301417006 1046534481 /nfs/dbraw/zinc/53/44/81/1046534481.db2.gz LTYNJCRARXKFDT-NQIIRXRSSA-N 1 0 377.577 3.551 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)C[C@H]1C ZINC001263131754 1046577817 /nfs/dbraw/zinc/57/78/17/1046577817.db2.gz CDVSWJULTOKWFM-QRVBRYPASA-N 1 0 380.540 3.653 20 30 GHEDRO C=C(C)Cn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N(C)[C@@H](C)CC#N ZINC001263346014 1046729285 /nfs/dbraw/zinc/72/92/85/1046729285.db2.gz CEIFXZPJNFBTML-SFHVURJKSA-N 1 0 393.539 3.680 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCC[NH+]1CCCC1 ZINC001301956236 1046761015 /nfs/dbraw/zinc/76/10/15/1046761015.db2.gz GVJBSGDTIOBQRI-QGZVFWFLSA-N 1 0 392.507 3.773 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC001302115764 1046822663 /nfs/dbraw/zinc/82/26/63/1046822663.db2.gz SNQWFUCYGGJTOY-LJQANCHMSA-N 1 0 389.421 3.929 20 30 GHEDRO CC(C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001302563321 1046979008 /nfs/dbraw/zinc/97/90/08/1046979008.db2.gz RZROOOKDYZJUGA-FPOVZHCZSA-N 1 0 394.567 3.704 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001303173272 1047303703 /nfs/dbraw/zinc/30/37/03/1047303703.db2.gz QVZPEFRLHXOIND-PMACEKPBSA-N 1 0 394.567 3.909 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](CC#N)c3ccccc3)cc2F)CC1 ZINC001264950139 1047521667 /nfs/dbraw/zinc/52/16/67/1047521667.db2.gz FBKJKSSIOQJUOQ-HXUWFJFHSA-N 1 0 394.494 3.992 20 30 GHEDRO C[C@@H]1CC[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001304961065 1047822634 /nfs/dbraw/zinc/82/26/34/1047822634.db2.gz NPMXTEFOLWGLIB-RBUKOAKNSA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001305106844 1047905431 /nfs/dbraw/zinc/90/54/31/1047905431.db2.gz WXPUXMHPDRQWTK-IBGZPJMESA-N 1 0 392.551 3.785 20 30 GHEDRO CCCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)NCc1c[nH]cn1 ZINC001279871571 1047975033 /nfs/dbraw/zinc/97/50/33/1047975033.db2.gz FRXZVLFDFQFVRQ-SFHVURJKSA-N 1 0 378.586 3.584 20 30 GHEDRO C=CCCCNC(=S)N1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279935849 1047993861 /nfs/dbraw/zinc/99/38/61/1047993861.db2.gz FHUCPMZOESKYGI-IYBDPMFKSA-N 1 0 377.520 3.813 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001305376742 1048000285 /nfs/dbraw/zinc/00/02/85/1048000285.db2.gz ODHHWICZCSTYKJ-BZSNNMDCSA-N 1 0 384.528 3.818 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCC(F)(F)F ZINC001279986430 1048028040 /nfs/dbraw/zinc/02/80/40/1048028040.db2.gz STVDGRVZHWIQPT-HOTGVXAUSA-N 1 0 382.455 3.746 20 30 GHEDRO C[C@@H](CC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CC(CC#N)C1)CC(C)(C)C ZINC001280270747 1048153869 /nfs/dbraw/zinc/15/38/69/1048153869.db2.gz YXWNXKSULOUFRD-FUHWJXTLSA-N 1 0 377.598 3.628 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2CCC[C@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)C1 ZINC001280312075 1048175778 /nfs/dbraw/zinc/17/57/78/1048175778.db2.gz TYLCVXSQCBTLQX-VQIMIIECSA-N 1 0 377.941 3.766 20 30 GHEDRO N#CCC1CN(C(=O)[C@@H]2CCC[C@@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)C1 ZINC001280312070 1048176447 /nfs/dbraw/zinc/17/64/47/1048176447.db2.gz TYLCVXSQCBTLQX-LPHOPBHVSA-N 1 0 377.941 3.766 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001286278589 1048249523 /nfs/dbraw/zinc/24/95/23/1048249523.db2.gz DYJLZCQCMCJCPJ-UWJYYQICSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001286279156 1048249970 /nfs/dbraw/zinc/24/99/70/1048249970.db2.gz UAKYRTPADVHFJB-TYPHKJRUSA-N 1 0 379.552 3.762 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286288540 1048257476 /nfs/dbraw/zinc/25/74/76/1048257476.db2.gz IZYGQQZSFMPQHF-TZIWHRDSSA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001286297884 1048262008 /nfs/dbraw/zinc/26/20/08/1048262008.db2.gz YOCQXNVBQCNCLK-PZJWPPBQSA-N 1 0 393.579 3.989 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286367899 1048292645 /nfs/dbraw/zinc/29/26/45/1048292645.db2.gz NTOBXNFRRDCHPR-UHFFFAOYSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286371051 1048295295 /nfs/dbraw/zinc/29/52/95/1048295295.db2.gz YNLTWCZQFKAMMW-FQEVSTJZSA-N 1 0 390.535 3.616 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[N@H+]1CC ZINC001286423551 1048314670 /nfs/dbraw/zinc/31/46/70/1048314670.db2.gz LFMWGFFIECZDHJ-SFHVURJKSA-N 1 0 395.938 3.546 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286440900 1048323478 /nfs/dbraw/zinc/32/34/78/1048323478.db2.gz MSUIFWQFLHQZQF-QGZVFWFLSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286449380 1048329128 /nfs/dbraw/zinc/32/91/28/1048329128.db2.gz VXECKSKMBGGQQY-SFHVURJKSA-N 1 0 385.581 3.512 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CC1(SC)CC[NH+](C)CC1 ZINC001286516337 1048344021 /nfs/dbraw/zinc/34/40/21/1048344021.db2.gz GDQXDJJXNQLHFD-FXAWDEMLSA-N 1 0 389.613 3.611 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001286524012 1048349513 /nfs/dbraw/zinc/34/95/13/1048349513.db2.gz CBXUZZRUFGIQIY-NZQKXSOJSA-N 1 0 383.584 3.735 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286524968 1048350610 /nfs/dbraw/zinc/35/06/10/1048350610.db2.gz HCGWDRJLCVTRMG-DNVFCKCGSA-N 1 0 383.584 3.906 20 30 GHEDRO C=C(Br)Cn1c(C2CCC2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286538615 1048356592 /nfs/dbraw/zinc/35/65/92/1048356592.db2.gz QYESBCDIBYZCDL-UHFFFAOYSA-N 1 0 396.377 3.765 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CC1CC[NH+](CCC)CC1 ZINC001286583359 1048377199 /nfs/dbraw/zinc/37/71/99/1048377199.db2.gz SIBOGFZDGOBTKW-LJQANCHMSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001286608654 1048384607 /nfs/dbraw/zinc/38/46/07/1048384607.db2.gz TXXNZFCDGHUUMW-LJQANCHMSA-N 1 0 389.588 3.524 20 30 GHEDRO C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286631821 1048400312 /nfs/dbraw/zinc/40/03/12/1048400312.db2.gz YHVJULJDLYMXCK-UHFFFAOYSA-N 1 0 387.959 3.783 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286639681 1048406824 /nfs/dbraw/zinc/40/68/24/1048406824.db2.gz CRUKJHUJWSQZDZ-IBGZPJMESA-N 1 0 395.551 3.842 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001286645972 1048412133 /nfs/dbraw/zinc/41/21/33/1048412133.db2.gz KCRMVWUOOZTBHL-PMACEKPBSA-N 1 0 387.572 3.593 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001286645934 1048412274 /nfs/dbraw/zinc/41/22/74/1048412274.db2.gz JMFWOGVRCNSGQF-WOJBJXKFSA-N 1 0 387.572 3.941 20 30 GHEDRO C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286651937 1048420254 /nfs/dbraw/zinc/42/02/54/1048420254.db2.gz PXCNKHYQQFNZEQ-UYAOXDASSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286661188 1048426546 /nfs/dbraw/zinc/42/65/46/1048426546.db2.gz YCASDPOAAAOXPT-KRWDZBQOSA-N 1 0 380.540 3.534 20 30 GHEDRO C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001286666737 1048433390 /nfs/dbraw/zinc/43/33/90/1048433390.db2.gz LNBCWJRWMYTTBZ-GOSISDBHSA-N 1 0 377.577 3.551 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCCC1 ZINC001286713694 1048469704 /nfs/dbraw/zinc/46/97/04/1048469704.db2.gz HYJHWZIEMWBQRR-IBGZPJMESA-N 1 0 383.540 3.753 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001286723544 1048481011 /nfs/dbraw/zinc/48/10/11/1048481011.db2.gz RSVOAIPKUVXJNT-PKOBYXMFSA-N 1 0 387.528 3.818 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+](C)[C@H](C)CC ZINC001286724538 1048482026 /nfs/dbraw/zinc/48/20/26/1048482026.db2.gz OBESWOFMWHEXBS-MRXNPFEDSA-N 1 0 375.948 3.875 20 30 GHEDRO C=CCN(c1nnc(-c2ccccc2OC)n1CC1([NH+](C)C)CCCC1)C1CC1 ZINC001286733552 1048490971 /nfs/dbraw/zinc/49/09/71/1048490971.db2.gz CMXSCWFQBOHYAH-UHFFFAOYSA-N 1 0 395.551 3.983 20 30 GHEDRO CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001287358720 1048732255 /nfs/dbraw/zinc/73/22/55/1048732255.db2.gz GDDDZVOMVRNNLW-UHFFFAOYSA-N 1 0 394.567 3.717 20 30 GHEDRO CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCC(C)CC1 ZINC001306669052 1048797510 /nfs/dbraw/zinc/79/75/10/1048797510.db2.gz SHTBLXZQDXUPMJ-UHFFFAOYSA-N 1 0 380.540 3.785 20 30 GHEDRO COC(=O)c1ccc(NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c(C#N)n1 ZINC001306932573 1048966487 /nfs/dbraw/zinc/96/64/87/1048966487.db2.gz YYFQKFBFWPSVIX-CALCHBBNSA-N 1 0 392.503 3.830 20 30 GHEDRO CCC[NH+](CCC)CCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001307005445 1049004413 /nfs/dbraw/zinc/00/44/13/1049004413.db2.gz VOFSQNZHIKAMET-QFIPXVFZSA-N 1 0 397.571 3.915 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1ccccc1OCC#N ZINC001288425049 1049088144 /nfs/dbraw/zinc/08/81/44/1049088144.db2.gz SFBOXPSEGOKASO-FQEVSTJZSA-N 1 0 377.488 3.716 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001307438718 1049275018 /nfs/dbraw/zinc/27/50/18/1049275018.db2.gz NCBUSYHVYJXIGH-RTWAWAEBSA-N 1 0 399.535 3.703 20 30 GHEDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC001307474633 1049312498 /nfs/dbraw/zinc/31/24/98/1049312498.db2.gz YNDJPMPLCMWRJZ-HNNXBMFYSA-N 1 0 382.508 3.891 20 30 GHEDRO CO[C@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)C ZINC001307482883 1049321185 /nfs/dbraw/zinc/32/11/85/1049321185.db2.gz SXYBLQVFRXGAIH-LSDHHAIUSA-N 1 0 377.554 3.818 20 30 GHEDRO CC[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[C@H]1c1ccccc1 ZINC001307520512 1049364705 /nfs/dbraw/zinc/36/47/05/1049364705.db2.gz NOYPSKSTQOCKPW-TZIWHRDSSA-N 1 0 386.495 3.802 20 30 GHEDRO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]2CCCC[C@@H]12 ZINC001307604124 1049442307 /nfs/dbraw/zinc/44/23/07/1049442307.db2.gz QQPUFFHTRQOQSC-MNEFBYGVSA-N 1 0 378.438 3.684 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001289531440 1049526365 /nfs/dbraw/zinc/52/63/65/1049526365.db2.gz LKIFNQAGGCRTJR-LPHOPBHVSA-N 1 0 392.507 3.745 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001307730005 1049542387 /nfs/dbraw/zinc/54/23/87/1049542387.db2.gz RCLPWYWKWGTDMT-UHFFFAOYSA-N 1 0 377.838 3.737 20 30 GHEDRO C=C(C)C[N@@H+](CCOc1ccc(C(=O)OC)cc1Cl)Cc1ccc(CO)o1 ZINC001307761167 1049575722 /nfs/dbraw/zinc/57/57/22/1049575722.db2.gz PEHSAOOXEWUMJA-UHFFFAOYSA-N 1 0 393.867 3.669 20 30 GHEDRO COc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC001289687014 1049591737 /nfs/dbraw/zinc/59/17/37/1049591737.db2.gz ZUDMFJXJPQQNSX-BHIFYINESA-N 1 0 389.499 3.597 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)CCc1cccc(Br)c1 ZINC001307802382 1049599578 /nfs/dbraw/zinc/59/95/78/1049599578.db2.gz RBXQYAHKEURQLP-UHFFFAOYSA-N 1 0 389.293 3.883 20 30 GHEDRO Cc1ccc(N2CCC[C@H]([NH+]3CCC(Nc4ccccc4C#N)CC3)C2=O)cc1 ZINC001307966031 1049727721 /nfs/dbraw/zinc/72/77/21/1049727721.db2.gz ATTPDRKKIHNMGO-QHCPKHFHSA-N 1 0 388.515 3.939 20 30 GHEDRO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC001308006926 1049755876 /nfs/dbraw/zinc/75/58/76/1049755876.db2.gz SJESZTFJZUZDLO-XLIONFOSSA-N 1 0 394.918 3.947 20 30 GHEDRO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC001308007583 1049756368 /nfs/dbraw/zinc/75/63/68/1049756368.db2.gz HAORUXYRDAUFCH-RXVVDRJESA-N 1 0 382.479 3.900 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](CC#N)c1ccccc1)c1cccc(OC)c1 ZINC001290521175 1049869015 /nfs/dbraw/zinc/86/90/15/1049869015.db2.gz SJUYMAYTEIEIGZ-VXKWHMMOSA-N 1 0 379.504 3.892 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001308146243 1049884585 /nfs/dbraw/zinc/88/45/85/1049884585.db2.gz VHGNERDGDFCTIQ-DJIMGWMZSA-N 1 0 375.900 3.677 20 30 GHEDRO CN(C)[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)c1ccc(F)cc1 ZINC001308208015 1049913197 /nfs/dbraw/zinc/91/31/97/1049913197.db2.gz YQKIYEYSWVTYDT-SFHVURJKSA-N 1 0 376.273 3.852 20 30 GHEDRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001308299410 1049942203 /nfs/dbraw/zinc/94/22/03/1049942203.db2.gz HDWZNCTWZSSANS-CXAGYDPISA-N 1 0 377.460 3.547 20 30 GHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC001308405016 1049968228 /nfs/dbraw/zinc/96/82/28/1049968228.db2.gz KZHYSXYMOFUIRC-SWLSCSKDSA-N 1 0 384.261 3.564 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC001308405011 1049968335 /nfs/dbraw/zinc/96/83/35/1049968335.db2.gz KZHYSXYMOFUIRC-DOMZBBRYSA-N 1 0 384.261 3.564 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cc4ccc(F)cc4[nH]c3=O)CCOCC2)c1 ZINC001308468856 1049983745 /nfs/dbraw/zinc/98/37/45/1049983745.db2.gz NBVGLYHBCJYJCH-UHFFFAOYSA-N 1 0 377.419 3.747 20 30 GHEDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001308528782 1049999589 /nfs/dbraw/zinc/99/95/89/1049999589.db2.gz YDNBZSFDOYQWKR-OOPCZODUSA-N 1 0 375.284 3.778 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC001308861062 1050128081 /nfs/dbraw/zinc/12/80/81/1050128081.db2.gz UNVMVWFSVWYJJB-NHCUHLMSSA-N 1 0 392.503 3.836 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)C1 ZINC001328773368 1050633759 /nfs/dbraw/zinc/63/37/59/1050633759.db2.gz YJFGQKQTZVXDKG-RTBURBONSA-N 1 0 379.932 3.709 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC001310046110 1051120401 /nfs/dbraw/zinc/12/04/01/1051120401.db2.gz NJNBKCZWXNIJMC-HXUWFJFHSA-N 1 0 378.520 3.747 20 30 GHEDRO N#CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001334047553 1051891668 /nfs/dbraw/zinc/89/16/68/1051891668.db2.gz VVWAOEOCCBRDCU-VQTJNVASSA-N 1 0 390.487 3.575 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC001311357049 1052053761 /nfs/dbraw/zinc/05/37/61/1052053761.db2.gz BPHYBGVVTQHGAU-WOJBJXKFSA-N 1 0 399.579 3.777 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001311370793 1052066722 /nfs/dbraw/zinc/06/67/22/1052066722.db2.gz VLFASMITBJEOHR-UHFFFAOYSA-N 1 0 390.531 3.843 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1)C(C)C ZINC001311389264 1052081146 /nfs/dbraw/zinc/08/11/46/1052081146.db2.gz XRZMEARPXAMOCB-GMAHTHKFSA-N 1 0 398.595 3.962 20 30 GHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)COc3ccccc3C#N)cc2)cs1 ZINC001335351695 1052082433 /nfs/dbraw/zinc/08/24/33/1052082433.db2.gz GRNJHYAAYQFCHR-HXUWFJFHSA-N 1 0 393.512 3.562 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(C)c(C#N)c1)[NH+]1CCCC1 ZINC001311571526 1052254320 /nfs/dbraw/zinc/25/43/20/1052254320.db2.gz LCYXBHIHJJBUEN-OAQYLSRUSA-N 1 0 392.503 3.512 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001312128870 1052588906 /nfs/dbraw/zinc/58/89/06/1052588906.db2.gz LKLYIYAWVGZJQH-XMSQKQJNSA-N 1 0 376.504 3.577 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001312736702 1052852986 /nfs/dbraw/zinc/85/29/86/1052852986.db2.gz QAMVCXOBUCXCAJ-UHFFFAOYSA-N 1 0 391.515 3.505 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001342329969 1053111108 /nfs/dbraw/zinc/11/11/08/1053111108.db2.gz APPUCXBWHDLBHC-FQEVSTJZSA-N 1 0 392.551 3.659 20 30 GHEDRO C=CCn1c([C@@H](OC)c2cccs2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342467697 1053185812 /nfs/dbraw/zinc/18/58/12/1053185812.db2.gz QPDMOWQSQJADEE-SFHVURJKSA-N 1 0 389.569 3.572 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001342699403 1053307102 /nfs/dbraw/zinc/30/71/02/1053307102.db2.gz LHTCFYBIRFYAHI-XSLAGTTESA-N 1 0 393.526 3.924 20 30 GHEDRO C=C(C)Cn1c(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nnc1[C@]1(C)CCC=CO1 ZINC001342707278 1053311695 /nfs/dbraw/zinc/31/16/95/1053311695.db2.gz MQIJQYAQVNUVKG-AVRDEDQJSA-N 1 0 394.523 3.504 20 30 GHEDRO C[NH+]1CCC(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC001342784184 1053354043 /nfs/dbraw/zinc/35/40/43/1053354043.db2.gz MESNEMYPMUZDTI-ZDUSSCGKSA-N 1 0 397.422 3.602 20 30 GHEDRO CC(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342892929 1053415923 /nfs/dbraw/zinc/41/59/23/1053415923.db2.gz AISDNSCRDVPIFI-UHFFFAOYSA-N 1 0 380.540 3.634 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001342923501 1053438223 /nfs/dbraw/zinc/43/82/23/1053438223.db2.gz FKZMWKFIGJYONQ-VQTJNVASSA-N 1 0 390.535 3.582 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001343296156 1053684225 /nfs/dbraw/zinc/68/42/25/1053684225.db2.gz WLIGQGPRMQYYJZ-JOCHJYFZSA-N 1 0 385.556 3.501 20 30 GHEDRO C=C[C@H](O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CC(=C)C ZINC001343535177 1053850460 /nfs/dbraw/zinc/85/04/60/1053850460.db2.gz AHPUVZWITCZQEP-QUCCMNQESA-N 1 0 387.572 3.555 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001343553544 1053872592 /nfs/dbraw/zinc/87/25/92/1053872592.db2.gz IESOTRPVPLAGPJ-MSOLQXFVSA-N 1 0 377.577 3.898 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001343574985 1053900837 /nfs/dbraw/zinc/90/08/37/1053900837.db2.gz DXSUJNQDCNXGAU-IAGOWNOFSA-N 1 0 379.499 3.822 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)C(C)(C)O)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001343758154 1054002717 /nfs/dbraw/zinc/00/27/17/1054002717.db2.gz AMZBEXYCBBAJNW-GOSISDBHSA-N 1 0 389.588 3.573 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)C2CCCC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001344016016 1054188259 /nfs/dbraw/zinc/18/82/59/1054188259.db2.gz BXQUQCYSRZFOIP-FQEVSTJZSA-N 1 0 389.588 3.634 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CCCCC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001344016767 1054189219 /nfs/dbraw/zinc/18/92/19/1054189219.db2.gz KJXSCOCBWRGKEH-GOSISDBHSA-N 1 0 377.577 3.779 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001344396217 1054423183 /nfs/dbraw/zinc/42/31/83/1054423183.db2.gz GJCWBTSQNMXYMB-HLAWJBBLSA-N 1 0 392.551 3.662 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001318281575 1054544259 /nfs/dbraw/zinc/54/42/59/1054544259.db2.gz NYEGUQFDWMDRAQ-KRWDZBQOSA-N 1 0 379.464 3.599 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Nc3ccccc3Cl)CC2)CC1 ZINC001318312493 1054560866 /nfs/dbraw/zinc/56/08/66/1054560866.db2.gz CRXIELGZZJQHFK-UHFFFAOYSA-N 1 0 376.932 3.576 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001318454751 1054651840 /nfs/dbraw/zinc/65/18/40/1054651840.db2.gz LOTIQYVGFMEYRW-RTBURBONSA-N 1 0 379.464 3.740 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001318498722 1054680011 /nfs/dbraw/zinc/68/00/11/1054680011.db2.gz MRPAOEQRPPTLRI-LEWJYISDSA-N 1 0 377.488 3.740 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC001344767870 1054731254 /nfs/dbraw/zinc/73/12/54/1054731254.db2.gz ZKKSREQMCLNUBY-NSHDSACASA-N 1 0 386.311 3.785 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001318623595 1054756462 /nfs/dbraw/zinc/75/64/62/1054756462.db2.gz NCOAEJFJRPDRNT-VXKWHMMOSA-N 1 0 377.488 3.740 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001318623594 1054756926 /nfs/dbraw/zinc/75/69/26/1054756926.db2.gz NCOAEJFJRPDRNT-FGZHOGPDSA-N 1 0 377.488 3.740 20 30 GHEDRO CCc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c1 ZINC001318805521 1054884578 /nfs/dbraw/zinc/88/45/78/1054884578.db2.gz ONGAZQIAPKVMAW-UHFFFAOYSA-N 1 0 380.492 3.515 20 30 GHEDRO N#Cc1cccc(C2(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001345114407 1054908313 /nfs/dbraw/zinc/90/83/13/1054908313.db2.gz YCLXNYKAKAORDZ-UHFFFAOYSA-N 1 0 399.494 3.939 20 30 GHEDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C2 ZINC001345592632 1055135037 /nfs/dbraw/zinc/13/50/37/1055135037.db2.gz PMKYSJPWAXQCHI-XDTLVQLUSA-N 1 0 398.322 3.928 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1CC1 ZINC001345699673 1055211389 /nfs/dbraw/zinc/21/13/89/1055211389.db2.gz NLYVLHLZSWMFGG-DBXWQHBBSA-N 1 0 392.551 3.662 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CCC(C)([NH+]3CCCCC3)CC2)n1CC1CC1 ZINC001345748483 1055240295 /nfs/dbraw/zinc/24/02/95/1055240295.db2.gz ANXIEHZWMGSGMV-GOSISDBHSA-N 1 0 384.572 3.940 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCC2CCOCC2)cc1OC ZINC001319835286 1055497003 /nfs/dbraw/zinc/49/70/03/1055497003.db2.gz ABTPJCAFSFAVTP-UHFFFAOYSA-N 1 0 384.314 3.929 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)C1 ZINC001320884077 1055997981 /nfs/dbraw/zinc/99/79/81/1055997981.db2.gz NEZXBAIACAEYCF-MDMXATFFSA-N 1 0 399.332 3.814 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001300448649 1056122828 /nfs/dbraw/zinc/12/28/28/1056122828.db2.gz BBYOWGJOTPMFCY-LJQANCHMSA-N 1 0 395.551 3.678 20 30 GHEDRO N#CC(CC[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1)(c1ccccc1)c1ccccc1 ZINC001321224647 1056167632 /nfs/dbraw/zinc/16/76/32/1056167632.db2.gz RGPNNESBOVKVMK-HXUWFJFHSA-N 1 0 387.527 3.877 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)ccc1C#N ZINC001321663005 1056354698 /nfs/dbraw/zinc/35/46/98/1056354698.db2.gz RUXKXVBIPYSYNV-UHFFFAOYSA-N 1 0 381.476 3.881 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001321730052 1056376410 /nfs/dbraw/zinc/37/64/10/1056376410.db2.gz QNMHAMNDFLPPTA-UHFFFAOYSA-N 1 0 380.467 3.789 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)CC1 ZINC001354158583 1056381701 /nfs/dbraw/zinc/38/17/01/1056381701.db2.gz PDFIXIXOQCLPBY-UHFFFAOYSA-N 1 0 394.567 3.828 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1=S ZINC001322188222 1056558634 /nfs/dbraw/zinc/55/86/34/1056558634.db2.gz UYBWHSXPLLDIKO-GOSISDBHSA-N 1 0 387.528 3.534 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001300608853 1056632401 /nfs/dbraw/zinc/63/24/01/1056632401.db2.gz GHEACHHYRLULGK-OAHLLOKOSA-N 1 0 389.906 3.539 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2F)n1CC[N@H+]1CCCC[C@H]1CC ZINC001300616220 1056671152 /nfs/dbraw/zinc/67/11/52/1056671152.db2.gz DBAIOUPLZDHBMZ-GOSISDBHSA-N 1 0 383.515 3.808 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC001322733766 1056824930 /nfs/dbraw/zinc/82/49/30/1056824930.db2.gz ZXMQXWOHUQPNCH-JOCHJYFZSA-N 1 0 375.472 3.775 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cnn(-c2ccccc2)c1C)[n+]1ccccc1 ZINC001323517547 1056980255 /nfs/dbraw/zinc/98/02/55/1056980255.db2.gz JAPXFAHKQMSIPQ-UHFFFAOYSA-O 1 0 391.520 3.845 20 30 GHEDRO N#Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)c(F)c1Br ZINC001472901181 1056993547 /nfs/dbraw/zinc/99/35/47/1056993547.db2.gz BPRPSKCLCJDDNT-UHFFFAOYSA-N 1 0 375.245 3.936 20 30 GHEDRO FC(F)(F)c1cc(N=NC2CCC[N@@H+]3CCCC[C@H]23)nc(-c2cccnc2)n1 ZINC000848407352 1057070334 /nfs/dbraw/zinc/07/03/34/1057070334.db2.gz ZLQBASLDVRKONF-OAHLLOKOSA-N 1 0 390.413 3.974 20 30 GHEDRO [NH3+]C[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000848439143 1057089112 /nfs/dbraw/zinc/08/91/12/1057089112.db2.gz LWIPAFKUHOLMEJ-TXXBHVLJSA-N 1 0 394.237 3.743 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001324923862 1057248430 /nfs/dbraw/zinc/24/84/30/1057248430.db2.gz GXJIKGJKOGKWHM-FQEVSTJZSA-N 1 0 396.510 3.548 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001325223772 1057292882 /nfs/dbraw/zinc/29/28/82/1057292882.db2.gz RJHBBXWKOWIAAI-GGAORHGYSA-N 1 0 382.479 3.650 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001325502728 1057335847 /nfs/dbraw/zinc/33/58/47/1057335847.db2.gz UKFYSDJPELHVJX-UHFFFAOYSA-N 1 0 383.442 3.515 20 30 GHEDRO N#CCOc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001325846845 1057372502 /nfs/dbraw/zinc/37/25/02/1057372502.db2.gz ULGUUGCOAWLHKF-IBGZPJMESA-N 1 0 385.414 3.685 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3cnn(C(C)C)c32)c(OC)c1 ZINC001325878466 1057379453 /nfs/dbraw/zinc/37/94/53/1057379453.db2.gz KHFZKEGSNCGAFE-VQTJNVASSA-N 1 0 399.535 3.608 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1C(C#N)(CC)CC ZINC001356160944 1057412922 /nfs/dbraw/zinc/41/29/22/1057412922.db2.gz BQVHXLURJLEWJF-UHFFFAOYSA-N 1 0 384.572 3.890 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001326489815 1057495096 /nfs/dbraw/zinc/49/50/96/1057495096.db2.gz USSDZSNVLMIJLP-NRFANRHFSA-N 1 0 376.500 3.683 20 30 GHEDRO CNC(NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)=[NH+]C ZINC000849016975 1057523968 /nfs/dbraw/zinc/52/39/68/1057523968.db2.gz VHUCFSWAGZOFFR-MRXNPFEDSA-N 1 0 397.375 3.949 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)C(C)C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001356524979 1057538092 /nfs/dbraw/zinc/53/80/92/1057538092.db2.gz NRYFDLWAKMPHFW-IBGZPJMESA-N 1 0 389.588 3.779 20 30 GHEDRO CS(=O)(=O)Cc1ccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)cc1 ZINC000849071392 1057580707 /nfs/dbraw/zinc/58/07/07/1057580707.db2.gz PALAWULJQUDGBS-UHFFFAOYSA-N 1 0 385.533 3.685 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(OC)c2Br)CC1 ZINC001338219279 1058458736 /nfs/dbraw/zinc/45/87/36/1058458736.db2.gz SGVBLKLBXUMFIC-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO CCc1ccc(C#CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC001441319366 1058748579 /nfs/dbraw/zinc/74/85/79/1058748579.db2.gz JGTOMFPHTCOLDT-WOJBJXKFSA-N 1 0 390.527 3.526 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(OCC#N)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001338826471 1058816181 /nfs/dbraw/zinc/81/61/81/1058816181.db2.gz XWGHCXXFRJGIEW-SFHVURJKSA-N 1 0 377.488 3.871 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC001441659126 1058834679 /nfs/dbraw/zinc/83/46/79/1058834679.db2.gz PEQOUJOLPSAXEU-KXNZUKPASA-N 1 0 383.536 3.743 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 ZINC001441824496 1058872080 /nfs/dbraw/zinc/87/20/80/1058872080.db2.gz OSLQZSZFQYEWMT-OAHLLOKOSA-N 1 0 377.916 3.801 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC1CC1)C1CCC1 ZINC001339131227 1058973413 /nfs/dbraw/zinc/97/34/13/1058973413.db2.gz RLICBBYKWHYXGD-FQEVSTJZSA-N 1 0 385.556 3.549 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001339130969 1058973756 /nfs/dbraw/zinc/97/37/56/1058973756.db2.gz PJOAMFGHGVYHNW-PKOBYXMFSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC001443429415 1059128475 /nfs/dbraw/zinc/12/84/75/1059128475.db2.gz OJGXNBINHBZAHY-GOSISDBHSA-N 1 0 381.561 3.569 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)C(C)C ZINC001443432687 1059129476 /nfs/dbraw/zinc/12/94/76/1059129476.db2.gz YOJAWQLPFODTBY-SFHVURJKSA-N 1 0 393.572 3.639 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001339612336 1059346000 /nfs/dbraw/zinc/34/60/00/1059346000.db2.gz CGLDSBWOAAQTRA-RTBURBONSA-N 1 0 380.540 3.806 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339799145 1059482539 /nfs/dbraw/zinc/48/25/39/1059482539.db2.gz WCDLAVFFKYKTTQ-MOPGFXCFSA-N 1 0 389.588 3.692 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001340492329 1059952049 /nfs/dbraw/zinc/95/20/49/1059952049.db2.gz XMLDBCXJXWZZKS-KRWDZBQOSA-N 1 0 375.561 3.795 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2Cc2ccccc2)CC1 ZINC001340558735 1059975010 /nfs/dbraw/zinc/97/50/10/1059975010.db2.gz QPVFSLFJWNEXBA-LEWJYISDSA-N 1 0 392.551 3.510 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]3OCCC[C@H]3C2)c1C#N ZINC001340898389 1060232644 /nfs/dbraw/zinc/23/26/44/1060232644.db2.gz OXCJPYJTPVVPAD-FXAWDEMLSA-N 1 0 384.524 3.531 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(Br)c(OC(C)C)c1 ZINC001448871019 1060288235 /nfs/dbraw/zinc/28/82/35/1060288235.db2.gz FDSXEMIFKWGOIN-UHFFFAOYSA-N 1 0 383.330 3.816 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Cc3ccc(C#N)cc3)n2CC)C1 ZINC001340975877 1060303971 /nfs/dbraw/zinc/30/39/71/1060303971.db2.gz QYZOLQXTWZTPBV-NQIIRXRSSA-N 1 0 394.567 3.684 20 30 GHEDRO CCc1ccc(C#CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC001449169014 1060342114 /nfs/dbraw/zinc/34/21/14/1060342114.db2.gz FZNCFQQQBRHIRV-OAQYLSRUSA-N 1 0 380.557 3.951 20 30 GHEDRO CCn1c(CC(C)(C)C#N)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001341167370 1060466821 /nfs/dbraw/zinc/46/68/21/1060466821.db2.gz VGDMWZXLSMFESK-ICSRJNTNSA-N 1 0 394.567 3.880 20 30 GHEDRO CC[NH+](CC)Cc1ccc(-c2nnc(COc3ccc(C#N)cc3OC)o2)o1 ZINC001341475851 1060708994 /nfs/dbraw/zinc/70/89/94/1060708994.db2.gz VXOPXOHNBQYVLW-UHFFFAOYSA-N 1 0 382.420 3.631 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(CCCCC#N)n2Cc2ccccc2)CC1 ZINC001342130706 1061076462 /nfs/dbraw/zinc/07/64/62/1061076462.db2.gz PXBXGBCTJLIIQI-UHFFFAOYSA-N 1 0 394.567 3.873 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCCc3cccc(O)c3)CC2)cc1 ZINC001346250755 1061480335 /nfs/dbraw/zinc/48/03/35/1061480335.db2.gz ODWDJYXDDHGJOM-UHFFFAOYSA-N 1 0 391.515 3.711 20 30 GHEDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C[C@@]2(C)C1 ZINC001454288939 1061700776 /nfs/dbraw/zinc/70/07/76/1061700776.db2.gz VTUGVYDUYICRCN-ZRZAMGCNSA-N 1 0 375.472 3.764 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CCC(C2CCOCC2)CC1 ZINC001346627304 1061743970 /nfs/dbraw/zinc/74/39/70/1061743970.db2.gz KTVVFKZPQORKSE-FQEVSTJZSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc1 ZINC001454403457 1061759054 /nfs/dbraw/zinc/75/90/54/1061759054.db2.gz JTPVMDABOJIWTC-CVDCTZTESA-N 1 0 378.516 3.821 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC2(COC2)C1 ZINC001346658595 1061773031 /nfs/dbraw/zinc/77/30/31/1061773031.db2.gz XQPPQYPHGYMWEX-LJQANCHMSA-N 1 0 385.556 3.551 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001492788715 1061925837 /nfs/dbraw/zinc/92/58/37/1061925837.db2.gz ZZUSEDYYTBOUIN-OAQYLSRUSA-N 1 0 392.551 3.748 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CCC(C)([NH+]3CCCCC3)CC2)n1CC1CC1 ZINC001346924109 1061985002 /nfs/dbraw/zinc/98/50/02/1061985002.db2.gz RUGOERVZVNJVFA-UHFFFAOYSA-N 1 0 384.572 3.625 20 30 GHEDRO C#CC[C@@]1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCCN1C(=O)OC(C)(C)C ZINC001435019183 1062218221 /nfs/dbraw/zinc/21/82/21/1062218221.db2.gz OQNRBWIVIMVLQY-QHCPKHFHSA-N 1 0 399.535 3.522 20 30 GHEDRO COc1cccc([C@]2(C)CC[N@H+](Cn3c(C)nnc3-c3cccc(C#N)c3)C2)c1 ZINC001347239167 1062233862 /nfs/dbraw/zinc/23/38/62/1062233862.db2.gz WAROJWDWAZDTAJ-HSZRJFAPSA-N 1 0 387.487 3.755 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C[N@H+](C)CCOc2ccccc2)cc1 ZINC001455812084 1062304867 /nfs/dbraw/zinc/30/48/67/1062304867.db2.gz TZWLDNWKCBYMMZ-UHFFFAOYSA-N 1 0 388.471 3.958 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)CC1 ZINC001455946200 1062364999 /nfs/dbraw/zinc/36/49/99/1062364999.db2.gz PNROBORLNUWGON-UHFFFAOYSA-N 1 0 387.458 3.868 20 30 GHEDRO CC(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001347480889 1062417084 /nfs/dbraw/zinc/41/70/84/1062417084.db2.gz GTZJCLDYQFVTPS-UXHICEINSA-N 1 0 384.572 3.654 20 30 GHEDRO COc1ccccc1[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)OC(C)C ZINC001348971550 1063458495 /nfs/dbraw/zinc/45/84/95/1063458495.db2.gz DOQFASBCRRQJOL-OAQYLSRUSA-N 1 0 381.476 3.651 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)cc1 ZINC001437020774 1063740413 /nfs/dbraw/zinc/74/04/13/1063740413.db2.gz NUTLXQDGOZWBIJ-ZEQRLZLVSA-N 1 0 388.511 3.970 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC001437138587 1063769189 /nfs/dbraw/zinc/76/91/89/1063769189.db2.gz QIQSTHRATNRJMH-UHFFFAOYSA-N 1 0 391.515 3.627 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c2ncccc12 ZINC001437245418 1063792715 /nfs/dbraw/zinc/79/27/15/1063792715.db2.gz QNZICDANUWZRFB-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCC3CC[NH+](CC4CC4)CC3)c2c1 ZINC001458517317 1063861898 /nfs/dbraw/zinc/86/18/98/1063861898.db2.gz PLVKULFIKNZNHA-UHFFFAOYSA-N 1 0 380.492 3.658 20 30 GHEDRO C=CCOCSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC001458812315 1063940482 /nfs/dbraw/zinc/94/04/82/1063940482.db2.gz KJDBTJRWOAMSLW-UHFFFAOYSA-N 1 0 375.538 3.768 20 30 GHEDRO C#CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001438328951 1064035422 /nfs/dbraw/zinc/03/54/22/1064035422.db2.gz GXMHAAIZODWXHQ-XZOQPEGZSA-N 1 0 390.527 3.829 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC001459391294 1064083798 /nfs/dbraw/zinc/08/37/98/1064083798.db2.gz LXEYYNGJYBBFRN-QFIPXVFZSA-N 1 0 380.463 3.817 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccccc1 ZINC001459848807 1064241831 /nfs/dbraw/zinc/24/18/31/1064241831.db2.gz JNPCBTFDYJAXAV-QGZVFWFLSA-N 1 0 396.512 3.706 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459969240 1064309404 /nfs/dbraw/zinc/30/94/04/1064309404.db2.gz JAQRDETXRIVYEF-RDJZCZTQSA-N 1 0 398.425 3.783 20 30 GHEDRO C=CCn1c([C@@H]2CC(C)=NN=C2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001351526041 1064500177 /nfs/dbraw/zinc/50/01/77/1064500177.db2.gz ALRZQIJPJFEQHM-LJQANCHMSA-N 1 0 397.571 3.633 20 30 GHEDRO C=CCn1c([C@@H](CO)CC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001351584426 1064522213 /nfs/dbraw/zinc/52/22/13/1064522213.db2.gz NSZOSIWTXDUHCI-LJQANCHMSA-N 1 0 391.604 3.533 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001464385027 1064981242 /nfs/dbraw/zinc/98/12/42/1064981242.db2.gz RSDHTHTWASKUBF-UHFFFAOYSA-N 1 0 375.463 3.765 20 30 GHEDRO CCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C#N ZINC001352356056 1064989869 /nfs/dbraw/zinc/98/98/69/1064989869.db2.gz MBDDTJHGSHRZOV-PKOBYXMFSA-N 1 0 380.540 3.588 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CN1c2ccccc2Sc2ccccc21 ZINC001464473786 1065031790 /nfs/dbraw/zinc/03/17/90/1065031790.db2.gz BJWYUAHGZURCLJ-UHFFFAOYSA-N 1 0 394.544 3.983 20 30 GHEDRO CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001352635876 1065193996 /nfs/dbraw/zinc/19/39/96/1065193996.db2.gz ANEPACOGXCJFSU-NZQKXSOJSA-N 1 0 392.551 3.808 20 30 GHEDRO CCn1c(Cc2ccc(C#N)cc2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001352764971 1065290356 /nfs/dbraw/zinc/29/03/56/1065290356.db2.gz IKIYEAUCBVYNSZ-UHFFFAOYSA-N 1 0 392.551 3.605 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2OCCC)CC1 ZINC001465040654 1065347268 /nfs/dbraw/zinc/34/72/68/1065347268.db2.gz BPAFQGBJNDRACS-UHFFFAOYSA-N 1 0 383.414 3.713 20 30 GHEDRO CCCCCCCCCCNC(=S)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001200209272 1065590282 /nfs/dbraw/zinc/59/02/82/1065590282.db2.gz CFHFVRBLFDVNRU-LJQANCHMSA-N 1 0 393.645 3.892 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001492557585 1065666672 /nfs/dbraw/zinc/66/66/72/1065666672.db2.gz PILCSRZHUPLAMI-XLIONFOSSA-N 1 0 392.551 3.866 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2C#N)C[N@@H+]1Cc1ccccc1 ZINC001465915893 1065920214 /nfs/dbraw/zinc/92/02/14/1065920214.db2.gz NXPGWMJEBFDVJD-KSSFIOAISA-N 1 0 398.304 3.714 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300293769 1065942532 /nfs/dbraw/zinc/94/25/32/1065942532.db2.gz RXTPKHNIMSNPJV-ICSRJNTNSA-N 1 0 389.503 3.833 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001300328166 1065995808 /nfs/dbraw/zinc/99/58/08/1065995808.db2.gz HRUIESGXILLHQR-WSTZPKSXSA-N 1 0 395.551 3.717 20 30 GHEDRO C[C@@H](Oc1ccccc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745544 1066011037 /nfs/dbraw/zinc/01/10/37/1066011037.db2.gz KJTBJPMLDAYEGW-LJQANCHMSA-N 1 0 378.472 3.803 20 30 GHEDRO N#CC1(COC(=O)c2noc3c2CCCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847747662 1066021627 /nfs/dbraw/zinc/02/16/27/1066021627.db2.gz MHTPWGXRYHAPEA-UHFFFAOYSA-N 1 0 393.487 3.906 20 30 GHEDRO N#CC1(COC(=O)c2ccc3nccnc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000847747469 1066021995 /nfs/dbraw/zinc/02/19/95/1066021995.db2.gz JCTMDKFQHNPPTI-UHFFFAOYSA-N 1 0 386.455 3.593 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2CC(=O)c3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847747422 1066022565 /nfs/dbraw/zinc/02/25/65/1066022565.db2.gz HFWVIKGVIXPJGY-OAQYLSRUSA-N 1 0 388.467 3.706 20 30 GHEDRO COCc1cccc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847747725 1066034156 /nfs/dbraw/zinc/03/41/56/1066034156.db2.gz OTVGECOWZYZNPA-UHFFFAOYSA-N 1 0 392.499 3.725 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(Br)ncc1C)C(C)C ZINC001466293625 1066077010 /nfs/dbraw/zinc/07/70/10/1066077010.db2.gz NKXSWEAESFQZPX-INIZCTEOSA-N 1 0 395.345 3.973 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1scc(C)c1C#N)[NH+]1CCCC1 ZINC001466472589 1066167366 /nfs/dbraw/zinc/16/73/66/1066167366.db2.gz ODWULMSNPCWWKH-QGZVFWFLSA-N 1 0 384.505 3.895 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000847826398 1066214310 /nfs/dbraw/zinc/21/43/10/1066214310.db2.gz GKJWFGDKZQEHDG-SFHVURJKSA-N 1 0 380.492 3.579 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C)cnc1Br)C(C)C ZINC001466663527 1066242012 /nfs/dbraw/zinc/24/20/12/1066242012.db2.gz ZNGGTOIAHACCRE-INIZCTEOSA-N 1 0 395.345 3.973 20 30 GHEDRO Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C#N)cc1N(C)C ZINC001466762313 1066300069 /nfs/dbraw/zinc/30/00/69/1066300069.db2.gz IYMIWYZEXQTKRK-HXUWFJFHSA-N 1 0 391.519 3.719 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300441225 1066340701 /nfs/dbraw/zinc/34/07/01/1066340701.db2.gz HHZNYBLQJMYRFG-LJQANCHMSA-N 1 0 391.519 3.881 20 30 GHEDRO C=CCC[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001357294707 1067035613 /nfs/dbraw/zinc/03/56/13/1067035613.db2.gz FRVBONXPVRNPHT-GOSISDBHSA-N 1 0 384.442 3.940 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001467194461 1067140971 /nfs/dbraw/zinc/14/09/71/1067140971.db2.gz RLPLGDFNYQMOSA-KRWDZBQOSA-N 1 0 382.430 3.583 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(CC#N)n2)C1 ZINC001467204320 1067150161 /nfs/dbraw/zinc/15/01/61/1067150161.db2.gz NRNHVSYJASAYAZ-QGZVFWFLSA-N 1 0 377.492 3.701 20 30 GHEDRO CCCc1c(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cnn1-c1cccc(C#N)c1 ZINC001467253204 1067179917 /nfs/dbraw/zinc/17/99/17/1067179917.db2.gz KIYMJZNQUPQPQX-DYESRHJHSA-N 1 0 377.492 3.652 20 30 GHEDRO C#Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC001467401423 1067276674 /nfs/dbraw/zinc/27/66/74/1067276674.db2.gz KRGUNQBMPPMGAQ-UHFFFAOYSA-N 1 0 380.879 3.789 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC001467727558 1067439630 /nfs/dbraw/zinc/43/96/30/1067439630.db2.gz LBIWYOYDQYMQDA-UHFFFAOYSA-N 1 0 379.504 3.543 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)C)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001358871732 1067588599 /nfs/dbraw/zinc/58/85/99/1067588599.db2.gz JNNGYSGCEXBWNK-IBGZPJMESA-N 1 0 379.552 3.894 20 30 GHEDRO C#CCCCCn1c(CC(C)C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001358913404 1067610171 /nfs/dbraw/zinc/61/01/71/1067610171.db2.gz NJLKZFOCTWKWHO-UHFFFAOYSA-N 1 0 385.600 3.982 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001358944913 1067625495 /nfs/dbraw/zinc/62/54/95/1067625495.db2.gz MYSGPYYWWNJFLF-FQEVSTJZSA-N 1 0 395.551 3.534 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](C)CC)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001358999852 1067643748 /nfs/dbraw/zinc/64/37/48/1067643748.db2.gz FLIJFDHDIQDAOR-UNMCSNQZSA-N 1 0 393.579 3.816 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359006331 1067648737 /nfs/dbraw/zinc/64/87/37/1067648737.db2.gz PZUNNXVMGNEGMW-SFHVURJKSA-N 1 0 383.515 3.664 20 30 GHEDRO C#CCN(CC)c1nnc(CC(C)(C)C)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001359010039 1067651094 /nfs/dbraw/zinc/65/10/94/1067651094.db2.gz DZPNRBDRLNYZMJ-LJQANCHMSA-N 1 0 393.579 3.773 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+](CC)C(C)C ZINC001359067011 1067668393 /nfs/dbraw/zinc/66/83/93/1067668393.db2.gz XRFAUCFAKQDTSN-HSZRJFAPSA-N 1 0 390.535 3.539 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001359114635 1067693683 /nfs/dbraw/zinc/69/36/83/1067693683.db2.gz RPMRMAIJAZBJRN-OAQYLSRUSA-N 1 0 381.568 3.808 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359116596 1067695087 /nfs/dbraw/zinc/69/50/87/1067695087.db2.gz QZUIHHCMWDBFIN-IAGOWNOFSA-N 1 0 389.569 3.896 20 30 GHEDRO C=C(C)COCCn1c(C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359127238 1067699136 /nfs/dbraw/zinc/69/91/36/1067699136.db2.gz LYTFDPSAHSYFBC-KNQAVFIVSA-N 1 0 397.567 3.669 20 30 GHEDRO C=C(Cn1c(COCC)nnc1N1CCC([NH+](CC)CC)CC1)c1ccccc1 ZINC001359140815 1067705665 /nfs/dbraw/zinc/70/56/65/1067705665.db2.gz NHTCPKDNHBKEOH-UHFFFAOYSA-N 1 0 397.567 3.839 20 30 GHEDRO C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359157831 1067715829 /nfs/dbraw/zinc/71/58/29/1067715829.db2.gz VLLWPZMBUCPKJB-GOSISDBHSA-N 1 0 393.963 3.584 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001359161830 1067717867 /nfs/dbraw/zinc/71/78/67/1067717867.db2.gz SHVWURSLUVSMFC-UHFFFAOYSA-N 1 0 390.535 3.849 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001474595875 1067731427 /nfs/dbraw/zinc/73/14/27/1067731427.db2.gz QAHORVQWBNDCKO-INIZCTEOSA-N 1 0 377.326 3.521 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC001468446270 1067734273 /nfs/dbraw/zinc/73/42/73/1067734273.db2.gz SQNHNDUTNAFGIE-MRXNPFEDSA-N 1 0 394.544 3.526 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359176969 1067736123 /nfs/dbraw/zinc/73/61/23/1067736123.db2.gz VPFAINMAUSOICK-OALUTQOASA-N 1 0 396.583 3.806 20 30 GHEDRO C=CC1CCN(c2nnc(CC3CC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359180547 1067741834 /nfs/dbraw/zinc/74/18/34/1067741834.db2.gz JHORZJDDBAGBFE-OAQYLSRUSA-N 1 0 379.552 3.936 20 30 GHEDRO C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001359199344 1067766649 /nfs/dbraw/zinc/76/66/49/1067766649.db2.gz RWIKYWLIWWGJPF-UYAOXDASSA-N 1 0 395.551 3.983 20 30 GHEDRO C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001359199343 1067766774 /nfs/dbraw/zinc/76/67/74/1067766774.db2.gz RWIKYWLIWWGJPF-QUCCMNQESA-N 1 0 395.551 3.983 20 30 GHEDRO C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359211360 1067784632 /nfs/dbraw/zinc/78/46/32/1067784632.db2.gz AGUVGERQXFLAGU-UHFFFAOYSA-N 1 0 397.523 3.561 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC001468642334 1067802039 /nfs/dbraw/zinc/80/20/39/1067802039.db2.gz UQLBHVWHLVDMDQ-OKZBNKHCSA-N 1 0 394.494 3.890 20 30 GHEDRO C=CCCOCCn1c(C2CCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359227252 1067823967 /nfs/dbraw/zinc/82/39/67/1067823967.db2.gz XMZJCBWMQGWRGQ-UHFFFAOYSA-N 1 0 387.572 3.593 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359233845 1067836751 /nfs/dbraw/zinc/83/67/51/1067836751.db2.gz SVBKCCNPWKKJOM-IRXDYDNUSA-N 1 0 398.511 3.596 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC[NH+]1CCC(C)CC1 ZINC001359244055 1067856999 /nfs/dbraw/zinc/85/69/99/1067856999.db2.gz OEADTJMUKIKSQZ-UHFFFAOYSA-N 1 0 397.567 3.828 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359244981 1067862889 /nfs/dbraw/zinc/86/28/89/1067862889.db2.gz XXEIULZQBZHAIT-OAHLLOKOSA-N 1 0 389.931 3.615 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359255607 1067914553 /nfs/dbraw/zinc/91/45/53/1067914553.db2.gz FAZYGOGADAFPSG-UHFFFAOYSA-N 1 0 392.551 3.773 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001359265027 1067928069 /nfs/dbraw/zinc/92/80/69/1067928069.db2.gz WGYRCRUFNCGMQV-SFHVURJKSA-N 1 0 385.581 3.969 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359269820 1067935432 /nfs/dbraw/zinc/93/54/32/1067935432.db2.gz QSQMPALATHMKRC-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CC[N@H+]1CCC[C@H]1C ZINC001359276708 1067945998 /nfs/dbraw/zinc/94/59/98/1067945998.db2.gz NBVHRQNIVKVTJM-GOSISDBHSA-N 1 0 394.523 3.586 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC001469050673 1067963790 /nfs/dbraw/zinc/96/37/90/1067963790.db2.gz ZMAJAEPDBOZIOO-UHFFFAOYSA-N 1 0 399.457 3.637 20 30 GHEDRO C=CCn1c(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)nnc1C1(c2ccccc2)CCC1 ZINC001359290086 1067989768 /nfs/dbraw/zinc/98/97/68/1067989768.db2.gz HBMWILMEJSLDFI-MOPGFXCFSA-N 1 0 379.552 3.853 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001359311580 1068025908 /nfs/dbraw/zinc/02/59/08/1068025908.db2.gz DFYCUKFTOMSUSH-RTWAWAEBSA-N 1 0 397.567 3.794 20 30 GHEDRO CC(C)c1nnc(N2CCC(CC#N)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001359695137 1068138792 /nfs/dbraw/zinc/13/87/92/1068138792.db2.gz CUCYLLCXWXOMFV-UHFFFAOYSA-N 1 0 398.530 3.803 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359800258 1068194351 /nfs/dbraw/zinc/19/43/51/1068194351.db2.gz FMJIAQLXGZHKMC-LJQANCHMSA-N 1 0 386.588 3.729 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC2(CC2)C1 ZINC001360106670 1068363812 /nfs/dbraw/zinc/36/38/12/1068363812.db2.gz MUBMDQMVSKQKQJ-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO CC(C)[NH+](CCCn1c(CC2CC2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C ZINC001360125938 1068375869 /nfs/dbraw/zinc/37/58/69/1068375869.db2.gz ACWMRWDACGFBND-JOCHJYFZSA-N 1 0 386.588 3.870 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001360468255 1068518039 /nfs/dbraw/zinc/51/80/39/1068518039.db2.gz ZVGYDDZWCOUHJO-MAUKXSAKSA-N 1 0 386.519 3.756 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[NH+]1CCCC1 ZINC001360470968 1068519662 /nfs/dbraw/zinc/51/96/62/1068519662.db2.gz YIMOYINAAOGCGZ-MRXNPFEDSA-N 1 0 378.480 3.525 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001460279368 1068903968 /nfs/dbraw/zinc/90/39/68/1068903968.db2.gz QXNVDMMPOABSFW-KXBFYZLASA-N 1 0 381.439 3.788 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC001460291868 1068910079 /nfs/dbraw/zinc/91/00/79/1068910079.db2.gz ZSGRACJINLIIJB-KRWDZBQOSA-N 1 0 393.462 3.752 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)ccc1Cl ZINC001460330753 1068928537 /nfs/dbraw/zinc/92/85/37/1068928537.db2.gz VLJIHSLMJPSNGW-LJQANCHMSA-N 1 0 390.959 3.557 20 30 GHEDRO CN(CCOCC[N@H+](C)Cc1ccccc1C(C)(C)C#N)C(=O)OC(C)(C)C ZINC001460446082 1068967351 /nfs/dbraw/zinc/96/73/51/1068967351.db2.gz LRSJTGQFEOWMDC-UHFFFAOYSA-N 1 0 389.540 3.803 20 30 GHEDRO N#CCc1cccc2c1CC[N@H+](CCCCCn1nnc(-c3ccccc3)n1)C2 ZINC001460568545 1068999452 /nfs/dbraw/zinc/99/94/52/1068999452.db2.gz LSHCKYMNOAQKJE-UHFFFAOYSA-N 1 0 386.503 3.635 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC001460610378 1069028466 /nfs/dbraw/zinc/02/84/66/1069028466.db2.gz QBVQEYVAPZTFSX-HLLBOEOZSA-N 1 0 392.341 3.635 20 30 GHEDRO COc1ccc(C#N)cc1CN1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001460642576 1069051282 /nfs/dbraw/zinc/05/12/82/1069051282.db2.gz QIJXGEYNOCEJGM-DNQXCXABSA-N 1 0 375.516 3.911 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CCC[N@H+](Cc3ccccc3)CCOCC2)c1 ZINC001460838718 1069211152 /nfs/dbraw/zinc/21/11/52/1069211152.db2.gz WEYVJTJGGBEQDH-UHFFFAOYSA-N 1 0 383.923 3.936 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001460974759 1069308770 /nfs/dbraw/zinc/30/87/70/1069308770.db2.gz RYRHLMBCKQGFLQ-PMACEKPBSA-N 1 0 387.524 3.703 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1 ZINC001478615800 1078935746 /nfs/dbraw/zinc/93/57/46/1078935746.db2.gz PODMVSOIFNZLCI-NRFANRHFSA-N 1 0 379.504 3.634 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC001478686368 1078955919 /nfs/dbraw/zinc/95/59/19/1078955919.db2.gz YBGXRFDPCXIFAN-NRFANRHFSA-N 1 0 383.536 3.543 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001471495754 1073103026 /nfs/dbraw/zinc/10/30/26/1073103026.db2.gz KIJYMHSATCWIPZ-RTWAWAEBSA-N 1 0 381.495 3.869 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)CC1 ZINC001471937577 1073269958 /nfs/dbraw/zinc/26/99/58/1073269958.db2.gz MMRMNYFPJYQISV-UHFFFAOYSA-N 1 0 392.927 3.601 20 30 GHEDRO C#CC[C@@H](CCOC)NC(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001479061709 1079088552 /nfs/dbraw/zinc/08/85/52/1079088552.db2.gz JKHNLQOMGXQXKM-FCHUYYIVSA-N 1 0 385.552 3.501 20 30 GHEDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C)n1-c1ccc(C#N)cc1 ZINC001472350067 1073439107 /nfs/dbraw/zinc/43/91/07/1073439107.db2.gz OFFBXARZPRQAFD-TUNNFDKTSA-N 1 0 390.531 3.768 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc(Cl)nc(C4CCC4)n3)CC2)cc1 ZINC001472645606 1073592925 /nfs/dbraw/zinc/59/29/25/1073592925.db2.gz ASRBUEZBDVFXED-UHFFFAOYSA-N 1 0 381.911 3.981 20 30 GHEDRO Cc1ccc([C@@H](CNc2cc(C#N)c(Br)cn2)[NH+]2CCCC2)o1 ZINC001472680667 1073614535 /nfs/dbraw/zinc/61/45/35/1073614535.db2.gz DBZXHCDYQGMLFE-OAHLLOKOSA-N 1 0 375.270 3.866 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC001473207165 1073859339 /nfs/dbraw/zinc/85/93/39/1073859339.db2.gz ZECZSPDYAZJHIB-HSZRJFAPSA-N 1 0 376.500 3.720 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(C)(C)C ZINC001473335775 1073925875 /nfs/dbraw/zinc/92/58/75/1073925875.db2.gz KLZGDSDVNXNGDX-IRLDBZIGSA-N 1 0 396.531 3.998 20 30 GHEDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC1CCC1 ZINC001473420140 1073956878 /nfs/dbraw/zinc/95/68/78/1073956878.db2.gz FHTGQGIYNHOVLU-CABCVRRESA-N 1 0 389.565 3.556 20 30 GHEDRO CCC1CCC([N@H+](CCO)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC001473445015 1073965531 /nfs/dbraw/zinc/96/55/31/1073965531.db2.gz VXDKLEVGKHDEFN-UHFFFAOYSA-N 1 0 385.552 3.813 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC001473488475 1073986366 /nfs/dbraw/zinc/98/63/66/1073986366.db2.gz LMWKUVMDDKRNIC-JOCHJYFZSA-N 1 0 381.545 3.947 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001473488262 1073986524 /nfs/dbraw/zinc/98/65/24/1073986524.db2.gz GHLXPEHTLZNGMA-APWZRJJASA-N 1 0 377.326 3.953 20 30 GHEDRO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)C1 ZINC001473673638 1074078248 /nfs/dbraw/zinc/07/82/48/1074078248.db2.gz QAIUSJUZULYBBP-FQEVSTJZSA-N 1 0 391.515 3.762 20 30 GHEDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)cc1Br ZINC001473839711 1074168503 /nfs/dbraw/zinc/16/85/03/1074168503.db2.gz HQZDRDXAJHWNEU-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO Cc1ccc(-c2ccccc2C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC001473998080 1074230360 /nfs/dbraw/zinc/23/03/60/1074230360.db2.gz ZLOVLVLQZTYCBQ-GHVJWSGMSA-N 1 0 375.472 3.586 20 30 GHEDRO Cn1cc(CNCc2csc(-c3ccccn3)n2)c(-c2ccc(C#N)cc2)n1 ZINC001474108703 1074266222 /nfs/dbraw/zinc/26/62/22/1074266222.db2.gz DLAAHMGOAYZPIZ-UHFFFAOYSA-N 1 0 386.484 3.767 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccccc3OCC(F)F)CC2)c1 ZINC001474196099 1074289876 /nfs/dbraw/zinc/28/98/76/1074289876.db2.gz JYKMQQHEBAALQX-UHFFFAOYSA-N 1 0 385.458 3.956 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001474306624 1074333787 /nfs/dbraw/zinc/33/37/87/1074333787.db2.gz PKHFNLXIVLDOHC-GOSISDBHSA-N 1 0 397.828 3.817 20 30 GHEDRO C=CCC[C@H](CC)[NH2+]C[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC001474473429 1074422962 /nfs/dbraw/zinc/42/29/62/1074422962.db2.gz QMMLGUYQGJNJIS-HOTGVXAUSA-N 1 0 393.494 3.804 20 30 GHEDRO Cc1cc(CN2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)ccc1C#N ZINC001474605607 1074480404 /nfs/dbraw/zinc/48/04/04/1074480404.db2.gz PAQGAFMGMAWPGE-UHFFFAOYSA-N 1 0 379.426 3.776 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001493649230 1079285924 /nfs/dbraw/zinc/28/59/24/1079285924.db2.gz AMKYXPOEINWOID-MSOLQXFVSA-N 1 0 383.544 3.666 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001493649257 1079285984 /nfs/dbraw/zinc/28/59/84/1079285984.db2.gz AMKYXPOEINWOID-ROUUACIJSA-N 1 0 383.544 3.666 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001493696974 1079288459 /nfs/dbraw/zinc/28/84/59/1079288459.db2.gz LVOBJCBWQTXBFE-RBUKOAKNSA-N 1 0 390.535 3.703 20 30 GHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001474937152 1074640783 /nfs/dbraw/zinc/64/07/83/1074640783.db2.gz AWOHBOIFMUHCSO-INIZCTEOSA-N 1 0 395.956 3.535 20 30 GHEDRO CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001493909886 1079307523 /nfs/dbraw/zinc/30/75/23/1079307523.db2.gz UAZFBNYIZCYGLO-LJQANCHMSA-N 1 0 392.551 3.785 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C(F)(F)F)c1 ZINC001476195600 1075101746 /nfs/dbraw/zinc/10/17/46/1075101746.db2.gz XPUSRIISZKPHCZ-INIZCTEOSA-N 1 0 386.337 3.564 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC001476200793 1075102946 /nfs/dbraw/zinc/10/29/46/1075102946.db2.gz AXBPQHOBYZBMAG-WOJBJXKFSA-N 1 0 391.475 3.884 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 ZINC001476307496 1075121694 /nfs/dbraw/zinc/12/16/94/1075121694.db2.gz ULYDRGCVMGOBJK-HXUWFJFHSA-N 1 0 396.491 3.778 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001501975871 1079628891 /nfs/dbraw/zinc/62/88/91/1079628891.db2.gz WTERQIKIMGZPKI-IERDGZPVSA-N 1 0 384.528 3.707 20 30 GHEDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001560182415 1126208520 /nfs/dbraw/zinc/20/85/20/1126208520.db2.gz DBLUJMZCKFRISR-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830860233 600752771 /nfs/dbraw/zinc/75/27/71/600752771.db2.gz OXUULEXLOCTBGK-JOCHJYFZSA-N 1 0 389.455 3.699 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C1 ZINC000828266071 601300459 /nfs/dbraw/zinc/30/04/59/601300459.db2.gz ODUCCGQMRWUZIT-HTAPYJJXSA-N 1 0 377.488 3.706 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824554226 609151420 /nfs/dbraw/zinc/15/14/20/609151420.db2.gz NTGMWKNCJUAAFF-LBPRGKRZSA-N 1 0 389.356 3.727 20 30 GHEDRO C=CC[NH+]1CCN(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc32)CC1 ZINC001165032178 721870848 /nfs/dbraw/zinc/87/08/48/721870848.db2.gz KQEJEROOVKAMRJ-UHFFFAOYSA-N 1 0 395.488 3.883 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000580947510 837433725 /nfs/dbraw/zinc/43/37/25/837433725.db2.gz DLBCQLODEOFQHS-OAHLLOKOSA-N 1 0 380.922 3.714 20 30 GHEDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)[C@@H]2C1 ZINC000180816575 837573089 /nfs/dbraw/zinc/57/30/89/837573089.db2.gz QKDFURNAHKRFMN-GMKZXUHWSA-N 1 0 392.499 3.906 20 30 GHEDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177033181 837723928 /nfs/dbraw/zinc/72/39/28/837723928.db2.gz SAAJCRBZTARPQN-UHFFFAOYSA-N 1 0 384.882 3.859 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](c4ccncc4)C3)sc2C1 ZINC000577505435 834398069 /nfs/dbraw/zinc/39/80/69/834398069.db2.gz IIRGSPPHXHJESM-RDJZCZTQSA-N 1 0 394.544 3.958 20 30 GHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046155820 834465277 /nfs/dbraw/zinc/46/52/77/834465277.db2.gz UGJNZFHWOYCRNE-KRWDZBQOSA-N 1 0 393.487 3.816 20 30 GHEDRO Cc1ccc(O[C@@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278765861 834559024 /nfs/dbraw/zinc/55/90/24/834559024.db2.gz XUENJIRCFMMRIS-SFHVURJKSA-N 1 0 375.476 3.724 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245873173 834749852 /nfs/dbraw/zinc/74/98/52/834749852.db2.gz JRAKIUNULOHSGW-CEWLAPEOSA-N 1 0 378.605 3.710 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000178936844 834760299 /nfs/dbraw/zinc/76/02/99/834760299.db2.gz GKWNRFBOJAYUAK-MRXNPFEDSA-N 1 0 398.425 3.783 20 30 GHEDRO O=C(NC1CC1)c1cccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000329833367 834850120 /nfs/dbraw/zinc/85/01/20/834850120.db2.gz KQMRCKIDYIWWND-UHFFFAOYSA-N 1 0 384.524 3.518 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OCC(C)C ZINC000430186210 834854912 /nfs/dbraw/zinc/85/49/12/834854912.db2.gz MGAJWIPTDGPCPD-IBGZPJMESA-N 1 0 381.476 3.650 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)Cc3cn4ccccc4n3)CCCCC2)CCO1 ZINC000329347803 834884342 /nfs/dbraw/zinc/88/43/42/834884342.db2.gz CNCGEQAHCVFPPA-UHFFFAOYSA-N 1 0 384.524 3.647 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)s1 ZINC000176969408 837826229 /nfs/dbraw/zinc/82/62/29/837826229.db2.gz JOABLWDHFSPADD-UHFFFAOYSA-N 1 0 377.473 3.626 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157564941 834956233 /nfs/dbraw/zinc/95/62/33/834956233.db2.gz NZVMSSNAGHZMTG-FUHWJXTLSA-N 1 0 381.524 3.933 20 30 GHEDRO N#C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC12CCCC2 ZINC000583733614 834958338 /nfs/dbraw/zinc/95/83/38/834958338.db2.gz LMCKHZKUFVSOFJ-XLIONFOSSA-N 1 0 391.437 3.870 20 30 GHEDRO C=CCN(CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000108975244 834959117 /nfs/dbraw/zinc/95/91/17/834959117.db2.gz OUYRONKLKBHRDS-UHFFFAOYSA-N 1 0 377.481 3.686 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cnc1N1CCCC[C@H]1C ZINC000329403119 834982667 /nfs/dbraw/zinc/98/26/67/834982667.db2.gz YRGCKTIZSXRVGT-UYAOXDASSA-N 1 0 385.556 3.875 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CCCn2ccnc2)c1C#N ZINC000181094653 837830657 /nfs/dbraw/zinc/83/06/57/837830657.db2.gz UMDXVYXMQMHUKK-UHFFFAOYSA-N 1 0 396.539 3.639 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H](O)C2CC2)cc1OCC ZINC000685461182 835027728 /nfs/dbraw/zinc/02/77/28/835027728.db2.gz RNCZFCGAFDFTAE-INIZCTEOSA-N 1 0 384.314 3.615 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2cnccc2C)c1C#N ZINC000611939664 835085630 /nfs/dbraw/zinc/08/56/30/835085630.db2.gz TZVYHBZSTJZYLN-MRXNPFEDSA-N 1 0 391.475 3.611 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2C2CC2)sc2c1CCCC2 ZINC000577934410 835087739 /nfs/dbraw/zinc/08/77/39/835087739.db2.gz VZSPDHQEJYWAIZ-MRXNPFEDSA-N 1 0 375.563 3.655 20 30 GHEDRO C=CCn1c(COCC)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000685542180 835141536 /nfs/dbraw/zinc/14/15/36/835141536.db2.gz BFLBSCCLIQMKNK-AZUAARDMSA-N 1 0 383.540 3.662 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000685547910 835151391 /nfs/dbraw/zinc/15/13/91/835151391.db2.gz ZGSLTCJJNGILOB-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC3)c2c1 ZINC000066436741 835256019 /nfs/dbraw/zinc/25/60/19/835256019.db2.gz CCDGDTKRDXUWBK-MWTRTKDXSA-N 1 0 396.535 3.799 20 30 GHEDRO COCC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(C#N)cc1 ZINC000157666601 835323506 /nfs/dbraw/zinc/32/35/06/835323506.db2.gz SCLVHFDAFKTXGH-UHFFFAOYSA-N 1 0 396.878 3.953 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000648202997 835447863 /nfs/dbraw/zinc/44/78/63/835447863.db2.gz JWNFWXTWBSOWSM-QFIPXVFZSA-N 1 0 378.516 3.822 20 30 GHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508818460 844064177 /nfs/dbraw/zinc/06/41/77/844064177.db2.gz SRNXPYDNZOPCOF-SFHVURJKSA-N 1 0 383.515 3.891 20 30 GHEDRO C=CCCCCCN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CC(C)C ZINC000611806006 835675198 /nfs/dbraw/zinc/67/51/98/835675198.db2.gz CHZFIEGCYZPPKB-MOPGFXCFSA-N 1 0 375.561 3.652 20 30 GHEDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000048125878 835713997 /nfs/dbraw/zinc/71/39/97/835713997.db2.gz SIUCIRYOERKIPP-INIZCTEOSA-N 1 0 393.491 3.662 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179468922 835734124 /nfs/dbraw/zinc/73/41/24/835734124.db2.gz VXFVIVXCXCLXSN-FGZHOGPDSA-N 1 0 376.504 3.924 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 ZINC000102717903 835803927 /nfs/dbraw/zinc/80/39/27/835803927.db2.gz IJPZAJXOBUUEOK-NRFANRHFSA-N 1 0 389.455 3.763 20 30 GHEDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278713296 835862730 /nfs/dbraw/zinc/86/27/30/835862730.db2.gz SAAQOIVDEAWUFZ-UHFFFAOYSA-N 1 0 388.519 3.995 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000176821648 835865582 /nfs/dbraw/zinc/86/55/82/835865582.db2.gz YWRRLEXHBRCDCV-UHFFFAOYSA-N 1 0 386.503 3.684 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000179632081 835902815 /nfs/dbraw/zinc/90/28/15/835902815.db2.gz BHDYBTTWJTYHPI-ZDUSSCGKSA-N 1 0 387.505 3.852 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccc(C#N)cc1 ZINC000134776261 835957834 /nfs/dbraw/zinc/95/78/34/835957834.db2.gz BCNVZUWALIYBKC-QZTJIDSGSA-N 1 0 376.504 3.514 20 30 GHEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000510159084 836074521 /nfs/dbraw/zinc/07/45/21/836074521.db2.gz KXVHZWHLBUWSHR-JOCHJYFZSA-N 1 0 382.529 3.776 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](Cc3ccncc3)C1)CCCC2 ZINC000612432180 836215323 /nfs/dbraw/zinc/21/53/23/836215323.db2.gz KILMOEQGPILTHS-QGZVFWFLSA-N 1 0 394.544 3.787 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1F ZINC000365175888 836247840 /nfs/dbraw/zinc/24/78/40/836247840.db2.gz GTJXGLBDQCBFPZ-XMSQKQJNSA-N 1 0 389.434 3.696 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000065930016 836252290 /nfs/dbraw/zinc/25/22/90/836252290.db2.gz PCBDBPXBXCVEPB-UHFFFAOYSA-N 1 0 393.531 3.825 20 30 GHEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000613388556 836257441 /nfs/dbraw/zinc/25/74/41/836257441.db2.gz BHZWKUPMIPNIPW-BEFAXECRSA-N 1 0 397.544 3.581 20 30 GHEDRO C[C@@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)[N@@H+]1CCc2sccc2C1 ZINC000610246109 836263469 /nfs/dbraw/zinc/26/34/69/836263469.db2.gz BMYBVJSTEVJBKM-LBPRGKRZSA-N 1 0 384.455 3.727 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000582355883 836267783 /nfs/dbraw/zinc/26/77/83/836267783.db2.gz IJYJAEKNJUURJY-SIXWZSSISA-N 1 0 377.271 3.750 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1cccc([N+](=O)[O-])c1 ZINC000548934797 836303991 /nfs/dbraw/zinc/30/39/91/836303991.db2.gz SSAURHFDMLRBMC-UHFFFAOYSA-N 1 0 398.488 3.520 20 30 GHEDRO CC(C)(C)N1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000236648786 836338476 /nfs/dbraw/zinc/33/84/76/836338476.db2.gz YPWZXSCEKDLRRJ-FQEVSTJZSA-N 1 0 377.488 3.626 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 ZINC000613426423 836357837 /nfs/dbraw/zinc/35/78/37/836357837.db2.gz GQNDTOUKGIHZDT-UHFFFAOYSA-N 1 0 378.520 3.888 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C/C=C/c3ccccc3F)CC2)cc1 ZINC000175185182 836711397 /nfs/dbraw/zinc/71/13/97/836711397.db2.gz CUHVLKZDJMLXML-ZZXKWVIFSA-N 1 0 377.463 3.835 20 30 GHEDRO Cc1nn(C)c(OCC(F)(F)F)c1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000180030941 836773223 /nfs/dbraw/zinc/77/32/23/836773223.db2.gz XBMXHHPJQDSQQY-UHFFFAOYSA-N 1 0 378.398 3.706 20 30 GHEDRO Cc1cc(C#N)c(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)nc1C ZINC001167169245 836774522 /nfs/dbraw/zinc/77/45/22/836774522.db2.gz JCLOLMKUDQBTER-UHFFFAOYSA-N 1 0 382.265 3.584 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180223239 836776005 /nfs/dbraw/zinc/77/60/05/836776005.db2.gz VDAORNDRNWHDDK-NRFANRHFSA-N 1 0 389.478 3.856 20 30 GHEDRO COc1ccc([C@@H](C)CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000175589203 836902363 /nfs/dbraw/zinc/90/23/63/836902363.db2.gz QTCFRWCULCJYND-SFHVURJKSA-N 1 0 379.504 3.651 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000066175150 836907334 /nfs/dbraw/zinc/90/73/34/836907334.db2.gz JIBFCOGZGCNRLS-JOCHJYFZSA-N 1 0 378.520 3.651 20 30 GHEDRO C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000180274088 836949166 /nfs/dbraw/zinc/94/91/66/836949166.db2.gz VKBYLCDYWUPUPK-LJQANCHMSA-N 1 0 387.531 3.959 20 30 GHEDRO COc1cccc([C@@H](C)N2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000728931941 844220298 /nfs/dbraw/zinc/22/02/98/844220298.db2.gz HHNNLTJLRYXSDQ-LJQANCHMSA-N 1 0 379.504 3.715 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 ZINC000170946205 837001267 /nfs/dbraw/zinc/00/12/67/837001267.db2.gz IXPHEDWGNXIIPI-UHFFFAOYSA-N 1 0 394.563 3.556 20 30 GHEDRO COC(=O)[C@H](c1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510250620 837009036 /nfs/dbraw/zinc/00/90/36/837009036.db2.gz WGFBVRRPZBCBLY-NRFANRHFSA-N 1 0 397.906 3.634 20 30 GHEDRO COC(=O)c1ccc2[nH]c(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)nc2c1 ZINC001167241136 837009993 /nfs/dbraw/zinc/00/99/93/837009993.db2.gz RAKOQSHLVMULOV-UHFFFAOYSA-N 1 0 376.460 3.879 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000510252689 837033828 /nfs/dbraw/zinc/03/38/28/837033828.db2.gz CAJFVCQWOQOKSF-QGZVFWFLSA-N 1 0 387.867 3.908 20 30 GHEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000027488037 837054323 /nfs/dbraw/zinc/05/43/23/837054323.db2.gz IWFUBMZGOGJXHG-CRAIPNDOSA-O 1 0 398.508 3.989 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC[C@@H]2CCCO2)c1 ZINC000028781966 837151133 /nfs/dbraw/zinc/15/11/33/837151133.db2.gz NZGIRZIVTDFRKM-KRWDZBQOSA-O 1 0 389.928 3.643 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180350596 837168853 /nfs/dbraw/zinc/16/88/53/837168853.db2.gz PEBIVKYEOWMENF-HXUWFJFHSA-N 1 0 389.478 3.856 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)ccc1OCC(C)C ZINC000180086581 837236785 /nfs/dbraw/zinc/23/67/85/837236785.db2.gz UONFATSYWLUSKM-INIZCTEOSA-N 1 0 381.476 3.891 20 30 GHEDRO N#CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000029939024 837274116 /nfs/dbraw/zinc/27/41/16/837274116.db2.gz RCLPICVXWVCAPP-OJLWIZQOSA-N 1 0 379.460 3.539 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000376455358 837358259 /nfs/dbraw/zinc/35/82/59/837358259.db2.gz QFVPOGQPWYNVFI-JOCHJYFZSA-N 1 0 391.556 3.810 20 30 GHEDRO C=C(C)Cn1c(COC)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000642724042 837361291 /nfs/dbraw/zinc/36/12/91/837361291.db2.gz FXFALSLJWRBQMY-AZUAARDMSA-N 1 0 383.540 3.662 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC2)c1 ZINC000580472114 837363723 /nfs/dbraw/zinc/36/37/23/837363723.db2.gz DSVULGNMGPCXLB-UHFFFAOYSA-N 1 0 391.490 3.904 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000613179173 837371486 /nfs/dbraw/zinc/37/14/86/837371486.db2.gz OQERLCLDWHVSSJ-IFMALSPDSA-N 1 0 390.531 3.898 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000377852478 838061641 /nfs/dbraw/zinc/06/16/41/838061641.db2.gz QQXAPPFXZNMLGH-QHCPKHFHSA-N 1 0 382.479 3.935 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000549796167 844292938 /nfs/dbraw/zinc/29/29/38/844292938.db2.gz YKEPWMDKCWLRKE-IAGOWNOFSA-N 1 0 376.504 3.670 20 30 GHEDRO CO[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@H](C[NH3+])C1 ZINC000415806098 838131343 /nfs/dbraw/zinc/13/13/43/838131343.db2.gz NSRJPIBYLKAUJD-ZWKOTPCHSA-N 1 0 396.516 3.679 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C\c2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000255126235 838142094 /nfs/dbraw/zinc/14/20/94/838142094.db2.gz ZECKVPLMASFIJU-TUYSUELWSA-N 1 0 384.520 3.579 20 30 GHEDRO N#Cc1ccc(C2(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)cc1 ZINC000189146658 838205175 /nfs/dbraw/zinc/20/51/75/838205175.db2.gz OZIUYTJKKRWSHZ-UHFFFAOYSA-N 1 0 391.540 3.820 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(F)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000189241099 838248962 /nfs/dbraw/zinc/24/89/62/838248962.db2.gz QNJVQMHIUQICBM-KRWDZBQOSA-N 1 0 379.357 3.749 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000121074306 838282158 /nfs/dbraw/zinc/28/21/58/838282158.db2.gz GLDWFGREHHUOHY-QGZVFWFLSA-N 1 0 397.441 3.580 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000189596861 838303953 /nfs/dbraw/zinc/30/39/53/838303953.db2.gz GLZHGNOFQAMDQT-PKOBYXMFSA-N 1 0 392.425 3.532 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000189596903 838304178 /nfs/dbraw/zinc/30/41/78/838304178.db2.gz GLZHGNOFQAMDQT-IEBWSBKVSA-N 1 0 392.425 3.532 20 30 GHEDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728269295 838363846 /nfs/dbraw/zinc/36/38/46/838363846.db2.gz GZWAMUCRYGVUEG-DLBZAZTESA-N 1 0 378.520 3.816 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CC(C)(C)C#N)CC1 ZINC000378079208 838394232 /nfs/dbraw/zinc/39/42/32/838394232.db2.gz WUTVWUHIRUUZRW-UHFFFAOYSA-N 1 0 392.341 3.812 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000178618296 838426451 /nfs/dbraw/zinc/42/64/51/838426451.db2.gz LWKRALFZXLOZII-QHCPKHFHSA-N 1 0 390.531 3.992 20 30 GHEDRO C=CC[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000187959558 838436871 /nfs/dbraw/zinc/43/68/71/838436871.db2.gz XQLIKIGZVZCPFT-JOCHJYFZSA-N 1 0 391.515 3.811 20 30 GHEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179777493 838438825 /nfs/dbraw/zinc/43/88/25/838438825.db2.gz DFMAONMSPLLMAA-IBGZPJMESA-N 1 0 375.476 3.791 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189886713 838438884 /nfs/dbraw/zinc/43/88/84/838438884.db2.gz SALUMDSSXARXCI-VGSWGCGISA-N 1 0 385.471 3.590 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000416049258 838461489 /nfs/dbraw/zinc/46/14/89/838461489.db2.gz QXYYWHLIZDIENX-ZJUUUORDSA-N 1 0 395.706 3.661 20 30 GHEDRO C[C@H]1CC[C@@H](Oc2c(Br)cc(Br)cc2C=NO)C[NH2+]1 ZINC001218403991 838485677 /nfs/dbraw/zinc/48/56/77/838485677.db2.gz YWHIIPKHZVVEQC-GZMMTYOYSA-N 1 0 392.091 3.539 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC000659584900 838518260 /nfs/dbraw/zinc/51/82/60/838518260.db2.gz DGHULTCIBSAYKE-SFTDATJTSA-N 1 0 399.560 3.990 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000048149532 844341698 /nfs/dbraw/zinc/34/16/98/844341698.db2.gz CLYPIDGCFGFCAU-OAQYLSRUSA-N 1 0 394.519 3.589 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000103500227 838559039 /nfs/dbraw/zinc/55/90/39/838559039.db2.gz BNXDFPTZQQEAED-SJORKVTESA-N 1 0 389.565 3.807 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120166413 838581686 /nfs/dbraw/zinc/58/16/86/838581686.db2.gz ZGBZIZXNDWIKSM-INIZCTEOSA-N 1 0 375.881 3.755 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175862837 838601523 /nfs/dbraw/zinc/60/15/23/838601523.db2.gz IDICQNBNEHVZDX-RTBURBONSA-N 1 0 383.517 3.927 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000610349750 838605614 /nfs/dbraw/zinc/60/56/14/838605614.db2.gz VGLGFHYRAOWRIT-PGRDOPGGSA-N 1 0 378.520 3.872 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c(C(F)(F)F)c1 ZINC000414536774 838614253 /nfs/dbraw/zinc/61/42/53/838614253.db2.gz XZXNBYWNKLSZJN-QGZVFWFLSA-N 1 0 377.341 3.611 20 30 GHEDRO CC[C@@](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)(C(=O)OC)c1ccccc1 ZINC000414582673 838644435 /nfs/dbraw/zinc/64/44/35/838644435.db2.gz HDAYWKYRGFZEKB-DEOSSOPVSA-N 1 0 391.515 3.638 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001125870201 838689765 /nfs/dbraw/zinc/68/97/65/838689765.db2.gz BWTRKVGSXSMYCC-UHFFFAOYSA-N 1 0 393.384 3.519 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC[C@H]2CCOC2)c1 ZINC000136520912 838779160 /nfs/dbraw/zinc/77/91/60/838779160.db2.gz XJKACKXMCJZJBC-MRXNPFEDSA-O 1 0 395.504 3.594 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000415083782 839171734 /nfs/dbraw/zinc/17/17/34/839171734.db2.gz NUVYKVXTLZVSSY-RDTXWAMCSA-N 1 0 380.448 3.560 20 30 GHEDRO N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000580298242 839190552 /nfs/dbraw/zinc/19/05/52/839190552.db2.gz GXIAGNMSPYRRGA-VQFNDLOPSA-N 1 0 384.892 3.702 20 30 GHEDRO COc1ccc(C[NH2+]CCN2CCCc3ccccc32)cc1OCCCC#N ZINC000147218962 844418244 /nfs/dbraw/zinc/41/82/44/844418244.db2.gz GVRBRWVZNJXPOW-UHFFFAOYSA-N 1 0 379.504 3.920 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CCCOC(C)C)c1C#N ZINC000565690020 839283676 /nfs/dbraw/zinc/28/36/76/839283676.db2.gz NEHRPAWYFOZKAA-UHFFFAOYSA-N 1 0 382.508 3.651 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511567702 839439431 /nfs/dbraw/zinc/43/94/31/839439431.db2.gz QOXGSVIUMYTZCL-QZTJIDSGSA-N 1 0 383.414 3.680 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)C1 ZINC000549860515 844460117 /nfs/dbraw/zinc/46/01/17/844460117.db2.gz MSGXLDXWHSAFAE-ZBFHGGJFSA-N 1 0 397.416 3.987 20 30 GHEDRO CSC1(CNC(=O)c2cn(CCCC#N)c3ccccc23)CC[NH+](C)CC1 ZINC000580505413 839707658 /nfs/dbraw/zinc/70/76/58/839707658.db2.gz RMHTYCZDMPSFIT-UHFFFAOYSA-N 1 0 384.549 3.502 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)s1 ZINC000128336386 839737014 /nfs/dbraw/zinc/73/70/14/839737014.db2.gz AGEWXIJNUWQWIP-UHFFFAOYSA-N 1 0 392.322 3.509 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000549287852 839828662 /nfs/dbraw/zinc/82/86/62/839828662.db2.gz ONBONNWSUXAVCG-OTWHNJEPSA-N 1 0 389.588 3.549 20 30 GHEDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000548125736 839991783 /nfs/dbraw/zinc/99/17/83/839991783.db2.gz OGDADQLXLBMVQM-IBGZPJMESA-N 1 0 381.476 3.677 20 30 GHEDRO CN1CCC[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c2ccccc21 ZINC000566665304 840141608 /nfs/dbraw/zinc/14/16/08/840141608.db2.gz MQPYOGLUZSGNEF-SFHVURJKSA-N 1 0 394.544 3.998 20 30 GHEDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728306894 840206289 /nfs/dbraw/zinc/20/62/89/840206289.db2.gz BKFCBMKIVNEXHB-UHFFFAOYSA-N 1 0 378.520 3.960 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2C2CC2)cc1 ZINC000566386587 840251298 /nfs/dbraw/zinc/25/12/98/840251298.db2.gz GQBGQDWYHFJOQK-UHFFFAOYSA-N 1 0 398.514 3.516 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC001167741150 840403396 /nfs/dbraw/zinc/40/33/96/840403396.db2.gz PNKGBTCRXYCHKD-AWEZNQCLSA-N 1 0 376.407 3.754 20 30 GHEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001167439420 840468865 /nfs/dbraw/zinc/46/88/65/840468865.db2.gz WOCGVHAKVWKQDI-HHXXYDBFSA-N 1 0 378.438 3.826 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(c3ccc4cc(C#N)ccc4n3)CC2)C[C@@H](C)O1 ZINC000092920034 840492410 /nfs/dbraw/zinc/49/24/10/840492410.db2.gz NBFBMWRHUBPRRN-QZTJIDSGSA-N 1 0 378.520 3.822 20 30 GHEDRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000156812114 840699518 /nfs/dbraw/zinc/69/95/18/840699518.db2.gz CNTZWGIVYWUUTP-QGZVFWFLSA-N 1 0 382.483 3.840 20 30 GHEDRO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261700831 844591302 /nfs/dbraw/zinc/59/13/02/844591302.db2.gz JEHIHENICYSPHL-OAHLLOKOSA-N 1 0 389.931 3.569 20 30 GHEDRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CCC#N)CC1 ZINC000581308152 841053737 /nfs/dbraw/zinc/05/37/37/841053737.db2.gz YOXUUPGLKHTLBH-OAHLLOKOSA-N 1 0 392.341 3.812 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660676216 841089533 /nfs/dbraw/zinc/08/95/33/841089533.db2.gz PTEBAKFZBKQMNK-IBGZPJMESA-N 1 0 397.588 3.905 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000162471822 841189612 /nfs/dbraw/zinc/18/96/12/841189612.db2.gz UWDOCXOBRIXNPN-AZUAARDMSA-N 1 0 388.556 3.756 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC[C@H]2CCCO2)c1 ZINC000027072427 841229005 /nfs/dbraw/zinc/22/90/05/841229005.db2.gz MKSCSOZRUHCCOL-QGZVFWFLSA-O 1 0 395.504 3.736 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2ccc(Cl)cc2Cl)=[NH+]C)C1 ZINC000261781374 844629581 /nfs/dbraw/zinc/62/95/81/844629581.db2.gz QCOXWQMAZWGIIX-OWWKKJFISA-N 1 0 390.380 3.738 20 30 GHEDRO N#Cc1csc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000175905826 841770904 /nfs/dbraw/zinc/77/09/04/841770904.db2.gz XGGOKMUOJCSHQK-UHFFFAOYSA-N 1 0 389.908 3.546 20 30 GHEDRO C=C[C@@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1)c1ccccc1 ZINC000662870238 841846516 /nfs/dbraw/zinc/84/65/16/841846516.db2.gz AKLKFWZFWPUFBF-LRQRDZAKSA-N 1 0 382.479 3.756 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000329285547 861246476 /nfs/dbraw/zinc/24/64/76/861246476.db2.gz GNBQVFWLFDLVDC-PXNSSMCTSA-N 1 0 386.540 3.902 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)C1CC1 ZINC000477241739 841928968 /nfs/dbraw/zinc/92/89/68/841928968.db2.gz WFLJJEIRFLICBB-QFIPXVFZSA-N 1 0 393.556 3.818 20 30 GHEDRO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCCOc2cccc(C#N)c2)cn1 ZINC000477271542 841931936 /nfs/dbraw/zinc/93/19/36/841931936.db2.gz CYGILZQDDAISNQ-JOCHJYFZSA-N 1 0 378.451 3.921 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000549557224 841989140 /nfs/dbraw/zinc/98/91/40/841989140.db2.gz ULQMKAVQFGBRDH-DYVFJYSZSA-N 1 0 388.393 3.537 20 30 GHEDRO CC[C@H](C)[N@@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000171024174 861260706 /nfs/dbraw/zinc/26/07/06/861260706.db2.gz ZJUPALMHRNIOES-SFHVURJKSA-N 1 0 390.487 3.581 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC[C@H]2c2ccnn2C)CC1 ZINC000329306795 861266583 /nfs/dbraw/zinc/26/65/83/861266583.db2.gz BGZPLBBZXBOMPZ-FQEVSTJZSA-N 1 0 375.561 3.619 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000581722796 842093908 /nfs/dbraw/zinc/09/39/08/842093908.db2.gz BYQPNUODLFGZBU-LJQANCHMSA-N 1 0 382.552 3.939 20 30 GHEDRO C=C(C)[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccc(F)c(F)c1 ZINC000637056646 842098701 /nfs/dbraw/zinc/09/87/01/842098701.db2.gz WJEVNDOCZGUCPJ-IBGZPJMESA-N 1 0 389.450 3.867 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000541632679 842136359 /nfs/dbraw/zinc/13/63/59/842136359.db2.gz JRKSQMFRZHLURW-LSDHHAIUSA-N 1 0 389.421 3.975 20 30 GHEDRO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543944757 842191373 /nfs/dbraw/zinc/19/13/73/842191373.db2.gz UZVUHWNJCOKSOD-GOSISDBHSA-N 1 0 394.519 3.506 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418578042 842228134 /nfs/dbraw/zinc/22/81/34/842228134.db2.gz IVGXGVBJWLXCAE-LEWJYISDSA-N 1 0 380.467 3.679 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000569936282 842241300 /nfs/dbraw/zinc/24/13/00/842241300.db2.gz CZUUABPSVRTFKT-VXNXHJTFSA-N 1 0 376.500 3.977 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](CCCCC3(C#N)CCC3)CC2)C1 ZINC000933465372 842242812 /nfs/dbraw/zinc/24/28/12/842242812.db2.gz QKVPEJSNNRIEJN-UHFFFAOYSA-N 1 0 391.556 3.952 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000581840293 842268613 /nfs/dbraw/zinc/26/86/13/842268613.db2.gz CJYFLMOKOQCLGZ-IRXDYDNUSA-N 1 0 379.426 3.640 20 30 GHEDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1Oc1ccccc1 ZINC000585764907 842275915 /nfs/dbraw/zinc/27/59/15/842275915.db2.gz ZRVZGAFCGCVLCD-RTWAWAEBSA-N 1 0 376.504 3.758 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)CC2)nc1 ZINC000585794480 842314500 /nfs/dbraw/zinc/31/45/00/842314500.db2.gz ZTVIUDMYKAVPTB-JOCHJYFZSA-N 1 0 388.515 3.914 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000329339031 861300530 /nfs/dbraw/zinc/30/05/30/861300530.db2.gz NLIDVUJRNDAKEM-KVZIAJEVSA-N 1 0 396.539 3.643 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000603889875 861331773 /nfs/dbraw/zinc/33/17/73/861331773.db2.gz BGCFLQGDKUVIDO-UXHICEINSA-N 1 0 375.472 3.659 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000248977733 842716764 /nfs/dbraw/zinc/71/67/64/842716764.db2.gz FBXJHEFVFPHQGF-ACRUOGEOSA-N 1 0 395.890 3.827 20 30 GHEDRO C[C@@H](N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)cc1Cl ZINC000571477970 842720100 /nfs/dbraw/zinc/72/01/00/842720100.db2.gz VTAVGVOZZBQHTK-VGOFRKELSA-N 1 0 382.939 3.851 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](c2ccccc2OC)C1)C(C)C ZINC000606641451 842824171 /nfs/dbraw/zinc/82/41/71/842824171.db2.gz ANLLGEGMLISOCZ-PZJWPPBQSA-N 1 0 385.552 3.893 20 30 GHEDRO C=C[C@H](CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000650538555 842834026 /nfs/dbraw/zinc/83/40/26/842834026.db2.gz MWAWGMOEMXRRGK-YFNKSVMNSA-N 1 0 390.527 3.848 20 30 GHEDRO COC1CC[NH+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000610572357 842839392 /nfs/dbraw/zinc/83/93/92/842839392.db2.gz NKSCSDODIADSIO-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO COC1CC[NH+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000610573032 842847825 /nfs/dbraw/zinc/84/78/25/842847825.db2.gz MSDINEXOYNUMDB-UHFFFAOYSA-N 1 0 395.528 3.550 20 30 GHEDRO CCC[N@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000549645535 842880450 /nfs/dbraw/zinc/88/04/50/842880450.db2.gz XUMHRRRPMSDWMA-MRXNPFEDSA-N 1 0 385.458 3.796 20 30 GHEDRO COc1cc2c(c(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)c1)O[C@H](C)C2 ZINC000510525742 842904963 /nfs/dbraw/zinc/90/49/63/842904963.db2.gz WIXTWGUNMXTSAQ-MRXNPFEDSA-N 1 0 378.472 3.934 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000610577407 842910967 /nfs/dbraw/zinc/91/09/67/842910967.db2.gz HYNWBFDAKYZZKT-KRWDZBQOSA-N 1 0 383.521 3.601 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H]1COc2ccccc21 ZINC000163049756 842954167 /nfs/dbraw/zinc/95/41/67/842954167.db2.gz PABODYCQNODVKE-GQIGUUNPSA-N 1 0 381.451 3.615 20 30 GHEDRO N#Cc1ccc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(F)c1 ZINC000510596444 843015778 /nfs/dbraw/zinc/01/57/78/843015778.db2.gz JWBQGLRCLODLCP-NRFANRHFSA-N 1 0 379.479 3.801 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000500441391 843149109 /nfs/dbraw/zinc/14/91/09/843149109.db2.gz LKYXAKKEQLLDGO-GOSISDBHSA-N 1 0 375.582 3.602 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)ccc1OC ZINC000512234959 843173803 /nfs/dbraw/zinc/17/38/03/843173803.db2.gz VBMAWOADCSZDAG-HXUWFJFHSA-N 1 0 380.488 3.935 20 30 GHEDRO Cc1ccc(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1C#N ZINC000599619874 861390720 /nfs/dbraw/zinc/39/07/20/861390720.db2.gz QYPQACYIUZUCBK-UHFFFAOYSA-N 1 0 380.492 3.598 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)CCC[NH2+]1 ZINC000662460014 843291991 /nfs/dbraw/zinc/29/19/91/843291991.db2.gz FFQZXOXAKKCYOU-IBGZPJMESA-N 1 0 388.468 3.544 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1OC ZINC000091687815 843328376 /nfs/dbraw/zinc/32/83/76/843328376.db2.gz XTSKXHPUCDVHBA-UHFFFAOYSA-N 1 0 395.503 3.814 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[NH2+]1 ZINC000662562562 843405770 /nfs/dbraw/zinc/40/57/70/843405770.db2.gz OSMAKCXYZFZDIE-JOYOIKCWSA-N 1 0 386.311 3.846 20 30 GHEDRO COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000512339494 843446181 /nfs/dbraw/zinc/44/61/81/843446181.db2.gz WMRDHTLLKZMXSE-NLMIPJBGSA-N 1 0 389.499 3.893 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)CCC[NH2+]1 ZINC000662674109 843506482 /nfs/dbraw/zinc/50/64/82/843506482.db2.gz VNCUTRJLZDDRMI-NRFANRHFSA-N 1 0 399.926 3.962 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000563003408 843522188 /nfs/dbraw/zinc/52/21/88/843522188.db2.gz RKWUMKRPMMVSLX-BHIYHBOVSA-N 1 0 390.405 3.853 20 30 GHEDRO CSc1ccc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599634044 861426108 /nfs/dbraw/zinc/42/61/08/861426108.db2.gz LBNHLGBDXZJJES-UHFFFAOYSA-N 1 0 381.501 3.514 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)cc1Cl ZINC000500493698 843531384 /nfs/dbraw/zinc/53/13/84/843531384.db2.gz FFIJQJMEQHRSCY-GOSISDBHSA-N 1 0 386.879 3.634 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000178503695 843541312 /nfs/dbraw/zinc/54/13/12/843541312.db2.gz OXLXNYDDVXQYJR-UGSOOPFHSA-N 1 0 375.266 3.563 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261657710 843652371 /nfs/dbraw/zinc/65/23/71/843652371.db2.gz AIQGFGHZFRLHSW-MUGJNUQGSA-N 1 0 389.588 3.573 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599664652 861455894 /nfs/dbraw/zinc/45/58/94/861455894.db2.gz FDHDHEMCZJDKCL-KRWDZBQOSA-N 1 0 395.286 3.966 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)ccc1Cl ZINC000512439898 843809520 /nfs/dbraw/zinc/80/95/20/843809520.db2.gz YCMUSDMZQUMGGQ-MSOLQXFVSA-N 1 0 391.943 3.911 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ncccc1OCCCC#N)[NH+](C)C ZINC000481463018 861469964 /nfs/dbraw/zinc/46/99/64/861469964.db2.gz YABKHFLTRBAVKF-XLIONFOSSA-N 1 0 395.507 3.886 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000162170451 861473564 /nfs/dbraw/zinc/47/35/64/861473564.db2.gz DRNFKZIDFISTLF-OAHLLOKOSA-N 1 0 391.899 3.596 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OC(F)F)cc2)c(-c2ccncc2)n1 ZINC000433313317 843998915 /nfs/dbraw/zinc/99/89/15/843998915.db2.gz VAYMCIXUTATWMH-UHFFFAOYSA-N 1 0 383.402 3.750 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000729267296 844821175 /nfs/dbraw/zinc/82/11/75/844821175.db2.gz PUCAUHZINDLBIM-FQEVSTJZSA-N 1 0 378.476 3.765 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000329484255 861518030 /nfs/dbraw/zinc/51/80/30/861518030.db2.gz SFKQREVSCUZXSH-RISCZKNCSA-N 1 0 382.386 3.951 20 30 GHEDRO C[C@@H](NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000614472735 844971513 /nfs/dbraw/zinc/97/15/13/844971513.db2.gz HHUIAFCQJSFVRJ-JPYJTQIMSA-N 1 0 376.504 3.973 20 30 GHEDRO N#CCC[C@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000181478205 845022844 /nfs/dbraw/zinc/02/28/44/845022844.db2.gz BVINGKZUQHIYRV-QFIPXVFZSA-N 1 0 398.551 3.565 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCC#Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000509773212 845140665 /nfs/dbraw/zinc/14/06/65/845140665.db2.gz CIRGHWOUKHUBDF-NFBKMPQASA-N 1 0 375.516 3.638 20 30 GHEDRO C[NH+]=C(NCc1nccn1C(F)F)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000262018597 845207916 /nfs/dbraw/zinc/20/79/16/845207916.db2.gz YJTZFDUVZQAKBP-HNNXBMFYSA-N 1 0 389.450 3.780 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000128887284 845222305 /nfs/dbraw/zinc/22/23/05/845222305.db2.gz VDNZLDOSXOCUOV-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000673743530 861560271 /nfs/dbraw/zinc/56/02/71/861560271.db2.gz SHWCUKABCZFMFL-LJQANCHMSA-N 1 0 394.519 3.528 20 30 GHEDRO COc1ccc(CC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000109964773 845370471 /nfs/dbraw/zinc/37/04/71/845370471.db2.gz LCKDQCZYSFUPFU-GOSISDBHSA-N 1 0 383.536 3.681 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H](C)c1cccc2ccccc21 ZINC000262823632 845530637 /nfs/dbraw/zinc/53/06/37/845530637.db2.gz XPOLFTWOFONMQY-WMZOPIPTSA-N 1 0 390.535 3.618 20 30 GHEDRO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812197 845618814 /nfs/dbraw/zinc/61/88/14/845618814.db2.gz QSVURJAAXYQZLH-BRWVUGGUSA-N 1 0 387.499 3.719 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000513585672 845689564 /nfs/dbraw/zinc/68/95/64/845689564.db2.gz HXJYAWWURGFJJC-HXUWFJFHSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513590913 845702970 /nfs/dbraw/zinc/70/29/70/845702970.db2.gz ZISWTIDPSKGTKR-UHFFFAOYSA-N 1 0 379.504 3.715 20 30 GHEDRO C[C@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2ccccc2)o1 ZINC000255456852 845710421 /nfs/dbraw/zinc/71/04/21/845710421.db2.gz FMNCYIUQIDOTNH-INIZCTEOSA-N 1 0 378.432 3.685 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329532105 861603567 /nfs/dbraw/zinc/60/35/67/861603567.db2.gz JTIHSYKSUNBTCQ-VXCLMFOKSA-N 1 0 377.573 3.617 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000481538734 861625824 /nfs/dbraw/zinc/62/58/24/861625824.db2.gz FYASNFHISRCKCF-VKJFTORMSA-N 1 0 389.565 3.699 20 30 GHEDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001167518106 846029523 /nfs/dbraw/zinc/02/95/23/846029523.db2.gz UDIHSQXUOXVZKN-XPECPCTNSA-N 1 0 385.552 3.670 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277403937 846031546 /nfs/dbraw/zinc/03/15/46/846031546.db2.gz JEAXCEIMNGZKHR-DLBZAZTESA-N 1 0 390.553 3.703 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccccc1 ZINC000502536366 846172991 /nfs/dbraw/zinc/17/29/91/846172991.db2.gz VMPYPEKJQUUJSL-QFIPXVFZSA-N 1 0 397.906 3.578 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414523127 846286831 /nfs/dbraw/zinc/28/68/31/846286831.db2.gz CVCDVUNVRZRRCX-IBGZPJMESA-N 1 0 388.519 3.627 20 30 GHEDRO CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1ccncc1 ZINC000502718538 846376779 /nfs/dbraw/zinc/37/67/79/846376779.db2.gz PYQHNQVCYDRRSG-UHFFFAOYSA-N 1 0 387.487 3.821 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183143002 846379339 /nfs/dbraw/zinc/37/93/39/846379339.db2.gz YNMNUYLSAQTRFK-CQSZACIVSA-N 1 0 377.448 3.552 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1 ZINC000419405677 846529060 /nfs/dbraw/zinc/52/90/60/846529060.db2.gz SZVVDTOZARQEOR-SFTDATJTSA-N 1 0 380.467 3.677 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366385686 846539749 /nfs/dbraw/zinc/53/97/49/846539749.db2.gz IZTRJCDMXDYILD-UHFFFAOYSA-N 1 0 384.377 3.624 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C[C@@H](C)O1 ZINC000551888958 846560984 /nfs/dbraw/zinc/56/09/84/846560984.db2.gz GFXALFTVPFJIKJ-QZTJIDSGSA-N 1 0 389.499 3.587 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2cccc(C#N)c2C)[NH+]2CCCC2)c1 ZINC000178548471 846617239 /nfs/dbraw/zinc/61/72/39/846617239.db2.gz UUOWOECYUAOZKG-OAQYLSRUSA-N 1 0 378.476 3.834 20 30 GHEDRO COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000421841138 846631524 /nfs/dbraw/zinc/63/15/24/846631524.db2.gz JUQHAPPTRMKION-IFXJQAMLSA-N 1 0 383.879 3.672 20 30 GHEDRO COc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(F)cc1C#N ZINC000599812933 861707776 /nfs/dbraw/zinc/70/77/76/861707776.db2.gz WEMRMZKZDZPFDK-KRWDZBQOSA-N 1 0 390.846 3.784 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419614040 846700115 /nfs/dbraw/zinc/70/01/15/846700115.db2.gz MARPGKFBIIJHJX-JOCHJYFZSA-N 1 0 392.503 3.835 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419642586 846712968 /nfs/dbraw/zinc/71/29/68/846712968.db2.gz NROYIFJZDRJIJM-JOCHJYFZSA-N 1 0 394.494 3.848 20 30 GHEDRO COc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(F)cc1C#N ZINC000599818930 861724309 /nfs/dbraw/zinc/72/43/09/861724309.db2.gz BNCCHYWTSFPNBY-IBGZPJMESA-N 1 0 382.439 3.665 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000329598250 861735708 /nfs/dbraw/zinc/73/57/08/861735708.db2.gz DBIGDSYXEFUFKH-JKSUJKDBSA-N 1 0 387.553 3.739 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)CCc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000183279876 847028492 /nfs/dbraw/zinc/02/84/92/847028492.db2.gz XMEFSSLZACJRQM-VWNXMTODSA-N 1 0 389.499 3.594 20 30 GHEDRO CCCn1nccc1C1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000501576161 847032551 /nfs/dbraw/zinc/03/25/51/847032551.db2.gz SAOGUWCFKQODPM-KPRXVCGWSA-N 1 0 399.583 3.792 20 30 GHEDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)c(C)c2c1 ZINC000582387110 847050414 /nfs/dbraw/zinc/05/04/14/847050414.db2.gz ICDJKLIZMSQQCX-SJLPKXTDSA-N 1 0 394.471 3.906 20 30 GHEDRO Cn1cc(CNc2cccc(OCC[NH+](C)C)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478299096 847052596 /nfs/dbraw/zinc/05/25/96/847052596.db2.gz NVGRLKIBWQTENK-UHFFFAOYSA-N 1 0 375.476 3.511 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC000375696389 847064885 /nfs/dbraw/zinc/06/48/85/847064885.db2.gz GOOYMMSQMGJHMJ-UHFFFAOYSA-N 1 0 377.529 3.562 20 30 GHEDRO COCCCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000563332098 847068977 /nfs/dbraw/zinc/06/89/77/847068977.db2.gz SQLLNUKHGCQXMD-UHFFFAOYSA-N 1 0 379.504 3.732 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000478904724 847349301 /nfs/dbraw/zinc/34/93/01/847349301.db2.gz YZIGTFORWLKGQI-UHFFFAOYSA-N 1 0 388.515 3.820 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C ZINC000329617551 861782155 /nfs/dbraw/zinc/78/21/55/861782155.db2.gz LRESLFPIDGBDSI-KRWDZBQOSA-N 1 0 384.528 3.582 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccc(C#N)s2)cc1 ZINC000420776018 847422896 /nfs/dbraw/zinc/42/28/96/847422896.db2.gz FDYGTOAVMKIYIH-MRXNPFEDSA-N 1 0 382.533 3.994 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C#N)s3)cc2)C1 ZINC000420775664 847422908 /nfs/dbraw/zinc/42/29/08/847422908.db2.gz DZRDKRFAIUPWMY-MRXNPFEDSA-N 1 0 382.533 3.851 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C#N)s1)c1cccc(OC)c1 ZINC000420766765 847434093 /nfs/dbraw/zinc/43/40/93/847434093.db2.gz SPRYWROLCCTGPD-LJQANCHMSA-N 1 0 386.521 3.511 20 30 GHEDRO CC1CCC(N(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C2CC2)CC1 ZINC000503236632 847504176 /nfs/dbraw/zinc/50/41/76/847504176.db2.gz OIFOBJYUNYSDOQ-UHFFFAOYSA-N 1 0 394.563 3.640 20 30 GHEDRO CCOc1ccc(OCC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000502156273 847531592 /nfs/dbraw/zinc/53/15/92/847531592.db2.gz KKXOWWLGDRFQFZ-UHFFFAOYSA-N 1 0 393.487 3.686 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000479171429 847540808 /nfs/dbraw/zinc/54/08/08/847540808.db2.gz XAIPHCWKHJDSDF-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000503382917 847655790 /nfs/dbraw/zinc/65/57/90/847655790.db2.gz FCMHYMXFFHFBLD-IBGZPJMESA-N 1 0 375.561 3.672 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502275236 847679528 /nfs/dbraw/zinc/67/95/28/847679528.db2.gz JYHVXEZAHNRFMJ-GOSISDBHSA-N 1 0 380.536 3.867 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183499075 847686748 /nfs/dbraw/zinc/68/67/48/847686748.db2.gz FGRINWFAKBVBIG-UHFFFAOYSA-N 1 0 391.924 3.530 20 30 GHEDRO COc1ccc(C#N)cc1C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000502293619 847702661 /nfs/dbraw/zinc/70/26/61/847702661.db2.gz SJHRRTICFGNVAW-UHFFFAOYSA-N 1 0 379.382 3.928 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c1C#N ZINC000503526135 847757723 /nfs/dbraw/zinc/75/77/23/847757723.db2.gz NHKUGFJQIQWSFN-IAGOWNOFSA-N 1 0 394.466 3.780 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503530213 847760739 /nfs/dbraw/zinc/76/07/39/847760739.db2.gz BXNGALOMSRCSOZ-UMVBOHGHSA-N 1 0 383.464 3.769 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000664324239 847763038 /nfs/dbraw/zinc/76/30/38/847763038.db2.gz WUZOZYRGQHMLEC-GCJKJVERSA-N 1 0 385.552 3.577 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000503597439 847821728 /nfs/dbraw/zinc/82/17/28/847821728.db2.gz HSADNFGNOBDVCH-MRXNPFEDSA-N 1 0 386.565 3.937 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000503582682 847823706 /nfs/dbraw/zinc/82/37/06/847823706.db2.gz FHWHPCKKLHQUTL-KRWDZBQOSA-N 1 0 386.515 3.893 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000503624732 847843026 /nfs/dbraw/zinc/84/30/26/847843026.db2.gz DJEXQIJCYPCBLI-UHFFFAOYSA-N 1 0 392.286 3.688 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000582635147 847879987 /nfs/dbraw/zinc/87/99/87/847879987.db2.gz SBOOGHCFFYAGRE-WBVHZDCISA-N 1 0 379.426 3.848 20 30 GHEDRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000480019750 848022936 /nfs/dbraw/zinc/02/29/36/848022936.db2.gz FXUAIXFUJIIOMA-DEOSSOPVSA-N 1 0 399.542 3.885 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000237460927 848265264 /nfs/dbraw/zinc/26/52/64/848265264.db2.gz INGDYCLMERXLBN-UHFFFAOYSA-N 1 0 379.504 3.688 20 30 GHEDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000277886536 848328787 /nfs/dbraw/zinc/32/87/87/848328787.db2.gz VRHMEJMOPSUQTF-OXQOHEQNSA-N 1 0 375.538 3.646 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncccc2CC#N)[C@H](C)CCC[NH3+])c1 ZINC001167613155 848331074 /nfs/dbraw/zinc/33/10/74/848331074.db2.gz ODJALUMZERGZSX-MRXNPFEDSA-N 1 0 375.476 3.970 20 30 GHEDRO Cc1cc(C)nc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000329643073 861891561 /nfs/dbraw/zinc/89/15/61/861891561.db2.gz YPKKGSIIYTZCNA-VQTJNVASSA-N 1 0 387.572 3.513 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](C(=O)NCCC)C2)cc1OC ZINC000628160512 848403271 /nfs/dbraw/zinc/40/32/71/848403271.db2.gz XMMAOPIHPCHOCF-INIZCTEOSA-N 1 0 380.916 3.652 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC000180042028 861919634 /nfs/dbraw/zinc/91/96/34/861919634.db2.gz YZXZPCXILGMEOF-HSZRJFAPSA-N 1 0 393.531 3.754 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000065612910 848620943 /nfs/dbraw/zinc/62/09/43/848620943.db2.gz YHSWVPAKYKULAY-JOCHJYFZSA-N 1 0 381.516 3.946 20 30 GHEDRO N#Cc1cnc(Nc2ccc(-c3ncc[nH]3)cc2)c(I)c1 ZINC001213086316 848698545 /nfs/dbraw/zinc/69/85/45/848698545.db2.gz NMJZVOZRSPFGDM-UHFFFAOYSA-N 1 0 387.184 3.692 20 30 GHEDRO CC(C)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCC1 ZINC000178717022 848719710 /nfs/dbraw/zinc/71/97/10/848719710.db2.gz GOBFIQJWLRDSKK-GOSISDBHSA-N 1 0 398.551 3.619 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2nccc(C)c2c1 ZINC000555818489 861937517 /nfs/dbraw/zinc/93/75/17/861937517.db2.gz ZQMFMDZZVYUKNQ-UHFFFAOYSA-N 1 0 386.499 3.927 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000582951857 848753238 /nfs/dbraw/zinc/75/32/38/848753238.db2.gz PQLFYPHMEIXZQG-LJQANCHMSA-N 1 0 388.519 3.627 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000121799548 848833138 /nfs/dbraw/zinc/83/31/38/848833138.db2.gz WNEOLZCNWBKGKH-QGZVFWFLSA-O 1 0 389.928 3.643 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1OCC(C)C ZINC000180098825 861953063 /nfs/dbraw/zinc/95/30/63/861953063.db2.gz XYJNJPHRIDXEJU-QGZVFWFLSA-N 1 0 387.524 3.723 20 30 GHEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(-c2ccccc2Cl)s1 ZINC000731929433 861974483 /nfs/dbraw/zinc/97/44/83/861974483.db2.gz XBYQXLZJWVMWCO-UHFFFAOYSA-N 1 0 380.970 3.818 20 30 GHEDRO CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CC[NH+](C)CC1 ZINC000599986484 861983101 /nfs/dbraw/zinc/98/31/01/861983101.db2.gz VEAASGVMBCBNKP-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)sc2C1 ZINC000583130221 849138117 /nfs/dbraw/zinc/13/81/17/849138117.db2.gz DZOVASCAKLAPND-PRLQIQRYSA-N 1 0 399.560 3.620 20 30 GHEDRO C[C@@]1(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)OCCc2sccc21 ZINC000262244955 849268944 /nfs/dbraw/zinc/26/89/44/849268944.db2.gz ATQANJBBCBSUBV-INIZCTEOSA-N 1 0 385.411 3.861 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000583410519 849839372 /nfs/dbraw/zinc/83/93/72/849839372.db2.gz RJIHVZDGNRIQJN-HXUWFJFHSA-N 1 0 392.503 3.991 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000434877019 849845642 /nfs/dbraw/zinc/84/56/42/849845642.db2.gz MHOIPTYQACDGSQ-XHDPSFHLSA-N 1 0 395.406 3.974 20 30 GHEDRO CC1(C)C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2cc(N)ccc2O1 ZINC000423438154 849931497 /nfs/dbraw/zinc/93/14/97/849931497.db2.gz MQZVJLNNNIQHBE-JOCHJYFZSA-N 1 0 390.531 3.997 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NCCC[NH+]3CCCCCC3)s2)cc1 ZINC000514503007 849936608 /nfs/dbraw/zinc/93/66/08/849936608.db2.gz HBEYFKJGLXBAGS-UHFFFAOYSA-N 1 0 397.548 3.993 20 30 GHEDRO Cc1nn(Cc2ccccc2)c(C)c1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000434988936 849976000 /nfs/dbraw/zinc/97/60/00/849976000.db2.gz YDTIVTDPBWBBBP-VWLOTQADSA-N 1 0 399.542 3.931 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000486790014 850096899 /nfs/dbraw/zinc/09/68/99/850096899.db2.gz VVWPFUHPVVLAMP-LJQANCHMSA-N 1 0 388.556 3.852 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000435151029 850127342 /nfs/dbraw/zinc/12/73/42/850127342.db2.gz VOPCEABSHHOVIS-HXUWFJFHSA-N 1 0 384.455 3.528 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)cc1C#N ZINC000435151958 850128448 /nfs/dbraw/zinc/12/84/48/850128448.db2.gz OKXITTPOUOHBIP-LJQANCHMSA-N 1 0 381.455 3.611 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000424112437 850225599 /nfs/dbraw/zinc/22/55/99/850225599.db2.gz JRUOVVABMYPOHD-LEWJYISDSA-N 1 0 390.487 3.624 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000424125851 850240377 /nfs/dbraw/zinc/24/03/77/850240377.db2.gz OLMFACQYTIVGKR-LJQANCHMSA-N 1 0 383.565 3.745 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424148268 850249606 /nfs/dbraw/zinc/24/96/06/850249606.db2.gz ZURNPBVZPVXLQQ-NHYWBVRUSA-N 1 0 376.913 3.970 20 30 GHEDRO Cc1sc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)nc1-c1ccc(Cl)cc1 ZINC000424131156 850257336 /nfs/dbraw/zinc/25/73/36/850257336.db2.gz VYTUPNCQMDPLAK-ABAIWWIYSA-N 1 0 376.913 3.970 20 30 GHEDRO C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908691739 850272375 /nfs/dbraw/zinc/27/23/75/850272375.db2.gz ZQMNJMAPZGQYNC-RTBURBONSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000908694471 850274081 /nfs/dbraw/zinc/27/40/81/850274081.db2.gz YAOFMYWZACMRQE-NSHGMRRFSA-N 1 0 381.524 3.587 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000486976186 850308229 /nfs/dbraw/zinc/30/82/29/850308229.db2.gz VLDSBABQCFLBDL-UHFFFAOYSA-N 1 0 381.480 3.963 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000424253518 850313871 /nfs/dbraw/zinc/31/38/71/850313871.db2.gz SGHXHMCVTKGXME-GOSISDBHSA-N 1 0 375.586 3.877 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000424251796 850314176 /nfs/dbraw/zinc/31/41/76/850314176.db2.gz QURICDWKDZVHKY-UHOSZYNNSA-N 1 0 387.597 3.875 20 30 GHEDRO C[C@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518919306 850352758 /nfs/dbraw/zinc/35/27/58/850352758.db2.gz QBOSUBNXSZGYGX-VGOFRKELSA-N 1 0 379.479 3.850 20 30 GHEDRO C=CCCCCC[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000899891701 862149052 /nfs/dbraw/zinc/14/90/52/862149052.db2.gz RIQSAOUYQVEVQP-GOSISDBHSA-N 1 0 384.442 3.503 20 30 GHEDRO C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487287793 850650316 /nfs/dbraw/zinc/65/03/16/850650316.db2.gz QFBGTGOVFCYAII-PGRDOPGGSA-N 1 0 393.556 3.818 20 30 GHEDRO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000519176461 850703891 /nfs/dbraw/zinc/70/38/91/850703891.db2.gz YXBLJCRDZMXPDJ-SFHVURJKSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)C1=CC[N@H+](C)CC1 ZINC000329707364 862164212 /nfs/dbraw/zinc/16/42/12/862164212.db2.gz LODIYGUPFUKDKS-GOEBONIOSA-N 1 0 385.537 3.515 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NCCC[NH+]3CCCCC3)s2)cc1 ZINC000515217510 850800317 /nfs/dbraw/zinc/80/03/17/850800317.db2.gz LRQQEDRRZYPEKM-UHFFFAOYSA-N 1 0 383.521 3.603 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505302775 850805656 /nfs/dbraw/zinc/80/56/56/850805656.db2.gz ZBRDZQQSXIKBQM-OAQYLSRUSA-N 1 0 377.463 3.510 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000515241857 850828399 /nfs/dbraw/zinc/82/83/99/850828399.db2.gz XTDOFIIHOBUKOT-VGOFRKELSA-N 1 0 395.503 3.532 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000505409787 851001526 /nfs/dbraw/zinc/00/15/26/851001526.db2.gz PXTABFKOGSBGJE-UHFFFAOYSA-N 1 0 377.463 3.641 20 30 GHEDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)[NH+]1CCCCC1 ZINC000515501481 851091253 /nfs/dbraw/zinc/09/12/53/851091253.db2.gz ACOBIBPMZVLZQQ-SFHVURJKSA-N 1 0 381.436 3.509 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434426408 851091683 /nfs/dbraw/zinc/09/16/83/851091683.db2.gz VGACWOVUWPNNAQ-QFIPXVFZSA-N 1 0 389.499 3.884 20 30 GHEDRO Cc1nc(SCC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000604439699 862207935 /nfs/dbraw/zinc/20/79/35/862207935.db2.gz HOWADZKASGZNBR-SZNDQCEHSA-N 1 0 388.581 3.597 20 30 GHEDRO CCC1(CNC(=O)COc2ccccc2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000514042940 851165624 /nfs/dbraw/zinc/16/56/24/851165624.db2.gz NMFTWTFTEYJMAJ-UHFFFAOYSA-N 1 0 391.515 3.746 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425090750 851252179 /nfs/dbraw/zinc/25/21/79/851252179.db2.gz XMQKDYQQTJYUBG-CYBMUJFWSA-N 1 0 384.505 3.577 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000415082176 851257203 /nfs/dbraw/zinc/25/72/03/851257203.db2.gz LMQXJWVFZQXALC-UHFFFAOYSA-N 1 0 382.464 3.808 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000436279687 851400755 /nfs/dbraw/zinc/40/07/55/851400755.db2.gz BRYAZSDLGCZFEB-GLJUWKHASA-N 1 0 381.314 3.737 20 30 GHEDRO CCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000604490065 862249261 /nfs/dbraw/zinc/24/92/61/862249261.db2.gz HJIDBMBSARYGOC-IRLDBZIGSA-N 1 0 396.579 3.829 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000436347804 851509000 /nfs/dbraw/zinc/50/90/00/851509000.db2.gz YCTNXOZGUSGIAI-PXNSSMCTSA-N 1 0 375.513 3.510 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000515823660 851528780 /nfs/dbraw/zinc/52/87/80/851528780.db2.gz OIXHQYBNFMACOQ-MRXNPFEDSA-N 1 0 398.457 3.815 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000515829169 851558635 /nfs/dbraw/zinc/55/86/35/851558635.db2.gz QESVAAWMSNCGJC-UHFFFAOYSA-N 1 0 395.506 3.876 20 30 GHEDRO COCC[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000604500665 862259381 /nfs/dbraw/zinc/25/93/81/862259381.db2.gz CKVPRAQNUCQGHH-HSZRJFAPSA-N 1 0 391.515 3.591 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000505812028 851582097 /nfs/dbraw/zinc/58/20/97/851582097.db2.gz LJFVAPVLOLJQTN-IBGZPJMESA-N 1 0 397.544 3.759 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCC(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000488567064 851609026 /nfs/dbraw/zinc/60/90/26/851609026.db2.gz YSNONSAKDXNXSH-POOLCLQXSA-N 1 0 389.499 3.681 20 30 GHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)n1 ZINC000329740650 862284138 /nfs/dbraw/zinc/28/41/38/862284138.db2.gz OCDSKBOWOFYWQN-ROUUACIJSA-N 1 0 386.540 3.727 20 30 GHEDRO CC1(C)CC(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000042908195 851798857 /nfs/dbraw/zinc/79/88/57/851798857.db2.gz OIWQAHIUBHPOKR-UHFFFAOYSA-N 1 0 381.442 3.665 20 30 GHEDRO C[C@@]1(CNC(=O)NCc2cc(C#N)ccc2F)CCC[N@@H+]1Cc1ccccc1 ZINC000488946807 851895243 /nfs/dbraw/zinc/89/52/43/851895243.db2.gz STRRYNRQNKXJMP-QFIPXVFZSA-N 1 0 380.467 3.551 20 30 GHEDRO CN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454353550 851924344 /nfs/dbraw/zinc/92/43/44/851924344.db2.gz IVERWONGACZPEJ-UHFFFAOYSA-N 1 0 399.461 3.995 20 30 GHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329764778 862304628 /nfs/dbraw/zinc/30/46/28/862304628.db2.gz WDJYVMBYNCPXIU-SJORKVTESA-N 1 0 380.492 3.546 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000506176364 852028720 /nfs/dbraw/zinc/02/87/20/852028720.db2.gz XPIPEWAXAURWTD-XXBNENTESA-N 1 0 399.535 3.510 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505855092 852140207 /nfs/dbraw/zinc/14/02/07/852140207.db2.gz BDGSXCPGAFSSHT-YTCBPCPPSA-N 1 0 383.536 3.707 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)C(=O)NC1(C#N)CCCCC1 ZINC000590193372 852141645 /nfs/dbraw/zinc/14/16/45/852141645.db2.gz PJQHJQJOHLZUBS-QWHCGFSZSA-N 1 0 396.304 3.970 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000329800105 862329762 /nfs/dbraw/zinc/32/97/62/862329762.db2.gz INOZBWBQEBMWIE-GIVPXCGWSA-N 1 0 385.552 3.892 20 30 GHEDRO COc1ccc(CNC(NC[C@H]2COC3(CCCCC3)O2)=[NH+]C(C)(C)C)cc1 ZINC000912507882 852313153 /nfs/dbraw/zinc/31/31/53/852313153.db2.gz HERGBODEQYMWOQ-IBGZPJMESA-N 1 0 389.540 3.605 20 30 GHEDRO COc1ccc(CCNC(NCc2ccc(OC)cc2OC)=[NH+]C(C)(C)C)cc1 ZINC000912509738 852314481 /nfs/dbraw/zinc/31/44/81/852314481.db2.gz OTYRKEYTNITMAD-UHFFFAOYSA-N 1 0 399.535 3.789 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000329819332 862343449 /nfs/dbraw/zinc/34/34/49/862343449.db2.gz GCSZQSSEZUAXJH-ZGFYZEPBSA-N 1 0 395.547 3.899 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)CC2)CC1 ZINC000329842729 862366376 /nfs/dbraw/zinc/36/63/76/862366376.db2.gz KNNLXEPGFARMBJ-GHBBCFCZSA-N 1 0 379.589 3.672 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000519587990 852550894 /nfs/dbraw/zinc/55/08/94/852550894.db2.gz LZQCEFNCQUILGN-GZBFAFLISA-N 1 0 394.313 3.524 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000570562693 852588148 /nfs/dbraw/zinc/58/81/48/852588148.db2.gz SQRZYDIAWVYKJS-GOSISDBHSA-N 1 0 377.602 3.979 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000517906068 852607550 /nfs/dbraw/zinc/60/75/50/852607550.db2.gz HMIZCEKFVSXRAO-LJQANCHMSA-N 1 0 378.476 3.661 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000506296244 852613510 /nfs/dbraw/zinc/61/35/10/852613510.db2.gz XOPZWSVTDIYVEE-DYESRHJHSA-N 1 0 392.503 3.559 20 30 GHEDRO CN1CC[C@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000516515410 852668872 /nfs/dbraw/zinc/66/88/72/852668872.db2.gz QDMPLIDLBQLXLN-RBBKRZOGSA-N 1 0 396.922 3.622 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1OCCc2ccccc21 ZINC000507235445 852695495 /nfs/dbraw/zinc/69/54/95/852695495.db2.gz RVHUGKWPPWHTEF-IWUUWALWSA-N 1 0 383.536 3.552 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000490034992 852718134 /nfs/dbraw/zinc/71/81/34/852718134.db2.gz VKVOIJXALZXFRS-NQIIRXRSSA-N 1 0 375.472 3.552 20 30 GHEDRO CC(C)(CO)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000516606702 852785611 /nfs/dbraw/zinc/78/56/11/852785611.db2.gz UHJGPGADPCUODA-OAQYLSRUSA-N 1 0 399.922 3.936 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000516659829 852831229 /nfs/dbraw/zinc/83/12/29/852831229.db2.gz OCCZQOOVRYATKM-HZPDHXFCSA-N 1 0 397.548 3.847 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)COc1ccc(O)cc1)c1ccccc1O2 ZINC000329889022 862400326 /nfs/dbraw/zinc/40/03/26/862400326.db2.gz ZPXINLJBQRVRIT-LJQANCHMSA-N 1 0 382.460 3.716 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000507490583 852972727 /nfs/dbraw/zinc/97/27/27/852972727.db2.gz IRMSVLJWHFUZRW-HOTGVXAUSA-N 1 0 383.517 3.975 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029342247 852984021 /nfs/dbraw/zinc/98/40/21/852984021.db2.gz YRFADUAJIZPWLJ-LJQANCHMSA-N 1 0 391.515 3.874 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000516783164 852994552 /nfs/dbraw/zinc/99/45/52/852994552.db2.gz ASTGVDFLEJQVFI-UHFFFAOYSA-N 1 0 375.601 3.778 20 30 GHEDRO N#Cc1csc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000516822245 853058129 /nfs/dbraw/zinc/05/81/29/853058129.db2.gz OQFZPBQCKQRDSF-UHFFFAOYSA-N 1 0 380.439 3.741 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[C@@H](C#N)C3)C2=O)ccc1Br ZINC000329923881 862428370 /nfs/dbraw/zinc/42/83/70/862428370.db2.gz HGAARQONHWDVFZ-KEYYUXOJSA-N 1 0 376.298 3.535 20 30 GHEDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000490645584 853146770 /nfs/dbraw/zinc/14/67/70/853146770.db2.gz DPRNLICXCNIFRL-UHFFFAOYSA-N 1 0 393.915 3.559 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000029587465 853253661 /nfs/dbraw/zinc/25/36/61/853253661.db2.gz NGYSWNOEWXKVNK-UHFFFAOYSA-N 1 0 393.491 3.789 20 30 GHEDRO CCN(C(=O)NCC#Cc1ccccc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473871830 853261834 /nfs/dbraw/zinc/26/18/34/853261834.db2.gz GZOFNVBQAYILJF-NZQKXSOJSA-N 1 0 375.516 3.905 20 30 GHEDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000913398809 853314057 /nfs/dbraw/zinc/31/40/57/853314057.db2.gz QAKJWMFGSJYWCB-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1cc(NCC2([NH+]3CCCC3)CCOCC2)n2c3ccccc3nc2c1C#N ZINC000517092639 853353299 /nfs/dbraw/zinc/35/32/99/853353299.db2.gz LQEMVSARAOGDDR-UHFFFAOYSA-N 1 0 389.503 3.725 20 30 GHEDRO COc1cc(CNC(=[NH2+])NC2CCCCCC2)cc(Br)c1OC ZINC000261976998 853380983 /nfs/dbraw/zinc/38/09/83/853380983.db2.gz GLHOAUZQKKRBTN-UHFFFAOYSA-N 1 0 384.318 3.593 20 30 GHEDRO CCN(C(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000517132975 853417931 /nfs/dbraw/zinc/41/79/31/853417931.db2.gz GAOKSLAQGOYPHH-SFHVURJKSA-N 1 0 383.536 3.971 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)C[C@@H]21 ZINC000519807441 853503067 /nfs/dbraw/zinc/50/30/67/853503067.db2.gz HWBVRDCMNHXPJU-QAPCUYQASA-N 1 0 380.423 3.657 20 30 GHEDRO CCc1ccc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)cc1 ZINC000586784714 853546415 /nfs/dbraw/zinc/54/64/15/853546415.db2.gz VJDRJSWATISLDE-XZOQPEGZSA-N 1 0 378.516 3.934 20 30 GHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000329982949 862477794 /nfs/dbraw/zinc/47/77/94/862477794.db2.gz PEYHSPRKTCZLSZ-UHFFFAOYSA-N 1 0 393.601 3.742 20 30 GHEDRO Cc1ccccc1C(=O)C(C(=S)NC1CCCCC1)[n+]1cccc(CO)c1 ZINC000055013030 853629388 /nfs/dbraw/zinc/62/93/88/853629388.db2.gz WEXMQKLDMZAIDN-UHFFFAOYSA-O 1 0 383.537 3.636 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)cc1 ZINC000055015216 853630649 /nfs/dbraw/zinc/63/06/49/853630649.db2.gz HITDPFLBEYOKDT-UHFFFAOYSA-O 1 0 384.569 3.929 20 30 GHEDRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000439441741 853655373 /nfs/dbraw/zinc/65/53/73/853655373.db2.gz KNAXRKORFMSMMF-UHFFFAOYSA-N 1 0 397.906 3.749 20 30 GHEDRO C=CCOc1cccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000126571182 853672154 /nfs/dbraw/zinc/67/21/54/853672154.db2.gz RRVXJPYMOIZRCS-UHFFFAOYSA-N 1 0 393.531 3.603 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000437936554 853702716 /nfs/dbraw/zinc/70/27/16/853702716.db2.gz ULEDHWFQCDHRFK-JQHSSLGASA-N 1 0 399.457 3.589 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000129451704 853808819 /nfs/dbraw/zinc/80/88/19/853808819.db2.gz AUJPYWRXCLXSBX-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000481913214 862509603 /nfs/dbraw/zinc/50/96/03/862509603.db2.gz MFCPDNCXDYZUTC-HXUWFJFHSA-N 1 0 394.519 3.560 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000520299031 854044008 /nfs/dbraw/zinc/04/40/08/854044008.db2.gz DGGKYIWRXKHXRZ-KRWDZBQOSA-N 1 0 383.458 3.747 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000520293083 854046893 /nfs/dbraw/zinc/04/68/93/854046893.db2.gz VESSCXSOEHDXME-NRFANRHFSA-N 1 0 385.577 3.952 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CCCCC1 ZINC000520334537 854091992 /nfs/dbraw/zinc/09/19/92/854091992.db2.gz LZLHMWIRQYAOMA-NRFANRHFSA-N 1 0 392.503 3.986 20 30 GHEDRO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000571975664 854249028 /nfs/dbraw/zinc/24/90/28/854249028.db2.gz ROSJNVSIZLZLMI-MRXNPFEDSA-N 1 0 381.501 3.616 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000330068287 862550084 /nfs/dbraw/zinc/55/00/84/862550084.db2.gz GFPCNYWUPKGEEC-OXQOHEQNSA-N 1 0 381.524 3.865 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](c2cccs2)C1)C(C)C ZINC000473944027 854387860 /nfs/dbraw/zinc/38/78/60/854387860.db2.gz ZNVGPHAWFUIHNO-QZTJIDSGSA-N 1 0 377.554 3.530 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1-n1cccn1 ZINC000328855054 854578868 /nfs/dbraw/zinc/57/88/68/854578868.db2.gz JTPAHEIJOJADKW-PKOBYXMFSA-N 1 0 381.524 3.511 20 30 GHEDRO CCC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000328915090 854620698 /nfs/dbraw/zinc/62/06/98/854620698.db2.gz QQUPPOVZKJJZOK-LJQANCHMSA-N 1 0 389.565 3.687 20 30 GHEDRO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000328971817 854637604 /nfs/dbraw/zinc/63/76/04/854637604.db2.gz ADOIDRUWYDVHAP-HZPDHXFCSA-N 1 0 392.931 3.826 20 30 GHEDRO CC1(C)C(=O)Nc2ccc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cc21 ZINC000328980160 854639302 /nfs/dbraw/zinc/63/93/02/854639302.db2.gz XSUNQJGSEXQSOF-MOPGFXCFSA-N 1 0 385.508 3.638 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)[C@@H](C)C1 ZINC000330977674 854789854 /nfs/dbraw/zinc/78/98/54/854789854.db2.gz KZNJHLIETKDJHZ-KXBFYZLASA-N 1 0 375.513 3.804 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000589325029 854791092 /nfs/dbraw/zinc/79/10/92/854791092.db2.gz GRPPVWGTDNTKMU-LADGPHEKSA-N 1 0 386.499 3.720 20 30 GHEDRO COc1cc(Cl)c(Cl)cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331104002 854805577 /nfs/dbraw/zinc/80/55/77/854805577.db2.gz FHPAUTJZPITONS-OAHLLOKOSA-N 1 0 378.325 3.765 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC000589317354 854807290 /nfs/dbraw/zinc/80/72/90/854807290.db2.gz BJPRZGYQQFFNLL-CQSZACIVSA-N 1 0 384.348 3.796 20 30 GHEDRO Cc1sc(Br)c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000331265456 854833938 /nfs/dbraw/zinc/83/39/38/854833938.db2.gz HMTVTGDQILZRIL-CYBMUJFWSA-N 1 0 389.359 3.525 20 30 GHEDRO CC(C)[C@@H](CNc1c(Br)cc(Cl)cc1C#N)N1CC[NH+](C)CC1 ZINC000553245889 854925662 /nfs/dbraw/zinc/92/56/62/854925662.db2.gz FOXKSULXNJRXET-MRXNPFEDSA-N 1 0 399.764 3.658 20 30 GHEDRO Cc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)ccc1-n1cncn1 ZINC000520459975 854969811 /nfs/dbraw/zinc/96/98/11/854969811.db2.gz QSNASRQFVFHITQ-UHFFFAOYSA-N 1 0 391.450 3.630 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000553435646 855022322 /nfs/dbraw/zinc/02/23/22/855022322.db2.gz KWXCCCFNGAELDT-PGRDOPGGSA-N 1 0 389.499 3.836 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1cccs1 ZINC000669336629 855064389 /nfs/dbraw/zinc/06/43/89/855064389.db2.gz OEWFZFYUYWSJRW-KURKYZTESA-N 1 0 399.564 3.793 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000589706102 855115174 /nfs/dbraw/zinc/11/51/74/855115174.db2.gz SLSGLNQVBRRZGH-FPOVZHCZSA-N 1 0 395.499 3.763 20 30 GHEDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000054295891 855140476 /nfs/dbraw/zinc/14/04/76/855140476.db2.gz IKRAVNOGHAZSML-UHFFFAOYSA-N 1 0 381.501 3.852 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000056969118 855164467 /nfs/dbraw/zinc/16/44/67/855164467.db2.gz CCGQPULPIDXRKL-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC000106275556 855204883 /nfs/dbraw/zinc/20/48/83/855204883.db2.gz ZZJACZPNOHQHPJ-UHFFFAOYSA-N 1 0 393.478 3.558 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)NC1(C#N)CCC1 ZINC000590014370 855227350 /nfs/dbraw/zinc/22/73/50/855227350.db2.gz JKFKISUSPOIZFK-MLGOLLRUSA-N 1 0 390.325 3.613 20 30 GHEDRO Cc1nccc(N2CCN(C(=O)N[C@@H]3CCCc4sc(Cl)cc43)CC2)n1 ZINC000330205173 862660916 /nfs/dbraw/zinc/66/09/16/862660916.db2.gz CEMWTQNMOQAGSL-CQSZACIVSA-N 1 0 391.928 3.614 20 30 GHEDRO N#CCN1CCC([NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000590243168 855329608 /nfs/dbraw/zinc/32/96/08/855329608.db2.gz MRTJFAIXTJWYCJ-GOSISDBHSA-N 1 0 392.272 3.848 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)CSc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000482071136 862672825 /nfs/dbraw/zinc/67/28/25/862672825.db2.gz CYLDYDBANZMHMM-OAQYLSRUSA-N 1 0 397.544 3.858 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc4c(c3)C(=O)NCC4)c2)c1 ZINC000542692666 855462072 /nfs/dbraw/zinc/46/20/72/855462072.db2.gz FOGNOCQAUVSADT-UHFFFAOYSA-N 1 0 397.478 3.713 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)NC3(c4ccc(F)cc4)CCCC3)n2)CC1 ZINC000330238829 862683990 /nfs/dbraw/zinc/68/39/90/862683990.db2.gz DNMUKUOOESOSGV-UHFFFAOYSA-N 1 0 385.487 3.506 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000107601968 855493196 /nfs/dbraw/zinc/49/31/96/855493196.db2.gz LZZSLLRXXDCEJF-UHFFFAOYSA-N 1 0 393.531 3.825 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1F ZINC000590663102 855537455 /nfs/dbraw/zinc/53/74/55/855537455.db2.gz BGOSWNQKXGOYOD-QZTJIDSGSA-N 1 0 391.446 3.784 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000590674073 855542204 /nfs/dbraw/zinc/54/22/04/855542204.db2.gz BAGAGWNPSQWHPF-GOSISDBHSA-N 1 0 398.304 3.667 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc(Br)cc1C#N ZINC000590692268 855550113 /nfs/dbraw/zinc/55/01/13/855550113.db2.gz AHCLYXMWGZMWPN-OAHLLOKOSA-N 1 0 385.309 3.817 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000590804059 855595777 /nfs/dbraw/zinc/59/57/77/855595777.db2.gz CWCSEUNZJSCYDK-INIZCTEOSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000590807380 855597833 /nfs/dbraw/zinc/59/78/33/855597833.db2.gz BAERIWUPRKOBRU-RTBURBONSA-N 1 0 376.504 3.783 20 30 GHEDRO N#Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301351984 855677701 /nfs/dbraw/zinc/67/77/01/855677701.db2.gz MXFPNGGFWMMASR-GOSISDBHSA-N 1 0 377.404 3.857 20 30 GHEDRO C[NH+](C)[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)Cc1ccccc1 ZINC000301355121 855677913 /nfs/dbraw/zinc/67/79/13/855677913.db2.gz OFZPKLFFFFPCQA-SFHVURJKSA-N 1 0 375.432 3.599 20 30 GHEDRO C[NH+](C)Cc1cc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)ccc1F ZINC000301402404 855689757 /nfs/dbraw/zinc/68/97/57/855689757.db2.gz RFPVFWQVGZZGBW-UHFFFAOYSA-N 1 0 379.395 3.827 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000573047471 855702814 /nfs/dbraw/zinc/70/28/14/855702814.db2.gz MITYUIKQKUZCHM-AZUAARDMSA-N 1 0 395.551 3.894 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000574692578 855714543 /nfs/dbraw/zinc/71/45/43/855714543.db2.gz BFKYGRGNWOUZRV-CAOCKLPOSA-N 1 0 389.543 3.798 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)NCc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000056932855 855723068 /nfs/dbraw/zinc/72/30/68/855723068.db2.gz IFTAGQLSUOGSAX-NRFANRHFSA-N 1 0 392.503 3.593 20 30 GHEDRO CCOC(=O)[C@](C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000520601623 855761733 /nfs/dbraw/zinc/76/17/33/855761733.db2.gz BLLBLGZOLCOTGN-XMMPIXPASA-N 1 0 391.515 3.638 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Br)cc1 ZINC000192661022 855833866 /nfs/dbraw/zinc/83/38/66/855833866.db2.gz GPPDRDSJAJPFSX-KGLIPLIRSA-N 1 0 378.314 3.831 20 30 GHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)Nc1cccc(C#N)c1 ZINC000108374609 855851653 /nfs/dbraw/zinc/85/16/53/855851653.db2.gz TVWIQQIHHZIIHR-UHFFFAOYSA-N 1 0 391.450 3.591 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465754197 855860349 /nfs/dbraw/zinc/86/03/49/855860349.db2.gz NAAXGRWZJWVZQL-GIVPXCGWSA-N 1 0 382.552 3.978 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)CCCC2)c1 ZINC000108407166 855866114 /nfs/dbraw/zinc/86/61/14/855866114.db2.gz QBGVMVHKJMOSNY-KRWDZBQOSA-N 1 0 377.488 3.995 20 30 GHEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(C#N)ccc1C(F)(F)F ZINC000302467673 855869337 /nfs/dbraw/zinc/86/93/37/855869337.db2.gz SUIVNRAJGQCHIA-FQEVSTJZSA-N 1 0 389.421 3.650 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1F ZINC000554427211 855900592 /nfs/dbraw/zinc/90/05/92/855900592.db2.gz CCSPMCHESNEMLY-JOCHJYFZSA-N 1 0 378.451 3.827 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N[C@@H](C#N)c1ccccc1Br)c1ccccc1 ZINC000591317357 855907499 /nfs/dbraw/zinc/90/74/99/855907499.db2.gz FNVHBJLOGFLZOB-ZWKOTPCHSA-N 1 0 386.293 3.823 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000573214644 855932533 /nfs/dbraw/zinc/93/25/33/855932533.db2.gz MGFBJRHFDVFRFV-FPOVZHCZSA-N 1 0 382.895 3.575 20 30 GHEDRO C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591356578 855950124 /nfs/dbraw/zinc/95/01/24/855950124.db2.gz AGDQBINMAOMZRC-QZTJIDSGSA-N 1 0 376.504 3.975 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000591471539 856005905 /nfs/dbraw/zinc/00/59/05/856005905.db2.gz HTUQRWSSJFCIJI-JOCHJYFZSA-N 1 0 394.544 3.817 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000171246679 856061519 /nfs/dbraw/zinc/06/15/19/856061519.db2.gz SJEOXCFSJSGYMO-UHFFFAOYSA-N 1 0 392.908 3.586 20 30 GHEDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCSCc1ccccc1C#N ZINC000171381072 856111307 /nfs/dbraw/zinc/11/13/07/856111307.db2.gz RUEWGLQNQVLKPK-UHFFFAOYSA-N 1 0 398.454 3.564 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000171945047 856313436 /nfs/dbraw/zinc/31/34/36/856313436.db2.gz NOQDELOOCNKMLG-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000485378983 856434817 /nfs/dbraw/zinc/43/48/17/856434817.db2.gz DUOIXQUTPDJDAA-VXKWHMMOSA-N 1 0 375.472 3.729 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(n3ncc(C(=O)OCC)c3C)CC2)c1 ZINC000573725678 856454876 /nfs/dbraw/zinc/45/48/76/856454876.db2.gz LNTXBALHNYWROW-UHFFFAOYSA-N 1 0 383.492 3.770 20 30 GHEDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507824553 856461696 /nfs/dbraw/zinc/46/16/96/856461696.db2.gz OPVWPEQXRGICAJ-LJQANCHMSA-N 1 0 391.515 3.757 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)n2cc(C[N@H+](C)C(C)(C)C)nn2)c1 ZINC000905793393 856590591 /nfs/dbraw/zinc/59/05/91/856590591.db2.gz SOSGYADEMQBGJH-GOSISDBHSA-N 1 0 396.539 3.633 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000593883605 862814100 /nfs/dbraw/zinc/81/41/00/862814100.db2.gz PKLDJIZQMXCFSN-UHFFFAOYSA-N 1 0 377.488 3.695 20 30 GHEDRO Cc1cccc2c(CCC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c[nH]c21 ZINC000172849781 856636194 /nfs/dbraw/zinc/63/61/94/856636194.db2.gz BZTZDZHJYVDIAS-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO N#Cc1cccc(OCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592130384 856668143 /nfs/dbraw/zinc/66/81/43/856668143.db2.gz GRJGOJZSJLIZQQ-MXVIHJGJSA-N 1 0 395.459 3.651 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)cc1Cl ZINC000592176794 856762158 /nfs/dbraw/zinc/76/21/58/856762158.db2.gz DUIDCDWOJUSAQE-OAQYLSRUSA-N 1 0 395.890 3.810 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000592301923 856771814 /nfs/dbraw/zinc/77/18/14/856771814.db2.gz FADANGWYUICWPS-IRLDBZIGSA-N 1 0 385.552 3.836 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000508040614 856844490 /nfs/dbraw/zinc/84/44/90/856844490.db2.gz AUOJPKRMAMPEIC-UHFFFAOYSA-N 1 0 389.569 3.598 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000592220237 856876230 /nfs/dbraw/zinc/87/62/30/856876230.db2.gz BOHXHTAHHQABSC-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000252801215 856890663 /nfs/dbraw/zinc/89/06/63/856890663.db2.gz ABZITBRJKJALKS-FYYLOGMGSA-N 1 0 377.488 3.669 20 30 GHEDRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592522796 856918945 /nfs/dbraw/zinc/91/89/45/856918945.db2.gz FODTYXYVZIEPLZ-XMMPIXPASA-N 1 0 386.499 3.952 20 30 GHEDRO Cc1c(C#N)c(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)n2ccccc12 ZINC001128937479 856976013 /nfs/dbraw/zinc/97/60/13/856976013.db2.gz RWPHPBACBPTTKX-UHFFFAOYSA-N 1 0 390.487 3.631 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000592260178 856983466 /nfs/dbraw/zinc/98/34/66/856983466.db2.gz SLUWJSXQYSFPKZ-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000173585819 857008152 /nfs/dbraw/zinc/00/81/52/857008152.db2.gz GVSIEPYJOKKGQW-IBGZPJMESA-N 1 0 391.515 3.941 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000173585833 857008454 /nfs/dbraw/zinc/00/84/54/857008454.db2.gz GVSIEPYJOKKGQW-LJQANCHMSA-N 1 0 391.515 3.941 20 30 GHEDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1 ZINC000593082165 857317243 /nfs/dbraw/zinc/31/72/43/857317243.db2.gz JMGJKBXCGJTFDH-FQEVSTJZSA-N 1 0 377.488 3.993 20 30 GHEDRO N#Cc1cc(Br)cnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311076701 857338250 /nfs/dbraw/zinc/33/82/50/857338250.db2.gz VXEQNIHYPWXRIH-FUHWJXTLSA-N 1 0 397.320 3.674 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1OCCCC#N ZINC000174583396 857345653 /nfs/dbraw/zinc/34/56/53/857345653.db2.gz JPERSDIVYFUYGR-FXAWDEMLSA-N 1 0 393.487 3.661 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000246366747 857358106 /nfs/dbraw/zinc/35/81/06/857358106.db2.gz YWZSFILOFWANQQ-CABCVRRESA-N 1 0 381.423 3.947 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000592401569 857375186 /nfs/dbraw/zinc/37/51/86/857375186.db2.gz YSHWCJZOWTUROJ-KSSFIOAISA-N 1 0 389.421 3.833 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2ccc(C#N)c(Cl)c2)CC1 ZINC000438881147 857375612 /nfs/dbraw/zinc/37/56/12/857375612.db2.gz DPOSNFGOPHDQFP-UHFFFAOYSA-N 1 0 397.906 3.633 20 30 GHEDRO CCCc1c(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cnn1-c1ccc(C)cc1 ZINC000330328272 862910305 /nfs/dbraw/zinc/91/03/05/862910305.db2.gz LOAMJGALEGVMMC-UTKZUKDTSA-N 1 0 381.524 3.705 20 30 GHEDRO C[C@H](CCc1ccccc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042929345 857460648 /nfs/dbraw/zinc/46/06/48/857460648.db2.gz KOZDHSOPQTZSOM-HXUWFJFHSA-N 1 0 390.531 3.797 20 30 GHEDRO Cc1cc(NC(=O)c2ccsc2C#N)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000907081946 857472336 /nfs/dbraw/zinc/47/23/36/857472336.db2.gz YTOKVRICXFEDRA-QGZVFWFLSA-N 1 0 391.500 3.824 20 30 GHEDRO C[C@@]1(NC(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000593383488 857561760 /nfs/dbraw/zinc/56/17/60/857561760.db2.gz WQLVXGZJNWCSOY-FYYLOGMGSA-N 1 0 376.504 3.995 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1Cc1ccccn1 ZINC000648716358 857631576 /nfs/dbraw/zinc/63/15/76/857631576.db2.gz FJMLEKFPGMZRJS-QGZVFWFLSA-N 1 0 375.925 3.976 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442218943 857634977 /nfs/dbraw/zinc/63/49/77/857634977.db2.gz SBKJYEAYNMDUHO-UHFFFAOYSA-N 1 0 384.402 3.699 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O ZINC000499601984 857688802 /nfs/dbraw/zinc/68/88/02/857688802.db2.gz HTBMOMTXURGVQM-YWZLYKJASA-N 1 0 381.451 3.516 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(C#N)CCCC2)C1 ZINC000593786508 857724934 /nfs/dbraw/zinc/72/49/34/857724934.db2.gz LNJCMBNTCATHIM-UHFFFAOYSA-N 1 0 378.520 3.608 20 30 GHEDRO CSc1cccc(N(C(=O)c2ncc(C#N)cc2C)C2CC[NH+](C)CC2)c1 ZINC000521206387 857732183 /nfs/dbraw/zinc/73/21/83/857732183.db2.gz CEJXBCDMTSYQRN-UHFFFAOYSA-N 1 0 380.517 3.725 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000593987589 857818034 /nfs/dbraw/zinc/81/80/34/857818034.db2.gz UKRLVMZHYSAAIO-PWHSHALESA-N 1 0 375.516 3.764 20 30 GHEDRO CC(C)([C@@H](NC(=O)c1ccc(C#N)nc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486549603 857865410 /nfs/dbraw/zinc/86/54/10/857865410.db2.gz OTPPHOFLZSEKPW-IBGZPJMESA-N 1 0 384.430 3.577 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000594065188 857913713 /nfs/dbraw/zinc/91/37/13/857913713.db2.gz QVGSFYVEFMQRIE-TYKWCNGQSA-N 1 0 392.503 3.793 20 30 GHEDRO N#CCCCCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000594230979 858012577 /nfs/dbraw/zinc/01/25/77/858012577.db2.gz ULUUNPZBYZMNSW-UHFFFAOYSA-N 1 0 390.531 3.709 20 30 GHEDRO N#C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000594286800 858028457 /nfs/dbraw/zinc/02/84/57/858028457.db2.gz YLGRNIQLJCWHGX-RHSMWYFYSA-N 1 0 398.359 3.892 20 30 GHEDRO CCN1CCC([NH+]2CCC(C(=O)N(CC(C)C)c3ccc(C#N)cc3)CC2)CC1 ZINC000574650197 858106303 /nfs/dbraw/zinc/10/63/03/858106303.db2.gz RCQZUKCSAJMRKA-UHFFFAOYSA-N 1 0 396.579 3.744 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000114684527 858167745 /nfs/dbraw/zinc/16/77/45/858167745.db2.gz KRMBBMDSVOHSFC-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000594516374 858206971 /nfs/dbraw/zinc/20/69/71/858206971.db2.gz YSUBOCCCMLOSCM-XXBNENTESA-N 1 0 377.532 3.867 20 30 GHEDRO CCCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CC[N@H+](C)C1 ZINC000592829570 858295547 /nfs/dbraw/zinc/29/55/47/858295547.db2.gz QSMRLEJBWIYUDD-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](c3ccc(F)cc3)N3CCOCC3)cc2)CC1 ZINC000594925351 858305833 /nfs/dbraw/zinc/30/58/33/858305833.db2.gz WROUKPCBRGZLCH-QFIPXVFZSA-N 1 0 379.479 3.544 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)nc1 ZINC000594934382 858339221 /nfs/dbraw/zinc/33/92/21/858339221.db2.gz GFONHXJTSSLYOS-KITAHSCOSA-N 1 0 393.487 3.601 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000594936198 858340088 /nfs/dbraw/zinc/34/00/88/858340088.db2.gz VKKPSVIJBPULEG-PZJWPPBQSA-N 1 0 379.891 3.957 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c(-c2ccccc2)n1 ZINC000594949660 858343455 /nfs/dbraw/zinc/34/34/55/858343455.db2.gz GLXJOKPKHHIIMS-UHFFFAOYSA-N 1 0 386.381 3.562 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)CCOCC2)c1 ZINC000594980307 858356007 /nfs/dbraw/zinc/35/60/07/858356007.db2.gz OYODCFQMIMHOOQ-JOCHJYFZSA-N 1 0 378.472 3.521 20 30 GHEDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000595047712 858379416 /nfs/dbraw/zinc/37/94/16/858379416.db2.gz FOUPEROVGODAOV-ZJSXRUAMSA-N 1 0 394.515 3.544 20 30 GHEDRO CCCOc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000067011101 858395045 /nfs/dbraw/zinc/39/50/45/858395045.db2.gz WPHNRPJPYOCUQL-UHFFFAOYSA-N 1 0 380.492 3.509 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC000595230932 858446547 /nfs/dbraw/zinc/44/65/47/858446547.db2.gz YAJUJPZYQAKKCW-HNNXBMFYSA-N 1 0 380.414 3.821 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC[C@H]21 ZINC000248135153 858542367 /nfs/dbraw/zinc/54/23/67/858542367.db2.gz OXZSCLKJORSUMU-FGZHOGPDSA-N 1 0 389.499 3.694 20 30 GHEDRO CC[N@@H+]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@@H](C)C1 ZINC000595536140 858543200 /nfs/dbraw/zinc/54/32/00/858543200.db2.gz NAWLUPBDMVXKAQ-KRWDZBQOSA-N 1 0 399.583 3.836 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3ccccn3)C1)CCC2 ZINC000595498815 858545946 /nfs/dbraw/zinc/54/59/46/858545946.db2.gz BYUIKIBPJPABDE-HNNXBMFYSA-N 1 0 380.517 3.712 20 30 GHEDRO Cc1ccc(CC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000466177670 858607806 /nfs/dbraw/zinc/60/78/06/858607806.db2.gz IENHUFATEYQOLS-KRWDZBQOSA-N 1 0 382.508 3.554 20 30 GHEDRO CC(C)([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)c1cccc(C#N)c1 ZINC000595641404 858635648 /nfs/dbraw/zinc/63/56/48/858635648.db2.gz KZOVWDJRUHOYOL-UHFFFAOYSA-N 1 0 389.421 3.974 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC(F)CC1 ZINC000595653176 858638480 /nfs/dbraw/zinc/63/84/80/858638480.db2.gz KJJMYGREPKAWQQ-DZIBYMRMSA-N 1 0 386.515 3.739 20 30 GHEDRO C=CCN1C(=O)N(C[C@H](c2ccc(C)cc2)[NH+](C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000761127991 858649374 /nfs/dbraw/zinc/64/93/74/858649374.db2.gz XEPVREMWTCLJBB-FGZHOGPDSA-N 1 0 391.515 3.659 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639274841 858666798 /nfs/dbraw/zinc/66/67/98/858666798.db2.gz KUUCEXAFOQSASQ-KANFNMMFSA-N 1 0 379.342 3.765 20 30 GHEDRO COc1cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000595743355 858672364 /nfs/dbraw/zinc/67/23/64/858672364.db2.gz MVVCMUYLAWKGQA-DTVZVWBHSA-N 1 0 380.488 3.595 20 30 GHEDRO C[C@H]1CCc2ccccc2N1C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595775790 858684088 /nfs/dbraw/zinc/68/40/88/858684088.db2.gz YQWTWGWOKVYZHG-SFHVURJKSA-N 1 0 389.499 3.521 20 30 GHEDRO Cc1c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)oc2ccccc12 ZINC000115835401 858684821 /nfs/dbraw/zinc/68/48/21/858684821.db2.gz XSAWOLVXPYRSBV-UHFFFAOYSA-N 1 0 390.487 3.886 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1Cl ZINC000595790174 858688877 /nfs/dbraw/zinc/68/88/77/858688877.db2.gz UPRZCAZBUNPQPH-IBGZPJMESA-N 1 0 375.900 3.821 20 30 GHEDRO Cc1ccc(CC[C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000466199916 858698441 /nfs/dbraw/zinc/69/84/41/858698441.db2.gz OIRGXBPPHYQYNC-SFHVURJKSA-N 1 0 394.519 3.698 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000593135264 858744661 /nfs/dbraw/zinc/74/46/61/858744661.db2.gz CTHBGPNOJLUEJR-UHFFFAOYSA-N 1 0 393.878 3.869 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)c(Cl)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000596272709 858832499 /nfs/dbraw/zinc/83/24/99/858832499.db2.gz DRHDYNDLXHQZGD-MRXNPFEDSA-N 1 0 397.906 3.760 20 30 GHEDRO CC1(C)Cc2n[nH]cc2C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000596599764 858960131 /nfs/dbraw/zinc/96/01/31/858960131.db2.gz YPEJLWRCBCPRFQ-UHFFFAOYSA-N 1 0 397.548 3.635 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)c1ccccc1 ZINC000160531798 858992526 /nfs/dbraw/zinc/99/25/26/858992526.db2.gz RGQIQGSRMGCCSP-FQEVSTJZSA-N 1 0 380.492 3.629 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@]34CCCC[C@@H]3C4(F)F)CC2)cc1 ZINC000596692624 859009052 /nfs/dbraw/zinc/00/90/52/859009052.db2.gz CNLVJGQBDAJQAC-FPOVZHCZSA-N 1 0 387.474 3.808 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1 ZINC000596692606 859009186 /nfs/dbraw/zinc/00/91/86/859009186.db2.gz CAEMUILNZKPCJV-UHFFFAOYSA-N 1 0 386.455 3.561 20 30 GHEDRO Cc1ccc(NC(=O)NC(C)(C)c2cccc(C#N)c2)c(OCC[NH+](C)C)c1 ZINC000596748082 859040732 /nfs/dbraw/zinc/04/07/32/859040732.db2.gz BFKALKBESNWUEY-UHFFFAOYSA-N 1 0 380.492 3.864 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000522322783 859046154 /nfs/dbraw/zinc/04/61/54/859046154.db2.gz QDXHANDARXMWHH-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1(C#N)CCCCC1 ZINC000596863804 859143145 /nfs/dbraw/zinc/14/31/45/859143145.db2.gz OONWLPIUANWMKR-UHFFFAOYSA-N 1 0 378.467 3.512 20 30 GHEDRO CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000596910723 859165767 /nfs/dbraw/zinc/16/57/67/859165767.db2.gz MSKDKWQNLZGAKX-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)CO)c1C#N ZINC000483135006 859172865 /nfs/dbraw/zinc/17/28/65/859172865.db2.gz DINSMJTWWXADGG-HNNXBMFYSA-N 1 0 386.540 3.513 20 30 GHEDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1CCC1 ZINC000483141756 859177373 /nfs/dbraw/zinc/17/73/73/859177373.db2.gz HSHBMGCWQWRGSX-HNNXBMFYSA-N 1 0 389.565 3.700 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000923292043 859207330 /nfs/dbraw/zinc/20/73/30/859207330.db2.gz WMDZJTCEPNXCLC-VQTJNVASSA-N 1 0 375.472 3.854 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001141777241 859217083 /nfs/dbraw/zinc/21/70/83/859217083.db2.gz APCQBXFVPDDHGI-JPYJTQIMSA-N 1 0 393.531 3.943 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Br)c(F)c1 ZINC000494267578 881396555 /nfs/dbraw/zinc/39/65/55/881396555.db2.gz HVXKJICWCCHOSW-UHFFFAOYSA-N 1 0 390.256 3.920 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1 ZINC000596995830 859235748 /nfs/dbraw/zinc/23/57/48/859235748.db2.gz LUQOMKRWYNCHGA-HSZRJFAPSA-N 1 0 378.472 3.769 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060414285 859238256 /nfs/dbraw/zinc/23/82/56/859238256.db2.gz KFMCFUXQZKVCNH-MOPGFXCFSA-N 1 0 391.515 3.874 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000764166096 859253356 /nfs/dbraw/zinc/25/33/56/859253356.db2.gz KXMAREHZFQSMTM-UHFFFAOYSA-N 1 0 375.432 3.583 20 30 GHEDRO CC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469611 859323763 /nfs/dbraw/zinc/32/37/63/859323763.db2.gz QIHCUOUQIGDVSM-VGOFRKELSA-N 1 0 395.478 3.680 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000499727731 859337819 /nfs/dbraw/zinc/33/78/19/859337819.db2.gz FOBSOUFIAYJCKT-GOSISDBHSA-N 1 0 381.476 3.725 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)Cc1ccccc1 ZINC000593305578 859351152 /nfs/dbraw/zinc/35/11/52/859351152.db2.gz KOIGWCRJBZBFKP-OAQYLSRUSA-N 1 0 376.504 3.537 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@H]3CCCCc4cc(Br)ccc43)cnc12 ZINC000597235517 859368128 /nfs/dbraw/zinc/36/81/28/859368128.db2.gz IUTHUPQIMSXHJW-SFHVURJKSA-N 1 0 396.292 3.921 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C(C)(C)C)c(OC)c1 ZINC000474157772 859380616 /nfs/dbraw/zinc/38/06/16/859380616.db2.gz CQTFJQPLBRFWAI-IBGZPJMESA-N 1 0 398.503 3.616 20 30 GHEDRO N#CCCn1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(-c2ccccc2)n1 ZINC000597248445 859392952 /nfs/dbraw/zinc/39/29/52/859392952.db2.gz VZTCPSYGIADOPJ-ZRZAMGCNSA-N 1 0 376.504 3.856 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnc4ccc(F)cc4c3)CC2)c1 ZINC000593352310 859533626 /nfs/dbraw/zinc/53/36/26/859533626.db2.gz YMRFKESTKWPCKW-UHFFFAOYSA-N 1 0 388.446 3.640 20 30 GHEDRO Cc1cccc(CSCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593352340 859534019 /nfs/dbraw/zinc/53/40/19/859534019.db2.gz GPRINNTWYYAGRW-UHFFFAOYSA-N 1 0 393.556 3.881 20 30 GHEDRO C[C@@H](OC1CCCCCC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352510 859535123 /nfs/dbraw/zinc/53/51/23/859535123.db2.gz DFCHBRZCJLJPOZ-GOSISDBHSA-N 1 0 383.536 3.767 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3OC3CCC3)CC2)c1 ZINC000593352451 859535242 /nfs/dbraw/zinc/53/52/42/859535242.db2.gz ATGZBWXKWPDYPM-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@]34CCCc3ccccc34)CC2)c1 ZINC000593352859 859536962 /nfs/dbraw/zinc/53/69/62/859536962.db2.gz GCOHEJGCERPMOJ-AHWVRZQESA-N 1 0 399.538 3.933 20 30 GHEDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352890 859537268 /nfs/dbraw/zinc/53/72/68/859537268.db2.gz GWZBZUMBRJLVPB-VQTJNVASSA-N 1 0 379.529 3.813 20 30 GHEDRO CCc1ccc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593353695 859548959 /nfs/dbraw/zinc/54/89/59/859548959.db2.gz VGVYYADYSLSBDP-UHFFFAOYSA-N 1 0 375.516 3.834 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnc4ccsc4c3)CC2)c1 ZINC000593354117 859550924 /nfs/dbraw/zinc/55/09/24/859550924.db2.gz MCYSFMLJPVPQGY-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO N#CC1(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000597475615 859563184 /nfs/dbraw/zinc/56/31/84/859563184.db2.gz LGUSFQWVAGLRPH-RXVVDRJESA-N 1 0 387.474 3.877 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597468447 859576312 /nfs/dbraw/zinc/57/63/12/859576312.db2.gz RXUGGKZWBZACCB-UHFFFAOYSA-N 1 0 384.430 3.610 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)c1 ZINC000593359937 859586087 /nfs/dbraw/zinc/58/60/87/859586087.db2.gz RXIQJVSOKSGZRW-FCHUYYIVSA-N 1 0 380.536 3.791 20 30 GHEDRO COc1cccc([C@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)[NH+](C)C)c1 ZINC000611092828 859606921 /nfs/dbraw/zinc/60/69/21/859606921.db2.gz PFRZOCHXKQSUDL-KRWDZBQOSA-N 1 0 392.286 3.906 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000474210637 859615090 /nfs/dbraw/zinc/61/50/90/859615090.db2.gz JZQQILPWKYRFEY-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000429583009 859637268 /nfs/dbraw/zinc/63/72/68/859637268.db2.gz ICXMWBNHWXVVLO-XMSQKQJNSA-N 1 0 391.515 3.742 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000593371852 859654266 /nfs/dbraw/zinc/65/42/66/859654266.db2.gz UAZDZOLTFWTSLV-UHFFFAOYSA-N 1 0 398.510 3.822 20 30 GHEDRO COCC[N@H+](Cc1c[nH]nc1-c1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000611257781 859669246 /nfs/dbraw/zinc/66/92/46/859669246.db2.gz VGZQHXSEKYFFCD-UHFFFAOYSA-N 1 0 376.460 3.606 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H]([NH+]3CCCC3)C2)c1=S ZINC000764962897 859711096 /nfs/dbraw/zinc/71/10/96/859711096.db2.gz MUBNEWICHDUXIP-SFHVURJKSA-N 1 0 383.565 3.703 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[NH+](C3CCC3)CC2)c1=S ZINC000764995730 859722239 /nfs/dbraw/zinc/72/22/39/859722239.db2.gz PXVQRPMNIBDGOD-UHFFFAOYSA-N 1 0 383.565 3.703 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000466490057 859725769 /nfs/dbraw/zinc/72/57/69/859725769.db2.gz WUWTUSLDFLSIFE-UHFFFAOYSA-N 1 0 384.411 3.561 20 30 GHEDRO CCOc1ccc2nc(NC(=O)C[NH2+][C@@H](C)c3cccc(C#N)c3)sc2c1 ZINC000611386809 859731585 /nfs/dbraw/zinc/73/15/85/859731585.db2.gz AEOXVIWWBKRMLD-ZDUSSCGKSA-N 1 0 380.473 3.856 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc(C#N)c1 ZINC000611388388 859731712 /nfs/dbraw/zinc/73/17/12/859731712.db2.gz HJRRWSRHGJRTRS-INIZCTEOSA-N 1 0 385.471 3.911 20 30 GHEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000611387719 859732999 /nfs/dbraw/zinc/73/29/99/859732999.db2.gz FSZHKLBEYRQPBN-IERDGZPVSA-N 1 0 393.487 3.590 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCCCC2)nc1-c1ccccn1 ZINC000765007501 859733628 /nfs/dbraw/zinc/73/36/28/859733628.db2.gz FUHMPQKLKOYLQP-SFHVURJKSA-N 1 0 398.580 3.570 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000611391710 859735224 /nfs/dbraw/zinc/73/52/24/859735224.db2.gz BMXRRFGSALVZDN-XZOQPEGZSA-N 1 0 379.479 3.738 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000611390279 859740777 /nfs/dbraw/zinc/74/07/77/859740777.db2.gz NZCQFUOUDZUCKN-DHIUTWEWSA-N 1 0 379.479 3.738 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000611391080 859742353 /nfs/dbraw/zinc/74/23/53/859742353.db2.gz RAUUDEMUGYYHQC-LJQANCHMSA-N 1 0 398.304 3.718 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@H](C[N@@H+](C)CCC)C2)c1=S ZINC000765038658 859743770 /nfs/dbraw/zinc/74/37/70/859743770.db2.gz OEVIKAJKCPHNDE-MRXNPFEDSA-N 1 0 391.610 3.950 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3C[C@H]3c3ccccc3)CC2)c1 ZINC000593408164 859777459 /nfs/dbraw/zinc/77/74/59/859777459.db2.gz RVMRSEOVEVIPCV-GMAHTHKFSA-N 1 0 388.515 3.626 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000611500695 859787379 /nfs/dbraw/zinc/78/73/79/859787379.db2.gz QXRJZIRCVMVTKY-AWEZNQCLSA-N 1 0 379.298 3.876 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3CCC(C(F)F)CC3)CC2)c1 ZINC000593415453 859792466 /nfs/dbraw/zinc/79/24/66/859792466.db2.gz YUJXLVOAVCAURH-UHFFFAOYSA-N 1 0 390.478 3.646 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC(C(F)F)CC2)c1=S ZINC000765148318 859807252 /nfs/dbraw/zinc/80/72/52/859807252.db2.gz VLGRBYDYYHDUSV-UHFFFAOYSA-N 1 0 399.555 3.563 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCC(C)(C)CO ZINC000925129501 859829387 /nfs/dbraw/zinc/82/93/87/859829387.db2.gz JBAGAKFUNCFNRM-KRWDZBQOSA-N 1 0 381.561 3.694 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000765247098 859864401 /nfs/dbraw/zinc/86/44/01/859864401.db2.gz PLROAFZAIYEQKD-JXFKEZNVSA-N 1 0 388.471 3.501 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466531184 859890363 /nfs/dbraw/zinc/89/03/63/859890363.db2.gz XHTGXKBKMRUROJ-AUSIDOKSSA-N 1 0 388.515 3.919 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466531187 859890718 /nfs/dbraw/zinc/89/07/18/859890718.db2.gz XHTGXKBKMRUROJ-XXBNENTESA-N 1 0 388.515 3.919 20 30 GHEDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2nc(C)c(SCC#N)s2)cc1 ZINC000895749145 859895116 /nfs/dbraw/zinc/89/51/16/859895116.db2.gz WYZNODXDXHMVRD-HNNXBMFYSA-N 1 0 390.534 3.754 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000484334776 859953448 /nfs/dbraw/zinc/95/34/48/859953448.db2.gz DBKGUJNKMKJPCI-QFIPXVFZSA-N 1 0 397.567 3.725 20 30 GHEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508916584 859995608 /nfs/dbraw/zinc/99/56/08/859995608.db2.gz GZRWCXBUBVNJCW-UHFFFAOYSA-N 1 0 386.500 3.594 20 30 GHEDRO C=CCC1(O)CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000895834659 859997229 /nfs/dbraw/zinc/99/72/29/859997229.db2.gz OAYGFZGHCRMNBP-UHFFFAOYSA-N 1 0 382.327 3.804 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C[C@H]1C(F)(F)F ZINC000895862499 860001019 /nfs/dbraw/zinc/00/10/19/860001019.db2.gz XPBVRZBNDNLEDK-BSDSXHPESA-N 1 0 380.410 3.525 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000765505456 860024590 /nfs/dbraw/zinc/02/45/90/860024590.db2.gz VDUKRUJHIPJYPH-KUHUBIRLSA-N 1 0 379.378 3.981 20 30 GHEDRO CCC[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC000499867145 860037098 /nfs/dbraw/zinc/03/70/98/860037098.db2.gz OUXCVDRKWLSGOK-INIZCTEOSA-N 1 0 398.429 3.542 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)c1 ZINC000593510024 860048694 /nfs/dbraw/zinc/04/86/94/860048694.db2.gz JTCJQOZPVMPATP-QGZVFWFLSA-N 1 0 394.441 3.507 20 30 GHEDRO C[C@H](c1ccccc1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593509241 860061421 /nfs/dbraw/zinc/06/14/21/860061421.db2.gz BVGXSMGMJLZLML-GOSISDBHSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000602519430 860072133 /nfs/dbraw/zinc/07/21/33/860072133.db2.gz YGLXXKPXPFBAES-MRXNPFEDSA-N 1 0 377.479 3.618 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000602530277 860100426 /nfs/dbraw/zinc/10/04/26/860100426.db2.gz RIXHKDXBSLRHSY-KRWDZBQOSA-N 1 0 378.476 3.522 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598194328 860122947 /nfs/dbraw/zinc/12/29/47/860122947.db2.gz FRTCCCAWGIQSFE-CVDCTZTESA-N 1 0 375.516 3.512 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000598194355 860122969 /nfs/dbraw/zinc/12/29/69/860122969.db2.gz GAIIQWCTXGLNQN-NRFANRHFSA-N 1 0 386.499 3.554 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H](C4CCCC4)C3)CC2)c1 ZINC000593519055 860170661 /nfs/dbraw/zinc/17/06/61/860170661.db2.gz ZWLKUCKUKMPSSX-NRFANRHFSA-N 1 0 380.536 3.744 20 30 GHEDRO Cc1cc(Br)cn2cc(C[NH2+][C@H](C)CC3(C#N)CCOCC3)nc12 ZINC000602613060 860171528 /nfs/dbraw/zinc/17/15/28/860171528.db2.gz MUTPESOHGWUTAH-CQSZACIVSA-N 1 0 391.313 3.594 20 30 GHEDRO COC(=O)c1csc(-c2cccc(C[NH2+][C@H](C)CC3(C#N)CCOCC3)c2)n1 ZINC000602632846 860185769 /nfs/dbraw/zinc/18/57/69/860185769.db2.gz JYPNKDONKBYKHG-OAHLLOKOSA-N 1 0 399.516 3.785 20 30 GHEDRO C[NH+](C)C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000602730260 860240642 /nfs/dbraw/zinc/24/06/42/860240642.db2.gz ZRRPADPQJVWNTB-GOSISDBHSA-N 1 0 387.409 3.617 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000602736244 860243478 /nfs/dbraw/zinc/24/34/78/860243478.db2.gz OOHVUYPDJPBWPE-DUOKCRBOSA-N 1 0 375.310 3.776 20 30 GHEDRO N#C[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC12CCCC2 ZINC000598397000 860278227 /nfs/dbraw/zinc/27/82/27/860278227.db2.gz RIJDLGIDFSXNTD-RDPSFJRHSA-N 1 0 377.532 3.879 20 30 GHEDRO N#Cc1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(Cl)c1 ZINC000598397394 860281401 /nfs/dbraw/zinc/28/14/01/860281401.db2.gz VHYHASRJPWINJX-GOSISDBHSA-N 1 0 394.906 3.639 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc2ccccc2c1 ZINC000508964806 860303340 /nfs/dbraw/zinc/30/33/40/860303340.db2.gz QAMBGLYHFDOCLS-UHFFFAOYSA-N 1 0 387.483 3.681 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)c1ccccc1 ZINC000474545843 860329801 /nfs/dbraw/zinc/32/98/01/860329801.db2.gz UKAGVRDKRCEGBG-LJQANCHMSA-N 1 0 380.492 3.629 20 30 GHEDRO COc1ccnc(N2CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)c1 ZINC001170398935 881532866 /nfs/dbraw/zinc/53/28/66/881532866.db2.gz WYNJUBWVZNEVJG-UHFFFAOYSA-N 1 0 376.504 3.616 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNc2nc3ncccc3cc2C#N)CCOCC1 ZINC000896101040 860356271 /nfs/dbraw/zinc/35/62/71/860356271.db2.gz CHMFVTVTOVAIJU-UHFFFAOYSA-N 1 0 387.487 3.595 20 30 GHEDRO COc1cnc(OC2CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)nc1 ZINC001170397391 881530392 /nfs/dbraw/zinc/53/03/92/881530392.db2.gz AQORWGRSQKXISD-UHFFFAOYSA-N 1 0 392.503 3.733 20 30 GHEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2cccs2)n1 ZINC000093969298 860383538 /nfs/dbraw/zinc/38/35/38/860383538.db2.gz DTUXZRPTPBBCAS-UHFFFAOYSA-N 1 0 393.516 3.895 20 30 GHEDRO COc1cccnc1O[C@H]1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399084 881532759 /nfs/dbraw/zinc/53/27/59/881532759.db2.gz YJSOUDDBDUBOPV-KQVJYAISSA-N 1 0 377.488 3.947 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000904381207 860397148 /nfs/dbraw/zinc/39/71/48/860397148.db2.gz LOOLWONNNDYVLC-XLIONFOSSA-N 1 0 382.851 3.589 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c2ccc(OC)cc2)cc1 ZINC000598595450 860438108 /nfs/dbraw/zinc/43/81/08/860438108.db2.gz TYGPGBRIGXHJLC-KNQAVFIVSA-N 1 0 382.504 3.878 20 30 GHEDRO C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508987071 860439075 /nfs/dbraw/zinc/43/90/75/860439075.db2.gz MBTDTQRFYWSHRT-UHFFFAOYSA-N 1 0 385.943 3.773 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)CC1 ZINC000329845710 860445114 /nfs/dbraw/zinc/44/51/14/860445114.db2.gz LYBHILBANWDGOB-UHFFFAOYSA-N 1 0 392.503 3.986 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 ZINC000729977124 860480976 /nfs/dbraw/zinc/48/09/76/860480976.db2.gz JMZUAIGUYVPYAT-QHCPKHFHSA-N 1 0 388.515 3.761 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000922697452 860485123 /nfs/dbraw/zinc/48/51/23/860485123.db2.gz OAQPPBNRBJKCQB-MOPGFXCFSA-N 1 0 381.442 3.612 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000508999537 860487503 /nfs/dbraw/zinc/48/75/03/860487503.db2.gz HFKZFBHEPUXPJT-UHFFFAOYSA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000896210305 860544736 /nfs/dbraw/zinc/54/47/36/860544736.db2.gz JEBHYMYLJOOUFV-FGTMMUONSA-N 1 0 379.545 3.568 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000509014015 860546310 /nfs/dbraw/zinc/54/63/10/860546310.db2.gz WBHSEPUSWYQLQV-SFHVURJKSA-N 1 0 385.581 3.766 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000155653552 860568152 /nfs/dbraw/zinc/56/81/52/860568152.db2.gz VKZTVLZGQINUGR-QUCCMNQESA-N 1 0 383.442 3.530 20 30 GHEDRO CC(C)C(=O)N1CC[C@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)CC[C@H]21 ZINC001170381232 881557651 /nfs/dbraw/zinc/55/76/51/881557651.db2.gz KJPFASCLVBPISR-ZVMVMLJZSA-N 1 0 379.548 3.969 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1OC ZINC000922807517 860631277 /nfs/dbraw/zinc/63/12/77/860631277.db2.gz CAKXVOGMBPFKJL-MRXNPFEDSA-N 1 0 381.900 3.731 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[NH+]2CCCC2)c1 ZINC000125315011 860637161 /nfs/dbraw/zinc/63/71/61/860637161.db2.gz YUPFREWNJTYDJD-OAQYLSRUSA-N 1 0 378.476 3.720 20 30 GHEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000557025548 881564230 /nfs/dbraw/zinc/56/42/30/881564230.db2.gz KXSLNIBGIVIHGY-LJQANCHMSA-N 1 0 379.464 3.645 20 30 GHEDRO Cc1cn2c(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)c(C)nc2s1 ZINC000125409572 860659821 /nfs/dbraw/zinc/65/98/21/860659821.db2.gz KRPATLPKCRBBQU-UHFFFAOYSA-N 1 0 381.505 3.759 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000429017417 860701826 /nfs/dbraw/zinc/70/18/26/860701826.db2.gz FLGYIHCTWNPRNB-CTNGQTDRSA-N 1 0 383.536 3.687 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474743582 860706484 /nfs/dbraw/zinc/70/64/84/860706484.db2.gz BJBXDMQHQXGGGH-IBGZPJMESA-N 1 0 378.476 3.695 20 30 GHEDRO CCOc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c(F)cc1OC ZINC000599004822 860722966 /nfs/dbraw/zinc/72/29/66/860722966.db2.gz HVCLWSBZBCACSW-UHFFFAOYSA-N 1 0 384.451 3.900 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2C)CC1 ZINC000730069491 860858997 /nfs/dbraw/zinc/85/89/97/860858997.db2.gz DOGWUSYDVNDJHS-UHFFFAOYSA-N 1 0 391.515 3.757 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000599165762 860865721 /nfs/dbraw/zinc/86/57/21/860865721.db2.gz UGNYBOWYDZOHME-UHFFFAOYSA-N 1 0 377.794 3.546 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)s2)cn1 ZINC000593692334 860884657 /nfs/dbraw/zinc/88/46/57/860884657.db2.gz BUCVWFHOMUXGFV-UHFFFAOYSA-N 1 0 391.544 3.774 20 30 GHEDRO CCOc1cccc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000600081432 860921295 /nfs/dbraw/zinc/92/12/95/860921295.db2.gz LGCUVUDEXUHCGE-UHFFFAOYSA-N 1 0 391.515 3.670 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000017363112 860953492 /nfs/dbraw/zinc/95/34/92/860953492.db2.gz YBNGIYQRZSCWMO-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC1 ZINC000329033483 860963570 /nfs/dbraw/zinc/96/35/70/860963570.db2.gz MAKQUQCQVKRERS-LPHOPBHVSA-N 1 0 377.504 3.670 20 30 GHEDRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(OC[C@H]2CCCO2)c1 ZINC000329033976 860963826 /nfs/dbraw/zinc/96/38/26/860963826.db2.gz BVNKTTOIYCFDND-RTBURBONSA-N 1 0 387.524 3.659 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CCOCC1 ZINC000599265119 860995768 /nfs/dbraw/zinc/99/57/68/860995768.db2.gz RLWSQEFBZDKKQT-HOTGVXAUSA-N 1 0 380.891 3.557 20 30 GHEDRO COc1ccccc1NC(=O)[C@@H](C)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000329091361 861008224 /nfs/dbraw/zinc/00/82/24/861008224.db2.gz ADBNGNXXIOEDTN-QZTJIDSGSA-N 1 0 399.535 3.786 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000603663773 861017909 /nfs/dbraw/zinc/01/79/09/861017909.db2.gz KFMCFUXQZKVCNH-OALUTQOASA-N 1 0 391.515 3.874 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)CCOCC1 ZINC000599271147 861020801 /nfs/dbraw/zinc/02/08/01/861020801.db2.gz JKTYJGXCXWEXQJ-JOCHJYFZSA-N 1 0 382.479 3.899 20 30 GHEDRO CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000599304583 861048239 /nfs/dbraw/zinc/04/82/39/861048239.db2.gz YIPXUYUYJWTOAD-SFTDATJTSA-N 1 0 376.516 3.786 20 30 GHEDRO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000329141910 861062498 /nfs/dbraw/zinc/06/24/98/861062498.db2.gz KUWMUCDBKAPCDM-FQEVSTJZSA-N 1 0 380.492 3.552 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000599325048 861065902 /nfs/dbraw/zinc/06/59/02/861065902.db2.gz DRIKMFDKEGMFLQ-KRWDZBQOSA-N 1 0 376.378 3.596 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)CC1 ZINC000730380546 861068856 /nfs/dbraw/zinc/06/88/56/861068856.db2.gz HVEIQHBRRGRFQW-GOSISDBHSA-N 1 0 398.551 3.782 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCOCC1 ZINC000599347904 861084244 /nfs/dbraw/zinc/08/42/44/861084244.db2.gz WOOOYRHQVNLZSV-FQEVSTJZSA-N 1 0 386.442 3.715 20 30 GHEDRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329168348 861093376 /nfs/dbraw/zinc/09/33/76/861093376.db2.gz IZUWPTIHHODNQK-RBDMOPTHSA-N 1 0 397.563 3.959 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)COc3ccccc3C#N)c(C)c2c1 ZINC000599358098 861121071 /nfs/dbraw/zinc/12/10/71/861121071.db2.gz DGARAKFXLPNYBL-RDJZCZTQSA-N 1 0 380.444 3.712 20 30 GHEDRO C=CCOc1c(Cl)cc(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000623507730 861125313 /nfs/dbraw/zinc/12/53/13/861125313.db2.gz XSYCCCKEEPTICN-MRXNPFEDSA-N 1 0 382.932 3.504 20 30 GHEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)C1=O ZINC000329196115 861126272 /nfs/dbraw/zinc/12/62/72/861126272.db2.gz UPNMMTXQEACMSQ-VSKRKVRLSA-N 1 0 391.515 3.595 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000599395594 861160298 /nfs/dbraw/zinc/16/02/98/861160298.db2.gz BGZCFCHFWGBREC-GOSISDBHSA-N 1 0 380.891 3.672 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)CCOCC1 ZINC000599405323 861173661 /nfs/dbraw/zinc/17/36/61/861173661.db2.gz VDCRHYZEEODKAP-NRFANRHFSA-N 1 0 396.556 3.789 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001141902927 861188482 /nfs/dbraw/zinc/18/84/82/861188482.db2.gz JXNNCIWPFGCSCK-PMACEKPBSA-N 1 0 396.332 3.885 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000733744196 863139777 /nfs/dbraw/zinc/13/97/77/863139777.db2.gz CBZUIRFIRDPHQS-FUHWJXTLSA-N 1 0 381.524 3.859 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000733848004 863200607 /nfs/dbraw/zinc/20/06/07/863200607.db2.gz KBCVUICDOPFOJL-SFGWALBWSA-N 1 0 386.540 3.677 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)cc(OC)c1O ZINC000482490407 863211894 /nfs/dbraw/zinc/21/18/94/863211894.db2.gz NTHMTFSFXSEQDH-NWSQWKLXSA-N 1 0 383.488 3.844 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000733851653 863218038 /nfs/dbraw/zinc/21/80/38/863218038.db2.gz GGQBMZHFZHMWEK-FQEVSTJZSA-N 1 0 384.524 3.527 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000444058542 863235631 /nfs/dbraw/zinc/23/56/31/863235631.db2.gz PUWTVMZPAKKRON-UHFFFAOYSA-N 1 0 377.897 3.854 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000522775183 863255850 /nfs/dbraw/zinc/25/58/50/863255850.db2.gz BIUCDGQJAUPOLE-OAHLLOKOSA-N 1 0 380.439 3.936 20 30 GHEDRO COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)ccc1C#N ZINC000281596887 863261312 /nfs/dbraw/zinc/26/13/12/863261312.db2.gz FLDIDASZAAPXHC-UHFFFAOYSA-N 1 0 382.483 3.848 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1OCC#N ZINC000282677004 863284302 /nfs/dbraw/zinc/28/43/02/863284302.db2.gz HJIJBPMUYGUNRF-NRFANRHFSA-N 1 0 377.488 3.619 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CCC2)cc1 ZINC000593937003 863424961 /nfs/dbraw/zinc/42/49/61/863424961.db2.gz MCQRXQPCNOPGCA-LJQANCHMSA-N 1 0 378.476 3.667 20 30 GHEDRO Cc1c([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cnn1-c1ccc(F)cc1 ZINC000182996194 863437670 /nfs/dbraw/zinc/43/76/70/863437670.db2.gz IKQZYDVJJNVEAV-INIZCTEOSA-N 1 0 397.498 3.655 20 30 GHEDRO COc1ccc(Cl)cc1CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000281930004 863502141 /nfs/dbraw/zinc/50/21/41/863502141.db2.gz HYHNPNPUPLEMBV-UHFFFAOYSA-N 1 0 391.943 3.567 20 30 GHEDRO C[C@H]([NH2+]CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000856733240 881698894 /nfs/dbraw/zinc/69/88/94/881698894.db2.gz UBTKSWOBOPCBCG-LAEQJVAUSA-N 1 0 385.508 3.502 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3nc(-c4ccco4)cs3)CCC2)cc1 ZINC000594033574 863834544 /nfs/dbraw/zinc/83/45/44/863834544.db2.gz UGHXRYRVFGGAQQ-UHFFFAOYSA-N 1 0 378.457 3.882 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000734166463 864044273 /nfs/dbraw/zinc/04/42/73/864044273.db2.gz WCIITCKBFFHWER-UHFFFAOYSA-N 1 0 379.504 3.538 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c(-c2ccncc2)n1 ZINC000898511501 864048720 /nfs/dbraw/zinc/04/87/20/864048720.db2.gz CMWAMRIZAAWQCI-HXUWFJFHSA-N 1 0 377.879 3.769 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000172899473 864095398 /nfs/dbraw/zinc/09/53/98/864095398.db2.gz ZCNCFOSFZGEUIE-MDZDMXLPSA-N 1 0 396.560 3.916 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000734363740 864177194 /nfs/dbraw/zinc/17/71/94/864177194.db2.gz ONRKOSVFGRDQET-PFRQMTDMSA-N 1 0 387.597 3.568 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000734400869 864196891 /nfs/dbraw/zinc/19/68/91/864196891.db2.gz KCPFQQPXOPPYBT-UHFFFAOYSA-N 1 0 380.492 3.587 20 30 GHEDRO CC(C)N1C(=O)C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000480243431 864307233 /nfs/dbraw/zinc/30/72/33/864307233.db2.gz DRRIZCIWPMTXKM-AZUAARDMSA-N 1 0 388.874 3.529 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(=NNC(=S)Nc3ccc(F)cc3)CC2)cc1 ZINC000063358782 864592330 /nfs/dbraw/zinc/59/23/30/864592330.db2.gz XZIJOHTXXHZDFV-UHFFFAOYSA-N 1 0 381.480 3.636 20 30 GHEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000735228005 864671708 /nfs/dbraw/zinc/67/17/08/864671708.db2.gz LXZNKCJOGINVRQ-AWEZNQCLSA-N 1 0 382.961 3.751 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)cc1 ZINC000030901209 864714212 /nfs/dbraw/zinc/71/42/12/864714212.db2.gz HTPABTOBGFAOCK-UHFFFAOYSA-N 1 0 378.398 3.662 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000735305584 864718473 /nfs/dbraw/zinc/71/84/73/864718473.db2.gz AJZDSJQUCMPCPO-INIZCTEOSA-N 1 0 399.926 3.940 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000475302101 864737950 /nfs/dbraw/zinc/73/79/50/864737950.db2.gz KGERFKGGQZNRED-PKOBYXMFSA-N 1 0 385.552 3.808 20 30 GHEDRO COC(=O)[C@@H](C)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000184771714 864926729 /nfs/dbraw/zinc/92/67/29/864926729.db2.gz ZGUVOLRKODTTGQ-SFHVURJKSA-N 1 0 391.515 3.986 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC[C@@H]21 ZINC000154871545 865065756 /nfs/dbraw/zinc/06/57/56/865065756.db2.gz LNOLQANMDRJWDL-GGAORHGYSA-N 1 0 389.499 3.694 20 30 GHEDRO C=C(Cl)CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000736971536 865331995 /nfs/dbraw/zinc/33/19/95/865331995.db2.gz IONPMFXAGZOHIU-UHFFFAOYSA-N 1 0 378.904 3.765 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)CC1 ZINC000171715116 865341915 /nfs/dbraw/zinc/34/19/15/865341915.db2.gz UOQMZGAQXPHPLH-KRWDZBQOSA-N 1 0 379.504 3.611 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000171722419 865344667 /nfs/dbraw/zinc/34/46/67/865344667.db2.gz ZIFVSXYZNPVJKD-UHFFFAOYSA-N 1 0 387.574 3.708 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC000301414552 865348085 /nfs/dbraw/zinc/34/80/85/865348085.db2.gz ZQZPEARBJAKVHN-UHFFFAOYSA-N 1 0 376.504 3.737 20 30 GHEDRO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c1 ZINC000174128587 865476628 /nfs/dbraw/zinc/47/66/28/865476628.db2.gz LODKJZYCDOZBNE-UHFFFAOYSA-N 1 0 380.492 3.569 20 30 GHEDRO CCS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000480917668 865506869 /nfs/dbraw/zinc/50/68/69/865506869.db2.gz ZGCGJGAFNGLPRL-ROUUACIJSA-N 1 0 389.565 3.938 20 30 GHEDRO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCCOc2ccc(C#N)cc2)cn1 ZINC000738308221 865526500 /nfs/dbraw/zinc/52/65/00/865526500.db2.gz FLDGVWBOJOHXJQ-QFIPXVFZSA-N 1 0 378.451 3.921 20 30 GHEDRO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCCOc2ccc(C#N)cc2)cn1 ZINC000738308217 865526586 /nfs/dbraw/zinc/52/65/86/865526586.db2.gz FLDGVWBOJOHXJQ-JOCHJYFZSA-N 1 0 378.451 3.921 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608678734 865582991 /nfs/dbraw/zinc/58/29/91/865582991.db2.gz KBELAIANTOJEJQ-NRFANRHFSA-N 1 0 379.504 3.667 20 30 GHEDRO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000594299272 865706892 /nfs/dbraw/zinc/70/68/92/865706892.db2.gz HJIKBKLKPMOCEF-NRFANRHFSA-N 1 0 399.498 3.821 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000608812503 865718532 /nfs/dbraw/zinc/71/85/32/865718532.db2.gz QVHKGLMSXUTYHF-IRXDYDNUSA-N 1 0 381.476 3.580 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC000740737637 865976231 /nfs/dbraw/zinc/97/62/31/865976231.db2.gz GQIJBWJTSHEMJA-UHFFFAOYSA-N 1 0 383.923 3.965 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1 ZINC000740737926 865976296 /nfs/dbraw/zinc/97/62/96/865976296.db2.gz ZOSZGCNRYATVKD-UHFFFAOYSA-N 1 0 396.918 3.990 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C[C@@H]1C ZINC000740840815 866035890 /nfs/dbraw/zinc/03/58/90/866035890.db2.gz FXRYHPMEBAQDMB-HRAATJIYSA-N 1 0 378.520 3.911 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3[nH]c4ccccc4c3C#N)cc2)CC1 ZINC000897306908 866100505 /nfs/dbraw/zinc/10/05/05/866100505.db2.gz CXUKOIQYRFTECD-UHFFFAOYSA-N 1 0 387.487 3.822 20 30 GHEDRO C[C@@H](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+]1CCCCC1 ZINC000183109751 866211126 /nfs/dbraw/zinc/21/11/26/866211126.db2.gz QUKMQSRHFXZFAQ-KRWDZBQOSA-N 1 0 381.476 3.725 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)sc2c1CCC2 ZINC000151922027 866269484 /nfs/dbraw/zinc/26/94/84/866269484.db2.gz LYYLSPZEBFHOOQ-WMLDXEAASA-N 1 0 399.516 3.618 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2CN2CCOCC2)cc1 ZINC000303776933 866331118 /nfs/dbraw/zinc/33/11/18/866331118.db2.gz ICLGREYNRSSPIR-SFHVURJKSA-N 1 0 380.536 3.959 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3ccc(OCC#N)cc3)cc2)CC1 ZINC000183184611 866343798 /nfs/dbraw/zinc/34/37/98/866343798.db2.gz WWZPABDMRYVKOW-IBGZPJMESA-N 1 0 378.520 3.900 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC3([C@H]4CCCCO4)CCC3)CC2)c1 ZINC001168074370 866464101 /nfs/dbraw/zinc/46/41/01/866464101.db2.gz RFBSDEBBVDQICM-OAQYLSRUSA-N 1 0 381.520 3.948 20 30 GHEDRO CC(C)CC(=O)Nc1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000304466463 866498304 /nfs/dbraw/zinc/49/83/04/866498304.db2.gz BSSGSXJOWSBKKC-IBGZPJMESA-N 1 0 380.492 3.599 20 30 GHEDRO [NH2+]=C(NCC#Cc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCCO2 ZINC000262532318 866504291 /nfs/dbraw/zinc/50/42/91/866504291.db2.gz OGDCYZCHCVAPSB-UHFFFAOYSA-N 1 0 389.377 3.645 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741725816 866755038 /nfs/dbraw/zinc/75/50/38/866755038.db2.gz IRDCNYMYYIAXAQ-QGZVFWFLSA-N 1 0 384.426 3.828 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)ccc1Cl ZINC000444630914 866989598 /nfs/dbraw/zinc/98/95/98/866989598.db2.gz JCPWLVAAEGDCQG-QGZVFWFLSA-N 1 0 377.916 3.831 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1)C[C@H]1CCCCO1 ZINC000476566229 882043768 /nfs/dbraw/zinc/04/37/68/882043768.db2.gz WFCBFMWGFBNQOP-JOCHJYFZSA-N 1 0 392.503 3.985 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000553364901 867269991 /nfs/dbraw/zinc/26/99/91/867269991.db2.gz BJVXXPZEMUEKPA-WZONZLPQSA-N 1 0 387.483 3.905 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000183692667 867279765 /nfs/dbraw/zinc/27/97/65/867279765.db2.gz SWJINJMDKMTTJY-LJQANCHMSA-N 1 0 376.909 3.972 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)nc1 ZINC000428770108 867309218 /nfs/dbraw/zinc/30/92/18/867309218.db2.gz DWICFYOLCWNGCG-KRWDZBQOSA-N 1 0 377.366 3.548 20 30 GHEDRO CCO[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C1=CCCC1 ZINC000479236638 867382814 /nfs/dbraw/zinc/38/28/14/867382814.db2.gz BIYVEFZSENKFMU-OAQYLSRUSA-N 1 0 381.520 3.566 20 30 GHEDRO N#CC1(NC(=O)c2ccc(Br)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479279348 867469545 /nfs/dbraw/zinc/46/95/45/867469545.db2.gz NCHOTXOQPAVPER-UHFFFAOYSA-N 1 0 398.304 3.737 20 30 GHEDRO CCC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479272150 867497526 /nfs/dbraw/zinc/49/75/26/867497526.db2.gz GOXXVLNCNBMBRQ-UHFFFAOYSA-N 1 0 375.472 3.567 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)nc1 ZINC000428771746 867507839 /nfs/dbraw/zinc/50/78/39/867507839.db2.gz IZGPDPCLSIFQRE-FQEVSTJZSA-N 1 0 395.466 3.921 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(CCC)cc1 ZINC000766289892 867597059 /nfs/dbraw/zinc/59/70/59/867597059.db2.gz NISBSSLGVFRFHK-UHFFFAOYSA-O 1 0 397.520 3.700 20 30 GHEDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccc(F)cc1 ZINC000152060560 867601348 /nfs/dbraw/zinc/60/13/48/867601348.db2.gz UUWRKRHSIWTSNU-UHFFFAOYSA-N 1 0 396.466 3.765 20 30 GHEDRO CN(C(=O)C1(c2cc(F)cc(C#N)c2)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070846 867611673 /nfs/dbraw/zinc/61/16/73/867611673.db2.gz PHONRFKSCWZKNS-UHFFFAOYSA-N 1 0 397.416 3.604 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000457114154 867670075 /nfs/dbraw/zinc/67/00/75/867670075.db2.gz KGUKOKNWEVVWPX-FQEVSTJZSA-N 1 0 393.535 3.635 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000155228643 867815297 /nfs/dbraw/zinc/81/52/97/867815297.db2.gz VFCDJJGCXJJFSY-MJGOQNOKSA-N 1 0 395.478 3.959 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021404721 867822960 /nfs/dbraw/zinc/82/29/60/867822960.db2.gz INQUXJKXDAYCQU-KRWDZBQOSA-N 1 0 396.922 3.747 20 30 GHEDRO Cc1ccc2c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000021404847 867827806 /nfs/dbraw/zinc/82/78/06/867827806.db2.gz URWREMQFJWFACP-UHFFFAOYSA-N 1 0 387.483 3.681 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000743146558 867897125 /nfs/dbraw/zinc/89/71/25/867897125.db2.gz HPRGZWNFHXLWIJ-HXUWFJFHSA-N 1 0 377.488 3.684 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000553682523 867928546 /nfs/dbraw/zinc/92/85/46/867928546.db2.gz IYEITRJJZAPMQV-SIKLNZKXSA-N 1 0 393.531 3.961 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000523768944 867935877 /nfs/dbraw/zinc/93/58/77/867935877.db2.gz BVRXEAVSIZUMGR-WIYYLYMNSA-N 1 0 391.531 3.660 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)c1ccccc1C ZINC000743256300 868023094 /nfs/dbraw/zinc/02/30/94/868023094.db2.gz PKUOYBYZZYBPLC-IBGZPJMESA-N 1 0 386.565 3.627 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609071640 868174004 /nfs/dbraw/zinc/17/40/04/868174004.db2.gz NLRMSHYIVBHRNU-FGTMMUONSA-N 1 0 395.503 3.826 20 30 GHEDRO CCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccc(C#N)cc1 ZINC000152099019 868270587 /nfs/dbraw/zinc/27/05/87/868270587.db2.gz JYCXVDMEVSZMOZ-UHFFFAOYSA-N 1 0 376.504 3.755 20 30 GHEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659301893 868312158 /nfs/dbraw/zinc/31/21/58/868312158.db2.gz KWVJPWJEGZCKQZ-VHSXEESVSA-N 1 0 386.311 3.785 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000553867019 868377924 /nfs/dbraw/zinc/37/79/24/868377924.db2.gz TVZMINSNASFMDU-QFIPXVFZSA-N 1 0 393.531 3.615 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c(Cl)c1 ZINC000553887562 868426251 /nfs/dbraw/zinc/42/62/51/868426251.db2.gz UDHLHSYMPXVDRL-UHFFFAOYSA-N 1 0 395.956 3.631 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1)CC1CC1 ZINC000508529702 868444183 /nfs/dbraw/zinc/44/41/83/868444183.db2.gz ZBNBUVUTXTXILR-UHFFFAOYSA-N 1 0 392.551 3.692 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000157123269 868565988 /nfs/dbraw/zinc/56/59/88/868565988.db2.gz CRJZSZIYLSVMLH-UHFFFAOYSA-N 1 0 390.487 3.967 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000524128580 868578519 /nfs/dbraw/zinc/57/85/19/868578519.db2.gz BIPNPEZUWAJRQH-IAGOWNOFSA-N 1 0 381.476 3.580 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2CC[NH+](CCC)CC2)cc1 ZINC000157808544 868768078 /nfs/dbraw/zinc/76/80/78/868768078.db2.gz XYJQVQDSQOCQJL-UHFFFAOYSA-N 1 0 398.551 3.744 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2nc(Cl)c(C#N)s2)cc1 ZINC001272289136 868799317 /nfs/dbraw/zinc/79/93/17/868799317.db2.gz ALUXOKVESKSUND-UHFFFAOYSA-N 1 0 378.885 3.641 20 30 GHEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744423320 868825436 /nfs/dbraw/zinc/82/54/36/868825436.db2.gz DGYZLWCFHGTKDU-OAQYLSRUSA-N 1 0 392.478 3.758 20 30 GHEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000744424395 868827432 /nfs/dbraw/zinc/82/74/32/868827432.db2.gz WFNRYSLGGJERJK-BBWFWOEESA-N 1 0 380.517 3.830 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000669817810 868943660 /nfs/dbraw/zinc/94/36/60/868943660.db2.gz PVHKENKALHVXJR-NRFANRHFSA-N 1 0 379.552 3.562 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508847944 868970805 /nfs/dbraw/zinc/97/08/05/868970805.db2.gz MDWIUKPAXASQCO-UHFFFAOYSA-N 1 0 390.535 3.601 20 30 GHEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000133494713 882251325 /nfs/dbraw/zinc/25/13/25/882251325.db2.gz BKGWHLYPRWWBML-UHFFFAOYSA-N 1 0 398.551 3.789 20 30 GHEDRO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C1CCCCC1 ZINC000744739247 869059847 /nfs/dbraw/zinc/05/98/47/869059847.db2.gz PEEMPFVKFKSQNN-OAQYLSRUSA-N 1 0 384.520 3.635 20 30 GHEDRO COC(C)(CNc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1)OC ZINC001170434471 882257216 /nfs/dbraw/zinc/25/72/16/882257216.db2.gz YQJVRJOATWYQAA-UHFFFAOYSA-N 1 0 394.519 3.560 20 30 GHEDRO C=CCNC(=O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(CC)cc1 ZINC000539617908 869459704 /nfs/dbraw/zinc/45/97/04/869459704.db2.gz CXDLQPGLJGLKJU-UHFFFAOYSA-N 1 0 388.515 3.553 20 30 GHEDRO CC[C@@H](C)[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000446274299 869624804 /nfs/dbraw/zinc/62/48/04/869624804.db2.gz FZKVLZBWQYQVMQ-CRAIPNDOSA-N 1 0 396.457 3.753 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000524934120 869776758 /nfs/dbraw/zinc/77/67/58/869776758.db2.gz KXCKUPPVUJBAFC-RTBURBONSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OCC ZINC000462767268 870033080 /nfs/dbraw/zinc/03/30/80/870033080.db2.gz KORCGMANUOAVJH-DZGCQCFKSA-N 1 0 384.314 3.927 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000092534542 882384499 /nfs/dbraw/zinc/38/44/99/882384499.db2.gz GCJQLAWKHQXSLM-HXUWFJFHSA-N 1 0 391.515 3.645 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001192273102 870255165 /nfs/dbraw/zinc/25/51/65/870255165.db2.gz RNVNNMYKGGHUJI-IJZHQTRZSA-N 1 0 389.499 3.835 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC001192334874 870297017 /nfs/dbraw/zinc/29/70/17/870297017.db2.gz KQLDPYOKVDJRKA-NTKDMRAZSA-N 1 0 375.516 3.827 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000092645214 882410274 /nfs/dbraw/zinc/41/02/74/882410274.db2.gz VVAMJWSFTDFVQM-LJQANCHMSA-N 1 0 378.520 3.511 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000462943647 870477302 /nfs/dbraw/zinc/47/73/02/870477302.db2.gz DRLGBGWGJNOTCZ-LZWOXQAQSA-N 1 0 381.314 3.943 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000793791078 882413608 /nfs/dbraw/zinc/41/36/08/882413608.db2.gz LULLBNDMCREKFB-IBGZPJMESA-N 1 0 379.589 3.576 20 30 GHEDRO COC(=O)c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1OC ZINC000540142940 870591903 /nfs/dbraw/zinc/59/19/03/870591903.db2.gz ATCIPMPONVREEC-UHFFFAOYSA-N 1 0 378.472 3.976 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508866037 870634289 /nfs/dbraw/zinc/63/42/89/870634289.db2.gz QLLXVGIQHGQICQ-PGRDOPGGSA-N 1 0 376.504 3.947 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c(C(F)(F)F)c1 ZINC000463040327 870721684 /nfs/dbraw/zinc/72/16/84/870721684.db2.gz VPSUZYMKHICKIT-AWEZNQCLSA-N 1 0 377.341 3.611 20 30 GHEDRO C[NH+](C)Cc1ccsc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000446934290 870732021 /nfs/dbraw/zinc/73/20/21/870732021.db2.gz UFEIWUORRSLXSB-UHFFFAOYSA-N 1 0 383.517 3.801 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1C ZINC000775553566 870774955 /nfs/dbraw/zinc/77/49/55/870774955.db2.gz PNYFKQBLVBSEQA-UHFFFAOYSA-N 1 0 391.471 3.558 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001192927259 870792665 /nfs/dbraw/zinc/79/26/65/870792665.db2.gz IIRGMJMJAKBJSK-CEWLAPEOSA-N 1 0 389.588 3.632 20 30 GHEDRO [NH3+][C@H]1CCc2nn(-c3cnc(N=C(c4ccccc4)c4ccccc4)nc3)cc2C1 ZINC001168817693 870836050 /nfs/dbraw/zinc/83/60/50/870836050.db2.gz MZOPFBBJUGONHE-FQEVSTJZSA-N 1 0 394.482 3.647 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)ccc1OC ZINC000142868840 870844023 /nfs/dbraw/zinc/84/40/23/870844023.db2.gz XSIAHDJCTATPTK-UHFFFAOYSA-N 1 0 378.476 3.580 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508869114 870882293 /nfs/dbraw/zinc/88/22/93/870882293.db2.gz GZKSPLVJTJADNP-UTKZUKDTSA-N 1 0 396.491 3.984 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168871808 870913574 /nfs/dbraw/zinc/91/35/74/870913574.db2.gz KMRAELCAXDYRKJ-FUHWJXTLSA-N 1 0 385.508 3.799 20 30 GHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCOCC(F)(F)C(F)F ZINC001193336597 871029082 /nfs/dbraw/zinc/02/90/82/871029082.db2.gz WGSLLBYJYWRATG-UHFFFAOYSA-N 1 0 392.315 3.764 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033682 871109656 /nfs/dbraw/zinc/10/96/56/871109656.db2.gz DITHYOYWTKSMGD-WMLDXEAASA-N 1 0 392.297 3.752 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000540392897 871159477 /nfs/dbraw/zinc/15/94/77/871159477.db2.gz CWJUMUCYLJXXHM-RYUDHWBXSA-N 1 0 378.822 3.850 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](CCC)CC1 ZINC000508871832 871159501 /nfs/dbraw/zinc/15/95/01/871159501.db2.gz GOXWMBJSLTVDEN-IBGZPJMESA-N 1 0 383.540 3.753 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000540395305 871164937 /nfs/dbraw/zinc/16/49/37/871164937.db2.gz QENIRCYRZOBEPR-QPPBQGQZSA-N 1 0 391.515 3.918 20 30 GHEDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181569210 871183187 /nfs/dbraw/zinc/18/31/87/871183187.db2.gz YXXOVALKFLAHPW-INIZCTEOSA-N 1 0 385.458 3.858 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000540404374 871189504 /nfs/dbraw/zinc/18/95/04/871189504.db2.gz MJFUQCBHIUVKKZ-SFHVURJKSA-N 1 0 396.535 3.919 20 30 GHEDRO C[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cccc(C#N)c1 ZINC000461902992 871201401 /nfs/dbraw/zinc/20/14/01/871201401.db2.gz RYERDTFOLYZFBX-UWJYYQICSA-N 1 0 389.499 3.766 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cccc(C#N)c2)C1 ZINC000618085186 871257060 /nfs/dbraw/zinc/25/70/60/871257060.db2.gz JGNQOHKPDIOBQW-UHFFFAOYSA-N 1 0 386.499 3.942 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1OC ZINC000525708268 871267663 /nfs/dbraw/zinc/26/76/63/871267663.db2.gz BTJWYQZYUCYPJU-HKBOAZHASA-N 1 0 392.499 3.507 20 30 GHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccsc2)cc1 ZINC000618285214 871467047 /nfs/dbraw/zinc/46/70/47/871467047.db2.gz UCRFCMCKTPKXTM-MRXNPFEDSA-N 1 0 375.501 3.787 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000539268143 871591538 /nfs/dbraw/zinc/59/15/38/871591538.db2.gz PJOPAGJIIVXNPK-ZIAGYGMSSA-N 1 0 385.464 3.853 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000540593357 871650687 /nfs/dbraw/zinc/65/06/87/871650687.db2.gz GSYSKOCXDVQIMD-WMLDXEAASA-N 1 0 378.394 3.959 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000539297902 871663430 /nfs/dbraw/zinc/66/34/30/871663430.db2.gz POGWVCWYNZFJAM-QZTJIDSGSA-N 1 0 394.581 3.523 20 30 GHEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000463403319 871685626 /nfs/dbraw/zinc/68/56/26/871685626.db2.gz GMCBDDLDZDNZQO-ZYSHUDEJSA-N 1 0 375.488 3.643 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCc1cccc(Br)c1 ZINC000463426576 871709711 /nfs/dbraw/zinc/70/97/11/871709711.db2.gz OSYZDBQVNHJCNB-AWEZNQCLSA-N 1 0 386.293 3.822 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)s1 ZINC000540614101 871722329 /nfs/dbraw/zinc/72/23/29/871722329.db2.gz CYGLWYIZXXYJSZ-OAQYLSRUSA-N 1 0 375.497 3.637 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000182034712 871750895 /nfs/dbraw/zinc/75/08/95/871750895.db2.gz SWOGOXLQBGDXAQ-IBGZPJMESA-N 1 0 392.503 3.518 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(CN2CCS/C2=N\C#N)cn1 ZINC001169683594 871751821 /nfs/dbraw/zinc/75/18/21/871751821.db2.gz AWDFIYPTIGNJRM-IIPXAIGGSA-N 1 0 392.532 3.708 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000182028023 871756238 /nfs/dbraw/zinc/75/62/38/871756238.db2.gz MQVPUXVRHATMJP-WMLDXEAASA-N 1 0 378.394 3.959 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cccc(NC(=O)c4ccccc4)c3)n2c1 ZINC000540622788 871804953 /nfs/dbraw/zinc/80/49/53/871804953.db2.gz WPLYCSSMDYUVCA-UHFFFAOYSA-N 1 0 381.439 3.748 20 30 GHEDRO COc1ccccc1OC[C@@H](C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182091605 871819924 /nfs/dbraw/zinc/81/99/24/871819924.db2.gz OZKVEORPYLZQSF-IBGZPJMESA-N 1 0 393.531 3.836 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169783959 871877398 /nfs/dbraw/zinc/87/73/98/871877398.db2.gz LNLUBBZFMHVOIE-OAQYLSRUSA-N 1 0 389.499 3.706 20 30 GHEDRO N#Cc1cncc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1 ZINC001194676493 871884430 /nfs/dbraw/zinc/88/44/30/871884430.db2.gz XQDLLVOSEKYXOH-REWPJTCUSA-N 1 0 389.430 3.633 20 30 GHEDRO CCCCCCCCOC(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001194740298 871902439 /nfs/dbraw/zinc/90/24/39/871902439.db2.gz GUJHOYSNESLSDQ-UHFFFAOYSA-N 1 0 381.561 3.502 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001194723737 871919466 /nfs/dbraw/zinc/91/94/66/871919466.db2.gz MDTZNEUROMOJMV-PCCBWWKXSA-N 1 0 399.535 3.703 20 30 GHEDRO CCCCCCCCCOC(=O)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001194910955 872026708 /nfs/dbraw/zinc/02/67/08/872026708.db2.gz AGPLSEFRONXPIX-OALUTQOASA-N 1 0 390.528 3.501 20 30 GHEDRO C[NH+](C)CC1(C(=O)N[C@H](C#N)c2ccccc2Br)CCCCC1 ZINC000618833689 872036147 /nfs/dbraw/zinc/03/61/47/872036147.db2.gz KJOPCMODVITUJE-MRXNPFEDSA-N 1 0 378.314 3.642 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618841880 872053649 /nfs/dbraw/zinc/05/36/49/872053649.db2.gz COHGNIGNGXMFKO-QHCPKHFHSA-N 1 0 388.515 3.852 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000775625719 872057934 /nfs/dbraw/zinc/05/79/34/872057934.db2.gz GKUFFZQKILWIAE-ZWKOTPCHSA-N 1 0 390.524 3.968 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1OC ZINC000093482730 872229945 /nfs/dbraw/zinc/22/99/45/872229945.db2.gz ISUVIJIRJBGHOF-HIFRSBDPSA-N 1 0 384.314 3.758 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000619068818 872278346 /nfs/dbraw/zinc/27/83/46/872278346.db2.gz OKDVPNGUIVWELW-JOCHJYFZSA-N 1 0 387.487 3.822 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@@H]2C1 ZINC000540913530 872489500 /nfs/dbraw/zinc/48/95/00/872489500.db2.gz URLKMIOLQSUZIS-PGRDOPGGSA-N 1 0 375.472 3.711 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)cc1 ZINC001195728481 872580121 /nfs/dbraw/zinc/58/01/21/872580121.db2.gz GRBAPXYWYOSOGD-PCCBWWKXSA-N 1 0 389.543 3.980 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)OC4(CCC4)C3)sc2C1 ZINC001195758592 872616403 /nfs/dbraw/zinc/61/64/03/872616403.db2.gz UDYMGZURUYSYSU-GJZGRUSLSA-N 1 0 387.549 3.717 20 30 GHEDRO Cc1nc(C(F)(F)F)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000463814117 872639330 /nfs/dbraw/zinc/63/93/30/872639330.db2.gz KFWNSQKCNCJDRV-UHFFFAOYSA-N 1 0 396.438 3.546 20 30 GHEDRO C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCCc4cc(C#N)ccc43)nc2)C1 ZINC000619508607 872695984 /nfs/dbraw/zinc/69/59/84/872695984.db2.gz OKYHOKZECDMEMQ-IFMALSPDSA-N 1 0 375.520 3.973 20 30 GHEDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000478246554 872726568 /nfs/dbraw/zinc/72/65/68/872726568.db2.gz BIULBYNSPGGCER-RXAIFQJESA-N 1 0 378.501 3.547 20 30 GHEDRO C[C@H](C#N)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541018746 872766566 /nfs/dbraw/zinc/76/65/66/872766566.db2.gz GVDSNIQZCPKLMF-UKPHBRMFSA-N 1 0 382.430 3.547 20 30 GHEDRO CC[NH+](CC)CCCC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000182779839 872768033 /nfs/dbraw/zinc/76/80/33/872768033.db2.gz NPJCWOPNURBBRK-LJQANCHMSA-N 1 0 388.581 3.559 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC001196058031 872832416 /nfs/dbraw/zinc/83/24/16/872832416.db2.gz VWCXSMOTTKVRSL-DZGCQCFKSA-N 1 0 398.288 3.954 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC001196058033 872832595 /nfs/dbraw/zinc/83/25/95/872832595.db2.gz VWCXSMOTTKVRSL-UKRRQHHQSA-N 1 0 398.288 3.954 20 30 GHEDRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541075840 872859620 /nfs/dbraw/zinc/85/96/20/872859620.db2.gz RCVXHJUYLWJTEK-DLBZAZTESA-N 1 0 392.503 3.746 20 30 GHEDRO Cn1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC000478354352 872883989 /nfs/dbraw/zinc/88/39/89/872883989.db2.gz SZLKNCGGTYTIBN-UHFFFAOYSA-N 1 0 395.850 3.853 20 30 GHEDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cnn1-c1ccc(F)cc1 ZINC000182867810 872901888 /nfs/dbraw/zinc/90/18/88/872901888.db2.gz DRZQMZWFQYDATE-CYBMUJFWSA-N 1 0 397.479 3.932 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000619755596 872965030 /nfs/dbraw/zinc/96/50/30/872965030.db2.gz MVNSIUKZUPNKTM-HXUWFJFHSA-N 1 0 382.895 3.848 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756552 872966433 /nfs/dbraw/zinc/96/64/33/872966433.db2.gz FGUJSUHYOJGGKD-IYBDPMFKSA-N 1 0 376.932 3.769 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000552683293 872992212 /nfs/dbraw/zinc/99/22/12/872992212.db2.gz PPUPWGNQEYGQNY-XMSQKQJNSA-N 1 0 389.499 3.836 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001196304837 872997184 /nfs/dbraw/zinc/99/71/84/872997184.db2.gz DKRALAYEQQSESV-UHFFFAOYSA-N 1 0 391.544 3.638 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000619768010 873005304 /nfs/dbraw/zinc/00/53/04/873005304.db2.gz JIDSGGYAGGUZLZ-SFHVURJKSA-N 1 0 391.302 3.967 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000619770018 873008607 /nfs/dbraw/zinc/00/86/07/873008607.db2.gz VKXPXSLRDZQZHG-UHFFFAOYSA-N 1 0 382.895 3.629 20 30 GHEDRO COc1ccc(CC[NH+]2CCC(NC(=S)Nc3ccccc3C#N)CC2)cc1 ZINC001196342992 873043679 /nfs/dbraw/zinc/04/36/79/873043679.db2.gz AGZAYXLUCBJXPD-UHFFFAOYSA-N 1 0 394.544 3.560 20 30 GHEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000183024040 873127897 /nfs/dbraw/zinc/12/78/97/873127897.db2.gz ZCIVCUGHGUOOKX-LJQANCHMSA-N 1 0 387.405 3.858 20 30 GHEDRO COc1cccc(/C=N\Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1O ZINC000768267828 873198979 /nfs/dbraw/zinc/19/89/79/873198979.db2.gz DSHDFNJSTOJTGM-JLPGSUDCSA-N 1 0 379.504 3.552 20 30 GHEDRO N#Cc1cccnc1C(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001196553520 873207918 /nfs/dbraw/zinc/20/79/18/873207918.db2.gz QJNKRDDCVJIFLV-QHCPKHFHSA-N 1 0 396.494 3.870 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)cc1 ZINC000121456132 873278723 /nfs/dbraw/zinc/27/87/23/873278723.db2.gz CAEDPMOULJSDRE-QGZVFWFLSA-N 1 0 389.503 3.902 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)cc1F ZINC001196693392 873305930 /nfs/dbraw/zinc/30/59/30/873305930.db2.gz MPTGQVGJULFWLK-UHFFFAOYSA-N 1 0 390.256 3.920 20 30 GHEDRO Cc1ccc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C ZINC000595651796 873389322 /nfs/dbraw/zinc/38/93/22/873389322.db2.gz DIVQHWZWYISHKE-UHFFFAOYSA-N 1 0 390.531 3.681 20 30 GHEDRO C=CCc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1O ZINC000122812665 882717244 /nfs/dbraw/zinc/71/72/44/882717244.db2.gz GNNSZPYYFNHGEQ-UHFFFAOYSA-N 1 0 391.515 3.709 20 30 GHEDRO OC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001196927131 873457119 /nfs/dbraw/zinc/45/71/19/873457119.db2.gz LWJIOMCXXBRPEQ-LLVKDONJSA-N 1 0 381.263 3.543 20 30 GHEDRO COCc1ccc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1C#N ZINC000527764726 873539137 /nfs/dbraw/zinc/53/91/37/873539137.db2.gz QZNOGHTZKXVUFG-UHFFFAOYSA-N 1 0 384.911 3.722 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN(C)C2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000470369915 873544003 /nfs/dbraw/zinc/54/40/03/873544003.db2.gz RSVRZVDVMUUTCM-UHFFFAOYSA-N 1 0 390.959 3.700 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001197186020 873619033 /nfs/dbraw/zinc/61/90/33/873619033.db2.gz WXEKNWHDOXHZBN-DHIUTWEWSA-N 1 0 391.515 3.759 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000769020947 873745225 /nfs/dbraw/zinc/74/52/25/873745225.db2.gz JWMWKJHZBPMWDB-UHFFFAOYSA-N 1 0 385.511 3.651 20 30 GHEDRO C=CCOc1ccc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000448792796 873938657 /nfs/dbraw/zinc/93/86/57/873938657.db2.gz JSOCAWQSMGDWNQ-UHFFFAOYSA-N 1 0 378.516 3.822 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000448802689 874010354 /nfs/dbraw/zinc/01/03/54/874010354.db2.gz YQHCFFJFYUMDCT-UHFFFAOYSA-N 1 0 386.883 3.835 20 30 GHEDRO C=C(C)C[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000464534958 874055034 /nfs/dbraw/zinc/05/50/34/874055034.db2.gz NERKPUVEYOVOJQ-CQSZACIVSA-N 1 0 380.330 3.742 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CC2)c1C#N ZINC000609133529 874087628 /nfs/dbraw/zinc/08/76/28/874087628.db2.gz FNAUIKAPCKWHJF-NRFANRHFSA-N 1 0 376.504 3.838 20 30 GHEDRO N#Cc1ccc(OCC[N@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000464575054 874103937 /nfs/dbraw/zinc/10/39/37/874103937.db2.gz XNDSQJHVAJKNRE-UHFFFAOYSA-N 1 0 380.488 3.887 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC001198032916 874190031 /nfs/dbraw/zinc/19/00/31/874190031.db2.gz CEUIJAOKXCONDI-SFHVURJKSA-N 1 0 379.464 3.692 20 30 GHEDRO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001198140427 874229511 /nfs/dbraw/zinc/22/95/11/874229511.db2.gz HQGJHBQORTXYJT-GOSISDBHSA-N 1 0 399.535 3.591 20 30 GHEDRO CN(CCC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000769942315 874378917 /nfs/dbraw/zinc/37/89/17/874378917.db2.gz YVSLJENKDMRYKE-FQEVSTJZSA-N 1 0 387.524 3.561 20 30 GHEDRO CSCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC001198467144 874420179 /nfs/dbraw/zinc/42/01/79/874420179.db2.gz ICLOYXLFKMUDMN-UHFFFAOYSA-N 1 0 388.512 3.775 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000528406583 874530162 /nfs/dbraw/zinc/53/01/62/874530162.db2.gz OUXRLJYGXMZFEI-MSOLQXFVSA-N 1 0 397.544 3.513 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775882996 874536416 /nfs/dbraw/zinc/53/64/16/874536416.db2.gz OMRLMACMLRXYFB-KRWDZBQOSA-N 1 0 376.504 3.831 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCCN(Cc3csc([C@H](C)OC)n3)CC2)cc1 ZINC000770288146 874571474 /nfs/dbraw/zinc/57/14/74/874571474.db2.gz GFRYCOZNPCSGPD-SFHVURJKSA-N 1 0 399.560 3.570 20 30 GHEDRO CN(Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843609 874618739 /nfs/dbraw/zinc/61/87/39/874618739.db2.gz WWSBXTUMVQIASG-HXUWFJFHSA-N 1 0 387.487 3.562 20 30 GHEDRO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000528594231 874787321 /nfs/dbraw/zinc/78/73/21/874787321.db2.gz LHVMYIVQMWMUIU-UHFFFAOYSA-N 1 0 397.910 3.686 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000542050641 874855454 /nfs/dbraw/zinc/85/54/54/874855454.db2.gz HQPJDYRESZRXRO-UHFFFAOYSA-N 1 0 397.972 3.734 20 30 GHEDRO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062404 874874556 /nfs/dbraw/zinc/87/45/56/874874556.db2.gz VYNNGPGBHBEIEY-IIBYNOLFSA-N 1 0 379.529 3.840 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000770807818 874877629 /nfs/dbraw/zinc/87/76/29/874877629.db2.gz OQFIPAARBIRLDS-OAHLLOKOSA-N 1 0 394.500 3.644 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001199260663 874879496 /nfs/dbraw/zinc/87/94/96/874879496.db2.gz MSGFHEAIUICUNX-OAQYLSRUSA-N 1 0 392.503 3.941 20 30 GHEDRO C[C@@H](NC(=O)NCC1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542084147 874898347 /nfs/dbraw/zinc/89/83/47/874898347.db2.gz DJALIHJUACEINZ-QGZVFWFLSA-N 1 0 376.504 3.927 20 30 GHEDRO C#CCSCC[NH2+]Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000858143345 882879071 /nfs/dbraw/zinc/87/90/71/882879071.db2.gz VYWWBKXZWPSFOK-LBPRGKRZSA-N 1 0 390.318 3.726 20 30 GHEDRO C=CCC[C@H](CC)[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449516661 874985833 /nfs/dbraw/zinc/98/58/33/874985833.db2.gz HBPLDCVTSVUTLI-MJGOQNOKSA-N 1 0 378.582 3.950 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1OCCCC#N ZINC000449533295 875016395 /nfs/dbraw/zinc/01/63/95/875016395.db2.gz FHENCVMKPGMMRV-PZJWPPBQSA-N 1 0 381.476 3.783 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170023861 875125177 /nfs/dbraw/zinc/12/51/77/875125177.db2.gz OZSWZPXGHVTREI-UHFFFAOYSA-N 1 0 387.205 3.745 20 30 GHEDRO CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000542200086 875132338 /nfs/dbraw/zinc/13/23/38/875132338.db2.gz FADHOMAXIDKUBX-UHFFFAOYSA-N 1 0 394.519 3.740 20 30 GHEDRO Cc1ccc2c(CCC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c[nH]c2c1 ZINC000465118839 875152414 /nfs/dbraw/zinc/15/24/14/875152414.db2.gz GKSUIHOTABJOCW-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO CCS(=O)(=O)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000449778338 875381359 /nfs/dbraw/zinc/38/13/59/875381359.db2.gz RXHMOWGSQMHOFH-UHFFFAOYSA-N 1 0 397.544 3.569 20 30 GHEDRO Cc1cc(NC(=S)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC001201041251 875487155 /nfs/dbraw/zinc/48/71/55/875487155.db2.gz HURANKVWKJESJR-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776154054 875629868 /nfs/dbraw/zinc/62/98/68/875629868.db2.gz MQLBAMSWVPENGX-XXBNENTESA-N 1 0 379.504 3.622 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2cc3ccc(SC)cc3nc2Cl)CC1 ZINC000772124298 875712016 /nfs/dbraw/zinc/71/20/16/875712016.db2.gz WFLZQRRJACCVBM-UHFFFAOYSA-N 1 0 388.920 3.999 20 30 GHEDRO CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000151667866 875744796 /nfs/dbraw/zinc/74/47/96/875744796.db2.gz VEDMZWXRILSUNT-FXAWDEMLSA-N 1 0 394.519 3.864 20 30 GHEDRO CCCCCCCCCCCC[N@@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001201631413 875774585 /nfs/dbraw/zinc/77/45/85/875774585.db2.gz SCSDWNROVGQUEY-JOCHJYFZSA-N 1 0 382.589 3.857 20 30 GHEDRO CCCCCCCCCCCC[N@@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001201630742 875774701 /nfs/dbraw/zinc/77/47/01/875774701.db2.gz DUUDOZIMBDQGPY-QFIPXVFZSA-N 1 0 382.589 3.857 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001272468950 875810558 /nfs/dbraw/zinc/81/05/58/875810558.db2.gz FDHMVDUPIZRBDT-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO COCc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529212438 875837972 /nfs/dbraw/zinc/83/79/72/875837972.db2.gz JONMUECQSIZBJB-LJQANCHMSA-N 1 0 392.503 3.690 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1C#N ZINC000529213532 875840608 /nfs/dbraw/zinc/84/06/08/875840608.db2.gz ODAWOSLHFHTDKA-SFHVURJKSA-N 1 0 384.524 3.825 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1C#N ZINC000529217859 875847732 /nfs/dbraw/zinc/84/77/32/875847732.db2.gz PUAHZMDTPXQDRE-OAQYLSRUSA-N 1 0 378.476 3.663 20 30 GHEDRO CCCCCCCCC[NH+]1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C ZINC001201840144 875899680 /nfs/dbraw/zinc/89/96/80/875899680.db2.gz VJUDWDIXIQRULS-LJQANCHMSA-N 1 0 390.572 3.757 20 30 GHEDRO CCCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001201840129 875899820 /nfs/dbraw/zinc/89/98/20/875899820.db2.gz VHLRIBBNEMINKI-NRSPTQNISA-N 1 0 376.541 3.841 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000777011144 882983454 /nfs/dbraw/zinc/98/34/54/882983454.db2.gz BXCVMSZFTPLXAO-KRWDZBQOSA-N 1 0 381.289 3.501 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cnc3ccc(Cl)cn23)c(-c2ccc(C#N)cc2)n1 ZINC001201955039 875953484 /nfs/dbraw/zinc/95/34/84/875953484.db2.gz YJFJTIKFYJFAHF-UHFFFAOYSA-N 1 0 376.851 3.550 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000106349532 875972855 /nfs/dbraw/zinc/97/28/55/875972855.db2.gz VHPCCFMZSGWTOD-UHFFFAOYSA-N 1 0 391.471 3.681 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000151895597 876062694 /nfs/dbraw/zinc/06/26/94/876062694.db2.gz MEKWCONZFKZBOY-SJLPKXTDSA-N 1 0 387.867 3.721 20 30 GHEDRO C=C[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000494721803 882992393 /nfs/dbraw/zinc/99/23/93/882992393.db2.gz WLUSIAAYTMSFRS-OAQYLSRUSA-N 1 0 384.568 3.647 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000450232187 876127192 /nfs/dbraw/zinc/12/71/92/876127192.db2.gz KIHPKWKWSUMGPO-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)CC1 ZINC000785641591 876140621 /nfs/dbraw/zinc/14/06/21/876140621.db2.gz LUEMEICDVIDQAM-QFIPXVFZSA-N 1 0 389.503 3.509 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271949451 876154389 /nfs/dbraw/zinc/15/43/89/876154389.db2.gz OJOUEAKPCAYDMU-OAHLLOKOSA-N 1 0 389.496 3.579 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)c1 ZINC001202415035 876186046 /nfs/dbraw/zinc/18/60/46/876186046.db2.gz HDURRZNUANNSTC-LJQANCHMSA-N 1 0 381.442 3.820 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](O)c2cc(Cl)ccc2OC)cc1OC ZINC001202397695 876199408 /nfs/dbraw/zinc/19/94/08/876199408.db2.gz LAOFNIQJFXTBHT-QGZVFWFLSA-N 1 0 377.868 3.745 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCCCC2)nc1-c1cccnc1 ZINC000151966178 876316480 /nfs/dbraw/zinc/31/64/80/876316480.db2.gz UORZZJWQAIEVGM-IBGZPJMESA-N 1 0 398.580 3.570 20 30 GHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786104333 876447808 /nfs/dbraw/zinc/44/78/08/876447808.db2.gz HBPNTRYSOKUORR-UHFFFAOYSA-N 1 0 393.487 3.705 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000776428969 876468091 /nfs/dbraw/zinc/46/80/91/876468091.db2.gz BFCCYXODALXHCP-DHZHZOJOSA-N 1 0 380.492 3.707 20 30 GHEDRO C=CCCn1cc(CNc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)nn1 ZINC000850073232 876639340 /nfs/dbraw/zinc/63/93/40/876639340.db2.gz FCLUNXDOVHHQEH-UHFFFAOYSA-N 1 0 388.947 3.652 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1cccc(OCCCC#N)c1)C2 ZINC000850404033 876884179 /nfs/dbraw/zinc/88/41/79/876884179.db2.gz SVDJJVZDVZSDPY-UHFFFAOYSA-N 1 0 385.508 3.858 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccc(C#N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000450783599 876885423 /nfs/dbraw/zinc/88/54/23/876885423.db2.gz CZBOIMOVNBQFCS-UHFFFAOYSA-N 1 0 393.447 3.501 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(Cl)c1 ZINC000450866751 876994260 /nfs/dbraw/zinc/99/42/60/876994260.db2.gz UBVITUZSNIWQIL-DFQSSKMNSA-N 1 0 387.911 3.524 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450869652 877002592 /nfs/dbraw/zinc/00/25/92/877002592.db2.gz YCBMABKRXLJVLT-IMAQQZIHSA-N 1 0 399.560 3.814 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787029466 877105370 /nfs/dbraw/zinc/10/53/70/877105370.db2.gz XKYRHZMQPUHOTC-SGTLLEGYSA-N 1 0 376.428 3.893 20 30 GHEDRO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174676986 877164975 /nfs/dbraw/zinc/16/49/75/877164975.db2.gz BDDZTQSXBHOARY-LJQANCHMSA-N 1 0 394.544 3.842 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3cccc(OC)c3)cc2)CC1 ZINC000174776797 877241289 /nfs/dbraw/zinc/24/12/89/877241289.db2.gz WZCUHPFEHORHCI-UHFFFAOYSA-N 1 0 379.504 3.812 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000451064112 877302740 /nfs/dbraw/zinc/30/27/40/877302740.db2.gz NYGDMUOMSPWSII-HDICACEKSA-N 1 0 391.581 3.524 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000530233759 877337198 /nfs/dbraw/zinc/33/71/98/877337198.db2.gz HICQZKUJAADITR-BHIYHBOVSA-N 1 0 390.405 3.853 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C2(c3nccs3)CCCC2)c(OC)c1 ZINC000175008799 877398928 /nfs/dbraw/zinc/39/89/28/877398928.db2.gz GVGWBYUHFHROQF-QGZVFWFLSA-N 1 0 388.533 3.679 20 30 GHEDRO C=CC[N@@H+](CCCOc1cccc(C#N)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000477311067 877408028 /nfs/dbraw/zinc/40/80/28/877408028.db2.gz URRRNVRNYSDXKG-SFHVURJKSA-N 1 0 388.475 3.552 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460542095 877436538 /nfs/dbraw/zinc/43/65/38/877436538.db2.gz CFLAKLMRHXCWJT-OAQYLSRUSA-N 1 0 395.551 3.841 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999501 877496526 /nfs/dbraw/zinc/49/65/26/877496526.db2.gz QDTUBZBAHUYNOI-HNNXBMFYSA-N 1 0 395.341 3.787 20 30 GHEDRO C[C@@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336588 877572306 /nfs/dbraw/zinc/57/23/06/877572306.db2.gz WYWNBYRCLPIKFR-BZNIZROVSA-N 1 0 394.288 3.580 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCCc3cccc(Cl)c3Cl)CC2)c1 ZINC000551708692 877680853 /nfs/dbraw/zinc/68/08/53/877680853.db2.gz ZOCGHVCGCMOBNF-UHFFFAOYSA-N 1 0 388.298 3.803 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1OCC ZINC000192771008 877712686 /nfs/dbraw/zinc/71/26/86/877712686.db2.gz BMUFODNQNBGHNR-CQSZACIVSA-N 1 0 385.464 3.855 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000851638983 877847997 /nfs/dbraw/zinc/84/79/97/877847997.db2.gz NWLMDZCYUYYLTR-CQSZACIVSA-N 1 0 398.322 3.944 20 30 GHEDRO C#CCC1(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCCCC1 ZINC000788157373 877887614 /nfs/dbraw/zinc/88/76/14/877887614.db2.gz RUVMRIOPFQXJSP-UHFFFAOYSA-N 1 0 395.591 3.987 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCc3cccc(C(N)=O)c3)c2)c1 ZINC000237756820 877943228 /nfs/dbraw/zinc/94/32/28/877943228.db2.gz OVYCVFKIPUDTAI-UHFFFAOYSA-N 1 0 385.467 3.568 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1OC ZINC000179742623 877959082 /nfs/dbraw/zinc/95/90/82/877959082.db2.gz YGZVWEZHIUQMMB-SFHVURJKSA-N 1 0 390.524 3.997 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000493011270 877984923 /nfs/dbraw/zinc/98/49/23/877984923.db2.gz UISUHCNYFYCAPB-UXHICEINSA-N 1 0 391.471 3.566 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)c(OC)c1 ZINC000285469627 912301918 /nfs/dbraw/zinc/30/19/18/912301918.db2.gz NOSYTZRFYBFXTD-GUYCJALGSA-N 1 0 385.464 3.853 20 30 GHEDRO C=CC1CCN(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000477694229 878040204 /nfs/dbraw/zinc/04/02/04/878040204.db2.gz QBTOWLUBRGOBBD-QGZVFWFLSA-N 1 0 388.531 3.636 20 30 GHEDRO C[NH+](C)[C@H]1CCCC(N=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000788409292 878066090 /nfs/dbraw/zinc/06/60/90/878066090.db2.gz RMTNAXJCUQHWMJ-NSHDSACASA-N 1 0 389.334 3.794 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C#N ZINC000543751458 912306704 /nfs/dbraw/zinc/30/67/04/912306704.db2.gz BZXYPDWVVCSDBF-GDBMZVCRSA-N 1 0 398.576 3.935 20 30 GHEDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000451526876 878090165 /nfs/dbraw/zinc/09/01/65/878090165.db2.gz OGIBOXRGTCEFDO-WMLDXEAASA-N 1 0 375.538 3.574 20 30 GHEDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000451526874 878091236 /nfs/dbraw/zinc/09/12/36/878091236.db2.gz OGIBOXRGTCEFDO-PBHICJAKSA-N 1 0 375.538 3.574 20 30 GHEDRO COc1cc2c(cc1C[NH+]1CCC(Oc3cccc(C#N)c3)CC1)O[C@@H](C)C2 ZINC000551986078 878111867 /nfs/dbraw/zinc/11/18/67/878111867.db2.gz ZNSHSAFUVYVWSJ-INIZCTEOSA-N 1 0 378.472 3.934 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460559983 878185502 /nfs/dbraw/zinc/18/55/02/878185502.db2.gz BDKQHJYTGTZDFH-UHFFFAOYSA-N 1 0 379.552 3.908 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000176317671 878208795 /nfs/dbraw/zinc/20/87/95/878208795.db2.gz DHNHAFGREADEPS-CRAIPNDOSA-N 1 0 390.325 3.785 20 30 GHEDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000451596457 878223788 /nfs/dbraw/zinc/22/37/88/878223788.db2.gz FXWCOENGRJIFDV-YLJYHZDGSA-N 1 0 391.581 3.706 20 30 GHEDRO C#C[C@H](NC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1F ZINC000852323201 878238992 /nfs/dbraw/zinc/23/89/92/878238992.db2.gz XBOXBIRJWZNKMK-IBGZPJMESA-N 1 0 377.891 3.575 20 30 GHEDRO Clc1ccc(CSc2nncn2[NH+]=CC2CCC3(CC2)OCCO3)cc1 ZINC000788702838 878266934 /nfs/dbraw/zinc/26/69/34/878266934.db2.gz XZZGMKBUTRSYJY-UHFFFAOYSA-N 1 0 392.912 3.991 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000068310433 878288164 /nfs/dbraw/zinc/28/81/64/878288164.db2.gz MCVMZVUUMYIWAL-WOJBJXKFSA-N 1 0 381.907 3.906 20 30 GHEDRO COCC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000451695142 878312043 /nfs/dbraw/zinc/31/20/43/878312043.db2.gz OOFFSQWPZVIVJW-OAHLLOKOSA-N 1 0 397.422 3.944 20 30 GHEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473540 878353746 /nfs/dbraw/zinc/35/37/46/878353746.db2.gz OSTOLTLJVFUBDE-QAPCUYQASA-N 1 0 397.416 3.853 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000530725831 878396370 /nfs/dbraw/zinc/39/63/70/878396370.db2.gz KFVRSKFIEYSVCM-ZRBLBEILSA-N 1 0 388.515 3.592 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1C ZINC000852598084 878451796 /nfs/dbraw/zinc/45/17/96/878451796.db2.gz UFXUMOSKOHHSOI-RBBKRZOGSA-N 1 0 383.536 3.831 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000180068048 878459278 /nfs/dbraw/zinc/45/92/78/878459278.db2.gz LXFXBVPFLVKGNK-NHCUHLMSSA-N 1 0 376.460 3.666 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](CO)CC(C)(C)C ZINC000451779621 878466783 /nfs/dbraw/zinc/46/67/83/878466783.db2.gz LXVWVDCQBHQRLV-CQSZACIVSA-N 1 0 377.554 3.556 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728668 878554270 /nfs/dbraw/zinc/55/42/70/878554270.db2.gz FTROCGSJHCOSFB-GKCIPKSASA-N 1 0 385.895 3.886 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000852849735 878633560 /nfs/dbraw/zinc/63/35/60/878633560.db2.gz IRMJNBPROOQSCJ-UHFFFAOYSA-N 1 0 395.330 3.504 20 30 GHEDRO CC(C)OCCOC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000451955071 878764249 /nfs/dbraw/zinc/76/42/49/878764249.db2.gz ZDIOJZARVQVMHK-UHFFFAOYSA-N 1 0 385.426 3.843 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000538125081 878849919 /nfs/dbraw/zinc/84/99/19/878849919.db2.gz LQPUSOPLTQOXTQ-STSQHVNTSA-N 1 0 394.519 3.754 20 30 GHEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000452028619 878851923 /nfs/dbraw/zinc/85/19/23/878851923.db2.gz CHDUGPUETXFQCI-IAGOWNOFSA-N 1 0 375.538 3.764 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460942680 878865333 /nfs/dbraw/zinc/86/53/33/878865333.db2.gz CPQYMHFKKYAJCA-FXAWDEMLSA-N 1 0 385.531 3.751 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460944540 878869760 /nfs/dbraw/zinc/86/97/60/878869760.db2.gz FWZNYIYPGNEVDA-FQEVSTJZSA-N 1 0 395.551 3.723 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1=S ZINC000111172017 878906508 /nfs/dbraw/zinc/90/65/08/878906508.db2.gz KJMQANXJXFPGCG-QGZVFWFLSA-N 1 0 383.565 3.641 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(C#N)c1F ZINC000538147474 878948182 /nfs/dbraw/zinc/94/81/82/878948182.db2.gz XZYWMJAMLSDNBN-UHFFFAOYSA-N 1 0 385.512 3.796 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000538168543 878969019 /nfs/dbraw/zinc/96/90/19/878969019.db2.gz UNUZGPATBVTNOX-QGZVFWFLSA-N 1 0 394.450 3.925 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CSCCS1 ZINC000925240920 878996556 /nfs/dbraw/zinc/99/65/56/878996556.db2.gz DWFYLVURAXYMAX-JKSUJKDBSA-N 1 0 399.626 3.744 20 30 GHEDRO CC/C(=C/C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000746820492 879034415 /nfs/dbraw/zinc/03/44/15/879034415.db2.gz JUVOWWCEKNHZFG-PGMHBOJBSA-N 1 0 391.515 3.951 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](COCc2ccccc2)c2ccccc2)cc1 ZINC000538257531 879134535 /nfs/dbraw/zinc/13/45/35/879134535.db2.gz YYPXJRQWXYJHHN-XMMPIXPASA-N 1 0 399.494 3.722 20 30 GHEDRO C#CCCCOc1cccnc1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000853585692 879143188 /nfs/dbraw/zinc/14/31/88/879143188.db2.gz IIHKZQILDUYRHY-UHFFFAOYSA-N 1 0 379.504 3.959 20 30 GHEDRO CCCc1cnc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000180818928 879374361 /nfs/dbraw/zinc/37/43/61/879374361.db2.gz VNLIKHKRCWQNMQ-UHFFFAOYSA-N 1 0 383.521 3.707 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000538406850 879396242 /nfs/dbraw/zinc/39/62/42/879396242.db2.gz WFOBHRLNPWEPRA-SCLBCKFNSA-N 1 0 389.377 3.913 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C#N)o2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452450127 879462349 /nfs/dbraw/zinc/46/23/49/879462349.db2.gz FSXRFTQVQZPFDS-NRFANRHFSA-N 1 0 377.488 3.914 20 30 GHEDRO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000069071035 879486763 /nfs/dbraw/zinc/48/67/63/879486763.db2.gz GZVIIEIUQHLACS-SFHVURJKSA-N 1 0 379.504 3.997 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000152646410 879516007 /nfs/dbraw/zinc/51/60/07/879516007.db2.gz MKLUKFRCBHWMFN-LBPRGKRZSA-N 1 0 376.359 3.597 20 30 GHEDRO CON=Cc1ccc(-c2nc([C@@H]3CN(Cc4ccccc4)C[C@H](C)O3)no2)cc1 ZINC000854108190 879544331 /nfs/dbraw/zinc/54/43/31/879544331.db2.gz ZRKJTWAIYAAVMG-JXFKEZNVSA-N 1 0 392.459 3.679 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H](c2noc(-c3ccccc3OCC#N)n2)O1 ZINC000854108186 879544834 /nfs/dbraw/zinc/54/48/34/879544834.db2.gz ZKHASAMFJIXGKU-OXQOHEQNSA-N 1 0 390.443 3.601 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)C2=O)cc1 ZINC000790312211 879589290 /nfs/dbraw/zinc/58/92/90/879589290.db2.gz YVBSWGAAMJFJMW-VABKMULXSA-N 1 0 389.499 3.642 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000181056074 879644109 /nfs/dbraw/zinc/64/41/09/879644109.db2.gz JIYUDLUQFNDWNC-KRWDZBQOSA-N 1 0 393.434 3.919 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC)Cc2ccccc2Br)CC1 ZINC000470171264 879774409 /nfs/dbraw/zinc/77/44/09/879774409.db2.gz HLZKPLXRVYMCDO-MRXNPFEDSA-N 1 0 394.357 3.720 20 30 GHEDRO C=CCc1cc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c(O)c(OC)c1 ZINC000795698151 912494378 /nfs/dbraw/zinc/49/43/78/912494378.db2.gz DWMODPGUGJHILH-UHFFFAOYSA-N 1 0 379.460 3.854 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)CC3CCCC3)c2)c1 ZINC000238120788 879777566 /nfs/dbraw/zinc/77/75/66/879777566.db2.gz SCQFBPUDSVEYPR-UHFFFAOYSA-N 1 0 391.515 3.923 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc([S@](C)(=N)=O)cc1)C(C)C ZINC000888485577 879790063 /nfs/dbraw/zinc/79/00/63/879790063.db2.gz YXXUVYVIKXJWNZ-WXTAPIANSA-N 1 0 378.542 3.542 20 30 GHEDRO C=CC[C@]1(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790533875 879801423 /nfs/dbraw/zinc/80/14/23/879801423.db2.gz GKEIMZIGXOGTDB-JOCHJYFZSA-N 1 0 393.572 3.665 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461442272 879823042 /nfs/dbraw/zinc/82/30/42/879823042.db2.gz FKOKJVKBWXHUGA-RTBURBONSA-N 1 0 379.891 3.806 20 30 GHEDRO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000538663915 879910710 /nfs/dbraw/zinc/91/07/10/879910710.db2.gz JASUAAXBECFRKI-LJQANCHMSA-N 1 0 379.508 3.982 20 30 GHEDRO N#CCn1c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc2ccccc21 ZINC000609168305 879965866 /nfs/dbraw/zinc/96/58/66/879965866.db2.gz AVHQYLFOEHRMHP-UHFFFAOYSA-N 1 0 398.510 3.828 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000564388132 880020154 /nfs/dbraw/zinc/02/01/54/880020154.db2.gz VIICVJGEYBFJCM-LSDHHAIUSA-N 1 0 389.931 3.712 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000112654428 880063324 /nfs/dbraw/zinc/06/33/24/880063324.db2.gz VYNDSRCVIUDPOH-NRFANRHFSA-N 1 0 383.467 3.718 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)s1 ZINC000855163143 880315136 /nfs/dbraw/zinc/31/51/36/880315136.db2.gz TXURDZTYRBGTFQ-ZDUSSCGKSA-N 1 0 388.002 3.828 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccccc1 ZINC000286065499 912555577 /nfs/dbraw/zinc/55/55/77/912555577.db2.gz ATIFEXPKOCFTAU-GFCCVEGCSA-O 1 0 382.431 3.715 20 30 GHEDRO CC(C)(CO)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000286100745 912569145 /nfs/dbraw/zinc/56/91/45/912569145.db2.gz MNEXEXQSPKKPIN-QHCPKHFHSA-N 1 0 377.532 3.919 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cc1 ZINC000113327932 880517190 /nfs/dbraw/zinc/51/71/90/880517190.db2.gz UIQMFKOBZNNYPO-HXUWFJFHSA-N 1 0 378.516 3.599 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)ccc1OC ZINC000113347517 880520463 /nfs/dbraw/zinc/52/04/63/880520463.db2.gz MALLNQXWESLUSV-QFBILLFUSA-N 1 0 379.460 3.957 20 30 GHEDRO Cc1cc(S[C@H](C)C(=O)OCCC[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC000791587906 880552783 /nfs/dbraw/zinc/55/27/83/880552783.db2.gz JNPKGABEFOZKBP-OAHLLOKOSA-N 1 0 396.516 3.643 20 30 GHEDRO C=C(C)C[C@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000185485111 880595362 /nfs/dbraw/zinc/59/53/62/880595362.db2.gz DPYQGQWGDRMZLI-IBGZPJMESA-N 1 0 378.520 3.945 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)C1 ZINC000776825334 880667616 /nfs/dbraw/zinc/66/76/16/880667616.db2.gz GSVKPOLAYODCLE-GJZGRUSLSA-N 1 0 379.888 3.589 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000453361595 880803463 /nfs/dbraw/zinc/80/34/63/880803463.db2.gz KRKMMAHARDZVBP-CZUORRHYSA-N 1 0 391.284 3.962 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000531960035 880826316 /nfs/dbraw/zinc/82/63/16/880826316.db2.gz OJJCETNFUNZZKO-IBGZPJMESA-N 1 0 385.895 3.788 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000453365943 880848960 /nfs/dbraw/zinc/84/89/60/880848960.db2.gz LWUUEENZHWQNKA-HIFRSBDPSA-N 1 0 391.284 3.962 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000453416139 880881654 /nfs/dbraw/zinc/88/16/54/880881654.db2.gz USPDBJOCCREUPM-JBACZVJFSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453443069 880907346 /nfs/dbraw/zinc/90/73/46/880907346.db2.gz QEZGUNHJEMIGGJ-NHCUHLMSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000453447446 880915602 /nfs/dbraw/zinc/91/56/02/880915602.db2.gz XJLGIIZIGPAURH-HXUWFJFHSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453431578 880934782 /nfs/dbraw/zinc/93/47/82/880934782.db2.gz AAOFJZVZQKDWPM-SFTDATJTSA-N 1 0 395.551 3.664 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000453433924 880940441 /nfs/dbraw/zinc/94/04/41/880940441.db2.gz DUTZTWSRAKEGBE-UFYCRDLUSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453464407 880968004 /nfs/dbraw/zinc/96/80/04/880968004.db2.gz LFTLBXYEFZPPNY-ZJOUEHCJSA-N 1 0 395.551 3.805 20 30 GHEDRO N#CCOc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000856170325 881007303 /nfs/dbraw/zinc/00/73/03/881007303.db2.gz YOLOHPSRQHCUGZ-FQEVSTJZSA-N 1 0 389.499 3.621 20 30 GHEDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000453595679 881067412 /nfs/dbraw/zinc/06/74/12/881067412.db2.gz MRWSHPGDDANLDH-MRXNPFEDSA-N 1 0 393.466 3.727 20 30 GHEDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000556959344 881210248 /nfs/dbraw/zinc/21/02/48/881210248.db2.gz SLDYVBCPVVUQRT-UHFFFAOYSA-N 1 0 382.430 3.699 20 30 GHEDRO C=CCOc1cccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000119970852 881234653 /nfs/dbraw/zinc/23/46/53/881234653.db2.gz BLXLTGFVZYKFFJ-UHFFFAOYSA-N 1 0 387.524 3.608 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729852964 883266377 /nfs/dbraw/zinc/26/63/77/883266377.db2.gz ZGXKCNJLLRDWDH-DENIHFKCSA-N 1 0 398.466 3.687 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000476882475 883324530 /nfs/dbraw/zinc/32/45/30/883324530.db2.gz JGFCSHJQXXWCJK-VGSWGCGISA-N 1 0 376.504 3.829 20 30 GHEDRO N#C[C@H](Cc1ccc(O)cc1)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183617039 912700702 /nfs/dbraw/zinc/70/07/02/912700702.db2.gz LPMRATUQRVGSHN-UFYCRDLUSA-N 1 0 395.478 3.512 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1nnc2n1CCCCC2 ZINC000286349105 912704645 /nfs/dbraw/zinc/70/46/45/912704645.db2.gz YSBIVOCGCPWELW-FQEVSTJZSA-N 1 0 378.524 3.586 20 30 GHEDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000609598419 883432102 /nfs/dbraw/zinc/43/21/02/883432102.db2.gz APZQPFREDQFLSE-UHFFFAOYSA-N 1 0 393.535 3.590 20 30 GHEDRO N#Cc1ccc(OCCC[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000064481584 883507237 /nfs/dbraw/zinc/50/72/37/883507237.db2.gz DOASCSNNHLNNDU-UHFFFAOYSA-N 1 0 397.906 3.829 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000476990994 883526941 /nfs/dbraw/zinc/52/69/41/883526941.db2.gz XZRBGTOYEWUOBU-HXUWFJFHSA-N 1 0 388.600 3.648 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214591 883666704 /nfs/dbraw/zinc/66/67/04/883666704.db2.gz LCRSOUPTIHEVPG-SFHVURJKSA-N 1 0 396.510 3.654 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)c(C)c2)CC1 ZINC000610317858 883778253 /nfs/dbraw/zinc/77/82/53/883778253.db2.gz MNKLLNAZWPXRTN-GOSISDBHSA-N 1 0 391.519 3.891 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000859367882 883779076 /nfs/dbraw/zinc/77/90/76/883779076.db2.gz OELAZQVEBRSOIC-YPMHNXCESA-N 1 0 399.800 3.716 20 30 GHEDRO COc1ccc2cc(CN(C)C(=O)C[NH2+]C3(c4cccc(C#N)c4)CC3)ccc2c1 ZINC000551412267 883825641 /nfs/dbraw/zinc/82/56/41/883825641.db2.gz UEUOTPDQAYJZKE-UHFFFAOYSA-N 1 0 399.494 3.957 20 30 GHEDRO COc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1C#N ZINC000747245690 883877058 /nfs/dbraw/zinc/87/70/58/883877058.db2.gz GGIVQVIVZDFTFP-UHFFFAOYSA-N 1 0 392.503 3.917 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCCSCC#N)CC[C@@H]1C(F)(F)F ZINC000859604554 883927600 /nfs/dbraw/zinc/92/76/00/883927600.db2.gz JMHULFXTBFEBQV-KBPBESRZSA-N 1 0 395.491 3.658 20 30 GHEDRO CCCCN(C(=O)C#Cc1ccc2c(c1)OCO2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000761751943 884037774 /nfs/dbraw/zinc/03/77/74/884037774.db2.gz ORPQFGDTMXWCEY-UHFFFAOYSA-N 1 0 384.520 3.705 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000498349515 884135345 /nfs/dbraw/zinc/13/53/45/884135345.db2.gz DHXRWHIHZMWAQM-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO N#CC1(CCCOC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CCOCC1 ZINC000859960600 884213840 /nfs/dbraw/zinc/21/38/40/884213840.db2.gz RQACQVFHTZCGAG-FCHUYYIVSA-N 1 0 396.531 3.788 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000476295712 884389049 /nfs/dbraw/zinc/38/90/49/884389049.db2.gz MUZIGOPKPFXNRX-FGZHOGPDSA-N 1 0 381.516 3.871 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)cn1 ZINC000860206654 884416882 /nfs/dbraw/zinc/41/68/82/884416882.db2.gz VQBYLPRMWFKTJA-HTAPYJJXSA-N 1 0 392.503 3.775 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@]4(CCOC4)C3)sc2C1 ZINC000556312119 884424195 /nfs/dbraw/zinc/42/41/95/884424195.db2.gz HRYRTQPKSYOPAQ-QVKFZJNVSA-N 1 0 387.549 3.576 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)/C=C/c1ccc(Br)o1)C(C)C ZINC000914687831 884511290 /nfs/dbraw/zinc/51/12/90/884511290.db2.gz DECYMFDHGHRYMG-DZZUKKPASA-N 1 0 381.314 3.870 20 30 GHEDRO CCCCCCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC001168284735 884516814 /nfs/dbraw/zinc/51/68/14/884516814.db2.gz METHHTABRFCAAB-UHFFFAOYSA-N 1 0 389.565 3.902 20 30 GHEDRO C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2C#N)cc1 ZINC001183837645 912841067 /nfs/dbraw/zinc/84/10/67/912841067.db2.gz ZUPXJYHCMMFQNC-HSZRJFAPSA-N 1 0 390.531 3.656 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000556343649 884537231 /nfs/dbraw/zinc/53/72/31/884537231.db2.gz HKKYDLNRXDIKPV-CABCVRRESA-N 1 0 377.897 3.644 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)CCCC2)cc1 ZINC000860301697 884543824 /nfs/dbraw/zinc/54/38/24/884543824.db2.gz KIIMUAQUCBNRDJ-KNQAVFIVSA-N 1 0 377.532 3.845 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000806310005 884555784 /nfs/dbraw/zinc/55/57/84/884555784.db2.gz OQLJZDBHTWLIIM-WOJBJXKFSA-N 1 0 381.545 3.819 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000176574967 884556671 /nfs/dbraw/zinc/55/66/71/884556671.db2.gz NRTNJDIUDQVVJZ-RBUKOAKNSA-N 1 0 393.572 3.617 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455869854 884620059 /nfs/dbraw/zinc/62/00/59/884620059.db2.gz WPWPGWOFZSLWEV-NRFANRHFSA-N 1 0 383.492 3.931 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000193184964 884637759 /nfs/dbraw/zinc/63/77/59/884637759.db2.gz QDQFTHULIFSLSE-UHFFFAOYSA-N 1 0 393.556 3.615 20 30 GHEDRO COC1CC[NH+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000610572269 884783436 /nfs/dbraw/zinc/78/34/36/884783436.db2.gz PGZFYBDYELQNRG-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191317025 884875042 /nfs/dbraw/zinc/87/50/42/884875042.db2.gz NZOZMYNFPLTIAX-LBPRGKRZSA-N 1 0 381.427 3.702 20 30 GHEDRO C=CC[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000806818896 885031909 /nfs/dbraw/zinc/03/19/09/885031909.db2.gz JLVHZJNMPZJTNZ-QFIPXVFZSA-N 1 0 394.519 3.671 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@H+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000051852294 885032143 /nfs/dbraw/zinc/03/21/43/885032143.db2.gz OSUSOIBIIUVSJO-UHFFFAOYSA-N 1 0 393.516 3.815 20 30 GHEDRO CC1(C#N)CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000612177713 885082443 /nfs/dbraw/zinc/08/24/43/885082443.db2.gz UJSVATYYCBXBBY-PWRODBHTSA-N 1 0 380.536 3.622 20 30 GHEDRO COC(=O)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCCC1 ZINC000610723775 885089896 /nfs/dbraw/zinc/08/98/96/885089896.db2.gz RMVYYYCADKJABE-UHFFFAOYSA-N 1 0 378.472 3.960 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3cccc(Br)c3)CC2)C1=O ZINC001275268955 912896672 /nfs/dbraw/zinc/89/66/72/912896672.db2.gz NUWRCACBVVTZQW-UHFFFAOYSA-N 1 0 390.325 3.567 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460377120 885156734 /nfs/dbraw/zinc/15/67/34/885156734.db2.gz SBOWOOUYRDFTTA-UHFFFAOYSA-N 1 0 395.551 3.985 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460387707 885233945 /nfs/dbraw/zinc/23/39/45/885233945.db2.gz MHSSUKYXDAWVBF-HXUWFJFHSA-N 1 0 390.535 3.570 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191509984 885246934 /nfs/dbraw/zinc/24/69/34/885246934.db2.gz JRFYJRNZPURBII-OAHLLOKOSA-N 1 0 387.915 3.710 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537561890 885418798 /nfs/dbraw/zinc/41/87/98/885418798.db2.gz PDGXVPUJLCNKBJ-PKOBYXMFSA-N 1 0 387.572 3.845 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000303008272 885422935 /nfs/dbraw/zinc/42/29/35/885422935.db2.gz WGLCHGBUJOKSEW-UHFFFAOYSA-N 1 0 390.531 3.762 20 30 GHEDRO CCc1cccc(C)c1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000037110437 885656110 /nfs/dbraw/zinc/65/61/10/885656110.db2.gz CYQKJYXQSLHEOA-UHFFFAOYSA-N 1 0 390.531 3.576 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000286906994 912964544 /nfs/dbraw/zinc/96/45/44/912964544.db2.gz FQBRUOWUGUUCGN-NQIIRXRSSA-N 1 0 396.535 3.591 20 30 GHEDRO CC(C)(C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(C#N)cc1 ZINC000861674125 885752465 /nfs/dbraw/zinc/75/24/65/885752465.db2.gz SRCQSXKKKAURFD-VWLOTQADSA-N 1 0 387.527 3.960 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)OC(C)(C)C3)sc2C1 ZINC000532487521 885823290 /nfs/dbraw/zinc/82/32/90/885823290.db2.gz FKXWIXKHARFWIO-ZIAGYGMSSA-N 1 0 375.538 3.572 20 30 GHEDRO Cc1ccccc1C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000193388082 885897156 /nfs/dbraw/zinc/89/71/56/885897156.db2.gz ZAEUXIBKOFKHBP-FQEVSTJZSA-N 1 0 390.531 3.715 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000108782333 885918988 /nfs/dbraw/zinc/91/89/88/885918988.db2.gz KBUDNNKASFHJEP-HNNXBMFYSA-N 1 0 379.435 3.704 20 30 GHEDRO N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CCO2)c1 ZINC000762385220 886130749 /nfs/dbraw/zinc/13/07/49/886130749.db2.gz RNVVOECIHMZVIT-XZOQPEGZSA-N 1 0 389.499 3.513 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000780677622 886132634 /nfs/dbraw/zinc/13/26/34/886132634.db2.gz LSOIZXYEOJRBEI-LMMKCTJWSA-N 1 0 378.476 3.934 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000556849948 886352688 /nfs/dbraw/zinc/35/26/88/886352688.db2.gz KPZSVAUGERSIBB-GOSISDBHSA-N 1 0 399.922 3.831 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)cc1C#N ZINC000808451422 886361222 /nfs/dbraw/zinc/36/12/22/886361222.db2.gz LJHJRHWJBJYUIT-QAQDUYKDSA-N 1 0 387.524 3.988 20 30 GHEDRO C[NH+]=C(NCc1ncccc1C)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000153597975 886552868 /nfs/dbraw/zinc/55/28/68/886552868.db2.gz DUPZQEBADYCDOW-SFHVURJKSA-N 1 0 392.425 3.558 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000808616146 886559337 /nfs/dbraw/zinc/55/93/37/886559337.db2.gz UOIGZEKUZHXYIL-OOZJCBPQSA-N 1 0 377.488 3.801 20 30 GHEDRO CC1(C)CN(C(=O)c2cc(C#N)ccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000576467380 886636003 /nfs/dbraw/zinc/63/60/03/886636003.db2.gz FQWIJMXWOYPCRZ-JOCHJYFZSA-N 1 0 388.515 3.716 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000808706277 886685405 /nfs/dbraw/zinc/68/54/05/886685405.db2.gz GLUJCOJIPPTXGN-IBGZPJMESA-N 1 0 379.460 3.580 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)OCc2ccc(C#N)cc2Cl)cc1 ZINC000808755694 886731778 /nfs/dbraw/zinc/73/17/78/886731778.db2.gz KLVCSCKROXRULH-POHAHGRESA-N 1 0 384.863 3.909 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000248970604 886995473 /nfs/dbraw/zinc/99/54/73/886995473.db2.gz DDVDNLBBTNBWDX-NXXSPTCGSA-N 1 0 387.842 3.798 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2ccc(SC)c(C#N)c2)cc1 ZINC001184258812 913104747 /nfs/dbraw/zinc/10/47/47/913104747.db2.gz ZLHGMQXHNBICFH-HXUWFJFHSA-N 1 0 383.517 3.644 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000119475295 887121485 /nfs/dbraw/zinc/12/14/85/887121485.db2.gz GDXYOUZLKUHXFA-KNQAVFIVSA-N 1 0 376.500 3.583 20 30 GHEDRO C[NH+](C)CCN(C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000487988418 887183750 /nfs/dbraw/zinc/18/37/50/887183750.db2.gz YTMABFGBNZYDRF-UHFFFAOYSA-N 1 0 379.302 3.659 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cccc21 ZINC000863557751 887209624 /nfs/dbraw/zinc/20/96/24/887209624.db2.gz QUFXCQZIGAKMAK-KRWDZBQOSA-N 1 0 385.508 3.519 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH2+]CC2(C#N)CCOCC2)C1 ZINC001184276280 913127544 /nfs/dbraw/zinc/12/75/44/913127544.db2.gz GKHKZTIJVFFOKB-VQTJNVASSA-N 1 0 399.535 3.690 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC001168497759 887322363 /nfs/dbraw/zinc/32/23/63/887322363.db2.gz NWQIIAPPBZQGEB-QFIPXVFZSA-N 1 0 393.462 3.976 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-c2nnc(C)o2)cc1)C(C)C ZINC000747564806 887571855 /nfs/dbraw/zinc/57/18/55/887571855.db2.gz PHVHVSVJXULSNP-IBGZPJMESA-N 1 0 383.496 3.865 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(n3ncc(C(=O)OCC)c3C)CC2)cc1 ZINC000809687524 887704428 /nfs/dbraw/zinc/70/44/28/887704428.db2.gz IRYQQOAFVMUXBI-UHFFFAOYSA-N 1 0 395.503 3.607 20 30 GHEDRO N#CCOc1cccc(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000120418386 888231680 /nfs/dbraw/zinc/23/16/80/888231680.db2.gz DEVSVYSFUFVNSU-UHFFFAOYSA-N 1 0 391.515 3.824 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000810225719 888301479 /nfs/dbraw/zinc/30/14/79/888301479.db2.gz KWNAZSZPJKWVFL-CTBAPTLKSA-N 1 0 397.425 3.809 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532700189 888331579 /nfs/dbraw/zinc/33/15/79/888331579.db2.gz MDQDJWRXTZZARB-ZGXWSNOMSA-N 1 0 389.609 3.988 20 30 GHEDRO CN(C)c1ccc(N2CCC(NC(=O)Nc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000810254211 888355273 /nfs/dbraw/zinc/35/52/73/888355273.db2.gz KEVDNUGSVVEUQD-UHFFFAOYSA-N 1 0 381.455 3.554 20 30 GHEDRO N#Cc1ccc([C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000763227091 888373367 /nfs/dbraw/zinc/37/33/67/888373367.db2.gz UWJDMLVMVANXCC-VWLOTQADSA-N 1 0 397.522 3.999 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCCCC1 ZINC000810281037 888377319 /nfs/dbraw/zinc/37/73/19/888377319.db2.gz USNAWEKXMTWHAB-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000503420796 888455866 /nfs/dbraw/zinc/45/58/66/888455866.db2.gz MAIOXAPEEUTIDQ-CTNGQTDRSA-N 1 0 393.535 3.683 20 30 GHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000532716199 888482586 /nfs/dbraw/zinc/48/25/86/888482586.db2.gz MXFIYPMDQFXPHJ-UHFFFAOYSA-N 1 0 386.293 3.870 20 30 GHEDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000454298238 888509843 /nfs/dbraw/zinc/50/98/43/888509843.db2.gz VAKZHVYYENFUEV-UHFFFAOYSA-N 1 0 383.521 3.601 20 30 GHEDRO COc1ccccc1-c1ncc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)cn1 ZINC000865695975 888519148 /nfs/dbraw/zinc/51/91/48/888519148.db2.gz RYFCZGOLGGUMEP-UHFFFAOYSA-N 1 0 399.498 3.782 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000865696341 888520946 /nfs/dbraw/zinc/52/09/46/888520946.db2.gz ZTRVJUOVPWUHOK-UHFFFAOYSA-N 1 0 392.894 3.551 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000865780360 888567262 /nfs/dbraw/zinc/56/72/62/888567262.db2.gz ISYHHNIAZSYWCD-QHCPKHFHSA-N 1 0 392.499 3.813 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccccc2OCOC)no1 ZINC001211975273 888763609 /nfs/dbraw/zinc/76/36/09/888763609.db2.gz BKOHFWWMGGHKFG-WMZOPIPTSA-N 1 0 389.496 3.797 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)nn1-c1cccc(C#N)c1 ZINC001132400847 888769741 /nfs/dbraw/zinc/76/97/41/888769741.db2.gz RPXDKRUNOHOKPL-NRFANRHFSA-N 1 0 391.519 3.579 20 30 GHEDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866444967 888882025 /nfs/dbraw/zinc/88/20/25/888882025.db2.gz FTPMNCWADJKGPD-SFHVURJKSA-N 1 0 376.504 3.558 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000496592731 888907371 /nfs/dbraw/zinc/90/73/71/888907371.db2.gz NPXSDLYFQCFDJV-GOSISDBHSA-N 1 0 391.556 3.760 20 30 GHEDRO COc1ccccc1C(C)=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916307253 888911233 /nfs/dbraw/zinc/91/12/33/888911233.db2.gz ZJHDTFRIBJCHCE-UHFFFAOYSA-N 1 0 396.560 3.548 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C12CCC2 ZINC000153949391 888935163 /nfs/dbraw/zinc/93/51/63/888935163.db2.gz RHKBTTFMRVBLFQ-LSTHTHJFSA-N 1 0 390.487 3.503 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000866617098 888970710 /nfs/dbraw/zinc/97/07/10/888970710.db2.gz DXYDPGASWFNEJL-RDTXWAMCSA-N 1 0 378.476 3.540 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1-c1noc(C)n1)C(C)C ZINC000916521991 889081009 /nfs/dbraw/zinc/08/10/09/889081009.db2.gz UKDIFPYOCMSVIP-IBGZPJMESA-N 1 0 383.496 3.865 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)NCCCCC(F)(F)F)CC2)cc1 ZINC000794969554 889098576 /nfs/dbraw/zinc/09/85/76/889098576.db2.gz NEGKYXZZDCTFCF-UHFFFAOYSA-N 1 0 398.498 3.673 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001132607824 889209830 /nfs/dbraw/zinc/20/98/30/889209830.db2.gz RRRVHEOVEWCUFV-QFIPXVFZSA-N 1 0 378.516 3.965 20 30 GHEDRO Cc1nc(-c2ccc(CNC(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)s2)cs1 ZINC000867955393 889236105 /nfs/dbraw/zinc/23/61/05/889236105.db2.gz ZSEPTXUYRODWTP-LJQANCHMSA-N 1 0 394.525 3.555 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C(F)(F)F)c1 ZINC000868210066 889354070 /nfs/dbraw/zinc/35/40/70/889354070.db2.gz MTTXHGHXSNCSAK-ROUUACIJSA-N 1 0 394.441 3.583 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC2CC[NH+](C(C)C)CC2)c1 ZINC000868253252 889370334 /nfs/dbraw/zinc/37/03/34/889370334.db2.gz MAKUYMGCAMCOSX-HXUWFJFHSA-N 1 0 386.540 3.677 20 30 GHEDRO C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000454628029 889402534 /nfs/dbraw/zinc/40/25/34/889402534.db2.gz XWSHDCKAIKWLAI-SFHVURJKSA-N 1 0 375.516 3.690 20 30 GHEDRO C=CC[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287269 889556661 /nfs/dbraw/zinc/55/66/61/889556661.db2.gz UTFLJGWSSCXOPN-UHFFFAOYSA-N 1 0 385.489 3.619 20 30 GHEDRO C[C@H](CCc1ccccc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000533020607 889570567 /nfs/dbraw/zinc/57/05/67/889570567.db2.gz ROJLUDMSXMPMDA-QGZVFWFLSA-N 1 0 376.460 3.950 20 30 GHEDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000454719495 889608011 /nfs/dbraw/zinc/60/80/11/889608011.db2.gz RCWMNTDJSNIMTH-UHFFFAOYSA-N 1 0 384.455 3.738 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccnc(Cl)c3Cl)CC2)cc1 ZINC000811454560 889613881 /nfs/dbraw/zinc/61/38/81/889613881.db2.gz NSRYLKIZVZPPDC-UHFFFAOYSA-N 1 0 375.303 3.968 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000811482106 889633397 /nfs/dbraw/zinc/63/33/97/889633397.db2.gz SEYUSMDUBIZCKK-INIZCTEOSA-N 1 0 383.414 3.970 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)COCC(=O)N2C[C@H](C)CC(F)(F)F ZINC001275329696 913393868 /nfs/dbraw/zinc/39/38/68/913393868.db2.gz DPKQYGIINNXTKV-MRXNPFEDSA-N 1 0 376.463 3.625 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C(F)(F)F ZINC001168516900 889842179 /nfs/dbraw/zinc/84/21/79/889842179.db2.gz BVEDRLSOSJBOQN-HOTGVXAUSA-N 1 0 383.414 3.978 20 30 GHEDRO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454905845 889949374 /nfs/dbraw/zinc/94/93/74/889949374.db2.gz GZFIMRLXHZYRCV-RTWAWAEBSA-N 1 0 385.552 3.569 20 30 GHEDRO CCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533269819 890132369 /nfs/dbraw/zinc/13/23/69/890132369.db2.gz DXLDDPAKHOUERM-XMSQKQJNSA-N 1 0 376.504 3.654 20 30 GHEDRO C=CCCCCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CC(F)(F)F)C2)C1 ZINC001275335042 913418603 /nfs/dbraw/zinc/41/86/03/913418603.db2.gz DZBVVOCMUDEFMB-SFHVURJKSA-N 1 0 376.463 3.626 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCC[N@@H+]3CCc4ccccc4C3)c2c1 ZINC001184776029 913425439 /nfs/dbraw/zinc/42/54/39/913425439.db2.gz VTSNSWKQXJWDOL-UHFFFAOYSA-N 1 0 388.471 3.594 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCCC[NH+]1CCCC1 ZINC000455106277 890354554 /nfs/dbraw/zinc/35/45/54/890354554.db2.gz ARSKLEMICRLHNF-UHFFFAOYSA-N 1 0 381.442 3.622 20 30 GHEDRO C#Cc1cccc(NC(=S)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000795140766 890459365 /nfs/dbraw/zinc/45/93/65/890459365.db2.gz WRODRXTXNRNNIF-HSZRJFAPSA-N 1 0 375.541 3.963 20 30 GHEDRO N#CCCn1cc(CN2CC[NH+](C3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000126484088 890559435 /nfs/dbraw/zinc/55/94/35/890559435.db2.gz ZDTNRILHSALBJK-UHFFFAOYSA-N 1 0 377.536 3.914 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000126959711 890832972 /nfs/dbraw/zinc/83/29/72/890832972.db2.gz IKDFNZRZAXWPGQ-COPCDDAFSA-N 1 0 376.504 3.851 20 30 GHEDRO C=C[C@@](C)(CC)C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812772481 890949149 /nfs/dbraw/zinc/94/91/49/890949149.db2.gz WFUMRQZUYNQORM-IRZJEQJZSA-N 1 0 393.572 3.569 20 30 GHEDRO N#CCc1ccnc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000871725304 890992478 /nfs/dbraw/zinc/99/24/78/890992478.db2.gz VRCSERGWVXIZKI-HSZRJFAPSA-N 1 0 389.503 3.668 20 30 GHEDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000897522035 891006981 /nfs/dbraw/zinc/00/69/81/891006981.db2.gz KRMOSMUWSQGCGA-LJQANCHMSA-N 1 0 383.458 3.596 20 30 GHEDRO C#C[C@@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000812935410 891143216 /nfs/dbraw/zinc/14/32/16/891143216.db2.gz CEBHZAQQMQTMLU-JOCHJYFZSA-N 1 0 394.494 3.843 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000872641361 891293870 /nfs/dbraw/zinc/29/38/70/891293870.db2.gz XBUADYIBZOZODV-UHFFFAOYSA-N 1 0 391.450 3.765 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000917126010 891342211 /nfs/dbraw/zinc/34/22/11/891342211.db2.gz JSKOYUVKRRURGB-UHFFFAOYSA-N 1 0 388.446 3.759 20 30 GHEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000747852747 891560667 /nfs/dbraw/zinc/56/06/67/891560667.db2.gz DMUUXONVGFPXAT-LJQANCHMSA-N 1 0 382.570 3.549 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873311440 891575289 /nfs/dbraw/zinc/57/52/89/891575289.db2.gz XIQVGAJRZWXOOQ-QAPCUYQASA-N 1 0 380.517 3.774 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000251432262 891617343 /nfs/dbraw/zinc/61/73/43/891617343.db2.gz BHNVOFZPGBLSFX-ZIFCJYIRSA-N 1 0 397.548 3.989 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000067706873 891706952 /nfs/dbraw/zinc/70/69/52/891706952.db2.gz XFIKNOKSVBAGNO-UHFFFAOYSA-N 1 0 376.460 3.614 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000161978892 891869958 /nfs/dbraw/zinc/86/99/58/891869958.db2.gz ZMYDUQZBYTUGBP-UHFFFAOYSA-N 1 0 394.519 3.704 20 30 GHEDRO CC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000497620911 892027593 /nfs/dbraw/zinc/02/75/93/892027593.db2.gz QQGSGHCFKCQDLI-CTNGQTDRSA-N 1 0 390.531 3.584 20 30 GHEDRO C=CC[C@H](CO)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000497776658 892388134 /nfs/dbraw/zinc/38/81/34/892388134.db2.gz UDSKKWQLFCQXBV-QTJGBDASSA-N 1 0 392.543 3.511 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1cccc(C)c1 ZINC000154494616 892419464 /nfs/dbraw/zinc/41/94/64/892419464.db2.gz YXAFTUWGLXKPED-HNNXBMFYSA-O 1 0 384.525 3.568 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 ZINC000154507156 892494091 /nfs/dbraw/zinc/49/40/91/892494091.db2.gz ZDMOUGLKHCANCJ-CYBMUJFWSA-O 1 0 392.495 3.645 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCCSC[C@H]2c2ccccc2OC)CC1 ZINC000875248568 892509215 /nfs/dbraw/zinc/50/92/15/892509215.db2.gz QZDBSFXPZCDTGP-IBGZPJMESA-N 1 0 389.565 3.535 20 30 GHEDRO CCc1ccc(C#CC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000814489481 892770734 /nfs/dbraw/zinc/77/07/34/892770734.db2.gz BASRYBUJWHNTSK-QFIPXVFZSA-N 1 0 388.511 3.705 20 30 GHEDRO C#CCC[NH+]1CCN(Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)CC1 ZINC000272070979 892887756 /nfs/dbraw/zinc/88/77/56/892887756.db2.gz YXAXPPLWTFRGGJ-UHFFFAOYSA-N 1 0 396.560 3.585 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]CC3(OCCO)CCC(C(F)F)CC3)cc2)CC1 ZINC000897541962 893019968 /nfs/dbraw/zinc/01/99/68/893019968.db2.gz AUTOWDGXWZKLOT-UHFFFAOYSA-N 1 0 378.463 3.534 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)Cc1ccccc1 ZINC000533812952 893087415 /nfs/dbraw/zinc/08/74/15/893087415.db2.gz RRSGZXSYAQCSFZ-XMMPIXPASA-N 1 0 398.510 3.776 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000876637867 893268688 /nfs/dbraw/zinc/26/86/88/893268688.db2.gz UFYPPPCIKCYKIN-ZIAGYGMSSA-N 1 0 387.705 3.591 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000876689519 893291037 /nfs/dbraw/zinc/29/10/37/893291037.db2.gz FFSBUWNNGDIZON-CYBMUJFWSA-N 1 0 389.830 3.915 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(OCCC)cc1 ZINC000876729901 893302922 /nfs/dbraw/zinc/30/29/22/893302922.db2.gz AEJYNRQSASKCCA-GOSISDBHSA-N 1 0 389.883 3.749 20 30 GHEDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536662975 893474588 /nfs/dbraw/zinc/47/45/88/893474588.db2.gz NOXCOQOHHGBLOG-FQEVSTJZSA-N 1 0 396.512 3.618 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000877094614 893480835 /nfs/dbraw/zinc/48/08/35/893480835.db2.gz LDJUANBUTJOBQI-AWEZNQCLSA-N 1 0 383.801 3.566 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1C#N ZINC000815156080 893492665 /nfs/dbraw/zinc/49/26/65/893492665.db2.gz UDUNIIOHUIMDKZ-QRWLVFNGSA-N 1 0 381.451 3.548 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)c1ccc(C#N)o1)c1cccc(Br)c1 ZINC000815165691 893501626 /nfs/dbraw/zinc/50/16/26/893501626.db2.gz KKUWQYNKAOXJNH-UHFFFAOYSA-N 1 0 390.281 3.902 20 30 GHEDRO N#Cc1ccncc1NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000536685343 893530456 /nfs/dbraw/zinc/53/04/56/893530456.db2.gz YHEGMABUFJKKDG-UHFFFAOYSA-N 1 0 389.425 3.596 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2([NH+](C)C)CCCC2)cc1C ZINC000498193812 893546060 /nfs/dbraw/zinc/54/60/60/893546060.db2.gz VSYPLKLGLZAKNP-UHFFFAOYSA-N 1 0 393.535 3.685 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1C ZINC000934332059 893552217 /nfs/dbraw/zinc/55/22/17/893552217.db2.gz CPWCIXYLGHRYPI-SFHVURJKSA-N 1 0 382.533 3.571 20 30 GHEDRO CCN(C(=O)NCCc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000466822225 913780635 /nfs/dbraw/zinc/78/06/35/913780635.db2.gz MMMQWCDXHGOMLI-WMZHIEFXSA-N 1 0 390.531 3.968 20 30 GHEDRO CC(C)([NH2+]Cc1cc(C#N)cnc1Cl)[C@@H](O)c1ccc(Br)cc1 ZINC000877359281 893573316 /nfs/dbraw/zinc/57/33/16/893573316.db2.gz HBNYLTLKJXHLEE-HNNXBMFYSA-N 1 0 394.700 3.971 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)cc1 ZINC000815218418 893626945 /nfs/dbraw/zinc/62/69/45/893626945.db2.gz AFEFITFSFBROBH-HXUWFJFHSA-N 1 0 388.870 3.766 20 30 GHEDRO N#CCCCN1C(=O)CCc2cc(NC3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000459498118 893634127 /nfs/dbraw/zinc/63/41/27/893634127.db2.gz UUZKZQICCQSVQN-UHFFFAOYSA-N 1 0 389.503 3.745 20 30 GHEDRO C#CCCCCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000877570634 893695628 /nfs/dbraw/zinc/69/56/28/893695628.db2.gz LGCKLPICKLFLIQ-IBGZPJMESA-N 1 0 378.557 3.823 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000877651802 893742896 /nfs/dbraw/zinc/74/28/96/893742896.db2.gz LLGMKWQYLSQSNX-IRXDYDNUSA-N 1 0 377.529 3.607 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877757616 893795637 /nfs/dbraw/zinc/79/56/37/893795637.db2.gz OTFNFVGJAUYXPP-SJORKVTESA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000877827149 893836860 /nfs/dbraw/zinc/83/68/60/893836860.db2.gz UOXWLWDWDVMAGW-QGZVFWFLSA-N 1 0 385.508 3.810 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(C)(C)CC#N)CC1 ZINC000459607450 893896891 /nfs/dbraw/zinc/89/68/91/893896891.db2.gz FPHYMPLZQVJONV-UHFFFAOYSA-N 1 0 378.904 3.874 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459637179 893952028 /nfs/dbraw/zinc/95/20/28/893952028.db2.gz IDJTXGIANXWMML-PBHICJAKSA-N 1 0 395.425 3.566 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000126958350 894073946 /nfs/dbraw/zinc/07/39/46/894073946.db2.gz SKIJWYBHIUTFFX-NRFANRHFSA-N 1 0 388.467 3.811 20 30 GHEDRO C[C@@H](C#N)CN(Cc1cc(C#N)cc(CN(C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298996 894175392 /nfs/dbraw/zinc/17/53/92/894175392.db2.gz MHLKSGPTSMLNQM-HDICACEKSA-N 1 0 375.520 3.806 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000537053241 894273734 /nfs/dbraw/zinc/27/37/34/894273734.db2.gz IHFRCEDPQBTKTJ-IUKKYPGJSA-N 1 0 394.519 3.754 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 ZINC000022687608 894278233 /nfs/dbraw/zinc/27/82/33/894278233.db2.gz PAKOXWZVCSGKFF-UHFFFAOYSA-O 1 0 387.475 3.846 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000537075000 894295216 /nfs/dbraw/zinc/29/52/16/894295216.db2.gz CXZPDEIOGNKSMQ-IFXJQAMLSA-N 1 0 392.341 3.888 20 30 GHEDRO N#CC1(CC(=O)O[C@@H]2CCC[C@@H]2[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000815964839 894339478 /nfs/dbraw/zinc/33/94/78/894339478.db2.gz UCBJFLLHOJDDGD-RBUKOAKNSA-N 1 0 387.911 3.620 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCC(OC4CCCC4)CC3)C2=O)cc1 ZINC000563934798 894348046 /nfs/dbraw/zinc/34/80/46/894348046.db2.gz HDSXVVVJIYDOBY-FQUBMZHMSA-N 1 0 381.520 3.914 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564005150 894439379 /nfs/dbraw/zinc/43/93/79/894439379.db2.gz BNXQAAMZDIUWDL-HXUWFJFHSA-N 1 0 388.519 3.545 20 30 GHEDRO COc1ccccc1O[C@@H]1CCC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878610882 894440244 /nfs/dbraw/zinc/44/02/44/894440244.db2.gz GNINMGZUGMSXMO-QPPBQGQZSA-N 1 0 392.499 3.979 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000564091752 894581319 /nfs/dbraw/zinc/58/13/19/894581319.db2.gz CMTUMWIJLYCBLT-RBUKOAKNSA-N 1 0 378.369 3.972 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000774884522 913883509 /nfs/dbraw/zinc/88/35/09/913883509.db2.gz QSYUVJZJANFOOD-UHFFFAOYSA-N 1 0 379.485 3.518 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)nc1 ZINC000879026431 894791921 /nfs/dbraw/zinc/79/19/21/894791921.db2.gz HCEFWKGZIHHIPU-LJQANCHMSA-N 1 0 386.293 3.629 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456469 894821691 /nfs/dbraw/zinc/82/16/91/894821691.db2.gz IXWSDQHWPPUAQY-WFXMLNOXSA-N 1 0 378.472 3.779 20 30 GHEDRO C[NH+](C)CCN(Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000564315812 894854721 /nfs/dbraw/zinc/85/47/21/894854721.db2.gz ZUUUEFYRERFSHR-UHFFFAOYSA-N 1 0 391.494 3.506 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000879136145 894857131 /nfs/dbraw/zinc/85/71/31/894857131.db2.gz JILAOLXJMWVQGK-NLWGTHIKSA-N 1 0 392.503 3.867 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC2(CCSCC2)CC1 ZINC000879199890 894899872 /nfs/dbraw/zinc/89/98/72/894899872.db2.gz BFQSXPAVYFBDIM-KRWDZBQOSA-N 1 0 392.528 3.833 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000564873114 895291704 /nfs/dbraw/zinc/29/17/04/895291704.db2.gz JRSQIGKVGYTFQZ-UHFFFAOYSA-N 1 0 398.894 3.915 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(-c2ccnn2C)c1 ZINC000565091558 895384750 /nfs/dbraw/zinc/38/47/50/895384750.db2.gz CLVSLBYVKWFGJX-UHFFFAOYSA-N 1 0 389.478 3.729 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc4cc(O)ccc43)CC2)cc1 ZINC001135836874 895387114 /nfs/dbraw/zinc/38/71/14/895387114.db2.gz ZOAKYAKNLYQNIY-UHFFFAOYSA-N 1 0 385.467 3.765 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817280787 895433497 /nfs/dbraw/zinc/43/34/97/895433497.db2.gz CZYCQKWKPSUBLC-UKRRQHHQSA-N 1 0 388.393 3.888 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880474998 895723501 /nfs/dbraw/zinc/72/35/01/895723501.db2.gz QVDOUIZMVGHQIA-KRWDZBQOSA-N 1 0 386.565 3.580 20 30 GHEDRO C=CCCC[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC001136101937 896005002 /nfs/dbraw/zinc/00/50/02/896005002.db2.gz BPSQQWCKCUQGAJ-JOCHJYFZSA-N 1 0 392.547 3.590 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000566067002 896087915 /nfs/dbraw/zinc/08/79/15/896087915.db2.gz YXJIYRFLHNELLC-HNNXBMFYSA-N 1 0 377.370 3.804 20 30 GHEDRO CC(C)CCN(CCC#N)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881130530 896175862 /nfs/dbraw/zinc/17/58/62/896175862.db2.gz BRNYKJPFWBMYOQ-OAQYLSRUSA-N 1 0 383.540 3.765 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000881152404 896201584 /nfs/dbraw/zinc/20/15/84/896201584.db2.gz HNCXVLQAIRJLRP-QHCPKHFHSA-N 1 0 389.503 3.668 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC000818609419 896235288 /nfs/dbraw/zinc/23/52/88/896235288.db2.gz VDJAHUWDIMMTTH-FQEVSTJZSA-N 1 0 388.483 3.870 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000819124429 896424015 /nfs/dbraw/zinc/42/40/15/896424015.db2.gz VFVJDKBIWJFFCJ-UONOGXRCSA-N 1 0 385.986 3.582 20 30 GHEDRO COc1cccc2cc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)oc21 ZINC000778548956 896507409 /nfs/dbraw/zinc/50/74/09/896507409.db2.gz OKEDJGLTGREHSC-IBGZPJMESA-N 1 0 375.428 3.598 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+](C)[C@@H](C)CC)s1 ZINC000819230889 896521413 /nfs/dbraw/zinc/52/14/13/896521413.db2.gz NGXPNGAUYSPUSZ-LBPRGKRZSA-N 1 0 375.991 3.685 20 30 GHEDRO CCn1c(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)nc2cc(Br)ccc21 ZINC000819258929 896547064 /nfs/dbraw/zinc/54/70/64/896547064.db2.gz DZEWNOUWOCXLGV-SFHVURJKSA-N 1 0 399.292 3.514 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000819349878 896593444 /nfs/dbraw/zinc/59/34/44/896593444.db2.gz LZOKQSDCRCDDDY-IAGOWNOFSA-N 1 0 375.241 3.770 20 30 GHEDRO C=CCC1(C(=O)NCc2ccc(CN3CC[NH+](CC)CC3)cc2)CCCCC1 ZINC001136232100 896804037 /nfs/dbraw/zinc/80/40/37/896804037.db2.gz VXHGLJXEPKTXSG-UHFFFAOYSA-N 1 0 383.580 3.967 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000819736951 896961269 /nfs/dbraw/zinc/96/12/69/896961269.db2.gz RDFWETSTFWNIBA-ADYSOMBNSA-N 1 0 377.488 3.731 20 30 GHEDRO Cc1ccc(-c2csc3ncnc(N=NC4CC[NH+](CCO)CC4)c23)cc1 ZINC000819803834 897009135 /nfs/dbraw/zinc/00/91/35/897009135.db2.gz XZKHTKVEOMRHOY-UHFFFAOYSA-N 1 0 381.505 3.523 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3ccccc3[nH]c1=O)[C@H]2CC ZINC001137182894 897219546 /nfs/dbraw/zinc/21/95/46/897219546.db2.gz HGFCRBCZAWPNRV-REWPJTCUSA-N 1 0 379.504 3.862 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000567689377 897339575 /nfs/dbraw/zinc/33/95/75/897339575.db2.gz JCPVCAPDUGGHDF-YKSBVNFPSA-N 1 0 394.559 3.970 20 30 GHEDRO N#CC1(C[NH2+]C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CCC1 ZINC000567694495 897342142 /nfs/dbraw/zinc/34/21/42/897342142.db2.gz UULSIJPWEQJAFF-HXUWFJFHSA-N 1 0 386.442 3.715 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]([C@H]2CCOC2)C1 ZINC000883222760 897382739 /nfs/dbraw/zinc/38/27/39/897382739.db2.gz ZTCQMECVPOMJOF-RCCFBDPRSA-N 1 0 379.545 3.568 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000567763117 897384719 /nfs/dbraw/zinc/38/47/19/897384719.db2.gz NZWQSGOTBITDRL-CVDCTZTESA-N 1 0 390.531 3.853 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1)[C@H]1CCCO1 ZINC000883227812 897387971 /nfs/dbraw/zinc/38/79/71/897387971.db2.gz YYRLMKNCUPBJPW-DHIUTWEWSA-N 1 0 385.552 3.713 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000568040117 897552006 /nfs/dbraw/zinc/55/20/06/897552006.db2.gz AQMZKBDCYGXERE-JPYJTQIMSA-N 1 0 388.515 3.993 20 30 GHEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000883399198 897561552 /nfs/dbraw/zinc/56/15/52/897561552.db2.gz GTPQYVMQRZCBOB-JSGCOSHPSA-N 1 0 390.293 3.686 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@H+]2CCc2ccc(Cl)cc2Cl)C1=O ZINC001276325127 914186466 /nfs/dbraw/zinc/18/64/66/914186466.db2.gz WXPRNGREKBCFPI-IBGZPJMESA-N 1 0 380.319 3.907 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000883589116 897738274 /nfs/dbraw/zinc/73/82/74/897738274.db2.gz YFUJHFALVFSOTH-YUSALJHKSA-N 1 0 387.299 3.860 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC000821342254 897845200 /nfs/dbraw/zinc/84/52/00/897845200.db2.gz MFFRTJFPOLZWBB-SFTDATJTSA-N 1 0 393.487 3.847 20 30 GHEDRO COCC#CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C ZINC001136446120 897888753 /nfs/dbraw/zinc/88/87/53/897888753.db2.gz WPCYWKMQUHBOOP-SFHVURJKSA-N 1 0 385.335 3.558 20 30 GHEDRO N#CC[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC001136529900 898176303 /nfs/dbraw/zinc/17/63/03/898176303.db2.gz SSBXZBXJMSLZKD-QHCPKHFHSA-N 1 0 375.516 3.851 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000106038673 898248285 /nfs/dbraw/zinc/24/82/85/898248285.db2.gz TWYAQQWINUABIY-UHFFFAOYSA-N 1 0 386.927 3.664 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000569017011 898277649 /nfs/dbraw/zinc/27/76/49/898277649.db2.gz ILIYORPTGDGHER-UHFFFAOYSA-N 1 0 391.393 3.856 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N ZINC000805793891 898488797 /nfs/dbraw/zinc/48/87/97/898488797.db2.gz ONHVMYAJZWWXFG-JOCHJYFZSA-N 1 0 385.508 3.790 20 30 GHEDRO C=CCNC(=O)c1cccc(-c2noc(CC[C@@H]([NH3+])CC3CCCCC3)n2)c1 ZINC000822771258 898640377 /nfs/dbraw/zinc/64/03/77/898640377.db2.gz SKZATJDSXSCJMD-LJQANCHMSA-N 1 0 382.508 3.883 20 30 GHEDRO CC[NH+]1CCC(n2nccc2NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000110691321 898741894 /nfs/dbraw/zinc/74/18/94/898741894.db2.gz GJUCDAUWRNQAFG-UHFFFAOYSA-N 1 0 395.507 3.599 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2C[C@H](C)O)c1=S ZINC000155460268 898804167 /nfs/dbraw/zinc/80/41/67/898804167.db2.gz JXPMCYPNZRYVNF-WMLDXEAASA-N 1 0 376.501 3.599 20 30 GHEDRO CC(C)(C)c1ccc([C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C(F)(F)F)cc1 ZINC000884088277 898837123 /nfs/dbraw/zinc/83/71/23/898837123.db2.gz FFKOTROVXYNTCA-TWODHEICSA-N 1 0 393.453 3.843 20 30 GHEDRO CCN(C(=O)c1ccc(C#N)c(OC)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000823125799 898862172 /nfs/dbraw/zinc/86/21/72/898862172.db2.gz PQXPCHVAHCBZJX-DYESRHJHSA-N 1 0 377.488 3.864 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)cc2)ccn1 ZINC000289686571 914296547 /nfs/dbraw/zinc/29/65/47/914296547.db2.gz FVJYWIKIMFBNOL-UHFFFAOYSA-N 1 0 389.459 3.614 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000823284693 898954961 /nfs/dbraw/zinc/95/49/61/898954961.db2.gz SNHTZXXGVRDTJL-GOSISDBHSA-N 1 0 379.504 3.651 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331646636 899052808 /nfs/dbraw/zinc/05/28/08/899052808.db2.gz VXKCEHAZVUNSHL-MPAQAYSTSA-N 1 0 383.536 3.583 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC000823887572 899306622 /nfs/dbraw/zinc/30/66/22/899306622.db2.gz KDWSGKAUJJZUHP-JBYIUTFZSA-N 1 0 385.508 3.714 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000824012703 899331399 /nfs/dbraw/zinc/33/13/99/899331399.db2.gz LPCWWYNPBIXARW-SFHVURJKSA-N 1 0 391.519 3.925 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117350705 899366937 /nfs/dbraw/zinc/36/69/37/899366937.db2.gz VFPKVZKPSCKBKV-UHFFFAOYSA-N 1 0 379.304 3.704 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)s1 ZINC000571129554 899754227 /nfs/dbraw/zinc/75/42/27/899754227.db2.gz JPOIFGDTMFAXRW-GXTWGEPZSA-N 1 0 395.322 3.667 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(OC3CCCC3)CC1)CCC2 ZINC000121124830 899957128 /nfs/dbraw/zinc/95/71/28/899957128.db2.gz HACLETCTLOPCJA-UHFFFAOYSA-N 1 0 387.549 3.861 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 ZINC000825118973 899991051 /nfs/dbraw/zinc/99/10/51/899991051.db2.gz ZWUIALNJADAPJE-NJYVYQBISA-N 1 0 381.524 3.520 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc(OC)c1O ZINC000121370225 900012962 /nfs/dbraw/zinc/01/29/62/900012962.db2.gz UUXQNFZEAGSWKH-UHFFFAOYSA-N 1 0 396.487 3.686 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCC1(C)C ZINC000333204327 900033611 /nfs/dbraw/zinc/03/36/11/900033611.db2.gz OIMLDOKJQMAYMA-AABGKKOBSA-N 1 0 377.573 3.531 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCC1(C)C ZINC000333204334 900033663 /nfs/dbraw/zinc/03/36/63/900033663.db2.gz OIMLDOKJQMAYMA-UFYCRDLUSA-N 1 0 377.573 3.531 20 30 GHEDRO C=C(CC)C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000825221549 900033953 /nfs/dbraw/zinc/03/39/53/900033953.db2.gz RCDXHSYGJGVPIA-UHFFFAOYSA-N 1 0 392.384 3.642 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)cc1 ZINC000134474502 900073202 /nfs/dbraw/zinc/07/32/02/900073202.db2.gz ZTXUGHOVUKRNRD-UHFFFAOYSA-N 1 0 379.291 3.907 20 30 GHEDRO CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884429365 900074515 /nfs/dbraw/zinc/07/45/15/900074515.db2.gz GUPCMUJHOANJST-NGEICVOHSA-N 1 0 377.891 3.603 20 30 GHEDRO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001137043236 900191226 /nfs/dbraw/zinc/19/12/26/900191226.db2.gz NZGIWTHBHXZGSM-LJQANCHMSA-N 1 0 375.516 3.959 20 30 GHEDRO CC(C)N1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(F)c(F)c1 ZINC000572505228 900206492 /nfs/dbraw/zinc/20/64/92/900206492.db2.gz YKZMKADWIAIHOS-IFMALSPDSA-N 1 0 395.457 3.798 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000135323111 900223597 /nfs/dbraw/zinc/22/35/97/900223597.db2.gz UTNOKPHRODMERR-UHFFFAOYSA-N 1 0 376.476 3.704 20 30 GHEDRO COc1ccc(OC)c(CN2CCN(Cc3c(Cl)cccc3C#N)CC2)c1 ZINC001143722662 900440661 /nfs/dbraw/zinc/44/06/61/900440661.db2.gz FCSBIHBUEMNYHM-UHFFFAOYSA-N 1 0 385.895 3.547 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(N3CCC(OCC[NH+]4CCCC4)CC3)nc21 ZINC000573393939 900492140 /nfs/dbraw/zinc/49/21/40/900492140.db2.gz HTTQENRFTNDKPW-UHFFFAOYSA-N 1 0 382.552 3.648 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000844193562 900573881 /nfs/dbraw/zinc/57/38/81/900573881.db2.gz HODJQFXXCJJZJW-JCPGYPOLSA-N 1 0 398.466 3.546 20 30 GHEDRO CCOc1c(Cl)ccc(CN2CCCN(c3ccc(C#N)cn3)CC2)c1F ZINC001143831237 900593312 /nfs/dbraw/zinc/59/33/12/900593312.db2.gz JAUTWRFCGMEMGQ-UHFFFAOYSA-N 1 0 388.874 3.857 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000844308143 900695974 /nfs/dbraw/zinc/69/59/74/900695974.db2.gz AMZMSRGYOCRDHM-NVXWUHKLSA-N 1 0 388.468 3.592 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000844354473 900757930 /nfs/dbraw/zinc/75/79/30/900757930.db2.gz KHDUBTOYOSYIBO-RCCFBDPRSA-N 1 0 379.545 3.711 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCC2)ccc1OCc1ccncc1 ZINC000886107511 900788923 /nfs/dbraw/zinc/78/89/23/900788923.db2.gz STHOUSWOIHXZIR-XLIONFOSSA-N 1 0 395.503 3.765 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000574193988 900814992 /nfs/dbraw/zinc/81/49/92/900814992.db2.gz UQIJNEBIDMVJSW-JLHGSKIFSA-N 1 0 380.492 3.967 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000574441302 900894717 /nfs/dbraw/zinc/89/47/17/900894717.db2.gz HEOYCRPFALPBND-TZIWHRDSSA-N 1 0 382.895 3.575 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(OC(F)(F)F)ccc1OC)CC2 ZINC001144001280 900911286 /nfs/dbraw/zinc/91/12/86/900911286.db2.gz GAEHEJFGXKVHHT-UHFFFAOYSA-N 1 0 398.425 3.737 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)Nc3ccc(Cl)nc3)CC2)c1 ZINC000844596911 901061391 /nfs/dbraw/zinc/06/13/91/901061391.db2.gz QGFMGBGTEKNJTF-UHFFFAOYSA-N 1 0 385.924 3.558 20 30 GHEDRO C[C@H](Cc1ccccc1)NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844596655 901062903 /nfs/dbraw/zinc/06/29/03/901062903.db2.gz MCNUISNLWOPBIF-GOSISDBHSA-N 1 0 392.572 3.618 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(C(F)(F)F)c1 ZINC000575167871 901151060 /nfs/dbraw/zinc/15/10/60/901151060.db2.gz WNCYKQBSELWDGT-ZDUSSCGKSA-N 1 0 395.331 3.750 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cn3)C[C@@H]2c2ccccc21 ZINC001144153623 901160146 /nfs/dbraw/zinc/16/01/46/901160146.db2.gz HMQQJFAECWIQNF-XLIONFOSSA-N 1 0 390.487 3.924 20 30 GHEDRO C#CCN(C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1)C1CC[NH+](C)CC1 ZINC000886587297 901180224 /nfs/dbraw/zinc/18/02/24/901180224.db2.gz QPYIHMFKMQRVQP-UHFFFAOYSA-N 1 0 392.927 3.553 20 30 GHEDRO COc1ccc(-c2ccnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000575320124 901189002 /nfs/dbraw/zinc/18/90/02/901189002.db2.gz OTECHZJIQPCWSJ-UHFFFAOYSA-N 1 0 399.498 3.736 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979115 901370702 /nfs/dbraw/zinc/37/07/02/901370702.db2.gz ABRNPAKQYAQYLQ-INIZCTEOSA-N 1 0 387.549 3.694 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC001186469926 914558689 /nfs/dbraw/zinc/55/86/89/914558689.db2.gz KIJKHAGDYYYFDI-QHCPKHFHSA-N 1 0 388.515 3.899 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000576494422 902055538 /nfs/dbraw/zinc/05/55/38/902055538.db2.gz HAUXNXJXVHJBIY-UTKZUKDTSA-N 1 0 379.529 3.571 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001144405200 902062625 /nfs/dbraw/zinc/06/26/25/902062625.db2.gz HMSJLVCQGKUTSM-UHFFFAOYSA-N 1 0 399.498 3.590 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001144411249 902072434 /nfs/dbraw/zinc/07/24/34/902072434.db2.gz ABWQPDWMJNZLEU-YLJYHZDGSA-N 1 0 375.900 3.790 20 30 GHEDRO C[C@]1(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@@]1(F)Cl ZINC000845405967 902109045 /nfs/dbraw/zinc/10/90/45/902109045.db2.gz UIQUTMVZKPFYTC-PMACEKPBSA-N 1 0 392.906 3.527 20 30 GHEDRO [NH2+]=C(Nc1cnc2cccc(Br)n12)c1ccc2cc(O)ccc2c1 ZINC001171182028 902137052 /nfs/dbraw/zinc/13/70/52/902137052.db2.gz HDUJCHSGOBDCIR-UHFFFAOYSA-N 1 0 381.233 3.993 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001171186727 902195935 /nfs/dbraw/zinc/19/59/35/902195935.db2.gz YWMCHHDOMSXHOY-AYOQOUSVSA-N 1 0 375.488 3.674 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](O)CC23CCC3)sc2c1CCCCC2 ZINC000333586732 902207689 /nfs/dbraw/zinc/20/76/89/902207689.db2.gz USNAMGHTMDBCGU-OAHLLOKOSA-N 1 0 387.549 3.597 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(OC)c3)C2)C1 ZINC001144478730 902242381 /nfs/dbraw/zinc/24/23/81/902242381.db2.gz MWJLCEISLMRXOK-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO C=C(C)CONC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000845598884 902256045 /nfs/dbraw/zinc/25/60/45/902256045.db2.gz BPZURQIEMSKJEN-WBVHZDCISA-N 1 0 385.430 3.895 20 30 GHEDRO COC(=O)c1ccc(CN2CCC([NH2+][C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171196370 902311728 /nfs/dbraw/zinc/31/17/28/902311728.db2.gz ZXIZELWKRMVFLC-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171204101 902567257 /nfs/dbraw/zinc/56/72/57/902567257.db2.gz TWOICNPCGMOVKH-IBGZPJMESA-N 1 0 381.520 3.990 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)cc1 ZINC000846001250 902582412 /nfs/dbraw/zinc/58/24/12/902582412.db2.gz ZTHPXSGAAGPROS-FDFHNCONSA-N 1 0 398.547 3.952 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000577204465 902587859 /nfs/dbraw/zinc/58/78/59/902587859.db2.gz BLZGBQCBZVRMPZ-UHFFFAOYSA-N 1 0 398.429 3.839 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001171211162 902645316 /nfs/dbraw/zinc/64/53/16/902645316.db2.gz BQRKVPVGHCNGSY-HYBUGGRVSA-N 1 0 375.516 3.861 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001171216015 902720852 /nfs/dbraw/zinc/72/08/52/902720852.db2.gz FVGAVWOLXNDEHP-DHJUGAMNSA-N 1 0 395.478 3.726 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001171217144 902754337 /nfs/dbraw/zinc/75/43/37/902754337.db2.gz NZOAUUUNMOFEOW-FJTGNWTPSA-N 1 0 377.488 3.585 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@@H+]([C@H](C)Cc4cccc(C#N)c4)C3)C2=O)c1 ZINC001171217356 902756140 /nfs/dbraw/zinc/75/61/40/902756140.db2.gz OUMCWIKRAUGUHY-NLFFAJNJSA-N 1 0 387.527 3.922 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(OC)c1 ZINC000577422916 902758765 /nfs/dbraw/zinc/75/87/65/902758765.db2.gz USOTZMALSITPKM-IRLDBZIGSA-N 1 0 399.506 3.867 20 30 GHEDRO Cn1cc(C[NH2+]CC2CCC(C#N)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000577462023 902789448 /nfs/dbraw/zinc/78/94/48/902789448.db2.gz KSTQDLDNZGVLJY-UHFFFAOYSA-N 1 0 380.492 3.668 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)CCOCC1 ZINC000600723258 902844479 /nfs/dbraw/zinc/84/44/79/902844479.db2.gz KIQDBGDMBMGASJ-GOSISDBHSA-N 1 0 396.453 3.788 20 30 GHEDRO COC(=O)c1ccc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(C#N)n1 ZINC000577528595 902851431 /nfs/dbraw/zinc/85/14/31/902851431.db2.gz ILVMILFMVRAYBH-LJQANCHMSA-N 1 0 384.867 3.642 20 30 GHEDRO CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000600733667 902856433 /nfs/dbraw/zinc/85/64/33/902856433.db2.gz LNJUXEIYZHJGAL-KRWDZBQOSA-N 1 0 384.442 3.644 20 30 GHEDRO CC[N@H+](Cc1ccc(C#N)cn1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000577646082 902999847 /nfs/dbraw/zinc/99/98/47/902999847.db2.gz DVSUEEPPJFTROR-UHFFFAOYSA-N 1 0 378.524 3.666 20 30 GHEDRO CSC1(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[NH+](C)CC1 ZINC000577671470 903030553 /nfs/dbraw/zinc/03/05/53/903030553.db2.gz ILZJZCPTCMDYOL-UHFFFAOYSA-N 1 0 394.544 3.859 20 30 GHEDRO C[NH+]1CCC(ONC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000846646898 903111203 /nfs/dbraw/zinc/11/12/03/903111203.db2.gz IORULZYLNVNBBA-UHFFFAOYSA-N 1 0 385.851 3.760 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000132383849 903248353 /nfs/dbraw/zinc/24/83/53/903248353.db2.gz JLHXNSPSXSZAOW-AZUAARDMSA-N 1 0 377.488 3.714 20 30 GHEDRO CC(C)n1c(Sc2ncc(C#N)c3ccsc32)nnc1[C@@H]1CCC[NH2+]C1 ZINC000601118649 903354633 /nfs/dbraw/zinc/35/46/33/903354633.db2.gz OVOYGOZKHDXWHI-GFCCVEGCSA-N 1 0 384.534 3.959 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]CCC2(O)CCN(c3ccccc3)CC2)c1 ZINC000601149487 903394200 /nfs/dbraw/zinc/39/42/00/903394200.db2.gz MMXHUWKACGXRBI-UHFFFAOYSA-N 1 0 393.531 3.880 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290521592 914716347 /nfs/dbraw/zinc/71/63/47/914716347.db2.gz QADVFZKGOMUYPI-UHFFFAOYSA-N 1 0 391.523 3.530 20 30 GHEDRO COc1ccc(-c2nccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC001171274545 903468281 /nfs/dbraw/zinc/46/82/81/903468281.db2.gz CDZLCRJANCTLNH-UHFFFAOYSA-N 1 0 399.498 3.544 20 30 GHEDRO CCOc1nnc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC001171275445 903475188 /nfs/dbraw/zinc/47/51/88/903475188.db2.gz VVFGLLCOVPXILI-UHFFFAOYSA-N 1 0 387.487 3.999 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3c(F)cccc3C#N)cc[nH+]2)CC1 ZINC001212836834 903509839 /nfs/dbraw/zinc/50/98/39/903509839.db2.gz HHVJJPOXVNCYIO-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO N#Cc1c(NCc2ccccc2N2CC[NH2+]CC2)nc(Cl)cc1C(F)(F)F ZINC001171282099 903586852 /nfs/dbraw/zinc/58/68/52/903586852.db2.gz AQQZXHJGTAQCCU-UHFFFAOYSA-N 1 0 395.816 3.647 20 30 GHEDRO CN(C(=O)NCc1ccc(CC#N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000578234120 903640837 /nfs/dbraw/zinc/64/08/37/903640837.db2.gz MMFIQXUOZJPWPW-QFIPXVFZSA-N 1 0 376.504 3.559 20 30 GHEDRO COc1cc[nH+]c(N2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)CC2)c1 ZINC000578341620 903747259 /nfs/dbraw/zinc/74/72/59/903747259.db2.gz VBDMJKFWIURQCP-UHFFFAOYSA-N 1 0 393.878 3.799 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@H+](C)CCCC(=O)Nc2c(C)cccc2C)c1 ZINC000136605668 903796290 /nfs/dbraw/zinc/79/62/90/903796290.db2.gz PGZGPMCIQAAENC-UHFFFAOYSA-N 1 0 377.488 3.574 20 30 GHEDRO Cc1nnc2n1C[C@H](C[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1)CC2 ZINC000265319104 903802347 /nfs/dbraw/zinc/80/23/47/903802347.db2.gz NHEMJCXPLXFKND-FQEVSTJZSA-N 1 0 388.519 3.524 20 30 GHEDRO O=C(c1cc(F)ccc1F)C(C(=S)NC(C1CC1)C1CC1)[n+]1ccccc1 ZINC000265331656 903811750 /nfs/dbraw/zinc/81/17/50/903811750.db2.gz GPGMKDPCNLYFCW-UHFFFAOYSA-O 1 0 387.475 3.969 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000772983113 903853485 /nfs/dbraw/zinc/85/34/85/903853485.db2.gz JEJNTKFXTRGVPU-DNVCBOLYSA-N 1 0 387.505 3.590 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)Cc2ccccc2C1 ZINC001147822467 903884621 /nfs/dbraw/zinc/88/46/21/903884621.db2.gz LVFMXZVPXXBJSO-UHFFFAOYSA-N 1 0 388.298 3.694 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000772985150 903947991 /nfs/dbraw/zinc/94/79/91/903947991.db2.gz STMSAJHUEHEVEB-JMUQELJHSA-N 1 0 378.520 3.763 20 30 GHEDRO C=CCC1(O)CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000887938237 904013797 /nfs/dbraw/zinc/01/37/97/904013797.db2.gz FBWYDWZOFPGKGR-UHFFFAOYSA-N 1 0 385.552 3.896 20 30 GHEDRO C=CCn1c(-c2cnccn2)nn(CN2C[C@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000159865734 904247322 /nfs/dbraw/zinc/24/73/22/904247322.db2.gz SNNSIISOBFBWJL-FUHWJXTLSA-N 1 0 392.532 3.893 20 30 GHEDRO CC(C)n1cc(C2=CCC[N@@H+](C3CCN(c4ccc(C#N)cc4)CC3)CC2)nn1 ZINC000579078159 904332173 /nfs/dbraw/zinc/33/21/73/904332173.db2.gz CFWVRXARVAUDDC-UHFFFAOYSA-N 1 0 390.535 3.879 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1cccc2nc([C@@H]3C[NH2+]CCO3)cn21 ZINC001171376415 904404615 /nfs/dbraw/zinc/40/46/15/904404615.db2.gz WCMQFWGRSHCRPY-JXFKEZNVSA-N 1 0 378.476 3.733 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000773162396 904505683 /nfs/dbraw/zinc/50/56/83/904505683.db2.gz QAHBHPUCGRCNQI-HXUWFJFHSA-N 1 0 378.545 3.674 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000889229943 904506302 /nfs/dbraw/zinc/50/63/02/904506302.db2.gz LQTXRUQCEAUYTE-RDTXWAMCSA-N 1 0 387.846 3.560 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171401464 904507382 /nfs/dbraw/zinc/50/73/82/904507382.db2.gz WHWNAILMSOMWAF-LBPRGKRZSA-N 1 0 395.806 3.526 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000579424073 904589831 /nfs/dbraw/zinc/58/98/31/904589831.db2.gz BBLMHSVXANYVOU-KRWDZBQOSA-N 1 0 393.535 3.713 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000290839908 914839958 /nfs/dbraw/zinc/83/99/58/914839958.db2.gz YTSDFMBEYURFDE-UHFFFAOYSA-N 1 0 386.471 3.506 20 30 GHEDRO COC(=O)C1(Nc2ccc(OCCC#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171507562 904784280 /nfs/dbraw/zinc/78/42/80/904784280.db2.gz OYPHIJHEPNONCC-UHFFFAOYSA-N 1 0 393.487 3.599 20 30 GHEDRO Cc1cc(C[N@H+](Cc2c(C)cc(C#N)cc2C)C2CC2)cc(S(N)(=O)=O)c1C ZINC001171718954 904946255 /nfs/dbraw/zinc/94/62/55/904946255.db2.gz MJDIRIXAOMEBFO-UHFFFAOYSA-N 1 0 397.544 3.604 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC001171791256 905049541 /nfs/dbraw/zinc/04/95/41/905049541.db2.gz FHGFFROWQNDVLB-LJQANCHMSA-N 1 0 390.458 3.522 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000173809451 905132134 /nfs/dbraw/zinc/13/21/34/905132134.db2.gz ZSXZHODUOCIJFX-GOSISDBHSA-N 1 0 381.476 3.534 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)CC2 ZINC001171953012 905158546 /nfs/dbraw/zinc/15/85/46/905158546.db2.gz DOLYFTSJQXUCMA-UDJZJCJKSA-N 1 0 376.541 3.532 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173964777 905173633 /nfs/dbraw/zinc/17/36/33/905173633.db2.gz UOHFZHZWCBYVEQ-HOTGVXAUSA-N 1 0 396.447 3.589 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171927129 905181380 /nfs/dbraw/zinc/18/13/80/905181380.db2.gz GBYPWTUKYHKSAS-SQKGIWRMSA-N 1 0 393.568 3.961 20 30 GHEDRO C=CC[C@]1(C(=O)NC2CCC(C[NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000189691817 905252524 /nfs/dbraw/zinc/25/25/24/905252524.db2.gz LSYJKKSAIWIPOZ-RWWKDMOOSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCOC(=O)N1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172087159 905302275 /nfs/dbraw/zinc/30/22/75/905302275.db2.gz KOCNWMIEUCQFBK-KOUNCHBCSA-N 1 0 383.536 3.512 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)CC1 ZINC000299040736 921148049 /nfs/dbraw/zinc/14/80/49/921148049.db2.gz FZTSPCGRLWYJHT-VQHVLOKHSA-N 1 0 399.535 3.581 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001172303609 905456565 /nfs/dbraw/zinc/45/65/65/905456565.db2.gz FGJQEJUGFQVUMB-DVECYGJZSA-N 1 0 388.515 3.541 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)[C@@H]3CCCO[C@H]23)cs1 ZINC001172306090 905461618 /nfs/dbraw/zinc/46/16/18/905461618.db2.gz BTAWESHADRWWNL-FJGOKHBRSA-N 1 0 397.544 3.703 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC001172308761 905465051 /nfs/dbraw/zinc/46/50/51/905465051.db2.gz ZRHXXKXPBQDJTL-KRWDZBQOSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001172311277 905469169 /nfs/dbraw/zinc/46/91/69/905469169.db2.gz AXLZKNMLIFSBSP-VQIMIIECSA-N 1 0 377.463 3.749 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001172311272 905469339 /nfs/dbraw/zinc/46/93/39/905469339.db2.gz RDTCWVJGLZNIER-AWEZNQCLSA-N 1 0 395.304 3.999 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001172313509 905471319 /nfs/dbraw/zinc/47/13/19/905471319.db2.gz YBVODLXXHAUKEU-QGZVFWFLSA-N 1 0 382.529 3.772 20 30 GHEDRO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172296475 905482286 /nfs/dbraw/zinc/48/22/86/905482286.db2.gz CLJMIPGEHFXTMI-NIDLKEISSA-N 1 0 389.543 3.905 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)CCOCC(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001172468095 905579210 /nfs/dbraw/zinc/57/92/10/905579210.db2.gz VTKPNBHMPBSSAP-FJIJXJHWSA-N 1 0 384.564 3.942 20 30 GHEDRO C[C@@H](CCCC#N)[N@H+](C1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172503760 905602236 /nfs/dbraw/zinc/60/22/36/905602236.db2.gz HAUUHGSSQXOMAQ-SFHVURJKSA-N 1 0 392.588 3.864 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001172509957 905604191 /nfs/dbraw/zinc/60/41/91/905604191.db2.gz SZVLTQAVDXTMKK-KRWDZBQOSA-N 1 0 378.561 3.522 20 30 GHEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2C)C1 ZINC001172606138 905665613 /nfs/dbraw/zinc/66/56/13/905665613.db2.gz QCHKQTUJIHLPNL-YQVWRLOYSA-N 1 0 378.488 3.711 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172681375 905762088 /nfs/dbraw/zinc/76/20/88/905762088.db2.gz LCODRSMSIJJURT-FGZHOGPDSA-N 1 0 389.499 3.593 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCC[C@@H](C(=O)OC)CC3)C2)CC1 ZINC001172785615 905826511 /nfs/dbraw/zinc/82/65/11/905826511.db2.gz ZAFKKBAZASSXGY-RTBURBONSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCC[C@@H](C(=O)OC)CC1)[C@@H]2CC ZINC001172785428 905826910 /nfs/dbraw/zinc/82/69/10/905826910.db2.gz IQGAIPUPGQKJQZ-MOXWOTFGSA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCC[C@H](C(=O)OC)CC1)[C@@H]2CC ZINC001172785425 905826956 /nfs/dbraw/zinc/82/69/56/905826956.db2.gz IQGAIPUPGQKJQZ-JYLXEMOASA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172910797 906018775 /nfs/dbraw/zinc/01/87/75/906018775.db2.gz OGAVGZYKNPCSFP-BVSLBCMMSA-N 1 0 386.492 3.668 20 30 GHEDRO COc1ccc2c(c1)c(C[NH3+])cn2[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972498 906030749 /nfs/dbraw/zinc/03/07/49/906030749.db2.gz AOABNNNVSMUUGK-CVEARBPZSA-N 1 0 384.480 3.573 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)C[C@H]1C#N ZINC001172970640 906033057 /nfs/dbraw/zinc/03/30/57/906033057.db2.gz ISVUHBPZVDZVJK-ACRUOGEOSA-N 1 0 398.551 3.705 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2cc(CC[NH3+])c3cc(F)ccc32)C[C@H]1C#N ZINC001172971583 906033487 /nfs/dbraw/zinc/03/34/87/906033487.db2.gz QTCYCEWOLTZXFI-IRXDYDNUSA-N 1 0 386.471 3.746 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976217 906040862 /nfs/dbraw/zinc/04/08/62/906040862.db2.gz MLVNYXNGWOBOFG-QRVBRYPASA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2c3ccccc3c3c2CC[C@H]([NH3+])C3)C[C@H]1C#N ZINC001172976536 906041805 /nfs/dbraw/zinc/04/18/05/906041805.db2.gz QIUYKVQYCILUSN-ULQDDVLXSA-N 1 0 394.519 3.921 20 30 GHEDRO COc1c(F)cccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977867 906044028 /nfs/dbraw/zinc/04/40/28/906044028.db2.gz GPXAUERMCXWHOK-KFWWJZLASA-N 1 0 377.460 3.777 20 30 GHEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172977648 906044638 /nfs/dbraw/zinc/04/46/38/906044638.db2.gz DLJLOONSMVIXBD-CCKFTAQKSA-N 1 0 386.496 3.587 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173020952 906098267 /nfs/dbraw/zinc/09/82/67/906098267.db2.gz VGGDBPANEBNBPN-UHFFFAOYSA-N 1 0 386.402 3.845 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991173 906101389 /nfs/dbraw/zinc/10/13/89/906101389.db2.gz VREOUZUYJWQWHI-QRQLOZEOSA-N 1 0 387.524 3.850 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCOC[C@@H]2C2CCCCC2)C[C@H]1C#N ZINC001172993760 906105405 /nfs/dbraw/zinc/10/54/05/906105405.db2.gz PRGKKTHXAXSBNK-GBESFXJTSA-N 1 0 377.529 3.559 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2Cc3cc(OC)ccc3C[C@H]2c2ccccc2)CC1 ZINC000177476104 906141275 /nfs/dbraw/zinc/14/12/75/906141275.db2.gz WGEJRIPGAVADAI-DEOSSOPVSA-N 1 0 388.511 3.666 20 30 GHEDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633466 906184471 /nfs/dbraw/zinc/18/44/71/906184471.db2.gz ZIQFCZUXJBIULL-VGSWGCGISA-N 1 0 377.488 3.797 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001173229476 906314195 /nfs/dbraw/zinc/31/41/95/906314195.db2.gz VBNDBPLQXGOTRF-LAUBAEHRSA-N 1 0 387.480 3.636 20 30 GHEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001173212922 906329092 /nfs/dbraw/zinc/32/90/92/906329092.db2.gz CTDDZJMZNHSHHY-QGZVFWFLSA-N 1 0 378.476 3.652 20 30 GHEDRO C=CCOC1CCC([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CC1 ZINC001173320808 906369901 /nfs/dbraw/zinc/36/99/01/906369901.db2.gz DLQKRQUTVSVQAC-ICOILDSSSA-N 1 0 382.548 3.838 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)CC1 ZINC001173320713 906370113 /nfs/dbraw/zinc/37/01/13/906370113.db2.gz RTHYOHWDFWVZGF-MXXWWZHRSA-N 1 0 382.548 3.765 20 30 GHEDRO COc1cccc(CN2CCOC3(CC[NH+](C4CCC(CC#N)CC4)CC3)C2)c1 ZINC001173332802 906376210 /nfs/dbraw/zinc/37/62/10/906376210.db2.gz GIUBVJFXWTYXDP-UHFFFAOYSA-N 1 0 397.563 3.834 20 30 GHEDRO Cc1nc(CN2CCO[C@@H]3CC[N@@H+](C4CCC(CC#N)CC4)CC[C@H]32)cs1 ZINC001173335715 906380218 /nfs/dbraw/zinc/38/02/18/906380218.db2.gz WBOUJUKUAWLGFP-CGNZLSCGSA-N 1 0 388.581 3.589 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(S)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001173378812 906408883 /nfs/dbraw/zinc/40/88/83/906408883.db2.gz LYIPYBFKUVSEOY-OIISXLGYSA-N 1 0 399.597 3.849 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC001173422847 906458062 /nfs/dbraw/zinc/45/80/62/906458062.db2.gz XTFLISVERUZPOS-UHFFFAOYSA-N 1 0 388.515 3.553 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc4ccccc4cc3O)CC2)cc1 ZINC001173424771 906460294 /nfs/dbraw/zinc/46/02/94/906460294.db2.gz KMBCYYLXNLBOOE-UHFFFAOYSA-N 1 0 385.467 3.811 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCOc3cccc4ccoc43)CC2)cc1 ZINC001173427820 906463467 /nfs/dbraw/zinc/46/34/67/906463467.db2.gz COOGNGOTNOQCKQ-UHFFFAOYSA-N 1 0 389.455 3.578 20 30 GHEDRO C=CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000190977557 906498873 /nfs/dbraw/zinc/49/88/73/906498873.db2.gz QSPMEQSVBWQHOM-GOTSBHOMSA-N 1 0 378.516 3.754 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH2+]C3CCC(C)(C#N)CC3)CO2)CC1 ZINC001173586762 906545273 /nfs/dbraw/zinc/54/52/73/906545273.db2.gz FQGHXPBXOBJJHR-OHTSDLOESA-N 1 0 377.529 3.607 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC1 ZINC001173596249 906551077 /nfs/dbraw/zinc/55/10/77/906551077.db2.gz PBFBACYIXSWBLU-FQUBMZHMSA-N 1 0 380.492 3.708 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C#N)c1C ZINC000179778647 906595309 /nfs/dbraw/zinc/59/53/09/906595309.db2.gz BPASXJYBUWWJHG-KGLIPLIRSA-N 1 0 394.475 3.794 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000180064155 906679154 /nfs/dbraw/zinc/67/91/54/906679154.db2.gz RVTKYGUABAWJES-RDJZCZTQSA-N 1 0 384.505 3.998 20 30 GHEDRO O=C(NCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1)C1N=CC=CC1=O ZINC000180176986 906707548 /nfs/dbraw/zinc/70/75/48/906707548.db2.gz QXQMHSOQRREQJX-OTZFSBHDSA-N 1 0 380.275 3.561 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000181213894 906944803 /nfs/dbraw/zinc/94/48/03/906944803.db2.gz YVQWVTPMLUZTKH-AWEZNQCLSA-N 1 0 381.419 3.811 20 30 GHEDRO COC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000182106969 907135218 /nfs/dbraw/zinc/13/52/18/907135218.db2.gz CGQMJVMIUJBHOU-JOCHJYFZSA-N 1 0 385.458 3.778 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccc(CC)cc1 ZINC000299410039 921308399 /nfs/dbraw/zinc/30/83/99/921308399.db2.gz ZJAOSLXIGABXGP-UHFFFAOYSA-O 1 0 381.521 3.671 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192093950 907401352 /nfs/dbraw/zinc/40/13/52/907401352.db2.gz PSVPWSQROZXFTP-AZUAARDMSA-N 1 0 387.842 3.799 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC001175210587 907433775 /nfs/dbraw/zinc/43/37/75/907433775.db2.gz CNFBHBNHWIWERO-OAQYLSRUSA-N 1 0 396.579 3.746 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2sc(C)nc2-c2ccc(OC)cc2)CC1 ZINC000630944485 907540463 /nfs/dbraw/zinc/54/04/63/907540463.db2.gz YKRLNUJSNQEEPI-UHFFFAOYSA-N 1 0 399.560 3.826 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(Cl)ccn1 ZINC000631011900 907560986 /nfs/dbraw/zinc/56/09/86/907560986.db2.gz KTZMVZSDJZSXBT-UHFFFAOYSA-N 1 0 377.945 3.833 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3cccc(C#N)c3F)C2)O1 ZINC001175686494 907693381 /nfs/dbraw/zinc/69/33/81/907693381.db2.gz FSDSQVNNNZJILZ-JPYJTQIMSA-N 1 0 379.479 3.563 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2ccc(Cl)c(C#N)c2Cl)cc1 ZINC001175814962 907771474 /nfs/dbraw/zinc/77/14/74/907771474.db2.gz ZQGHHYMOUJTBOB-UHFFFAOYSA-N 1 0 377.275 3.900 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C)cc1 ZINC000186971140 908013664 /nfs/dbraw/zinc/01/36/64/908013664.db2.gz MLADDEJUJXKXLY-UHFFFAOYSA-O 1 0 386.497 3.908 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)cn1 ZINC001176352318 908067458 /nfs/dbraw/zinc/06/74/58/908067458.db2.gz IOWGBIWXIOBLBS-UHFFFAOYSA-N 1 0 396.882 3.866 20 30 GHEDRO COc1ccc(OCC[NH+]2CCC(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC001176577259 908183588 /nfs/dbraw/zinc/18/35/88/908183588.db2.gz CQXNVSOUEWTORR-UHFFFAOYSA-N 1 0 381.432 3.733 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000193400774 908330761 /nfs/dbraw/zinc/33/07/61/908330761.db2.gz DQTDHVWUUYMFQZ-UHFFFAOYSA-N 1 0 398.576 3.996 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000773630467 908487761 /nfs/dbraw/zinc/48/77/61/908487761.db2.gz ZTFNLOJVYJYCRA-UHFFFAOYSA-N 1 0 385.508 3.660 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC001177277431 908513395 /nfs/dbraw/zinc/51/33/95/908513395.db2.gz MEJQWMPKERJWCN-UHFFFAOYSA-N 1 0 379.382 3.995 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779768733 908631702 /nfs/dbraw/zinc/63/17/02/908631702.db2.gz XUNSTGGGYMYDEG-LJQANCHMSA-N 1 0 389.503 3.726 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000634580018 908774993 /nfs/dbraw/zinc/77/49/93/908774993.db2.gz WCFMSDKAONQGJM-UONOGXRCSA-N 1 0 385.489 3.849 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H](C#N)Cc2cccs2)CC1 ZINC001177912781 908800494 /nfs/dbraw/zinc/80/04/94/908800494.db2.gz UBTVNRPWZUZGBV-QGZVFWFLSA-N 1 0 385.508 3.692 20 30 GHEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000194743109 908918924 /nfs/dbraw/zinc/91/89/24/908918924.db2.gz VNXOPOPSKZYLLD-SFHVURJKSA-N 1 0 378.520 3.666 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCNc2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H](C)O1 ZINC000195664085 909029698 /nfs/dbraw/zinc/02/96/98/909029698.db2.gz TYCMGQFUMAOWFE-BETUJISGSA-N 1 0 376.863 3.810 20 30 GHEDRO C#CCCCCCC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000779914666 909069935 /nfs/dbraw/zinc/06/99/35/909069935.db2.gz HWBCUHNEYHBIAV-UHFFFAOYSA-N 1 0 385.552 3.714 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1 ZINC000266440936 909161920 /nfs/dbraw/zinc/16/19/20/909161920.db2.gz GPFXVZRESFSPOK-SJORKVTESA-N 1 0 381.476 3.690 20 30 GHEDRO N#CCSCCC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000266722356 909275691 /nfs/dbraw/zinc/27/56/91/909275691.db2.gz LZIHHZMYUIXVGF-UHFFFAOYSA-N 1 0 396.354 3.746 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCc2nc(-c3ccncc3)cs2)cc1 ZINC000267092153 909386438 /nfs/dbraw/zinc/38/64/38/909386438.db2.gz XFVXRUWAIZLFRA-UHFFFAOYSA-N 1 0 377.517 3.887 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc1OC ZINC001179584420 909614038 /nfs/dbraw/zinc/61/40/38/909614038.db2.gz QHLQWPZGSGWSFC-IAGOWNOFSA-N 1 0 382.957 3.583 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000795329219 909877637 /nfs/dbraw/zinc/87/76/37/909877637.db2.gz LRBUVZUPWYGAJF-QUCCMNQESA-N 1 0 377.488 3.564 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000246417591 910290024 /nfs/dbraw/zinc/29/00/24/910290024.db2.gz BWIZYFSGAGXAGW-FGZHOGPDSA-N 1 0 395.478 3.660 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)CC1 ZINC000270430871 910562256 /nfs/dbraw/zinc/56/22/56/910562256.db2.gz BPDOBLCJRPGXLC-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CC1 ZINC000270514799 910596055 /nfs/dbraw/zinc/59/60/55/910596055.db2.gz YCJFYSPDYNFSEJ-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000246992458 910844722 /nfs/dbraw/zinc/84/47/22/910844722.db2.gz PFIQELVKYHQGHU-PMACEKPBSA-N 1 0 397.592 3.564 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000091856508 911304415 /nfs/dbraw/zinc/30/44/15/911304415.db2.gz SAAQSHPQFDLMSL-WBVHZDCISA-N 1 0 398.894 3.877 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000092030938 911376403 /nfs/dbraw/zinc/37/64/03/911376403.db2.gz PBZURUZOJTWGAX-MRXNPFEDSA-N 1 0 396.466 3.903 20 30 GHEDRO C#CC(C)(C)C(=O)Nc1cc(C(=O)OCC[NH+](CC)CC)ccc1OCCC ZINC001182635708 911912818 /nfs/dbraw/zinc/91/28/18/911912818.db2.gz IQDUSCBRUXEGER-UHFFFAOYSA-N 1 0 388.508 3.572 20 30 GHEDRO C[C@@H](C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC001182797408 912029167 /nfs/dbraw/zinc/02/91/67/912029167.db2.gz DHHRUFHVTBCNDW-LJQANCHMSA-N 1 0 375.516 3.733 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248415780 912069005 /nfs/dbraw/zinc/06/90/05/912069005.db2.gz OOOGPTRCWQYIKA-ZHALLVOQSA-N 1 0 378.476 3.762 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(C)c1Br)CC2 ZINC001275004665 912103576 /nfs/dbraw/zinc/10/35/76/912103576.db2.gz AZIHJMHGEGESCQ-MRXNPFEDSA-N 1 0 377.326 3.662 20 30 GHEDRO N#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000303544551 914906402 /nfs/dbraw/zinc/90/64/02/914906402.db2.gz IOMUVDXRFBHKSB-SFHVURJKSA-N 1 0 388.393 3.973 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291160556 915013096 /nfs/dbraw/zinc/01/30/96/915013096.db2.gz ILSTUPXSFMRZNU-SJORKVTESA-N 1 0 378.476 3.920 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000303773194 915120792 /nfs/dbraw/zinc/12/07/92/915120792.db2.gz FFTAUBUKXDEKJA-SCLBCKFNSA-N 1 0 397.445 3.500 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)c1cccc(Br)c1 ZINC000796379670 915278818 /nfs/dbraw/zinc/27/88/18/915278818.db2.gz DQRWNUABSVFNQP-SFHVURJKSA-N 1 0 380.282 3.646 20 30 GHEDRO [NH2+]=C(NCc1ccc(-n2ccnc2)c(F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303881820 915294890 /nfs/dbraw/zinc/29/48/90/915294890.db2.gz LDNMESNKIQJNBF-UHFFFAOYSA-N 1 0 393.344 3.837 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1ccnc(-n2cccn2)c1)c1ccc(Cl)cc1Cl ZINC000303887460 915298129 /nfs/dbraw/zinc/29/81/29/915298129.db2.gz KWNMDALMCWJVRC-GFCCVEGCSA-N 1 0 389.290 3.740 20 30 GHEDRO COc1cc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)ccc1OCCO ZINC000303892997 915300635 /nfs/dbraw/zinc/30/06/35/915300635.db2.gz NYPADVZPOWXJPR-UHFFFAOYSA-N 1 0 383.492 3.520 20 30 GHEDRO CCNC(=O)c1cccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303894296 915301518 /nfs/dbraw/zinc/30/15/18/915301518.db2.gz SLBYSWFBIGZOSS-GFCCVEGCSA-N 1 0 393.318 3.909 20 30 GHEDRO Cc1cccc([C@@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)N2CCOCC2)c1 ZINC000303897487 915302255 /nfs/dbraw/zinc/30/22/55/915302255.db2.gz QOEAJIMORBJPKP-JOCHJYFZSA-N 1 0 380.536 3.919 20 30 GHEDRO [NH2+]=C(NCc1nc(-c2ccccc2)c[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303902177 915305799 /nfs/dbraw/zinc/30/57/99/915305799.db2.gz XRNVEYVMZXOGDD-UHFFFAOYSA-N 1 0 375.354 3.902 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000303970278 915342543 /nfs/dbraw/zinc/34/25/43/915342543.db2.gz CMGBSJMQKZXQCN-ZDUSSCGKSA-N 1 0 393.318 3.665 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)CSc2ccccc2OC)cc1OC ZINC000303975741 915344229 /nfs/dbraw/zinc/34/42/29/915344229.db2.gz JKIKZYSLDHQLNH-CQSZACIVSA-N 1 0 389.521 3.867 20 30 GHEDRO COc1cccc(NC(=[NH2+])NCc2cccc(C(=O)OCc3ccccc3)c2)c1 ZINC000303981034 915347521 /nfs/dbraw/zinc/34/75/21/915347521.db2.gz OQPCGLWCCNJVQI-UHFFFAOYSA-N 1 0 389.455 3.979 20 30 GHEDRO COc1ccccc1SC[C@H](C)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304475668 915516684 /nfs/dbraw/zinc/51/66/84/915516684.db2.gz GQFXTXFNETZSDN-NVXWUHKLSA-N 1 0 385.533 3.852 20 30 GHEDRO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000292410743 915663485 /nfs/dbraw/zinc/66/34/85/915663485.db2.gz PCURBTONWFXBGU-JOCHJYFZSA-N 1 0 399.498 3.588 20 30 GHEDRO CS(=O)(=O)Cc1ccccc1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000304757135 915672681 /nfs/dbraw/zinc/67/26/81/915672681.db2.gz OKUISAOCNPTJHU-UHFFFAOYSA-N 1 0 385.533 3.685 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001188000165 915675633 /nfs/dbraw/zinc/67/56/33/915675633.db2.gz AHLMWQRYZJCKNP-QZTJIDSGSA-N 1 0 384.611 3.802 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(Br)cc2C)c1 ZINC000304760650 915698984 /nfs/dbraw/zinc/69/89/84/915698984.db2.gz STNPHTAUFBAJGF-UHFFFAOYSA-N 1 0 378.270 3.702 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001188028573 915720666 /nfs/dbraw/zinc/72/06/66/915720666.db2.gz FOHGAOQIJASGQR-UHFFFAOYSA-N 1 0 380.598 3.973 20 30 GHEDRO C=CCn1c(SCC[NH+](CC)CC)nc2sc3c(c2c1=O)CCCC3 ZINC001188252650 915855788 /nfs/dbraw/zinc/85/57/88/915855788.db2.gz MJFDOJYKXKCFRI-UHFFFAOYSA-N 1 0 377.579 3.957 20 30 GHEDRO COc1ccc(OC(F)F)c(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)c1 ZINC000305049268 915877452 /nfs/dbraw/zinc/87/74/52/915877452.db2.gz ZRJPFCKRIUJXKA-UHFFFAOYSA-N 1 0 385.798 3.885 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3ccc(Cl)s3)C2)C1=O ZINC001275691695 916030154 /nfs/dbraw/zinc/03/01/54/916030154.db2.gz VGEYLQKFNCJZIX-NQIIRXRSSA-N 1 0 384.932 3.853 20 30 GHEDRO COc1cccc(C)c1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001188812337 916223539 /nfs/dbraw/zinc/22/35/39/916223539.db2.gz ADLJDNQISFWTBR-MXVIHJGJSA-N 1 0 377.488 3.788 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001188995536 916329358 /nfs/dbraw/zinc/32/93/58/916329358.db2.gz VSNSHBBUMAMSMG-PGRDOPGGSA-N 1 0 384.545 3.604 20 30 GHEDRO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709891 916351174 /nfs/dbraw/zinc/35/11/74/916351174.db2.gz DPIHCNDUXVXBMI-ZDUSSCGKSA-N 1 0 385.323 3.975 20 30 GHEDRO C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000293755072 916362284 /nfs/dbraw/zinc/36/22/84/916362284.db2.gz SVQLVPSAMRCAHB-KRWDZBQOSA-N 1 0 393.487 3.677 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC001189058883 916375723 /nfs/dbraw/zinc/37/57/23/916375723.db2.gz FPPLPRBNTFWCSS-AWEZNQCLSA-N 1 0 379.382 3.741 20 30 GHEDRO [NH2+]=C(NC[C@H]1COC2(CCCCCC2)O1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305828870 916461981 /nfs/dbraw/zinc/46/19/81/916461981.db2.gz NZHGGJCHOJHKMR-HNNXBMFYSA-N 1 0 387.402 3.778 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001189176447 916473608 /nfs/dbraw/zinc/47/36/08/916473608.db2.gz AEBGGOBUSJSORT-MXVIHJGJSA-N 1 0 392.579 3.622 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cnc(OC)c(Cl)c2)cc1OCCCC#N ZINC000294917354 917051466 /nfs/dbraw/zinc/05/14/66/917051466.db2.gz FIYBYXJVJMGMRO-UHFFFAOYSA-N 1 0 375.856 3.725 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCCO1 ZINC000775342471 917064093 /nfs/dbraw/zinc/06/40/93/917064093.db2.gz RQMRKVUAAFQXLK-HOTGVXAUSA-N 1 0 377.307 3.843 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000796441091 917300775 /nfs/dbraw/zinc/30/07/75/917300775.db2.gz HHOZTFXNSAUHJE-UHFFFAOYSA-N 1 0 389.499 3.926 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295714432 917441381 /nfs/dbraw/zinc/44/13/81/917441381.db2.gz SHOBDECUJNBKAZ-UHFFFAOYSA-N 1 0 378.314 3.515 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)ccc1OC ZINC000775408397 917544934 /nfs/dbraw/zinc/54/49/34/917544934.db2.gz JWQHYKMKUDAFJX-VVWQDTPRSA-N 1 0 378.563 3.845 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1C ZINC000775418472 917628065 /nfs/dbraw/zinc/62/80/65/917628065.db2.gz JUGWXNCLCFSVIQ-QPPBQGQZSA-N 1 0 391.515 3.918 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)CCc2ccc(Br)cc2)cc1 ZINC001190925311 917641995 /nfs/dbraw/zinc/64/19/95/917641995.db2.gz RIRYBGWSOYSOTR-UHFFFAOYSA-N 1 0 385.305 3.934 20 30 GHEDRO CCCCOC(=O)c1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000775429191 917696704 /nfs/dbraw/zinc/69/67/04/917696704.db2.gz HUDFWAALBPXSSZ-UHFFFAOYSA-N 1 0 391.471 3.733 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000363371290 918162328 /nfs/dbraw/zinc/16/23/28/918162328.db2.gz DXTBMYSPUQVHQB-CVEARBPZSA-N 1 0 395.341 3.739 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC001192202307 918502450 /nfs/dbraw/zinc/50/24/50/918502450.db2.gz ZRQSGNQPGFAGRB-RTWAWAEBSA-N 1 0 380.488 3.958 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296745749 918676229 /nfs/dbraw/zinc/67/62/29/918676229.db2.gz PHDUQIDXSJITLR-HOTGVXAUSA-N 1 0 396.447 3.589 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)CC1 ZINC000296800862 918760369 /nfs/dbraw/zinc/76/03/69/918760369.db2.gz CPUCBTUNIKXAKF-IERDGZPVSA-N 1 0 384.524 3.610 20 30 GHEDRO O=C(c1ccccc1)C(C(=S)Nc1ccc(F)cc1F)[n+]1cccc(CO)c1 ZINC000015245972 919367864 /nfs/dbraw/zinc/36/78/64/919367864.db2.gz GZAJVGVGWUWWBV-UHFFFAOYSA-O 1 0 399.442 3.796 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000115319834 919448690 /nfs/dbraw/zinc/44/86/90/919448690.db2.gz BOFYCQJTTNINLF-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)c2ccc(COc3ccccc3C#N)o2)([NH+](C)C)C1 ZINC000115672450 919465107 /nfs/dbraw/zinc/46/51/07/919465107.db2.gz CLUNLBADDZVGTL-SBUREZEXSA-N 1 0 395.503 3.971 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(-c2ccccc2)n1 ZINC000364448623 919468154 /nfs/dbraw/zinc/46/81/54/919468154.db2.gz NYPOKHVGPSZAAQ-DEOSSOPVSA-N 1 0 397.482 3.560 20 30 GHEDRO CCN(C(=O)COc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000115990245 919488066 /nfs/dbraw/zinc/48/80/66/919488066.db2.gz KJASLRNYGJXGSX-RXVVDRJESA-N 1 0 377.488 3.621 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC(C)C)cc1 ZINC000297700387 919630407 /nfs/dbraw/zinc/63/04/07/919630407.db2.gz JSOQVHYKPBWWNV-UHFFFAOYSA-O 1 0 386.497 3.772 20 30 GHEDRO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3c(Cl)ccc(F)c3Cl)C2)C1=O ZINC001275925878 919736903 /nfs/dbraw/zinc/73/69/03/919736903.db2.gz CEOJFEHCFRVMLN-GOSISDBHSA-N 1 0 384.282 3.861 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3Br)CC2)C1=O ZINC001275966239 920346946 /nfs/dbraw/zinc/34/69/46/920346946.db2.gz SNVAPZWIOGOSSG-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO C[C@@]12CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]1C2(F)F ZINC000298327365 920402915 /nfs/dbraw/zinc/40/29/15/920402915.db2.gz RETLGFMHRXRAEN-MAUKXSAKSA-N 1 0 379.476 3.804 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)cnc3OC)CC2)C1=O ZINC001275970881 920436985 /nfs/dbraw/zinc/43/69/85/920436985.db2.gz ZUULPQOAZYKKLJ-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)COc2cccc(C#N)c2)C1 ZINC000802148653 921864832 /nfs/dbraw/zinc/86/48/32/921864832.db2.gz QTQYXQQRTOPVMY-VGSWGCGISA-N 1 0 382.435 3.655 20 30 GHEDRO C#CCCCC(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000802220465 921923525 /nfs/dbraw/zinc/92/35/25/921923525.db2.gz UUGGGTZZIIKAAB-UHFFFAOYSA-N 1 0 394.309 3.639 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000368250030 922552822 /nfs/dbraw/zinc/55/28/22/922552822.db2.gz AYVOJKNHUSXSOF-CQSZACIVSA-N 1 0 381.339 3.519 20 30 GHEDRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3cc(C#N)ccn3)nc12 ZINC000902951088 922631806 /nfs/dbraw/zinc/63/18/06/922631806.db2.gz KYCYOXAVWAAVFR-ZDUSSCGKSA-N 1 0 384.281 3.565 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@]1(C)CCCCO1 ZINC000903094153 922767259 /nfs/dbraw/zinc/76/72/59/922767259.db2.gz NAVARUJVBMEBQG-UPVQGACJSA-N 1 0 399.579 3.772 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000368649403 922792946 /nfs/dbraw/zinc/79/29/46/922792946.db2.gz DRVCRBZDQURZKV-MJGOQNOKSA-N 1 0 394.544 3.836 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009992459 923730621 /nfs/dbraw/zinc/73/06/21/923730621.db2.gz KJIBJHGGMNFUAC-UHFFFAOYSA-N 1 0 388.471 3.776 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000370557870 924167713 /nfs/dbraw/zinc/16/77/13/924167713.db2.gz LWHHJUYRUUXVHZ-UYAOXDASSA-N 1 0 392.434 3.660 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC[NH+](CC)CC1 ZINC000409457111 924639575 /nfs/dbraw/zinc/63/95/75/924639575.db2.gz PHWGFIKULPXRBN-UHFFFAOYSA-N 1 0 398.320 3.770 20 30 GHEDRO COc1cc(Cl)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371542059 924649413 /nfs/dbraw/zinc/64/94/13/924649413.db2.gz HOMKACUREXMKDY-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc1 ZINC000678346551 924736875 /nfs/dbraw/zinc/73/68/75/924736875.db2.gz KTZKCBWNRLEMRZ-JOCHJYFZSA-N 1 0 380.488 3.827 20 30 GHEDRO N#C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC12CCCC2 ZINC000827096489 924737934 /nfs/dbraw/zinc/73/79/34/924737934.db2.gz WOHRHYYDCMNHDM-LAUBAEHRSA-N 1 0 387.911 3.600 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@](C)(C#N)CCc2ccccc2)CC1 ZINC000371818943 924882047 /nfs/dbraw/zinc/88/20/47/924882047.db2.gz NIBROEONPQDUPN-HSZRJFAPSA-N 1 0 376.504 3.638 20 30 GHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409731999 924931005 /nfs/dbraw/zinc/93/10/05/924931005.db2.gz MBPFQHBKHSOWJU-UHFFFAOYSA-N 1 0 375.398 3.720 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679341000 925101461 /nfs/dbraw/zinc/10/14/61/925101461.db2.gz IRMYGJOUQBZVLV-MOPGFXCFSA-N 1 0 379.342 3.909 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3c(F)ccc(F)c3Cl)CC2)C1=O ZINC001276072951 925231190 /nfs/dbraw/zinc/23/11/90/925231190.db2.gz UYMJXKBGPFYKOS-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000372392690 925386467 /nfs/dbraw/zinc/38/64/67/925386467.db2.gz XYPPIXCZLHZCGE-UHFFFAOYSA-N 1 0 395.532 3.698 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(O)ccc3Br)CC2)C1=O ZINC001276088523 925472434 /nfs/dbraw/zinc/47/24/34/925472434.db2.gz FZGBJBOSJPBKSI-LJQANCHMSA-N 1 0 393.325 3.545 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000680968601 925671581 /nfs/dbraw/zinc/67/15/81/925671581.db2.gz PWWLLOMWMMNRPM-UHFFFAOYSA-N 1 0 386.536 3.988 20 30 GHEDRO C#C[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C1CCOCC1 ZINC000827570328 925823407 /nfs/dbraw/zinc/82/34/07/925823407.db2.gz LVSMYYQXHVQXFR-HXUWFJFHSA-N 1 0 383.517 3.654 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000411163853 926146342 /nfs/dbraw/zinc/14/63/42/926146342.db2.gz GKIQMBUUYGUVPD-INIZCTEOSA-N 1 0 381.476 3.815 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000373649369 926313134 /nfs/dbraw/zinc/31/31/34/926313134.db2.gz ULZKVLBVFXFPHR-OXJNMPFZSA-N 1 0 375.538 3.910 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H](CCO)c3ccccc3)sc2C1 ZINC000411440890 926400084 /nfs/dbraw/zinc/40/00/84/926400084.db2.gz CMQYZBIYVPFHBM-DNVCBOLYSA-N 1 0 397.544 3.786 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccnc(Cl)c1 ZINC000726229176 926598378 /nfs/dbraw/zinc/59/83/78/926598378.db2.gz ACRVRDPOZLGPOX-UHFFFAOYSA-N 1 0 377.945 3.833 20 30 GHEDRO C[C@@H](NC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000726450381 926671795 /nfs/dbraw/zinc/67/17/95/926671795.db2.gz OYQMZYWFNHURBP-MRXNPFEDSA-N 1 0 384.574 3.763 20 30 GHEDRO CCOC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)C ZINC000411716639 926675024 /nfs/dbraw/zinc/67/50/24/926675024.db2.gz FULZEUOYHLRLQP-YOEHRIQHSA-N 1 0 377.554 3.724 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411871818 926861126 /nfs/dbraw/zinc/86/11/26/926861126.db2.gz SVMXOMOAASRRAV-UHFFFAOYSA-N 1 0 387.549 3.694 20 30 GHEDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCC1 ZINC000412025649 927012893 /nfs/dbraw/zinc/01/28/93/927012893.db2.gz QJCXBKINJWATTQ-QGZVFWFLSA-N 1 0 386.540 3.968 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1 ZINC000374332651 927027273 /nfs/dbraw/zinc/02/72/73/927027273.db2.gz OMKXDVFVQYYGQF-UHFFFAOYSA-N 1 0 387.418 3.934 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000749592512 927206169 /nfs/dbraw/zinc/20/61/69/927206169.db2.gz YLMYGSSPOMIDMS-DYESRHJHSA-N 1 0 378.476 3.621 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC([NH+]3CCCCC3)CC2)nc1-c1ccco1 ZINC000749663279 927226018 /nfs/dbraw/zinc/22/60/18/927226018.db2.gz VZKMDMHIZOOHCM-UHFFFAOYSA-N 1 0 387.553 3.768 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)OCc2ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC000374882514 927650172 /nfs/dbraw/zinc/65/01/72/927650172.db2.gz QNDMKUNTVGBATA-UHFFFAOYSA-N 1 0 384.483 3.980 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000750579231 927727484 /nfs/dbraw/zinc/72/74/84/927727484.db2.gz CLWZOWZEADATGL-WYMLVPIESA-N 1 0 394.515 3.993 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000750856615 927897961 /nfs/dbraw/zinc/89/79/61/927897961.db2.gz VBMNODUKIBHTEC-UHFFFAOYSA-N 1 0 386.536 3.716 20 30 GHEDRO COCC[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000467266391 928891760 /nfs/dbraw/zinc/89/17/60/928891760.db2.gz QTKQJAVSAVCAMM-INIZCTEOSA-N 1 0 389.565 3.966 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000467294648 928925899 /nfs/dbraw/zinc/92/58/99/928925899.db2.gz BLQFSSOJGMBCQL-OKILXGFUSA-N 1 0 383.305 3.976 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)CC1 ZINC000544600050 929327739 /nfs/dbraw/zinc/32/77/39/929327739.db2.gz YIPRERAVVKOEIJ-QRGRWYIGSA-N 1 0 395.934 3.978 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000467721455 929340660 /nfs/dbraw/zinc/34/06/60/929340660.db2.gz UYEYROLMQHMGEA-OPAMFIHVSA-N 1 0 375.472 3.757 20 30 GHEDRO CCc1nnc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(C#N)c1CC ZINC000467773845 929397123 /nfs/dbraw/zinc/39/71/23/929397123.db2.gz YYMCQAKZQNJDLU-KRWDZBQOSA-N 1 0 393.535 3.785 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000753588200 929431631 /nfs/dbraw/zinc/43/16/31/929431631.db2.gz YXADXHWUNSHKDE-UHFFFAOYSA-N 1 0 398.551 3.560 20 30 GHEDRO C#CC[C@H](NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000757769245 929794236 /nfs/dbraw/zinc/79/42/36/929794236.db2.gz WBIDNEZTRLLCAC-PKTZIBPZSA-N 1 0 390.531 3.842 20 30 GHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469541234 929977015 /nfs/dbraw/zinc/97/70/15/929977015.db2.gz APPSCCHLYBJRHS-UHFFFAOYSA-N 1 0 396.535 3.564 20 30 GHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469547698 929981402 /nfs/dbraw/zinc/98/14/02/929981402.db2.gz SAUIWSSHVVPCJV-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000758632012 930110314 /nfs/dbraw/zinc/11/03/14/930110314.db2.gz NOEXPHSVYQXNHM-IBGZPJMESA-N 1 0 377.410 3.878 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469757852 930140344 /nfs/dbraw/zinc/14/03/44/930140344.db2.gz UMUQSUZCHAYVKR-INIZCTEOSA-N 1 0 393.409 3.698 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000758791808 930169374 /nfs/dbraw/zinc/16/93/74/930169374.db2.gz JWAQXCCJWVRNJZ-IAGOWNOFSA-N 1 0 382.508 3.936 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000759059103 930260688 /nfs/dbraw/zinc/26/06/88/930260688.db2.gz PVULAMPCNJBUDW-UHFFFAOYSA-O 1 0 396.492 3.614 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000470347016 930550206 /nfs/dbraw/zinc/55/02/06/930550206.db2.gz NXGFBMNPFUDMEK-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781211384 930743221 /nfs/dbraw/zinc/74/32/21/930743221.db2.gz KPEAKZDUYXGZLT-WBVHZDCISA-N 1 0 380.492 3.633 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1 ZINC000781467462 930858959 /nfs/dbraw/zinc/85/89/59/930858959.db2.gz VXUDIXSPUCXSGU-HXUWFJFHSA-N 1 0 398.547 3.596 20 30 GHEDRO Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1NC(=O)CC[NH+](C)C ZINC000547339262 930930690 /nfs/dbraw/zinc/93/06/90/930930690.db2.gz ZNJPRNQAJFPHGZ-UHFFFAOYSA-N 1 0 384.867 3.663 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)C#N)cc2Cl)CC1 ZINC000781833977 930996313 /nfs/dbraw/zinc/99/63/13/930996313.db2.gz HYQYPSSGMZEBQY-UHFFFAOYSA-N 1 0 377.920 3.543 20 30 GHEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC1(c2ccccc2)CC1 ZINC000781931766 931034912 /nfs/dbraw/zinc/03/49/12/931034912.db2.gz CCVSYAATIPLHFT-LJQANCHMSA-N 1 0 382.467 3.887 20 30 GHEDRO COc1cc(C#N)cc(Cl)c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000557531594 931523621 /nfs/dbraw/zinc/52/36/21/931523621.db2.gz QNPKLPCJFKGSKL-SFHVURJKSA-N 1 0 386.879 3.890 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000924983616 931602197 /nfs/dbraw/zinc/60/21/97/931602197.db2.gz HFRWXCGKYIDNED-GOSISDBHSA-N 1 0 390.572 3.546 20 30 GHEDRO CC[C@@H](C)[NH2+][C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000557691499 931613758 /nfs/dbraw/zinc/61/37/58/931613758.db2.gz CMJNXZHDMMQOQW-FZKQIMNGSA-N 1 0 379.420 3.571 20 30 GHEDRO CCC1(O)CCC([NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925295148 931733982 /nfs/dbraw/zinc/73/39/82/931733982.db2.gz JNFRPPBWSCNNQN-LYGNXSNRSA-N 1 0 393.572 3.979 20 30 GHEDRO N#CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000784329885 931858376 /nfs/dbraw/zinc/85/83/76/931858376.db2.gz ZTVZYMXOPIHHAI-KSEOMHKRSA-N 1 0 389.499 3.619 20 30 GHEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000558290242 931923408 /nfs/dbraw/zinc/92/34/08/931923408.db2.gz XJAVVURAVSCBGD-HSZRJFAPSA-N 1 0 391.515 3.661 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)c2ncc(C#N)cc2Cl)[NH+](CC)CC)cc1 ZINC000558349955 931955570 /nfs/dbraw/zinc/95/55/70/931955570.db2.gz KTHMFXQJWDBDHO-IBGZPJMESA-N 1 0 384.911 3.982 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000796676783 932027603 /nfs/dbraw/zinc/02/76/03/932027603.db2.gz CDZFRLUUHVTPLV-QGZVFWFLSA-N 1 0 396.516 3.519 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000926185698 932076812 /nfs/dbraw/zinc/07/68/12/932076812.db2.gz ZYVTUYNPRMKPDR-BHIYHBOVSA-N 1 0 391.556 3.853 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796962302 932124910 /nfs/dbraw/zinc/12/49/10/932124910.db2.gz REOFZVZKINALPX-UTKZUKDTSA-N 1 0 398.551 3.762 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCOC1 ZINC000558657791 932144638 /nfs/dbraw/zinc/14/46/38/932144638.db2.gz FLWGQTBHKMUMSA-OAHLLOKOSA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccc(CO)cc1 ZINC000926631218 932253806 /nfs/dbraw/zinc/25/38/06/932253806.db2.gz MWPVUPGVDYZBGN-KRWDZBQOSA-N 1 0 387.524 3.588 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000926695976 932275116 /nfs/dbraw/zinc/27/51/16/932275116.db2.gz ILNVACUETLHOJV-DLBZAZTESA-N 1 0 377.529 3.607 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@H]1CCCOC1 ZINC000926745243 932289228 /nfs/dbraw/zinc/28/92/28/932289228.db2.gz GGBCTEGUGFBRHD-QZTJIDSGSA-N 1 0 379.545 3.712 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)N[C@H](c1ncccn1)C1CC1 ZINC000926894744 932339670 /nfs/dbraw/zinc/33/96/70/932339670.db2.gz PQVDOJQIXZAQRP-AEFFLSMTSA-N 1 0 399.539 3.837 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000558995745 932361686 /nfs/dbraw/zinc/36/16/86/932361686.db2.gz LMUVBZMPYFKFCC-UHFFFAOYSA-N 1 0 383.521 3.540 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(N=Nc2nc(-c3ccncc3)no2)CC1 ZINC000797786580 932407912 /nfs/dbraw/zinc/40/79/12/932407912.db2.gz CIHYFLUMKGXPPH-UHFFFAOYSA-N 1 0 376.464 3.974 20 30 GHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000559248655 932549692 /nfs/dbraw/zinc/54/96/92/932549692.db2.gz XIGITAAJXVMZSQ-VGSWGCGISA-N 1 0 395.478 3.508 20 30 GHEDRO CC[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000799145966 932888370 /nfs/dbraw/zinc/88/83/70/932888370.db2.gz RUKNUJXQJBSDCJ-ZWKOTPCHSA-N 1 0 379.545 3.712 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)ccc1C#N ZINC000799336095 932955136 /nfs/dbraw/zinc/95/51/36/932955136.db2.gz HRQZXSYRGVXLTO-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO Cc1ccc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1C#N ZINC000799339783 932957514 /nfs/dbraw/zinc/95/75/14/932957514.db2.gz VTMFCGGEXICDCF-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1C#N ZINC000799698652 933095970 /nfs/dbraw/zinc/09/59/70/933095970.db2.gz YXARCAIQFSHBPH-LJQANCHMSA-N 1 0 383.879 3.620 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000560538731 933326077 /nfs/dbraw/zinc/32/60/77/933326077.db2.gz OCAOKWHIMGIJNT-KSEOMHKRSA-N 1 0 377.488 3.828 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=S)Nc3ccccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000777929539 934194940 /nfs/dbraw/zinc/19/49/40/934194940.db2.gz WYXMIRXFANQSFR-RTWAWAEBSA-N 1 0 392.528 3.831 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(O)(Cc2ccccc2F)CC1)c1ccccc1 ZINC001119308696 934328634 /nfs/dbraw/zinc/32/86/34/934328634.db2.gz QFPFNJFAEUNQOV-XMMPIXPASA-N 1 0 394.490 3.636 20 30 GHEDRO C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001119382761 934340257 /nfs/dbraw/zinc/34/02/57/934340257.db2.gz CDAPPTFVHJJWGR-IEBWSBKVSA-N 1 0 392.341 3.784 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(c3cc(C(F)(F)F)c(F)cc3C#N)CC2)CC1 ZINC001120913349 934534843 /nfs/dbraw/zinc/53/48/43/934534843.db2.gz MBWYWRACENZKEC-UHFFFAOYSA-N 1 0 398.448 3.711 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N3CCC[C@@H]3c3ccsc3)n2CC=C)CC1 ZINC001121577565 934703625 /nfs/dbraw/zinc/70/36/25/934703625.db2.gz UZDGAYJVMGHZFL-LJQANCHMSA-N 1 0 381.549 3.680 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC001121621204 934717957 /nfs/dbraw/zinc/71/79/57/934717957.db2.gz YSUUSUWFKMYNMY-UHFFFAOYSA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCn1c(-c2cncc3ccccc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001121651272 934726785 /nfs/dbraw/zinc/72/67/85/934726785.db2.gz NMRRHTDDYWGQAW-SFHVURJKSA-N 1 0 390.535 3.847 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000931842479 934744307 /nfs/dbraw/zinc/74/43/07/934744307.db2.gz IWOVWGXJMRQZDL-UHFFFAOYSA-N 1 0 380.467 3.789 20 30 GHEDRO CCn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001121721449 934747668 /nfs/dbraw/zinc/74/76/68/934747668.db2.gz YDEHTSAXYHQTFA-QHCPKHFHSA-N 1 0 396.583 3.868 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931917415 934764695 /nfs/dbraw/zinc/76/46/95/934764695.db2.gz YTAHKRZGYDTPFR-CQSZACIVSA-N 1 0 375.753 3.517 20 30 GHEDRO CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001121849167 934778039 /nfs/dbraw/zinc/77/80/39/934778039.db2.gz XKLSMTGCANRZRO-QUCCMNQESA-N 1 0 379.589 3.561 20 30 GHEDRO CCn1c(N(C)[C@@H](C)CC#N)nnc1[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121890816 934785416 /nfs/dbraw/zinc/78/54/16/934785416.db2.gz RULIELZROMCANA-FVJLSDCUSA-N 1 0 384.503 3.668 20 30 GHEDRO N#Cc1nnc2ccccc2c1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000562362148 934836809 /nfs/dbraw/zinc/83/68/09/934836809.db2.gz RDVGQQHCISWKKI-QGZVFWFLSA-N 1 0 375.501 3.531 20 30 GHEDRO Cc1c(NC(=O)[C@@H]([NH3+])CCCC#N)cc(Br)cc1C(F)(F)F ZINC001122340776 934856196 /nfs/dbraw/zinc/85/61/96/934856196.db2.gz PPBGNAGTABMWME-NSHDSACASA-N 1 0 378.192 3.736 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2CC(C)C)C1 ZINC001122723069 934962797 /nfs/dbraw/zinc/96/27/97/934962797.db2.gz GRTQIOHEPMFMJS-WMZHIEFXSA-N 1 0 398.599 3.828 20 30 GHEDRO CCn1ccnc1[C@H](C#N)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC001123338311 935165136 /nfs/dbraw/zinc/16/51/36/935165136.db2.gz ZYELINHZVHDJRA-PKOBYXMFSA-N 1 0 380.492 3.646 20 30 GHEDRO C[NH+]1CCC(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)CC1 ZINC001124169742 935352194 /nfs/dbraw/zinc/35/21/94/935352194.db2.gz XNYGWVBJGZSYSW-CQSZACIVSA-N 1 0 389.565 3.820 20 30 GHEDRO C=CC1(CC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCCCC1 ZINC001124585751 935420337 /nfs/dbraw/zinc/42/03/37/935420337.db2.gz SEGDYZHXOZTPLL-UHFFFAOYSA-N 1 0 399.579 3.850 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)cc1 ZINC000828048561 935569851 /nfs/dbraw/zinc/56/98/51/935569851.db2.gz PPPYZFDPPWTHNN-HNNXBMFYSA-N 1 0 392.434 3.940 20 30 GHEDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1C#N ZINC000829516612 935821225 /nfs/dbraw/zinc/82/12/25/935821225.db2.gz FVMJGLDJOBFUJI-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(N2CCNC2=O)cc1 ZINC000829740179 935854466 /nfs/dbraw/zinc/85/44/66/935854466.db2.gz URSXIJZHRXCXIE-AWEZNQCLSA-N 1 0 384.867 3.623 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC001137900106 935854778 /nfs/dbraw/zinc/85/47/78/935854778.db2.gz QNDQXYNNPDXTOB-LJQANCHMSA-N 1 0 375.394 3.825 20 30 GHEDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137904139 935857568 /nfs/dbraw/zinc/85/75/68/935857568.db2.gz OIKWUNDJGPSHBT-COPCDDAFSA-N 1 0 375.472 3.852 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(F)c1F ZINC001137968867 935896724 /nfs/dbraw/zinc/89/67/24/935896724.db2.gz WFDOAQGDXDZSEM-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NC1c2ccccc2Oc2ccccc21 ZINC001220722329 1032083480 /nfs/dbraw/zinc/08/34/80/1032083480.db2.gz XGQXWQLKOMIQLS-RTWAWAEBSA-N 1 0 395.462 3.873 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001625938157 1014487513 /nfs/dbraw/zinc/48/75/13/1014487513.db2.gz SRHXWFGWXKRPAV-NRFANRHFSA-N 1 0 375.516 3.746 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000468967283 1016284611 /nfs/dbraw/zinc/28/46/11/1016284611.db2.gz LEMPJTXTIGEJGV-ZIAGYGMSSA-N 1 0 381.314 3.697 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(C3(C#N)CCCC3)n2)cc1OC ZINC000546988294 1016778314 /nfs/dbraw/zinc/77/83/14/1016778314.db2.gz KJKYVXXWANFKGA-UHFFFAOYSA-N 1 0 384.480 3.801 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000471035835 1016945551 /nfs/dbraw/zinc/94/55/51/1016945551.db2.gz RRSWXYUKADVNHC-JOCHJYFZSA-N 1 0 377.488 3.649 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](Cc3ccccc3)Cc3cccnc3)CC2)nc1 ZINC000924920191 1017024341 /nfs/dbraw/zinc/02/43/41/1017024341.db2.gz DOCDQNOHKHYOEJ-DEOSSOPVSA-N 1 0 397.526 3.761 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1sc3scc(C)c3c1C)C2 ZINC001277201168 1032382535 /nfs/dbraw/zinc/38/25/35/1032382535.db2.gz QZAVWBKFZVCCKO-HXUWFJFHSA-N 1 0 390.574 3.817 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001227478932 1032435668 /nfs/dbraw/zinc/43/56/68/1032435668.db2.gz FFFPBBSIGUMCFK-FKBYEOEOSA-N 1 0 385.552 3.664 20 30 GHEDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1c(C#N)c(Cl)nc2cccc(C)c21 ZINC001155236955 1032466839 /nfs/dbraw/zinc/46/68/39/1032466839.db2.gz RBOIEBCDENXQSR-INIZCTEOSA-N 1 0 388.899 3.611 20 30 GHEDRO COCC[NH+]1CCC(Oc2ccc(C[C@H](C#N)c3ccc(O)cc3)cc2)CC1 ZINC001227723411 1032530323 /nfs/dbraw/zinc/53/03/23/1032530323.db2.gz VTARYKPRJVJSBX-HXUWFJFHSA-N 1 0 380.488 3.732 20 30 GHEDRO CCc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)cc1 ZINC001204177189 1032628365 /nfs/dbraw/zinc/62/83/65/1032628365.db2.gz YODCGYPEOFERDV-DEOSSOPVSA-N 1 0 390.531 3.635 20 30 GHEDRO CO[C@H](C[NH+]1CCN(c2ccc(C3(C#N)CCC3)cn2)CC1)c1ccccc1 ZINC001155714791 1032658533 /nfs/dbraw/zinc/65/85/33/1032658533.db2.gz GHAUSCVNIXQOLM-OAQYLSRUSA-N 1 0 376.504 3.537 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000558074064 1017108422 /nfs/dbraw/zinc/10/84/22/1017108422.db2.gz BGICISIMHQERLK-JOCHJYFZSA-N 1 0 398.551 3.513 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000558999824 1017333933 /nfs/dbraw/zinc/33/39/33/1017333933.db2.gz RHYHOKKEXAMNNJ-GUDVDZBRSA-N 1 0 389.588 3.693 20 30 GHEDRO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929632993 1017718343 /nfs/dbraw/zinc/71/83/43/1017718343.db2.gz QRSSQIXKTFZFHZ-GTPINHCMSA-N 1 0 385.537 3.807 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)c(OCC)c3F)C2)C1=O ZINC001276454877 1032718838 /nfs/dbraw/zinc/71/88/38/1032718838.db2.gz XOYZKPJWFZGKRP-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cnccc3Br)C2)C1=O ZINC001277258228 1032723869 /nfs/dbraw/zinc/72/38/69/1032723869.db2.gz RYWYWZDINGKDJE-FQEVSTJZSA-N 1 0 398.304 3.520 20 30 GHEDRO N#Cc1c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc2cc(Cl)ccn21 ZINC000561337101 1017843209 /nfs/dbraw/zinc/84/32/09/1017843209.db2.gz AZVBZSMSSKGKTQ-GOSISDBHSA-N 1 0 395.894 3.562 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CN2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000930923156 1017901942 /nfs/dbraw/zinc/90/19/42/1017901942.db2.gz JVBBDEDGIQFHLL-NJNPRVFISA-N 1 0 384.524 3.632 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000931488061 1017990568 /nfs/dbraw/zinc/99/05/68/1017990568.db2.gz MQQOHBWDMNKZEU-KRWDZBQOSA-N 1 0 393.491 3.941 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)c1 ZINC000562180346 1018062255 /nfs/dbraw/zinc/06/22/55/1018062255.db2.gz PURPLRHHBBQEOG-SFHVURJKSA-N 1 0 380.517 3.745 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932193095 1018139867 /nfs/dbraw/zinc/13/98/67/1018139867.db2.gz CJNZXFZDOVXLFY-MRXNPFEDSA-N 1 0 380.517 3.712 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000562569290 1018328632 /nfs/dbraw/zinc/32/86/32/1018328632.db2.gz ATLLYHVJNQWBTL-JLZZUVOBSA-N 1 0 391.313 3.722 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cc(Cl)cc(Cl)c1F ZINC000932566314 1018466285 /nfs/dbraw/zinc/46/62/85/1018466285.db2.gz BUYOTNAQAPRJLZ-AAEUAGOBSA-N 1 0 375.271 3.854 20 30 GHEDRO N#CC[C@@H](NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000932909439 1018746484 /nfs/dbraw/zinc/74/64/84/1018746484.db2.gz FFOCBEMPLZKURQ-QGZVFWFLSA-N 1 0 394.441 3.529 20 30 GHEDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2)ncn1 ZINC000564416127 1019071805 /nfs/dbraw/zinc/07/18/05/1019071805.db2.gz YLYWWEFLYYZCFT-QGZVFWFLSA-N 1 0 389.425 3.688 20 30 GHEDRO CCOCC[N@H+](Cc1ccccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001204373202 1032815795 /nfs/dbraw/zinc/81/57/95/1032815795.db2.gz PWFCXIPVMPQGQT-UHFFFAOYSA-N 1 0 387.524 3.796 20 30 GHEDRO CC[C@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)OCCc2ccccc21 ZINC000567653600 1019326755 /nfs/dbraw/zinc/32/67/55/1019326755.db2.gz CMEQXZONMILLDK-XMMPIXPASA-N 1 0 375.516 3.995 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000156857902 1019749931 /nfs/dbraw/zinc/74/99/31/1019749931.db2.gz XXHRBKPPBJRAJS-IBGZPJMESA-N 1 0 379.504 3.694 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1C ZINC000575944656 1019959966 /nfs/dbraw/zinc/95/99/66/1019959966.db2.gz HDGRUYRRWVTCTO-HXUWFJFHSA-N 1 0 399.922 3.917 20 30 GHEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)Cc1ccc(Cl)cc1 ZINC000576230695 1019991349 /nfs/dbraw/zinc/99/13/49/1019991349.db2.gz LBNQHUBYHPKCKK-HUUCEWRRSA-N 1 0 387.867 3.934 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000601187579 1020302306 /nfs/dbraw/zinc/30/23/06/1020302306.db2.gz UNRAUTCBSNXSQF-XMMPIXPASA-N 1 0 396.494 3.877 20 30 GHEDRO N#Cc1cc(C(F)(F)n2ccc3cc(N4CC[NH2+]CC4)ccc32)cc(Cl)n1 ZINC001156206730 1032923342 /nfs/dbraw/zinc/92/33/42/1032923342.db2.gz NBZJQBUMYRZERX-UHFFFAOYSA-N 1 0 387.821 3.569 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000779356838 1020740643 /nfs/dbraw/zinc/74/06/43/1020740643.db2.gz IOVVHMFEPPMJDI-AZUAARDMSA-N 1 0 394.544 3.912 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc4n[nH]cc4c3)C[C@@H]2c2ccccc2)C1=O ZINC001140387006 1021542136 /nfs/dbraw/zinc/54/21/36/1021542136.db2.gz RQPGLGYYNZBXCI-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccc(C#N)cc1 ZINC000903079354 1021575344 /nfs/dbraw/zinc/57/53/44/1021575344.db2.gz MLUFCBHUCPXXNU-ZYSHUDEJSA-N 1 0 385.508 3.671 20 30 GHEDRO CC[N@@H+]1CCCN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC1 ZINC001140438136 1021707856 /nfs/dbraw/zinc/70/78/56/1021707856.db2.gz YXVSMSMALKBPTF-UHFFFAOYSA-N 1 0 382.508 3.824 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001140440793 1021714523 /nfs/dbraw/zinc/71/45/23/1021714523.db2.gz GURUHVYDSNNDAK-WMZOPIPTSA-N 1 0 381.476 3.764 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001140441236 1021715561 /nfs/dbraw/zinc/71/55/61/1021715561.db2.gz LYRHWYUDORDCJC-OXJNMPFZSA-N 1 0 381.476 3.907 20 30 GHEDRO Cc1ccc(Cl)nc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001140443737 1021727264 /nfs/dbraw/zinc/72/72/64/1021727264.db2.gz XZUMUVQVGOVSGB-NRFANRHFSA-N 1 0 380.879 3.544 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnn1-c1ccccc1)[C@@H]2CC ZINC001140525753 1021919716 /nfs/dbraw/zinc/91/97/16/1021919716.db2.gz RSBCKMXVROHDPU-GGAORHGYSA-N 1 0 378.520 3.794 20 30 GHEDRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@H+](Cc3ccc(C#N)nc3)C[C@H]21 ZINC001140541646 1021940394 /nfs/dbraw/zinc/94/03/94/1021940394.db2.gz OHYJTDNXOLZSBG-LEWJYISDSA-N 1 0 390.487 3.672 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)cn1 ZINC001140543572 1021943626 /nfs/dbraw/zinc/94/36/26/1021943626.db2.gz QBPYDTVKFZKOFL-UHFFFAOYSA-N 1 0 378.520 3.514 20 30 GHEDRO N#Cc1ccc2[nH]c(C(=O)N3CCC([N@@H+]4CCc5ccccc5C4)CC3)cc2c1 ZINC001156456690 1033041675 /nfs/dbraw/zinc/04/16/75/1033041675.db2.gz FZGNDUWWMDYBDW-UHFFFAOYSA-N 1 0 384.483 3.702 20 30 GHEDRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752650 1022434905 /nfs/dbraw/zinc/43/49/05/1022434905.db2.gz NDOKMBSXQFVWEF-KGLIPLIRSA-N 1 0 379.451 3.962 20 30 GHEDRO C=C(CC(=O)OCCCC)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001204729060 1033051634 /nfs/dbraw/zinc/05/16/34/1033051634.db2.gz DAANNEPFGTYEKH-UKTHLTGXSA-N 1 0 382.464 3.945 20 30 GHEDRO N#Cc1c(F)cc(C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cc1F ZINC001140757809 1022448184 /nfs/dbraw/zinc/44/81/84/1022448184.db2.gz SXGYWADDQWBOTM-FQEVSTJZSA-N 1 0 387.455 3.917 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cccc(C#N)c4Cl)CC[N@@H+]3C2)cc1 ZINC001140811104 1022599755 /nfs/dbraw/zinc/59/97/55/1022599755.db2.gz LDHKGJIXCAFQLR-FPOVZHCZSA-N 1 0 381.907 3.858 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1Cl ZINC001140813315 1022610380 /nfs/dbraw/zinc/61/03/80/1022610380.db2.gz DAVPXDSUMXMVOA-LJQANCHMSA-N 1 0 379.891 3.707 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000836248078 1022766690 /nfs/dbraw/zinc/76/66/90/1022766690.db2.gz BWMVKBMQKYUPHT-QGZVFWFLSA-N 1 0 392.341 3.686 20 30 GHEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000754668250 1022820661 /nfs/dbraw/zinc/82/06/61/1022820661.db2.gz NXGBIABJAZKBIG-AWEZNQCLSA-N 1 0 380.435 3.894 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000754742689 1022874419 /nfs/dbraw/zinc/87/44/19/1022874419.db2.gz XFKXHDRLXSAYBK-KXBFYZLASA-N 1 0 390.524 3.864 20 30 GHEDRO COC(=O)C1(Nc2ncc(C#N)c3sc(-c4ccccc4)cc32)CC[NH2+]CC1 ZINC001156536321 1033090318 /nfs/dbraw/zinc/09/03/18/1033090318.db2.gz PJKFQSXHDOSZHS-UHFFFAOYSA-N 1 0 392.484 3.542 20 30 GHEDRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C1CCN(CC#N)CC1 ZINC000754832434 1022920697 /nfs/dbraw/zinc/92/06/97/1022920697.db2.gz YPULACMRTJICGU-UHFFFAOYSA-N 1 0 385.943 3.786 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)COC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1C ZINC000754871655 1022942600 /nfs/dbraw/zinc/94/26/00/1022942600.db2.gz INSFTEGUVJUNHM-UHFFFAOYSA-N 1 0 399.535 3.746 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](COc2c(C)cccc2C)c2ccccc2)CC1 ZINC000755572984 1023298343 /nfs/dbraw/zinc/29/83/43/1023298343.db2.gz BRBAJOGPPHLYTC-QHCPKHFHSA-N 1 0 390.527 3.885 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075606 1023436829 /nfs/dbraw/zinc/43/68/29/1023436829.db2.gz UKTQZBFVCRCXGK-RUZDIDTESA-N 1 0 393.575 3.919 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001141109067 1023522380 /nfs/dbraw/zinc/52/23/80/1023522380.db2.gz MCBJTWJQEFGVTD-RYUDHWBXSA-N 1 0 398.960 3.838 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1C#N ZINC000756549222 1023709583 /nfs/dbraw/zinc/70/95/83/1023709583.db2.gz BOHQFAGLDJEGMI-PXNSSMCTSA-N 1 0 382.460 3.806 20 30 GHEDRO C=C(C)[C@H](CC(=O)OC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1)OCC ZINC000756557922 1023712659 /nfs/dbraw/zinc/71/26/59/1023712659.db2.gz KVSZFFXRDVQJTC-VCOUNFBDSA-N 1 0 375.509 3.993 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@H]4CC[C@]5(CC[NH2+]C5)O4)n3)cc2)cc1 ZINC001204901663 1033155781 /nfs/dbraw/zinc/15/57/81/1033155781.db2.gz LYXBVLYYIXCWRQ-DENIHFKCSA-N 1 0 388.427 3.984 20 30 GHEDRO C#CC[C@@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccccc1 ZINC000756920706 1023866549 /nfs/dbraw/zinc/86/65/49/1023866549.db2.gz FSKKMQMIGYEISJ-JOCHJYFZSA-N 1 0 376.504 3.633 20 30 GHEDRO C#CC[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000757015199 1023907724 /nfs/dbraw/zinc/90/77/24/1023907724.db2.gz DYBKZNQOOVLDBA-QHCPKHFHSA-N 1 0 375.516 3.962 20 30 GHEDRO C#CC[C@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1 ZINC000757019693 1023909264 /nfs/dbraw/zinc/90/92/64/1023909264.db2.gz SQDNGMDDKPMSOP-QFIPXVFZSA-N 1 0 379.504 3.581 20 30 GHEDRO C#CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000757035374 1023914466 /nfs/dbraw/zinc/91/44/66/1023914466.db2.gz MNHXXMGBMMTWLZ-OIBXWCBGSA-N 1 0 375.516 3.961 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3ccc(Cl)cc32)C1 ZINC001228913799 1033174665 /nfs/dbraw/zinc/17/46/65/1033174665.db2.gz USBFKTVANQLABW-MRXNPFEDSA-N 1 0 380.835 3.514 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001141186437 1024043084 /nfs/dbraw/zinc/04/30/84/1024043084.db2.gz UVZTVRLBCJHWTA-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837184508 1024201558 /nfs/dbraw/zinc/20/15/58/1024201558.db2.gz XRLHMUSCKYMNIB-INIZCTEOSA-N 1 0 379.467 3.833 20 30 GHEDRO COc1cc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000831055841 1024334168 /nfs/dbraw/zinc/33/41/68/1024334168.db2.gz PPRIOUYXDZDBIW-MJGOQNOKSA-N 1 0 377.488 3.597 20 30 GHEDRO CN1CCC2(CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)C1=O ZINC001141295499 1024431904 /nfs/dbraw/zinc/43/19/04/1024431904.db2.gz DOGVQWVPMSDBHL-UHFFFAOYSA-N 1 0 375.472 3.795 20 30 GHEDRO C#CCOc1ccc(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1OC ZINC001138345164 1024706436 /nfs/dbraw/zinc/70/64/36/1024706436.db2.gz KOOWLXUPFSDGRB-BGWNEDDSSA-N 1 0 399.531 3.646 20 30 GHEDRO CC(C)(C)C(=O)Nc1cnccc1CN1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001138456557 1024881027 /nfs/dbraw/zinc/88/10/27/1024881027.db2.gz VGGHEBCIPTUBKG-IBGZPJMESA-N 1 0 392.503 3.981 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)cc1 ZINC001138557587 1025018805 /nfs/dbraw/zinc/01/88/05/1025018805.db2.gz MPRUDZALYMPUSH-GOTSBHOMSA-N 1 0 377.484 3.867 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cncn3Cc3ccccc3)C2)C1 ZINC001138561363 1025025090 /nfs/dbraw/zinc/02/50/90/1025025090.db2.gz NPBUXJATRUNFBG-HSZRJFAPSA-N 1 0 394.519 3.542 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)C2 ZINC001138573974 1025050065 /nfs/dbraw/zinc/05/00/65/1025050065.db2.gz VAMFXBDDZGICFU-KNQAVFIVSA-N 1 0 375.509 3.809 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001138609885 1025100268 /nfs/dbraw/zinc/10/02/68/1025100268.db2.gz IFXIUSBHBNCBND-QHCPKHFHSA-N 1 0 383.536 3.897 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)c1O ZINC001138627352 1025127475 /nfs/dbraw/zinc/12/74/75/1025127475.db2.gz CYJIPDZEOWQIGE-QFIPXVFZSA-N 1 0 376.500 3.916 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)c1O ZINC001138627580 1025129235 /nfs/dbraw/zinc/12/92/35/1025129235.db2.gz MLFNQFYFXGLXIZ-AOHZBQACSA-N 1 0 394.515 3.712 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC001138648884 1025161135 /nfs/dbraw/zinc/16/11/35/1025161135.db2.gz GTLLLTYOUBEFTI-JOCHJYFZSA-N 1 0 382.483 3.545 20 30 GHEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001138663680 1025185891 /nfs/dbraw/zinc/18/58/91/1025185891.db2.gz BQUBLIRCBRIGHC-HDICACEKSA-N 1 0 397.544 3.692 20 30 GHEDRO C#Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000838724545 1025325860 /nfs/dbraw/zinc/32/58/60/1025325860.db2.gz RLIGWAPFMIFEJL-WMZHIEFXSA-N 1 0 375.516 3.862 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001161970955 1025516280 /nfs/dbraw/zinc/51/62/80/1025516280.db2.gz RJTYSEIGFFBWQN-UHFFFAOYSA-N 1 0 392.890 3.961 20 30 GHEDRO COc1cccc(C2(NC(F)(F)c3ccc(C#N)c(Cl)n3)CC[NH2+]CC2)c1 ZINC001161991865 1025526030 /nfs/dbraw/zinc/52/60/30/1025526030.db2.gz COPFBMXSEWMAEZ-UHFFFAOYSA-N 1 0 392.837 3.533 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC001138908550 1025562214 /nfs/dbraw/zinc/56/22/14/1025562214.db2.gz SUUMSEXYGZJBLS-FQEVSTJZSA-N 1 0 380.435 3.899 20 30 GHEDRO CC#CC[NH+]1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2)CC1 ZINC000839178044 1025687233 /nfs/dbraw/zinc/68/72/33/1025687233.db2.gz AKWNOBKKNUBXLT-UHFFFAOYSA-N 1 0 386.540 3.727 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)ccc1C#N ZINC000839184945 1025696914 /nfs/dbraw/zinc/69/69/14/1025696914.db2.gz NYUWNHQESKLZAM-CEXWTWQISA-N 1 0 385.508 3.692 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1C#N ZINC000839186725 1025700854 /nfs/dbraw/zinc/70/08/54/1025700854.db2.gz OIDNTEQQFDIBNT-NZSAHSFTSA-N 1 0 385.508 3.692 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001139028533 1025796530 /nfs/dbraw/zinc/79/65/30/1025796530.db2.gz WOGWZHCJRQQPPC-LADGPHEKSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001139032608 1025804722 /nfs/dbraw/zinc/80/47/22/1025804722.db2.gz QUJIYVXBFUFVOL-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)C1 ZINC001139071846 1025872731 /nfs/dbraw/zinc/87/27/31/1025872731.db2.gz BROGCOVNZVRSKL-HXUWFJFHSA-N 1 0 392.883 3.679 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C2 ZINC001139113350 1025920259 /nfs/dbraw/zinc/92/02/59/1025920259.db2.gz HLCJMKDOGAIPJQ-NRFANRHFSA-N 1 0 392.927 3.890 20 30 GHEDRO N#CCCN(C(=O)c1ccc(N2C[C@H]([NH3+])Cc3ccccc32)nc1)c1ccccc1 ZINC001162846889 1025938359 /nfs/dbraw/zinc/93/83/59/1025938359.db2.gz CGIOYHUZXYUIEC-HXUWFJFHSA-N 1 0 397.482 3.664 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1(C)C ZINC001162903807 1025960400 /nfs/dbraw/zinc/96/04/00/1025960400.db2.gz FQTWXTNISUZSPD-NHCUHLMSSA-N 1 0 377.488 3.596 20 30 GHEDRO c1ccc(C(=Nc2ccc(NC[C@]34C[NH2+]C[C@H]3COC4)cn2)c2ccccc2)cc1 ZINC001163160656 1026072372 /nfs/dbraw/zinc/07/23/72/1026072372.db2.gz YBFXFUHKGXLXPP-OFVILXPXSA-N 1 0 398.510 3.899 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141654691 1026089393 /nfs/dbraw/zinc/08/93/93/1026089393.db2.gz GUOVNKPPHYOYAM-UONOGXRCSA-N 1 0 395.194 3.548 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001163315538 1026140321 /nfs/dbraw/zinc/14/03/21/1026140321.db2.gz PBZGYUNCKRCZLF-HNNXBMFYSA-N 1 0 381.911 3.809 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001163472235 1026207184 /nfs/dbraw/zinc/20/71/84/1026207184.db2.gz XISZMJFLFHAJCU-UHFFFAOYSA-N 1 0 389.837 3.999 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001163472068 1026207325 /nfs/dbraw/zinc/20/73/25/1026207325.db2.gz RRKONFGZAPFERJ-LJQANCHMSA-N 1 0 388.450 3.760 20 30 GHEDRO CN(CCC[NH+](C)C)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001163600754 1026247086 /nfs/dbraw/zinc/24/70/86/1026247086.db2.gz OMUYZQANUMYXQF-UHFFFAOYSA-N 1 0 379.842 3.601 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001139387429 1026255062 /nfs/dbraw/zinc/25/50/62/1026255062.db2.gz OBGOUMHHEYNFQS-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO CC(=O)N1CCCCC12CC[NH+](Cc1ccc(-c3cc(C#N)ccn3)cc1)CC2 ZINC001139403083 1026274103 /nfs/dbraw/zinc/27/41/03/1026274103.db2.gz HGMUYOKXCYGCTM-UHFFFAOYSA-N 1 0 388.515 3.987 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)c1 ZINC001139406090 1026278661 /nfs/dbraw/zinc/27/86/61/1026278661.db2.gz MBGXPEDALCCJOZ-UHFFFAOYSA-N 1 0 379.467 3.814 20 30 GHEDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405970 1026278722 /nfs/dbraw/zinc/27/87/22/1026278722.db2.gz HOOWQKCFVBXNSC-HXUWFJFHSA-N 1 0 386.455 3.677 20 30 GHEDRO Cc1cc(OC2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)ncn1 ZINC001139406447 1026278955 /nfs/dbraw/zinc/27/89/55/1026278955.db2.gz SYPZZDMWQFKPTE-UHFFFAOYSA-N 1 0 385.471 3.762 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCC(Oc4ncc(F)cn4)CC3)cc2)c1 ZINC001139406091 1026279078 /nfs/dbraw/zinc/27/90/78/1026279078.db2.gz MBHWQGCVBNDULU-UHFFFAOYSA-N 1 0 389.434 3.593 20 30 GHEDRO COC(=O)c1cc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c(N(C)C)cc1OC ZINC001163680321 1026280973 /nfs/dbraw/zinc/28/09/73/1026280973.db2.gz OCDYZZZYLVDSOK-UHFFFAOYSA-N 1 0 395.381 3.604 20 30 GHEDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139425611 1026296688 /nfs/dbraw/zinc/29/66/88/1026296688.db2.gz BSUHKXLHUOFYOH-HSZRJFAPSA-N 1 0 390.487 3.722 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(N3CCC(COCC[NH+]4CCCC4)CC3)nc21 ZINC001163885280 1026351233 /nfs/dbraw/zinc/35/12/33/1026351233.db2.gz CPJBMOWHZLFJRO-UHFFFAOYSA-N 1 0 396.579 3.896 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1Cl ZINC001139614280 1026479216 /nfs/dbraw/zinc/47/92/16/1026479216.db2.gz YLRQAUSSYZIUPI-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)n3cnc4c3C[NH2+]CC4)cnc2Cl)cc1 ZINC001164317423 1026482423 /nfs/dbraw/zinc/48/24/23/1026482423.db2.gz SICXTSOAYYAIDO-UHFFFAOYSA-N 1 0 385.805 3.713 20 30 GHEDRO CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001139636510 1026499824 /nfs/dbraw/zinc/49/98/24/1026499824.db2.gz CMLQQRAOWOYHNB-OTWHNJEPSA-N 1 0 395.588 3.650 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC001139648956 1026511211 /nfs/dbraw/zinc/51/12/11/1026511211.db2.gz IIGTZOBZKZTCTC-GOTSBHOMSA-N 1 0 395.478 3.680 20 30 GHEDRO COCC[N@H+](Cc1cc(C#N)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139649611 1026511299 /nfs/dbraw/zinc/51/12/99/1026511299.db2.gz SCUXHHGJAAOAIO-UHFFFAOYSA-N 1 0 391.487 3.545 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CCC4(C3)CCN(C(=O)c3cccnc3)CC4)c[nH]c21 ZINC001139702147 1026547118 /nfs/dbraw/zinc/54/71/18/1026547118.db2.gz XXCSCMNCWHRGTE-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(C[C@@H](Oc5cccnc5)CO4)CC3)c[nH]c21 ZINC001139704849 1026549678 /nfs/dbraw/zinc/54/96/78/1026549678.db2.gz ZKKLJGSVGFZISU-HXUWFJFHSA-N 1 0 388.471 3.637 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@]4(CC(=O)N(c5cccc(F)c5)C4)C3)c[nH]c21 ZINC001139705293 1026550030 /nfs/dbraw/zinc/55/00/30/1026550030.db2.gz OWEJRHFWUYKQSO-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO C=CCn1c(SCC[NH+]2CCC(C)CC2)nc2sc3c(c2c1=O)CCC3 ZINC001164587272 1026560469 /nfs/dbraw/zinc/56/04/69/1026560469.db2.gz CTSZCEHFJHPAPR-UHFFFAOYSA-N 1 0 389.590 3.957 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)cc1C#N ZINC001139724496 1026567233 /nfs/dbraw/zinc/56/72/33/1026567233.db2.gz UIUCNWIIBRBQOV-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)cc1C#N ZINC001139724494 1026567703 /nfs/dbraw/zinc/56/77/03/1026567703.db2.gz UIUCNWIIBRBQOV-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC001139723850 1026567746 /nfs/dbraw/zinc/56/77/46/1026567746.db2.gz HTGGPPZKCRWBOM-UHFFFAOYSA-N 1 0 393.531 3.980 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)cc1C#N ZINC001139725564 1026570100 /nfs/dbraw/zinc/57/01/00/1026570100.db2.gz UUXLQZIKALGVPC-XZOQPEGZSA-N 1 0 377.488 3.602 20 30 GHEDRO C[NH+](C)C[C@H]1CCCN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001165074572 1026588298 /nfs/dbraw/zinc/58/82/98/1026588298.db2.gz NCISWDINXZTCAI-OAHLLOKOSA-N 1 0 391.853 3.744 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)c1 ZINC001139877199 1026693679 /nfs/dbraw/zinc/69/36/79/1026693679.db2.gz AJTMYDKVWFYVTH-OAQYLSRUSA-N 1 0 383.492 3.887 20 30 GHEDRO Cc1cccc(N(c2ncc3c(c2C#N)CCCC3)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165767265 1026827271 /nfs/dbraw/zinc/82/72/71/1026827271.db2.gz QODJXRBSZVUJAV-HYBUGGRVSA-N 1 0 388.515 3.800 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(O)cccc1Br)CC2 ZINC001140099693 1026877782 /nfs/dbraw/zinc/87/77/82/1026877782.db2.gz QHRAKTGFSRURNZ-IBGZPJMESA-N 1 0 393.325 3.688 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1ccc(C#N)cc1F)CC2 ZINC001140136462 1026909662 /nfs/dbraw/zinc/90/96/62/1026909662.db2.gz BMDAUZBSPMKURD-UHFFFAOYSA-N 1 0 382.483 3.933 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001166902148 1027142840 /nfs/dbraw/zinc/14/28/40/1027142840.db2.gz GJXQQQYESRCEDP-QGZVFWFLSA-N 1 0 383.883 3.762 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2cc(O)ccc2Br)CC1 ZINC001203314015 1027270443 /nfs/dbraw/zinc/27/04/43/1027270443.db2.gz HZSYXHMXMYVDDF-UHFFFAOYSA-N 1 0 386.293 3.785 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)C2CC(C)(C)C2)c1=S ZINC000840164700 1027298413 /nfs/dbraw/zinc/29/84/13/1027298413.db2.gz TYDKXNAPFFSTSI-UHFFFAOYSA-N 1 0 377.602 3.706 20 30 GHEDRO C=C(C)c1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC001210299224 1027435293 /nfs/dbraw/zinc/43/52/93/1027435293.db2.gz CCEWDQNAQYQBHF-QFIPXVFZSA-N 1 0 379.504 3.998 20 30 GHEDRO COc1cc(C[NH2+]CCOC(F)(F)C(F)(F)F)ccc1OCC(F)(F)F ZINC001203565461 1027437128 /nfs/dbraw/zinc/43/71/28/1027437128.db2.gz CGELZJSWUPNDFO-UHFFFAOYSA-N 1 0 397.262 3.898 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC001203639803 1027499750 /nfs/dbraw/zinc/49/97/50/1027499750.db2.gz KSZHKYINAJLGDY-RBUKOAKNSA-N 1 0 396.325 3.728 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC001203727011 1027555870 /nfs/dbraw/zinc/55/58/70/1027555870.db2.gz DKVZYOCOBWJIFW-SJLPKXTDSA-N 1 0 390.524 3.853 20 30 GHEDRO C[NH2+]CC1CN(Cc2cc(Oc3ccc(C#N)cc3)ccc2Br)C1 ZINC001210560938 1027556060 /nfs/dbraw/zinc/55/60/60/1027556060.db2.gz GDOGEFRXORWUOE-UHFFFAOYSA-N 1 0 386.293 3.764 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccc(C#N)c3)CC2)Oc2ccccc21 ZINC001203760212 1027582262 /nfs/dbraw/zinc/58/22/62/1027582262.db2.gz FAOXPOCDZPALQZ-FQEVSTJZSA-N 1 0 389.499 3.595 20 30 GHEDRO COc1cccc(-c2cc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)on2)c1 ZINC001203830853 1027640996 /nfs/dbraw/zinc/64/09/96/1027640996.db2.gz NUKODJXWFIQFLD-UHFFFAOYSA-N 1 0 388.471 3.980 20 30 GHEDRO C[NH+]1CCC(n2cc(Nc3ccc(Br)c(F)c3C#N)cn2)CC1 ZINC001210760344 1027641813 /nfs/dbraw/zinc/64/18/13/1027641813.db2.gz DJMUHYNXTHQARQ-UHFFFAOYSA-N 1 0 378.249 3.667 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc(OC)c1OC ZINC001203846979 1027652879 /nfs/dbraw/zinc/65/28/79/1027652879.db2.gz SJCXAPPZODYFEE-IBGZPJMESA-N 1 0 382.460 3.627 20 30 GHEDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cccc(OCc4ccccc4C#N)c3)C[C@@H]2O1 ZINC001203881962 1027677510 /nfs/dbraw/zinc/67/75/10/1027677510.db2.gz RMDBYQRMFKWBDK-MMVMTREESA-N 1 0 378.472 3.909 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc1 ZINC001203904052 1027696724 /nfs/dbraw/zinc/69/67/24/1027696724.db2.gz RQJAEMFVQQUSEP-XMMPIXPASA-N 1 0 386.499 3.549 20 30 GHEDRO CC(C)(C)OC(=O)CC[NH+](CCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001203906376 1027698226 /nfs/dbraw/zinc/69/82/26/1027698226.db2.gz PMLBESSMLJVGKW-UHFFFAOYSA-N 1 0 388.508 3.824 20 30 GHEDRO C[NH2+]Cc1ccc(Nc2c(C#N)cnn2-c2ccc(Br)cc2)cc1 ZINC001211128942 1027801070 /nfs/dbraw/zinc/80/10/70/1027801070.db2.gz NHWHBDDALAOJON-UHFFFAOYSA-N 1 0 382.265 3.969 20 30 GHEDRO C[NH2+]Cc1ccc(Nc2ccc(CC#N)cc2I)cc1 ZINC001211131842 1027802457 /nfs/dbraw/zinc/80/24/57/1027802457.db2.gz ULZBZJQSLQCHQD-UHFFFAOYSA-N 1 0 377.229 3.820 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1 ZINC000840800254 1027837260 /nfs/dbraw/zinc/83/72/60/1027837260.db2.gz FFBNYIPFMSZZIM-APWZRJJASA-N 1 0 395.927 3.884 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H](O)[C@@H]([NH3+])Cc3ccccc3)n2)cc1Cl ZINC001211381467 1027932196 /nfs/dbraw/zinc/93/21/96/1027932196.db2.gz HUXREBDDLHJVQL-HOTGVXAUSA-N 1 0 389.242 3.518 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C2 ZINC001142167637 1028284210 /nfs/dbraw/zinc/28/42/10/1028284210.db2.gz JLHFHXOXCKTJET-IRLDBZIGSA-N 1 0 375.557 3.829 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1cc(C(F)(F)F)ccc1C#N ZINC001213895888 1028437430 /nfs/dbraw/zinc/43/74/30/1028437430.db2.gz IKGWDICNNLXOLN-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)OCCCO3)[C@H]2CC ZINC001142254641 1028500098 /nfs/dbraw/zinc/50/00/98/1028500098.db2.gz OCZLMLFQLFXMQW-GMAHTHKFSA-N 1 0 384.520 3.770 20 30 GHEDRO CCOC(=O)c1cnc(N=NC2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)nc1C ZINC000841630671 1028791550 /nfs/dbraw/zinc/79/15/50/1028791550.db2.gz LAAHFBQTUNKBGV-HXUWFJFHSA-N 1 0 393.491 3.729 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3nc(-c4ccc(C#N)c5ccccc45)no3)nc2)CC1 ZINC001214676018 1028854910 /nfs/dbraw/zinc/85/49/10/1028854910.db2.gz UASSGGMZCKLWKN-UHFFFAOYSA-N 1 0 396.454 3.575 20 30 GHEDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC001461443923 1069552174 /nfs/dbraw/zinc/55/21/74/1069552174.db2.gz JMSFBDCFFPAFJD-UHFFFAOYSA-N 1 0 380.448 3.958 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000841819440 1028966608 /nfs/dbraw/zinc/96/66/08/1028966608.db2.gz ZPALSSGRWZFVDO-TZIWHRDSSA-N 1 0 380.492 3.647 20 30 GHEDRO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](NC(=O)C1CC1)c1ccnc2ccc(OC)cc21 ZINC001142680703 1029257722 /nfs/dbraw/zinc/25/77/22/1029257722.db2.gz UPOFSQDJROBSNB-DUBAVSPVSA-N 1 0 391.515 3.707 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC000842681952 1029487741 /nfs/dbraw/zinc/48/77/41/1029487741.db2.gz KQIKMXVDKFSKCQ-CMKODMSKSA-N 1 0 377.573 3.652 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001216441527 1029640728 /nfs/dbraw/zinc/64/07/28/1029640728.db2.gz GRMJVGFFVHQTHZ-UHFFFAOYSA-N 1 0 384.524 3.931 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3csc(Br)c3)CC2)C1=O ZINC001276742830 1029684498 /nfs/dbraw/zinc/68/44/98/1029684498.db2.gz JKSCHSZPGJZULD-KRWDZBQOSA-N 1 0 383.355 3.901 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)CC[C@@H]21 ZINC001142915999 1029688636 /nfs/dbraw/zinc/68/86/36/1029688636.db2.gz LOMOOXOZCDBPIW-JXFKEZNVSA-N 1 0 380.492 3.871 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4c[nH]c5cc(C#N)ccc45)C3)C2=O)c1 ZINC001142917056 1029690100 /nfs/dbraw/zinc/69/01/00/1029690100.db2.gz QNOADXNFTWXIED-RUZDIDTESA-N 1 0 398.510 3.973 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC(c4noc(C(F)(F)F)n4)CC3)c[nH]c2c1 ZINC001142921827 1029697142 /nfs/dbraw/zinc/69/71/42/1029697142.db2.gz WTBNRIVBWUKYET-UHFFFAOYSA-N 1 0 375.354 3.821 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001142922662 1029698127 /nfs/dbraw/zinc/69/81/27/1029698127.db2.gz PTZHEEXJJISXRV-CWPLJXCYSA-N 1 0 380.492 3.775 20 30 GHEDRO CCCc1c(NC(=O)NCCC[N@H+](C)CC(C)C)cnn1-c1cccc(C#N)c1 ZINC001216753101 1029919077 /nfs/dbraw/zinc/91/90/77/1029919077.db2.gz NZUQROHSGRDRIR-UHFFFAOYSA-N 1 0 396.539 3.796 20 30 GHEDRO CSc1ccc(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC001222210835 1030006371 /nfs/dbraw/zinc/00/63/71/1030006371.db2.gz KAJURXMRTWJIKV-IAGOWNOFSA-N 1 0 388.581 3.837 20 30 GHEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C12CCC2 ZINC001149205936 1030091781 /nfs/dbraw/zinc/09/17/81/1030091781.db2.gz NGEFZLPRVKKEPX-SFTDATJTSA-N 1 0 375.472 3.953 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217715334 1030623347 /nfs/dbraw/zinc/62/33/47/1030623347.db2.gz WKYIYDTUFXSSMS-FHWLQOOXSA-N 1 0 378.863 3.978 20 30 GHEDRO CC(C)COc1ccc(-c2nnc(C[C@@H]([NH3+])Cc3ccccc3C#N)o2)cc1 ZINC001217713714 1030623429 /nfs/dbraw/zinc/62/34/29/1030623429.db2.gz AABCOJOAVVPOOA-IBGZPJMESA-N 1 0 376.460 3.756 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3C[NH2+]CCC[C@@H]3F)c3ccccc23)ccc1F ZINC001217980490 1030703531 /nfs/dbraw/zinc/70/35/31/1030703531.db2.gz KXILOLYNICIQFQ-FPOVZHCZSA-N 1 0 394.425 3.700 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001217988946 1030708545 /nfs/dbraw/zinc/70/85/45/1030708545.db2.gz DRNBGRUZTZYNDK-OYHNWAKOSA-N 1 0 390.462 3.998 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1CCC[NH2+]CC1 ZINC001217998600 1030715684 /nfs/dbraw/zinc/71/56/84/1030715684.db2.gz BCXUETPIPUZPGL-GOSISDBHSA-N 1 0 375.472 3.635 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3C[NH2+]CC[C@H]3C)c(C#N)c2)nc1C ZINC001218043771 1030738221 /nfs/dbraw/zinc/73/82/21/1030738221.db2.gz METSNGOWIBDLPZ-SJKOYZFVSA-N 1 0 385.489 3.544 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@H]2CC[NH2+]C[C@H]2F)c(OC)c1 ZINC001218069370 1030753937 /nfs/dbraw/zinc/75/39/37/1030753937.db2.gz IAEWCOLPODPGEK-UNQHYNRVSA-N 1 0 391.483 3.896 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(O[C@@H]2CCC23CC[NH2+]CC3)c1 ZINC001218080145 1030760517 /nfs/dbraw/zinc/76/05/17/1030760517.db2.gz BPWHIRHDKCYIJV-GUBQRQEFSA-N 1 0 393.439 3.625 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218123225 1030785142 /nfs/dbraw/zinc/78/51/42/1030785142.db2.gz MGVXEKUGYPGEHH-YKSBVNFPSA-N 1 0 387.483 3.635 20 30 GHEDRO CCCCC/C=C/C(=O)CCc1ccc(OC[C@H]2C[NH2+]CCO2)c(OC)c1 ZINC001218177811 1030807704 /nfs/dbraw/zinc/80/77/04/1030807704.db2.gz PHDKCQAZVBLFOB-AQKVLALTSA-N 1 0 375.509 3.701 20 30 GHEDRO O=C(/C=C/c1ccc(OC[C@H]2C[NH2+]CCO2)cc1)CCCCc1ccc(O)cc1 ZINC001218176418 1030808056 /nfs/dbraw/zinc/80/80/56/1030808056.db2.gz HKXUPPKVOFZECJ-VFUOJUBFSA-N 1 0 395.499 3.755 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1 ZINC001218200794 1030821394 /nfs/dbraw/zinc/82/13/94/1030821394.db2.gz IYPGROXGMJJSTQ-AUSIDOKSSA-N 1 0 386.451 3.768 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(OC2CC3(CC[NH2+]3)C2)c(O)c1 ZINC001218249649 1030851442 /nfs/dbraw/zinc/85/14/42/1030851442.db2.gz UKDREXFLVIXIQK-UHFFFAOYSA-N 1 0 377.481 3.888 20 30 GHEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001461711458 1069694906 /nfs/dbraw/zinc/69/49/06/1069694906.db2.gz GSIHYQFRZDWEGI-WCQYABFASA-N 1 0 378.822 3.993 20 30 GHEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001461711464 1069695004 /nfs/dbraw/zinc/69/50/04/1069695004.db2.gz GSIHYQFRZDWEGI-YPMHNXCESA-N 1 0 378.822 3.993 20 30 GHEDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001218318183 1030891644 /nfs/dbraw/zinc/89/16/44/1030891644.db2.gz VTRFKFQINFZTQX-NMQRCDEWSA-N 1 0 395.455 3.523 20 30 GHEDRO CCOC(=O)[C@@H](O[C@H]1CCN(Cc2ccccc2C#N)C1)c1ccccc1F ZINC001224153722 1030904941 /nfs/dbraw/zinc/90/49/41/1030904941.db2.gz IPOUSSZPWXHUQR-RXVVDRJESA-N 1 0 382.435 3.593 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3CC[NH2+]C[C@@H]3C)c2)cc1OC ZINC001218414998 1030929713 /nfs/dbraw/zinc/92/97/13/1030929713.db2.gz NZFGLETZBAJYMD-DKVMZHSISA-N 1 0 381.472 3.977 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC001218418821 1030931907 /nfs/dbraw/zinc/93/19/07/1030931907.db2.gz WZTXYCYCGVPAHV-AUNGOPJYSA-N 1 0 381.472 3.977 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218460200 1030946611 /nfs/dbraw/zinc/94/66/11/1030946611.db2.gz KLQBMGGZANFIKQ-BVTBMNCJSA-N 1 0 391.515 3.697 20 30 GHEDRO Cc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218472186 1030952045 /nfs/dbraw/zinc/95/20/45/1030952045.db2.gz KLIVYRXMQZSARC-IKCOEUIHSA-N 1 0 393.483 3.988 20 30 GHEDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)c1 ZINC001218553161 1030984234 /nfs/dbraw/zinc/98/42/34/1030984234.db2.gz OFXSBZBGVNRFDK-UHFFFAOYSA-N 1 0 392.484 3.631 20 30 GHEDRO O=C(Nc1cccc(OC(F)(F)C(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001218815664 1031093211 /nfs/dbraw/zinc/09/32/11/1031093211.db2.gz DIZWYYLKKVQOGF-LDYMZIIASA-N 1 0 388.283 3.792 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](OCCCC(=O)OCc2ccccc2)C1 ZINC001224737168 1031096526 /nfs/dbraw/zinc/09/65/26/1031096526.db2.gz VIDLIJUOPCMEOS-QFIPXVFZSA-N 1 0 378.472 3.673 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cnc3OC(C)C)C2)C1=O ZINC001276997289 1031121827 /nfs/dbraw/zinc/12/18/27/1031121827.db2.gz UYWLHMGYIKKUHT-FQEVSTJZSA-N 1 0 377.916 3.523 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C#N ZINC001224826607 1031138616 /nfs/dbraw/zinc/13/86/16/1031138616.db2.gz RAYPWSIEFDVYQD-QHAWAJNXSA-N 1 0 399.535 3.817 20 30 GHEDRO Cc1ccc(CSC[C@H]([NH3+])C(=O)Nc2ccc3nc(C#N)sc3c2)cc1 ZINC001218910991 1031147574 /nfs/dbraw/zinc/14/75/74/1031147574.db2.gz UPHJXDZHRSSNFB-HNNXBMFYSA-N 1 0 382.514 3.676 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)C3=CC4(CC[NH2+]CC4)c4ccccc43)cc2s1 ZINC001218910113 1031148097 /nfs/dbraw/zinc/14/80/97/1031148097.db2.gz FEXKYUUOWMIECK-UHFFFAOYSA-N 1 0 386.480 3.825 20 30 GHEDRO N#Cc1cc(NC(=O)C[C@H](O)[C@@H]([NH3+])CC2CCCCC2)ccc1N1CCCCC1 ZINC001218944759 1031168466 /nfs/dbraw/zinc/16/84/66/1031168466.db2.gz PTCWVBUYYVXAKI-UNMCSNQZSA-N 1 0 398.551 3.536 20 30 GHEDRO COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N)oc1ccccc12 ZINC001218964469 1031182676 /nfs/dbraw/zinc/18/26/76/1031182676.db2.gz UCBBYIHZJXSVQZ-SFHVURJKSA-N 1 0 385.423 3.975 20 30 GHEDRO Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Cc4ccccc4C#N)C[NH2+]3)c(C)cc2s1 ZINC001219105534 1031255261 /nfs/dbraw/zinc/25/52/61/1031255261.db2.gz LDTBGYSOWYUTSH-QRWLVFNGSA-N 1 0 390.512 3.944 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001219107524 1031256094 /nfs/dbraw/zinc/25/60/94/1031256094.db2.gz KYWYFURZCUWLOS-FQEVSTJZSA-N 1 0 389.430 3.881 20 30 GHEDRO CCc1cc(NC(=O)[C@@H]2Oc3ccccc3C23CC[NH2+]CC3)cc(CC)c1C#N ZINC001219112876 1031257909 /nfs/dbraw/zinc/25/79/09/1031257909.db2.gz YKAVUWVFUQKMKO-QFIPXVFZSA-N 1 0 389.499 3.704 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2cc(OC)c(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001219581504 1031509224 /nfs/dbraw/zinc/50/92/24/1031509224.db2.gz PMMSAWSRLXPOQH-SFHVURJKSA-N 1 0 396.466 3.834 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1OCC ZINC001461783461 1069744778 /nfs/dbraw/zinc/74/47/78/1069744778.db2.gz VCSWSNCMBFBVPP-LHAWGNPOSA-N 1 0 394.309 3.678 20 30 GHEDRO N#CCc1ccnc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001219701239 1031563929 /nfs/dbraw/zinc/56/39/29/1031563929.db2.gz KMWQKIHDYJMCOM-FQEVSTJZSA-N 1 0 377.492 3.571 20 30 GHEDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC001219885314 1031674732 /nfs/dbraw/zinc/67/47/32/1031674732.db2.gz BBJBYRLRORMHJO-INIZCTEOSA-N 1 0 376.451 3.955 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(F)(F)F)c1 ZINC001219911312 1031689434 /nfs/dbraw/zinc/68/94/34/1031689434.db2.gz CWCMBFOQAXDZQU-SJLPKXTDSA-N 1 0 394.441 3.868 20 30 GHEDRO O=C(N=C(NO)c1ccc(OC(F)(F)F)cc1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001219915750 1031692337 /nfs/dbraw/zinc/69/23/37/1031692337.db2.gz AHGDLYJILATWCJ-INIZCTEOSA-N 1 0 393.365 3.576 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001220006373 1031741954 /nfs/dbraw/zinc/74/19/54/1031741954.db2.gz VVALSTSGCJDSHG-KDURUIRLSA-N 1 0 378.451 3.602 20 30 GHEDRO C=C[C@@H]1C[C@]1([NH3+])C(=O)N[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC001220094611 1031783169 /nfs/dbraw/zinc/78/31/69/1031783169.db2.gz BARWFWCICHKCJQ-QFZRFWILSA-N 1 0 398.506 3.683 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)CC1 ZINC001220138508 1031798531 /nfs/dbraw/zinc/79/85/31/1031798531.db2.gz XTJFKYMTHLIVQU-UHFFFAOYSA-N 1 0 384.446 3.933 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)cc(OCC)c1 ZINC001277112192 1031882138 /nfs/dbraw/zinc/88/21/38/1031882138.db2.gz BEYOVYPPQDGNLX-QZTJIDSGSA-N 1 0 393.325 3.599 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCNc2ccc(C(F)(F)F)cn2)cc1OC ZINC001461823854 1069773285 /nfs/dbraw/zinc/77/32/85/1069773285.db2.gz BRXYSVYGHDAXNZ-UHFFFAOYSA-N 1 0 381.398 3.876 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC001220521029 1031974620 /nfs/dbraw/zinc/97/46/20/1031974620.db2.gz OHLIJMCZMXAQNT-NZQKXSOJSA-N 1 0 398.595 3.758 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001220664036 1032050983 /nfs/dbraw/zinc/05/09/83/1032050983.db2.gz UTQRKKXCYPWCRZ-HTAPYJJXSA-N 1 0 392.499 3.511 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC001220663897 1032051048 /nfs/dbraw/zinc/05/10/48/1032051048.db2.gz QMLBMQAPQDCWAV-YRISNDGFSA-N 1 0 399.560 3.655 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001229292355 1033394563 /nfs/dbraw/zinc/39/45/63/1033394563.db2.gz ROQOOJAHSPZCII-FQEVSTJZSA-N 1 0 379.907 3.541 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467128 1033425181 /nfs/dbraw/zinc/42/51/81/1033425181.db2.gz JRMCMHKNBWDDHW-UHFFFAOYSA-N 1 0 382.483 3.933 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)ccc1F ZINC001205467807 1033425225 /nfs/dbraw/zinc/42/52/25/1033425225.db2.gz XJLYGGLWPNNSJE-RBBKRZOGSA-N 1 0 381.451 3.542 20 30 GHEDRO CC(C)[NH+]1CCC(Oc2ccc(O)c3c2C(=O)C(Cl)=C(Cl)C3=O)CC1 ZINC001229380028 1033448711 /nfs/dbraw/zinc/44/87/11/1033448711.db2.gz YAUGTVKJEHIWMS-UHFFFAOYSA-N 1 0 384.259 3.712 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)C1 ZINC001229382934 1033450989 /nfs/dbraw/zinc/45/09/89/1033450989.db2.gz CMSOUXHKPXAHMY-FSLLGGKJSA-N 1 0 379.504 3.793 20 30 GHEDRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001206069123 1033708686 /nfs/dbraw/zinc/70/86/86/1033708686.db2.gz BQGZBAULWPWXOO-FQEVSTJZSA-N 1 0 389.540 3.804 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(I)cc2F)no1 ZINC001206094211 1033716089 /nfs/dbraw/zinc/71/60/89/1033716089.db2.gz AJPNUBKYZGAZLE-UHFFFAOYSA-N 1 0 399.207 3.589 20 30 GHEDRO C[C@H]1[C@@H]([NH3+])CCCN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001157749118 1033751864 /nfs/dbraw/zinc/75/18/64/1033751864.db2.gz XVKPEKUUQBRRGL-NHYWBVRUSA-N 1 0 377.826 3.530 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(C2(CC3CC3)CC[NH2+]CC2)n1 ZINC001206314415 1033791816 /nfs/dbraw/zinc/79/18/16/1033791816.db2.gz DZXBGGCBQMZTSL-UHFFFAOYSA-N 1 0 387.281 3.792 20 30 GHEDRO COc1cccc(N(c2ncccc2C#C[Si](C)(C)C)C2CC[NH2+]CC2)n1 ZINC001158054645 1033889685 /nfs/dbraw/zinc/88/96/85/1033889685.db2.gz XOLUYMQKHIOCFB-UHFFFAOYSA-N 1 0 380.568 3.604 20 30 GHEDRO N#Cc1cc(Cl)nnc1N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001158088883 1033909375 /nfs/dbraw/zinc/90/93/75/1033909375.db2.gz SSYIPTZNZCPBJS-UHFFFAOYSA-N 1 0 395.816 3.779 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C[N@@H+]1Cc1ccccc1 ZINC001230216689 1033947633 /nfs/dbraw/zinc/94/76/33/1033947633.db2.gz DPUXQHRJRAAELX-OAOOKAIFSA-N 1 0 388.515 3.898 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C(F)(F)c1ccnc(Cl)c1C#N ZINC001158292218 1034009500 /nfs/dbraw/zinc/00/95/00/1034009500.db2.gz IEFHFKWVPCIVMZ-UHFFFAOYSA-N 1 0 390.821 3.977 20 30 GHEDRO COc1ccnc(N(c2ncccc2C#C[Si](C)(C)C)C2CC[NH2+]CC2)c1 ZINC001158323006 1034022346 /nfs/dbraw/zinc/02/23/46/1034022346.db2.gz SBAIKRSFYRZVSE-UHFFFAOYSA-N 1 0 380.568 3.604 20 30 GHEDRO CC[C@@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001230384516 1034024911 /nfs/dbraw/zinc/02/49/11/1034024911.db2.gz KWZKYNABZCCDJG-JOCHJYFZSA-N 1 0 376.504 3.559 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(C)cc(Br)c3)CC2)C1=O ZINC001276511331 1034163250 /nfs/dbraw/zinc/16/32/50/1034163250.db2.gz RJHKYSAKWORQKS-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO Cc1nc(Cl)nc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)c1C#N ZINC001158670015 1034224811 /nfs/dbraw/zinc/22/48/11/1034224811.db2.gz KQRSMHJBUBWIST-UHFFFAOYSA-N 1 0 395.772 3.654 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1-n1cc(CC[NH3+])c2ncccc21 ZINC001158753514 1034260062 /nfs/dbraw/zinc/26/00/62/1034260062.db2.gz FNVLXIGCXYCTLR-UHFFFAOYSA-N 1 0 390.834 3.634 20 30 GHEDRO CC1(C)C[C@H](C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CCO1 ZINC001207357321 1034301760 /nfs/dbraw/zinc/30/17/60/1034301760.db2.gz KVDPEOXTNATNEQ-ZJSXRUAMSA-N 1 0 397.563 3.682 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc1C#N ZINC001231042322 1034359539 /nfs/dbraw/zinc/35/95/39/1034359539.db2.gz JDQXBALNPMJWSB-VGSWGCGISA-N 1 0 378.472 3.563 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCc3ccc(OC)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001207473679 1034384587 /nfs/dbraw/zinc/38/45/87/1034384587.db2.gz HDYMRSXZLPBTPL-NOZRDPDXSA-N 1 0 390.527 3.742 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3ccnc(OC)c3Cl)CC2)C1=O ZINC001277485827 1034392939 /nfs/dbraw/zinc/39/29/39/1034392939.db2.gz PUWDIBSICDEUHT-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001207493750 1034398358 /nfs/dbraw/zinc/39/83/58/1034398358.db2.gz RUJLTZYILYMMPA-MRXNPFEDSA-N 1 0 377.533 3.685 20 30 GHEDRO C#C[C@@H](CC)Oc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC001231101743 1034399028 /nfs/dbraw/zinc/39/90/28/1034399028.db2.gz RHRGIVLVWNPJEL-KRWDZBQOSA-N 1 0 388.443 3.878 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)C1=O ZINC001277487928 1034406026 /nfs/dbraw/zinc/40/60/26/1034406026.db2.gz TXZANDKCECRELL-FQEVSTJZSA-N 1 0 385.920 3.521 20 30 GHEDRO CCOC(=O)c1c(C)oc(Nc2ccc(COC3CC[NH2+]CC3)cc2)c1C#N ZINC001159260488 1034508487 /nfs/dbraw/zinc/50/84/87/1034508487.db2.gz OTXRDSLUECBIRK-UHFFFAOYSA-N 1 0 383.448 3.649 20 30 GHEDRO Cc1cc(C[NH+]2CCC3(CO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)ccc1C#N ZINC001207700200 1034533565 /nfs/dbraw/zinc/53/35/65/1034533565.db2.gz MXRZAUVASXPLCQ-HXUWFJFHSA-N 1 0 399.535 3.763 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)[C@H]2C1 ZINC001207789118 1034576313 /nfs/dbraw/zinc/57/63/13/1034576313.db2.gz UPHNMDVDFIUHSQ-XSDIEEQYSA-N 1 0 397.519 3.514 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207823610 1034601127 /nfs/dbraw/zinc/60/11/27/1034601127.db2.gz UBPKIXWRYIWRHE-VIQHNZTISA-N 1 0 383.483 3.891 20 30 GHEDRO COc1nc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c(F)cc1C#N ZINC001159562743 1034665781 /nfs/dbraw/zinc/66/57/81/1034665781.db2.gz XXDZPAGIOVQEKQ-QQGUTBHFSA-N 1 0 380.467 3.733 20 30 GHEDRO Cc1ccnc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)c1C#N ZINC001159577271 1034676435 /nfs/dbraw/zinc/67/64/35/1034676435.db2.gz PQKCHGVXAWMWJU-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO N#Cc1ccc(Nc2ccc3c(c2)CC[NH2+]C3)c(I)c1 ZINC001159703841 1034717589 /nfs/dbraw/zinc/71/75/89/1034717589.db2.gz PEPKPTSCBCMQQY-UHFFFAOYSA-N 1 0 375.213 3.552 20 30 GHEDRO C(#Cc1ccccc1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1)c1ccccc1 ZINC001231576907 1034728155 /nfs/dbraw/zinc/72/81/55/1034728155.db2.gz KDBZTQZPULLGEK-RUZDIDTESA-N 1 0 380.495 3.731 20 30 GHEDRO N#Cc1cc(Nc2cc(F)c(OC(F)F)c(F)c2)ccc1N1CC[NH2+]CC1 ZINC001159748643 1034731485 /nfs/dbraw/zinc/73/14/85/1034731485.db2.gz GUQKCQFHQGXHBE-UHFFFAOYSA-N 1 0 380.345 3.591 20 30 GHEDRO CC(C)COc1ncc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1Cl ZINC001159748901 1034732344 /nfs/dbraw/zinc/73/23/44/1034732344.db2.gz NWJJPMSPCQMGJH-UHFFFAOYSA-N 1 0 385.899 3.795 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001208118072 1034744168 /nfs/dbraw/zinc/74/41/68/1034744168.db2.gz CSLJBVXDMLLECR-GGWZCHKTSA-N 1 0 392.584 3.633 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2cccnc2)C1 ZINC001208118493 1034745270 /nfs/dbraw/zinc/74/52/70/1034745270.db2.gz JNCBVNWFFVZFDB-LHHKDIMGSA-N 1 0 399.579 3.951 20 30 GHEDRO CCCCCCC/C=C/C[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001208118088 1034745310 /nfs/dbraw/zinc/74/53/10/1034745310.db2.gz CZTUDOPCNVYNFN-MHNQQFQPSA-N 1 0 392.584 3.633 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001208121235 1034747224 /nfs/dbraw/zinc/74/72/24/1034747224.db2.gz ZIKBEFIKFGGWHY-DYJSLMBVSA-N 1 0 380.573 3.630 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)OCC(=O)N(c2cccnc2)[C@H]3C)CC1 ZINC001208175679 1034775890 /nfs/dbraw/zinc/77/58/90/1034775890.db2.gz YZKLDTPQSMWRPC-PZJWPPBQSA-N 1 0 395.547 3.971 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)N2CCCC2)CCO3)CC1 ZINC001208175674 1034776173 /nfs/dbraw/zinc/77/61/73/1034776173.db2.gz YQVUZOMPBHISFL-FUPPJEDESA-N 1 0 387.568 3.718 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC001231619595 1034778061 /nfs/dbraw/zinc/77/80/61/1034778061.db2.gz NXJXCXJHZAAPPD-OAQYLSRUSA-N 1 0 389.499 3.547 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)c1 ZINC001231623065 1034782564 /nfs/dbraw/zinc/78/25/64/1034782564.db2.gz SICKOBBSIVGNBB-QFIPXVFZSA-N 1 0 376.500 3.890 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC001231623317 1034783316 /nfs/dbraw/zinc/78/33/16/1034783316.db2.gz BISLEDMZYPBGPB-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001208224455 1034813614 /nfs/dbraw/zinc/81/36/14/1034813614.db2.gz YZBMUPMAIHQRNZ-ISKFKSNPSA-N 1 0 385.548 3.809 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC001231656995 1034814318 /nfs/dbraw/zinc/81/43/18/1034814318.db2.gz LEAQTELHTAIGMO-RPWUZVMVSA-N 1 0 376.500 3.651 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC001231656920 1034814469 /nfs/dbraw/zinc/81/44/69/1034814469.db2.gz IZQLJLMXCOQMJS-ISKFKSNPSA-N 1 0 376.500 3.651 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1OC(C)=O ZINC001231708473 1034851184 /nfs/dbraw/zinc/85/11/84/1034851184.db2.gz VUISXTIOAMYUNG-IBGZPJMESA-N 1 0 380.444 3.536 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2cc(F)cc(C#N)c2)CCOCC1)c1ccccc1 ZINC001208345915 1034865761 /nfs/dbraw/zinc/86/57/61/1034865761.db2.gz FUIJNRAHWIZBPO-INIZCTEOSA-N 1 0 396.466 3.719 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001160196155 1034899309 /nfs/dbraw/zinc/89/93/09/1034899309.db2.gz SOGRCCJGLBJUBD-VIFPVBQESA-N 1 0 385.201 3.536 20 30 GHEDRO N#Cc1cc(Br)c(Cl)cc1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001160199977 1034899708 /nfs/dbraw/zinc/89/97/08/1034899708.db2.gz VHLJNBOPUIISMM-UHFFFAOYSA-N 1 0 392.688 3.522 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2c3ccccc3OC[C@@H]2C[NH3+])cc1 ZINC001160207761 1034901579 /nfs/dbraw/zinc/90/15/79/1034901579.db2.gz YGFKJOGADLYTQP-AWEZNQCLSA-N 1 0 393.834 3.652 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(F)cc1F ZINC001208476108 1034909566 /nfs/dbraw/zinc/90/95/66/1034909566.db2.gz JWHRESWEZUTVPU-UHFFFAOYSA-N 1 0 376.451 3.956 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001231820050 1034928263 /nfs/dbraw/zinc/92/82/63/1034928263.db2.gz KZIHPYOVPBCQLN-LJQANCHMSA-N 1 0 386.540 3.725 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1 ZINC001231819666 1034928321 /nfs/dbraw/zinc/92/83/21/1034928321.db2.gz QMNDLNQEJGTHRW-FPOVZHCZSA-N 1 0 395.576 3.589 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001231820657 1034929412 /nfs/dbraw/zinc/92/94/12/1034929412.db2.gz RBKQHNFGXJCKGW-WOJBJXKFSA-N 1 0 398.551 3.725 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](C[C@@H]1CCCCN1Cc1ccccc1)CC2 ZINC001208586854 1034943780 /nfs/dbraw/zinc/94/37/80/1034943780.db2.gz YSSNJPSJWFAIJD-QFIPXVFZSA-N 1 0 381.564 3.684 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208588596 1034945091 /nfs/dbraw/zinc/94/50/91/1034945091.db2.gz JEIDKBQQVHMDFV-JTHBVZDNSA-N 1 0 394.563 3.577 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001160737982 1035049735 /nfs/dbraw/zinc/04/97/35/1035049735.db2.gz LMKNIDFGWGADPG-VQTJNVASSA-N 1 0 381.907 3.976 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCCc3ccccc3Br)C2)C1=O ZINC001208841965 1035052210 /nfs/dbraw/zinc/05/22/10/1035052210.db2.gz AKHLJZOZDPVTEM-HXUWFJFHSA-N 1 0 391.353 3.882 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c1 ZINC001208849324 1035057457 /nfs/dbraw/zinc/05/74/57/1035057457.db2.gz CUVWXNBCLFFDJQ-RBZQAINGSA-N 1 0 391.515 3.725 20 30 GHEDRO COC(=O)c1ccc(OC2CC[NH+](CCCc3ccc(C#N)cc3)CC2)cc1 ZINC001208858474 1035062671 /nfs/dbraw/zinc/06/26/71/1035062671.db2.gz LKHWNIQIDJKPCL-UHFFFAOYSA-N 1 0 378.472 3.821 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1 ZINC001208861829 1035064380 /nfs/dbraw/zinc/06/43/80/1035064380.db2.gz PSCJBWNDSDSGEX-HSZRJFAPSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cc1 ZINC001208862037 1035064770 /nfs/dbraw/zinc/06/47/70/1035064770.db2.gz SDYAIHCMMJFACT-RZUBCFFCSA-N 1 0 397.544 3.644 20 30 GHEDRO Cc1nc(CN2C(=O)CCC23CC[NH+](CCc2ccc(C#N)cc2)CC3)cs1 ZINC001208925442 1035091530 /nfs/dbraw/zinc/09/15/30/1035091530.db2.gz BIVBQZJBMNFRTM-UHFFFAOYSA-N 1 0 394.544 3.523 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001160940532 1035099068 /nfs/dbraw/zinc/09/90/68/1035099068.db2.gz OWDSRLYWTSIZNR-KBJGYGKASA-N 1 0 395.453 3.721 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001160952104 1035103107 /nfs/dbraw/zinc/10/31/07/1035103107.db2.gz QDHVZYBVAHOCGV-OXJNMPFZSA-N 1 0 383.442 3.893 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1Cl ZINC001232114277 1035103844 /nfs/dbraw/zinc/10/38/44/1035103844.db2.gz GDUBCTZJKCRXFP-HXUWFJFHSA-N 1 0 397.906 3.947 20 30 GHEDRO N#Cc1ccc(N2CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC001208940724 1035109251 /nfs/dbraw/zinc/10/92/51/1035109251.db2.gz WFIXNTHUZKMAFZ-QFIPXVFZSA-N 1 0 392.522 3.732 20 30 GHEDRO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001160994011 1035114406 /nfs/dbraw/zinc/11/44/06/1035114406.db2.gz JDCJSKCMBUWNGW-YADHBBJMSA-N 1 0 375.516 3.576 20 30 GHEDRO CC(=O)N1CCC[C@@H](C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)C1 ZINC001208972728 1035135696 /nfs/dbraw/zinc/13/56/96/1035135696.db2.gz FDBYTHLYYOUYTG-DEOSSOPVSA-N 1 0 386.499 3.691 20 30 GHEDRO C=CCN(CC[NH+]1CCC(c2nc(-c3ccc(C)cc3)no2)CC1)C(=O)OCC ZINC001209022204 1035152129 /nfs/dbraw/zinc/15/21/29/1035152129.db2.gz JDNQHNCHLZXIMI-UHFFFAOYSA-N 1 0 398.507 3.869 20 30 GHEDRO C=CCN(CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)C(=O)OCC ZINC001209021602 1035152238 /nfs/dbraw/zinc/15/22/38/1035152238.db2.gz KEQPZBSONPJHKZ-UHFFFAOYSA-N 1 0 378.900 3.879 20 30 GHEDRO N#Cc1cc(C(F)(F)NC2CC[NH+](Cc3ccc(O)cc3)CC2)cc(Cl)n1 ZINC001161132094 1035153910 /nfs/dbraw/zinc/15/39/10/1035153910.db2.gz YMEZAIAJYOMWPV-UHFFFAOYSA-N 1 0 392.837 3.616 20 30 GHEDRO COc1ncc(NC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cc1C#N ZINC001209050238 1035157821 /nfs/dbraw/zinc/15/78/21/1035157821.db2.gz BYEZJZQWLJIDHT-LPHOPBHVSA-N 1 0 395.507 3.849 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)C1=O ZINC001232219828 1035169149 /nfs/dbraw/zinc/16/91/49/1035169149.db2.gz GULWMJFIDPRNHS-XMMPIXPASA-N 1 0 386.499 3.784 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](CCc1cccc(C(F)(F)F)c1)CC2 ZINC001209122535 1035183086 /nfs/dbraw/zinc/18/30/86/1035183086.db2.gz QHHZRTKTCSVQKX-UHFFFAOYSA-N 1 0 382.426 3.968 20 30 GHEDRO C=CCN(C(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC001161248455 1035192181 /nfs/dbraw/zinc/19/21/81/1035192181.db2.gz ZSUBBVNUGYIIRM-PGRDOPGGSA-N 1 0 381.520 3.854 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC001461950980 1069911163 /nfs/dbraw/zinc/91/11/63/1069911163.db2.gz XWGQCEWKIFYMTQ-UHFFFAOYSA-N 1 0 394.471 3.531 20 30 GHEDRO C#CCCC[NH+]1CCC(OCc2ccc(I)cc2)CC1 ZINC001209266400 1035226877 /nfs/dbraw/zinc/22/68/77/1035226877.db2.gz XRPRXIHNEDFWQZ-UHFFFAOYSA-N 1 0 383.273 3.686 20 30 GHEDRO C#CCCC[NH+](Cc1ccc2c(c1)OCCO2)Cc1ccc2c(c1)OCCO2 ZINC001209269357 1035227179 /nfs/dbraw/zinc/22/71/79/1035227179.db2.gz GWVKAGONOFNBIU-UHFFFAOYSA-N 1 0 379.456 3.645 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](CCc1ccccc1C(F)(F)F)CC2 ZINC001209280318 1035229678 /nfs/dbraw/zinc/22/96/78/1035229678.db2.gz MSUVXPHXYSBNKE-UHFFFAOYSA-N 1 0 382.426 3.968 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CC1Cc3ccccc3C1)CC2 ZINC001209320220 1035241345 /nfs/dbraw/zinc/24/13/45/1035241345.db2.gz FBWAHGFUHGRODG-UHFFFAOYSA-N 1 0 377.532 3.769 20 30 GHEDRO C[C@H](c1ccccc1)N(C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)C1=CC(=O)CCC1 ZINC001161510259 1035244888 /nfs/dbraw/zinc/24/48/88/1035244888.db2.gz VYYAESPBODPYCL-WWEVIYMKSA-N 1 0 396.531 3.762 20 30 GHEDRO Cc1cc(Cl)ncc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001209633570 1035338599 /nfs/dbraw/zinc/33/85/99/1035338599.db2.gz OHROAFLREFLBQQ-NRFANRHFSA-N 1 0 380.879 3.544 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2cc(C#C[Si](C)(C)C)ccn2)cc1 ZINC001241783162 1035699544 /nfs/dbraw/zinc/69/95/44/1035699544.db2.gz XCYHMELYIWYAEI-UHFFFAOYSA-N 1 0 379.580 3.659 20 30 GHEDRO C#Cc1cccc(-c2nc(C[N@@H+]3CC[C@@H](CO)C3)ccc2NC(=O)C(C)(C)C)c1 ZINC001241917905 1035747164 /nfs/dbraw/zinc/74/71/64/1035747164.db2.gz ZPFMDQSADLANRM-GOSISDBHSA-N 1 0 391.515 3.529 20 30 GHEDRO CN(C)C(=O)c1cc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)ccc1Cl ZINC001242084112 1035808442 /nfs/dbraw/zinc/80/84/42/1035808442.db2.gz MWILDVAYSWWZOZ-UHFFFAOYSA-N 1 0 383.879 3.711 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2ncc(C#N)cc2Br)cc1 ZINC001248403687 1035819180 /nfs/dbraw/zinc/81/91/80/1035819180.db2.gz OGDWRTJEZWMWOT-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO N#Cc1cc(-c2cc(C(=O)N3CCCC3)ccc2F)ccc1OC1CC[NH2+]CC1 ZINC001242139063 1035830293 /nfs/dbraw/zinc/83/02/93/1035830293.db2.gz KWTCTWZFWFSRGJ-UHFFFAOYSA-N 1 0 393.462 3.731 20 30 GHEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(=O)N3CCOCC3)nc2)cc1 ZINC001242656240 1035937243 /nfs/dbraw/zinc/93/72/43/1035937243.db2.gz SDTHARBUUMBPST-JOCHJYFZSA-N 1 0 377.488 3.544 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)Nc3cc(F)ccc3F)CC2)c1 ZINC001248625170 1036001794 /nfs/dbraw/zinc/00/17/94/1036001794.db2.gz WWYHBZZEKOFDAO-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1)C(C)(C)C ZINC001248679118 1036046559 /nfs/dbraw/zinc/04/65/59/1036046559.db2.gz XTRKPQGGSPBADJ-UHFFFAOYSA-N 1 0 388.556 3.925 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001248749563 1036105816 /nfs/dbraw/zinc/10/58/16/1036105816.db2.gz CQWGKGSDVHEPSV-UHFFFAOYSA-N 1 0 377.488 3.984 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(CN2CCS/C2=N\C#N)cn1 ZINC001243338484 1036119238 /nfs/dbraw/zinc/11/92/38/1036119238.db2.gz DZXQJNVRJQETBB-FLFQWRMESA-N 1 0 379.533 3.976 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-c3cccc(N4CC[NH+](C)CC4)c3)nn2)cc1 ZINC001243666558 1036242836 /nfs/dbraw/zinc/24/28/36/1036242836.db2.gz CHUDWVSJRFZMPS-QFIPXVFZSA-N 1 0 383.499 3.859 20 30 GHEDRO N#C[C@@H]1CC=C(c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)CC1 ZINC001243799599 1036283843 /nfs/dbraw/zinc/28/38/43/1036283843.db2.gz UXFJZBFCMOLPKZ-SJLPKXTDSA-N 1 0 375.476 3.903 20 30 GHEDRO N#Cc1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)ccc1OC1CCOCC1 ZINC001245307679 1036869194 /nfs/dbraw/zinc/86/91/94/1036869194.db2.gz WWMZGMXKURCPHZ-UHFFFAOYSA-N 1 0 387.483 3.928 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CCCC12C[NH2+]C2 ZINC001246032954 1037148651 /nfs/dbraw/zinc/14/86/51/1037148651.db2.gz NCISZYNSUQKSGA-JOCHJYFZSA-N 1 0 398.632 3.739 20 30 GHEDRO C[C@@H]1C[C@@H](NCc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C[NH2+]1 ZINC001246296691 1037283432 /nfs/dbraw/zinc/28/34/32/1037283432.db2.gz STIKOTHAQWZRMO-OXQOHEQNSA-N 1 0 385.471 3.648 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246312982 1037293033 /nfs/dbraw/zinc/29/30/33/1037293033.db2.gz QBMGXZUJKDARLJ-QAPCUYQASA-N 1 0 385.335 3.667 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)N1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001246804316 1037637040 /nfs/dbraw/zinc/63/70/40/1037637040.db2.gz GDPBMMWPLXVDEE-QRWLVFNGSA-N 1 0 384.321 3.898 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)c1 ZINC001246847901 1037671113 /nfs/dbraw/zinc/67/11/13/1037671113.db2.gz YVYYEMOTHMFNRV-AOHZBQACSA-N 1 0 375.516 3.765 20 30 GHEDRO N#Cc1ccnc(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c1 ZINC001232476774 1038258556 /nfs/dbraw/zinc/25/85/56/1038258556.db2.gz XKDGGXXLFHSCKI-UHFFFAOYSA-N 1 0 378.520 3.514 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cccc(Br)c1N)C2 ZINC001232523811 1038287600 /nfs/dbraw/zinc/28/76/00/1038287600.db2.gz VACWARZQFNQFKL-IEBWSBKVSA-N 1 0 395.341 3.605 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)c(CC)s3)C2)C1=O ZINC001277681966 1038330617 /nfs/dbraw/zinc/33/06/17/1038330617.db2.gz XKEYXANHFQERBB-QGZVFWFLSA-N 1 0 383.355 3.683 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(Cl)ccnc1F)CC2 ZINC001232614892 1038402995 /nfs/dbraw/zinc/40/29/95/1038402995.db2.gz KJCSAMVMXGYKMK-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(OC)cc1C ZINC001232835398 1038588088 /nfs/dbraw/zinc/58/80/88/1038588088.db2.gz DEFRTORARIYNOF-UHFFFAOYSA-N 1 0 396.487 3.936 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001232890506 1038675054 /nfs/dbraw/zinc/67/50/54/1038675054.db2.gz GWDMMEYUYOEXGE-DHIUTWEWSA-N 1 0 395.478 3.680 20 30 GHEDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(Br)c(C#N)c1 ZINC001232897118 1038693727 /nfs/dbraw/zinc/69/37/27/1038693727.db2.gz FJHUANMHDFUWCY-UHFFFAOYSA-N 1 0 382.302 3.667 20 30 GHEDRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@H+](Cc3cccc(C#N)n3)C[C@H]21 ZINC001232923194 1038712786 /nfs/dbraw/zinc/71/27/86/1038712786.db2.gz RWHCMXKXVQOVPD-LEWJYISDSA-N 1 0 390.487 3.672 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c(C#N)c1 ZINC001232964496 1038737756 /nfs/dbraw/zinc/73/77/56/1038737756.db2.gz YSALPBMTVRAZOI-RBUKOAKNSA-N 1 0 387.499 3.942 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]CCN3CCC(NC(=O)OC(C)(C)C)CC3)C[C@H](C1)C2 ZINC000721928472 1038740823 /nfs/dbraw/zinc/74/08/23/1038740823.db2.gz BJFLFEAOVUMQDL-UFRUDQCGSA-N 1 0 377.573 3.700 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCOCC3)C2)c(C#N)c1 ZINC001232966988 1038740972 /nfs/dbraw/zinc/74/09/72/1038740972.db2.gz ZCKOFPKOBIJRBQ-ZEQRLZLVSA-N 1 0 398.547 3.681 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(O)cc(Br)c1)CC2 ZINC001232997438 1038758221 /nfs/dbraw/zinc/75/82/21/1038758221.db2.gz RMGVKTDMBFYYJS-LJQANCHMSA-N 1 0 393.325 3.688 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001233081023 1038849255 /nfs/dbraw/zinc/84/92/55/1038849255.db2.gz LFGRWOQMCPGWJA-BJKOFHAPSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CCOCC2)C1 ZINC001233081832 1038854413 /nfs/dbraw/zinc/85/44/13/1038854413.db2.gz QUJVYABFONGMEK-ZEQRLZLVSA-N 1 0 398.547 3.681 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001252125222 1038872547 /nfs/dbraw/zinc/87/25/47/1038872547.db2.gz BNWGUDJZOZPONU-LJQANCHMSA-N 1 0 378.605 3.995 20 30 GHEDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c(F)c1C#N ZINC001233098356 1038873167 /nfs/dbraw/zinc/87/31/67/1038873167.db2.gz HRQXEXSGKPUVPR-JPYJTQIMSA-N 1 0 394.494 3.839 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001252126412 1038874753 /nfs/dbraw/zinc/87/47/53/1038874753.db2.gz PNDKEBPOMKDESL-HJNYFJLDSA-N 1 0 376.541 3.805 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccc(N(C)C)c(C#N)c2F)o1 ZINC001233098673 1038875153 /nfs/dbraw/zinc/87/51/53/1038875153.db2.gz KQIXYGSEKSPONS-RTWAWAEBSA-N 1 0 382.483 3.514 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CCOC[C@@H]2NC(=O)C(C)C)CC1 ZINC001252127745 1038877257 /nfs/dbraw/zinc/87/72/57/1038877257.db2.gz DSEUWMZPVGPQRR-SFTDATJTSA-N 1 0 396.616 3.741 20 30 GHEDRO CN(C)c1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(F)c1C#N ZINC001233100255 1038876834 /nfs/dbraw/zinc/87/68/34/1038876834.db2.gz DCMHTHLAQOGVKR-UHFFFAOYSA-N 1 0 384.474 3.610 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001252128096 1038879640 /nfs/dbraw/zinc/87/96/40/1038879640.db2.gz IMAVGWCFZWHUOJ-SFTDATJTSA-N 1 0 387.568 3.631 20 30 GHEDRO CN(C)c1ccc(CN2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c(F)c1C#N ZINC001233102659 1038883807 /nfs/dbraw/zinc/88/38/07/1038883807.db2.gz IRXBEHIIHJMASY-UHFFFAOYSA-N 1 0 398.501 3.999 20 30 GHEDRO CN(C)c1ccc(CN2CCC([N@H+](C)Cc3cccc(F)c3)CC2)c(F)c1C#N ZINC001233102764 1038887408 /nfs/dbraw/zinc/88/74/08/1038887408.db2.gz MPZYXEVEZCUENM-UHFFFAOYSA-N 1 0 398.501 3.999 20 30 GHEDRO COC(=O)c1ccc([C@@H]2CCCN2Cc2ccc(N(C)C)c(C#N)c2F)cc1 ZINC001233103861 1038887456 /nfs/dbraw/zinc/88/74/56/1038887456.db2.gz OYKUYFXYCZOPNB-IBGZPJMESA-N 1 0 381.451 3.887 20 30 GHEDRO COc1cccc(CN2CC[C@H]3SC(=O)C=C3C2)c1NC(=O)OC(C)(C)C ZINC001233126529 1038912255 /nfs/dbraw/zinc/91/22/55/1038912255.db2.gz LHUGFPNWAVGUDU-MRXNPFEDSA-N 1 0 390.505 3.816 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cc(Cl)cnc1OCC)CCO2 ZINC001233171116 1038943579 /nfs/dbraw/zinc/94/35/79/1038943579.db2.gz UMJNFKYOUZLQNG-FXAWDEMLSA-N 1 0 380.916 3.707 20 30 GHEDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340798 1038947357 /nfs/dbraw/zinc/94/73/57/1038947357.db2.gz VGFXWGMVOQPOSL-VEVIJQCQSA-N 1 0 385.430 3.681 20 30 GHEDRO C=CCOC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC001252472115 1038999290 /nfs/dbraw/zinc/99/92/90/1038999290.db2.gz OAKBYYIFOJWYSV-QHCPKHFHSA-N 1 0 379.500 3.812 20 30 GHEDRO CCCCOC[C@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001252515037 1039015080 /nfs/dbraw/zinc/01/50/80/1039015080.db2.gz NYLWLWOXDOEJPT-HSZRJFAPSA-N 1 0 377.488 3.610 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]CC1(c2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252579201 1039037466 /nfs/dbraw/zinc/03/74/66/1039037466.db2.gz JVMOTYQDGDYJGK-NRFANRHFSA-N 1 0 392.515 3.621 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]C1(Cc2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583281 1039038520 /nfs/dbraw/zinc/03/85/20/1039038520.db2.gz HHBCMAPUUISTGH-OAQYLSRUSA-N 1 0 392.515 3.665 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]Cc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001252616479 1039050034 /nfs/dbraw/zinc/05/00/34/1039050034.db2.gz PUGMTLMXSSVEHQ-RDJZCZTQSA-N 1 0 393.503 3.597 20 30 GHEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC001252619129 1039051017 /nfs/dbraw/zinc/05/10/17/1039051017.db2.gz BKOOQTYARWQLOV-HKUYNNGSSA-N 1 0 395.478 3.893 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3ncoc3[C@H]3CCCO3)CCCCC2)CCO1 ZINC000329424659 1039101146 /nfs/dbraw/zinc/10/11/46/1039101146.db2.gz FQDFWDQAPLEPLJ-MRXNPFEDSA-N 1 0 391.512 3.644 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(O)c1Cl)C2 ZINC001233399004 1039237432 /nfs/dbraw/zinc/23/74/32/1039237432.db2.gz HHEYYFZAMKXWNE-XLIONFOSSA-N 1 0 381.900 3.628 20 30 GHEDRO CCCCCCCCCC[C@@H](O)CN1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001252980507 1039309164 /nfs/dbraw/zinc/30/91/64/1039309164.db2.gz UUZODHICOVWNLF-NHCUHLMSSA-N 1 0 378.605 3.768 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@@H](O)COC[C@H](CC)CCCC)CCO2 ZINC001253001523 1039328761 /nfs/dbraw/zinc/32/87/61/1039328761.db2.gz NPJURBJSDZHNLP-SSGKUCQKSA-N 1 0 397.600 3.654 20 30 GHEDRO C=CCCCCCC[C@@H](O)CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001253236513 1039491716 /nfs/dbraw/zinc/49/17/16/1039491716.db2.gz DQIAQFDQPLACIX-PZJWPPBQSA-N 1 0 376.589 3.987 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC001253238640 1039494855 /nfs/dbraw/zinc/49/48/55/1039494855.db2.gz SSTQCKFKQMWVNJ-IZBOUPIGSA-N 1 0 390.568 3.831 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001253238865 1039496272 /nfs/dbraw/zinc/49/62/72/1039496272.db2.gz IITVYYDNSOVNTN-IRLDBZIGSA-N 1 0 398.551 3.676 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001253239971 1039496350 /nfs/dbraw/zinc/49/63/50/1039496350.db2.gz WNLBOZWMOLLXDF-MQSCRBSSSA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 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FTIKVPUDUXBXFK-RBUKOAKNSA-N 1 0 388.508 3.616 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001256315305 1041700111 /nfs/dbraw/zinc/70/01/11/1041700111.db2.gz FFENWBRLSYAYEH-KRWDZBQOSA-N 1 0 377.916 3.685 20 30 GHEDRO N#Cc1cc(CN(Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c(F)cc1F ZINC001236504125 1041743620 /nfs/dbraw/zinc/74/36/20/1041743620.db2.gz HWUZUMPLOJTNHH-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)n1 ZINC001236640076 1041798723 /nfs/dbraw/zinc/79/87/23/1041798723.db2.gz SVHOSSIODNTILU-OAQYLSRUSA-N 1 0 380.879 3.544 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(OCC)c(F)c1)[C@H]2CC ZINC001236689720 1041833272 /nfs/dbraw/zinc/83/32/72/1041833272.db2.gz JTWNPNVFKLQECU-RXVVDRJESA-N 1 0 375.488 3.541 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)c(O)c3)C[C@@H]2c2ccccc2)C1=O ZINC001236701099 1041840989 /nfs/dbraw/zinc/84/09/89/1041840989.db2.gz IDENCMZWLNGOPR-XXBNENTESA-N 1 0 380.463 3.535 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1sc(Br)cc1C)CC2 ZINC001236823104 1041917578 /nfs/dbraw/zinc/91/75/78/1041917578.db2.gz DWUKETZLBPIIEI-UHFFFAOYSA-N 1 0 383.355 3.962 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237136994 1042059910 /nfs/dbraw/zinc/05/99/10/1042059910.db2.gz YWSKWZCKNKDCOA-IBGZPJMESA-N 1 0 382.426 3.944 20 30 GHEDRO Cc1c(F)c(F)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001237158232 1042069926 /nfs/dbraw/zinc/06/99/26/1042069926.db2.gz KDVNELLMNLBAAS-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc(Cl)c(F)c1)CC2 ZINC001237397140 1042189459 /nfs/dbraw/zinc/18/94/59/1042189459.db2.gz GPRJEJYPMXJSQW-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccccc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001237399547 1042191259 /nfs/dbraw/zinc/19/12/59/1042191259.db2.gz REWXRXKXOPOZJX-UHFFFAOYSA-N 1 0 391.519 3.650 20 30 GHEDRO C=C(C)COc1ccccc1CN1CC[NH2+]C[C@@H]1c1cccc(C(=O)OC)c1 ZINC001237444053 1042210032 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BWFBAFCJBGRNBU-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cn4cc(C#N)ccc4n3)C[C@@H]21 ZINC001237614466 1042281762 /nfs/dbraw/zinc/28/17/62/1042281762.db2.gz ORHJEHMFYFTRNH-FIXSFTCYSA-N 1 0 385.515 3.816 20 30 GHEDRO CC(C)(C)OC(=O)N1CCn2cc(C[NH+]3CC(CC#N)C3)c3cccc(c32)C1 ZINC001237627187 1042292945 /nfs/dbraw/zinc/29/29/45/1042292945.db2.gz BANCMUHEFSLQPP-UHFFFAOYSA-N 1 0 380.492 3.737 20 30 GHEDRO CCCCCCCC(=O)c1ccc(NS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC001237801918 1042378405 /nfs/dbraw/zinc/37/84/05/1042378405.db2.gz NVZMEAULFUPLQK-UHFFFAOYSA-N 1 0 380.554 3.971 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OCC)c(F)c3)C2)C1 ZINC001237951904 1042435498 /nfs/dbraw/zinc/43/54/98/1042435498.db2.gz LFRMZODSNBAJSJ-OAQYLSRUSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3[nH]nc4cc(Cl)ccc43)C2)C1 ZINC001237994750 1042448269 /nfs/dbraw/zinc/44/82/69/1042448269.db2.gz ZBODDTMDOXVJSQ-FQEVSTJZSA-N 1 0 388.899 3.827 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238015758 1042460566 /nfs/dbraw/zinc/46/05/66/1042460566.db2.gz YVSNJZXRQKLWCS-GMAHTHKFSA-N 1 0 395.503 3.843 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4ccc(C#N)cc4Cl)CC[N@@H+]3C2)cc1 ZINC001238081494 1042484886 /nfs/dbraw/zinc/48/48/86/1042484886.db2.gz BLLWWYPILDOSPJ-TZIWHRDSSA-N 1 0 381.907 3.858 20 30 GHEDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001238081611 1042484969 /nfs/dbraw/zinc/48/49/69/1042484969.db2.gz CBACTYFDPLZZIZ-UHFFFAOYSA-N 1 0 383.927 3.543 20 30 GHEDRO COc1cccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC001238084816 1042486506 /nfs/dbraw/zinc/48/65/06/1042486506.db2.gz NSDUCBPEKDWVKM-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO Cc1ccc(O)cc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001238093561 1042490388 /nfs/dbraw/zinc/49/03/88/1042490388.db2.gz GNYYKDYUHFAPRK-XMMPIXPASA-N 1 0 391.515 3.691 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ncc1Cl ZINC001238419644 1042590040 /nfs/dbraw/zinc/59/00/40/1042590040.db2.gz KIWMXKBQOLWSAR-OAQYLSRUSA-N 1 0 380.879 3.544 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)ncc2-c2ccccc2)C1 ZINC001238599348 1042652845 /nfs/dbraw/zinc/65/28/45/1042652845.db2.gz IWRFSDFJWPMWRW-IBGZPJMESA-N 1 0 381.476 3.634 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(-c4ccncc4)ccc3OC)C2)C1=O ZINC001238602656 1042654751 /nfs/dbraw/zinc/65/47/51/1042654751.db2.gz CRAWIBXNOWSGAJ-DEOSSOPVSA-N 1 0 391.515 3.758 20 30 GHEDRO CCc1cc(CN2CCCn3cnc(COc4cccnc4)c3C2)ccc1C#N ZINC001238776016 1042723478 /nfs/dbraw/zinc/72/34/78/1042723478.db2.gz ROVSOACQNQFPMN-UHFFFAOYSA-N 1 0 387.487 3.697 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)cc1 ZINC001239249526 1042797346 /nfs/dbraw/zinc/79/73/46/1042797346.db2.gz HHPRRDPEANQXSR-UHFFFAOYSA-N 1 0 388.393 3.977 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(C#N)c1)CC21CC[NH2+]CC1 ZINC001239362216 1042813483 /nfs/dbraw/zinc/81/34/83/1042813483.db2.gz JCJBCEKQGKFFHE-FQEVSTJZSA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239373125 1042815598 /nfs/dbraw/zinc/81/55/98/1042815598.db2.gz LVBZCVNQNDLPOI-PBHICJAKSA-N 1 0 382.455 3.786 20 30 GHEDRO N#Cc1ccccc1NC(=S)NC1(Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC001239392090 1042821385 /nfs/dbraw/zinc/82/13/85/1042821385.db2.gz LHESSECPXVZCCG-UHFFFAOYSA-N 1 0 384.936 3.863 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001239435655 1042829308 /nfs/dbraw/zinc/82/93/08/1042829308.db2.gz YAJYQDIFALFMED-UGKGYDQZSA-N 1 0 376.529 3.508 20 30 GHEDRO CCOC(=O)c1sc2nc(C)nc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c2c1C ZINC001240343224 1042922278 /nfs/dbraw/zinc/92/22/78/1042922278.db2.gz JTDWMBUHFFWPMW-UHFFFAOYSA-N 1 0 392.484 3.710 20 30 GHEDRO COc1ccc(Cc2c(C)nc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)nc2C)cc1 ZINC001240346510 1042922374 /nfs/dbraw/zinc/92/23/74/1042922374.db2.gz POHQLTURJHJRFF-UHFFFAOYSA-N 1 0 384.483 3.918 20 30 GHEDRO COc1ccc(Oc2nc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ncc2F)cc1 ZINC001240346256 1042922428 /nfs/dbraw/zinc/92/24/28/1042922428.db2.gz GZXVNXXDYDGRIG-UHFFFAOYSA-N 1 0 376.391 3.642 20 30 GHEDRO O=C1Nc2ccc(-c3cc(/C=N/O)cc(C(F)(F)F)c3)cc2C12CC[NH2+]CC2 ZINC001240819114 1042956618 /nfs/dbraw/zinc/95/66/18/1042956618.db2.gz YLYBFSVZQIZSCR-OPEKNORGSA-N 1 0 389.377 3.754 20 30 GHEDRO C[C@H](Cn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC001291108829 1043082580 /nfs/dbraw/zinc/08/25/80/1043082580.db2.gz BDLSPWUJFUPJOT-ZWKOTPCHSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001291135913 1043104050 /nfs/dbraw/zinc/10/40/50/1043104050.db2.gz MNTHNJRWFQOCKP-HOTGVXAUSA-N 1 0 386.931 3.821 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001291702973 1043404423 /nfs/dbraw/zinc/40/44/23/1043404423.db2.gz BZHYNTXSUJMUFA-IEBWSBKVSA-N 1 0 380.540 3.641 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCN(Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256537401 1043483326 /nfs/dbraw/zinc/48/33/26/1043483326.db2.gz NJRZQOJWKPEHDN-IRLDBZIGSA-N 1 0 397.563 3.760 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256793589 1043655422 /nfs/dbraw/zinc/65/54/22/1043655422.db2.gz CHOOPZDVGAZOSO-GMAHTHKFSA-N 1 0 389.499 3.673 20 30 GHEDRO C=CC1(CC(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CN(C(=O)OC(C)(C)C)C1 ZINC001292325305 1043685783 /nfs/dbraw/zinc/68/57/83/1043685783.db2.gz SMKYVAMPZCQDSR-SFHVURJKSA-N 1 0 393.572 3.570 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN([C@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256917379 1043745319 /nfs/dbraw/zinc/74/53/19/1043745319.db2.gz TXSLMMVBNPBSEP-NRFANRHFSA-N 1 0 398.595 3.761 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(N)=CC=C1C1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256963188 1043774235 /nfs/dbraw/zinc/77/42/35/1043774235.db2.gz DXTUVYHKCSTAGD-UHFFFAOYSA-N 1 0 386.540 3.758 20 30 GHEDRO N#CC1CCC(N(c2ccc3nc(C4CC[NH2+]CC4)nn3c2)C2CCC2)CC1 ZINC001256966348 1043775767 /nfs/dbraw/zinc/77/57/67/1043775767.db2.gz GGCOGMDSWYBUNV-UHFFFAOYSA-N 1 0 378.524 3.638 20 30 GHEDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011426 1043798679 /nfs/dbraw/zinc/79/86/79/1043798679.db2.gz NDNOWOAPGSMOAV-UHFFFAOYSA-N 1 0 383.517 3.509 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016386 1043801050 /nfs/dbraw/zinc/80/10/50/1043801050.db2.gz BTNPKFQOSLYKQE-KOQKOIQBSA-N 1 0 399.535 3.544 20 30 GHEDRO N#Cc1ccc(C2CCC([N@H+]3C[C@H]4CN(c5cccnc5)C(=O)[C@H]4C3)CC2)cc1 ZINC001257020376 1043805559 /nfs/dbraw/zinc/80/55/59/1043805559.db2.gz DISGMGVPZZWWPA-ZJZNHJNOSA-N 1 0 386.499 3.574 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC001292810602 1043889902 /nfs/dbraw/zinc/88/99/02/1043889902.db2.gz RBJMHKWHPXYTJL-IBGZPJMESA-N 1 0 395.588 3.959 20 30 GHEDRO CC(C)[C@@H]1C[C@H]([NH2+]CCOc2ccccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001257174841 1043918541 /nfs/dbraw/zinc/91/85/41/1043918541.db2.gz AVWVGRCZYWBGTN-MOPGFXCFSA-N 1 0 387.524 3.951 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccc(Br)cc1O)C(C)C ZINC001292958782 1043965507 /nfs/dbraw/zinc/96/55/07/1043965507.db2.gz ZMZVQXFOOCPNOV-QGZVFWFLSA-N 1 0 395.341 3.512 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 ZINC001293033734 1043993572 /nfs/dbraw/zinc/99/35/72/1043993572.db2.gz OGYRSZVAFZBPCH-UHFFFAOYSA-N 1 0 379.504 3.677 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(Br)cc2)C1 ZINC001257570083 1044055989 /nfs/dbraw/zinc/05/59/89/1044055989.db2.gz HNSHOHCPJOCOFJ-YOEHRIQHSA-N 1 0 381.314 3.757 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257591128 1044075779 /nfs/dbraw/zinc/07/57/79/1044075779.db2.gz BULLXRURPBJMPQ-RMFSNUHRSA-N 1 0 398.551 3.857 20 30 GHEDRO CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001293389479 1044147778 /nfs/dbraw/zinc/14/77/78/1044147778.db2.gz KDLFMNFAUWYZMK-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001293423606 1044169225 /nfs/dbraw/zinc/16/92/25/1044169225.db2.gz DGXJALCGAJPOEF-WOJBJXKFSA-N 1 0 378.524 3.680 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(C[C@H](COC)N(c5ncccn5)C4)CC3)C[C@H](C1)C2 ZINC001257892361 1044247880 /nfs/dbraw/zinc/24/78/80/1044247880.db2.gz XRZCIYOZOABBFG-IUPYZPJSSA-N 1 0 396.579 3.919 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3COc4ccc(Cl)cc4C3)CC2)c1 ZINC001257954478 1044271590 /nfs/dbraw/zinc/27/15/90/1044271590.db2.gz YRSMOSOLAMTYOK-NRFANRHFSA-N 1 0 381.907 3.769 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001258044298 1044367358 /nfs/dbraw/zinc/36/73/58/1044367358.db2.gz LIZMDGWSJFJIPY-XAPVIXHLSA-N 1 0 380.573 3.606 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)cc1 ZINC001258135597 1044420559 /nfs/dbraw/zinc/42/05/59/1044420559.db2.gz BZNZQKHILNIBSA-NRFANRHFSA-N 1 0 395.528 3.702 20 30 GHEDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc(F)c(Cl)c(C#N)c3Cl)o2)C[C@H](C)O1 ZINC001258146174 1044435883 /nfs/dbraw/zinc/43/58/83/1044435883.db2.gz MPVXHTBDSZXVHN-AOOOYVTPSA-N 1 0 399.253 3.706 20 30 GHEDRO CCCCCCCCC[C@@H](C)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001258228993 1044478693 /nfs/dbraw/zinc/47/86/93/1044478693.db2.gz LSOYRTSWRDOWIW-OAQYLSRUSA-N 1 0 389.632 3.975 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CCN(c4ccccc4)CC3)C2)C1 ZINC001258509863 1044586989 /nfs/dbraw/zinc/58/69/89/1044586989.db2.gz JJBXYYDWVJIBQW-QHCPKHFHSA-N 1 0 383.536 3.766 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[C@H]2C)C1 ZINC001294461042 1044646287 /nfs/dbraw/zinc/64/62/87/1044646287.db2.gz PYOXHYFAWHKZOF-LMNJBCLMSA-N 1 0 392.551 3.641 20 30 GHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2C(=O)OCC ZINC001258716718 1044733159 /nfs/dbraw/zinc/73/31/59/1044733159.db2.gz DRNSCIQKVCQFHK-TXTZMMAHSA-N 1 0 380.529 3.508 20 30 GHEDRO C=CCC[C@H](C)[NH+]1CCC(c2cc3c(ncn3C)c(N(C)CCOC)n2)CC1 ZINC001258727442 1044734660 /nfs/dbraw/zinc/73/46/60/1044734660.db2.gz HOFRMLDIGPTYSZ-KRWDZBQOSA-N 1 0 385.556 3.585 20 30 GHEDRO C=CCC[C@@H](C)N(CC(C)C)c1nc2c(cc1C(=O)NC(C)C)CC[NH2+]CC2 ZINC001258727237 1044734746 /nfs/dbraw/zinc/73/47/46/1044734746.db2.gz CTLRFWYSHXKIND-GOSISDBHSA-N 1 0 386.584 3.725 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](C)C1)C(C)C ZINC001295827474 1045157363 /nfs/dbraw/zinc/15/73/63/1045157363.db2.gz OKCAWLYLRVWFBS-HDICACEKSA-N 1 0 380.540 3.639 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001298641358 1045906534 /nfs/dbraw/zinc/90/65/34/1045906534.db2.gz WPZIZVPCQKIFLN-IBGZPJMESA-N 1 0 395.503 3.971 20 30 GHEDRO N#Cc1ccc(-c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)o2)cc1Cl ZINC001261431319 1045994504 /nfs/dbraw/zinc/99/45/04/1045994504.db2.gz WQBDREFJTLOFRW-UHFFFAOYSA-N 1 0 393.878 3.626 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001261854172 1046119400 /nfs/dbraw/zinc/11/94/00/1046119400.db2.gz DHJCDKJOCBHYJS-ZIAGYGMSSA-N 1 0 382.892 3.587 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001300799708 1046167866 /nfs/dbraw/zinc/16/78/66/1046167866.db2.gz DWLVZKUJDDHHDU-AUSIDOKSSA-N 1 0 394.567 3.777 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300876458 1046220149 /nfs/dbraw/zinc/22/01/49/1046220149.db2.gz SVGBRBTXJDZUHO-GGPKGHCWSA-N 1 0 389.588 3.740 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCC[N@H+](C)C1CCCCC1 ZINC001300909139 1046235625 /nfs/dbraw/zinc/23/56/25/1046235625.db2.gz LIBIMMHYGYLUEQ-UHFFFAOYSA-N 1 0 399.587 3.736 20 30 GHEDRO C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001301017024 1046292278 /nfs/dbraw/zinc/29/22/78/1046292278.db2.gz FQIXBFVULLJIDB-HNNXBMFYSA-N 1 0 393.988 3.970 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001301019381 1046293100 /nfs/dbraw/zinc/29/31/00/1046293100.db2.gz IKWCOHNEHDIDGU-CVEARBPZSA-N 1 0 389.931 3.625 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001301030455 1046296845 /nfs/dbraw/zinc/29/68/45/1046296845.db2.gz LPQSBRBUHZEDAT-GJZGRUSLSA-N 1 0 377.895 3.756 20 30 GHEDRO C=C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001301080954 1046325530 /nfs/dbraw/zinc/32/55/30/1046325530.db2.gz XOWUKZUQCCKLGC-LJQANCHMSA-N 1 0 395.555 3.546 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001301154368 1046376075 /nfs/dbraw/zinc/37/60/75/1046376075.db2.gz QSFIFECNOCBNAQ-UHFFFAOYSA-N 1 0 396.583 3.787 20 30 GHEDRO C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301177417 1046389019 /nfs/dbraw/zinc/38/90/19/1046389019.db2.gz ZMJXCYAXYDSLOV-WIYYLYMNSA-N 1 0 390.535 3.846 20 30 GHEDRO C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301208030 1046404772 /nfs/dbraw/zinc/40/47/72/1046404772.db2.gz LTHZSBGBCLRHSY-UHFFFAOYSA-N 1 0 378.524 3.750 20 30 GHEDRO C=CCCCn1c(-c2cccn2C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301214499 1046408417 /nfs/dbraw/zinc/40/84/17/1046408417.db2.gz AXLPEPJNDYIPRT-UHFFFAOYSA-N 1 0 396.583 3.951 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001301281067 1046450900 /nfs/dbraw/zinc/45/09/00/1046450900.db2.gz AKJUMFAEPPCHIP-GOSISDBHSA-N 1 0 383.540 3.840 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001301281710 1046451853 /nfs/dbraw/zinc/45/18/53/1046451853.db2.gz WHMQZERAMSMFHI-MRXNPFEDSA-N 1 0 376.936 3.592 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCCC[N@H+]1CC ZINC001301283282 1046452815 /nfs/dbraw/zinc/45/28/15/1046452815.db2.gz UWMFHJLBIKYTFL-LJQANCHMSA-N 1 0 390.535 3.990 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001301286334 1046455083 /nfs/dbraw/zinc/45/50/83/1046455083.db2.gz NDHQBYUIYDRVCL-GOSISDBHSA-N 1 0 384.915 3.852 20 30 GHEDRO C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001301304512 1046465794 /nfs/dbraw/zinc/46/57/94/1046465794.db2.gz BOIKUGHMCJPNMD-IBGZPJMESA-N 1 0 392.551 3.635 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001301305651 1046467490 /nfs/dbraw/zinc/46/74/90/1046467490.db2.gz JVXVUSJFKHVBKE-FQEVSTJZSA-N 1 0 390.535 3.768 20 30 GHEDRO C=CCN(c1nnc(Cc2ccc(F)cc2)n1CC1([NH+](C)C)CCC1)C1CC1 ZINC001301329942 1046492922 /nfs/dbraw/zinc/49/29/22/1046492922.db2.gz GYJFTDLBRSHOSG-UHFFFAOYSA-N 1 0 383.515 3.647 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301539784 1046588080 /nfs/dbraw/zinc/58/80/80/1046588080.db2.gz WQTFWHVMRCXUJN-VAMGGRTRSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)[C@H](C)CC)C1 ZINC001301547244 1046592477 /nfs/dbraw/zinc/59/24/77/1046592477.db2.gz XVUZVBUAEHYPGC-UXHICEINSA-N 1 0 397.567 3.765 20 30 GHEDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)C[C@]2(C)C1 ZINC001301719417 1046674562 /nfs/dbraw/zinc/67/45/62/1046674562.db2.gz XCQGMXKKPCFADG-ZEQRLZLVSA-N 1 0 389.499 3.551 20 30 GHEDRO C=C(C)Cn1c(CCC[N@H+](C)Cc2c(C)noc2C)nnc1N1CCC[C@@H]1C ZINC001263300189 1046696832 /nfs/dbraw/zinc/69/68/32/1046696832.db2.gz IANYWRJWUBJJCO-INIZCTEOSA-N 1 0 386.544 3.512 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCCCC3)CC2)nnc1[C@@](C)(O)CC ZINC001263326463 1046714207 /nfs/dbraw/zinc/71/42/07/1046714207.db2.gz SNOQPYSBLJNJCK-NRFANRHFSA-N 1 0 389.588 3.707 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001301958776 1046761754 /nfs/dbraw/zinc/76/17/54/1046761754.db2.gz HMKLYGIREWPCDB-GJZGRUSLSA-N 1 0 386.931 3.677 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301959346 1046761833 /nfs/dbraw/zinc/76/18/33/1046761833.db2.gz MJBIMKNWTWURIO-QGZVFWFLSA-N 1 0 398.530 3.802 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(C(C)(C)C#N)n2CC2CC2)C1 ZINC001263742247 1047083975 /nfs/dbraw/zinc/08/39/75/1047083975.db2.gz MRAOQWVHWOIYOB-PKOBYXMFSA-N 1 0 384.572 3.580 20 30 GHEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001303274004 1047336736 /nfs/dbraw/zinc/33/67/36/1047336736.db2.gz PSRAYHDJOLYHFT-UXHICEINSA-N 1 0 379.435 3.798 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC1)C(C)C ZINC001303291882 1047345122 /nfs/dbraw/zinc/34/51/22/1047345122.db2.gz YRLVWPULQZNRMG-UHFFFAOYSA-N 1 0 380.540 3.926 20 30 GHEDRO C#CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CCCc2ccccc21 ZINC001304065332 1047576654 /nfs/dbraw/zinc/57/66/54/1047576654.db2.gz BEROGJYVBZEMIY-LADGPHEKSA-N 1 0 387.527 3.833 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001304522039 1047699161 /nfs/dbraw/zinc/69/91/61/1047699161.db2.gz NDEKPHAITRPMTE-HKUYNNGSSA-N 1 0 380.540 3.724 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC[NH+](C(C)C)C(C)C ZINC001304529200 1047702629 /nfs/dbraw/zinc/70/26/29/1047702629.db2.gz GUZPVSBDTKEDKF-QFIPXVFZSA-N 1 0 398.530 3.814 20 30 GHEDRO N#Cc1c(N)sc(CN2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1Cl ZINC001279370170 1047783683 /nfs/dbraw/zinc/78/36/83/1047783683.db2.gz IPOFEFBHRRGVDL-IBGZPJMESA-N 1 0 389.956 3.672 20 30 GHEDRO Cn1cc(C[NH2+][C@@]23CC[C@@](NCc4scnc4Cl)(C2)CCC3)cc1C#N ZINC001279419425 1047799111 /nfs/dbraw/zinc/79/91/11/1047799111.db2.gz LREPGQDRSCARDH-RBUKOAKNSA-N 1 0 389.956 3.731 20 30 GHEDRO C[C@H]1CCC[C@@](Cn2c(C3CCC3)nnc2N2CCC(C#N)CC2)([NH+](C)C)C1 ZINC001304983461 1047829468 /nfs/dbraw/zinc/82/94/68/1047829468.db2.gz DRAZXKMFDYIHBZ-HTAPYJJXSA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCCC2)[C@@H]1C ZINC001305075877 1047877005 /nfs/dbraw/zinc/87/70/05/1047877005.db2.gz FFTDDFOXCKGVLG-RTBURBONSA-N 1 0 392.551 3.927 20 30 GHEDRO Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2cc(Cl)c(F)c(Cl)c2)cc1C#N ZINC001279647354 1047889605 /nfs/dbraw/zinc/88/96/05/1047889605.db2.gz LFJALFXHSWALCX-IYBDPMFKSA-N 1 0 393.293 3.801 20 30 GHEDRO CC1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001305105134 1047904680 /nfs/dbraw/zinc/90/46/80/1047904680.db2.gz JAFQZXQUMGXTQY-QFIPXVFZSA-N 1 0 395.555 3.525 20 30 GHEDRO C=CCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1ccc(O)cc1O ZINC001279830060 1047962621 /nfs/dbraw/zinc/96/26/21/1047962621.db2.gz RNLRAKYTGSUFTE-INIZCTEOSA-N 1 0 376.522 3.590 20 30 GHEDRO C=CCCNC(=S)N1CCC[C@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001279936154 1047993835 /nfs/dbraw/zinc/99/38/35/1047993835.db2.gz FGWFWNMWCCFYTD-IBGZPJMESA-N 1 0 378.611 3.580 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001305582064 1048154834 /nfs/dbraw/zinc/15/48/34/1048154834.db2.gz PGEVSUXXERRRPY-OXJNMPFZSA-N 1 0 380.540 3.639 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001305711790 1048226638 /nfs/dbraw/zinc/22/66/38/1048226638.db2.gz DEDHEYHAXWDBTR-DYESRHJHSA-N 1 0 392.567 3.675 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001463307799 1070978104 /nfs/dbraw/zinc/97/81/04/1070978104.db2.gz LJEFCMUUZQCXHQ-RXVVDRJESA-N 1 0 384.545 3.747 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001286295857 1048260914 /nfs/dbraw/zinc/26/09/14/1048260914.db2.gz KEWHRKFEHSRSRG-OALUTQOASA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286371053 1048294871 /nfs/dbraw/zinc/29/48/71/1048294871.db2.gz YNLTWCZQFKAMMW-HXUWFJFHSA-N 1 0 390.535 3.616 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2F)n1CCC[N@H+](C)C1CCCCC1 ZINC001286373858 1048297661 /nfs/dbraw/zinc/29/76/61/1048297661.db2.gz SQVGWGMEFTWLAG-UHFFFAOYSA-N 1 0 397.542 3.732 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CC[NH+](C(C)C)C(C)C ZINC001286423912 1048314761 /nfs/dbraw/zinc/31/47/61/1048314761.db2.gz PMWIFLVGLZURRZ-UHFFFAOYSA-N 1 0 377.536 3.527 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001286424515 1048315432 /nfs/dbraw/zinc/31/54/32/1048315432.db2.gz XIHQXYOJMAEPFU-UHFFFAOYSA-N 1 0 389.547 3.530 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCC1 ZINC001286439384 1048321387 /nfs/dbraw/zinc/32/13/87/1048321387.db2.gz UYEFQYZSTQLHJC-UHFFFAOYSA-N 1 0 379.552 3.798 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001286523250 1048348000 /nfs/dbraw/zinc/34/80/00/1048348000.db2.gz SGNCQFFPLORSPJ-NFBKMPQASA-N 1 0 385.600 3.979 20 30 GHEDRO C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286540738 1048356425 /nfs/dbraw/zinc/35/64/25/1048356425.db2.gz CZTSFADLLCDKKW-CABCVRRESA-N 1 0 398.393 3.694 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001286583906 1048377468 /nfs/dbraw/zinc/37/74/68/1048377468.db2.gz SHSVZGHBIFXMMC-FQEVSTJZSA-N 1 0 381.568 3.950 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCCC1 ZINC001286584192 1048377493 /nfs/dbraw/zinc/37/74/93/1048377493.db2.gz YQBLFLJWMAHYPJ-UHFFFAOYSA-N 1 0 392.551 3.779 20 30 GHEDRO C=C(Cn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1C(C)(C)C)c1ccccc1 ZINC001286619990 1048391082 /nfs/dbraw/zinc/39/10/82/1048391082.db2.gz YKGYOAWNDAYNDL-HXUWFJFHSA-N 1 0 379.552 3.964 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCCCn2ccnc2C)CC1 ZINC001286666975 1048432933 /nfs/dbraw/zinc/43/29/33/1048432933.db2.gz ZZNYNRGCMXQZDH-LJQANCHMSA-N 1 0 384.528 3.517 20 30 GHEDRO C=CCCCCCN(C)c1nnc(C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001286680850 1048442350 /nfs/dbraw/zinc/44/23/50/1048442350.db2.gz FSOYRYFKHIKZFG-UHFFFAOYSA-N 1 0 389.588 3.804 20 30 GHEDRO C=CCCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001286697464 1048458641 /nfs/dbraw/zinc/45/86/41/1048458641.db2.gz OEYIERHLIDNYCZ-UHFFFAOYSA-N 1 0 390.535 3.870 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCC[C@@H]1C ZINC001286729133 1048485888 /nfs/dbraw/zinc/48/58/88/1048485888.db2.gz OTRAEGFNKVQQBM-SFHVURJKSA-N 1 0 385.581 3.985 20 30 GHEDRO C=CCN(c1nnc(-c2ccc3ccccc3n2)n1CC[N@@H+](C)C(C)C)C1CC1 ZINC001286732808 1048491071 /nfs/dbraw/zinc/49/10/71/1048491071.db2.gz FNKJBHQQUHZWML-UHFFFAOYSA-N 1 0 390.535 3.988 20 30 GHEDRO C=CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)[NH+](C)C)C1CC1 ZINC001286734719 1048493527 /nfs/dbraw/zinc/49/35/27/1048493527.db2.gz VSCANGMVQLNLPU-SFHVURJKSA-N 1 0 379.552 3.853 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccn2C)n1CC1([NH+](C)C)CCCCC1 ZINC001286754330 1048507457 /nfs/dbraw/zinc/50/74/57/1048507457.db2.gz UJUYJVCHJDWAOZ-UHFFFAOYSA-N 1 0 382.556 3.727 20 30 GHEDRO C=CCSCCn1c(C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001286825062 1048537652 /nfs/dbraw/zinc/53/76/52/1048537652.db2.gz FTDMPFIIRYDREZ-LJQANCHMSA-N 1 0 377.602 3.598 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286961827 1048555162 /nfs/dbraw/zinc/55/51/62/1048555162.db2.gz YARTVJVVMJEAJY-GOSISDBHSA-N 1 0 394.567 3.620 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C#N)C(C)C ZINC001286964188 1048556512 /nfs/dbraw/zinc/55/65/12/1048556512.db2.gz DHONETDDUBZOGF-KRWDZBQOSA-N 1 0 386.519 3.799 20 30 GHEDRO CC(C)(Cn1c(CC2CCCC2)nnc1N1CCC(C#N)CC1)C[NH+]1CCCC1 ZINC001287094755 1048595836 /nfs/dbraw/zinc/59/58/36/1048595836.db2.gz POECZEQSXFGQKI-UHFFFAOYSA-N 1 0 398.599 3.873 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001287240009 1048677823 /nfs/dbraw/zinc/67/78/23/1048677823.db2.gz VHPJMBQDYMJDGF-RXVVDRJESA-N 1 0 392.551 3.926 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)[C@@H]([NH2+]C(C)C)c3ccc(OC)cc3)cc2n1 ZINC001306900419 1048951794 /nfs/dbraw/zinc/95/17/94/1048951794.db2.gz WBDGGJFTXRFMDR-NRFANRHFSA-N 1 0 378.476 3.909 20 30 GHEDRO CC(C)[NH+](CCn1c(CC2CC2)nnc1N(C)Cc1cccc(C#N)c1)C(C)C ZINC001287968883 1048958665 /nfs/dbraw/zinc/95/86/65/1048958665.db2.gz RXDNTVVKVDQXHT-UHFFFAOYSA-N 1 0 394.567 3.857 20 30 GHEDRO CCc1nnc(Nc2ccc(CC[NH+]3CCSCC3)cc2)c(C#N)c1CC ZINC001306945961 1048973728 /nfs/dbraw/zinc/97/37/28/1048973728.db2.gz KOUAGDSBGCZPGX-UHFFFAOYSA-N 1 0 381.549 3.808 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nc(-c2cc(F)cc(F)c2)ns1 ZINC001306995884 1048998159 /nfs/dbraw/zinc/99/81/59/1048998159.db2.gz SUZSFQZIAQCFPS-UHFFFAOYSA-N 1 0 399.470 3.923 20 30 GHEDRO C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CC[NH+]2CCCCCC2)C1 ZINC001288977442 1049273069 /nfs/dbraw/zinc/27/30/69/1049273069.db2.gz NKTGILPSFZZBSH-JOCHJYFZSA-N 1 0 384.572 3.942 20 30 GHEDRO COc1ncc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)cc1C#N ZINC001289072596 1049313286 /nfs/dbraw/zinc/31/32/86/1049313286.db2.gz YSMNHXVKLCZZRR-TZIWHRDSSA-N 1 0 392.503 3.695 20 30 GHEDRO CC[N@H+]([C@@H](COC)Cc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307520516 1049364974 /nfs/dbraw/zinc/36/49/74/1049364974.db2.gz JDIMMPAEFABJSZ-DHIUTWEWSA-N 1 0 391.515 3.633 20 30 GHEDRO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ncc(C#N)c3[nH]2)cc1 ZINC001307536879 1049380929 /nfs/dbraw/zinc/38/09/29/1049380929.db2.gz FWQGNQIZUSHZRC-UHFFFAOYSA-N 1 0 399.454 3.518 20 30 GHEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC001307614906 1049451775 /nfs/dbraw/zinc/45/17/75/1049451775.db2.gz CREYNYFMSRTUPR-UTKZUKDTSA-N 1 0 386.467 3.520 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)cc1 ZINC001307724172 1049537793 /nfs/dbraw/zinc/53/77/93/1049537793.db2.gz KRWGZDDOHOUSNP-UHFFFAOYSA-N 1 0 391.490 3.663 20 30 GHEDRO C[C@]1(c2ccccc2)CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001307764832 1049578245 /nfs/dbraw/zinc/57/82/45/1049578245.db2.gz ZZBCPBKCVHIGAV-VWLOTQADSA-N 1 0 386.495 3.730 20 30 GHEDRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC001307799433 1049598889 /nfs/dbraw/zinc/59/88/89/1049598889.db2.gz PKBRZKPETMLACZ-HXUWFJFHSA-N 1 0 394.475 3.506 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([NH2+][C@H](c3ccccc3)[C@@H](O)c3ccccc3)C2=O)cc1 ZINC001307811403 1049609059 /nfs/dbraw/zinc/60/90/59/1049609059.db2.gz BGONSWVMRLWLRI-SMIHKQSGSA-N 1 0 397.478 3.728 20 30 GHEDRO C=CCCOCCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c2ccncc12 ZINC001289817761 1049642971 /nfs/dbraw/zinc/64/29/71/1049642971.db2.gz SYDTWKNTIKTZET-UHFFFAOYSA-N 1 0 396.535 3.688 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CC1([NH+](C)C)CCCC1 ZINC001290103543 1049731753 /nfs/dbraw/zinc/73/17/53/1049731753.db2.gz NCXPRFOGCOLYSI-QGZVFWFLSA-N 1 0 380.540 3.724 20 30 GHEDRO C=CCCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC001308040233 1049791128 /nfs/dbraw/zinc/79/11/28/1049791128.db2.gz KMGVXULJGMMQMD-JOCHJYFZSA-N 1 0 392.547 3.808 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001308084351 1049830790 /nfs/dbraw/zinc/83/07/90/1049830790.db2.gz RXWPEPOHMVRDIK-MRXNPFEDSA-N 1 0 383.517 3.770 20 30 GHEDRO C[C@H](COCC1CCCCC1)[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001308093994 1049840217 /nfs/dbraw/zinc/84/02/17/1049840217.db2.gz YYUHGMOTJSXJRH-KLOMGHIOSA-N 1 0 377.573 3.881 20 30 GHEDRO COc1cccc([C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)N(C)C)c1 ZINC001308182091 1049903650 /nfs/dbraw/zinc/90/36/50/1049903650.db2.gz HGKUPARBWWNSHZ-LJQANCHMSA-N 1 0 388.309 3.722 20 30 GHEDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC001308192608 1049907183 /nfs/dbraw/zinc/90/71/83/1049907183.db2.gz QCWSEIUVYJPDCI-UHFFFAOYSA-N 1 0 377.517 3.853 20 30 GHEDRO N#CCOc1cccc(C[NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)c1 ZINC001308265651 1049931275 /nfs/dbraw/zinc/93/12/75/1049931275.db2.gz JIRIRLWSQMFWKT-UHFFFAOYSA-N 1 0 396.878 3.808 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c(-c2ccc(C#N)cc2)n1 ZINC001308367891 1049960160 /nfs/dbraw/zinc/96/01/60/1049960160.db2.gz LDAKINPIMBIKBG-UHFFFAOYSA-N 1 0 382.370 3.570 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC001308370186 1049960741 /nfs/dbraw/zinc/96/07/41/1049960741.db2.gz YTOINRNPXNFHBG-LJQANCHMSA-N 1 0 388.305 3.544 20 30 GHEDRO N#Cc1c(F)cccc1C[NH2+]CCc1ccc(I)cc1 ZINC001308877467 1050135506 /nfs/dbraw/zinc/13/55/06/1050135506.db2.gz KTUGTNVCUSFUDF-UHFFFAOYSA-N 1 0 380.204 3.634 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC001309055479 1050307715 /nfs/dbraw/zinc/30/77/15/1050307715.db2.gz BNUNJKMHCAPMQS-OAQYLSRUSA-N 1 0 378.582 3.840 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001309088621 1050339591 /nfs/dbraw/zinc/33/95/91/1050339591.db2.gz SYJKBHFGDQGVHE-OAQYLSRUSA-N 1 0 397.544 3.618 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001309088620 1050340435 /nfs/dbraw/zinc/34/04/35/1050340435.db2.gz SYJKBHFGDQGVHE-NRFANRHFSA-N 1 0 397.544 3.618 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)s1 ZINC001327978429 1050343674 /nfs/dbraw/zinc/34/36/74/1050343674.db2.gz PSOAZGHVVLRAMK-CQSZACIVSA-N 1 0 385.986 3.535 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001328398383 1050495475 /nfs/dbraw/zinc/49/54/75/1050495475.db2.gz KVEPGWBFMKGJII-SYNHAJSKSA-N 1 0 391.918 3.917 20 30 GHEDRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001329143616 1050732762 /nfs/dbraw/zinc/73/27/62/1050732762.db2.gz VTDKPDGYPSYEIA-HNNXBMFYSA-N 1 0 378.451 3.738 20 30 GHEDRO COc1cc(C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001329643747 1050871105 /nfs/dbraw/zinc/87/11/05/1050871105.db2.gz VAZWMMTZEVDMIA-OAQYLSRUSA-N 1 0 377.488 3.692 20 30 GHEDRO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH]n1 ZINC001331172388 1051206647 /nfs/dbraw/zinc/20/66/47/1051206647.db2.gz IATLJBQTAQIQGG-QGZVFWFLSA-N 1 0 376.464 3.834 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cnn1C ZINC001332362562 1051506703 /nfs/dbraw/zinc/50/67/03/1051506703.db2.gz YGENSDWHXQFXJD-JKSUJKDBSA-N 1 0 389.544 3.699 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001310783172 1051587771 /nfs/dbraw/zinc/58/77/71/1051587771.db2.gz BWAIMAZFPBXBHN-CQSZACIVSA-N 1 0 390.553 3.634 20 30 GHEDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C=NNCC[NH+]2CCCCC2)o1 ZINC001332928131 1051606093 /nfs/dbraw/zinc/60/60/93/1051606093.db2.gz CWBZDZDHOLXVKT-UHFFFAOYSA-N 1 0 376.844 3.918 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001310862486 1051661916 /nfs/dbraw/zinc/66/19/16/1051661916.db2.gz KFDABHGTOYYWLZ-BETUJISGSA-N 1 0 382.302 3.570 20 30 GHEDRO COc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(F)cc1C#N ZINC001311033488 1051790769 /nfs/dbraw/zinc/79/07/69/1051790769.db2.gz NXECNRQUAVGHRS-GOSISDBHSA-N 1 0 376.476 3.584 20 30 GHEDRO CCN(C(=O)Nc1cc(C)c(C#N)cn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001311070487 1051824879 /nfs/dbraw/zinc/82/48/79/1051824879.db2.gz PRFGSLRXPBRCPQ-XLIONFOSSA-N 1 0 377.492 3.951 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)c1ccc(F)c(F)c1 ZINC001333813116 1051845829 /nfs/dbraw/zinc/84/58/29/1051845829.db2.gz DIZGQEFVNFZOKA-LJCCNALRSA-N 1 0 377.479 3.954 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C[C@@H]2C1 ZINC001333932631 1051871280 /nfs/dbraw/zinc/87/12/80/1051871280.db2.gz VKGIDQSLOHNSJX-GBESFXJTSA-N 1 0 393.487 3.533 20 30 GHEDRO N#CCc1ccccc1CC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001334859492 1051991780 /nfs/dbraw/zinc/99/17/80/1051991780.db2.gz PYBMPOXQXSKQFL-SGNDLWITSA-N 1 0 387.527 3.712 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001336224053 1052240292 /nfs/dbraw/zinc/24/02/92/1052240292.db2.gz SCZINAMGHKUQAT-SVPADUAOSA-N 1 0 388.515 3.527 20 30 GHEDRO Cn1cncc1C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC001337459956 1052477865 /nfs/dbraw/zinc/47/78/65/1052477865.db2.gz XWRNIMUYNFWVQO-UHFFFAOYSA-N 1 0 383.402 3.825 20 30 GHEDRO C[N@H+](CCCOc1ccccc1CNC(=O)N1CCC[C@@H](C#N)C1)C1CCCC1 ZINC001312150342 1052599905 /nfs/dbraw/zinc/59/99/05/1052599905.db2.gz YSAMUKZHFFQKIX-IBGZPJMESA-N 1 0 398.551 3.775 20 30 GHEDRO N#CCC[C@@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC001312339717 1052702716 /nfs/dbraw/zinc/70/27/16/1052702716.db2.gz ZMUFKTXSMVGEEN-ZLNRFVROSA-N 1 0 388.515 3.947 20 30 GHEDRO C#C[C@H](NC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001312941212 1052916944 /nfs/dbraw/zinc/91/69/44/1052916944.db2.gz XYTOZENYZNAWOO-QHCPKHFHSA-N 1 0 375.516 3.962 20 30 GHEDRO C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342352061 1053123755 /nfs/dbraw/zinc/12/37/55/1053123755.db2.gz KAPZEKNBKGBQPY-UHFFFAOYSA-N 1 0 390.535 3.652 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001342368477 1053132325 /nfs/dbraw/zinc/13/23/25/1053132325.db2.gz PTDSAXMXYYPEFU-GOSISDBHSA-N 1 0 375.586 3.529 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001313714907 1053186804 /nfs/dbraw/zinc/18/68/04/1053186804.db2.gz WHRCEQPEEBHRJL-CTNGQTDRSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(F)(F)F ZINC001313721623 1053189867 /nfs/dbraw/zinc/18/98/67/1053189867.db2.gz GMXVACKFQYLGRQ-CQSZACIVSA-N 1 0 394.445 3.546 20 30 GHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1)C(C)C ZINC001313807099 1053240471 /nfs/dbraw/zinc/24/04/71/1053240471.db2.gz CAONHSKMTPPYDO-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OCC1(C#N)CCOCC1 ZINC001342646503 1053282280 /nfs/dbraw/zinc/28/22/80/1053282280.db2.gz QAEXABRPNYEIMJ-NHCUHLMSSA-N 1 0 384.520 3.644 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1C1(OCC)CCC1 ZINC001342721267 1053319714 /nfs/dbraw/zinc/31/97/14/1053319714.db2.gz CLEJJLSFJDKCHL-IBGZPJMESA-N 1 0 387.572 3.582 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@H]3C[C@@H]3C#N)n2CC(C)C)CC1 ZINC001342888458 1053411189 /nfs/dbraw/zinc/41/11/89/1053411189.db2.gz CXYCTJNVSNNHAR-MOPGFXCFSA-N 1 0 384.572 3.796 20 30 GHEDRO CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCC1 ZINC001314755502 1053591900 /nfs/dbraw/zinc/59/19/00/1053591900.db2.gz JJGLTKOZSWJYDJ-UHFFFAOYSA-N 1 0 392.532 3.610 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001343342898 1053717303 /nfs/dbraw/zinc/71/73/03/1053717303.db2.gz DIKDQZKZJLYYEC-LEWJYISDSA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(C#N)CCCC1 ZINC001343534755 1053850322 /nfs/dbraw/zinc/85/03/22/1053850322.db2.gz NPCOHLVJVQPNQJ-UYAOXDASSA-N 1 0 394.567 3.643 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001343657400 1053952988 /nfs/dbraw/zinc/95/29/88/1053952988.db2.gz SOGAGPURCMLEHB-CQSZACIVSA-N 1 0 394.976 3.799 20 30 GHEDRO Cn1ccnc1[C@H](C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001343706435 1053980270 /nfs/dbraw/zinc/98/02/70/1053980270.db2.gz ZWVIOGLXIFEPEK-GUDVDZBRSA-N 1 0 390.512 3.574 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001343752761 1054000125 /nfs/dbraw/zinc/00/01/25/1054000125.db2.gz WITIKGVNJJUMCX-QWFCFKBJSA-N 1 0 382.556 3.715 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001343765206 1054008328 /nfs/dbraw/zinc/00/83/28/1054008328.db2.gz NJZNDERTTGRDHM-SFHVURJKSA-N 1 0 382.556 3.712 20 30 GHEDRO CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC001317915632 1054308126 /nfs/dbraw/zinc/30/81/26/1054308126.db2.gz OSHBPGGGZHOIQI-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO Cc1cc(NC(=O)c2ccccc2SCC#N)ccc1N1CC[NH+](C)CC1 ZINC001318272174 1054538278 /nfs/dbraw/zinc/53/82/78/1054538278.db2.gz XOIJGHODZJYIJJ-UHFFFAOYSA-N 1 0 380.517 3.615 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001318455075 1054651730 /nfs/dbraw/zinc/65/17/30/1054651730.db2.gz XOXCBRCGJSJTBJ-ZWKOTPCHSA-N 1 0 383.521 3.600 20 30 GHEDRO C[NH+]1CCN(c2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC001318462417 1054656139 /nfs/dbraw/zinc/65/61/39/1054656139.db2.gz YONTWLOUXWSUKL-UHFFFAOYSA-N 1 0 380.517 3.503 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccc(C#N)c(Cl)c2)ccc1N1CC[NH+](C)CC1 ZINC001344676351 1054657917 /nfs/dbraw/zinc/65/79/17/1054657917.db2.gz IUOUSMKTHLDJMB-UHFFFAOYSA-N 1 0 397.910 3.594 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001320038450 1055614448 /nfs/dbraw/zinc/61/44/48/1055614448.db2.gz SKLDGEZGQFYLAK-QHCPKHFHSA-N 1 0 399.579 3.708 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)C2=O)cc1 ZINC001320159383 1055681762 /nfs/dbraw/zinc/68/17/62/1055681762.db2.gz OKMHNRYLSJPVKI-AVRDEDQJSA-N 1 0 399.498 3.810 20 30 GHEDRO COCC[N@H+](Cc1sc(N2CCCCC2)nc1C)Cc1ccc(C#N)cc1 ZINC001320497774 1055843507 /nfs/dbraw/zinc/84/35/07/1055843507.db2.gz MYVVLGDWGIGOTJ-UHFFFAOYSA-N 1 0 384.549 3.962 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300449702 1056130005 /nfs/dbraw/zinc/13/00/05/1056130005.db2.gz MMRJRFJFAUUISO-WZONZLPQSA-N 1 0 379.552 3.833 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2F)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300449708 1056130010 /nfs/dbraw/zinc/13/00/10/1056130010.db2.gz MSJZYCBIENALQH-KDURUIRLSA-N 1 0 397.542 3.912 20 30 GHEDRO C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001300457424 1056164768 /nfs/dbraw/zinc/16/47/68/1056164768.db2.gz CWPGNYKXBAAKKH-SFTDATJTSA-N 1 0 395.551 3.672 20 30 GHEDRO C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[N@@H+](C)C(C)C ZINC001300473130 1056218499 /nfs/dbraw/zinc/21/84/99/1056218499.db2.gz OWZCKOJITNLKIO-UHFFFAOYSA-N 1 0 397.567 3.699 20 30 GHEDRO C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001300476142 1056231439 /nfs/dbraw/zinc/23/14/39/1056231439.db2.gz GNESGUGBLOYIBT-IBGZPJMESA-N 1 0 397.592 3.680 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001300510980 1056328404 /nfs/dbraw/zinc/32/84/04/1056328404.db2.gz BZBPIWLOYIALEF-HXUWFJFHSA-N 1 0 395.938 3.546 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccc(CC)cc2)c2cccc(F)c2)CC1 ZINC001322062567 1056498617 /nfs/dbraw/zinc/49/86/17/1056498617.db2.gz GFARZOPNOIRTGS-HSZRJFAPSA-N 1 0 378.491 3.939 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300583118 1056544456 /nfs/dbraw/zinc/54/44/56/1056544456.db2.gz CLVNQKSVFPENBB-SFTDATJTSA-N 1 0 397.611 3.698 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300583116 1056544616 /nfs/dbraw/zinc/54/46/16/1056544616.db2.gz CLVNQKSVFPENBB-OYRHEFFESA-N 1 0 397.611 3.698 20 30 GHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001354347821 1056550088 /nfs/dbraw/zinc/55/00/88/1056550088.db2.gz UMRNQMKUKLIFEA-UEVCKROQSA-N 1 0 399.579 3.926 20 30 GHEDRO C#CCN(CC)c1nnc(C2CC2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001300621994 1056696905 /nfs/dbraw/zinc/69/69/05/1056696905.db2.gz SUKYRQKCGDNCDG-NRFANRHFSA-N 1 0 377.536 3.526 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001322487841 1056726360 /nfs/dbraw/zinc/72/63/60/1056726360.db2.gz ALAAYGFNABRIMD-HXUWFJFHSA-N 1 0 375.472 3.969 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21)C(C)C ZINC001323971871 1057046807 /nfs/dbraw/zinc/04/68/07/1057046807.db2.gz RCCIMZKSRXLOAX-UXHICEINSA-N 1 0 387.572 3.839 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CC[NH+](C(C)(C)CC)CC2)c1=S ZINC000848495647 1057129620 /nfs/dbraw/zinc/12/96/20/1057129620.db2.gz MNDLKEQXVCZZBS-UHFFFAOYSA-N 1 0 375.542 3.624 20 30 GHEDRO N#CCCCC[C@@H](N)c1nc(Cc2ccc(OCc3ccccn3)cc2)no1 ZINC000848624149 1057212129 /nfs/dbraw/zinc/21/21/29/1057212129.db2.gz KHMSFYNWVHUQNQ-LJQANCHMSA-N 1 0 377.448 3.718 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H](CC)C1 ZINC001355864469 1057297941 /nfs/dbraw/zinc/29/79/41/1057297941.db2.gz WRSNYGWDVKTCTK-QUCCMNQESA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(CC(F)F)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001355967778 1057336714 /nfs/dbraw/zinc/33/67/14/1057336714.db2.gz HAMBCEKPKMYOME-AEFFLSMTSA-N 1 0 389.494 3.761 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1C(C)(C)c1nccs1 ZINC001356112428 1057394185 /nfs/dbraw/zinc/39/41/85/1057394185.db2.gz UDVBMIXBXZMLLM-UHFFFAOYSA-N 1 0 388.585 3.557 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1 ZINC000848900080 1057407973 /nfs/dbraw/zinc/40/79/73/1057407973.db2.gz ATFOLAUQSCBQED-JOCHJYFZSA-N 1 0 377.488 3.802 20 30 GHEDRO C=C(C)Cn1c(COCC2CC2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001356210979 1057430953 /nfs/dbraw/zinc/43/09/53/1057430953.db2.gz TZCRFNVWCFBLPW-UHFFFAOYSA-N 1 0 387.572 3.626 20 30 GHEDRO CCn1c(CC(C)(C)C#N)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001356562862 1057549939 /nfs/dbraw/zinc/54/99/39/1057549939.db2.gz ZFCHKUSYFZBHTF-UHFFFAOYSA-N 1 0 388.604 3.975 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001356578387 1057555433 /nfs/dbraw/zinc/55/54/33/1057555433.db2.gz NTUHQXKWLDGWDE-NJDAHSKKSA-N 1 0 390.535 3.582 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000849078673 1057583647 /nfs/dbraw/zinc/58/36/47/1057583647.db2.gz JUWGCWBKGQBCGC-HXUWFJFHSA-N 1 0 385.533 3.520 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001327192382 1057618508 /nfs/dbraw/zinc/61/85/08/1057618508.db2.gz RHJRFEFDYFNMGD-UHFFFAOYSA-N 1 0 379.445 3.792 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001357179567 1057626142 /nfs/dbraw/zinc/62/61/42/1057626142.db2.gz WNFWGVMBZMLOOQ-UHFFFAOYSA-N 1 0 381.615 3.643 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H]4CCCC[C@H]4C3)CC2)c1 ZINC001327281383 1057632834 /nfs/dbraw/zinc/63/28/34/1057632834.db2.gz BWXJISIOVQDSIO-RTWAWAEBSA-N 1 0 380.536 3.744 20 30 GHEDRO C=C(C)c1cccc(NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC001337940623 1058337683 /nfs/dbraw/zinc/33/76/83/1058337683.db2.gz HOKUOHFWYDLUCO-UHFFFAOYSA-N 1 0 381.476 3.627 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001440047015 1058400266 /nfs/dbraw/zinc/40/02/66/1058400266.db2.gz NJFZWHKRHCZKTD-AABGKKOBSA-N 1 0 377.463 3.728 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC001338168666 1058433306 /nfs/dbraw/zinc/43/33/06/1058433306.db2.gz WWWSTQNGZKGIFI-FQEVSTJZSA-N 1 0 377.488 3.664 20 30 GHEDRO C=CCn1c([C@H](C)C(C)(C)O)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001339041184 1058936348 /nfs/dbraw/zinc/93/63/48/1058936348.db2.gz WBPUAEUXFXIFSJ-SFHVURJKSA-N 1 0 389.588 3.573 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001339249931 1059039893 /nfs/dbraw/zinc/03/98/93/1059039893.db2.gz KWUMYZFAFNJLPL-KCLUMXDGSA-N 1 0 399.583 3.795 20 30 GHEDRO CCn1c(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nnc1C(C)(C)C#N ZINC001339382360 1059159335 /nfs/dbraw/zinc/15/93/35/1059159335.db2.gz LYFMZHQPMYLJPZ-PMACEKPBSA-N 1 0 392.551 3.590 20 30 GHEDRO CCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)CC#N ZINC001339455010 1059226233 /nfs/dbraw/zinc/22/62/33/1059226233.db2.gz DOMUJRNPGRRPME-AZUAARDMSA-N 1 0 394.567 3.979 20 30 GHEDRO C=CCn1c(N2CCC([NH+](CC)CC)CC2)nnc1C(C)(C)c1nccs1 ZINC001339815032 1059495460 /nfs/dbraw/zinc/49/54/60/1059495460.db2.gz SIZHKHHSWSKSLU-UHFFFAOYSA-N 1 0 388.585 3.557 20 30 GHEDRO C=CCn1c(C[C@H](C)SCC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340528841 1059965256 /nfs/dbraw/zinc/96/52/56/1059965256.db2.gz DFBSIJAYOFDVBZ-JENIJYKNSA-N 1 0 389.613 3.601 20 30 GHEDRO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001340641605 1060013665 /nfs/dbraw/zinc/01/36/65/1060013665.db2.gz OXKMJNXPMAEKKL-DOTOQJQBSA-N 1 0 379.499 3.678 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](CC)CC[C@H]1C ZINC001340776709 1060116878 /nfs/dbraw/zinc/11/68/78/1060116878.db2.gz FSTDNTBXNIGZAK-GGPKGHCWSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448884327 1060292859 /nfs/dbraw/zinc/29/28/59/1060292859.db2.gz PWFFBANOMNOMGF-RBUKOAKNSA-N 1 0 395.588 3.626 20 30 GHEDRO [NH3+]CCCCCCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001341308160 1060569957 /nfs/dbraw/zinc/56/99/57/1060569957.db2.gz HLZWHOJGMPUJBG-UWVGGRQHSA-N 1 0 396.322 3.525 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCCCC#N)n2Cc2ccccc2)CC1 ZINC001341368271 1060616569 /nfs/dbraw/zinc/61/65/69/1060616569.db2.gz PHLKOGPQDOZHMY-UHFFFAOYSA-N 1 0 394.567 3.873 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001341668178 1060800142 /nfs/dbraw/zinc/80/01/42/1060800142.db2.gz IYHMRUJEKAQCRM-KRXYWNSISA-N 1 0 391.510 3.505 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342006435 1060993151 /nfs/dbraw/zinc/99/31/51/1060993151.db2.gz LKOTTYKNEDAALM-UHFFFAOYSA-N 1 0 398.580 3.920 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001342039814 1061015518 /nfs/dbraw/zinc/01/55/18/1061015518.db2.gz XVFQLWOSUHVQOO-UXHICEINSA-N 1 0 384.572 3.820 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342121274 1061068839 /nfs/dbraw/zinc/06/88/39/1061068839.db2.gz KCJVINYSWNASOO-IBGZPJMESA-N 1 0 394.567 3.856 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001342171809 1061103067 /nfs/dbraw/zinc/10/30/67/1061103067.db2.gz GVMRYTQQGVLXOT-HLAWJBBLSA-N 1 0 390.535 3.582 20 30 GHEDRO C=C(C)Cn1c([C@H](OC)c2cccs2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001345951295 1061237558 /nfs/dbraw/zinc/23/75/58/1061237558.db2.gz JJUBSQLUGUAQJJ-GOSISDBHSA-N 1 0 389.569 3.618 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCCCC3)CC2)nnc1C(C)(C)C#N ZINC001345994871 1061271719 /nfs/dbraw/zinc/27/17/19/1061271719.db2.gz WWWAGAYSFWWGCX-UHFFFAOYSA-N 1 0 384.572 3.890 20 30 GHEDRO C=C(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001346483559 1061595597 /nfs/dbraw/zinc/59/55/97/1061595597.db2.gz IRFMVHHBIFHBDQ-UHFFFAOYSA-N 1 0 394.523 3.831 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001346691143 1061795946 /nfs/dbraw/zinc/79/59/46/1061795946.db2.gz DXOGBJZFEYMXMS-OTWHNJEPSA-N 1 0 389.613 3.631 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCC[C@H]2C#N)C1 ZINC001454653265 1061902617 /nfs/dbraw/zinc/90/26/17/1061902617.db2.gz UZGCRLKVAHSJBD-PXNSSMCTSA-N 1 0 378.520 3.558 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCC[C@H]2C#N)C1 ZINC001454653260 1061902782 /nfs/dbraw/zinc/90/27/82/1061902782.db2.gz UZGCRLKVAHSJBD-FXAWDEMLSA-N 1 0 378.520 3.558 20 30 GHEDRO O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001454670258 1061906955 /nfs/dbraw/zinc/90/69/55/1061906955.db2.gz SOESOIWSFKNOEM-OOZJCBPQSA-N 1 0 394.490 3.969 20 30 GHEDRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545809856 1062014382 /nfs/dbraw/zinc/01/43/82/1062014382.db2.gz LRIKVVQTBAZRSY-IBGZPJMESA-N 1 0 397.571 3.770 20 30 GHEDRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)CC#N)[NH+](C)C ZINC001545814587 1062020718 /nfs/dbraw/zinc/02/07/18/1062020718.db2.gz DAMXDIKEXMSRJQ-NZSAHSFTSA-N 1 0 390.576 3.624 20 30 GHEDRO N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)c2)cc1 ZINC001455779747 1062288106 /nfs/dbraw/zinc/28/81/06/1062288106.db2.gz IWHOODNEKYOLQE-LEWJYISDSA-N 1 0 392.528 3.611 20 30 GHEDRO N#Cc1cccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1Br ZINC001435388770 1062564050 /nfs/dbraw/zinc/56/40/50/1062564050.db2.gz WXTSELDGEFYIQS-UHFFFAOYSA-N 1 0 390.325 3.848 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2CC2CC2)CC1 ZINC001348948703 1063435175 /nfs/dbraw/zinc/43/51/75/1063435175.db2.gz QDRYVLKUHPGFNC-RTBURBONSA-N 1 0 382.556 3.550 20 30 GHEDRO N#Cc1cc(N2CCN(c3cc[nH+]c4ccccc43)CC2)ncc1Br ZINC001458468582 1063829900 /nfs/dbraw/zinc/82/99/00/1063829900.db2.gz LFDKKDNHFRYKPM-UHFFFAOYSA-N 1 0 394.276 3.591 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)cc1OC ZINC001437875328 1063945995 /nfs/dbraw/zinc/94/59/95/1063945995.db2.gz QPABHUNMJIXCPX-YVCNKMEGSA-N 1 0 386.536 3.995 20 30 GHEDRO C=CCc1cc(OC)ccc1OC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC001350250642 1064035577 /nfs/dbraw/zinc/03/55/77/1064035577.db2.gz QUXSNRGNWBFPJR-NTEUORMPSA-N 1 0 381.472 3.983 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001459350800 1064070737 /nfs/dbraw/zinc/07/07/37/1064070737.db2.gz ZONMHEFBTXZURX-LJQANCHMSA-N 1 0 395.588 3.748 20 30 GHEDRO C[C@@H](CN1CCOCC1)[N@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001459460739 1064104046 /nfs/dbraw/zinc/10/40/46/1064104046.db2.gz ZNNJUVDXZYBXEI-FQEVSTJZSA-N 1 0 382.935 3.914 20 30 GHEDRO CC1(C)CCC[C@@H]1[N@@H+](Cc1ccccc1)Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459604762 1064139869 /nfs/dbraw/zinc/13/98/69/1064139869.db2.gz UZWUBZLSJNKCRQ-IBGZPJMESA-N 1 0 375.476 3.887 20 30 GHEDRO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](COC)Cc1ccccc1 ZINC001459624465 1064147700 /nfs/dbraw/zinc/14/77/00/1064147700.db2.gz DTANFVUOTMKYLK-IBGZPJMESA-N 1 0 385.895 3.730 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001351452175 1064454296 /nfs/dbraw/zinc/45/42/96/1064454296.db2.gz AKAQLOXIEAQZAO-FUHWJXTLSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CCn1c([C@@H](CC)OCC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001351749932 1064586420 /nfs/dbraw/zinc/58/64/20/1064586420.db2.gz AWWNXBSUZBRNOG-GOSISDBHSA-N 1 0 375.561 3.797 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C)c(C#N)c2)CC1 ZINC001351782962 1064600418 /nfs/dbraw/zinc/60/04/18/1064600418.db2.gz ZOIPWSDQYPRXCG-QGZVFWFLSA-N 1 0 394.494 3.639 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001352149611 1064885316 /nfs/dbraw/zinc/88/53/16/1064885316.db2.gz CGOCZEJQCIUFKI-NQIIRXRSSA-N 1 0 395.551 3.977 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1 ZINC001464474288 1065033178 /nfs/dbraw/zinc/03/31/78/1065033178.db2.gz RCAYKRQEVJZDPA-UHFFFAOYSA-N 1 0 393.487 3.942 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001464646474 1065134885 /nfs/dbraw/zinc/13/48/85/1065134885.db2.gz FNQASKVDNMCMKK-UHFFFAOYSA-N 1 0 375.463 3.811 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CC[C@H](CC)C2)C(C)C ZINC001464868079 1065252304 /nfs/dbraw/zinc/25/23/04/1065252304.db2.gz DDFAZNPOXSTKFZ-UWJYYQICSA-N 1 0 385.552 3.731 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH]nc1-c1c(F)cccc1F)C(C)C ZINC001464871613 1065253415 /nfs/dbraw/zinc/25/34/15/1065253415.db2.gz PZBVRYXZWOTHSQ-GOSISDBHSA-N 1 0 388.462 3.783 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C[C@H]2C1 ZINC001352773929 1065298390 /nfs/dbraw/zinc/29/83/90/1065298390.db2.gz GKIDWZMPGIKGJB-MIZPHKNDSA-N 1 0 388.515 3.675 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000847496288 1065455580 /nfs/dbraw/zinc/45/55/80/1065455580.db2.gz OJQHUZCAMMSIDC-NHCUHLMSSA-N 1 0 377.488 3.506 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc3sc(Br)cc3s2)CC1 ZINC001465396396 1065586163 /nfs/dbraw/zinc/58/61/63/1065586163.db2.gz FBAXPYBRGOWKRG-UHFFFAOYSA-N 1 0 397.363 3.943 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)C)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001300273891 1065903501 /nfs/dbraw/zinc/90/35/01/1065903501.db2.gz SDYLEKLPPVNLPP-GHTZIAJQSA-N 1 0 395.551 3.705 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001300280420 1065915264 /nfs/dbraw/zinc/91/52/64/1065915264.db2.gz DFISUASXZAQVMG-HNAYVOBHSA-N 1 0 395.482 3.746 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)C[NH+](C)C ZINC001300290346 1065935443 /nfs/dbraw/zinc/93/54/43/1065935443.db2.gz MSPVSKQSOHEQMC-QGZVFWFLSA-N 1 0 390.535 3.539 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)c2cc(F)c(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001466126388 1065990554 /nfs/dbraw/zinc/99/05/54/1065990554.db2.gz QEHUETPLLKQYLA-DOTOQJQBSA-N 1 0 383.442 3.867 20 30 GHEDRO N#CC1(COC(=O)C2SCCCS2)CC[NH+](Cc2ccccc2)CC1 ZINC000847746208 1066015889 /nfs/dbraw/zinc/01/58/89/1066015889.db2.gz BXGILZNIYGQMNI-UHFFFAOYSA-N 1 0 376.547 3.532 20 30 GHEDRO Cc1ncsc1CCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746415 1066016432 /nfs/dbraw/zinc/01/64/32/1066016432.db2.gz HIWMBVQVIGGIQF-UHFFFAOYSA-N 1 0 383.517 3.733 20 30 GHEDRO Cc1cccnc1/C=C/C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746210 1066017204 /nfs/dbraw/zinc/01/72/04/1066017204.db2.gz ANNIRJNFWPBYFR-MDZDMXLPSA-N 1 0 375.472 3.752 20 30 GHEDRO C[C@@H](Oc1cccc(F)c1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745914 1066019261 /nfs/dbraw/zinc/01/92/61/1066019261.db2.gz QYXPJQDQQWMYPX-GOSISDBHSA-N 1 0 396.462 3.942 20 30 GHEDRO N#CC1(COC(=O)c2nc(Cl)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000847747446 1066022462 /nfs/dbraw/zinc/02/24/62/1066022462.db2.gz IKTXVSMJFZMWBS-UHFFFAOYSA-N 1 0 375.881 3.759 20 30 GHEDRO C/C(=C\c1cccnc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747046 1066026553 /nfs/dbraw/zinc/02/65/53/1066026553.db2.gz JSFNVSSSHHEPRA-XMHGGMMESA-N 1 0 375.472 3.834 20 30 GHEDRO CN(C)c1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847748147 1066030531 /nfs/dbraw/zinc/03/05/31/1066030531.db2.gz YTQPAORZUWQVSK-UHFFFAOYSA-N 1 0 377.488 3.715 20 30 GHEDRO N#CC1(COC(=O)[C@H](F)Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748113 1066030899 /nfs/dbraw/zinc/03/08/99/1066030899.db2.gz XRTRJVWTQPLVTE-OAQYLSRUSA-N 1 0 380.463 3.916 20 30 GHEDRO C=CC[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001466522681 1066178990 /nfs/dbraw/zinc/17/89/90/1066178990.db2.gz UDSKKWQLFCQXBV-OEMFJLHTSA-N 1 0 392.543 3.511 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)ccc1OC ZINC001200459734 1066289855 /nfs/dbraw/zinc/28/98/55/1066289855.db2.gz IRRXPDSDSQYMRS-MRXNPFEDSA-N 1 0 391.512 3.769 20 30 GHEDRO C[C@]12CN(C(=O)Nc3ccc(C#N)c(F)c3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001466773295 1066306692 /nfs/dbraw/zinc/30/66/92/1066306692.db2.gz WLALKRAZKUUHSS-GCJKJVERSA-N 1 0 378.451 3.683 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)CC1 ZINC001467200109 1067146724 /nfs/dbraw/zinc/14/67/24/1067146724.db2.gz RJXOBGBHUPZQKC-UHFFFAOYSA-N 1 0 393.487 3.698 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)c2cccs2)CC1 ZINC001467312116 1067218566 /nfs/dbraw/zinc/21/85/66/1067218566.db2.gz AQXNFSXCUUFTNC-HIFRSBDPSA-N 1 0 388.459 3.665 20 30 GHEDRO C=C(C)c1cccc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001467478320 1067318197 /nfs/dbraw/zinc/31/81/97/1067318197.db2.gz QXWYWJVGIUILIT-QHCPKHFHSA-N 1 0 379.504 3.820 20 30 GHEDRO CN1CCC[C@@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1CCc1ccccc1 ZINC001357980785 1067354278 /nfs/dbraw/zinc/35/42/78/1067354278.db2.gz KKYIAAYKRCNNPP-JOCHJYFZSA-N 1 0 398.514 3.679 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN([C@H](C)c2ccccc2)CC1)C(C)C ZINC001467660764 1067404803 /nfs/dbraw/zinc/40/48/03/1067404803.db2.gz YKYVWRSEXPHNMZ-GGAORHGYSA-N 1 0 398.595 3.773 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)C(C)C ZINC001467660766 1067404856 /nfs/dbraw/zinc/40/48/56/1067404856.db2.gz YKYVWRSEXPHNMZ-GMAHTHKFSA-N 1 0 398.595 3.773 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 ZINC001467674757 1067411834 /nfs/dbraw/zinc/41/18/34/1067411834.db2.gz AUBZAUQYQWQEDF-BHIFYINESA-N 1 0 382.552 3.978 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001467689395 1067421887 /nfs/dbraw/zinc/42/18/87/1067421887.db2.gz OGZXTKCPJRWTII-HSZRJFAPSA-N 1 0 377.532 3.921 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001467727788 1067439882 /nfs/dbraw/zinc/43/98/82/1067439882.db2.gz QMPUVDRGQBLAIO-UHFFFAOYSA-N 1 0 388.943 3.782 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001467727956 1067439901 /nfs/dbraw/zinc/43/99/01/1067439901.db2.gz XSANUPCFMWACQJ-UHFFFAOYSA-N 1 0 375.513 3.542 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1C#N ZINC001468014706 1067565883 /nfs/dbraw/zinc/56/58/83/1067565883.db2.gz BWQKVUAXPNFLPU-GOSISDBHSA-N 1 0 386.496 3.521 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+](CC)C1CC1 ZINC001358877733 1067591052 /nfs/dbraw/zinc/59/10/52/1067591052.db2.gz JWEBHYCXQKOVPO-MRXNPFEDSA-N 1 0 377.492 3.634 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001358878833 1067591220 /nfs/dbraw/zinc/59/12/20/1067591220.db2.gz FGGSSDFDYCZENS-SFHVURJKSA-N 1 0 391.519 3.827 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001358878832 1067591348 /nfs/dbraw/zinc/59/13/48/1067591348.db2.gz FGGSSDFDYCZENS-GOSISDBHSA-N 1 0 391.519 3.827 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001358878630 1067591460 /nfs/dbraw/zinc/59/14/60/1067591460.db2.gz AHFJXQUNVUTHDC-GOSISDBHSA-N 1 0 391.563 3.840 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001358879488 1067591976 /nfs/dbraw/zinc/59/19/76/1067591976.db2.gz RYRVKDLEVJCTEO-HNAYVOBHSA-N 1 0 395.482 3.746 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CCC1CC[NH+](CC)CC1 ZINC001358882640 1067594259 /nfs/dbraw/zinc/59/42/59/1067594259.db2.gz DWVHQRHYIFWXPN-KRWDZBQOSA-N 1 0 383.515 3.664 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001358895414 1067601943 /nfs/dbraw/zinc/60/19/43/1067601943.db2.gz IYNCBTHOAORUSZ-DYESRHJHSA-N 1 0 397.542 3.911 20 30 GHEDRO C#Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC001468174802 1067620646 /nfs/dbraw/zinc/62/06/46/1067620646.db2.gz KVMRUYYECCRAHF-HSZRJFAPSA-N 1 0 375.516 3.940 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001359015204 1067655142 /nfs/dbraw/zinc/65/51/42/1067655142.db2.gz LNSNHPVDYGHMFA-LJQANCHMSA-N 1 0 383.515 3.522 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC[NH+]1CCC(C)CC1 ZINC001359068248 1067669101 /nfs/dbraw/zinc/66/91/01/1067669101.db2.gz TUHWQBLKRVDSHW-HSZRJFAPSA-N 1 0 395.526 3.808 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCC[NH+](CC)CC ZINC001359067761 1067669283 /nfs/dbraw/zinc/66/92/83/1067669283.db2.gz AFNKSKZQRJENKX-HSZRJFAPSA-N 1 0 395.551 3.678 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CC[NH+]1CCCCC1 ZINC001359110238 1067689344 /nfs/dbraw/zinc/68/93/44/1067689344.db2.gz FUQVPSHNNTYMOZ-UHFFFAOYSA-N 1 0 383.540 3.842 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC[N@@H+]1CCC[C@@H]1C ZINC001359114371 1067692925 /nfs/dbraw/zinc/69/29/25/1067692925.db2.gz JMJXANTUJJGSMW-IBGZPJMESA-N 1 0 397.567 3.764 20 30 GHEDRO C=C(Cl)Cn1c(COCC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359156636 1067714201 /nfs/dbraw/zinc/71/42/01/1067714201.db2.gz LXDLFBUZDBFESC-MSOLQXFVSA-N 1 0 395.979 3.658 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001359180338 1067741702 /nfs/dbraw/zinc/74/17/02/1067741702.db2.gz BAQNJXAJYFKNIF-UHFFFAOYSA-N 1 0 385.581 3.817 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001468550449 1067767759 /nfs/dbraw/zinc/76/77/59/1067767759.db2.gz YULWWHSYZHFYPV-FQEVSTJZSA-N 1 0 375.944 3.696 20 30 GHEDRO C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359205044 1067777505 /nfs/dbraw/zinc/77/75/05/1067777505.db2.gz JTFHNLBEUMXDBV-NRFANRHFSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001359218106 1067794349 /nfs/dbraw/zinc/79/43/49/1067794349.db2.gz XMFFNYCJBAHRMM-UYAOXDASSA-N 1 0 395.551 3.517 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359236984 1067843115 /nfs/dbraw/zinc/84/31/15/1067843115.db2.gz GVNDCGXSVPLWCB-UHFFFAOYSA-N 1 0 378.524 3.784 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359240115 1067849171 /nfs/dbraw/zinc/84/91/71/1067849171.db2.gz GJCCOUIGETUKNO-MJGOQNOKSA-N 1 0 383.540 3.534 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC001359248866 1067893896 /nfs/dbraw/zinc/89/38/96/1067893896.db2.gz FTKZWKILDAFXEE-ROUUACIJSA-N 1 0 380.540 3.615 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849534233 1067900221 /nfs/dbraw/zinc/90/02/21/1067900221.db2.gz HJOYXKZPOREOSB-YADHBBJMSA-N 1 0 386.584 3.829 20 30 GHEDRO C=CC[C@@H]1N(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCCC1(C)C ZINC000849582242 1067913036 /nfs/dbraw/zinc/91/30/36/1067913036.db2.gz LUGCHBWOENZBFC-ACRUOGEOSA-N 1 0 386.584 3.827 20 30 GHEDRO C#CCN(C(=O)NCc1ccc(-c2cccc(OC)c2)cc1)C1CC[NH+](C)CC1 ZINC001477891113 1078613397 /nfs/dbraw/zinc/61/33/97/1078613397.db2.gz ZJEFBLDVWAYEAF-UHFFFAOYSA-N 1 0 391.515 3.601 20 30 GHEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359290413 1067990392 /nfs/dbraw/zinc/99/03/92/1067990392.db2.gz ZTMRIMWGZSJKRJ-UHFFFAOYSA-N 1 0 385.581 3.843 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359313946 1068027931 /nfs/dbraw/zinc/02/79/31/1068027931.db2.gz UBPKWVJQLVFKQU-VAMGGRTRSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+](C)C(C)C)C1 ZINC001359317673 1068028932 /nfs/dbraw/zinc/02/89/32/1068028932.db2.gz NWJJWEOSZDGQEN-HXUWFJFHSA-N 1 0 397.567 3.765 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC1CC[NH+](C2CC2)CC1 ZINC001359469913 1068066856 /nfs/dbraw/zinc/06/68/56/1068066856.db2.gz MYKORLYXBBLCHD-MRXNPFEDSA-N 1 0 396.514 3.554 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359471842 1068067505 /nfs/dbraw/zinc/06/75/05/1068067505.db2.gz ALUYPSIZHLPZKC-GOSISDBHSA-N 1 0 380.540 3.664 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[NH+]1CCCCC1 ZINC001359472153 1068067987 /nfs/dbraw/zinc/06/79/87/1068067987.db2.gz GVENZTNWTLSRMM-QGZVFWFLSA-N 1 0 391.523 3.508 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001359547992 1068095140 /nfs/dbraw/zinc/09/51/40/1068095140.db2.gz KOVZAGVEEQGHAB-RBUKOAKNSA-N 1 0 396.514 3.658 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359706086 1068146357 /nfs/dbraw/zinc/14/63/57/1068146357.db2.gz SBPQLWLUNNGSFX-DENIHFKCSA-N 1 0 380.540 3.834 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359800257 1068194180 /nfs/dbraw/zinc/19/41/80/1068194180.db2.gz FMJIAQLXGZHKMC-IBGZPJMESA-N 1 0 386.588 3.729 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCc2ccccc2CC1 ZINC001360035154 1068324364 /nfs/dbraw/zinc/32/43/64/1068324364.db2.gz JLSSSKJKBIKHSM-UHFFFAOYSA-N 1 0 375.516 3.644 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001360097579 1068355103 /nfs/dbraw/zinc/35/51/03/1068355103.db2.gz MHQXBSKXLPTPCS-BGYRXZFFSA-N 1 0 392.551 3.639 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C ZINC001360130023 1068377834 /nfs/dbraw/zinc/37/78/34/1068377834.db2.gz ZTVBVJRFMUFZQA-QFIPXVFZSA-N 1 0 397.571 3.532 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cc(C#N)cs1 ZINC001469900358 1068459166 /nfs/dbraw/zinc/45/91/66/1068459166.db2.gz KKDRIRKTRUECCX-FQEVSTJZSA-N 1 0 384.549 3.918 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1C#N ZINC001478228414 1078775081 /nfs/dbraw/zinc/77/50/81/1078775081.db2.gz GFVNDRNSDHIYOC-ICSRJNTNSA-N 1 0 398.507 3.664 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC001460085374 1068771818 /nfs/dbraw/zinc/77/18/18/1068771818.db2.gz NOCQWQRJXRDTCG-GKCIPKSASA-N 1 0 385.895 3.886 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001460130729 1068799476 /nfs/dbraw/zinc/79/94/76/1068799476.db2.gz JOAMFNWMGZFRTR-FCHUYYIVSA-N 1 0 384.545 3.796 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460311779 1068919185 /nfs/dbraw/zinc/91/91/85/1068919185.db2.gz AAFZRFWHXHFNGR-INIZCTEOSA-N 1 0 377.479 3.618 20 30 GHEDRO COc1cc(C#N)ccc1OCCN(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001460359224 1068940962 /nfs/dbraw/zinc/94/09/62/1068940962.db2.gz FVQGNYKPXVMYCQ-INIZCTEOSA-N 1 0 395.286 3.918 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC001460527021 1068988194 /nfs/dbraw/zinc/98/81/94/1068988194.db2.gz IBIIYETVVWDKER-WHRZTLTBSA-N 1 0 382.552 3.516 20 30 GHEDRO Cc1ccc(C[C@@]2(C)CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC001460561699 1068997108 /nfs/dbraw/zinc/99/71/08/1068997108.db2.gz UZISIHRBXQGTGL-LADGPHEKSA-N 1 0 378.516 3.898 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1OC ZINC001460652533 1069058840 /nfs/dbraw/zinc/05/88/40/1069058840.db2.gz SODREPBZQBVSEV-WOJBJXKFSA-N 1 0 393.487 3.812 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]1CCCOC1 ZINC001460688265 1069088043 /nfs/dbraw/zinc/08/80/43/1069088043.db2.gz JFNGJZAWVPYJRA-RXVVDRJESA-N 1 0 394.519 3.699 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cccc4cccc2c43)cc1 ZINC001460816499 1069198844 /nfs/dbraw/zinc/19/88/44/1069198844.db2.gz LJWLDARQWYNELP-NRFANRHFSA-N 1 0 376.481 3.762 20 30 GHEDRO C#CCC1([NH2+]Cc2nc3sc(C(=O)OCC)c(C)c3c(N)n2)CCCCC1 ZINC001460829122 1069206237 /nfs/dbraw/zinc/20/62/37/1069206237.db2.gz OOVAEMDZHRYLBP-UHFFFAOYSA-N 1 0 386.521 3.574 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460876692 1069246623 /nfs/dbraw/zinc/24/66/23/1069246623.db2.gz ORVGAWKXDWDKHY-INIZCTEOSA-N 1 0 385.508 3.720 20 30 GHEDRO C#Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c1 ZINC001470511705 1072601338 /nfs/dbraw/zinc/60/13/38/1072601338.db2.gz RAFFUVMIHGINEJ-ZCNNSNEGSA-N 1 0 375.516 3.861 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccc(Cl)cc1 ZINC001470663039 1072675038 /nfs/dbraw/zinc/67/50/38/1072675038.db2.gz OFQTZXPDUGAXOP-NHCUHLMSSA-N 1 0 381.907 3.896 20 30 GHEDRO N#CCn1c(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc2ccccc21 ZINC001472551099 1073547935 /nfs/dbraw/zinc/54/79/35/1073547935.db2.gz LCHJQLLXJMISGK-UHFFFAOYSA-N 1 0 378.520 3.941 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)c1nccc(Oc2cccc(C#N)c2)n1 ZINC001472777366 1073661655 /nfs/dbraw/zinc/66/16/55/1073661655.db2.gz CCIDZSWPMSVZDZ-UHFFFAOYSA-N 1 0 377.448 3.692 20 30 GHEDRO Cc1cc(C#N)nc(N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)n1 ZINC001472789814 1073666661 /nfs/dbraw/zinc/66/66/61/1073666661.db2.gz FHEIRAQPXGTAFX-JOCHJYFZSA-N 1 0 377.536 3.826 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C(=O)OCC)C(C)(C)C ZINC001472961810 1073735748 /nfs/dbraw/zinc/73/57/48/1073735748.db2.gz DBWBIBRQHANELF-QGZVFWFLSA-N 1 0 394.585 3.562 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](Cc2cccc(C)c2)CC(C)C)c1 ZINC001473123500 1073791558 /nfs/dbraw/zinc/79/15/58/1073791558.db2.gz CJGIYLVWWXZGAT-UHFFFAOYSA-N 1 0 377.488 3.783 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)cc1 ZINC001473203640 1073856435 /nfs/dbraw/zinc/85/64/35/1073856435.db2.gz HMVZSBKZQNECTK-FQEVSTJZSA-N 1 0 375.516 3.824 20 30 GHEDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001473251149 1073889740 /nfs/dbraw/zinc/88/97/40/1073889740.db2.gz KDDAFPNNJCKFDF-QHCPKHFHSA-N 1 0 396.487 3.967 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCS[C@H](C)CC3)sc2C1 ZINC001473381672 1073942012 /nfs/dbraw/zinc/94/20/12/1073942012.db2.gz VBAFRHNJVCJYGW-ZIAGYGMSSA-N 1 0 377.579 3.901 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001473488265 1073986609 /nfs/dbraw/zinc/98/66/09/1073986609.db2.gz GHLXPEHTLZNGMA-LPHOPBHVSA-N 1 0 377.326 3.953 20 30 GHEDRO Cc1ccc(N2CCC[C@H]([N@H+](C)CCOCc3ccc(C#N)cc3)C2=O)cc1 ZINC001473517552 1073997744 /nfs/dbraw/zinc/99/77/44/1073997744.db2.gz OWNUWIRPXUXSQG-QFIPXVFZSA-N 1 0 377.488 3.511 20 30 GHEDRO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001473609819 1074045198 /nfs/dbraw/zinc/04/51/98/1074045198.db2.gz BVZYLCFKUAXWLQ-FQEVSTJZSA-N 1 0 393.487 3.913 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](CCOc3ccccc3C#N)C[C@]2(C)C1 ZINC001473686514 1074086896 /nfs/dbraw/zinc/08/68/96/1074086896.db2.gz FBVVIKNXRRISSZ-SZPZYZBQSA-N 1 0 385.508 3.516 20 30 GHEDRO CC[C@]1(C(=O)OC(C)(C)C)CCCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847246 1074172772 /nfs/dbraw/zinc/17/27/72/1074172772.db2.gz FSFIWKBPPMXYKG-GCJKJVERSA-N 1 0 386.492 3.606 20 30 GHEDRO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC001473849010 1074173566 /nfs/dbraw/zinc/17/35/66/1074173566.db2.gz YHEPHOUFNYXSRU-JOCHJYFZSA-N 1 0 388.508 3.780 20 30 GHEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001473851649 1074175435 /nfs/dbraw/zinc/17/54/35/1074175435.db2.gz GPQVARCABAOXPV-PKOBYXMFSA-N 1 0 394.556 3.853 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2Cc2ccc(O)cc2)cc1Cl ZINC001473875510 1074186578 /nfs/dbraw/zinc/18/65/78/1074186578.db2.gz QMDAJJYRDVWGBQ-SFHVURJKSA-N 1 0 383.879 3.953 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1OC ZINC001474076845 1074255947 /nfs/dbraw/zinc/25/59/47/1074255947.db2.gz KFOQTXMAKLTMEX-UHFFFAOYSA-N 1 0 382.932 3.944 20 30 GHEDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC001474226566 1074300345 /nfs/dbraw/zinc/30/03/45/1074300345.db2.gz HIIVTTPOSANOPS-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1OC ZINC001474234515 1074303661 /nfs/dbraw/zinc/30/36/61/1074303661.db2.gz CFTFRBPOTUZXAV-PUMWCKSCSA-N 1 0 394.309 3.536 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(F)c1I)C2 ZINC001474244105 1074307486 /nfs/dbraw/zinc/30/74/86/1074307486.db2.gz DNIVBBWKWLDDNT-OAHLLOKOSA-N 1 0 392.215 3.559 20 30 GHEDRO CC(C)[C@@H](CC[N@H+](C)Cc1cc(C#N)ccc1N(C)C)NC(=O)OC(C)(C)C ZINC001474332190 1074346460 /nfs/dbraw/zinc/34/64/60/1074346460.db2.gz AGYYFSVQNJRZMO-LJQANCHMSA-N 1 0 388.556 3.995 20 30 GHEDRO C[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001493410909 1079266644 /nfs/dbraw/zinc/26/66/44/1079266644.db2.gz PEIKFQREEQCQHE-MSOLQXFVSA-N 1 0 392.551 3.926 20 30 GHEDRO Cc1ccc(NC(=O)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(Cl)c1 ZINC001474590961 1074473882 /nfs/dbraw/zinc/47/38/82/1074473882.db2.gz RLCSCUFPLMTBDF-UHFFFAOYSA-N 1 0 393.878 3.649 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)CC1)C[NH+]1CCCC1 ZINC001493920231 1079309167 /nfs/dbraw/zinc/30/91/67/1079309167.db2.gz JFRCDOLDJJWSKI-LJQANCHMSA-N 1 0 392.551 3.785 20 30 GHEDRO Cc1cccc(S(=O)(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001475572886 1074917420 /nfs/dbraw/zinc/91/74/20/1074917420.db2.gz UCPSAPQBMXMHQK-FQEVSTJZSA-N 1 0 397.544 3.590 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C)nc1Br)C(C)C ZINC001476308137 1075121665 /nfs/dbraw/zinc/12/16/65/1075121665.db2.gz IWQWURHGFCNQJZ-INIZCTEOSA-N 1 0 395.345 3.973 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001496006359 1079446800 /nfs/dbraw/zinc/44/68/00/1079446800.db2.gz YCTJSBUEDSCQTQ-SJORKVTESA-N 1 0 380.540 3.782 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC1CC1)[NH+]1CCCC1 ZINC001497214934 1079486767 /nfs/dbraw/zinc/48/67/67/1079486767.db2.gz QAMWEXLZEKLTOW-OAQYLSRUSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@@H](Cn1c(C2CCCC2)nnc1N(CCC#N)CC1CC1)[NH+]1CCCC1 ZINC001497305375 1079490883 /nfs/dbraw/zinc/49/08/83/1079490883.db2.gz PMEBPPYIAGVHDX-FQEVSTJZSA-N 1 0 384.572 3.940 20 30 GHEDRO CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[NH+](C(C)C)CC2)CCC1 ZINC001497787155 1079511859 /nfs/dbraw/zinc/51/18/59/1079511859.db2.gz IHEUGOHZQYRXEX-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001497836715 1079519138 /nfs/dbraw/zinc/51/91/38/1079519138.db2.gz RDLKKZNLOYNFIX-KRWDZBQOSA-N 1 0 382.556 3.691 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCC1 ZINC001501975887 1079629145 /nfs/dbraw/zinc/62/91/45/1079629145.db2.gz XMEJIPHVYXFGLR-QGZVFWFLSA-N 1 0 380.540 3.783 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@H+](C)C(C)C ZINC001502078213 1079631496 /nfs/dbraw/zinc/63/14/96/1079631496.db2.gz LRCVUJDWCJFJSQ-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736793032 600593582 /nfs/dbraw/zinc/59/35/82/600593582.db2.gz IJDWJFHHHCJBCQ-VGSWGCGISA-N 1 0 377.488 3.706 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C1 ZINC000828266079 601300525 /nfs/dbraw/zinc/30/05/25/601300525.db2.gz ODUCCGQMRWUZIT-VGSWGCGISA-N 1 0 377.488 3.706 20 30 GHEDRO C[C@@H]1C[C@H](CC[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000833594983 605165992 /nfs/dbraw/zinc/16/59/92/605165992.db2.gz HQKNFEIDCPOZNW-PIPMEXSNSA-N 1 0 377.488 3.574 20 30 GHEDRO CC(C)[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824034822 608530978 /nfs/dbraw/zinc/53/09/78/608530978.db2.gz POYKUPIVIFTVAZ-MRXNPFEDSA-N 1 0 376.464 3.568 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164387950 718814095 /nfs/dbraw/zinc/81/40/95/718814095.db2.gz KPQQPZHITJTBIP-ZDUSSCGKSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc(Cl)n1 ZINC001164621370 719045792 /nfs/dbraw/zinc/04/57/92/719045792.db2.gz IZPJOSGEKTXWJE-IEBWSBKVSA-N 1 0 388.849 3.735 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164627523 719046405 /nfs/dbraw/zinc/04/64/05/719046405.db2.gz VSUMGSDHWWVZPE-VQIMIIECSA-N 1 0 388.849 3.735 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164897047 721515647 /nfs/dbraw/zinc/51/56/47/721515647.db2.gz DKFJWMZCAOZNMC-ICSRJNTNSA-N 1 0 380.467 3.558 20 30 GHEDRO N#Cc1c[nH]c2nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ccc12 ZINC001164993823 722202098 /nfs/dbraw/zinc/20/20/98/722202098.db2.gz BYLUSHMXYCZJFW-QFIPXVFZSA-N 1 0 375.451 3.819 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc2c(c1)OCCO2 ZINC000180641175 837429055 /nfs/dbraw/zinc/42/90/55/837429055.db2.gz MWTNCQYLPMQGEF-INIZCTEOSA-N 1 0 385.489 3.687 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)s2)cn1 ZINC000549008140 837445994 /nfs/dbraw/zinc/44/59/94/837445994.db2.gz HYCKYYBBKKERHF-KRWDZBQOSA-N 1 0 395.507 3.918 20 30 GHEDRO N#CC1(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000176664162 837483091 /nfs/dbraw/zinc/48/30/91/837483091.db2.gz XPBOPFGGRZTUNG-UHFFFAOYSA-N 1 0 391.515 3.515 20 30 GHEDRO COCCOc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1OC ZINC000120945881 837497985 /nfs/dbraw/zinc/49/79/85/837497985.db2.gz QAWPISCNZINYQX-UHFFFAOYSA-N 1 0 396.487 3.635 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC(F)F)cc1 ZINC000176714378 837510768 /nfs/dbraw/zinc/51/07/68/837510768.db2.gz MRTQEWNVDKXYCR-ABAIWWIYSA-N 1 0 377.416 3.677 20 30 GHEDRO COCC[N@H+]([C@H](C)c1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581647286 837557185 /nfs/dbraw/zinc/55/71/85/837557185.db2.gz YAOJRZHZTKHUTG-GCJKJVERSA-N 1 0 377.488 3.763 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)ccc1OC ZINC000180809693 837585420 /nfs/dbraw/zinc/58/54/20/837585420.db2.gz FHEFHMJIQMMSLK-HKUYNNGSSA-N 1 0 387.524 3.647 20 30 GHEDRO COc1cccc([C@H](CNC(=O)/C=C\c2ccccc2C#N)[NH+]2CCCC2)c1 ZINC000255082398 837702677 /nfs/dbraw/zinc/70/26/77/837702677.db2.gz PEZGIBQCSZTZAC-GJCOWUBNSA-N 1 0 375.472 3.533 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C#N ZINC000133646827 834520833 /nfs/dbraw/zinc/52/08/33/834520833.db2.gz HQFAKUXCEASAFQ-GFCCVEGCSA-N 1 0 393.413 3.584 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CCCC(C)(C)C1 ZINC000262334305 834524411 /nfs/dbraw/zinc/52/44/11/834524411.db2.gz BLZSDXZCVMTICJ-HCXYKTFWSA-N 1 0 397.629 3.504 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583554951 834632194 /nfs/dbraw/zinc/63/21/94/834632194.db2.gz BJQSDRYWMFEIHL-NBCNXNJRSA-N 1 0 380.536 3.888 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1ccccc1F ZINC000052485611 834799348 /nfs/dbraw/zinc/79/93/48/834799348.db2.gz NDTCEZJOFLLVJN-UHFFFAOYSA-N 1 0 390.528 3.803 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C(=O)OC)cc2)C(=S)N[C@@H](C)CC)cc1 ZINC000278376407 834878515 /nfs/dbraw/zinc/87/85/15/834878515.db2.gz YIOFPBAUCCXAJC-HNNXBMFYSA-O 1 0 399.536 3.650 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000511265029 834899346 /nfs/dbraw/zinc/89/93/46/834899346.db2.gz HFSNIUBXFPAVHF-UHFFFAOYSA-N 1 0 397.548 3.990 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000472333713 835021185 /nfs/dbraw/zinc/02/11/85/835021185.db2.gz FCROFPZNOYFHSX-UHFFFAOYSA-N 1 0 376.504 3.821 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1C ZINC000471147211 835031440 /nfs/dbraw/zinc/03/14/40/835031440.db2.gz JOHKBSIIZSJTFT-HXOBKFHXSA-N 1 0 385.552 3.717 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN[C@H](C[NH+]3CCCCC3)c3ccccc3)o2)c1 ZINC000611934836 835073195 /nfs/dbraw/zinc/07/31/95/835073195.db2.gz AWABZBHBFDOHLR-OAQYLSRUSA-N 1 0 387.487 3.925 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000611934829 835073590 /nfs/dbraw/zinc/07/35/90/835073590.db2.gz AMRMRBCKIKIXGU-OAQYLSRUSA-N 1 0 379.504 3.762 20 30 GHEDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330466 844021629 /nfs/dbraw/zinc/02/16/29/844021629.db2.gz JNLBHGXAWFVSIY-WIYYLYMNSA-N 1 0 381.524 3.790 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(-c2nnco2)ccc1C)C(C)C ZINC000151178912 835145432 /nfs/dbraw/zinc/14/54/32/835145432.db2.gz IHVFASBJQPIFDL-LJQANCHMSA-N 1 0 383.496 3.865 20 30 GHEDRO Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1NC(=O)c1cccs1 ZINC000160243090 835177404 /nfs/dbraw/zinc/17/74/04/835177404.db2.gz ABRYDQDPVRIBAA-UHFFFAOYSA-N 1 0 398.532 3.616 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C12CCCCC2 ZINC000610216769 835193482 /nfs/dbraw/zinc/19/34/82/835193482.db2.gz RUJXTNOITFKHDM-CEMLEFRQSA-N 1 0 386.536 3.552 20 30 GHEDRO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](COC)Cc1ccccc1 ZINC000472344860 835235856 /nfs/dbraw/zinc/23/58/56/835235856.db2.gz MFGHBKOLRZPYTN-FQEVSTJZSA-N 1 0 376.460 3.688 20 30 GHEDRO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](COC)Cc1ccccc1 ZINC000472344861 835236134 /nfs/dbraw/zinc/23/61/34/835236134.db2.gz MFGHBKOLRZPYTN-HXUWFJFHSA-N 1 0 376.460 3.688 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000157571296 835249412 /nfs/dbraw/zinc/24/94/12/835249412.db2.gz AXMLOIDEERGSAK-MOPGFXCFSA-N 1 0 391.471 3.513 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000548851626 835270862 /nfs/dbraw/zinc/27/08/62/835270862.db2.gz OPBOGLCIPXLERQ-UHFFFAOYSA-N 1 0 388.519 3.627 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1Cl ZINC000433350690 844036810 /nfs/dbraw/zinc/03/68/10/844036810.db2.gz GNTDFBJEACXICT-QGZVFWFLSA-N 1 0 385.895 3.991 20 30 GHEDRO Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000432853960 844046526 /nfs/dbraw/zinc/04/65/26/844046526.db2.gz QDTJSMQBKOSBTC-KRWDZBQOSA-N 1 0 377.492 3.580 20 30 GHEDRO CN(CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1F ZINC000278564599 835406052 /nfs/dbraw/zinc/40/60/52/835406052.db2.gz CTJPDAUVQGTZKA-UHFFFAOYSA-N 1 0 392.482 3.614 20 30 GHEDRO Cc1c(Cl)cnc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000612085076 835472627 /nfs/dbraw/zinc/47/26/27/835472627.db2.gz QHDHDVFORDUNMA-GJZGRUSLSA-N 1 0 376.932 3.631 20 30 GHEDRO C[C@H]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000433369462 844055649 /nfs/dbraw/zinc/05/56/49/844055649.db2.gz XCLFUXJTWKMVJZ-NZQKXSOJSA-N 1 0 375.516 3.882 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612101904 835476929 /nfs/dbraw/zinc/47/69/29/835476929.db2.gz WMGSBTPNYVZIIC-YTFSRNRJSA-N 1 0 388.515 3.658 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612101863 835476975 /nfs/dbraw/zinc/47/69/75/835476975.db2.gz UKHRFPGPGLTUOJ-PWIZWCRZSA-N 1 0 377.448 3.574 20 30 GHEDRO Cc1cccc(O[C@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278612349 835546217 /nfs/dbraw/zinc/54/62/17/835546217.db2.gz IWBPGMJCFZYPHZ-GOSISDBHSA-N 1 0 375.476 3.724 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000179366413 835564364 /nfs/dbraw/zinc/56/43/64/835564364.db2.gz MUFUAFCPQIMMIX-IERINAHZSA-N 1 0 379.504 3.706 20 30 GHEDRO CCC[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+]1CCOC ZINC000458796352 835585673 /nfs/dbraw/zinc/58/56/73/835585673.db2.gz DPVMCLXECDJWKT-NHCUHLMSSA-N 1 0 386.540 3.564 20 30 GHEDRO N#CCC1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000612177719 835795035 /nfs/dbraw/zinc/79/50/35/835795035.db2.gz WKEPJLQDYQCIKE-BHDDXSALSA-N 1 0 380.536 3.622 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCN3CCCc4ccccc43)CC2)c1 ZINC000535626326 835972536 /nfs/dbraw/zinc/97/25/36/835972536.db2.gz LCPJQFHRDRXPDX-UHFFFAOYSA-N 1 0 388.515 3.662 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000120736714 836184168 /nfs/dbraw/zinc/18/41/68/836184168.db2.gz YBQXORADPQVFFW-DYESRHJHSA-N 1 0 380.488 3.739 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000179881796 836226361 /nfs/dbraw/zinc/22/63/61/836226361.db2.gz SSMDPAKTTZGUTK-PMACEKPBSA-N 1 0 398.894 3.714 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290189652 836231126 /nfs/dbraw/zinc/23/11/26/836231126.db2.gz RUUKSBCLYRPLPC-QFIPXVFZSA-N 1 0 378.472 3.629 20 30 GHEDRO N#Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1C(F)(F)F ZINC000167493608 836233475 /nfs/dbraw/zinc/23/34/75/836233475.db2.gz BKNKDXWCGKMOPB-GOSISDBHSA-N 1 0 375.394 3.756 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000065930228 836253116 /nfs/dbraw/zinc/25/31/16/836253116.db2.gz BQCWJKXPNHKEQO-UHFFFAOYSA-N 1 0 394.906 3.757 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Br)c1 ZINC000065931356 836253990 /nfs/dbraw/zinc/25/39/90/836253990.db2.gz HOMWONKVARQBHS-UHFFFAOYSA-N 1 0 386.293 3.525 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613389521 836271103 /nfs/dbraw/zinc/27/11/03/836271103.db2.gz NICVDIHRFPUZJW-MBOZVWFJSA-N 1 0 397.544 3.631 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000174092158 836379172 /nfs/dbraw/zinc/37/91/72/836379172.db2.gz SROUXZHOSCHDCM-UHFFFAOYSA-N 1 0 376.382 3.960 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471258196 836407676 /nfs/dbraw/zinc/40/76/76/836407676.db2.gz PUCQXQWFKDXESI-HXUWFJFHSA-N 1 0 392.503 3.989 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000179972193 836490587 /nfs/dbraw/zinc/49/05/87/836490587.db2.gz KAXRZLLJMBMKBX-JXFKEZNVSA-N 1 0 393.487 3.730 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000247034238 836624232 /nfs/dbraw/zinc/62/42/32/836624232.db2.gz FRAAHTDFOVKYJR-OEWRPIJISA-N 1 0 376.504 3.514 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510191576 836704001 /nfs/dbraw/zinc/70/40/01/836704001.db2.gz ILBMSNOVMHHVGM-ZJOUEHCJSA-N 1 0 391.515 3.742 20 30 GHEDRO CCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCc2ccccc2C1 ZINC001167164212 836745749 /nfs/dbraw/zinc/74/57/49/836745749.db2.gz QGSFDFUVEPVXBI-OAQYLSRUSA-N 1 0 386.495 3.556 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180027194 836753858 /nfs/dbraw/zinc/75/38/58/836753858.db2.gz ZWQDVRRMIFUGHR-HSZRJFAPSA-N 1 0 385.515 3.885 20 30 GHEDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658926968 836768277 /nfs/dbraw/zinc/76/82/77/836768277.db2.gz KMLKCRAEKRYEPZ-JOYOIKCWSA-N 1 0 386.311 3.928 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000510219919 836807833 /nfs/dbraw/zinc/80/78/33/836807833.db2.gz AVQPOGNIWYPZTP-LJQANCHMSA-N 1 0 381.476 3.691 20 30 GHEDRO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000510933369 844214847 /nfs/dbraw/zinc/21/48/47/844214847.db2.gz ZVGKQFMZAFKCSA-YCRPNKLZSA-N 1 0 383.442 3.943 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 ZINC000027324689 837043494 /nfs/dbraw/zinc/04/34/94/837043494.db2.gz BNQNWMOLYYRRAB-UHFFFAOYSA-O 1 0 396.580 3.857 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(CO)c2)s1 ZINC000027329374 837044243 /nfs/dbraw/zinc/04/42/43/837044243.db2.gz RJDAOFGACLSTMX-UHFFFAOYSA-O 1 0 389.566 3.697 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)cc1)[n+]1ccc(C)cc1 ZINC000027482020 837053200 /nfs/dbraw/zinc/05/32/00/837053200.db2.gz VHJLPJCDXPYWEM-UHFFFAOYSA-O 1 0 377.530 3.703 20 30 GHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1c(C#N)cnc2ccccc21 ZINC000431827393 837264275 /nfs/dbraw/zinc/26/42/75/837264275.db2.gz FAVMEAUDIUBGGH-UHFFFAOYSA-N 1 0 391.563 3.739 20 30 GHEDRO Cc1nsc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000580165777 837310321 /nfs/dbraw/zinc/31/03/21/837310321.db2.gz UJPGEOMWNONVSJ-QGZVFWFLSA-N 1 0 394.422 3.716 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)ccc1OCC(C)C ZINC000180093849 837314851 /nfs/dbraw/zinc/31/48/51/837314851.db2.gz MSUZNLTWJSJCMM-MRXNPFEDSA-N 1 0 381.476 3.891 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3Oc3ccccc3C#N)CC[C@@H]21 ZINC000182306809 844259875 /nfs/dbraw/zinc/25/98/75/844259875.db2.gz WQXXVEILSNFSDZ-QUCCMNQESA-N 1 0 375.472 3.907 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccco1 ZINC000580367252 837340775 /nfs/dbraw/zinc/34/07/75/837340775.db2.gz WCBKNFRBOYUQHP-KBXCAEBGSA-N 1 0 378.432 3.665 20 30 GHEDRO COC(=O)[C@@H]1[C@H](C[NH2+]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1(F)F ZINC000894164941 844260896 /nfs/dbraw/zinc/26/08/96/844260896.db2.gz LKRDJPMRAKZFBH-XFFJFQIUSA-N 1 0 383.279 3.540 20 30 GHEDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000181155398 837858033 /nfs/dbraw/zinc/85/80/33/837858033.db2.gz ULWWSOYLXQRDNH-INIZCTEOSA-N 1 0 385.895 3.617 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655775992 837859132 /nfs/dbraw/zinc/85/91/32/837859132.db2.gz FZEOMKROPQHXHM-INIZCTEOSA-N 1 0 381.314 3.679 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000177565800 837970503 /nfs/dbraw/zinc/97/05/03/837970503.db2.gz ZPPZDDIGHYMYSG-SFTDATJTSA-N 1 0 377.488 3.740 20 30 GHEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415705380 838006874 /nfs/dbraw/zinc/00/68/74/838006874.db2.gz TXZVYDJSBSZJJN-NRFANRHFSA-N 1 0 382.512 3.536 20 30 GHEDRO CON=Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000255127273 838148224 /nfs/dbraw/zinc/14/82/24/838148224.db2.gz NTRBNYADMZZKTC-GOTSBHOMSA-N 1 0 391.515 3.794 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000610297265 838199693 /nfs/dbraw/zinc/19/96/93/838199693.db2.gz XKNAQLIFTDGJKW-OAQYLSRUSA-N 1 0 379.529 3.524 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccnn2C)c1 ZINC000549382625 838233260 /nfs/dbraw/zinc/23/32/60/838233260.db2.gz NRKFRPDBODWSNG-UHFFFAOYSA-N 1 0 385.515 3.585 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000414461062 838357431 /nfs/dbraw/zinc/35/74/31/838357431.db2.gz NRKDPIOKAJSYGZ-UHFFFAOYSA-N 1 0 397.422 3.748 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000187836638 838361991 /nfs/dbraw/zinc/36/19/91/838361991.db2.gz GAPYTKVGORUGJH-IBGZPJMESA-N 1 0 395.906 3.603 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000162307601 838433217 /nfs/dbraw/zinc/43/32/17/838433217.db2.gz QKWFHOPLCYEMKN-MGPUTAFESA-N 1 0 379.508 3.664 20 30 GHEDRO COc1cc(OC)cc(Oc2ccc(C[NH2+]C3CCN(CC#N)CC3)cc2)c1 ZINC000609334779 838480269 /nfs/dbraw/zinc/48/02/69/838480269.db2.gz HAOOOYZTVDVDPE-UHFFFAOYSA-N 1 0 381.476 3.574 20 30 GHEDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000414504468 838608133 /nfs/dbraw/zinc/60/81/33/838608133.db2.gz OJQQJQATEOOONH-MAUKXSAKSA-N 1 0 378.398 3.661 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CCOc3cccc(C#N)c3)CCN2C2CC2)c1 ZINC000549119548 838677577 /nfs/dbraw/zinc/67/75/77/838677577.db2.gz YXCAEPWBQXJZSY-DHIUTWEWSA-N 1 0 377.488 3.513 20 30 GHEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000177698986 838724965 /nfs/dbraw/zinc/72/49/65/838724965.db2.gz USNNYRGQFJOYSL-UHFFFAOYSA-N 1 0 392.322 3.521 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000579449606 838837608 /nfs/dbraw/zinc/83/76/08/838837608.db2.gz KTPMAYYLLGNUCO-OAQYLSRUSA-N 1 0 378.501 3.927 20 30 GHEDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000414950153 839012565 /nfs/dbraw/zinc/01/25/65/839012565.db2.gz HINNJXOIJMYANI-JOCHJYFZSA-N 1 0 393.491 3.696 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000458172534 844398787 /nfs/dbraw/zinc/39/87/87/844398787.db2.gz QTXZBNUDMMNXCG-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000458173934 844402828 /nfs/dbraw/zinc/40/28/28/844402828.db2.gz SAJQJVCEXNQSDB-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccnc(C#N)c1 ZINC000579509547 839146552 /nfs/dbraw/zinc/14/65/52/839146552.db2.gz SIJVEIGGRHRXSD-HSZRJFAPSA-N 1 0 390.531 3.759 20 30 GHEDRO CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000549174891 839155212 /nfs/dbraw/zinc/15/52/12/839155212.db2.gz VNFBGDCKKPQNSD-ZDUSSCGKSA-N 1 0 385.489 3.648 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000415076573 839165366 /nfs/dbraw/zinc/16/53/66/839165366.db2.gz CWLPTOSUOJCCNT-JOCHJYFZSA-N 1 0 394.475 3.870 20 30 GHEDRO N#CCc1cccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000066785792 839167397 /nfs/dbraw/zinc/16/73/97/839167397.db2.gz RCGOEXPXUDTOQJ-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000415083781 839171606 /nfs/dbraw/zinc/17/16/06/839171606.db2.gz NUVYKVXTLZVSSY-KSSFIOAISA-N 1 0 380.448 3.560 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000415085790 839185207 /nfs/dbraw/zinc/18/52/07/839185207.db2.gz QWWIMTQYFKASMD-UHFFFAOYSA-N 1 0 380.448 3.575 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415118741 839231948 /nfs/dbraw/zinc/23/19/48/839231948.db2.gz HLPGCBGGPDRFHG-NRFANRHFSA-N 1 0 392.503 3.955 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)Nc3ccc4ncsc4c3)CC2)cc1 ZINC000511556513 839238684 /nfs/dbraw/zinc/23/86/84/839238684.db2.gz VKIYBOGKNPOLLI-UHFFFAOYSA-N 1 0 377.473 3.518 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)c1 ZINC000415156887 839298358 /nfs/dbraw/zinc/29/83/58/839298358.db2.gz HANPNMFZNPWAFH-ORYQWCPZSA-N 1 0 376.460 3.942 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c1OC ZINC000579605908 839461979 /nfs/dbraw/zinc/46/19/79/839461979.db2.gz CVAKFXWJTZEEDN-SFHVURJKSA-N 1 0 383.467 3.782 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NCc3ccc(N(C)CCC#N)cc3)cc2)CC1 ZINC000122482164 839624871 /nfs/dbraw/zinc/62/48/71/839624871.db2.gz DABYSSOPEUUVMN-UHFFFAOYSA-N 1 0 391.563 3.786 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000549271723 839736984 /nfs/dbraw/zinc/73/69/84/839736984.db2.gz QPNLTYUOCRQLNB-FQEVSTJZSA-N 1 0 383.540 3.518 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549278323 839771601 /nfs/dbraw/zinc/77/16/01/839771601.db2.gz UYVBYPPWMUOLNU-LJQANCHMSA-N 1 0 385.581 3.819 20 30 GHEDRO CCOC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000473448592 844469940 /nfs/dbraw/zinc/46/99/40/844469940.db2.gz GEGXITINCQNCSM-YOEHRIQHSA-N 1 0 377.554 3.866 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000549290739 839861376 /nfs/dbraw/zinc/86/13/76/839861376.db2.gz RFGRQENQWIOQQM-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000549296522 839891030 /nfs/dbraw/zinc/89/10/30/839891030.db2.gz KEBHWHYBISWFSO-UHFFFAOYSA-N 1 0 388.519 3.547 20 30 GHEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(CC#N)cc3)CC2)cs1 ZINC000580624530 839914498 /nfs/dbraw/zinc/91/44/98/839914498.db2.gz VAZMNMHVZXLSCA-KRWDZBQOSA-N 1 0 384.549 3.624 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458837516 844493807 /nfs/dbraw/zinc/49/38/07/844493807.db2.gz LHWNIALPVASZTQ-JOCHJYFZSA-N 1 0 376.504 3.947 20 30 GHEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000278835470 840157814 /nfs/dbraw/zinc/15/78/14/840157814.db2.gz ALCANTWULNCNFY-UXHICEINSA-N 1 0 379.508 3.638 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000513108774 844524806 /nfs/dbraw/zinc/52/48/06/844524806.db2.gz SCEUSVKTIYGZCD-UHFFFAOYSA-N 1 0 378.520 3.997 20 30 GHEDRO [NH3+]CCC[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000416950723 840307607 /nfs/dbraw/zinc/30/76/07/840307607.db2.gz SCJOHACSDVOPFJ-LJQANCHMSA-N 1 0 389.421 3.836 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC1 ZINC000328756428 840403466 /nfs/dbraw/zinc/40/34/66/840403466.db2.gz UFBJBOGCZYJJIB-UHFFFAOYSA-N 1 0 393.944 3.797 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000255901459 840459186 /nfs/dbraw/zinc/45/91/86/840459186.db2.gz HKCRTDYUEXSCEI-IWQZZHSRSA-N 1 0 377.463 3.835 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000119358646 840471520 /nfs/dbraw/zinc/47/15/20/840471520.db2.gz ZWUDEXWYYGUCRH-KNQAVFIVSA-N 1 0 375.472 3.907 20 30 GHEDRO Cc1ccc([C@@H](c2nc(-c3ccc(C#N)c(C)c3)no2)N2CCC[C@@H]([NH3+])C2)cc1 ZINC001211824355 844547958 /nfs/dbraw/zinc/54/79/58/844547958.db2.gz CTZYTSHEKFFLJY-RTWAWAEBSA-N 1 0 387.487 3.738 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000584689883 840563823 /nfs/dbraw/zinc/56/38/23/840563823.db2.gz KPNUPLUUQLWDSO-JXFKEZNVSA-N 1 0 390.405 3.885 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000024055389 844555214 /nfs/dbraw/zinc/55/52/14/844555214.db2.gz WUOMOOWNNDMHJM-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000584706530 840624648 /nfs/dbraw/zinc/62/46/48/840624648.db2.gz BVZKAIHZIJBDOK-JQFCIGGWSA-N 1 0 375.538 3.620 20 30 GHEDRO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511801413 840795832 /nfs/dbraw/zinc/79/58/32/840795832.db2.gz HDUBNDWZSLUEJP-XZOQPEGZSA-N 1 0 378.516 3.754 20 30 GHEDRO CN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276065967 840902459 /nfs/dbraw/zinc/90/24/59/840902459.db2.gz LBGSOIUKDMORLG-IBGZPJMESA-N 1 0 393.491 3.502 20 30 GHEDRO COc1ccc(CC2(c3nc(-c4cc(F)cc(C#N)c4)no3)CC[NH2+]CC2)cc1 ZINC001211511696 841034414 /nfs/dbraw/zinc/03/44/14/841034414.db2.gz PNQFHOKTBHVOFF-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000162471966 841188811 /nfs/dbraw/zinc/18/88/11/841188811.db2.gz UWDOCXOBRIXNPN-ICSRJNTNSA-N 1 0 388.556 3.756 20 30 GHEDRO C[C@H](NC(=O)NCC1(C)CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418004509 841383601 /nfs/dbraw/zinc/38/36/01/841383601.db2.gz ZRHFNRDCMYZXHS-KRWDZBQOSA-N 1 0 376.504 3.975 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000661114125 841408212 /nfs/dbraw/zinc/40/82/12/841408212.db2.gz DPFHBJCQOHVTAL-OCCSQVGLSA-N 1 0 383.418 3.766 20 30 GHEDRO C[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599450474 861200125 /nfs/dbraw/zinc/20/01/25/861200125.db2.gz HGMDZUXHCAPDTN-WOJBJXKFSA-N 1 0 376.928 3.808 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418050548 841441033 /nfs/dbraw/zinc/44/10/33/841441033.db2.gz WLMAHYKXKNGXEP-WFASDCNBSA-N 1 0 375.225 3.501 20 30 GHEDRO C[C@]1(Cc2ccccc2Cl)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599462012 861211238 /nfs/dbraw/zinc/21/12/38/861211238.db2.gz LMCNVDJAZFUCJQ-UYAOXDASSA-N 1 0 376.928 3.808 20 30 GHEDRO CC(C)(C)c1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CC2 ZINC000329269662 861222586 /nfs/dbraw/zinc/22/25/86/861222586.db2.gz FFSYDONPQKPIFZ-FGZHOGPDSA-N 1 0 399.579 3.634 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)ccc1OC ZINC000192562370 841774038 /nfs/dbraw/zinc/77/40/38/841774038.db2.gz ROLUTDUPPYJEDY-MRXNPFEDSA-N 1 0 397.500 3.579 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2)CC1 ZINC000474866340 861242717 /nfs/dbraw/zinc/24/27/17/861242717.db2.gz CWTAUBLFJRCMRL-JOCHJYFZSA-N 1 0 390.531 3.850 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2)CC1 ZINC000474866344 861242117 /nfs/dbraw/zinc/24/21/17/861242117.db2.gz CWTAUBLFJRCMRL-QFIPXVFZSA-N 1 0 390.531 3.850 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(CC3(c4ccc(F)cc4)CC[NH2+]CC3)n2)c1 ZINC001211516363 841851108 /nfs/dbraw/zinc/85/11/08/841851108.db2.gz LITSRYYLNQTOEB-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO CN(C(=O)C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000051133646 841858304 /nfs/dbraw/zinc/85/83/04/841858304.db2.gz KUIQOICEDBEVFA-IFMALSPDSA-N 1 0 383.536 3.771 20 30 GHEDRO COCC[N@H+]([C@@H](C)c1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581647285 841875509 /nfs/dbraw/zinc/87/55/09/841875509.db2.gz YAOJRZHZTKHUTG-AVRDEDQJSA-N 1 0 377.488 3.763 20 30 GHEDRO CC(C)N1CC[C@H](NC(=O)N[C@H]2CC[C@H](CO)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329285751 861246876 /nfs/dbraw/zinc/24/68/76/861246876.db2.gz OKRSQXVATUPQOP-QHERXFFYSA-N 1 0 395.494 3.543 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000489808965 861251383 /nfs/dbraw/zinc/25/13/83/861251383.db2.gz NGJLKVINQZBUQO-OAHLLOKOSA-N 1 0 378.398 3.569 20 30 GHEDRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH+]3CCC(CC#N)CC3)o2)CC1 ZINC000893486964 842036106 /nfs/dbraw/zinc/03/61/06/842036106.db2.gz JGMKCURIRNLQGZ-UHFFFAOYSA-N 1 0 387.524 3.963 20 30 GHEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3cccc(-c4nccs4)c3)CC2)CC1 ZINC000329304887 861266840 /nfs/dbraw/zinc/26/68/40/861266840.db2.gz YBMZXIQXZGDHFS-UHFFFAOYSA-N 1 0 399.564 3.695 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000106747005 842222588 /nfs/dbraw/zinc/22/25/88/842222588.db2.gz OLTTYFILLHNXGK-UHFFFAOYSA-N 1 0 379.435 3.657 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C(F)(F)F)c1F ZINC000175938042 842226350 /nfs/dbraw/zinc/22/63/50/842226350.db2.gz DLIRWLHEGZCUPG-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000585754842 842262009 /nfs/dbraw/zinc/26/20/09/842262009.db2.gz FQKISLCGCYYZCP-IAGOWNOFSA-N 1 0 375.538 3.646 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1OC ZINC000759959654 842296483 /nfs/dbraw/zinc/29/64/83/842296483.db2.gz ZTFNAEDWUFDESX-PDGWLYLFSA-N 1 0 392.499 3.835 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)CC2)nc1 ZINC000585794481 842313817 /nfs/dbraw/zinc/31/38/17/842313817.db2.gz ZTVIUDMYKAVPTB-QFIPXVFZSA-N 1 0 388.515 3.914 20 30 GHEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)c1 ZINC000603868027 861299536 /nfs/dbraw/zinc/29/95/36/861299536.db2.gz JDRIKWLZDHTNIO-NRFANRHFSA-N 1 0 377.488 3.649 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1C ZINC000780372368 842358138 /nfs/dbraw/zinc/35/81/38/842358138.db2.gz OZPFYIHUMBMOEE-OAQYLSRUSA-N 1 0 391.515 3.951 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000152678387 842496314 /nfs/dbraw/zinc/49/63/14/842496314.db2.gz LMWXFYXTTNDQOK-UHFFFAOYSA-N 1 0 390.386 3.989 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000617196114 842590430 /nfs/dbraw/zinc/59/04/30/842590430.db2.gz TVRXSXRSHPJIIB-HDICACEKSA-N 1 0 382.305 3.889 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000066927070 842658932 /nfs/dbraw/zinc/65/89/32/842658932.db2.gz DTCFZTGHZJVCGP-UHFFFAOYSA-N 1 0 376.520 3.512 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000329370283 861338261 /nfs/dbraw/zinc/33/82/61/861338261.db2.gz JTMBWEXHYZHGOJ-YQQAZPJKSA-N 1 0 389.525 3.574 20 30 GHEDRO Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000329373106 861340867 /nfs/dbraw/zinc/34/08/67/861340867.db2.gz KNWYIHLLRFYHCV-SFTDATJTSA-N 1 0 393.535 3.765 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000512179425 842777044 /nfs/dbraw/zinc/77/70/44/842777044.db2.gz CLGDFPMRUNBDAS-HBMCJLEFSA-N 1 0 385.552 3.568 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028347918 861352726 /nfs/dbraw/zinc/35/27/26/861352726.db2.gz FBSZZFYZARHPFP-CABCVRRESA-N 1 0 376.460 3.585 20 30 GHEDRO C=CCC[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccccc1 ZINC000188283323 842873189 /nfs/dbraw/zinc/87/31/89/842873189.db2.gz CIDBEVBAVWLNFH-QFIPXVFZSA-N 1 0 383.580 3.803 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1OCc1ccccc1 ZINC000471857322 842886503 /nfs/dbraw/zinc/88/65/03/842886503.db2.gz NZTCGYBQXXZPBG-QRVBRYPASA-N 1 0 395.528 3.699 20 30 GHEDRO CN1C(=O)C[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000329387240 861361659 /nfs/dbraw/zinc/36/16/59/861361659.db2.gz QVNSMZJAJAWIBN-MBOZVWFJSA-N 1 0 377.916 3.833 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc(SCC#N)c1 ZINC000430771568 842963279 /nfs/dbraw/zinc/96/32/79/842963279.db2.gz ZRPVVUHSNSKHNT-UHFFFAOYSA-N 1 0 381.545 3.939 20 30 GHEDRO Cc1cccc(OCC[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000279406149 843045940 /nfs/dbraw/zinc/04/59/40/843045940.db2.gz MZTLYDMQZXSHMH-UHFFFAOYSA-N 1 0 375.476 3.678 20 30 GHEDRO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000279413793 843052699 /nfs/dbraw/zinc/05/26/99/843052699.db2.gz OEPCOEUOWYWPNL-CEMLEFRQSA-N 1 0 393.535 3.884 20 30 GHEDRO O=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329401725 861376283 /nfs/dbraw/zinc/37/62/83/861376283.db2.gz WGDCKNCJKYUVFK-KRWDZBQOSA-N 1 0 388.512 3.685 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1cccc(C#N)c1 ZINC000603910538 861377995 /nfs/dbraw/zinc/37/79/95/861377995.db2.gz SYQZQVNIGYTZRK-UHFFFAOYSA-N 1 0 397.548 3.535 20 30 GHEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)C2 ZINC000599595906 861381181 /nfs/dbraw/zinc/38/11/81/861381181.db2.gz MZPFGNZZGIDGRQ-SZPZYZBQSA-N 1 0 376.460 3.814 20 30 GHEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)C2 ZINC000599596955 861382233 /nfs/dbraw/zinc/38/22/33/861382233.db2.gz FJUOJELGQBHJGF-SZPZYZBQSA-N 1 0 376.460 3.814 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000430879788 843131837 /nfs/dbraw/zinc/13/18/37/843131837.db2.gz QBUGGJLIWULFTC-JOCHJYFZSA-N 1 0 385.552 3.836 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1Cl ZINC000510661760 843151288 /nfs/dbraw/zinc/15/12/88/843151288.db2.gz APGBQELTWMEYEO-HXUWFJFHSA-N 1 0 383.879 3.522 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCOC2)cc1OCC ZINC000236945713 843218617 /nfs/dbraw/zinc/21/86/17/843218617.db2.gz PBMRAJPQWUINOY-AWEZNQCLSA-N 1 0 384.314 3.929 20 30 GHEDRO C=CC[C@@]1(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CCC[NH2+]1 ZINC000662453185 843269760 /nfs/dbraw/zinc/26/97/60/843269760.db2.gz ZRWOABCIHDJQSS-QHCPKHFHSA-N 1 0 380.488 3.589 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)CC1 ZINC000610652226 843372231 /nfs/dbraw/zinc/37/22/31/843372231.db2.gz JSHJJBSRGYXPIV-UHFFFAOYSA-N 1 0 393.535 3.941 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662518651 843384995 /nfs/dbraw/zinc/38/49/95/843384995.db2.gz HIBCQCVAFDPGDZ-MFKMUULPSA-N 1 0 398.322 3.800 20 30 GHEDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662556321 843401634 /nfs/dbraw/zinc/40/16/34/843401634.db2.gz PDEKOCRDQRUEET-NWDGAFQWSA-N 1 0 386.311 3.976 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cccc(CC#N)c2)CCOCC1)c1ccccc1 ZINC000455926414 861415647 /nfs/dbraw/zinc/41/56/47/861415647.db2.gz YNXKKFCRVJRMHG-GOSISDBHSA-N 1 0 392.503 3.774 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)C[C@H]1C ZINC000329435698 861421542 /nfs/dbraw/zinc/42/15/42/861421542.db2.gz LPFJIXVZOVTJGO-DGCLKSJQSA-N 1 0 380.876 3.671 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000247466360 843539458 /nfs/dbraw/zinc/53/94/58/843539458.db2.gz RMGOWRCPGJURRK-FDDCHVKYSA-N 1 0 391.515 3.940 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000481996484 843641276 /nfs/dbraw/zinc/64/12/76/843641276.db2.gz AZLTZTIDSROMMW-FQEVSTJZSA-N 1 0 394.519 3.560 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC#Cc1ccccc1 ZINC000510896986 843750832 /nfs/dbraw/zinc/75/08/32/843750832.db2.gz WKSOUDLAVCERSY-JOCHJYFZSA-N 1 0 375.516 3.638 20 30 GHEDRO CN(C(=O)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)C1(C#N)CCCCC1 ZINC000599665819 861457405 /nfs/dbraw/zinc/45/74/05/861457405.db2.gz MDRVLVDACZFVDJ-QGZVFWFLSA-N 1 0 398.334 3.691 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000563037022 843814221 /nfs/dbraw/zinc/81/42/21/843814221.db2.gz VGKRXKOWPCUPSG-AWEZNQCLSA-N 1 0 376.913 3.677 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000150961504 843855896 /nfs/dbraw/zinc/85/58/96/843855896.db2.gz QZWGAYOYRKNDFZ-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542091059 843869447 /nfs/dbraw/zinc/86/94/47/843869447.db2.gz SOUZZOLXVLFFKK-FDDCHVKYSA-N 1 0 386.499 3.942 20 30 GHEDRO C#CCOc1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000731110185 861471980 /nfs/dbraw/zinc/47/19/80/861471980.db2.gz KSSFLRXEEBCYFU-UHFFFAOYSA-N 1 0 377.488 3.657 20 30 GHEDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000433313081 843999218 /nfs/dbraw/zinc/99/92/18/843999218.db2.gz UAXUKVOXMOHORT-PMACEKPBSA-N 1 0 381.524 3.932 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)cc1 ZINC000610860902 844709114 /nfs/dbraw/zinc/70/91/14/844709114.db2.gz AMFSFAFNPUUELW-GOTSBHOMSA-N 1 0 378.516 3.980 20 30 GHEDRO CC(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000329473426 861496263 /nfs/dbraw/zinc/49/62/63/861496263.db2.gz ONPGGAQJBLLPRP-MMOPVJDHSA-N 1 0 387.524 3.628 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cn1 ZINC000599695619 861502319 /nfs/dbraw/zinc/50/23/19/861502319.db2.gz DRLNYHICNKPKKP-QVKFZJNVSA-N 1 0 396.466 3.605 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000512635029 844844067 /nfs/dbraw/zinc/84/40/67/844844067.db2.gz WNPIYPDGHWWYEH-UHFFFAOYSA-N 1 0 385.471 3.799 20 30 GHEDRO N#Cc1ccc(-n2c(=O)c3ccccc3nc2SCC[NH+]2CCCCC2)cc1 ZINC000247692035 844881744 /nfs/dbraw/zinc/88/17/44/844881744.db2.gz WTZPOKJISSFEAA-UHFFFAOYSA-N 1 0 390.512 3.835 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433019692 844977695 /nfs/dbraw/zinc/97/76/95/844977695.db2.gz KXHJSEMXWXYWBC-HXUWFJFHSA-N 1 0 378.476 3.976 20 30 GHEDRO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433033520 845029443 /nfs/dbraw/zinc/02/94/43/845029443.db2.gz PXHRCIPCAQLFJN-GOSISDBHSA-N 1 0 390.487 3.775 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433044751 845072544 /nfs/dbraw/zinc/07/25/44/845072544.db2.gz OAJNMZWJGVLAQB-LJQANCHMSA-N 1 0 398.572 3.677 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)c3cccc(C#N)c3C)CC[N@@H+]2C2CC2)c1 ZINC000512707718 845103041 /nfs/dbraw/zinc/10/30/41/845103041.db2.gz JIJIKIPAXGVDTE-YADHBBJMSA-N 1 0 375.472 3.583 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)cc2F)n1 ZINC000329493281 861537542 /nfs/dbraw/zinc/53/75/42/861537542.db2.gz WNVOFAMYHKZGHX-QAPCUYQASA-N 1 0 385.487 3.732 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H](C)c1ccc2ccccc2c1 ZINC000262824618 845531483 /nfs/dbraw/zinc/53/14/83/845531483.db2.gz XYQDRWSWSVMBHE-AEFFLSMTSA-N 1 0 390.535 3.618 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000255443702 845535715 /nfs/dbraw/zinc/53/57/15/845535715.db2.gz ZCNCFOSFZGEUIE-KTKRTIGZSA-N 1 0 396.560 3.916 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000599739237 861581688 /nfs/dbraw/zinc/58/16/88/861581688.db2.gz LFGVOYXWEMNELD-KRWDZBQOSA-N 1 0 380.448 3.575 20 30 GHEDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)[C@@H]2C1 ZINC000538799944 845616891 /nfs/dbraw/zinc/61/68/91/845616891.db2.gz GTXVLUZSIPHQBO-JRFVFWCSSA-N 1 0 392.499 3.906 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000511028696 845714495 /nfs/dbraw/zinc/71/44/95/845714495.db2.gz NEPRVASBHKEJIP-UHFFFAOYSA-N 1 0 377.488 3.959 20 30 GHEDRO N#CC1(NC(=O)CC2CCC(F)(F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000599752591 861632007 /nfs/dbraw/zinc/63/20/07/861632007.db2.gz RUPGDAOOINSBCD-UHFFFAOYSA-N 1 0 375.463 3.877 20 30 GHEDRO CC(C)CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC[NH+](C)CC1 ZINC000511058782 846144241 /nfs/dbraw/zinc/14/42/41/846144241.db2.gz ZXDUXQIQUPAQNW-UHFFFAOYSA-N 1 0 392.503 3.938 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000502535095 846172012 /nfs/dbraw/zinc/17/20/12/846172012.db2.gz VQOOJYIXTSZDJO-UHFFFAOYSA-N 1 0 392.286 3.688 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000502581531 846225873 /nfs/dbraw/zinc/22/58/73/846225873.db2.gz YSAXMRTZXUCIQW-IAOVAPTHSA-N 1 0 383.414 3.601 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F)CCCC2 ZINC000502594940 846233601 /nfs/dbraw/zinc/23/36/01/846233601.db2.gz LQGQQOOKMYJYJJ-HUUCEWRRSA-N 1 0 397.491 3.967 20 30 GHEDRO C[NH+](C)CCOc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccn1 ZINC000478041692 846311620 /nfs/dbraw/zinc/31/16/20/846311620.db2.gz OJPNTWBZMXMHQD-UHFFFAOYSA-N 1 0 386.455 3.813 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(Cc2ccccc2)c1 ZINC000513688782 846312755 /nfs/dbraw/zinc/31/27/55/846312755.db2.gz MPCCLEZJDZJGKU-UHFFFAOYSA-N 1 0 386.499 3.612 20 30 GHEDRO COCCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1OC ZINC000513750769 846351723 /nfs/dbraw/zinc/35/17/23/846351723.db2.gz OPLBXIODSYKQIY-UHFFFAOYSA-N 1 0 396.487 3.635 20 30 GHEDRO Cc1c(NC(=O)N2CCCC23CC[NH+](C)CC3)cnn1-c1ccc(Cl)cc1 ZINC000329565629 861671028 /nfs/dbraw/zinc/67/10/28/861671028.db2.gz OKWGXVFTAQFMNT-UHFFFAOYSA-N 1 0 387.915 3.940 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2cccc(C)c2)cc1 ZINC000280577033 846443443 /nfs/dbraw/zinc/44/34/43/846443443.db2.gz MEYOPJDVWADDCP-HXUWFJFHSA-O 1 0 397.564 3.942 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179650208 861684418 /nfs/dbraw/zinc/68/44/18/861684418.db2.gz CFQHUIJGJJVOMT-INIZCTEOSA-N 1 0 382.891 3.700 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000280729665 846513643 /nfs/dbraw/zinc/51/36/43/846513643.db2.gz CWLYOCUWMCIWGF-NMLACTOBSA-N 1 0 380.492 3.760 20 30 GHEDRO C=CCN1C(=O)N(CCCCC[NH+]2CCCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431372900 846600086 /nfs/dbraw/zinc/60/00/86/846600086.db2.gz HWWYRLNCZAYWLQ-NRFANRHFSA-N 1 0 383.536 3.704 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)[C@@H](C)CC)cc1OC ZINC000237007174 846652421 /nfs/dbraw/zinc/65/24/21/846652421.db2.gz AXFIXIIWONNLQX-SCLBCKFNSA-N 1 0 386.330 3.909 20 30 GHEDRO N#CCOc1ccc(/C=C/C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000109514442 846792704 /nfs/dbraw/zinc/79/27/04/846792704.db2.gz BJFXJVLTTBFZFA-VMPITWQZSA-N 1 0 395.528 3.692 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271945464 846954420 /nfs/dbraw/zinc/95/44/20/846954420.db2.gz ASOVOYAVDPVHBB-UHFFFAOYSA-N 1 0 381.442 3.978 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C1CC1 ZINC000563311419 846963222 /nfs/dbraw/zinc/96/32/22/846963222.db2.gz NXDFZNHISLFONU-KRWDZBQOSA-N 1 0 378.524 3.710 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000501540725 847004047 /nfs/dbraw/zinc/00/40/47/847004047.db2.gz ZXRIEGOUZYXVMO-UONOGXRCSA-N 1 0 398.429 3.741 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000481569092 861749855 /nfs/dbraw/zinc/74/98/55/861749855.db2.gz MLBSBBKVJZGSTR-DYESRHJHSA-N 1 0 375.415 3.814 20 30 GHEDRO CC(C)(CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C[NH+]1CCCC1 ZINC000478407301 847072280 /nfs/dbraw/zinc/07/22/80/847072280.db2.gz OZKCNJPHMLTALO-UHFFFAOYSA-N 1 0 398.551 3.669 20 30 GHEDRO CCC1(CO)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000127596129 847118998 /nfs/dbraw/zinc/11/89/98/847118998.db2.gz QRZQACINZXBTLJ-UHFFFAOYSA-N 1 0 389.565 3.702 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCC(=O)Nc1sccc1C#N ZINC000501779334 847179952 /nfs/dbraw/zinc/17/99/52/847179952.db2.gz WFMXAZIEGQKAMT-SJORKVTESA-N 1 0 382.533 3.543 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000272928316 847210494 /nfs/dbraw/zinc/21/04/94/847210494.db2.gz JSHLBDDPDXYUOD-XDBZFTIUSA-N 1 0 397.544 3.638 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CC[C@H]([NH+]4CCCC4)C3)c(=S)o2)cc1 ZINC000158337496 847308395 /nfs/dbraw/zinc/30/83/95/847308395.db2.gz BQDWQFQDEQADEK-KRWDZBQOSA-N 1 0 386.521 3.565 20 30 GHEDRO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000261829747 847399787 /nfs/dbraw/zinc/39/97/87/847399787.db2.gz VJVKETMCPMHYJQ-GFCCVEGCSA-N 1 0 385.487 3.527 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000511147528 847496643 /nfs/dbraw/zinc/49/66/43/847496643.db2.gz TZDSTWDRFYDJCP-HXUWFJFHSA-N 1 0 385.895 3.651 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000420946467 847568057 /nfs/dbraw/zinc/56/80/57/847568057.db2.gz SMKODBYPIDMHPE-UWJYYQICSA-N 1 0 380.488 3.596 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC000503411615 847675452 /nfs/dbraw/zinc/67/54/52/847675452.db2.gz PNGCNGTVCAMXQH-LEWJYISDSA-N 1 0 389.515 3.607 20 30 GHEDRO CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475010882 861817365 /nfs/dbraw/zinc/81/73/65/861817365.db2.gz VWZXSBHFGVRNEM-GCJKJVERSA-N 1 0 376.504 3.925 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000277729272 847746987 /nfs/dbraw/zinc/74/69/87/847746987.db2.gz UIZCSLGKTULSGI-QGZVFWFLSA-N 1 0 383.521 3.554 20 30 GHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000479818166 847890225 /nfs/dbraw/zinc/89/02/25/847890225.db2.gz MVWRKDJWNYAXEF-INIZCTEOSA-N 1 0 397.548 3.992 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[NH+]2CCCC2)c1 ZINC000503701575 847901517 /nfs/dbraw/zinc/90/15/17/847901517.db2.gz XPNAMKXPYSGQCN-HXUWFJFHSA-N 1 0 383.879 3.787 20 30 GHEDRO C[NH+](C)Cc1ccc(S(=O)(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1 ZINC000430068160 847912302 /nfs/dbraw/zinc/91/23/02/847912302.db2.gz FGIAFTQDGCCYMM-UHFFFAOYSA-N 1 0 377.554 3.525 20 30 GHEDRO CC(C)(CNC(=O)c1cccc(OCc2ccccc2C#N)c1)C[NH+]1CCCC1 ZINC000481604437 861854836 /nfs/dbraw/zinc/85/48/36/861854836.db2.gz LGONEXUQYICLBF-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000582694374 848051771 /nfs/dbraw/zinc/05/17/71/848051771.db2.gz MRYRVJHDGPKFPW-CTNGQTDRSA-N 1 0 397.567 3.826 20 30 GHEDRO O=C(COc1ccc(Cl)c(Cl)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329098396 848144552 /nfs/dbraw/zinc/14/45/52/848144552.db2.gz LWLPGOZKZGSAQZ-UHFFFAOYSA-N 1 0 387.307 3.974 20 30 GHEDRO C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481620802 861873519 /nfs/dbraw/zinc/87/35/19/861873519.db2.gz GEIVMZKAGFBOGF-HNNXBMFYSA-N 1 0 393.422 3.683 20 30 GHEDRO Clc1cccc(-c2nnc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)o2)c1 ZINC000255545604 848297197 /nfs/dbraw/zinc/29/71/97/848297197.db2.gz NZLSKPYNQBRIRA-UHFFFAOYSA-N 1 0 398.850 3.777 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)CC2 ZINC000582754711 848298615 /nfs/dbraw/zinc/29/86/15/848298615.db2.gz XVZASZQYFZGLEH-YOEHRIQHSA-N 1 0 377.271 3.882 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)CC2 ZINC000582754707 848299071 /nfs/dbraw/zinc/29/90/71/848299071.db2.gz XVZASZQYFZGLEH-RHSMWYFYSA-N 1 0 377.271 3.882 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000121925228 848375953 /nfs/dbraw/zinc/37/59/53/848375953.db2.gz UXCVHLLMDQVGRT-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COCc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187769629 848448410 /nfs/dbraw/zinc/44/84/10/848448410.db2.gz YQFMPTKBBHKINE-LAUBAEHRSA-N 1 0 377.431 3.758 20 30 GHEDRO C[C@H](CC#N)N(C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000120333792 848552332 /nfs/dbraw/zinc/55/23/32/848552332.db2.gz OLXNCAKGEPPAGK-QGZVFWFLSA-N 1 0 385.512 3.657 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000180044318 861921689 /nfs/dbraw/zinc/92/16/89/861921689.db2.gz CNRJUJWDBPLATQ-NRFANRHFSA-N 1 0 393.531 3.964 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)[NH2+][C@H](C)c1ccccc1 ZINC000582873128 848609332 /nfs/dbraw/zinc/60/93/32/848609332.db2.gz MSSLJYKJIOZZKI-MJGOQNOKSA-N 1 0 379.570 3.611 20 30 GHEDRO CC#Cc1cncc(N[C@@H](Cc2ccccc2)[C@@H](O)C[C@@H]([NH3+])Cc2ccccc2)c1 ZINC001167638089 848690887 /nfs/dbraw/zinc/69/08/87/848690887.db2.gz INTSAJVIJKTOCA-RNXOBYDBSA-N 1 0 399.538 3.797 20 30 GHEDRO COc1cc(C[C@@H](CO)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc(OC)c1 ZINC000481661367 861985671 /nfs/dbraw/zinc/98/56/71/861985671.db2.gz BSGZMQZUOUPFFR-DVECYGJZSA-N 1 0 394.515 3.784 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(OCc3cscn3)c2)CC1 ZINC000504041633 849852231 /nfs/dbraw/zinc/85/22/31/849852231.db2.gz XEUWMXFETFJCKW-UHFFFAOYSA-N 1 0 386.521 3.884 20 30 GHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000504071907 849879054 /nfs/dbraw/zinc/87/90/54/849879054.db2.gz NYROFZUWZMGZBY-JOCHJYFZSA-N 1 0 385.508 3.873 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2ccccc2CC[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC001269550813 850045779 /nfs/dbraw/zinc/04/57/79/850045779.db2.gz CZXUWYRHCSIPHC-HSZRJFAPSA-N 1 0 399.535 3.522 20 30 GHEDRO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)CC(C)(C)CCC#N ZINC000504540039 850131108 /nfs/dbraw/zinc/13/11/08/850131108.db2.gz GIQZTHHLVIJWHZ-UHFFFAOYSA-N 1 0 386.359 3.779 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2CCCc2ccccc2)cc1 ZINC000486806918 850131217 /nfs/dbraw/zinc/13/12/17/850131217.db2.gz BQGPCGBUPBRKQF-OAQYLSRUSA-N 1 0 382.529 3.819 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC3(CCC3)[C@H]1C1CCOCC1)CCC2 ZINC000514669333 850144561 /nfs/dbraw/zinc/14/45/61/850144561.db2.gz CMINHEZOBFQLSU-HXUWFJFHSA-N 1 0 399.560 3.718 20 30 GHEDRO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424113213 850225320 /nfs/dbraw/zinc/22/53/20/850225320.db2.gz MKZQMRPUOMTAFF-PGRDOPGGSA-N 1 0 379.504 3.642 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000514743428 850225448 /nfs/dbraw/zinc/22/54/48/850225448.db2.gz QTNDSWDSCMHBGT-SFHVURJKSA-N 1 0 383.515 3.973 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000514743427 850225853 /nfs/dbraw/zinc/22/58/53/850225853.db2.gz QTNDSWDSCMHBGT-GOSISDBHSA-N 1 0 383.515 3.973 20 30 GHEDRO COc1ccc([C@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2Cl)c(C)c1 ZINC000424123834 850238396 /nfs/dbraw/zinc/23/83/96/850238396.db2.gz LPHNDOQBIXIADO-UXHICEINSA-N 1 0 385.895 3.884 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000424238221 850305802 /nfs/dbraw/zinc/30/58/02/850305802.db2.gz GQGLGDADFCJUJI-ROUUACIJSA-N 1 0 375.586 3.735 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000424240316 850328263 /nfs/dbraw/zinc/32/82/63/850328263.db2.gz IFFUWQBOXSICGQ-QGZVFWFLSA-N 1 0 377.602 3.981 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000424296427 850339354 /nfs/dbraw/zinc/33/93/54/850339354.db2.gz OMFLAEQLWDCQME-ACIOBRDBSA-N 1 0 399.556 3.923 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000514941387 850513913 /nfs/dbraw/zinc/51/39/13/850513913.db2.gz MICBOBYZPSGGFJ-HSZRJFAPSA-N 1 0 398.522 3.502 20 30 GHEDRO C[C@@H]1CCCC[C@H]1NC(NCCc1nnc2ccccn21)=[NH+]CC1CCCCC1 ZINC000899893583 862152294 /nfs/dbraw/zinc/15/22/94/862152294.db2.gz XFUBSHSIKRZRAE-UYAOXDASSA-N 1 0 396.583 3.966 20 30 GHEDRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000174675533 850679784 /nfs/dbraw/zinc/67/97/84/850679784.db2.gz PAXNSQXMDQWAKA-HSZRJFAPSA-N 1 0 387.483 3.704 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC000909297869 850679993 /nfs/dbraw/zinc/67/99/93/850679993.db2.gz SAYDMTGVBHESRP-GIVPXCGWSA-N 1 0 393.535 3.861 20 30 GHEDRO C=CCC1(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424791832 850700879 /nfs/dbraw/zinc/70/08/79/850700879.db2.gz QVOYNYDOGMUAQG-WOJBJXKFSA-N 1 0 392.490 3.978 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1N1CCCC1=O)C(C)C ZINC000043852126 850720348 /nfs/dbraw/zinc/72/03/48/850720348.db2.gz PFQQHHLZWAFNSS-HXUWFJFHSA-N 1 0 384.524 3.634 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2cccc(F)c2C#N)[NH+]2CCCCC2)cc1 ZINC000487588272 850721312 /nfs/dbraw/zinc/72/13/12/850721312.db2.gz JLAKSIOKYRRVAN-NRFANRHFSA-N 1 0 381.451 3.663 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[N@@H+](C(C)C)CC2)cc1OC ZINC000505265943 850773757 /nfs/dbraw/zinc/77/37/57/850773757.db2.gz NIZLCHVHTYTDQO-UHFFFAOYSA-N 1 0 397.357 3.939 20 30 GHEDRO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000505291161 850792766 /nfs/dbraw/zinc/79/27/66/850792766.db2.gz VHDQNNJZWKNWJR-NRFANRHFSA-N 1 0 379.479 3.756 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000227442493 862169506 /nfs/dbraw/zinc/16/95/06/862169506.db2.gz YROZVWURYAHQHN-KSZLIROESA-N 1 0 395.503 3.826 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)Cc1ccccc1 ZINC000505325527 850813430 /nfs/dbraw/zinc/81/34/30/850813430.db2.gz ISGNZZDAJFWWQE-QFIPXVFZSA-N 1 0 393.506 3.798 20 30 GHEDRO CC(C)(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cc(F)cc(C#N)c1 ZINC000505403441 850900989 /nfs/dbraw/zinc/90/09/89/850900989.db2.gz OEFYIJMVTDWWJT-UHFFFAOYSA-N 1 0 379.479 3.887 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000435899982 850958381 /nfs/dbraw/zinc/95/83/81/850958381.db2.gz YXYOTKWYEBNPHH-FZKQIMNGSA-N 1 0 384.277 3.777 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(C#N)ccc1F)c1cccc(OC)c1 ZINC000174837318 850965717 /nfs/dbraw/zinc/96/57/17/850965717.db2.gz HBYTYCZQMIYZFN-OAQYLSRUSA-N 1 0 398.482 3.588 20 30 GHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000435929964 851002639 /nfs/dbraw/zinc/00/26/39/851002639.db2.gz VBWPKEOAPKVYHY-IBGZPJMESA-N 1 0 376.504 3.904 20 30 GHEDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000515479527 851079726 /nfs/dbraw/zinc/07/97/26/851079726.db2.gz RUBGGYUCNMPLKU-UHFFFAOYSA-N 1 0 382.407 3.660 20 30 GHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000505741271 851087090 /nfs/dbraw/zinc/08/70/90/851087090.db2.gz CGGWKWXXBSHDLI-HSZRJFAPSA-N 1 0 399.535 3.550 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(F)cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000189715265 851201745 /nfs/dbraw/zinc/20/17/45/851201745.db2.gz HIQORGDUABMYJA-LEWJYISDSA-N 1 0 394.450 3.805 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1 ZINC000550064161 851340521 /nfs/dbraw/zinc/34/05/21/851340521.db2.gz XMUCLAXFUATOIG-REWPJTCUSA-N 1 0 385.552 3.669 20 30 GHEDRO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000604521428 862241472 /nfs/dbraw/zinc/24/14/72/862241472.db2.gz JRKSEYOHGQXLSO-ACIOBRDBSA-N 1 0 389.499 3.763 20 30 GHEDRO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000604521429 862242534 /nfs/dbraw/zinc/24/25/34/862242534.db2.gz JRKSEYOHGQXLSO-MDNUFGMLSA-N 1 0 389.499 3.763 20 30 GHEDRO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000505497137 851556994 /nfs/dbraw/zinc/55/69/94/851556994.db2.gz XCXPXTKOWAGVIM-HSZRJFAPSA-N 1 0 399.498 3.619 20 30 GHEDRO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(NC(=O)c3ccsc3)CC2)C1=O ZINC000329741916 862285460 /nfs/dbraw/zinc/28/54/60/862285460.db2.gz OZMNSROTFVLRLX-QGZVFWFLSA-N 1 0 377.554 3.554 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180691965 862286670 /nfs/dbraw/zinc/28/66/70/862286670.db2.gz GCJNZIUVYLSWKG-UHFFFAOYSA-N 1 0 392.425 3.541 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000438001138 851937478 /nfs/dbraw/zinc/93/74/78/851937478.db2.gz IRADHWBMJPDQMB-JBACZVJFSA-N 1 0 377.573 3.654 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000329778219 862315323 /nfs/dbraw/zinc/31/53/23/862315323.db2.gz KZKGASMSXKTLHB-LPHOPBHVSA-N 1 0 393.487 3.571 20 30 GHEDRO COc1cccc([C@H](O)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000111393923 852116744 /nfs/dbraw/zinc/11/67/44/852116744.db2.gz IEVLNFBRCCDMBN-XMMPIXPASA-N 1 0 388.467 3.969 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl ZINC000425961333 852128574 /nfs/dbraw/zinc/12/85/74/852128574.db2.gz BDIQFGOEVBFMJL-UHFFFAOYSA-N 1 0 376.844 3.847 20 30 GHEDRO COc1ccc(CNC(NCCc2cccs2)=[NH+]C(C)(C)C)c(OC)c1 ZINC000912506741 852312269 /nfs/dbraw/zinc/31/22/69/852312269.db2.gz BNNHGRURRWUIQB-UHFFFAOYSA-N 1 0 375.538 3.842 20 30 GHEDRO Cc1cccn2cc(CCNC(NCCc3ccccc3)=[NH+]C(C)(C)C)nc12 ZINC000912506654 852312453 /nfs/dbraw/zinc/31/24/53/852312453.db2.gz SDKGJJVEKUCDCH-UHFFFAOYSA-N 1 0 377.536 3.762 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)c(-c2ccncc2)n1 ZINC000481820307 862346154 /nfs/dbraw/zinc/34/61/54/862346154.db2.gz BZCCWWPGHDQXTR-UHFFFAOYSA-N 1 0 388.450 3.811 20 30 GHEDRO Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)c12 ZINC000329837542 862360213 /nfs/dbraw/zinc/36/02/13/862360213.db2.gz MWUDAKRNJITVMB-BFUOFWGJSA-N 1 0 376.460 3.986 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C(C)C)C2)c1C#N ZINC000438500003 852490012 /nfs/dbraw/zinc/49/00/12/852490012.db2.gz YHDLNKXTLLRQES-SFHVURJKSA-N 1 0 382.508 3.924 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901836 852494156 /nfs/dbraw/zinc/49/41/56/852494156.db2.gz WYDWTNDSOTWPBW-PMACEKPBSA-N 1 0 377.488 3.723 20 30 GHEDRO CC(C)(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000505908591 852541623 /nfs/dbraw/zinc/54/16/23/852541623.db2.gz YBPKKWDESDEMGF-UHFFFAOYSA-N 1 0 379.479 3.709 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)[C@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC001270152917 852601052 /nfs/dbraw/zinc/60/10/52/852601052.db2.gz BVNWSEROVDCEKT-DENIHFKCSA-N 1 0 391.515 3.815 20 30 GHEDRO Cc1ccc(-n2cc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cn2)c(C)c1 ZINC000329857730 862377873 /nfs/dbraw/zinc/37/78/73/862377873.db2.gz ZKOGCRYSUGYJEP-LJQANCHMSA-N 1 0 381.524 3.698 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000438647307 852677638 /nfs/dbraw/zinc/67/76/38/852677638.db2.gz HXOLDVNDCWQQEQ-HXUWFJFHSA-N 1 0 389.499 3.820 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)CC1 ZINC000517997783 852715642 /nfs/dbraw/zinc/71/56/42/852715642.db2.gz PDLBGSXXSAQVFF-UHFFFAOYSA-N 1 0 385.552 3.787 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c(OC)c1 ZINC000490047693 852734690 /nfs/dbraw/zinc/73/46/90/852734690.db2.gz FLNREFJLOPCTGP-VXKWHMMOSA-N 1 0 396.531 3.740 20 30 GHEDRO CC(C)(C)c1nnc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)s1 ZINC000329872277 862387764 /nfs/dbraw/zinc/38/77/64/862387764.db2.gz CZJXZTIKVZSDGY-UHFFFAOYSA-N 1 0 393.601 3.838 20 30 GHEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437110510 852746644 /nfs/dbraw/zinc/74/66/44/852746644.db2.gz MOCBBOOVNGNEAT-PBPGXSGUSA-N 1 0 378.476 3.650 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC1CCCCC1)C1CC1 ZINC000669033511 852785851 /nfs/dbraw/zinc/78/58/51/852785851.db2.gz QRYGPTGLWXTREY-UXHICEINSA-N 1 0 385.556 3.549 20 30 GHEDRO CC(C)(C)[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1O ZINC000329883987 862396688 /nfs/dbraw/zinc/39/66/88/862396688.db2.gz RUIZVAKTVPNPJG-DSBNJHONSA-N 1 0 399.579 3.825 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1C#N ZINC000516880888 853112307 /nfs/dbraw/zinc/11/23/07/853112307.db2.gz CEZBMLQMVGSUTE-YWZLYKJASA-N 1 0 381.451 3.548 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CCC1CCCCC1 ZINC000507619794 853115221 /nfs/dbraw/zinc/11/52/21/853115221.db2.gz ZNCUJWQFFDEPIR-UHFFFAOYSA-N 1 0 388.556 3.854 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC1(O)CCCCCC1 ZINC000426245731 853139675 /nfs/dbraw/zinc/13/96/75/853139675.db2.gz WPBPBWZRORKVFC-UHFFFAOYSA-N 1 0 389.565 3.844 20 30 GHEDRO O=C(Cc1csc(-c2cnccn2)n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329937444 862438481 /nfs/dbraw/zinc/43/84/81/862438481.db2.gz RZQQBHKUAWOLIN-UHFFFAOYSA-N 1 0 385.537 3.896 20 30 GHEDRO N#CC1(NC(=O)c2cccn2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000490673424 853192458 /nfs/dbraw/zinc/19/24/58/853192458.db2.gz RMTVGIBULUPXJJ-UHFFFAOYSA-N 1 0 376.504 3.891 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CC1 ZINC000516986475 853230802 /nfs/dbraw/zinc/23/08/02/853230802.db2.gz MSQIGEHPWBBTLY-UHFFFAOYSA-N 1 0 383.511 3.888 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000894873317 853290831 /nfs/dbraw/zinc/29/08/31/853290831.db2.gz KVSJIQUUEJMBFX-INIZCTEOSA-N 1 0 375.472 3.523 20 30 GHEDRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1-n1cccn1 ZINC000329950896 862451448 /nfs/dbraw/zinc/45/14/48/862451448.db2.gz MOEBLBGPTFMKSC-SFHVURJKSA-N 1 0 381.524 3.798 20 30 GHEDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329956627 862454219 /nfs/dbraw/zinc/45/42/19/862454219.db2.gz PRDWOZOXQBFSOM-OAHLLOKOSA-N 1 0 386.475 3.921 20 30 GHEDRO C=CCOc1ccc(CN2CCCN(C(=O)CC3CCCC3)CC2)cc1OC ZINC000506498161 853351179 /nfs/dbraw/zinc/35/11/79/853351179.db2.gz BOEXNZSCMOQUMO-UHFFFAOYSA-N 1 0 386.536 3.875 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000517130078 853414743 /nfs/dbraw/zinc/41/47/43/853414743.db2.gz MIZTZHNKZLSGMP-ZDUSSCGKSA-N 1 0 389.721 3.762 20 30 GHEDRO CSc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000129414984 853503041 /nfs/dbraw/zinc/50/30/41/853503041.db2.gz FXJHVRHEJQCVFM-UHFFFAOYSA-N 1 0 396.560 3.862 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000586776494 853518328 /nfs/dbraw/zinc/51/83/28/853518328.db2.gz UDPBLDJHTXEWMB-MSNJVRRCSA-N 1 0 376.500 3.760 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCN(c4ccc(F)c(F)c4)C3)CC2)cc1 ZINC000586789259 853549136 /nfs/dbraw/zinc/54/91/36/853549136.db2.gz AGISKMYRLRNCBH-SFHVURJKSA-N 1 0 396.485 3.921 20 30 GHEDRO CN1CC[C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000517264649 853594938 /nfs/dbraw/zinc/59/49/38/853594938.db2.gz NQEFXBWVXCTHEM-IRLDBZIGSA-N 1 0 396.922 3.622 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](CCc2ccccc2F)C2CCCC2)cc1 ZINC000519904738 853612094 /nfs/dbraw/zinc/61/20/94/853612094.db2.gz BAQQQCBEYPSXMW-NRFANRHFSA-N 1 0 382.479 3.924 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000163917191 853627227 /nfs/dbraw/zinc/62/72/27/853627227.db2.gz AIVXUKWMMACRSK-UHFFFAOYSA-N 1 0 398.478 3.617 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCCC[NH+]2CCCCCC2)o1 ZINC000055006313 853634735 /nfs/dbraw/zinc/63/47/35/853634735.db2.gz UNFQZQZXAKARIW-UHFFFAOYSA-N 1 0 381.476 3.726 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000439431282 853646568 /nfs/dbraw/zinc/64/65/68/853646568.db2.gz MGKJYIWDCQALNT-AWEZNQCLSA-N 1 0 383.879 3.720 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)CC1 ZINC000517324236 853658991 /nfs/dbraw/zinc/65/89/91/853658991.db2.gz PZXUEJHCCHQIIO-UHFFFAOYSA-N 1 0 384.446 3.933 20 30 GHEDRO CCC1CCC(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000519974598 853704336 /nfs/dbraw/zinc/70/43/36/853704336.db2.gz JKRRFCQAHNOZHI-UHFFFAOYSA-N 1 0 382.552 3.992 20 30 GHEDRO CC(C)C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(C#N)cc1 ZINC000520173449 853915681 /nfs/dbraw/zinc/91/56/81/853915681.db2.gz KSHRARPXLQVSCV-UHFFFAOYSA-N 1 0 393.487 3.816 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)N2CCOCC2)o1 ZINC000481915031 862512763 /nfs/dbraw/zinc/51/27/63/862512763.db2.gz VIEUIPIMZUCZFF-FCHUYYIVSA-N 1 0 379.504 3.890 20 30 GHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)C3CCC(NC(=O)C4CC4)CC3)C1)CCCC2 ZINC000330030257 862519357 /nfs/dbraw/zinc/51/93/57/862519357.db2.gz RHQADGAZWZTZLJ-ACBHZAAOSA-N 1 0 398.551 3.769 20 30 GHEDRO CC(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000520267263 854018011 /nfs/dbraw/zinc/01/80/11/854018011.db2.gz AYHCAENEKYZALJ-FQEVSTJZSA-N 1 0 379.464 3.543 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000571755937 854021179 /nfs/dbraw/zinc/02/11/79/854021179.db2.gz MQUKLCFKIDMXRE-UHFFFAOYSA-N 1 0 380.414 3.794 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000156697190 854029086 /nfs/dbraw/zinc/02/90/86/854029086.db2.gz AYXNSJOEPQMDPN-VXKWHMMOSA-N 1 0 378.497 3.889 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000588216040 854219783 /nfs/dbraw/zinc/21/97/83/854219783.db2.gz RTPMFQAJFVYFBT-QRQCRPRQSA-N 1 0 384.499 3.929 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000330068288 862549593 /nfs/dbraw/zinc/54/95/93/862549593.db2.gz GFPCNYWUPKGEEC-UZLBHIALSA-N 1 0 381.524 3.865 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)CC2(CC#N)CC2)cc1 ZINC000572163312 854392175 /nfs/dbraw/zinc/39/21/75/854392175.db2.gz CPKXXBFJCBIZOZ-UHFFFAOYSA-N 1 0 397.544 3.528 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000458890485 854469384 /nfs/dbraw/zinc/46/93/84/854469384.db2.gz UFMBWKUJKONGDS-QFIPXVFZSA-N 1 0 394.494 3.848 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1coc(C2CCOCC2)n1 ZINC000328649598 854488924 /nfs/dbraw/zinc/48/89/24/854488924.db2.gz ACPNZBYUAYJLBE-VQIMIIECSA-N 1 0 383.492 3.784 20 30 GHEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1cc2c(cc1Cl)OCO2 ZINC000328659549 854493175 /nfs/dbraw/zinc/49/31/75/854493175.db2.gz SYLKBYPZPKIBCM-UHFFFAOYSA-N 1 0 397.928 3.756 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)CC1 ZINC000328739808 854522583 /nfs/dbraw/zinc/52/25/83/854522583.db2.gz MUVATNBTZLRYNE-INIZCTEOSA-N 1 0 394.585 3.602 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000330102572 862576995 /nfs/dbraw/zinc/57/69/95/862576995.db2.gz ILAVIVJLYGAKLD-NXVRBGIVSA-N 1 0 375.900 3.666 20 30 GHEDRO CC(C)(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc2c(c1)OCO2 ZINC000330101724 862577181 /nfs/dbraw/zinc/57/71/81/862577181.db2.gz FKKKEXUCFWYXDI-UHFFFAOYSA-N 1 0 387.524 3.604 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000328832743 854566761 /nfs/dbraw/zinc/56/67/61/854566761.db2.gz VQXPDBRTELPNCX-CEXWTWQISA-N 1 0 386.540 3.870 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 ZINC000328847137 854574995 /nfs/dbraw/zinc/57/49/95/854574995.db2.gz XXLDYLWADYQEGJ-VXKWHMMOSA-N 1 0 379.504 3.931 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)C2)CC1 ZINC000328857437 854580341 /nfs/dbraw/zinc/58/03/41/854580341.db2.gz KQBJGVHREHFITB-KRWDZBQOSA-N 1 0 397.548 3.837 20 30 GHEDRO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000328955078 854615871 /nfs/dbraw/zinc/61/58/71/854615871.db2.gz IRIBMWNCZUDQMQ-NTFDOXNWSA-N 1 0 388.556 3.980 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)N(C)CCOCc1ccc(C#N)cc1 ZINC000588980442 854626118 /nfs/dbraw/zinc/62/61/18/854626118.db2.gz FCCHTPAVOZKIEN-KRWDZBQOSA-N 1 0 388.471 3.582 20 30 GHEDRO Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)C2CC2)cc1 ZINC000328958114 854632663 /nfs/dbraw/zinc/63/26/63/854632663.db2.gz OJOCLQMIDFGFKI-LEEZEASISA-N 1 0 395.547 3.878 20 30 GHEDRO O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000328992911 854644410 /nfs/dbraw/zinc/64/44/10/854644410.db2.gz IVKCEIDWFFLELW-URVUXULASA-N 1 0 396.535 3.640 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)C[C@@H]1C ZINC000330126845 862597910 /nfs/dbraw/zinc/59/79/10/862597910.db2.gz MOCQADNDYFFJRJ-RYQLBKOJSA-N 1 0 393.503 3.734 20 30 GHEDRO C[NH+](C)CCN(Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000589194631 854741269 /nfs/dbraw/zinc/74/12/69/854741269.db2.gz XVFFETUUBQLZGY-UHFFFAOYSA-N 1 0 395.457 3.790 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)CSc2nc3ccccc3nc2N2CCCC2)CC[N@@H+]1C ZINC000330145564 862612715 /nfs/dbraw/zinc/61/27/15/862612715.db2.gz HKFPUAYHKCKOMF-HZPDHXFCSA-N 1 0 399.564 3.761 20 30 GHEDRO CN(C)C(=O)C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000589503992 854912460 /nfs/dbraw/zinc/91/24/60/854912460.db2.gz KXVOLYVIHZMSMT-SFHVURJKSA-N 1 0 375.394 3.886 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000439641152 862619594 /nfs/dbraw/zinc/61/95/94/862619594.db2.gz MUPFRNRSONQOFX-QHCPKHFHSA-N 1 0 385.467 3.584 20 30 GHEDRO CC1CCC([N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000441453205 854931131 /nfs/dbraw/zinc/93/11/31/854931131.db2.gz QWGVRDZDCABXAX-AOMIVXANSA-N 1 0 383.536 3.993 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)C2)CC1 ZINC000330157691 862623015 /nfs/dbraw/zinc/62/30/15/862623015.db2.gz PNXTULCEXPGNLH-INIZCTEOSA-N 1 0 387.915 3.735 20 30 GHEDRO Cc1coc2ccc(NC(=O)N3CCN(C4CC[NH+](C(C)C)CC4)CC3)cc12 ZINC000330165223 862627256 /nfs/dbraw/zinc/62/72/56/862627256.db2.gz WTJVAOUIMVXBSM-UHFFFAOYSA-N 1 0 384.524 3.777 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000732964430 862627788 /nfs/dbraw/zinc/62/77/88/862627788.db2.gz KGYKEDYZDBBDJT-UHFFFAOYSA-N 1 0 379.504 3.973 20 30 GHEDRO COc1cc(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)ccc1C#N ZINC000589638660 855084065 /nfs/dbraw/zinc/08/40/65/855084065.db2.gz PYNROVWWTAPSCD-NRFANRHFSA-N 1 0 392.503 3.593 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057201614 855283120 /nfs/dbraw/zinc/28/31/20/855283120.db2.gz UPEGZFRFVRBWRB-NRFANRHFSA-N 1 0 381.520 3.566 20 30 GHEDRO Cc1nc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ccc1C#N ZINC000170945067 855321152 /nfs/dbraw/zinc/32/11/52/855321152.db2.gz LEQHEDPPQCZNJQ-UHFFFAOYSA-N 1 0 382.895 3.557 20 30 GHEDRO COc1ccc([C@H](CNc2nc(C#N)c(Cl)s2)[NH+]2CCCCC2)cc1 ZINC000590568416 855493304 /nfs/dbraw/zinc/49/33/04/855493304.db2.gz FSOWOHASQGNWQZ-INIZCTEOSA-N 1 0 376.913 3.738 20 30 GHEDRO CCC[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000107701234 855521255 /nfs/dbraw/zinc/52/12/55/855521255.db2.gz ZSTJEUHGWRITFO-UHFFFAOYSA-N 1 0 385.895 3.619 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2nccc(C#N)n2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000590690435 855550101 /nfs/dbraw/zinc/55/01/01/855550101.db2.gz GBZBADSIRSMDJB-RHSMWYFYSA-N 1 0 375.398 3.862 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)C3CCCCC3)C1)CCCC2 ZINC000330248617 862692723 /nfs/dbraw/zinc/69/27/23/862692723.db2.gz GGBPRRVLZRSXBT-CRAIPNDOSA-N 1 0 386.540 3.769 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCCN3C[C@H](O)COc3ccc(CC#N)cc3)nc2c1 ZINC000590741039 855575393 /nfs/dbraw/zinc/57/53/93/855575393.db2.gz RUZYNHMSYOPBBE-AVRDEDQJSA-N 1 0 390.487 3.514 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000056638907 855613901 /nfs/dbraw/zinc/61/39/01/855613901.db2.gz IIRZJDBMVCEKNZ-UHFFFAOYSA-N 1 0 398.551 3.722 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1Cl ZINC000301278482 855652015 /nfs/dbraw/zinc/65/20/15/855652015.db2.gz XARKZMICLYWHLX-GOSISDBHSA-N 1 0 395.938 3.645 20 30 GHEDRO Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)n2c3ccccc3nc2c1C#N ZINC000301308996 855659541 /nfs/dbraw/zinc/65/95/41/855659541.db2.gz XFQRYJWJDZXVBM-GOSISDBHSA-N 1 0 396.498 3.946 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000590950022 855670988 /nfs/dbraw/zinc/67/09/88/855670988.db2.gz DGNIVJGEUBPYGQ-KRWDZBQOSA-N 1 0 379.464 3.599 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(NC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000301518155 855706909 /nfs/dbraw/zinc/70/69/09/855706909.db2.gz KJDQASHBJPGLFA-OAQYLSRUSA-N 1 0 386.499 3.554 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466604239 862711715 /nfs/dbraw/zinc/71/17/15/862711715.db2.gz MFKZCGLCPIXHOK-QZTJIDSGSA-N 1 0 387.528 3.786 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC4(C3)CC(F)(F)C4)sc2C1 ZINC000591021740 855742793 /nfs/dbraw/zinc/74/27/93/855742793.db2.gz VZXAJIWPFDHJBC-GFCCVEGCSA-N 1 0 379.476 3.804 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(c3nc4c(cc3C#N)CCCC4)CC2)C[C@H](C)O1 ZINC000301907728 855779239 /nfs/dbraw/zinc/77/92/39/855779239.db2.gz ZVVLUGSFUPNQNB-ROUUACIJSA-N 1 0 382.552 3.548 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(c3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000301978465 855792582 /nfs/dbraw/zinc/79/25/82/855792582.db2.gz GRQXOUKKQWBHSZ-GJZGRUSLSA-N 1 0 392.341 3.646 20 30 GHEDRO N#Cc1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000302045022 855806172 /nfs/dbraw/zinc/80/61/72/855806172.db2.gz TZZIMQDZNQDKIT-UHFFFAOYSA-N 1 0 381.442 3.906 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000302285385 855849671 /nfs/dbraw/zinc/84/96/71/855849671.db2.gz LPFXBLPQHHDBTE-GASCZTMLSA-N 1 0 381.442 3.903 20 30 GHEDRO COc1ccc([C@@H](CNc2c(C#N)cnc3ccccc32)[NH+](C)C)cc1OC ZINC000302545337 855877266 /nfs/dbraw/zinc/87/72/66/855877266.db2.gz IOSLCXXCVRTESC-LJQANCHMSA-N 1 0 376.460 3.838 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)c1 ZINC000591277151 855880136 /nfs/dbraw/zinc/88/01/36/855880136.db2.gz GWAJMFFSJZRSCZ-ROUUACIJSA-N 1 0 391.475 3.599 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000591277675 855880270 /nfs/dbraw/zinc/88/02/70/855880270.db2.gz USNNTBAXIGVPQX-GOSISDBHSA-N 1 0 391.475 3.599 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC2(C#N)CCC2)CC1 ZINC000591346467 855896168 /nfs/dbraw/zinc/89/61/68/855896168.db2.gz AHUGDRAKYMVHHT-UHFFFAOYSA-N 1 0 376.888 3.628 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)COc3ccccc3C#N)cc2)C1 ZINC000057585573 855961588 /nfs/dbraw/zinc/96/15/88/855961588.db2.gz CRTXSCYNQCVQDV-KDURUIRLSA-N 1 0 391.515 3.731 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000591471540 856006133 /nfs/dbraw/zinc/00/61/33/856006133.db2.gz HTUQRWSSJFCIJI-QFIPXVFZSA-N 1 0 394.544 3.817 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000022463813 856007115 /nfs/dbraw/zinc/00/71/15/856007115.db2.gz VXKWQPLDYBZTDZ-FQEVSTJZSA-N 1 0 380.488 3.827 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cc1OCCCC#N ZINC000064614349 856039630 /nfs/dbraw/zinc/03/96/30/856039630.db2.gz KLDGLLBXXXYZIB-UHFFFAOYSA-N 1 0 394.450 3.992 20 30 GHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000591482060 856044203 /nfs/dbraw/zinc/04/42/03/856044203.db2.gz JJSZZVYZEGEVDT-LJQANCHMSA-N 1 0 396.466 3.834 20 30 GHEDRO C#CCO[C@@H](C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C ZINC001126993817 856060887 /nfs/dbraw/zinc/06/08/87/856060887.db2.gz AOPFTMCDSKJHSD-KXBFYZLASA-N 1 0 399.362 3.947 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+]2CCCC2)o1 ZINC000171325996 856091094 /nfs/dbraw/zinc/09/10/94/856091094.db2.gz BPDSBEWHGOIDLO-OAQYLSRUSA-N 1 0 392.503 3.971 20 30 GHEDRO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C[C@H]1CC=CCC1 ZINC000485121108 856134663 /nfs/dbraw/zinc/13/46/63/856134663.db2.gz NXPUSWFCQPONPU-NRFANRHFSA-N 1 0 383.536 3.855 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)s1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000591550723 856170776 /nfs/dbraw/zinc/17/07/76/856170776.db2.gz MYLVLKSDZMJQPI-WMZOPIPTSA-N 1 0 382.533 3.987 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)s1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000591550720 856170850 /nfs/dbraw/zinc/17/08/50/856170850.db2.gz MYLVLKSDZMJQPI-AEFFLSMTSA-N 1 0 382.533 3.987 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000591763847 856231793 /nfs/dbraw/zinc/23/17/93/856231793.db2.gz MSIBTNPRZJOOMF-AUUYWEPGSA-N 1 0 377.271 3.882 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000045927715 856265681 /nfs/dbraw/zinc/26/56/81/856265681.db2.gz RXLVCJPLFTVZEI-VGSWGCGISA-N 1 0 395.503 3.533 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+]1CCC(C)CC1 ZINC000109288577 856271137 /nfs/dbraw/zinc/27/11/37/856271137.db2.gz XADCAQCHSKSSQD-KRWDZBQOSA-N 1 0 381.476 3.580 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000171945090 856313107 /nfs/dbraw/zinc/31/31/07/856313107.db2.gz DZPSWINXMWBFOZ-PMACEKPBSA-N 1 0 383.442 3.530 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3sccc3-n3cccc3)CC2)c1 ZINC000593882688 862786010 /nfs/dbraw/zinc/78/60/10/862786010.db2.gz KDTRCIFXDMKEQW-UHFFFAOYSA-N 1 0 390.512 3.805 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000109790454 856370853 /nfs/dbraw/zinc/37/08/53/856370853.db2.gz YAEYQVSKOOYELK-JTHBVZDNSA-N 1 0 376.431 3.816 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc(-c4ccccc4)s3)C2=O)cc1 ZINC000485348864 856376245 /nfs/dbraw/zinc/37/62/45/856376245.db2.gz PWYMZJWVQFQJEZ-FQEVSTJZSA-N 1 0 388.496 3.967 20 30 GHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000485468435 856629727 /nfs/dbraw/zinc/62/97/27/856629727.db2.gz RVTJMXZHIALXRB-QGZVFWFLSA-N 1 0 382.533 3.752 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)CC1 ZINC000592075735 856653043 /nfs/dbraw/zinc/65/30/43/856653043.db2.gz GCTADRKDRRIKBS-QGZVFWFLSA-N 1 0 398.576 3.669 20 30 GHEDRO O=C(N1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1)C(F)(F)C(F)(F)F ZINC001273130084 862820754 /nfs/dbraw/zinc/82/07/54/862820754.db2.gz PINBKARQEZMOKH-LBPRGKRZSA-N 1 0 396.322 3.841 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)c1cccc(C)c1 ZINC000905889418 856670114 /nfs/dbraw/zinc/67/01/14/856670114.db2.gz LDCYCISYZYQVQN-IBGZPJMESA-N 1 0 386.565 3.627 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)c(C#N)c1C ZINC000592139465 856688939 /nfs/dbraw/zinc/68/89/39/856688939.db2.gz FZLWQSCGTLLWSI-HXUWFJFHSA-N 1 0 397.544 3.838 20 30 GHEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000543564956 862825234 /nfs/dbraw/zinc/82/52/34/862825234.db2.gz WEJQQIQORVOKNN-ROUUACIJSA-N 1 0 392.503 3.888 20 30 GHEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000543564954 862825496 /nfs/dbraw/zinc/82/54/96/862825496.db2.gz WEJQQIQORVOKNN-MSOLQXFVSA-N 1 0 392.503 3.888 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC(CC#N)CC2)CC1 ZINC000542902920 856733013 /nfs/dbraw/zinc/73/30/13/856733013.db2.gz VSVQKXYTYVGFBX-UHFFFAOYSA-N 1 0 389.931 3.639 20 30 GHEDRO N#CCN(C(=O)CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000592354849 856799894 /nfs/dbraw/zinc/79/98/94/856799894.db2.gz NLDWYNVDYHIJMY-OAQYLSRUSA-N 1 0 379.529 3.941 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1C#N ZINC000245448217 856867567 /nfs/dbraw/zinc/86/75/67/856867567.db2.gz MSMHLTSGPWMSHR-YLJYHZDGSA-N 1 0 380.492 3.821 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000427910735 856869377 /nfs/dbraw/zinc/86/93/77/856869377.db2.gz XZAJTPFYWIJOCL-HNNXBMFYSA-N 1 0 382.895 3.911 20 30 GHEDRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592524328 856920896 /nfs/dbraw/zinc/92/08/96/856920896.db2.gz XFEPZYOYUUIAQS-HSZRJFAPSA-N 1 0 390.462 3.837 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000111523990 856943327 /nfs/dbraw/zinc/94/33/27/856943327.db2.gz CIHINUGIVFCXJP-GOTSBHOMSA-N 1 0 388.515 3.579 20 30 GHEDRO CC(C)c1noc([C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C2CCOCC2)n1 ZINC000330311196 862857270 /nfs/dbraw/zinc/85/72/70/862857270.db2.gz VONZTHGCQOAJQS-PNBKFKSVSA-N 1 0 378.517 3.879 20 30 GHEDRO CC(C)N(C(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592695273 857028014 /nfs/dbraw/zinc/02/80/14/857028014.db2.gz WVZDJDLQURAOSG-JOCHJYFZSA-N 1 0 390.531 3.749 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000552851695 857044124 /nfs/dbraw/zinc/04/41/24/857044124.db2.gz MUWFTMGNOBMNHI-HXUWFJFHSA-N 1 0 390.531 3.656 20 30 GHEDRO CCc1nccn1[C@@H](C)CC(=O)N[C@H](C#N)c1ccccc1Br ZINC000592764200 857079043 /nfs/dbraw/zinc/07/90/43/857079043.db2.gz WJGFOBFXAQTRPK-SWLSCSKDSA-N 1 0 375.270 3.540 20 30 GHEDRO C[C@H](Sc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000173713573 857101779 /nfs/dbraw/zinc/10/17/79/857101779.db2.gz OQBSQZJSKMUEKD-KRWDZBQOSA-N 1 0 379.529 3.820 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cc(F)cc(Br)c1 ZINC000485834793 857146581 /nfs/dbraw/zinc/14/65/81/857146581.db2.gz XJQZTMIMENDESM-INIZCTEOSA-N 1 0 396.304 3.972 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000174027839 857199940 /nfs/dbraw/zinc/19/99/40/857199940.db2.gz GFBYAUVNIRERAK-UHFFFAOYSA-N 1 0 380.467 3.683 20 30 GHEDRO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000593084986 857319237 /nfs/dbraw/zinc/31/92/37/857319237.db2.gz VDZDMUVKNBVHFW-YADHBBJMSA-N 1 0 394.515 3.598 20 30 GHEDRO C[NH+]1CCC(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174492873 857325925 /nfs/dbraw/zinc/32/59/25/857325925.db2.gz GVSPBYFJANHHHR-UHFFFAOYSA-N 1 0 382.439 3.953 20 30 GHEDRO COC(=O)c1ccc(C(=NO)NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168012116 857340109 /nfs/dbraw/zinc/34/01/09/857340109.db2.gz WKBJRYCPWFTSCK-IRXDYDNUSA-N 1 0 395.503 3.640 20 30 GHEDRO C[NH+]1CCC(CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000486085776 857405731 /nfs/dbraw/zinc/40/57/31/857405731.db2.gz FXDYQXBEHVHGHQ-JOCHJYFZSA-N 1 0 377.488 3.678 20 30 GHEDRO COC(=O)[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000246613979 857418026 /nfs/dbraw/zinc/41/80/26/857418026.db2.gz YHIJGDWYYCPXLE-RLLQIKCJSA-N 1 0 383.517 3.507 20 30 GHEDRO Cc1cccc(C2(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CCCC2)c1 ZINC000330327323 862909967 /nfs/dbraw/zinc/90/99/67/862909967.db2.gz VMLKHXCRUUIRDZ-RTWAWAEBSA-N 1 0 385.552 3.646 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](c2ccccc2Cl)C(C)C)c1 ZINC001168758822 857520484 /nfs/dbraw/zinc/52/04/84/857520484.db2.gz WKQSFBXRURRDML-FQEVSTJZSA-N 1 0 383.879 3.956 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4ccncc4s3)CC2)c1 ZINC000593348860 857548473 /nfs/dbraw/zinc/54/84/73/857548473.db2.gz NMTJCSVGWLIZKA-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO N#CC1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000593430640 857586891 /nfs/dbraw/zinc/58/68/91/857586891.db2.gz QGOFMOICRYPPRC-LEWJYISDSA-N 1 0 380.536 3.766 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000521082385 857594231 /nfs/dbraw/zinc/59/42/31/857594231.db2.gz BCEXLUHNMOCODZ-GOEBONIOSA-N 1 0 379.426 3.836 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593534223 857616070 /nfs/dbraw/zinc/61/60/70/857616070.db2.gz ISIMYYZTPDRRLM-LMMKCTJWSA-N 1 0 389.565 3.514 20 30 GHEDRO C=CCCC[C@@H](C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000907379332 857625314 /nfs/dbraw/zinc/62/53/14/857625314.db2.gz QSFMTRAPVNYPRN-XPWALMASSA-N 1 0 383.580 3.801 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(C#N)cc2C(C)=O)cc1 ZINC001129070795 857637367 /nfs/dbraw/zinc/63/73/67/857637367.db2.gz CBPGIIYFBROTNF-UHFFFAOYSA-N 1 0 379.460 3.734 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@@H+](CCc2ccccc2F)C2CCCC2)cc1 ZINC000521189016 857710433 /nfs/dbraw/zinc/71/04/33/857710433.db2.gz WTVKKVGHQABAIT-UHFFFAOYSA-N 1 0 379.479 3.801 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466003630 857726573 /nfs/dbraw/zinc/72/65/73/857726573.db2.gz HILIVLHOQUUFDQ-UHFFFAOYSA-N 1 0 381.495 3.623 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001168700666 857741951 /nfs/dbraw/zinc/74/19/51/857741951.db2.gz OTPMPHPXLLRMSE-PMACEKPBSA-N 1 0 379.508 3.637 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000521236243 857777309 /nfs/dbraw/zinc/77/73/09/857777309.db2.gz AHRWMBYKKHEQQW-JOCHJYFZSA-N 1 0 380.536 3.889 20 30 GHEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000593913299 857781128 /nfs/dbraw/zinc/78/11/28/857781128.db2.gz JDVCZLDQCOYBSN-UHFFFAOYSA-N 1 0 390.527 3.706 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 ZINC000521348393 857909312 /nfs/dbraw/zinc/90/93/12/857909312.db2.gz LKEMTMBFWKKIEA-DLBZAZTESA-N 1 0 388.870 3.798 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000439003952 858033579 /nfs/dbraw/zinc/03/35/79/858033579.db2.gz OQVPTGWCNXPMQF-ZNQXQWGRSA-N 1 0 395.547 3.705 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000521482352 858053421 /nfs/dbraw/zinc/05/34/21/858053421.db2.gz MVIBFFWMZVYBDW-JPYJTQIMSA-N 1 0 389.499 3.836 20 30 GHEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000439062179 858164729 /nfs/dbraw/zinc/16/47/29/858164729.db2.gz MTSSDHMKUJLBPB-LJQANCHMSA-N 1 0 396.491 3.565 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccccc1COc1ccccc1Cl ZINC000594433067 858175521 /nfs/dbraw/zinc/17/55/21/858175521.db2.gz KNJGANHVWHVPMQ-LJQANCHMSA-N 1 0 385.895 3.946 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CCC3)cc1 ZINC000594434890 858176477 /nfs/dbraw/zinc/17/64/77/858176477.db2.gz VUTOIHYTFVBSLI-DLBZAZTESA-N 1 0 398.532 3.724 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000594434239 858177162 /nfs/dbraw/zinc/17/71/62/858177162.db2.gz LTTUHMOOSQSXFK-CVEARBPZSA-N 1 0 386.496 3.854 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438540 858177358 /nfs/dbraw/zinc/17/73/58/858177358.db2.gz OJHFPVHGMQBCRD-MRXNPFEDSA-N 1 0 382.277 3.514 20 30 GHEDRO Cc1cc2nc(-c3ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc3)[nH]c2cc1C ZINC000594439070 858177490 /nfs/dbraw/zinc/17/74/90/858177490.db2.gz NLTHRCMCLWQLTA-IBGZPJMESA-N 1 0 389.503 3.874 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000594445467 858179185 /nfs/dbraw/zinc/17/91/85/858179185.db2.gz GHPXYCAEWHUVSJ-YOEHRIQHSA-N 1 0 384.307 3.774 20 30 GHEDRO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425791 858185363 /nfs/dbraw/zinc/18/53/63/858185363.db2.gz ADLGTRRHSAZLKR-GFCCVEGCSA-N 1 0 388.693 3.851 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442869464 858187161 /nfs/dbraw/zinc/18/71/61/858187161.db2.gz AZYKWFNMUUAJKL-AOCRQIFASA-N 1 0 377.554 3.698 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000594502409 858194461 /nfs/dbraw/zinc/19/44/61/858194461.db2.gz NYDDHGYXLKWIMA-QHCPKHFHSA-N 1 0 377.532 3.521 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594506922 858196940 /nfs/dbraw/zinc/19/69/40/858196940.db2.gz YVDNNDVPENBCIF-KGLIPLIRSA-N 1 0 385.537 3.655 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000521663653 858197841 /nfs/dbraw/zinc/19/78/41/858197841.db2.gz DIEIDXVUXGYOIQ-QZTJIDSGSA-N 1 0 392.341 3.645 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000594468994 858199835 /nfs/dbraw/zinc/19/98/35/858199835.db2.gz RYJFLXHSJKDNII-LBPRGKRZSA-N 1 0 393.310 3.922 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H](C)C1 ZINC000592765987 858202158 /nfs/dbraw/zinc/20/21/58/858202158.db2.gz HQNHJATVGISWSX-SUMWQHHRSA-N 1 0 398.334 3.732 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000594535364 858214230 /nfs/dbraw/zinc/21/42/30/858214230.db2.gz BSRDHABCKQETQP-INIZCTEOSA-N 1 0 376.460 3.895 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1ccc(C#N)cc1 ZINC000594882601 858293104 /nfs/dbraw/zinc/29/31/04/858293104.db2.gz VWMAPCVLPSOFCP-UHFFFAOYSA-N 1 0 381.549 3.699 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nsc4ccccc34)CC2)cc1 ZINC000594993875 858360504 /nfs/dbraw/zinc/36/05/04/858360504.db2.gz HSCPZHUQBJHADD-UHFFFAOYSA-N 1 0 376.529 3.965 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000595258867 858455989 /nfs/dbraw/zinc/45/59/89/858455989.db2.gz FLYVFJNPWBWVMG-DLBZAZTESA-N 1 0 378.314 3.744 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CCOCC1 ZINC000079306290 858481203 /nfs/dbraw/zinc/48/12/03/858481203.db2.gz VUMBVALWXNJEQU-UHFFFAOYSA-N 1 0 395.528 3.550 20 30 GHEDRO N#CC1(CNC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000521958790 858486000 /nfs/dbraw/zinc/48/60/00/858486000.db2.gz HOOGFICTUYTBJG-UHFFFAOYSA-N 1 0 376.504 3.682 20 30 GHEDRO N#CC1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000595498503 858545874 /nfs/dbraw/zinc/54/58/74/858545874.db2.gz DIDSYYHOJPCACY-SEJPIABJSA-N 1 0 380.536 3.955 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000593029119 858568254 /nfs/dbraw/zinc/56/82/54/858568254.db2.gz TXNOXHQLZRKBJF-QFIPXVFZSA-N 1 0 376.460 3.564 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1ccc(C#N)cc1 ZINC000595602374 858628430 /nfs/dbraw/zinc/62/84/30/858628430.db2.gz UXGGLDZNJLSKKX-JOCHJYFZSA-N 1 0 390.531 3.701 20 30 GHEDRO COc1ccc([C@H](NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)C(C)C)cc1 ZINC000595642738 858635595 /nfs/dbraw/zinc/63/55/95/858635595.db2.gz RUFIDJWLSHOJQC-JOCHJYFZSA-N 1 0 379.504 3.905 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@H](C4CCC4)C3)CC2)c1 ZINC000595654828 858639008 /nfs/dbraw/zinc/63/90/08/858639008.db2.gz YXPXNEIYUBHICP-NRFANRHFSA-N 1 0 380.536 3.744 20 30 GHEDRO C=CCN1C(=O)N(C[C@@H](c2ccc(C)cc2)[NH+](C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000761127996 858649429 /nfs/dbraw/zinc/64/94/29/858649429.db2.gz XEPVREMWTCLJBB-VXKWHMMOSA-N 1 0 391.515 3.659 20 30 GHEDRO CC(C)c1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595764753 858663110 /nfs/dbraw/zinc/66/31/10/858663110.db2.gz MZGKGYMLZGSOKV-UHFFFAOYSA-N 1 0 377.488 3.916 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000595766148 858664064 /nfs/dbraw/zinc/66/40/64/858664064.db2.gz SOSWDHAXAGERRI-FQEVSTJZSA-N 1 0 382.483 3.881 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C#N)cc3OC(F)F)CCOCC2)c1 ZINC000595765685 858664171 /nfs/dbraw/zinc/66/41/71/858664171.db2.gz UIDMJEIICFXSMF-UHFFFAOYSA-N 1 0 383.398 3.827 20 30 GHEDRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595758043 858677742 /nfs/dbraw/zinc/67/77/42/858677742.db2.gz AIQWDZMILCUOEY-UHFFFAOYSA-N 1 0 381.501 3.504 20 30 GHEDRO C[C@@]1(C#N)CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595829496 858701500 /nfs/dbraw/zinc/70/15/00/858701500.db2.gz IFOBLRUHSNPILW-UNMCSNQZSA-N 1 0 380.536 3.624 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000595831337 858702436 /nfs/dbraw/zinc/70/24/36/858702436.db2.gz NZJQTQWLOBJHTE-LEWJYISDSA-N 1 0 378.472 3.614 20 30 GHEDRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595895661 858709450 /nfs/dbraw/zinc/70/94/50/858709450.db2.gz RTWMZCZGFIFTOC-GOSISDBHSA-N 1 0 375.394 3.732 20 30 GHEDRO COc1c(C)ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593141765 858747422 /nfs/dbraw/zinc/74/74/22/858747422.db2.gz WVZGDTGNWQJBLA-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO Cc1nc2ccc(NC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2o1 ZINC000593141891 858747724 /nfs/dbraw/zinc/74/77/24/858747724.db2.gz HFHJLJLAIPNNQG-UHFFFAOYSA-N 1 0 389.459 3.794 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(NCC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000596314957 858854465 /nfs/dbraw/zinc/85/44/65/858854465.db2.gz VEPGRXGCTHAXEE-UHFFFAOYSA-N 1 0 392.547 3.955 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000184345247 858916688 /nfs/dbraw/zinc/91/66/88/858916688.db2.gz QTOIAANIPSZPMJ-ZUOKHONESA-N 1 0 388.512 3.963 20 30 GHEDRO C[NH+](C)CCC[C@H]1CN(c2c(Br)cc(Cl)cc2C#N)CCO1 ZINC000596565975 858936219 /nfs/dbraw/zinc/93/62/19/858936219.db2.gz JPTJQNOESWTNPU-AWEZNQCLSA-N 1 0 386.721 3.521 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1sccc1Br ZINC000068310104 858976497 /nfs/dbraw/zinc/97/64/97/858976497.db2.gz RAZXCHKDRNHMIM-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000509293296 858978311 /nfs/dbraw/zinc/97/83/11/858978311.db2.gz HQCUSJTUULOLIR-QFIPXVFZSA-N 1 0 398.551 3.622 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1)CC(C)C ZINC000596672747 858986015 /nfs/dbraw/zinc/98/60/15/858986015.db2.gz PTWXBFRRYMJTCM-UHFFFAOYSA-N 1 0 384.568 3.890 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000596682441 859003643 /nfs/dbraw/zinc/00/36/43/859003643.db2.gz ASSIAISQMVFVHD-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160602380 859044868 /nfs/dbraw/zinc/04/48/68/859044868.db2.gz OBDTYORWABYEHH-OAQYLSRUSA-N 1 0 382.483 3.944 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3nc(CC)cs3)CC2)CC1 ZINC000654431391 859066387 /nfs/dbraw/zinc/06/63/87/859066387.db2.gz JCLYZYFDBNJCMX-UHFFFAOYSA-N 1 0 390.597 3.710 20 30 GHEDRO N#Cc1csc(C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000923176415 859105419 /nfs/dbraw/zinc/10/54/19/859105419.db2.gz NXBWHRPBYLDBJA-LJQANCHMSA-N 1 0 395.528 3.563 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000195214806 881387741 /nfs/dbraw/zinc/38/77/41/881387741.db2.gz HIFRNFLBXSDZPX-UHFFFAOYSA-N 1 0 377.488 3.611 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000483109373 859152383 /nfs/dbraw/zinc/15/23/83/859152383.db2.gz KBQYREWRJHOUKD-IBGZPJMESA-N 1 0 395.478 3.961 20 30 GHEDRO Cc1ccoc1C[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000429372303 859177013 /nfs/dbraw/zinc/17/70/13/859177013.db2.gz LTQDWVXEPCHOGY-UHFFFAOYSA-N 1 0 394.475 3.980 20 30 GHEDRO CC1(c2cccc(Cl)c2)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000483241060 859236202 /nfs/dbraw/zinc/23/62/02/859236202.db2.gz VLDQOYUUWSNLDI-UHFFFAOYSA-N 1 0 381.907 3.882 20 30 GHEDRO OC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000483249574 859241162 /nfs/dbraw/zinc/24/11/62/859241162.db2.gz JMEFJWDFESXLKP-LLVKDONJSA-N 1 0 397.718 3.899 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597034059 859248756 /nfs/dbraw/zinc/24/87/56/859248756.db2.gz XAWLKKVHICZJNL-UHFFFAOYSA-N 1 0 387.455 3.946 20 30 GHEDRO N#Cc1cccc(OCC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000483268440 859259962 /nfs/dbraw/zinc/25/99/62/859259962.db2.gz FJRMGDKPTRDNNB-QGZVFWFLSA-N 1 0 384.785 3.932 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000429433384 859358410 /nfs/dbraw/zinc/35/84/10/859358410.db2.gz YBWSYHKHNVSRHC-ZFWWWQNUSA-N 1 0 391.284 3.962 20 30 GHEDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000597235967 859369960 /nfs/dbraw/zinc/36/99/60/859369960.db2.gz LJVKFLJWSVAWNN-DENIHFKCSA-N 1 0 380.492 3.675 20 30 GHEDRO COc1ccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)cc1OCCCC#N ZINC000597257345 859382828 /nfs/dbraw/zinc/38/28/28/859382828.db2.gz DWBCFBSECSHLFU-UHFFFAOYSA-N 1 0 382.508 3.696 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000429445926 859385862 /nfs/dbraw/zinc/38/58/62/859385862.db2.gz GCBDKFCIZIHDRA-ZIAGYGMSSA-N 1 0 391.284 3.962 20 30 GHEDRO Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593318089 859400335 /nfs/dbraw/zinc/40/03/35/859400335.db2.gz VBDJXUBQJCALQC-QHCPKHFHSA-N 1 0 388.515 3.818 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000544463099 859416833 /nfs/dbraw/zinc/41/68/33/859416833.db2.gz OGCWRBUISFLUJW-HNNXBMFYSA-N 1 0 385.533 3.978 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)NCC1CC[NH+](Cc3cccs3)CC1)C2 ZINC000593333250 859443200 /nfs/dbraw/zinc/44/32/00/859443200.db2.gz OBMSFTCORPVXGY-UHFFFAOYSA-N 1 0 380.517 3.557 20 30 GHEDRO Cc1cc(C)cc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593351737 859531311 /nfs/dbraw/zinc/53/13/11/859531311.db2.gz SEJDDGGBLNUXPW-UHFFFAOYSA-N 1 0 375.516 3.889 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)CC2)c1 ZINC000593348799 859538645 /nfs/dbraw/zinc/53/86/45/859538645.db2.gz MJUHQFFVQLRAGI-IRXDYDNUSA-N 1 0 379.426 3.617 20 30 GHEDRO Cc1ccc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC000593354631 859556113 /nfs/dbraw/zinc/55/61/13/859556113.db2.gz JGKBRGDLGYUZHL-UHFFFAOYSA-N 1 0 375.516 3.889 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3CCc4ccccc4C3)CC2)c1 ZINC000593354588 859556120 /nfs/dbraw/zinc/55/61/20/859556120.db2.gz TXZVZSSJRIRLOY-IBGZPJMESA-N 1 0 387.527 3.834 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCOc3ccccc3Cl)CC2)c1 ZINC000593354629 859556202 /nfs/dbraw/zinc/55/62/02/859556202.db2.gz JCIKWDVGCIEZPT-UHFFFAOYSA-N 1 0 397.906 3.761 20 30 GHEDRO C[C@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)Cc1cccs1 ZINC000593359391 859562921 /nfs/dbraw/zinc/56/29/21/859562921.db2.gz OFDALTUZXCLSCR-KRWDZBQOSA-N 1 0 396.560 3.762 20 30 GHEDRO Cc1sc(-c2ccco2)nc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000060576024 859571377 /nfs/dbraw/zinc/57/13/77/859571377.db2.gz MAKPIGFQQLDROZ-UHFFFAOYSA-N 1 0 394.500 3.787 20 30 GHEDRO CC[C@H](O)[C@@H]1CCCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000114458719 859613695 /nfs/dbraw/zinc/61/36/95/859613695.db2.gz VMYSZUZJNAMOIX-SZMVWBNQSA-N 1 0 375.538 3.502 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(CN3CCCC3=O)cc2)c(O)c1 ZINC000126984621 859636770 /nfs/dbraw/zinc/63/67/70/859636770.db2.gz KDEISYHOOOZDRQ-LFVJCYFKSA-N 1 0 379.504 3.980 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001183044828 912212366 /nfs/dbraw/zinc/21/23/66/912212366.db2.gz NQCMSCMGMBJHLO-KRWDZBQOSA-N 1 0 383.319 3.763 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474229129 859648354 /nfs/dbraw/zinc/64/83/54/859648354.db2.gz QEBUFLKOZXDLGE-UHFFFAOYSA-N 1 0 380.488 3.753 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593374066 859660553 /nfs/dbraw/zinc/66/05/53/859660553.db2.gz MHXADICTEKPVEN-QZTJIDSGSA-N 1 0 388.515 3.740 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC000611233234 859662308 /nfs/dbraw/zinc/66/23/08/859662308.db2.gz QIPOYZBWHUAFHI-DLBZAZTESA-N 1 0 380.467 3.502 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(F)c1 ZINC000466476491 859674544 /nfs/dbraw/zinc/67/45/44/859674544.db2.gz YSZQTLIXGGPJRP-INIZCTEOSA-N 1 0 391.368 3.607 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H]([NH+]3CCCC3)C2)c1=S ZINC000764963526 859710498 /nfs/dbraw/zinc/71/04/98/859710498.db2.gz PENDOWNTEWMXBZ-IBGZPJMESA-N 1 0 383.565 3.703 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1Cl ZINC000611350221 859713659 /nfs/dbraw/zinc/71/36/59/859713659.db2.gz FNXSCUFNGFUVFC-JKSUJKDBSA-N 1 0 375.900 3.679 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN(C)C2CCC(OC)CC2)c1=S ZINC000764988207 859718968 /nfs/dbraw/zinc/71/89/68/859718968.db2.gz FUHWYKLWQJETOK-UHFFFAOYSA-N 1 0 387.553 3.899 20 30 GHEDRO Cc1cccc2c1ncc(C#N)c2N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000611370369 859725179 /nfs/dbraw/zinc/72/51/79/859725179.db2.gz ALGXJLPQDPOHAL-UHFFFAOYSA-N 1 0 392.425 3.506 20 30 GHEDRO COc1ccc(C2([NH2+]CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)cc1 ZINC000611394792 859735823 /nfs/dbraw/zinc/73/58/23/859735823.db2.gz FGMJJLZBXXYJDI-UHFFFAOYSA-N 1 0 383.879 3.874 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+][C@H]3CCCc4cc(C#N)ccc43)C2)cc(OC)c1 ZINC000611393857 859736036 /nfs/dbraw/zinc/73/60/36/859736036.db2.gz PHYITHHUDRXLCO-RDPSFJRHSA-N 1 0 391.515 3.817 20 30 GHEDRO COC(=O)C(C)(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000611405269 859739723 /nfs/dbraw/zinc/73/97/23/859739723.db2.gz BNHPOVPLYKWPDH-IBGZPJMESA-N 1 0 399.878 3.680 20 30 GHEDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000611500964 859786526 /nfs/dbraw/zinc/78/65/26/859786526.db2.gz ABTHRBVJNBMUQY-HNNXBMFYSA-N 1 0 379.298 3.732 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccccc3F)CC2)c1 ZINC000593413362 859788438 /nfs/dbraw/zinc/78/84/38/859788438.db2.gz RJWSNVAYNJOLRI-RBBKRZOGSA-N 1 0 392.478 3.517 20 30 GHEDRO CC(C)N(C(=O)c1cc(F)c(C#N)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000597806136 859836608 /nfs/dbraw/zinc/83/66/08/859836608.db2.gz KAIMCENRGLMNOR-GOSISDBHSA-N 1 0 383.442 3.962 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466526976 859868311 /nfs/dbraw/zinc/86/83/11/859868311.db2.gz LEEBMWFIOOGHTH-VQIMIIECSA-N 1 0 378.476 3.741 20 30 GHEDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCC(CC#N)CC2)c2ccccc2)cc1 ZINC000543484645 859902314 /nfs/dbraw/zinc/90/23/14/859902314.db2.gz CASYIIZBMVSFCD-JOCHJYFZSA-N 1 0 397.544 3.640 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cc(Cl)ccc2C#N)CC1 ZINC000474401599 859988132 /nfs/dbraw/zinc/98/81/32/859988132.db2.gz DMCDKFLFHKAAOK-UHFFFAOYSA-N 1 0 397.906 3.680 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)CSCc3ccc(C#N)cc3)CC2)CC1 ZINC000161496477 859996687 /nfs/dbraw/zinc/99/66/87/859996687.db2.gz HJXSLUDELIICCM-UHFFFAOYSA-N 1 0 385.577 3.951 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484467283 860010104 /nfs/dbraw/zinc/01/01/04/860010104.db2.gz PAFHGVNIAFDCMV-DOMZBBRYSA-N 1 0 382.386 3.547 20 30 GHEDRO C=CCn1c(SC[C@@H]2CC[N@H+](C)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000484492766 860032145 /nfs/dbraw/zinc/03/21/45/860032145.db2.gz UAQPNLGJMILPKO-UONOGXRCSA-N 1 0 389.590 3.813 20 30 GHEDRO C[C@@H](CCC#N)CNc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000602492088 860057023 /nfs/dbraw/zinc/05/70/23/860057023.db2.gz MADOQOANKRQSMN-FQEVSTJZSA-N 1 0 377.536 3.798 20 30 GHEDRO C[N@H+](Cc1cnc2ccc(C#N)cn12)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000092474993 860057338 /nfs/dbraw/zinc/05/73/38/860057338.db2.gz HRNFLAIQMUTNFW-JWTNVVGKSA-N 1 0 395.507 3.568 20 30 GHEDRO Cc1ccccc1CN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510978 860069277 /nfs/dbraw/zinc/06/92/77/860069277.db2.gz RCIKNYORMUDKCG-UHFFFAOYSA-N 1 0 376.504 3.673 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000602517066 860070447 /nfs/dbraw/zinc/07/04/47/860070447.db2.gz AWACOVWKQALVCA-LJQANCHMSA-N 1 0 395.503 3.728 20 30 GHEDRO CC(C)(C)OC1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593511467 860072848 /nfs/dbraw/zinc/07/28/48/860072848.db2.gz AIKYCYSLLALQNT-UHFFFAOYSA-N 1 0 398.551 3.512 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000602565284 860116486 /nfs/dbraw/zinc/11/64/86/860116486.db2.gz DXLCTKVSRKVWNX-CABCVRRESA-N 1 0 381.314 3.905 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(-c3ccccc3OCC3CCCC3)no1)C2 ZINC000904105454 860129018 /nfs/dbraw/zinc/12/90/18/860129018.db2.gz IDPFPGGOUVDQRM-JQHMZKTJSA-N 1 0 378.476 3.912 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000598195979 860141135 /nfs/dbraw/zinc/14/11/35/860141135.db2.gz YGXRNKDLRBSHBV-DHIUTWEWSA-N 1 0 375.516 3.849 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3ncc(Br)cc3C#N)CC2)c1 ZINC000593518327 860161125 /nfs/dbraw/zinc/16/11/25/860161125.db2.gz ZDMBJMPCRXQAGV-UHFFFAOYSA-N 1 0 396.292 3.664 20 30 GHEDRO CCc1cccc2c(C3CC[NH+](CC(=O)N(CCC#N)CCC#N)CC3)c[nH]c21 ZINC000097267716 860218362 /nfs/dbraw/zinc/21/83/62/860218362.db2.gz OBDJZFKEKKWZDM-UHFFFAOYSA-N 1 0 391.519 3.566 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)N1CCN(CCC#N)CC1)C1CCCCC1 ZINC000602769913 860275987 /nfs/dbraw/zinc/27/59/87/860275987.db2.gz XMSNSVQMRQNKIB-UHFFFAOYSA-N 1 0 383.540 3.514 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602888109 860339033 /nfs/dbraw/zinc/33/90/33/860339033.db2.gz PDKBRTINJKGXJC-QUCCMNQESA-N 1 0 399.498 3.754 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000474564971 860354111 /nfs/dbraw/zinc/35/41/11/860354111.db2.gz ZZIMMWXAIAEYRO-FQEVSTJZSA-N 1 0 398.551 3.622 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000765662924 860390651 /nfs/dbraw/zinc/39/06/51/860390651.db2.gz NCXUTMVBWMDEGM-OAQYLSRUSA-N 1 0 396.535 3.639 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000765662923 860390769 /nfs/dbraw/zinc/39/07/69/860390769.db2.gz NCXUTMVBWMDEGM-NRFANRHFSA-N 1 0 396.535 3.639 20 30 GHEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000155195094 860434226 /nfs/dbraw/zinc/43/42/26/860434226.db2.gz XBSHXPFGIGFYKN-MOPGFXCFSA-N 1 0 399.498 3.869 20 30 GHEDRO CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[C@H]1CCC[C@@H]1C#N ZINC000603032336 860440120 /nfs/dbraw/zinc/44/01/20/860440120.db2.gz HLIDNYSCDLWMQF-KDOFPFPSSA-N 1 0 390.915 3.969 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000509003101 860497555 /nfs/dbraw/zinc/49/75/55/860497555.db2.gz UYNFDHUJAKUNHV-HKUYNNGSSA-N 1 0 383.565 3.570 20 30 GHEDRO C[C@@H]1CCCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000904539729 860500598 /nfs/dbraw/zinc/50/05/98/860500598.db2.gz PWCISIFRCMJCBS-KBRIMQKVSA-N 1 0 382.430 3.711 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000155653557 860567982 /nfs/dbraw/zinc/56/79/82/860567982.db2.gz VWGJQYNHRWRWBY-QGZVFWFLSA-N 1 0 394.544 3.528 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)CC1 ZINC001170380910 881555478 /nfs/dbraw/zinc/55/54/78/881555478.db2.gz BBVBPBYFOKHIFK-ATILIHEHSA-N 1 0 399.538 3.996 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)CC1 ZINC001170381718 881557900 /nfs/dbraw/zinc/55/79/00/881557900.db2.gz WVLVWIIQAFFXPQ-YUXWQYAESA-N 1 0 389.499 3.688 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)NCC#Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000061076132 860669702 /nfs/dbraw/zinc/66/97/02/860669702.db2.gz ZHFRDIRJOIWMHO-HSZRJFAPSA-N 1 0 391.515 3.573 20 30 GHEDRO Cc1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)ncc1Br ZINC000598979317 860712181 /nfs/dbraw/zinc/71/21/81/860712181.db2.gz BQFNBDFKCNQJKI-UHFFFAOYSA-N 1 0 399.336 3.778 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)CCOCC2)cc1 ZINC000599005761 860723780 /nfs/dbraw/zinc/72/37/80/860723780.db2.gz ROYNYNYZFHZVEH-JOCHJYFZSA-N 1 0 378.472 3.521 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603370 881578071 /nfs/dbraw/zinc/57/80/71/881578071.db2.gz IOXNUJMFSWXWAP-QHCPKHFHSA-N 1 0 381.495 3.566 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603262 881578875 /nfs/dbraw/zinc/57/88/75/881578875.db2.gz FXMYAUYSBMWHOQ-OAQYLSRUSA-N 1 0 382.483 3.586 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599088335 860784469 /nfs/dbraw/zinc/78/44/69/860784469.db2.gz QFHLJOAOMJOHNO-BHIFYINESA-N 1 0 393.918 3.688 20 30 GHEDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692359 860852733 /nfs/dbraw/zinc/85/27/33/860852733.db2.gz DGLGLOLDAVLLCW-UHFFFAOYSA-N 1 0 394.475 3.619 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000156620470 860875502 /nfs/dbraw/zinc/87/55/02/860875502.db2.gz XTALVZPCEIZNBC-SFHVURJKSA-N 1 0 375.472 3.873 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NCc3ncc(Br)s3)CC2)c1 ZINC000593693345 860905211 /nfs/dbraw/zinc/90/52/11/860905211.db2.gz VMIZFMDCLIFIHL-UHFFFAOYSA-N 1 0 391.338 3.531 20 30 GHEDRO Fc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1OCC(F)(F)F ZINC000623361881 860922526 /nfs/dbraw/zinc/92/25/26/860922526.db2.gz VBCNQNBQNDXQLY-LLVKDONJSA-N 1 0 388.327 3.741 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC(=O)NC2CCCCC2)cc1OC ZINC000623370590 860934090 /nfs/dbraw/zinc/93/40/90/860934090.db2.gz RCPWLXHYTCWUFW-UHFFFAOYSA-N 1 0 380.916 3.842 20 30 GHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cccc21 ZINC000557036963 881597364 /nfs/dbraw/zinc/59/73/64/881597364.db2.gz DRDXQXZLUAGJIO-LJQANCHMSA-N 1 0 379.435 3.753 20 30 GHEDRO CC(C)(CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[NH+]1CCCCC1 ZINC000603650437 860974807 /nfs/dbraw/zinc/97/48/07/860974807.db2.gz ZCPBDBYRQTUEPQ-UHFFFAOYSA-N 1 0 397.548 3.992 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000170914994 860980072 /nfs/dbraw/zinc/98/00/72/860980072.db2.gz WCGGMOFGTQYUND-UHFFFAOYSA-N 1 0 383.492 3.630 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@H](O)COc1ccccc1C#N ZINC000599282199 861008712 /nfs/dbraw/zinc/00/87/12/861008712.db2.gz OYPZYWZSSWAUHH-FQEVSTJZSA-N 1 0 391.471 3.518 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000599268169 861017861 /nfs/dbraw/zinc/01/78/61/861017861.db2.gz CISSWFPFEOCOLW-ROUUACIJSA-N 1 0 393.325 3.657 20 30 GHEDRO C[C@H](C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000329130171 861051660 /nfs/dbraw/zinc/05/16/60/861051660.db2.gz WSSBKJPHFVQPDT-AAIMPIBUSA-N 1 0 386.536 3.624 20 30 GHEDRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599316944 861056450 /nfs/dbraw/zinc/05/64/50/861056450.db2.gz RTJHQOCYLPAOTE-DZGCQCFKSA-N 1 0 383.319 3.984 20 30 GHEDRO Cc1nc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000603701226 861061097 /nfs/dbraw/zinc/06/10/97/861061097.db2.gz RQXCQWJFWOZFHH-CALCHBBNSA-N 1 0 376.504 3.670 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000185619988 861081986 /nfs/dbraw/zinc/08/19/86/861081986.db2.gz YDOKUPLWBLGNMV-YPMHNXCESA-N 1 0 393.413 3.612 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000185620003 861083344 /nfs/dbraw/zinc/08/33/44/861083344.db2.gz YDOKUPLWBLGNMV-AAEUAGOBSA-N 1 0 393.413 3.612 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)CCOCC1 ZINC000599348571 861086390 /nfs/dbraw/zinc/08/63/90/861086390.db2.gz AAWUMBYBLKIXME-FPOVZHCZSA-N 1 0 398.478 3.607 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000329208790 861140867 /nfs/dbraw/zinc/14/08/67/861140867.db2.gz YUJHXZINFVMEAK-SJORKVTESA-N 1 0 396.535 3.548 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000329237576 861181856 /nfs/dbraw/zinc/18/18/56/861181856.db2.gz PBYXBYSAMUSFIX-ZSLQJQOZSA-N 1 0 399.579 3.999 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCOCC1 ZINC000599414743 861185063 /nfs/dbraw/zinc/18/50/63/861185063.db2.gz HPJXTTNQPQFRRR-SJLPKXTDSA-N 1 0 398.425 3.697 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1C ZINC000182289008 863178536 /nfs/dbraw/zinc/17/85/36/863178536.db2.gz KRUZCYSPCHZGEQ-QGZVFWFLSA-N 1 0 379.460 3.630 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000439671465 863185874 /nfs/dbraw/zinc/18/58/74/863185874.db2.gz JQWMRLFNRSDGGH-FSPWUOQZSA-N 1 0 375.900 3.866 20 30 GHEDRO C[NH+](C)CC(C)(C)CNc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 ZINC001168767006 863308571 /nfs/dbraw/zinc/30/85/71/863308571.db2.gz ZBNWJLNMUINGJW-UHFFFAOYSA-N 1 0 379.508 3.642 20 30 GHEDRO CCn1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000482583822 863343627 /nfs/dbraw/zinc/34/36/27/863343627.db2.gz YJHUCPCWDHZHAC-UHFFFAOYSA-N 1 0 386.499 3.949 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C[NH+](C)C ZINC000615175016 863352087 /nfs/dbraw/zinc/35/20/87/863352087.db2.gz CKXBDTAEAJMXHK-SNVBAGLBSA-N 1 0 388.327 3.904 20 30 GHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC001126932821 863391562 /nfs/dbraw/zinc/39/15/62/863391562.db2.gz GEWGGKUMMNAWBH-XMMPIXPASA-N 1 0 390.527 3.659 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000593946504 863444574 /nfs/dbraw/zinc/44/45/74/863444574.db2.gz GZWSVFIDKBDGEM-MRXNPFEDSA-N 1 0 396.922 3.781 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000593961713 863513309 /nfs/dbraw/zinc/51/33/09/863513309.db2.gz KFPKLUDQKUITHC-IBGZPJMESA-N 1 0 375.516 3.560 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000439708621 863583722 /nfs/dbraw/zinc/58/37/22/863583722.db2.gz ZGBFRFHFSOAHKZ-FQEVSTJZSA-N 1 0 395.503 3.971 20 30 GHEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033054 863828591 /nfs/dbraw/zinc/82/85/91/863828591.db2.gz GBUOFOJGUREKRJ-UHFFFAOYSA-N 1 0 378.432 3.773 20 30 GHEDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480019746 863852812 /nfs/dbraw/zinc/85/28/12/863852812.db2.gz FXKSYEFVMIBDEE-FDDCHVKYSA-N 1 0 385.515 3.884 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103319327 863957870 /nfs/dbraw/zinc/95/78/70/863957870.db2.gz BZVDESWIOGWYLN-QHCPKHFHSA-N 1 0 377.532 3.949 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734172700 864050950 /nfs/dbraw/zinc/05/09/50/864050950.db2.gz RVVZKMVORYWGII-JOCHJYFZSA-N 1 0 379.479 3.635 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000734388406 864207763 /nfs/dbraw/zinc/20/77/63/864207763.db2.gz UQADBBOVASGNGP-KDOFPFPSSA-N 1 0 394.972 3.635 20 30 GHEDRO C=CCOc1ccccc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120719357 881739966 /nfs/dbraw/zinc/73/99/66/881739966.db2.gz UWEWPSPCLOJCNE-UHFFFAOYSA-N 1 0 380.488 3.708 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000897033185 864305042 /nfs/dbraw/zinc/30/50/42/864305042.db2.gz DPCDFYJVMLOPCH-UHFFFAOYSA-N 1 0 392.425 3.601 20 30 GHEDRO Cc1ccc(O)c(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000897055048 864370251 /nfs/dbraw/zinc/37/02/51/864370251.db2.gz MFTQGDRBECILEE-RKDXNWHRSA-N 1 0 390.274 3.698 20 30 GHEDRO C=CC[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000734669307 864393711 /nfs/dbraw/zinc/39/37/11/864393711.db2.gz SMRIJEYYDJWEQR-QFIPXVFZSA-N 1 0 394.519 3.673 20 30 GHEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000272208315 881776647 /nfs/dbraw/zinc/77/66/47/881776647.db2.gz KFOUWUZOQABHRT-CYBMUJFWSA-N 1 0 376.428 3.894 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000554618869 864623290 /nfs/dbraw/zinc/62/32/90/864623290.db2.gz JXLHCJFYKJFQRE-VQTJNVASSA-N 1 0 394.567 3.925 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000184526987 864634202 /nfs/dbraw/zinc/63/42/02/864634202.db2.gz VNILUBNSMUNVSP-CRAIPNDOSA-N 1 0 379.485 3.772 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](C)Cn2ccnc2)cc1OC ZINC000067500956 864653566 /nfs/dbraw/zinc/65/35/66/864653566.db2.gz VHVOFBXZVWGUES-AWEZNQCLSA-N 1 0 394.313 3.645 20 30 GHEDRO CCOCCC[N@@H+]1CCC(N=Nc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000735228838 864672887 /nfs/dbraw/zinc/67/28/87/864672887.db2.gz IZQGXPMWBYSRCM-CQSZACIVSA-N 1 0 391.903 3.926 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1OC ZINC000475361282 864865314 /nfs/dbraw/zinc/86/53/14/864865314.db2.gz MUHQZQHSUBEBKP-SFHVURJKSA-N 1 0 384.314 3.759 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)ccn1 ZINC000594110025 865020743 /nfs/dbraw/zinc/02/07/43/865020743.db2.gz BODIBJGNTSOBSI-NHCUHLMSSA-N 1 0 391.475 3.884 20 30 GHEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2ccc(-c3ccccc3C#N)cc2)O1 ZINC000554847027 865035326 /nfs/dbraw/zinc/03/53/26/865035326.db2.gz OENDPTDDXQGBDO-YYLLSARXSA-N 1 0 390.483 3.909 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc(OC)c1O ZINC000897267518 865037772 /nfs/dbraw/zinc/03/77/72/865037772.db2.gz KPCBIWZAHHHMTP-HXUWFJFHSA-N 1 0 395.499 3.980 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCC1(F)F)C2 ZINC000594141722 865149281 /nfs/dbraw/zinc/14/92/81/865149281.db2.gz NANDDYUJHFROIO-HXUWFJFHSA-N 1 0 381.426 3.558 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001126892563 865231072 /nfs/dbraw/zinc/23/10/72/865231072.db2.gz VBBXHFKXSGOZAA-WOJBJXKFSA-N 1 0 389.543 3.990 20 30 GHEDRO COC(=O)c1c(C)c(C)sc1NC(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000063751144 865303163 /nfs/dbraw/zinc/30/31/63/865303163.db2.gz SNTRXHQHOCFMSL-UHFFFAOYSA-N 1 0 399.516 3.872 20 30 GHEDRO CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccco1 ZINC000555000517 865314310 /nfs/dbraw/zinc/31/43/10/865314310.db2.gz ZONFRBQWIWHCTE-IBGZPJMESA-N 1 0 391.431 3.763 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1 ZINC000171728473 865345828 /nfs/dbraw/zinc/34/58/28/865345828.db2.gz MWUKGJJUUZIYBJ-UHFFFAOYSA-N 1 0 377.460 3.859 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000594255998 865622883 /nfs/dbraw/zinc/62/28/83/865622883.db2.gz KUUAVMVYROVYLO-KRWDZBQOSA-N 1 0 381.545 3.827 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000594288142 865714780 /nfs/dbraw/zinc/71/47/80/865714780.db2.gz MBBTXEVPBCCDIN-IBGZPJMESA-N 1 0 391.515 3.528 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000555222374 865717811 /nfs/dbraw/zinc/71/78/11/865717811.db2.gz GDABHMUPLXIMAJ-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1C#N ZINC000174373476 865742105 /nfs/dbraw/zinc/74/21/05/865742105.db2.gz FWUOLMLDPFQJCC-QFIPXVFZSA-N 1 0 385.467 3.906 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000567605731 865752670 /nfs/dbraw/zinc/75/26/70/865752670.db2.gz BUKKBAUTRXHGLY-SGKWCMOWSA-N 1 0 381.516 3.643 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000555260311 865791317 /nfs/dbraw/zinc/79/13/17/865791317.db2.gz FMNYVQAGWHAFGB-UHFFFAOYSA-N 1 0 376.508 3.677 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000594312353 865792095 /nfs/dbraw/zinc/79/20/95/865792095.db2.gz BBMKILYSUCDMMP-SFHVURJKSA-N 1 0 391.515 3.580 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CCC)CC1 ZINC000555268407 865805387 /nfs/dbraw/zinc/80/53/87/865805387.db2.gz INOMRNWRYKBDPQ-UHFFFAOYSA-N 1 0 389.931 3.715 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000173780499 865839950 /nfs/dbraw/zinc/83/99/50/865839950.db2.gz NESJFVFMYABGHZ-NRFANRHFSA-N 1 0 392.503 3.987 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740025484 865846646 /nfs/dbraw/zinc/84/66/46/865846646.db2.gz GWAUYIZSHNSQSD-UHFFFAOYSA-N 1 0 382.533 3.959 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000481161920 865898327 /nfs/dbraw/zinc/89/83/27/865898327.db2.gz BZPJKAMYGDAIHJ-IFMALSPDSA-N 1 0 382.529 3.723 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000174379514 865901558 /nfs/dbraw/zinc/90/15/58/865901558.db2.gz LVTRYHUMQMJGMQ-RBUKOAKNSA-N 1 0 387.487 3.858 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+]1CCCC[C@H]1C ZINC000609058186 865941136 /nfs/dbraw/zinc/94/11/36/865941136.db2.gz YNPSSTHHAHUDHW-IAGOWNOFSA-N 1 0 381.476 3.723 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(COc3ccc(C)cc3C)o2)CC1 ZINC000740736133 865974682 /nfs/dbraw/zinc/97/46/82/865974682.db2.gz FTJFOYMWSWGGGG-UHFFFAOYSA-N 1 0 380.488 3.693 20 30 GHEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000475695798 881927198 /nfs/dbraw/zinc/92/71/98/881927198.db2.gz JOZFOTGVSVPUFL-NRFANRHFSA-N 1 0 389.565 3.700 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000655730160 881946506 /nfs/dbraw/zinc/94/65/06/881946506.db2.gz HHMYYOBIFKSUPM-UHFFFAOYSA-N 1 0 389.341 3.683 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(F)cc2Br)CC1 ZINC000478619648 866368107 /nfs/dbraw/zinc/36/81/07/866368107.db2.gz HEMNVVJADSOSDO-UHFFFAOYSA-N 1 0 398.320 3.770 20 30 GHEDRO COC(=O)c1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1C ZINC001168074381 866464807 /nfs/dbraw/zinc/46/48/07/866464807.db2.gz ROSJTXILANILOD-UHFFFAOYSA-N 1 0 391.471 3.504 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000552923869 866499588 /nfs/dbraw/zinc/49/95/88/866499588.db2.gz SRRJFRZNFLOFNT-HNNXBMFYSA-N 1 0 377.271 3.884 20 30 GHEDRO CN1CCCc2cc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)ccc21 ZINC000305199150 866575474 /nfs/dbraw/zinc/57/54/74/866575474.db2.gz FDJHENHTMGZVRG-UHFFFAOYSA-N 1 0 378.398 3.894 20 30 GHEDRO C[C@@H]1CN(CCOC2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000553025474 866643541 /nfs/dbraw/zinc/64/35/41/866643541.db2.gz AAJDJOAQRBBJCT-BGYRXZFFSA-N 1 0 399.579 3.578 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000534378954 866688688 /nfs/dbraw/zinc/68/86/88/866688688.db2.gz KZPVZRCKDFNAQL-TZIWHRDSSA-N 1 0 383.536 3.687 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000456550864 866810255 /nfs/dbraw/zinc/81/02/55/866810255.db2.gz LVMCMGAIIXNILZ-LJQANCHMSA-N 1 0 393.535 3.637 20 30 GHEDRO CC[N@H+](CCCCC(C)(C)C#N)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000444593313 866918438 /nfs/dbraw/zinc/91/84/38/866918438.db2.gz RDLFGBUFWCNCMK-UHFFFAOYSA-N 1 0 386.496 3.895 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H]1CCCC[C@H]1C ZINC000444681188 867057237 /nfs/dbraw/zinc/05/72/37/867057237.db2.gz YSOOZGWORFKIQC-OXQOHEQNSA-N 1 0 388.556 3.852 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H]1CCCC[C@@H]1C ZINC000444681187 867057989 /nfs/dbraw/zinc/05/79/89/867057989.db2.gz YSOOZGWORFKIQC-OXJNMPFZSA-N 1 0 388.556 3.852 20 30 GHEDRO Cc1cc(Br)ccc1C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000444701401 867086796 /nfs/dbraw/zinc/08/67/96/867086796.db2.gz PUIFKCDSDTVGMJ-SFHVURJKSA-N 1 0 389.293 3.501 20 30 GHEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCC1(C)C ZINC000444780909 867186033 /nfs/dbraw/zinc/18/60/33/867186033.db2.gz NMUCNHXJRQWOFU-LJQANCHMSA-N 1 0 377.492 3.749 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1)CC(C)C ZINC000508510221 867313307 /nfs/dbraw/zinc/31/33/07/867313307.db2.gz BFNLKTVMSQNJNB-UHFFFAOYSA-N 1 0 394.567 3.938 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C12CCCCC2 ZINC000429794543 867313279 /nfs/dbraw/zinc/31/32/79/867313279.db2.gz XIANMKQYZSJVFD-DLBZAZTESA-N 1 0 375.538 3.893 20 30 GHEDRO Cc1ccc(OCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000479280278 867473549 /nfs/dbraw/zinc/47/35/49/867473549.db2.gz ODZWIVIEWKLMDQ-UHFFFAOYSA-N 1 0 391.515 3.747 20 30 GHEDRO C[C@@H](SCc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479270601 867491781 /nfs/dbraw/zinc/49/17/81/867491781.db2.gz DXATYCMDVLGWAU-LJQANCHMSA-N 1 0 393.556 3.983 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000440608767 867500322 /nfs/dbraw/zinc/50/03/22/867500322.db2.gz BHKNMOZMETZMTD-MRXNPFEDSA-N 1 0 378.394 3.526 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000121354001 882091327 /nfs/dbraw/zinc/09/13/27/882091327.db2.gz YBJSSJNFHHADBQ-KRWDZBQOSA-N 1 0 383.492 3.944 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000743070464 867819886 /nfs/dbraw/zinc/81/98/86/867819886.db2.gz LBSWEGDSAGEPIO-MRXNPFEDSA-N 1 0 377.558 3.919 20 30 GHEDRO C=CCCCC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000479525571 867921034 /nfs/dbraw/zinc/92/10/34/867921034.db2.gz KBQBQYADMZRZJU-UHFFFAOYSA-N 1 0 383.458 3.690 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000743204047 867926008 /nfs/dbraw/zinc/92/60/08/867926008.db2.gz UZNOPDAMNKJOBU-FQEVSTJZSA-N 1 0 381.451 3.796 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479537180 867970009 /nfs/dbraw/zinc/97/00/09/867970009.db2.gz NSJDATSEMSQURO-HXUWFJFHSA-N 1 0 384.568 3.526 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)([NH+](C)C)C1 ZINC000609071489 868143221 /nfs/dbraw/zinc/14/32/21/868143221.db2.gz ANEVLTMKYWHBMH-GAJHUEQPSA-N 1 0 395.503 3.971 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000743401848 868165105 /nfs/dbraw/zinc/16/51/05/868165105.db2.gz CPOOIRMXRBBOMX-JOCHJYFZSA-N 1 0 385.515 3.833 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)CC1 ZINC000743492978 868237346 /nfs/dbraw/zinc/23/73/46/868237346.db2.gz CVFDNOVLWQAFNK-UHFFFAOYSA-N 1 0 394.519 3.543 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000743493273 868237894 /nfs/dbraw/zinc/23/78/94/868237894.db2.gz LUQLYZUPAMCODT-UHFFFAOYSA-N 1 0 393.965 3.671 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(OC)c1 ZINC000620934198 868245623 /nfs/dbraw/zinc/24/56/23/868245623.db2.gz MJWVEOOCJMYNGL-RTWAWAEBSA-N 1 0 383.488 3.706 20 30 GHEDRO CCCCN(C)C(=O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000156243436 868299787 /nfs/dbraw/zinc/29/97/87/868299787.db2.gz APDAENKINMQQME-UHFFFAOYSA-N 1 0 396.453 3.907 20 30 GHEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659301894 868319958 /nfs/dbraw/zinc/31/99/58/868319958.db2.gz KWVJPWJEGZCKQZ-ZJUUUORDSA-N 1 0 386.311 3.785 20 30 GHEDRO CC(C)(C)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609317263 882181317 /nfs/dbraw/zinc/18/13/17/882181317.db2.gz QOZORERCFIUPNR-UHFFFAOYSA-N 1 0 377.554 3.558 20 30 GHEDRO Cc1nsc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000459570851 868435625 /nfs/dbraw/zinc/43/56/25/868435625.db2.gz CABWHTXGSDHHLF-YOEHRIQHSA-N 1 0 383.521 3.840 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669807256 868525237 /nfs/dbraw/zinc/52/52/37/868525237.db2.gz VHODRYRCLPRTTI-QZTJIDSGSA-N 1 0 399.539 3.533 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000524190522 868685326 /nfs/dbraw/zinc/68/53/26/868685326.db2.gz GBRSYKQEIWYPPS-UHFFFAOYSA-N 1 0 379.529 3.740 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000669812220 868705203 /nfs/dbraw/zinc/70/52/03/868705203.db2.gz SDRLTUIMRJSMEP-UHFFFAOYSA-N 1 0 379.552 3.562 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@@H](c1cccnc1)C1CC1)CCCCC2 ZINC000544404017 868733087 /nfs/dbraw/zinc/73/30/87/868733087.db2.gz HWKQVVANBMNJBN-HXUWFJFHSA-N 1 0 380.517 3.963 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000524257726 868804557 /nfs/dbraw/zinc/80/45/57/868804557.db2.gz YWXXOQDONYWJTE-UHFFFAOYSA-N 1 0 388.349 3.525 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000744407013 868815739 /nfs/dbraw/zinc/81/57/39/868815739.db2.gz QPOJFDNZDUHPRS-RBUKOAKNSA-N 1 0 390.487 3.647 20 30 GHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000442763704 868827832 /nfs/dbraw/zinc/82/78/32/868827832.db2.gz BKTSYOVOIHKEIT-GOSISDBHSA-N 1 0 392.421 3.928 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000524434680 869054155 /nfs/dbraw/zinc/05/41/55/869054155.db2.gz DFQYEVUCDAFNII-UHFFFAOYSA-N 1 0 380.439 3.744 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000524451518 869101575 /nfs/dbraw/zinc/10/15/75/869101575.db2.gz JZSINSAFPZAHAH-GHTZIAJQSA-N 1 0 397.544 3.713 20 30 GHEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000539522745 869281163 /nfs/dbraw/zinc/28/11/63/869281163.db2.gz OXKCKCAKWMGLOL-LBPRGKRZSA-N 1 0 387.256 3.828 20 30 GHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H](O)c1c(Cl)cccc1Cl ZINC000793584825 882290500 /nfs/dbraw/zinc/29/05/00/882290500.db2.gz SPLVABSLVSFKNX-ZMZPIMSZSA-N 1 0 375.259 3.724 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000524710902 869479079 /nfs/dbraw/zinc/47/90/79/869479079.db2.gz LUCDWUSJQOLSBV-GOSISDBHSA-N 1 0 397.548 3.944 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000766330380 869508003 /nfs/dbraw/zinc/50/80/03/869508003.db2.gz JXWGWLXZAXXYFL-MSOLQXFVSA-N 1 0 375.538 3.827 20 30 GHEDRO CC[C@H](C)[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000446274302 869624555 /nfs/dbraw/zinc/62/45/55/869624555.db2.gz FZKVLZBWQYQVMQ-YJBOKZPZSA-N 1 0 396.457 3.753 20 30 GHEDRO C[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000462545441 869640090 /nfs/dbraw/zinc/64/00/90/869640090.db2.gz PHNMSERVJTUHOB-PGRDOPGGSA-N 1 0 376.504 3.570 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000539785080 869767758 /nfs/dbraw/zinc/76/77/58/869767758.db2.gz BUWJOJPGMGODBG-UHFFFAOYSA-N 1 0 398.894 3.614 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC3(CC2)OCCc2ccsc23)c1 ZINC000539812521 869828907 /nfs/dbraw/zinc/82/89/07/869828907.db2.gz FQBNFIRRVWZQON-UHFFFAOYSA-N 1 0 381.501 3.512 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000092484809 882363797 /nfs/dbraw/zinc/36/37/97/882363797.db2.gz PAKUPFNSFOXXAJ-UHFFFAOYSA-N 1 0 383.517 3.825 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1OCC ZINC000462767271 870033689 /nfs/dbraw/zinc/03/36/89/870033689.db2.gz KORCGMANUOAVJH-ZFWWWQNUSA-N 1 0 384.314 3.927 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540042488 870288711 /nfs/dbraw/zinc/28/87/11/870288711.db2.gz NLAODEZFBKWFGC-SFHVURJKSA-N 1 0 394.494 3.811 20 30 GHEDRO COc1cccc(C2([NH2+]CC(=O)N(CCC#N)c3ccc(C)c(C)c3)CC2)c1 ZINC000775523422 870323229 /nfs/dbraw/zinc/32/32/29/870323229.db2.gz IRSZGNDIVSHWQT-UHFFFAOYSA-N 1 0 377.488 3.838 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC2CC(O)C2)cc1OCC ZINC000191155008 870363156 /nfs/dbraw/zinc/36/31/56/870363156.db2.gz UNKJKIQHGFSXPL-UHFFFAOYSA-N 1 0 384.314 3.615 20 30 GHEDRO CC[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000538729598 870447406 /nfs/dbraw/zinc/44/74/06/870447406.db2.gz CFCWMUWPSOFXDC-JOCHJYFZSA-N 1 0 377.488 3.997 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000746343492 870465637 /nfs/dbraw/zinc/46/56/37/870465637.db2.gz DYSYZKPQPXFHHL-NRFANRHFSA-N 1 0 390.531 3.770 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000540183475 870701971 /nfs/dbraw/zinc/70/19/71/870701971.db2.gz HWRGCHPIWCAWML-CQSZACIVSA-N 1 0 387.867 3.606 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)Nc1c[nH+]ccc1N1CCN(C(C)=O)CC1 ZINC001192921032 870763046 /nfs/dbraw/zinc/76/30/46/870763046.db2.gz JCFJXZPHQOACRE-KRWDZBQOSA-N 1 0 389.544 3.621 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001192937514 870798455 /nfs/dbraw/zinc/79/84/55/870798455.db2.gz FIYJGASREAMCQR-RBUKOAKNSA-N 1 0 395.588 3.794 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000538912231 870868640 /nfs/dbraw/zinc/86/86/40/870868640.db2.gz IIXSRVIQJNWQKT-UHFFFAOYSA-N 1 0 390.940 3.891 20 30 GHEDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)cc1 ZINC001193052752 870876367 /nfs/dbraw/zinc/87/63/67/870876367.db2.gz DHKGLTJITXXTCL-QFIPXVFZSA-N 1 0 375.516 3.862 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168828812 870883842 /nfs/dbraw/zinc/88/38/42/870883842.db2.gz KAXFNWTYAQQITD-DYESRHJHSA-N 1 0 398.551 3.510 20 30 GHEDRO COc1ccc(CN2CC[C@@H]([NH2+]C(C)(C)c3ccc(C#N)cc3)CC2=O)cc1 ZINC001168893119 870936228 /nfs/dbraw/zinc/93/62/28/870936228.db2.gz NWYMNWXGTLOVLH-HXUWFJFHSA-N 1 0 377.488 3.583 20 30 GHEDRO C[C@@H](CCO)[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000538954092 870968692 /nfs/dbraw/zinc/96/86/92/870968692.db2.gz OEGDCYGJOSZTNM-SFHVURJKSA-N 1 0 399.922 3.860 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC001193307777 871016763 /nfs/dbraw/zinc/01/67/63/871016763.db2.gz AYYZZRVMCAUMQV-UHFFFAOYSA-N 1 0 387.886 3.937 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508870619 871119688 /nfs/dbraw/zinc/11/96/88/871119688.db2.gz APPILXWNQPHFHJ-FQEVSTJZSA-N 1 0 395.551 3.670 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OCC(C)C ZINC000540366832 871126648 /nfs/dbraw/zinc/12/66/48/871126648.db2.gz TWTYBOOBFPRTHE-JKSBSHDWSA-N 1 0 389.540 3.824 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000540407059 871196190 /nfs/dbraw/zinc/19/61/90/871196190.db2.gz GYRGPVJQSMERRS-OAQYLSRUSA-N 1 0 386.492 3.992 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H](CO)c3cccc(Cl)c3F)CC2)cc1 ZINC000463246145 871259186 /nfs/dbraw/zinc/25/91/86/871259186.db2.gz HNIOPXSKWQXWHT-FQEVSTJZSA-N 1 0 387.886 3.638 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC000540456984 871348140 /nfs/dbraw/zinc/34/81/40/871348140.db2.gz TTXPHUWNZKSSTE-GOSISDBHSA-N 1 0 390.405 3.986 20 30 GHEDRO COc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)cc1OCCCC#N ZINC000122323970 882504055 /nfs/dbraw/zinc/50/40/55/882504055.db2.gz HEUZRLWEZIDAKQ-UHFFFAOYSA-N 1 0 393.531 3.738 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](C3CCC(OC(=O)c4ccccc4)CC3)CC2)c1 ZINC001169305772 871399997 /nfs/dbraw/zinc/39/99/97/871399997.db2.gz OMKXKTAZVPHZBA-UHFFFAOYSA-N 1 0 389.499 3.848 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000463313920 871421634 /nfs/dbraw/zinc/42/16/34/871421634.db2.gz HPSGJUYZQQUCMU-RZDIXWSQSA-N 1 0 392.341 3.645 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(N2CCCC2)c1 ZINC000447388289 871518014 /nfs/dbraw/zinc/51/80/14/871518014.db2.gz WPRVKTIIBGNLGJ-HNAYVOBHSA-N 1 0 380.517 3.676 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CCCOc2cccc(C#N)c2)CC1 ZINC001194161725 871519705 /nfs/dbraw/zinc/51/97/05/871519705.db2.gz CPADZXLTWBTXRM-UHFFFAOYSA-N 1 0 385.508 3.803 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000103267990 871568136 /nfs/dbraw/zinc/56/81/36/871568136.db2.gz NLELKQDYMCHUCY-KRWDZBQOSA-N 1 0 394.471 3.544 20 30 GHEDRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000766732547 871568671 /nfs/dbraw/zinc/56/86/71/871568671.db2.gz FJIWHQKGWAAQMK-ZDUSSCGKSA-N 1 0 398.406 3.581 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000525859061 871590841 /nfs/dbraw/zinc/59/08/41/871590841.db2.gz IHKMCWNITPFEEK-APMMTJHUSA-N 1 0 390.487 3.879 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC001169554653 871633898 /nfs/dbraw/zinc/63/38/98/871633898.db2.gz MAGGDRNLVDXMFL-IRLDBZIGSA-N 1 0 389.499 3.707 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000122366610 871652749 /nfs/dbraw/zinc/65/27/49/871652749.db2.gz LVKYWWYGJLNCQW-UHFFFAOYSA-N 1 0 394.494 3.502 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCc1cccc(Br)c1 ZINC000463418159 871676608 /nfs/dbraw/zinc/67/66/08/871676608.db2.gz QPEOZOZMIIHFOL-CQSZACIVSA-N 1 0 386.293 3.822 20 30 GHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCCCC1 ZINC000540589378 871689005 /nfs/dbraw/zinc/68/90/05/871689005.db2.gz VCCBXIGCOAFPOZ-LJQANCHMSA-N 1 0 388.581 3.500 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC001194444442 871724067 /nfs/dbraw/zinc/72/40/67/871724067.db2.gz BOCXWMXBJHYXHU-CEWLAPEOSA-N 1 0 383.536 3.876 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2ccccc2CC#N)cc1 ZINC000776969691 882542240 /nfs/dbraw/zinc/54/22/40/882542240.db2.gz JFFMZZCKDPHHNF-IBGZPJMESA-N 1 0 375.516 3.986 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1CC#N ZINC000776973552 882544346 /nfs/dbraw/zinc/54/43/46/882544346.db2.gz GTKIOCSWOMZHNH-OAQYLSRUSA-N 1 0 375.516 3.666 20 30 GHEDRO CC[N@H+](CCCC(=O)N[C@H](C#N)c1ccccc1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183046465 912215175 /nfs/dbraw/zinc/21/51/75/912215175.db2.gz SBXBCQAAWFSCHM-PGRDOPGGSA-N 1 0 379.504 3.806 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCOCc3ccc(Cl)cc3)CC2)cc1 ZINC000182072417 871800269 /nfs/dbraw/zinc/80/02/69/871800269.db2.gz YHWVLMOKLMWSPA-UHFFFAOYSA-N 1 0 383.923 3.982 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618667759 871816282 /nfs/dbraw/zinc/81/62/82/871816282.db2.gz HXELOXRXCOGTBK-HXUWFJFHSA-N 1 0 389.503 3.509 20 30 GHEDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000191657136 882553418 /nfs/dbraw/zinc/55/34/18/882553418.db2.gz OSIRWSYHZRNJLW-LAUBAEHRSA-N 1 0 389.565 3.892 20 30 GHEDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000191667251 882556211 /nfs/dbraw/zinc/55/62/11/882556211.db2.gz PPFWETHJFXIKBG-LAUBAEHRSA-N 1 0 389.565 3.750 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CCCN(C(=O)c4ccccc4)C3)C2)cc1 ZINC001169787942 871883348 /nfs/dbraw/zinc/88/33/48/871883348.db2.gz FUPPQZUAJNMOTR-JTHBVZDNSA-N 1 0 389.499 3.706 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000447591078 871899453 /nfs/dbraw/zinc/89/94/53/871899453.db2.gz GVWDLBKPAZZWOX-OAHLLOKOSA-N 1 0 391.231 3.811 20 30 GHEDRO CCCCCCCCOC(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001194740265 871900061 /nfs/dbraw/zinc/90/00/61/871900061.db2.gz GFXOLSXFZPGXPX-UHFFFAOYSA-N 1 0 394.560 3.664 20 30 GHEDRO CCCCCCCCOC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001194740225 871900304 /nfs/dbraw/zinc/90/03/04/871900304.db2.gz FFRGNJAROQJZOW-SFTDATJTSA-N 1 0 389.540 3.854 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](c3ccco3)N3CCCCC3)CC2)cc1 ZINC000552040996 871920596 /nfs/dbraw/zinc/92/05/96/871920596.db2.gz UNGIECVFPVSZOQ-JOCHJYFZSA-N 1 0 378.520 3.937 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429722829 872014140 /nfs/dbraw/zinc/01/41/40/872014140.db2.gz UAAHRMJCMMIEJM-IBGZPJMESA-N 1 0 393.535 3.848 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1Nc1c(C#N)cnn1C(=O)OC ZINC001169968966 872046262 /nfs/dbraw/zinc/04/62/62/872046262.db2.gz QWDZUUJCTCKMDU-UHFFFAOYSA-N 1 0 395.385 3.973 20 30 GHEDRO CCN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618849113 872071412 /nfs/dbraw/zinc/07/14/12/872071412.db2.gz MIKPHINDWJEAMG-GGAORHGYSA-N 1 0 388.515 3.852 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCCC2)cc1 ZINC000237497428 872095864 /nfs/dbraw/zinc/09/58/64/872095864.db2.gz CSCDAXJFJAZKBX-WZONZLPQSA-N 1 0 379.504 3.913 20 30 GHEDRO C=CCCOc1ccc(C(=O)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc1 ZINC001195123204 872185163 /nfs/dbraw/zinc/18/51/63/872185163.db2.gz PXPYTTNWULJBLT-LJQANCHMSA-N 1 0 386.536 3.793 20 30 GHEDRO CC1(C)CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@H]1C#N ZINC000552191347 872220260 /nfs/dbraw/zinc/22/02/60/872220260.db2.gz AQBAUOIRWGFIPS-ROUUACIJSA-N 1 0 375.463 3.685 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NCCOC)cc1 ZINC000022791714 872309644 /nfs/dbraw/zinc/30/96/44/872309644.db2.gz ILZXWCHKMURYFD-UHFFFAOYSA-O 1 0 391.944 3.755 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001195420054 872408014 /nfs/dbraw/zinc/40/80/14/872408014.db2.gz HLQSNEPJBXDPII-VJBMBRPKSA-N 1 0 388.515 3.634 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478046307 872414486 /nfs/dbraw/zinc/41/44/86/872414486.db2.gz MIOKPGSHZCQDIG-RBUKOAKNSA-N 1 0 382.552 3.862 20 30 GHEDRO C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCCc4cc(C#N)ccc43)nc2)C1 ZINC000619508610 872696057 /nfs/dbraw/zinc/69/60/57/872696057.db2.gz OKYHOKZECDMEMQ-UNMCSNQZSA-N 1 0 375.520 3.973 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000619501236 872703894 /nfs/dbraw/zinc/70/38/94/872703894.db2.gz JAHZCHYNDVZDNH-HDICACEKSA-N 1 0 390.437 3.953 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000541055365 872808465 /nfs/dbraw/zinc/80/84/65/872808465.db2.gz XURLUKNDFPYKIU-YJBOKZPZSA-N 1 0 375.538 3.550 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176025756 882657930 /nfs/dbraw/zinc/65/79/30/882657930.db2.gz GFCQMAJCSCDZBL-UHFFFAOYSA-N 1 0 386.496 3.699 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619741584 872943845 /nfs/dbraw/zinc/94/38/45/872943845.db2.gz SJYIJULAZKVXPO-QFIPXVFZSA-N 1 0 398.514 3.713 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000527297850 872972957 /nfs/dbraw/zinc/97/29/57/872972957.db2.gz UDFPSOUAKLMSLK-ZWKOTPCHSA-N 1 0 393.535 3.748 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000619760984 872975391 /nfs/dbraw/zinc/97/53/91/872975391.db2.gz CMONCPDBVLUQQK-GOSISDBHSA-N 1 0 382.895 3.533 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000191938073 882673805 /nfs/dbraw/zinc/67/38/05/882673805.db2.gz PCPQTJQYORRPGZ-UHFFFAOYSA-N 1 0 385.552 3.856 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(SCC#N)c2)c1 ZINC000191948603 882679488 /nfs/dbraw/zinc/67/94/88/882679488.db2.gz SIQZJVSJVKBJEI-UHFFFAOYSA-N 1 0 383.517 3.515 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1Cc2ccc(O)cc2C2(CC2)C1)C(C)C ZINC000464016312 873044292 /nfs/dbraw/zinc/04/42/92/873044292.db2.gz OWIQSWBAOXIHII-NRFANRHFSA-N 1 0 383.536 3.648 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619826574 873058200 /nfs/dbraw/zinc/05/82/00/873058200.db2.gz BRKOJONLCVMKQZ-UHFFFAOYSA-N 1 0 376.932 3.865 20 30 GHEDRO Cn1c(=O)c2ccccc2nc1N=NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000768355891 873254146 /nfs/dbraw/zinc/25/41/46/873254146.db2.gz VBFYZXYDVOKUDU-KDURUIRLSA-N 1 0 387.487 3.528 20 30 GHEDRO CC[C@@H]1CCCC[C@@H]1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000464156833 873298491 /nfs/dbraw/zinc/29/84/91/873298491.db2.gz CKPIAGNINSKCML-RTWAWAEBSA-N 1 0 383.536 3.646 20 30 GHEDRO COCC[N@H+](C)CC[C@H](Nc1ccc(C(F)(F)F)c(C#N)n1)c1ccccc1 ZINC000443507521 873302332 /nfs/dbraw/zinc/30/23/32/873302332.db2.gz BFFPSUKATCAXSN-KRWDZBQOSA-N 1 0 392.425 3.515 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCCOC2)cc1OC ZINC000527733707 873510729 /nfs/dbraw/zinc/51/07/29/873510729.db2.gz FYCCUEBDNSSBSW-AWEZNQCLSA-N 1 0 384.314 3.929 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858018821 882731496 /nfs/dbraw/zinc/73/14/96/882731496.db2.gz DBRGMOBTFXERRD-HXUWFJFHSA-N 1 0 390.487 3.703 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858020031 882734513 /nfs/dbraw/zinc/73/45/13/882734513.db2.gz LVLATFKAFMNMLU-NRFANRHFSA-N 1 0 390.487 3.703 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c(-c2ccncc2)n1 ZINC000527751605 873557437 /nfs/dbraw/zinc/55/74/37/873557437.db2.gz YRNIXSJWAYEZGA-TUNNFDKTSA-N 1 0 389.890 3.940 20 30 GHEDRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000527771314 873583597 /nfs/dbraw/zinc/58/35/97/873583597.db2.gz JJCKGHHSAWISAS-GOSISDBHSA-N 1 0 389.421 3.950 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609130143 873591894 /nfs/dbraw/zinc/59/18/94/873591894.db2.gz IASBYOVORUWEMF-FYYLOGMGSA-N 1 0 394.563 3.642 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001197105253 873602045 /nfs/dbraw/zinc/60/20/45/873602045.db2.gz RBYZTKOZNKVCFZ-AWEZNQCLSA-N 1 0 386.293 3.822 20 30 GHEDRO COc1ccc(CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1C#N ZINC000768951856 873731581 /nfs/dbraw/zinc/73/15/81/873731581.db2.gz PKUXSVUMUJNXMR-NRFANRHFSA-N 1 0 394.519 3.523 20 30 GHEDRO Cc1cc(NC(=O)Nc2ccc(CCC#N)cc2)ccc1N1CC[NH+](C)CC1 ZINC001197367628 873776785 /nfs/dbraw/zinc/77/67/85/873776785.db2.gz MSEDDPHNTSECSR-UHFFFAOYSA-N 1 0 377.492 3.847 20 30 GHEDRO CN(CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001197421637 873804508 /nfs/dbraw/zinc/80/45/08/873804508.db2.gz NJWKOOWIXCCXMV-QFIPXVFZSA-N 1 0 390.531 3.873 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001197697501 873988163 /nfs/dbraw/zinc/98/81/63/873988163.db2.gz JYSMYGWLDWQJRM-JOCHJYFZSA-N 1 0 376.529 3.853 20 30 GHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508788622 882788771 /nfs/dbraw/zinc/78/87/71/882788771.db2.gz DCAMNDQQIZMGJC-QGZVFWFLSA-N 1 0 391.466 3.509 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc(OC)c1O ZINC000769425371 874047709 /nfs/dbraw/zinc/04/77/09/874047709.db2.gz RFLGOSCFOGAPNX-CRAIPNDOSA-N 1 0 390.524 3.864 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)cc1 ZINC001197796442 874053706 /nfs/dbraw/zinc/05/37/06/874053706.db2.gz DOAUDHLRNOLAJM-PMACEKPBSA-N 1 0 382.552 3.579 20 30 GHEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000494674995 882791198 /nfs/dbraw/zinc/79/11/98/882791198.db2.gz RZSZOLVGUJEXJC-KRWDZBQOSA-N 1 0 391.924 3.588 20 30 GHEDRO C=CC[C@H]([NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccncc1 ZINC000769519905 874126755 /nfs/dbraw/zinc/12/67/55/874126755.db2.gz SKARMBOWYLVBHP-NEWSRXKRSA-N 1 0 375.513 3.703 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000541704600 874145567 /nfs/dbraw/zinc/14/55/67/874145567.db2.gz JMGWBRMFFZCDKW-ZDUSSCGKSA-N 1 0 398.429 3.693 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000541717660 874158043 /nfs/dbraw/zinc/15/80/43/874158043.db2.gz BQYFPNPIHFLDSU-UXHICEINSA-N 1 0 383.536 3.830 20 30 GHEDRO N#Cc1cscc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000550899121 882804514 /nfs/dbraw/zinc/80/45/14/882804514.db2.gz PDLXVMYYIUDQHI-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c(F)c1 ZINC000541761511 874226733 /nfs/dbraw/zinc/22/67/33/874226733.db2.gz AWZFIFWWZQOKLP-UHFFFAOYSA-N 1 0 376.229 3.578 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000464654784 874262572 /nfs/dbraw/zinc/26/25/72/874262572.db2.gz KKELNHNVAWZIII-GOSISDBHSA-N 1 0 381.476 3.534 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC3(CCC3)C2)c1C#N ZINC000122936317 882811038 /nfs/dbraw/zinc/81/10/38/882811038.db2.gz PAZCADYOCVUEHN-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO COc1cc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ccc1OCc1cccc(C#N)c1 ZINC001198261499 874292397 /nfs/dbraw/zinc/29/23/97/874292397.db2.gz YWWWRBTVFIDACT-QPPBQGQZSA-N 1 0 391.515 3.529 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769829295 874312936 /nfs/dbraw/zinc/31/29/36/874312936.db2.gz MZMPKUOMAVKRMV-MRXNPFEDSA-N 1 0 396.453 3.578 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000448986084 874317345 /nfs/dbraw/zinc/31/73/45/874317345.db2.gz ZTNSMKFTIYQDJH-UHFFFAOYSA-N 1 0 378.516 3.917 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000464835063 874568513 /nfs/dbraw/zinc/56/85/13/874568513.db2.gz WSZSTSPROMLQIK-LJQANCHMSA-N 1 0 383.536 3.830 20 30 GHEDRO CCCCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000464852117 874638521 /nfs/dbraw/zinc/63/85/21/874638521.db2.gz AVWBRFODARSLQD-UHFFFAOYSA-N 1 0 375.538 3.718 20 30 GHEDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000541983435 874703458 /nfs/dbraw/zinc/70/34/58/874703458.db2.gz JNIVCMZWAFGSID-QFBILLFUSA-N 1 0 383.517 3.651 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(C)C[C@@H]1Cc1ccccc1 ZINC001199050205 874776508 /nfs/dbraw/zinc/77/65/08/874776508.db2.gz VHFMMWHENPSXTI-FQEVSTJZSA-N 1 0 392.503 3.736 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000449356842 874778783 /nfs/dbraw/zinc/77/87/83/874778783.db2.gz JJMOPHUINPQASL-OAHLLOKOSA-N 1 0 377.893 3.566 20 30 GHEDRO Cc1nccc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000609144512 874836893 /nfs/dbraw/zinc/83/68/93/874836893.db2.gz SVKYIZKDCWBFML-INIZCTEOSA-N 1 0 383.883 3.518 20 30 GHEDRO CC(C)Oc1cccnc1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001199242951 874870189 /nfs/dbraw/zinc/87/01/89/874870189.db2.gz LYAQBZXFAOQMTK-MXVIHJGJSA-N 1 0 392.503 3.653 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cccc3c2OCCO3)cc1OC ZINC000858136122 882871792 /nfs/dbraw/zinc/87/17/92/882871792.db2.gz KYKWLMBZAHMMHY-UHFFFAOYSA-N 1 0 375.852 3.974 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1OC ZINC000858136444 882871929 /nfs/dbraw/zinc/87/19/29/882871929.db2.gz SVRQFETYJBJZTQ-GOSISDBHSA-N 1 0 394.943 3.646 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000464989682 874907467 /nfs/dbraw/zinc/90/74/67/874907467.db2.gz YAQDRHKVVPKDRC-NRFANRHFSA-N 1 0 375.472 3.825 20 30 GHEDRO C=CCC[C@@H](CC)[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449516659 874984137 /nfs/dbraw/zinc/98/41/37/874984137.db2.gz HBPLDCVTSVUTLI-IEBWSBKVSA-N 1 0 378.582 3.950 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000542119425 875003327 /nfs/dbraw/zinc/00/33/27/875003327.db2.gz AQTSTWJADOXMND-UHFFFAOYSA-N 1 0 380.330 3.648 20 30 GHEDRO CCC(CC)[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC000761654768 882887128 /nfs/dbraw/zinc/88/71/28/882887128.db2.gz XCAVBWQYTXQLPJ-FGZHOGPDSA-N 1 0 398.551 3.542 20 30 GHEDRO C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134461509 882900556 /nfs/dbraw/zinc/90/05/56/882900556.db2.gz SDMSCGWGSSVHBG-CYBMUJFWSA-N 1 0 375.460 3.766 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)cnc2-n2nnc3ccc(C[NH3+])cc32)c1 ZINC001170024509 875137557 /nfs/dbraw/zinc/13/75/57/875137557.db2.gz ZRGRIJGVEZAYCX-UHFFFAOYSA-N 1 0 394.360 3.832 20 30 GHEDRO C=CCSc1ncccc1C(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001199734951 875179081 /nfs/dbraw/zinc/17/90/81/875179081.db2.gz HPKQIMLYFQDBEL-INIZCTEOSA-N 1 0 399.564 3.613 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1n1cccn1 ZINC000449655246 875189761 /nfs/dbraw/zinc/18/97/61/875189761.db2.gz GXLJQOXLQPXBJM-BHDDXSALSA-N 1 0 393.535 3.510 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475731806 882908085 /nfs/dbraw/zinc/90/80/85/882908085.db2.gz OIYOYXPDCOSJKH-IBGZPJMESA-N 1 0 392.341 3.716 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccc(OCC#N)c1 ZINC000771445151 875271352 /nfs/dbraw/zinc/27/13/52/875271352.db2.gz DJPYZSVKJYPJIQ-UHFFFAOYSA-N 1 0 393.491 3.754 20 30 GHEDRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2)n1 ZINC000105491661 875312070 /nfs/dbraw/zinc/31/20/70/875312070.db2.gz OJJCBVSFEDDAAE-UHFFFAOYSA-N 1 0 389.503 3.981 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000776149617 875597325 /nfs/dbraw/zinc/59/73/25/875597325.db2.gz XTBWSIAZJDORMQ-UHFFFAOYSA-N 1 0 376.500 3.617 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(OCC#N)cc1 ZINC000776170065 875688174 /nfs/dbraw/zinc/68/81/74/875688174.db2.gz IGBVQALLCWISBZ-UKRRQHHQSA-N 1 0 387.842 3.838 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000178830037 882957050 /nfs/dbraw/zinc/95/70/50/882957050.db2.gz CSCWZEQHRVUYOU-UHFFFAOYSA-N 1 0 377.916 3.543 20 30 GHEDRO COc1ccc(C#N)cc1Nc1ccc(N2CCC([NH+](C)C)CC2)cc1OC ZINC001201591331 875771476 /nfs/dbraw/zinc/77/14/76/875771476.db2.gz JLQSFLMHGXTDAU-UHFFFAOYSA-N 1 0 380.492 3.849 20 30 GHEDRO COCc1ccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1C#N ZINC000529209505 875832394 /nfs/dbraw/zinc/83/23/94/875832394.db2.gz HYNBQGPHEDATPS-SFHVURJKSA-N 1 0 392.503 3.833 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1C#N ZINC000529212748 875837686 /nfs/dbraw/zinc/83/76/86/875837686.db2.gz UBNLMAAETOPGCA-UHFFFAOYSA-N 1 0 392.503 3.753 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001201776319 875874918 /nfs/dbraw/zinc/87/49/18/875874918.db2.gz BQRBHOFPTSDDAP-QYZOEREBSA-N 1 0 388.585 3.674 20 30 GHEDRO CCCCCCCCCC[NH+]1CCC2(CC1)COCCN(S(C)(=O)=O)C2 ZINC001201874635 875918529 /nfs/dbraw/zinc/91/85/29/875918529.db2.gz BFVDEHGTQUFWOR-UHFFFAOYSA-N 1 0 388.618 3.501 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)c1 ZINC001202415032 876186022 /nfs/dbraw/zinc/18/60/22/876186022.db2.gz HDURRZNUANNSTC-IBGZPJMESA-N 1 0 381.442 3.820 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1OCCCC#N ZINC000492207367 876434071 /nfs/dbraw/zinc/43/40/71/876434071.db2.gz FMURGFLQILDZFQ-GOSISDBHSA-N 1 0 383.467 3.885 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)cc1C#N ZINC000786104540 876447579 /nfs/dbraw/zinc/44/75/79/876447579.db2.gz IUXUTSFESHJIJC-UHFFFAOYSA-N 1 0 393.487 3.705 20 30 GHEDRO CC(C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCOCC1 ZINC000786147728 876475827 /nfs/dbraw/zinc/47/58/27/876475827.db2.gz BMNYRBQPOJPIDO-UHFFFAOYSA-N 1 0 375.538 3.622 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Br)cc3O)CCOCC2)cc1 ZINC000529674216 876505505 /nfs/dbraw/zinc/50/55/05/876505505.db2.gz JYKPNHXTZQZVMB-UHFFFAOYSA-N 1 0 387.277 3.822 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C#N)c1Br ZINC000450638887 876719850 /nfs/dbraw/zinc/71/98/50/876719850.db2.gz UQLMYYJCMGGNEG-RDTXWAMCSA-N 1 0 398.304 3.571 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)([NH+](C)C)C1 ZINC000609211407 883058022 /nfs/dbraw/zinc/05/80/22/883058022.db2.gz DEXGJNJWNSRIPR-MBSDFSHPSA-N 1 0 398.551 3.622 20 30 GHEDRO C=CCOc1ccc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000537662033 883059142 /nfs/dbraw/zinc/05/91/42/883059142.db2.gz XZJWLCBREWLCKL-IBGZPJMESA-N 1 0 377.960 3.505 20 30 GHEDRO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)n2)c1 ZINC000537662824 883061660 /nfs/dbraw/zinc/06/16/60/883061660.db2.gz GQFGWGNKOJLEMP-JOCHJYFZSA-N 1 0 399.498 3.619 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3nc(C)cc(C)c3C#N)CC2)cc1 ZINC000450787480 876891532 /nfs/dbraw/zinc/89/15/32/876891532.db2.gz SBVUHYQFQLSIID-UHFFFAOYSA-N 1 0 377.492 3.605 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2ccc(Cl)nc2C(F)(F)F)cc1 ZINC000786747370 876899899 /nfs/dbraw/zinc/89/98/99/876899899.db2.gz WBFQBRXZNJFVHR-UHFFFAOYSA-N 1 0 386.805 3.653 20 30 GHEDRO N#CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)cc1 ZINC000850475584 876953711 /nfs/dbraw/zinc/95/37/11/876953711.db2.gz AEJPHIXKVZMMLB-LJQANCHMSA-N 1 0 387.405 3.878 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccccc1 ZINC000804603208 883091766 /nfs/dbraw/zinc/09/17/66/883091766.db2.gz BPRRLVAHBXVUBC-UHFFFAOYSA-O 1 0 380.415 3.765 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000850723361 877127084 /nfs/dbraw/zinc/12/70/84/877127084.db2.gz NHKQVXRUDXGTTR-LTVLFBMZSA-N 1 0 392.499 3.617 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000544575202 877167691 /nfs/dbraw/zinc/16/76/91/877167691.db2.gz YYQCNHIZBCUAKK-FGZHOGPDSA-N 1 0 398.528 3.620 20 30 GHEDRO N#Cc1ccc(Nc2cccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)c2)cc1 ZINC000609994020 877264471 /nfs/dbraw/zinc/26/44/71/877264471.db2.gz KKLQLQNUVGIHLV-UHFFFAOYSA-N 1 0 380.411 3.557 20 30 GHEDRO CCCCCCCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109649923 877308530 /nfs/dbraw/zinc/30/85/30/877308530.db2.gz OEJGWEJZVUFCPN-NRFANRHFSA-N 1 0 386.584 3.803 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@](C)(F)C2)c1C#N ZINC000451119619 877385652 /nfs/dbraw/zinc/38/56/52/877385652.db2.gz HCNYTVXGWCZCPY-OAQYLSRUSA-N 1 0 386.471 3.771 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1 ZINC000787403146 877396556 /nfs/dbraw/zinc/39/65/56/877396556.db2.gz YUNMGZOZQKEREA-FQEVSTJZSA-N 1 0 388.475 3.744 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2ccc([N+](=O)[O-])cc2OC)c1C ZINC000746682117 877409758 /nfs/dbraw/zinc/40/97/58/877409758.db2.gz QCKZAUIIQNCSTD-LJQANCHMSA-N 1 0 399.495 3.952 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCOC2)O1 ZINC000530281408 877443254 /nfs/dbraw/zinc/44/32/54/877443254.db2.gz VKJGKDDPLQSVQF-MBSDFSHPSA-N 1 0 378.472 3.517 20 30 GHEDRO C[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1Cc1ccccc1 ZINC000551601122 877521107 /nfs/dbraw/zinc/52/11/07/877521107.db2.gz DMGHCZRWZYOETK-XMMPIXPASA-N 1 0 399.542 3.822 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCc4cc(F)ccc4C3)CC2)cc1 ZINC001168446416 877669474 /nfs/dbraw/zinc/66/94/74/877669474.db2.gz PUKJACQANRHKCJ-QFIPXVFZSA-N 1 0 392.478 3.841 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CCCOc2cccc(C#N)c2)C1 ZINC000787994607 877764090 /nfs/dbraw/zinc/76/40/90/877764090.db2.gz HZNZYGHLJLKUFH-QFIPXVFZSA-N 1 0 385.508 3.803 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)cc1 ZINC000451349741 877802117 /nfs/dbraw/zinc/80/21/17/877802117.db2.gz BSDYYSASJUQAOZ-IBGZPJMESA-N 1 0 392.883 3.865 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551805526 877822839 /nfs/dbraw/zinc/82/28/39/877822839.db2.gz ACFSHIHFTQQNJM-QGZVFWFLSA-N 1 0 397.544 3.929 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC000477598981 877886452 /nfs/dbraw/zinc/88/64/52/877886452.db2.gz GXARNPNKWSBDOR-MCSCQSGASA-N 1 0 399.535 3.850 20 30 GHEDRO C#CCC1(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCCCC1 ZINC000788204358 877911564 /nfs/dbraw/zinc/91/15/64/877911564.db2.gz DPYYAOSFPZXHFE-UHFFFAOYSA-N 1 0 385.527 3.558 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)cc1C#N ZINC000746740308 877998560 /nfs/dbraw/zinc/99/85/60/877998560.db2.gz FITVZZVOKQZCPN-QGZVFWFLSA-N 1 0 386.293 3.698 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460550722 878161353 /nfs/dbraw/zinc/16/13/53/878161353.db2.gz SWHJSOJXZLBBDI-LJQANCHMSA-N 1 0 388.519 3.627 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460552685 878164406 /nfs/dbraw/zinc/16/44/06/878164406.db2.gz WICRCPSWDRFSJK-UHFFFAOYSA-N 1 0 383.540 3.528 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](CCCSCC#N)CC2)C1 ZINC000852293414 878204331 /nfs/dbraw/zinc/20/43/31/878204331.db2.gz NTLKEXFONZJPAJ-SFHVURJKSA-N 1 0 381.586 3.992 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](Cc3ccnc(C#N)c3)CC2)C1 ZINC000852295616 878205030 /nfs/dbraw/zinc/20/50/30/878205030.db2.gz BMXLKYKOPBMPMC-IBGZPJMESA-N 1 0 384.524 3.812 20 30 GHEDRO Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(C[NH+](C)C)c1 ZINC000285539660 912329910 /nfs/dbraw/zinc/32/99/10/912329910.db2.gz PVSHYGGWGMEUDZ-UHFFFAOYSA-N 1 0 394.494 3.923 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000451678669 878300307 /nfs/dbraw/zinc/30/03/07/878300307.db2.gz FKMUZXSGQHZJNJ-UXHICEINSA-N 1 0 384.524 3.744 20 30 GHEDRO CC(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccnn1C ZINC000615943466 878301444 /nfs/dbraw/zinc/30/14/44/878301444.db2.gz NAWFFPCDADUJFE-FQEVSTJZSA-N 1 0 376.508 3.727 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1 ZINC000852472871 878349894 /nfs/dbraw/zinc/34/98/94/878349894.db2.gz HGCYNIMPMWFAPX-MAUKXSAKSA-N 1 0 397.416 3.853 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(F)c1 ZINC000852474175 878356356 /nfs/dbraw/zinc/35/63/56/878356356.db2.gz UDYXHDQTEKPLCI-SJLPKXTDSA-N 1 0 397.416 3.853 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000180071672 878466323 /nfs/dbraw/zinc/46/63/23/878466323.db2.gz CHNBZSVRJKCDTO-HKUYNNGSSA-N 1 0 378.476 3.764 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000852686433 878523158 /nfs/dbraw/zinc/52/31/58/878523158.db2.gz VHFIABBICXITKN-OKZBNKHCSA-N 1 0 393.487 3.720 20 30 GHEDRO CC(C)[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H](O)c1ccc(Cl)cc1 ZINC000852731297 878559299 /nfs/dbraw/zinc/55/92/99/878559299.db2.gz WOTPDCWEXQQEHF-PCCBWWKXSA-N 1 0 397.906 3.665 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1 ZINC000068462063 878567505 /nfs/dbraw/zinc/56/75/05/878567505.db2.gz XWNASAGPUPEAQI-UHFFFAOYSA-N 1 0 376.500 3.730 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)CC1 ZINC000177247732 878618837 /nfs/dbraw/zinc/61/88/37/878618837.db2.gz SRMHAYXNGJRWAY-OAHLLOKOSA-N 1 0 375.488 3.625 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000538046416 878756743 /nfs/dbraw/zinc/75/67/43/878756743.db2.gz ZPDKFFBMPHOQTD-UHFFFAOYSA-N 1 0 375.476 3.608 20 30 GHEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000530912989 878764306 /nfs/dbraw/zinc/76/43/06/878764306.db2.gz NBYDXNHGHVGPIJ-UHFFFAOYSA-N 1 0 384.483 3.728 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1c1ccccc1 ZINC000452001055 878833693 /nfs/dbraw/zinc/83/36/93/878833693.db2.gz FIBRFACKGQWZSD-MSOLQXFVSA-N 1 0 386.398 3.548 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000538152227 878921955 /nfs/dbraw/zinc/92/19/55/878921955.db2.gz VCFXNYVURSPRMJ-NRFANRHFSA-N 1 0 395.478 3.939 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001183293836 912400869 /nfs/dbraw/zinc/40/08/69/912400869.db2.gz UOLFQZUMDMWKEZ-UHFFFAOYSA-N 1 0 385.511 3.639 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1ccccc1 ZINC000068866005 879105229 /nfs/dbraw/zinc/10/52/29/879105229.db2.gz NSJCIZLVJAQTHM-ZDUSSCGKSA-O 1 0 379.452 3.902 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000068883567 879138444 /nfs/dbraw/zinc/13/84/44/879138444.db2.gz VNHNLNGAJKHQLU-HXUWFJFHSA-N 1 0 394.475 3.567 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000795694694 912433940 /nfs/dbraw/zinc/43/39/40/912433940.db2.gz QFQVCTJSFDWVFZ-VJBWXMMDSA-N 1 0 399.498 3.587 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2)CC1 ZINC000180774536 879315782 /nfs/dbraw/zinc/31/57/82/879315782.db2.gz QXAJJKOUXIBYNY-IBGZPJMESA-N 1 0 387.487 3.583 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1 ZINC000493366429 879385523 /nfs/dbraw/zinc/38/55/23/879385523.db2.gz CWDMCXVKLDRFMN-UZLBHIALSA-N 1 0 377.513 3.876 20 30 GHEDRO Cc1ccc(C)c([C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccccc2)c1 ZINC000180898277 879466173 /nfs/dbraw/zinc/46/61/73/879466173.db2.gz HENHOSHAZOSCHV-XSSWQJIQSA-N 1 0 375.472 3.509 20 30 GHEDRO COCCN(C)c1ccc(C=[NH+][N-]c2ccc(F)cc2Br)cn1 ZINC000790154898 879494498 /nfs/dbraw/zinc/49/44/98/879494498.db2.gz YZNHLDQCJZXXNJ-UHFFFAOYSA-N 1 0 381.249 3.512 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000152646518 879516193 /nfs/dbraw/zinc/51/61/93/879516193.db2.gz MKLUKFRCBHWMFN-GFCCVEGCSA-N 1 0 376.359 3.597 20 30 GHEDRO C=CCNC(=O)c1cccc(-c2noc(-c3ccc4c(c3)[C@H](C[NH3+])CCC4)n2)c1 ZINC000854138740 879576531 /nfs/dbraw/zinc/57/65/31/879576531.db2.gz SCSXBEZDNXTSIW-IBGZPJMESA-N 1 0 388.471 3.698 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](c3ccccc3)C3CCOCC3)C2=O)cc1 ZINC000790325873 879598692 /nfs/dbraw/zinc/59/86/92/879598692.db2.gz YJJONZSLCKSFLI-DHIUTWEWSA-N 1 0 389.499 3.811 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1C#N ZINC000531374560 879728102 /nfs/dbraw/zinc/72/81/02/879728102.db2.gz OFQCGCBRGQHXBZ-UHFFFAOYSA-N 1 0 384.549 3.689 20 30 GHEDRO N#Cc1cccc(CC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000531395977 879736813 /nfs/dbraw/zinc/73/68/13/879736813.db2.gz SANWITJWXGNQAT-UHFFFAOYSA-N 1 0 390.487 3.554 20 30 GHEDRO N#CCc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000452649285 879806639 /nfs/dbraw/zinc/80/66/39/879806639.db2.gz WLHQICCJRGJFLH-UHFFFAOYSA-N 1 0 382.895 3.557 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493985683 879818438 /nfs/dbraw/zinc/81/84/38/879818438.db2.gz OIWSNBOSFZVLRG-MJGOQNOKSA-N 1 0 375.806 3.551 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC000139953164 879845039 /nfs/dbraw/zinc/84/50/39/879845039.db2.gz NLRQBYMWLFMGLJ-HXUWFJFHSA-N 1 0 395.551 3.787 20 30 GHEDRO C=CCSCC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000494048816 879854405 /nfs/dbraw/zinc/85/44/05/879854405.db2.gz MBRJRSWCQNXLCF-FQEVSTJZSA-N 1 0 375.559 3.997 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000152891614 879896078 /nfs/dbraw/zinc/89/60/78/879896078.db2.gz HFHUOGBMKUTHTN-UHFFFAOYSA-N 1 0 386.540 3.962 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@@H](C)C1 ZINC000247272781 879959739 /nfs/dbraw/zinc/95/97/39/879959739.db2.gz WMJHCWJEFLSLDV-LNLFQRSKSA-N 1 0 388.581 3.681 20 30 GHEDRO C=CCOc1cccc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000069296532 880082788 /nfs/dbraw/zinc/08/27/88/880082788.db2.gz DTVWIRPPDZRFOX-QZTJIDSGSA-N 1 0 387.524 3.605 20 30 GHEDRO N#CCn1c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc2ccccc21 ZINC000609170479 880133521 /nfs/dbraw/zinc/13/35/21/880133521.db2.gz UCFFTPPSJGQCQC-UHFFFAOYSA-N 1 0 390.512 3.966 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCSC[C@H]1c1nccs1)C(C)C ZINC000185156642 880492438 /nfs/dbraw/zinc/49/24/38/880492438.db2.gz KQNMIHVFRQKHLL-IRXDYDNUSA-N 1 0 394.610 3.641 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(OC)cc3c2O[C@@H](C)C3)ccc1OC ZINC000113348142 880521588 /nfs/dbraw/zinc/52/15/88/880521588.db2.gz DWAAQWXFJAQFKX-HNAYVOBHSA-N 1 0 396.487 3.998 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000113357775 880521863 /nfs/dbraw/zinc/52/18/63/880521863.db2.gz BLNNCIPDPKNKPB-DLBZAZTESA-N 1 0 397.494 3.928 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccccc1CC#N ZINC000776821303 880603068 /nfs/dbraw/zinc/60/30/68/880603068.db2.gz WTLMBJGLNPLMOR-LJQANCHMSA-N 1 0 375.516 3.986 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000113569981 880679413 /nfs/dbraw/zinc/67/94/13/880679413.db2.gz FVAPHAIODXIZAD-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000453416136 880882595 /nfs/dbraw/zinc/88/25/95/880882595.db2.gz USHAQLHJAJCFKV-ZJOUEHCJSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453439257 880901242 /nfs/dbraw/zinc/90/12/42/880901242.db2.gz KJKDLEWBVWJCFK-IRXDYDNUSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCn1c(N(C)C2CC[NH+](Cc3ccccc3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453443081 880906909 /nfs/dbraw/zinc/90/69/09/880906909.db2.gz QGCNYEFVHYDLRS-HSZRJFAPSA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000453433926 880940243 /nfs/dbraw/zinc/94/02/43/880940243.db2.gz DUTZTWSRAKEGBE-ZCNNSNEGSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000453467829 880973109 /nfs/dbraw/zinc/97/31/09/880973109.db2.gz RXYRPWJYBWHTPL-FQEVSTJZSA-N 1 0 387.572 3.798 20 30 GHEDRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000792229983 880992104 /nfs/dbraw/zinc/99/21/04/880992104.db2.gz AFXRIZCUTJMSLW-FCHUYYIVSA-N 1 0 376.504 3.853 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000113970751 881019055 /nfs/dbraw/zinc/01/90/55/881019055.db2.gz XTDXNCLBSTXERG-ICSRJNTNSA-N 1 0 386.540 3.821 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)CC2)c1 ZINC000556944156 881137937 /nfs/dbraw/zinc/13/79/37/881137937.db2.gz ZFOCEWPBRJTKJO-UHFFFAOYSA-N 1 0 383.511 3.844 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000499107761 881151558 /nfs/dbraw/zinc/15/15/58/881151558.db2.gz VPAYKRQUYXGKTJ-XMSQKQJNSA-N 1 0 388.515 3.757 20 30 GHEDRO C=CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000187384119 881174331 /nfs/dbraw/zinc/17/43/31/881174331.db2.gz GFSJSCPPEJYDHB-UNMCSNQZSA-N 1 0 391.515 3.682 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)ccc1OC ZINC000057959753 881208190 /nfs/dbraw/zinc/20/81/90/881208190.db2.gz RONORIOUOMFNOC-UHFFFAOYSA-N 1 0 396.531 3.772 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134932447 883118579 /nfs/dbraw/zinc/11/85/79/883118579.db2.gz HRPMDDBUQKNFIK-WAOWUJCRSA-N 1 0 387.593 3.600 20 30 GHEDRO CCCCCCCNC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000858517854 883167899 /nfs/dbraw/zinc/16/78/99/883167899.db2.gz XGHSLSDIAJREHK-UHFFFAOYSA-N 1 0 388.556 3.879 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000476807433 883218094 /nfs/dbraw/zinc/21/80/94/883218094.db2.gz QJQVINYRNBQZDI-UXHICEINSA-N 1 0 397.563 3.810 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1ccc(F)cc1 ZINC000858649662 883254355 /nfs/dbraw/zinc/25/43/55/883254355.db2.gz BGJLOESPOKROSR-OAQYLSRUSA-N 1 0 379.479 3.928 20 30 GHEDRO C[C@@H](C(=O)NCc1ccc(C#N)cc1F)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000609518509 883293065 /nfs/dbraw/zinc/29/30/65/883293065.db2.gz DNGSHKLLNKKASD-KRWDZBQOSA-N 1 0 379.479 3.657 20 30 GHEDRO CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609509249 883305475 /nfs/dbraw/zinc/30/54/75/883305475.db2.gz LZXAIODCACDIIO-QGZVFWFLSA-N 1 0 379.435 3.798 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000184313851 883342653 /nfs/dbraw/zinc/34/26/53/883342653.db2.gz RHIWHTHNPFUWMJ-MRXNPFEDSA-N 1 0 396.466 3.903 20 30 GHEDRO C[N@H+](CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Cc1ccccc1 ZINC000609643048 883474651 /nfs/dbraw/zinc/47/46/51/883474651.db2.gz DHKRPUSUYYYJCT-UHFFFAOYSA-N 1 0 399.494 3.999 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747226247 883557278 /nfs/dbraw/zinc/55/72/78/883557278.db2.gz JETIVLQVDQYCLS-QFIPXVFZSA-N 1 0 376.460 3.959 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000136170740 883725032 /nfs/dbraw/zinc/72/50/32/883725032.db2.gz GMFCXHUOQKYPLU-UNMCSNQZSA-N 1 0 394.494 3.869 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598396982 883755507 /nfs/dbraw/zinc/75/55/07/883755507.db2.gz QUCDIYCAHSLEEU-GOSISDBHSA-N 1 0 377.463 3.729 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc1 ZINC000859420794 883807044 /nfs/dbraw/zinc/80/70/44/883807044.db2.gz YNGNLSSVEQIVKU-NRFANRHFSA-N 1 0 394.519 3.977 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](c1cccnc1)C1CC1)CCCC2 ZINC000542516613 884058922 /nfs/dbraw/zinc/05/89/22/884058922.db2.gz SOHMWUWSTFVCSS-HXUWFJFHSA-N 1 0 380.517 3.963 20 30 GHEDRO CC1(C)[C@@H](c2cccc(F)c2)CCN1Cc1nc2ccccc2c(=O)n1CC#N ZINC000859859332 884129573 /nfs/dbraw/zinc/12/95/73/884129573.db2.gz HGZGPGFSASIZMN-LJQANCHMSA-N 1 0 390.462 3.827 20 30 GHEDRO C[C@H]1CCc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000476159302 884166003 /nfs/dbraw/zinc/16/60/03/884166003.db2.gz MUIIHVIDSFRWGU-MBSDFSHPSA-N 1 0 390.531 3.955 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)ccc3O)CC2)C1=O ZINC001275242208 912802621 /nfs/dbraw/zinc/80/26/21/912802621.db2.gz SCWLXBQQBKVYQF-IBGZPJMESA-N 1 0 393.325 3.545 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000747287825 884271152 /nfs/dbraw/zinc/27/11/52/884271152.db2.gz BBAZZCZKVBPEBR-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)cc(OC)c1OC ZINC000806145723 884405070 /nfs/dbraw/zinc/40/50/70/884405070.db2.gz MKZFWAVKZSUIOS-INIZCTEOSA-N 1 0 378.476 3.864 20 30 GHEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000897704155 884416513 /nfs/dbraw/zinc/41/65/13/884416513.db2.gz XUQDFQNIOLBISE-QGZVFWFLSA-N 1 0 379.545 3.807 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)nc2)CC1 ZINC000476335260 884429740 /nfs/dbraw/zinc/42/97/40/884429740.db2.gz KRSSBJYDEKSQOP-LJQANCHMSA-N 1 0 391.519 3.638 20 30 GHEDRO N#CCCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183793520 912824516 /nfs/dbraw/zinc/82/45/16/912824516.db2.gz DIFBCNJGJRSBFI-YADHBBJMSA-N 1 0 379.479 3.851 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000102802535 884464835 /nfs/dbraw/zinc/46/48/35/884464835.db2.gz KIDQSEHLLPFGEP-UHFFFAOYSA-N 1 0 392.450 3.936 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495070955 884481585 /nfs/dbraw/zinc/48/15/85/884481585.db2.gz WVJJGFNOEDBFDL-AVRDEDQJSA-N 1 0 387.545 3.516 20 30 GHEDRO Cc1nc(-c2ccccc2)ncc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000153213537 884538231 /nfs/dbraw/zinc/53/82/31/884538231.db2.gz USNLDLHKLJTOKH-UHFFFAOYSA-N 1 0 399.498 3.528 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000806310003 884554196 /nfs/dbraw/zinc/55/41/96/884554196.db2.gz OQLJZDBHTWLIIM-UXHICEINSA-N 1 0 381.545 3.819 20 30 GHEDRO C[NH+]1CCC(CNC(=S)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000760504774 884613004 /nfs/dbraw/zinc/61/30/04/884613004.db2.gz WGMDVLPOUPQHFN-UHFFFAOYSA-N 1 0 378.545 3.531 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@@H]1C ZINC000498500667 884642292 /nfs/dbraw/zinc/64/22/92/884642292.db2.gz KIQBKVSTJLYDAS-GJZGRUSLSA-N 1 0 383.521 3.552 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000498515646 884684146 /nfs/dbraw/zinc/68/41/46/884684146.db2.gz JIBDHIVBXPXHIX-KDURUIRLSA-N 1 0 375.516 3.895 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1C#N ZINC000154873375 884727856 /nfs/dbraw/zinc/72/78/56/884727856.db2.gz FRSTUDUSAVTUSU-UHFFFAOYSA-N 1 0 384.549 3.643 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H]1C ZINC000498570599 884896778 /nfs/dbraw/zinc/89/67/78/884896778.db2.gz GZLSTFPMLHEZIQ-MSOLQXFVSA-N 1 0 377.488 3.692 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000806808701 885008368 /nfs/dbraw/zinc/00/83/68/885008368.db2.gz LJOIXVVQUYDRPN-UCNVEGJOSA-N 1 0 394.519 3.858 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000806917277 885087571 /nfs/dbraw/zinc/08/75/71/885087571.db2.gz IDIMSCQZZSJQML-REWPJTCUSA-N 1 0 375.516 3.742 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)ccc21 ZINC000455876897 885235490 /nfs/dbraw/zinc/23/54/90/885235490.db2.gz BPBFRKFOBZNZSU-VXKWHMMOSA-N 1 0 390.487 3.713 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000495339711 885330638 /nfs/dbraw/zinc/33/06/38/885330638.db2.gz BESDDFLQWLKOEP-QGZVFWFLSA-N 1 0 381.476 3.725 20 30 GHEDRO C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001168486345 885376594 /nfs/dbraw/zinc/37/65/94/885376594.db2.gz LKLKTIRLWWRACR-HXOBKFHXSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000537560132 885397307 /nfs/dbraw/zinc/39/73/07/885397307.db2.gz BCCOYGXUNQIMTH-CVDCTZTESA-N 1 0 383.536 3.643 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000807466608 885461782 /nfs/dbraw/zinc/46/17/82/885461782.db2.gz DLCZCDXERZWQOV-GOTSBHOMSA-N 1 0 381.564 3.775 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807466759 885461812 /nfs/dbraw/zinc/46/18/12/885461812.db2.gz FICBKWMRAKRYLM-DHIUTWEWSA-N 1 0 375.516 3.537 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Cl)c(OCCCC)c(OC)c2)CC1 ZINC000747404781 885542636 /nfs/dbraw/zinc/54/26/36/885542636.db2.gz QBRCEEURSMAYFP-UHFFFAOYSA-N 1 0 392.927 3.745 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000508888212 885614772 /nfs/dbraw/zinc/61/47/72/885614772.db2.gz MNFMAXPTZYAMLI-UHFFFAOYSA-N 1 0 390.535 3.703 20 30 GHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000556598897 885634168 /nfs/dbraw/zinc/63/41/68/885634168.db2.gz DIORYQMGYYLXOJ-GFCCVEGCSA-N 1 0 385.265 3.828 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2 ZINC000609296719 885645461 /nfs/dbraw/zinc/64/54/61/885645461.db2.gz RRMVHYBXFJOASH-JOCHJYFZSA-N 1 0 376.504 3.627 20 30 GHEDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC#N)c3)c2C1 ZINC000454026285 885697359 /nfs/dbraw/zinc/69/73/59/885697359.db2.gz KECZLBROOFKRHQ-MRXNPFEDSA-N 1 0 390.487 3.690 20 30 GHEDRO Cc1nc(SCC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c(C#N)c(C)c1C ZINC000843786036 885702294 /nfs/dbraw/zinc/70/22/94/885702294.db2.gz UEOBXODFNXQKEB-UHFFFAOYSA-N 1 0 396.560 3.691 20 30 GHEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000495437292 885801163 /nfs/dbraw/zinc/80/11/63/885801163.db2.gz BBEVSZCIVLFDPS-UXPWSPDFSA-N 1 0 379.508 3.733 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000556692649 885884533 /nfs/dbraw/zinc/88/45/33/885884533.db2.gz LCRASDSXHNDIOV-OALUTQOASA-N 1 0 375.497 3.909 20 30 GHEDRO C=C[C@@H](CC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000533923543 885994480 /nfs/dbraw/zinc/99/44/80/885994480.db2.gz GJBLBOMSHYAWOI-NRFANRHFSA-N 1 0 391.559 3.800 20 30 GHEDRO CCc1noc(C2CCC([NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)CC2)n1 ZINC000498933130 886109768 /nfs/dbraw/zinc/10/97/68/886109768.db2.gz KKYBYTOEMPOCSR-DAWZGUTISA-N 1 0 397.498 3.928 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](C)S[C@@H](C)C3)sc2C1 ZINC000532579907 886113531 /nfs/dbraw/zinc/11/35/31/886113531.db2.gz OTLWTGFVBUSBMT-MCIONIFRSA-N 1 0 377.579 3.899 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000532566772 886121257 /nfs/dbraw/zinc/12/12/57/886121257.db2.gz GUOFQXHQYWMYSO-OAHLLOKOSA-N 1 0 382.357 3.537 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCOc2ncccc2F)c1 ZINC000532617851 886516730 /nfs/dbraw/zinc/51/67/30/886516730.db2.gz ORTCUGOESRZKGA-UHFFFAOYSA-N 1 0 377.419 3.840 20 30 GHEDRO C[NH+]=C(NCc1ccc(C)nc1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000153596485 886539882 /nfs/dbraw/zinc/53/98/82/886539882.db2.gz GYBUELOSLUKIEJ-SFHVURJKSA-N 1 0 392.425 3.558 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000862690983 886542333 /nfs/dbraw/zinc/54/23/33/886542333.db2.gz ODMXAVGXFPLAAT-IBGZPJMESA-N 1 0 382.895 3.589 20 30 GHEDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000487965821 886577889 /nfs/dbraw/zinc/57/78/89/886577889.db2.gz GWNIOGYYYZKDSR-FGTMMUONSA-N 1 0 381.501 3.561 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000808713469 886696938 /nfs/dbraw/zinc/69/69/38/886696938.db2.gz NJFFHTGBKFCHPY-JIIJFUIFSA-N 1 0 379.460 3.570 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000287064828 913073627 /nfs/dbraw/zinc/07/36/27/913073627.db2.gz POJMZZXKABTEBF-NQIIRXRSSA-N 1 0 396.535 3.591 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c(OC)c1 ZINC000863301524 887014703 /nfs/dbraw/zinc/01/47/03/887014703.db2.gz DZHIKUYNDDXLQI-YJBOKZPZSA-N 1 0 375.509 3.929 20 30 GHEDRO N#CCOc1cccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000287108928 913107230 /nfs/dbraw/zinc/10/72/30/913107230.db2.gz SYHVKAFAMOOLNC-QHCPKHFHSA-N 1 0 390.487 3.719 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000188718142 887081928 /nfs/dbraw/zinc/08/19/28/887081928.db2.gz LLBGXLQDBSIGJK-UHFFFAOYSA-N 1 0 393.491 3.682 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000119475143 887121396 /nfs/dbraw/zinc/12/13/96/887121396.db2.gz GDXYOUZLKUHXFA-UGKGYDQZSA-N 1 0 376.500 3.583 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1=S ZINC000153644058 887202272 /nfs/dbraw/zinc/20/22/72/887202272.db2.gz GGVPNVBPJPWPBV-SFHVURJKSA-N 1 0 389.544 3.636 20 30 GHEDRO C#Cc1ccc(C[NH2+]CCCCCc2nc(-c3ccc(O)c(OC)c3)no2)cc1 ZINC000809617803 887591282 /nfs/dbraw/zinc/59/12/82/887591282.db2.gz BAHJBOWXOVOPAE-UHFFFAOYSA-N 1 0 391.471 3.935 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[N@@H+](Cc1ccccc1F)C1CCCCC1)cc2=O ZINC001168263972 887701419 /nfs/dbraw/zinc/70/14/19/887701419.db2.gz FWGZTTLKGGEALP-UHFFFAOYSA-N 1 0 379.439 3.781 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N ZINC000809770851 887761245 /nfs/dbraw/zinc/76/12/45/887761245.db2.gz IANUGNZRVPANMS-QFIPXVFZSA-N 1 0 385.508 3.790 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000454262775 887843232 /nfs/dbraw/zinc/84/32/32/887843232.db2.gz JHMQMGSNAAKUNX-UHFFFAOYSA-N 1 0 394.494 3.929 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000194256132 888172541 /nfs/dbraw/zinc/17/25/41/888172541.db2.gz DHTMNWDIHWSQQU-UHFFFAOYSA-N 1 0 387.487 3.753 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC000810132720 888200448 /nfs/dbraw/zinc/20/04/48/888200448.db2.gz UQANOMATYSSAKC-SFHVURJKSA-N 1 0 396.535 3.539 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccccc3CC#N)cc2F)CC1 ZINC000865152919 888222969 /nfs/dbraw/zinc/22/29/69/888222969.db2.gz UVCIEWLGMUEJOL-UHFFFAOYSA-N 1 0 380.467 3.674 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)c1ccccc1OCC#N)c1ccc(Cl)c(Cl)c1 ZINC001132175628 888333828 /nfs/dbraw/zinc/33/38/28/888333828.db2.gz HRONBLSSCZOOOE-QGZVFWFLSA-N 1 0 392.286 3.928 20 30 GHEDRO COc1nc2ccccc2cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000536632216 888373979 /nfs/dbraw/zinc/37/39/79/888373979.db2.gz OTZJHDZUBIVDIE-UHFFFAOYSA-N 1 0 386.499 3.823 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)c(F)c1 ZINC000609239738 888471208 /nfs/dbraw/zinc/47/12/08/888471208.db2.gz ZCUGQXQSVJRIHA-UHFFFAOYSA-N 1 0 380.467 3.683 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000865696331 888521029 /nfs/dbraw/zinc/52/10/29/888521029.db2.gz ZGJFVQWSCKSBIE-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO O=[N+]([O-])c1ccc(N=NC2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000915932906 888577431 /nfs/dbraw/zinc/57/74/31/888577431.db2.gz FBPGZCMALCSQSZ-UHFFFAOYSA-N 1 0 383.408 3.609 20 30 GHEDRO FCC[C@@H]1CCCC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000794871315 888598877 /nfs/dbraw/zinc/59/88/77/888598877.db2.gz XJISFVYEPQTEOS-KRWDZBQOSA-N 1 0 376.545 3.631 20 30 GHEDRO CC(=[NH+]NCc1cccc2cccnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000915962316 888603078 /nfs/dbraw/zinc/60/30/78/888603078.db2.gz GWAUSEDLHSZZHP-UHFFFAOYSA-N 1 0 378.451 3.724 20 30 GHEDRO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NCc1ccc(Br)cc1 ZINC000794902685 888757125 /nfs/dbraw/zinc/75/71/25/888757125.db2.gz SILUKDGMZRFSSX-UHFFFAOYSA-N 1 0 384.281 3.649 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc3cnn(C)c3c2)no1 ZINC001211975614 888772918 /nfs/dbraw/zinc/77/29/18/888772918.db2.gz MEMZDKXSCDINEZ-HKUYNNGSSA-N 1 0 383.496 3.701 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(OC)ccc2OC)no1 ZINC001211975742 888774053 /nfs/dbraw/zinc/77/40/53/888774053.db2.gz OWOPZQQJCGUEBK-QAPCUYQASA-N 1 0 389.496 3.832 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC)c(F)c2)no1 ZINC001211976002 888783672 /nfs/dbraw/zinc/78/36/72/888783672.db2.gz WRDARUNQAPZRQR-WBVHZDCISA-N 1 0 377.460 3.962 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCc3ccc(C#N)cc3F)c2)CC1 ZINC000609240576 888838820 /nfs/dbraw/zinc/83/88/20/888838820.db2.gz TXIOZYHBBVWGGH-UHFFFAOYSA-N 1 0 394.494 3.929 20 30 GHEDRO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)s1 ZINC000866448772 888883402 /nfs/dbraw/zinc/88/34/02/888883402.db2.gz LOGFRYRPROKLHN-OAHLLOKOSA-N 1 0 384.549 3.832 20 30 GHEDRO CSc1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000916306992 888908522 /nfs/dbraw/zinc/90/85/22/888908522.db2.gz LIXAXFPHVBIIAU-UHFFFAOYSA-N 1 0 398.601 3.871 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000810840473 888929706 /nfs/dbraw/zinc/92/97/06/888929706.db2.gz GROGWOYCQHGLIK-IFMALSPDSA-N 1 0 376.456 3.921 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000810991727 889081792 /nfs/dbraw/zinc/08/17/92/889081792.db2.gz AGRFDDJBUJIXPS-LJQANCHMSA-N 1 0 389.862 3.548 20 30 GHEDRO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OCCCC#N ZINC000245686209 889225944 /nfs/dbraw/zinc/22/59/44/889225944.db2.gz AIKRRADRKLQLCD-PZJWPPBQSA-N 1 0 383.536 3.826 20 30 GHEDRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867941857 889231695 /nfs/dbraw/zinc/23/16/95/889231695.db2.gz KONZFHMJKYINLD-DJJJIMSYSA-N 1 0 376.485 3.574 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000454549867 889259826 /nfs/dbraw/zinc/25/98/26/889259826.db2.gz QTPXJOIVVFLKDJ-INIZCTEOSA-N 1 0 392.341 3.598 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000532922313 889337508 /nfs/dbraw/zinc/33/75/08/889337508.db2.gz HHJMICBGQWGPOW-UHFFFAOYSA-N 1 0 383.517 3.999 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000454695270 889535201 /nfs/dbraw/zinc/53/52/01/889535201.db2.gz OLTIFAIHTPASPA-LJQANCHMSA-N 1 0 378.476 3.519 20 30 GHEDRO N#CCSCCC[NH+]1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795035782 889577679 /nfs/dbraw/zinc/57/76/79/889577679.db2.gz XKXBBVGYYFOUES-PMACEKPBSA-N 1 0 387.549 3.660 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 ZINC000063526218 889643667 /nfs/dbraw/zinc/64/36/67/889643667.db2.gz QBTNIEZFNTZTHR-UHFFFAOYSA-N 1 0 388.533 3.570 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC000811500487 889650822 /nfs/dbraw/zinc/65/08/22/889650822.db2.gz DYODNBGXUGJLQC-SFHVURJKSA-N 1 0 386.540 3.878 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533178636 889914800 /nfs/dbraw/zinc/91/48/00/889914800.db2.gz WJILQCSOTDLFFN-MJGOQNOKSA-N 1 0 375.806 3.551 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454905843 889949788 /nfs/dbraw/zinc/94/97/88/889949788.db2.gz GZFIMRLXHZYRCV-NHCUHLMSSA-N 1 0 385.552 3.569 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000533271938 890138140 /nfs/dbraw/zinc/13/81/40/890138140.db2.gz OFFLBTWGRQEYOV-UHFFFAOYSA-N 1 0 380.536 3.790 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000795101589 890255299 /nfs/dbraw/zinc/25/52/99/890255299.db2.gz QDPMVVXAERIJDR-ICSRJNTNSA-N 1 0 385.508 3.658 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3ncccc3CC#N)c3nccc2-3)cc1 ZINC001170663724 890342830 /nfs/dbraw/zinc/34/28/30/890342830.db2.gz GXIPIKIGMSPBQE-OAHLLOKOSA-N 1 0 396.454 3.710 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1C#N ZINC000154252867 890756016 /nfs/dbraw/zinc/75/60/16/890756016.db2.gz SVBLGMMPIPEGCZ-LJQANCHMSA-N 1 0 398.507 3.724 20 30 GHEDRO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000455409005 890917901 /nfs/dbraw/zinc/91/79/01/890917901.db2.gz ZZJXCZVWUWFXCJ-UHFFFAOYSA-N 1 0 382.512 3.503 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3F)CC2)C1=O ZINC001275350500 913507900 /nfs/dbraw/zinc/50/79/00/913507900.db2.gz CYEIXUGASXXQOL-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)Nc2cc(CC#N)ccn2)C[N@@H+]1Cc1ccccc1 ZINC000871725517 890992144 /nfs/dbraw/zinc/99/21/44/890992144.db2.gz BYUNEYMHGLFFRU-XLIONFOSSA-N 1 0 377.492 3.570 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000812832919 891016624 /nfs/dbraw/zinc/01/66/24/891016624.db2.gz NBROBXPIKRPZTN-UHFFFAOYSA-N 1 0 375.501 3.835 20 30 GHEDRO C=CCC1(CNC(=O)N2CCC[C@H](N(C)Cc3noc(C)n3)CC2)CCCC1 ZINC000455483091 891033659 /nfs/dbraw/zinc/03/36/59/891033659.db2.gz UHDSUBGGKDITJT-SFHVURJKSA-N 1 0 389.544 3.510 20 30 GHEDRO COc1ccc([C@@H](O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000812855534 891049829 /nfs/dbraw/zinc/04/98/29/891049829.db2.gz NQKCYMMYACYJLV-HSZRJFAPSA-N 1 0 380.488 3.781 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812880372 891060452 /nfs/dbraw/zinc/06/04/52/891060452.db2.gz ISRPDGDHEQXIHE-DENIHFKCSA-N 1 0 379.479 3.711 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000812864945 891081820 /nfs/dbraw/zinc/08/18/20/891081820.db2.gz BTRJIWCENNSGFS-AVRDEDQJSA-N 1 0 388.552 3.644 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)C1 ZINC000812917050 891102243 /nfs/dbraw/zinc/10/22/43/891102243.db2.gz ZHPHQJSZIIVOKT-SFHVURJKSA-N 1 0 385.405 3.662 20 30 GHEDRO CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000872031365 891126095 /nfs/dbraw/zinc/12/60/95/891126095.db2.gz IZHHBGZKPATZEA-QFIPXVFZSA-N 1 0 396.510 3.687 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000812936669 891144763 /nfs/dbraw/zinc/14/47/63/891144763.db2.gz TXQXJHKEMVIYBE-LADGPHEKSA-N 1 0 391.490 3.808 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124167004 891291071 /nfs/dbraw/zinc/29/10/71/891291071.db2.gz DCJDHXDRYUWENI-HXUWFJFHSA-N 1 0 378.520 3.786 20 30 GHEDRO CC1(C)CCc2onc(CNCc3cn(CCC#N)nc3-c3ccncc3)c2C1 ZINC000873174156 891500660 /nfs/dbraw/zinc/50/06/60/891500660.db2.gz BTYUDOVXURTYTK-UHFFFAOYSA-N 1 0 390.491 3.651 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873308146 891572503 /nfs/dbraw/zinc/57/25/03/891572503.db2.gz AWABHYIEDIFXJF-UPJWGTAASA-N 1 0 386.443 3.682 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1C ZINC000128330269 891675270 /nfs/dbraw/zinc/67/52/70/891675270.db2.gz AZAHXENMFLTAFR-FPOVZHCZSA-N 1 0 379.508 3.520 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1F ZINC000774825524 913624760 /nfs/dbraw/zinc/62/47/60/913624760.db2.gz DGBWRDMJTSCIET-BBRMVZONSA-N 1 0 390.418 3.722 20 30 GHEDRO CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000615085791 892114253 /nfs/dbraw/zinc/11/42/53/892114253.db2.gz GHIPWZGOISLCOM-JOCHJYFZSA-N 1 0 378.520 3.753 20 30 GHEDRO C=CCNc1ncc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000128553904 892116441 /nfs/dbraw/zinc/11/64/41/892116441.db2.gz STMIXQRNFAMKKY-UHFFFAOYSA-N 1 0 384.549 3.725 20 30 GHEDRO COc1cc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)ccc1CC#N ZINC001170721265 892153654 /nfs/dbraw/zinc/15/36/54/892153654.db2.gz XUTCIUGCHVTPHF-AQYVVDRMSA-N 1 0 382.552 3.512 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000653952124 892308699 /nfs/dbraw/zinc/30/86/99/892308699.db2.gz GBRDWJBFBOZSLD-RTWAWAEBSA-N 1 0 396.535 3.639 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Cl)cc4cccnc43)C2=O)cc1 ZINC000192243477 892336455 /nfs/dbraw/zinc/33/64/55/892336455.db2.gz NFRHVDOOYWPVNG-HXUWFJFHSA-N 1 0 390.874 3.651 20 30 GHEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000874839069 892346062 /nfs/dbraw/zinc/34/60/62/892346062.db2.gz TUSYDRSABWUOAI-VXKWHMMOSA-N 1 0 375.472 3.854 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000875128710 892459806 /nfs/dbraw/zinc/45/98/06/892459806.db2.gz WHEZSQQDLQXOAD-INIZCTEOSA-N 1 0 382.430 3.724 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000814310548 892508800 /nfs/dbraw/zinc/50/88/00/892508800.db2.gz WOKOKAJUOGONNK-HXUWFJFHSA-N 1 0 391.519 3.995 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C)cc1 ZINC000154529060 892599667 /nfs/dbraw/zinc/59/96/67/892599667.db2.gz NUOJFBRZVBFFCI-HNNXBMFYSA-O 1 0 386.497 3.826 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508696077 892657815 /nfs/dbraw/zinc/65/78/15/892657815.db2.gz GEYDPKHAZAQKNA-HXUWFJFHSA-N 1 0 395.551 3.725 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)ccc1OC ZINC000825826982 892863161 /nfs/dbraw/zinc/86/31/61/892863161.db2.gz KMYRRPMQBWFWLI-VQTJNVASSA-N 1 0 399.535 3.789 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)s1 ZINC000129071788 892981247 /nfs/dbraw/zinc/98/12/47/892981247.db2.gz MQASEYJGRPEINL-UHFFFAOYSA-N 1 0 380.901 3.587 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCOc3ccccc3C#N)CC[C@@H]2C1 ZINC000814676757 893060244 /nfs/dbraw/zinc/06/02/44/893060244.db2.gz CJHAJKIEXAUNEF-KDURUIRLSA-N 1 0 385.508 3.516 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000933502191 893062970 /nfs/dbraw/zinc/06/29/70/893062970.db2.gz LZDMDFJCGSKMIB-GCJKJVERSA-N 1 0 391.556 3.856 20 30 GHEDRO N#Cc1ccsc1NC(=O)CN1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547936 893070974 /nfs/dbraw/zinc/07/09/74/893070974.db2.gz RQABZXSAYXFISZ-UHFFFAOYSA-N 1 0 394.544 3.645 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)CCOCC1 ZINC000933632379 893112180 /nfs/dbraw/zinc/11/21/80/893112180.db2.gz GESMEZCEUHZKCZ-LJQANCHMSA-N 1 0 389.927 3.635 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000933716518 893167804 /nfs/dbraw/zinc/16/78/04/893167804.db2.gz OPJKZQWKHBHIKR-HNNXBMFYSA-N 1 0 376.382 3.625 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)[NH+](C)C)c1 ZINC000455758035 893184680 /nfs/dbraw/zinc/18/46/80/893184680.db2.gz UVGOHBSAMJDSPQ-IBGZPJMESA-N 1 0 386.883 3.839 20 30 GHEDRO CCc1cc(N=NC(C)c2ccc3c(c2)CC[NH2+]CC3)nc(-c2ccccn2)n1 ZINC000814841630 893231257 /nfs/dbraw/zinc/23/12/57/893231257.db2.gz GJVKCWORBRNXNW-UHFFFAOYSA-N 1 0 386.503 3.625 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1C ZINC000876589192 893241367 /nfs/dbraw/zinc/24/13/67/893241367.db2.gz KESRJBPPOIKQTC-IIYDPXPESA-N 1 0 377.916 3.522 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)c(OC)c1 ZINC000562995534 893253893 /nfs/dbraw/zinc/25/38/93/893253893.db2.gz VIIQZKIUNFHTHV-PMACEKPBSA-N 1 0 389.536 3.635 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000876690292 893290709 /nfs/dbraw/zinc/29/07/09/893290709.db2.gz UGUDAIFXJAZNJJ-MJGOQNOKSA-N 1 0 392.858 3.518 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC(CCC#N)CC1 ZINC000563037619 893307482 /nfs/dbraw/zinc/30/74/82/893307482.db2.gz GQYBGPOYJMWQHD-UHFFFAOYSA-N 1 0 386.540 3.633 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001134820343 893357300 /nfs/dbraw/zinc/35/73/00/893357300.db2.gz JAOXSMSROIUTJV-UTNXRVHCSA-N 1 0 385.511 3.988 20 30 GHEDRO COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cc(C#N)cnc3Cl)CC2)cc1 ZINC000876990120 893421413 /nfs/dbraw/zinc/42/14/13/893421413.db2.gz QNVYTQXVUZPUHJ-UHFFFAOYSA-N 1 0 384.911 3.617 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1Cl ZINC000536646023 893445961 /nfs/dbraw/zinc/44/59/61/893445961.db2.gz KESIWUAAPVKXSY-UHFFFAOYSA-N 1 0 390.833 3.795 20 30 GHEDRO N#CCC[C@@H](C#N)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000815126327 893459925 /nfs/dbraw/zinc/45/99/25/893459925.db2.gz LJAVTYLHSSTBAA-AWEZNQCLSA-N 1 0 394.288 3.713 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC000815156294 893494722 /nfs/dbraw/zinc/49/47/22/893494722.db2.gz ZTRCTDBCFXJAEC-DRSNIGMVSA-N 1 0 395.478 3.958 20 30 GHEDRO C=CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674158 893509365 /nfs/dbraw/zinc/50/93/65/893509365.db2.gz IGKZJSSRPWSAON-KRWDZBQOSA-N 1 0 393.539 3.980 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000877312156 893559512 /nfs/dbraw/zinc/55/95/12/893559512.db2.gz CZKHKEVFUUPIKN-YLJYHZDGSA-N 1 0 379.545 3.712 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000815202629 893597517 /nfs/dbraw/zinc/59/75/17/893597517.db2.gz XUGMYRZXHNLXRQ-PWRODBHTSA-N 1 0 399.535 3.703 20 30 GHEDRO N#CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)cc1 ZINC001137120562 893632999 /nfs/dbraw/zinc/63/29/99/893632999.db2.gz UBVZMNRUOGQFPS-FGZHOGPDSA-N 1 0 391.471 3.574 20 30 GHEDRO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001137121365 893649906 /nfs/dbraw/zinc/64/99/06/893649906.db2.gz HLECHBROUZNMBE-YADHBBJMSA-N 1 0 378.472 3.900 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000934554563 893708699 /nfs/dbraw/zinc/70/86/99/893708699.db2.gz QJRPFGUUDIINHM-IAGOWNOFSA-N 1 0 397.498 3.808 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)o1 ZINC000563462056 893758748 /nfs/dbraw/zinc/75/87/48/893758748.db2.gz ZUUNXAQZUAUGNV-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877684210 893760279 /nfs/dbraw/zinc/76/02/79/893760279.db2.gz QEQDPVMEWCYVGB-SAZUREKKSA-N 1 0 378.904 3.780 20 30 GHEDRO C[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)Cc1ccc(C#N)cc1 ZINC000536767749 893769696 /nfs/dbraw/zinc/76/96/96/893769696.db2.gz NTNHVUVQWFGNCO-UHFFFAOYSA-N 1 0 377.517 3.698 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC000877809643 893819243 /nfs/dbraw/zinc/81/92/43/893819243.db2.gz FNLHCXHMNBYIFE-HNNXBMFYSA-N 1 0 391.537 3.516 20 30 GHEDRO C=CCCc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(=O)[nH]1 ZINC001185353103 913808129 /nfs/dbraw/zinc/80/81/29/913808129.db2.gz YGEWEWYQBZGUJO-KNQAVFIVSA-N 1 0 391.515 3.642 20 30 GHEDRO Cc1nsc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C#N ZINC000459563276 893827821 /nfs/dbraw/zinc/82/78/21/893827821.db2.gz CISLSWMQIXDQGW-KRWDZBQOSA-N 1 0 383.521 3.745 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC12CCCC2 ZINC000556129664 893862345 /nfs/dbraw/zinc/86/23/45/893862345.db2.gz JSSXJYYJOJNSDI-HSZRJFAPSA-N 1 0 394.519 3.914 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000563551881 893890935 /nfs/dbraw/zinc/89/09/35/893890935.db2.gz FLZJCXGCZGNVFY-ZWKOTPCHSA-N 1 0 375.561 3.510 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)CCCc2cccnc2)c1 ZINC000459643359 893964733 /nfs/dbraw/zinc/96/47/33/893964733.db2.gz OJCAUJNNTGMVEQ-FQEVSTJZSA-N 1 0 378.520 3.946 20 30 GHEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459683471 894004445 /nfs/dbraw/zinc/00/44/45/894004445.db2.gz BABDHJJSHPRWRG-UHFFFAOYSA-N 1 0 392.341 3.892 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000878164827 894063478 /nfs/dbraw/zinc/06/34/78/894063478.db2.gz OZSCTDICTLGSQX-HSZRJFAPSA-N 1 0 399.535 3.758 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000563877108 894288060 /nfs/dbraw/zinc/28/80/60/894288060.db2.gz CJNSWGAEKUSBBO-WMZOPIPTSA-N 1 0 385.943 3.771 20 30 GHEDRO CNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022734660 894335571 /nfs/dbraw/zinc/33/55/71/894335571.db2.gz AWOQZOYRCYSXAX-UHFFFAOYSA-O 1 0 386.497 3.646 20 30 GHEDRO COc1ccccc1O[C@@H]1CCC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878610894 894439330 /nfs/dbraw/zinc/43/93/30/894439330.db2.gz GNINMGZUGMSXMO-ZJSXRUAMSA-N 1 0 392.499 3.979 20 30 GHEDRO C#CCCCCC[NH+]1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000878708952 894525318 /nfs/dbraw/zinc/52/53/18/894525318.db2.gz BYZOGINAOIPMNI-PMACEKPBSA-N 1 0 378.557 3.964 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCOCC1 ZINC000537220810 894586252 /nfs/dbraw/zinc/58/62/52/894586252.db2.gz QCZHTOGMQLHRFK-QGZVFWFLSA-N 1 0 375.538 3.622 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCOCC1 ZINC000537221011 894586972 /nfs/dbraw/zinc/58/69/72/894586972.db2.gz RDQOXNPAULUUFU-RDJZCZTQSA-N 1 0 375.538 3.672 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC2(CC#N)CC2)C1 ZINC000878811382 894637262 /nfs/dbraw/zinc/63/72/62/894637262.db2.gz FUDLWNJUUPJUKQ-FGTMMUONSA-N 1 0 377.529 3.607 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000879024603 894790509 /nfs/dbraw/zinc/79/05/09/894790509.db2.gz ZNYLSKKPIUHZNB-LJQANCHMSA-N 1 0 375.394 3.885 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1cccc(OCC#N)c1 ZINC000816452764 894847168 /nfs/dbraw/zinc/84/71/68/894847168.db2.gz FUMPIPLTFUZRTO-AVRDEDQJSA-N 1 0 378.472 3.585 20 30 GHEDRO C=CCNC(=O)C[NH2+]Cc1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 ZINC000537415546 894943986 /nfs/dbraw/zinc/94/39/86/894943986.db2.gz CBOCRJVPIIIIKH-UHFFFAOYSA-N 1 0 388.515 3.607 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000564429242 894974136 /nfs/dbraw/zinc/97/41/36/894974136.db2.gz OWZCVIRTPHTZTA-FQEVSTJZSA-N 1 0 384.455 3.528 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879408164 895038262 /nfs/dbraw/zinc/03/82/62/895038262.db2.gz UIHCHSQXVQKWOP-CRAIPNDOSA-N 1 0 375.538 3.814 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@H](Cc2ccccn2)C(=O)OCC)cc1 ZINC001170845128 895096028 /nfs/dbraw/zinc/09/60/28/895096028.db2.gz RZBBWBPUWPVHSN-VXKWHMMOSA-N 1 0 379.504 3.991 20 30 GHEDRO CC(C)(C)c1csc(CC2(O)CC[NH+](CCc3ccc(C#N)cc3)CC2)n1 ZINC000879614028 895176514 /nfs/dbraw/zinc/17/65/14/895176514.db2.gz WYPIENMJCPNCIL-UHFFFAOYSA-N 1 0 383.561 3.924 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000564679701 895176757 /nfs/dbraw/zinc/17/67/57/895176757.db2.gz GFGYIEVWOHORDS-UHFFFAOYSA-N 1 0 378.204 3.989 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000564719670 895209716 /nfs/dbraw/zinc/20/97/16/895209716.db2.gz QTQGDCOHPSMPHV-INIZCTEOSA-N 1 0 390.487 3.644 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734927 895262049 /nfs/dbraw/zinc/26/20/49/895262049.db2.gz PZFWXGTTWWCJHO-VQIMIIECSA-N 1 0 387.549 3.958 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000565268843 895488678 /nfs/dbraw/zinc/48/86/78/895488678.db2.gz GEILEEWVNSGEIF-HNNXBMFYSA-N 1 0 385.537 3.847 20 30 GHEDRO Cc1nccnc1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000880106545 895519087 /nfs/dbraw/zinc/51/90/87/895519087.db2.gz LTHMKGMXLCYSKN-STQMWFEESA-N 1 0 383.521 3.522 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@@H]1CCCOC1 ZINC000880467614 895720938 /nfs/dbraw/zinc/72/09/38/895720938.db2.gz GGGQLFFCAUCVDH-XLIONFOSSA-N 1 0 386.540 3.825 20 30 GHEDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(OCCCC#N)c3)C2)cc1 ZINC000818220942 896084868 /nfs/dbraw/zinc/08/48/68/896084868.db2.gz OZDLAQCXYWHCAM-FQEVSTJZSA-N 1 0 379.504 3.994 20 30 GHEDRO CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881143297 896195183 /nfs/dbraw/zinc/19/51/83/896195183.db2.gz NZFVYSPYCXNRGX-IBGZPJMESA-N 1 0 381.455 3.588 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000818611787 896216997 /nfs/dbraw/zinc/21/69/97/896216997.db2.gz CXDYKURBPXXQJS-UHFFFAOYSA-N 1 0 381.863 3.689 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)ccc1OC ZINC000819070581 896386350 /nfs/dbraw/zinc/38/63/50/896386350.db2.gz XFOIXTWHSSQOSI-RTBURBONSA-N 1 0 388.895 3.723 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000881627055 896400357 /nfs/dbraw/zinc/40/03/57/896400357.db2.gz URMBYSHRCFGVDF-OAQYLSRUSA-N 1 0 391.556 3.505 20 30 GHEDRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819209381 896501001 /nfs/dbraw/zinc/50/10/01/896501001.db2.gz WXYNKKPYSFAVTL-VMDGZTHMSA-N 1 0 389.293 3.720 20 30 GHEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1C ZINC000567103453 896876961 /nfs/dbraw/zinc/87/69/61/896876961.db2.gz CNWWIGLUHBYSDR-FQEVSTJZSA-N 1 0 377.488 3.689 20 30 GHEDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000567152400 896919152 /nfs/dbraw/zinc/91/91/52/896919152.db2.gz ODZOTJSTBKRCHL-UHFFFAOYSA-N 1 0 395.463 3.625 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000819736952 896961072 /nfs/dbraw/zinc/96/10/72/896961072.db2.gz RDFWETSTFWNIBA-GFBZKKKVSA-N 1 0 377.488 3.731 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1Cl ZINC000567263660 897017621 /nfs/dbraw/zinc/01/76/21/897017621.db2.gz AJTXQFBIXRRSSU-FQEVSTJZSA-N 1 0 387.911 3.821 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](CCc3ccc(Cl)cc3Cl)C2)C1=O ZINC001276323445 914128492 /nfs/dbraw/zinc/12/84/92/914128492.db2.gz BIQLMEADCFEUGO-LJQANCHMSA-N 1 0 381.303 3.563 20 30 GHEDRO COc1cc(C)c(C[N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)cc1OC ZINC000131022574 897294733 /nfs/dbraw/zinc/29/47/33/897294733.db2.gz ZEQDYEJFIAQAFG-UHFFFAOYSA-N 1 0 391.475 3.540 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000131020528 897294905 /nfs/dbraw/zinc/29/49/05/897294905.db2.gz UCWBKZMGGIDAHL-XXBNENTESA-N 1 0 376.500 3.583 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccc(F)cc3)C3CCOCC3)CC2)nc1 ZINC000883185188 897348987 /nfs/dbraw/zinc/34/89/87/897348987.db2.gz QLAVQCQOVDKHRH-QHCPKHFHSA-N 1 0 394.494 3.819 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001136344615 897360988 /nfs/dbraw/zinc/36/09/88/897360988.db2.gz MXFJIAYDQFWHAS-UHFFFAOYSA-N 1 0 388.002 3.781 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N1CCC(CCC#N)CC1)[NH+]1CCCCC1 ZINC000567753147 897379393 /nfs/dbraw/zinc/37/93/93/897379393.db2.gz KJMDKHCEAXVBSC-OAQYLSRUSA-N 1 0 398.551 3.948 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]([C@@H]2CCOC2)C1 ZINC000883222757 897382110 /nfs/dbraw/zinc/38/21/10/897382110.db2.gz ZTCQMECVPOMJOF-FGTMMUONSA-N 1 0 379.545 3.568 20 30 GHEDRO C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc(Cl)cc1 ZINC000820564971 897397925 /nfs/dbraw/zinc/39/79/25/897397925.db2.gz HQQGAQAQXQYZFA-SFHVURJKSA-N 1 0 375.925 3.849 20 30 GHEDRO C#C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccc(Br)cc1 ZINC000820616220 897413273 /nfs/dbraw/zinc/41/32/73/897413273.db2.gz GVXDRBLUSXDVOK-JLSDUUJJSA-N 1 0 392.341 3.638 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(Br)cc2C#N)([NH+](C)C)C1 ZINC001136359957 897468779 /nfs/dbraw/zinc/46/87/79/897468779.db2.gz BIIWQZOORXMFOV-ACJLOTCBSA-N 1 0 378.314 3.561 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1F ZINC000820744555 897529248 /nfs/dbraw/zinc/52/92/48/897529248.db2.gz IKCQLWPVEQFUAQ-HNAYVOBHSA-N 1 0 377.891 3.527 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000883589115 897737983 /nfs/dbraw/zinc/73/79/83/897737983.db2.gz YFUJHFALVFSOTH-USWWRNFRSA-N 1 0 387.299 3.860 20 30 GHEDRO CN1CCC(C/N=C/c2cc(Br)ccc2O)([NH+]2CCCCC2)CC1 ZINC000132380195 897771761 /nfs/dbraw/zinc/77/17/61/897771761.db2.gz QZXBUVWZFJHKAW-KGENOOAVSA-N 1 0 394.357 3.524 20 30 GHEDRO N#Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001136466928 897952653 /nfs/dbraw/zinc/95/26/53/897952653.db2.gz KBLQZOAUMQDQSX-UHFFFAOYSA-N 1 0 390.512 3.883 20 30 GHEDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587100 897959888 /nfs/dbraw/zinc/95/98/88/897959888.db2.gz MHDAUTVNTWTLNG-LSDHHAIUSA-N 1 0 375.538 3.717 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CC)Cc2ccccc2Br)CC1 ZINC000543764744 914211399 /nfs/dbraw/zinc/21/13/99/914211399.db2.gz GTNBVSBKUNVLGT-UHFFFAOYSA-N 1 0 380.330 3.631 20 30 GHEDRO C[NH+]1CCC(OCC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000821994181 898180582 /nfs/dbraw/zinc/18/05/82/898180582.db2.gz FVLQMZUKRQGQFZ-UHFFFAOYSA-N 1 0 381.501 3.759 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCSc1ccccc1 ZINC000043108225 898208739 /nfs/dbraw/zinc/20/87/39/898208739.db2.gz VCTFASNIQBRQBO-UHFFFAOYSA-N 1 0 396.560 3.814 20 30 GHEDRO COc1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c(OC(F)F)c1 ZINC000569156390 898375538 /nfs/dbraw/zinc/37/55/38/898375538.db2.gz VRJSORJVGHXJIC-UHFFFAOYSA-N 1 0 376.403 3.817 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000155209135 898419925 /nfs/dbraw/zinc/41/99/25/898419925.db2.gz VQHYAKIQUVQCAH-SFHVURJKSA-N 1 0 393.878 3.889 20 30 GHEDRO CCN(C(=O)NCc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569233636 898451626 /nfs/dbraw/zinc/45/16/26/898451626.db2.gz MIOINVFDDDUXBS-JOCHJYFZSA-N 1 0 376.504 3.559 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000331564388 898985776 /nfs/dbraw/zinc/98/57/76/898985776.db2.gz UEKHKBNNAKKQSA-OALUTQOASA-N 1 0 383.536 3.829 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3nc(-c4ccc(F)cc4)oc3c1)C2 ZINC000884131950 899018139 /nfs/dbraw/zinc/01/81/39/899018139.db2.gz BAHVPUYKDZCKCD-HEOKHYPTSA-N 1 0 390.418 3.712 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)cc1 ZINC000289738049 914322190 /nfs/dbraw/zinc/32/21/90/914322190.db2.gz QBMUMNSKEZRAML-UHFFFAOYSA-N 1 0 375.476 3.761 20 30 GHEDRO Cc1cccnc1[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)C ZINC000115841284 899225800 /nfs/dbraw/zinc/22/58/00/899225800.db2.gz VBXHDXGAIFKLAM-NRFANRHFSA-N 1 0 393.535 3.732 20 30 GHEDRO Cc1ccc(Oc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cn2)cc1C ZINC000884187489 899282170 /nfs/dbraw/zinc/28/21/70/899282170.db2.gz GUNMQJIKDYHVIY-PSCUFVCCSA-N 1 0 376.460 3.569 20 30 GHEDRO CC[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000570439433 899320057 /nfs/dbraw/zinc/32/00/57/899320057.db2.gz MPCSOQLDEYILCZ-HSZRJFAPSA-N 1 0 391.515 3.839 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000332023478 899349807 /nfs/dbraw/zinc/34/98/07/899349807.db2.gz WHHRCFHLGIDSDI-SFHVURJKSA-N 1 0 389.565 3.605 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000570539664 899371518 /nfs/dbraw/zinc/37/15/18/899371518.db2.gz DUHWRBLDDLGCSJ-UHFFFAOYSA-N 1 0 375.561 3.816 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)ccn1 ZINC000289812508 914360364 /nfs/dbraw/zinc/36/03/64/914360364.db2.gz NDKCPJMGDQNMES-UHFFFAOYSA-N 1 0 391.475 3.741 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000570836687 899628850 /nfs/dbraw/zinc/62/88/50/899628850.db2.gz JPELRRLXLRSNAL-IRLDBZIGSA-N 1 0 392.499 3.702 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C2)CC1 ZINC000332612939 899798982 /nfs/dbraw/zinc/79/89/82/899798982.db2.gz AHVPKMSHRLHPJQ-CQSZACIVSA-N 1 0 396.413 3.652 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136933507 899802703 /nfs/dbraw/zinc/80/27/03/899802703.db2.gz PVXFLQWPKKTAQW-OAQYLSRUSA-N 1 0 394.462 3.941 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4nc5ccccc5s4)C3)CC2=O)c1 ZINC001136953411 899838321 /nfs/dbraw/zinc/83/83/21/899838321.db2.gz AVKPRCKYDCNBMB-JOCHJYFZSA-N 1 0 388.496 3.797 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000825225916 900035141 /nfs/dbraw/zinc/03/51/41/900035141.db2.gz BHIVFXQNJNXKML-NJYVYQBISA-N 1 0 384.520 3.562 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000825263312 900058097 /nfs/dbraw/zinc/05/80/97/900058097.db2.gz PTTGBOCUJJSQCD-CRAIPNDOSA-N 1 0 390.524 3.912 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000825337639 900102789 /nfs/dbraw/zinc/10/27/89/900102789.db2.gz HRZXWWCOLNIXQI-UGSOOPFHSA-N 1 0 375.266 3.563 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3cc(Cl)nc([C@H]4CCCO4)n3)CC2)c1 ZINC000884547002 900166462 /nfs/dbraw/zinc/16/64/62/900166462.db2.gz ZODYJNQAQVQIKP-GOSISDBHSA-N 1 0 397.910 3.930 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000572412936 900174358 /nfs/dbraw/zinc/17/43/58/900174358.db2.gz GDZHMRICEGFPSN-QFIPXVFZSA-N 1 0 375.472 3.571 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(F)c(F)c1 ZINC000572505230 900206346 /nfs/dbraw/zinc/20/63/46/900206346.db2.gz YKZMKADWIAIHOS-RBBKRZOGSA-N 1 0 395.457 3.798 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000573047743 900351182 /nfs/dbraw/zinc/35/11/82/900351182.db2.gz ZZXJGZJJWYXOPW-HXUWFJFHSA-N 1 0 377.492 3.825 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000573269116 900435651 /nfs/dbraw/zinc/43/56/51/900435651.db2.gz XICMQTDURCZHOR-YVEFUNNKSA-N 1 0 393.256 3.550 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[N@@H+]1C ZINC000289960244 914449691 /nfs/dbraw/zinc/44/96/91/914449691.db2.gz WWDBIPPMDJQIIV-YJBOKZPZSA-N 1 0 379.464 3.692 20 30 GHEDRO Cc1nsc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000573542269 900548189 /nfs/dbraw/zinc/54/81/89/900548189.db2.gz YAINYYVWNFVMAS-RHSMWYFYSA-N 1 0 383.521 3.745 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4cc(Cl)ccc4C3)CC2)cc1 ZINC001171108006 900549594 /nfs/dbraw/zinc/54/95/94/900549594.db2.gz GANJMVUJHJHWKV-QFIPXVFZSA-N 1 0 393.918 3.963 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000885974792 900660762 /nfs/dbraw/zinc/66/07/62/900660762.db2.gz CHCITQARHCFRJO-CEXWTWQISA-N 1 0 391.556 3.543 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000573883838 900684048 /nfs/dbraw/zinc/68/40/48/900684048.db2.gz MHKXOEVBPJVAMS-UHFFFAOYSA-N 1 0 387.483 3.917 20 30 GHEDRO CC(C)[C@@H](CC[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000844306520 900695528 /nfs/dbraw/zinc/69/55/28/900695528.db2.gz LSWUSVZEBBNNMK-QGZVFWFLSA-N 1 0 390.484 3.838 20 30 GHEDRO O=C(CCS)N1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001143979518 900861419 /nfs/dbraw/zinc/86/14/19/900861419.db2.gz XVBGPZPYCGPWNI-UHFFFAOYSA-N 1 0 398.572 3.647 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C(C)=O)c1ccccc1 ZINC000574429276 900887621 /nfs/dbraw/zinc/88/76/21/900887621.db2.gz BFOWLXMJMNSVCZ-FQEVSTJZSA-N 1 0 384.549 3.915 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574544091 900922968 /nfs/dbraw/zinc/92/29/68/900922968.db2.gz HPPYEJPMVJQNOR-NRFANRHFSA-N 1 0 392.503 3.989 20 30 GHEDRO COC[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCCOC1 ZINC000886359766 900954842 /nfs/dbraw/zinc/95/48/42/900954842.db2.gz JOPJEDQNWSPMIQ-GGAORHGYSA-N 1 0 380.488 3.668 20 30 GHEDRO C#CCSCC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000219226169 900954957 /nfs/dbraw/zinc/95/49/57/900954957.db2.gz OKHFSVGSGWBZPQ-UHFFFAOYSA-N 1 0 393.144 3.676 20 30 GHEDRO COC[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCCOC1 ZINC000886359671 900955012 /nfs/dbraw/zinc/95/50/12/900955012.db2.gz IBQPLTZIUVUBNJ-GMAHTHKFSA-N 1 0 380.488 3.668 20 30 GHEDRO C#CC[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427541 901002945 /nfs/dbraw/zinc/00/29/45/901002945.db2.gz NWTSFFDAJIPYOZ-UHFFFAOYSA-N 1 0 395.503 3.775 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc(OC)c1OCC(F)F ZINC000574961513 901072421 /nfs/dbraw/zinc/07/24/21/901072421.db2.gz PNGXDHCFUKIBGG-UHFFFAOYSA-N 1 0 376.403 3.851 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000575032119 901095594 /nfs/dbraw/zinc/09/55/94/901095594.db2.gz IHXVRWKFRIPSON-UHFFFAOYSA-N 1 0 393.329 3.905 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)nc1 ZINC001144160546 901173768 /nfs/dbraw/zinc/17/37/68/901173768.db2.gz KONVWXGWCNOBAN-QFIPXVFZSA-N 1 0 386.499 3.529 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSc1ccc(F)cc1 ZINC000047010285 901236533 /nfs/dbraw/zinc/23/65/33/901236533.db2.gz IABIQRNHGWJAAK-UHFFFAOYSA-N 1 0 385.508 3.770 20 30 GHEDRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](C#N)CCC#N ZINC000575672943 901261920 /nfs/dbraw/zinc/26/19/20/901261920.db2.gz SYXWPJPMVANTQL-UKRRQHHQSA-N 1 0 381.261 3.645 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)c1C#N ZINC000158368850 901284928 /nfs/dbraw/zinc/28/49/28/901284928.db2.gz PHSHBHFHLGIRDS-FQEVSTJZSA-N 1 0 397.567 3.590 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)cn2)c1 ZINC000886930022 901331320 /nfs/dbraw/zinc/33/13/20/901331320.db2.gz NZMOARYBLMBTQS-JOCHJYFZSA-N 1 0 391.475 3.743 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c(C#N)cnc2c(Br)cccc21 ZINC000575855936 901392114 /nfs/dbraw/zinc/39/21/14/901392114.db2.gz BDPUCUJVIPAOSX-HIFRSBDPSA-N 1 0 385.309 3.932 20 30 GHEDRO CCC[N@H+]([C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000575868384 901406550 /nfs/dbraw/zinc/40/65/50/901406550.db2.gz OIIDAPIZSBCXQP-BQJUDKOJSA-N 1 0 381.520 3.579 20 30 GHEDRO C#CCC1([NH2+]Cc2csc(-c3ccc(OCC)c(OC)c3)n2)CCOCC1 ZINC000887125891 901447834 /nfs/dbraw/zinc/44/78/34/901447834.db2.gz OEKBIINICLKEMF-UHFFFAOYSA-N 1 0 386.517 3.880 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1c(F)cccc1F ZINC000844900617 901482048 /nfs/dbraw/zinc/48/20/48/901482048.db2.gz BJHLDVUHXNAOKY-OAHLLOKOSA-N 1 0 398.457 3.861 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000575959759 901523855 /nfs/dbraw/zinc/52/38/55/901523855.db2.gz GIRXPCUIXMXLNK-UHFFFAOYSA-N 1 0 393.491 3.987 20 30 GHEDRO Cc1cccc(OC[C@H](O)C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000576458983 902033933 /nfs/dbraw/zinc/03/39/33/902033933.db2.gz FSTFLVTYHVVUON-NYLDSWQDSA-N 1 0 380.488 3.586 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CC1 ZINC001144417573 902093988 /nfs/dbraw/zinc/09/39/88/902093988.db2.gz CHUIKYUZYCMXLG-UHFFFAOYSA-N 1 0 397.744 3.901 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001171179779 902101376 /nfs/dbraw/zinc/10/13/76/902101376.db2.gz XMJRGCNOGSOAJE-MRXNPFEDSA-N 1 0 375.488 3.818 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(I)cc1 ZINC001171180605 902151319 /nfs/dbraw/zinc/15/13/19/902151319.db2.gz BLSXWBHISBNORV-CYBMUJFWSA-N 1 0 376.241 3.884 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000125427987 902212552 /nfs/dbraw/zinc/21/25/52/902212552.db2.gz ZGQKPOHGCJOKDA-HZPDHXFCSA-N 1 0 378.542 3.559 20 30 GHEDRO C=C[C@@H](C)ONC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000845619027 902280265 /nfs/dbraw/zinc/28/02/65/902280265.db2.gz JFDGEUQTVSEDHI-CQSZACIVSA-N 1 0 396.329 3.561 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000047750287 902372738 /nfs/dbraw/zinc/37/27/38/902372738.db2.gz HANSTFNMHFSMCV-VGSWGCGISA-N 1 0 392.503 3.764 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)cc1 ZINC001144569377 902399497 /nfs/dbraw/zinc/39/94/97/902399497.db2.gz QKECELGKZSAUDF-UHFFFAOYSA-N 1 0 396.538 3.968 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001171211318 902648419 /nfs/dbraw/zinc/64/84/19/902648419.db2.gz CJZAVNAUSIWHNY-HXOBKFHXSA-N 1 0 377.463 3.757 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3c[nH]c4cc(Br)cnc34)CC2)cc1 ZINC001144700986 902657360 /nfs/dbraw/zinc/65/73/60/902657360.db2.gz QNSPKMKRKOUXNT-UHFFFAOYSA-N 1 0 396.292 3.519 20 30 GHEDRO C=C(C)Cn1c(CC)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000577314520 902673124 /nfs/dbraw/zinc/67/31/24/902673124.db2.gz JZGJOLINSDJUPS-HSZRJFAPSA-N 1 0 379.552 3.909 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001171212981 902706290 /nfs/dbraw/zinc/70/62/90/902706290.db2.gz SKLAJTWCXPPVPT-NGYIFUPDSA-N 1 0 391.515 3.834 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001171213219 902708940 /nfs/dbraw/zinc/70/89/40/902708940.db2.gz XDIHYEINELFBTN-RGXPITOMSA-N 1 0 397.544 3.703 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000600735141 902858099 /nfs/dbraw/zinc/85/80/99/902858099.db2.gz JZBAAYZSHQZTSO-JYJNAYRXSA-N 1 0 383.319 3.900 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001171220601 902861074 /nfs/dbraw/zinc/86/10/74/902861074.db2.gz CNMVVVAUMPMDFH-JMUQELJHSA-N 1 0 377.488 3.587 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000577582252 902916456 /nfs/dbraw/zinc/91/64/56/902916456.db2.gz LYEGRHCRKYTNQF-UHFFFAOYSA-N 1 0 395.482 3.540 20 30 GHEDRO Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000600840410 902986943 /nfs/dbraw/zinc/98/69/43/902986943.db2.gz GEFOFKAIOPCRGX-HXUWFJFHSA-N 1 0 390.531 3.710 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001171230556 903045631 /nfs/dbraw/zinc/04/56/31/903045631.db2.gz WHEAFWKJPBJYSY-AWEZNQCLSA-N 1 0 395.304 3.999 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887614925 903159349 /nfs/dbraw/zinc/15/93/49/903159349.db2.gz MBDASYXUBWXWBT-UHFFFAOYSA-N 1 0 389.499 3.794 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000846921642 903305350 /nfs/dbraw/zinc/30/53/50/903305350.db2.gz CDZRKZMJANNHHC-OALUTQOASA-N 1 0 384.524 3.812 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000846941900 903335590 /nfs/dbraw/zinc/33/55/90/903335590.db2.gz SNJIYQVPUHDMTM-SFHVURJKSA-N 1 0 390.531 3.906 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](CCc3ccc(Br)cc3)CC2)C1=O ZINC001275548709 914716126 /nfs/dbraw/zinc/71/61/26/914716126.db2.gz HTPPOTWRYWRIEV-UHFFFAOYSA-N 1 0 391.353 3.882 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CCC2)cc1 ZINC000847054703 903443524 /nfs/dbraw/zinc/44/35/24/903443524.db2.gz UWFGOXOCNHLAEV-UHFFFAOYSA-N 1 0 384.823 3.727 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccc(C#N)cc3)cc[nH+]2)CC1 ZINC001212836236 903463021 /nfs/dbraw/zinc/46/30/21/903463021.db2.gz XOFSSELQEKGKGJ-UHFFFAOYSA-N 1 0 379.464 3.754 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000578083117 903504789 /nfs/dbraw/zinc/50/47/89/903504789.db2.gz LNFQVKZEBWQQNP-UHFFFAOYSA-N 1 0 398.320 3.787 20 30 GHEDRO C=CCCCNC(=O)[C@@H]([NH2+]Cc1ccccc1)C(C)(C)NC(=O)OC(C)(C)C ZINC001146585396 903560261 /nfs/dbraw/zinc/56/02/61/903560261.db2.gz KIHAVORENCVRNL-GOSISDBHSA-N 1 0 389.540 3.531 20 30 GHEDRO CCOC(=O)c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC001171282297 903580185 /nfs/dbraw/zinc/58/01/85/903580185.db2.gz HJYILPZLERXZRO-UHFFFAOYSA-N 1 0 393.487 3.842 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(-c2ccncc2)n1 ZINC000578301260 903712469 /nfs/dbraw/zinc/71/24/69/903712469.db2.gz ZAQKBPHESTXAEX-LJQANCHMSA-N 1 0 377.423 3.611 20 30 GHEDRO C=CCn1c(CC)nnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000578342567 903748849 /nfs/dbraw/zinc/74/88/49/903748849.db2.gz COGIDVPXTBHVER-UHFFFAOYSA-N 1 0 393.457 3.758 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1OCCCC#N ZINC000136146207 903762664 /nfs/dbraw/zinc/76/26/64/903762664.db2.gz HAFQYDQURVRTEL-SFHVURJKSA-N 1 0 392.858 3.993 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)N(C)C)cc1OC ZINC000127803884 903785184 /nfs/dbraw/zinc/78/51/84/903785184.db2.gz OUWKZQNKVCKLNR-LRZVDXDASA-N 1 0 379.504 3.520 20 30 GHEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC001171305967 903796055 /nfs/dbraw/zinc/79/60/55/903796055.db2.gz DZGYZEAQBZHQQF-JTHBVZDNSA-N 1 0 382.479 3.729 20 30 GHEDRO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CCCN(c3ccc(C#N)cn3)CC1)CC2 ZINC001171318986 903968123 /nfs/dbraw/zinc/96/81/23/903968123.db2.gz BUTCWUJGXQHYNY-KRWDZBQOSA-N 1 0 396.922 3.685 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000772986446 903971578 /nfs/dbraw/zinc/97/15/78/903971578.db2.gz WBEZUJHFYOIWHV-UUPHZHHOSA-N 1 0 385.464 3.731 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000772988506 904014922 /nfs/dbraw/zinc/01/49/22/904014922.db2.gz QUJWHYQYLASCFW-GOSISDBHSA-N 1 0 375.472 3.803 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)c2)c1 ZINC000048745252 904094991 /nfs/dbraw/zinc/09/49/91/904094991.db2.gz MSQTWAOHQDASSZ-JOCHJYFZSA-N 1 0 399.498 3.686 20 30 GHEDRO Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc(C)c1O ZINC001148561838 904112754 /nfs/dbraw/zinc/11/27/54/904112754.db2.gz JHBQKKBGJMFZAU-MEMLXQNLSA-N 1 0 377.488 3.793 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccc([C@H](C)C#N)c1)[C@H]2C ZINC001148614317 904139757 /nfs/dbraw/zinc/13/97/57/904139757.db2.gz RCWVLXLECYNCLH-SJORKVTESA-N 1 0 379.508 3.567 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@H](C)c2cccs2)cc1 ZINC000151934355 904215917 /nfs/dbraw/zinc/21/59/17/904215917.db2.gz DQABXPWPCHPCKT-CQSZACIVSA-O 1 0 399.565 3.621 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030548 904387208 /nfs/dbraw/zinc/38/72/08/904387208.db2.gz SMXZKBZHRYROOV-GFCCVEGCSA-N 1 0 390.256 3.967 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3C[C@@H](C)N(Cc4ccccc4)C3)C2)C1 ZINC001171744762 904972040 /nfs/dbraw/zinc/97/20/40/904972040.db2.gz HZZOHUUPENDDMS-JCTONOIOSA-N 1 0 397.563 3.760 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001171754982 904987774 /nfs/dbraw/zinc/98/77/74/904987774.db2.gz KYTAKHPVIFNAPW-GNLZIIPMSA-N 1 0 384.564 3.723 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](C)[C@H]3CCO)sc2C1 ZINC001171835506 905085216 /nfs/dbraw/zinc/08/52/16/905085216.db2.gz ZZTFZTULSCPYML-RVKKMQEKSA-N 1 0 389.565 3.556 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000173886236 905155681 /nfs/dbraw/zinc/15/56/81/905155681.db2.gz XLLVPHCLHLZGJL-SJORKVTESA-N 1 0 378.476 3.631 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCc3ccccc3OC2)cc1C ZINC000801575543 921143505 /nfs/dbraw/zinc/14/35/05/921143505.db2.gz JZZNYCGLEKPKGT-HXUWFJFHSA-N 1 0 377.488 3.534 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001172305218 905459603 /nfs/dbraw/zinc/45/96/03/905459603.db2.gz QYPUQUXCWOGLNA-UUOWRZLLSA-N 1 0 391.490 3.753 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001172307515 905463617 /nfs/dbraw/zinc/46/36/17/905463617.db2.gz HPXQRFMFRXDWAD-XCYUPCBOSA-N 1 0 377.488 3.585 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)cc1 ZINC000175158928 905464712 /nfs/dbraw/zinc/46/47/12/905464712.db2.gz MTODNFAHWNQVMD-JOCHJYFZSA-N 1 0 376.504 3.612 20 30 GHEDRO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)Cc2cnn(CC3CC3)c21 ZINC001172308456 905465419 /nfs/dbraw/zinc/46/54/19/905465419.db2.gz NDJPLGMBNQJYME-VGSWGCGISA-N 1 0 378.520 3.732 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001172309913 905467598 /nfs/dbraw/zinc/46/75/98/905467598.db2.gz WCOPBDBPVSDSQV-UWJYYQICSA-N 1 0 397.473 3.517 20 30 GHEDRO Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 ZINC001172311335 905469071 /nfs/dbraw/zinc/46/90/71/905469071.db2.gz ROTNHRZQIKFLJN-HXUWFJFHSA-N 1 0 385.515 3.806 20 30 GHEDRO COC(=O)c1ccc(N2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC001172313110 905469241 /nfs/dbraw/zinc/46/92/41/905469241.db2.gz PFJGDUTUNLMNDT-INIZCTEOSA-N 1 0 397.906 3.751 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172312820 905469479 /nfs/dbraw/zinc/46/94/79/905469479.db2.gz JVQKEKNJUYRVRH-JPYJTQIMSA-N 1 0 391.515 3.782 20 30 GHEDRO CCOC(=O)C[C@@H]([NH2+][C@@H](C)CCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172483082 905558502 /nfs/dbraw/zinc/55/85/02/905558502.db2.gz NDLBTLSLZHWZDE-FUHWJXTLSA-N 1 0 395.544 3.627 20 30 GHEDRO COC(=O)c1ccc([C@@H](C[NH2+][C@@H](C)CCCC#N)NC(=O)OC(C)(C)C)cc1 ZINC001172491588 905596298 /nfs/dbraw/zinc/59/62/98/905596298.db2.gz OEPRKZLBSYJOMP-MAUKXSAKSA-N 1 0 389.496 3.711 20 30 GHEDRO CCCC[C@@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001172632619 905694510 /nfs/dbraw/zinc/69/45/10/905694510.db2.gz IQMUWOOFBVCXAP-ZWKOTPCHSA-N 1 0 378.561 3.522 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000801608781 921188045 /nfs/dbraw/zinc/18/80/45/921188045.db2.gz LHJJAZAJIUVUAL-UHFFFAOYSA-N 1 0 397.910 3.675 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CCO2 ZINC001172964099 906024566 /nfs/dbraw/zinc/02/45/66/906024566.db2.gz LORQWSDSPZIUNW-WOIUINJBSA-N 1 0 396.572 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCOc3cc(F)ccc32)C[C@H]1C#N ZINC001172973291 906036456 /nfs/dbraw/zinc/03/64/56/906036456.db2.gz BWSAGHMWWRFZAU-HLLBOEOZSA-N 1 0 375.444 3.531 20 30 GHEDRO COc1cccc(C2([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CCC2)c1 ZINC001172974474 906038346 /nfs/dbraw/zinc/03/83/46/906038346.db2.gz PVUJVRKCVVNHIV-ROUUACIJSA-N 1 0 385.508 3.956 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C[C@H]1C#N ZINC001172978563 906045502 /nfs/dbraw/zinc/04/55/02/906045502.db2.gz NOZOJZSTCUGQPU-SQNIBIBYSA-N 1 0 375.900 3.688 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1F ZINC001172985022 906051945 /nfs/dbraw/zinc/05/19/45/906051945.db2.gz NVWSZVRNHAECIG-IMJJTQAJSA-N 1 0 377.460 3.777 20 30 GHEDRO C[NH2+]CCc1cn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c2ccccc12 ZINC001172991486 906101436 /nfs/dbraw/zinc/10/14/36/906101436.db2.gz YRCYHQVHPMEELF-MSOLQXFVSA-N 1 0 382.508 3.867 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000190562940 906130618 /nfs/dbraw/zinc/13/06/18/906130618.db2.gz UGONNAHCTNRIBD-MRXNPFEDSA-N 1 0 397.350 3.522 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000178114817 906289639 /nfs/dbraw/zinc/28/96/39/906289639.db2.gz DFYWONMAPZEQBQ-CYBMUJFWSA-N 1 0 383.305 3.533 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)CC1 ZINC001173322013 906370825 /nfs/dbraw/zinc/37/08/25/906370825.db2.gz WSQUOKYWUFQPDO-NTFDOXNWSA-N 1 0 389.565 3.531 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001173320800 906371021 /nfs/dbraw/zinc/37/10/21/906371021.db2.gz DIKWZFMWRSTBII-XBMNGDBQSA-N 1 0 392.565 3.653 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)CC1 ZINC001173332474 906376084 /nfs/dbraw/zinc/37/60/84/906376084.db2.gz ABWKBBOGRYBQJV-VNMGMYBJSA-N 1 0 383.536 3.942 20 30 GHEDRO N#CCC1CCC([NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)CC1 ZINC001173336115 906379313 /nfs/dbraw/zinc/37/93/13/906379313.db2.gz NZLDPWPXAHNUNA-UHFFFAOYSA-N 1 0 385.527 3.965 20 30 GHEDRO COc1ccc(CN2CC[C@]3(CCC[N@@H+](C4CCC(CC#N)CC4)C3)C2=O)cc1 ZINC001173336110 906379670 /nfs/dbraw/zinc/37/96/70/906379670.db2.gz NSMGGNHKCIILPR-HQOBLLPJSA-N 1 0 395.547 3.982 20 30 GHEDRO C=CCOC1CCC(n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)CC1 ZINC001173317937 906388687 /nfs/dbraw/zinc/38/86/87/906388687.db2.gz LXYMLCHZMCWGTH-XPYPBCPKSA-N 1 0 385.552 3.755 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)cc1 ZINC001173420619 906422935 /nfs/dbraw/zinc/42/29/35/906422935.db2.gz BCTVYRMFUAGPHR-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO CC(=O)c1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173425159 906461302 /nfs/dbraw/zinc/46/13/02/906461302.db2.gz PASRZILISZWXRF-INIZCTEOSA-N 1 0 375.472 3.716 20 30 GHEDRO CCCCCCCC[N@H+](CCN)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173425120 906461580 /nfs/dbraw/zinc/46/15/80/906461580.db2.gz OLODXWOJTJXUCL-UHFFFAOYSA-N 1 0 384.568 3.784 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](CCO)c3cccc(Cl)c3)CC2)cc1 ZINC001173425867 906461905 /nfs/dbraw/zinc/46/19/05/906461905.db2.gz FYMYKDNEYKTKLO-NRFANRHFSA-N 1 0 397.906 3.530 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC001173427344 906463363 /nfs/dbraw/zinc/46/33/63/906463363.db2.gz RTOTVZZMJFAGBS-QHCPKHFHSA-N 1 0 389.499 3.912 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(NC(=[NH2+])c3ccc(F)c(Cl)c3)CC2)cc1 ZINC001173427889 906465253 /nfs/dbraw/zinc/46/52/53/906465253.db2.gz SVSLIVADXUVHQY-UHFFFAOYSA-N 1 0 384.842 3.571 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccsc2)CCO3)CC1 ZINC001173595045 906549005 /nfs/dbraw/zinc/54/90/05/906549005.db2.gz QMRUBMFNVIIDBA-AXIYNFMDSA-N 1 0 387.549 3.574 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCOCC3)C2)CC1 ZINC001173594747 906549250 /nfs/dbraw/zinc/54/92/50/906549250.db2.gz LHOCSSNWUYWYPR-ZWDXQAFOSA-N 1 0 390.568 3.773 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCC3(C[C@H]3C(=O)OCC)CC1)CC2 ZINC001173610134 906564170 /nfs/dbraw/zinc/56/41/70/906564170.db2.gz FGSXTOMZBFYNHD-JNCJJFRGSA-N 1 0 388.552 3.532 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000179762806 906588639 /nfs/dbraw/zinc/58/86/39/906588639.db2.gz ROGJQTNRZKTJAE-UHFFFAOYSA-N 1 0 378.520 3.505 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3SCCC(N)=O)CC2)cc1 ZINC000179790800 906598311 /nfs/dbraw/zinc/59/83/11/906598311.db2.gz FDCHWKIDMOCYTL-UHFFFAOYSA-N 1 0 394.544 3.602 20 30 GHEDRO COc1cc2c(cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000180047715 906675789 /nfs/dbraw/zinc/67/57/89/906675789.db2.gz UZRANXKNKLOJMA-HNNXBMFYSA-N 1 0 388.471 3.581 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Cc1ccccc1CC#N)[NH+]1CCCCC1 ZINC000777363806 906824484 /nfs/dbraw/zinc/82/44/84/906824484.db2.gz JICAOZOHVWTCQD-JOCHJYFZSA-N 1 0 391.515 3.647 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000180961990 906882633 /nfs/dbraw/zinc/88/26/33/906882633.db2.gz CMCUHXQTFPSBEE-NSHDSACASA-N 1 0 383.395 3.850 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191360724 906913677 /nfs/dbraw/zinc/91/36/77/906913677.db2.gz GGOSHKKPFFCCPY-DENIHFKCSA-N 1 0 399.498 3.683 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccc(OCC#N)cc1 ZINC000181572910 907029984 /nfs/dbraw/zinc/02/99/84/907029984.db2.gz ZXZBHPMTHGRFFP-OALUTQOASA-N 1 0 379.504 3.660 20 30 GHEDRO C=CCC1([NH2+]CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CCCC1 ZINC001174593135 907106387 /nfs/dbraw/zinc/10/63/87/907106387.db2.gz HKJYVYFCBWWUJX-UHFFFAOYSA-N 1 0 384.520 3.822 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)n1 ZINC000191715176 907181602 /nfs/dbraw/zinc/18/16/02/907181602.db2.gz XDVXHLWDVCXGDO-UHFFFAOYSA-N 1 0 390.447 3.753 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559497 907228506 /nfs/dbraw/zinc/22/85/06/907228506.db2.gz XFRIXFIKVTXHOE-GAJHUEQPSA-N 1 0 392.503 3.644 20 30 GHEDRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c(C)s1 ZINC000182988368 907309112 /nfs/dbraw/zinc/30/91/12/907309112.db2.gz BTUCNFFHTQPUPC-AWEZNQCLSA-N 1 0 379.489 3.712 20 30 GHEDRO CSC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC001175219316 907438405 /nfs/dbraw/zinc/43/84/05/907438405.db2.gz CTLIKTBZJNJWKM-CYBMUJFWSA-N 1 0 377.579 3.901 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001175530267 907604533 /nfs/dbraw/zinc/60/45/33/907604533.db2.gz AYTPHVVSKOENFA-IBGZPJMESA-N 1 0 398.304 3.749 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H]1CCCC[C@@H]1C)[n+]1ccc(C)cc1 ZINC000186963046 908012246 /nfs/dbraw/zinc/01/22/46/908012246.db2.gz ZNQOPDDUMLYEPY-WMLDXEAASA-O 1 0 386.541 3.994 20 30 GHEDRO N#Cc1ncc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1C(F)(F)F ZINC001176379649 908056645 /nfs/dbraw/zinc/05/66/45/908056645.db2.gz JKDQOSNVJRSFJB-UHFFFAOYSA-N 1 0 376.382 3.590 20 30 GHEDRO N#Cc1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1Br ZINC001176386028 908063913 /nfs/dbraw/zinc/06/39/13/908063913.db2.gz OVZMIFWABBUUPO-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188671702 908237955 /nfs/dbraw/zinc/23/79/55/908237955.db2.gz XLYITJSWWJVTHF-DLBZAZTESA-N 1 0 385.512 3.539 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001176855797 908297166 /nfs/dbraw/zinc/29/71/66/908297166.db2.gz JCIXXZMMOQWWHH-OAGGEKHMSA-N 1 0 387.549 3.574 20 30 GHEDRO C=CC[C@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000189525121 908342650 /nfs/dbraw/zinc/34/26/50/908342650.db2.gz VKFVWZJWLNVDTR-QHCPKHFHSA-N 1 0 378.516 3.619 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 ZINC000299529772 921415986 /nfs/dbraw/zinc/41/59/86/921415986.db2.gz YXMCHYURICOTKF-UHFFFAOYSA-N 1 0 375.472 3.531 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 ZINC001177450141 908574678 /nfs/dbraw/zinc/57/46/78/908574678.db2.gz XOOVZVWCBWTEID-QUCCMNQESA-N 1 0 395.526 3.777 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1C ZINC000773698789 908696437 /nfs/dbraw/zinc/69/64/37/908696437.db2.gz CBJZXHFREPMMCD-LEWJYISDSA-N 1 0 383.536 3.689 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192129204 908726577 /nfs/dbraw/zinc/72/65/77/908726577.db2.gz BSRSSDHMSNPIDH-LPHOPBHVSA-N 1 0 391.805 3.548 20 30 GHEDRO CC[N@H+](CCC1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1)CC(C)C ZINC000773729164 908956201 /nfs/dbraw/zinc/95/62/01/908956201.db2.gz DSWNWZJDXOVALY-JOCHJYFZSA-N 1 0 385.552 3.852 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001178382347 909025147 /nfs/dbraw/zinc/02/51/47/909025147.db2.gz FTKFYWYRLKDQID-KRWDZBQOSA-N 1 0 378.900 3.745 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OC(F)F)c1 ZINC001178462326 909064290 /nfs/dbraw/zinc/06/42/90/909064290.db2.gz BOOXWCXGZSBAIH-UHFFFAOYSA-N 1 0 398.413 3.859 20 30 GHEDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000266511570 909202539 /nfs/dbraw/zinc/20/25/39/909202539.db2.gz XOJQWYJILOBQAK-DLBZAZTESA-N 1 0 381.476 3.690 20 30 GHEDRO Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000266572435 909220156 /nfs/dbraw/zinc/22/01/56/909220156.db2.gz LJWJHRILRVHTLR-UHFFFAOYSA-N 1 0 390.487 3.546 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000267267574 909433219 /nfs/dbraw/zinc/43/32/19/909433219.db2.gz DRWFQPCFSZIZEU-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1C#N ZINC001179328396 909490086 /nfs/dbraw/zinc/49/00/86/909490086.db2.gz RBRQUHNICJJHDP-AXUOBQJMSA-N 1 0 385.508 3.833 20 30 GHEDRO COc1ccc(OCc2nc(C[NH2+][C@@H]3Cc4ccc(C#N)cc4C3)cs2)cc1 ZINC001179419875 909531325 /nfs/dbraw/zinc/53/13/25/909531325.db2.gz VUJHXEFWBXHKMM-GOSISDBHSA-N 1 0 391.496 3.859 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000246417578 910289856 /nfs/dbraw/zinc/28/98/56/910289856.db2.gz BWIZYFSGAGXAGW-FCHUYYIVSA-N 1 0 395.478 3.660 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccc(C)cc2)c(C)s1 ZINC000269693742 910336733 /nfs/dbraw/zinc/33/67/33/910336733.db2.gz JMLFOZUJCMBGAI-INIZCTEOSA-O 1 0 389.566 3.526 20 30 GHEDRO C=CCN1CCN(C(=O)C[C@@]2(CC)OCCc3c4cccc(CC)c4[nH]c32)CC1 ZINC001180823719 910363538 /nfs/dbraw/zinc/36/35/38/910363538.db2.gz KPYNRBAKXABBJC-XMMPIXPASA-N 1 0 395.547 3.629 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1C#N ZINC000269873747 910373389 /nfs/dbraw/zinc/37/33/89/910373389.db2.gz YWWQFUILRRLQPQ-UHFFFAOYSA-N 1 0 395.463 3.510 20 30 GHEDRO C#CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1)c1ccccc1 ZINC000270264500 910500369 /nfs/dbraw/zinc/50/03/69/910500369.db2.gz WMTDCCUDLHTTFD-NQIIRXRSSA-N 1 0 394.515 3.795 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)CC2CCS(=O)(=O)CC2)cc1 ZINC000270410121 910553753 /nfs/dbraw/zinc/55/37/53/910553753.db2.gz DPOIPVCOZCRHEO-UHFFFAOYSA-N 1 0 386.492 3.524 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccccc2)ccc1F ZINC000270434934 910563815 /nfs/dbraw/zinc/56/38/15/910563815.db2.gz PNPJLZRMALJZPZ-KRWDZBQOSA-O 1 0 387.500 3.519 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccccc2)ccc1F ZINC000270434936 910564078 /nfs/dbraw/zinc/56/40/78/910564078.db2.gz PNPJLZRMALJZPZ-QGZVFWFLSA-O 1 0 387.500 3.519 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 ZINC001181181640 910593913 /nfs/dbraw/zinc/59/39/13/910593913.db2.gz ACQQJPKJJBWWJA-UHFFFAOYSA-N 1 0 383.442 3.502 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N[C@H]2CC[C@H](C#N)CC2)C1 ZINC001181344202 910712729 /nfs/dbraw/zinc/71/27/29/910712729.db2.gz BLFCLCBYKCEGTM-OYSPMZIOSA-N 1 0 389.490 3.977 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000270984047 910748726 /nfs/dbraw/zinc/74/87/26/910748726.db2.gz XPQCYCNPCSUXFK-UHFFFAOYSA-N 1 0 393.497 3.547 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000246935974 910774111 /nfs/dbraw/zinc/77/41/11/910774111.db2.gz HKFVMXZTZWAGMY-JKSUJKDBSA-N 1 0 389.594 3.702 20 30 GHEDRO Cc1c(F)cccc1CC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181709740 910925918 /nfs/dbraw/zinc/92/59/18/910925918.db2.gz VNKPHKZWSQBCMQ-MEMLXQNLSA-N 1 0 379.479 3.847 20 30 GHEDRO O=C(C#Cc1ccc(Cl)cc1)N1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001274583442 910993818 /nfs/dbraw/zinc/99/38/18/910993818.db2.gz DVOMOCPMRRXKFT-UHFFFAOYSA-N 1 0 384.829 3.568 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC001181867005 911048620 /nfs/dbraw/zinc/04/86/20/911048620.db2.gz BDYJOJLQAQWWDM-UHFFFAOYSA-N 1 0 397.519 3.658 20 30 GHEDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773957130 911094788 /nfs/dbraw/zinc/09/47/88/911094788.db2.gz JRNYHGIBHXHGOI-VGSWGCGISA-N 1 0 378.476 3.505 20 30 GHEDRO COC(=O)c1scc(C#N)c1NC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182039035 911141431 /nfs/dbraw/zinc/14/14/31/911141431.db2.gz RONIRBAEOQTPAQ-UHFFFAOYSA-N 1 0 397.500 3.647 20 30 GHEDRO C#CCCCCCCCCC(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001182186239 911231819 /nfs/dbraw/zinc/23/18/19/911231819.db2.gz CKOGCQPOIRZOBS-UHFFFAOYSA-N 1 0 386.540 3.633 20 30 GHEDRO COCC[N@H+](C)[C@H](CNC(=O)CCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001182348261 911523457 /nfs/dbraw/zinc/52/34/57/911523457.db2.gz OYVUMIUQJQKZIZ-OAQYLSRUSA-N 1 0 399.922 3.580 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000642086153 911735866 /nfs/dbraw/zinc/73/58/66/911735866.db2.gz FBIZZEOOGHUJOY-UHFFFAOYSA-N 1 0 383.495 3.719 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000801956054 921681925 /nfs/dbraw/zinc/68/19/25/921681925.db2.gz UFSWTGXYWJSVBP-CTNGQTDRSA-N 1 0 389.421 3.931 20 30 GHEDRO C=CCc1ccc(OCC(=O)Nc2cc(C[NH+](C)C)ccc2OC)c(OC)c1 ZINC000642213737 911869977 /nfs/dbraw/zinc/86/99/77/911869977.db2.gz METMMYDFLASQRW-UHFFFAOYSA-N 1 0 384.476 3.511 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(Cl)nc1NC(=O)OC(C)(C)C ZINC001183039545 912211189 /nfs/dbraw/zinc/21/11/89/912211189.db2.gz RFBRMBNBYPZILO-UHFFFAOYSA-N 1 0 380.876 3.673 20 30 GHEDRO C#Cc1cc(NC(=O)C[C@H]2C[N@H+](C(c3ccccc3)c3ccccc3)[C@@H]2C)ccn1 ZINC001186933650 914882094 /nfs/dbraw/zinc/88/20/94/914882094.db2.gz DFWWFJHQAFBYJU-KNQAVFIVSA-N 1 0 395.506 3.923 20 30 GHEDRO C[C@H]1[C@@H](CC(=O)Nc2cn(C)nc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186938125 914884617 /nfs/dbraw/zinc/88/46/17/914884617.db2.gz WCEIRZKVORCKRU-PXNSSMCTSA-N 1 0 399.498 3.730 20 30 GHEDRO COC(=O)c1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000303712324 915070041 /nfs/dbraw/zinc/07/00/41/915070041.db2.gz PXMSKLOLQUGNIV-LLVKDONJSA-N 1 0 380.275 3.946 20 30 GHEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)N(C)C)cc1OC ZINC000303775001 915120555 /nfs/dbraw/zinc/12/05/55/915120555.db2.gz GLWKVNFKTFJBPD-IBGZPJMESA-N 1 0 384.524 3.857 20 30 GHEDRO [NH2+]=C(NCc1csc(-c2ccccc2)n1)Nc1ccc2c(c1)OCCCO2 ZINC000303782213 915125881 /nfs/dbraw/zinc/12/58/81/915125881.db2.gz MXCRLUVFGWPICJ-UHFFFAOYSA-N 1 0 380.473 3.898 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(Oc3cccnc3)c(F)c2)cc1OC ZINC000303863836 915223076 /nfs/dbraw/zinc/22/30/76/915223076.db2.gz AOUWSMXGFXWYJY-UHFFFAOYSA-N 1 0 396.422 3.957 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cc(F)cc(Br)c2)c1 ZINC000303867167 915225548 /nfs/dbraw/zinc/22/55/48/915225548.db2.gz CSARBKHBOWIJSW-UHFFFAOYSA-N 1 0 382.233 3.532 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCNC(=O)c1ccccc1F)c1ccc(Cl)cc1Cl ZINC000303870116 915228329 /nfs/dbraw/zinc/22/83/29/915228329.db2.gz FGFNRFHGVTXXKA-LLVKDONJSA-N 1 0 397.281 3.528 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCCCOc2ccc(Cl)cc2C)cc1OC ZINC000303871099 915229524 /nfs/dbraw/zinc/22/95/24/915229524.db2.gz FRNYZMRRZBLWMY-UHFFFAOYSA-N 1 0 391.899 3.539 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1 ZINC000303872181 915230966 /nfs/dbraw/zinc/23/09/66/915230966.db2.gz BVVARGJFHGGJOR-UHFFFAOYSA-N 1 0 378.520 3.861 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1C ZINC000303879040 915237917 /nfs/dbraw/zinc/23/79/17/915237917.db2.gz GKDARCYVMMXRJF-FQEVSTJZSA-N 1 0 386.927 3.757 20 30 GHEDRO [NH2+]=C(NC[C@H](O)COc1cccc(Cl)c1Cl)Nc1ccc2c(c1)CCC2 ZINC000303882916 915296631 /nfs/dbraw/zinc/29/66/31/915296631.db2.gz LZMSIJJXZAWASV-HNNXBMFYSA-N 1 0 394.302 3.649 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000303888274 915298149 /nfs/dbraw/zinc/29/81/49/915298149.db2.gz OUSCXZPLHMXFJS-FQEVSTJZSA-N 1 0 380.492 3.854 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000303888275 915298627 /nfs/dbraw/zinc/29/86/27/915298627.db2.gz OUSCXZPLHMXFJS-HXUWFJFHSA-N 1 0 380.492 3.854 20 30 GHEDRO C[C@H](NC(=[NH2+])N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000303900247 915303202 /nfs/dbraw/zinc/30/32/02/915303202.db2.gz WRFGJFNNMGPEEY-ONGXEEELSA-N 1 0 383.245 3.595 20 30 GHEDRO Cc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)N2CCOCC2)c1 ZINC000303898890 915303466 /nfs/dbraw/zinc/30/34/66/915303466.db2.gz RISSMHJRAYJNCX-QFIPXVFZSA-N 1 0 396.535 3.582 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000303906172 915306814 /nfs/dbraw/zinc/30/68/14/915306814.db2.gz ZTJKWLSNHHDEEY-KRWDZBQOSA-N 1 0 396.535 3.657 20 30 GHEDRO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ccc(-c4cccs4)s3)C2)OCC1=O ZINC001275620301 915362069 /nfs/dbraw/zinc/36/20/69/915362069.db2.gz UHHDYWNGQWIZSQ-HXUWFJFHSA-N 1 0 388.558 3.856 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304482166 915523488 /nfs/dbraw/zinc/52/34/88/915523488.db2.gz ITQDPMWUPBCIOG-NRFANRHFSA-N 1 0 389.503 3.541 20 30 GHEDRO [NH2+]=C(NCCS(=O)(=O)c1ccccc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304492510 915525362 /nfs/dbraw/zinc/52/53/62/915525362.db2.gz MGUZVDJHUUEMAG-UHFFFAOYSA-N 1 0 395.484 3.679 20 30 GHEDRO COc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1OC1CCCC1 ZINC000304506704 915526415 /nfs/dbraw/zinc/52/64/15/915526415.db2.gz RFNBJTWACGJMPQ-IBGZPJMESA-N 1 0 395.503 3.945 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1ccccc1CN1CC[NH+](C)CC1 ZINC001188013275 915705597 /nfs/dbraw/zinc/70/55/97/915705597.db2.gz SCDSRANWTBENTE-UHFFFAOYSA-N 1 0 381.586 3.536 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1OCCc2sccc21 ZINC000292518491 915721001 /nfs/dbraw/zinc/72/10/01/915721001.db2.gz WCXMMHWOLDPKCW-ADLMAVQZSA-N 1 0 375.881 3.504 20 30 GHEDRO CC(C)c1csc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000305069671 915883455 /nfs/dbraw/zinc/88/34/55/915883455.db2.gz NWTUZJGCRLOBDC-UHFFFAOYSA-N 1 0 377.945 3.557 20 30 GHEDRO COc1cccc(O[C@@H](C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305239584 916012829 /nfs/dbraw/zinc/01/28/29/916012829.db2.gz QBTCPOWNWQFPDL-LBPRGKRZSA-N 1 0 383.370 3.788 20 30 GHEDRO COc1cccc(OCCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305240815 916029849 /nfs/dbraw/zinc/02/98/49/916029849.db2.gz RHILNMNCHZKDPW-UHFFFAOYSA-N 1 0 383.370 3.790 20 30 GHEDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1OCC#N ZINC000796391544 916361322 /nfs/dbraw/zinc/36/13/22/916361322.db2.gz LRMHFQIDGIJPAQ-UHFFFAOYSA-N 1 0 382.851 3.967 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001189084062 916395320 /nfs/dbraw/zinc/39/53/20/916395320.db2.gz FAPYKVXXSRBBOR-RTWAWAEBSA-N 1 0 389.499 3.551 20 30 GHEDRO CCCCCCCCC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000360976756 916420182 /nfs/dbraw/zinc/42/01/82/916420182.db2.gz HSLMGEPEDOOWFE-UHFFFAOYSA-N 1 0 393.616 3.918 20 30 GHEDRO Cn1cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(-c2ccccc2)n1 ZINC000305815625 916454046 /nfs/dbraw/zinc/45/40/46/916454046.db2.gz MCRSRLZLGOPEHQ-UHFFFAOYSA-N 1 0 389.381 3.913 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCc1cccc(Br)c1 ZINC001275751632 916873371 /nfs/dbraw/zinc/87/33/71/916873371.db2.gz DAZNPOFGABANNL-QZTJIDSGSA-N 1 0 377.326 3.633 20 30 GHEDRO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CCc1ccccc1Br)CC2 ZINC001275756669 916936556 /nfs/dbraw/zinc/93/65/56/916936556.db2.gz LKDMWENHCWJJGV-KRWDZBQOSA-N 1 0 391.353 3.786 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3cc(F)c(Cl)c(C#N)c3Cl)CC2)CC1 ZINC001189839681 916970546 /nfs/dbraw/zinc/97/05/46/916970546.db2.gz ZNACUTDXFFZPPN-UHFFFAOYSA-N 1 0 384.282 3.952 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000294786373 916978780 /nfs/dbraw/zinc/97/87/80/916978780.db2.gz ALEHWOZFKFVMEQ-UHFFFAOYSA-N 1 0 394.515 3.637 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC)C2)ccc1OC ZINC000775348848 917111098 /nfs/dbraw/zinc/11/10/98/917111098.db2.gz YUOIZVMEKCCZCD-WMZOPIPTSA-N 1 0 376.497 3.607 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775356356 917146059 /nfs/dbraw/zinc/14/60/59/917146059.db2.gz IUFIVWICYYJLNO-MRXNPFEDSA-N 1 0 383.467 3.540 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC2(CC1)C(F)(F)C2(F)F)C(C)C ZINC000650667238 917219695 /nfs/dbraw/zinc/21/96/95/917219695.db2.gz LIZBITZDCMMUNA-HNNXBMFYSA-N 1 0 391.453 3.761 20 30 GHEDRO N#C[C@@]1(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CCCC2 ZINC000295292528 917254052 /nfs/dbraw/zinc/25/40/52/917254052.db2.gz JJGGBOCLFZIOIB-XMMPIXPASA-N 1 0 377.532 3.975 20 30 GHEDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001190339458 917270169 /nfs/dbraw/zinc/27/01/69/917270169.db2.gz GVMOLUSFKFGFFS-SOUVJXGZSA-N 1 0 375.538 3.572 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC001190347735 917275824 /nfs/dbraw/zinc/27/58/24/917275824.db2.gz FHEGYGSKIFMXDA-UGKGYDQZSA-N 1 0 387.524 3.531 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)c2cccc(C#N)c2F)cc1 ZINC001190545450 917401773 /nfs/dbraw/zinc/40/17/73/917401773.db2.gz PZXCFWLAVPTUHH-LJQANCHMSA-N 1 0 395.478 3.833 20 30 GHEDRO N#Cc1cccc(C(=O)N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c1F ZINC001190555576 917407314 /nfs/dbraw/zinc/40/73/14/917407314.db2.gz ZOFOLYDTCZFMMK-RRIIRSAJSA-N 1 0 377.463 3.966 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1ccccc1 ZINC000775403012 917473035 /nfs/dbraw/zinc/47/30/35/917473035.db2.gz DXAWYGFLFYUGQZ-LJQANCHMSA-N 1 0 385.305 3.762 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)c1 ZINC001190928143 917643406 /nfs/dbraw/zinc/64/34/06/917643406.db2.gz IZZMTXNOLKCJPE-IEBWSBKVSA-N 1 0 394.544 3.681 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000295962577 917667924 /nfs/dbraw/zinc/66/79/24/917667924.db2.gz NBQJLTAUZUJJOH-OAQYLSRUSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(I)cc2)CC1 ZINC001191013811 917707064 /nfs/dbraw/zinc/70/70/64/917707064.db2.gz ONIBOSGEXUGQQH-GFCCVEGCSA-N 1 0 384.261 3.516 20 30 GHEDRO CCCCCCCCNC(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001191059606 917729204 /nfs/dbraw/zinc/72/92/04/917729204.db2.gz HWTZNCUGLBBWME-IFMALSPDSA-N 1 0 379.589 3.737 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652609672 917951652 /nfs/dbraw/zinc/95/16/52/917951652.db2.gz VZBOQKACVUKUGG-UGSOOPFHSA-N 1 0 394.313 3.607 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001191375140 917979592 /nfs/dbraw/zinc/97/95/92/917979592.db2.gz NTJVHSHHCYYZMC-YLJYHZDGSA-N 1 0 399.535 3.622 20 30 GHEDRO N#Cc1cc(C(=O)N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001191547290 918065775 /nfs/dbraw/zinc/06/57/75/918065775.db2.gz IHOHKAKEKPYXAR-DEOSSOPVSA-N 1 0 396.494 3.870 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)CC1 ZINC000796600394 918792643 /nfs/dbraw/zinc/79/26/43/918792643.db2.gz APMUZPMSBZRYPF-IBGZPJMESA-N 1 0 376.500 3.725 20 30 GHEDRO Cc1ccccc1NC(=O)[C@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000113249854 919364840 /nfs/dbraw/zinc/36/48/40/919364840.db2.gz TXZCOMSNAVYQQV-SFHVURJKSA-N 1 0 394.519 3.645 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3Br)C2)C1=O ZINC001275902484 919426406 /nfs/dbraw/zinc/42/64/06/919426406.db2.gz DYKFPIDNXPOTBR-QGZVFWFLSA-N 1 0 383.717 3.713 20 30 GHEDRO CCCN(CC)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000116103911 919497767 /nfs/dbraw/zinc/49/77/67/919497767.db2.gz XQTAMLKJLCESDN-UHFFFAOYSA-N 1 0 392.547 3.999 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000119862917 919662254 /nfs/dbraw/zinc/66/22/54/919662254.db2.gz WEEFVTULQHXUJC-XXBNENTESA-N 1 0 391.515 3.744 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2Nc2ccccc2OC)CC1 ZINC000800501496 920194263 /nfs/dbraw/zinc/19/42/63/920194263.db2.gz RQONGWWZQLTYHC-UHFFFAOYSA-N 1 0 377.488 3.656 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[C@@H](C)C1 ZINC000298377678 920465151 /nfs/dbraw/zinc/46/51/51/920465151.db2.gz DGXLEEYCPGLUJL-QLFBSQMISA-N 1 0 375.538 3.572 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(Br)c(C)c3)C2)C1=O ZINC001275976582 920585067 /nfs/dbraw/zinc/58/50/67/920585067.db2.gz FQLSOJUIBAHGEE-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO C[C@@]1(CNC(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000801060065 920748027 /nfs/dbraw/zinc/74/80/27/920748027.db2.gz ABXKGPAJTIVUDJ-QFIPXVFZSA-N 1 0 396.922 3.923 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000298692755 920815968 /nfs/dbraw/zinc/81/59/68/920815968.db2.gz ZNFXKOXZLZBNME-KRWDZBQOSA-N 1 0 392.286 3.907 20 30 GHEDRO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H]1C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298800242 920941483 /nfs/dbraw/zinc/94/14/83/920941483.db2.gz NOVQEUXHDOGYDO-MJGOQNOKSA-N 1 0 378.476 3.556 20 30 GHEDRO N#CC(CC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)(c1ccccc1)c1ccccc1 ZINC000365638821 921038605 /nfs/dbraw/zinc/03/86/05/921038605.db2.gz WWBRNMRQRWPRBB-REWPJTCUSA-N 1 0 387.527 3.877 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(CCC#N)cc1 ZINC000902925248 922606840 /nfs/dbraw/zinc/60/68/40/922606840.db2.gz IJXAKQIPAIBDGV-UHFFFAOYSA-N 1 0 377.492 3.847 20 30 GHEDRO C=CCC[C@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000368738779 922837099 /nfs/dbraw/zinc/83/70/99/922837099.db2.gz CDTUVJGJNHQROS-QFIPXVFZSA-N 1 0 383.580 3.613 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cnn(CC2CCC2)c1 ZINC000903196345 922844519 /nfs/dbraw/zinc/84/45/19/922844519.db2.gz MQWYYTHSSFPIFB-SFHVURJKSA-N 1 0 377.536 3.870 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000368820218 922896237 /nfs/dbraw/zinc/89/62/37/922896237.db2.gz CHPDYIYREUYGQS-IRXDYDNUSA-N 1 0 387.549 3.768 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000903280104 922905030 /nfs/dbraw/zinc/90/50/30/922905030.db2.gz SJERWLJMFAKQLN-MVBSBMPBSA-N 1 0 391.556 3.853 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C1CCCCCCC1 ZINC000748806248 923839260 /nfs/dbraw/zinc/83/92/60/923839260.db2.gz UZUDPVQMWQQRTA-UHFFFAOYSA-N 1 0 388.556 3.996 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000370899285 924344222 /nfs/dbraw/zinc/34/42/22/924344222.db2.gz LSWJVKDCXCAISH-FGZHOGPDSA-N 1 0 384.568 3.504 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000409647650 924852940 /nfs/dbraw/zinc/85/29/40/924852940.db2.gz CLOGOFVYCKIHIJ-QGZVFWFLSA-N 1 0 387.487 3.603 20 30 GHEDRO C=CCC1([NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)CCOCC1 ZINC000827146608 924897343 /nfs/dbraw/zinc/89/73/43/924897343.db2.gz HIALYXJGRWOCQX-GOSISDBHSA-N 1 0 384.520 3.946 20 30 GHEDRO C[C@@]1(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000409956623 925169721 /nfs/dbraw/zinc/16/97/21/925169721.db2.gz NNZWBEAHWGYFFH-DEOSSOPVSA-N 1 0 399.498 3.528 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(Cl)nc1F)CC2 ZINC001137470767 925936985 /nfs/dbraw/zinc/93/69/85/925936985.db2.gz KCAZTGPYACIMRI-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000133036328 926038854 /nfs/dbraw/zinc/03/88/54/926038854.db2.gz ASNUKKIJVGZCJB-LAUBAEHRSA-N 1 0 380.488 3.739 20 30 GHEDRO C#CC[N@H+](CC1CCC(=O)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000827812801 926042403 /nfs/dbraw/zinc/04/24/03/926042403.db2.gz AUDNBKMDSOVSPA-SFHVURJKSA-N 1 0 376.294 3.967 20 30 GHEDRO COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000411146311 926119554 /nfs/dbraw/zinc/11/95/54/926119554.db2.gz XOPJWVKFUHUZKT-ZRBLBEILSA-N 1 0 389.499 3.624 20 30 GHEDRO CC[C@@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000411508036 926474244 /nfs/dbraw/zinc/47/42/44/926474244.db2.gz SUJLHGMTQPQALW-KRWDZBQOSA-N 1 0 397.544 3.710 20 30 GHEDRO C#Cc1cccc(NC(=S)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)c1 ZINC000726481691 926698183 /nfs/dbraw/zinc/69/81/83/926698183.db2.gz VUOSUHJCFSYPRH-OAQYLSRUSA-N 1 0 378.545 3.746 20 30 GHEDRO CN(c1ccccc1CN=Nc1nc(-c2ccccc2)no1)C1CC[NH+](C)CC1 ZINC000726738507 926823183 /nfs/dbraw/zinc/82/31/83/926823183.db2.gz VMQHYJALHRIIAS-UHFFFAOYSA-N 1 0 390.491 3.713 20 30 GHEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000374216208 926905435 /nfs/dbraw/zinc/90/54/35/926905435.db2.gz GDFAHAKAZVLZFH-VSKRKVRLSA-N 1 0 388.515 3.679 20 30 GHEDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000411962187 926949697 /nfs/dbraw/zinc/94/96/97/926949697.db2.gz AZESYQDDSNBYDH-ZHRRBRCNSA-N 1 0 386.540 3.823 20 30 GHEDRO C#Cc1ccc(C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)nc1 ZINC000749448478 927109249 /nfs/dbraw/zinc/10/92/49/927109249.db2.gz VERINUWGISBSDE-UHFFFAOYSA-N 1 0 383.495 3.837 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)o2)c1 ZINC000749503629 927155755 /nfs/dbraw/zinc/15/57/55/927155755.db2.gz NEAUKJPZFZUDRR-PMACEKPBSA-N 1 0 392.434 3.835 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000374462697 927170842 /nfs/dbraw/zinc/17/08/42/927170842.db2.gz NSQSTVNVRAWKOO-UHFFFAOYSA-N 1 0 376.504 3.621 20 30 GHEDRO C=C(C)[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)c(F)c1 ZINC000412263440 927271446 /nfs/dbraw/zinc/27/14/46/927271446.db2.gz YEYWMXNIRAMTHN-LPHOPBHVSA-N 1 0 380.504 3.916 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC000412335051 927346156 /nfs/dbraw/zinc/34/61/56/927346156.db2.gz HHZKIHDPGXHRCX-LEWJYISDSA-N 1 0 390.487 3.581 20 30 GHEDRO COc1cccc([C@@H](C)CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000374877133 927641125 /nfs/dbraw/zinc/64/11/25/927641125.db2.gz DLGJCIVUTZMUQR-IBGZPJMESA-N 1 0 391.515 3.863 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000750597125 927740731 /nfs/dbraw/zinc/74/07/31/927740731.db2.gz DKGOVIIAWXLUEX-PGRDOPGGSA-N 1 0 377.488 3.731 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000751599436 928268790 /nfs/dbraw/zinc/26/87/90/928268790.db2.gz QTPIKTIRHMDPPQ-SFHVURJKSA-N 1 0 387.549 3.932 20 30 GHEDRO CC[C@H](Cc1cccc(Br)c1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000467157778 928770459 /nfs/dbraw/zinc/77/04/59/928770459.db2.gz JJFYEUUWNKQVIE-QGZVFWFLSA-N 1 0 394.357 3.712 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC[N@H+](CCCc3ccc(Cl)c(Cl)c3)C2)OCC1=O ZINC001276277292 929183115 /nfs/dbraw/zinc/18/31/15/929183115.db2.gz XGDWHAOIUMTAKV-FQEVSTJZSA-N 1 0 397.346 3.805 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](CCCc3ccccc3Br)C2)C1=O ZINC001276279716 929245162 /nfs/dbraw/zinc/24/51/62/929245162.db2.gz AFWKCOBWEXTSSL-HXUWFJFHSA-N 1 0 391.353 3.882 20 30 GHEDRO CCOC(=O)Nc1ccc(NCc2cn(-c3cc[nH+]cc3)nc2C)cc1C#N ZINC000753569092 929423994 /nfs/dbraw/zinc/42/39/94/929423994.db2.gz FCJXUUDFGWIJFC-UHFFFAOYSA-N 1 0 376.420 3.628 20 30 GHEDRO COc1ccc2c(c1)C[C@H]([NH2+]C1CCC(Oc3ccc(C#N)cn3)CC1)CC2 ZINC000545899085 929654431 /nfs/dbraw/zinc/65/44/31/929654431.db2.gz ZGMNAYVUXWWMEK-NYLDSWQDSA-N 1 0 377.488 3.799 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000757797710 929803830 /nfs/dbraw/zinc/80/38/30/929803830.db2.gz ZOHDRHOBSHUXEP-MGPUTAFESA-N 1 0 376.460 3.955 20 30 GHEDRO C=C[C@@H](Cc1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1)c1ccccc1 ZINC000546398899 930124904 /nfs/dbraw/zinc/12/49/04/930124904.db2.gz ZLELXQOHHLSDQN-SFHVURJKSA-N 1 0 389.503 3.786 20 30 GHEDRO C=CCSc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000469856559 930210088 /nfs/dbraw/zinc/21/00/88/930210088.db2.gz OKUVCSVKURZTAO-HXUWFJFHSA-N 1 0 396.556 3.986 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000469880386 930231877 /nfs/dbraw/zinc/23/18/77/930231877.db2.gz IZLJCUOHXDDFSJ-ZOBUZTSGSA-N 1 0 395.341 3.582 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cccc(OC(F)F)c1)[n+]1ccc(CC)cc1 ZINC000759050962 930258301 /nfs/dbraw/zinc/25/83/01/930258301.db2.gz OHJSHTPFXBDKOU-UHFFFAOYSA-O 1 0 389.447 3.572 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000759063969 930261661 /nfs/dbraw/zinc/26/16/61/930261661.db2.gz RMKIFWMOLUOAHO-UHFFFAOYSA-O 1 0 381.521 3.714 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)C2CC[NH2+]CC2)cc1OCC ZINC000470017910 930318849 /nfs/dbraw/zinc/31/88/49/930318849.db2.gz LMDZQDSJMSOGGI-UHFFFAOYSA-N 1 0 383.330 3.596 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000780579550 930551858 /nfs/dbraw/zinc/55/18/58/930551858.db2.gz DAYYROPOTYGRCN-CXAGYDPISA-N 1 0 375.818 3.925 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000780745580 930589986 /nfs/dbraw/zinc/58/99/86/930589986.db2.gz RKYRFJKGDPFVGR-YADHBBJMSA-N 1 0 376.504 3.861 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000780745578 930590093 /nfs/dbraw/zinc/59/00/93/930590093.db2.gz RKYRFJKGDPFVGR-FGZHOGPDSA-N 1 0 376.504 3.861 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000780904309 930634176 /nfs/dbraw/zinc/63/41/76/930634176.db2.gz CDASJJBXUYDIRB-HSZRJFAPSA-N 1 0 391.515 3.673 20 30 GHEDRO c1ccc(C[N@@H+]2C[C@H]3CCCC(N=Nc4nc(-c5ccncc5)no4)[C@@H]3C2)cc1 ZINC000781123113 930707984 /nfs/dbraw/zinc/70/79/84/930707984.db2.gz WHPQXODUPYSSRN-RTBURBONSA-N 1 0 388.475 3.832 20 30 GHEDRO CC[C@@H]1C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@@H]1c1ccccc1 ZINC000470896731 931010294 /nfs/dbraw/zinc/01/02/94/931010294.db2.gz IDECVVRXEQPNSH-COPCDDAFSA-N 1 0 387.483 3.706 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000557273762 931315007 /nfs/dbraw/zinc/31/50/07/931315007.db2.gz SNVKMJWBPHFQIP-UHFFFAOYSA-N 1 0 398.595 3.678 20 30 GHEDRO Cc1ccccc1[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CCC(C)CC1 ZINC000782768876 931330497 /nfs/dbraw/zinc/33/04/97/931330497.db2.gz AZHZHINMGHDSJX-PRZANXNFSA-N 1 0 381.520 3.978 20 30 GHEDRO CCOCOc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000782963292 931376259 /nfs/dbraw/zinc/37/62/59/931376259.db2.gz NHRMAPBCDMXOQC-UHFFFAOYSA-N 1 0 381.476 3.806 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000783299188 931514561 /nfs/dbraw/zinc/51/45/61/931514561.db2.gz AEPDTMXMHQVLNW-NHCUHLMSSA-N 1 0 392.503 3.836 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000558014005 931801468 /nfs/dbraw/zinc/80/14/68/931801468.db2.gz QXBZWLIONDABKB-TZIWHRDSSA-N 1 0 379.589 3.901 20 30 GHEDRO Cc1ncc(CC[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000925574312 931827468 /nfs/dbraw/zinc/82/74/68/931827468.db2.gz ABNAPQLAWRDJKK-OAHLLOKOSA-N 1 0 392.569 3.903 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC ZINC000558208643 931884782 /nfs/dbraw/zinc/88/47/82/931884782.db2.gz CGIDPUJVOQJMKT-KRWDZBQOSA-N 1 0 396.539 3.938 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784488971 931911841 /nfs/dbraw/zinc/91/18/41/931911841.db2.gz YNKCHKSXGFLBBT-IDHHARJASA-N 1 0 381.442 3.938 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCOc3ccccc3C#N)C[C@@H]21 ZINC000784512538 931920105 /nfs/dbraw/zinc/92/01/05/931920105.db2.gz QUAQCWCQAFADQE-GBESFXJTSA-N 1 0 385.508 3.562 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000558316381 931937578 /nfs/dbraw/zinc/93/75/78/931937578.db2.gz PIBVFTXRKQKSCK-LAUBAEHRSA-N 1 0 394.519 3.724 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000558321287 931940674 /nfs/dbraw/zinc/94/06/74/931940674.db2.gz BKIABCWIHAEMGT-QHCPKHFHSA-N 1 0 390.487 3.697 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925901885 931948654 /nfs/dbraw/zinc/94/86/54/931948654.db2.gz NTEACTZJMZFMPA-SFHVURJKSA-N 1 0 381.480 3.555 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796758422 932055967 /nfs/dbraw/zinc/05/59/67/932055967.db2.gz FEVCPJJSYBWZPZ-HXUWFJFHSA-N 1 0 384.524 3.516 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000558664010 932149690 /nfs/dbraw/zinc/14/96/90/932149690.db2.gz AXJLOFSXMLLQNK-HXUWFJFHSA-N 1 0 394.567 3.927 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000558718261 932190661 /nfs/dbraw/zinc/19/06/61/932190661.db2.gz MFMIKOHEMBEKKB-UHFFFAOYSA-N 1 0 376.909 3.553 20 30 GHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000926523160 932216206 /nfs/dbraw/zinc/21/62/06/932216206.db2.gz BPWYYXGIJIZTJM-IRXDYDNUSA-N 1 0 391.581 3.533 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(O)c(OC)c1 ZINC000797420594 932277197 /nfs/dbraw/zinc/27/71/97/932277197.db2.gz UBIFXJHPRIKQEN-GOSISDBHSA-N 1 0 380.488 3.614 20 30 GHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000926831584 932321581 /nfs/dbraw/zinc/32/15/81/932321581.db2.gz DSKYQEISPJURCA-IRXDYDNUSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCC[C@@]12CCCO2 ZINC000926862212 932329823 /nfs/dbraw/zinc/32/98/23/932329823.db2.gz WNNTYJJVDGGAMM-JBYIUTFZSA-N 1 0 391.556 3.997 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558984780 932355034 /nfs/dbraw/zinc/35/50/34/932355034.db2.gz FRZPCAHFMVDIEU-NRFANRHFSA-N 1 0 379.552 3.765 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927288646 932484211 /nfs/dbraw/zinc/48/42/11/932484211.db2.gz TUFDBNYIXRBZSL-UHFFFAOYSA-N 1 0 386.496 3.699 20 30 GHEDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000559369274 932633087 /nfs/dbraw/zinc/63/30/87/932633087.db2.gz DVGVMWDGIVYBED-CYBMUJFWSA-N 1 0 386.521 3.756 20 30 GHEDRO CC[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000799145964 932888782 /nfs/dbraw/zinc/88/87/82/932888782.db2.gz RUKNUJXQJBSDCJ-QZTJIDSGSA-N 1 0 379.545 3.712 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000799164498 932895315 /nfs/dbraw/zinc/89/53/15/932895315.db2.gz KMCRWRBDTRIAMA-ZWKOTPCHSA-N 1 0 379.545 3.760 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](c4ccccn4)C3)sc2C1 ZINC000799192768 932908046 /nfs/dbraw/zinc/90/80/46/932908046.db2.gz HIQSSLBWZROHPF-JKSUJKDBSA-N 1 0 394.544 3.958 20 30 GHEDRO Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1C#N ZINC000799327006 932951491 /nfs/dbraw/zinc/95/14/91/932951491.db2.gz KOEMPHNDMBVJKA-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000799361143 932969953 /nfs/dbraw/zinc/96/99/53/932969953.db2.gz SPSBPTAHALCTPK-SFHVURJKSA-N 1 0 387.524 3.954 20 30 GHEDRO COc1ccc(C[N@H+](C2CC2)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000560017176 933020633 /nfs/dbraw/zinc/02/06/33/933020633.db2.gz ACELSGKGZPLVAF-QFIPXVFZSA-N 1 0 375.472 3.727 20 30 GHEDRO COc1cc(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)ccc1C#N ZINC000799734411 933103263 /nfs/dbraw/zinc/10/32/63/933103263.db2.gz DTCHVUXYIMRPAE-SFHVURJKSA-N 1 0 389.293 3.931 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000560166380 933104400 /nfs/dbraw/zinc/10/44/00/933104400.db2.gz MWRHXTNOHHTYFA-IBGZPJMESA-N 1 0 391.515 3.874 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCCn3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000560450453 933265239 /nfs/dbraw/zinc/26/52/39/933265239.db2.gz ITJNWPRUHTVVSD-UHFFFAOYSA-N 1 0 376.460 3.547 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000929944056 933722059 /nfs/dbraw/zinc/72/20/59/933722059.db2.gz ZLFQLFJCWQZVRP-LAUBAEHRSA-N 1 0 376.460 3.827 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)c1 ZINC001117069800 933852510 /nfs/dbraw/zinc/85/25/10/933852510.db2.gz YVNFZILCRDAUQC-INIZCTEOSA-N 1 0 377.271 3.884 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1OC(F)F ZINC001118086220 934088427 /nfs/dbraw/zinc/08/84/27/934088427.db2.gz RQGNAVBIABQZSE-LBPRGKRZSA-N 1 0 377.366 3.978 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]Cc2cccc(OCC(F)(F)F)c2)c1 ZINC001118088216 934088595 /nfs/dbraw/zinc/08/85/95/934088595.db2.gz JNFNSFZVSSIKBB-UHFFFAOYSA-N 1 0 377.366 3.618 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC001119804660 934397341 /nfs/dbraw/zinc/39/73/41/934397341.db2.gz ASYQDPDBEUZJCU-OAQYLSRUSA-N 1 0 388.515 3.677 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC001121418171 934651715 /nfs/dbraw/zinc/65/17/15/934651715.db2.gz MPFAMLRANJUSLR-QWFCFKBJSA-N 1 0 380.540 3.712 20 30 GHEDRO C=CCn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001121473848 934666948 /nfs/dbraw/zinc/66/69/48/934666948.db2.gz KZRZMIACVSMQGX-ZCNNSNEGSA-N 1 0 399.583 3.591 20 30 GHEDRO C=CCn1c(-c2cccc(N3CCCC3)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121679425 934735682 /nfs/dbraw/zinc/73/56/82/934735682.db2.gz HGZCWLWRZMAXPR-UHFFFAOYSA-N 1 0 394.567 3.698 20 30 GHEDRO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001121690693 934740513 /nfs/dbraw/zinc/74/05/13/934740513.db2.gz RHIJNGSPEGPUDA-QGZVFWFLSA-N 1 0 379.499 3.822 20 30 GHEDRO C=CCn1c(-c2ccc3c(O)cccc3c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121721605 934747674 /nfs/dbraw/zinc/74/76/74/934747674.db2.gz PIKBXSCVRLMPQV-UHFFFAOYSA-N 1 0 391.519 3.957 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)C1 ZINC001122079123 934816544 /nfs/dbraw/zinc/81/65/44/934816544.db2.gz OYYJFXPGKFJFTL-TZIWHRDSSA-N 1 0 394.567 3.902 20 30 GHEDRO C=C(C)Cn1c([C@H](OC)C2CC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001122387741 934860040 /nfs/dbraw/zinc/86/00/40/934860040.db2.gz VFAUGSWBCZOFFW-LJQANCHMSA-N 1 0 375.561 3.508 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1C(C#N)(CC)CC ZINC001122434975 934868938 /nfs/dbraw/zinc/86/89/38/934868938.db2.gz MDFQCIJQJOUOAL-IBGZPJMESA-N 1 0 384.572 3.748 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001122489889 934881770 /nfs/dbraw/zinc/88/17/70/934881770.db2.gz ACOJRLDDCJHRLG-LJQANCHMSA-N 1 0 399.539 3.744 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001122549296 934896975 /nfs/dbraw/zinc/89/69/75/934896975.db2.gz AHOFIINAOYRFQP-MJGOQNOKSA-N 1 0 398.555 3.908 20 30 GHEDRO C=CCC[C@@H]1CCCN1c1nnc([C@H]2CCC[N@@H+]2C2CCOCC2)n1CC1CC1 ZINC001123540890 935220966 /nfs/dbraw/zinc/22/09/66/935220966.db2.gz DMGDDIKZPGCKNN-TZIWHRDSSA-N 1 0 399.583 3.939 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(Br)c(C)c1)CC2 ZINC001137614143 935628497 /nfs/dbraw/zinc/62/84/97/935628497.db2.gz LJRMCJBKNKKREL-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)cc1F ZINC001137617138 935631002 /nfs/dbraw/zinc/63/10/02/935631002.db2.gz MHCUFUYVNRDRGT-SFHVURJKSA-N 1 0 381.451 3.530 20 30 GHEDRO COCC[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C#N)cc1Br)C2 ZINC001137635627 935650799 /nfs/dbraw/zinc/65/07/99/935650799.db2.gz NKVYYYRFIATREE-QFBILLFUSA-N 1 0 393.325 3.728 20 30 GHEDRO N#CCOc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000828807608 935715769 /nfs/dbraw/zinc/71/57/69/935715769.db2.gz PLPJVWDYYWQKDC-MXVIHJGJSA-N 1 0 395.459 3.803 20 30 GHEDRO COc1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C#N)c1 ZINC001137703317 935733591 /nfs/dbraw/zinc/73/35/91/935733591.db2.gz JFWMBLJMDVGVKS-IGKWTDBASA-N 1 0 390.531 3.694 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC001573290524 946905651 /nfs/dbraw/zinc/90/56/51/946905651.db2.gz YKYUXSFLMVCGGU-CYWCHRQTSA-N 1 0 387.487 3.727 20 30 GHEDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C[N@@H+]2C1 ZINC001625927719 1014423637 /nfs/dbraw/zinc/42/36/37/1014423637.db2.gz IALJVKYAZDAQNE-HHXXYDBFSA-N 1 0 376.460 3.804 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](C)C1 ZINC001625950168 1014521002 /nfs/dbraw/zinc/52/10/02/1014521002.db2.gz FLAUMHUMSQVUPN-GOSISDBHSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1ccc(NC(=S)NCCCCC[NH+]2CCCC2)c(Br)c1 ZINC001201134875 1014987392 /nfs/dbraw/zinc/98/73/92/1014987392.db2.gz ZNIIJZOTQXHMQI-UHFFFAOYSA-N 1 0 395.370 3.873 20 30 GHEDRO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545516489 1015978216 /nfs/dbraw/zinc/97/82/16/1015978216.db2.gz CBEFJMBQWYHYSQ-NRFANRHFSA-N 1 0 379.504 3.542 20 30 GHEDRO Cc1nc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2s1 ZINC000468866827 1016140089 /nfs/dbraw/zinc/14/00/89/1016140089.db2.gz IBBCBTBTCPCCKF-UHFFFAOYSA-N 1 0 378.501 3.680 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC001220874101 1032164613 /nfs/dbraw/zinc/16/46/13/1032164613.db2.gz MOBMJTNOQZUEPA-IBGZPJMESA-N 1 0 385.552 3.674 20 30 GHEDRO C=C(C)COCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001221770780 1032528966 /nfs/dbraw/zinc/52/89/66/1032528966.db2.gz AZFQRTBOKPYGTD-LJQANCHMSA-N 1 0 379.932 3.586 20 30 GHEDRO C=CCC1(NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CCCC1 ZINC001221873620 1032559478 /nfs/dbraw/zinc/55/94/78/1032559478.db2.gz YVTSVUMBFSVNHM-UHFFFAOYSA-N 1 0 377.573 3.988 20 30 GHEDRO CSc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001204141591 1032599171 /nfs/dbraw/zinc/59/91/71/1032599171.db2.gz UCNQNJLGBYABOP-QFIPXVFZSA-N 1 0 377.513 3.909 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155637087 1032616064 /nfs/dbraw/zinc/61/60/64/1032616064.db2.gz SEECZOIDQWXHAR-BBATYDOGSA-N 1 0 377.275 3.736 20 30 GHEDRO CCOC(=O)c1cc2cc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc2[nH]1 ZINC001227861714 1032652780 /nfs/dbraw/zinc/65/27/80/1032652780.db2.gz SYVKRZLPIOFHKL-HXUWFJFHSA-N 1 0 389.455 3.870 20 30 GHEDRO CO[C@H](C[NH+]1CCN(c2nc(-c3ccncc3)ccc2C#N)CC1)c1ccccc1 ZINC001155720867 1032662236 /nfs/dbraw/zinc/66/22/36/1032662236.db2.gz XUIVKNURPZUNIO-HSZRJFAPSA-N 1 0 399.498 3.525 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1F ZINC001227879731 1032664446 /nfs/dbraw/zinc/66/44/46/1032664446.db2.gz UZQMUMWDSZUDKT-OXFYSEKESA-N 1 0 381.407 3.895 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926568200 1017284517 /nfs/dbraw/zinc/28/45/17/1017284517.db2.gz QVFKIIKMLBHEGJ-KRWDZBQOSA-N 1 0 397.523 3.743 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000558999826 1017333605 /nfs/dbraw/zinc/33/36/05/1017333605.db2.gz RHYHOKKEXAMNNJ-QYZOEREBSA-N 1 0 389.588 3.693 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)ccc(Cl)c3Cl)CC2)C1=O ZINC001276455103 1032720786 /nfs/dbraw/zinc/72/07/86/1032720786.db2.gz FLTLIVBKEMEAPJ-LJQANCHMSA-N 1 0 383.294 3.970 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561186785 1017804333 /nfs/dbraw/zinc/80/43/33/1017804333.db2.gz ZXVZNFMFUCDVQH-LIRRHRJNSA-N 1 0 384.430 3.583 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000561567199 1017890752 /nfs/dbraw/zinc/89/07/52/1017890752.db2.gz CXNWVENTJDUJJG-HNNXBMFYSA-N 1 0 383.458 3.928 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000562049544 1018018210 /nfs/dbraw/zinc/01/82/10/1018018210.db2.gz VARPICDCNMCQEA-ICSRJNTNSA-N 1 0 393.878 3.797 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(C)c4)C(=O)[C@H]3C2)cc1 ZINC001204299444 1032738181 /nfs/dbraw/zinc/73/81/81/1032738181.db2.gz AKVSEJZVWOLHBF-GMAHTHKFSA-N 1 0 376.500 3.650 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cc1 ZINC001204300226 1032741221 /nfs/dbraw/zinc/74/12/21/1032741221.db2.gz KTGLIDLDZZTJDO-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)C(C)C)O3)cc1 ZINC001204301140 1032743000 /nfs/dbraw/zinc/74/30/00/1032743000.db2.gz PCILOTVXJOPNKA-FYYLOGMGSA-N 1 0 386.536 3.537 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC001204300899 1032742236 /nfs/dbraw/zinc/74/22/36/1032742236.db2.gz LKQKLBKMMFIRSZ-XZOQPEGZSA-N 1 0 380.488 3.849 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)cc1 ZINC001204300870 1032742288 /nfs/dbraw/zinc/74/22/88/1032742288.db2.gz WBXKFWUVDCNFMN-UHFFFAOYSA-N 1 0 391.515 3.775 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000932235741 1018153280 /nfs/dbraw/zinc/15/32/80/1018153280.db2.gz UZEZURVXJANZCY-RDJZCZTQSA-N 1 0 382.430 3.535 20 30 GHEDRO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3CCCSCC#N)n1 ZINC000932752181 1018633223 /nfs/dbraw/zinc/63/32/23/1018633223.db2.gz MCDMNZLOXHVUTN-NYTJIUQPSA-N 1 0 393.622 3.988 20 30 GHEDRO N#CC(CC[NH+]1CCC2(CCNC(=O)O2)CC1)(c1ccccc1)c1ccccc1 ZINC000932760900 1018642230 /nfs/dbraw/zinc/64/22/30/1018642230.db2.gz WPDQLFJAVIKIPA-UHFFFAOYSA-N 1 0 389.499 3.851 20 30 GHEDRO Cc1noc(C)c1CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949670 1018780436 /nfs/dbraw/zinc/78/04/36/1018780436.db2.gz PTKNBQQPFTXMKR-PHIMTYICSA-N 1 0 392.290 3.937 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000563371061 1018908135 /nfs/dbraw/zinc/90/81/35/1018908135.db2.gz JBNYHXQFDIJMQC-GOSISDBHSA-N 1 0 386.293 3.548 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)CC2 ZINC000565510007 1019185299 /nfs/dbraw/zinc/18/52/99/1019185299.db2.gz BXNDFNVAOIWEKF-LJQANCHMSA-N 1 0 398.304 3.718 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1C ZINC000566707705 1019245686 /nfs/dbraw/zinc/24/56/86/1019245686.db2.gz WHJZGQOGOATEIL-QHCPKHFHSA-N 1 0 393.531 3.900 20 30 GHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)C(C)C)nnc1-c1cccc(Cl)c1 ZINC000568261244 1019387931 /nfs/dbraw/zinc/38/79/31/1019387931.db2.gz CQRQTJFONZOHHB-INIZCTEOSA-N 1 0 380.945 3.578 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3c(Cl)ccc(OC)c3F)CC2)C1=O ZINC001276461877 1032829728 /nfs/dbraw/zinc/82/97/28/1032829728.db2.gz JQLSFNMYEDOBRS-UHFFFAOYSA-N 1 0 380.891 3.878 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)CC2 ZINC000570011639 1019549283 /nfs/dbraw/zinc/54/92/83/1019549283.db2.gz BGJNPAPJFKJNOY-FOIQADDNSA-N 1 0 385.305 3.749 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCNC(=O)c2ccccc2Cl)c(C(F)(F)F)c1 ZINC000570369009 1019592832 /nfs/dbraw/zinc/59/28/32/1019592832.db2.gz IRMLFCRKTQDSOP-UHFFFAOYSA-N 1 0 381.785 3.750 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000571654059 1019696529 /nfs/dbraw/zinc/69/65/29/1019696529.db2.gz YIMSGLMIDOGPJV-UHFFFAOYSA-N 1 0 385.487 3.859 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c[nH]c4c3cccc4Br)C2)C1=O ZINC001277284889 1032855607 /nfs/dbraw/zinc/85/56/07/1032855607.db2.gz ZJLBCSHZTDMACV-IBGZPJMESA-N 1 0 388.309 3.541 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC2)nc1 ZINC001204431505 1032866723 /nfs/dbraw/zinc/86/67/23/1032866723.db2.gz AMDUYZAQPMQMJT-UHFFFAOYSA-N 1 0 376.382 3.564 20 30 GHEDRO C[C@@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)c1ccc(Br)s1 ZINC001156097842 1032875521 /nfs/dbraw/zinc/87/55/21/1032875521.db2.gz CFNXZNZFRDTHLJ-SNVBAGLBSA-N 1 0 377.311 3.986 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000779030533 1020289702 /nfs/dbraw/zinc/28/97/02/1020289702.db2.gz XCPBYTFPYLPVJB-GOSISDBHSA-N 1 0 375.538 3.781 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](c4cccnc4)C3)sc2C1 ZINC000578319757 1020343760 /nfs/dbraw/zinc/34/37/60/1020343760.db2.gz WWKHDRBFBZSWIH-RDJZCZTQSA-N 1 0 394.544 3.958 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001204506176 1032936718 /nfs/dbraw/zinc/93/67/18/1032936718.db2.gz UOCCAFCAEVGEQW-MRXNPFEDSA-N 1 0 397.910 3.523 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193795215 1020951633 /nfs/dbraw/zinc/95/16/33/1020951633.db2.gz IIQIZSJFKOUQRC-OFNKIYASSA-N 1 0 391.515 3.600 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3-c3cnc(N)nc3)C2)cc1 ZINC001140326539 1021407315 /nfs/dbraw/zinc/40/73/15/1021407315.db2.gz UZMVQPZGVYICRX-OAQYLSRUSA-N 1 0 385.471 3.641 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@H]1CCc3ccccc3OC1)CCCCC2 ZINC000801570808 1021411325 /nfs/dbraw/zinc/41/13/25/1021411325.db2.gz JVRDXOHODJCQKR-INIZCTEOSA-N 1 0 395.528 3.811 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001140439046 1021710083 /nfs/dbraw/zinc/71/00/83/1021710083.db2.gz VPSHNSPIVXXYCO-IBGZPJMESA-N 1 0 394.519 3.966 20 30 GHEDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140439993 1021713275 /nfs/dbraw/zinc/71/32/75/1021713275.db2.gz TVNAAZLZCCKHQI-MRXNPFEDSA-N 1 0 397.475 3.681 20 30 GHEDRO CC[N@H+]1C[C@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@H]2C1 ZINC001140441228 1021715638 /nfs/dbraw/zinc/71/56/38/1021715638.db2.gz HXRJSATURWUQRE-HDICACEKSA-N 1 0 394.519 3.680 20 30 GHEDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc13)C2 ZINC001140441851 1021715802 /nfs/dbraw/zinc/71/58/02/1021715802.db2.gz ZGIHUYVUWIZNKD-WZONZLPQSA-N 1 0 394.519 3.680 20 30 GHEDRO CC[NH+]1C[C@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140441232 1021716285 /nfs/dbraw/zinc/71/62/85/1021716285.db2.gz HXRJSATURWUQRE-ROUUACIJSA-N 1 0 394.519 3.680 20 30 GHEDRO CC(N=Nc1cc(C(F)(F)F)ccn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000834983515 1021752729 /nfs/dbraw/zinc/75/27/29/1021752729.db2.gz AQKAPASVCIATBH-KRWDZBQOSA-N 1 0 378.398 3.789 20 30 GHEDRO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000835063691 1021841811 /nfs/dbraw/zinc/84/18/11/1021841811.db2.gz PDYPUJCLCXGIAI-HXUWFJFHSA-N 1 0 377.488 3.834 20 30 GHEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001140521461 1021913290 /nfs/dbraw/zinc/91/32/90/1021913290.db2.gz QMIFXAVMZMDONS-IBGZPJMESA-N 1 0 383.536 3.589 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)c(C)c(Br)c3)C2)C1=O ZINC001140557403 1021963458 /nfs/dbraw/zinc/96/34/58/1021963458.db2.gz IKKBQELOBZGMJM-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1 ZINC001140601615 1022047210 /nfs/dbraw/zinc/04/72/10/1022047210.db2.gz VIHKJAQEJXIBMR-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO CC(C)NC(=O)c1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001140617837 1022083928 /nfs/dbraw/zinc/08/39/28/1022083928.db2.gz RVLPYJVVTYEZEX-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc3c(cccc3Br)[nH]2)C1 ZINC001228681839 1033041241 /nfs/dbraw/zinc/04/12/41/1033041241.db2.gz LXPSQCYYKCUUML-OAHLLOKOSA-N 1 0 397.276 3.850 20 30 GHEDRO N#Cc1c(F)cc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)cc1F ZINC001140754074 1022439038 /nfs/dbraw/zinc/43/90/38/1022439038.db2.gz OHBOQTXNNYFVBV-UHFFFAOYSA-N 1 0 385.389 3.605 20 30 GHEDRO N#Cc1c(F)cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1F ZINC001140758104 1022449077 /nfs/dbraw/zinc/44/90/77/1022449077.db2.gz ZYRGSAXYNXLMGS-QHCPKHFHSA-N 1 0 393.437 3.737 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1Cl ZINC001140810501 1022597273 /nfs/dbraw/zinc/59/72/73/1022597273.db2.gz ARETVNZEIXBDAI-IBGZPJMESA-N 1 0 383.879 3.809 20 30 GHEDRO COc1ccc(C(C)N=Nc2ccc(C(F)(F)F)nn2)cc1C[NH+]1CCCC1 ZINC000754711131 1022851207 /nfs/dbraw/zinc/85/12/07/1022851207.db2.gz MKUBLPRTRHETFK-UHFFFAOYSA-N 1 0 393.413 3.936 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)c2ccccc2C#N)c1=S ZINC000754758863 1022882786 /nfs/dbraw/zinc/88/27/86/1022882786.db2.gz JARSDGDRFFICTO-UHFFFAOYSA-N 1 0 396.564 3.594 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000755055247 1023049646 /nfs/dbraw/zinc/04/96/46/1023049646.db2.gz JWCWCGGMRKBGNQ-UKRRQHHQSA-N 1 0 394.313 3.667 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc4cccc(O)c4n3)C2)C1 ZINC001141020025 1023229790 /nfs/dbraw/zinc/22/97/90/1023229790.db2.gz WLTLNLSWZOPECB-QFIPXVFZSA-N 1 0 381.476 3.551 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@H]3Cn3cnc4ccccc43)n2)cc1 ZINC000755789427 1023379780 /nfs/dbraw/zinc/37/97/80/1023379780.db2.gz JACCGNCJTXJVTF-HXUWFJFHSA-N 1 0 382.471 3.894 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000756122401 1023529364 /nfs/dbraw/zinc/52/93/64/1023529364.db2.gz QFCMOUSDDXXOHM-ZDUSSCGKSA-N 1 0 395.322 3.796 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1sc(N)c(C#N)c1Cl)C2 ZINC001141112879 1023529409 /nfs/dbraw/zinc/52/94/09/1023529409.db2.gz PUKHQMCIWABPAX-LLVKDONJSA-N 1 0 377.897 3.644 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001141114423 1023531307 /nfs/dbraw/zinc/53/13/07/1023531307.db2.gz OBDNHCKLGFHVPO-QHBPRCKVSA-N 1 0 396.944 3.590 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1Cl ZINC001141114293 1023531526 /nfs/dbraw/zinc/53/15/26/1023531526.db2.gz KTBXSSVPWDYPDC-FQEVSTJZSA-N 1 0 386.952 3.953 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3nc(C#N)c(Cl)cc3Cl)cc2)CC1 ZINC001156658913 1033160378 /nfs/dbraw/zinc/16/03/78/1033160378.db2.gz HLUKXQVUICPCAS-UHFFFAOYSA-N 1 0 376.291 3.624 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ccc(F)cc1C#N)CC2 ZINC001141166101 1023995977 /nfs/dbraw/zinc/99/59/77/1023995977.db2.gz VMOIGCLKNQEDCY-UHFFFAOYSA-N 1 0 378.495 3.969 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(O)ccc1Br)C2 ZINC001138143040 1024223553 /nfs/dbraw/zinc/22/35/53/1024223553.db2.gz WUZFTJYYQMWTMP-OALUTQOASA-N 1 0 396.325 3.728 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(O)ccc1Br)CC2 ZINC001138143871 1024224799 /nfs/dbraw/zinc/22/47/99/1024224799.db2.gz ACVRIDUTOCBPHB-IBGZPJMESA-N 1 0 393.325 3.688 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000830958801 1024273879 /nfs/dbraw/zinc/27/38/79/1024273879.db2.gz XOXOIFGYDPKSRN-BDKRGJGYSA-N 1 0 383.536 3.646 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138170993 1024290160 /nfs/dbraw/zinc/29/01/60/1024290160.db2.gz MZCBGAVZRCTCMB-JOCHJYFZSA-N 1 0 387.524 3.880 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138170994 1024290414 /nfs/dbraw/zinc/29/04/14/1024290414.db2.gz MZCBGAVZRCTCMB-QFIPXVFZSA-N 1 0 387.524 3.880 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)c(OC)cc1F)[C@@H]2CC ZINC001141277729 1024366650 /nfs/dbraw/zinc/36/66/50/1024366650.db2.gz JEPFDHPDYKLIOO-IRLDBZIGSA-N 1 0 390.499 3.765 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC4(CCCNC4=O)CC3)cc2)cc1 ZINC001141293969 1024426260 /nfs/dbraw/zinc/42/62/60/1024426260.db2.gz QIYAQWKLWCJWGP-UHFFFAOYSA-N 1 0 375.472 3.843 20 30 GHEDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C[C@H]21 ZINC001141294054 1024426391 /nfs/dbraw/zinc/42/63/91/1024426391.db2.gz UMNUUFPVEJHRKI-ZBYYUNFXSA-N 1 0 375.472 3.553 20 30 GHEDRO C=CCOC[C@H]1c2nnn(C)c2CCN1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138310121 1024616075 /nfs/dbraw/zinc/61/60/75/1024616075.db2.gz CGYHWFRLIOLNKK-FQEVSTJZSA-N 1 0 393.535 3.896 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138346595 1024708843 /nfs/dbraw/zinc/70/88/43/1024708843.db2.gz IPLZSGORXNGPFB-XZOQPEGZSA-N 1 0 390.527 3.661 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)CC2 ZINC001138446745 1024867944 /nfs/dbraw/zinc/86/79/44/1024867944.db2.gz ZIVPZNITSLTCTR-HSZRJFAPSA-N 1 0 378.520 3.918 20 30 GHEDRO CC(C)(C)C(=O)Nc1cnccc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001138459295 1024883850 /nfs/dbraw/zinc/88/38/50/1024883850.db2.gz MBCCNXLAUSZRHA-FQEVSTJZSA-N 1 0 392.503 3.981 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(Nc4c(C#N)cnn4-c4ccccc4)cc3)CC2)CC1 ZINC001205096688 1033248297 /nfs/dbraw/zinc/24/82/97/1033248297.db2.gz MOWZVAFRYSZCLS-UHFFFAOYSA-N 1 0 398.514 3.724 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001138556186 1025015856 /nfs/dbraw/zinc/01/58/56/1025015856.db2.gz JKYPSOCPQDEFLN-UHFFFAOYSA-N 1 0 384.520 3.922 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)cc1 ZINC001138558507 1025019800 /nfs/dbraw/zinc/01/98/00/1025019800.db2.gz YHXROSOYWXNTMP-QFIPXVFZSA-N 1 0 383.532 3.744 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1O ZINC001138626897 1025125290 /nfs/dbraw/zinc/12/52/90/1025125290.db2.gz SCBPIBMCRIVGHD-QPPBQGQZSA-N 1 0 394.515 3.966 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2Cc3cnn(CC4CC4)c3[C@@H](COCC)C2)c1O ZINC001138627751 1025129051 /nfs/dbraw/zinc/12/90/51/1025129051.db2.gz ODVZRXUIOIFACO-OAQYLSRUSA-N 1 0 381.520 3.863 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1O ZINC001138628060 1025129221 /nfs/dbraw/zinc/12/92/21/1025129221.db2.gz RZXWYJBXYMERTL-QFIPXVFZSA-N 1 0 394.515 3.856 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)c1O ZINC001138628722 1025130390 /nfs/dbraw/zinc/13/03/90/1025130390.db2.gz ZCWXSPYMJFFISO-NRFANRHFSA-N 1 0 376.500 3.759 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC001138661062 1025181287 /nfs/dbraw/zinc/18/12/87/1025181287.db2.gz MOLSCPNKOIQOGP-PMACEKPBSA-N 1 0 382.529 3.907 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(N(CC)CC)s1)[C@H]2CC ZINC001138801039 1025385777 /nfs/dbraw/zinc/38/57/77/1025385777.db2.gz LPIGDOIABIWJMK-RXVVDRJESA-N 1 0 390.597 3.911 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1cc(Br)c(O)c(OCC)c1 ZINC000838958472 1025475105 /nfs/dbraw/zinc/47/51/05/1025475105.db2.gz NVTHPOQNTNRQBJ-UHFFFAOYSA-N 1 0 390.277 3.855 20 30 GHEDRO N#Cc1c[nH]c2nc(NCC3(Cc4ccc(Cl)cc4)CC[NH2+]CC3)ncc12 ZINC001161992160 1025525697 /nfs/dbraw/zinc/52/56/97/1025525697.db2.gz HINKMGZHQYUISC-UHFFFAOYSA-N 1 0 380.883 3.507 20 30 GHEDRO COc1cccc(CC2([NH3+])CCN(c3ncccc3C#C[Si](C)(C)C)CC2)c1 ZINC001162049279 1025564025 /nfs/dbraw/zinc/56/40/25/1025564025.db2.gz IDRJVXSELUSRCF-UHFFFAOYSA-N 1 0 393.607 3.860 20 30 GHEDRO N#Cc1cc(F)cnc1N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001162054403 1025567814 /nfs/dbraw/zinc/56/78/14/1025567814.db2.gz MBADXGBWQPQNKO-UHFFFAOYSA-N 1 0 378.373 3.652 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000839101298 1025603491 /nfs/dbraw/zinc/60/34/91/1025603491.db2.gz VYYIPVWAMCVBIQ-FGZHOGPDSA-N 1 0 398.547 3.822 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001162186709 1025655336 /nfs/dbraw/zinc/65/53/36/1025655336.db2.gz VAYRBCZCWHSVDY-KVAOURJJSA-N 1 0 397.976 3.927 20 30 GHEDRO CCN(CC)Cc1nc2sc(C)c(C)c2c(NC2(C#N)CC[NH+](C)CC2)n1 ZINC001162231815 1025681962 /nfs/dbraw/zinc/68/19/62/1025681962.db2.gz QXUUVVBBYIDQMP-UHFFFAOYSA-N 1 0 386.569 3.550 20 30 GHEDRO CCOc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)ccc1OC(C)=O ZINC001139008158 1025755901 /nfs/dbraw/zinc/75/59/01/1025755901.db2.gz PFQYGQXFOQHQLS-NRFANRHFSA-N 1 0 394.471 3.926 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001162740565 1025900223 /nfs/dbraw/zinc/90/02/23/1025900223.db2.gz HEVAJOQQEAQZFX-LBPRGKRZSA-N 1 0 383.229 3.695 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)cnc2Cl)c1 ZINC001162800963 1025922254 /nfs/dbraw/zinc/92/22/54/1025922254.db2.gz FWOQJCGPIDRDFF-ZTFGCOKTSA-N 1 0 386.833 3.687 20 30 GHEDRO Cn1ccc2cc(C[N@@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)ccc21 ZINC001139194701 1026034078 /nfs/dbraw/zinc/03/40/78/1026034078.db2.gz VCIGJNNJEZCQCH-DEOSSOPVSA-N 1 0 384.483 3.679 20 30 GHEDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cccc(N=C(c3ccccc3)c3ccccc3)c2)N1 ZINC001163255395 1026106956 /nfs/dbraw/zinc/10/69/56/1026106956.db2.gz VHSYBHPDGPLJNX-RDGATRHJSA-N 1 0 396.494 3.846 20 30 GHEDRO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163283590 1026124100 /nfs/dbraw/zinc/12/41/00/1026124100.db2.gz HXAWTTMMGYIISR-ANRSDYALSA-N 1 0 386.311 3.832 20 30 GHEDRO COc1cccc([C@H](C[NH3+])Nc2ccc(COc3ccc(CC#N)cc3)cn2)c1 ZINC001163314073 1026139096 /nfs/dbraw/zinc/13/90/96/1026139096.db2.gz UJYJGIGFFLCNEW-QFIPXVFZSA-N 1 0 388.471 3.847 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@H]1c1ccccc1 ZINC001141664580 1026184107 /nfs/dbraw/zinc/18/41/07/1026184107.db2.gz RIRMBIKVHJFTDF-ZWKOTPCHSA-N 1 0 399.288 3.709 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4cnccn4)cc3)C2)C1 ZINC001139391290 1026260433 /nfs/dbraw/zinc/26/04/33/1026260433.db2.gz KBXVMGYFWXLETQ-QHCPKHFHSA-N 1 0 392.503 3.754 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139425748 1026296241 /nfs/dbraw/zinc/29/62/41/1026296241.db2.gz VTNWZCJPRQSNES-GOSISDBHSA-N 1 0 379.460 3.909 20 30 GHEDRO CCn1cc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c2sc(C#N)cc2c1=O ZINC001163762036 1026306018 /nfs/dbraw/zinc/30/60/18/1026306018.db2.gz UBHWFTUFTWHGNY-UHFFFAOYSA-N 1 0 376.485 3.974 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N2CCC[N@H+](Cc3ccncc3)CC2)c1C#N ZINC001163826963 1026329554 /nfs/dbraw/zinc/32/95/54/1026329554.db2.gz MCNNIJNOWFUOKK-UHFFFAOYSA-N 1 0 376.291 3.676 20 30 GHEDRO C[NH+](C)Cc1cccc(CNc2nc(/C=N/O)ccc2NC(=O)C(C)(C)C)c1 ZINC001163993055 1026379235 /nfs/dbraw/zinc/37/92/35/1026379235.db2.gz MVDMESBQORLOTN-YDZHTSKRSA-N 1 0 383.496 3.548 20 30 GHEDRO C[NH+](C)Cc1cccc(CNc2ncc(F)c(Oc3ccc(C#N)cc3)n2)c1 ZINC001163993259 1026380476 /nfs/dbraw/zinc/38/04/76/1026380476.db2.gz IIZGCMBKAFNCBC-UHFFFAOYSA-N 1 0 377.423 3.953 20 30 GHEDRO N#Cc1cnc(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c(Br)c1 ZINC001164009469 1026385467 /nfs/dbraw/zinc/38/54/67/1026385467.db2.gz YVOGXGLWGQOKNP-QGZVFWFLSA-N 1 0 398.308 3.744 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC001139529781 1026388327 /nfs/dbraw/zinc/38/83/27/1026388327.db2.gz CSZQRPLDLRHQGY-UHFFFAOYSA-N 1 0 393.384 3.914 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3c[nH]c4ncc(C(F)(F)F)cc34)CC2)c1 ZINC001139540104 1026401753 /nfs/dbraw/zinc/40/17/53/1026401753.db2.gz CVZZYHFADNGPFO-UHFFFAOYSA-N 1 0 385.393 3.776 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c1 ZINC001139647973 1026509526 /nfs/dbraw/zinc/50/95/26/1026509526.db2.gz URUBEKKJNNXCNO-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c1 ZINC001139649101 1026510433 /nfs/dbraw/zinc/51/04/33/1026510433.db2.gz NLBLIWNVBWCZHT-QRTHJKPMSA-N 1 0 397.519 3.576 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(C)nc4cc(C)ccn43)C2)C1 ZINC001139674835 1026529879 /nfs/dbraw/zinc/52/98/79/1026529879.db2.gz GDQWZNNCYCIZMN-JOCHJYFZSA-N 1 0 382.508 3.562 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3C#N)CC[C@@H]2C1 ZINC001139687412 1026538618 /nfs/dbraw/zinc/53/86/18/1026538618.db2.gz QFVIEFJVUZHTOE-GDBMZVCRSA-N 1 0 375.900 3.900 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2c2ccccc2)C1=O ZINC001139705000 1026550103 /nfs/dbraw/zinc/55/01/03/1026550103.db2.gz IPRWFRPKEPOZOA-RDGATRHJSA-N 1 0 398.510 3.878 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(C[C@H](c5ccccc5)C(=O)N4)CC3)c[nH]c21 ZINC001139705284 1026550148 /nfs/dbraw/zinc/55/01/48/1026550148.db2.gz ORWLVJCAODVVOP-OAQYLSRUSA-N 1 0 384.483 3.678 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(C[C@@H](c5ccccc5)C(=O)N4)CC3)c[nH]c21 ZINC001139705283 1026550161 /nfs/dbraw/zinc/55/01/61/1026550161.db2.gz ORWLVJCAODVVOP-NRFANRHFSA-N 1 0 384.483 3.678 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c[nH]c5c4cccc5C#N)C3)CC2=O)c1 ZINC001139705620 1026550782 /nfs/dbraw/zinc/55/07/82/1026550782.db2.gz VTOMNIDYUCJMIV-XMMPIXPASA-N 1 0 395.466 3.540 20 30 GHEDRO CC[N@@H+](Cc1c[nH]c2c1cccc2C#N)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001139707545 1026552772 /nfs/dbraw/zinc/55/27/72/1026552772.db2.gz JIFNZWXHUVQGBB-QFIPXVFZSA-N 1 0 388.515 3.762 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)cc1 ZINC001164584795 1026559445 /nfs/dbraw/zinc/55/94/45/1026559445.db2.gz STHSMCVOSUQKQR-UHFFFAOYSA-N 1 0 391.475 3.716 20 30 GHEDRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccc(C)c(C#N)c2)CC3)n1 ZINC001139723678 1026566366 /nfs/dbraw/zinc/56/63/66/1026566366.db2.gz CYRVHRZEHZNUSP-UHFFFAOYSA-N 1 0 388.515 3.727 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)cc1C#N ZINC001139724872 1026568559 /nfs/dbraw/zinc/56/85/59/1026568559.db2.gz SWZJJKLAVVFGAO-OALUTQOASA-N 1 0 387.499 3.942 20 30 GHEDRO Cc1ccc(CN2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1C#N ZINC001139725444 1026568965 /nfs/dbraw/zinc/56/89/65/1026568965.db2.gz PPMBKKMCJWNTHU-QFIPXVFZSA-N 1 0 396.485 3.995 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1C#N ZINC001139727502 1026570379 /nfs/dbraw/zinc/57/03/79/1026570379.db2.gz SLVNTBWEFVOZPV-INIZCTEOSA-N 1 0 376.382 3.719 20 30 GHEDRO COc1ccc(CC[NH2+]Cc2cc(C#N)ccc2Br)c(OC)c1 ZINC001461120320 1069400670 /nfs/dbraw/zinc/40/06/70/1069400670.db2.gz NXRKURCPXIROAH-UHFFFAOYSA-N 1 0 375.266 3.670 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165088643 1026598328 /nfs/dbraw/zinc/59/83/28/1026598328.db2.gz SBRILKAKFVKFOY-FYYLOGMGSA-N 1 0 381.483 3.726 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165087898 1026598471 /nfs/dbraw/zinc/59/84/71/1026598471.db2.gz QNRSVJSHWSDFQJ-IRXDYDNUSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1cc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc(Cl)n1 ZINC001165090339 1026599734 /nfs/dbraw/zinc/59/97/34/1026599734.db2.gz YDNJZFIMEHKLQS-CRAIPNDOSA-N 1 0 388.849 3.862 20 30 GHEDRO CCCc1cc(C#N)c(N2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)nc1Cl ZINC001165107300 1026611174 /nfs/dbraw/zinc/61/11/74/1026611174.db2.gz CQWGOYOGNFUJAV-GOSISDBHSA-N 1 0 376.932 3.639 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001461129924 1069406114 /nfs/dbraw/zinc/40/61/14/1069406114.db2.gz LTTBRFYYQMAYPF-QFIPXVFZSA-N 1 0 383.923 3.992 20 30 GHEDRO Cc1cc(C#N)c(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1C ZINC001165475737 1026737683 /nfs/dbraw/zinc/73/76/83/1026737683.db2.gz KYYSTLIGQMBFAC-UNMCSNQZSA-N 1 0 380.467 3.758 20 30 GHEDRO CC(C)(C)N(c1c(C#N)cnc2cnc(Cl)cc21)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670849 1026791370 /nfs/dbraw/zinc/79/13/70/1026791370.db2.gz BRBVEQFLHOFIGS-OAHLLOKOSA-N 1 0 399.926 3.671 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccccc1-n1ccnc1C)CC2 ZINC001140024164 1026810510 /nfs/dbraw/zinc/81/05/10/1026810510.db2.gz ASRGMLKCRPMYGO-HSZRJFAPSA-N 1 0 378.520 3.714 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C2)C1 ZINC001140111635 1026892090 /nfs/dbraw/zinc/89/20/90/1026892090.db2.gz BJEOWGOESROXRF-INIZCTEOSA-N 1 0 380.492 3.728 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C2)C1 ZINC001140111637 1026892266 /nfs/dbraw/zinc/89/22/66/1026892266.db2.gz BJEOWGOESROXRF-MRXNPFEDSA-N 1 0 380.492 3.728 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c(F)c1 ZINC001140136907 1026910325 /nfs/dbraw/zinc/91/03/25/1026910325.db2.gz RYLQFNQSXOBWPD-DEOSSOPVSA-N 1 0 391.490 3.755 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)c(F)c1 ZINC001140136865 1026910614 /nfs/dbraw/zinc/91/06/14/1026910614.db2.gz QCAOLAPCXYMDCN-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cc(-n2ncc3cc(N4CC[NH2+]CC4)ccc32)nc2ccc(Cl)cc12 ZINC001167019710 1027202042 /nfs/dbraw/zinc/20/20/42/1027202042.db2.gz FXWDGEGBYGFVGX-UHFFFAOYSA-N 1 0 388.862 3.508 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccccc1Br)C2 ZINC001203320234 1027272139 /nfs/dbraw/zinc/27/21/39/1027272139.db2.gz MDAVASMIYFEHKE-IBGZPJMESA-N 1 0 377.326 3.982 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1OC)CC2 ZINC001203439778 1027338678 /nfs/dbraw/zinc/33/86/78/1027338678.db2.gz ZDCSXNOUGOGPEQ-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CC[NH+](CCc2cccs2)CC1 ZINC001141813439 1027346508 /nfs/dbraw/zinc/34/65/08/1027346508.db2.gz NTBMUDMBANTIDO-UHFFFAOYSA-N 1 0 390.350 3.743 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001141818406 1027355511 /nfs/dbraw/zinc/35/55/11/1027355511.db2.gz BAFROVLVZGSCOP-ROUUACIJSA-N 1 0 380.305 3.719 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(OC)ccc3OC)C2)CC1 ZINC001203518470 1027397885 /nfs/dbraw/zinc/39/78/85/1027397885.db2.gz GWBUQTCKDPMPCX-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC001203760865 1027583275 /nfs/dbraw/zinc/58/32/75/1027583275.db2.gz PWXNFEIHGKMVLM-PKTZIBPZSA-N 1 0 377.488 3.541 20 30 GHEDRO CCOCC[N@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203764134 1027585314 /nfs/dbraw/zinc/58/53/14/1027585314.db2.gz YFGPOTDSIYLXCD-UHFFFAOYSA-N 1 0 387.524 3.796 20 30 GHEDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001461267389 1069471127 /nfs/dbraw/zinc/47/11/27/1069471127.db2.gz GRASXFXIMWHRER-KZNAEPCWSA-N 1 0 377.488 3.690 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCC2(CC1)OC(=O)c1ccccc12 ZINC001141903238 1027627380 /nfs/dbraw/zinc/62/73/80/1027627380.db2.gz WUTYBRPHYRQMNY-UHFFFAOYSA-N 1 0 397.272 3.982 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CC2(CCN2Cc2ccccc2)C1 ZINC001141902756 1027627590 /nfs/dbraw/zinc/62/75/90/1027627590.db2.gz CFFDXDLNOZCBAZ-UHFFFAOYSA-N 1 0 382.305 3.781 20 30 GHEDRO CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC001203971415 1027772351 /nfs/dbraw/zinc/77/23/51/1027772351.db2.gz ZVPVGBNOVRWDFF-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO C=CCC[C@H]1NC(=O)N(c2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1=O ZINC000840898375 1027930952 /nfs/dbraw/zinc/93/09/52/1027930952.db2.gz DOYRNPHVAHXMIP-LEWJYISDSA-N 1 0 399.535 3.857 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000840979594 1028016942 /nfs/dbraw/zinc/01/69/42/1028016942.db2.gz XPGRZNYQPMJPNL-JTSKRJEESA-N 1 0 385.508 3.953 20 30 GHEDRO N#Cc1cnccc1Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001214013371 1028506154 /nfs/dbraw/zinc/50/61/54/1028506154.db2.gz MTOATADSQOYFCK-UHFFFAOYSA-N 1 0 389.503 3.787 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001461462883 1069560877 /nfs/dbraw/zinc/56/08/77/1069560877.db2.gz WIRKNWZOKJREJS-QHCPKHFHSA-N 1 0 378.472 3.589 20 30 GHEDRO Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1C#N ZINC001214986308 1028986051 /nfs/dbraw/zinc/98/60/51/1028986051.db2.gz SDTVIVJINOXUMX-UHFFFAOYSA-N 1 0 394.544 3.780 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)OCC)cc1)[C@@H]2CC ZINC001142587529 1029111499 /nfs/dbraw/zinc/11/14/99/1029111499.db2.gz TZUNAYCMLNKAET-OFNKIYASSA-N 1 0 384.520 3.785 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)OCC)cc1)[C@H]2CC ZINC001142587530 1029111554 /nfs/dbraw/zinc/11/15/54/1029111554.db2.gz TZUNAYCMLNKAET-REWPJTCUSA-N 1 0 384.520 3.785 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC001215509031 1029245897 /nfs/dbraw/zinc/24/58/97/1029245897.db2.gz WNTAZYUWMTVJHS-INIZCTEOSA-N 1 0 375.488 3.860 20 30 GHEDRO C#CC[C@@H](CO)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC001461529996 1069593160 /nfs/dbraw/zinc/59/31/60/1069593160.db2.gz SDANOUGLKXIIQW-NRFANRHFSA-N 1 0 385.467 3.818 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1C ZINC000842705712 1029516247 /nfs/dbraw/zinc/51/62/47/1029516247.db2.gz VSBBSKUSXLVILV-INIZCTEOSA-N 1 0 398.617 3.608 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CCC[C@@]4(CCC(=O)N4Cc4ccncc4)C3)c[nH]c2c1 ZINC001142917140 1029690555 /nfs/dbraw/zinc/69/05/55/1029690555.db2.gz UAHMETXBIJYQGC-XMMPIXPASA-N 1 0 399.498 3.592 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)[C@H]1c1ccccc1 ZINC001142928577 1029708866 /nfs/dbraw/zinc/70/88/66/1029708866.db2.gz CXTCBGLOXSLVIP-JOCHJYFZSA-N 1 0 384.483 3.835 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(F)cc(OC(F)(F)F)c3)CC2)nc1 ZINC001143262769 1029959378 /nfs/dbraw/zinc/95/93/78/1029959378.db2.gz QIWSRLZZQBMPEU-UHFFFAOYSA-N 1 0 394.372 3.703 20 30 GHEDRO C=CCN(CC[NH+]1CCC2(CNc3ccc(Cl)cc32)CC1)C(=O)OCC ZINC001222173814 1029989239 /nfs/dbraw/zinc/98/92/39/1029989239.db2.gz XYSZQTCLIWQPNE-UHFFFAOYSA-N 1 0 377.916 3.744 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3cccc(O[C@H]4CC[NH2+]C4)c3)n2)c(F)c1 ZINC001217105188 1030169356 /nfs/dbraw/zinc/16/93/56/1030169356.db2.gz NUZCRCPTWAJNHJ-KRWDZBQOSA-N 1 0 381.407 3.848 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3Cc4ccccc4[C@@H]4C[NH2+]C[C@@H]43)cn2)cc1 ZINC001222558568 1030195709 /nfs/dbraw/zinc/19/57/09/1030195709.db2.gz OURHJJADJHKCGR-GOTSBHOMSA-N 1 0 382.467 3.817 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC001217645497 1030570075 /nfs/dbraw/zinc/57/00/75/1030570075.db2.gz BWQDYGQMUBMSIK-MJBXVCDLSA-N 1 0 393.329 3.809 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC001223496603 1030604958 /nfs/dbraw/zinc/60/49/58/1030604958.db2.gz BXYPYSYETXFBTI-QFIPXVFZSA-N 1 0 379.504 3.581 20 30 GHEDRO C=C[C@H](C#CC#CC/C=C\CCCCCCC)OCCOCCOCC[NH3+] ZINC001217878645 1030667065 /nfs/dbraw/zinc/66/70/65/1030667065.db2.gz LVFBJDUUAPCLIU-ZXEGGCGDSA-N 1 0 375.553 3.863 20 30 GHEDRO COc1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001217946049 1030679080 /nfs/dbraw/zinc/67/90/80/1030679080.db2.gz AVBZKYRPUAYOLG-LOFRFSAXSA-N 1 0 385.435 3.766 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001217988949 1030708210 /nfs/dbraw/zinc/70/82/10/1030708210.db2.gz DRNBGRUZTZYNDK-QRQCRPRQSA-N 1 0 390.462 3.998 20 30 GHEDRO CCCCCCCCC(=O)NCc1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)c(OC)c1 ZINC001217997956 1030713298 /nfs/dbraw/zinc/71/32/98/1030713298.db2.gz HYTIKBFDMLSPNS-FXAWDEMLSA-N 1 0 380.504 3.751 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC001461698501 1069685872 /nfs/dbraw/zinc/68/58/72/1069685872.db2.gz HEKIFBCJAFUKQE-QFIPXVFZSA-N 1 0 377.536 3.845 20 30 GHEDRO COc1cc(O[C@H]2CC[NH2+]CC[C@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218016205 1030724637 /nfs/dbraw/zinc/72/46/37/1030724637.db2.gz CQENPVVISSIAMO-RISIALKNSA-N 1 0 385.435 3.766 20 30 GHEDRO CC(C)=CCc1cc(C(=O)/C=C/c2ccc(O)cc2)c(OC2C[NH2+]C2)cc1O ZINC001218052758 1030743664 /nfs/dbraw/zinc/74/36/64/1030743664.db2.gz OOTGTHFQBVWIFA-UXBLZVDNSA-N 1 0 379.456 3.853 20 30 GHEDRO CCCCC/C=C/C(=O)CCc1ccc(O[C@H]2COC3(C[NH2+]C3)C2)c(OC)c1 ZINC001218063195 1030751587 /nfs/dbraw/zinc/75/15/87/1030751587.db2.gz SGFOSBZRFYYXTH-AQKVLALTSA-N 1 0 387.520 3.843 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1OC1CC2(C1)CC[NH2+]C2 ZINC001218065514 1030753161 /nfs/dbraw/zinc/75/31/61/1030753161.db2.gz XVIQNZREQYSQSI-UHFFFAOYSA-N 1 0 387.483 3.635 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)C2 ZINC001461702419 1069689581 /nfs/dbraw/zinc/68/95/81/1069689581.db2.gz FQYBZKRBWVZKCC-FQEVSTJZSA-N 1 0 376.460 3.714 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3CC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001218120964 1030783148 /nfs/dbraw/zinc/78/31/48/1030783148.db2.gz VAORYXXXHXIJIV-FGZHOGPDSA-N 1 0 399.512 3.605 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218122673 1030784192 /nfs/dbraw/zinc/78/41/92/1030784192.db2.gz HRSZBZVLHJHQCR-NXPLDIRDSA-N 1 0 379.456 3.818 20 30 GHEDRO C#CCCCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001223926613 1030813283 /nfs/dbraw/zinc/81/32/83/1030813283.db2.gz VMYSBAREUISMHS-XZOQPEGZSA-N 1 0 375.516 3.757 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1c(Br)cc(Br)c2ccccc21 ZINC001218201964 1030825009 /nfs/dbraw/zinc/82/50/09/1030825009.db2.gz WQSVLTRRKJOIRX-OTYXRUKQSA-N 1 0 396.082 3.855 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[NH2+]CCC2=C)c1 ZINC001218210987 1030833562 /nfs/dbraw/zinc/83/35/62/1030833562.db2.gz ODCUZWIUICVELD-OAQYLSRUSA-N 1 0 377.440 3.696 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CCC3(C[NH2+]C3)C2)c1 ZINC001218241457 1030847460 /nfs/dbraw/zinc/84/74/60/1030847460.db2.gz REOLANJEEQKJFJ-LJQANCHMSA-N 1 0 391.467 3.920 20 30 GHEDRO COc1cc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218252833 1030855248 /nfs/dbraw/zinc/85/52/48/1030855248.db2.gz VCYFHPZFXKITJJ-UYUXZUBFSA-N 1 0 379.456 3.816 20 30 GHEDRO CCc1nc2c(c(OC(c3ccc(C#N)cc3)c3ccc(C#N)cc3)n1)CNC2 ZINC001218286943 1030870799 /nfs/dbraw/zinc/87/07/99/1030870799.db2.gz OOWXZHQWPUBDPY-UHFFFAOYSA-N 1 0 381.439 3.554 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)c2)cc1OC ZINC001218330077 1030896514 /nfs/dbraw/zinc/89/65/14/1030896514.db2.gz JZBITHZWTHHRQO-IUTGYOPPSA-N 1 0 379.456 3.587 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[NH2+]CCC23CC3)c1 ZINC001218405693 1030924229 /nfs/dbraw/zinc/92/42/29/1030924229.db2.gz UOONODQYWQYVCK-NRFANRHFSA-N 1 0 391.467 3.920 20 30 GHEDRO COc1cc(O[C@H]2CC[C@H](C)[NH2+]C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218407827 1030926177 /nfs/dbraw/zinc/92/61/77/1030926177.db2.gz NOLSQUIFYHXXCE-NZOPANQLSA-N 1 0 395.455 3.579 20 30 GHEDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@H]2C)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218421418 1030932553 /nfs/dbraw/zinc/93/25/53/1030932553.db2.gz WEIMSBFKLXYHOZ-LDXXOOENSA-N 1 0 381.472 3.988 20 30 GHEDRO CC[C@@H](C#Cc1ccccc1)Oc1cccc2c1C(=O)CC1(CC[NH2+]CC1)O2 ZINC001218440165 1030936705 /nfs/dbraw/zinc/93/67/05/1030936705.db2.gz YSMJDEHJBOYLEA-IBGZPJMESA-N 1 0 375.468 3.983 20 30 GHEDRO Cc1cc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218441853 1030938251 /nfs/dbraw/zinc/93/82/51/1030938251.db2.gz IZDNSCINOUUMCW-WYNABVQQSA-N 1 0 379.456 3.740 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(C(C)=O)cc(Br)cc1[N+](=O)[O-] ZINC001218455682 1030943184 /nfs/dbraw/zinc/94/31/84/1030943184.db2.gz PAIADKVYBNFZLC-UKRRQHHQSA-N 1 0 383.242 3.635 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(/C=C2\Oc3cc(O)ccc3C2=O)ccc1O ZINC001218454911 1030943676 /nfs/dbraw/zinc/94/36/76/1030943676.db2.gz FUGKPNSYKRXEQR-CYBRBSKNSA-N 1 0 393.439 3.790 20 30 GHEDRO C#CC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001224385460 1030981576 /nfs/dbraw/zinc/98/15/76/1030981576.db2.gz BFUXXEGRIUUIOA-SGNDLWITSA-N 1 0 387.527 3.915 20 30 GHEDRO COC(=O)c1oc2cccc(Cl)c2c1NC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001218677515 1031030824 /nfs/dbraw/zinc/03/08/24/1031030824.db2.gz OABCDGFQIRGTTR-CQSZACIVSA-N 1 0 397.818 3.773 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)Nc2ccc(OC)cc2C(=O)c2ccc(Cl)cc2)C1 ZINC001218819838 1031097488 /nfs/dbraw/zinc/09/74/88/1031097488.db2.gz OTXSHQYRQRXUBG-NRFANRHFSA-N 1 0 384.863 3.826 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)C3(Cc4ccccc4F)CC[NH2+]CC3)cc2s1 ZINC001218910317 1031148059 /nfs/dbraw/zinc/14/80/59/1031148059.db2.gz JFLXPPGSAATTMY-UHFFFAOYSA-N 1 0 394.475 3.858 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@H]2[NH2+]CCc3cc(F)ccc32)ccc1N1CCCCC1 ZINC001218945076 1031168769 /nfs/dbraw/zinc/16/87/69/1031168769.db2.gz UHUVCMHNWRNETL-OAQYLSRUSA-N 1 0 378.451 3.513 20 30 GHEDRO COc1cccc(NC(=O)C[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)c1C#N ZINC001218979177 1031192147 /nfs/dbraw/zinc/19/21/47/1031192147.db2.gz YEACJJWYUSQKPB-INIZCTEOSA-N 1 0 381.476 3.643 20 30 GHEDRO CCc1cc(NC(=O)C2(N)CC[NH+](Cc3ccccc3)CC2)cc(CC)c1C#N ZINC001219115042 1031259253 /nfs/dbraw/zinc/25/92/53/1031259253.db2.gz YKDRDRXARHMIQX-UHFFFAOYSA-N 1 0 390.531 3.615 20 30 GHEDRO C#C[C@H](O[C@H]1C[N@H+](Cc2ccccc2)C2(C1)CCC1(CC2)OCCO1)C(C)C ZINC001225175275 1031298918 /nfs/dbraw/zinc/29/89/18/1031298918.db2.gz RKJSDKLXPLSJJY-YADHBBJMSA-N 1 0 383.532 3.991 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)c2cc(F)ccc2n1 ZINC001152694511 1031328248 /nfs/dbraw/zinc/32/82/48/1031328248.db2.gz DTZRJWIUVVRYOM-ZDUSSCGKSA-N 1 0 381.373 3.773 20 30 GHEDRO C[NH2+][C@@H](COCc1ccccc1)C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219310788 1031350768 /nfs/dbraw/zinc/35/07/68/1031350768.db2.gz NNLGNPDNJSLDOG-NRFANRHFSA-N 1 0 380.564 3.659 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001219695879 1031561663 /nfs/dbraw/zinc/56/16/63/1031561663.db2.gz YWBZWCCQQIBKDA-UGSOOPFHSA-N 1 0 387.846 3.560 20 30 GHEDRO Cc1cccc(Br)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001276809231 1031705505 /nfs/dbraw/zinc/70/55/05/1031705505.db2.gz ATQNSMKPCYIKFE-QZTJIDSGSA-N 1 0 390.325 3.627 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cccc1Br)CC2 ZINC001276809759 1031742807 /nfs/dbraw/zinc/74/28/07/1031742807.db2.gz LDAWDJSUUPDDNT-MRXNPFEDSA-N 1 0 377.326 3.662 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCNc1ccc(C(F)(F)F)cn1 ZINC001461825233 1069774779 /nfs/dbraw/zinc/77/47/79/1069774779.db2.gz MSSJUIRQALOANI-UHFFFAOYSA-N 1 0 383.801 3.968 20 30 GHEDRO C#C[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC001220458525 1031949701 /nfs/dbraw/zinc/94/97/01/1031949701.db2.gz UUVQFCWSEALWGA-YJYMSZOUSA-N 1 0 391.298 3.580 20 30 GHEDRO Cc1cc2cccnc2c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001154203253 1031983498 /nfs/dbraw/zinc/98/34/98/1031983498.db2.gz OPQPLGJSCSINSJ-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277135144 1031994805 /nfs/dbraw/zinc/99/48/05/1031994805.db2.gz DXDHBXAHZKMEQA-FQEVSTJZSA-N 1 0 378.900 3.500 20 30 GHEDRO N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001220596777 1032002479 /nfs/dbraw/zinc/00/24/79/1032002479.db2.gz HVVOPGNXQCJSPL-BJKOFHAPSA-N 1 0 381.479 3.899 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001461838037 1069781576 /nfs/dbraw/zinc/78/15/76/1069781576.db2.gz MNEKUWUQONUGAV-SFHVURJKSA-N 1 0 383.797 3.892 20 30 GHEDRO COCCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001205502028 1033443784 /nfs/dbraw/zinc/44/37/84/1033443784.db2.gz BAKDNKOPNKXPOA-GOSISDBHSA-N 1 0 391.487 3.545 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1nc(-c2cccs2)ccc1C#N ZINC001157168810 1033445421 /nfs/dbraw/zinc/44/54/21/1033445421.db2.gz AJZAABGCKLMQPC-INIZCTEOSA-N 1 0 386.521 3.933 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001229589235 1033577749 /nfs/dbraw/zinc/57/77/49/1033577749.db2.gz PPUVTSUFTYHPJI-UWJYYQICSA-N 1 0 376.504 3.756 20 30 GHEDRO C[C@H]1[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001229589233 1033578508 /nfs/dbraw/zinc/57/85/08/1033578508.db2.gz PPUVTSUFTYHPJI-LAUBAEHRSA-N 1 0 376.504 3.756 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157433910 1033585897 /nfs/dbraw/zinc/58/58/97/1033585897.db2.gz JQALSZHZGDZSPG-INIZCTEOSA-N 1 0 376.838 3.910 20 30 GHEDRO C#Cc1cccc(C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC001206294515 1033785525 /nfs/dbraw/zinc/78/55/25/1033785525.db2.gz WSZIGIFDSZEGRE-UHFFFAOYSA-N 1 0 396.918 3.917 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)C[C@H]1c1ccc(Cl)cc1 ZINC000429183725 1033838937 /nfs/dbraw/zinc/83/89/37/1033838937.db2.gz RHBLVCHLRRMPCQ-RBUKOAKNSA-N 1 0 384.863 3.609 20 30 GHEDRO COc1cccc(N(c2nc(Cl)c(Cl)cc2C#N)C2CC[NH2+]CC2)n1 ZINC001158053705 1033888614 /nfs/dbraw/zinc/88/86/14/1033888614.db2.gz BETPUKNZFWBSLJ-UHFFFAOYSA-N 1 0 378.263 3.554 20 30 GHEDRO N#Cc1ccc2ncnc(N(Cc3ccccc3F)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001158147280 1033936225 /nfs/dbraw/zinc/93/62/25/1033936225.db2.gz VUEWDMBNHZQFBD-IYARVYRRSA-N 1 0 375.451 3.917 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cnc1Cl ZINC001158166736 1033947903 /nfs/dbraw/zinc/94/79/03/1033947903.db2.gz MZZBWFBZQBHSPT-QAQDUYKDSA-N 1 0 391.853 3.823 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Oc2nnc(Cc3ccc(F)c(C#N)c3)c3ccccc32)C1 ZINC001230260937 1033968995 /nfs/dbraw/zinc/96/89/95/1033968995.db2.gz VJWIVLPVLMJJKJ-QGZVFWFLSA-N 1 0 376.435 3.704 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755589 1033970049 /nfs/dbraw/zinc/97/00/49/1033970049.db2.gz NLQMELQSBLNVIQ-UHFFFAOYSA-N 1 0 384.321 3.813 20 30 GHEDRO COc1cc(N(c2nc(Cl)c(Cl)cc2C#N)C2CC[NH2+]CC2)ccn1 ZINC001158331106 1034026241 /nfs/dbraw/zinc/02/62/41/1034026241.db2.gz DVJYDBQEBJWGLE-UHFFFAOYSA-N 1 0 378.263 3.554 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)cc(C)c1Cl)C2 ZINC001277455084 1034034175 /nfs/dbraw/zinc/03/41/75/1034034175.db2.gz ASYULXVRZDYQDZ-OAQYLSRUSA-N 1 0 376.928 3.584 20 30 GHEDRO Cc1cc(N(c2nc(Cl)cc(Cl)c2C#N)C2CC[NH2+]CC2)nc(C)n1 ZINC001158396110 1034059849 /nfs/dbraw/zinc/05/98/49/1034059849.db2.gz JGODQYGRFWXQBX-UHFFFAOYSA-N 1 0 377.279 3.557 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCC4CCCCC4)C3)C2)n1 ZINC001207257254 1034216518 /nfs/dbraw/zinc/21/65/18/1034216518.db2.gz SSJKULBRXACJQO-HSZRJFAPSA-N 1 0 382.552 3.842 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCC4CCCCC4)C3)C2)n1 ZINC001207257257 1034216981 /nfs/dbraw/zinc/21/69/81/1034216981.db2.gz SSJKULBRXACJQO-QHCPKHFHSA-N 1 0 382.552 3.842 20 30 GHEDRO CC(C)(C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1)N1CCOCC1 ZINC001207304894 1034254079 /nfs/dbraw/zinc/25/40/79/1034254079.db2.gz HWTUASRTKCPRGF-UHFFFAOYSA-N 1 0 388.515 3.543 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc1C#N ZINC001231042320 1034359905 /nfs/dbraw/zinc/35/99/05/1034359905.db2.gz JDQXBALNPMJWSB-VGOFRKELSA-N 1 0 378.472 3.563 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCCc1cccc(OC)c1)CC2 ZINC001207560504 1034449114 /nfs/dbraw/zinc/44/91/14/1034449114.db2.gz FIPNPEXLZHKKQW-UHFFFAOYSA-N 1 0 395.547 3.995 20 30 GHEDRO COc1ccc(CCC[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001207579564 1034461766 /nfs/dbraw/zinc/46/17/66/1034461766.db2.gz GTFPOMVRQPVLSX-DEOSSOPVSA-N 1 0 389.499 3.628 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@H](CC#N)C[N+](C)(C)C)c2C1=O ZINC001231219464 1034468426 /nfs/dbraw/zinc/46/84/26/1034468426.db2.gz XMWDYHGNPJDOTF-QGZVFWFLSA-O 1 0 397.495 3.811 20 30 GHEDRO N#Cc1cnn(-c2ccc(Br)cc2)c1Nc1cccc(OCC[NH3+])c1 ZINC001159267905 1034513140 /nfs/dbraw/zinc/51/31/40/1034513140.db2.gz GGWQLAGXMOGNFS-UHFFFAOYSA-N 1 0 398.264 3.588 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001159310012 1034538379 /nfs/dbraw/zinc/53/83/79/1034538379.db2.gz IWFGHGZAVQIPTH-FQEVSTJZSA-N 1 0 396.510 3.674 20 30 GHEDRO N#Cc1cc(Nc2ccnn2-c2ccc(Br)cc2)cc(C2C[NH2+]C2)c1 ZINC001159356055 1034560502 /nfs/dbraw/zinc/56/05/02/1034560502.db2.gz SGGCRKKLBJBXOR-UHFFFAOYSA-N 1 0 394.276 3.937 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)C1 ZINC001207767790 1034564947 /nfs/dbraw/zinc/56/49/47/1034564947.db2.gz GLVDVVJJUOAPPK-IBGZPJMESA-N 1 0 385.508 3.658 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)[C@H]2C1 ZINC001207780781 1034572824 /nfs/dbraw/zinc/57/28/24/1034572824.db2.gz IQKAZSMTXJDVGP-XSDIEEQYSA-N 1 0 397.519 3.514 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001207805671 1034583069 /nfs/dbraw/zinc/58/30/69/1034583069.db2.gz HUTFQKLPUJTOPG-ROUUACIJSA-N 1 0 379.545 3.712 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OC(C)C)nc3)C2)CC1 ZINC001231531987 1034685024 /nfs/dbraw/zinc/68/50/24/1034685024.db2.gz LQKOJJQMBUMSKW-UHFFFAOYSA-N 1 0 387.524 3.869 20 30 GHEDRO COC(=O)c1cccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1Br ZINC001159646056 1034700971 /nfs/dbraw/zinc/70/09/71/1034700971.db2.gz LQIAJWJQCNYJFS-UHFFFAOYSA-N 1 0 386.249 3.538 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159654519 1034703780 /nfs/dbraw/zinc/70/37/80/1034703780.db2.gz VCXNBMIBCZTZBV-INIZCTEOSA-N 1 0 390.865 3.953 20 30 GHEDRO N#Cc1cc(Br)cc(Br)c1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159660177 1034706756 /nfs/dbraw/zinc/70/67/56/1034706756.db2.gz BCHQUVUTKZPMJV-MNOVXSKESA-N 1 0 383.087 3.903 20 30 GHEDRO CCCOc1c(F)cc(F)c(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1F ZINC001159748921 1034732182 /nfs/dbraw/zinc/73/21/82/1034732182.db2.gz PJMZXYQMMGXVKB-UHFFFAOYSA-N 1 0 390.409 3.918 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)Nc2cc(CC#N)ccn2)[NH+](C)C)cc1 ZINC001208112016 1034740195 /nfs/dbraw/zinc/74/01/95/1034740195.db2.gz MUAGQZIOWVBUDA-FQEVSTJZSA-N 1 0 379.508 3.771 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CN(CC4CC4)C(=O)[C@H]3COC)CC2)CC1 ZINC001208175609 1034774329 /nfs/dbraw/zinc/77/43/29/1034774329.db2.gz WRHAQHNLGJXIRE-FGZHOGPDSA-N 1 0 386.580 3.886 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)NCc3ccco3)C2)CC1 ZINC001208174785 1034774825 /nfs/dbraw/zinc/77/48/25/1034774825.db2.gz KXMGPNZVOUMSBU-OHUMZHCVSA-N 1 0 398.547 3.925 20 30 GHEDRO COc1cc(C#N)ccc1CN1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001231622225 1034779605 /nfs/dbraw/zinc/77/96/05/1034779605.db2.gz RZNCPJNTYOMVJY-IBGZPJMESA-N 1 0 376.460 3.579 20 30 GHEDRO C=CCOc1cccc(CN2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001231621788 1034779762 /nfs/dbraw/zinc/77/97/62/1034779762.db2.gz JLUWJOJSKJRCPH-QHCPKHFHSA-N 1 0 379.504 3.518 20 30 GHEDRO C=CCOc1cccc(CN2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001231621785 1034780182 /nfs/dbraw/zinc/78/01/82/1034780182.db2.gz JLUWJOJSKJRCPH-HSZRJFAPSA-N 1 0 379.504 3.518 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC001208215705 1034806034 /nfs/dbraw/zinc/80/60/34/1034806034.db2.gz NRDQGPKCLWSNAL-OFAXGOBFSA-N 1 0 387.520 3.668 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)c1 ZINC001231659883 1034815899 /nfs/dbraw/zinc/81/58/99/1034815899.db2.gz VWIZRELDFHLLQN-GGAORHGYSA-N 1 0 380.463 3.652 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)c(O)c3)CC2)C1=O ZINC001277548501 1034822249 /nfs/dbraw/zinc/82/22/49/1034822249.db2.gz QIOSEQSDOKDPPQ-IBGZPJMESA-N 1 0 393.325 3.545 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1OC(C)=O ZINC001231708474 1034851338 /nfs/dbraw/zinc/85/13/38/1034851338.db2.gz VUISXTIOAMYUNG-LJQANCHMSA-N 1 0 380.444 3.536 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3c4ccccc4OC[C@H]3C[NH3+])nc2)cc1 ZINC001160199097 1034899119 /nfs/dbraw/zinc/89/91/19/1034899119.db2.gz FMXDJHDPFVWVOK-LJQANCHMSA-N 1 0 386.455 3.584 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2c3ccccc3OC[C@H]2C[NH3+])c1 ZINC001160207785 1034901625 /nfs/dbraw/zinc/90/16/25/1034901625.db2.gz YMGYCZROHZJFIH-CQSZACIVSA-N 1 0 393.834 3.652 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2c3ccccc3OC[C@H]2C[NH3+])cc1 ZINC001160207764 1034901710 /nfs/dbraw/zinc/90/17/10/1034901710.db2.gz YGFKJOGADLYTQP-CQSZACIVSA-N 1 0 393.834 3.652 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(C#N)c(F)cc1F ZINC001208475970 1034908667 /nfs/dbraw/zinc/90/86/67/1034908667.db2.gz DVEPCBAFFPICFP-UHFFFAOYSA-N 1 0 392.372 3.965 20 30 GHEDRO N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001160225775 1034909067 /nfs/dbraw/zinc/90/90/67/1034909067.db2.gz DLIJEGYPMPZQQR-UHFFFAOYSA-N 1 0 376.382 3.606 20 30 GHEDRO N#Cc1cc(I)c(Cl)cc1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001160249534 1034916085 /nfs/dbraw/zinc/91/60/85/1034916085.db2.gz IWPSJJYOGMEWBZ-ZJUUUORDSA-N 1 0 385.636 3.636 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1 ZINC001231817571 1034926133 /nfs/dbraw/zinc/92/61/33/1034926133.db2.gz LXFFTTCTBKHDIT-RBZQAINGSA-N 1 0 397.563 3.975 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccnc(C(F)F)c4)C3)CC2=O)c1 ZINC001231890270 1034970867 /nfs/dbraw/zinc/97/08/67/1034970867.db2.gz HMYQYLVMJVMXBR-OAQYLSRUSA-N 1 0 382.414 3.520 20 30 GHEDRO N#Cc1cnc(N[C@]2(C[NH3+])CN3CCC2CC3)c2cc(-c3ccccc3)sc21 ZINC001160513051 1034992762 /nfs/dbraw/zinc/99/27/62/1034992762.db2.gz JIPRPWRAKQRGDH-JOCHJYFZSA-N 1 0 389.528 3.670 20 30 GHEDRO C=CCOc1cc(C)nc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160618645 1035017389 /nfs/dbraw/zinc/01/73/89/1035017389.db2.gz GOKMXFYTRRUGDJ-NHCUHLMSSA-N 1 0 392.459 3.614 20 30 GHEDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CCCc2cccc(C#N)c2)cs1 ZINC001208849614 1035057270 /nfs/dbraw/zinc/05/72/70/1035057270.db2.gz KHDOZFKDDYXPJO-NHCUHLMSSA-N 1 0 394.544 3.521 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCCc1cccc(C#N)c1)CC2 ZINC001208851504 1035058116 /nfs/dbraw/zinc/05/81/16/1035058116.db2.gz GUCHDLCBSOCPTE-UHFFFAOYSA-N 1 0 390.531 3.858 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001208852277 1035058194 /nfs/dbraw/zinc/05/81/94/1035058194.db2.gz YKQATFJJTNRGFV-NRFANRHFSA-N 1 0 378.520 3.733 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@H+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851791 1035058316 /nfs/dbraw/zinc/05/83/16/1035058316.db2.gz LORXMACHQAQXGZ-QHCPKHFHSA-N 1 0 399.535 3.593 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)c1 ZINC001208852976 1035059816 /nfs/dbraw/zinc/05/98/16/1035059816.db2.gz YLFOAEHLOPVOGV-WXFUMESZSA-N 1 0 391.515 3.582 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC001208859377 1035062781 /nfs/dbraw/zinc/06/27/81/1035062781.db2.gz YJPPOUBJLGNWHN-UHFFFAOYSA-N 1 0 375.472 3.982 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1 ZINC001208859099 1035063110 /nfs/dbraw/zinc/06/31/10/1035063110.db2.gz LPZQIRDEPZZPJN-DEOSSOPVSA-N 1 0 375.516 3.862 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)cc1 ZINC001208861797 1035064659 /nfs/dbraw/zinc/06/46/59/1035064659.db2.gz OXBSMCCFWKRDPC-UHFFFAOYSA-N 1 0 394.544 3.576 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCCc1ccc(C(=O)OCC)cc1)C2 ZINC001208870350 1035068957 /nfs/dbraw/zinc/06/89/57/1035068957.db2.gz JFAHFQFXSNYHAW-GGAORHGYSA-N 1 0 387.520 3.622 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)s1 ZINC001276596557 1035075287 /nfs/dbraw/zinc/07/52/87/1035075287.db2.gz WKCZJIJOJNCPQS-QGZVFWFLSA-N 1 0 385.455 3.890 20 30 GHEDRO Cc1noc(C)c1CN1CCCC12CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208923889 1035090958 /nfs/dbraw/zinc/09/09/58/1035090958.db2.gz UKWQIDUSEZGWCD-UHFFFAOYSA-N 1 0 378.520 3.836 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cc1 ZINC001208926694 1035091709 /nfs/dbraw/zinc/09/17/09/1035091709.db2.gz KBWRJQPJXJAXDF-JOCHJYFZSA-N 1 0 381.426 3.508 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCCCCCCCCC(=O)OC ZINC001209093523 1035169649 /nfs/dbraw/zinc/16/96/49/1035169649.db2.gz CSNPGWWPGUBLFI-HXUWFJFHSA-N 1 0 391.556 3.816 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](CCCCCCCCCC(=O)OC)CC2 ZINC001209093815 1035170027 /nfs/dbraw/zinc/17/00/27/1035170027.db2.gz AFUGSFRCTQTCOK-UHFFFAOYSA-N 1 0 378.557 3.923 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)cc1Cl ZINC001209104325 1035175108 /nfs/dbraw/zinc/17/51/08/1035175108.db2.gz BYDZACZRDVWCBK-UHFFFAOYSA-N 1 0 390.911 3.988 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001209121755 1035183041 /nfs/dbraw/zinc/18/30/41/1035183041.db2.gz JUUTVJLGXBWMPK-UHFFFAOYSA-N 1 0 382.426 3.968 20 30 GHEDRO Cc1cnc(NCC2CC[NH+](C3CCOCC3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001161240473 1035188874 /nfs/dbraw/zinc/18/88/74/1035188874.db2.gz PWGCFVJNVMOUJE-UHFFFAOYSA-N 1 0 385.628 3.922 20 30 GHEDRO Cc1cc(C[NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)c(F)cc1Cl ZINC001276620123 1035193881 /nfs/dbraw/zinc/19/38/81/1035193881.db2.gz DSRCHSANNNGQSF-UHFFFAOYSA-N 1 0 377.891 3.906 20 30 GHEDRO C=CCCC[NH+]1CCC2(C[C@@H](COCC3CC3)N(C(=O)c3ccco3)C2)CC1 ZINC001209160934 1035196083 /nfs/dbraw/zinc/19/60/83/1035196083.db2.gz DCIDUCKTOOUWQZ-FQEVSTJZSA-N 1 0 386.536 3.969 20 30 GHEDRO C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001209161936 1035196542 /nfs/dbraw/zinc/19/65/42/1035196542.db2.gz PABRAAXQTNSRPV-LADGPHEKSA-N 1 0 375.516 3.866 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001161288130 1035202860 /nfs/dbraw/zinc/20/28/60/1035202860.db2.gz ZQLUQWFADOHEFR-UHFFFAOYSA-N 1 0 390.499 3.504 20 30 GHEDRO C=CCCCC[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC)C2 ZINC001209199790 1035206552 /nfs/dbraw/zinc/20/65/52/1035206552.db2.gz BCHZCQASUZFZEE-UHFFFAOYSA-N 1 0 392.565 3.528 20 30 GHEDRO C=CCCCC[NH+]1CCC(c2cc3c(ncn3C)c(-c3cnn(C)c3)n2)CC1 ZINC001209202569 1035207288 /nfs/dbraw/zinc/20/72/88/1035207288.db2.gz FJBBDEVGOQYFKY-UHFFFAOYSA-N 1 0 378.524 3.905 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCCN(C(=O)c3cccc([C@@H]4CCC[NH2+]4)c3)C2)cc1 ZINC001161329065 1035209503 /nfs/dbraw/zinc/20/95/03/1035209503.db2.gz RXCCZVOIOYJFKW-VXKWHMMOSA-N 1 0 375.472 3.666 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001209442940 1035275348 /nfs/dbraw/zinc/27/53/48/1035275348.db2.gz IJKVOVUTGFJRBA-NJDAHSKKSA-N 1 0 380.573 3.630 20 30 GHEDRO C=CCCCCCCCC[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001209444506 1035275814 /nfs/dbraw/zinc/27/58/14/1035275814.db2.gz RSMVYBDMDBCBMH-UHFFFAOYSA-N 1 0 386.540 3.591 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1nn(C)c3ccccc13)CC2 ZINC001209577272 1035316205 /nfs/dbraw/zinc/31/62/05/1035316205.db2.gz MLNSOCGUSPYJJR-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC001161885417 1035321841 /nfs/dbraw/zinc/32/18/41/1035321841.db2.gz NSIGLAPAYKMQGU-INIZCTEOSA-N 1 0 376.838 3.910 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccccc3OC(F)(F)F)no2)c1 ZINC001248154235 1035580575 /nfs/dbraw/zinc/58/05/75/1035580575.db2.gz DFFLGSLVUQQYJD-CQSZACIVSA-N 1 0 388.349 3.619 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)no2)cc1 ZINC001248157670 1035584491 /nfs/dbraw/zinc/58/44/91/1035584491.db2.gz UTXVOXFFLSHLTA-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC001248158711 1035585962 /nfs/dbraw/zinc/58/59/62/1035585962.db2.gz BHHNFRKFKNNHQO-HNNXBMFYSA-N 1 0 388.349 3.619 20 30 GHEDRO COc1ccc2c(cccc2-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)c1 ZINC001248159896 1035586770 /nfs/dbraw/zinc/58/67/70/1035586770.db2.gz WSTYFZYXIRBITH-SFHVURJKSA-N 1 0 384.439 3.883 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(-c2ccccc2N2CC[NH2+]CC2)cc1 ZINC001242178646 1035850339 /nfs/dbraw/zinc/85/03/39/1035850339.db2.gz CNCSVLBTEMBJFZ-UHFFFAOYSA-N 1 0 388.533 3.515 20 30 GHEDRO CC1(C)CC(=O)C=C(c2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)C1 ZINC001242316391 1035880884 /nfs/dbraw/zinc/88/08/84/1035880884.db2.gz PVXANSGYCFQPKV-UHFFFAOYSA-N 1 0 381.520 3.555 20 30 GHEDRO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1ccnc(N2CC[NH2+]CC2)c1 ZINC001242396561 1035899559 /nfs/dbraw/zinc/89/95/59/1035899559.db2.gz LOGLEMSVGJNECV-UHFFFAOYSA-N 1 0 379.279 3.733 20 30 GHEDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](c1nc(-c2ccc(C#N)c3ccccc23)no1)C(C)C ZINC001248473326 1035901276 /nfs/dbraw/zinc/90/12/76/1035901276.db2.gz AJDNLWLPPLWABY-OALUTQOASA-N 1 0 391.475 3.558 20 30 GHEDRO Cc1cc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)ccc1N1CCOCC1 ZINC001242883827 1035980859 /nfs/dbraw/zinc/98/08/59/1035980859.db2.gz XECLODPTUJTEAM-UHFFFAOYSA-N 1 0 377.488 3.501 20 30 GHEDRO N#CC1(c2ccccc2-c2ccc(N3CCOCC3)c(Cl)c2)CC[NH2+]CC1 ZINC001242888639 1035983873 /nfs/dbraw/zinc/98/38/73/1035983873.db2.gz DCKQTRCTHMOKRC-UHFFFAOYSA-N 1 0 381.907 3.988 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1 ZINC001248612197 1035989334 /nfs/dbraw/zinc/98/93/34/1035989334.db2.gz SKURMEDDYKBYEY-GGAORHGYSA-N 1 0 391.515 3.667 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001248750881 1036108112 /nfs/dbraw/zinc/10/81/12/1036108112.db2.gz ZWNUTSPHELROPK-QHCPKHFHSA-N 1 0 391.515 3.856 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001244283675 1036459041 /nfs/dbraw/zinc/45/90/41/1036459041.db2.gz CRCRYAKOMJAAQP-UHFFFAOYSA-N 1 0 388.446 3.845 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1-c1cccc(OCC[NH3+])c1 ZINC001244320484 1036469513 /nfs/dbraw/zinc/46/95/13/1036469513.db2.gz HFDAKDQKLPZFMJ-UHFFFAOYSA-N 1 0 384.552 3.606 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1C(F)(F)F ZINC001245800611 1037004767 /nfs/dbraw/zinc/00/47/67/1037004767.db2.gz VODZKXONMQTLTO-CQSZACIVSA-N 1 0 382.455 3.880 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=S)Nc3ccc(C#N)cc3)cc2)CC1 ZINC001245914398 1037054280 /nfs/dbraw/zinc/05/42/80/1037054280.db2.gz OGQWISCDSFDIJO-UHFFFAOYSA-N 1 0 379.533 3.505 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC001245938850 1037067879 /nfs/dbraw/zinc/06/78/79/1037067879.db2.gz ZEUVCMFYQQRSQD-HMXCVIKNSA-N 1 0 376.529 3.755 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246031316 1037145807 /nfs/dbraw/zinc/14/58/07/1037145807.db2.gz VWIIGSVCUVFRKK-VABKMULXSA-N 1 0 398.632 3.738 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246029231 1037145849 /nfs/dbraw/zinc/14/58/49/1037145849.db2.gz VWIIGSVCUVFRKK-DNVJHFABSA-N 1 0 398.632 3.738 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246310685 1037289901 /nfs/dbraw/zinc/28/99/01/1037289901.db2.gz HMUWXLSSOUIQAE-JPYJTQIMSA-N 1 0 398.547 3.986 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246483750 1037430127 /nfs/dbraw/zinc/43/01/27/1037430127.db2.gz VGKNHZZFGBISPO-SVFBPWRDSA-N 1 0 388.552 3.624 20 30 GHEDRO Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246532388 1037467145 /nfs/dbraw/zinc/46/71/45/1037467145.db2.gz ZFYXZSCHQWYFDC-IFMALSPDSA-N 1 0 378.495 3.621 20 30 GHEDRO CC[C@]1(C(=O)OC)C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)CN1 ZINC001246892236 1037708015 /nfs/dbraw/zinc/70/80/15/1037708015.db2.gz QQLWSUYXTCRYLT-JKFKMHIGSA-N 1 0 391.515 3.805 20 30 GHEDRO C#CCOc1ccc(-c2nc3cc(C)ccc3n2C2CC[NH2+]CC2)cc1OC ZINC001247038769 1037862431 /nfs/dbraw/zinc/86/24/31/1037862431.db2.gz NVKIJSNOWZKEOC-UHFFFAOYSA-N 1 0 375.472 3.957 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(C[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)cc1Cl ZINC001247886133 1038455543 /nfs/dbraw/zinc/45/55/43/1038455543.db2.gz PKXHRAPGDUJXBQ-VOJFVSQTSA-N 1 0 393.274 3.616 20 30 GHEDRO C=CC[C@H](N)c1nc(-c2cc(Cl)cc(I)c2)no1 ZINC001247963680 1038517537 /nfs/dbraw/zinc/51/75/37/1038517537.db2.gz SPVVWSGYGLOUAQ-JTQLQIEISA-N 1 0 375.597 3.571 20 30 GHEDRO CCOCC[N@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001232845459 1038596053 /nfs/dbraw/zinc/59/60/53/1038596053.db2.gz XWAKWJJXDQPBJL-UHFFFAOYSA-N 1 0 393.553 3.858 20 30 GHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)Cc2cc(F)ccc2C#N)CC1 ZINC001232891206 1038679919 /nfs/dbraw/zinc/67/99/19/1038679919.db2.gz XTNYQQFXTRRHDO-UHFFFAOYSA-N 1 0 397.494 3.811 20 30 GHEDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(Br)c(C#N)c1)CC2 ZINC001232895294 1038686683 /nfs/dbraw/zinc/68/66/83/1038686683.db2.gz OBDHNYZMNKMRRK-KRWDZBQOSA-N 1 0 393.325 3.586 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C)cc3C#N)C[C@@H]2c2ccccc2)C1=O ZINC001232965344 1038739815 /nfs/dbraw/zinc/73/98/15/1038739815.db2.gz WHJYOGBKKYJUMH-NOZRDPDXSA-N 1 0 385.511 3.871 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001233081116 1038849132 /nfs/dbraw/zinc/84/91/32/1038849132.db2.gz OUWCYBHNZNJMQA-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001233081049 1038849356 /nfs/dbraw/zinc/84/93/56/1038849356.db2.gz MJIXCERERGCPLE-GGAORHGYSA-N 1 0 395.478 3.851 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC(N2CCC(C(=O)OCC)CC2)CC1 ZINC001252125161 1038870596 /nfs/dbraw/zinc/87/05/96/1038870596.db2.gz AZXGNVQTCQHGTN-JOCHJYFZSA-N 1 0 396.616 3.837 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001252136331 1038888265 /nfs/dbraw/zinc/88/82/65/1038888265.db2.gz OAYKSXXVLCQTCJ-OALUTQOASA-N 1 0 398.588 3.714 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001252137203 1038888399 /nfs/dbraw/zinc/88/83/99/1038888399.db2.gz WHWWABGDTNBVRC-IPJJNNNSSA-N 1 0 398.588 3.856 20 30 GHEDRO C[C@](O)(C[NH2+]C[C@H]1CCC(C)(C)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339243 1038946699 /nfs/dbraw/zinc/94/66/99/1038946699.db2.gz YNKSYRHSPBIXHF-DJJJIMSYSA-N 1 0 397.441 3.682 20 30 GHEDRO CCCCC[C@H](C)[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340707 1038947665 /nfs/dbraw/zinc/94/76/65/1038947665.db2.gz SQCKOYCAXOYAEW-UGSOOPFHSA-N 1 0 385.430 3.825 20 30 GHEDRO C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H]([NH2+]CC(C)(C)O)c1ccnc2ccc(OC)cc21 ZINC001252365984 1038958134 /nfs/dbraw/zinc/95/81/34/1038958134.db2.gz SQUKZQWRCFTMOV-IFOZNXLVSA-N 1 0 395.547 3.541 20 30 GHEDRO C=CCOC[C@@H](O)C[NH+]1CCC2(CCc3cc(-c4ccncc4)ccc32)CC1 ZINC001252465216 1038998594 /nfs/dbraw/zinc/99/85/94/1038998594.db2.gz DLPBWRQSRIWTDM-QFIPXVFZSA-N 1 0 378.516 3.592 20 30 GHEDRO C=CCOC[C@H](O)C[NH2+]Cc1coc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC001252497235 1039007452 /nfs/dbraw/zinc/00/74/52/1039007452.db2.gz MRAAOAFRXPRSFB-OAQYLSRUSA-N 1 0 394.471 3.574 20 30 GHEDRO C=CCOC[C@H](O)C[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001252499075 1039007489 /nfs/dbraw/zinc/00/74/89/1039007489.db2.gz VDHRCHWZESGJIQ-NHCUHLMSSA-N 1 0 375.896 3.751 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CC2CCC1CC2 ZINC001252513620 1039013315 /nfs/dbraw/zinc/01/33/15/1039013315.db2.gz BOULHZVGWXWJEX-HVANQTDBSA-N 1 0 382.552 3.846 20 30 GHEDRO C=CCC[C@H](O)C[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001252603615 1039043821 /nfs/dbraw/zinc/04/38/21/1039043821.db2.gz CDOVKQFIALJHOU-UXHICEINSA-N 1 0 389.540 3.610 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]C1(c2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252621665 1039052368 /nfs/dbraw/zinc/05/23/68/1039052368.db2.gz FWAREZMXLUQSLD-IBGZPJMESA-N 1 0 392.515 3.969 20 30 GHEDRO COC(=O)/C=C/c1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001233299472 1039090443 /nfs/dbraw/zinc/09/04/43/1039090443.db2.gz ARCPNXWJYYMULN-IWGBCORSSA-N 1 0 376.456 3.788 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC001233340370 1039144469 /nfs/dbraw/zinc/14/44/69/1039144469.db2.gz AEPMNTPCKVVFCL-SFHVURJKSA-N 1 0 389.496 3.910 20 30 GHEDRO C=CCCSCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001252773189 1039165370 /nfs/dbraw/zinc/16/53/70/1039165370.db2.gz WMBPMJUOGHTION-IPMKNSEASA-N 1 0 375.582 3.989 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C[C@@H](O)c3ccc(F)cc3)cc(C#N)c21 ZINC001252864430 1039217576 /nfs/dbraw/zinc/21/75/76/1039217576.db2.gz GDTULRCWNJRNMT-LHSJRXKWSA-N 1 0 379.435 3.566 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cn3ccc(Cl)cc3n1)[C@@H]2CC ZINC001233390180 1039218808 /nfs/dbraw/zinc/21/88/08/1039218808.db2.gz MMDQIIXGTJGMLL-NQIIRXRSSA-N 1 0 386.927 3.909 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)cc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252935058 1039273223 /nfs/dbraw/zinc/27/32/23/1039273223.db2.gz BULYWBQOFUJXMK-LJQANCHMSA-N 1 0 375.394 3.626 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)C2 ZINC001233431293 1039303758 /nfs/dbraw/zinc/30/37/58/1039303758.db2.gz RSCPUYCNZHFJHS-KNQAVFIVSA-N 1 0 390.524 3.845 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001252988229 1039314615 /nfs/dbraw/zinc/31/46/15/1039314615.db2.gz CCPAYDALSPPNOK-NHCUHLMSSA-N 1 0 375.557 3.777 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001252988573 1039315368 /nfs/dbraw/zinc/31/53/68/1039315368.db2.gz HGZHELKJMRPAAK-WOJBJXKFSA-N 1 0 375.557 3.777 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@H](O)COC[C@@H](CC)CCCC)C2 ZINC001252997643 1039326151 /nfs/dbraw/zinc/32/61/51/1039326151.db2.gz HKSULDUKCHAUNH-MYDTUXCISA-N 1 0 397.600 3.654 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@H](O)COC[C@H](CC)CCCC)CCO2 ZINC001253001527 1039329030 /nfs/dbraw/zinc/32/90/30/1039329030.db2.gz NPJURBJSDZHNLP-WZYRSQIMSA-N 1 0 397.600 3.654 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@@H](O)COC[C@H](CC)CCCC)CCO2 ZINC001253001519 1039329588 /nfs/dbraw/zinc/32/95/88/1039329588.db2.gz NPJURBJSDZHNLP-KAOXLYBCSA-N 1 0 397.600 3.654 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001253236250 1039491997 /nfs/dbraw/zinc/49/19/97/1039491997.db2.gz BZGAADFBKNVIMW-LADGPHEKSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001253237960 1039494617 /nfs/dbraw/zinc/49/46/17/1039494617.db2.gz PJASYYSTAONSHB-MYDTUXCISA-N 1 0 388.552 3.718 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(n2c3ccccc3n(C)c2=O)CC1 ZINC001253238121 1039495277 /nfs/dbraw/zinc/49/52/77/1039495277.db2.gz BLNRYBOONBKAMA-HXUWFJFHSA-N 1 0 385.552 3.864 20 30 GHEDRO COC(=O)c1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c(C#N)c1 ZINC001233632808 1039497675 /nfs/dbraw/zinc/49/76/75/1039497675.db2.gz RQDVGNHZHPSIMF-NGRWLJPCSA-N 1 0 376.456 3.634 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC001253242173 1039498464 /nfs/dbraw/zinc/49/84/64/1039498464.db2.gz HVLFEJBAUBCGJZ-NRFANRHFSA-N 1 0 388.552 3.777 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC001253243771 1039500529 /nfs/dbraw/zinc/50/05/29/1039500529.db2.gz ZHHBRVXUIFKLIT-LJQANCHMSA-N 1 0 376.516 3.907 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CC1(c2cccc(OC)n2)CCOCC1 ZINC001253253169 1039504789 /nfs/dbraw/zinc/50/47/89/1039504789.db2.gz CTDRQYNYMAPEMH-IBGZPJMESA-N 1 0 376.541 3.616 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C=C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001253257565 1039505682 /nfs/dbraw/zinc/50/56/82/1039505682.db2.gz YEOLXLCAUZHNQX-LWYYNNOASA-N 1 0 378.557 3.885 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)sc1C ZINC001233664552 1039520264 /nfs/dbraw/zinc/52/02/64/1039520264.db2.gz JLNUUVWCBOPSTP-QFIPXVFZSA-N 1 0 396.560 3.751 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001233704053 1039551816 /nfs/dbraw/zinc/55/18/16/1039551816.db2.gz JGNLOAITAAOVSE-KRWDZBQOSA-N 1 0 382.480 3.873 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)cc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001233732864 1039575290 /nfs/dbraw/zinc/57/52/90/1039575290.db2.gz SOSPVYAUWLGUKK-GOSISDBHSA-N 1 0 376.378 3.857 20 30 GHEDRO COC(=O)C[C@H]1CCc2cc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc21 ZINC001233781002 1039613348 /nfs/dbraw/zinc/61/33/48/1039613348.db2.gz QKOXFWKANNEOIS-XMSQKQJNSA-N 1 0 390.483 3.804 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(OC(F)(F)F)cc1Br ZINC001233809049 1039631961 /nfs/dbraw/zinc/63/19/61/1039631961.db2.gz BSPNEQJPLDZOJI-LLVKDONJSA-N 1 0 382.200 3.715 20 30 GHEDRO CCOC(=O)C[C@@H](CC#N)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC001233939385 1039715102 /nfs/dbraw/zinc/71/51/02/1039715102.db2.gz LYNBVNNFGORBTL-QVHJCDIPSA-N 1 0 396.531 3.989 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001253615070 1039725045 /nfs/dbraw/zinc/72/50/45/1039725045.db2.gz ZWCMUANILRKPHQ-BHIFYINESA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001253615681 1039726638 /nfs/dbraw/zinc/72/66/38/1039726638.db2.gz MDEWKLSOHRFGSU-JOCHJYFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(-c2cccc(Oc3ccnc(C#N)n3)c2)cc1 ZINC001253781749 1039810954 /nfs/dbraw/zinc/81/09/54/1039810954.db2.gz CEXNLRKEYUUGJP-NRFANRHFSA-N 1 0 388.471 3.914 20 30 GHEDRO COc1cc(O[C@H](CC#N)C[N+](C)(C)C)c2c(c1)O[C@H](c1ccccc1)CC2=O ZINC001234329283 1039970508 /nfs/dbraw/zinc/97/05/08/1039970508.db2.gz SJJHXTLBNBSZPT-XLIONFOSSA-N 1 0 395.479 3.769 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3ccc(Br)[nH]3)CC2)C1=O ZINC001277855299 1040018880 /nfs/dbraw/zinc/01/88/80/1040018880.db2.gz MELBGRNCXHCQGG-GOSISDBHSA-N 1 0 380.330 3.558 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(F)c(F)c(Br)c3)CC2)C1=O ZINC001277861008 1040083991 /nfs/dbraw/zinc/08/39/91/1040083991.db2.gz COYSZFVNLNSDAO-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO COC(=O)C[C@@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1cccnc1 ZINC001254348573 1040181472 /nfs/dbraw/zinc/18/14/72/1040181472.db2.gz SIBURCVZIRLGEN-SNCIUUNGSA-N 1 0 381.451 3.819 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001254348904 1040181913 /nfs/dbraw/zinc/18/19/13/1040181913.db2.gz DJXGPWGVXKRLEG-HFCFLWKCSA-N 1 0 397.416 3.673 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCCN(c3cnccn3)C2)CC1 ZINC001254351677 1040185058 /nfs/dbraw/zinc/18/50/58/1040185058.db2.gz PSKFFRPSKGNLOQ-FUHYEJFZSA-N 1 0 379.483 3.578 20 30 GHEDRO CCC[C@@H](C)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC001234818401 1040348598 /nfs/dbraw/zinc/34/85/98/1040348598.db2.gz XPLFXZMOLJSXIP-RBBFAFJASA-N 1 0 399.531 3.880 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(Cc2cccnc2)([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254649633 1040418316 /nfs/dbraw/zinc/41/83/16/1040418316.db2.gz UXBUIOCTCYFZRI-PKOBYXMFSA-N 1 0 384.524 3.676 20 30 GHEDRO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)C1 ZINC001254665043 1040427151 /nfs/dbraw/zinc/42/71/51/1040427151.db2.gz LKEYWODCNZZCOK-PJXYCGMHSA-N 1 0 386.499 3.596 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(O)c3Cl)CC2)C1=O ZINC001277918715 1040576015 /nfs/dbraw/zinc/57/60/15/1040576015.db2.gz LRMQEVBAMPFHHW-FQEVSTJZSA-N 1 0 375.900 3.554 20 30 GHEDRO C=C[C@@H](COC)[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC001255018754 1040732051 /nfs/dbraw/zinc/73/20/51/1040732051.db2.gz KUTFXMWAJCPBAJ-NSHDSACASA-N 1 0 393.119 3.901 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377105 1040888937 /nfs/dbraw/zinc/88/89/37/1040888937.db2.gz QAZKVJDFMYGXFE-RTWAWAEBSA-N 1 0 396.332 3.900 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccccc3F)CC1)C2 ZINC001255219860 1040911914 /nfs/dbraw/zinc/91/19/14/1040911914.db2.gz YIQJBFGOBANFQY-PIIMJCKOSA-N 1 0 385.483 3.835 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCC[C@H](C(=O)OCC)C3)C2)CC1 ZINC001255357909 1040960314 /nfs/dbraw/zinc/96/03/14/1040960314.db2.gz QUZYJXSIOGSBJJ-OALUTQOASA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001235502598 1040964478 /nfs/dbraw/zinc/96/44/78/1040964478.db2.gz QXBFKYVAOWJDPA-ICSRJNTNSA-N 1 0 375.900 3.790 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255405814 1040992555 /nfs/dbraw/zinc/99/25/55/1040992555.db2.gz YNZGQXWVRWEQLX-FYYLOGMGSA-N 1 0 394.563 3.577 20 30 GHEDRO N#Cc1ccc(CCCN2CC[NH2+][C@H](c3cccc(Br)c3)C2)cc1 ZINC001235796656 1041295691 /nfs/dbraw/zinc/29/56/91/1041295691.db2.gz UHVDRHQGUKRXLE-FQEVSTJZSA-N 1 0 384.321 3.900 20 30 GHEDRO COCCCN(Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235807172 1041315705 /nfs/dbraw/zinc/31/57/05/1041315705.db2.gz LVUFGWYYBJVZFV-DEOSSOPVSA-N 1 0 392.547 3.917 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cn2)cc1 ZINC001236011922 1041505082 /nfs/dbraw/zinc/50/50/82/1041505082.db2.gz DTGAKOPWFDPXDJ-RDGATRHJSA-N 1 0 396.494 3.719 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001256231813 1041667146 /nfs/dbraw/zinc/66/71/46/1041667146.db2.gz GDIAJELAWIKKDP-FQEVSTJZSA-N 1 0 386.565 3.815 20 30 GHEDRO COCCN(Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236327384 1041672890 /nfs/dbraw/zinc/67/28/90/1041672890.db2.gz FDLAEJFDYJSVGS-QHCPKHFHSA-N 1 0 378.520 3.527 20 30 GHEDRO CN(CCC#N)c1ccc(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236393082 1041697112 /nfs/dbraw/zinc/69/71/12/1041697112.db2.gz CFCIUJIKJGZPEL-QHCPKHFHSA-N 1 0 380.511 3.930 20 30 GHEDRO N#Cc1c(N)sc(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)c1Cl ZINC001236395628 1041699574 /nfs/dbraw/zinc/69/95/74/1041699574.db2.gz MLCDOPOWGNVOPF-AWEZNQCLSA-N 1 0 378.904 3.749 20 30 GHEDRO Cc1ccc(F)cc1CN(Cc1ccc(N(C)C)c(C#N)c1F)C1CC[NH2+]CC1 ZINC001236509606 1041746066 /nfs/dbraw/zinc/74/60/66/1041746066.db2.gz FZYZRCIYRJZICZ-UHFFFAOYSA-N 1 0 398.501 3.965 20 30 GHEDRO COc1cccc(I)c1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001236590585 1041770196 /nfs/dbraw/zinc/77/01/96/1041770196.db2.gz CWSCWKCRVDLNDR-XYYAHUGASA-N 1 0 382.245 3.566 20 30 GHEDRO N#Cc1cc(CN2Cc3ccccc3C23CC[NH2+]CC3)ccc1Br ZINC001237312285 1042139756 /nfs/dbraw/zinc/13/97/56/1042139756.db2.gz XTNXQNNOODKEOM-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)CC2 ZINC001237467369 1042220576 /nfs/dbraw/zinc/22/05/76/1042220576.db2.gz QLLRLGQOCJZCKC-HSZRJFAPSA-N 1 0 376.504 3.583 20 30 GHEDRO Cn1cc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c2cc(C#N)ccc21 ZINC001237468202 1042221071 /nfs/dbraw/zinc/22/10/71/1042221071.db2.gz XPKYFPJXSYPOLD-UHFFFAOYSA-N 1 0 394.482 3.503 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2cn(C)c3ccc(C#N)cc23)CCN1C(=O)OC(C)(C)C ZINC001237468610 1042221204 /nfs/dbraw/zinc/22/12/04/1042221204.db2.gz OQJFHWRIWUPAFW-MRXNPFEDSA-N 1 0 382.508 3.881 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c2cc(C#N)ccc21 ZINC001237471079 1042222757 /nfs/dbraw/zinc/22/27/57/1042222757.db2.gz ANYTVMMPOAZWBG-VDGAXYAQSA-N 1 0 394.519 3.785 20 30 GHEDRO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237471710 1042223086 /nfs/dbraw/zinc/22/30/86/1042223086.db2.gz YNBVISCDOPLPNI-KRWDZBQOSA-N 1 0 382.508 3.739 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c2cc(C#N)ccc21 ZINC001237473209 1042223951 /nfs/dbraw/zinc/22/39/51/1042223951.db2.gz HTEJIZYTLKZUCT-MJGOQNOKSA-N 1 0 394.519 3.881 20 30 GHEDRO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473833 1042224547 /nfs/dbraw/zinc/22/45/47/1042224547.db2.gz WHZPOTGKGKLXEY-CRAIPNDOSA-N 1 0 382.508 3.928 20 30 GHEDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001237489089 1042232321 /nfs/dbraw/zinc/23/23/21/1042232321.db2.gz FBRSMCFZZCDDIC-DEOSSOPVSA-N 1 0 391.515 3.691 20 30 GHEDRO C[N@H+](Cc1ccc(Cl)cc1)C1CCN(Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237615944 1042282926 /nfs/dbraw/zinc/28/29/26/1042282926.db2.gz AUNFTCDUWAUMTJ-UHFFFAOYSA-N 1 0 393.922 3.956 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cnc(C(F)(F)F)s3)C2)C1 ZINC001237947252 1042434650 /nfs/dbraw/zinc/43/46/50/1042434650.db2.gz MYVRUEUETKKCIS-INIZCTEOSA-N 1 0 389.443 3.772 20 30 GHEDRO CCOc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1C ZINC001238079811 1042483787 /nfs/dbraw/zinc/48/37/87/1042483787.db2.gz LDMZJIFBDUSKGG-XMMPIXPASA-N 1 0 389.499 3.894 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c(Cl)c1 ZINC001238081518 1042484964 /nfs/dbraw/zinc/48/49/64/1042484964.db2.gz BSNJWAWZNXMZHK-LJQANCHMSA-N 1 0 379.891 3.707 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c(Cl)c1 ZINC001238083494 1042485809 /nfs/dbraw/zinc/48/58/09/1042485809.db2.gz SLDCFXBTKRIVAB-UHFFFAOYSA-N 1 0 385.895 3.672 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001238277899 1042538733 /nfs/dbraw/zinc/53/87/33/1042538733.db2.gz XLWXPDQGNYIDKZ-IBGZPJMESA-N 1 0 383.602 3.658 20 30 GHEDRO COc1cc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)ccc1C#N ZINC001238405536 1042586088 /nfs/dbraw/zinc/58/60/88/1042586088.db2.gz FXZKLLKVDOHIFI-UHFFFAOYSA-N 1 0 388.446 3.764 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)ccc1C#N ZINC001238406348 1042586348 /nfs/dbraw/zinc/58/63/48/1042586348.db2.gz BGQCMKSNXLGDNF-NRFANRHFSA-N 1 0 389.499 3.547 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)ccc1C#N ZINC001238762471 1042719116 /nfs/dbraw/zinc/71/91/16/1042719116.db2.gz KSSZTXPSYQWYFK-QHCPKHFHSA-N 1 0 391.515 3.856 20 30 GHEDRO COc1cc(C)c(C)cc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001238764282 1042719529 /nfs/dbraw/zinc/71/95/29/1042719529.db2.gz SYTBPXSHZMYDKP-XMMPIXPASA-N 1 0 389.499 3.813 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(C#N)c(CC)c3)C2)cc1 ZINC001238771572 1042721649 /nfs/dbraw/zinc/72/16/49/1042721649.db2.gz GVJXBISRUZSXGD-QHCPKHFHSA-N 1 0 391.515 3.914 20 30 GHEDRO CCc1cc(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)ccc1C#N ZINC001238776009 1042723235 /nfs/dbraw/zinc/72/32/35/1042723235.db2.gz RKZBWKJACIVVAA-KMDXXIMOSA-N 1 0 391.515 3.712 20 30 GHEDRO CCCCCCCNC(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001239230745 1042791473 /nfs/dbraw/zinc/79/14/73/1042791473.db2.gz UEMVGHXWLDRUPL-PMACEKPBSA-N 1 0 389.540 3.715 20 30 GHEDRO [NH3+][C@@H]1CN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1F ZINC001239440949 1042830244 /nfs/dbraw/zinc/83/02/44/1042830244.db2.gz LDQRZAMDBWUCDF-GHMZBOCLSA-N 1 0 389.340 3.792 20 30 GHEDRO CC(C)(C)NC(=O)c1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239993702 1042869494 /nfs/dbraw/zinc/86/94/94/1042869494.db2.gz XOXWFASUYDSZRW-UHFFFAOYSA-N 1 0 377.488 3.884 20 30 GHEDRO CN1CC[NH+](Cc2ccc(-c3ccccc3C3(C#N)CCOCC3)cc2)CC1 ZINC001240408777 1042927177 /nfs/dbraw/zinc/92/71/77/1042927177.db2.gz PXXMJAJIEYZYQW-UHFFFAOYSA-N 1 0 375.516 3.673 20 30 GHEDRO CO/N=C/c1cc(-c2ccc(C3([NH+]4CCN(C)CC4)CC3)cc2)cc(F)c1F ZINC001240595929 1042945118 /nfs/dbraw/zinc/94/51/18/1042945118.db2.gz IAWZUUIUSWJWOT-MFKUBSTISA-N 1 0 385.458 3.849 20 30 GHEDRO C[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCC2)C1 ZINC001291046368 1043052881 /nfs/dbraw/zinc/05/28/81/1043052881.db2.gz PUXBGAZRGBTLJM-MOPGFXCFSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1C[C@H](N[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522373 1043447541 /nfs/dbraw/zinc/44/75/41/1043447541.db2.gz FWQPXLXSKHBPSP-KKLQWCBXSA-N 1 0 398.551 3.532 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001291761838 1043449433 /nfs/dbraw/zinc/44/94/33/1043449433.db2.gz QMEABLPCNMVZRE-AHRSYUTCSA-N 1 0 392.551 3.639 20 30 GHEDRO C[C@@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC001256553161 1043520921 /nfs/dbraw/zinc/52/09/21/1043520921.db2.gz GCXJHBQXFWDHAG-OFNKIYASSA-N 1 0 389.547 3.518 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001291967148 1043550004 /nfs/dbraw/zinc/55/00/04/1043550004.db2.gz HBYWUTJZXXIRHV-LJQANCHMSA-N 1 0 388.604 3.973 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001292113757 1043598214 /nfs/dbraw/zinc/59/82/14/1043598214.db2.gz GRLOUERYCUCQGH-UHFFFAOYSA-N 1 0 375.582 3.911 20 30 GHEDRO COc1cccc2c1CC[C@H]([NH+]1CCC(Oc3ccc(C#N)cc3OC)CC1)C2 ZINC001256653549 1043599355 /nfs/dbraw/zinc/59/93/55/1043599355.db2.gz DFXFQPOLMOJFPM-IBGZPJMESA-N 1 0 392.499 3.976 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCC(NC(=O)C(F)(F)F)CC3)CC2)cc1 ZINC001257021682 1043804417 /nfs/dbraw/zinc/80/44/17/1043804417.db2.gz ZURPXHQUNOMWLU-UHFFFAOYSA-N 1 0 379.426 3.727 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCC(NC(=O)c4ccccn4)CC3)CC2)cc1 ZINC001257021818 1043805849 /nfs/dbraw/zinc/80/58/49/1043805849.db2.gz CIJXZROROWAFKF-UHFFFAOYSA-N 1 0 388.515 3.874 20 30 GHEDRO COc1cc(C)nc(O[C@@H]2CC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)n1 ZINC001257023112 1043806922 /nfs/dbraw/zinc/80/69/22/1043806922.db2.gz VRVKPHGHMDEBPY-XVAXZDLZSA-N 1 0 392.503 3.845 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCC(NC(=O)c4cccnc4)CC3)CC2)cc1 ZINC001257022588 1043808092 /nfs/dbraw/zinc/80/80/92/1043808092.db2.gz NVDOYDQPHFKQAP-UHFFFAOYSA-N 1 0 388.515 3.874 20 30 GHEDRO CC[C@@H]1C[C@@H](N2CC(Oc3ccccc3C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257143459 1043893205 /nfs/dbraw/zinc/89/32/05/1043893205.db2.gz NODLQFAUZRKMCJ-MSOLQXFVSA-N 1 0 385.508 3.799 20 30 GHEDRO CC[C@H]1C[C@@H](N2CC(Oc3ccccc3C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257143463 1043894495 /nfs/dbraw/zinc/89/44/95/1043894495.db2.gz NODLQFAUZRKMCJ-ROUUACIJSA-N 1 0 385.508 3.799 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(C)C ZINC001292957982 1043965445 /nfs/dbraw/zinc/96/54/45/1043965445.db2.gz QUTIWXIEPFLMAZ-MSOLQXFVSA-N 1 0 385.335 3.842 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC001292959297 1043966274 /nfs/dbraw/zinc/96/62/74/1043966274.db2.gz YDROVVIKFQYBBY-QZTJIDSGSA-N 1 0 384.442 3.554 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001293023932 1043989896 /nfs/dbraw/zinc/98/98/96/1043989896.db2.gz UUFFJKBQPQLHKH-UHFFFAOYSA-N 1 0 381.561 3.618 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257589937 1044073564 /nfs/dbraw/zinc/07/35/64/1044073564.db2.gz MDEYODCCAKBTIW-RMFSNUHRSA-N 1 0 398.551 3.857 20 30 GHEDRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001293301070 1044099189 /nfs/dbraw/zinc/09/91/89/1044099189.db2.gz FMYZSKKBRWYTMA-WAOWUJCRSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001293305709 1044102118 /nfs/dbraw/zinc/10/21/18/1044102118.db2.gz RZKWUFIXBWAKJB-RXVVDRJESA-N 1 0 392.551 3.927 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](C3CCC(OCc4ccccc4)CC3)CC2)c1 ZINC001257834699 1044211052 /nfs/dbraw/zinc/21/10/52/1044211052.db2.gz VOUXTCJMMZEKOV-UHFFFAOYSA-N 1 0 376.504 3.603 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C[C@H](C1)C2 ZINC001257887145 1044245181 /nfs/dbraw/zinc/24/51/81/1044245181.db2.gz VTLOYFDSKRGCQY-ZZJWQFMZSA-N 1 0 376.541 3.737 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCO[C@]4(CCCN(C(=O)c5ccco5)C4)C3)C[C@H](C1)C2 ZINC001257893685 1044249059 /nfs/dbraw/zinc/24/90/59/1044249059.db2.gz XSIOSMHKGKMEAO-QNLWVQNGSA-N 1 0 384.520 3.722 20 30 GHEDRO CCCCCCC[C@@H](C)N1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258047203 1044369488 /nfs/dbraw/zinc/36/94/88/1044369488.db2.gz IWVUVCJWPBWRGP-UXHICEINSA-N 1 0 375.605 3.756 20 30 GHEDRO CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001293905110 1044371917 /nfs/dbraw/zinc/37/19/17/1044371917.db2.gz MZJSWNSQSLGJLV-SJORKVTESA-N 1 0 380.540 3.924 20 30 GHEDRO CCOC(=O)CCC[C@@H](C)[NH2+][C@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001258113670 1044402408 /nfs/dbraw/zinc/40/24/08/1044402408.db2.gz YUPYQEHEALRHEO-HZPDHXFCSA-N 1 0 383.492 3.816 20 30 GHEDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc(C#C[Si](C)(C)C)cc3)o2)C[C@H](C)O1 ZINC001258144190 1044431237 /nfs/dbraw/zinc/43/12/37/1044431237.db2.gz AZWJMXSTFGDBPH-IRXDYDNUSA-N 1 0 383.568 3.617 20 30 GHEDRO C[C@H]1C[NH+](CCc2nnc(-c3cccc(-c4cccc(C#N)c4)c3)o2)C[C@H](C)O1 ZINC001258152844 1044440873 /nfs/dbraw/zinc/44/08/73/1044440873.db2.gz LXZIJXBBBPPGBD-IRXDYDNUSA-N 1 0 388.471 3.927 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C3CCN(c4cccc(F)c4)CC3)CC2)c1 ZINC001258416022 1044548542 /nfs/dbraw/zinc/54/85/42/1044548542.db2.gz GYNFAUXVQLXQLI-UHFFFAOYSA-N 1 0 392.522 3.920 20 30 GHEDRO CCC[N@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)C#N ZINC001294514282 1044677268 /nfs/dbraw/zinc/67/72/68/1044677268.db2.gz QKSZNHOYGNLLQW-MRXNPFEDSA-N 1 0 388.947 3.926 20 30 GHEDRO C=CCC[C@H](C)[NH2+]CCN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001258724514 1044734673 /nfs/dbraw/zinc/73/46/73/1044734673.db2.gz YLLDDRGNHIQEFE-INIZCTEOSA-N 1 0 385.549 3.693 20 30 GHEDRO C=CCC[C@@H](C)[NH+]1CCC(c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1 ZINC001258730920 1044735862 /nfs/dbraw/zinc/73/58/62/1044735862.db2.gz QMGVPWGMFFSKHM-OAHLLOKOSA-N 1 0 389.521 3.674 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)C1 ZINC001296035035 1045228231 /nfs/dbraw/zinc/22/82/31/1045228231.db2.gz AEPLHPIIHYSCIR-BJLQDIEVSA-N 1 0 392.551 3.641 20 30 GHEDRO CCCc1c(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC001296631667 1045347453 /nfs/dbraw/zinc/34/74/53/1045347453.db2.gz HUSRIEZFLZLRBZ-GOSISDBHSA-N 1 0 379.508 3.755 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cnn(-c2ccccc2C)c1C(F)F ZINC001297373496 1045505071 /nfs/dbraw/zinc/50/50/71/1045505071.db2.gz VSJWPWWVMPUCKY-UHFFFAOYSA-N 1 0 376.451 3.698 20 30 GHEDRO C#C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Br)cc1 ZINC001298538590 1045861636 /nfs/dbraw/zinc/86/16/36/1045861636.db2.gz JAZNZTHRUNHWIR-VQTJNVASSA-N 1 0 397.316 3.904 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Br)cc1 ZINC001298538589 1045861757 /nfs/dbraw/zinc/86/17/57/1045861757.db2.gz JAZNZTHRUNHWIR-UXHICEINSA-N 1 0 397.316 3.904 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccc(F)cc1 ZINC001261214522 1045924276 /nfs/dbraw/zinc/92/42/76/1045924276.db2.gz XKCXIZDFLURBBR-QFIPXVFZSA-N 1 0 379.479 3.726 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2c[nH]c3cccc(C#N)c32)[NH+](C)C)cc1 ZINC001298722822 1045930951 /nfs/dbraw/zinc/93/09/51/1045930951.db2.gz QFHGSVCEUYNJDJ-OAQYLSRUSA-N 1 0 390.487 3.859 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC001261435738 1045997437 /nfs/dbraw/zinc/99/74/37/1045997437.db2.gz DAYDXBLPOZRDKC-UHFFFAOYSA-N 1 0 390.487 3.805 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)n1CC1CC1 ZINC001261526772 1046020936 /nfs/dbraw/zinc/02/09/36/1046020936.db2.gz VKURFHMORCQZHV-UHFFFAOYSA-N 1 0 390.531 3.781 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@@H]1CCCC[N@H+]1CC ZINC001300797650 1046166543 /nfs/dbraw/zinc/16/65/43/1046166543.db2.gz GJNDVZNCWACYRY-FDDCHVKYSA-N 1 0 395.526 3.951 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC[N@@H+](C)[C@@H](C)CC ZINC001300809379 1046179067 /nfs/dbraw/zinc/17/90/67/1046179067.db2.gz ZPNCCWJRPUUNMN-FDDCHVKYSA-N 1 0 397.542 3.730 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001300914062 1046237790 /nfs/dbraw/zinc/23/77/90/1046237790.db2.gz AVPNIXHKLQUMOP-RBUKOAKNSA-N 1 0 399.539 3.615 20 30 GHEDRO C=C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001301080953 1046325654 /nfs/dbraw/zinc/32/56/54/1046325654.db2.gz XOWUKZUQCCKLGC-IBGZPJMESA-N 1 0 395.555 3.546 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301086007 1046328876 /nfs/dbraw/zinc/32/88/76/1046328876.db2.gz RZELEFXYYWPUBY-NHCUHLMSSA-N 1 0 395.551 3.550 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001301113966 1046350135 /nfs/dbraw/zinc/35/01/35/1046350135.db2.gz IUENHBRXHKMJCZ-KRWDZBQOSA-N 1 0 383.540 3.981 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001301270336 1046441434 /nfs/dbraw/zinc/44/14/34/1046441434.db2.gz HARHZRAOOUDKHU-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001301271168 1046442682 /nfs/dbraw/zinc/44/26/82/1046442682.db2.gz XLWMNJJNYRJGAB-IBGZPJMESA-N 1 0 383.540 3.840 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[NH+]1CCCCC1 ZINC001301281103 1046451590 /nfs/dbraw/zinc/45/15/90/1046451590.db2.gz BQUWZVOIJKGVCM-UHFFFAOYSA-N 1 0 389.931 3.715 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCCCC1 ZINC001301281805 1046451737 /nfs/dbraw/zinc/45/17/37/1046451737.db2.gz ZKJKOZCCNAKTQO-UHFFFAOYSA-N 1 0 388.947 3.880 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001301282392 1046451873 /nfs/dbraw/zinc/45/18/73/1046451873.db2.gz CSYUWKBADFAFLS-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCn1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(C#N)CCCCC1 ZINC001262992818 1046477199 /nfs/dbraw/zinc/47/71/99/1046477199.db2.gz HZJCSMAHDBZBDR-UYAOXDASSA-N 1 0 394.567 3.643 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCC[N@H+]1CCC)C1CC1 ZINC001301323851 1046487690 /nfs/dbraw/zinc/48/76/90/1046487690.db2.gz NCIFQOWRBJBLKE-IBGZPJMESA-N 1 0 382.556 3.703 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1CCC1CC[NH+](CC)CC1)C1CC1 ZINC001301330077 1046493200 /nfs/dbraw/zinc/49/32/00/1046493200.db2.gz SPMRPQAGKKTWFI-UHFFFAOYSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCCC1)C(C)C ZINC001301367237 1046511808 /nfs/dbraw/zinc/51/18/08/1046511808.db2.gz MBIYXNPCARTZFC-HXUWFJFHSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001301397301 1046524918 /nfs/dbraw/zinc/52/49/18/1046524918.db2.gz QDJKSBXTXITHJV-UYAOXDASSA-N 1 0 397.523 3.738 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(CC#N)c2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001263302916 1046700699 /nfs/dbraw/zinc/70/06/99/1046700699.db2.gz HRXYSDLEKFXXPE-UHFFFAOYSA-N 1 0 392.551 3.898 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2-c2ccco2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001263325683 1046713406 /nfs/dbraw/zinc/71/34/06/1046713406.db2.gz CFVKPJIQRJAPAS-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC001301882287 1046745637 /nfs/dbraw/zinc/74/56/37/1046745637.db2.gz RHRYPJCPZFSWOZ-JTSKRJEESA-N 1 0 391.490 3.756 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001263406137 1046790037 /nfs/dbraw/zinc/79/00/37/1046790037.db2.gz YWQLDQCZQHWCFK-HSALFYBXSA-N 1 0 384.572 3.509 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1cccs1 ZINC001263498493 1046908353 /nfs/dbraw/zinc/90/83/53/1046908353.db2.gz HIPBQKWLCQQBKI-MSOLQXFVSA-N 1 0 398.580 3.860 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC001302707395 1047054358 /nfs/dbraw/zinc/05/43/58/1047054358.db2.gz ROCPIZCFWFJBKE-UHFFFAOYSA-N 1 0 399.454 3.863 20 30 GHEDRO CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001302841349 1047135502 /nfs/dbraw/zinc/13/55/02/1047135502.db2.gz KMTZCDZSLVLEMF-OAQYLSRUSA-N 1 0 396.583 3.961 20 30 GHEDRO COc1cccc(C[N@H+](C)C[C@H](O)CC2(C#N)CC2)c1OCc1ccccc1F ZINC000599404534 1047532943 /nfs/dbraw/zinc/53/29/43/1047532943.db2.gz JILXLEIRERWMTQ-LJQANCHMSA-N 1 0 398.478 3.900 20 30 GHEDRO Cc1ccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H](C)CC#N)[NH+](C)C)cc1 ZINC001304276937 1047634236 /nfs/dbraw/zinc/63/42/36/1047634236.db2.gz WOZDFSGPHFWKAY-FXAWDEMLSA-N 1 0 391.523 3.623 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304311010 1047641494 /nfs/dbraw/zinc/64/14/94/1047641494.db2.gz JPUMDGMQSIVXQM-UHFFFAOYSA-N 1 0 384.528 3.564 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CC1([NH+](C)C)CCC1 ZINC001304528450 1047701925 /nfs/dbraw/zinc/70/19/25/1047701925.db2.gz KGMGRCISTDVXLB-UHFFFAOYSA-N 1 0 392.551 3.868 20 30 GHEDRO Cn1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2sc(Cl)nc2Cl)cc1C#N ZINC001279170581 1047735760 /nfs/dbraw/zinc/73/57/60/1047735760.db2.gz BOXZNJKLVSBNGE-KBPBESRZSA-N 1 0 396.347 3.509 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CCN(Cc4cccc(Cl)c4Cl)[C@@H]3C2)cc1C#N ZINC001279201225 1047741315 /nfs/dbraw/zinc/74/13/15/1047741315.db2.gz DKWMJXJJCQDILE-HNAYVOBHSA-N 1 0 389.330 3.910 20 30 GHEDRO Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001304804788 1047775266 /nfs/dbraw/zinc/77/52/66/1047775266.db2.gz MGJGUZGTRCHOED-QUCCMNQESA-N 1 0 398.580 3.861 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1)[NH+]1CCC(C)CC1 ZINC001305061938 1047868881 /nfs/dbraw/zinc/86/88/81/1047868881.db2.gz HEJLBXPQGJZXIN-SFHVURJKSA-N 1 0 378.524 3.537 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1)[NH+]1CCC(C)CC1 ZINC001305061937 1047869565 /nfs/dbraw/zinc/86/95/65/1047869565.db2.gz HEJLBXPQGJZXIN-GOSISDBHSA-N 1 0 378.524 3.537 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001305144053 1047916599 /nfs/dbraw/zinc/91/65/99/1047916599.db2.gz UOPANSAGEPCYBW-SJORKVTESA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001279831567 1047962571 /nfs/dbraw/zinc/96/25/71/1047962571.db2.gz KSIRAZLLMUDDFR-OTWHNJEPSA-N 1 0 380.598 3.566 20 30 GHEDRO C=CCC1(S(=O)(=O)N[C@@]23CC[C@@]([NH2+]CCCC(F)(F)F)(C2)CCC3)CC1 ZINC001279834143 1047963633 /nfs/dbraw/zinc/96/36/33/1047963633.db2.gz FWMVTACGTQLJCI-CVEARBPZSA-N 1 0 394.503 3.792 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)cc1 ZINC001279912685 1047987605 /nfs/dbraw/zinc/98/76/05/1047987605.db2.gz LVFRIKGDXYERTJ-UHFFFAOYSA-N 1 0 382.455 3.605 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1ccc(C#N)o1 ZINC001305445470 1048058363 /nfs/dbraw/zinc/05/83/63/1048058363.db2.gz QTYFYQXJSQVKIK-MSOLQXFVSA-N 1 0 396.539 3.617 20 30 GHEDRO C=CCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1ncnc2sc(C)cc21 ZINC001280119999 1048091386 /nfs/dbraw/zinc/09/13/86/1048091386.db2.gz BTABGXWXLQKSRX-HNNXBMFYSA-N 1 0 388.562 3.712 20 30 GHEDRO CC(C)=CCC[C@H](C)C[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1(C#N)CCC1 ZINC001280250037 1048146498 /nfs/dbraw/zinc/14/64/98/1048146498.db2.gz ZNVUWDWEYVAWPV-ZWKOTPCHSA-N 1 0 375.582 3.739 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CCC[C@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)CCC1 ZINC001280311012 1048174882 /nfs/dbraw/zinc/17/48/82/1048174882.db2.gz RNYWSOQFFAGUGA-CRAIPNDOSA-N 1 0 377.941 3.956 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001305656675 1048204835 /nfs/dbraw/zinc/20/48/35/1048204835.db2.gz QKTOGLZBFCNVFW-PZJWPPBQSA-N 1 0 394.567 3.902 20 30 GHEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC1)[NH+](C)C ZINC001305707036 1048225466 /nfs/dbraw/zinc/22/54/66/1048225466.db2.gz XUJSBOSEKJDSKH-FQEVSTJZSA-N 1 0 380.540 3.782 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001286282711 1048252387 /nfs/dbraw/zinc/25/23/87/1048252387.db2.gz PGGIWESZCMXHIZ-UWJYYQICSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)[NH+](CC)CC ZINC001286288270 1048256394 /nfs/dbraw/zinc/25/63/94/1048256394.db2.gz RVSZPYWBVZSSAK-ROUUACIJSA-N 1 0 392.551 3.625 20 30 GHEDRO C#CCCCn1c(Cc2ccccc2F)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286351340 1048282498 /nfs/dbraw/zinc/28/24/98/1048282498.db2.gz PQQQGHSTYZFSMJ-UHFFFAOYSA-N 1 0 397.542 3.732 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001286374095 1048297451 /nfs/dbraw/zinc/29/74/51/1048297451.db2.gz VMWIGTBUBJLMLI-FQEVSTJZSA-N 1 0 393.579 3.759 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)(C)C)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001286435696 1048319387 /nfs/dbraw/zinc/31/93/87/1048319387.db2.gz GTCKQNFQBBWALF-NRFANRHFSA-N 1 0 393.579 3.946 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CC1CC[NH+](CCC)CC1 ZINC001286445953 1048326562 /nfs/dbraw/zinc/32/65/62/1048326562.db2.gz DEZKUAFDILGTGC-UHFFFAOYSA-N 1 0 397.542 3.590 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286579365 1048373361 /nfs/dbraw/zinc/37/33/61/1048373361.db2.gz NTDQDKWQLCLWJD-HXUWFJFHSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC001286620033 1048391461 /nfs/dbraw/zinc/39/14/61/1048391461.db2.gz ZBIJYESQFRLNBX-SFHLNBCPSA-N 1 0 395.551 3.762 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286644058 1048409165 /nfs/dbraw/zinc/40/91/65/1048409165.db2.gz GMXUIVAUJHWSSI-FQEVSTJZSA-N 1 0 394.567 3.865 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001286667171 1048432876 /nfs/dbraw/zinc/43/28/76/1048432876.db2.gz PPYCNPDULBJPNZ-QGZVFWFLSA-N 1 0 397.571 3.819 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001286720202 1048476266 /nfs/dbraw/zinc/47/62/66/1048476266.db2.gz USJYQQBEYJKTFT-IBGZPJMESA-N 1 0 397.567 3.631 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001286725249 1048482138 /nfs/dbraw/zinc/48/21/38/1048482138.db2.gz QNABBAQZWPWYIW-MOPGFXCFSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCN(c1nnc(C(C)C)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C)C1CC1 ZINC001286731782 1048490112 /nfs/dbraw/zinc/49/01/12/1048490112.db2.gz FJGXNHKKNWIYIY-FQEVSTJZSA-N 1 0 383.540 3.868 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286753800 1048506406 /nfs/dbraw/zinc/50/64/06/1048506406.db2.gz KKBRIIFJWLKIGC-LJQANCHMSA-N 1 0 380.540 3.641 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCC[C@H]1C ZINC001286758274 1048511220 /nfs/dbraw/zinc/51/12/20/1048511220.db2.gz IFZXOQXQLDZVFW-GOSISDBHSA-N 1 0 383.515 3.671 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286800142 1048528287 /nfs/dbraw/zinc/52/82/87/1048528287.db2.gz GYCWIFRLIILYMB-UAFMIMERSA-N 1 0 389.588 3.693 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001306344924 1048583100 /nfs/dbraw/zinc/58/31/00/1048583100.db2.gz KZLSDUCFQPBDGP-YLJYHZDGSA-N 1 0 380.540 3.926 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001306366200 1048603072 /nfs/dbraw/zinc/60/30/72/1048603072.db2.gz DIXSFEVXIXLACO-IAGOWNOFSA-N 1 0 378.524 3.536 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001287237945 1048676051 /nfs/dbraw/zinc/67/60/51/1048676051.db2.gz CRLDJPQTESVLAH-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001287240010 1048677858 /nfs/dbraw/zinc/67/78/58/1048677858.db2.gz VHPJMBQDYMJDGF-WIYYLYMNSA-N 1 0 392.551 3.926 20 30 GHEDRO CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001306693346 1048821787 /nfs/dbraw/zinc/82/17/87/1048821787.db2.gz HOYODNXSLJUAAE-FQEVSTJZSA-N 1 0 380.540 3.927 20 30 GHEDRO N#Cc1cc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc(C2CC2)n1 ZINC001306961366 1048981426 /nfs/dbraw/zinc/98/14/26/1048981426.db2.gz XSDRYMMUXDOPRC-UHFFFAOYSA-N 1 0 396.926 3.503 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCC2)CC1 ZINC001307035489 1049029311 /nfs/dbraw/zinc/02/93/11/1049029311.db2.gz VCFDNHFAZKRPAX-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001307056304 1049044517 /nfs/dbraw/zinc/04/45/17/1049044517.db2.gz CXVGCAXIRHQJAU-LJQANCHMSA-N 1 0 386.588 3.871 20 30 GHEDRO N#Cc1cnc(N2CCN(c3cc[nH+]c4ccccc43)CC2)c(Br)c1 ZINC001307157113 1049109387 /nfs/dbraw/zinc/10/93/87/1049109387.db2.gz SDLXVDBZUOZDHA-UHFFFAOYSA-N 1 0 394.276 3.591 20 30 GHEDRO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(CCC#N)CC1CC1)[NH+](C)C ZINC001288606202 1049158160 /nfs/dbraw/zinc/15/81/60/1049158160.db2.gz APOIINMSFSBTMD-INIZCTEOSA-N 1 0 392.507 3.771 20 30 GHEDRO Cc1cccc(C)c1OCCNC(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001307439564 1049274531 /nfs/dbraw/zinc/27/45/31/1049274531.db2.gz XWFRONPGANLIAU-UHFFFAOYSA-N 1 0 393.531 3.828 20 30 GHEDRO CCC[N@H+]([C@@H]1C[C@@H](OCC)C1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307481368 1049320816 /nfs/dbraw/zinc/32/08/16/1049320816.db2.gz FONVACMHYYXSEA-NJDAHSKKSA-N 1 0 383.536 3.969 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC(C)(C)[C@H]3C)sc2C1 ZINC001307530647 1049375975 /nfs/dbraw/zinc/37/59/75/1049375975.db2.gz PIWFTQYFKHKOBQ-ZIAGYGMSSA-N 1 0 375.538 3.572 20 30 GHEDRO C=CCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001307586348 1049425473 /nfs/dbraw/zinc/42/54/73/1049425473.db2.gz VNQZPWZNOGIWEO-RBUKOAKNSA-N 1 0 393.572 3.570 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC001307625652 1049459736 /nfs/dbraw/zinc/45/97/36/1049459736.db2.gz DGVWTKBHNCDELF-QFIPXVFZSA-N 1 0 381.495 3.771 20 30 GHEDRO CC(C)c1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC001307651918 1049479384 /nfs/dbraw/zinc/47/93/84/1049479384.db2.gz WCEHZGROQOCLPG-PKTZIBPZSA-N 1 0 396.579 3.639 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC001289797744 1049632381 /nfs/dbraw/zinc/63/23/81/1049632381.db2.gz OCOWKCIIMUUCCX-PGRDOPGGSA-N 1 0 379.504 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](Cc3cc(C#N)ccn3)CC2)C1 ZINC001307924172 1049698747 /nfs/dbraw/zinc/69/87/47/1049698747.db2.gz PZMAFINONAPECW-IBGZPJMESA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC001307937683 1049710659 /nfs/dbraw/zinc/71/06/59/1049710659.db2.gz BLETXOHTJXLOFZ-IEBWSBKVSA-N 1 0 376.378 3.851 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001307947657 1049715906 /nfs/dbraw/zinc/71/59/06/1049715906.db2.gz OHVHRNDOHJMFBE-POTGORPSSA-N 1 0 383.536 3.982 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)CCc3cccc4ccccc43)CC2)cc1 ZINC001290045718 1049718528 /nfs/dbraw/zinc/71/85/28/1049718528.db2.gz KEEBHZHZLYIMTH-UHFFFAOYSA-N 1 0 383.495 3.988 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(N(C)CC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308076187 1049822165 /nfs/dbraw/zinc/82/21/65/1049822165.db2.gz UBKFYLMCKIKSLF-UHFFFAOYSA-N 1 0 385.552 3.977 20 30 GHEDRO COCC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308083971 1049829395 /nfs/dbraw/zinc/82/93/95/1049829395.db2.gz YHVCXHDFPOLFCG-QHCPKHFHSA-N 1 0 391.515 3.819 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCSC[C@@H]3C)sc2C1 ZINC001308140659 1049878943 /nfs/dbraw/zinc/87/89/43/1049878943.db2.gz ICIDMFWMWUNCDP-KGLIPLIRSA-N 1 0 377.579 3.901 20 30 GHEDRO CCOc1ccc(Cl)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308369043 1049959995 /nfs/dbraw/zinc/95/99/95/1049959995.db2.gz GGXOPNGBWKBTTP-IBGZPJMESA-N 1 0 383.879 3.896 20 30 GHEDRO Cn1cc(C[NH2+]CCOc2ccc(F)c(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC001308411440 1049969810 /nfs/dbraw/zinc/96/98/10/1049969810.db2.gz PTRTXVPPUCEDGA-UHFFFAOYSA-N 1 0 384.842 3.920 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)ccc1OC ZINC001308415752 1049970775 /nfs/dbraw/zinc/97/07/75/1049970775.db2.gz DBJXUQYHNPUQIT-KRWDZBQOSA-N 1 0 384.451 3.684 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1OC ZINC001308531868 1050000142 /nfs/dbraw/zinc/00/01/42/1050000142.db2.gz CEGYYNQFWBBZLG-IFXJQAMLSA-N 1 0 394.309 3.824 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(Br)cc1O ZINC001308794182 1050097190 /nfs/dbraw/zinc/09/71/90/1050097190.db2.gz JLPXIZAHTHLACW-UHFFFAOYSA-N 1 0 375.266 3.675 20 30 GHEDRO CC(C)(C)OC(=O)NCCN1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC001308826317 1050110987 /nfs/dbraw/zinc/11/09/87/1050110987.db2.gz UTMQPYIRVINXJK-NRFANRHFSA-N 1 0 398.551 3.514 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1(C)C ZINC001308891179 1050142154 /nfs/dbraw/zinc/14/21/54/1050142154.db2.gz MHNHVTOWAHSXLX-VQTJNVASSA-N 1 0 398.551 3.808 20 30 GHEDRO C=CCN1CCC(NS(=O)(=O)c2ccc(OCCCC)c(C(C)C)c2)CC1 ZINC001309159321 1050413076 /nfs/dbraw/zinc/41/30/76/1050413076.db2.gz DTEZKMDOENGWAQ-UHFFFAOYSA-N 1 0 394.581 3.918 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccc(OC)cc2OC)cc1 ZINC001328570151 1050546436 /nfs/dbraw/zinc/54/64/36/1050546436.db2.gz LXGDCUUNYOWEIH-HTAPYJJXSA-N 1 0 398.503 3.692 20 30 GHEDRO CC(C)(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1 ZINC001329210628 1050747952 /nfs/dbraw/zinc/74/79/52/1050747952.db2.gz TUSBIIUGSSVLCB-GOSISDBHSA-N 1 0 381.545 3.926 20 30 GHEDRO C[NH+](C)CCn1ncc(C(=O)N2CCCc3c(C#N)cccc32)c1-c1ccccc1 ZINC001329540050 1050834614 /nfs/dbraw/zinc/83/46/14/1050834614.db2.gz RBONUDQMVOOALD-UHFFFAOYSA-N 1 0 399.498 3.576 20 30 GHEDRO CCc1ccc([C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2cccc(F)c2)cc1 ZINC001330880462 1051138385 /nfs/dbraw/zinc/13/83/85/1051138385.db2.gz RZXKHEJJVFJSQM-CYIBOSRVSA-N 1 0 391.490 3.733 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001310088487 1051148023 /nfs/dbraw/zinc/14/80/23/1051148023.db2.gz FJEOUQZKEUWRST-UHFFFAOYSA-N 1 0 382.411 3.515 20 30 GHEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC001310364324 1051309835 /nfs/dbraw/zinc/30/98/35/1051309835.db2.gz PRVHLZNMEVLFTF-YJBOKZPZSA-N 1 0 380.423 3.657 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001310374370 1051316775 /nfs/dbraw/zinc/31/67/75/1051316775.db2.gz OHDSZLVTDGPGPH-HSZRJFAPSA-N 1 0 395.478 3.871 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC001310641371 1051505366 /nfs/dbraw/zinc/50/53/66/1051505366.db2.gz KPDBDPRHHIBBTK-UHFFFAOYSA-N 1 0 384.402 3.700 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CCC[N@@H+]4CCC[C@@H]4C3)c(=S)o2)cc1 ZINC001333418845 1051736504 /nfs/dbraw/zinc/73/65/04/1051736504.db2.gz HGJVNACIELPPDD-QGZVFWFLSA-N 1 0 386.521 3.565 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001311144468 1051902991 /nfs/dbraw/zinc/90/29/91/1051902991.db2.gz ICWZNWUQINVQND-QGZVFWFLSA-N 1 0 396.457 3.925 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)n3)cc2)C1 ZINC001311156428 1051911226 /nfs/dbraw/zinc/91/12/26/1051911226.db2.gz AYJKZBDODCRWIP-QGZVFWFLSA-N 1 0 377.492 3.701 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]CCCCc2nc(-c3cccnc3)cs2)cc1 ZINC001335365765 1052085051 /nfs/dbraw/zinc/08/50/51/1052085051.db2.gz JDDLDZKYITWZIF-HXUWFJFHSA-N 1 0 378.501 3.723 20 30 GHEDRO O[C@H](CC[C@H](O)C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001335460385 1052107811 /nfs/dbraw/zinc/10/78/11/1052107811.db2.gz NOXKLYPIOUNOEZ-VQTJNVASSA-N 1 0 377.406 3.521 20 30 GHEDRO CCC[NH+](CCC)CCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001311516397 1052214454 /nfs/dbraw/zinc/21/44/54/1052214454.db2.gz QVIGKIWBSQFODE-UHFFFAOYSA-N 1 0 383.458 3.868 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)C[C@@H]2C1 ZINC001336095140 1052226756 /nfs/dbraw/zinc/22/67/56/1052226756.db2.gz LSAWFGGMWCWEST-XMTFNYHQSA-N 1 0 394.441 3.533 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336273556 1052251143 /nfs/dbraw/zinc/25/11/43/1052251143.db2.gz OVFYEBZSBSPKNO-NFBKMPQASA-N 1 0 395.478 3.779 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC001311619481 1052285056 /nfs/dbraw/zinc/28/50/56/1052285056.db2.gz PAGZSBRMTAUOCT-MOPGFXCFSA-N 1 0 391.849 3.895 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3Cl)CC2)c1 ZINC001336800697 1052338336 /nfs/dbraw/zinc/33/83/36/1052338336.db2.gz SPFBFNZKSARSIV-OAQYLSRUSA-N 1 0 387.886 3.638 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001312581724 1052799223 /nfs/dbraw/zinc/79/92/23/1052799223.db2.gz GOEVWUARMIPKFN-JXFKEZNVSA-N 1 0 396.922 3.779 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](CC)CC)CC1 ZINC001312787801 1052870293 /nfs/dbraw/zinc/87/02/93/1052870293.db2.gz UMNAREIZEPGJJG-NRFANRHFSA-N 1 0 387.568 3.745 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001313166325 1052974664 /nfs/dbraw/zinc/97/46/64/1052974664.db2.gz BUHNFDAKHRDMRX-LJQANCHMSA-N 1 0 382.533 3.816 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@H]3CCCC3(F)F)CC2)cc1 ZINC001313206326 1052984641 /nfs/dbraw/zinc/98/46/41/1052984641.db2.gz AGAHUOYWKYXZDT-LJQANCHMSA-N 1 0 390.478 3.601 20 30 GHEDRO CSc1ccc(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1C#N ZINC001313292111 1053009377 /nfs/dbraw/zinc/00/93/77/1053009377.db2.gz QOXVGJMQNFBKOZ-UHFFFAOYSA-N 1 0 396.560 3.990 20 30 GHEDRO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2CC=C)C1 ZINC001342455991 1053179286 /nfs/dbraw/zinc/17/92/86/1053179286.db2.gz SZJNGCRXRMNMCK-ICSRJNTNSA-N 1 0 385.556 3.573 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001313891448 1053272660 /nfs/dbraw/zinc/27/26/60/1053272660.db2.gz SDLIIRNWWLEQDO-QGZVFWFLSA-N 1 0 398.942 3.680 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001342675995 1053293077 /nfs/dbraw/zinc/29/30/77/1053293077.db2.gz WEJHMLBHWBQHAW-MSOLQXFVSA-N 1 0 375.561 3.795 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1C1(OCC)CCC1 ZINC001342723350 1053320456 /nfs/dbraw/zinc/32/04/56/1053320456.db2.gz XGRFYILVOVBWGA-UHFFFAOYSA-N 1 0 387.572 3.725 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001342924843 1053439338 /nfs/dbraw/zinc/43/93/38/1053439338.db2.gz OMCLUDMISAKEIQ-HSALFYBXSA-N 1 0 382.556 3.574 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(N2CCC(C#N)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001314656416 1053552989 /nfs/dbraw/zinc/55/29/89/1053552989.db2.gz YHOUWMDKYLXRJE-LJQANCHMSA-N 1 0 380.540 3.618 20 30 GHEDRO CN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314787701 1053611848 /nfs/dbraw/zinc/61/18/48/1053611848.db2.gz NIEZFVHJROGALG-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001314925749 1053676333 /nfs/dbraw/zinc/67/63/33/1053676333.db2.gz ALYVCTLCFWMXRR-AVRDEDQJSA-N 1 0 396.514 3.507 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001343457393 1053782813 /nfs/dbraw/zinc/78/28/13/1053782813.db2.gz OFANWMUWPAHLQM-FQEVSTJZSA-N 1 0 387.572 3.939 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC001343483351 1053799927 /nfs/dbraw/zinc/79/99/27/1053799927.db2.gz DZKVRZKNSMWJOI-MOPGFXCFSA-N 1 0 388.284 3.995 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001343496357 1053813881 /nfs/dbraw/zinc/81/38/81/1053813881.db2.gz ZBJSQECWGGYYSA-DLBZAZTESA-N 1 0 381.515 3.925 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3cccnc23)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001343703657 1053977938 /nfs/dbraw/zinc/97/79/38/1053977938.db2.gz BRNKQVSLMMPHJD-KRWDZBQOSA-N 1 0 393.539 3.566 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001318281584 1054543632 /nfs/dbraw/zinc/54/36/32/1054543632.db2.gz NYEGUQFDWMDRAQ-QGZVFWFLSA-N 1 0 379.464 3.599 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC001344767869 1054731323 /nfs/dbraw/zinc/73/13/23/1054731323.db2.gz ZKKSREQMCLNUBY-LLVKDONJSA-N 1 0 386.311 3.785 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318894314 1054940229 /nfs/dbraw/zinc/94/02/29/1054940229.db2.gz WJOWVSMHDVHBCQ-NQIIRXRSSA-N 1 0 397.544 3.599 20 30 GHEDRO CCn1nc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C1CC1 ZINC001345248674 1054959107 /nfs/dbraw/zinc/95/91/07/1054959107.db2.gz UIKXPQKOVBRLGW-UHFFFAOYSA-N 1 0 392.503 3.743 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cc3ccccc3[nH]2)c(OC)c1 ZINC001319009208 1054988257 /nfs/dbraw/zinc/98/82/57/1054988257.db2.gz AONGHXGOIBHPRC-FQEVSTJZSA-N 1 0 380.488 3.777 20 30 GHEDRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc(Cl)c1OC ZINC001319993763 1055583495 /nfs/dbraw/zinc/58/34/95/1055583495.db2.gz HOURGHHVALLXTB-UHFFFAOYSA-N 1 0 396.878 3.919 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC001320897022 1056005011 /nfs/dbraw/zinc/00/50/11/1056005011.db2.gz HEOYIBYLIAMEAR-QFIPXVFZSA-N 1 0 393.531 3.902 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(Nc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC001321131403 1056111469 /nfs/dbraw/zinc/11/14/69/1056111469.db2.gz QQUJSINOJAFJDV-UHFFFAOYSA-N 1 0 386.503 3.935 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccsc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300470601 1056209430 /nfs/dbraw/zinc/20/94/30/1056209430.db2.gz RMRYVNRCFCISEY-UHFFFAOYSA-N 1 0 385.581 3.512 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)[C@H](C)C1 ZINC001354158469 1056381451 /nfs/dbraw/zinc/38/14/51/1056381451.db2.gz MYIAAVYDMNRCLJ-QUCCMNQESA-N 1 0 394.567 3.684 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300581739 1056538359 /nfs/dbraw/zinc/53/83/59/1056538359.db2.gz YFUWYFOKCLFYAM-HXUWFJFHSA-N 1 0 381.568 3.519 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001322287465 1056609698 /nfs/dbraw/zinc/60/96/98/1056609698.db2.gz ZNBPTOZFSMSIOJ-PKOBYXMFSA-N 1 0 383.471 3.821 20 30 GHEDRO Cc1cc(C#N)cc(NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)n1 ZINC001472746213 1056795986 /nfs/dbraw/zinc/79/59/86/1056795986.db2.gz HPWWJIFQSIWYTA-QZTJIDSGSA-N 1 0 378.520 3.883 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C#N)[C@@H]1c1ccc(F)cc1 ZINC001324157150 1057081008 /nfs/dbraw/zinc/08/10/08/1057081008.db2.gz JQJXUYSIHHABRG-MOPGFXCFSA-N 1 0 388.284 3.995 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc(Cc3cccc(C#N)c3)n2C)CC1 ZINC001355479312 1057177764 /nfs/dbraw/zinc/17/77/64/1057177764.db2.gz CYRRLZQVDYRBAE-UHFFFAOYSA-N 1 0 392.551 3.512 20 30 GHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001355873612 1057300891 /nfs/dbraw/zinc/30/08/91/1057300891.db2.gz SWRGYRUHMJFDMI-UYAOXDASSA-N 1 0 395.551 3.547 20 30 GHEDRO C[C@@H](c1ccccc1)N1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001325872171 1057377344 /nfs/dbraw/zinc/37/73/44/1057377344.db2.gz UBELIXIVMNMOEB-SFHVURJKSA-N 1 0 376.504 3.702 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001356108082 1057391528 /nfs/dbraw/zinc/39/15/28/1057391528.db2.gz SSGOZKGPJRFNPV-HXUWFJFHSA-N 1 0 384.572 3.793 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001356177516 1057418712 /nfs/dbraw/zinc/41/87/12/1057418712.db2.gz OWOBBGCJDGEHSQ-XYTVBORESA-N 1 0 379.499 3.503 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001356316555 1057469387 /nfs/dbraw/zinc/46/93/87/1057469387.db2.gz DTTLVXYDIBNJGV-KRWDZBQOSA-N 1 0 384.553 3.645 20 30 GHEDRO CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC(C)(C#N)CC1 ZINC001356439526 1057513362 /nfs/dbraw/zinc/51/33/62/1057513362.db2.gz RUAQMUTWSLAIET-HXUWFJFHSA-N 1 0 392.551 3.808 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCNC(=O)c2ccccc2)cc1 ZINC000849056209 1057568262 /nfs/dbraw/zinc/56/82/62/1057568262.db2.gz ADXWVMFGGLTAMN-UHFFFAOYSA-N 1 0 386.499 3.983 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC001440090552 1058418896 /nfs/dbraw/zinc/41/88/96/1058418896.db2.gz MMOQXGXUSUORMX-UHFFFAOYSA-N 1 0 377.488 3.949 20 30 GHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)C[N@H+](C)CC(C)(C)C)c2)c1 ZINC001440873170 1058647276 /nfs/dbraw/zinc/64/72/76/1058647276.db2.gz XYYAAWLPPZHVOP-UHFFFAOYSA-N 1 0 392.499 3.789 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(OCC#N)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001338826463 1058816712 /nfs/dbraw/zinc/81/67/12/1058816712.db2.gz XWGHCXXFRJGIEW-GOSISDBHSA-N 1 0 377.488 3.871 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001338946591 1058901435 /nfs/dbraw/zinc/90/14/35/1058901435.db2.gz SNDOUDDJJBHBSE-MOPGFXCFSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1Cc2ccccc2C1 ZINC001339023588 1058928074 /nfs/dbraw/zinc/92/80/74/1058928074.db2.gz MZPNKCLFYHYGPP-YADHBBJMSA-N 1 0 385.515 3.797 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CC[C@H](C2CC2)C1 ZINC001339135557 1058975305 /nfs/dbraw/zinc/97/53/05/1058975305.db2.gz MOTBBZCGLNTHBH-HBMCJLEFSA-N 1 0 377.536 3.513 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC001339253924 1059043869 /nfs/dbraw/zinc/04/38/69/1059043869.db2.gz NJMSRRPHNPEPNW-GIVPXCGWSA-N 1 0 392.551 3.713 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339530888 1059281292 /nfs/dbraw/zinc/28/12/92/1059281292.db2.gz POYKWMGMFCRITK-WOJBJXKFSA-N 1 0 394.567 3.687 20 30 GHEDRO Cc1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)ccc1OCC[NH+]1CCCC1 ZINC001444341876 1059314392 /nfs/dbraw/zinc/31/43/92/1059314392.db2.gz CGPBIBAHOMELKS-UHFFFAOYSA-N 1 0 385.414 3.872 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001339719755 1059414444 /nfs/dbraw/zinc/41/44/44/1059414444.db2.gz NGCPJIADRLWMSC-IVAOSVALSA-N 1 0 377.536 3.513 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(c2nnc(N3CCC[C@](C)(C#N)C3)n2C)C1 ZINC001340009671 1059616038 /nfs/dbraw/zinc/61/60/38/1059616038.db2.gz LKQFQNZBGPCQKX-YHYVQYDKSA-N 1 0 396.514 3.577 20 30 GHEDRO CC[C@@H](Cn1c(C2CCC2)nnc1N(C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001545984662 1059759039 /nfs/dbraw/zinc/75/90/39/1059759039.db2.gz NCKFXCBYOLHQPB-NRFANRHFSA-N 1 0 392.551 3.928 20 30 GHEDRO CCn1c(Cc2ccc(C#N)cc2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001341071461 1060370862 /nfs/dbraw/zinc/37/08/62/1060370862.db2.gz MDUHINUUXMZTJA-UHFFFAOYSA-N 1 0 392.551 3.605 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001341823675 1060910738 /nfs/dbraw/zinc/91/07/38/1060910738.db2.gz IKCYHGZGXSFMBI-FGZHOGPDSA-N 1 0 389.503 3.532 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@@H](C)O)cc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001341885120 1060936839 /nfs/dbraw/zinc/93/68/39/1060936839.db2.gz BNKUXPFJHJFBIA-GOSISDBHSA-N 1 0 397.567 3.885 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342012214 1060995343 /nfs/dbraw/zinc/99/53/43/1060995343.db2.gz AUTRXRUWVBWCJM-SOLBZPMBSA-N 1 0 391.510 3.820 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001342018798 1060999342 /nfs/dbraw/zinc/99/93/42/1060999342.db2.gz BRVYTUHMIWXWGH-DLBZAZTESA-N 1 0 379.499 3.822 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC1CC1 ZINC001346035557 1061309674 /nfs/dbraw/zinc/30/96/74/1061309674.db2.gz YRWGOIBUXVRRFY-FQEVSTJZSA-N 1 0 398.599 3.972 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2Cc2cccs2)CC1 ZINC001346076082 1061341703 /nfs/dbraw/zinc/34/17/03/1061341703.db2.gz VZTFVRQQDNWIST-PKOBYXMFSA-N 1 0 398.580 3.572 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2CC2CC2)CC1 ZINC001346496361 1061612154 /nfs/dbraw/zinc/61/21/54/1061612154.db2.gz LTJOFYZSTFJMRZ-UIFIKXQLSA-N 1 0 396.583 3.796 20 30 GHEDRO CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001492609388 1061809757 /nfs/dbraw/zinc/80/97/57/1061809757.db2.gz SLJFIDGSSLMNEM-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001492615903 1061817919 /nfs/dbraw/zinc/81/79/19/1061817919.db2.gz CLHHGLAQKSGRCX-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO C=C(C)C[C@H](CO)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001455197885 1062044112 /nfs/dbraw/zinc/04/41/12/1062044112.db2.gz DVVOBUCBNVOPKZ-VDKIKQQVSA-N 1 0 392.543 3.520 20 30 GHEDRO N#Cc1ccsc1C(=O)O[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001347296942 1062277801 /nfs/dbraw/zinc/27/78/01/1062277801.db2.gz BELPCXRIIDNIHC-LJQANCHMSA-N 1 0 396.512 3.990 20 30 GHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC001435309774 1062495291 /nfs/dbraw/zinc/49/52/91/1062495291.db2.gz OSDXOVVJLGPLJR-JOCHJYFZSA-N 1 0 376.504 3.533 20 30 GHEDRO N#Cc1cnc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001347722886 1062597675 /nfs/dbraw/zinc/59/76/75/1062597675.db2.gz CKHWRMCKQJFTPY-YQQQUEKLSA-N 1 0 394.906 3.922 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC001458103219 1063568403 /nfs/dbraw/zinc/56/84/03/1063568403.db2.gz QCIMNTZHODTKSK-UHFFFAOYSA-N 1 0 395.503 3.857 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC001458127374 1063586786 /nfs/dbraw/zinc/58/67/86/1063586786.db2.gz MMYMFADYRFZXGO-UHFFFAOYSA-N 1 0 377.448 3.742 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC001436848130 1063673155 /nfs/dbraw/zinc/67/31/55/1063673155.db2.gz TXBDNIZGHRYFEX-HSZRJFAPSA-N 1 0 391.515 3.625 20 30 GHEDRO C[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CCN1c1cc[nH+]cc1 ZINC001458561096 1063892694 /nfs/dbraw/zinc/89/26/94/1063892694.db2.gz OFAOILFTEJYLBV-LBPRGKRZSA-N 1 0 383.377 3.634 20 30 GHEDRO CCCCCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001459345181 1064069255 /nfs/dbraw/zinc/06/92/55/1064069255.db2.gz ABYYOMGIIUPDDJ-UHFFFAOYSA-N 1 0 383.577 3.748 20 30 GHEDRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)CC#N)n2CC2CC2)CC1 ZINC001351280281 1064344982 /nfs/dbraw/zinc/34/49/82/1064344982.db2.gz GNWYQAATAPVOMW-UHFFFAOYSA-N 1 0 392.551 3.510 20 30 GHEDRO C=CCn1c(-c2ccc(C)nc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001351464035 1064459984 /nfs/dbraw/zinc/45/99/84/1064459984.db2.gz QIADCLKGCHGMLB-UHFFFAOYSA-N 1 0 382.556 3.700 20 30 GHEDRO C=CCn1c(-c2ccc3cc[nH]c3c2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001352031446 1064778986 /nfs/dbraw/zinc/77/89/86/1064778986.db2.gz MNOSHJFBPIGMBL-UFYCRDLUSA-N 1 0 390.535 3.779 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC001464154387 1064869327 /nfs/dbraw/zinc/86/93/27/1064869327.db2.gz DXTAGIHUVWOSEB-GOSISDBHSA-N 1 0 390.531 3.786 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001352153155 1064888014 /nfs/dbraw/zinc/88/80/14/1064888014.db2.gz XIEYRCGLQOGYPD-IHBAFOEMSA-N 1 0 397.489 3.658 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c(F)c1 ZINC001352213235 1064931111 /nfs/dbraw/zinc/93/11/11/1064931111.db2.gz QUMFDYSSJQUGDM-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO C[N@H+](CCCNC(=O)c1ccc(Br)cc1C#N)Cc1ccccc1 ZINC001352248273 1064949599 /nfs/dbraw/zinc/94/95/99/1064949599.db2.gz NRASVXZIQXMNPX-UHFFFAOYSA-N 1 0 386.293 3.573 20 30 GHEDRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)ccc1C#N ZINC001464395288 1064986734 /nfs/dbraw/zinc/98/67/34/1064986734.db2.gz BVCKJZBPRAHDJK-OAQYLSRUSA-N 1 0 377.488 3.770 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(C)c(C#N)c(C)c3)CC2)cc1 ZINC001464571670 1065087758 /nfs/dbraw/zinc/08/77/58/1065087758.db2.gz CFTOBPOQAHZILW-UHFFFAOYSA-N 1 0 391.515 3.826 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000847412446 1065246261 /nfs/dbraw/zinc/24/62/61/1065246261.db2.gz QUHOBBKNDFACBF-KRWDZBQOSA-N 1 0 397.479 3.992 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CC[C@@H](CC)C2)C(C)C ZINC001464868071 1065252735 /nfs/dbraw/zinc/25/27/35/1065252735.db2.gz DDFAZNPOXSTKFZ-DYESRHJHSA-N 1 0 385.552 3.731 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000847496291 1065455640 /nfs/dbraw/zinc/45/56/40/1065455640.db2.gz OJQHUZCAMMSIDC-SFTDATJTSA-N 1 0 377.488 3.506 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CC[NH+]1CCC(C)CC1 ZINC001492557708 1065670785 /nfs/dbraw/zinc/67/07/85/1065670785.db2.gz UBBFFZJKRQJWLN-GOSISDBHSA-N 1 0 380.540 3.581 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001300274739 1065905582 /nfs/dbraw/zinc/90/55/82/1065905582.db2.gz MJZAFWOLIGBEGW-IOMROCGXSA-N 1 0 379.552 3.618 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300280277 1065914484 /nfs/dbraw/zinc/91/44/84/1065914484.db2.gz AFBWKUMHBBBWJO-PXNSSMCTSA-N 1 0 391.519 3.861 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001300280419 1065915529 /nfs/dbraw/zinc/91/55/29/1065915529.db2.gz DFISUASXZAQVMG-DNVCBOLYSA-N 1 0 395.482 3.746 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300316716 1065979006 /nfs/dbraw/zinc/97/90/06/1065979006.db2.gz BZOHRAUTMHMKMD-RTWAWAEBSA-N 1 0 393.579 3.643 20 30 GHEDRO COc1cc(OC)cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847746022 1066020494 /nfs/dbraw/zinc/02/04/94/1066020494.db2.gz WAKFRPQMADLTMB-UHFFFAOYSA-N 1 0 394.471 3.667 20 30 GHEDRO Cc1cc(C)n([C@@H](C)CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000847745771 1066020798 /nfs/dbraw/zinc/02/07/98/1066020798.db2.gz OSPFWTJQDGIHDP-FQEVSTJZSA-N 1 0 394.519 3.800 20 30 GHEDRO N#CC1(COC(=O)c2coc(C3CCC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000847747653 1066021268 /nfs/dbraw/zinc/02/12/68/1066021268.db2.gz LYLZUDRNDLFRQE-UHFFFAOYSA-N 1 0 379.460 3.905 20 30 GHEDRO N#CC1(COC(=O)COCCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847749661 1066034486 /nfs/dbraw/zinc/03/44/86/1066034486.db2.gz XYQIIKPODOAYMD-UHFFFAOYSA-N 1 0 392.499 3.595 20 30 GHEDRO C#CCCCCn1c(CC2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300371720 1066127134 /nfs/dbraw/zinc/12/71/34/1066127134.db2.gz VUINIENHLRUHMW-JOCHJYFZSA-N 1 0 391.563 3.745 20 30 GHEDRO C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001300383761 1066148041 /nfs/dbraw/zinc/14/80/41/1066148041.db2.gz HCIJSQCKEDPQBH-JOCHJYFZSA-N 1 0 391.563 3.765 20 30 GHEDRO C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001300384443 1066149022 /nfs/dbraw/zinc/14/90/22/1066149022.db2.gz PPWOIHMJLQFOKT-CTNGQTDRSA-N 1 0 379.552 3.764 20 30 GHEDRO C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001300394763 1066205849 /nfs/dbraw/zinc/20/58/49/1066205849.db2.gz WNYKNWBYNQGMNJ-IBGZPJMESA-N 1 0 395.551 3.535 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001466982848 1066427601 /nfs/dbraw/zinc/42/76/01/1066427601.db2.gz JRAIRLSYAUHOBA-KRWDZBQOSA-N 1 0 393.491 3.907 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC001466983303 1066428327 /nfs/dbraw/zinc/42/83/27/1066428327.db2.gz KOVZLACOBXZVMA-MRXNPFEDSA-N 1 0 379.464 3.660 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(CC#N)n2)C1 ZINC001467204314 1067150393 /nfs/dbraw/zinc/15/03/93/1067150393.db2.gz NRNHVSYJASAYAZ-KRWDZBQOSA-N 1 0 377.492 3.701 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)c2cccs2)CC1 ZINC001467312117 1067218316 /nfs/dbraw/zinc/21/83/16/1067218316.db2.gz AQXNFSXCUUFTNC-UKRRQHHQSA-N 1 0 388.459 3.665 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)c2cccs2)CC1 ZINC001467312115 1067218777 /nfs/dbraw/zinc/21/87/77/1067218777.db2.gz AQXNFSXCUUFTNC-DZGCQCFKSA-N 1 0 388.459 3.665 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](O)c1ccccc1)C(C)C ZINC001467660599 1067404772 /nfs/dbraw/zinc/40/47/72/1067404772.db2.gz UFRQUEKZZASRLS-VSKRKVRLSA-N 1 0 385.552 3.593 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001358876404 1067590708 /nfs/dbraw/zinc/59/07/08/1067590708.db2.gz ITUZHCHGWMXBOM-GOSISDBHSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001358877339 1067591472 /nfs/dbraw/zinc/59/14/72/1067591472.db2.gz BUTFWROLRRCFMB-UWJYYQICSA-N 1 0 392.551 3.641 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001358879833 1067592414 /nfs/dbraw/zinc/59/24/14/1067592414.db2.gz ZHAFYRHJLNYORV-PNLZDCPESA-N 1 0 383.540 3.815 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@@H+](C)CCCC ZINC001358881782 1067593722 /nfs/dbraw/zinc/59/37/22/1067593722.db2.gz NFXQZHRGNFWTCH-GOSISDBHSA-N 1 0 390.535 3.683 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CC1CC[NH+](C2CC2)CC1 ZINC001358883310 1067594815 /nfs/dbraw/zinc/59/48/15/1067594815.db2.gz SECQUYLXAFIZNT-GOSISDBHSA-N 1 0 377.536 3.586 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358884319 1067595767 /nfs/dbraw/zinc/59/57/67/1067595767.db2.gz NKHBYOJXMHEAPR-WMZOPIPTSA-N 1 0 394.548 3.630 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001358891515 1067598980 /nfs/dbraw/zinc/59/89/80/1067598980.db2.gz IGCWGHFBWMZBTP-LJQANCHMSA-N 1 0 393.579 3.969 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[N@@H+](CC)CCC ZINC001358894199 1067600912 /nfs/dbraw/zinc/60/09/12/1067600912.db2.gz KCRXSXCSLLEQEM-SFHVURJKSA-N 1 0 392.551 3.540 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001358894523 1067600993 /nfs/dbraw/zinc/60/09/93/1067600993.db2.gz QLARMWVWDBIFJW-LJQANCHMSA-N 1 0 391.563 3.601 20 30 GHEDRO C#CCCCn1c(Cc2ccccc2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001358931281 1067618161 /nfs/dbraw/zinc/61/81/61/1067618161.db2.gz VOSLLMZWFXGGKO-OAQYLSRUSA-N 1 0 393.579 3.759 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001358939077 1067621300 /nfs/dbraw/zinc/62/13/00/1067621300.db2.gz POAQKKSRDMTGFK-KRWDZBQOSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358940891 1067622506 /nfs/dbraw/zinc/62/25/06/1067622506.db2.gz QTPGINMMLMQEFG-IAGOWNOFSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[NH+]1CCCCC1 ZINC001358942395 1067623427 /nfs/dbraw/zinc/62/34/27/1067623427.db2.gz TVRHFTXWXJKJNO-QGZVFWFLSA-N 1 0 397.592 3.687 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001358942786 1067624098 /nfs/dbraw/zinc/62/40/98/1067624098.db2.gz KCBWGNRXOPMBHR-KRWDZBQOSA-N 1 0 381.480 3.592 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358985411 1067635841 /nfs/dbraw/zinc/63/58/41/1067635841.db2.gz YAVKLZLFLYNCIT-NHCUHLMSSA-N 1 0 383.584 3.909 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](C)CC)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001358999849 1067642302 /nfs/dbraw/zinc/64/23/02/1067642302.db2.gz FLIJFDHDIQDAOR-IFMALSPDSA-N 1 0 393.579 3.816 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001359008398 1067650633 /nfs/dbraw/zinc/65/06/33/1067650633.db2.gz OCPSVZYGPVBHDY-JOCHJYFZSA-N 1 0 391.563 3.916 20 30 GHEDRO C=C(Br)Cn1c(CC(C)C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001359084721 1067677848 /nfs/dbraw/zinc/67/78/48/1067677848.db2.gz PZWQGCMIPJHUDE-INIZCTEOSA-N 1 0 398.393 3.553 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001359108703 1067687586 /nfs/dbraw/zinc/68/75/86/1067687586.db2.gz ZHANFUOZVRSFSV-SFHVURJKSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359112281 1067691398 /nfs/dbraw/zinc/69/13/98/1067691398.db2.gz FMUXYSHIHBGZJM-OAQYLSRUSA-N 1 0 397.567 3.707 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359115218 1067694199 /nfs/dbraw/zinc/69/41/99/1067694199.db2.gz PAOQAROKGJQSHL-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359116572 1067695075 /nfs/dbraw/zinc/69/50/75/1067695075.db2.gz QHGIXJQKCMSQIC-RBUKOAKNSA-N 1 0 375.561 3.652 20 30 GHEDRO C=C1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001359160942 1067717035 /nfs/dbraw/zinc/71/70/35/1067717035.db2.gz KCBMSWPWVQIUCE-GOSISDBHSA-N 1 0 390.535 3.908 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001359234683 1067837605 /nfs/dbraw/zinc/83/76/05/1067837605.db2.gz XACTVCCYOZXZCM-GOSISDBHSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359236551 1067842315 /nfs/dbraw/zinc/84/23/15/1067842315.db2.gz QJYHBGDOIDEFEM-GOSISDBHSA-N 1 0 383.540 3.696 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849516506 1067887468 /nfs/dbraw/zinc/88/74/68/1067887468.db2.gz KINBOFVJNSPIOR-FGZHOGPDSA-N 1 0 396.535 3.828 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCCC[C@@H]1CC)C1CC1 ZINC001359250097 1067900232 /nfs/dbraw/zinc/90/02/32/1067900232.db2.gz BFWLJSASOTXRPG-AZUAARDMSA-N 1 0 387.572 3.939 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001359250800 1067900735 /nfs/dbraw/zinc/90/07/35/1067900735.db2.gz UQSMFSHMSAUWRB-FPOVZHCZSA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1CC[N@H+]1CC=CCC1 ZINC001359259367 1067921658 /nfs/dbraw/zinc/92/16/58/1067921658.db2.gz ULPAOUNZOROZLD-UHFFFAOYSA-N 1 0 377.536 3.685 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359276174 1067945444 /nfs/dbraw/zinc/94/54/44/1067945444.db2.gz UXLXEZVQNCGADY-HXUWFJFHSA-N 1 0 385.556 3.783 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359706087 1068147273 /nfs/dbraw/zinc/14/72/73/1068147273.db2.gz SBPQLWLUNNGSFX-KNQAVFIVSA-N 1 0 380.540 3.834 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001469498551 1068192752 /nfs/dbraw/zinc/19/27/52/1068192752.db2.gz BFKAKRXYYREHSC-DHIUTWEWSA-N 1 0 375.516 3.712 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359801692 1068195063 /nfs/dbraw/zinc/19/50/63/1068195063.db2.gz ZLVBWWPSWLBBHT-MOPGFXCFSA-N 1 0 386.588 3.727 20 30 GHEDRO C=C(C)CN(CC)C(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC001469600352 1068249252 /nfs/dbraw/zinc/24/92/52/1068249252.db2.gz HBCVFNDQIWUQCW-WOJBJXKFSA-N 1 0 387.568 3.803 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C ZINC001360129125 1068377032 /nfs/dbraw/zinc/37/70/32/1068377032.db2.gz NRTUECIFFOMRBE-JOCHJYFZSA-N 1 0 395.555 3.589 20 30 GHEDRO C=C[C@@H](COC)NC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001469894334 1068454388 /nfs/dbraw/zinc/45/43/88/1068454388.db2.gz HFBFHJOKYRSYES-VXKWHMMOSA-N 1 0 387.568 3.562 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C2CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001360474497 1068521956 /nfs/dbraw/zinc/52/19/56/1068521956.db2.gz PGSAXPWQFDVJFX-KRWDZBQOSA-N 1 0 392.551 3.731 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)c2ccccc2)cc1 ZINC001460405599 1068954076 /nfs/dbraw/zinc/95/40/76/1068954076.db2.gz RHQVPLHHFFCSRL-ZJSXRUAMSA-N 1 0 388.467 3.686 20 30 GHEDRO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001460597765 1069016715 /nfs/dbraw/zinc/01/67/15/1069016715.db2.gz JDDUQANGBIDWQH-NRFANRHFSA-N 1 0 390.458 3.693 20 30 GHEDRO CCc1ccc([C@H](C#N)N(C)C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001460600801 1069017730 /nfs/dbraw/zinc/01/77/30/1069017730.db2.gz SMZDYUWEKIZXSZ-VOCPSOEZSA-N 1 0 391.515 3.926 20 30 GHEDRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC001460604168 1069020653 /nfs/dbraw/zinc/02/06/53/1069020653.db2.gz KUJCODJTAPYCKE-UHFFFAOYSA-N 1 0 379.545 3.544 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC001460614965 1069031857 /nfs/dbraw/zinc/03/18/57/1069031857.db2.gz FBXJHEFVFPHQGF-NJYVYQBISA-N 1 0 395.890 3.827 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3ccc(CC#N)cc3)C2)O1 ZINC001460687999 1069086916 /nfs/dbraw/zinc/08/69/16/1069086916.db2.gz DQCGOODJQFJIPY-HYBUGGRVSA-N 1 0 375.516 3.618 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001460761179 1069161925 /nfs/dbraw/zinc/16/19/25/1069161925.db2.gz LTZKEHDHNFVMFF-HFJQGTKSSA-N 1 0 377.463 3.734 20 30 GHEDRO C=CC[C@H](C)[NH+]1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460869651 1069238888 /nfs/dbraw/zinc/23/88/88/1069238888.db2.gz HNYKKGSAQUFHFA-KRWDZBQOSA-N 1 0 397.560 3.741 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460958716 1069298083 /nfs/dbraw/zinc/29/80/83/1069298083.db2.gz IUVWKFSQYYEOLB-UHFFFAOYSA-N 1 0 388.468 3.545 20 30 GHEDRO C[C@@H]1CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC001478549052 1078913917 /nfs/dbraw/zinc/91/39/17/1078913917.db2.gz LOVADYQBNOSALG-KNKQGSTJSA-N 1 0 382.552 3.848 20 30 GHEDRO CC(C)[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC001470948817 1072840392 /nfs/dbraw/zinc/84/03/92/1072840392.db2.gz KJOWLWSCYBIPKV-FCHUYYIVSA-N 1 0 382.552 3.978 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)NC(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001478765983 1078980082 /nfs/dbraw/zinc/98/00/82/1078980082.db2.gz KCPWYAXZXGEOQU-XMSQKQJNSA-N 1 0 390.531 3.842 20 30 GHEDRO C=C(CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1ccccc1 ZINC001478770627 1078982231 /nfs/dbraw/zinc/98/22/31/1078982231.db2.gz FCDNSEBLPVDREH-DHIUTWEWSA-N 1 0 393.531 3.536 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC(C)(C)c3cccc(C#N)c3)C2)cc1 ZINC001471141232 1072938808 /nfs/dbraw/zinc/93/88/08/1072938808.db2.gz LEGFXUKVQOWKDL-OAQYLSRUSA-N 1 0 376.504 3.676 20 30 GHEDRO C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001478893377 1079017481 /nfs/dbraw/zinc/01/74/81/1079017481.db2.gz GVHXCGGNGQRXBU-FQEVSTJZSA-N 1 0 389.421 3.552 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](CC[NH+](C)C)C2)s1 ZINC001471790815 1073219614 /nfs/dbraw/zinc/21/96/14/1073219614.db2.gz BKYBPTIBVPAODL-AWEZNQCLSA-N 1 0 388.002 3.639 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC001479105340 1079105608 /nfs/dbraw/zinc/10/56/08/1079105608.db2.gz VKZKDPINCFUJPT-NPPFBWRTSA-N 1 0 376.504 3.687 20 30 GHEDRO CC[NH+]1CCN(Cc2ccccc2CNc2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC001472656729 1073599258 /nfs/dbraw/zinc/59/92/58/1073599258.db2.gz XZYDFONJWSZHNW-UHFFFAOYSA-N 1 0 393.491 3.525 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2cc(C(F)(F)F)c(F)cc2C#N)CC1 ZINC001472681884 1073614930 /nfs/dbraw/zinc/61/49/30/1073614930.db2.gz AXYLESSUXLAFHC-GASCZTMLSA-N 1 0 398.448 3.711 20 30 GHEDRO C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001473476324 1073982172 /nfs/dbraw/zinc/98/21/72/1073982172.db2.gz FRQHHCBIAWTGFB-KRWDZBQOSA-N 1 0 396.922 3.604 20 30 GHEDRO Cc1ccc2c(C[N@H+](C)CCOCc3ccc(C#N)cc3)cc(=O)oc2c1C ZINC001473517837 1073998511 /nfs/dbraw/zinc/99/85/11/1073998511.db2.gz ZAGAOGKFZRSQLO-UHFFFAOYSA-N 1 0 376.456 3.930 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001473558476 1074015500 /nfs/dbraw/zinc/01/55/00/1074015500.db2.gz JFDISSFDKWWJQP-LJQANCHMSA-N 1 0 384.520 3.830 20 30 GHEDRO C#CCN(CCC[NH+]1CCC(Cc2ccccc2)CC1)CC(=O)OC(C)(C)C ZINC001473620418 1074051914 /nfs/dbraw/zinc/05/19/14/1074051914.db2.gz IAZXNAJXLHBMKC-UHFFFAOYSA-N 1 0 384.564 3.608 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CC[NH+](CC[C@@H]4CCCC4(F)F)CC3)n[nH]2)cc1 ZINC001473623630 1074054199 /nfs/dbraw/zinc/05/41/99/1074054199.db2.gz UJZWAUMNZQUAAY-SFHVURJKSA-N 1 0 385.462 3.896 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCc3cccc4c3OC(F)(F)O4)CCOCC2)c1 ZINC001473653747 1074069226 /nfs/dbraw/zinc/06/92/26/1074069226.db2.gz SUMDXYKSZGPLCI-UHFFFAOYSA-N 1 0 386.398 3.718 20 30 GHEDRO COc1cc(C#N)ccc1CN1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718551 1074105309 /nfs/dbraw/zinc/10/53/09/1074105309.db2.gz MNIUSZVCDNGESI-DNQXCXABSA-N 1 0 375.516 3.911 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+]C2(C3CC3)CCC2)c1C#N ZINC001473784593 1074141790 /nfs/dbraw/zinc/14/17/90/1074141790.db2.gz CCKNDBVEQHOAEA-UHFFFAOYSA-N 1 0 380.467 3.966 20 30 GHEDRO N#Cc1cc(F)ccc1CN1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001473851651 1074175327 /nfs/dbraw/zinc/17/53/27/1074175327.db2.gz KTGJTRHKUFGJOU-LJQANCHMSA-N 1 0 389.268 3.943 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001473886316 1074191254 /nfs/dbraw/zinc/19/12/54/1074191254.db2.gz XGZBGPIVTCLKMP-UHFFFAOYSA-N 1 0 399.535 3.718 20 30 GHEDRO CN(C)[C@@H](CC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F ZINC001474263353 1074315958 /nfs/dbraw/zinc/31/59/58/1074315958.db2.gz NZBMQNMUILHZBQ-ZDUSSCGKSA-N 1 0 376.316 3.739 20 30 GHEDRO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)s2)[NH+](CC)CC)cc1 ZINC001475345390 1074841608 /nfs/dbraw/zinc/84/16/08/1074841608.db2.gz FHPAQGYCWGRHGI-SFHVURJKSA-N 1 0 391.562 3.544 20 30 GHEDRO C#CCN1CCC[C@@H](NC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC001475849218 1075033872 /nfs/dbraw/zinc/03/38/72/1075033872.db2.gz CLUPWHMBRPRKEH-CYBMUJFWSA-N 1 0 389.805 3.500 20 30 GHEDRO C#CC[C@H]1CCN(C(=O)Nc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)C1 ZINC001476038060 1075072745 /nfs/dbraw/zinc/07/27/45/1075072745.db2.gz XNLHTZUXWLYYPK-KRWDZBQOSA-N 1 0 388.943 3.749 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@H]2C1 ZINC001476142152 1075093688 /nfs/dbraw/zinc/09/36/88/1075093688.db2.gz VICNDHYEDHDUBV-ORYQWCPZSA-N 1 0 376.460 3.812 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCCC[NH+]3CCCCC3)c2)nc1 ZINC001476200364 1075102566 /nfs/dbraw/zinc/10/25/66/1075102566.db2.gz KEIPAUDPVSNTQF-UHFFFAOYSA-N 1 0 379.464 3.743 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001495098964 1079382508 /nfs/dbraw/zinc/38/25/08/1079382508.db2.gz BLBPVZUCJZEJIJ-XLIONFOSSA-N 1 0 380.540 3.784 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1[C@H]1C[C@H]1C ZINC001495653888 1079426004 /nfs/dbraw/zinc/42/60/04/1079426004.db2.gz OESPEAVQMDCFRJ-UEXGIBASSA-N 1 0 392.551 3.956 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1[C@@H]1C[C@@H]1C ZINC001495653886 1079426076 /nfs/dbraw/zinc/42/60/76/1079426076.db2.gz OESPEAVQMDCFRJ-BBTUJRGHSA-N 1 0 392.551 3.956 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001496006256 1079446646 /nfs/dbraw/zinc/44/66/46/1079446646.db2.gz YCTJSBUEDSCQTQ-DLBZAZTESA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(Br)cc1C#N ZINC001648466416 1126250454 /nfs/dbraw/zinc/25/04/54/1126250454.db2.gz HJIIJLXUFNJBLK-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001656465873 1126258014 /nfs/dbraw/zinc/25/80/14/1126258014.db2.gz HQBMQVVFNSKIEA-PMACEKPBSA-N 1 0 392.421 3.993 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828295536 601300611 /nfs/dbraw/zinc/30/06/11/601300611.db2.gz JINBLIUNDIRGJJ-JOCHJYFZSA-N 1 0 377.488 3.706 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825038421 609151734 /nfs/dbraw/zinc/15/17/34/609151734.db2.gz BEDWXIVBKOOEQG-XJKSGUPXSA-N 1 0 380.427 3.538 20 30 GHEDRO CC1(C#N)CC[NH+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000824779322 609173455 /nfs/dbraw/zinc/17/34/55/609173455.db2.gz UMDOIHNOJFGFLI-UHFFFAOYSA-N 1 0 388.475 3.571 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621696 719044426 /nfs/dbraw/zinc/04/44/26/719044426.db2.gz JOHSOZMGJZGMHQ-HKUYNNGSSA-N 1 0 388.849 3.735 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(c1ncccc1C[NH+]1CCCC1)[C@H]2CC ZINC001164704581 719824162 /nfs/dbraw/zinc/82/41/62/719824162.db2.gz ZPHMHGDUTGSWFB-REWPJTCUSA-N 1 0 382.552 3.603 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(c1ncccc1C[NH+]1CCCC1)[C@H]2CC ZINC001164704578 719824197 /nfs/dbraw/zinc/82/41/97/719824197.db2.gz ZPHMHGDUTGSWFB-NZQKXSOJSA-N 1 0 382.552 3.603 20 30 GHEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164733648 720545830 /nfs/dbraw/zinc/54/58/30/720545830.db2.gz DNDLGBRXSGQOHK-CQSZACIVSA-N 1 0 398.885 3.668 20 30 GHEDRO Cc1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1C#N ZINC001164842726 720687198 /nfs/dbraw/zinc/68/71/98/720687198.db2.gz MZFVDGARPFNLAZ-HXUWFJFHSA-N 1 0 376.504 3.522 20 30 GHEDRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(C#N)c(C)c1Cl ZINC001164857608 720928102 /nfs/dbraw/zinc/92/81/02/720928102.db2.gz LWJVCTWZKUPELN-OAHLLOKOSA-N 1 0 386.931 3.841 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(Cl)cc1C#N)[C@H]2C ZINC001164860471 720962601 /nfs/dbraw/zinc/96/26/01/720962601.db2.gz PZIKRQGRHRTFSJ-LBPRGKRZSA-N 1 0 393.322 3.878 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Cl)c3C#N)C[C@H]21 ZINC001165028441 721806129 /nfs/dbraw/zinc/80/61/29/721806129.db2.gz ZBQJAYHKGYVGDA-QKYXUNIQSA-N 1 0 381.911 3.739 20 30 GHEDRO Cc1cc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C ZINC001165028350 721808687 /nfs/dbraw/zinc/80/86/87/721808687.db2.gz XPJLNWZDUCANRZ-YUXAGFNASA-N 1 0 375.520 3.702 20 30 GHEDRO Cc1cc(C#N)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C ZINC001165028344 721808734 /nfs/dbraw/zinc/80/87/34/721808734.db2.gz XPJLNWZDUCANRZ-BWAGFHJFSA-N 1 0 375.520 3.702 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(cc3C#N)CCC4)C[C@H]21 ZINC001165022240 721823768 /nfs/dbraw/zinc/82/37/68/721823768.db2.gz GTSYYEYZFJPNBY-QTGUNEKASA-N 1 0 387.531 3.574 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(Cl)c(C#N)n4)CC3)C2)cc1 ZINC001164937285 721922332 /nfs/dbraw/zinc/92/23/32/721922332.db2.gz ATRMDUQZPUTHQK-UHFFFAOYSA-N 1 0 396.922 3.787 20 30 GHEDRO N#Cc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165050198 721978643 /nfs/dbraw/zinc/97/86/43/721978643.db2.gz QUTYRBKEVHPDBJ-KRWDZBQOSA-N 1 0 379.464 3.859 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc2c(c1)OCCO2 ZINC000180644532 837420767 /nfs/dbraw/zinc/42/07/67/837420767.db2.gz ZVWWUBKRVICJOW-DYVFJYSZSA-N 1 0 383.448 3.607 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC000176743547 837521650 /nfs/dbraw/zinc/52/16/50/837521650.db2.gz UTCHETGSAHLEKX-HSZRJFAPSA-N 1 0 391.515 3.938 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000180955542 837739649 /nfs/dbraw/zinc/73/96/49/837739649.db2.gz WVVFFHUGYIJYRR-GFCCVEGCSA-N 1 0 395.381 3.999 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000176864318 837764278 /nfs/dbraw/zinc/76/42/78/837764278.db2.gz NBBQLXLKFPCMIB-IBGZPJMESA-N 1 0 397.544 3.796 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ncc(C(F)(F)F)s3)CC2)nc1 ZINC000278757161 834522562 /nfs/dbraw/zinc/52/25/62/834522562.db2.gz WWQSXTNRUQJYBH-UHFFFAOYSA-N 1 0 382.411 3.908 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000176884738 837780469 /nfs/dbraw/zinc/78/04/69/837780469.db2.gz QXLGDVOKFKUASG-ZDUSSCGKSA-N 1 0 398.406 3.581 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136506372 834536636 /nfs/dbraw/zinc/53/66/36/834536636.db2.gz JTEOPPLNSBXXCU-SFHVURJKSA-O 1 0 397.564 3.971 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136506554 834536919 /nfs/dbraw/zinc/53/69/19/834536919.db2.gz IMDKSSWHMBRHTM-HNNXBMFYSA-O 1 0 389.928 3.501 20 30 GHEDRO COCCOC[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093755529 834703006 /nfs/dbraw/zinc/70/30/06/834703006.db2.gz QLPKRNWNDILFIH-HXUWFJFHSA-N 1 0 380.488 3.622 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3ccc(C#N)c([N+](=O)[O-])c3)CC2)c1 ZINC000583597129 834717545 /nfs/dbraw/zinc/71/75/45/834717545.db2.gz UJUIDFYMRSBDKK-UHFFFAOYSA-N 1 0 393.491 3.789 20 30 GHEDRO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000329283299 834739994 /nfs/dbraw/zinc/73/99/94/834739994.db2.gz LBYRFTWCWUDDKV-GOSISDBHSA-N 1 0 397.563 3.961 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000186891370 834740289 /nfs/dbraw/zinc/74/02/89/834740289.db2.gz BHNTYDGKVRGNDO-DEOSSOPVSA-N 1 0 391.515 3.588 20 30 GHEDRO CC[NH+]=C(NCc1cc(Br)cs1)NCc1nc(C)c(C)s1 ZINC000262346492 834747280 /nfs/dbraw/zinc/74/72/80/834747280.db2.gz DLECALXTNUJAOL-UHFFFAOYSA-N 1 0 387.372 3.839 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)C2)nc1 ZINC000430174130 834752871 /nfs/dbraw/zinc/75/28/71/834752871.db2.gz VDNVTXADDIGSJS-OAQYLSRUSA-N 1 0 386.455 3.581 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458619259 834780317 /nfs/dbraw/zinc/78/03/17/834780317.db2.gz NSJAJAVEHCGEFF-WMLDXEAASA-N 1 0 380.895 3.711 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1c1nccn1CC)C(C)C ZINC000430177081 834784087 /nfs/dbraw/zinc/78/40/87/834784087.db2.gz HBWBFBXGRANVHD-PMACEKPBSA-N 1 0 387.572 3.838 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccsc1 ZINC000052517598 834872917 /nfs/dbraw/zinc/87/29/17/834872917.db2.gz PSYHDXFOBIYNRW-SFHVURJKSA-N 1 0 395.484 3.824 20 30 GHEDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(=O)n3c4ccccc4[nH]c3c1C#N)C2 ZINC000728574836 834975878 /nfs/dbraw/zinc/97/58/78/834975878.db2.gz IITNFEAHYCHVMU-HXUWFJFHSA-N 1 0 398.466 3.681 20 30 GHEDRO CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000176976688 837829492 /nfs/dbraw/zinc/82/94/92/837829492.db2.gz VUDPDQWAJZYXDM-NRFANRHFSA-N 1 0 375.497 3.984 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000263301513 835024458 /nfs/dbraw/zinc/02/44/58/835024458.db2.gz ZNFDZIADPVPGFQ-UHFFFAOYSA-N 1 0 379.913 3.794 20 30 GHEDRO CCCCN1CCCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433322428 844013909 /nfs/dbraw/zinc/01/39/09/844013909.db2.gz QPMBHUZPDOFRAJ-NRFANRHFSA-N 1 0 380.540 3.603 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510088362 835084365 /nfs/dbraw/zinc/08/43/65/835084365.db2.gz PZDQRULKHABGHH-CNNODRBYSA-N 1 0 391.515 3.742 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000120312686 835112032 /nfs/dbraw/zinc/11/20/32/835112032.db2.gz GYQUNKYUDAHSPZ-DLBZAZTESA-N 1 0 387.524 3.866 20 30 GHEDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330462 844021401 /nfs/dbraw/zinc/02/14/01/844021401.db2.gz JNLBHGXAWFVSIY-NQIIRXRSSA-N 1 0 381.524 3.790 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000043110140 835169963 /nfs/dbraw/zinc/16/99/63/835169963.db2.gz JTFZDGQPUZAHRR-JOCHJYFZSA-N 1 0 392.503 3.545 20 30 GHEDRO C[C@@H](Sc1ccc(C#N)cc1F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610219118 835204460 /nfs/dbraw/zinc/20/44/60/835204460.db2.gz YWWVSOMYPRZZST-CRAIPNDOSA-N 1 0 383.492 3.569 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(F)cc3C#N)cc2)C[C@H](C)O1 ZINC000097472959 835247089 /nfs/dbraw/zinc/24/70/89/835247089.db2.gz DZWAXILERDVXLR-IYBDPMFKSA-N 1 0 396.466 3.628 20 30 GHEDRO C=CCN1C(=O)N([C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431621143 835312485 /nfs/dbraw/zinc/31/24/85/835312485.db2.gz BWUIHNXYTZYPSO-UZKOGDIHSA-N 1 0 395.547 3.701 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000612101922 835476857 /nfs/dbraw/zinc/47/68/57/835476857.db2.gz YLIDZYJSYUFOPB-YYDVJCTNSA-N 1 0 382.552 4.000 20 30 GHEDRO C[N@H+](CCNC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)C1CCCC1 ZINC000329640990 835505949 /nfs/dbraw/zinc/50/59/49/835505949.db2.gz XMEQFVDYUBAMMS-OAHLLOKOSA-N 1 0 387.553 3.739 20 30 GHEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000612137637 835650884 /nfs/dbraw/zinc/65/08/84/835650884.db2.gz KUXWLXQMSDMMQM-NYDSKATKSA-N 1 0 380.488 3.584 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000612177493 835795204 /nfs/dbraw/zinc/79/52/04/835795204.db2.gz IMQCVSDTBRLVDA-ADYITMSISA-N 1 0 380.536 3.622 20 30 GHEDRO N#CCCn1cc(CN2CCC[N@@H+](C3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000179769147 835804165 /nfs/dbraw/zinc/80/41/65/835804165.db2.gz ASCPIFPTTVVRFO-UHFFFAOYSA-N 1 0 377.536 3.914 20 30 GHEDRO CC[NH+](CC)CC1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000728927934 844098057 /nfs/dbraw/zinc/09/80/57/844098057.db2.gz IFRGJPVKNZEERU-QGZVFWFLSA-N 1 0 384.549 3.526 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549688327 844118978 /nfs/dbraw/zinc/11/89/78/844118978.db2.gz NERLFCIUJUYDGT-LJQANCHMSA-N 1 0 397.542 3.896 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)cc1 ZINC000236577112 836204728 /nfs/dbraw/zinc/20/47/28/836204728.db2.gz PPCMWPWFHNCRMP-UHFFFAOYSA-N 1 0 397.276 3.879 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1OCC ZINC000116342873 836229993 /nfs/dbraw/zinc/22/99/93/836229993.db2.gz LKDCKCHKJHJIGG-HZPDHXFCSA-N 1 0 384.314 3.806 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643818 836233172 /nfs/dbraw/zinc/23/31/72/836233172.db2.gz XLGVZFOBQGZJIK-ROUUACIJSA-N 1 0 388.581 3.826 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000092644502 844142904 /nfs/dbraw/zinc/14/29/04/844142904.db2.gz VFIXGJVAHVDDBM-UHFFFAOYSA-N 1 0 384.545 3.884 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc2ccccc2c1 ZINC000065931341 836253183 /nfs/dbraw/zinc/25/31/83/836253183.db2.gz YYJWPSFNMQLGQX-UHFFFAOYSA-N 1 0 387.483 3.681 20 30 GHEDRO Cc1cccc(OCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C ZINC000065930738 836255057 /nfs/dbraw/zinc/25/50/57/836255057.db2.gz OPSCEKAVKPJCDL-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000065931354 836256945 /nfs/dbraw/zinc/25/69/45/836256945.db2.gz MAKHVXPITFFICY-UHFFFAOYSA-N 1 0 388.515 3.953 20 30 GHEDRO COc1cccc(C=C2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000610764370 844146565 /nfs/dbraw/zinc/14/65/65/844146565.db2.gz GARRSFOXQXVUHX-QFIPXVFZSA-N 1 0 392.499 3.680 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000548935824 836309404 /nfs/dbraw/zinc/30/94/04/836309404.db2.gz ZCORZHSPERUGTM-WKCHPHFGSA-N 1 0 380.513 3.743 20 30 GHEDRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000065950332 836319006 /nfs/dbraw/zinc/31/90/06/836319006.db2.gz XUOWRXDANRPBKS-GOSISDBHSA-N 1 0 399.498 3.983 20 30 GHEDRO CCn1c(C)cc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000728225249 836335721 /nfs/dbraw/zinc/33/57/21/836335721.db2.gz ONLULKSIPWKYCH-UHFFFAOYSA-N 1 0 397.592 3.587 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)ccc1OC ZINC000177331961 836346118 /nfs/dbraw/zinc/34/61/18/836346118.db2.gz RSBDTTXFOGPLMR-LPHOPBHVSA-N 1 0 381.476 3.883 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000413827753 836450875 /nfs/dbraw/zinc/45/08/75/836450875.db2.gz SUCOVNNYOXTVGR-MZKRTTBSSA-N 1 0 399.579 3.705 20 30 GHEDRO CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001167129980 836500733 /nfs/dbraw/zinc/50/07/33/836500733.db2.gz CHWGEZMFSZQAMK-KRWDZBQOSA-N 1 0 378.476 3.906 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)NCC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000175501491 836575057 /nfs/dbraw/zinc/57/50/57/836575057.db2.gz VBDKNBNJTAMJTO-GOSISDBHSA-N 1 0 395.503 3.918 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3cccc(OC)c3)CC2)cc1 ZINC000510171303 836612580 /nfs/dbraw/zinc/61/25/80/836612580.db2.gz WBCSCCZQLBFUTH-UHFFFAOYSA-N 1 0 393.487 3.619 20 30 GHEDRO Cc1ccc(Cl)c(-c2noc([C@@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)c1 ZINC001211640303 836755247 /nfs/dbraw/zinc/75/52/47/836755247.db2.gz GVNLPTZSMYBYBK-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180223223 836775886 /nfs/dbraw/zinc/77/58/86/836775886.db2.gz VDAORNDRNWHDDK-OAQYLSRUSA-N 1 0 389.478 3.856 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000247122846 836888517 /nfs/dbraw/zinc/88/85/17/836888517.db2.gz UVYNSXMLSUBIKE-XZOQPEGZSA-N 1 0 388.515 3.754 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000118821991 837008622 /nfs/dbraw/zinc/00/86/22/837008622.db2.gz OXNUVGMONZRGOL-DLBZAZTESA-N 1 0 390.553 3.655 20 30 GHEDRO Cc1c(Cl)cccc1-c1noc([C@@H](c2cccc(C#N)c2)N2CC[NH2+]CC2)n1 ZINC001211641165 837128543 /nfs/dbraw/zinc/12/85/43/837128543.db2.gz ZJRUUQFUSRDZQH-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CSc1ccc(C#N)cc1 ZINC000180420820 837241257 /nfs/dbraw/zinc/24/12/57/837241257.db2.gz ZTQYFZQBKPXMCC-UHFFFAOYSA-N 1 0 394.544 3.810 20 30 GHEDRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1(F)F ZINC000894164939 844260532 /nfs/dbraw/zinc/26/05/32/844260532.db2.gz LKRDJPMRAKZFBH-KBDSZGMXSA-N 1 0 383.279 3.540 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CC)CC(=O)Nc2c(C)cccc2C)cc1 ZINC001167699970 837342587 /nfs/dbraw/zinc/34/25/87/837342587.db2.gz LIWVIMQRQMQFNW-UHFFFAOYSA-N 1 0 377.488 3.574 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(C#N)cc1 ZINC000579928715 837384957 /nfs/dbraw/zinc/38/49/57/837384957.db2.gz BFLOJDJYNDYNQQ-SCLBCKFNSA-N 1 0 384.277 3.777 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000177478188 837962404 /nfs/dbraw/zinc/96/24/04/837962404.db2.gz SQCHSODYHZSNOI-LEWJYISDSA-N 1 0 377.488 3.740 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000177538530 837974216 /nfs/dbraw/zinc/97/42/16/837974216.db2.gz ATRKBWGSAJOAFY-LEWJYISDSA-N 1 0 377.488 3.740 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610298239 838212442 /nfs/dbraw/zinc/21/24/42/838212442.db2.gz UCRQVGGNKTYKAE-GGAORHGYSA-N 1 0 391.515 3.695 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnc(-c4ccncc4)s3)CC2)nc1 ZINC000560446467 838342664 /nfs/dbraw/zinc/34/26/64/838342664.db2.gz IMJOPEWHEMRELN-UHFFFAOYSA-N 1 0 391.500 3.952 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000178504507 838392279 /nfs/dbraw/zinc/39/22/79/838392279.db2.gz NWEUQIXHVNPJCA-UHFFFAOYSA-N 1 0 393.413 3.663 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000187923939 838404171 /nfs/dbraw/zinc/40/41/71/838404171.db2.gz ARJKSPDNFYLBII-UHFFFAOYSA-N 1 0 379.479 3.610 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000610321180 838418865 /nfs/dbraw/zinc/41/88/65/838418865.db2.gz KGVUKXWVAVHVCB-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C=CC(C)(C)CCCNC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000892695042 838501302 /nfs/dbraw/zinc/50/13/02/838501302.db2.gz NZWLZFYTTFVJQM-UHFFFAOYSA-N 1 0 387.572 3.758 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000610346520 838583125 /nfs/dbraw/zinc/58/31/25/838583125.db2.gz VYBSCAFONDIEJN-HZPDHXFCSA-N 1 0 385.895 3.788 20 30 GHEDRO CCCC[NH+](CCCC)CCNc1nc(Cl)cc(CC(=O)OC)c1C#N ZINC001167731881 838646168 /nfs/dbraw/zinc/64/61/68/838646168.db2.gz AZSGNKFJNQIRSH-UHFFFAOYSA-N 1 0 380.920 3.636 20 30 GHEDRO CC(C)[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@H]1CCC(=O)N1 ZINC000414587437 838650021 /nfs/dbraw/zinc/65/00/21/838650021.db2.gz VBEPDABYZOTQJL-OAQYLSRUSA-N 1 0 377.488 3.626 20 30 GHEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610371904 838744116 /nfs/dbraw/zinc/74/41/16/838744116.db2.gz RZDIYOSAKRRTTG-GGAORHGYSA-N 1 0 384.495 3.831 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)C(C)C)cc1OCC ZINC000237058305 844364236 /nfs/dbraw/zinc/36/42/36/844364236.db2.gz TYCNTEPCIWKFSP-GOSISDBHSA-N 1 0 386.330 3.909 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C[C@H]1C(F)(F)F ZINC000893194122 838791328 /nfs/dbraw/zinc/79/13/28/838791328.db2.gz CWSYPYHQDWFLLI-BZUAXINKSA-N 1 0 384.398 3.567 20 30 GHEDRO CON=Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000255418059 844397557 /nfs/dbraw/zinc/39/75/57/844397557.db2.gz ZTZOKXMHYVLKEB-XMSQKQJNSA-N 1 0 379.504 3.792 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1F ZINC000377199691 839081844 /nfs/dbraw/zinc/08/18/44/839081844.db2.gz VGCSLAKAWVUEBD-GOSISDBHSA-N 1 0 395.482 3.929 20 30 GHEDRO C[N@H+](CCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160449004 839133693 /nfs/dbraw/zinc/13/36/93/839133693.db2.gz XGMCCUSYVRLPAO-DFNIBXOVSA-N 1 0 385.508 3.799 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000549172790 839156868 /nfs/dbraw/zinc/15/68/68/839156868.db2.gz JGLXXYQJDIEWPG-CYBMUJFWSA-N 1 0 385.489 3.703 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000415090194 839182042 /nfs/dbraw/zinc/18/20/42/839182042.db2.gz XOXGJLNUKFSKTD-MRXNPFEDSA-N 1 0 394.475 3.952 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378483900 839205911 /nfs/dbraw/zinc/20/59/11/839205911.db2.gz RPHHKQSILCJGAS-QUCCMNQESA-N 1 0 395.453 3.743 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2SCCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378484383 839206774 /nfs/dbraw/zinc/20/67/74/839206774.db2.gz UWROPEPFDUFCPY-OAQYLSRUSA-N 1 0 391.540 3.692 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000378486848 839209663 /nfs/dbraw/zinc/20/96/63/839209663.db2.gz FAZHNOBRFIKMDI-IERDGZPVSA-N 1 0 393.487 3.590 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415113361 839222416 /nfs/dbraw/zinc/22/24/16/839222416.db2.gz BYVRGMZVWHBXGD-QGZVFWFLSA-N 1 0 378.476 3.567 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415116360 839227310 /nfs/dbraw/zinc/22/73/10/839227310.db2.gz FPIZBYUEUIXXJR-UHFFFAOYSA-N 1 0 392.503 3.957 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415121816 839242719 /nfs/dbraw/zinc/24/27/19/839242719.db2.gz KQRFAFCSZFFMHO-QFIPXVFZSA-N 1 0 378.476 3.695 20 30 GHEDRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328710879 839263804 /nfs/dbraw/zinc/26/38/04/839263804.db2.gz AXBAXEISMHDLKN-GGPKGHCWSA-N 1 0 381.524 3.734 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC000892880856 839309902 /nfs/dbraw/zinc/30/99/02/839309902.db2.gz MHLDAFQTASWOIC-IXDOHACOSA-N 1 0 376.463 3.527 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000178322211 839328595 /nfs/dbraw/zinc/32/85/95/839328595.db2.gz IROTVVKEYYIOQS-QGZVFWFLSA-N 1 0 387.524 3.952 20 30 GHEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3C)CC2)cs1 ZINC000614402915 844437548 /nfs/dbraw/zinc/43/75/48/844437548.db2.gz YUEFIGIUSYBHAC-QGZVFWFLSA-N 1 0 384.549 3.739 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000555548174 861191520 /nfs/dbraw/zinc/19/15/20/861191520.db2.gz IRFJYRZDWURFMQ-KUHUBIRLSA-N 1 0 383.879 3.672 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460551461 839795787 /nfs/dbraw/zinc/79/57/87/839795787.db2.gz MULOMUAXCPAFJR-UHFFFAOYSA-N 1 0 395.482 3.966 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1F ZINC000610459081 840100646 /nfs/dbraw/zinc/10/06/46/840100646.db2.gz GNDOGSGBCZISKQ-QGZVFWFLSA-N 1 0 380.467 3.503 20 30 GHEDRO C[N@H+](CCNC(=O)N[C@H](CCCC#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000431975982 840208782 /nfs/dbraw/zinc/20/87/82/840208782.db2.gz ZAFNUTFOPAZZKB-OAQYLSRUSA-N 1 0 382.483 3.992 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000566694867 840257496 /nfs/dbraw/zinc/25/74/96/840257496.db2.gz VHTSFXLUJZIOHK-VGSWGCGISA-N 1 0 391.490 3.898 20 30 GHEDRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000416941618 840296858 /nfs/dbraw/zinc/29/68/58/840296858.db2.gz IETLUXXHUXZWIT-UHFFFAOYSA-N 1 0 389.421 3.618 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418540736 840440381 /nfs/dbraw/zinc/44/03/81/840440381.db2.gz GRXAHNAKZUVBOI-FCHUYYIVSA-N 1 0 379.504 3.539 20 30 GHEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001167439421 840469378 /nfs/dbraw/zinc/46/93/78/840469378.db2.gz WOCGVHAKVWKQDI-SUMDDJOVSA-N 1 0 378.438 3.826 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CCC)[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000110780697 840605488 /nfs/dbraw/zinc/60/54/88/840605488.db2.gz DQCWJEUWMBHHKP-HSZRJFAPSA-N 1 0 393.506 3.894 20 30 GHEDRO C[C@H]1COc2ccccc2C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000543870181 840721090 /nfs/dbraw/zinc/72/10/90/840721090.db2.gz RMOGFPUOAQRTCW-AWEZNQCLSA-N 1 0 381.501 3.720 20 30 GHEDRO COc1cncc(/C=C/CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000581129133 840765007 /nfs/dbraw/zinc/76/50/07/840765007.db2.gz IUDYTZSNJFZDHV-GORDUTHDSA-N 1 0 376.504 3.573 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1)CC2 ZINC000584751067 840765017 /nfs/dbraw/zinc/76/50/17/840765017.db2.gz SZQGLYTUIQMPSI-LPHOPBHVSA-N 1 0 385.389 3.959 20 30 GHEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000581142877 840789153 /nfs/dbraw/zinc/78/91/53/840789153.db2.gz MFCFSJUSEOLYGO-UHFFFAOYSA-N 1 0 398.511 3.596 20 30 GHEDRO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ccc1C#N ZINC000511800566 840791961 /nfs/dbraw/zinc/79/19/61/840791961.db2.gz COFBBRXHTLQPEU-LADGPHEKSA-N 1 0 396.494 3.660 20 30 GHEDRO CCc1cc2c(ncnc2N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000024060012 844577868 /nfs/dbraw/zinc/57/78/68/844577868.db2.gz BUUAEJCGFJRLTA-UHFFFAOYSA-N 1 0 377.517 3.838 20 30 GHEDRO C[NH+](C)CCN(Cc1sccc1Br)Cc1ccc(C#N)cc1 ZINC000584807380 840929238 /nfs/dbraw/zinc/92/92/38/840929238.db2.gz WPROIIVHBSUWKM-UHFFFAOYSA-N 1 0 378.339 3.946 20 30 GHEDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000513144491 844601201 /nfs/dbraw/zinc/60/12/01/844601201.db2.gz LHNLXERAECWDHX-LJQANCHMSA-N 1 0 387.277 3.889 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000581382448 841211994 /nfs/dbraw/zinc/21/19/94/841211994.db2.gz MLDWBYFQBGHYIT-UHFFFAOYSA-N 1 0 383.540 3.687 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1ccc(F)cc1 ZINC000684254773 841366281 /nfs/dbraw/zinc/36/62/81/841366281.db2.gz MKHVOVRLDISODR-UHFFFAOYSA-N 1 0 390.528 3.803 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990216 841366727 /nfs/dbraw/zinc/36/67/27/841366727.db2.gz KAYQXZFCKAVMNG-PNLZDCPESA-N 1 0 376.504 3.913 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)C(=S)NC ZINC000027301946 841376831 /nfs/dbraw/zinc/37/68/31/841376831.db2.gz QTZYBGQCBYTYKJ-UHFFFAOYSA-O 1 0 398.552 3.679 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000581425979 841390278 /nfs/dbraw/zinc/39/02/78/841390278.db2.gz AOWXNVQZUMFZPF-GOSISDBHSA-N 1 0 376.504 3.777 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000661114123 841407779 /nfs/dbraw/zinc/40/77/79/841407779.db2.gz DPFHBJCQOHVTAL-GXTWGEPZSA-N 1 0 383.418 3.766 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2F)n1 ZINC000328789569 841419220 /nfs/dbraw/zinc/41/92/20/841419220.db2.gz KURKBTOXSNCHSB-GOSISDBHSA-N 1 0 385.487 3.734 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1OC ZINC000623560721 861205079 /nfs/dbraw/zinc/20/50/79/861205079.db2.gz PWYSDDUXIJMGQT-QGZVFWFLSA-N 1 0 388.895 3.779 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000893433316 841515391 /nfs/dbraw/zinc/51/53/91/841515391.db2.gz HZXQYNPRSXWJRC-UHFFFAOYSA-N 1 0 380.536 3.854 20 30 GHEDRO CC(C)(C)[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000548182276 841550743 /nfs/dbraw/zinc/55/07/43/841550743.db2.gz MEWSNFYUDWFMRO-QGZVFWFLSA-N 1 0 396.457 3.753 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662788175 841622625 /nfs/dbraw/zinc/62/26/25/841622625.db2.gz KILUUTWOVJIRHM-GFCCVEGCSA-N 1 0 392.246 3.787 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)CCC[NH2+]1 ZINC000662789719 841623463 /nfs/dbraw/zinc/62/34/63/841623463.db2.gz CRVZDAZZFKNPDW-NRFANRHFSA-N 1 0 382.533 3.609 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061288413 861225138 /nfs/dbraw/zinc/22/51/38/861225138.db2.gz TXQSFBDLIXEPOC-JXMROGBWSA-N 1 0 377.513 3.801 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2)cc1 ZINC000593760055 861225801 /nfs/dbraw/zinc/22/58/01/861225801.db2.gz DMJXMOHHDCRUFD-JTSKRJEESA-N 1 0 376.460 3.943 20 30 GHEDRO Cc1nnc(CNC(N[C@@H](C)c2ccccc2)=[NH+]C2C[C@H](C)C[C@H](C)C2)n1C ZINC000330362965 841761117 /nfs/dbraw/zinc/76/11/17/841761117.db2.gz JINYRUIADRSETI-XKMFVZKXSA-N 1 0 382.556 3.745 20 30 GHEDRO Cc1nnc(CNC(N[C@H](C)c2ccccc2)=[NH+]C2C[C@H](C)C[C@H](C)C2)n1C ZINC000330362964 841761405 /nfs/dbraw/zinc/76/14/05/841761405.db2.gz JINYRUIADRSETI-IWRZSDRUSA-N 1 0 382.556 3.745 20 30 GHEDRO C=CCc1cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc(OC)c1OC ZINC000500283504 841830811 /nfs/dbraw/zinc/83/08/11/841830811.db2.gz BELAOFAYRWAVQB-UHFFFAOYSA-N 1 0 384.476 3.625 20 30 GHEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000276411831 841858233 /nfs/dbraw/zinc/85/82/33/841858233.db2.gz LSOQTCFRWXCGRS-INIZCTEOSA-N 1 0 381.476 3.782 20 30 GHEDRO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000329292793 861255979 /nfs/dbraw/zinc/25/59/79/861255979.db2.gz RHIRSRCFNBWGEU-MISYRCLQSA-N 1 0 386.540 3.642 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000569188252 842053406 /nfs/dbraw/zinc/05/34/06/842053406.db2.gz PEAXAPCTMYCVIU-QFIPXVFZSA-N 1 0 381.520 3.725 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cc1OC ZINC000181973545 842069129 /nfs/dbraw/zinc/06/91/29/842069129.db2.gz OVMHUVXBPSMTFA-INIZCTEOSA-N 1 0 393.487 3.531 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515574 861273724 /nfs/dbraw/zinc/27/37/24/861273724.db2.gz GDUXMVHUAHIXNA-RBUKOAKNSA-N 1 0 386.442 3.650 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)CC3(C#N)CCOCC3)ccc21 ZINC000597027367 842202455 /nfs/dbraw/zinc/20/24/55/842202455.db2.gz VCSCORXXHVSFSQ-UHFFFAOYSA-N 1 0 382.508 3.632 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000585754841 842261834 /nfs/dbraw/zinc/26/18/34/842261834.db2.gz FQKISLCGCYYZCP-DLBZAZTESA-N 1 0 375.538 3.646 20 30 GHEDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000581853477 842302573 /nfs/dbraw/zinc/30/25/73/842302573.db2.gz FSMJAKVPDXEQSG-UHFFFAOYSA-N 1 0 383.395 3.543 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)cc1OC ZINC000512055123 842353153 /nfs/dbraw/zinc/35/31/53/842353153.db2.gz XDNUBCXHVPECMB-UHFFFAOYSA-N 1 0 383.488 3.878 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)on2)c1 ZINC000278962283 842386018 /nfs/dbraw/zinc/38/60/18/842386018.db2.gz MMKHCAXJQCYKRS-UHFFFAOYSA-N 1 0 386.455 3.561 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000617196118 842590144 /nfs/dbraw/zinc/59/01/44/842590144.db2.gz TVRXSXRSHPJIIB-QZTJIDSGSA-N 1 0 382.305 3.889 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610558225 842610061 /nfs/dbraw/zinc/61/00/61/842610061.db2.gz XLDRYDZKANHLAI-SFHVURJKSA-N 1 0 393.491 3.941 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000588928747 842798500 /nfs/dbraw/zinc/79/85/00/842798500.db2.gz PRUWYAZOSPAMRH-HXUWFJFHSA-N 1 0 394.906 3.983 20 30 GHEDRO CCCCCCCC[N@H+](CCN)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001167857567 842812775 /nfs/dbraw/zinc/81/27/75/842812775.db2.gz UVFNCQSOBCLYOJ-UHFFFAOYSA-N 1 0 389.584 3.921 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000610571508 842822627 /nfs/dbraw/zinc/82/26/27/842822627.db2.gz FWGYYZNUSXNOIX-NQIIRXRSSA-N 1 0 386.499 3.948 20 30 GHEDRO CCC1(CNS(=O)(=O)CCC(C)(C)C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000581970931 842856443 /nfs/dbraw/zinc/85/64/43/842856443.db2.gz AFZDYFTYFUTRCL-UHFFFAOYSA-N 1 0 391.581 3.538 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000028347911 861353010 /nfs/dbraw/zinc/35/30/10/861353010.db2.gz FBSZZFYZARHPFP-HUUCEWRRSA-N 1 0 376.460 3.585 20 30 GHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cccc(SCC#N)c3)C1)CCCC2 ZINC000430708242 842880638 /nfs/dbraw/zinc/88/06/38/842880638.db2.gz SHAXUZUHTYILHO-KRWDZBQOSA-N 1 0 380.517 3.773 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)CC[NH+]1CCCCC1 ZINC000652625897 842890250 /nfs/dbraw/zinc/89/02/50/842890250.db2.gz QMVPRKKIVFISRG-OALUTQOASA-N 1 0 389.588 3.695 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000329382036 861356538 /nfs/dbraw/zinc/35/65/38/861356538.db2.gz QNKGLZAWFINNMY-UHFFFAOYSA-N 1 0 398.551 3.872 20 30 GHEDRO C=C(C)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(CO)o1 ZINC000512196144 843028687 /nfs/dbraw/zinc/02/86/87/843028687.db2.gz MVQGVQIYPMNERS-UHFFFAOYSA-N 1 0 397.431 3.956 20 30 GHEDRO CC[C@H](CNC(=O)N1CCCC[C@@H]1c1ccnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000329403021 861377357 /nfs/dbraw/zinc/37/73/57/861377357.db2.gz ZNTADVHVRFIFPO-IFMALSPDSA-N 1 0 395.551 3.698 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599598142 861383894 /nfs/dbraw/zinc/38/38/94/861383894.db2.gz QWRZNLIQPYXMBZ-VQIMIIECSA-N 1 0 378.476 3.708 20 30 GHEDRO COC(=O)c1nc([C@@H]2CCCN2Cc2ccc(N(C)CCC#N)cc2)sc1C ZINC000279630988 843183907 /nfs/dbraw/zinc/18/39/07/843183907.db2.gz HZJAVFRHTMAQKT-SFHVURJKSA-N 1 0 398.532 3.925 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000610614181 843297869 /nfs/dbraw/zinc/29/78/69/843297869.db2.gz FARIRUWPNAJMAE-CHWSQXEVSA-N 1 0 379.304 3.559 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)N(CC)c3ccccc3)cc2)CCC[NH2+]1 ZINC000662479678 843316102 /nfs/dbraw/zinc/31/61/02/843316102.db2.gz CMKKEWZMKHISNC-DEOSSOPVSA-N 1 0 391.515 3.919 20 30 GHEDRO C=CC[C@@]1(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)CCC[NH2+]1 ZINC000662483730 843321723 /nfs/dbraw/zinc/32/17/23/843321723.db2.gz ASSOSBBESZFKTC-QHCPKHFHSA-N 1 0 392.503 3.954 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662552277 843410222 /nfs/dbraw/zinc/41/02/22/843410222.db2.gz RDZWIJPOYHIFGT-UHFFFAOYSA-N 1 0 396.260 3.598 20 30 GHEDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662571964 843414068 /nfs/dbraw/zinc/41/40/68/843414068.db2.gz LMVASLPHIAESOX-BXKDBHETSA-N 1 0 386.311 3.833 20 30 GHEDRO CN(C)C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000599628144 861415060 /nfs/dbraw/zinc/41/50/60/861415060.db2.gz PNHQOBYVXGFLAL-KRWDZBQOSA-N 1 0 397.350 3.528 20 30 GHEDRO C=CCN1C(=O)N(C[C@@H](c2ccco2)[NH+](CC)CC)C(=O)[C@H]1Cc1ccccc1 ZINC000431015427 843426435 /nfs/dbraw/zinc/42/64/35/843426435.db2.gz URTJYCMKKXQFST-UXHICEINSA-N 1 0 395.503 3.724 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000068966947 843443283 /nfs/dbraw/zinc/44/32/83/843443283.db2.gz NKJWNPBWRWFJRG-OAQYLSRUSA-N 1 0 390.531 3.530 20 30 GHEDRO C[C@@H](C(=O)NC1CCN(C(=O)C2CC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000329433232 861419826 /nfs/dbraw/zinc/41/98/26/861419826.db2.gz IKKPTYNXZNMGEU-SFHVURJKSA-N 1 0 397.563 3.687 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000162934961 843470480 /nfs/dbraw/zinc/47/04/80/843470480.db2.gz DESKWNHDYSMERI-QZTJIDSGSA-N 1 0 392.499 3.768 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCC(=O)NCc3ccccc3Cl)CCOCC2)cc1 ZINC000599631278 861422028 /nfs/dbraw/zinc/42/20/28/861422028.db2.gz ORAIWFXNFAWJIO-UHFFFAOYSA-N 1 0 397.906 3.513 20 30 GHEDRO Cc1cccc2c1CC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000105291806 843528067 /nfs/dbraw/zinc/52/80/67/843528067.db2.gz HLSHTVFSJBTGIQ-QFIPXVFZSA-N 1 0 376.504 3.627 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000418756665 843606104 /nfs/dbraw/zinc/60/61/04/843606104.db2.gz YMOOJRSOEBCYJV-JOCHJYFZSA-N 1 0 394.494 3.941 20 30 GHEDRO Cc1ccc(C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000162130452 861442685 /nfs/dbraw/zinc/44/26/85/861442685.db2.gz YJVRKKGOUQIQQD-MRXNPFEDSA-N 1 0 384.549 3.633 20 30 GHEDRO CCOCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCc2ccccc21 ZINC000599625910 861452656 /nfs/dbraw/zinc/45/26/56/861452656.db2.gz QWZFIOLERXTRCS-IBGZPJMESA-N 1 0 383.517 3.974 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000512428239 843760873 /nfs/dbraw/zinc/76/08/73/843760873.db2.gz QSJNAJNASJOFIM-WMZHIEFXSA-N 1 0 385.504 3.605 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)c1 ZINC000731111526 861472050 /nfs/dbraw/zinc/47/20/50/861472050.db2.gz SZBRMNSYPGWLTE-OAQYLSRUSA-N 1 0 377.488 3.657 20 30 GHEDRO N#Cc1ncn(CC[NH2+]Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 ZINC000512885787 843933718 /nfs/dbraw/zinc/93/37/18/843933718.db2.gz UHQCSEVLGGOPFS-UHFFFAOYSA-N 1 0 387.365 3.751 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000237493629 843948519 /nfs/dbraw/zinc/94/85/19/843948519.db2.gz LXVRUZWEZNPQQI-SFHVURJKSA-N 1 0 377.488 3.893 20 30 GHEDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CC1 ZINC000411969181 843958154 /nfs/dbraw/zinc/95/81/54/843958154.db2.gz LGMKXUSXGXBWCF-LKBUQDJMSA-N 1 0 389.565 3.866 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329466476 861479751 /nfs/dbraw/zinc/47/97/51/861479751.db2.gz VYUPVPPCTLLGIL-DFQSSKMNSA-N 1 0 383.536 3.645 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC[C@@H]21 ZINC000610814881 844648273 /nfs/dbraw/zinc/64/82/73/844648273.db2.gz GTUZBFQXTKDPOP-XLIONFOSSA-N 1 0 391.475 3.694 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512580963 844650056 /nfs/dbraw/zinc/65/00/56/844650056.db2.gz FKYYTKWGIZLPFS-UHFFFAOYSA-N 1 0 375.472 3.974 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000329471611 861494957 /nfs/dbraw/zinc/49/49/57/861494957.db2.gz ZDCDVTVZXAJSQN-QAPCUYQASA-N 1 0 393.503 3.591 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(C#N)cc3F)C2)cc(OC)c1 ZINC000512617726 844775839 /nfs/dbraw/zinc/77/58/39/844775839.db2.gz GNUWSSXCSRKPST-MAUKXSAKSA-N 1 0 383.467 3.640 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000246432223 844818403 /nfs/dbraw/zinc/81/84/03/844818403.db2.gz VMHGSULSDNYFMT-MSOLQXFVSA-N 1 0 381.524 3.557 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000729268259 844821879 /nfs/dbraw/zinc/82/18/79/844821879.db2.gz UIYOSJBPKOMHBG-UHFFFAOYSA-N 1 0 383.879 3.590 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2)CC1 ZINC000729302005 844835608 /nfs/dbraw/zinc/83/56/08/844835608.db2.gz PYVXHSZXWRAHEN-UHFFFAOYSA-N 1 0 387.487 3.559 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000512629145 844836222 /nfs/dbraw/zinc/83/62/22/844836222.db2.gz HQACPZFPRXOEEY-GFCCVEGCSA-N 1 0 390.256 3.540 20 30 GHEDRO C[C@H](NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000614472736 844971649 /nfs/dbraw/zinc/97/16/49/844971649.db2.gz HHUIAFCQJSFVRJ-MBSDFSHPSA-N 1 0 376.504 3.973 20 30 GHEDRO C=C(CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000512670659 844988890 /nfs/dbraw/zinc/98/88/90/844988890.db2.gz ATZPFPXNHSCLAG-JOCHJYFZSA-N 1 0 378.520 3.791 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000458332469 845035820 /nfs/dbraw/zinc/03/58/20/845035820.db2.gz GOYHXMORZDBKNN-UHFFFAOYSA-N 1 0 376.932 3.743 20 30 GHEDRO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(OC)c1 ZINC000599685514 861528373 /nfs/dbraw/zinc/52/83/73/861528373.db2.gz FDTHYJDODZVIIN-GUWAZMKPSA-N 1 0 392.499 3.592 20 30 GHEDRO C[C@@H](OC[C@@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC000599686700 861529776 /nfs/dbraw/zinc/52/97/76/861529776.db2.gz WAWRKRJVJSGXQE-IERDGZPVSA-N 1 0 384.907 3.903 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000513367549 845293971 /nfs/dbraw/zinc/29/39/71/845293971.db2.gz QGOBDKYYYPHDEI-UHFFFAOYSA-N 1 0 389.478 3.810 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000472010746 845363886 /nfs/dbraw/zinc/36/38/86/845363886.db2.gz RQHLWZVEFVHFTA-UHFFFAOYSA-N 1 0 397.548 3.945 20 30 GHEDRO [NH2+]=C(NCc1nnc2n1CCCCC2)Nc1cccc(Oc2ccccc2)c1 ZINC000262499550 845410713 /nfs/dbraw/zinc/41/07/13/845410713.db2.gz KMJGLETZSUYYCB-UHFFFAOYSA-N 1 0 376.464 3.724 20 30 GHEDRO C[N@@H+]1CCCN(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CC1 ZINC000329511800 861570258 /nfs/dbraw/zinc/57/02/58/861570258.db2.gz CEJHYPJHQOSUDU-UHFFFAOYSA-N 1 0 387.871 3.554 20 30 GHEDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000614489100 845480402 /nfs/dbraw/zinc/48/04/02/845480402.db2.gz JKFWEQKCUOGQPY-OAHLLOKOSA-N 1 0 381.423 3.557 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000588487759 845583723 /nfs/dbraw/zinc/58/37/23/845583723.db2.gz ZYADZERFIIRNKD-SFHVURJKSA-N 1 0 393.409 3.718 20 30 GHEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)N2CCOCC2)cc1 ZINC000104176517 845809693 /nfs/dbraw/zinc/80/96/93/845809693.db2.gz HDBIYHMPNSSJOK-JOCHJYFZSA-N 1 0 396.535 3.582 20 30 GHEDRO C#CCCOc1ccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000119704894 845985154 /nfs/dbraw/zinc/98/51/54/845985154.db2.gz FITMBRIWHCGEME-UHFFFAOYSA-N 1 0 378.516 3.905 20 30 GHEDRO C=CCCn1cc(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1 ZINC000657316719 846146415 /nfs/dbraw/zinc/14/64/15/846146415.db2.gz KKNVHFXZEWLSDL-UHFFFAOYSA-N 1 0 393.457 3.627 20 30 GHEDRO C[C@@H]1C[NH+](CCCNc2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H](C)O1 ZINC000072018801 846235838 /nfs/dbraw/zinc/23/58/38/846235838.db2.gz SDCHEFZBHGXPJT-ZIAGYGMSSA-N 1 0 390.434 3.619 20 30 GHEDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000016402225 846237034 /nfs/dbraw/zinc/23/70/34/846237034.db2.gz BZWHPPZVAMIVKB-SFHVURJKSA-N 1 0 397.519 3.560 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000280237219 846341350 /nfs/dbraw/zinc/34/13/50/846341350.db2.gz ARXPJUWOTAKLOU-FQEVSTJZSA-N 1 0 375.538 3.718 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000551777501 846516591 /nfs/dbraw/zinc/51/65/91/846516591.db2.gz LOFFUWVQBCMGFQ-PARPOCPVSA-N 1 0 389.499 3.844 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1 ZINC000419405676 846528704 /nfs/dbraw/zinc/52/87/04/846528704.db2.gz SZVVDTOZARQEOR-RTWAWAEBSA-N 1 0 380.467 3.677 20 30 GHEDRO COc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c(F)cc1C#N ZINC000599812934 861707954 /nfs/dbraw/zinc/70/79/54/861707954.db2.gz WEMRMZKZDZPFDK-QGZVFWFLSA-N 1 0 390.846 3.784 20 30 GHEDRO COc1cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c(F)cc1C#N ZINC000599819355 861722814 /nfs/dbraw/zinc/72/28/14/861722814.db2.gz NROQUNXAVHOVMH-UHFFFAOYSA-N 1 0 396.466 3.834 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000503148974 846841481 /nfs/dbraw/zinc/84/14/81/846841481.db2.gz AMQYGLHLDVLTSA-UZUQRXQVSA-N 1 0 399.535 3.590 20 30 GHEDRO N#CCCn1ncc(C(=O)NCCC[NH2+]C2CCCCC2)c1-c1ccccc1 ZINC000419901184 846878626 /nfs/dbraw/zinc/87/86/26/846878626.db2.gz SQIGRUFHPHFSSQ-UHFFFAOYSA-N 1 0 379.508 3.506 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(OC)c(C#N)cc1F)c1ccsc1 ZINC000599819517 861729866 /nfs/dbraw/zinc/72/98/66/861729866.db2.gz KFILWSPNMPTHMW-KRWDZBQOSA-N 1 0 390.484 3.972 20 30 GHEDRO C[N@H+](CCCOc1cccc(C#N)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000501407751 846910890 /nfs/dbraw/zinc/91/08/90/846910890.db2.gz FNCVCSUGOPSFJZ-IBGZPJMESA-N 1 0 389.293 3.755 20 30 GHEDRO CC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000179727289 861734336 /nfs/dbraw/zinc/73/43/36/861734336.db2.gz ZBEWFNDXNYOFNG-FQEVSTJZSA-N 1 0 384.907 3.899 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nn1CCC#N ZINC000272065034 846983294 /nfs/dbraw/zinc/98/32/94/846983294.db2.gz JKTJDNYJMJPWMW-QGZVFWFLSA-N 1 0 394.523 3.659 20 30 GHEDRO N#Cc1ccc2ncc(CN3CCN(c4ccc(C(F)(F)F)cc4)CC3)n2c1 ZINC000127503032 847014291 /nfs/dbraw/zinc/01/42/91/847014291.db2.gz IQHQOZCRRTUVFD-UHFFFAOYSA-N 1 0 385.393 3.547 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000162487006 861761868 /nfs/dbraw/zinc/76/18/68/861761868.db2.gz IVAZQZQQHLYBMX-UHFFFAOYSA-N 1 0 377.488 3.993 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cc4cc(Br)ccc4[nH]3)n2c1 ZINC000183823008 847195551 /nfs/dbraw/zinc/19/55/51/847195551.db2.gz HNEORWIWZNCYCL-UHFFFAOYSA-N 1 0 380.249 3.740 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](C)C2)c1C#N ZINC000501794070 847196033 /nfs/dbraw/zinc/19/60/33/847196033.db2.gz WOCGEZGRWHHFAW-HOTGVXAUSA-N 1 0 382.508 3.924 20 30 GHEDRO C[N@H+](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[C@@H]1CCSC1 ZINC000132779054 861772270 /nfs/dbraw/zinc/77/22/70/861772270.db2.gz MWEZSEKSKMSRKZ-LJQANCHMSA-N 1 0 381.501 3.513 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COCc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000187757471 847288001 /nfs/dbraw/zinc/28/80/01/847288001.db2.gz DVLBYHIEKHNFMY-DYESRHJHSA-N 1 0 377.431 3.758 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000509962615 847363588 /nfs/dbraw/zinc/36/35/88/847363588.db2.gz DOVWVDRLTMTQRC-JOCHJYFZSA-N 1 0 391.515 3.692 20 30 GHEDRO N#Cc1csc(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000562071452 847455272 /nfs/dbraw/zinc/45/52/72/847455272.db2.gz APSXWIPNYQTUJK-UHFFFAOYSA-N 1 0 376.791 3.641 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000731669770 861800745 /nfs/dbraw/zinc/80/07/45/861800745.db2.gz XQYBDCCODWOTFP-UHFFFAOYSA-N 1 0 389.297 3.623 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC2(c3ccccc3Br)CCC2)nn1 ZINC000657471757 847634694 /nfs/dbraw/zinc/63/46/94/847634694.db2.gz HDTUHKJFKOPLLU-UHFFFAOYSA-N 1 0 375.314 3.828 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1ccc(Br)o1)C(C)C ZINC000503412857 847677439 /nfs/dbraw/zinc/67/74/39/847677439.db2.gz QCXYZHSSLGFHTR-MRXNPFEDSA-N 1 0 398.345 3.882 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503453829 847704478 /nfs/dbraw/zinc/70/44/78/847704478.db2.gz GTZIZKMTTDZUDO-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000502296149 847704894 /nfs/dbraw/zinc/70/48/94/847704894.db2.gz YJBVBNHGOCWUPT-IBGZPJMESA-N 1 0 388.515 3.877 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000503598137 847822654 /nfs/dbraw/zinc/82/26/54/847822654.db2.gz PXRQLCHJUCWDGX-GOSISDBHSA-N 1 0 388.581 3.741 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2cccc(C#N)c2)CC1 ZINC000048807390 847910492 /nfs/dbraw/zinc/91/04/92/847910492.db2.gz NEBOZEKRUYBBMR-UHFFFAOYSA-N 1 0 376.504 3.790 20 30 GHEDRO C=C(C)CN1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000152936574 847937684 /nfs/dbraw/zinc/93/76/84/847937684.db2.gz FOVAPFXRRGVIGK-UHFFFAOYSA-N 1 0 375.944 3.575 20 30 GHEDRO C[C@H](Sc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000158725225 848015272 /nfs/dbraw/zinc/01/52/72/848015272.db2.gz CTWINONJAGYBIB-KRWDZBQOSA-N 1 0 379.529 3.820 20 30 GHEDRO CC[C@@H]1C[C@@H](C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC(=O)N1 ZINC000329636868 861857208 /nfs/dbraw/zinc/85/72/08/861857208.db2.gz YHOSYLDLFQVKOU-QZTJIDSGSA-N 1 0 384.524 3.952 20 30 GHEDRO COc1cc2cccnc2c(N(c2ccc(CC#N)cn2)[C@@H](C)CCC[NH3+])c1 ZINC001167611074 848295237 /nfs/dbraw/zinc/29/52/37/848295237.db2.gz HINVYLODQMAJAF-INIZCTEOSA-N 1 0 375.476 3.970 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncccc2CC#N)[C@@H](C)CCC[NH3+])c1 ZINC001167612676 848331263 /nfs/dbraw/zinc/33/12/63/848331263.db2.gz ODJALUMZERGZSX-INIZCTEOSA-N 1 0 375.476 3.970 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1OC ZINC000657617304 848336998 /nfs/dbraw/zinc/33/69/98/848336998.db2.gz GSMYQKQDRDFJJW-CQSZACIVSA-N 1 0 392.240 3.536 20 30 GHEDRO COc1cc2cccnc2c(N(c2cncc(CC#N)c2)[C@@H](C)CCC[NH3+])c1 ZINC001167615708 848370949 /nfs/dbraw/zinc/37/09/49/848370949.db2.gz NSAARRUDHSNJOU-INIZCTEOSA-N 1 0 375.476 3.970 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000599942808 861906990 /nfs/dbraw/zinc/90/69/90/861906990.db2.gz YVYLKPAIKLLWCJ-FCHUYYIVSA-N 1 0 390.531 3.743 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000731851820 861907188 /nfs/dbraw/zinc/90/71/88/861907188.db2.gz GCNZWYYQQNDALQ-SFHVURJKSA-N 1 0 384.867 3.703 20 30 GHEDRO N#CCOc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000731960807 861980210 /nfs/dbraw/zinc/98/02/10/861980210.db2.gz FFCIACOWFAPWBL-OAQYLSRUSA-N 1 0 397.906 3.738 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2CCC(O)CC2)cc1OC ZINC000657738413 849235066 /nfs/dbraw/zinc/23/50/66/849235066.db2.gz HJEVZANDPYQAQE-UHFFFAOYSA-N 1 0 384.314 3.663 20 30 GHEDRO N#Cc1csc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000178812606 849266040 /nfs/dbraw/zinc/26/60/40/849266040.db2.gz ZJOGYHSJEIUXJU-KRWDZBQOSA-N 1 0 377.473 3.516 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000583221807 849365596 /nfs/dbraw/zinc/36/55/96/849365596.db2.gz HOVDEFNKABQZPA-NRFANRHFSA-N 1 0 380.492 3.964 20 30 GHEDRO C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000780378668 849555884 /nfs/dbraw/zinc/55/58/84/849555884.db2.gz CGDDDLOTCNADJP-BPLDGKMQSA-N 1 0 388.393 3.886 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080165112 849689739 /nfs/dbraw/zinc/68/97/39/849689739.db2.gz XGJDADLDQMZXSU-GCJKJVERSA-N 1 0 376.504 3.753 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@@H]([NH+](CC)CC)C2)c1=S ZINC000161663318 849691607 /nfs/dbraw/zinc/69/16/07/849691607.db2.gz ZUIOUXJLZAIMAU-OAHLLOKOSA-N 1 0 377.583 3.702 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(OC(F)F)c(F)c3)C2=O)cc1 ZINC000503893927 849746748 /nfs/dbraw/zinc/74/67/48/849746748.db2.gz ONCWYPSJSVTFAR-QGZVFWFLSA-N 1 0 389.377 3.584 20 30 GHEDRO Cc1oc(NC(=O)CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000151178623 849752585 /nfs/dbraw/zinc/75/25/85/849752585.db2.gz CWTMXABXULLXLA-INIZCTEOSA-N 1 0 386.540 3.683 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000505545664 849833944 /nfs/dbraw/zinc/83/39/44/849833944.db2.gz WFBMHHCKKBCXSA-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000504040040 849851963 /nfs/dbraw/zinc/85/19/63/849851963.db2.gz SOPPWGWUQRHZMH-NRFANRHFSA-N 1 0 391.515 3.525 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514542865 849986862 /nfs/dbraw/zinc/98/68/62/849986862.db2.gz QOGSZWYPSPWXLM-CVEARBPZSA-N 1 0 397.548 3.847 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)n(C2CCOCC2)c1C)C(C)C ZINC000668682540 850082428 /nfs/dbraw/zinc/08/24/28/850082428.db2.gz JJHBVXQBABCRNS-QFIPXVFZSA-N 1 0 387.568 3.885 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c(OC)c1 ZINC000504493381 850089180 /nfs/dbraw/zinc/08/91/80/850089180.db2.gz QGRWNGQWNHGQFK-NHCUHLMSSA-N 1 0 397.515 3.662 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)cc1 ZINC000504503010 850103477 /nfs/dbraw/zinc/10/34/77/850103477.db2.gz JFJQATYLHDIQCJ-CYMONXJESA-N 1 0 383.536 3.804 20 30 GHEDRO C=CCc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc(OC)c1OC ZINC000423977019 850134853 /nfs/dbraw/zinc/13/48/53/850134853.db2.gz HTIPZBKLBGDRAA-UHFFFAOYSA-N 1 0 387.505 3.608 20 30 GHEDRO C=C(CNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000510029427 850158621 /nfs/dbraw/zinc/15/86/21/850158621.db2.gz PUWMQLZFCIPGKZ-UHFFFAOYSA-N 1 0 391.515 3.687 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(-c4ccncc4)c3)C2=O)cc1 ZINC000486856517 850170545 /nfs/dbraw/zinc/17/05/45/850170545.db2.gz PFUDYGIFVHXTFH-HSZRJFAPSA-N 1 0 382.467 3.511 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000486894500 850211052 /nfs/dbraw/zinc/21/10/52/850211052.db2.gz AAOWNHLRMQTWBR-HTAPYJJXSA-N 1 0 377.488 3.624 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1ccc(C#N)cc1 ZINC000514723357 850215072 /nfs/dbraw/zinc/21/50/72/850215072.db2.gz JAELLVOKTLOGOQ-UHFFFAOYSA-N 1 0 397.548 3.535 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1OCC ZINC000668706323 850221405 /nfs/dbraw/zinc/22/14/05/850221405.db2.gz RHLXPKPXEYLYNN-JKSUJKDBSA-N 1 0 396.325 3.881 20 30 GHEDRO CSc1cccc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2cc(F)ccc2F)c1 ZINC000424121887 850236341 /nfs/dbraw/zinc/23/63/41/850236341.db2.gz IEGHNZDBQHRPBF-OALUTQOASA-N 1 0 389.471 3.913 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C12CCCC2 ZINC000439668959 850252993 /nfs/dbraw/zinc/25/29/93/850252993.db2.gz FSBSFBNMTAEWCJ-DZFGPLHGSA-N 1 0 399.535 3.658 20 30 GHEDRO C[C@H](O)[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1F ZINC000569610518 850264108 /nfs/dbraw/zinc/26/41/08/850264108.db2.gz LHOIVWBCUBUHHQ-KKSFZXQISA-N 1 0 378.451 3.815 20 30 GHEDRO Cn1cc(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000424193358 850283042 /nfs/dbraw/zinc/28/30/42/850283042.db2.gz VOXJLIVSHMQULN-UHFFFAOYSA-N 1 0 382.508 3.806 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000518896762 850295186 /nfs/dbraw/zinc/29/51/86/850295186.db2.gz HPAVTFRCSJPZKG-JOCHJYFZSA-N 1 0 395.503 3.931 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000506658978 850328475 /nfs/dbraw/zinc/32/84/75/850328475.db2.gz AEUMZZBBBVAVEK-WOJBJXKFSA-N 1 0 393.487 3.812 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000518922038 850334107 /nfs/dbraw/zinc/33/41/07/850334107.db2.gz RHDDHUGSZOHIMN-YOEHRIQHSA-N 1 0 384.446 3.889 20 30 GHEDRO N#Cc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1Cl ZINC000518968732 850419859 /nfs/dbraw/zinc/41/98/59/850419859.db2.gz YXHXADRHCMLJOM-FXAWDEMLSA-N 1 0 380.879 3.950 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000504936004 850450881 /nfs/dbraw/zinc/45/08/81/850450881.db2.gz IMGCZKQAAHWCTC-UHFFFAOYSA-N 1 0 394.494 3.502 20 30 GHEDRO C=CCn1c(S[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccccn1 ZINC000487123347 850459043 /nfs/dbraw/zinc/45/90/43/850459043.db2.gz GBMRFBATTDLSFZ-SFHVURJKSA-N 1 0 377.517 3.893 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424648258 850599368 /nfs/dbraw/zinc/59/93/68/850599368.db2.gz LSMGPNUJZZRNFE-UHFFFAOYSA-N 1 0 381.314 3.536 20 30 GHEDRO C[C@@H]1CN(CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1 ZINC000237407351 862150261 /nfs/dbraw/zinc/15/02/61/862150261.db2.gz BOQQEZNESBCGQK-WOJBJXKFSA-N 1 0 393.531 3.726 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000515057177 850633626 /nfs/dbraw/zinc/63/36/26/850633626.db2.gz SCHOYDXDFNZVGX-SJLPKXTDSA-N 1 0 381.524 3.539 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2O)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000909303160 850696812 /nfs/dbraw/zinc/69/68/12/850696812.db2.gz YFUZDVWMKHGFAY-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108374761 850767120 /nfs/dbraw/zinc/76/71/20/850767120.db2.gz NLRROYMGWAVZEU-OPAMFIHVSA-N 1 0 399.514 3.523 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000623786339 862177710 /nfs/dbraw/zinc/17/77/10/862177710.db2.gz JHFWHPVASRURJX-OAQYLSRUSA-N 1 0 385.552 3.980 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@@H+]1C ZINC000437995025 850868053 /nfs/dbraw/zinc/86/80/53/850868053.db2.gz ISHFPHABAILUGI-BEFAXECRSA-N 1 0 396.466 3.881 20 30 GHEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000522634691 862207707 /nfs/dbraw/zinc/20/77/07/862207707.db2.gz HNSHBMNTMXDGNT-HNNXBMFYSA-N 1 0 381.863 3.970 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000515541397 851172403 /nfs/dbraw/zinc/17/24/03/851172403.db2.gz IJJSIPYZRLSBQY-UHFFFAOYSA-N 1 0 393.535 3.667 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCN(c2ccccc2)CC1)C(C)C ZINC000514073824 851193222 /nfs/dbraw/zinc/19/32/22/851193222.db2.gz DIPDGOGCAKVJHB-QFIPXVFZSA-N 1 0 384.568 3.653 20 30 GHEDRO C=CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000187739413 851237351 /nfs/dbraw/zinc/23/73/51/851237351.db2.gz VUFITHVIUYDJBX-PKTZIBPZSA-N 1 0 378.516 3.619 20 30 GHEDRO O=C(C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1)Nc1ccc2c(c1)OCCCO2 ZINC000329725441 862239365 /nfs/dbraw/zinc/23/93/65/862239365.db2.gz BWGYLWXERHRFNM-IBGZPJMESA-N 1 0 393.487 3.573 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000505462907 851445096 /nfs/dbraw/zinc/44/50/96/851445096.db2.gz VPGNFWRGHJWUIP-UHFFFAOYSA-N 1 0 378.314 3.570 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000425542358 851590329 /nfs/dbraw/zinc/59/03/29/851590329.db2.gz QTHRGGGKCYZDQU-LAUBAEHRSA-N 1 0 380.488 3.728 20 30 GHEDRO N#CCc1cccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000505819341 851605558 /nfs/dbraw/zinc/60/55/58/851605558.db2.gz RGUKADUETZZGHJ-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000550138965 851729482 /nfs/dbraw/zinc/72/94/82/851729482.db2.gz NFKSCDOMXMQYOC-INIZCTEOSA-N 1 0 386.305 3.597 20 30 GHEDRO COc1ccccc1C[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000185879371 862285987 /nfs/dbraw/zinc/28/59/87/862285987.db2.gz MAAYNKZTTOTHFN-BEFAXECRSA-N 1 0 383.492 3.961 20 30 GHEDRO C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000329744180 862286216 /nfs/dbraw/zinc/28/62/16/862286216.db2.gz XRQVFYXONRMGSG-WIYYLYMNSA-N 1 0 385.552 3.705 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000604539169 862290679 /nfs/dbraw/zinc/29/06/79/862290679.db2.gz QFAKVHJJGQAOQR-MRXNPFEDSA-N 1 0 395.482 3.722 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000438000809 851937470 /nfs/dbraw/zinc/93/74/70/851937470.db2.gz QEDAJCPHFQAHIQ-JBACZVJFSA-N 1 0 385.552 3.930 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](C[NH+]4CCCCCC4)C3)C2=O)cc1 ZINC000489259592 852159154 /nfs/dbraw/zinc/15/91/54/852159154.db2.gz RIDIXRHINZVKPN-GGAORHGYSA-N 1 0 394.563 3.642 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](C[NH+]4CCCCCC4)C3)C2=O)cc1 ZINC000489259591 852159246 /nfs/dbraw/zinc/15/92/46/852159246.db2.gz RIDIXRHINZVKPN-FYYLOGMGSA-N 1 0 394.563 3.642 20 30 GHEDRO N#Cc1c(C#N)c(-n2cc(CC[NH3+])c3cc(O)ccc32)nc2c1CCCCCC2 ZINC001167983049 852177903 /nfs/dbraw/zinc/17/79/03/852177903.db2.gz OFWMSWRJUZODQT-UHFFFAOYSA-N 1 0 385.471 3.635 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000516183709 852229553 /nfs/dbraw/zinc/22/95/53/852229553.db2.gz OMUFOIPROYLCLV-INIZCTEOSA-N 1 0 395.469 3.867 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000489330792 852235913 /nfs/dbraw/zinc/23/59/13/852235913.db2.gz CSPWKSPBZBWTGN-QFIPXVFZSA-N 1 0 377.488 3.549 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(Cc3cc(C)ccc3OC)CC2)c1O ZINC000732525768 862335916 /nfs/dbraw/zinc/33/59/16/862335916.db2.gz BWYFHZQYWUHPJE-UHFFFAOYSA-N 1 0 396.531 3.764 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000516237836 852310269 /nfs/dbraw/zinc/31/02/69/852310269.db2.gz NTXRKLPUXFICPT-UDDICAGYSA-N 1 0 389.927 3.802 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)[NH+](C)C)c1 ZINC000425645133 852449750 /nfs/dbraw/zinc/44/97/50/852449750.db2.gz OEFDULFTGKHLJM-IERDGZPVSA-N 1 0 380.492 3.572 20 30 GHEDRO COCCCOc1cccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438476047 852472303 /nfs/dbraw/zinc/47/23/03/852472303.db2.gz ZRROAKWZVWZZBZ-UHFFFAOYSA-N 1 0 395.503 3.848 20 30 GHEDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000425661878 852555917 /nfs/dbraw/zinc/55/59/17/852555917.db2.gz ZDAFAPOWKANYOZ-MRXNPFEDSA-N 1 0 390.553 3.655 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(OCC(F)F)cc3)CC2)cc1 ZINC000506295614 852616237 /nfs/dbraw/zinc/61/62/37/852616237.db2.gz SMPJVXJVRHLLII-UHFFFAOYSA-N 1 0 385.458 3.910 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507178986 852628139 /nfs/dbraw/zinc/62/81/39/852628139.db2.gz GMKAVUZDSHKTHJ-VGSWGCGISA-N 1 0 382.508 3.649 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000507180451 852630824 /nfs/dbraw/zinc/63/08/24/852630824.db2.gz NLNMIOMVILRYSF-RTWAWAEBSA-N 1 0 381.516 3.961 20 30 GHEDRO C=CCc1cc(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)cc(OC)c1OC ZINC000489925693 852649626 /nfs/dbraw/zinc/64/96/26/852649626.db2.gz ASXGWBMAIDGTCT-OAQYLSRUSA-N 1 0 382.504 3.742 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000505954059 852686802 /nfs/dbraw/zinc/68/68/02/852686802.db2.gz RVWJBSWBUYTQSN-IBGZPJMESA-N 1 0 378.451 3.754 20 30 GHEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000438665741 852703993 /nfs/dbraw/zinc/70/39/93/852703993.db2.gz QYRUXCOKEOYWAT-OAHLLOKOSA-N 1 0 382.439 3.953 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)c3ncccc23)CC1 ZINC000518004906 852724147 /nfs/dbraw/zinc/72/41/47/852724147.db2.gz FWPAJCPFVCMRAC-UHFFFAOYSA-N 1 0 390.434 3.998 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2sccc2[C@H]1CC ZINC000669033394 852787620 /nfs/dbraw/zinc/78/76/20/852787620.db2.gz OFAHWVMZAWJMPB-NXHRZFHOSA-N 1 0 399.564 3.575 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1)C1CC1 ZINC000329882228 862394034 /nfs/dbraw/zinc/39/40/34/862394034.db2.gz PPZHITHKEANCOG-GGAORHGYSA-N 1 0 381.520 3.738 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCCC2(CCCCC2)CC1 ZINC000329886331 862397156 /nfs/dbraw/zinc/39/71/56/862397156.db2.gz VYKOBHKOSXEHGF-WOJBJXKFSA-N 1 0 377.573 3.715 20 30 GHEDRO N#Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000426155390 852870357 /nfs/dbraw/zinc/87/03/57/852870357.db2.gz XDZTZLFVNKGERU-UHFFFAOYSA-N 1 0 397.910 3.545 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429603827 852903287 /nfs/dbraw/zinc/90/32/87/852903287.db2.gz HNMUZGFKBHOPPU-QRVBRYPASA-N 1 0 393.535 3.560 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(C)(C#N)CC2)c1C#N ZINC000506018632 852960958 /nfs/dbraw/zinc/96/09/58/852960958.db2.gz YJVMCFREAIBPIA-UHFFFAOYSA-N 1 0 393.491 3.572 20 30 GHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437429951 853105635 /nfs/dbraw/zinc/10/56/35/853105635.db2.gz WHPYUVKAPDNLGE-PBHICJAKSA-N 1 0 379.451 3.676 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)ccc1C#N ZINC000516880887 853112276 /nfs/dbraw/zinc/11/22/76/853112276.db2.gz CEZBMLQMVGSUTE-QRWLVFNGSA-N 1 0 381.451 3.548 20 30 GHEDRO CCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000186951699 862430476 /nfs/dbraw/zinc/43/04/76/862430476.db2.gz AJXMUSVFDBLHJQ-UHFFFAOYSA-O 1 0 394.520 3.718 20 30 GHEDRO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329929330 862433006 /nfs/dbraw/zinc/43/30/06/862433006.db2.gz NILXMQHIUDLRHJ-UIFIKXQLSA-N 1 0 383.536 3.502 20 30 GHEDRO COc1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc2c1OCCO2 ZINC000111408847 853158077 /nfs/dbraw/zinc/15/80/77/853158077.db2.gz ZKFFLMPZZYECTH-UHFFFAOYSA-N 1 0 394.471 3.818 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000518294964 853188616 /nfs/dbraw/zinc/18/86/16/853188616.db2.gz MKXZAJCRGOGWHC-OAQYLSRUSA-N 1 0 398.551 3.769 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)C1 ZINC000329941654 862441727 /nfs/dbraw/zinc/44/17/27/862441727.db2.gz VDPBCPUJONEABH-NVXWUHKLSA-N 1 0 389.544 3.551 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1c(F)cccc1C#N ZINC000506493967 853335655 /nfs/dbraw/zinc/33/56/55/853335655.db2.gz BIUFBFNHFXFSCJ-QGZVFWFLSA-N 1 0 379.479 3.931 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000437643442 853355880 /nfs/dbraw/zinc/35/58/80/853355880.db2.gz ZUJLAYMPLBKDBL-NYVOZVTQSA-N 1 0 385.552 3.699 20 30 GHEDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000329962898 862462467 /nfs/dbraw/zinc/46/24/67/862462467.db2.gz SYPPLVPGMGEGEH-LEWJYISDSA-N 1 0 385.552 3.894 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@@H]2CCO)sc2c1CCCCC2 ZINC000329970091 862467522 /nfs/dbraw/zinc/46/75/22/862467522.db2.gz WYBWXHXVENZVMC-AWEZNQCLSA-N 1 0 393.578 3.667 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccc(F)cc4F)C3)CC2)cc1 ZINC000586790015 853550315 /nfs/dbraw/zinc/55/03/15/853550315.db2.gz ZXSZYSWEDFTNGV-IBGZPJMESA-N 1 0 382.458 3.674 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(c3nc(Cl)c(C#N)s3)C2)ccn1 ZINC000856534661 881343710 /nfs/dbraw/zinc/34/37/10/881343710.db2.gz ABFVHJUKRMHQMP-HNNXBMFYSA-N 1 0 391.928 3.561 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+](CCc2ccccc2)Cc2ccccc2)c1 ZINC000519907959 853599848 /nfs/dbraw/zinc/59/98/48/853599848.db2.gz WNQGDKKDXYIGLH-UHFFFAOYSA-N 1 0 383.495 3.919 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000329995425 862490003 /nfs/dbraw/zinc/49/00/03/862490003.db2.gz NDUDHHQNMFDRAM-KKXNLOMOSA-N 1 0 387.499 3.651 20 30 GHEDRO C[C@@H](Oc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044566304 853661325 /nfs/dbraw/zinc/66/13/25/853661325.db2.gz PUHFVCKZNRBONN-MRXNPFEDSA-N 1 0 385.895 3.569 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000055309715 853787227 /nfs/dbraw/zinc/78/72/27/853787227.db2.gz NESFQFQNBSZXLH-UHFFFAOYSA-N 1 0 377.532 3.665 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[NH+]1CCC(C)CC1 ZINC000520061972 853798003 /nfs/dbraw/zinc/79/80/03/853798003.db2.gz ORCZXEHRCWWPRU-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCC2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000440985520 853800995 /nfs/dbraw/zinc/80/09/95/853800995.db2.gz MHRUEGICFHHWMI-FYYGKBSSSA-N 1 0 382.552 3.916 20 30 GHEDRO CC(C)(C)OCCCCn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000571299370 853834286 /nfs/dbraw/zinc/83/42/86/853834286.db2.gz PKVKTMZUBHEFSI-UHFFFAOYSA-N 1 0 393.531 3.874 20 30 GHEDRO CC(C)C(=O)NC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000330014432 862507947 /nfs/dbraw/zinc/50/79/47/862507947.db2.gz MZNXNGVCRLKZNM-UHFFFAOYSA-N 1 0 378.561 3.774 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c(C(F)(F)F)c1 ZINC000571368266 853878982 /nfs/dbraw/zinc/87/89/82/853878982.db2.gz QZOLYQGPSVJQCG-UHFFFAOYSA-N 1 0 387.405 3.989 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(O)c(OC)c1 ZINC000164466269 854017463 /nfs/dbraw/zinc/01/74/63/854017463.db2.gz YLCIDCOSPGBQKS-HXUWFJFHSA-N 1 0 375.509 3.679 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000520268774 854018064 /nfs/dbraw/zinc/01/80/64/854018064.db2.gz BEJSEFXBGATWHG-KRWDZBQOSA-N 1 0 383.517 3.500 20 30 GHEDRO COC[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000330037374 862523771 /nfs/dbraw/zinc/52/37/71/862523771.db2.gz ZBQDPHGICPWAGM-HXUWFJFHSA-N 1 0 377.504 3.814 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000481924526 862531681 /nfs/dbraw/zinc/53/16/81/862531681.db2.gz LHDNVZKPQIIZOQ-KSFYIVLOSA-N 1 0 397.544 3.927 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000055820701 854117662 /nfs/dbraw/zinc/11/76/62/854117662.db2.gz VNVXDCYVUSLLOH-UHFFFAOYSA-N 1 0 377.488 3.841 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000588231232 854224568 /nfs/dbraw/zinc/22/45/68/854224568.db2.gz ODNGGHRDBDVZOT-SJLPKXTDSA-N 1 0 379.426 3.859 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588746553 854375937 /nfs/dbraw/zinc/37/59/37/854375937.db2.gz LGUWUQGJKVGPOC-SFHVURJKSA-N 1 0 379.464 3.741 20 30 GHEDRO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000328601324 854500988 /nfs/dbraw/zinc/50/09/88/854500988.db2.gz FGNLNRQEXFUUAK-IBGZPJMESA-N 1 0 381.524 3.903 20 30 GHEDRO CN1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328704651 854516487 /nfs/dbraw/zinc/51/64/87/854516487.db2.gz KQXMFSMWZOVBGV-MAUKXSAKSA-N 1 0 376.863 3.762 20 30 GHEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1csc([C@@H]2CCCO2)n1 ZINC000328748387 854527004 /nfs/dbraw/zinc/52/70/04/854527004.db2.gz BGXFUHPBYAFGFT-SFHVURJKSA-N 1 0 387.505 3.588 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000669305002 854536311 /nfs/dbraw/zinc/53/63/11/854536311.db2.gz WRXQPUICJWKRPB-FQEVSTJZSA-N 1 0 390.535 3.603 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccco1 ZINC000671765139 854546808 /nfs/dbraw/zinc/54/68/08/854546808.db2.gz YMGKTKDUAUBCBP-CVEARBPZSA-N 1 0 380.535 3.649 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)C[C@H]1C ZINC000328816403 854547429 /nfs/dbraw/zinc/54/74/29/854547429.db2.gz OQJAFVOVKJZMSD-MJGOQNOKSA-N 1 0 393.535 3.952 20 30 GHEDRO CC(C)Cn1ncc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1C(F)F ZINC000328820375 854550429 /nfs/dbraw/zinc/55/04/29/854550429.db2.gz FHMMXWICTFJDLZ-UHFFFAOYSA-N 1 0 383.487 3.973 20 30 GHEDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1coc(C2CCOCC2)n1 ZINC000328789686 854558055 /nfs/dbraw/zinc/55/80/55/854558055.db2.gz KXEVGWDQPRPLBN-UHFFFAOYSA-N 1 0 387.505 3.754 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)NCC[NH+]1CCCCC1 ZINC000328796713 854560045 /nfs/dbraw/zinc/56/00/45/854560045.db2.gz VBMIBYYTHUNNCW-ZBFHGGJFSA-N 1 0 393.915 3.679 20 30 GHEDRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)on1 ZINC000328893592 854599819 /nfs/dbraw/zinc/59/98/19/854599819.db2.gz ULZWAYMXHKQCTR-HXUWFJFHSA-N 1 0 398.507 3.707 20 30 GHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCS(=O)(=O)C2)[C@@H]2CCCC[C@H]12 ZINC000328922602 854622693 /nfs/dbraw/zinc/62/26/93/854622693.db2.gz UMCZRADEGDDRJZ-IPJCAIGPSA-N 1 0 398.613 3.835 20 30 GHEDRO CSc1cccc(N2C[C@H](C(=O)NC3CC([NH+]4CCCCC4)C3)CC2=O)c1 ZINC000330119130 862587818 /nfs/dbraw/zinc/58/78/18/862587818.db2.gz ZKFLMPIMBGARSV-KLHKWILBSA-N 1 0 387.549 3.735 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c(F)cc1C ZINC000330582593 854704814 /nfs/dbraw/zinc/70/48/14/854704814.db2.gz UVTWVOOVNIDSKW-HUUCEWRRSA-N 1 0 379.476 3.661 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC000589317351 854806887 /nfs/dbraw/zinc/80/68/87/854806887.db2.gz BJPRZGYQQFFNLL-AWEZNQCLSA-N 1 0 384.348 3.796 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000330140897 862609106 /nfs/dbraw/zinc/60/91/06/862609106.db2.gz XGLJDWMAKDLWBE-FQEVSTJZSA-N 1 0 386.540 3.759 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cn(C)nc2C(F)(F)F)C1 ZINC000331336738 854837104 /nfs/dbraw/zinc/83/71/04/854837104.db2.gz YSBOAXIPNSUJEG-GFCCVEGCSA-N 1 0 375.439 3.665 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000482020847 862615282 /nfs/dbraw/zinc/61/52/82/862615282.db2.gz QJPGSOVZHZUSLJ-XZOQPEGZSA-N 1 0 392.499 3.968 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000441447714 854914457 /nfs/dbraw/zinc/91/44/57/854914457.db2.gz JQMZRAGBESRIIX-QFIPXVFZSA-N 1 0 399.535 3.756 20 30 GHEDRO Cc1cc(NC(=O)c2ncc(C#N)cc2Cl)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482026815 862622584 /nfs/dbraw/zinc/62/25/84/862622584.db2.gz BCYGOLYNYOFLPA-UHFFFAOYSA-N 1 0 397.910 3.698 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)ccc1OC ZINC000186367134 854953915 /nfs/dbraw/zinc/95/39/15/854953915.db2.gz GQMQZGJISDBTNT-INIZCTEOSA-N 1 0 376.497 3.607 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@](C)(CCC)C1 ZINC000669335032 855024248 /nfs/dbraw/zinc/02/42/48/855024248.db2.gz ONHOAGVPSQWIFH-DXIQSLLYSA-N 1 0 387.572 3.797 20 30 GHEDRO O=C(Nc1nc(CN2CCCCC2)cs1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000330181479 862642056 /nfs/dbraw/zinc/64/20/56/862642056.db2.gz OCZIGLCCMXUWCX-OAHLLOKOSA-N 1 0 378.542 3.947 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000330184498 862643348 /nfs/dbraw/zinc/64/33/48/862643348.db2.gz INNNPGDOIAPRBO-LMNJBCLMSA-N 1 0 383.536 3.645 20 30 GHEDRO Cn1nccc1[C@H]1[C@H](CNc2nc3c(cc2C#N)CCCC3(C)C)CCC[N@@H+]1C ZINC000553608348 855138746 /nfs/dbraw/zinc/13/87/46/855138746.db2.gz VXXGORANLBIDBY-FXAWDEMLSA-N 1 0 392.551 3.796 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](c2cccc(F)c2)C1)C(C)C ZINC000589757551 855143160 /nfs/dbraw/zinc/14/31/60/855143160.db2.gz HLROITQSCLFNNH-SFTDATJTSA-N 1 0 389.515 3.607 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2O)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000669342685 855155878 /nfs/dbraw/zinc/15/58/78/855155878.db2.gz QCPITBYVWISAJK-UHFFFAOYSA-N 1 0 397.567 3.707 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]([NH+]3CCN(c4ccccc4C#N)CC3)CCO2)cc1 ZINC001168627779 855190585 /nfs/dbraw/zinc/19/05/85/855190585.db2.gz BVVZKKXYKGOSOO-NZQKXSOJSA-N 1 0 377.488 3.609 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1c(F)cc(C#N)cc1F ZINC000151414741 855221032 /nfs/dbraw/zinc/22/10/32/855221032.db2.gz RROWYEILWWWBQV-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330199167 862655643 /nfs/dbraw/zinc/65/56/43/862655643.db2.gz UZHBZGDZQYJHHQ-YPMHNXCESA-N 1 0 379.917 3.755 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1=O ZINC000473987500 855272860 /nfs/dbraw/zinc/27/28/60/855272860.db2.gz NZYJAIJRQHGZIO-RBUKOAKNSA-N 1 0 399.535 3.590 20 30 GHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091173075 855289954 /nfs/dbraw/zinc/28/99/54/855289954.db2.gz MLUYHTWWYFXDIP-LJQANCHMSA-N 1 0 376.504 3.756 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000590192819 855315586 /nfs/dbraw/zinc/31/55/86/855315586.db2.gz HDDDYNWRCBGHRY-LLVKDONJSA-N 1 0 376.229 3.749 20 30 GHEDRO N#CCN1CCC([NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000590243176 855329692 /nfs/dbraw/zinc/32/96/92/855329692.db2.gz MRTJFAIXTJWYCJ-SFHVURJKSA-N 1 0 392.272 3.848 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000459049673 855355701 /nfs/dbraw/zinc/35/57/01/855355701.db2.gz VTSGDPSHMWIBDK-MSOLQXFVSA-N 1 0 399.457 3.512 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000590532407 855486329 /nfs/dbraw/zinc/48/63/29/855486329.db2.gz WTNMIKHWDYPSCG-FQEVSTJZSA-N 1 0 379.529 3.731 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccc(Cl)cc1 ZINC000509615481 855522950 /nfs/dbraw/zinc/52/29/50/855522950.db2.gz GATGRFUTXPKNSL-SFHVURJKSA-N 1 0 397.972 3.726 20 30 GHEDRO Cn1cc([C@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CC23CCOCC3)cn1 ZINC000590755294 855564831 /nfs/dbraw/zinc/56/48/31/855564831.db2.gz UKDXASJINBFSIA-OAQYLSRUSA-N 1 0 378.520 3.617 20 30 GHEDRO NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000330249710 862694442 /nfs/dbraw/zinc/69/44/42/862694442.db2.gz GLAUMTHUHBFKJE-UHFFFAOYSA-N 1 0 398.507 3.536 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000134176232 855632822 /nfs/dbraw/zinc/63/28/22/855632822.db2.gz JZJFPQRWKZVJNT-JOCHJYFZSA-N 1 0 394.519 3.519 20 30 GHEDRO CC1CC(C#N)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC000590920215 855653391 /nfs/dbraw/zinc/65/33/91/855653391.db2.gz DYQHOVYRMNQHPC-ANCREPRPSA-N 1 0 391.490 3.850 20 30 GHEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)cc1 ZINC001168643679 855662922 /nfs/dbraw/zinc/66/29/22/855662922.db2.gz KAYOGFPUSNIWAO-HNNXBMFYSA-N 1 0 399.454 3.833 20 30 GHEDRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000590956125 855673125 /nfs/dbraw/zinc/67/31/25/855673125.db2.gz XTSKWXWKOPRTLI-UHFFFAOYSA-N 1 0 392.532 3.607 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CCN(Cc2cccc(O)c2)CC1 ZINC000301403501 855689096 /nfs/dbraw/zinc/68/90/96/855689096.db2.gz KEMVZEVTRLORAK-UHFFFAOYSA-N 1 0 378.863 3.788 20 30 GHEDRO C[N@H+](CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)Cc1ccc(F)cc1 ZINC000301541831 855713700 /nfs/dbraw/zinc/71/37/00/855713700.db2.gz OEABROWKNURSFB-UHFFFAOYSA-N 1 0 379.395 3.698 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000057846936 855763356 /nfs/dbraw/zinc/76/33/56/855763356.db2.gz JVPWEMDTJSEASS-KRWDZBQOSA-N 1 0 378.394 3.842 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCO[C@@H](c3ccc(OC)cc3)C1)CC2 ZINC001168645347 855776622 /nfs/dbraw/zinc/77/66/22/855776622.db2.gz SAGURHRTGMWSQR-PZJWPPBQSA-N 1 0 384.520 3.558 20 30 GHEDRO CCOc1ccc(C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000591150307 855798573 /nfs/dbraw/zinc/79/85/73/855798573.db2.gz YYLHCAYYRSDWME-LJQANCHMSA-N 1 0 393.531 3.726 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](Nc3ccc([N+](=O)[O-])cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000302018302 855801337 /nfs/dbraw/zinc/80/13/37/855801337.db2.gz CUUYQSBFKGQFNK-LEWJYISDSA-N 1 0 378.432 3.865 20 30 GHEDRO CC(C)[NH2+]C1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000108371999 855851529 /nfs/dbraw/zinc/85/15/29/855851529.db2.gz PHTPQSPCPNCISR-OAHLLOKOSA-N 1 0 388.581 3.678 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)c1 ZINC000591277152 855880233 /nfs/dbraw/zinc/88/02/33/855880233.db2.gz GWAJMFFSJZRSCZ-ZWKOTPCHSA-N 1 0 391.475 3.599 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591284918 855884222 /nfs/dbraw/zinc/88/42/22/855884222.db2.gz YHXFFYONZHZQAP-DENIHFKCSA-N 1 0 390.487 3.661 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000108531599 855928480 /nfs/dbraw/zinc/92/84/80/855928480.db2.gz HIEDLECVDOOFBN-INIZCTEOSA-N 1 0 381.505 3.687 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(n4cccn4)CC3)sc2C1 ZINC000109007468 856094698 /nfs/dbraw/zinc/09/46/98/856094698.db2.gz HHKSNIKIBSRSOH-OAHLLOKOSA-N 1 0 397.548 3.607 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cc1OC ZINC000109025569 856102807 /nfs/dbraw/zinc/10/28/07/856102807.db2.gz HNICAJXWEQAODR-MRXNPFEDSA-N 1 0 385.489 3.803 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cn1 ZINC000109027642 856103791 /nfs/dbraw/zinc/10/37/91/856103791.db2.gz ALWBXKVQFVLIMB-UHFFFAOYSA-N 1 0 390.447 3.753 20 30 GHEDRO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CC=CCC1 ZINC000485136729 856149682 /nfs/dbraw/zinc/14/96/82/856149682.db2.gz UAMVNTCRYMYHGI-GOSISDBHSA-N 1 0 389.927 3.891 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000554840768 856230501 /nfs/dbraw/zinc/23/05/01/856230501.db2.gz DSYNLMQLBHNGGN-UONOGXRCSA-N 1 0 391.393 3.985 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 ZINC000171721418 856242080 /nfs/dbraw/zinc/24/20/80/856242080.db2.gz NJOWIBWLEWDQTH-UHFFFAOYSA-N 1 0 376.460 3.513 20 30 GHEDRO CC(C)[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000109405470 856296095 /nfs/dbraw/zinc/29/60/95/856296095.db2.gz LPFVQRGHXRZFPQ-UHFFFAOYSA-N 1 0 387.430 3.686 20 30 GHEDRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCCCCC#N ZINC000591808570 856346316 /nfs/dbraw/zinc/34/63/16/856346316.db2.gz PKBVWDNKMFQEAU-UHFFFAOYSA-N 1 0 395.345 3.859 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000172395030 856420862 /nfs/dbraw/zinc/42/08/62/856420862.db2.gz ZKYRHECWQJYJIO-OAHLLOKOSA-N 1 0 377.444 3.699 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000624842654 856459148 /nfs/dbraw/zinc/45/91/48/856459148.db2.gz XPUQWLNFILRQAG-CTAFRAEOSA-N 1 0 395.551 3.803 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000172586560 856489757 /nfs/dbraw/zinc/48/97/57/856489757.db2.gz JPLWPALNTWJHJW-GOSISDBHSA-N 1 0 379.435 3.621 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000895131572 856512756 /nfs/dbraw/zinc/51/27/56/856512756.db2.gz JCQRRQZDQJHCAO-RXVVDRJESA-N 1 0 376.504 3.747 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793521 856588315 /nfs/dbraw/zinc/58/83/15/856588315.db2.gz DBZJQISPQPNXCN-UHFFFAOYSA-N 1 0 394.544 3.813 20 30 GHEDRO CC[C@H](Oc1ccccc1C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000427740000 856681511 /nfs/dbraw/zinc/68/15/11/856681511.db2.gz GSMRNZWMBHXATD-NRFANRHFSA-N 1 0 379.504 3.615 20 30 GHEDRO C[C@@H]1CN(Cc2csc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)n2)C[C@@H](C)O1 ZINC000330308224 862823688 /nfs/dbraw/zinc/82/36/88/862823688.db2.gz SQCLDINQTZRQLT-INMHGKMJSA-N 1 0 380.558 3.605 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183538 856683488 /nfs/dbraw/zinc/68/34/88/856683488.db2.gz JQIKNVPISBEVOM-IRXDYDNUSA-N 1 0 387.549 3.768 20 30 GHEDRO COc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000047793732 862830119 /nfs/dbraw/zinc/83/01/19/862830119.db2.gz CKPABZIIEYWCLV-QFIPXVFZSA-N 1 0 392.503 3.593 20 30 GHEDRO C[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000465886505 856769832 /nfs/dbraw/zinc/76/98/32/856769832.db2.gz JKTGTCMPDBEMLS-PTUXOGIPSA-N 1 0 390.531 3.988 20 30 GHEDRO N#Cc1cc(Cl)cc(Br)c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000429211101 862846991 /nfs/dbraw/zinc/84/69/91/862846991.db2.gz CTFQPTARAPBSKJ-CYBMUJFWSA-N 1 0 398.732 3.523 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000245445142 856861483 /nfs/dbraw/zinc/86/14/83/856861483.db2.gz KCIZBGCLRMILDH-AEFFLSMTSA-N 1 0 394.519 3.692 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2)c1C#N ZINC000007423998 856914403 /nfs/dbraw/zinc/91/44/03/856914403.db2.gz RGSNJHJRINWTKU-INIZCTEOSA-N 1 0 376.460 3.907 20 30 GHEDRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592522795 856919155 /nfs/dbraw/zinc/91/91/55/856919155.db2.gz FODTYXYVZIEPLZ-DEOSSOPVSA-N 1 0 386.499 3.952 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 ZINC000592523542 856919294 /nfs/dbraw/zinc/91/92/94/856919294.db2.gz NYEWDJQVUVVMFF-OAQYLSRUSA-N 1 0 377.488 3.507 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000508144804 856989786 /nfs/dbraw/zinc/98/97/86/856989786.db2.gz FBWKWGHUEDQOPS-IBGZPJMESA-N 1 0 398.551 3.623 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000330313197 862860291 /nfs/dbraw/zinc/86/02/91/862860291.db2.gz WZEBQPWDGSSSPA-GOSISDBHSA-N 1 0 388.508 3.685 20 30 GHEDRO CCc1nccn1[C@H](C)CC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000592764196 857078878 /nfs/dbraw/zinc/07/88/78/857078878.db2.gz WJGFOBFXAQTRPK-DOMZBBRYSA-N 1 0 375.270 3.540 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000112236025 857111911 /nfs/dbraw/zinc/11/19/11/857111911.db2.gz WJNVAZDFFROZNZ-UHFFFAOYSA-N 1 0 396.541 3.947 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[NH+]2CCCC2)o1 ZINC000888411355 857131694 /nfs/dbraw/zinc/13/16/94/857131694.db2.gz WGZXSVIOEQMHJB-NSHDSACASA-N 1 0 379.873 3.528 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1cc(F)cc(Br)c1 ZINC000485839634 857134594 /nfs/dbraw/zinc/13/45/94/857134594.db2.gz BWBHDHHYJXNBIB-MLGOLLRUSA-N 1 0 384.293 3.637 20 30 GHEDRO C=CCn1c(-c2cn[nH]c2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000624850086 857200830 /nfs/dbraw/zinc/20/08/30/857200830.db2.gz USCDMFFHFOPMCK-PXNSSMCTSA-N 1 0 391.523 3.516 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000574133960 857256390 /nfs/dbraw/zinc/25/63/90/857256390.db2.gz JHYYPDBAWARJCH-UHFFFAOYSA-N 1 0 399.878 3.702 20 30 GHEDRO CCn1cc(C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C(C)C)cn1 ZINC000593082571 857316481 /nfs/dbraw/zinc/31/64/81/857316481.db2.gz WTTPHCZAGFPZMC-UHFFFAOYSA-N 1 0 385.537 3.564 20 30 GHEDRO C[C@H](C#N)CN(C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000441913344 857353066 /nfs/dbraw/zinc/35/30/66/857353066.db2.gz XNZAJPKUVSKTRR-QGZVFWFLSA-N 1 0 396.535 3.540 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000486074299 857409897 /nfs/dbraw/zinc/40/98/97/857409897.db2.gz NSPATXJNZWFRRM-OAQYLSRUSA-N 1 0 379.529 3.912 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000175120727 857444012 /nfs/dbraw/zinc/44/40/12/857444012.db2.gz KBAGQLFOZUCYFF-KRWDZBQOSA-N 1 0 394.494 3.929 20 30 GHEDRO N#CC1(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCCC1 ZINC000593337958 857539611 /nfs/dbraw/zinc/53/96/11/857539611.db2.gz DFDZEZSMMUMRHZ-UHFFFAOYSA-N 1 0 388.943 3.935 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000672660083 857554866 /nfs/dbraw/zinc/55/48/66/857554866.db2.gz ABFIMLGTOKJNCA-UHFFFAOYSA-N 1 0 376.504 3.821 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000281271503 862926953 /nfs/dbraw/zinc/92/69/53/862926953.db2.gz RGZLWHYQZLOHTP-UHFFFAOYSA-N 1 0 377.488 3.697 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181588218 862931396 /nfs/dbraw/zinc/93/13/96/862931396.db2.gz UNDLWCGOIQMXQV-IRLDBZIGSA-N 1 0 385.458 3.893 20 30 GHEDRO C=C(CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000672681095 857581950 /nfs/dbraw/zinc/58/19/50/857581950.db2.gz AOMNPCAYXHAKEP-OAQYLSRUSA-N 1 0 379.504 3.845 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(Br)cc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC001128299153 857608595 /nfs/dbraw/zinc/60/85/95/857608595.db2.gz IDFZOJWEKSPGCY-ACJLOTCBSA-N 1 0 386.293 3.742 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000593560054 857626034 /nfs/dbraw/zinc/62/60/34/857626034.db2.gz RAIGSDLTDCPELH-UHFFFAOYSA-N 1 0 391.581 3.524 20 30 GHEDRO CC[C@@H](C#N)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000593723015 857667251 /nfs/dbraw/zinc/66/72/51/857667251.db2.gz WXPYVEQMOHKHTR-FCHUYYIVSA-N 1 0 376.504 3.625 20 30 GHEDRO CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000521156488 857677699 /nfs/dbraw/zinc/67/76/99/857677699.db2.gz QTJMJNQUZYAZTO-HXUWFJFHSA-N 1 0 379.435 3.656 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)CC1 ZINC000521240216 857782765 /nfs/dbraw/zinc/78/27/65/857782765.db2.gz KMQWWRVKZYDOHU-UHFFFAOYSA-N 1 0 383.536 3.558 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 ZINC000521348395 857909048 /nfs/dbraw/zinc/90/90/48/857909048.db2.gz LKEMTMBFWKKIEA-IRXDYDNUSA-N 1 0 388.870 3.798 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000066187084 857994828 /nfs/dbraw/zinc/99/48/28/857994828.db2.gz AUZYMKOOKSVUQM-OAQYLSRUSA-N 1 0 382.483 3.920 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Br)s1 ZINC000442728492 858074912 /nfs/dbraw/zinc/07/49/12/858074912.db2.gz JHGYPMHFKWBFOR-NEPJUHHUSA-N 1 0 384.343 3.892 20 30 GHEDRO CC1(C)CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000330337033 862983256 /nfs/dbraw/zinc/98/32/56/862983256.db2.gz ZTFDEIJFUMMNBJ-PWRODBHTSA-N 1 0 385.552 3.681 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000574647288 858104455 /nfs/dbraw/zinc/10/44/55/858104455.db2.gz QGVLEYUKUGHOGR-DLBZAZTESA-N 1 0 391.475 3.599 20 30 GHEDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000574755409 858161294 /nfs/dbraw/zinc/16/12/94/858161294.db2.gz MFPUBJUTWXARJF-DLBZAZTESA-N 1 0 392.381 3.935 20 30 GHEDRO COc1ccccc1[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594433216 858176596 /nfs/dbraw/zinc/17/65/96/858176596.db2.gz MIEAXIBUHKDEHH-QUCCMNQESA-N 1 0 385.895 3.965 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC000594439228 858178369 /nfs/dbraw/zinc/17/83/69/858178369.db2.gz OSVCKDHSJKXVFD-MRXNPFEDSA-N 1 0 397.500 3.959 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000594457195 858181470 /nfs/dbraw/zinc/18/14/70/858181470.db2.gz VTWFYIYFCFIREA-ROUUACIJSA-N 1 0 381.480 3.592 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@H]3CC[C@@H](C#N)C3)c2)cc1 ZINC000442863102 858182867 /nfs/dbraw/zinc/18/28/67/858182867.db2.gz CESBVPOLWFONTP-AEFFLSMTSA-N 1 0 379.460 3.608 20 30 GHEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)n(-c2ccccc2C(F)(F)F)n1 ZINC000594425417 858185504 /nfs/dbraw/zinc/18/55/04/858185504.db2.gz IRUFLPZTVZWUIQ-CQSZACIVSA-N 1 0 379.386 3.549 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000114724531 858189989 /nfs/dbraw/zinc/18/99/89/858189989.db2.gz CTRBVFPDTQMRTL-LJQANCHMSA-N 1 0 379.460 3.741 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000594497119 858192104 /nfs/dbraw/zinc/19/21/04/858192104.db2.gz BYBBLQSXCVPPBL-JOCHJYFZSA-N 1 0 375.516 3.811 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000594496875 858192430 /nfs/dbraw/zinc/19/24/30/858192430.db2.gz YDHKHVAERFFVGQ-JOCHJYFZSA-N 1 0 381.495 3.790 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000466099297 858220890 /nfs/dbraw/zinc/22/08/90/858220890.db2.gz IZIGCDZDYMKOFC-UHFFFAOYSA-N 1 0 398.429 3.743 20 30 GHEDRO CCCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000592829789 858296290 /nfs/dbraw/zinc/29/62/90/858296290.db2.gz ZASXWRCEQDPGGW-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594917078 858303914 /nfs/dbraw/zinc/30/39/14/858303914.db2.gz GXJSYSGFWXVWIU-UHFFFAOYSA-N 1 0 397.544 3.560 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000594969656 858334179 /nfs/dbraw/zinc/33/41/79/858334179.db2.gz YDOKTGXFXXAADG-GOSISDBHSA-N 1 0 392.425 3.938 20 30 GHEDRO C=C(Br)COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733530399 863011586 /nfs/dbraw/zinc/01/15/86/863011586.db2.gz IZYCJQXBWUPFAV-HNNXBMFYSA-N 1 0 392.215 3.893 20 30 GHEDRO C=CCC[NH2+][C@@H](c1nccn1CC)c1ccc(I)cc1 ZINC000595059462 858366380 /nfs/dbraw/zinc/36/63/80/858366380.db2.gz OYPCLHUYRVBYJB-OAHLLOKOSA-N 1 0 381.261 3.763 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)s2)CC1 ZINC000443112694 858378974 /nfs/dbraw/zinc/37/89/74/858378974.db2.gz WRFCLRONOUFIFM-GFCCVEGCSA-N 1 0 386.359 3.911 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)cc1Cl ZINC000595227678 858445596 /nfs/dbraw/zinc/44/55/96/858445596.db2.gz KPKNVGSZTMESGA-TUVDCLKLSA-N 1 0 380.879 3.950 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 ZINC000595358522 858517394 /nfs/dbraw/zinc/51/73/94/858517394.db2.gz DJZWTNBMNZFKDL-UHFFFAOYSA-N 1 0 383.879 3.810 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](CC#N)C3)cc2)C1 ZINC000595458494 858537662 /nfs/dbraw/zinc/53/76/62/858537662.db2.gz RYOKQKQZQAJJKF-SBHAEUEKSA-N 1 0 382.552 4.000 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000575219812 858608060 /nfs/dbraw/zinc/60/80/60/858608060.db2.gz LRKQWJVBJCRKIE-QUCCMNQESA-N 1 0 390.535 3.949 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000595640240 858618336 /nfs/dbraw/zinc/61/83/36/858618336.db2.gz QMYHSFOMJZDIAL-UHFFFAOYSA-N 1 0 377.366 3.920 20 30 GHEDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000925123085 858633961 /nfs/dbraw/zinc/63/39/61/858633961.db2.gz JWBLRIKXCBELFC-DOTOQJQBSA-N 1 0 391.512 3.531 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1 ZINC000595672317 858643359 /nfs/dbraw/zinc/64/33/59/858643359.db2.gz ZJYZWJDMYNPOQY-NRFANRHFSA-N 1 0 383.879 3.532 20 30 GHEDRO C[C@@]12COC[C@]1(C)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000595691109 858648838 /nfs/dbraw/zinc/64/88/38/858648838.db2.gz ZBLKOMKMLNQPEV-OYRHEFFESA-N 1 0 387.549 3.576 20 30 GHEDRO COc1ccc([C@H](CNc2ccc(C(F)(F)F)c(C#N)n2)[NH+]2CCCC2)cc1 ZINC000443412512 858656222 /nfs/dbraw/zinc/65/62/22/858656222.db2.gz WILCCFSYLSSAFY-SFHVURJKSA-N 1 0 390.409 3.652 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593122954 858683137 /nfs/dbraw/zinc/68/31/37/858683137.db2.gz CSOUEYGLDSSOLU-FKBYEOEOSA-N 1 0 375.472 3.881 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC([C@@H]3CCCCO3)CC1)CCC2 ZINC000595785413 858686882 /nfs/dbraw/zinc/68/68/82/858686882.db2.gz FHJOILQERLSRON-SFHVURJKSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]3CCCCO3)C1)CCC2 ZINC000595789318 858687930 /nfs/dbraw/zinc/68/79/30/858687930.db2.gz LXIXUVSFKPRGJR-MAUKXSAKSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]3CCCCO3)C1)CCC2 ZINC000595789321 858688185 /nfs/dbraw/zinc/68/81/85/858688185.db2.gz LXIXUVSFKPRGJR-QAPCUYQASA-N 1 0 387.549 3.718 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508823924 858692298 /nfs/dbraw/zinc/69/22/98/858692298.db2.gz ANYICLBGBQSVMV-RXVVDRJESA-N 1 0 395.526 3.647 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)sc2c1CCCC2 ZINC000595904767 858713079 /nfs/dbraw/zinc/71/30/79/858713079.db2.gz KOANUWVZUOHOKK-SZPZYZBQSA-N 1 0 399.560 3.720 20 30 GHEDRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000595971075 858736233 /nfs/dbraw/zinc/73/62/33/858736233.db2.gz PDPWUWIWSFDNKB-IEBWSBKVSA-N 1 0 397.441 3.920 20 30 GHEDRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000595971073 858736378 /nfs/dbraw/zinc/73/63/78/858736378.db2.gz PDPWUWIWSFDNKB-HKUYNNGSSA-N 1 0 397.441 3.920 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@@H]2CC=CCC2)c1C#N ZINC000543172602 858743508 /nfs/dbraw/zinc/74/35/08/858743508.db2.gz RSALWMVVXMJBON-GOSISDBHSA-N 1 0 380.492 3.845 20 30 GHEDRO C[C@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000596153872 858795190 /nfs/dbraw/zinc/79/51/90/858795190.db2.gz XRGXXEVKGFUBSJ-QGZVFWFLSA-N 1 0 376.504 3.539 20 30 GHEDRO CN1C(=O)c2cc(Cl)ccc2NC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000067963687 858804401 /nfs/dbraw/zinc/80/44/01/858804401.db2.gz BIBWOKPYBOMBKE-UHFFFAOYSA-N 1 0 380.879 3.701 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC001212116217 881345998 /nfs/dbraw/zinc/34/59/98/881345998.db2.gz ANUCISHTHDJQNK-UHFFFAOYSA-N 1 0 378.563 3.619 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC(C)(C)c2cccc(C#N)c2)CC1 ZINC000596503910 858916501 /nfs/dbraw/zinc/91/65/01/858916501.db2.gz FYCZNYJYICVPIX-KRWDZBQOSA-N 1 0 391.519 3.713 20 30 GHEDRO C[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO[C@H]1C1CC1 ZINC000543239475 859002766 /nfs/dbraw/zinc/00/27/66/859002766.db2.gz OHGHTSQIHMBWAW-FPOVZHCZSA-N 1 0 387.549 3.764 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@]34CCCC[C@H]3C4(F)F)CC2)cc1 ZINC000596692626 859008814 /nfs/dbraw/zinc/00/88/14/859008814.db2.gz CNLVJGQBDAJQAC-TZIWHRDSSA-N 1 0 387.474 3.808 20 30 GHEDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000625857472 859031086 /nfs/dbraw/zinc/03/10/86/859031086.db2.gz NJPGBEYSUIRBHS-WPRPVWTQSA-N 1 0 387.299 3.836 20 30 GHEDRO C=CCCSCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000596722307 859053204 /nfs/dbraw/zinc/05/32/04/859053204.db2.gz TXFNKXYUUZOZBJ-AZUAARDMSA-N 1 0 375.582 3.990 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)CC3(C#N)CCCCC3)cc2)C[C@H](C)O1 ZINC000596788870 859076541 /nfs/dbraw/zinc/07/65/41/859076541.db2.gz KBBGPUXHZKTEBT-OALUTQOASA-N 1 0 383.536 3.776 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000596797446 859081293 /nfs/dbraw/zinc/08/12/93/859081293.db2.gz SUCYQCSUAVIOSW-GOSISDBHSA-N 1 0 382.895 3.992 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483101246 859137722 /nfs/dbraw/zinc/13/77/22/859137722.db2.gz IGGVUTXJEWLRSC-PKOBYXMFSA-N 1 0 395.478 3.959 20 30 GHEDRO N#CC1(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCC1 ZINC000596857560 859139792 /nfs/dbraw/zinc/13/97/92/859139792.db2.gz PECPJQQZOFANGA-QHCPKHFHSA-N 1 0 380.536 3.768 20 30 GHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cccc21 ZINC000509363588 859179545 /nfs/dbraw/zinc/17/95/45/859179545.db2.gz BGOCDVAOUZMZQL-OAHLLOKOSA-N 1 0 390.365 3.610 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596955010 859193473 /nfs/dbraw/zinc/19/34/73/859193473.db2.gz ONFJBDDICZEHJC-NRFANRHFSA-N 1 0 394.475 3.567 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429386552 859219267 /nfs/dbraw/zinc/21/92/67/859219267.db2.gz QBNOHSHNVAANJZ-IEBWSBKVSA-N 1 0 392.341 3.717 20 30 GHEDRO N#CC1(c2ccc(CN3CCO[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]43)cc2)CC1 ZINC000597158586 859321930 /nfs/dbraw/zinc/32/19/30/859321930.db2.gz RDPJOBMLAYOSFH-RPWUZVMVSA-N 1 0 387.527 3.717 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)CC(C)(C)O ZINC000474154879 859346313 /nfs/dbraw/zinc/34/63/13/859346313.db2.gz AJJBWBKWFOVLLK-UHFFFAOYSA-N 1 0 388.556 3.903 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000138932092 859357946 /nfs/dbraw/zinc/35/79/46/859357946.db2.gz PXULMDJVDDZBHG-QGZVFWFLSA-N 1 0 395.528 3.822 20 30 GHEDRO CC1(C)C[NH2+]CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000601567080 859359225 /nfs/dbraw/zinc/35/92/25/859359225.db2.gz PYEXXJMDNQUITL-INIZCTEOSA-N 1 0 379.464 3.645 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@@H]3CCCCc4cc(Br)ccc43)cnc12 ZINC000597235516 859368570 /nfs/dbraw/zinc/36/85/70/859368570.db2.gz IUTHUPQIMSXHJW-GOSISDBHSA-N 1 0 396.292 3.921 20 30 GHEDRO CC(C)[C@H](O)[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000597225942 859377637 /nfs/dbraw/zinc/37/76/37/859377637.db2.gz HQZCDXBYFHDGPH-PKTZIBPZSA-N 1 0 389.503 3.707 20 30 GHEDRO COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000601622021 859383729 /nfs/dbraw/zinc/38/37/29/859383729.db2.gz QUMKYLFUVABXNS-NRFANRHFSA-N 1 0 381.476 3.671 20 30 GHEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001127748868 859391286 /nfs/dbraw/zinc/39/12/86/859391286.db2.gz JHBSQNPPOTYNJS-UHFFFAOYSA-N 1 0 377.448 3.759 20 30 GHEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000509426849 859401046 /nfs/dbraw/zinc/40/10/46/859401046.db2.gz VOKLTIPILUEYOQ-HXUWFJFHSA-N 1 0 391.450 3.784 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2CCN(c3ncccn3)CC2)CC1 ZINC001170371760 881419496 /nfs/dbraw/zinc/41/94/96/881419496.db2.gz KXFUHQDNWPOMJF-UHFFFAOYSA-N 1 0 375.520 3.687 20 30 GHEDRO COc1cc(C[NH2+]CC2CCC(C#N)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000282347967 859449005 /nfs/dbraw/zinc/44/90/05/859449005.db2.gz PEFJRAIPDMCTHV-UHFFFAOYSA-N 1 0 383.395 3.667 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCc4ccc(F)cc43)CC2)c1 ZINC000593338042 859462845 /nfs/dbraw/zinc/46/28/45/859462845.db2.gz GMWGFUQOTCRODG-QFIPXVFZSA-N 1 0 392.478 3.648 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 ZINC000601745444 859519850 /nfs/dbraw/zinc/51/98/50/859519850.db2.gz WPAICOUPZFWGPV-UHFFFAOYSA-N 1 0 391.519 3.533 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1 ZINC000593350325 859523667 /nfs/dbraw/zinc/52/36/67/859523667.db2.gz WSFVPSPEXXSPBW-UHFFFAOYSA-N 1 0 376.504 3.645 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000922303341 859524740 /nfs/dbraw/zinc/52/47/40/859524740.db2.gz CFOMNOFHBGKELP-FXAWDEMLSA-N 1 0 398.551 3.810 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3coc4ccc(F)cc34)CC2)c1 ZINC000593350569 859524820 /nfs/dbraw/zinc/52/48/20/859524820.db2.gz YFQQEHXAGPYPHC-UHFFFAOYSA-N 1 0 377.419 3.838 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1CC1 ZINC000597424274 859527843 /nfs/dbraw/zinc/52/78/43/859527843.db2.gz HHARFHHBGHDZDF-GOSISDBHSA-N 1 0 392.551 3.786 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCSc3ccccc3)CC2)c1 ZINC000593353559 859547948 /nfs/dbraw/zinc/54/79/48/859547948.db2.gz SWURROLDXYEKMW-UHFFFAOYSA-N 1 0 379.529 3.821 20 30 GHEDRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593353443 859548189 /nfs/dbraw/zinc/54/81/89/859548189.db2.gz RUGYSXHDEMKDHF-INIZCTEOSA-N 1 0 397.906 3.760 20 30 GHEDRO CCCc1nc(C)c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593353920 859549934 /nfs/dbraw/zinc/54/99/34/859549934.db2.gz HEQZCWAZMVIFAE-UHFFFAOYSA-N 1 0 382.533 3.670 20 30 GHEDRO CN1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440226 859551944 /nfs/dbraw/zinc/55/19/44/859551944.db2.gz DWGRYEVRSHXWLG-ROUUACIJSA-N 1 0 393.796 3.804 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2CCN(c3cnccn3)CC2)CC1 ZINC001170371918 881435512 /nfs/dbraw/zinc/43/55/12/881435512.db2.gz NTNJXZSBDZXQST-UHFFFAOYSA-N 1 0 375.520 3.687 20 30 GHEDRO C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593354761 859557056 /nfs/dbraw/zinc/55/70/56/859557056.db2.gz LETDOBSLHZMVNB-MRXNPFEDSA-N 1 0 397.906 3.760 20 30 GHEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000025302161 859559119 /nfs/dbraw/zinc/55/91/19/859559119.db2.gz NNHNTYOEIMCLMS-OFNKIYASSA-N 1 0 380.488 3.924 20 30 GHEDRO C#CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000764725068 859582412 /nfs/dbraw/zinc/58/24/12/859582412.db2.gz JZJTYOCHIKSNPA-QFBILLFUSA-N 1 0 393.453 3.896 20 30 GHEDRO C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(C#N)cc1 ZINC000483748351 859588468 /nfs/dbraw/zinc/58/84/68/859588468.db2.gz UJJAZOIDEJTDPD-QGZVFWFLSA-N 1 0 386.565 3.670 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1C#N ZINC000611110072 859613946 /nfs/dbraw/zinc/61/39/46/859613946.db2.gz ZWOYYMCRAWQUQN-LJQANCHMSA-N 1 0 398.551 3.779 20 30 GHEDRO N#CCCN(CCC#N)C(=O)CN1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000474225269 859629575 /nfs/dbraw/zinc/62/95/75/859629575.db2.gz IVLALUDXRMQVHG-UHFFFAOYSA-N 1 0 392.425 3.541 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCCN(Cc4ccccc4)C3)CC2)nc1 ZINC000543414640 859629635 /nfs/dbraw/zinc/62/96/35/859629635.db2.gz JHBCBESIPBSWEA-KOENEWCDSA-N 1 0 390.531 3.897 20 30 GHEDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2=O)ccc1Br ZINC000185189266 859672946 /nfs/dbraw/zinc/67/29/46/859672946.db2.gz JLNHPBPKEOEXFQ-MRXNPFEDSA-N 1 0 390.306 3.586 20 30 GHEDRO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nc1C ZINC000895583630 859679248 /nfs/dbraw/zinc/67/92/48/859679248.db2.gz MISTWGWZLYHRKA-PBHICJAKSA-N 1 0 399.516 3.909 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000765011942 859727351 /nfs/dbraw/zinc/72/73/51/859727351.db2.gz FGZVVIYNERWBOT-ZDUSSCGKSA-N 1 0 377.366 3.964 20 30 GHEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000611387894 859733340 /nfs/dbraw/zinc/73/33/40/859733340.db2.gz HNSVYZNUKIVYKA-OXJNMPFZSA-N 1 0 393.487 3.590 20 30 GHEDRO C[N@H+](CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000484024209 859770956 /nfs/dbraw/zinc/77/09/56/859770956.db2.gz ILNMAZJTMNLXQH-VXKWHMMOSA-N 1 0 394.494 3.739 20 30 GHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000611500745 859787538 /nfs/dbraw/zinc/78/75/38/859787538.db2.gz VHJLMHBHKOQRRB-UHFFFAOYSA-N 1 0 384.439 3.708 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466526974 859867586 /nfs/dbraw/zinc/86/75/86/859867586.db2.gz LEEBMWFIOOGHTH-LPHOPBHVSA-N 1 0 378.476 3.741 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597855442 859872960 /nfs/dbraw/zinc/87/29/60/859872960.db2.gz QPHQJUBEMPVIBA-SFHVURJKSA-N 1 0 391.515 3.987 20 30 GHEDRO Cc1c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1CCC#N ZINC000895746781 859893747 /nfs/dbraw/zinc/89/37/47/859893747.db2.gz CRKBOYRSNPRGGS-QZTJIDSGSA-N 1 0 393.535 3.513 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000091792326 859933898 /nfs/dbraw/zinc/93/38/98/859933898.db2.gz AXSBFRVIINAPAW-UHFFFAOYSA-N 1 0 393.441 3.939 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c1 ZINC001168541110 859981946 /nfs/dbraw/zinc/98/19/46/859981946.db2.gz GCXGIVWGPVMZBH-UQIDSAAFSA-N 1 0 395.890 3.956 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000727241515 860010674 /nfs/dbraw/zinc/01/06/74/860010674.db2.gz XLYHABGXOOKICZ-FGZHOGPDSA-N 1 0 399.510 3.852 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1OC1CCCC1 ZINC000123615815 860016689 /nfs/dbraw/zinc/01/66/89/860016689.db2.gz CDBKMSGDUIIJRK-UHFFFAOYSA-N 1 0 376.460 3.826 20 30 GHEDRO C[C@H](CN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593511112 860069849 /nfs/dbraw/zinc/06/98/49/860069849.db2.gz GXMGGRGERLAJEG-LJQANCHMSA-N 1 0 390.531 3.968 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000602566844 860118685 /nfs/dbraw/zinc/11/86/85/860118685.db2.gz BZPHMIBIQBQNBW-DOTOQJQBSA-N 1 0 384.442 3.545 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c(-c2ccccc2)n1 ZINC000922529872 860138029 /nfs/dbraw/zinc/13/80/29/860138029.db2.gz NALRTXYIHMQYLY-HCGLCNNCSA-N 1 0 386.499 3.646 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no1)C2 ZINC000904116024 860144426 /nfs/dbraw/zinc/14/44/26/860144426.db2.gz GAMHTSZIJHXPGW-AYOMXYJGSA-N 1 0 380.345 3.754 20 30 GHEDRO Cc1cc(C)c(C)c(OCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000499911306 860166810 /nfs/dbraw/zinc/16/68/10/860166810.db2.gz DUIYDSUHKJQYQA-UHFFFAOYSA-N 1 0 393.531 3.843 20 30 GHEDRO COC(=O)c1csc(-c2cccc(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)c2)n1 ZINC000602632845 860185992 /nfs/dbraw/zinc/18/59/92/860185992.db2.gz JYPNKDONKBYKHG-HNNXBMFYSA-N 1 0 399.516 3.785 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2Oc2cccc(C)c2)c(C#N)c1C ZINC000484644403 860214557 /nfs/dbraw/zinc/21/45/57/860214557.db2.gz DZTMSHQDXCRWJL-VQTJNVASSA-N 1 0 381.476 3.995 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)CC1 ZINC000328772806 860230718 /nfs/dbraw/zinc/23/07/18/860230718.db2.gz BGTFDJHXFJWXLF-FQEVSTJZSA-N 1 0 390.487 3.549 20 30 GHEDRO COc1ccc(C(C)=NNCCOCC(F)(F)F)cc1C[NH+]1CCCCC1 ZINC000765599994 860301559 /nfs/dbraw/zinc/30/15/59/860301559.db2.gz PMCPFRVETWRKAH-UHFFFAOYSA-N 1 0 387.446 3.574 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508965053 860311934 /nfs/dbraw/zinc/31/19/34/860311934.db2.gz WAMHKZXSXWUTAX-UHFFFAOYSA-N 1 0 398.514 3.935 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000904330775 860345772 /nfs/dbraw/zinc/34/57/72/860345772.db2.gz CDPHZBSNAXOREP-CVDCTZTESA-N 1 0 390.487 3.791 20 30 GHEDRO COc1ccnc(O[C@H]2CCC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)n1 ZINC001170398648 881533210 /nfs/dbraw/zinc/53/32/10/881533210.db2.gz RRVHHAIJLIWOCL-KQVJYAISSA-N 1 0 392.503 3.733 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001170371985 881532798 /nfs/dbraw/zinc/53/27/98/881532798.db2.gz RCMRZBOLKGFWJJ-UHFFFAOYSA-N 1 0 388.515 3.680 20 30 GHEDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC001170398970 881532820 /nfs/dbraw/zinc/53/28/20/881532820.db2.gz GNZJEDGYTUENTN-PNHOKKKMSA-N 1 0 386.540 3.679 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000598588779 860435157 /nfs/dbraw/zinc/43/51/57/860435157.db2.gz LDBUGLPEFRNWBU-SFHVURJKSA-N 1 0 383.458 3.514 20 30 GHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598597274 860439041 /nfs/dbraw/zinc/43/90/41/860439041.db2.gz QATVUYOHTTUKMU-LJQANCHMSA-N 1 0 397.485 3.902 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=S)NCCSc2ccc(Cl)cc2)CC1 ZINC000729943010 860469389 /nfs/dbraw/zinc/46/93/89/860469389.db2.gz XCEUIYJQAJBPSQ-UHFFFAOYSA-N 1 0 384.014 3.937 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000465609669 860474675 /nfs/dbraw/zinc/47/46/75/860474675.db2.gz VVBKTOGYRMXCPC-FCHUYYIVSA-N 1 0 382.552 3.980 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000465609673 860474785 /nfs/dbraw/zinc/47/47/85/860474785.db2.gz VVBKTOGYRMXCPC-VXKWHMMOSA-N 1 0 382.552 3.980 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(c3cc(C#N)c4ccccc4n3)CC2)C[C@H](C)O1 ZINC000330243428 860489166 /nfs/dbraw/zinc/48/91/66/860489166.db2.gz WUUTYAYFEHXJKA-ROUUACIJSA-N 1 0 378.520 3.822 20 30 GHEDRO N#Cc1cc(F)c(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(F)c1 ZINC000155448218 860514682 /nfs/dbraw/zinc/51/46/82/860514682.db2.gz PSQLEUWNOFABIX-UHFFFAOYSA-N 1 0 385.414 3.953 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)ccc1OC ZINC000116350105 860533994 /nfs/dbraw/zinc/53/39/94/860533994.db2.gz GJIANEASJPTAIQ-IBGZPJMESA-N 1 0 380.488 3.825 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)cc1 ZINC000922746792 860541103 /nfs/dbraw/zinc/54/11/03/860541103.db2.gz UMABQNGQRCXDCH-HXUWFJFHSA-N 1 0 393.531 3.748 20 30 GHEDRO CCc1cccc2c(C3CC[NH+](CC(=O)N[C@@](C)(C#N)C4CC4)CC3)c[nH]c21 ZINC000125009309 860554091 /nfs/dbraw/zinc/55/40/91/860554091.db2.gz UBPFCQLUQGAOBX-QHCPKHFHSA-N 1 0 378.520 3.718 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C)C1 ZINC000331279226 860574221 /nfs/dbraw/zinc/57/42/21/860574221.db2.gz SRDDEFUHNSZJDV-DOMZBBRYSA-N 1 0 384.402 3.651 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624981506 860606742 /nfs/dbraw/zinc/60/67/42/860606742.db2.gz DQYYZKMRLUUXMK-HMXCVIKNSA-N 1 0 395.551 3.805 20 30 GHEDRO CCOC[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)Cc2cn(C)nc21 ZINC001170383772 881559414 /nfs/dbraw/zinc/55/94/14/881559414.db2.gz PGQDLUJJTVCKRS-YGWXTMFKSA-N 1 0 378.520 3.760 20 30 GHEDRO N#CC1(c2ccccc2)CCC(n2nc(COCC3CC3)c3c2C[NH2+]C3)CC1 ZINC001170384101 881560839 /nfs/dbraw/zinc/56/08/39/881560839.db2.gz VFIATBZYBHWMFW-UHFFFAOYSA-N 1 0 376.504 3.990 20 30 GHEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccccc1SCC#N ZINC000840513146 860648862 /nfs/dbraw/zinc/64/88/62/860648862.db2.gz LYNJJRLYYDTMRZ-UHFFFAOYSA-N 1 0 385.489 3.504 20 30 GHEDRO C=CCc1cc(C[NH2+]CC2(N3CCC(OC)CC3)CCCC2)cc(OC)c1O ZINC000603513693 860784347 /nfs/dbraw/zinc/78/43/47/860784347.db2.gz QISBOJNBXAYYDJ-UHFFFAOYSA-N 1 0 388.552 3.643 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCN2CCCCCC2=O)cc1OC ZINC000623338717 860882698 /nfs/dbraw/zinc/88/26/98/860882698.db2.gz OYFGBAXACTXWSY-UHFFFAOYSA-N 1 0 380.916 3.796 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc(-n4ccnc4)cs3)CC2)c1 ZINC000593693194 860904205 /nfs/dbraw/zinc/90/42/05/860904205.db2.gz SGCVGYLUPUOQPT-UHFFFAOYSA-N 1 0 377.517 3.560 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3CCc4ccccc4CC3)CC2)c1 ZINC000600083038 860922764 /nfs/dbraw/zinc/92/27/64/860922764.db2.gz RRYIHPMTKXAWFO-UHFFFAOYSA-N 1 0 387.527 3.834 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000599202009 860942876 /nfs/dbraw/zinc/94/28/76/860942876.db2.gz KLUMLYPZOWGPFV-BHDDXSALSA-N 1 0 393.918 3.688 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCCO1 ZINC000126157829 860962554 /nfs/dbraw/zinc/96/25/54/860962554.db2.gz IAZGKJVSXITBNF-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000329035079 860964637 /nfs/dbraw/zinc/96/46/37/860964637.db2.gz YJBJRKDIPILSMQ-IAGOWNOFSA-N 1 0 396.535 3.548 20 30 GHEDRO C=CCCSCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000600090748 860973869 /nfs/dbraw/zinc/97/38/69/860973869.db2.gz OATLZARDXOZXJY-FCHUYYIVSA-N 1 0 395.572 3.723 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000329072466 860993764 /nfs/dbraw/zinc/99/37/64/860993764.db2.gz OFSHKSXUGRSVMW-TZMRYXNNSA-N 1 0 399.535 3.940 20 30 GHEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000593723659 860997450 /nfs/dbraw/zinc/99/74/50/860997450.db2.gz XRFLBKUAJLGMJZ-QGZVFWFLSA-N 1 0 376.504 3.832 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000593719998 861000598 /nfs/dbraw/zinc/00/05/98/861000598.db2.gz DWUXUMZXHZTLIG-XGCWNURASA-N 1 0 381.545 3.611 20 30 GHEDRO C=C(C)C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000481317557 861022226 /nfs/dbraw/zinc/02/22/26/861022226.db2.gz LYAABETUCIJYMG-SFHVURJKSA-N 1 0 379.504 3.966 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000329118111 861035416 /nfs/dbraw/zinc/03/54/16/861035416.db2.gz OGSPGIPIMYLWJJ-ZMOMAAQPSA-N 1 0 384.480 3.577 20 30 GHEDRO N#CC1(C[C@H](O)CN2CCSC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599294111 861035944 /nfs/dbraw/zinc/03/59/44/861035944.db2.gz BVWSUAZKXXZFJJ-ZWKOTPCHSA-N 1 0 380.941 3.501 20 30 GHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000599300412 861042882 /nfs/dbraw/zinc/04/28/82/861042882.db2.gz XYULBPOPYRKENV-NJYVYQBISA-N 1 0 392.584 3.898 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)CCOCC1 ZINC000599314370 861054677 /nfs/dbraw/zinc/05/46/77/861054677.db2.gz FJYWQXRRGXRTKN-QAPCUYQASA-N 1 0 393.325 3.657 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)CCOCC1 ZINC000599314369 861054842 /nfs/dbraw/zinc/05/48/42/861054842.db2.gz FJYWQXRRGXRTKN-MAUKXSAKSA-N 1 0 393.325 3.657 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000329145196 861064217 /nfs/dbraw/zinc/06/42/17/861064217.db2.gz ACGCYKPESVPNNZ-MSOLQXFVSA-N 1 0 386.521 3.826 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(SCc3ccccc3)s2)CC1 ZINC000730379566 861067198 /nfs/dbraw/zinc/06/71/98/861067198.db2.gz ZRAAFAJQNCNORT-UHFFFAOYSA-N 1 0 389.550 3.602 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000185636311 861106429 /nfs/dbraw/zinc/10/64/29/861106429.db2.gz UTXDATRSMAIFDW-JPYJTQIMSA-N 1 0 388.515 3.753 20 30 GHEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)CC2)C1=O ZINC000329188193 861117795 /nfs/dbraw/zinc/11/77/95/861117795.db2.gz QHWYVCBHAAFCOF-VSKRKVRLSA-N 1 0 391.515 3.595 20 30 GHEDRO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000329193900 861123603 /nfs/dbraw/zinc/12/36/03/861123603.db2.gz UILIIJZJAJWPOS-QHAWAJNXSA-N 1 0 383.536 3.881 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)CCOCC1 ZINC000599362923 861129042 /nfs/dbraw/zinc/12/90/42/861129042.db2.gz SIZKQOJKZVDGSA-KBPBESRZSA-N 1 0 399.354 3.719 20 30 GHEDRO Cn1c(SCC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)nnc1-c1cccs1 ZINC000329203115 861137321 /nfs/dbraw/zinc/13/73/21/861137321.db2.gz YKCMOGJPFFUAMR-ZDUSSCGKSA-N 1 0 391.566 3.609 20 30 GHEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000599386489 861151420 /nfs/dbraw/zinc/15/14/20/861151420.db2.gz VTQUNQIKKLYXKO-SJLPKXTDSA-N 1 0 378.394 3.890 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000329234410 861180392 /nfs/dbraw/zinc/18/03/92/861180392.db2.gz HTBNZJPUIAORBC-NVXWUHKLSA-N 1 0 392.931 3.826 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000599411663 861181492 /nfs/dbraw/zinc/18/14/92/861181492.db2.gz BPIMODMKIGTDAU-MJGOQNOKSA-N 1 0 396.453 3.956 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182005394 863083332 /nfs/dbraw/zinc/08/33/32/863083332.db2.gz PTDDHULJMLOMTM-INIZCTEOSA-N 1 0 393.516 3.835 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000439671464 863175038 /nfs/dbraw/zinc/17/50/38/863175038.db2.gz JQWMRLFNRSDGGH-DOPJRALCSA-N 1 0 375.900 3.866 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)C(N)=O)cc1 ZINC000155179491 881637181 /nfs/dbraw/zinc/63/71/81/881637181.db2.gz AOBIJBAAJPGKHM-JOCHJYFZSA-N 1 0 389.430 3.848 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)ccc1C#N ZINC000281632307 863294255 /nfs/dbraw/zinc/29/42/55/863294255.db2.gz IKBOETKQVAQSAF-UZUQRXQVSA-N 1 0 380.488 3.982 20 30 GHEDRO C=CCOc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cc1OC ZINC000160123765 863331154 /nfs/dbraw/zinc/33/11/54/863331154.db2.gz ROJCFCIHESDLPV-UHFFFAOYSA-N 1 0 383.492 3.740 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(c4ccccc4)CC3)C2)c(F)c1 ZINC000160168284 863373160 /nfs/dbraw/zinc/37/31/60/863373160.db2.gz YEBBMQFSRNQECE-HXUWFJFHSA-N 1 0 378.495 3.925 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000593992651 863691272 /nfs/dbraw/zinc/69/12/72/863691272.db2.gz BSEBGNWBZAQNHM-PWHSHALESA-N 1 0 375.516 3.906 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000593992652 863691385 /nfs/dbraw/zinc/69/13/85/863691385.db2.gz BSEBGNWBZAQNHM-SELNLUPBSA-N 1 0 375.516 3.906 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)N3CCc4[nH]c5ccccc5c4C3)CCC2)cc1 ZINC000594033725 863838625 /nfs/dbraw/zinc/83/86/25/863838625.db2.gz ZVGPDKIJVFOGCK-UHFFFAOYSA-N 1 0 384.483 3.593 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000480056172 863951981 /nfs/dbraw/zinc/95/19/81/863951981.db2.gz OIIUDEHXIDOLAF-AWEZNQCLSA-N 1 0 387.325 3.955 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000734164020 864041924 /nfs/dbraw/zinc/04/19/24/864041924.db2.gz IDDMUWXYZHDQSV-LJQANCHMSA-N 1 0 385.533 3.642 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000042932809 864104754 /nfs/dbraw/zinc/10/47/54/864104754.db2.gz QTJUYMLJJULDFM-UHFFFAOYSA-N 1 0 382.895 3.629 20 30 GHEDRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000896947264 864122224 /nfs/dbraw/zinc/12/22/24/864122224.db2.gz ATRNPBUNJARIQG-HKUYNNGSSA-N 1 0 393.487 3.837 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000734363741 864176777 /nfs/dbraw/zinc/17/67/77/864176777.db2.gz ONRKOSVFGRDQET-TVKQPGBESA-N 1 0 387.597 3.568 20 30 GHEDRO Cc1cccc(C)c1NC(=S)NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000734362401 864177377 /nfs/dbraw/zinc/17/73/77/864177377.db2.gz OUPUTSDXIRCGQI-KRWDZBQOSA-N 1 0 381.549 3.883 20 30 GHEDRO CC[N@H+](C)[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000508471852 864291175 /nfs/dbraw/zinc/29/11/75/864291175.db2.gz NQBKXMXFKUVLLK-JOCHJYFZSA-N 1 0 377.488 3.621 20 30 GHEDRO [NH2+]=C(NC[C@@H](O)c1cc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 ZINC000262436501 864329848 /nfs/dbraw/zinc/32/98/48/864329848.db2.gz TYCJHXLPOMGPKT-OAHLLOKOSA-N 1 0 383.473 3.523 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)COc3ccc(C#N)cc3)c(C)c2c1 ZINC000184331643 864370602 /nfs/dbraw/zinc/37/06/02/864370602.db2.gz MBNMOWLGDTVDQP-RDJZCZTQSA-N 1 0 380.444 3.712 20 30 GHEDRO Cc1c(CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000072073190 864434684 /nfs/dbraw/zinc/43/46/84/864434684.db2.gz NFSHMZGHDWCBMQ-UHFFFAOYSA-N 1 0 382.464 3.726 20 30 GHEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000063287329 864500110 /nfs/dbraw/zinc/50/01/10/864500110.db2.gz ROGZLDPLALYKNY-HXUWFJFHSA-N 1 0 394.475 3.610 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723542 864538718 /nfs/dbraw/zinc/53/87/18/864538718.db2.gz GCUYDTUIJWMPPO-OHTSDLOESA-N 1 0 399.336 3.954 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000586053085 864626551 /nfs/dbraw/zinc/62/65/51/864626551.db2.gz KJQAHFUSIWGCBY-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455945549 864690969 /nfs/dbraw/zinc/69/09/69/864690969.db2.gz WIDWOUVDLQRHIO-JOCHJYFZSA-N 1 0 392.503 3.788 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000131102643 864896903 /nfs/dbraw/zinc/89/69/03/864896903.db2.gz RUQJSHRHIHZRHA-UHFFFAOYSA-N 1 0 379.508 3.896 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000554849188 865038335 /nfs/dbraw/zinc/03/83/35/865038335.db2.gz WRCIKQLHZBGBOO-UONOGXRCSA-N 1 0 386.293 3.849 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1cccc(CO)c1 ZINC000736275646 865169200 /nfs/dbraw/zinc/16/92/00/865169200.db2.gz UCDVYAHPYHBWBU-UHFFFAOYSA-O 1 0 393.891 3.636 20 30 GHEDRO CC(C)(C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)c1cc(F)cc(C#N)c1 ZINC000899047474 865178974 /nfs/dbraw/zinc/17/89/74/865178974.db2.gz OXXFEVORJUQIMG-UHFFFAOYSA-N 1 0 399.857 3.638 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)c3)cc2)C[C@H](C)O1 ZINC000455956066 865210239 /nfs/dbraw/zinc/21/02/39/865210239.db2.gz XKLZBLHFIRXJLS-HDICACEKSA-N 1 0 392.503 3.684 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccsc1 ZINC000480813968 865328500 /nfs/dbraw/zinc/32/85/00/865328500.db2.gz VMSRHKVGSRJXRB-IBGZPJMESA-N 1 0 385.533 3.976 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccccc2OC)CC1 ZINC000171764697 865362117 /nfs/dbraw/zinc/36/21/17/865362117.db2.gz KOXXUFDEKBLWLO-QFIPXVFZSA-N 1 0 379.504 3.734 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(F)(F)CC1=C[NH2+]Nc1nc(-c2ccccc2)no1 ZINC000793004092 881871331 /nfs/dbraw/zinc/87/13/31/881871331.db2.gz GNHGCCUKBWOBBO-ZDUSSCGKSA-N 1 0 393.394 3.779 20 30 GHEDRO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000174129545 865477543 /nfs/dbraw/zinc/47/75/43/865477543.db2.gz CRDXPITXBMXEOY-UHFFFAOYSA-N 1 0 394.519 3.823 20 30 GHEDRO C=CCCS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000480968026 865590328 /nfs/dbraw/zinc/59/03/28/865590328.db2.gz ZOKCTEZZIXFCJD-NVXWUHKLSA-N 1 0 390.471 3.584 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594255572 865620066 /nfs/dbraw/zinc/62/00/66/865620066.db2.gz GYXBZGQPJWUSIK-AUSIDOKSSA-N 1 0 375.516 3.765 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000594255883 865622536 /nfs/dbraw/zinc/62/25/36/865622536.db2.gz OFTTZTZJQQROGE-LJQANCHMSA-N 1 0 387.527 3.786 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000555269796 865806441 /nfs/dbraw/zinc/80/64/41/865806441.db2.gz QUJHFQQKVJNHRF-QGZVFWFLSA-N 1 0 399.514 3.665 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000555271119 865807495 /nfs/dbraw/zinc/80/74/95/865807495.db2.gz TWRKBECTSBQOKQ-UHFFFAOYSA-N 1 0 385.556 3.789 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1=S ZINC000739876477 865808091 /nfs/dbraw/zinc/80/80/91/865808091.db2.gz SUMNMKAFXWYJNC-FQEVSTJZSA-N 1 0 397.592 3.566 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCCn1ccnc1C ZINC000174452878 865809335 /nfs/dbraw/zinc/80/93/35/865809335.db2.gz IJBUABQRERJACE-UHFFFAOYSA-N 1 0 376.298 3.536 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000174432792 865818903 /nfs/dbraw/zinc/81/89/03/865818903.db2.gz ZTYUMGNUTZBPIT-GOSISDBHSA-N 1 0 394.519 3.740 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000739989883 865820804 /nfs/dbraw/zinc/82/08/04/865820804.db2.gz MRZPFERUFKXOFK-MBSDFSHPSA-N 1 0 391.515 3.794 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000739991494 865821831 /nfs/dbraw/zinc/82/18/31/865821831.db2.gz RLGIKWOVKPHVCL-QFIPXVFZSA-N 1 0 377.488 3.548 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740050928 865837458 /nfs/dbraw/zinc/83/74/58/865837458.db2.gz GMZZYUIMPMNUKO-GOSISDBHSA-N 1 0 382.533 3.960 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555292537 865858423 /nfs/dbraw/zinc/85/84/23/865858423.db2.gz MPXXDZJUMOXEDL-TZIWHRDSSA-N 1 0 393.535 3.595 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000456003046 865975978 /nfs/dbraw/zinc/97/59/78/865975978.db2.gz XMZUWUIEUVRSPJ-UHFFFAOYSA-N 1 0 376.504 3.555 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000481193381 865979907 /nfs/dbraw/zinc/97/99/07/865979907.db2.gz SPXDTPGOTYFTSC-RBBKRZOGSA-N 1 0 382.529 3.723 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456011659 865989604 /nfs/dbraw/zinc/98/96/04/865989604.db2.gz VCGLIPCKICKQAT-NRFANRHFSA-N 1 0 377.492 3.780 20 30 GHEDRO N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000793125946 881934691 /nfs/dbraw/zinc/93/46/91/881934691.db2.gz RISOIZSTLPEJHE-HNNXBMFYSA-N 1 0 386.383 3.610 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000741067832 866212444 /nfs/dbraw/zinc/21/24/44/866212444.db2.gz PMDGGRDDSMZRLY-IBGZPJMESA-N 1 0 377.488 3.827 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000741068396 866213789 /nfs/dbraw/zinc/21/37/89/866213789.db2.gz WDQIWCNASLYTSW-IBGZPJMESA-N 1 0 377.488 3.827 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000475551246 866243368 /nfs/dbraw/zinc/24/33/68/866243368.db2.gz XLTJSWCYWFHAFP-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO COCC[N@@H+]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000478533545 866245047 /nfs/dbraw/zinc/24/50/47/866245047.db2.gz FTDSUQFKGAJDKM-UHFFFAOYSA-N 1 0 395.528 3.504 20 30 GHEDRO C=CCc1ccc(OCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(OC)c1 ZINC000456256051 866307553 /nfs/dbraw/zinc/30/75/53/866307553.db2.gz CLRVZRUSUUKESP-FQEVSTJZSA-N 1 0 380.488 3.990 20 30 GHEDRO CC(C)[C@H](CO)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000494576102 881965259 /nfs/dbraw/zinc/96/52/59/881965259.db2.gz AYBICFMUGDNVRR-FQEVSTJZSA-N 1 0 376.460 3.627 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000909598575 866409201 /nfs/dbraw/zinc/40/92/01/866409201.db2.gz QRHDQKAEUWGRJM-UHFFFAOYSA-N 1 0 399.535 3.646 20 30 GHEDRO C[C@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000456317642 866422240 /nfs/dbraw/zinc/42/22/40/866422240.db2.gz AZQOYZWLXABLSP-GOSISDBHSA-N 1 0 391.490 3.709 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000665844396 866544550 /nfs/dbraw/zinc/54/45/50/866544550.db2.gz PBRQHMBZBVENGF-LJQANCHMSA-N 1 0 398.551 3.743 20 30 GHEDRO C[NH+](C)C1(CNC(=S)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc2C1 ZINC000741482093 866557442 /nfs/dbraw/zinc/55/74/42/866557442.db2.gz FGSHQNOMOZIFIG-UHFFFAOYSA-N 1 0 384.936 3.597 20 30 GHEDRO COc1ccc(OC)c(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305258336 866589698 /nfs/dbraw/zinc/58/96/98/866589698.db2.gz XDZBMFNTEIPUPB-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO [NH2+]=C(NCC1(c2ccccc2Cl)CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000262542888 866616513 /nfs/dbraw/zinc/61/65/13/866616513.db2.gz SYLHIIDWMLDYIL-LJQANCHMSA-N 1 0 399.922 3.816 20 30 GHEDRO C[NH+](C)CCOC1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000553046013 866695142 /nfs/dbraw/zinc/69/51/42/866695142.db2.gz RSPULKOEVXLGOZ-UHFFFAOYSA-N 1 0 386.721 3.521 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2ccc(C(C)=O)cc2CC1)C(C)C ZINC000534483270 866861508 /nfs/dbraw/zinc/86/15/08/866861508.db2.gz GFUWWQNTSDCWFP-QHCPKHFHSA-N 1 0 397.563 3.698 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000553155737 866913248 /nfs/dbraw/zinc/91/32/48/866913248.db2.gz CXBXKNABGOKVJS-UHFFFAOYSA-N 1 0 393.535 3.802 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000793206250 882033316 /nfs/dbraw/zinc/03/33/16/882033316.db2.gz DIPJWOVLYOBYDU-AWEZNQCLSA-N 1 0 377.286 3.506 20 30 GHEDRO CC[NH+](CC)[C@H](C)CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553206413 866994766 /nfs/dbraw/zinc/99/47/66/866994766.db2.gz GJGXFOQHDDLYRD-MRXNPFEDSA-N 1 0 390.959 3.665 20 30 GHEDRO C=CCn1c([C@H](C)CC)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508505322 867060594 /nfs/dbraw/zinc/06/05/94/867060594.db2.gz BYBGWYVVOBTQFE-QYZOEREBSA-N 1 0 389.588 3.693 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cc(C#N)ccc2F)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000742381696 867250161 /nfs/dbraw/zinc/25/01/61/867250161.db2.gz DDNHWFHNEMTOBM-UHFFFAOYSA-N 1 0 392.434 3.549 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)ccc1OC ZINC000742375947 867269511 /nfs/dbraw/zinc/26/95/11/867269511.db2.gz YGTFIHLIFPKGGP-FQEVSTJZSA-N 1 0 380.488 3.854 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccccc1CC ZINC000766289895 867597092 /nfs/dbraw/zinc/59/70/92/867597092.db2.gz NMKSNOYJIGMFOV-UHFFFAOYSA-O 1 0 397.520 3.700 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCc3ccc(CC[NH+](C)C)cc3)c2c1 ZINC000553535638 867598635 /nfs/dbraw/zinc/59/86/35/867598635.db2.gz NDPREOJKGDMJJR-UHFFFAOYSA-N 1 0 390.487 3.840 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c(O)c1 ZINC000743044851 867777958 /nfs/dbraw/zinc/77/79/58/867777958.db2.gz RZNUNIQJBXDDOJ-ZODBMFPDSA-N 1 0 391.515 3.814 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000743199531 867949678 /nfs/dbraw/zinc/94/96/78/867949678.db2.gz GIFFFMDJALBAIF-LJQANCHMSA-N 1 0 381.451 3.624 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)c1ccc(C)cc1 ZINC000743256670 867994064 /nfs/dbraw/zinc/99/40/64/867994064.db2.gz SXMSVGFICNCKCP-LJQANCHMSA-N 1 0 386.565 3.627 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCSc4c(F)cccc43)C2=O)cc1 ZINC000190624464 882150355 /nfs/dbraw/zinc/15/03/55/882150355.db2.gz MZCVZNBBJUZEEJ-MOPGFXCFSA-N 1 0 381.476 3.625 20 30 GHEDRO C=CCN(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000121529003 882151692 /nfs/dbraw/zinc/15/16/92/882151692.db2.gz DRVFXCKAFWOFSA-QGZVFWFLSA-N 1 0 399.516 3.561 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H]([NH+](CC)CC)C2)c1=S ZINC000743394900 868153287 /nfs/dbraw/zinc/15/32/87/868153287.db2.gz QKUSUEWVRONFBU-LJQANCHMSA-N 1 0 385.581 3.949 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc(OC)c1OC ZINC000457375957 868192934 /nfs/dbraw/zinc/19/29/34/868192934.db2.gz MCCZUELXSNZYCO-WOJBJXKFSA-N 1 0 398.478 3.528 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000743492945 868237606 /nfs/dbraw/zinc/23/76/06/868237606.db2.gz CBZKGHJYKLUJSX-AWEZNQCLSA-N 1 0 395.366 3.534 20 30 GHEDRO CCCCCNC(=O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000156101055 868253144 /nfs/dbraw/zinc/25/31/44/868253144.db2.gz BEHPLPQKHUTDIP-UHFFFAOYSA-N 1 0 396.453 3.955 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000743624679 868311392 /nfs/dbraw/zinc/31/13/92/868311392.db2.gz HGUTUNTXVQJDMK-SFHVURJKSA-N 1 0 382.533 3.912 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000743813567 868428185 /nfs/dbraw/zinc/42/81/85/868428185.db2.gz ASISZQRKHQGLCQ-SFHVURJKSA-N 1 0 397.548 3.801 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C(C)(C)C[NH+](C)C ZINC000479759337 868483048 /nfs/dbraw/zinc/48/30/48/868483048.db2.gz XWZCYNUISLAVDE-QGZVFWFLSA-N 1 0 379.504 3.843 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000183891188 868575024 /nfs/dbraw/zinc/57/50/24/868575024.db2.gz KPXNFZHUKNKQCH-QGZVFWFLSA-N 1 0 380.414 3.744 20 30 GHEDRO C=CCC1(NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCOCC1 ZINC000666045674 882204261 /nfs/dbraw/zinc/20/42/61/882204261.db2.gz PSPAYIJWCKEDDT-UHFFFAOYSA-N 1 0 375.513 3.654 20 30 GHEDRO N#CC1(NC(=O)COCc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000457691816 868637732 /nfs/dbraw/zinc/63/77/32/868637732.db2.gz NALOYKSXEVZWIW-UHFFFAOYSA-N 1 0 397.906 3.531 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669810397 868642869 /nfs/dbraw/zinc/64/28/69/868642869.db2.gz ADGBADCYDLPNMV-HZPDHXFCSA-N 1 0 389.931 3.788 20 30 GHEDRO COc1cc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)ccc1C#N ZINC000440811570 868667407 /nfs/dbraw/zinc/66/74/07/868667407.db2.gz HLMPERPOBXQHKY-UHFFFAOYSA-N 1 0 392.503 3.993 20 30 GHEDRO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000744213775 868668433 /nfs/dbraw/zinc/66/84/33/868668433.db2.gz BNRTUGJMFLKYCB-FQEVSTJZSA-N 1 0 384.520 3.635 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000744269555 868714915 /nfs/dbraw/zinc/71/49/15/868714915.db2.gz GMCXCJBNZWFBEP-NRFANRHFSA-N 1 0 384.907 3.515 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000445594906 868718741 /nfs/dbraw/zinc/71/87/41/868718741.db2.gz XTXBGRHETYIXSJ-UHFFFAOYSA-N 1 0 379.479 3.610 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000669815999 868901471 /nfs/dbraw/zinc/90/14/71/868901471.db2.gz IVFAKZFUBMYLMD-RBBKRZOGSA-N 1 0 391.563 3.702 20 30 GHEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000539423151 869102808 /nfs/dbraw/zinc/10/28/08/869102808.db2.gz CIFFSOQQMZFZIC-VOBQZIQPSA-N 1 0 388.920 3.972 20 30 GHEDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000440904096 869191529 /nfs/dbraw/zinc/19/15/29/869191529.db2.gz METIEQNBQVWBEO-UHFFFAOYSA-N 1 0 391.537 3.539 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000524520911 869220174 /nfs/dbraw/zinc/22/01/74/869220174.db2.gz JPOBMZNUUFHLAT-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539492418 869231359 /nfs/dbraw/zinc/23/13/59/869231359.db2.gz TZKPMHUQDGGHBC-HYBUGGRVSA-N 1 0 395.499 3.667 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000609094892 869364723 /nfs/dbraw/zinc/36/47/23/869364723.db2.gz JLRFMPZBDDVOEF-QFIPXVFZSA-N 1 0 394.563 3.832 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)s2)cc1 ZINC000524660802 869389960 /nfs/dbraw/zinc/38/99/60/869389960.db2.gz FUMZLEJPXXDHQE-SFHVURJKSA-N 1 0 395.532 3.698 20 30 GHEDRO CC(C)([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H](O)c1ccc(Br)cc1 ZINC000793588884 882295036 /nfs/dbraw/zinc/29/50/36/882295036.db2.gz FBHHLRZDRKJFMM-SFHVURJKSA-N 1 0 399.292 3.570 20 30 GHEDRO COc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3C#N)CC1)O[C@H](C)C2 ZINC000539838181 869855749 /nfs/dbraw/zinc/85/57/49/869855749.db2.gz CWVQWIYBKTZHMN-QGZVFWFLSA-N 1 0 377.488 3.603 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1C#N ZINC000130112133 869872372 /nfs/dbraw/zinc/87/23/72/869872372.db2.gz ACPWWIIKECEJLV-UHFFFAOYSA-N 1 0 384.455 3.868 20 30 GHEDRO CC(C)(O)C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CCOCC1 ZINC000539836632 869875836 /nfs/dbraw/zinc/87/58/36/869875836.db2.gz UZRKMJWUQOKGQF-UHFFFAOYSA-N 1 0 394.515 3.889 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1Cl ZINC000539853692 869918667 /nfs/dbraw/zinc/91/86/67/869918667.db2.gz KHSLPISROPTPNI-UHFFFAOYSA-N 1 0 389.908 3.651 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000525194846 870177728 /nfs/dbraw/zinc/17/77/28/870177728.db2.gz FNBNLZCRMBLWIW-UHFFFAOYSA-N 1 0 397.276 3.675 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC001192334875 870296321 /nfs/dbraw/zinc/29/63/21/870296321.db2.gz KQLDPYOKVDJRKA-YADARESESA-N 1 0 375.516 3.827 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000538704220 870435531 /nfs/dbraw/zinc/43/55/31/870435531.db2.gz VTQGAYBXXRLLRT-SFHVURJKSA-N 1 0 380.536 3.673 20 30 GHEDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000538729113 870451405 /nfs/dbraw/zinc/45/14/05/870451405.db2.gz RFLFGINZZKQIRJ-QFIPXVFZSA-N 1 0 390.483 3.912 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000141679092 870498717 /nfs/dbraw/zinc/49/87/17/870498717.db2.gz OGZAFAAUJRTENM-NRFANRHFSA-N 1 0 396.579 3.889 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCC[C@H](C#N)C3)C2=O)ccc1Br ZINC000193293036 870529569 /nfs/dbraw/zinc/52/95/69/870529569.db2.gz NDLWKGXIHYGHNC-ZQIUZPCESA-N 1 0 376.298 3.535 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000141817022 870576893 /nfs/dbraw/zinc/57/68/93/870576893.db2.gz IQQCUYUPCNCFNJ-SFHVURJKSA-N 1 0 375.582 3.602 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000525395745 870609071 /nfs/dbraw/zinc/60/90/71/870609071.db2.gz DTPFAVNLKKUQJX-FUHWJXTLSA-N 1 0 381.476 3.675 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000552024633 870621543 /nfs/dbraw/zinc/62/15/43/870621543.db2.gz SFUOLPUXQMVNIB-RYUDHWBXSA-N 1 0 379.489 3.663 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC001192768914 870654368 /nfs/dbraw/zinc/65/43/68/870654368.db2.gz CDUOGQACDJJCED-HXUWFJFHSA-N 1 0 399.498 3.661 20 30 GHEDRO Cc1cc(C)c(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000540212534 870746441 /nfs/dbraw/zinc/74/64/41/870746441.db2.gz NKYISHTYGIEBMM-UHFFFAOYSA-N 1 0 375.516 3.761 20 30 GHEDRO CCC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC001192909450 870765100 /nfs/dbraw/zinc/76/51/00/870765100.db2.gz JZFFJKPVYICUJH-KRWDZBQOSA-N 1 0 380.414 3.792 20 30 GHEDRO C=CCC[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000617703387 870787780 /nfs/dbraw/zinc/78/77/80/870787780.db2.gz HOAXXZVZSIYEJY-PKTZIBPZSA-N 1 0 378.516 3.619 20 30 GHEDRO C=CC[N@H+](Cc1cncc(C(F)(F)F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000463073206 870834949 /nfs/dbraw/zinc/83/49/49/870834949.db2.gz HTTTUXHVYMQVAA-AWEZNQCLSA-N 1 0 388.397 3.825 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000461744567 870896994 /nfs/dbraw/zinc/89/69/94/870896994.db2.gz GNFNHEZGCAWSLV-VGOFRKELSA-N 1 0 377.488 3.624 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1 ZINC000447082882 870964693 /nfs/dbraw/zinc/96/46/93/870964693.db2.gz SXQQSGCKESYPSO-UHFFFAOYSA-N 1 0 399.434 3.964 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c(C)c2)CC1 ZINC000461793695 870968073 /nfs/dbraw/zinc/96/80/73/870968073.db2.gz DGGXLBSCINNNKB-GOSISDBHSA-N 1 0 376.504 3.751 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)c1cccc(OC)c1 ZINC000461795464 870973808 /nfs/dbraw/zinc/97/38/08/870973808.db2.gz JZTYNUJJBSGQHC-HTAPYJJXSA-N 1 0 379.504 3.870 20 30 GHEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000540352383 871046534 /nfs/dbraw/zinc/04/65/34/871046534.db2.gz QYTNJVNEOYGQDF-HXUWFJFHSA-N 1 0 384.907 3.899 20 30 GHEDRO N#Cc1ccc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)nc1C(F)(F)F ZINC001168995720 871077081 /nfs/dbraw/zinc/07/70/81/871077081.db2.gz MPPYOIQRWPMBNE-UHFFFAOYSA-N 1 0 379.773 3.856 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OCC(C)C ZINC000540366829 871126085 /nfs/dbraw/zinc/12/60/85/871126085.db2.gz TWTYBOOBFPRTHE-HOIFWPIMSA-N 1 0 389.540 3.824 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OCC(C)C ZINC000540366833 871126313 /nfs/dbraw/zinc/12/63/13/871126313.db2.gz TWTYBOOBFPRTHE-PNLZDCPESA-N 1 0 389.540 3.824 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C(C)C)[C@@H]2CCOC2)c1C#N ZINC000463218866 871179560 /nfs/dbraw/zinc/17/95/60/871179560.db2.gz MZWCOASMVUMXMB-LJQANCHMSA-N 1 0 398.482 3.543 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000181587151 871226319 /nfs/dbraw/zinc/22/63/19/871226319.db2.gz UTNFYFWIIQSGBO-HNAYVOBHSA-N 1 0 384.451 3.577 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000181585902 871228535 /nfs/dbraw/zinc/22/85/35/871228535.db2.gz QHYHFSXGBQNBRO-UHFFFAOYSA-N 1 0 397.906 3.737 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000539086020 871230839 /nfs/dbraw/zinc/23/08/39/871230839.db2.gz DVQRSNKAADIXOW-AWEZNQCLSA-N 1 0 396.434 3.779 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000428809063 871249383 /nfs/dbraw/zinc/24/93/83/871249383.db2.gz OZEGYPYALPWXOA-QGZVFWFLSA-N 1 0 377.366 3.504 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000539099228 871313964 /nfs/dbraw/zinc/31/39/64/871313964.db2.gz YVFUUKVDNPEFGT-OAHLLOKOSA-N 1 0 381.442 3.893 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000181637944 871319025 /nfs/dbraw/zinc/31/90/25/871319025.db2.gz ULKZLFXCTLWCIC-LJQANCHMSA-N 1 0 378.444 3.597 20 30 GHEDRO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000145652517 871323999 /nfs/dbraw/zinc/32/39/99/871323999.db2.gz YWJSRTMSBGOGFJ-QFIPXVFZSA-N 1 0 378.516 3.988 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463270656 871336647 /nfs/dbraw/zinc/33/66/47/871336647.db2.gz YQKZZPCSDUHHFO-XXBNENTESA-N 1 0 390.531 3.999 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000181685670 871375987 /nfs/dbraw/zinc/37/59/87/871375987.db2.gz LOXFVTGZHHNHRH-OAHLLOKOSA-N 1 0 391.562 3.544 20 30 GHEDRO CCC1(CC)CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC001169301553 871396906 /nfs/dbraw/zinc/39/69/06/871396906.db2.gz WNIDUKAAOTZZIG-UHFFFAOYSA-N 1 0 379.508 3.975 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670216400 871413829 /nfs/dbraw/zinc/41/38/29/871413829.db2.gz CKCOHROPIWIWIW-IAGOWNOFSA-N 1 0 387.503 3.664 20 30 GHEDRO CCOc1ccccc1OCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000441244515 871465290 /nfs/dbraw/zinc/46/52/90/871465290.db2.gz KBTXZTATDZPZNH-UHFFFAOYSA-N 1 0 379.504 3.544 20 30 GHEDRO N#CC(CC[NH+]1CCC(OCCCO)CC1)(c1ccccc1)c1ccccc1 ZINC000618285237 871467710 /nfs/dbraw/zinc/46/77/10/871467710.db2.gz YXMTTYYAGHUBSO-UHFFFAOYSA-N 1 0 378.516 3.750 20 30 GHEDRO N#Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000525828990 871511367 /nfs/dbraw/zinc/51/13/67/871511367.db2.gz VRPMNDOJGIPVCL-HDICACEKSA-N 1 0 380.879 3.807 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(N2CCCC2)c1 ZINC000447388284 871517820 /nfs/dbraw/zinc/51/78/20/871517820.db2.gz WPRVKTIIBGNLGJ-BEFAXECRSA-N 1 0 380.517 3.676 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462061625 871540200 /nfs/dbraw/zinc/54/02/00/871540200.db2.gz QQXKNGDYMQFQSK-ZDUSSCGKSA-N 1 0 383.305 3.848 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](CC)Cc1ccc3c(c1)OCO3)CC2 ZINC001170441721 882522084 /nfs/dbraw/zinc/52/20/84/882522084.db2.gz KFBLHQAYBMFGCV-AUSIDOKSSA-N 1 0 384.520 3.770 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc2c(c1)OCO2 ZINC000539266875 871589838 /nfs/dbraw/zinc/58/98/38/871589838.db2.gz FBPDZXWVPHUPLB-LSDHHAIUSA-N 1 0 397.500 3.956 20 30 GHEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000540590218 871639623 /nfs/dbraw/zinc/63/96/23/871639623.db2.gz CXQUQFOKVTYORN-GOSISDBHSA-N 1 0 375.488 3.551 20 30 GHEDRO C[N@H+](CCc1cccc(Br)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000463411192 871656691 /nfs/dbraw/zinc/65/66/91/871656691.db2.gz CKGOILOWVAENEG-LJQANCHMSA-N 1 0 398.304 3.601 20 30 GHEDRO CC[C@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000447522409 871746767 /nfs/dbraw/zinc/74/67/67/871746767.db2.gz YOKSTZPDCWKMGC-GOTSBHOMSA-N 1 0 379.504 3.681 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000539359257 871755737 /nfs/dbraw/zinc/75/57/37/871755737.db2.gz JGNKEECPPKWKRE-NRFANRHFSA-N 1 0 379.504 3.689 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCN(c4ccccc4F)C3)CC2)cc1 ZINC000182089472 871820681 /nfs/dbraw/zinc/82/06/81/871820681.db2.gz ACRXIZDGVCKBSN-JOCHJYFZSA-N 1 0 392.522 3.920 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000447592468 871902890 /nfs/dbraw/zinc/90/28/90/871902890.db2.gz LQYQPGCQZSZOCM-SFTDATJTSA-N 1 0 390.443 3.629 20 30 GHEDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C#CBr)cc1 ZINC001194817867 871969735 /nfs/dbraw/zinc/96/97/35/871969735.db2.gz OCBJEOUEMQYIAH-FQEVSTJZSA-N 1 0 397.316 3.957 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001169895140 871983774 /nfs/dbraw/zinc/98/37/74/871983774.db2.gz MYABFSUNDRWXFP-NRFANRHFSA-N 1 0 397.469 3.717 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000618797185 872004420 /nfs/dbraw/zinc/00/44/20/872004420.db2.gz FHDIRUATLBPOEX-OALUTQOASA-N 1 0 380.517 3.743 20 30 GHEDRO N#CCCCCNC(=O)c1cc(F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001194878084 872005369 /nfs/dbraw/zinc/00/53/69/872005369.db2.gz FJYJJXLEXINWAK-UHFFFAOYSA-N 1 0 394.494 3.572 20 30 GHEDRO CC(C)(CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000618804196 872012617 /nfs/dbraw/zinc/01/26/17/872012617.db2.gz DGLSFLWIMRWIRL-JOCHJYFZSA-N 1 0 388.515 3.682 20 30 GHEDRO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)o1 ZINC000857826787 882571618 /nfs/dbraw/zinc/57/16/18/882571618.db2.gz BJQBPODBDRAKOO-QGZVFWFLSA-N 1 0 381.476 3.582 20 30 GHEDRO CCN(C(=O)COc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000921086280 882572433 /nfs/dbraw/zinc/57/24/33/882572433.db2.gz CUCNEAVMOHRWDC-NQIIRXRSSA-N 1 0 377.488 3.621 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618840360 872050472 /nfs/dbraw/zinc/05/04/72/872050472.db2.gz BZRXPFBOJKLXCZ-OAQYLSRUSA-N 1 0 396.922 3.972 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NCC(F)(F)F)c1 ZINC000101535157 872072554 /nfs/dbraw/zinc/07/25/54/872072554.db2.gz NVGMBFHIUIFDQG-UHFFFAOYSA-O 1 0 381.443 3.990 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000447676414 872082500 /nfs/dbraw/zinc/08/25/00/872082500.db2.gz QTCXFWDHHVTSCC-MBSDFSHPSA-N 1 0 391.563 3.692 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(-n2cncn2)cc1 ZINC000526107856 872137224 /nfs/dbraw/zinc/13/72/24/872137224.db2.gz FBKVOZQQTQMFCS-YQHFOJDRSA-N 1 0 388.475 3.575 20 30 GHEDRO COc1ccc2c(c1)C[C@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)CC2 ZINC000526122239 872185248 /nfs/dbraw/zinc/18/52/48/872185248.db2.gz GMHUNTKTVUNJHO-NYLDSWQDSA-N 1 0 377.488 3.799 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000182378242 872269924 /nfs/dbraw/zinc/26/99/24/872269924.db2.gz BXIQMWRTOUJVTP-UHFFFAOYSA-N 1 0 397.972 3.734 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cncc(Br)c2)cc(OC)c1OC ZINC000767178247 872302617 /nfs/dbraw/zinc/30/26/17/872302617.db2.gz ZZTMKVXCSSJUDB-UHFFFAOYSA-N 1 0 377.282 3.880 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(OC)cc2)[n+]2cccc(C)c2)cn1 ZINC000101900519 872354206 /nfs/dbraw/zinc/35/42/06/872354206.db2.gz DQNARJKRWZOVTN-UHFFFAOYSA-O 1 0 395.508 3.558 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463695735 872356011 /nfs/dbraw/zinc/35/60/11/872356011.db2.gz GVFBCEVRGSJALV-ICSRJNTNSA-N 1 0 394.515 3.900 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1Cl ZINC000447830965 872362022 /nfs/dbraw/zinc/36/20/22/872362022.db2.gz LVYACRDWHCQNOL-IAGOWNOFSA-N 1 0 377.916 3.521 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](CO)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000552274903 872368757 /nfs/dbraw/zinc/36/87/57/872368757.db2.gz FPDJDZJBICELLX-HXUWFJFHSA-N 1 0 389.421 3.869 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803434 872400248 /nfs/dbraw/zinc/40/02/48/872400248.db2.gz FQAZBUPYXQBEJM-IBGZPJMESA-N 1 0 398.510 3.856 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001195429014 872417770 /nfs/dbraw/zinc/41/77/70/872417770.db2.gz ZBNAYFIAVGNLMW-QHCPKHFHSA-N 1 0 390.531 3.872 20 30 GHEDRO C#C[C@H]1CCCN(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)C1 ZINC001195568946 872507459 /nfs/dbraw/zinc/50/74/59/872507459.db2.gz TWNRSCBXLYOQKK-IBGZPJMESA-N 1 0 384.483 3.823 20 30 GHEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C1CCC(Oc3ccc(C#N)cn3)CC1)CC2 ZINC000619465769 872661586 /nfs/dbraw/zinc/66/15/86/872661586.db2.gz ZFZCQFZBCASPRO-AFMYVXGZSA-N 1 0 393.487 3.938 20 30 GHEDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541073691 872854427 /nfs/dbraw/zinc/85/44/27/872854427.db2.gz CLLUQZYAIZIZJX-QZTJIDSGSA-N 1 0 379.504 3.807 20 30 GHEDRO CC[C@@H](CO)[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1ccccc1 ZINC000767832291 872880604 /nfs/dbraw/zinc/88/06/04/872880604.db2.gz YIRXPGBYWQESAK-QFIPXVFZSA-N 1 0 393.531 3.823 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000527297593 872974411 /nfs/dbraw/zinc/97/44/11/872974411.db2.gz OWSJVOUYXGQDNM-CQSZACIVSA-N 1 0 379.426 3.836 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)[C@H](C)C1 ZINC001196328393 873034658 /nfs/dbraw/zinc/03/46/58/873034658.db2.gz HDMHZMYEPZQCGU-OPAMFIHVSA-N 1 0 377.488 3.779 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000619822898 873056227 /nfs/dbraw/zinc/05/62/27/873056227.db2.gz AODAGRCBMVJVHJ-VQTJNVASSA-N 1 0 382.895 3.801 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(Cl)cc1 ZINC000619825302 873058387 /nfs/dbraw/zinc/05/83/87/873058387.db2.gz LIFWRARHWMQZLX-GOSISDBHSA-N 1 0 380.879 3.851 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470014599 873134728 /nfs/dbraw/zinc/13/47/28/873134728.db2.gz CMEVOMKOSNCFDB-FRIZHTMISA-N 1 0 398.334 3.889 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000768221352 873173719 /nfs/dbraw/zinc/17/37/19/873173719.db2.gz PXDRPPIZXIUBMG-NPPFBWRTSA-N 1 0 393.487 3.635 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2cc(C#N)cc(Cl)n2)c1C ZINC000768377309 873280113 /nfs/dbraw/zinc/28/01/13/873280113.db2.gz YTVCZKFOUYJUPN-SFHVURJKSA-N 1 0 384.915 3.955 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000768501123 873339361 /nfs/dbraw/zinc/33/93/61/873339361.db2.gz UCGKPKYGFRBSJH-UXHICEINSA-N 1 0 397.592 3.949 20 30 GHEDRO Cc1ccc(NC(=O)c2ccccc2SCC#N)cc1NC(=O)CC[NH+](C)C ZINC000768581985 873383388 /nfs/dbraw/zinc/38/33/88/873383388.db2.gz NPQQHDSJFOYDKM-UHFFFAOYSA-N 1 0 396.516 3.753 20 30 GHEDRO OC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001196927132 873456967 /nfs/dbraw/zinc/45/69/67/873456967.db2.gz LWJIOMCXXBRPEQ-NSHDSACASA-N 1 0 381.263 3.543 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)cc2)CC1 ZINC000867220412 873521427 /nfs/dbraw/zinc/52/14/27/873521427.db2.gz MMHGESFNIPMQJM-UHFFFAOYSA-N 1 0 387.487 3.822 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000768753046 873555397 /nfs/dbraw/zinc/55/53/97/873555397.db2.gz KLWPXGFTWREWGD-IBGZPJMESA-N 1 0 376.504 3.905 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccnn3CCc3ccccc3)CCOCC2)cc1 ZINC000527809389 873594715 /nfs/dbraw/zinc/59/47/15/873594715.db2.gz KECJHZBOSNWHOG-UHFFFAOYSA-N 1 0 386.499 3.793 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001197105254 873601974 /nfs/dbraw/zinc/60/19/74/873601974.db2.gz RBYZTKOZNKVCFZ-CQSZACIVSA-N 1 0 386.293 3.822 20 30 GHEDRO C=C(Br)CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768994904 873761033 /nfs/dbraw/zinc/76/10/33/873761033.db2.gz GHBZSNJQMRJZMG-UHFFFAOYSA-N 1 0 382.302 3.581 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@]4(C#N)C[C@H]4C)cc3)CC2)c1 ZINC000448693339 873783349 /nfs/dbraw/zinc/78/33/49/873783349.db2.gz BTDQNKUIOMYSPM-NTKDMRAZSA-N 1 0 388.515 3.806 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000464398042 873783771 /nfs/dbraw/zinc/78/37/71/873783771.db2.gz VMUUATMOLGLKQQ-PGRDOPGGSA-N 1 0 394.515 3.900 20 30 GHEDRO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CCCCC1 ZINC000448730043 873828841 /nfs/dbraw/zinc/82/88/41/873828841.db2.gz UASUPVDMHMLOMX-UHFFFAOYSA-N 1 0 383.536 3.849 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(C#N)c1Br ZINC000448711121 873835266 /nfs/dbraw/zinc/83/52/66/873835266.db2.gz WYKXSMQYBVJRKG-AWEZNQCLSA-N 1 0 378.314 3.705 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)[C@H]1OC ZINC001170005408 873944564 /nfs/dbraw/zinc/94/45/64/873944564.db2.gz WLJVNLDFWALPAV-MJXNMMHHSA-N 1 0 389.565 3.866 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448778728 873955908 /nfs/dbraw/zinc/95/59/08/873955908.db2.gz WSRYIPLGUXFXMD-CYBMUJFWSA-N 1 0 378.314 3.561 20 30 GHEDRO Cc1ccc(C[N@H+]2C[C@H]3CN(C(=S)Nc4cccc(C#N)c4)C[C@H]3C2)cc1 ZINC001197688716 873983988 /nfs/dbraw/zinc/98/39/88/873983988.db2.gz OAEGUOUEHJKPDF-BGYRXZFFSA-N 1 0 376.529 3.627 20 30 GHEDRO COc1ccc(CC[NH+]2CCC(NC(=S)Nc3cccc(C#N)c3)CC2)cc1 ZINC001197735342 874016667 /nfs/dbraw/zinc/01/66/67/874016667.db2.gz BJDXIHYULWOKJF-UHFFFAOYSA-N 1 0 394.544 3.560 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001197768839 874033666 /nfs/dbraw/zinc/03/36/66/874033666.db2.gz JSVPLGRKAZYUQF-UHFFFAOYSA-N 1 0 387.480 3.738 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000464561948 874080188 /nfs/dbraw/zinc/08/01/88/874080188.db2.gz YNWMVPPEHYAKRE-XMSQKQJNSA-N 1 0 376.504 3.570 20 30 GHEDRO C[C@H](C#N)c1ccc(NC(=O)c2ccc(CN(C)CCC[NH+](C)C)cc2)cc1 ZINC001198021933 874183899 /nfs/dbraw/zinc/18/38/99/874183899.db2.gz PMXFEOBIMFMAOY-GOSISDBHSA-N 1 0 378.520 3.949 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N=Nc3ccnc(Br)c3)CC2)cc1 ZINC000769805626 874299100 /nfs/dbraw/zinc/29/91/00/874299100.db2.gz QHPUONCKGGOPCN-UHFFFAOYSA-N 1 0 384.281 3.780 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000528298259 874356281 /nfs/dbraw/zinc/35/62/81/874356281.db2.gz DZQVDCXANPGMAF-NHCUHLMSSA-N 1 0 395.551 3.662 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)cc1C#N ZINC000769966703 874367969 /nfs/dbraw/zinc/36/79/69/874367969.db2.gz CJLAWEFMJIVHME-INIZCTEOSA-N 1 0 391.471 3.511 20 30 GHEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000541913189 874515683 /nfs/dbraw/zinc/51/56/83/874515683.db2.gz AERNFBYOVWXJJX-QRWLVFNGSA-N 1 0 380.467 3.975 20 30 GHEDRO CC(C)(CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCCCC1 ZINC000476680344 882842871 /nfs/dbraw/zinc/84/28/71/882842871.db2.gz ALYJAHHTSRDNNG-UHFFFAOYSA-N 1 0 398.551 3.812 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1Cl ZINC000770390958 874642471 /nfs/dbraw/zinc/64/24/71/874642471.db2.gz MXVNLVSXOIEONV-IEBWSBKVSA-N 1 0 375.900 3.726 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1Cl ZINC000770390962 874642701 /nfs/dbraw/zinc/64/27/01/874642701.db2.gz MXVNLVSXOIEONV-PKOBYXMFSA-N 1 0 375.900 3.726 20 30 GHEDRO COC(=O)c1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)s1 ZINC000464868717 874646432 /nfs/dbraw/zinc/64/64/32/874646432.db2.gz ZTDHKZFNJKQJNM-UHFFFAOYSA-N 1 0 397.500 3.566 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000476685358 882868325 /nfs/dbraw/zinc/86/83/25/882868325.db2.gz ZHAPTVZZGVIZTO-SFHVURJKSA-N 1 0 385.533 3.949 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)nc1 ZINC001199252261 874874949 /nfs/dbraw/zinc/87/49/49/874874949.db2.gz FAMMDRBROORTNO-WOJBJXKFSA-N 1 0 391.475 3.884 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1 ZINC000528681120 874880283 /nfs/dbraw/zinc/88/02/83/874880283.db2.gz YNXRHNXLIXSHEI-IBGZPJMESA-N 1 0 394.475 3.821 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCO[C@H]2C=C)cc1OC ZINC000449549263 875030630 /nfs/dbraw/zinc/03/06/30/875030630.db2.gz WFWPTBAHVIMTFA-CVEARBPZSA-N 1 0 382.298 3.846 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC001199526792 875035410 /nfs/dbraw/zinc/03/54/10/875035410.db2.gz SLGWXWRTAICFGL-OAHLLOKOSA-N 1 0 382.464 3.678 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cc4c(cc3Cl)OCCO4)CCOCC2)cc1 ZINC000528781121 875053635 /nfs/dbraw/zinc/05/36/35/875053635.db2.gz GTTFBPBPSVPSJI-UHFFFAOYSA-N 1 0 384.863 3.778 20 30 GHEDRO C=CCSc1ncccc1C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001199739806 875159528 /nfs/dbraw/zinc/15/95/28/875159528.db2.gz DJFBRVHYXYXUOU-UHFFFAOYSA-N 1 0 386.496 3.503 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1OC ZINC000449655191 875188303 /nfs/dbraw/zinc/18/83/03/875188303.db2.gz GPYMKAIPIAELHO-QMMLZNLJSA-N 1 0 385.508 3.743 20 30 GHEDRO COc1cc(C)c(C(=O)/C=C/c2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000771524306 875311055 /nfs/dbraw/zinc/31/10/55/875311055.db2.gz HWWWGEFNUUGKNX-JXMROGBWSA-N 1 0 380.488 3.660 20 30 GHEDRO COc1cc(C)c(C(=O)/C=C\c2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000771524308 875311227 /nfs/dbraw/zinc/31/12/27/875311227.db2.gz HWWWGEFNUUGKNX-YFHOEESVSA-N 1 0 380.488 3.660 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000528980419 875371887 /nfs/dbraw/zinc/37/18/87/875371887.db2.gz YTPSARNLYITUSC-FCHUYYIVSA-N 1 0 391.490 3.994 20 30 GHEDRO N#Cc1ccc(C[N@@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000542322131 875383912 /nfs/dbraw/zinc/38/39/12/875383912.db2.gz GECDPTSIBBUFPM-VWNXMTODSA-N 1 0 376.500 3.978 20 30 GHEDRO CCCCCCC[C@@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771769440 875475052 /nfs/dbraw/zinc/47/50/52/875475052.db2.gz QVZLIUOKNYEIJZ-TZIWHRDSSA-N 1 0 380.621 3.793 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1[N+](=O)[O-] ZINC000026347641 875572505 /nfs/dbraw/zinc/57/25/05/875572505.db2.gz XEJHHVOAWYEYSF-UHFFFAOYSA-N 1 0 398.488 3.867 20 30 GHEDRO N#C[C@@]1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC12CCCC2 ZINC000450019696 875827934 /nfs/dbraw/zinc/82/79/34/875827934.db2.gz CKXHFBRFDCYYFA-LADGPHEKSA-N 1 0 377.532 3.975 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1C#N ZINC000529214934 875842107 /nfs/dbraw/zinc/84/21/07/875842107.db2.gz XGVVRKZDLPGPSW-IBGZPJMESA-N 1 0 382.464 3.565 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 ZINC001201762732 875847041 /nfs/dbraw/zinc/84/70/41/875847041.db2.gz SBJMUEAWEHMFHW-JOCHJYFZSA-N 1 0 386.540 3.621 20 30 GHEDRO CCCCCCCC[N@@H+]1C[C@@H](C(=O)N(C)Cc2ccccn2)C[C@H]2OCC[C@H]21 ZINC001201813112 875872126 /nfs/dbraw/zinc/87/21/26/875872126.db2.gz AXDRAWUVPJDBHI-KSEOMHKRSA-N 1 0 387.568 3.880 20 30 GHEDRO CCCCCCC[NH+]1CCC2(C[C@@H](COC)N(C(=O)c3cccn3C)C2)CC1 ZINC001201777585 875874879 /nfs/dbraw/zinc/87/48/79/875874879.db2.gz ZSYSGBIHNOPZMW-FQEVSTJZSA-N 1 0 389.584 3.939 20 30 GHEDRO CCCCCCCCN1CCO[C@H](c2ccnc3c(C(=O)OCC)cnn32)C1 ZINC001201839476 875899769 /nfs/dbraw/zinc/89/97/69/875899769.db2.gz FIKAQIPOWPSTSS-IBGZPJMESA-N 1 0 388.512 3.640 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccccc2C)cc1 ZINC000151908270 876089536 /nfs/dbraw/zinc/08/95/36/876089536.db2.gz QPEJQXNUHCYNKD-UHFFFAOYSA-O 1 0 379.509 3.629 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000120594457 876117094 /nfs/dbraw/zinc/11/70/94/876117094.db2.gz LGWPEMXTJYLDJI-SFHVURJKSA-N 1 0 377.488 3.619 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1OC ZINC001202428738 876220686 /nfs/dbraw/zinc/22/06/86/876220686.db2.gz XLRGZSGHAZHUTJ-IRXDYDNUSA-N 1 0 380.488 3.716 20 30 GHEDRO N#Cc1cnc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000450333371 876272723 /nfs/dbraw/zinc/27/27/23/876272723.db2.gz QDCLCDHNSZPZOW-HNNXBMFYSA-N 1 0 391.353 3.567 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000551003866 883028467 /nfs/dbraw/zinc/02/84/67/883028467.db2.gz IHEULJJRGYZGSA-IQMFZBJNSA-N 1 0 388.471 3.634 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000609334697 883029971 /nfs/dbraw/zinc/02/99/71/883029971.db2.gz BLISWSFPTRLMGY-OAHLLOKOSA-N 1 0 395.347 3.636 20 30 GHEDRO N#Cc1cccc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000450538494 876602460 /nfs/dbraw/zinc/60/24/60/876602460.db2.gz GQYPLASMJONNFE-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](O)c3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000850100098 876664974 /nfs/dbraw/zinc/66/49/74/876664974.db2.gz BUEPXELOMSTWDK-GOSISDBHSA-N 1 0 376.378 3.964 20 30 GHEDRO CC(C)(C#N)CC(=O)O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000786430022 876687796 /nfs/dbraw/zinc/68/77/96/876687796.db2.gz CXMJETKGAGDGLY-RBUKOAKNSA-N 1 0 389.927 3.866 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cccc(C#N)c1 ZINC000609156445 876691913 /nfs/dbraw/zinc/69/19/13/876691913.db2.gz MAEUCSYVQJLMBD-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(C#N)c1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000450697965 876789274 /nfs/dbraw/zinc/78/92/74/876789274.db2.gz OONVDIHOGRYJMI-FZKQIMNGSA-N 1 0 386.293 3.742 20 30 GHEDRO C[C@H](NC(=O)c1ccc(Br)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450754087 876872741 /nfs/dbraw/zinc/87/27/41/876872741.db2.gz HMRSFPZPIXHRKO-KBPBESRZSA-N 1 0 390.325 3.704 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C1CCN(c3ccc(C#N)cc3)CC1)C2 ZINC000850404482 876884411 /nfs/dbraw/zinc/88/44/11/876884411.db2.gz DUEKCLATHNIVQY-UHFFFAOYSA-N 1 0 396.535 3.516 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCn4cncc4C3)cc2F)c1 ZINC000152127253 876921865 /nfs/dbraw/zinc/92/18/65/876921865.db2.gz UTQQULHUKUNBQM-QGZVFWFLSA-N 1 0 390.418 3.674 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(Cl)c1 ZINC000450866754 876993608 /nfs/dbraw/zinc/99/36/08/876993608.db2.gz UBVITUZSNIWQIL-MISYRCLQSA-N 1 0 387.911 3.524 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786892422 877010322 /nfs/dbraw/zinc/01/03/22/877010322.db2.gz RKYJKDBVJUUQCY-LPHOPBHVSA-N 1 0 390.549 3.601 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787029464 877105817 /nfs/dbraw/zinc/10/58/17/877105817.db2.gz XKYRHZMQPUHOTC-KZULUSFZSA-N 1 0 376.428 3.893 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000492584448 877128741 /nfs/dbraw/zinc/12/87/41/877128741.db2.gz VIBBXEOAZCPSBM-KGLIPLIRSA-N 1 0 377.204 3.598 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000492584440 877129295 /nfs/dbraw/zinc/12/92/95/877129295.db2.gz VIBBXEOAZCPSBM-KBPBESRZSA-N 1 0 377.204 3.598 20 30 GHEDRO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677005 877165009 /nfs/dbraw/zinc/16/50/09/877165009.db2.gz BDDZTQSXBHOARY-IBGZPJMESA-N 1 0 394.544 3.842 20 30 GHEDRO CCC(CC)(CNC(=O)C(=O)Nc1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000609956867 877211504 /nfs/dbraw/zinc/21/15/04/877211504.db2.gz ALUKBLYFJKSUCQ-QGZVFWFLSA-N 1 0 392.503 3.523 20 30 GHEDRO C#CC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000787250322 877265661 /nfs/dbraw/zinc/26/56/61/877265661.db2.gz TXKXQOWVTUEWSY-GXTWGEPZSA-N 1 0 392.215 3.521 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000272079102 877313079 /nfs/dbraw/zinc/31/30/79/877313079.db2.gz AHQCXCXLRUUDIJ-HNNXBMFYSA-N 1 0 397.548 3.800 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300102 877747973 /nfs/dbraw/zinc/74/79/73/877747973.db2.gz APIQIRGPYREOSL-HNNXBMFYSA-N 1 0 397.422 3.680 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451340807 877833398 /nfs/dbraw/zinc/83/33/98/877833398.db2.gz KFPQZNINKAEICZ-NBYUQASBSA-N 1 0 376.566 3.667 20 30 GHEDRO N#Cc1ccc(CN(C(=O)CCOCc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001183094287 912279946 /nfs/dbraw/zinc/27/99/46/912279946.db2.gz PGIXVMFRESQDLK-YHBQERECSA-N 1 0 391.515 3.764 20 30 GHEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000179663436 877843382 /nfs/dbraw/zinc/84/33/82/877843382.db2.gz MLAOUTAHKIRQKU-PXNSSMCTSA-N 1 0 377.916 3.834 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000477584626 877891770 /nfs/dbraw/zinc/89/17/70/877891770.db2.gz FPHCOFXHTKCJQF-FQEVSTJZSA-N 1 0 385.552 3.905 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(C#N)c1C ZINC000179731442 877908088 /nfs/dbraw/zinc/90/80/88/877908088.db2.gz VUVOFUIRWLQTQW-ZUOKHONESA-N 1 0 395.459 3.607 20 30 GHEDRO COCCN(C(=O)C[C@H](C#N)c1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC001183107580 912290426 /nfs/dbraw/zinc/29/04/26/912290426.db2.gz YHOUKJMGSXCWNB-CQSZACIVSA-N 1 0 398.334 3.560 20 30 GHEDRO CSc1cccc(NC(=O)[C@@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000852054889 878052885 /nfs/dbraw/zinc/05/28/85/878052885.db2.gz KIIFEAMDXNNTCO-MRXNPFEDSA-N 1 0 399.516 3.623 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)CC1 ZINC000110417721 878088279 /nfs/dbraw/zinc/08/82/79/878088279.db2.gz NOQKWCABRQZOFF-UHFFFAOYSA-N 1 0 377.419 3.918 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000237825266 878098861 /nfs/dbraw/zinc/09/88/61/878098861.db2.gz QVVDNUAMWROKFW-QHCPKHFHSA-N 1 0 379.504 3.532 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000477739905 878114802 /nfs/dbraw/zinc/11/48/02/878114802.db2.gz GJZJWHJYVJBEGW-YLJYHZDGSA-N 1 0 377.479 3.955 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cccc(C#N)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC001183152308 912311897 /nfs/dbraw/zinc/31/18/97/912311897.db2.gz XTYGOGQCUUBJHL-QGZVFWFLSA-N 1 0 380.492 3.634 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000451547009 878122212 /nfs/dbraw/zinc/12/22/12/878122212.db2.gz SRJPMOBBECVNFH-MRXNPFEDSA-N 1 0 398.304 3.573 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460572507 878177713 /nfs/dbraw/zinc/17/77/13/878177713.db2.gz JENSNPPQCOHHSA-TZIWHRDSSA-N 1 0 397.567 3.738 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC000852297388 878206880 /nfs/dbraw/zinc/20/68/80/878206880.db2.gz YWSXBYZSRSEPBN-LJQANCHMSA-N 1 0 384.524 3.812 20 30 GHEDRO COCC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000451696089 878312714 /nfs/dbraw/zinc/31/27/14/878312714.db2.gz RTPQWLNTNBCRSC-GOSISDBHSA-N 1 0 391.393 3.883 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1)CC1CC1 ZINC000537813377 878330353 /nfs/dbraw/zinc/33/03/53/878330353.db2.gz LTDIZLCFYGPBIP-GOSISDBHSA-N 1 0 383.536 3.686 20 30 GHEDRO O=C(N1CCC[C@@H]([C@H]2CCCC[N@H+]2CC#Cc2ccc(F)cc2)C1)C(F)(F)F ZINC000852473107 878349263 /nfs/dbraw/zinc/34/92/63/878349263.db2.gz JDRDNYKMFXNFER-IEBWSBKVSA-N 1 0 396.428 3.833 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180022960 878386863 /nfs/dbraw/zinc/38/68/63/878386863.db2.gz GLMBRROZIFADFL-HKUYNNGSSA-N 1 0 378.476 3.764 20 30 GHEDRO N#CCc1ccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC000852604226 878459982 /nfs/dbraw/zinc/45/99/82/878459982.db2.gz OPXVJYNFZHSZEV-LJQANCHMSA-N 1 0 393.453 3.766 20 30 GHEDRO N#CCc1ccc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC000852604220 878460319 /nfs/dbraw/zinc/46/03/19/878460319.db2.gz OPXVJYNFZHSZEV-IBGZPJMESA-N 1 0 393.453 3.766 20 30 GHEDRO CCOc1ccccc1CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374863470 878511127 /nfs/dbraw/zinc/51/11/27/878511127.db2.gz JMGIUPZGGKQTCE-UHFFFAOYSA-N 1 0 391.515 3.692 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451887313 878622440 /nfs/dbraw/zinc/62/24/40/878622440.db2.gz FRXJEKYJVZENRP-GOSISDBHSA-N 1 0 376.589 3.550 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000852832385 878626065 /nfs/dbraw/zinc/62/60/65/878626065.db2.gz LTPUAIZLNVKWLE-UHFFFAOYSA-N 1 0 383.492 3.692 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000852870264 878639186 /nfs/dbraw/zinc/63/91/86/878639186.db2.gz QUPFHAZHCQWIHO-UHFFFAOYSA-N 1 0 388.393 3.786 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000180287152 878745076 /nfs/dbraw/zinc/74/50/76/878745076.db2.gz XVABKBHNJJSLMC-UHFFFAOYSA-N 1 0 393.318 3.868 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451968825 878748746 /nfs/dbraw/zinc/74/87/46/878748746.db2.gz UTTMVVRQRNRAHC-OAQYLSRUSA-N 1 0 387.549 3.551 20 30 GHEDRO N#CCC[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000245921419 878751343 /nfs/dbraw/zinc/75/13/43/878751343.db2.gz GPACRYOGNQHKKX-FCHUYYIVSA-N 1 0 376.504 3.995 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460942753 878864475 /nfs/dbraw/zinc/86/44/75/878864475.db2.gz DHLWRZPYIJHNAC-LPHOPBHVSA-N 1 0 398.511 3.596 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000177915610 878915169 /nfs/dbraw/zinc/91/51/69/878915169.db2.gz BJFAHYVKOXULNK-INIZCTEOSA-N 1 0 388.581 3.561 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000538192127 879008150 /nfs/dbraw/zinc/00/81/50/879008150.db2.gz UUQZMOAPFPEYBK-UHFFFAOYSA-N 1 0 383.517 3.756 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1ccc(C)cc1 ZINC000068865911 879105376 /nfs/dbraw/zinc/10/53/76/879105376.db2.gz YUMBJMRUOVTUNF-UHFFFAOYSA-O 1 0 379.452 3.822 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1C ZINC001170114683 879169260 /nfs/dbraw/zinc/16/92/60/879169260.db2.gz AKUHOKUGTGMRMU-ZEQRLZLVSA-N 1 0 393.531 3.898 20 30 GHEDRO C=CCCOCCCCC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538297889 879203737 /nfs/dbraw/zinc/20/37/37/879203737.db2.gz FFMHXICNKNZYOK-FQEVSTJZSA-N 1 0 386.536 3.854 20 30 GHEDRO CCOCCOCc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000285769267 912430381 /nfs/dbraw/zinc/43/03/81/912430381.db2.gz SROJLROAMJPTOD-UHFFFAOYSA-N 1 0 393.531 3.870 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000772745540 879305521 /nfs/dbraw/zinc/30/55/21/879305521.db2.gz MAECGMNYTREPGT-VQIMIIECSA-N 1 0 398.617 3.621 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S/C=C/c1ccc([N+](=O)[O-])o1 ZINC000789892953 879340260 /nfs/dbraw/zinc/34/02/60/879340260.db2.gz LUBFMEOEVKZDQQ-NTEUORMPSA-N 1 0 389.481 3.757 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000285814089 912453522 /nfs/dbraw/zinc/45/35/22/912453522.db2.gz ALMXQKZMVRWRNO-GOSISDBHSA-N 1 0 378.438 3.757 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccccc2F)s1 ZINC000180876823 879438530 /nfs/dbraw/zinc/43/85/30/879438530.db2.gz XTJKCXDIEXEBHO-YSGBTYPNSA-N 1 0 385.464 3.731 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452452560 879465805 /nfs/dbraw/zinc/46/58/05/879465805.db2.gz OAUGYYLCZMFZGJ-NRFANRHFSA-N 1 0 376.504 3.649 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000461300127 879563354 /nfs/dbraw/zinc/56/33/54/879563354.db2.gz LYAQYPMYUNYKCS-UHFFFAOYSA-N 1 0 388.475 3.623 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538509485 879630842 /nfs/dbraw/zinc/63/08/42/879630842.db2.gz WLDPAGBCKXWHIY-OAHLLOKOSA-N 1 0 382.435 3.825 20 30 GHEDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)cc1 ZINC000776727602 879707255 /nfs/dbraw/zinc/70/72/55/879707255.db2.gz IBKHKMOORYLHFN-GOSISDBHSA-N 1 0 396.510 3.569 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cc1cccc(C#N)c1 ZINC000531384448 879751505 /nfs/dbraw/zinc/75/15/05/879751505.db2.gz IWXTVMKEJDCBSE-JOCHJYFZSA-N 1 0 375.516 3.690 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)CC2)c1 ZINC000790490877 879761393 /nfs/dbraw/zinc/76/13/93/879761393.db2.gz REPYFZNCVLDHRX-UHFFFAOYSA-N 1 0 375.472 3.938 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc2ccccc2n1CC#N ZINC000609168428 879965739 /nfs/dbraw/zinc/96/57/39/879965739.db2.gz OAUBPQYFNWDGIT-UHFFFAOYSA-N 1 0 396.441 3.647 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(OCC#N)c1 ZINC000265970717 880024964 /nfs/dbraw/zinc/02/49/64/880024964.db2.gz WLCRZHDNQDJXKA-SFHVURJKSA-N 1 0 378.476 3.717 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3ccc(CC#N)cc3C)nc3ccc(C)cc3n12 ZINC001170147802 880174311 /nfs/dbraw/zinc/17/43/11/880174311.db2.gz GXKHZIRJSHEGMP-UHFFFAOYSA-N 1 0 384.487 3.971 20 30 GHEDRO C/C(=N\O)c1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)cc1 ZINC001170148701 880212800 /nfs/dbraw/zinc/21/28/00/880212800.db2.gz PQYJNWGXEHQNJZ-WGOQTCKBSA-N 1 0 388.475 3.794 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cccc4[nH]c(C#N)cc43)nc3ccc(C)cc3n12 ZINC001170151055 880291112 /nfs/dbraw/zinc/29/11/12/880291112.db2.gz VNMOXEBRJGLPEX-UHFFFAOYSA-N 1 0 395.470 3.949 20 30 GHEDRO CNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccc(C(C)(C)C)cc1 ZINC000286097529 912567572 /nfs/dbraw/zinc/56/75/72/912567572.db2.gz CRSNSMZUXSOGDL-UHFFFAOYSA-O 1 0 396.458 3.844 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(F)c(I)c2)CC1 ZINC000453106749 880474821 /nfs/dbraw/zinc/47/48/21/880474821.db2.gz ZXFIATGCECEQTG-GFCCVEGCSA-N 1 0 388.268 3.731 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)cc1 ZINC000113331646 880517439 /nfs/dbraw/zinc/51/74/39/880517439.db2.gz ZIJYEDAUSLWDQB-DEOSSOPVSA-N 1 0 390.527 3.973 20 30 GHEDRO C=CCCOCC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670041316 880569242 /nfs/dbraw/zinc/56/92/42/880569242.db2.gz MUNSCTVLLFDYHM-ZJVRTDGDSA-N 1 0 376.928 3.963 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)C1 ZINC000776822045 880596351 /nfs/dbraw/zinc/59/63/51/880596351.db2.gz LLWRIDODYVYMCY-CZUORRHYSA-N 1 0 394.313 3.667 20 30 GHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000429523800 880629641 /nfs/dbraw/zinc/62/96/41/880629641.db2.gz XTJAUMDRRGIYKI-PMACEKPBSA-N 1 0 398.482 3.591 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000453442614 880904544 /nfs/dbraw/zinc/90/45/44/880904544.db2.gz PMZNEXIORKRNRO-PMACEKPBSA-N 1 0 387.572 3.798 20 30 GHEDRO N#Cc1ccc(OCCC[N@@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792484556 881139912 /nfs/dbraw/zinc/13/99/12/881139912.db2.gz HHHORUGWEGCVAL-UHFFFAOYSA-N 1 0 395.322 3.646 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2)cc1 ZINC000556948033 881188987 /nfs/dbraw/zinc/18/89/87/881188987.db2.gz JZIUNDJAORRHCT-LEWJYISDSA-N 1 0 376.460 3.860 20 30 GHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CC[N@@H+](C)C1 ZINC000187662219 881265333 /nfs/dbraw/zinc/26/53/33/881265333.db2.gz NFEGZYJLERESSK-AWEZNQCLSA-N 1 0 378.929 3.740 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)CC1 ZINC000919965176 881295486 /nfs/dbraw/zinc/29/54/86/881295486.db2.gz YWIDCURKKJYHPZ-UHFFFAOYSA-N 1 0 379.529 3.973 20 30 GHEDRO CCCCCC[N@H+](C)CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000804626236 883134431 /nfs/dbraw/zinc/13/44/31/883134431.db2.gz PMVYKVMIMOPWGB-UHFFFAOYSA-N 1 0 375.488 3.579 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CCCC2)cc1 ZINC000858610750 883231334 /nfs/dbraw/zinc/23/13/34/883231334.db2.gz DXWVNCDGROFOGO-UHFFFAOYSA-N 1 0 388.515 3.546 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729852968 883266870 /nfs/dbraw/zinc/26/68/70/883266870.db2.gz ZGXKCNJLLRDWDH-SIKLNZKXSA-N 1 0 398.466 3.687 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1 ZINC000609526187 883314512 /nfs/dbraw/zinc/31/45/12/883314512.db2.gz FSRSMKWGUVBIIR-HSZRJFAPSA-N 1 0 390.531 3.684 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000184313831 883342997 /nfs/dbraw/zinc/34/29/97/883342997.db2.gz RHIWHTHNPFUWMJ-INIZCTEOSA-N 1 0 396.466 3.903 20 30 GHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C2(c3ccc(C#N)cc3)CCCC2)o1 ZINC000858861817 883412852 /nfs/dbraw/zinc/41/28/52/883412852.db2.gz LBHGNYALEYKEEK-UHFFFAOYSA-N 1 0 379.504 3.862 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000804903966 883468400 /nfs/dbraw/zinc/46/84/00/883468400.db2.gz RVJYMQJSLRLDQB-SJORKVTESA-N 1 0 379.888 3.817 20 30 GHEDRO C=CCN1CCC[C@@H]([NH2+][C@@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1=O ZINC001170472685 883514237 /nfs/dbraw/zinc/51/42/37/883514237.db2.gz BQGDBXVNMQWNOF-AKHDSKFASA-N 1 0 393.572 3.710 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(C)cc(Br)cc2OC)CC1 ZINC000078602428 883524147 /nfs/dbraw/zinc/52/41/47/883524147.db2.gz CANZORNUWGAAFJ-UHFFFAOYSA-N 1 0 396.329 3.928 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCOC(C)(C)C3)sc2C1 ZINC000609766735 883655729 /nfs/dbraw/zinc/65/57/29/883655729.db2.gz KGIQXWDKSWLGIY-AWEZNQCLSA-N 1 0 375.538 3.574 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805274653 883730961 /nfs/dbraw/zinc/73/09/61/883730961.db2.gz SHAVPUSVBSXGRG-FGCOXFRFSA-N 1 0 389.543 3.831 20 30 GHEDRO Cc1nc(CC[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000924627880 883739016 /nfs/dbraw/zinc/73/90/16/883739016.db2.gz FKKHKHXNCHZIPF-HNNXBMFYSA-N 1 0 392.569 3.903 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C3(C2)CCOCC3)cc1C#N ZINC000859325576 883743439 /nfs/dbraw/zinc/74/34/39/883743439.db2.gz SKJABFLZDYOEHL-FQEVSTJZSA-N 1 0 399.535 3.620 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000079215999 883747453 /nfs/dbraw/zinc/74/74/53/883747453.db2.gz XCLUCPSJFWOCRL-GOSISDBHSA-N 1 0 377.598 3.705 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000551424679 883852762 /nfs/dbraw/zinc/85/27/62/883852762.db2.gz NRAVUMUSDPTMSO-SUMWQHHRSA-N 1 0 386.323 3.669 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1F ZINC000805778451 884060290 /nfs/dbraw/zinc/06/02/90/884060290.db2.gz BNWQGASUJWHINZ-VOBQZIQPSA-N 1 0 389.902 3.812 20 30 GHEDRO C#C[C@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1ccc(Cl)cc1F ZINC000805778930 884062302 /nfs/dbraw/zinc/06/23/02/884062302.db2.gz MKDLZRLAQGPYJZ-IBGZPJMESA-N 1 0 391.874 3.910 20 30 GHEDRO C[NH+]1CCC(CNC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000760486190 884162234 /nfs/dbraw/zinc/16/22/34/884162234.db2.gz WPUUCAABLSUFHL-UHFFFAOYSA-N 1 0 380.517 3.979 20 30 GHEDRO Cc1cc(C)cc(OCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000498384618 884242347 /nfs/dbraw/zinc/24/23/47/884242347.db2.gz UYJVZLKLXVBCPI-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000860057178 884299430 /nfs/dbraw/zinc/29/94/30/884299430.db2.gz MSNJPNWYGNUEDO-IBGZPJMESA-N 1 0 393.462 3.969 20 30 GHEDRO C[C@@](C[NH3+])(NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CC1 ZINC000659296696 884327612 /nfs/dbraw/zinc/32/76/12/884327612.db2.gz HLFWHSAKHPAHOS-ZDUSSCGKSA-N 1 0 386.311 3.833 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000556278673 884338819 /nfs/dbraw/zinc/33/88/19/884338819.db2.gz RPJOXYPTOJQMDW-AVRDEDQJSA-N 1 0 390.531 3.749 20 30 GHEDRO N#CC1(CCCOC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCOCC1 ZINC000860425455 884667480 /nfs/dbraw/zinc/66/74/80/884667480.db2.gz IFNAVVYQWSHTJH-OAQYLSRUSA-N 1 0 396.531 3.932 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1Cl ZINC000898287364 884697608 /nfs/dbraw/zinc/69/76/08/884697608.db2.gz VVMMVPFADKNUPL-UHFFFAOYSA-N 1 0 394.924 3.590 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000051473252 884822980 /nfs/dbraw/zinc/82/29/80/884822980.db2.gz WDCQFNFQBRXCBO-FQEVSTJZSA-N 1 0 389.499 3.967 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000106035765 884936739 /nfs/dbraw/zinc/93/67/39/884936739.db2.gz AAUXFXAMEMVPEG-ZWKOTPCHSA-N 1 0 377.326 3.709 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C(C)(C)c2ccc(C#N)cc2)C1 ZINC000860759959 884978549 /nfs/dbraw/zinc/97/85/49/884978549.db2.gz DRAGCHMUZAGASD-UHFFFAOYSA-N 1 0 391.515 3.604 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCCC)c(OC)c2)CC1 ZINC000106260816 885020548 /nfs/dbraw/zinc/02/05/48/885020548.db2.gz ICUJRYQBRQZNNF-KRWDZBQOSA-N 1 0 389.540 3.885 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(Br)c1)CC2 ZINC001275269383 912897937 /nfs/dbraw/zinc/89/79/37/912897937.db2.gz XWSDQKJAIMHDBR-UHFFFAOYSA-N 1 0 377.326 3.840 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccsc1 ZINC000465550447 885107130 /nfs/dbraw/zinc/10/71/30/885107130.db2.gz XLTFXIOANHFDBZ-VAMGGRTRSA-N 1 0 382.533 3.832 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000495339710 885328857 /nfs/dbraw/zinc/32/88/57/885328857.db2.gz BESDDFLQWLKOEP-KRWDZBQOSA-N 1 0 381.476 3.725 20 30 GHEDRO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001168486339 885373693 /nfs/dbraw/zinc/37/36/93/885373693.db2.gz LKLKTIRLWWRACR-GAJHUEQPSA-N 1 0 377.463 3.757 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000807465397 885460377 /nfs/dbraw/zinc/46/03/77/885460377.db2.gz BRKWJGNHKUMULF-QFIPXVFZSA-N 1 0 381.495 3.534 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000807469707 885464979 /nfs/dbraw/zinc/46/49/79/885464979.db2.gz KJCCZRFQWKUDPV-GOTSBHOMSA-N 1 0 381.564 3.919 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000807470296 885465654 /nfs/dbraw/zinc/46/56/54/885465654.db2.gz QCXJECIMFKNMDM-QFIPXVFZSA-N 1 0 381.495 3.534 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)s1 ZINC000532456489 885544020 /nfs/dbraw/zinc/54/40/20/885544020.db2.gz WEJHVHXGDLDERR-KRWDZBQOSA-N 1 0 391.500 3.824 20 30 GHEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000666616756 885583097 /nfs/dbraw/zinc/58/30/97/885583097.db2.gz AHSNRRTVCPLGFG-JQWIXIFHSA-N 1 0 387.299 3.888 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000532469870 885657166 /nfs/dbraw/zinc/65/71/66/885657166.db2.gz QFRLTNCGUZJAQO-NSISKUIASA-N 1 0 377.492 3.583 20 30 GHEDRO C=C(C)COCCNC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000762206190 885695125 /nfs/dbraw/zinc/69/51/25/885695125.db2.gz ITRVQNQJFZOJEA-UHFFFAOYSA-N 1 0 394.947 3.586 20 30 GHEDRO CCC[C@@]1(COC)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000194923542 885715386 /nfs/dbraw/zinc/71/53/86/885715386.db2.gz PWGXAXXBYQSJCH-FQEVSTJZSA-N 1 0 375.538 3.718 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000666911324 885825658 /nfs/dbraw/zinc/82/56/58/885825658.db2.gz RKTQYLAKHYRTFX-SNVBAGLBSA-N 1 0 386.311 3.658 20 30 GHEDRO Cc1cccc(NC(=O)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000532490290 885828991 /nfs/dbraw/zinc/82/89/91/885828991.db2.gz HYBNFHQHDBJXEG-UHFFFAOYSA-N 1 0 378.476 3.734 20 30 GHEDRO Cc1cc(NC(=O)Cc2cccc(C#N)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000532515111 885911026 /nfs/dbraw/zinc/91/10/26/885911026.db2.gz VBZFUMBKCCXIRC-QFIPXVFZSA-N 1 0 399.498 3.691 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000915215923 886027628 /nfs/dbraw/zinc/02/76/28/886027628.db2.gz CZQJSXCMSGMUIQ-PMACEKPBSA-N 1 0 382.467 3.931 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000532566729 886121170 /nfs/dbraw/zinc/12/11/70/886121170.db2.gz GUOFQXHQYWMYSO-HNNXBMFYSA-N 1 0 382.357 3.537 20 30 GHEDRO N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CCO2)c1 ZINC000762385219 886130918 /nfs/dbraw/zinc/13/09/18/886130918.db2.gz RNVVOECIHMZVIT-PKTZIBPZSA-N 1 0 389.499 3.513 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000113317271 886290704 /nfs/dbraw/zinc/29/07/04/886290704.db2.gz XCXODYBNBHBZGV-FQEVSTJZSA-N 1 0 380.879 3.940 20 30 GHEDRO Cc1ccc(Cl)c(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000499045381 886476525 /nfs/dbraw/zinc/47/65/25/886476525.db2.gz ZYZFHSAOEXSTRF-QGZVFWFLSA-N 1 0 399.922 3.878 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1OCCCC#N ZINC000762612109 886515310 /nfs/dbraw/zinc/51/53/10/886515310.db2.gz FOKRDBXHFMIXMV-MNEFBYGVSA-N 1 0 378.563 3.847 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2c(CNC(=[NH2+])Nc3ccccn3)cccc21 ZINC000287050794 913059934 /nfs/dbraw/zinc/05/99/34/913059934.db2.gz IOJMCRVCQRKSRZ-UHFFFAOYSA-N 1 0 381.480 3.696 20 30 GHEDRO CC[NH+]=C(NCc1nc(C(C)C)cs1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000119095208 886634990 /nfs/dbraw/zinc/63/49/90/886634990.db2.gz AMPHTNGKJWWIBG-QGTPRVQTSA-N 1 0 376.570 3.669 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670195633 886684019 /nfs/dbraw/zinc/68/40/19/886684019.db2.gz UFPQTVUPOQFHOG-FPOVZHCZSA-N 1 0 393.535 3.595 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670195635 886684184 /nfs/dbraw/zinc/68/41/84/886684184.db2.gz UFPQTVUPOQFHOG-TZIWHRDSSA-N 1 0 393.535 3.595 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000808707288 886687146 /nfs/dbraw/zinc/68/71/46/886687146.db2.gz KFVZXDRSELWUOW-GHXNOFRVSA-N 1 0 390.483 3.939 20 30 GHEDRO N#CC[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000476526630 886745874 /nfs/dbraw/zinc/74/58/74/886745874.db2.gz UIUFXMILHVFTGN-IBGZPJMESA-N 1 0 377.488 3.669 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)C[C@@H](C)O1 ZINC000556923781 886747785 /nfs/dbraw/zinc/74/77/85/886747785.db2.gz PAIWDVKXIKGTQT-HZPDHXFCSA-N 1 0 389.927 3.563 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001168524910 886752187 /nfs/dbraw/zinc/75/21/87/886752187.db2.gz PVXIDEYLOVAESL-SJORKVTESA-N 1 0 382.426 3.958 20 30 GHEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000808788324 886779865 /nfs/dbraw/zinc/77/98/65/886779865.db2.gz LGPXKUBUNVGFAT-BVYCBKJFSA-N 1 0 391.515 3.782 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000808839127 886860868 /nfs/dbraw/zinc/86/08/68/886860868.db2.gz JOHWJOVAQKNJSI-UHFFFAOYSA-N 1 0 376.476 3.848 20 30 GHEDRO COc1ccc([C@@H]2CC[N@H+](Cn3c(C)nnc3-c3cccc(C#N)c3)C2)cc1F ZINC000863336338 887040128 /nfs/dbraw/zinc/04/01/28/887040128.db2.gz SRTCXRWQHFCPMV-LJQANCHMSA-N 1 0 391.450 3.720 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[C@@H]1C ZINC000488000425 887276218 /nfs/dbraw/zinc/27/62/18/887276218.db2.gz FIRRJTMLGQHXEG-MAUKXSAKSA-N 1 0 389.565 3.964 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000153275454 887346887 /nfs/dbraw/zinc/34/68/87/887346887.db2.gz ZZRDLLWQFUGLOC-HOCLYGCPSA-N 1 0 383.492 3.914 20 30 GHEDRO C[C@H]1C[C@H](N(C)Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000459340810 887484119 /nfs/dbraw/zinc/48/41/19/887484119.db2.gz JCXWKYBKDLGWKY-FXAWDEMLSA-N 1 0 378.476 3.951 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCOc3ccccc3C(F)(F)F)C2)nc1 ZINC000428822610 887650010 /nfs/dbraw/zinc/65/00/10/887650010.db2.gz WHJARLHOKXMURK-HNNXBMFYSA-N 1 0 377.366 3.504 20 30 GHEDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000809779447 887829306 /nfs/dbraw/zinc/82/93/06/887829306.db2.gz NXURYJMIIYWJGU-OAQYLSRUSA-N 1 0 393.487 3.848 20 30 GHEDRO N#CCc1cccnc1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170596715 888127307 /nfs/dbraw/zinc/12/73/07/888127307.db2.gz XDYYNJZGKBBTQM-QHCPKHFHSA-N 1 0 386.499 3.623 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2nc(Cl)c(C#N)s2)cc1 ZINC000287256151 913217173 /nfs/dbraw/zinc/21/71/73/913217173.db2.gz KMLYBAXBSNJSMM-UHFFFAOYSA-N 1 0 378.885 3.532 20 30 GHEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000194408828 888300053 /nfs/dbraw/zinc/30/00/53/888300053.db2.gz BLQMEVORPNWLGF-UHFFFAOYSA-N 1 0 398.894 3.960 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000454287560 888430999 /nfs/dbraw/zinc/43/09/99/888430999.db2.gz AHBJJOVIELWHJE-OAHLLOKOSA-N 1 0 383.521 3.554 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)c2ccccc2)CC1 ZINC000609240016 888452834 /nfs/dbraw/zinc/45/28/34/888452834.db2.gz JKLUMMZFCXENDY-QFIPXVFZSA-N 1 0 394.494 3.970 20 30 GHEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000140202538 888458533 /nfs/dbraw/zinc/45/85/33/888458533.db2.gz UYXVTAQVXFGEME-SFHVURJKSA-N 1 0 380.517 3.978 20 30 GHEDRO COc1ccc(N2CCC([NH2+]C3CCN(c4ccccc4C#N)CC3)CC2)cc1 ZINC000865696063 888519666 /nfs/dbraw/zinc/51/96/66/888519666.db2.gz UPTJAWATVCNOES-UHFFFAOYSA-N 1 0 390.531 3.794 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3CC4(CO3)CCOCC4)c2)c1 ZINC000865781926 888569622 /nfs/dbraw/zinc/56/96/22/888569622.db2.gz URMDRRFFZBNVQE-QHCPKHFHSA-N 1 0 392.499 3.813 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2nc3ccccc3n2C)c1C ZINC000915967249 888585135 /nfs/dbraw/zinc/58/51/35/888585135.db2.gz FYDLMFIKNKIOLK-LJQANCHMSA-N 1 0 378.524 3.922 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1OCCCC#N ZINC000865811165 888591209 /nfs/dbraw/zinc/59/12/09/888591209.db2.gz MWWVDTMOXLDXGJ-UHFFFAOYSA-N 1 0 390.281 3.825 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000195341879 888681337 /nfs/dbraw/zinc/68/13/37/888681337.db2.gz VKQBNAITCSLWJK-CVEARBPZSA-N 1 0 386.496 3.797 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[N@H+](Cc3ccccc3)CC2)nc1C1CC1 ZINC000120848126 888688785 /nfs/dbraw/zinc/68/87/85/888688785.db2.gz SIZWCQCNQYFVER-UHFFFAOYSA-N 1 0 383.565 3.643 20 30 GHEDRO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810656054 888719311 /nfs/dbraw/zinc/71/93/11/888719311.db2.gz HJADTHYOYQEANY-PGRDOPGGSA-N 1 0 384.882 3.812 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc3cnn(C)c3c2)no1 ZINC001211975615 888772332 /nfs/dbraw/zinc/77/23/32/888772332.db2.gz MEMZDKXSCDINEZ-MJGOQNOKSA-N 1 0 383.496 3.701 20 30 GHEDRO C[C@H](OC(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810662347 888785681 /nfs/dbraw/zinc/78/56/81/888785681.db2.gz AVZLRDFLXUCUPQ-RXVVDRJESA-N 1 0 378.472 3.585 20 30 GHEDRO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000454354741 888898336 /nfs/dbraw/zinc/89/83/36/888898336.db2.gz ZIIDAZDORPLVLI-MOPGFXCFSA-N 1 0 376.504 3.783 20 30 GHEDRO N#CCc1ccsc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000866714799 889016187 /nfs/dbraw/zinc/01/61/87/889016187.db2.gz XPQACQQEVYQLHN-UXHICEINSA-N 1 0 379.529 3.941 20 30 GHEDRO CN(C)c1ccccc1CN[NH+]=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000794957312 889058257 /nfs/dbraw/zinc/05/82/57/889058257.db2.gz QUDFJLCFTHNGGU-UHFFFAOYSA-N 1 0 381.480 3.775 20 30 GHEDRO Cc1noc(C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccccc2)n1 ZINC000287387398 913305861 /nfs/dbraw/zinc/30/58/61/913305861.db2.gz IMXPNEBVFHYTJT-JOCHJYFZSA-N 1 0 387.487 3.792 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000532894486 889235711 /nfs/dbraw/zinc/23/57/11/889235711.db2.gz YAAAPKYWEHKRKT-VIHQBZHPSA-N 1 0 397.563 3.987 20 30 GHEDRO C=CC[C@H](C)NC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000454531796 889276918 /nfs/dbraw/zinc/27/69/18/889276918.db2.gz SCONSWWVJYHDND-KRWDZBQOSA-N 1 0 390.959 3.601 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868119394 889304375 /nfs/dbraw/zinc/30/43/75/889304375.db2.gz PUQGSHZWCAWHSY-FGZHOGPDSA-N 1 0 390.487 3.804 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000868179622 889337309 /nfs/dbraw/zinc/33/73/09/889337309.db2.gz WJQQYRDIQCVGPV-HXUWFJFHSA-N 1 0 396.560 3.716 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454644807 889453966 /nfs/dbraw/zinc/45/39/66/889453966.db2.gz OKOPBSVVCRGRLQ-QGZVFWFLSA-N 1 0 378.476 3.553 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cc(Cl)ccc2OCC)CC1 ZINC000124650891 889710710 /nfs/dbraw/zinc/71/07/10/889710710.db2.gz HGUVIRPJKGWJQG-UHFFFAOYSA-N 1 0 379.932 3.621 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C(F)(F)F ZINC001168516902 889842145 /nfs/dbraw/zinc/84/21/45/889842145.db2.gz BVEDRLSOSJBOQN-HZPDHXFCSA-N 1 0 383.414 3.978 20 30 GHEDRO C[C@@H](C#N)CN(C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)C1CC1 ZINC000533138605 889847258 /nfs/dbraw/zinc/84/72/58/889847258.db2.gz NJPNYHOTKDMVLX-KRWDZBQOSA-N 1 0 397.523 3.657 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)COCC(=O)N2C[C@@H](C)CC(F)(F)F ZINC001275329695 913393581 /nfs/dbraw/zinc/39/35/81/913393581.db2.gz DPKQYGIINNXTKV-INIZCTEOSA-N 1 0 376.463 3.625 20 30 GHEDRO CC(C)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000125274491 889932598 /nfs/dbraw/zinc/93/25/98/889932598.db2.gz SOMSKUHWUKAYKL-JOCHJYFZSA-N 1 0 376.504 3.957 20 30 GHEDRO COC(=O)[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000811805182 889989981 /nfs/dbraw/zinc/98/99/81/889989981.db2.gz HOZBDGBNESYVRS-FYYLOGMGSA-N 1 0 391.515 3.664 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1Cc2ccccc2C1 ZINC000533250367 890094816 /nfs/dbraw/zinc/09/48/16/890094816.db2.gz BQJXZIPPLMBJAR-MRXNPFEDSA-N 1 0 379.529 3.976 20 30 GHEDRO CCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533269816 890132611 /nfs/dbraw/zinc/13/26/11/890132611.db2.gz DXLDDPAKHOUERM-AVRDEDQJSA-N 1 0 376.504 3.654 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000811992415 890179137 /nfs/dbraw/zinc/17/91/37/890179137.db2.gz HZMNZZDFSOSBNI-PMACEKPBSA-N 1 0 385.895 3.625 20 30 GHEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000533325518 890280550 /nfs/dbraw/zinc/28/05/50/890280550.db2.gz LKIPDJIIRCXDGD-QGZVFWFLSA-N 1 0 382.426 3.565 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCCN(c2ccccc2C#N)CC1 ZINC000533422395 890522395 /nfs/dbraw/zinc/52/23/95/890522395.db2.gz JSORDRADGOMDLE-INIZCTEOSA-N 1 0 382.895 3.751 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)C2)C1 ZINC000455224961 890598890 /nfs/dbraw/zinc/59/88/90/890598890.db2.gz FHKCKADOZXDKMQ-QFIPXVFZSA-N 1 0 376.460 3.910 20 30 GHEDRO C[C@H](CNc1cc(C(F)(F)F)cc(C#N)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC001184855295 913491874 /nfs/dbraw/zinc/49/18/74/913491874.db2.gz BPIZWWBVMDAQGL-OAHLLOKOSA-N 1 0 389.425 3.595 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(CC#N)ccn1 ZINC000871725410 890992187 /nfs/dbraw/zinc/99/21/87/890992187.db2.gz YSMMFRTXLJLWEA-HXUWFJFHSA-N 1 0 377.492 3.524 20 30 GHEDRO CCN(C(=O)Nc1cc(CC#N)ccn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000871725996 890993640 /nfs/dbraw/zinc/99/36/40/890993640.db2.gz DLDTUDXEIKSPAF-XLIONFOSSA-N 1 0 377.492 3.837 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1 ZINC000812865897 891084568 /nfs/dbraw/zinc/08/45/68/891084568.db2.gz IXEXBOMNJYVVNV-HSZRJFAPSA-N 1 0 380.488 3.781 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)cc1 ZINC000812906421 891091106 /nfs/dbraw/zinc/09/11/06/891091106.db2.gz CNPCRKIFPBDETO-ABHNRTSZSA-N 1 0 397.416 3.605 20 30 GHEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812898344 891114212 /nfs/dbraw/zinc/11/42/12/891114212.db2.gz GARPAWMPVDHFIK-KRWDZBQOSA-N 1 0 378.476 3.598 20 30 GHEDRO C=CC1(CC(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000825586762 891201974 /nfs/dbraw/zinc/20/19/74/891201974.db2.gz KRZVGETVNNNMCU-ROUUACIJSA-N 1 0 393.572 3.521 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000872246322 891216670 /nfs/dbraw/zinc/21/66/70/891216670.db2.gz NLMZQRFQKSZFMO-IBGZPJMESA-N 1 0 385.439 3.868 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)cc1 ZINC001137060671 891268954 /nfs/dbraw/zinc/26/89/54/891268954.db2.gz ZNOMLSFAISKOES-UHFFFAOYSA-N 1 0 391.450 3.965 20 30 GHEDRO N#CCCc1ccc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cc1 ZINC001212037217 891381843 /nfs/dbraw/zinc/38/18/43/891381843.db2.gz DREGHFAFEIVMDL-UHFFFAOYSA-N 1 0 389.565 3.562 20 30 GHEDRO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(C#N)cc1 ZINC001133695796 891448586 /nfs/dbraw/zinc/44/85/86/891448586.db2.gz NPJKDDFONACETR-YADHBBJMSA-N 1 0 387.527 3.816 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC000873183167 891509370 /nfs/dbraw/zinc/50/93/70/891509370.db2.gz XAEQKEGEIXIWBE-LULLPPNCSA-N 1 0 385.508 3.855 20 30 GHEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000873194088 891517897 /nfs/dbraw/zinc/51/78/97/891517897.db2.gz UOPRIKUYIZLEOK-HSZRJFAPSA-N 1 0 382.504 3.588 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497471788 891643815 /nfs/dbraw/zinc/64/38/15/891643815.db2.gz QXEHATNMQQRCHL-QGZVFWFLSA-N 1 0 396.457 3.909 20 30 GHEDRO CC[N@H+](CC(=O)N1CCN(c2cccc(C)c2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594301 891955586 /nfs/dbraw/zinc/95/55/86/891955586.db2.gz VHGOBBRYYDIZJU-HXUWFJFHSA-N 1 0 390.531 3.598 20 30 GHEDRO C#CCN(C(=O)N[C@@H](c1ccccc1)c1ccccc1OC)C1CC[NH+](C)CC1 ZINC000917476142 892037674 /nfs/dbraw/zinc/03/76/74/892037674.db2.gz GCNHJXXICGHIMF-QHCPKHFHSA-N 1 0 391.515 3.524 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@H](CC#N)C(F)(F)F ZINC001134051143 892221759 /nfs/dbraw/zinc/22/17/59/892221759.db2.gz VKHBLFWHNHLAEO-RHSMWYFYSA-N 1 0 383.414 3.514 20 30 GHEDRO CCOc1cc(C#N)cc(Br)c1OC(=O)C1CC[NH+](C(C)C)CC1 ZINC000875037566 892423587 /nfs/dbraw/zinc/42/35/87/892423587.db2.gz HFRYUQZQJASKFH-UHFFFAOYSA-N 1 0 395.297 3.745 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1cccc(C)c1 ZINC000154492088 892446951 /nfs/dbraw/zinc/44/69/51/892446951.db2.gz SIWIUDUZPIKSFL-OAHLLOKOSA-O 1 0 387.525 3.627 20 30 GHEDRO CC(C)c1ccc(NC(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000250581663 913671347 /nfs/dbraw/zinc/67/13/47/913671347.db2.gz VZGBAYHOIYKGCQ-UHFFFAOYSA-N 1 0 381.476 3.636 20 30 GHEDRO C#CCN(C(=O)/C(C)=C/c1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001134265191 892543645 /nfs/dbraw/zinc/54/36/45/892543645.db2.gz BWZHQWADGBSGSC-CCEZHUSRSA-N 1 0 380.410 3.545 20 30 GHEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 ZINC000508691217 892643392 /nfs/dbraw/zinc/64/33/92/892643392.db2.gz WNGFQLQMNSMQIS-UHFFFAOYSA-N 1 0 396.466 3.504 20 30 GHEDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000609268858 892813365 /nfs/dbraw/zinc/81/33/65/892813365.db2.gz GUICFVYORAIWMN-GOSISDBHSA-N 1 0 395.528 3.550 20 30 GHEDRO N#Cc1nc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ccc1Br ZINC001170751314 892847352 /nfs/dbraw/zinc/84/73/52/892847352.db2.gz CRJFWARWVPTTKF-INIZCTEOSA-N 1 0 385.309 3.835 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000933246816 892974931 /nfs/dbraw/zinc/97/49/31/892974931.db2.gz DEMBXDQPAUAZSJ-ZWKOTPCHSA-N 1 0 388.581 3.539 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000814659741 893020119 /nfs/dbraw/zinc/02/01/19/893020119.db2.gz OXMNQCKFRCZQBU-HXUWFJFHSA-N 1 0 386.540 3.564 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC001134624747 893133363 /nfs/dbraw/zinc/13/33/63/893133363.db2.gz UUODWDWKJFWNBY-UHFFFAOYSA-N 1 0 399.535 3.730 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000498076168 893160429 /nfs/dbraw/zinc/16/04/29/893160429.db2.gz DNFVRPYULOIHNB-INIZCTEOSA-N 1 0 381.476 3.533 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)[NH+](C)C)c1 ZINC000455758036 893184051 /nfs/dbraw/zinc/18/40/51/893184051.db2.gz UVGOHBSAMJDSPQ-LJQANCHMSA-N 1 0 386.883 3.839 20 30 GHEDRO COc1cncc(/C=C\CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000563045967 893319486 /nfs/dbraw/zinc/31/94/86/893319486.db2.gz TXZQDGMXIFSKAU-DJWKRKHSSA-N 1 0 390.487 3.716 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876797075 893332128 /nfs/dbraw/zinc/33/21/28/893332128.db2.gz MFNWAZJPMAQBDE-RPWUZVMVSA-N 1 0 375.516 3.919 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)c3cccc4ccccc43)CC2)cc1 ZINC000815008448 893332152 /nfs/dbraw/zinc/33/21/52/893332152.db2.gz FPULPMVYNPUCLN-VWLOTQADSA-N 1 0 385.511 3.953 20 30 GHEDRO CN(CCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1Br ZINC000778213825 893358898 /nfs/dbraw/zinc/35/88/98/893358898.db2.gz GFRVAXXHDUMFDB-UHFFFAOYSA-N 1 0 382.302 3.667 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000876907635 893382714 /nfs/dbraw/zinc/38/27/14/893382714.db2.gz HBPLKYJGPLWFIG-HOTGVXAUSA-N 1 0 392.862 3.789 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000876907630 893382936 /nfs/dbraw/zinc/38/29/36/893382936.db2.gz HBPLKYJGPLWFIG-CVEARBPZSA-N 1 0 392.862 3.789 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)ccc1OC ZINC000877029750 893445936 /nfs/dbraw/zinc/44/59/36/893445936.db2.gz MJOKPWWSRUIURK-TZIWHRDSSA-N 1 0 379.504 3.992 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)c1 ZINC000877095599 893483171 /nfs/dbraw/zinc/48/31/71/893483171.db2.gz RMMANCQBNVQKCQ-CYBMUJFWSA-N 1 0 383.801 3.566 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(C[NH+](C)C)c1 ZINC000288463525 913774763 /nfs/dbraw/zinc/77/47/63/913774763.db2.gz OJRQIZWUVNSOSD-QGZVFWFLSA-N 1 0 380.467 3.532 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675375 893513409 /nfs/dbraw/zinc/51/34/09/893513409.db2.gz HYCXUTQSOKQCOV-MRXNPFEDSA-N 1 0 389.463 3.703 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000877312154 893558375 /nfs/dbraw/zinc/55/83/75/893558375.db2.gz CZKHKEVFUUPIKN-PXNSSMCTSA-N 1 0 379.545 3.712 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877496044 893646091 /nfs/dbraw/zinc/64/60/91/893646091.db2.gz KRLHEIBHOVEDQN-WMLDXEAASA-N 1 0 379.501 3.505 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000934558357 893712591 /nfs/dbraw/zinc/71/25/91/893712591.db2.gz ZUPXEIFIKMJANI-ROUUACIJSA-N 1 0 379.508 3.669 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877612469 893719531 /nfs/dbraw/zinc/71/95/31/893719531.db2.gz QJAFMHBFWFDYJW-IKGGRYGDSA-N 1 0 377.529 3.511 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000877673734 893755105 /nfs/dbraw/zinc/75/51/05/893755105.db2.gz QPJBUCGRDIZNNY-SFHVURJKSA-N 1 0 377.488 3.680 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1C#N ZINC000459568246 893834917 /nfs/dbraw/zinc/83/49/17/893834917.db2.gz LBLOBSXLPIXLTR-KRWDZBQOSA-N 1 0 387.509 3.535 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877825074 893835962 /nfs/dbraw/zinc/83/59/62/893835962.db2.gz WXQBJNQNQYCKQB-DYVFJYSZSA-N 1 0 378.398 3.500 20 30 GHEDRO CCc1ccc(C#CC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000815546251 894012021 /nfs/dbraw/zinc/01/20/21/894012021.db2.gz DPXUHJCWRUAJOD-HSZRJFAPSA-N 1 0 375.516 3.509 20 30 GHEDRO FC(F)C(F)(F)COCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459671271 894039959 /nfs/dbraw/zinc/03/99/59/894039959.db2.gz WGIVKNLINBYBNB-NSHDSACASA-N 1 0 381.332 3.584 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000459707547 894071330 /nfs/dbraw/zinc/07/13/30/894071330.db2.gz JNTXNJOABKCUAT-UHFFFAOYSA-N 1 0 382.302 3.573 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000563740416 894129733 /nfs/dbraw/zinc/12/97/33/894129733.db2.gz WFKWBBNBZZNMLL-UHFFFAOYSA-N 1 0 378.476 3.663 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC001135162292 894132948 /nfs/dbraw/zinc/13/29/48/894132948.db2.gz UIUWWDHMHPQUIJ-PKTZIBPZSA-N 1 0 388.515 3.830 20 30 GHEDRO CC(=O)[C@](C#N)(CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000878271294 894143802 /nfs/dbraw/zinc/14/38/02/894143802.db2.gz DARAPQCTZSIYBV-BJKOFHAPSA-N 1 0 375.516 3.633 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000536963370 894144207 /nfs/dbraw/zinc/14/42/07/894144207.db2.gz BCTHFUOHEDNGSS-SFTDATJTSA-N 1 0 376.504 3.897 20 30 GHEDRO Cc1cc(NC(=O)Cc2cccc(C#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000563804740 894210391 /nfs/dbraw/zinc/21/03/91/894210391.db2.gz NOWHLBOWLHAFRL-UHFFFAOYSA-N 1 0 376.504 3.578 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000935145916 894226703 /nfs/dbraw/zinc/22/67/03/894226703.db2.gz XMVOQUHBHHNCAQ-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000537059429 894251435 /nfs/dbraw/zinc/25/14/35/894251435.db2.gz ICQAPCAMERVGNU-UYAOXDASSA-N 1 0 377.488 3.691 20 30 GHEDRO C=CCCC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000537046822 894263262 /nfs/dbraw/zinc/26/32/62/894263262.db2.gz LSEAUBRJSFNWCN-MRXNPFEDSA-N 1 0 394.357 3.750 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC[C@H]21 ZINC000878432403 894284887 /nfs/dbraw/zinc/28/48/87/894284887.db2.gz DHNDZCJYFBFWMY-FXAWDEMLSA-N 1 0 376.460 3.908 20 30 GHEDRO N#CC1(CC(=O)O[C@@H]2CCC[C@H]2[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000815964840 894339250 /nfs/dbraw/zinc/33/92/50/894339250.db2.gz UCBJFLLHOJDDGD-RTBURBONSA-N 1 0 387.911 3.620 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000537132917 894380378 /nfs/dbraw/zinc/38/03/78/894380378.db2.gz WGZPACQUANWWAW-NRFANRHFSA-N 1 0 386.492 3.992 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000563978794 894392422 /nfs/dbraw/zinc/39/24/22/894392422.db2.gz OSQWXQBNVBWFSZ-LJQANCHMSA-N 1 0 386.927 3.783 20 30 GHEDRO COc1ccc(CCNC(=S)C(C(=O)c2ccccc2)[n+]2ccccc2)cc1 ZINC000022801092 894448864 /nfs/dbraw/zinc/44/88/64/894448864.db2.gz MAWPUANWKWMUQS-UHFFFAOYSA-O 1 0 391.516 3.754 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H](c3ccccc3Cl)N3CCCC3)n2c1 ZINC000537213457 894575502 /nfs/dbraw/zinc/57/55/02/894575502.db2.gz YQHVUKYOOJKJKL-FQEVSTJZSA-N 1 0 379.895 3.786 20 30 GHEDRO C#CCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000878800779 894628734 /nfs/dbraw/zinc/62/87/34/894628734.db2.gz BKSKJJSKLMXAPZ-ZCNNSNEGSA-N 1 0 378.557 3.964 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000537296768 894724210 /nfs/dbraw/zinc/72/42/10/894724210.db2.gz ZUFUSUZKXXPHOJ-ZWKOTPCHSA-N 1 0 397.544 3.830 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]2(C)CCCO)ccc1Cl ZINC000537410836 894932304 /nfs/dbraw/zinc/93/23/04/894932304.db2.gz IXINIAPBPMIXKC-HXUWFJFHSA-N 1 0 377.916 3.522 20 30 GHEDRO CSC1(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC[NH+](C)CC1 ZINC000564601007 895112063 /nfs/dbraw/zinc/11/20/63/895112063.db2.gz GZEAILCQUBDWPI-UHFFFAOYSA-N 1 0 388.581 3.553 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000564670947 895168867 /nfs/dbraw/zinc/16/88/67/895168867.db2.gz WPIXNFOGNGUPAI-OFNKIYASSA-N 1 0 389.499 3.595 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000879670462 895218774 /nfs/dbraw/zinc/21/87/74/895218774.db2.gz QUFJZSFTINQZGI-LERXQTSPSA-N 1 0 383.439 3.922 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565048771 895369335 /nfs/dbraw/zinc/36/93/35/895369335.db2.gz MNVLSNODBIHDMO-OALUTQOASA-N 1 0 377.598 3.623 20 30 GHEDRO COc1cccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccccc2)c1 ZINC000023603530 895394749 /nfs/dbraw/zinc/39/47/49/895394749.db2.gz AGZGWKVWBDSHRW-UHFFFAOYSA-O 1 0 380.493 3.979 20 30 GHEDRO COc1ccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccccc2)cc1 ZINC000023604253 895395567 /nfs/dbraw/zinc/39/55/67/895395567.db2.gz OBZIBTKXAZMJHN-UHFFFAOYSA-O 1 0 380.493 3.979 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H](CF)C2)c1C#N ZINC000880234969 895587494 /nfs/dbraw/zinc/58/74/94/895587494.db2.gz MGAOBXJOLNLFMW-KRWDZBQOSA-N 1 0 386.471 3.628 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000565500761 895678222 /nfs/dbraw/zinc/67/82/22/895678222.db2.gz FQQYLNZYNXKGSG-AUSIDOKSSA-N 1 0 391.515 3.887 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCCOC1 ZINC000880468413 895721894 /nfs/dbraw/zinc/72/18/94/895721894.db2.gz DAJBCAIFPNHCJS-BBWFWOEESA-N 1 0 375.538 3.814 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000565749050 895849731 /nfs/dbraw/zinc/84/97/31/895849731.db2.gz RAJFLXKLGGSPTG-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001170881743 895940197 /nfs/dbraw/zinc/94/01/97/895940197.db2.gz LZDMIYKCBRVDAS-HKUYNNGSSA-N 1 0 387.524 3.810 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnccc1C(F)(F)F ZINC000880973343 896039529 /nfs/dbraw/zinc/03/95/29/896039529.db2.gz LDBFMJDEEOVDOS-UHFFFAOYSA-N 1 0 391.397 3.568 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000880994640 896054412 /nfs/dbraw/zinc/05/44/12/896054412.db2.gz QQVHVGRCDKVORV-UHFFFAOYSA-N 1 0 391.450 3.617 20 30 GHEDRO N#CCc1cccc(NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000881143419 896195053 /nfs/dbraw/zinc/19/50/53/896195053.db2.gz RNDPNBNQFMIIFA-UHFFFAOYSA-N 1 0 377.492 3.571 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400421 896258306 /nfs/dbraw/zinc/25/83/06/896258306.db2.gz SCARFWKOJLTDIP-LJQANCHMSA-N 1 0 383.879 3.544 20 30 GHEDRO C=C(Br)C[NH2+]C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000818978965 896299603 /nfs/dbraw/zinc/29/96/03/896299603.db2.gz CTFJEGMERRRNQE-UYAOXDASSA-N 1 0 390.321 3.960 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)CC2)nc1 ZINC000819007946 896323407 /nfs/dbraw/zinc/32/34/07/896323407.db2.gz IOYQGPXNODDVLA-SFHVURJKSA-N 1 0 391.302 3.552 20 30 GHEDRO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000819010322 896325858 /nfs/dbraw/zinc/32/58/58/896325858.db2.gz BDSQUCPRNZVWDU-FQEVSTJZSA-N 1 0 382.504 3.724 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 ZINC000819049677 896340243 /nfs/dbraw/zinc/34/02/43/896340243.db2.gz FURDZUCMMONUSD-CTNGQTDRSA-N 1 0 387.886 3.638 20 30 GHEDRO Cc1nsc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C#N ZINC000566606591 896415439 /nfs/dbraw/zinc/41/54/39/896415439.db2.gz WXOFGGYBQPTZDC-UHFFFAOYSA-N 1 0 395.532 3.843 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C2CC[NH+](CC)CC2)s1 ZINC000819225593 896519151 /nfs/dbraw/zinc/51/91/51/896519151.db2.gz YOQYCIKNBNGJPC-UHFFFAOYSA-N 1 0 388.002 3.781 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H]([NH+](CC)CC)C2)s1 ZINC000819332032 896575119 /nfs/dbraw/zinc/57/51/19/896575119.db2.gz HWZFKJOIHYEQHD-CQSZACIVSA-N 1 0 388.002 3.781 20 30 GHEDRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]Cc1ccc(C#N)cn1)c1ccccc1 ZINC000819314300 896606897 /nfs/dbraw/zinc/60/68/97/896606897.db2.gz WVTVTRJAGUWJNV-LADGPHEKSA-N 1 0 387.483 3.518 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000882120603 896668511 /nfs/dbraw/zinc/66/85/11/896668511.db2.gz YGDBRGFNCQWWSA-PXNSSMCTSA-N 1 0 375.476 3.594 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)CSc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000566935631 896714307 /nfs/dbraw/zinc/71/43/07/896714307.db2.gz AGAYOJQKGAVJIT-KRWDZBQOSA-N 1 0 387.936 3.765 20 30 GHEDRO C[N@H+](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCC[C@H]1O ZINC001136220908 896721509 /nfs/dbraw/zinc/72/15/09/896721509.db2.gz QGLPMWBGXJLGKY-HMXCVIKNSA-N 1 0 397.906 3.779 20 30 GHEDRO Cc1cc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)ccc1C[NH+](C)C ZINC000819560164 896848310 /nfs/dbraw/zinc/84/83/10/896848310.db2.gz BVBXIHQDEBVFIZ-GOSISDBHSA-N 1 0 388.512 3.582 20 30 GHEDRO COc1cc(C[N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)ccc1SC ZINC000131097834 897321029 /nfs/dbraw/zinc/32/10/29/897321029.db2.gz MFZSXTOWVUDNTB-UHFFFAOYSA-N 1 0 393.516 3.945 20 30 GHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000567692251 897340018 /nfs/dbraw/zinc/34/00/18/897340018.db2.gz QZMPPGRBXBZEPE-KXBFYZLASA-N 1 0 392.421 3.732 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NCc2ccon2)c1 ZINC000131276305 897392070 /nfs/dbraw/zinc/39/20/70/897392070.db2.gz XDKMSGMEWLYDGY-UHFFFAOYSA-O 1 0 394.520 3.924 20 30 GHEDRO CCN(CCC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001136353952 897405502 /nfs/dbraw/zinc/40/55/02/897405502.db2.gz ZNMHHRZWJVJCBY-ISKFKSNPSA-N 1 0 375.516 3.838 20 30 GHEDRO C=CC[NH+]1CCC(Nc2ncc(I)c3ccccc32)CC1 ZINC000820657338 897447108 /nfs/dbraw/zinc/44/71/08/897447108.db2.gz CENPJOQOOQLDOV-UHFFFAOYSA-N 1 0 393.272 3.902 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001136372935 897504104 /nfs/dbraw/zinc/50/41/04/897504104.db2.gz QHBBKMUHOCHFSL-UHFFFAOYSA-N 1 0 389.459 3.669 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000568389155 897802071 /nfs/dbraw/zinc/80/20/71/897802071.db2.gz RUYNVNXEJXRLCF-PXNSSMCTSA-N 1 0 389.565 3.977 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NCC[NH+]3CCCCCC3)cc2)ccn1 ZINC000568699897 898045706 /nfs/dbraw/zinc/04/57/06/898045706.db2.gz MQKQZWJFAGXDJC-UHFFFAOYSA-N 1 0 379.464 3.743 20 30 GHEDRO CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000569009310 898271417 /nfs/dbraw/zinc/27/14/17/898271417.db2.gz UPUDLBUABJKCPZ-ZWKOTPCHSA-N 1 0 378.438 3.684 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000569064861 898315556 /nfs/dbraw/zinc/31/55/56/898315556.db2.gz BIZWQGJZRMINBY-UHFFFAOYSA-N 1 0 386.499 3.596 20 30 GHEDRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000108394152 898379548 /nfs/dbraw/zinc/37/95/48/898379548.db2.gz SLLUUGDHQRVSDI-PXNSSMCTSA-N 1 0 375.488 3.742 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1ccc(OCc2ccccc2)cc1 ZINC001136592397 898409651 /nfs/dbraw/zinc/40/96/51/898409651.db2.gz YDGHJCGXFIJLRA-PMVMPFDFSA-N 1 0 389.499 3.963 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C(C)=N[S@](=O)C(C)(C)C)cc2)cc1 ZINC001170988658 898426304 /nfs/dbraw/zinc/42/63/04/898426304.db2.gz FDFNPOFEUYWJMG-WPEGFHAJSA-N 1 0 399.516 3.781 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000155317532 898607881 /nfs/dbraw/zinc/60/78/81/898607881.db2.gz SZAXUEPJJUHYOX-KNQAVFIVSA-N 1 0 376.504 3.522 20 30 GHEDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000133557389 898612864 /nfs/dbraw/zinc/61/28/64/898612864.db2.gz CDYJPXIOSREHRO-HXUWFJFHSA-N 1 0 394.544 3.847 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)sc2c1CCCCC2 ZINC000569436539 898660058 /nfs/dbraw/zinc/66/00/58/898660058.db2.gz BEKMJEAWKYLNRN-BEVDRBHNSA-N 1 0 399.560 3.764 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000569532910 898755091 /nfs/dbraw/zinc/75/50/91/898755091.db2.gz VJDMUVPSCKSQRV-UHFFFAOYSA-N 1 0 396.926 3.825 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000289657687 914283231 /nfs/dbraw/zinc/28/32/31/914283231.db2.gz DJZCJRZGAVKKGO-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000569668151 898866291 /nfs/dbraw/zinc/86/62/91/898866291.db2.gz AZSPLHPRINJOGA-OAQYLSRUSA-N 1 0 377.488 3.692 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)s2)cc1 ZINC000113952260 899047118 /nfs/dbraw/zinc/04/71/18/899047118.db2.gz JGDAUEIZKZYWBX-ZFWWWQNUSA-N 1 0 386.521 3.538 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)s2)cc1 ZINC000113952258 899047204 /nfs/dbraw/zinc/04/72/04/899047204.db2.gz JGDAUEIZKZYWBX-HIFRSBDPSA-N 1 0 386.521 3.538 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cc1 ZINC001136727809 899054596 /nfs/dbraw/zinc/05/45/96/899054596.db2.gz ZVUJLSMHAIWVTL-VAWYXSNFSA-N 1 0 398.547 3.664 20 30 GHEDRO Cc1cc(OCc2ccccc2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884141945 899061046 /nfs/dbraw/zinc/06/10/46/899061046.db2.gz NKZPMMLRCCZUKZ-FVRICEFQSA-N 1 0 375.472 3.652 20 30 GHEDRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884143374 899067562 /nfs/dbraw/zinc/06/75/62/899067562.db2.gz FXFYKSUKRCRAJW-IDPGXWOASA-N 1 0 379.529 3.596 20 30 GHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000570088086 899116205 /nfs/dbraw/zinc/11/62/05/899116205.db2.gz PGVPCQNOPVZHSR-CYBMUJFWSA-N 1 0 386.418 3.741 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000570100369 899124912 /nfs/dbraw/zinc/12/49/12/899124912.db2.gz NDFDWGKFWGETDZ-UHFFFAOYSA-N 1 0 394.544 3.734 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3ccccc3nc1OC)CC2 ZINC001137203921 899129253 /nfs/dbraw/zinc/12/92/53/899129253.db2.gz QMUCLBBHBWSLBM-QHCPKHFHSA-N 1 0 379.504 3.777 20 30 GHEDRO CCc1cccc(Oc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cn2)c1 ZINC000884195504 899312742 /nfs/dbraw/zinc/31/27/42/899312742.db2.gz OSSSKTHWFODTTF-JQHMZKTJSA-N 1 0 376.460 3.514 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884226368 899427031 /nfs/dbraw/zinc/42/70/31/899427031.db2.gz QSFPWONAAYVTIW-AVHZRVKJSA-N 1 0 394.544 3.777 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000332148904 899437261 /nfs/dbraw/zinc/43/72/61/899437261.db2.gz MNSKBRUUSQQFMA-GOSISDBHSA-N 1 0 375.488 3.768 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(C#N)ccc1F ZINC000824381111 899573764 /nfs/dbraw/zinc/57/37/64/899573764.db2.gz SZFGCQXWMLPEIJ-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000332509340 899721028 /nfs/dbraw/zinc/72/10/28/899721028.db2.gz CTXIYZMXRXSWNM-WIYYLYMNSA-N 1 0 397.544 3.540 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(F)cc1Nc1ccccc1F)C2 ZINC000884318694 899781413 /nfs/dbraw/zinc/78/14/13/899781413.db2.gz CQLMUWSYCIQUTI-GJGORFQUSA-N 1 0 382.414 3.786 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1(c3ccc(Cl)cc3Cl)CCC1)C2 ZINC000884324008 899796238 /nfs/dbraw/zinc/79/62/38/899796238.db2.gz FATKXOKXBILEFE-LQZXRHCMSA-N 1 0 392.330 3.671 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000571441647 899869858 /nfs/dbraw/zinc/86/98/58/899869858.db2.gz YHOMUWQYYAPZAP-ROUUACIJSA-N 1 0 391.490 3.850 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000824925895 899891045 /nfs/dbraw/zinc/89/10/45/899891045.db2.gz IHBBOMJRGFYFNG-UHFFFAOYSA-N 1 0 382.891 3.746 20 30 GHEDRO Cc1ccc2[nH]c(-c3ccccc3NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)nc2c1 ZINC000884381522 899989263 /nfs/dbraw/zinc/98/92/63/899989263.db2.gz IJRHRBDQOJCLAG-PMFMOCITSA-N 1 0 385.471 3.616 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000825337994 900101432 /nfs/dbraw/zinc/10/14/32/900101432.db2.gz KOIWFKZONQQAFY-IBGZPJMESA-N 1 0 389.293 3.955 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000805898138 900150701 /nfs/dbraw/zinc/15/07/01/900150701.db2.gz AKHGVIJZWXLQJC-CYBMUJFWSA-N 1 0 395.381 3.646 20 30 GHEDRO CCc1nc(C#N)cc(N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000884592539 900186178 /nfs/dbraw/zinc/18/61/78/900186178.db2.gz QJCNZCWALAXTQY-LJQANCHMSA-N 1 0 391.519 3.536 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000135318801 900221482 /nfs/dbraw/zinc/22/14/82/900221482.db2.gz LWFJPKBXJGQEGB-QFBILLFUSA-N 1 0 396.466 3.903 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]([NH+](C)C)CC2)c1C#N ZINC000573047786 900351244 /nfs/dbraw/zinc/35/12/44/900351244.db2.gz PMSMTXCPZWNNLE-LJQANCHMSA-N 1 0 399.583 3.836 20 30 GHEDRO Cc1nc(-c2c[nH]c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)cs1 ZINC000047011204 900750795 /nfs/dbraw/zinc/75/07/95/900750795.db2.gz LHUFEGYLHNXVOT-UHFFFAOYSA-N 1 0 393.516 3.522 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC000844354357 900757535 /nfs/dbraw/zinc/75/75/35/900757535.db2.gz IPIORHYUAXCDIX-VSKRKVRLSA-N 1 0 398.547 3.822 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844377474 900805583 /nfs/dbraw/zinc/80/55/83/900805583.db2.gz WOVAAAMKYDXLON-OAQYLSRUSA-N 1 0 383.879 3.524 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCc2ccccc21 ZINC000844425042 900827806 /nfs/dbraw/zinc/82/78/06/900827806.db2.gz NTTGTUWIAJGOED-OXQOHEQNSA-N 1 0 382.467 3.885 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(CC3(F)F)C2)sc2c1CCCC2 ZINC000844432477 900853775 /nfs/dbraw/zinc/85/37/75/900853775.db2.gz AFLSBMIEYOUKFX-GOSISDBHSA-N 1 0 379.476 3.948 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccccc1C#N ZINC000056159827 900870485 /nfs/dbraw/zinc/87/04/85/900870485.db2.gz CRRSIUSZOVOYDS-GJZGRUSLSA-N 1 0 391.475 3.520 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cc(F)c(OCC)c(F)c3)C2)C1 ZINC001144023455 900942220 /nfs/dbraw/zinc/94/22/20/900942220.db2.gz WCDPTSAZTMGZFC-NRFANRHFSA-N 1 0 394.462 3.974 20 30 GHEDRO N#Cc1cncc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c1 ZINC001144079998 901048774 /nfs/dbraw/zinc/04/87/74/901048774.db2.gz RTRMTWRAIUZTNH-QFIPXVFZSA-N 1 0 386.499 3.529 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000046938102 901173598 /nfs/dbraw/zinc/17/35/98/901173598.db2.gz IAGJNYSSUASQHX-JOCHJYFZSA-N 1 0 390.531 3.752 20 30 GHEDRO C#CCN(C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)C1CC[NH+](C)CC1 ZINC000886585091 901178527 /nfs/dbraw/zinc/17/85/27/901178527.db2.gz HMIOPDLZIVALFP-UHFFFAOYSA-N 1 0 395.450 3.793 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3cncc4ccccc43)CC2)c1 ZINC000845002191 901631854 /nfs/dbraw/zinc/63/18/54/901631854.db2.gz HIALZJQTEUYNAL-UHFFFAOYSA-N 1 0 398.510 3.820 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000333321758 902005288 /nfs/dbraw/zinc/00/52/88/902005288.db2.gz PMEWXFKJDMPSPX-KRWDZBQOSA-N 1 0 378.520 3.565 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1Br ZINC000333344688 902023278 /nfs/dbraw/zinc/02/32/78/902023278.db2.gz QIAQUNZLNHTQPZ-YOEHRIQHSA-N 1 0 391.313 3.707 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000576494418 902054916 /nfs/dbraw/zinc/05/49/16/902054916.db2.gz HAUXNXJXVHJBIY-DYESRHJHSA-N 1 0 379.529 3.571 20 30 GHEDRO CC[N@H+](CCCNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC000845364189 902092824 /nfs/dbraw/zinc/09/28/24/902092824.db2.gz YGHIXXZJIXFAAP-QFIPXVFZSA-N 1 0 398.551 3.686 20 30 GHEDRO C[C@@]1(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@]1(F)Cl ZINC000845405979 902108931 /nfs/dbraw/zinc/10/89/31/902108931.db2.gz UIQUTMVZKPFYTC-WOJBJXKFSA-N 1 0 392.906 3.527 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(OC)c3)C2)C1 ZINC001144478729 902242458 /nfs/dbraw/zinc/24/24/58/902242458.db2.gz MWJLCEISLMRXOK-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001171194616 902280001 /nfs/dbraw/zinc/28/00/01/902280001.db2.gz KXYJFGSHJNMKDZ-QGZVFWFLSA-N 1 0 379.479 3.770 20 30 GHEDRO Cn1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(-c2ccc(F)cc2)n1 ZINC000576910996 902351739 /nfs/dbraw/zinc/35/17/39/902351739.db2.gz UDYZWZIZPGPDBK-UHFFFAOYSA-N 1 0 375.451 3.679 20 30 GHEDRO C#Cc1ccc(C[N@@H+](CCOCC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001144581671 902388599 /nfs/dbraw/zinc/38/85/99/902388599.db2.gz XRMMWMUKORDLEI-UHFFFAOYSA-N 1 0 386.536 3.906 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)cc1 ZINC001144581010 902392525 /nfs/dbraw/zinc/39/25/25/902392525.db2.gz KGLCGKJPBRAKIU-UHFFFAOYSA-N 1 0 397.316 3.825 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)cc1 ZINC001144572253 902403553 /nfs/dbraw/zinc/40/35/53/902403553.db2.gz VQWNTIFJORPSER-LOSJGSFVSA-N 1 0 390.527 3.959 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000577161997 902554538 /nfs/dbraw/zinc/55/45/38/902554538.db2.gz DIUSSWWTZAHUAD-HDICACEKSA-N 1 0 376.460 3.814 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CCOC1 ZINC000577201720 902584697 /nfs/dbraw/zinc/58/46/97/902584697.db2.gz KBDHMLBLKJSTBG-GJZGRUSLSA-N 1 0 375.538 3.572 20 30 GHEDRO C[C@@H]1C[C@@H](C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000846007015 902589065 /nfs/dbraw/zinc/58/90/65/902589065.db2.gz MJTIPUQDKGCBLL-KPFFTGBYSA-N 1 0 387.524 3.559 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)cc1 ZINC000846054865 902641026 /nfs/dbraw/zinc/64/10/26/902641026.db2.gz DOKUVGWXNFIHEN-YRNRMSPPSA-N 1 0 380.492 3.939 20 30 GHEDRO CC1([N@H+](Cc2ccc3c(c2)OCO3)Cc2cnc3c(C#N)cnn3c2)CCCC1 ZINC000577280773 902643615 /nfs/dbraw/zinc/64/36/15/902643615.db2.gz NZKRYAJAHFVNCS-UHFFFAOYSA-N 1 0 389.459 3.665 20 30 GHEDRO C=CCCCCCNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000577290479 902652550 /nfs/dbraw/zinc/65/25/50/902652550.db2.gz OTQLLVDDCLDMNN-UHFFFAOYSA-N 1 0 378.605 3.571 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](Cc2ccccc2)c2ccccc2)CCOCC1 ZINC000600731109 902854273 /nfs/dbraw/zinc/85/42/73/902854273.db2.gz UVNQCACUSVPXNW-GOTSBHOMSA-N 1 0 378.516 3.674 20 30 GHEDRO Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c(Oc2ccccc2)c1 ZINC000600731818 902855284 /nfs/dbraw/zinc/85/52/84/902855284.db2.gz UWPPSUMSKRNWNL-FQEVSTJZSA-N 1 0 380.488 3.948 20 30 GHEDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000600733929 902857682 /nfs/dbraw/zinc/85/76/82/902857682.db2.gz LRHVIKSPIRTSLT-KDOFPFPSSA-N 1 0 378.394 3.710 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CCOCC1 ZINC000600735133 902857902 /nfs/dbraw/zinc/85/79/02/902857902.db2.gz MRKXAWSFSMDXEV-FQEVSTJZSA-N 1 0 398.478 3.566 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001171230606 903038273 /nfs/dbraw/zinc/03/82/73/903038273.db2.gz FHGNYSLXMFDYLJ-AWEZNQCLSA-N 1 0 389.425 3.557 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3snc(Cl)c3Cl)CC2)c1 ZINC000846612789 903092951 /nfs/dbraw/zinc/09/29/51/903092951.db2.gz ZLZVNRAEFXLFRU-UHFFFAOYSA-N 1 0 395.315 3.716 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ccccc2O1 ZINC000577715183 903095458 /nfs/dbraw/zinc/09/54/58/903095458.db2.gz NMYPNQKNZPCCEI-DYESRHJHSA-N 1 0 392.503 3.544 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000133061434 903341439 /nfs/dbraw/zinc/34/14/39/903341439.db2.gz UGTCZJJYCOJOII-SJORKVTESA-N 1 0 382.426 3.845 20 30 GHEDRO COc1c(C)c(C)c(Br)c(NC(=[NH2+])c2ccc(C(N)=O)cc2)c1C ZINC001171258522 903345935 /nfs/dbraw/zinc/34/59/35/903345935.db2.gz BQTIVPCEXDEBAM-UHFFFAOYSA-N 1 0 390.281 3.519 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000601148633 903391954 /nfs/dbraw/zinc/39/19/54/903391954.db2.gz FZMIMYFICPCUPG-NRFANRHFSA-N 1 0 386.448 3.556 20 30 GHEDRO N#CC1(Nc2ncnc3c(Cl)nccc23)CC[NH+](Cc2ccccc2)CC1 ZINC001171274473 903466408 /nfs/dbraw/zinc/46/64/08/903466408.db2.gz JVPSQRKGNFKPAZ-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO N#CC1(Nc2cc(N)cc(C(F)(F)F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001171275374 903475012 /nfs/dbraw/zinc/47/50/12/903475012.db2.gz ZASSFJWLARJDDV-UHFFFAOYSA-N 1 0 375.398 3.653 20 30 GHEDRO N#CC1(Nc2cc(N)c(C(F)(F)F)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC001171275357 903475210 /nfs/dbraw/zinc/47/52/10/903475210.db2.gz YJZXGIQCCZQODM-UHFFFAOYSA-N 1 0 375.398 3.653 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000578052728 903478929 /nfs/dbraw/zinc/47/89/29/903478929.db2.gz ZGYXTUUUCPKECG-XMMPIXPASA-N 1 0 391.563 3.909 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NC[C@H]2CCCCO2)cc1 ZINC000134213363 903481340 /nfs/dbraw/zinc/48/13/40/903481340.db2.gz BNYQGOMMNLHFBH-LJQANCHMSA-O 1 0 383.537 3.634 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001146419614 903533654 /nfs/dbraw/zinc/53/36/54/903533654.db2.gz MVNMJKMFYXJGFZ-MOPGFXCFSA-N 1 0 395.588 3.864 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCC[NH+](C)C ZINC001146419574 903533714 /nfs/dbraw/zinc/53/37/14/903533714.db2.gz LNAXUKSYLZXFFQ-SFHVURJKSA-N 1 0 383.577 3.864 20 30 GHEDRO Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1N1CCOCC1 ZINC001171278213 903554945 /nfs/dbraw/zinc/55/49/45/903554945.db2.gz ZBFJYEPRBMYRSJ-UHFFFAOYSA-N 1 0 390.531 3.802 20 30 GHEDRO C=CCCCNC(=O)[C@H]([NH2+]Cc1ccccc1)C(C)(C)NC(=O)OC(C)(C)C ZINC001146585397 903559844 /nfs/dbraw/zinc/55/98/44/903559844.db2.gz KIHAVORENCVRNL-SFHVURJKSA-N 1 0 389.540 3.531 20 30 GHEDRO N#Cc1ccc([C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CCO2)cc1 ZINC000887727016 903661825 /nfs/dbraw/zinc/66/18/25/903661825.db2.gz CDLHTJWHLLHCGW-HSZRJFAPSA-N 1 0 389.499 3.758 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000887727533 903663401 /nfs/dbraw/zinc/66/34/01/903663401.db2.gz NLFDCRCDMNGUTL-QFIPXVFZSA-N 1 0 377.488 3.614 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC001147335676 903759923 /nfs/dbraw/zinc/75/99/23/903759923.db2.gz HARXYYHCSBDVJR-UHFFFAOYSA-N 1 0 399.182 3.933 20 30 GHEDRO Cn1cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc21 ZINC001148196152 903998156 /nfs/dbraw/zinc/99/81/56/903998156.db2.gz RQAPOIQVUGJVOZ-MXVIHJGJSA-N 1 0 386.499 3.962 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(O[C@@H]2CCOC2)c1 ZINC000150767805 904019030 /nfs/dbraw/zinc/01/90/30/904019030.db2.gz CBAAKZBEWUUALF-JOCHJYFZSA-N 1 0 379.504 3.802 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000151378247 904118415 /nfs/dbraw/zinc/11/84/15/904118415.db2.gz TXGKNUZIPAVGIV-XMSQKQJNSA-N 1 0 391.519 3.951 20 30 GHEDRO C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001148614328 904139847 /nfs/dbraw/zinc/13/98/47/904139847.db2.gz RJHJLFROYIQIDA-IBGZPJMESA-N 1 0 388.515 3.837 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171354768 904346166 /nfs/dbraw/zinc/34/61/66/904346166.db2.gz MJYRUQNYJYOCHH-NRFANRHFSA-N 1 0 381.470 3.948 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171394850 904491646 /nfs/dbraw/zinc/49/16/46/904491646.db2.gz VILQTHPZJLQWJL-AWEZNQCLSA-N 1 0 395.260 3.727 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccc4ccccc4c3)CC2)cc1 ZINC000037110425 904566759 /nfs/dbraw/zinc/56/67/59/904566759.db2.gz QIYGXAFVXUAYCG-UHFFFAOYSA-N 1 0 398.510 3.858 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C#N)s2)C[C@H]1C(C)(C)C ZINC001171593056 904820028 /nfs/dbraw/zinc/82/00/28/904820028.db2.gz IOKHILPHLXKAEO-HIFRSBDPSA-N 1 0 378.542 3.919 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC001171920574 905149595 /nfs/dbraw/zinc/14/95/95/905149595.db2.gz JCOWYEIWEKPUEI-SJLPKXTDSA-N 1 0 384.442 3.968 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC(C)(C(=O)OCC)CC1)CCO2 ZINC001171955568 905160772 /nfs/dbraw/zinc/16/07/72/905160772.db2.gz NUZMUTOPFBYGEY-XMCAMKFCSA-N 1 0 379.541 3.572 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090933 905310085 /nfs/dbraw/zinc/31/00/85/905310085.db2.gz XXBGVNJVZAFPAC-MYDTUXCISA-N 1 0 397.563 3.949 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172209874 905408315 /nfs/dbraw/zinc/40/83/15/905408315.db2.gz VBHCDPGDNIBNKS-FQEVSTJZSA-N 1 0 392.528 3.861 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C)C(C)C ZINC000627073206 905411790 /nfs/dbraw/zinc/41/17/90/905411790.db2.gz GUOJDZGFLTXQAJ-UTKZUKDTSA-N 1 0 398.551 3.977 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801578819 921153499 /nfs/dbraw/zinc/15/34/99/921153499.db2.gz GCFIGSODPZSOTI-XXBNENTESA-N 1 0 398.572 3.677 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F ZINC001172302574 905454390 /nfs/dbraw/zinc/45/43/90/905454390.db2.gz MCFGEBNLYRSTDP-AYOQOUSVSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001172302350 905454805 /nfs/dbraw/zinc/45/48/05/905454805.db2.gz IFAWJGVQFYDSCK-WMLDXEAASA-N 1 0 379.451 3.724 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001172309901 905466970 /nfs/dbraw/zinc/46/69/70/905466970.db2.gz WBDCKORARPAUKZ-ZPZUNKDASA-N 1 0 389.543 3.507 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001172310523 905467384 /nfs/dbraw/zinc/46/73/84/905467384.db2.gz ZOPNDSRZKFEUIZ-NGYIFUPDSA-N 1 0 391.515 3.834 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172312821 905469257 /nfs/dbraw/zinc/46/92/57/905469257.db2.gz JVQKEKNJUYRVRH-MBSDFSHPSA-N 1 0 391.515 3.782 20 30 GHEDRO CCCCCCC[C@@H](CC)N1Cc2nccn2C[C@H](C[NH+]2CCN(C)CC2)C1 ZINC001172355308 905524270 /nfs/dbraw/zinc/52/42/70/905524270.db2.gz NUMSPFQCOOBPNG-FCHUYYIVSA-N 1 0 389.632 3.701 20 30 GHEDRO CCCCCCC[C@H](CC)N(C1CC[NH2+]CC1)S(=O)(=O)c1cccnc1 ZINC001172361916 905529182 /nfs/dbraw/zinc/52/91/82/905529182.db2.gz PBCLAKZSGFFNDB-SFHVURJKSA-N 1 0 381.586 3.963 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001172479752 905556569 /nfs/dbraw/zinc/55/65/69/905556569.db2.gz KODPSTDLJFEAMG-ROUUACIJSA-N 1 0 379.545 3.855 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC(c2nc3ccc(Br)cn3n2)CC1 ZINC001172496796 905598701 /nfs/dbraw/zinc/59/87/01/905598701.db2.gz QXPRWUINFBWUNN-ZDUSSCGKSA-N 1 0 376.302 3.754 20 30 GHEDRO C[C@H](CCCC#N)N(CC1CC1)c1nc(C2CC[NH2+]CC2)cc2c1ncn2C ZINC001172496060 905598771 /nfs/dbraw/zinc/59/87/71/905598771.db2.gz WYYWNIUTJOBSBR-MRXNPFEDSA-N 1 0 380.540 3.734 20 30 GHEDRO CCCCCCC[C@H](CCC)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2 ZINC001172510362 905603776 /nfs/dbraw/zinc/60/37/76/905603776.db2.gz ANNGUBQRALBBCA-KRWDZBQOSA-N 1 0 376.545 3.660 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)CC1 ZINC000176267495 905803106 /nfs/dbraw/zinc/80/31/06/905803106.db2.gz VLFKJKLDLSIFHE-FQEVSTJZSA-N 1 0 399.560 3.644 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001172797978 905870811 /nfs/dbraw/zinc/87/08/11/905870811.db2.gz KGFKAFJRAHAVNT-FPDPHYFHSA-N 1 0 395.503 3.816 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C[C@H]1C#N ZINC001172968034 906029277 /nfs/dbraw/zinc/02/92/77/906029277.db2.gz HCFVKHUNNYYUME-SQNIBIBYSA-N 1 0 393.915 3.645 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H]1C#N ZINC001172970883 906032621 /nfs/dbraw/zinc/03/26/21/906032621.db2.gz JKTFIVOQGRIIAP-ICSRJNTNSA-N 1 0 384.524 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)no2)C[C@H]1C#N ZINC001172972083 906034461 /nfs/dbraw/zinc/03/44/61/906034461.db2.gz WDGUAFFIUXLGFN-IRXDYDNUSA-N 1 0 382.464 3.723 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(c3ccc(F)cc3F)CC2)C[C@H]1C#N ZINC001172981518 906047433 /nfs/dbraw/zinc/04/74/33/906047433.db2.gz MCFAHKYYBLPGFH-CABCVRRESA-N 1 0 377.435 3.835 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](N2CCCC[C@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986555 906051597 /nfs/dbraw/zinc/05/15/97/906051597.db2.gz XKJWLOFTHORNRX-ZCNNSNEGSA-N 1 0 390.572 3.618 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173039494 906112210 /nfs/dbraw/zinc/11/22/10/906112210.db2.gz PXNSOYSWCGXRIU-OAQYLSRUSA-N 1 0 394.515 3.883 20 30 GHEDRO C=CCOC1CCC([N@@H+]2Cc3c(cnn3CC)[C@@H](COc3cccnc3)C2)CC1 ZINC001173325013 906373441 /nfs/dbraw/zinc/37/34/41/906373441.db2.gz XKIACRYBFZNOEH-XEVCZEQESA-N 1 0 396.535 3.790 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001173326151 906373712 /nfs/dbraw/zinc/37/37/12/906373712.db2.gz WBHZWRJHAQAWFF-UYSNPLJNSA-N 1 0 385.430 3.852 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)CC1 ZINC001173335219 906377360 /nfs/dbraw/zinc/37/73/60/906377360.db2.gz FYDQZIYDUGAFCB-IXFUEQBVSA-N 1 0 383.536 3.942 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)CC1 ZINC001173334930 906378279 /nfs/dbraw/zinc/37/82/79/906378279.db2.gz ASKDEEVXOUYDOY-KLXIGZAZSA-N 1 0 387.499 3.943 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)CC1 ZINC001173335410 906379391 /nfs/dbraw/zinc/37/93/91/906379391.db2.gz LKDZJZMAOIYGFU-OBFZPWGMSA-N 1 0 386.515 3.612 20 30 GHEDRO COCC[N@H+](C1CCC(CC#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173341362 906381332 /nfs/dbraw/zinc/38/13/32/906381332.db2.gz UQOQUWBYUIQZIG-CTWPCTMYSA-N 1 0 379.545 3.807 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001173315353 906387141 /nfs/dbraw/zinc/38/71/41/906387141.db2.gz LBDHUCHEJNIZFT-GTPINHCMSA-N 1 0 388.499 3.982 20 30 GHEDRO C=CCOC1CCC([NH2+]CCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001173316945 906389599 /nfs/dbraw/zinc/38/95/99/906389599.db2.gz PITXXAFIBSQDDB-UHFFFAOYSA-N 1 0 384.476 3.533 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001173375962 906405056 /nfs/dbraw/zinc/40/50/56/906405056.db2.gz BAIYWWIPGNWGMA-AKHDSKFASA-N 1 0 391.552 3.800 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000777339639 906423677 /nfs/dbraw/zinc/42/36/77/906423677.db2.gz ZUVBQUQGFHHAGG-QFIPXVFZSA-N 1 0 393.487 3.575 20 30 GHEDRO N#C[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001173397462 906425032 /nfs/dbraw/zinc/42/50/32/906425032.db2.gz WOFKEXIOUZWVPZ-OAHLLOKOSA-N 1 0 390.325 3.679 20 30 GHEDRO Cc1ccc2c(c1)c(CC[NH3+])cn2C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422659 906458248 /nfs/dbraw/zinc/45/82/48/906458248.db2.gz UILSLFBDHTYIQW-UHFFFAOYSA-N 1 0 386.499 3.800 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)ccc1F ZINC001173424197 906459933 /nfs/dbraw/zinc/45/99/33/906459933.db2.gz DOEFQCQIDWPEMA-HNNXBMFYSA-N 1 0 381.451 3.661 20 30 GHEDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccc(C#N)cc3)CC1)CCO2 ZINC001173425045 906460231 /nfs/dbraw/zinc/46/02/31/906460231.db2.gz NJEYGIGCTOBZDI-OAQYLSRUSA-N 1 0 375.472 3.585 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC001173426297 906461913 /nfs/dbraw/zinc/46/19/13/906461913.db2.gz SXDCMFPXWADJRX-GHTZIAJQSA-N 1 0 381.426 3.587 20 30 GHEDRO C[N@H+](CCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433867 906469884 /nfs/dbraw/zinc/46/98/84/906469884.db2.gz ZZUWJYMRKUMEEW-UHFFFAOYSA-N 1 0 381.907 3.991 20 30 GHEDRO O=C(c1ccc(Cl)cc1)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000179393114 906491298 /nfs/dbraw/zinc/49/12/98/906491298.db2.gz DPHDMUBCVMOFPN-KRWDZBQOSA-O 1 0 389.928 3.725 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173470866 906507147 /nfs/dbraw/zinc/50/71/47/906507147.db2.gz FBSUBUCAIRVMPF-UHFFFAOYSA-N 1 0 378.516 3.882 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C[NH2+]C3CCC(C)(C#N)CC3)O2)CC1 ZINC001173587238 906545138 /nfs/dbraw/zinc/54/51/38/906545138.db2.gz TYYVSMBRBPTBCU-WBTXTPOCSA-N 1 0 391.556 3.997 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCOCC3)C2)CC1 ZINC001173594741 906547146 /nfs/dbraw/zinc/54/71/46/906547146.db2.gz LHOCSSNWUYWYPR-KRLBEQFCSA-N 1 0 390.568 3.773 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@@H+](C1CCC(C)(C#N)CC1)CCO2 ZINC001173594165 906547324 /nfs/dbraw/zinc/54/73/24/906547324.db2.gz UBRHVLYDHTVCOO-FBPXKMNZSA-N 1 0 377.529 3.561 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)CC1 ZINC001173594859 906548378 /nfs/dbraw/zinc/54/83/78/906548378.db2.gz MZGKYRUHISQCOX-NFJGTOLLSA-N 1 0 383.536 3.942 20 30 GHEDRO COc1cccc(CN2CCOC3(CC[NH+](C4CCC(C)(C#N)CC4)CC3)C2)c1 ZINC001173595696 906549347 /nfs/dbraw/zinc/54/93/47/906549347.db2.gz UDTGXDQJWFYHSW-UHFFFAOYSA-N 1 0 397.563 3.834 20 30 GHEDRO CN(C)CC[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173597267 906550574 /nfs/dbraw/zinc/55/05/74/906550574.db2.gz NUPNOYNUDLCJBT-LVIWNVNYSA-N 1 0 392.588 3.722 20 30 GHEDRO Cc1nc(CN2C(=O)CCC23CC[NH+](C2CCC(C)(C#N)CC2)CC3)cs1 ZINC001173595808 906551434 /nfs/dbraw/zinc/55/14/34/906551434.db2.gz XYHAMQDSYNFOPH-UHFFFAOYSA-N 1 0 386.565 3.881 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C#N)c1C ZINC000179778607 906595149 /nfs/dbraw/zinc/59/51/49/906595149.db2.gz BPASXJYBUWWJHG-UONOGXRCSA-N 1 0 394.475 3.794 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)c(OC)c1 ZINC000629609603 906900950 /nfs/dbraw/zinc/90/09/50/906900950.db2.gz AZZRMMVLAHHANM-XKGZKEIXSA-N 1 0 389.442 3.587 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000181213912 906945233 /nfs/dbraw/zinc/94/52/33/906945233.db2.gz YVQWVTPMLUZTKH-CQSZACIVSA-N 1 0 381.419 3.811 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(C#N)c1C ZINC000181442188 907001483 /nfs/dbraw/zinc/00/14/83/907001483.db2.gz FPRQHDHZJGNKHL-HUUCEWRRSA-N 1 0 394.475 3.573 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(-n4ccnc4)c(F)c3)CC2)cc1 ZINC000181573871 907029191 /nfs/dbraw/zinc/02/91/91/907029191.db2.gz BVZUKTFKMOIKLC-UHFFFAOYSA-N 1 0 389.478 3.637 20 30 GHEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182916306 907289652 /nfs/dbraw/zinc/28/96/52/907289652.db2.gz LBWXCWAQGRMVAL-YLJYHZDGSA-N 1 0 380.536 3.885 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000192097469 907408850 /nfs/dbraw/zinc/40/88/50/907408850.db2.gz YMGXVTFYXCPFCQ-MORSLUCNSA-N 1 0 393.890 3.630 20 30 GHEDRO Cc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183776679 907457122 /nfs/dbraw/zinc/45/71/22/907457122.db2.gz SKAWUDUANGGAMS-UHFFFAOYSA-N 1 0 393.535 3.847 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000184350017 907568627 /nfs/dbraw/zinc/56/86/27/907568627.db2.gz KMTFLMMELQAOKO-AWEZNQCLSA-N 1 0 399.495 3.564 20 30 GHEDRO C=CCCC[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC001175774481 907738550 /nfs/dbraw/zinc/73/85/50/907738550.db2.gz DRDMXFUQECDYOU-GOSISDBHSA-N 1 0 395.459 3.751 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2nc(-c3ccc(C#N)s3)cs2)cc1 ZINC001175808702 907764748 /nfs/dbraw/zinc/76/47/48/907764748.db2.gz WHYCGPHWCWPWHG-UHFFFAOYSA-N 1 0 397.529 3.778 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(Nc2cccnc2C#C[Si](C)(C)C)cc1 ZINC001175820736 907778168 /nfs/dbraw/zinc/77/81/68/907778168.db2.gz XHMCKBYZIBPYJO-UHFFFAOYSA-N 1 0 394.595 3.736 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC(C)([NH+]3CCCCC3)CC2)c1C ZINC001175965706 907843682 /nfs/dbraw/zinc/84/36/82/907843682.db2.gz PSJWDAQPSBZERR-UHFFFAOYSA-N 1 0 396.579 3.891 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1cccc(CO)c1 ZINC000186970456 908013683 /nfs/dbraw/zinc/01/36/83/908013683.db2.gz RPFTYJMYQBCWPE-UHFFFAOYSA-O 1 0 385.553 3.800 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cc(Br)ccc2C#N)cn1 ZINC001176355081 908069054 /nfs/dbraw/zinc/06/90/54/908069054.db2.gz KWOANHVXHXSVML-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC001176770883 908258807 /nfs/dbraw/zinc/25/88/07/908258807.db2.gz AXMMPGXQHSAIBT-HNNXBMFYSA-N 1 0 384.261 3.660 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000190623764 908509768 /nfs/dbraw/zinc/50/97/68/908509768.db2.gz XSQIZQAKRNLZDE-RDTXWAMCSA-N 1 0 385.414 3.611 20 30 GHEDRO C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+]1C1CCCC1 ZINC001177707833 908721919 /nfs/dbraw/zinc/72/19/19/908721919.db2.gz KAFFFAYOBVVANK-QGZVFWFLSA-N 1 0 393.487 3.819 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](C#N)Cc1cccs1 ZINC001177917741 908801753 /nfs/dbraw/zinc/80/17/53/908801753.db2.gz LZBOMXBXJJLLPC-QUCCMNQESA-N 1 0 381.545 3.847 20 30 GHEDRO C[C@@H]1C[NH+](CCCNc2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H](C)O1 ZINC000195664084 909028924 /nfs/dbraw/zinc/02/89/24/909028924.db2.gz TYCMGQFUMAOWFE-CHWSQXEVSA-N 1 0 376.863 3.810 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(-c2cnn(C)c2)c1 ZINC001178463101 909066537 /nfs/dbraw/zinc/06/65/37/909066537.db2.gz NPGMGTVVGMIVGS-UHFFFAOYSA-N 1 0 396.498 3.958 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c(OCC=C)c(OCC)c1)[C@H]1CCCO1 ZINC001178528520 909089062 /nfs/dbraw/zinc/08/90/62/909089062.db2.gz MJHGZTPYDNWMFP-IAGOWNOFSA-N 1 0 394.309 3.683 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000266512217 909202344 /nfs/dbraw/zinc/20/23/44/909202344.db2.gz GWKUZUHHINUUNS-QFIPXVFZSA-N 1 0 391.515 3.502 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000267765032 909629185 /nfs/dbraw/zinc/62/91/85/909629185.db2.gz RURBRDCLPDKNOA-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(F)c(C)cc2F)C(=S)NC2CC2)cc1 ZINC000267906437 909689976 /nfs/dbraw/zinc/68/99/76/909689976.db2.gz YEAJYGOETLETDK-UHFFFAOYSA-O 1 0 375.464 3.814 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000245509512 909691540 /nfs/dbraw/zinc/69/15/40/909691540.db2.gz UPWHXTZERGEMJU-JOCHJYFZSA-N 1 0 379.504 3.923 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000795333347 909962385 /nfs/dbraw/zinc/96/23/85/909962385.db2.gz NPPUAJMIJTXTEG-GOEBONIOSA-N 1 0 385.851 3.799 20 30 GHEDRO Cc1cc(C)cc(OCC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001180543443 910231268 /nfs/dbraw/zinc/23/12/68/910231268.db2.gz DUNPCWBSRNSELV-HZCBDIJESA-N 1 0 391.515 3.853 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+]C3CCC(C#N)CC3)C2=O)ccc1Br ZINC001180634034 910278559 /nfs/dbraw/zinc/27/85/59/910278559.db2.gz QDKOOKPVIWAMOX-KVULBXGLSA-N 1 0 376.298 3.535 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246437214 910293569 /nfs/dbraw/zinc/29/35/69/910293569.db2.gz DDVMRECSMRFXAW-RBUKOAKNSA-N 1 0 383.517 3.927 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC001181044622 910500370 /nfs/dbraw/zinc/50/03/70/910500370.db2.gz WNCWVHNKWOVGHX-PLACYPQZSA-N 1 0 384.520 3.898 20 30 GHEDRO CCCCCCC[C@@H](C)C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001181121114 910556298 /nfs/dbraw/zinc/55/62/98/910556298.db2.gz DOVPRUCOXCTYFK-LJQANCHMSA-N 1 0 392.588 3.690 20 30 GHEDRO N#Cc1cc(CC(=O)N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)ccc1F ZINC001181194877 910604334 /nfs/dbraw/zinc/60/43/34/910604334.db2.gz RMPOPGYPTOUMMG-WGSAOQKQSA-N 1 0 383.442 3.678 20 30 GHEDRO C[C@](O)(C[NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccc1Br ZINC001181222096 910645651 /nfs/dbraw/zinc/64/56/51/910645651.db2.gz DXJKSQPOWNBVNB-AJPWXKBRSA-N 1 0 385.305 3.870 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N2CCCC[C@@H]2C#N)C1 ZINC001181341317 910698693 /nfs/dbraw/zinc/69/86/93/910698693.db2.gz FVHOXZKNFLDFBT-BPQIPLTHSA-N 1 0 375.463 3.683 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cn2)CCO1 ZINC000271057077 910770675 /nfs/dbraw/zinc/77/06/75/910770675.db2.gz DKAKBFVXGZNZDW-BJRAERQBSA-N 1 0 390.531 3.800 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc(OC)c1O ZINC000271174710 910804567 /nfs/dbraw/zinc/80/45/67/910804567.db2.gz NALDNIYMGCKYJA-UHFFFAOYSA-N 1 0 396.487 3.686 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)cc1 ZINC001181689190 910897877 /nfs/dbraw/zinc/89/78/77/910897877.db2.gz WJFNXEFHHHCHOA-UHFFFAOYSA-N 1 0 382.435 3.959 20 30 GHEDRO C#C[C@@H]([NH2+]CC1(C)CCN(C(=O)OCC)CC1)c1ccc(Br)cc1 ZINC001182030852 911136426 /nfs/dbraw/zinc/13/64/26/911136426.db2.gz CQQVKVAAILLHJE-QGZVFWFLSA-N 1 0 393.325 3.972 20 30 GHEDRO CCCC[N@H+](CC)[C@H](C(=O)Nc1cc(C#N)c(C#N)cc1N)c1ccccc1 ZINC001182238000 911356996 /nfs/dbraw/zinc/35/69/96/911356996.db2.gz ZHUOBMXFLAZPBC-NRFANRHFSA-N 1 0 375.476 3.814 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283410191 911500595 /nfs/dbraw/zinc/50/05/95/911500595.db2.gz XAVCLMOUWWOEJC-UHFFFAOYSA-N 1 0 383.540 3.708 20 30 GHEDRO N#Cc1cccc(CCC(=O)N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001182342955 911515639 /nfs/dbraw/zinc/51/56/39/911515639.db2.gz KPAJEDMJFFYUSO-MEMLXQNLSA-N 1 0 379.479 3.929 20 30 GHEDRO C#CCOc1ccccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000774263984 911584455 /nfs/dbraw/zinc/58/44/55/911584455.db2.gz ATNMRXAYQMNEHK-UHFFFAOYSA-N 1 0 379.529 3.650 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)COC1(C)C ZINC001182435025 911659531 /nfs/dbraw/zinc/65/95/31/911659531.db2.gz RGLQTEXCUHCOOQ-IEBWSBKVSA-N 1 0 385.508 3.897 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000801956055 921682087 /nfs/dbraw/zinc/68/20/87/921682087.db2.gz UFSWTGXYWJSVBP-FPOVZHCZSA-N 1 0 389.421 3.931 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000092644484 911672642 /nfs/dbraw/zinc/67/26/42/911672642.db2.gz HJGMKRLUVRVUEM-QGZVFWFLSA-N 1 0 397.544 3.610 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000774485171 911792275 /nfs/dbraw/zinc/79/22/75/911792275.db2.gz SBXLTQQKGHVUBP-UONOGXRCSA-N 1 0 382.533 3.852 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000092783963 911805309 /nfs/dbraw/zinc/80/53/09/911805309.db2.gz WZHWKNQFBGMVAR-AZUAARDMSA-N 1 0 377.488 3.619 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1OCCCC#N ZINC000284837674 912050936 /nfs/dbraw/zinc/05/09/36/912050936.db2.gz WIOPGDGISVEKJW-AVRDEDQJSA-N 1 0 398.507 3.775 20 30 GHEDRO CN(C)c1nc(C[NH2+]CCc2ccc(C#N)cc2)c(Cl)n1-c1ccccc1 ZINC001182853685 912081380 /nfs/dbraw/zinc/08/13/80/912081380.db2.gz CHDNFTDQLOMBRI-UHFFFAOYSA-N 1 0 379.895 3.796 20 30 GHEDRO N#Cc1c(N)sc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C2CCCC2)C3)c1Cl ZINC001275014501 912146372 /nfs/dbraw/zinc/14/63/72/912146372.db2.gz MISUIVNEAHMWGE-IBGZPJMESA-N 1 0 392.956 3.755 20 30 GHEDRO C[C@@H]1[C@@H](CC(=O)Nc2c[nH]nc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186935906 914883273 /nfs/dbraw/zinc/88/32/73/914883273.db2.gz LUJCEZOGTFWFOO-APWZRJJASA-N 1 0 385.471 3.720 20 30 GHEDRO C[C@H]1[C@H](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186945431 914909872 /nfs/dbraw/zinc/90/98/72/914909872.db2.gz ASKJMVZPQGWLDQ-XGARDCMYSA-N 1 0 391.490 3.949 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccccc1OC ZINC000775089781 915064260 /nfs/dbraw/zinc/06/42/60/915064260.db2.gz SQNPRWAHERTDEL-ZWKOTPCHSA-N 1 0 386.455 3.973 20 30 GHEDRO C[NH+](C)CCCn1cc(Nc2cc(Cl)c(Br)cc2C#N)cn1 ZINC001187168710 915091189 /nfs/dbraw/zinc/09/11/89/915091189.db2.gz HQNOSJJLQMYFTD-UHFFFAOYSA-N 1 0 382.693 3.866 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008783 921744900 /nfs/dbraw/zinc/74/49/00/921744900.db2.gz IMIXBBWVAVLOJI-JOCHJYFZSA-N 1 0 385.508 3.790 20 30 GHEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000303782182 915126128 /nfs/dbraw/zinc/12/61/28/915126128.db2.gz MUWSXDNJTDWMRO-IBGZPJMESA-N 1 0 382.508 3.658 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001187462969 915272879 /nfs/dbraw/zinc/27/28/79/915272879.db2.gz KEEBPWVLBDLMKU-INIZCTEOSA-N 1 0 387.443 3.898 20 30 GHEDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H](C)O2 ZINC000366815239 921760396 /nfs/dbraw/zinc/76/03/96/921760396.db2.gz ZOJOGAJSDORTDC-MSYCTHLASA-N 1 0 394.519 3.622 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000303989767 915350529 /nfs/dbraw/zinc/35/05/29/915350529.db2.gz XVAYMWCYEKRRFR-HXUWFJFHSA-N 1 0 386.927 3.703 20 30 GHEDRO COc1ccccc1SC[C@H](C)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304475672 915516411 /nfs/dbraw/zinc/51/64/11/915516411.db2.gz GQFXTXFNETZSDN-WBVHZDCISA-N 1 0 385.533 3.852 20 30 GHEDRO CCOCc1ccccc1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304467571 915516571 /nfs/dbraw/zinc/51/65/71/915516571.db2.gz CERINWOFUBHNTG-UHFFFAOYSA-N 1 0 381.398 3.726 20 30 GHEDRO CC(=O)N1CCC(N(CC#Cc2cccc(Cl)c2)Cc2cncs2)CC1 ZINC000292282143 915598180 /nfs/dbraw/zinc/59/81/80/915598180.db2.gz BUONKOIHEXTDQW-UHFFFAOYSA-N 1 0 387.936 3.661 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(F)c(F)c1)C(=S)NC1CCC1 ZINC000292375353 915643270 /nfs/dbraw/zinc/64/32/70/915643270.db2.gz SWKMEFVBGASOEC-UHFFFAOYSA-O 1 0 375.464 3.896 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1ccc(OC2CC[NH+](C)CC2)cn1 ZINC001188001234 915678895 /nfs/dbraw/zinc/67/88/95/915678895.db2.gz INBVGVMAWVVDHY-UHFFFAOYSA-N 1 0 383.558 3.657 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001188018089 915710221 /nfs/dbraw/zinc/71/02/21/915710221.db2.gz STYBDXBLMJDXIT-UHFFFAOYSA-N 1 0 381.586 3.536 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(C)cc2OCC(F)(F)F)c1 ZINC000304935479 915792477 /nfs/dbraw/zinc/79/24/77/915792477.db2.gz IDCIHXHTMZDTAN-UHFFFAOYSA-N 1 0 397.397 3.880 20 30 GHEDRO COC(=O)c1cccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304985645 915817275 /nfs/dbraw/zinc/81/72/75/915817275.db2.gz IBDSTSSOUOLQBU-LLVKDONJSA-N 1 0 380.275 3.946 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000292862391 915878756 /nfs/dbraw/zinc/87/87/56/915878756.db2.gz COIAHJRRSCBTPJ-UHFFFAOYSA-N 1 0 388.437 3.769 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)COc2ccccc2OC)cc1Cl ZINC000305707943 916248399 /nfs/dbraw/zinc/24/83/99/916248399.db2.gz WNVBVVVHLBPNMP-ZDUSSCGKSA-N 1 0 377.872 3.799 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(-c2ccccc2)n1 ZINC000293748078 916361595 /nfs/dbraw/zinc/36/15/95/916361595.db2.gz WNZLDVPTQNAOSI-JOCHJYFZSA-N 1 0 376.504 3.855 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3Br)CC2)C1=O ZINC001275721797 916374130 /nfs/dbraw/zinc/37/41/30/916374130.db2.gz HENQHXKMUXGRAT-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCOCc2ccc(Cl)cc2Cl)cc1OC ZINC000305800543 916441524 /nfs/dbraw/zinc/44/15/24/916441524.db2.gz XEXNYYZOIKEDRK-UHFFFAOYSA-N 1 0 398.290 3.954 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1F ZINC000294383820 916777987 /nfs/dbraw/zinc/77/79/87/916777987.db2.gz DAJQRTDOMJXSPG-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000294748227 916958835 /nfs/dbraw/zinc/95/88/35/916958835.db2.gz LTRIYEGYJNWINY-UHFFFAOYSA-N 1 0 382.529 3.918 20 30 GHEDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1)C(N)=O ZINC000294765590 916965087 /nfs/dbraw/zinc/96/50/87/916965087.db2.gz JPLCPAZAWQFPRF-SFHVURJKSA-N 1 0 393.535 3.577 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000775334973 916991825 /nfs/dbraw/zinc/99/18/25/916991825.db2.gz AYBRNZLIJMFLIJ-IUCAKERBSA-N 1 0 383.320 3.932 20 30 GHEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000362040603 917048377 /nfs/dbraw/zinc/04/83/77/917048377.db2.gz QBSCCELDCSYKGS-QGZVFWFLSA-N 1 0 397.544 3.671 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)[C@@H]1CCCO1 ZINC000775342960 917060222 /nfs/dbraw/zinc/06/02/22/917060222.db2.gz UKUDEZDUIVNXOR-PMACEKPBSA-N 1 0 381.472 3.553 20 30 GHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000295033133 917102620 /nfs/dbraw/zinc/10/26/20/917102620.db2.gz LUZIQVHLKKUREL-HXUWFJFHSA-N 1 0 395.894 3.678 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+](C)C)cc1 ZINC000295091751 917136336 /nfs/dbraw/zinc/13/63/36/917136336.db2.gz ZZDAUHKBNSMNMY-QGZVFWFLSA-N 1 0 375.444 3.591 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)cc1 ZINC001190215836 917201652 /nfs/dbraw/zinc/20/16/52/917201652.db2.gz CNUFFTQPPDTSBM-XJUOHMSHSA-N 1 0 391.515 3.614 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000295280625 917248550 /nfs/dbraw/zinc/24/85/50/917248550.db2.gz IVRLJJSKZVRCLT-GOSISDBHSA-N 1 0 379.504 3.531 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000775400452 917433898 /nfs/dbraw/zinc/43/38/98/917433898.db2.gz PMGZLICFQYHDGL-IBGZPJMESA-N 1 0 390.405 3.598 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC001190818432 917581142 /nfs/dbraw/zinc/58/11/42/917581142.db2.gz LNFRVYVXGNDJDA-KRWDZBQOSA-N 1 0 385.508 3.558 20 30 GHEDRO Cc1ccc(NC(=O)CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1F ZINC001190904181 917656516 /nfs/dbraw/zinc/65/65/16/917656516.db2.gz JZKBFXMKIPOGIM-UHFFFAOYSA-N 1 0 381.451 3.878 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CCCCC3(C#N)CCC3)C2=O)c1 ZINC001191997434 918332428 /nfs/dbraw/zinc/33/24/28/918332428.db2.gz LAQKPKDHTDTZCU-FQEVSTJZSA-N 1 0 385.508 3.605 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653710920 918439333 /nfs/dbraw/zinc/43/93/33/918439333.db2.gz FRGBQCLEEMLNGY-LPHOPBHVSA-N 1 0 386.565 3.510 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)c1 ZINC000115374904 919450720 /nfs/dbraw/zinc/45/07/20/919450720.db2.gz IWRGNQSAUNFCNX-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CC(C)COc1ccc(C(C)(C)C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115599731 919456565 /nfs/dbraw/zinc/45/65/65/919456565.db2.gz JIPIXFYDLVGPLK-NRFANRHFSA-N 1 0 379.504 3.687 20 30 GHEDRO C[N@H+](Cc1ccccc1CN[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000115597888 919457525 /nfs/dbraw/zinc/45/75/25/919457525.db2.gz OXQHWOLXEMKCCA-QHCPKHFHSA-N 1 0 390.531 3.639 20 30 GHEDRO CCNC(=O)COc1ccc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000119880842 919661764 /nfs/dbraw/zinc/66/17/64/919661764.db2.gz GMERPBMXBUEVJS-KRWDZBQOSA-N 1 0 395.503 3.665 20 30 GHEDRO CCNC(=O)COc1ccc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000119881047 919662697 /nfs/dbraw/zinc/66/26/97/919662697.db2.gz GMERPBMXBUEVJS-QGZVFWFLSA-N 1 0 395.503 3.665 20 30 GHEDRO C=C[C@H](CC(=O)N1CCC[C@@H](N(C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697923 919868067 /nfs/dbraw/zinc/86/80/67/919868067.db2.gz PSGSBBYQKMRMDC-UYAOXDASSA-N 1 0 382.508 3.551 20 30 GHEDRO N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)s2)cc1 ZINC000900317485 920175747 /nfs/dbraw/zinc/17/57/47/920175747.db2.gz NBISLJIIRMPKQD-CVEARBPZSA-N 1 0 399.545 3.657 20 30 GHEDRO C[C@H](NC(=O)c1cccc(SCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364982381 920265213 /nfs/dbraw/zinc/26/52/13/920265213.db2.gz GAYGDKQNVDZRFD-FXAWDEMLSA-N 1 0 379.529 3.943 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000298462049 920563535 /nfs/dbraw/zinc/56/35/35/920563535.db2.gz OFDMGKDNMHDJOG-WSWWRLHASA-N 1 0 380.536 3.765 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+]C2(c3cccc(C#N)c3)CC2)c(OC)cc1Cl ZINC000298805594 920945957 /nfs/dbraw/zinc/94/59/57/920945957.db2.gz FCCWNKXEZOBFJV-UHFFFAOYSA-N 1 0 399.878 3.836 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1=O ZINC000366960747 921842397 /nfs/dbraw/zinc/84/23/97/921842397.db2.gz HSEGDGQVGSJPAA-ROUUACIJSA-N 1 0 382.426 3.550 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000802149171 921865838 /nfs/dbraw/zinc/86/58/38/921865838.db2.gz XOUCSXMJVHSJQI-JPYJTQIMSA-N 1 0 396.462 3.850 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000367632360 922241676 /nfs/dbraw/zinc/24/16/76/922241676.db2.gz KPXJGOWXIDNLNL-OAQYLSRUSA-N 1 0 383.879 3.908 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000802714211 922353886 /nfs/dbraw/zinc/35/38/86/922353886.db2.gz HNIHOSNNUJUFQL-ZWKOTPCHSA-N 1 0 394.519 3.619 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902877523 922575173 /nfs/dbraw/zinc/57/51/73/922575173.db2.gz UZWIUOGSHRZYKT-DLBZAZTESA-N 1 0 380.492 3.660 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000903263849 922889563 /nfs/dbraw/zinc/88/95/63/922889563.db2.gz OTWWNUQGRSQJQR-JSNMRZPZSA-N 1 0 378.476 3.795 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000803661855 923130479 /nfs/dbraw/zinc/13/04/79/923130479.db2.gz BSXGEZNIJCOUNZ-UHFFFAOYSA-N 1 0 399.878 3.963 20 30 GHEDRO C=CCSc1ccccc1NC(=O)COC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803856155 923320617 /nfs/dbraw/zinc/32/06/17/923320617.db2.gz OZSKBJSDHDSMTR-MRXNPFEDSA-N 1 0 376.522 3.711 20 30 GHEDRO C[NH+]1CCC2(CCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000748323677 923576362 /nfs/dbraw/zinc/57/63/62/923576362.db2.gz FTKFKCZLMUOJOW-UHFFFAOYSA-N 1 0 375.472 3.855 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CC)Cc2cccc(-c3ccncc3)c2)CC1 ZINC000369865495 923692804 /nfs/dbraw/zinc/69/28/04/923692804.db2.gz YYUIETYRFSMWOK-UHFFFAOYSA-N 1 0 378.520 3.931 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000748506856 923698233 /nfs/dbraw/zinc/69/82/33/923698233.db2.gz GHIZUHXJGSCQDZ-QFIPXVFZSA-N 1 0 391.519 3.995 20 30 GHEDRO COc1ccc(NC(=S)NN=C2CCCC[C@@H]2[NH+]2CCCCC2)cc1OC ZINC000748782038 923828044 /nfs/dbraw/zinc/82/80/44/923828044.db2.gz IIJWLBZWAUHULJ-KRWDZBQOSA-N 1 0 390.553 3.775 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](C[C@H]2CCOC2)C1)C(C)C ZINC000678670118 924880378 /nfs/dbraw/zinc/88/03/78/924880378.db2.gz VHMRFLSDYIWZHK-NJDAHSKKSA-N 1 0 377.573 3.533 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409813653 925024300 /nfs/dbraw/zinc/02/43/00/925024300.db2.gz QYGWJOOKIHUDBD-NQIIRXRSSA-N 1 0 399.498 3.527 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(O)cccc3Br)CC2)C1=O ZINC001276079270 925271021 /nfs/dbraw/zinc/27/10/21/925271021.db2.gz YSHKRFWOGLEVFH-LJQANCHMSA-N 1 0 393.325 3.545 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000410496346 925684755 /nfs/dbraw/zinc/68/47/55/925684755.db2.gz FIONOYUKQXUQPU-QAPCUYQASA-N 1 0 382.895 3.732 20 30 GHEDRO O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001137434821 925774828 /nfs/dbraw/zinc/77/48/28/925774828.db2.gz NTZUPFKTJWJZED-AWNIVKPZSA-N 1 0 396.462 3.911 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1)C1CCOCC1 ZINC000827569672 925822708 /nfs/dbraw/zinc/82/27/08/925822708.db2.gz CIYRPCRPQDVRDM-HSZRJFAPSA-N 1 0 389.499 3.740 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(N3CCOC3=O)CC2)c1 ZINC000827741350 925943032 /nfs/dbraw/zinc/94/30/32/925943032.db2.gz QINNNBYAYDGOGR-UHFFFAOYSA-N 1 0 391.471 3.554 20 30 GHEDRO N#Cc1ccc(SCC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373418646 926100615 /nfs/dbraw/zinc/10/06/15/926100615.db2.gz RPBBLKDLNCSITN-UHFFFAOYSA-N 1 0 397.466 3.572 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H]3CN(C4CCCCC4)C(=O)O3)CC2)cc1 ZINC000827871394 926123575 /nfs/dbraw/zinc/12/35/75/926123575.db2.gz ZEBUOQLIBZAHOK-NRFANRHFSA-N 1 0 383.492 3.555 20 30 GHEDRO CCC[N@H+](C[C@H]1CCCCO1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411369227 926339616 /nfs/dbraw/zinc/33/96/16/926339616.db2.gz PTKDBQPEGNHSQM-HUUCEWRRSA-N 1 0 375.538 3.717 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1 ZINC000796633410 926364751 /nfs/dbraw/zinc/36/47/51/926364751.db2.gz UGQLNRNPMRPIKM-UHFFFAOYSA-N 1 0 386.499 3.953 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccncc1 ZINC000411420134 926383398 /nfs/dbraw/zinc/38/33/98/926383398.db2.gz HLGGEAZXENHHRS-HNNXBMFYSA-N 1 0 382.533 3.990 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)sc2C1 ZINC000411513497 926469204 /nfs/dbraw/zinc/46/92/04/926469204.db2.gz PFBSTYDABLIRPM-DYHNYNMBSA-N 1 0 387.549 3.620 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000411529693 926493483 /nfs/dbraw/zinc/49/34/83/926493483.db2.gz HFLZSISNUUPZNL-DGCWBMGLSA-N 1 0 395.528 3.980 20 30 GHEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411566704 926514284 /nfs/dbraw/zinc/51/42/84/926514284.db2.gz ZYTYMSQVXGYHCN-IAGOWNOFSA-N 1 0 375.538 3.620 20 30 GHEDRO Cc1noc(C2CCC([NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)CC2)n1 ZINC000373904637 926542159 /nfs/dbraw/zinc/54/21/59/926542159.db2.gz NHRUKXJGVLCBJG-DAWZGUTISA-N 1 0 383.471 3.674 20 30 GHEDRO CCC1CCC([N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C2CC2)CC1 ZINC000726585986 926744414 /nfs/dbraw/zinc/74/44/14/926744414.db2.gz DFKPUMJCJKXCOH-UHFFFAOYSA-N 1 0 394.519 3.713 20 30 GHEDRO C[NH+](C)CCOc1ccc(C=NNCc2ccc(Br)cc2)cc1 ZINC000726739930 926826208 /nfs/dbraw/zinc/82/62/08/926826208.db2.gz MFWOJXWWYFZTLS-UHFFFAOYSA-N 1 0 376.298 3.513 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000749398063 927086748 /nfs/dbraw/zinc/08/67/48/927086748.db2.gz YTIKVNTYXPXJRX-UHFFFAOYSA-N 1 0 377.532 3.928 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412217977 927219582 /nfs/dbraw/zinc/21/95/82/927219582.db2.gz YTTMXTXPDISHOB-RBUKOAKNSA-N 1 0 383.442 3.530 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3ccnc(Br)c3)CC2)C1=O ZINC001276212890 927662327 /nfs/dbraw/zinc/66/23/27/927662327.db2.gz KZWSLWUHLSTPFB-LJQANCHMSA-N 1 0 392.341 3.625 20 30 GHEDRO COc1ccc(Cl)cc1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374905598 927680568 /nfs/dbraw/zinc/68/05/68/927680568.db2.gz ZRZXUERHCPHTBR-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000750579230 927727966 /nfs/dbraw/zinc/72/79/66/927727966.db2.gz CLWZOWZEADATGL-OWBHPGMISA-N 1 0 394.515 3.993 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000374989053 927781882 /nfs/dbraw/zinc/78/18/82/927781882.db2.gz PIPFFQJNOILJEF-AVRDEDQJSA-N 1 0 397.906 3.954 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)CC1 ZINC000413230840 928345989 /nfs/dbraw/zinc/34/59/89/928345989.db2.gz FEOMWVCMDFEIEI-INIZCTEOSA-N 1 0 386.515 3.588 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000413263514 928376471 /nfs/dbraw/zinc/37/64/71/928376471.db2.gz LKAQWEYQOCGFQF-NRFANRHFSA-N 1 0 391.515 3.793 20 30 GHEDRO CC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(C)C ZINC000543870475 928516167 /nfs/dbraw/zinc/51/61/67/928516167.db2.gz ADWIGQILVHRASQ-MWTRTKDXSA-N 1 0 377.488 3.606 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000752053638 928571922 /nfs/dbraw/zinc/57/19/22/928571922.db2.gz HENFWWKMXCOPFO-UXHICEINSA-N 1 0 399.535 3.686 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000543996299 928664280 /nfs/dbraw/zinc/66/42/80/928664280.db2.gz DWGPDBXJKLUVBO-ZDUSSCGKSA-N 1 0 399.516 3.920 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000752361356 928794701 /nfs/dbraw/zinc/79/47/01/928794701.db2.gz WODUXSBGCXDDDD-LZQZEXGQSA-N 1 0 378.501 3.584 20 30 GHEDRO CC(=Nn1cc(Br)cn1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000752743098 929003080 /nfs/dbraw/zinc/00/30/80/929003080.db2.gz NQOGINWEEZGGJO-UHFFFAOYSA-N 1 0 377.286 3.609 20 30 GHEDRO C[C@H](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCCCC1 ZINC000544298816 929031160 /nfs/dbraw/zinc/03/11/60/929031160.db2.gz GIAFUYOIJHKJNP-KMFTYDHNSA-N 1 0 398.551 3.812 20 30 GHEDRO C#CCN1CCC2(CC[NH+](CCCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC001276277381 929184282 /nfs/dbraw/zinc/18/42/82/929184282.db2.gz YGJNEGGQVNOARL-UHFFFAOYSA-N 1 0 379.331 3.874 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+]2CCCc2ccccc2Br)C1=O ZINC001276279784 929245858 /nfs/dbraw/zinc/24/58/58/929245858.db2.gz BFWILVUIBOSARQ-IBGZPJMESA-N 1 0 377.326 3.635 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000544575204 929301018 /nfs/dbraw/zinc/30/10/18/929301018.db2.gz YYQCNHIZBCUAKK-YADHBBJMSA-N 1 0 398.528 3.620 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@@H+]1C1CC1 ZINC000753918500 929591919 /nfs/dbraw/zinc/59/19/19/929591919.db2.gz NJMYUYPTKQUGTA-YOEHRIQHSA-N 1 0 380.517 3.711 20 30 GHEDRO C[C@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C[N@@H+]1C1CC1 ZINC000753960647 929611749 /nfs/dbraw/zinc/61/17/49/929611749.db2.gz SYWDBCLEDPJCQN-NSHDSACASA-N 1 0 376.386 3.582 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000758209296 929974661 /nfs/dbraw/zinc/97/46/61/929974661.db2.gz JZRDMWRJPRKFDY-HSZRJFAPSA-N 1 0 376.504 3.559 20 30 GHEDRO C[N@H+](CCNC(=O)c1cn(CCCC#N)c2ccccc12)Cc1ccc(F)cc1 ZINC000469539899 929974878 /nfs/dbraw/zinc/97/48/78/929974878.db2.gz LSBSIVUATBFOBT-UHFFFAOYSA-N 1 0 392.478 3.946 20 30 GHEDRO CN(Cc1cc(Br)cn1C)Cc1cc(Cl)ccc1OCC#N ZINC000758825055 930182998 /nfs/dbraw/zinc/18/29/98/930182998.db2.gz FYXZUPWJVHAPKO-UHFFFAOYSA-N 1 0 382.689 3.975 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000469989428 930298482 /nfs/dbraw/zinc/29/84/82/930298482.db2.gz FRHUMBZVSFWEIN-ZFWWWQNUSA-N 1 0 383.330 3.582 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(CC)CC ZINC000759439921 930368836 /nfs/dbraw/zinc/36/88/36/930368836.db2.gz CZJLDURJGXZTMZ-FFZOFVMBSA-N 1 0 392.503 3.797 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000780968740 930656137 /nfs/dbraw/zinc/65/61/37/930656137.db2.gz HDZTWRLPOMVWSC-QFIPXVFZSA-N 1 0 379.504 3.530 20 30 GHEDRO C[C@@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000547373668 930965887 /nfs/dbraw/zinc/96/58/87/930965887.db2.gz BFVKFGOUYCJBFH-FQEVSTJZSA-N 1 0 390.531 3.969 20 30 GHEDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000470848595 930970322 /nfs/dbraw/zinc/97/03/22/930970322.db2.gz NSGMBRLNFMEPFQ-UHFFFAOYSA-N 1 0 390.487 3.583 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557474725 931458556 /nfs/dbraw/zinc/45/85/56/931458556.db2.gz VMIYLXCTXSNTFV-LJQANCHMSA-N 1 0 386.417 3.695 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000924698792 931478730 /nfs/dbraw/zinc/47/87/30/931478730.db2.gz HGDUVPRHUZPRSM-KRWDZBQOSA-N 1 0 382.508 3.967 20 30 GHEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000557586033 931559527 /nfs/dbraw/zinc/55/95/27/931559527.db2.gz XZWPFJRWZIGNBW-ARMXKFQOSA-N 1 0 386.496 3.873 20 30 GHEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000557586035 931560082 /nfs/dbraw/zinc/56/00/82/931560082.db2.gz XZWPFJRWZIGNBW-ZZUNWWICSA-N 1 0 386.496 3.873 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cccc(C(F)(F)F)c1)[n+]1ccc(C)cc1 ZINC000783694524 931620340 /nfs/dbraw/zinc/62/03/40/931620340.db2.gz IWAJRGYNHRNWNQ-UHFFFAOYSA-O 1 0 377.411 3.735 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000925243361 931715380 /nfs/dbraw/zinc/71/53/80/931715380.db2.gz KGZFHLRKBHTRQK-FGTMMUONSA-N 1 0 390.572 3.521 20 30 GHEDRO N#CCc1ccccc1CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000784324058 931855556 /nfs/dbraw/zinc/85/55/56/931855556.db2.gz CTXINRFQAZRPKU-TZRRMPRUSA-N 1 0 387.527 3.712 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000558148038 931858222 /nfs/dbraw/zinc/85/82/22/931858222.db2.gz MXSPXPUHBBHOIS-VGSWGCGISA-N 1 0 391.490 3.756 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926028280 932007468 /nfs/dbraw/zinc/00/74/68/932007468.db2.gz ZBPDOKXHVLMGIK-UPJWGTAASA-N 1 0 386.443 3.682 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 ZINC000796713002 932039436 /nfs/dbraw/zinc/03/94/36/932039436.db2.gz APDGXNYWKDOCQL-UHFFFAOYSA-N 1 0 388.515 3.553 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCCCO1 ZINC000926121948 932055983 /nfs/dbraw/zinc/05/59/83/932055983.db2.gz KOLFYUPHOHVWLF-MSOLQXFVSA-N 1 0 379.545 3.855 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000926185703 932076514 /nfs/dbraw/zinc/07/65/14/932076514.db2.gz ZYVTUYNPRMKPDR-QRQLOZEOSA-N 1 0 391.556 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796958918 932124323 /nfs/dbraw/zinc/12/43/23/932124323.db2.gz IOVMNEPEWKSDQG-UXHICEINSA-N 1 0 398.551 3.953 20 30 GHEDRO COc1c(C)cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000796965602 932126558 /nfs/dbraw/zinc/12/65/58/932126558.db2.gz QKHGNRZSXXLPDX-QRWLVFNGSA-N 1 0 397.906 3.980 20 30 GHEDRO CCc1noc(C)c1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926480584 932201360 /nfs/dbraw/zinc/20/13/60/932201360.db2.gz FNHKYKKEAAJGON-OAHLLOKOSA-N 1 0 390.528 3.955 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1ccc(C#N)cc1 ZINC000558743720 932206848 /nfs/dbraw/zinc/20/68/48/932206848.db2.gz YROIGBJOXGLKSU-LLVKDONJSA-N 1 0 376.229 3.749 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000558752747 932211914 /nfs/dbraw/zinc/21/19/14/932211914.db2.gz JYPIPJXDBITGDH-NRFANRHFSA-N 1 0 382.479 3.733 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CCC2(COC2)CC1 ZINC000926860960 932329699 /nfs/dbraw/zinc/32/96/99/932329699.db2.gz LBTTWBXWAPTRGT-QGZVFWFLSA-N 1 0 391.556 3.855 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000559266555 932565919 /nfs/dbraw/zinc/56/59/19/932565919.db2.gz HAACAQVXIMGHPM-NRFANRHFSA-N 1 0 375.516 3.848 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1Cl ZINC000798956091 932838619 /nfs/dbraw/zinc/83/86/19/932838619.db2.gz HICNTIFLMASNNI-UHFFFAOYSA-N 1 0 390.833 3.795 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000799358924 932966552 /nfs/dbraw/zinc/96/65/52/932966552.db2.gz QNCLFEBKRWZNPF-LJQANCHMSA-N 1 0 387.524 3.954 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)ccc1C#N ZINC000799735263 933104011 /nfs/dbraw/zinc/10/40/11/933104011.db2.gz XRFHHPVHWHUCMU-OTWHNJEPSA-N 1 0 385.508 3.692 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C(C)C ZINC000560358910 933220692 /nfs/dbraw/zinc/22/06/92/933220692.db2.gz JHRQEWCWAUUPHE-GOSISDBHSA-N 1 0 380.540 3.956 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C3CCC(CO)CC3)sc2C1 ZINC000560693716 933467737 /nfs/dbraw/zinc/46/77/37/933467737.db2.gz OKBXORPGNCNLQJ-FHERZECASA-N 1 0 389.565 3.556 20 30 GHEDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC001116345988 933497076 /nfs/dbraw/zinc/49/70/76/933497076.db2.gz KEPOYXBJMYULHW-SFHVURJKSA-N 1 0 397.910 3.820 20 30 GHEDRO C[C@@H](CN1CCOCC1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000929607850 933538769 /nfs/dbraw/zinc/53/87/69/933538769.db2.gz CSFZARZITMPYJN-PGRDOPGGSA-N 1 0 392.503 3.526 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)C1 ZINC001116568375 933637810 /nfs/dbraw/zinc/63/78/10/933637810.db2.gz UBYNCMHBPAPEFD-APWZRJJASA-N 1 0 379.932 3.709 20 30 GHEDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000929890472 933693780 /nfs/dbraw/zinc/69/37/80/933693780.db2.gz WWEGRESPOPLMLQ-UHFFFAOYSA-N 1 0 397.519 3.585 20 30 GHEDRO CN1CCO[C@@H]([C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC001116704863 933713172 /nfs/dbraw/zinc/71/31/72/933713172.db2.gz SNHCPSSRDFJRDW-JSPDHQCPSA-N 1 0 395.934 3.925 20 30 GHEDRO N#Cc1cc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000561106779 933872961 /nfs/dbraw/zinc/87/29/61/933872961.db2.gz WDDVKIAOMVLSBM-GOSISDBHSA-N 1 0 385.855 3.951 20 30 GHEDRO COc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)ccc1C#N ZINC001117693019 933985156 /nfs/dbraw/zinc/98/51/56/933985156.db2.gz QWYJLBFIRKDPJG-NRFANRHFSA-N 1 0 377.488 3.546 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1csc(C#N)c1 ZINC001117740505 934001217 /nfs/dbraw/zinc/00/12/17/934001217.db2.gz OKPHSFSEMMRTPY-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000930557730 934102137 /nfs/dbraw/zinc/10/21/37/934102137.db2.gz CNQIXAJOYWSLLK-UHFFFAOYSA-N 1 0 382.533 3.645 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000931022023 934339633 /nfs/dbraw/zinc/33/96/33/934339633.db2.gz JYAFUXSWYFFNSL-AZUAARDMSA-N 1 0 399.535 3.847 20 30 GHEDRO C#CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CCCc2ccccc21 ZINC000931126656 934390028 /nfs/dbraw/zinc/39/00/28/934390028.db2.gz JYPAINURXCQKLQ-OAQYLSRUSA-N 1 0 391.519 3.695 20 30 GHEDRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000931464709 934572172 /nfs/dbraw/zinc/57/21/72/934572172.db2.gz LICXFJFLNBOSSG-UHFFFAOYSA-N 1 0 379.545 3.544 20 30 GHEDRO C=CCn1c(-c2sc(C)nc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001121606037 934713171 /nfs/dbraw/zinc/71/31/71/934713171.db2.gz RLMQUUZCHVJGFQ-SJLPKXTDSA-N 1 0 398.580 3.658 20 30 GHEDRO C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001121629417 934719221 /nfs/dbraw/zinc/71/92/21/934719221.db2.gz SZOTXSSAEXBELU-IBGZPJMESA-N 1 0 383.496 3.532 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001121732128 934750226 /nfs/dbraw/zinc/75/02/26/934750226.db2.gz JVBWTDIZROIMIU-OAHLLOKOSA-N 1 0 396.539 3.616 20 30 GHEDRO CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001121813509 934771034 /nfs/dbraw/zinc/77/10/34/934771034.db2.gz PRNOVGZCWUZIEF-GOTSBHOMSA-N 1 0 392.551 3.592 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(c2nnc(CCCC#N)n2Cc2ccccc2)CC1 ZINC001122052922 934809136 /nfs/dbraw/zinc/80/91/36/934809136.db2.gz WKHFVJVGFOQBFZ-UHFFFAOYSA-N 1 0 392.551 3.627 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5c(s4)CCC5)C3)o2)cc1 ZINC000932194372 934847001 /nfs/dbraw/zinc/84/70/01/934847001.db2.gz RQAKKZASCVPJEZ-INIZCTEOSA-N 1 0 391.500 3.933 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@@H](C)O)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001122434968 934868898 /nfs/dbraw/zinc/86/88/98/934868898.db2.gz LURDROMCVSNWCX-MOPGFXCFSA-N 1 0 397.567 3.743 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001122466747 934876880 /nfs/dbraw/zinc/87/68/80/934876880.db2.gz SUJUXKMGAPZGHF-NSHGMRRFSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C2CC2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001122557369 934899739 /nfs/dbraw/zinc/89/97/39/934899739.db2.gz LYXFHMYFRRMPFA-LJQANCHMSA-N 1 0 387.572 3.533 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001122601506 934915190 /nfs/dbraw/zinc/91/51/90/934915190.db2.gz HSCMBFPCTKHIMP-HXUWFJFHSA-N 1 0 395.551 3.753 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3cccnc3c2)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001122616009 934921715 /nfs/dbraw/zinc/92/17/15/934921715.db2.gz VGCIYMYWFTUREG-TZIWHRDSSA-N 1 0 388.519 3.600 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3SCc3ccc(C#N)cc3)[C@@H]2C1 ZINC001124024755 935331138 /nfs/dbraw/zinc/33/11/38/935331138.db2.gz CNXCKQHJMMQQCE-CEWLAPEOSA-N 1 0 391.540 3.921 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cccc5ncccc45)C3)CC2=O)c1 ZINC001137628018 935643100 /nfs/dbraw/zinc/64/31/00/935643100.db2.gz JZPDGIOTLIDGHX-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001137765999 935778688 /nfs/dbraw/zinc/77/86/88/935778688.db2.gz SZXJYDNZKDAHEP-XZOQPEGZSA-N 1 0 379.504 3.717 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)cc1 ZINC001137903959 935857524 /nfs/dbraw/zinc/85/75/24/935857524.db2.gz CVXFNUVFGOBOCP-NZQKXSOJSA-N 1 0 388.515 3.769 20 30 GHEDRO C=CCC1([NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCCCC1 ZINC001573328980 947416838 /nfs/dbraw/zinc/41/68/38/947416838.db2.gz FXSJZEGQBHFDOS-UHFFFAOYSA-N 1 0 388.903 3.717 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CCOc3ccccc3C#N)C[C@H]1CCCC2 ZINC001460978372 1069312232 /nfs/dbraw/zinc/31/22/32/1069312232.db2.gz UPHPPLSFVSMEPE-XXBNENTESA-N 1 0 399.535 3.954 20 30 GHEDRO CC(C)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC001154408111 1032086525 /nfs/dbraw/zinc/08/65/25/1032086525.db2.gz FCGXENSLBZYCGB-UHFFFAOYSA-N 1 0 396.535 3.576 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+](C)C)cc1 ZINC000468231301 1015458104 /nfs/dbraw/zinc/45/81/04/1015458104.db2.gz WSZUSSKLGPFMQM-NRFANRHFSA-N 1 0 388.471 3.808 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)ccc1OCCC(C)C ZINC000468792297 1016038335 /nfs/dbraw/zinc/03/83/35/1016038335.db2.gz BOUUYFSWEPXBIC-SJORKVTESA-N 1 0 387.524 3.722 20 30 GHEDRO CCN1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1c1ncc[nH]1 ZINC000471084533 1016949841 /nfs/dbraw/zinc/94/98/41/1016949841.db2.gz HGFZUPHENPOTIQ-HSZRJFAPSA-N 1 0 399.542 3.988 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC001226878026 1032171072 /nfs/dbraw/zinc/17/10/72/1032171072.db2.gz NAKCNOWRKVINBS-YADHBBJMSA-N 1 0 379.479 3.710 20 30 GHEDRO CC[C@@H](NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1)c1ccc(C)cc1C ZINC001220964917 1032212535 /nfs/dbraw/zinc/21/25/35/1032212535.db2.gz TYHZVASPUYNMLN-YSZBQJHXSA-N 1 0 375.516 3.963 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)NCc1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC001220994727 1032226242 /nfs/dbraw/zinc/22/62/42/1032226242.db2.gz DNHVCDWYFNEPIO-IBGZPJMESA-N 1 0 395.482 3.615 20 30 GHEDRO C=CCN1C[C@]2(CC[N@@H+](Cc3sc4scc(C)c4c3C)C2)OCC1=O ZINC001277200320 1032378233 /nfs/dbraw/zinc/37/82/33/1032378233.db2.gz BFXVCDGGXCUXIT-LJQANCHMSA-N 1 0 376.547 3.569 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc2c(c1)COC(C)(C)O2)c1ccccc1 ZINC001221361521 1032386355 /nfs/dbraw/zinc/38/63/55/1032386355.db2.gz VSAJLCVXRQEFKR-VQTJNVASSA-N 1 0 380.488 3.635 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCOc2ccc(OC(F)(F)F)cc21 ZINC001221364294 1032387177 /nfs/dbraw/zinc/38/71/77/1032387177.db2.gz TYHJPSCZHCANRQ-JKSUJKDBSA-N 1 0 386.414 3.989 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2c1Cl ZINC001155039474 1032390805 /nfs/dbraw/zinc/39/08/05/1032390805.db2.gz LUJVDYATRZFYAI-UWVGGRQHSA-N 1 0 389.208 3.752 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(F)cc(Br)cc1Br ZINC001227387486 1032399840 /nfs/dbraw/zinc/39/98/40/1032399840.db2.gz XYUJUVHCLPLSTC-SNVBAGLBSA-N 1 0 395.090 3.718 20 30 GHEDRO C#CCN1CC[C@]2(CCN(Cc3cc(F)cc(C(F)(F)F)c3Cl)C2)C1=O ZINC001277205060 1032401614 /nfs/dbraw/zinc/40/16/14/1032401614.db2.gz CKOMMGKDHNMEBT-KRWDZBQOSA-N 1 0 388.792 3.556 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)cc1 ZINC001221412911 1032405159 /nfs/dbraw/zinc/40/51/59/1032405159.db2.gz HDTKXSKJDHRTQS-JOCHJYFZSA-N 1 0 391.540 3.968 20 30 GHEDRO C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC001221629035 1032489131 /nfs/dbraw/zinc/48/91/31/1032489131.db2.gz PSBCIEGCFBPYCI-UZUQRXQVSA-N 1 0 388.515 3.682 20 30 GHEDRO C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC001221629032 1032489160 /nfs/dbraw/zinc/48/91/60/1032489160.db2.gz PSBCIEGCFBPYCI-GAJHUEQPSA-N 1 0 388.515 3.682 20 30 GHEDRO COCC[NH+]1CCC(Oc2ccc(C[C@@H](C#N)c3ccc(O)cc3)cc2)CC1 ZINC001227723410 1032530802 /nfs/dbraw/zinc/53/08/02/1032530802.db2.gz VTARYKPRJVJSBX-FQEVSTJZSA-N 1 0 380.488 3.732 20 30 GHEDRO COc1cccc(N(C2CC[NH2+]CC2)C(F)(F)c2ccnc(Cl)c2C#N)c1 ZINC001155604094 1032595800 /nfs/dbraw/zinc/59/58/00/1032595800.db2.gz BZUDWNYWGOEWMK-UHFFFAOYSA-N 1 0 392.837 3.923 20 30 GHEDRO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C(F)(F)F)c(Cl)c1)CC2 ZINC001276445246 1032616071 /nfs/dbraw/zinc/61/60/71/1032616071.db2.gz GTPRAOIODHSBKB-HNNXBMFYSA-N 1 0 384.829 3.710 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241336 1032686426 /nfs/dbraw/zinc/68/64/26/1032686426.db2.gz FJTQPYAKLBLCKA-QHCPKHFHSA-N 1 0 390.531 3.941 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(OC)cccc3OC)C2)CC1 ZINC001204247310 1032688099 /nfs/dbraw/zinc/68/80/99/1032688099.db2.gz HDIJIWTZOVSHES-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO N#CC1(CCCC[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CCC1 ZINC000929187280 1017636681 /nfs/dbraw/zinc/63/66/81/1017636681.db2.gz JCKLYQBOQIOEBV-UHFFFAOYSA-N 1 0 383.492 3.930 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)NCC(C)(C)CCC#N)[NH+]2CCCCC2)cc1 ZINC000562213736 1018074038 /nfs/dbraw/zinc/07/40/38/1018074038.db2.gz XXTNDFIWILTXFT-HXUWFJFHSA-N 1 0 386.540 3.851 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000562496918 1018229311 /nfs/dbraw/zinc/22/93/11/1018229311.db2.gz SMBOTAYPVXIXAK-UHFFFAOYSA-N 1 0 382.426 3.501 20 30 GHEDRO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000778090074 1018347219 /nfs/dbraw/zinc/34/72/19/1018347219.db2.gz PPZOXZMFQKPQIK-IBGZPJMESA-N 1 0 397.523 3.598 20 30 GHEDRO Cn1cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC001204318941 1032761757 /nfs/dbraw/zinc/76/17/57/1032761757.db2.gz ACGVWEWFMKFCCS-UHFFFAOYSA-N 1 0 387.487 3.836 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3ccc(CCC#N)cc3)cc2)CC1 ZINC000932566567 1018466798 /nfs/dbraw/zinc/46/67/98/1018466798.db2.gz FZIFOMRYMJLQHN-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000562887194 1018756972 /nfs/dbraw/zinc/75/69/72/1018756972.db2.gz XALLEYVOOLPSBB-CVDCTZTESA-N 1 0 388.515 3.919 20 30 GHEDRO C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCO1 ZINC000932942273 1018770295 /nfs/dbraw/zinc/77/02/95/1018770295.db2.gz GOUBRLQJHHDHTP-DBIOUOCHSA-N 1 0 381.307 3.904 20 30 GHEDRO Cc1noc(C)c1CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949671 1018781026 /nfs/dbraw/zinc/78/10/26/1018781026.db2.gz PTKNBQQPFTXMKR-QWRGUYRKSA-N 1 0 392.290 3.937 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](C3CCOCC3)C1)CCC2 ZINC000933081322 1018840871 /nfs/dbraw/zinc/84/08/71/1018840871.db2.gz INUCKDGIGRDQAF-INIZCTEOSA-N 1 0 387.549 3.576 20 30 GHEDRO Cc1nc(C#Cc2ccnc(N[C@@H](C)C[NH+](C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001155917249 1032792775 /nfs/dbraw/zinc/79/27/75/1032792775.db2.gz UHAQRQSXDQKAQV-INIZCTEOSA-N 1 0 391.494 3.785 20 30 GHEDRO Cc1nc(C#Cc2ccnc(N[C@H](C)C[NH+](C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001155917250 1032792880 /nfs/dbraw/zinc/79/28/80/1032792880.db2.gz UHAQRQSXDQKAQV-MRXNPFEDSA-N 1 0 391.494 3.785 20 30 GHEDRO C[C@@H](NC(=O)C[NH+]1CCC(CCC#N)CC1)c1ccc(Br)cc1 ZINC000564915568 1019129064 /nfs/dbraw/zinc/12/90/64/1019129064.db2.gz IUPOVXHMCREPRI-CQSZACIVSA-N 1 0 378.314 3.642 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccccc3C#N)CC2)c2cc(C)ccc21 ZINC001204370824 1032812802 /nfs/dbraw/zinc/81/28/02/1032812802.db2.gz MSVXFJOCGMQOCR-JOCHJYFZSA-N 1 0 388.515 3.774 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)CC2 ZINC000565509996 1019185320 /nfs/dbraw/zinc/18/53/20/1019185320.db2.gz BXNDFNVAOIWEKF-IBGZPJMESA-N 1 0 398.304 3.718 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000572803472 1019804518 /nfs/dbraw/zinc/80/45/18/1019804518.db2.gz PNFQJWWANMYADE-OXQOHEQNSA-N 1 0 378.524 3.779 20 30 GHEDRO Cc1n[nH]cc1C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000576058186 1019974730 /nfs/dbraw/zinc/97/47/30/1019974730.db2.gz FGZGKEINPDFCPU-LJQANCHMSA-N 1 0 393.535 3.850 20 30 GHEDRO CCC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(=O)N1CCc2sccc2C1 ZINC000576317050 1020005760 /nfs/dbraw/zinc/00/57/60/1020005760.db2.gz PGFPUVHIHBXTCZ-UXHICEINSA-N 1 0 379.529 3.950 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000600681912 1020210453 /nfs/dbraw/zinc/21/04/53/1020210453.db2.gz HYBFPFPIROQSJE-UHFFFAOYSA-N 1 0 396.318 3.582 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000191773633 1020810221 /nfs/dbraw/zinc/81/02/21/1020810221.db2.gz RPOBFDXINMEDBL-OAHLLOKOSA-N 1 0 395.931 3.916 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192045326 1020843650 /nfs/dbraw/zinc/84/36/50/1020843650.db2.gz XERWJPDQEJLRCZ-CTNGQTDRSA-N 1 0 383.879 3.706 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(O)c1 ZINC000779707724 1020923533 /nfs/dbraw/zinc/92/35/33/1020923533.db2.gz QDCLYALJDLZBOY-FFAHCDIZSA-N 1 0 390.487 3.725 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193795188 1020951706 /nfs/dbraw/zinc/95/17/06/1020951706.db2.gz IIQIZSJFKOUQRC-REWPJTCUSA-N 1 0 391.515 3.600 20 30 GHEDRO COC(=O)C1=C[C@H](Oc2ccc(/C=C\C(C)=O)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001228495210 1032957773 /nfs/dbraw/zinc/95/77/73/1032957773.db2.gz YQLCAVAAHKCGKD-AXKGWLQCSA-N 1 0 391.467 3.651 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2ncc(Cl)nc2C#N)cc1 ZINC001156293963 1032962429 /nfs/dbraw/zinc/96/24/29/1032962429.db2.gz KAKQSZVHCUPGFT-INIZCTEOSA-N 1 0 385.899 3.501 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC000834494934 1021224048 /nfs/dbraw/zinc/22/40/48/1021224048.db2.gz RBRPBENLXBZELQ-SWLSCSKDSA-N 1 0 383.498 3.628 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140399246 1021564378 /nfs/dbraw/zinc/56/43/78/1021564378.db2.gz SPFREMQVFSFMHD-GCJKJVERSA-N 1 0 383.467 3.609 20 30 GHEDRO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(OC)c1 ZINC000834881515 1021605812 /nfs/dbraw/zinc/60/58/12/1021605812.db2.gz RUFFYCSTSBVEFY-HOTGVXAUSA-N 1 0 384.476 3.897 20 30 GHEDRO CN1[C@@H]2C[C@@H](OC3=CC(=NNc4ccc([N+](=O)[O-])cc4)C=CC3=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228571264 1032991642 /nfs/dbraw/zinc/99/16/42/1032991642.db2.gz QSLONRIFTZNQCD-NALZTSGQSA-N 1 0 396.403 3.707 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CCC[C@@H]1O ZINC001140437558 1021706108 /nfs/dbraw/zinc/70/61/08/1021706108.db2.gz KIZJKZRZPRJPLH-YWZLYKJASA-N 1 0 383.492 3.889 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001140439008 1021710832 /nfs/dbraw/zinc/71/08/32/1021710832.db2.gz UEXCAKPYRSQZKU-GOSISDBHSA-N 1 0 380.492 3.576 20 30 GHEDRO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC001204633035 1033003488 /nfs/dbraw/zinc/00/34/88/1033003488.db2.gz PHEQCIKWRFAEFL-NRFANRHFSA-N 1 0 387.487 3.684 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000835067674 1021850521 /nfs/dbraw/zinc/85/05/21/1021850521.db2.gz AIJHSCWDFJPVCA-LEWJYISDSA-N 1 0 399.535 3.843 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)cn1 ZINC001140541990 1021941201 /nfs/dbraw/zinc/94/12/01/1021941201.db2.gz XLRYJFKMMWAHSA-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO C=CC[N@H+](Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1)C(C)(C)C ZINC001140572317 1021990366 /nfs/dbraw/zinc/99/03/66/1021990366.db2.gz KQJCYIKZCVPQMJ-UHFFFAOYSA-N 1 0 380.945 3.968 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]2C1 ZINC001140602117 1022048962 /nfs/dbraw/zinc/04/89/62/1022048962.db2.gz DZGUWXMWTDUFQK-DOTOQJQBSA-N 1 0 375.900 3.900 20 30 GHEDRO C=C(C[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1)c1ccccc1 ZINC000680338491 1022146902 /nfs/dbraw/zinc/14/69/02/1022146902.db2.gz CMZUECXRSWBTRW-JOCHJYFZSA-N 1 0 397.950 3.881 20 30 GHEDRO COc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001140730074 1022381837 /nfs/dbraw/zinc/38/18/37/1022381837.db2.gz ZOJGIZVANJMMIA-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO CC[C@H]1[N@H+](Cc2cc(F)c(C#N)c(F)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001140751884 1022433830 /nfs/dbraw/zinc/43/38/30/1022433830.db2.gz JDVLNQJQQMSUMS-IRLDBZIGSA-N 1 0 387.474 3.982 20 30 GHEDRO N#Cc1c(F)cc(CN2CCCN(c3ncccc3C(F)(F)F)CC2)cc1F ZINC001140755218 1022439941 /nfs/dbraw/zinc/43/99/41/1022439941.db2.gz VOFXZDQKAYTVSM-UHFFFAOYSA-N 1 0 396.363 3.963 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cc(F)c(C#N)c(F)c3)C[C@H]12 ZINC001140757757 1022448283 /nfs/dbraw/zinc/44/82/83/1022448283.db2.gz RJBRDVHYQGMODE-GOTSBHOMSA-N 1 0 395.453 3.601 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(C#N)cc3Br)cc2)CC1 ZINC001204746738 1033061327 /nfs/dbraw/zinc/06/13/27/1033061327.db2.gz BYNVEBOJQOGVNO-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c1Cl ZINC001140811867 1022601309 /nfs/dbraw/zinc/60/13/09/1022601309.db2.gz ZJGVSZNIJQCPCL-UHFFFAOYSA-N 1 0 379.891 3.666 20 30 GHEDRO O=C1C=C2CN(Cc3ccc(OC(F)F)c(OCC4CC4)c3)CC[C@H]2S1 ZINC001140904213 1022839262 /nfs/dbraw/zinc/83/92/62/1022839262.db2.gz LESMNRUCWUBMLR-QGZVFWFLSA-N 1 0 381.444 3.851 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(O)c(OC)c1 ZINC000754726864 1022861828 /nfs/dbraw/zinc/86/18/28/1022861828.db2.gz XPUYUJAZYHSMFQ-UHFFFAOYSA-N 1 0 386.536 3.744 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c(O)c(OC)c1 ZINC000754726748 1022862264 /nfs/dbraw/zinc/86/22/64/1022862264.db2.gz TYXIYOPGTSBGNE-UHFFFAOYSA-N 1 0 375.472 3.873 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000754738454 1022869286 /nfs/dbraw/zinc/86/92/86/1022869286.db2.gz BVKSETTVMSZQLN-KRWDZBQOSA-N 1 0 376.497 3.571 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000754748661 1022877792 /nfs/dbraw/zinc/87/77/92/1022877792.db2.gz QKLNDLFFUWNQCD-JKSUJKDBSA-N 1 0 390.524 3.864 20 30 GHEDRO CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC001141055492 1023401384 /nfs/dbraw/zinc/40/13/84/1023401384.db2.gz DQDDDLUINQWBTF-ROUUACIJSA-N 1 0 381.561 3.547 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)CCO2 ZINC001141076533 1023438923 /nfs/dbraw/zinc/43/89/23/1023438923.db2.gz HQCGDAGUICIJCG-ILBGXUMGSA-N 1 0 396.575 3.959 20 30 GHEDRO C[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000756024600 1023482860 /nfs/dbraw/zinc/48/28/60/1023482860.db2.gz STTJOYAPEFYDQK-NTKDMRAZSA-N 1 0 382.467 3.887 20 30 GHEDRO 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ZINC001141295720 1024432038 /nfs/dbraw/zinc/43/20/38/1024432038.db2.gz IYYZZCNIGKOYCB-UHFFFAOYSA-N 1 0 379.504 3.629 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3sccc3OC)C[C@@H]2c2ccccc2)C1=O ZINC001141322795 1024549645 /nfs/dbraw/zinc/54/96/45/1024549645.db2.gz AQRIMPQEOLIERL-GCJKJVERSA-N 1 0 382.529 3.761 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)cc1OC ZINC001138342764 1024703834 /nfs/dbraw/zinc/70/38/34/1024703834.db2.gz CZZVOKMYJKEDLN-QGZVFWFLSA-N 1 0 388.508 3.539 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCCN4C)C2)C1 ZINC001138354732 1024716796 /nfs/dbraw/zinc/71/67/96/1024716796.db2.gz SATHSTYJMSVOCY-HSZRJFAPSA-N 1 0 383.536 3.680 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c(F)cccc3OC)C[C@@H]2c2ccccc2)C1=O ZINC001138381906 1024751057 /nfs/dbraw/zinc/75/10/57/1024751057.db2.gz BNBHMKYMYKBTQY-YKSBVNFPSA-N 1 0 394.490 3.838 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(F)c(OC)c(F)c3)CC2)C1 ZINC001138421569 1024812316 /nfs/dbraw/zinc/81/23/16/1024812316.db2.gz RGRDOTLKWHTKPG-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)c(OC)cc1C)C2 ZINC001138437945 1024848685 /nfs/dbraw/zinc/84/86/85/1024848685.db2.gz SUYGNGUUWVZEIU-VXKWHMMOSA-N 1 0 375.509 3.586 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3OC)C2)C1 ZINC001138480188 1024909969 /nfs/dbraw/zinc/90/99/69/1024909969.db2.gz PMMFXTUQERMINJ-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cc1 ZINC001138558478 1025020222 /nfs/dbraw/zinc/02/02/22/1025020222.db2.gz XIMVGOJJZPVRBK-XUZZJYLKSA-N 1 0 392.499 3.544 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)cc1 ZINC001138559744 1025021060 /nfs/dbraw/zinc/02/10/60/1025021060.db2.gz RBKPWULCDFRAHN-UHFFFAOYSA-N 1 0 394.540 3.888 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(Nc4onc(C(C)(C)C)c4C#N)cc3)CC2)CC1 ZINC001205102240 1033251933 /nfs/dbraw/zinc/25/19/33/1033251933.db2.gz KMYVVDGVAIJBGF-UHFFFAOYSA-N 1 0 379.508 3.824 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC001138598120 1025080891 /nfs/dbraw/zinc/08/08/91/1025080891.db2.gz KGEWVWXMXADCKY-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001138609884 1025099994 /nfs/dbraw/zinc/09/99/94/1025099994.db2.gz IFXIUSBHBNCBND-HSZRJFAPSA-N 1 0 383.536 3.897 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCOC)[C@@H]2CC)c1O ZINC001138626963 1025125383 /nfs/dbraw/zinc/12/53/83/1025125383.db2.gz UPNAWTYTDABWDC-REWPJTCUSA-N 1 0 386.536 3.503 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2Cc3cn(CC4CC4)nc3[C@@H](COCC)C2)c1O ZINC001138627075 1025125881 /nfs/dbraw/zinc/12/58/81/1025125881.db2.gz WPJGCXDRXLYHCZ-OAQYLSRUSA-N 1 0 381.520 3.863 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(Oc3ccc(C(=O)OC)cc3)CC2)c1O ZINC001138628908 1025130611 /nfs/dbraw/zinc/13/06/11/1025130611.db2.gz JMGUYHTVSZMVLE-UHFFFAOYSA-N 1 0 381.472 3.951 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001138647954 1025160165 /nfs/dbraw/zinc/16/01/65/1025160165.db2.gz LTWBKWBVVZLPAR-VXKWHMMOSA-N 1 0 385.483 3.585 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)cc1 ZINC001138650652 1025164214 /nfs/dbraw/zinc/16/42/14/1025164214.db2.gz BLNQTMPXRCBSSP-QFIPXVFZSA-N 1 0 376.435 3.926 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001138661772 1025180607 /nfs/dbraw/zinc/18/06/07/1025180607.db2.gz ZXRGRGXBOHRIKE-HXUWFJFHSA-N 1 0 398.547 3.681 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001138663866 1025185947 /nfs/dbraw/zinc/18/59/47/1025185947.db2.gz FMDHUDDLXJVCEP-XUZZJYLKSA-N 1 0 376.500 3.747 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000832259828 1025382162 /nfs/dbraw/zinc/38/21/62/1025382162.db2.gz WNWZGQHWKCRODV-ACRUOGEOSA-N 1 0 399.535 3.561 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000838958416 1025475121 /nfs/dbraw/zinc/47/51/21/1025475121.db2.gz LXQUEAOIDIMUDU-RXVVDRJESA-N 1 0 379.504 3.882 20 30 GHEDRO N#Cc1cc(Cl)nnc1NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001162051794 1025566885 /nfs/dbraw/zinc/56/68/85/1025566885.db2.gz DFZRMHLGTFDUHD-UHFFFAOYSA-N 1 0 395.816 3.797 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 ZINC001162461290 1025755122 /nfs/dbraw/zinc/75/51/22/1025755122.db2.gz OHLYEYDCIFEPBM-MOPGFXCFSA-N 1 0 391.519 3.690 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001139028294 1025794226 /nfs/dbraw/zinc/79/42/26/1025794226.db2.gz RILZPDONRAACAN-JTHBVZDNSA-N 1 0 380.488 3.849 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)C(C)C)O2 ZINC001139027848 1025795452 /nfs/dbraw/zinc/79/54/52/1025795452.db2.gz DRTYUYOQGDVBBU-NFBKMPQASA-N 1 0 386.536 3.537 20 30 GHEDRO COC(=O)Nc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC001461049365 1069360574 /nfs/dbraw/zinc/36/05/74/1069360574.db2.gz NAPUCHADRQINKS-UHFFFAOYSA-N 1 0 383.448 3.846 20 30 GHEDRO COCC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccc(C#N)cc1 ZINC000839475411 1025965405 /nfs/dbraw/zinc/96/54/05/1025965405.db2.gz UCKUSVKJFPTMNM-FQEVSTJZSA-N 1 0 387.524 3.654 20 30 GHEDRO COCC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccc(C#N)cc1 ZINC000839475412 1025965549 /nfs/dbraw/zinc/96/55/49/1025965549.db2.gz UCKUSVKJFPTMNM-HXUWFJFHSA-N 1 0 387.524 3.654 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001163288324 1026126567 /nfs/dbraw/zinc/12/65/67/1026126567.db2.gz CNWCURQRDSNUJZ-RBDILJKVSA-N 1 0 391.581 3.528 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(N3CCC(O)CC3)s2)CC1 ZINC001139296120 1026148324 /nfs/dbraw/zinc/14/83/24/1026148324.db2.gz HNSOKRUWGOEQMF-UHFFFAOYSA-N 1 0 397.544 3.624 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1ncc(C)cc1/C=N/O)c1ccc(Cl)cc1 ZINC001163385032 1026170912 /nfs/dbraw/zinc/17/09/12/1026170912.db2.gz SJBPLAIOLUVINR-KCDOPAPYSA-N 1 0 376.888 3.583 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N[C@@H](Cc2ccc(C#N)cc2)C(=O)OC)nc1 ZINC001163506338 1026219432 /nfs/dbraw/zinc/21/94/32/1026219432.db2.gz QFYPZQMDZVOFSQ-SFTDATJTSA-N 1 0 392.503 3.696 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@@](O)(C(F)(F)F)C3)cc2)c1 ZINC001139402005 1026273302 /nfs/dbraw/zinc/27/33/02/1026273302.db2.gz KQIOTHYGJASPNZ-IBGZPJMESA-N 1 0 375.394 3.900 20 30 GHEDRO Cc1cnc(OC2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)nc1 ZINC001139405933 1026279312 /nfs/dbraw/zinc/27/93/12/1026279312.db2.gz FTSDJIKGGMZJAZ-UHFFFAOYSA-N 1 0 385.471 3.762 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139407178 1026280580 /nfs/dbraw/zinc/28/05/80/1026280580.db2.gz SQZVSSFELIKQDC-IBGZPJMESA-N 1 0 392.503 3.967 20 30 GHEDRO COc1cc(OC)c(C2OCCO2)cc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163683498 1026281959 /nfs/dbraw/zinc/28/19/59/1026281959.db2.gz DETBEIKJHCXPKW-UHFFFAOYSA-N 1 0 396.365 3.805 20 30 GHEDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139429567 1026299299 /nfs/dbraw/zinc/29/92/99/1026299299.db2.gz VIKRFXLXHNZXJU-LJQANCHMSA-N 1 0 379.460 3.911 20 30 GHEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(F)cc2I)cc1 ZINC001203113603 1026406231 /nfs/dbraw/zinc/40/62/31/1026406231.db2.gz NQFROKZNFKASDY-UHFFFAOYSA-N 1 0 380.204 3.634 20 30 GHEDRO C[C@@]1(Nc2cnc(C#N)c(C#N)n2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001164265275 1026469173 /nfs/dbraw/zinc/46/91/73/1026469173.db2.gz RLVHOAZTHBMPSX-GBXCKJPGSA-N 1 0 394.482 3.690 20 30 GHEDRO C[C@@]1(CNC(=O)[C@@H](C#N)CCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001139617220 1026482161 /nfs/dbraw/zinc/48/21/61/1026482161.db2.gz LZWXIZYNLITIRT-VWNXMTODSA-N 1 0 375.516 3.787 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001139648978 1026510383 /nfs/dbraw/zinc/51/03/83/1026510383.db2.gz IXZSCEOAYOHDPR-UHFFFAOYSA-N 1 0 397.494 3.811 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cc(C#N)ccc3F)CC2)c2ccccc21 ZINC001139649329 1026510609 /nfs/dbraw/zinc/51/06/09/1026510609.db2.gz ZAUCJZUQASAERC-GOSISDBHSA-N 1 0 391.490 3.855 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001164439219 1026514316 /nfs/dbraw/zinc/51/43/16/1026514316.db2.gz NWFHCCQJBYXFEP-UHFFFAOYSA-N 1 0 376.838 3.648 20 30 GHEDRO COC(=O)c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1CC#N ZINC001164499493 1026536914 /nfs/dbraw/zinc/53/69/14/1026536914.db2.gz RIHQVYOCWRVZLW-UEVCKROQSA-N 1 0 389.499 3.862 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3c[nH]c4c3cccc4C#N)C2)C1 ZINC001139703320 1026548617 /nfs/dbraw/zinc/54/86/17/1026548617.db2.gz LYFNBAOKXVOCKA-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO N#Cc1cccc2c(CN3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c[nH]c21 ZINC001139705051 1026550212 /nfs/dbraw/zinc/55/02/12/1026550212.db2.gz KTCPECFAROHWKM-CTNGQTDRSA-N 1 0 390.462 3.516 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc1C#N ZINC001139723689 1026565877 /nfs/dbraw/zinc/56/58/77/1026565877.db2.gz DPFBYNFJXDVSEK-UHFFFAOYSA-N 1 0 393.506 3.873 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccc(C)c(C#N)c2)CC3)cs1 ZINC001139724632 1026567887 /nfs/dbraw/zinc/56/78/87/1026567887.db2.gz YAMBVUIDDPUDOU-OAQYLSRUSA-N 1 0 397.544 3.972 20 30 GHEDRO CN(c1ncnc2[nH]cc(C#N)c21)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001165126930 1026621186 /nfs/dbraw/zinc/62/11/86/1026621186.db2.gz NYGPAWBQBUBOKL-UHFFFAOYSA-N 1 0 394.482 3.740 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001165267455 1026685470 /nfs/dbraw/zinc/68/54/70/1026685470.db2.gz CPOKBAASGBBLJL-QGZVFWFLSA-N 1 0 381.518 3.821 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165268411 1026686749 /nfs/dbraw/zinc/68/67/49/1026686749.db2.gz APYQMJVLTCTJLF-KRWDZBQOSA-N 1 0 381.518 3.821 20 30 GHEDRO CC(C)(C)N(c1nc(-c2ccncc2)ccc1C#N)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670666 1026791598 /nfs/dbraw/zinc/79/15/98/1026791598.db2.gz SJWXUUHAFAVDPO-LJQANCHMSA-N 1 0 391.519 3.531 20 30 GHEDRO Cc1nccn1-c1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001140027123 1026814672 /nfs/dbraw/zinc/81/46/72/1026814672.db2.gz ZNNHQXBODONZIC-UHFFFAOYSA-N 1 0 375.451 3.514 20 30 GHEDRO Cc1cccc(N(c2ncc(CC#N)cc2Cl)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165777342 1026834576 /nfs/dbraw/zinc/83/45/76/1026834576.db2.gz RSKZGSJLUWBAQO-NQIIRXRSSA-N 1 0 382.895 3.769 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cc(F)ccc4O)C3)C2)c1 ZINC001140055830 1026835228 /nfs/dbraw/zinc/83/52/28/1026835228.db2.gz XBZXMYPDYYUCFL-QHCPKHFHSA-N 1 0 395.478 3.522 20 30 GHEDRO COc1ccc(CN2CC[NH+](C)CC2)cc1NC(C)(C)c1ccc(C#N)cc1 ZINC001165792194 1026838323 /nfs/dbraw/zinc/83/83/23/1026838323.db2.gz NGOGQYYVACLQSD-UHFFFAOYSA-N 1 0 378.520 3.661 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1[nH]nc3ccc(OC)cc31)CC2 ZINC001140065708 1026846090 /nfs/dbraw/zinc/84/60/90/1026846090.db2.gz KLYQMXDRWXCLAD-UHFFFAOYSA-N 1 0 398.507 3.572 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC001461161535 1069419732 /nfs/dbraw/zinc/41/97/32/1069419732.db2.gz RFUWOBBTYTYEHC-UHFFFAOYSA-N 1 0 389.341 3.683 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3c[nH]c4ccc(C#N)cc34)C2)CC1 ZINC001140111002 1026891885 /nfs/dbraw/zinc/89/18/85/1026891885.db2.gz WIPKWLRGYXAWQI-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)CC[C@@H]21 ZINC001140110912 1026891904 /nfs/dbraw/zinc/89/19/04/1026891904.db2.gz UWVJWIGWNTXMRL-UZLBHIALSA-N 1 0 380.492 3.871 20 30 GHEDRO Cc1cc(N2CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)n(-c2ccccc2)n1 ZINC001140115591 1026897397 /nfs/dbraw/zinc/89/73/97/1026897397.db2.gz ICLWHDPZPFPYQL-UHFFFAOYSA-N 1 0 396.498 3.856 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)c(F)c3)C2)C1=O ZINC001140210410 1026983969 /nfs/dbraw/zinc/98/39/69/1026983969.db2.gz BRUCNTQNHVIAMN-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO Cc1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)[nH+]c1C ZINC001166451337 1027004915 /nfs/dbraw/zinc/00/49/15/1027004915.db2.gz KHCNYZPGHLAZPZ-QHCPKHFHSA-N 1 0 376.504 3.694 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccccc3N(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001209776347 1027183027 /nfs/dbraw/zinc/18/30/27/1027183027.db2.gz XCBSNULPSIOYBP-RDGATRHJSA-N 1 0 389.543 3.757 20 30 GHEDRO O[C@@H](CC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)F ZINC001203352021 1027287699 /nfs/dbraw/zinc/28/76/99/1027287699.db2.gz MXADGHAWBDLAQH-CMPLNLGQSA-N 1 0 381.263 3.664 20 30 GHEDRO Cc1ccc(CN2CCO[C@@H](C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)cc1 ZINC001203403747 1027315216 /nfs/dbraw/zinc/31/52/16/1027315216.db2.gz YRJZTFCZDQWKPJ-QHCPKHFHSA-N 1 0 375.516 3.541 20 30 GHEDRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001203502148 1027386154 /nfs/dbraw/zinc/38/61/54/1027386154.db2.gz SGPYPICMKODREL-LJQANCHMSA-N 1 0 382.460 3.627 20 30 GHEDRO Cc1ccc(C#N)cc1Nc1ccc(N2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC001210501770 1027536127 /nfs/dbraw/zinc/53/61/27/1027536127.db2.gz SJZPOXDHZXFJFL-UHFFFAOYSA-N 1 0 389.547 3.827 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)c1C ZINC001203720308 1027552189 /nfs/dbraw/zinc/55/21/89/1027552189.db2.gz SMPOGEURIVKUGA-XMMPIXPASA-N 1 0 389.499 3.813 20 30 GHEDRO CN(Cc1cc(Br)ccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141903159 1027627733 /nfs/dbraw/zinc/62/77/33/1027627733.db2.gz TVXOMURYTZDPNA-MRXNPFEDSA-N 1 0 394.313 3.762 20 30 GHEDRO CCOCC[N@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203906668 1027698148 /nfs/dbraw/zinc/69/81/48/1027698148.db2.gz RNTPNCSIYPBRGI-UHFFFAOYSA-N 1 0 387.524 3.796 20 30 GHEDRO CSc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)ccc1C#N ZINC001141934643 1027700011 /nfs/dbraw/zinc/70/00/11/1027700011.db2.gz SGBJITPFXQKJFB-BGYRXZFFSA-N 1 0 378.545 3.547 20 30 GHEDRO CSc1nc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC001141943582 1027721318 /nfs/dbraw/zinc/72/13/18/1027721318.db2.gz AUQIELGRNKTUCJ-UHFFFAOYSA-N 1 0 378.545 3.773 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001210971512 1027729417 /nfs/dbraw/zinc/72/94/17/1027729417.db2.gz VTKFYCDJBGQSHR-OSZJIOELSA-N 1 0 385.552 3.697 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc1 ZINC001203955792 1027753792 /nfs/dbraw/zinc/75/37/92/1027753792.db2.gz LPHNIYIFKUKZIQ-DEOSSOPVSA-N 1 0 391.515 3.686 20 30 GHEDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C[C@H]2C1 ZINC001141976049 1027788589 /nfs/dbraw/zinc/78/85/89/1027788589.db2.gz UCFYUKLOOPCPTE-OWZKRDHZSA-N 1 0 390.552 3.885 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2c(C#N)cnn2-c2ccccc2Br)c1 ZINC001211136914 1027804335 /nfs/dbraw/zinc/80/43/35/1027804335.db2.gz XVCQRUAKWGYFBJ-UHFFFAOYSA-N 1 0 382.265 3.969 20 30 GHEDRO C[NH2+]Cc1ccc(Nc2ccc(I)c(F)c2C#N)cc1 ZINC001211135210 1027804434 /nfs/dbraw/zinc/80/44/34/1027804434.db2.gz MIVZKBIFFIPSEM-UHFFFAOYSA-N 1 0 381.192 3.765 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(OCC)c(Cl)c3)C2)C1=O ZINC001276438215 1027844448 /nfs/dbraw/zinc/84/44/48/1027844448.db2.gz AMHNDWHXVGAVRH-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO N#Cc1ccc([C@H](c2nc(-c3cccc4ccccc43)no2)N2CC[NH2+]CC2)cc1 ZINC001211379512 1027931209 /nfs/dbraw/zinc/93/12/09/1027931209.db2.gz JDIXPEPHICQAGQ-JOCHJYFZSA-N 1 0 395.466 3.756 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000841085401 1028108924 /nfs/dbraw/zinc/10/89/24/1028108924.db2.gz BDFCCDFCLYXSCG-SJKOYZFVSA-N 1 0 390.365 3.731 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)c1 ZINC000841309033 1028402084 /nfs/dbraw/zinc/40/20/84/1028402084.db2.gz WCSHOQAKEDCOHZ-UHFFFAOYSA-N 1 0 381.436 3.880 20 30 GHEDRO C#C[C@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001214897581 1028957824 /nfs/dbraw/zinc/95/78/24/1028957824.db2.gz AIQBQYPBMPJJOI-SFHVURJKSA-N 1 0 388.943 3.892 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)c2)s1 ZINC000841831702 1028972042 /nfs/dbraw/zinc/97/20/42/1028972042.db2.gz ZIEVXNUKAUWDBW-LJQANCHMSA-N 1 0 394.544 3.818 20 30 GHEDRO CNc1cc(Nc2ncc(Br)nc2C#C[Si](C)(C)C)cc[nH+]1 ZINC001216333118 1029606898 /nfs/dbraw/zinc/60/68/98/1029606898.db2.gz HQOJSMFAHIKZCY-UHFFFAOYSA-N 1 0 376.334 3.648 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1Cl ZINC001461560000 1069609164 /nfs/dbraw/zinc/60/91/64/1069609164.db2.gz OETOYYLGKICMGI-INIZCTEOSA-N 1 0 396.915 3.630 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001142900084 1029661034 /nfs/dbraw/zinc/66/10/34/1029661034.db2.gz GIRWVDSLKKRJCK-NHCUHLMSSA-N 1 0 395.453 3.918 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)CC[C@@H]21 ZINC001142916003 1029688557 /nfs/dbraw/zinc/68/85/57/1029688557.db2.gz LOMOOXOZCDBPIW-UZLBHIALSA-N 1 0 380.492 3.871 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142922578 1029698149 /nfs/dbraw/zinc/69/81/49/1029698149.db2.gz MXXKTWXDWSIYHY-FUHWJXTLSA-N 1 0 380.492 3.728 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)C1=O ZINC001142929070 1029710791 /nfs/dbraw/zinc/71/07/91/1029710791.db2.gz URDWXVUVACNUDF-QFIPXVFZSA-N 1 0 398.510 3.878 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC001216741963 1029913796 /nfs/dbraw/zinc/91/37/96/1029913796.db2.gz GSQUAHCJZZXIOU-HXUWFJFHSA-N 1 0 379.504 3.773 20 30 GHEDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC001216783157 1029932971 /nfs/dbraw/zinc/93/29/71/1029932971.db2.gz UBXNIVOJLOKHBS-LJQANCHMSA-N 1 0 399.539 3.882 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1=O ZINC001276827380 1029965359 /nfs/dbraw/zinc/96/53/59/1029965359.db2.gz GGVBWDCAUJONON-LJQANCHMSA-N 1 0 384.854 3.942 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000843482730 1030035611 /nfs/dbraw/zinc/03/56/11/1030035611.db2.gz AZHFOQQZVAMCGI-GXFZAYBSSA-N 1 0 390.274 3.836 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC001217008258 1030080731 /nfs/dbraw/zinc/08/07/31/1030080731.db2.gz OHTDZHSUNGHMOA-STQMWFEESA-N 1 0 384.402 3.841 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C12CCC2 ZINC001149205933 1030091524 /nfs/dbraw/zinc/09/15/24/1030091524.db2.gz NGEFZLPRVKKEPX-LEWJYISDSA-N 1 0 375.472 3.953 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(-c2nc(-c3cc(F)cc(C#N)c3)no2)cc1 ZINC001217115732 1030175810 /nfs/dbraw/zinc/17/58/10/1030175810.db2.gz BKSAMFBDCLNIIH-UHFFFAOYSA-N 1 0 393.466 3.798 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)C(F)(F)c1ccccc1C#N)Cc1ccccc12 ZINC001149507543 1030200187 /nfs/dbraw/zinc/20/01/87/1030200187.db2.gz BVLBQEVHUUZEFF-UHFFFAOYSA-N 1 0 395.453 3.656 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601938 1030225866 /nfs/dbraw/zinc/22/58/66/1030225866.db2.gz DPIPDVIARRFMAC-LJQANCHMSA-N 1 0 382.305 3.510 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001149846863 1030321390 /nfs/dbraw/zinc/32/13/90/1030321390.db2.gz HCUGQKDEKPQGNE-IBGZPJMESA-N 1 0 380.488 3.573 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(F)cc(F)cc3Br)CC2)C1=O ZINC001276844012 1030341834 /nfs/dbraw/zinc/34/18/34/1030341834.db2.gz LKCPHJYUDBETTD-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217715337 1030623694 /nfs/dbraw/zinc/62/36/94/1030623694.db2.gz WKYIYDTUFXSSMS-OTWHNJEPSA-N 1 0 378.863 3.978 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217952835 1030685487 /nfs/dbraw/zinc/68/54/87/1030685487.db2.gz WAUYMRHYFAKFJB-YCSJFFEASA-N 1 0 397.494 3.789 20 30 GHEDRO CCCCC/C=C/C(=O)CCc1ccc(O[C@@H]2COC3(C[NH2+]C3)C2)c(OC)c1 ZINC001218063197 1030751287 /nfs/dbraw/zinc/75/12/87/1030751287.db2.gz SGFOSBZRFYYXTH-DUIUGDAFSA-N 1 0 387.520 3.843 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[NH2+][C@@H](C)C3)c(C#N)c2)nc1C ZINC001218063302 1030751635 /nfs/dbraw/zinc/75/16/35/1030751635.db2.gz YHZYCSARMNQAJD-LRDDRELGSA-N 1 0 385.489 3.686 20 30 GHEDRO COc1cc(O)cc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c1C(=O)/C=C/c1ccccc1 ZINC001218133341 1030789633 /nfs/dbraw/zinc/78/96/33/1030789633.db2.gz BHFSPHDQPQOGPP-PIQBZLPPSA-N 1 0 379.456 3.674 20 30 GHEDRO COC(=O)CCc1cc(C(C)(C)C)c(O[C@H]2C[NH2+]C[C@@H]2C#N)c(C(C)(C)C)c1 ZINC001218199226 1030823869 /nfs/dbraw/zinc/82/38/69/1030823869.db2.gz BULIZFIHYJXMDV-LPHOPBHVSA-N 1 0 386.536 3.878 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(/C=C\C(=O)CCCCc2ccc(O)cc2)cc1 ZINC001218201038 1030825474 /nfs/dbraw/zinc/82/54/74/1030825474.db2.gz JSSFAPJHBWGHLW-YZPBPWSLSA-N 1 0 390.483 3.878 20 30 GHEDRO C(#C[C@H](Oc1ccnc2c3c(nn21)CC[NH2+]C3)c1ccccc1)c1ccccc1 ZINC001218439287 1030936722 /nfs/dbraw/zinc/93/67/22/1030936722.db2.gz RXYFGTSABSSVLS-QFIPXVFZSA-N 1 0 380.451 3.547 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(NC(C)=O)cc(Cl)cc1C(=O)OCC ZINC001218456089 1030943211 /nfs/dbraw/zinc/94/32/11/1030943211.db2.gz SIAQOWSTOHUEAJ-NVXWUHKLSA-N 1 0 380.872 3.551 20 30 GHEDRO N#Cc1c(NC(=O)[C@](O)(c2ccccc2)C2CCCCC2)sc2c1CC[NH2+]C2 ZINC001218553480 1030984248 /nfs/dbraw/zinc/98/42/48/1030984248.db2.gz PWAVCNVWJREJTH-QFIPXVFZSA-N 1 0 395.528 3.672 20 30 GHEDRO N#Cc1c(NC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218554216 1030985361 /nfs/dbraw/zinc/98/53/61/1030985361.db2.gz PIVPLTXZIWLUQT-HSALFYBXSA-N 1 0 399.450 3.658 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1CO[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224430733 1031001368 /nfs/dbraw/zinc/00/13/68/1031001368.db2.gz UWGBTGYKCFCPNU-UXHICEINSA-N 1 0 385.508 3.549 20 30 GHEDRO C=C(C)C(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001218686994 1031033971 /nfs/dbraw/zinc/03/39/71/1031033971.db2.gz OPQDVCLFGQJOHV-HNNXBMFYSA-N 1 0 387.480 3.551 20 30 GHEDRO Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)cc(C)c1Br ZINC001218816782 1031095050 /nfs/dbraw/zinc/09/50/50/1031095050.db2.gz UZBDBVSNJHZXBN-MSOLQXFVSA-N 1 0 398.304 3.879 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)cnc3OCC)CC2)C1=O ZINC001276996543 1031118252 /nfs/dbraw/zinc/11/82/52/1031118252.db2.gz LAGIGZZGSGOZOI-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO N#Cc1c(F)ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cccc(C(F)(F)F)c2)c1F ZINC001218914527 1031150313 /nfs/dbraw/zinc/15/03/13/1031150313.db2.gz XZLKNEJGWXPKBK-KGLIPLIRSA-N 1 0 395.331 3.797 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)OC)c1C)C(C)C ZINC001219037102 1031225166 /nfs/dbraw/zinc/22/51/66/1031225166.db2.gz UYRHQXOEFVMKFM-SFHVURJKSA-N 1 0 391.487 3.741 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC1CC[NH+](CC)CC1 ZINC001219083900 1031247808 /nfs/dbraw/zinc/24/78/08/1031247808.db2.gz BTIALCPXXPDZOS-UHFFFAOYSA-N 1 0 396.329 3.867 20 30 GHEDRO C#C[C@@H](O[C@@H]1C[N@H+](Cc2ccccc2)C2(C1)CCC1(CC2)OCCO1)C(C)C ZINC001225175272 1031298787 /nfs/dbraw/zinc/29/87/87/1031298787.db2.gz RKJSDKLXPLSJJY-FCHUYYIVSA-N 1 0 383.532 3.991 20 30 GHEDRO CCOC(=O)/C=C/c1ccc(Cl)cc1NC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001219410804 1031406664 /nfs/dbraw/zinc/40/66/64/1031406664.db2.gz JLONHSVCSLUINP-XSFOEPMVSA-N 1 0 397.862 3.817 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)nc1 ZINC001219422540 1031411215 /nfs/dbraw/zinc/41/12/15/1031411215.db2.gz MLLVDTQOYUZLSN-HXUWFJFHSA-N 1 0 393.450 3.677 20 30 GHEDRO C=CC[C@@H]1[C@H](Oc2ccc(CC(=[NH2+])NO)cc2)CCCN1C(=O)OC(C)(C)C ZINC001225551203 1031474472 /nfs/dbraw/zinc/47/44/72/1031474472.db2.gz VAPAALFFGBQALG-QZTJIDSGSA-N 1 0 389.496 3.908 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219540961 1031485056 /nfs/dbraw/zinc/48/50/56/1031485056.db2.gz JVFCWRGAHGZVQX-PXNSSMCTSA-N 1 0 376.532 3.616 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=O)C#Cc1ccc(F)cc1F)CC21CC[NH2+]CC1 ZINC001219753495 1031593665 /nfs/dbraw/zinc/59/36/65/1031593665.db2.gz IXMBRRFPUHWODO-NRFANRHFSA-N 1 0 380.438 3.507 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccnn1-c1ccc(F)cc1)C(C)C ZINC001219821653 1031635406 /nfs/dbraw/zinc/63/54/06/1031635406.db2.gz PAPGCUZSBOZKHR-IBGZPJMESA-N 1 0 385.487 3.832 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NC2c3ccccc3-c3ccccc32)C1 ZINC001220067501 1031765841 /nfs/dbraw/zinc/76/58/41/1031765841.db2.gz NDXYLFHWONBURF-OSPHWJPCSA-N 1 0 393.490 3.965 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1c(Cl)cccc1SC)CC2 ZINC001277106652 1031839010 /nfs/dbraw/zinc/83/90/10/1031839010.db2.gz ACFCZIRSXUUUFT-UHFFFAOYSA-N 1 0 376.953 3.900 20 30 GHEDRO N#Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001220597148 1032002077 /nfs/dbraw/zinc/00/20/77/1032002077.db2.gz WSOPBRDDKGEVNT-HSALFYBXSA-N 1 0 399.416 3.684 20 30 GHEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(O)ccc1C(=O)/C=C/c1ccc(O)cc1)C2 ZINC001229265249 1033377821 /nfs/dbraw/zinc/37/78/21/1033377821.db2.gz JSWSEXRRLAHQKB-KYDICKRGSA-N 1 0 379.456 3.998 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N(CCc1ccccc1)Cc1ccc(C)s1 ZINC001229292434 1033394397 /nfs/dbraw/zinc/39/43/97/1033394397.db2.gz SIQQJTRAVMSPPZ-UHFFFAOYSA-N 1 0 383.561 3.766 20 30 GHEDRO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3c(Cl)cc(F)cc3Cl)C2)C1=O ZINC001277374132 1033398750 /nfs/dbraw/zinc/39/87/50/1033398750.db2.gz KCQWIKZKOSLMRU-GOSISDBHSA-N 1 0 384.282 3.861 20 30 GHEDRO C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC001229307421 1033408860 /nfs/dbraw/zinc/40/88/60/1033408860.db2.gz WPYUYABSGIPPHA-HXUWFJFHSA-N 1 0 388.508 3.765 20 30 GHEDRO CCn1c(O[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(C)c(C#N)c1=O ZINC001229322805 1033414237 /nfs/dbraw/zinc/41/42/37/1033414237.db2.gz IDJWLUOCJHCBNP-HXUWFJFHSA-N 1 0 379.504 3.728 20 30 GHEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC001205448272 1033416303 /nfs/dbraw/zinc/41/63/03/1033416303.db2.gz GLIUGLMZVPJKHV-INIZCTEOSA-N 1 0 393.491 3.873 20 30 GHEDRO C[NH+](C)C1CCC(Oc2ccc(O)c3c2C(=O)C(Cl)=C(Cl)C3=O)CC1 ZINC001229379110 1033447469 /nfs/dbraw/zinc/44/74/69/1033447469.db2.gz QQFKRBHFXGSQLO-UHFFFAOYSA-N 1 0 384.259 3.712 20 30 GHEDRO C[NH+]1CCC(Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)CC1 ZINC001229383544 1033450594 /nfs/dbraw/zinc/45/05/94/1033450594.db2.gz LHMOCPQUMUGOEQ-WZGDJCGDSA-N 1 0 379.504 3.793 20 30 GHEDRO C#C[C@@H](CC)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001229533230 1033543789 /nfs/dbraw/zinc/54/37/89/1033543789.db2.gz ZWSWENHXUUADDX-FDFHNCONSA-N 1 0 379.479 3.505 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cccc(Br)c1Br ZINC001229545676 1033551079 /nfs/dbraw/zinc/55/10/79/1033551079.db2.gz RNVXORIBKWITQV-SNVBAGLBSA-N 1 0 377.100 3.579 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001157527180 1033640503 /nfs/dbraw/zinc/64/05/03/1033640503.db2.gz BRKJZUXKFIPFED-QFIPXVFZSA-N 1 0 395.453 3.775 20 30 GHEDRO Cc1ccc2nc(N(c3cnccn3)C3CC[NH2+]CC3)c(C#N)c(Cl)c2c1 ZINC001157544228 1033648720 /nfs/dbraw/zinc/64/87/20/1033648720.db2.gz HLYMJFKFNYKHOO-UHFFFAOYSA-N 1 0 378.867 3.748 20 30 GHEDRO Cc1nc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c(C#N)cc1-c1ccc2nccn2c1 ZINC001229768171 1033699022 /nfs/dbraw/zinc/69/90/22/1033699022.db2.gz KMBKAJWWIBNWHZ-WGSAOQKQSA-N 1 0 375.476 3.828 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3c(Br)ccc(C)c3F)C2)C1=O ZINC001277443625 1033882925 /nfs/dbraw/zinc/88/29/25/1033882925.db2.gz REKBPISFUGIJPS-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO C=CCOc1cc(C)nc(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)n1 ZINC001158093650 1033912190 /nfs/dbraw/zinc/91/21/90/1033912190.db2.gz UGKLGGNIHZOLCG-UHFFFAOYSA-N 1 0 393.413 3.654 20 30 GHEDRO N#Cc1nc(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)ccc1Cl ZINC001158093459 1033912237 /nfs/dbraw/zinc/91/22/37/1033912237.db2.gz FJRMTCFDUQFQPS-UHFFFAOYSA-N 1 0 381.789 3.911 20 30 GHEDRO C#Cc1ccccc1C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158150717 1033937675 /nfs/dbraw/zinc/93/76/75/1033937675.db2.gz HUOKGLSREKDPOB-QFIPXVFZSA-N 1 0 388.511 3.612 20 30 GHEDRO N#Cc1nccnc1N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001158418096 1034072293 /nfs/dbraw/zinc/07/22/93/1034072293.db2.gz NNSUSLQMIMMJRX-UHFFFAOYSA-N 1 0 381.483 3.650 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001230488736 1034084439 /nfs/dbraw/zinc/08/44/39/1034084439.db2.gz BUSATMBJCIITMM-FCHUYYIVSA-N 1 0 395.934 3.973 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001230488738 1034084917 /nfs/dbraw/zinc/08/49/17/1034084917.db2.gz BUSATMBJCIITMM-VXKWHMMOSA-N 1 0 395.934 3.973 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001207374146 1034316110 /nfs/dbraw/zinc/31/61/10/1034316110.db2.gz FDVJKKVTVPEFAA-QUCCMNQESA-N 1 0 385.508 3.801 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@@H](Oc2n[nH]c3cccc(Br)c32)C1 ZINC001231094057 1034394277 /nfs/dbraw/zinc/39/42/77/1034394277.db2.gz UQTGPHCNLYAVGI-OAHLLOKOSA-N 1 0 397.276 3.850 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)c1 ZINC001277487647 1034404997 /nfs/dbraw/zinc/40/49/97/1034404997.db2.gz NJNUAZCXCMSNJA-UHFFFAOYSA-N 1 0 381.854 3.681 20 30 GHEDRO N#Cc1c(N=C2CCC(OC(=O)c3ccccc3)CC2)sc2c1CC[NH2+]C2 ZINC001159158236 1034458230 /nfs/dbraw/zinc/45/82/30/1034458230.db2.gz ZWOVXWNULFEPFM-MRXNPFEDSA-N 1 0 379.485 3.971 20 30 GHEDRO COc1ccc(Nc2sc3c(c2C(=O)OC(C)(C)C)CC[NH2+]C3)cc1C#N ZINC001159271791 1034515895 /nfs/dbraw/zinc/51/58/95/1034515895.db2.gz IDRAQCTZZNOESQ-UHFFFAOYSA-N 1 0 385.489 3.973 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C)(C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC001207809375 1034588185 /nfs/dbraw/zinc/58/81/85/1034588185.db2.gz VSWUVLQIDJAVEY-UHFFFAOYSA-N 1 0 398.551 3.717 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cnn(C)c1 ZINC001208120011 1034747872 /nfs/dbraw/zinc/74/78/72/1034747872.db2.gz KRRUWBGJHVOGCD-XCRVJHMQSA-N 1 0 388.600 3.654 20 30 GHEDRO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001159853222 1034764143 /nfs/dbraw/zinc/76/41/43/1034764143.db2.gz CIXSCOWXPXVXTO-UHFFFAOYSA-N 1 0 375.259 3.654 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)CC1 ZINC001208174949 1034774392 /nfs/dbraw/zinc/77/43/92/1034774392.db2.gz LFOBLYULLPSGKJ-NJYVYQBISA-N 1 0 386.561 3.542 20 30 GHEDRO COc1cc(C#N)ccc1CN1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001231618159 1034775416 /nfs/dbraw/zinc/77/54/16/1034775416.db2.gz BVRSMPLVCYZPOR-UHFFFAOYSA-N 1 0 396.560 3.962 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)c1 ZINC001231622971 1034783081 /nfs/dbraw/zinc/78/30/81/1034783081.db2.gz OIDFRXQAFOJWKY-JOCHJYFZSA-N 1 0 397.544 3.641 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC001208214393 1034804919 /nfs/dbraw/zinc/80/49/19/1034804919.db2.gz JZIDEXXPVPJGMO-MBSDFSHPSA-N 1 0 384.520 3.627 20 30 GHEDRO C#Cc1cccc(CN2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1 ZINC001231656103 1034813567 /nfs/dbraw/zinc/81/35/67/1034813567.db2.gz XTMOBONAIFXNED-JOCHJYFZSA-N 1 0 375.516 3.800 20 30 GHEDRO C#Cc1cccc(C[N@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)c1 ZINC001231657400 1034814370 /nfs/dbraw/zinc/81/43/70/1034814370.db2.gz PAQKCQDSFIHISB-JOCHJYFZSA-N 1 0 392.474 3.674 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001160012280 1034828313 /nfs/dbraw/zinc/82/83/13/1034828313.db2.gz RBJVVSJGJJTUKU-SJGMLKTKSA-N 1 0 389.912 3.802 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3c2CSC3)CC[NH+](Cc2ccccc2)CC1 ZINC001160100120 1034859615 /nfs/dbraw/zinc/85/96/15/1034859615.db2.gz RZXIHYSLPAXJDQ-UHFFFAOYSA-N 1 0 385.924 3.847 20 30 GHEDRO N#CC1(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001160101004 1034860339 /nfs/dbraw/zinc/86/03/39/1034860339.db2.gz ZRXAVTPBJDQMOX-UHFFFAOYSA-N 1 0 388.431 3.508 20 30 GHEDRO Cc1cnc(NCc2ccccc2N2CC[NH2+]CC2)c(C#C[Si](C)(C)C)c1 ZINC001160111857 1034865853 /nfs/dbraw/zinc/86/58/53/1034865853.db2.gz DYJRNZXNWPICLR-UHFFFAOYSA-N 1 0 378.596 3.641 20 30 GHEDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC001208408871 1034886518 /nfs/dbraw/zinc/88/65/18/1034886518.db2.gz MGPYRDOLHVGLRX-OAQYLSRUSA-N 1 0 392.503 3.989 20 30 GHEDRO N#Cc1cc(Nc2cc(Br)c(Cl)cc2N)cc(C2C[NH2+]C2)c1 ZINC001160250854 1034918010 /nfs/dbraw/zinc/91/80/10/1034918010.db2.gz OVURNBWZZXULPQ-UHFFFAOYSA-N 1 0 377.673 3.987 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231817723 1034927068 /nfs/dbraw/zinc/92/70/68/1034927068.db2.gz NERYNCLKAQRCKY-PMACEKPBSA-N 1 0 380.561 3.662 20 30 GHEDRO C#Cc1cccc(N(/C=C/C2CC[NH2+]CC2)c2ncnc3cc(OC)c(N)cc32)c1 ZINC001160279941 1034927101 /nfs/dbraw/zinc/92/71/01/1034927101.db2.gz RVRJGJPHNQAJPF-FMIVXFBMSA-N 1 0 399.498 3.853 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC001208579126 1034938713 /nfs/dbraw/zinc/93/87/13/1034938713.db2.gz IWBPMLTYVFPSQM-UHFFFAOYSA-N 1 0 376.566 3.692 20 30 GHEDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001160664728 1035028779 /nfs/dbraw/zinc/02/87/79/1035028779.db2.gz GWLMXAHBDQUYAB-MRXNPFEDSA-N 1 0 379.508 3.539 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(CN3CCC[C@H]3C#N)CC2)cc1 ZINC001208816385 1035037370 /nfs/dbraw/zinc/03/73/70/1035037370.db2.gz ZAYJRUNQNPCYRH-NRFANRHFSA-N 1 0 383.536 3.842 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160746994 1035053936 /nfs/dbraw/zinc/05/39/36/1035053936.db2.gz FTUMYANEUJGMOQ-STQMWFEESA-N 1 0 397.788 3.746 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c1 ZINC001208849375 1035057355 /nfs/dbraw/zinc/05/73/55/1035057355.db2.gz FJRCXGBKAADXQU-BJKOFHAPSA-N 1 0 391.515 3.726 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](CCCc3ccc(C#N)cc3)CC2)C1 ZINC001208856899 1035061811 /nfs/dbraw/zinc/06/18/11/1035061811.db2.gz SYTNRDMUFMTFRH-UHFFFAOYSA-N 1 0 399.535 3.593 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)cc1 ZINC001208858541 1035062641 /nfs/dbraw/zinc/06/26/41/1035062641.db2.gz HPZXRCCZCINXCW-RBZQAINGSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2)C(F)(F)F ZINC001208893341 1035078799 /nfs/dbraw/zinc/07/87/99/1035078799.db2.gz IOIUQTIBOVFBSA-APWZRJJASA-N 1 0 381.442 3.675 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CCc3c(COCc4ccccn4)cncc3C2)cc1 ZINC001208923752 1035090813 /nfs/dbraw/zinc/09/08/13/1035090813.db2.gz SVRWVPNKKWPFHY-UHFFFAOYSA-N 1 0 384.483 3.666 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@@H]2CF)CC1 ZINC001208925943 1035091490 /nfs/dbraw/zinc/09/14/90/1035091490.db2.gz ZJOQMNMGCFIQFU-RBUKOAKNSA-N 1 0 387.499 3.676 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001160920757 1035093810 /nfs/dbraw/zinc/09/38/10/1035093810.db2.gz RZFJRPBKMLKVTQ-PWRODBHTSA-N 1 0 386.536 3.788 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNc1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001160952835 1035104893 /nfs/dbraw/zinc/10/48/93/1035104893.db2.gz DSHQJIXYUPJMDB-KRWDZBQOSA-N 1 0 383.927 3.708 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1NC1CC[NH+](C(CC)CC)CC1 ZINC001161095017 1035139251 /nfs/dbraw/zinc/13/92/51/1035139251.db2.gz NKXUKDWWIHZLDH-UHFFFAOYSA-N 1 0 378.904 3.848 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(NC2CC[NH+](CC3CCOCC3)CC2)c1C#N ZINC001161212425 1035181426 /nfs/dbraw/zinc/18/14/26/1035181426.db2.gz OKNSLICCOAGVTC-UHFFFAOYSA-N 1 0 383.323 3.871 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001209120078 1035182306 /nfs/dbraw/zinc/18/23/06/1035182306.db2.gz HUYPSSPPERNPND-GOSISDBHSA-N 1 0 379.426 3.783 20 30 GHEDRO C#CCCC[NH+]1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc1O2 ZINC001209263721 1035226281 /nfs/dbraw/zinc/22/62/81/1035226281.db2.gz PPXKQACGJVKWGC-IBGZPJMESA-N 1 0 380.532 3.860 20 30 GHEDRO C#CCCC[NH+]1CCC2(CC1)C[C@@H](CC(=O)NC1CCC1)c1ccccc1O2 ZINC001209263724 1035226630 /nfs/dbraw/zinc/22/66/30/1035226630.db2.gz PPXKQACGJVKWGC-LJQANCHMSA-N 1 0 380.532 3.860 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001161472365 1035238454 /nfs/dbraw/zinc/23/84/54/1035238454.db2.gz KCNQGAQDXQYULB-CYBMUJFWSA-N 1 0 390.318 3.651 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)cc2)C1 ZINC001209329982 1035243141 /nfs/dbraw/zinc/24/31/41/1035243141.db2.gz MUHNXRYOBKLYQU-IIDMSEBBSA-N 1 0 396.457 3.808 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CC3C[C@H](C)O[C@@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001209380586 1035263390 /nfs/dbraw/zinc/26/33/90/1035263390.db2.gz MCBIHHVFNANKPG-ZFMISHDWSA-N 1 0 382.548 3.694 20 30 GHEDRO C=CCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001209435058 1035273723 /nfs/dbraw/zinc/27/37/23/1035273723.db2.gz DYIWPUUPAQNBBB-JOCHJYFZSA-N 1 0 393.572 3.715 20 30 GHEDRO C=CCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001209435059 1035274025 /nfs/dbraw/zinc/27/40/25/1035274025.db2.gz DYIWPUUPAQNBBB-QFIPXVFZSA-N 1 0 393.572 3.715 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc(Cl)s3)C[C@@H]2c2ccccc2)C1=O ZINC001209464637 1035281796 /nfs/dbraw/zinc/28/17/96/1035281796.db2.gz ZHJUCBZQBFJHQY-XLIONFOSSA-N 1 0 387.936 3.801 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cc(OC)ncc3Cl)CC2)C1=O ZINC001276654218 1035315892 /nfs/dbraw/zinc/31/58/92/1035315892.db2.gz BALGAAGZLKZSRZ-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO Cc1[nH]c2ncccc2c1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001209595412 1035322840 /nfs/dbraw/zinc/32/28/40/1035322840.db2.gz NAQVDDYGMSWIHY-UHFFFAOYSA-N 1 0 388.475 3.529 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1 ZINC001248154247 1035580025 /nfs/dbraw/zinc/58/00/25/1035580025.db2.gz DGLOIGUDKSETTQ-LJQANCHMSA-N 1 0 397.438 3.908 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)c1 ZINC001248156499 1035583243 /nfs/dbraw/zinc/58/32/43/1035583243.db2.gz XYWMHVLLZBNVRF-HXUWFJFHSA-N 1 0 387.487 3.711 20 30 GHEDRO COc1c(Cl)ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)c1F ZINC001248157217 1035584090 /nfs/dbraw/zinc/58/40/90/1035584090.db2.gz IQHZRGSRPUGJPI-CYBMUJFWSA-N 1 0 386.814 3.522 20 30 GHEDRO CCOC(=O)c1cc(C)nc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1C#N ZINC001241759003 1035678772 /nfs/dbraw/zinc/67/87/72/1035678772.db2.gz ZVHOYDVTUSUXIH-UHFFFAOYSA-N 1 0 393.487 3.970 20 30 GHEDRO COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)cc1O ZINC001462009570 1069943042 /nfs/dbraw/zinc/94/30/42/1069943042.db2.gz OGSIFKZGNDDKAY-UHFFFAOYSA-N 1 0 385.895 3.634 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@@H]3CCCN3C3CC[NH2+]CC3)n2)c(C#N)c1 ZINC001248252259 1035702265 /nfs/dbraw/zinc/70/22/65/1035702265.db2.gz KLVMPWCFUIPEEM-IBGZPJMESA-N 1 0 379.508 3.795 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(C[C@@H]([NH3+])c3ccc(Br)cc3)n2)c1 ZINC001248256833 1035707066 /nfs/dbraw/zinc/70/70/66/1035707066.db2.gz DTELZTGHNONZKH-OAHLLOKOSA-N 1 0 387.212 3.752 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001248750663 1036107980 /nfs/dbraw/zinc/10/79/80/1036107980.db2.gz RGBVGFDYVJWCRE-NZQKXSOJSA-N 1 0 395.478 3.857 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001248750498 1036108661 /nfs/dbraw/zinc/10/86/61/1036108661.db2.gz LNFZEWPVJFDJJW-UHFFFAOYSA-N 1 0 388.515 3.673 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001248752789 1036110490 /nfs/dbraw/zinc/11/04/90/1036110490.db2.gz BFALXVVWACOALA-UHFFFAOYSA-N 1 0 383.499 3.900 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1nc2c(cc1C#N)CCCC2(C)C ZINC001244158643 1036401978 /nfs/dbraw/zinc/40/19/78/1036401978.db2.gz MIGLVOUXIXVTHT-UHFFFAOYSA-N 1 0 390.531 3.995 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2nc(C#N)ccc2NC(=O)C(C)(C)C)cc1 ZINC001245336414 1036883692 /nfs/dbraw/zinc/88/36/92/1036883692.db2.gz UVXFHCBZQPRXSY-UHFFFAOYSA-N 1 0 380.492 3.935 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)cc1 ZINC001245970866 1037096282 /nfs/dbraw/zinc/09/62/82/1037096282.db2.gz BOOHBORUCWIILJ-JTHBVZDNSA-N 1 0 393.437 3.846 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN[C@@]1(C)CC[NH2+]C1 ZINC001245988523 1037111920 /nfs/dbraw/zinc/11/19/20/1037111920.db2.gz CZHXMSAIWALRAF-VXKWHMMOSA-N 1 0 386.621 3.643 20 30 GHEDRO C[NH2+]CC[C@H](C)NC(=[NH2+])c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001246296818 1037282876 /nfs/dbraw/zinc/28/28/76/1037282876.db2.gz UGXYKQPRBCTKTQ-LBPRGKRZSA-N 1 0 387.530 3.885 20 30 GHEDRO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246302625 1037284913 /nfs/dbraw/zinc/28/49/13/1037284913.db2.gz DPWNJZULUBZKGQ-UGSOOPFHSA-N 1 0 388.886 3.756 20 30 GHEDRO CCCCCCCCC[N@@H+]1CCC[C@]2(CCCN(S(=O)(=O)N(C)C)C2)C1 ZINC001278442491 1037288232 /nfs/dbraw/zinc/28/82/32/1037288232.db2.gz UVZJHDJMKVSRKE-FQEVSTJZSA-N 1 0 387.634 3.721 20 30 GHEDRO Cc1cc(-c2noc([C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)n2)ccc1C#N ZINC001247846191 1038422445 /nfs/dbraw/zinc/42/24/45/1038422445.db2.gz BJNDKTUKXGJBAY-LJQANCHMSA-N 1 0 386.455 3.953 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@@H]4C[NH2+][C@@H]5CCO[C@@H]5C4)n3)cc2)cc1 ZINC001247941907 1038510526 /nfs/dbraw/zinc/51/05/26/1038510526.db2.gz RPTKHKHGEIQPKB-PWIZWCRZSA-N 1 0 388.427 3.635 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)n1 ZINC001232924169 1038712511 /nfs/dbraw/zinc/71/25/11/1038712511.db2.gz SGCWXNCOYDLXOY-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO Cc1ncc(F)cc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001232989922 1038753146 /nfs/dbraw/zinc/75/31/46/1038753146.db2.gz ZIEWBQXRUXVEBN-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001252125142 1038872221 /nfs/dbraw/zinc/87/22/21/1038872221.db2.gz AXABVFPXFVLCDZ-XZOQPEGZSA-N 1 0 389.584 3.864 20 30 GHEDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(F)c1C#N ZINC001233099805 1038876990 /nfs/dbraw/zinc/87/69/90/1038876990.db2.gz VIFWBWAENQCRRU-MRXNPFEDSA-N 1 0 390.503 3.595 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001252127989 1038880596 /nfs/dbraw/zinc/88/05/96/1038880596.db2.gz HVLUEMXAORNMJR-PUHATCMVSA-N 1 0 390.568 3.658 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001252128183 1038881121 /nfs/dbraw/zinc/88/11/21/1038881121.db2.gz JWWMQSIUHHFPOI-PZJWPPBQSA-N 1 0 394.600 3.638 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCCN2Cc2ccn(C)n2)CC1 ZINC001252129308 1038881981 /nfs/dbraw/zinc/88/19/81/1038881981.db2.gz ZFWJIYCCQXQCMV-JOCHJYFZSA-N 1 0 390.616 3.962 20 30 GHEDRO CN(C)c1ccc(CN(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c(F)c1C#N ZINC001233103233 1038887159 /nfs/dbraw/zinc/88/71/59/1038887159.db2.gz BOATXUIAKAEKOZ-UHFFFAOYSA-N 1 0 398.501 3.999 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001252136333 1038887313 /nfs/dbraw/zinc/88/73/13/1038887313.db2.gz OAYKSXXVLCQTCJ-RTBURBONSA-N 1 0 398.588 3.714 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCS(=O)(=O)CC1 ZINC001252139214 1038890356 /nfs/dbraw/zinc/89/03/56/1038890356.db2.gz LCZLYFBFSABWGK-OAQYLSRUSA-N 1 0 395.609 3.878 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)cc(C)c1O)C2 ZINC001233111087 1038902071 /nfs/dbraw/zinc/90/20/71/1038902071.db2.gz ZMKNSTZZOMFQCU-IEBWSBKVSA-N 1 0 396.325 3.789 20 30 GHEDRO CCCC[N@H+](CCC)C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252322403 1038941618 /nfs/dbraw/zinc/94/16/18/1038941618.db2.gz ZCCZYNBRUUVFQZ-GOSISDBHSA-N 1 0 385.430 3.779 20 30 GHEDRO CCCCCCC[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339652 1038946736 /nfs/dbraw/zinc/94/67/36/1038946736.db2.gz IRRBAFUQZCYALR-SFHVURJKSA-N 1 0 385.430 3.827 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC(CC)([NH+]2CCC2)CC1)c1ccc(Cl)cc1F ZINC001252479033 1039000578 /nfs/dbraw/zinc/00/05/78/1039000578.db2.gz HPDHJYDZVOZSQR-SFHVURJKSA-N 1 0 377.891 3.813 20 30 GHEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC001252494176 1039004947 /nfs/dbraw/zinc/00/49/47/1039004947.db2.gz WYDJHBZURVCLPQ-OALUTQOASA-N 1 0 376.294 3.692 20 30 GHEDRO C=C[C@H](C)ONC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001252550536 1039029415 /nfs/dbraw/zinc/02/94/15/1039029415.db2.gz SBUJBBPJAGKMPW-AVCGJXAMSA-N 1 0 379.504 3.850 20 30 GHEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001252595358 1039041736 /nfs/dbraw/zinc/04/17/36/1039041736.db2.gz GUCVVTMPYSERHX-WOJBJXKFSA-N 1 0 386.536 3.650 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC001233288199 1039067705 /nfs/dbraw/zinc/06/77/05/1039067705.db2.gz BLHVOPGHAPCMHW-HXUWFJFHSA-N 1 0 378.900 3.587 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc3cccc(Cl)n13)C2 ZINC001233356997 1039177721 /nfs/dbraw/zinc/17/77/21/1039177721.db2.gz GOCSIISLFDLHOY-YLJYHZDGSA-N 1 0 375.900 3.561 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001233384958 1039212112 /nfs/dbraw/zinc/21/21/12/1039212112.db2.gz OUPRBWARNCBKID-JOCHJYFZSA-N 1 0 391.515 3.519 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cn3ccc(Cl)cc3n1)C2 ZINC001233390251 1039219247 /nfs/dbraw/zinc/21/92/47/1039219247.db2.gz OUQJVTYIYVTEJP-UYAOXDASSA-N 1 0 375.900 3.561 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001252984203 1039311826 /nfs/dbraw/zinc/31/18/26/1039311826.db2.gz DTHHEWCIHYNYPO-FGZHOGPDSA-N 1 0 382.589 3.591 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@@H](CC)CCCC)C2 ZINC001252997645 1039327372 /nfs/dbraw/zinc/32/73/72/1039327372.db2.gz HKSULDUKCHAUNH-WBADGQHESA-N 1 0 397.600 3.654 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@H](O)COC[C@H](CC)CCCC)C2 ZINC001252997641 1039328040 /nfs/dbraw/zinc/32/80/40/1039328040.db2.gz HKSULDUKCHAUNH-KAOXLYBCSA-N 1 0 397.600 3.654 20 30 GHEDRO CC[C@@H](CC#N)NC[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253226460 1039483318 /nfs/dbraw/zinc/48/33/18/1039483318.db2.gz PQNKWXOXLCENRF-PXNSSMCTSA-N 1 0 391.471 3.835 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001253237920 1039494843 /nfs/dbraw/zinc/49/48/43/1039494843.db2.gz OQMKVKFSGWWKBG-JMJGKCIBSA-N 1 0 388.552 3.970 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001253238163 1039495089 /nfs/dbraw/zinc/49/50/89/1039495089.db2.gz AODMDNFAESIJNN-LADGPHEKSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253248687 1039502955 /nfs/dbraw/zinc/50/29/55/1039502955.db2.gz ZQPSNGOIKFGNPC-WTGUMLROSA-N 1 0 380.573 3.967 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253249000 1039503382 /nfs/dbraw/zinc/50/33/82/1039503382.db2.gz FVFQRASEACNBBG-LJQANCHMSA-N 1 0 398.588 3.616 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CCOCCOCCOCc1ccccc1 ZINC001253256557 1039505756 /nfs/dbraw/zinc/50/57/56/1039505756.db2.gz BKBQEHDJUMJQAN-QHCPKHFHSA-N 1 0 393.568 3.714 20 30 GHEDRO N#Cc1nc2cc(OC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2s1 ZINC001233703651 1039551958 /nfs/dbraw/zinc/55/19/58/1039551958.db2.gz HFKLDIGZAJNZQV-GOSISDBHSA-N 1 0 379.485 3.838 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001253395940 1039599604 /nfs/dbraw/zinc/59/96/04/1039599604.db2.gz UAZTWXUEPRCUFU-ZLNRFVROSA-N 1 0 388.515 3.742 20 30 GHEDRO CC#C[C@@H](CC(=O)OCC)c1ccc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc1 ZINC001233791092 1039621843 /nfs/dbraw/zinc/62/18/43/1039621843.db2.gz KMOLRQXSFXPPHN-UNMCSNQZSA-N 1 0 399.531 3.769 20 30 GHEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCN(CC(F)F)C2=O)CC1 ZINC001277817354 1039693875 /nfs/dbraw/zinc/69/38/75/1039693875.db2.gz LEBRDTVIVOLHKA-LJQANCHMSA-N 1 0 381.854 3.681 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001253614044 1039723159 /nfs/dbraw/zinc/72/31/59/1039723159.db2.gz HNBDONNIPLJPLY-VXKWHMMOSA-N 1 0 387.605 3.928 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1O ZINC001253614634 1039725369 /nfs/dbraw/zinc/72/53/69/1039725369.db2.gz RZQNZCHNWKQGLU-BDTNDASRSA-N 1 0 387.605 3.804 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CC(C2COC2)C1 ZINC001253616287 1039726460 /nfs/dbraw/zinc/72/64/60/1039726460.db2.gz RJDQRKPGUTXXRK-HSZRJFAPSA-N 1 0 399.616 3.880 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC[C@H](C)O ZINC001253616778 1039729044 /nfs/dbraw/zinc/72/90/44/1039729044.db2.gz IFUYISMIGCRRIK-SFTDATJTSA-N 1 0 375.594 3.662 20 30 GHEDRO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277831548 1039840376 /nfs/dbraw/zinc/84/03/76/1039840376.db2.gz YUAKHQXWIPRQPU-HZPDHXFCSA-N 1 0 382.291 3.568 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@@H]4C[C@]5(CO4)CCCC[NH2+]5)nn3)cc2)cc1 ZINC001254066782 1039981608 /nfs/dbraw/zinc/98/16/08/1039981608.db2.gz FDINSXXMYHUSND-ZCYQVOJMSA-N 1 0 398.510 3.895 20 30 GHEDRO CS(=O)(=O)c1ccccc1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254348851 1040182220 /nfs/dbraw/zinc/18/22/20/1040182220.db2.gz AZKQVWBOTZPMDV-UHFFFAOYSA-N 1 0 386.492 3.723 20 30 GHEDRO Cc1cc(N2CC[NH+](C3CCC(C#N)(c4ccc(F)cc4)CC3)CC2)nc(C)n1 ZINC001254356249 1040189743 /nfs/dbraw/zinc/18/97/43/1040189743.db2.gz NHBYAZPLDHQWDE-UHFFFAOYSA-N 1 0 393.510 3.759 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@@H](Oc3cnccn3)C2)CC1 ZINC001254359749 1040192180 /nfs/dbraw/zinc/19/21/80/1040192180.db2.gz PESDRYYXOFVFDQ-SNCIUUNGSA-N 1 0 380.467 3.863 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1OC(C)C)C2 ZINC001234713890 1040245315 /nfs/dbraw/zinc/24/53/15/1040245315.db2.gz AZVRGWRMBRDASJ-RBBKRZOGSA-N 1 0 375.509 3.809 20 30 GHEDRO C[C@@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC001254496791 1040285023 /nfs/dbraw/zinc/28/50/23/1040285023.db2.gz LBBSRJPJHDCGSJ-GOSISDBHSA-N 1 0 376.504 3.582 20 30 GHEDRO C=C[C@@H](C)Oc1c2c(c(OC)cc1CC[NH+](C)C)C(=O)c1ccc(OC)c(O)c1-2 ZINC001234807676 1040339325 /nfs/dbraw/zinc/33/93/25/1040339325.db2.gz MURAQRPFYGXDDH-CYBMUJFWSA-N 1 0 397.471 3.678 20 30 GHEDRO COc1ccc2c(c1O[C@H](C)C(C)C)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC001234818108 1040347003 /nfs/dbraw/zinc/34/70/03/1040347003.db2.gz SWEBCRDOWGCWLV-RBBFAFJASA-N 1 0 399.531 3.736 20 30 GHEDRO CN(C)C(=O)CO[C@@H]1CCC2(CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c2ccccc21 ZINC001254657655 1040423486 /nfs/dbraw/zinc/42/34/86/1040423486.db2.gz DUTOBYAZHMMIDA-NNMXDRDESA-N 1 0 395.547 3.652 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H](C#N)C2)C1 ZINC001254678221 1040434737 /nfs/dbraw/zinc/43/47/37/1040434737.db2.gz ZQWSBVRPLVXMJF-IHPCNDPISA-N 1 0 384.524 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH+]3CCC(CC#N)CC3)CC2)C1 ZINC001254726122 1040482979 /nfs/dbraw/zinc/48/29/79/1040482979.db2.gz NZQSHDOULPOESK-UHFFFAOYSA-N 1 0 377.529 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](NC(=[NH2+])c1ccc3ccccc3n1)C2 ZINC001254760932 1040521488 /nfs/dbraw/zinc/52/14/88/1040521488.db2.gz ANIRIVBYANOEAB-INIZCTEOSA-N 1 0 380.492 3.730 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]CCCOc3ccccc3C#N)C[C@@H]2C1 ZINC001254892443 1040646203 /nfs/dbraw/zinc/64/62/03/1040646203.db2.gz FGYKOMYMTKMZSU-BWTSREIZSA-N 1 0 385.508 3.562 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(F)c1C#N ZINC001235378295 1040891624 /nfs/dbraw/zinc/89/16/24/1040891624.db2.gz CMFHWRWPYROJJH-HYBUGGRVSA-N 1 0 392.522 3.517 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001255213701 1040909362 /nfs/dbraw/zinc/90/93/62/1040909362.db2.gz HUSUHMRALZDFPK-RCLSDMTESA-N 1 0 383.492 3.553 20 30 GHEDRO C[C@H](CN1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1=O)CC(F)(F)F ZINC001277943984 1040924203 /nfs/dbraw/zinc/92/42/03/1040924203.db2.gz FPHZPFRHCJWVDY-SUMWQHHRSA-N 1 0 385.455 3.633 20 30 GHEDRO CCOC(=O)C1CCC([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001255254252 1040928317 /nfs/dbraw/zinc/92/83/17/1040928317.db2.gz MTOQWUOSYOLRGT-SBGRQLAYSA-N 1 0 395.503 3.816 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001235515982 1040971927 /nfs/dbraw/zinc/97/19/27/1040971927.db2.gz XPVASCUNAQZICN-LADGPHEKSA-N 1 0 391.515 3.736 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001235528721 1040976510 /nfs/dbraw/zinc/97/65/10/1040976510.db2.gz SSCPTYXFDLBFDB-UHFFFAOYSA-N 1 0 375.394 3.973 20 30 GHEDRO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1ccccc1-c1ccncc1 ZINC001235614804 1041031252 /nfs/dbraw/zinc/03/12/52/1041031252.db2.gz HDDIIJWIDVZVGF-QFIPXVFZSA-N 1 0 389.503 3.662 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3ccc(F)c(F)c3Cl)CC2)C1=O ZINC001277958714 1041082681 /nfs/dbraw/zinc/08/26/81/1041082681.db2.gz PZZCEFFFBZWHFC-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO N#Cc1cc(F)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c(F)c1 ZINC001235657556 1041107068 /nfs/dbraw/zinc/10/70/68/1041107068.db2.gz RCYCDMMBPFKMRY-HSZRJFAPSA-N 1 0 393.437 3.737 20 30 GHEDRO C[C@@H](CC(F)(F)F)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255652094 1041191742 /nfs/dbraw/zinc/19/17/42/1041191742.db2.gz FKHNZHRVIISYOD-LPHOPBHVSA-N 1 0 381.442 3.818 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235758378 1041247359 /nfs/dbraw/zinc/24/73/59/1041247359.db2.gz FIQBDGUMNFBAJV-GOSISDBHSA-N 1 0 376.342 3.838 20 30 GHEDRO N#Cc1ccc2[nH]cc(CN3CC[NH2+][C@H](c4cccc(Br)c4)C3)c2c1 ZINC001235792906 1041287801 /nfs/dbraw/zinc/28/78/01/1041287801.db2.gz NVBWGVKLUDRJQP-FQEVSTJZSA-N 1 0 395.304 3.949 20 30 GHEDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(Br)c(C#N)c3)C2)C1=O ZINC001277974942 1041402008 /nfs/dbraw/zinc/40/20/08/1041402008.db2.gz QDYXINMTTJIXDY-IFXJQAMLSA-N 1 0 390.325 3.544 20 30 GHEDRO C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001235968560 1041473243 /nfs/dbraw/zinc/47/32/43/1041473243.db2.gz IRJSSSWUYNNORM-CXAGYDPISA-N 1 0 383.870 3.546 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+]([C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC001256228090 1041663517 /nfs/dbraw/zinc/66/35/17/1041663517.db2.gz DIVYNNLPWCTIFP-AWEZNQCLSA-N 1 0 379.298 3.549 20 30 GHEDRO C=CCc1cccc(CN(Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c1O ZINC001236465923 1041728198 /nfs/dbraw/zinc/72/81/98/1041728198.db2.gz VRXFOCDDMPLCKJ-UHFFFAOYSA-N 1 0 394.515 3.662 20 30 GHEDRO CSc1nc(CN(Cc2ccc(C)cc2F)C2CC[NH2+]CC2)ccc1C#N ZINC001236490161 1041737749 /nfs/dbraw/zinc/73/77/49/1041737749.db2.gz IQAVDLFKWOFEDO-UHFFFAOYSA-N 1 0 384.524 3.877 20 30 GHEDRO COc1ccc(CN(Cc2cc3ccc(C#N)cc3[nH]2)C2CC[NH2+]CC2)cc1F ZINC001236515996 1041749666 /nfs/dbraw/zinc/74/96/66/1041749666.db2.gz FIAPMUIOCDBIRL-UHFFFAOYSA-N 1 0 392.478 3.941 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cc2ccccc2cc1OC ZINC001236679422 1041824941 /nfs/dbraw/zinc/82/49/41/1041824941.db2.gz SXTDPYQEBGRRMK-OAQYLSRUSA-N 1 0 377.488 3.884 20 30 GHEDRO COCC[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(C#N)c(Br)c1)C2 ZINC001236856275 1041930380 /nfs/dbraw/zinc/93/03/80/1041930380.db2.gz IWSVRPRDGIPSCP-APWZRJJASA-N 1 0 393.325 3.728 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3Cl)C2)C1=O ZINC001278020883 1041935941 /nfs/dbraw/zinc/93/59/41/1041935941.db2.gz NCPJVMCXGONRGZ-QGZVFWFLSA-N 1 0 388.817 3.849 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)c(Cl)c1)C2 ZINC001236905874 1041949338 /nfs/dbraw/zinc/94/93/38/1041949338.db2.gz QUTRPVYIVVJNNY-WIYYLYMNSA-N 1 0 387.911 3.852 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)cc(Cl)cc3OC)CC2)C1=O ZINC001278031548 1041966833 /nfs/dbraw/zinc/96/68/33/1041966833.db2.gz XWDXMWDSNNIBTA-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3[nH]c(C(=O)OC)cc3c1)C2 ZINC001237309919 1042138911 /nfs/dbraw/zinc/13/89/11/1042138911.db2.gz JPEQUCIYNSXIJG-JTHBVZDNSA-N 1 0 398.503 3.528 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237448657 1042211611 /nfs/dbraw/zinc/21/16/11/1042211611.db2.gz HOVRXKRRWOSVNG-FQEVSTJZSA-N 1 0 388.899 3.827 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)C2 ZINC001237468224 1042220986 /nfs/dbraw/zinc/22/09/86/1042220986.db2.gz XXFLTBRGTCANMM-PKTZIBPZSA-N 1 0 379.504 3.624 20 30 GHEDRO C[C@@H]1CCN(Cc2cc(C#N)c(F)cc2F)C[C@H]1CNC(=O)OC(C)(C)C ZINC001237524248 1042250061 /nfs/dbraw/zinc/25/00/61/1042250061.db2.gz GYXJLQLKXCFELA-CZUORRHYSA-N 1 0 379.451 3.819 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc(C#N)c(F)cc3F)C2)C1=O ZINC001237525335 1042250445 /nfs/dbraw/zinc/25/04/45/1042250445.db2.gz DKVFHTRBCCOCPR-HSZRJFAPSA-N 1 0 395.453 3.983 20 30 GHEDRO C[N@@H+](Cc1cc(C#N)c(F)cc1F)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001237528943 1042252835 /nfs/dbraw/zinc/25/28/35/1042252835.db2.gz FDDUWRLRBBTOJW-AWEZNQCLSA-N 1 0 379.451 3.915 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2cc(Cl)cc(C#N)c2)CCC[C@]12CCC(=O)N2CCOC ZINC001237750376 1042352916 /nfs/dbraw/zinc/35/29/16/1042352916.db2.gz JNTTWMYAKNBLPP-FPOVZHCZSA-N 1 0 389.927 3.594 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]2C1 ZINC001237751713 1042353652 /nfs/dbraw/zinc/35/36/52/1042353652.db2.gz PCWXJDXUZQEMLY-SJORKVTESA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 ZINC001237752931 1042354435 /nfs/dbraw/zinc/35/44/35/1042354435.db2.gz AYGZSLYJHLYPLO-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO COCC[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237753084 1042354508 /nfs/dbraw/zinc/35/45/08/1042354508.db2.gz FFMKCJIZBJVHQK-SFHVURJKSA-N 1 0 393.915 3.669 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)Nc1c(O)cccc1N1CC[NH2+]CC1 ZINC001237824819 1042387333 /nfs/dbraw/zinc/38/73/33/1042387333.db2.gz DDEGGOUYODANQZ-UHFFFAOYSA-N 1 0 397.585 3.684 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3c[nH]c4ncc(Br)nc34)CC2)cc1 ZINC001237857694 1042397792 /nfs/dbraw/zinc/39/77/92/1042397792.db2.gz KYOLORULDOGPFV-UHFFFAOYSA-N 1 0 396.292 3.972 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)CCC2 ZINC001237877296 1042405384 /nfs/dbraw/zinc/40/53/84/1042405384.db2.gz LHWNRSLTYHKXEK-UHFFFAOYSA-N 1 0 392.547 3.993 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(N4CCCCC4)n3)C2)C1 ZINC001238001385 1042453330 /nfs/dbraw/zinc/45/33/30/1042453330.db2.gz UVBDJPODIXHPNE-HSZRJFAPSA-N 1 0 398.551 3.682 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccccc1Oc1cnccn1)CC2 ZINC001238015218 1042460555 /nfs/dbraw/zinc/46/05/55/1042460555.db2.gz WEGFAQBFUSGKAY-QHCPKHFHSA-N 1 0 392.503 3.802 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046408 1042472048 /nfs/dbraw/zinc/47/20/48/1042472048.db2.gz RASPGXSSOVUDND-UWJYYQICSA-N 1 0 393.911 3.843 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c(Cl)c1 ZINC001238083575 1042486196 /nfs/dbraw/zinc/48/61/96/1042486196.db2.gz UTWKHEAUCMPHAX-HXUWFJFHSA-N 1 0 397.906 3.947 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]2C1 ZINC001238188908 1042513806 /nfs/dbraw/zinc/51/38/06/1042513806.db2.gz KLEVYRDUNRYPRA-NVXWUHKLSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)ccc1Cl ZINC001238189923 1042514517 /nfs/dbraw/zinc/51/45/17/1042514517.db2.gz AFZICQUMJQLXRC-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cccc(-c5cc[nH]n5)c4)C3)CC2=O)c1 ZINC001238212060 1042521505 /nfs/dbraw/zinc/52/15/05/1042521505.db2.gz ZIFWGKKBWXFPRP-DEOSSOPVSA-N 1 0 397.482 3.577 20 30 GHEDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)c(OC)c2)C[C@H]1c1ccccc1 ZINC001238413265 1042588134 /nfs/dbraw/zinc/58/81/34/1042588134.db2.gz NYPCTBGSZGFGMT-SFTDATJTSA-N 1 0 378.472 3.736 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC001238611534 1042659027 /nfs/dbraw/zinc/65/90/27/1042659027.db2.gz XGPILNANDYGMCE-FQEVSTJZSA-N 1 0 381.476 3.634 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)cc(N3CCCC3)c1)C2 ZINC001238703084 1042692193 /nfs/dbraw/zinc/69/21/93/1042692193.db2.gz XZOQEDWZYDXYED-PKTZIBPZSA-N 1 0 388.527 4.000 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)ccc1C#N ZINC001238760670 1042717797 /nfs/dbraw/zinc/71/77/97/1042717797.db2.gz NMTGCMIOXOOGDU-UPVQGACJSA-N 1 0 391.515 3.966 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)ccc1C#N ZINC001238761555 1042718330 /nfs/dbraw/zinc/71/83/30/1042718330.db2.gz DQRFDQDKPDHBKW-QFIPXVFZSA-N 1 0 394.544 3.510 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)ccc1C#N ZINC001238763648 1042719726 /nfs/dbraw/zinc/71/97/26/1042719726.db2.gz UZOBSNIJGUWSJH-HSZRJFAPSA-N 1 0 377.463 3.889 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N(Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC001239143551 1042772205 /nfs/dbraw/zinc/77/22/05/1042772205.db2.gz HEECVKDEQWXKNM-FQEVSTJZSA-N 1 0 381.586 3.716 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1 ZINC001239278856 1042800980 /nfs/dbraw/zinc/80/09/80/1042800980.db2.gz IJWLKLQFYNICPF-LPHOPBHVSA-N 1 0 381.442 3.748 20 30 GHEDRO CCCCCCCCCNC(=S)Nc1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC001239347410 1042811528 /nfs/dbraw/zinc/81/15/28/1042811528.db2.gz LFRALPGFUCUFEV-UHFFFAOYSA-N 1 0 390.597 3.769 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1C(F)(F)F ZINC001239367252 1042814143 /nfs/dbraw/zinc/81/41/43/1042814143.db2.gz MHZVTKICCSKICS-SJORKVTESA-N 1 0 390.434 3.967 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239373129 1042815449 /nfs/dbraw/zinc/81/54/49/1042815449.db2.gz LVBZCVNQNDLPOI-WMLDXEAASA-N 1 0 382.455 3.786 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCC1(c2ccccc2Cl)CC[NH2+]CC1 ZINC001239396530 1042822311 /nfs/dbraw/zinc/82/23/11/1042822311.db2.gz XALCUIWNWIALRZ-UHFFFAOYSA-N 1 0 384.936 3.819 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001239435764 1042829381 /nfs/dbraw/zinc/82/93/81/1042829381.db2.gz ZQNNWNXSZWOYGG-KNQAVFIVSA-N 1 0 376.529 3.508 20 30 GHEDRO C=CCc1ccnc(-c2cccc(CN3CC[NH+](C)CC3)c2)c1C(OC)OC ZINC001240287703 1042918748 /nfs/dbraw/zinc/91/87/48/1042918748.db2.gz SFFRYJQLKLGVGZ-UHFFFAOYSA-N 1 0 381.520 3.516 20 30 GHEDRO CCOC(=O)c1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ccc1OC(F)(F)F ZINC001240355246 1042922680 /nfs/dbraw/zinc/92/26/80/1042922680.db2.gz CHIRUGJILXKYNZ-UHFFFAOYSA-N 1 0 390.361 3.987 20 30 GHEDRO COC(=O)c1ccc(OC(F)(F)F)cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240361228 1042923083 /nfs/dbraw/zinc/92/30/83/1042923083.db2.gz MBLOWADBVVHZDZ-UHFFFAOYSA-N 1 0 376.334 3.597 20 30 GHEDRO CCOC(=O)c1ccc(C#N)c(-c2ccc(C3([NH+]4CCN(C)CC4)CC3)cc2)c1 ZINC001240589493 1042944455 /nfs/dbraw/zinc/94/44/55/1042944455.db2.gz SZMUFUDEAHKIHH-UHFFFAOYSA-N 1 0 389.499 3.638 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1-c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001240812387 1042955185 /nfs/dbraw/zinc/95/51/85/1042955185.db2.gz SYCDGGWKGNXMGE-UHFFFAOYSA-N 1 0 398.441 4.000 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001291090824 1043072844 /nfs/dbraw/zinc/07/28/44/1043072844.db2.gz CSGWVTHTUOCXBI-MSOLQXFVSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001291113401 1043085473 /nfs/dbraw/zinc/08/54/73/1043085473.db2.gz DJOSUMWURBGUIR-LJQANCHMSA-N 1 0 392.551 3.929 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC[NH+]1CCCC1 ZINC001291443483 1043259970 /nfs/dbraw/zinc/25/99/70/1043259970.db2.gz ABDPMLOMLHSUNM-GOSISDBHSA-N 1 0 380.540 3.786 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCN(Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552003 1043515639 /nfs/dbraw/zinc/51/56/39/1043515639.db2.gz WTKIGOBMLMFCGC-KELGSRBJSA-N 1 0 384.564 3.866 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256595244 1043561698 /nfs/dbraw/zinc/56/16/98/1043561698.db2.gz ISMGTLMEICTFOH-UHFFFAOYSA-N 1 0 378.495 3.742 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC001292470295 1043751082 /nfs/dbraw/zinc/75/10/82/1043751082.db2.gz HNTOGAUQADQEJX-ZHACJKMWSA-N 1 0 386.442 3.603 20 30 GHEDRO N#CC1CCC([N@@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)CC1 ZINC001256968383 1043777093 /nfs/dbraw/zinc/77/70/93/1043777093.db2.gz SNKAEAPAQAOOKQ-RRWXTXHCSA-N 1 0 385.483 3.575 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1CO ZINC001257011685 1043798245 /nfs/dbraw/zinc/79/82/45/1043798245.db2.gz YKUCYRFLELADTP-VFUGHAIPSA-N 1 0 399.535 3.544 20 30 GHEDRO CS(=O)(=O)c1cccc(CC[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001257014118 1043799315 /nfs/dbraw/zinc/79/93/15/1043799315.db2.gz NENMHIYLTAHUHI-UHFFFAOYSA-N 1 0 382.529 3.820 20 30 GHEDRO COc1ccnc(N(C2CC[NH2+]CC2)C2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001257022902 1043807155 /nfs/dbraw/zinc/80/71/55/1043807155.db2.gz ROFYFSLQGVXWGH-UHFFFAOYSA-N 1 0 391.519 3.642 20 30 GHEDRO COc1ccnc(O[C@H]2CC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)n1 ZINC001257022565 1043807502 /nfs/dbraw/zinc/80/75/02/1043807502.db2.gz NORKKPRAOWQCDE-MHJFOBGBSA-N 1 0 378.476 3.536 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H](C)CCC(=O)OCCCC)C2)CC1 ZINC001257393167 1043981373 /nfs/dbraw/zinc/98/13/73/1043981373.db2.gz LPHJWCNRXRYXMM-IBGZPJMESA-N 1 0 394.556 3.999 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@@H]3CCCSC3)c3ccccc32)cc1 ZINC001257669104 1044110440 /nfs/dbraw/zinc/11/04/40/1044110440.db2.gz YNRGRRYRYSPDDV-MRXNPFEDSA-N 1 0 380.517 3.694 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NCc4ccco4)C3)C[C@H](C1)C2 ZINC001257893582 1044249562 /nfs/dbraw/zinc/24/95/62/1044249562.db2.gz SSZUZODTGNHACG-NTRJEXOKSA-N 1 0 398.547 3.758 20 30 GHEDRO CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001293683226 1044293430 /nfs/dbraw/zinc/29/34/30/1044293430.db2.gz MLJMAVSSMYBWPG-YOXWTLATSA-N 1 0 390.535 3.848 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001258044637 1044368078 /nfs/dbraw/zinc/36/80/78/1044368078.db2.gz SAURQZPTUJVDSM-IIZPIQPGSA-N 1 0 380.573 3.606 20 30 GHEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001258228657 1044478554 /nfs/dbraw/zinc/47/85/54/1044478554.db2.gz JFLWCQXUVBJXCM-WOJBJXKFSA-N 1 0 382.589 3.902 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCC1 ZINC001294217114 1044529691 /nfs/dbraw/zinc/52/96/91/1044529691.db2.gz AXUFNHKYDFGLBD-UHFFFAOYSA-N 1 0 380.540 3.785 20 30 GHEDRO C=CCC[C@H](C)[NH+]1CCC(c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1 ZINC001258730919 1044735194 /nfs/dbraw/zinc/73/51/94/1044735194.db2.gz QMGVPWGMFFSKHM-HNNXBMFYSA-N 1 0 389.521 3.674 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CC2)CC1 ZINC001294648814 1044745520 /nfs/dbraw/zinc/74/55/20/1044745520.db2.gz VFOXWRCNMRSMCH-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCOc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC001295076914 1044906448 /nfs/dbraw/zinc/90/64/48/1044906448.db2.gz FMWALHPJUBWZEC-RBUKOAKNSA-N 1 0 394.515 3.995 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 ZINC001295369824 1044990985 /nfs/dbraw/zinc/99/09/85/1044990985.db2.gz KOQVKZZRDAYPPR-VGOFRKELSA-N 1 0 398.530 3.945 20 30 GHEDRO CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001295794398 1045141485 /nfs/dbraw/zinc/14/14/85/1045141485.db2.gz FANOTTHLFGJWBR-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO C=CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001296420395 1045311774 /nfs/dbraw/zinc/31/17/74/1045311774.db2.gz JJLXZPJBPKPQSH-QFIPXVFZSA-N 1 0 394.515 3.551 20 30 GHEDRO CCCc1c(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC001296631682 1045347767 /nfs/dbraw/zinc/34/77/67/1045347767.db2.gz HUSRIEZFLZLRBZ-SFHVURJKSA-N 1 0 379.508 3.755 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC(C#N)CC1)c1ccco1 ZINC001298028230 1045679367 /nfs/dbraw/zinc/67/93/67/1045679367.db2.gz NOFRMPQNNKLDMO-GOSISDBHSA-N 1 0 382.512 3.572 20 30 GHEDRO CN(CC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCC1 ZINC001298522634 1045852718 /nfs/dbraw/zinc/85/27/18/1045852718.db2.gz QHZLEFUBBQHNBW-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO C#CCN(C(=O)c1cccc(OCc2cccc(C)c2)c1)C1CC[NH+](C)CC1 ZINC001462998267 1070718426 /nfs/dbraw/zinc/71/84/26/1070718426.db2.gz NVEMUXYDYGYHAM-UHFFFAOYSA-N 1 0 376.500 3.744 20 30 GHEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001299753782 1046021113 /nfs/dbraw/zinc/02/11/13/1046021113.db2.gz HOUIIQPQZSXSJI-JLSDUUJJSA-N 1 0 379.426 3.963 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001262504271 1046265377 /nfs/dbraw/zinc/26/53/77/1046265377.db2.gz LPQZFQYHTSRWFI-MHORFTMASA-N 1 0 375.586 3.589 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301097163 1046339899 /nfs/dbraw/zinc/33/98/99/1046339899.db2.gz QIBYOZQIQNPJOE-SLFFLAALSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301129602 1046363147 /nfs/dbraw/zinc/36/31/47/1046363147.db2.gz XMMBQXYSUWIFQK-KRWDZBQOSA-N 1 0 385.581 3.817 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301146206 1046372435 /nfs/dbraw/zinc/37/24/35/1046372435.db2.gz VTOFERLPHFTYCP-GOSISDBHSA-N 1 0 382.556 3.560 20 30 GHEDRO C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](CC)[NH+]1CCCC1 ZINC001301286781 1046455194 /nfs/dbraw/zinc/45/51/94/1046455194.db2.gz KWDVELKOUXKFDF-KRWDZBQOSA-N 1 0 378.524 3.923 20 30 GHEDRO C=CCN(c1nnc(C2CCC2)n1CC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC001301322675 1046486044 /nfs/dbraw/zinc/48/60/44/1046486044.db2.gz LMAHPFNHIYHQOL-UHFFFAOYSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001301329694 1046493245 /nfs/dbraw/zinc/49/32/45/1046493245.db2.gz BAZIHUBOXLEGDU-GOSISDBHSA-N 1 0 397.542 3.895 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001301394032 1046523787 /nfs/dbraw/zinc/52/37/87/1046523787.db2.gz JHNVTPMASKQGBS-PMACEKPBSA-N 1 0 394.567 3.563 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301539714 1046587721 /nfs/dbraw/zinc/58/77/21/1046587721.db2.gz WACFFKSOPAKWFR-ZCNNSNEGSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301539786 1046588307 /nfs/dbraw/zinc/58/83/07/1046588307.db2.gz WQTFWHVMRCXUJN-ZCNNSNEGSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCSCCn1c(C2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301611514 1046622862 /nfs/dbraw/zinc/62/28/62/1046622862.db2.gz DGNBNNPZNPVPQK-UHFFFAOYSA-N 1 0 377.602 3.775 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCC[NH+]1CCCC1 ZINC001301956235 1046761310 /nfs/dbraw/zinc/76/13/10/1046761310.db2.gz GVJBSGDTIOBQRI-KRWDZBQOSA-N 1 0 392.507 3.773 20 30 GHEDRO Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NCC#CC[NH+](C)C ZINC001302295017 1046903001 /nfs/dbraw/zinc/90/30/01/1046903001.db2.gz FTTVYNAQBASHJY-UHFFFAOYSA-N 1 0 395.450 3.741 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1Cl ZINC001463140168 1070844041 /nfs/dbraw/zinc/84/40/41/1070844041.db2.gz QUFUIDVYHPHMLN-UHFFFAOYSA-N 1 0 389.908 3.503 20 30 GHEDRO CC(C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001302563323 1046978691 /nfs/dbraw/zinc/97/86/91/1046978691.db2.gz RZROOOKDYZJUGA-PZJWPPBQSA-N 1 0 394.567 3.704 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)O[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001263612054 1046997127 /nfs/dbraw/zinc/99/71/27/1046997127.db2.gz FCEMZGFGJHXHJX-LJQANCHMSA-N 1 0 394.471 3.830 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302880981 1047162638 /nfs/dbraw/zinc/16/26/38/1047162638.db2.gz YFKPDCWVZPGILE-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1C#N ZINC001264169164 1047258771 /nfs/dbraw/zinc/25/87/71/1047258771.db2.gz VSMGCDQMSJFWNN-GOSISDBHSA-N 1 0 383.517 3.831 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001303177180 1047305707 /nfs/dbraw/zinc/30/57/07/1047305707.db2.gz GYFIINJKQVMBAE-RBUKOAKNSA-N 1 0 386.588 3.900 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001303264118 1047329100 /nfs/dbraw/zinc/32/91/00/1047329100.db2.gz UTIBUMXNNWOZCQ-PMACEKPBSA-N 1 0 378.524 3.536 20 30 GHEDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC001303476725 1047400930 /nfs/dbraw/zinc/40/09/30/1047400930.db2.gz HTIILAXRNPASAZ-MRXNPFEDSA-N 1 0 381.451 3.903 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1C#N ZINC001303540995 1047420686 /nfs/dbraw/zinc/42/06/86/1047420686.db2.gz WFLOUKWKKQDIGH-CQSZACIVSA-N 1 0 384.549 3.641 20 30 GHEDRO Cc1nnc(N(CCC#N)CCC(C)C)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001304273114 1047633810 /nfs/dbraw/zinc/63/38/10/1047633810.db2.gz IYYMBZAEZRNJPI-OAQYLSRUSA-N 1 0 382.556 3.964 20 30 GHEDRO Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2CC[NH+]2CCCC2)cc1 ZINC001304431487 1047678028 /nfs/dbraw/zinc/67/80/28/1047678028.db2.gz HMKJQJHVTWWXFU-SFHVURJKSA-N 1 0 398.580 3.713 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304795231 1047771129 /nfs/dbraw/zinc/77/11/29/1047771129.db2.gz DNWAMCVFLHXFDG-HTAPYJJXSA-N 1 0 380.540 3.605 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024977 1047840638 /nfs/dbraw/zinc/84/06/38/1047840638.db2.gz KAOCYKWBHXLIAC-QRVBRYPASA-N 1 0 386.588 3.870 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001305101514 1047903026 /nfs/dbraw/zinc/90/30/26/1047903026.db2.gz DOSLBPWHYQAYAR-IBGZPJMESA-N 1 0 397.571 3.534 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N[C@@H](C)c1ncc[nH]1 ZINC001279832224 1047962505 /nfs/dbraw/zinc/96/25/05/1047962505.db2.gz MFBGMZBKIFQTOR-DLBZAZTESA-N 1 0 376.570 3.531 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2c(Cl)cccc2Cl)C3)C1 ZINC001279954254 1048007783 /nfs/dbraw/zinc/00/77/83/1048007783.db2.gz IHHFASSMDIMSRD-CCWDJLKJSA-N 1 0 392.330 3.823 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@H]2C[N@@H+](CCCC(F)(F)F)C[C@H]21 ZINC001279985892 1048028273 /nfs/dbraw/zinc/02/82/73/1048028273.db2.gz IZRNBOYZRJHJLI-GOEBONIOSA-N 1 0 382.455 3.604 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CCSC23C[NH+](CCCC2CCCCC2)C3)CCC1 ZINC001280158042 1048109782 /nfs/dbraw/zinc/10/97/82/1048109782.db2.gz QOZVTIVQOVCGAX-SFHVURJKSA-N 1 0 375.582 3.717 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)N2CCCCO2)CC1 ZINC001280234582 1048139856 /nfs/dbraw/zinc/13/98/56/1048139856.db2.gz LSYBOBUTYCZMGB-RTBURBONSA-N 1 0 376.566 3.651 20 30 GHEDRO CC(C)=CCC[C@@H](C)C[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1(C#N)CCC1 ZINC001280250034 1048146700 /nfs/dbraw/zinc/14/67/00/1048146700.db2.gz ZNVUWDWEYVAWPV-MSOLQXFVSA-N 1 0 375.582 3.739 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N(C)C[C@H](C)C#N)[NH+](C)C ZINC001305711262 1048226662 /nfs/dbraw/zinc/22/66/62/1048226662.db2.gz ZPNQQTDMVDNEFZ-YLJYHZDGSA-N 1 0 382.556 3.907 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001286283673 1048253704 /nfs/dbraw/zinc/25/37/04/1048253704.db2.gz YRBRZAZLIRYYRB-SJLPKXTDSA-N 1 0 393.491 3.735 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001286294857 1048259982 /nfs/dbraw/zinc/25/99/82/1048259982.db2.gz FXPUFIRCJQKBJZ-FQEVSTJZSA-N 1 0 393.579 3.847 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001286302906 1048264345 /nfs/dbraw/zinc/26/43/45/1048264345.db2.gz HEDYLYWOJAIKOM-UYAOXDASSA-N 1 0 395.551 3.899 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001286303785 1048265263 /nfs/dbraw/zinc/26/52/63/1048265263.db2.gz KEVZURZZSDZXLY-SFTDATJTSA-N 1 0 393.579 3.642 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001286305629 1048266485 /nfs/dbraw/zinc/26/64/85/1048266485.db2.gz UCFBBIUYSZUVTO-KRWDZBQOSA-N 1 0 397.592 3.662 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)(C)C)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001286435697 1048319892 /nfs/dbraw/zinc/31/98/92/1048319892.db2.gz GTCKQNFQBBWALF-OAQYLSRUSA-N 1 0 393.579 3.946 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001286440645 1048322466 /nfs/dbraw/zinc/32/24/66/1048322466.db2.gz HEHVQGMEVRIQQK-AWEZNQCLSA-N 1 0 389.906 3.680 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001286442009 1048324364 /nfs/dbraw/zinc/32/43/64/1048324364.db2.gz YSDYVPWBLFUKSB-UHFFFAOYSA-N 1 0 391.544 3.524 20 30 GHEDRO C#CCSCCn1c(CC(C)(C)C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286510031 1048343678 /nfs/dbraw/zinc/34/36/78/1048343678.db2.gz ZOFAYCCEMPBULY-UHFFFAOYSA-N 1 0 391.629 3.544 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001286516174 1048344492 /nfs/dbraw/zinc/34/44/92/1048344492.db2.gz CXUWSCANUGLLSI-FDDCHVKYSA-N 1 0 395.551 3.998 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286524973 1048350188 /nfs/dbraw/zinc/35/01/88/1048350188.db2.gz HCGWDRJLCVTRMG-SFYKDHMMSA-N 1 0 383.584 3.906 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)[NH+](C)C ZINC001286569292 1048368948 /nfs/dbraw/zinc/36/89/48/1048368948.db2.gz LLZLECFJARIQOW-OAHLLOKOSA-N 1 0 391.947 3.960 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286579301 1048373315 /nfs/dbraw/zinc/37/33/15/1048373315.db2.gz NVZBQYMKASDBHZ-RTBURBONSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(Cn1c(CC)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC001286616699 1048389535 /nfs/dbraw/zinc/38/95/35/1048389535.db2.gz BPGGAVZXTKXRBP-GOSISDBHSA-N 1 0 379.552 3.865 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[N@@H+]1CCC[C@H]1C ZINC001286719421 1048474606 /nfs/dbraw/zinc/47/46/06/1048474606.db2.gz IJLCPAHVAYNYOF-OAHLLOKOSA-N 1 0 389.931 3.714 20 30 GHEDRO C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC[NH+]1CCCC1)C1CC1 ZINC001286739523 1048498271 /nfs/dbraw/zinc/49/82/71/1048498271.db2.gz GLUZBESNBVVCSF-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001286757004 1048509449 /nfs/dbraw/zinc/50/94/49/1048509449.db2.gz CDQXGVLMEVICFS-PMACEKPBSA-N 1 0 387.572 3.615 20 30 GHEDRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001306286742 1048543702 /nfs/dbraw/zinc/54/37/02/1048543702.db2.gz LQABKZWHORSUEA-WIYYLYMNSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286966074 1048557710 /nfs/dbraw/zinc/55/77/10/1048557710.db2.gz PIWLQKAXHCNRQB-XLIONFOSSA-N 1 0 384.572 3.939 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C2CC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001306325024 1048569140 /nfs/dbraw/zinc/56/91/40/1048569140.db2.gz VQODLDDAOWZIIK-NRFANRHFSA-N 1 0 392.551 3.928 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[NH+](CC)CC ZINC001306344921 1048583233 /nfs/dbraw/zinc/58/32/33/1048583233.db2.gz KZLSDUCFQPBDGP-FXAWDEMLSA-N 1 0 380.540 3.926 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001306347426 1048586198 /nfs/dbraw/zinc/58/61/98/1048586198.db2.gz XGBGBJPOPUSYFM-WIYYLYMNSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001287361018 1048733633 /nfs/dbraw/zinc/73/36/33/1048733633.db2.gz UPIZLPOEDNZKBS-FPOVZHCZSA-N 1 0 394.567 3.737 20 30 GHEDRO CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001306693562 1048822064 /nfs/dbraw/zinc/82/20/64/1048822064.db2.gz JUPNHSYIEMHQAG-FQEVSTJZSA-N 1 0 380.540 3.783 20 30 GHEDRO CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001306702978 1048832692 /nfs/dbraw/zinc/83/26/92/1048832692.db2.gz KYUYTOAODFKSJS-IBGZPJMESA-N 1 0 380.540 3.785 20 30 GHEDRO CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCC[N@@H+]1CCC ZINC001306771425 1048877871 /nfs/dbraw/zinc/87/78/71/1048877871.db2.gz PENRDOSOHDHKHK-FQEVSTJZSA-N 1 0 380.540 3.927 20 30 GHEDRO N#Cc1cnc(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001287714435 1048902004 /nfs/dbraw/zinc/90/20/04/1048902004.db2.gz FPRQVMBVKCEJDP-GOSISDBHSA-N 1 0 382.895 3.781 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(C2CC2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC001287902166 1048941167 /nfs/dbraw/zinc/94/11/67/1048941167.db2.gz JGONQPKSCXCTMO-RTWAWAEBSA-N 1 0 392.551 3.629 20 30 GHEDRO N#CCc1ccccc1CC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001306904387 1048954054 /nfs/dbraw/zinc/95/40/54/1048954054.db2.gz SEFRXZJLOISACB-UHFFFAOYSA-N 1 0 383.495 3.791 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC2(C)C)CC1 ZINC001288260886 1049020997 /nfs/dbraw/zinc/02/09/97/1049020997.db2.gz CQEWICLOYPZDMK-LJQANCHMSA-N 1 0 392.551 3.830 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001288616126 1049162139 /nfs/dbraw/zinc/16/21/39/1049162139.db2.gz YHWASHDMIAEBQW-LPHOPBHVSA-N 1 0 390.491 3.701 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCCCC1 ZINC001288698096 1049202307 /nfs/dbraw/zinc/20/23/07/1049202307.db2.gz IXVSGTXNMUPGAW-AVRDEDQJSA-N 1 0 384.572 3.798 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001288799318 1049229631 /nfs/dbraw/zinc/22/96/31/1049229631.db2.gz CRELCOUDCGFEIQ-RTWAWAEBSA-N 1 0 377.513 3.535 20 30 GHEDRO C=CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001307586349 1049425909 /nfs/dbraw/zinc/42/59/09/1049425909.db2.gz VNQZPWZNOGIWEO-RTBURBONSA-N 1 0 393.572 3.570 20 30 GHEDRO CCCc1ccc([C@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C(C)C)cc1 ZINC001307602687 1049442259 /nfs/dbraw/zinc/44/22/59/1049442259.db2.gz FFTLOINJPXJZEL-LADGPHEKSA-N 1 0 398.595 3.618 20 30 GHEDRO C[C@@H](O)[C@H]1C[C@@H](C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001307687631 1049507211 /nfs/dbraw/zinc/50/72/11/1049507211.db2.gz GEHZNYDIWZSDII-BASYENTBSA-N 1 0 389.565 3.554 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC001307764037 1049576503 /nfs/dbraw/zinc/57/65/03/1049576503.db2.gz VLPWHVAEIQZFCK-LMNJBCLMSA-N 1 0 380.488 3.780 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cc1 ZINC001307854684 1049637353 /nfs/dbraw/zinc/63/73/53/1049637353.db2.gz WGIJCYWEMAZYJD-ZMSDIMECSA-N 1 0 394.519 3.889 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@H](O)COc3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC001307876814 1049659383 /nfs/dbraw/zinc/65/93/83/1049659383.db2.gz AOWCLZQKBPKTNF-SFHVURJKSA-N 1 0 390.405 3.986 20 30 GHEDRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC001307893626 1049671477 /nfs/dbraw/zinc/67/14/77/1049671477.db2.gz AWUZEAAFXNFMKZ-YWZLYKJASA-N 1 0 388.556 3.807 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC001307915914 1049692884 /nfs/dbraw/zinc/69/28/84/1049692884.db2.gz ZSZLXTLRTRVRMY-ZIAGYGMSSA-N 1 0 398.288 3.906 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC001307922957 1049698485 /nfs/dbraw/zinc/69/84/85/1049698485.db2.gz DVFDNWRMNRMUGD-UHFFFAOYSA-N 1 0 399.516 3.877 20 30 GHEDRO CCCCCCC[NH+]1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001307929575 1049702622 /nfs/dbraw/zinc/70/26/22/1049702622.db2.gz NSHNQBISHRWXDP-UHFFFAOYSA-N 1 0 386.584 3.512 20 30 GHEDRO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC001308009883 1049759629 /nfs/dbraw/zinc/75/96/29/1049759629.db2.gz GKYBHJCFVMJQFJ-PXNSSMCTSA-N 1 0 394.918 3.947 20 30 GHEDRO CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001290236522 1049771482 /nfs/dbraw/zinc/77/14/82/1049771482.db2.gz RCZASRNPHOXWEU-SFHVURJKSA-N 1 0 390.535 3.705 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1Cl ZINC001308024193 1049775609 /nfs/dbraw/zinc/77/56/09/1049775609.db2.gz BEYIIYWKOCOLSP-SXLOBPIMSA-N 1 0 389.927 3.521 20 30 GHEDRO C#CC[N@H+](C[C@@]1(C)CC1(Cl)Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075106 1049819899 /nfs/dbraw/zinc/81/98/99/1049819899.db2.gz IMXTUEOPULTSRQ-QGZVFWFLSA-N 1 0 375.340 3.905 20 30 GHEDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001308097483 1049844710 /nfs/dbraw/zinc/84/47/10/1049844710.db2.gz CZOXFUZHXVOLTK-PGRDOPGGSA-N 1 0 399.498 3.951 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](CCCCC3(C#N)CCC3)CC2)C1 ZINC001308123791 1049867277 /nfs/dbraw/zinc/86/72/77/1049867277.db2.gz DVJWXCQSXFWLJO-UHFFFAOYSA-N 1 0 391.556 3.951 20 30 GHEDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001308528781 1049999656 /nfs/dbraw/zinc/99/96/56/1049999656.db2.gz YDNBZSFDOYQWKR-ITDFMYJTSA-N 1 0 375.284 3.778 20 30 GHEDRO C[C@H]1C[C@H](C[NH+]2CCN(c3ccccc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001308660368 1050050969 /nfs/dbraw/zinc/05/09/69/1050050969.db2.gz MCKBYWQGWGEXKB-RBUKOAKNSA-N 1 0 398.551 3.716 20 30 GHEDRO C=CCOc1c(Cl)cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1OC ZINC001308739923 1050076722 /nfs/dbraw/zinc/07/67/22/1050076722.db2.gz GWZCUUOHGRIEOX-UHFFFAOYSA-N 1 0 391.855 3.787 20 30 GHEDRO CC(C)(C)OC(=O)NCCN1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC001308826318 1050110422 /nfs/dbraw/zinc/11/04/22/1050110422.db2.gz UTMQPYIRVINXJK-OAQYLSRUSA-N 1 0 398.551 3.514 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC4(CC[NH2+]CC4)C3)s2)cc1 ZINC001328677124 1050588289 /nfs/dbraw/zinc/58/82/89/1050588289.db2.gz JZQDMSMXTGGPAX-UHFFFAOYSA-N 1 0 395.532 3.603 20 30 GHEDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001330319737 1050999168 /nfs/dbraw/zinc/99/91/68/1050999168.db2.gz UHJUSUJSQQMZJX-MHIUNMELSA-N 1 0 375.516 3.680 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001330765916 1051098215 /nfs/dbraw/zinc/09/82/15/1051098215.db2.gz HIEQAJNZUUGVHJ-KRWDZBQOSA-N 1 0 382.430 3.677 20 30 GHEDRO C[NH+](C)C1(C)CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC001310086454 1051147130 /nfs/dbraw/zinc/14/71/30/1051147130.db2.gz DCWVTEXKJVIMBK-UHFFFAOYSA-N 1 0 397.548 3.990 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001310278448 1051266354 /nfs/dbraw/zinc/26/63/54/1051266354.db2.gz SDRXKJPYPMOPTA-IBGZPJMESA-N 1 0 376.504 3.723 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)[C@H]2C1 ZINC001310362340 1051306931 /nfs/dbraw/zinc/30/69/31/1051306931.db2.gz BIIDHHIUGBJEBK-VDZJLULYSA-N 1 0 394.450 3.951 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001310370863 1051314284 /nfs/dbraw/zinc/31/42/84/1051314284.db2.gz DZHRQDLPVFMEND-UHFFFAOYSA-N 1 0 395.478 3.966 20 30 GHEDRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1cccc(C#N)c1[O-] ZINC001332867293 1051586534 /nfs/dbraw/zinc/58/65/34/1051586534.db2.gz XCXFUKZABQAHEO-QGZVFWFLSA-N 1 0 391.393 3.753 20 30 GHEDRO C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(SC(F)(F)F)c1 ZINC001333296965 1051711395 /nfs/dbraw/zinc/71/13/95/1051711395.db2.gz DXBJFHLUOJLYNJ-KTYIZKFGSA-N 1 0 383.439 3.615 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001310963210 1051737309 /nfs/dbraw/zinc/73/73/09/1051737309.db2.gz GASMRFAYDRWTPA-QGZVFWFLSA-N 1 0 379.464 3.612 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001310963209 1051737380 /nfs/dbraw/zinc/73/73/80/1051737380.db2.gz GASMRFAYDRWTPA-KRWDZBQOSA-N 1 0 379.464 3.612 20 30 GHEDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)NC(CCC(F)(F)F)CCC(F)(F)F ZINC001334214083 1051919224 /nfs/dbraw/zinc/91/92/24/1051919224.db2.gz XRUVIKSLHTUGLZ-SECBINFHSA-N 1 0 399.326 3.584 20 30 GHEDRO C[C@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC001334387875 1051937277 /nfs/dbraw/zinc/93/72/77/1051937277.db2.gz KKUHHAAEJPIQGC-MRXNPFEDSA-N 1 0 397.544 3.710 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(C)c2OCc2ccccc2)CC1 ZINC001311241652 1051962322 /nfs/dbraw/zinc/96/23/22/1051962322.db2.gz SRUCFODHJBVKKQ-UHFFFAOYSA-N 1 0 377.488 3.793 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001334750937 1051973462 /nfs/dbraw/zinc/97/34/62/1051973462.db2.gz VUQQJKUKTHSQNO-BFYDXBDKSA-N 1 0 390.578 3.782 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001311498070 1052204642 /nfs/dbraw/zinc/20/46/42/1052204642.db2.gz UABKNPJXCDELRK-LJQANCHMSA-N 1 0 375.516 3.899 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC001311529284 1052223935 /nfs/dbraw/zinc/22/39/35/1052223935.db2.gz WUAVLSPGDFEVTJ-OAQYLSRUSA-N 1 0 381.907 3.826 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001311671509 1052317935 /nfs/dbraw/zinc/31/79/35/1052317935.db2.gz AEFTYFNDGSOLKC-HIHICTBBSA-N 1 0 382.552 3.834 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(C)C ZINC001312807425 1052876627 /nfs/dbraw/zinc/87/66/27/1052876627.db2.gz CSOOMCYTZMCUDL-YTFSRNRJSA-N 1 0 375.516 3.612 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)C1 ZINC001313713450 1053185858 /nfs/dbraw/zinc/18/58/58/1053185858.db2.gz UIJYNPNOMPZORM-KRWDZBQOSA-N 1 0 396.539 3.617 20 30 GHEDRO CC[NH+](CC)CCCn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1 ZINC001313716181 1053187800 /nfs/dbraw/zinc/18/78/00/1053187800.db2.gz OUHJIDMFWJVAEF-UHFFFAOYSA-N 1 0 386.588 3.873 20 30 GHEDRO CC[N@H+](CCn1c(CC(C)C)nnc1N(C)Cc1cccc(C#N)c1)C(C)C ZINC001313817822 1053245483 /nfs/dbraw/zinc/24/54/83/1053245483.db2.gz OBDWLDZJQCNXFQ-UHFFFAOYSA-N 1 0 382.556 3.715 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@](F)(C#N)C1 ZINC001313908862 1053285476 /nfs/dbraw/zinc/28/54/76/1053285476.db2.gz POGYIHKQRLYVQV-AVRDEDQJSA-N 1 0 396.514 3.570 20 30 GHEDRO C=CCO[C@H]1CCN(Cc2cc(Br)cc(Br)c2N)C1 ZINC001342658772 1053285711 /nfs/dbraw/zinc/28/57/11/1053285711.db2.gz YQWANYSVKNMCCR-LBPRGKRZSA-N 1 0 390.119 3.571 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001343006651 1053492467 /nfs/dbraw/zinc/49/24/67/1053492467.db2.gz DRKNITKHAQQAOA-XLIONFOSSA-N 1 0 378.524 3.732 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCCC(C)(C)C1)C1CCC1 ZINC001314683262 1053561950 /nfs/dbraw/zinc/56/19/50/1053561950.db2.gz HXEIOBVQUQEIIO-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCC[NH+]1CCCC1 ZINC001314741926 1053584035 /nfs/dbraw/zinc/58/40/35/1053584035.db2.gz ZKRJRDMMWGGSBB-UHFFFAOYSA-N 1 0 378.524 3.540 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC(C)(C)C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343344358 1053718392 /nfs/dbraw/zinc/71/83/92/1053718392.db2.gz KFACCSRHYOJIGY-SFHVURJKSA-N 1 0 389.588 3.779 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001343492119 1053809425 /nfs/dbraw/zinc/80/94/25/1053809425.db2.gz VJXYKCQTXHHXSK-RBUKOAKNSA-N 1 0 389.588 3.836 20 30 GHEDRO CN(CC[NH+]1CCCCC1)c1nnc(C(C)(C)CC#N)n1Cc1cccs1 ZINC001343568880 1053891806 /nfs/dbraw/zinc/89/18/06/1053891806.db2.gz PIHJJFSFPBPRMZ-UHFFFAOYSA-N 1 0 386.569 3.501 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1cccs1 ZINC001343615842 1053929765 /nfs/dbraw/zinc/92/97/65/1053929765.db2.gz YIBOAHARKLFYEX-QGZVFWFLSA-N 1 0 398.580 3.644 20 30 GHEDRO C=C(C)Cn1c(CCOCC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001343767301 1054010729 /nfs/dbraw/zinc/01/07/29/1054010729.db2.gz ASPXMVKYYVGZNJ-UHFFFAOYSA-N 1 0 389.588 3.668 20 30 GHEDRO Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC001344367108 1054386997 /nfs/dbraw/zinc/38/69/97/1054386997.db2.gz SCQCSMYCVOITLQ-FQEVSTJZSA-N 1 0 376.504 3.773 20 30 GHEDRO C=C1CCC(C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)CC1 ZINC001474702545 1054476247 /nfs/dbraw/zinc/47/62/47/1054476247.db2.gz SLVJIIYUFWVCOR-LJQANCHMSA-N 1 0 390.572 3.748 20 30 GHEDRO CC(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nnc1C1(C#N)CCCCC1 ZINC001345160545 1054923808 /nfs/dbraw/zinc/92/38/08/1054923808.db2.gz BXVKTGZMPGDIOH-UFYCRDLUSA-N 1 0 398.599 3.826 20 30 GHEDRO CSc1cc(Br)ccc1C[NH2+]CCNc1ncccc1C#N ZINC001319131460 1055052588 /nfs/dbraw/zinc/05/25/88/1055052588.db2.gz RRSGUVXKDFKUMM-UHFFFAOYSA-N 1 0 377.311 3.639 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC(SC)CC1 ZINC001345875268 1055304896 /nfs/dbraw/zinc/30/48/96/1055304896.db2.gz PAAOYXWDAPSLME-AYHJJNSGSA-N 1 0 389.613 3.601 20 30 GHEDRO C=CCn1cnn(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1=S ZINC001319751832 1055443904 /nfs/dbraw/zinc/44/39/04/1055443904.db2.gz YHLJWGHXEQVTPI-UXHICEINSA-N 1 0 383.565 3.544 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC001320035357 1055611969 /nfs/dbraw/zinc/61/19/69/1055611969.db2.gz XNRYEXVHMZXRID-XQBPLPMBSA-N 1 0 385.552 3.651 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC001320624486 1055906274 /nfs/dbraw/zinc/90/62/74/1055906274.db2.gz DTHVIAZYKSAQKZ-SWCONJRYSA-N 1 0 395.453 3.669 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1ccc(C#N)cn1 ZINC001320915749 1056013351 /nfs/dbraw/zinc/01/33/51/1056013351.db2.gz KXCUZAYMMTXLOH-KRWDZBQOSA-N 1 0 379.460 3.563 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300468873 1056206199 /nfs/dbraw/zinc/20/61/99/1056206199.db2.gz OBWANUPYWVRLSB-WOJBJXKFSA-N 1 0 393.579 3.615 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)C[NH+](C)C ZINC001300560583 1056477738 /nfs/dbraw/zinc/47/77/38/1056477738.db2.gz FJZFYXCYDAFBIQ-UHFFFAOYSA-N 1 0 397.954 3.649 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2OC)n1CC1CC[NH+](CCC)CC1 ZINC001300616178 1056671251 /nfs/dbraw/zinc/67/12/51/1056671251.db2.gz BQNQYVVZTFUIJH-UHFFFAOYSA-N 1 0 395.551 3.535 20 30 GHEDRO C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300618890 1056684458 /nfs/dbraw/zinc/68/44/58/1056684458.db2.gz OLUKIYHFRGBQMJ-GOSISDBHSA-N 1 0 390.535 3.618 20 30 GHEDRO C#CCN(CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001300635772 1056739148 /nfs/dbraw/zinc/73/91/48/1056739148.db2.gz VXANKPLTXYVWAU-JOCHJYFZSA-N 1 0 393.579 3.787 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC[N@@H+](CC)C1CC1 ZINC001300642964 1056753951 /nfs/dbraw/zinc/75/39/51/1056753951.db2.gz NSPAOZJFIKLXRZ-UHFFFAOYSA-N 1 0 383.515 3.665 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001323238970 1056942767 /nfs/dbraw/zinc/94/27/67/1056942767.db2.gz LRZFGKGYTKDUOD-UHFFFAOYSA-N 1 0 396.466 3.542 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1ccccc1F ZINC001200803538 1056966595 /nfs/dbraw/zinc/96/65/95/1056966595.db2.gz UHLWYIQTFRVSRI-GOTSBHOMSA-N 1 0 381.495 3.764 20 30 GHEDRO N#Cc1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001354888017 1056973049 /nfs/dbraw/zinc/97/30/49/1056973049.db2.gz IOZUMUMMBZEZAX-XZOQPEGZSA-N 1 0 383.451 3.774 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1 ZINC001323728247 1057005830 /nfs/dbraw/zinc/00/58/30/1057005830.db2.gz HSFAKWDAXDGTOJ-IBGZPJMESA-N 1 0 377.423 3.562 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC001323785487 1057013172 /nfs/dbraw/zinc/01/31/72/1057013172.db2.gz MEWQEKHXVNJXJJ-HXUWFJFHSA-N 1 0 398.459 3.959 20 30 GHEDRO C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000848396279 1057063231 /nfs/dbraw/zinc/06/32/31/1057063231.db2.gz KKMHFWPXARVQGE-LPHOPBHVSA-N 1 0 378.476 3.527 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc2c1ccc(F)c2F ZINC001355284029 1057106038 /nfs/dbraw/zinc/10/60/38/1057106038.db2.gz VNKUBJMVECMDLO-UHFFFAOYSA-N 1 0 397.425 3.716 20 30 GHEDRO C#CCN(CC1CC1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC001324368009 1057121373 /nfs/dbraw/zinc/12/13/73/1057121373.db2.gz AWWJENYCFUXOPV-UHFFFAOYSA-N 1 0 375.516 3.970 20 30 GHEDRO N#CCCCC[C@@H](N)c1nc(Cc2ccc(OCc3ccncc3)cc2)no1 ZINC000848625408 1057212269 /nfs/dbraw/zinc/21/22/69/1057212269.db2.gz SRCNMCAMTJBQTQ-LJQANCHMSA-N 1 0 377.448 3.718 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1cnccc1NC(=O)OC(C)(C)C ZINC001325887645 1057380503 /nfs/dbraw/zinc/38/05/03/1057380503.db2.gz HRIQYSLQDCYQGG-HNNXBMFYSA-N 1 0 382.464 3.604 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SCC)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001356509912 1057532960 /nfs/dbraw/zinc/53/29/60/1057532960.db2.gz AHVAZLINMBIGML-CADBVGFASA-N 1 0 391.629 3.705 20 30 GHEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)c(F)c1 ZINC001326751890 1057548789 /nfs/dbraw/zinc/54/87/89/1057548789.db2.gz JWHUAZRWVXBUHH-OAHLLOKOSA-N 1 0 383.442 3.721 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001356578388 1057555856 /nfs/dbraw/zinc/55/58/56/1057555856.db2.gz NTUHQXKWLDGWDE-PCCBWWKXSA-N 1 0 390.535 3.582 20 30 GHEDRO CCCC[NH+]=C(NCc1cnn(CC(F)(F)F)c1)NCc1ccc(C)cc1 ZINC000849091567 1057590266 /nfs/dbraw/zinc/59/02/66/1057590266.db2.gz QCDGNPSTANTEJK-UHFFFAOYSA-N 1 0 381.446 3.789 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC001337728880 1058239510 /nfs/dbraw/zinc/23/95/10/1058239510.db2.gz YQOQQFJILOYEQN-GOSISDBHSA-N 1 0 376.298 3.720 20 30 GHEDRO COc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)cc1C#N ZINC001338143880 1058424370 /nfs/dbraw/zinc/42/43/70/1058424370.db2.gz DJDOVZQMZXQEOR-NRFANRHFSA-N 1 0 377.488 3.546 20 30 GHEDRO COc1cccc([C@H](CNC(=O)[C@@H](CC#N)c2ccccc2)[NH+]2CCCC2)c1 ZINC001440368364 1058503461 /nfs/dbraw/zinc/50/34/61/1058503461.db2.gz FWPYYCZMFIDTEO-VXKWHMMOSA-N 1 0 377.488 3.646 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC001440599068 1058543537 /nfs/dbraw/zinc/54/35/37/1058543537.db2.gz ZJRKZCNPRHDVTR-OAQYLSRUSA-N 1 0 390.531 3.600 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001338622822 1058690892 /nfs/dbraw/zinc/69/08/92/1058690892.db2.gz WHMWOSZNZSOQJV-UHFFFAOYSA-N 1 0 393.626 3.788 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001338736326 1058755382 /nfs/dbraw/zinc/75/53/82/1058755382.db2.gz WHTAURULCPNIBO-IBGZPJMESA-N 1 0 384.572 3.649 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339140081 1058978119 /nfs/dbraw/zinc/97/81/19/1058978119.db2.gz MWQAGBAAGMXBAJ-RBUKOAKNSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001339232258 1059027590 /nfs/dbraw/zinc/02/75/90/1059027590.db2.gz AOZFXEPNUKIZIP-FUHWJXTLSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001339233469 1059028525 /nfs/dbraw/zinc/02/85/25/1059028525.db2.gz PNZPJDLERFAPOV-SFHVURJKSA-N 1 0 384.528 3.520 20 30 GHEDRO C[NH+](C)CCOc1cccc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 ZINC001443387928 1059118457 /nfs/dbraw/zinc/11/84/57/1059118457.db2.gz JKSHVWOXDDIBCK-UHFFFAOYSA-N 1 0 392.286 3.735 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1=Cc2ccccc2O[C@H]1C(F)F)C(C)C ZINC001443427633 1059128290 /nfs/dbraw/zinc/12/82/90/1059128290.db2.gz NCTSWCHQVLJVOC-AZUAARDMSA-N 1 0 390.474 3.911 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001339500681 1059258628 /nfs/dbraw/zinc/25/86/28/1059258628.db2.gz QOZBORIVKPVOOB-MRXNPFEDSA-N 1 0 396.495 3.547 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N(Cc3ccco3)Cc3ccco3)n2CC)CC1 ZINC001339538304 1059285724 /nfs/dbraw/zinc/28/57/24/1059285724.db2.gz HKGLAZZEXXHZHC-UHFFFAOYSA-N 1 0 393.491 3.503 20 30 GHEDRO CC[C@H](Cn1c(C2CC2)nnc1N(C)C[C@@H](C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC001545981776 1059713739 /nfs/dbraw/zinc/71/37/39/1059713739.db2.gz BDPLLVTWPUQVEK-LAUBAEHRSA-N 1 0 392.551 3.588 20 30 GHEDRO CCn1c(Cc2cccc(C#N)c2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001340288352 1059828224 /nfs/dbraw/zinc/82/82/24/1059828224.db2.gz PSTZNODLGFCYEJ-UHFFFAOYSA-N 1 0 392.551 3.524 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@H]1CCCC1(F)F ZINC001340505841 1059954938 /nfs/dbraw/zinc/95/49/38/1059954938.db2.gz JGKRVDVHYRKCPH-MRXNPFEDSA-N 1 0 391.470 3.574 20 30 GHEDRO C=CCn1c([C@@H](OC)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001340782998 1060122136 /nfs/dbraw/zinc/12/21/36/1060122136.db2.gz LAAWCBPCLUVUHS-KRWDZBQOSA-N 1 0 389.569 3.572 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)C1 ZINC001341147747 1060449954 /nfs/dbraw/zinc/44/99/54/1060449954.db2.gz VAQSPFVUHQBAKO-HXUWFJFHSA-N 1 0 394.567 3.587 20 30 GHEDRO C[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001450673895 1060649408 /nfs/dbraw/zinc/64/94/08/1060649408.db2.gz RQBULGNZZZSVQZ-UHFFFAOYSA-N 1 0 386.455 3.859 20 30 GHEDRO C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001342013108 1060995805 /nfs/dbraw/zinc/99/58/05/1060995805.db2.gz SKVBGWDCIDKKFS-INIZCTEOSA-N 1 0 379.499 3.822 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC(C)C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342216553 1061142723 /nfs/dbraw/zinc/14/27/23/1061142723.db2.gz GVSMYXLANZXSIP-LJQANCHMSA-N 1 0 389.588 3.779 20 30 GHEDRO C=CCCCN(CC)c1nnc([C@H]2CCC[N@@H+]2C2CCOCC2)n1CC1CC1 ZINC001345939404 1061224010 /nfs/dbraw/zinc/22/40/10/1061224010.db2.gz LNXHDSNIHOQAAA-HXUWFJFHSA-N 1 0 387.572 3.797 20 30 GHEDRO CCC(CC)(CNC(=O)NCC1(C#N)CCOCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001346200127 1061444938 /nfs/dbraw/zinc/44/49/38/1061444938.db2.gz JSVCVUTVHWSFMR-SFHVURJKSA-N 1 0 386.540 3.516 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC1CC1 ZINC001346477556 1061591244 /nfs/dbraw/zinc/59/12/44/1061591244.db2.gz JSLQTRRUYFNBOG-UHFFFAOYSA-N 1 0 398.599 3.972 20 30 GHEDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C[C@@]2(C)C1 ZINC001454289359 1061700898 /nfs/dbraw/zinc/70/08/98/1061700898.db2.gz XADBIVISMCOKDR-PSWAGMNNSA-N 1 0 389.499 3.551 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CCC[C@@H](C2CCOCC2)C1 ZINC001346627349 1061744717 /nfs/dbraw/zinc/74/47/17/1061744717.db2.gz LSEPEXSTTSXSID-UXHICEINSA-N 1 0 387.572 3.654 20 30 GHEDRO C=C(C)Cn1c([C@H](O)c2cccc(C)c2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001346743586 1061842096 /nfs/dbraw/zinc/84/20/96/1061842096.db2.gz OGVPULNDSBLSQD-OAQYLSRUSA-N 1 0 397.567 3.520 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(-c3cccc(CC#N)c3)n2CC2CC2)CC1 ZINC001346832946 1061928735 /nfs/dbraw/zinc/92/87/35/1061928735.db2.gz MYGYSSSCGZYVJD-UHFFFAOYSA-N 1 0 392.551 3.732 20 30 GHEDRO N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC001347247025 1062240373 /nfs/dbraw/zinc/24/03/73/1062240373.db2.gz VBFJTLHCCWWHJV-RYFAJOAYSA-N 1 0 375.472 3.533 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001456196160 1062548633 /nfs/dbraw/zinc/54/86/33/1062548633.db2.gz LXTHPSQFOPECHA-UHFFFAOYSA-N 1 0 380.113 3.880 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2csc(C#N)c2)CC1 ZINC001348020208 1062849925 /nfs/dbraw/zinc/84/99/25/1062849925.db2.gz IISYTFDXFJQWHU-UHFFFAOYSA-N 1 0 375.881 3.998 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC001348958788 1063445185 /nfs/dbraw/zinc/44/51/85/1063445185.db2.gz XPXFFUYFHYPCEW-QGZVFWFLSA-N 1 0 382.895 3.656 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(Br)c(C#N)n1)c1ccccc1 ZINC001437010065 1063735996 /nfs/dbraw/zinc/73/59/96/1063735996.db2.gz RLSKFZSTTIVNBR-QGZVFWFLSA-N 1 0 387.281 3.737 20 30 GHEDRO C[C@@H]1CN(c2cc(C#N)c(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC001458384327 1063776561 /nfs/dbraw/zinc/77/65/61/1063776561.db2.gz GPNUMSQYQGWBAR-HNNXBMFYSA-N 1 0 385.309 3.674 20 30 GHEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001459600651 1064138847 /nfs/dbraw/zinc/13/88/47/1064138847.db2.gz BPKMIGLOUHPUME-OLMNPRSZSA-N 1 0 389.565 3.699 20 30 GHEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001459600705 1064139059 /nfs/dbraw/zinc/13/90/59/1064139059.db2.gz BPKMIGLOUHPUME-QGTPRVQTSA-N 1 0 389.565 3.699 20 30 GHEDRO CC1(C)CCC[C@H]1[N@@H+](Cc1ccccc1)Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459604766 1064139900 /nfs/dbraw/zinc/13/99/00/1064139900.db2.gz UZWUBZLSJNKCRQ-LJQANCHMSA-N 1 0 375.476 3.887 20 30 GHEDRO N#Cc1cccc(OCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459653243 1064155761 /nfs/dbraw/zinc/15/57/61/1064155761.db2.gz HKSVTBANHXEBLI-LADGPHEKSA-N 1 0 375.516 3.924 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2C)[NH+]2CCCCC2)cc1 ZINC001351042201 1064247646 /nfs/dbraw/zinc/24/76/46/1064247646.db2.gz KBACYJMRSSXKLL-QFIPXVFZSA-N 1 0 377.488 3.832 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2C)[NH+]2CCCCC2)cc1 ZINC001351042198 1064247759 /nfs/dbraw/zinc/24/77/59/1064247759.db2.gz KBACYJMRSSXKLL-JOCHJYFZSA-N 1 0 377.488 3.832 20 30 GHEDRO C=C(C)CS(=O)(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001463757538 1064590814 /nfs/dbraw/zinc/59/08/14/1064590814.db2.gz YTQXFDCJEZJDFC-OAQYLSRUSA-N 1 0 378.582 3.557 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001351980561 1064744753 /nfs/dbraw/zinc/74/47/53/1064744753.db2.gz HSZFSBHUCXSACZ-LQWHRVPQSA-N 1 0 399.489 3.512 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001463987950 1064755535 /nfs/dbraw/zinc/75/55/35/1064755535.db2.gz TWUOMUUNWCSUOO-PKHIPVCBSA-N 1 0 386.536 3.900 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC001352101456 1064833847 /nfs/dbraw/zinc/83/38/47/1064833847.db2.gz CBPQZWIHQNZQRL-FQEVSTJZSA-N 1 0 381.524 3.623 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc2c(Br)cccc12 ZINC001464476415 1065034472 /nfs/dbraw/zinc/03/44/72/1065034472.db2.gz MMHCWTHATOJXPF-UHFFFAOYSA-N 1 0 388.309 3.910 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Cc2c(C)cc(C#N)cc2C)[NH+]2CCCC2)cc1 ZINC001464597979 1065103112 /nfs/dbraw/zinc/10/31/12/1065103112.db2.gz REIFUYYUQYPRDN-QHCPKHFHSA-N 1 0 375.516 3.979 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC[NH+]1CCC(C)CC1 ZINC001492556800 1065108242 /nfs/dbraw/zinc/10/82/42/1065108242.db2.gz SLOAVPJTZMXPDP-LJQANCHMSA-N 1 0 380.540 3.724 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(N(C)C)c2ccccc2n1)C(C)C ZINC001464874400 1065255440 /nfs/dbraw/zinc/25/54/40/1065255440.db2.gz ZWFUTLYXXIAGPI-JOCHJYFZSA-N 1 0 380.536 3.729 20 30 GHEDRO C=C1CCC(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001464951853 1065288412 /nfs/dbraw/zinc/28/84/12/1065288412.db2.gz JSBCORHUNOBRPS-UHFFFAOYSA-N 1 0 375.944 3.715 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001465028301 1065338027 /nfs/dbraw/zinc/33/80/27/1065338027.db2.gz BSTSEWHWWHSQTE-FQEVSTJZSA-N 1 0 387.487 3.561 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CC)C[NH+]2CCCC2)s1 ZINC001465068581 1065369673 /nfs/dbraw/zinc/36/96/73/1065369673.db2.gz SCJUWODYPVIZRS-CQSZACIVSA-N 1 0 388.002 3.829 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[NH+]1CCCC1 ZINC001300272340 1065901834 /nfs/dbraw/zinc/90/18/34/1065901834.db2.gz BASCYBVTDMJHGA-FQEVSTJZSA-N 1 0 391.563 3.692 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001300303078 1065957606 /nfs/dbraw/zinc/95/76/06/1065957606.db2.gz HPCVLLRWGRFZFI-GOSISDBHSA-N 1 0 377.536 3.648 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001300303725 1065958768 /nfs/dbraw/zinc/95/87/68/1065958768.db2.gz MQQWPHADWHOTHF-SFHVURJKSA-N 1 0 392.551 3.705 20 30 GHEDRO CC[C@H]1C[C@@H](CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000847747331 1066023862 /nfs/dbraw/zinc/02/38/62/1066023862.db2.gz GKNIXTBXYKNDAL-SFTDATJTSA-N 1 0 384.520 3.931 20 30 GHEDRO C[C@@H]1CCCc2ncc(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)n21 ZINC000847747047 1066027060 /nfs/dbraw/zinc/02/70/60/1066027060.db2.gz WGWZMMGZVWUSBY-GOSISDBHSA-N 1 0 392.503 3.743 20 30 GHEDRO Cc1nc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000847747761 1066033428 /nfs/dbraw/zinc/03/34/28/1066033428.db2.gz PXYLZRXAGKCPIM-UHFFFAOYSA-N 1 0 383.517 3.652 20 30 GHEDRO N#Cc1cc(NC(=O)NCCCCC[NH+]2CCCC2)ccc1OC(F)(F)F ZINC001466343733 1066104032 /nfs/dbraw/zinc/10/40/32/1066104032.db2.gz TWPYASGWPWPCBF-UHFFFAOYSA-N 1 0 384.402 3.844 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001300366634 1066114197 /nfs/dbraw/zinc/11/41/97/1066114197.db2.gz OCYZJTUZVSJPIW-LEWJYISDSA-N 1 0 393.579 3.900 20 30 GHEDRO C#CCCCCn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300371721 1066127487 /nfs/dbraw/zinc/12/74/87/1066127487.db2.gz VUINIENHLRUHMW-QFIPXVFZSA-N 1 0 391.563 3.745 20 30 GHEDRO Cc1nsc(NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC001466468176 1066165771 /nfs/dbraw/zinc/16/57/71/1066165771.db2.gz VHVQEIYJDKABAL-UHFFFAOYSA-N 1 0 383.521 3.747 20 30 GHEDRO C#C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001466568233 1066195680 /nfs/dbraw/zinc/19/56/80/1066195680.db2.gz LIDUNIBBPZYGET-MRXNPFEDSA-N 1 0 375.900 3.833 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300432243 1066315044 /nfs/dbraw/zinc/31/50/44/1066315044.db2.gz UMACGEDBWMQKDJ-CTNGQTDRSA-N 1 0 379.552 3.621 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)C ZINC001467090382 1067060987 /nfs/dbraw/zinc/06/09/87/1067060987.db2.gz MUZWGNMYVWBDTE-INIZCTEOSA-N 1 0 395.891 3.651 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(F)cc1F ZINC001467185360 1067133461 /nfs/dbraw/zinc/13/34/61/1067133461.db2.gz IVKZSNTXCHVGEG-MRXNPFEDSA-N 1 0 376.432 3.857 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001358876395 1067590793 /nfs/dbraw/zinc/59/07/93/1067590793.db2.gz IQJRYLQRKHFQOY-VQIMIIECSA-N 1 0 385.943 3.931 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358885775 1067596684 /nfs/dbraw/zinc/59/66/84/1067596684.db2.gz QICZRCZCHKGASO-WOJBJXKFSA-N 1 0 394.567 3.761 20 30 GHEDRO C#CCCCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001358918084 1067612962 /nfs/dbraw/zinc/61/29/62/1067612962.db2.gz KGBZWJKIQKTDKA-OAQYLSRUSA-N 1 0 399.583 3.635 20 30 GHEDRO C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001358920917 1067614209 /nfs/dbraw/zinc/61/42/09/1067614209.db2.gz KRXPUMPMJSKQDC-OAQYLSRUSA-N 1 0 379.552 3.764 20 30 GHEDRO C#CCCCn1c(-c2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001358925677 1067615277 /nfs/dbraw/zinc/61/52/77/1067615277.db2.gz NLIMKGKJKGIEBL-UHFFFAOYSA-N 1 0 395.526 3.952 20 30 GHEDRO C#CCCCn1c(CC(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001358930731 1067617368 /nfs/dbraw/zinc/61/73/68/1067617368.db2.gz BVWHRNDAMYKEES-OAQYLSRUSA-N 1 0 393.579 3.991 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCCCCC1 ZINC001358942643 1067623260 /nfs/dbraw/zinc/62/32/60/1067623260.db2.gz CSNYCMFPOAZGAP-UHFFFAOYSA-N 1 0 389.906 3.683 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)[NH+](CC)CC ZINC001358989256 1067637162 /nfs/dbraw/zinc/63/71/62/1067637162.db2.gz VLWDSWRIYFBEAW-HXUWFJFHSA-N 1 0 391.563 3.701 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359011223 1067651198 /nfs/dbraw/zinc/65/11/98/1067651198.db2.gz OZCYLZAZGHUTLX-IBGZPJMESA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359011419 1067652298 /nfs/dbraw/zinc/65/22/98/1067652298.db2.gz XDYFALFYYDSUTL-OAQYLSRUSA-N 1 0 393.579 3.757 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CC[N@@H+](C)C(C)C ZINC001359016683 1067655481 /nfs/dbraw/zinc/65/54/81/1067655481.db2.gz JTTFBEMSYIOAIB-UHFFFAOYSA-N 1 0 383.515 3.665 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359109143 1067688440 /nfs/dbraw/zinc/68/84/40/1067688440.db2.gz QQZMHZPABBSOTA-IBGZPJMESA-N 1 0 398.511 3.596 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359113612 1067692092 /nfs/dbraw/zinc/69/20/92/1067692092.db2.gz MJPKJWWWSZPFCQ-VQTJNVASSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359114332 1067692741 /nfs/dbraw/zinc/69/27/41/1067692741.db2.gz HVPTWXUBWOGNRT-HXUWFJFHSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001359163018 1067718606 /nfs/dbraw/zinc/71/86/06/1067718606.db2.gz OBTKEGBYSQXZLW-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO C#C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC001468450311 1067735531 /nfs/dbraw/zinc/73/55/31/1067735531.db2.gz DZYVRRYVJYBXGX-IBGZPJMESA-N 1 0 385.305 3.658 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359187891 1067754550 /nfs/dbraw/zinc/75/45/50/1067754550.db2.gz AUKHDSVAZGQVGK-GUDVDZBRSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCCCCn1c(-c2cccnc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359200844 1067767461 /nfs/dbraw/zinc/76/74/61/1067767461.db2.gz SQMXHJOTZPTPKD-FQEVSTJZSA-N 1 0 380.540 3.761 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC001468639030 1067801106 /nfs/dbraw/zinc/80/11/06/1067801106.db2.gz FMHIFNUFVLHWRW-NRFANRHFSA-N 1 0 385.552 3.620 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359263171 1067925745 /nfs/dbraw/zinc/92/57/45/1067925745.db2.gz SCKMFDZYKNAZSA-IBGZPJMESA-N 1 0 396.564 3.868 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359269609 1067935428 /nfs/dbraw/zinc/93/54/28/1067935428.db2.gz IKERLZQJLFVHEB-LJQANCHMSA-N 1 0 382.556 3.727 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359270898 1067937815 /nfs/dbraw/zinc/93/78/15/1067937815.db2.gz FSVXWWHHRVRWQW-OALUTQOASA-N 1 0 387.572 3.819 20 30 GHEDRO C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001359280323 1067951875 /nfs/dbraw/zinc/95/18/75/1067951875.db2.gz MMWKZZKSALLNJA-LJQANCHMSA-N 1 0 397.567 3.624 20 30 GHEDRO Cc1ccc(CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001469255044 1068065807 /nfs/dbraw/zinc/06/58/07/1068065807.db2.gz OJHLDIVFKMXHBN-RTBURBONSA-N 1 0 390.531 3.823 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001359472890 1068068930 /nfs/dbraw/zinc/06/89/30/1068068930.db2.gz SKOMEYGIGNVSGS-OXQOHEQNSA-N 1 0 398.530 3.974 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1([NH+](C)C)CCC1 ZINC001360469338 1068518359 /nfs/dbraw/zinc/51/83/59/1068518359.db2.gz APRBKYNPNFOVBO-OAHLLOKOSA-N 1 0 386.931 3.821 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001470026131 1068530384 /nfs/dbraw/zinc/53/03/84/1068530384.db2.gz WZDYGEAYDGHBKW-JOCHJYFZSA-N 1 0 390.531 3.701 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001360541774 1068551030 /nfs/dbraw/zinc/55/10/30/1068551030.db2.gz NXRCBMUPSAQEDT-LPHOPBHVSA-N 1 0 380.540 3.639 20 30 GHEDRO C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)C1 ZINC001360785303 1068628953 /nfs/dbraw/zinc/62/89/53/1068628953.db2.gz SXFQUEYWJNIWGK-QFIPXVFZSA-N 1 0 384.572 3.942 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c1 ZINC001460160367 1068822477 /nfs/dbraw/zinc/82/24/77/1068822477.db2.gz IPZPQCUEUUXPLU-LZJOCLMNSA-N 1 0 375.472 3.583 20 30 GHEDRO CC#CC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001460393751 1068952056 /nfs/dbraw/zinc/95/20/56/1068952056.db2.gz SITMYZXEXZXKTN-WMZOPIPTSA-N 1 0 376.472 3.540 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC001460527020 1068988335 /nfs/dbraw/zinc/98/83/35/1068988335.db2.gz IBIIYETVVWDKER-FHLLLWTNSA-N 1 0 382.552 3.516 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC001460610373 1069027877 /nfs/dbraw/zinc/02/78/77/1069027877.db2.gz QBVQEYVAPZTFSX-BFYDXBDKSA-N 1 0 392.341 3.635 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1C#N ZINC001460642196 1069050211 /nfs/dbraw/zinc/05/02/11/1069050211.db2.gz PIHKQLNGCUJOKH-HDICACEKSA-N 1 0 392.478 3.941 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)C2(C)CC2)c1C#N ZINC001460890688 1069257039 /nfs/dbraw/zinc/25/70/39/1069257039.db2.gz OPZNSGHBFCFHLC-MRXNPFEDSA-N 1 0 382.483 3.881 20 30 GHEDRO C[C@@H](Oc1ccc([C@H](C)NC(=O)NCC#CC[NH+](C)C)cc1)c1ccccc1 ZINC001470725708 1072708420 /nfs/dbraw/zinc/70/84/20/1072708420.db2.gz BZMMDJMHMXLCMI-RBUKOAKNSA-N 1 0 379.504 3.752 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1SCC#N ZINC001470780734 1072736906 /nfs/dbraw/zinc/73/69/06/1072736906.db2.gz NGLAXNIGQSLWCO-XLIONFOSSA-N 1 0 379.529 3.943 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC001470785888 1072738784 /nfs/dbraw/zinc/73/87/84/1072738784.db2.gz FBLNWZNYVAOXIX-SFTDATJTSA-N 1 0 379.589 3.901 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001470937812 1072831522 /nfs/dbraw/zinc/83/15/22/1072831522.db2.gz PWZWGUXMECFDHJ-UHFFFAOYSA-N 1 0 399.498 3.939 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc1F ZINC001478823237 1078995864 /nfs/dbraw/zinc/99/58/64/1078995864.db2.gz RNCXMYWUXOWVDL-NRFANRHFSA-N 1 0 394.494 3.941 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC(C)(C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001471143873 1072940180 /nfs/dbraw/zinc/94/01/80/1072940180.db2.gz HJNYZQMZLADOQQ-JOCHJYFZSA-N 1 0 390.531 3.762 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001472713620 1073631001 /nfs/dbraw/zinc/63/10/01/1073631001.db2.gz OQPVFFKOMBPQND-QFIPXVFZSA-N 1 0 391.475 3.541 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001473157736 1073815830 /nfs/dbraw/zinc/81/58/30/1073815830.db2.gz MQMKRNNPBVBADU-QFIPXVFZSA-N 1 0 383.923 3.680 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)c1 ZINC001473247317 1073887185 /nfs/dbraw/zinc/88/71/85/1073887185.db2.gz NBBHEPQRSOLICD-QFIPXVFZSA-N 1 0 375.472 3.837 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001473333163 1073924115 /nfs/dbraw/zinc/92/41/15/1073924115.db2.gz UMYDBHPXUADMSZ-AOMKIAJQSA-N 1 0 386.455 3.590 20 30 GHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc(C#N)c1 ZINC001473387895 1073945271 /nfs/dbraw/zinc/94/52/71/1073945271.db2.gz NEXSOZYIBWDIKJ-SJKOYZFVSA-N 1 0 375.266 3.714 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001473398323 1073949151 /nfs/dbraw/zinc/94/91/51/1073949151.db2.gz JFJHKNATCYDKNE-KRWDZBQOSA-N 1 0 383.517 3.600 20 30 GHEDRO C#CCOCC[NH+]1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001473468049 1073980072 /nfs/dbraw/zinc/98/00/72/1073980072.db2.gz CTPHLAIUFIRUAH-UHFFFAOYSA-N 1 0 384.907 3.691 20 30 GHEDRO CCc1cc2c(C[N@H+](C)CCOCc3ccc(C#N)cc3)cc(=O)oc2cc1O ZINC001473517024 1073997542 /nfs/dbraw/zinc/99/75/42/1073997542.db2.gz BWTAVSDGWHWOTB-UHFFFAOYSA-N 1 0 392.455 3.581 20 30 GHEDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C12CCC2 ZINC001473535223 1074007557 /nfs/dbraw/zinc/00/75/57/1074007557.db2.gz FCNOSKDIJILSKD-JEBQAFNWSA-N 1 0 387.549 3.620 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC001473785451 1074141772 /nfs/dbraw/zinc/14/17/72/1074141772.db2.gz YSNFKEGLXKPHFW-QGZVFWFLSA-N 1 0 380.448 3.809 20 30 GHEDRO C#CC[N@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473797291 1074147035 /nfs/dbraw/zinc/14/70/35/1074147035.db2.gz NICNVIRIHCOCFZ-KRWDZBQOSA-N 1 0 378.557 3.915 20 30 GHEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC001473839116 1074167787 /nfs/dbraw/zinc/16/77/87/1074167787.db2.gz SDTMTCQHTZAIIK-IBGZPJMESA-N 1 0 378.394 3.669 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(I)s2)cc1 ZINC001474151629 1074278135 /nfs/dbraw/zinc/27/81/35/1074278135.db2.gz UFJDAODHUMJXNL-UHFFFAOYSA-N 1 0 383.254 3.655 20 30 GHEDRO C#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC001474150204 1074278056 /nfs/dbraw/zinc/27/80/56/1074278056.db2.gz CCEBMRFVBYKSIY-MRXNPFEDSA-N 1 0 376.269 3.510 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001474306625 1074333292 /nfs/dbraw/zinc/33/32/92/1074333292.db2.gz PKHFNLXIVLDOHC-SFHVURJKSA-N 1 0 397.828 3.817 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001474561624 1074464266 /nfs/dbraw/zinc/46/42/66/1074464266.db2.gz JTVBVKHJUFNRQS-QHCPKHFHSA-N 1 0 398.551 3.847 20 30 GHEDRO C[C@H]1CCC[C@@](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC2)([NH+](C)C)C1 ZINC001493511876 1079275417 /nfs/dbraw/zinc/27/54/17/1079275417.db2.gz UNGKABSLJPTYOZ-FDDCHVKYSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493512725 1079275476 /nfs/dbraw/zinc/27/54/76/1079275476.db2.gz WEUROQOHUXCESV-LZJOCLMNSA-N 1 0 383.544 3.522 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cccc(F)c3C#N)C2)O1 ZINC001474682195 1074511719 /nfs/dbraw/zinc/51/17/19/1074511719.db2.gz UANGRVXXACZCRG-WZONZLPQSA-N 1 0 379.479 3.563 20 30 GHEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001474716914 1074530925 /nfs/dbraw/zinc/53/09/25/1074530925.db2.gz DVEQGLOHEGAAEA-OUQXZNHLSA-N 1 0 377.448 3.841 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC001474751760 1074545206 /nfs/dbraw/zinc/54/52/06/1074545206.db2.gz FGOVKLHSESLRBP-JOCHJYFZSA-N 1 0 387.487 3.822 20 30 GHEDRO CC1CC[NH+](CCCn2c(N3CCC[C@](C)(C#N)C3)nnc2C(C)(C)C)CC1 ZINC001494066301 1079320638 /nfs/dbraw/zinc/32/06/38/1079320638.db2.gz GXPOKYIPACGPIP-JOCHJYFZSA-N 1 0 386.588 3.828 20 30 GHEDRO CC1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001494083224 1079321157 /nfs/dbraw/zinc/32/11/57/1079321157.db2.gz XFUNZXAFLHVLLK-QFIPXVFZSA-N 1 0 386.588 3.729 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1)C(C)C ZINC001476037634 1075072856 /nfs/dbraw/zinc/07/28/56/1075072856.db2.gz QFTMPTGUVJHKIB-SFHVURJKSA-N 1 0 376.932 3.651 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001476201732 1075102936 /nfs/dbraw/zinc/10/29/36/1075102936.db2.gz VRQQORRFOHSMKJ-GOSISDBHSA-N 1 0 379.464 3.692 20 30 GHEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001476211840 1075104173 /nfs/dbraw/zinc/10/41/73/1075104173.db2.gz VZDLFXKFWBJLLA-CYBMUJFWSA-N 1 0 389.381 3.715 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC[N@@H+]1CCc2sccc2C1 ZINC001495049617 1079378136 /nfs/dbraw/zinc/37/81/36/1079378136.db2.gz MQQAAHVXLKGZNI-CVEARBPZSA-N 1 0 386.569 3.650 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001495091234 1079382588 /nfs/dbraw/zinc/38/25/88/1079382588.db2.gz ZOSIKTNGYHMYQQ-QYZOEREBSA-N 1 0 394.567 3.834 20 30 GHEDRO CC[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001497345350 1079493004 /nfs/dbraw/zinc/49/30/04/1079493004.db2.gz MWPNZOGHALIVOO-HKUYNNGSSA-N 1 0 398.530 3.621 20 30 GHEDRO CC[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001497345362 1079493009 /nfs/dbraw/zinc/49/30/09/1079493009.db2.gz MWPNZOGHALIVOO-IEBWSBKVSA-N 1 0 398.530 3.621 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001656465875 1126257915 /nfs/dbraw/zinc/25/79/15/1126257915.db2.gz HQBMQVVFNSKIEA-VQTJNVASSA-N 1 0 392.421 3.993 20 30 GHEDRO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328603788 206231798 /nfs/dbraw/zinc/23/17/98/206231798.db2.gz HFNXGGLTNPGFAA-XMSQKQJNSA-N 1 0 389.434 3.696 20 30 GHEDRO C=CCCC[N@@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCCC1 ZINC000735412476 599475861 /nfs/dbraw/zinc/47/58/61/599475861.db2.gz CMDTVTJLISLKCY-UHFFFAOYSA-N 1 0 399.543 3.627 20 30 GHEDRO C=CC[N@@H+](CCOc1ccc(SC)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743432 599566049 /nfs/dbraw/zinc/56/60/49/599566049.db2.gz JMGRKVAOAKKGCD-UHFFFAOYSA-N 1 0 381.505 3.656 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)ccc1OC ZINC000823877693 607703835 /nfs/dbraw/zinc/70/38/35/607703835.db2.gz CZOUFUKEVGMUHI-UHFFFAOYSA-N 1 0 391.475 3.609 20 30 GHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC(F)F)c(F)c1 ZINC000823914198 608631300 /nfs/dbraw/zinc/63/13/00/608631300.db2.gz DCMSBRGUIMPRCO-UHFFFAOYSA-N 1 0 389.381 3.795 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164414402 718880708 /nfs/dbraw/zinc/88/07/08/718880708.db2.gz SMJFHKXCRPXGRT-GFCCVEGCSA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)cc(Cl)n1 ZINC001164621378 719045700 /nfs/dbraw/zinc/04/57/00/719045700.db2.gz IZPJOSGEKTXWJE-PKOBYXMFSA-N 1 0 388.849 3.735 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731599 720476114 /nfs/dbraw/zinc/47/61/14/720476114.db2.gz WSBMMOLHWFCHHR-RTWAWAEBSA-N 1 0 376.580 3.559 20 30 GHEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001164734056 720543902 /nfs/dbraw/zinc/54/39/02/720543902.db2.gz GUWMBFQZMBVQCM-CQSZACIVSA-N 1 0 398.885 3.668 20 30 GHEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)cc1C#N ZINC001164734327 720545663 /nfs/dbraw/zinc/54/56/63/720545663.db2.gz HYMPDCCQRMJXGN-AWEZNQCLSA-N 1 0 398.885 3.668 20 30 GHEDRO Cc1cc(C#N)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836419 720722455 /nfs/dbraw/zinc/72/24/55/720722455.db2.gz AFNHQCCUZUWXKE-NRFANRHFSA-N 1 0 376.504 3.522 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(Cl)c(C#N)n3)C[C@@H]21 ZINC001165026627 721802874 /nfs/dbraw/zinc/80/28/74/721802874.db2.gz RQBIJAQNWBXMAT-RIFZZMRRSA-N 1 0 381.911 3.739 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc2c(c1)OCCO2 ZINC000180644554 837420935 /nfs/dbraw/zinc/42/09/35/837420935.db2.gz ZVWWUBKRVICJOW-CXAGYDPISA-N 1 0 383.448 3.607 20 30 GHEDRO C[N@H+](Cc1cnc2c(C#N)cnn2c1)CC1(c2ccc(Br)cc2)CC1 ZINC000581311269 837494269 /nfs/dbraw/zinc/49/42/69/837494269.db2.gz UDSFFUHCXBBJTE-UHFFFAOYSA-N 1 0 396.292 3.527 20 30 GHEDRO C[NH+](C)CCCOc1cccc(NC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000581361366 837504426 /nfs/dbraw/zinc/50/44/26/837504426.db2.gz YDCWAPVSWRZGPV-UHFFFAOYSA-N 1 0 378.520 3.970 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000173272476 837675033 /nfs/dbraw/zinc/67/50/33/837675033.db2.gz HFGMLFXMMNXYBC-UHFFFAOYSA-N 1 0 395.528 3.543 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3ccc(O)cc3CC1)CCCC2 ZINC000608866717 837689429 /nfs/dbraw/zinc/68/94/29/837689429.db2.gz WOVBCIBJHQYXSR-UHFFFAOYSA-N 1 0 395.528 3.634 20 30 GHEDRO O=C(C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 ZINC000177047514 837730903 /nfs/dbraw/zinc/73/09/03/837730903.db2.gz FTORUMCDKYVRNM-UHFFFAOYSA-N 1 0 378.903 3.993 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000329147911 834458895 /nfs/dbraw/zinc/45/88/95/834458895.db2.gz BBAHOXVBQJWSCB-MJGOQNOKSA-N 1 0 387.524 3.601 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000278760469 834535310 /nfs/dbraw/zinc/53/53/10/834535310.db2.gz OPCNTMLWSQPWCH-QFIPXVFZSA-N 1 0 397.544 3.593 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262334417 834535780 /nfs/dbraw/zinc/53/57/80/834535780.db2.gz BOULBFRGZCRTQM-ZCNNSNEGSA-N 1 0 396.535 3.909 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2F)CC1 ZINC000728257111 837782471 /nfs/dbraw/zinc/78/24/71/837782471.db2.gz JGYVTUQCRKQPMP-UHFFFAOYSA-N 1 0 394.494 3.799 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000161708209 834622546 /nfs/dbraw/zinc/62/25/46/834622546.db2.gz HCEFURPEYAHBPG-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO COCCOC[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093755532 834703052 /nfs/dbraw/zinc/70/30/52/834703052.db2.gz QLPKRNWNDILFIH-FQEVSTJZSA-N 1 0 380.488 3.622 20 30 GHEDRO COc1ccc(OC)c([C@H](C)NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000329292008 834776916 /nfs/dbraw/zinc/77/69/16/834776916.db2.gz NPFGFVRBHHLDKR-IRXDYDNUSA-N 1 0 375.513 3.629 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246047219 834790278 /nfs/dbraw/zinc/79/02/78/834790278.db2.gz PPYYIUHNFPIKJF-GHTZIAJQSA-N 1 0 398.551 3.695 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cnc1N1CCCC[C@H]1C ZINC000329403117 834982911 /nfs/dbraw/zinc/98/29/11/834982911.db2.gz YRGCKTIZSXRVGT-QUCCMNQESA-N 1 0 385.556 3.875 20 30 GHEDRO [NH2+]=C(NCc1cc(Cl)ccc1OC(F)F)N[C@H]1CCOc2ccccc21 ZINC000262352416 834992434 /nfs/dbraw/zinc/99/24/34/834992434.db2.gz BISLCGMEYVMXKH-AWEZNQCLSA-N 1 0 381.810 3.870 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H](C)c2cccnc2)c1C#N ZINC000611932077 835068998 /nfs/dbraw/zinc/06/89/98/835068998.db2.gz CAQMDJWGCRMTNJ-MRXNPFEDSA-N 1 0 391.475 3.692 20 30 GHEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000583835343 835113441 /nfs/dbraw/zinc/11/34/41/835113441.db2.gz AMCWTJJXMOJUSS-UHFFFAOYSA-N 1 0 385.533 3.549 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000247136538 835120343 /nfs/dbraw/zinc/12/03/43/835120343.db2.gz RYXQUZNESVXQNB-WOJBJXKFSA-N 1 0 397.592 3.564 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892406938 835170710 /nfs/dbraw/zinc/17/07/10/835170710.db2.gz SEEMPPPRCNVEEV-OAQYLSRUSA-N 1 0 383.540 3.512 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000611967383 835183083 /nfs/dbraw/zinc/18/30/83/835183083.db2.gz GCLCVYLNFSYDQE-AWEZNQCLSA-N 1 0 394.450 3.553 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000282425750 835201046 /nfs/dbraw/zinc/20/10/46/835201046.db2.gz YFWNRRMUCMXQBG-AEFFLSMTSA-N 1 0 398.942 3.633 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157575124 835247838 /nfs/dbraw/zinc/24/78/38/835247838.db2.gz UEKHKBNNAKKQSA-RBUKOAKNSA-N 1 0 383.536 3.829 20 30 GHEDRO Cn1cc(-c2ccccc2C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000433335914 844033506 /nfs/dbraw/zinc/03/35/06/844033506.db2.gz RRJSMMLQAVGVIR-UHFFFAOYSA-N 1 0 397.486 3.549 20 30 GHEDRO C=C(C)[C@H](NCC(=O)Nc1cc(OC)cc(OC)c1)c1ccc(F)c(F)c1 ZINC000187789073 835254269 /nfs/dbraw/zinc/25/42/69/835254269.db2.gz VMWLCWWINCIQRM-FQEVSTJZSA-N 1 0 376.403 3.828 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000274787895 835270937 /nfs/dbraw/zinc/27/09/37/835270937.db2.gz BKMCMHZASLXACP-UWJYYQICSA-N 1 0 387.487 3.608 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157665939 835332157 /nfs/dbraw/zinc/33/21/57/835332157.db2.gz JFSKESWRYYTLAZ-RBUKOAKNSA-N 1 0 383.536 3.829 20 30 GHEDRO COc1ccccc1/C(C)=C\C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000254941680 835341198 /nfs/dbraw/zinc/34/11/98/835341198.db2.gz BCLAPCBCUXAPDG-SDXDJHTJSA-N 1 0 377.488 3.561 20 30 GHEDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278543733 835356371 /nfs/dbraw/zinc/35/63/71/835356371.db2.gz AJMZEXYNFJHVQH-KKSFZXQISA-N 1 0 393.466 3.600 20 30 GHEDRO Cc1ccccc1O[C@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278553682 835374107 /nfs/dbraw/zinc/37/41/07/835374107.db2.gz BSSNZBVYHNSXGH-GOSISDBHSA-N 1 0 375.476 3.724 20 30 GHEDRO Cc1cccc2c(CC[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)c[nH]c21 ZINC000278595203 835510474 /nfs/dbraw/zinc/51/04/74/835510474.db2.gz HKKJJSNQHKLDBM-UHFFFAOYSA-N 1 0 384.487 3.981 20 30 GHEDRO N#Cc1ccc(C(F)(F)n2c3ccc(F)cc3c3c2CC[NH2+]C3)nc1Cl ZINC001167083854 835570211 /nfs/dbraw/zinc/57/02/11/835570211.db2.gz CEAXNCYJLNYJKC-UHFFFAOYSA-N 1 0 376.769 3.944 20 30 GHEDRO CCC[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+]1CCOC ZINC000458796353 835585576 /nfs/dbraw/zinc/58/55/76/835585576.db2.gz DPVMCLXECDJWKT-RTWAWAEBSA-N 1 0 386.540 3.564 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)c2cc(C#N)ccc2Cl)CCOCC1)c1ccccc1 ZINC000512527728 844068896 /nfs/dbraw/zinc/06/88/96/844068896.db2.gz WZBNONMBLUOVMJ-INIZCTEOSA-N 1 0 397.906 3.841 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3OC(C)=O)n2)cc1 ZINC001211728876 844070601 /nfs/dbraw/zinc/07/06/01/844070601.db2.gz OXFOTOBPILQLIL-OALUTQOASA-N 1 0 387.480 3.704 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)cc1 ZINC000279944821 844074973 /nfs/dbraw/zinc/07/49/73/844074973.db2.gz NYSDNROWEDBGJL-UHFFFAOYSA-N 1 0 391.515 3.844 20 30 GHEDRO COC(=O)c1ccc(COc2ccc(C[NH+]3CCC(C)(C#N)CC3)cc2OC)o1 ZINC000274866115 835727910 /nfs/dbraw/zinc/72/79/10/835727910.db2.gz UMLKELNLHYYRSE-UHFFFAOYSA-N 1 0 398.459 3.779 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCC2 ZINC000278663468 835737900 /nfs/dbraw/zinc/73/79/00/835737900.db2.gz NJVBTDVYDQHRNU-PMACEKPBSA-N 1 0 379.508 3.686 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1Cl ZINC000612174702 835777311 /nfs/dbraw/zinc/77/73/11/835777311.db2.gz MGVIPCOEBFGBBU-SFHVURJKSA-N 1 0 387.842 3.833 20 30 GHEDRO C[C@H](C(=O)NCCc1cccc(C#N)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000573151629 835778127 /nfs/dbraw/zinc/77/81/27/835778127.db2.gz MAZNGRGVHGUTPI-LJQANCHMSA-N 1 0 375.516 3.560 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000188337368 835792036 /nfs/dbraw/zinc/79/20/36/835792036.db2.gz JAOFUOZRZCCIHA-UHFFFAOYSA-N 1 0 377.488 3.949 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC[C@@H]3CCCO3)sc2C1 ZINC000467162579 835792632 /nfs/dbraw/zinc/79/26/32/835792632.db2.gz YWCPTEGSAZLGPX-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)sc2c1CCCCC2 ZINC000584289649 835846854 /nfs/dbraw/zinc/84/68/54/835846854.db2.gz ZJJZYIGXTRVIBS-MAUKXSAKSA-N 1 0 387.549 3.718 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000092534595 844106387 /nfs/dbraw/zinc/10/63/87/844106387.db2.gz FRENPHVTIWDOHZ-UHFFFAOYSA-N 1 0 378.516 3.919 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000584373304 835935548 /nfs/dbraw/zinc/93/55/48/835935548.db2.gz IRKCEAVHWZEENO-OIBXWCBGSA-N 1 0 390.531 3.988 20 30 GHEDRO CC1(C)CC(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC(C)(C)[NH2+]1 ZINC000102783462 835946609 /nfs/dbraw/zinc/94/66/09/835946609.db2.gz SILULOMKLUYADS-UHFFFAOYSA-N 1 0 381.476 3.769 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000177155470 836085053 /nfs/dbraw/zinc/08/50/53/836085053.db2.gz NMHLBMAGDGVVMO-OAQYLSRUSA-N 1 0 389.455 3.716 20 30 GHEDRO N#Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000547762609 836175689 /nfs/dbraw/zinc/17/56/89/836175689.db2.gz YVFIZYMZLJKIRV-HDICACEKSA-N 1 0 380.879 3.807 20 30 GHEDRO C=CC(C)(C)CC(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001143464525 836206752 /nfs/dbraw/zinc/20/67/52/836206752.db2.gz IZPZXJSISKNERI-UHFFFAOYSA-N 1 0 392.547 3.987 20 30 GHEDRO Cn1c(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)nc2cc(Cl)ccc21 ZINC000275109657 836236018 /nfs/dbraw/zinc/23/60/18/836236018.db2.gz HBKNPSUMYKNBMK-UHFFFAOYSA-N 1 0 393.922 3.853 20 30 GHEDRO COc1ccc2oc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c(C)c2c1 ZINC000065930990 836256069 /nfs/dbraw/zinc/25/60/69/836256069.db2.gz OCQNPNUDRKPQSP-UHFFFAOYSA-N 1 0 391.471 3.826 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(CC(C)C)c2-c2ccccc2)CC1 ZINC000429979848 844145574 /nfs/dbraw/zinc/14/55/74/844145574.db2.gz LMLROHBTSBRDRH-UHFFFAOYSA-N 1 0 380.536 3.976 20 30 GHEDRO C[C@@](O)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000155071082 836346389 /nfs/dbraw/zinc/34/63/89/836346389.db2.gz BRRWXSCUGUHVPB-JOCHJYFZSA-N 1 0 383.923 3.673 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000613429608 836378178 /nfs/dbraw/zinc/37/81/78/836378178.db2.gz YKXKWWGCYTULTC-FQEVSTJZSA-N 1 0 378.520 3.820 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000582526368 836380510 /nfs/dbraw/zinc/38/05/10/836380510.db2.gz YIWNMMKTXIBUHP-PMACEKPBSA-N 1 0 389.455 3.619 20 30 GHEDRO N#Cc1cccc(-c2noc([C@H](c3ccc4ccccc4c3)N3CC[C@H]([NH3+])C3)n2)c1 ZINC001211817898 844158229 /nfs/dbraw/zinc/15/82/29/844158229.db2.gz WXVDSKXXDFCOCN-VXKWHMMOSA-N 1 0 395.466 3.884 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000413827755 836451194 /nfs/dbraw/zinc/45/11/94/836451194.db2.gz SUCOVNNYOXTVGR-TXTKFYIRSA-N 1 0 399.579 3.705 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000175444759 836510360 /nfs/dbraw/zinc/51/03/60/836510360.db2.gz QGDUSCFCIMFGMZ-QGZVFWFLSA-N 1 0 378.398 3.718 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CC2(CCc3ccccc3)CCCC2)c1C#N ZINC000133800061 836534269 /nfs/dbraw/zinc/53/42/69/836534269.db2.gz PTDUGZWGHNHHKN-UHFFFAOYSA-N 1 0 393.535 3.955 20 30 GHEDRO N#Cc1cc(Cl)cc(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)n1 ZINC001167168968 836773382 /nfs/dbraw/zinc/77/33/82/836773382.db2.gz FCNAHHZCIOLMAY-UHFFFAOYSA-N 1 0 388.656 3.621 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C#N)c1C ZINC000247096664 836802933 /nfs/dbraw/zinc/80/29/33/836802933.db2.gz WWFYVKRTEQAEJL-HHXXYDBFSA-N 1 0 386.540 3.682 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000175576346 836896138 /nfs/dbraw/zinc/89/61/38/836896138.db2.gz PWIKPCKTYGGNNC-OAQYLSRUSA-N 1 0 398.551 3.839 20 30 GHEDRO Cn1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c(-c2ccc(C#N)cc2)n1 ZINC000180262251 836898761 /nfs/dbraw/zinc/89/87/61/836898761.db2.gz WBHMMGXCCSHZSF-HSZRJFAPSA-N 1 0 386.499 3.792 20 30 GHEDRO CC(C)(CNC(=O)c1cccc(SCC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000175588795 836901429 /nfs/dbraw/zinc/90/14/29/836901429.db2.gz VKQSXJRHPVLTQV-UHFFFAOYSA-N 1 0 379.529 3.869 20 30 GHEDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180053592 836964767 /nfs/dbraw/zinc/96/47/67/836964767.db2.gz MIXNDLOCKZLCJL-UHFFFAOYSA-N 1 0 387.487 3.987 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(SCC#N)c1 ZINC000175938623 837072281 /nfs/dbraw/zinc/07/22/81/837072281.db2.gz FGRVJVCHVAZSKW-UHFFFAOYSA-N 1 0 389.471 3.784 20 30 GHEDRO COCCOCc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000290195742 837109085 /nfs/dbraw/zinc/10/90/85/837109085.db2.gz UCZDUYJLEOWWGT-UHFFFAOYSA-N 1 0 395.503 3.596 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(SCC#N)c1)Cc1ccccc1 ZINC000175997205 837121057 /nfs/dbraw/zinc/12/10/57/837121057.db2.gz KMRUOGMYRJBLJZ-HXUWFJFHSA-N 1 0 381.545 3.985 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000645232702 844253806 /nfs/dbraw/zinc/25/38/06/844253806.db2.gz MXFPNIIGEVBOMB-MRXNPFEDSA-N 1 0 386.927 3.628 20 30 GHEDRO Cc1ccc(-n2nc(C[NH3+])c3ccccc32)cc1NC(=O)c1cccc(C#N)c1 ZINC001167698304 837290561 /nfs/dbraw/zinc/29/05/61/837290561.db2.gz XSYPNPPSWYACDA-UHFFFAOYSA-N 1 0 381.439 3.917 20 30 GHEDRO CC[NH+](CC)CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000177228741 837839502 /nfs/dbraw/zinc/83/95/02/837839502.db2.gz JTYNOERHZBEFDL-UHFFFAOYSA-N 1 0 389.503 3.952 20 30 GHEDRO Cc1ncsc1CCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001167298398 837867651 /nfs/dbraw/zinc/86/76/51/837867651.db2.gz OHNZSJMEXFWCRS-UHFFFAOYSA-N 1 0 377.517 3.626 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C#N)c1C ZINC000177172203 837895468 /nfs/dbraw/zinc/89/54/68/837895468.db2.gz NQVRHFZTLFSJAN-YJBOKZPZSA-N 1 0 388.581 3.762 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c(C#N)c1C ZINC000177349830 837914650 /nfs/dbraw/zinc/91/46/50/837914650.db2.gz IAUXHDHGRGILSU-HXUWFJFHSA-N 1 0 397.544 3.937 20 30 GHEDRO N#Cc1ccc(OCCCN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000376541146 837949879 /nfs/dbraw/zinc/94/98/79/837949879.db2.gz MVXAAGCTPULMKA-RTBURBONSA-N 1 0 382.464 3.789 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000177538543 837974365 /nfs/dbraw/zinc/97/43/65/837974365.db2.gz ATRKBWGSAJOAFY-SFTDATJTSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000782861851 838001723 /nfs/dbraw/zinc/00/17/23/838001723.db2.gz PBBNAZZAMNETGF-UHFFFAOYSA-N 1 0 398.492 3.714 20 30 GHEDRO C[C@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000415705359 838006337 /nfs/dbraw/zinc/00/63/37/838006337.db2.gz TXKUPIBCLREDIJ-YJBOKZPZSA-N 1 0 394.523 3.633 20 30 GHEDRO C[C@@H](c1nnc(SCCOCCC#N)n1-c1ccccc1)N1CCCCC1 ZINC000549340788 838015589 /nfs/dbraw/zinc/01/55/89/838015589.db2.gz ZZHYYKXJMLKBRM-KRWDZBQOSA-N 1 0 385.537 3.837 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000472875845 838028339 /nfs/dbraw/zinc/02/83/39/838028339.db2.gz NVEUSUMQSDYPLY-UHFFFAOYSA-N 1 0 391.515 3.709 20 30 GHEDRO N#CCc1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c(Cl)c1 ZINC000415791384 838117729 /nfs/dbraw/zinc/11/77/29/838117729.db2.gz UUHYHGJMIBIOLM-FUHWJXTLSA-N 1 0 386.858 3.894 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415805430 838132200 /nfs/dbraw/zinc/13/22/00/838132200.db2.gz NGWAJXKOZLFAHW-TZMCWYRMSA-N 1 0 382.302 3.653 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2CCOC3(CCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000893115719 838147540 /nfs/dbraw/zinc/14/75/40/838147540.db2.gz QJFYDUDBJLJIHR-HXUWFJFHSA-N 1 0 382.504 3.685 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000330164125 838170338 /nfs/dbraw/zinc/17/03/38/838170338.db2.gz VTAHPGFGWSVIFW-AWEZNQCLSA-N 1 0 390.434 3.942 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)CC1 ZINC000533723856 838209340 /nfs/dbraw/zinc/20/93/40/838209340.db2.gz UYLHVJZYAMOTEQ-FQEVSTJZSA-N 1 0 395.551 3.559 20 30 GHEDRO CC1(NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000659307038 838241984 /nfs/dbraw/zinc/24/19/84/838241984.db2.gz JJENIIWYUMIJEJ-UHFFFAOYSA-N 1 0 386.311 3.848 20 30 GHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000580008317 838311932 /nfs/dbraw/zinc/31/19/32/838311932.db2.gz DJQLEJHCIRWSEW-UHFFFAOYSA-N 1 0 399.514 3.637 20 30 GHEDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728269298 838363753 /nfs/dbraw/zinc/36/37/53/838363753.db2.gz GZWAMUCRYGVUEG-SJORKVTESA-N 1 0 378.520 3.816 20 30 GHEDRO C#Cc1cccc(N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001125842811 838398528 /nfs/dbraw/zinc/39/85/28/838398528.db2.gz MNSTXOFOJAJYCH-LOSJGSFVSA-N 1 0 395.506 3.942 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)cc1F ZINC000613579960 838415130 /nfs/dbraw/zinc/41/51/30/838415130.db2.gz BPURLRXLVDZKFH-OAQYLSRUSA-N 1 0 382.483 3.653 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000609293459 838423049 /nfs/dbraw/zinc/42/30/49/838423049.db2.gz JEFKYWFBLSXINE-UHFFFAOYSA-N 1 0 377.448 3.517 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000376739612 838678647 /nfs/dbraw/zinc/67/86/47/838678647.db2.gz KGJWSVNRGOAOGI-UHFFFAOYSA-N 1 0 393.878 3.885 20 30 GHEDRO CCN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000118880641 838753009 /nfs/dbraw/zinc/75/30/09/838753009.db2.gz VKZJPHJFAVSLPR-IBGZPJMESA-N 1 0 390.531 3.529 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(Cl)c(F)c1 ZINC001125871045 838778163 /nfs/dbraw/zinc/77/81/63/838778163.db2.gz VAQTWMUFINSXBP-UHFFFAOYSA-N 1 0 387.886 3.874 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000419369444 844371442 /nfs/dbraw/zinc/37/14/42/844371442.db2.gz HTPRZUURMXMNIF-RTBURBONSA-N 1 0 387.405 3.641 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)c2)c1 ZINC000378366736 838953368 /nfs/dbraw/zinc/95/33/68/838953368.db2.gz BOTIOOCJNJSIKC-GGAORHGYSA-N 1 0 389.499 3.628 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610407070 839121540 /nfs/dbraw/zinc/12/15/40/839121540.db2.gz PDCTURUWXCJYCR-XMSQKQJNSA-N 1 0 391.519 3.710 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000580249507 839125342 /nfs/dbraw/zinc/12/53/42/839125342.db2.gz HHINZBZVLNWEHK-AWEZNQCLSA-N 1 0 385.346 3.841 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415082327 839177609 /nfs/dbraw/zinc/17/76/09/839177609.db2.gz LOTPSHNXJBJXFB-GJZGRUSLSA-N 1 0 380.448 3.573 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c(OC)c1 ZINC000124747554 839183206 /nfs/dbraw/zinc/18/32/06/839183206.db2.gz JWELYZGFHVHEAK-YESZJQIVSA-N 1 0 387.442 3.874 20 30 GHEDRO N#CC1(NC(=O)/C=C/c2ccnc3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000378483413 839206361 /nfs/dbraw/zinc/20/63/61/839206361.db2.gz PJFSKMILSQPNLU-ZHACJKMWSA-N 1 0 396.494 3.923 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCC(=O)NC2(C)C)cc1 ZINC000328713511 839311034 /nfs/dbraw/zinc/31/10/34/839311034.db2.gz CAUYHSVBAVGDOS-APWZRJJASA-N 1 0 386.540 3.962 20 30 GHEDRO C[C@@H](CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000610434521 839377491 /nfs/dbraw/zinc/37/74/91/839377491.db2.gz BNGMUSSKEPEQBJ-WMZHIEFXSA-N 1 0 390.531 3.554 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c(C(F)(F)F)c1 ZINC000580372671 839409131 /nfs/dbraw/zinc/40/91/31/839409131.db2.gz YVTPOAIFHWYNSA-UHFFFAOYSA-N 1 0 389.425 3.884 20 30 GHEDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415237973 839455659 /nfs/dbraw/zinc/45/56/59/839455659.db2.gz KLAHXXCVDHIBCF-IBGZPJMESA-N 1 0 382.439 3.999 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000328728176 839526971 /nfs/dbraw/zinc/52/69/71/839526971.db2.gz DQORANYIQYLHHX-APWZRJJASA-N 1 0 386.540 3.820 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000610446365 839750583 /nfs/dbraw/zinc/75/05/83/839750583.db2.gz UYZXTAHTZIMXSS-IBGZPJMESA-N 1 0 393.556 3.914 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000583819103 839779549 /nfs/dbraw/zinc/77/95/49/839779549.db2.gz MBKNVGBYHSAXHL-FQEVSTJZSA-N 1 0 390.531 3.608 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)F ZINC000415515192 839889193 /nfs/dbraw/zinc/88/91/93/839889193.db2.gz HRDPMYFFQJNWDF-VHSXEESVSA-N 1 0 393.278 3.591 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000377668115 839923041 /nfs/dbraw/zinc/92/30/41/839923041.db2.gz KOIMOAMKYTUDCR-FUHWJXTLSA-N 1 0 388.924 3.637 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000610452007 839995876 /nfs/dbraw/zinc/99/58/76/839995876.db2.gz QNPWSHNOBOLPMI-NRFANRHFSA-N 1 0 390.531 3.530 20 30 GHEDRO [NH2+]=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccccc1OC(F)(F)F ZINC000160604795 840039573 /nfs/dbraw/zinc/03/95/73/840039573.db2.gz NUEVFGCLSSYLGP-AWEZNQCLSA-N 1 0 382.386 3.742 20 30 GHEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000510345333 840117174 /nfs/dbraw/zinc/11/71/74/840117174.db2.gz ZEUWRYZRPYVMNM-UHFFFAOYSA-N 1 0 382.552 3.992 20 30 GHEDRO C=C(C)C[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1cnn(C(C)C)c1 ZINC000512551767 844506335 /nfs/dbraw/zinc/50/63/35/844506335.db2.gz GMQLJZXLYNUYEW-UHFFFAOYSA-N 1 0 380.536 3.817 20 30 GHEDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)c1 ZINC000432894505 844509299 /nfs/dbraw/zinc/50/92/99/844509299.db2.gz WMWKSIJYQYOUOK-UHFFFAOYSA-N 1 0 379.460 3.569 20 30 GHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000580815835 840240271 /nfs/dbraw/zinc/24/02/71/840240271.db2.gz LZJLBZOCVJLYDA-UHFFFAOYSA-N 1 0 392.507 3.707 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cc4ccccc4o3)CC2)cc1 ZINC000024612510 840272074 /nfs/dbraw/zinc/27/20/74/840272074.db2.gz SZTHCGWWRNIRHO-UHFFFAOYSA-N 1 0 387.483 3.972 20 30 GHEDRO Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC000417127799 840487223 /nfs/dbraw/zinc/48/72/23/840487223.db2.gz GYKCDGQCNLPAAL-IBGZPJMESA-N 1 0 391.519 3.576 20 30 GHEDRO N#Cc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(Cl)c1 ZINC000581008086 840588018 /nfs/dbraw/zinc/58/80/18/840588018.db2.gz FNFFKUVGGRYWOH-FXAWDEMLSA-N 1 0 380.879 3.950 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000584710592 840634012 /nfs/dbraw/zinc/63/40/12/840634012.db2.gz FHHAZNQXUPBYTO-WIYYLYMNSA-N 1 0 379.552 3.906 20 30 GHEDRO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1C ZINC000511765898 840691915 /nfs/dbraw/zinc/69/19/15/840691915.db2.gz XZECGVGAWSHHOP-VJBWXMMDSA-N 1 0 378.516 3.978 20 30 GHEDRO C[C@H](C[N@@H+]([C@@H](C)CO)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000581209521 840853745 /nfs/dbraw/zinc/85/37/45/840853745.db2.gz WABZVGMASZRYNW-MSYCTHLASA-N 1 0 391.515 3.540 20 30 GHEDRO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156932147 840916666 /nfs/dbraw/zinc/91/66/66/840916666.db2.gz UWRPZWKLWBBNDE-XXBNENTESA-N 1 0 390.531 3.872 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418567439 840925420 /nfs/dbraw/zinc/92/54/20/840925420.db2.gz WYOCHMRMSDRMKR-UNMCSNQZSA-N 1 0 397.494 3.678 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cn1 ZINC000610490047 840944032 /nfs/dbraw/zinc/94/40/32/840944032.db2.gz PHOGCEDRLWQFSO-UHFFFAOYSA-N 1 0 391.500 3.720 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2Cc3ccc(C)c(Br)c3C2)CC1 ZINC000660597197 840979309 /nfs/dbraw/zinc/97/93/09/840979309.db2.gz MQTOPDIIUTUXFP-UHFFFAOYSA-N 1 0 392.341 3.823 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000584835182 841021670 /nfs/dbraw/zinc/02/16/70/841021670.db2.gz SNRXHMUQIGDIBZ-PKOBYXMFSA-N 1 0 388.920 3.911 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000277096732 844618795 /nfs/dbraw/zinc/61/87/95/844618795.db2.gz GFVOWNWPKKAUSZ-GOSISDBHSA-N 1 0 399.514 3.632 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C(=O)Nc3ccccc3C#N)c2)CC1 ZINC000125031516 841186724 /nfs/dbraw/zinc/18/67/24/841186724.db2.gz AMXSNMMFNCHZAS-GOSISDBHSA-N 1 0 391.519 3.528 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156186413 841256640 /nfs/dbraw/zinc/25/66/40/841256640.db2.gz INCZAGZMGGNGHJ-XMSQKQJNSA-N 1 0 376.504 3.753 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000933248629 841274610 /nfs/dbraw/zinc/27/46/10/841274610.db2.gz NYVYSLRVMCZQRU-MSOLQXFVSA-N 1 0 388.581 3.681 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000661114852 841408643 /nfs/dbraw/zinc/40/86/43/841408643.db2.gz NIODYPKYMFVUGV-DOTOQJQBSA-N 1 0 376.497 3.766 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000661117980 841421056 /nfs/dbraw/zinc/42/10/56/841421056.db2.gz VOJIDSIAOOTFDK-GOEBONIOSA-N 1 0 387.480 3.987 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCc3ccccc3NC2=O)cc1OC ZINC000623560840 861204093 /nfs/dbraw/zinc/20/40/93/861204093.db2.gz UMMOJQBYEZSMLL-SFHVURJKSA-N 1 0 386.879 3.957 20 30 GHEDRO C[C@@](Cc1ccccc1)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000599438710 861207765 /nfs/dbraw/zinc/20/77/65/861207765.db2.gz ZLATZCZOVQQBCR-PKTZIBPZSA-N 1 0 378.516 3.805 20 30 GHEDRO CC(C)C(=O)Nc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000329267489 861221135 /nfs/dbraw/zinc/22/11/35/861221135.db2.gz GKEXNZFUFKJCDB-FQEVSTJZSA-N 1 0 386.540 3.645 20 30 GHEDRO C=CC[C@]1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)CCC[NH2+]1 ZINC000662798679 841649565 /nfs/dbraw/zinc/64/95/65/841649565.db2.gz GFQABMYQMOAYOC-LJQANCHMSA-N 1 0 393.325 3.517 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000651822023 841661350 /nfs/dbraw/zinc/66/13/50/841661350.db2.gz HJEIIICLWKQMLC-DBXWQHBBSA-N 1 0 390.593 3.950 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3cc(Br)cc(C#N)c3)c2)CC1 ZINC001204565110 841676306 /nfs/dbraw/zinc/67/63/06/841676306.db2.gz UFUPAFHVCANAJK-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000157217167 841689426 /nfs/dbraw/zinc/68/94/26/841689426.db2.gz KSPPMVYAJYTXHF-OFNKIYASSA-N 1 0 389.499 3.694 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccccc1 ZINC000027480146 841718345 /nfs/dbraw/zinc/71/83/45/841718345.db2.gz CWHFNGNTOCENIX-UHFFFAOYSA-O 1 0 381.493 3.534 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610513490 841756936 /nfs/dbraw/zinc/75/69/36/841756936.db2.gz VNNXPVZORXJWCP-QGZVFWFLSA-N 1 0 379.464 3.551 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329277046 861233856 /nfs/dbraw/zinc/23/38/56/861233856.db2.gz CFPZSAPKRJODIX-KJJMTIBFSA-N 1 0 385.552 3.581 20 30 GHEDRO C=CCn1c(N2CCC(C[NH+]3CCCCCC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000651514356 841821534 /nfs/dbraw/zinc/82/15/34/841821534.db2.gz HWBKAQCHMYATFU-JOCHJYFZSA-N 1 0 387.572 3.582 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000651516018 841834423 /nfs/dbraw/zinc/83/44/23/841834423.db2.gz GGLPUKRJRQIQJJ-HXUWFJFHSA-N 1 0 387.572 3.798 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000329281125 861244267 /nfs/dbraw/zinc/24/42/67/861244267.db2.gz KOURJZCTBBKXKS-HZPDHXFCSA-N 1 0 399.470 3.857 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595269527 841875619 /nfs/dbraw/zinc/87/56/19/841875619.db2.gz CBUBXDLZYYAQAG-KAOXLYBCSA-N 1 0 388.515 3.613 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000610522842 841926131 /nfs/dbraw/zinc/92/61/31/841926131.db2.gz BCCMYVARAHQGKG-RXVVDRJESA-N 1 0 386.499 3.805 20 30 GHEDRO CNC(=O)c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000066905501 842084404 /nfs/dbraw/zinc/08/44/04/842084404.db2.gz ONEVKBZJQOFGFY-UHFFFAOYSA-N 1 0 385.467 3.787 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(Cl)c3F)CC2)cc1 ZINC000581755089 842149288 /nfs/dbraw/zinc/14/92/88/842149288.db2.gz VDXUUOLXNSURSL-UHFFFAOYSA-N 1 0 385.870 3.628 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000106577136 842155882 /nfs/dbraw/zinc/15/58/82/842155882.db2.gz BJCARUGMXCVECF-QFIPXVFZSA-N 1 0 392.478 3.602 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000278935018 842184116 /nfs/dbraw/zinc/18/41/16/842184116.db2.gz CNLOWHWXPUZKGU-PKOBYXMFSA-N 1 0 392.503 3.940 20 30 GHEDRO N#CCCC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000581819618 842227726 /nfs/dbraw/zinc/22/77/26/842227726.db2.gz YKTUEDITEBVWBI-UHFFFAOYSA-N 1 0 382.277 3.933 20 30 GHEDRO CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121462599 842229484 /nfs/dbraw/zinc/22/94/84/842229484.db2.gz RWLZFRIZLNCHDA-INIZCTEOSA-N 1 0 376.302 3.642 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](CCCCC(C)(C)C#N)CC2)C1 ZINC000933462664 842239625 /nfs/dbraw/zinc/23/96/25/842239625.db2.gz DNXYOJQLURKTDY-UHFFFAOYSA-N 1 0 379.545 3.808 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661874756 842263499 /nfs/dbraw/zinc/26/34/99/842263499.db2.gz KFXHJAUHBYHOMK-CMKODMSKSA-N 1 0 376.566 3.932 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@]4(C3)CCCOC4)sc2C1 ZINC000585756200 842264719 /nfs/dbraw/zinc/26/47/19/842264719.db2.gz LLPJEKLQMXRJMA-YCRPNKLZSA-N 1 0 387.549 3.576 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N(C)Cc2cc(C#N)cs2)[NH+]2CCCC2)c1 ZINC000891553226 842304630 /nfs/dbraw/zinc/30/46/30/842304630.db2.gz QQFDVAVKIFJTHV-FQEVSTJZSA-N 1 0 398.532 3.607 20 30 GHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000159156106 842319450 /nfs/dbraw/zinc/31/94/50/842319450.db2.gz VMTGBGWMJZNYPC-LJQANCHMSA-N 1 0 390.871 3.592 20 30 GHEDRO CC1(C)CC(NC(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)CC(C)(C)[NH2+]1 ZINC000329335432 861297668 /nfs/dbraw/zinc/29/76/68/861297668.db2.gz LFOPCZRHFGXTAH-KRWDZBQOSA-N 1 0 396.539 3.832 20 30 GHEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000329334271 861297766 /nfs/dbraw/zinc/29/77/66/861297766.db2.gz KRQOIOFCXKPARV-CRAIPNDOSA-N 1 0 383.496 3.875 20 30 GHEDRO Cc1ncc(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c(C2CC2)n1 ZINC000329338112 861300177 /nfs/dbraw/zinc/30/01/77/861300177.db2.gz QFZRWZSWIVVXRZ-UHFFFAOYSA-N 1 0 386.540 3.781 20 30 GHEDRO CN(C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329354396 861319445 /nfs/dbraw/zinc/31/94/45/861319445.db2.gz GKGBSKKGOBMWKY-SOAGJPPSSA-N 1 0 375.557 3.635 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1n1ccnc1 ZINC000156471628 842660528 /nfs/dbraw/zinc/66/05/28/842660528.db2.gz GFMFFBFTDPYOCY-UTKZUKDTSA-N 1 0 375.476 3.517 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCOCC1 ZINC000599414744 842727661 /nfs/dbraw/zinc/72/76/61/842727661.db2.gz HPJXTTNQPQFRRR-WMZOPIPTSA-N 1 0 398.425 3.697 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1C#N ZINC000028347593 861352498 /nfs/dbraw/zinc/35/24/98/861352498.db2.gz FTAMFYQVRBWDDN-HUUCEWRRSA-N 1 0 376.460 3.585 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1cccc(SCC#N)c1)[NH+]1CCCC1 ZINC000430766967 842953584 /nfs/dbraw/zinc/95/35/84/842953584.db2.gz INPWUCQSKHOPTK-FQEVSTJZSA-N 1 0 395.528 3.878 20 30 GHEDRO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000510579235 842995032 /nfs/dbraw/zinc/99/50/32/842995032.db2.gz NHUYYCUIKJKGLN-YADHBBJMSA-N 1 0 382.552 3.990 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590597 861372864 /nfs/dbraw/zinc/37/28/64/861372864.db2.gz QEAHCMQMWWXHMS-OXJNMPFZSA-N 1 0 394.519 3.758 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024665448 843056008 /nfs/dbraw/zinc/05/60/08/843056008.db2.gz RCWCLVXJULYSKO-HNNXBMFYSA-N 1 0 380.473 3.969 20 30 GHEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000161693215 843122987 /nfs/dbraw/zinc/12/29/87/843122987.db2.gz FINROAZAUKGWSU-GOSISDBHSA-N 1 0 391.519 3.546 20 30 GHEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000481450752 861387599 /nfs/dbraw/zinc/38/75/99/861387599.db2.gz YAJZMELYMDRYHN-YVEFUNNKSA-N 1 0 377.897 3.968 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000430918114 843178122 /nfs/dbraw/zinc/17/81/22/843178122.db2.gz LZVBMCJOYXIFRO-QFIPXVFZSA-N 1 0 377.488 3.611 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NCc3ccnc(N4CCCCCC4)c3)CC2)c1 ZINC000510682580 843187707 /nfs/dbraw/zinc/18/77/07/843187707.db2.gz OQBCWDDNKVNDJC-UHFFFAOYSA-N 1 0 392.478 3.821 20 30 GHEDRO CCC[C@@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCOC1 ZINC000512277098 843301424 /nfs/dbraw/zinc/30/14/24/843301424.db2.gz NAAWZXVAFBLMIG-JOCHJYFZSA-N 1 0 398.482 3.592 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)cc1F ZINC000512296233 843339371 /nfs/dbraw/zinc/33/93/71/843339371.db2.gz PFNHDJTUUKOQFG-DYVFJYSZSA-N 1 0 379.414 3.761 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000510731826 843362557 /nfs/dbraw/zinc/36/25/57/843362557.db2.gz GOHVLWAAKVZXMZ-INIZCTEOSA-N 1 0 378.476 3.525 20 30 GHEDRO CO/N=C/c1ccc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1 ZINC000279837441 843416760 /nfs/dbraw/zinc/41/67/60/843416760.db2.gz FJJJHWFFHVWRHD-LFVJCYFKSA-N 1 0 394.519 3.697 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000162934842 843470837 /nfs/dbraw/zinc/47/08/37/843470837.db2.gz DESKWNHDYSMERI-ZWKOTPCHSA-N 1 0 392.499 3.768 20 30 GHEDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632243 861422090 /nfs/dbraw/zinc/42/20/90/861422090.db2.gz XSOPIPSOCJYORI-QGZVFWFLSA-N 1 0 395.478 3.512 20 30 GHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000418649673 843502371 /nfs/dbraw/zinc/50/23/71/843502371.db2.gz JLCGBNUJNFCHOH-BDTNDASRSA-N 1 0 376.504 3.730 20 30 GHEDRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632639 861425432 /nfs/dbraw/zinc/42/54/32/861425432.db2.gz IMWISRPEMLGERX-UHFFFAOYSA-N 1 0 391.515 3.591 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000330324430 843681531 /nfs/dbraw/zinc/68/15/31/843681531.db2.gz ILOKQXLCKYQHKC-VQTJNVASSA-N 1 0 385.552 3.581 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000431150881 843706988 /nfs/dbraw/zinc/70/69/88/843706988.db2.gz PTCNUMQHRJTXRB-UHFFFAOYSA-N 1 0 381.524 3.721 20 30 GHEDRO C=C(C)C[N@H+](CCOc1ccc(Br)cc1)Cc1ccc(CO)o1 ZINC000512415452 843733201 /nfs/dbraw/zinc/73/32/01/843733201.db2.gz MNHNYPRRJOLOAJ-UHFFFAOYSA-N 1 0 380.282 3.992 20 30 GHEDRO Cc1cc(-c2noc([C@@H](c3cc4ccccc4[nH]3)N3CC[C@H]([NH3+])C3)n2)ccc1C#N ZINC001211812169 843826933 /nfs/dbraw/zinc/82/69/33/843826933.db2.gz XTHXZXFXLOTPPE-GHTZIAJQSA-N 1 0 398.470 3.520 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000429884446 843839556 /nfs/dbraw/zinc/83/95/56/843839556.db2.gz KHFYOXWUJOMQHX-MRXNPFEDSA-N 1 0 379.382 3.983 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000512451401 843841426 /nfs/dbraw/zinc/84/14/26/843841426.db2.gz ZFGSTUVXXYEEQF-CQSZACIVSA-N 1 0 387.867 3.702 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000599677840 861466214 /nfs/dbraw/zinc/46/62/14/861466214.db2.gz PGMQXWXJXBVKIX-UHFFFAOYSA-N 1 0 378.863 3.665 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000512847712 843880315 /nfs/dbraw/zinc/88/03/15/843880315.db2.gz ZAWBVXGUAAHKJI-UHFFFAOYSA-N 1 0 391.515 3.668 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000731112954 861473178 /nfs/dbraw/zinc/47/31/78/861473178.db2.gz GJMVHXWRLXBFGW-JOCHJYFZSA-N 1 0 393.487 3.666 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000731113208 861473814 /nfs/dbraw/zinc/47/38/14/861473814.db2.gz MBJMYPCYNXFYET-OAQYLSRUSA-N 1 0 393.487 3.666 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303164 843963455 /nfs/dbraw/zinc/96/34/55/843963455.db2.gz UOJGWSABJYPVEV-UHFFFAOYSA-N 1 0 393.556 3.820 20 30 GHEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000610813986 844648496 /nfs/dbraw/zinc/64/84/96/844648496.db2.gz YBRMCSDLUZNARK-NSHDSACASA-N 1 0 375.366 3.528 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000171101335 861485511 /nfs/dbraw/zinc/48/55/11/861485511.db2.gz SUXKTYLERKNPJO-UHFFFAOYSA-N 1 0 381.451 3.817 20 30 GHEDRO C=CCc1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000065175130 844730752 /nfs/dbraw/zinc/73/07/52/844730752.db2.gz SJYVZJNRCPYZQN-OAQYLSRUSA-N 1 0 394.515 3.713 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329470325 861492218 /nfs/dbraw/zinc/49/22/18/861492218.db2.gz YTVCTKOEPLGSHT-GOSISDBHSA-N 1 0 375.538 3.728 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)/C=C\c3ccccc3C#N)CCCCC2)CCO1 ZINC000731171754 861499477 /nfs/dbraw/zinc/49/94/77/861499477.db2.gz KEMNOFWTZWJIAG-KHPPLWFESA-N 1 0 381.520 3.501 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000151138523 844865171 /nfs/dbraw/zinc/86/51/71/844865171.db2.gz RTXSNALSHQOZPN-LBPRGKRZSA-N 1 0 390.256 3.967 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000512646808 844874287 /nfs/dbraw/zinc/87/42/87/844874287.db2.gz DHTQNCIMCRGFBQ-YWZLYKJASA-N 1 0 383.467 3.966 20 30 GHEDRO Cc1cccc(N2CCN(C(=O)C[NH2+][C@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000433019319 844970504 /nfs/dbraw/zinc/97/05/04/844970504.db2.gz MUKLNYXTXYNMKV-HSZRJFAPSA-N 1 0 390.531 3.668 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000610987306 844994085 /nfs/dbraw/zinc/99/40/85/844994085.db2.gz YLZTTWKRZGVDOC-FCHUYYIVSA-N 1 0 376.504 3.947 20 30 GHEDRO C[C@@H](OC[C@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC000599686701 861530446 /nfs/dbraw/zinc/53/04/46/861530446.db2.gz WAWRKRJVJSGXQE-IIBYNOLFSA-N 1 0 384.907 3.903 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000513253941 845151324 /nfs/dbraw/zinc/15/13/24/845151324.db2.gz GCVHOWVOBWDWCI-JOCHJYFZSA-N 1 0 391.515 3.888 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000329508937 861557928 /nfs/dbraw/zinc/55/79/28/861557928.db2.gz XCHMAMDDTASGJK-FPOVZHCZSA-N 1 0 381.524 3.526 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000119483100 845395407 /nfs/dbraw/zinc/39/54/07/845395407.db2.gz RCCCBEIDKRBMKU-YADHBBJMSA-N 1 0 389.499 3.694 20 30 GHEDRO CC(C)N(C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C(C)C ZINC000512802699 845566073 /nfs/dbraw/zinc/56/60/73/845566073.db2.gz WCILMRPVGVSYLK-INIZCTEOSA-N 1 0 375.488 3.574 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000513573681 845699670 /nfs/dbraw/zinc/69/96/70/845699670.db2.gz RMGCGISWRZCJNR-OAHLLOKOSA-N 1 0 396.800 3.658 20 30 GHEDRO C[C@@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2ccccc2)o1 ZINC000255456855 845710477 /nfs/dbraw/zinc/71/04/77/845710477.db2.gz FMNCYIUQIDOTNH-MRXNPFEDSA-N 1 0 378.432 3.685 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000277377727 845884789 /nfs/dbraw/zinc/88/47/89/845884789.db2.gz WCNGIUZFWYVPBJ-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1noc([C@@H]2CCCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000329543896 861626846 /nfs/dbraw/zinc/62/68/46/861626846.db2.gz ODZDYUGXIXDDHU-SFHVURJKSA-N 1 0 375.517 3.616 20 30 GHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1ccc(C#N)cc1 ZINC000728462387 846055731 /nfs/dbraw/zinc/05/57/31/846055731.db2.gz OAGDKTVXNJGSRR-TZIWHRDSSA-N 1 0 377.513 3.793 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000502634482 846277020 /nfs/dbraw/zinc/27/70/20/846277020.db2.gz DSZIQXFNUIHNBH-KKUMJFAQSA-N 1 0 375.538 3.620 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc(C#N)c1 ZINC000551374861 846351752 /nfs/dbraw/zinc/35/17/52/846351752.db2.gz PYGDYSJAASLDJX-WNSKOXEYSA-N 1 0 388.471 3.634 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280289291 846352812 /nfs/dbraw/zinc/35/28/12/846352812.db2.gz OPIDTJPNYKLCBG-UHFFFAOYSA-N 1 0 376.504 3.800 20 30 GHEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000582210495 846639073 /nfs/dbraw/zinc/63/90/73/846639073.db2.gz SQSAPUCOQDUXQB-QFIPXVFZSA-N 1 0 391.515 3.911 20 30 GHEDRO Cc1cc(F)cc2c1C[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000502972251 846658939 /nfs/dbraw/zinc/65/89/39/846658939.db2.gz VUVDEXWMUZQPKW-UHFFFAOYSA-N 1 0 383.492 3.943 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)NCc1nc(C#N)cs1)C1CCCCC1 ZINC000892224390 846679404 /nfs/dbraw/zinc/67/94/04/846679404.db2.gz DHPOCBFJQDFUJS-UHFFFAOYSA-N 1 0 397.548 3.779 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000501189411 846722084 /nfs/dbraw/zinc/72/20/84/846722084.db2.gz QEEZAPLFJPSOER-GCJKJVERSA-N 1 0 378.520 3.872 20 30 GHEDRO Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)C2=O)c1 ZINC000329587940 861715937 /nfs/dbraw/zinc/71/59/37/861715937.db2.gz XNUGTOALENZRQQ-MJGOQNOKSA-N 1 0 387.499 3.708 20 30 GHEDRO COc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(F)cc1C#N ZINC000599818143 861719794 /nfs/dbraw/zinc/71/97/94/861719794.db2.gz VBBNASLZDVLMEO-MRXNPFEDSA-N 1 0 388.487 3.826 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000503107354 846802599 /nfs/dbraw/zinc/80/25/99/846802599.db2.gz DHHVIGOIACRRIU-UHFFFAOYSA-N 1 0 375.561 3.674 20 30 GHEDRO COc1cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599818623 861725001 /nfs/dbraw/zinc/72/50/01/861725001.db2.gz XHUZKONZJVWBQW-KRWDZBQOSA-N 1 0 396.466 3.740 20 30 GHEDRO COc1cc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599819808 861728519 /nfs/dbraw/zinc/72/85/19/861728519.db2.gz QYELKMQBQDWITK-QGZVFWFLSA-N 1 0 396.466 3.692 20 30 GHEDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(N2CCCC2)n1 ZINC000611591833 847003312 /nfs/dbraw/zinc/00/33/12/847003312.db2.gz NJPVOAUSHBOXAD-UHFFFAOYSA-N 1 0 389.547 3.616 20 30 GHEDRO C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272237654 847026157 /nfs/dbraw/zinc/02/61/57/847026157.db2.gz FYTBZYPZHWVUJP-IEBWSBKVSA-N 1 0 378.476 3.621 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)c(C)c2c1 ZINC000582387111 847050205 /nfs/dbraw/zinc/05/02/05/847050205.db2.gz ICDJKLIZMSQQCX-WMZOPIPTSA-N 1 0 394.471 3.906 20 30 GHEDRO CCc1nccc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000934457743 847173926 /nfs/dbraw/zinc/17/39/26/847173926.db2.gz VQNZUPNNQIOHOM-UHFFFAOYSA-N 1 0 377.492 3.564 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000582449846 847271968 /nfs/dbraw/zinc/27/19/68/847271968.db2.gz UFKUUDIWCAERKJ-XLIONFOSSA-N 1 0 389.455 3.836 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000501858840 847283165 /nfs/dbraw/zinc/28/31/65/847283165.db2.gz AJYSINDVTSOJOS-SFHVURJKSA-N 1 0 377.960 3.661 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)NCc3cc4c(s3)CCCC4)CC2)cc1 ZINC000604096501 861774536 /nfs/dbraw/zinc/77/45/36/861774536.db2.gz RZXLHFULWRGUAA-UHFFFAOYSA-N 1 0 394.544 3.526 20 30 GHEDRO CCN(C(=O)COc1ccccc1C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501960717 847350112 /nfs/dbraw/zinc/35/01/12/847350112.db2.gz YGFWZELUMLKOCN-RXVVDRJESA-N 1 0 377.488 3.621 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccc(C#N)s1 ZINC000422195127 847385576 /nfs/dbraw/zinc/38/55/76/847385576.db2.gz VJLKAURYGWUSJK-HOTGVXAUSA-N 1 0 382.533 3.576 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1OC ZINC000503291803 847566391 /nfs/dbraw/zinc/56/63/91/847566391.db2.gz QGGDNYZZGWWNIB-KRWDZBQOSA-N 1 0 392.293 3.846 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](CCO)CC3)sc2C1 ZINC000421013324 847610934 /nfs/dbraw/zinc/61/09/34/847610934.db2.gz JGFQHIFSXIFMCW-HOTGVXAUSA-N 1 0 389.565 3.558 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502274808 847679269 /nfs/dbraw/zinc/67/92/69/847679269.db2.gz HRCKDHKSHGAFSA-OALUTQOASA-N 1 0 380.536 3.725 20 30 GHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000421086200 847703574 /nfs/dbraw/zinc/70/35/74/847703574.db2.gz IQSSHHNHXOIWQP-HXUWFJFHSA-N 1 0 392.503 3.890 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502317185 847726382 /nfs/dbraw/zinc/72/63/82/847726382.db2.gz AFRWVHSYCCLFSF-LJQANCHMSA-N 1 0 380.536 3.869 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2OC(F)F)sc2c1CCCC2 ZINC000503524506 847768180 /nfs/dbraw/zinc/76/81/80/847768180.db2.gz YDIATWHDWLURFU-ZIAGYGMSSA-N 1 0 383.464 3.577 20 30 GHEDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329631013 861850869 /nfs/dbraw/zinc/85/08/69/861850869.db2.gz RFXGNRUEWWXYFC-FCJDFRRUSA-N 1 0 399.579 3.828 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1OC ZINC000092784044 847978733 /nfs/dbraw/zinc/97/87/33/847978733.db2.gz UDFOWYSOXGFUQL-FQEVSTJZSA-N 1 0 394.515 3.902 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3sccc3C#N)c(C(F)(F)F)c2)CC1 ZINC000128091875 848033840 /nfs/dbraw/zinc/03/38/40/848033840.db2.gz WDWHMKPORLFBOW-UHFFFAOYSA-N 1 0 394.422 3.643 20 30 GHEDRO CC[C@H]1C[C@H](C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC(=O)N1 ZINC000329636870 861857915 /nfs/dbraw/zinc/85/79/15/861857915.db2.gz YHOSYLDLFQVKOU-ROUUACIJSA-N 1 0 384.524 3.952 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(CSc3ccc(C#N)cc3)n2)CC1 ZINC000582697788 848057454 /nfs/dbraw/zinc/05/74/54/848057454.db2.gz KWESZDFBOIBPAX-UHFFFAOYSA-N 1 0 391.500 3.652 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2cccnc2)cc1 ZINC000171208838 861868882 /nfs/dbraw/zinc/86/88/82/861868882.db2.gz SCCDTKPQZARVMW-UHFFFAOYSA-O 1 0 390.532 3.703 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000187805298 848274965 /nfs/dbraw/zinc/27/49/65/848274965.db2.gz YKNHXYHWUYKFHO-INIZCTEOSA-N 1 0 393.516 3.697 20 30 GHEDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000277886534 848329078 /nfs/dbraw/zinc/32/90/78/848329078.db2.gz VRHMEJMOPSUQTF-OXJNMPFZSA-N 1 0 375.538 3.646 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]CCCCC#N)c2ccccc2)c(C)c1 ZINC000179995400 861891745 /nfs/dbraw/zinc/89/17/45/861891745.db2.gz JBKJUKKIBHUBFK-HXUWFJFHSA-N 1 0 385.533 3.607 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)C1 ZINC000329642947 861891932 /nfs/dbraw/zinc/89/19/32/861891932.db2.gz ITLFQOQNOKPGSN-ADAARDCZSA-N 1 0 379.589 3.530 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N2C(C)(C)CC([NH3+])CC2(C)C)n1 ZINC001167625016 848509749 /nfs/dbraw/zinc/50/97/49/848509749.db2.gz PNAWWLJVIYQWDX-WAPOMMKJSA-N 1 0 378.586 3.756 20 30 GHEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000481630666 861913882 /nfs/dbraw/zinc/91/38/82/861913882.db2.gz UGAACEJLAURUKY-GOSISDBHSA-N 1 0 396.466 3.740 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2cccc(C)c2)N2CCOCC2)cc1 ZINC000237794182 848641311 /nfs/dbraw/zinc/64/13/11/848641311.db2.gz IJBYNPSMGHJWBX-DEOSSOPVSA-N 1 0 378.516 3.560 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)cc2)C1 ZINC000048828233 848663540 /nfs/dbraw/zinc/66/35/40/848663540.db2.gz QGKNPSDEGXZCFJ-SFHVURJKSA-N 1 0 376.504 3.790 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000604200300 861939360 /nfs/dbraw/zinc/93/93/60/861939360.db2.gz HEKQEBZTMKXKBK-XXBNENTESA-N 1 0 391.515 3.915 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000583071913 849017427 /nfs/dbraw/zinc/01/74/27/849017427.db2.gz CVWYTNDYGDWHKQ-ZLGUVYLKSA-N 1 0 376.460 3.942 20 30 GHEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000731930843 861974525 /nfs/dbraw/zinc/97/45/25/861974525.db2.gz OQPAYONIAGHSCN-UHFFFAOYSA-N 1 0 388.512 3.758 20 30 GHEDRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000176461790 849198909 /nfs/dbraw/zinc/19/89/09/849198909.db2.gz DOGYRFDMLCGHQX-OALUTQOASA-N 1 0 378.520 3.824 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248128013 849355676 /nfs/dbraw/zinc/35/56/76/849355676.db2.gz VXFVIVXCXCLXSN-VXKWHMMOSA-N 1 0 376.504 3.924 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000329129250 849478501 /nfs/dbraw/zinc/47/85/01/849478501.db2.gz ZZRXFTKDWVOHEA-UHFFFAOYSA-N 1 0 379.863 3.910 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080165099 849690010 /nfs/dbraw/zinc/69/00/10/849690010.db2.gz XGJDADLDQMZXSU-XMSQKQJNSA-N 1 0 376.504 3.753 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000052314579 849739028 /nfs/dbraw/zinc/73/90/28/849739028.db2.gz OINUAGFMLLRQBI-IYBDPMFKSA-N 1 0 380.448 3.688 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C2)C1 ZINC000505509589 849759435 /nfs/dbraw/zinc/75/94/35/849759435.db2.gz GMBQGWJTQYQALY-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCC2CCC(C#N)CC2)[NH+](C)C)cc1 ZINC000503907612 849768535 /nfs/dbraw/zinc/76/85/35/849768535.db2.gz BHXLTZQTPHARBL-WIXQSORDSA-N 1 0 386.540 3.706 20 30 GHEDRO C=CCC1(CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCCC1 ZINC000458504484 849793210 /nfs/dbraw/zinc/79/32/10/849793210.db2.gz MUYJZEFMMQOXIQ-UHFFFAOYSA-N 1 0 385.552 3.579 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276831 862059374 /nfs/dbraw/zinc/05/93/74/862059374.db2.gz VGQBMFHRPJRKAQ-BETUJISGSA-N 1 0 393.331 3.950 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000434848044 849832152 /nfs/dbraw/zinc/83/21/52/849832152.db2.gz GMFSNNRMUUEBRP-GOSISDBHSA-N 1 0 389.499 3.949 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000504076001 849881849 /nfs/dbraw/zinc/88/18/49/849881849.db2.gz JFBGHACEWLROCP-UHFFFAOYSA-N 1 0 386.390 3.630 20 30 GHEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434987376 849973962 /nfs/dbraw/zinc/97/39/62/849973962.db2.gz UFDCOGHVKBYWBL-JOCHJYFZSA-N 1 0 389.503 3.548 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CCCC[C@H]2C)cc1OC ZINC000518765512 850062519 /nfs/dbraw/zinc/06/25/19/850062519.db2.gz HQJOYGDLGXCOMI-OAHLLOKOSA-N 1 0 397.357 3.987 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000486812634 850118838 /nfs/dbraw/zinc/11/88/38/850118838.db2.gz XOUNWBYGXASJIT-GCJKJVERSA-N 1 0 391.515 3.880 20 30 GHEDRO COc1cc(CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cc(OC)c1 ZINC000486805762 850129646 /nfs/dbraw/zinc/12/96/46/850129646.db2.gz XKTZIHKFRXERDE-UHFFFAOYSA-N 1 0 393.531 3.823 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)s2)C1 ZINC000514665957 850141174 /nfs/dbraw/zinc/14/11/74/850141174.db2.gz PRCSIXXKERDNMG-INIZCTEOSA-N 1 0 382.533 3.851 20 30 GHEDRO CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424071387 850185368 /nfs/dbraw/zinc/18/53/68/850185368.db2.gz ZYCVKRMDAUUNJU-NRFANRHFSA-N 1 0 387.487 3.519 20 30 GHEDRO CC[C@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1C(F)(F)F ZINC000439638710 850201140 /nfs/dbraw/zinc/20/11/40/850201140.db2.gz WMOJBSNMMQHVFR-QAPCUYQASA-N 1 0 391.393 3.551 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000424112440 850225622 /nfs/dbraw/zinc/22/56/22/850225622.db2.gz JRUOVVABMYPOHD-NHCUHLMSSA-N 1 0 390.487 3.624 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000424118996 850232480 /nfs/dbraw/zinc/23/24/80/850232480.db2.gz DAXOYPLOIXAGDZ-IBGZPJMESA-N 1 0 383.565 3.663 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000424123132 850236538 /nfs/dbraw/zinc/23/65/38/850236538.db2.gz JXSRAXSEHOCFCZ-GOSISDBHSA-N 1 0 377.602 3.981 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000424132821 850260333 /nfs/dbraw/zinc/26/03/33/850260333.db2.gz YHZMCQSMEUIGJV-HSALFYBXSA-N 1 0 395.576 3.600 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000424238209 850305541 /nfs/dbraw/zinc/30/55/41/850305541.db2.gz GQGLGDADFCJUJI-MSOLQXFVSA-N 1 0 375.586 3.735 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(C#N)cc1 ZINC000504834844 850337786 /nfs/dbraw/zinc/33/77/86/850337786.db2.gz FJUUDHXAEBDPTI-UZLBHIALSA-N 1 0 383.442 3.893 20 30 GHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000518953391 850386049 /nfs/dbraw/zinc/38/60/49/850386049.db2.gz QTIGEQIUABIIDQ-INIZCTEOSA-N 1 0 381.480 3.987 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000504877933 850394293 /nfs/dbraw/zinc/39/42/93/850394293.db2.gz XHJNORWPZMPPPA-LJQANCHMSA-N 1 0 390.531 3.927 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)ccc1OC ZINC000425371457 850478802 /nfs/dbraw/zinc/47/88/02/850478802.db2.gz LNGJYUCESBRFGV-JOCHJYFZSA-N 1 0 389.536 3.698 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000514945659 850491356 /nfs/dbraw/zinc/49/13/56/850491356.db2.gz QHDDQRYNSKVJGT-KRWDZBQOSA-N 1 0 393.491 3.845 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C#N ZINC000041796292 850495356 /nfs/dbraw/zinc/49/53/56/850495356.db2.gz LJVUTJXFSCDDGQ-INIZCTEOSA-N 1 0 386.546 3.647 20 30 GHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN(C)CC[C@H](C)O)sc2C1 ZINC000426519952 850538568 /nfs/dbraw/zinc/53/85/68/850538568.db2.gz DCADIOSQBOMFEG-GJZGRUSLSA-N 1 0 391.581 3.802 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1cccs1 ZINC000522596303 862147050 /nfs/dbraw/zinc/14/70/50/862147050.db2.gz ABLJUMGPPNCLGG-GOSISDBHSA-N 1 0 395.484 3.824 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1C#N ZINC000435535975 850622658 /nfs/dbraw/zinc/62/26/58/850622658.db2.gz INSBNYXJUXTOHZ-LJQANCHMSA-N 1 0 384.455 3.909 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1 ZINC000414824197 850776159 /nfs/dbraw/zinc/77/61/59/850776159.db2.gz JUGKXLXZPXNGJQ-UXHICEINSA-N 1 0 380.467 3.976 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000435747348 850812845 /nfs/dbraw/zinc/81/28/45/850812845.db2.gz HCMWYNGVKQGIDC-WMLDXEAASA-N 1 0 384.314 3.927 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000425410465 850893611 /nfs/dbraw/zinc/89/36/11/850893611.db2.gz CDBAJFWSSUZLKI-UBBRYJJRSA-N 1 0 385.552 3.555 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000515410214 850990983 /nfs/dbraw/zinc/99/09/83/850990983.db2.gz SVBRSDWLUDSWDJ-UYAOXDASSA-N 1 0 383.540 3.518 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000614516837 851115024 /nfs/dbraw/zinc/11/50/24/851115024.db2.gz WGJFXNCDXYKQJJ-NQSCKRDGSA-N 1 0 377.463 3.728 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1=CC[N@H+](C)CC1 ZINC000329715435 862209179 /nfs/dbraw/zinc/20/91/79/862209179.db2.gz UZIKXVQAQUKEGC-WFASDCNBSA-N 1 0 396.318 3.953 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)C2)CC1 ZINC000329718092 862211226 /nfs/dbraw/zinc/21/12/26/862211226.db2.gz YGKNWYNAEFOVSV-NLWGTHIKSA-N 1 0 392.588 3.878 20 30 GHEDRO C=CCn1c(SCCC[NH+]2CCN(c3ccccc3)CC2)nnc1C1CC1 ZINC000505426493 851210648 /nfs/dbraw/zinc/21/06/48/851210648.db2.gz HQTOKWHIXIPRSC-UHFFFAOYSA-N 1 0 383.565 3.646 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CC[C@@]2(CCOC2)C1 ZINC000262019311 851226699 /nfs/dbraw/zinc/22/66/99/851226699.db2.gz YLTPADXPUWWSRQ-JOCHJYFZSA-N 1 0 398.482 3.591 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000515641572 851287389 /nfs/dbraw/zinc/28/73/89/851287389.db2.gz XYIOLLMPRWFVRK-IAGOWNOFSA-N 1 0 397.954 3.755 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000425501402 851382387 /nfs/dbraw/zinc/38/23/87/851382387.db2.gz FQGOJVOOOUGADL-KGVIQGDOSA-N 1 0 376.504 3.781 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000436279685 851401105 /nfs/dbraw/zinc/40/11/05/851401105.db2.gz BRYAZSDLGCZFEB-DEYYWGMASA-N 1 0 381.314 3.737 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000436297348 851432178 /nfs/dbraw/zinc/43/21/78/851432178.db2.gz XJYXIHNYBLGITI-DEYYWGMASA-N 1 0 386.414 3.873 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000570151306 851491165 /nfs/dbraw/zinc/49/11/65/851491165.db2.gz AZNWTZWGWQOIGL-QHCPKHFHSA-N 1 0 390.531 3.702 20 30 GHEDRO CCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000604490067 862249603 /nfs/dbraw/zinc/24/96/03/862249603.db2.gz HJIDBMBSARYGOC-UNMCSNQZSA-N 1 0 396.579 3.829 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000488509359 851572292 /nfs/dbraw/zinc/57/22/92/851572292.db2.gz VNACBWJRGNWVRW-LAUBAEHRSA-N 1 0 379.529 3.677 20 30 GHEDRO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000488809511 851786031 /nfs/dbraw/zinc/78/60/31/851786031.db2.gz NTJYOHUQECUZHW-HNAYVOBHSA-N 1 0 375.875 3.889 20 30 GHEDRO CC[N@H+](CCNC(=O)c1c(Cl)cc(C#N)cc1Cl)CCC(F)(F)F ZINC000617416063 851798334 /nfs/dbraw/zinc/79/83/34/851798334.db2.gz WZERCDFGQBDTNJ-UHFFFAOYSA-N 1 0 382.213 3.869 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Cl)cc(F)c1Br ZINC000550182594 851839985 /nfs/dbraw/zinc/83/99/85/851839985.db2.gz DDEPTFWAOCEVRA-UHFFFAOYSA-N 1 0 390.684 3.549 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000437997930 851934591 /nfs/dbraw/zinc/93/45/91/851934591.db2.gz MMSBMPGAIMSIFK-FCHUYYIVSA-N 1 0 397.563 3.665 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000438000807 851937264 /nfs/dbraw/zinc/93/72/64/851937264.db2.gz QEDAJCPHFQAHIQ-GIVPXCGWSA-N 1 0 385.552 3.930 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000505840632 851985365 /nfs/dbraw/zinc/98/53/65/851985365.db2.gz ROUQTVKAIXAFJY-JOCHJYFZSA-N 1 0 391.515 3.697 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC1 ZINC000489157699 852058173 /nfs/dbraw/zinc/05/81/73/852058173.db2.gz LZGCQCFTGUKCPV-UHFFFAOYSA-N 1 0 388.418 3.924 20 30 GHEDRO N#CC1CCC(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000570390295 852138357 /nfs/dbraw/zinc/13/83/57/852138357.db2.gz UJOYNEITWZSELJ-BTRQGYIVSA-N 1 0 379.504 3.903 20 30 GHEDRO C[N@H+](CCOc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000517626254 852167672 /nfs/dbraw/zinc/16/76/72/852167672.db2.gz YRVWTRVCOYLKBY-OALUTQOASA-N 1 0 377.271 3.834 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517668689 852245851 /nfs/dbraw/zinc/24/58/51/852245851.db2.gz XEDQVJYDIFCZJV-QGZVFWFLSA-N 1 0 392.503 3.986 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000438456458 852422910 /nfs/dbraw/zinc/42/29/10/852422910.db2.gz PWMZLGMGYWCCIJ-IEBWSBKVSA-N 1 0 379.570 3.583 20 30 GHEDRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@H]1CCCCO1 ZINC000329832845 862357404 /nfs/dbraw/zinc/35/74/04/862357404.db2.gz LBQNMCXWASOMKM-DDLCOGFTSA-N 1 0 377.529 3.715 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](COc3ccccc3)C2)sc2c1CCC2 ZINC000505896333 852469514 /nfs/dbraw/zinc/46/95/14/852469514.db2.gz QOEMLXIFZBVZQA-INIZCTEOSA-N 1 0 395.528 3.838 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000516417228 852513843 /nfs/dbraw/zinc/51/38/43/852513843.db2.gz QVXNERBDSUGMHD-RCLSDMTESA-N 1 0 379.529 3.923 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1OC ZINC000029179363 852584860 /nfs/dbraw/zinc/58/48/60/852584860.db2.gz NXXGGZWPSVOVCL-FQEVSTJZSA-N 1 0 380.488 3.827 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000517906058 852608248 /nfs/dbraw/zinc/60/82/48/852608248.db2.gz HMIZCEKFVSXRAO-IBGZPJMESA-N 1 0 378.476 3.661 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329858608 862379032 /nfs/dbraw/zinc/37/90/32/862379032.db2.gz OCZSTYGUVBTMEG-MRXNPFEDSA-N 1 0 375.561 3.872 20 30 GHEDRO COCCOc1ccccc1N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000490004950 852699725 /nfs/dbraw/zinc/69/97/25/852699725.db2.gz XLWVKCNNJBVBLS-UHFFFAOYSA-N 1 0 393.531 3.835 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1 ZINC000517982076 852700743 /nfs/dbraw/zinc/70/07/43/852700743.db2.gz ABFOJXZTYSAIKZ-UHFFFAOYSA-N 1 0 376.500 3.996 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1OCCc2ccccc21 ZINC000507265770 852733083 /nfs/dbraw/zinc/73/30/83/852733083.db2.gz WTNIRJILYJPUAN-FQEVSTJZSA-N 1 0 383.879 3.786 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000506329424 852749675 /nfs/dbraw/zinc/74/96/75/852749675.db2.gz ZVFSZFNGUNNCEQ-IBGZPJMESA-N 1 0 380.492 3.640 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C[NH+]1CCCC1 ZINC000518032748 852757274 /nfs/dbraw/zinc/75/72/74/852757274.db2.gz WIIUANOFCYCVCJ-INIZCTEOSA-N 1 0 381.451 3.951 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC2(CCCC2)CC1 ZINC000669032185 852767869 /nfs/dbraw/zinc/76/78/69/852767869.db2.gz CWMWFXDBOVICLO-MOPGFXCFSA-N 1 0 385.556 3.551 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000516604736 852767883 /nfs/dbraw/zinc/76/78/83/852767883.db2.gz CAWXJUMPAFNCSD-YLJYHZDGSA-N 1 0 390.535 3.846 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000505980391 852798699 /nfs/dbraw/zinc/79/86/99/852798699.db2.gz BBFSRRFTFNZGQA-MOPGFXCFSA-N 1 0 387.405 3.664 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O ZINC000426160297 852865829 /nfs/dbraw/zinc/86/58/29/852865829.db2.gz JKJQJPPLFSMHPQ-VQIMIIECSA-N 1 0 397.494 3.991 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506368360 852888419 /nfs/dbraw/zinc/88/84/19/852888419.db2.gz IXVMSTXKTHTNLF-UHFFFAOYSA-N 1 0 379.479 3.886 20 30 GHEDRO COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC3)c2c1 ZINC000509553045 852905992 /nfs/dbraw/zinc/90/59/92/852905992.db2.gz AYRXQEFOGABVGK-WAIKUNEKSA-N 1 0 394.519 3.709 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429605111 852907484 /nfs/dbraw/zinc/90/74/84/852907484.db2.gz NVXUDSNEBACJIX-UHFFFAOYSA-N 1 0 393.535 3.658 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[NH+](CC(C)C)CC2)c1=S ZINC000151055098 852999553 /nfs/dbraw/zinc/99/95/53/852999553.db2.gz OJXNZNISDCXUFW-UHFFFAOYSA-N 1 0 377.583 3.560 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000516817645 853034545 /nfs/dbraw/zinc/03/45/45/853034545.db2.gz GPDFSUWFSKYNAU-IBGZPJMESA-N 1 0 376.508 3.560 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)N3CCC(CCC#N)CC3)CC[N@@H+]2C2CC2)c1 ZINC000516864047 853093670 /nfs/dbraw/zinc/09/36/70/853093670.db2.gz MNIBVOXBBRDKNN-YADHBBJMSA-N 1 0 396.535 3.698 20 30 GHEDRO CCCc1c(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cnn1-c1cccc(C#N)c1 ZINC000507604314 853095223 /nfs/dbraw/zinc/09/52/23/853095223.db2.gz HBPPATUXPSGMPF-SFHVURJKSA-N 1 0 379.508 3.899 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000329931779 862434131 /nfs/dbraw/zinc/43/41/31/862434131.db2.gz AVWPSMXDMHFJOW-AWEZNQCLSA-N 1 0 393.890 3.663 20 30 GHEDRO C#C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)cc1 ZINC000894870356 853282183 /nfs/dbraw/zinc/28/21/83/853282183.db2.gz KTNIXBNXQHWTNM-GOSISDBHSA-N 1 0 387.277 3.611 20 30 GHEDRO C[C@@H](c1ccccc1Cl)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000029690744 853361565 /nfs/dbraw/zinc/36/15/65/853361565.db2.gz MLLSEKLDBWKYPH-KRWDZBQOSA-N 1 0 396.922 3.919 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440555145 853379803 /nfs/dbraw/zinc/37/98/03/853379803.db2.gz FJGJMKIFROXZLB-VKDGWMQASA-N 1 0 395.547 3.991 20 30 GHEDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000329962899 862462333 /nfs/dbraw/zinc/46/23/33/862462333.db2.gz SYPPLVPGMGEGEH-SFTDATJTSA-N 1 0 385.552 3.894 20 30 GHEDRO Cc1ccc(-c2nc(CCNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)co2)cc1 ZINC000261980799 853427551 /nfs/dbraw/zinc/42/75/51/853427551.db2.gz HYQNMARQGCSTOS-UHFFFAOYSA-N 1 0 392.459 3.781 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC=C(c3ccc(O)cc3)CC1)CCC2 ZINC000025680552 853478773 /nfs/dbraw/zinc/47/87/73/853478773.db2.gz KCYBVSSSLZQYJK-UHFFFAOYSA-N 1 0 393.512 3.932 20 30 GHEDRO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000519795514 853479349 /nfs/dbraw/zinc/47/93/49/853479349.db2.gz YZUMFOOGLRPQTJ-HYBUGGRVSA-N 1 0 394.515 3.911 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000586776189 853517305 /nfs/dbraw/zinc/51/73/05/853517305.db2.gz KROQQMXHZWULMZ-NOXFTYBFSA-N 1 0 394.515 3.974 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000586806795 853536852 /nfs/dbraw/zinc/53/68/52/853536852.db2.gz MMVOXEVARYRJHP-XKCSPQBFSA-N 1 0 391.490 3.657 20 30 GHEDRO CC(C)[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1 ZINC000519908650 853598940 /nfs/dbraw/zinc/59/89/40/853598940.db2.gz IXYUHUBUSLUBDV-UHFFFAOYSA-N 1 0 375.472 3.845 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1C)C(=S)NC[C@@H]1CCCO1 ZINC000055011329 853628122 /nfs/dbraw/zinc/62/81/22/853628122.db2.gz HBCFCLBBGLDVEM-SFHVURJKSA-O 1 0 383.537 3.552 20 30 GHEDRO C[C@H](NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1)c1ccccc1 ZINC000055013565 853629160 /nfs/dbraw/zinc/62/91/60/853629160.db2.gz IYOAQTOICRMXNC-KRWDZBQOSA-O 1 0 391.516 3.756 20 30 GHEDRO Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc(C[NH+]3CCC(O)CC3)c1)O2 ZINC000330005056 862498203 /nfs/dbraw/zinc/49/82/03/862498203.db2.gz DAKAQUGIJNLEMT-JOCHJYFZSA-N 1 0 380.488 3.934 20 30 GHEDRO COc1ccccc1[C@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)[NH+]1CCCCC1 ZINC000587363532 853783823 /nfs/dbraw/zinc/78/38/23/853783823.db2.gz VKRRBMDGYHIUNV-IBGZPJMESA-N 1 0 395.463 3.696 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c(O)c(OC)c1 ZINC000164186468 853786397 /nfs/dbraw/zinc/78/63/97/853786397.db2.gz XRESBBZTIABTEZ-SFHVURJKSA-N 1 0 395.503 3.683 20 30 GHEDRO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811178 862512417 /nfs/dbraw/zinc/51/24/17/862512417.db2.gz OECKZQFLDMPXAZ-LJQANCHMSA-N 1 0 387.405 3.820 20 30 GHEDRO C=CCn1c(C2CC2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571569580 853930000 /nfs/dbraw/zinc/93/00/00/853930000.db2.gz GAPXEHHXRZWRPE-QHCPKHFHSA-N 1 0 377.536 3.834 20 30 GHEDRO COCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000520183715 853931767 /nfs/dbraw/zinc/93/17/67/853931767.db2.gz LWZGFVMCCYFNTR-AUUYWEPGSA-N 1 0 397.441 3.523 20 30 GHEDRO C[NH+](C)Cc1cc(-c2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)ccc1F ZINC000571563702 853950367 /nfs/dbraw/zinc/95/03/67/853950367.db2.gz ZOHADWOSJDNQTO-KRWDZBQOSA-N 1 0 375.407 3.659 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C[NH+]1CCCC1 ZINC000055540813 854004380 /nfs/dbraw/zinc/00/43/80/854004380.db2.gz KAWFGAPOUZBQDA-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)CCc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055752349 854089597 /nfs/dbraw/zinc/08/95/97/854089597.db2.gz APEODMFXJWOYPW-JOCHJYFZSA-N 1 0 391.515 3.843 20 30 GHEDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520339456 854097611 /nfs/dbraw/zinc/09/76/11/854097611.db2.gz XGVYBPSGGPUJEP-QGZVFWFLSA-N 1 0 380.492 3.986 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000571812488 854164769 /nfs/dbraw/zinc/16/47/69/854164769.db2.gz LFLVRIGUDDCJPW-IAGOWNOFSA-N 1 0 393.491 3.987 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520412987 854184030 /nfs/dbraw/zinc/18/40/30/854184030.db2.gz IIWQWDVQDCQRCV-HKUYNNGSSA-N 1 0 388.830 3.794 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000588232462 854225224 /nfs/dbraw/zinc/22/52/24/854225224.db2.gz IGHLCJCIEZJQPA-HXUWFJFHSA-N 1 0 383.923 3.542 20 30 GHEDRO C=CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000046375545 854225927 /nfs/dbraw/zinc/22/59/27/854225927.db2.gz LNVJVBATJRJLLY-UHFFFAOYSA-N 1 0 380.488 3.786 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc(C(F)(F)F)s3)C2)c(F)c1 ZINC000443970204 862566069 /nfs/dbraw/zinc/56/60/69/862566069.db2.gz QPQXQOGHYHQRLS-LBPRGKRZSA-N 1 0 384.402 3.931 20 30 GHEDRO CSc1cc2c(cc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)OCCO2 ZINC000328604588 854480878 /nfs/dbraw/zinc/48/08/78/854480878.db2.gz ITJUSZYAVXODAJ-CQSZACIVSA-N 1 0 379.526 3.531 20 30 GHEDRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000328607042 854481604 /nfs/dbraw/zinc/48/16/04/854481604.db2.gz KWIABGWLMPJEIZ-DZGCQCFKSA-N 1 0 393.509 3.566 20 30 GHEDRO CN1C(=O)C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328842362 854572259 /nfs/dbraw/zinc/57/22/59/854572259.db2.gz VWEQHFXOWYQXHN-YUFWVBKYSA-N 1 0 393.890 3.582 20 30 GHEDRO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000328947245 854612473 /nfs/dbraw/zinc/61/24/73/854612473.db2.gz GTGVDBXLERBOAT-DKYLXPRQSA-N 1 0 378.538 3.637 20 30 GHEDRO CC(C)CNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1Cl ZINC000330712744 854734733 /nfs/dbraw/zinc/73/47/33/854734733.db2.gz QSKWNOQBRGSPGI-ZIAGYGMSSA-N 1 0 380.920 3.871 20 30 GHEDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1NC(=O)NC(C)(C)C ZINC000330855545 854766307 /nfs/dbraw/zinc/76/63/07/854766307.db2.gz HXQYCFIBVDSXDJ-GOSISDBHSA-N 1 0 386.540 3.629 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000330918097 854786724 /nfs/dbraw/zinc/78/67/24/854786724.db2.gz MOQHUHLLMCMQAS-UHFFFAOYSA-N 1 0 384.318 3.966 20 30 GHEDRO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000330982511 854790580 /nfs/dbraw/zinc/79/05/80/854790580.db2.gz ODFLIJAFVMMELA-AWEZNQCLSA-N 1 0 398.345 3.593 20 30 GHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000589321428 854808760 /nfs/dbraw/zinc/80/87/60/854808760.db2.gz CZLJSFDRUPOURG-INIZCTEOSA-N 1 0 381.480 3.987 20 30 GHEDRO CC(C)c1cc(Br)ccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000331148722 854815472 /nfs/dbraw/zinc/81/54/72/854815472.db2.gz BDYSROTZNQTIQI-ZIAGYGMSSA-N 1 0 398.345 3.505 20 30 GHEDRO Cc1c(CSC(C)C)cccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000331206715 854825191 /nfs/dbraw/zinc/82/51/91/854825191.db2.gz ZXBPEMJYTYKLTR-HZPDHXFCSA-N 1 0 379.570 3.569 20 30 GHEDRO CCNC(=O)N(C)c1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000331207862 854825500 /nfs/dbraw/zinc/82/55/00/854825500.db2.gz VHPIPFPNOCYKOT-UHFFFAOYSA-N 1 0 375.517 3.647 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481993745 862611266 /nfs/dbraw/zinc/61/12/66/862611266.db2.gz OWSTXPWPBVWLDE-AUSIDOKSSA-N 1 0 383.499 3.992 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cccc(C#N)n2)cc1)C[C@H]1CCCCO1 ZINC000589478919 854900621 /nfs/dbraw/zinc/90/06/21/854900621.db2.gz XTURNGLWNNSPHP-OAQYLSRUSA-N 1 0 392.503 3.985 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(c4ccccc4)CC3)CC2)nc1 ZINC000090971139 854997918 /nfs/dbraw/zinc/99/79/18/854997918.db2.gz ZPURIGYLPPMXTH-UHFFFAOYSA-N 1 0 376.504 3.902 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1C ZINC000572830438 855007185 /nfs/dbraw/zinc/00/71/85/855007185.db2.gz SCAFYGQHMSCJRN-NNWRFLSQSA-N 1 0 383.536 3.566 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000765811450 855020430 /nfs/dbraw/zinc/02/04/30/855020430.db2.gz YAYRLCLAOCAUKO-PKTZIBPZSA-N 1 0 398.934 3.904 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1[N+](=O)[O-] ZINC000153542896 855065611 /nfs/dbraw/zinc/06/56/11/855065611.db2.gz LMONVPZYRYKFNR-OAHLLOKOSA-N 1 0 395.463 3.580 20 30 GHEDRO C[C@@H](Cc1ccccc1F)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054622354 855176260 /nfs/dbraw/zinc/17/62/60/855176260.db2.gz KXNBNODUZVMXAE-SFHVURJKSA-N 1 0 394.494 3.546 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000106349501 855221746 /nfs/dbraw/zinc/22/17/46/855221746.db2.gz IYEARSOUUCIBIV-UHFFFAOYSA-N 1 0 393.487 3.574 20 30 GHEDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000186429574 855236665 /nfs/dbraw/zinc/23/66/65/855236665.db2.gz WLCGFXABYOJSGN-OAHLLOKOSA-N 1 0 398.425 3.783 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2cc3ccccc3o2)n1 ZINC000590052003 855264648 /nfs/dbraw/zinc/26/46/48/855264648.db2.gz TWKVCNVBOCOGSF-LJQANCHMSA-N 1 0 399.454 3.753 20 30 GHEDRO CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000590053383 855264741 /nfs/dbraw/zinc/26/47/41/855264741.db2.gz VBTXYBLSXMTMGS-QFBILLFUSA-N 1 0 381.476 3.792 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)n2)CC1 ZINC000330215118 862668200 /nfs/dbraw/zinc/66/82/00/862668200.db2.gz MEHOCNXJVJKADJ-IBGZPJMESA-N 1 0 387.503 3.824 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000465643999 855487693 /nfs/dbraw/zinc/48/76/93/855487693.db2.gz XVEBCBKLXJIDQA-FGZHOGPDSA-N 1 0 376.504 3.730 20 30 GHEDRO COc1ccc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C2CC2)cc1 ZINC000057601786 855535834 /nfs/dbraw/zinc/53/58/34/855535834.db2.gz GUEPUGQTUZLTLF-SFHVURJKSA-N 1 0 383.536 3.981 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000465669440 855556439 /nfs/dbraw/zinc/55/64/39/855556439.db2.gz UAXOJVSFKUBNME-OALUTQOASA-N 1 0 376.504 3.925 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1C#N ZINC000590758580 855565610 /nfs/dbraw/zinc/56/56/10/855565610.db2.gz JMLKOTBEUBOKSJ-RTWAWAEBSA-N 1 0 376.504 3.834 20 30 GHEDRO Cc1nc(-c2ccncc2)nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000301159684 855629163 /nfs/dbraw/zinc/62/91/63/855629163.db2.gz FHLWWRQHJUVAIJ-UHFFFAOYSA-N 1 0 398.514 3.739 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C#N)cc3C(F)(F)F)cn2)CC1 ZINC000301321358 855665408 /nfs/dbraw/zinc/66/54/08/855665408.db2.gz HCARQRWFWBQDRJ-UHFFFAOYSA-N 1 0 389.425 3.726 20 30 GHEDRO N#Cc1cccc(Cl)c1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301397111 855688093 /nfs/dbraw/zinc/68/80/93/855688093.db2.gz GTMDPRXVBYHPHY-GOSISDBHSA-N 1 0 395.938 3.645 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000591036265 855731140 /nfs/dbraw/zinc/73/11/40/855731140.db2.gz FEKLUOXXYLQZCW-TZIWHRDSSA-N 1 0 382.895 3.575 20 30 GHEDRO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nc1 ZINC000591039583 855732174 /nfs/dbraw/zinc/73/21/74/855732174.db2.gz MOENWBHYXTZTIT-AWEZNQCLSA-N 1 0 382.533 3.909 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000301981046 855795284 /nfs/dbraw/zinc/79/52/84/855795284.db2.gz IKXUMDNVYKNRHU-GASCZTMLSA-N 1 0 381.442 3.903 20 30 GHEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000057950441 855826478 /nfs/dbraw/zinc/82/64/78/855826478.db2.gz PXZMTZGNKQQPMC-OAHLLOKOSA-N 1 0 382.323 3.939 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000108346612 855835387 /nfs/dbraw/zinc/83/53/87/855835387.db2.gz OPHGTEGQCBHZQO-LJQANCHMSA-N 1 0 379.529 3.922 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(C#N)c2)CC1 ZINC000574772200 855851975 /nfs/dbraw/zinc/85/19/75/855851975.db2.gz IPYQZNDVKZCLCA-UHFFFAOYSA-N 1 0 383.879 3.866 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591284917 855883790 /nfs/dbraw/zinc/88/37/90/855883790.db2.gz YDGZGJSBGOFIGX-LJQANCHMSA-N 1 0 378.476 3.709 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591284627 855883881 /nfs/dbraw/zinc/88/38/81/855883881.db2.gz SBICOPHCGPESEP-QFBILLFUSA-N 1 0 392.459 3.575 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591284921 855884034 /nfs/dbraw/zinc/88/40/34/855884034.db2.gz YHXFFYONZHZQAP-UGKGYDQZSA-N 1 0 390.487 3.661 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1OCc1cccnc1 ZINC000237220258 855958042 /nfs/dbraw/zinc/95/80/42/855958042.db2.gz QMTJZLPFFAWBDQ-UHFFFAOYSA-N 1 0 377.419 3.970 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000591410018 855963396 /nfs/dbraw/zinc/96/33/96/855963396.db2.gz MLXGAKMRZFOHNR-COPCDDAFSA-N 1 0 378.520 3.594 20 30 GHEDRO COc1ccc([C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)N2CCCCC2)cc1 ZINC000123154105 855990441 /nfs/dbraw/zinc/99/04/41/855990441.db2.gz OUBSQJOKRIUHIQ-QFIPXVFZSA-N 1 0 389.503 3.531 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000520697035 856044164 /nfs/dbraw/zinc/04/41/64/856044164.db2.gz YXAAYQHZDLQXND-UHFFFAOYSA-N 1 0 380.330 3.631 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCN(c3ccc(C#N)cc3)CC1)O[C@H](C)C2 ZINC000573344358 856059067 /nfs/dbraw/zinc/05/90/67/856059067.db2.gz UDCVSHBWRPJWJO-MRXNPFEDSA-N 1 0 377.488 3.649 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000921725575 856068327 /nfs/dbraw/zinc/06/83/27/856068327.db2.gz MHCAGHWEYSCXEV-UHFFFAOYSA-N 1 0 398.304 3.733 20 30 GHEDRO C[N@@H+]1CCCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000665161688 856089174 /nfs/dbraw/zinc/08/91/74/856089174.db2.gz GWOKOWPXCZZORS-UHFFFAOYSA-N 1 0 386.311 3.754 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(CC#N)CC3)cc2)C1 ZINC000542846537 856115705 /nfs/dbraw/zinc/11/57/05/856115705.db2.gz MJZBNQJTLDHBOC-KDURUIRLSA-N 1 0 382.552 4.000 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N1CCC(CC#N)CC1)[NH+]1CCCCC1 ZINC000542849791 856127285 /nfs/dbraw/zinc/12/72/85/856127285.db2.gz FQDAMRCEHHITFL-HXUWFJFHSA-N 1 0 384.524 3.557 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000591763711 856231542 /nfs/dbraw/zinc/23/15/42/856231542.db2.gz DHSREYBMBYZWGY-KBXCAEBGSA-N 1 0 377.271 3.882 20 30 GHEDRO Cc1cc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(C)c(C)c1C#N ZINC001128712030 856247020 /nfs/dbraw/zinc/24/70/20/856247020.db2.gz BTKLHCCAZLHPGZ-PZJWPPBQSA-N 1 0 394.519 3.637 20 30 GHEDRO CCCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485227274 856248255 /nfs/dbraw/zinc/24/82/55/856248255.db2.gz CIIBANCEGQYVFU-HXUWFJFHSA-N 1 0 393.487 3.641 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)CC1 ZINC000520736213 856280991 /nfs/dbraw/zinc/28/09/91/856280991.db2.gz CQHPRFMMDNLDHI-KRWDZBQOSA-N 1 0 379.504 3.611 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](C)Oc3ccccc3C#N)C2)s1 ZINC000573619038 856319609 /nfs/dbraw/zinc/31/96/09/856319609.db2.gz XFBRXHGTEYASCE-ZWKOTPCHSA-N 1 0 397.544 3.676 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000109661985 856352331 /nfs/dbraw/zinc/35/23/31/856352331.db2.gz CILOWJIQVVTNIZ-OFNKIYASSA-N 1 0 397.563 3.932 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000624837540 856448487 /nfs/dbraw/zinc/44/84/87/856448487.db2.gz SDPZHUUDGROUNP-HSALFYBXSA-N 1 0 387.572 3.797 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000485416635 856463254 /nfs/dbraw/zinc/46/32/54/856463254.db2.gz UCTOGVZUZQTSPX-FLUSEDSTSA-N 1 0 375.472 3.596 20 30 GHEDRO N#Cc1ccc(OC2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000507846699 856534868 /nfs/dbraw/zinc/53/48/68/856534868.db2.gz FCFZRCQLYCPGAG-UHFFFAOYSA-N 1 0 375.472 3.529 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000542883094 856607443 /nfs/dbraw/zinc/60/74/43/856607443.db2.gz JFWQKFYAPGAYMS-LJQANCHMSA-N 1 0 389.293 3.803 20 30 GHEDRO COc1cc(Br)c(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1OC ZINC001203447904 856628742 /nfs/dbraw/zinc/62/87/42/856628742.db2.gz RRRVAHWXMCTWSY-INIZCTEOSA-N 1 0 387.277 3.595 20 30 GHEDRO N#CCCN(C(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1)c1ccccc1 ZINC000592139345 856675388 /nfs/dbraw/zinc/67/53/88/856675388.db2.gz WWVZDNCAKXEBEJ-HSZRJFAPSA-N 1 0 391.515 3.596 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000330305261 862822991 /nfs/dbraw/zinc/82/29/91/862822991.db2.gz QMNUDSMWVVTARW-SFHVURJKSA-N 1 0 393.553 3.714 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CCC3)o2)c1 ZINC000592139277 856687431 /nfs/dbraw/zinc/68/74/31/856687431.db2.gz SOKNAELQGWRCDN-NRFANRHFSA-N 1 0 388.471 3.771 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592175296 856774453 /nfs/dbraw/zinc/77/44/53/856774453.db2.gz LWDZLTBSZNZZLC-LJQANCHMSA-N 1 0 381.501 3.608 20 30 GHEDRO Cn1cc(C[NH2+]CC[C@H]2CSc3ccccc3O2)c(-c2ccc(C#N)cc2)n1 ZINC000592373000 856785835 /nfs/dbraw/zinc/78/58/35/856785835.db2.gz MVBWTWGSWQLHCE-IBGZPJMESA-N 1 0 390.512 3.992 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3c3cnn(C)c3)sc2C1 ZINC000245432834 856848692 /nfs/dbraw/zinc/84/86/92/856848692.db2.gz BOBBVKZUBLYDEA-KSSFIOAISA-N 1 0 397.548 3.644 20 30 GHEDRO CCCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1snc(C)c1C#N ZINC000906175251 856881959 /nfs/dbraw/zinc/88/19/59/856881959.db2.gz GNLREBKWOYSHHN-UHFFFAOYSA-N 1 0 382.533 3.978 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000592492246 856898936 /nfs/dbraw/zinc/89/89/36/856898936.db2.gz IABPICTZMDOBRL-SFHVURJKSA-N 1 0 394.519 3.671 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000111770177 857005346 /nfs/dbraw/zinc/00/53/46/857005346.db2.gz VPFBKNHFEJVYNY-UHFFFAOYSA-N 1 0 384.483 3.865 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1Br ZINC000007879293 857023721 /nfs/dbraw/zinc/02/37/21/857023721.db2.gz VYJRLIXWMQSCIR-GFCCVEGCSA-N 1 0 388.265 3.619 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000733322595 862864122 /nfs/dbraw/zinc/86/41/22/862864122.db2.gz OLHMAQBTWSHPCY-JOCHJYFZSA-N 1 0 384.907 3.515 20 30 GHEDRO N#Cc1sc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)nc1Cl ZINC000888408492 857061456 /nfs/dbraw/zinc/06/14/56/857061456.db2.gz UJTYZPIWFNSYOA-UHFFFAOYSA-N 1 0 381.933 3.788 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000733325971 862868222 /nfs/dbraw/zinc/86/82/22/862868222.db2.gz BKFMYIYDGPBGRJ-JOCHJYFZSA-N 1 0 384.907 3.515 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc(OC)c1O ZINC000733325580 862868242 /nfs/dbraw/zinc/86/82/42/862868242.db2.gz KSZDYVODWWBROS-HNNXBMFYSA-N 1 0 382.460 3.937 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc2ccccc2n1 ZINC000485778727 857082845 /nfs/dbraw/zinc/08/28/45/857082845.db2.gz AHZFYQZHACTRSH-UHFFFAOYSA-N 1 0 386.499 3.629 20 30 GHEDRO C[C@@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001128960769 857100663 /nfs/dbraw/zinc/10/06/63/857100663.db2.gz GGEUZHUXPMPIDB-SFHVURJKSA-N 1 0 393.506 3.955 20 30 GHEDRO CC1=C(Br)CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000281158459 862877684 /nfs/dbraw/zinc/87/76/84/862877684.db2.gz PPCFHVBBJOWUDL-UHFFFAOYSA-N 1 0 386.297 3.733 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1Cl ZINC000131850284 857120886 /nfs/dbraw/zinc/12/08/86/857120886.db2.gz GVBUZRHQARNZSQ-UHFFFAOYSA-N 1 0 383.879 3.668 20 30 GHEDRO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000064248539 857121352 /nfs/dbraw/zinc/12/13/52/857121352.db2.gz PLXBVZKRGBQKPD-CQSZACIVSA-N 1 0 376.382 3.735 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064497671 857168159 /nfs/dbraw/zinc/16/81/59/857168159.db2.gz WAQMVMBJMDIYKS-SFTDATJTSA-N 1 0 381.907 3.906 20 30 GHEDRO COc1ccc(Cl)c(N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000593038203 857192885 /nfs/dbraw/zinc/19/28/85/857192885.db2.gz XGDUMFNHOAZMNI-UHFFFAOYSA-N 1 0 377.916 3.571 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000282194181 857225049 /nfs/dbraw/zinc/22/50/49/857225049.db2.gz CCRPOSBLNVYCJR-HUUCEWRRSA-N 1 0 375.538 3.717 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000246108602 857235400 /nfs/dbraw/zinc/23/54/00/857235400.db2.gz NBJDYPMWWNRBFW-AZUAARDMSA-N 1 0 375.472 3.907 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888414670 857274035 /nfs/dbraw/zinc/27/40/35/857274035.db2.gz XBZVIDLWGQJZMN-CQSZACIVSA-N 1 0 389.912 3.654 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(Oc2cc(C)ccn2)CC1 ZINC000542976867 857328319 /nfs/dbraw/zinc/32/83/19/857328319.db2.gz OZWCDKGFRHOLFE-SFHVURJKSA-N 1 0 399.560 3.898 20 30 GHEDRO COC(=O)c1ccc(C(=NO)NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168012115 857340307 /nfs/dbraw/zinc/34/03/07/857340307.db2.gz WKBJRYCPWFTSCK-IAGOWNOFSA-N 1 0 395.503 3.640 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@@H](C)CN1Cc1ccc(C#N)cc1F ZINC000441903463 857346611 /nfs/dbraw/zinc/34/66/11/857346611.db2.gz JKZPDKHVNNJUTO-IYBDPMFKSA-N 1 0 380.442 3.803 20 30 GHEDRO COCCC[NH+]1CCC(Nc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000429217398 862912123 /nfs/dbraw/zinc/91/21/23/862912123.db2.gz SIJYZYMZUSAIPV-UHFFFAOYSA-N 1 0 386.721 3.887 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000246787510 857462005 /nfs/dbraw/zinc/46/20/05/857462005.db2.gz RCCCBEIDKRBMKU-FCHUYYIVSA-N 1 0 389.499 3.694 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000593526502 857598442 /nfs/dbraw/zinc/59/84/42/857598442.db2.gz GZPXIBCMALRYDB-UHFFFAOYSA-N 1 0 397.544 3.562 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000593580517 857630995 /nfs/dbraw/zinc/63/09/95/857630995.db2.gz GNFRXMHPSAACBA-DYESRHJHSA-N 1 0 399.560 3.766 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593718909 857667398 /nfs/dbraw/zinc/66/73/98/857667398.db2.gz AUZVJRGTUGOSIZ-QGZVFWFLSA-N 1 0 379.504 3.891 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000543580703 862949775 /nfs/dbraw/zinc/94/97/75/862949775.db2.gz IDDDVKNCXSXOAV-MRXNPFEDSA-N 1 0 381.451 3.951 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000594021862 857840907 /nfs/dbraw/zinc/84/09/07/857840907.db2.gz YPYJPICNHRQXSX-KRWDZBQOSA-N 1 0 388.581 3.683 20 30 GHEDRO COC1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000521402436 857958977 /nfs/dbraw/zinc/95/89/77/857958977.db2.gz HLBFHPKYYJKHIQ-QQFBHYJXSA-N 1 0 389.565 3.963 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC000521468909 858024896 /nfs/dbraw/zinc/02/48/96/858024896.db2.gz OYBOQIZCHNNJBE-UHFFFAOYSA-N 1 0 389.931 3.714 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1C#N ZINC000521499431 858050008 /nfs/dbraw/zinc/05/00/08/858050008.db2.gz RUKBBVVWANIPLH-HXUWFJFHSA-N 1 0 394.544 3.894 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2ccc(C#N)cc2OC)CC[N@@H+]1Cc1ccccc1 ZINC000574496362 858057388 /nfs/dbraw/zinc/05/73/88/858057388.db2.gz FKBNYNQBAYSMSO-IBGZPJMESA-N 1 0 378.476 3.695 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000066349219 858083332 /nfs/dbraw/zinc/08/33/32/858083332.db2.gz YBZMQUCTBZQELI-JOCHJYFZSA-N 1 0 379.500 3.750 20 30 GHEDRO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000066389413 858103688 /nfs/dbraw/zinc/10/36/88/858103688.db2.gz FTGHEZNKMHVWOJ-INIZCTEOSA-N 1 0 397.906 3.877 20 30 GHEDRO C=CCOc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000046623448 858168311 /nfs/dbraw/zinc/16/83/11/858168311.db2.gz SHAMMLWOKNXDHK-OALUTQOASA-N 1 0 394.515 3.791 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000594429272 858174392 /nfs/dbraw/zinc/17/43/92/858174392.db2.gz RUZXTBUXMRXMSN-MRXNPFEDSA-N 1 0 378.314 3.746 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000594431603 858175113 /nfs/dbraw/zinc/17/51/13/858175113.db2.gz ONSWATGMCMYJPW-OAQYLSRUSA-N 1 0 377.488 3.706 20 30 GHEDRO COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594433671 858176104 /nfs/dbraw/zinc/17/61/04/858176104.db2.gz QNJHSPZOVVIYDZ-CRAIPNDOSA-N 1 0 377.916 3.541 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000594449994 858179766 /nfs/dbraw/zinc/17/97/66/858179766.db2.gz QQNKJVYXETVPMZ-ZWKOTPCHSA-N 1 0 392.341 3.784 20 30 GHEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594496751 858192450 /nfs/dbraw/zinc/19/24/50/858192450.db2.gz UCYQBKBAXKLWHW-UHFFFAOYSA-N 1 0 399.560 3.806 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C#N)cc3)C2)c1 ZINC000594497901 858192576 /nfs/dbraw/zinc/19/25/76/858192576.db2.gz KWXHUYSSCYQUFV-LJQANCHMSA-N 1 0 379.504 3.873 20 30 GHEDRO C=CCN1CC[C@H](N(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1=O ZINC000281387039 863004945 /nfs/dbraw/zinc/00/49/45/863004945.db2.gz NXJDJSMKAUBYQK-NRFANRHFSA-N 1 0 398.551 3.702 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](c3cccc(F)c3)N3CCOCC3)cc2)CC1 ZINC000594918849 858304239 /nfs/dbraw/zinc/30/42/39/858304239.db2.gz TYEPFZIZXQGKHL-QFIPXVFZSA-N 1 0 379.479 3.544 20 30 GHEDRO CC[C@H](CC(F)F)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000594924021 858305726 /nfs/dbraw/zinc/30/57/26/858305726.db2.gz KSXZBZXRUZMENY-MRXNPFEDSA-N 1 0 385.458 3.960 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(OC3CC3)c2F)c(-c2ccncc2)n1 ZINC000594971197 858335111 /nfs/dbraw/zinc/33/51/11/858335111.db2.gz AUGQHLNAKMRNTF-UHFFFAOYSA-N 1 0 391.450 3.829 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1Cl ZINC000521829232 858346593 /nfs/dbraw/zinc/34/65/93/858346593.db2.gz VIZYYOOKQRVHBQ-MRXNPFEDSA-N 1 0 386.879 3.809 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)c1)O[C@@H](C)C2 ZINC000594983183 858356926 /nfs/dbraw/zinc/35/69/26/858356926.db2.gz GTTJRQDZJRADJR-INIZCTEOSA-N 1 0 378.472 3.686 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC000595056752 858366373 /nfs/dbraw/zinc/36/63/73/858366373.db2.gz VTGYERSHIKNDGY-VXKWHMMOSA-N 1 0 382.529 3.784 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000066954830 858373381 /nfs/dbraw/zinc/37/33/81/858373381.db2.gz ZGHWMPDZSGJXAA-MRXNPFEDSA-N 1 0 381.505 3.830 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccccc1C#N ZINC000046715207 858397818 /nfs/dbraw/zinc/39/78/18/858397818.db2.gz LYEZZOMFWVYSMN-SFHVURJKSA-N 1 0 377.488 3.628 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000439133143 858449761 /nfs/dbraw/zinc/44/97/61/858449761.db2.gz YUSQQFNRUSNQQQ-UHFFFAOYSA-N 1 0 382.389 3.846 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1 ZINC000595242177 858450038 /nfs/dbraw/zinc/45/00/38/858450038.db2.gz IRBONTGVCZOFAO-UGSOOPFHSA-N 1 0 390.821 3.757 20 30 GHEDRO C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@H](c1ccccc1)[NH+](C)C ZINC000439126744 858450626 /nfs/dbraw/zinc/45/06/26/858450626.db2.gz DSJLYSBKRZIHPY-SPLOXXLWSA-N 1 0 375.432 3.540 20 30 GHEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000282336994 858535875 /nfs/dbraw/zinc/53/58/75/858535875.db2.gz OMSLIYJEIGPDHR-UNXYVOJBSA-N 1 0 390.336 3.621 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1csc(Br)c1 ZINC000139950885 863034960 /nfs/dbraw/zinc/03/49/60/863034960.db2.gz PBLYDJAWJZAIHY-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595511029 858548959 /nfs/dbraw/zinc/54/89/59/858548959.db2.gz OJHPWLJDKSQFFB-SFHVURJKSA-N 1 0 376.504 3.626 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115567297 858570833 /nfs/dbraw/zinc/57/08/33/858570833.db2.gz UDNBTCZPJQKWLE-WUJZJPHMSA-N 1 0 388.943 3.735 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000595602421 858628211 /nfs/dbraw/zinc/62/82/11/858628211.db2.gz CCIWCKLSLCARNR-LJQANCHMSA-N 1 0 377.492 3.775 20 30 GHEDRO N#CC[C@@H]1CCC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000595614679 858630961 /nfs/dbraw/zinc/63/09/61/858630961.db2.gz MKIYDAREMHYVJU-AWEZNQCLSA-N 1 0 384.261 3.686 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000115755472 858650914 /nfs/dbraw/zinc/65/09/14/858650914.db2.gz LDDVSUUSMGRQLR-XLIONFOSSA-N 1 0 386.540 3.746 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3ccccc3Cl)CCOCC2)c1 ZINC000595771727 858665767 /nfs/dbraw/zinc/66/57/67/858665767.db2.gz CPWAVLFLRHGZKJ-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO C[C@H]1c2ccccc2C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000595753496 858675503 /nfs/dbraw/zinc/67/55/03/858675503.db2.gz WCYVCTOFUWZJFL-FDDCHVKYSA-N 1 0 388.515 3.504 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)C2CCC(F)CC2)cc1 ZINC000595818738 858682401 /nfs/dbraw/zinc/68/24/01/858682401.db2.gz IAIUIAKKLQJFIU-AOCRQIFASA-N 1 0 375.488 3.838 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000593124893 858694942 /nfs/dbraw/zinc/69/49/42/858694942.db2.gz KPTDJWNUKYAZPC-FKBYEOEOSA-N 1 0 375.472 3.881 20 30 GHEDRO COCC1([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCCC1 ZINC000595909496 858715543 /nfs/dbraw/zinc/71/55/43/858715543.db2.gz PCQXQVDJBXRWAM-INIZCTEOSA-N 1 0 375.538 3.816 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000595877414 858723824 /nfs/dbraw/zinc/72/38/24/858723824.db2.gz TXTBMJMWMAFTOF-HXOBKFHXSA-N 1 0 380.488 3.596 20 30 GHEDRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000595969457 858735083 /nfs/dbraw/zinc/73/50/83/858735083.db2.gz FRGFJSJBZDTWMH-SJLPKXTDSA-N 1 0 383.414 3.530 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)COc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000015692035 858781304 /nfs/dbraw/zinc/78/13/04/858781304.db2.gz XCEARZNOIWCNBY-LJQANCHMSA-N 1 0 383.517 3.588 20 30 GHEDRO Cn1ncc(C#N)c1NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000596130733 858787020 /nfs/dbraw/zinc/78/70/20/858787020.db2.gz FEJPVGZQAJBAPZ-PBHICJAKSA-N 1 0 377.414 3.806 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000733613419 863063462 /nfs/dbraw/zinc/06/34/62/863063462.db2.gz TZGYDWGBMAIJMW-OAQYLSRUSA-N 1 0 380.488 3.643 20 30 GHEDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000183784131 858818525 /nfs/dbraw/zinc/81/85/25/858818525.db2.gz NHRLQFTXHJPNTO-OAHLLOKOSA-N 1 0 391.389 3.960 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596315563 858855081 /nfs/dbraw/zinc/85/50/81/858855081.db2.gz XXRWMYYCNDKDBT-UHFFFAOYSA-N 1 0 386.446 3.688 20 30 GHEDRO Cc1c(Cl)cnc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C#N ZINC000543206124 858858100 /nfs/dbraw/zinc/85/81/00/858858100.db2.gz POYQOLKBGKEARY-GASCZTMLSA-N 1 0 384.911 3.558 20 30 GHEDRO N#Cc1nc(N2CCC([NH2+]CCOc3ccccc3)CC2)ccc1C(F)(F)F ZINC000443522861 858885202 /nfs/dbraw/zinc/88/52/02/858885202.db2.gz NNLQSZYSGNRYDR-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO Cc1noc(C2CC2)c1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593180872 858909368 /nfs/dbraw/zinc/90/93/68/858909368.db2.gz ZETSRCPJZMQRGP-UHFFFAOYSA-N 1 0 379.464 3.518 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3cccc(F)c3)c2CCC)CC1 ZINC000184530841 858954221 /nfs/dbraw/zinc/95/42/21/858954221.db2.gz GCFGTUZTUQYRDK-UHFFFAOYSA-N 1 0 385.487 3.736 20 30 GHEDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000522321856 859044121 /nfs/dbraw/zinc/04/41/21/859044121.db2.gz OGECCFWHOQUVHH-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466303899 859046977 /nfs/dbraw/zinc/04/69/77/859046977.db2.gz ZVVGLBXDOMWRPI-BHDDXSALSA-N 1 0 380.536 3.732 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccnn3-c3ccc(F)cc3)CC2)cc1 ZINC000474110671 859066922 /nfs/dbraw/zinc/06/69/22/859066922.db2.gz PZMIDNCAFZCOLO-UHFFFAOYSA-N 1 0 389.478 3.591 20 30 GHEDRO Cc1ccccc1-n1nccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000474111594 859081352 /nfs/dbraw/zinc/08/13/52/859081352.db2.gz VUWYKERDNDZACW-UHFFFAOYSA-N 1 0 385.515 3.760 20 30 GHEDRO COc1ccc([C@@H]2C[C@H]2CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000596828498 859111771 /nfs/dbraw/zinc/11/17/71/859111771.db2.gz LBNAIVGYAZJFCV-GMAHTHKFSA-N 1 0 391.515 3.651 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000509340876 859112010 /nfs/dbraw/zinc/11/20/10/859112010.db2.gz CNBUUUUATZPGFD-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000596879625 859121638 /nfs/dbraw/zinc/12/16/38/859121638.db2.gz CKMALCMFSWFLIQ-QFIPXVFZSA-N 1 0 394.494 3.893 20 30 GHEDRO COc1cc(C)c(C)cc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000596992074 859231945 /nfs/dbraw/zinc/23/19/45/859231945.db2.gz TZOQNWSRSOVPED-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)c1cccc(OC)c1 ZINC000593301814 859330741 /nfs/dbraw/zinc/33/07/41/859330741.db2.gz JKTDGJBAEBVJJQ-QFIPXVFZSA-N 1 0 392.503 3.675 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@]3(Cc4ccc(Cl)cc4)CCCOC3)n2c1 ZINC000597192455 859332016 /nfs/dbraw/zinc/33/20/16/859332016.db2.gz MQMANJPBGCDTEX-NRFANRHFSA-N 1 0 380.879 3.741 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(-c2ccncc2)n1 ZINC000597224765 859375148 /nfs/dbraw/zinc/37/51/48/859375148.db2.gz JUESNDDIXFVNLM-CTNGQTDRSA-N 1 0 379.508 3.640 20 30 GHEDRO CC(C)(C)OC(=O)C1(NC2CCC(C#N)(c3ccccc3)CC2)CCC([NH3+])CC1 ZINC001170359067 881413426 /nfs/dbraw/zinc/41/34/26/881413426.db2.gz NOVCAMYUWYCKIO-UHFFFAOYSA-N 1 0 397.563 3.962 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cs1 ZINC000895406222 859407743 /nfs/dbraw/zinc/40/77/43/859407743.db2.gz VXEWGQOYWFQEDV-HNNXBMFYSA-N 1 0 385.455 3.633 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000544463106 859417092 /nfs/dbraw/zinc/41/70/92/859417092.db2.gz OGCWRBUISFLUJW-OAHLLOKOSA-N 1 0 385.533 3.978 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)NC[C@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000593333847 859448735 /nfs/dbraw/zinc/44/87/35/859448735.db2.gz WPJGYAASNJSJBU-MRXNPFEDSA-N 1 0 380.517 3.557 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CCc4ccc(F)cc43)CC2)c1 ZINC000593338041 859462932 /nfs/dbraw/zinc/46/29/32/859462932.db2.gz GMWGFUQOTCRODG-JOCHJYFZSA-N 1 0 392.478 3.648 20 30 GHEDRO CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922293098 859471196 /nfs/dbraw/zinc/47/11/96/859471196.db2.gz LLEPKDLGGVBRBT-SJLPKXTDSA-N 1 0 389.297 3.718 20 30 GHEDRO C[C@H](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+]1CCCCC1 ZINC000543382250 859493960 /nfs/dbraw/zinc/49/39/60/859493960.db2.gz YNMHEZFNQKSJPM-QGZVFWFLSA-N 1 0 378.476 3.740 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597388568 859496870 /nfs/dbraw/zinc/49/68/70/859496870.db2.gz QODSSVMVTDRJNR-OAHLLOKOSA-N 1 0 375.463 3.953 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1CCOCC1 ZINC000155947216 859505837 /nfs/dbraw/zinc/50/58/37/859505837.db2.gz IVNGVKUHTFCAII-UHFFFAOYSA-N 1 0 375.538 3.576 20 30 GHEDRO Cc1ccc2c(CC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)coc2c1 ZINC000593352314 859533777 /nfs/dbraw/zinc/53/37/77/859533777.db2.gz GDIKFPYXRLEUAC-UHFFFAOYSA-N 1 0 387.483 3.936 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3ccc(Cl)cc3)CC2)c1 ZINC000593352632 859536201 /nfs/dbraw/zinc/53/62/01/859536201.db2.gz KDQWRCLIBVJBFV-UHFFFAOYSA-N 1 0 381.907 3.925 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3cccc(F)c3F)CC2)c1 ZINC000593354700 859555764 /nfs/dbraw/zinc/55/57/64/859555764.db2.gz KIATZQFPILWSAK-UHFFFAOYSA-N 1 0 383.442 3.550 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(c4ccc(F)cc4)CCC3)CC2)c1 ZINC000593354765 859556846 /nfs/dbraw/zinc/55/68/46/859556846.db2.gz LKNFWUWOQPZXIG-UHFFFAOYSA-N 1 0 391.490 3.900 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCSc4ccccc43)CC2)c1 ZINC000593355017 859558160 /nfs/dbraw/zinc/55/81/60/859558160.db2.gz VRIHIDFUXSPMCK-OAQYLSRUSA-N 1 0 391.540 3.918 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)c3cc(F)c(C#N)c(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000597474510 859561894 /nfs/dbraw/zinc/56/18/94/859561894.db2.gz CBJCGTMJPQNJTK-RTWAWAEBSA-N 1 0 397.425 3.553 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3ccc(Cl)s3)CC2)c1 ZINC000593356223 859568365 /nfs/dbraw/zinc/56/83/65/859568365.db2.gz UWAYOGRUFJOOMX-UHFFFAOYSA-N 1 0 387.936 3.987 20 30 GHEDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC[C@@H](C#N)CCC#N)cc1 ZINC000601966357 859680315 /nfs/dbraw/zinc/68/03/15/859680315.db2.gz CVKZRPLMNFKMNN-FGCOXFRFSA-N 1 0 388.515 3.696 20 30 GHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118016786 859689016 /nfs/dbraw/zinc/68/90/16/859689016.db2.gz UDHCDNZAJWWZAP-IBGZPJMESA-N 1 0 394.475 3.583 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000611323560 859697195 /nfs/dbraw/zinc/69/71/95/859697195.db2.gz WLVSIYDRSCRWPJ-DLBZAZTESA-N 1 0 392.565 3.562 20 30 GHEDRO CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000895601817 859698791 /nfs/dbraw/zinc/69/87/91/859698791.db2.gz XSSCJJWXVSRJPU-KRWDZBQOSA-N 1 0 379.545 3.855 20 30 GHEDRO COC(=O)c1c(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)sc2c1CCCC2 ZINC000611389150 859733383 /nfs/dbraw/zinc/73/33/83/859733383.db2.gz XLSWNGXTABGCFX-ZDUSSCGKSA-N 1 0 397.500 3.574 20 30 GHEDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391838 859735020 /nfs/dbraw/zinc/73/50/20/859735020.db2.gz AZAFSODTAHSQAC-QFIPXVFZSA-N 1 0 397.544 3.553 20 30 GHEDRO COc1ccc([C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N(C)C)cc1OC ZINC000611393481 859735030 /nfs/dbraw/zinc/73/50/30/859735030.db2.gz LGQPYQOCJXBQKV-SFTDATJTSA-N 1 0 379.504 3.845 20 30 GHEDRO COc1ccc([C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)N(C)C)cc1OC ZINC000611393479 859735122 /nfs/dbraw/zinc/73/51/22/859735122.db2.gz LGQPYQOCJXBQKV-NHCUHLMSSA-N 1 0 379.504 3.845 20 30 GHEDRO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000611392904 859735688 /nfs/dbraw/zinc/73/56/88/859735688.db2.gz UURLGXYWNWTMOK-SJCJKPOMSA-N 1 0 380.355 3.810 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 ZINC000593401246 859739693 /nfs/dbraw/zinc/73/96/93/859739693.db2.gz YUHIUBZWCCEHFA-FCHUYYIVSA-N 1 0 392.478 3.517 20 30 GHEDRO COc1ccc([C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000611390235 859740658 /nfs/dbraw/zinc/74/06/58/859740658.db2.gz LJCMEAOVJLAXCG-BJKOFHAPSA-N 1 0 391.515 3.607 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C2(CCO)CCCCC2)c1C#N ZINC000474277327 859750552 /nfs/dbraw/zinc/75/05/52/859750552.db2.gz LGSNEDALIOVCIP-UHFFFAOYSA-N 1 0 386.540 3.705 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000474292701 859771151 /nfs/dbraw/zinc/77/11/51/859771151.db2.gz UONNDQUGKOTMRT-QGZVFWFLSA-N 1 0 385.508 3.558 20 30 GHEDRO N#CC(CCN1CC[NH+](C[C@H]2CCCO2)CC1)(c1ccccc1)c1ccccc1 ZINC000611465179 859777900 /nfs/dbraw/zinc/77/79/00/859777900.db2.gz RVIYBHUNRDVBTF-XMMPIXPASA-N 1 0 389.543 3.683 20 30 GHEDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)c2c1 ZINC000611497993 859785815 /nfs/dbraw/zinc/78/58/15/859785815.db2.gz HSUMLIBTUQJMPK-UHFFFAOYSA-N 1 0 385.471 3.781 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCc4cc(F)ccc43)CC2)c1 ZINC000597818796 859829108 /nfs/dbraw/zinc/82/91/08/859829108.db2.gz GCOIDTDQJIARMJ-JOCHJYFZSA-N 1 0 377.463 3.508 20 30 GHEDRO CSc1nn(-c2ccccc2)c(NC(=O)C2CC[NH+](C(C)C)CC2)c1C#N ZINC000602229093 859877917 /nfs/dbraw/zinc/87/79/17/859877917.db2.gz ZOCKVWBPPDGXDF-UHFFFAOYSA-N 1 0 383.521 3.525 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ncnc4cc(Cl)ccc43)CC2)cc1 ZINC000261368698 859910280 /nfs/dbraw/zinc/91/02/80/859910280.db2.gz JQFWBKUYDCIRDD-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO COC(=O)CCC[NH+]1CCC(=NNC(=S)Nc2ccc(C(C)C)cc2)CC1 ZINC000727059505 859911357 /nfs/dbraw/zinc/91/13/57/859911357.db2.gz PXJMCLMZSQHUAL-UHFFFAOYSA-N 1 0 390.553 3.501 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000765378866 859943347 /nfs/dbraw/zinc/94/33/47/859943347.db2.gz CTSRONNJVMQBHD-AWEZNQCLSA-N 1 0 387.277 3.750 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001127858675 859958007 /nfs/dbraw/zinc/95/80/07/859958007.db2.gz HDYHAETZKBPDPA-UZLBHIALSA-N 1 0 386.417 3.694 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000593496653 860014071 /nfs/dbraw/zinc/01/40/71/860014071.db2.gz VBNBEIVMNKMZSV-RTWAWAEBSA-N 1 0 390.531 3.730 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=S)Nc1ccc2c(c1)OCCCO2)C(C)C ZINC000727272952 860022726 /nfs/dbraw/zinc/02/27/26/860022726.db2.gz AWRXSMPPZINZGQ-SFHVURJKSA-N 1 0 389.565 3.833 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000602519667 860073743 /nfs/dbraw/zinc/07/37/43/860073743.db2.gz DCZHAOSFRYDLBV-KRWDZBQOSA-N 1 0 378.476 3.522 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000060816110 860105919 /nfs/dbraw/zinc/10/59/19/860105919.db2.gz UOIDWXQFFZDLHI-UHFFFAOYSA-N 1 0 390.277 3.768 20 30 GHEDRO Cc1nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc(C(F)(F)F)n1 ZINC000593515605 860124001 /nfs/dbraw/zinc/12/40/01/860124001.db2.gz OIEHHUQWGBSFHY-UHFFFAOYSA-N 1 0 375.398 3.752 20 30 GHEDRO C=CC[N@@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)CCOC ZINC000484570501 860124097 /nfs/dbraw/zinc/12/40/97/860124097.db2.gz KJNQKNDCPNTKOZ-UHFFFAOYSA-N 1 0 383.330 3.919 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000484572530 860124972 /nfs/dbraw/zinc/12/49/72/860124972.db2.gz NFHKLABBHNODSG-NRFANRHFSA-N 1 0 391.506 3.671 20 30 GHEDRO CCOc1cccc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1[N+](=O)[O-] ZINC000593515652 860125035 /nfs/dbraw/zinc/12/50/35/860125035.db2.gz PSJRXQAQVDBPAS-UHFFFAOYSA-N 1 0 380.448 3.942 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000465599469 860153929 /nfs/dbraw/zinc/15/39/29/860153929.db2.gz LZJJMQCPLZOIME-UHFFFAOYSA-N 1 0 380.467 3.683 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000120303205 881506392 /nfs/dbraw/zinc/50/63/92/881506392.db2.gz DZKWFZQNIQQLGR-GOSISDBHSA-N 1 0 394.519 3.528 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000602731727 860240810 /nfs/dbraw/zinc/24/08/10/860240810.db2.gz AXSUFSPMCRIHGO-UHFFFAOYSA-N 1 0 392.551 3.699 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508955913 860254811 /nfs/dbraw/zinc/25/48/11/860254811.db2.gz LAPFNOIVCPKRKM-UHFFFAOYSA-N 1 0 385.581 3.766 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000124198225 860266891 /nfs/dbraw/zinc/26/68/91/860266891.db2.gz DNELNRADLUDHRD-UHFFFAOYSA-N 1 0 397.906 3.793 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000508958540 860271044 /nfs/dbraw/zinc/27/10/44/860271044.db2.gz ARBBENHXSFKPSM-FQEVSTJZSA-N 1 0 388.519 3.627 20 30 GHEDRO C=CCn1c(C2CC2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508965917 860308590 /nfs/dbraw/zinc/30/85/90/860308590.db2.gz XTMCGXBWGZAPCU-SFTDATJTSA-N 1 0 377.536 3.832 20 30 GHEDRO CSc1ccc(CN(C)C(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602910086 860344504 /nfs/dbraw/zinc/34/45/04/860344504.db2.gz DORSVLUTYLKPSC-UHFFFAOYSA-N 1 0 394.544 3.513 20 30 GHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3ccc(C#N)cn3)CC2)C1=O ZINC000602906433 860358113 /nfs/dbraw/zinc/35/81/13/860358113.db2.gz IPWYVOPGFMYWJG-KSFYIVLOSA-N 1 0 392.478 3.634 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000484856751 860411681 /nfs/dbraw/zinc/41/16/81/860411681.db2.gz MIWPURYWGLTOHC-SLFFLAALSA-N 1 0 389.588 3.918 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@H]4Cc5cccc(Cl)c5C4)C3)CC2=O)c1 ZINC001168732218 860445916 /nfs/dbraw/zinc/44/59/16/860445916.db2.gz QTMLADAOJZAYKB-CVDCTZTESA-N 1 0 391.902 3.808 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000329879571 860449168 /nfs/dbraw/zinc/44/91/68/860449168.db2.gz MKLCUXBWDUIVAK-MDZRGWNJSA-N 1 0 378.476 3.691 20 30 GHEDRO N#CCCCn1cc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000603084574 860468166 /nfs/dbraw/zinc/46/81/66/860468166.db2.gz TVUDYEWLXUHHBB-UHFFFAOYSA-N 1 0 387.487 3.693 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cscc1C(F)(F)F ZINC000598814585 860597616 /nfs/dbraw/zinc/59/76/16/860597616.db2.gz JJJIVVHFGGETOR-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000624992291 860654989 /nfs/dbraw/zinc/65/49/89/860654989.db2.gz RFHUOFWWNLCLMX-GOSISDBHSA-N 1 0 397.571 3.725 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156174225 860703277 /nfs/dbraw/zinc/70/32/77/860703277.db2.gz XCCGNWYGXLSHSZ-PGRDOPGGSA-N 1 0 376.504 3.753 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1C ZINC000598975317 860709942 /nfs/dbraw/zinc/70/99/42/860709942.db2.gz WNBVDGAHZICCLJ-UHFFFAOYSA-N 1 0 396.491 3.555 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000599027322 860734878 /nfs/dbraw/zinc/73/48/78/860734878.db2.gz LQCWKVOXKZXLLF-QGZVFWFLSA-N 1 0 386.503 3.673 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000120405696 881585217 /nfs/dbraw/zinc/58/52/17/881585217.db2.gz AWMDGWLHJSYHJJ-UHFFFAOYSA-N 1 0 378.516 3.919 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C3CCN(CCC(F)(F)F)CC3)CC2)c1 ZINC000593691723 860883509 /nfs/dbraw/zinc/88/35/09/860883509.db2.gz JSHHRJIJVGRNBV-UHFFFAOYSA-N 1 0 394.485 3.529 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1OC ZINC000623338481 860898900 /nfs/dbraw/zinc/89/89/00/860898900.db2.gz BGPMWEJJELIJLB-UHFFFAOYSA-N 1 0 375.852 3.974 20 30 GHEDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)N1CCCC1 ZINC000237267379 860912112 /nfs/dbraw/zinc/91/21/12/860912112.db2.gz ORERTFKNEYULMS-GCJKJVERSA-N 1 0 379.504 3.913 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cccc(C(=O)NCC)c2)cc1OC ZINC000623369993 860930802 /nfs/dbraw/zinc/93/08/02/860930802.db2.gz YVGRWHUHJDXGQU-UHFFFAOYSA-N 1 0 388.895 3.953 20 30 GHEDRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000329033973 860962991 /nfs/dbraw/zinc/96/29/91/860962991.db2.gz BVNKTTOIYCFDND-MOPGFXCFSA-N 1 0 387.524 3.659 20 30 GHEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000170911548 860970250 /nfs/dbraw/zinc/97/02/50/860970250.db2.gz FQNBDIMQOXIIAF-INIZCTEOSA-N 1 0 379.430 3.910 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1OC ZINC000623385963 860971756 /nfs/dbraw/zinc/97/17/56/860971756.db2.gz FBCOYPFRRVLIPP-ZDUSSCGKSA-N 1 0 378.822 3.640 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CCOCC1 ZINC000599259591 860990809 /nfs/dbraw/zinc/99/08/09/860990809.db2.gz NEERQKDQNUSVBF-SFHVURJKSA-N 1 0 382.426 3.741 20 30 GHEDRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599273130 860997681 /nfs/dbraw/zinc/99/76/81/860997681.db2.gz OECFUDNPCRGRAW-SFHVURJKSA-N 1 0 395.341 3.731 20 30 GHEDRO CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000329078824 860999090 /nfs/dbraw/zinc/99/90/90/860999090.db2.gz QPMDFGVUBZPJEH-LEWJYISDSA-N 1 0 386.540 3.555 20 30 GHEDRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C#N)nc1 ZINC000600099464 861016357 /nfs/dbraw/zinc/01/63/57/861016357.db2.gz UHIWGRAYSATNFO-UHFFFAOYSA-N 1 0 398.938 3.910 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000599268167 861017651 /nfs/dbraw/zinc/01/76/51/861017651.db2.gz CISSWFPFEOCOLW-MSOLQXFVSA-N 1 0 393.325 3.657 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CCOCC1 ZINC000599268170 861017817 /nfs/dbraw/zinc/01/78/17/861017817.db2.gz CISSWFPFEOCOLW-ZWKOTPCHSA-N 1 0 393.325 3.657 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1OC ZINC000593723371 861020948 /nfs/dbraw/zinc/02/09/48/861020948.db2.gz UQTFWSFIDGEJEC-QGZVFWFLSA-N 1 0 379.504 3.891 20 30 GHEDRO COCCOc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000593723779 861040186 /nfs/dbraw/zinc/04/01/86/861040186.db2.gz YWSKTLNNUCZXOO-IBGZPJMESA-N 1 0 393.531 3.899 20 30 GHEDRO C=CCOc1cccc(C[N@@H+](CC=C)[C@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000537629600 881607208 /nfs/dbraw/zinc/60/72/08/881607208.db2.gz QDMHIXYWXGDYLS-GOSISDBHSA-N 1 0 375.476 3.976 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1cccc(C#N)c1 ZINC000599349706 861087442 /nfs/dbraw/zinc/08/74/42/861087442.db2.gz QOKQDKSVHJLCEM-KZULUSFZSA-N 1 0 384.277 3.925 20 30 GHEDRO C[C@H](CNC(=O)CCC(=O)N1CCSc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000329176902 861103479 /nfs/dbraw/zinc/10/34/79/861103479.db2.gz MYKSOPCJNCCXCB-IAGOWNOFSA-N 1 0 389.565 3.982 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000599359197 861125691 /nfs/dbraw/zinc/12/56/91/861125691.db2.gz LDPXKVLOTLGXJP-UGKGYDQZSA-N 1 0 378.516 3.868 20 30 GHEDRO CC[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cc(F)cc(Br)c1 ZINC000599382763 861146374 /nfs/dbraw/zinc/14/63/74/861146374.db2.gz YZIUOXTZTCWNQE-SJORKVTESA-N 1 0 399.304 3.700 20 30 GHEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000599386490 861151464 /nfs/dbraw/zinc/15/14/64/861151464.db2.gz VTQUNQIKKLYXKO-WMZOPIPTSA-N 1 0 378.394 3.890 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599416338 861160000 /nfs/dbraw/zinc/16/00/00/861160000.db2.gz IGOADDBMEJRGKS-NVXWUHKLSA-N 1 0 384.442 3.640 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000599411662 861181030 /nfs/dbraw/zinc/18/10/30/861181030.db2.gz BPIMODMKIGTDAU-IEBWSBKVSA-N 1 0 396.453 3.956 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000189140140 881622489 /nfs/dbraw/zinc/62/24/89/881622489.db2.gz ZZBYPAAAGDXTHA-UHFFFAOYSA-N 1 0 388.256 3.889 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C)c(S(C)(=O)=O)c2)cc1Cl ZINC000444002352 863124552 /nfs/dbraw/zinc/12/45/52/863124552.db2.gz NTNILKVRZAYSLC-UHFFFAOYSA-N 1 0 379.909 3.907 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733778599 863158744 /nfs/dbraw/zinc/15/87/44/863158744.db2.gz DEBPSVZNSVKHCB-MJGOQNOKSA-N 1 0 394.519 3.977 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)cc(OC)c1O ZINC000482490406 863212568 /nfs/dbraw/zinc/21/25/68/863212568.db2.gz NTHMTFSFXSEQDH-LSWJPFSZSA-N 1 0 383.488 3.844 20 30 GHEDRO CC[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000159985403 863220572 /nfs/dbraw/zinc/22/05/72/863220572.db2.gz HUOBDJCQALALFF-HRAATJIYSA-N 1 0 396.514 3.595 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)ccc1C#N ZINC000281632294 863294509 /nfs/dbraw/zinc/29/45/09/863294509.db2.gz IKBOETKQVAQSAF-HXOBKFHXSA-N 1 0 380.488 3.982 20 30 GHEDRO C=CCOc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000182875451 863387827 /nfs/dbraw/zinc/38/78/27/863387827.db2.gz FEAYEIVKLVJPMG-NRFANRHFSA-N 1 0 395.503 3.530 20 30 GHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C1)CCCC2 ZINC000281890936 863451624 /nfs/dbraw/zinc/45/16/24/863451624.db2.gz PGRJFLHDUJNWNH-IBGZPJMESA-N 1 0 376.504 3.959 20 30 GHEDRO CCCc1c(NC(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439708540 863553887 /nfs/dbraw/zinc/55/38/87/863553887.db2.gz YSIKPVCWYRSUKA-IRXDYDNUSA-N 1 0 394.523 3.643 20 30 GHEDRO C[C@@H]([NH2+]CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000856733241 881699227 /nfs/dbraw/zinc/69/92/27/881699227.db2.gz UBTKSWOBOPCBCG-LEKKZIBYSA-N 1 0 385.508 3.502 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870423 863840976 /nfs/dbraw/zinc/84/09/76/863840976.db2.gz SUSKVOUSEIASKP-FQEVSTJZSA-N 1 0 394.515 3.997 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000606844040 863874928 /nfs/dbraw/zinc/87/49/28/863874928.db2.gz VGEIZIWCJBWGRG-MRXNPFEDSA-N 1 0 382.426 3.971 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCCO1 ZINC000594041561 863876961 /nfs/dbraw/zinc/87/69/61/863876961.db2.gz FUPQEAXFTAUASP-DLBZAZTESA-N 1 0 375.538 3.764 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103319331 863957248 /nfs/dbraw/zinc/95/72/48/863957248.db2.gz BZVDESWIOGWYLN-HSZRJFAPSA-N 1 0 377.532 3.949 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)s2)cc1 ZINC000594060189 863969703 /nfs/dbraw/zinc/96/97/03/863969703.db2.gz FLIXBYIPWIDUJT-MOPGFXCFSA-N 1 0 395.532 3.744 20 30 GHEDRO C=CC[N@H+](Cc1cn(-c2ccccc2)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630699 881729134 /nfs/dbraw/zinc/72/91/34/881729134.db2.gz UBMVFGDSTOKXIC-IBGZPJMESA-N 1 0 399.502 3.906 20 30 GHEDRO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000896966426 864172814 /nfs/dbraw/zinc/17/28/14/864172814.db2.gz WULKJBZKOZRDGD-UHFFFAOYSA-N 1 0 397.441 3.744 20 30 GHEDRO CC[N@H+](C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000508471853 864292596 /nfs/dbraw/zinc/29/25/96/864292596.db2.gz NQBKXMXFKUVLLK-QFIPXVFZSA-N 1 0 377.488 3.621 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(CO)CCC2)cc1OCC ZINC000184369511 864391544 /nfs/dbraw/zinc/39/15/44/864391544.db2.gz VNTULOMTLIQFEB-UHFFFAOYSA-N 1 0 384.314 3.665 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000475174225 864399364 /nfs/dbraw/zinc/39/93/64/864399364.db2.gz ISJPMXOIPKWZEX-KRWDZBQOSA-N 1 0 385.552 3.666 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508793515 864474924 /nfs/dbraw/zinc/47/49/24/864474924.db2.gz IENWZBKHDBRJFQ-IEBWSBKVSA-N 1 0 399.514 3.808 20 30 GHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000186258589 864513453 /nfs/dbraw/zinc/51/34/53/864513453.db2.gz OEWQHULDCNSHGK-QGZVFWFLSA-N 1 0 381.476 3.725 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000554609692 864605790 /nfs/dbraw/zinc/60/57/90/864605790.db2.gz RACAFZOMEVECFX-LJQANCHMSA-N 1 0 390.535 3.601 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCc2ccccc2Br)CC1 ZINC000164417699 864612418 /nfs/dbraw/zinc/61/24/18/864612418.db2.gz DXBRUMHMPVDGAQ-UHFFFAOYSA-N 1 0 379.342 3.929 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)ccc1OC ZINC000480462753 864698546 /nfs/dbraw/zinc/69/85/46/864698546.db2.gz DEGYNLRGXSGQRF-OAQYLSRUSA-N 1 0 394.515 3.849 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](CCC)CC1 ZINC000508793063 864755064 /nfs/dbraw/zinc/75/50/64/864755064.db2.gz OORPOGXCQJRSSC-MRXNPFEDSA-N 1 0 389.931 3.790 20 30 GHEDRO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCn1cc(Br)cn1 ZINC000554749097 864851147 /nfs/dbraw/zinc/85/11/47/864851147.db2.gz LDPRZHWLYGGHGY-UHFFFAOYSA-N 1 0 386.215 3.648 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC[C@@H]21 ZINC000154721671 864875210 /nfs/dbraw/zinc/87/52/10/864875210.db2.gz OXZSCLKJORSUMU-VXKWHMMOSA-N 1 0 389.499 3.694 20 30 GHEDRO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000554840868 865031067 /nfs/dbraw/zinc/03/10/67/865031067.db2.gz FWFOHDZFZQYCFK-AWEZNQCLSA-N 1 0 392.484 3.980 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)COc3cccc(C#N)c3)CCC[N@@H+]2C)cc1 ZINC000735899335 865039605 /nfs/dbraw/zinc/03/96/05/865039605.db2.gz UNISFAWXYVVNDD-WMZHIEFXSA-N 1 0 394.471 3.572 20 30 GHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000554931599 865164221 /nfs/dbraw/zinc/16/42/21/865164221.db2.gz GRNGQVHPQAGIQR-UHFFFAOYSA-N 1 0 395.551 3.636 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000747094225 881850735 /nfs/dbraw/zinc/85/07/35/881850735.db2.gz FKMBYWFPYZXLRM-IBGZPJMESA-N 1 0 393.409 3.758 20 30 GHEDRO COCCN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000063754539 865302479 /nfs/dbraw/zinc/30/24/79/865302479.db2.gz KWEWZCNEPMCVRN-UHFFFAOYSA-N 1 0 391.393 3.664 20 30 GHEDRO CC(C)[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccc(C#N)cc1 ZINC000063750742 865305866 /nfs/dbraw/zinc/30/58/66/865305866.db2.gz WQCQYGVTXSEKBW-UHFFFAOYSA-N 1 0 386.499 3.835 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCCC(C)C)c(OC)c2)CC1 ZINC000171709872 865339075 /nfs/dbraw/zinc/33/90/75/865339075.db2.gz QACYMLILBCZMCG-UHFFFAOYSA-N 1 0 389.540 3.570 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000171719919 865343085 /nfs/dbraw/zinc/34/30/85/865343085.db2.gz HJMIQSUZZRFTNK-UHFFFAOYSA-N 1 0 377.326 3.637 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCSc2ccccc2Br)CC1 ZINC000171718392 865343599 /nfs/dbraw/zinc/34/35/99/865343599.db2.gz HYZDQCDHOBJQBC-UHFFFAOYSA-N 1 0 383.355 3.698 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000171723610 865344861 /nfs/dbraw/zinc/34/48/61/865344861.db2.gz UTICOJCPNIFTAW-UHFFFAOYSA-N 1 0 392.528 3.981 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC001168425019 865462915 /nfs/dbraw/zinc/46/29/15/865462915.db2.gz ZFRBIDUKZGHKRR-FUHWJXTLSA-N 1 0 393.325 3.530 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnc3ccc(Cl)cn23)ccc1OC ZINC000738429709 865540215 /nfs/dbraw/zinc/54/02/15/865540215.db2.gz COYVFRYWLHOJFR-QGZVFWFLSA-N 1 0 384.867 3.967 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000594304621 865739440 /nfs/dbraw/zinc/73/94/40/865739440.db2.gz UMOIVSFIKQAVJM-PMACEKPBSA-N 1 0 375.516 3.860 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000739990593 865820892 /nfs/dbraw/zinc/82/08/92/865820892.db2.gz RLRTWWCGRSVFMF-JPYJTQIMSA-N 1 0 391.515 3.794 20 30 GHEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000739911708 865826757 /nfs/dbraw/zinc/82/67/57/865826757.db2.gz AMFJLWLOFIIXJE-QHCPKHFHSA-N 1 0 391.515 3.616 20 30 GHEDRO [NH2+]=C(NCCc1cc(Br)ccc1F)N[C@@H]1CCOc2ccccc21 ZINC000262510685 865933249 /nfs/dbraw/zinc/93/32/49/865933249.db2.gz MDQFJDQARRCFHM-MRXNPFEDSA-N 1 0 392.272 3.559 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2oc3ccc(Br)cc3c2C)CC1 ZINC000740738829 865988077 /nfs/dbraw/zinc/98/80/77/865988077.db2.gz ONWLIUVCGTYFCZ-UHFFFAOYSA-N 1 0 389.293 3.721 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000740748274 865993944 /nfs/dbraw/zinc/99/39/44/865993944.db2.gz BAZXRIRSZWKVRU-UHFFFAOYSA-N 1 0 394.902 3.789 20 30 GHEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000600036674 866089647 /nfs/dbraw/zinc/08/96/47/866089647.db2.gz YILHXHGHEOWBAQ-MTQWCTHYSA-N 1 0 379.529 3.772 20 30 GHEDRO CO[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000262516715 866110890 /nfs/dbraw/zinc/11/08/90/866110890.db2.gz GOBVPSOFYNKXNQ-SFHVURJKSA-N 1 0 375.856 3.616 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)/C=C\c3ccccc3C#N)CC[N@@H+]2C)cc1 ZINC000741120856 866242274 /nfs/dbraw/zinc/24/22/74/866242274.db2.gz NCLBONKIXBIZQO-NRQJEYIISA-N 1 0 376.456 3.816 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1-n1cccn1 ZINC000183165452 866313074 /nfs/dbraw/zinc/31/30/74/866313074.db2.gz IUZZTIUNAYWUAF-CQSZACIVSA-N 1 0 379.851 3.687 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NCc2cc(OC)c(OC)cc2Br)cc1 ZINC000303988864 866438768 /nfs/dbraw/zinc/43/87/68/866438768.db2.gz WVLKJAKAZNHULF-UHFFFAOYSA-N 1 0 392.297 3.956 20 30 GHEDRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193078007 866582973 /nfs/dbraw/zinc/58/29/73/866582973.db2.gz PTQURECKKUFIJP-OAQYLSRUSA-N 1 0 375.516 3.687 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000151126195 866747621 /nfs/dbraw/zinc/74/76/21/866747621.db2.gz NSIDNTOOFKVXBB-PAYONLEZSA-N 1 0 387.549 3.763 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508498253 866763618 /nfs/dbraw/zinc/76/36/18/866763618.db2.gz QUYDJSWHIBWNTP-UHFFFAOYSA-N 1 0 385.943 3.773 20 30 GHEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCCCC(C)(C)C#N ZINC000444685165 867030689 /nfs/dbraw/zinc/03/06/89/867030689.db2.gz QMVQJNZJSJXGHE-QGZVFWFLSA-N 1 0 377.554 3.939 20 30 GHEDRO Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000742134842 867068936 /nfs/dbraw/zinc/06/89/36/867068936.db2.gz GXHMKXLOAVOZEI-FQEVSTJZSA-N 1 0 378.520 3.912 20 30 GHEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CCCC1(C)C ZINC000444792963 867255461 /nfs/dbraw/zinc/25/54/61/867255461.db2.gz QVNQMYLKDXSJLW-GOSISDBHSA-N 1 0 396.539 3.593 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000050032909 882063106 /nfs/dbraw/zinc/06/31/06/882063106.db2.gz JZLQRCZESAYAKC-GOSISDBHSA-N 1 0 376.504 3.518 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC2)cc1 ZINC000553459999 867462864 /nfs/dbraw/zinc/46/28/64/867462864.db2.gz LRRKNAUXEPDWCL-DEOSSOPVSA-N 1 0 385.511 3.714 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(C#N)c(OC)c3)CCN2C2CC2)c1 ZINC000440610405 867502481 /nfs/dbraw/zinc/50/24/81/867502481.db2.gz DGKGYZINMHZHHT-GGAORHGYSA-N 1 0 377.488 3.643 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909614318 867579183 /nfs/dbraw/zinc/57/91/83/867579183.db2.gz JYMQHWBEPBXERT-UHFFFAOYSA-N 1 0 381.476 3.735 20 30 GHEDRO C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)[N@H+](C)Cc1ccccc1 ZINC000523632838 867646764 /nfs/dbraw/zinc/64/67/64/867646764.db2.gz LUARNXOKBZTZEO-AWEZNQCLSA-N 1 0 388.418 3.802 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000457138337 867752043 /nfs/dbraw/zinc/75/20/43/867752043.db2.gz XOIKQCTZYUUXPE-OAQYLSRUSA-N 1 0 377.488 3.692 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cnn(-c2ccccc2)c1)[n+]1cccc(C)c1 ZINC000743053845 867788997 /nfs/dbraw/zinc/78/89/97/867788997.db2.gz ZHSPFYUYUBIGIR-UHFFFAOYSA-O 1 0 391.520 3.845 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(=NNc1nc3cccnc3s1)c1ccccc1O2 ZINC000857218777 882119569 /nfs/dbraw/zinc/11/95/69/882119569.db2.gz QMUJDIAJYLKCDD-UHFFFAOYSA-N 1 0 379.489 3.754 20 30 GHEDRO N#CCOc1ccc(CC(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000114990189 882126636 /nfs/dbraw/zinc/12/66/36/882126636.db2.gz SHNHJRPUXNSPAA-NRFANRHFSA-N 1 0 378.472 3.587 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000743152290 867880649 /nfs/dbraw/zinc/88/06/49/867880649.db2.gz REZSLNWFGHREQN-HXUWFJFHSA-N 1 0 377.488 3.684 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000743204048 867925290 /nfs/dbraw/zinc/92/52/90/867925290.db2.gz UZNOPDAMNKJOBU-HXUWFJFHSA-N 1 0 381.451 3.796 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000553682522 867929020 /nfs/dbraw/zinc/92/90/20/867929020.db2.gz IYEITRJJZAPMQV-KNQAVFIVSA-N 1 0 393.531 3.961 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCOC2)O1 ZINC000475623631 867942572 /nfs/dbraw/zinc/94/25/72/867942572.db2.gz RIXKVCOXLODRRE-VWNXMTODSA-N 1 0 392.499 3.907 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000743200272 867951403 /nfs/dbraw/zinc/95/14/03/867951403.db2.gz XTLPYOQGSWKLME-UHFFFAOYSA-N 1 0 383.467 3.953 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000743201097 867952844 /nfs/dbraw/zinc/95/28/44/867952844.db2.gz FEGKMPPDIRBVAP-IBGZPJMESA-N 1 0 395.478 3.524 20 30 GHEDRO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000743266251 868040830 /nfs/dbraw/zinc/04/08/30/868040830.db2.gz BFSLOORVUMPITM-QFIPXVFZSA-N 1 0 377.488 3.559 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)CC1 ZINC000155835956 868135479 /nfs/dbraw/zinc/13/54/79/868135479.db2.gz YAJMLASAFXZRLO-MRXNPFEDSA-N 1 0 391.384 3.908 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609071641 868173597 /nfs/dbraw/zinc/17/35/97/868173597.db2.gz NLRMSHYIVBHRNU-KSZLIROESA-N 1 0 395.503 3.826 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000479592235 868194095 /nfs/dbraw/zinc/19/40/95/868194095.db2.gz MYMRNGGTQKBPNT-CRAIPNDOSA-N 1 0 390.409 3.718 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(C#N)cc1 ZINC000553799771 868211263 /nfs/dbraw/zinc/21/12/63/868211263.db2.gz QMSZJWWDXZGBEF-YADARESESA-N 1 0 388.515 3.927 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCOC2)O1 ZINC000475627144 868392584 /nfs/dbraw/zinc/39/25/84/868392584.db2.gz ONHFNHILZMONCD-JPYJTQIMSA-N 1 0 378.472 3.517 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793446127 882189061 /nfs/dbraw/zinc/18/90/61/882189061.db2.gz UGZBSFRNBFTLBI-UHFFFAOYSA-N 1 0 399.535 3.755 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](c2ccccc2F)C1)C(C)C ZINC000524178821 868662379 /nfs/dbraw/zinc/66/23/79/868662379.db2.gz WOZJOKLZDIPWJG-SFTDATJTSA-N 1 0 389.515 3.607 20 30 GHEDRO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000262779237 882222739 /nfs/dbraw/zinc/22/27/39/882222739.db2.gz ITTSKLKNUZNTRL-CABCVRRESA-N 1 0 389.402 3.732 20 30 GHEDRO C[N@H+](CCOc1cccc(CNc2cccc(F)c2C#N)c1)C1CCOCC1 ZINC000609075189 868770489 /nfs/dbraw/zinc/77/04/89/868770489.db2.gz SVPDXWKDBQQNOM-UHFFFAOYSA-N 1 0 383.467 3.799 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000744391940 868786577 /nfs/dbraw/zinc/78/65/77/868786577.db2.gz QHQSOAJLEYMMID-UHFFFAOYSA-N 1 0 386.499 3.907 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1cccc(Cl)c1 ZINC000128350079 868804527 /nfs/dbraw/zinc/80/45/27/868804527.db2.gz VFRKQWZPFMSCFM-RTBURBONSA-N 1 0 385.899 3.557 20 30 GHEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670201656 882231051 /nfs/dbraw/zinc/23/10/51/882231051.db2.gz CRECKFYLPZRFBQ-GIVPXCGWSA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181523802 868833988 /nfs/dbraw/zinc/83/39/88/868833988.db2.gz SWEAYSTZACCOKY-INIZCTEOSA-N 1 0 393.516 3.835 20 30 GHEDRO C=CCC[C@H](NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000535520220 868894058 /nfs/dbraw/zinc/89/40/58/868894058.db2.gz OZBFFZNPYLQNKO-VJBWXMMDSA-N 1 0 393.531 3.629 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000537636960 882250776 /nfs/dbraw/zinc/25/07/76/882250776.db2.gz VNOGWVDTYUYOAS-HSZRJFAPSA-N 1 0 391.515 3.828 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000524415991 869040225 /nfs/dbraw/zinc/04/02/25/869040225.db2.gz CLWOLKGLQIWPIX-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO C[N@H+](CCCNC(=O)Nc1cc(C#N)ccc1OC(F)F)Cc1ccccc1 ZINC000524434822 869054392 /nfs/dbraw/zinc/05/43/92/869054392.db2.gz MOGJZULQGPFKDW-UHFFFAOYSA-N 1 0 388.418 3.803 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508850379 869069367 /nfs/dbraw/zinc/06/93/67/869069367.db2.gz UUVPUOZVFIXUAF-UTKZUKDTSA-N 1 0 385.508 3.551 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000524451519 869101460 /nfs/dbraw/zinc/10/14/60/869101460.db2.gz JZSINSAFPZAHAH-NQIIRXRSSA-N 1 0 397.544 3.713 20 30 GHEDRO C#CCN(C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCCCC1 ZINC000744834633 869116192 /nfs/dbraw/zinc/11/61/92/869116192.db2.gz YHYCHZKIEYMLNU-BGYRXZFFSA-N 1 0 397.563 3.773 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000504086610 869128479 /nfs/dbraw/zinc/12/84/79/869128479.db2.gz TXDIMQWXWOEAIL-UHFFFAOYSA-N 1 0 385.552 3.714 20 30 GHEDRO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(Cl)s2)cc1C#N ZINC001272295693 869251227 /nfs/dbraw/zinc/25/12/27/869251227.db2.gz PVMNQGJYZWXKLL-GOOCMWNKSA-N 1 0 388.924 3.537 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445991481 869260384 /nfs/dbraw/zinc/26/03/84/869260384.db2.gz LSCITOUJPQDSHN-SCTDSRPQSA-N 1 0 381.442 3.986 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 ZINC000475638533 869329088 /nfs/dbraw/zinc/32/90/88/869329088.db2.gz KAEXXOSVVCWZDZ-UHFFFAOYSA-N 1 0 390.578 3.728 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000539609119 869438066 /nfs/dbraw/zinc/43/80/66/869438066.db2.gz BCIRSICCQZIRSA-BLLLJJGKSA-N 1 0 382.357 3.807 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000609100501 869553115 /nfs/dbraw/zinc/55/31/15/869553115.db2.gz TXZZTLXKBISNDE-GOTSBHOMSA-N 1 0 390.531 3.509 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O)C(C)C ZINC000539713920 869656261 /nfs/dbraw/zinc/65/62/61/869656261.db2.gz MBALHRWUXBEFMW-PVIWCNJMSA-N 1 0 391.600 3.656 20 30 GHEDRO N#Cc1nnc2ccccc2c1NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000524848924 869672124 /nfs/dbraw/zinc/67/21/24/869672124.db2.gz STVSWOJURYEMCT-UHFFFAOYSA-N 1 0 386.503 3.516 20 30 GHEDRO CSc1ccc(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000524850382 869673506 /nfs/dbraw/zinc/67/35/06/869673506.db2.gz JXJHEOZYVVHJJN-QGZVFWFLSA-N 1 0 397.544 3.638 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000539727956 869680301 /nfs/dbraw/zinc/68/03/01/869680301.db2.gz GEYWZBJTPIZYMU-NRFANRHFSA-N 1 0 398.551 3.921 20 30 GHEDRO COc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3C#N)CC1)O[C@@H](C)C2 ZINC000539838180 869856324 /nfs/dbraw/zinc/85/63/24/869856324.db2.gz CWVQWIYBKTZHMN-KRWDZBQOSA-N 1 0 377.488 3.603 20 30 GHEDRO N#Cc1ccncc1N1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000793671710 882358628 /nfs/dbraw/zinc/35/86/28/882358628.db2.gz CIRWSOYFRCRRKK-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000539896915 869986460 /nfs/dbraw/zinc/98/64/60/869986460.db2.gz UEUHSXGUHCDQTO-FQEVSTJZSA-N 1 0 387.487 3.641 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000525123986 870025123 /nfs/dbraw/zinc/02/51/23/870025123.db2.gz GVYLLSKEUCBINB-PZJWPPBQSA-N 1 0 391.515 3.895 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508863701 870173040 /nfs/dbraw/zinc/17/30/40/870173040.db2.gz KZCPOECXSIULAN-UHFFFAOYSA-N 1 0 389.931 3.571 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)c(C)c2)CC1 ZINC000538650093 870255603 /nfs/dbraw/zinc/25/56/03/870255603.db2.gz LMEXYZFTDVVYPW-UHFFFAOYSA-N 1 0 382.895 3.914 20 30 GHEDRO C[C@H](Cn1ccc2ccccc21)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000508572905 870380779 /nfs/dbraw/zinc/38/07/79/870380779.db2.gz YDLQKMSXQPUDLQ-LJQANCHMSA-N 1 0 388.515 3.739 20 30 GHEDRO C=CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732176 870463054 /nfs/dbraw/zinc/46/30/54/870463054.db2.gz QCMKTSNEFTWAMQ-PYUISTEWSA-N 1 0 390.447 3.833 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793771589 882426210 /nfs/dbraw/zinc/42/62/10/882426210.db2.gz YZBWQHXCJYJMCK-OAQYLSRUSA-N 1 0 383.565 3.561 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](C)[C@H](C)C2)c1=S ZINC000766374496 870681770 /nfs/dbraw/zinc/68/17/70/870681770.db2.gz PRLKEZHHAZFTOB-QZTJIDSGSA-N 1 0 377.602 3.564 20 30 GHEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 ZINC000248942647 870697501 /nfs/dbraw/zinc/69/75/01/870697501.db2.gz YYGKSUOVKFMBNL-MNEFBYGVSA-N 1 0 381.442 3.751 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc(OC)c1O ZINC000463036110 870712139 /nfs/dbraw/zinc/71/21/39/870712139.db2.gz JHKYHCADHHTGKG-DEOSSOPVSA-N 1 0 381.516 3.947 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000746448524 870745007 /nfs/dbraw/zinc/74/50/07/870745007.db2.gz DOIIGLDPDIJFHY-FPOVZHCZSA-N 1 0 398.551 3.516 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000249080148 870747480 /nfs/dbraw/zinc/74/74/80/870747480.db2.gz RNIUVALJCWTRLA-ZNLUXHQJSA-N 1 0 389.442 3.553 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1)CC(C)C ZINC000540233799 870815638 /nfs/dbraw/zinc/81/56/38/870815638.db2.gz NYDQMYBNSLJTMA-IBGZPJMESA-N 1 0 385.552 3.932 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)cnc2-n2cc3c(n2)CC[C@H]([NH3+])C3)c1 ZINC001168816103 870834179 /nfs/dbraw/zinc/83/41/79/870834179.db2.gz NEGJPMQYJVUVTR-INIZCTEOSA-N 1 0 383.377 3.641 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000133809128 882454801 /nfs/dbraw/zinc/45/48/01/882454801.db2.gz ZKFAJYNXEOSOBD-UHFFFAOYSA-N 1 0 385.483 3.794 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC001193154814 870924833 /nfs/dbraw/zinc/92/48/33/870924833.db2.gz WSZPTZJYNCWIFC-MRXNPFEDSA-N 1 0 380.467 3.722 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](c3ccco3)N3CCCCC3)CC2)cc1 ZINC000181398630 870974434 /nfs/dbraw/zinc/97/44/34/870974434.db2.gz FDXXNJRSNAYPLM-QHCPKHFHSA-N 1 0 392.547 3.932 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(NC2CCN(C(=O)Nc3ccccc3)CC2)cc1C#N ZINC001168937946 871021771 /nfs/dbraw/zinc/02/17/71/871021771.db2.gz HIAODGNUXSQFNV-LFVJCYFKSA-N 1 0 390.491 3.888 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c1 ZINC000429701079 871049875 /nfs/dbraw/zinc/04/98/75/871049875.db2.gz JVQRTXLMXMFMPT-HSZRJFAPSA-N 1 0 393.531 3.900 20 30 GHEDRO N#Cc1cncc(Br)c1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001168996758 871080559 /nfs/dbraw/zinc/08/05/59/871080559.db2.gz YGZBHWUGSBBCQT-UHFFFAOYSA-N 1 0 390.672 3.599 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000540378318 871114569 /nfs/dbraw/zinc/11/45/69/871114569.db2.gz FLBOPRNMVWHHCP-RTBURBONSA-N 1 0 390.325 3.688 20 30 GHEDRO C[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000461896720 871182704 /nfs/dbraw/zinc/18/27/04/871182704.db2.gz YLXVWBMEDJKWHP-CEXWTWQISA-N 1 0 391.515 3.587 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000539052911 871182753 /nfs/dbraw/zinc/18/27/53/871182753.db2.gz AKFLUPRRMYDCFX-IYGKJRJHSA-N 1 0 389.543 3.616 20 30 GHEDRO CC(C)[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000461903469 871207963 /nfs/dbraw/zinc/20/79/63/871207963.db2.gz ULDBCDCISZREKA-JPYJTQIMSA-N 1 0 375.516 3.861 20 30 GHEDRO COc1ccccc1C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC001169124213 871215378 /nfs/dbraw/zinc/21/53/78/871215378.db2.gz NGRVVMNHENAGFT-VXKWHMMOSA-N 1 0 391.515 3.919 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@H](COc2ccccc2)c2ccccc2)CCCCC1 ZINC000540417058 871223204 /nfs/dbraw/zinc/22/32/04/871223204.db2.gz JFNOHXNGTRPJLE-OAQYLSRUSA-N 1 0 377.488 3.739 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC=C1C(=O)CC2(CCCCC2)CC1=O ZINC000920980350 882498206 /nfs/dbraw/zinc/49/82/06/882498206.db2.gz JVZHJVHMELKAQZ-UHFFFAOYSA-N 1 0 395.547 3.925 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(OC)cc1 ZINC000181650872 871336611 /nfs/dbraw/zinc/33/66/11/871336611.db2.gz QAYIABPEFUQXGI-UHFFFAOYSA-N 1 0 387.411 3.759 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169307613 871403939 /nfs/dbraw/zinc/40/39/39/871403939.db2.gz PVNQKYSEELYUKB-XEVCZEQESA-N 1 0 386.492 3.531 20 30 GHEDRO CN(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000181755011 871461290 /nfs/dbraw/zinc/46/12/90/871461290.db2.gz JAPLFRUXDSDLQJ-QFIPXVFZSA-N 1 0 398.501 3.693 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000181827740 871526230 /nfs/dbraw/zinc/52/62/30/871526230.db2.gz DFKZGDGWQRJJIL-UHFFFAOYSA-N 1 0 386.499 3.869 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447395132 871528276 /nfs/dbraw/zinc/52/82/76/871528276.db2.gz RWVXGIYVHVQEQO-SFHVURJKSA-N 1 0 388.556 3.852 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000462057949 871534207 /nfs/dbraw/zinc/53/42/07/871534207.db2.gz LBBQUNPNWXPNMI-UHFFFAOYSA-N 1 0 379.382 3.741 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000181901745 871604263 /nfs/dbraw/zinc/60/42/63/871604263.db2.gz SAFQXCUXWSVGQN-IGKWTDBASA-N 1 0 393.531 3.919 20 30 GHEDRO CCCc1c(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000525889974 871637271 /nfs/dbraw/zinc/63/72/71/871637271.db2.gz GHLPBBBZBLZGPT-GOSISDBHSA-N 1 0 394.523 3.548 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000539287896 871641774 /nfs/dbraw/zinc/64/17/74/871641774.db2.gz ZEQUNJDZPVFEGY-GOSISDBHSA-N 1 0 396.535 3.919 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1C ZINC000076032468 882542549 /nfs/dbraw/zinc/54/25/49/882542549.db2.gz LNWUEOHBIYXHFY-NRFANRHFSA-N 1 0 382.552 3.500 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-n2cc(CC[NH3+])c3ncccc32)n1 ZINC001169704654 871789095 /nfs/dbraw/zinc/78/90/95/871789095.db2.gz DJTAICVMMCLQHJ-UHFFFAOYSA-N 1 0 377.492 3.635 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1C)C(C)C ZINC000618637966 871791021 /nfs/dbraw/zinc/79/10/21/871791021.db2.gz MMNBTQKESIDARU-NRFANRHFSA-N 1 0 384.499 3.748 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169784646 871877212 /nfs/dbraw/zinc/87/72/12/871877212.db2.gz NNBSOZJWHUEXMN-FCHUYYIVSA-N 1 0 389.499 3.706 20 30 GHEDRO COc1ccc(C2(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CCOCC2)cc1 ZINC000237497065 871940137 /nfs/dbraw/zinc/94/01/37/871940137.db2.gz CJXDDCNMERGPLC-SFHVURJKSA-N 1 0 380.488 3.824 20 30 GHEDRO COc1ccc(C2(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CCOCC2)cc1 ZINC000237497099 871940849 /nfs/dbraw/zinc/94/08/49/871940849.db2.gz CJXDDCNMERGPLC-GOSISDBHSA-N 1 0 380.488 3.824 20 30 GHEDRO CC(C)CN(C(=O)c1ccc(C#CBr)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001194827751 871975214 /nfs/dbraw/zinc/97/52/14/871975214.db2.gz RBQFOBXXZGAMBU-IYARVYRRSA-N 1 0 377.326 3.759 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618827508 872031506 /nfs/dbraw/zinc/03/15/06/872031506.db2.gz KULKTJFXWBTBPJ-HYVJGQCMSA-N 1 0 388.515 3.755 20 30 GHEDRO COc1ccc(C[N@H+](CCc2ccccn2)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC001169952972 872051783 /nfs/dbraw/zinc/05/17/83/872051783.db2.gz NGJXRCYBUWSJAR-DEOSSOPVSA-N 1 0 387.483 3.740 20 30 GHEDRO C[C@H]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618842256 872053437 /nfs/dbraw/zinc/05/34/37/872053437.db2.gz KKHBDHASYLUIPN-FDDCHVKYSA-N 1 0 388.515 3.852 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618847263 872069837 /nfs/dbraw/zinc/06/98/37/872069837.db2.gz HFTJUKPMGWEJFE-LZNRXBQRSA-N 1 0 380.536 3.842 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)C2)CC1 ZINC000618854526 872079903 /nfs/dbraw/zinc/07/99/03/872079903.db2.gz YHOCKZZLPVWNKU-KNQAVFIVSA-N 1 0 380.536 3.699 20 30 GHEDRO N#CC1(NC(=O)C2(Cc3ccc(F)cc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000526087585 872080953 /nfs/dbraw/zinc/08/09/53/872080953.db2.gz KQKWOQDQTHQBNA-UHFFFAOYSA-N 1 0 391.490 3.823 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](C)Oc3ccc(C#N)cc3)C2)s1 ZINC000552136230 872082285 /nfs/dbraw/zinc/08/22/85/872082285.db2.gz DRQBAXSBLPEBGW-PKOBYXMFSA-N 1 0 397.544 3.676 20 30 GHEDRO N#CCCn1cc(C[NH2+]C2CCN(c3cccs3)CC2)c(-c2ccncc2)n1 ZINC000618967745 872193764 /nfs/dbraw/zinc/19/37/64/872193764.db2.gz LASDWQKYNDZIPA-UHFFFAOYSA-N 1 0 392.532 3.679 20 30 GHEDRO C=CCCOc1ccc(C(=O)N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001195142503 872197315 /nfs/dbraw/zinc/19/73/15/872197315.db2.gz QJRXWIBNKFESDI-MEMLXQNLSA-N 1 0 379.504 3.949 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001195322338 872307897 /nfs/dbraw/zinc/30/78/97/872307897.db2.gz FEFWQGBMFMCVLX-GOSISDBHSA-N 1 0 392.341 3.608 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccccc2C)[n+]2ccc(C)cc2)cn1 ZINC000101900296 872353760 /nfs/dbraw/zinc/35/37/60/872353760.db2.gz OPUJBYCGAGMMFO-UHFFFAOYSA-O 1 0 379.509 3.858 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001195429072 872417685 /nfs/dbraw/zinc/41/76/85/872417685.db2.gz ZKBBDAWYEUWRII-HSZRJFAPSA-N 1 0 390.531 3.872 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000526986271 872424242 /nfs/dbraw/zinc/42/42/42/872424242.db2.gz FJSPDAUESLIMMK-QFIPXVFZSA-N 1 0 394.494 3.848 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000921124653 882617327 /nfs/dbraw/zinc/61/73/27/882617327.db2.gz FQYFQQVAVXQKBF-OAHLLOKOSA-N 1 0 388.737 3.931 20 30 GHEDRO CC1(C#N)CCN(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000540952300 872604220 /nfs/dbraw/zinc/60/42/20/872604220.db2.gz GKMDHPAZGGIWCN-UHFFFAOYSA-N 1 0 397.523 3.659 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)OC4(CCC4)C3)sc2C1 ZINC001195758594 872616202 /nfs/dbraw/zinc/61/62/02/872616202.db2.gz UDYMGZURUYSYSU-HUUCEWRRSA-N 1 0 387.549 3.717 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1OC ZINC000623573907 872663878 /nfs/dbraw/zinc/66/38/78/872663878.db2.gz ZXAOSLVICQNVLN-FQEVSTJZSA-N 1 0 383.916 3.571 20 30 GHEDRO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cc[nH+]c2c(O)cccc12 ZINC000619475753 872672205 /nfs/dbraw/zinc/67/22/05/872672205.db2.gz MHGDPSVFMNSYNW-UHFFFAOYSA-N 1 0 384.443 3.625 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2cccc(CC#N)c2)CCCC1)c1ccccc1 ZINC000619482819 872679963 /nfs/dbraw/zinc/67/99/63/872679963.db2.gz FFZQHJQXUCGZLL-SFHVURJKSA-N 1 0 397.544 3.695 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000619508438 872694422 /nfs/dbraw/zinc/69/44/22/872694422.db2.gz WJSIRSRDSSUURA-DNQXCXABSA-N 1 0 375.516 3.552 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(F)(F)CC2)c1C#N ZINC000619515907 872717660 /nfs/dbraw/zinc/71/76/60/872717660.db2.gz XUYLBKJORRDJPR-UHFFFAOYSA-N 1 0 390.434 3.678 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001195876391 872731835 /nfs/dbraw/zinc/73/18/35/872731835.db2.gz IUZIEHUIAHNPOD-LEWJYISDSA-N 1 0 382.479 3.729 20 30 GHEDRO C=CC(C)(C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC001127698885 872800049 /nfs/dbraw/zinc/80/00/49/872800049.db2.gz STRDKGABOGWYCI-UHFFFAOYSA-N 1 0 380.330 3.742 20 30 GHEDRO NC(=[NH+]O[C@H]1CCCc2ccc(F)cc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000775680224 872811273 /nfs/dbraw/zinc/81/12/73/872811273.db2.gz FEPOKEZMHKQLLI-NRFANRHFSA-N 1 0 383.467 3.501 20 30 GHEDRO CC[NH+](CC)CC[C@H](NS(=O)(=O)Cc1csc(C#N)c1)c1ccccc1 ZINC001196019972 872818732 /nfs/dbraw/zinc/81/87/32/872818732.db2.gz HLGGYSDCNSLAAW-IBGZPJMESA-N 1 0 391.562 3.512 20 30 GHEDRO CC[NH+](CC)CC[C@H](NS(=O)(=O)c1c(C)cccc1C#N)c1ccccc1 ZINC001196021861 872820706 /nfs/dbraw/zinc/82/07/06/872820706.db2.gz QXVVCBXABAGURX-FQEVSTJZSA-N 1 0 385.533 3.618 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)C[C@H](C)O1 ZINC000619696495 872884293 /nfs/dbraw/zinc/88/42/93/872884293.db2.gz CIDJIPZXGXJHDN-GJZGRUSLSA-N 1 0 396.457 3.688 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667327169 872944495 /nfs/dbraw/zinc/94/44/95/872944495.db2.gz JOWBXDWLRDANJO-QFIPXVFZSA-N 1 0 395.551 3.826 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)[C@H](C)CC)cc1OC ZINC000236868809 882670246 /nfs/dbraw/zinc/67/02/46/882670246.db2.gz AXFIXIIWONNLQX-ACJLOTCBSA-N 1 0 386.330 3.909 20 30 GHEDRO C[C@H](CCc1n[nH]c2ccccc12)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541155270 873039882 /nfs/dbraw/zinc/03/98/82/873039882.db2.gz MLKYVYDAVRVRGS-ZHRRBRCNSA-N 1 0 387.487 3.541 20 30 GHEDRO CN(C(=O)NCc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619827023 873058845 /nfs/dbraw/zinc/05/88/45/873058845.db2.gz RAELFZSXOHYWCJ-IBGZPJMESA-N 1 0 382.895 3.628 20 30 GHEDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000619872299 873122999 /nfs/dbraw/zinc/12/29/99/873122999.db2.gz RCSZFZVCMSIHKZ-NRFANRHFSA-N 1 0 397.563 3.575 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000768219285 873172667 /nfs/dbraw/zinc/17/26/67/873172667.db2.gz GBWMCMIEJCNBPV-HXUWFJFHSA-N 1 0 375.513 3.553 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768221356 873173450 /nfs/dbraw/zinc/17/34/50/873173450.db2.gz PXDRPPIZXIUBMG-SVMVAKDDSA-N 1 0 393.487 3.635 20 30 GHEDRO C=C(Br)CNC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000761650181 882699606 /nfs/dbraw/zinc/69/96/06/882699606.db2.gz RMMMEKJNBGCYFF-NVXWUHKLSA-N 1 0 380.330 3.762 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000768423424 873295524 /nfs/dbraw/zinc/29/55/24/873295524.db2.gz MBDMZSCFEZMJPJ-UHFFFAOYSA-N 1 0 376.504 3.561 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC001196727574 873324431 /nfs/dbraw/zinc/32/44/31/873324431.db2.gz GXDFFZRFFMUUKV-UHFFFAOYSA-N 1 0 396.579 3.891 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)cc1OCCCC#N ZINC000858012117 882717893 /nfs/dbraw/zinc/71/78/93/882717893.db2.gz XBENVNSXOAJISI-IBGZPJMESA-N 1 0 381.476 3.735 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527702569 873473175 /nfs/dbraw/zinc/47/31/75/873473175.db2.gz GPNQMVORKRASBL-ZBEGNZNMSA-N 1 0 382.327 3.972 20 30 GHEDRO CCOc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(F)cc1OC ZINC000527688545 873495943 /nfs/dbraw/zinc/49/59/43/873495943.db2.gz PQEKRATVGMVZOD-UHFFFAOYSA-N 1 0 399.466 3.979 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 ZINC001197246187 873671206 /nfs/dbraw/zinc/67/12/06/873671206.db2.gz PVWIGUCZLNXAFC-MOPGFXCFSA-N 1 0 378.557 3.815 20 30 GHEDRO N#CC1(NC(=O)c2ccc(Cl)nc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001197276683 873688766 /nfs/dbraw/zinc/68/87/66/873688766.db2.gz MFDNEYVBDJNWPN-UHFFFAOYSA-N 1 0 394.906 3.901 20 30 GHEDRO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)Cc1cccc(C(N)=O)c1 ZINC000768927825 873697716 /nfs/dbraw/zinc/69/77/16/873697716.db2.gz XBLWPFZRQOQMSF-UHFFFAOYSA-N 1 0 385.467 3.868 20 30 GHEDRO N#Cc1cccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000448651156 873727581 /nfs/dbraw/zinc/72/75/81/873727581.db2.gz VLINXLPWAGFLST-SFHVURJKSA-N 1 0 398.304 3.888 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001197358959 873735631 /nfs/dbraw/zinc/73/56/31/873735631.db2.gz KGUQYCRRTQWKKH-QFIPXVFZSA-N 1 0 394.563 3.784 20 30 GHEDRO CCOC(=O)c1sc([C@@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)nc1C ZINC001197402987 873771234 /nfs/dbraw/zinc/77/12/34/873771234.db2.gz LLZHNZXBICATOS-QGZVFWFLSA-N 1 0 399.516 3.758 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)nc1 ZINC001197534011 873863541 /nfs/dbraw/zinc/86/35/41/873863541.db2.gz UKPKNUIQRJTQPO-SUMWQHHRSA-N 1 0 388.393 3.818 20 30 GHEDRO C[C@@H]1C[C@]1(C#N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000448813939 873984976 /nfs/dbraw/zinc/98/49/76/873984976.db2.gz VIVGZIILLJNTPH-AUUYWEPGSA-N 1 0 379.426 3.678 20 30 GHEDRO N#Cc1cccc(NC(=S)NCC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC001197736447 874016941 /nfs/dbraw/zinc/01/69/41/874016941.db2.gz UCBQHEZNRFJEPA-UHFFFAOYSA-N 1 0 382.508 3.896 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000769419772 874034915 /nfs/dbraw/zinc/03/49/15/874034915.db2.gz NUQNBPIVLRNDGV-GOSISDBHSA-N 1 0 377.406 3.658 20 30 GHEDRO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCOCC(F)(F)C(F)(F)F)cc1F ZINC000192135442 882794454 /nfs/dbraw/zinc/79/44/54/882794454.db2.gz XTKUDVKUYRFWCM-STQMWFEESA-N 1 0 375.284 3.599 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700908 874140169 /nfs/dbraw/zinc/14/01/69/874140169.db2.gz GUXOIIDLQSZFLK-TZIWHRDSSA-N 1 0 384.451 3.937 20 30 GHEDRO C#C[C@@H]([NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@@H]1CCCO1 ZINC000775808212 874140827 /nfs/dbraw/zinc/14/08/27/874140827.db2.gz YVZFYKMKDLXZNF-SJORKVTESA-N 1 0 393.325 3.555 20 30 GHEDRO CCC[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000775822130 874236898 /nfs/dbraw/zinc/23/68/98/874236898.db2.gz LZZAHOKEUCMBEW-QFIPXVFZSA-N 1 0 391.515 3.645 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](CCN2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001198219270 874278475 /nfs/dbraw/zinc/27/84/75/874278475.db2.gz NYGZELTVSQOQTF-ICSRJNTNSA-N 1 0 385.508 3.579 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000528405383 874527569 /nfs/dbraw/zinc/52/75/69/874527569.db2.gz FRCZNQZJVXKIAL-IBGZPJMESA-N 1 0 391.446 3.708 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)c(OC)c1 ZINC000464806481 874559519 /nfs/dbraw/zinc/55/95/19/874559519.db2.gz FHUREHHFVGTGBA-KRWDZBQOSA-N 1 0 390.549 3.762 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N2CCC(CC#N)CC2)[NH+]2CCCCC2)cc1 ZINC000541962869 874606856 /nfs/dbraw/zinc/60/68/56/874606856.db2.gz OFQLOLUNQHYKCC-NRFANRHFSA-N 1 0 384.524 3.557 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000464845000 874620724 /nfs/dbraw/zinc/62/07/24/874620724.db2.gz CVQNIWARMCSOSC-XLIONFOSSA-N 1 0 394.519 3.549 20 30 GHEDRO [NH2+]=C(NC[C@H](O)c1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCCCO2 ZINC000262627567 874726907 /nfs/dbraw/zinc/72/69/07/874726907.db2.gz COZGOYRZHXNNCI-AWEZNQCLSA-N 1 0 396.274 3.615 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnc(CCc4ccccc4)s3)C2)nc1 ZINC000449335891 874755184 /nfs/dbraw/zinc/75/51/84/874755184.db2.gz KSKAXBJWTBELGT-LJQANCHMSA-N 1 0 390.512 3.848 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000528677879 874876274 /nfs/dbraw/zinc/87/62/74/874876274.db2.gz DJCQRCSSAGOAJR-NRFANRHFSA-N 1 0 390.487 3.852 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000770804974 874877051 /nfs/dbraw/zinc/87/70/51/874877051.db2.gz HMVNXYLLUAWGHG-OAHLLOKOSA-N 1 0 376.472 3.701 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000464989683 874907279 /nfs/dbraw/zinc/90/72/79/874907279.db2.gz YAQDRHKVVPKDRC-OAQYLSRUSA-N 1 0 375.472 3.825 20 30 GHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449515622 874982750 /nfs/dbraw/zinc/98/27/50/874982750.db2.gz AJAGMXBUDMBFNW-OKZBNKHCSA-N 1 0 378.582 3.806 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(N3CCCc4ccccc43)cc2)CC1 ZINC000770991241 874983761 /nfs/dbraw/zinc/98/37/61/874983761.db2.gz DWFPSAIYRJJTAS-UHFFFAOYSA-N 1 0 387.527 3.988 20 30 GHEDRO Cn1cc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000528761692 875008000 /nfs/dbraw/zinc/00/80/00/875008000.db2.gz LYWXFVHBTONKFV-UHFFFAOYSA-N 1 0 396.498 3.762 20 30 GHEDRO COC[C@@]1([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)COc2ccccc2C1 ZINC000528750202 875013314 /nfs/dbraw/zinc/01/33/14/875013314.db2.gz QILDAKTWCZDASU-LJQANCHMSA-N 1 0 376.378 3.687 20 30 GHEDRO Cc1cccc(Cl)c1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778835 875052506 /nfs/dbraw/zinc/05/25/06/875052506.db2.gz NNBPXOSJQYIYQS-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO CC1(C#N)CCC([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449601144 875125424 /nfs/dbraw/zinc/12/54/24/875125424.db2.gz QPHATCCHCPNIGF-BELGNNRLSA-N 1 0 383.305 3.801 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134464141 882900417 /nfs/dbraw/zinc/90/04/17/882900417.db2.gz VKFSTFZCUFXQIR-KGLIPLIRSA-N 1 0 387.471 3.930 20 30 GHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccccc2)c1 ZINC000105391704 875281114 /nfs/dbraw/zinc/28/11/14/875281114.db2.gz SRFHSFATKIUKBQ-UHFFFAOYSA-O 1 0 399.423 3.544 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000449729503 875294385 /nfs/dbraw/zinc/29/43/85/875294385.db2.gz ZYJVFJFQYCKLDY-SECBINFHSA-N 1 0 382.226 3.734 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3c(Cl)nc4ccccn43)cc2)CC1 ZINC000771524389 875312706 /nfs/dbraw/zinc/31/27/06/875312706.db2.gz IYEWHOVJEFDWCQ-JXMROGBWSA-N 1 0 380.879 3.636 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000776096371 875336371 /nfs/dbraw/zinc/33/63/71/875336371.db2.gz ZETUZHYBPSRQBZ-NRFANRHFSA-N 1 0 393.487 3.666 20 30 GHEDRO Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)n(C2CC[NH+](C)CC2)n1 ZINC000542396510 875477236 /nfs/dbraw/zinc/47/72/36/875477236.db2.gz BFSZPPIJIXGKSM-UHFFFAOYSA-N 1 0 392.507 3.526 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2-n2cccn2)c(-c2ccccc2)n1 ZINC000120177908 875625190 /nfs/dbraw/zinc/62/51/90/875625190.db2.gz WPUSCMUWLWLBFO-UHFFFAOYSA-N 1 0 382.471 3.939 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000913649540 875698800 /nfs/dbraw/zinc/69/88/00/875698800.db2.gz PSRUOMARYCUTOI-QGZVFWFLSA-N 1 0 387.524 3.540 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000271850005 875711140 /nfs/dbraw/zinc/71/11/40/875711140.db2.gz IMGIWNVJEDMZLB-KRWDZBQOSA-N 1 0 388.515 3.758 20 30 GHEDRO CCCCCCCCCCC[N@@H+]1CCC[C@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001201630901 875774613 /nfs/dbraw/zinc/77/46/13/875774613.db2.gz HBYUBHVNOKDKTE-IRLDBZIGSA-N 1 0 382.589 3.903 20 30 GHEDRO CCCCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001201852732 875888038 /nfs/dbraw/zinc/88/80/38/875888038.db2.gz IKLJPWDTYVVKEI-AQNXPRMDSA-N 1 0 388.556 3.750 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000271913542 876031493 /nfs/dbraw/zinc/03/14/93/876031493.db2.gz YKHHXXPAQKJKSH-SOKVYYICSA-N 1 0 381.545 3.611 20 30 GHEDRO N#C[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC12CCCC2 ZINC000450196458 876059760 /nfs/dbraw/zinc/05/97/60/876059760.db2.gz BOMOLUCPAIVDDV-DPLHUUCSSA-N 1 0 377.532 3.974 20 30 GHEDRO Cn1cc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc3c(c2)CCCC3)cn1 ZINC000151913493 876106543 /nfs/dbraw/zinc/10/65/43/876106543.db2.gz MOLRPJKGFCUJDH-UHFFFAOYSA-O 1 0 391.520 3.637 20 30 GHEDRO C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC000858284571 883000855 /nfs/dbraw/zinc/00/08/55/883000855.db2.gz KVINQMCITAVJBN-PXNSSMCTSA-N 1 0 398.551 3.905 20 30 GHEDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1csc(C#N)c1 ZINC001202416606 876187797 /nfs/dbraw/zinc/18/77/97/876187797.db2.gz DKTHUSKRDFCPDB-ZDUSSCGKSA-N 1 0 379.323 3.632 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)cc1 ZINC001202467110 876223483 /nfs/dbraw/zinc/22/34/83/876223483.db2.gz UCGICRRZQPJZRP-UHFFFAOYSA-N 1 0 388.467 3.971 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2cccc(C#N)c2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000450328781 876267252 /nfs/dbraw/zinc/26/72/52/876267252.db2.gz DGJASKRIBLZFNJ-MRXNPFEDSA-N 1 0 380.448 3.778 20 30 GHEDRO C=CCOc1ccccc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000192799190 883022890 /nfs/dbraw/zinc/02/28/90/883022890.db2.gz YHLLITIHSSQNPG-HXUWFJFHSA-N 1 0 392.499 3.969 20 30 GHEDRO CC1(C)OCc2cc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)ccc2O1 ZINC000529677395 876509308 /nfs/dbraw/zinc/50/93/08/876509308.db2.gz PTDSPANFZZNMCP-UHFFFAOYSA-N 1 0 378.472 3.999 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(C)c(Br)c(Cl)c2)CC1 ZINC000786212088 876533521 /nfs/dbraw/zinc/53/35/21/876533521.db2.gz MKHNOPOISXLQOT-UHFFFAOYSA-N 1 0 383.717 3.628 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000850123396 876684375 /nfs/dbraw/zinc/68/43/75/876684375.db2.gz OCMZFKWIXDMCEJ-UHFFFAOYSA-N 1 0 385.552 3.720 20 30 GHEDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2)cc1 ZINC000850347892 876839879 /nfs/dbraw/zinc/83/98/79/876839879.db2.gz ZYMIZADEWNZZRL-INIZCTEOSA-N 1 0 375.394 3.954 20 30 GHEDRO N#CC1CCC(C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850465838 876945288 /nfs/dbraw/zinc/94/52/88/876945288.db2.gz GAVNFONCWCSLCB-JMLCCBQJSA-N 1 0 379.426 3.942 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)o1 ZINC000492489772 876959315 /nfs/dbraw/zinc/95/93/15/876959315.db2.gz XYOJWJNFJKUPGF-KNQAVFIVSA-N 1 0 378.403 3.831 20 30 GHEDRO CCN(CC)C(=O)C1([NH2+]Cc2cc(C#N)ccc2Br)CCCCC1 ZINC000492511186 876969007 /nfs/dbraw/zinc/96/90/07/876969007.db2.gz IVRUAIVRWUFPBL-UHFFFAOYSA-N 1 0 392.341 3.982 20 30 GHEDRO CCc1ccc(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000109391399 877014425 /nfs/dbraw/zinc/01/44/25/877014425.db2.gz KCESWVKCDPMTTA-UHFFFAOYSA-N 1 0 394.519 3.511 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000530061815 877060035 /nfs/dbraw/zinc/06/00/35/877060035.db2.gz ZJWZYROGEAXEEZ-UHFFFAOYSA-N 1 0 391.515 3.836 20 30 GHEDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000787028213 877104434 /nfs/dbraw/zinc/10/44/34/877104434.db2.gz CDNOIBDESHRHOC-MOXGXCLJSA-N 1 0 385.508 3.550 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000787034666 877109653 /nfs/dbraw/zinc/10/96/53/877109653.db2.gz JFQHFOUOEUNBCT-OPAMFIHVSA-N 1 0 387.483 3.990 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000030787583 877111094 /nfs/dbraw/zinc/11/10/94/877111094.db2.gz VJRSPYATDAHKBG-UHFFFAOYSA-N 1 0 379.508 3.581 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492584450 877129016 /nfs/dbraw/zinc/12/90/16/877129016.db2.gz VIBBXEOAZCPSBM-UONOGXRCSA-N 1 0 377.204 3.598 20 30 GHEDRO COc1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1OCCCC#N ZINC000609392940 883104666 /nfs/dbraw/zinc/10/46/66/883104666.db2.gz FCKACXMTLVPYTI-UHFFFAOYSA-N 1 0 381.476 3.885 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000530235073 877338204 /nfs/dbraw/zinc/33/82/04/877338204.db2.gz USYFJCRIZFNBDL-WDSOQIARSA-N 1 0 390.405 3.853 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000610134139 877449669 /nfs/dbraw/zinc/44/96/69/877449669.db2.gz MRHZENKCQVKAIS-RTWAWAEBSA-N 1 0 383.536 3.624 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)CCOCc3ccccc3)CC2)c(F)c1 ZINC001170074732 877465241 /nfs/dbraw/zinc/46/52/41/877465241.db2.gz NATUEYDWYYYTMK-FQEVSTJZSA-N 1 0 398.478 3.508 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000175708004 877479424 /nfs/dbraw/zinc/47/94/24/877479424.db2.gz FURIUCYVNJTQFI-UONOGXRCSA-N 1 0 383.414 3.967 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000901425459 877519554 /nfs/dbraw/zinc/51/95/54/877519554.db2.gz SMISHEFUCXDMNE-PIIMJCKOSA-N 1 0 378.586 3.788 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000477394464 877535687 /nfs/dbraw/zinc/53/56/87/877535687.db2.gz QBFBMFRXDAMRDZ-IBGZPJMESA-N 1 0 381.520 3.913 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460544733 877682538 /nfs/dbraw/zinc/68/25/38/877682538.db2.gz PGKYGLZXISJZAX-NRFANRHFSA-N 1 0 388.519 3.627 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451290545 877729208 /nfs/dbraw/zinc/72/92/08/877729208.db2.gz ZIKBNTCJVQMSHZ-IEBWSBKVSA-N 1 0 389.268 3.621 20 30 GHEDRO N#C[C@@H](CC(=O)N1CCCc2ccc(C[NH3+])nc21)c1c(Cl)cccc1Cl ZINC001183128883 912274728 /nfs/dbraw/zinc/27/47/28/912274728.db2.gz YVGKTIBCKGGZMV-CYBMUJFWSA-N 1 0 389.286 3.824 20 30 GHEDRO C[NH+](C)CC1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000615505662 877803405 /nfs/dbraw/zinc/80/34/05/877803405.db2.gz IFQRCKHUBKXNTC-UHFFFAOYSA-N 1 0 386.311 3.610 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)C1 ZINC000245439494 877882356 /nfs/dbraw/zinc/88/23/56/877882356.db2.gz SXQROAUPVNLKNY-AOIWGVFYSA-N 1 0 388.581 3.539 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@@H](CCCO)c2ccccc2)sc2c1CCCCC2 ZINC000179728366 877907831 /nfs/dbraw/zinc/90/78/31/877907831.db2.gz QIDYMVQZYFUHRU-IBGZPJMESA-N 1 0 397.544 3.931 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451424502 877953451 /nfs/dbraw/zinc/95/34/51/877953451.db2.gz SUFOZDBTLVMZBV-RWQQGDIJSA-N 1 0 387.549 3.502 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)cnc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC001183148381 912305141 /nfs/dbraw/zinc/30/51/41/912305141.db2.gz JFGRTQDOVIGNME-QGZVFWFLSA-N 1 0 394.519 3.942 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000615763245 878093663 /nfs/dbraw/zinc/09/36/63/878093663.db2.gz IRPJYNPZRSCQCC-FCHUYYIVSA-N 1 0 395.453 3.995 20 30 GHEDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CCC2 ZINC000788523335 878131283 /nfs/dbraw/zinc/13/12/83/878131283.db2.gz NNYUTIULJQMKAM-QGZVFWFLSA-N 1 0 378.505 3.791 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1(C)C ZINC000451557637 878145041 /nfs/dbraw/zinc/14/50/41/878145041.db2.gz BXWVVFVPKWOGKV-RDTXWAMCSA-N 1 0 389.565 3.820 20 30 GHEDRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000852320771 878236950 /nfs/dbraw/zinc/23/69/50/878236950.db2.gz OMMKZEUVFMBXPF-PKOBYXMFSA-N 1 0 387.524 3.929 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3ccc(OCC#N)cc3)cc2)C1 ZINC000110630346 878333910 /nfs/dbraw/zinc/33/39/10/878333910.db2.gz GCPFUHYLRFZBND-LJQANCHMSA-N 1 0 391.515 3.680 20 30 GHEDRO CCCCCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCC(F)(F)F)C2)C1 ZINC001275114243 912337218 /nfs/dbraw/zinc/33/72/18/912337218.db2.gz LJMBJXIPGOBFNH-SFHVURJKSA-N 1 0 378.479 3.850 20 30 GHEDRO C=CCCS(=O)(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000451692359 878352950 /nfs/dbraw/zinc/35/29/50/878352950.db2.gz TWMNQRCPQQDGBN-HXUWFJFHSA-N 1 0 376.566 3.515 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)COCC(=O)N2C[C@@H](C)CC(F)(F)F ZINC001275114877 912337946 /nfs/dbraw/zinc/33/79/46/912337946.db2.gz QEHQVHWYDRQRSR-INIZCTEOSA-N 1 0 378.479 3.849 20 30 GHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCCOc3cccc(C#N)c3)ccc2NC1=O ZINC000180021156 878378954 /nfs/dbraw/zinc/37/89/54/878378954.db2.gz GYRVPLOBQMZLJF-QRWLVFNGSA-N 1 0 379.460 3.787 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000530725829 878393769 /nfs/dbraw/zinc/39/37/69/878393769.db2.gz KFVRSKFIEYSVCM-YTFSRNRJSA-N 1 0 388.515 3.592 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1ccccc1 ZINC000180049406 878396393 /nfs/dbraw/zinc/39/63/93/878396393.db2.gz FZNWFZZYSSGEGD-GOSISDBHSA-N 1 0 396.882 3.551 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000272131760 878440357 /nfs/dbraw/zinc/44/03/57/878440357.db2.gz BVBQJGCGAARFDP-GOSISDBHSA-N 1 0 391.515 3.940 20 30 GHEDRO CC1(C)C[C@@H](O)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000451802421 878487448 /nfs/dbraw/zinc/48/74/48/878487448.db2.gz NSWHYTUFMPNPSO-HNNXBMFYSA-N 1 0 389.565 3.700 20 30 GHEDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cccc1N(C)C ZINC000180110958 878491616 /nfs/dbraw/zinc/49/16/16/878491616.db2.gz YZYPGRCSAWDMAO-UHFFFAOYSA-N 1 0 379.508 3.528 20 30 GHEDRO N#CC(CC[NH+]1CCC(N2CCOC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000852721359 878546720 /nfs/dbraw/zinc/54/67/20/878546720.db2.gz OGJJEGIKSAXSAS-UHFFFAOYSA-N 1 0 389.499 3.803 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852834957 878625980 /nfs/dbraw/zinc/62/59/80/878625980.db2.gz FMMCUIUOKLILDD-ZDUSSCGKSA-N 1 0 387.936 3.952 20 30 GHEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000177267253 878626237 /nfs/dbraw/zinc/62/62/37/878626237.db2.gz WSACHKQMFXSRIN-HLIPFELVSA-N 1 0 380.454 3.631 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918756 878649963 /nfs/dbraw/zinc/64/99/63/878649963.db2.gz YUSLKLJDVDQSLF-LJQANCHMSA-N 1 0 395.286 3.750 20 30 GHEDRO C[N@H+](CCOC(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1ccc(F)cc1 ZINC000789124107 878653097 /nfs/dbraw/zinc/65/30/97/878653097.db2.gz VIXHBVUOBLRSGA-UHFFFAOYSA-N 1 0 379.391 3.641 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)C(C)(C)CO)cc1OC ZINC000530967880 878819951 /nfs/dbraw/zinc/81/99/51/878819951.db2.gz TZRLCUDYOGRHNT-UHFFFAOYSA-N 1 0 386.330 3.909 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(SCc3ccccc3)ns2)CC1 ZINC000177708938 878825369 /nfs/dbraw/zinc/82/53/69/878825369.db2.gz KYRXEJOYNQWZFN-UHFFFAOYSA-N 1 0 389.550 3.602 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000246012480 878856266 /nfs/dbraw/zinc/85/62/66/878856266.db2.gz KIPQPDVXVZSBRZ-YLJYHZDGSA-N 1 0 380.467 3.647 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000538126209 878903091 /nfs/dbraw/zinc/90/30/91/878903091.db2.gz WAUSWAIMJZPACZ-SFHVURJKSA-N 1 0 392.503 3.654 20 30 GHEDRO COc1ccc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1F ZINC000180550828 879025575 /nfs/dbraw/zinc/02/55/75/879025575.db2.gz MEFLLQYHIHJQOG-UHFFFAOYSA-N 1 0 382.483 3.506 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccccc2C)C(=S)NCCc2cccnc2)c1 ZINC000068866237 879111273 /nfs/dbraw/zinc/11/12/73/879111273.db2.gz JOTIPACXWBQELX-UHFFFAOYSA-O 1 0 390.532 3.757 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2cccnc2)[n+]2ccc(C)cc2)s1 ZINC000068866269 879111989 /nfs/dbraw/zinc/11/19/89/879111989.db2.gz NDCHUQIOHOYCDX-UHFFFAOYSA-O 1 0 396.561 3.819 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccc(C#N)cc1 ZINC000789698938 879181036 /nfs/dbraw/zinc/18/10/36/879181036.db2.gz UXYWLSOEHKEXRS-NPMXOYFQSA-N 1 0 388.471 3.634 20 30 GHEDRO CC[C@H](CNC(=O)c1cc2ccccc2n1CC#N)[N@@H+]1CCc2ccccc2C1 ZINC000609162991 879226348 /nfs/dbraw/zinc/22/63/48/879226348.db2.gz LSFVWBSMYMADMX-OAQYLSRUSA-N 1 0 386.499 3.732 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000068919496 879255647 /nfs/dbraw/zinc/25/56/47/879255647.db2.gz ZAAUEPDMVHNSDJ-UHFFFAOYSA-N 1 0 378.520 3.513 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1 ZINC000068919446 879256285 /nfs/dbraw/zinc/25/62/85/879256285.db2.gz ZOLJJDDPTRUXPG-UHFFFAOYSA-N 1 0 389.908 3.756 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000285814093 912453256 /nfs/dbraw/zinc/45/32/56/912453256.db2.gz ALMXQKZMVRWRNO-SFHVURJKSA-N 1 0 378.438 3.757 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)CC1 ZINC000069046481 879461049 /nfs/dbraw/zinc/46/10/49/879461049.db2.gz PKTVZKWLCVAYSZ-UHFFFAOYSA-N 1 0 396.462 3.697 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 ZINC000069069084 879487733 /nfs/dbraw/zinc/48/77/33/879487733.db2.gz VBRAXCNKSVBKDX-SFHVURJKSA-N 1 0 384.474 3.931 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000152692274 879591674 /nfs/dbraw/zinc/59/16/74/879591674.db2.gz LICBWUJBUWIDNK-HXUWFJFHSA-N 1 0 382.895 3.585 20 30 GHEDRO C=CCNC(=O)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000538534029 879670573 /nfs/dbraw/zinc/67/05/73/879670573.db2.gz LLZVZDINALQLOZ-UHFFFAOYSA-N 1 0 392.286 3.638 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493894315 879723647 /nfs/dbraw/zinc/72/36/47/879723647.db2.gz NDKVMQNAFAPLKX-MJGOQNOKSA-N 1 0 375.806 3.551 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443464 879825672 /nfs/dbraw/zinc/82/56/72/879825672.db2.gz AKMXEUAFZUOVKS-RTWAWAEBSA-N 1 0 376.500 3.846 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494063203 879868019 /nfs/dbraw/zinc/86/80/19/879868019.db2.gz RWLFOJCRKCRIKC-UHFFFAOYSA-N 1 0 384.545 3.781 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)CC1 ZINC000790661234 879924528 /nfs/dbraw/zinc/92/45/28/879924528.db2.gz XPFNERGSYSVQRM-UHFFFAOYSA-N 1 0 398.938 3.867 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2C[C@@H]3CCC[C@H]3C2)c1C#N ZINC000152940299 879986182 /nfs/dbraw/zinc/98/61/82/879986182.db2.gz JTUXPDCXJVTPLE-ROUUACIJSA-N 1 0 380.492 3.678 20 30 GHEDRO C#CC[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000790797732 880006603 /nfs/dbraw/zinc/00/66/03/880006603.db2.gz VYXLWQKVZIIELI-QHCPKHFHSA-N 1 0 391.515 3.723 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000564388131 880019922 /nfs/dbraw/zinc/01/99/22/880019922.db2.gz VIICVJGEYBFJCM-HUUCEWRRSA-N 1 0 389.931 3.712 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000286015609 912536455 /nfs/dbraw/zinc/53/64/55/912536455.db2.gz JMBVKTVGHVXDAI-UXHICEINSA-N 1 0 398.503 3.751 20 30 GHEDRO Cc1nn2c(nc3ccccc3c2=O)c1=CNNc1[nH+]c2ccccc2cc1C ZINC000776786176 880256134 /nfs/dbraw/zinc/25/61/34/880256134.db2.gz QVCXDHOOZVDQAE-UHFFFAOYSA-N 1 0 382.427 3.787 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@]2(O)CCCc3ccccc32)c(-c2ccccc2)n1 ZINC000113340292 880518841 /nfs/dbraw/zinc/51/88/41/880518841.db2.gz RKFJWVNNYOEZQU-DEOSSOPVSA-N 1 0 386.499 3.777 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)ccc1OC ZINC000113347520 880520058 /nfs/dbraw/zinc/52/00/58/880520058.db2.gz MALLNQXWESLUSV-VQIMIIECSA-N 1 0 379.460 3.957 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnn(-c3ccccc3)c2)ccc1OC ZINC000113347782 880520183 /nfs/dbraw/zinc/52/01/83/880520183.db2.gz APYISBNVLCMTAC-HXUWFJFHSA-N 1 0 376.460 3.852 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1)C1N=CC=CC1=O ZINC000113361096 880545208 /nfs/dbraw/zinc/54/52/08/880545208.db2.gz IAEPXVYENCWJBO-HNENSFHCSA-N 1 0 387.892 3.685 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC000286152176 912593396 /nfs/dbraw/zinc/59/33/96/912593396.db2.gz OXCDBTIQQZOYFP-YADHBBJMSA-N 1 0 383.442 3.925 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000453413828 880876993 /nfs/dbraw/zinc/87/69/93/880876993.db2.gz LXZZWRLTOKQJIQ-HAGHYFMRSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000453440781 880901190 /nfs/dbraw/zinc/90/11/90/880901190.db2.gz NDSMNGDZKKVVFS-UXHICEINSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453440386 880901984 /nfs/dbraw/zinc/90/19/84/880901984.db2.gz MPMOYVFQUXFQOP-ZJOUEHCJSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453455718 880948437 /nfs/dbraw/zinc/94/84/37/880948437.db2.gz YBRHKYMJQRAFGQ-UHFFFAOYSA-N 1 0 385.581 3.985 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453460900 880960302 /nfs/dbraw/zinc/96/03/02/880960302.db2.gz DYMJCYUBWXSADJ-LEWJYISDSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453460801 880960491 /nfs/dbraw/zinc/96/04/91/880960491.db2.gz DYMJCYUBWXSADJ-RTWAWAEBSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000453471207 880985342 /nfs/dbraw/zinc/98/53/42/880985342.db2.gz SUZFSFJJFDLADM-ROUUACIJSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccccc1 ZINC000186822052 880995391 /nfs/dbraw/zinc/99/53/91/880995391.db2.gz IZJIAQXSKTVLPJ-JOCHJYFZSA-N 1 0 391.515 3.682 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453449562 881002665 /nfs/dbraw/zinc/00/26/65/881002665.db2.gz FEBIHNLWPCXYEU-JENIJYKNSA-N 1 0 385.581 3.673 20 30 GHEDRO CCn1cc([C@@H](O)C[N@H+](CC#Cc2ccc(F)cc2)Cc2ccccc2)cn1 ZINC000792363639 881056756 /nfs/dbraw/zinc/05/67/56/881056756.db2.gz BETQUSWHAUNJRB-QHCPKHFHSA-N 1 0 377.463 3.629 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453602288 881126116 /nfs/dbraw/zinc/12/61/16/881126116.db2.gz IVDYDYNQDHBJFV-NRFANRHFSA-N 1 0 395.478 3.528 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057932985 881200706 /nfs/dbraw/zinc/20/07/06/881200706.db2.gz RNCGHWJQMYFZHP-GOSISDBHSA-N 1 0 375.582 3.503 20 30 GHEDRO Cc1cc(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Br ZINC000187533892 881222577 /nfs/dbraw/zinc/22/25/77/881222577.db2.gz MKLUAKYUZGAEOZ-UHFFFAOYSA-N 1 0 381.318 3.765 20 30 GHEDRO COc1ccc(C[C@@H](C)NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC001170295221 881316449 /nfs/dbraw/zinc/31/64/49/881316449.db2.gz BEQSFPDNKFJJJG-LLVKDONJSA-N 1 0 381.354 3.959 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000858566801 883203968 /nfs/dbraw/zinc/20/39/68/883203968.db2.gz GCKAGTDHYXIADS-UHFFFAOYSA-N 1 0 393.531 3.873 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000135249977 883270588 /nfs/dbraw/zinc/27/05/88/883270588.db2.gz BKHRTIDRRATURW-UHFFFAOYSA-N 1 0 377.517 3.815 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000609515988 883285885 /nfs/dbraw/zinc/28/58/85/883285885.db2.gz XUXGHDJBEAGTBP-VQTJNVASSA-N 1 0 375.472 3.902 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCOC2CCOCC2)c1 ZINC000610271104 883317917 /nfs/dbraw/zinc/31/79/17/883317917.db2.gz NXPZUYKFPPRTPX-UHFFFAOYSA-N 1 0 380.488 3.813 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000804945441 883479819 /nfs/dbraw/zinc/47/98/19/883479819.db2.gz DMQTXYUTZMTISU-XMMPIXPASA-N 1 0 389.543 3.893 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1C ZINC000185602875 883566119 /nfs/dbraw/zinc/56/61/19/883566119.db2.gz IQGKYQMRQAWKAP-ICSRJNTNSA-N 1 0 377.488 3.704 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(-c2noc(C)n2)c1)C(C)C ZINC000064545436 883650156 /nfs/dbraw/zinc/65/01/56/883650156.db2.gz KIAUJFWJNPKPMG-IBGZPJMESA-N 1 0 383.496 3.865 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)Cc2ccc(OCC#N)cc2)[NH+](C)C)cc1 ZINC000805308681 883725490 /nfs/dbraw/zinc/72/54/90/883725490.db2.gz IIBSMGBRBXYXQY-QHCPKHFHSA-N 1 0 393.531 3.749 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCCSCC#N)CC[C@H]1C(F)(F)F ZINC000859604556 883927359 /nfs/dbraw/zinc/92/73/59/883927359.db2.gz JMHULFXTBFEBQV-UONOGXRCSA-N 1 0 395.491 3.658 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189632561 883971258 /nfs/dbraw/zinc/97/12/58/883971258.db2.gz ZIQGEXXEBVCQJG-QFBILLFUSA-N 1 0 376.422 3.532 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805784247 884066325 /nfs/dbraw/zinc/06/63/25/884066325.db2.gz IQLJENQEGLEKRI-RPWUZVMVSA-N 1 0 389.543 3.785 20 30 GHEDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000498349516 884135580 /nfs/dbraw/zinc/13/55/80/884135580.db2.gz DHXRWHIHZMWAQM-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO C[NH+]1CCC(CNC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 ZINC000760475289 884137492 /nfs/dbraw/zinc/13/74/92/884137492.db2.gz MVYPYMKVRPPVKG-OAQYLSRUSA-N 1 0 378.545 3.970 20 30 GHEDRO CC1(C)CC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC(C)(C)[NH2+]1 ZINC000576369648 884137667 /nfs/dbraw/zinc/13/76/67/884137667.db2.gz QZOPXBUQWGRLST-UHFFFAOYSA-N 1 0 378.476 3.785 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(C(=O)N4CCCC4)cc3)CCOCC2)cc1 ZINC000859882498 884146770 /nfs/dbraw/zinc/14/67/70/884146770.db2.gz SXEKITOPEOVFIL-UHFFFAOYSA-N 1 0 389.499 3.590 20 30 GHEDRO CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805855340 884149219 /nfs/dbraw/zinc/14/92/19/884149219.db2.gz HDMPCJIUZZLUHI-LJQANCHMSA-N 1 0 391.471 3.642 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000918688057 884155808 /nfs/dbraw/zinc/15/58/08/884155808.db2.gz ILCJOFOMJQIBOJ-LVIWNVNYSA-N 1 0 384.524 3.574 20 30 GHEDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)cc1 ZINC000191805794 884211935 /nfs/dbraw/zinc/21/19/35/884211935.db2.gz XMMXQACDLVTVBO-QFIPXVFZSA-N 1 0 377.488 3.568 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)CC1 ZINC000761772717 884216974 /nfs/dbraw/zinc/21/69/74/884216974.db2.gz MWJLGNJMJQGIRA-UHFFFAOYSA-N 1 0 392.547 3.688 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OCC)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000494929074 884229091 /nfs/dbraw/zinc/22/90/91/884229091.db2.gz GURVPBLLYPMBDY-MRXNPFEDSA-N 1 0 381.455 3.949 20 30 GHEDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]2CCCO[C@H]21 ZINC000556295804 884394266 /nfs/dbraw/zinc/39/42/66/884394266.db2.gz LSJQCEANOQNIJV-NIKGAXFTSA-N 1 0 387.549 3.620 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000806155233 884412843 /nfs/dbraw/zinc/41/28/43/884412843.db2.gz NNPPMYVZMOSTFC-QFIPXVFZSA-N 1 0 390.531 3.585 20 30 GHEDRO CCOC(=O)C1([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCOCC1 ZINC000897741396 884456572 /nfs/dbraw/zinc/45/65/72/884456572.db2.gz DZSMPQLAIWSJMO-HOHBBMLPSA-N 1 0 384.520 3.729 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000806311703 884556826 /nfs/dbraw/zinc/55/68/26/884556826.db2.gz UNZDCOXSBFEZGI-QHCPKHFHSA-N 1 0 391.515 3.677 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000537525416 884992466 /nfs/dbraw/zinc/99/24/66/884992466.db2.gz YSYWPLQXOYNTFL-LPHOPBHVSA-N 1 0 387.549 3.768 20 30 GHEDRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000103494441 885012355 /nfs/dbraw/zinc/01/23/55/885012355.db2.gz CUCOUXYSYGVBOO-INIZCTEOSA-N 1 0 398.457 3.544 20 30 GHEDRO C#CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cccc(Br)c3)C2)C1=O ZINC001275268717 912895313 /nfs/dbraw/zinc/89/53/13/912895313.db2.gz JWQOPVLAQZPBGS-NRFANRHFSA-N 1 0 395.300 3.573 20 30 GHEDRO C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1Cc1ccccc1 ZINC000556505307 885155604 /nfs/dbraw/zinc/15/56/04/885155604.db2.gz HUWLCMBXHDHVEK-FQEVSTJZSA-N 1 0 388.433 3.795 20 30 GHEDRO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556506973 885164575 /nfs/dbraw/zinc/16/45/75/885164575.db2.gz YZZQTNOSFRFGHI-FQEVSTJZSA-N 1 0 377.488 3.803 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460390581 885274931 /nfs/dbraw/zinc/27/49/31/885274931.db2.gz SNSJYQMHASFKKF-QZTJIDSGSA-N 1 0 390.535 3.988 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000807470292 885465833 /nfs/dbraw/zinc/46/58/33/885465833.db2.gz QCSGVEZQQMZFLC-URXFXBBRSA-N 1 0 389.543 3.927 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000610972348 885608526 /nfs/dbraw/zinc/60/85/26/885608526.db2.gz NKMCSHAEOOOSCU-DLBZAZTESA-N 1 0 377.492 3.539 20 30 GHEDRO CCOC(=O)CCC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000610996727 885659029 /nfs/dbraw/zinc/65/90/29/885659029.db2.gz KLMZTEFDVAPSOD-UHFFFAOYSA-N 1 0 399.535 3.605 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000487909358 885770089 /nfs/dbraw/zinc/77/00/89/885770089.db2.gz FTEWBMZRUGKZCI-OAQYLSRUSA-N 1 0 381.476 3.541 20 30 GHEDRO N#CC1(NC(=O)c2cnc3ccsc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000537591229 885776016 /nfs/dbraw/zinc/77/60/16/885776016.db2.gz QDHUYHTUZBFGSB-UHFFFAOYSA-N 1 0 376.485 3.584 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)Nc3cccc(CC#N)c3)cc2)C1 ZINC000454041244 885824817 /nfs/dbraw/zinc/82/48/17/885824817.db2.gz RCRFMKSRVSOOIP-QGZVFWFLSA-N 1 0 390.487 3.562 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000556667583 885845551 /nfs/dbraw/zinc/84/55/51/885845551.db2.gz HYSZNXHCFMLJBQ-OALUTQOASA-N 1 0 397.544 3.579 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)/C=C/c3ccccc3C#N)C2)s1 ZINC000808060970 885962750 /nfs/dbraw/zinc/96/27/50/885962750.db2.gz SEQLQUANPWAGKF-XSFOEPMVSA-N 1 0 379.529 3.922 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)C2CC[NH+](C)CC2)s1 ZINC000861891043 885963830 /nfs/dbraw/zinc/96/38/30/885963830.db2.gz QCTNAGSLSFKINL-UHFFFAOYSA-N 1 0 388.002 3.781 20 30 GHEDRO Cc1c(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000194967965 885984791 /nfs/dbraw/zinc/98/47/91/885984791.db2.gz GRNLRTIDHQZRIL-UHFFFAOYSA-N 1 0 378.432 3.768 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762367458 886087014 /nfs/dbraw/zinc/08/70/14/886087014.db2.gz UQGZFCYECJKXGW-LJQANCHMSA-N 1 0 388.471 3.597 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476494814 886104760 /nfs/dbraw/zinc/10/47/60/886104760.db2.gz USIYMBQYSAFSPZ-PELRDEGISA-N 1 0 398.551 3.812 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000532570602 886135870 /nfs/dbraw/zinc/13/58/70/886135870.db2.gz HUSKTWARNDJLNN-UHFFFAOYSA-N 1 0 379.304 3.704 20 30 GHEDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000130676160 886139803 /nfs/dbraw/zinc/13/98/03/886139803.db2.gz DXULTCUWXUWPOR-HNNXBMFYSA-N 1 0 399.564 3.743 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc(OC)c1OC ZINC000919762541 886313749 /nfs/dbraw/zinc/31/37/49/886313749.db2.gz IWHQQUKFGDLADG-DYESRHJHSA-N 1 0 394.515 3.998 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862396206 886350524 /nfs/dbraw/zinc/35/05/24/886350524.db2.gz IDFYVWLNXOYQER-YSSFQJQWSA-N 1 0 385.508 3.550 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1c(Oc2ccc(F)cc2)nc2ccccn21)C1CCOCC1 ZINC000862418407 886361861 /nfs/dbraw/zinc/36/18/61/886361861.db2.gz IRDFTHMCUWTUAG-LJQANCHMSA-N 1 0 379.435 3.784 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072823738 886442179 /nfs/dbraw/zinc/44/21/79/886442179.db2.gz AJNAMOODRMNIFK-LEWJYISDSA-N 1 0 384.568 3.602 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc2ccccc12 ZINC000499044788 886478722 /nfs/dbraw/zinc/47/87/22/886478722.db2.gz UOJCBITUVXQWMR-UHFFFAOYSA-N 1 0 377.513 3.906 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1OCCCC#N ZINC000762612106 886516015 /nfs/dbraw/zinc/51/60/15/886516015.db2.gz FOKRDBXHFMIXMV-LZQZEXGQSA-N 1 0 378.563 3.847 20 30 GHEDRO CCN(CC)c1ccnc(N=NC(C)c2ccc(OC)c(C[NH+]3CCCC3)c2)n1 ZINC000762619003 886547921 /nfs/dbraw/zinc/54/79/21/886547921.db2.gz ZQXCVYWWKJNBPG-UHFFFAOYSA-N 1 0 396.539 3.763 20 30 GHEDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)c2)C1 ZINC001184166287 913062135 /nfs/dbraw/zinc/06/21/35/913062135.db2.gz HWQIAQYXEHKTKA-JOCHJYFZSA-N 1 0 399.498 3.865 20 30 GHEDRO C=CCNc1ncc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000131967888 886621847 /nfs/dbraw/zinc/62/18/47/886621847.db2.gz QRDBNCRADNZDJG-MOPGFXCFSA-N 1 0 396.560 3.868 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3c[nH]c4c3cccc4CC)CC2)CC1 ZINC000123876461 886683487 /nfs/dbraw/zinc/68/34/87/886683487.db2.gz PKDSTTDMXCMRLM-UHFFFAOYSA-N 1 0 377.532 3.782 20 30 GHEDRO CC[N@H+](C)[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000104918335 886725004 /nfs/dbraw/zinc/72/50/04/886725004.db2.gz JGEOTVXROVHEQM-QFIPXVFZSA-N 1 0 377.488 3.621 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccccc1 ZINC000794461441 886745989 /nfs/dbraw/zinc/74/59/89/886745989.db2.gz JSXRWCSZNVHJSP-FQEVSTJZSA-N 1 0 396.560 3.668 20 30 GHEDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cccc(C#N)c1Br ZINC001131446644 886801146 /nfs/dbraw/zinc/80/11/46/886801146.db2.gz OXIVHOKRTFSPNH-UKRRQHHQSA-N 1 0 378.314 3.656 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(Br)cc2C)CC1 ZINC000863198966 886916161 /nfs/dbraw/zinc/91/61/61/886916161.db2.gz XGJORRDNMYYGNU-IBGZPJMESA-N 1 0 389.337 3.766 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487984013 887163594 /nfs/dbraw/zinc/16/35/94/887163594.db2.gz MYGMYEGPCUDIFL-UHFFFAOYSA-N 1 0 379.302 3.660 20 30 GHEDRO CC(C)(C)c1ccc(N2CCC([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000863550925 887207084 /nfs/dbraw/zinc/20/70/84/887207084.db2.gz FPRORGHZBTZJNS-QFIPXVFZSA-N 1 0 399.579 3.614 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000129686314 887336851 /nfs/dbraw/zinc/33/68/51/887336851.db2.gz VJIURDMNAAMVMT-KNBMTAEXSA-N 1 0 383.517 3.586 20 30 GHEDRO C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272400193 887387936 /nfs/dbraw/zinc/38/79/36/887387936.db2.gz YSQFCIAJAJVXKN-PGRDOPGGSA-N 1 0 376.504 3.610 20 30 GHEDRO N#CCCn1cc(C[NH2+]C2CCN(c3nccs3)CC2)c(-c2ccccc2)n1 ZINC000282113512 887413441 /nfs/dbraw/zinc/41/34/41/887413441.db2.gz FBEGJXYUCGCGSF-UHFFFAOYSA-N 1 0 392.532 3.679 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2ccccc2c1)C(C)C ZINC000915775401 887443720 /nfs/dbraw/zinc/44/37/20/887443720.db2.gz INXKYUUMPPZHIV-NRFANRHFSA-N 1 0 379.504 3.593 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)c(C)c2)CC1 ZINC000153732227 887450341 /nfs/dbraw/zinc/45/03/41/887450341.db2.gz PDNOSPSQYSVCHV-UHFFFAOYSA-N 1 0 382.895 3.914 20 30 GHEDRO CCOC(=O)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000130410948 887518606 /nfs/dbraw/zinc/51/86/06/887518606.db2.gz WPFNNRHETGCDIW-IBGZPJMESA-N 1 0 399.535 3.604 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000171741565 887738000 /nfs/dbraw/zinc/73/80/00/887738000.db2.gz MXCTYDHJZGVOQH-UHFFFAOYSA-N 1 0 378.476 3.711 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3cc[nH]n3)C1)CCCCC2 ZINC000193995992 887944548 /nfs/dbraw/zinc/94/45/48/887944548.db2.gz VGSROSIKVSBOTM-OAHLLOKOSA-N 1 0 397.548 3.820 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1C ZINC000809992533 888047850 /nfs/dbraw/zinc/04/78/50/888047850.db2.gz MVTUHORHMKFULS-HSZRJFAPSA-N 1 0 393.531 3.900 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCO[C@H](c3ccccc3)C1)CCC2 ZINC000609234240 888208547 /nfs/dbraw/zinc/20/85/47/888208547.db2.gz WVYZTHLGOWOQNL-IBGZPJMESA-N 1 0 395.528 3.901 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C#N)ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000248997043 888237967 /nfs/dbraw/zinc/23/79/67/888237967.db2.gz GVKAGQFTSPIVSC-UNMCSNQZSA-N 1 0 390.487 3.975 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccncc2OC[C@H]2CCOC2)CC1 ZINC000287281201 913234574 /nfs/dbraw/zinc/23/45/74/913234574.db2.gz JQTMGJCUEIZDQH-HRRASNIPSA-N 1 0 391.515 3.991 20 30 GHEDRO COc1ccc(CNc2cccc(CN3CCOCC3)c2)cc1OCCCC#N ZINC000122796411 888346605 /nfs/dbraw/zinc/34/66/05/888346605.db2.gz NITKVEFTWXDMAO-UHFFFAOYSA-N 1 0 395.503 3.822 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000794842192 888386451 /nfs/dbraw/zinc/38/64/51/888386451.db2.gz QFUSBZNJDPOJDJ-KBXCAEBGSA-N 1 0 379.378 3.981 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cccnc2Br)CC1 ZINC000865539713 888422873 /nfs/dbraw/zinc/42/28/73/888422873.db2.gz ZBZVWAREBNNQBU-UHFFFAOYSA-N 1 0 387.281 3.591 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000139179895 888433623 /nfs/dbraw/zinc/43/36/23/888433623.db2.gz VNPFSJDTYXDOEC-NRFANRHFSA-N 1 0 385.471 3.692 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475930875 888721436 /nfs/dbraw/zinc/72/14/36/888721436.db2.gz AQFUJEPBCLRFBC-PKTZIBPZSA-N 1 0 390.531 3.982 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(F)cc(OC)c2)no1 ZINC001211975794 888775995 /nfs/dbraw/zinc/77/59/95/888775995.db2.gz QGCQPEVEIOMETR-AEFFLSMTSA-N 1 0 377.460 3.962 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1cscn1 ZINC000925284779 888804984 /nfs/dbraw/zinc/80/49/84/888804984.db2.gz CCAYUWDKKBWWPE-OAHLLOKOSA-N 1 0 378.542 3.595 20 30 GHEDRO COc1cc(C)nc(N=NC(C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)n1 ZINC000747634602 888889690 /nfs/dbraw/zinc/88/96/90/888889690.db2.gz KYFWDAPGNDKCNQ-UHFFFAOYSA-N 1 0 383.496 3.624 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)CC1 ZINC000747637385 888892807 /nfs/dbraw/zinc/89/28/07/888892807.db2.gz HECLKMTXHLRIGK-UHFFFAOYSA-N 1 0 378.520 3.762 20 30 GHEDRO CCOc1ccccc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916307091 888908577 /nfs/dbraw/zinc/90/85/77/888908577.db2.gz QQCBURIHTFLLSM-UHFFFAOYSA-N 1 0 396.560 3.548 20 30 GHEDRO C=CC[C@]1(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000810842294 888933411 /nfs/dbraw/zinc/93/34/11/888933411.db2.gz URFGPXOTWCLMMK-CSODHUTKSA-N 1 0 378.513 3.502 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)O[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000810851999 888959407 /nfs/dbraw/zinc/95/94/07/888959407.db2.gz VFBYBXXFZJONHZ-IRLDBZIGSA-N 1 0 376.456 3.921 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000729685580 889008682 /nfs/dbraw/zinc/00/86/82/889008682.db2.gz ALENTMRTADNETH-OAQYLSRUSA-N 1 0 384.907 3.515 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1-c1noc(C)n1)C(C)C ZINC000916521997 889081370 /nfs/dbraw/zinc/08/13/70/889081370.db2.gz UKDIFPYOCMSVIP-LJQANCHMSA-N 1 0 383.496 3.865 20 30 GHEDRO COc1ccc(OCC[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000532909451 889258223 /nfs/dbraw/zinc/25/82/23/889258223.db2.gz GLPINOWTJRBUGA-UHFFFAOYSA-N 1 0 387.867 3.560 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000532920139 889333751 /nfs/dbraw/zinc/33/37/51/889333751.db2.gz LYZCWRXUDDTIBX-PMACEKPBSA-N 1 0 393.535 3.552 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[NH+](C)C ZINC000454695314 889535291 /nfs/dbraw/zinc/53/52/91/889535291.db2.gz GTTMCKVBHSCIOC-AWEZNQCLSA-N 1 0 386.883 3.862 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@H]1C(F)(F)F ZINC001168517168 889777020 /nfs/dbraw/zinc/77/70/20/889777020.db2.gz DNXIKFLOXWBCJD-XGUBFFRZSA-N 1 0 375.435 3.989 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000287531520 913391946 /nfs/dbraw/zinc/39/19/46/913391946.db2.gz JHQNACLIJILBMC-UHFFFAOYSA-N 1 0 388.846 3.683 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000533246059 890129035 /nfs/dbraw/zinc/12/90/35/890129035.db2.gz LSZCTMDQJRKNKT-KQVJYAISSA-N 1 0 382.552 3.518 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNc1cc(C(F)(F)F)c(C(=O)OC)cn1)C(C)C ZINC001184775406 913425751 /nfs/dbraw/zinc/42/57/51/913425751.db2.gz LNZGMLFGBZWPSW-INIZCTEOSA-N 1 0 385.430 3.998 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CCCO)CC(C)(C)C)c1C#N ZINC000533280216 890214742 /nfs/dbraw/zinc/21/47/42/890214742.db2.gz ZAHBNMFCDYKLTC-UHFFFAOYSA-N 1 0 388.556 3.761 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccccc1SCC#N)Cc1ccccc12 ZINC000870182109 890248870 /nfs/dbraw/zinc/24/88/70/890248870.db2.gz QAIXQVXWASSEOW-UHFFFAOYSA-N 1 0 391.540 3.922 20 30 GHEDRO C[NH+]1CCC(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)(c2ccccc2)CC1 ZINC000870188147 890254076 /nfs/dbraw/zinc/25/40/76/890254076.db2.gz RCCUPUQVFHWCSM-UHFFFAOYSA-N 1 0 391.490 3.509 20 30 GHEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000812049951 890259545 /nfs/dbraw/zinc/25/95/45/890259545.db2.gz KIQUNHRQOSQDQR-QILLFSRXSA-N 1 0 381.442 3.751 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1C#N ZINC000533402612 890425247 /nfs/dbraw/zinc/42/52/47/890425247.db2.gz HZZDMMBCPIIIGZ-SFHVURJKSA-N 1 0 378.476 3.591 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000533421097 890461728 /nfs/dbraw/zinc/46/17/28/890461728.db2.gz MXHDJJHOOOBYTB-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO CC(=NNC(=S)Nc1c(C)cccc1C)c1cccc(N2CCOCC2)c1 ZINC000812382545 890594085 /nfs/dbraw/zinc/59/40/85/890594085.db2.gz OMYCTNZBFPLYFR-UHFFFAOYSA-N 1 0 382.533 3.851 20 30 GHEDRO COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000916949714 890622764 /nfs/dbraw/zinc/62/27/64/890622764.db2.gz GDULQDZEAZHTTM-NRFANRHFSA-N 1 0 391.471 3.642 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000917029420 890776276 /nfs/dbraw/zinc/77/62/76/890776276.db2.gz HVTZHEVTPCJDQT-UHFFFAOYSA-N 1 0 399.922 3.677 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000812777195 890956125 /nfs/dbraw/zinc/95/61/25/890956125.db2.gz YXAYSDOHHRDRSJ-HSZRJFAPSA-N 1 0 380.488 3.911 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1C ZINC000812841875 891031491 /nfs/dbraw/zinc/03/14/91/891031491.db2.gz WLVJLZRCDLEXQG-DNVJHFABSA-N 1 0 397.563 3.956 20 30 GHEDRO C#C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000812880948 891061589 /nfs/dbraw/zinc/06/15/89/891061589.db2.gz HVJOWKHSCDAZOI-FQEVSTJZSA-N 1 0 385.508 3.773 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000812937393 891146307 /nfs/dbraw/zinc/14/63/07/891146307.db2.gz ZIPXETXFQPNDLC-PGRDOPGGSA-N 1 0 379.479 3.806 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000872119965 891165445 /nfs/dbraw/zinc/16/54/45/891165445.db2.gz LRHYRWGEJKLMBP-SHPUBPCLSA-N 1 0 383.941 3.824 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000872140086 891182410 /nfs/dbraw/zinc/18/24/10/891182410.db2.gz WRNORBWOWHQWPM-WAPOTWQKSA-N 1 0 376.541 3.573 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc3cnccc3o2)c(OC)c1 ZINC000872239843 891215765 /nfs/dbraw/zinc/21/57/65/891215765.db2.gz LLRQPFIDWFFGEI-MAUKXSAKSA-N 1 0 382.460 3.655 20 30 GHEDRO Cc1nc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c(Cl)cc1C#N ZINC001184917030 913535620 /nfs/dbraw/zinc/53/56/20/913535620.db2.gz UOIXRMWKBZIKCK-UHFFFAOYSA-N 1 0 397.954 3.925 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)OCC ZINC000533709691 891249877 /nfs/dbraw/zinc/24/98/77/891249877.db2.gz DWQIDQKVUAWADI-HXUWFJFHSA-N 1 0 387.524 3.811 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170698673 891351226 /nfs/dbraw/zinc/35/12/26/891351226.db2.gz SICUNGOHEKHKEP-VLCRHTCISA-N 1 0 377.475 3.896 20 30 GHEDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000813193526 891355934 /nfs/dbraw/zinc/35/59/34/891355934.db2.gz SFSYPESTYNQKMA-QFIPXVFZSA-N 1 0 376.504 3.642 20 30 GHEDRO N#CCC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248749916 891464759 /nfs/dbraw/zinc/46/47/59/891464759.db2.gz OIRYCPMOXXIKRP-RBBKRZOGSA-N 1 0 376.504 3.853 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C)C1CC[NH+](C)CC1 ZINC000917186118 891543352 /nfs/dbraw/zinc/54/33/52/891543352.db2.gz PUPNJYCYLWUQRF-MRXNPFEDSA-N 1 0 383.492 3.550 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000287952273 913601159 /nfs/dbraw/zinc/60/11/59/913601159.db2.gz YLBUYMJOSHQGNA-UHFFFAOYSA-N 1 0 397.404 3.995 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000139477722 891887970 /nfs/dbraw/zinc/88/79/70/891887970.db2.gz PISMMRNHQXTYES-UHFFFAOYSA-N 1 0 393.491 3.661 20 30 GHEDRO COc1ccccc1-c1nc(CON=C(N)c2ccc(C[NH+](C)C)cc2)cs1 ZINC000774824817 913624791 /nfs/dbraw/zinc/62/47/91/913624791.db2.gz CMPDFMSVKJZYKC-UHFFFAOYSA-N 1 0 396.516 3.717 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@](C)(C[NH3+])C2)cc1OCC ZINC000261714292 892085451 /nfs/dbraw/zinc/08/54/51/892085451.db2.gz IYHVSHIKVQUWAF-GOSISDBHSA-N 1 0 383.330 3.583 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H]([NH2+]C)C2)cc1OCC ZINC000262023675 892199737 /nfs/dbraw/zinc/19/97/37/892199737.db2.gz NJKBOKQHNCYXSF-OAHLLOKOSA-N 1 0 383.330 3.596 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000128803866 892459215 /nfs/dbraw/zinc/45/92/15/892459215.db2.gz IKVXAKZYMRIHRO-UHFFFAOYSA-N 1 0 393.535 3.889 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000774835262 913668874 /nfs/dbraw/zinc/66/88/74/913668874.db2.gz LHLNHSDZVLKZMS-HNAYVOBHSA-N 1 0 386.455 3.973 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1cccc(C)c1 ZINC000154530995 892601026 /nfs/dbraw/zinc/60/10/26/892601026.db2.gz LOJZOCXPKGFJLN-OAHLLOKOSA-O 1 0 386.497 3.826 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000194507760 892722171 /nfs/dbraw/zinc/72/21/71/892722171.db2.gz CLBIASROOMAXOI-UHFFFAOYSA-N 1 0 397.500 3.779 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508720690 892965160 /nfs/dbraw/zinc/96/51/60/892965160.db2.gz YYIYCLHXELHPDX-LJQANCHMSA-N 1 0 383.540 3.520 20 30 GHEDRO C[NH+](C)C1(C)CCC(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000876107806 892970950 /nfs/dbraw/zinc/97/09/50/892970950.db2.gz JAVLWBPJXMMAKW-UPTPFMHGSA-N 1 0 382.430 3.724 20 30 GHEDRO C[N@@H+]1CCC[C@@H](COC(=O)CSCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125764848 892975985 /nfs/dbraw/zinc/97/59/85/892975985.db2.gz MMPNBPYMJQXACK-YOEHRIQHSA-N 1 0 386.439 3.888 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCOc3cccc(C#N)c3)CC[C@@H]2C1 ZINC000814675864 893057326 /nfs/dbraw/zinc/05/73/26/893057326.db2.gz AQXPBAQWAHKPQY-KDURUIRLSA-N 1 0 385.508 3.516 20 30 GHEDRO O=C1C=COC2(CC[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC2)C1 ZINC000933645415 893113461 /nfs/dbraw/zinc/11/34/61/893113461.db2.gz PQAOXYACYVRJIF-MAUKXSAKSA-N 1 0 381.394 3.506 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000126001864 893222087 /nfs/dbraw/zinc/22/20/87/893222087.db2.gz CQBVVRJRMIXRCK-QHCPKHFHSA-N 1 0 375.447 3.871 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455782941 893267421 /nfs/dbraw/zinc/26/74/21/893267421.db2.gz KNHRNOSRXDOUAY-ZBFHGGJFSA-N 1 0 383.883 3.781 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000563035775 893305899 /nfs/dbraw/zinc/30/58/99/893305899.db2.gz ZQILMQUSPQZTGO-UHFFFAOYSA-N 1 0 396.535 3.564 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NCc2cc(C#N)cnc2Cl)ccc1OC ZINC000876852252 893361299 /nfs/dbraw/zinc/36/12/99/893361299.db2.gz BLMHFWYWYPRDIC-UHFFFAOYSA-N 1 0 388.899 3.948 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NCc3cc(C#N)cnc3Cl)cc2F)CC1 ZINC000876859718 893363936 /nfs/dbraw/zinc/36/39/36/893363936.db2.gz YLMPIPOSIWERMJ-UHFFFAOYSA-N 1 0 387.890 3.888 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000778215733 893387196 /nfs/dbraw/zinc/38/71/96/893387196.db2.gz FUXNMYZVMGYDIS-XLIONFOSSA-N 1 0 386.540 3.772 20 30 GHEDRO CC(C)(CC#N)CNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000459404266 893436670 /nfs/dbraw/zinc/43/66/70/893436670.db2.gz RTRZCVZPYUWQKN-UHFFFAOYSA-N 1 0 385.512 3.562 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000877036123 893450841 /nfs/dbraw/zinc/45/08/41/893450841.db2.gz NXWSTKSXPMQFNY-CQSZACIVSA-N 1 0 378.810 3.577 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877046308 893456400 /nfs/dbraw/zinc/45/64/00/893456400.db2.gz LQFXCYOXSQWZHT-JOCHJYFZSA-N 1 0 379.504 3.618 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137115224 893461557 /nfs/dbraw/zinc/46/15/57/893461557.db2.gz DAQITSKSHWXAKD-JOCHJYFZSA-N 1 0 385.508 3.954 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)c1 ZINC000877095601 893483695 /nfs/dbraw/zinc/48/36/95/893483695.db2.gz RMMANCQBNVQKCQ-ZDUSSCGKSA-N 1 0 383.801 3.566 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC000815156297 893496406 /nfs/dbraw/zinc/49/64/06/893496406.db2.gz ZTRCTDBCFXJAEC-YVHKJVDXSA-N 1 0 395.478 3.958 20 30 GHEDRO C=CC[N@@H+](Cc1c(C)nn(CCC)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675173 893512201 /nfs/dbraw/zinc/51/22/01/893512201.db2.gz BZAUBOBXTUQUQK-QGZVFWFLSA-N 1 0 379.512 3.635 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000815166848 893553968 /nfs/dbraw/zinc/55/39/68/893553968.db2.gz WULUPWTYONMVKK-UHFFFAOYSA-N 1 0 391.920 3.696 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)C[C@@H]1c1ccc(Br)cc1 ZINC000877460439 893622627 /nfs/dbraw/zinc/62/26/27/893622627.db2.gz SZNUGUJWKPZVFH-PKOBYXMFSA-N 1 0 385.309 3.641 20 30 GHEDRO CC(C)(COc1ncc(Cl)cc1Cl)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000563325195 893628010 /nfs/dbraw/zinc/62/80/10/893628010.db2.gz YUDUANYOAMBHMT-UHFFFAOYSA-N 1 0 390.274 3.855 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000609279468 893780197 /nfs/dbraw/zinc/78/01/97/893780197.db2.gz VNITVSKAINSHTC-UHFFFAOYSA-N 1 0 395.532 3.768 20 30 GHEDRO Cc1nsc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C#N ZINC000459563278 893827615 /nfs/dbraw/zinc/82/76/15/893827615.db2.gz CISLSWMQIXDQGW-QGZVFWFLSA-N 1 0 383.521 3.745 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000563555835 893898301 /nfs/dbraw/zinc/89/83/01/893898301.db2.gz WLWJVMIGULSOBS-FQEVSTJZSA-N 1 0 398.457 3.885 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000459661851 894012724 /nfs/dbraw/zinc/01/27/24/894012724.db2.gz SKPGNOBAGLLBCP-UHFFFAOYSA-N 1 0 382.302 3.572 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)s1 ZINC000126974542 894104276 /nfs/dbraw/zinc/10/42/76/894104276.db2.gz XIVCOSTZHLUPPR-UHFFFAOYSA-N 1 0 385.537 3.524 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000459711477 894134413 /nfs/dbraw/zinc/13/44/13/894134413.db2.gz MUVSELAVXPIJIY-UHFFFAOYSA-N 1 0 394.313 3.762 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 ZINC000022686622 894278496 /nfs/dbraw/zinc/27/84/96/894278496.db2.gz ZKJUYCZCFOCIDU-UHFFFAOYSA-O 1 0 375.464 3.679 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2[nH]c3ccccc3c2C#N)[NH+]2CCCC2)cc1 ZINC001135272467 894280215 /nfs/dbraw/zinc/28/02/15/894280215.db2.gz QHOGCPIPGLHRTP-NRFANRHFSA-N 1 0 388.471 3.615 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCC(OC4CCCC4)CC3)C2=O)cc1 ZINC000563934799 894347592 /nfs/dbraw/zinc/34/75/92/894347592.db2.gz HDSXVVVJIYDOBY-UDJZJCJKSA-N 1 0 381.520 3.914 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1C ZINC000537129092 894373770 /nfs/dbraw/zinc/37/37/70/894373770.db2.gz FOPWRJHDFRTABP-UHFFFAOYSA-N 1 0 391.471 3.558 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(CC)cc1 ZINC000022795493 894406860 /nfs/dbraw/zinc/40/68/60/894406860.db2.gz UUYPNXWLFNUCNH-UHFFFAOYSA-O 1 0 384.481 3.549 20 30 GHEDRO COc1ccccc1OCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000537198193 894529670 /nfs/dbraw/zinc/52/96/70/894529670.db2.gz DJBODLRQPGIFPY-UHFFFAOYSA-N 1 0 376.460 3.641 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)CC1 ZINC000878751428 894581385 /nfs/dbraw/zinc/58/13/85/894581385.db2.gz XMGFUBLNGYCAIE-UHFFFAOYSA-N 1 0 387.524 3.828 20 30 GHEDRO COc1ccc(Br)cc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564153459 894655575 /nfs/dbraw/zinc/65/55/75/894655575.db2.gz YNZFDSAYLWBJQJ-UHFFFAOYSA-N 1 0 389.293 3.978 20 30 GHEDRO Cc1nsc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177763 894689669 /nfs/dbraw/zinc/68/96/69/894689669.db2.gz HIOWMTDBQPSKSK-CABCVRRESA-N 1 0 393.875 3.683 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000127506715 894826911 /nfs/dbraw/zinc/82/69/11/894826911.db2.gz UYGOWEWNUYUUPE-IBGZPJMESA-N 1 0 380.621 3.841 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1cccc(OCC#N)c1 ZINC000816452766 894847573 /nfs/dbraw/zinc/84/75/73/894847573.db2.gz FUMPIPLTFUZRTO-PGRDOPGGSA-N 1 0 378.472 3.585 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000564380475 894916431 /nfs/dbraw/zinc/91/64/31/894916431.db2.gz RJGVYPRYCJEHHF-IEBWSBKVSA-N 1 0 387.597 3.867 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H](Cc2ccccn2)C(=O)OCC)cc1 ZINC001170845129 895095583 /nfs/dbraw/zinc/09/55/83/895095583.db2.gz RZBBWBPUWPVHSN-YADHBBJMSA-N 1 0 379.504 3.991 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)cc1 ZINC000897588646 895188056 /nfs/dbraw/zinc/18/80/56/895188056.db2.gz JHAKTFSMQPWHKT-UHFFFAOYSA-N 1 0 375.516 3.899 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603597 895395885 /nfs/dbraw/zinc/39/58/85/895395885.db2.gz MZKWWDZWZTUJFE-UHFFFAOYSA-O 1 0 394.520 3.771 20 30 GHEDRO Cc1csc([C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007568 895445731 /nfs/dbraw/zinc/44/57/31/895445731.db2.gz JLOIYICRZHBDMA-ZDUSSCGKSA-N 1 0 386.546 3.692 20 30 GHEDRO COc1cc(NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)c(F)cc1C#N ZINC000880160118 895547396 /nfs/dbraw/zinc/54/73/96/895547396.db2.gz TVTOWLDXXRDIAL-UHFFFAOYSA-N 1 0 376.476 3.538 20 30 GHEDRO C=CCCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000880388763 895681537 /nfs/dbraw/zinc/68/15/37/895681537.db2.gz OGFYQZMSRGVRPP-JOCHJYFZSA-N 1 0 397.563 3.535 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCCOC1 ZINC000880467400 895721283 /nfs/dbraw/zinc/72/12/83/895721283.db2.gz ZUCXYUUXKYCQHR-QFBILLFUSA-N 1 0 377.916 3.690 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cc(C#N)c(F)cc3F)C2)CC1 ZINC000880715557 895826167 /nfs/dbraw/zinc/82/61/67/895826167.db2.gz VUCKRFQSSIZROK-HNNXBMFYSA-N 1 0 376.451 3.812 20 30 GHEDRO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000565779162 895870942 /nfs/dbraw/zinc/87/09/42/895870942.db2.gz SJYNIHMXHUPWQE-ZHRRBRCNSA-N 1 0 393.491 3.907 20 30 GHEDRO C=CCOCc1nn([C@H]2CCc3ccc(Br)cc3C2)c2c1C[NH2+]C2 ZINC001170880117 895926542 /nfs/dbraw/zinc/92/65/42/895926542.db2.gz SSLYWXCLPMLPPJ-INIZCTEOSA-N 1 0 388.309 3.681 20 30 GHEDRO CC(C)CCN(CCC#N)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881130526 896175424 /nfs/dbraw/zinc/17/54/24/896175424.db2.gz BRNYKJPFWBMYOQ-NRFANRHFSA-N 1 0 383.540 3.765 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccc(C#N)cc1 ZINC000881134319 896181246 /nfs/dbraw/zinc/18/12/46/896181246.db2.gz HYBJXJUXMPIZNI-HTAPYJJXSA-N 1 0 389.503 3.725 20 30 GHEDRO C=C[C@H]1C[C@]1(Nc1nccc2c1CC[N@H+](Cc1ccccc1)C2)C(=O)OCC ZINC001170920832 896376340 /nfs/dbraw/zinc/37/63/40/896376340.db2.gz AJRJQDBBGUXBPH-WMZHIEFXSA-N 1 0 377.488 3.560 20 30 GHEDRO C=CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccncc1 ZINC000819074607 896388065 /nfs/dbraw/zinc/38/80/65/896388065.db2.gz SEFIWALWCKVQPN-WMZOPIPTSA-N 1 0 395.272 3.630 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000819183908 896452437 /nfs/dbraw/zinc/45/24/37/896452437.db2.gz UBXRARUEXVBTGX-RTFZILSDSA-N 1 0 380.488 3.507 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000566694864 896499362 /nfs/dbraw/zinc/49/93/62/896499362.db2.gz VHTSFXLUJZIOHK-HTAPYJJXSA-N 1 0 391.490 3.898 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000819217193 896509353 /nfs/dbraw/zinc/50/93/53/896509353.db2.gz RQCWHXMGFMYVSH-IAGOWNOFSA-N 1 0 388.533 3.596 20 30 GHEDRO CCn1c(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)nc2cc(Br)ccc21 ZINC000819258928 896546884 /nfs/dbraw/zinc/54/68/84/896546884.db2.gz DZEWNOUWOCXLGV-GOSISDBHSA-N 1 0 399.292 3.514 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000819309372 896552136 /nfs/dbraw/zinc/55/21/36/896552136.db2.gz QFCQAIRVSCQZKJ-OCCSQVGLSA-N 1 0 388.002 3.780 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000819340577 896585385 /nfs/dbraw/zinc/58/53/85/896585385.db2.gz CECRKSHDONDUOY-KGLIPLIRSA-N 1 0 385.986 3.534 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCC2(CCC2)O1 ZINC000882083238 896655179 /nfs/dbraw/zinc/65/51/79/896655179.db2.gz YSCZLINXKPYOKC-QGZVFWFLSA-N 1 0 376.570 3.686 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc([C@@H]2CCCOC2)nc1C)C(C)C ZINC000566929090 896704751 /nfs/dbraw/zinc/70/47/51/896704751.db2.gz LWPOXAAKKCUUIL-MSOLQXFVSA-N 1 0 391.581 3.774 20 30 GHEDRO N#CC[C@@H](CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC000882398362 896790013 /nfs/dbraw/zinc/79/00/13/896790013.db2.gz VTUKSLUAMRCISF-NZQKXSOJSA-N 1 0 388.515 3.997 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)C[N@H+](C)C(C)C)s1 ZINC000819538711 896794011 /nfs/dbraw/zinc/79/40/11/896794011.db2.gz UAUQKLZIDCCAOT-GFCCVEGCSA-N 1 0 375.991 3.684 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)C1 ZINC001137180009 896867464 /nfs/dbraw/zinc/86/74/64/896867464.db2.gz NESJEWDWADPZKL-JOCHJYFZSA-N 1 0 381.476 3.551 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000567345593 897080963 /nfs/dbraw/zinc/08/09/63/897080963.db2.gz MTTWQIGSOVUVDK-HKUYNNGSSA-N 1 0 378.394 3.624 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](CCc3ccc(Cl)cc3Cl)C2)C1=O ZINC001276323444 914128298 /nfs/dbraw/zinc/12/82/98/914128298.db2.gz BIQLMEADCFEUGO-IBGZPJMESA-N 1 0 381.303 3.563 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000882941988 897130698 /nfs/dbraw/zinc/13/06/98/897130698.db2.gz IHISZGLNIFKVKO-UHFFFAOYSA-N 1 0 377.488 3.590 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000778585647 897135704 /nfs/dbraw/zinc/13/57/04/897135704.db2.gz VEVZOCBUJYMKRD-VQIMIIECSA-N 1 0 395.507 3.614 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001136335211 897302932 /nfs/dbraw/zinc/30/29/32/897302932.db2.gz RUDIQQWVNXFGSU-XMSQKQJNSA-N 1 0 393.572 3.570 20 30 GHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001136338841 897323306 /nfs/dbraw/zinc/32/33/06/897323306.db2.gz JMKQANIIVIKDKT-JOCHJYFZSA-N 1 0 375.516 3.659 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cc(Cl)cc(Cl)c2)cc1 ZINC000567680766 897334441 /nfs/dbraw/zinc/33/44/41/897334441.db2.gz DXPSUQUIQHLCFU-SFHVURJKSA-N 1 0 379.287 3.631 20 30 GHEDRO C=CCCC[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC000883184844 897346862 /nfs/dbraw/zinc/34/68/62/897346862.db2.gz GZRVPAFAZVJSQQ-JOCHJYFZSA-N 1 0 392.547 3.971 20 30 GHEDRO C#C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000820577964 897403632 /nfs/dbraw/zinc/40/36/32/897403632.db2.gz CNFRDXFHEUYAHX-HXUWFJFHSA-N 1 0 385.895 3.913 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cscc2Br)CC1 ZINC000883341893 897509693 /nfs/dbraw/zinc/50/96/93/897509693.db2.gz CYTCIYJRWLYLLB-UHFFFAOYSA-N 1 0 386.359 3.693 20 30 GHEDRO C=CCCC[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000883429804 897578531 /nfs/dbraw/zinc/57/85/31/897578531.db2.gz FPCBVVMXNSXTAC-SIKLNZKXSA-N 1 0 385.552 3.884 20 30 GHEDRO C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC(CCC#N)CC4)nc(N)c23)C1 ZINC000568389540 897801809 /nfs/dbraw/zinc/80/18/09/897801809.db2.gz NZLQWDPPFXQWKC-CQSZACIVSA-N 1 0 383.565 3.957 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000568567733 897942589 /nfs/dbraw/zinc/94/25/89/897942589.db2.gz VMBQIOTYQNKLOF-FPOVZHCZSA-N 1 0 397.567 3.826 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000132963410 898032949 /nfs/dbraw/zinc/03/29/49/898032949.db2.gz UGFUFCMJJDKNEK-UHFFFAOYSA-O 1 0 395.548 3.884 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000104511366 898149234 /nfs/dbraw/zinc/14/92/34/898149234.db2.gz CEWNBUSTTIYDGR-AWEZNQCLSA-N 1 0 385.508 3.780 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)CC[N@@H+]2CC[C@H](F)C2)cc1 ZINC001136538423 898219427 /nfs/dbraw/zinc/21/94/27/898219427.db2.gz WZELNHSWJUQPRC-INIZCTEOSA-N 1 0 383.423 3.732 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001136557615 898272387 /nfs/dbraw/zinc/27/23/87/898272387.db2.gz KWLAYHMATARSDT-MRXNPFEDSA-N 1 0 383.305 3.976 20 30 GHEDRO N#Cc1c(F)c(I)ccc1Nc1ccc2c(c1)C[NH2+]C2 ZINC001160033380 898350877 /nfs/dbraw/zinc/35/08/77/898350877.db2.gz ILZWBPWFSOEMDU-UHFFFAOYSA-N 1 0 379.176 3.649 20 30 GHEDRO C[C@@H](CCc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001186025711 914259957 /nfs/dbraw/zinc/25/99/57/914259957.db2.gz BHLKGYPQZIRGHP-FQEVSTJZSA-N 1 0 375.516 3.930 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCCC[NH+]2CCCC2)cc1C ZINC000800151691 898671239 /nfs/dbraw/zinc/67/12/39/898671239.db2.gz QUMNKVPADPYGPR-UHFFFAOYSA-N 1 0 380.492 3.723 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000884057537 898708640 /nfs/dbraw/zinc/70/86/40/898708640.db2.gz JWFZVOWSFJAUEN-UZGQDQSDSA-N 1 0 379.891 3.685 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(C)C ZINC001136650223 898757053 /nfs/dbraw/zinc/75/70/53/898757053.db2.gz TYRUKQXGYXNTOK-QZTJIDSGSA-N 1 0 395.588 3.741 20 30 GHEDRO N#Cc1cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000569681319 898880829 /nfs/dbraw/zinc/88/08/29/898880829.db2.gz AJNQQVKBDYBEJL-PKOBYXMFSA-N 1 0 378.451 3.683 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1)C2 ZINC000884110446 898912949 /nfs/dbraw/zinc/91/29/49/898912949.db2.gz KRWKBSJCVKBPNP-BESSAKFISA-N 1 0 393.918 3.879 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1 ZINC000331625333 899034853 /nfs/dbraw/zinc/03/48/53/899034853.db2.gz RRIVSJLBVSGPRH-WIQPIVSASA-N 1 0 397.563 3.812 20 30 GHEDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570077287 899107607 /nfs/dbraw/zinc/10/76/07/899107607.db2.gz ZYKBFZSWYBNOFF-OALUTQOASA-N 1 0 379.504 3.581 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(Oc2ccccc2)c1 ZINC000884163883 899142984 /nfs/dbraw/zinc/14/29/84/899142984.db2.gz RTOJAPBEOIXQNV-FVRICEFQSA-N 1 0 375.472 3.543 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000823801589 899267742 /nfs/dbraw/zinc/26/77/42/899267742.db2.gz JYFJADDQXWACDV-HSALFYBXSA-N 1 0 390.572 3.522 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000570457990 899325009 /nfs/dbraw/zinc/32/50/09/899325009.db2.gz FLVKSLJCCNCLSG-CEWLAPEOSA-N 1 0 395.551 3.662 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884226371 899426966 /nfs/dbraw/zinc/42/69/66/899426966.db2.gz QSFPWONAAYVTIW-XIYVHUDFSA-N 1 0 394.544 3.777 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000570627727 899455049 /nfs/dbraw/zinc/45/50/49/899455049.db2.gz XHOCJGLQIFDHIR-LJQANCHMSA-N 1 0 390.531 3.984 20 30 GHEDRO C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(CC#N)CC1 ZINC000772878935 899548812 /nfs/dbraw/zinc/54/88/12/899548812.db2.gz FBWJCQWDMSFYBL-PKOBYXMFSA-N 1 0 378.561 3.522 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1OC(F)(F)F ZINC000332409650 899646080 /nfs/dbraw/zinc/64/60/80/899646080.db2.gz QNJWGMJNFOUAKX-HNNXBMFYSA-N 1 0 382.386 3.549 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1O ZINC000824580271 899698753 /nfs/dbraw/zinc/69/87/53/899698753.db2.gz CUWBXKKCLMLRNM-UHFFFAOYSA-N 1 0 375.266 3.675 20 30 GHEDRO CS(=O)(=O)c1ccc(C(=[NH2+])N[C@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001171065773 899802907 /nfs/dbraw/zinc/80/29/07/899802907.db2.gz AQGIHSSETSFNPY-AWEZNQCLSA-N 1 0 397.327 3.660 20 30 GHEDRO O=C(C[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)NCc1ccc(F)cc1 ZINC000571438400 899868777 /nfs/dbraw/zinc/86/87/77/899868777.db2.gz KNCBPQFWVHSJCZ-FQEVSTJZSA-N 1 0 382.454 3.735 20 30 GHEDRO O=C(C[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)NCc1ccc(F)cc1 ZINC000571438401 899869061 /nfs/dbraw/zinc/86/90/61/899869061.db2.gz KNCBPQFWVHSJCZ-HXUWFJFHSA-N 1 0 382.454 3.735 20 30 GHEDRO CC(C)c1cc(Br)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884378276 899975286 /nfs/dbraw/zinc/97/52/86/899975286.db2.gz NFYUHGJUTOUHPV-XYEKJYRLSA-N 1 0 376.298 3.650 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000825225917 900034750 /nfs/dbraw/zinc/03/47/50/900034750.db2.gz BHIVFXQNJNXKML-PWRODBHTSA-N 1 0 384.520 3.562 20 30 GHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000572050614 900045636 /nfs/dbraw/zinc/04/56/36/900045636.db2.gz MIYZPWHECTZHLE-SVMVAKDDSA-N 1 0 378.520 3.747 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000135288927 900216225 /nfs/dbraw/zinc/21/62/25/900216225.db2.gz HPUMSQCILJTRKW-GOSISDBHSA-N 1 0 382.439 3.514 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]([NH+](C)C)CC2)c1C#N ZINC000573047785 900351350 /nfs/dbraw/zinc/35/13/50/900351350.db2.gz PMSMTXCPZWNNLE-IBGZPJMESA-N 1 0 399.583 3.836 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@@H]2CCOC2)C2CC2)sc2c1CCCCC2 ZINC000046092596 900633279 /nfs/dbraw/zinc/63/32/79/900633279.db2.gz OPFZPXHOEOGPSF-HNNXBMFYSA-N 1 0 387.549 3.718 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289984289 914466248 /nfs/dbraw/zinc/46/62/48/914466248.db2.gz YJZXBDDIFACEJE-INIZCTEOSA-N 1 0 393.491 3.940 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000844356873 900761335 /nfs/dbraw/zinc/76/13/35/900761335.db2.gz UHPOSTNXFXUMIU-PWRODBHTSA-N 1 0 399.535 3.843 20 30 GHEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000844356933 900762076 /nfs/dbraw/zinc/76/20/76/900762076.db2.gz VZKVTGVWLRGHAA-UHFFFAOYSA-N 1 0 387.524 3.715 20 30 GHEDRO Cn1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000574075029 900764277 /nfs/dbraw/zinc/76/42/77/900764277.db2.gz CPYUTPPPIKCDBK-JOCHJYFZSA-N 1 0 376.504 3.740 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000054538686 900826070 /nfs/dbraw/zinc/82/60/70/900826070.db2.gz CONXLBNABFIVDZ-UHFFFAOYSA-N 1 0 393.491 3.527 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC000844457980 900849429 /nfs/dbraw/zinc/84/94/29/900849429.db2.gz BUADJNIKCOMFMP-VSKRKVRLSA-N 1 0 398.547 3.965 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(CC3(F)F)C2)sc2c1CCCC2 ZINC000844432487 900853951 /nfs/dbraw/zinc/85/39/51/900853951.db2.gz AFLSBMIEYOUKFX-SFHVURJKSA-N 1 0 379.476 3.948 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000574349269 900855540 /nfs/dbraw/zinc/85/55/40/900855540.db2.gz KKBJGFXJHNIEOF-UGKGYDQZSA-N 1 0 381.545 3.938 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000574587743 900933385 /nfs/dbraw/zinc/93/33/85/900933385.db2.gz XPOQWPCGORODDG-UHFFFAOYSA-N 1 0 399.539 3.505 20 30 GHEDRO N#CC1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000069125979 901105139 /nfs/dbraw/zinc/10/51/39/901105139.db2.gz ZSDYIDJDBODEJQ-UHFFFAOYSA-N 1 0 382.552 3.666 20 30 GHEDRO Cc1[nH]c(C2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)[nH+]c1C ZINC000886669601 901216772 /nfs/dbraw/zinc/21/67/72/901216772.db2.gz BBAUYNHEHHIKGG-UHFFFAOYSA-N 1 0 399.926 3.806 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)s1 ZINC000047010719 901236478 /nfs/dbraw/zinc/23/64/78/901236478.db2.gz QWFCHUCXRCUKFT-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000575771329 901287100 /nfs/dbraw/zinc/28/71/00/901287100.db2.gz LOGNHBSVZJBFSA-MJGOQNOKSA-N 1 0 378.394 3.776 20 30 GHEDRO N#Cc1cnn2c1NC[C@@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C2 ZINC000575868627 901408442 /nfs/dbraw/zinc/40/84/42/901408442.db2.gz FSKDVFWZXFAVRZ-SJKOYZFVSA-N 1 0 375.398 3.556 20 30 GHEDRO C#CCC1([NH2+]CCC(=O)N[C@H](c2cccs2)c2ccccc2)CCOCC1 ZINC000887123392 901444465 /nfs/dbraw/zinc/44/44/65/901444465.db2.gz NFBYFCUNNQGHEG-NRFANRHFSA-N 1 0 382.529 3.506 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1Cl ZINC000092010178 901465611 /nfs/dbraw/zinc/46/56/11/901465611.db2.gz QNVAJUXTOQWRBE-APWZRJJASA-N 1 0 375.900 3.584 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1O ZINC000092404791 901491169 /nfs/dbraw/zinc/49/11/69/901491169.db2.gz QKFPGLWJFYZMHE-UHFFFAOYSA-N 1 0 376.460 3.810 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC(C)(C)c1nc(C)c(C)s1)C(C)C ZINC000576027835 901604361 /nfs/dbraw/zinc/60/43/61/901604361.db2.gz NCMLMXMFOJKQGW-KRWDZBQOSA-N 1 0 378.586 3.993 20 30 GHEDRO Cc1ccc2c(CC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c[nH]c2c1 ZINC000845004346 901636080 /nfs/dbraw/zinc/63/60/80/901636080.db2.gz ZTTQRNKUKBNRJM-UHFFFAOYSA-N 1 0 386.499 3.671 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121661919 901652914 /nfs/dbraw/zinc/65/29/14/901652914.db2.gz BIKPMXZXOSLGMJ-KRWDZBQOSA-N 1 0 388.581 3.683 20 30 GHEDRO CC(=O)Oc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)cc1OC(C)=O ZINC001144286851 901654154 /nfs/dbraw/zinc/65/41/54/901654154.db2.gz BWMSKHKEXVDNRZ-UHFFFAOYSA-N 1 0 391.467 3.801 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](CCCc3ccc(Br)cc3)C2)C1=O ZINC001275528359 914559492 /nfs/dbraw/zinc/55/94/92/914559492.db2.gz SCRZXMGYTSXKBQ-FQEVSTJZSA-N 1 0 391.353 3.882 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](CCCc1ccc(Br)cc1)CC2 ZINC001275529367 914575367 /nfs/dbraw/zinc/57/53/67/914575367.db2.gz ZRODNLPOUJUSOY-GOSISDBHSA-N 1 0 391.353 3.786 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001144405520 902063480 /nfs/dbraw/zinc/06/34/80/902063480.db2.gz VBSPBOSWDYZHRN-OVKIHRCZSA-N 1 0 380.491 3.888 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144406045 902063678 /nfs/dbraw/zinc/06/36/78/902063678.db2.gz PYPPLGDZVMHBPL-FQEVSTJZSA-N 1 0 388.899 3.827 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001171179510 902095800 /nfs/dbraw/zinc/09/58/00/902095800.db2.gz SPYHBJCENCIEAH-MONBJTKQSA-N 1 0 399.535 3.637 20 30 GHEDRO [NH2+]=C(Nc1ccn(Cc2cccc(F)c2)c(=O)c1)c1ccc2cc(O)ccc2c1 ZINC001171184965 902167821 /nfs/dbraw/zinc/16/78/21/902167821.db2.gz CTQKOVMFXITFCO-UHFFFAOYSA-N 1 0 387.414 3.932 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001171186704 902196322 /nfs/dbraw/zinc/19/63/22/902196322.db2.gz YOHXNCHUEJHIAD-MAUKXSAKSA-N 1 0 393.478 3.971 20 30 GHEDRO COC(=O)c1cc(Br)ccc1C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171189763 902228947 /nfs/dbraw/zinc/22/89/47/902228947.db2.gz KYVYEZAXGUWVOH-CYBMUJFWSA-N 1 0 387.277 3.828 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC=C(c4ccccc4)C3)CC2)c1 ZINC000845741512 902329568 /nfs/dbraw/zinc/32/95/68/902329568.db2.gz FVVXTMDCIQAPER-UHFFFAOYSA-N 1 0 386.499 3.631 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(C[C@H](NC(=O)NC)c4ccc(C)cc43)CC2)cc1 ZINC001144572171 902403568 /nfs/dbraw/zinc/40/35/68/902403568.db2.gz SFEWZCKHTHHPDF-QHCPKHFHSA-N 1 0 387.527 3.884 20 30 GHEDRO C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@@H+](C2CCC2)C1 ZINC000577049845 902466973 /nfs/dbraw/zinc/46/69/73/902466973.db2.gz JTOYBXSAQHLFNK-QGZVFWFLSA-N 1 0 393.487 3.677 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000263779283 902517266 /nfs/dbraw/zinc/51/72/66/902517266.db2.gz VVQSILRPBXTYCX-GCJKJVERSA-N 1 0 391.519 3.710 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000127741630 902544644 /nfs/dbraw/zinc/54/46/44/902544644.db2.gz OUEULBSTBDHSQC-FQEVSTJZSA-N 1 0 389.499 3.695 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000577159683 902550724 /nfs/dbraw/zinc/55/07/24/902550724.db2.gz NMTURNGCIFNWFN-KUHUBIRLSA-N 1 0 391.500 3.570 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000263819700 902572303 /nfs/dbraw/zinc/57/23/03/902572303.db2.gz XKBCACHKAVQDSG-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000263990299 902744058 /nfs/dbraw/zinc/74/40/58/902744058.db2.gz JXTQXDBIXZBMMH-UHFFFAOYSA-N 1 0 376.279 3.600 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001171218265 902775356 /nfs/dbraw/zinc/77/53/56/902775356.db2.gz UCBGFKYNBVHCPW-GOSISDBHSA-N 1 0 387.487 3.566 20 30 GHEDRO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)[C@@H](C)Cc2cccc(C#N)c2)cn1 ZINC001171220554 902832599 /nfs/dbraw/zinc/83/25/99/902832599.db2.gz CCUWXZYEIBGRIW-KRWDZBQOSA-N 1 0 390.535 3.758 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CCC3)cc1 ZINC000600725419 902847236 /nfs/dbraw/zinc/84/72/36/902847236.db2.gz JKEOFUXEZKWBCF-WBVHZDCISA-N 1 0 383.517 3.840 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN([C@@H](C)Cc4cccc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001171221538 902853953 /nfs/dbraw/zinc/85/39/53/902853953.db2.gz OSIAYQAEKYNCGA-NGYIFUPDSA-N 1 0 375.516 3.635 20 30 GHEDRO COc1ccc2ccccc2c1-c1cc(C[NH2+]C[C@H](O)CC2(C#N)CC2)on1 ZINC000600733369 902856617 /nfs/dbraw/zinc/85/66/17/902856617.db2.gz YTWTZQNYMMYFCY-MRXNPFEDSA-N 1 0 377.444 3.648 20 30 GHEDRO CCCCOc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1Cl ZINC000600732771 902856818 /nfs/dbraw/zinc/85/68/18/902856818.db2.gz FSKMIFWEUJTBPH-QGZVFWFLSA-N 1 0 380.916 3.680 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CCOCC1 ZINC000600753134 902876979 /nfs/dbraw/zinc/87/69/79/902876979.db2.gz AAHQSEOXVFGYEP-KXBFYZLASA-N 1 0 387.911 3.860 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001171232642 903046885 /nfs/dbraw/zinc/04/68/85/903046885.db2.gz UULNUZVQTKKVCC-QGZVFWFLSA-N 1 0 382.529 3.772 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccncc3Br)CC2)nc1 ZINC000601112976 903344689 /nfs/dbraw/zinc/34/46/89/903344689.db2.gz CTXCTSCVRGNSJK-UHFFFAOYSA-N 1 0 387.281 3.591 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000601116935 903351263 /nfs/dbraw/zinc/35/12/63/903351263.db2.gz SCLZXNLCCWENBG-UHFFFAOYSA-N 1 0 387.281 3.591 20 30 GHEDRO N#Cc1cnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2sccc21 ZINC000601158533 903405475 /nfs/dbraw/zinc/40/54/75/903405475.db2.gz UXDBQXCMLNQRHP-UHFFFAOYSA-N 1 0 380.439 3.807 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000775040087 914715748 /nfs/dbraw/zinc/71/57/48/914715748.db2.gz PNFDZGMASXEJTF-IEBWSBKVSA-N 1 0 386.540 3.914 20 30 GHEDRO COc1cc(C[NH2+]Cc2cccc(OCC#N)c2)ccc1OCc1ccncc1 ZINC000126213589 903450674 /nfs/dbraw/zinc/45/06/74/903450674.db2.gz RXOVZOCIPVDNSZ-UHFFFAOYSA-N 1 0 389.455 3.861 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000134213252 903481290 /nfs/dbraw/zinc/48/12/90/903481290.db2.gz BNYQGOMMNLHFBH-IBGZPJMESA-O 1 0 383.537 3.634 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001146420582 903534783 /nfs/dbraw/zinc/53/47/83/903534783.db2.gz FTNXZZZEOSIAGO-IBGZPJMESA-N 1 0 395.588 3.959 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[N@H+](CC3CCCCC3)CC2)c(C#N)c1C ZINC000578118639 903535187 /nfs/dbraw/zinc/53/51/87/903535187.db2.gz AWOCGUCWPPQRNB-KRWDZBQOSA-N 1 0 386.540 3.683 20 30 GHEDRO N#Cc1ccc(CN(C(=O)CC2Cc3ccccc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001146811505 903605087 /nfs/dbraw/zinc/60/50/87/903605087.db2.gz TWKRKNMAJZKFPO-RQNOJGIXSA-N 1 0 387.527 3.962 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(C)s1)NCc1ccc(OC)cc1 ZINC000303384146 914739274 /nfs/dbraw/zinc/73/92/74/914739274.db2.gz UMINCURIFIANMV-UHFFFAOYSA-N 1 0 375.538 3.727 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)cc1OCCCC#N ZINC000265202387 903712835 /nfs/dbraw/zinc/71/28/35/903712835.db2.gz BDEUXWYDQNKJPS-NRFANRHFSA-N 1 0 398.503 3.988 20 30 GHEDRO COC(=O)[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000578379375 903783820 /nfs/dbraw/zinc/78/38/20/903783820.db2.gz LJEHJGCUJNPDOU-JTHBVZDNSA-N 1 0 391.515 3.664 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000578387002 903792170 /nfs/dbraw/zinc/79/21/70/903792170.db2.gz RASBQFBMJXJXSE-FQEVSTJZSA-N 1 0 394.906 3.576 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779070892 903844893 /nfs/dbraw/zinc/84/48/93/903844893.db2.gz KFYJSPQYVCQUGD-AEFFLSMTSA-N 1 0 396.466 3.760 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2OC)c1 ZINC000772984758 903863293 /nfs/dbraw/zinc/86/32/93/903863293.db2.gz PYYAZVGRKQOWSX-AEFFLSMTSA-N 1 0 381.476 3.883 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2sc3ccc(C#N)cc3c2C)[C@H](C)C1 ZINC000578558026 903959354 /nfs/dbraw/zinc/95/93/54/903959354.db2.gz XZZDRPQUNNVZHE-BEFAXECRSA-N 1 0 399.560 3.948 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000578621517 904011833 /nfs/dbraw/zinc/01/18/33/904011833.db2.gz WFBXCDARHPWKTI-QFIPXVFZSA-N 1 0 391.540 3.914 20 30 GHEDRO C[C@H](C#N)c1cccc(C(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001148614329 904139374 /nfs/dbraw/zinc/13/93/74/904139374.db2.gz RJHJLFROYIQIDA-LJQANCHMSA-N 1 0 388.515 3.837 20 30 GHEDRO C[C@@H](C#N)c1cccc(C(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c1 ZINC001148615020 904139438 /nfs/dbraw/zinc/13/94/38/904139438.db2.gz HWHPGYJPOBWHQF-INIZCTEOSA-N 1 0 385.471 3.656 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCc4c(F)cc(F)cc4C3)CC2)cc1 ZINC001171339912 904229342 /nfs/dbraw/zinc/22/93/42/904229342.db2.gz HEGZXGDZXYUTRJ-OAQYLSRUSA-N 1 0 381.470 3.948 20 30 GHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000578928685 904231319 /nfs/dbraw/zinc/23/13/19/904231319.db2.gz IIVGCKADEMWWRP-UHFFFAOYSA-N 1 0 392.507 3.708 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC000773042493 904393544 /nfs/dbraw/zinc/39/35/44/904393544.db2.gz BFBLKPNALRPKPD-XXBNENTESA-N 1 0 376.500 3.583 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000779147633 904677036 /nfs/dbraw/zinc/67/70/36/904677036.db2.gz ILTZNPONLXNKQE-UHFFFAOYSA-N 1 0 380.879 3.774 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000773286978 904683181 /nfs/dbraw/zinc/68/31/81/904683181.db2.gz QJNYFHRWZBDKTI-UHFFFAOYSA-N 1 0 384.568 3.682 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)CC1 ZINC001171475637 904750328 /nfs/dbraw/zinc/75/03/28/904750328.db2.gz FLUBOWHWCUAUDO-KRWDZBQOSA-N 1 0 376.447 3.543 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000826662109 904814558 /nfs/dbraw/zinc/81/45/58/904814558.db2.gz GIGGEQXDQUDBCD-UHFFFAOYSA-N 1 0 399.535 3.708 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ncc(C#N)s2)C[C@H]1C(C)(C)C ZINC001171593058 904819938 /nfs/dbraw/zinc/81/99/38/904819938.db2.gz IOKHILPHLXKAEO-ZFWWWQNUSA-N 1 0 378.542 3.919 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC001171876612 905080504 /nfs/dbraw/zinc/08/05/04/905080504.db2.gz GBNHJTHJAPJMIL-NRFANRHFSA-N 1 0 377.488 3.612 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000173885875 905154629 /nfs/dbraw/zinc/15/46/29/905154629.db2.gz HDMNXDLUZSIKDN-ZWKOTPCHSA-N 1 0 392.503 3.939 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)cc1C#N ZINC000174262990 905236433 /nfs/dbraw/zinc/23/64/33/905236433.db2.gz ZETZLNNOYKMHOQ-UHFFFAOYSA-N 1 0 380.366 3.806 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc(C#N)c3C)CC[N@@H+]2C2CC2)c1 ZINC000189740868 905281384 /nfs/dbraw/zinc/28/13/84/905281384.db2.gz VSPZBIAVGZQAQF-FGZHOGPDSA-N 1 0 390.487 3.975 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)cc1C#N ZINC001203339132 905346350 /nfs/dbraw/zinc/34/63/50/905346350.db2.gz LTWWBFRZNGSODK-VLQPXKRTSA-N 1 0 385.508 3.833 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001172301366 905454411 /nfs/dbraw/zinc/45/44/11/905454411.db2.gz NIIZIRFZFWZSIS-LLBVYWAGSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001172304190 905457534 /nfs/dbraw/zinc/45/75/34/905457534.db2.gz IYWLYQRBMRCGDL-WMZHIEFXSA-N 1 0 375.516 3.703 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H](C)Cc4ccc(C#N)cc4)CC[N@@H+]3C2)cc1 ZINC001172306442 905461144 /nfs/dbraw/zinc/46/11/44/905461144.db2.gz KBWPJNQPEYPEGK-ZFJSRUIDSA-N 1 0 375.516 3.635 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001172308009 905464983 /nfs/dbraw/zinc/46/49/83/905464983.db2.gz SGKSWLLISKDEEB-QTGUNEKASA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)n1ccc2c1ncnc2N(C)[C@H]1C[NH2+]CC[C@H]1C ZINC001172311114 905468936 /nfs/dbraw/zinc/46/89/36/905468936.db2.gz PAOLIVHNXALDHI-WWMYMODYSA-N 1 0 388.519 3.541 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C1COC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172319276 905471755 /nfs/dbraw/zinc/47/17/55/905471755.db2.gz LXXWCZGEJISJHM-QGZVFWFLSA-N 1 0 399.535 3.590 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001172290660 905480622 /nfs/dbraw/zinc/48/06/22/905480622.db2.gz RCWBMKNGKPCPSX-LLUDDFSJSA-N 1 0 383.536 3.972 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC001172300120 905484379 /nfs/dbraw/zinc/48/43/79/905484379.db2.gz RASCFEXPUWACPJ-VDGAXYAQSA-N 1 0 379.479 3.959 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)CCO[C@H](C)CC)CC2 ZINC001172331768 905497499 /nfs/dbraw/zinc/49/74/99/905497499.db2.gz RLJDXLZWLOFSJT-QZTJIDSGSA-N 1 0 375.557 3.948 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001172354879 905523811 /nfs/dbraw/zinc/52/38/11/905523811.db2.gz LFNQGWICUWDUAV-YSFYHYPLSA-N 1 0 394.600 3.711 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001172353692 905524074 /nfs/dbraw/zinc/52/40/74/905524074.db2.gz AOJFERWMXNIQFU-NFBKMPQASA-N 1 0 393.616 3.965 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001172358236 905526291 /nfs/dbraw/zinc/52/62/91/905526291.db2.gz OFBVAKDDJSLNHM-WCIQWLHISA-N 1 0 388.556 3.749 20 30 GHEDRO C[C@H](CCCC#N)[N@@H+]1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001172495007 905598484 /nfs/dbraw/zinc/59/84/84/905598484.db2.gz APHWMBPUCASWOK-QGZVFWFLSA-N 1 0 379.508 3.708 20 30 GHEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001172500236 905600099 /nfs/dbraw/zinc/60/00/99/905600099.db2.gz YBWNXMMMWMMFMD-WNOPAQSVSA-N 1 0 388.515 3.986 20 30 GHEDRO CCCCCCCC[C@H](CC)[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001172505275 905602171 /nfs/dbraw/zinc/60/21/71/905602171.db2.gz LJWKGICSIRIWBM-AABGKKOBSA-N 1 0 387.634 3.576 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000175837700 905678590 /nfs/dbraw/zinc/67/85/90/905678590.db2.gz QMPWZOWBYAPEBW-OALUTQOASA-N 1 0 383.517 3.583 20 30 GHEDRO C#C[C@H](C)[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172685228 905736660 /nfs/dbraw/zinc/73/66/60/905736660.db2.gz VBXONUYHVAMKJV-ICSRJNTNSA-N 1 0 382.529 3.507 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@@H]4Cc5ccc(Cl)cc5C4)C3)CC2=O)c1 ZINC001172718091 905767923 /nfs/dbraw/zinc/76/79/23/905767923.db2.gz JHZOAMCVYLCVCU-GGAORHGYSA-N 1 0 391.902 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H]1C#N ZINC001172969040 906030626 /nfs/dbraw/zinc/03/06/26/906030626.db2.gz VGFBZTVCZIAQCR-SFTDATJTSA-N 1 0 398.551 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[C@H]1C#N ZINC001172971880 906034586 /nfs/dbraw/zinc/03/45/86/906034586.db2.gz SXGWEVQAIJAYHX-CABCVRRESA-N 1 0 381.423 3.669 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1C#N ZINC001172976954 906041952 /nfs/dbraw/zinc/04/19/52/906041952.db2.gz XXCDBXNZONXWTG-ROUUACIJSA-N 1 0 385.508 3.781 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2ccc3ccccc3n2)C[C@H]1C#N ZINC001172980764 906047908 /nfs/dbraw/zinc/04/79/08/906047908.db2.gz GCNNJEKVHDSFNS-OALUTQOASA-N 1 0 380.492 3.659 20 30 GHEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172998524 906072611 /nfs/dbraw/zinc/07/26/11/906072611.db2.gz HCSPSJVNLUUSOE-UHFFFAOYSA-N 1 0 390.462 3.631 20 30 GHEDRO [NH2+]=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc2cc(O)ccc2c1 ZINC001172998574 906073226 /nfs/dbraw/zinc/07/32/26/906073226.db2.gz HOAKGCMRQZRYBF-UHFFFAOYSA-N 1 0 391.446 3.695 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCc4ncsc4C3)CC2)C1 ZINC001173129080 906211658 /nfs/dbraw/zinc/21/16/58/906211658.db2.gz IXBYWGWUOKCZRZ-MRXNPFEDSA-N 1 0 375.538 3.501 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H]2CC[C@@H]3[C@@H]2OCCN3C(=O)OC(C)(C)C)CC1 ZINC001173311483 906364804 /nfs/dbraw/zinc/36/48/04/906364804.db2.gz JZCBFQDTXPSXQV-WYRHQLMOSA-N 1 0 394.556 3.504 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)CC1 ZINC001173321423 906370591 /nfs/dbraw/zinc/37/05/91/906370591.db2.gz LMPNQYCUDZKLTD-ZSTXGWIISA-N 1 0 386.536 3.736 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)CC1 ZINC001173321226 906370953 /nfs/dbraw/zinc/37/09/53/906370953.db2.gz JLBDDQIMSVQJRX-JTPDYBDNSA-N 1 0 386.536 3.734 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)CC1 ZINC001173332753 906375040 /nfs/dbraw/zinc/37/50/40/906375040.db2.gz FPZNAZWVTFRWBF-RUMCYPHMSA-N 1 0 383.536 3.942 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)CC1 ZINC001173332582 906375589 /nfs/dbraw/zinc/37/55/89/906375589.db2.gz CBHKFPMGZFXVDB-RUMCYPHMSA-N 1 0 383.536 3.942 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC1 ZINC001173335788 906379698 /nfs/dbraw/zinc/37/96/98/906379698.db2.gz YLXBQALESJWUBG-FQVRHNBASA-N 1 0 380.492 3.708 20 30 GHEDRO C=CCOC1CCC([NH2+][C@@H]2Cc3ccc(I)cc3C2)CC1 ZINC001173314973 906387886 /nfs/dbraw/zinc/38/78/86/906387886.db2.gz YCBMOYHCUCOKSI-LXPRWKDFSA-N 1 0 397.300 3.862 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001173319932 906388902 /nfs/dbraw/zinc/38/89/02/906388902.db2.gz BFZCEGPTGKIJAB-TTWXDQCFSA-N 1 0 386.536 3.591 20 30 GHEDRO C=CCOC1CCC([N@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)CC1 ZINC001173320006 906390366 /nfs/dbraw/zinc/39/03/66/906390366.db2.gz DOIHUWRJKDWMLT-ULNGXPRHSA-N 1 0 383.536 3.542 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCc3c(F)cccc3Cl)CC2)cc1 ZINC001173421216 906456858 /nfs/dbraw/zinc/45/68/58/906456858.db2.gz QLASCZCCYZEAMP-UHFFFAOYSA-N 1 0 385.870 3.788 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(n3cc(CCC[NH3+])c4ccccc43)CC2)cc1 ZINC001173423611 906458316 /nfs/dbraw/zinc/45/83/16/906458316.db2.gz KLUWKGBOIISWBZ-UHFFFAOYSA-N 1 0 386.499 3.882 20 30 GHEDRO CCCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173426159 906461421 /nfs/dbraw/zinc/46/14/21/906461421.db2.gz QZAQXVJCVURURP-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4c3cc(F)cc4F)CC2)cc1 ZINC001173425753 906461758 /nfs/dbraw/zinc/46/17/58/906461758.db2.gz DBJLIFQZYVFPQD-NRFANRHFSA-N 1 0 381.426 3.718 20 30 GHEDRO CSc1ccc(OCC[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173427347 906463519 /nfs/dbraw/zinc/46/35/19/906463519.db2.gz RVCNAVXMENCNAG-UHFFFAOYSA-N 1 0 395.528 3.553 20 30 GHEDRO Cc1ccccc1O[C@@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173431314 906468308 /nfs/dbraw/zinc/46/83/08/906468308.db2.gz FTWYDGJQNVKUTC-JOCHJYFZSA-N 1 0 389.499 3.625 20 30 GHEDRO C[N@H+](CCc1ccccc1Cl)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173432480 906468772 /nfs/dbraw/zinc/46/87/72/906468772.db2.gz BPZDIKMNCTVLPU-UHFFFAOYSA-N 1 0 381.907 3.991 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC3(C[C@@H]3C(=O)OCC)CC1)CCO2 ZINC001173615315 906543381 /nfs/dbraw/zinc/54/33/81/906543381.db2.gz IHCOPSFRMAAWNM-RWNLXUGJSA-N 1 0 391.552 3.572 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH2+]C3CCC(C)(C#N)CC3)CO2)CC1 ZINC001173586761 906545148 /nfs/dbraw/zinc/54/51/48/906545148.db2.gz FQGHXPBXOBJJHR-GNZRSQJKSA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCCC[C@@H]2[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173586664 906545580 /nfs/dbraw/zinc/54/55/80/906545580.db2.gz DIVUDALILJVYJV-IVFBNWJGSA-N 1 0 391.556 3.997 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC1 ZINC001173596250 906551124 /nfs/dbraw/zinc/55/11/24/906551124.db2.gz PBFBACYIXSWBLU-UDJZJCJKSA-N 1 0 380.492 3.708 20 30 GHEDRO Cc1nc(CN2CCO[C@H]3CC[N@@H+](C4CCC(C)(C#N)CC4)CC[C@@H]32)cs1 ZINC001173596259 906551554 /nfs/dbraw/zinc/55/15/54/906551554.db2.gz PLTRGZPTJYFJQI-OMYXNUHHSA-N 1 0 388.581 3.589 20 30 GHEDRO CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)C1 ZINC001173659099 906595064 /nfs/dbraw/zinc/59/50/64/906595064.db2.gz TXHWBGTZHMITEB-WMZOPIPTSA-N 1 0 386.492 3.532 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000180024558 906665983 /nfs/dbraw/zinc/66/59/83/906665983.db2.gz LZZXFIAEKQSKNE-SFHVURJKSA-N 1 0 378.476 3.717 20 30 GHEDRO COc1c(Br)cc(Br)c(Nc2cc[nH+]cc2)c1C#N ZINC001173884445 906745852 /nfs/dbraw/zinc/74/58/52/906745852.db2.gz JACDRAWZDLBUKM-UHFFFAOYSA-N 1 0 383.043 3.652 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000180522466 906786352 /nfs/dbraw/zinc/78/63/52/906786352.db2.gz FMQJVGGFWDYDGN-UHFFFAOYSA-N 1 0 391.231 3.848 20 30 GHEDRO N#CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000180557698 906793102 /nfs/dbraw/zinc/79/31/02/906793102.db2.gz KDLYVEVPQMEGBH-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO CCN(C(=O)Cc1ccccc1CC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000777366453 906907488 /nfs/dbraw/zinc/90/74/88/906907488.db2.gz DIMVHFYFZVJSOD-AUSIDOKSSA-N 1 0 375.516 3.979 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000299279049 921277801 /nfs/dbraw/zinc/27/78/01/921277801.db2.gz UFTGDHGJLSMYQN-UHFFFAOYSA-N 1 0 397.426 3.629 20 30 GHEDRO COCCCOc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182056065 907122879 /nfs/dbraw/zinc/12/28/79/907122879.db2.gz NOEKOUGHDXPCKY-UHFFFAOYSA-N 1 0 393.531 3.728 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(C(F)(F)F)c(C#N)cc3N)cc2)CC1 ZINC001174816954 907216749 /nfs/dbraw/zinc/21/67/49/907216749.db2.gz DMTAUYGSXUSCJJ-UHFFFAOYSA-N 1 0 375.398 3.655 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 ZINC000182529814 907224372 /nfs/dbraw/zinc/22/43/72/907224372.db2.gz DMAQRUYUZNQOBJ-JBLFJGJOSA-N 1 0 384.524 3.615 20 30 GHEDRO C[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ncc(-c2ccccc2)o1 ZINC000299426497 921309056 /nfs/dbraw/zinc/30/90/56/921309056.db2.gz UXCPWHNUPVIDOE-CZUORRHYSA-N 1 0 378.457 3.731 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1Cl ZINC000192110904 907421650 /nfs/dbraw/zinc/42/16/50/907421650.db2.gz KSMKTRPNXGFUNO-HKUYNNGSSA-N 1 0 391.805 3.548 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1Cl ZINC000192110892 907422369 /nfs/dbraw/zinc/42/23/69/907422369.db2.gz KSMKTRPNXGFUNO-MJGOQNOKSA-N 1 0 391.805 3.548 20 30 GHEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000186697303 907968797 /nfs/dbraw/zinc/96/87/97/907968797.db2.gz PDJXIECCTNDZRB-CJNGLKHVSA-N 1 0 376.522 3.647 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccccc1 ZINC000186973130 908013695 /nfs/dbraw/zinc/01/36/95/908013695.db2.gz NUHUYIUXIQRKDP-UHFFFAOYSA-O 1 0 386.541 3.839 20 30 GHEDRO CC(C)CC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176687727 908212816 /nfs/dbraw/zinc/21/28/16/908212816.db2.gz LXPQUIJNNOMXIJ-MXWKQRLJSA-N 1 0 383.323 3.886 20 30 GHEDRO CC(C)(C)n1cncc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001176990308 908350645 /nfs/dbraw/zinc/35/06/45/908350645.db2.gz GUVPSZDMPZGMFO-GOSISDBHSA-N 1 0 379.508 3.718 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177214715 908458036 /nfs/dbraw/zinc/45/80/36/908458036.db2.gz PBXQTIDMMLCTAJ-SFHVURJKSA-N 1 0 379.504 3.736 20 30 GHEDRO COc1cccc(NC(=S)NN=C(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000779760442 908620691 /nfs/dbraw/zinc/62/06/91/908620691.db2.gz XIZJTMFYAHSDEO-SFHVURJKSA-N 1 0 382.533 3.880 20 30 GHEDRO COc1ccc(CNC(=S)NN=C(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779760093 908622219 /nfs/dbraw/zinc/62/22/19/908622219.db2.gz MLEJOELTHPHAAV-FQEVSTJZSA-N 1 0 396.560 3.557 20 30 GHEDRO C#CCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001178165829 908918945 /nfs/dbraw/zinc/91/89/45/908918945.db2.gz KSAGSZHTWWHNGP-UHFFFAOYSA-N 1 0 385.335 3.598 20 30 GHEDRO N#CCOc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000195400524 909005273 /nfs/dbraw/zinc/00/52/73/909005273.db2.gz PJGVOUPOZASWSE-UHFFFAOYSA-N 1 0 377.488 3.895 20 30 GHEDRO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000266473739 909182460 /nfs/dbraw/zinc/18/24/60/909182460.db2.gz UZHZSEFUHXOFMA-RXVVDRJESA-N 1 0 376.504 3.783 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C)cc3Br)CC2)C1=O ZINC001276025389 921475266 /nfs/dbraw/zinc/47/52/66/921475266.db2.gz NIARFUCKGBFHIQ-FQEVSTJZSA-N 1 0 389.337 3.595 20 30 GHEDRO CC1(C)Cc2cc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2O1 ZINC000780003861 909266882 /nfs/dbraw/zinc/26/68/82/909266882.db2.gz YEUQYUMHNAKTDT-FQEVSTJZSA-N 1 0 375.472 3.557 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[N@@H+](CC)CC2(C)C)s1 ZINC001178860484 909287514 /nfs/dbraw/zinc/28/75/14/909287514.db2.gz CRLASIBLXYPXKB-CQSZACIVSA-N 1 0 388.002 3.685 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1OC ZINC001179348153 909476369 /nfs/dbraw/zinc/47/63/69/909476369.db2.gz PPWSRXNFEVYFCW-LKQDWFRTSA-N 1 0 384.314 3.924 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000245570402 909749810 /nfs/dbraw/zinc/74/98/10/909749810.db2.gz WZHWKNQFBGMVAR-QUCCMNQESA-N 1 0 377.488 3.619 20 30 GHEDRO Cc1nc2sccn2c1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000268189556 909793039 /nfs/dbraw/zinc/79/30/39/909793039.db2.gz DQSSBOUJDNTMIT-UHFFFAOYSA-N 1 0 399.545 3.587 20 30 GHEDRO COc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3C[C@H](O)c3ccc(C#N)cc3)n2)c1 ZINC000366371534 921543322 /nfs/dbraw/zinc/54/33/22/921543322.db2.gz LPFJWBOYADGYST-VXKWHMMOSA-N 1 0 388.471 3.827 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)OCC ZINC000270013268 910407317 /nfs/dbraw/zinc/40/73/17/910407317.db2.gz BKWABUVPSRPGOT-GOSISDBHSA-N 1 0 399.457 3.767 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001181120901 910556441 /nfs/dbraw/zinc/55/64/41/910556441.db2.gz CVOVBPAULNQNAC-ILWGZMRPSA-N 1 0 387.568 3.880 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000270508059 910594224 /nfs/dbraw/zinc/59/42/24/910594224.db2.gz WAWOHUGINCZEFJ-UHFFFAOYSA-N 1 0 395.526 3.549 20 30 GHEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000271055756 910769968 /nfs/dbraw/zinc/76/99/68/910769968.db2.gz CPMABVQAFCKVNW-RYHLMMNBSA-N 1 0 397.544 3.649 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000271089281 910778096 /nfs/dbraw/zinc/77/80/96/910778096.db2.gz VLAXLHXSMVSBPG-UHFFFAOYSA-N 1 0 382.529 3.595 20 30 GHEDRO N#Cc1ccccc1CC(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001181804847 910993120 /nfs/dbraw/zinc/99/31/20/910993120.db2.gz BFYUWGCACDXJJY-UHFFFAOYSA-N 1 0 387.405 3.596 20 30 GHEDRO COc1ccc(C#CC(=O)N2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)cc1 ZINC001182047545 911157100 /nfs/dbraw/zinc/15/71/00/911157100.db2.gz SNQFABHEKJRTGX-QHCPKHFHSA-N 1 0 388.511 3.702 20 30 GHEDRO CC[C@H]([NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000774135305 911438951 /nfs/dbraw/zinc/43/89/51/911438951.db2.gz QFQOWXGQEDIVMI-FQEVSTJZSA-N 1 0 386.540 3.542 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000774241300 911527183 /nfs/dbraw/zinc/52/71/83/911527183.db2.gz BTTMHPIIEGVUQC-QRQLOZEOSA-N 1 0 383.452 3.746 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000641986051 911646403 /nfs/dbraw/zinc/64/64/03/911646403.db2.gz IVPCXKQOTTZEPO-OAQYLSRUSA-N 1 0 380.488 3.827 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001182433453 911653460 /nfs/dbraw/zinc/65/34/60/911653460.db2.gz IVNHPZALEUXRFM-IRLDBZIGSA-N 1 0 375.472 3.936 20 30 GHEDRO COC(=O)c1scc(C#N)c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186917198 914899150 /nfs/dbraw/zinc/89/91/50/914899150.db2.gz ZLPDICNTJKPJAV-UHFFFAOYSA-N 1 0 383.473 3.645 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)cc3)CC2)C1=O ZINC001275590239 915095153 /nfs/dbraw/zinc/09/51/53/915095153.db2.gz UJAPQUREVVELGP-IBGZPJMESA-N 1 0 377.326 3.840 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303769479 915114151 /nfs/dbraw/zinc/11/41/51/915114151.db2.gz BKODDLWCAIRMCT-UGKGYDQZSA-N 1 0 393.531 3.931 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000303863311 915222766 /nfs/dbraw/zinc/22/27/66/915222766.db2.gz AFQFHYAUYQZSDK-HXUWFJFHSA-N 1 0 384.524 3.822 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cccc(CN3CCO[C@H](C)C3)c2)c1 ZINC000303865850 915223789 /nfs/dbraw/zinc/22/37/89/915223789.db2.gz BUUAYYVDSYOVIV-GOSISDBHSA-N 1 0 380.536 3.958 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCNC(=O)c1ccccc1F)c1ccc(Cl)cc1Cl ZINC000303870122 915228726 /nfs/dbraw/zinc/22/87/26/915228726.db2.gz FGFNRFHGVTXXKA-NSHDSACASA-N 1 0 397.281 3.528 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2cccnc2OCC(F)(F)F)cc1 ZINC000303876158 915235240 /nfs/dbraw/zinc/23/52/40/915235240.db2.gz DSCBPUXKMXTYHE-UHFFFAOYSA-N 1 0 382.386 3.737 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000303876834 915235530 /nfs/dbraw/zinc/23/55/30/915235530.db2.gz FBERHAFCYCENNR-INIZCTEOSA-N 1 0 382.508 3.594 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)c1cccc(Br)c1 ZINC000796379669 915275233 /nfs/dbraw/zinc/27/52/33/915275233.db2.gz DQRWNUABSVFNQP-GOSISDBHSA-N 1 0 380.282 3.646 20 30 GHEDRO CCOc1ccccc1Oc1ccc(CNC(=[NH2+])NCCc2ccccc2)cn1 ZINC000303885569 915297943 /nfs/dbraw/zinc/29/79/43/915297943.db2.gz JUAHTXJYMOAMJF-UHFFFAOYSA-N 1 0 390.487 3.920 20 30 GHEDRO CN(C)C(NCc1cccc(NC(=O)N2CCCC2)c1)=[NH+]Cc1ccccc1 ZINC000303895476 915300405 /nfs/dbraw/zinc/30/04/05/915300405.db2.gz TWDQMCLEYNSVPU-UHFFFAOYSA-N 1 0 379.508 3.522 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000303906174 915307666 /nfs/dbraw/zinc/30/76/66/915307666.db2.gz ZTJKWLSNHHDEEY-QGZVFWFLSA-N 1 0 396.535 3.657 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000796383908 915324112 /nfs/dbraw/zinc/32/41/12/915324112.db2.gz LNYMOYZVKNCEQC-SFHVURJKSA-N 1 0 398.272 3.785 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cccc(Br)c3F)C2)C1=O ZINC001275630688 915440646 /nfs/dbraw/zinc/44/06/46/915440646.db2.gz JMXZORNMYGAQIU-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC001187724227 915479979 /nfs/dbraw/zinc/47/99/79/915479979.db2.gz NFKDIPQPINPXBC-UHFFFAOYSA-N 1 0 390.634 3.531 20 30 GHEDRO [NH2+]=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N[C@H]1CCOc2ccccc21 ZINC000304489502 915525283 /nfs/dbraw/zinc/52/52/83/915525283.db2.gz MYCJTYKFIJYANG-IBGZPJMESA-N 1 0 392.434 3.941 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001187870814 915596746 /nfs/dbraw/zinc/59/67/46/915596746.db2.gz FOFBYXJQKFVHRB-UHFFFAOYSA-N 1 0 384.911 3.577 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCCNc2nccc(C(F)(F)F)n2)cc1 ZINC000304757974 915674032 /nfs/dbraw/zinc/67/40/32/915674032.db2.gz PLXBGLLDBSERMM-LBPRGKRZSA-N 1 0 380.418 3.848 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccnc(OC3CCC(C)CC3)c2)cc1OC ZINC000304761282 915699324 /nfs/dbraw/zinc/69/93/24/915699324.db2.gz UEVYRKINQSLZPZ-UHFFFAOYSA-N 1 0 398.507 3.983 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCc1cncn1Cc1ccccc1OC ZINC001188030484 915722010 /nfs/dbraw/zinc/72/20/10/915722010.db2.gz OUEUNJGOPSHNJS-UHFFFAOYSA-N 1 0 393.553 3.720 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(Oc3ccccc3I)CC2)C1 ZINC000292799632 915850891 /nfs/dbraw/zinc/85/08/91/915850891.db2.gz MFCTZPDTMHQBGM-KBPBESRZSA-N 1 0 396.272 3.827 20 30 GHEDRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)c2cccc(CC#N)c2)CC1 ZINC001188682771 916107335 /nfs/dbraw/zinc/10/73/35/916107335.db2.gz YMSCFCUWTHCUJP-UHFFFAOYSA-N 1 0 381.451 3.865 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Br)c3)C2)C1=O ZINC001275708746 916247632 /nfs/dbraw/zinc/24/76/32/916247632.db2.gz GSDZZIRBZNSSJP-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000294923260 917054124 /nfs/dbraw/zinc/05/41/24/917054124.db2.gz BANCKFLTQHDXMM-CABZTGNLSA-N 1 0 387.119 3.966 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCCO1 ZINC000775342469 917064568 /nfs/dbraw/zinc/06/45/68/917064568.db2.gz RQMRKVUAAFQXLK-CVEARBPZSA-N 1 0 377.307 3.843 20 30 GHEDRO Cc1ccccc1[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000796431778 917124099 /nfs/dbraw/zinc/12/40/99/917124099.db2.gz RPXXIAZGWSQPJU-QHCPKHFHSA-N 1 0 377.488 3.641 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CCC(C)C)cc1 ZINC001190427205 917331311 /nfs/dbraw/zinc/33/13/11/917331311.db2.gz OZEPMDNOKMKANH-UHFFFAOYSA-N 1 0 382.508 3.891 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC001190902285 917615266 /nfs/dbraw/zinc/61/52/66/917615266.db2.gz YUPFTHWBTKDTTE-QUCCMNQESA-N 1 0 391.515 3.558 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001190956948 917694942 /nfs/dbraw/zinc/69/49/42/917694942.db2.gz NVDIHIINSPMXHG-UHFFFAOYSA-N 1 0 386.499 3.776 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000363371293 918164895 /nfs/dbraw/zinc/16/48/95/918164895.db2.gz DXTBMYSPUQVHQB-JKSUJKDBSA-N 1 0 395.341 3.739 20 30 GHEDRO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(OCC#N)cc2)CC1 ZINC000796552215 918199725 /nfs/dbraw/zinc/19/97/25/918199725.db2.gz ZTIFSIYFXZXAQZ-FQEVSTJZSA-N 1 0 385.508 3.812 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000653663833 918397301 /nfs/dbraw/zinc/39/73/01/918397301.db2.gz OYMPEPJPBWNKBJ-OALUTQOASA-N 1 0 377.895 3.572 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000654193642 918873276 /nfs/dbraw/zinc/87/32/76/918873276.db2.gz RNOOGMNYLNXXQY-UHFFFAOYSA-N 1 0 397.498 3.662 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654658770 919278251 /nfs/dbraw/zinc/27/82/51/919278251.db2.gz RQHSNYYFEQAHPQ-AKAXFMLLSA-N 1 0 398.320 3.626 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1OCC ZINC000116342870 919504008 /nfs/dbraw/zinc/50/40/08/919504008.db2.gz LKDCKCHKJHJIGG-HOTGVXAUSA-N 1 0 384.314 3.806 20 30 GHEDRO N#C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000116754698 919518622 /nfs/dbraw/zinc/51/86/22/919518622.db2.gz XXMDIMNQIIECHF-NRFANRHFSA-N 1 0 396.922 3.623 20 30 GHEDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000116879322 919522607 /nfs/dbraw/zinc/52/26/07/919522607.db2.gz BPMZAQAFLYJAEF-NRFANRHFSA-N 1 0 379.504 3.672 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000119109265 919603133 /nfs/dbraw/zinc/60/31/33/919603133.db2.gz WDXOKCXARXLRIW-UHFFFAOYSA-N 1 0 389.499 3.582 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000364577690 919666119 /nfs/dbraw/zinc/66/61/19/919666119.db2.gz RIRILOPUEPMNCO-DOTOQJQBSA-N 1 0 379.426 3.898 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)ccc1Br)CC2 ZINC001275927779 919809590 /nfs/dbraw/zinc/80/95/90/919809590.db2.gz WERGSKQEVJKDDX-INIZCTEOSA-N 1 0 377.326 3.662 20 30 GHEDRO CC[C@H](CC#N)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000364940382 920222299 /nfs/dbraw/zinc/22/22/99/920222299.db2.gz MAEWWWDBOSAGMD-OAHLLOKOSA-N 1 0 378.314 3.644 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000800774170 920446609 /nfs/dbraw/zinc/44/66/09/920446609.db2.gz PLPBONGMEWOMLC-UHFFFAOYSA-N 1 0 386.931 3.634 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000800851463 920527873 /nfs/dbraw/zinc/52/78/73/920527873.db2.gz BJYNWOIOFDTITK-UHFFFAOYSA-N 1 0 388.533 3.638 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000298692756 920816296 /nfs/dbraw/zinc/81/62/96/920816296.db2.gz ZNFXKOXZLZBNME-QGZVFWFLSA-N 1 0 392.286 3.907 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000801482945 921064766 /nfs/dbraw/zinc/06/47/66/921064766.db2.gz ARSWESSVZLZKQC-NRFANRHFSA-N 1 0 379.504 3.697 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC(C#N)(c2ccccn2)CC1 ZINC000367058111 921898243 /nfs/dbraw/zinc/89/82/43/921898243.db2.gz PYAZQZFFJCQXEF-KRWDZBQOSA-N 1 0 385.471 3.514 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000367132221 921937031 /nfs/dbraw/zinc/93/70/31/921937031.db2.gz ZKJKWZJOTXAJBW-NRFANRHFSA-N 1 0 376.504 3.548 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000367605674 922224911 /nfs/dbraw/zinc/22/49/11/922224911.db2.gz GLNMDBPEWGKCJL-HSZRJFAPSA-N 1 0 390.462 3.696 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000367903943 922370602 /nfs/dbraw/zinc/37/06/02/922370602.db2.gz OGOKDEAEOQEGOZ-KZNAEPCWSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(c3ccc(F)c(OC)c3)CC2)c1O ZINC000802744594 922374490 /nfs/dbraw/zinc/37/44/90/922374490.db2.gz XHASMYUNRVVETN-UHFFFAOYSA-N 1 0 386.467 3.599 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000902871567 922571380 /nfs/dbraw/zinc/57/13/80/922571380.db2.gz QKZJGATWLCHUCL-JOCHJYFZSA-N 1 0 397.544 3.593 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C2(C3CC3)CCOCC2)c1C#N ZINC000368490231 922708994 /nfs/dbraw/zinc/70/89/94/922708994.db2.gz LWNJSXAIVOXVMT-UHFFFAOYSA-N 1 0 398.551 3.969 20 30 GHEDRO CCC(=O)N1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000369349004 923293827 /nfs/dbraw/zinc/29/38/27/923293827.db2.gz KUOZWKHJZLXENW-UHFFFAOYSA-N 1 0 375.516 3.831 20 30 GHEDRO C[C@H](C#N)Oc1ccc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157859 923912170 /nfs/dbraw/zinc/91/21/70/923912170.db2.gz AVBVFGFZKKNXJB-OXQOHEQNSA-N 1 0 396.491 3.982 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)C2)c(F)c1 ZINC000371609755 924715859 /nfs/dbraw/zinc/71/58/59/924715859.db2.gz XHSZNYCBKXQOKA-QGZVFWFLSA-N 1 0 398.448 3.673 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000827221360 925046314 /nfs/dbraw/zinc/04/63/14/925046314.db2.gz DTSBZWMBQFTUJW-QHCPKHFHSA-N 1 0 375.516 3.915 20 30 GHEDRO Cc1cc(NC(=O)C2(C#N)CCCC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372085154 925135261 /nfs/dbraw/zinc/13/52/61/925135261.db2.gz CUZOKJSVKVIYBU-LJQANCHMSA-N 1 0 377.492 3.661 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC[C@@H]21 ZINC000827318457 925268504 /nfs/dbraw/zinc/26/85/04/925268504.db2.gz GYPMVTOQPWZMIH-JXFKEZNVSA-N 1 0 379.435 3.656 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1 ZINC000410347519 925567642 /nfs/dbraw/zinc/56/76/42/925567642.db2.gz ORNKWCRAYIOBGL-FQEVSTJZSA-N 1 0 375.516 3.912 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cscc3C#N)c(OCC)c2)CC1 ZINC000410809213 925850333 /nfs/dbraw/zinc/85/03/33/925850333.db2.gz KKUGMXVLPRYYOB-UHFFFAOYSA-N 1 0 398.532 3.803 20 30 GHEDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000681700348 925884515 /nfs/dbraw/zinc/88/45/15/925884515.db2.gz FOHOQKHWFBAVKV-HXUWFJFHSA-N 1 0 386.373 3.533 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000827750198 925945266 /nfs/dbraw/zinc/94/52/66/925945266.db2.gz AYLXMQOCUYKOLM-GGAORHGYSA-N 1 0 391.515 3.863 20 30 GHEDRO N#CCSc1cccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000373438933 926125083 /nfs/dbraw/zinc/12/50/83/926125083.db2.gz HADISBVXWXAGGO-BGYRXZFFSA-N 1 0 377.513 3.506 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682788060 926247512 /nfs/dbraw/zinc/24/75/12/926247512.db2.gz YYGZFRRSIFDDMD-UHFFFAOYSA-N 1 0 389.459 3.696 20 30 GHEDRO CCCC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C1CCCCC1 ZINC000725772437 926432924 /nfs/dbraw/zinc/43/29/24/926432924.db2.gz HEYLGIDKTRHRNX-QFIPXVFZSA-N 1 0 382.508 3.718 20 30 GHEDRO Cc1ccc(C)n1C1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000725799636 926444261 /nfs/dbraw/zinc/44/42/61/926444261.db2.gz WDTKGDCGQKZLCC-HXUWFJFHSA-N 1 0 399.498 3.979 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)OCC(=O)Nc2ccc(CC#N)cc2)cc1)C(C)C ZINC000726054879 926539965 /nfs/dbraw/zinc/53/99/65/926539965.db2.gz UGRDMTFNHFEJNV-UHFFFAOYSA-N 1 0 393.487 3.778 20 30 GHEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000374113798 926777716 /nfs/dbraw/zinc/77/77/16/926777716.db2.gz MBBXOMAGNCMIEN-OAQYLSRUSA-N 1 0 375.557 3.590 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000726966818 926960818 /nfs/dbraw/zinc/96/08/18/926960818.db2.gz ROJOZXDILNFMFH-UHFFFAOYSA-N 1 0 388.537 3.825 20 30 GHEDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000749219939 927006083 /nfs/dbraw/zinc/00/60/83/927006083.db2.gz FYCOJSUXTNWOOJ-QFIPXVFZSA-N 1 0 378.520 3.847 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3Cl)CC2)C1=O ZINC001276191506 927035070 /nfs/dbraw/zinc/03/50/70/927035070.db2.gz KLGYTKUEVPKDTR-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000749695870 927243231 /nfs/dbraw/zinc/24/32/31/927243231.db2.gz XKFBDRCXPUXMMG-MOPGFXCFSA-N 1 0 393.572 3.523 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000749926113 927353438 /nfs/dbraw/zinc/35/34/38/927353438.db2.gz IXVNFFYVUYBNCB-HXUWFJFHSA-N 1 0 383.879 3.918 20 30 GHEDRO N#CCCNC(=O)C[N@@H+](CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CC1 ZINC000750059555 927412056 /nfs/dbraw/zinc/41/20/56/927412056.db2.gz KQFLPTGUIUAEIR-UHFFFAOYSA-N 1 0 380.319 3.909 20 30 GHEDRO N#CCSc1ccccc1NC(=O)CN1CC[C@H](n2ncc3ccccc32)C1 ZINC000374753728 927484415 /nfs/dbraw/zinc/48/44/15/927484415.db2.gz MDGDSXDCNULHGX-KRWDZBQOSA-N 1 0 391.500 3.537 20 30 GHEDRO N#CC1(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000374902744 927678062 /nfs/dbraw/zinc/67/80/62/927678062.db2.gz YJHHAYHJBIBMPL-UHFFFAOYSA-N 1 0 398.850 3.536 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000751001601 927974137 /nfs/dbraw/zinc/97/41/37/927974137.db2.gz BSBIYBOCPZDZFV-NQIIRXRSSA-N 1 0 377.488 3.873 20 30 GHEDRO C=CCn1c(SCC[N@@H+]2CCCOCC2)nnc1-c1cccc(Cl)c1 ZINC000412996819 928088026 /nfs/dbraw/zinc/08/80/26/928088026.db2.gz GZVVQZTWZRZWLX-UHFFFAOYSA-N 1 0 378.929 3.599 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(-c2ccccc2)n1 ZINC000375411178 928275254 /nfs/dbraw/zinc/27/52/54/928275254.db2.gz CWCLHAVEXQZEIT-SFHVURJKSA-N 1 0 388.475 3.714 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC[C@H]3CCCO3)sc2C1 ZINC000467162582 928774240 /nfs/dbraw/zinc/77/42/40/928774240.db2.gz YWCPTEGSAZLGPX-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(Cc3ccccc3)CCCCC2)cc1 ZINC000467181327 928795197 /nfs/dbraw/zinc/79/51/97/928795197.db2.gz NLRZTQOTZXQLBF-UHFFFAOYSA-N 1 0 382.529 3.867 20 30 GHEDRO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467296955 928931283 /nfs/dbraw/zinc/93/12/83/928931283.db2.gz LBFJVTNQCIGECM-CVEARBPZSA-N 1 0 389.565 3.964 20 30 GHEDRO C=CCC(CC=C)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000467526474 929160888 /nfs/dbraw/zinc/16/08/88/929160888.db2.gz DBAVAAPPEHNXHC-UHFFFAOYSA-N 1 0 375.944 3.737 20 30 GHEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000544535946 929266991 /nfs/dbraw/zinc/26/69/91/929266991.db2.gz RZOWRPAKTZNKJR-ROUUACIJSA-N 1 0 392.503 3.888 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](c3ccccc3)c3cncnc3)C2)c(F)c1 ZINC000544567177 929294166 /nfs/dbraw/zinc/29/41/66/929294166.db2.gz QCCHOSOONVQNEY-REWPJTCUSA-N 1 0 387.462 3.835 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000467718089 929333361 /nfs/dbraw/zinc/33/33/61/929333361.db2.gz KVUUWQIHMUIIHA-KKSFZXQISA-N 1 0 375.472 3.872 20 30 GHEDRO Cc1ccc(-n2c(N=NC3CCC[N@@H+](C)CC3)nc3ccccc3c2=O)c(C)c1 ZINC000758100530 929919027 /nfs/dbraw/zinc/91/90/27/929919027.db2.gz WACYDMHCLKXFDC-UHFFFAOYSA-N 1 0 389.503 3.886 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@](C)(CC)C2)c1=S ZINC000758397965 930032444 /nfs/dbraw/zinc/03/24/44/930032444.db2.gz RSHNSWVZFGKYQC-HXUWFJFHSA-N 1 0 377.602 3.708 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000546305497 930041448 /nfs/dbraw/zinc/04/14/48/930041448.db2.gz QXCRAZDMAZNBSF-KKSFZXQISA-N 1 0 395.478 3.670 20 30 GHEDRO CC(Cc1cccc(F)c1)=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000759187031 930303158 /nfs/dbraw/zinc/30/31/58/930303158.db2.gz KFAXBWCGVYMEDW-UHFFFAOYSA-N 1 0 398.551 3.873 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000546707545 930370698 /nfs/dbraw/zinc/37/06/98/930370698.db2.gz IQSQAMJHFPJQIA-QFBILLFUSA-N 1 0 378.476 3.599 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)NCc1ccc(C#N)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000780535442 930543880 /nfs/dbraw/zinc/54/38/80/930543880.db2.gz DLIGJVOSVNVHHI-UWJYYQICSA-N 1 0 379.508 3.518 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000780742940 930589307 /nfs/dbraw/zinc/58/93/07/930589307.db2.gz OLMHZSMNWVMKTP-OXJNMPFZSA-N 1 0 390.462 3.762 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1F ZINC000781422047 930837872 /nfs/dbraw/zinc/83/78/72/930837872.db2.gz KPWSMIWKCZJIAE-DIFFPNOSSA-N 1 0 376.815 3.506 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000547416223 930995402 /nfs/dbraw/zinc/99/54/02/930995402.db2.gz KUAPLXKTMIXSKB-IBGZPJMESA-N 1 0 378.476 3.695 20 30 GHEDRO C#CC[N@H+](CC#CC)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000782040449 931069603 /nfs/dbraw/zinc/06/96/03/931069603.db2.gz APINRXIBGIMESD-UHFFFAOYSA-N 1 0 375.310 3.743 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](O)c1ccccc1 ZINC000924547090 931415861 /nfs/dbraw/zinc/41/58/61/931415861.db2.gz FFAIPRKPNOXRNX-MJGOQNOKSA-N 1 0 387.524 3.629 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)cc2)C1 ZINC000557491816 931468654 /nfs/dbraw/zinc/46/86/54/931468654.db2.gz IYNPZLKMTCTPTB-HNNXBMFYSA-N 1 0 379.464 3.893 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1ccc(O)cc1 ZINC000924800643 931542601 /nfs/dbraw/zinc/54/26/01/931542601.db2.gz KQBAMYFZBREKLH-QGZVFWFLSA-N 1 0 387.524 3.844 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000783533368 931574183 /nfs/dbraw/zinc/57/41/83/931574183.db2.gz YWCJTNZQRSYJRT-IBGZPJMESA-N 1 0 381.900 3.953 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000557691501 931613531 /nfs/dbraw/zinc/61/35/31/931613531.db2.gz CMJNXZHDMMQOQW-SCLBCKFNSA-N 1 0 379.420 3.571 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000784488752 931912622 /nfs/dbraw/zinc/91/26/22/931912622.db2.gz XTBMBDNZQKZAJE-SFHVURJKSA-N 1 0 387.405 3.683 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)C[C@@H]21 ZINC000784498685 931914690 /nfs/dbraw/zinc/91/46/90/931914690.db2.gz PTWKEFBETYXYAM-YZGWKJHDSA-N 1 0 385.508 3.562 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784506030 931917098 /nfs/dbraw/zinc/91/70/98/931917098.db2.gz GCUQBTSKUMUENU-YTQUADARSA-N 1 0 385.508 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC000784507453 931917762 /nfs/dbraw/zinc/91/77/62/931917762.db2.gz IOXBMLPJUSVFGZ-YZGWKJHDSA-N 1 0 385.508 3.714 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2)c1 ZINC000926023469 932005524 /nfs/dbraw/zinc/00/55/24/932005524.db2.gz BINZDZGOSSMWER-IAGOWNOFSA-N 1 0 390.365 3.704 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796754982 932055067 /nfs/dbraw/zinc/05/50/67/932055067.db2.gz LUKDMPCXRSDXHN-LJQANCHMSA-N 1 0 398.551 3.764 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000796771155 932060757 /nfs/dbraw/zinc/06/07/57/932060757.db2.gz WKOIXBRUQOSNLL-CQSZACIVSA-N 1 0 391.562 3.849 20 30 GHEDRO O=C(NCC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)C1N=CC=CC1=O ZINC000796815163 932077553 /nfs/dbraw/zinc/07/75/53/932077553.db2.gz BOMLIGCNEBOGJK-JDGZLABWSA-N 1 0 387.911 3.872 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](CO)c1ccsc1 ZINC000926196896 932079524 /nfs/dbraw/zinc/07/95/24/932079524.db2.gz AZFDKULPFFYSJP-NVXWUHKLSA-N 1 0 393.553 3.691 20 30 GHEDRO C=CCSc1ccccc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000926245249 932096608 /nfs/dbraw/zinc/09/66/08/932096608.db2.gz UHWIAAUQYUUSQI-VFSLUADLSA-N 1 0 388.577 3.564 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)cc1 ZINC000558606522 932102908 /nfs/dbraw/zinc/10/29/08/932102908.db2.gz POKNKUKVDQCXAJ-AZUAARDMSA-N 1 0 383.536 3.681 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000558664008 932149870 /nfs/dbraw/zinc/14/98/70/932149870.db2.gz AXJLOFSXMLLQNK-FQEVSTJZSA-N 1 0 394.567 3.927 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)cc2)cs1 ZINC000558718040 932190692 /nfs/dbraw/zinc/19/06/92/932190692.db2.gz GFYNTLAAGABVLM-UHFFFAOYSA-N 1 0 397.525 3.554 20 30 GHEDRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)n(C)n1 ZINC000926662478 932265534 /nfs/dbraw/zinc/26/55/34/932265534.db2.gz ROFVFRJAOGQMGL-XUZZJYLKSA-N 1 0 391.563 3.566 20 30 GHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000559008979 932370899 /nfs/dbraw/zinc/37/08/99/932370899.db2.gz NGJQIUKCJKKFHG-UHFFFAOYSA-N 1 0 379.552 3.562 20 30 GHEDRO C=CCOCCC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000559267932 932566257 /nfs/dbraw/zinc/56/62/57/932566257.db2.gz ZJHNQCVYMYGQKB-UHFFFAOYSA-N 1 0 386.305 3.862 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@@H](c3ccc(Br)cc3)C3CCC3)cnc12 ZINC000559554428 932731317 /nfs/dbraw/zinc/73/13/17/932731317.db2.gz HZTVQAUHLLUTMU-GOSISDBHSA-N 1 0 396.292 3.994 20 30 GHEDRO CCC(CC)(CNC(=O)C(=O)Nc1sccc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000559643302 932776242 /nfs/dbraw/zinc/77/62/42/932776242.db2.gz CVRZDXGQDNPVTH-HNNXBMFYSA-N 1 0 398.532 3.584 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](c3ccccn3)C1)CCCC2 ZINC000799195891 932910712 /nfs/dbraw/zinc/91/07/12/932910712.db2.gz IHYWQKGRXVAWAG-OAHLLOKOSA-N 1 0 380.517 3.712 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000799358590 932966569 /nfs/dbraw/zinc/96/65/69/932966569.db2.gz NFCKTEMLIWFSBW-KRWDZBQOSA-N 1 0 382.508 3.938 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000799576926 933046690 /nfs/dbraw/zinc/04/66/90/933046690.db2.gz ORXRQBUVJCGKRV-MONBJTKQSA-N 1 0 391.519 3.752 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cc(Br)c4c(c3)OCCO4)CC2)c1 ZINC000560073122 933049830 /nfs/dbraw/zinc/04/98/30/933049830.db2.gz PICPSTBWWBOIDO-UHFFFAOYSA-N 1 0 385.261 3.871 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000560165930 933103400 /nfs/dbraw/zinc/10/34/00/933103400.db2.gz BULLRKXENPTETF-FPOVZHCZSA-N 1 0 397.588 3.510 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1Cl ZINC000560184970 933117898 /nfs/dbraw/zinc/11/78/98/933117898.db2.gz UYFGFXUUWFJWRW-RBUKOAKNSA-N 1 0 375.900 3.539 20 30 GHEDRO Cc1cccc(NC(=O)CN2CC[NH+](CCCCC3(C#N)CCC3)CC2)c1C ZINC000929172528 933269614 /nfs/dbraw/zinc/26/96/14/933269614.db2.gz GEKWCGYEDGCMDH-UHFFFAOYSA-N 1 0 382.552 3.724 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC(c4ccccc4Cl)C3)C2=O)cc1 ZINC000560506381 933298226 /nfs/dbraw/zinc/29/82/26/933298226.db2.gz XUQOHTNWWBYXCO-NGICGMGXSA-N 1 0 379.891 3.848 20 30 GHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNc3cccc(CC#N)n3)cc2)C[C@H]1C ZINC001116636781 933676441 /nfs/dbraw/zinc/67/64/41/933676441.db2.gz XXQZCSFWMYZBIO-KDURUIRLSA-N 1 0 378.520 3.769 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(OCC#N)cc1)C1CC1 ZINC001116672841 933696233 /nfs/dbraw/zinc/69/62/33/933696233.db2.gz JNQYJUHHZDSTAF-NRFANRHFSA-N 1 0 378.476 3.621 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC001117115392 933858145 /nfs/dbraw/zinc/85/81/45/933858145.db2.gz JOFDGRWQVTZKFN-UHFFFAOYSA-N 1 0 380.492 3.963 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001117689684 933984451 /nfs/dbraw/zinc/98/44/51/933984451.db2.gz VFMGCYUISXDJIC-FXAWDEMLSA-N 1 0 383.540 3.696 20 30 GHEDRO C[N@@H+]1CC[C@H](CNc2nccc(C#N)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561258862 933996378 /nfs/dbraw/zinc/99/63/78/933996378.db2.gz ZQGFFCSINLEYQF-DYVFJYSZSA-N 1 0 379.266 3.926 20 30 GHEDRO CC(C)(C)c1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC001118505164 934183797 /nfs/dbraw/zinc/18/37/97/934183797.db2.gz AHOUTXAZQOVKNA-QFIPXVFZSA-N 1 0 378.516 3.848 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1C#N ZINC000777939021 934251346 /nfs/dbraw/zinc/25/13/46/934251346.db2.gz CRKAOEIJQFJCNV-QGZVFWFLSA-N 1 0 390.270 3.769 20 30 GHEDRO N#CC1CCC(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CC1 ZINC000931025235 934341161 /nfs/dbraw/zinc/34/11/61/934341161.db2.gz SMHMVBRXMJGWQY-LEOMRAHMSA-N 1 0 385.474 3.829 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@@H]1c1ccc(F)cc1 ZINC001119599236 934372227 /nfs/dbraw/zinc/37/22/27/934372227.db2.gz BFHZGVKXFWODAG-MOPGFXCFSA-N 1 0 388.284 3.995 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)CCC#N)C1 ZINC000561731654 934399350 /nfs/dbraw/zinc/39/93/50/934399350.db2.gz RSIPDUQBSDJWJG-UHFFFAOYSA-N 1 0 380.536 3.854 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001120562303 934474290 /nfs/dbraw/zinc/47/42/90/934474290.db2.gz YIRGGSSLVNBTQP-VQIMIIECSA-N 1 0 379.495 3.771 20 30 GHEDRO C[NH+](C)C1(C)CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000931348706 934514269 /nfs/dbraw/zinc/51/42/69/934514269.db2.gz LXZDUKLISUTWMH-UHFFFAOYSA-N 1 0 388.581 3.633 20 30 GHEDRO N#CC(CCN1CC[NH+](CCCCCO)CC1)(c1ccccc1)c1ccccc1 ZINC000931497750 934584653 /nfs/dbraw/zinc/58/46/53/934584653.db2.gz SYPSUVAWWJWYDV-UHFFFAOYSA-N 1 0 391.559 3.667 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001121492067 934672794 /nfs/dbraw/zinc/67/27/94/934672794.db2.gz ADOYNTQPEJYBDA-LTIDMASMSA-N 1 0 379.499 3.533 20 30 GHEDRO COc1cc(C[NH2+][C@H](CO)C2CCCC2)ccc1OCc1cccc(C#N)c1 ZINC000562071950 934673429 /nfs/dbraw/zinc/67/34/29/934673429.db2.gz AMSZIXJJTURIME-OAQYLSRUSA-N 1 0 380.488 3.787 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C#N)c(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000562092567 934690738 /nfs/dbraw/zinc/69/07/38/934690738.db2.gz WEFZTVRJXYYNTR-LEWJYISDSA-N 1 0 394.450 3.805 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001121671393 934734060 /nfs/dbraw/zinc/73/40/60/934734060.db2.gz RTMMKAIEJDOHSC-OYNPSCLESA-N 1 0 390.535 3.753 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H](CCC)C1 ZINC001121730851 934749828 /nfs/dbraw/zinc/74/98/28/934749828.db2.gz GCEHZQBPVLYAKA-ICSRJNTNSA-N 1 0 387.572 3.797 20 30 GHEDRO C[NH+]1CCC2(CCCN(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)C2)CC1 ZINC000932235112 934856758 /nfs/dbraw/zinc/85/67/58/934856758.db2.gz MYFWBOYYISHNOL-KRWDZBQOSA-N 1 0 394.441 3.679 20 30 GHEDRO C=C(C)Cn1c(Cc2cccc3cnccc32)nnc1N1CCC[N@@H+](CC)CC1 ZINC001122382172 934859432 /nfs/dbraw/zinc/85/94/32/934859432.db2.gz MQTSNPZLGICBLK-UHFFFAOYSA-N 1 0 390.535 3.525 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C(C#N)(CC)CC ZINC001122434976 934868883 /nfs/dbraw/zinc/86/88/83/934868883.db2.gz MDFQCIJQJOUOAL-LJQANCHMSA-N 1 0 384.572 3.748 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001122465562 934876057 /nfs/dbraw/zinc/87/60/57/934876057.db2.gz ABTSIPOIIBSONJ-RLLQIKCJSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)CC(C)(C)C ZINC001122466893 934876777 /nfs/dbraw/zinc/87/67/77/934876777.db2.gz VETOSNRULJIRTC-GOSISDBHSA-N 1 0 375.561 3.652 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001122476514 934878612 /nfs/dbraw/zinc/87/86/12/934878612.db2.gz LTAZZQZDXWVHOA-OAHLLOKOSA-N 1 0 384.528 3.616 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001122541267 934894281 /nfs/dbraw/zinc/89/42/81/934894281.db2.gz NZCQCXIGMKGZJO-MKXGPGLRSA-N 1 0 389.588 3.692 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001122552822 934898129 /nfs/dbraw/zinc/89/81/29/934898129.db2.gz OESSBOUKSIDEFY-GOSISDBHSA-N 1 0 375.561 3.533 20 30 GHEDRO C=C(C)Cn1c(-c2cncc3ccccc32)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001122587105 934909851 /nfs/dbraw/zinc/90/98/51/934909851.db2.gz XQIIUTRNZVWTEP-GHTZIAJQSA-N 1 0 388.519 3.600 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(c2nnc(C(C)(C)CC#N)n2CC(C)C)CC1 ZINC001122782406 934984560 /nfs/dbraw/zinc/98/45/60/934984560.db2.gz CDBNUFBOVKOMMO-UHFFFAOYSA-N 1 0 386.588 3.970 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001122797599 934990943 /nfs/dbraw/zinc/99/09/43/934990943.db2.gz PTMHXOPTLFLJKL-HXUWFJFHSA-N 1 0 386.588 3.873 20 30 GHEDRO CCn1ccnc1[C@@H](C#N)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC001123338310 935165207 /nfs/dbraw/zinc/16/52/07/935165207.db2.gz ZYELINHZVHDJRA-MJGOQNOKSA-N 1 0 380.492 3.646 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2F)CC1 ZINC001124326651 935374619 /nfs/dbraw/zinc/37/46/19/935374619.db2.gz ACFKQIJIVXHCNZ-UHFFFAOYSA-N 1 0 386.858 3.745 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC23CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c1 ZINC001137699595 935730900 /nfs/dbraw/zinc/73/09/00/935730900.db2.gz MTDATKZZNHZKIM-UHFFFAOYSA-N 1 0 385.508 3.932 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)c(C#N)c1 ZINC001137701341 935732591 /nfs/dbraw/zinc/73/25/91/935732591.db2.gz VAQQXXFZAVJSGM-UHFFFAOYSA-N 1 0 395.528 3.757 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(OC)ccc1Br)CC2 ZINC001137906573 935859947 /nfs/dbraw/zinc/85/99/47/935859947.db2.gz FKDRITSTIGXDGY-UHFFFAOYSA-N 1 0 393.325 3.601 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC001220725134 1032085972 /nfs/dbraw/zinc/08/59/72/1032085972.db2.gz MTZKGMQQPPPGIK-PVPAWSFNSA-N 1 0 385.511 3.560 20 30 GHEDRO CCCC[C@@H](CC)COC(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1 ZINC001626021020 1014784463 /nfs/dbraw/zinc/78/44/63/1014784463.db2.gz WJVRSZXTIZOVLG-GOSISDBHSA-N 1 0 387.524 3.746 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(Br)cc2C#N)cc1 ZINC001626085971 1014870320 /nfs/dbraw/zinc/87/03/20/1014870320.db2.gz UEXUDZUUBWYVTH-UHFFFAOYSA-N 1 0 388.265 3.513 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)s2)cc1 ZINC000468783851 1016028988 /nfs/dbraw/zinc/02/89/88/1016028988.db2.gz BHXGANQMSLDPNA-DZGCQCFKSA-N 1 0 398.532 3.729 20 30 GHEDRO COC(=O)[C@H](N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)c1cccc(C#N)c1 ZINC000468796987 1016042449 /nfs/dbraw/zinc/04/24/49/1016042449.db2.gz BTJFRKKJQWSXDC-FCHUYYIVSA-N 1 0 379.504 3.519 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000546711503 1016723453 /nfs/dbraw/zinc/72/34/53/1016723453.db2.gz MMCZMIJOMRVBMG-IAGOWNOFSA-N 1 0 392.503 3.845 20 30 GHEDRO COc1c(Cl)c(Cl)ccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001276816892 1032168790 /nfs/dbraw/zinc/16/87/90/1032168790.db2.gz QZSORFKITSCQPQ-HZPDHXFCSA-N 1 0 396.318 3.871 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001227178539 1032310097 /nfs/dbraw/zinc/31/00/97/1032310097.db2.gz YYDUKMKCEFFXDR-XFQXTVEOSA-N 1 0 386.879 3.748 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(Cl)c1C)C2 ZINC001277198235 1032368317 /nfs/dbraw/zinc/36/83/17/1032368317.db2.gz MSLYOIJCWVXDKK-OAQYLSRUSA-N 1 0 376.928 3.584 20 30 GHEDRO COc1cccc(N(C2CC[NH2+]CC2)C(F)(F)c2ccc(C#N)c(Cl)n2)c1 ZINC001155604327 1032596010 /nfs/dbraw/zinc/59/60/10/1032596010.db2.gz KFGCDTNKEHXNSM-UHFFFAOYSA-N 1 0 392.837 3.923 20 30 GHEDRO C#CCCCNC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001227841348 1032641522 /nfs/dbraw/zinc/64/15/22/1032641522.db2.gz KPMREYNFKAWPIH-LADGPHEKSA-N 1 0 375.516 3.757 20 30 GHEDRO N#Cc1ccsc1NC(=O)CCN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000558128805 1017123526 /nfs/dbraw/zinc/12/35/26/1017123526.db2.gz ABWFAQPWIQXMIF-HNNXBMFYSA-N 1 0 385.493 3.826 20 30 GHEDRO N#CCCN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(F)cc1 ZINC000558139761 1017124822 /nfs/dbraw/zinc/12/48/22/1017124822.db2.gz YPKZCBOQOQVZFS-UHFFFAOYSA-N 1 0 383.492 3.935 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(N(C)C)c4ccccc34)C2)C1=O ZINC001204236831 1032681800 /nfs/dbraw/zinc/68/18/00/1032681800.db2.gz XGBDBIDYOXZHQU-DEOSSOPVSA-N 1 0 377.532 3.906 20 30 GHEDRO COc1ccc(CN(CCCCC2(C#N)CCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000929159987 1017630508 /nfs/dbraw/zinc/63/05/08/1017630508.db2.gz VKSYRFSERIRQHU-LJQANCHMSA-N 1 0 390.549 3.548 20 30 GHEDRO N#Cc1nc(C2CC2)oc1N1CCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC000929876613 1017747809 /nfs/dbraw/zinc/74/78/09/1017747809.db2.gz GQJXIXSQZXSRGB-WMZOPIPTSA-N 1 0 384.430 3.595 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cnccc3Br)CC2)C1=O ZINC001277258105 1032724720 /nfs/dbraw/zinc/72/47/20/1032724720.db2.gz RLQGUNPJWOIUTP-IBGZPJMESA-N 1 0 392.341 3.625 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3C)CC2)cc1 ZINC001204300626 1032740668 /nfs/dbraw/zinc/74/06/68/1032740668.db2.gz QCZQLLLDFHNCTF-QFIPXVFZSA-N 1 0 391.515 3.627 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)OC3)CC2)cc1 ZINC001204301007 1032742668 /nfs/dbraw/zinc/74/26/68/1032742668.db2.gz ZDZHBXPVJHUNGI-JOCHJYFZSA-N 1 0 398.547 3.635 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000562569162 1018329059 /nfs/dbraw/zinc/32/90/59/1018329059.db2.gz NCUUCCSXGFAOJJ-UHFFFAOYSA-N 1 0 378.524 3.923 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(CCC#N)cc2)CC1 ZINC000932573762 1018474414 /nfs/dbraw/zinc/47/44/14/1018474414.db2.gz ZPQIHFDQEBIDTK-KRWDZBQOSA-N 1 0 377.492 3.885 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](CC1CCC(C#N)CC1)CC2 ZINC000932672197 1018573969 /nfs/dbraw/zinc/57/39/69/1018573969.db2.gz CJHIPNNSFAVGSK-CTWPCTMYSA-N 1 0 391.556 3.712 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000562784893 1018639587 /nfs/dbraw/zinc/63/95/87/1018639587.db2.gz JMZDCQCFNUTMOU-LVCYWYKZSA-N 1 0 390.535 3.559 20 30 GHEDRO CCn1cc(CC[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000932951520 1018781859 /nfs/dbraw/zinc/78/18/59/1018781859.db2.gz XAOIDRBVLMYBRZ-QWRGUYRKSA-N 1 0 391.306 3.548 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC000564384339 1019065636 /nfs/dbraw/zinc/06/56/36/1019065636.db2.gz MVYZHHACUJHNFU-LJQANCHMSA-N 1 0 383.540 3.753 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000565133854 1019167193 /nfs/dbraw/zinc/16/71/93/1019167193.db2.gz DPUFPTKSUOTVRH-GMAHTHKFSA-N 1 0 398.551 3.968 20 30 GHEDRO N#Cc1ccccc1C[NH+]1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC001204368671 1032811698 /nfs/dbraw/zinc/81/16/98/1032811698.db2.gz SMPUPJGRFAXGCO-UHFFFAOYSA-N 1 0 386.503 3.581 20 30 GHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)c1ccco1 ZINC001228192844 1032832949 /nfs/dbraw/zinc/83/29/49/1032832949.db2.gz ZLTXNWKOEINYDA-VQIMIIECSA-N 1 0 382.508 3.901 20 30 GHEDRO C#CC[C@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000778719840 1019513324 /nfs/dbraw/zinc/51/33/24/1019513324.db2.gz UJKOHYQWSURTIL-VJBMBRPKSA-N 1 0 375.516 3.961 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000574663300 1019896410 /nfs/dbraw/zinc/89/64/10/1019896410.db2.gz CAFTXDMZUMCHNC-HOCLYGCPSA-N 1 0 378.423 3.546 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000047010828 1019939929 /nfs/dbraw/zinc/93/99/29/1019939929.db2.gz GAUYNKXRYOTEIM-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000576477136 1020018481 /nfs/dbraw/zinc/01/84/81/1020018481.db2.gz BCPMMTZDLPFQML-VQTJNVASSA-N 1 0 375.472 3.968 20 30 GHEDRO C[C@]1(Cc2cccc(F)c2)CCCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000576581038 1020037250 /nfs/dbraw/zinc/03/72/50/1020037250.db2.gz OMKOIRHPTUXHIH-OAQYLSRUSA-N 1 0 386.492 3.568 20 30 GHEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)c(C(F)(F)F)c2)n1 ZINC000600721457 1020225841 /nfs/dbraw/zinc/22/58/41/1020225841.db2.gz MKDMHEORGPXIAD-QGZVFWFLSA-N 1 0 392.425 3.652 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000601187578 1020302747 /nfs/dbraw/zinc/30/27/47/1020302747.db2.gz UNRAUTCBSNXSQF-DEOSSOPVSA-N 1 0 396.494 3.877 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1F ZINC000191941718 1020832759 /nfs/dbraw/zinc/83/27/59/1020832759.db2.gz HYQOKZCSVNVWLT-UHFFFAOYSA-N 1 0 383.442 3.673 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21)c1cccc(Cl)c1 ZINC000192346396 1020865877 /nfs/dbraw/zinc/86/58/77/1020865877.db2.gz JOMFANDFVUCOEM-LJQANCHMSA-N 1 0 383.879 3.959 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2ccc(OC)c(OC)c2)N(C)C)c(O)c1 ZINC000194860722 1020967584 /nfs/dbraw/zinc/96/75/84/1020967584.db2.gz SGSCRVCLKMMOHW-FBTHGLLTSA-N 1 0 399.535 3.977 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2nc(Cl)ncc2C#N)cc1 ZINC001156294794 1032964213 /nfs/dbraw/zinc/96/42/13/1032964213.db2.gz UEQBLYZUORQPHH-KRWDZBQOSA-N 1 0 385.899 3.501 20 30 GHEDRO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccc(C#N)cc1 ZINC000903079351 1021575564 /nfs/dbraw/zinc/57/55/64/1021575564.db2.gz MLUFCBHUCPXXNU-IPELMVKDSA-N 1 0 385.508 3.671 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnc3ccc(Cl)cn13)C2 ZINC001140427655 1021678345 /nfs/dbraw/zinc/67/83/45/1021678345.db2.gz DVHORVHCMMSLME-ICSRJNTNSA-N 1 0 375.900 3.561 20 30 GHEDRO COC(=O)[C@H]1CCC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140437353 1021705722 /nfs/dbraw/zinc/70/57/22/1021705722.db2.gz GXNMOHCINMNZDC-INIZCTEOSA-N 1 0 397.475 3.681 20 30 GHEDRO CN1CC[C@@]2(C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001140598784 1022040951 /nfs/dbraw/zinc/04/09/51/1022040951.db2.gz DMISYHXMYDFNBO-KNQAVFIVSA-N 1 0 379.891 3.660 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Br)ccc1C)CC2 ZINC001140648256 1022153320 /nfs/dbraw/zinc/15/33/20/1022153320.db2.gz UJPFKTNVYFPKPP-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1O ZINC000754107474 1022487548 /nfs/dbraw/zinc/48/75/48/1022487548.db2.gz WXNYNQFJCHNKMN-RBUKOAKNSA-N 1 0 383.879 3.759 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)n3ccnc3CC[NH3+])cc2c1Cl ZINC001156483255 1033058797 /nfs/dbraw/zinc/05/87/97/1033058797.db2.gz CAPBETWHVGGVTP-UHFFFAOYSA-N 1 0 382.201 3.709 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1Cl ZINC001140810506 1022598083 /nfs/dbraw/zinc/59/80/83/1022598083.db2.gz ARETVNZEIXBDAI-LJQANCHMSA-N 1 0 383.879 3.809 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4cccc(C#N)c4Cl)C3)CC2=O)cc1 ZINC001140812334 1022603449 /nfs/dbraw/zinc/60/34/49/1022603449.db2.gz UYRRTOCRQNUJDQ-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(O)c(OC)c1 ZINC000754740003 1022872374 /nfs/dbraw/zinc/87/23/74/1022872374.db2.gz FMILIFFNBCFZHB-CRAIPNDOSA-N 1 0 390.524 3.864 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000755791747 1023381557 /nfs/dbraw/zinc/38/15/57/1023381557.db2.gz UEXUJHHFEFJIPS-HXUWFJFHSA-N 1 0 397.486 3.597 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755871587 1023411261 /nfs/dbraw/zinc/41/12/61/1023411261.db2.gz PVFQCVLHHKMKFJ-WFXMLNOXSA-N 1 0 378.472 3.779 20 30 GHEDRO N#Cc1c(N)sc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1Cl ZINC001141111165 1023525185 /nfs/dbraw/zinc/52/51/85/1023525185.db2.gz IBGXNFUSCXIDOZ-KRWDZBQOSA-N 1 0 392.937 3.546 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccnc3ccc(OC)cc13)C2 ZINC001141148089 1023970793 /nfs/dbraw/zinc/97/07/93/1023970793.db2.gz KFLUKSUQBLAWMA-XZOQPEGZSA-N 1 0 382.504 3.817 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)cc1C#N)CC2 ZINC001141165644 1023995541 /nfs/dbraw/zinc/99/55/41/1023995541.db2.gz FIQJBLNUPYNIGT-QHCPKHFHSA-N 1 0 393.506 3.953 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c(F)c1 ZINC001141193498 1024071807 /nfs/dbraw/zinc/07/18/07/1024071807.db2.gz YGEOOPFXXSQYKJ-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000837183154 1024198735 /nfs/dbraw/zinc/19/87/35/1024198735.db2.gz HVRADPKBZRTAJW-UHFFFAOYSA-N 1 0 382.426 3.578 20 30 GHEDRO COc1cc2cccnc2c(N(c2nnc(Cl)cc2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001156750165 1033221068 /nfs/dbraw/zinc/22/10/68/1033221068.db2.gz KSQORYHFNJHKJG-ZDUSSCGKSA-N 1 0 396.882 3.824 20 30 GHEDRO CN(Cc1ccc(-n2ccnc2)cc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001156787821 1033241197 /nfs/dbraw/zinc/24/11/97/1033241197.db2.gz APWMLVJVLVCIHC-UHFFFAOYSA-N 1 0 384.399 3.837 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)CC2 ZINC001138446747 1024866875 /nfs/dbraw/zinc/86/68/75/1024866875.db2.gz ZIVPZNITSLTCTR-QHCPKHFHSA-N 1 0 378.520 3.918 20 30 GHEDRO N#CC1(NC(=O)CC[C@@H]2CC2(Cl)Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000831794038 1024875718 /nfs/dbraw/zinc/87/57/18/1024875718.db2.gz DCKRRGOQOAKUOZ-MRXNPFEDSA-N 1 0 380.319 3.635 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(OC3CCOCC3)cc1)CC2 ZINC001141408057 1024918743 /nfs/dbraw/zinc/91/87/43/1024918743.db2.gz QWHOXKPGYOBEST-XMMPIXPASA-N 1 0 398.547 3.778 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OCCN2CCOCC2)c(OC)c1)C1CCCCC1 ZINC001138536516 1024978001 /nfs/dbraw/zinc/97/80/01/1024978001.db2.gz DFHVESHKJYAJOR-UHFFFAOYSA-N 1 0 388.552 3.727 20 30 GHEDRO C#CCOc1ccc(CN2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc1 ZINC001138559991 1025022709 /nfs/dbraw/zinc/02/27/09/1025022709.db2.gz YYSRDOJYPFQIJW-UHFFFAOYSA-N 1 0 393.531 3.934 20 30 GHEDRO C=CCc1cccc(CN2CC[N@@H+]3C[C@H](Oc4ccc(C)cc4)C[C@@H]3C2)c1O ZINC001138629028 1025129634 /nfs/dbraw/zinc/12/96/34/1025129634.db2.gz LMQZRMOCKACRBV-FYYLOGMGSA-N 1 0 378.516 3.767 20 30 GHEDRO C=CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1ccncc1 ZINC000838479115 1025161288 /nfs/dbraw/zinc/16/12/88/1025161288.db2.gz ZKHPFFCNKGNRNX-UGKGYDQZSA-N 1 0 378.520 3.862 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1C[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001138661064 1025180824 /nfs/dbraw/zinc/18/08/24/1025180824.db2.gz MOLSCPNKOIQOGP-WOJBJXKFSA-N 1 0 382.529 3.907 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)c3cccc(OC)c23)C1 ZINC001138755741 1025305839 /nfs/dbraw/zinc/30/58/39/1025305839.db2.gz ZHCOUJZDYFVUSW-QGZVFWFLSA-N 1 0 384.476 3.734 20 30 GHEDRO Cc1cc(C(=O)OC[C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)ncc1C#N ZINC000838804214 1025375717 /nfs/dbraw/zinc/37/57/17/1025375717.db2.gz UKOIXNWUEAIASP-OAHLLOKOSA-N 1 0 385.414 3.609 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000832303333 1025427747 /nfs/dbraw/zinc/42/77/47/1025427747.db2.gz YXFNVUWPEZOUHF-QGZVFWFLSA-N 1 0 379.357 3.749 20 30 GHEDRO CC[C@@H](CNC(=O)[C@H](C#N)CCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001141569894 1025600443 /nfs/dbraw/zinc/60/04/43/1025600443.db2.gz UOWPIZCDBHWSKB-GMAHTHKFSA-N 1 0 375.516 3.712 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000839101305 1025603800 /nfs/dbraw/zinc/60/38/00/1025603800.db2.gz VYYIPVWAMCVBIQ-YADHBBJMSA-N 1 0 398.547 3.822 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(CNc3cc(Br)ccc3C#N)cc2)CC1 ZINC001162146495 1025631056 /nfs/dbraw/zinc/63/10/56/1025631056.db2.gz IJNBACGIXRACHV-UHFFFAOYSA-N 1 0 399.336 3.680 20 30 GHEDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000839145780 1025639976 /nfs/dbraw/zinc/63/99/76/1025639976.db2.gz TUNFMQPKMBEDJY-APWZRJJASA-N 1 0 385.471 3.620 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162195329 1025662028 /nfs/dbraw/zinc/66/20/28/1025662028.db2.gz VZKFWNDQVUZHQX-QAQDUYKDSA-N 1 0 392.894 3.826 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001141580697 1025687051 /nfs/dbraw/zinc/68/70/51/1025687051.db2.gz HVJJDCCYHGYVGZ-UHFFFAOYSA-N 1 0 382.316 3.802 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OCC)c(OCC)c1)C2 ZINC001138974154 1025695742 /nfs/dbraw/zinc/69/57/42/1025695742.db2.gz LFIVKAVHBJDUGV-KNQAVFIVSA-N 1 0 375.509 3.810 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC001139061354 1025851521 /nfs/dbraw/zinc/85/15/21/1025851521.db2.gz BKDZHPRQORBUDX-UHFFFAOYSA-N 1 0 389.543 3.845 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162845751 1025937510 /nfs/dbraw/zinc/93/75/10/1025937510.db2.gz UYJCCTLWOWBAFY-GOSISDBHSA-N 1 0 395.579 3.623 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cn(C)c4ccc(OC)cc34)C2)C1 ZINC001139149425 1025964656 /nfs/dbraw/zinc/96/46/56/1025964656.db2.gz WKWIDSPBRFFVLH-QHCPKHFHSA-N 1 0 397.519 3.797 20 30 GHEDRO C#CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001141632553 1025967582 /nfs/dbraw/zinc/96/75/82/1025967582.db2.gz FQPOOYXFHIZRGU-LJQANCHMSA-N 1 0 376.500 3.861 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(F)c2c1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966275 1025990860 /nfs/dbraw/zinc/99/08/60/1025990860.db2.gz SIKKMAILSYPKTG-CYBMUJFWSA-N 1 0 388.874 3.860 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(Nc2ccc([C@H](C[NH3+])CO)cc2)cc1F ZINC001163053925 1026026338 /nfs/dbraw/zinc/02/63/38/1026026338.db2.gz VNCGIDBEMSALJJ-CQSZACIVSA-N 1 0 397.841 3.586 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163166802 1026072958 /nfs/dbraw/zinc/07/29/58/1026072958.db2.gz LEMBSJYRHCXDRA-OSQNNJELSA-N 1 0 395.265 3.589 20 30 GHEDRO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CCC[C@]1(O)C(F)(F)F ZINC001141654545 1026090172 /nfs/dbraw/zinc/09/01/72/1026090172.db2.gz CERLPAIZDUGDBE-IAQYHMDHSA-N 1 0 391.231 3.846 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2C[NH2+]Cc3ccsc32)n1 ZINC001163226252 1026095693 /nfs/dbraw/zinc/09/56/93/1026095693.db2.gz DLYYSKTYIQJCQA-NYUABVPHSA-N 1 0 376.551 3.589 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163317661 1026140760 /nfs/dbraw/zinc/14/07/60/1026140760.db2.gz WDDQZSSLBWPWLK-ADLMAVQZSA-N 1 0 395.265 3.875 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000839645302 1026157061 /nfs/dbraw/zinc/15/70/61/1026157061.db2.gz TXNQEVRFKOKBDX-LEWJYISDSA-N 1 0 399.535 3.843 20 30 GHEDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nc3cc(F)ccc3c(Cl)c2C#N)cc1 ZINC001163467785 1026206616 /nfs/dbraw/zinc/20/66/16/1026206616.db2.gz XFFKHPDXEGADIE-INIZCTEOSA-N 1 0 398.825 3.797 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC001163473209 1026206876 /nfs/dbraw/zinc/20/68/76/1026206876.db2.gz MDUIYCAJIMENIV-UHFFFAOYSA-N 1 0 378.480 3.918 20 30 GHEDRO CN(CC1C[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1)C(=O)OC(C)(C)C ZINC001139402838 1026274257 /nfs/dbraw/zinc/27/42/57/1026274257.db2.gz YYIYRYMAYSOOOH-UHFFFAOYSA-N 1 0 392.503 3.919 20 30 GHEDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(-c3cc(C#N)ccn3)cc1)CC2 ZINC001139403570 1026275645 /nfs/dbraw/zinc/27/56/45/1026275645.db2.gz XXERFYPUAMXLFS-QFIPXVFZSA-N 1 0 391.515 3.885 20 30 GHEDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC[C@@H]21 ZINC001139403466 1026276165 /nfs/dbraw/zinc/27/61/65/1026276165.db2.gz UNMGBOZZJDIBKD-GGAORHGYSA-N 1 0 388.515 3.699 20 30 GHEDRO N=C(Nc1cc2c(cc1Br)CNC2=O)c1ccc(C(F)(F)F)cc1 ZINC001163685948 1026282894 /nfs/dbraw/zinc/28/28/94/1026282894.db2.gz WQNQROKOMCRWBU-UHFFFAOYSA-N 1 0 398.182 3.748 20 30 GHEDRO N=C(Nc1c[nH]c2ncc(Br)nc12)c1ccc(C(F)(F)F)cc1 ZINC001163685453 1026283165 /nfs/dbraw/zinc/28/31/65/1026283165.db2.gz ODVVGJBCCJXRDR-UHFFFAOYSA-N 1 0 384.159 3.776 20 30 GHEDRO CCN1CC[C@]2(CCC[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1=O ZINC001139426499 1026298193 /nfs/dbraw/zinc/29/81/93/1026298193.db2.gz WMPQAAFXYDRXJZ-QHCPKHFHSA-N 1 0 390.487 3.580 20 30 GHEDRO CC1(C)NC(=O)Cc2cc(N=C(NO)c3ccc(OC(F)(F)F)cc3)ccc21 ZINC001163771082 1026311354 /nfs/dbraw/zinc/31/13/54/1026311354.db2.gz XBUVZIRDRPUARH-UHFFFAOYSA-N 1 0 393.365 3.550 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC001139507794 1026362285 /nfs/dbraw/zinc/36/22/85/1026362285.db2.gz JQFZVBMZZMGKIF-UHFFFAOYSA-N 1 0 375.516 3.850 20 30 GHEDRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139527347 1026384201 /nfs/dbraw/zinc/38/42/01/1026384201.db2.gz CHIYNWZQKNTFDP-FQEVSTJZSA-N 1 0 377.463 3.678 20 30 GHEDRO Cc1cccc(N2CCC[C@@]3(CN(Cc4ccc(C#N)c(F)c4)CCO3)C2)c1 ZINC001139527475 1026384733 /nfs/dbraw/zinc/38/47/33/1026384733.db2.gz CUWFOXYCBOBYCO-HSZRJFAPSA-N 1 0 379.479 3.877 20 30 GHEDRO C[C@@]1(CNC(=O)[C@H](C#N)CCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001139617219 1026481455 /nfs/dbraw/zinc/48/14/55/1026481455.db2.gz LZWXIZYNLITIRT-UPVQGACJSA-N 1 0 375.516 3.787 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CCN(c5ncccn5)CC4)CC3)c[nH]c21 ZINC001139701467 1026546890 /nfs/dbraw/zinc/54/68/90/1026546890.db2.gz MPBDLWBKOQODOR-UHFFFAOYSA-N 1 0 386.503 3.712 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCOCC3)C2)cc1C#N ZINC001139725296 1026568530 /nfs/dbraw/zinc/56/85/30/1026568530.db2.gz KCUCEOLOUYGEBE-RPWUZVMVSA-N 1 0 398.547 3.681 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165086411 1026596536 /nfs/dbraw/zinc/59/65/36/1026596536.db2.gz OWVHTGGSIHUQIQ-MAUKXSAKSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165088788 1026598638 /nfs/dbraw/zinc/59/86/38/1026598638.db2.gz SPIACVQLCMJSBK-QAPCUYQASA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]([NH3+])C(F)(F)C3)cnc2Cl)cc1 ZINC001165132727 1026625046 /nfs/dbraw/zinc/62/50/46/1026625046.db2.gz XVWVJIPEMFFBDZ-OAHLLOKOSA-N 1 0 398.791 3.991 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCC(C)([NH+]4CCOCC4)CC3)c12 ZINC001165137600 1026629744 /nfs/dbraw/zinc/62/97/44/1026629744.db2.gz VTJJKKHYFMHSOT-UHFFFAOYSA-N 1 0 384.911 3.759 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@H]21 ZINC001139874885 1026691986 /nfs/dbraw/zinc/69/19/86/1026691986.db2.gz QBNUNVWDVQJRTL-UEVCKROQSA-N 1 0 378.495 3.825 20 30 GHEDRO N#Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001139877074 1026693626 /nfs/dbraw/zinc/69/36/26/1026693626.db2.gz WNBYHIUOHAYMFX-QHCPKHFHSA-N 1 0 395.453 3.851 20 30 GHEDRO N#Cc1nc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(Cl)cc1Cl ZINC001165307932 1026700049 /nfs/dbraw/zinc/70/00/49/1026700049.db2.gz TUOHMALXLXFHBW-LBPRGKRZSA-N 1 0 379.213 3.913 20 30 GHEDRO N#CCOc1ccc(Br)cc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165441837 1026728437 /nfs/dbraw/zinc/72/84/37/1026728437.db2.gz GBDOPMUVLONQRB-UHFFFAOYSA-N 1 0 386.293 3.895 20 30 GHEDRO CC(C)c1ccc(C#N)c(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)n1 ZINC001165823479 1026845958 /nfs/dbraw/zinc/84/59/58/1026845958.db2.gz WHGUKQFTQIYRRX-UHFFFAOYSA-N 1 0 375.451 3.757 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC001140137644 1026911589 /nfs/dbraw/zinc/91/15/89/1026911589.db2.gz QPRWVWDDNABGFU-RZFNWQHOSA-N 1 0 378.495 3.825 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(Br)c[nH]3)CC2)C1=O ZINC001276668011 1027142566 /nfs/dbraw/zinc/14/25/66/1027142566.db2.gz PIUNSDPDSAHYSQ-GOSISDBHSA-N 1 0 380.330 3.558 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(O)c(OC)c1 ZINC000840117984 1027229311 /nfs/dbraw/zinc/22/93/11/1027229311.db2.gz ATNCFCMGRMOCSO-UHFFFAOYSA-N 1 0 382.508 3.981 20 30 GHEDRO CCCOc1cc(Nc2cncc(C#N)c2)ccc1C(=O)OCC[NH+](CC)CC ZINC001210090930 1027338330 /nfs/dbraw/zinc/33/83/30/1027338330.db2.gz FBGCYIPIJFHQJI-UHFFFAOYSA-N 1 0 396.491 3.984 20 30 GHEDRO C[C@@H]([NH2+]C1(CNCc2cc(C#N)ccc2N(C)C)CCOCC1)c1ccccc1 ZINC001461231248 1069452833 /nfs/dbraw/zinc/45/28/33/1069452833.db2.gz RHSJEVPSRCDISM-LJQANCHMSA-N 1 0 392.547 3.614 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001203559814 1027434415 /nfs/dbraw/zinc/43/44/15/1027434415.db2.gz VYHAUPZOAFTVGQ-MQMHXKEQSA-N 1 0 386.370 3.826 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(OCC)c1O)CC2 ZINC001203602275 1027466633 /nfs/dbraw/zinc/46/66/33/1027466633.db2.gz MGKPHSFIMNSVFR-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)[C@H](C)C1 ZINC001141860807 1027478516 /nfs/dbraw/zinc/47/85/16/1027478516.db2.gz IOMBZPMJWZTLDX-LJQANCHMSA-N 1 0 393.535 3.637 20 30 GHEDRO COCCC[N@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203762520 1027583945 /nfs/dbraw/zinc/58/39/45/1027583945.db2.gz KLBSCKQUFDQGCP-UHFFFAOYSA-N 1 0 387.524 3.796 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC001203762925 1027585605 /nfs/dbraw/zinc/58/56/05/1027585605.db2.gz YBUBIXLVVHXAKF-XZOQPEGZSA-N 1 0 377.488 3.541 20 30 GHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)OCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000840539636 1027606869 /nfs/dbraw/zinc/60/68/69/1027606869.db2.gz ZVIGXSYTDFCBHU-HSZRJFAPSA-N 1 0 387.483 3.970 20 30 GHEDRO CSc1nc(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)ccc1C#N ZINC001141937294 1027706374 /nfs/dbraw/zinc/70/63/74/1027706374.db2.gz VDLRBTARCUMQAT-UHFFFAOYSA-N 1 0 387.512 3.733 20 30 GHEDRO CSc1nc(C[N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141941726 1027716715 /nfs/dbraw/zinc/71/67/15/1027716715.db2.gz VHKXBHSZHVEBOZ-HNNXBMFYSA-N 1 0 390.553 3.754 20 30 GHEDRO CSc1nc(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)ccc1C#N ZINC001141944031 1027720924 /nfs/dbraw/zinc/72/09/24/1027720924.db2.gz UUSRFXPKJZHJDV-NRFANRHFSA-N 1 0 378.545 3.870 20 30 GHEDRO CSc1nc(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC001141943599 1027721553 /nfs/dbraw/zinc/72/15/53/1027721553.db2.gz BELUASNTECZFLU-QFIPXVFZSA-N 1 0 378.545 3.916 20 30 GHEDRO CC#Cc1cncc(Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)c1 ZINC001211061882 1027771610 /nfs/dbraw/zinc/77/16/10/1027771610.db2.gz JUZIGVLDNLBLSC-UHFFFAOYSA-N 1 0 398.466 3.507 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@](C)(c2ccccc2)C1)C(C)C ZINC001211221629 1027842570 /nfs/dbraw/zinc/84/25/70/1027842570.db2.gz HLTFLZUSARQTQQ-JTHBVZDNSA-N 1 0 385.552 3.642 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(C)c(Br)c3F)C2)C1=O ZINC001276438652 1027848624 /nfs/dbraw/zinc/84/86/24/1027848624.db2.gz JSPZNUXHILSVTJ-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO CC(C)c1ccc(-c2noc([C@@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)cc1 ZINC001211379859 1027931317 /nfs/dbraw/zinc/93/13/17/1027931317.db2.gz PVKAOMQAYXDXHZ-OAQYLSRUSA-N 1 0 387.487 3.726 20 30 GHEDRO Cc1cc(Cl)ccc1-c1noc([C@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)n1 ZINC001211379989 1027932272 /nfs/dbraw/zinc/93/22/72/1027932272.db2.gz TUWDXEBLRSRJNU-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)cc1 ZINC000840958111 1027989478 /nfs/dbraw/zinc/98/94/78/1027989478.db2.gz IJYRTDPELUALJI-YADHBBJMSA-N 1 0 398.547 3.952 20 30 GHEDRO CCN(C(=O)c1ccc(C#N)cc1OC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001142069162 1028022624 /nfs/dbraw/zinc/02/26/24/1028022624.db2.gz NTPFQWPIPDCDME-XLIONFOSSA-N 1 0 377.488 3.864 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000841201472 1028274657 /nfs/dbraw/zinc/27/46/57/1028274657.db2.gz XTCBSJVXIJIPHY-SJCJKPOMSA-N 1 0 390.365 3.731 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000841311032 1028404962 /nfs/dbraw/zinc/40/49/62/1028404962.db2.gz MIUJTKYNKNIROG-GOSISDBHSA-N 1 0 396.491 3.807 20 30 GHEDRO OCc1ccc(Br)c(N=NC2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000841654128 1028802673 /nfs/dbraw/zinc/80/26/73/1028802673.db2.gz KZWQQNQQTUHZSZ-UHFFFAOYSA-N 1 0 394.235 3.758 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000841819432 1028966284 /nfs/dbraw/zinc/96/62/84/1028966284.db2.gz ZPALSSGRWZFVDO-CTNGQTDRSA-N 1 0 380.492 3.647 20 30 GHEDRO COC(=O)COc1c(C)cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000841894074 1028992354 /nfs/dbraw/zinc/99/23/54/1028992354.db2.gz MMNVYTJWXCPSNU-NRFANRHFSA-N 1 0 378.472 3.894 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3ncc(OC)cc3Cl)CC2)C1=O ZINC001276735220 1029532784 /nfs/dbraw/zinc/53/27/84/1029532784.db2.gz PMKJRGZQZFIAQL-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CC)[C@@H](O)C(C)C)cc1OC ZINC001461578856 1069620054 /nfs/dbraw/zinc/62/00/54/1069620054.db2.gz GKEUEMVDZRURIM-WBVHZDCISA-N 1 0 386.330 3.908 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(OC)cc(C)cc1OC)[C@@H]2CC ZINC001143139767 1029864884 /nfs/dbraw/zinc/86/48/84/1029864884.db2.gz QEJLZENTPDJESC-GGAORHGYSA-N 1 0 386.536 3.934 20 30 GHEDRO CCc1ccc(-c2noc(-c3cccc(NC(=O)[C@@H]4C[C@H](S)C[NH2+]4)c3)n2)cc1 ZINC001216720076 1029905162 /nfs/dbraw/zinc/90/51/62/1029905162.db2.gz NIICYSAYHYVJRZ-ROUUACIJSA-N 1 0 394.500 3.565 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)cc1 ZINC000843414000 1029988429 /nfs/dbraw/zinc/98/84/29/1029988429.db2.gz QWPYXOUYWHHHAZ-QGZVFWFLSA-N 1 0 388.508 3.690 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000843421318 1029993593 /nfs/dbraw/zinc/99/35/93/1029993593.db2.gz BOMHGYVCJSEWDR-ZDUSSCGKSA-N 1 0 388.393 3.957 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)CC1 ZINC001222375517 1030095106 /nfs/dbraw/zinc/09/51/06/1030095106.db2.gz JDCBRKWCYUYKLO-LJQANCHMSA-N 1 0 375.516 3.604 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573602 1030203588 /nfs/dbraw/zinc/20/35/88/1030203588.db2.gz BTSUJBULSMWBAU-HSZRJFAPSA-N 1 0 375.516 3.862 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602427 1030227545 /nfs/dbraw/zinc/22/75/45/1030227545.db2.gz PYDKFTUHEHIDAT-GOSISDBHSA-N 1 0 382.305 3.510 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCc3ccc(C#N)cc3)cc2)C1 ZINC001222665478 1030267682 /nfs/dbraw/zinc/26/76/82/1030267682.db2.gz DRKUOXXMXJLJQQ-IBGZPJMESA-N 1 0 390.531 3.832 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1C#N ZINC001217511272 1030452668 /nfs/dbraw/zinc/45/26/68/1030452668.db2.gz CFBRYJUNVVVIBY-HNNXBMFYSA-N 1 0 389.550 3.979 20 30 GHEDRO CCCCOc1ccc(-c2nnc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)o2)cc1 ZINC001217710931 1030620138 /nfs/dbraw/zinc/62/01/38/1030620138.db2.gz DSQHQRORKROMAJ-IBGZPJMESA-N 1 0 376.460 3.900 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CCC[NH2+]C[C@H]2C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001217996514 1030712884 /nfs/dbraw/zinc/71/28/84/1030712884.db2.gz SZBIOVYUGAEGMI-WWPPVBLWSA-N 1 0 397.471 3.769 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2CCC[NH2+]CC2)c1 ZINC001217996771 1030713836 /nfs/dbraw/zinc/71/38/36/1030713836.db2.gz LHNNYIGRKSJARQ-HKMNZKMDSA-N 1 0 397.471 3.826 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3CC[NH2+]CC[C@H]3F)c3ccccc23)ccc1F ZINC001218016888 1030724395 /nfs/dbraw/zinc/72/43/95/1030724395.db2.gz HIKJKYGBGDJBQB-CTNGQTDRSA-N 1 0 394.425 3.700 20 30 GHEDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001218023208 1030728546 /nfs/dbraw/zinc/72/85/46/1030728546.db2.gz HNHJVVGYQCWYKI-NOZJJQNGSA-N 1 0 388.103 3.850 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001223765491 1030743592 /nfs/dbraw/zinc/74/35/92/1030743592.db2.gz MRVUGTCCNHHOAR-HTAPYJJXSA-N 1 0 378.472 3.772 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001223765829 1030745023 /nfs/dbraw/zinc/74/50/23/1030745023.db2.gz UDPWTTYULQEUCG-WTIAFYNJSA-N 1 0 390.483 3.772 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001223765830 1030745199 /nfs/dbraw/zinc/74/51/99/1030745199.db2.gz UDPWTTYULQEUCG-WWPVKYPJSA-N 1 0 390.483 3.772 20 30 GHEDRO C#CCN(C(=O)NCCc1c(C)cc(C(C)(C)C)cc1C)C1CC[NH+](C)CC1 ZINC001223789011 1030751452 /nfs/dbraw/zinc/75/14/52/1030751452.db2.gz JIVMCXYGXITNBR-UHFFFAOYSA-N 1 0 383.580 3.882 20 30 GHEDRO COc1cc(O)cc(OC2CC3(C2)CC[NH2+]C3)c1C(=O)/C=C/c1ccccc1 ZINC001218064352 1030751434 /nfs/dbraw/zinc/75/14/34/1030751434.db2.gz WGNGGFGXHLSEST-BQYQJAHWSA-N 1 0 379.456 3.818 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218088652 1030764746 /nfs/dbraw/zinc/76/47/46/1030764746.db2.gz BLMVORFQWQOJNI-URAAWQOHSA-N 1 0 393.439 3.625 20 30 GHEDRO CCCCCCCC(=O)CCc1ccc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c(OC)c1 ZINC001218110904 1030777538 /nfs/dbraw/zinc/77/75/38/1030777538.db2.gz POZUHFIDCCZTHA-NFBKMPQASA-N 1 0 388.552 3.592 20 30 GHEDRO COc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218185774 1030811906 /nfs/dbraw/zinc/81/19/06/1030811906.db2.gz CHFFDJQPIZSQSJ-XJONFWCFSA-N 1 0 379.456 3.959 20 30 GHEDRO CCOC(=O)c1c2cc(O[C@@H]3C[NH2+]C[C@@H]3C#N)ccc2oc1-c1ccccc1 ZINC001218200871 1030821592 /nfs/dbraw/zinc/82/15/92/1030821592.db2.gz NZTVYBZHKJPLQE-HNAYVOBHSA-N 1 0 376.412 3.767 20 30 GHEDRO CCCCCCCCC(=O)NCc1ccc(O[C@H]2C[NH2+]C[C@@H]2C#N)c(OC)c1 ZINC001218202144 1030826146 /nfs/dbraw/zinc/82/61/46/1030826146.db2.gz YRLNYTSPUUKPAO-RXVVDRJESA-N 1 0 387.524 3.552 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)cc(OC)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218209376 1030830457 /nfs/dbraw/zinc/83/04/57/1030830457.db2.gz XPPJCZRIOYLUMQ-MECCDNJOSA-N 1 0 395.455 3.602 20 30 GHEDRO CC1(C)C[NH2+]CC[C@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001218310841 1030885783 /nfs/dbraw/zinc/88/57/83/1030885783.db2.gz ASBZUUSQKHDQLR-GFCCVEGCSA-N 1 0 388.103 3.850 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[NH2+]CC2(C)C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218314439 1030887381 /nfs/dbraw/zinc/88/73/81/1030887381.db2.gz AHBAYAQXZGWTFA-VHTFYLNKSA-N 1 0 397.471 3.769 20 30 GHEDRO CCOC(=O)[C@H](O[C@@H]1CCN(Cc2ccccc2C#N)C1)c1ccccc1F ZINC001224153723 1030904711 /nfs/dbraw/zinc/90/47/11/1030904711.db2.gz IPOUSSZPWXHUQR-WIYYLYMNSA-N 1 0 382.435 3.593 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@H](C)[NH2+]C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218407825 1030926371 /nfs/dbraw/zinc/92/63/71/1030926371.db2.gz NOLSQUIFYHXXCE-JCBBUQKSSA-N 1 0 395.455 3.579 20 30 GHEDRO C=CCc1c(O[C@@H]2CC[C@H](C)[NH2+]C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218408024 1030926433 /nfs/dbraw/zinc/92/64/33/1030926433.db2.gz OTKPFTKRCDWSTE-FUHWJXTLSA-N 1 0 375.472 3.634 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)c(C#N)c2)nc1C ZINC001218461414 1030946414 /nfs/dbraw/zinc/94/64/14/1030946414.db2.gz RQAALHCKLAZUPN-UWWQBHOKSA-N 1 0 397.500 3.544 20 30 GHEDRO Cc1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218472191 1030951766 /nfs/dbraw/zinc/95/17/66/1030951766.db2.gz KLIVYRXMQZSARC-NPAGEJDUSA-N 1 0 393.483 3.988 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3C[NH2+]CC[C@H]3C)c(C#N)c2)nc1C ZINC001218482716 1030955526 /nfs/dbraw/zinc/95/55/26/1030955526.db2.gz METSNGOWIBDLPZ-PXAZEXFGSA-N 1 0 385.489 3.544 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)cc(C)c2O)C1=O ZINC001276964386 1030970275 /nfs/dbraw/zinc/97/02/75/1030970275.db2.gz APYFHYAHVGHDCF-IBGZPJMESA-N 1 0 393.325 3.606 20 30 GHEDRO N#Cc1cc2cccnc2nc1NC(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC001218544364 1030981534 /nfs/dbraw/zinc/98/15/34/1030981534.db2.gz PGNAZCLVGJCOTI-OAHLLOKOSA-N 1 0 385.349 3.549 20 30 GHEDRO Cn1c(C[NH2+]CCOC(F)(F)C(F)(F)F)nc2cc(C(F)(F)F)ccc21 ZINC001461732635 1069708870 /nfs/dbraw/zinc/70/88/70/1069708870.db2.gz WEZBKGOTNRFGFB-UHFFFAOYSA-N 1 0 391.262 3.853 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)Nc2csc(Cc3cccc(Br)c3)n2)C1 ZINC001218764139 1031071908 /nfs/dbraw/zinc/07/19/08/1031071908.db2.gz KPUDKUMJMSJAEG-KRWDZBQOSA-N 1 0 392.322 3.743 20 30 GHEDRO C#CCN(C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC001224664894 1031072708 /nfs/dbraw/zinc/07/27/08/1031072708.db2.gz OSLHYAFWPSTQGR-QHCPKHFHSA-N 1 0 375.516 3.841 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C[NH2+]3)n2)s1 ZINC001218787953 1031079057 /nfs/dbraw/zinc/07/90/57/1031079057.db2.gz OVCZUMIZBVWUSV-PSASIEDQSA-N 1 0 386.424 3.612 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)ccc1N1CCCCC1 ZINC001218945626 1031170454 /nfs/dbraw/zinc/17/04/54/1031170454.db2.gz ZJVJINHSZUEWGS-OAQYLSRUSA-N 1 0 399.498 3.605 20 30 GHEDRO CCCCOc1c(NC(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)ccc(F)c1F ZINC001218959037 1031177841 /nfs/dbraw/zinc/17/78/41/1031177841.db2.gz MFQJZCRHHPPVNU-INIZCTEOSA-N 1 0 387.430 3.914 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)C[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001218979694 1031191554 /nfs/dbraw/zinc/19/15/54/1031191554.db2.gz UTXYVNRBPWEWEF-KRWDZBQOSA-N 1 0 381.476 3.643 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Br)c(C)c3C)C2)C1=O ZINC001277025546 1031314479 /nfs/dbraw/zinc/31/44/79/1031314479.db2.gz FJBYUQVEJQHROD-LJQANCHMSA-N 1 0 377.326 3.676 20 30 GHEDRO O=C(C[C@@H]1CC[NH2+]C[C@H]1F)Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC001219273983 1031336257 /nfs/dbraw/zinc/33/62/57/1031336257.db2.gz RIMLPAXYSOHFRB-GZMMTYOYSA-N 1 0 388.283 3.880 20 30 GHEDRO C#Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cccc(C(F)(F)F)c2)cc1F ZINC001219384806 1031389524 /nfs/dbraw/zinc/38/95/24/1031389524.db2.gz XGHBESDRFGHJAK-SJORKVTESA-N 1 0 376.353 3.768 20 30 GHEDRO Cn1cc(C[C@H]([NH3+])C(=O)Nc2ccccc2-c2ccc(C#N)cn2)c2ccccc21 ZINC001219422882 1031411540 /nfs/dbraw/zinc/41/15/40/1031411540.db2.gz RVVPBIYLVMBSMP-FQEVSTJZSA-N 1 0 395.466 3.620 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2cccs2)ccc1N ZINC001219432374 1031417224 /nfs/dbraw/zinc/41/72/24/1031417224.db2.gz VBYXJAGRKSEWTG-MSOLQXFVSA-N 1 0 388.496 3.811 20 30 GHEDRO N#Cc1ccc(NC(=O)C2=CC3(CC[NH2+]CC3)c3ccccc32)c2cccnc12 ZINC001219464567 1031438315 /nfs/dbraw/zinc/43/83/15/1031438315.db2.gz ATIPHVNLYOWKMO-UHFFFAOYSA-N 1 0 380.451 3.763 20 30 GHEDRO CCC(CC)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC001225824010 1031632403 /nfs/dbraw/zinc/63/24/03/1031632403.db2.gz GNNVOQVEIZRRTE-NXMSCROESA-N 1 0 399.531 3.880 20 30 GHEDRO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1C#N ZINC001219840471 1031649911 /nfs/dbraw/zinc/64/99/11/1031649911.db2.gz AWEOSUSXTJUSLC-KRWDZBQOSA-N 1 0 378.476 3.553 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC001219950230 1031714456 /nfs/dbraw/zinc/71/44/56/1031714456.db2.gz NWZDJGWMZKUDJX-NOBSLGHSSA-N 1 0 387.527 3.921 20 30 GHEDRO COc1ncc(NC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001220042065 1031754056 /nfs/dbraw/zinc/75/40/56/1031754056.db2.gz JLIHBNBXBPQHHE-IBGZPJMESA-N 1 0 393.491 3.528 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC001220248464 1031860711 /nfs/dbraw/zinc/86/07/11/1031860711.db2.gz SUWWKPNCIOVQED-DEOSSOPVSA-N 1 0 383.495 3.766 20 30 GHEDRO C#Cc1ccc(CNC(=O)C[C@@H]([NH3+])Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC001220382495 1031920163 /nfs/dbraw/zinc/92/01/63/1031920163.db2.gz YDLQHLIUJVATHY-DEOSSOPVSA-N 1 0 398.506 3.823 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCc1cccc(-c2cccs2)c1 ZINC001220451041 1031947224 /nfs/dbraw/zinc/94/72/24/1031947224.db2.gz GPPLRMXAHGHXGM-FQEVSTJZSA-N 1 0 375.497 3.863 20 30 GHEDRO C#Cc1cccc(CNC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1 ZINC001220485331 1031959807 /nfs/dbraw/zinc/95/98/07/1031959807.db2.gz DRPXEBZAOYMBIZ-HSZRJFAPSA-N 1 0 391.515 3.703 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC#C[C@@H]2CCCCO2)C1 ZINC001220523420 1031975521 /nfs/dbraw/zinc/97/55/21/1031975521.db2.gz HEQIXGOBNXFWRW-VIZSFHNOSA-N 1 0 397.563 3.536 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001220664022 1032051071 /nfs/dbraw/zinc/05/10/71/1032051071.db2.gz UNKJPRWGKZNFHR-JXFKEZNVSA-N 1 0 375.472 3.547 20 30 GHEDRO COc1ccc(C[C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC001205387896 1033389727 /nfs/dbraw/zinc/38/97/27/1033389727.db2.gz AVBTVVZZPLLDLH-INIZCTEOSA-N 1 0 390.487 3.697 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001205479287 1033432328 /nfs/dbraw/zinc/43/23/28/1033432328.db2.gz ZGWKGHWAXQJQFR-JMUQELJHSA-N 1 0 378.495 3.825 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001205479289 1033432713 /nfs/dbraw/zinc/43/27/13/1033432713.db2.gz ZGWKGHWAXQJQFR-RZFNWQHOSA-N 1 0 378.495 3.825 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001229589234 1033578664 /nfs/dbraw/zinc/57/86/64/1033578664.db2.gz PPUVTSUFTYHPJI-UTKZUKDTSA-N 1 0 376.504 3.756 20 30 GHEDRO CCC[NH+]1C[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]2C1 ZINC001157690797 1033724542 /nfs/dbraw/zinc/72/45/42/1033724542.db2.gz FKCQQYJXUDISFZ-GJZGRUSLSA-N 1 0 385.874 3.586 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]2C1 ZINC001157690796 1033725409 /nfs/dbraw/zinc/72/54/09/1033725409.db2.gz FKCQQYJXUDISFZ-GASCZTMLSA-N 1 0 385.874 3.586 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)CC(F)(F)F ZINC001206291819 1033785182 /nfs/dbraw/zinc/78/51/82/1033785182.db2.gz CDNREXFUWLNKBY-CYBMUJFWSA-N 1 0 375.366 3.633 20 30 GHEDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H](CC#N)C[N+](C)(C)C)c1Br ZINC001229939771 1033803722 /nfs/dbraw/zinc/80/37/22/1033803722.db2.gz UFSHGJMSOMUFDS-SNVBAGLBSA-N 1 0 391.673 3.686 20 30 GHEDRO C=CCCC(C)(C)[NH2+]C[C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C ZINC001206770720 1033977774 /nfs/dbraw/zinc/97/77/74/1033977774.db2.gz LMJNTAHIYDBVJX-KRWDZBQOSA-N 1 0 378.561 3.746 20 30 GHEDRO C=CC[NH2+]CCN1CCC(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001206805130 1033991179 /nfs/dbraw/zinc/99/11/79/1033991179.db2.gz AHOAAUUHDJMBLZ-UHFFFAOYSA-N 1 0 378.516 3.936 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001158481378 1034100680 /nfs/dbraw/zinc/10/06/80/1034100680.db2.gz BZAVGSUWQAMMQP-UHFFFAOYSA-N 1 0 375.501 3.586 20 30 GHEDRO C#CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccccc1 ZINC001230565909 1034124280 /nfs/dbraw/zinc/12/42/80/1034124280.db2.gz NCLVONNFPKNPEH-OFNKIYASSA-N 1 0 375.516 3.915 20 30 GHEDRO C=CCN(CC[NH+]1CCC(N2Cc3ccccc3C2=O)CC1)C(=O)OC(C)(C)C ZINC001207204103 1034173205 /nfs/dbraw/zinc/17/32/05/1034173205.db2.gz BSRFIVXJROROBV-UHFFFAOYSA-N 1 0 399.535 3.530 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(CCOCc1ccccc1)CC2 ZINC001207230371 1034197034 /nfs/dbraw/zinc/19/70/34/1034197034.db2.gz AOTUIYDYMBXDHD-UHFFFAOYSA-N 1 0 381.520 3.571 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(Br)cc(OC(F)(F)F)c1 ZINC001230827333 1034241410 /nfs/dbraw/zinc/24/14/10/1034241410.db2.gz BQHZECPGDOKIQV-LLVKDONJSA-N 1 0 382.200 3.715 20 30 GHEDRO C[C@H](c1ccccc1)N(c1nc(Cl)nc2c1C[NH2+]CC2)C1=CC(=O)CCC1 ZINC001158795585 1034273951 /nfs/dbraw/zinc/27/39/51/1034273951.db2.gz LBMOTFMORILAPY-CQSZACIVSA-N 1 0 382.895 3.980 20 30 GHEDRO C=C[C@@H](CO)Nc1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001158818322 1034286028 /nfs/dbraw/zinc/28/60/28/1034286028.db2.gz ZEQNXRXTCHDAIZ-KRWDZBQOSA-N 1 0 399.922 3.715 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC001207350495 1034296919 /nfs/dbraw/zinc/29/69/19/1034296919.db2.gz RERYYPHNSGBNON-MRXNPFEDSA-N 1 0 391.475 3.826 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1C#N ZINC001231030548 1034350274 /nfs/dbraw/zinc/35/02/74/1034350274.db2.gz KKRKGSKYUGKHHY-IBGZPJMESA-N 1 0 384.863 3.580 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001277487145 1034380179 /nfs/dbraw/zinc/38/01/79/1034380179.db2.gz FMJKGMYGVQFXLQ-LJQANCHMSA-N 1 0 381.854 3.681 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001207494402 1034399232 /nfs/dbraw/zinc/39/92/32/1034399232.db2.gz ZGWAXGXDEIRLGU-MRXNPFEDSA-N 1 0 379.549 3.909 20 30 GHEDRO CCOC(=O)c1sc(SC)c(C#N)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159135102 1034445093 /nfs/dbraw/zinc/44/50/93/1034445093.db2.gz PRURDMOZFNXXQJ-UHFFFAOYSA-N 1 0 398.513 3.820 20 30 GHEDRO COC(=O)c1sc(Nc2ccc(COC3CC[NH2+]CC3)cc2)c(C#N)c1C ZINC001159152860 1034454500 /nfs/dbraw/zinc/45/45/00/1034454500.db2.gz GDNNPIWQMZVCKU-UHFFFAOYSA-N 1 0 385.489 3.727 20 30 GHEDRO COc1ccc(CCC[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC001207585697 1034466277 /nfs/dbraw/zinc/46/62/77/1034466277.db2.gz XIQZIWBYSUXFTH-UHFFFAOYSA-N 1 0 392.503 3.786 20 30 GHEDRO COc1ccc(C#N)cc1Nc1sc2c(c1C(=O)OC(C)(C)C)CC[NH2+]C2 ZINC001159273001 1034516908 /nfs/dbraw/zinc/51/69/08/1034516908.db2.gz UDPCNELBJSVGMW-UHFFFAOYSA-N 1 0 385.489 3.973 20 30 GHEDRO N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159275012 1034517903 /nfs/dbraw/zinc/51/79/03/1034517903.db2.gz WVGRQDZXBMQCCU-UHFFFAOYSA-N 1 0 392.894 3.546 20 30 GHEDRO N#Cc1cc(C(F)(F)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cnc1Cl ZINC001159545162 1034655631 /nfs/dbraw/zinc/65/56/31/1034655631.db2.gz GLXFWOPSNNCOIS-UHFFFAOYSA-N 1 0 380.870 3.885 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)C2 ZINC001231523418 1034675514 /nfs/dbraw/zinc/67/55/14/1034675514.db2.gz TWLOJKASRNMJPZ-IBGZPJMESA-N 1 0 382.426 3.944 20 30 GHEDRO N#Cc1cc(Nc2cccc(F)c2I)cc(C2C[NH2+]C2)c1 ZINC001159624474 1034693179 /nfs/dbraw/zinc/69/31/79/1034693179.db2.gz VCFAJTDVXRQAFI-UHFFFAOYSA-N 1 0 393.203 3.732 20 30 GHEDRO COc1cc(OC(F)(F)F)ccc1Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001159742773 1034731528 /nfs/dbraw/zinc/73/15/28/1034731528.db2.gz NHRYALHBDJNYEF-UHFFFAOYSA-N 1 0 392.381 3.619 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001208097230 1034734664 /nfs/dbraw/zinc/73/46/64/1034734664.db2.gz WRQMXRVDJSYDEH-IBGZPJMESA-N 1 0 379.545 3.951 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208118073 1034743392 /nfs/dbraw/zinc/74/33/92/1034743392.db2.gz CSLJBVXDMLLECR-LZLPKMGPSA-N 1 0 392.584 3.633 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)COCCN(Cc1cc(Cl)c(Cl)cc1C)C2 ZINC001276559759 1034759624 /nfs/dbraw/zinc/75/96/24/1034759624.db2.gz JUKMARGDVCQYLH-LJQANCHMSA-N 1 0 383.319 3.539 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC001231620871 1034777298 /nfs/dbraw/zinc/77/72/98/1034777298.db2.gz OMOXHUDGSKSMHW-IFMALSPDSA-N 1 0 378.472 3.878 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160108832 1034864703 /nfs/dbraw/zinc/86/47/03/1034864703.db2.gz YIWIBQGIEJEMST-UHFFFAOYSA-N 1 0 387.462 3.781 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccnc3OC(C)C)CC2)C1 ZINC001231754703 1034883555 /nfs/dbraw/zinc/88/35/55/1034883555.db2.gz HXDIWPXFFCWRGQ-UHFFFAOYSA-N 1 0 387.524 3.869 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)Cc2c(C)cc(C#N)cc2C)c1 ZINC001208404813 1034885117 /nfs/dbraw/zinc/88/51/17/1034885117.db2.gz VLQVPHJSNMOTMA-UHFFFAOYSA-N 1 0 399.560 3.637 20 30 GHEDRO C#Cc1cccc(N(C=C2CC[NH2+]CC2)c2ncnc3cc(OC)c(N)cc32)c1 ZINC001160280146 1034927439 /nfs/dbraw/zinc/92/74/39/1034927439.db2.gz YEZUYRTXPWNRDM-UHFFFAOYSA-N 1 0 385.471 3.607 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001231821760 1034929027 /nfs/dbraw/zinc/92/90/27/1034929027.db2.gz MDCYVSYTANNKHM-ROUUACIJSA-N 1 0 386.540 3.866 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](C[C@H]1CCCCN1Cc1ccccc1)CC2 ZINC001208586853 1034943866 /nfs/dbraw/zinc/94/38/66/1034943866.db2.gz YSSNJPSJWFAIJD-JOCHJYFZSA-N 1 0 381.564 3.684 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001160737978 1035049856 /nfs/dbraw/zinc/04/98/56/1035049856.db2.gz LMKNIDFGWGADPG-PMACEKPBSA-N 1 0 381.907 3.976 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)COc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001160750672 1035055298 /nfs/dbraw/zinc/05/52/98/1035055298.db2.gz QUUBVPBSTOVZAP-QFIPXVFZSA-N 1 0 379.504 3.555 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)c1 ZINC001208851691 1035058398 /nfs/dbraw/zinc/05/83/98/1035058398.db2.gz IZFQZYAHWBNJIK-UHFFFAOYSA-N 1 0 377.488 3.712 20 30 GHEDRO Cc1ccc(N2C[C@]3(CC[N@H+](CCCc4cccc(C#N)c4)C3)CC2=O)s1 ZINC001208851768 1035058712 /nfs/dbraw/zinc/05/87/12/1035058712.db2.gz DSKLADJRULHOHK-JOCHJYFZSA-N 1 0 379.529 3.990 20 30 GHEDRO CCn1ncc2c1C[N@H+](CCCc1ccc(C#N)cc1)C[C@@H]2COCC1CC1 ZINC001208859672 1035063594 /nfs/dbraw/zinc/06/35/94/1035063594.db2.gz SRCUJSMAYZMNMV-OAQYLSRUSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)cc1 ZINC001208861613 1035064353 /nfs/dbraw/zinc/06/43/53/1035064353.db2.gz OFELTNSOXPPTKA-FYYLOGMGSA-N 1 0 377.488 3.588 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)cc1 ZINC001208861478 1035064944 /nfs/dbraw/zinc/06/49/44/1035064944.db2.gz LEGRGCRUYNQPKN-YTFSRNRJSA-N 1 0 377.488 3.587 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC001208924234 1035090728 /nfs/dbraw/zinc/09/07/28/1035090728.db2.gz ZAEBBVHJIJRTEH-NRFANRHFSA-N 1 0 382.458 3.733 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@@H]2CF)CC1 ZINC001208925942 1035091991 /nfs/dbraw/zinc/09/19/91/1035091991.db2.gz ZJOQMNMGCFIQFU-OALUTQOASA-N 1 0 387.499 3.676 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)cc1 ZINC001208926582 1035092070 /nfs/dbraw/zinc/09/20/70/1035092070.db2.gz INHHOJXZBZNRSZ-DEOSSOPVSA-N 1 0 393.506 3.859 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC001208926516 1035092085 /nfs/dbraw/zinc/09/20/85/1035092085.db2.gz UQEZORVMBIXILO-UHFFFAOYSA-N 1 0 384.321 3.681 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)cc1Cl ZINC001232112823 1035101612 /nfs/dbraw/zinc/10/16/12/1035101612.db2.gz KZEYNADVTOLKLV-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C1 ZINC001160994371 1035114373 /nfs/dbraw/zinc/11/43/73/1035114373.db2.gz UVOWUEQXPFUNJH-VWNXMTODSA-N 1 0 385.511 3.653 20 30 GHEDRO C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3ncccc3Br)C2)C1=O ZINC001277619767 1035126210 /nfs/dbraw/zinc/12/62/10/1035126210.db2.gz UPOHIBRRZPHUJH-HXUWFJFHSA-N 1 0 398.304 3.520 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3ncccc3Br)CC2)C1=O ZINC001277619881 1035126325 /nfs/dbraw/zinc/12/63/25/1035126325.db2.gz YIGSGVUCRLQCDV-LJQANCHMSA-N 1 0 392.341 3.625 20 30 GHEDRO COc1ccc(F)cc1C[NH+]1CCC(Nc2ncnc3ccc(C#N)cc32)CC1 ZINC001161151706 1035159984 /nfs/dbraw/zinc/15/99/84/1035159984.db2.gz CBVHAKJGKAUIGX-UHFFFAOYSA-N 1 0 391.450 3.726 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1NC1CC[NH+](CC(C)(C)C)CC1 ZINC001161207598 1035180631 /nfs/dbraw/zinc/18/06/31/1035180631.db2.gz TWZLPVCRMPKRJP-UHFFFAOYSA-N 1 0 378.904 3.706 20 30 GHEDRO C=CCN(C(=O)[C@@H](c1cc2ccccc2[nH]1)N1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC001161247778 1035192328 /nfs/dbraw/zinc/19/23/28/1035192328.db2.gz JZFKRERIUVVMSL-AUSIDOKSSA-N 1 0 394.563 3.979 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001161275866 1035199550 /nfs/dbraw/zinc/19/95/50/1035199550.db2.gz IHDDFZMNGHKWAR-QFIPXVFZSA-N 1 0 391.591 3.705 20 30 GHEDRO CCc1cc(C(=O)N(Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)ccc1C#N ZINC001161285842 1035202484 /nfs/dbraw/zinc/20/24/84/1035202484.db2.gz HCBDLMRECLFECL-UHFFFAOYSA-N 1 0 379.479 3.963 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCCc4ccncc4)C3)C2)c1 ZINC001209188694 1035204682 /nfs/dbraw/zinc/20/46/82/1035204682.db2.gz SABKHFVWWDKFOK-DEOSSOPVSA-N 1 0 390.531 3.505 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)C[C@H]([NH3+])Cc3ccccc3Cl)C2)cc1 ZINC001161323640 1035208724 /nfs/dbraw/zinc/20/87/24/1035208724.db2.gz AZQLILFKKMHYGI-UYAOXDASSA-N 1 0 397.906 3.542 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3cccc([C@@H]4CCC[NH2+]4)c3)C2)cc1 ZINC001161329066 1035209562 /nfs/dbraw/zinc/20/95/62/1035209562.db2.gz RXCCZVOIOYJFKW-YADHBBJMSA-N 1 0 375.472 3.666 20 30 GHEDRO C#CC[C@H]([NH3+])C(=O)N([C@H](C)c1ccccc1)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001161604040 1035270950 /nfs/dbraw/zinc/27/09/50/1035270950.db2.gz LLWJBNHQPFNHCG-MSYGRNIXSA-N 1 0 376.500 3.675 20 30 GHEDRO C=CCCCCCC[NH+]1CCC2(CC1)c1ncc(-c3cnn(C)c3)n1CCN2C ZINC001209437604 1035273992 /nfs/dbraw/zinc/27/39/92/1035273992.db2.gz OSCGADZGZLTUDR-UHFFFAOYSA-N 1 0 396.583 3.657 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2OC[C@@H](C(=O)N3CCCCO3)C[C@H]2C1 ZINC001209439296 1035274506 /nfs/dbraw/zinc/27/45/06/1035274506.db2.gz LYJPCLBJBUNUFV-PCCBWWKXSA-N 1 0 378.557 3.794 20 30 GHEDRO C=CCCCCCCC[N@H+]1CC[C@H]2O[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]21 ZINC001209439365 1035274622 /nfs/dbraw/zinc/27/46/22/1035274622.db2.gz NJLFBZCMYZJBOO-VSKRKVRLSA-N 1 0 385.552 3.798 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(C(F)(F)F)cc3F)no2)cc1 ZINC001248154620 1035580352 /nfs/dbraw/zinc/58/03/52/1035580352.db2.gz DFDNWMNNYMPTPL-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cc(F)ccc3C(F)(F)F)no2)cc1 ZINC001248156129 1035583321 /nfs/dbraw/zinc/58/33/21/1035583321.db2.gz GBNFAOFHRLEDHS-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO Cc1ccnc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1Br ZINC001462008655 1069941911 /nfs/dbraw/zinc/94/19/11/1069941911.db2.gz LUWXIIZBJCVKBV-UHFFFAOYSA-N 1 0 399.336 3.732 20 30 GHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001242117931 1035819299 /nfs/dbraw/zinc/81/92/99/1035819299.db2.gz XVBOCSIVVMGHTR-SFHVURJKSA-N 1 0 386.455 3.673 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001242178795 1035850867 /nfs/dbraw/zinc/85/08/67/1035850867.db2.gz FSEBUIXSLCCMBR-IBGZPJMESA-N 1 0 389.517 3.846 20 30 GHEDRO C[NH+]1CCC(n2cc(-c3ncc4c(c3C#N)N(Cc3ccccc3)CC4)cn2)CC1 ZINC001242727279 1035948695 /nfs/dbraw/zinc/94/86/95/1035948695.db2.gz XLEWIBHTMRYKLN-UHFFFAOYSA-N 1 0 398.514 3.646 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001248751487 1036110391 /nfs/dbraw/zinc/11/03/91/1036110391.db2.gz YAGLVAPAOMAFLC-XMMPIXPASA-N 1 0 384.483 3.621 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(Cc1cn(C)c3ccnc(Cl)c13)CCO2 ZINC001248836993 1036194338 /nfs/dbraw/zinc/19/43/38/1036194338.db2.gz LIUSBQOENDLKCX-DYESRHJHSA-N 1 0 389.927 3.800 20 30 GHEDRO C[NH+]1CCC(c2ccc(-c3ccc(CN4CCS/C4=N\C#N)cn3)cc2)CC1 ZINC001243652674 1036237436 /nfs/dbraw/zinc/23/74/36/1036237436.db2.gz LBCARWOSMRDGQY-LVWGJNHUSA-N 1 0 391.544 3.944 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1cccc(C2(C#N)CCOCC2)c1 ZINC001244161752 1036407359 /nfs/dbraw/zinc/40/73/59/1036407359.db2.gz QJYBRUJDNKTDBW-UHFFFAOYSA-N 1 0 391.515 3.686 20 30 GHEDRO N#Cc1cccc(Oc2nc(C3=CC[C@H]([NH+]4CCOCC4)CC3)ncc2F)c1 ZINC001245421517 1036916565 /nfs/dbraw/zinc/91/65/65/1036916565.db2.gz BAVDBHWACONVMH-KRWDZBQOSA-N 1 0 380.423 3.548 20 30 GHEDRO Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC[C@]1(O)CCC[NH2+]C1 ZINC001245964621 1037087261 /nfs/dbraw/zinc/08/72/61/1037087261.db2.gz YZHSAUWXISDISY-ZDUSSCGKSA-N 1 0 388.327 3.811 20 30 GHEDRO CCCCCCC[NH+]1CCC2(CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001278435274 1037230224 /nfs/dbraw/zinc/23/02/24/1037230224.db2.gz LSPGVXYHUSWREM-UHFFFAOYSA-N 1 0 380.964 3.821 20 30 GHEDRO C[NH2+]CC[C@H](C)[NH2+]Cc1ccc(-c2cccc(Oc3ccnc(C#N)n3)c2)cc1 ZINC001246294903 1037283031 /nfs/dbraw/zinc/28/30/31/1037283031.db2.gz NNOCNBSIGINSRT-KRWDZBQOSA-N 1 0 387.487 3.895 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])N[C@@H](C)Cc2cccc(Br)c2)cc1 ZINC001246306091 1037287297 /nfs/dbraw/zinc/28/72/97/1037287297.db2.gz SNUOPLDZUWDHHA-LBPRGKRZSA-N 1 0 375.266 3.572 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1)CC2 ZINC001246526546 1037457432 /nfs/dbraw/zinc/45/74/32/1037457432.db2.gz PADNLEZWHDEEEN-PMOLBWCYSA-N 1 0 377.573 3.796 20 30 GHEDRO N#C[C@@H]1CN(C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCN1 ZINC001246835438 1037665166 /nfs/dbraw/zinc/66/51/66/1037665166.db2.gz KIWALXDJJQCIDE-CZUALIRWSA-N 1 0 388.559 3.797 20 30 GHEDRO CN(C)c1ccc(-c2nc3ccccc3n2CC2CC[NH2+]CC2)c(F)c1C#N ZINC001247024541 1037846016 /nfs/dbraw/zinc/84/60/16/1037846016.db2.gz GHDUPILPICEIKA-UHFFFAOYSA-N 1 0 377.467 3.780 20 30 GHEDRO CCCCCCCCNC(=S)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001247166649 1037960260 /nfs/dbraw/zinc/96/02/60/1037960260.db2.gz NMVWIQUNSAFKJE-UHFFFAOYSA-N 1 0 376.614 3.763 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cnc(OCC)c(C)c3)C2)CC1 ZINC001232302635 1038048735 /nfs/dbraw/zinc/04/87/35/1038048735.db2.gz ITPWOWWWCASSMQ-UHFFFAOYSA-N 1 0 387.524 3.789 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OCC)nc3C)C2)CC1 ZINC001232309098 1038060973 /nfs/dbraw/zinc/06/09/73/1038060973.db2.gz ZGUBKHIOYWMEPZ-UHFFFAOYSA-N 1 0 387.524 3.789 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)c(Cl)cc1OC)C2 ZINC001232372304 1038147268 /nfs/dbraw/zinc/14/72/68/1038147268.db2.gz HUXKQLJNBPYFKT-RTWAWAEBSA-N 1 0 395.927 3.931 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3c1cccc3C(=O)OC)C2 ZINC001232709150 1038507801 /nfs/dbraw/zinc/50/78/01/1038507801.db2.gz CZUHUZWSGGESTG-NZQKXSOJSA-N 1 0 398.503 3.528 20 30 GHEDRO C=CCN1C[C@]2(CC[N@@H+](Cc3ccc(CCCCCC)s3)C2)OCC1=O ZINC001277703809 1038509647 /nfs/dbraw/zinc/50/96/47/1038509647.db2.gz HDFSCTBNJFNFFB-OAQYLSRUSA-N 1 0 376.566 3.860 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)nc3Cl)C2)C1=O ZINC001232792283 1038558923 /nfs/dbraw/zinc/55/89/23/1038558923.db2.gz XHTWQIYDIIUDHY-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)c(C)cc1OC)[C@H]2CC ZINC001232830139 1038582124 /nfs/dbraw/zinc/58/21/24/1038582124.db2.gz IMRMATDGHBPWMM-GMAHTHKFSA-N 1 0 386.536 3.934 20 30 GHEDRO Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1ccc(C#N)s1)C2 ZINC001232842368 1038592193 /nfs/dbraw/zinc/59/21/93/1038592193.db2.gz AQJWAPNVYLHCPB-UHFFFAOYSA-N 1 0 375.501 3.741 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)s1 ZINC001232843298 1038594720 /nfs/dbraw/zinc/59/47/20/1038594720.db2.gz VJOOQEHEJIBBFZ-UGKGYDQZSA-N 1 0 385.577 3.580 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC001232889655 1038675142 /nfs/dbraw/zinc/67/51/42/1038675142.db2.gz NKHZZASGWSJQLQ-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC001232927100 1038714006 /nfs/dbraw/zinc/71/40/06/1038714006.db2.gz QSQGEJZBXNKDIU-XMMPIXPASA-N 1 0 396.494 3.757 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001233081051 1038848232 /nfs/dbraw/zinc/84/82/32/1038848232.db2.gz MJIXCERERGCPLE-JTHBVZDNSA-N 1 0 395.478 3.851 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001233081536 1038851024 /nfs/dbraw/zinc/85/10/24/1038851024.db2.gz YUXQXSQAZXADPP-RUZDIDTESA-N 1 0 396.494 3.998 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC001252121707 1038867325 /nfs/dbraw/zinc/86/73/25/1038867325.db2.gz KTIVOTWKZVBOLR-OAQYLSRUSA-N 1 0 387.568 3.526 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001252126713 1038875031 /nfs/dbraw/zinc/87/50/31/1038875031.db2.gz SBLIDBMKUUEOSY-KAOXLYBCSA-N 1 0 390.568 3.942 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4ccc(N(C)C)c(C#N)c4F)C[C@@H]3C2)cc1 ZINC001233099641 1038876417 /nfs/dbraw/zinc/87/64/17/1038876417.db2.gz XEPVRAKOYUDJNU-SFTDATJTSA-N 1 0 392.522 3.636 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1csc(C)n1 ZINC001252127848 1038878999 /nfs/dbraw/zinc/87/89/99/1038878999.db2.gz FRZWPSPYHKUBTL-SLFFLAALSA-N 1 0 393.597 3.738 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001252130007 1038882306 /nfs/dbraw/zinc/88/23/06/1038882306.db2.gz IOMQCBKRRKDTNC-MRXNPFEDSA-N 1 0 388.478 3.729 20 30 GHEDRO N#Cc1ccccc1OCCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252399847 1038981307 /nfs/dbraw/zinc/98/13/07/1038981307.db2.gz YLQOORIPDNAGCM-HXUWFJFHSA-N 1 0 376.456 3.510 20 30 GHEDRO C=CCOC[C@@H](O)C[N@H+]1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1 ZINC001252469913 1038999505 /nfs/dbraw/zinc/99/95/05/1038999505.db2.gz DUBRVDWKKGIBPR-GOTSBHOMSA-N 1 0 381.516 3.605 20 30 GHEDRO C=CCOC[C@H](O)C[NH+]1CCC(c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC001252473718 1038999716 /nfs/dbraw/zinc/99/97/16/1038999716.db2.gz OOIZYJBCERWHRU-HXUWFJFHSA-N 1 0 390.524 3.777 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C(=O)Nc2ccnc3[nH]ccc32)cc1 ZINC001252619396 1039050528 /nfs/dbraw/zinc/05/05/28/1039050528.db2.gz DKBQCFLWNPYNJL-CRAIPNDOSA-N 1 0 378.476 3.745 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnc3cccc(Cl)n13)C2 ZINC001233356995 1039176888 /nfs/dbraw/zinc/17/68/88/1039176888.db2.gz GOCSIISLFDLHOY-PXNSSMCTSA-N 1 0 375.900 3.561 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(N)cc3Cl)CC2)C1 ZINC001233373562 1039196233 /nfs/dbraw/zinc/19/62/33/1039196233.db2.gz OQVYHGSWQTYTQS-UHFFFAOYSA-N 1 0 377.916 3.923 20 30 GHEDRO CCCCCCCCCC[C@@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252983692 1039311064 /nfs/dbraw/zinc/31/10/64/1039311064.db2.gz YJFREBIUBOLVKV-HSZRJFAPSA-N 1 0 381.649 3.838 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)C2CCOCC2)CC1 ZINC001252988566 1039316138 /nfs/dbraw/zinc/31/61/38/1039316138.db2.gz GZYYBXJBNUYVMX-QFIPXVFZSA-N 1 0 396.616 3.885 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001253236498 1039491183 /nfs/dbraw/zinc/49/11/83/1039491183.db2.gz DLLQQGWNCNZJJG-JOCHJYFZSA-N 1 0 399.579 3.897 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001253236442 1039491793 /nfs/dbraw/zinc/49/17/93/1039491793.db2.gz CUPKDMQMTBFJBB-UNMCSNQZSA-N 1 0 398.551 3.676 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001253236249 1039491920 /nfs/dbraw/zinc/49/19/20/1039491920.db2.gz BZGAADFBKNVIMW-ISKFKSNPSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)C(C)C)O2 ZINC001253236981 1039492867 /nfs/dbraw/zinc/49/28/67/1039492867.db2.gz GYBSFLQKFPVNPP-QZNHQXDQSA-N 1 0 394.600 3.660 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCOC[C@H]2NC(=O)C(C)C)CC1 ZINC001253237877 1039494327 /nfs/dbraw/zinc/49/43/27/1039494327.db2.gz NZYIKHRXBVAYMG-LEWJYISDSA-N 1 0 394.600 3.517 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001253239247 1039496720 /nfs/dbraw/zinc/49/67/20/1039496720.db2.gz XBBAFHORNCCPDR-SLFFLAALSA-N 1 0 377.598 3.927 20 30 GHEDRO CC#C[C@H](CC(=O)OC)c1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)cc1 ZINC001233726758 1039570789 /nfs/dbraw/zinc/57/07/89/1039570789.db2.gz OSKSQWPEUBOGKV-CZTZKLFOSA-N 1 0 392.499 3.966 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001253565065 1039705207 /nfs/dbraw/zinc/70/52/07/1039705207.db2.gz IQMVOQKIMNPOOR-FQEVSTJZSA-N 1 0 383.621 3.540 20 30 GHEDRO C[C@H](C#N)CNC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001233951868 1039724250 /nfs/dbraw/zinc/72/42/50/1039724250.db2.gz GTBHURXNSVANLO-RZFNWQHOSA-N 1 0 376.504 3.504 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCc1cc[nH]n1 ZINC001253614764 1039724450 /nfs/dbraw/zinc/72/44/50/1039724450.db2.gz UOTKUBJLZQDBSL-JOCHJYFZSA-N 1 0 397.604 3.857 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CC(COC)C1 ZINC001253616957 1039728123 /nfs/dbraw/zinc/72/81/23/1039728123.db2.gz YFMDGGNMHMWCFS-QFIPXVFZSA-N 1 0 387.605 3.880 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@@H]4C[C@]5(CCC[NH2+]5)CO4)nn3)cc2)cc1 ZINC001254063617 1039980401 /nfs/dbraw/zinc/98/04/01/1039980401.db2.gz FUMGVCAAOLIXGA-LADGPHEKSA-N 1 0 384.483 3.505 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccccc1-c1cc(=O)c2cc(O)ccc2o1 ZINC001234372237 1039989755 /nfs/dbraw/zinc/98/97/55/1039989755.db2.gz YSUCSZLTPFVSKG-MRXNPFEDSA-O 1 0 379.436 3.533 20 30 GHEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C(C)(C)c3ccc(C#N)cc3)CC2)cc1 ZINC001254168984 1040022813 /nfs/dbraw/zinc/02/28/13/1040022813.db2.gz ZOFANZXHUWNWKC-UHFFFAOYSA-N 1 0 397.544 3.545 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001254203582 1040053655 /nfs/dbraw/zinc/05/36/55/1040053655.db2.gz YWPONCIAEDGHGB-CNNODRBYSA-N 1 0 394.556 3.602 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc3sccc3nc1Cl)CC2 ZINC001277866947 1040145271 /nfs/dbraw/zinc/14/52/71/1040145271.db2.gz MGYRZLTYJOUNHN-UHFFFAOYSA-N 1 0 387.936 3.788 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc4sccc4nc3Cl)CC2)C1=O ZINC001277867178 1040146928 /nfs/dbraw/zinc/14/69/28/1040146928.db2.gz USYBTMUPXJGZQW-FQEVSTJZSA-N 1 0 387.936 3.788 20 30 GHEDRO COCc1cccc([C@H](CO)[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)c1 ZINC001254351190 1040184375 /nfs/dbraw/zinc/18/43/75/1040184375.db2.gz FOZOSLQTJPOINE-KOENEWCDSA-N 1 0 382.479 3.999 20 30 GHEDRO COCc1cccc([C@@H](CO)[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)c1 ZINC001254351191 1040184828 /nfs/dbraw/zinc/18/48/28/1040184828.db2.gz FOZOSLQTJPOINE-OOMBGRCJSA-N 1 0 382.479 3.999 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CCN(c3ccncn3)CC2)CC1 ZINC001254351546 1040185052 /nfs/dbraw/zinc/18/50/52/1040185052.db2.gz KMQWVABCOBBIET-UHFFFAOYSA-N 1 0 379.483 3.578 20 30 GHEDRO [NH2+]=C(NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001254464904 1040251304 /nfs/dbraw/zinc/25/13/04/1040251304.db2.gz MXWMJOKWRHNZSO-UHFFFAOYSA-N 1 0 392.381 3.988 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001254550321 1040317717 /nfs/dbraw/zinc/31/77/17/1040317717.db2.gz HQHOBKPGQMOJEZ-LAUBAEHRSA-N 1 0 387.480 3.636 20 30 GHEDRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254666683 1040426884 /nfs/dbraw/zinc/42/68/84/1040426884.db2.gz XLKAJMOQDCVOPI-CTNGQTDRSA-N 1 0 389.547 3.787 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@H+]([C@@H]2CC[C@@H](C#N)C2)C2CCOCC2)CC1 ZINC001254676601 1040432880 /nfs/dbraw/zinc/43/28/80/1040432880.db2.gz MKJNFRGNTYXRLA-SOAMZJECSA-N 1 0 391.556 3.996 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2cccnc2)[C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254678222 1040434507 /nfs/dbraw/zinc/43/45/07/1040434507.db2.gz ZQWSBVRPLVXMJF-RLLQIKCJSA-N 1 0 384.524 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+][C@H]3CC[C@@H](C#N)CC3)CC2)C1 ZINC001254714281 1040472953 /nfs/dbraw/zinc/47/29/53/1040472953.db2.gz BYAWIDDXRSUSFR-JOIKAWEESA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@@H+]3CCC4SC(=O)C=C4C3)C2)CC1 ZINC001254748218 1040508230 /nfs/dbraw/zinc/50/82/30/1040508230.db2.gz HKVOMROKUGPSJD-IRXDYDNUSA-N 1 0 392.565 3.830 20 30 GHEDRO Cn1c(C[NH2+]C2CCN(c3ccccc3C#N)CC2)nc2ccc(Cl)cc21 ZINC001462485255 1070293210 /nfs/dbraw/zinc/29/32/10/1070293210.db2.gz OJOHCISRZTULKZ-UHFFFAOYSA-N 1 0 379.895 3.857 20 30 GHEDRO C[C@@H](CN1CC[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1=O)CC(F)(F)F ZINC001277943982 1040924692 /nfs/dbraw/zinc/92/46/92/1040924692.db2.gz FPHZPFRHCJWVDY-DYVFJYSZSA-N 1 0 385.455 3.633 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(C(=O)OCC)CC1)[C@@H]2CC ZINC001255260476 1040931013 /nfs/dbraw/zinc/93/10/13/1040931013.db2.gz OUWGTDVKCMLEMG-OKYOFGHESA-N 1 0 376.541 3.530 20 30 GHEDRO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235517423 1040972829 /nfs/dbraw/zinc/97/28/29/1040972829.db2.gz KYZUFQLUTKAZQT-UHFFFAOYSA-N 1 0 383.499 3.874 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccccc2CC#N)CC3)cs1 ZINC001235519055 1040973387 /nfs/dbraw/zinc/97/33/87/1040973387.db2.gz QJTPTDWNWKJEEZ-NRFANRHFSA-N 1 0 397.544 3.858 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cccn1C(=O)OC(C)(C)C)C2 ZINC001235631016 1041064218 /nfs/dbraw/zinc/06/42/18/1041064218.db2.gz SEVVNYMBQFVDDC-WIYYLYMNSA-N 1 0 376.497 3.597 20 30 GHEDRO CN1CCC[C@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001255473212 1041073847 /nfs/dbraw/zinc/07/38/47/1041073847.db2.gz PYGJUTIBIGJSHT-AWEZNQCLSA-N 1 0 399.541 3.982 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)CC2 ZINC001235665774 1041118671 /nfs/dbraw/zinc/11/86/71/1041118671.db2.gz MEBQOXOSSLSKQA-IBGZPJMESA-N 1 0 398.425 3.824 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc(OC)c(Cl)c1)CC2 ZINC001235694029 1041171010 /nfs/dbraw/zinc/17/10/10/1041171010.db2.gz KCNLGEAXJFIMCC-UHFFFAOYSA-N 1 0 393.915 3.744 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(F)c(OCC)c3)C2)C1 ZINC001235793380 1041290500 /nfs/dbraw/zinc/29/05/00/1041290500.db2.gz HBEUZURDPZSMTJ-OAQYLSRUSA-N 1 0 376.472 3.835 20 30 GHEDRO CN(C)c1ccc(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)c(F)c1C#N ZINC001236351623 1041678994 /nfs/dbraw/zinc/67/89/94/1041678994.db2.gz BDTQTOOWVDZMEG-SFHVURJKSA-N 1 0 384.474 3.657 20 30 GHEDRO CN(C)c1ccc(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)c(F)c1C#N ZINC001236392057 1041697029 /nfs/dbraw/zinc/69/70/29/1041697029.db2.gz TWSCPGJVYDQHLB-LJQANCHMSA-N 1 0 384.474 3.657 20 30 GHEDRO CCc1cc(C#N)ccc1CN(Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236468095 1041729129 /nfs/dbraw/zinc/72/91/29/1041729129.db2.gz UEOMZJDCQCSWGH-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO N#Cc1cc(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)ccc1F ZINC001236495216 1041739052 /nfs/dbraw/zinc/73/90/52/1041739052.db2.gz OTZGOSFKEMVKNM-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO COc1ccc(CN(Cc2c(F)ccc(C#N)c2F)C2CC[NH2+]CC2)cc1F ZINC001236516904 1041750025 /nfs/dbraw/zinc/75/00/25/1041750025.db2.gz UCJOYAFRXJUFMM-UHFFFAOYSA-N 1 0 389.421 3.738 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)CC2 ZINC001236767410 1041879964 /nfs/dbraw/zinc/87/99/64/1041879964.db2.gz BLSZYLWDJKYLGV-OAQYLSRUSA-N 1 0 390.911 3.660 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(Br)c2)C[C@@H]1c1ccccc1 ZINC001236861842 1041932236 /nfs/dbraw/zinc/93/22/36/1041932236.db2.gz VGUBCTVTRXTVNI-QZTJIDSGSA-N 1 0 399.288 3.709 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1Br ZINC001236861496 1041932346 /nfs/dbraw/zinc/93/23/46/1041932346.db2.gz YPPHZNGZMLVHEB-UXHICEINSA-N 1 0 397.320 3.565 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962075 1041970514 /nfs/dbraw/zinc/97/05/14/1041970514.db2.gz UKCFBDQIUZZDRJ-UHFFFAOYSA-N 1 0 376.342 3.922 20 30 GHEDRO COc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1Cl ZINC001237188245 1042084246 /nfs/dbraw/zinc/08/42/46/1042084246.db2.gz HGPFAAOZNZHIFY-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO COC(=O)c1cc2cc(C[NH+]3CCC(Oc4ccccc4C#N)CC3)ccc2[nH]1 ZINC001237322230 1042146992 /nfs/dbraw/zinc/14/69/92/1042146992.db2.gz ZCNSPPLOYNBFKK-UHFFFAOYSA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355048 1042165323 /nfs/dbraw/zinc/16/53/23/1042165323.db2.gz YYNVHDVKATYUAM-FQEVSTJZSA-N 1 0 382.426 3.960 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC001237373616 1042176807 /nfs/dbraw/zinc/17/68/07/1042176807.db2.gz AEQLTRJIJCESCD-JOCHJYFZSA-N 1 0 381.476 3.952 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c2cc(C#N)ccc21 ZINC001237467653 1042220599 /nfs/dbraw/zinc/22/05/99/1042220599.db2.gz DQAJCRXCGKAPFQ-PXNSSMCTSA-N 1 0 391.544 3.603 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)ccn1 ZINC001237470414 1042221762 /nfs/dbraw/zinc/22/17/62/1042221762.db2.gz PAXIGJYDNKEUHR-UHFFFAOYSA-N 1 0 388.515 3.718 20 30 GHEDRO Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cn(C)c5ccc(C#N)cc45)C3)CC2=O)c1 ZINC001237470276 1042221782 /nfs/dbraw/zinc/22/17/82/1042221782.db2.gz URTZCKXSGKQLPV-RUZDIDTESA-N 1 0 398.510 3.987 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cn(C)c3ccc(C#N)cc13)C2 ZINC001237472615 1042223919 /nfs/dbraw/zinc/22/39/19/1042223919.db2.gz KQRUZRJNUAPXBW-QGZVFWFLSA-N 1 0 375.472 3.839 20 30 GHEDRO Cn1cc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c2cc(C#N)ccc21 ZINC001237472454 1042223941 /nfs/dbraw/zinc/22/39/41/1042223941.db2.gz IOMJYZFQPXAQOM-UHFFFAOYSA-N 1 0 390.462 3.583 20 30 GHEDRO CCOC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001237481988 1042227997 /nfs/dbraw/zinc/22/79/97/1042227997.db2.gz RPTDHVVDLYKQQS-OAQYLSRUSA-N 1 0 378.472 3.707 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(CC(=O)OCC)cc1)[C@H]2CC ZINC001237483108 1042228129 /nfs/dbraw/zinc/22/81/29/1042228129.db2.gz RAEJDMPRHUUGLM-URXFXBBRSA-N 1 0 398.547 3.714 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)c3ccccc3[nH]c1=O)C2 ZINC001237500968 1042238138 /nfs/dbraw/zinc/23/81/38/1042238138.db2.gz NDELWWIVYXMFTD-YCRPNKLZSA-N 1 0 388.895 3.920 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnc(C)c(Br)c1)CC2 ZINC001237551593 1042260971 /nfs/dbraw/zinc/26/09/71/1042260971.db2.gz VPQZHIJBWONQBP-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc3ncnc(Cl)c3c1)CC2 ZINC001237577385 1042270179 /nfs/dbraw/zinc/27/01/79/1042270179.db2.gz RLYBSUADRLAESP-OAQYLSRUSA-N 1 0 384.911 3.816 20 30 GHEDRO Cn1cc(-c2ccc(C3CC[NH+](Cc4cn5cc(C#N)ccc5n4)CC3)cc2)cn1 ZINC001237610076 1042280562 /nfs/dbraw/zinc/28/05/62/1042280562.db2.gz HNAPTLLBFJXQFB-UHFFFAOYSA-N 1 0 396.498 3.986 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(Cl)cc(C#N)c4)C3)CC2=O)c1 ZINC001237756635 1042355871 /nfs/dbraw/zinc/35/58/71/1042355871.db2.gz LUFJHYPPLQNFJI-JOCHJYFZSA-N 1 0 390.874 3.712 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccccc1C1CCOCC1)CC2 ZINC001237901611 1042416176 /nfs/dbraw/zinc/41/61/76/1042416176.db2.gz ONLJSAVBQHEXLV-UHFFFAOYSA-N 1 0 381.520 3.575 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(C4CC4)cnc3OC)C2)C1 ZINC001238034109 1042468197 /nfs/dbraw/zinc/46/81/97/1042468197.db2.gz VMUJJLCBFSPYPC-QFIPXVFZSA-N 1 0 385.508 3.578 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)cs1 ZINC001462622429 1070420712 /nfs/dbraw/zinc/42/07/12/1070420712.db2.gz MSPSDTIKVKRXCY-KRWDZBQOSA-N 1 0 377.307 3.866 20 30 GHEDRO C=CCN1CCN(Cc2c(Br)ccc(Br)c2F)CC1 ZINC001238097678 1042491477 /nfs/dbraw/zinc/49/14/77/1042491477.db2.gz XCTHEPGLPSLCLP-UHFFFAOYSA-N 1 0 392.110 3.654 20 30 GHEDRO COCCOc1ccccc1N1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238196448 1042516293 /nfs/dbraw/zinc/51/62/93/1042516293.db2.gz RVQBURWTLPHIHO-UHFFFAOYSA-N 1 0 385.895 3.559 20 30 GHEDRO COc1cc(C[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)ccc1C#N ZINC001238410301 1042587435 /nfs/dbraw/zinc/58/74/35/1042587435.db2.gz ZLFKFWDCPQHROR-UHFFFAOYSA-N 1 0 390.409 3.693 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(OC)ncc3-c3ccccc3)C2)C1=O ZINC001238602377 1042654041 /nfs/dbraw/zinc/65/40/41/1042654041.db2.gz XFHRYDNRDOSUHN-DEOSSOPVSA-N 1 0 391.515 3.758 20 30 GHEDRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001238608599 1042657092 /nfs/dbraw/zinc/65/70/92/1042657092.db2.gz WJGIPMTUMIUEKK-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(-c4ccccc4)cnc3F)C2)C1=O ZINC001238662715 1042675836 /nfs/dbraw/zinc/67/58/36/1042675836.db2.gz UTJNADKLXJAHNT-HSZRJFAPSA-N 1 0 379.479 3.888 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)cc(N3CCCC3)c1)C2 ZINC001238703079 1042692257 /nfs/dbraw/zinc/69/22/57/1042692257.db2.gz XZOQEDWZYDXYED-GOTSBHOMSA-N 1 0 388.527 4.000 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)ccc1C#N ZINC001238761360 1042718547 /nfs/dbraw/zinc/71/85/47/1042718547.db2.gz BKIBKRUPWUJKQJ-XMMPIXPASA-N 1 0 388.515 3.673 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(OC(C)C)ncc1F)CC2 ZINC001238798845 1042733625 /nfs/dbraw/zinc/73/36/25/1042733625.db2.gz XBFPXDGAMDSEPL-OAQYLSRUSA-N 1 0 375.488 3.541 20 30 GHEDRO Cc1cccc(CN([C@H]2CC[C@H]([NH3+])CC2)S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001239164477 1042777203 /nfs/dbraw/zinc/77/72/03/1042777203.db2.gz JBDMNCFKXPOYQN-MEMLXQNLSA-N 1 0 397.544 3.636 20 30 GHEDRO CCCCCCCNC(=O)N(Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001239301307 1042805273 /nfs/dbraw/zinc/80/52/73/1042805273.db2.gz BZAKBYOJEVIHAB-UHFFFAOYSA-N 1 0 389.540 3.707 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(C#N)c1)CC21CC[NH2+]CC1 ZINC001239362217 1042813260 /nfs/dbraw/zinc/81/32/60/1042813260.db2.gz JCJBCEKQGKFFHE-HXUWFJFHSA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1cccc(NC(=S)NCC2(c3ccccc3Cl)CC[NH2+]CC2)c1 ZINC001239394716 1042821901 /nfs/dbraw/zinc/82/19/01/1042821901.db2.gz GWGISTFNTAUYMT-UHFFFAOYSA-N 1 0 384.936 3.819 20 30 GHEDRO N#Cc1cc(-c2ccc(C(=O)NC3CCCCC3)cc2)ccc1N1CC[NH2+]CC1 ZINC001239916356 1042863007 /nfs/dbraw/zinc/86/30/07/1042863007.db2.gz QTUTYZJMCQKJQC-UHFFFAOYSA-N 1 0 388.515 3.697 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2cccc(CN3CC[NH2+]CC3)c2)n1 ZINC001240232013 1042911447 /nfs/dbraw/zinc/91/14/47/1042911447.db2.gz SINGOBOZEOXYPV-UHFFFAOYSA-N 1 0 392.547 3.867 20 30 GHEDRO CN1CC[NH+](Cc2cccc(-c3ncc(C#N)c4oc(C(C)(C)C)nc43)c2)CC1 ZINC001240287425 1042918768 /nfs/dbraw/zinc/91/87/68/1042918768.db2.gz KGRITBXHXBTJMX-UHFFFAOYSA-N 1 0 389.503 3.806 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(-c3nc4c(c(C#N)c3C#N)CCCCCC4)c2)CC1 ZINC001240294040 1042919026 /nfs/dbraw/zinc/91/90/26/1042919026.db2.gz QIMQWZLTDHTICV-UHFFFAOYSA-N 1 0 399.542 3.898 20 30 GHEDRO N#Cc1cc(-c2ccc3ccn(C(=O)c4ccccc4)c3n2)cc(C2C[NH2+]C2)c1 ZINC001240343173 1042922506 /nfs/dbraw/zinc/92/25/06/1042922506.db2.gz JAPXMZWWRAFRNP-UHFFFAOYSA-N 1 0 378.435 3.950 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCn1c(CC2CC2)nnc1N1CCC(CC#N)CC1 ZINC001291099462 1043079208 /nfs/dbraw/zinc/07/92/08/1043079208.db2.gz IDRDRXVNJFJVQE-GOSISDBHSA-N 1 0 384.572 3.625 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001291124915 1043095582 /nfs/dbraw/zinc/09/55/82/1043095582.db2.gz LQBMLEDEKVWKOD-RTBURBONSA-N 1 0 397.571 3.534 20 30 GHEDRO C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291131395 1043097813 /nfs/dbraw/zinc/09/78/13/1043097813.db2.gz BIYAEBHUEZUHOK-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCC1 ZINC001291153462 1043112597 /nfs/dbraw/zinc/11/25/97/1043112597.db2.gz HEUQOXRFENDNJR-DLBZAZTESA-N 1 0 378.524 3.536 20 30 GHEDRO N#CCc1ccc(OCc2cccc(NC(=O)CC[N@H+]3CC[C@@H](F)C3)c2)cc1 ZINC001291641857 1043370110 /nfs/dbraw/zinc/37/01/10/1043370110.db2.gz UYIWMIYANQLZLT-LJQANCHMSA-N 1 0 381.451 3.704 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCN(Cc4ccccc4)[C@H](C)C3)C2)CC1 ZINC001256536667 1043479879 /nfs/dbraw/zinc/47/98/79/1043479879.db2.gz IMFZFUXQSIVBAP-IRLDBZIGSA-N 1 0 397.563 3.760 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291844701 1043496391 /nfs/dbraw/zinc/49/63/91/1043496391.db2.gz ICRXLDZORAEKDZ-QKNQBKEWSA-N 1 0 394.567 3.900 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256550663 1043513880 /nfs/dbraw/zinc/51/38/80/1043513880.db2.gz NDQRRFLDYUKUJV-IEIRFRATSA-N 1 0 394.563 3.575 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001256793518 1043653849 /nfs/dbraw/zinc/65/38/49/1043653849.db2.gz BREWAQWLZJDETH-XZOQPEGZSA-N 1 0 389.499 3.673 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)cc1 ZINC001256881620 1043718169 /nfs/dbraw/zinc/71/81/69/1043718169.db2.gz LNZCPLDBXAYTFY-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC[NH+]2CCCCC2)cc1 ZINC001292457112 1043743441 /nfs/dbraw/zinc/74/34/41/1043743441.db2.gz CRLQTEXCALZOFK-SFHVURJKSA-N 1 0 380.540 3.589 20 30 GHEDRO N#CC1CCC(NC(=[NH2+])c2nn(Cc3ccccc3F)c3ncccc23)CC1 ZINC001256953216 1043771229 /nfs/dbraw/zinc/77/12/29/1043771229.db2.gz FOCSTCGTHIRCGX-UHFFFAOYSA-N 1 0 376.439 3.616 20 30 GHEDRO N#CC1CCC([NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001256970736 1043777920 /nfs/dbraw/zinc/77/79/20/1043777920.db2.gz CPMHWJBPSYOMEY-UHFFFAOYSA-N 1 0 376.504 3.865 20 30 GHEDRO COc1ccnc(OC2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)n1 ZINC001257023292 1043806729 /nfs/dbraw/zinc/80/67/29/1043806729.db2.gz YGNJOUYNEJLLJU-UHFFFAOYSA-N 1 0 392.503 3.926 20 30 GHEDRO CCOC(=O)c1ccc(C[C@@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)cc1 ZINC001257151373 1043900048 /nfs/dbraw/zinc/90/00/48/1043900048.db2.gz MCVOSZDGPFBYMF-MRXNPFEDSA-N 1 0 375.472 3.995 20 30 GHEDRO C[C@H]1CC([NH+]2CCN(c3ccccc3C#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257582397 1044067133 /nfs/dbraw/zinc/06/71/33/1044067133.db2.gz ACCHKZAAESYDIF-ROUUACIJSA-N 1 0 398.551 3.857 20 30 GHEDRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001293301061 1044098348 /nfs/dbraw/zinc/09/83/48/1044098348.db2.gz FMYZSKKBRWYTMA-BBTUJRGHSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001293364665 1044137701 /nfs/dbraw/zinc/13/77/01/1044137701.db2.gz HGHAYOLHINPPSL-XMSQKQJNSA-N 1 0 395.555 3.668 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001293423601 1044169287 /nfs/dbraw/zinc/16/92/87/1044169287.db2.gz DGXJALCGAJPOEF-PMACEKPBSA-N 1 0 378.524 3.680 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+](CC)CC ZINC001293424837 1044170770 /nfs/dbraw/zinc/17/07/70/1044170770.db2.gz LELJGNJEGQLRLT-HXUWFJFHSA-N 1 0 380.540 3.927 20 30 GHEDRO C=CCCCC[N@@H+](C)C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001257787667 1044171364 /nfs/dbraw/zinc/17/13/64/1044171364.db2.gz QRSHIDUCFRNYSP-YHFFBGSDSA-N 1 0 394.556 3.994 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3CCO[C@]34CCN(C(=O)OC(C)(C)C)C4)C[C@H](C1)C2 ZINC001257887677 1044244817 /nfs/dbraw/zinc/24/48/17/1044244817.db2.gz FCMSMQPPBYXKLG-WBMMFZBISA-N 1 0 376.541 3.879 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3CC4(CN(C(=O)OC(C)(C)C)C4)CO3)C[C@H](C1)C2 ZINC001257887440 1044245095 /nfs/dbraw/zinc/24/50/95/1044245095.db2.gz YDOZJITTXZNHCO-ZZJWQFMZSA-N 1 0 376.541 3.737 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4COC[C@]4(COCc4cccc(C)n4)C3)C[C@H](C1)C2 ZINC001257892356 1044246868 /nfs/dbraw/zinc/24/68/68/1044246868.db2.gz XPPHLBUQQQFTCE-XUVZBXPWSA-N 1 0 382.548 3.990 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)C[C@H](C1)C2 ZINC001257892322 1044247063 /nfs/dbraw/zinc/24/70/63/1044247063.db2.gz XKHBKYPBIWJYLW-QGYNNBPSSA-N 1 0 381.564 3.880 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3CCO[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)C[C@H](C1)C2 ZINC001257891694 1044247893 /nfs/dbraw/zinc/24/78/93/1044247893.db2.gz MXOUQSWFIBCLSY-VYFYYAICSA-N 1 0 376.541 3.832 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCN(CC(=O)Nc4c(C)cccc4C)CC3)C[C@H](C1)C2 ZINC001257893032 1044249455 /nfs/dbraw/zinc/24/94/55/1044249455.db2.gz KUEPJVURTRUUBF-CBQGHPETSA-N 1 0 381.564 3.994 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)CN(C(=O)OC(C)(C)C)CCO4)C[C@H](C1)C2 ZINC001257894387 1044249602 /nfs/dbraw/zinc/24/96/02/1044249602.db2.gz RTCJGDRIHGNIRH-HJKBJPMPSA-N 1 0 376.541 3.833 20 30 GHEDRO C=CCN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001257985014 1044313678 /nfs/dbraw/zinc/31/36/78/1044313678.db2.gz IDGGHJGSGDXRDY-VXKWHMMOSA-N 1 0 399.579 3.801 20 30 GHEDRO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001257985012 1044314140 /nfs/dbraw/zinc/31/41/40/1044314140.db2.gz IDGGHJGSGDXRDY-FGZHOGPDSA-N 1 0 399.579 3.801 20 30 GHEDRO CSc1ccc(C[N@@H+]2CCCC3(CN(Cc4cc(C#N)n(C)c4)C3)C2)s1 ZINC001279077331 1044417267 /nfs/dbraw/zinc/41/72/67/1044417267.db2.gz PZHFCXYTYRMGPW-UHFFFAOYSA-N 1 0 386.590 3.778 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258141944 1044429527 /nfs/dbraw/zinc/42/95/27/1044429527.db2.gz QEHQEUSCYZIXNW-RPWUZVMVSA-N 1 0 384.564 3.520 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@H](C)CCSC)c3ccccc32)cc1 ZINC001258211577 1044472088 /nfs/dbraw/zinc/47/20/88/1044472088.db2.gz KHFHFIXEUPPAHF-OAHLLOKOSA-N 1 0 382.533 3.940 20 30 GHEDRO CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1CC[NH+](CC)CC1 ZINC001294426179 1044619738 /nfs/dbraw/zinc/61/97/38/1044619738.db2.gz TUYVQMROAHDBLQ-UHFFFAOYSA-N 1 0 380.540 3.785 20 30 GHEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258719457 1044732391 /nfs/dbraw/zinc/73/23/91/1044732391.db2.gz DMZCQUOPSLHCGL-AEFFLSMTSA-N 1 0 382.545 3.900 20 30 GHEDRO C=CCC[C@@H](C)[NH2+]CCc1cc(OC)c(I)cc1OC ZINC001258718374 1044732726 /nfs/dbraw/zinc/73/27/26/1044732726.db2.gz MSGIDEVKGFMNAO-GFCCVEGCSA-N 1 0 389.277 3.795 20 30 GHEDRO N#Cc1cc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1F ZINC001259419467 1045139894 /nfs/dbraw/zinc/13/98/94/1045139894.db2.gz AMOMDQDCPNLKFB-UHFFFAOYSA-N 1 0 387.480 3.527 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001297373316 1045504956 /nfs/dbraw/zinc/50/49/56/1045504956.db2.gz RMKLCJCPZULUAA-PGRDOPGGSA-N 1 0 393.572 3.523 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001300939485 1046252281 /nfs/dbraw/zinc/25/22/81/1046252281.db2.gz WNZCGRHURBMGGR-UHFFFAOYSA-N 1 0 388.947 3.880 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001300956313 1046259226 /nfs/dbraw/zinc/25/92/26/1046259226.db2.gz YPDWXGNXMNUGJZ-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001301030803 1046296455 /nfs/dbraw/zinc/29/64/55/1046296455.db2.gz TZFGECRGKOCXRF-UHFFFAOYSA-N 1 0 375.879 3.511 20 30 GHEDRO C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001301040633 1046303016 /nfs/dbraw/zinc/30/30/16/1046303016.db2.gz HTFXMDYKQUOIFT-YJBOKZPZSA-N 1 0 393.963 3.583 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001301077927 1046323647 /nfs/dbraw/zinc/32/36/47/1046323647.db2.gz IIKRCZJSQPTCMK-UHFFFAOYSA-N 1 0 380.540 3.763 20 30 GHEDRO C=C1CCN(c2nnc(COCC)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301097101 1046339604 /nfs/dbraw/zinc/33/96/04/1046339604.db2.gz OMWOLBYRUICJMC-PMACEKPBSA-N 1 0 389.588 3.729 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001301120053 1046356342 /nfs/dbraw/zinc/35/63/42/1046356342.db2.gz GDPRDKYYTWBVFO-PMACEKPBSA-N 1 0 389.588 3.898 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CC=CCC2)CC1 ZINC001301127314 1046360842 /nfs/dbraw/zinc/36/08/42/1046360842.db2.gz IYCQQSSTRRQJIW-UHFFFAOYSA-N 1 0 395.526 3.672 20 30 GHEDRO C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001301206989 1046403888 /nfs/dbraw/zinc/40/38/88/1046403888.db2.gz MTQAHBQCILXWDD-IAGOWNOFSA-N 1 0 398.511 3.738 20 30 GHEDRO C=CCCCn1c(-c2cccc(C)n2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001301218383 1046411081 /nfs/dbraw/zinc/41/10/81/1046411081.db2.gz NVAWCCKQZHIBNS-UHFFFAOYSA-N 1 0 382.556 3.925 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262930257 1046428375 /nfs/dbraw/zinc/42/83/75/1046428375.db2.gz JJOGGHHMIIWREC-UHFFFAOYSA-N 1 0 375.586 3.529 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001262944163 1046440473 /nfs/dbraw/zinc/44/04/73/1046440473.db2.gz JIPHUMGSBVNNDF-UXHICEINSA-N 1 0 392.551 3.972 20 30 GHEDRO C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCCCCC1 ZINC001301305657 1046467851 /nfs/dbraw/zinc/46/78/51/1046467851.db2.gz KACQYMNUVOLIEX-UHFFFAOYSA-N 1 0 392.551 3.848 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CCS[C@@H](C(C)C)C1)C(C)C ZINC001301366428 1046511146 /nfs/dbraw/zinc/51/11/46/1046511146.db2.gz CAIXXTIJDPXJJA-VQTJNVASSA-N 1 0 391.629 3.863 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001301384297 1046519333 /nfs/dbraw/zinc/51/93/33/1046519333.db2.gz OQPHKBZEKBXLNL-HXUWFJFHSA-N 1 0 394.567 3.887 20 30 GHEDRO C=CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001301435891 1046544436 /nfs/dbraw/zinc/54/44/36/1046544436.db2.gz ZBUINGMDZWYILA-UHFFFAOYSA-N 1 0 395.551 3.842 20 30 GHEDRO C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001301530427 1046583672 /nfs/dbraw/zinc/58/36/72/1046583672.db2.gz UIRUFBIBVJZPEQ-UHFFFAOYSA-N 1 0 397.567 3.935 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001301555735 1046595812 /nfs/dbraw/zinc/59/58/12/1046595812.db2.gz DCOCSYOBUDGVCV-MOPGFXCFSA-N 1 0 389.588 3.522 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 ZINC001301634465 1046633981 /nfs/dbraw/zinc/63/39/81/1046633981.db2.gz YFUARFDVAWQPQT-UHFFFAOYSA-N 1 0 376.504 3.727 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001263308086 1046705272 /nfs/dbraw/zinc/70/52/72/1046705272.db2.gz ULSYJIGKUDXUGA-UHFFFAOYSA-N 1 0 378.524 3.554 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001301965160 1046764879 /nfs/dbraw/zinc/76/48/79/1046764879.db2.gz HVMZQLYCZNAJKD-FXAWDEMLSA-N 1 0 380.540 3.834 20 30 GHEDRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001302820599 1047122598 /nfs/dbraw/zinc/12/25/98/1047122598.db2.gz QVVRVSGABAELET-GOSISDBHSA-N 1 0 388.604 3.973 20 30 GHEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001303090610 1047276532 /nfs/dbraw/zinc/27/65/32/1047276532.db2.gz YWMKCRWYZFROOX-GOSISDBHSA-N 1 0 397.571 3.627 20 30 GHEDRO C#Cc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001264331422 1047318846 /nfs/dbraw/zinc/31/88/46/1047318846.db2.gz UYHQSSANOHKINI-NHCUHLMSSA-N 1 0 387.508 3.979 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001303276882 1047339340 /nfs/dbraw/zinc/33/93/40/1047339340.db2.gz LEDACWGEPWTDAP-UHFFFAOYSA-N 1 0 394.567 3.534 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000594989846 1047385181 /nfs/dbraw/zinc/38/51/81/1047385181.db2.gz ZARKHPJMTCRIPE-QHCPKHFHSA-N 1 0 375.516 3.994 20 30 GHEDRO C[C@@H](Cn1c(C2CC2)nnc1N1CCC(CC#N)CC1)[N@H+](C)Cc1ccccc1 ZINC001303707799 1047489411 /nfs/dbraw/zinc/48/94/11/1047489411.db2.gz JYOUBXIOERLQKB-SFHVURJKSA-N 1 0 392.551 3.806 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC1)C[NH+]1CCCC1 ZINC001303744420 1047502544 /nfs/dbraw/zinc/50/25/44/1047502544.db2.gz CGZNTQUFNVJRDZ-QGZVFWFLSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCCCCCCC[N@@H+]1C[C@@H]2OCCN(C(=O)Cc3ccsc3)[C@H]2C1 ZINC001279271056 1047752813 /nfs/dbraw/zinc/75/28/13/1047752813.db2.gz MPRDNMWDXJRUAC-PMACEKPBSA-N 1 0 376.566 3.729 20 30 GHEDRO C[C@@H]1C[C@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001304916963 1047806357 /nfs/dbraw/zinc/80/63/57/1047806357.db2.gz BXRBUYBWQQXUBH-HDICACEKSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304985597 1047829326 /nfs/dbraw/zinc/82/93/26/1047829326.db2.gz WBHLZUKZOQTKRP-KGVIQGDOSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304985591 1047829511 /nfs/dbraw/zinc/82/95/11/1047829511.db2.gz WBHLZUKZOQTKRP-FGSXEWAUSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(C3CC3)nnc2N(CCC#N)CC2CC2)C1 ZINC001305021846 1047839202 /nfs/dbraw/zinc/83/92/02/1047839202.db2.gz IDMDKVWCANCYFR-QGZVFWFLSA-N 1 0 384.572 3.796 20 30 GHEDRO CSCCC[NH+]1CC2(C[C@@H]2C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280279305 1048159360 /nfs/dbraw/zinc/15/93/60/1048159360.db2.gz VBXXNLDXBMOMNS-OAHLLOKOSA-N 1 0 375.563 3.512 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CCC[C@@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)CCC1 ZINC001280311022 1048173881 /nfs/dbraw/zinc/17/38/81/1048173881.db2.gz RNYWSOQFFAGUGA-YJBOKZPZSA-N 1 0 377.941 3.956 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001286288382 1048256210 /nfs/dbraw/zinc/25/62/10/1048256210.db2.gz SLALEMHNXYFOIE-SFHVURJKSA-N 1 0 390.535 3.621 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001286295859 1048260672 /nfs/dbraw/zinc/26/06/72/1048260672.db2.gz KEWHRKFEHSRSRG-RBUKOAKNSA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286327918 1048274286 /nfs/dbraw/zinc/27/42/86/1048274286.db2.gz KUPLUWACHSTHHH-MOPGFXCFSA-N 1 0 397.542 3.730 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305920502 1048312732 /nfs/dbraw/zinc/31/27/32/1048312732.db2.gz IPTHOCACSBJKGO-ZWKOTPCHSA-N 1 0 382.556 3.834 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001305921763 1048313469 /nfs/dbraw/zinc/31/34/69/1048313469.db2.gz WASVHRDPTTXRGC-SJORKVTESA-N 1 0 380.540 3.729 20 30 GHEDRO C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](CC(C)C)[NH+](C)C ZINC001286442840 1048325709 /nfs/dbraw/zinc/32/57/09/1048325709.db2.gz OJVBJIKPAIGBIS-SFHVURJKSA-N 1 0 392.551 3.862 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286519861 1048345872 /nfs/dbraw/zinc/34/58/72/1048345872.db2.gz NDIUXVVGECAOOU-DNVFCKCGSA-N 1 0 394.567 3.633 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286623222 1048393470 /nfs/dbraw/zinc/39/34/70/1048393470.db2.gz QORMZHFBJBUIPK-UHFFFAOYSA-N 1 0 398.942 3.880 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001286647844 1048415370 /nfs/dbraw/zinc/41/53/70/1048415370.db2.gz MPEQBSHBWZOYFE-OAQYLSRUSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+](C)CCOC)CC1 ZINC001286656579 1048425200 /nfs/dbraw/zinc/42/52/00/1048425200.db2.gz ZQKKFIFBXKFHKG-UHFFFAOYSA-N 1 0 397.567 3.624 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286662482 1048428004 /nfs/dbraw/zinc/42/80/04/1048428004.db2.gz MOUYBPICUIFKHN-LJQANCHMSA-N 1 0 385.581 3.673 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001286670381 1048435329 /nfs/dbraw/zinc/43/53/29/1048435329.db2.gz HIWSRNDWFHYPEV-UHFFFAOYSA-N 1 0 394.567 3.925 20 30 GHEDRO CCc1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001306115650 1048439352 /nfs/dbraw/zinc/43/93/52/1048439352.db2.gz VHIZKVXSMUJELO-SFHVURJKSA-N 1 0 386.569 3.725 20 30 GHEDRO C=CCCCn1c(C(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001286693658 1048454158 /nfs/dbraw/zinc/45/41/58/1048454158.db2.gz XCYRMBQNJJETFT-UHFFFAOYSA-N 1 0 397.571 3.916 20 30 GHEDRO C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286699158 1048459841 /nfs/dbraw/zinc/45/98/41/1048459841.db2.gz PJDSWPGTTXENNP-HXUWFJFHSA-N 1 0 387.572 3.941 20 30 GHEDRO C=CCCCn1c(CCc2ccccc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001286703837 1048462245 /nfs/dbraw/zinc/46/22/45/1048462245.db2.gz TUVZWHFHDRECOV-NRFANRHFSA-N 1 0 379.552 3.704 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)CC)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286715573 1048471848 /nfs/dbraw/zinc/47/18/48/1048471848.db2.gz LLEYLJCJBFQUGH-PMACEKPBSA-N 1 0 396.583 3.625 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286723911 1048481103 /nfs/dbraw/zinc/48/11/03/1048481103.db2.gz BJIVOVGTSUQZFL-UHFFFAOYSA-N 1 0 385.531 3.752 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001286755338 1048508282 /nfs/dbraw/zinc/50/82/82/1048508282.db2.gz VICTWPZHQIDFCM-GOSISDBHSA-N 1 0 390.535 3.947 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001286800808 1048529605 /nfs/dbraw/zinc/52/96/05/1048529605.db2.gz REACLWASCCDDFA-TYPHKJRUSA-N 1 0 397.567 3.876 20 30 GHEDRO CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001287611674 1048849285 /nfs/dbraw/zinc/84/92/85/1048849285.db2.gz RMPYINPDMCSCHC-OAQYLSRUSA-N 1 0 392.551 3.927 20 30 GHEDRO COC(=O)c1ccc(NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c(C#N)n1 ZINC001306939747 1048969342 /nfs/dbraw/zinc/96/93/42/1048969342.db2.gz IDZYTRCZCNAPPV-OAQYLSRUSA-N 1 0 378.476 3.625 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001307177556 1049121162 /nfs/dbraw/zinc/12/11/62/1049121162.db2.gz UZNFBLMPWTZJSP-UHFFFAOYSA-N 1 0 379.464 3.763 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001288691525 1049200499 /nfs/dbraw/zinc/20/04/99/1049200499.db2.gz YOYCKYOEWKRLRD-QRVBRYPASA-N 1 0 392.551 3.641 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1C)C[NH+]1CCCCC1 ZINC001288697681 1049202196 /nfs/dbraw/zinc/20/21/96/1049202196.db2.gz DQTGVQCZPYHFMR-RTBURBONSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001288698141 1049203180 /nfs/dbraw/zinc/20/31/80/1049203180.db2.gz JJNVXDVDYNMPQY-ZWKOTPCHSA-N 1 0 398.530 3.945 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CC#N)C[NH+]1CCCCC1 ZINC001288698140 1049203418 /nfs/dbraw/zinc/20/34/18/1049203418.db2.gz JJNVXDVDYNMPQY-ROUUACIJSA-N 1 0 398.530 3.945 20 30 GHEDRO CO[C@@H](C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccc(F)cc1 ZINC001307451870 1049287467 /nfs/dbraw/zinc/28/74/67/1049287467.db2.gz UFKYGGKHWJJEOF-QFIPXVFZSA-N 1 0 390.462 3.755 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](c2cccc(F)c2)C(C)(C)C)c1 ZINC001307612219 1049450216 /nfs/dbraw/zinc/45/02/16/1049450216.db2.gz HCCKGVHOLGDAKF-HXUWFJFHSA-N 1 0 381.451 3.832 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](C[C@@H](O)c3cccc(C#N)c3)C2)CC1 ZINC001307684173 1049504739 /nfs/dbraw/zinc/50/47/39/1049504739.db2.gz SMQMWPNKHARHSL-HXUWFJFHSA-N 1 0 399.535 3.705 20 30 GHEDRO C[C@H]1CN(c2cccc(C[N@H+](C)CCCCC3(C#N)CCC3)c2)S(=O)(=O)C1 ZINC001307727384 1049540804 /nfs/dbraw/zinc/54/08/04/1049540804.db2.gz HITQWKQMWKJBNP-SFHVURJKSA-N 1 0 389.565 3.768 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001289585239 1049550105 /nfs/dbraw/zinc/55/01/05/1049550105.db2.gz RNPZIZGSUIWRQC-GCJKJVERSA-N 1 0 398.555 3.953 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[C@@H](C)[C@H]1OC ZINC001307746962 1049559612 /nfs/dbraw/zinc/55/96/12/1049559612.db2.gz VXZPEYCUGNUHQR-QEJWNPGDSA-N 1 0 377.573 3.735 20 30 GHEDRO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001307810562 1049607404 /nfs/dbraw/zinc/60/74/04/1049607404.db2.gz CKLIHYBOPJNSDS-QFIPXVFZSA-N 1 0 379.504 3.757 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001289909147 1049676895 /nfs/dbraw/zinc/67/68/95/1049676895.db2.gz MDIGKNZRUKWVKD-IEBWSBKVSA-N 1 0 395.555 3.507 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC3(CCc4ccccc4C3)CC2)cc1 ZINC001307902103 1049679704 /nfs/dbraw/zinc/67/97/04/1049679704.db2.gz SDMDGUOZNXKVPU-HSZRJFAPSA-N 1 0 390.527 3.763 20 30 GHEDRO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307902087 1049679892 /nfs/dbraw/zinc/67/98/92/1049679892.db2.gz QIYLMGKJNUMIJQ-VQTJNVASSA-N 1 0 397.519 3.640 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001307949718 1049716890 /nfs/dbraw/zinc/71/68/90/1049716890.db2.gz JJRAWRUXTKARJW-AEGPPILISA-N 1 0 393.409 3.562 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCC[NH+]1CCCCC1 ZINC001290145226 1049745494 /nfs/dbraw/zinc/74/54/94/1049745494.db2.gz IGWIHOWTIUORJJ-FQEVSTJZSA-N 1 0 394.567 3.792 20 30 GHEDRO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC001308006857 1049756661 /nfs/dbraw/zinc/75/66/61/1049756661.db2.gz SJESZTFJZUZDLO-FXAWDEMLSA-N 1 0 394.918 3.947 20 30 GHEDRO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC001308009886 1049758818 /nfs/dbraw/zinc/75/88/18/1049758818.db2.gz GKYBHJCFVMJQFJ-YLJYHZDGSA-N 1 0 394.918 3.947 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](CC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C1 ZINC001308070032 1049816735 /nfs/dbraw/zinc/81/67/35/1049816735.db2.gz YITXPLPYINIUED-REWPJTCUSA-N 1 0 396.556 3.750 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001308102532 1049848508 /nfs/dbraw/zinc/84/85/08/1049848508.db2.gz HNLUJFGAZRZOBK-IEBWSBKVSA-N 1 0 387.499 3.599 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 ZINC001290587928 1049883795 /nfs/dbraw/zinc/88/37/95/1049883795.db2.gz ZRWGPWKLFMMLOM-SFHVURJKSA-N 1 0 379.504 3.853 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1c1cnccn1 ZINC001308175163 1049901396 /nfs/dbraw/zinc/90/13/96/1049901396.db2.gz XGMXBOSSVKIWJI-OAQYLSRUSA-N 1 0 397.526 3.887 20 30 GHEDRO N#Cc1ccc(NCC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)nc1 ZINC001308192328 1049907213 /nfs/dbraw/zinc/90/72/13/1049907213.db2.gz BMIZKQORMAYVPJ-UHFFFAOYSA-N 1 0 399.214 3.936 20 30 GHEDRO C=C[C@H](C)[NH2+]Cc1cc(I)c(Br)cc1F ZINC001308328702 1049949856 /nfs/dbraw/zinc/94/98/56/1049949856.db2.gz KEJOHXXNIYRSDY-ZETCQYMHSA-N 1 0 384.030 3.857 20 30 GHEDRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(C#N)c(C)c2)cc1Br ZINC001308409118 1049969799 /nfs/dbraw/zinc/96/97/99/1049969799.db2.gz VWQQBXGKTNLOAI-SFHVURJKSA-N 1 0 387.321 3.878 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](CO)Cc3ccoc3)c2)c1 ZINC001308503272 1049992424 /nfs/dbraw/zinc/99/24/24/1049992424.db2.gz QRUMCMZKZJFZCA-QFIPXVFZSA-N 1 0 376.456 3.671 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC(Sc4ccccc4)C3)C2=O)cc1 ZINC001308733174 1050074881 /nfs/dbraw/zinc/07/48/81/1050074881.db2.gz XUMJUZLMXVWIRP-DQVLVPHSSA-N 1 0 377.513 3.572 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001308823411 1050107777 /nfs/dbraw/zinc/10/77/77/1050107777.db2.gz CSDKBNXLDMZQBB-KZNAEPCWSA-N 1 0 391.537 3.514 20 30 GHEDRO Cc1cc(Br)c(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)s1 ZINC001327385840 1050172689 /nfs/dbraw/zinc/17/26/89/1050172689.db2.gz GHIIJIHKTARZAX-UHFFFAOYSA-N 1 0 378.295 3.809 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001308962616 1050223082 /nfs/dbraw/zinc/22/30/82/1050223082.db2.gz LSFANTCQZLICDB-WMZOPIPTSA-N 1 0 386.540 3.607 20 30 GHEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001327975159 1050343108 /nfs/dbraw/zinc/34/31/08/1050343108.db2.gz GBCDWUPIKUSTPU-CQSZACIVSA-N 1 0 386.293 3.870 20 30 GHEDRO C=C[C@@H](COC)NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001328123018 1050402128 /nfs/dbraw/zinc/40/21/28/1050402128.db2.gz VUEGBELIKSGZMH-SFTDATJTSA-N 1 0 385.552 3.520 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC001330591206 1051034884 /nfs/dbraw/zinc/03/48/84/1051034884.db2.gz TXORGTQGFRLWTO-KRWDZBQOSA-N 1 0 377.473 3.516 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC001310114514 1051164131 /nfs/dbraw/zinc/16/41/31/1051164131.db2.gz PUGZDIFYHVLXTN-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](C[C@H](O)CC3(C#N)CCC3)C2)CC1 ZINC001331251970 1051227541 /nfs/dbraw/zinc/22/75/41/1051227541.db2.gz FOXFOLDTXOTHGQ-GOSISDBHSA-N 1 0 391.556 3.544 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC001310238323 1051242792 /nfs/dbraw/zinc/24/27/92/1051242792.db2.gz VKFSZFQWTBLUPO-UHFFFAOYSA-N 1 0 388.562 3.988 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)CCc2cccc(C#N)c2)cc1 ZINC001310276124 1051265609 /nfs/dbraw/zinc/26/56/09/1051265609.db2.gz HGTPWUNEQYHUGI-UHFFFAOYSA-N 1 0 394.519 3.985 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3csc(C#N)c3)cc2)C[C@H](C)O1 ZINC001332280557 1051497182 /nfs/dbraw/zinc/49/71/82/1051497182.db2.gz QJTIMQCJPVPKQM-IYBDPMFKSA-N 1 0 383.517 3.501 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)C[C@@H]2C1 ZINC001333929756 1051871555 /nfs/dbraw/zinc/87/15/55/1051871555.db2.gz HYKSGCHATWKTQN-GBESFXJTSA-N 1 0 393.487 3.533 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001311182803 1051926401 /nfs/dbraw/zinc/92/64/01/1051926401.db2.gz ZVUDOBHOQLPEIW-UHFFFAOYSA-N 1 0 380.467 3.834 20 30 GHEDRO C#CCC1(NC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCOCC1 ZINC001311360734 1052057238 /nfs/dbraw/zinc/05/72/38/1052057238.db2.gz VMAOCVMFFVATNQ-BGYRXZFFSA-N 1 0 397.563 3.536 20 30 GHEDRO C#CCC1(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCOCC1 ZINC001311360736 1052057583 /nfs/dbraw/zinc/05/75/83/1052057583.db2.gz VMAOCVMFFVATNQ-WOJBJXKFSA-N 1 0 397.563 3.536 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)ccc1OC ZINC001335468798 1052111586 /nfs/dbraw/zinc/11/15/86/1052111586.db2.gz WARLJAUREMWONK-GOSISDBHSA-N 1 0 382.460 3.761 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001335634212 1052142561 /nfs/dbraw/zinc/14/25/61/1052142561.db2.gz UXLRTBDSCXVRGT-INMHGKMJSA-N 1 0 390.578 3.640 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1C#N ZINC001311809842 1052412605 /nfs/dbraw/zinc/41/26/05/1052412605.db2.gz NNBCAKAESKJTPC-SFHVURJKSA-N 1 0 398.532 3.818 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001312073945 1052558458 /nfs/dbraw/zinc/55/84/58/1052558458.db2.gz SQAJANXTCAOWOY-JOCHJYFZSA-N 1 0 378.520 3.859 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001312180153 1052620147 /nfs/dbraw/zinc/62/01/47/1052620147.db2.gz XWDYMYMNBZZVSA-UHFFFAOYSA-N 1 0 385.552 3.667 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001312599476 1052806412 /nfs/dbraw/zinc/80/64/12/1052806412.db2.gz OEZUOSWPZKIHDU-NRFANRHFSA-N 1 0 382.552 3.976 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC001312651871 1052826742 /nfs/dbraw/zinc/82/67/42/1052826742.db2.gz SXPVNEOAIPUMNZ-OAQYLSRUSA-N 1 0 394.519 3.839 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H](C)C[N@@H+](C)CCCC)c1ccc(Br)cc1 ZINC001312796595 1052873409 /nfs/dbraw/zinc/87/34/09/1052873409.db2.gz HAYOYNUOEJZERB-PBHICJAKSA-N 1 0 380.330 3.543 20 30 GHEDRO CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001313562768 1053098651 /nfs/dbraw/zinc/09/86/51/1053098651.db2.gz GDYQWUZFGVXTJE-KRWDZBQOSA-N 1 0 380.521 3.637 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001342354710 1053125043 /nfs/dbraw/zinc/12/50/43/1053125043.db2.gz KCFAVUKRIGQHIR-MOPGFXCFSA-N 1 0 395.551 3.666 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001342382067 1053139302 /nfs/dbraw/zinc/13/93/02/1053139302.db2.gz XLOWUIRMOFIWLS-UHFFFAOYSA-N 1 0 386.544 3.766 20 30 GHEDRO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2CC=C)C1 ZINC001342455992 1053179417 /nfs/dbraw/zinc/17/94/17/1053179417.db2.gz SZJNGCRXRMNMCK-QUCCMNQESA-N 1 0 385.556 3.573 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001313712258 1053184658 /nfs/dbraw/zinc/18/46/58/1053184658.db2.gz MLKBQAYCAQNVMP-MSOLQXFVSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001313714651 1053187041 /nfs/dbraw/zinc/18/70/41/1053187041.db2.gz MYJFUKIAPGDBSW-BGYRXZFFSA-N 1 0 392.551 3.641 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CC#N)C1CC1 ZINC001313808106 1053240442 /nfs/dbraw/zinc/24/04/42/1053240442.db2.gz KQITVUMZRMVYGI-HNNXBMFYSA-N 1 0 386.931 3.821 20 30 GHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC1(C)C)C1CC1 ZINC001313807386 1053241288 /nfs/dbraw/zinc/24/12/88/1053241288.db2.gz LRJGUSAZDXVGAX-UHFFFAOYSA-N 1 0 378.524 3.680 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)OCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342826389 1053376922 /nfs/dbraw/zinc/37/69/22/1053376922.db2.gz CZLDIHWDSFKWET-LJQANCHMSA-N 1 0 375.561 3.797 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(COC)o2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342842000 1053386337 /nfs/dbraw/zinc/38/63/37/1053386337.db2.gz UUDDGZVPGZSCAS-UHFFFAOYSA-N 1 0 387.528 3.571 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCCC1)C1CCC1 ZINC001314683087 1053561569 /nfs/dbraw/zinc/56/15/69/1053561569.db2.gz FYLOOVRWOADSPW-UHFFFAOYSA-N 1 0 378.524 3.681 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001314730265 1053580270 /nfs/dbraw/zinc/58/02/70/1053580270.db2.gz UACXZBMELRJTKT-UHFFFAOYSA-N 1 0 394.567 3.960 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@](C)(CC)C1 ZINC001343233772 1053638840 /nfs/dbraw/zinc/63/88/40/1053638840.db2.gz ONQKDUAHWGYVMQ-SIKLNZKXSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001343286060 1053678160 /nfs/dbraw/zinc/67/81/60/1053678160.db2.gz CPIMQRCJQHTHIQ-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[NH+]2CCCCC2)c1 ZINC001315552644 1053850190 /nfs/dbraw/zinc/85/01/90/1053850190.db2.gz UDIRDQSNXUCPIY-SFHVURJKSA-N 1 0 396.539 3.568 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CN(C(C)C)CCO2)n1Cc1cccs1 ZINC001343650762 1053948814 /nfs/dbraw/zinc/94/88/14/1053948814.db2.gz IZMUIFBSGBQIDU-SFHVURJKSA-N 1 0 389.569 3.572 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001343652778 1053950441 /nfs/dbraw/zinc/95/04/41/1053950441.db2.gz FDTBVMMVQZRGEK-IRXDYDNUSA-N 1 0 381.515 3.753 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(OCC#N)c2)c(OCc2cccnc2)c1 ZINC001343794880 1054032432 /nfs/dbraw/zinc/03/24/32/1054032432.db2.gz QYOAPOPREYCIJY-UHFFFAOYSA-N 1 0 389.455 3.861 20 30 GHEDRO N#CCCN(CC1CC1)c1nnc(-c2ccccc2F)n1CC[NH+]1CCCCC1 ZINC001316536003 1054218668 /nfs/dbraw/zinc/21/86/68/1054218668.db2.gz AHJXSOHLHRCGHS-UHFFFAOYSA-N 1 0 396.514 3.700 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1 ZINC001318120665 1054426939 /nfs/dbraw/zinc/42/69/39/1054426939.db2.gz ODABKZQVROCXQU-VMTJQQBPSA-N 1 0 379.504 3.962 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CCCC#N)n2CCc2ccccc2)[C@H](C)C1 ZINC001344481090 1054509302 /nfs/dbraw/zinc/50/93/02/1054509302.db2.gz DDOFEZLMXAOQIU-CTNGQTDRSA-N 1 0 394.567 3.534 20 30 GHEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001320132422 1055667427 /nfs/dbraw/zinc/66/74/27/1055667427.db2.gz XCDUZMRPFUTXDI-ATZDWAIDSA-N 1 0 375.472 3.906 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(CNc3nc(C(C)(C)C)ccc3C#N)c2)CC1 ZINC001320273980 1055735177 /nfs/dbraw/zinc/73/51/77/1055735177.db2.gz CLOWBEFSHGBAAU-UHFFFAOYSA-N 1 0 377.536 3.610 20 30 GHEDRO C=C[C@H](COC)[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC001320428080 1055799054 /nfs/dbraw/zinc/79/90/54/1055799054.db2.gz RHYBVYNADQHKPN-CZUORRHYSA-N 1 0 376.522 3.911 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)N2CCOCC2)cc1 ZINC001320561942 1055883259 /nfs/dbraw/zinc/88/32/59/1055883259.db2.gz LMEDXVWYPBOPHL-NSQNTRMNSA-N 1 0 375.516 3.582 20 30 GHEDRO C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001300476144 1056231013 /nfs/dbraw/zinc/23/10/13/1056231013.db2.gz GNESGUGBLOYIBT-LJQANCHMSA-N 1 0 397.592 3.680 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+](C)C)CCC1 ZINC001300561317 1056479987 /nfs/dbraw/zinc/47/99/87/1056479987.db2.gz NSVMENYBDUDTRX-UHFFFAOYSA-N 1 0 395.938 3.546 20 30 GHEDRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]C[C@H](O)CC#N ZINC001354603401 1056806197 /nfs/dbraw/zinc/80/61/97/1056806197.db2.gz ISJTTWMVIPZLCZ-IINYFYTJSA-N 1 0 380.311 3.806 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001300779805 1057016487 /nfs/dbraw/zinc/01/64/87/1057016487.db2.gz GSJSVIMHTGNSEJ-NZQKXSOJSA-N 1 0 395.551 3.705 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC001324333468 1057113400 /nfs/dbraw/zinc/11/34/00/1057113400.db2.gz BNUSROXZUAUQSQ-UHFFFAOYSA-N 1 0 387.527 3.681 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)Nc2ccc(OCC#N)cc2)[NH+](C)C)cc1 ZINC001324579642 1057169276 /nfs/dbraw/zinc/16/92/76/1057169276.db2.gz AJEWTAHYHRIFRT-IBGZPJMESA-N 1 0 384.505 3.735 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001355826992 1057287058 /nfs/dbraw/zinc/28/70/58/1057287058.db2.gz VVFNTUMBJJVUNK-UHFFFAOYSA-N 1 0 377.602 3.631 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001355990269 1057346720 /nfs/dbraw/zinc/34/67/20/1057346720.db2.gz JIZSSMCVJOBLGO-HXUWFJFHSA-N 1 0 381.524 3.711 20 30 GHEDRO C=CCn1c([C@@H](CC(C)C)n2ccnc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001356096073 1057388234 /nfs/dbraw/zinc/38/82/34/1057388234.db2.gz ZKMDJQYDGXUJTC-HXUWFJFHSA-N 1 0 399.587 3.607 20 30 GHEDRO N#CC1(C[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CCOCC1 ZINC001356558041 1057548725 /nfs/dbraw/zinc/54/87/25/1057548725.db2.gz QOFMQJUUMSOTMD-UHFFFAOYSA-N 1 0 379.460 3.717 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001356578333 1057555735 /nfs/dbraw/zinc/55/57/35/1057555735.db2.gz MMZOJZLWKMOUGE-LEWJYISDSA-N 1 0 396.583 3.820 20 30 GHEDRO COc1ccc([C@H](CNC(=[NH+]Cc2ccccc2)N(C)C)N2CCCC2)cc1 ZINC000849054119 1057565697 /nfs/dbraw/zinc/56/56/97/1057565697.db2.gz HJEZVAVOJGXEMJ-QFIPXVFZSA-N 1 0 380.536 3.540 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cccc(NC(=O)COC)c1 ZINC000849061523 1057572697 /nfs/dbraw/zinc/57/26/97/1057572697.db2.gz KHVLIIDMRJCTSC-UHFFFAOYSA-N 1 0 396.535 3.615 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001356619137 1057574468 /nfs/dbraw/zinc/57/44/68/1057574468.db2.gz XEYMDPJXEMEOSQ-PZJWPPBQSA-N 1 0 392.551 3.972 20 30 GHEDRO COc1cccc(C[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC001357128026 1057610354 /nfs/dbraw/zinc/61/03/54/1057610354.db2.gz CRALMAQDPSQLBT-LJQANCHMSA-N 1 0 393.531 3.726 20 30 GHEDRO Cn1c([C@H]2CCCCN2Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001338394820 1058546514 /nfs/dbraw/zinc/54/65/14/1058546514.db2.gz NGNNIKMIOWXTLS-JOCHJYFZSA-N 1 0 398.514 3.934 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001338736327 1058755822 /nfs/dbraw/zinc/75/58/22/1058755822.db2.gz WHTAURULCPNIBO-LJQANCHMSA-N 1 0 384.572 3.649 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC001441350108 1058758422 /nfs/dbraw/zinc/75/84/22/1058758422.db2.gz DTMWJXNVIGOULW-GFCCVEGCSA-N 1 0 388.002 3.687 20 30 GHEDRO C=CCn1c([C@H]2CCCN2Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001338920285 1058881918 /nfs/dbraw/zinc/88/19/18/1058881918.db2.gz ARSQRUHNRBWIOA-OAQYLSRUSA-N 1 0 390.535 3.931 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2OCCCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001338946593 1058901219 /nfs/dbraw/zinc/90/12/19/1058901219.db2.gz SNDOUDDJJBHBSE-RBUKOAKNSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001339220012 1059018322 /nfs/dbraw/zinc/01/83/22/1059018322.db2.gz VZOXBLABIGEVBZ-SFHVURJKSA-N 1 0 397.571 3.504 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001339250008 1059039683 /nfs/dbraw/zinc/03/96/83/1059039683.db2.gz LHCLWKNODQQCEY-KVMCETHSSA-N 1 0 391.510 3.505 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 ZINC001443536637 1059146549 /nfs/dbraw/zinc/14/65/49/1059146549.db2.gz WVBWDHHECAWJOV-UHFFFAOYSA-N 1 0 391.519 3.560 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC001339483479 1059245377 /nfs/dbraw/zinc/24/53/77/1059245377.db2.gz JDHHTDMNLRFGGE-PKOBYXMFSA-N 1 0 381.524 3.623 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC001444935449 1059415420 /nfs/dbraw/zinc/41/54/20/1059415420.db2.gz XLEYQRSGMQOGHX-QFIPXVFZSA-N 1 0 375.516 3.882 20 30 GHEDRO C=CCn1c(-c2scnc2CC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001339919246 1059558040 /nfs/dbraw/zinc/55/80/40/1059558040.db2.gz XSUDMTWJNPWZPS-MAUKXSAKSA-N 1 0 398.580 3.603 20 30 GHEDRO CCn1c(N2CCC(CC#N)CC2)nnc1[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001340186604 1059749308 /nfs/dbraw/zinc/74/93/08/1059749308.db2.gz WPLWAFOHHWQEBQ-HSZRJFAPSA-N 1 0 392.551 3.592 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001340412013 1059917740 /nfs/dbraw/zinc/91/77/40/1059917740.db2.gz SZMRNVUFBGNWBR-OEWRPIJISA-N 1 0 392.503 3.867 20 30 GHEDRO CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001545996716 1059972809 /nfs/dbraw/zinc/97/28/09/1059972809.db2.gz CJVONLCNVYLWEO-FPOVZHCZSA-N 1 0 394.567 3.790 20 30 GHEDRO C=C(CCC(=O)OC)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC001447558482 1059981379 /nfs/dbraw/zinc/98/13/79/1059981379.db2.gz MXVSSXQQBFAMRU-LJQANCHMSA-N 1 0 394.462 3.506 20 30 GHEDRO C=CCn1c(N2CCC(CC[N@@H+](CC)CC3CC3)CC2)nnc1C(C)(C)C#N ZINC001340593344 1059989240 /nfs/dbraw/zinc/98/92/40/1059989240.db2.gz IPXIPGVLGMFJHE-UHFFFAOYSA-N 1 0 384.572 3.604 20 30 GHEDRO C=CCn1c(-c2sc(C)nc2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001340697573 1060057811 /nfs/dbraw/zinc/05/78/11/1060057811.db2.gz MRBGSALZNFYQAM-KRWDZBQOSA-N 1 0 386.569 3.517 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)Cc3ccc(C#N)cc3)n2CC)C1 ZINC001340975881 1060304612 /nfs/dbraw/zinc/30/46/12/1060304612.db2.gz QYZOLQXTWZTPBV-WIYYLYMNSA-N 1 0 394.567 3.684 20 30 GHEDRO C#CCOc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC001449779839 1060460882 /nfs/dbraw/zinc/46/08/82/1060460882.db2.gz IWVGOWBEDUZFIL-HXUWFJFHSA-N 1 0 390.527 3.658 20 30 GHEDRO CCn1c(CCCC#N)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001341188861 1060480450 /nfs/dbraw/zinc/48/04/50/1060480450.db2.gz YQTAOKHWVIQCFO-UHFFFAOYSA-N 1 0 388.519 3.620 20 30 GHEDRO C#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC001450081786 1060527007 /nfs/dbraw/zinc/52/70/07/1060527007.db2.gz PSLSTDPZDSACKK-UXHICEINSA-N 1 0 386.417 3.774 20 30 GHEDRO N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001341929606 1060955481 /nfs/dbraw/zinc/95/54/81/1060955481.db2.gz IHJZAGYJZBDYJC-SFHVURJKSA-N 1 0 395.890 3.900 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001342018812 1060998871 /nfs/dbraw/zinc/99/88/71/1060998871.db2.gz BRVYTUHMIWXWGH-SJORKVTESA-N 1 0 379.499 3.822 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001342258676 1061181311 /nfs/dbraw/zinc/18/13/11/1061181311.db2.gz DRKNITKHAQQAOA-FXAWDEMLSA-N 1 0 378.524 3.732 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001345994039 1061269999 /nfs/dbraw/zinc/26/99/99/1061269999.db2.gz KZABWSNXSOOGTE-OAQYLSRUSA-N 1 0 395.551 3.550 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2Cc2cccs2)CC1 ZINC001346076081 1061341535 /nfs/dbraw/zinc/34/15/35/1061341535.db2.gz VZTFVRQQDNWIST-MJGOQNOKSA-N 1 0 398.580 3.572 20 30 GHEDRO CCCC[NH+]=C(NCCn1cncn1)NCC1(c2cccs2)CCCCC1 ZINC001346082110 1061347831 /nfs/dbraw/zinc/34/78/31/1061347831.db2.gz QAQZMDYIAGJVQH-UHFFFAOYSA-N 1 0 388.585 3.577 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(c2nnc(N(C)[C@H](C)CC#N)n2CC2CC2)CC1 ZINC001346131266 1061387795 /nfs/dbraw/zinc/38/77/95/1061387795.db2.gz IPNYIJUWFZHILY-QGZVFWFLSA-N 1 0 393.539 3.514 20 30 GHEDRO C=C(C)Cn1c(CCCCC#N)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001346229669 1061465873 /nfs/dbraw/zinc/46/58/73/1061465873.db2.gz WBBLVUJNSSKLGI-UHFFFAOYSA-N 1 0 392.551 3.803 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001346645871 1061759845 /nfs/dbraw/zinc/75/98/45/1061759845.db2.gz AVQDHPNJAXRXRZ-DLBZAZTESA-N 1 0 381.515 3.925 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)cc1F ZINC001456053261 1062445711 /nfs/dbraw/zinc/44/57/11/1062445711.db2.gz FJSQBCIGQTYJMP-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001456198883 1062550298 /nfs/dbraw/zinc/55/02/98/1062550298.db2.gz QTERYQISPZTACB-UHFFFAOYSA-N 1 0 397.563 3.648 20 30 GHEDRO O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc(C[NH+]2CCCCC2)o1 ZINC001457947555 1063461086 /nfs/dbraw/zinc/46/10/86/1063461086.db2.gz HSKCOFGHNHZIGS-UHFFFAOYSA-N 1 0 390.299 3.828 20 30 GHEDRO C[C@H]1C[NH+](CCCCNc2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H](C)O1 ZINC001458263223 1063703130 /nfs/dbraw/zinc/70/31/30/1063703130.db2.gz PKQFZWNJAWYKCC-ROUUACIJSA-N 1 0 395.551 3.785 20 30 GHEDRO COC(=O)c1ccc(NCC[NH2+]C(c2ccccc2)c2ccccc2)c(C#N)n1 ZINC001458686658 1063920810 /nfs/dbraw/zinc/92/08/10/1063920810.db2.gz YVIQLIJJJVYTBC-UHFFFAOYSA-N 1 0 386.455 3.531 20 30 GHEDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001349870577 1063931122 /nfs/dbraw/zinc/93/11/22/1063931122.db2.gz XDMVTBYJHZFXQI-GOSISDBHSA-N 1 0 379.504 3.987 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)cc2=O ZINC001459334688 1064066478 /nfs/dbraw/zinc/06/64/78/1064066478.db2.gz NIDRLOBEHFSMHB-UHFFFAOYSA-N 1 0 388.258 3.778 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@H]1CCc2ccccc21 ZINC001350522484 1064113882 /nfs/dbraw/zinc/11/38/82/1064113882.db2.gz MUTCDAMARHPTLY-JOCHJYFZSA-N 1 0 375.516 3.959 20 30 GHEDRO N#Cc1cccc(OCCN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459653239 1064155934 /nfs/dbraw/zinc/15/59/34/1064155934.db2.gz HKSVTBANHXEBLI-ISKFKSNPSA-N 1 0 375.516 3.924 20 30 GHEDRO C#CC[C@@H]([NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001459849939 1064242510 /nfs/dbraw/zinc/24/25/10/1064242510.db2.gz LXWAHGNBPURART-VWNXMTODSA-N 1 0 392.499 3.504 20 30 GHEDRO CS[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1N(C)C ZINC001459891404 1064259637 /nfs/dbraw/zinc/25/96/37/1064259637.db2.gz GLOACOHJYYAPKW-VXKWHMMOSA-N 1 0 379.573 3.864 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459978812 1064315989 /nfs/dbraw/zinc/31/59/89/1064315989.db2.gz FTMNVLWQCIFPGV-SFHVURJKSA-N 1 0 381.561 3.501 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3(C#N)CCCC3)n2CC2CC2)CC1 ZINC001351359613 1064402814 /nfs/dbraw/zinc/40/28/14/1064402814.db2.gz MOLPOVWQUYUUSR-UHFFFAOYSA-N 1 0 384.572 3.580 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001351778986 1064598127 /nfs/dbraw/zinc/59/81/27/1064598127.db2.gz YEGAUNQMRCSDJM-JOCHJYFZSA-N 1 0 382.556 3.500 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001463911251 1064713617 /nfs/dbraw/zinc/71/36/17/1064713617.db2.gz RSVJNSVRWOANSM-AREMUKBSSA-N 1 0 396.490 3.662 20 30 GHEDRO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001464454220 1065019555 /nfs/dbraw/zinc/01/95/55/1065019555.db2.gz WLLDHUOFABUXEY-FQEVSTJZSA-N 1 0 399.535 3.570 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001464548095 1065075505 /nfs/dbraw/zinc/07/55/05/1065075505.db2.gz QAHJIZZEBFWRGL-LJQANCHMSA-N 1 0 375.472 3.808 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC001465398616 1065587683 /nfs/dbraw/zinc/58/76/83/1065587683.db2.gz FCEFOZANTANSMZ-UHFFFAOYSA-N 1 0 398.551 3.885 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CC[N@H+](C)C1 ZINC001465431619 1065608385 /nfs/dbraw/zinc/60/83/85/1065608385.db2.gz OFANUWKFFOXYPU-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2nc3ccc(Br)cc3c(=O)[nH]2)CC1 ZINC001353239349 1065796280 /nfs/dbraw/zinc/79/62/80/1065796280.db2.gz PCSSPJHBXZKDBI-UHFFFAOYSA-N 1 0 377.286 3.550 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300291272 1065937497 /nfs/dbraw/zinc/93/74/97/1065937497.db2.gz CMECNKBKVVZNEI-MOPGFXCFSA-N 1 0 395.551 3.532 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747963 1066031909 /nfs/dbraw/zinc/03/19/09/1066031909.db2.gz UXFDHBBUNFHKAC-UHFFFAOYSA-N 1 0 394.519 3.909 20 30 GHEDRO Cc1ccc([N+](=O)[O-])c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847748959 1066037711 /nfs/dbraw/zinc/03/77/11/1066037711.db2.gz KVBXPWGOZYKEAJ-UHFFFAOYSA-N 1 0 393.443 3.866 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC001466515466 1066177191 /nfs/dbraw/zinc/17/71/91/1066177191.db2.gz BYZWSQSXRKXVQX-INIZCTEOSA-N 1 0 396.539 3.893 20 30 GHEDRO CCC[C@H]1CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[N@@H+]1CCOC ZINC001466649009 1066233734 /nfs/dbraw/zinc/23/37/34/1066233734.db2.gz VRPFZEYZTVDNIH-HNNXBMFYSA-N 1 0 392.569 3.882 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1nc(Cl)c(C#N)s1)[N@H+](C)Cc1ccccc1 ZINC001466806465 1066326228 /nfs/dbraw/zinc/32/62/28/1066326228.db2.gz VFKJPAPQNZULJG-LBPRGKRZSA-N 1 0 377.901 3.700 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@]2(C1)OCc1ccccc12)C(C)C ZINC001467660496 1067404891 /nfs/dbraw/zinc/40/48/91/1067404891.db2.gz QQNZPNPASGGROI-UPVQGACJSA-N 1 0 397.563 3.916 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001358874473 1067589766 /nfs/dbraw/zinc/58/97/66/1067589766.db2.gz XPZABDJYFSGTBS-WFXMLNOXSA-N 1 0 379.552 3.761 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+](CC)C1CC1 ZINC001358877732 1067591313 /nfs/dbraw/zinc/59/13/13/1067591313.db2.gz JWEBHYCXQKOVPO-INIZCTEOSA-N 1 0 377.492 3.634 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001358884847 1067595972 /nfs/dbraw/zinc/59/59/72/1067595972.db2.gz YDZZCVBWELQQNQ-ZWKOTPCHSA-N 1 0 390.535 3.861 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001358895862 1067602510 /nfs/dbraw/zinc/60/25/10/1067602510.db2.gz SGDGXPTUIHOQHU-FQEVSTJZSA-N 1 0 385.600 3.981 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001358898433 1067603900 /nfs/dbraw/zinc/60/39/00/1067603900.db2.gz SDRVONWSCTUJMS-UXHICEINSA-N 1 0 397.567 3.600 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCC[C@@H]1C ZINC001358942747 1067624029 /nfs/dbraw/zinc/62/40/29/1067624029.db2.gz IKRIVCXDXPDQEC-SFHVURJKSA-N 1 0 379.552 3.796 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2C)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001358975005 1067632575 /nfs/dbraw/zinc/63/25/75/1067632575.db2.gz YXQHSJYEUSRTRD-QFIPXVFZSA-N 1 0 391.563 3.693 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001359000913 1067643317 /nfs/dbraw/zinc/64/33/17/1067643317.db2.gz HEAWZKNGPRARIH-CTNGQTDRSA-N 1 0 379.552 3.621 20 30 GHEDRO C#CCN(CC)c1nnc(C2CC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359007907 1067649403 /nfs/dbraw/zinc/64/94/03/1067649403.db2.gz ARBSTQIZTQWEOH-OAQYLSRUSA-N 1 0 391.563 3.917 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359011257 1067651272 /nfs/dbraw/zinc/65/12/72/1067651272.db2.gz QWESBCFGXFPWKO-UHFFFAOYSA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359011158 1067651472 /nfs/dbraw/zinc/65/14/72/1067651472.db2.gz MKUXDVLZJNZUDN-SFHVURJKSA-N 1 0 399.970 3.714 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCC1CC[NH+](CC)CC1 ZINC001359070917 1067671463 /nfs/dbraw/zinc/67/14/63/1067671463.db2.gz YAVZKMADWQOZJF-NFBKMPQASA-N 1 0 399.583 3.634 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359114625 1067693588 /nfs/dbraw/zinc/69/35/88/1067693588.db2.gz RHEKTCOQGLPFMQ-OAQYLSRUSA-N 1 0 396.583 3.931 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)CCCOC)CC1 ZINC001359176746 1067735521 /nfs/dbraw/zinc/73/55/21/1067735521.db2.gz MPYLHHIRCQKVRO-UHFFFAOYSA-N 1 0 397.567 3.624 20 30 GHEDRO C=CC1CCN(c2nnc(C3CC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001359177654 1067737045 /nfs/dbraw/zinc/73/70/45/1067737045.db2.gz WNSKEBOTRAGJMW-HXUWFJFHSA-N 1 0 383.515 4.000 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359186256 1067750138 /nfs/dbraw/zinc/75/01/38/1067750138.db2.gz ZQKMZVDKDHNVSG-QZTJIDSGSA-N 1 0 384.572 3.805 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359190687 1067756912 /nfs/dbraw/zinc/75/69/12/1067756912.db2.gz ZPSCRWIXUXSHCF-MOPGFXCFSA-N 1 0 396.583 3.785 20 30 GHEDRO C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001359211626 1067784835 /nfs/dbraw/zinc/78/48/35/1067784835.db2.gz JOJQLUUDFWFPMQ-GOSISDBHSA-N 1 0 390.535 3.990 20 30 GHEDRO C=CCCCn1c(-c2cccn2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359213521 1067787267 /nfs/dbraw/zinc/78/72/67/1067787267.db2.gz XWVNKFVYSSEHOX-UHFFFAOYSA-N 1 0 382.556 3.705 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001468606428 1067789377 /nfs/dbraw/zinc/78/93/77/1067789377.db2.gz RPMMDHIBABIAJJ-SXLOBPIMSA-N 1 0 391.943 3.585 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001468638648 1067801334 /nfs/dbraw/zinc/80/13/34/1067801334.db2.gz XVDMGJIUICLXRD-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001468642604 1067802833 /nfs/dbraw/zinc/80/28/33/1067802833.db2.gz XUCPCCINCBADHN-UHFFFAOYSA-N 1 0 394.494 3.799 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359241984 1067852460 /nfs/dbraw/zinc/85/24/60/1067852460.db2.gz KOFKUTRSHCSDOH-SFHVURJKSA-N 1 0 385.531 3.895 20 30 GHEDRO C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCC(C)CC1 ZINC001359243474 1067855947 /nfs/dbraw/zinc/85/59/47/1067855947.db2.gz SRUAKENMDYLNMD-UHFFFAOYSA-N 1 0 392.551 3.635 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC001359249012 1067895533 /nfs/dbraw/zinc/89/55/33/1067895533.db2.gz KWOANVCSCWVEBQ-IBGZPJMESA-N 1 0 394.567 3.863 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC001359249118 1067895608 /nfs/dbraw/zinc/89/56/08/1067895608.db2.gz OWGDIBPGOLNUTC-LJQANCHMSA-N 1 0 380.540 3.615 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCOC2)n1CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC001359251164 1067902185 /nfs/dbraw/zinc/90/21/85/1067902185.db2.gz DUUWKXUKLRBVKY-OALUTQOASA-N 1 0 387.572 3.591 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001468874901 1067914958 /nfs/dbraw/zinc/91/49/58/1067914958.db2.gz DNQSVFPPDWYFBI-UYAOXDASSA-N 1 0 377.573 3.844 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@H+]1CC ZINC001359259015 1067921150 /nfs/dbraw/zinc/92/11/50/1067921150.db2.gz JPUHDKSMVXRJJK-LEWJYISDSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(N2CCCOCC2)nnc1C(C)(C)C)C(C)C ZINC001359266276 1067928993 /nfs/dbraw/zinc/92/89/93/1067928993.db2.gz XLTZLRFBZGKJKG-IBGZPJMESA-N 1 0 389.588 3.501 20 30 GHEDRO C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359288445 1067980024 /nfs/dbraw/zinc/98/00/24/1067980024.db2.gz FKCDTOBHGQEOEE-TZIWHRDSSA-N 1 0 394.567 3.541 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1C#N ZINC001477928746 1078632627 /nfs/dbraw/zinc/63/26/27/1078632627.db2.gz YWZDHMOSACKOKI-QFIPXVFZSA-N 1 0 376.504 3.893 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359313945 1068027002 /nfs/dbraw/zinc/02/70/02/1068027002.db2.gz UBPKWVJQLVFKQU-SLFFLAALSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359313717 1068027520 /nfs/dbraw/zinc/02/75/20/1068027520.db2.gz QKUVFVDMGWIGCR-SLFFLAALSA-N 1 0 389.588 3.837 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001359322093 1068032182 /nfs/dbraw/zinc/03/21/82/1068032182.db2.gz POLVKCPEAUSEFF-NHCUHLMSSA-N 1 0 397.567 3.561 20 30 GHEDRO C=CCSCCn1c(CC(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359343821 1068039805 /nfs/dbraw/zinc/03/98/05/1068039805.db2.gz CGRPRYWFWRDCOZ-UHFFFAOYSA-N 1 0 391.629 3.851 20 30 GHEDRO C=C(C)COCCNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001469329154 1068106272 /nfs/dbraw/zinc/10/62/72/1068106272.db2.gz JVJZXWSWQFKVDF-JOCHJYFZSA-N 1 0 399.579 3.911 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(C)CC2)CC1 ZINC001360144730 1068384427 /nfs/dbraw/zinc/38/44/27/1068384427.db2.gz UNHOBPZUVJOCHZ-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001469796145 1068394128 /nfs/dbraw/zinc/39/41/28/1068394128.db2.gz TZUPXACZCSVQCB-MRXNPFEDSA-N 1 0 391.450 3.733 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001469855781 1068431185 /nfs/dbraw/zinc/43/11/85/1068431185.db2.gz GSGSKGBOKJQZOQ-FOIQADDNSA-N 1 0 386.446 3.897 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001360541776 1068550654 /nfs/dbraw/zinc/55/06/54/1068550654.db2.gz NXRCBMUPSAQEDT-QFBILLFUSA-N 1 0 380.540 3.639 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2F)nnc1N(CCC#N)CC1CC1)[N@H+](C)C1CC1 ZINC001360545262 1068551782 /nfs/dbraw/zinc/55/17/82/1068551782.db2.gz YMWLIIZVVSPGJF-MRXNPFEDSA-N 1 0 396.514 3.697 20 30 GHEDRO C#Cc1ccc(CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc1 ZINC001470230454 1068637063 /nfs/dbraw/zinc/63/70/63/1068637063.db2.gz JPQFRDWZMNGGMR-HSZRJFAPSA-N 1 0 377.532 3.969 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001460083754 1068769947 /nfs/dbraw/zinc/76/99/47/1068769947.db2.gz VSPVHMBMRGSBLF-XMMPIXPASA-N 1 0 388.559 3.567 20 30 GHEDRO CC(C)O[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC001460346223 1068935389 /nfs/dbraw/zinc/93/53/89/1068935389.db2.gz YNKFYNZEHWRPCP-CVEARBPZSA-N 1 0 389.565 3.963 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)C12CCCC2 ZINC001460365258 1068943752 /nfs/dbraw/zinc/94/37/52/1068943752.db2.gz KMVNURVDIYHCQG-LJQANCHMSA-N 1 0 385.508 3.849 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC001460724067 1069125659 /nfs/dbraw/zinc/12/56/59/1069125659.db2.gz FIUHVURTBAHPHK-HNNXBMFYSA-N 1 0 382.460 3.582 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]CCOc1ccccc1C#N ZINC001460972801 1069307820 /nfs/dbraw/zinc/30/78/20/1069307820.db2.gz AIYFXAROJJFTBA-YZGWKJHDSA-N 1 0 399.535 3.951 20 30 GHEDRO CC1(C)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC(C)(C)C1 ZINC001470672375 1072680712 /nfs/dbraw/zinc/68/07/12/1072680712.db2.gz STURTWMCEMWVOQ-UHFFFAOYSA-N 1 0 382.552 3.990 20 30 GHEDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3Oc3ccccc3C#N)C[C@@]2(C)C1 ZINC001470675596 1072683445 /nfs/dbraw/zinc/68/34/45/1072683445.db2.gz TUENWZWXNIFNKA-ZRZAMGCNSA-N 1 0 375.472 3.764 20 30 GHEDRO C[C@]12CN(C(=O)c3ccc(C#N)cc3F)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001470776874 1072732415 /nfs/dbraw/zinc/73/24/15/1072732415.db2.gz MVPFDLOQTICBEJ-ZRZAMGCNSA-N 1 0 377.463 3.682 20 30 GHEDRO C=CC(C)(C)CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001470904106 1072803000 /nfs/dbraw/zinc/80/30/00/1072803000.db2.gz IWDDILTXCINPRS-PMACEKPBSA-N 1 0 378.605 3.567 20 30 GHEDRO Cc1nc(C#N)cc(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC001472746617 1073647626 /nfs/dbraw/zinc/64/76/26/1073647626.db2.gz BYFCOVYTYJRVDL-UHFFFAOYSA-N 1 0 389.425 3.776 20 30 GHEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1snc(Cl)c1C#N ZINC001472808309 1073675045 /nfs/dbraw/zinc/67/50/45/1073675045.db2.gz NSKSPULWIUWHBT-GDBMZVCRSA-N 1 0 376.913 3.617 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3ncc(C#N)cc3Br)CC2)c1 ZINC001472820274 1073680937 /nfs/dbraw/zinc/68/09/37/1073680937.db2.gz FIMCDBBKGVYSSR-UHFFFAOYSA-N 1 0 396.292 3.664 20 30 GHEDRO C[C@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC1CCC1 ZINC001473420143 1073956934 /nfs/dbraw/zinc/95/69/34/1073956934.db2.gz FHTGQGIYNHOVLU-HUUCEWRRSA-N 1 0 389.565 3.556 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001473627802 1074056793 /nfs/dbraw/zinc/05/67/93/1074056793.db2.gz QCDATBAVIYVOQU-NQIIRXRSSA-N 1 0 389.971 3.881 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001473627801 1074057026 /nfs/dbraw/zinc/05/70/26/1074057026.db2.gz QCDATBAVIYVOQU-GHTZIAJQSA-N 1 0 389.971 3.881 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCCO2 ZINC001473663715 1074073333 /nfs/dbraw/zinc/07/33/33/1074073333.db2.gz LJYJFXMSAGHPBE-HRAATJIYSA-N 1 0 375.472 3.729 20 30 GHEDRO C[C@@]1(Cc2cccc3ccccc32)CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC001473668358 1074075332 /nfs/dbraw/zinc/07/53/32/1074075332.db2.gz ISGGPRWWNDCJCX-DEOSSOPVSA-N 1 0 388.515 3.893 20 30 GHEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)C1 ZINC001473673639 1074078336 /nfs/dbraw/zinc/07/83/36/1074078336.db2.gz QAIUSJUZULYBBP-HXUWFJFHSA-N 1 0 391.515 3.762 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC001473679367 1074081557 /nfs/dbraw/zinc/08/15/57/1074081557.db2.gz RSJKWMOCQXFORY-UHFFFAOYSA-N 1 0 376.456 3.886 20 30 GHEDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCc1cccc(C#N)c1 ZINC001473731834 1074113717 /nfs/dbraw/zinc/11/37/17/1074113717.db2.gz IBOWYOISXRVOQY-ZDUSSCGKSA-N 1 0 386.839 3.621 20 30 GHEDRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC001473974036 1074222609 /nfs/dbraw/zinc/22/26/09/1074222609.db2.gz GJKMSZNSSIOJSJ-SFHVURJKSA-N 1 0 384.911 3.655 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1OC ZINC001474019701 1074238699 /nfs/dbraw/zinc/23/86/99/1074238699.db2.gz GQIDHVWYZZLODI-KRWDZBQOSA-N 1 0 376.497 3.653 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCOc1ncccc1Cl ZINC001474042065 1074245718 /nfs/dbraw/zinc/24/57/18/1074245718.db2.gz AIOLEUJIBRTPHC-UHFFFAOYSA-N 1 0 395.684 3.678 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CCNc2ccc(C(F)(F)F)cn2)c1 ZINC001474303546 1074332049 /nfs/dbraw/zinc/33/20/49/1074332049.db2.gz FJASBDDWIAKORM-UHFFFAOYSA-N 1 0 399.214 3.936 20 30 GHEDRO Cc1nn(-c2cccc(C)c2)cc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001474506568 1074437732 /nfs/dbraw/zinc/43/77/32/1074437732.db2.gz GRPGNAQYOKNWSD-UHFFFAOYSA-N 1 0 387.531 3.925 20 30 GHEDRO COC(=O)C(C)(C)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)C ZINC001474683056 1074512731 /nfs/dbraw/zinc/51/27/31/1074512731.db2.gz FFWSWQXEUHMNCI-UHFFFAOYSA-N 1 0 397.523 3.516 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc2nc(C)sc2c1)C(C)C ZINC001475200464 1074781841 /nfs/dbraw/zinc/78/18/41/1074781841.db2.gz HPSAAHFXFUHLJA-GOSISDBHSA-N 1 0 393.578 3.582 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001476057061 1075076492 /nfs/dbraw/zinc/07/64/92/1075076492.db2.gz QYRAXLWSBNPXBO-OXQOHEQNSA-N 1 0 391.475 3.836 20 30 GHEDRO CCCN(C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)[C@@H]1CC[N@H+](C)C1 ZINC001476200875 1075102929 /nfs/dbraw/zinc/10/29/29/1075102929.db2.gz DJQKYGUWOZMTTG-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccc(F)cc1OCC#N ZINC001476283293 1075115724 /nfs/dbraw/zinc/11/57/24/1075115724.db2.gz KNEXERXMVBXJTI-AEFFLSMTSA-N 1 0 396.466 3.618 20 30 GHEDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001654935746 1126254528 /nfs/dbraw/zinc/25/45/28/1126254528.db2.gz KKZLQMYCEAGGQN-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736788897 600593017 /nfs/dbraw/zinc/59/30/17/600593017.db2.gz HTLIMUHTYOFSFH-VGOFRKELSA-N 1 0 377.488 3.848 20 30 GHEDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000833594981 605165652 /nfs/dbraw/zinc/16/56/52/605165652.db2.gz HQKNFEIDCPOZNW-NQSCKRDGSA-N 1 0 377.488 3.574 20 30 GHEDRO CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000821221484 606483485 /nfs/dbraw/zinc/48/34/85/606483485.db2.gz JDWDDFJBBXEGFD-ZDUSSCGKSA-N 1 0 398.417 3.923 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826387240 608505788 /nfs/dbraw/zinc/50/57/88/608505788.db2.gz LTIDAESUYUFLQO-FQEVSTJZSA-N 1 0 390.516 3.639 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825039567 608521368 /nfs/dbraw/zinc/52/13/68/608521368.db2.gz UCARJPDCFHCBAF-RXVVDRJESA-N 1 0 388.475 3.715 20 30 GHEDRO CCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825323097 608548265 /nfs/dbraw/zinc/54/82/65/608548265.db2.gz OGXJERWLXMFPQO-MRXNPFEDSA-N 1 0 376.464 3.570 20 30 GHEDRO C=CC[N@H+](Cc1cccc(OCCCC#N)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823919504 608632858 /nfs/dbraw/zinc/63/28/58/608632858.db2.gz IUVZWUIQDMCYEU-UHFFFAOYSA-N 1 0 388.475 3.737 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(C)nc(C#N)n4)CC3)CC2)cc1 ZINC001164759542 721044588 /nfs/dbraw/zinc/04/45/88/721044588.db2.gz OHVHYOKDSOKJCO-UHFFFAOYSA-N 1 0 375.520 3.848 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164766319 721280792 /nfs/dbraw/zinc/28/07/92/721280792.db2.gz CVSNHTXBMNOTLE-UHFFFAOYSA-N 1 0 387.261 3.727 20 30 GHEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)CCC1 ZINC001164910266 721533028 /nfs/dbraw/zinc/53/30/28/721533028.db2.gz UAKOIBBBCVGZIR-CTNGQTDRSA-N 1 0 392.478 3.508 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001165038837 721899501 /nfs/dbraw/zinc/89/95/01/721899501.db2.gz RTLNNULBWIWPIJ-OAHLLOKOSA-N 1 0 391.853 3.744 20 30 GHEDRO N#Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc2ccc(Cl)cc12 ZINC001165044019 721961249 /nfs/dbraw/zinc/96/12/49/721961249.db2.gz CKNYMPOCVYGIGY-UHFFFAOYSA-N 1 0 392.890 3.961 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1C#N ZINC000580686914 837394845 /nfs/dbraw/zinc/39/48/45/837394845.db2.gz VNHGXXOGGSCQSI-TZIWHRDSSA-N 1 0 384.524 3.577 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180112181 837394983 /nfs/dbraw/zinc/39/49/83/837394983.db2.gz YOHVZDVMDPSXQJ-UHFFFAOYSA-N 1 0 399.498 3.765 20 30 GHEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC3)c2c1 ZINC000066436743 837422641 /nfs/dbraw/zinc/42/26/41/837422641.db2.gz CCDGDTKRDXUWBK-QMHKHESXSA-N 1 0 396.535 3.799 20 30 GHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccccc2-c2ccccc2C#N)C[C@@H](C)O1 ZINC000176691099 837494137 /nfs/dbraw/zinc/49/41/37/837494137.db2.gz HLAKXSOKNBRGON-RTBURBONSA-N 1 0 391.515 3.844 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNc2c(C#N)cnc3c(F)ccc(F)c32)cc1 ZINC000610276415 837559485 /nfs/dbraw/zinc/55/94/85/837559485.db2.gz UYCCEIMVINPTED-UHFFFAOYSA-N 1 0 396.441 3.749 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000176712084 837719552 /nfs/dbraw/zinc/71/95/52/837719552.db2.gz QCJLXPHXKKVGKB-JOCHJYFZSA-N 1 0 377.488 3.548 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)ccc21 ZINC000581868470 837736901 /nfs/dbraw/zinc/73/69/01/837736901.db2.gz VUNOMYSUCSGZEI-LAUBAEHRSA-N 1 0 392.478 3.711 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)nc1 ZINC000430163916 834716272 /nfs/dbraw/zinc/71/62/72/834716272.db2.gz AJQYHGVFSGLZPE-QGZVFWFLSA-N 1 0 382.895 3.860 20 30 GHEDRO C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000329277636 834721102 /nfs/dbraw/zinc/72/11/02/834721102.db2.gz KWNLVPLQQNKUNC-CIQXWFTPSA-N 1 0 385.552 3.751 20 30 GHEDRO C[N@H+](CCCCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000458624893 834803719 /nfs/dbraw/zinc/80/37/19/834803719.db2.gz OOIWHSMOXCNEMS-UHFFFAOYSA-N 1 0 376.504 3.899 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1OCCCC#N ZINC000278362972 834820875 /nfs/dbraw/zinc/82/08/75/834820875.db2.gz JTMJYIVTZAPZCS-MAUKXSAKSA-N 1 0 386.414 3.513 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329833979 834861237 /nfs/dbraw/zinc/86/12/37/834861237.db2.gz UKYGIAJQWPCRRK-NRFANRHFSA-N 1 0 393.535 3.992 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000247232628 837818744 /nfs/dbraw/zinc/81/87/44/837818744.db2.gz DAYPLDVMPVCDEX-HTAPYJJXSA-N 1 0 377.488 3.549 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000278388953 834929504 /nfs/dbraw/zinc/92/95/04/834929504.db2.gz DOSLJEJQYJPRQA-UHFFFAOYSA-N 1 0 398.482 3.853 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246729287 834996770 /nfs/dbraw/zinc/99/67/70/834996770.db2.gz MRTIRPQKYPSJMC-ZWKOTPCHSA-N 1 0 387.499 3.956 20 30 GHEDRO N#CC1(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)CCCCC1 ZINC000064805570 835005646 /nfs/dbraw/zinc/00/56/46/835005646.db2.gz PUIACJXBJFLJAW-UHFFFAOYSA-N 1 0 397.519 3.893 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510088367 835084167 /nfs/dbraw/zinc/08/41/67/835084167.db2.gz PZDQRULKHABGHH-IPJJNNNSSA-N 1 0 391.515 3.742 20 30 GHEDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000611941359 835090643 /nfs/dbraw/zinc/09/06/43/835090643.db2.gz RRDBHMMCEFALGG-DLBZAZTESA-N 1 0 380.492 3.639 20 30 GHEDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000611941361 835091114 /nfs/dbraw/zinc/09/11/14/835091114.db2.gz RRDBHMMCEFALGG-IRXDYDNUSA-N 1 0 380.492 3.639 20 30 GHEDRO CN(C(=O)C1(c2cc(F)cc(C#N)c2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512495511 844020322 /nfs/dbraw/zinc/02/03/22/844020322.db2.gz BTLMMMPYAPIZPD-UHFFFAOYSA-N 1 0 391.490 3.852 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(-c2nnco2)ccc1C)C(C)C ZINC000151178861 835145571 /nfs/dbraw/zinc/14/55/71/835145571.db2.gz IHVFASBJQPIFDL-IBGZPJMESA-N 1 0 383.496 3.865 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000610214973 835159084 /nfs/dbraw/zinc/15/90/84/835159084.db2.gz AEPYVEWOILYHMM-OAQYLSRUSA-N 1 0 391.515 3.897 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)CC1 ZINC000067208278 844024861 /nfs/dbraw/zinc/02/48/61/844024861.db2.gz WRTAJPOXXMOMRV-UHFFFAOYSA-N 1 0 389.927 3.542 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3ccccc3Br)CCC2)CC1 ZINC000650853030 835220552 /nfs/dbraw/zinc/22/05/52/835220552.db2.gz ZEFMEOWWKVXSSC-UHFFFAOYSA-N 1 0 392.341 3.778 20 30 GHEDRO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)ccc1Br ZINC000430227072 835264767 /nfs/dbraw/zinc/26/47/67/835264767.db2.gz ORQUCJXYINMMQD-QGZVFWFLSA-N 1 0 378.314 3.657 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247985150 835363289 /nfs/dbraw/zinc/36/32/89/835363289.db2.gz IDXOKHQDMXNCCK-FGZHOGPDSA-N 1 0 379.504 3.838 20 30 GHEDRO [NH2+]=C(NCc1nc(-c2ccccc2)c[nH]1)NCc1ccc(OC(F)(F)F)cc1 ZINC000176967319 835400900 /nfs/dbraw/zinc/40/09/00/835400900.db2.gz BNSZLLOKRMSXFT-UHFFFAOYSA-N 1 0 389.381 3.580 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179276442 835483515 /nfs/dbraw/zinc/48/35/15/835483515.db2.gz QUOAQUXPHJBFGQ-FCHUYYIVSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CCc3cccnc3OC(C)C)C2)C1 ZINC001208789504 835527715 /nfs/dbraw/zinc/52/77/15/835527715.db2.gz ZDQQRZCVFSTMCL-QFIPXVFZSA-N 1 0 387.524 3.522 20 30 GHEDRO CC(C)Oc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278621538 835564691 /nfs/dbraw/zinc/56/46/91/835564691.db2.gz JRIDSTQBCHEILW-UHFFFAOYSA-N 1 0 375.476 3.936 20 30 GHEDRO Cc1cc2ncc(C(=O)Nc3cccc(CN4C[C@@H](C)O[C@@H](C)C4)c3)c(C)n2n1 ZINC000329675025 835649632 /nfs/dbraw/zinc/64/96/32/835649632.db2.gz OWAKGXXRYUWLQB-IYBDPMFKSA-N 1 0 393.491 3.592 20 30 GHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000512526541 844074232 /nfs/dbraw/zinc/07/42/32/844074232.db2.gz HDROJMCPRGAWSY-OAQYLSRUSA-N 1 0 395.551 3.870 20 30 GHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000584131276 835674404 /nfs/dbraw/zinc/67/44/04/835674404.db2.gz NYHNQSSBTRVDDZ-AWEZNQCLSA-N 1 0 385.327 3.587 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000429950567 844086078 /nfs/dbraw/zinc/08/60/78/844086078.db2.gz OURREHPKOTXEAR-UHFFFAOYSA-N 1 0 379.504 3.940 20 30 GHEDRO C[C@H](NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000074855134 835785462 /nfs/dbraw/zinc/78/54/62/835785462.db2.gz ISNLKKQKCNDWDX-AVRDEDQJSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC([NH2+]C(C)C)CC2)cc1OC ZINC000179834956 835886917 /nfs/dbraw/zinc/88/69/17/835886917.db2.gz HPJMNJKNBSZNAX-UHFFFAOYSA-N 1 0 397.357 3.985 20 30 GHEDRO C=CCC1(NC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CCCC1 ZINC000658722237 835949461 /nfs/dbraw/zinc/94/94/61/835949461.db2.gz NOWYUGBEXGCSTC-UHFFFAOYSA-N 1 0 383.536 3.862 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CC3(c4ccccc4)CCOCC3)CC2)cc1 ZINC000375855824 836087932 /nfs/dbraw/zinc/08/79/32/836087932.db2.gz CEZCKFDBUJQCIM-UHFFFAOYSA-N 1 0 375.516 3.865 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510923113 844127636 /nfs/dbraw/zinc/12/76/36/844127636.db2.gz YLXAJWWJCUNIPQ-OAHLLOKOSA-N 1 0 381.442 3.768 20 30 GHEDRO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000179869641 836156706 /nfs/dbraw/zinc/15/67/06/836156706.db2.gz TUFBHCPVPZZUIG-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000180488957 836180061 /nfs/dbraw/zinc/18/00/61/836180061.db2.gz HCCXBCPSSLZUQU-HSZRJFAPSA-N 1 0 398.572 3.728 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000610245006 836184947 /nfs/dbraw/zinc/18/49/47/836184947.db2.gz WREAXZDHKNLJFM-UHFFFAOYSA-N 1 0 378.426 3.883 20 30 GHEDRO C=C(C)CN(C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000180521866 836188508 /nfs/dbraw/zinc/18/85/08/836188508.db2.gz KPAIWAIATPHRMU-UHFFFAOYSA-N 1 0 392.547 3.726 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173656953 836242357 /nfs/dbraw/zinc/24/23/57/836242357.db2.gz RZPNZEGLEAMGFD-UNMCSNQZSA-N 1 0 391.515 3.860 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3cc(C#N)nc4ccccc43)cc2)C[C@H](C)O1 ZINC000610246201 836249361 /nfs/dbraw/zinc/24/93/61/836249361.db2.gz ORRDFMITLUGFJF-ROUUACIJSA-N 1 0 386.499 3.750 20 30 GHEDRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000065930730 836251811 /nfs/dbraw/zinc/25/18/11/836251811.db2.gz QABLBSWHXXLABK-UHFFFAOYSA-N 1 0 399.922 3.743 20 30 GHEDRO Cc1c2cc(F)ccc2oc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930964 836252735 /nfs/dbraw/zinc/25/27/35/836252735.db2.gz IOOPYRSTJZPBBA-UHFFFAOYSA-N 1 0 379.435 3.956 20 30 GHEDRO CC(C)c1ccc(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931085 836256885 /nfs/dbraw/zinc/25/68/85/836256885.db2.gz PDCAMUAXFRYRMY-UHFFFAOYSA-N 1 0 379.504 3.651 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@]3(CCSC3)C1)CCC2 ZINC000582342137 836281150 /nfs/dbraw/zinc/28/11/50/836281150.db2.gz ZHVDVNYUGWUCER-LJQANCHMSA-N 1 0 375.563 3.656 20 30 GHEDRO Cc1ccc(F)c(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000065940497 836283854 /nfs/dbraw/zinc/28/38/54/836283854.db2.gz LISGQEXVIBHNRX-UHFFFAOYSA-O 1 0 395.479 3.965 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000582442080 836293668 /nfs/dbraw/zinc/29/36/68/836293668.db2.gz DULZFOANJSYILA-GCJKJVERSA-N 1 0 399.560 3.743 20 30 GHEDRO CC(C)(C)N1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000236649956 836338550 /nfs/dbraw/zinc/33/85/50/836338550.db2.gz GLYBUICNIRLIJH-HXUWFJFHSA-N 1 0 377.488 3.626 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2)ccc1OC ZINC000177331990 836345753 /nfs/dbraw/zinc/34/57/53/836345753.db2.gz RSBDTTXFOGPLMR-APWZRJJASA-N 1 0 381.476 3.883 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2cccn2)c1 ZINC000179997794 836567619 /nfs/dbraw/zinc/56/76/19/836567619.db2.gz PQZWGGSBGIIGOM-VGSWGCGISA-N 1 0 385.471 3.590 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2cccn2)c1 ZINC000179997765 836567934 /nfs/dbraw/zinc/56/79/34/836567934.db2.gz PQZWGGSBGIIGOM-VGOFRKELSA-N 1 0 385.471 3.590 20 30 GHEDRO C=C(C)CCC(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001143465534 836626198 /nfs/dbraw/zinc/62/61/98/836626198.db2.gz UMOHVFFSBYDPOC-UHFFFAOYSA-N 1 0 378.520 3.741 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000180193849 836636875 /nfs/dbraw/zinc/63/68/75/836636875.db2.gz ABZITBRJKJALKS-GGAORHGYSA-N 1 0 377.488 3.669 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187671363 844189122 /nfs/dbraw/zinc/18/91/22/844189122.db2.gz SNTDCRNGDMUKFX-AZUAARDMSA-N 1 0 397.544 3.618 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180217050 836721505 /nfs/dbraw/zinc/72/15/05/836721505.db2.gz YVLFEQJJKPHTCB-HSZRJFAPSA-N 1 0 385.515 3.713 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472464115 836734546 /nfs/dbraw/zinc/73/45/46/836734546.db2.gz NWQWZWRXBSWEOB-RBBKRZOGSA-N 1 0 396.579 3.602 20 30 GHEDRO COc1cccc(O[C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180254803 836880319 /nfs/dbraw/zinc/88/03/19/836880319.db2.gz PWGSYQDBIGTUJE-MRXNPFEDSA-N 1 0 376.460 3.524 20 30 GHEDRO COc1ccccc1[C@H]1CC[C@@H](C)CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238972 836920504 /nfs/dbraw/zinc/92/05/04/836920504.db2.gz JFWRJKKMPZMSKR-DYESRHJHSA-N 1 0 398.528 3.814 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000472471178 836934289 /nfs/dbraw/zinc/93/42/89/836934289.db2.gz PJTXKACJYUCWTO-HSZRJFAPSA-N 1 0 394.563 3.847 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC001218245530 836962549 /nfs/dbraw/zinc/96/25/49/836962549.db2.gz GRQUDLPXGFWJDL-CWSCBRNRSA-N 1 0 386.087 3.603 20 30 GHEDRO C=C[C@@H](CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000658953816 836964851 /nfs/dbraw/zinc/96/48/51/836964851.db2.gz SDTMKSVYHAPKNQ-LRQRDZAKSA-N 1 0 382.479 3.837 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000027073461 837025664 /nfs/dbraw/zinc/02/56/64/837025664.db2.gz BSIYGPCVRIATQK-LJQANCHMSA-O 1 0 397.564 3.915 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000027072887 837025901 /nfs/dbraw/zinc/02/59/01/837025901.db2.gz FDFYWRKGBBWCLY-SFHVURJKSA-O 1 0 383.537 3.607 20 30 GHEDRO C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000027487553 837054482 /nfs/dbraw/zinc/05/44/82/837054482.db2.gz ASPGFMNFEZVEAZ-LPHOPBHVSA-O 1 0 383.537 3.574 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)CSCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000134942051 837123066 /nfs/dbraw/zinc/12/30/66/837123066.db2.gz CHHGOJBFIVLKIN-UWJYYQICSA-N 1 0 379.529 3.571 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2CC[NH2+]CC[C@H]2F)c(Br)c1 ZINC001218015068 837213451 /nfs/dbraw/zinc/21/34/51/837213451.db2.gz JIDFKRMULYUQHE-NEPJUHHUSA-N 1 0 392.066 3.552 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](CC)Oc2cccc(C(F)(F)F)c2)CC1 ZINC000431742621 837267282 /nfs/dbraw/zinc/26/72/82/837267282.db2.gz MBXYYWQGOQHIDN-KRWDZBQOSA-N 1 0 399.457 3.812 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC001167284395 837327010 /nfs/dbraw/zinc/32/70/10/837327010.db2.gz XZNDJMQVYWMUHY-UHFFFAOYSA-N 1 0 398.551 3.717 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000610272124 837330521 /nfs/dbraw/zinc/33/05/21/837330521.db2.gz ACCPURIBEGYKEN-MZYLBHOOSA-N 1 0 389.499 3.616 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000613179175 837371853 /nfs/dbraw/zinc/37/18/53/837371853.db2.gz OQERLCLDWHVSSJ-RBBKRZOGSA-N 1 0 390.531 3.898 20 30 GHEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000540982485 837380030 /nfs/dbraw/zinc/38/00/30/837380030.db2.gz AAGDAZNOVCSGCF-SXSPYAJSSA-N 1 0 394.563 3.686 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](CCCC3(C#N)CCOCC3)C2)cc(OC)c1 ZINC000375615447 837837317 /nfs/dbraw/zinc/83/73/17/837837317.db2.gz ZMPVJWAZOVPUOV-GOSISDBHSA-N 1 0 387.524 3.681 20 30 GHEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCOc1ccc(C#N)cc1 ZINC000181155355 837857611 /nfs/dbraw/zinc/85/76/11/837857611.db2.gz XIEBAZOYPXFHST-INIZCTEOSA-N 1 0 385.895 3.617 20 30 GHEDRO C=CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1cccs1 ZINC000051262369 837942662 /nfs/dbraw/zinc/94/26/62/837942662.db2.gz FDQFZHUDOCAAOM-UHFFFAOYSA-N 1 0 397.588 3.825 20 30 GHEDRO Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC000415685836 837987464 /nfs/dbraw/zinc/98/74/64/837987464.db2.gz COERSUVCNAXSGE-LJQANCHMSA-N 1 0 376.504 3.783 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415802121 838127887 /nfs/dbraw/zinc/12/78/87/838127887.db2.gz HUTXXUQBZHTZEJ-YIONKMFJSA-N 1 0 394.313 3.761 20 30 GHEDRO N#CC1(COC(=O)c2ncsc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000893114725 838139482 /nfs/dbraw/zinc/13/94/82/838139482.db2.gz DMVPSVUJDVGPGT-UHFFFAOYSA-N 1 0 381.501 3.983 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[N@@H+]1C ZINC000610320999 838426809 /nfs/dbraw/zinc/42/68/09/838426809.db2.gz BFBGZZXDICXSMP-YJBOKZPZSA-N 1 0 379.464 3.692 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610322884 838444107 /nfs/dbraw/zinc/44/41/07/838444107.db2.gz CUUAUZZWHQPJNP-IBGZPJMESA-N 1 0 378.476 3.695 20 30 GHEDRO C=C(C)[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)OCC ZINC001125867634 838538705 /nfs/dbraw/zinc/53/87/05/838538705.db2.gz IFEKXYOEMDFEKC-SFHVURJKSA-N 1 0 386.458 3.967 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000048149548 844341635 /nfs/dbraw/zinc/34/16/35/844341635.db2.gz BUNLAWXWSLDQAF-OAQYLSRUSA-N 1 0 394.519 3.807 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000782967840 838558758 /nfs/dbraw/zinc/55/87/58/838558758.db2.gz CGSMGBMUTLLAAI-UHFFFAOYSA-N 1 0 395.528 3.538 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC000782969065 838565162 /nfs/dbraw/zinc/56/51/62/838565162.db2.gz VZLYPYWBPIPZOP-UHFFFAOYSA-N 1 0 387.545 3.881 20 30 GHEDRO CC[C@](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)(C(=O)OC)c1ccccc1 ZINC000414582676 838644695 /nfs/dbraw/zinc/64/46/95/838644695.db2.gz HDAYWKYRGFZEKB-XMMPIXPASA-N 1 0 391.515 3.638 20 30 GHEDRO CO/N=C/c1ccc(C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000275748051 838656439 /nfs/dbraw/zinc/65/64/39/838656439.db2.gz QOYQPGBAPYAAAW-QMFLXTPQSA-N 1 0 383.517 3.513 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Br)cc(F)nc1Br ZINC001218456759 838688248 /nfs/dbraw/zinc/68/82/48/838688248.db2.gz WLJJIEWICCTPAS-NXEZZACHSA-N 1 0 394.082 3.821 20 30 GHEDRO CCOC(=O)c1c(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)sc2c1CCC2 ZINC000580100118 838859909 /nfs/dbraw/zinc/85/99/09/838859909.db2.gz MJJRNYOQUTWJMH-CYBMUJFWSA-N 1 0 397.500 3.574 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613618820 838870423 /nfs/dbraw/zinc/87/04/23/838870423.db2.gz VBQKCXKOCADLSI-SJLPKXTDSA-N 1 0 382.430 3.643 20 30 GHEDRO CCc1ccccc1NC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccccc1CC ZINC000172580213 839110429 /nfs/dbraw/zinc/11/04/29/839110429.db2.gz HFUHQEFZOKFIRD-UHFFFAOYSA-O 1 0 393.536 3.883 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000549165314 839116675 /nfs/dbraw/zinc/11/66/75/839116675.db2.gz KKANZMYSUVVWIZ-GFCCVEGCSA-N 1 0 379.357 3.683 20 30 GHEDRO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000363830497 839140623 /nfs/dbraw/zinc/14/06/23/839140623.db2.gz XOQYECLEOIVYSR-VXKWHMMOSA-N 1 0 384.568 3.504 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000415074450 839170831 /nfs/dbraw/zinc/17/08/31/839170831.db2.gz AAFBRXLBFNFFSE-DOTOQJQBSA-N 1 0 394.475 3.950 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415111593 839212960 /nfs/dbraw/zinc/21/29/60/839212960.db2.gz ABTFKJQHROVBOT-MJGOQNOKSA-N 1 0 378.476 3.695 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1C ZINC000378504280 839245013 /nfs/dbraw/zinc/24/50/13/839245013.db2.gz OXESSLWLEWAJIE-URXFXBBRSA-N 1 0 391.515 3.918 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000415128687 839255409 /nfs/dbraw/zinc/25/54/09/839255409.db2.gz UCGMSKQDYSWBLH-UHFFFAOYSA-N 1 0 378.476 3.648 20 30 GHEDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000415130208 839256298 /nfs/dbraw/zinc/25/62/98/839256298.db2.gz WJGYIBRUAHLXNT-LJQANCHMSA-N 1 0 378.476 3.519 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccccc1C#N)c1cccc(OC)c1 ZINC000024460183 839288451 /nfs/dbraw/zinc/28/84/51/839288451.db2.gz BXGINFOCEIEARO-TWLJRWAQSA-N 1 0 377.488 3.779 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 ZINC000549446611 839416511 /nfs/dbraw/zinc/41/65/11/839416511.db2.gz UUIHNOIVKAFMBA-UHFFFAOYSA-N 1 0 390.409 3.744 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000177760757 839439796 /nfs/dbraw/zinc/43/97/96/839439796.db2.gz CNLDTYRZXKBOMN-YADHBBJMSA-N 1 0 389.499 3.836 20 30 GHEDRO NC(=[NH+]OCc1ccc(C(F)(F)F)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174125511 839463295 /nfs/dbraw/zinc/46/32/95/839463295.db2.gz WPWWCXXAUSXCJZ-UHFFFAOYSA-N 1 0 393.409 3.504 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000416676649 839520838 /nfs/dbraw/zinc/52/08/38/839520838.db2.gz YVAWXPDBCBHGHY-HSZRJFAPSA-N 1 0 388.515 3.899 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000377462275 839560554 /nfs/dbraw/zinc/56/05/54/839560554.db2.gz CSXRBFTXCMSLMZ-UHFFFAOYSA-N 1 0 399.583 3.507 20 30 GHEDRO N#Cc1ccnc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1Cl ZINC000561130805 839612400 /nfs/dbraw/zinc/61/24/00/839612400.db2.gz NHRLUWGUMSFMQW-UHFFFAOYSA-N 1 0 383.927 3.617 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCS[C@@H](C)[C@H]3C)sc2C1 ZINC001167412513 839687997 /nfs/dbraw/zinc/68/79/97/839687997.db2.gz MFXAQRJGWQHJRB-MCIONIFRSA-N 1 0 377.579 3.899 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C1CCOCC1 ZINC000580667700 839983812 /nfs/dbraw/zinc/98/38/12/839983812.db2.gz GSLNPBPSPZTSGB-NRFANRHFSA-N 1 0 394.519 3.699 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cn2)CCO1 ZINC000580749610 840128889 /nfs/dbraw/zinc/12/88/89/840128889.db2.gz KEXNFAFBYKPRLP-HTAPYJJXSA-N 1 0 376.504 3.736 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000053721528 840355517 /nfs/dbraw/zinc/35/55/17/840355517.db2.gz JAGRDDLUMLXLMW-UHFFFAOYSA-N 1 0 380.488 3.608 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177848641 840369296 /nfs/dbraw/zinc/36/92/96/840369296.db2.gz RDJXHVGSSQIFNE-UHFFFAOYSA-N 1 0 391.515 3.539 20 30 GHEDRO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511731048 840582918 /nfs/dbraw/zinc/58/29/18/840582918.db2.gz MPOQKOJVRVPGLW-WTIAFYNJSA-N 1 0 378.516 3.752 20 30 GHEDRO COc1ccccc1O[C@@H](C)CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160741609 840647257 /nfs/dbraw/zinc/64/72/57/840647257.db2.gz BSCPKXQOWFQDJZ-LBPRGKRZSA-N 1 0 383.370 3.788 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1OCCCC#N ZINC000064613946 840670599 /nfs/dbraw/zinc/67/05/99/840670599.db2.gz BEYPGYARUFGYQY-FQEVSTJZSA-N 1 0 379.504 3.994 20 30 GHEDRO C[C@H](O)C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000160756473 840672534 /nfs/dbraw/zinc/67/25/34/840672534.db2.gz FPOANFSZYJKOBN-DZGCQCFKSA-N 1 0 381.398 3.867 20 30 GHEDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000584749711 840751273 /nfs/dbraw/zinc/75/12/73/840751273.db2.gz XSJXUTVVPNTXCJ-INIZCTEOSA-N 1 0 375.394 3.954 20 30 GHEDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000610490476 840953148 /nfs/dbraw/zinc/95/31/48/840953148.db2.gz ZBNCRWBGILZHNF-IBGZPJMESA-N 1 0 395.528 3.550 20 30 GHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000417603688 841048658 /nfs/dbraw/zinc/04/86/58/841048658.db2.gz SMHUBBFRXDZFHV-ATIQYGATSA-N 1 0 392.503 3.767 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc2c(c1)CCCC2 ZINC000027059430 841204859 /nfs/dbraw/zinc/20/48/59/841204859.db2.gz SCYQZTAFJWJHAJ-UHFFFAOYSA-O 1 0 381.521 3.576 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000027311591 841371848 /nfs/dbraw/zinc/37/18/48/841371848.db2.gz YOCUNPRFRWUBPI-UHFFFAOYSA-O 1 0 395.548 3.966 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000027305382 841377958 /nfs/dbraw/zinc/37/79/58/841377958.db2.gz FCOJSKVREVJRNQ-UHFFFAOYSA-O 1 0 391.516 3.754 20 30 GHEDRO C[C@@H](NC(=O)NCC1(C)CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418004522 841383550 /nfs/dbraw/zinc/38/35/50/841383550.db2.gz ZRHFNRDCMYZXHS-QGZVFWFLSA-N 1 0 376.504 3.975 20 30 GHEDRO O=C(Nc1cccc2cc(Br)cnc21)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329246799 861198007 /nfs/dbraw/zinc/19/80/07/861198007.db2.gz RIZULPMLWUVLGH-ZBFHGGJFSA-N 1 0 389.297 3.950 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000661116036 841410186 /nfs/dbraw/zinc/41/01/86/841410186.db2.gz HBPPNEKIZLRVAD-CZUORRHYSA-N 1 0 376.298 3.682 20 30 GHEDRO O=C(Nc1ccnc(OCC(F)(F)F)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000329248989 861201262 /nfs/dbraw/zinc/20/12/62/861201262.db2.gz WWQWXPUSZWQMIZ-XJKSGUPXSA-N 1 0 398.429 3.517 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1OC ZINC000623562821 861206770 /nfs/dbraw/zinc/20/67/70/861206770.db2.gz DHTYKGYXAATGKN-XYJFISCASA-N 1 0 383.916 3.569 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000123167183 841604491 /nfs/dbraw/zinc/60/44/91/841604491.db2.gz GFNZVYYIKIVQLN-RXVVDRJESA-N 1 0 391.515 3.682 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000581568117 841679621 /nfs/dbraw/zinc/67/96/21/841679621.db2.gz XWLHSGJVOBVHGF-VQIMIIECSA-N 1 0 378.476 3.741 20 30 GHEDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000178067122 841709947 /nfs/dbraw/zinc/70/99/47/841709947.db2.gz RVYKIQKCWZSZHX-UHFFFAOYSA-N 1 0 391.487 3.593 20 30 GHEDRO Cc1cccc(NC(=O)[C@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c1C ZINC000255325398 841713033 /nfs/dbraw/zinc/71/30/33/841713033.db2.gz LWDIRZZBURZDEW-SFHVURJKSA-N 1 0 381.476 3.518 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CCC[NH2+]1 ZINC000662862316 841818481 /nfs/dbraw/zinc/81/84/81/841818481.db2.gz KHWRBOBMMCFEGO-IBGZPJMESA-N 1 0 388.309 3.513 20 30 GHEDRO C=CCCC1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000661529847 841852090 /nfs/dbraw/zinc/85/20/90/841852090.db2.gz BILVKNIUCVLQNP-WOJBJXKFSA-N 1 0 377.573 3.580 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccccc1 ZINC000046873972 841900361 /nfs/dbraw/zinc/90/03/61/841900361.db2.gz MVNSLNNDEJQGPH-UHFFFAOYSA-N 1 0 378.520 3.609 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000843676291 842154343 /nfs/dbraw/zinc/15/43/43/842154343.db2.gz ZZCBKBMMORZZHN-FXAWDEMLSA-N 1 0 378.438 3.703 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000548210829 842170446 /nfs/dbraw/zinc/17/04/46/842170446.db2.gz LNMCCLREMZYGRA-FCHUYYIVSA-N 1 0 399.498 3.998 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661782251 842170800 /nfs/dbraw/zinc/17/08/00/842170800.db2.gz WEGFWTVSONVBDE-QZTJIDSGSA-N 1 0 384.549 3.638 20 30 GHEDRO N#Cc1cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1F ZINC000585747065 842239803 /nfs/dbraw/zinc/23/98/03/842239803.db2.gz KXHGXVZAORFQGL-CZTZKLFOSA-N 1 0 377.463 3.728 20 30 GHEDRO C=CCC1([NH2+]Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CCCC1 ZINC000661866816 842255047 /nfs/dbraw/zinc/25/50/47/842255047.db2.gz WFZYIIZIYBDAEQ-UHFFFAOYSA-N 1 0 390.553 3.572 20 30 GHEDRO COc1cc2c(cc1OC)CC[NH+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000512046237 842315988 /nfs/dbraw/zinc/31/59/88/842315988.db2.gz RHNCGRPBXSHHKR-UHFFFAOYSA-N 1 0 380.488 3.987 20 30 GHEDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000512067895 842397198 /nfs/dbraw/zinc/39/71/98/842397198.db2.gz NUJXPDDXJOSTFS-QHCPKHFHSA-N 1 0 391.515 3.970 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526114 861311412 /nfs/dbraw/zinc/31/14/12/861311412.db2.gz FCANLFQITIXJPB-HOCLYGCPSA-N 1 0 383.355 3.916 20 30 GHEDRO N#C[C@H]1CC[C@H](Nc2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)CC1 ZINC001167844169 842483135 /nfs/dbraw/zinc/48/31/35/842483135.db2.gz KSNQFOJGBGZTIZ-BZSNNMDCSA-N 1 0 392.507 3.691 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000326396919 842517212 /nfs/dbraw/zinc/51/72/12/842517212.db2.gz PKSUPZPOGSXTSK-UHFFFAOYSA-N 1 0 389.249 3.968 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000328845105 842555090 /nfs/dbraw/zinc/55/50/90/842555090.db2.gz AAYWGDVQBBUXFK-NRFANRHFSA-N 1 0 395.551 3.935 20 30 GHEDRO C[C@H]1CCCC[C@@H]1CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000512119623 842558364 /nfs/dbraw/zinc/55/83/64/842558364.db2.gz SPWXWCHJUVGGPJ-SIKLNZKXSA-N 1 0 382.552 3.992 20 30 GHEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1n1ccnc1 ZINC000156444375 842581218 /nfs/dbraw/zinc/58/12/18/842581218.db2.gz KIUZEQVUUUMGEF-YJBOKZPZSA-N 1 0 397.548 3.607 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610558020 842610856 /nfs/dbraw/zinc/61/08/56/842610856.db2.gz LYBVBKHBAWVOGK-GOSISDBHSA-N 1 0 393.491 3.941 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCCC1 ZINC000603888246 861332947 /nfs/dbraw/zinc/33/29/47/861332947.db2.gz KBNMNFOZTRINGA-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000652562339 842742647 /nfs/dbraw/zinc/74/26/47/842742647.db2.gz YMQGOYNDAJFCTH-VNYTWHDVSA-N 1 0 395.551 3.803 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000613964965 842749214 /nfs/dbraw/zinc/74/92/14/842749214.db2.gz MGWJLXPFVZKJDF-XUVXKRRUSA-N 1 0 395.572 3.719 20 30 GHEDRO Cc1ccc(NC(=O)c2nnc(CN3C[C@H]4CCCC[N@H+]4C[C@@H]3C)s2)cc1 ZINC000329378206 861350029 /nfs/dbraw/zinc/35/00/29/861350029.db2.gz MKNPHJXRGHFJNQ-DOTOQJQBSA-N 1 0 385.537 3.541 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000328900843 842855446 /nfs/dbraw/zinc/85/54/46/842855446.db2.gz YIUPDMKAFUFLAC-WIYYLYMNSA-N 1 0 395.551 3.935 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1OC ZINC000510520030 842903003 /nfs/dbraw/zinc/90/30/03/842903003.db2.gz DGHQTQQGTDQHHO-VGOFRKELSA-N 1 0 382.504 3.990 20 30 GHEDRO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C2CCC(O)CC2)c1 ZINC000567989709 842933209 /nfs/dbraw/zinc/93/32/09/842933209.db2.gz ODQYILJQIWQIQT-UHFFFAOYSA-N 1 0 395.459 3.781 20 30 GHEDRO C[N@H+](CCNC(=O)[C@H]1CCCCN1C(=O)c1cccs1)C1CCCCC1 ZINC000328931182 842933746 /nfs/dbraw/zinc/93/37/46/842933746.db2.gz ZMGRFBHSNIQBAS-QGZVFWFLSA-N 1 0 377.554 3.964 20 30 GHEDRO C[N@H+](CCNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)C1CCCCC1 ZINC000328931181 842933848 /nfs/dbraw/zinc/93/38/48/842933848.db2.gz ZMGRFBHSNIQBAS-KRWDZBQOSA-N 1 0 377.554 3.964 20 30 GHEDRO O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329391719 861368057 /nfs/dbraw/zinc/36/80/57/861368057.db2.gz VLVCFYGMQIXFFD-CRAIPNDOSA-N 1 0 377.448 3.652 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000599596603 861383555 /nfs/dbraw/zinc/38/35/55/861383555.db2.gz CNQQCOLUDHSUEX-WMLDXEAASA-N 1 0 380.448 3.621 20 30 GHEDRO C[C@@H]1[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CCC12CCOCC2 ZINC000329415039 861390753 /nfs/dbraw/zinc/39/07/53/861390753.db2.gz FWLYNEJZODXOJO-BZSISCHUSA-N 1 0 389.540 3.717 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000555606623 861397958 /nfs/dbraw/zinc/39/79/58/861397958.db2.gz MYFLSOPGGHWCRR-LBPRGKRZSA-N 1 0 393.281 3.974 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000602873151 843300619 /nfs/dbraw/zinc/30/06/19/843300619.db2.gz HCYRWKCJTMXEGO-LPHOPBHVSA-N 1 0 388.581 3.681 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)CCC[NH2+]1 ZINC000662472512 843302710 /nfs/dbraw/zinc/30/27/10/843302710.db2.gz NJGDTEGMWPDRNW-JOCHJYFZSA-N 1 0 397.450 3.723 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000512294076 843338209 /nfs/dbraw/zinc/33/82/09/843338209.db2.gz VNSUZLJONYDFOK-UHFFFAOYSA-N 1 0 382.479 3.668 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000510748611 843397415 /nfs/dbraw/zinc/39/74/15/843397415.db2.gz QJLIVZWDMOJSBF-MOPGFXCFSA-N 1 0 398.551 3.885 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000471907829 843412469 /nfs/dbraw/zinc/41/24/69/843412469.db2.gz AIKXCFIOBPTTPF-UNMCSNQZSA-N 1 0 387.568 3.911 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)nc1 ZINC000092004541 843543215 /nfs/dbraw/zinc/54/32/15/843543215.db2.gz HVLJKKGZGGDQAI-HXUWFJFHSA-N 1 0 392.503 3.923 20 30 GHEDRO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000092034441 843553517 /nfs/dbraw/zinc/55/35/17/843553517.db2.gz OPIQWDILVMQXJW-QGZVFWFLSA-N 1 0 394.471 3.542 20 30 GHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000091685809 843638070 /nfs/dbraw/zinc/63/80/70/843638070.db2.gz LIKMQKUKLLASMZ-FQEVSTJZSA-N 1 0 392.503 3.923 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418794670 843638922 /nfs/dbraw/zinc/63/89/22/843638922.db2.gz RKYTVWUGSBVEIM-GHTZIAJQSA-N 1 0 380.467 3.537 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000413419958 843639517 /nfs/dbraw/zinc/63/95/17/843639517.db2.gz OCEVWQWMENHEMI-XPWALMASSA-N 1 0 388.515 3.570 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000178395313 843641782 /nfs/dbraw/zinc/64/17/82/843641782.db2.gz WOBQBRJNUGVNFH-IBGZPJMESA-N 1 0 383.517 3.710 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000563123266 843696807 /nfs/dbraw/zinc/69/68/07/843696807.db2.gz FQRGHQDFUHOYTM-HNNXBMFYSA-N 1 0 386.569 3.597 20 30 GHEDRO CN(C(=O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)C1(C#N)CCCCC1 ZINC000599665815 861457126 /nfs/dbraw/zinc/45/71/26/861457126.db2.gz MDRVLVDACZFVDJ-KRWDZBQOSA-N 1 0 398.334 3.691 20 30 GHEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000512443812 843819391 /nfs/dbraw/zinc/81/93/91/843819391.db2.gz HQCPFCJAMCGAEU-HZPDHXFCSA-N 1 0 389.565 3.843 20 30 GHEDRO Cc1cc(-c2noc([C@@H](c3cc4ccccc4[nH]3)N3CC[C@@H]([NH3+])C3)n2)ccc1C#N ZINC001211812172 843835721 /nfs/dbraw/zinc/83/57/21/843835721.db2.gz XTHXZXFXLOTPPE-WIYYLYMNSA-N 1 0 398.470 3.520 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000433280521 843952329 /nfs/dbraw/zinc/95/23/29/843952329.db2.gz ZWUZROABBOUIGB-UHFFFAOYSA-N 1 0 396.922 3.748 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H](O)COCC(F)(F)F)cc1 ZINC000432821285 843965874 /nfs/dbraw/zinc/96/58/74/843965874.db2.gz WOATZYRMGQCNEG-IBGZPJMESA-N 1 0 396.384 3.639 20 30 GHEDRO CC(C)[NH+](CCn1c(SCC2(C#N)CC2)nc2ccccc2c1=O)C(C)C ZINC000500762053 843971153 /nfs/dbraw/zinc/97/11/53/843971153.db2.gz CBJZOONXWYQXQR-UHFFFAOYSA-N 1 0 384.549 3.911 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)cc1Cl ZINC000433320466 844010140 /nfs/dbraw/zinc/01/01/40/844010140.db2.gz UOIUGKJOYIYIID-FQEVSTJZSA-N 1 0 383.879 3.644 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c(O)c(OC)c1 ZINC000178863353 844890448 /nfs/dbraw/zinc/89/04/48/844890448.db2.gz WXDLCYPRAFSCQY-UHFFFAOYSA-N 1 0 386.517 3.539 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)cc1F ZINC000512653496 844897319 /nfs/dbraw/zinc/89/73/19/844897319.db2.gz FPBCLLYTPNHGQX-YPMHNXCESA-N 1 0 375.806 3.946 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000433033035 845026710 /nfs/dbraw/zinc/02/67/10/845026710.db2.gz OIGCWBNFJZNFAK-IBGZPJMESA-N 1 0 378.432 3.509 20 30 GHEDRO COc1ccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1C#N ZINC000126173538 845128481 /nfs/dbraw/zinc/12/84/81/845128481.db2.gz DIEXUNOYCRQOQU-UHFFFAOYSA-N 1 0 392.503 3.993 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000513253942 845151222 /nfs/dbraw/zinc/15/12/22/845151222.db2.gz GCVHOWVOBWDWCI-QFIPXVFZSA-N 1 0 391.515 3.888 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(C)sc1Br)C(C)C ZINC000411370414 845357326 /nfs/dbraw/zinc/35/73/26/845357326.db2.gz TZDBTPDBWUTRJV-ZDUSSCGKSA-N 1 0 386.359 3.642 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1C#N ZINC000513421180 845393422 /nfs/dbraw/zinc/39/34/22/845393422.db2.gz UFSORIXRBDGQBB-IBGZPJMESA-N 1 0 380.398 3.526 20 30 GHEDRO Cc1cc(-c2noc([C@H](c3cc4ccccc4o3)N3CC[C@H]([NH3+])C3)n2)ccc1C#N ZINC001211779083 845444873 /nfs/dbraw/zinc/44/48/73/845444873.db2.gz RIUAZXBEARDSCD-RXVVDRJESA-N 1 0 399.454 3.785 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2ccnn2C)C1 ZINC000329515321 861572007 /nfs/dbraw/zinc/57/20/07/861572007.db2.gz YMZSBBOKGVRFHN-SLYNCCJLSA-N 1 0 381.524 3.697 20 30 GHEDRO Cc1noc([C@H]2CCCCN2C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000329520415 861586006 /nfs/dbraw/zinc/58/60/06/861586006.db2.gz FKKXDRVRQSWQGJ-CTWPCTMYSA-N 1 0 389.544 3.862 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1C#N ZINC000538953305 845750615 /nfs/dbraw/zinc/75/06/15/845750615.db2.gz DBEUSXHDIHCTRC-INIZCTEOSA-N 1 0 377.366 3.634 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccnc(Oc3ccc(F)cc3)c2)c1 ZINC000104183232 845809824 /nfs/dbraw/zinc/80/98/24/845809824.db2.gz GCRPPLQQSXGVRI-UHFFFAOYSA-N 1 0 396.422 3.957 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000158088874 845905899 /nfs/dbraw/zinc/90/58/99/845905899.db2.gz JIYIVDDSMBVYQZ-UHFFFAOYSA-N 1 0 380.488 3.874 20 30 GHEDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001167518104 846029550 /nfs/dbraw/zinc/02/95/50/846029550.db2.gz UDIHSQXUOXVZKN-WHRZTLTBSA-N 1 0 385.552 3.670 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C)C[C@H]2c2ccccc2F)c1 ZINC001167535350 846096913 /nfs/dbraw/zinc/09/69/13/846096913.db2.gz VEJQBYQIAYVGKQ-YWZLYKJASA-N 1 0 379.435 3.538 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](C)C[C@H]2c2ccccc2F)c1 ZINC001167535349 846096942 /nfs/dbraw/zinc/09/69/42/846096942.db2.gz VEJQBYQIAYVGKQ-QRWLVFNGSA-N 1 0 379.435 3.538 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](COc2ccccc2)c2ccccc2)cc1 ZINC000539317789 846138015 /nfs/dbraw/zinc/13/80/15/846138015.db2.gz AYMKVBZFFQWIAY-QPPBQGQZSA-N 1 0 388.467 3.708 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)c2)c1 ZINC000421358271 846171852 /nfs/dbraw/zinc/17/18/52/846171852.db2.gz BDRSUIHMBRXIJB-CYWCHRQTSA-N 1 0 377.488 3.519 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1F ZINC000421363160 846175795 /nfs/dbraw/zinc/17/57/95/846175795.db2.gz KSJQKWXMEDAIPM-HNNXBMFYSA-N 1 0 382.357 3.537 20 30 GHEDRO C[C@H]1C[NH+](CCCNc2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@H](C)O1 ZINC000072018800 846236655 /nfs/dbraw/zinc/23/66/55/846236655.db2.gz SDCHEFZBHGXPJT-KBPBESRZSA-N 1 0 390.434 3.619 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000604036040 861654733 /nfs/dbraw/zinc/65/47/33/861654733.db2.gz POCBLYOASAMSMY-QZTJIDSGSA-N 1 0 397.544 3.515 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC2CCOCC2)[n+]2cccc(C)c2)cc1 ZINC000280503672 846418722 /nfs/dbraw/zinc/41/87/22/846418722.db2.gz CXVUZLUYIRRLAL-UHFFFAOYSA-O 1 0 397.564 3.942 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(CCC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000280491705 846422429 /nfs/dbraw/zinc/42/24/29/846422429.db2.gz BQDGRBFBNWFUKH-UHFFFAOYSA-O 1 0 384.569 3.931 20 30 GHEDRO Cc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)n2c3ccccc3nc2c1C#N ZINC000072098606 846431001 /nfs/dbraw/zinc/43/10/01/846431001.db2.gz AYVUAMSKXZGEFY-UHFFFAOYSA-N 1 0 397.482 3.695 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000684767706 846448559 /nfs/dbraw/zinc/44/85/59/846448559.db2.gz PYBJBNNDZFEIQW-NQIIRXRSSA-N 1 0 399.560 3.718 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000421685488 846466925 /nfs/dbraw/zinc/46/69/25/846466925.db2.gz RWHZVYWGEWWNQR-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000502843518 846536016 /nfs/dbraw/zinc/53/60/16/846536016.db2.gz NIAXVYKKXWBNIM-LJQANCHMSA-N 1 0 393.487 3.821 20 30 GHEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000502856387 846552060 /nfs/dbraw/zinc/55/20/60/846552060.db2.gz NQJXCJYLLRRLES-FUHIMQAGSA-N 1 0 398.551 3.524 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000684782700 846553368 /nfs/dbraw/zinc/55/33/68/846553368.db2.gz OYXHJZKCTQFQGN-JQVVWYNYSA-N 1 0 386.536 3.651 20 30 GHEDRO CC(C)C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[NH+](C)C ZINC000511087585 846560310 /nfs/dbraw/zinc/56/03/10/846560310.db2.gz ZEEFQWIFJMJUEL-OAQYLSRUSA-N 1 0 379.504 3.843 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366421155 846668015 /nfs/dbraw/zinc/66/80/15/846668015.db2.gz OKRONJAWIYIBAY-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1=CC[N@H+](C)CC1 ZINC000611583140 846668183 /nfs/dbraw/zinc/66/81/83/846668183.db2.gz DNQBKDBRAYFHHZ-HNNXBMFYSA-N 1 0 377.448 3.517 20 30 GHEDRO COc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(F)cc1C#N ZINC000599816267 861714247 /nfs/dbraw/zinc/71/42/47/861714247.db2.gz KXQCFVMYJJYNAD-CRAIPNDOSA-N 1 0 396.466 3.881 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C#N)c(F)c3)C2)cc(OC)c1 ZINC000540708385 846898708 /nfs/dbraw/zinc/89/87/08/846898708.db2.gz WHBQGYMUQGFZJT-DNVCBOLYSA-N 1 0 383.467 3.640 20 30 GHEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000271733541 846906139 /nfs/dbraw/zinc/90/61/39/846906139.db2.gz NTUMJYVURAAYMV-QMHKHESXSA-N 1 0 377.488 3.821 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599820776 861731629 /nfs/dbraw/zinc/73/16/29/861731629.db2.gz ZYAFCFATIBJKOS-UHFFFAOYSA-N 1 0 384.455 3.869 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(CCCC)cc2)C(C)C)CC1 ZINC000555750289 861732502 /nfs/dbraw/zinc/73/25/02/861732502.db2.gz ZERGFGIARXIPDS-JOCHJYFZSA-N 1 0 399.579 3.609 20 30 GHEDRO CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000501570603 847012872 /nfs/dbraw/zinc/01/28/72/847012872.db2.gz KQPKDRADLJFZMD-UHFFFAOYSA-N 1 0 382.430 3.699 20 30 GHEDRO CCCn1nccc1C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000501551101 847013356 /nfs/dbraw/zinc/01/33/56/847013356.db2.gz MSEUMIFEAXTCGJ-IBGZPJMESA-N 1 0 393.535 3.808 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000481569099 861749341 /nfs/dbraw/zinc/74/93/41/861749341.db2.gz MLBSBBKVJZGSTR-UWJYYQICSA-N 1 0 375.415 3.814 20 30 GHEDRO Cc1oc(-c2ccccc2)nc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000329605520 861754554 /nfs/dbraw/zinc/75/45/54/861754554.db2.gz MDGPFCKZLNVIRJ-UHFFFAOYSA-N 1 0 396.535 3.905 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000272642150 847132328 /nfs/dbraw/zinc/13/23/28/847132328.db2.gz ONMHDRONGZVJLV-MJGOQNOKSA-N 1 0 386.540 3.772 20 30 GHEDRO N#CC(CC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)(c1ccccc1)c1ccccc1 ZINC000555762057 861777877 /nfs/dbraw/zinc/77/78/77/861777877.db2.gz WBFOYDGGXNDROE-NOZRDPDXSA-N 1 0 390.527 3.796 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000509962617 847363986 /nfs/dbraw/zinc/36/39/86/847363986.db2.gz DOVWVDRLTMTQRC-QFIPXVFZSA-N 1 0 391.515 3.692 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCOc3ccc(F)cc3)CC2)c1 ZINC000502166977 847546536 /nfs/dbraw/zinc/54/65/36/847546536.db2.gz AXAIOAINTXYGIH-UHFFFAOYSA-N 1 0 381.451 3.817 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113343381 847550888 /nfs/dbraw/zinc/55/08/88/847550888.db2.gz OFHVKMNVRNSHPR-LJQANCHMSA-N 1 0 395.507 3.563 20 30 GHEDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000503291403 847567090 /nfs/dbraw/zinc/56/70/90/847567090.db2.gz LZTDBVAHMKWECA-FQEVSTJZSA-N 1 0 388.471 3.566 20 30 GHEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(CN2CCOCC2)c1 ZINC000420966981 847584974 /nfs/dbraw/zinc/58/49/74/847584974.db2.gz SGRIVGBBKICADM-UHFFFAOYSA-N 1 0 382.552 3.875 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccsc1 ZINC000479381235 847629009 /nfs/dbraw/zinc/62/90/09/847629009.db2.gz JYZGXEMCBJXWFB-IBGZPJMESA-N 1 0 382.533 3.991 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000502281196 847688937 /nfs/dbraw/zinc/68/89/37/847688937.db2.gz OPFTXIFEQWJDCL-FQEVSTJZSA-N 1 0 380.517 3.721 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(C)(C)C[NH+](C)C ZINC000562105498 847820224 /nfs/dbraw/zinc/82/02/24/847820224.db2.gz QUZZPTHPQKPPQH-OAHLLOKOSA-N 1 0 381.480 3.843 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000048807450 847913067 /nfs/dbraw/zinc/91/30/67/847913067.db2.gz XQKKCQOUKSWSKJ-UHFFFAOYSA-N 1 0 376.504 3.790 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cn2c(cccc2C)n1 ZINC000503724085 847922957 /nfs/dbraw/zinc/92/29/57/847922957.db2.gz SMYXFIIJCXBQPX-UHFFFAOYSA-N 1 0 396.564 3.741 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COc1c(OC)cccc1OC)c1ccc(F)c(F)c1 ZINC000481617706 861865227 /nfs/dbraw/zinc/86/52/27/861865227.db2.gz WNIKALAGLHYSLD-YWZLYKJASA-N 1 0 393.430 3.629 20 30 GHEDRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000153271867 848325726 /nfs/dbraw/zinc/32/57/26/848325726.db2.gz CZNYPXPTLGBSEQ-SFHVURJKSA-N 1 0 377.488 3.680 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000604147716 861892721 /nfs/dbraw/zinc/89/27/21/861892721.db2.gz BVPLZKBBPYYGDP-JOCHJYFZSA-N 1 0 379.504 3.600 20 30 GHEDRO CC(C)(C#N)CNC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000501866429 861903595 /nfs/dbraw/zinc/90/35/95/861903595.db2.gz ADUSKBATFYUZIT-UHFFFAOYSA-N 1 0 383.323 3.807 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000599942457 861904048 /nfs/dbraw/zinc/90/40/48/861904048.db2.gz SYHMBTJUEOOZGN-RTBURBONSA-N 1 0 396.560 3.805 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)COc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000731833911 861915567 /nfs/dbraw/zinc/91/55/67/861915567.db2.gz KWLJSDVOFLPLNM-SFHVURJKSA-N 1 0 377.488 3.717 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000582875004 848623972 /nfs/dbraw/zinc/62/39/72/848623972.db2.gz YCVJSHDRPURNLC-XMSQKQJNSA-N 1 0 379.504 3.577 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)ccc1C#N ZINC000582897576 848670471 /nfs/dbraw/zinc/67/04/71/848670471.db2.gz SKJHVQBVRHXOIK-INIZCTEOSA-N 1 0 386.293 3.698 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000481667805 861971115 /nfs/dbraw/zinc/97/11/15/861971115.db2.gz KJLNZSBFQZUJGH-OPAMFIHVSA-N 1 0 397.544 3.927 20 30 GHEDRO C[C@H]1C[N@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC(C)(C)C1 ZINC000329679259 862011858 /nfs/dbraw/zinc/01/18/58/862011858.db2.gz XILWOFKWKCGTRO-QGZVFWFLSA-N 1 0 377.573 3.882 20 30 GHEDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000731993258 862016695 /nfs/dbraw/zinc/01/66/95/862016695.db2.gz FMUPSMINUAWSFG-FQEVSTJZSA-N 1 0 398.466 3.879 20 30 GHEDRO N#Cc1ccc(NCC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)cc1 ZINC000593839716 862045588 /nfs/dbraw/zinc/04/55/88/862045588.db2.gz WYQVCZGZEDELML-UHFFFAOYSA-N 1 0 380.517 3.797 20 30 GHEDRO C=CCCn1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)nn1 ZINC000583376994 849751611 /nfs/dbraw/zinc/75/16/11/849751611.db2.gz RNIVJBDPEJUZRW-UHFFFAOYSA-N 1 0 393.535 3.515 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000504081132 849887550 /nfs/dbraw/zinc/88/75/50/849887550.db2.gz MXDUVVDYOIXNOO-QHCPKHFHSA-N 1 0 388.515 3.530 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000514579767 850020430 /nfs/dbraw/zinc/02/04/30/850020430.db2.gz JNHHNPAMXJWSIY-BHIFYINESA-N 1 0 382.552 3.990 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(C[NH+](C)C)CCC2)cc1 ZINC000439522509 850073000 /nfs/dbraw/zinc/07/30/00/850073000.db2.gz WLALATBGSWAWHK-UHFFFAOYSA-N 1 0 394.475 3.965 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C(F)(F)F)nc2n1CCCC2)C(C)C ZINC000668682502 850082217 /nfs/dbraw/zinc/08/22/17/850082217.db2.gz IJSHSWJKWGDIOH-HNNXBMFYSA-N 1 0 398.473 3.667 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000435111657 850093205 /nfs/dbraw/zinc/09/32/05/850093205.db2.gz QXVQYCQOPZEFCI-HSZRJFAPSA-N 1 0 398.595 3.894 20 30 GHEDRO N#CCCn1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c(-c2ccncc2)n1 ZINC000435130121 850111266 /nfs/dbraw/zinc/11/12/66/850111266.db2.gz OADPMRJDRSDBAY-NRFANRHFSA-N 1 0 379.508 3.782 20 30 GHEDRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435136361 850119887 /nfs/dbraw/zinc/11/98/87/850119887.db2.gz BDLWIUHIMOLDEP-HTAPYJJXSA-N 1 0 387.487 3.683 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)s1 ZINC000486873522 850197224 /nfs/dbraw/zinc/19/72/24/850197224.db2.gz LZGLYEKTXRSXEP-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000439645873 850223804 /nfs/dbraw/zinc/22/38/04/850223804.db2.gz KJHDWNJJCDRDKV-QXAKKESOSA-N 1 0 376.566 3.979 20 30 GHEDRO Cc1sc([C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N)nc1-c1ccc(Cl)cc1 ZINC000424131157 850256842 /nfs/dbraw/zinc/25/68/42/850256842.db2.gz VYTUPNCQMDPLAK-IAQYHMDHSA-N 1 0 376.913 3.970 20 30 GHEDRO CCCc1c(NC(=O)NC2CC[NH+](CCC)CC2)cnn1-c1cccc(C#N)c1 ZINC000439675634 850262619 /nfs/dbraw/zinc/26/26/19/850262619.db2.gz UEWRIBQPCYRGOS-UHFFFAOYSA-N 1 0 394.523 3.692 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCO[C@H]2C=C)cc1OC ZINC000424179941 850265681 /nfs/dbraw/zinc/26/56/81/850265681.db2.gz ZQBFXFPAEAVTOB-HOCLYGCPSA-N 1 0 382.298 3.703 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000424173290 850277568 /nfs/dbraw/zinc/27/75/68/850277568.db2.gz MTUFOTJUHSGTQM-KSSFIOAISA-N 1 0 375.469 3.648 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000424173273 850277705 /nfs/dbraw/zinc/27/77/05/850277705.db2.gz MRGBCCQXVLIIRI-HOCLYGCPSA-N 1 0 384.314 3.927 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000504743338 850279779 /nfs/dbraw/zinc/27/97/79/850279779.db2.gz VNBZLLMIIVQQBR-HSZRJFAPSA-N 1 0 389.499 3.593 20 30 GHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000048199090 850284652 /nfs/dbraw/zinc/28/46/52/850284652.db2.gz YOYGEQNPKACRGJ-UHFFFAOYSA-N 1 0 379.460 3.570 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424200737 850288638 /nfs/dbraw/zinc/28/86/38/850288638.db2.gz RGBJYXPNSZHRQO-FUHWJXTLSA-N 1 0 381.432 3.964 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000424240057 850328189 /nfs/dbraw/zinc/32/81/89/850328189.db2.gz HZABFALGGQISIY-AEFFLSMTSA-N 1 0 375.586 3.733 20 30 GHEDRO COc1cc(Br)c(C[NH2+]CCOc2ccc(C#N)cc2)cc1OC ZINC000174559708 850424653 /nfs/dbraw/zinc/42/46/53/850424653.db2.gz WRJOMIOIVRYKCN-UHFFFAOYSA-N 1 0 391.265 3.507 20 30 GHEDRO C=CCc1cc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc(OC)c1O ZINC000435394883 850463493 /nfs/dbraw/zinc/46/34/93/850463493.db2.gz PMYVSDOHFMAUSS-OAQYLSRUSA-N 1 0 381.520 3.669 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(CC#N)cc3)cc2)C1 ZINC000514933980 850503587 /nfs/dbraw/zinc/50/35/87/850503587.db2.gz GAKQYPJXPWSVGC-IBGZPJMESA-N 1 0 390.531 3.984 20 30 GHEDRO C#CCCCc1nnc(N2CCC(CC)([NH+](C)C)CC2)n1Cc1ccccc1 ZINC000908983242 850519362 /nfs/dbraw/zinc/51/93/62/850519362.db2.gz VAXFMHSMAPUPJR-UHFFFAOYSA-N 1 0 379.552 3.593 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000505035887 850549991 /nfs/dbraw/zinc/54/99/91/850549991.db2.gz QSLHDRMHRGNDKD-UHFFFAOYSA-N 1 0 392.547 3.874 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)C2)C1 ZINC000505702144 850588721 /nfs/dbraw/zinc/58/87/21/850588721.db2.gz VZCFHAAJIURJOB-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO N#CCCC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000487252113 850621410 /nfs/dbraw/zinc/62/14/10/850621410.db2.gz PCCCWZKPCPVRRB-HSZRJFAPSA-N 1 0 390.531 3.750 20 30 GHEDRO N#Cc1cccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000487300898 850664517 /nfs/dbraw/zinc/66/45/17/850664517.db2.gz RRDGAGMRAXNJHD-FQEVSTJZSA-N 1 0 387.405 3.629 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000909285394 850688934 /nfs/dbraw/zinc/68/89/34/850688934.db2.gz JDKAQOHKLHBVQI-LJQANCHMSA-N 1 0 387.572 3.941 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000425405839 850803593 /nfs/dbraw/zinc/80/35/93/850803593.db2.gz ODXDQZZLWVCLGV-JEEBJRHZSA-N 1 0 385.552 3.555 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425405840 850803609 /nfs/dbraw/zinc/80/36/09/850803609.db2.gz ODXDQZZLWVCLGV-TWWGPRNNSA-N 1 0 385.552 3.555 20 30 GHEDRO CC[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000505349957 850845762 /nfs/dbraw/zinc/84/57/62/850845762.db2.gz MTWYYPQSUSJPHB-JOCHJYFZSA-N 1 0 391.490 3.682 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](CC)Oc2ccccc2C(F)(F)F)CC1 ZINC000440156392 850858381 /nfs/dbraw/zinc/85/83/81/850858381.db2.gz GLDQWSXNKADXLC-INIZCTEOSA-N 1 0 399.457 3.812 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000487744939 850879314 /nfs/dbraw/zinc/87/93/14/850879314.db2.gz VEQGAFJBDPDLJC-IRFCIJBXSA-N 1 0 385.552 3.531 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000515410211 850991121 /nfs/dbraw/zinc/99/11/21/850991121.db2.gz SVBRSDWLUDSWDJ-AZUAARDMSA-N 1 0 383.540 3.518 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000604430511 862203506 /nfs/dbraw/zinc/20/35/06/862203506.db2.gz LYYNVLPKIUVFCV-UHFFFAOYSA-N 1 0 392.503 3.991 20 30 GHEDRO CSc1c(F)cccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000436058797 851157287 /nfs/dbraw/zinc/15/72/87/851157287.db2.gz ZNAOSMMJFLTGGG-UHFFFAOYSA-N 1 0 383.492 3.836 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000505749226 851163681 /nfs/dbraw/zinc/16/36/81/851163681.db2.gz CPTVQTUSOZWFGO-HXUWFJFHSA-N 1 0 399.539 3.982 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246638716 851304773 /nfs/dbraw/zinc/30/47/73/851304773.db2.gz GPACELPTDFDJPO-DXIQSLLYSA-N 1 0 391.515 3.837 20 30 GHEDRO N#CCN1CCC([NH2+][C@@H](Cc2ccccc2Br)c2ccoc2)CC1 ZINC000925005198 851372344 /nfs/dbraw/zinc/37/23/44/851372344.db2.gz ZMQGTLMYBICIOG-IBGZPJMESA-N 1 0 388.309 3.903 20 30 GHEDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000515717005 851386061 /nfs/dbraw/zinc/38/60/61/851386061.db2.gz YKNIGXKJSRXYHH-XUZZJYLKSA-N 1 0 394.515 3.926 20 30 GHEDRO O=C(C[NH2+][C@H]1c2ccccc2CC12CCOCC2)Nc1nc2c(s1)CCC2 ZINC000329726999 862241477 /nfs/dbraw/zinc/24/14/77/862241477.db2.gz CGMFPOLUVBMMBT-IBGZPJMESA-N 1 0 383.517 3.904 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC(c4cccc(Cl)c4)C3)C2=O)cc1 ZINC000488481937 851553401 /nfs/dbraw/zinc/55/34/01/851553401.db2.gz HCOSTZYOPSYJQU-MNLRITNHSA-N 1 0 379.891 3.848 20 30 GHEDRO COc1cc(C)c([C@H](C)NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425529010 851559177 /nfs/dbraw/zinc/55/91/77/851559177.db2.gz AIMXNNXJEKSWBT-DLBZAZTESA-N 1 0 395.503 3.754 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000440459420 851705465 /nfs/dbraw/zinc/70/54/65/851705465.db2.gz QQWOXOYKMNEPEC-XMMPIXPASA-N 1 0 394.559 3.751 20 30 GHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H](C)C1 ZINC000488732741 851727764 /nfs/dbraw/zinc/72/77/64/851727764.db2.gz KGBRCTPOEULTKZ-NJSLBKSFSA-N 1 0 386.446 3.874 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604564513 862278088 /nfs/dbraw/zinc/27/80/88/862278088.db2.gz VYQZXEJGXIVFTD-FQEVSTJZSA-N 1 0 389.499 3.552 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000570265765 851815594 /nfs/dbraw/zinc/81/55/94/851815594.db2.gz NQJIKWBSYZUDQU-UHFFFAOYSA-N 1 0 383.499 3.994 20 30 GHEDRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000185879427 862286612 /nfs/dbraw/zinc/28/66/12/862286612.db2.gz MAAYNKZTTOTHFN-HNAYVOBHSA-N 1 0 383.492 3.961 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000488876495 851844454 /nfs/dbraw/zinc/84/44/54/851844454.db2.gz GEPMTIWOEFSKPP-UHFFFAOYSA-N 1 0 380.492 3.741 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(F)cc2C#N)[NH+]2CCCC2)c1 ZINC000132891895 862311005 /nfs/dbraw/zinc/31/10/05/862311005.db2.gz DOSLKSFXHOXCFO-HXUWFJFHSA-N 1 0 382.439 3.665 20 30 GHEDRO COc1cccc([C@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000517497441 852031566 /nfs/dbraw/zinc/03/15/66/852031566.db2.gz HOTQIXFXJXRTSE-YADHBBJMSA-N 1 0 375.472 3.899 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438143394 852077926 /nfs/dbraw/zinc/07/79/26/852077926.db2.gz UUAZUGJAIPBPGU-NZQKXSOJSA-N 1 0 396.535 3.806 20 30 GHEDRO CCCN(CC)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000517563371 852116455 /nfs/dbraw/zinc/11/64/55/852116455.db2.gz AIEFUNFOQSSZOG-UHFFFAOYSA-N 1 0 392.547 3.999 20 30 GHEDRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCCC3(C2)CCCCCC3)c1 ZINC000329797649 862328147 /nfs/dbraw/zinc/32/81/47/862328147.db2.gz HJKPJGGFFRYZRF-UHFFFAOYSA-N 1 0 393.553 3.749 20 30 GHEDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nnn1CC1CCCC1 ZINC000329807174 862332808 /nfs/dbraw/zinc/33/28/08/862332808.db2.gz AAGPFLAGQCVSCC-DYESRHJHSA-N 1 0 395.551 3.992 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000517708601 852275488 /nfs/dbraw/zinc/27/54/88/852275488.db2.gz ACUBBAZQAONTOJ-PGRDOPGGSA-N 1 0 399.560 3.743 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000329819331 862343262 /nfs/dbraw/zinc/34/32/62/862343262.db2.gz GCSZQSSEZUAXJH-FEHPBONCSA-N 1 0 395.547 3.899 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481822505 862348464 /nfs/dbraw/zinc/34/84/64/862348464.db2.gz GYMGAWMTSVBPKN-SFHVURJKSA-N 1 0 382.529 3.822 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000438453773 852418178 /nfs/dbraw/zinc/41/81/78/852418178.db2.gz HNTVPOCRITXCPC-LEWJYISDSA-N 1 0 379.589 3.757 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489557707 852441228 /nfs/dbraw/zinc/44/12/28/852441228.db2.gz CTWFHHRQBUYGSU-UGKGYDQZSA-N 1 0 393.531 3.961 20 30 GHEDRO Cc1sc2ncnc(SCC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)c2c1C ZINC000329837125 862359966 /nfs/dbraw/zinc/35/99/66/862359966.db2.gz MSKHMIDYJLFYRW-QMTHXVAHSA-N 1 0 376.551 3.839 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000516380371 852493561 /nfs/dbraw/zinc/49/35/61/852493561.db2.gz OXDMMHANQLCHCS-HXUWFJFHSA-N 1 0 385.515 3.965 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000505929159 852626961 /nfs/dbraw/zinc/62/69/61/852626961.db2.gz AMRJVDCMXBGRRX-RTBURBONSA-N 1 0 386.536 3.987 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329858602 862379016 /nfs/dbraw/zinc/37/90/16/862379016.db2.gz OCZSTYGUVBTMEG-INIZCTEOSA-N 1 0 375.561 3.872 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000669032452 852766641 /nfs/dbraw/zinc/76/66/41/852766641.db2.gz KVAURFGNLYYPPH-YRXWBPOGSA-N 1 0 387.572 3.651 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H](C)c1ccccc1C ZINC000669033088 852789728 /nfs/dbraw/zinc/78/97/28/852789728.db2.gz GONCIZWEHKPLNZ-GGPKGHCWSA-N 1 0 381.524 3.506 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC000426141817 852827540 /nfs/dbraw/zinc/82/75/40/852827540.db2.gz TZEDNMKIGCEXFG-GOSISDBHSA-N 1 0 382.895 3.898 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000249507335 852900027 /nfs/dbraw/zinc/90/00/27/852900027.db2.gz YTDBDNBYVOIWAY-HNAYVOBHSA-N 1 0 394.357 3.547 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429603824 852903438 /nfs/dbraw/zinc/90/34/38/852903438.db2.gz HNMUZGFKBHOPPU-CEXWTWQISA-N 1 0 393.535 3.560 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1 ZINC000912925367 852915602 /nfs/dbraw/zinc/91/56/02/852915602.db2.gz IKABOAUORKXEMH-LJQANCHMSA-N 1 0 377.513 3.771 20 30 GHEDRO CCN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507476647 852949708 /nfs/dbraw/zinc/94/97/08/852949708.db2.gz GMZZBBZUQIJAII-XLIONFOSSA-N 1 0 379.479 3.924 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000467355336 852990097 /nfs/dbraw/zinc/99/00/97/852990097.db2.gz GWKMPSOCZVKEDY-UHFFFAOYSA-N 1 0 398.454 3.834 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000516855046 853071471 /nfs/dbraw/zinc/07/14/71/853071471.db2.gz NYSQTEZWSILQCG-ZIFCJYIRSA-N 1 0 376.460 3.860 20 30 GHEDRO C[C@@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000760020468 853107683 /nfs/dbraw/zinc/10/76/83/853107683.db2.gz WGPQDEBULYADTP-NQIIRXRSSA-N 1 0 381.545 3.857 20 30 GHEDRO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000329926261 862429660 /nfs/dbraw/zinc/42/96/60/862429660.db2.gz KMRVWBHPXOLHMK-UHFFFAOYSA-N 1 0 378.538 3.528 20 30 GHEDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507636485 853131386 /nfs/dbraw/zinc/13/13/86/853131386.db2.gz OVGYZRLALBPDRO-XERBYJISSA-N 1 0 375.516 3.680 20 30 GHEDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)nn1-c1cccc(C#N)c1 ZINC000437880007 853201589 /nfs/dbraw/zinc/20/15/89/853201589.db2.gz WBCOKQZGZFCISJ-OAQYLSRUSA-N 1 0 391.519 3.579 20 30 GHEDRO Cc1ccccc1-n1nccc1C[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000329946041 862446909 /nfs/dbraw/zinc/44/69/09/862446909.db2.gz GDSYRYRURBOMEA-UHFFFAOYSA-N 1 0 395.551 3.981 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccsc1 ZINC000518398654 853286107 /nfs/dbraw/zinc/28/61/07/853286107.db2.gz AUDZWTGQYUFMNC-LJQANCHMSA-N 1 0 392.484 3.840 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440527147 853339810 /nfs/dbraw/zinc/33/98/10/853339810.db2.gz AVAAIGZPNXZIDQ-UHFFFAOYSA-N 1 0 392.341 3.565 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000437642971 853354002 /nfs/dbraw/zinc/35/40/02/853354002.db2.gz ASVMKCBIYUCERD-YDLSIGKMSA-N 1 0 399.579 3.945 20 30 GHEDRO O=C(Nc1ccc(N2CCCCC2)c2ncccc12)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000329959606 862457381 /nfs/dbraw/zinc/45/73/81/862457381.db2.gz RFUNPNWYGPSNAS-GOSISDBHSA-N 1 0 391.519 3.717 20 30 GHEDRO N#CCCC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000519827347 853518214 /nfs/dbraw/zinc/51/82/14/853518214.db2.gz WDXNKZBGSGBOQA-QGZVFWFLSA-N 1 0 376.298 3.570 20 30 GHEDRO CC(=O)c1cccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000519908770 853598601 /nfs/dbraw/zinc/59/86/01/853598601.db2.gz PAASCENKPMENEU-JOCHJYFZSA-N 1 0 380.488 3.659 20 30 GHEDRO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)ccc1Br ZINC000425924059 853626799 /nfs/dbraw/zinc/62/67/99/853626799.db2.gz SCRKICFQCHPOIS-HNNXBMFYSA-N 1 0 392.341 3.698 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2C#N)[n+]2ccccc2)c1 ZINC000055013784 853629431 /nfs/dbraw/zinc/62/94/31/853629431.db2.gz TUFGDXLQZRYOSG-UHFFFAOYSA-O 1 0 388.472 3.905 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC(C)(C)C)cc1 ZINC000055014529 853630312 /nfs/dbraw/zinc/63/03/12/853630312.db2.gz KBYOIOSGNVJMRK-UHFFFAOYSA-O 1 0 392.495 3.645 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(CCC)cc1 ZINC000055025855 853632194 /nfs/dbraw/zinc/63/21/94/853632194.db2.gz DTZWOUUBCRPJEH-UHFFFAOYSA-O 1 0 399.536 3.636 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(O)c(OC)c1 ZINC000164022757 853647849 /nfs/dbraw/zinc/64/78/49/853647849.db2.gz BTPSFYZFTXHVNL-KRWDZBQOSA-N 1 0 386.536 3.600 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CC)Oc2cccc(Cl)c2)CC1 ZINC000440939845 853772550 /nfs/dbraw/zinc/77/25/50/853772550.db2.gz FFCPDTTVWSNXHY-GOSISDBHSA-N 1 0 379.932 3.837 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c(OC)c1 ZINC000055290458 853781567 /nfs/dbraw/zinc/78/15/67/853781567.db2.gz LEGBVBFQDINHGB-JOCHJYFZSA-N 1 0 397.515 3.749 20 30 GHEDRO N#CC1CCC(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000440979755 853807244 /nfs/dbraw/zinc/80/72/44/853807244.db2.gz BOQHYYMQMMUYJB-UHFFFAOYSA-N 1 0 390.531 3.997 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000520127776 853860509 /nfs/dbraw/zinc/86/05/09/853860509.db2.gz BASINBIKGHZYLG-JOCHJYFZSA-N 1 0 381.520 3.738 20 30 GHEDRO CCN(CC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000156612765 853938806 /nfs/dbraw/zinc/93/88/06/853938806.db2.gz VOBFKVBXDAXAEP-HXUWFJFHSA-N 1 0 387.524 3.561 20 30 GHEDRO CN(C(=O)C1CCC(NC(=O)C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330031718 862520675 /nfs/dbraw/zinc/52/06/75/862520675.db2.gz UFOVPLFBXDYZFA-XVAXZDLZSA-N 1 0 383.536 3.645 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000156697341 854029153 /nfs/dbraw/zinc/02/91/53/854029153.db2.gz AYXNSJOEPQMDPN-YADHBBJMSA-N 1 0 378.497 3.889 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520332071 854088610 /nfs/dbraw/zinc/08/86/10/854088610.db2.gz XZMRBXYSZFPRSE-KSZLIROESA-N 1 0 392.503 3.842 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164648659 854134830 /nfs/dbraw/zinc/13/48/30/854134830.db2.gz RYXQUZNESVXQNB-UXHICEINSA-N 1 0 397.592 3.564 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000520406371 854176458 /nfs/dbraw/zinc/17/64/58/854176458.db2.gz BMCQUUBQXIKKQV-WMZOPIPTSA-N 1 0 398.580 3.739 20 30 GHEDRO C=C(Br)Cn1c(C2CC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001300844244 854220414 /nfs/dbraw/zinc/22/04/14/854220414.db2.gz KNCXINIOGOHHFX-UHFFFAOYSA-N 1 0 394.361 3.519 20 30 GHEDRO COc1ccc(C)cc1[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000045120413 854250601 /nfs/dbraw/zinc/25/06/01/854250601.db2.gz FIGOFYBPOXMTHC-GOSISDBHSA-N 1 0 394.519 3.710 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000588339580 854299149 /nfs/dbraw/zinc/29/91/49/854299149.db2.gz GUMYAANKNQPRSC-OAQYLSRUSA-N 1 0 398.482 3.587 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cn1cc3ccccc3n1)c1ccccc1O2 ZINC000330072432 862554593 /nfs/dbraw/zinc/55/45/93/862554593.db2.gz JQLFGGBQQJSPTF-HXUWFJFHSA-N 1 0 390.487 3.981 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)[NH+](C)C ZINC000588732547 854387072 /nfs/dbraw/zinc/38/70/72/854387072.db2.gz CURHWUGFRUHERH-NMNUPHIUSA-N 1 0 390.531 3.643 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000328682363 854508018 /nfs/dbraw/zinc/50/80/18/854508018.db2.gz CYVOLKKLLRKLQT-AWEZNQCLSA-N 1 0 387.505 3.964 20 30 GHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000330102072 862576844 /nfs/dbraw/zinc/57/68/44/862576844.db2.gz FPIPYGCWMBSQRS-ZMOODUGTSA-N 1 0 376.541 3.570 20 30 GHEDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc(Br)c1OC ZINC000328795739 854559918 /nfs/dbraw/zinc/55/99/18/854559918.db2.gz CNGAKMAQMKTWOH-ZDUSSCGKSA-N 1 0 397.313 3.788 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328796911 854561006 /nfs/dbraw/zinc/56/10/06/854561006.db2.gz VFMLQQVTMHWJHV-SJLPKXTDSA-N 1 0 385.508 3.538 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000669309277 854575699 /nfs/dbraw/zinc/57/56/99/854575699.db2.gz FJNHVFXBTDEUJV-NRFANRHFSA-N 1 0 397.567 3.631 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000588941518 854605233 /nfs/dbraw/zinc/60/52/33/854605233.db2.gz RRSHFBGGOBFTCN-UHFFFAOYSA-N 1 0 397.544 3.770 20 30 GHEDRO CC(C)c1nnc([C@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[nH]1 ZINC000328948813 854613094 /nfs/dbraw/zinc/61/30/94/854613094.db2.gz WHMVXCKXKCGHQI-GTPINHCMSA-N 1 0 376.549 3.536 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCn2cncc2C1 ZINC000328921953 854623291 /nfs/dbraw/zinc/62/32/91/854623291.db2.gz CIQBBXJPAKBBGD-RXVVDRJESA-N 1 0 380.536 3.875 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000330408341 854668074 /nfs/dbraw/zinc/66/80/74/854668074.db2.gz JKLCZYIRTVZWNS-ZIAGYGMSSA-N 1 0 398.345 3.754 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c(F)cc1C ZINC000330582594 854704939 /nfs/dbraw/zinc/70/49/39/854704939.db2.gz UVTWVOOVNIDSKW-LSDHHAIUSA-N 1 0 379.476 3.661 20 30 GHEDRO COc1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(SC)cc1OC ZINC000589194625 854741369 /nfs/dbraw/zinc/74/13/69/854741369.db2.gz WOLPVWOFZXFJHQ-UHFFFAOYSA-N 1 0 399.560 3.861 20 30 GHEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000330875499 854762293 /nfs/dbraw/zinc/76/22/93/854762293.db2.gz ZUVJBKSBGSIMBP-LBPRGKRZSA-N 1 0 389.874 3.848 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1Cl ZINC000572714776 854947166 /nfs/dbraw/zinc/94/71/66/854947166.db2.gz YQGSWOKZXOCNKQ-UHFFFAOYSA-N 1 0 394.899 3.692 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)ccc1OC ZINC000186367149 854953946 /nfs/dbraw/zinc/95/39/46/854953946.db2.gz GQMQZGJISDBTNT-MRXNPFEDSA-N 1 0 376.497 3.607 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+]2CCCC2)o1 ZINC000509199135 862630726 /nfs/dbraw/zinc/63/07/26/862630726.db2.gz WKBQIIUYHWVGMY-IBGZPJMESA-N 1 0 381.451 3.584 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000330220561 862672718 /nfs/dbraw/zinc/67/27/18/862672718.db2.gz KWXNYPFYJRRIRA-ZLNRFVROSA-N 1 0 399.579 3.766 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091248150 855501028 /nfs/dbraw/zinc/50/10/28/855501028.db2.gz ZTFHXCRVIQMMOI-IBGZPJMESA-N 1 0 376.504 3.708 20 30 GHEDRO C[C@]1(CNC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000330244202 862689807 /nfs/dbraw/zinc/68/98/07/862689807.db2.gz CYYRCPDSYMUARR-MIZPHKNDSA-N 1 0 398.551 3.786 20 30 GHEDRO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000590807379 855597857 /nfs/dbraw/zinc/59/78/57/855597857.db2.gz BAERIWUPRKOBRU-RBUKOAKNSA-N 1 0 376.504 3.783 20 30 GHEDRO Cc1cc(Br)cnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000301561530 855717559 /nfs/dbraw/zinc/71/75/59/855717559.db2.gz UTFWDRIMABGSOJ-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2cccc(C#N)c2)c(OC)cc1Cl ZINC000591022960 855742744 /nfs/dbraw/zinc/74/27/44/855742744.db2.gz KDMWTEHQVMCJAR-ZDUSSCGKSA-N 1 0 387.867 3.908 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+]([C@H]1CCO[C@H](c3ccc(OC)cc3)C1)CCC2 ZINC001168645221 855771166 /nfs/dbraw/zinc/77/11/66/855771166.db2.gz RTXCTNPDWPNIAP-CVDCTZTESA-N 1 0 397.519 3.720 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(CNc3ccc4cc(C#N)ccc4n3)cc2)CC1 ZINC000301985507 855795545 /nfs/dbraw/zinc/79/55/45/855795545.db2.gz TVDHODALDPOMBR-UHFFFAOYSA-N 1 0 385.515 3.856 20 30 GHEDRO CCOc1ccc(C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000591159156 855802615 /nfs/dbraw/zinc/80/26/15/855802615.db2.gz RRTJGBYJRRWDNV-LJQANCHMSA-N 1 0 393.531 3.726 20 30 GHEDRO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]CC(=O)Nc1sccc1C#N ZINC000482138287 862724243 /nfs/dbraw/zinc/72/42/43/862724243.db2.gz RZPSQIHKSINJSL-LJQANCHMSA-N 1 0 396.560 3.621 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000302219989 855840028 /nfs/dbraw/zinc/84/00/28/855840028.db2.gz RNQSRNQAVJUDPP-UHFFFAOYSA-N 1 0 391.475 3.611 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000554188243 855854684 /nfs/dbraw/zinc/85/46/84/855854684.db2.gz ZHXKFQBURTWTCE-UHFFFAOYSA-N 1 0 380.439 3.889 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC000554249778 855865346 /nfs/dbraw/zinc/86/53/46/855865346.db2.gz LIBSGPPVWSJCRR-GOSISDBHSA-N 1 0 388.870 3.798 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000108552561 855934994 /nfs/dbraw/zinc/93/49/94/855934994.db2.gz LILADMSMDDOQRB-TZIWHRDSSA-N 1 0 383.467 3.520 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000466606679 862739141 /nfs/dbraw/zinc/73/91/41/862739141.db2.gz JJRKWXHSPIDQCV-IBGZPJMESA-N 1 0 399.539 3.930 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000128955868 856020521 /nfs/dbraw/zinc/02/05/21/856020521.db2.gz BTIONLNYPQAERW-UHFFFAOYSA-N 1 0 376.460 3.632 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000330293324 862748250 /nfs/dbraw/zinc/74/82/50/862748250.db2.gz HRKFROVPIDJSDJ-ZDUSSCGKSA-N 1 0 383.286 3.899 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000459128303 856067722 /nfs/dbraw/zinc/06/77/22/856067722.db2.gz TWHKYHPEVHQGDV-QGZVFWFLSA-N 1 0 386.515 3.883 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)NC3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000171284659 856076265 /nfs/dbraw/zinc/07/62/65/856076265.db2.gz VUCHJEJYAWHYLM-UHFFFAOYSA-N 1 0 375.472 3.955 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1)CC(C)C ZINC000459132013 856109341 /nfs/dbraw/zinc/10/93/41/856109341.db2.gz XECKPNMMBQPTME-UHFFFAOYSA-N 1 0 388.531 3.987 20 30 GHEDRO N#Cc1ccc(N2CCC(N(c3ccccn3)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC000895111400 856135916 /nfs/dbraw/zinc/13/59/16/856135916.db2.gz DPBSFQFFXDDIPV-XUTJKUGGSA-N 1 0 375.520 3.699 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)sc2C1 ZINC000171630635 856210192 /nfs/dbraw/zinc/21/01/92/856210192.db2.gz DFQOAVURCQSYNL-CABCVRRESA-N 1 0 397.548 3.676 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(-c3ccccc3OCc3ccccc3)no1)C2 ZINC000905304459 856268229 /nfs/dbraw/zinc/26/82/29/856268229.db2.gz MIYFMGIOJYIVEY-OTQYULQBSA-N 1 0 386.455 3.922 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+]1CCC(C)CC1 ZINC000109288580 856270254 /nfs/dbraw/zinc/27/02/54/856270254.db2.gz XADCAQCHSKSSQD-QGZVFWFLSA-N 1 0 381.476 3.580 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3csc(Br)c3)C2=O)cc1 ZINC000485260969 856277253 /nfs/dbraw/zinc/27/72/53/856277253.db2.gz OXFVXIUORYCYFR-OAHLLOKOSA-N 1 0 390.306 3.667 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000171945086 856313697 /nfs/dbraw/zinc/31/36/97/856313697.db2.gz DZPSWINXMWBFOZ-VQTJNVASSA-N 1 0 383.442 3.530 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164131732 856349300 /nfs/dbraw/zinc/34/93/00/856349300.db2.gz AFMYUQPWGWRHCV-PBHICJAKSA-N 1 0 382.426 3.827 20 30 GHEDRO COc1ccc([C@@H]2C[C@@H]([NH+]3CCN(c4ccc(C#N)cc4F)CC3)CCO2)cc1 ZINC001168666447 856354518 /nfs/dbraw/zinc/35/45/18/856354518.db2.gz VXRVAGHJPRURGO-CVDCTZTESA-N 1 0 395.478 3.748 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000499443766 856362423 /nfs/dbraw/zinc/36/24/23/856362423.db2.gz CTXQWWMUJMAZJZ-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000181213784 862801151 /nfs/dbraw/zinc/80/11/51/862801151.db2.gz GLPHQWLWRDATPZ-YLJYHZDGSA-N 1 0 382.470 3.784 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000110073520 856440233 /nfs/dbraw/zinc/44/02/33/856440233.db2.gz SSPXYZGISZFJNA-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(CC#N)cc1 ZINC000592025957 856627736 /nfs/dbraw/zinc/62/77/36/856627736.db2.gz IZAJLWBASYQZFE-IBGZPJMESA-N 1 0 376.504 3.559 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000485493494 856652431 /nfs/dbraw/zinc/65/24/31/856652431.db2.gz PNZPHQVPMPPYJS-UHFFFAOYSA-N 1 0 388.577 3.977 20 30 GHEDRO CC(C)[N@@H+]1CCCN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000330305155 862821721 /nfs/dbraw/zinc/82/17/21/862821721.db2.gz KSSMMZKQOSITPK-RMJOCGACSA-N 1 0 390.572 3.630 20 30 GHEDRO CCCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCc2ncsc2C1 ZINC000592189853 856687341 /nfs/dbraw/zinc/68/73/41/856687341.db2.gz XURMXFULXNTHGS-QGZVFWFLSA-N 1 0 388.581 3.787 20 30 GHEDRO N#Cc1nc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)ccc1Br ZINC000905984525 856727057 /nfs/dbraw/zinc/72/70/57/856727057.db2.gz QTDKDILUPFRNIZ-UHFFFAOYSA-N 1 0 389.253 3.547 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000111048948 856756330 /nfs/dbraw/zinc/75/63/30/856756330.db2.gz LJEYQXOGTQCKOT-CQSZACIVSA-N 1 0 391.924 3.619 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592154059 856756724 /nfs/dbraw/zinc/75/67/24/856756724.db2.gz LGDYRVOLNCSYOO-QFIPXVFZSA-N 1 0 390.531 3.872 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](O)[C@H]3CCc3ccccc3)o2)cc1 ZINC000592166192 856766629 /nfs/dbraw/zinc/76/66/29/856766629.db2.gz HYEPCDPMEUJXAR-RTWAWAEBSA-N 1 0 388.471 3.566 20 30 GHEDRO COc1cc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)ccc1C#N ZINC000592375325 856788980 /nfs/dbraw/zinc/78/89/80/856788980.db2.gz DJXDSKGWSQKTHK-KRWDZBQOSA-N 1 0 380.366 3.679 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ncc(C#N)cc1Cl ZINC000427901513 856837582 /nfs/dbraw/zinc/83/75/82/856837582.db2.gz BTWZAXLEAHKPDG-UHFFFAOYSA-N 1 0 396.882 3.550 20 30 GHEDRO N#Cc1cnc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000427939126 856888862 /nfs/dbraw/zinc/88/88/62/856888862.db2.gz SWYMJLPAWLOODW-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000245533149 856936688 /nfs/dbraw/zinc/93/66/88/856936688.db2.gz VBQJVLSYEJWAAB-GMAHTHKFSA-N 1 0 389.499 3.592 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000173576244 857003444 /nfs/dbraw/zinc/00/34/44/857003444.db2.gz PTGZKUDXNJFDRO-HXUWFJFHSA-N 1 0 391.515 3.941 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCc4ccccc43)CC2)cc1 ZINC000111878604 857032423 /nfs/dbraw/zinc/03/24/23/857032423.db2.gz KBINWMXLAYLXJX-JOCHJYFZSA-N 1 0 388.515 3.506 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000508215138 857074539 /nfs/dbraw/zinc/07/45/39/857074539.db2.gz IGLJWVKSBDXYCD-UHFFFAOYSA-N 1 0 381.476 3.678 20 30 GHEDRO COc1ccc(CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1OC(F)F ZINC000237241024 857077594 /nfs/dbraw/zinc/07/75/94/857077594.db2.gz PLOBIGROEPPKBN-CQSZACIVSA-N 1 0 376.403 3.920 20 30 GHEDRO N#Cc1sc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1Cl ZINC000888409533 857095336 /nfs/dbraw/zinc/09/53/36/857095336.db2.gz HLBXLINQDVXNLQ-LLVKDONJSA-N 1 0 395.941 3.763 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1cc(F)cc(Br)c1 ZINC000485839637 857134699 /nfs/dbraw/zinc/13/46/99/857134699.db2.gz BWBHDHHYJXNBIB-WBMJQRKESA-N 1 0 384.293 3.637 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000173824044 857165209 /nfs/dbraw/zinc/16/52/09/857165209.db2.gz CDXCCVWSGJVOCO-HOTGVXAUSA-N 1 0 399.466 3.829 20 30 GHEDRO Cc1oc(NC(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c1C ZINC000245938578 857203012 /nfs/dbraw/zinc/20/30/12/857203012.db2.gz LRLVFWSVNYGVBM-OXJNMPFZSA-N 1 0 394.519 3.692 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc2ccccc2[nH]1 ZINC000672387641 857232638 /nfs/dbraw/zinc/23/26/38/857232638.db2.gz UWUWPOTZUDZUDD-UHFFFAOYSA-N 1 0 382.537 3.661 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000246366757 857357932 /nfs/dbraw/zinc/35/79/32/857357932.db2.gz YWZSFILOFWANQQ-HUUCEWRRSA-N 1 0 381.423 3.947 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C/C=C\c3ccccc3F)CC2)cc1 ZINC000255030245 857370731 /nfs/dbraw/zinc/37/07/31/857370731.db2.gz CUHVLKZDJMLXML-UTCJRWHESA-N 1 0 377.463 3.835 20 30 GHEDRO N#C[C@]1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC2CCC1CC2 ZINC000921972310 857377459 /nfs/dbraw/zinc/37/74/59/857377459.db2.gz UKSVEOJIEBLKAX-OVFRKTKQSA-N 1 0 378.520 3.630 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442077380 857480269 /nfs/dbraw/zinc/48/02/69/857480269.db2.gz JZIANMODQXEHKZ-UHFFFAOYSA-N 1 0 384.402 3.699 20 30 GHEDRO N#CCc1ccc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000574272926 857487361 /nfs/dbraw/zinc/48/73/61/857487361.db2.gz DHWNWXJKWPQDEV-UHFFFAOYSA-N 1 0 390.531 3.603 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSc1ccc(C#N)cc1 ZINC000486169177 857505892 /nfs/dbraw/zinc/50/58/92/857505892.db2.gz XVSQHRWUPFLDSN-UHFFFAOYSA-N 1 0 389.471 3.519 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1(C#N)CCCC1 ZINC000593428450 857585790 /nfs/dbraw/zinc/58/57/90/857585790.db2.gz XJRYDKXTCOQEQG-UHFFFAOYSA-N 1 0 396.457 3.863 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)[NH+](C)C)c1 ZINC000065473414 857616849 /nfs/dbraw/zinc/61/68/49/857616849.db2.gz IWYRBRQELJHPKG-HXUWFJFHSA-N 1 0 396.491 3.778 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000593590623 857644928 /nfs/dbraw/zinc/64/49/28/857644928.db2.gz KBTSVEQOIVNSBY-IBGZPJMESA-N 1 0 389.565 3.563 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4ccccc4Br)CCC3)cnc12 ZINC000592515293 857655674 /nfs/dbraw/zinc/65/56/74/857655674.db2.gz ZKJOJRFQOBMPAB-UHFFFAOYSA-N 1 0 396.292 3.575 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)C1=O ZINC000499603350 857705036 /nfs/dbraw/zinc/70/50/36/857705036.db2.gz RISYQXMGSVXPTD-NHCUHLMSSA-N 1 0 394.515 3.673 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000521212670 857738207 /nfs/dbraw/zinc/73/82/07/857738207.db2.gz HTLLRWZUEZBZOB-DYESRHJHSA-N 1 0 376.460 3.875 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046428153 857806103 /nfs/dbraw/zinc/80/61/03/857806103.db2.gz SBSOIFFMDDZGAH-UHFFFAOYSA-N 1 0 390.531 3.928 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000486616537 857917113 /nfs/dbraw/zinc/91/71/13/857917113.db2.gz GPJZSJLBKHTHAV-CRAIPNDOSA-N 1 0 390.325 3.785 20 30 GHEDRO N#Cc1cc(NC(=O)NCCC[NH2+]C2CCCCC2)ccc1OCC(F)(F)F ZINC000521369349 857938878 /nfs/dbraw/zinc/93/88/78/857938878.db2.gz WZJRIMVIRXBZND-UHFFFAOYSA-N 1 0 398.429 3.933 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)C1 ZINC001127160439 857977153 /nfs/dbraw/zinc/97/71/53/857977153.db2.gz AQHHXZRLRAKVAO-HOYKHHGWSA-N 1 0 392.547 3.996 20 30 GHEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)cc1 ZINC000442788856 858135049 /nfs/dbraw/zinc/13/50/49/858135049.db2.gz JEIDNJMYNMFZOD-TZIWHRDSSA-N 1 0 377.488 3.837 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000594429819 858174228 /nfs/dbraw/zinc/17/42/28/858174228.db2.gz WPYQGBFMBCLCEU-SJORKVTESA-N 1 0 378.314 3.818 20 30 GHEDRO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1Cl ZINC000594429546 858174596 /nfs/dbraw/zinc/17/45/96/858174596.db2.gz UBJSZEHEUZJWST-MRXNPFEDSA-N 1 0 378.904 3.608 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000594445465 858178705 /nfs/dbraw/zinc/17/87/05/858178705.db2.gz GHPXYCAEWHUVSJ-RHSMWYFYSA-N 1 0 384.307 3.774 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000594420608 858183763 /nfs/dbraw/zinc/18/37/63/858183763.db2.gz CGXTWCVMNILMBK-SFHVURJKSA-N 1 0 384.483 3.634 20 30 GHEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000442866287 858183768 /nfs/dbraw/zinc/18/37/68/858183768.db2.gz KXAQLVQWRSWABH-LMDPOFIKSA-N 1 0 389.565 3.842 20 30 GHEDRO CN1CCN([C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2cccs2)CC1 ZINC000594493395 858190434 /nfs/dbraw/zinc/19/04/34/858190434.db2.gz LCLOSANYQGEYSY-HXUWFJFHSA-N 1 0 382.577 3.628 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000442875678 858191582 /nfs/dbraw/zinc/19/15/82/858191582.db2.gz OOTABFQFHYUDMV-GLXFQSAKSA-N 1 0 377.204 3.783 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594516517 858206810 /nfs/dbraw/zinc/20/68/10/858206810.db2.gz RXJWDVVIYKZCPV-MRXNPFEDSA-N 1 0 393.487 3.962 20 30 GHEDRO CCCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829993 858296091 /nfs/dbraw/zinc/29/60/91/858296091.db2.gz ALDIHCSDEIMIAE-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)CCOCC2)c1 ZINC000594985027 858358049 /nfs/dbraw/zinc/35/80/49/858358049.db2.gz SKBXVROWUMHYAA-QHCPKHFHSA-N 1 0 392.499 3.912 20 30 GHEDRO COc1ccc([C@H]2[C@H](COC(=O)Cc3ccccc3CC#N)CCC[N@@H+]2C)cc1 ZINC000761104201 858455147 /nfs/dbraw/zinc/45/51/47/858455147.db2.gz CSILEUWTGAZQJL-URXFXBBRSA-N 1 0 392.499 3.930 20 30 GHEDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[C@@H](O)C12CCCC2 ZINC000330343132 863026589 /nfs/dbraw/zinc/02/65/89/863026589.db2.gz BQJMUNKFHDNXFW-OAQYLSRUSA-N 1 0 385.552 3.856 20 30 GHEDRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595535076 858543367 /nfs/dbraw/zinc/54/33/67/858543367.db2.gz YTPOTMLWKVTGSD-UHFFFAOYSA-N 1 0 390.483 3.629 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C2(CCO)CCCC2)c1C#N ZINC000595508735 858549164 /nfs/dbraw/zinc/54/91/64/858549164.db2.gz KKKPZERJFCPRHC-UHFFFAOYSA-N 1 0 386.540 3.705 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)C(C)C ZINC000046905730 858599149 /nfs/dbraw/zinc/59/91/49/858599149.db2.gz DDKOEGKMEMUYHX-UTKZUKDTSA-N 1 0 398.551 3.630 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000499665729 858607651 /nfs/dbraw/zinc/60/76/51/858607651.db2.gz ZKDXCMPTUYFJBD-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CC[C@@H]3c3ccccc3)CC2)c1 ZINC000595653534 858638935 /nfs/dbraw/zinc/63/89/35/858638935.db2.gz NFAFEFJALDZMMD-DHIUTWEWSA-N 1 0 388.515 3.768 20 30 GHEDRO N#CCCC[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000595673469 858645206 /nfs/dbraw/zinc/64/52/06/858645206.db2.gz FKHCBBPNZJOIOZ-JOCHJYFZSA-N 1 0 398.551 3.612 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000595693312 858649248 /nfs/dbraw/zinc/64/92/48/858649248.db2.gz MCPQDUNVFSZEHN-WMZHIEFXSA-N 1 0 390.531 3.701 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595830018 858702323 /nfs/dbraw/zinc/70/23/23/858702323.db2.gz SNSLGEDGCNXAFD-ZDUSSCGKSA-N 1 0 384.288 3.578 20 30 GHEDRO C=CCCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000121093586 858768986 /nfs/dbraw/zinc/76/89/86/858768986.db2.gz KNUUYTZAEAMVHL-UHFFFAOYSA-N 1 0 375.494 3.664 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4cn[nH]c4)CC3)sc2C1 ZINC000506616438 858789485 /nfs/dbraw/zinc/78/94/85/858789485.db2.gz DJGZDIFJPHGEDN-CQSZACIVSA-N 1 0 397.548 3.676 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)c(OC)c1 ZINC000067961913 858803854 /nfs/dbraw/zinc/80/38/54/858803854.db2.gz XNGRDCWFXHVXBG-FQEVSTJZSA-N 1 0 379.460 3.741 20 30 GHEDRO C=CC[N@@H+](CCOc1ccccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213478 858817020 /nfs/dbraw/zinc/81/70/20/858817020.db2.gz QPGRMCYYKJWMKJ-INIZCTEOSA-N 1 0 383.883 3.944 20 30 GHEDRO Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596224667 858820471 /nfs/dbraw/zinc/82/04/71/858820471.db2.gz YKMZWQFJCCZCOP-UHFFFAOYSA-N 1 0 382.386 3.992 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccccc2n1 ZINC000593175631 858876493 /nfs/dbraw/zinc/87/64/93/858876493.db2.gz WTRRLQYHHUISBS-UHFFFAOYSA-N 1 0 399.498 3.623 20 30 GHEDRO CCn1nccc1CN(CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000482886131 858941277 /nfs/dbraw/zinc/94/12/77/858941277.db2.gz GIIAEPDDNOAJFH-UHFFFAOYSA-N 1 0 388.515 3.597 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N(CCC3CC3)CC3CC3)CC2)c1 ZINC000596648207 858994997 /nfs/dbraw/zinc/99/49/97/858994997.db2.gz LSPAJXVUOLTAQT-UHFFFAOYSA-N 1 0 380.536 3.744 20 30 GHEDRO C=CCCSCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000596722309 859052852 /nfs/dbraw/zinc/05/28/52/859052852.db2.gz TXFNKXYUUZOZBJ-QUCCMNQESA-N 1 0 375.582 3.990 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC(CC#N)C2)cc1)C[C@H]1CCCCO1 ZINC000596820099 859105722 /nfs/dbraw/zinc/10/57/22/859105722.db2.gz MMAGIFSESCIAPM-OAQYLSRUSA-N 1 0 384.524 3.843 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000923186692 859108093 /nfs/dbraw/zinc/10/80/93/859108093.db2.gz IUROAZJSPYZJCS-QFIPXVFZSA-N 1 0 389.499 3.502 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000596906331 859160383 /nfs/dbraw/zinc/16/03/83/859160383.db2.gz GQFFYEPYTVBOSA-UHFFFAOYSA-N 1 0 391.313 3.564 20 30 GHEDRO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000483173568 859204071 /nfs/dbraw/zinc/20/40/71/859204071.db2.gz HOBQGCWBZRNNJF-NZQKXSOJSA-N 1 0 376.500 3.766 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCC(C(=O)NCCc4cccs4)CC3)cc2)CC1 ZINC000596995404 859234012 /nfs/dbraw/zinc/23/40/12/859234012.db2.gz IFWYPSBLMIUVLP-UHFFFAOYSA-N 1 0 393.556 3.874 20 30 GHEDRO COc1cc(C)c(C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000596999607 859236823 /nfs/dbraw/zinc/23/68/23/859236823.db2.gz DSQULNGPBZYZEM-UHFFFAOYSA-N 1 0 380.492 3.779 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000151655114 859287523 /nfs/dbraw/zinc/28/75/23/859287523.db2.gz JRIBUWHSRDGKBR-GOSISDBHSA-N 1 0 398.551 3.684 20 30 GHEDRO C#CC1(O)CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000895384061 859336803 /nfs/dbraw/zinc/33/68/03/859336803.db2.gz HSHGMBUHAZJXOR-UHFFFAOYSA-N 1 0 377.307 3.533 20 30 GHEDRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000597225940 859377686 /nfs/dbraw/zinc/37/76/86/859377686.db2.gz HQZCDXBYFHDGPH-DHIUTWEWSA-N 1 0 389.503 3.707 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC001170359454 881416972 /nfs/dbraw/zinc/41/69/72/881416972.db2.gz YTPTWXYOBVFDKF-UHFFFAOYSA-N 1 0 380.536 3.660 20 30 GHEDRO N#Cc1ccc(CN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000543364003 859400495 /nfs/dbraw/zinc/40/04/95/859400495.db2.gz YXCLXOODPKTCBM-JOCHJYFZSA-N 1 0 388.515 3.897 20 30 GHEDRO C[C@H](Cc1ccsc1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593324102 859408202 /nfs/dbraw/zinc/40/82/02/859408202.db2.gz XXMKUKCXKGTINB-MRXNPFEDSA-N 1 0 382.533 3.515 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764361130 859413219 /nfs/dbraw/zinc/41/32/19/859413219.db2.gz KUCNKBNPUYITEG-PCCBWWKXSA-N 1 0 380.621 3.650 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000429457319 859416078 /nfs/dbraw/zinc/41/60/78/859416078.db2.gz RXROLMYMJGLVGG-CZUORRHYSA-N 1 0 391.284 3.962 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000601737076 859493792 /nfs/dbraw/zinc/49/37/92/859493792.db2.gz CJDYONGQWAJPOJ-UHFFFAOYSA-N 1 0 391.519 3.554 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1C#N ZINC000601738039 859494933 /nfs/dbraw/zinc/49/49/33/859494933.db2.gz IBERQHDPOUEZRJ-UHFFFAOYSA-N 1 0 384.549 3.643 20 30 GHEDRO C[C@@]1(NC(=O)CCCCOc2cccc(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342200 859495580 /nfs/dbraw/zinc/49/55/80/859495580.db2.gz NJNCRBDNZMDQKW-XMMPIXPASA-N 1 0 391.515 3.888 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000601739860 859496661 /nfs/dbraw/zinc/49/66/61/859496661.db2.gz QGXJOGONJXAZDT-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO CC[C@H]1CCCC[C@@H]1OCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593350730 859524649 /nfs/dbraw/zinc/52/46/49/859524649.db2.gz FAXIMECFCFTOEB-UNMCSNQZSA-N 1 0 383.536 3.624 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C(F)(F)F)o1 ZINC000593351640 859529717 /nfs/dbraw/zinc/52/97/17/859529717.db2.gz PAKCBCSGZQZIDM-UHFFFAOYSA-N 1 0 391.393 3.873 20 30 GHEDRO CC(C)COc1cccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593352288 859533998 /nfs/dbraw/zinc/53/39/98/859533998.db2.gz FNNQEEXUGKXBJC-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@H](OC1CCCCCC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352511 859534713 /nfs/dbraw/zinc/53/47/13/859534713.db2.gz DFCHBRZCJLJPOZ-SFHVURJKSA-N 1 0 383.536 3.767 20 30 GHEDRO Cc1c(Cl)cccc1OCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352461 859534743 /nfs/dbraw/zinc/53/47/43/859534743.db2.gz AZTASOJCMHYGRW-UHFFFAOYSA-N 1 0 397.906 3.680 20 30 GHEDRO CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000597436252 859538780 /nfs/dbraw/zinc/53/87/80/859538780.db2.gz FROJBYWEPPQYID-NHCUHLMSSA-N 1 0 388.600 3.646 20 30 GHEDRO CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000597436253 859539049 /nfs/dbraw/zinc/53/90/49/859539049.db2.gz FROJBYWEPPQYID-RTWAWAEBSA-N 1 0 388.600 3.646 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c(F)c(F)cc(F)c3F)CC2)c1 ZINC000593355677 859545283 /nfs/dbraw/zinc/54/52/83/859545283.db2.gz YDCCGZRWVIZAJX-UHFFFAOYSA-N 1 0 391.368 3.509 20 30 GHEDRO C[C@H](CCOc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593353249 859546687 /nfs/dbraw/zinc/54/66/87/859546687.db2.gz IJANSEAMPBCFEP-LJQANCHMSA-N 1 0 391.515 3.744 20 30 GHEDRO COc1ccc(OC)c(C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC000474180045 859547607 /nfs/dbraw/zinc/54/76/07/859547607.db2.gz VPWKPXYNMWXVPV-LJQANCHMSA-N 1 0 398.503 3.616 20 30 GHEDRO N#Cc1ccncc1NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000611101403 859605029 /nfs/dbraw/zinc/60/50/29/859605029.db2.gz WOOHMRVERWPUFJ-UHFFFAOYSA-N 1 0 383.499 3.888 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(OC)c1 ZINC000036732590 859605240 /nfs/dbraw/zinc/60/52/40/859605240.db2.gz MYFNWHFGFOSDBV-IBGZPJMESA-N 1 0 398.503 3.739 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(OC)c1 ZINC000036732591 859605468 /nfs/dbraw/zinc/60/54/68/859605468.db2.gz MYFNWHFGFOSDBV-LJQANCHMSA-N 1 0 398.503 3.739 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H]1C ZINC000611093904 859607598 /nfs/dbraw/zinc/60/75/98/859607598.db2.gz NPUZSDZVPZZFCW-GOSISDBHSA-N 1 0 392.503 3.890 20 30 GHEDRO C#CCNC(=O)C1CCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000764808548 859623752 /nfs/dbraw/zinc/62/37/52/859623752.db2.gz YZUBARNDNNONSA-UHFFFAOYSA-N 1 0 385.467 3.993 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000597640078 859701567 /nfs/dbraw/zinc/70/15/67/859701567.db2.gz VBURGRSMZYGWLZ-SFHVURJKSA-N 1 0 377.916 3.550 20 30 GHEDRO CC(C)[C@H](CC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593395222 859711012 /nfs/dbraw/zinc/71/10/12/859711012.db2.gz ZXAJGPYDEHHXCU-SFHVURJKSA-N 1 0 396.457 3.799 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000611370467 859724319 /nfs/dbraw/zinc/72/43/19/859724319.db2.gz TWAUWYNDRMBALX-RVKKMQEKSA-N 1 0 379.464 3.856 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391817 859734869 /nfs/dbraw/zinc/73/48/69/859734869.db2.gz VTDURVVXUCUSIZ-JOCHJYFZSA-N 1 0 397.544 3.756 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391818 859735206 /nfs/dbraw/zinc/73/52/06/859735206.db2.gz VTDURVVXUCUSIZ-QFIPXVFZSA-N 1 0 397.544 3.756 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000611393089 859735873 /nfs/dbraw/zinc/73/58/73/859735873.db2.gz IDKMLYUIZITPSK-NWVWQQAFSA-N 1 0 375.516 3.815 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000611390281 859740317 /nfs/dbraw/zinc/74/03/17/859740317.db2.gz NZCQFUOUDZUCKN-PKTZIBPZSA-N 1 0 379.479 3.738 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000611391121 859742400 /nfs/dbraw/zinc/74/24/00/859742400.db2.gz UHRYCGSXMFZUAK-DNQXCXABSA-N 1 0 375.516 3.907 20 30 GHEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000543455100 859768391 /nfs/dbraw/zinc/76/83/91/859768391.db2.gz QOQMMTSQBSTGCB-LJQANCHMSA-N 1 0 380.517 3.586 20 30 GHEDRO C[N@H+](CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000484024208 859771106 /nfs/dbraw/zinc/77/11/06/859771106.db2.gz ILNMAZJTMNLXQH-FGZHOGPDSA-N 1 0 394.494 3.739 20 30 GHEDRO C[C@@H]([C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCC1 ZINC000543463845 859784071 /nfs/dbraw/zinc/78/40/71/859784071.db2.gz VFNWMOJEUSRMGZ-IRXDYDNUSA-N 1 0 379.508 3.877 20 30 GHEDRO CC(C)Oc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000611498590 859785661 /nfs/dbraw/zinc/78/56/61/859785661.db2.gz UIJICTDZNSKAAU-UHFFFAOYSA-N 1 0 377.488 3.762 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000597874881 859887054 /nfs/dbraw/zinc/88/70/54/859887054.db2.gz SFYRKHYSOREACE-UHFFFAOYSA-N 1 0 397.544 3.702 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(C#N)cc3C)CC2)c1 ZINC000161373579 859903379 /nfs/dbraw/zinc/90/33/79/859903379.db2.gz IWSGNAWXYCTRHG-UHFFFAOYSA-N 1 0 390.531 3.507 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1 ZINC000727105108 859938468 /nfs/dbraw/zinc/93/84/68/859938468.db2.gz KKZMYUGXPPCJOG-UHFFFAOYSA-N 1 0 379.504 3.829 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000552125077 859969617 /nfs/dbraw/zinc/96/96/17/859969617.db2.gz GLNWZVZDNHNXPA-FQEVSTJZSA-N 1 0 383.879 3.787 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c(C#N)c1C ZINC000161472779 859986352 /nfs/dbraw/zinc/98/63/52/859986352.db2.gz SZKSRISWDCSQRM-FQEVSTJZSA-N 1 0 399.516 3.933 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000727241461 860010657 /nfs/dbraw/zinc/01/06/57/860010657.db2.gz PDQBCVOETFXWDB-FGZHOGPDSA-N 1 0 381.520 3.713 20 30 GHEDRO CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598042868 860020341 /nfs/dbraw/zinc/02/03/41/860020341.db2.gz ZGTLZBDNYZLJLA-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@@H](c1cccs1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510275 860049490 /nfs/dbraw/zinc/04/94/90/860049490.db2.gz LLHGEWRGWSVSAP-INIZCTEOSA-N 1 0 382.533 3.987 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3cnc4cc(F)c(F)cc4n3)CC2)c1 ZINC000593515173 860097358 /nfs/dbraw/zinc/09/73/58/860097358.db2.gz KHVUXUCZOSDDCG-UHFFFAOYSA-N 1 0 379.414 3.856 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1OCc1ccccc1 ZINC001170384439 881499918 /nfs/dbraw/zinc/49/99/18/881499918.db2.gz BKCGCBDFALNLSM-RTWAWAEBSA-N 1 0 377.488 3.860 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000602534805 860103822 /nfs/dbraw/zinc/10/38/22/860103822.db2.gz RMJDHSRSOFPUNV-JKSUJKDBSA-N 1 0 396.354 3.553 20 30 GHEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602560022 860111606 /nfs/dbraw/zinc/11/16/06/860111606.db2.gz HQLRKGWCFMCFAP-KMFMINBZSA-N 1 0 378.314 3.565 20 30 GHEDRO CCc1nc(CN2CCC(C[NH2+][C@H](C)CC3(C#N)CCOCC3)CC2)cs1 ZINC000602559794 860111986 /nfs/dbraw/zinc/11/19/86/860111986.db2.gz VPEMJCZNWXWAOZ-QGZVFWFLSA-N 1 0 390.597 3.606 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000602570248 860120942 /nfs/dbraw/zinc/12/09/42/860120942.db2.gz SDKWBPDRTOKLMU-GJZGRUSLSA-N 1 0 381.314 3.905 20 30 GHEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000602551486 860126265 /nfs/dbraw/zinc/12/62/65/860126265.db2.gz OKQGBWQYHULBIC-ZDUSSCGKSA-N 1 0 387.343 3.531 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CCC[NH+]2CCCC2)c1C#N ZINC000499908190 860147623 /nfs/dbraw/zinc/14/76/23/860147623.db2.gz MFXNQIQRDUJWRO-UHFFFAOYSA-N 1 0 399.583 3.838 20 30 GHEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3cc(C#N)ccc3Cl)CC2)CC1 ZINC000185423248 860152467 /nfs/dbraw/zinc/15/24/67/860152467.db2.gz WUMXPJZLYFOWEU-UHFFFAOYSA-N 1 0 395.956 3.533 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000484602459 860173582 /nfs/dbraw/zinc/17/35/82/860173582.db2.gz VYEGHHWEOGDTHI-RTBURBONSA-N 1 0 375.561 3.672 20 30 GHEDRO C[NH+]1CCC(N(Cc2cccc(C#N)n2)Cc2ccccc2Br)CC1 ZINC000602672382 860191034 /nfs/dbraw/zinc/19/10/34/860191034.db2.gz XUDMVCRZERGKTQ-UHFFFAOYSA-N 1 0 399.336 3.812 20 30 GHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908263 860342344 /nfs/dbraw/zinc/34/23/44/860342344.db2.gz BQEPJEOWNSDJIY-MRXNPFEDSA-N 1 0 385.471 3.708 20 30 GHEDRO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908258 860342580 /nfs/dbraw/zinc/34/25/80/860342580.db2.gz BQEPAQXOKGDGRX-OXJNMPFZSA-N 1 0 394.544 3.946 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000904330777 860345761 /nfs/dbraw/zinc/34/57/61/860345761.db2.gz CDPHZBSNAXOREP-XXBNENTESA-N 1 0 390.487 3.791 20 30 GHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3ccc(C#N)cn3)CC2)C1=O ZINC000602906432 860358394 /nfs/dbraw/zinc/35/83/94/860358394.db2.gz IPWYVOPGFMYWJG-AOMKIAJQSA-N 1 0 392.478 3.634 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170397652 881530147 /nfs/dbraw/zinc/53/01/47/881530147.db2.gz FPOLKTQOVWOVOX-WWZQOZIASA-N 1 0 381.520 3.942 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)CC1 ZINC001170398373 881531366 /nfs/dbraw/zinc/53/13/66/881531366.db2.gz PFWCAFRROQUSFL-UZGSZPBKSA-N 1 0 388.515 3.680 20 30 GHEDRO COc1cccnc1O[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399089 881532665 /nfs/dbraw/zinc/53/26/65/881532665.db2.gz YJSOUDDBDUBOPV-LRZVDXDASA-N 1 0 377.488 3.947 20 30 GHEDRO CCC1([NH+](C)C)CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000602966618 860399362 /nfs/dbraw/zinc/39/93/62/860399362.db2.gz LXICYNAGVQVSDQ-KRWDZBQOSA-N 1 0 388.581 3.826 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C(=O)Nc1ccccc1C#N ZINC000552239515 860404000 /nfs/dbraw/zinc/40/40/00/860404000.db2.gz SOGMTNJWJQIMNW-QTJFZDIUSA-N 1 0 385.414 3.753 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000598603775 860431359 /nfs/dbraw/zinc/43/13/59/860431359.db2.gz KANXOYWQPKEORB-QUCCMNQESA-N 1 0 380.467 3.807 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCCn3nccc31)CCCCC2 ZINC000603026814 860436266 /nfs/dbraw/zinc/43/62/66/860436266.db2.gz CYWKIPCQPIXGEP-INIZCTEOSA-N 1 0 383.521 3.538 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1O ZINC000237363591 860438980 /nfs/dbraw/zinc/43/89/80/860438980.db2.gz IWQHMZGKWKNTSJ-LJQANCHMSA-N 1 0 395.478 3.899 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)on2)c1 ZINC000329887524 860450700 /nfs/dbraw/zinc/45/07/00/860450700.db2.gz XNDYRNKYZQEAMK-UHFFFAOYSA-N 1 0 378.476 3.740 20 30 GHEDRO COc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1 ZINC000155248131 860453494 /nfs/dbraw/zinc/45/34/94/860453494.db2.gz JKHIXAGJBFCYGE-MRXNPFEDSA-N 1 0 395.528 3.935 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000922675190 860462393 /nfs/dbraw/zinc/46/23/93/860462393.db2.gz BBVNYOOQVKIUDD-MOPGFXCFSA-N 1 0 381.442 3.612 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CCC(C[NH3+])(c4ccccc4)CC3)cc21 ZINC000904538822 860500571 /nfs/dbraw/zinc/50/05/71/860500571.db2.gz LNRNPYJRTVXAEW-UHFFFAOYSA-N 1 0 389.503 3.747 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000509002510 860507573 /nfs/dbraw/zinc/50/75/73/860507573.db2.gz RKEIIKODSOKUIZ-UHFFFAOYSA-N 1 0 393.560 3.866 20 30 GHEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c(C(F)(F)F)c2)n1 ZINC000598719057 860527670 /nfs/dbraw/zinc/52/76/70/860527670.db2.gz FMRCGSGPYJDXKV-QGZVFWFLSA-N 1 0 394.441 3.898 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000896210306 860544652 /nfs/dbraw/zinc/54/46/52/860544652.db2.gz JEBHYMYLJOOUFV-KZNAEPCWSA-N 1 0 379.545 3.568 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2cccc(C#N)c2C)[NH+]2CCCCC2)cc1 ZINC000509017362 860550544 /nfs/dbraw/zinc/55/05/44/860550544.db2.gz UOOJAKSGTXGWSV-QFIPXVFZSA-N 1 0 377.488 3.832 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000624985261 860627057 /nfs/dbraw/zinc/62/70/57/860627057.db2.gz SWGIXLJVFJALOW-HMXCVIKNSA-N 1 0 395.551 3.805 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@H+](Cc1ccc(C#N)cc1)C1CC1)O2 ZINC001168414318 860689972 /nfs/dbraw/zinc/68/99/72/860689972.db2.gz OWKPCWZITOKDIE-FQEVSTJZSA-N 1 0 397.519 3.691 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000153018439 881569365 /nfs/dbraw/zinc/56/93/65/881569365.db2.gz DIMKJRHJLUSVSV-AZUAARDMSA-N 1 0 380.488 3.991 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000603444264 860705547 /nfs/dbraw/zinc/70/55/47/860705547.db2.gz UGMRFURWXSAFJX-GHTZIAJQSA-N 1 0 379.504 3.741 20 30 GHEDRO COC[C@@H](C)Oc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599004435 860722300 /nfs/dbraw/zinc/72/23/00/860722300.db2.gz DAVBZECLTVUDLD-GOSISDBHSA-N 1 0 380.488 3.767 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000156263548 860731794 /nfs/dbraw/zinc/73/17/94/860731794.db2.gz CADKVODLHYOWDV-LEWJYISDSA-N 1 0 396.922 3.841 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000599064348 860771146 /nfs/dbraw/zinc/77/11/46/860771146.db2.gz BIXROSCZJMEWFH-IBGZPJMESA-N 1 0 378.463 3.872 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599083985 860786441 /nfs/dbraw/zinc/78/64/41/860786441.db2.gz RVDHCTGMQMOGPH-MISYRCLQSA-N 1 0 381.545 3.972 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000730124282 860890272 /nfs/dbraw/zinc/89/02/72/860890272.db2.gz WLJCOEVLYQEEQH-UHFFFAOYSA-N 1 0 384.568 3.905 20 30 GHEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1=O ZINC000329001641 860940203 /nfs/dbraw/zinc/94/02/03/860940203.db2.gz LHVCRRAUAUUPCM-OIISXLGYSA-N 1 0 390.325 3.843 20 30 GHEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000329010337 860945433 /nfs/dbraw/zinc/94/54/33/860945433.db2.gz HVTSIGASIWTKHF-IBGZPJMESA-N 1 0 395.613 3.589 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)C12CCOCC2 ZINC000329023660 860953607 /nfs/dbraw/zinc/95/36/07/860953607.db2.gz UNRDDOVCOOSKJM-CVEARBPZSA-N 1 0 397.313 3.601 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)C(=O)NCc2ccccc2)cc1OC ZINC000623374979 860962460 /nfs/dbraw/zinc/96/24/60/860962460.db2.gz XSOVNQGJNHZVPJ-HNNXBMFYSA-N 1 0 388.895 3.708 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CC1 ZINC000329087799 861006752 /nfs/dbraw/zinc/00/67/52/861006752.db2.gz VKKNLEWVQMKXPC-UHFFFAOYSA-N 1 0 391.519 3.708 20 30 GHEDRO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000329101744 861018537 /nfs/dbraw/zinc/01/85/37/861018537.db2.gz ZVEJYPPNSNHNAB-URVUXULASA-N 1 0 377.573 3.713 20 30 GHEDRO COC(=O)c1csc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593725496 861029247 /nfs/dbraw/zinc/02/92/47/861029247.db2.gz NHLHONRRUXYWTB-HNNXBMFYSA-N 1 0 383.517 3.722 20 30 GHEDRO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000329122897 861040661 /nfs/dbraw/zinc/04/06/61/861040661.db2.gz RMHQLACONOUCJT-MJGOQNOKSA-N 1 0 375.557 3.779 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329127372 861043180 /nfs/dbraw/zinc/04/31/80/861043180.db2.gz MYRMZOMOPHSSMK-HBXLWWENSA-N 1 0 377.504 3.527 20 30 GHEDRO C[C@H](C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000329130172 861051526 /nfs/dbraw/zinc/05/15/26/861051526.db2.gz WSSBKJPHFVQPDT-JMUQELJHSA-N 1 0 386.536 3.624 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccc(OC)cc2)cc1 ZINC000599318947 861057893 /nfs/dbraw/zinc/05/78/93/861057893.db2.gz WOWBRRIJRUEONS-UGKGYDQZSA-N 1 0 380.488 3.632 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)CCOCC1 ZINC000599356941 861100087 /nfs/dbraw/zinc/10/00/87/861100087.db2.gz PAJURIWYNRZBSC-KNQAVFIVSA-N 1 0 382.479 3.770 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)cc1OC ZINC000623492419 861116429 /nfs/dbraw/zinc/11/64/29/861116429.db2.gz YIQYGANMVHFVKR-HBFSDRIKSA-N 1 0 381.900 3.730 20 30 GHEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599358907 861120757 /nfs/dbraw/zinc/12/07/57/861120757.db2.gz IQQGZGNGDKXEMJ-JYJNAYRXSA-N 1 0 384.442 3.858 20 30 GHEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000329220464 861161754 /nfs/dbraw/zinc/16/17/54/861161754.db2.gz BJRKJWQHEJAQET-SOAGJPPSSA-N 1 0 392.588 3.674 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1OC ZINC000623529526 861162234 /nfs/dbraw/zinc/16/22/34/861162234.db2.gz MZXZPBCSNXUZPH-UHFFFAOYSA-N 1 0 375.900 3.816 20 30 GHEDRO O=C(NCc1cccc2c1OCCCO2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329222085 861164001 /nfs/dbraw/zinc/16/40/01/861164001.db2.gz VUOYJMDXZOWECP-KRWDZBQOSA-N 1 0 376.522 3.522 20 30 GHEDRO Cc1cc(C(C)(C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)ccc1Br ZINC000599425067 861166288 /nfs/dbraw/zinc/16/62/88/861166288.db2.gz XUYLRBQCFQUGCZ-INIZCTEOSA-N 1 0 395.341 3.654 20 30 GHEDRO Cc1nc([C@@H]2CCCN(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)n[nH]1 ZINC000329228252 861168943 /nfs/dbraw/zinc/16/89/43/861168943.db2.gz AJTHQZFKCTXRQI-FOIQADDNSA-N 1 0 381.524 3.889 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1OC ZINC000623540652 861181593 /nfs/dbraw/zinc/18/15/93/861181593.db2.gz AMSBRTASHLPPFG-YJBOKZPZSA-N 1 0 391.899 3.657 20 30 GHEDRO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000027776878 863264162 /nfs/dbraw/zinc/26/41/62/863264162.db2.gz KVCPAOFWZQDBHG-UHFFFAOYSA-N 1 0 377.488 3.830 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CCCOC1 ZINC000593066843 863393896 /nfs/dbraw/zinc/39/38/96/863393896.db2.gz GURJDVIOPPQRIW-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CCC2)cc1 ZINC000593937002 863424717 /nfs/dbraw/zinc/42/47/17/863424717.db2.gz MCQRXQPCNOPGCA-IBGZPJMESA-N 1 0 378.476 3.667 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000593946905 863445899 /nfs/dbraw/zinc/44/58/99/863445899.db2.gz CGHYYOLYANTPPE-IBGZPJMESA-N 1 0 390.531 3.826 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000281910091 863465758 /nfs/dbraw/zinc/46/57/58/863465758.db2.gz GKBVJHDZYURXRY-UHFFFAOYSA-N 1 0 382.407 3.549 20 30 GHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593957717 863469210 /nfs/dbraw/zinc/46/92/10/863469210.db2.gz QPSVLYXVLRXUKU-UHFFFAOYSA-N 1 0 378.398 3.948 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000444167756 863582899 /nfs/dbraw/zinc/58/28/99/863582899.db2.gz FZKGSDWVVKHFCJ-NHCUHLMSSA-N 1 0 384.568 3.745 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)c(OC)c1 ZINC000606449781 863624644 /nfs/dbraw/zinc/62/46/44/863624644.db2.gz DLHUIEIOGKEORH-OXQOHEQNSA-N 1 0 385.479 3.922 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594003465 863715533 /nfs/dbraw/zinc/71/55/33/863715533.db2.gz ICWVLLMZNGYXNR-DNVFCKCGSA-N 1 0 375.516 3.764 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC000103097405 863866072 /nfs/dbraw/zinc/86/60/72/863866072.db2.gz ZXWXYHWSTWOBIJ-IBGZPJMESA-N 1 0 386.536 3.988 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCCO1 ZINC000594043478 863916014 /nfs/dbraw/zinc/91/60/14/863916014.db2.gz NVUBGOKWYRPNPO-DLBZAZTESA-N 1 0 375.538 3.764 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000557064434 881724630 /nfs/dbraw/zinc/72/46/30/881724630.db2.gz DOTJUUVYAVPQJW-UHFFFAOYSA-N 1 0 382.430 3.700 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594066646 864070403 /nfs/dbraw/zinc/07/04/03/864070403.db2.gz RRTOJAOVTAQEJR-BGYRXZFFSA-N 1 0 392.503 3.907 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000594067786 864089969 /nfs/dbraw/zinc/08/99/69/864089969.db2.gz UCRHHEMHFQIHMF-MAEOIBBWSA-N 1 0 394.475 3.821 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734300723 864135000 /nfs/dbraw/zinc/13/50/00/864135000.db2.gz TYIBZRSSTNKOSF-NQIIRXRSSA-N 1 0 378.472 3.781 20 30 GHEDRO C=CCCC1(CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCCC1 ZINC000665589597 864170748 /nfs/dbraw/zinc/17/07/48/864170748.db2.gz ALDIEDYAKZWHDZ-UHFFFAOYSA-N 1 0 390.616 3.572 20 30 GHEDRO Cc1ccc(C)c(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000734361619 864176948 /nfs/dbraw/zinc/17/69/48/864176948.db2.gz GMVOJAJTVQWFMN-KRWDZBQOSA-N 1 0 381.549 3.883 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000734363733 864177694 /nfs/dbraw/zinc/17/76/94/864177694.db2.gz ONRKOSVFGRDQET-PDOICOKGSA-N 1 0 387.597 3.568 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000172971370 864204588 /nfs/dbraw/zinc/20/45/88/864204588.db2.gz IBFAZSUHSVROEF-OAQYLSRUSA-N 1 0 387.487 3.621 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[NH+]1CCCCC1 ZINC000734428660 864215061 /nfs/dbraw/zinc/21/50/61/864215061.db2.gz NPMGMIAISJSEPR-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3COCC[C@@H]32)sc2c1CCCCC2 ZINC000532312283 881744332 /nfs/dbraw/zinc/74/43/32/881744332.db2.gz DWAIFKSSXLLBDH-YJBOKZPZSA-N 1 0 387.549 3.718 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C#N ZINC000025813907 864313626 /nfs/dbraw/zinc/31/36/26/864313626.db2.gz SJLWBCCSWOMHJP-KRWDZBQOSA-N 1 0 386.546 3.647 20 30 GHEDRO COc1ccc2oc([C@@H](C)[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)c(C)c2c1 ZINC000184328219 864369643 /nfs/dbraw/zinc/36/96/43/864369643.db2.gz SFGIOVNMOWMZOI-OAHLLOKOSA-N 1 0 398.484 3.746 20 30 GHEDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)c(C)c2c1 ZINC000184331662 864370461 /nfs/dbraw/zinc/37/04/61/864370461.db2.gz MBNMOWLGDTVDQP-NVXWUHKLSA-N 1 0 380.444 3.712 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCSC1 ZINC000480274010 864386056 /nfs/dbraw/zinc/38/60/56/864386056.db2.gz KXHVWTJVYPAZKG-OAQYLSRUSA-N 1 0 399.491 3.657 20 30 GHEDRO Cc1c(CON=C(N)c2ccccc2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000072085460 864450301 /nfs/dbraw/zinc/45/03/01/864450301.db2.gz LIEDBEOAOSGBEW-UHFFFAOYSA-N 1 0 382.464 3.726 20 30 GHEDRO N#CCC[C@H](C#N)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000554552154 864517904 /nfs/dbraw/zinc/51/79/04/864517904.db2.gz FDKYDFTZCHTPNY-OAHLLOKOSA-N 1 0 376.298 3.530 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000554566050 864571839 /nfs/dbraw/zinc/57/18/39/864571839.db2.gz OSZGKNDCTQIPPM-FQEVSTJZSA-N 1 0 393.531 3.676 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1ccc2c(c1)OCCO2 ZINC000621925608 864588979 /nfs/dbraw/zinc/58/89/79/864588979.db2.gz GISRIZOSLXWZGE-INIZCTEOSA-N 1 0 386.517 3.554 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1OC ZINC000248135647 864725737 /nfs/dbraw/zinc/72/57/37/864725737.db2.gz NMVIKKZESFEEQW-UHFFFAOYSA-N 1 0 395.503 3.654 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(F)(c2cccnc2)CC1)C(C)C ZINC000480544570 864847045 /nfs/dbraw/zinc/84/70/45/864847045.db2.gz WWLMXWYODLKGOW-FQEVSTJZSA-N 1 0 388.531 3.750 20 30 GHEDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000455947667 864874808 /nfs/dbraw/zinc/87/48/08/864874808.db2.gz RWYNOBKMBZSTEJ-GOSISDBHSA-N 1 0 396.516 3.552 20 30 GHEDRO COc1cc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)ccc1OCC[NH+](C)C ZINC000554794210 864923851 /nfs/dbraw/zinc/92/38/51/864923851.db2.gz DJSBNUOFUWEGEZ-UHFFFAOYSA-N 1 0 398.850 3.878 20 30 GHEDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000792937529 881828676 /nfs/dbraw/zinc/82/86/76/881828676.db2.gz YBGOLNDXRAJCFR-KXBFYZLASA-N 1 0 386.879 3.752 20 30 GHEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc(-c3ccccc3C#N)cc2)O1 ZINC000554847024 865035015 /nfs/dbraw/zinc/03/50/15/865035015.db2.gz OENDPTDDXQGBDO-PARPOCPVSA-N 1 0 390.483 3.909 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000173848989 865157398 /nfs/dbraw/zinc/15/73/98/865157398.db2.gz LGOMLFZYOZRDLS-MRXNPFEDSA-N 1 0 385.508 3.556 20 30 GHEDRO Cc1ccc(C(=O)CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000480733384 865164063 /nfs/dbraw/zinc/16/40/63/865164063.db2.gz UCWYSPJSJHUFAR-UHFFFAOYSA-N 1 0 375.472 3.790 20 30 GHEDRO CCc1cc2c(C[N@H+](CCOC)Cc3ccc(C#N)cc3)cc(=O)oc2cc1O ZINC000063754502 865276588 /nfs/dbraw/zinc/27/65/88/865276588.db2.gz AKNWRBQPXNACMD-UHFFFAOYSA-N 1 0 392.455 3.581 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000792985018 881860263 /nfs/dbraw/zinc/86/02/63/881860263.db2.gz IWLODKZCEUJMKU-GOSISDBHSA-N 1 0 381.867 3.891 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000171720684 865343552 /nfs/dbraw/zinc/34/35/52/865343552.db2.gz CQXPOQZNAYPSPO-UHFFFAOYSA-N 1 0 382.891 3.951 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000594211449 865386395 /nfs/dbraw/zinc/38/63/95/865386395.db2.gz KPFYCCCFLNZRSE-AVRDEDQJSA-N 1 0 391.515 3.699 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]2C[NH+]2CCCCC2)nc1-c1ccncc1 ZINC000738097817 865485795 /nfs/dbraw/zinc/48/57/95/865485795.db2.gz UEXICLWXFRKWFE-LJQANCHMSA-N 1 0 398.580 3.570 20 30 GHEDRO CC[N@H+](CCNC(=O)NC1(c2ccc(C#N)cc2)CCC1)CCC(F)(F)F ZINC000594243078 865535761 /nfs/dbraw/zinc/53/57/61/865535761.db2.gz YAYIZMCGFOTMMT-UHFFFAOYSA-N 1 0 382.430 3.511 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594255574 865619743 /nfs/dbraw/zinc/61/97/43/865619743.db2.gz GYXBZGQPJWUSIK-CVDCTZTESA-N 1 0 375.516 3.765 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)s2)cc1 ZINC000766236284 865622194 /nfs/dbraw/zinc/62/21/94/865622194.db2.gz IUQKNQVUMHEHRW-GOSISDBHSA-N 1 0 395.532 3.744 20 30 GHEDRO CCN(CC)C(=O)C1([NH2+]Cc2ccc(C#N)cc2Br)CCCCC1 ZINC000481094584 865804038 /nfs/dbraw/zinc/80/40/38/865804038.db2.gz QZCUBMZLFWDRRW-UHFFFAOYSA-N 1 0 392.341 3.982 20 30 GHEDRO C=C(C)Cn1c(CC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000555268228 865805501 /nfs/dbraw/zinc/80/55/01/865805501.db2.gz IVVQHBJXDXPPKD-LEWJYISDSA-N 1 0 379.552 3.908 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000555255394 865810755 /nfs/dbraw/zinc/81/07/55/865810755.db2.gz JHDVUHJFUCNWMZ-RTBURBONSA-N 1 0 382.556 3.940 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000739989110 865820930 /nfs/dbraw/zinc/82/09/30/865820930.db2.gz HNKHJMIHOYAWLC-FDDCHVKYSA-N 1 0 391.515 3.937 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609017860 865893462 /nfs/dbraw/zinc/89/34/62/865893462.db2.gz IWZOYKYSWJHJDA-AVRDEDQJSA-N 1 0 377.488 3.669 20 30 GHEDRO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2ccnn2C)c1 ZINC000555323119 865921444 /nfs/dbraw/zinc/92/14/44/865921444.db2.gz NGLVCCJEQYGLFN-DEOSSOPVSA-N 1 0 385.515 3.778 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000174602527 865921971 /nfs/dbraw/zinc/92/19/71/865921971.db2.gz ARFNQDWNAPSBFU-UHFFFAOYSA-N 1 0 377.467 3.694 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)o2)cc1 ZINC000609060563 865940970 /nfs/dbraw/zinc/94/09/70/865940970.db2.gz FJEBLYJWAMTBME-UHFFFAOYSA-N 1 0 385.383 3.563 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2)c1 ZINC000174930291 865956726 /nfs/dbraw/zinc/95/67/26/865956726.db2.gz BOQSWBPEDZYZGT-IBGZPJMESA-N 1 0 395.503 3.755 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000740746009 865992785 /nfs/dbraw/zinc/99/27/85/865992785.db2.gz UFWVMNQQEVAUKO-HSZRJFAPSA-N 1 0 390.531 3.726 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000456015650 866025755 /nfs/dbraw/zinc/02/57/55/866025755.db2.gz AVRZVECYADFHNV-QFIPXVFZSA-N 1 0 375.516 3.765 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+](CCO)[C@H]2CCCSC2)c1 ZINC000475493481 866036096 /nfs/dbraw/zinc/03/60/96/866036096.db2.gz FVJQNIIPTLZSAU-NRFANRHFSA-N 1 0 382.529 3.827 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)C[C@H](CC#N)c3ccccc3)CC2)c1 ZINC000793129060 881935602 /nfs/dbraw/zinc/93/56/02/881935602.db2.gz NWSKZZZULAUMMC-NRFANRHFSA-N 1 0 391.515 3.863 20 30 GHEDRO Cc1sc(NC(=O)CNC(C)(C)c2nc3ccccc3n2C)c(C#N)c1C ZINC000186560573 866156141 /nfs/dbraw/zinc/15/61/41/866156141.db2.gz PBNHFOZHQQPPRR-UHFFFAOYSA-N 1 0 381.505 3.587 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cc1ccc(Br)cc1C#N ZINC000909600309 866402500 /nfs/dbraw/zinc/40/25/00/866402500.db2.gz KKWQTJCSPGMNGI-UHFFFAOYSA-N 1 0 386.293 3.872 20 30 GHEDRO N#Cc1cccc(OCCOC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000741326106 866405928 /nfs/dbraw/zinc/40/59/28/866405928.db2.gz JXKFSVWFKSKJKV-IBGZPJMESA-N 1 0 382.435 3.532 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](CCC#N)c3ccccc3)CC2)c1 ZINC000153402542 866435029 /nfs/dbraw/zinc/43/50/29/866435029.db2.gz HBVNUOHOCYYMQZ-QHCPKHFHSA-N 1 0 390.531 3.668 20 30 GHEDRO CN1CCCc2cc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000303987257 866438695 /nfs/dbraw/zinc/43/86/95/866438695.db2.gz VGHMBGVPRQCRIR-UHFFFAOYSA-N 1 0 378.398 3.894 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000609984634 866525403 /nfs/dbraw/zinc/52/54/03/866525403.db2.gz STWSZDXPELQDED-FQEVSTJZSA-N 1 0 381.451 3.902 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCCCOc2ccc3ccccc3c2)cc1OC ZINC000305051041 866538266 /nfs/dbraw/zinc/53/82/66/866538266.db2.gz HEKUGFISICSRKM-UHFFFAOYSA-N 1 0 393.487 3.730 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000534353200 866602309 /nfs/dbraw/zinc/60/23/09/866602309.db2.gz RDKPLXAUXNENLJ-UHFFFAOYSA-N 1 0 380.323 3.704 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000305657985 866616071 /nfs/dbraw/zinc/61/60/71/866616071.db2.gz GAVRZOLJLOISAN-QGZVFWFLSA-N 1 0 395.862 3.737 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)c2occc2COc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000523289075 867028736 /nfs/dbraw/zinc/02/87/36/867028736.db2.gz XSESLFXYGAFCGW-GAJHUEQPSA-N 1 0 395.503 3.971 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](CO)c2ccccc2)c1C#N ZINC000183650503 867030869 /nfs/dbraw/zinc/03/08/69/867030869.db2.gz VHERJBQVPZJCIS-OAQYLSRUSA-N 1 0 394.519 3.744 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282085573 867128850 /nfs/dbraw/zinc/12/88/50/867128850.db2.gz OHEXKTMHTGZLFK-VQIMIIECSA-N 1 0 387.549 3.958 20 30 GHEDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000444776016 867218105 /nfs/dbraw/zinc/21/81/05/867218105.db2.gz KCLPLCZKEHTJII-FQEVSTJZSA-N 1 0 377.916 3.522 20 30 GHEDRO N#CC1(NC(=O)c2ccc(C(F)(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479211140 867361633 /nfs/dbraw/zinc/36/16/33/867361633.db2.gz FKJBSLPVXRVLSC-UHFFFAOYSA-N 1 0 387.405 3.994 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3OC)C2)cc(OC)c1 ZINC000121506417 867382837 /nfs/dbraw/zinc/38/28/37/867382837.db2.gz AELISPDLGFVCMX-SFHVURJKSA-N 1 0 381.476 3.661 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000479283797 867482492 /nfs/dbraw/zinc/48/24/92/867482492.db2.gz RTBAYJREGLHAKJ-UHFFFAOYSA-N 1 0 395.551 3.610 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000479284757 867483525 /nfs/dbraw/zinc/48/35/25/867483525.db2.gz MTFTYQCROWXFTN-RBUKOAKNSA-N 1 0 375.561 3.815 20 30 GHEDRO C=CC[C@@H]1N(C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CCCC1(C)C ZINC000444970286 867541061 /nfs/dbraw/zinc/54/10/61/867541061.db2.gz YPOVAOKQTWFKDG-ZCNNSNEGSA-N 1 0 379.589 3.900 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000534836539 867570030 /nfs/dbraw/zinc/57/00/30/867570030.db2.gz DSRFPSNHQYFHHB-KRWDZBQOSA-N 1 0 384.545 3.761 20 30 GHEDRO COc1cc(CNc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)ccc1C#N ZINC000440626076 867598343 /nfs/dbraw/zinc/59/83/43/867598343.db2.gz MXLCSDRJQUGKBS-UHFFFAOYSA-N 1 0 392.503 3.993 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000553539776 867605572 /nfs/dbraw/zinc/60/55/72/867605572.db2.gz VZAGCZGJJXZAJW-QFIPXVFZSA-N 1 0 392.499 3.955 20 30 GHEDRO COc1cc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)ccc1C#N ZINC000440626519 867639207 /nfs/dbraw/zinc/63/92/07/867639207.db2.gz OBSOLXKTUPYHFN-UHFFFAOYSA-N 1 0 379.382 3.928 20 30 GHEDRO C[NH+]1CCC(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000743037082 867770778 /nfs/dbraw/zinc/77/07/78/867770778.db2.gz QYDDVBFHMPUCCA-UHFFFAOYSA-N 1 0 384.480 3.870 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)C(N)=O)cc1 ZINC000523735742 867873728 /nfs/dbraw/zinc/87/37/28/867873728.db2.gz YMIGWRKGMMBJKO-PRRZOPQCSA-N 1 0 393.490 3.972 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000743193975 867938053 /nfs/dbraw/zinc/93/80/53/867938053.db2.gz CCNOSAGKDNCOJX-SFHVURJKSA-N 1 0 385.439 3.698 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000743199223 867949807 /nfs/dbraw/zinc/94/98/07/867949807.db2.gz BEOAXESWRXANRO-UHFFFAOYSA-N 1 0 381.451 3.755 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@H]([NH+](CC)CC)C2)c1=S ZINC000743395918 868157207 /nfs/dbraw/zinc/15/72/07/868157207.db2.gz ZNVDRWVBNJRNDX-SFHVURJKSA-N 1 0 389.544 3.780 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H](C[N@@H+](C)CC)C2)c1=S ZINC000743398581 868159529 /nfs/dbraw/zinc/15/95/29/868159529.db2.gz JTCOREZOFNUPTF-GOSISDBHSA-N 1 0 385.581 3.807 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000248799306 868170680 /nfs/dbraw/zinc/17/06/80/868170680.db2.gz ZROZNHUIZRWDNN-VPWXQRGCSA-N 1 0 381.476 3.853 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)ccc1OC(F)F ZINC000743750037 868394365 /nfs/dbraw/zinc/39/43/65/868394365.db2.gz TXHIMTRYGQMHFN-UHFFFAOYSA-N 1 0 375.419 3.936 20 30 GHEDRO C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(C)(C)C[NH+](C)C ZINC000479754156 868463254 /nfs/dbraw/zinc/46/32/54/868463254.db2.gz MCQCYKOMOOYIJS-KRWDZBQOSA-N 1 0 379.504 3.843 20 30 GHEDRO CC[N@H+](CCOc1cccc(C#N)c1)Cc1cc(Br)ccc1O ZINC000743871994 868469953 /nfs/dbraw/zinc/46/99/53/868469953.db2.gz MQMITSYJAQJQCT-UHFFFAOYSA-N 1 0 375.266 3.927 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508846036 868505597 /nfs/dbraw/zinc/50/55/97/868505597.db2.gz FDVOPRYOZBBZPH-IBGZPJMESA-N 1 0 383.540 3.520 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000669807187 868524360 /nfs/dbraw/zinc/52/43/60/868524360.db2.gz FQKCZXOTIQKPGH-IBGZPJMESA-N 1 0 390.535 3.601 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1 ZINC000553991422 868571170 /nfs/dbraw/zinc/57/11/70/868571170.db2.gz IEJBGXWUGJMBOS-LJQANCHMSA-N 1 0 393.462 3.798 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000554014901 868624804 /nfs/dbraw/zinc/62/48/04/868624804.db2.gz KJGDWWNILLQDTL-NRFANRHFSA-N 1 0 397.544 3.857 20 30 GHEDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000157347304 868631361 /nfs/dbraw/zinc/63/13/61/868631361.db2.gz NQKUNKGFKOWPPT-MRXNPFEDSA-N 1 0 396.453 3.809 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C#N)s3)CCCC2)cc1OC ZINC000428409027 868673181 /nfs/dbraw/zinc/67/31/81/868673181.db2.gz LNGVSFZLHAWIAE-UHFFFAOYSA-N 1 0 385.489 3.678 20 30 GHEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000133406833 882220373 /nfs/dbraw/zinc/22/03/73/882220373.db2.gz ZLNVIZUZLQVSLH-QGZVFWFLSA-N 1 0 396.453 3.811 20 30 GHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000157669453 868727815 /nfs/dbraw/zinc/72/78/15/868727815.db2.gz HQNYRJUJODWCKY-UHFFFAOYSA-N 1 0 399.878 3.777 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669815374 868802996 /nfs/dbraw/zinc/80/29/96/868802996.db2.gz KNRNOJBAMGSCAB-MJGOQNOKSA-N 1 0 383.540 3.751 20 30 GHEDRO NC(=[NH+]OCCCOc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000744445997 868847527 /nfs/dbraw/zinc/84/75/27/868847527.db2.gz MDIJDOKGPVQQDS-UHFFFAOYSA-N 1 0 397.475 3.512 20 30 GHEDRO CC[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCC2(C1)CCOCC2 ZINC000262805002 882241195 /nfs/dbraw/zinc/24/11/95/882241195.db2.gz SJHMRVDOHZMGAJ-UHFFFAOYSA-N 1 0 388.943 3.832 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000445828164 869038774 /nfs/dbraw/zinc/03/87/74/869038774.db2.gz AXIVZADPTYJZDQ-UHFFFAOYSA-N 1 0 379.479 3.610 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccccc2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000776937314 882270108 /nfs/dbraw/zinc/27/01/08/882270108.db2.gz CSVSWPVGHHZKBH-CVDCTZTESA-N 1 0 375.516 3.807 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000446000735 869273512 /nfs/dbraw/zinc/27/35/12/869273512.db2.gz GNAYACIJQMREGQ-ROUUACIJSA-N 1 0 392.425 3.587 20 30 GHEDRO C=CCC[C@H](O)CN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428789144 869310142 /nfs/dbraw/zinc/31/01/42/869310142.db2.gz OBYLUVVNOJBURU-ZEQRLZLVSA-N 1 0 379.548 3.875 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1OC ZINC000539588646 869414976 /nfs/dbraw/zinc/41/49/76/869414976.db2.gz PGQMPXURWVVBDW-SFHVURJKSA-N 1 0 398.341 3.909 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000462467494 869506085 /nfs/dbraw/zinc/50/60/85/869506085.db2.gz UYDXPEIISWDSRL-INIZCTEOSA-N 1 0 378.476 3.581 20 30 GHEDRO CC[C@@H](Cc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000539793544 869789762 /nfs/dbraw/zinc/78/97/62/869789762.db2.gz VPBCMEJKUFPRFP-QFIPXVFZSA-N 1 0 375.516 3.930 20 30 GHEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943731 869909809 /nfs/dbraw/zinc/90/98/09/869909809.db2.gz DPXKGIWOUSWEGK-INIZCTEOSA-N 1 0 379.888 3.684 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ccc(C#N)cc3F)CC2)cc1 ZINC000525116196 870015780 /nfs/dbraw/zinc/01/57/80/870015780.db2.gz SCEPIPSEWHCVRA-UHFFFAOYSA-N 1 0 397.519 3.832 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCc1ccccc1)C1CC1 ZINC000746119011 870061525 /nfs/dbraw/zinc/06/15/25/870061525.db2.gz NUXGWCGFMHZYEV-FQEVSTJZSA-N 1 0 382.467 3.931 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000525273591 870248661 /nfs/dbraw/zinc/24/86/61/870248661.db2.gz SAVJPTUTTFKSSY-MRXNPFEDSA-N 1 0 385.405 3.710 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446715950 870250877 /nfs/dbraw/zinc/25/08/77/870250877.db2.gz GEXHWHKFQOTCRX-DVECYGJZSA-N 1 0 391.515 3.994 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000538692875 870316046 /nfs/dbraw/zinc/31/60/46/870316046.db2.gz RNZBJWCEICSLEB-MRXNPFEDSA-N 1 0 378.476 3.548 20 30 GHEDRO COc1cc(OC)cc(Oc2ccc(C=NNCC[NH+]3CCCCC3)cc2)c1 ZINC000920864521 882398518 /nfs/dbraw/zinc/39/85/18/882398518.db2.gz XSCQOXNLZKFJBS-UHFFFAOYSA-N 1 0 383.492 3.906 20 30 GHEDRO C[C@@H](Cn1ccc2ccccc21)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000508572904 870381848 /nfs/dbraw/zinc/38/18/48/870381848.db2.gz YDLQKMSXQPUDLQ-IBGZPJMESA-N 1 0 388.515 3.739 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001192491044 870428940 /nfs/dbraw/zinc/42/89/40/870428940.db2.gz YZOIMFPMTULLNH-OAQYLSRUSA-N 1 0 379.504 3.855 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccsc1 ZINC000609108230 870443399 /nfs/dbraw/zinc/44/33/99/870443399.db2.gz VBUQUTOHUBWNFB-SFTDATJTSA-N 1 0 396.560 3.788 20 30 GHEDRO C=CCN1CC[C@H]([N@H+]2CCN(c3cccc(C(F)(F)F)c3)C[C@H]2CCC)C1=O ZINC001192537568 870500417 /nfs/dbraw/zinc/50/04/17/870500417.db2.gz UTTOMOUUNGGJNM-MOPGFXCFSA-N 1 0 395.469 3.783 20 30 GHEDRO CC[N@H+](CCC1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1)CC(C)C ZINC000540197928 870739030 /nfs/dbraw/zinc/73/90/30/870739030.db2.gz VDUSJVUGRWFOAY-IBGZPJMESA-N 1 0 384.568 3.965 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000766437335 870767325 /nfs/dbraw/zinc/76/73/25/870767325.db2.gz JYPWQPCOLFBAGP-MJGOQNOKSA-N 1 0 380.488 3.645 20 30 GHEDRO C#CCOCCN(C)CC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC001193023023 870851265 /nfs/dbraw/zinc/85/12/65/870851265.db2.gz YOFGDTZXVMJRBV-UHFFFAOYSA-N 1 0 393.512 3.792 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508869116 870882187 /nfs/dbraw/zinc/88/21/87/870882187.db2.gz GZKSPLVJTJADNP-UWJYYQICSA-N 1 0 396.491 3.984 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001193104812 870886434 /nfs/dbraw/zinc/88/64/34/870886434.db2.gz TZHLPESUMMJGHU-PKOBYXMFSA-N 1 0 390.405 3.806 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000249776442 870908425 /nfs/dbraw/zinc/90/84/25/870908425.db2.gz NOMFQELIHSRMTH-RBUKOAKNSA-N 1 0 398.551 3.743 20 30 GHEDRO N#CCc1ccsc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000867077992 870926209 /nfs/dbraw/zinc/92/62/09/870926209.db2.gz FVQCUUNQFJNBAJ-UHFFFAOYSA-N 1 0 379.529 3.942 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)c1cccc(C#N)c1 ZINC001168904102 870989257 /nfs/dbraw/zinc/98/92/57/870989257.db2.gz IJXVXUQQVYICNC-IFMALSPDSA-N 1 0 377.488 3.799 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000461801621 871028005 /nfs/dbraw/zinc/02/80/05/871028005.db2.gz XUQSDZXKMDIHJC-KRWDZBQOSA-N 1 0 389.503 3.992 20 30 GHEDRO Cc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)c1 ZINC000181490492 871091978 /nfs/dbraw/zinc/09/19/78/871091978.db2.gz PVMNMLHHFPKFLN-WMZHIEFXSA-N 1 0 379.504 3.622 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)ccc1OCCO ZINC000540376357 871108856 /nfs/dbraw/zinc/10/88/56/871108856.db2.gz PQCDDQCCMJLCJY-HNNXBMFYSA-N 1 0 393.405 3.787 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCCOCCc3ccccc3)CC2)cc1 ZINC000181538760 871140524 /nfs/dbraw/zinc/14/05/24/871140524.db2.gz YBIYHDOFJGQTRA-UHFFFAOYSA-N 1 0 377.532 3.762 20 30 GHEDRO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C2CC(OCc3ccccc3)C2)CC1 ZINC001169197137 871289378 /nfs/dbraw/zinc/28/93/78/871289378.db2.gz KQOMLIASAKBTTB-XPPIMPSXSA-N 1 0 379.479 3.756 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C#N)c(C)c1 ZINC000447314460 871360046 /nfs/dbraw/zinc/36/00/46/871360046.db2.gz VFLQONADIXDXDB-UHFFFAOYSA-N 1 0 381.549 3.965 20 30 GHEDRO C[C@@](C#N)(Nc1nc(C2CC[NH2+]CC2)cc2nc[nH]c21)c1ccccc1Cl ZINC001169372240 871436549 /nfs/dbraw/zinc/43/65/49/871436549.db2.gz DKLNMFGZGCANSB-FQEVSTJZSA-N 1 0 380.883 3.929 20 30 GHEDRO Cc1ccc(N2CCC[C@@H]([NH+]3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC001194041891 871459097 /nfs/dbraw/zinc/45/90/97/871459097.db2.gz HKUZFWWSHHDUOE-HSZRJFAPSA-N 1 0 389.499 3.906 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000181891996 871586126 /nfs/dbraw/zinc/58/61/26/871586126.db2.gz QKJUUYKHWQVQNQ-CPJSRVTESA-N 1 0 388.559 3.775 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000463399754 871629345 /nfs/dbraw/zinc/62/93/45/871629345.db2.gz JVLSJFGHHUCNET-DBVUQKKJSA-N 1 0 387.524 3.512 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000539297904 871663642 /nfs/dbraw/zinc/66/36/42/871663642.db2.gz POGWVCWYNZFJAM-ZWKOTPCHSA-N 1 0 394.581 3.523 20 30 GHEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000463403314 871685723 /nfs/dbraw/zinc/68/57/23/871685723.db2.gz GMCBDDLDZDNZQO-AYOQOUSVSA-N 1 0 375.488 3.643 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000539307411 871704167 /nfs/dbraw/zinc/70/41/67/871704167.db2.gz WCGTVLUDUQSSAX-CQSZACIVSA-N 1 0 387.505 3.796 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H](C#N)C3)C2=O)ccc1Br ZINC000618578612 871730726 /nfs/dbraw/zinc/73/07/26/871730726.db2.gz LUAZXXZXSXDFCS-VKJFTORMSA-N 1 0 390.325 3.925 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H](C#N)C3)C2=O)ccc1Br ZINC000618578602 871730906 /nfs/dbraw/zinc/73/09/06/871730906.db2.gz LUAZXXZXSXDFCS-DAYGRLMNSA-N 1 0 390.325 3.925 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182082623 871805376 /nfs/dbraw/zinc/80/53/76/871805376.db2.gz NHGUVAGQXJOSQR-LJQANCHMSA-N 1 0 377.532 4.000 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCCN(C(=O)c4ccccc4)C3)C2)c1 ZINC001169784654 871878255 /nfs/dbraw/zinc/87/82/55/871878255.db2.gz NOXJJRGDWDIKGY-FYYLOGMGSA-N 1 0 389.499 3.706 20 30 GHEDRO N#Cc1cncc(C[N@H+]2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)c1 ZINC001194782230 871928269 /nfs/dbraw/zinc/92/82/69/871928269.db2.gz PDMRHBLKFPLGAA-PKOBYXMFSA-N 1 0 386.293 3.661 20 30 GHEDRO C[C@@]1(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000618828189 872033127 /nfs/dbraw/zinc/03/31/27/872033127.db2.gz AQYNLXWMFDPQRY-UPVQGACJSA-N 1 0 388.515 3.899 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618828354 872034010 /nfs/dbraw/zinc/03/40/10/872034010.db2.gz JSELRZDKEDHRJV-GOTSBHOMSA-N 1 0 388.515 3.755 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618842827 872055593 /nfs/dbraw/zinc/05/55/93/872055593.db2.gz QNINXVLSHQMWLU-QHCPKHFHSA-N 1 0 390.531 3.752 20 30 GHEDRO CCc1cccc2c(C3CC[NH+]([C@@H](C)C(=O)NC4(C#N)CCC4)CC3)c[nH]c21 ZINC000526059101 872059791 /nfs/dbraw/zinc/05/97/91/872059791.db2.gz SRXIUBGVRSHZAP-INIZCTEOSA-N 1 0 378.520 3.861 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000477851797 872063121 /nfs/dbraw/zinc/06/31/21/872063121.db2.gz RXZWFTLUKALQPV-KRWDZBQOSA-N 1 0 395.469 3.868 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000618893668 872116105 /nfs/dbraw/zinc/11/61/05/872116105.db2.gz VGWWBFFZBWWOKP-DENIHFKCSA-N 1 0 377.463 3.713 20 30 GHEDRO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000526110368 872142645 /nfs/dbraw/zinc/14/26/45/872142645.db2.gz OBPXTYHXKUMKLZ-ULUNDTCASA-N 1 0 378.476 3.952 20 30 GHEDRO COc1ccccc1C(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000618966024 872190360 /nfs/dbraw/zinc/19/03/60/872190360.db2.gz QZENVUXZAANDLQ-UHFFFAOYSA-N 1 0 389.503 3.935 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000619068819 872277567 /nfs/dbraw/zinc/27/75/67/872277567.db2.gz OKDVPNGUIVWELW-QFIPXVFZSA-N 1 0 387.487 3.822 20 30 GHEDRO COc1cccc([C@@H](CNc2ccc(C(F)(F)F)c(C#N)n2)[NH+]2CCCC2)c1 ZINC000443409076 872293893 /nfs/dbraw/zinc/29/38/93/872293893.db2.gz VSZDPTDWLXYOEJ-GOSISDBHSA-N 1 0 390.409 3.652 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC000540849717 872308434 /nfs/dbraw/zinc/30/84/34/872308434.db2.gz IOOLMOVBJYVQPW-UHFFFAOYSA-N 1 0 382.895 3.601 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000595455558 872316962 /nfs/dbraw/zinc/31/69/62/872316962.db2.gz AWIPXXJILRZTLG-QFIPXVFZSA-N 1 0 388.515 3.660 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C12CCC2 ZINC000478022484 872364243 /nfs/dbraw/zinc/36/42/43/872364243.db2.gz AJDXSINTRASSQS-ZWKOTPCHSA-N 1 0 387.549 3.717 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022795249 872388415 /nfs/dbraw/zinc/38/84/15/872388415.db2.gz FEGAWQYDRLFLJZ-UHFFFAOYSA-O 1 0 388.944 3.798 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478046306 872414043 /nfs/dbraw/zinc/41/40/43/872414043.db2.gz MIOKPGSHZCQDIG-OALUTQOASA-N 1 0 382.552 3.862 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001195437312 872419752 /nfs/dbraw/zinc/41/97/52/872419752.db2.gz PUGFUTFXUAQRNM-UHFFFAOYSA-N 1 0 387.405 3.976 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000463761473 872517659 /nfs/dbraw/zinc/51/76/59/872517659.db2.gz BQLQHMLAWTWKAB-LJQANCHMSA-N 1 0 384.476 3.728 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)NC1(C#N)CCC1 ZINC000527053224 872561623 /nfs/dbraw/zinc/56/16/23/872561623.db2.gz ABGUUQUMMZVGHV-XKQJLSEDSA-N 1 0 379.426 3.882 20 30 GHEDRO C=CCSCC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000540969026 872611988 /nfs/dbraw/zinc/61/19/88/872611988.db2.gz XKWJQQCTCCRGBX-LBPRGKRZSA-N 1 0 381.343 3.908 20 30 GHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)oc21 ZINC000182656199 872633412 /nfs/dbraw/zinc/63/34/12/872633412.db2.gz MNHGUZVJVBBBID-OAHLLOKOSA-N 1 0 398.484 3.828 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000619427440 872640924 /nfs/dbraw/zinc/64/09/24/872640924.db2.gz IQPRLZGYQKOZLP-IBGZPJMESA-N 1 0 380.517 3.585 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527115071 872694976 /nfs/dbraw/zinc/69/49/76/872694976.db2.gz WDVLYVIGGQVVRI-UHFFFAOYSA-N 1 0 387.487 3.927 20 30 GHEDRO Cc1cc(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)nn1-c1cccc(C#N)c1 ZINC000857927490 882644809 /nfs/dbraw/zinc/64/48/09/882644809.db2.gz RAJSXNBEYVJOKZ-NRFANRHFSA-N 1 0 399.498 3.576 20 30 GHEDRO CC(=O)Nc1ccc2c(C[NH2+]C(C)(C)c3cccc(C#N)c3)cc(=O)oc2c1 ZINC001196040063 872850271 /nfs/dbraw/zinc/85/02/71/872850271.db2.gz UPQZNVPJQNVCAC-UHFFFAOYSA-N 1 0 375.428 3.648 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1C#N ZINC000619654660 872850621 /nfs/dbraw/zinc/85/06/21/872850621.db2.gz OYYBRKVPTPPCFC-KRWDZBQOSA-N 1 0 390.270 3.769 20 30 GHEDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085610 872890398 /nfs/dbraw/zinc/89/03/98/872890398.db2.gz DPKKUXJZGSHMDX-MRXNPFEDSA-N 1 0 388.427 3.646 20 30 GHEDRO COc1ccc(CCC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000619739303 872941197 /nfs/dbraw/zinc/94/11/97/872941197.db2.gz BKEPJGHAGKIKQD-UHFFFAOYSA-N 1 0 383.536 3.682 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756627 872965149 /nfs/dbraw/zinc/96/51/49/872965149.db2.gz AJMHNAKUAJVVFK-HNAYVOBHSA-N 1 0 382.895 3.846 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1Cl ZINC000619780961 872994951 /nfs/dbraw/zinc/99/49/51/872994951.db2.gz MLBIKSVCXFXHOS-GOSISDBHSA-N 1 0 385.870 3.879 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001196311272 873005190 /nfs/dbraw/zinc/00/51/90/873005190.db2.gz DUJLMOVVHIQCNZ-UHFFFAOYSA-N 1 0 376.529 3.778 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000619768257 873005955 /nfs/dbraw/zinc/00/59/55/873005955.db2.gz LXISSSOWZBVNQB-HXUWFJFHSA-N 1 0 382.895 3.848 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000527323986 873011440 /nfs/dbraw/zinc/01/14/40/873011440.db2.gz MWWAWFXGSHKIGZ-HTWSVDAQSA-N 1 0 384.505 3.741 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CN1Cc1ccccc1 ZINC000527349484 873026628 /nfs/dbraw/zinc/02/66/28/873026628.db2.gz CVCQJOJPCURFIW-KBYPABAUSA-N 1 0 390.531 3.896 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC001196328391 873034555 /nfs/dbraw/zinc/03/45/55/873034555.db2.gz HDMHZMYEPZQCGU-AOMKIAJQSA-N 1 0 377.488 3.779 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619827353 873058309 /nfs/dbraw/zinc/05/83/09/873058309.db2.gz DMIVSSVCZXNMQJ-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO C[N@H+](CCC(C)(C)C#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000527505110 873193798 /nfs/dbraw/zinc/19/37/98/873193798.db2.gz MHWCHYWLGPYIIU-UHFFFAOYSA-N 1 0 383.330 3.970 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccccc1O2 ZINC000768376908 873279834 /nfs/dbraw/zinc/27/98/34/873279834.db2.gz VXCDNVYUNOZKDI-UHFFFAOYSA-N 1 0 381.867 3.670 20 30 GHEDRO N#Cc1ccc(SCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000609129294 873580257 /nfs/dbraw/zinc/58/02/57/873580257.db2.gz TVUYUXQHZYBIKI-HXUWFJFHSA-N 1 0 379.529 3.679 20 30 GHEDRO CCOc1ccc(C)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001197151692 873626847 /nfs/dbraw/zinc/62/68/47/873626847.db2.gz KGKOYAXOMFDSCA-UHFFFAOYSA-N 1 0 377.488 3.682 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 ZINC001197246188 873672185 /nfs/dbraw/zinc/67/21/85/873672185.db2.gz PVWIGUCZLNXAFC-OALUTQOASA-N 1 0 378.557 3.815 20 30 GHEDRO C#CCC1(O)CC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001197264331 873682532 /nfs/dbraw/zinc/68/25/32/873682532.db2.gz LVMMNWSJOHYCSU-DEOSSOPVSA-N 1 0 376.544 3.752 20 30 GHEDRO CC(C)(C)c1nc(C#N)c(N=NCc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000746498241 873742654 /nfs/dbraw/zinc/74/26/54/873742654.db2.gz LAQQNPGMZBRCHA-UHFFFAOYSA-N 1 0 381.480 3.764 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464394515 873775262 /nfs/dbraw/zinc/77/52/62/873775262.db2.gz AOGLBUBLLYZJPF-LJQANCHMSA-N 1 0 380.488 3.607 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@]4(C#N)C[C@@H]4C)cc3)CC2)c1 ZINC000448693337 873783051 /nfs/dbraw/zinc/78/30/51/873783051.db2.gz BTDQNKUIOMYSPM-CYFREDJKSA-N 1 0 388.515 3.806 20 30 GHEDRO CCCCCCCOc1cccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000769125558 873827755 /nfs/dbraw/zinc/82/77/55/873827755.db2.gz QGGLTYGFPLJTRM-UHFFFAOYSA-N 1 0 396.597 3.892 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000769233166 873909185 /nfs/dbraw/zinc/90/91/85/873909185.db2.gz OENFJRCZACZGLO-QGZVFWFLSA-N 1 0 388.471 3.700 20 30 GHEDRO N#Cc1cccc(OCC[NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c1 ZINC001197646784 873944975 /nfs/dbraw/zinc/94/49/75/873944975.db2.gz KCUMXNAGMOYNRT-UHFFFAOYSA-N 1 0 391.393 3.894 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)Nc2cccc(C#N)c2)cc1 ZINC001197715087 873998156 /nfs/dbraw/zinc/99/81/56/873998156.db2.gz WIVSBTYPRHAVOD-UHFFFAOYSA-N 1 0 396.516 3.866 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1OC ZINC000448840392 874012965 /nfs/dbraw/zinc/01/29/65/874012965.db2.gz KORDRASNRSLGQP-JOCHJYFZSA-N 1 0 385.508 3.828 20 30 GHEDRO COc1c(C)cnc(CN(C)C(=O)c2cccc(C#N)c2Br)c1C ZINC000448820681 874018267 /nfs/dbraw/zinc/01/82/67/874018267.db2.gz CDTSLJKUDNRECT-UHFFFAOYSA-N 1 0 388.265 3.613 20 30 GHEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1 ZINC000769409246 874029644 /nfs/dbraw/zinc/02/96/44/874029644.db2.gz BEDAVAIIRDSRCE-QGZVFWFLSA-N 1 0 379.508 3.515 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC000769422303 874040530 /nfs/dbraw/zinc/04/05/30/874040530.db2.gz AHOGPKWICIETQP-WMZOPIPTSA-N 1 0 390.524 3.995 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000464561944 874080710 /nfs/dbraw/zinc/08/07/10/874080710.db2.gz YNWMVPPEHYAKRE-GCJKJVERSA-N 1 0 376.504 3.570 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCOC[C@@H](C)C2)cc1OCC ZINC000769458202 874084360 /nfs/dbraw/zinc/08/43/60/874084360.db2.gz YQABAIYFXYPGAS-AWEZNQCLSA-N 1 0 384.314 3.881 20 30 GHEDRO C=CCC1(O)CC[NH+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 ZINC001197920389 874111945 /nfs/dbraw/zinc/11/19/45/874111945.db2.gz BPGKCCJHEZUQKL-UHFFFAOYSA-N 1 0 384.564 3.569 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000448947100 874239518 /nfs/dbraw/zinc/23/95/18/874239518.db2.gz UPLFWTNAFQITGQ-UHFFFAOYSA-N 1 0 378.520 3.660 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1)C(C)C ZINC000464652398 874261056 /nfs/dbraw/zinc/26/10/56/874261056.db2.gz WDNSPMRJLAHLBK-UHFFFAOYSA-N 1 0 388.475 3.622 20 30 GHEDRO N#Cc1cccc([C@H](O)CN2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC001198202405 874270857 /nfs/dbraw/zinc/27/08/57/874270857.db2.gz MFLJZXSADPFFRP-HSZRJFAPSA-N 1 0 375.516 3.679 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000528276692 874298006 /nfs/dbraw/zinc/29/80/06/874298006.db2.gz HZDIIHLPWSMMJE-HXUWFJFHSA-N 1 0 399.441 3.549 20 30 GHEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC1 ZINC000769812753 874303919 /nfs/dbraw/zinc/30/39/19/874303919.db2.gz PODCGEQYBITZJP-YOEHRIQHSA-N 1 0 399.543 3.729 20 30 GHEDRO NC(=[NH+]OCC1CCC(C(F)(F)F)CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000769830552 874313716 /nfs/dbraw/zinc/31/37/16/874313716.db2.gz RDJUGFKYQVSMIO-UHFFFAOYSA-N 1 0 399.457 3.653 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cc(C#N)ccc1F ZINC000769967386 874368742 /nfs/dbraw/zinc/36/87/42/874368742.db2.gz GUBROZGVTYGHDK-HNNXBMFYSA-N 1 0 379.435 3.642 20 30 GHEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000464738824 874379494 /nfs/dbraw/zinc/37/94/94/874379494.db2.gz OQDDBVFLKCPALT-OXQOHEQNSA-N 1 0 388.556 3.852 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000770051055 874426477 /nfs/dbraw/zinc/42/64/77/874426477.db2.gz SBJXRSZPIBCSPZ-HRAATJIYSA-N 1 0 382.504 3.854 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464767184 874457433 /nfs/dbraw/zinc/45/74/33/874457433.db2.gz CMBBUDOSTGGLGM-HZPDHXFCSA-N 1 0 388.581 3.632 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000528356986 874458467 /nfs/dbraw/zinc/45/84/67/874458467.db2.gz IAZCTWNNOMFHHI-FQEVSTJZSA-N 1 0 398.890 3.546 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000464780215 874477400 /nfs/dbraw/zinc/47/74/00/874477400.db2.gz ZBCMILIYERFQRE-WIYYLYMNSA-N 1 0 377.513 3.778 20 30 GHEDRO CCCCCCCOc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000770322919 874597176 /nfs/dbraw/zinc/59/71/76/874597176.db2.gz APHSCYNDHPZCIN-UHFFFAOYSA-N 1 0 396.597 3.892 20 30 GHEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000449270151 874656378 /nfs/dbraw/zinc/65/63/78/874656378.db2.gz PSGAKWVIOCSJRK-MNNVXMFVSA-N 1 0 380.448 3.772 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508879537 874687523 /nfs/dbraw/zinc/68/75/23/874687523.db2.gz GCWDEIOOJSJCST-UHFFFAOYSA-N 1 0 379.552 3.704 20 30 GHEDRO C[C@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000464901948 874715810 /nfs/dbraw/zinc/71/58/10/874715810.db2.gz QHIRFRCQTNGAMU-IBGZPJMESA-N 1 0 393.556 3.914 20 30 GHEDRO C=C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000192220665 882856001 /nfs/dbraw/zinc/85/60/01/882856001.db2.gz NDRNYBLTKKMKFT-FYYLOGMGSA-N 1 0 378.516 3.754 20 30 GHEDRO C=CCNC(=S)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000770586536 874771373 /nfs/dbraw/zinc/77/13/73/874771373.db2.gz HBCPKRYIYKWASO-UHFFFAOYSA-N 1 0 380.561 3.524 20 30 GHEDRO COc1cccc([C@H]2C[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2(C)C)c1 ZINC000528616866 874801483 /nfs/dbraw/zinc/80/14/83/874801483.db2.gz BVAXMUWLYQWPAA-NFBKMPQASA-N 1 0 394.515 3.627 20 30 GHEDRO Cc1ccc(-n2cc(C[NH2+]CCNc3ccc(C#N)cn3)c(C(C)(C)C)n2)cc1 ZINC001199160527 874831744 /nfs/dbraw/zinc/83/17/44/874831744.db2.gz CGXZPIVKMTYZPH-UHFFFAOYSA-N 1 0 388.519 3.947 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)cc1OC ZINC000449419390 874859415 /nfs/dbraw/zinc/85/94/15/874859415.db2.gz AVMXHEBSTQJEPD-JSGCOSHPSA-N 1 0 394.256 3.517 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000770807813 874878095 /nfs/dbraw/zinc/87/80/95/874878095.db2.gz OQFIPAARBIRLDS-HNNXBMFYSA-N 1 0 394.500 3.644 20 30 GHEDRO COc1ccc(Br)c([C@@H](CO)N(C)Cc2ccc(C#N)c(C)c2)c1 ZINC000449473208 874906433 /nfs/dbraw/zinc/90/64/33/874906433.db2.gz RLWKVQAPJIBPQY-LJQANCHMSA-N 1 0 389.293 3.803 20 30 GHEDRO C#CCSCC[NH2+]Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000858143344 882878049 /nfs/dbraw/zinc/87/80/49/882878049.db2.gz VYWWBKXZWPSFOK-GFCCVEGCSA-N 1 0 390.318 3.726 20 30 GHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449515621 874982473 /nfs/dbraw/zinc/98/24/73/874982473.db2.gz AJAGMXBUDMBFNW-KSZLIROESA-N 1 0 378.582 3.806 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3c(O)cccc32)c(OC)c1 ZINC000192349233 882896435 /nfs/dbraw/zinc/89/64/35/882896435.db2.gz FTNGGEMFNVISBY-PXNSSMCTSA-N 1 0 383.488 3.536 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)s2)cc1 ZINC000528874682 875195328 /nfs/dbraw/zinc/19/53/28/875195328.db2.gz KEMZNYOMPAKHPX-GOSISDBHSA-N 1 0 395.532 3.744 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475731809 882908295 /nfs/dbraw/zinc/90/82/95/882908295.db2.gz OIYOYXPDCOSJKH-LJQANCHMSA-N 1 0 392.341 3.716 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1OCC ZINC000449707555 875272167 /nfs/dbraw/zinc/27/21/67/875272167.db2.gz RLZIJCITOHROMJ-GDBMZVCRSA-N 1 0 384.314 3.663 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)cc2)CC1 ZINC000771526984 875313691 /nfs/dbraw/zinc/31/36/91/875313691.db2.gz YGGXASHZRBXKBD-WDZFZDKYSA-N 1 0 389.499 3.564 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H](SCC)C2)c(OC)c1 ZINC000303499193 875711075 /nfs/dbraw/zinc/71/10/75/875711075.db2.gz YDGIVIPSMPBYDC-RBUKOAKNSA-N 1 0 379.566 3.771 20 30 GHEDRO N#Cc1nc(Cl)c(N=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1C#N ZINC001201475780 875729860 /nfs/dbraw/zinc/72/98/60/875729860.db2.gz WFRBHNAIXPPGFA-CVEARBPZSA-N 1 0 376.851 3.606 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(Nc4ccc(C#N)cc4F)cc3)CC2)CC1 ZINC001201570852 875757706 /nfs/dbraw/zinc/75/77/06/875757706.db2.gz LHUDLNFPFQSFLZ-UHFFFAOYSA-N 1 0 393.510 3.657 20 30 GHEDRO COCc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000529208788 875829458 /nfs/dbraw/zinc/82/94/58/875829458.db2.gz DBQROLGKHGHIJT-UHFFFAOYSA-N 1 0 392.503 3.738 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000549902283 875832186 /nfs/dbraw/zinc/83/21/86/875832186.db2.gz QEZUROCRYUFCHO-GJZGRUSLSA-N 1 0 377.423 3.561 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1cscn1)O2 ZINC001201776824 875874992 /nfs/dbraw/zinc/87/49/92/875874992.db2.gz MVEWBWZUYOPGDV-FXAWDEMLSA-N 1 0 379.570 3.857 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@H]21 ZINC001201840313 875899642 /nfs/dbraw/zinc/89/96/42/875899642.db2.gz YDJSWCHBXYDNJM-YPAWHYETSA-N 1 0 394.600 3.998 20 30 GHEDRO COc1cc(Cl)c(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC001201955020 875953523 /nfs/dbraw/zinc/95/35/23/875953523.db2.gz YARARKDUXQAOPY-UHFFFAOYSA-N 1 0 396.878 3.919 20 30 GHEDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000162341280 875984249 /nfs/dbraw/zinc/98/42/49/875984249.db2.gz MWPHQBWQEOXXFE-FUHIMQAGSA-N 1 0 398.551 3.524 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCCO1 ZINC001202074755 876005335 /nfs/dbraw/zinc/00/53/35/876005335.db2.gz UDWLOMIQGMBQNB-TZMCWYRMSA-N 1 0 378.188 3.618 20 30 GHEDRO Cn1cc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)cc1C#N ZINC000491997055 876078375 /nfs/dbraw/zinc/07/83/75/876078375.db2.gz HHNNJJFVZXLQFE-NFBKMPQASA-N 1 0 391.446 3.577 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 ZINC000858272004 882993724 /nfs/dbraw/zinc/99/37/24/882993724.db2.gz AOVLQZOWYUPGOD-SCLBCKFNSA-N 1 0 387.842 3.665 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccc(C)c(F)c2)cc1 ZINC000151919804 876122699 /nfs/dbraw/zinc/12/26/99/876122699.db2.gz SQFBALKRJJVXKO-UHFFFAOYSA-O 1 0 383.472 3.514 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1ccccc1C#N ZINC000030511005 876135730 /nfs/dbraw/zinc/13/57/30/876135730.db2.gz NMPVFEXQGSKKON-QGZVFWFLSA-N 1 0 389.455 3.985 20 30 GHEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1csc(C#N)c1 ZINC001202416602 876187761 /nfs/dbraw/zinc/18/77/61/876187761.db2.gz DKTHUSKRDFCPDB-CYBMUJFWSA-N 1 0 379.323 3.632 20 30 GHEDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(C#N)cc1 ZINC000785710866 876216581 /nfs/dbraw/zinc/21/65/81/876216581.db2.gz GEPKXUJJJPJULD-QGZVFWFLSA-N 1 0 378.472 3.681 20 30 GHEDRO N#Cc1cccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000450394373 876349714 /nfs/dbraw/zinc/34/97/14/876349714.db2.gz RERRURRSVUIJTN-VQTJNVASSA-N 1 0 376.460 3.957 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786109884 876451818 /nfs/dbraw/zinc/45/18/18/876451818.db2.gz NSJOIBKJHUGURO-UHFFFAOYSA-N 1 0 393.487 3.705 20 30 GHEDRO N#Cc1ccccc1OCC[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786110622 876453224 /nfs/dbraw/zinc/45/32/24/876453224.db2.gz VSYSTVZHHNAZDX-UHFFFAOYSA-N 1 0 393.487 3.575 20 30 GHEDRO CCN(CCCO[NH+]=C(N)c1ccc(N2CCCCC2)cc1)CC(F)(F)F ZINC000786112143 876454332 /nfs/dbraw/zinc/45/43/32/876454332.db2.gz PTDZOIQDFBVQTE-UHFFFAOYSA-N 1 0 386.462 3.588 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)cc2)nc1 ZINC000529718032 876557400 /nfs/dbraw/zinc/55/74/00/876557400.db2.gz HVLZPQQJNAFZSI-HXUWFJFHSA-N 1 0 390.487 3.882 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)cc1 ZINC000850367139 876854913 /nfs/dbraw/zinc/85/49/13/876854913.db2.gz SCCISLNEYFNDRD-UHFFFAOYSA-N 1 0 386.540 3.964 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)ccc1OC ZINC000850418537 876899192 /nfs/dbraw/zinc/89/91/92/876899192.db2.gz LWTRRGWTVIXPGM-KRWDZBQOSA-N 1 0 381.394 3.891 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)o1 ZINC000492489781 876959251 /nfs/dbraw/zinc/95/92/51/876959251.db2.gz XYOJWJNFJKUPGF-UGKGYDQZSA-N 1 0 378.403 3.831 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)CC1 ZINC000109577154 877216891 /nfs/dbraw/zinc/21/68/91/877216891.db2.gz RNDKIXHZPVLGTD-UHFFFAOYSA-N 1 0 397.482 3.947 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000609984486 877250285 /nfs/dbraw/zinc/25/02/85/877250285.db2.gz IQIIJGGDTIGKCU-JOCHJYFZSA-N 1 0 377.488 3.549 20 30 GHEDRO Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)ccc1C#N ZINC000443983204 877288884 /nfs/dbraw/zinc/28/88/84/877288884.db2.gz CZTPBNCTOQDOGB-DEOSSOPVSA-N 1 0 383.495 3.884 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(C#N)cc1O)[C@H](C)Cc1ccc(O)cc1 ZINC001183051160 912223302 /nfs/dbraw/zinc/22/33/02/912223302.db2.gz WYBKARWCXGAEPT-MRXNPFEDSA-N 1 0 381.476 3.641 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000610133969 877447965 /nfs/dbraw/zinc/44/79/65/877447965.db2.gz BLZWBIKHQUXELO-GOSISDBHSA-N 1 0 397.544 3.720 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](c3ccccc3)c3ccncn3)C2)c(F)c1 ZINC000530321235 877539170 /nfs/dbraw/zinc/53/91/70/877539170.db2.gz VXVGMTXQBVUHPR-AUSIDOKSSA-N 1 0 387.462 3.835 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)N2CCOCC2)cc1 ZINC000237634167 877724549 /nfs/dbraw/zinc/72/45/49/877724549.db2.gz YICKJHSHLBAQGL-DEOSSOPVSA-N 1 0 393.531 3.841 20 30 GHEDRO C=CCOc1ccccc1C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000642670183 912269166 /nfs/dbraw/zinc/26/91/66/912269166.db2.gz KLWIHPZDIHBEHF-UHFFFAOYSA-N 1 0 379.504 3.641 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615446683 877747026 /nfs/dbraw/zinc/74/70/26/877747026.db2.gz SPLPYZGDPUCFBB-UHFFFAOYSA-N 1 0 386.536 3.987 20 30 GHEDRO C[C@H]1CN(CCCSCC#N)C2(CCCC2)C[N@@H+]1CCCSCC#N ZINC000451342318 877787410 /nfs/dbraw/zinc/78/74/10/877787410.db2.gz NQQHWMVOYITOSU-SFHVURJKSA-N 1 0 380.627 3.599 20 30 GHEDRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551802311 877817357 /nfs/dbraw/zinc/81/73/57/877817357.db2.gz CWCSZHIYLMOQOP-BFUOFWGJSA-N 1 0 399.292 3.834 20 30 GHEDRO N#CCn1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc2ccccc21 ZINC000609160997 877820840 /nfs/dbraw/zinc/82/08/40/877820840.db2.gz UDJBDAYOFAIBGQ-LJQANCHMSA-N 1 0 378.501 3.793 20 30 GHEDRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cn2)n1 ZINC000237698064 877844557 /nfs/dbraw/zinc/84/45/57/877844557.db2.gz CSIQKNUNQKZVNH-UHFFFAOYSA-N 1 0 375.476 3.857 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@H]([NH+]3CCCC3)C2)c1Br ZINC000530475057 877879192 /nfs/dbraw/zinc/87/91/92/877879192.db2.gz PUWZQWPKBLGUCT-HNNXBMFYSA-N 1 0 385.309 3.852 20 30 GHEDRO C#CCOc1ccccc1CNCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000152377410 877897483 /nfs/dbraw/zinc/89/74/83/877897483.db2.gz YPKTWXQOTOMQKZ-HXUWFJFHSA-N 1 0 378.516 3.688 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1Cl ZINC000477658797 878003192 /nfs/dbraw/zinc/00/31/92/878003192.db2.gz BZALJOFOQARITJ-UHFFFAOYSA-N 1 0 381.863 3.996 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000130494183 878066411 /nfs/dbraw/zinc/06/64/11/878066411.db2.gz TWQTZHJKCLRVSK-UHFFFAOYSA-N 1 0 381.476 3.580 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000852087165 878069738 /nfs/dbraw/zinc/06/97/38/878069738.db2.gz DUHJIYTVVUGWGP-UXHICEINSA-N 1 0 376.504 3.905 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)o2)c1 ZINC000451544799 878113260 /nfs/dbraw/zinc/11/32/60/878113260.db2.gz FTYOYVWOLMOZSP-GOSISDBHSA-N 1 0 389.415 3.896 20 30 GHEDRO C#CCC1(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000788513734 878118834 /nfs/dbraw/zinc/11/88/34/878118834.db2.gz SKGAOAGUIAPOLC-FQEVSTJZSA-N 1 0 382.548 3.976 20 30 GHEDRO NC(=NOCc1ccc(-n2cccn2)cc1)c1ccccc1C[NH+]1CCCCC1 ZINC000110454601 878129158 /nfs/dbraw/zinc/12/91/58/878129158.db2.gz XVXOKEMCTAHQIF-UHFFFAOYSA-N 1 0 389.503 3.695 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000852301701 878213429 /nfs/dbraw/zinc/21/34/29/878213429.db2.gz WDAPAQPSDWMDEC-IBGZPJMESA-N 1 0 384.524 3.812 20 30 GHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)ccc21 ZINC000615883915 878217899 /nfs/dbraw/zinc/21/78/99/878217899.db2.gz YDXDODWJXXVQNA-OAQYLSRUSA-N 1 0 394.519 3.615 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1 ZINC000852605045 878461866 /nfs/dbraw/zinc/46/18/66/878461866.db2.gz WHZSPDJEAMBMJN-SFHVURJKSA-N 1 0 379.426 3.571 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(Cl)nc1Cl ZINC000068417262 878488713 /nfs/dbraw/zinc/48/87/13/878488713.db2.gz BMQAJODXPRVYTA-UHFFFAOYSA-N 1 0 395.265 3.603 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cc(C#N)ccc3Cl)cc2)CC1 ZINC000285591060 912353992 /nfs/dbraw/zinc/35/39/92/912353992.db2.gz ASLLUZPDAQLMLI-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460778575 878551101 /nfs/dbraw/zinc/55/11/01/878551101.db2.gz MPXILGHDZJQZHL-PXNSSMCTSA-N 1 0 385.531 3.751 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460797098 878579542 /nfs/dbraw/zinc/57/95/42/878579542.db2.gz WKBULZFJIKZWNM-ICSRJNTNSA-N 1 0 397.567 3.620 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCC[NH2+]1 ZINC000852864527 878636796 /nfs/dbraw/zinc/63/67/96/878636796.db2.gz YXWORVUTUZQEEV-QHCPKHFHSA-N 1 0 398.551 3.528 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093684928 912385287 /nfs/dbraw/zinc/38/52/87/912385287.db2.gz ZAGKVKPCHDYRHC-RDJZCZTQSA-N 1 0 397.441 3.600 20 30 GHEDRO C=CC[NH+]1CCC(N2C(=O)[C@@H](c3cccc(Cl)c3Cl)N(C)C2=O)CC1 ZINC000853084895 878803854 /nfs/dbraw/zinc/80/38/54/878803854.db2.gz BHXKSSYKWCPPFQ-MRXNPFEDSA-N 1 0 382.291 3.579 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000530965606 878817277 /nfs/dbraw/zinc/81/72/77/878817277.db2.gz TYTWQTPLEKKVHQ-VXKWHMMOSA-N 1 0 380.536 3.875 20 30 GHEDRO C#C[C@H]([NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C)C1CCOCC1 ZINC000853115014 878822310 /nfs/dbraw/zinc/82/23/10/878822310.db2.gz CEDCRSVBXMPJFF-PXNSSMCTSA-N 1 0 379.928 3.530 20 30 GHEDRO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000616476167 878870024 /nfs/dbraw/zinc/87/00/24/878870024.db2.gz GOWRHNUCHSRXRY-FQEVSTJZSA-N 1 0 389.565 3.674 20 30 GHEDRO C[NH+](C)C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1cc(F)c(F)c(F)c1 ZINC000853210914 878891854 /nfs/dbraw/zinc/89/18/54/878891854.db2.gz KCJRIBSPJLCAGF-GOSISDBHSA-N 1 0 376.378 3.754 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001183292814 912400615 /nfs/dbraw/zinc/40/06/15/912400615.db2.gz HJWRGGJZUOLJAH-XZOQPEGZSA-N 1 0 399.538 3.960 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452176314 879081308 /nfs/dbraw/zinc/08/13/08/879081308.db2.gz VEWKGMQEBFNSHL-AWEZNQCLSA-N 1 0 382.426 3.827 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccc(C#N)cc1 ZINC000789698939 879180445 /nfs/dbraw/zinc/18/04/45/879180445.db2.gz UXYWLSOEHKEXRS-WNSKOXEYSA-N 1 0 388.471 3.634 20 30 GHEDRO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H](O)c1ccc(C)cc1 ZINC000789733362 879203576 /nfs/dbraw/zinc/20/35/76/879203576.db2.gz KPBTXWBHWFPMHP-JOCHJYFZSA-N 1 0 389.503 3.723 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531153867 879214159 /nfs/dbraw/zinc/21/41/59/879214159.db2.gz QNHLHYZXZJIZDZ-YJBOKZPZSA-N 1 0 395.425 3.921 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000531145686 879235308 /nfs/dbraw/zinc/23/53/08/879235308.db2.gz CRWAVEGVVCEPFZ-RTBURBONSA-N 1 0 375.516 3.895 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](C)[C@H]2CC)c1=S ZINC000774619115 912435885 /nfs/dbraw/zinc/43/58/85/912435885.db2.gz JURCXCHLPXCCHA-ZWKOTPCHSA-N 1 0 377.602 3.706 20 30 GHEDRO C=CC[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccncc1 ZINC000853747210 879259852 /nfs/dbraw/zinc/25/98/52/879259852.db2.gz OPROITWCBANLRG-FGZHOGPDSA-N 1 0 378.520 3.657 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)CCCC2)c1 ZINC000520833580 879364465 /nfs/dbraw/zinc/36/44/65/879364465.db2.gz FVWFKMHYUJQDBA-SFHVURJKSA-N 1 0 383.536 3.828 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc(-c4ccccc4)nc3)C2)c(F)c1 ZINC000068991223 879385668 /nfs/dbraw/zinc/38/56/68/879385668.db2.gz UBWXZLQVFZEXQK-FQEVSTJZSA-N 1 0 387.462 3.913 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000538406848 879395774 /nfs/dbraw/zinc/39/57/74/879395774.db2.gz WFOBHRLNPWEPRA-ACJLOTCBSA-N 1 0 389.377 3.913 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000461219242 879410197 /nfs/dbraw/zinc/41/01/97/879410197.db2.gz RAUDIYVWEOTMEE-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000854062474 879489406 /nfs/dbraw/zinc/48/94/06/879489406.db2.gz QSXJQMOOPZPRED-QHCPKHFHSA-N 1 0 386.499 3.862 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000069078225 879515290 /nfs/dbraw/zinc/51/52/90/879515290.db2.gz FCEPRDHPAMDURU-NRFANRHFSA-N 1 0 382.552 3.500 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494144322 879945377 /nfs/dbraw/zinc/94/53/77/879945377.db2.gz GBXHEKYVXAFSDP-QGZVFWFLSA-N 1 0 390.487 3.944 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)C1 ZINC000247272794 879959133 /nfs/dbraw/zinc/95/91/33/879959133.db2.gz WMJHCWJEFLSLDV-SCTDSRPQSA-N 1 0 388.581 3.681 20 30 GHEDRO COc1ccccc1N1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286013546 912536511 /nfs/dbraw/zinc/53/65/11/912536511.db2.gz JIYYSBJVMJFGKL-FQEVSTJZSA-N 1 0 390.531 3.652 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000466811070 912543901 /nfs/dbraw/zinc/54/39/01/912543901.db2.gz DJOYJHFUGPHNGI-AUSIDOKSSA-N 1 0 390.531 3.795 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)ccc1OC ZINC000113211770 880409847 /nfs/dbraw/zinc/40/98/47/880409847.db2.gz UNSIHGFQFMATJO-NQIIRXRSSA-N 1 0 387.524 3.503 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NC(C)(C)c2cccc(C#N)c2)cc1 ZINC000855362507 880479907 /nfs/dbraw/zinc/47/99/07/880479907.db2.gz NDLAWPRTVOKYGZ-JLHYYAGUSA-N 1 0 377.488 3.563 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)ccc1OC ZINC000113347515 880520213 /nfs/dbraw/zinc/52/02/13/880520213.db2.gz MALLNQXWESLUSV-LPHOPBHVSA-N 1 0 379.460 3.957 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(OC)cc3c2O[C@@H](C)C3)ccc1OC ZINC000113348140 880522050 /nfs/dbraw/zinc/52/20/50/880522050.db2.gz DWAAQWXFJAQFKX-KXBFYZLASA-N 1 0 396.487 3.998 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000286135031 912584948 /nfs/dbraw/zinc/58/49/48/912584948.db2.gz OFKOHVHZWROUQT-UHFFFAOYSA-N 1 0 389.528 3.878 20 30 GHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000429523803 880628466 /nfs/dbraw/zinc/62/84/66/880628466.db2.gz XTJAUMDRRGIYKI-WOJBJXKFSA-N 1 0 398.482 3.591 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000453286484 880727913 /nfs/dbraw/zinc/72/79/13/880727913.db2.gz JPZBMEILWPYKSL-AOIWGVFYSA-N 1 0 375.538 3.594 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531970954 880848641 /nfs/dbraw/zinc/84/86/41/880848641.db2.gz LXDYQCGCTRXRAL-BEFAXECRSA-N 1 0 398.457 3.812 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531970958 880849216 /nfs/dbraw/zinc/84/92/16/880849216.db2.gz LXDYQCGCTRXRAL-DNVCBOLYSA-N 1 0 398.457 3.812 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000453416274 880882536 /nfs/dbraw/zinc/88/25/36/880882536.db2.gz VSEIUMWNNBPSQD-UFYCRDLUSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](Cc3ccccc3C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453462540 880962720 /nfs/dbraw/zinc/96/27/20/880962720.db2.gz HIADGHRWYGPNIJ-QHCPKHFHSA-N 1 0 395.551 3.510 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000453462221 880963634 /nfs/dbraw/zinc/96/36/34/880963634.db2.gz HCFSEQUNNRKGIJ-AABGKKOBSA-N 1 0 387.572 3.797 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000113980264 881021136 /nfs/dbraw/zinc/02/11/36/881021136.db2.gz QVNGVANGEHVQBD-FPOVZHCZSA-N 1 0 398.482 3.609 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000453625042 881116697 /nfs/dbraw/zinc/11/66/97/881116697.db2.gz QSZQVXNYAVZAIO-QFIPXVFZSA-N 1 0 388.508 3.931 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057932988 881201154 /nfs/dbraw/zinc/20/11/54/881201154.db2.gz RNCGHWJQMYFZHP-SFHVURJKSA-N 1 0 375.582 3.503 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000919939175 881213635 /nfs/dbraw/zinc/21/36/35/881213635.db2.gz OOWLHBGKPIXIBD-UHFFFAOYSA-N 1 0 386.536 3.744 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCOCC1 ZINC000858492980 883146204 /nfs/dbraw/zinc/14/62/04/883146204.db2.gz HDYNPPVYSSPLJP-IBGZPJMESA-N 1 0 385.508 3.599 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000193192447 883154393 /nfs/dbraw/zinc/15/43/93/883154393.db2.gz DOWUZXWDTQYLDO-UHFFFAOYSA-N 1 0 394.515 3.697 20 30 GHEDRO N#CCn1c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc2ccccc21 ZINC000609444845 883199146 /nfs/dbraw/zinc/19/91/46/883199146.db2.gz ZDDZIKYZLYBEPT-HXUWFJFHSA-N 1 0 378.520 3.939 20 30 GHEDRO CC(C)[C@@H](C#N)N1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000609487038 883249701 /nfs/dbraw/zinc/24/97/01/883249701.db2.gz VVWWLMUJZHAUNU-HSZRJFAPSA-N 1 0 390.531 3.848 20 30 GHEDRO C[NH+](C)CCCN(C(=O)CSCC#N)C(c1ccccc1)c1ccccc1 ZINC000609517728 883291425 /nfs/dbraw/zinc/29/14/25/883291425.db2.gz MJSDXULGJJDWDQ-UHFFFAOYSA-N 1 0 381.545 3.813 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609529989 883319481 /nfs/dbraw/zinc/31/94/81/883319481.db2.gz ASZBXJDXRXIBKK-WIYYLYMNSA-N 1 0 382.552 3.544 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000761674520 883350111 /nfs/dbraw/zinc/35/01/11/883350111.db2.gz VVNJWUMMKZZSRC-VQIMIIECSA-N 1 0 396.466 3.760 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000609549880 883362698 /nfs/dbraw/zinc/36/26/98/883362698.db2.gz OWWYCEOAVCKUDX-GCJKJVERSA-N 1 0 378.520 3.852 20 30 GHEDRO CC1(C)CC(NC(=O)c2occc2COc2cccc(C#N)c2)CC(C)(C)[NH2+]1 ZINC000102466784 883397588 /nfs/dbraw/zinc/39/75/88/883397588.db2.gz VNHCLXPKUJZXJB-UHFFFAOYSA-N 1 0 381.476 3.769 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cn4cc(Cl)ccc4n3)C2)c(F)c1 ZINC000609600779 883404611 /nfs/dbraw/zinc/40/46/11/883404611.db2.gz RQYMOOQEGBNBME-MRXNPFEDSA-N 1 0 383.858 3.757 20 30 GHEDRO COC(=O)Nc1ccc(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000286361733 912711109 /nfs/dbraw/zinc/71/11/09/912711109.db2.gz ZSOIEOCYRRTVJL-UHFFFAOYSA-N 1 0 378.476 3.538 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000477111647 883733234 /nfs/dbraw/zinc/73/32/34/883733234.db2.gz NVBXSQLVPDXHEI-SFHVURJKSA-N 1 0 389.565 3.532 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)s1 ZINC000136238285 883747060 /nfs/dbraw/zinc/74/70/60/883747060.db2.gz HBLBXLCFCSPTFT-UHFFFAOYSA-N 1 0 388.562 3.851 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000609877701 883765655 /nfs/dbraw/zinc/76/56/55/883765655.db2.gz PGRUNRXEGUQGFU-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccnc2ccccc12 ZINC000609906958 883787616 /nfs/dbraw/zinc/78/76/16/883787616.db2.gz BDEBTHDCBQWWLL-UHFFFAOYSA-N 1 0 386.499 3.629 20 30 GHEDRO N#CCSCCCOC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000805453154 883856424 /nfs/dbraw/zinc/85/64/24/883856424.db2.gz PQWGDUYPHZRSMM-QGZVFWFLSA-N 1 0 386.439 3.631 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCOCc3ccccc3)CC2)c1 ZINC000542506554 883857992 /nfs/dbraw/zinc/85/79/92/883857992.db2.gz FQTPCRFMHFDFBT-UHFFFAOYSA-N 1 0 377.488 3.816 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+](C)C)c1 ZINC000193056204 884030122 /nfs/dbraw/zinc/03/01/22/884030122.db2.gz FECWAVVYRWODDB-FQEVSTJZSA-N 1 0 380.492 3.921 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190303277 884065036 /nfs/dbraw/zinc/06/50/36/884065036.db2.gz RBTFTHYIOZPSFM-HNNXBMFYSA-N 1 0 381.867 3.810 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000190474702 884084880 /nfs/dbraw/zinc/08/48/80/884084880.db2.gz VROROYYSEALHGU-BTYIYWSLSA-N 1 0 399.441 3.536 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897628126 884210542 /nfs/dbraw/zinc/21/05/42/884210542.db2.gz CWMZIQRREVHCFO-BZUAXINKSA-N 1 0 376.526 3.673 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]Cc3nc(C#N)cs3)CC[C@@H]21 ZINC000897629548 884211750 /nfs/dbraw/zinc/21/17/50/884211750.db2.gz LBEZMIOLEWCMJN-FMKPAKJESA-N 1 0 376.526 3.673 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000498375537 884214652 /nfs/dbraw/zinc/21/46/52/884214652.db2.gz VHOOWGNEPHDCSW-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670196822 884329105 /nfs/dbraw/zinc/32/91/05/884329105.db2.gz HZIIFQIOLKRLTK-IBGZPJMESA-N 1 0 376.508 3.560 20 30 GHEDRO N#C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183794954 912826485 /nfs/dbraw/zinc/82/64/85/912826485.db2.gz OXBRYUKFVCJMRN-ZLNRFVROSA-N 1 0 391.490 3.946 20 30 GHEDRO O[C@]1(C(F)(F)F)CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001142539148 884611874 /nfs/dbraw/zinc/61/18/74/884611874.db2.gz VLPSNGKQMLABNV-NWDGAFQWSA-N 1 0 394.718 3.981 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)cc1F ZINC000898162147 884622776 /nfs/dbraw/zinc/62/27/76/884622776.db2.gz NUWJKTAMTJEWCD-UHFFFAOYSA-N 1 0 378.369 3.812 20 30 GHEDRO COc1ccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000102977015 884670840 /nfs/dbraw/zinc/67/08/40/884670840.db2.gz JPAAAANPXUNLMD-NRFANRHFSA-N 1 0 395.528 3.612 20 30 GHEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000542541855 884732166 /nfs/dbraw/zinc/73/21/66/884732166.db2.gz IALAYNOKWDMDMD-IRXDYDNUSA-N 1 0 388.433 3.955 20 30 GHEDRO CCOc1ccc(CCC2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000105400703 884753520 /nfs/dbraw/zinc/75/35/20/884753520.db2.gz VLXRGFWQQPXSAD-QHCPKHFHSA-N 1 0 385.552 3.784 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-n4ccnc4)cc3)C2)c(F)c1 ZINC000237715066 884805543 /nfs/dbraw/zinc/80/55/43/884805543.db2.gz QUZRNXIXGREVBG-IBGZPJMESA-N 1 0 375.451 3.642 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSc1ccc(C#N)cc1 ZINC000103206600 884830939 /nfs/dbraw/zinc/83/09/39/884830939.db2.gz XLSBSQOGVPOFLN-FQEVSTJZSA-N 1 0 394.544 3.558 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H]1C ZINC000498570829 884896332 /nfs/dbraw/zinc/89/63/32/884896332.db2.gz GZLSTFPMLHEZIQ-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000498604580 884974459 /nfs/dbraw/zinc/97/44/59/884974459.db2.gz IOCIYUIFMCHZGS-UHFFFAOYSA-N 1 0 389.540 3.657 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000106274990 885025150 /nfs/dbraw/zinc/02/51/50/885025150.db2.gz VEGOYMFLOLTXMD-SFHVURJKSA-N 1 0 392.341 3.776 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000424300910 885058460 /nfs/dbraw/zinc/05/84/60/885058460.db2.gz YSBGJWUFZAZYMO-WBIUFABUSA-N 1 0 375.225 3.672 20 30 GHEDRO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(Br)c1)CC2 ZINC001275269194 912897993 /nfs/dbraw/zinc/89/79/93/912897993.db2.gz SCVILPVYILWPHR-QGZVFWFLSA-N 1 0 377.326 3.744 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000806969255 885123957 /nfs/dbraw/zinc/12/39/57/885123957.db2.gz PEVZKCJKMIKHGG-RMNGQBEXSA-N 1 0 389.543 3.988 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191477271 885132795 /nfs/dbraw/zinc/13/27/95/885132795.db2.gz DLCKGYFQWFELPB-UHFFFAOYSA-N 1 0 375.314 3.992 20 30 GHEDRO COc1ccc(-c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)c(F)c2)cc1 ZINC000106752468 885154718 /nfs/dbraw/zinc/15/47/18/885154718.db2.gz YTOXDQFKMBPTTM-UHFFFAOYSA-N 1 0 383.467 3.809 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000487891889 885293641 /nfs/dbraw/zinc/29/36/41/885293641.db2.gz DQLXYYWYUOYRBU-KRWDZBQOSA-N 1 0 399.292 3.717 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000237788262 885337186 /nfs/dbraw/zinc/33/71/86/885337186.db2.gz TYUZTVFYZQVXJS-UHFFFAOYSA-N 1 0 382.414 3.808 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000052611424 885361462 /nfs/dbraw/zinc/36/14/62/885361462.db2.gz BOMCBSSICZKGRK-UHFFFAOYSA-N 1 0 389.455 3.722 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000807469542 885467360 /nfs/dbraw/zinc/46/73/60/885467360.db2.gz JDIGGFAPWSMQER-QHCPKHFHSA-N 1 0 381.564 3.919 20 30 GHEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc1 ZINC000131117008 885548658 /nfs/dbraw/zinc/54/86/58/885548658.db2.gz KVASYJVPDULWSE-UHFFFAOYSA-N 1 0 383.536 3.542 20 30 GHEDRO C=CC[N@@H+](CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)CC1CCCCC1 ZINC000303635884 885659092 /nfs/dbraw/zinc/65/90/92/885659092.db2.gz PRCHPRRBRBDNLH-UHFFFAOYSA-N 1 0 392.565 3.877 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cc1 ZINC000153471695 885775814 /nfs/dbraw/zinc/77/58/14/885775814.db2.gz ALWIUWOQNJIQRT-UXHICEINSA-N 1 0 378.516 3.770 20 30 GHEDRO CC(C)CCOC1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000532492895 885856097 /nfs/dbraw/zinc/85/60/97/885856097.db2.gz VVLPUBPBOXZFRG-LVIWNVNYSA-N 1 0 377.573 3.833 20 30 GHEDRO CN(c1ccccc1C=[NH+][N-]c1nccnc1C1CCC1)C1CC[NH+](C)CC1 ZINC000807991214 885913329 /nfs/dbraw/zinc/91/33/29/885913329.db2.gz JFNBVXXDJZKNFE-UHFFFAOYSA-N 1 0 378.524 3.721 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1=S ZINC000808192211 886090514 /nfs/dbraw/zinc/09/05/14/886090514.db2.gz RCTBZFYMGCDKQC-IEBWSBKVSA-N 1 0 398.580 3.568 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2C)c1C#N ZINC000532582329 886175448 /nfs/dbraw/zinc/17/54/48/886175448.db2.gz VDHFERQVLQVOAK-HUUCEWRRSA-N 1 0 382.483 3.833 20 30 GHEDRO N#Cc1ccc(C(=O)C(C(=S)NC(C2CC2)C2CC2)[n+]2ccccc2)cc1 ZINC000762439645 886225034 /nfs/dbraw/zinc/22/50/34/886225034.db2.gz MJQJVZYWPYMGRS-UHFFFAOYSA-O 1 0 376.505 3.835 20 30 GHEDRO Cc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CCO2 ZINC000556834766 886296461 /nfs/dbraw/zinc/29/64/61/886296461.db2.gz MXIGKGLKYNMOBC-UHFFFAOYSA-N 1 0 381.501 3.640 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001127518599 886325726 /nfs/dbraw/zinc/32/57/26/886325726.db2.gz HDDWTRRSPVLXNC-UHFFFAOYSA-N 1 0 376.504 3.949 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000556855238 886367247 /nfs/dbraw/zinc/36/72/47/886367247.db2.gz FREAPGGEXQDREX-OAQYLSRUSA-N 1 0 382.479 3.929 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1 ZINC000862481819 886400972 /nfs/dbraw/zinc/40/09/72/886400972.db2.gz MDDOOWNHYJYHNA-GAJHUEQPSA-N 1 0 376.456 3.977 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000556880715 886475648 /nfs/dbraw/zinc/47/56/48/886475648.db2.gz QKMVWIHTYWNIOC-VWPQPMDRSA-N 1 0 380.488 3.887 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000808786845 886778520 /nfs/dbraw/zinc/77/85/20/886778520.db2.gz FUMUQZVSEUJQLH-BJKOFHAPSA-N 1 0 385.467 3.951 20 30 GHEDRO N#Cc1ccc([C@@H](C(N)=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000153625749 886805293 /nfs/dbraw/zinc/80/52/93/886805293.db2.gz AOJYDXCPQAFNOO-IBGZPJMESA-N 1 0 385.389 3.893 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cccc(CC#N)c1 ZINC000808826576 886828067 /nfs/dbraw/zinc/82/80/67/886828067.db2.gz LSIRCNOVPLQCJA-UHFFFAOYSA-N 1 0 393.487 3.812 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ncccc1OCCCC#N ZINC000188717670 887081944 /nfs/dbraw/zinc/08/19/44/887081944.db2.gz JHIJMNYVEWLFNE-UHFFFAOYSA-N 1 0 387.528 3.930 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670214555 887189733 /nfs/dbraw/zinc/18/97/33/887189733.db2.gz RVDBUWPIOQQVDT-HXUWFJFHSA-N 1 0 395.551 3.540 20 30 GHEDRO CCOc1ccc(OC)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000105043135 887328106 /nfs/dbraw/zinc/32/81/06/887328106.db2.gz TVRPNYULUWTXIV-UHFFFAOYSA-N 1 0 396.491 3.561 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccc(Br)cc1)C(C)C ZINC000496016195 887389443 /nfs/dbraw/zinc/38/94/43/887389443.db2.gz ZUZODFHGRNCBBS-SFHVURJKSA-N 1 0 379.342 3.806 20 30 GHEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000119804672 887531788 /nfs/dbraw/zinc/53/17/88/887531788.db2.gz VQZBJNFOLLLCFT-OAQYLSRUSA-N 1 0 386.503 3.813 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809701875 887719905 /nfs/dbraw/zinc/71/99/05/887719905.db2.gz NIBFMHNZPWJYOY-NRFANRHFSA-N 1 0 378.513 3.797 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1)C(C)(C)C ZINC000809782131 887834911 /nfs/dbraw/zinc/83/49/11/887834911.db2.gz ISJUVEVNMUBKJL-HXUWFJFHSA-N 1 0 385.460 3.791 20 30 GHEDRO Cc1cc(Br)cc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c1O ZINC000809789645 887842165 /nfs/dbraw/zinc/84/21/65/887842165.db2.gz UQXVRGFRKMBCCY-UHFFFAOYSA-N 1 0 389.293 3.983 20 30 GHEDRO CCOc1ccc(C=NOC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000809991492 888046452 /nfs/dbraw/zinc/04/64/52/888046452.db2.gz KRWIWTXADAWXMN-NRFANRHFSA-N 1 0 398.503 3.736 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](Oc4ccc(Cl)cc4)C3)C2=O)cc1 ZINC001170594873 888082342 /nfs/dbraw/zinc/08/23/42/888082342.db2.gz YERKVGILIBHCNL-SFTDATJTSA-N 1 0 395.890 3.860 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)CCc2ccc(Br)cc21 ZINC000794813642 888185221 /nfs/dbraw/zinc/18/52/21/888185221.db2.gz BYWQAWTUFCYYBN-CXAGYDPISA-N 1 0 386.355 3.653 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001132087928 888218855 /nfs/dbraw/zinc/21/88/55/888218855.db2.gz UGKANFKAULLJQW-ICSRJNTNSA-N 1 0 394.515 3.758 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccc(Cl)cc1 ZINC000810148369 888236811 /nfs/dbraw/zinc/23/68/11/888236811.db2.gz PTWVRARENGGSQG-HXUWFJFHSA-N 1 0 396.922 3.896 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)c(C(F)(F)F)c1 ZINC000810151289 888240879 /nfs/dbraw/zinc/24/08/79/888240879.db2.gz GQCHFDRGAVASMG-UHFFFAOYSA-N 1 0 375.350 3.823 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000794828438 888242849 /nfs/dbraw/zinc/24/28/49/888242849.db2.gz OWXSTGQJACEJRR-OAHLLOKOSA-N 1 0 376.298 3.789 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000810333809 888405199 /nfs/dbraw/zinc/40/51/99/888405199.db2.gz LSBANXVPOHEAJW-OAQYLSRUSA-N 1 0 382.439 3.897 20 30 GHEDRO CC(C)(C)OC(=O)N(CCC[NH2+]Cc1ccc(C#N)cc1)Cc1cccnc1 ZINC000729680525 888478721 /nfs/dbraw/zinc/47/87/21/888478721.db2.gz TZPBSHFLJQYRAP-UHFFFAOYSA-N 1 0 380.492 3.870 20 30 GHEDRO Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CCN(c4ccccc4C#N)CC3)cc12 ZINC000865697064 888521011 /nfs/dbraw/zinc/52/10/11/888521011.db2.gz QVIWSTSHURDPKF-UHFFFAOYSA-N 1 0 394.910 3.560 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc2ccccc2n1CC#N ZINC001132303410 888565073 /nfs/dbraw/zinc/56/50/73/888565073.db2.gz VARNROAUJOHLQD-RXVVDRJESA-N 1 0 386.499 3.663 20 30 GHEDRO Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNCC[NH+]2CCCCC2)o1 ZINC000915973928 888591781 /nfs/dbraw/zinc/59/17/81/888591781.db2.gz AKSNOPWFFZAVDG-UHFFFAOYSA-N 1 0 377.492 3.850 20 30 GHEDRO N#CCOc1cccc(CC(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000810588194 888665858 /nfs/dbraw/zinc/66/58/58/888665858.db2.gz XNYGBSYKUIQZSJ-NRFANRHFSA-N 1 0 378.472 3.587 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3ncc(C#N)c4ccsc43)C2)ccn1 ZINC000865960226 888668824 /nfs/dbraw/zinc/66/88/24/888668824.db2.gz SPVIIBBCURINLE-SFHVURJKSA-N 1 0 393.516 3.672 20 30 GHEDRO C#Cc1ccccc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000810616973 888682099 /nfs/dbraw/zinc/68/20/99/888682099.db2.gz WUOMJRIEIXHVLG-UHFFFAOYSA-N 1 0 388.433 3.820 20 30 GHEDRO C#Cc1ccccc1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000810615324 888713088 /nfs/dbraw/zinc/71/30/88/888713088.db2.gz OGJYEDQLLDJFHU-UHFFFAOYSA-N 1 0 399.332 3.563 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)[NH+](C)C)c1 ZINC000454377522 888920718 /nfs/dbraw/zinc/92/07/18/888920718.db2.gz LJVRXBKHXVPNTI-OAQYLSRUSA-N 1 0 379.504 3.555 20 30 GHEDRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867941858 889231169 /nfs/dbraw/zinc/23/11/69/889231169.db2.gz KONZFHMJKYINLD-ORAYPTAESA-N 1 0 376.485 3.574 20 30 GHEDRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763411760 889241202 /nfs/dbraw/zinc/24/12/02/889241202.db2.gz VAHIBSCCTKXLCJ-LJQANCHMSA-N 1 0 389.293 3.755 20 30 GHEDRO C=C(Br)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000747680903 889244986 /nfs/dbraw/zinc/24/49/86/889244986.db2.gz CYJQSGMLZJIYOA-UHFFFAOYSA-N 1 0 375.104 3.953 20 30 GHEDRO C=C[C@@H]([NH2+][C@@H]1CC[C@@H](C(=O)OCC)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001170628711 889326844 /nfs/dbraw/zinc/32/68/44/889326844.db2.gz JPHVIVYNTOZADC-QRVBRYPASA-N 1 0 388.508 3.835 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000868179621 889337015 /nfs/dbraw/zinc/33/70/15/889337015.db2.gz WJQQYRDIQCVGPV-FQEVSTJZSA-N 1 0 396.560 3.716 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C(F)(F)F)c1 ZINC000868209749 889354084 /nfs/dbraw/zinc/35/40/84/889354084.db2.gz LJPNPOLLPGNLHL-BZSNNMDCSA-N 1 0 394.441 3.583 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C(F)(F)F)c1 ZINC000868209750 889354114 /nfs/dbraw/zinc/35/41/14/889354114.db2.gz LJPNPOLLPGNLHL-KSZLIROESA-N 1 0 394.441 3.583 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000811476761 889663985 /nfs/dbraw/zinc/66/39/85/889663985.db2.gz ZNKKHRKEIQCAAA-GFCCVEGCSA-N 1 0 397.422 3.799 20 30 GHEDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000533081914 889710766 /nfs/dbraw/zinc/71/07/66/889710766.db2.gz BNLLYIRPXNDHSQ-UHFFFAOYSA-N 1 0 390.487 3.901 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064129345 889856724 /nfs/dbraw/zinc/85/67/24/889856724.db2.gz WEQNMNUUNPACJR-HXUWFJFHSA-N 1 0 382.552 3.520 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC(F)(F)[C@H](C)C2)c1=S ZINC000811779954 889954185 /nfs/dbraw/zinc/95/41/85/889954185.db2.gz JZBRFIGYQILTDX-MRXNPFEDSA-N 1 0 399.555 3.563 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1Cc2ccccc2C1 ZINC000533250366 890094169 /nfs/dbraw/zinc/09/41/69/890094169.db2.gz BQJXZIPPLMBJAR-INIZCTEOSA-N 1 0 379.529 3.976 20 30 GHEDRO CC(C)(C)OC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533262849 890160529 /nfs/dbraw/zinc/16/05/29/890160529.db2.gz ZNMZYSNMVAIRRU-UHFFFAOYSA-N 1 0 391.899 3.594 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811962875 890167516 /nfs/dbraw/zinc/16/75/16/890167516.db2.gz BOSYIEYIVRTZJN-NRFANRHFSA-N 1 0 381.907 3.932 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000533286704 890192248 /nfs/dbraw/zinc/19/22/48/890192248.db2.gz STKCWCHWDGSZPA-UHFFFAOYSA-N 1 0 376.435 3.997 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc3ccccc3n1CC#N)Cc1ccccc12 ZINC000870183304 890249767 /nfs/dbraw/zinc/24/97/67/890249767.db2.gz WZHMCUITLUOUKM-UHFFFAOYSA-N 1 0 398.510 3.784 20 30 GHEDRO C#C[C@H](NC(=O)NCC[N@@H+](CC)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000812205246 890430590 /nfs/dbraw/zinc/43/05/90/890430590.db2.gz RMBXYYUOWAIJMN-HNNXBMFYSA-N 1 0 375.822 3.588 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170676357 890564967 /nfs/dbraw/zinc/56/49/67/890564967.db2.gz AEPPACFAUCWWGB-LJQANCHMSA-N 1 0 395.453 3.588 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000533512147 890727411 /nfs/dbraw/zinc/72/74/11/890727411.db2.gz NDIBSDJUJLOCHV-FCEWJHQRSA-N 1 0 388.943 3.877 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533511890 890727582 /nfs/dbraw/zinc/72/75/82/890727582.db2.gz PHHGTWKECGBAEO-UABSUBIDSA-N 1 0 388.600 3.643 20 30 GHEDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000287695344 913491835 /nfs/dbraw/zinc/49/18/35/913491835.db2.gz WXLALKGIVQVORS-UHFFFAOYSA-N 1 0 396.535 3.684 20 30 GHEDRO C#CCNC(=O)C1CC[NH+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000747820250 890972550 /nfs/dbraw/zinc/97/25/50/890972550.db2.gz QMAMDLXUPBLZJE-QHCPKHFHSA-N 1 0 399.494 3.553 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)ccc1OC ZINC000123752691 890977367 /nfs/dbraw/zinc/97/73/67/890977367.db2.gz ABPJLGWSFHTBFP-SFHVURJKSA-N 1 0 377.444 3.920 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cc(CC#N)ccn2)[NH+]2CCCCC2)cc1 ZINC000871718514 890989652 /nfs/dbraw/zinc/98/96/52/890989652.db2.gz ICICUPKTEDQCMV-FQEVSTJZSA-N 1 0 393.491 3.505 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(CC#N)ccn1 ZINC000871730080 890994865 /nfs/dbraw/zinc/99/48/65/890994865.db2.gz OQCYPABIKBFCCL-LJQANCHMSA-N 1 0 377.492 3.570 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1C ZINC000812841877 891031374 /nfs/dbraw/zinc/03/13/74/891031374.db2.gz WLVJLZRCDLEXQG-ZLNRFVROSA-N 1 0 397.563 3.956 20 30 GHEDRO C=CCC1(CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1 ZINC000455486252 891037478 /nfs/dbraw/zinc/03/74/78/891037478.db2.gz YRUPAAYQZLJVKV-UHFFFAOYSA-N 1 0 385.552 3.579 20 30 GHEDRO C[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082975 891145705 /nfs/dbraw/zinc/14/57/05/891145705.db2.gz FIYGOLZCMKCSIT-OAHLLOKOSA-N 1 0 382.439 3.921 20 30 GHEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000614925038 891603649 /nfs/dbraw/zinc/60/36/49/891603649.db2.gz SJXXIKSKQTWLPE-GOSISDBHSA-N 1 0 378.398 3.502 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873662151 891732969 /nfs/dbraw/zinc/73/29/69/891732969.db2.gz BRWIDYAIKINBRN-QGZVFWFLSA-N 1 0 375.586 3.877 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000917479639 892043523 /nfs/dbraw/zinc/04/35/23/892043523.db2.gz PDXJPLGRHNNUGC-UHFFFAOYSA-N 1 0 383.565 3.561 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1 ZINC000813878866 892061152 /nfs/dbraw/zinc/06/11/52/892061152.db2.gz GNKYBIWTFIPFJQ-PVAVHDDUSA-N 1 0 377.460 3.587 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1[NH+](C)C ZINC000497653326 892104741 /nfs/dbraw/zinc/10/47/41/892104741.db2.gz YGFJPSQDMYMEIM-VQTJNVASSA-N 1 0 396.516 3.860 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128568913 892137703 /nfs/dbraw/zinc/13/77/03/892137703.db2.gz LXDRKXSMQHCBNF-LEWJYISDSA-N 1 0 379.508 3.520 20 30 GHEDRO N#Cc1cc2c(cccc2N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)[nH]1 ZINC001170717694 892148617 /nfs/dbraw/zinc/14/86/17/892148617.db2.gz DSLWBOJDIFSNKF-KESTWPANSA-N 1 0 377.536 3.790 20 30 GHEDRO C#CCN(C(=O)/C=C/c1cc2ccccc2nc1OCCC)C1CC[NH+](C)CC1 ZINC001134043190 892205997 /nfs/dbraw/zinc/20/59/97/892205997.db2.gz GJZKUZVVCWKECO-ZHACJKMWSA-N 1 0 391.515 3.593 20 30 GHEDRO C#CCCCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000814136999 892296219 /nfs/dbraw/zinc/29/62/19/892296219.db2.gz IQBJPGKSTSGGQP-HSZRJFAPSA-N 1 0 375.516 3.878 20 30 GHEDRO C=C(Br)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000125133924 892311189 /nfs/dbraw/zinc/31/11/89/892311189.db2.gz JTVORZBQVLBTMZ-SNVBAGLBSA-N 1 0 376.092 3.664 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814176117 892330296 /nfs/dbraw/zinc/33/02/96/892330296.db2.gz MPKFSQZXXAMWHH-PZJWPPBQSA-N 1 0 398.551 3.868 20 30 GHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cscc3C#N)cc2)C[C@@H]1C ZINC000497799870 892462954 /nfs/dbraw/zinc/46/29/54/892462954.db2.gz YIBFTOVGOCHFBW-IRXDYDNUSA-N 1 0 397.544 3.559 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000814250390 892465008 /nfs/dbraw/zinc/46/50/08/892465008.db2.gz QXCJQDPPHNRMCY-JKSUJKDBSA-N 1 0 392.459 3.583 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000875249256 892509286 /nfs/dbraw/zinc/50/92/86/892509286.db2.gz ZTHAIKBSQJQQSY-KRWDZBQOSA-N 1 0 380.414 3.501 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)ccc1OC ZINC000825826983 892862499 /nfs/dbraw/zinc/86/24/99/892862499.db2.gz KMYRRPMQBWFWLI-WOJBJXKFSA-N 1 0 399.535 3.789 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455698854 893011733 /nfs/dbraw/zinc/01/17/33/893011733.db2.gz GRWGQURJIVITKL-UHFFFAOYSA-N 1 0 386.883 3.668 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814656985 893015291 /nfs/dbraw/zinc/01/52/91/893015291.db2.gz LOOWUQISMPVMJH-INIZCTEOSA-N 1 0 392.459 3.584 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)Cc3cccc(OCC#N)c3)c2)CC1 ZINC000125827916 893028237 /nfs/dbraw/zinc/02/82/37/893028237.db2.gz PCEFBLLDDJKACP-UHFFFAOYSA-N 1 0 391.515 3.680 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](CCCC1(C#N)CCOCC1)CC2 ZINC000814644335 893035992 /nfs/dbraw/zinc/03/59/92/893035992.db2.gz JVJNHAQQHPZYHS-UHFFFAOYSA-N 1 0 391.556 3.810 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000130561428 893039315 /nfs/dbraw/zinc/03/93/15/893039315.db2.gz QKMIZXYJTBZDRP-HZPDHXFCSA-N 1 0 389.927 3.563 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000288367689 913745478 /nfs/dbraw/zinc/74/54/78/913745478.db2.gz DSRVZRIBLQYSBL-UHFFFAOYSA-N 1 0 393.535 3.929 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508887121 893267572 /nfs/dbraw/zinc/26/75/72/893267572.db2.gz HPSPTOQHKQIGEU-UHFFFAOYSA-N 1 0 391.563 3.909 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C2)CC1 ZINC000455775518 893294914 /nfs/dbraw/zinc/29/49/14/893294914.db2.gz DRJIZBWWLIYQPY-HNNXBMFYSA-N 1 0 375.904 3.582 20 30 GHEDRO CC(N=Nc1nnc(-c2ccccc2)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000814948979 893297206 /nfs/dbraw/zinc/29/72/06/893297206.db2.gz OECFYONQCPFPLM-UHFFFAOYSA-N 1 0 381.505 3.982 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000876757316 893315990 /nfs/dbraw/zinc/31/59/90/893315990.db2.gz BUOBQTRXRUWOFO-MRXNPFEDSA-N 1 0 390.742 3.544 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876771088 893322615 /nfs/dbraw/zinc/32/26/15/893322615.db2.gz VLDHVUFLYOCKEZ-VFNWGFHPSA-N 1 0 387.487 3.553 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3cc(C#N)sc3[N+](=O)[O-])cc2F)CC1 ZINC001185252453 913761291 /nfs/dbraw/zinc/76/12/91/913761291.db2.gz FOPPJIYNXBRPKW-UHFFFAOYSA-N 1 0 389.456 3.941 20 30 GHEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000778215731 893387756 /nfs/dbraw/zinc/38/77/56/893387756.db2.gz FUXNMYZVMGYDIS-FXAWDEMLSA-N 1 0 386.540 3.772 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(COc3cccc(F)c3)cc2)CC1 ZINC000645232858 913769961 /nfs/dbraw/zinc/76/99/61/913769961.db2.gz VEJVUFXDHVOCTB-UHFFFAOYSA-N 1 0 397.494 3.854 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)Cc2cnn(CC)c2)cc1OC ZINC000536668989 893470603 /nfs/dbraw/zinc/47/06/03/893470603.db2.gz VUFDOBHBELXHCS-UHFFFAOYSA-N 1 0 394.313 3.871 20 30 GHEDRO O=C(C#Cc1cccs1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825944668 893514117 /nfs/dbraw/zinc/51/41/17/893514117.db2.gz DABKRIAZQBOYGJ-MRXNPFEDSA-N 1 0 378.419 3.509 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000877313039 893558915 /nfs/dbraw/zinc/55/89/15/893558915.db2.gz PGLJNEQJFASKCQ-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000536710526 893617505 /nfs/dbraw/zinc/61/75/05/893617505.db2.gz LINVDSBJQNCOBM-GOSISDBHSA-N 1 0 377.916 3.502 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)C[C@H]1c1ccc(Br)cc1 ZINC000877460438 893622448 /nfs/dbraw/zinc/62/24/48/893622448.db2.gz SZNUGUJWKPZVFH-MJGOQNOKSA-N 1 0 385.309 3.641 20 30 GHEDRO C=CCOCCC[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459506097 893694588 /nfs/dbraw/zinc/69/45/88/893694588.db2.gz KBYJVYHCWIKRTG-UHFFFAOYSA-N 1 0 377.960 3.519 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000444811669 893734281 /nfs/dbraw/zinc/73/42/81/893734281.db2.gz IWPRKFQVXKHULT-VQTJNVASSA-N 1 0 393.535 3.552 20 30 GHEDRO CCOP(=O)(CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)OCC ZINC000877658152 893748496 /nfs/dbraw/zinc/74/84/96/893748496.db2.gz VEOIRSOPENSMHT-UHFFFAOYSA-N 1 0 380.425 3.810 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000877731563 893779911 /nfs/dbraw/zinc/77/99/11/893779911.db2.gz RRUMEJMMLZUWEZ-AKHDSKFASA-N 1 0 391.556 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[NH2+]CC(C)(C)CCC#N)C2)CC1 ZINC000877810130 893820854 /nfs/dbraw/zinc/82/08/54/893820854.db2.gz PCTUMUGOMAUEKU-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnc3ccccc3c1O)C2 ZINC001111079811 893885703 /nfs/dbraw/zinc/88/57/03/893885703.db2.gz YBUFKNJYKNPJHK-LZQZEXGQSA-N 1 0 382.508 3.641 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000878051633 893982722 /nfs/dbraw/zinc/98/27/22/893982722.db2.gz MSYHSOFHPWUIJP-XMMPIXPASA-N 1 0 387.483 3.842 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000918575271 894020358 /nfs/dbraw/zinc/02/03/58/894020358.db2.gz DOTCBYSHSFTRBQ-UHFFFAOYSA-N 1 0 379.504 3.829 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000536969529 894148852 /nfs/dbraw/zinc/14/88/52/894148852.db2.gz NKSKMCZBGDPEHA-GOSISDBHSA-N 1 0 376.504 3.899 20 30 GHEDRO C[N@H+](CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C1CCCC1 ZINC000536968717 894149063 /nfs/dbraw/zinc/14/90/63/894149063.db2.gz AXKCKPKXXITATA-UHFFFAOYSA-N 1 0 376.504 3.899 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000127108868 894274839 /nfs/dbraw/zinc/27/48/39/894274839.db2.gz PONLPKVWTHNWIB-WOJBJXKFSA-N 1 0 386.540 3.535 20 30 GHEDRO CC(C)c1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccccc2)cc1 ZINC000022691837 894282794 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LVHUQFWLXQVZKH-ROUUACIJSA-N 1 0 380.517 3.914 20 30 GHEDRO C#CCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000878800774 894628594 /nfs/dbraw/zinc/62/85/94/894628594.db2.gz BKSKJJSKLMXAPZ-SLFFLAALSA-N 1 0 378.557 3.964 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000878885889 894698661 /nfs/dbraw/zinc/69/86/61/894698661.db2.gz UAGZDNJRSAQZRD-QFIPXVFZSA-N 1 0 387.524 3.662 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000816453989 894813930 /nfs/dbraw/zinc/81/39/30/894813930.db2.gz XQORTZDMXPKGQX-AVRDEDQJSA-N 1 0 378.472 3.585 20 30 GHEDRO C[NH+]1CCC2(CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)CC1 ZINC000879248254 894930002 /nfs/dbraw/zinc/93/00/02/894930002.db2.gz KSNSVOISTHNKTD-UHFFFAOYSA-N 1 0 378.520 3.545 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001135642289 894968492 /nfs/dbraw/zinc/96/84/92/894968492.db2.gz CXUHTQPUAFUIRH-UHFFFAOYSA-N 1 0 378.501 3.826 20 30 GHEDRO CC(C)CN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC000879705043 895244917 /nfs/dbraw/zinc/24/49/17/895244917.db2.gz YSGFOTTXFWVXSV-GOSISDBHSA-N 1 0 398.576 3.772 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cc2cnccc2o1 ZINC000879712946 895251817 /nfs/dbraw/zinc/25/18/17/895251817.db2.gz MUJIECJIBPQPKU-NEPJUHHUSA-N 1 0 380.473 3.927 20 30 GHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ncc(C#N)c2ccsc21 ZINC001185592171 913980180 /nfs/dbraw/zinc/98/01/80/913980180.db2.gz CPZRBZBZILIINT-UHFFFAOYSA-N 1 0 397.592 3.800 20 30 GHEDRO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000880285932 895618376 /nfs/dbraw/zinc/61/83/76/895618376.db2.gz OYFQHZWKPOMZCI-IAGOWNOFSA-N 1 0 378.463 3.604 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC3(CCCCO3)CC2)sc2c1CCCC2 ZINC000880453947 895717229 /nfs/dbraw/zinc/71/72/29/895717229.db2.gz WWZFQSJBMYCUQN-UHFFFAOYSA-N 1 0 387.549 3.862 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)[C@H](C)C1 ZINC000880926560 896003967 /nfs/dbraw/zinc/00/39/67/896003967.db2.gz ACLCUTUHRUCETR-XOKHGSTOSA-N 1 0 382.430 3.533 20 30 GHEDRO NC(=[NH+]OCc1ccc(-c2ccccn2)nc1)c1ccc(N2CCCCC2)cc1 ZINC000818079235 896018426 /nfs/dbraw/zinc/01/84/26/896018426.db2.gz QOMKGPYDJMTXHM-UHFFFAOYSA-N 1 0 387.487 3.971 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000881150858 896202239 /nfs/dbraw/zinc/20/22/39/896202239.db2.gz IDVKPNJPYXSADU-XLIONFOSSA-N 1 0 377.492 3.664 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC001136150255 896205283 /nfs/dbraw/zinc/20/52/83/896205283.db2.gz NEXLDYGAHRPGLY-IAGOWNOFSA-N 1 0 395.569 3.717 20 30 GHEDRO C=C(Br)C[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000818979569 896299678 /nfs/dbraw/zinc/29/96/78/896299678.db2.gz QFBGVSSASNIZMJ-UXHICEINSA-N 1 0 390.321 3.960 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000819069597 896386767 /nfs/dbraw/zinc/38/67/67/896386767.db2.gz XOZWQZGWIMXGHE-KXBFYZLASA-N 1 0 389.293 3.953 20 30 GHEDRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C(=O)OC(C)(C)C ZINC000819205691 896478979 /nfs/dbraw/zinc/47/89/79/896478979.db2.gz OXUAOWZBWBHGMR-HXUWFJFHSA-N 1 0 395.503 3.543 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000819257215 896497985 /nfs/dbraw/zinc/49/79/85/896497985.db2.gz BIRBQGMVTRFQQO-APWZRJJASA-N 1 0 376.287 3.767 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000819326678 896571300 /nfs/dbraw/zinc/57/13/00/896571300.db2.gz UHBSSJLNRAGQGJ-RTBURBONSA-N 1 0 385.508 3.503 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000819357837 896600898 /nfs/dbraw/zinc/60/08/98/896600898.db2.gz XFXRQIRMQSFAID-ZIAGYGMSSA-N 1 0 388.002 3.828 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc(C#N)cc2Br)CC1 ZINC000882124576 896670414 /nfs/dbraw/zinc/67/04/14/896670414.db2.gz YCBRDCWEXJHEEM-ZDUSSCGKSA-N 1 0 386.297 3.748 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CC2([NH+](C)C)CCC2)s1 ZINC000819506501 896799824 /nfs/dbraw/zinc/79/98/24/896799824.db2.gz XFYOIBCFGQAKPQ-UHFFFAOYSA-N 1 0 388.002 3.781 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1 ZINC000819678573 896899267 /nfs/dbraw/zinc/89/92/67/896899267.db2.gz PSCMMTCCHJGJPZ-UHFFFAOYSA-N 1 0 383.517 3.954 20 30 GHEDRO C=CCn1c(=S)n(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1C1CC1 ZINC000819896437 897036943 /nfs/dbraw/zinc/03/69/43/897036943.db2.gz CNIPWIBMELDENM-VQTJNVASSA-N 1 0 395.576 3.641 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000130480377 897099788 /nfs/dbraw/zinc/09/97/88/897099788.db2.gz QJVJDNCQMDLFKY-AWEZNQCLSA-N 1 0 375.563 3.934 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CCc3ccc(Cl)cc3Cl)C2)C1=O ZINC001276323846 914129890 /nfs/dbraw/zinc/12/98/90/914129890.db2.gz HOCBPYGZGXOZKU-HXUWFJFHSA-N 1 0 395.330 3.953 20 30 GHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)COc3ccc(C#N)cc3)s2)cs1 ZINC000567496675 897204001 /nfs/dbraw/zinc/20/40/01/897204001.db2.gz MOJLFXKQJOQYPP-INIZCTEOSA-N 1 0 399.541 3.624 20 30 GHEDRO C=CCn1c(-c2ccccc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000567522864 897221354 /nfs/dbraw/zinc/22/13/54/897221354.db2.gz CMZXXJPNBWCLIB-UHFFFAOYSA-N 1 0 391.494 3.983 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000567682931 897335961 /nfs/dbraw/zinc/33/59/61/897335961.db2.gz CHXGYGGNVKEBEF-LJQANCHMSA-N 1 0 393.512 3.714 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@H](C)CCC[NH+](CC)CC)CCCN1C(=O)OC(C)(C)C ZINC001136345914 897382648 /nfs/dbraw/zinc/38/26/48/897382648.db2.gz OSKMYRNFFFLDNO-XMSQKQJNSA-N 1 0 395.588 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCCCC2)[C@@H]([C@H]2CCOC2)C1 ZINC000883235902 897393760 /nfs/dbraw/zinc/39/37/60/897393760.db2.gz NGIATPLXJLNKLQ-OTWHNJEPSA-N 1 0 391.556 3.712 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000820579552 897403388 /nfs/dbraw/zinc/40/33/88/897403388.db2.gz ZVCXCJHLDZLTQG-OAQYLSRUSA-N 1 0 394.906 3.659 20 30 GHEDRO C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(Cl)cc1F ZINC000820744151 897530926 /nfs/dbraw/zinc/53/09/26/897530926.db2.gz DHAAGYADMGPJBH-SFHVURJKSA-N 1 0 377.847 3.520 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)CC2 ZINC000568451580 897848388 /nfs/dbraw/zinc/84/83/88/897848388.db2.gz GFFWKJADPOCUIO-YADHBBJMSA-N 1 0 381.907 3.862 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000568698513 898043112 /nfs/dbraw/zinc/04/31/12/898043112.db2.gz MUXMDOCGWOSIFC-UHFFFAOYSA-N 1 0 388.519 3.627 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCc1nnc2n1CCCCC2)c1ccc(Cl)cc1Cl ZINC000104159138 898129241 /nfs/dbraw/zinc/12/92/41/898129241.db2.gz JQQJLEYYAGMIBY-GFCCVEGCSA-N 1 0 395.338 3.519 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043238740 898358729 /nfs/dbraw/zinc/35/87/29/898358729.db2.gz DVHIUPUDBVAWBS-JOCHJYFZSA-N 1 0 376.504 3.754 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc4ccccc4nc3OC)C2)C1 ZINC001137201233 898467387 /nfs/dbraw/zinc/46/73/87/898467387.db2.gz LQZOGTYLWHRJIT-HSZRJFAPSA-N 1 0 395.503 3.854 20 30 GHEDRO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCc1c(Cl)cccc1Cl ZINC001276331296 914265348 /nfs/dbraw/zinc/26/53/48/914265348.db2.gz JFGJMIMVUZDCCB-QZTJIDSGSA-N 1 0 380.319 3.905 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)ccn1 ZINC000289621830 914267272 /nfs/dbraw/zinc/26/72/72/914267272.db2.gz BEDIIEHBFFAZKW-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)c(C)c2)CC1 ZINC000043521330 898681033 /nfs/dbraw/zinc/68/10/33/898681033.db2.gz VIUDXQCKOKDQJD-SFHVURJKSA-N 1 0 391.519 3.891 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(N(C)C)nc2ccccc21)C(C)C ZINC001136650101 898757134 /nfs/dbraw/zinc/75/71/34/898757134.db2.gz PLNJPDWVPULLRR-OAQYLSRUSA-N 1 0 380.536 3.729 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000569598669 898818374 /nfs/dbraw/zinc/81/83/74/898818374.db2.gz XMNUYRSINGSBBG-IBGZPJMESA-N 1 0 398.551 3.543 20 30 GHEDRO CCNC(=O)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113322109 898983698 /nfs/dbraw/zinc/98/36/98/898983698.db2.gz RUNLZPNGRAYHAB-UHFFFAOYSA-N 1 0 387.487 3.503 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cc1OCCCC#N ZINC000113351200 898988980 /nfs/dbraw/zinc/98/89/80/898988980.db2.gz JSEMZMXFMVRQMF-OAHLLOKOSA-N 1 0 382.464 3.719 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884127843 898997739 /nfs/dbraw/zinc/99/77/39/898997739.db2.gz OKACQUZOALYHHK-NDWSQEJWSA-N 1 0 398.507 3.574 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884131317 899014364 /nfs/dbraw/zinc/01/43/64/899014364.db2.gz IIUWDGUFOCQGKY-LUYHWSAPSA-N 1 0 394.544 3.744 20 30 GHEDRO C=CCCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC001136738012 899080071 /nfs/dbraw/zinc/08/00/71/899080071.db2.gz XJYMWYOHMKCOEM-PKTZIBPZSA-N 1 0 383.580 3.753 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1OCc1cccc(Cl)c1)C2 ZINC000884146605 899080405 /nfs/dbraw/zinc/08/04/05/899080405.db2.gz MVCICBFISDNUSO-JQHMZKTJSA-N 1 0 395.890 3.997 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC001136751752 899139897 /nfs/dbraw/zinc/13/98/97/899139897.db2.gz TVZCNZIIUPWQSB-UHFFFAOYSA-N 1 0 386.879 3.935 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@]3(C)C(N)=O)sc2C1 ZINC000331909740 899260940 /nfs/dbraw/zinc/26/09/40/899260940.db2.gz IRKJZJRYGTUVCC-RBZFPXEDSA-N 1 0 388.537 3.853 20 30 GHEDRO N#CCOc1cccc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000113578470 899417641 /nfs/dbraw/zinc/41/76/41/899417641.db2.gz VOAPYDCRBFADOK-UHFFFAOYSA-N 1 0 384.524 3.577 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCCCCN1C(=O)c2ccccc2C1=O ZINC000824327423 899559043 /nfs/dbraw/zinc/55/90/43/899559043.db2.gz YPQWVUOSZKXFMF-WFXMLNOXSA-N 1 0 384.520 3.802 20 30 GHEDRO CS(=O)(=O)c1ccc(C(=[NH2+])N[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001171065774 899802686 /nfs/dbraw/zinc/80/26/86/899802686.db2.gz AQGIHSSETSFNPY-CQSZACIVSA-N 1 0 397.327 3.660 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778804196 899984721 /nfs/dbraw/zinc/98/47/21/899984721.db2.gz LSQRFTLOGSJLOX-DENIHFKCSA-N 1 0 393.506 3.881 20 30 GHEDRO C=CCc1cc(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)cc(OC)c1OC ZINC000121432837 900024642 /nfs/dbraw/zinc/02/46/42/900024642.db2.gz TWJOMHVRBKFIBM-UHFFFAOYSA-N 1 0 398.507 3.538 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCC1(C)C ZINC000333204337 900033878 /nfs/dbraw/zinc/03/38/78/900033878.db2.gz OIMLDOKJQMAYMA-ZCNNSNEGSA-N 1 0 377.573 3.531 20 30 GHEDRO COc1cccc(Nc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)c1 ZINC000884430419 900075225 /nfs/dbraw/zinc/07/52/25/900075225.db2.gz PHDOWXAAHKHUAE-JXORXQGFSA-N 1 0 376.460 3.517 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1)C2 ZINC000884451395 900088838 /nfs/dbraw/zinc/08/88/38/900088838.db2.gz NXYBKJKCVKPHPX-VSOMRHIXSA-N 1 0 395.400 3.647 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000134771891 900116321 /nfs/dbraw/zinc/11/63/21/900116321.db2.gz XLBQMMVGBAZEHH-SFTDATJTSA-N 1 0 381.451 3.614 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)c1ccsc1 ZINC000135275260 900212968 /nfs/dbraw/zinc/21/29/68/900212968.db2.gz NVAPEBQCGJVEKI-KRWDZBQOSA-N 1 0 390.484 3.994 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1 ZINC000135309653 900220107 /nfs/dbraw/zinc/22/01/07/900220107.db2.gz GUSMWHPPWYJXBX-LJQANCHMSA-N 1 0 384.455 3.933 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000573147350 900393853 /nfs/dbraw/zinc/39/38/53/900393853.db2.gz BZYZHRXINRIZEZ-GOSISDBHSA-N 1 0 386.503 3.547 20 30 GHEDRO N#Cc1cccc(Cl)c1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001143722855 900442469 /nfs/dbraw/zinc/44/24/69/900442469.db2.gz JNAHROZLWGDPPL-HKUYNNGSSA-N 1 0 385.870 3.688 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844308806 900665732 /nfs/dbraw/zinc/66/57/32/900665732.db2.gz BGNIIQAPSWCDOV-GOEBONIOSA-N 1 0 388.468 3.592 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC[C@@H]2CCOC2)c1 ZINC000136520864 900694288 /nfs/dbraw/zinc/69/42/88/900694288.db2.gz XJKACKXMCJZJBC-INIZCTEOSA-O 1 0 395.504 3.594 20 30 GHEDRO COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844326925 900732889 /nfs/dbraw/zinc/73/28/89/900732889.db2.gz NFNPAKYZCIHTQN-WIYYLYMNSA-N 1 0 397.544 3.596 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844371966 900738498 /nfs/dbraw/zinc/73/84/98/900738498.db2.gz RGGKOVULDTYQKO-LJQANCHMSA-N 1 0 389.908 3.585 20 30 GHEDRO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)n1 ZINC000844409907 900840096 /nfs/dbraw/zinc/84/00/96/900840096.db2.gz MWDQAWRAZKWOPF-OXJNMPFZSA-N 1 0 380.492 3.788 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1Cl ZINC000574708552 900975458 /nfs/dbraw/zinc/97/54/58/900975458.db2.gz RRIFGSHVXJKLQS-OAHLLOKOSA-N 1 0 383.879 3.535 20 30 GHEDRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000066173315 900991225 /nfs/dbraw/zinc/99/12/25/900991225.db2.gz SPTRAWSQSJQKIC-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000574829817 901023477 /nfs/dbraw/zinc/02/34/77/901023477.db2.gz XHTCLSUHHPDAPB-IIBYNOLFSA-N 1 0 379.479 3.754 20 30 GHEDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1C(F)(F)F ZINC000574965455 901073638 /nfs/dbraw/zinc/07/36/38/901073638.db2.gz OGZFWIXZIWOLRI-QGZVFWFLSA-N 1 0 394.418 3.758 20 30 GHEDRO COCCO[C@H]1CCC2(CC[NH+](Cc3ccc(C#N)cn3)CC2)c2ccccc21 ZINC001144159163 901171005 /nfs/dbraw/zinc/17/10/05/901171005.db2.gz ZXUWNXRXLPWXDF-QHCPKHFHSA-N 1 0 391.515 3.985 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000886581360 901177047 /nfs/dbraw/zinc/17/70/47/901177047.db2.gz UWAIWPOBGRNNHF-UHFFFAOYSA-N 1 0 383.879 3.697 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(C#N)cc1 ZINC000886749231 901253410 /nfs/dbraw/zinc/25/34/10/901253410.db2.gz MNXXNGXLSULNPM-JOCHJYFZSA-N 1 0 376.504 3.501 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(C)cc(Br)c1)CC2 ZINC001144214781 901270555 /nfs/dbraw/zinc/27/05/55/901270555.db2.gz PAAARQPECPBDOU-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C ZINC001144203570 901281807 /nfs/dbraw/zinc/28/18/07/901281807.db2.gz BNRXACKKBGZTBG-PGRDOPGGSA-N 1 0 393.572 3.591 20 30 GHEDRO COc1ccc(NC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC001202735616 901327126 /nfs/dbraw/zinc/32/71/26/901327126.db2.gz XDTLLALCOGXGLF-UHFFFAOYSA-N 1 0 378.476 3.684 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000576058989 901631487 /nfs/dbraw/zinc/63/14/87/901631487.db2.gz JPILOYUVMLZJRT-HXUWFJFHSA-N 1 0 391.450 3.548 20 30 GHEDRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000576277586 901905913 /nfs/dbraw/zinc/90/59/13/901905913.db2.gz IGEVPBMVKMPTDB-MRXNPFEDSA-N 1 0 379.439 3.648 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000576327084 901951938 /nfs/dbraw/zinc/95/19/38/901951938.db2.gz HRLNRWNETUYIJE-AKFKNWHVSA-N 1 0 375.516 3.551 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCOC ZINC001144399464 902002447 /nfs/dbraw/zinc/00/24/47/902002447.db2.gz UEWHAWSMWULPKO-NRFANRHFSA-N 1 0 386.923 3.874 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001144411247 902072477 /nfs/dbraw/zinc/07/24/77/902072477.db2.gz ABWQPDWMJNZLEU-PXNSSMCTSA-N 1 0 375.900 3.790 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)OC)cc1F)[C@H]2CC ZINC001144438638 902190120 /nfs/dbraw/zinc/19/01/20/902190120.db2.gz PENMNSZHLLCZEX-UGKGYDQZSA-N 1 0 388.483 3.534 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000576863996 902312319 /nfs/dbraw/zinc/31/23/19/902312319.db2.gz OQRAJAOPKHMVBN-JXFKEZNVSA-N 1 0 386.879 3.649 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c(F)cc(O)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001144550376 902361633 /nfs/dbraw/zinc/36/16/33/902361633.db2.gz KJNIRTKVFBIWGW-XXBNENTESA-N 1 0 398.453 3.675 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001171211170 902646393 /nfs/dbraw/zinc/64/63/93/902646393.db2.gz BQRKVPVGHCNGSY-YKSBVNFPSA-N 1 0 375.516 3.861 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C/C(=O)c1ccccc1 ZINC001144714940 902695110 /nfs/dbraw/zinc/69/51/10/902695110.db2.gz VDGISFOTGJXONP-DGXIYAMASA-N 1 0 376.500 3.842 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001171212244 902696647 /nfs/dbraw/zinc/69/66/47/902696647.db2.gz LCBOXSRMMIPYIO-LJQANCHMSA-N 1 0 395.572 3.918 20 30 GHEDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171212651 902699547 /nfs/dbraw/zinc/69/95/47/902699547.db2.gz OWMOEBGAZRFIHY-IWMITWMQSA-N 1 0 394.544 3.520 20 30 GHEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000577365091 902715816 /nfs/dbraw/zinc/71/58/16/902715816.db2.gz QQHXBFRFQPBXEA-CYBMUJFWSA-N 1 0 397.327 3.860 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC001171215621 902748435 /nfs/dbraw/zinc/74/84/35/902748435.db2.gz BYDQPASRJSKYEQ-CVDCTZTESA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001171215696 902750128 /nfs/dbraw/zinc/75/01/28/902750128.db2.gz CXTFFNRWQDAUQO-UTKZUKDTSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001171215624 902750177 /nfs/dbraw/zinc/75/01/77/902750177.db2.gz BYZJFBFULGDNQN-GAJHUEQPSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001171215785 902751847 /nfs/dbraw/zinc/75/18/47/902751847.db2.gz DPCGVWJOHLSLFS-UWJYYQICSA-N 1 0 397.473 3.517 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)c(OC)c2)cc1 ZINC000264066058 902821647 /nfs/dbraw/zinc/82/16/47/902821647.db2.gz DZDRRAYFGMWKJU-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2COCc2ccccc2)CCOCC1 ZINC000600718639 902841757 /nfs/dbraw/zinc/84/17/57/902841757.db2.gz QOVSZIGMRQQTEY-QHCPKHFHSA-N 1 0 394.515 3.564 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000600731223 902854210 /nfs/dbraw/zinc/85/42/10/902854210.db2.gz VMUQEBAIVIVMRD-IERDGZPVSA-N 1 0 398.890 3.845 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000600731226 902854358 /nfs/dbraw/zinc/85/43/58/902854358.db2.gz VMUQEBAIVIVMRD-IIBYNOLFSA-N 1 0 398.890 3.845 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000600735595 902858067 /nfs/dbraw/zinc/85/80/67/902858067.db2.gz MNUUNKKKGKHROF-KBAYOESNSA-N 1 0 382.426 3.612 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224983 902954004 /nfs/dbraw/zinc/95/40/04/902954004.db2.gz WJLPJODJPCHZNL-KRWDZBQOSA-N 1 0 375.472 3.913 20 30 GHEDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000577674289 903032958 /nfs/dbraw/zinc/03/29/58/903032958.db2.gz SWKINGLYQYZFPH-QGZVFWFLSA-N 1 0 379.529 3.922 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000159396006 903126816 /nfs/dbraw/zinc/12/68/16/903126816.db2.gz XAOHGVJZTOHGCJ-MRXNPFEDSA-N 1 0 385.414 3.718 20 30 GHEDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(C(C)(C)C#N)cc3)SC2=S)CC1 ZINC000846757206 903175024 /nfs/dbraw/zinc/17/50/24/903175024.db2.gz VPRAMXHCHOGBQT-SFQUDFHCSA-N 1 0 385.558 3.783 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000846781175 903197847 /nfs/dbraw/zinc/19/78/47/903197847.db2.gz VBOSPNAEMDSMOE-GOSISDBHSA-N 1 0 376.504 3.517 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+](C)C3(CCCCC3)C2)cc1 ZINC000846947389 903340370 /nfs/dbraw/zinc/34/03/70/903340370.db2.gz RABJYLKVWRNIAN-FQEVSTJZSA-N 1 0 382.552 3.581 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000847027861 903407303 /nfs/dbraw/zinc/40/73/03/903407303.db2.gz DUADQWRHPVWLLP-JKSUJKDBSA-N 1 0 381.501 3.673 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000772959053 903445782 /nfs/dbraw/zinc/44/57/82/903445782.db2.gz JUENCGRUOWKAEB-YYDVJCTNSA-N 1 0 379.504 3.529 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001171266047 903450494 /nfs/dbraw/zinc/45/04/94/903450494.db2.gz DIZLOKYFNUTAGP-QYZOEREBSA-N 1 0 399.535 3.621 20 30 GHEDRO CC(C)(C)c1nc2[nH]cnc2c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171275310 903474955 /nfs/dbraw/zinc/47/49/55/903474955.db2.gz XAQPLAVSKLDJFF-UHFFFAOYSA-N 1 0 389.507 3.621 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000578067434 903490789 /nfs/dbraw/zinc/49/07/89/903490789.db2.gz OOLYGSKMPKOLMD-OAQYLSRUSA-N 1 0 379.479 3.810 20 30 GHEDRO Cc1cc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc(C)c1C#N ZINC001146334959 903496163 /nfs/dbraw/zinc/49/61/63/903496163.db2.gz CGCAKLLBKJLCEV-UHFFFAOYSA-N 1 0 377.488 3.580 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000578091227 903509954 /nfs/dbraw/zinc/50/99/54/903509954.db2.gz WMZMIUVXIPCWDZ-FDDCHVKYSA-N 1 0 389.499 3.836 20 30 GHEDRO COc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC001171276575 903518047 /nfs/dbraw/zinc/51/80/47/903518047.db2.gz BQWYSCHIXAHYLN-UHFFFAOYSA-N 1 0 380.448 3.882 20 30 GHEDRO COC(=O)c1c(F)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC001171282109 903588516 /nfs/dbraw/zinc/58/85/16/903588516.db2.gz AUWLMABILBMJPQ-UHFFFAOYSA-N 1 0 397.450 3.591 20 30 GHEDRO C#CCSCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001147343782 903762525 /nfs/dbraw/zinc/76/25/25/903762525.db2.gz XTAWIRCKURJQBW-XZOQPEGZSA-N 1 0 392.568 3.693 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)cc1 ZINC000578362217 903768183 /nfs/dbraw/zinc/76/81/83/903768183.db2.gz KLFNJLHAHVUFRB-UHFFFAOYSA-N 1 0 389.459 3.749 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(CC#N)cc1)c1cccc(OC)c1 ZINC000578526164 903934716 /nfs/dbraw/zinc/93/47/16/903934716.db2.gz XTRSBBXZEVOKIA-JOCHJYFZSA-N 1 0 394.519 3.644 20 30 GHEDRO C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)c1 ZINC001148614080 904138389 /nfs/dbraw/zinc/13/83/89/904138389.db2.gz NVQDRWUDWJCDOY-ATZDWAIDSA-N 1 0 380.517 3.507 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2F)CC1 ZINC001148616722 904139745 /nfs/dbraw/zinc/13/97/45/904139745.db2.gz ADUOSAKQPQFDPP-INIZCTEOSA-N 1 0 380.467 3.847 20 30 GHEDRO CC(C)Oc1ccc(C(=O)N2CCC([NH3+])(c3ccc(F)cc3)CC2)cc1C#N ZINC001148779865 904187914 /nfs/dbraw/zinc/18/79/14/904187914.db2.gz TWPSHDLOHRQJCZ-UHFFFAOYSA-N 1 0 381.451 3.575 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000152485871 904274650 /nfs/dbraw/zinc/27/46/50/904274650.db2.gz YKQBIYVIVZTPCC-QAPCUYQASA-N 1 0 383.442 3.962 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153568459 904377556 /nfs/dbraw/zinc/37/75/56/904377556.db2.gz XLCRFKIKVSGYRS-SIKLNZKXSA-N 1 0 381.520 3.583 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000153588856 904380149 /nfs/dbraw/zinc/38/01/49/904380149.db2.gz UYFUZPDIXXVAOV-OAHLLOKOSA-N 1 0 397.972 3.600 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000773162376 904505445 /nfs/dbraw/zinc/50/54/45/904505445.db2.gz QAHBHPUCGRCNQI-FQEVSTJZSA-N 1 0 378.545 3.674 20 30 GHEDRO Cc1nc2ccccc2n1CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000104157236 904544944 /nfs/dbraw/zinc/54/49/44/904544944.db2.gz VXCAXPKNPKFGRZ-UHFFFAOYSA-N 1 0 377.370 3.670 20 30 GHEDRO Cc1cnccc1OC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000579412675 904577829 /nfs/dbraw/zinc/57/78/29/904577829.db2.gz ZHBZNKSLKPJPGK-UHFFFAOYSA-N 1 0 398.894 3.787 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000579497415 904652782 /nfs/dbraw/zinc/65/27/82/904652782.db2.gz BWJKVBKRWQSBEK-KRWDZBQOSA-N 1 0 389.421 3.561 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171475512 904750456 /nfs/dbraw/zinc/75/04/56/904750456.db2.gz DABRUKJGJFEPQY-QGZVFWFLSA-N 1 0 376.447 3.543 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2CN2CCOCC2)c(O)c1 ZINC000005261796 914840269 /nfs/dbraw/zinc/84/02/69/914840269.db2.gz NEVDGYPJQANQIH-JJIBRWJFSA-N 1 0 381.520 3.690 20 30 GHEDRO C[NH+]1CCN(c2ccccc2C(=O)Nc2sc3ccccc3c2C#N)CC1 ZINC001186880062 914850007 /nfs/dbraw/zinc/85/00/07/914850007.db2.gz OHURJZXYYHQPRN-UHFFFAOYSA-N 1 0 376.485 3.777 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1OC ZINC000779161293 904953599 /nfs/dbraw/zinc/95/35/99/904953599.db2.gz LZOPKNCSTPTMLC-SJLPKXTDSA-N 1 0 390.524 3.995 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(-c2ccccc2)n1 ZINC000290894366 914861266 /nfs/dbraw/zinc/86/12/66/914861266.db2.gz LRBNVGBFUYBCAR-IFMALSPDSA-N 1 0 376.504 3.997 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000189495758 905111009 /nfs/dbraw/zinc/11/10/09/905111009.db2.gz QJNSEFOCHLLLKJ-UHFFFAOYSA-N 1 0 384.524 3.693 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000173885468 905155985 /nfs/dbraw/zinc/15/59/85/905155985.db2.gz LXIRMDTWUDICQX-HOTGVXAUSA-N 1 0 396.466 3.770 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(F)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000189563498 905164944 /nfs/dbraw/zinc/16/49/44/905164944.db2.gz GQMOEVJCFBOHGL-SFTDATJTSA-N 1 0 394.450 3.805 20 30 GHEDRO N#Cc1ccc(C(=[NH2+])NC2CCN(c3ccc(Br)cc3)CC2)cc1 ZINC001171992590 905204812 /nfs/dbraw/zinc/20/48/12/905204812.db2.gz KTZYDOYVCBPIMG-UHFFFAOYSA-N 1 0 383.293 3.695 20 30 GHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(N(C)CCC#N)cc3)ccc2NC1=O ZINC000174139354 905209785 /nfs/dbraw/zinc/20/97/85/905209785.db2.gz ZKTYGOYMJQKKDQ-KKSFZXQISA-N 1 0 392.503 3.997 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(C(F)(F)F)cc3O)cc2C#N)CC1 ZINC001212632475 905211764 /nfs/dbraw/zinc/21/17/64/905211764.db2.gz BKCMECMAXYUBDF-UHFFFAOYSA-N 1 0 376.382 3.778 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)cc1C#N ZINC001203339128 905346789 /nfs/dbraw/zinc/34/67/89/905346789.db2.gz LTWWBFRZNGSODK-OAOYMFHYSA-N 1 0 385.508 3.833 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001172304473 905459214 /nfs/dbraw/zinc/45/92/14/905459214.db2.gz NFILZVORBDJZQI-XLIONFOSSA-N 1 0 395.478 3.726 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001172306308 905461099 /nfs/dbraw/zinc/46/10/99/905461099.db2.gz WHSDKQYJFFCGQL-IBGZPJMESA-N 1 0 379.548 3.994 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001172316981 905471573 /nfs/dbraw/zinc/47/15/73/905471573.db2.gz ZMBJQXOGLAFOGM-GOSISDBHSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172289497 905480031 /nfs/dbraw/zinc/48/00/31/905480031.db2.gz DECHMDLHPJFSHB-LLBVYWAGSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001172290606 905480110 /nfs/dbraw/zinc/48/01/10/905480110.db2.gz QWHDPJDIULKVQD-PXNSSMCTSA-N 1 0 399.535 3.637 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001172356589 905526527 /nfs/dbraw/zinc/52/65/27/905526527.db2.gz XKSIBRLGXPZGID-UGKGYDQZSA-N 1 0 379.589 3.528 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001172489460 905596286 /nfs/dbraw/zinc/59/62/86/905596286.db2.gz SKTWGTBPICYNTH-SFHVURJKSA-N 1 0 386.540 3.916 20 30 GHEDRO CC(C)CCN1[C@]2(CC[N@@H+]([C@@H](C)CCCC#N)C2)c2ccccc2S1(=O)=O ZINC001172495024 905597894 /nfs/dbraw/zinc/59/78/94/905597894.db2.gz LTXJGHDOCYPNHZ-RXVVDRJESA-N 1 0 389.565 3.720 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC(c2cc3c(ncn3C)c(-c3cnn(C)c3)n2)CC1 ZINC001172497372 905599384 /nfs/dbraw/zinc/59/93/84/905599384.db2.gz BJTZJBNIBPNQHN-INIZCTEOSA-N 1 0 391.523 3.631 20 30 GHEDRO CCCCCCC[C@H](CCC)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172510631 905603888 /nfs/dbraw/zinc/60/38/88/905603888.db2.gz HIRULHQGGJSZHB-QFIPXVFZSA-N 1 0 389.632 3.975 20 30 GHEDRO CCCCCCC[C@@H](CCC)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2 ZINC001172510363 905604380 /nfs/dbraw/zinc/60/43/80/905604380.db2.gz ANNGUBQRALBBCA-QGZVFWFLSA-N 1 0 376.545 3.660 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H](C)C2CC2)c(OC)c1 ZINC000801588920 921170844 /nfs/dbraw/zinc/17/08/44/921170844.db2.gz WXHXZTYHNRYOOS-ZHRRBRCNSA-N 1 0 380.488 3.910 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000777304423 905742292 /nfs/dbraw/zinc/74/22/92/905742292.db2.gz PXEJKZXFXHQPPG-NRFANRHFSA-N 1 0 381.907 3.902 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001172797979 905870519 /nfs/dbraw/zinc/87/05/19/905870519.db2.gz KGFKAFJRAHAVNT-FQELHTAISA-N 1 0 395.503 3.816 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)cc1OC ZINC000628182834 905996050 /nfs/dbraw/zinc/99/60/50/905996050.db2.gz JJNDXCDCOGUDAN-RBUKOAKNSA-N 1 0 395.927 3.665 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC2 ZINC001172962632 906023600 /nfs/dbraw/zinc/02/36/00/906023600.db2.gz ORMBREPGTSWTDA-PGRDOPGGSA-N 1 0 393.572 3.665 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)nc(Cl)c2)C[C@H]1C#N ZINC001172969428 906031232 /nfs/dbraw/zinc/03/12/32/906031232.db2.gz VKQRPEYZLYZINY-OLZOCXBDSA-N 1 0 385.295 3.770 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](NC(=[NH2+])c2ccc(F)c(Cl)c2)C[C@H]1C#N ZINC001172974064 906039273 /nfs/dbraw/zinc/03/92/73/906039273.db2.gz KJCMZYZLCDTSAC-STQMWFEESA-N 1 0 380.851 3.686 20 30 GHEDRO COc1ccc(C2([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CCC2)cc1 ZINC001172975045 906040850 /nfs/dbraw/zinc/04/08/50/906040850.db2.gz VXXNMVBQJOXEDJ-ROUUACIJSA-N 1 0 385.508 3.956 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C[C@H]1C#N ZINC001172976549 906043158 /nfs/dbraw/zinc/04/31/58/906043158.db2.gz QQFXNJFZOPLRDA-ICSRJNTNSA-N 1 0 384.524 3.537 20 30 GHEDRO COc1ccccc1CC(C)(C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978365 906045487 /nfs/dbraw/zinc/04/54/87/906045487.db2.gz PJGQGJQIBGZNMQ-ROUUACIJSA-N 1 0 387.524 3.898 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c(F)c1 ZINC001172983009 906049583 /nfs/dbraw/zinc/04/95/83/906049583.db2.gz HFHLSNPGAWFFEQ-KKUMJFAQSA-N 1 0 377.460 3.777 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012630 906090280 /nfs/dbraw/zinc/09/02/80/906090280.db2.gz HVSDSUMFGFDWIF-UHFFFAOYSA-N 1 0 386.402 3.845 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)C2 ZINC001173070149 906162332 /nfs/dbraw/zinc/16/23/32/906162332.db2.gz LOLGBJQFKWRLGP-ZVVDCOBXSA-N 1 0 394.556 3.601 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177822097 906222211 /nfs/dbraw/zinc/22/22/11/906222211.db2.gz YYFZSAKHNAQBEV-CQSZACIVSA-N 1 0 392.521 3.685 20 30 GHEDRO C=CCOC1CCC([NH2+]CC[C@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001173311500 906364291 /nfs/dbraw/zinc/36/42/91/906364291.db2.gz KSPJNJVDMKROMW-VIQWUECVSA-N 1 0 394.556 3.506 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)CC1 ZINC001173320637 906369272 /nfs/dbraw/zinc/36/92/72/906369272.db2.gz BQRPYEKJELBTGX-LZBANZJXSA-N 1 0 382.548 3.981 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H](C[NH2+]C3CCC(CC#N)CC3)CO2)C1 ZINC001173325583 906373868 /nfs/dbraw/zinc/37/38/68/906373868.db2.gz KXCZJHMRUJIDEA-JLHLRHAYSA-N 1 0 391.556 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(N2CC[C@H]([NH2+]C3CCC(CC#N)CC3)C2)CC1 ZINC001173333399 906377470 /nfs/dbraw/zinc/37/74/70/906377470.db2.gz KVJUSWLYWHRFIN-ACBHZAAOSA-N 1 0 390.572 3.522 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(N2CC[C@@H]([NH2+]C3CCC(CC#N)CC3)C2)CC1 ZINC001173333400 906378261 /nfs/dbraw/zinc/37/82/61/906378261.db2.gz KVJUSWLYWHRFIN-CTWPCTMYSA-N 1 0 390.572 3.522 20 30 GHEDRO N#CCC1CCC([NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001173336732 906379329 /nfs/dbraw/zinc/37/93/29/906379329.db2.gz JODDBHIYGFKTKG-UHFFFAOYSA-N 1 0 390.325 3.679 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NCCSC)cc1 ZINC000178904138 906399096 /nfs/dbraw/zinc/39/90/96/906399096.db2.gz LPDZYFBPLZEMSL-UHFFFAOYSA-O 1 0 399.605 3.917 20 30 GHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173374662 906403775 /nfs/dbraw/zinc/40/37/75/906403775.db2.gz QIQHKNPTDOFLMQ-WCXIOVBPSA-N 1 0 380.529 3.737 20 30 GHEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173376979 906407178 /nfs/dbraw/zinc/40/71/78/906407178.db2.gz GZVCPTBKVBVCTH-SQNIBIBYSA-N 1 0 379.541 3.848 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1OC ZINC000179051596 906420687 /nfs/dbraw/zinc/42/06/87/906420687.db2.gz QQUBGWNWGLCBMQ-NRFANRHFSA-N 1 0 394.515 3.788 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](CCO)c3ccc(Cl)cc3)CC2)cc1 ZINC001173424579 906460437 /nfs/dbraw/zinc/46/04/37/906460437.db2.gz ZLXXLZMVCKIPQD-NRFANRHFSA-N 1 0 397.906 3.530 20 30 GHEDRO COc1ccc([C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC001173425347 906461521 /nfs/dbraw/zinc/46/15/21/906461521.db2.gz RTOTVZZMJFAGBS-HSZRJFAPSA-N 1 0 389.499 3.912 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(F)c(F)cc3Cl)CC2)cc1 ZINC001173426100 906461982 /nfs/dbraw/zinc/46/19/82/906461982.db2.gz OLSNGABDBYILTM-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO Cc1ccccc1O[C@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173431316 906468546 /nfs/dbraw/zinc/46/85/46/906468546.db2.gz FTWYDGJQNVKUTC-QFIPXVFZSA-N 1 0 389.499 3.625 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCC3(C[C@H]3C(=O)OCC)CC1)C2 ZINC001173613808 906539896 /nfs/dbraw/zinc/53/98/96/906539896.db2.gz YNDXVEUUHJELSW-NWHLSPPLSA-N 1 0 391.552 3.572 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2OCCC[C@@]2(C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173587044 906545655 /nfs/dbraw/zinc/54/56/55/906545655.db2.gz KRSNOXHXNQXZGI-KVCCMIQPSA-N 1 0 391.556 3.855 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)CC1 ZINC001173595680 906548157 /nfs/dbraw/zinc/54/81/57/906548157.db2.gz SPSJTRGLNLBXDU-SCZRWQTQSA-N 1 0 383.536 3.942 20 30 GHEDRO Cc1nc(COC[C@@H]2Cn3nccc3C[N@@H+](C3CCC(C)(C#N)CC3)C2)cs1 ZINC001173594755 906548605 /nfs/dbraw/zinc/54/86/05/906548605.db2.gz LJWMXGQWSQDONG-OCDPCBSRSA-N 1 0 399.564 3.769 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2 ZINC001173599788 906552189 /nfs/dbraw/zinc/55/21/89/906552189.db2.gz QVYKDYDDUZUVPZ-HMXGKDEJSA-N 1 0 395.547 3.624 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)C1 ZINC001173659096 906594389 /nfs/dbraw/zinc/59/43/89/906594389.db2.gz TXHWBGTZHMITEB-SJLPKXTDSA-N 1 0 386.492 3.532 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180075285 906682322 /nfs/dbraw/zinc/68/23/22/906682322.db2.gz VKXKPUJUICXARQ-QUCCMNQESA-N 1 0 392.503 3.664 20 30 GHEDRO O=C(NCC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21)C1N=CC=CC1=O ZINC000180870253 906867107 /nfs/dbraw/zinc/86/71/07/906867107.db2.gz GHYVKYPMMMXEKU-VQZCRYCJSA-N 1 0 386.304 3.548 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(C#N)c1C ZINC000181442145 907002391 /nfs/dbraw/zinc/00/23/91/907002391.db2.gz FPRQHDHZJGNKHL-LSDHHAIUSA-N 1 0 394.475 3.573 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)CC1 ZINC000299301842 921285027 /nfs/dbraw/zinc/28/50/27/921285027.db2.gz GBJWNZWDZKYAQZ-UHFFFAOYSA-N 1 0 390.483 3.522 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181468474 907007600 /nfs/dbraw/zinc/00/76/00/907007600.db2.gz MZQKQJXDOUFRSN-RYRKJORJSA-N 1 0 375.538 3.502 20 30 GHEDRO C[N@@H+]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000181501481 907014346 /nfs/dbraw/zinc/01/43/46/907014346.db2.gz LETMDZONCYFPRX-UHFFFAOYSA-N 1 0 378.476 3.501 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC001174736060 907183364 /nfs/dbraw/zinc/18/33/64/907183364.db2.gz PTGPERMUICEKJR-MRXNPFEDSA-N 1 0 378.259 3.517 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 ZINC000182529792 907223941 /nfs/dbraw/zinc/22/39/41/907223941.db2.gz DMAQRUYUZNQOBJ-QOQLHOOGSA-N 1 0 384.524 3.615 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000779474396 907258878 /nfs/dbraw/zinc/25/88/78/907258878.db2.gz DHCXACBDBAEEFK-UHFFFAOYSA-N 1 0 376.378 3.940 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1F ZINC000192099501 907408867 /nfs/dbraw/zinc/40/88/67/907408867.db2.gz VBDROLBZWLNSFV-MRXNPFEDSA-N 1 0 384.430 3.870 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192107915 907422253 /nfs/dbraw/zinc/42/22/53/907422253.db2.gz XUIYTGBTPVVZHI-UYAOXDASSA-N 1 0 387.842 3.799 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)c(C#N)c1C ZINC001175353408 907514903 /nfs/dbraw/zinc/51/49/03/907514903.db2.gz YIFYPJJZRDHKHX-MJGOQNOKSA-N 1 0 386.540 3.682 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Br ZINC000192242602 907558437 /nfs/dbraw/zinc/55/84/37/907558437.db2.gz ZVSFRTVDPJSWEP-LJQANCHMSA-N 1 0 398.304 3.520 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000192244819 907565951 /nfs/dbraw/zinc/56/59/51/907565951.db2.gz MTQPNELRHAOFAJ-FQEVSTJZSA-N 1 0 395.890 3.667 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)s2)cc1 ZINC000184791979 907658050 /nfs/dbraw/zinc/65/80/50/907658050.db2.gz LMDWSZPBRGGDOW-AWEZNQCLSA-N 1 0 386.521 3.540 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC001175809968 907766088 /nfs/dbraw/zinc/76/60/88/907766088.db2.gz NNBJZWQRDGOJFM-UHFFFAOYSA-N 1 0 376.382 3.612 20 30 GHEDRO C[N@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC001175955577 907864420 /nfs/dbraw/zinc/86/44/20/907864420.db2.gz NJWTUKJNDWXVSY-IBGZPJMESA-N 1 0 375.513 3.609 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000777422544 907907673 /nfs/dbraw/zinc/90/76/73/907907673.db2.gz HIAZYPTUEVZFEA-UHFFFAOYSA-N 1 0 390.622 3.634 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H]1CCCC[C@@H]1C)[n+]1ccc(C)cc1 ZINC000186963060 908012306 /nfs/dbraw/zinc/01/23/06/908012306.db2.gz ZNQOPDDUMLYEPY-YOEHRIQHSA-O 1 0 386.541 3.994 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000299503542 921383919 /nfs/dbraw/zinc/38/39/19/921383919.db2.gz BUVKRSHPSGADKC-ZDUSSCGKSA-N 1 0 384.867 3.849 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)cc1 ZINC001176718424 908244109 /nfs/dbraw/zinc/24/41/09/908244109.db2.gz NRWGUNXAZAFRGU-FQEVSTJZSA-N 1 0 385.305 3.999 20 30 GHEDRO COc1ccc(CCC(=O)N2CCC[N@@H+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189833440 908379881 /nfs/dbraw/zinc/37/98/81/908379881.db2.gz MIZRUJRDOKKBMW-LJQANCHMSA-N 1 0 391.515 3.795 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622359 908509936 /nfs/dbraw/zinc/50/99/36/908509936.db2.gz LIMWBCZTZGNTNM-SBUREZEXSA-N 1 0 399.498 3.504 20 30 GHEDRO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CCN(c2ccccc2)CC1 ZINC001177278117 908513129 /nfs/dbraw/zinc/51/31/29/908513129.db2.gz RGQZMGFGDBZFKD-HXUWFJFHSA-N 1 0 376.548 3.788 20 30 GHEDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(OCC#N)cc1 ZINC000191835457 908682653 /nfs/dbraw/zinc/68/26/53/908682653.db2.gz WHDSIYAKFRRKGR-XXBNENTESA-N 1 0 379.504 3.531 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634374821 908695532 /nfs/dbraw/zinc/69/55/32/908695532.db2.gz FAIHKBJEGOMHDH-KRWDZBQOSA-N 1 0 375.586 3.877 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2cccc(F)c2I)CC1 ZINC001177683773 908695880 /nfs/dbraw/zinc/69/58/80/908695880.db2.gz UOBPPMOZMWTNAT-UHFFFAOYSA-N 1 0 388.268 3.560 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634378800 908696740 /nfs/dbraw/zinc/69/67/40/908696740.db2.gz VMIBVAAXPRFKSH-RTBURBONSA-N 1 0 387.572 3.591 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@@H](C#N)Cc2cccs2)CC1 ZINC001177911952 908798689 /nfs/dbraw/zinc/79/86/89/908798689.db2.gz KBMMFWDKAAKYSG-QGZVFWFLSA-N 1 0 385.508 3.692 20 30 GHEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195350457 909001755 /nfs/dbraw/zinc/00/17/55/909001755.db2.gz XYAQHKHPWDFZKU-UHFFFAOYSA-N 1 0 376.460 3.867 20 30 GHEDRO NC(=NOCc1cc(-c2ccco2)on1)c1ccccc1C[NH+]1CCCCC1 ZINC000195731064 909038211 /nfs/dbraw/zinc/03/82/11/909038211.db2.gz LGGUEFBENUYVCO-UHFFFAOYSA-N 1 0 380.448 3.758 20 30 GHEDRO CO[C@@H](CC[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)C(F)(F)F ZINC001178497078 909057100 /nfs/dbraw/zinc/05/71/00/909057100.db2.gz WSWOCKVJJJRMBM-NSHDSACASA-N 1 0 379.272 3.946 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(Cl)cccc3Br)C2)C1=O ZINC001276025107 921470722 /nfs/dbraw/zinc/47/07/22/921470722.db2.gz KMRPXJDDWHELGK-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2C[N@@H+](CC)CC2(C)C)s1 ZINC001178860483 909287258 /nfs/dbraw/zinc/28/72/58/909287258.db2.gz CRLASIBLXYPXKB-AWEZNQCLSA-N 1 0 388.002 3.685 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)ccc1F ZINC000267490749 909528230 /nfs/dbraw/zinc/52/82/30/909528230.db2.gz WNZNGVVURXLRNE-UHFFFAOYSA-O 1 0 388.532 3.815 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2cnc3ccccc3c2)c(-c2ccncc2)n1 ZINC001179538064 909586011 /nfs/dbraw/zinc/58/60/11/909586011.db2.gz XCDOKKAIZBBODA-UHFFFAOYSA-N 1 0 382.471 3.739 20 30 GHEDRO CC#CC(=O)N(CC[NH+](CC)CC)[C@@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001179751554 909712285 /nfs/dbraw/zinc/71/22/85/909712285.db2.gz HCMQXOFKOJLYHI-JOCHJYFZSA-N 1 0 386.536 3.511 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1 ZINC000268777866 910009923 /nfs/dbraw/zinc/00/99/23/910009923.db2.gz WNLTVFZTZFNIRT-QGZVFWFLSA-N 1 0 387.911 3.900 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1S(=O)(=O)C(F)F ZINC000268803910 910023891 /nfs/dbraw/zinc/02/38/91/910023891.db2.gz LFMIWFPATWSVKS-QWHCGFSZSA-N 1 0 394.443 3.975 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccccc2Oc2ccc(C)cc2OC)CC1 ZINC001181174703 910585862 /nfs/dbraw/zinc/58/58/62/910585862.db2.gz CGKHMSYRENRMJY-UHFFFAOYSA-N 1 0 392.499 3.757 20 30 GHEDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000773919305 910757425 /nfs/dbraw/zinc/75/74/25/910757425.db2.gz GYELDNXYGCWSLV-WMZHIEFXSA-N 1 0 399.535 3.541 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnc([C@@H]4CCCO4)s3)CC2)nc1 ZINC000271071521 910775106 /nfs/dbraw/zinc/77/51/06/910775106.db2.gz NTKISXXCXZBJGB-HTWSVDAQSA-N 1 0 384.505 3.741 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC2(C)CC2)cc1 ZINC000284042154 911730116 /nfs/dbraw/zinc/73/01/16/911730116.db2.gz IZSWCLQYXPQZOS-UHFFFAOYSA-O 1 0 398.508 3.834 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(N(C)C)cc2)cc1C ZINC000284061008 911738236 /nfs/dbraw/zinc/73/82/36/911738236.db2.gz JRMBINPTZLYKLC-UHFFFAOYSA-O 1 0 382.553 3.738 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c(Cl)nc4ccccn43)CC2)nc1 ZINC000092853942 911865171 /nfs/dbraw/zinc/86/51/71/911865171.db2.gz FEUXYFDTZCPNNH-UHFFFAOYSA-N 1 0 381.867 3.734 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000284538658 911915671 /nfs/dbraw/zinc/91/56/71/911915671.db2.gz PJFMPSXCLKEQIT-UHFFFAOYSA-N 1 0 391.515 3.891 20 30 GHEDRO C[C@H](C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC001182797406 912029671 /nfs/dbraw/zinc/02/96/71/912029671.db2.gz DHHRUFHVTBCNDW-IBGZPJMESA-N 1 0 375.516 3.733 20 30 GHEDRO C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(C#N)cc1 ZINC001182800624 912031115 /nfs/dbraw/zinc/03/11/15/912031115.db2.gz UBTLPSQASJYOBI-NLSFWIRASA-N 1 0 386.499 3.832 20 30 GHEDRO CC#CCCCCCCCC(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001182768927 912038033 /nfs/dbraw/zinc/03/80/33/912038033.db2.gz NOFHGQBWRHDZLK-ISKFKSNPSA-N 1 0 388.596 3.947 20 30 GHEDRO COc1ccc(N2C[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2=O)cc1 ZINC001182816877 912063102 /nfs/dbraw/zinc/06/31/02/912063102.db2.gz MUKKZVNILWEELK-ITGJCUMNSA-N 1 0 389.499 3.794 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248415778 912069863 /nfs/dbraw/zinc/06/98/63/912069863.db2.gz OOOGPTRCWQYIKA-SCTDSRPQSA-N 1 0 378.476 3.762 20 30 GHEDRO C[C@H]1[C@H](CC(=O)Nc2[nH]cnc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186933437 914881781 /nfs/dbraw/zinc/88/17/81/914881781.db2.gz CIPSVPSMVKDDBR-QFBILLFUSA-N 1 0 385.471 3.720 20 30 GHEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)N2CCCC2)cc1 ZINC000303698239 915066837 /nfs/dbraw/zinc/06/68/37/915066837.db2.gz GCEOXJPLZWHARE-JOCHJYFZSA-N 1 0 378.520 3.748 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(CO)cc2)cc1OC ZINC000647229719 915093505 /nfs/dbraw/zinc/09/35/05/915093505.db2.gz SPUODBOVHXQFEO-UHFFFAOYSA-N 1 0 392.293 3.805 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000303790328 915112126 /nfs/dbraw/zinc/11/21/26/915112126.db2.gz FFPNUFPHZPAAMQ-UHFFFAOYSA-N 1 0 380.366 3.976 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(C(=O)N(C)C)cc1 ZINC000303771923 915120322 /nfs/dbraw/zinc/12/03/22/915120322.db2.gz DACBHDYFGOLGMC-UHFFFAOYSA-N 1 0 380.536 3.732 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCNC(=O)c2ccco2)cc1 ZINC000303776083 915122138 /nfs/dbraw/zinc/12/21/38/915122138.db2.gz HKTFXCWPXPBKDU-UHFFFAOYSA-N 1 0 376.460 3.576 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1ccc(-n2ccnc2)nc1)c1ccc(Cl)cc1Cl ZINC000303784738 915127722 /nfs/dbraw/zinc/12/77/22/915127722.db2.gz PRPSINFKGUSSIY-LBPRGKRZSA-N 1 0 389.290 3.740 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000303829500 915177680 /nfs/dbraw/zinc/17/76/80/915177680.db2.gz GHYYSIIUICASLA-HXUWFJFHSA-N 1 0 382.529 3.963 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000303877503 915237073 /nfs/dbraw/zinc/23/70/73/915237073.db2.gz FIZLXXIEAZFDQS-HXUWFJFHSA-N 1 0 386.927 3.703 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000303882751 915296529 /nfs/dbraw/zinc/29/65/29/915296529.db2.gz IKQYXSATMADXFF-IBGZPJMESA-N 1 0 388.487 3.653 20 30 GHEDRO COc1ccc(C)cc1C1(CNC(=[NH+]Cc2ccccc2)N(C)C)CCOCC1 ZINC000303884367 915296949 /nfs/dbraw/zinc/29/69/49/915296949.db2.gz MSLOKQRGRXVCDN-UHFFFAOYSA-N 1 0 395.547 3.759 20 30 GHEDRO CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)c1 ZINC000303888185 915298266 /nfs/dbraw/zinc/29/82/66/915298266.db2.gz LGYHEDRTRAZNCG-CYBMUJFWSA-N 1 0 388.899 3.804 20 30 GHEDRO Cc1cccc(NC(=[NH2+])NCc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000303892633 915300490 /nfs/dbraw/zinc/30/04/90/915300490.db2.gz NTMBRAUCUJFDNK-UHFFFAOYSA-N 1 0 376.460 3.775 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCC(=O)N2CCCCC2)cc1 ZINC000303895772 915300593 /nfs/dbraw/zinc/30/05/93/915300593.db2.gz PPDNRTOUPMODLG-UHFFFAOYSA-N 1 0 378.520 3.765 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000303892498 915300823 /nfs/dbraw/zinc/30/08/23/915300823.db2.gz RGAYZSPZWGILBK-NRFANRHFSA-N 1 0 384.499 3.749 20 30 GHEDRO [NH2+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC1CCCCC1 ZINC000303893137 915301527 /nfs/dbraw/zinc/30/15/27/915301527.db2.gz RRSQVLBUVLRAAH-CQSZACIVSA-N 1 0 379.346 3.512 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000303905808 915306581 /nfs/dbraw/zinc/30/65/81/915306581.db2.gz ZOHNVKPIKSROGN-CQSZACIVSA-N 1 0 382.291 3.722 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1OCC ZINC000647533393 915317393 /nfs/dbraw/zinc/31/73/93/915317393.db2.gz QWJCUWYVXWWXNH-RDJZCZTQSA-N 1 0 395.341 3.596 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccnc(OC3CCCCC3)c2)c1 ZINC000303976175 915345786 /nfs/dbraw/zinc/34/57/86/915345786.db2.gz JVNKEVOUZGOBOQ-UHFFFAOYSA-N 1 0 384.480 3.737 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)c2ccc3c(c2)OCO3)cc1Cl ZINC000303983352 915348707 /nfs/dbraw/zinc/34/87/07/915348707.db2.gz RCSPOKGLMXNHTL-UHFFFAOYSA-N 1 0 375.856 3.782 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NCC(=O)Nc2cc(Br)ccc2C)cc1C ZINC000303981757 915348749 /nfs/dbraw/zinc/34/87/49/915348749.db2.gz PNFJTHMBYDCVOE-UHFFFAOYSA-N 1 0 389.297 3.740 20 30 GHEDRO CN1[C@@H](C(=O)Nc2ccc(F)c(CC#N)c2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187632127 915399156 /nfs/dbraw/zinc/39/91/56/915399156.db2.gz SVSIVFAZXBHQJF-KAGYGMCKSA-N 1 0 379.435 3.674 20 30 GHEDRO [NH2+]=C(Nc1cccc(Oc2ccccc2)c1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000304467250 915517043 /nfs/dbraw/zinc/51/70/43/915517043.db2.gz CBVMGUFVKAWYHA-HNNXBMFYSA-N 1 0 378.398 3.842 20 30 GHEDRO [NH2+]=C(NCC(=O)N1CCc2ccccc21)Nc1cccc(Oc2ccccc2)c1 ZINC000304506129 915526323 /nfs/dbraw/zinc/52/63/23/915526323.db2.gz QZAMWEKDQSPLNI-UHFFFAOYSA-N 1 0 386.455 3.795 20 30 GHEDRO COc1cc(CCNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1O ZINC000304764651 915700285 /nfs/dbraw/zinc/70/02/85/915700285.db2.gz YIAGWAXZZMEKKM-NSHDSACASA-N 1 0 382.291 3.916 20 30 GHEDRO [NH2+]=C(NCc1csc(CCc2ccccc2)n1)N[C@H]1CCOc2ccccc21 ZINC000304810520 915722228 /nfs/dbraw/zinc/72/22/28/915722228.db2.gz LBMDYHVQUOTYMZ-IBGZPJMESA-N 1 0 392.528 3.856 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C2)CC1 ZINC000292919610 915903217 /nfs/dbraw/zinc/90/32/17/915903217.db2.gz GDMVHSFBYDVSDC-OAHLLOKOSA-N 1 0 394.441 3.556 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])N[C@H](CC)CS(=O)(=O)c1ccccc1 ZINC000305211185 916008112 /nfs/dbraw/zinc/00/81/12/916008112.db2.gz PDURZVHZZVWIOL-GOSISDBHSA-N 1 0 387.549 3.791 20 30 GHEDRO CCOc1ccc(Cl)cc1CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000305309529 916052361 /nfs/dbraw/zinc/05/23/61/916052361.db2.gz QIAGOKZGAPYFKT-UHFFFAOYSA-N 1 0 377.872 3.725 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1=O ZINC001275715118 916314688 /nfs/dbraw/zinc/31/46/88/916314688.db2.gz MWMXMFYZHAFSDQ-IBGZPJMESA-N 1 0 388.309 3.541 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000360796328 916323261 /nfs/dbraw/zinc/32/32/61/916323261.db2.gz ZFTGTJLKWVXWRK-QHCPKHFHSA-N 1 0 376.500 3.548 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC001189589305 916763294 /nfs/dbraw/zinc/76/32/94/916763294.db2.gz RQMLICHQXAEBIJ-UHFFFAOYSA-N 1 0 384.568 3.808 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](CCc1cccc(Br)c1)CC2 ZINC001275752337 916868673 /nfs/dbraw/zinc/86/86/73/916868673.db2.gz UPYQESGIDVUNCQ-UHFFFAOYSA-N 1 0 391.353 3.882 20 30 GHEDRO C=CCN(C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000362340293 917219796 /nfs/dbraw/zinc/21/97/96/917219796.db2.gz KQWZFXPGTHDVHH-HXUWFJFHSA-N 1 0 379.508 3.821 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)C[C@H](O)c1ccccc1Br ZINC000295381783 917297709 /nfs/dbraw/zinc/29/77/09/917297709.db2.gz QQHFTBANMISGIZ-KRWDZBQOSA-N 1 0 381.314 3.515 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)c2cccc(C#N)c2F)CC3)cs1 ZINC001190536518 917394656 /nfs/dbraw/zinc/39/46/56/917394656.db2.gz RZQCQLLWWFGLJF-UHFFFAOYSA-N 1 0 398.507 3.733 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775397744 917411838 /nfs/dbraw/zinc/41/18/38/917411838.db2.gz AVEAWDYNQFAQQP-LJQANCHMSA-N 1 0 390.405 3.555 20 30 GHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1 ZINC000796465430 917556021 /nfs/dbraw/zinc/55/60/21/917556021.db2.gz NJXPGBXAJJVYNW-OAQYLSRUSA-N 1 0 393.487 3.575 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000651273203 917561324 /nfs/dbraw/zinc/56/13/24/917561324.db2.gz FWRYUANNHPZTNS-UHFFFAOYSA-N 1 0 382.426 3.774 20 30 GHEDRO C=CCC1(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001190783999 917564063 /nfs/dbraw/zinc/56/40/63/917564063.db2.gz PDSXUBCPCNVUCH-YTQUADARSA-N 1 0 394.606 3.719 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)cc1 ZINC001190818279 917580037 /nfs/dbraw/zinc/58/00/37/917580037.db2.gz HZNLHRAQYPGPAQ-UHFFFAOYSA-N 1 0 375.472 3.876 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001190911367 917659383 /nfs/dbraw/zinc/65/93/83/917659383.db2.gz XHFNUHHGIHWULQ-OAHLLOKOSA-N 1 0 399.541 3.572 20 30 GHEDRO C=CC[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccncc1 ZINC000796482684 917697258 /nfs/dbraw/zinc/69/72/58/917697258.db2.gz NVYKYWCZCKCZMX-UXHICEINSA-N 1 0 385.458 3.972 20 30 GHEDRO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001191289460 917899037 /nfs/dbraw/zinc/89/90/37/917899037.db2.gz MQLXJXCDRNCHPM-QGZVFWFLSA-N 1 0 381.907 3.530 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)c1 ZINC001192182920 918531035 /nfs/dbraw/zinc/53/10/35/918531035.db2.gz CCCVLSJIFPBZGK-NRFANRHFSA-N 1 0 375.472 3.770 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001192255683 918541329 /nfs/dbraw/zinc/54/13/29/918541329.db2.gz HAVRVMHPBHPFAH-NRFANRHFSA-N 1 0 389.499 3.836 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(Cl)cc3Br)CC2)C1=O ZINC001275903440 919437660 /nfs/dbraw/zinc/43/76/60/919437660.db2.gz WPUZYSHPUADVCT-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO COc1cc(NC(=O)Nc2cccc(C#N)c2)ccc1OCC[NH+]1CCCC1 ZINC001202791622 919500487 /nfs/dbraw/zinc/50/04/87/919500487.db2.gz HLFHSGXZJJIAIW-UHFFFAOYSA-N 1 0 380.448 3.685 20 30 GHEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000118818643 919597676 /nfs/dbraw/zinc/59/76/76/919597676.db2.gz MAHJHOWYZRRBLH-GOSISDBHSA-N 1 0 396.466 3.692 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c(OC)c1 ZINC000800399960 920033385 /nfs/dbraw/zinc/03/33/85/920033385.db2.gz VNNQXLBMWUUQTP-UXHICEINSA-N 1 0 387.907 3.574 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000365289977 920610046 /nfs/dbraw/zinc/61/00/46/920610046.db2.gz HQNLFSLENLNDQY-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)c2ccccc2C#N)[C@H]1c1cccs1 ZINC000900826157 920639876 /nfs/dbraw/zinc/63/98/76/920639876.db2.gz LUGOZFRRSYDMDS-QAPCUYQASA-N 1 0 389.471 3.911 20 30 GHEDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1=O ZINC001275980068 920690292 /nfs/dbraw/zinc/69/02/92/920690292.db2.gz OAGSEUCITCKTQQ-LIRRHRJNSA-N 1 0 390.325 3.544 20 30 GHEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C1CC1 ZINC000365467205 920827360 /nfs/dbraw/zinc/82/73/60/920827360.db2.gz ZUKDYELLAUKYDY-UHFFFAOYSA-N 1 0 389.499 3.861 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000365507315 920883560 /nfs/dbraw/zinc/88/35/60/920883560.db2.gz ITPNSPUYHAGECR-UHFFFAOYSA-N 1 0 393.944 3.507 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000902766440 922483528 /nfs/dbraw/zinc/48/35/28/922483528.db2.gz KUPYXQADGWWSOP-LJQANCHMSA-N 1 0 385.533 3.876 20 30 GHEDRO C[C@@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1cc(C#N)ccn1 ZINC000902902660 922588735 /nfs/dbraw/zinc/58/87/35/922588735.db2.gz HPVVVCXNZZDXQZ-QGZVFWFLSA-N 1 0 377.492 3.941 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cccc(C#N)c1 ZINC000903093371 922766260 /nfs/dbraw/zinc/76/62/60/922766260.db2.gz ISAJCQAGGQULGY-QFIPXVFZSA-N 1 0 376.504 3.501 20 30 GHEDRO C=CCC[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)[C@@H]1Cc2ccccc2O1 ZINC000903150455 922810605 /nfs/dbraw/zinc/81/06/05/922810605.db2.gz RMIPFBQDFGHRME-JBZVSFTFSA-N 1 0 377.550 3.518 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000903280106 922905464 /nfs/dbraw/zinc/90/54/64/922905464.db2.gz SJERWLJMFAKQLN-PWZMACLNSA-N 1 0 391.556 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CCCC3(C#N)CCOCC3)C2)CC1 ZINC000369201934 923201477 /nfs/dbraw/zinc/20/14/77/923201477.db2.gz DLGCTCMLYVTWEM-UHFFFAOYSA-N 1 0 391.556 3.810 20 30 GHEDRO N#CC[C@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000369213316 923209141 /nfs/dbraw/zinc/20/91/41/923209141.db2.gz FVOIFCOFQGSUIV-FYYLOGMGSA-N 1 0 375.516 3.755 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000369314528 923272657 /nfs/dbraw/zinc/27/26/57/923272657.db2.gz NXVJJRYBOQOCAW-UHFFFAOYSA-N 1 0 394.441 3.505 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCSC1 ZINC000748648642 923761927 /nfs/dbraw/zinc/76/19/27/923761927.db2.gz YHSWQDLPDYLMAL-UNMCSNQZSA-N 1 0 394.544 3.901 20 30 GHEDRO CCN(C(=O)c1ccc(C=NOC)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000748714444 923796358 /nfs/dbraw/zinc/79/63/58/923796358.db2.gz GQFGJQPBZOAUMM-XMSQKQJNSA-N 1 0 379.504 3.965 20 30 GHEDRO COc1ccc(NC(=S)NN=C2CCCC[C@H]2[NH+]2CCCCC2)cc1OC ZINC000748782040 923827862 /nfs/dbraw/zinc/82/78/62/923827862.db2.gz IIJWLBZWAUHULJ-QGZVFWFLSA-N 1 0 390.553 3.775 20 30 GHEDRO COc1ccccc1NC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccccc1 ZINC000010118251 923839084 /nfs/dbraw/zinc/83/90/84/923839084.db2.gz RIUBUILEESJWHF-UHFFFAOYSA-O 1 0 394.520 3.989 20 30 GHEDRO N#Cc1cccc([C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CCO2)c1 ZINC000371266725 924503855 /nfs/dbraw/zinc/50/38/55/924503855.db2.gz PSPKJNOUNXOGSN-HSZRJFAPSA-N 1 0 389.499 3.758 20 30 GHEDRO N#C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC12CCCC2 ZINC000827096492 924738681 /nfs/dbraw/zinc/73/86/81/924738681.db2.gz WOHRHYYDCMNHDM-UWJYYQICSA-N 1 0 387.911 3.600 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(C)ccc3Br)C2)C1=O ZINC001137382485 925201271 /nfs/dbraw/zinc/20/12/71/925201271.db2.gz YAXZJRLOMPQBQT-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(Cl)ccc(C)c3F)C2)C1=O ZINC001276076335 925256564 /nfs/dbraw/zinc/25/65/64/925256564.db2.gz ATEJQOHSCXAPBO-FQEVSTJZSA-N 1 0 378.875 3.705 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cc(O)ccc1Br)CC2 ZINC001276089431 925479547 /nfs/dbraw/zinc/47/95/47/925479547.db2.gz MZSCOLWBKWEEDU-UHFFFAOYSA-N 1 0 393.325 3.545 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3ccc(N4CC[NH+](CC)CC4)nc3)no2)cc1 ZINC000680740930 925587375 /nfs/dbraw/zinc/58/73/75/925587375.db2.gz SDSQMMVYHSOLGM-UHFFFAOYSA-N 1 0 391.475 3.505 20 30 GHEDRO CSc1ccc(C[N@@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)s1 ZINC001276147257 926006940 /nfs/dbraw/zinc/00/69/40/926006940.db2.gz RHFKGMYAWAKXPX-LJQANCHMSA-N 1 0 377.579 3.978 20 30 GHEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000411381566 926346465 /nfs/dbraw/zinc/34/64/65/926346465.db2.gz BCILTPSFRCWXQE-VBKZILBWSA-N 1 0 399.878 3.680 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000725864322 926473380 /nfs/dbraw/zinc/47/33/80/926473380.db2.gz JRWDSXBFCXJQKM-UHFFFAOYSA-N 1 0 380.330 3.770 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000411715624 926674946 /nfs/dbraw/zinc/67/49/46/926674946.db2.gz CRWCJTHESPPNPO-SFHVURJKSA-N 1 0 392.286 3.907 20 30 GHEDRO C[NH+]1CCC2(CCCN(C(=O)c3occc3COc3cccc(C#N)c3)C2)CC1 ZINC000374099196 926758632 /nfs/dbraw/zinc/75/86/32/926758632.db2.gz KVNPDXWPSHMYHU-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)cc(OC)cc3Cl)CC2)C1=O ZINC001276180618 926878354 /nfs/dbraw/zinc/87/83/54/926878354.db2.gz IPPXXXUDYWNMRD-FQEVSTJZSA-N 1 0 395.330 3.840 20 30 GHEDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000411962181 926950053 /nfs/dbraw/zinc/95/00/53/926950053.db2.gz AZESYQDDSNBYDH-KSFYIVLOSA-N 1 0 386.540 3.823 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000412058780 927059484 /nfs/dbraw/zinc/05/94/84/927059484.db2.gz AZXFEXBEKZGCNG-INIZCTEOSA-N 1 0 396.491 3.942 20 30 GHEDRO Cc1cc(NC(=O)c2sccc2C#N)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374416934 927115244 /nfs/dbraw/zinc/11/52/44/927115244.db2.gz AZVFPMZSEDBZHG-SFHVURJKSA-N 1 0 391.500 3.824 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)CC1 ZINC000749581494 927201650 /nfs/dbraw/zinc/20/16/50/927201650.db2.gz CGZJWZZUJFFXIC-UHFFFAOYSA-N 1 0 379.504 3.815 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000749592515 927206010 /nfs/dbraw/zinc/20/60/10/927206010.db2.gz YLMYGSSPOMIDMS-UWJYYQICSA-N 1 0 378.476 3.621 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CCC(n3cc(Cl)cn3)CC2)c2ccccc21 ZINC000374832786 927576633 /nfs/dbraw/zinc/57/66/33/927576633.db2.gz AOGBBJXVHXJBHK-UHFFFAOYSA-N 1 0 395.894 3.925 20 30 GHEDRO CCCc1nc(C)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000374901953 927674753 /nfs/dbraw/zinc/67/47/53/927674753.db2.gz YRKTXLORVCNYHE-UHFFFAOYSA-N 1 0 382.533 3.692 20 30 GHEDRO CCN(CCC#N)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000750594776 927738746 /nfs/dbraw/zinc/73/87/46/927738746.db2.gz BCBCGOFRLRNGBD-UHFFFAOYSA-N 1 0 385.512 3.659 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC2(CCOCC2)[C@@H]1C(C)C)C(C)C ZINC000413122217 928232008 /nfs/dbraw/zinc/23/20/08/928232008.db2.gz YWFDLUPRLGSPMG-PMACEKPBSA-N 1 0 377.573 3.532 20 30 GHEDRO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413146067 928258272 /nfs/dbraw/zinc/25/82/72/928258272.db2.gz MOOJXKSNQKYYAT-UHFFFAOYSA-N 1 0 386.481 3.566 20 30 GHEDRO C[C@@H](CCNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@H+](C)Cc1ccccc1 ZINC000469216054 929700434 /nfs/dbraw/zinc/70/04/34/929700434.db2.gz CSPAOQDQESJSKC-KRWDZBQOSA-N 1 0 388.471 3.854 20 30 GHEDRO C=CCCOCCNC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000757685616 929770717 /nfs/dbraw/zinc/77/07/17/929770717.db2.gz CZACAYYQLBCXHR-UHFFFAOYSA-N 1 0 394.947 3.586 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000469387111 929839755 /nfs/dbraw/zinc/83/97/55/929839755.db2.gz WMZRZZPUOVSUKD-UHFFFAOYSA-N 1 0 379.504 3.792 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)COc3ccc(C#N)cc3)CCC[N@@H+]2C)cc1 ZINC000757900277 929847479 /nfs/dbraw/zinc/84/74/79/929847479.db2.gz DLGFBNUQKJZYFK-WMZHIEFXSA-N 1 0 394.471 3.572 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C#N)c3ccccc3Cl)CC2)c1 ZINC000469483225 929929611 /nfs/dbraw/zinc/92/96/11/929929611.db2.gz CSVJXWJXZUMBGS-NRFANRHFSA-N 1 0 396.922 3.542 20 30 GHEDRO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546224625 929972005 /nfs/dbraw/zinc/97/20/05/929972005.db2.gz FSJDVIDRDFEBHW-FQEVSTJZSA-N 1 0 396.922 3.747 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469737657 930124873 /nfs/dbraw/zinc/12/48/73/930124873.db2.gz RWEXCRJEIQRGRV-QWHCGFSZSA-N 1 0 384.307 3.643 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000469880381 930232011 /nfs/dbraw/zinc/23/20/11/930232011.db2.gz IZLJCUOHXDDFSJ-YQQAZPJKSA-N 1 0 395.341 3.582 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000546708612 930372282 /nfs/dbraw/zinc/37/22/82/930372282.db2.gz FOMHROVOMXBRBB-UHFFFAOYSA-N 1 0 393.491 3.732 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)CC1 ZINC000780458942 930525455 /nfs/dbraw/zinc/52/54/55/930525455.db2.gz ZDECRCWTDHJHEO-QGZVFWFLSA-N 1 0 393.491 3.763 20 30 GHEDRO C#CCCCCCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000780487187 930531409 /nfs/dbraw/zinc/53/14/09/930531409.db2.gz MBUSQVZPTIOWBQ-UHFFFAOYSA-N 1 0 375.944 3.552 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471011520 931093188 /nfs/dbraw/zinc/09/31/88/931093188.db2.gz ZTHPQVROVILJOQ-BGYRXZFFSA-N 1 0 396.332 3.885 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000782515062 931250158 /nfs/dbraw/zinc/25/01/58/931250158.db2.gz BLKGYYIKYNRQSR-UHFFFAOYSA-N 1 0 385.552 3.742 20 30 GHEDRO COc1cc(C#N)cc(Cl)c1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000557531593 931523544 /nfs/dbraw/zinc/52/35/44/931523544.db2.gz QNPKLPCJFKGSKL-GOSISDBHSA-N 1 0 386.879 3.890 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCC[N@@H+]3CCc4sccc4C3)c2c1 ZINC000557537833 931527451 /nfs/dbraw/zinc/52/74/51/931527451.db2.gz HMNFMFHNRITRQL-UHFFFAOYSA-N 1 0 394.500 3.655 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN(C)CC2([NH+](C)C)CCC2)c1=S ZINC000783548982 931578298 /nfs/dbraw/zinc/57/82/98/931578298.db2.gz YNOVVHGOZUJMSS-UHFFFAOYSA-N 1 0 385.581 3.949 20 30 GHEDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925272161 931726745 /nfs/dbraw/zinc/72/67/45/931726745.db2.gz SEIVDUZRYBPZGH-FGTMMUONSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1O ZINC000777556958 931732465 /nfs/dbraw/zinc/73/24/65/931732465.db2.gz IGTDKQPLLBATNS-QHCPKHFHSA-N 1 0 378.472 3.615 20 30 GHEDRO C[C@H]1[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000925314556 931739960 /nfs/dbraw/zinc/73/99/60/931739960.db2.gz HCAKAWWIOLRCPT-HRAATJIYSA-N 1 0 378.476 3.546 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000784481866 931909574 /nfs/dbraw/zinc/90/95/74/931909574.db2.gz DIILHWFEDRDFAC-MJGOQNOKSA-N 1 0 390.405 3.806 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000784481865 931909665 /nfs/dbraw/zinc/90/96/65/931909665.db2.gz DIILHWFEDRDFAC-IEBWSBKVSA-N 1 0 390.405 3.806 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)cc(OC)c1OC ZINC000796809559 932075545 /nfs/dbraw/zinc/07/55/45/932075545.db2.gz AZIKMBLPUURSGY-INIZCTEOSA-N 1 0 378.476 3.864 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000558630661 932124871 /nfs/dbraw/zinc/12/48/71/932124871.db2.gz STQCEWDUFHZICH-PZJWPPBQSA-N 1 0 383.536 3.878 20 30 GHEDRO CO[C@](C)(C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926455553 932191127 /nfs/dbraw/zinc/19/11/27/932191127.db2.gz AFXOILZFVHSFOH-OXQOHEQNSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000926523161 932216503 /nfs/dbraw/zinc/21/65/03/932216503.db2.gz BPWYYXGIJIZTJM-SJORKVTESA-N 1 0 391.581 3.533 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000926667810 932267372 /nfs/dbraw/zinc/26/73/72/932267372.db2.gz BTNSXCPZZUETKS-VDGAXYAQSA-N 1 0 399.535 3.554 20 30 GHEDRO COC1CC(CC[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000926674042 932268514 /nfs/dbraw/zinc/26/85/14/932268514.db2.gz AEKSGJCOGYKRNM-WWDZGPRUSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CC1(C#N)CCCC1)CCO2 ZINC000926878634 932334390 /nfs/dbraw/zinc/33/43/90/932334390.db2.gz GWFLXOLMCKAFHF-KRWDZBQOSA-N 1 0 377.529 3.609 20 30 GHEDRO C[C@@H]([NH2+]CC1(N(C)Cc2ccccc2)CCOCC1)c1ccc(OCC#N)cc1 ZINC000926956953 932362768 /nfs/dbraw/zinc/36/27/68/932362768.db2.gz DOBBAPNTBZZENV-HXUWFJFHSA-N 1 0 393.531 3.921 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CCC)CC1 ZINC000559003404 932367284 /nfs/dbraw/zinc/36/72/84/932367284.db2.gz CDEKCOBHFADSQQ-UHFFFAOYSA-N 1 0 390.535 3.910 20 30 GHEDRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](C[NH2+][C@@H]1CCc3ccc(C#N)cc31)O2 ZINC000926994491 932374203 /nfs/dbraw/zinc/37/42/03/932374203.db2.gz JWXMPFCOPNQWIP-MCGOBGFWSA-N 1 0 382.504 3.805 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000559266556 932566074 /nfs/dbraw/zinc/56/60/74/932566074.db2.gz HAACAQVXIMGHPM-OAQYLSRUSA-N 1 0 375.516 3.848 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000559728668 932820406 /nfs/dbraw/zinc/82/04/06/932820406.db2.gz BPICGAOAPCLESJ-HXUWFJFHSA-N 1 0 399.498 3.952 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000559728666 932820484 /nfs/dbraw/zinc/82/04/84/932820484.db2.gz BPICGAOAPCLESJ-FQEVSTJZSA-N 1 0 399.498 3.952 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1)C(=O)OC(C)(C)C ZINC000799120548 932881326 /nfs/dbraw/zinc/88/13/26/932881326.db2.gz XNPPQNHZENMLGB-GOSISDBHSA-N 1 0 379.545 3.666 20 30 GHEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000799121430 932882070 /nfs/dbraw/zinc/88/20/70/932882070.db2.gz ZAPCXHKPPUHPMR-SFHVURJKSA-N 1 0 379.545 3.808 20 30 GHEDRO C=CCN1CC[C@@H]([N@H+](C)Cc2c(O)ccc3cc(Br)ccc32)C1=O ZINC000799143900 932887581 /nfs/dbraw/zinc/88/75/81/932887581.db2.gz QUXPXRHRFJRIJR-QGZVFWFLSA-N 1 0 389.293 3.527 20 30 GHEDRO COc1ccc(C[N@H+](C2CC2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000560017174 933021035 /nfs/dbraw/zinc/02/10/35/933021035.db2.gz ACELSGKGZPLVAF-JOCHJYFZSA-N 1 0 375.472 3.727 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1C#N ZINC000799636093 933073946 /nfs/dbraw/zinc/07/39/46/933073946.db2.gz COYOYCMBULQGQE-UHFFFAOYSA-N 1 0 397.906 3.793 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000560165920 933103235 /nfs/dbraw/zinc/10/32/35/933103235.db2.gz BULLRKXENPTETF-CTNGQTDRSA-N 1 0 397.588 3.510 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000799951830 933187011 /nfs/dbraw/zinc/18/70/11/933187011.db2.gz HMTAUYGTBNXNPJ-QFIPXVFZSA-N 1 0 375.451 3.962 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(OCC#N)cc1 ZINC001116617748 933667436 /nfs/dbraw/zinc/66/74/36/933667436.db2.gz VPJZPMZMOFLMKM-NRFANRHFSA-N 1 0 380.492 3.867 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001116869446 933802986 /nfs/dbraw/zinc/80/29/86/933802986.db2.gz AWYSGWPKLCQGSQ-UHFFFAOYSA-N 1 0 392.547 3.726 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001116924510 933830964 /nfs/dbraw/zinc/83/09/64/933830964.db2.gz UTIKWYNYZPYYOP-UHFFFAOYSA-N 1 0 383.540 3.662 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000561115377 933881202 /nfs/dbraw/zinc/88/12/02/933881202.db2.gz YHBYJFHJUSRLKK-RTBURBONSA-N 1 0 379.504 3.924 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000561202574 933954856 /nfs/dbraw/zinc/95/48/56/933954856.db2.gz GMFMGJJIYCMAQK-UHFFFAOYSA-N 1 0 378.476 3.694 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC001117634051 933967490 /nfs/dbraw/zinc/96/74/90/933967490.db2.gz XTVYZONTEVVZBJ-MRXNPFEDSA-N 1 0 379.464 3.599 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001117870770 934058162 /nfs/dbraw/zinc/05/81/62/934058162.db2.gz KYOPHISQPVAJFD-UHFFFAOYSA-N 1 0 390.325 3.848 20 30 GHEDRO C[C@@](O)(C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)C(F)(F)C(F)(F)F ZINC000930695463 934189528 /nfs/dbraw/zinc/18/95/28/934189528.db2.gz LZBGVFZCIBFQDI-WDEREUQCSA-N 1 0 399.322 3.616 20 30 GHEDRO CC(C)(C#N)CCC[NH+]1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000931006440 934334148 /nfs/dbraw/zinc/33/41/48/934334148.db2.gz MQXAGLVDTGYXBC-UHFFFAOYSA-N 1 0 382.430 3.771 20 30 GHEDRO N#CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001119723144 934385580 /nfs/dbraw/zinc/38/55/80/934385580.db2.gz NYYCUDOFOBQASM-APWZRJJASA-N 1 0 378.394 3.516 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001120511657 934469363 /nfs/dbraw/zinc/46/93/63/934469363.db2.gz SDJMMUSXKBRJLI-ZWKOTPCHSA-N 1 0 391.556 3.591 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000931280601 934478752 /nfs/dbraw/zinc/47/87/52/934478752.db2.gz GXCLRBCMVVWKDB-CQSZACIVSA-N 1 0 396.413 3.652 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000561902700 934548184 /nfs/dbraw/zinc/54/81/84/934548184.db2.gz WTFMKZDBHHBQHH-HNNXBMFYSA-N 1 0 389.421 3.756 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@@H]1C(F)(F)F ZINC000931614362 934644527 /nfs/dbraw/zinc/64/45/27/934644527.db2.gz ZBCAHKCXFYWWIA-CKUJCDMFSA-N 1 0 389.462 3.951 20 30 GHEDRO C=CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC(=C)CC1 ZINC001121474287 934666893 /nfs/dbraw/zinc/66/68/93/934666893.db2.gz QOFIYQSTDPRNFC-UHFFFAOYSA-N 1 0 378.524 3.708 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001121589897 934708996 /nfs/dbraw/zinc/70/89/96/934708996.db2.gz JVOPTSTYWGRMOI-SZMVWBNQSA-N 1 0 391.510 3.820 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2c2ccccc2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001121592721 934709502 /nfs/dbraw/zinc/70/95/02/934709502.db2.gz UTWQENBGLZWBDZ-LILSUDLASA-N 1 0 391.563 3.902 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001121595045 934710565 /nfs/dbraw/zinc/71/05/65/934710565.db2.gz HPVUNBRSBGKLIV-GIVPXCGWSA-N 1 0 399.583 3.939 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC(C)C)C(C)C ZINC001121628495 934719613 /nfs/dbraw/zinc/71/96/13/934719613.db2.gz CTULCZQVFBOINH-IBGZPJMESA-N 1 0 375.561 3.651 20 30 GHEDRO C=CCn1c([C@@H](C)SC)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001121656388 934728682 /nfs/dbraw/zinc/72/86/82/934728682.db2.gz QLJGNMDZLGPALL-CYBMUJFWSA-N 1 0 391.507 3.741 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121694281 934741836 /nfs/dbraw/zinc/74/18/36/934741836.db2.gz YLKPLMLIJMJHKZ-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000931855614 934748492 /nfs/dbraw/zinc/74/84/92/934748492.db2.gz TUORPBNVWJGXRN-OAQYLSRUSA-N 1 0 377.529 3.562 20 30 GHEDRO CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001121849165 934778204 /nfs/dbraw/zinc/77/82/04/934778204.db2.gz XKLSMTGCANRZRO-ICSRJNTNSA-N 1 0 379.589 3.561 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC(CC#N)CC1 ZINC001121952966 934791669 /nfs/dbraw/zinc/79/16/69/934791669.db2.gz OFYVJTFYSWQMGC-UHFFFAOYSA-N 1 0 393.539 3.516 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccccc1 ZINC000931993690 934793564 /nfs/dbraw/zinc/79/35/64/934793564.db2.gz LGSAGQLFFFFJRE-AUSIDOKSSA-N 1 0 399.535 3.662 20 30 GHEDRO C=C(C)CN(C)c1nnc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1Cc1ccccc1 ZINC001122089156 934819728 /nfs/dbraw/zinc/81/97/28/934819728.db2.gz GQJBSGRIUNABED-NRFANRHFSA-N 1 0 395.551 3.655 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(CCCCC#N)n2Cc2ccccc2)CC1 ZINC001122144269 934831492 /nfs/dbraw/zinc/83/14/92/934831492.db2.gz YQZRKLCQJALGHM-UHFFFAOYSA-N 1 0 394.567 3.873 20 30 GHEDRO CN1CCC[C@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1CCc1ccccc1 ZINC001122188564 934840774 /nfs/dbraw/zinc/84/07/74/934840774.db2.gz ANKVDFMIHQAXCJ-QFIPXVFZSA-N 1 0 398.514 3.679 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@@H](C)CCC ZINC001122374335 934858666 /nfs/dbraw/zinc/85/86/66/934858666.db2.gz MSWRUSOPZCKHRL-HKUYNNGSSA-N 1 0 375.561 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001122466746 934876531 /nfs/dbraw/zinc/87/65/31/934876531.db2.gz SUJUXKMGAPZGHF-HBFSDRIKSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001122536747 934892695 /nfs/dbraw/zinc/89/26/95/934892695.db2.gz LSSWHECKSRAXPS-SJORKVTESA-N 1 0 386.569 3.770 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nnc1[C@@]1(C)CCC=CO1 ZINC001122540875 934894474 /nfs/dbraw/zinc/89/44/74/934894474.db2.gz WQOZRSXNDZXPMI-ZVVDCOBXSA-N 1 0 385.556 3.560 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001122552823 934898263 /nfs/dbraw/zinc/89/82/63/934898263.db2.gz OESSBOUKSIDEFY-SFHVURJKSA-N 1 0 375.561 3.533 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001122588293 934910294 /nfs/dbraw/zinc/91/02/94/934910294.db2.gz WSEPEEQMXQLUCA-HSZRJFAPSA-N 1 0 396.583 3.890 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001122627566 934926130 /nfs/dbraw/zinc/92/61/30/934926130.db2.gz ZKFFVBVFBMDRBX-DLBZAZTESA-N 1 0 381.515 3.925 20 30 GHEDRO CC(C)Cn1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C(C)(C)CC#N ZINC001122704387 934956220 /nfs/dbraw/zinc/95/62/20/934956220.db2.gz ZUGZEIKSHSWWEO-IEBWSBKVSA-N 1 0 384.572 3.578 20 30 GHEDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000828342788 935615887 /nfs/dbraw/zinc/61/58/87/935615887.db2.gz PIWRXWIPDVMWLD-UTKZUKDTSA-N 1 0 377.488 3.692 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3Br)C2)C1=O ZINC001137718693 935745110 /nfs/dbraw/zinc/74/51/10/935745110.db2.gz UMTVZTBIUIYAOC-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-n3cccn3)cc1)[C@H]2CC ZINC001137755649 935772727 /nfs/dbraw/zinc/77/27/27/935772727.db2.gz UTQXQJSTOFUGJF-GMAHTHKFSA-N 1 0 378.520 3.794 20 30 GHEDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000829677871 935843999 /nfs/dbraw/zinc/84/39/99/935843999.db2.gz PGGLUCWGSGJCKZ-FFZOFVMBSA-N 1 0 392.503 3.797 20 30 GHEDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000829677872 935844042 /nfs/dbraw/zinc/84/40/42/935844042.db2.gz PGGLUCWGSGJCKZ-LSTHTHJFSA-N 1 0 392.503 3.797 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)cc1 ZINC001137904168 935858068 /nfs/dbraw/zinc/85/80/68/935858068.db2.gz PTSLTFLJMOIHEP-QFIPXVFZSA-N 1 0 385.471 3.769 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNc1nc(C(C)(C)C)ccc1-c1nn[nH]n1)C(C)C ZINC001573341358 947531424 /nfs/dbraw/zinc/53/14/24/947531424.db2.gz LUOFPUFQKYKFFG-QGZVFWFLSA-N 1 0 383.544 3.670 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CCOc3ccccc3C#N)C[C@H]1CCCC2 ZINC001460978368 1069311882 /nfs/dbraw/zinc/31/18/82/1069311882.db2.gz UPHPPLSFVSMEPE-AUSIDOKSSA-N 1 0 399.535 3.954 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000468148174 1015334265 /nfs/dbraw/zinc/33/42/65/1015334265.db2.gz UJRMHKBNGKLTQE-QFIPXVFZSA-N 1 0 393.556 3.962 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000545296146 1015750884 /nfs/dbraw/zinc/75/08/84/1015750884.db2.gz SIPQXQBABQSHDH-FXAWDEMLSA-N 1 0 392.503 3.989 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000545385748 1015830153 /nfs/dbraw/zinc/83/01/53/1015830153.db2.gz NWFCSCWRAMJIJM-QUCCMNQESA-N 1 0 389.565 3.558 20 30 GHEDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000545397720 1015840590 /nfs/dbraw/zinc/84/05/90/1015840590.db2.gz KKECTJIIBVBVQP-FXAWDEMLSA-N 1 0 394.519 3.692 20 30 GHEDRO CCN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545476421 1015915168 /nfs/dbraw/zinc/91/51/68/1015915168.db2.gz FHWLRWGYVUNDHX-FQEVSTJZSA-N 1 0 379.529 3.773 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000557647837 1017027187 /nfs/dbraw/zinc/02/71/87/1017027187.db2.gz ZVPYDLVOFWLJDM-UHFFFAOYSA-N 1 0 397.404 3.669 20 30 GHEDRO COc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1OCCCC#N ZINC000557866035 1017063576 /nfs/dbraw/zinc/06/35/76/1017063576.db2.gz DKEVMUPOVUZYAO-SFHVURJKSA-N 1 0 382.460 3.697 20 30 GHEDRO CCc1cc(C(=O)NCC2(Cc3ccc(F)cc3)CC[NH2+]CC2)ccc1C#N ZINC001220980584 1032221298 /nfs/dbraw/zinc/22/12/98/1032221298.db2.gz JXQXKDFHHPRPAB-UHFFFAOYSA-N 1 0 379.479 3.602 20 30 GHEDRO O=C(/C=C/C(=O)c1ccccc1)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221202293 1032328617 /nfs/dbraw/zinc/32/86/17/1032328617.db2.gz XBODLMGGTOUEAW-RQWLHQTBSA-N 1 0 380.463 3.812 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC001221359960 1032385393 /nfs/dbraw/zinc/38/53/93/1032385393.db2.gz BXZQGQFMKACFKD-TXTKFYIRSA-N 1 0 389.499 3.941 20 30 GHEDRO CCc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)cc1 ZINC001204177190 1032628268 /nfs/dbraw/zinc/62/82/68/1032628268.db2.gz YODCGYPEOFERDV-XMMPIXPASA-N 1 0 390.531 3.635 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(C(F)(F)F)c(Cl)c3)CC2)C1=O ZINC001276446518 1032638910 /nfs/dbraw/zinc/63/89/10/1032638910.db2.gz ZPCIJABGMLLDIZ-UHFFFAOYSA-N 1 0 384.829 3.807 20 30 GHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000558661111 1017257917 /nfs/dbraw/zinc/25/79/17/1017257917.db2.gz XOFDJQMJWYQJKD-UHFFFAOYSA-N 1 0 398.511 3.596 20 30 GHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 ZINC000927008232 1017339594 /nfs/dbraw/zinc/33/95/94/1017339594.db2.gz MEMLVERDFYEWKJ-ULQDDVLXSA-N 1 0 380.529 3.510 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000561267615 1017827616 /nfs/dbraw/zinc/82/76/16/1017827616.db2.gz IAQUHZAXPGBWPS-UHFFFAOYSA-N 1 0 386.565 3.891 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC001204299775 1032738116 /nfs/dbraw/zinc/73/81/16/1032738116.db2.gz FFADKZBBIZIVLS-SMIHKQSGSA-N 1 0 393.531 3.510 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)COCCN(c2nccs2)C3)cc1 ZINC001204300201 1032740546 /nfs/dbraw/zinc/74/05/46/1032740546.db2.gz KKQOXUVZDGQJKW-UHFFFAOYSA-N 1 0 399.560 3.827 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)cc1 ZINC001204300211 1032740929 /nfs/dbraw/zinc/74/09/29/1032740929.db2.gz KPIXARHGBKQGNH-VABKMULXSA-N 1 0 391.515 3.793 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC[C@@H](C(=O)N4CCCC4)OC3)CC2)cc1 ZINC001204301008 1032743027 /nfs/dbraw/zinc/74/30/27/1032743027.db2.gz ZDZHBXPVJHUNGI-QFIPXVFZSA-N 1 0 398.547 3.635 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)cc1 ZINC001204299710 1032739307 /nfs/dbraw/zinc/73/93/07/1032739307.db2.gz FCSRRBMNSHYSMH-JOCHJYFZSA-N 1 0 376.500 3.747 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)cc1 ZINC001204299751 1032739491 /nfs/dbraw/zinc/73/94/91/1032739491.db2.gz FUZZQLHAMFUFCP-ZLNRFVROSA-N 1 0 382.504 3.708 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 ZINC001204300738 1032743262 /nfs/dbraw/zinc/74/32/62/1032743262.db2.gz JKJAEPLDLVMOAR-UHFFFAOYSA-N 1 0 392.499 3.649 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000932235740 1018152852 /nfs/dbraw/zinc/15/28/52/1018152852.db2.gz UZEZURVXJANZCY-NVXWUHKLSA-N 1 0 382.430 3.535 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c2ccccc21 ZINC000562548471 1018302527 /nfs/dbraw/zinc/30/25/27/1018302527.db2.gz ZHICSNXYAYSWQN-QIJUGHKUSA-N 1 0 379.504 3.753 20 30 GHEDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(CCC#N)cc2)[NH+](C)C)cc1 ZINC000932557831 1018454348 /nfs/dbraw/zinc/45/43/48/1018454348.db2.gz UFHMPHOJXWDUSN-NRFANRHFSA-N 1 0 379.508 3.633 20 30 GHEDRO N#CC1(NC(=O)/C=C\Sc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000778110124 1018587973 /nfs/dbraw/zinc/58/79/73/1018587973.db2.gz HFPSOPPFYXFVKS-WJDWOHSUSA-N 1 0 377.513 3.967 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000562887196 1018757429 /nfs/dbraw/zinc/75/74/29/1018757429.db2.gz XALLEYVOOLPSBB-XXBNENTESA-N 1 0 388.515 3.919 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944661 1018775023 /nfs/dbraw/zinc/77/50/23/1018775023.db2.gz ZWDZVKBGDVSAMI-UTUOFQBUSA-N 1 0 394.350 3.964 20 30 GHEDRO CC1CC[NH+](CCN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000932951073 1018781880 /nfs/dbraw/zinc/78/18/80/1018781880.db2.gz UGPPTKKZCKAZMS-RYUDHWBXSA-N 1 0 394.350 3.821 20 30 GHEDRO Cc1cc(N2CCC([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)CC2)nc(C)n1 ZINC000562904774 1018784789 /nfs/dbraw/zinc/78/47/89/1018784789.db2.gz MEWSXOIVUMWLCT-UHFFFAOYSA-N 1 0 389.425 3.743 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)cc1C ZINC001204351905 1032788749 /nfs/dbraw/zinc/78/87/49/1032788749.db2.gz MQXZZPJEXVBTKA-XMMPIXPASA-N 1 0 390.531 3.689 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000564820106 1019116688 /nfs/dbraw/zinc/11/66/88/1019116688.db2.gz CMMMEGTVTZDGBM-UHFFFAOYSA-N 1 0 385.467 3.571 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001204370846 1032813503 /nfs/dbraw/zinc/81/35/03/1032813503.db2.gz OBCLEKOUIICDDV-LADGPHEKSA-N 1 0 389.499 3.502 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc(OC)c1O ZINC000567429578 1019295042 /nfs/dbraw/zinc/29/50/42/1019295042.db2.gz UENREDLLTNVLPA-HSZRJFAPSA-N 1 0 385.479 3.696 20 30 GHEDRO N#Cc1nc(N2CCN(c3cc[nH+]c4ccccc43)CC2)ccc1C(F)(F)F ZINC000568018983 1019367715 /nfs/dbraw/zinc/36/77/15/1019367715.db2.gz LZQWZGZVHAWYGN-UHFFFAOYSA-N 1 0 383.377 3.847 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000568989474 1019457039 /nfs/dbraw/zinc/45/70/39/1019457039.db2.gz NEPRSRVVIABRIZ-FCHUYYIVSA-N 1 0 398.514 3.547 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000569691367 1019503263 /nfs/dbraw/zinc/50/32/63/1019503263.db2.gz HAAHOZGLUSMMJA-IBGZPJMESA-N 1 0 376.504 3.720 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC001204418805 1032848794 /nfs/dbraw/zinc/84/87/94/1032848794.db2.gz KDYGQGGGOLIKLS-FQEVSTJZSA-N 1 0 380.435 3.899 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000572889889 1019811679 /nfs/dbraw/zinc/81/16/79/1019811679.db2.gz GBTVRDAHQXWRFB-IRXDYDNUSA-N 1 0 376.508 3.598 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000576445139 1020013846 /nfs/dbraw/zinc/01/38/46/1020013846.db2.gz VOUJUFKOAOKOKI-INIZCTEOSA-N 1 0 379.464 3.599 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000577453799 1020192526 /nfs/dbraw/zinc/19/25/26/1020192526.db2.gz ZXENOYJLSGSMBD-AKFKNWHVSA-N 1 0 378.516 3.883 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000600684546 1020212093 /nfs/dbraw/zinc/21/20/93/1020212093.db2.gz WOWDENCJCZKFFD-UHFFFAOYSA-N 1 0 397.544 3.798 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)cc1OC ZINC000628281747 1020687551 /nfs/dbraw/zinc/68/75/51/1020687551.db2.gz SYWTXFPWBUEICR-MRXNPFEDSA-N 1 0 380.916 3.652 20 30 GHEDRO CSc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F ZINC000190608369 1020707230 /nfs/dbraw/zinc/70/72/30/1020707230.db2.gz AJXACDLWGJUMPW-KUHUBIRLSA-N 1 0 383.492 3.871 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000245540861 1021014185 /nfs/dbraw/zinc/01/41/85/1021014185.db2.gz NDGPQSRZVXXHPB-RFVSGWPVSA-N 1 0 383.879 3.692 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccnc(O[C@@H](C)CC(C)C)c2)c1 ZINC000304747401 1021153681 /nfs/dbraw/zinc/15/36/81/1021153681.db2.gz GJUXBIHAXKMHBL-HNNXBMFYSA-N 1 0 386.496 3.839 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140288423 1021322077 /nfs/dbraw/zinc/32/20/77/1021322077.db2.gz NGWKLZRDUFKEKL-UHFFFAOYSA-N 1 0 393.506 3.844 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCc3ccccc3OC2)ccc1Cl ZINC000801572975 1021412583 /nfs/dbraw/zinc/41/25/83/1021412583.db2.gz KICLMZWLKGGTFD-GOSISDBHSA-N 1 0 397.906 3.879 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834768713 1021455392 /nfs/dbraw/zinc/45/53/92/1021455392.db2.gz XOWLORNSWHRTLE-LFDOHDQPSA-N 1 0 399.963 3.546 20 30 GHEDRO Cc1c(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cnn1CCC#N ZINC000903293524 1021589241 /nfs/dbraw/zinc/58/92/41/1021589241.db2.gz KTTJOZCZHZTLQT-UHFFFAOYSA-N 1 0 376.464 3.808 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)CC2)c1 ZINC001140412805 1021609457 /nfs/dbraw/zinc/60/94/57/1021609457.db2.gz GRSCDDFQGYIZGM-UHFFFAOYSA-N 1 0 389.890 3.991 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001140441238 1021716184 /nfs/dbraw/zinc/71/61/84/1021716184.db2.gz LYRHWYUDORDCJC-OXQOHEQNSA-N 1 0 381.476 3.907 20 30 GHEDRO c1cn(-c2ccc(N=NC3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)nn2)cn1 ZINC000834975058 1021747183 /nfs/dbraw/zinc/74/71/83/1021747183.db2.gz WKJAJEDONNOSLM-UYAOXDASSA-N 1 0 387.491 3.505 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3CCC[C@H](CC#N)C3)cc2)CC1 ZINC001140481501 1021783705 /nfs/dbraw/zinc/78/37/05/1021783705.db2.gz UMYMYTZOYVNBOW-LJQANCHMSA-N 1 0 398.551 3.869 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](Cc3ccc(C#N)nc3)C2)C1 ZINC001140541553 1021940512 /nfs/dbraw/zinc/94/05/12/1021940512.db2.gz LEAHGCLZFZDCNL-OALUTQOASA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cn1 ZINC001140543031 1021943478 /nfs/dbraw/zinc/94/34/78/1021943478.db2.gz JLJYDOWNLAUDAO-JOCHJYFZSA-N 1 0 386.499 3.529 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)[C@H]2CC ZINC001140625876 1022104904 /nfs/dbraw/zinc/10/49/04/1022104904.db2.gz LJYPLEVBALEVCZ-RXVVDRJESA-N 1 0 394.462 3.915 20 30 GHEDRO C=CCC[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000681649170 1022317792 /nfs/dbraw/zinc/31/77/92/1022317792.db2.gz GRGWWMDIZQCTQI-OAQYLSRUSA-N 1 0 379.504 3.667 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3ncn(C)c3c1)CC2 ZINC001140735695 1022392243 /nfs/dbraw/zinc/39/22/43/1022392243.db2.gz YVVWSRUOHTWSJG-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3c(C#N)cnnc3-c3ccccc3)cc2)CC1 ZINC001204740971 1033058614 /nfs/dbraw/zinc/05/86/14/1033058614.db2.gz QTHZDZOSAXERQM-UHFFFAOYSA-N 1 0 384.487 3.506 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754381111 1022654342 /nfs/dbraw/zinc/65/43/42/1022654342.db2.gz ASTVQPWLROXZAY-CABCVRRESA-N 1 0 389.546 3.794 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(N(CC)CC)cc1O)C2 ZINC001140852980 1022701719 /nfs/dbraw/zinc/70/17/19/1022701719.db2.gz HQAQLJTXIOUGMX-PKTZIBPZSA-N 1 0 388.552 3.812 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2cccc(OCC#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000836291206 1022830637 /nfs/dbraw/zinc/83/06/37/1022830637.db2.gz PVFVAKOURSNGRC-GOSISDBHSA-N 1 0 378.476 3.575 20 30 GHEDRO CCOc1ccc(/C=N/[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c(O)c1 ZINC000755031712 1023033153 /nfs/dbraw/zinc/03/31/53/1023033153.db2.gz MLRGPWQGULHWOU-ZMPUUUETSA-N 1 0 384.476 3.502 20 30 GHEDRO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]N(Cc1ccccc1)c1ccccc1 ZINC000755466101 1023260274 /nfs/dbraw/zinc/26/02/74/1023260274.db2.gz UQPBSULYYSDYIE-UHFFFAOYSA-N 1 0 389.503 3.606 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000755984818 1023467784 /nfs/dbraw/zinc/46/77/84/1023467784.db2.gz VETPWTMUFMAEQP-YADHBBJMSA-N 1 0 377.488 3.865 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccccc2SCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000836920278 1023468707 /nfs/dbraw/zinc/46/87/07/1023468707.db2.gz PXYPWWUXZBQLGC-SFHVURJKSA-N 1 0 379.529 3.896 20 30 GHEDRO Cn1ccnc1[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000756069768 1023508490 /nfs/dbraw/zinc/50/84/90/1023508490.db2.gz GEVOHKOASIGPPC-KRWDZBQOSA-N 1 0 391.500 3.719 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1)C(=O)OC(C)(C)C ZINC001141108920 1023521648 /nfs/dbraw/zinc/52/16/48/1023521648.db2.gz IWHTVVHRICSFSA-LBPRGKRZSA-N 1 0 398.960 3.934 20 30 GHEDRO CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141113668 1023530148 /nfs/dbraw/zinc/53/01/48/1023530148.db2.gz NWWOKOKGUQAIKS-GFCCVEGCSA-N 1 0 398.960 3.934 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(F)(F)c1c(F)cccc1F ZINC000756931616 1023873097 /nfs/dbraw/zinc/87/30/97/1023873097.db2.gz VHXMCFIPMNGWOX-UHFFFAOYSA-N 1 0 393.384 3.519 20 30 GHEDRO C#CC[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000757002926 1023905415 /nfs/dbraw/zinc/90/54/15/1023905415.db2.gz CIMPKCRSBUPCJB-HSZRJFAPSA-N 1 0 375.516 3.757 20 30 GHEDRO C#CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000757065013 1023925717 /nfs/dbraw/zinc/92/57/17/1023925717.db2.gz PVEQYUHCDRJNHZ-HSZRJFAPSA-N 1 0 391.515 3.677 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CCO[C@@H](C[NH+]4CCCC4)C3)cc2)cc1 ZINC001141297825 1024442325 /nfs/dbraw/zinc/44/23/25/1024442325.db2.gz BZHULDMRVPDEPO-QHCPKHFHSA-N 1 0 377.488 3.647 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1OC ZINC001138346928 1024708652 /nfs/dbraw/zinc/70/86/52/1024708652.db2.gz QEGWWWUMGGIPQV-GOSISDBHSA-N 1 0 388.508 3.539 20 30 GHEDRO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c[nH]c2c1cccc2CC ZINC001138359973 1024723606 /nfs/dbraw/zinc/72/36/06/1024723606.db2.gz CBZQDMHDHRLJSS-FQEVSTJZSA-N 1 0 379.508 3.644 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(F)ccc3OC)CC2)C1 ZINC001138373372 1024737772 /nfs/dbraw/zinc/73/77/72/1024737772.db2.gz SYNDQECDWSCWCU-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO Cc1c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)[nH]c2ccccc12 ZINC001138399499 1024779308 /nfs/dbraw/zinc/77/93/08/1024779308.db2.gz DUPZQRQHGGWSIF-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccncc1NC(=O)C(C)(C)C)C2 ZINC001138454637 1024878215 /nfs/dbraw/zinc/87/82/15/1024878215.db2.gz WSOGWLYCMTWJDF-QHCPKHFHSA-N 1 0 398.551 3.599 20 30 GHEDRO CC(C)(C)C(=O)Nc1cnccc1CN1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001138456558 1024881410 /nfs/dbraw/zinc/88/14/10/1024881410.db2.gz VGGHEBCIPTUBKG-LJQANCHMSA-N 1 0 392.503 3.981 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-n3ccnc3C)cc1)C2 ZINC001138542589 1024984986 /nfs/dbraw/zinc/98/49/86/1024984986.db2.gz GCPFCBPWPCLUOZ-XZOQPEGZSA-N 1 0 381.520 3.754 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC001138558381 1025019744 /nfs/dbraw/zinc/01/97/44/1025019744.db2.gz STEKICSIJVAKHR-JOCHJYFZSA-N 1 0 380.513 3.779 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138620011 1025114058 /nfs/dbraw/zinc/11/40/58/1025114058.db2.gz PBOANWAWUHRJLJ-GGAORHGYSA-N 1 0 395.503 3.843 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)c1O ZINC001138626966 1025125590 /nfs/dbraw/zinc/12/55/90/1025125590.db2.gz USPXGNZOODCEBB-UHFFFAOYSA-N 1 0 391.515 3.530 20 30 GHEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001138661010 1025180442 /nfs/dbraw/zinc/18/04/42/1025180442.db2.gz LGZAOMVRRTUROZ-NTKDMRAZSA-N 1 0 391.515 3.912 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001138664315 1025185928 /nfs/dbraw/zinc/18/59/28/1025185928.db2.gz MULQCUGVQTVNHC-GGAORHGYSA-N 1 0 380.488 3.849 20 30 GHEDRO C#CC[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000838530346 1025195082 /nfs/dbraw/zinc/19/50/82/1025195082.db2.gz YRULARNWISAAAW-GOSISDBHSA-N 1 0 381.442 3.809 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138718795 1025243262 /nfs/dbraw/zinc/24/32/62/1025243262.db2.gz MIKNMFZKRREBED-UHFFFAOYSA-N 1 0 378.472 3.935 20 30 GHEDRO C#Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000838641170 1025258416 /nfs/dbraw/zinc/25/84/16/1025258416.db2.gz GUDRLXSHIBJVNO-CVDCTZTESA-N 1 0 375.516 3.862 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000832239193 1025365402 /nfs/dbraw/zinc/36/54/02/1025365402.db2.gz ZAPUBLQEWUAIDQ-UHFFFAOYSA-N 1 0 383.536 3.974 20 30 GHEDRO CC(C)(C)OC(=O)NCC1(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000838819928 1025386767 /nfs/dbraw/zinc/38/67/67/1025386767.db2.gz PSXOVAVBCHQXDR-UHFFFAOYSA-N 1 0 385.508 3.706 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1-n1nc(C[NH3+])c2ccccc21 ZINC001156865151 1033288413 /nfs/dbraw/zinc/28/84/13/1033288413.db2.gz RDDDTSIKVICGIN-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO C[C@@H]1C[C@H](OC(=O)Cc2cccc(OCC#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC000839092224 1025590765 /nfs/dbraw/zinc/59/07/65/1025590765.db2.gz YUXXXMUXHBDTTM-GCJKJVERSA-N 1 0 378.472 3.585 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OCC)cc1OCC)C2 ZINC001138977940 1025705205 /nfs/dbraw/zinc/70/52/05/1025705205.db2.gz IOPGBMKNEGIQGG-UNMCSNQZSA-N 1 0 375.509 3.810 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202139 1025720235 /nfs/dbraw/zinc/72/02/35/1025720235.db2.gz CUSGEWNWKSMSQA-UHFFFAOYSA-N 1 0 387.867 3.537 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001139028218 1025795160 /nfs/dbraw/zinc/79/51/60/1025795160.db2.gz PWHNDPZYFGYFOL-RPWUZVMVSA-N 1 0 392.543 3.769 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@@H]1CC ZINC001139028394 1025796563 /nfs/dbraw/zinc/79/65/63/1025796563.db2.gz SFQROGQUKRMOIH-GMAHTHKFSA-N 1 0 386.536 3.633 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001139030286 1025798897 /nfs/dbraw/zinc/79/88/97/1025798897.db2.gz IHTYFYHWOXUMJO-UHFFFAOYSA-N 1 0 382.504 3.599 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2c(Br)cccc2C#N)CC1 ZINC001162855918 1025942415 /nfs/dbraw/zinc/94/24/15/1025942415.db2.gz NKFSTRWURFTVMF-UHFFFAOYSA-N 1 0 394.357 3.896 20 30 GHEDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000839539374 1026028962 /nfs/dbraw/zinc/02/89/62/1026028962.db2.gz LLOLZMFDCYQYGO-GFCCVEGCSA-N 1 0 385.489 3.502 20 30 GHEDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000839539375 1026029342 /nfs/dbraw/zinc/02/93/42/1026029342.db2.gz LLOLZMFDCYQYGO-LBPRGKRZSA-N 1 0 385.489 3.502 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC001141654619 1026090858 /nfs/dbraw/zinc/09/08/58/1026090858.db2.gz FYOUELISGKBYNG-UHFFFAOYSA-N 1 0 388.284 3.778 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(Oc4ccccc4)nc3)CC2)nc1 ZINC001139246461 1026096269 /nfs/dbraw/zinc/09/62/69/1026096269.db2.gz BXWFOOSOEZMKQF-UHFFFAOYSA-N 1 0 385.471 3.853 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1 ZINC001141660679 1026153360 /nfs/dbraw/zinc/15/33/60/1026153360.db2.gz HZVWPYFARVIRHJ-OALUTQOASA-N 1 0 382.305 3.779 20 30 GHEDRO COc1cccc(Oc2cncc(NC(C)=NCc3cccc(C[NH3+])c3)n2)c1 ZINC001163471803 1026207018 /nfs/dbraw/zinc/20/70/18/1026207018.db2.gz IKRODSFFGACUSG-UHFFFAOYSA-N 1 0 377.448 3.767 20 30 GHEDRO CCOc1cc2ncnc(NC(C)=NCc3cccc(C[NH3+])c3)c2cc1OCC ZINC001163472323 1026207284 /nfs/dbraw/zinc/20/72/84/1026207284.db2.gz YKHIEEVIOBXUBJ-UHFFFAOYSA-N 1 0 393.491 3.916 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(OC)c1 ZINC001139362162 1026236232 /nfs/dbraw/zinc/23/62/32/1026236232.db2.gz VMAPSJQDMIUXQR-FQEVSTJZSA-N 1 0 386.536 3.716 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139407179 1026280238 /nfs/dbraw/zinc/28/02/38/1026280238.db2.gz SQZVSSFELIKQDC-LJQANCHMSA-N 1 0 392.503 3.967 20 30 GHEDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139423418 1026293227 /nfs/dbraw/zinc/29/32/27/1026293227.db2.gz HPHHNHPCDGOGPV-GMAHTHKFSA-N 1 0 393.487 3.763 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001139501878 1026358893 /nfs/dbraw/zinc/35/88/93/1026358893.db2.gz DTAIBSGTRSVACD-UHFFFAOYSA-N 1 0 382.577 3.602 20 30 GHEDRO C[NH+](C)Cc1cccc(CNc2nc3cc(C#N)c(C#N)cc3nc2Cl)c1 ZINC001163993121 1026379223 /nfs/dbraw/zinc/37/92/23/1026379223.db2.gz GGGBJPGBRNOMKY-UHFFFAOYSA-N 1 0 376.851 3.700 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1 ZINC001139649183 1026511335 /nfs/dbraw/zinc/51/13/35/1026511335.db2.gz QTGWVKASPVENKN-NRFANRHFSA-N 1 0 385.389 3.605 20 30 GHEDRO CCc1nnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C#N)c1CC ZINC001164493919 1026531838 /nfs/dbraw/zinc/53/18/38/1026531838.db2.gz ZVTVMEOSGJQNEG-UCNVEGJOSA-N 1 0 375.520 3.796 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@@]4(CCN(c5ccsc5)C4=O)C3)c[nH]c21 ZINC001139702146 1026547715 /nfs/dbraw/zinc/54/77/15/1026547715.db2.gz XVYTTZJHZNOVNT-OAQYLSRUSA-N 1 0 376.485 3.730 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)cc1C#N ZINC001139724212 1026567731 /nfs/dbraw/zinc/56/77/31/1026567731.db2.gz NQHPMJUZGQUXEJ-DNQXCXABSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1C#N ZINC001139724823 1026567976 /nfs/dbraw/zinc/56/79/76/1026567976.db2.gz RCTLXYVHUPGVCR-QHCPKHFHSA-N 1 0 377.463 3.630 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)cc1C#N ZINC001139725702 1026570583 /nfs/dbraw/zinc/57/05/83/1026570583.db2.gz YEMGSZOUCAORFH-ZEQRLZLVSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1ccc(C[NH+]2CC(c3ncn4cc(Br)ccc34)C2)cc1C#N ZINC001139725747 1026570600 /nfs/dbraw/zinc/57/06/00/1026570600.db2.gz AJZVIDQQIIEMLS-UHFFFAOYSA-N 1 0 381.277 3.876 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)cn1 ZINC001139769671 1026604597 /nfs/dbraw/zinc/60/45/97/1026604597.db2.gz MYAQPRLOKAAEPP-UHFFFAOYSA-N 1 0 399.502 3.553 20 30 GHEDRO CC1([NH+]2CCOCC2)CCN(c2nc3cc(F)ccc3c(Cl)c2C#N)CC1 ZINC001165137994 1026630302 /nfs/dbraw/zinc/63/03/02/1026630302.db2.gz ZWUHAWUMBLWCBW-UHFFFAOYSA-N 1 0 388.874 3.590 20 30 GHEDRO C[NH+]1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@H]2C1 ZINC001165147727 1026634388 /nfs/dbraw/zinc/63/43/88/1026634388.db2.gz GDYLZXQZZSDAIR-HZPDHXFCSA-N 1 0 388.849 3.816 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(COC)s1)CC2 ZINC001139824528 1026645518 /nfs/dbraw/zinc/64/55/18/1026645518.db2.gz ZALJHXVQZFYQBY-UHFFFAOYSA-N 1 0 378.538 3.895 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N(Cc1cccnc1)C1CCC([NH3+])CC1 ZINC001165197400 1026658703 /nfs/dbraw/zinc/65/87/03/1026658703.db2.gz MLXGDRYWCFQAGC-UHFFFAOYSA-N 1 0 391.853 3.823 20 30 GHEDRO CC(=O)N1CC2(CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)c2cc(C)ccc21 ZINC001139875011 1026692266 /nfs/dbraw/zinc/69/22/66/1026692266.db2.gz RBYSFOIJFKEENP-UHFFFAOYSA-N 1 0 377.463 3.906 20 30 GHEDRO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001139876719 1026693076 /nfs/dbraw/zinc/69/30/76/1026693076.db2.gz KKIGXFSBPCZRRD-QHCPKHFHSA-N 1 0 397.469 3.955 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001165351802 1026710894 /nfs/dbraw/zinc/71/08/94/1026710894.db2.gz KIKKFQCBNNTRCU-PKOBYXMFSA-N 1 0 378.838 3.975 20 30 GHEDRO CC(C)N(c1nc2ccccc2c(Cl)c1C#N)c1ncnc2c1CC[NH2+]CC2 ZINC001165510614 1026749092 /nfs/dbraw/zinc/74/90/92/1026749092.db2.gz NCHKWQIQSSQUNW-UHFFFAOYSA-N 1 0 392.894 3.785 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(O)ccc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140046645 1026829628 /nfs/dbraw/zinc/82/96/28/1026829628.db2.gz LLEUKVYYPPMACX-OFNKIYASSA-N 1 0 380.463 3.535 20 30 GHEDRO COc1c(Cl)cccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001140060769 1026839195 /nfs/dbraw/zinc/83/91/95/1026839195.db2.gz MEYDZQFNQDKHLN-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2c2ccccc2)C1=O ZINC001140062715 1026841711 /nfs/dbraw/zinc/84/17/11/1026841711.db2.gz FBAUKJVYYQISMB-OFNKIYASSA-N 1 0 380.463 3.535 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)C1=O ZINC001140114103 1026896192 /nfs/dbraw/zinc/89/61/92/1026896192.db2.gz OYQFGJOYYGENIR-JOCHJYFZSA-N 1 0 398.510 3.878 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c(F)c1 ZINC001140136452 1026909312 /nfs/dbraw/zinc/90/93/12/1026909312.db2.gz BBUIDDUNGMNDCV-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)c(F)c1 ZINC001140137009 1026910223 /nfs/dbraw/zinc/91/02/23/1026910223.db2.gz WNQQKCMQTPVTJS-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO Cc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c(C)cc1O ZINC001140203095 1026977273 /nfs/dbraw/zinc/97/72/73/1026977273.db2.gz IGFWUVPCCFCHGF-UHFFFAOYSA-N 1 0 378.476 3.667 20 30 GHEDRO N#Cc1cc2nc(N3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)ccc2[nH]1 ZINC001166496698 1027014786 /nfs/dbraw/zinc/01/47/86/1027014786.db2.gz NUJOTBLAQPDLMN-UHFFFAOYSA-N 1 0 380.411 3.946 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)cc21 ZINC001209773403 1027178038 /nfs/dbraw/zinc/17/80/38/1027178038.db2.gz FTNLSOAQZNRKMK-HXUWFJFHSA-N 1 0 375.476 3.618 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[N@@H+](C)C[C@@H]2CC)c1=S ZINC000840093394 1027181669 /nfs/dbraw/zinc/18/16/69/1027181669.db2.gz KKQGCLNXWHGVCO-KRWDZBQOSA-N 1 0 391.972 3.904 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1-n1cc2c(cccc2N2CC[NH2+]CC2)n1 ZINC001166990796 1027181561 /nfs/dbraw/zinc/18/15/61/1027181561.db2.gz AGBMCVYLSKAPFA-UHFFFAOYSA-N 1 0 398.445 3.508 20 30 GHEDRO C[C@H]1[C@H](NC(=O)c2ccc(Br)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001141775096 1027211014 /nfs/dbraw/zinc/21/10/14/1027211014.db2.gz IWOAYWTYIIMNAO-IFXJQAMLSA-N 1 0 398.304 3.714 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)cc1OC ZINC001203422516 1027327334 /nfs/dbraw/zinc/32/73/34/1027327334.db2.gz XTACKPQHDTZUNT-NRFANRHFSA-N 1 0 375.896 3.997 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)cc1OC ZINC001203422517 1027328221 /nfs/dbraw/zinc/32/82/21/1027328221.db2.gz XTACKPQHDTZUNT-OAQYLSRUSA-N 1 0 375.896 3.997 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(Nc3cncc(C#N)c3)cc2C(F)(F)F)CC1 ZINC001210089025 1027337615 /nfs/dbraw/zinc/33/76/15/1027337615.db2.gz GVRXGRIMUGQINU-UHFFFAOYSA-N 1 0 389.425 3.853 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC001203628348 1027487802 /nfs/dbraw/zinc/48/78/02/1027487802.db2.gz NXKAEQZGCHAEGW-KRWDZBQOSA-N 1 0 383.458 3.842 20 30 GHEDRO N#Cc1cccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001203761886 1027583119 /nfs/dbraw/zinc/58/31/19/1027583119.db2.gz GGFOJRYBSVNEKX-RPWUZVMVSA-N 1 0 379.548 3.519 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)c1 ZINC001203762439 1027583722 /nfs/dbraw/zinc/58/37/22/1027583722.db2.gz QYOXTYIGQRAZPG-FQEVSTJZSA-N 1 0 386.421 3.830 20 30 GHEDRO COc1c(Br)ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)c1C#N ZINC001210758783 1027640641 /nfs/dbraw/zinc/64/06/41/1027640641.db2.gz XPSIPBNXISTUMG-UHFFFAOYSA-N 1 0 390.285 3.536 20 30 GHEDRO CSc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141932095 1027691229 /nfs/dbraw/zinc/69/12/29/1027691229.db2.gz SKPSFMCSMNVJGK-MRXNPFEDSA-N 1 0 376.526 3.506 20 30 GHEDRO CC[N@H+](Cc1ccc(C#N)c(SC)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141944131 1027723540 /nfs/dbraw/zinc/72/35/40/1027723540.db2.gz YXONRKNFLUFFGM-QGZVFWFLSA-N 1 0 390.553 3.897 20 30 GHEDRO CCN1CCC2(CC[NH+](Cc3ccc(C#Cc4ccccc4)s3)CC2)C1=O ZINC001141977618 1027792175 /nfs/dbraw/zinc/79/21/75/1027792175.db2.gz JVOOYBSNNXBVFY-UHFFFAOYSA-N 1 0 378.541 3.982 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2ccc(CC#N)cc2I)c1 ZINC001211139939 1027806516 /nfs/dbraw/zinc/80/65/16/1027806516.db2.gz ZRFLDYCFIUDRIV-UHFFFAOYSA-N 1 0 377.229 3.820 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@@H](C2CCOCC2)C1)C(C)C ZINC001211223167 1027843452 /nfs/dbraw/zinc/84/34/52/1027843452.db2.gz RXSXKVHBZQYDLS-YADHBBJMSA-N 1 0 391.600 3.923 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000841087658 1028110208 /nfs/dbraw/zinc/11/02/08/1028110208.db2.gz UXDALEYQVXKYJH-MLGOLLRUSA-N 1 0 390.365 3.731 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1C#N ZINC000841157172 1028226219 /nfs/dbraw/zinc/22/62/19/1028226219.db2.gz XQHHTKYWRIBMBF-DNVCBOLYSA-N 1 0 399.495 3.513 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1C#N ZINC000841157179 1028226610 /nfs/dbraw/zinc/22/66/10/1028226610.db2.gz XQHHTKYWRIBMBF-KXBFYZLASA-N 1 0 399.495 3.513 20 30 GHEDRO Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841182461 1028257348 /nfs/dbraw/zinc/25/73/48/1028257348.db2.gz GWWYQLPHFXAKFD-CXAGYDPISA-N 1 0 395.463 3.644 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001142196157 1028337721 /nfs/dbraw/zinc/33/77/21/1028337721.db2.gz CJVZWLKOLJDNLT-NFBKMPQASA-N 1 0 387.520 3.968 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000841389408 1028555195 /nfs/dbraw/zinc/55/51/95/1028555195.db2.gz ALTTXYWAXLIEAH-INIZCTEOSA-N 1 0 387.524 3.653 20 30 GHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC001461489791 1069574062 /nfs/dbraw/zinc/57/40/62/1069574062.db2.gz AUJJKMXYJFTHLJ-QWHCGFSZSA-N 1 0 377.337 3.606 20 30 GHEDRO C[NH+]1CC(C(=O)Nc2c(C#N)c(-c3cccc4ccccc43)nn2C(C)(C)C)C1 ZINC001142593567 1029124198 /nfs/dbraw/zinc/12/41/98/1029124198.db2.gz IMPYNOOHKRGMQY-UHFFFAOYSA-N 1 0 387.487 3.830 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1C ZINC000842737818 1029546810 /nfs/dbraw/zinc/54/68/10/1029546810.db2.gz QKDWEVYPDOHRTJ-UHFFFAOYSA-N 1 0 398.617 3.751 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CCO[C@@]4(CCCN(c5ccccc5)C4)C3)c[nH]c2c1 ZINC001142916668 1029689746 /nfs/dbraw/zinc/68/97/46/1029689746.db2.gz IJNUAOCVIYSGEV-DEOSSOPVSA-N 1 0 386.499 3.911 20 30 GHEDRO CCOC(=O)c1coc(C2CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)n1 ZINC001142926066 1029701890 /nfs/dbraw/zinc/70/18/90/1029701890.db2.gz IYOCWHPVLXHXNN-UHFFFAOYSA-N 1 0 378.432 3.584 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CCC[C@@H](NC(=O)c4ccccc4F)C3)c[nH]c2c1 ZINC001142926735 1029702255 /nfs/dbraw/zinc/70/22/55/1029702255.db2.gz ZHCNUWCRRAPMFB-QGZVFWFLSA-N 1 0 376.435 3.573 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]21 ZINC001142929734 1029711858 /nfs/dbraw/zinc/71/18/58/1029711858.db2.gz FHSFHJCJNMHHKE-ZYSHUDEJSA-N 1 0 380.492 3.775 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 ZINC001461591914 1069627023 /nfs/dbraw/zinc/62/70/23/1069627023.db2.gz DCVNPXOSLIMHKL-MOPGFXCFSA-N 1 0 386.540 3.818 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc4cccnc4[nH]3)C[C@@H]2c2ccccc2)C1=O ZINC001143213981 1029917157 /nfs/dbraw/zinc/91/71/57/1029917157.db2.gz GRPJFNJSXCZQTC-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001461597316 1069631018 /nfs/dbraw/zinc/63/10/18/1069631018.db2.gz JDJWVJAODZKLKX-HSZRJFAPSA-N 1 0 375.516 3.860 20 30 GHEDRO C#CC[C@@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000843424426 1029996622 /nfs/dbraw/zinc/99/66/22/1029996622.db2.gz UJUTVLQPVHQEOI-GOSISDBHSA-N 1 0 381.545 3.882 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)c(OC)c3)C2)C1=O ZINC001143342978 1030051897 /nfs/dbraw/zinc/05/18/97/1030051897.db2.gz DKHKMVYIWDRAIU-IBGZPJMESA-N 1 0 382.426 3.715 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C12CCC2 ZINC001149205934 1030091506 /nfs/dbraw/zinc/09/15/06/1030091506.db2.gz NGEFZLPRVKKEPX-NHCUHLMSSA-N 1 0 375.472 3.953 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC001217645494 1030569894 /nfs/dbraw/zinc/56/98/94/1030569894.db2.gz BWQDYGQMUBMSIK-HZSPNIEDSA-N 1 0 393.329 3.809 20 30 GHEDRO C#CCN1CCC[C@H](NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001223623729 1030666679 /nfs/dbraw/zinc/66/66/79/1030666679.db2.gz LYKRDKMVFLPDQD-LEWJYISDSA-N 1 0 381.907 3.826 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1CCCC[NH2+]C1 ZINC001217971835 1030697061 /nfs/dbraw/zinc/69/70/61/1030697061.db2.gz LHUHSZVMRLJUPD-GOSISDBHSA-N 1 0 375.472 3.635 20 30 GHEDRO ON=Cc1cc(Br)cc(Br)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217973450 1030699070 /nfs/dbraw/zinc/69/90/70/1030699070.db2.gz JUVUYNIMALAFBV-LLVKDONJSA-N 1 0 392.091 3.541 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001223681673 1030702555 /nfs/dbraw/zinc/70/25/55/1030702555.db2.gz MSRRGJXCYNIWCH-UHFFFAOYSA-N 1 0 390.531 3.928 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001217985797 1030705769 /nfs/dbraw/zinc/70/57/69/1030705769.db2.gz CQIBVMRFWNIZFR-KUSSSXMOSA-N 1 0 379.504 3.697 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[NH2+][C@H](C)C3)c(C#N)c2)nc1C ZINC001218063304 1030751238 /nfs/dbraw/zinc/75/12/38/1030751238.db2.gz YHZYCSARMNQAJD-MLGOLLRUSA-N 1 0 385.489 3.686 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218095777 1030768928 /nfs/dbraw/zinc/76/89/28/1030768928.db2.gz PAIBRJCOGGFKDR-KFNOEDEKSA-N 1 0 379.456 3.905 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)c(C(C)(C)C)cc3O)C2)C1=O ZINC001276923454 1030769525 /nfs/dbraw/zinc/76/95/25/1030769525.db2.gz ZNBQMWNYYULDJE-NRFANRHFSA-N 1 0 376.928 3.954 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c1 ZINC001218111722 1030777390 /nfs/dbraw/zinc/77/73/90/1030777390.db2.gz HXNIPUVTSDVUNX-MBOZVWFJSA-N 1 0 377.440 3.528 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c(O)c1 ZINC001218110817 1030777807 /nfs/dbraw/zinc/77/78/07/1030777807.db2.gz HUYXXDMGLDHCHK-GPMSIDNRSA-N 1 0 377.481 3.744 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3Cc4ccc(C#N)cc4C3)C[C@H]2C1 ZINC001461705571 1069690485 /nfs/dbraw/zinc/69/04/85/1069690485.db2.gz SAXVLOILTKRKCP-ZIBCJSCZSA-N 1 0 381.520 3.651 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3CC[C@@]34CC[NH2+]C4)c3ccccc23)ccc1F ZINC001218120589 1030782900 /nfs/dbraw/zinc/78/29/00/1030782900.db2.gz UJQUJPBKCKFTAM-GMAHTHKFSA-N 1 0 388.446 3.752 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1c(Br)cc(Br)c2ccccc21 ZINC001218201966 1030826011 /nfs/dbraw/zinc/82/60/11/1030826011.db2.gz WQSVLTRRKJOIRX-YMTOWFKASA-N 1 0 396.082 3.855 20 30 GHEDRO CC(C)=CCC/C(C)=C/Cc1cc(O[C@@H]2C[NH2+]C[C@@H]2C#N)cc2c1OC(=O)C2 ZINC001218204407 1030827302 /nfs/dbraw/zinc/82/73/02/1030827302.db2.gz VYFOPBMCPOEIIJ-HWUKHBGBSA-N 1 0 380.488 3.874 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)c2ccc(Br)cc2n1 ZINC001218202559 1030828214 /nfs/dbraw/zinc/82/82/14/1030828214.db2.gz MPTZNJWAWCFCGA-AMIZOPFISA-N 1 0 386.171 3.506 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(OC)c(OC)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001218208482 1030831795 /nfs/dbraw/zinc/83/17/95/1030831795.db2.gz NBPWHVXFEBMFSY-HXUWFJFHSA-N 1 0 393.439 3.774 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)cc2c1C(=O)C[C@@H](c1ccc(OC)cc1)O2 ZINC001218210494 1030832974 /nfs/dbraw/zinc/83/29/74/1030832974.db2.gz DONZQAWVYRXPCN-SIKLNZKXSA-N 1 0 395.455 3.707 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC001223979927 1030836938 /nfs/dbraw/zinc/83/69/38/1030836938.db2.gz DKYPGXGIFIRGKR-ZJOUEHCJSA-N 1 0 383.536 3.713 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218324202 1030892687 /nfs/dbraw/zinc/89/26/87/1030892687.db2.gz BEIWDYJOGBVIPX-CRVHURSRSA-N 1 0 379.456 3.587 20 30 GHEDRO Cc1cc(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218324899 1030893872 /nfs/dbraw/zinc/89/38/72/1030893872.db2.gz KNMCVISLYVBOSY-MOCNJJDGSA-N 1 0 379.456 3.597 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3C[NH2+]CCC34CC4)c(C#N)c2)nc1C ZINC001218405367 1030923151 /nfs/dbraw/zinc/92/31/51/1030923151.db2.gz QKQPJHFCDKNXGJ-QGZVFWFLSA-N 1 0 397.500 3.688 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3C[NH2+]CCC34CC4)cc2)cc1 ZINC001218403791 1030923183 /nfs/dbraw/zinc/92/31/83/1030923183.db2.gz KSDUNESUZPQSFO-OAQYLSRUSA-N 1 0 399.512 3.605 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[NH2+]C[C@H]2C)c1OC ZINC001218420664 1030932949 /nfs/dbraw/zinc/93/29/49/1030932949.db2.gz DMAKCMSYCSVCIN-XLMAXXKQSA-N 1 0 397.471 3.682 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(O)c1 ZINC001218445281 1030938846 /nfs/dbraw/zinc/93/88/46/1030938846.db2.gz WBNMDHVNOXTYHY-IDHHARJASA-N 1 0 377.481 3.744 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(c1)OC[C@@H](c1ccc(O)cc1)C2=O ZINC001218451164 1030940864 /nfs/dbraw/zinc/94/08/64/1030940864.db2.gz AWYLJFYIKGXBCX-PWRODBHTSA-N 1 0 379.456 3.827 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(c1)OC[C@@H](Cc1ccc(O)cc1)C2=O ZINC001218457551 1030944607 /nfs/dbraw/zinc/94/46/07/1030944607.db2.gz SLRREUOCPYQEPB-ZPMCFJSWSA-N 1 0 393.483 3.902 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c1C(=O)/C=C/c1ccccc1 ZINC001218459712 1030945769 /nfs/dbraw/zinc/94/57/69/1030945769.db2.gz HRTHUMHOBANNMG-MHPHGJLJSA-N 1 0 379.456 3.674 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218464544 1030948303 /nfs/dbraw/zinc/94/83/03/1030948303.db2.gz LRUOEUZIZBVFES-PZRHQBQUSA-N 1 0 393.483 3.977 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2c1ccn2C(=O)OC(C)(C)C ZINC001151711606 1030978829 /nfs/dbraw/zinc/97/88/29/1030978829.db2.gz CUQRDZORNXWPMF-INIZCTEOSA-N 1 0 383.492 3.805 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001218541208 1030979280 /nfs/dbraw/zinc/97/92/80/1030979280.db2.gz IEJUJDKHQQKHLL-WMZOPIPTSA-N 1 0 398.507 3.581 20 30 GHEDRO N#Cc1c(NC(=O)[C@@H](O)c2ccccc2C2CCCCC2)sc2c1CC[NH2+]C2 ZINC001218552484 1030983948 /nfs/dbraw/zinc/98/39/48/1030983948.db2.gz HBUFTHJUELZIGP-FQEVSTJZSA-N 1 0 395.528 3.985 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218561134 1030986533 /nfs/dbraw/zinc/98/65/33/1030986533.db2.gz XJFOHOAQZPKVEI-SFHVURJKSA-N 1 0 376.504 3.862 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1CO[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224430734 1031001581 /nfs/dbraw/zinc/00/15/81/1031001581.db2.gz UWGBTGYKCFCPNU-VQTJNVASSA-N 1 0 385.508 3.549 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1c(C(=O)OCC)cnn1Cc1ccccc1 ZINC001218614861 1031004934 /nfs/dbraw/zinc/00/49/34/1031004934.db2.gz OOPUIDSSQGDLND-IBGZPJMESA-N 1 0 398.507 3.510 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2cnc3cc(Cl)ccc3c2)C1 ZINC001218649039 1031019422 /nfs/dbraw/zinc/01/94/22/1031019422.db2.gz PQBSDADMPWDOCF-SZNDQCEHSA-N 1 0 390.874 3.919 20 30 GHEDRO N#Cc1cccnc1N1CCC(OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224825175 1031138206 /nfs/dbraw/zinc/13/82/06/1031138206.db2.gz IBMQXCZZVIUUNF-OAQYLSRUSA-N 1 0 390.531 3.851 20 30 GHEDRO CC(C)(C)c1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H](S)C[NH2+]3)c2)c1 ZINC001218900460 1031139649 /nfs/dbraw/zinc/13/96/49/1031139649.db2.gz MNJLETVTDWRUCM-OALUTQOASA-N 1 0 397.544 3.835 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cc1Cl ZINC001152198540 1031141172 /nfs/dbraw/zinc/14/11/72/1031141172.db2.gz JLECPZJYTZBRLT-UHFFFAOYSA-N 1 0 380.835 3.543 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)Nc2ccc(F)c(C#N)c2F)cc1 ZINC001218912929 1031149526 /nfs/dbraw/zinc/14/95/26/1031149526.db2.gz GQMCNJZENIDASG-AWEZNQCLSA-N 1 0 387.430 3.912 20 30 GHEDRO N#Cc1ccc(NC(=O)C[C@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)c(O)c1 ZINC001218987722 1031197416 /nfs/dbraw/zinc/19/74/16/1031197416.db2.gz BEICDKQUQKXIKZ-HNNXBMFYSA-N 1 0 379.435 3.540 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)c2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001219311058 1031350938 /nfs/dbraw/zinc/35/09/38/1031350938.db2.gz RLGZJQZSGAYZLW-UHFFFAOYSA-N 1 0 391.591 3.573 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCSC12C[NH2+]C2 ZINC001219482417 1031448933 /nfs/dbraw/zinc/44/89/33/1031448933.db2.gz AKAORHMQFSLNBY-HNNXBMFYSA-N 1 0 379.001 3.603 20 30 GHEDRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)O2)CO1 ZINC001461773528 1069739513 /nfs/dbraw/zinc/73/95/13/1069739513.db2.gz FLNHPDIFQWAMQB-QFWMQHCXSA-N 1 0 392.499 3.953 20 30 GHEDRO C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219587238 1031512386 /nfs/dbraw/zinc/51/23/86/1031512386.db2.gz WHSIHQRGFKWDJX-UXLLHSPISA-N 1 0 397.450 3.514 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC001225757097 1031584352 /nfs/dbraw/zinc/58/43/52/1031584352.db2.gz PPFBPHKCTFLYKE-UHFFFAOYSA-N 1 0 383.536 3.543 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C(C)(C)C ZINC001219911342 1031689775 /nfs/dbraw/zinc/68/97/75/1031689775.db2.gz DHELVIWOUCPEBA-CVEARBPZSA-N 1 0 384.446 3.827 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccc(C3CC3)c(C#N)c2)cc1 ZINC001219954249 1031716207 /nfs/dbraw/zinc/71/62/07/1031716207.db2.gz SMTHRNSJKCFHPV-OAQYLSRUSA-N 1 0 378.476 3.869 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)cc21 ZINC001220202001 1031832753 /nfs/dbraw/zinc/83/27/53/1031832753.db2.gz JGCWEIWKENTBCM-QGZVFWFLSA-N 1 0 377.492 3.864 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC001461818615 1069768824 /nfs/dbraw/zinc/76/88/24/1069768824.db2.gz FRFXLJWDJVBWRF-QGZVFWFLSA-N 1 0 379.504 3.891 20 30 GHEDRO N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC001220596935 1032002215 /nfs/dbraw/zinc/00/22/15/1032002215.db2.gz OHRGAKPLSYYAOO-VWNXMTODSA-N 1 0 381.479 3.821 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](Nc2ccccc2)C1)C(C)C ZINC001220597747 1032003306 /nfs/dbraw/zinc/00/33/06/1032003306.db2.gz HPOFSPUGFSRMJR-FGZHOGPDSA-N 1 0 384.568 3.971 20 30 GHEDRO CC#CCCNC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001226583788 1032025129 /nfs/dbraw/zinc/02/51/29/1032025129.db2.gz JEMBOQDOJAAHDL-LADGPHEKSA-N 1 0 375.516 3.757 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001220664039 1032051957 /nfs/dbraw/zinc/05/19/57/1032051957.db2.gz UTQRKKXCYPWCRZ-VGSWGCGISA-N 1 0 392.499 3.511 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)n3ccc(CC[NH3+])n3)cc2c1Cl ZINC001156905480 1033310998 /nfs/dbraw/zinc/31/09/98/1033310998.db2.gz SWROAQNCOIHFHX-UHFFFAOYSA-N 1 0 382.201 3.709 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001229292458 1033396878 /nfs/dbraw/zinc/39/68/78/1033396878.db2.gz UCFPOHGQNUEDIW-UHFFFAOYSA-N 1 0 381.442 3.582 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)ccc1F ZINC001205467235 1033425387 /nfs/dbraw/zinc/42/53/87/1033425387.db2.gz MXQDGLNKXOQIES-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)ccc1F ZINC001205472653 1033428295 /nfs/dbraw/zinc/42/82/95/1033428295.db2.gz GIWOZCCTIHXFHR-DHIUTWEWSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1cc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001157383844 1033564474 /nfs/dbraw/zinc/56/44/74/1033564474.db2.gz MMJVTHZXZHVYTR-UHFFFAOYSA-N 1 0 398.426 3.821 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001157475773 1033610120 /nfs/dbraw/zinc/61/01/20/1033610120.db2.gz LZCASQLCWVOFHZ-HXUWFJFHSA-N 1 0 383.883 3.906 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001157475771 1033610332 /nfs/dbraw/zinc/61/03/32/1033610332.db2.gz LZCASQLCWVOFHZ-FQEVSTJZSA-N 1 0 383.883 3.906 20 30 GHEDRO C[C@H](C(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001157477665 1033611489 /nfs/dbraw/zinc/61/14/89/1033611489.db2.gz NGYJWJGPGCGUGD-QGZVFWFLSA-N 1 0 381.545 3.921 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]2C1 ZINC001157690901 1033724773 /nfs/dbraw/zinc/72/47/73/1033724773.db2.gz SDHMQINXHUKTMB-PHIMTYICSA-N 1 0 375.250 3.583 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC001229990402 1033838102 /nfs/dbraw/zinc/83/81/02/1033838102.db2.gz UYYLIAMBTIYTFC-NRFANRHFSA-N 1 0 387.568 3.706 20 30 GHEDRO N#Cc1ncc(Cl)nc1N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001158088876 1033909804 /nfs/dbraw/zinc/90/98/04/1033909804.db2.gz SJISITMALCYVOZ-UHFFFAOYSA-N 1 0 395.816 3.779 20 30 GHEDRO C[N@@H+](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001206578286 1033913879 /nfs/dbraw/zinc/91/38/79/1033913879.db2.gz UHIQKUFTSJBXRS-OAQYLSRUSA-N 1 0 395.503 3.748 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C1CCOCC1 ZINC001206727140 1033958889 /nfs/dbraw/zinc/95/88/89/1033958889.db2.gz FNRWHEKFAYBBCB-GOSISDBHSA-N 1 0 390.549 3.559 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Oc2c(OC)c(OC)cc(O)c2C(=O)/C=C/c2ccccc2)C1 ZINC001230439546 1034057484 /nfs/dbraw/zinc/05/74/84/1034057484.db2.gz FDWDJNQRKJWGNR-SXSDINLZSA-N 1 0 397.471 3.779 20 30 GHEDRO Cc1nc(C#N)cc(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)n1 ZINC001158424151 1034073696 /nfs/dbraw/zinc/07/36/96/1034073696.db2.gz AKAGROQHHXSLKS-UHFFFAOYSA-N 1 0 395.510 3.958 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ccc(C2(C#N)CCOCC2)cn1 ZINC001158521543 1034125763 /nfs/dbraw/zinc/12/57/63/1034125763.db2.gz FCHIXFUZLIPSMT-WOJBJXKFSA-N 1 0 390.531 3.753 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001207214731 1034182524 /nfs/dbraw/zinc/18/25/24/1034182524.db2.gz PLKGTGPNUJTYEF-UYAOXDASSA-N 1 0 385.508 3.658 20 30 GHEDRO C[NH+](C)CC(C)(C)CN1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001207286480 1034237183 /nfs/dbraw/zinc/23/71/83/1034237183.db2.gz UBBIUULAAIYCNJ-UHFFFAOYSA-N 1 0 378.358 3.894 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001207376747 1034321411 /nfs/dbraw/zinc/32/14/11/1034321411.db2.gz ZUEMQWYGRFBSCE-SFHVURJKSA-N 1 0 385.508 3.801 20 30 GHEDRO COC(=O)C[C@@H](C#N)c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001230993066 1034331274 /nfs/dbraw/zinc/33/12/74/1034331274.db2.gz YNVPEJBCMLAPKE-UNMCSNQZSA-N 1 0 378.472 3.900 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277487389 1034403542 /nfs/dbraw/zinc/40/35/42/1034403542.db2.gz IQUBXYTXBCHIHE-KRWDZBQOSA-N 1 0 385.817 3.731 20 30 GHEDRO CCOC(=O)c1c2c(sc1Nc1cc(C#N)cc(C3C[NH2+]C3)c1)C(=O)CCC2 ZINC001159147974 1034451410 /nfs/dbraw/zinc/45/14/10/1034451410.db2.gz YWCKCNQTPHDENZ-UHFFFAOYSA-N 1 0 395.484 3.746 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C3)C2)c1 ZINC001207627091 1034496846 /nfs/dbraw/zinc/49/68/46/1034496846.db2.gz RCWUICVJFTXMLQ-BQUSRXHISA-N 1 0 377.532 3.689 20 30 GHEDRO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001207648657 1034509186 /nfs/dbraw/zinc/50/91/86/1034509186.db2.gz HENLFDGYZGQHST-NTKDMRAZSA-N 1 0 397.563 3.954 20 30 GHEDRO N#Cc1cnn(-c2ccc(Br)cc2)c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159268839 1034513947 /nfs/dbraw/zinc/51/39/47/1034513947.db2.gz RSDMVSVARKMTAL-UHFFFAOYSA-N 1 0 394.276 3.896 20 30 GHEDRO COc1cc(C#N)ccc1Nc1sc2c(c1C(=O)OC(C)(C)C)CC[NH2+]C2 ZINC001159271779 1034515538 /nfs/dbraw/zinc/51/55/38/1034515538.db2.gz HDZXWCJMPJBTSU-UHFFFAOYSA-N 1 0 385.489 3.973 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3F)CC2)C1=O ZINC001276543879 1034560799 /nfs/dbraw/zinc/56/07/99/1034560799.db2.gz ZKKYTDLAJMYBKT-LJQANCHMSA-N 1 0 383.294 3.970 20 30 GHEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001159597611 1034685100 /nfs/dbraw/zinc/68/51/00/1034685100.db2.gz LWQLQXFZMLYRPA-ZDUSSCGKSA-N 1 0 384.399 3.887 20 30 GHEDRO N#Cc1cc(Nc2ccc(OC(F)(F)F)c(F)c2)ccc1N1CC[NH2+]CC1 ZINC001159748685 1034731243 /nfs/dbraw/zinc/73/12/43/1034731243.db2.gz IQEAOBRXMMSCLY-UHFFFAOYSA-N 1 0 380.345 3.749 20 30 GHEDRO N#Cc1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)c(Br)cc1F ZINC001159752616 1034733270 /nfs/dbraw/zinc/73/32/70/1034733270.db2.gz DUFKSPNGEVJJTF-UHFFFAOYSA-N 1 0 375.245 3.613 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001208118776 1034746602 /nfs/dbraw/zinc/74/66/02/1034746602.db2.gz OISPVIFDXCQHIF-LLHUBBTMSA-N 1 0 389.540 3.658 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001231620016 1034777436 /nfs/dbraw/zinc/77/74/36/1034777436.db2.gz VLEKRTBVHDBMTI-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001231619960 1034778385 /nfs/dbraw/zinc/77/83/85/1034778385.db2.gz MRTYZBFXKWBRPP-UHFFFAOYSA-N 1 0 390.409 3.693 20 30 GHEDRO N#Cc1cc(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)ccc1F ZINC001159961968 1034803487 /nfs/dbraw/zinc/80/34/87/1034803487.db2.gz KLOHOZULDMTFBL-UHFFFAOYSA-N 1 0 378.373 3.865 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(C[C@@H](NC(=O)NC)c4ccc(C)cc43)CC2)c1 ZINC001231656585 1034813335 /nfs/dbraw/zinc/81/33/35/1034813335.db2.gz BGLMDPVIVGMKBI-HSZRJFAPSA-N 1 0 387.527 3.884 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)c1 ZINC001231658042 1034814549 /nfs/dbraw/zinc/81/45/49/1034814549.db2.gz XPAQHORCYSNKIK-JWQCQUIFSA-N 1 0 390.527 3.959 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(C[C@H](OCc4csc(C)n4)CO3)CC2)c1 ZINC001231659460 1034816905 /nfs/dbraw/zinc/81/69/05/1034816905.db2.gz MNJGXAFBKBVUMX-NRFANRHFSA-N 1 0 382.529 3.773 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(NCc2ccccc2N2CC[NH2+]CC2)c1C#N ZINC001160108256 1034864029 /nfs/dbraw/zinc/86/40/29/1034864029.db2.gz JTLTXDXKZQPQOW-UHFFFAOYSA-N 1 0 376.291 3.590 20 30 GHEDRO CC(C)OCc1ncn2c1C[N@H+](Cc1ccc(N(C)CCC#N)cc1)CCC2 ZINC001231817561 1034926452 /nfs/dbraw/zinc/92/64/52/1034926452.db2.gz JREQZNBLNRLTEV-UHFFFAOYSA-N 1 0 381.524 3.564 20 30 GHEDRO Cc1nc(CN2CCC3(C[NH+](Cc4ccc(N(C)CCC#N)cc4)C3)C2)cs1 ZINC001231818765 1034927613 /nfs/dbraw/zinc/92/76/13/1034927613.db2.gz FHQHBKWJORFRTI-UHFFFAOYSA-N 1 0 395.576 3.509 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC001231820607 1034928137 /nfs/dbraw/zinc/92/81/37/1034928137.db2.gz PWIJPXKZVQGTBU-LJQANCHMSA-N 1 0 386.540 3.916 20 30 GHEDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001231824211 1034931008 /nfs/dbraw/zinc/93/10/08/1034931008.db2.gz FPLATLHCCBFSFI-CYBMUJFWSA-N 1 0 375.284 3.670 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(C3CC3)c(C#N)c2)[NH+](C)C)c1 ZINC001208590430 1034946853 /nfs/dbraw/zinc/94/68/53/1034946853.db2.gz UQVSVCBBDCCBRV-NRFANRHFSA-N 1 0 378.476 3.869 20 30 GHEDRO COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001160347348 1034947525 /nfs/dbraw/zinc/94/75/25/1034947525.db2.gz CYZZOFKKJIJQJX-UHFFFAOYSA-N 1 0 379.460 3.666 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](C[C@H](C)OCc1ccccc1)CC2 ZINC001208698804 1034984572 /nfs/dbraw/zinc/98/45/72/1034984572.db2.gz STNPFRBDGCNHJT-IBGZPJMESA-N 1 0 395.547 3.959 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001208849874 1035056851 /nfs/dbraw/zinc/05/68/51/1035056851.db2.gz OPGJNAFSYAEJNC-DEOSSOPVSA-N 1 0 388.515 3.543 20 30 GHEDRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208851604 1035057904 /nfs/dbraw/zinc/05/79/04/1035057904.db2.gz AFVLPTGNPWAVIR-QHCPKHFHSA-N 1 0 387.527 3.971 20 30 GHEDRO CCn1ncc2c1C[N@H+](CCCc1cccc(C#N)c1)C[C@@H]2COCC1CC1 ZINC001208851990 1035058538 /nfs/dbraw/zinc/05/85/38/1035058538.db2.gz QJHCXHUFXITDHV-OAQYLSRUSA-N 1 0 378.520 3.733 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@H+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857325 1035061681 /nfs/dbraw/zinc/06/16/81/1035061681.db2.gz ZGLGOLRBXARPJE-HSZRJFAPSA-N 1 0 399.535 3.593 20 30 GHEDRO CCN(CC)C(=O)c1nc2c(s1)CC[N@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001208857877 1035061824 /nfs/dbraw/zinc/06/18/24/1035061824.db2.gz ASFLIBOZDDRDIU-UHFFFAOYSA-N 1 0 396.560 3.530 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)cc1 ZINC001208857842 1035061948 /nfs/dbraw/zinc/06/19/48/1035061948.db2.gz AMDKABCPRNZTAX-BJKOFHAPSA-N 1 0 391.515 3.726 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)cc1 ZINC001208859124 1035062456 /nfs/dbraw/zinc/06/24/56/1035062456.db2.gz LTPKRHPDYOPPBO-UHFFFAOYSA-N 1 0 388.515 3.514 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)cc1 ZINC001208926585 1035092098 /nfs/dbraw/zinc/09/20/98/1035092098.db2.gz INHHOJXZBZNRSZ-XMMPIXPASA-N 1 0 393.506 3.859 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)cc1Cl ZINC001232112898 1035101328 /nfs/dbraw/zinc/10/13/28/1035101328.db2.gz MPZWNXQHCNJQEB-KSEOMHKRSA-N 1 0 397.906 3.945 20 30 GHEDRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccc(C#N)c(Cl)c4)C[C@@H]3C2=O)c1 ZINC001232114534 1035103712 /nfs/dbraw/zinc/10/37/12/1035103712.db2.gz LMZNGKATLVDZPQ-PMACEKPBSA-N 1 0 379.891 3.611 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2-n2c(C[NH3+])cc3ccncc32)cc1 ZINC001160966602 1035107413 /nfs/dbraw/zinc/10/74/13/1035107413.db2.gz RMZZJDIKBPJGNI-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(C#N)c1Br ZINC001161204382 1035179253 /nfs/dbraw/zinc/17/92/53/1035179253.db2.gz HQTXVOZHMWNKGR-UHFFFAOYSA-N 1 0 388.265 3.643 20 30 GHEDRO C=CCCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 ZINC001209161152 1035195908 /nfs/dbraw/zinc/19/59/08/1035195908.db2.gz HOTUVVJFBGBIQY-OALUTQOASA-N 1 0 392.565 3.525 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCc4ccc(F)c(F)c4)C3)CC2=O)c1 ZINC001209243150 1035218324 /nfs/dbraw/zinc/21/83/24/1035218324.db2.gz DFDLBISPIPFBAA-QFIPXVFZSA-N 1 0 381.426 3.508 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCc3ccc(F)c(F)c3)CC2)cc1 ZINC001209247814 1035220472 /nfs/dbraw/zinc/22/04/72/1035220472.db2.gz PUMHUKXEUIPAPN-UHFFFAOYSA-N 1 0 384.430 3.665 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](CCCC2OCCO2)C1 ZINC001209311133 1035238245 /nfs/dbraw/zinc/23/82/45/1035238245.db2.gz VZSOPKMDZDIGMF-JOCHJYFZSA-N 1 0 376.500 3.971 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)c1ccc(Cl)cc1 ZINC001209329989 1035243047 /nfs/dbraw/zinc/24/30/47/1035243047.db2.gz MVBLMBUPINTFBT-GJZGRUSLSA-N 1 0 390.837 3.867 20 30 GHEDRO N#CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C(F)(F)F ZINC001209329145 1035243089 /nfs/dbraw/zinc/24/30/89/1035243089.db2.gz HIJXNYMQOCLJNB-QGZVFWFLSA-N 1 0 382.430 3.706 20 30 GHEDRO CC(C)(C)OC(=O)NCCCC[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001209368343 1035256705 /nfs/dbraw/zinc/25/67/05/1035256705.db2.gz ICZDKKDXQVRYJQ-UHFFFAOYSA-N 1 0 375.488 3.988 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161585135 1035265618 /nfs/dbraw/zinc/26/56/18/1035265618.db2.gz XSJIXQTZURSQGP-UHFFFAOYSA-N 1 0 398.510 3.554 20 30 GHEDRO C=CCCCCCC[N@H+]1CCC[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 ZINC001209440684 1035274242 /nfs/dbraw/zinc/27/42/42/1035274242.db2.gz OAJNAYRNSXROFD-MSOLQXFVSA-N 1 0 382.545 3.901 20 30 GHEDRO C=CCCCCCCC[N@@H+]1Cc2nnn(C)c2[C@H](COCc2cccnc2)C1 ZINC001209441134 1035275333 /nfs/dbraw/zinc/27/53/33/1035275333.db2.gz HYGLXCURMIITGS-FQEVSTJZSA-N 1 0 383.540 3.853 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c3ccccc3nn1C)CC2 ZINC001209536606 1035307383 /nfs/dbraw/zinc/30/73/83/1035307383.db2.gz DNXBMBHJDGYPRD-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161885277 1035321718 /nfs/dbraw/zinc/32/17/18/1035321718.db2.gz LYKBOGYPTPIOGG-HNNXBMFYSA-N 1 0 376.838 3.910 20 30 GHEDRO C[NH2+][C@H](Cc1ccccc1)c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001248186765 1035614442 /nfs/dbraw/zinc/61/44/42/1035614442.db2.gz CYMUEGMKQBPFJL-MRXNPFEDSA-N 1 0 383.249 3.874 20 30 GHEDRO Cc1cc(-c2noc(C[C@H]([NH3+])Cc3ccc(Br)cc3)n2)ccc1C#N ZINC001248188039 1035615568 /nfs/dbraw/zinc/61/55/68/1035615568.db2.gz VYIOVLQPNDBKGE-QGZVFWFLSA-N 1 0 397.276 3.792 20 30 GHEDRO Cc1c(C(=O)Nc2ccccc2C#N)cccc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC001241776812 1035694703 /nfs/dbraw/zinc/69/47/03/1035694703.db2.gz UWMNYGSZMLEOAJ-UHFFFAOYSA-N 1 0 385.471 3.907 20 30 GHEDRO Cc1cc(-c2noc(C[C@@H]([NH3+])c3ccc(Br)cc3)n2)ccc1C#N ZINC001248260099 1035708631 /nfs/dbraw/zinc/70/86/31/1035708631.db2.gz YIBJPNPOQSWAQO-MRXNPFEDSA-N 1 0 383.249 3.922 20 30 GHEDRO CCCCOC(=O)Nc1ccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001241933044 1035750827 /nfs/dbraw/zinc/75/08/27/1035750827.db2.gz JIRLBGVAOIUEJL-UHFFFAOYSA-N 1 0 378.476 3.983 20 30 GHEDRO Cc1c(C(=O)Nc2ccccc2C#N)cccc1-c1ccnc(N2CC[NH2+]CC2)c1 ZINC001242396424 1035899677 /nfs/dbraw/zinc/89/96/77/1035899677.db2.gz GGWMBQLBVUPSID-UHFFFAOYSA-N 1 0 397.482 3.591 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001248749525 1036106318 /nfs/dbraw/zinc/10/63/18/1036106318.db2.gz BCQXNPDRZBTWKB-BJKOFHAPSA-N 1 0 391.515 3.856 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OC)c(Cl)c1OC)CC2 ZINC001248798191 1036168077 /nfs/dbraw/zinc/16/80/77/1036168077.db2.gz IIJYQNUTNGFASK-OAQYLSRUSA-N 1 0 392.927 3.890 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1c(F)c(F)c(C#N)c(F)c1F ZINC001244160358 1036403669 /nfs/dbraw/zinc/40/36/69/1036403669.db2.gz FXWPNFRELZKSHK-UHFFFAOYSA-N 1 0 379.357 3.542 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1ccccc1C1(C#N)CCOCC1 ZINC001244160637 1036405676 /nfs/dbraw/zinc/40/56/76/1036405676.db2.gz MEQKWZKCBPPAFX-UHFFFAOYSA-N 1 0 391.515 3.686 20 30 GHEDRO N#Cc1cc(-c2ccc(OC3CC[NH2+]CC3)cc2)ccc1OC1CCOCC1 ZINC001245306205 1036864291 /nfs/dbraw/zinc/86/42/91/1036864291.db2.gz DUHUSOATOYLPLG-UHFFFAOYSA-N 1 0 378.472 3.914 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)CC1 ZINC001245759358 1036989593 /nfs/dbraw/zinc/98/95/93/1036989593.db2.gz AFNBJEODZQWIFM-UHFFFAOYSA-N 1 0 382.455 3.692 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@@H]3CN(C(=S)Nc4ccc(C#N)cc4)C[C@H]3C2)cc1 ZINC001245890262 1037044366 /nfs/dbraw/zinc/04/43/66/1037044366.db2.gz KKDDLPNLFFZDDP-WOJBJXKFSA-N 1 0 376.529 3.627 20 30 GHEDRO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNc1cc(C(F)(F)F)c(F)cc1F ZINC001245964589 1037087322 /nfs/dbraw/zinc/08/73/22/1037087322.db2.gz YSMCDSADNJSYQA-GOEBONIOSA-N 1 0 396.306 3.605 20 30 GHEDRO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNc1ccccc1C#Cc1ccccc1 ZINC001245964721 1037087470 /nfs/dbraw/zinc/08/74/70/1037087470.db2.gz AODDJUPHDHFAJG-LADGPHEKSA-N 1 0 392.449 3.707 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246033904 1037150073 /nfs/dbraw/zinc/15/00/73/1037150073.db2.gz OGEVBCJJLTZPEW-ZLNRFVROSA-N 1 0 398.632 3.595 20 30 GHEDRO C=CCOC1CCC(N2CC[NH2+][C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246807506 1037641859 /nfs/dbraw/zinc/64/18/59/1037641859.db2.gz RMIZWQZPMUUOMB-CTWPCTMYSA-N 1 0 379.342 3.909 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246844280 1037671993 /nfs/dbraw/zinc/67/19/93/1037671993.db2.gz LMAZNLGGIJNFGO-YTFSRNRJSA-N 1 0 375.516 3.765 20 30 GHEDRO CCCCCCCCNC(=S)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001247142758 1037942805 /nfs/dbraw/zinc/94/28/05/1037942805.db2.gz VMGPXZWMYSTUII-RBBKRZOGSA-N 1 0 395.657 3.902 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(C[C@H]([NH3+])Cc4cccnc4)n3)cc2)cc1 ZINC001247157349 1037953933 /nfs/dbraw/zinc/95/39/33/1037953933.db2.gz DHRDZISYFIKDLK-OAQYLSRUSA-N 1 0 381.439 3.783 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnc(SC)cc3C)C2)C1 ZINC001232341794 1038119327 /nfs/dbraw/zinc/11/93/27/1038119327.db2.gz GBLBGWQUOJUGNM-HXUWFJFHSA-N 1 0 375.538 3.722 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(OCc4ccccc4)nc3)CC2)nc1 ZINC001232358066 1038136935 /nfs/dbraw/zinc/13/69/35/1038136935.db2.gz YIZNOOBDAFESHX-UHFFFAOYSA-N 1 0 399.498 3.640 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc(CCN3CC[NH+](C)CC3)n2)cc1 ZINC001247447954 1038194413 /nfs/dbraw/zinc/19/44/13/1038194413.db2.gz GCQXJIMOUAVFBQ-UHFFFAOYSA-N 1 0 386.540 3.876 20 30 GHEDRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3cc(C#N)ccn3)CC2)CC1=O ZINC001232478697 1038260647 /nfs/dbraw/zinc/26/06/47/1038260647.db2.gz OPZIKHDRXBWUCS-UHFFFAOYSA-N 1 0 388.515 3.880 20 30 GHEDRO N#Cc1ccnc(C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)c1 ZINC001232480887 1038260671 /nfs/dbraw/zinc/26/06/71/1038260671.db2.gz NCFALDMASQIWAY-UHFFFAOYSA-N 1 0 388.515 3.718 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3cc(Cl)cs3)C2)C1=O ZINC001277673142 1038270221 /nfs/dbraw/zinc/27/02/21/1038270221.db2.gz KHLZDJCPLVEMTP-PZJWPPBQSA-N 1 0 384.932 3.853 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(Br)c(C)s3)CC2)C1=O ZINC001277679932 1038314042 /nfs/dbraw/zinc/31/40/42/1038314042.db2.gz RZFDRMQQUIFVCD-UHFFFAOYSA-N 1 0 383.355 3.820 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(C(=O)OCC)cc1Cl)CC2 ZINC001232590493 1038360959 /nfs/dbraw/zinc/36/09/59/1038360959.db2.gz NBCXHOMCKJSBQY-UHFFFAOYSA-N 1 0 390.911 3.660 20 30 GHEDRO CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001277689683 1038401707 /nfs/dbraw/zinc/40/17/07/1038401707.db2.gz VAWASWOBBNZMDE-IAGOWNOFSA-N 1 0 377.941 3.931 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(C[C@H]3COC4(C3)CC[NH2+]CC4)n2)cc1Cl ZINC001247836041 1038414693 /nfs/dbraw/zinc/41/46/93/1038414693.db2.gz OFYUFNVFFMBXPP-LLVKDONJSA-N 1 0 393.274 3.616 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc([C@H]2C[NH2+]C[C@H]3CCCC[C@@H]23)n1 ZINC001247945346 1038510965 /nfs/dbraw/zinc/51/09/65/1038510965.db2.gz NRNOSBNPHUAOLE-XFJVYGCCSA-N 1 0 387.281 3.864 20 30 GHEDRO C#C[C@@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccc(F)cc1 ZINC001462282301 1070141311 /nfs/dbraw/zinc/14/13/11/1070141311.db2.gz WHAABWAXWHGVRZ-QGZVFWFLSA-N 1 0 376.378 3.673 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccccc4-n4cccc4)C3)CC2=O)c1 ZINC001232909498 1038706255 /nfs/dbraw/zinc/70/62/55/1038706255.db2.gz IJCYCSXIFZVFFM-VWLOTQADSA-N 1 0 396.494 3.978 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c(C#N)c1 ZINC001232964865 1038739393 /nfs/dbraw/zinc/73/93/93/1038739393.db2.gz CINDMRPISKSLTE-IBGZPJMESA-N 1 0 381.451 3.603 20 30 GHEDRO O=C(CC[NH2+]C[C@H](O)c1ccccc1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001252011094 1038810158 /nfs/dbraw/zinc/81/01/58/1038810158.db2.gz WPKSXKRUFZRBBF-VWLOTQADSA-N 1 0 396.490 3.646 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001233080137 1038849187 /nfs/dbraw/zinc/84/91/87/1038849187.db2.gz SXOXLJCDLOZRND-HSZRJFAPSA-N 1 0 399.535 3.716 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001252129126 1038881433 /nfs/dbraw/zinc/88/14/33/1038881433.db2.gz WVSHLOZOAQCMSY-AQNXPRMDSA-N 1 0 376.541 3.928 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC(Oc2ccc(C(N)=O)cc2)CC1 ZINC001252129775 1038883842 /nfs/dbraw/zinc/88/38/42/1038883842.db2.gz DMTNXPMEYDKUJX-IBGZPJMESA-N 1 0 376.541 3.740 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001252133641 1038885326 /nfs/dbraw/zinc/88/53/26/1038885326.db2.gz KKSPNQSNADLMAN-HXUWFJFHSA-N 1 0 396.597 3.541 20 30 GHEDRO CCC[N@H+](CC(C)C)C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252325085 1038942698 /nfs/dbraw/zinc/94/26/98/1038942698.db2.gz RFYGMTWNOJOQKC-SFHVURJKSA-N 1 0 385.430 3.635 20 30 GHEDRO C[C@@](O)(C[NH2+]CCC1CCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252334535 1038945516 /nfs/dbraw/zinc/94/55/16/1038945516.db2.gz MODVMIKHDPEXEE-LJQANCHMSA-N 1 0 397.441 3.827 20 30 GHEDRO C[C@@](O)(C[NH2+]C[C@H]1CCC(C)(C)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339244 1038946680 /nfs/dbraw/zinc/94/66/80/1038946680.db2.gz YNKSYRHSPBIXHF-ORAYPTAESA-N 1 0 397.441 3.682 20 30 GHEDRO C[C@@](O)(C[NH2+][C@@H]1CC12CCCCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252343652 1038948188 /nfs/dbraw/zinc/94/81/88/1038948188.db2.gz VUANXXMPXZVZBZ-SJLPKXTDSA-N 1 0 395.425 3.579 20 30 GHEDRO C[C@](O)(C[NH2+]C1CCC(C)(C)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252343522 1038948279 /nfs/dbraw/zinc/94/82/79/1038948279.db2.gz UILKNESIVHVIMP-IBGZPJMESA-N 1 0 397.441 3.825 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(O)c(OCC3CC3)c1)C2 ZINC001233226110 1038986276 /nfs/dbraw/zinc/98/62/76/1038986276.db2.gz VBINUTFBLYBQLS-HSZRJFAPSA-N 1 0 384.520 3.714 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC2(CC1)c1ccccc1N(Cc1ccccc1)C2=O ZINC001252553365 1039032468 /nfs/dbraw/zinc/03/24/68/1039032468.db2.gz WXTHJVIHPFOBMF-QHCPKHFHSA-N 1 0 376.500 3.504 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001252577373 1039037028 /nfs/dbraw/zinc/03/70/28/1039037028.db2.gz ZQWAISIEJXHEEV-UGKGYDQZSA-N 1 0 386.536 3.927 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]C1(c2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583611 1039037848 /nfs/dbraw/zinc/03/78/48/1039037848.db2.gz ONSTYKWWVLDADK-HXUWFJFHSA-N 1 0 378.488 3.579 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001233289543 1039069901 /nfs/dbraw/zinc/06/99/01/1039069901.db2.gz YWJCYTNYWNYIHN-HXUWFJFHSA-N 1 0 378.900 3.587 20 30 GHEDRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2cc1C ZINC001252678501 1039076500 /nfs/dbraw/zinc/07/65/00/1039076500.db2.gz KYMAZPFBDMZWKZ-GIWBLDEGSA-N 1 0 388.515 3.786 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(O)c1Cl)C2 ZINC001233399005 1039238263 /nfs/dbraw/zinc/23/82/63/1039238263.db2.gz HHEYYFZAMKXWNE-YLJYHZDGSA-N 1 0 381.900 3.628 20 30 GHEDRO N#Cc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001252938016 1039280246 /nfs/dbraw/zinc/28/02/46/1039280246.db2.gz LNDYWYSPUSZZRO-IBGZPJMESA-N 1 0 375.394 3.626 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@@H](O)COC[C@H](CC)CCCC)C2 ZINC001252994360 1039321128 /nfs/dbraw/zinc/32/11/28/1039321128.db2.gz AJOSMDNWKUDLNU-MQSCRBSSSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@H](O)COC[C@@H](CC)CCCC)CCO2 ZINC001253001516 1039328570 /nfs/dbraw/zinc/32/85/70/1039328570.db2.gz NPJURBJSDZHNLP-GSPCLOLRSA-N 1 0 397.600 3.654 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@@H](O)COC[C@@H](CC)CCCC)CCO2 ZINC001253001525 1039329256 /nfs/dbraw/zinc/32/92/56/1039329256.db2.gz NPJURBJSDZHNLP-WBADGQHESA-N 1 0 397.600 3.654 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(O[C@@H]2CCN(Cc3ccccc3C#N)C2)cn1 ZINC001233494306 1039386467 /nfs/dbraw/zinc/38/64/67/1039386467.db2.gz MAZSRQPEKFVQKF-LJQANCHMSA-N 1 0 394.475 3.954 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001253236252 1039490703 /nfs/dbraw/zinc/49/07/03/1039490703.db2.gz BZGAADFBKNVIMW-VWNXMTODSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001253236503 1039491522 /nfs/dbraw/zinc/49/15/22/1039491522.db2.gz DPRLDMWEVDMFSG-CIAFKFPVSA-N 1 0 388.552 3.827 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1 ZINC001253239614 1039496592 /nfs/dbraw/zinc/49/65/92/1039496592.db2.gz OWFWSXNNAWAQGH-OAQYLSRUSA-N 1 0 388.552 3.777 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC001253250295 1039503135 /nfs/dbraw/zinc/50/31/35/1039503135.db2.gz WUQPCPXEYILOKH-FGZHOGPDSA-N 1 0 378.532 3.504 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001253255908 1039505800 /nfs/dbraw/zinc/50/58/00/1039505800.db2.gz NXDVWODQWISDNF-OAQYLSRUSA-N 1 0 388.552 3.777 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC001233743223 1039582906 /nfs/dbraw/zinc/58/29/06/1039582906.db2.gz WJXLAUZBYIZAEA-ORYQWCPZSA-N 1 0 381.907 3.834 20 30 GHEDRO COc1cc(/C=N/O)ccc1OC[C@H]1CN(Cc2ccccc2)CC(C)(C)O1 ZINC001233803397 1039628937 /nfs/dbraw/zinc/62/89/37/1039628937.db2.gz OKQAXJLKHYMACV-AOOMUMSASA-N 1 0 384.476 3.562 20 30 GHEDRO Cc1ccc2oc(-c3ccc(O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)N5C)cc3)cc(=O)c2c1 ZINC001233807391 1039632223 /nfs/dbraw/zinc/63/22/23/1039632223.db2.gz TTWKAROWGORWPQ-DASPOYFHSA-N 1 0 389.451 3.760 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001253565403 1039705187 /nfs/dbraw/zinc/70/51/87/1039705187.db2.gz MTIGNKVUZCZOEE-FQEVSTJZSA-N 1 0 382.589 3.639 20 30 GHEDRO C=C[C@H](O)C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)c3ccc(Cl)cc32)CC1 ZINC001253574060 1039708030 /nfs/dbraw/zinc/70/80/30/1039708030.db2.gz WZRKDUCJDOPRQV-INIZCTEOSA-N 1 0 392.927 3.976 20 30 GHEDRO C=C[C@@H](O)C[N@@H+](Cc1cc(F)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587604 1039710531 /nfs/dbraw/zinc/71/05/31/1039710531.db2.gz MUVHJQUSPKEBCQ-HXUWFJFHSA-N 1 0 392.515 3.883 20 30 GHEDRO C=C[C@@H](O)C[NH2+]C1(Cc2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253606965 1039718116 /nfs/dbraw/zinc/71/81/16/1039718116.db2.gz OYAQKQGMYMQCNJ-QGZVFWFLSA-N 1 0 394.943 3.789 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610662 1039720358 /nfs/dbraw/zinc/72/03/58/1039720358.db2.gz VHGLYPBVJVLJRW-OALUTQOASA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1cn(C)cn1 ZINC001253615546 1039727200 /nfs/dbraw/zinc/72/72/00/1039727200.db2.gz KHOFICXNJYCCCV-JOCHJYFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001253616338 1039729125 /nfs/dbraw/zinc/72/91/25/1039729125.db2.gz SESWVSKYFDFKDT-QFIPXVFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CCOC(=O)[C@]12CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC001462400285 1070228345 /nfs/dbraw/zinc/22/83/45/1070228345.db2.gz ZYSPDGYIRSNMPL-SSPYTLHUSA-N 1 0 395.547 3.624 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC001253892563 1039884470 /nfs/dbraw/zinc/88/44/70/1039884470.db2.gz SCOFGGPXOOBCAQ-UHFFFAOYSA-N 1 0 376.435 3.873 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914546 1039897538 /nfs/dbraw/zinc/89/75/38/1039897538.db2.gz HOOSOXRLBMVTLC-YSGRDPCXSA-N 1 0 380.483 3.845 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914543 1039897790 /nfs/dbraw/zinc/89/77/90/1039897790.db2.gz HOOSOXRLBMVTLC-CDHQVMDDSA-N 1 0 380.483 3.845 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@H]4C[C@]5(CO4)CCC[NH2+]C5)nn3)cc2)cc1 ZINC001254067394 1039981696 /nfs/dbraw/zinc/98/16/96/1039981696.db2.gz ICGBITBDLILROB-ILBGXUMGSA-N 1 0 398.510 3.752 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H]1Cc3ccc(Br)cc3C1)CC2 ZINC001254280418 1040126257 /nfs/dbraw/zinc/12/62/57/1040126257.db2.gz SKGULDHPUJFDCJ-GOSISDBHSA-N 1 0 389.337 3.559 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001254282107 1040130199 /nfs/dbraw/zinc/13/01/99/1040130199.db2.gz QVMLBRAHWLGUMR-HSALFYBXSA-N 1 0 392.337 3.742 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)CC1 ZINC001254354986 1040188027 /nfs/dbraw/zinc/18/80/27/1040188027.db2.gz ODVCSUUVHSDFDZ-SDVLMSEASA-N 1 0 391.494 3.674 20 30 GHEDRO CCOC(=O)[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CCS1 ZINC001254359997 1040192153 /nfs/dbraw/zinc/19/21/53/1040192153.db2.gz SPNAZDXNIPSQIM-FDYSRKEFSA-N 1 0 376.497 3.510 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)C1CCOCC1 ZINC001462448934 1070260325 /nfs/dbraw/zinc/26/03/25/1070260325.db2.gz VMDDGSAHZXZIDJ-FDFHNCONSA-N 1 0 398.547 3.798 20 30 GHEDRO COc1cc(/C=C/c2cccc(O)c2)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)c1 ZINC001234786495 1040317761 /nfs/dbraw/zinc/31/77/61/1040317761.db2.gz JJFBPUCOESUASI-VSIZWWQYSA-N 1 0 379.456 3.562 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@H]3CC[C@H](C#N)C3)ccc12 ZINC001254647094 1040416307 /nfs/dbraw/zinc/41/63/07/1040416307.db2.gz ALHXXNMWQYYEIF-BXWFABGCSA-N 1 0 381.476 3.737 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC001254650951 1040418378 /nfs/dbraw/zinc/41/83/78/1040418378.db2.gz ZKINPAUDUVFCQX-IEBWSBKVSA-N 1 0 384.524 3.526 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)C1 ZINC001254663907 1040426676 /nfs/dbraw/zinc/42/66/76/1040426676.db2.gz DYAPWQXERHERBU-OALUTQOASA-N 1 0 375.516 3.636 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@@H](C#N)C2)C1 ZINC001254678276 1040434027 /nfs/dbraw/zinc/43/40/27/1040434027.db2.gz ZYZSVSJHAICPLU-HOJAQTOUSA-N 1 0 384.524 3.975 20 30 GHEDRO C=CCCC[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001254753801 1040515808 /nfs/dbraw/zinc/51/58/08/1040515808.db2.gz DYOSMVZCUPXJTB-IRLDBZIGSA-N 1 0 385.552 3.838 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)CCO2 ZINC001254802817 1040564859 /nfs/dbraw/zinc/56/48/59/1040564859.db2.gz PZRBFGZUXZWIJJ-SFHVURJKSA-N 1 0 385.508 3.551 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+]Cc1ncc(C#N)s1)CC2 ZINC001254874838 1040620261 /nfs/dbraw/zinc/62/02/61/1040620261.db2.gz JZENJLBGOWRALT-UHFFFAOYSA-N 1 0 376.526 3.674 20 30 GHEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2Br)CC1 ZINC001255162550 1040881109 /nfs/dbraw/zinc/88/11/09/1040881109.db2.gz SJKBEKLVCMWHMW-RBSFLKMASA-N 1 0 378.314 3.772 20 30 GHEDRO C#CC[C@H](NC(=O)OC(C)(C)C)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255375630 1040968558 /nfs/dbraw/zinc/96/85/58/1040968558.db2.gz LFZDRJNWUUYDOQ-MSOLQXFVSA-N 1 0 396.491 3.648 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001235514424 1040970362 /nfs/dbraw/zinc/97/03/62/1040970362.db2.gz PAZKMCJIDSPLDA-RUZDIDTESA-N 1 0 387.527 3.810 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001255919141 1041405716 /nfs/dbraw/zinc/40/57/16/1041405716.db2.gz INCWKUFUUFFWGZ-UYAOXDASSA-N 1 0 385.508 3.801 20 30 GHEDRO CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001255997582 1041468469 /nfs/dbraw/zinc/46/84/69/1041468469.db2.gz LQKGRTOKNXTJOF-JOCHJYFZSA-N 1 0 388.508 3.900 20 30 GHEDRO COC(OC)c1c(/C=N/O)ccnc1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236007252 1041498681 /nfs/dbraw/zinc/49/86/81/1041498681.db2.gz ZESKBTASIKTMHT-ZMOGYAJESA-N 1 0 387.455 3.973 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@H](C)Cc3cccc(Br)c3)C2)C1=O ZINC001256182081 1041627541 /nfs/dbraw/zinc/62/75/41/1041627541.db2.gz HUVSYPBOVNPJAA-OXQOHEQNSA-N 1 0 391.353 3.881 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](C3CCC(OCC)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001256439460 1041733308 /nfs/dbraw/zinc/73/33/08/1041733308.db2.gz WFQJNRDFMQSSTA-ICOILDSSSA-N 1 0 382.548 3.838 20 30 GHEDRO Cc1ccc(CN(Cc2ccc(N(C)C)c(C#N)c2F)C2CC[NH2+]CC2)c(F)c1 ZINC001236495455 1041739043 /nfs/dbraw/zinc/73/90/43/1041739043.db2.gz FLOXPIBSDHKBLA-UHFFFAOYSA-N 1 0 398.501 3.965 20 30 GHEDRO N#Cc1cc(CN(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(F)cc1F ZINC001236504471 1041743654 /nfs/dbraw/zinc/74/36/54/1041743654.db2.gz LZEUHVOHFJNGAV-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO Cc1c(Br)cccc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001236604638 1041777455 /nfs/dbraw/zinc/77/74/55/1041777455.db2.gz GPWRKKKMNWBGKC-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cc(F)cc3c1OCCC3)CCO2 ZINC001236619947 1041786551 /nfs/dbraw/zinc/78/65/51/1041786551.db2.gz RRNCAKDKIHKNHB-SIKLNZKXSA-N 1 0 375.484 3.724 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cnc(OCC)c(F)c3)C2)CC1 ZINC001236691558 1041833916 /nfs/dbraw/zinc/83/39/16/1041833916.db2.gz WOWSDHIWZKFVBR-UHFFFAOYSA-N 1 0 391.487 3.620 20 30 GHEDRO COc1cc(C#N)ccc1CN1CC[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236816463 1041914150 /nfs/dbraw/zinc/91/41/50/1041914150.db2.gz YIAWKXVOMDCDLI-SFHVURJKSA-N 1 0 375.394 3.732 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H](N3Cc4ccccc4C3=O)C2)cc1Br ZINC001236861896 1041932565 /nfs/dbraw/zinc/93/25/65/1041932565.db2.gz XHZOVPNICVYKOR-KRWDZBQOSA-N 1 0 396.288 3.551 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1Br ZINC001236863389 1041933029 /nfs/dbraw/zinc/93/30/29/1041933029.db2.gz JVDPKBBSMQREJP-QGZVFWFLSA-N 1 0 390.325 3.545 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1Cl)C2 ZINC001236918519 1041958067 /nfs/dbraw/zinc/95/80/67/1041958067.db2.gz CIQUSQRSXNORPJ-CTNGQTDRSA-N 1 0 387.911 3.852 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(F)c(N2CCN(C)CC2)c1)[C@@H]1CCc2ccccc21 ZINC001236973717 1041973540 /nfs/dbraw/zinc/97/35/40/1041973540.db2.gz MXEPWPFGNUOULI-HSZRJFAPSA-N 1 0 377.507 3.700 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(O)cc(F)c3)C[C@@H]2c2ccccc2)C1=O ZINC001237278243 1042120409 /nfs/dbraw/zinc/12/04/09/1042120409.db2.gz KWPWQETWYUGGSM-GGAORHGYSA-N 1 0 380.463 3.535 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(I)c1 ZINC001237378379 1042177221 /nfs/dbraw/zinc/17/72/21/1042177221.db2.gz ACTQHZWCOKNBSM-UHFFFAOYSA-N 1 0 380.204 3.934 20 30 GHEDRO Cn1cc(C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237468102 1042221193 /nfs/dbraw/zinc/22/11/93/1042221193.db2.gz LFDSAEXQEWRJNY-SFHVURJKSA-N 1 0 382.508 3.881 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237473570 1042224622 /nfs/dbraw/zinc/22/46/22/1042224622.db2.gz OBFPEUTUKKVJCL-ZWKOTPCHSA-N 1 0 394.519 3.739 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Cl)c3ccccc3[nH]c1=O)C2 ZINC001237500964 1042238366 /nfs/dbraw/zinc/23/83/66/1042238366.db2.gz NDELWWIVYXMFTD-BTYIYWSLSA-N 1 0 388.895 3.920 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cc(C#N)c(F)cc3F)CC[C@@H]2C1 ZINC001237524488 1042249888 /nfs/dbraw/zinc/24/98/88/1042249888.db2.gz IYRDUPIKJUFFSP-CZUORRHYSA-N 1 0 377.435 3.525 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(F)cc1F ZINC001237527156 1042252195 /nfs/dbraw/zinc/25/21/95/1042252195.db2.gz JLMYOGZEKXBNME-JOCHJYFZSA-N 1 0 399.416 3.600 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cnc(C)c(Br)c1)C2 ZINC001237553641 1042261502 /nfs/dbraw/zinc/26/15/02/1042261502.db2.gz XKVGDCRPZDWAGB-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)c1 ZINC001237747814 1042351129 /nfs/dbraw/zinc/35/11/29/1042351129.db2.gz DMTYNKYQXOVNSB-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001237747403 1042351361 /nfs/dbraw/zinc/35/13/61/1042351361.db2.gz BCBVSNUUDZRTEZ-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO CCOc1cc(F)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001237915386 1042420846 /nfs/dbraw/zinc/42/08/46/1042420846.db2.gz REHRXOSZFAJUID-QHCPKHFHSA-N 1 0 393.462 3.725 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc(F)c(Cl)cc4[O-])C3)CC2=O)c1 ZINC001237936038 1042427381 /nfs/dbraw/zinc/42/73/81/1042427381.db2.gz FSSSNFAEGRHCMN-NRFANRHFSA-N 1 0 399.853 3.685 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c(Cl)c1 ZINC001238081825 1042484923 /nfs/dbraw/zinc/48/49/23/1042484923.db2.gz DRTYZBYCKSDANT-UHFFFAOYSA-N 1 0 379.891 3.666 20 30 GHEDRO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC001238414927 1042588656 /nfs/dbraw/zinc/58/86/56/1042588656.db2.gz YSIHTXFKGZCHRW-UNMCSNQZSA-N 1 0 378.472 3.878 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC001238414922 1042588921 /nfs/dbraw/zinc/58/89/21/1042588921.db2.gz YSIHTXFKGZCHRW-RBBKRZOGSA-N 1 0 378.472 3.878 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2-c2ccncc2)C1 ZINC001238659591 1042674465 /nfs/dbraw/zinc/67/44/65/1042674465.db2.gz WFQYGBATEWINBL-LJQANCHMSA-N 1 0 381.476 3.634 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)ccc1C#N ZINC001238760658 1042717934 /nfs/dbraw/zinc/71/79/34/1042717934.db2.gz NMTGCMIOXOOGDU-ISKFKSNPSA-N 1 0 391.515 3.966 20 30 GHEDRO Cc1cc(OCc2ccccc2)ncc1-c1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001238869370 1042743563 /nfs/dbraw/zinc/74/35/63/1042743563.db2.gz GJBRPVZVHDSIMF-UHFFFAOYSA-N 1 0 384.483 3.917 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001239033992 1042760748 /nfs/dbraw/zinc/76/07/48/1042760748.db2.gz YDRXEWBLGXTWTQ-UHFFFAOYSA-N 1 0 378.582 3.814 20 30 GHEDRO CCCCCCCCS(=O)(=O)N(Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001239100460 1042765965 /nfs/dbraw/zinc/76/59/65/1042765965.db2.gz XJEBSQCWNSQJTL-WOJBJXKFSA-N 1 0 384.561 3.879 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccnc2N2CC[C@@H]([NH3+])C2)c1 ZINC001239185670 1042782089 /nfs/dbraw/zinc/78/20/89/1042782089.db2.gz XXTHSPVDEMMMIX-GOSISDBHSA-N 1 0 379.508 3.709 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1C#N)CC21CC[NH2+]CC1 ZINC001239362689 1042813339 /nfs/dbraw/zinc/81/33/39/1042813339.db2.gz LCIZEXGYCDHCNA-HXUWFJFHSA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@]3(CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239419937 1042825192 /nfs/dbraw/zinc/82/51/92/1042825192.db2.gz VBPSFDSHGSFLSG-KRWDZBQOSA-N 1 0 382.455 3.739 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCCC[C@@]23CCC[NH2+]C3)cc1C(F)(F)F ZINC001239427734 1042827087 /nfs/dbraw/zinc/82/70/87/1042827087.db2.gz ICJYPSFTGVKPFZ-KRWDZBQOSA-N 1 0 382.455 3.882 20 30 GHEDRO Cc1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1NC(=O)c1cccc(C#N)c1 ZINC001240489909 1042936350 /nfs/dbraw/zinc/93/63/50/1042936350.db2.gz RHKGPXCFSCUNSI-UHFFFAOYSA-N 1 0 397.482 3.591 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291181073 1043143305 /nfs/dbraw/zinc/14/33/05/1043143305.db2.gz XJYWFBCQIYKIBO-SFHVURJKSA-N 1 0 383.544 3.524 20 30 GHEDRO C=CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1)c1ccccc1 ZINC001256504399 1043436605 /nfs/dbraw/zinc/43/66/05/1043436605.db2.gz CJORBGVHRYEETR-OTWHNJEPSA-N 1 0 388.508 3.835 20 30 GHEDRO C[C@@H]1C[C@H](N[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522376 1043448020 /nfs/dbraw/zinc/44/80/20/1043448020.db2.gz FWQPXLXSKHBPSP-XQFWAAQXSA-N 1 0 398.551 3.532 20 30 GHEDRO C=CCOCc1ncn2c1CN([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CCC2 ZINC001256542921 1043495913 /nfs/dbraw/zinc/49/59/13/1043495913.db2.gz LPKVJMULCHBXGB-UNMCSNQZSA-N 1 0 394.563 3.845 20 30 GHEDRO CCC1CCC([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)CC1 ZINC001256870952 1043712593 /nfs/dbraw/zinc/71/25/93/1043712593.db2.gz CNLMHONBAIOFOL-POOLCLQXSA-N 1 0 382.552 3.841 20 30 GHEDRO N#CC1CCC([NH+]2CCC3(CC2)C(=O)Nc2cc(Br)ccc23)CC1 ZINC001256963198 1043774464 /nfs/dbraw/zinc/77/44/64/1043774464.db2.gz CSJXINFUWXHYNJ-UHFFFAOYSA-N 1 0 388.309 3.817 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](C3CCC(C#N)CC3)CC2)c2ccc(C)cc21 ZINC001256968719 1043776598 /nfs/dbraw/zinc/77/65/98/1043776598.db2.gz ZESDRKFORYCSMR-WIXQSORDSA-N 1 0 380.536 3.785 20 30 GHEDRO N#CC1CCC(N2CCn3c(-c4ccccc4)cnc3C23CC[NH2+]CC3)CC1 ZINC001256968048 1043777063 /nfs/dbraw/zinc/77/70/63/1043777063.db2.gz PQLDFLNQUWRHMO-UHFFFAOYSA-N 1 0 375.520 3.527 20 30 GHEDRO CS(=O)(=O)N(c1ccccc1C[NH3+])C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015154 1043800731 /nfs/dbraw/zinc/80/07/31/1043800731.db2.gz UXENINUUBYEDRW-UHFFFAOYSA-N 1 0 383.517 3.509 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCC(OCC(=O)N4CCCC4)CC3)CC2)cc1 ZINC001257023351 1043807584 /nfs/dbraw/zinc/80/75/84/1043807584.db2.gz ZTCWJVMXRUEVKF-UHFFFAOYSA-N 1 0 395.547 3.688 20 30 GHEDRO CC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257142199 1043892084 /nfs/dbraw/zinc/89/20/84/1043892084.db2.gz KZQGQFBFIOGFED-CTNGQTDRSA-N 1 0 398.551 3.858 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](C)Cc1ccc(C(=O)OCC)cc1)C2 ZINC001257162500 1043909081 /nfs/dbraw/zinc/90/90/81/1043909081.db2.gz ZWGCKSBGEKVADY-YADARESESA-N 1 0 398.547 3.827 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001293364663 1044138003 /nfs/dbraw/zinc/13/80/03/1044138003.db2.gz HGHAYOLHINPPSL-GCJKJVERSA-N 1 0 395.555 3.668 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C3CCN(C(=O)c4ccc(C(=O)OC)cc4)CC3)C[C@H](C1)C2 ZINC001257890664 1044246491 /nfs/dbraw/zinc/24/64/91/1044246491.db2.gz UPKZHZIDEHEBFN-VSOVRNOCSA-N 1 0 396.531 3.802 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC(CC(=O)OCC)CC1)CCO2 ZINC001258032562 1044357827 /nfs/dbraw/zinc/35/78/27/1044357827.db2.gz CCYYHMMEWPSSHX-ZKNLVJASSA-N 1 0 379.541 3.572 20 30 GHEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C ZINC001258044324 1044367163 /nfs/dbraw/zinc/36/71/63/1044367163.db2.gz LTJDPMPTMJZYDA-RTBURBONSA-N 1 0 390.572 3.755 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+]C1CCC2(CCC(=O)N2CC(=O)N(C)C)CC1 ZINC001258042756 1044367229 /nfs/dbraw/zinc/36/72/29/1044367229.db2.gz XPGJHYKOKAPSLC-FLPIEVNYSA-N 1 0 379.589 3.717 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+]([C@H](C)CCC=C(C)C)CC1 ZINC001258100536 1044395413 /nfs/dbraw/zinc/39/54/13/1044395413.db2.gz YNEJOQNCZLTHJI-QGZVFWFLSA-N 1 0 384.524 3.695 20 30 GHEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001258228021 1044477603 /nfs/dbraw/zinc/47/76/03/1044477603.db2.gz CIYYXKRLQQCFQM-SIKLNZKXSA-N 1 0 379.589 3.719 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258524095 1044602885 /nfs/dbraw/zinc/60/28/85/1044602885.db2.gz WGCOKVIQDZMQRK-QFIPXVFZSA-N 1 0 390.568 3.731 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CC1(C)C ZINC001258564837 1044644121 /nfs/dbraw/zinc/64/41/21/1044644121.db2.gz PYIDZUVGPLCDGP-HXUWFJFHSA-N 1 0 398.551 3.858 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C#N)CC1 ZINC001294698921 1044768377 /nfs/dbraw/zinc/76/83/77/1044768377.db2.gz LDDKVHUKXLMUQI-LJQANCHMSA-N 1 0 396.539 3.851 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(C)c(C#N)c(C)c2)cc1 ZINC001295212191 1044951650 /nfs/dbraw/zinc/95/16/50/1044951650.db2.gz NFLLTKQZFAUVGE-QFIPXVFZSA-N 1 0 377.488 3.751 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001295367048 1044990148 /nfs/dbraw/zinc/99/01/48/1044990148.db2.gz SDIAGHGIHBUPFT-LSTHTHJFSA-N 1 0 378.524 3.536 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[C@@H]2C)C1 ZINC001295505571 1045037410 /nfs/dbraw/zinc/03/74/10/1045037410.db2.gz FFELOELXGMZOJL-HFSMHLIXSA-N 1 0 392.551 3.641 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC001462892660 1070632853 /nfs/dbraw/zinc/63/28/53/1070632853.db2.gz QWGBHXHFNASBPY-UHFFFAOYSA-N 1 0 391.581 3.853 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 ZINC001296059995 1045236777 /nfs/dbraw/zinc/23/67/77/1045236777.db2.gz KBFOBDAGHCQMEN-IBGZPJMESA-N 1 0 398.942 3.823 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001296881026 1045391435 /nfs/dbraw/zinc/39/14/35/1045391435.db2.gz NWGVNUUDWYYVQW-KCQSEKJDSA-N 1 0 394.490 3.825 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001297409114 1045513594 /nfs/dbraw/zinc/51/35/94/1045513594.db2.gz FLFSMOGOPGEXTE-UHFFFAOYSA-N 1 0 392.503 3.522 20 30 GHEDRO C=CCC1(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC001297692310 1045603873 /nfs/dbraw/zinc/60/38/73/1045603873.db2.gz NULJCYGGIWEPEP-HSZRJFAPSA-N 1 0 395.591 3.932 20 30 GHEDRO CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)C[NH+](C)C ZINC001298069349 1045693863 /nfs/dbraw/zinc/69/38/63/1045693863.db2.gz APMWNQFIZMADEN-UHFFFAOYSA-N 1 0 398.530 3.589 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300801577 1046170572 /nfs/dbraw/zinc/17/05/72/1046170572.db2.gz SKPUJEDMYWCQPV-DYESRHJHSA-N 1 0 383.565 3.902 20 30 GHEDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001262591032 1046275045 /nfs/dbraw/zinc/27/50/45/1046275045.db2.gz CYCAFSDMZMSSEC-DYESRHJHSA-N 1 0 394.494 3.655 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001301035005 1046299627 /nfs/dbraw/zinc/29/96/27/1046299627.db2.gz YJOJZAZJMOKCJE-UHFFFAOYSA-N 1 0 386.931 3.547 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC001301038025 1046301895 /nfs/dbraw/zinc/30/18/95/1046301895.db2.gz HJGQGADXDUBBPO-XASXRRJKSA-N 1 0 384.520 3.796 20 30 GHEDRO C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001301040630 1046303185 /nfs/dbraw/zinc/30/31/85/1046303185.db2.gz HTFXMDYKQUOIFT-CRAIPNDOSA-N 1 0 393.963 3.583 20 30 GHEDRO C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001301040103 1046303213 /nfs/dbraw/zinc/30/32/13/1046303213.db2.gz CLFLPKASPYXNPX-MSOLQXFVSA-N 1 0 393.963 3.584 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCCC2)CC1 ZINC001301113797 1046349977 /nfs/dbraw/zinc/34/99/77/1046349977.db2.gz GQZPGQDTYCDVDF-UHFFFAOYSA-N 1 0 395.551 3.842 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001301119060 1046355104 /nfs/dbraw/zinc/35/51/04/1046355104.db2.gz ULLQFTCLPYYCEW-GOSISDBHSA-N 1 0 394.567 3.783 20 30 GHEDRO C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301227368 1046415727 /nfs/dbraw/zinc/41/57/27/1046415727.db2.gz QTGNEIMJIDXQPU-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301231785 1046419134 /nfs/dbraw/zinc/41/91/34/1046419134.db2.gz PZCDFASGXDXKLS-VQTJNVASSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)CC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001301267877 1046440477 /nfs/dbraw/zinc/44/04/77/1046440477.db2.gz CJLUZDYNPPXLLV-KRWDZBQOSA-N 1 0 377.602 3.775 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001301273318 1046444854 /nfs/dbraw/zinc/44/48/54/1046444854.db2.gz QJEAMHWPUNXAHR-VQTJNVASSA-N 1 0 397.567 3.999 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2OCCCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262969734 1046458625 /nfs/dbraw/zinc/45/86/25/1046458625.db2.gz POIUUVJXYDFWPH-OALUTQOASA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001301293311 1046459566 /nfs/dbraw/zinc/45/95/66/1046459566.db2.gz BIRYSINULLQQAK-RTWAWAEBSA-N 1 0 395.551 3.631 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001301299569 1046463632 /nfs/dbraw/zinc/46/36/32/1046463632.db2.gz NYEQJKXAVWUVNF-FQEVSTJZSA-N 1 0 397.567 3.620 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001301327947 1046491844 /nfs/dbraw/zinc/49/18/44/1046491844.db2.gz MGGGKBIVXQSWER-INIZCTEOSA-N 1 0 383.355 3.650 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(Nc2cnn(C)c2)nnc1C(C)(C)C)C(C)C ZINC001301370452 1046511924 /nfs/dbraw/zinc/51/19/24/1046511924.db2.gz CQRFHGHWYKWQCW-GOSISDBHSA-N 1 0 385.560 3.751 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001263026458 1046513986 /nfs/dbraw/zinc/51/39/86/1046513986.db2.gz PSGYEWTWZRGMDO-QHCPKHFHSA-N 1 0 392.551 3.808 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001301539339 1046587168 /nfs/dbraw/zinc/58/71/68/1046587168.db2.gz QXSWGIYGYDKRJO-HSALFYBXSA-N 1 0 389.588 3.695 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C12CCC2 ZINC001301546935 1046591117 /nfs/dbraw/zinc/59/11/17/1046591117.db2.gz KSGSXKKUOSZUHY-FGZHOGPDSA-N 1 0 389.499 3.740 20 30 GHEDRO C=C(C)Cn1c([C@H]2COc3ccccc32)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001263278318 1046671024 /nfs/dbraw/zinc/67/10/24/1046671024.db2.gz HPGUOFDNJBBZSZ-FQEVSTJZSA-N 1 0 395.551 3.689 20 30 GHEDRO CC(C)[N@@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C#N ZINC001301965300 1046764981 /nfs/dbraw/zinc/76/49/81/1046764981.db2.gz IWDKMHIZIVDSET-QGZVFWFLSA-N 1 0 393.539 3.753 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001301975291 1046771883 /nfs/dbraw/zinc/77/18/83/1046771883.db2.gz UCMIPQXEAOUJPS-MOPGFXCFSA-N 1 0 388.604 3.975 20 30 GHEDRO CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001303044911 1047259293 /nfs/dbraw/zinc/25/92/93/1047259293.db2.gz IETCIQPJXKFIDD-UHFFFAOYSA-N 1 0 378.524 3.561 20 30 GHEDRO CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001303177545 1047305771 /nfs/dbraw/zinc/30/57/71/1047305771.db2.gz UKVZUAPPEDMEBO-RBUKOAKNSA-N 1 0 395.588 3.841 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001264523765 1047366895 /nfs/dbraw/zinc/36/68/95/1047366895.db2.gz ZASQMRCVFCZWKO-FQEVSTJZSA-N 1 0 388.552 3.675 20 30 GHEDRO C[C@H](Sc1ccc(F)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001264578254 1047382247 /nfs/dbraw/zinc/38/22/47/1047382247.db2.gz NTAYEQHNJGJGAB-INIZCTEOSA-N 1 0 385.508 3.768 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001303639272 1047461917 /nfs/dbraw/zinc/46/19/17/1047461917.db2.gz DNZDESRRBMBXDW-KRWDZBQOSA-N 1 0 398.530 3.621 20 30 GHEDRO C#CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CCCc2ccccc21 ZINC001304065335 1047576578 /nfs/dbraw/zinc/57/65/78/1047576578.db2.gz BEROGJYVBZEMIY-VWNXMTODSA-N 1 0 387.527 3.833 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[N@H+]2CCCC[C@H]2C)o1 ZINC001304312636 1047641967 /nfs/dbraw/zinc/64/19/67/1047641967.db2.gz RTMHORZZJXIFID-QGZVFWFLSA-N 1 0 396.539 3.851 20 30 GHEDRO C[C@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304954335 1047819862 /nfs/dbraw/zinc/81/98/62/1047819862.db2.gz XJEKKCBNJRWUDS-QFBILLFUSA-N 1 0 378.524 3.708 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1 ZINC001305060203 1047867094 /nfs/dbraw/zinc/86/70/94/1047867094.db2.gz PUMIKGODNLKRIB-INIZCTEOSA-N 1 0 398.942 3.823 20 30 GHEDRO C[C@@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001305066778 1047869926 /nfs/dbraw/zinc/86/99/26/1047869926.db2.gz OIVHWWRUWUKWEQ-PGRDOPGGSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001305066774 1047870466 /nfs/dbraw/zinc/87/04/66/1047870466.db2.gz OIVHWWRUWUKWEQ-AVRDEDQJSA-N 1 0 386.588 3.826 20 30 GHEDRO CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCCC2)CC1 ZINC001305080303 1047882426 /nfs/dbraw/zinc/88/24/26/1047882426.db2.gz XSIYKEYDVOBVPB-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO N#CCC1CN(C(=O)[C@@]23C[C@@H]2C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C3)C1 ZINC001280053793 1048065116 /nfs/dbraw/zinc/06/51/16/1048065116.db2.gz DFKWFDSHNRWOFW-OXQOHEQNSA-N 1 0 392.330 3.620 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)SCC[C@H]3C(=O)N2CCCCO2)CC1 ZINC001280234580 1048139781 /nfs/dbraw/zinc/13/97/81/1048139781.db2.gz LSYBOBUTYCZMGB-MOPGFXCFSA-N 1 0 376.566 3.651 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCC1 ZINC001305606025 1048178420 /nfs/dbraw/zinc/17/84/20/1048178420.db2.gz IFCCOXISJRJVPC-KRWDZBQOSA-N 1 0 380.540 3.783 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[NH+](CC)CC ZINC001286287456 1048256472 /nfs/dbraw/zinc/25/64/72/1048256472.db2.gz NYLSNUSSVOUKDP-GOSISDBHSA-N 1 0 390.535 3.621 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001286305631 1048266259 /nfs/dbraw/zinc/26/62/59/1048266259.db2.gz UCFBBIUYSZUVTO-QGZVFWFLSA-N 1 0 397.592 3.662 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)CC)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001286361305 1048288755 /nfs/dbraw/zinc/28/87/55/1048288755.db2.gz NMDQJYPTKOXMLJ-SFHVURJKSA-N 1 0 379.552 3.698 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCCCC1 ZINC001286361666 1048288949 /nfs/dbraw/zinc/28/89/49/1048288949.db2.gz RSRPLOJOMXEBGI-HXUWFJFHSA-N 1 0 395.551 3.590 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[N@H+]1CC ZINC001286423550 1048314431 /nfs/dbraw/zinc/31/44/31/1048314431.db2.gz LFMWGFFIECZDHJ-GOSISDBHSA-N 1 0 395.938 3.546 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001286442642 1048325783 /nfs/dbraw/zinc/32/57/83/1048325783.db2.gz IAQWUARVGULJPW-OAQYLSRUSA-N 1 0 394.567 3.619 20 30 GHEDRO C#CCN(CC)c1nnc(CC)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001286446303 1048326178 /nfs/dbraw/zinc/32/61/78/1048326178.db2.gz HAGZRXWEWXQVMP-CTNGQTDRSA-N 1 0 379.552 3.601 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2F)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286448251 1048328675 /nfs/dbraw/zinc/32/86/75/1048328675.db2.gz ZDHLNTATGOSPBH-UHFFFAOYSA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC(C)(C)C[NH+](C)C ZINC001286454567 1048331117 /nfs/dbraw/zinc/33/11/17/1048331117.db2.gz KPNIIWLKIYMKED-UHFFFAOYSA-N 1 0 385.531 3.768 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)C[NH+](C)C ZINC001286523615 1048349304 /nfs/dbraw/zinc/34/93/04/1048349304.db2.gz ATDVMSJKLZQDQV-XMMPIXPASA-N 1 0 393.579 3.757 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC[N@@H+](CC)CCC ZINC001286524642 1048350712 /nfs/dbraw/zinc/35/07/12/1048350712.db2.gz NOGQLJNGQQLVFX-HSZRJFAPSA-N 1 0 397.542 3.732 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)[NH+](C)C ZINC001286567701 1048367432 /nfs/dbraw/zinc/36/74/32/1048367432.db2.gz WXCAJNAZJHPJDY-OAHLLOKOSA-N 1 0 393.482 3.899 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286591189 1048378210 /nfs/dbraw/zinc/37/82/10/1048378210.db2.gz CMBBXYVYNDDYFQ-UHFFFAOYSA-N 1 0 392.551 3.951 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001286591686 1048378490 /nfs/dbraw/zinc/37/84/90/1048378490.db2.gz UCEOUNAJBZELHD-FQEVSTJZSA-N 1 0 390.535 3.950 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001286653500 1048420047 /nfs/dbraw/zinc/42/00/47/1048420047.db2.gz AQSQGDSGLDYHMS-LJQANCHMSA-N 1 0 394.567 3.865 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286655958 1048423782 /nfs/dbraw/zinc/42/37/82/1048423782.db2.gz UJDDFQIMXOPFDA-INIZCTEOSA-N 1 0 383.515 3.969 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286661557 1048427904 /nfs/dbraw/zinc/42/79/04/1048427904.db2.gz GWFPMROFYYGNCD-UHFFFAOYSA-N 1 0 394.567 3.865 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCCC1 ZINC001286713696 1048470056 /nfs/dbraw/zinc/47/00/56/1048470056.db2.gz HYJHWZIEMWBQRR-LJQANCHMSA-N 1 0 383.540 3.753 20 30 GHEDRO C=CCCOCCn1c(N2CC[NH+](C3CCCCC3)CC2)nnc1C(C)(C)C ZINC001286716331 1048472330 /nfs/dbraw/zinc/47/23/30/1048472330.db2.gz KQSZBDPJDWLQED-UHFFFAOYSA-N 1 0 389.588 3.623 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CC1)[NH+](C)C ZINC001286719380 1048474260 /nfs/dbraw/zinc/47/42/60/1048474260.db2.gz LTLWYBPMSDTRDI-QGZVFWFLSA-N 1 0 377.895 3.700 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001286729504 1048485952 /nfs/dbraw/zinc/48/59/52/1048485952.db2.gz VZLHEZIVOXOHJJ-IAGOWNOFSA-N 1 0 387.553 3.650 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1CC1([NH+](C)C)CCCCC1)C1CC1 ZINC001286733681 1048491328 /nfs/dbraw/zinc/49/13/28/1048491328.db2.gz FSTLZQQDDYHPJG-UHFFFAOYSA-N 1 0 380.540 3.759 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C)C1)C(C)C ZINC001286751694 1048505102 /nfs/dbraw/zinc/50/51/02/1048505102.db2.gz SOHOWOKRPBPRCD-CTNGQTDRSA-N 1 0 394.567 3.885 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N(C)C1Cc2ccccc2C1)C(C)C ZINC001286751689 1048505122 /nfs/dbraw/zinc/50/51/22/1048505122.db2.gz SKEQOPXGYANMSL-HSZRJFAPSA-N 1 0 393.579 3.889 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001286803504 1048531108 /nfs/dbraw/zinc/53/11/08/1048531108.db2.gz FWEQRVATLDMWBT-SFTDATJTSA-N 1 0 395.551 3.601 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)C1 ZINC001286809227 1048535561 /nfs/dbraw/zinc/53/55/61/1048535561.db2.gz HLHUSMZGHNPUQF-HXUWFJFHSA-N 1 0 387.572 3.593 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCC[N@H+](C)C1CCCCC1 ZINC001286964793 1048557141 /nfs/dbraw/zinc/55/71/41/1048557141.db2.gz LQNPFTOGIJRIJI-SFHVURJKSA-N 1 0 397.571 3.534 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001306320268 1048565407 /nfs/dbraw/zinc/56/54/07/1048565407.db2.gz SLTXYBMOVLXXCK-UYAOXDASSA-N 1 0 380.540 3.805 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccc(C#N)o1 ZINC001287006921 1048571491 /nfs/dbraw/zinc/57/14/91/1048571491.db2.gz LZJCWVOXAAAJRG-UHFFFAOYSA-N 1 0 396.539 3.543 20 30 GHEDRO CC(C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001287198030 1048646046 /nfs/dbraw/zinc/64/60/46/1048646046.db2.gz VPFOKBLBDGDMCR-FQEVSTJZSA-N 1 0 380.540 3.834 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001287237946 1048676204 /nfs/dbraw/zinc/67/62/04/1048676204.db2.gz CRLDJPQTESVLAH-OAQYLSRUSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001287407435 1048761890 /nfs/dbraw/zinc/76/18/90/1048761890.db2.gz NQJMIMUQKAEXSX-RTBURBONSA-N 1 0 386.588 3.727 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)C[C@H](C)C#N ZINC001306722484 1048849308 /nfs/dbraw/zinc/84/93/08/1048849308.db2.gz HXGSWHNUPZLUFH-RTBURBONSA-N 1 0 397.571 3.534 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001287910817 1048943114 /nfs/dbraw/zinc/94/31/14/1048943114.db2.gz BUGKKBNYJIDULV-ICSRJNTNSA-N 1 0 378.524 3.536 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCCC2)C1 ZINC001287913231 1048944137 /nfs/dbraw/zinc/94/41/37/1048944137.db2.gz XJQCXQKLRJBOAL-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO N#Cc1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1Br ZINC001306938373 1048969031 /nfs/dbraw/zinc/96/90/31/1048969031.db2.gz ARNPYPSDGWUPSN-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)c(Br)c1 ZINC001306980348 1048990705 /nfs/dbraw/zinc/99/07/05/1048990705.db2.gz WWNPCNVDVVJABX-UHFFFAOYSA-N 1 0 399.336 3.579 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001306993190 1048996282 /nfs/dbraw/zinc/99/62/82/1048996282.db2.gz WFHMGGNGZPQWRN-HKUYNNGSSA-N 1 0 391.475 3.540 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ncc(C#N)cc1Cl ZINC001306994227 1048997121 /nfs/dbraw/zinc/99/71/21/1048997121.db2.gz VRWJHGVTPAPZKZ-UHFFFAOYSA-N 1 0 393.716 3.937 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001307038219 1049030927 /nfs/dbraw/zinc/03/09/27/1049030927.db2.gz CGCDIWCPRNDGRE-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001307195335 1049131297 /nfs/dbraw/zinc/13/12/97/1049131297.db2.gz ICSMGCURLBWBHT-OAHLLOKOSA-N 1 0 382.389 3.545 20 30 GHEDRO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001288692014 1049201684 /nfs/dbraw/zinc/20/16/84/1049201684.db2.gz YSNQSDXGVRZNDN-XXBNENTESA-N 1 0 398.599 3.873 20 30 GHEDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001307433953 1049271979 /nfs/dbraw/zinc/27/19/79/1049271979.db2.gz OLVOMRSSLYIYNS-SNVBAGLBSA-N 1 0 376.247 3.806 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC001307480238 1049318379 /nfs/dbraw/zinc/31/83/79/1049318379.db2.gz TZNXKFIZVUJHMJ-QFIPXVFZSA-N 1 0 382.479 3.827 20 30 GHEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001307484779 1049324399 /nfs/dbraw/zinc/32/43/99/1049324399.db2.gz QVNFHAKDSZSLEC-FQEVSTJZSA-N 1 0 379.508 3.973 20 30 GHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC001307500404 1049340803 /nfs/dbraw/zinc/34/08/03/1049340803.db2.gz RMPJERZLYZJVQY-VXKWHMMOSA-N 1 0 377.488 3.541 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001307773314 1049582584 /nfs/dbraw/zinc/58/25/84/1049582584.db2.gz GRDQOLLPDNKQPN-HXUWFJFHSA-N 1 0 396.849 3.819 20 30 GHEDRO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001307837934 1049624505 /nfs/dbraw/zinc/62/45/05/1049624505.db2.gz OUVWPOYNYYCJSY-AWVYRSRRSA-N 1 0 377.573 3.878 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1F ZINC001307896569 1049674784 /nfs/dbraw/zinc/67/47/84/1049674784.db2.gz MHPKHFIHLNIZRH-IBGZPJMESA-N 1 0 377.423 3.562 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CC[NH+](CCSc4ccccc4)CC3)n[nH]2)cc1 ZINC001307908362 1049686113 /nfs/dbraw/zinc/68/61/13/1049686113.db2.gz MDHQPAQMBWTLDM-UHFFFAOYSA-N 1 0 389.528 3.863 20 30 GHEDRO CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001307918223 1049694388 /nfs/dbraw/zinc/69/43/88/1049694388.db2.gz HSCGXIRFJAFDNQ-RUZDIDTESA-N 1 0 386.495 3.773 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](Cc3cc(C#N)ccn3)CC2)C1 ZINC001307924175 1049698736 /nfs/dbraw/zinc/69/87/36/1049698736.db2.gz PZMAFINONAPECW-LJQANCHMSA-N 1 0 384.524 3.812 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001307947658 1049716522 /nfs/dbraw/zinc/71/65/22/1049716522.db2.gz OHVHRNDOHJMFBE-QKBUSNMPSA-N 1 0 383.536 3.982 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290110741 1049734836 /nfs/dbraw/zinc/73/48/36/1049734836.db2.gz GQXJYCPZUMOFSI-HXUWFJFHSA-N 1 0 394.567 3.970 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1Cl ZINC001308024191 1049775147 /nfs/dbraw/zinc/77/51/47/1049775147.db2.gz BEYIIYWKOCOLSP-IHPCNDPISA-N 1 0 389.927 3.521 20 30 GHEDRO CN(CC(=O)Nc1sccc1C#N)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001308028865 1049779362 /nfs/dbraw/zinc/77/93/62/1049779362.db2.gz YWWTUMKRNGZPBP-LJQANCHMSA-N 1 0 382.533 3.545 20 30 GHEDRO C=CCCC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC001308040234 1049790894 /nfs/dbraw/zinc/79/08/94/1049790894.db2.gz KMGVXULJGMMQMD-QFIPXVFZSA-N 1 0 392.547 3.808 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001308040903 1049792151 /nfs/dbraw/zinc/79/21/51/1049792151.db2.gz RTYBGPABRBXELG-LEWJYISDSA-N 1 0 390.531 3.701 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)ccc1Cl ZINC001308058927 1049807869 /nfs/dbraw/zinc/80/78/69/1049807869.db2.gz KRALNJFVIMLUEO-IQGASKDCSA-N 1 0 397.906 3.535 20 30 GHEDRO C#CC[N@@H+](CCCOc1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308074795 1049820425 /nfs/dbraw/zinc/82/04/25/1049820425.db2.gz FJSPXUAFEMTCDF-UHFFFAOYSA-N 1 0 397.519 3.662 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC001290473598 1049849467 /nfs/dbraw/zinc/84/94/67/1049849467.db2.gz ZGCVUQNZIZAZOW-MRXNPFEDSA-N 1 0 381.904 3.723 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](CC#N)c1ccccc1)c1cccc(OC)c1 ZINC001290521170 1049869120 /nfs/dbraw/zinc/86/91/20/1049869120.db2.gz SJUYMAYTEIEIGZ-FCHUYYIVSA-N 1 0 379.504 3.892 20 30 GHEDRO CCO[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CC1 ZINC001308125785 1049870458 /nfs/dbraw/zinc/87/04/58/1049870458.db2.gz YSXDCUMGAILGPZ-AXFHLTTASA-N 1 0 381.307 3.904 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC001308158192 1049892135 /nfs/dbraw/zinc/89/21/35/1049892135.db2.gz MKZLERGJVUCDKC-CYBMUJFWSA-N 1 0 387.867 3.908 20 30 GHEDRO Fc1cccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c1OC(F)(F)F ZINC001308277781 1049935060 /nfs/dbraw/zinc/93/50/60/1049935060.db2.gz PJKQOEYEIKTIQV-UHFFFAOYSA-N 1 0 398.282 3.735 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(C3CCC3)nnc2N2CCC(C#N)CC2)C1 ZINC001291013988 1049971691 /nfs/dbraw/zinc/97/16/91/1049971691.db2.gz WBYJLMXOCBVWPF-QZTJIDSGSA-N 1 0 384.572 3.654 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)ccc1OC(F)F ZINC001308483118 1049986633 /nfs/dbraw/zinc/98/66/33/1049986633.db2.gz HHKSASDWIOZXJG-UHFFFAOYSA-N 1 0 387.430 3.927 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@]2(C)OCCc3ccccc32)cc1OCCCC#N ZINC001308501780 1049991704 /nfs/dbraw/zinc/99/17/04/1049991704.db2.gz MYATUPRLTCVEEG-HSZRJFAPSA-N 1 0 380.488 3.955 20 30 GHEDRO Fc1cccc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1OCC(F)(F)F ZINC001308519953 1049997358 /nfs/dbraw/zinc/99/73/58/1049997358.db2.gz ZNMPIBIEWXSTGE-PWSUYJOCSA-N 1 0 375.284 3.966 20 30 GHEDRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)ccc1C#N ZINC001308521672 1049997993 /nfs/dbraw/zinc/99/79/93/1049997993.db2.gz GHMBPJKDDDMERD-KRWDZBQOSA-N 1 0 379.451 3.849 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001308595389 1050024878 /nfs/dbraw/zinc/02/48/78/1050024878.db2.gz SCVGNQQUQKJIOP-YOFSQIOKSA-N 1 0 398.551 3.987 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1(C)C ZINC001308891177 1050142128 /nfs/dbraw/zinc/14/21/28/1050142128.db2.gz MHNHVTOWAHSXLX-PMACEKPBSA-N 1 0 398.551 3.808 20 30 GHEDRO C[NH+]1CCN(c2ccc(NCc3ccc(C#N)cc3F)c3cnccc32)CC1 ZINC001308980836 1050242360 /nfs/dbraw/zinc/24/23/60/1050242360.db2.gz FUTHRXHMYAJVOY-UHFFFAOYSA-N 1 0 375.451 3.609 20 30 GHEDRO C=CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccncc1 ZINC001328475128 1050520994 /nfs/dbraw/zinc/52/09/94/1050520994.db2.gz RGKOFFZZRKNMQS-JOCHJYFZSA-N 1 0 378.520 3.925 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC([NH+](CC)CC)CC1)c1ccc(Br)cc1 ZINC001328640365 1050570905 /nfs/dbraw/zinc/57/09/05/1050570905.db2.gz NLYGPUKCRFQBBQ-SFHVURJKSA-N 1 0 392.341 3.639 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@H]1c1ccc(F)cc1 ZINC001328707858 1050599524 /nfs/dbraw/zinc/59/95/24/1050599524.db2.gz CNTKGGDDLRKMBS-BHIFYINESA-N 1 0 392.478 3.819 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)cc1OC ZINC001328771319 1050631208 /nfs/dbraw/zinc/63/12/08/1050631208.db2.gz MHQNJEWLBNZZRU-AWEZNQCLSA-N 1 0 396.915 3.870 20 30 GHEDRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001329143617 1050733575 /nfs/dbraw/zinc/73/35/75/1050733575.db2.gz VTDKPDGYPSYEIA-OAHLLOKOSA-N 1 0 378.451 3.738 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2cnc(C(F)(F)F)c(C#N)c2)o1 ZINC001329148113 1050734675 /nfs/dbraw/zinc/73/46/75/1050734675.db2.gz ORHIQBIDQSYHPV-GFCCVEGCSA-N 1 0 379.386 3.857 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001310113060 1051162889 /nfs/dbraw/zinc/16/28/89/1051162889.db2.gz FQSZSUJHTOVXJL-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cnc(-c2ccccc2)nc1)C(C)C ZINC001310157674 1051198462 /nfs/dbraw/zinc/19/84/62/1051198462.db2.gz DARVOKBQGIFWGR-HXUWFJFHSA-N 1 0 379.508 3.964 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+]1C ZINC001310211088 1051225307 /nfs/dbraw/zinc/22/53/07/1051225307.db2.gz NWMWDVGNVOUWPH-MAUKXSAKSA-N 1 0 379.464 3.692 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1Br ZINC001310714134 1051546532 /nfs/dbraw/zinc/54/65/32/1051546532.db2.gz ZXFGAGBMPYWPTE-KRWDZBQOSA-N 1 0 399.292 3.717 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C ZINC001310960117 1051736312 /nfs/dbraw/zinc/73/63/12/1051736312.db2.gz FJSSPBVPOTYKMV-INIZCTEOSA-N 1 0 381.480 3.906 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)s2)C2(CCOCC2)CC1 ZINC001333857745 1051854792 /nfs/dbraw/zinc/85/47/92/1051854792.db2.gz GXPFZJDTWLXMAO-UHFFFAOYSA-N 1 0 391.537 3.612 20 30 GHEDRO C[NH+](C)CCN(C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C1CCCC1 ZINC001311146117 1051904044 /nfs/dbraw/zinc/90/40/44/1051904044.db2.gz ULTRHHKWTUNNQU-KRWDZBQOSA-N 1 0 382.430 3.677 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001335708041 1052154927 /nfs/dbraw/zinc/15/49/27/1052154927.db2.gz MSGWOFFUHXXVJU-RXVVDRJESA-N 1 0 383.517 3.702 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)C[C@@H]2C1 ZINC001336170979 1052235530 /nfs/dbraw/zinc/23/55/30/1052235530.db2.gz MLZKTMMGLVCBIH-YZGWKJHDSA-N 1 0 393.487 3.533 20 30 GHEDRO C#CCCCc1nnc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)n1Cc1cccs1 ZINC001336398340 1052266776 /nfs/dbraw/zinc/26/67/76/1052266776.db2.gz IGCAGVAWFVSUCL-IPMKNSEASA-N 1 0 397.592 3.510 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001311666104 1052313700 /nfs/dbraw/zinc/31/37/00/1052313700.db2.gz NPAXUPRXEROSPE-STZQEDGTSA-N 1 0 385.552 3.841 20 30 GHEDRO C=C(Br)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001311757805 1052377347 /nfs/dbraw/zinc/37/73/47/1052377347.db2.gz USGAOVOFWFJUTJ-HRCADAONSA-N 1 0 380.330 3.588 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3c(F)cccc3F)CCC2)CC1 ZINC001311891271 1052461080 /nfs/dbraw/zinc/46/10/80/1052461080.db2.gz KAYWBURWBDWKDZ-UHFFFAOYSA-N 1 0 377.479 3.726 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312012804 1052528746 /nfs/dbraw/zinc/52/87/46/1052528746.db2.gz QWBHIAOBXJZWKH-QHCPKHFHSA-N 1 0 390.531 3.969 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001312731444 1052851614 /nfs/dbraw/zinc/85/16/14/1052851614.db2.gz HMUIWRCZDHFFOL-YADHBBJMSA-N 1 0 397.563 3.950 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001312739946 1052854160 /nfs/dbraw/zinc/85/41/60/1052854160.db2.gz KDICFXBQSJXBBN-FKBYEOEOSA-N 1 0 382.552 3.978 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001312884274 1052902275 /nfs/dbraw/zinc/90/22/75/1052902275.db2.gz ILUGFXPJSODXEU-QHCPKHFHSA-N 1 0 388.515 3.853 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CCC#N)CC1CC1 ZINC001313902222 1053279398 /nfs/dbraw/zinc/27/93/98/1053279398.db2.gz WCPLHHMYXAXJNK-LJQANCHMSA-N 1 0 398.580 3.545 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC1 ZINC001313907609 1053284261 /nfs/dbraw/zinc/28/42/61/1053284261.db2.gz IWQJQEULOXYIGE-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313911367 1053286609 /nfs/dbraw/zinc/28/66/09/1053286609.db2.gz OHRAIFFQRXTJLY-SIKLNZKXSA-N 1 0 384.572 3.940 20 30 GHEDRO CCn1c(CCCC#N)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001342848058 1053388841 /nfs/dbraw/zinc/38/88/41/1053388841.db2.gz VIDLHYQVNOKJBA-UHFFFAOYSA-N 1 0 386.931 3.510 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@@H]3C[C@H]3C#N)n2CC(C)C)CC1 ZINC001342888465 1053411355 /nfs/dbraw/zinc/41/13/55/1053411355.db2.gz CXYCTJNVSNNHAR-RBUKOAKNSA-N 1 0 384.572 3.796 20 30 GHEDRO CCn1c(N2CCC[C@@H](C#N)C2)nnc1[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001343002295 1053489778 /nfs/dbraw/zinc/48/97/78/1053489778.db2.gz RQZYHDQESBKMES-FGSXEWAUSA-N 1 0 396.514 3.670 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343021039 1053502266 /nfs/dbraw/zinc/50/22/66/1053502266.db2.gz CVSFAVGDMYTJHW-UHFFFAOYSA-N 1 0 377.602 3.775 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)n1CC(C)C ZINC001343046050 1053515667 /nfs/dbraw/zinc/51/56/67/1053515667.db2.gz UNDAMFFGAQUTMA-FHWLQOOXSA-N 1 0 386.588 3.682 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)c1ccccc1 ZINC001314647595 1053548319 /nfs/dbraw/zinc/54/83/19/1053548319.db2.gz AOKUUQITLQMQGT-OAQYLSRUSA-N 1 0 392.551 3.979 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC2(CC2)C1 ZINC001343345490 1053717959 /nfs/dbraw/zinc/71/79/59/1053717959.db2.gz WGOPBYQQANRDKI-IBGZPJMESA-N 1 0 385.556 3.551 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001343429570 1053765989 /nfs/dbraw/zinc/76/59/89/1053765989.db2.gz TYHCMPSPBORHOA-LPHOPBHVSA-N 1 0 397.489 3.832 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001343574990 1053900650 /nfs/dbraw/zinc/90/06/50/1053900650.db2.gz DXSUJNQDCNXGAU-SJORKVTESA-N 1 0 379.499 3.822 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nnc1C(C)(C)CC#N ZINC001343681329 1053970326 /nfs/dbraw/zinc/97/03/26/1053970326.db2.gz LIXZSGMSFHGLCE-HXUWFJFHSA-N 1 0 392.551 3.756 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@@H]([NH+]3CCCC3)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001343732828 1053990614 /nfs/dbraw/zinc/99/06/14/1053990614.db2.gz LKAZXQJYVYKLCH-XXBNENTESA-N 1 0 394.567 3.644 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001343752760 1053999718 /nfs/dbraw/zinc/99/97/18/1053999718.db2.gz WITIKGVNJJUMCX-HBFSDRIKSA-N 1 0 382.556 3.715 20 30 GHEDRO C=C(C)Cn1c([C@H](CO)CC(C)(C)C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001343907525 1054106831 /nfs/dbraw/zinc/10/68/31/1054106831.db2.gz PADOFDIFGJRZNX-SFHVURJKSA-N 1 0 391.604 3.677 20 30 GHEDRO N#C[C@]1(F)CCN(c2nnc(C3CC3)n2CCCCCCC[NH+]2CCCC2)C1 ZINC001316527781 1054216230 /nfs/dbraw/zinc/21/62/30/1054216230.db2.gz QBEVQBANIMDPED-OAQYLSRUSA-N 1 0 388.535 3.644 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CCC[N@@H+]3CCC[C@H]3C2)c1=S ZINC001318094069 1054402925 /nfs/dbraw/zinc/40/29/25/1054402925.db2.gz AZBRESMJECDNRQ-INIZCTEOSA-N 1 0 387.528 3.534 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC001345607700 1055150538 /nfs/dbraw/zinc/15/05/38/1055150538.db2.gz ZWUUVYBIQSHQRK-OAQYLSRUSA-N 1 0 396.922 3.967 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC(C)(C)C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001345873902 1055304317 /nfs/dbraw/zinc/30/43/17/1055304317.db2.gz DXYCRWMOWXOLKD-QGZVFWFLSA-N 1 0 377.577 3.634 20 30 GHEDRO Cc1ccc(-n2cc(C[NH2+]CCNc3ncccc3C#N)c(C(C)(C)C)n2)cc1 ZINC001319609829 1055357529 /nfs/dbraw/zinc/35/75/29/1055357529.db2.gz UJLJFIDMPLPVLP-UHFFFAOYSA-N 1 0 388.519 3.947 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccc(Br)o1)C(C)C ZINC001320552489 1055877449 /nfs/dbraw/zinc/87/74/49/1055877449.db2.gz ZHAXBFBOKJZSRZ-OAHLLOKOSA-N 1 0 384.318 3.540 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001321028506 1056062727 /nfs/dbraw/zinc/06/27/27/1056062727.db2.gz UJTFKTJHKVZQTQ-FCHUYYIVSA-N 1 0 398.528 3.772 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N1CC(N2CC[NH+](C)CC2)C1 ZINC001200503743 1056147302 /nfs/dbraw/zinc/14/73/02/1056147302.db2.gz GSBDWTHUXSWHAP-UHFFFAOYSA-N 1 0 382.662 3.713 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001321729669 1056376475 /nfs/dbraw/zinc/37/64/75/1056376475.db2.gz OUACMZIETHBLSL-RTBURBONSA-N 1 0 386.858 3.595 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300561146 1056479874 /nfs/dbraw/zinc/47/98/74/1056479874.db2.gz MFDQIQGBTRDJDL-SFHVURJKSA-N 1 0 395.938 3.546 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)cc1OC ZINC001200620564 1056507008 /nfs/dbraw/zinc/50/70/08/1056507008.db2.gz DPGOHPAWEOSJQJ-UHFFFAOYSA-N 1 0 386.467 3.526 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300581732 1056538613 /nfs/dbraw/zinc/53/86/13/1056538613.db2.gz YDGHTDKDGLVMDE-FQEVSTJZSA-N 1 0 381.568 3.519 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001300622311 1056698248 /nfs/dbraw/zinc/69/82/48/1056698248.db2.gz VDFMXQGOFVMFOC-UHFFFAOYSA-N 1 0 391.563 3.842 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300628913 1056720282 /nfs/dbraw/zinc/72/02/82/1056720282.db2.gz GKWUFXQXYXNQRV-IBGZPJMESA-N 1 0 397.542 3.588 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3CN3CCCC3=O)CC2)cc1 ZINC001324704894 1057208184 /nfs/dbraw/zinc/20/81/84/1057208184.db2.gz VTQYSUWSMIGIIH-UHFFFAOYSA-N 1 0 388.515 3.757 20 30 GHEDRO N#CCOc1ccc(Cl)cc1COC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848775113 1057296595 /nfs/dbraw/zinc/29/65/95/1057296595.db2.gz VWTUYVWJFGDBLZ-KRWDZBQOSA-N 1 0 384.863 3.808 20 30 GHEDRO C=C(C)Cn1c([C@H]2COc3ccccc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001355873610 1057300743 /nfs/dbraw/zinc/30/07/43/1057300743.db2.gz SWRGYRUHMJFDMI-ICSRJNTNSA-N 1 0 395.551 3.547 20 30 GHEDRO C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001355875305 1057302008 /nfs/dbraw/zinc/30/20/08/1057302008.db2.gz ALNRSARPNYLFPQ-INIZCTEOSA-N 1 0 379.499 3.822 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nnc1C(C)(C)C#N ZINC001355977720 1057341265 /nfs/dbraw/zinc/34/12/65/1057341265.db2.gz SDIXZLNNBNTBAG-IBGZPJMESA-N 1 0 384.572 3.604 20 30 GHEDRO C=C(C)Cn1c(-c2oc3ccccc3c2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC001356072552 1057377717 /nfs/dbraw/zinc/37/77/17/1057377717.db2.gz PWKVGRNHOGSHSV-UHFFFAOYSA-N 1 0 377.492 3.860 20 30 GHEDRO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001356093775 1057387034 /nfs/dbraw/zinc/38/70/34/1057387034.db2.gz DKZOFASSAQOUGB-DLBZAZTESA-N 1 0 379.499 3.679 20 30 GHEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC001356184463 1057421092 /nfs/dbraw/zinc/42/10/92/1057421092.db2.gz ZNOWVJPESMFLJK-UHFFFAOYSA-N 1 0 390.597 3.797 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC001326156063 1057424379 /nfs/dbraw/zinc/42/43/79/1057424379.db2.gz LRAJHHJTEJXZQN-MRXNPFEDSA-N 1 0 386.858 3.548 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001356578390 1057555649 /nfs/dbraw/zinc/55/56/49/1057555649.db2.gz NTUHQXKWLDGWDE-QHAWAJNXSA-N 1 0 390.535 3.582 20 30 GHEDRO C[NH+]=C(NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)NC1CC1 ZINC000849049953 1057556375 /nfs/dbraw/zinc/55/63/75/1057556375.db2.gz MECLGDROISGWOJ-GOSISDBHSA-N 1 0 388.968 3.828 20 30 GHEDRO CS(=O)(=O)Nc1cccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000849056756 1057567583 /nfs/dbraw/zinc/56/75/83/1057567583.db2.gz KUQKRFPUSFGBKP-UHFFFAOYSA-N 1 0 386.521 3.512 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001357116854 1057607587 /nfs/dbraw/zinc/60/75/87/1057607587.db2.gz KLRBUFVVZOXUHA-PXCRPINLSA-N 1 0 394.567 3.687 20 30 GHEDRO COCc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc(C(C)(C)C)n1 ZINC001327281380 1057632736 /nfs/dbraw/zinc/63/27/36/1057632736.db2.gz BWHGRVCVUFOPRN-UHFFFAOYSA-N 1 0 393.535 3.869 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001338870550 1058844998 /nfs/dbraw/zinc/84/49/98/1058844998.db2.gz IHJGQBUBUBHJNZ-QFBILLFUSA-N 1 0 398.555 3.827 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)C#Cc3ccccc3)cc2Cl)CC1 ZINC001442250354 1058938372 /nfs/dbraw/zinc/93/83/72/1058938372.db2.gz SPXIYTXTWOIEJN-UHFFFAOYSA-N 1 0 381.907 3.862 20 30 GHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)cc21 ZINC001444407710 1059320889 /nfs/dbraw/zinc/32/08/89/1059320889.db2.gz KZNLDDAMVXMJPZ-BJMVGYQFSA-N 1 0 379.435 3.563 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001339615718 1059349194 /nfs/dbraw/zinc/34/91/94/1059349194.db2.gz ZCZARMRRPBVPRQ-HLAWJBBLSA-N 1 0 392.551 3.664 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001445597553 1059573647 /nfs/dbraw/zinc/57/36/47/1059573647.db2.gz CCMGURKBRZHPGK-GFCCVEGCSA-N 1 0 394.338 3.868 20 30 GHEDRO C[NH+](C)CCc1cccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC001446226249 1059730984 /nfs/dbraw/zinc/73/09/84/1059730984.db2.gz FRNKVPFSIYWYHY-SFHVURJKSA-N 1 0 386.293 3.548 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001340394959 1059910263 /nfs/dbraw/zinc/91/02/63/1059910263.db2.gz CBFMACQRHBHNJX-UHFFFAOYSA-N 1 0 392.960 3.696 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001340505858 1059954917 /nfs/dbraw/zinc/95/49/17/1059954917.db2.gz JRAZLFSNRANMDJ-KRWDZBQOSA-N 1 0 379.499 3.822 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C#N)cc2C2CC2)[C@H](c2cnn(C)c2)C1 ZINC001340881551 1060221097 /nfs/dbraw/zinc/22/10/97/1060221097.db2.gz LBAXBOHQYPJWNE-CTNGQTDRSA-N 1 0 391.519 3.622 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001341150636 1060453904 /nfs/dbraw/zinc/45/39/04/1060453904.db2.gz HJMVGOZHXQVTMN-CQSZACIVSA-N 1 0 386.466 3.558 20 30 GHEDRO CCN(c1nnc([C@H](C)CCC#N)n1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001341754959 1060863770 /nfs/dbraw/zinc/86/37/70/1060863770.db2.gz IONZDSXQEZXJEP-QWFCFKBJSA-N 1 0 380.540 3.884 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)s1 ZINC001452138922 1060905143 /nfs/dbraw/zinc/90/51/43/1060905143.db2.gz SCSDEGPNZAPJIP-ZIAGYGMSSA-N 1 0 388.002 3.684 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nnc1C1(C#N)CCCCC1 ZINC001341893413 1060941864 /nfs/dbraw/zinc/94/18/64/1060941864.db2.gz LYIGFJHDVGCCAO-SLFFLAALSA-N 1 0 396.583 3.746 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1C(F)(F)c1ccccc1 ZINC001342010578 1060995235 /nfs/dbraw/zinc/99/52/35/1060995235.db2.gz JJXFFPLCQVFMFK-UHFFFAOYSA-N 1 0 389.494 3.961 20 30 GHEDRO CON=Cc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)cc1 ZINC001452769612 1061008856 /nfs/dbraw/zinc/00/88/56/1061008856.db2.gz JHVROTYOWKWFAH-FHWLQOOXSA-N 1 0 379.504 3.790 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCC3)CC2)nnc1C1(C#N)CCCC1 ZINC001346173901 1061427956 /nfs/dbraw/zinc/42/79/56/1061427956.db2.gz KMBOFHPJSANWBL-UHFFFAOYSA-N 1 0 382.556 3.644 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2CC2CC2)CC1 ZINC001346496349 1061611318 /nfs/dbraw/zinc/61/13/18/1061611318.db2.gz LTJOFYZSTFJMRZ-DUXKGJEZSA-N 1 0 396.583 3.796 20 30 GHEDRO Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001492845296 1061947843 /nfs/dbraw/zinc/94/78/43/1061947843.db2.gz ZTSVIBDMALHWIA-JOCHJYFZSA-N 1 0 380.540 3.605 20 30 GHEDRO Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001492845297 1061948284 /nfs/dbraw/zinc/94/82/84/1061948284.db2.gz ZTSVIBDMALHWIA-QFIPXVFZSA-N 1 0 380.540 3.605 20 30 GHEDRO CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C(C)C)C1 ZINC001546066088 1061952490 /nfs/dbraw/zinc/95/24/90/1061952490.db2.gz GSZROWSNQLXBGB-JOCHJYFZSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001347733241 1062606198 /nfs/dbraw/zinc/60/61/98/1062606198.db2.gz DHAVJGHZBPORDP-RXVVDRJESA-N 1 0 392.551 3.806 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001347733242 1062606457 /nfs/dbraw/zinc/60/64/57/1062606457.db2.gz DHAVJGHZBPORDP-WIYYLYMNSA-N 1 0 392.551 3.806 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001435655801 1062815681 /nfs/dbraw/zinc/81/56/81/1062815681.db2.gz CJNQRAPKJPPTMZ-CEXWTWQISA-N 1 0 394.906 3.637 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001348503532 1063146971 /nfs/dbraw/zinc/14/69/71/1063146971.db2.gz ZCGGBSQRWCAQHG-QGZVFWFLSA-N 1 0 398.580 3.545 20 30 GHEDRO COc1cc(C#N)ccc1OCCSCc1cccc(CN2CCOCC2)c1 ZINC001348632721 1063250270 /nfs/dbraw/zinc/25/02/70/1063250270.db2.gz ULVHZZBXTFPXIO-UHFFFAOYSA-N 1 0 398.528 3.711 20 30 GHEDRO COc1ccccc1C1(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CCCC1 ZINC001348952215 1063438401 /nfs/dbraw/zinc/43/84/01/1063438401.db2.gz OOGPXFCCTZRNGO-UHFFFAOYSA-N 1 0 377.488 3.997 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001458235274 1063681201 /nfs/dbraw/zinc/68/12/01/1063681201.db2.gz YENXAOXOQKHTDR-UHFFFAOYSA-N 1 0 385.405 3.797 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC001459391285 1064084863 /nfs/dbraw/zinc/08/48/63/1064084863.db2.gz LXEYYNGJYBBFRN-JOCHJYFZSA-N 1 0 380.463 3.817 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001351440891 1064448770 /nfs/dbraw/zinc/44/87/70/1064448770.db2.gz HFSNOXXENPXSMP-NRFANRHFSA-N 1 0 395.551 3.589 20 30 GHEDRO C=CCn1c([C@H](CC)OCC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001351749933 1064586717 /nfs/dbraw/zinc/58/67/17/1064586717.db2.gz AWWNXBSUZBRNOG-SFHVURJKSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001352151824 1064886726 /nfs/dbraw/zinc/88/67/26/1064886726.db2.gz QRMHNLDLOJNHES-HOJAQTOUSA-N 1 0 385.556 3.549 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccccc2C#N)CCCCC1 ZINC001464437529 1065009555 /nfs/dbraw/zinc/00/95/55/1065009555.db2.gz HUNPESGNBUEZDI-UHFFFAOYSA-N 1 0 397.544 3.671 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001464998759 1065317688 /nfs/dbraw/zinc/31/76/88/1065317688.db2.gz XULVTIAGYYXTSW-INIZCTEOSA-N 1 0 375.271 3.540 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC001465779742 1065850162 /nfs/dbraw/zinc/85/01/62/1065850162.db2.gz RSUULNMCLBNUSO-IIBYNOLFSA-N 1 0 383.467 3.959 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001300280300 1065915213 /nfs/dbraw/zinc/91/52/13/1065915213.db2.gz ANHUUFBKLJMASF-GOSISDBHSA-N 1 0 379.552 3.840 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cnc(Br)cc1C)C(C)C ZINC001465920741 1065923120 /nfs/dbraw/zinc/92/31/20/1065923120.db2.gz REMAXKIRVUBHDJ-INIZCTEOSA-N 1 0 395.345 3.973 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001300302663 1065956974 /nfs/dbraw/zinc/95/69/74/1065956974.db2.gz DJRZBEMGQPVVRF-UFYCRDLUSA-N 1 0 387.572 3.632 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300313221 1065972157 /nfs/dbraw/zinc/97/21/57/1065972157.db2.gz DINVDTIRHOBEIA-RBUKOAKNSA-N 1 0 397.542 3.588 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CC1([NH+](C)C)CCCCC1 ZINC001300315412 1065976261 /nfs/dbraw/zinc/97/62/61/1065976261.db2.gz XFUBBGCBKJXWLN-QGZVFWFLSA-N 1 0 385.581 3.653 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001300317772 1065980614 /nfs/dbraw/zinc/98/06/14/1065980614.db2.gz UYYKUCHPSIQUMN-UTKZUKDTSA-N 1 0 397.542 3.911 20 30 GHEDRO Cc1nc(Cl)ccc1CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746580 1066015994 /nfs/dbraw/zinc/01/59/94/1066015994.db2.gz NKQJFQWDWRPTDK-UHFFFAOYSA-N 1 0 397.906 3.935 20 30 GHEDRO N#CC1(COC(=O)c2scnc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000847746337 1066017985 /nfs/dbraw/zinc/01/79/85/1066017985.db2.gz DFAWEYUOEKAFAZ-UHFFFAOYSA-N 1 0 381.501 3.983 20 30 GHEDRO Cc1noc(C)c1[C@@H](C)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748836 1066038282 /nfs/dbraw/zinc/03/82/82/1066038282.db2.gz JHVCCEDYVNZJLB-MRXNPFEDSA-N 1 0 381.476 3.744 20 30 GHEDRO Cc1cncc(/C=C\C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847749721 1066042649 /nfs/dbraw/zinc/04/26/49/1066042649.db2.gz ZNQMBUOBTOKSLH-FPLPWBNLSA-N 1 0 375.472 3.752 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC001200402983 1066110830 /nfs/dbraw/zinc/11/08/30/1066110830.db2.gz RYOHXJWQAKUMQF-LJQANCHMSA-N 1 0 377.488 3.684 20 30 GHEDRO C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)[NH+](CC)CC ZINC001300431809 1066314843 /nfs/dbraw/zinc/31/48/43/1066314843.db2.gz LZQVXWRRQHPTSM-IBGZPJMESA-N 1 0 379.552 3.548 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001466816719 1066332866 /nfs/dbraw/zinc/33/28/66/1066332866.db2.gz MBTKCKUSMQTRTM-AWEZNQCLSA-N 1 0 382.302 3.572 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cc(F)cc(C#N)c2)cc1 ZINC001467160940 1067109633 /nfs/dbraw/zinc/10/96/33/1067109633.db2.gz VNRRBXMFQITRJO-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)c(F)cc1C ZINC001467241068 1067172410 /nfs/dbraw/zinc/17/24/10/1067172410.db2.gz UWLWYGNVEXASJL-LJQANCHMSA-N 1 0 395.482 3.919 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001467576603 1067368167 /nfs/dbraw/zinc/36/81/67/1067368167.db2.gz CIHXFSOYVGPNMH-FQEVSTJZSA-N 1 0 380.492 3.562 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)[NH+](CC)CC ZINC001358874340 1067589762 /nfs/dbraw/zinc/58/97/62/1067589762.db2.gz WGAYHNAYBFBUGA-VQTJNVASSA-N 1 0 393.579 3.936 20 30 GHEDRO C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001358931326 1067617869 /nfs/dbraw/zinc/61/78/69/1067617869.db2.gz XGJUEEBGJXOJCX-FQEVSTJZSA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001358945981 1067626308 /nfs/dbraw/zinc/62/63/08/1067626308.db2.gz CJCIYWWWPGHMOP-GOSISDBHSA-N 1 0 390.535 3.616 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001358984625 1067635252 /nfs/dbraw/zinc/63/52/52/1067635252.db2.gz CCWAFSKJRXMDIJ-IRLDBZIGSA-N 1 0 391.563 3.866 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccn2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001359005921 1067647873 /nfs/dbraw/zinc/64/78/73/1067647873.db2.gz AMQKZJVXCWSHFE-UHFFFAOYSA-N 1 0 394.567 3.558 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001359073031 1067673271 /nfs/dbraw/zinc/67/32/71/1067673271.db2.gz ZYBDAIKMCWVOTK-WMZHIEFXSA-N 1 0 395.551 3.899 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359109220 1067688576 /nfs/dbraw/zinc/68/85/76/1067688576.db2.gz SUWJYOMKQGLXJQ-LJQANCHMSA-N 1 0 390.535 3.703 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359110646 1067689465 /nfs/dbraw/zinc/68/94/65/1067689465.db2.gz WBRSVZFPPMVOOS-IBGZPJMESA-N 1 0 382.556 3.863 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CCC[NH+]1CCCC1 ZINC001359110386 1067689490 /nfs/dbraw/zinc/68/94/90/1067689490.db2.gz LIFNVZBGPCRSKD-UHFFFAOYSA-N 1 0 383.540 3.842 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001359112472 1067690918 /nfs/dbraw/zinc/69/09/18/1067690918.db2.gz KQZOFLLCUUYKLV-PMACEKPBSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCCC1 ZINC001359114666 1067693408 /nfs/dbraw/zinc/69/34/08/1067693408.db2.gz SULHBSNRAXNBJP-UHFFFAOYSA-N 1 0 385.531 3.896 20 30 GHEDRO C=C(C)COCCn1c(C(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001359126349 1067698158 /nfs/dbraw/zinc/69/81/58/1067698158.db2.gz MYXBGHSKGZFWTE-UHFFFAOYSA-N 1 0 397.567 3.625 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@@H]1CCC(F)(F)C1 ZINC000849097582 1067725100 /nfs/dbraw/zinc/72/51/00/1067725100.db2.gz UTWOVMISVWYHOF-QGZVFWFLSA-N 1 0 383.483 3.592 20 30 GHEDRO N#Cc1ccc(OCc2nnc(NC3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000849158559 1067748174 /nfs/dbraw/zinc/74/81/74/1067748174.db2.gz JFZHZSPTFRXUAN-UHFFFAOYSA-N 1 0 389.459 3.597 20 30 GHEDRO C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359209842 1067782125 /nfs/dbraw/zinc/78/21/25/1067782125.db2.gz BDFZGMAVLOZAJI-UHFFFAOYSA-N 1 0 383.540 3.698 20 30 GHEDRO C=CCCCn1c(Cc2ccccc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359217522 1067794560 /nfs/dbraw/zinc/79/45/60/1067794560.db2.gz BXDYHUAUGNIRBP-UHFFFAOYSA-N 1 0 381.568 3.922 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359235747 1067840539 /nfs/dbraw/zinc/84/05/39/1067840539.db2.gz MDAMWISTIWTQQY-MSOLQXFVSA-N 1 0 383.540 3.696 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359241858 1067852626 /nfs/dbraw/zinc/85/26/26/1067852626.db2.gz GEJGOGAOBKJAPG-QGZVFWFLSA-N 1 0 385.943 3.629 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359256905 1067916250 /nfs/dbraw/zinc/91/62/50/1067916250.db2.gz UFQWYJJDBQGHPH-LJQANCHMSA-N 1 0 392.551 3.637 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1(C)C ZINC001469331679 1068108097 /nfs/dbraw/zinc/10/80/97/1068108097.db2.gz ISZZIORJXPOKAH-VQTJNVASSA-N 1 0 381.451 3.948 20 30 GHEDRO CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359933910 1068267462 /nfs/dbraw/zinc/26/74/62/1068267462.db2.gz OOZKYIBRQFLBIA-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C[C@H](COC)NC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001469894331 1068454776 /nfs/dbraw/zinc/45/47/76/1068454776.db2.gz HFBFHJOKYRSYES-FGZHOGPDSA-N 1 0 387.568 3.562 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001470026136 1068530533 /nfs/dbraw/zinc/53/05/33/1068530533.db2.gz WZDYGEAYDGHBKW-QFIPXVFZSA-N 1 0 390.531 3.701 20 30 GHEDRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCC1 ZINC001360593625 1068575551 /nfs/dbraw/zinc/57/55/51/1068575551.db2.gz IOKPEVSYKRTZSZ-SFHVURJKSA-N 1 0 386.588 3.729 20 30 GHEDRO C=CCC1(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC001470146066 1068595424 /nfs/dbraw/zinc/59/54/24/1068595424.db2.gz BRSXABIFOMHNIM-OAQYLSRUSA-N 1 0 385.552 3.579 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1C ZINC001460528230 1068988127 /nfs/dbraw/zinc/98/81/27/1068988127.db2.gz VLVZVQINYQUFDS-JOCHJYFZSA-N 1 0 390.531 3.761 20 30 GHEDRO C#CCNC(=O)CC[N@H+](C)CCCN1c2ccccc2Sc2ccccc21 ZINC001460570105 1069001167 /nfs/dbraw/zinc/00/11/67/1069001167.db2.gz QJSCUEFWSKYCTD-UHFFFAOYSA-N 1 0 379.529 3.751 20 30 GHEDRO COC[C@@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001460578276 1069005676 /nfs/dbraw/zinc/00/56/76/1069005676.db2.gz PTPCBJZQBSTVTQ-VGSWGCGISA-N 1 0 377.488 3.911 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460628535 1069041508 /nfs/dbraw/zinc/04/15/08/1069041508.db2.gz WHNATFMHGBJXJT-GMAHTHKFSA-N 1 0 396.579 3.908 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3ccc(CC#N)cc3)C2)O1 ZINC001460688011 1069086790 /nfs/dbraw/zinc/08/67/90/1069086790.db2.gz DQCGOODJQFJIPY-YKSBVNFPSA-N 1 0 375.516 3.618 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001470490375 1072587363 /nfs/dbraw/zinc/58/73/63/1072587363.db2.gz GKWREFWFBODNSJ-QFIPXVFZSA-N 1 0 375.516 3.701 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(F)c(C#N)c1N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001470738182 1072714400 /nfs/dbraw/zinc/71/44/00/1072714400.db2.gz BTGQJPBAHBPJSA-OAHLLOKOSA-N 1 0 380.467 3.561 20 30 GHEDRO C=CC(C)(C)CCCNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001471246742 1072981966 /nfs/dbraw/zinc/98/19/66/1072981966.db2.gz JMEBUKHGFBAJCK-UHFFFAOYSA-N 1 0 392.632 3.817 20 30 GHEDRO C#C[C@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC001478896269 1079019019 /nfs/dbraw/zinc/01/90/19/1079019019.db2.gz LPLUTDXNMHFOIF-HFCFLWKCSA-N 1 0 392.341 3.686 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC001478901934 1079021290 /nfs/dbraw/zinc/02/12/90/1079021290.db2.gz XHQBDEDDCBBRGD-RTBURBONSA-N 1 0 391.849 3.895 20 30 GHEDRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2ccc(C#N)cn2)cc1 ZINC001471882339 1073242609 /nfs/dbraw/zinc/24/26/09/1073242609.db2.gz ZITFDIPXWUCLJO-UHFFFAOYSA-N 1 0 386.455 3.716 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc(Br)cc1C#N ZINC001472731886 1073640565 /nfs/dbraw/zinc/64/05/65/1073640565.db2.gz COAIXSJFZIKIIA-LSDHHAIUSA-N 1 0 385.309 3.815 20 30 GHEDRO N#Cc1cc2c(n(Cc3ccc(F)cc3F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001473062992 1073766890 /nfs/dbraw/zinc/76/68/90/1073766890.db2.gz XHOYCFCEIFIRDU-UHFFFAOYSA-N 1 0 391.421 3.605 20 30 GHEDRO C[C@H](Cc1cccs1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001473213651 1073864401 /nfs/dbraw/zinc/86/44/01/1073864401.db2.gz NCLIWQCISTXABJ-OAHLLOKOSA-N 1 0 394.462 3.798 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[NH2+][C@H](CCc1ccccc1)c1ccccc1)cc2=O ZINC001473321365 1073919889 /nfs/dbraw/zinc/91/98/89/1073919889.db2.gz QNOZYRFIMUGVNS-OAQYLSRUSA-N 1 0 383.455 3.770 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001473644286 1074063511 /nfs/dbraw/zinc/06/35/11/1074063511.db2.gz BUZSBUOAPHCEAN-GOTSBHOMSA-N 1 0 391.515 3.615 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCCO2 ZINC001473663722 1074073138 /nfs/dbraw/zinc/07/31/38/1074073138.db2.gz LJYJFXMSAGHPBE-KKSFZXQISA-N 1 0 375.472 3.729 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC001473788563 1074143116 /nfs/dbraw/zinc/14/31/16/1074143116.db2.gz OLKTYSPMASKEBH-UGKGYDQZSA-N 1 0 385.511 3.761 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC001473788559 1074143259 /nfs/dbraw/zinc/14/32/59/1074143259.db2.gz OLKTYSPMASKEBH-DENIHFKCSA-N 1 0 385.511 3.761 20 30 GHEDRO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001473790627 1074143949 /nfs/dbraw/zinc/14/39/49/1074143949.db2.gz LSQHLLNDMDNJEK-UONOGXRCSA-N 1 0 385.323 3.975 20 30 GHEDRO C=CCC1(O)CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC001473808042 1074153985 /nfs/dbraw/zinc/15/39/85/1074153985.db2.gz BFRRLGYBLHXMGE-UHFFFAOYSA-N 1 0 376.241 3.954 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC001473920226 1074204059 /nfs/dbraw/zinc/20/40/59/1074204059.db2.gz MDUHFAJAQSADFA-HOTGVXAUSA-N 1 0 382.932 3.502 20 30 GHEDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC001474070111 1074253847 /nfs/dbraw/zinc/25/38/47/1074253847.db2.gz FDUNMUUARLYTLP-UHFFFAOYSA-N 1 0 380.448 3.958 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cccc4c3OC(F)(F)O4)CC2)nc1 ZINC001474069977 1074253887 /nfs/dbraw/zinc/25/38/87/1074253887.db2.gz CYVOALBAHHMBCN-UHFFFAOYSA-N 1 0 387.386 3.755 20 30 GHEDRO COc1cc(C[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)ccc1C#N ZINC001474201046 1074291181 /nfs/dbraw/zinc/29/11/81/1074291181.db2.gz YLOCXBPWWAGCCH-HSZRJFAPSA-N 1 0 380.488 3.956 20 30 GHEDRO C[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001493408239 1079266543 /nfs/dbraw/zinc/26/65/43/1079266543.db2.gz YTENNHKKIIUHRI-RTBURBONSA-N 1 0 392.551 3.927 20 30 GHEDRO C#C[C@H]([NH2+][C@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C)C1CCOCC1 ZINC001474636087 1074493047 /nfs/dbraw/zinc/49/30/47/1074493047.db2.gz HEFRTHKQUBHVJW-RLLQIKCJSA-N 1 0 378.557 3.963 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC001474960959 1074654884 /nfs/dbraw/zinc/65/48/84/1074654884.db2.gz IHUDDOBEMFBSDV-QGZVFWFLSA-N 1 0 391.581 3.667 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccc(F)cc1OCC#N ZINC001476283296 1075115617 /nfs/dbraw/zinc/11/56/17/1075115617.db2.gz KNEXERXMVBXJTI-WMZOPIPTSA-N 1 0 396.466 3.618 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(F)cc1OCC#N ZINC001476283294 1075115766 /nfs/dbraw/zinc/11/57/66/1075115766.db2.gz KNEXERXMVBXJTI-FUHWJXTLSA-N 1 0 396.466 3.618 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001496005503 1079446844 /nfs/dbraw/zinc/44/68/44/1079446844.db2.gz VXHFHEGKYSNJEL-ZWKOTPCHSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1OC ZINC001657791479 1126260959 /nfs/dbraw/zinc/26/09/59/1126260959.db2.gz FPLPLGZGBLCEBU-GOSISDBHSA-N 1 0 375.896 3.915 20 30 GHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(SC)c(OC)c1 ZINC000735426848 598593163 /nfs/dbraw/zinc/59/31/63/598593163.db2.gz YRTYYKVHQOSXAS-UHFFFAOYSA-N 1 0 381.505 3.785 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C1 ZINC000736756886 600593192 /nfs/dbraw/zinc/59/31/92/600593192.db2.gz XIGSQTKENMLFLO-PMAPCBKXSA-N 1 0 391.515 3.952 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828266279 601300474 /nfs/dbraw/zinc/30/04/74/601300474.db2.gz RLLJYGDVNOIAQD-VGSWGCGISA-N 1 0 377.488 3.706 20 30 GHEDRO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222672 606483528 /nfs/dbraw/zinc/48/35/28/606483528.db2.gz WVZNJFORXCATHO-CYBMUJFWSA-N 1 0 398.417 3.923 20 30 GHEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821215283 606887210 /nfs/dbraw/zinc/88/72/10/606887210.db2.gz PIXZACUVIRWTCK-MRXNPFEDSA-N 1 0 376.464 3.590 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823894855 608537886 /nfs/dbraw/zinc/53/78/86/608537886.db2.gz YCBBDILRNFKTBL-KRWDZBQOSA-N 1 0 396.882 3.756 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000825914551 608856896 /nfs/dbraw/zinc/85/68/96/608856896.db2.gz JWGFCGJZMURPQO-UHFFFAOYSA-N 1 0 399.502 3.506 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414029 718880325 /nfs/dbraw/zinc/88/03/25/718880325.db2.gz POOVXRYRHBVFIW-LBPRGKRZSA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)cc(Cl)n1 ZINC001164621367 719045879 /nfs/dbraw/zinc/04/58/79/719045879.db2.gz IZPJOSGEKTXWJE-HKUYNNGSSA-N 1 0 388.849 3.735 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621914 719047028 /nfs/dbraw/zinc/04/70/28/719047028.db2.gz KEXJKFOESSLKIB-LPHOPBHVSA-N 1 0 388.849 3.735 20 30 GHEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccnc(Cl)c1C#N ZINC001164735600 720543499 /nfs/dbraw/zinc/54/34/99/720543499.db2.gz QBBNAIXSXOEDIL-ZDUSSCGKSA-N 1 0 398.885 3.668 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(cc3C#N)CCC4)C[C@@H]21 ZINC001165022245 721823984 /nfs/dbraw/zinc/82/39/84/721823984.db2.gz GTSYYEYZFJPNBY-RZFNWQHOSA-N 1 0 387.531 3.574 20 30 GHEDRO CCOCCO[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000180789941 837548509 /nfs/dbraw/zinc/54/85/09/837548509.db2.gz SZPDMJSSZFGZPB-QHCPKHFHSA-N 1 0 380.488 3.765 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180124149 837664759 /nfs/dbraw/zinc/66/47/59/837664759.db2.gz VAWPTWJVDAVFNU-SFHVURJKSA-N 1 0 389.478 3.714 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000175272521 834416665 /nfs/dbraw/zinc/41/66/65/834416665.db2.gz TWJOGOHICZPQDV-INIZCTEOSA-N 1 0 377.513 3.924 20 30 GHEDRO CCn1c(CNC(=[NH2+])NC2CCCCC2)nc2cc(Br)ccc21 ZINC000262326666 834483619 /nfs/dbraw/zinc/48/36/19/834483619.db2.gz DNGHCUSDBIFRRR-UHFFFAOYSA-N 1 0 378.318 3.556 20 30 GHEDRO CC[C@H](C)[N@H+](CCCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000128176068 834531169 /nfs/dbraw/zinc/53/11/69/834531169.db2.gz LMILHQISAGKBON-KRWDZBQOSA-N 1 0 390.487 3.864 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000176890842 837781155 /nfs/dbraw/zinc/78/11/55/837781155.db2.gz VCFOIAQQXOKGEO-GCJKJVERSA-N 1 0 388.515 3.895 20 30 GHEDRO Cc1ccc(O[C@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278765857 834559117 /nfs/dbraw/zinc/55/91/17/834559117.db2.gz XUENJIRCFMMRIS-GOSISDBHSA-N 1 0 375.476 3.724 20 30 GHEDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCC ZINC000430151246 834608626 /nfs/dbraw/zinc/60/86/26/834608626.db2.gz AOAFSTQDJLSJHT-LJQANCHMSA-N 1 0 381.476 3.794 20 30 GHEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000158845390 834632072 /nfs/dbraw/zinc/63/20/72/834632072.db2.gz YCLBTQWAYTYYON-INIZCTEOSA-N 1 0 385.458 3.920 20 30 GHEDRO C=CC[N@@H+](CC/C=C\c1cncc(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000583562081 834648926 /nfs/dbraw/zinc/64/89/26/834648926.db2.gz ZHVDAKHYMPYIHK-MTIYJEKLSA-N 1 0 390.491 3.718 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458800959 834754209 /nfs/dbraw/zinc/75/42/09/834754209.db2.gz MGWVRELXGVLMQH-NRFANRHFSA-N 1 0 379.508 3.590 20 30 GHEDRO CCCOc1c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cccc1OCC ZINC000430184592 834842931 /nfs/dbraw/zinc/84/29/31/834842931.db2.gz FCKVHFHQLZPBSK-IBGZPJMESA-N 1 0 381.476 3.794 20 30 GHEDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2ccc(C#N)s2)c2c(F)cccc2Cl)CCO1 ZINC000176948147 837815203 /nfs/dbraw/zinc/81/52/03/837815203.db2.gz YNQCVARXMQSDRR-ACJLOTCBSA-N 1 0 393.915 3.964 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000179133702 834941622 /nfs/dbraw/zinc/94/16/22/834941622.db2.gz DPTREWBNXZXCHH-KRWDZBQOSA-N 1 0 381.863 3.924 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000157766105 835082677 /nfs/dbraw/zinc/08/26/77/835082677.db2.gz NETRTANNNPDVKV-IBGZPJMESA-N 1 0 383.536 3.635 20 30 GHEDRO N#Cc1ccc(-c2noc(C3(Cc4cccc(Cl)c4)CC[NH2+]CC3)n2)nc1 ZINC001211500717 835089794 /nfs/dbraw/zinc/08/97/94/835089794.db2.gz NRWIZJKWHLTNMG-UHFFFAOYSA-N 1 0 379.851 3.521 20 30 GHEDRO C=CCc1cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc(OC)c1OC ZINC000067209703 844022081 /nfs/dbraw/zinc/02/20/81/844022081.db2.gz JGGBUGDIMXULID-IBGZPJMESA-N 1 0 380.488 3.565 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000578051536 835177354 /nfs/dbraw/zinc/17/73/54/835177354.db2.gz GEILEEWVNSGEIF-OAHLLOKOSA-N 1 0 385.537 3.847 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183142138 835279510 /nfs/dbraw/zinc/27/95/10/835279510.db2.gz UIQXWDOFTDWPDJ-SGIJDJSVSA-N 1 0 393.535 3.842 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548852559 835290817 /nfs/dbraw/zinc/29/08/17/835290817.db2.gz CJHXZWTZSWDUKE-UHFFFAOYSA-N 1 0 381.568 3.920 20 30 GHEDRO COc1ccccc1-c1ncc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cn1 ZINC000430233046 835298334 /nfs/dbraw/zinc/29/83/34/835298334.db2.gz OMMWOYHAOHDQBS-UHFFFAOYSA-N 1 0 399.498 3.736 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000157653210 835306448 /nfs/dbraw/zinc/30/64/48/835306448.db2.gz ZWSLKIOKUUCPAR-UHFFFAOYSA-N 1 0 380.488 3.669 20 30 GHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000176967056 835401017 /nfs/dbraw/zinc/40/10/17/835401017.db2.gz JJYZJYDFUONCLT-MRXNPFEDSA-N 1 0 392.425 3.516 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000255642973 835433906 /nfs/dbraw/zinc/43/39/06/835433906.db2.gz WSODVRLTYZNRPR-JOCHJYFZSA-N 1 0 395.503 3.633 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000584021299 835463241 /nfs/dbraw/zinc/46/32/41/835463241.db2.gz OETDIOZZQZYMIF-LEWJYISDSA-N 1 0 381.451 3.878 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000658139381 835466699 /nfs/dbraw/zinc/46/66/99/835466699.db2.gz QCVUARQVMKHHQV-TZIWHRDSSA-N 1 0 383.536 3.515 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000248399232 835508839 /nfs/dbraw/zinc/50/88/39/835508839.db2.gz OOLLUJBEJQLMSV-ZCNNSNEGSA-N 1 0 377.573 3.795 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2scc(C)c2C#N)CC1 ZINC000584061282 835529942 /nfs/dbraw/zinc/52/99/42/835529942.db2.gz GMDOSGIIDXNYPT-UHFFFAOYSA-N 1 0 378.542 3.531 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c(-c2ccncc2)n1 ZINC000278643795 835687650 /nfs/dbraw/zinc/68/76/50/835687650.db2.gz LQWBEQGIMQNXPS-HXUWFJFHSA-N 1 0 379.508 3.830 20 30 GHEDRO N#Cc1cccc(CC[NH2+]Cc2c(Br)cncc2Br)c1 ZINC000584177538 835730325 /nfs/dbraw/zinc/73/03/25/835730325.db2.gz BPRPVGRXOBEJNK-UHFFFAOYSA-N 1 0 395.098 3.811 20 30 GHEDRO C[C@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1Cl ZINC000278713246 835862932 /nfs/dbraw/zinc/86/29/32/835862932.db2.gz RZHIMAYTPGPKLT-NRFANRHFSA-N 1 0 395.894 3.509 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177096598 835864596 /nfs/dbraw/zinc/86/45/96/835864596.db2.gz LTVAPKVNTHBNSC-INIZCTEOSA-N 1 0 382.426 3.904 20 30 GHEDRO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(N(C)CCC#N)cc1 ZINC000179603432 835890668 /nfs/dbraw/zinc/89/06/68/835890668.db2.gz HLIIGTHSFIJETD-UHFFFAOYSA-N 1 0 380.492 3.506 20 30 GHEDRO C[C@@H](O)C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278784739 835922111 /nfs/dbraw/zinc/92/21/11/835922111.db2.gz ZMIJBNPZSWUQOE-NQIIRXRSSA-N 1 0 389.503 3.503 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3OC3CC3)CC2)c1 ZINC000584391588 835969589 /nfs/dbraw/zinc/96/95/89/835969589.db2.gz HDAPESKOBUIQLF-UHFFFAOYSA-N 1 0 375.472 3.950 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000092585346 844120674 /nfs/dbraw/zinc/12/06/74/844120674.db2.gz KHOSTWHQCAWYOO-CQSZACIVSA-N 1 0 394.924 3.745 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000548913146 836078739 /nfs/dbraw/zinc/07/87/39/836078739.db2.gz GHLJWKKOPHAYLH-LJQANCHMSA-N 1 0 388.519 3.744 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c(C#N)c1C ZINC000290145359 836094961 /nfs/dbraw/zinc/09/49/61/836094961.db2.gz NCSHFDQPYKUSLW-MGPUTAFESA-N 1 0 393.487 3.779 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000120736564 836184277 /nfs/dbraw/zinc/18/42/77/836184277.db2.gz YBQXORADPQVFFW-LAUBAEHRSA-N 1 0 380.488 3.739 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000582058117 836224405 /nfs/dbraw/zinc/22/44/05/836224405.db2.gz PSSMKLHYIOOHPS-KRWDZBQOSA-N 1 0 395.311 3.916 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000065931222 836251989 /nfs/dbraw/zinc/25/19/89/836251989.db2.gz WVJAWJGCDSICMA-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO Cc1ccc(C(C)C)c(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930820 836252423 /nfs/dbraw/zinc/25/24/23/836252423.db2.gz ULAMPQCHWCPTBI-UHFFFAOYSA-N 1 0 393.531 3.959 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccccc1Cl ZINC000065930563 836255241 /nfs/dbraw/zinc/25/52/41/836255241.db2.gz NJABGFHYNWHCAL-UHFFFAOYSA-N 1 0 385.895 3.571 20 30 GHEDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582281275 836272725 /nfs/dbraw/zinc/27/27/25/836272725.db2.gz GZXVUOHETSHHBY-OAQYLSRUSA-N 1 0 392.459 3.872 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(C)cc3)c2CCC)CC1 ZINC000429981425 844145546 /nfs/dbraw/zinc/14/55/46/844145546.db2.gz XYRQGAZMGWAJSP-UHFFFAOYSA-N 1 0 380.536 3.904 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000548938311 836380075 /nfs/dbraw/zinc/38/00/75/836380075.db2.gz OYFYIXLCLYGBEC-WOJBJXKFSA-N 1 0 394.567 3.925 20 30 GHEDRO N#Cc1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)o1 ZINC000280286452 836481940 /nfs/dbraw/zinc/48/19/40/836481940.db2.gz NURAAOWEIMLONT-AWEZNQCLSA-N 1 0 389.171 3.756 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000540888945 836492378 /nfs/dbraw/zinc/49/23/78/836492378.db2.gz QKBBRVANGYVLMU-HZPDHXFCSA-N 1 0 389.927 3.563 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000179999398 836568657 /nfs/dbraw/zinc/56/86/57/836568657.db2.gz FQOBUXIHIFRPSB-WOJBJXKFSA-N 1 0 378.432 3.703 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000175510061 836586811 /nfs/dbraw/zinc/58/68/11/836586811.db2.gz JLRFNFJZOBCZSI-JXFKEZNVSA-N 1 0 380.467 3.550 20 30 GHEDRO C[NH2+][C@H]1CC[C@H](Oc2c(Br)cc(C#N)cc2Br)CC1 ZINC001218187615 836650535 /nfs/dbraw/zinc/65/05/35/836650535.db2.gz KKGJKBHEXDUWIV-XYPYZODXSA-N 1 0 388.103 3.993 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000570409029 836823680 /nfs/dbraw/zinc/82/36/80/836823680.db2.gz NAGVKDALPTXRGN-SFHVURJKSA-N 1 0 375.394 3.804 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000247118942 836857962 /nfs/dbraw/zinc/85/79/62/836857962.db2.gz UKOJBWMTXUZEQI-FXAWDEMLSA-N 1 0 397.544 3.976 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000180058905 836978764 /nfs/dbraw/zinc/97/87/64/836978764.db2.gz NUMMPPXGZKRKTK-UHFFFAOYSA-N 1 0 387.487 3.965 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000414340919 837228865 /nfs/dbraw/zinc/22/88/65/837228865.db2.gz HNMCEWHQKIHTPG-JOCHJYFZSA-N 1 0 378.495 3.530 20 30 GHEDRO CS(=O)(=O)c1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000414348719 837285390 /nfs/dbraw/zinc/28/53/90/837285390.db2.gz JMZQCXMUVYXMDJ-UHFFFAOYSA-N 1 0 390.530 3.503 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(Br)c1 ZINC000181117025 837843657 /nfs/dbraw/zinc/84/36/57/837843657.db2.gz ZOHBTVJXCNDRED-MRXNPFEDSA-N 1 0 396.292 3.743 20 30 GHEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4cccc(C#N)c4)C3)nc2c1 ZINC000181159843 837858489 /nfs/dbraw/zinc/85/84/89/837858489.db2.gz HAQMYWOZGFVGLJ-SFHVURJKSA-N 1 0 387.487 3.951 20 30 GHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000177109789 837864690 /nfs/dbraw/zinc/86/46/90/837864690.db2.gz NJXLZWBGVNSHIP-UHFFFAOYSA-N 1 0 391.515 3.798 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)n(-c2ccc(C#N)cc2)n1 ZINC000415699568 838000527 /nfs/dbraw/zinc/00/05/27/838000527.db2.gz JKZWXUSNYDWLSK-QGZVFWFLSA-N 1 0 382.512 3.536 20 30 GHEDRO COc1ccccc1[C@H]1CNCCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000415771766 838083502 /nfs/dbraw/zinc/08/35/02/838083502.db2.gz DMHBWQYGDXEDCP-GOSISDBHSA-N 1 0 384.867 3.593 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000415798594 838114438 /nfs/dbraw/zinc/11/44/38/838114438.db2.gz BCGGWVZPXSGKRH-SWLSCSKDSA-N 1 0 382.302 3.605 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728268357 838343276 /nfs/dbraw/zinc/34/32/76/838343276.db2.gz YGZOZJHBWKBYDZ-FUHWJXTLSA-N 1 0 378.520 3.816 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000066726121 838464205 /nfs/dbraw/zinc/46/42/05/838464205.db2.gz QYSIBUJYMPTIGZ-UHFFFAOYSA-N 1 0 381.545 3.902 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000188024388 838488554 /nfs/dbraw/zinc/48/85/54/838488554.db2.gz GVLZIUVNPZEXGG-UHFFFAOYSA-N 1 0 385.552 3.810 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175861344 838559643 /nfs/dbraw/zinc/55/96/43/838559643.db2.gz DDVMRECSMRFXAW-OALUTQOASA-N 1 0 383.517 3.927 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000048149534 844342190 /nfs/dbraw/zinc/34/21/90/844342190.db2.gz CLYPIDGCFGFCAU-NRFANRHFSA-N 1 0 394.519 3.589 20 30 GHEDRO CC[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000610347706 838590287 /nfs/dbraw/zinc/59/02/87/838590287.db2.gz HVGZHUMFJKNQQF-VGSWGCGISA-N 1 0 376.504 3.755 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1ccccc1 ZINC000416135328 838603131 /nfs/dbraw/zinc/60/31/31/838603131.db2.gz KMVGJONFDUNUCM-ROUUACIJSA-N 1 0 386.293 3.823 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000215876163 838661955 /nfs/dbraw/zinc/66/19/55/838661955.db2.gz KVEXMWQIOMZGKY-YOEHRIQHSA-N 1 0 377.431 3.792 20 30 GHEDRO NC(=NOCc1nnc(-c2ccccc2)o1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000170641640 838696371 /nfs/dbraw/zinc/69/63/71/838696371.db2.gz NLTJRPSIEOWXRY-UHFFFAOYSA-N 1 0 391.475 3.560 20 30 GHEDRO COCCO[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000549409924 838744559 /nfs/dbraw/zinc/74/45/59/838744559.db2.gz LDMSLPCNHJIUBN-HSZRJFAPSA-N 1 0 380.488 3.765 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000047750288 838819307 /nfs/dbraw/zinc/81/93/07/838819307.db2.gz HANSTFNMHFSMCV-HTAPYJJXSA-N 1 0 392.503 3.764 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000580131758 838930201 /nfs/dbraw/zinc/93/02/01/838930201.db2.gz BBFIVHMXDZOBIX-HXUWFJFHSA-N 1 0 388.519 3.627 20 30 GHEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000414935746 838993202 /nfs/dbraw/zinc/99/32/02/838993202.db2.gz CHJRICOFNYGSND-FQEVSTJZSA-N 1 0 393.491 3.648 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000549167244 839138271 /nfs/dbraw/zinc/13/82/71/839138271.db2.gz SOSYPOXOCCLTOG-OAHLLOKOSA-N 1 0 375.394 3.800 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415082990 839179644 /nfs/dbraw/zinc/17/96/44/839179644.db2.gz MOBVHHBAJXZRCN-IRXDYDNUSA-N 1 0 394.475 3.998 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415111596 839213259 /nfs/dbraw/zinc/21/32/59/839213259.db2.gz ABTFKJQHROVBOT-PKOBYXMFSA-N 1 0 378.476 3.695 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415121298 839241249 /nfs/dbraw/zinc/24/12/49/839241249.db2.gz JUNUFLQIHXPVMH-SJORKVTESA-N 1 0 378.476 3.660 20 30 GHEDRO CC(C)(C)OC(=O)N(CCC[NH2+]Cc1ccc(C#N)s1)Cc1cccnc1 ZINC000312212883 839371379 /nfs/dbraw/zinc/37/13/79/839371379.db2.gz YSKBBRGIGZWJPB-UHFFFAOYSA-N 1 0 386.521 3.932 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549252417 839601775 /nfs/dbraw/zinc/60/17/75/839601775.db2.gz PFIJAZMTQJOZEU-RXVVDRJESA-N 1 0 392.551 3.678 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549252418 839602264 /nfs/dbraw/zinc/60/22/64/839602264.db2.gz PFIJAZMTQJOZEU-WIYYLYMNSA-N 1 0 392.551 3.678 20 30 GHEDRO C=CCn1c([C@@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000580484912 839649641 /nfs/dbraw/zinc/64/96/41/839649641.db2.gz FKZYUYLBSWUKID-SFHVURJKSA-N 1 0 378.524 3.562 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000415383230 839683601 /nfs/dbraw/zinc/68/36/01/839683601.db2.gz BKVLNEFZRFWVPN-OAQYLSRUSA-N 1 0 395.503 3.520 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415568201 839988838 /nfs/dbraw/zinc/98/88/38/839988838.db2.gz KMWIXWZAKSKMDO-PKOBYXMFSA-N 1 0 397.498 3.769 20 30 GHEDRO C[NH+]=C(NCc1ccn(C2CCCC2)n1)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000261766087 844501931 /nfs/dbraw/zinc/50/19/31/844501931.db2.gz NMUOMFODUTWWRA-KKSFZXQISA-N 1 0 399.514 3.675 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000513118455 844515357 /nfs/dbraw/zinc/51/53/57/844515357.db2.gz LALUSHFCKPARQA-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO CC(C)C[C@H](C[NH3+])NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000418441206 840231759 /nfs/dbraw/zinc/23/17/59/840231759.db2.gz LSJDFSBNBXOFIL-OAQYLSRUSA-N 1 0 382.483 3.783 20 30 GHEDRO N#Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)cc1 ZINC000185576428 840240980 /nfs/dbraw/zinc/24/09/80/840240980.db2.gz NGUIGXLZPOZDJU-UHFFFAOYSA-O 1 0 386.500 3.617 20 30 GHEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000555548211 861192198 /nfs/dbraw/zinc/19/21/98/861192198.db2.gz NPHPNWVWLCVNBV-FGZHOGPDSA-N 1 0 389.499 3.680 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000416946228 840302118 /nfs/dbraw/zinc/30/21/18/840302118.db2.gz NWBXSHNBZSGDJQ-HKUYNNGSSA-N 1 0 393.453 3.621 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934012116 844525744 /nfs/dbraw/zinc/52/57/44/844525744.db2.gz SZKHVUSZTGHTHM-RDJZCZTQSA-N 1 0 375.538 3.550 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000580861694 840351406 /nfs/dbraw/zinc/35/14/06/840351406.db2.gz MIITYQXRHGWOLX-BBWFWOEESA-N 1 0 387.503 3.662 20 30 GHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508799815 844548217 /nfs/dbraw/zinc/54/82/17/844548217.db2.gz BUEAXNZGNYTAAK-GOSISDBHSA-N 1 0 377.492 3.942 20 30 GHEDRO Cc1ccc([C@H](c2nc(-c3ccc(C#N)c(C)c3)no2)N2CCC[C@@H]([NH3+])C2)cc1 ZINC001211824354 844548398 /nfs/dbraw/zinc/54/83/98/844548398.db2.gz CTZYTSHEKFFLJY-NHCUHLMSSA-N 1 0 387.487 3.738 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000584689886 840563400 /nfs/dbraw/zinc/56/34/00/840563400.db2.gz KPNUPLUUQLWDSO-UZLBHIALSA-N 1 0 390.405 3.885 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)ccc1Cl ZINC000511738796 840579382 /nfs/dbraw/zinc/57/93/82/840579382.db2.gz QSOAQPWAJMHVTR-GOSISDBHSA-N 1 0 382.895 3.733 20 30 GHEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1OCCc2ccccc21 ZINC000278837571 840615494 /nfs/dbraw/zinc/61/54/94/840615494.db2.gz APKBKXVGEOGUHF-QFIPXVFZSA-N 1 0 387.487 3.605 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000160772057 840739690 /nfs/dbraw/zinc/73/96/90/840739690.db2.gz AGIPMNPJPSGPSZ-KRWDZBQOSA-N 1 0 376.501 3.504 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000417391217 840807707 /nfs/dbraw/zinc/80/77/07/840807707.db2.gz RIBRQBANJOTBQL-FOIQADDNSA-N 1 0 393.487 3.960 20 30 GHEDRO O=C(NCCN[C@H](c1ccc(F)cc1)c1ccccc1Cl)C1N=CC=CC1=O ZINC000588401840 840845848 /nfs/dbraw/zinc/84/58/48/840845848.db2.gz ZAXNAHGJDABRFT-UOFXHNCJSA-N 1 0 399.853 3.685 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)ccc1OC ZINC000093016477 840861135 /nfs/dbraw/zinc/86/11/35/840861135.db2.gz TWYGOQLMMGVOLM-UHFFFAOYSA-N 1 0 387.549 3.815 20 30 GHEDRO CN(Cc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477058559 841016739 /nfs/dbraw/zinc/01/67/39/841016739.db2.gz AOBRDDQSQJXNFP-KRWDZBQOSA-N 1 0 388.254 3.629 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417933191 841287410 /nfs/dbraw/zinc/28/74/10/841287410.db2.gz NVOLTBOSJMJSOQ-BQFCYCMXSA-N 1 0 381.442 3.964 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417941697 841300979 /nfs/dbraw/zinc/30/09/79/841300979.db2.gz SEMCDMGRYRWYPH-SQNIBIBYSA-N 1 0 399.457 3.860 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(C)cc1 ZINC000027308953 841370787 /nfs/dbraw/zinc/37/07/87/841370787.db2.gz XVVNZGGEMUXYAN-UHFFFAOYSA-O 1 0 385.553 3.755 20 30 GHEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599429648 861202013 /nfs/dbraw/zinc/20/20/13/861202013.db2.gz ZCDHKKNDLGXJJE-PMACEKPBSA-N 1 0 378.944 3.958 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1OC ZINC000623563449 861206108 /nfs/dbraw/zinc/20/61/08/861206108.db2.gz YJULBMKKODRTCV-KRWDZBQOSA-N 1 0 386.879 3.591 20 30 GHEDRO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599453474 861207912 /nfs/dbraw/zinc/20/79/12/861207912.db2.gz RQKZNLRTKLJENP-MAUKXSAKSA-N 1 0 392.927 3.729 20 30 GHEDRO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1COCCN1C1CCCC1 ZINC000329255507 861208687 /nfs/dbraw/zinc/20/86/87/861208687.db2.gz AOKXJJHHMXDJBP-KRWDZBQOSA-N 1 0 394.899 3.601 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)nnn1-c1cccc(C)c1 ZINC000329253804 861209296 /nfs/dbraw/zinc/20/92/96/861209296.db2.gz ZLAKELIGSCVHHB-UHFFFAOYSA-N 1 0 381.524 3.843 20 30 GHEDRO C[C@@]1(Cc2ccccc2Cl)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599462007 861212107 /nfs/dbraw/zinc/21/21/07/861212107.db2.gz LMCNVDJAZFUCJQ-ICSRJNTNSA-N 1 0 376.928 3.808 20 30 GHEDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418143911 841554796 /nfs/dbraw/zinc/55/47/96/841554796.db2.gz JNBIEZKEODADAT-IERDGZPVSA-N 1 0 377.488 3.872 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)c1 ZINC000123177809 841631668 /nfs/dbraw/zinc/63/16/68/841631668.db2.gz LFSFRDJQMBMBSU-UHFFFAOYSA-N 1 0 394.515 3.788 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC000603840554 861231463 /nfs/dbraw/zinc/23/14/63/861231463.db2.gz UDVJIGWPVRCWIU-QFIPXVFZSA-N 1 0 382.479 3.586 20 30 GHEDRO C=CC(C)(C)CC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000623593045 861231749 /nfs/dbraw/zinc/23/17/49/861231749.db2.gz QVJXGJPONKQJGR-ZDUSSCGKSA-N 1 0 383.330 3.654 20 30 GHEDRO CSc1nc(C2CC2)cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1C#N ZINC000581633839 841845199 /nfs/dbraw/zinc/84/51/99/841845199.db2.gz KVEYQLPNXLNFRK-UZLBHIALSA-N 1 0 397.504 3.528 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]C3(c4cccc(Br)c4)CCC3)cnc12 ZINC000549549577 841924950 /nfs/dbraw/zinc/92/49/50/841924950.db2.gz BCTBPDXBWQQVIS-UHFFFAOYSA-N 1 0 382.265 3.532 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCC#Cc1cccc(F)c1 ZINC000558916137 841954036 /nfs/dbraw/zinc/95/40/36/841954036.db2.gz YVNHYWVBYGFAEH-OALUTQOASA-N 1 0 393.506 3.633 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c(OC)c1 ZINC000604394703 842002805 /nfs/dbraw/zinc/00/28/05/842002805.db2.gz WXFMCQNYSAZWMH-RTWAWAEBSA-N 1 0 399.556 3.954 20 30 GHEDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2cccc3c2CCC3)CC1 ZINC000329300550 861264322 /nfs/dbraw/zinc/26/43/22/861264322.db2.gz VPOKRSIUZXHEQS-UHFFFAOYSA-N 1 0 377.488 3.589 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)CNc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000609480956 842103026 /nfs/dbraw/zinc/10/30/26/842103026.db2.gz CQGSEIOVQSKACV-GOSISDBHSA-N 1 0 376.504 3.750 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661874754 842262916 /nfs/dbraw/zinc/26/29/16/842262916.db2.gz KFXHJAUHBYHOMK-BJLQDIEVSA-N 1 0 376.566 3.932 20 30 GHEDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106772078 842278465 /nfs/dbraw/zinc/27/84/65/842278465.db2.gz TXZZXKGUAISMID-UHFFFAOYSA-N 1 0 381.451 3.903 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)nc1 ZINC000585794476 842314081 /nfs/dbraw/zinc/31/40/81/842314081.db2.gz ZMKBHEQMMSIAFS-PGRDOPGGSA-N 1 0 376.504 3.680 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCCC[C@@H]3c3ccnn3C)CC2)CC1 ZINC000329335847 861297563 /nfs/dbraw/zinc/29/75/63/861297563.db2.gz OVQZXQUFSAVQSV-GZNCHQMQSA-N 1 0 387.572 3.904 20 30 GHEDRO O=C(CN1CC[C@H](n2ncc3ccccc32)C1)Nc1nc2c(s1)CCCC2 ZINC000329343046 861305862 /nfs/dbraw/zinc/30/58/62/861305862.db2.gz PWVRMKUIARHQQV-HNNXBMFYSA-N 1 0 381.505 3.907 20 30 GHEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000175969808 842490274 /nfs/dbraw/zinc/49/02/74/842490274.db2.gz KKFQFYVRJIRGPX-UHFFFAOYSA-N 1 0 398.429 3.588 20 30 GHEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329352632 861317313 /nfs/dbraw/zinc/31/73/13/861317313.db2.gz DWDSUJFDHOITFO-RDPSFJRHSA-N 1 0 392.499 3.972 20 30 GHEDRO C=CCOCCNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000652511690 842648399 /nfs/dbraw/zinc/64/83/99/842648399.db2.gz KZGFCIRYSCCNQB-NRFANRHFSA-N 1 0 385.552 3.521 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000107527250 842650646 /nfs/dbraw/zinc/65/06/46/842650646.db2.gz CYNRJJXWONSDRN-LJQANCHMSA-N 1 0 393.487 3.821 20 30 GHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000175983755 842664474 /nfs/dbraw/zinc/66/44/74/842664474.db2.gz FQUWAJZITSGYPO-UHFFFAOYSA-N 1 0 394.447 3.817 20 30 GHEDRO C=CCN1CC(=O)N(C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000761350954 861333273 /nfs/dbraw/zinc/33/32/73/861333273.db2.gz CCGCNSUDQATDAG-QAPCUYQASA-N 1 0 395.425 3.539 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)CCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000021072074 842818080 /nfs/dbraw/zinc/81/80/80/842818080.db2.gz UODZCGICGGYCKD-QFIPXVFZSA-N 1 0 379.504 3.699 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000609499373 842892956 /nfs/dbraw/zinc/89/29/56/842892956.db2.gz CGHSDMXKFJEEGJ-UHFFFAOYSA-N 1 0 391.515 3.672 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cc2)C1 ZINC000120342967 842947945 /nfs/dbraw/zinc/94/79/45/842947945.db2.gz UQOKCCOSKXBPNI-OAHLLOKOSA-N 1 0 383.442 3.998 20 30 GHEDRO CCN(CC(=O)Nc1ccccc1C(=O)NC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125755202 843032645 /nfs/dbraw/zinc/03/26/45/843032645.db2.gz JJXSHPSNJKOZIL-KRWDZBQOSA-N 1 0 392.503 3.718 20 30 GHEDRO N#CCCN(C(=O)CN1CC[C@@H](OCCCc2ccccc2)C1)c1ccccc1 ZINC000430910538 843169202 /nfs/dbraw/zinc/16/92/02/843169202.db2.gz VICHKLQLUOYDRQ-HSZRJFAPSA-N 1 0 391.515 3.657 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000512250645 843223888 /nfs/dbraw/zinc/22/38/88/843223888.db2.gz DAFXTJHUPKDZRM-UHFFFAOYSA-N 1 0 382.479 3.668 20 30 GHEDRO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000279719993 843266482 /nfs/dbraw/zinc/26/64/82/843266482.db2.gz LMGZAMLNVDDNGX-YJBOKZPZSA-N 1 0 378.476 3.596 20 30 GHEDRO CC(C)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000481443229 861401326 /nfs/dbraw/zinc/40/13/26/861401326.db2.gz YOEIAGUZQLVXNV-IRLDBZIGSA-N 1 0 379.504 3.729 20 30 GHEDRO CC(C)N(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843695487 843342448 /nfs/dbraw/zinc/34/24/48/843342448.db2.gz CBRXTFHNSZOQNY-QFIPXVFZSA-N 1 0 391.515 3.643 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)cc1 ZINC000512317522 843358782 /nfs/dbraw/zinc/35/87/82/843358782.db2.gz CMTGBMJJIYHZEL-JOCHJYFZSA-N 1 0 391.515 3.821 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1nc(C2CC2)no1 ZINC000613997378 843368010 /nfs/dbraw/zinc/36/80/10/843368010.db2.gz XYCXAIUGQWPLSE-CQSZACIVSA-N 1 0 388.541 3.606 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610660818 843432546 /nfs/dbraw/zinc/43/25/46/843432546.db2.gz FXSVCJJIKDNNTE-UHFFFAOYSA-N 1 0 381.480 3.797 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nc(C(F)(F)F)cs2)c1 ZINC000178578387 843456766 /nfs/dbraw/zinc/45/67/66/843456766.db2.gz UCDKRKPBFZPLNQ-UHFFFAOYSA-N 1 0 388.415 3.886 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)CC2)cc1 ZINC000159286780 843459100 /nfs/dbraw/zinc/45/91/00/843459100.db2.gz UHUDSYGGGATEJY-CTNGQTDRSA-N 1 0 395.453 3.674 20 30 GHEDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000731034645 861421072 /nfs/dbraw/zinc/42/10/72/861421072.db2.gz KMUHWWVFMIAZME-MSOLQXFVSA-N 1 0 378.476 3.505 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCC(=O)Nc3ccccc3Cl)CCOCC2)cc1 ZINC000599632252 861422255 /nfs/dbraw/zinc/42/22/55/861422255.db2.gz YMYJCPSGAUSACW-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000043835216 843535219 /nfs/dbraw/zinc/53/52/19/843535219.db2.gz KVSIRIMWGNEAJL-GOSISDBHSA-N 1 0 388.581 3.603 20 30 GHEDRO C[C@H](CCCC[NH3+])NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000418695343 843542885 /nfs/dbraw/zinc/54/28/85/843542885.db2.gz LIJFASJQEIXMDP-QGZVFWFLSA-N 1 0 382.483 3.927 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@H]1[NH+](C)C ZINC000759945723 843628988 /nfs/dbraw/zinc/62/89/88/843628988.db2.gz NYLLTAILYIMBMK-PWRODBHTSA-N 1 0 394.544 3.851 20 30 GHEDRO Cc1cc(NC(=O)Nc2cccc(OCCCC#N)c2)n(C2CC[NH+](C)CC2)n1 ZINC000431150167 843695442 /nfs/dbraw/zinc/69/54/42/843695442.db2.gz KEPHNQMCLISBDO-UHFFFAOYSA-N 1 0 396.495 3.785 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N2CCC(CCC#N)CC2)[NH+]2CCCC2)cc1 ZINC000563034307 843793872 /nfs/dbraw/zinc/79/38/72/843793872.db2.gz DYULNCOXJJRRBB-NRFANRHFSA-N 1 0 384.524 3.557 20 30 GHEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CCC1)N(C)Cc1ccon1 ZINC000261663192 843804851 /nfs/dbraw/zinc/80/48/51/843804851.db2.gz BDHVTPMHXNRVKB-UHFFFAOYSA-N 1 0 391.313 3.566 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000433210218 843872667 /nfs/dbraw/zinc/87/26/67/843872667.db2.gz UWVDRQGNUJVZLR-UHFFFAOYSA-N 1 0 394.494 3.542 20 30 GHEDRO C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000481463303 861468348 /nfs/dbraw/zinc/46/83/48/861468348.db2.gz YGAVINMPJVFCQP-APWZRJJASA-N 1 0 381.480 3.577 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)cc1 ZINC000731113895 861474197 /nfs/dbraw/zinc/47/41/97/861474197.db2.gz XDSLDZYZSQTLCH-JOCHJYFZSA-N 1 0 395.503 3.912 20 30 GHEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000329460640 861476981 /nfs/dbraw/zinc/47/69/81/861476981.db2.gz PHGVPLZGWXZJFA-HNNXBMFYSA-N 1 0 394.585 3.761 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2cccc3cccnc32)c(-c2ccncc2)n1 ZINC000433305017 843993277 /nfs/dbraw/zinc/99/32/77/843993277.db2.gz OVTMOMHIVBSRQM-UHFFFAOYSA-N 1 0 382.471 3.739 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000410640464 844007785 /nfs/dbraw/zinc/00/77/85/844007785.db2.gz JIJKMCVHKQFWQY-FQEVSTJZSA-N 1 0 391.600 3.694 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c(C#N)c1C ZINC000433318206 844008737 /nfs/dbraw/zinc/00/87/37/844008737.db2.gz GGNUXHWIEOOTJI-IBGZPJMESA-N 1 0 383.517 3.669 20 30 GHEDRO CCOC(=O)C[C@@H]1CCN(Cc2cc(Br)ccc2C#N)C[C@@H]1C ZINC001141907868 861505254 /nfs/dbraw/zinc/50/52/54/861505254.db2.gz RSGUYXCNOOESDL-KBPBESRZSA-N 1 0 379.298 3.732 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC000548503608 844920463 /nfs/dbraw/zinc/92/04/63/844920463.db2.gz VRUFGOQXTXMFDF-XMMPIXPASA-N 1 0 384.483 3.980 20 30 GHEDRO C=C(CNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000512680609 845014452 /nfs/dbraw/zinc/01/44/52/845014452.db2.gz CXVIBAQCOWKLBS-WOJBJXKFSA-N 1 0 385.552 3.621 20 30 GHEDRO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(OC)c1 ZINC000599685517 861528121 /nfs/dbraw/zinc/52/81/21/861528121.db2.gz FDTHYJDODZVIIN-VEBBDIFPSA-N 1 0 392.499 3.592 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000599686813 861528603 /nfs/dbraw/zinc/52/86/03/861528603.db2.gz ZKUJAOGKURCFHR-UHFFFAOYSA-N 1 0 398.304 3.902 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(C#N)c3C)CC[N@@H+]2C2CC2)c1 ZINC000512707716 845102188 /nfs/dbraw/zinc/10/21/88/845102188.db2.gz JIJIKIPAXGVDTE-FGZHOGPDSA-N 1 0 375.472 3.583 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)CC1 ZINC000106290981 845148474 /nfs/dbraw/zinc/14/84/74/845148474.db2.gz NPQSCYCMUHAIID-UHFFFAOYSA-N 1 0 398.453 3.966 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000513329340 845250444 /nfs/dbraw/zinc/25/04/44/845250444.db2.gz MYHVTCAPOHPZQF-KRWDZBQOSA-N 1 0 383.521 3.601 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000472006757 845344436 /nfs/dbraw/zinc/34/44/36/845344436.db2.gz AUWODVXJUUTQDE-UHFFFAOYSA-N 1 0 398.595 3.725 20 30 GHEDRO COc1ccc(CC2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000109965471 845384775 /nfs/dbraw/zinc/38/47/75/845384775.db2.gz TWTBDRFTPTZHEM-QHCPKHFHSA-N 1 0 389.499 3.627 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1C#N ZINC000513421184 845392978 /nfs/dbraw/zinc/39/29/78/845392978.db2.gz UFSORIXRBDGQBB-LJQANCHMSA-N 1 0 380.398 3.526 20 30 GHEDRO Cc1cc(-c2noc([C@@H](c3cc4ccccc4o3)N3CC[C@@H]([NH3+])C3)n2)ccc1C#N ZINC001211779084 845444781 /nfs/dbraw/zinc/44/47/81/845444781.db2.gz RIUAZXBEARDSCD-WIYYLYMNSA-N 1 0 399.454 3.785 20 30 GHEDRO C=CCCCC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000472036706 845519126 /nfs/dbraw/zinc/51/91/26/845519126.db2.gz FIUKNTUYLUBEJL-UHFFFAOYSA-N 1 0 375.250 3.754 20 30 GHEDRO Cc1csc([C@@H]2CCC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000182726561 845530862 /nfs/dbraw/zinc/53/08/62/845530862.db2.gz JIXMGFRZFXSXMI-IEBWSBKVSA-N 1 0 380.517 3.698 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000375656940 845964666 /nfs/dbraw/zinc/96/46/66/845964666.db2.gz TWXDLRZCKFTDQK-ZRCGQRJVSA-N 1 0 397.563 3.812 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000609385692 845968730 /nfs/dbraw/zinc/96/87/30/845968730.db2.gz DMUVMGIQQKRRDY-CVEARBPZSA-N 1 0 388.581 3.536 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609385572 845971191 /nfs/dbraw/zinc/97/11/91/845971191.db2.gz BJTGLZKMOGIUOV-HOTGVXAUSA-N 1 0 388.581 3.678 20 30 GHEDRO CC[C@@H]1C[C@]1([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(C)c1 ZINC000502560602 846204941 /nfs/dbraw/zinc/20/49/41/846204941.db2.gz RPXIOKMBLSCSGC-NTKDMRAZSA-N 1 0 399.498 3.906 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000280244348 846335374 /nfs/dbraw/zinc/33/53/74/846335374.db2.gz BBUGYBYMFSXBKV-JKSUJKDBSA-N 1 0 375.538 3.502 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000551487380 846394248 /nfs/dbraw/zinc/39/42/48/846394248.db2.gz XLTVXUAKSFIEBR-HUUCEWRRSA-N 1 0 385.533 3.701 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[NH+](C)C)C2)cc1OCC ZINC000179632702 861674214 /nfs/dbraw/zinc/67/42/14/861674214.db2.gz GPNXQKXFYRNDOC-OAHLLOKOSA-N 1 0 397.357 3.796 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000280732391 846514153 /nfs/dbraw/zinc/51/41/53/846514153.db2.gz RDELJGDGXJKSLN-KKSFZXQISA-N 1 0 378.476 3.705 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1 ZINC000419405675 846528850 /nfs/dbraw/zinc/52/88/50/846528850.db2.gz SZVVDTOZARQEOR-NHCUHLMSSA-N 1 0 380.467 3.677 20 30 GHEDRO C=CCC[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000513702936 846528870 /nfs/dbraw/zinc/52/88/70/846528870.db2.gz OUJSIZLCBFRLJI-FQEVSTJZSA-N 1 0 385.483 3.755 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)cc1 ZINC000511093358 846691259 /nfs/dbraw/zinc/69/12/59/846691259.db2.gz VMSYPLUVYISNEG-AVRDEDQJSA-N 1 0 386.442 3.860 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419642588 846713017 /nfs/dbraw/zinc/71/30/17/846713017.db2.gz NROYIFJZDRJIJM-QFIPXVFZSA-N 1 0 394.494 3.848 20 30 GHEDRO COc1cc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(F)cc1C#N ZINC000599819812 861728376 /nfs/dbraw/zinc/72/83/76/861728376.db2.gz RAVOYMUWQKNNOK-MRXNPFEDSA-N 1 0 396.466 3.834 20 30 GHEDRO Cc1cc(NC(=O)c2cc(C#N)cs2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000366513055 846942784 /nfs/dbraw/zinc/94/27/84/846942784.db2.gz KNEBXSITYFOMIB-GOSISDBHSA-N 1 0 391.500 3.824 20 30 GHEDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000478246552 847022838 /nfs/dbraw/zinc/02/28/38/847022838.db2.gz BIULBYNSPGGCER-QZXCRCNTSA-N 1 0 378.501 3.547 20 30 GHEDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)c(C)c2c1 ZINC000582387108 847050160 /nfs/dbraw/zinc/05/01/60/847050160.db2.gz ICDJKLIZMSQQCX-AEFFLSMTSA-N 1 0 394.471 3.906 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1C#N ZINC000248582541 861748343 /nfs/dbraw/zinc/74/83/43/861748343.db2.gz WLUYDXCQNWWOKC-STXHMFSFSA-N 1 0 382.508 3.971 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277587232 847152597 /nfs/dbraw/zinc/15/25/97/847152597.db2.gz WLBOUVIESGEEGF-SJORKVTESA-N 1 0 390.553 3.561 20 30 GHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)nc1 ZINC000329614818 861777237 /nfs/dbraw/zinc/77/72/37/861777237.db2.gz FGFPDMFRNCVBRV-ROUUACIJSA-N 1 0 386.540 3.727 20 30 GHEDRO CN(C(=O)C[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1)C1(C#N)CCCCC1 ZINC000273371952 847319634 /nfs/dbraw/zinc/31/96/34/847319634.db2.gz BYNKIUZFTHIPFW-PMACEKPBSA-N 1 0 387.499 3.662 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2cncc(C#N)n2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000420593381 847330416 /nfs/dbraw/zinc/33/04/16/847330416.db2.gz BRJKKQOVUUPWIB-KSSFIOAISA-N 1 0 375.398 3.862 20 30 GHEDRO CCN(C(=O)COc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501955160 847359596 /nfs/dbraw/zinc/35/95/96/847359596.db2.gz KJASLRNYGJXGSX-WIYYLYMNSA-N 1 0 377.488 3.621 20 30 GHEDRO CCCCN(CCCC)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502167677 847547737 /nfs/dbraw/zinc/54/77/37/847547737.db2.gz BICFJPHBNHLVFI-UHFFFAOYSA-N 1 0 398.551 3.638 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000420946456 847568341 /nfs/dbraw/zinc/56/83/41/847568341.db2.gz SMKODBYPIDMHPE-DYESRHJHSA-N 1 0 380.488 3.596 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1csc(-c2ccc(F)cc2)n1 ZINC000329076936 847584136 /nfs/dbraw/zinc/58/41/36/847584136.db2.gz AYVLQBRGQAHNPA-UHFFFAOYSA-N 1 0 389.496 3.899 20 30 GHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108304843 847694089 /nfs/dbraw/zinc/69/40/89/847694089.db2.gz UHHQJMZDJFUYLI-SFHVURJKSA-N 1 0 377.513 3.924 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[NH+]2CCCC2)cc1 ZINC000503495980 847749287 /nfs/dbraw/zinc/74/92/87/847749287.db2.gz QSHLORBPWSDCJA-HXUWFJFHSA-N 1 0 383.879 3.787 20 30 GHEDRO N#Cc1cc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)nc2ccccc12 ZINC000582630638 847867278 /nfs/dbraw/zinc/86/72/78/847867278.db2.gz UIOXDEFVWNAHCQ-UHFFFAOYSA-N 1 0 388.496 3.908 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1cccc(Cl)c1 ZINC000502483559 847940041 /nfs/dbraw/zinc/94/00/41/847940041.db2.gz JDPVBJAEYCGMIK-HZPDHXFCSA-N 1 0 385.842 3.727 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329637961 861858675 /nfs/dbraw/zinc/85/86/75/861858675.db2.gz VWCQLVCRKIEJLO-PMACEKPBSA-N 1 0 379.508 3.648 20 30 GHEDRO N#Cc1cccc(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000158758058 848080333 /nfs/dbraw/zinc/08/03/33/848080333.db2.gz SPPLSUPQVWNQPY-UHFFFAOYSA-N 1 0 383.542 3.838 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc2c(s1)CCCC2 ZINC000604128976 861863671 /nfs/dbraw/zinc/86/36/71/861863671.db2.gz FKLMXCHJYTZNIQ-UHFFFAOYSA-N 1 0 396.560 3.772 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000329097652 848130658 /nfs/dbraw/zinc/13/06/58/848130658.db2.gz YPPGYDJKJDUEFL-IIBYNOLFSA-N 1 0 389.927 3.891 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000472249544 848166489 /nfs/dbraw/zinc/16/64/89/848166489.db2.gz JRRIFIRUYWRZPF-OOMBGRCJSA-N 1 0 392.547 3.600 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000604147717 861893135 /nfs/dbraw/zinc/89/31/35/861893135.db2.gz BVPLZKBBPYYGDP-QFIPXVFZSA-N 1 0 379.504 3.600 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509160464 861895989 /nfs/dbraw/zinc/89/59/89/861895989.db2.gz HPVKQYUIWMLCOU-HXUWFJFHSA-N 1 0 385.471 3.763 20 30 GHEDRO N#CCCCOc1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356563 861927562 /nfs/dbraw/zinc/92/75/62/861927562.db2.gz RPUKXYPRWOBZJK-XMMPIXPASA-N 1 0 393.531 3.750 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1OCC(C)C ZINC000180098842 861952804 /nfs/dbraw/zinc/95/28/04/861952804.db2.gz XYJNJPHRIDXEJU-KRWDZBQOSA-N 1 0 387.524 3.723 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(c3ccccc3)CCOCC1)CCC2 ZINC000583010700 848880037 /nfs/dbraw/zinc/88/00/37/848880037.db2.gz PTOHDDKFTIDKAK-UHFFFAOYSA-N 1 0 395.528 3.733 20 30 GHEDRO C=CCn1c(CC)nnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000583096145 849049559 /nfs/dbraw/zinc/04/95/59/849049559.db2.gz SNBTUZWIJNVYNI-UHFFFAOYSA-N 1 0 387.531 3.938 20 30 GHEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000731928015 861974921 /nfs/dbraw/zinc/97/49/21/861974921.db2.gz AOPPXHBQDHFSDL-UHFFFAOYSA-N 1 0 380.970 3.818 20 30 GHEDRO COC(=O)c1ccc(NCc2ccccc2C[NH+]2CCCCCC2)c(C#N)n1 ZINC000583214988 849357437 /nfs/dbraw/zinc/35/74/37/849357437.db2.gz WXMZFKISKLNFDH-UHFFFAOYSA-N 1 0 378.476 3.728 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162742762 849424158 /nfs/dbraw/zinc/42/41/58/849424158.db2.gz FNIAQEPNXBRCKY-GOSISDBHSA-N 1 0 381.520 3.866 20 30 GHEDRO N#Cc1csc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000583256166 849460747 /nfs/dbraw/zinc/46/07/47/849460747.db2.gz YEUHJSNZQVGBRL-UHFFFAOYSA-N 1 0 391.338 3.531 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161670718 849671445 /nfs/dbraw/zinc/67/14/45/849671445.db2.gz DKTITATZYKBBCM-OAHLLOKOSA-N 1 0 389.503 3.503 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(OCC#N)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732058385 862048639 /nfs/dbraw/zinc/04/86/39/862048639.db2.gz TWEIWVCHZIZCCF-SFHVURJKSA-N 1 0 377.488 3.871 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(OC(F)F)c(F)c3)C2=O)cc1 ZINC000503893917 849746470 /nfs/dbraw/zinc/74/64/70/849746470.db2.gz ONCWYPSJSVTFAR-KRWDZBQOSA-N 1 0 389.377 3.584 20 30 GHEDRO CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000503905056 849767719 /nfs/dbraw/zinc/76/77/19/849767719.db2.gz XYXDXCKEHLTKBC-FQEVSTJZSA-N 1 0 393.487 3.641 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000504421166 850066726 /nfs/dbraw/zinc/06/67/26/850066726.db2.gz DUEPELGTXABLPJ-DYESRHJHSA-N 1 0 379.504 3.551 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c(OC)c1 ZINC000518760253 850072867 /nfs/dbraw/zinc/07/28/67/850072867.db2.gz OXGGHNPIOXNBTI-FQEVSTJZSA-N 1 0 380.488 3.743 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000514634483 850081484 /nfs/dbraw/zinc/08/14/84/850081484.db2.gz GDNKYCXYTOHHMV-UHFFFAOYSA-N 1 0 383.540 3.662 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(OC)c1 ZINC000505606861 850099328 /nfs/dbraw/zinc/09/93/28/850099328.db2.gz GXAGXPGDRUAFLQ-HXOBKFHXSA-N 1 0 382.504 3.610 20 30 GHEDRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435136362 850120024 /nfs/dbraw/zinc/12/00/24/850120024.db2.gz BDLWIUHIMOLDEP-JTSKRJEESA-N 1 0 387.487 3.683 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435136155 850120292 /nfs/dbraw/zinc/12/02/92/850120292.db2.gz YXXLKCKNNGHALG-VQTJNVASSA-N 1 0 381.524 3.884 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1C#N ZINC000426454481 850239843 /nfs/dbraw/zinc/23/98/43/850239843.db2.gz PUOGSNSJZMVMDM-PZJWPPBQSA-N 1 0 376.504 3.838 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000514759895 850257648 /nfs/dbraw/zinc/25/76/48/850257648.db2.gz SBIOTWGAOSUONG-IFMALSPDSA-N 1 0 394.515 3.506 20 30 GHEDRO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908691738 850272008 /nfs/dbraw/zinc/27/20/08/850272008.db2.gz ZQMNJMAPZGQYNC-RBUKOAKNSA-N 1 0 387.572 3.591 20 30 GHEDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000481713452 862115564 /nfs/dbraw/zinc/11/55/64/862115564.db2.gz CXTCZKDACHFHNP-LEWJYISDSA-N 1 0 378.472 3.768 20 30 GHEDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000481713453 862115967 /nfs/dbraw/zinc/11/59/67/862115967.db2.gz CXTCZKDACHFHNP-NHCUHLMSSA-N 1 0 378.472 3.768 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000518903749 850326442 /nfs/dbraw/zinc/32/64/42/850326442.db2.gz SGCQJYXFASHHFB-SJORKVTESA-N 1 0 378.476 3.738 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000518922036 850332651 /nfs/dbraw/zinc/33/26/51/850332651.db2.gz RHDDHUGSZOHIMN-RHSMWYFYSA-N 1 0 384.446 3.889 20 30 GHEDRO CC[NH+]=C(NCc1c(C)noc1C)NCc1c(C)cc(Br)cc1C ZINC000261999334 850354030 /nfs/dbraw/zinc/35/40/30/850354030.db2.gz TXNJQJAFIZQHHZ-UHFFFAOYSA-N 1 0 393.329 3.926 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000246309033 850446579 /nfs/dbraw/zinc/44/65/79/850446579.db2.gz GAQJWGNYVRJTCS-IRLDBZIGSA-N 1 0 389.547 3.548 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000505011227 850520209 /nfs/dbraw/zinc/52/02/09/850520209.db2.gz RYLIVPLBRZDBPU-UHFFFAOYSA-N 1 0 384.568 3.877 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)c1 ZINC000515020734 850581343 /nfs/dbraw/zinc/58/13/43/850581343.db2.gz OMNXIDOIPPZOEN-UZUQRXQVSA-N 1 0 377.488 3.679 20 30 GHEDRO C=CCC1(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424751982 850663248 /nfs/dbraw/zinc/66/32/48/850663248.db2.gz WJRLODPLDPVJQP-APWZRJJASA-N 1 0 394.918 3.961 20 30 GHEDRO CC(C)[C@H](CNc1c(C#N)cnc2c(F)ccc(Cl)c21)[NH+]1CCN(C)CC1 ZINC000174676642 850680954 /nfs/dbraw/zinc/68/09/54/850680954.db2.gz GZGFPISUYOSMKT-KRWDZBQOSA-N 1 0 389.906 3.583 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC000329706739 862162709 /nfs/dbraw/zinc/16/27/09/862162709.db2.gz KDBKNSWDSGILLF-DLBZAZTESA-N 1 0 388.487 3.933 20 30 GHEDRO CCCc1c(NC(=O)[C@H](C)[NH+]2CCCCCC2)cnn1-c1cccc(C#N)c1 ZINC000440073270 850743966 /nfs/dbraw/zinc/74/39/66/850743966.db2.gz DZVPBRAHZMAFTP-KRWDZBQOSA-N 1 0 379.508 3.899 20 30 GHEDRO C=C(CNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000487742683 850876738 /nfs/dbraw/zinc/87/67/38/850876738.db2.gz NFNRGRCDRBCIDH-UHFFFAOYSA-N 1 0 393.531 3.920 20 30 GHEDRO C[C@@H](Cc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000513851980 850952380 /nfs/dbraw/zinc/95/23/80/850952380.db2.gz AODWYUSHYFNFBK-KRWDZBQOSA-N 1 0 383.923 3.981 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487950276 851013874 /nfs/dbraw/zinc/01/38/74/851013874.db2.gz GOLFHDOENLIYPL-CQSZACIVSA-N 1 0 393.329 3.810 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCC(=O)Nc4ccccc43)C2)c(F)c1 ZINC000543403246 851060205 /nfs/dbraw/zinc/06/02/05/851060205.db2.gz SIKOHCGNMWNMFM-UZLBHIALSA-N 1 0 378.451 3.729 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000435996822 851061289 /nfs/dbraw/zinc/06/12/89/851061289.db2.gz RAGJOFADDKILRF-FZMZJTMJSA-N 1 0 390.306 3.838 20 30 GHEDRO C=CCN(CC(=O)N1CCCc2cc(OC)ccc21)Cc1ccc(OC)cc1 ZINC000515509098 851106621 /nfs/dbraw/zinc/10/66/21/851106621.db2.gz TZTGGAJQEJSMFO-UHFFFAOYSA-N 1 0 380.488 3.671 20 30 GHEDRO CCC1(CNC(=O)c2ccc(C#N)c(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000514054612 851177254 /nfs/dbraw/zinc/17/72/54/851177254.db2.gz SBNMTIQDCLPBNN-UHFFFAOYSA-N 1 0 376.504 3.684 20 30 GHEDRO Cc1ccn(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)n1 ZINC000434496095 851201704 /nfs/dbraw/zinc/20/17/04/851201704.db2.gz FOSHFPFAWJUBKY-HXUWFJFHSA-N 1 0 393.535 3.781 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425476086 851256557 /nfs/dbraw/zinc/25/65/57/851256557.db2.gz NJZCISVCOYPTIE-ZWKOTPCHSA-N 1 0 391.519 3.881 20 30 GHEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604522337 862244688 /nfs/dbraw/zinc/24/46/88/862244688.db2.gz NMWXZLYQKDFXQR-FIXSFTCYSA-N 1 0 394.515 3.592 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000514249946 851449405 /nfs/dbraw/zinc/44/94/05/851449405.db2.gz MQGUDWOSCRNAIA-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000434667581 851457736 /nfs/dbraw/zinc/45/77/36/851457736.db2.gz WLDWMESIWAAAEP-MRXNPFEDSA-N 1 0 375.538 3.548 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000425129932 851458504 /nfs/dbraw/zinc/45/85/04/851458504.db2.gz MQSQXGHIOLINTM-KRWDZBQOSA-N 1 0 379.529 3.940 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425521669 851507421 /nfs/dbraw/zinc/50/74/21/851507421.db2.gz YUSBIYONPMIPJJ-NQIIRXRSSA-N 1 0 376.504 3.783 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3C(=O)OC)CC2)cc1Cl ZINC000430106129 851581571 /nfs/dbraw/zinc/58/15/71/851581571.db2.gz YIYDXBLYFVJTEB-XLIONFOSSA-N 1 0 393.911 3.695 20 30 GHEDRO N#Cc1cccc(OCCCOC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000763982326 862264116 /nfs/dbraw/zinc/26/41/16/862264116.db2.gz BSYPHYHCVZXMQH-UHFFFAOYSA-N 1 0 378.472 3.783 20 30 GHEDRO C=CC[C@H](C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000488647435 851673566 /nfs/dbraw/zinc/67/35/66/851673566.db2.gz SLQQYALLMGOHAT-DEOSSOPVSA-N 1 0 391.559 3.800 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000030508474 862283114 /nfs/dbraw/zinc/28/31/14/862283114.db2.gz AZNJWXMCHXUAJS-MRXNPFEDSA-N 1 0 397.906 3.877 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329753540 862293584 /nfs/dbraw/zinc/29/35/84/862293584.db2.gz KDTVFILFIWPAHS-IZSQZSJDSA-N 1 0 391.600 3.815 20 30 GHEDRO C[C@@H]1CCCN(c2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccn2)C1 ZINC000329757206 862296414 /nfs/dbraw/zinc/29/64/14/862296414.db2.gz ZFVBNGPXRLQJQJ-GOSISDBHSA-N 1 0 393.535 3.934 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000111770394 851926621 /nfs/dbraw/zinc/92/66/21/851926621.db2.gz VCDJUFWILKXQKO-UHFFFAOYSA-N 1 0 376.504 3.866 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000664679466 852055163 /nfs/dbraw/zinc/05/51/63/852055163.db2.gz ZXDYRBMYKLMGNR-LJQANCHMSA-N 1 0 397.563 3.715 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000112215815 852118897 /nfs/dbraw/zinc/11/88/97/852118897.db2.gz OSIJSKFMEGNBBN-UHFFFAOYSA-N 1 0 399.579 3.921 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329789840 862323607 /nfs/dbraw/zinc/32/36/07/862323607.db2.gz CJMLTKMGJQKUIB-OHFALNGGSA-N 1 0 377.554 3.871 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)cc(OC)c1O ZINC000608068189 852172382 /nfs/dbraw/zinc/17/23/82/852172382.db2.gz JMYQZHULOZRLAB-HNNXBMFYSA-N 1 0 393.886 3.863 20 30 GHEDRO CCc1c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnn1-c1ccccc1 ZINC000329802517 862330400 /nfs/dbraw/zinc/33/04/00/862330400.db2.gz KKZOYFSBFXCOEM-HTAPYJJXSA-N 1 0 393.535 3.929 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cc(F)ccc3F)CC2)cc1 ZINC000053026580 852243102 /nfs/dbraw/zinc/24/31/02/852243102.db2.gz PXUGLLZYEWVGPD-UHFFFAOYSA-N 1 0 383.442 3.504 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccccc2COc2ccccc2Cl)CC1 ZINC000150759644 852340944 /nfs/dbraw/zinc/34/09/44/852340944.db2.gz HHXSWANGLALGPF-UHFFFAOYSA-N 1 0 396.918 3.880 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)cc1 ZINC000506936163 852364607 /nfs/dbraw/zinc/36/46/07/852364607.db2.gz GCDQUSIKVYNZHK-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000438477822 852472476 /nfs/dbraw/zinc/47/24/76/852472476.db2.gz MVENPKIQVMXIPE-UHFFFAOYSA-N 1 0 387.281 3.591 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@@H]21 ZINC000516397935 852489681 /nfs/dbraw/zinc/48/96/81/852489681.db2.gz CBRHTPOTZMIHNC-BEFAXECRSA-N 1 0 381.863 3.780 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000120721079 852643587 /nfs/dbraw/zinc/64/35/87/852643587.db2.gz KNEFULXRKTYQEB-UHFFFAOYSA-N 1 0 391.515 3.972 20 30 GHEDRO C=CCn1c(Cc2ccccc2O)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000669025721 852709850 /nfs/dbraw/zinc/70/98/50/852709850.db2.gz LOYGDNLQJJNISE-UHFFFAOYSA-N 1 0 397.567 3.709 20 30 GHEDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000437094087 852726491 /nfs/dbraw/zinc/72/64/91/852726491.db2.gz HITHPCBODQGAQG-DZIBYMRMSA-N 1 0 395.503 3.881 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c(C)nc2ccccn21 ZINC000427125429 852762356 /nfs/dbraw/zinc/76/23/56/852762356.db2.gz CQKZIZJENBEQQT-UHFFFAOYSA-N 1 0 396.564 3.741 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)c1ccc(C(C)C)cc1 ZINC000669032519 852766063 /nfs/dbraw/zinc/76/60/63/852766063.db2.gz MYAYUZCREYDOKL-UXHICEINSA-N 1 0 381.524 3.891 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(Cc1ccccc1)CC(C)C ZINC000669033717 852785510 /nfs/dbraw/zinc/78/55/10/852785510.db2.gz WTNYVOCHKCVZDT-RTWAWAEBSA-N 1 0 395.551 3.662 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC000669033445 852787904 /nfs/dbraw/zinc/78/79/04/852787904.db2.gz PJZGUCKPAFQRFI-HKBOAZHASA-N 1 0 393.535 3.650 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1 ZINC000912878105 852844336 /nfs/dbraw/zinc/84/43/36/852844336.db2.gz IYJZRBRSZHPHRC-UHFFFAOYSA-N 1 0 375.472 3.969 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1 ZINC000912878924 852845231 /nfs/dbraw/zinc/84/52/31/852845231.db2.gz IFRLMHNYEOMYQW-UHFFFAOYSA-N 1 0 379.435 3.800 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3cccc(OC)c3)CCCC2)CC1 ZINC000518131724 852893181 /nfs/dbraw/zinc/89/31/81/852893181.db2.gz OQVFJRVVGIJQDA-UHFFFAOYSA-N 1 0 385.552 3.847 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cnn(-c3ccncc3)c2C(F)F)CC1 ZINC000329903364 862410057 /nfs/dbraw/zinc/41/00/57/862410057.db2.gz QDYHARLGGLMLDU-UHFFFAOYSA-N 1 0 377.439 3.772 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCOc4ccc(F)cc43)c2)CC1 ZINC000329905726 862412104 /nfs/dbraw/zinc/41/21/04/862412104.db2.gz AWUILVGELYOSNH-FQEVSTJZSA-N 1 0 398.482 3.627 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000506013807 852968061 /nfs/dbraw/zinc/96/80/61/852968061.db2.gz ZPUXHHZKFDLYNU-UHFFFAOYSA-N 1 0 385.870 3.674 20 30 GHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000669058263 853009376 /nfs/dbraw/zinc/00/93/76/853009376.db2.gz NPRFYIXKYZAYJM-SFTDATJTSA-N 1 0 397.567 3.553 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000490520730 853070045 /nfs/dbraw/zinc/07/00/45/853070045.db2.gz OQGKVURKCIJLAZ-UHFFFAOYSA-N 1 0 388.256 3.889 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)N2CCOCC2)o1 ZINC000507652447 853139221 /nfs/dbraw/zinc/13/92/21/853139221.db2.gz WKLRFYFOMIAVGS-XERBYJISSA-N 1 0 393.531 3.955 20 30 GHEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c(-c2cccnc2)n1 ZINC000111408793 853145586 /nfs/dbraw/zinc/14/55/86/853145586.db2.gz XAAKGDCZZSUHPV-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO O=C(COc1ccc2c(c1)CCC(=O)N2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329929592 862432959 /nfs/dbraw/zinc/43/29/59/862432959.db2.gz NQZNMRADXPOFHT-UHFFFAOYSA-N 1 0 385.508 3.704 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000438995348 853169449 /nfs/dbraw/zinc/16/94/49/853169449.db2.gz CYJDCBIILJBCIB-ZRBLBEILSA-N 1 0 397.563 3.956 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nn1-c1cccc(C#N)c1 ZINC000437880005 853176679 /nfs/dbraw/zinc/17/66/79/853176679.db2.gz WBCOKQZGZFCISJ-NRFANRHFSA-N 1 0 391.519 3.579 20 30 GHEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000490774214 853251813 /nfs/dbraw/zinc/25/18/13/853251813.db2.gz NTPJTSKUNQSEGT-FQEVSTJZSA-N 1 0 375.476 3.949 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1OC ZINC000151381799 853366443 /nfs/dbraw/zinc/36/64/43/853366443.db2.gz PJCRPGSXAYUGBR-CTYIDZIISA-N 1 0 384.314 3.663 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000437638315 853372055 /nfs/dbraw/zinc/37/20/55/853372055.db2.gz SNCKEWSOLPPIRV-XZYOPWHXSA-N 1 0 399.579 3.945 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CC1(Cl)Cl ZINC000732739003 862458743 /nfs/dbraw/zinc/45/87/43/862458743.db2.gz NOEZKIJDNCYOMN-CYBMUJFWSA-N 1 0 375.369 3.778 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CSc3ccccc3O2)c(-c2ccncc2)n1 ZINC000519717537 853421888 /nfs/dbraw/zinc/42/18/88/853421888.db2.gz UUPCYIGGJVKFQW-GOSISDBHSA-N 1 0 391.500 3.502 20 30 GHEDRO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(C#N)cc1OC(F)F)CC2 ZINC000437912302 853574000 /nfs/dbraw/zinc/57/40/00/853574000.db2.gz WGTUZCGFMZJMHZ-UHFFFAOYSA-N 1 0 388.414 3.778 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](CC(=O)OC)c2ccc(OC)cc2)c(O)c1 ZINC000732769281 862483309 /nfs/dbraw/zinc/48/33/09/862483309.db2.gz FTMJDQZGHRRXLO-KMUCBOENSA-N 1 0 384.476 3.970 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc([N+](=O)[O-])cc1)C(=S)NC(C)(C)C ZINC000055015203 853630298 /nfs/dbraw/zinc/63/02/98/853630298.db2.gz ZQLJDTXXIOCJTG-UHFFFAOYSA-O 1 0 386.497 3.772 20 30 GHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(C)c2)c1C ZINC000055014698 853630339 /nfs/dbraw/zinc/63/03/39/853630339.db2.gz FXYNPJJCPUHLJF-UHFFFAOYSA-O 1 0 386.541 3.757 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1C#N ZINC000425928122 853643118 /nfs/dbraw/zinc/64/31/18/853643118.db2.gz LCVRNWJXGAEAEA-IVZQSRNASA-N 1 0 386.540 3.513 20 30 GHEDRO FC(F)(F)c1ccc(C#CCN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000426388464 853661435 /nfs/dbraw/zinc/66/14/35/853661435.db2.gz GOHZHNJLRJDLAB-UHFFFAOYSA-N 1 0 378.463 3.979 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC([NH+]3CCCCC3)CC2)nc1-c1ccncc1 ZINC000044547907 853675056 /nfs/dbraw/zinc/67/50/56/853675056.db2.gz MHIZZHRAKWYGGN-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1(C)C ZINC000439516801 853721315 /nfs/dbraw/zinc/72/13/15/853721315.db2.gz QRTNUTLZAZSYFV-JCURWCKSSA-N 1 0 375.538 3.619 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)NCC1CCC(C#N)CC1)[NH+]1CCCCC1 ZINC000440988572 853808048 /nfs/dbraw/zinc/80/80/48/853808048.db2.gz MNWOHWDRKCHOBH-GRERDSQWSA-N 1 0 398.551 3.851 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520132257 853866672 /nfs/dbraw/zinc/86/66/72/853866672.db2.gz XZNJIFCCUBMFBD-QZTJIDSGSA-N 1 0 388.512 3.660 20 30 GHEDRO O=C(NC1CCC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1)C1CC1 ZINC000330015663 862508195 /nfs/dbraw/zinc/50/81/95/862508195.db2.gz OIHXLFUVFLCSGI-TZJYRCSTSA-N 1 0 391.556 3.636 20 30 GHEDRO C[C@H](COc1cccc(F)c1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330032607 862521121 /nfs/dbraw/zinc/52/11/21/862521121.db2.gz UZEGWWNESOPWSU-MRXNPFEDSA-N 1 0 377.504 3.894 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(O)c(OC)c1 ZINC000164466142 854017623 /nfs/dbraw/zinc/01/76/23/854017623.db2.gz YLCIDCOSPGBQKS-FQEVSTJZSA-N 1 0 375.509 3.679 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000520406370 854176020 /nfs/dbraw/zinc/17/60/20/854176020.db2.gz BMCQUUBQXIKKQV-SJLPKXTDSA-N 1 0 398.580 3.739 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC[C@H]21 ZINC000248013436 854183197 /nfs/dbraw/zinc/18/31/97/854183197.db2.gz LNOLQANMDRJWDL-FYYLOGMGSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](c2cccs2)C1)C(C)C ZINC000473944028 854387931 /nfs/dbraw/zinc/38/79/31/854387931.db2.gz ZNVGPHAWFUIHNO-ROUUACIJSA-N 1 0 377.554 3.530 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000572113866 854397665 /nfs/dbraw/zinc/39/76/65/854397665.db2.gz SDZFXONFXQUKPG-UHFFFAOYSA-N 1 0 397.567 3.527 20 30 GHEDRO C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cn2)C[C@H](C)O1 ZINC000330091824 862568147 /nfs/dbraw/zinc/56/81/47/862568147.db2.gz QGJJRMIOEDHPBP-FGTMMUONSA-N 1 0 386.540 3.938 20 30 GHEDRO O=C(NCC1CCC(F)(F)CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000328637791 854486354 /nfs/dbraw/zinc/48/63/54/854486354.db2.gz CWYCBURRKBGDLC-IBGZPJMESA-N 1 0 395.494 3.607 20 30 GHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000572476227 854516265 /nfs/dbraw/zinc/51/62/65/854516265.db2.gz MSOSLAPNDZWPBO-CQSZACIVSA-N 1 0 396.434 3.572 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328806573 854543404 /nfs/dbraw/zinc/54/34/04/854543404.db2.gz DHTJHYAEQGMINK-MRXNPFEDSA-N 1 0 393.915 3.941 20 30 GHEDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000328818085 854548592 /nfs/dbraw/zinc/54/85/92/854548592.db2.gz GYLHVRUVLKXINE-RTWAWAEBSA-N 1 0 383.536 3.819 20 30 GHEDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc(Br)c1OC ZINC000328795738 854560077 /nfs/dbraw/zinc/56/00/77/854560077.db2.gz CNGAKMAQMKTWOH-CYBMUJFWSA-N 1 0 397.313 3.788 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCc3c2cccc3O)CC1 ZINC000328903994 854589310 /nfs/dbraw/zinc/58/93/10/854589310.db2.gz IRGMLNMRPUHTNP-SFHVURJKSA-N 1 0 380.492 3.548 20 30 GHEDRO Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)c12 ZINC000328917618 854621163 /nfs/dbraw/zinc/62/11/63/854621163.db2.gz KVVSVDFBJYELGA-IEBWSBKVSA-N 1 0 376.460 3.811 20 30 GHEDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc(Br)c1OC ZINC000330467729 854673139 /nfs/dbraw/zinc/67/31/39/854673139.db2.gz JORBWNMURJIDPQ-ZDUSSCGKSA-N 1 0 399.329 3.891 20 30 GHEDRO O=C(C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)N1CCc2ccccc21 ZINC000157890832 862591372 /nfs/dbraw/zinc/59/13/72/862591372.db2.gz YSZPRFUWRDGNKW-UHFFFAOYSA-N 1 0 378.903 3.993 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CCCCC3)CC2)nc1-c1ccco1 ZINC000165238543 854789716 /nfs/dbraw/zinc/78/97/16/854789716.db2.gz GUOXNFITXZQMIZ-UHFFFAOYSA-N 1 0 387.553 3.768 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)ccc1C#N ZINC000589345515 854800784 /nfs/dbraw/zinc/80/07/84/854800784.db2.gz IHIANTZJUUQWOM-MRXNPFEDSA-N 1 0 391.471 3.511 20 30 GHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(C(F)F)c1Cl ZINC000331291331 854838706 /nfs/dbraw/zinc/83/87/06/854838706.db2.gz KOUFOBZEUBIWGZ-NSHDSACASA-N 1 0 375.847 3.600 20 30 GHEDRO N#CCc1cccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000589586343 855023082 /nfs/dbraw/zinc/02/30/82/855023082.db2.gz CNBFOBFLECYPBQ-UHFFFAOYSA-N 1 0 383.517 3.582 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C1CCC(C)(C)CC1 ZINC000669335078 855025228 /nfs/dbraw/zinc/02/52/28/855025228.db2.gz IRKWZQQOJUOVNC-MOPGFXCFSA-N 1 0 387.572 3.795 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000045611742 855035386 /nfs/dbraw/zinc/03/53/86/855035386.db2.gz XJZKZVFVSALYJY-QGZVFWFLSA-N 1 0 395.450 3.721 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000589612110 855061110 /nfs/dbraw/zinc/06/11/10/855061110.db2.gz BLYBFQTVVRLUBW-FQEVSTJZSA-N 1 0 389.927 3.512 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NC(C)(C)C)[n+]1ccc2c(c1)CCCC2 ZINC000186963709 862639897 /nfs/dbraw/zinc/63/98/97/862639897.db2.gz YPYAQVZNAWBRHG-UHFFFAOYSA-O 1 0 386.541 3.785 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2O)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000669342055 855139352 /nfs/dbraw/zinc/13/93/52/855139352.db2.gz JRCOXWSUMNCVLB-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO N#Cc1cccc(COc2cccc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2)c1 ZINC000054426002 855152275 /nfs/dbraw/zinc/15/22/75/855152275.db2.gz IUWAOFBACBLROM-NRFANRHFSA-N 1 0 394.438 3.984 20 30 GHEDRO CC[C@](C)(O)C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000189724898 855185538 /nfs/dbraw/zinc/18/55/38/855185538.db2.gz YUDIQTACFIRCJX-QFIPXVFZSA-N 1 0 397.544 3.904 20 30 GHEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@H+]1C ZINC000542673257 855186246 /nfs/dbraw/zinc/18/62/46/855186246.db2.gz DITJLZKPBYCLIX-CVEARBPZSA-N 1 0 396.466 3.833 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCOc2ccc(Cl)cc2)CC1 ZINC000106276123 855205010 /nfs/dbraw/zinc/20/50/10/855205010.db2.gz LSZIMMSZEYYGDO-UHFFFAOYSA-N 1 0 379.932 3.791 20 30 GHEDRO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330196039 862652486 /nfs/dbraw/zinc/65/24/86/862652486.db2.gz PPZUJPLHLDYVET-NBMJBFSESA-N 1 0 379.570 3.696 20 30 GHEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000330198604 862656003 /nfs/dbraw/zinc/65/60/03/862656003.db2.gz UICXKQDMWFHTPL-HIFRSBDPSA-N 1 0 388.418 3.866 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000282287256 855269519 /nfs/dbraw/zinc/26/95/19/855269519.db2.gz QLIHUUMSJONJNL-UHFFFAOYSA-N 1 0 382.552 3.870 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248400525 855277550 /nfs/dbraw/zinc/27/75/50/855277550.db2.gz LBVMPZSJMMLNGZ-LZNRXBQRSA-N 1 0 383.536 3.731 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2c(C#N)cnc3c(F)ccc(F)c32)CC1 ZINC000591822199 855303413 /nfs/dbraw/zinc/30/34/13/855303413.db2.gz BHMYKGFVGOLJAZ-AWEZNQCLSA-N 1 0 393.441 3.839 20 30 GHEDRO Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000330214698 862666121 /nfs/dbraw/zinc/66/61/21/862666121.db2.gz LWRMZICBMVTTRI-CEMLEFRQSA-N 1 0 395.551 3.653 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)CN(Cc2ccco2)Cc2cccs2)cc1 ZINC000025867141 855366003 /nfs/dbraw/zinc/36/60/03/855366003.db2.gz STZMINFRPHCZRG-GOSISDBHSA-N 1 0 382.485 3.849 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000536417598 855398650 /nfs/dbraw/zinc/39/86/50/855398650.db2.gz SOOYJHFURWEYOV-OAHLLOKOSA-N 1 0 385.895 3.969 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)[C@@H]2C1 ZINC000590442302 855422651 /nfs/dbraw/zinc/42/26/51/855422651.db2.gz FGCIGFOHFIDDFF-FUHWJXTLSA-N 1 0 381.863 3.780 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000509199932 862677670 /nfs/dbraw/zinc/67/76/70/862677670.db2.gz ZIHIEGXYCPMZSP-CQSZACIVSA-N 1 0 392.341 3.728 20 30 GHEDRO Cc1oc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(C#N)c1C ZINC000590614978 855509460 /nfs/dbraw/zinc/50/94/60/855509460.db2.gz VQXKDHLKWCIZQI-UHFFFAOYSA-N 1 0 395.459 3.880 20 30 GHEDRO CC1(C)C[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)c2ccc(F)cc2O1 ZINC000330243780 862689788 /nfs/dbraw/zinc/68/97/88/862689788.db2.gz JWPIAKXIHUUOJN-GOSISDBHSA-N 1 0 375.488 3.806 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441445 855546324 /nfs/dbraw/zinc/54/63/24/855546324.db2.gz WRZUXVGJIQMPMV-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO Cc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000590745899 855561509 /nfs/dbraw/zinc/56/15/09/855561509.db2.gz NHAAAOZKQHQJMY-QHCPKHFHSA-N 1 0 380.536 3.938 20 30 GHEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330259343 862701023 /nfs/dbraw/zinc/70/10/23/862701023.db2.gz NHPXMRVHGVHUIC-DNVCBOLYSA-N 1 0 389.540 3.701 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000301135595 855624894 /nfs/dbraw/zinc/62/48/94/855624894.db2.gz ZYCICFODGKBPSI-UHFFFAOYSA-N 1 0 393.878 3.974 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1)C(C)C ZINC000056694492 855629932 /nfs/dbraw/zinc/62/99/32/855629932.db2.gz HAFFVKFJWLGIKJ-GOSISDBHSA-N 1 0 392.931 3.520 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000067400919 855636636 /nfs/dbraw/zinc/63/66/36/855636636.db2.gz RCOGUKYOPCOYHN-QFIPXVFZSA-N 1 0 397.906 3.986 20 30 GHEDRO CC[C@@H]1CCC[C@H]([NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000262356387 862704488 /nfs/dbraw/zinc/70/44/88/862704488.db2.gz GAVLTXNKPQMZMM-LJDSDSDDSA-N 1 0 397.629 3.504 20 30 GHEDRO CN(C(=O)c1cccc(NC(=O)NC2CC2)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000330263665 862704550 /nfs/dbraw/zinc/70/45/50/862704550.db2.gz WVICSAPKMVDTKA-UHFFFAOYSA-N 1 0 386.540 3.902 20 30 GHEDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C#N)cc1C(F)(F)F ZINC000301389764 855683987 /nfs/dbraw/zinc/68/39/87/855683987.db2.gz YMNZWDRIINWVSS-HNNXBMFYSA-N 1 0 389.425 3.595 20 30 GHEDRO CCc1nnc(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c(C#N)c1CC ZINC000301609385 855723158 /nfs/dbraw/zinc/72/31/58/855723158.db2.gz BAKGEXKOEIGXPZ-UHFFFAOYSA-N 1 0 396.514 3.886 20 30 GHEDRO CSc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000056944438 855727342 /nfs/dbraw/zinc/72/73/42/855727342.db2.gz OIGCLKLLOIXWJR-UHFFFAOYSA-N 1 0 382.533 3.554 20 30 GHEDRO CSc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056944148 855727414 /nfs/dbraw/zinc/72/74/14/855727414.db2.gz QSCOLBWKXRRZSY-UHFFFAOYSA-N 1 0 394.544 3.698 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000301978462 855792603 /nfs/dbraw/zinc/79/26/03/855792603.db2.gz GRQXOUKKQWBHSZ-GASCZTMLSA-N 1 0 392.341 3.646 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000302154064 855824999 /nfs/dbraw/zinc/82/49/99/855824999.db2.gz VHLJXXVYWFCBKK-UHFFFAOYSA-N 1 0 388.515 3.905 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000573089307 855860008 /nfs/dbraw/zinc/86/00/08/855860008.db2.gz BVUNMVJLSYPQQS-QGZVFWFLSA-N 1 0 393.457 3.670 20 30 GHEDRO COc1ccc([C@@H](CNc2ccc3cc(C#N)ccc3n2)[NH+](C)C)cc1OC ZINC000302572579 855881363 /nfs/dbraw/zinc/88/13/63/855881363.db2.gz RAKPFGQDJSSEDW-LJQANCHMSA-N 1 0 376.460 3.838 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC000591306535 855900739 /nfs/dbraw/zinc/90/07/39/855900739.db2.gz CRTSOKXLLHEOSS-CABCVRRESA-N 1 0 391.313 3.564 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000591308955 855902778 /nfs/dbraw/zinc/90/27/78/855902778.db2.gz FQRJIBBNXFFZFX-IAGOWNOFSA-N 1 0 378.501 3.783 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000108512026 855920105 /nfs/dbraw/zinc/92/01/05/855920105.db2.gz MNNDETMMOZZIDB-KRWDZBQOSA-N 1 0 394.475 3.822 20 30 GHEDRO Cc1nc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)ccc1C#N ZINC000108570864 855943576 /nfs/dbraw/zinc/94/35/76/855943576.db2.gz CHEFJFPCDPUHND-UHFFFAOYSA-N 1 0 376.504 3.956 20 30 GHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000520661953 855945745 /nfs/dbraw/zinc/94/57/45/855945745.db2.gz LQLJHDXJLBAISF-QIJZPMMNSA-N 1 0 395.551 3.628 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000591356164 855950100 /nfs/dbraw/zinc/95/01/00/855950100.db2.gz DCNFNTWWWTTYKX-FCHUYYIVSA-N 1 0 388.515 3.756 20 30 GHEDRO Cn1cc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000273690881 855960008 /nfs/dbraw/zinc/96/00/08/855960008.db2.gz HSBYZFLKAYMSOG-UHFFFAOYSA-N 1 0 386.499 3.879 20 30 GHEDRO CCN(C(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000591415379 855967385 /nfs/dbraw/zinc/96/73/85/855967385.db2.gz XNKPCUTYMDATCH-HXUWFJFHSA-N 1 0 396.579 3.636 20 30 GHEDRO Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000026597647 855993646 /nfs/dbraw/zinc/99/36/46/855993646.db2.gz DBYILIRUGCMOBU-GOSISDBHSA-N 1 0 387.487 3.796 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152198 862746042 /nfs/dbraw/zinc/74/60/42/862746042.db2.gz QMNFEORVGZKEMW-UTKZUKDTSA-N 1 0 396.535 3.841 20 30 GHEDRO C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000171310702 856084375 /nfs/dbraw/zinc/08/43/75/856084375.db2.gz YTVFWCJWSYNXAA-SFHVURJKSA-N 1 0 388.515 3.679 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C2CC2)cc1 ZINC000171310843 856084557 /nfs/dbraw/zinc/08/45/57/856084557.db2.gz WWEIFBYNHCCDDY-UHFFFAOYSA-N 1 0 398.576 3.594 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(F)cc1 ZINC000171315345 856087571 /nfs/dbraw/zinc/08/75/71/856087571.db2.gz QOYIESQTMZGHDJ-NRFANRHFSA-N 1 0 380.467 3.674 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2scnc2c1 ZINC000171376367 856109745 /nfs/dbraw/zinc/10/97/45/856109745.db2.gz MGDBCJAIINIIFV-UHFFFAOYSA-N 1 0 379.489 3.764 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4scnc4c3)CC2)cc1 ZINC000171372511 856109776 /nfs/dbraw/zinc/10/97/76/856109776.db2.gz OJKSPLJGSOQZGA-UHFFFAOYSA-N 1 0 391.500 3.908 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CC=CCC1 ZINC000485144035 856139912 /nfs/dbraw/zinc/13/99/12/856139912.db2.gz SDOGZRHUEYYHFU-MRXNPFEDSA-N 1 0 387.549 3.742 20 30 GHEDRO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000591763942 856231448 /nfs/dbraw/zinc/23/14/48/856231448.db2.gz RYAPLKYZJNLKFY-VURZDNKASA-N 1 0 378.472 3.617 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)c1ccco1 ZINC000109302402 856273051 /nfs/dbraw/zinc/27/30/51/856273051.db2.gz RWQAAURGCLPLOP-WIYYLYMNSA-N 1 0 383.492 3.754 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000591771140 856291498 /nfs/dbraw/zinc/29/14/98/856291498.db2.gz OPUMNBMHLWLACK-PKOBYXMFSA-N 1 0 388.920 3.911 20 30 GHEDRO COc1ccc(OC)c(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000172116171 856343870 /nfs/dbraw/zinc/34/38/70/856343870.db2.gz KYJITZOFTDCSIH-UHFFFAOYSA-N 1 0 390.487 3.813 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000109661980 856351717 /nfs/dbraw/zinc/35/17/17/856351717.db2.gz CILOWJIQVVTNIZ-NFBKMPQASA-N 1 0 397.563 3.932 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccnc1Cl ZINC000733191261 862791971 /nfs/dbraw/zinc/79/19/71/862791971.db2.gz FPQIZJNANWQIGO-UHFFFAOYSA-N 1 0 377.945 3.833 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)CC1 ZINC000172646109 856420278 /nfs/dbraw/zinc/42/02/78/856420278.db2.gz KELNNUVVIFYDET-UHFFFAOYSA-N 1 0 387.524 3.572 20 30 GHEDRO CCOC(=O)c1sc(NC(=O)c2ccc(C[NH+](CC)CC)o2)c(C#N)c1C ZINC000591954370 856430799 /nfs/dbraw/zinc/43/07/99/856430799.db2.gz PQFMZPGBTKLMBE-UHFFFAOYSA-N 1 0 389.477 3.792 20 30 GHEDRO CC[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000073680082 856436398 /nfs/dbraw/zinc/43/63/98/856436398.db2.gz JXMMSBXLNPYZHR-JOCHJYFZSA-N 1 0 376.504 3.537 20 30 GHEDRO N#CCCN(C(=O)CN1CCC[N@@H+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000172435070 856437707 /nfs/dbraw/zinc/43/77/07/856437707.db2.gz LLLWOTZZFLEQJV-UHFFFAOYSA-N 1 0 388.943 3.537 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000046105319 856487877 /nfs/dbraw/zinc/48/78/77/856487877.db2.gz WSWXBKWBGBYQAE-GOSISDBHSA-N 1 0 394.519 3.839 20 30 GHEDRO C=CCSc1ccccc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000485453875 856548766 /nfs/dbraw/zinc/54/87/66/856548766.db2.gz HWDTZXYQNKTMSH-UHFFFAOYSA-N 1 0 381.545 3.964 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000465860580 856663478 /nfs/dbraw/zinc/66/34/78/856663478.db2.gz NYYXXIXQLDRNQB-HNNXBMFYSA-N 1 0 384.307 3.767 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC3(C[C@@H]2C)CCOCC3)ccc1Cl ZINC000592181070 856682027 /nfs/dbraw/zinc/68/20/27/856682027.db2.gz BIIISTNXOAAGBH-KRWDZBQOSA-N 1 0 389.927 3.786 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000592296503 856768351 /nfs/dbraw/zinc/76/83/51/856768351.db2.gz NPJAAJBMJJDLRT-QGZVFWFLSA-N 1 0 390.959 3.506 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000592297455 856770516 /nfs/dbraw/zinc/77/05/16/856770516.db2.gz QDVSNSGFTWTNAP-WMZOPIPTSA-N 1 0 381.442 3.901 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)cc1OCCCC#N ZINC000592372574 856786819 /nfs/dbraw/zinc/78/68/19/856786819.db2.gz MYWZZEGFVNILMD-UHFFFAOYSA-N 1 0 390.386 3.989 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000592380135 856825712 /nfs/dbraw/zinc/82/57/12/856825712.db2.gz RUEXUPVPDLGZHU-PKOBYXMFSA-N 1 0 380.492 3.559 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307314 856883450 /nfs/dbraw/zinc/88/34/50/856883450.db2.gz KWBKOHOCIBCOGT-UHFFFAOYSA-N 1 0 394.544 3.723 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1C ZINC000173447499 856934499 /nfs/dbraw/zinc/93/44/99/856934499.db2.gz OIYCEYPEFSKGCZ-UHFFFAOYSA-N 1 0 396.560 3.691 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NCCCCC[NH+]3CCCC3)cc2)nc1 ZINC000508115627 856943290 /nfs/dbraw/zinc/94/32/90/856943290.db2.gz CLAYDBOSHYXVGT-UHFFFAOYSA-N 1 0 378.476 3.741 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000281125901 862857434 /nfs/dbraw/zinc/85/74/34/862857434.db2.gz XZBBUMNMMQEXLY-QRQLOZEOSA-N 1 0 375.900 3.556 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000111897156 857036798 /nfs/dbraw/zinc/03/67/98/857036798.db2.gz CNMYIYJMNMJWPS-UHFFFAOYSA-N 1 0 398.551 3.764 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000058562558 857054234 /nfs/dbraw/zinc/05/42/34/857054234.db2.gz PKRCWSQQFBGZRQ-UHFFFAOYSA-N 1 0 391.924 3.530 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000733326106 862866105 /nfs/dbraw/zinc/86/61/05/862866105.db2.gz JJXDSKWCTKEOQX-IBGZPJMESA-N 1 0 379.378 3.811 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000733327744 862869925 /nfs/dbraw/zinc/86/99/25/862869925.db2.gz AIKPEGXTHUIZPL-JOCHJYFZSA-N 1 0 384.907 3.515 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001128975185 857135045 /nfs/dbraw/zinc/13/50/45/857135045.db2.gz UUGBOMFAMDJYQF-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C[NH+](C)CCOc1cc(CNc2nc3c(cc2C#N)CCCC3(C)C)ccn1 ZINC000428144433 857136459 /nfs/dbraw/zinc/13/64/59/857136459.db2.gz HNEOGXKNUQBAMJ-UHFFFAOYSA-N 1 0 379.508 3.515 20 30 GHEDRO Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)cc(Cl)c1Br ZINC000520847540 857287776 /nfs/dbraw/zinc/28/77/76/857287776.db2.gz GVPFSHSCWCQIGV-UHFFFAOYSA-N 1 0 386.721 3.719 20 30 GHEDRO CCc1ccccc1NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643692 857416851 /nfs/dbraw/zinc/41/68/51/857416851.db2.gz WQAMEWGEKXYWBV-IBGZPJMESA-N 1 0 390.531 3.656 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1cccs1 ZINC000442044340 857472231 /nfs/dbraw/zinc/47/22/31/857472231.db2.gz KRZDPIFLZYHYDO-CYBMUJFWSA-N 1 0 398.410 3.943 20 30 GHEDRO C[NH+]=C(NCc1ccc(COC2CCOCC2)cc1)N1CCc2ccccc21 ZINC000157813742 857498013 /nfs/dbraw/zinc/49/80/13/857498013.db2.gz QHTZWZSMUFCLGZ-UHFFFAOYSA-N 1 0 379.504 3.520 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000574248810 857500108 /nfs/dbraw/zinc/50/01/08/857500108.db2.gz FRRAIPHGIVVAKN-XLIONFOSSA-N 1 0 378.524 3.559 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000521078506 857588530 /nfs/dbraw/zinc/58/85/30/857588530.db2.gz KWCBJFVDYBREDH-OKZBNKHCSA-N 1 0 388.512 3.659 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000593580529 857631295 /nfs/dbraw/zinc/63/12/95/857631295.db2.gz GNFRXMHPSAACBA-UWJYYQICSA-N 1 0 399.560 3.766 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O ZINC000499601983 857688846 /nfs/dbraw/zinc/68/88/46/857688846.db2.gz HTBMOMTXURGVQM-QRWLVFNGSA-N 1 0 381.451 3.516 20 30 GHEDRO N#Cc1ccnc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1Cl ZINC000553096522 857713052 /nfs/dbraw/zinc/71/30/52/857713052.db2.gz RYKMPXKABWCELF-HNNXBMFYSA-N 1 0 380.801 3.734 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000922089946 857795049 /nfs/dbraw/zinc/79/50/49/857795049.db2.gz LIPYKENRNSRPJP-QRVBRYPASA-N 1 0 394.556 3.506 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(OC)c1 ZINC000594032368 857846880 /nfs/dbraw/zinc/84/68/80/857846880.db2.gz FIIPOHHTFSYXSL-OAQYLSRUSA-N 1 0 392.499 3.704 20 30 GHEDRO C#Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001129225548 857933341 /nfs/dbraw/zinc/93/33/41/857933341.db2.gz YVDUETCLTHUIAY-NRFANRHFSA-N 1 0 386.417 3.739 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000521428023 857988380 /nfs/dbraw/zinc/98/83/80/857988380.db2.gz NAFKDYVMLYGIPK-UHFFFAOYSA-N 1 0 390.409 3.563 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000066175159 857989814 /nfs/dbraw/zinc/98/98/14/857989814.db2.gz SGDWKYPVYFJJNB-OAQYLSRUSA-N 1 0 382.483 3.920 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000066185659 857992000 /nfs/dbraw/zinc/99/20/00/857992000.db2.gz MGWZLIJGTSKWNB-IBGZPJMESA-N 1 0 390.531 3.925 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000486722346 858022929 /nfs/dbraw/zinc/02/29/29/858022929.db2.gz GRHCPBAFAZKXAT-UHFFFAOYSA-N 1 0 391.540 3.700 20 30 GHEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000439020951 858058717 /nfs/dbraw/zinc/05/87/17/858058717.db2.gz LBPVGGSCQZAWEO-LJQANCHMSA-N 1 0 396.491 3.565 20 30 GHEDRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440154 858178366 /nfs/dbraw/zinc/17/83/66/858178366.db2.gz VDFHPBHRLVMQSM-HOTGVXAUSA-N 1 0 394.313 3.532 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000594449161 858179905 /nfs/dbraw/zinc/17/99/05/858179905.db2.gz VXSDBFDUCNNSNC-INIZCTEOSA-N 1 0 383.414 3.534 20 30 GHEDRO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000594428000 858185531 /nfs/dbraw/zinc/18/55/31/858185531.db2.gz KIJLEKOEBGHGLJ-OXQOHEQNSA-N 1 0 393.491 3.919 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000594502467 858194494 /nfs/dbraw/zinc/19/44/94/858194494.db2.gz IKWCALLQEHYXLM-JOCHJYFZSA-N 1 0 375.516 3.811 20 30 GHEDRO CC(C)(C#N)c1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000594505706 858196257 /nfs/dbraw/zinc/19/62/57/858196257.db2.gz WMECHCNJNAZYRS-HXUWFJFHSA-N 1 0 390.531 3.797 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)N2CCOCC2)cc1 ZINC000594924152 858305897 /nfs/dbraw/zinc/30/58/97/858305897.db2.gz HRCRIKRZMZGWKA-HSZRJFAPSA-N 1 0 375.516 3.713 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1Cl ZINC000521829230 858346780 /nfs/dbraw/zinc/34/67/80/858346780.db2.gz VIZYYOOKQRVHBQ-INIZCTEOSA-N 1 0 386.879 3.809 20 30 GHEDRO N#Cc1ccc(CNC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000521820978 858355929 /nfs/dbraw/zinc/35/59/29/858355929.db2.gz LSLBBGNWZXITST-OAQYLSRUSA-N 1 0 393.537 3.945 20 30 GHEDRO CC(C)n1ncc2cc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)cnc21 ZINC000594985046 858357792 /nfs/dbraw/zinc/35/77/92/858357792.db2.gz TYNJONLTASLZLZ-UHFFFAOYSA-N 1 0 375.476 3.679 20 30 GHEDRO CCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OCC ZINC000067010974 858394934 /nfs/dbraw/zinc/39/49/34/858394934.db2.gz UWEMBZHRSPIWHD-UHFFFAOYSA-N 1 0 380.492 3.509 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000521873614 858397422 /nfs/dbraw/zinc/39/74/22/858397422.db2.gz FLOWSWMSBWCCCH-QGZVFWFLSA-N 1 0 386.569 3.598 20 30 GHEDRO Cc1nc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)ccc1C#N ZINC000521888223 858421186 /nfs/dbraw/zinc/42/11/86/858421186.db2.gz IWOLACRDMOXGFO-UHFFFAOYSA-N 1 0 390.531 3.726 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCc3ccc(C#N)cc3)CC2)cc1F ZINC000595290571 858452481 /nfs/dbraw/zinc/45/24/81/858452481.db2.gz MBSRDXQMDKGETA-UHFFFAOYSA-N 1 0 379.479 3.577 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000521969615 858495132 /nfs/dbraw/zinc/49/51/32/858495132.db2.gz XQFMUNCHNFRGGD-GOSISDBHSA-N 1 0 378.476 3.596 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000067264929 858501142 /nfs/dbraw/zinc/50/11/42/858501142.db2.gz ASIHKWIMAJBWMT-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000575012762 858513694 /nfs/dbraw/zinc/51/36/94/858513694.db2.gz YVVLHASYMHJTHS-UHFFFAOYSA-N 1 0 398.551 3.780 20 30 GHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521992627 858515786 /nfs/dbraw/zinc/51/57/86/858515786.db2.gz HKAJMBYFKHRZOD-CALCHBBNSA-N 1 0 378.476 3.738 20 30 GHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1 ZINC000184894613 858522238 /nfs/dbraw/zinc/52/22/38/858522238.db2.gz LUZTZAJIHIMNDU-UHFFFAOYSA-N 1 0 389.908 3.503 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115442903 858532447 /nfs/dbraw/zinc/53/24/47/858532447.db2.gz QJQHOZQKNLIGKW-FQEVSTJZSA-N 1 0 377.488 3.551 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000595484713 858532848 /nfs/dbraw/zinc/53/28/48/858532848.db2.gz NDVZYSVDOVNJKB-QHCPKHFHSA-N 1 0 375.516 3.704 20 30 GHEDRO C=CC[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000522083767 858607370 /nfs/dbraw/zinc/60/73/70/858607370.db2.gz QMIQKBZSUFTMGG-INIZCTEOSA-N 1 0 386.459 3.665 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCC(Oc3ncccc3C#N)CC1)O[C@@H](C)C2 ZINC000527327236 858624650 /nfs/dbraw/zinc/62/46/50/858624650.db2.gz RRYICQBZIQSSEW-VMEOHVCESA-N 1 0 393.487 3.765 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670608 858643493 /nfs/dbraw/zinc/64/34/93/858643493.db2.gz FZFWOTBJODUDGU-LJQANCHMSA-N 1 0 389.908 3.593 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595718688 858658236 /nfs/dbraw/zinc/65/82/36/858658236.db2.gz UZGFVAUREHBWSH-QGZVFWFLSA-N 1 0 391.556 3.551 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595718685 858658284 /nfs/dbraw/zinc/65/82/84/858658284.db2.gz UZGFVAUREHBWSH-KRWDZBQOSA-N 1 0 391.556 3.551 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595786932 858687943 /nfs/dbraw/zinc/68/79/43/858687943.db2.gz CPPYZQQTUBLCJY-ZJOUEHCJSA-N 1 0 399.535 3.611 20 30 GHEDRO N#CC(CC[N@H+]1CC[C@H](CN2CCCC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000595827229 858700381 /nfs/dbraw/zinc/70/03/81/858700381.db2.gz AVLKEICVUWTFGU-NRFANRHFSA-N 1 0 387.527 3.831 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595829494 858701249 /nfs/dbraw/zinc/70/12/49/858701249.db2.gz IFOBLRUHSNPILW-RBBKRZOGSA-N 1 0 380.536 3.624 20 30 GHEDRO C=CCOc1ccccc1CN(CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000160214493 858711679 /nfs/dbraw/zinc/71/16/79/858711679.db2.gz QKRVHVHQMPYCDU-UHFFFAOYSA-N 1 0 381.476 3.670 20 30 GHEDRO N#CCCCOc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000522176976 858723164 /nfs/dbraw/zinc/72/31/64/858723164.db2.gz JZOXPLCQFWCQOU-IBGZPJMESA-N 1 0 378.476 3.615 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1nc(C(F)(F)F)cs1)C(C)C ZINC000514542901 858737284 /nfs/dbraw/zinc/73/72/84/858737284.db2.gz UBPPCUXIGQWFCC-GFCCVEGCSA-N 1 0 376.448 3.982 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000596063315 858768101 /nfs/dbraw/zinc/76/81/01/858768101.db2.gz LJJBNXPEBJYHLV-FQEVSTJZSA-N 1 0 394.519 3.806 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000593145526 858780010 /nfs/dbraw/zinc/78/00/10/858780010.db2.gz CXNQABYXNLGSCX-UHFFFAOYSA-N 1 0 379.464 3.695 20 30 GHEDRO CC[C@@H](CNC(=O)CSc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000482708521 858782911 /nfs/dbraw/zinc/78/29/11/858782911.db2.gz VAFNNCVPMONQAL-FQEVSTJZSA-N 1 0 379.529 3.603 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000183682190 858795792 /nfs/dbraw/zinc/79/57/92/858795792.db2.gz UKZCYMYIMVBDQN-SFHVURJKSA-N 1 0 387.487 3.778 20 30 GHEDRO CCc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000596277199 858834802 /nfs/dbraw/zinc/83/48/02/858834802.db2.gz BTYKOCROSBFQHV-UHFFFAOYSA-N 1 0 391.515 3.589 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3Cl)CC2)c1 ZINC000593171763 858873452 /nfs/dbraw/zinc/87/34/52/858873452.db2.gz TUKKMRWJCCENQC-UHFFFAOYSA-N 1 0 393.878 3.869 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc2n[nH]cc21 ZINC000593175434 858876859 /nfs/dbraw/zinc/87/68/59/858876859.db2.gz OYSPRJJGSGLKGR-UHFFFAOYSA-N 1 0 388.475 3.529 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429279737 858911956 /nfs/dbraw/zinc/91/19/56/858911956.db2.gz VSMKCTPOQDFNOW-ACJLOTCBSA-N 1 0 392.341 3.670 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000184345269 858915986 /nfs/dbraw/zinc/91/59/86/858915986.db2.gz QTOIAANIPSZPMJ-RNODOKPDSA-N 1 0 388.512 3.963 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429287119 858936416 /nfs/dbraw/zinc/93/64/16/858936416.db2.gz UIYIZHAGGLHDKL-MJGOQNOKSA-N 1 0 392.341 3.717 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000596579789 858945212 /nfs/dbraw/zinc/94/52/12/858945212.db2.gz DKOSGOLYLDWHGU-JTHBVZDNSA-N 1 0 388.515 3.504 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000596671951 858985019 /nfs/dbraw/zinc/98/50/19/858985019.db2.gz HUXZBTCQTSISQG-AUSIDOKSSA-N 1 0 390.531 3.795 20 30 GHEDRO C#CCN(C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C)C1CC[NH+](C)CC1 ZINC000922215581 858986275 /nfs/dbraw/zinc/98/62/75/858986275.db2.gz HEAYAIOVWKPAHY-SFHVURJKSA-N 1 0 381.442 3.728 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[NH+](C)C ZINC000596694163 859009639 /nfs/dbraw/zinc/00/96/39/859009639.db2.gz FZHNIOIRVWVOMG-KRWDZBQOSA-N 1 0 380.492 3.793 20 30 GHEDRO [NH2+]=C(NCc1ccc2c(c1)OCCCO2)Nc1ccccc1OC(F)(F)F ZINC000160697875 859122452 /nfs/dbraw/zinc/12/24/52/859122452.db2.gz QXUUENGEFMHHOF-UHFFFAOYSA-N 1 0 381.354 3.673 20 30 GHEDRO C=CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccs1 ZINC000193600649 859178035 /nfs/dbraw/zinc/17/80/35/859178035.db2.gz GWJZPYFOCLWMJK-UHFFFAOYSA-N 1 0 383.561 3.648 20 30 GHEDRO C=CCCCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000568190085 859186142 /nfs/dbraw/zinc/18/61/42/859186142.db2.gz ZTJBHJPKNFOIFH-JOCHJYFZSA-N 1 0 399.579 3.961 20 30 GHEDRO C=CCCCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000568190086 859186284 /nfs/dbraw/zinc/18/62/84/859186284.db2.gz ZTJBHJPKNFOIFH-QFIPXVFZSA-N 1 0 399.579 3.961 20 30 GHEDRO C=CCC1([NH2+]Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CCCCC1 ZINC000625935786 859194330 /nfs/dbraw/zinc/19/43/30/859194330.db2.gz NCJMAHXUNCJSTF-UHFFFAOYSA-N 1 0 388.512 3.976 20 30 GHEDRO Cn1cc(CN2CCC[C@@H]2c2ccccc2I)cc1C#N ZINC000483262854 859256840 /nfs/dbraw/zinc/25/68/40/859256840.db2.gz AUKAGJPJKYLTHI-QGZVFWFLSA-N 1 0 391.256 3.838 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000550570725 859300965 /nfs/dbraw/zinc/30/09/65/859300965.db2.gz CCFUVESPNROQFN-CYBMUJFWSA-N 1 0 382.430 3.602 20 30 GHEDRO COCCN(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000069072239 859328942 /nfs/dbraw/zinc/32/89/42/859328942.db2.gz KIJUMSWAJPKWGE-IBGZPJMESA-N 1 0 379.504 3.501 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000185109797 859339939 /nfs/dbraw/zinc/33/99/39/859339939.db2.gz XSOQEOHDPOLCCF-OAQYLSRUSA-N 1 0 380.879 3.609 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000429430328 859355419 /nfs/dbraw/zinc/35/54/19/859355419.db2.gz LAFUZVHRUZWWLT-XJKSGUPXSA-N 1 0 391.284 3.962 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CC(=O)Nc2c(C)nn(C)c2C)C(C)(C)C)cc1 ZINC000474158077 859376973 /nfs/dbraw/zinc/37/69/73/859376973.db2.gz MQBUKSYFJXLXOA-UHFFFAOYSA-N 1 0 384.524 3.841 20 30 GHEDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593314687 859380150 /nfs/dbraw/zinc/38/01/50/859380150.db2.gz FKVZPUHVTKKSIG-SFHVURJKSA-N 1 0 376.504 3.892 20 30 GHEDRO N#Cc1cccc(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)c1 ZINC000466412633 859397430 /nfs/dbraw/zinc/39/74/30/859397430.db2.gz UMEUZXGSVYKGQY-UHFFFAOYSA-N 1 0 381.277 3.839 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001127760354 859429560 /nfs/dbraw/zinc/42/95/60/859429560.db2.gz YMFJLWSDEGZYID-FGZHOGPDSA-N 1 0 377.488 3.819 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1F ZINC000597336366 859445469 /nfs/dbraw/zinc/44/54/69/859445469.db2.gz ZVXWTZPOLUFWIP-HSZRJFAPSA-N 1 0 395.453 3.965 20 30 GHEDRO CCCCn1ncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1CC ZINC000593350770 859525467 /nfs/dbraw/zinc/52/54/67/859525467.db2.gz GRMYPKRTZQSINU-UHFFFAOYSA-N 1 0 393.535 3.512 20 30 GHEDRO Cc1cccc([C@H](C)CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593352226 859533855 /nfs/dbraw/zinc/53/38/55/859533855.db2.gz DVYVJAXLBCYFMG-LJQANCHMSA-N 1 0 390.531 3.934 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000601874556 859597961 /nfs/dbraw/zinc/59/79/61/859597961.db2.gz MGYOTUHYYBZXIJ-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000429583008 859636807 /nfs/dbraw/zinc/63/68/07/859636807.db2.gz ICXMWBNHWXVVLO-PGRDOPGGSA-N 1 0 391.515 3.742 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC3(CCOC3)CC2)sc2c1CCCCC2 ZINC000611178571 859637016 /nfs/dbraw/zinc/63/70/16/859637016.db2.gz XXNAHBMLIKGJDH-UHFFFAOYSA-N 1 0 387.549 3.720 20 30 GHEDRO COc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1OCCCC#N ZINC000611273878 859677092 /nfs/dbraw/zinc/67/70/92/859677092.db2.gz YXQYOLLIYHLCEP-UHFFFAOYSA-N 1 0 376.460 3.853 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CCCc4sccc43)CC2)c1 ZINC000593392068 859706808 /nfs/dbraw/zinc/70/68/08/859706808.db2.gz FCHUXMOAHVWNLZ-HXUWFJFHSA-N 1 0 394.544 3.961 20 30 GHEDRO C[C@H](CCCC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593395746 859712234 /nfs/dbraw/zinc/71/22/34/859712234.db2.gz GREFDGRRXNJSQK-OAHLLOKOSA-N 1 0 396.457 3.943 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483948150 859724468 /nfs/dbraw/zinc/72/44/68/859724468.db2.gz BASOXLKZSPSLHK-INIZCTEOSA-N 1 0 385.405 3.710 20 30 GHEDRO C[C@H](CC#N)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000597685230 859727485 /nfs/dbraw/zinc/72/74/85/859727485.db2.gz PWAKOSCZFZTRPP-KNQAVFIVSA-N 1 0 376.504 3.625 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1cccc(C#N)c1 ZINC000611388210 859733219 /nfs/dbraw/zinc/73/32/19/859733219.db2.gz YRYRYTZOSUOUAT-MRXNPFEDSA-N 1 0 388.471 3.507 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@@H](C[N@@H+](C)CCC)C2)c1=S ZINC000765038657 859744240 /nfs/dbraw/zinc/74/42/40/859744240.db2.gz OEVIKAJKCPHNDE-INIZCTEOSA-N 1 0 391.610 3.950 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@H](C[NH+](CC)CC)C2)c1=S ZINC000765039939 859758610 /nfs/dbraw/zinc/75/86/10/859758610.db2.gz VZDPTAWMEMDKPH-MRXNPFEDSA-N 1 0 391.610 3.950 20 30 GHEDRO COc1ccccc1OCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000611497796 859785753 /nfs/dbraw/zinc/78/57/53/859785753.db2.gz OQNZQKOWDNZZAL-UHFFFAOYSA-N 1 0 376.460 3.526 20 30 GHEDRO CCOC(=O)CCC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000611500681 859787439 /nfs/dbraw/zinc/78/74/39/859787439.db2.gz OEEKIPQEQVSPPN-UHFFFAOYSA-N 1 0 379.298 3.876 20 30 GHEDRO CCCc1c(NC(=O)C23CCC[NH+](CCC2)C3)cnn1-c1cccc(C#N)c1 ZINC000602143122 859805625 /nfs/dbraw/zinc/80/56/25/859805625.db2.gz RACZCKDGPTWVHF-UHFFFAOYSA-N 1 0 377.492 3.511 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000484103861 859807317 /nfs/dbraw/zinc/80/73/17/859807317.db2.gz TXIWTLSPCKZTAU-OAQYLSRUSA-N 1 0 395.478 3.939 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000163548608 859922522 /nfs/dbraw/zinc/92/25/22/859922522.db2.gz UAHWKMPOVFOVOX-HXUWFJFHSA-N 1 0 391.519 3.995 20 30 GHEDRO CCc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000593488649 859968817 /nfs/dbraw/zinc/96/88/17/859968817.db2.gz KYMULAKVTWSAKG-UHFFFAOYSA-N 1 0 376.504 3.538 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C[C@@H]1C(F)(F)F ZINC000895862501 860001302 /nfs/dbraw/zinc/00/13/02/860001302.db2.gz XPBVRZBNDNLEDK-MLHJIOFPSA-N 1 0 380.410 3.525 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\CCc2ccc(OC)c(OC)c2OC)c(O)c1 ZINC000727685115 860003081 /nfs/dbraw/zinc/00/30/81/860003081.db2.gz APAIOUAGBCYABF-HAHDFKILSA-N 1 0 386.492 3.926 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000727241460 860010077 /nfs/dbraw/zinc/01/00/77/860010077.db2.gz PDQBCVOETFXWDB-FCHUYYIVSA-N 1 0 381.520 3.713 20 30 GHEDRO C[C@H](c1cccc(O)c1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511283 860071261 /nfs/dbraw/zinc/07/12/61/860071261.db2.gz JCDAQGDLVWEEIA-QGZVFWFLSA-N 1 0 392.503 3.631 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc(Br)c1OC ZINC000602543081 860088990 /nfs/dbraw/zinc/08/89/90/860088990.db2.gz HGWLAUWWHZUWHO-CYBMUJFWSA-N 1 0 397.313 3.655 20 30 GHEDRO C[C@@H]1CC[C@]2(CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C2)C1 ZINC000593514416 860102098 /nfs/dbraw/zinc/10/20/98/860102098.db2.gz WVRJCPXAYCOTQJ-JPYJTQIMSA-N 1 0 380.536 3.744 20 30 GHEDRO CC[C@H](C)[C@@H]([NH2+]Cc1cccc(C#N)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000602535789 860104932 /nfs/dbraw/zinc/10/49/32/860104932.db2.gz SKOWTPJEQYDCNX-HTAPYJJXSA-N 1 0 391.519 3.696 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000765543090 860126953 /nfs/dbraw/zinc/12/69/53/860126953.db2.gz ZCHIOANRKZJOOY-LADGPHEKSA-N 1 0 388.511 3.825 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(CCc3c(Cl)cccc3Cl)no1)C2 ZINC000904104809 860128966 /nfs/dbraw/zinc/12/89/66/860128966.db2.gz YLUOHYSEMAKLPO-BJCXPLBRSA-N 1 0 377.275 3.768 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]C2CCC(C#N)CC2)c2ccc(F)cc2)c1 ZINC000602586368 860149940 /nfs/dbraw/zinc/14/99/40/860149940.db2.gz ASUKVFVBDYBCJS-FFYTWODTSA-N 1 0 386.492 3.991 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000602621758 860161245 /nfs/dbraw/zinc/16/12/45/860161245.db2.gz QCHWQHLYHFZYRK-JKSUJKDBSA-N 1 0 381.442 3.973 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000598261543 860193718 /nfs/dbraw/zinc/19/37/18/860193718.db2.gz GXXXFWGDNIOAEU-QGZVFWFLSA-N 1 0 381.476 3.580 20 30 GHEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000922603715 860303966 /nfs/dbraw/zinc/30/39/66/860303966.db2.gz UIESLPVGWYRXRB-RTWAWAEBSA-N 1 0 398.551 3.706 20 30 GHEDRO C=CCn1c(C2CC2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508965915 860308790 /nfs/dbraw/zinc/30/87/90/860308790.db2.gz XTMCGXBWGZAPCU-RTWAWAEBSA-N 1 0 377.536 3.832 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864851 860320207 /nfs/dbraw/zinc/32/02/07/860320207.db2.gz QUZNJLDUDZGBRY-ZCNNSNEGSA-N 1 0 390.531 3.523 20 30 GHEDRO Cn1ccnc1COc1ccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602908281 860342735 /nfs/dbraw/zinc/34/27/35/860342735.db2.gz PZLJCZYJQZGTOU-UHFFFAOYSA-N 1 0 387.487 3.645 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)cc1 ZINC000765627494 860358240 /nfs/dbraw/zinc/35/82/40/860358240.db2.gz WIHLQJWJWDCCRG-INIZCTEOSA-N 1 0 388.895 3.994 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000329457421 860365663 /nfs/dbraw/zinc/36/56/63/860365663.db2.gz QQZQTUXJRHGHAR-UTKZUKDTSA-N 1 0 376.460 3.908 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000602918436 860367507 /nfs/dbraw/zinc/36/75/07/860367507.db2.gz QLPPDQRMIMMWQJ-PJSAGSTRSA-N 1 0 387.867 3.868 20 30 GHEDRO COc1ccnc(O[C@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)c1 ZINC001170398087 881531241 /nfs/dbraw/zinc/53/12/41/881531241.db2.gz LKTVBDAQLCRECJ-SWCONJRYSA-N 1 0 377.488 3.947 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000555291214 860378254 /nfs/dbraw/zinc/37/82/54/860378254.db2.gz BYCZMYSURHKOJZ-VXKWHMMOSA-N 1 0 382.529 3.784 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)o1 ZINC000598537612 860381257 /nfs/dbraw/zinc/38/12/57/860381257.db2.gz JJYLQZYBYYLKLJ-UHFFFAOYSA-N 1 0 393.487 3.582 20 30 GHEDRO COc1ccc(CC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000155183893 860430031 /nfs/dbraw/zinc/43/00/31/860430031.db2.gz LYRXWNXTWTZKGW-UHFFFAOYSA-N 1 0 383.517 3.912 20 30 GHEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000155194801 860433900 /nfs/dbraw/zinc/43/39/00/860433900.db2.gz XBSHXPFGIGFYKN-RBUKOAKNSA-N 1 0 399.498 3.869 20 30 GHEDRO N#Cc1c(C#N)c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nc2c1CCCCCC2 ZINC000330116561 860478827 /nfs/dbraw/zinc/47/88/27/860478827.db2.gz VQIQXTVYFCKQGT-SFHVURJKSA-N 1 0 377.536 3.796 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508998748 860483313 /nfs/dbraw/zinc/48/33/13/860483313.db2.gz DRDHWIMEGDJISM-HXUWFJFHSA-N 1 0 397.567 3.791 20 30 GHEDRO C=CCn1c(N2CCC([NH+]3CCCC3)CC2)nnc1C(C)(C)c1ccccc1 ZINC000508999358 860487471 /nfs/dbraw/zinc/48/74/71/860487471.db2.gz WDNJJRXQTYWLEF-UHFFFAOYSA-N 1 0 379.552 3.855 20 30 GHEDRO C#CCCC1(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)N=N1 ZINC001168556002 860595915 /nfs/dbraw/zinc/59/59/15/860595915.db2.gz XFCQLJXTGRPGOU-ZIAGYGMSSA-N 1 0 388.434 3.872 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2[nH]c(C(F)F)nc2c1)C(C)C ZINC000603287866 860625507 /nfs/dbraw/zinc/62/55/07/860625507.db2.gz MWRMIYZLVZNHRS-KRWDZBQOSA-N 1 0 376.451 3.929 20 30 GHEDRO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](C4CCC(C#N)(c5ccccc5)CC4)C[C@H]3O2)n1 ZINC001170384070 881561189 /nfs/dbraw/zinc/56/11/89/881561189.db2.gz VBFAQGMIXFSJDD-LENHXRDQSA-N 1 0 392.503 3.934 20 30 GHEDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000922873109 860690734 /nfs/dbraw/zinc/69/07/34/860690734.db2.gz QWCPYIQNYVAWHK-PKOBYXMFSA-N 1 0 390.491 3.835 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(-c2ccccc2)n1 ZINC000603419805 860695575 /nfs/dbraw/zinc/69/55/75/860695575.db2.gz ALODACKGORIRLG-NRFANRHFSA-N 1 0 399.498 3.638 20 30 GHEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC1CC1 ZINC000598973445 860707314 /nfs/dbraw/zinc/70/73/14/860707314.db2.gz IOEVEXAXPHYNAL-UHFFFAOYSA-N 1 0 393.487 3.983 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)C[C@H](C)O1 ZINC000603434601 860712954 /nfs/dbraw/zinc/71/29/54/860712954.db2.gz DKULDSGMIZTOMQ-WEMPKCCASA-N 1 0 398.551 3.520 20 30 GHEDRO C[C@@H](CCNC(=O)N1CCc2c(CC#N)cccc2C1)[N@H+](C)Cc1ccccc1 ZINC000599000747 860719794 /nfs/dbraw/zinc/71/97/94/860719794.db2.gz DEYLKWHZQPSMHA-IBGZPJMESA-N 1 0 390.531 3.731 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CN(c4ccc(Cl)cc4)CCO3)cc2)CC1 ZINC000598994285 860728165 /nfs/dbraw/zinc/72/81/65/860728165.db2.gz IOBYVBHPDIIRGI-NRFANRHFSA-N 1 0 381.907 3.890 20 30 GHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)OCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000840537962 860745675 /nfs/dbraw/zinc/74/56/75/860745675.db2.gz OCNZFNUQQRPQOB-HSZRJFAPSA-N 1 0 387.483 3.970 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)Cc1cccc(OC)c1OC(F)F ZINC000125733676 860762060 /nfs/dbraw/zinc/76/20/60/860762060.db2.gz JGMTZAANHIMGAV-UHFFFAOYSA-N 1 0 376.403 3.817 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000599064349 860770963 /nfs/dbraw/zinc/77/09/63/860770963.db2.gz BIXROSCZJMEWFH-LJQANCHMSA-N 1 0 378.463 3.872 20 30 GHEDRO C=C(C)COCCNC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000474796866 860783986 /nfs/dbraw/zinc/78/39/86/860783986.db2.gz WTHSAMBRMVWFJJ-UHFFFAOYSA-N 1 0 399.457 3.515 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cccc(F)c3C#N)C2)ccn1 ZINC000856604956 881579834 /nfs/dbraw/zinc/57/98/34/881579834.db2.gz UUVDAFLRYHONJM-FQEVSTJZSA-N 1 0 382.483 3.586 20 30 GHEDRO Cc1nc(SCC(=O)NCC2([NH+](C)C)CCCCCC2)c(C#N)c(C)c1C ZINC000603578503 860834112 /nfs/dbraw/zinc/83/41/12/860834112.db2.gz DQCPRKAFZUHJRA-UHFFFAOYSA-N 1 0 388.581 3.741 20 30 GHEDRO N#CC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CCCC1 ZINC000600070933 860890457 /nfs/dbraw/zinc/89/04/57/860890457.db2.gz IXLZRXZZGKYZEE-RTBURBONSA-N 1 0 394.544 3.559 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(=O)N(C)Cc2ccccc2)cc1OC ZINC000623363511 860934590 /nfs/dbraw/zinc/93/45/90/860934590.db2.gz YZTISUCEQRUBFZ-UHFFFAOYSA-N 1 0 388.895 3.662 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1COc2ccccc21 ZINC000185557918 860948176 /nfs/dbraw/zinc/94/81/76/860948176.db2.gz NVYYBRRSQAUXDK-RDTXWAMCSA-N 1 0 395.528 3.981 20 30 GHEDRO C[C@@H]1C(=O)Nc2cc(C(=O)N[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)ccc2N1C ZINC000329019610 860952365 /nfs/dbraw/zinc/95/23/65/860952365.db2.gz LKTUZFIFSVTWOJ-DKSSEZFCSA-N 1 0 378.476 3.515 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CN3CCCCCCC3=O)c2)CC1 ZINC000329023696 860953892 /nfs/dbraw/zinc/95/38/92/860953892.db2.gz UPDFZULIXDCWBP-UHFFFAOYSA-N 1 0 386.540 3.598 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)C1 ZINC000329049401 860977178 /nfs/dbraw/zinc/97/71/78/860977178.db2.gz KJXSDKRAWMPWMO-DYQZNNLLSA-N 1 0 379.589 3.674 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000170912577 860977508 /nfs/dbraw/zinc/97/75/08/860977508.db2.gz LQZNUEJULUGKAY-UHFFFAOYSA-N 1 0 399.498 3.698 20 30 GHEDRO CCC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H]1CCCCO1 ZINC000730261381 860982100 /nfs/dbraw/zinc/98/21/00/860982100.db2.gz IRDHZNXBARNOHZ-ROUUACIJSA-N 1 0 378.476 3.505 20 30 GHEDRO Cc1nc(CC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)no1 ZINC000896552203 861005586 /nfs/dbraw/zinc/00/55/86/861005586.db2.gz ZZILCWXGZRQLFV-UHFFFAOYSA-N 1 0 390.491 3.610 20 30 GHEDRO Cn1ccc2ccc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cc2c1=O ZINC000329087315 861006502 /nfs/dbraw/zinc/00/65/02/861006502.db2.gz VAFQVZZIEGXYTR-UHFFFAOYSA-N 1 0 396.535 3.672 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCc2ccccc2)cc1 ZINC000185575044 861009639 /nfs/dbraw/zinc/00/96/39/861009639.db2.gz RSQHVDQUUFVXTD-UHFFFAOYSA-O 1 0 386.500 3.883 20 30 GHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329093501 861011570 /nfs/dbraw/zinc/01/15/70/861011570.db2.gz KERDJJRVHXEKOM-SFHVURJKSA-N 1 0 389.565 3.974 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329119110 861036081 /nfs/dbraw/zinc/03/60/81/861036081.db2.gz OXYNREIXBPKVKE-JNEKLRAESA-N 1 0 387.568 3.635 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000603687274 861041637 /nfs/dbraw/zinc/04/16/37/861041637.db2.gz SVLQCJHIHZVQCX-NRFANRHFSA-N 1 0 379.529 3.745 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)cc1 ZINC000282415691 861049257 /nfs/dbraw/zinc/04/92/57/861049257.db2.gz ZJLNSQRYNONEFK-UHFFFAOYSA-N 1 0 378.398 3.662 20 30 GHEDRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599315251 861054948 /nfs/dbraw/zinc/05/49/48/861054948.db2.gz HQWIPFIMFFQSTL-JOCHJYFZSA-N 1 0 394.515 3.769 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000603701053 861060644 /nfs/dbraw/zinc/06/06/44/861060644.db2.gz PUKXLEMXTBRZRY-KDURUIRLSA-N 1 0 391.515 3.731 20 30 GHEDRO O=C(NCc1nc2cc(Br)ccc2o1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000329152746 861074452 /nfs/dbraw/zinc/07/44/52/861074452.db2.gz BLACNBCRVAASQY-INIZCTEOSA-N 1 0 378.270 3.921 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1OC ZINC000623454558 861084049 /nfs/dbraw/zinc/08/40/49/861084049.db2.gz KIWQBEQMFXLRCJ-INIZCTEOSA-N 1 0 381.900 3.731 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000599350767 861088296 /nfs/dbraw/zinc/08/82/96/861088296.db2.gz ZIJGORBHYWGJML-WMLDXEAASA-N 1 0 394.393 3.590 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000599350539 861088676 /nfs/dbraw/zinc/08/86/76/861088676.db2.gz TVMXFTGSRWVNPJ-JXFKEZNVSA-N 1 0 395.478 3.712 20 30 GHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC2CCS(=O)(=O)CC2)[C@@H]2CCCC[C@@H]12 ZINC000329160814 861089709 /nfs/dbraw/zinc/08/97/09/861089709.db2.gz DYHLVIUKVACUJC-FLFBIERCSA-N 1 0 398.613 3.835 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1OC ZINC000623469469 861098014 /nfs/dbraw/zinc/09/80/14/861098014.db2.gz AXPSRTHNBBGDQG-UHFFFAOYSA-N 1 0 389.805 3.956 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000623478595 861122909 /nfs/dbraw/zinc/12/29/09/861122909.db2.gz RBBYHHFOLBBDHU-QGZVFWFLSA-N 1 0 379.859 3.746 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000444033104 863179024 /nfs/dbraw/zinc/17/90/24/863179024.db2.gz RIOKMHKFJBNELX-BBRMVZONSA-N 1 0 398.429 3.836 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCOC[C@@H]1c1ccc(CC)o1)C(C)C ZINC000605956740 863331120 /nfs/dbraw/zinc/33/11/20/863331120.db2.gz FDSVVZHQQZSEQU-VQTJNVASSA-N 1 0 389.540 3.624 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CCCOC1 ZINC000593066845 863394491 /nfs/dbraw/zinc/39/44/91/863394491.db2.gz GURJDVIOPPQRIW-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H](CO)c1cccc(Br)c1 ZINC000281871321 863443333 /nfs/dbraw/zinc/44/33/33/863443333.db2.gz CGSBUUDQGSTRCW-QGZVFWFLSA-N 1 0 381.314 3.515 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCCC13CCOCC3)CCCC2 ZINC000281931481 863504938 /nfs/dbraw/zinc/50/49/38/863504938.db2.gz DIXSHZZSSOUEFI-SFHVURJKSA-N 1 0 387.549 3.766 20 30 GHEDRO N#CCCn1cc(CN(CCC[NH3+])c2cccc(F)c2)c(-c2ccccc2)n1 ZINC000183220488 863509926 /nfs/dbraw/zinc/50/99/26/863509926.db2.gz KADDGQJJHWRBRZ-UHFFFAOYSA-N 1 0 377.467 3.958 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[N@@H+](C3CCCC3)CC2)nc1-c1cccnc1 ZINC000172512281 863708088 /nfs/dbraw/zinc/70/80/88/863708088.db2.gz BXYQVRIYDHFAPA-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO Cc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000594008464 863733390 /nfs/dbraw/zinc/73/33/90/863733390.db2.gz PFHQQMMNBKFFSE-QGZVFWFLSA-N 1 0 392.503 3.574 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC000103097404 863865382 /nfs/dbraw/zinc/86/53/82/863865382.db2.gz ZXWXYHWSTWOBIJ-LJQANCHMSA-N 1 0 386.536 3.988 20 30 GHEDRO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000480099016 864059096 /nfs/dbraw/zinc/05/90/96/864059096.db2.gz PJEBDQWMASZGBG-LJQANCHMSA-N 1 0 386.417 3.663 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508472329 864172913 /nfs/dbraw/zinc/17/29/13/864172913.db2.gz JSMIXROZFXNDHC-HXUWFJFHSA-N 1 0 397.567 3.828 20 30 GHEDRO COc1cccc(NC(=S)NN=C2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000734363241 864177622 /nfs/dbraw/zinc/17/76/22/864177622.db2.gz YTUIONVHHWMTEL-MRXNPFEDSA-N 1 0 382.533 3.880 20 30 GHEDRO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)s1 ZINC000896970481 864200172 /nfs/dbraw/zinc/20/01/72/864200172.db2.gz RZXRIFRZPNKAFV-INIZCTEOSA-N 1 0 385.489 3.602 20 30 GHEDRO Cc1cc(C(O)=CONC(=[NH2+])Cc2ccccc2)c(C)n1Cc1ccccc1 ZINC000072001931 864282882 /nfs/dbraw/zinc/28/28/82/864282882.db2.gz FQNSSKZODKWDQE-UHFFFAOYSA-N 1 0 375.472 3.867 20 30 GHEDRO C#CCC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000184357337 864384328 /nfs/dbraw/zinc/38/43/28/864384328.db2.gz MWGGPRRLNBQIGI-UHFFFAOYSA-N 1 0 389.543 3.675 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000184360250 864385486 /nfs/dbraw/zinc/38/54/86/864385486.db2.gz SQVXTFMWBBNVEZ-IRXDYDNUSA-N 1 0 378.476 3.546 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000734845620 864472910 /nfs/dbraw/zinc/47/29/10/864472910.db2.gz WUEWHGSFCOHKGC-LIRRHRJNSA-N 1 0 378.394 3.994 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000554613254 864615773 /nfs/dbraw/zinc/61/57/73/864615773.db2.gz WZONUWKCJMIHEX-GOSISDBHSA-N 1 0 392.551 3.835 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186292325 864684954 /nfs/dbraw/zinc/68/49/54/864684954.db2.gz IPLDBWAFEKKKAF-KRWDZBQOSA-N 1 0 383.517 3.600 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475322133 864754853 /nfs/dbraw/zinc/75/48/53/864754853.db2.gz ZXIBBLQNFOKSKO-UHFFFAOYSA-N 1 0 385.458 3.970 20 30 GHEDRO CCCOc1cc(OC)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000475343372 864819547 /nfs/dbraw/zinc/81/95/47/864819547.db2.gz RRJLVGWVIKRQCH-UHFFFAOYSA-N 1 0 395.503 3.560 20 30 GHEDRO COC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1 ZINC000554747323 864847255 /nfs/dbraw/zinc/84/72/55/864847255.db2.gz SXSHSXTZKWARRC-VQTJNVASSA-N 1 0 383.879 3.684 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(N(C)C)c1 ZINC000608051915 864977258 /nfs/dbraw/zinc/97/72/58/864977258.db2.gz NYNDOXTUOZBVMX-UHFFFAOYSA-N 1 0 385.581 3.851 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508476043 865051603 /nfs/dbraw/zinc/05/16/03/865051603.db2.gz APLKAUHOZAJMHV-KRWDZBQOSA-N 1 0 399.514 3.808 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001126892560 865231424 /nfs/dbraw/zinc/23/14/24/865231424.db2.gz VBBXHFKXSGOZAA-PMACEKPBSA-N 1 0 389.543 3.990 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000554953589 865232963 /nfs/dbraw/zinc/23/29/63/865232963.db2.gz FBRMBMVRUBNJDN-GDIGMMSISA-N 1 0 381.923 3.627 20 30 GHEDRO CCCOc1ccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750374 865305422 /nfs/dbraw/zinc/30/54/22/865305422.db2.gz LCSURLZERHJQNV-UHFFFAOYSA-N 1 0 379.504 3.874 20 30 GHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1OC ZINC000487473243 865335256 /nfs/dbraw/zinc/33/52/56/865335256.db2.gz DOEPITLDHICHMZ-UHFFFAOYSA-N 1 0 382.504 3.772 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)CC1 ZINC000171721671 865344974 /nfs/dbraw/zinc/34/49/74/865344974.db2.gz FXSDIQPFKODRRY-UHFFFAOYSA-N 1 0 398.576 3.854 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC000171731450 865347053 /nfs/dbraw/zinc/34/70/53/865347053.db2.gz QIGRBOXAKNJYGH-UHFFFAOYSA-N 1 0 394.357 3.676 20 30 GHEDRO N#CCc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000172230346 865531866 /nfs/dbraw/zinc/53/18/66/865531866.db2.gz ABDBNTATILLLCG-LJQANCHMSA-N 1 0 387.405 3.776 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNc3cccc(C#N)c3)cc2)C1 ZINC000494546382 881892703 /nfs/dbraw/zinc/89/27/03/881892703.db2.gz ZOJJZZSBQQSBCL-GOSISDBHSA-N 1 0 376.504 3.518 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC(=O)NC1(C#N)CCCCC1 ZINC000608780247 865688550 /nfs/dbraw/zinc/68/85/50/865688550.db2.gz QIJWCGLGRHAUJK-UHFFFAOYSA-N 1 0 398.482 3.688 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNc1cccc(C#N)c1 ZINC000494548755 881897248 /nfs/dbraw/zinc/89/72/48/881897248.db2.gz SSJCLKONVKZLEC-GOSISDBHSA-N 1 0 376.504 3.661 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000594307226 865747302 /nfs/dbraw/zinc/74/73/02/865747302.db2.gz KRCIKWLTLDIOCX-PMACEKPBSA-N 1 0 375.516 3.860 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000481165503 865903420 /nfs/dbraw/zinc/90/34/20/865903420.db2.gz BYJPZUIRXPAULL-LAUBAEHRSA-N 1 0 387.487 3.608 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609018319 865924611 /nfs/dbraw/zinc/92/46/11/865924611.db2.gz UEXVNVXISOSBHW-RXVVDRJESA-N 1 0 377.488 3.669 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000740737260 865975102 /nfs/dbraw/zinc/97/51/02/865975102.db2.gz IBIHEKNVGMDKQF-UHFFFAOYSA-N 1 0 379.938 3.743 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000740737439 865975342 /nfs/dbraw/zinc/97/53/42/865975342.db2.gz NHXOMOLPLGOPTK-RTBURBONSA-N 1 0 393.556 3.950 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000475542293 866250930 /nfs/dbraw/zinc/25/09/30/866250930.db2.gz KOQNYMGUVOLVPF-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000303771151 866329891 /nfs/dbraw/zinc/32/98/91/866329891.db2.gz CLCNCJCOEUZAFO-LJQANCHMSA-N 1 0 388.487 3.653 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C12CCC2 ZINC001168342464 881967667 /nfs/dbraw/zinc/96/76/67/881967667.db2.gz ZYXWLQSDZKMCMT-YADHBBJMSA-N 1 0 389.499 3.740 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)n2c1 ZINC000174621437 866451758 /nfs/dbraw/zinc/45/17/58/866451758.db2.gz IQTPEHSNOKDSTE-INIZCTEOSA-N 1 0 397.429 3.566 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000741520255 866568636 /nfs/dbraw/zinc/56/86/36/866568636.db2.gz AHLWCMBULCYCLA-UHFFFAOYSA-N 1 0 397.906 3.746 20 30 GHEDRO [NH2+]=C(NCc1cccnc1OCC(F)F)Nc1ccccc1OC(F)(F)F ZINC000305727563 866631404 /nfs/dbraw/zinc/63/14/04/866631404.db2.gz JRESADPOPBJLHT-UHFFFAOYSA-N 1 0 390.312 3.551 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508832708 866836856 /nfs/dbraw/zinc/83/68/56/866836856.db2.gz LJAHWSINYWIFCE-XUVXKRRUSA-N 1 0 387.572 3.510 20 30 GHEDRO OC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000534512529 866915920 /nfs/dbraw/zinc/91/59/20/866915920.db2.gz APSGKEJQYBZSOR-KOLCDFICSA-N 1 0 399.253 3.962 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000742119495 867060881 /nfs/dbraw/zinc/06/08/81/867060881.db2.gz XWLRQLSXYXCRRG-WSCHBXBGSA-N 1 0 384.520 3.608 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508834112 867092382 /nfs/dbraw/zinc/09/23/82/867092382.db2.gz SANRFRKAFYLVIO-SLFFLAALSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CCCC1(C)C ZINC000444792966 867256524 /nfs/dbraw/zinc/25/65/24/867256524.db2.gz QVNQMYLKDXSJLW-SFHVURJKSA-N 1 0 396.539 3.593 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000553364900 867269407 /nfs/dbraw/zinc/26/94/07/867269407.db2.gz BJVXXPZEMUEKPA-MBSDFSHPSA-N 1 0 387.483 3.905 20 30 GHEDRO CC[C@@H](C)Oc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000479215186 867367425 /nfs/dbraw/zinc/36/74/25/867367425.db2.gz LODUETBWFRMGRU-GOSISDBHSA-N 1 0 392.503 3.547 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2)C1 ZINC000857166907 882075150 /nfs/dbraw/zinc/07/51/50/882075150.db2.gz OGQRBIXFSGFECJ-GOTSBHOMSA-N 1 0 389.499 3.581 20 30 GHEDRO N#C[C@H](COC(=O)c1ccc2c[nH+]cn2c1)Cc1ccccc1Br ZINC000793301395 882082300 /nfs/dbraw/zinc/08/23/00/882082300.db2.gz BHRTTYFZDDYJQP-CYBMUJFWSA-N 1 0 384.233 3.636 20 30 GHEDRO N#CC1(NC(=O)CSc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479270365 867493550 /nfs/dbraw/zinc/49/35/50/867493550.db2.gz AMYWNTHGQZOJGF-UHFFFAOYSA-N 1 0 383.492 3.592 20 30 GHEDRO C[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000479306742 867514304 /nfs/dbraw/zinc/51/43/04/867514304.db2.gz CKGLCIDANZOUTJ-GOSISDBHSA-N 1 0 379.479 3.994 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000440621836 867533969 /nfs/dbraw/zinc/53/39/69/867533969.db2.gz GGBKGUSMJNXQRN-WIYYLYMNSA-N 1 0 389.421 3.909 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479375977 867651208 /nfs/dbraw/zinc/65/12/08/867651208.db2.gz DKPJCONRWIWQKW-RTBURBONSA-N 1 0 375.561 3.672 20 30 GHEDRO CN(C(=O)[C@H](C#N)CCc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072284 867654423 /nfs/dbraw/zinc/65/44/23/867654423.db2.gz ROTRAWCFABQKFV-KRWDZBQOSA-N 1 0 381.442 3.634 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183756028 867697682 /nfs/dbraw/zinc/69/76/82/867697682.db2.gz UKBFSEXOJCUYRA-LJQANCHMSA-N 1 0 382.533 3.545 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCc1ccncc1 ZINC000121531696 867723706 /nfs/dbraw/zinc/72/37/06/867723706.db2.gz YWYOCLRLQZBSKD-UHFFFAOYSA-N 1 0 382.533 3.787 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508841781 867801498 /nfs/dbraw/zinc/80/14/98/867801498.db2.gz UNCWXIMRPQYKEU-CEWLAPEOSA-N 1 0 395.551 3.520 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508841028 867876480 /nfs/dbraw/zinc/87/64/80/867876480.db2.gz OCBXSWHJNQJRHO-GOSISDBHSA-N 1 0 399.539 3.533 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1OC ZINC000154437663 867911440 /nfs/dbraw/zinc/91/14/40/867911440.db2.gz BJXJERNEPSJYQJ-INIZCTEOSA-N 1 0 384.314 3.758 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000743203100 867925506 /nfs/dbraw/zinc/92/55/06/867925506.db2.gz VIQOQUVUHSNUHB-IAGOWNOFSA-N 1 0 375.488 3.717 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000743196706 867943963 /nfs/dbraw/zinc/94/39/63/867943963.db2.gz WYUDSPWXFAMBNO-IBGZPJMESA-N 1 0 395.478 3.871 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190629625 882143979 /nfs/dbraw/zinc/14/39/79/882143979.db2.gz HOJUBKSEHBOLLG-LIRRHRJNSA-N 1 0 385.414 3.611 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000743493221 868237493 /nfs/dbraw/zinc/23/74/93/868237493.db2.gz JXVVKVOCXUABCO-UHFFFAOYSA-N 1 0 384.483 3.514 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479644181 868285002 /nfs/dbraw/zinc/28/50/02/868285002.db2.gz GKAZYLMJYQPFLJ-KDURUIRLSA-N 1 0 391.556 3.618 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)o2)cc1 ZINC000609072094 868285967 /nfs/dbraw/zinc/28/59/67/868285967.db2.gz IACDOXUYZNELTB-LJQANCHMSA-N 1 0 393.487 3.821 20 30 GHEDRO CCCCCCCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000743584598 868286866 /nfs/dbraw/zinc/28/68/66/868286866.db2.gz VXZFZSHLFCLFAT-OAHLLOKOSA-N 1 0 375.966 3.655 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000442722946 868404645 /nfs/dbraw/zinc/40/46/45/868404645.db2.gz RAGJOFADDKILRF-RISCZKNCSA-N 1 0 390.306 3.838 20 30 GHEDRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ncc1C#N ZINC000457547588 868478687 /nfs/dbraw/zinc/47/86/87/868478687.db2.gz ILHUJOMDDFTDNG-UHFFFAOYSA-N 1 0 382.895 3.557 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000743863156 868479902 /nfs/dbraw/zinc/47/99/02/868479902.db2.gz YMEVNTBWXIIMKS-UHFFFAOYSA-N 1 0 381.432 3.779 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000535289720 868498158 /nfs/dbraw/zinc/49/81/58/868498158.db2.gz UVUAFBSIOVWBNU-LADGPHEKSA-N 1 0 375.516 3.883 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccsc1 ZINC000524136031 868614954 /nfs/dbraw/zinc/61/49/54/868614954.db2.gz CLUGAADIGYAQIJ-IBGZPJMESA-N 1 0 395.484 3.824 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)[NH+](C)C)cc1 ZINC000554015020 868625882 /nfs/dbraw/zinc/62/58/82/868625882.db2.gz GWNFLNPWWNMYBI-UWJYYQICSA-N 1 0 395.503 3.532 20 30 GHEDRO CCN1CC[C@@H](NC(=O)c2cc(C)c(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457718504 868679822 /nfs/dbraw/zinc/67/98/22/868679822.db2.gz VVFVKJGGABQEAW-MJGOQNOKSA-N 1 0 386.858 3.620 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825541 868792654 /nfs/dbraw/zinc/79/26/54/868792654.db2.gz UGODHYUMSIVNQR-DLBZAZTESA-N 1 0 380.492 3.738 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H](O)c1ccc(C)cc1 ZINC000744421121 868806050 /nfs/dbraw/zinc/80/60/50/868806050.db2.gz VSTPKFKNIPNMCM-FQEVSTJZSA-N 1 0 385.895 3.904 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000524460903 869086022 /nfs/dbraw/zinc/08/60/22/869086022.db2.gz QCZZMZYDRMEOIL-IBGZPJMESA-N 1 0 377.488 3.597 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000524451520 869101539 /nfs/dbraw/zinc/10/15/39/869101539.db2.gz JZSINSAFPZAHAH-RXVVDRJESA-N 1 0 397.544 3.713 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1C ZINC000524617882 869350007 /nfs/dbraw/zinc/35/00/07/869350007.db2.gz JIVYSRCCQKPGDJ-SJLPKXTDSA-N 1 0 381.476 3.675 20 30 GHEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccccc3C#N)cc1)CC2 ZINC000152877180 869574384 /nfs/dbraw/zinc/57/43/84/869574384.db2.gz UAMYRJONHRYVOC-PKTZIBPZSA-N 1 0 376.500 3.977 20 30 GHEDRO CC[C@@H](C)[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000446274301 869624634 /nfs/dbraw/zinc/62/46/34/869624634.db2.gz FZKVLZBWQYQVMQ-QAPCUYQASA-N 1 0 396.457 3.753 20 30 GHEDRO C[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000462541868 869633176 /nfs/dbraw/zinc/63/31/76/869633176.db2.gz IVTIHXAGGPWOIA-SFHVURJKSA-N 1 0 376.504 3.822 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1=O ZINC000539710771 869642362 /nfs/dbraw/zinc/64/23/62/869642362.db2.gz BKRGJVCDEWJTKE-RBUKOAKNSA-N 1 0 385.305 3.915 20 30 GHEDRO C=CC[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000745826441 869848397 /nfs/dbraw/zinc/84/83/97/869848397.db2.gz VBWAGEZWOJBYSX-IFMALSPDSA-N 1 0 378.520 3.862 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000746157309 870083932 /nfs/dbraw/zinc/08/39/32/870083932.db2.gz WZISWWNYJISPGG-LJQANCHMSA-N 1 0 378.394 3.759 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508865170 870334991 /nfs/dbraw/zinc/33/49/91/870334991.db2.gz SSTTVLDJCQVGEY-JOCHJYFZSA-N 1 0 393.579 3.952 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)ccc2NC(C)C)CC1 ZINC000746334206 870385580 /nfs/dbraw/zinc/38/55/80/870385580.db2.gz QCBVZDRVMOTTLR-UHFFFAOYSA-N 1 0 378.314 3.553 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2ccc3sccc3c2)CC1 ZINC001192447541 870409834 /nfs/dbraw/zinc/40/98/34/870409834.db2.gz NNKFFKAFJKELSG-UHFFFAOYSA-N 1 0 384.549 3.725 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000092709132 882421189 /nfs/dbraw/zinc/42/11/89/882421189.db2.gz AYILVEVCIXRBNC-INIZCTEOSA-N 1 0 389.459 3.802 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000766348010 870589624 /nfs/dbraw/zinc/58/96/24/870589624.db2.gz QMQUQPNUFNMIKE-UHFFFAOYSA-N 1 0 395.503 3.654 20 30 GHEDRO N#Cc1ccc(C(=O)NC2CCN(Cc3ccccc3C(F)(F)F)CC2)o1 ZINC001192691058 870602234 /nfs/dbraw/zinc/60/22/34/870602234.db2.gz GLDJUGPVXYONIG-UHFFFAOYSA-N 1 0 377.366 3.564 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1OCCCO ZINC000463036822 870715178 /nfs/dbraw/zinc/71/51/78/870715178.db2.gz SCHQSPUWUDIUPU-LBPRGKRZSA-N 1 0 395.322 3.994 20 30 GHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670211707 870909875 /nfs/dbraw/zinc/90/98/75/870909875.db2.gz CZMAZPHOHZNFDM-KRWDZBQOSA-N 1 0 392.507 3.707 20 30 GHEDRO C[C@@H](CCc1cccc(F)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000463126118 870936525 /nfs/dbraw/zinc/93/65/25/870936525.db2.gz YFJBFVOSSNLGJR-SFHVURJKSA-N 1 0 381.495 3.856 20 30 GHEDRO CN(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000181387909 870958753 /nfs/dbraw/zinc/95/87/53/870958753.db2.gz GEHDWHQTNOXECJ-QHCPKHFHSA-N 1 0 380.511 3.554 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000540350903 871043761 /nfs/dbraw/zinc/04/37/61/871043761.db2.gz FEWRQPMWQPGYLL-SFHVURJKSA-N 1 0 376.460 3.785 20 30 GHEDRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)c(C)n2n1 ZINC000538987802 871056179 /nfs/dbraw/zinc/05/61/79/871056179.db2.gz LYNRIVXTMVYVIL-CRAIPNDOSA-N 1 0 392.482 3.677 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)c(C)o1 ZINC000093009340 882475020 /nfs/dbraw/zinc/47/50/20/882475020.db2.gz PTVPEQVQSCJYCB-UHFFFAOYSA-N 1 0 395.503 3.973 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000181526132 871143594 /nfs/dbraw/zinc/14/35/94/871143594.db2.gz CPUCYGUDWFHCOV-DLBZAZTESA-N 1 0 393.487 3.658 20 30 GHEDRO Cc1cc(S(=O)(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001193518170 871156750 /nfs/dbraw/zinc/15/67/50/871156750.db2.gz VRUPKNYSPCNCBZ-NRFANRHFSA-N 1 0 397.544 3.590 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448924071 871161098 /nfs/dbraw/zinc/16/10/98/871161098.db2.gz XFOLGHYZQWNYSM-UHFFFAOYSA-N 1 0 394.288 3.840 20 30 GHEDRO [NH3+][C@@H](CO)Cc1cncn1-c1cccc(N=C(c2ccccc2)c2ccccc2)c1 ZINC001169076375 871165827 /nfs/dbraw/zinc/16/58/27/871165827.db2.gz QXMUCBVNXVVHJO-OAQYLSRUSA-N 1 0 396.494 3.904 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000475651054 871179720 /nfs/dbraw/zinc/17/97/20/871179720.db2.gz RRDAAOUXMLFNPA-FQEVSTJZSA-N 1 0 375.516 3.782 20 30 GHEDRO C[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000461896723 871182283 /nfs/dbraw/zinc/18/22/83/871182283.db2.gz YLXVWBMEDJKWHP-QRVBRYPASA-N 1 0 391.515 3.587 20 30 GHEDRO CC1(C)C[C@H](Nc2nc3cc(C#N)c(C#N)cc3nc2Cl)C[C@](C)(C[NH3+])C1 ZINC001169147116 871258768 /nfs/dbraw/zinc/25/87/68/871258768.db2.gz SLOUPKKAXHIKHW-XOBRGWDASA-N 1 0 382.899 3.982 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC000540456988 871347241 /nfs/dbraw/zinc/34/72/41/871347241.db2.gz TTXPHUWNZKSSTE-SFHVURJKSA-N 1 0 390.405 3.986 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169300748 871394689 /nfs/dbraw/zinc/39/46/89/871394689.db2.gz ORQIEADMXNVCKN-ICOILDSSSA-N 1 0 399.531 3.981 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670216456 871414967 /nfs/dbraw/zinc/41/49/67/871414967.db2.gz YZNGXHKFRSUUPT-INIZCTEOSA-N 1 0 389.931 3.617 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc(C#N)c1 ZINC000462032470 871512786 /nfs/dbraw/zinc/51/27/86/871512786.db2.gz QSUBIYNFZFQWGL-QGZVFWFLSA-N 1 0 379.529 3.892 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)cn2)c1 ZINC000618349640 871535311 /nfs/dbraw/zinc/53/53/11/871535311.db2.gz VSZHRXXXDAMURZ-UHFFFAOYSA-N 1 0 391.475 3.741 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2c(Cl)cccc2Cl)cc1 ZINC000552034517 871587206 /nfs/dbraw/zinc/58/72/06/871587206.db2.gz ZTMUZULDGCCTRG-OAHLLOKOSA-N 1 0 379.287 3.631 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000525859107 871589795 /nfs/dbraw/zinc/58/97/95/871589795.db2.gz YVUQUWLTDDAQBA-ULUNDTCASA-N 1 0 378.476 3.952 20 30 GHEDRO C=CCOC(=O)Nc1cc(C(=O)OCC[NH+](CC)CC)ccc1OCCC ZINC001194320261 871618212 /nfs/dbraw/zinc/61/82/12/871618212.db2.gz ZMMYYXMVMSZUIA-UHFFFAOYSA-N 1 0 378.469 3.709 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)Cc2ccccc2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000776984507 882529962 /nfs/dbraw/zinc/52/99/62/882529962.db2.gz TVIDIDSOCDRSLY-TZIWHRDSSA-N 1 0 375.516 3.712 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000540593358 871649835 /nfs/dbraw/zinc/64/98/35/871649835.db2.gz GSYSKOCXDVQIMD-YOEHRIQHSA-N 1 0 378.394 3.959 20 30 GHEDRO N#Cc1cc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)ncc1Cl ZINC001169606688 871667789 /nfs/dbraw/zinc/66/77/89/871667789.db2.gz HWSFHQVFHDFWMQ-UHFFFAOYSA-N 1 0 380.757 3.950 20 30 GHEDRO N#Cc1ccc2c(c1)ncnc2-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001169607771 871669760 /nfs/dbraw/zinc/66/97/60/871669760.db2.gz UJZWOVVQQRPHFI-UHFFFAOYSA-N 1 0 397.360 3.845 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](COc2ccccc2)c2ccccc2)cc1 ZINC000539317790 871678116 /nfs/dbraw/zinc/67/81/16/871678116.db2.gz AYMKVBZFFQWIAY-URXFXBBRSA-N 1 0 388.467 3.708 20 30 GHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000460259546 871714541 /nfs/dbraw/zinc/71/45/41/871714541.db2.gz AZKATBDQCRYPPS-QHGAOEGBSA-N 1 0 386.540 3.668 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2ccccc2CC#N)C1 ZINC000776969546 882543299 /nfs/dbraw/zinc/54/32/99/882543299.db2.gz HRYOQFFFNQCGTQ-IBGZPJMESA-N 1 0 375.516 3.843 20 30 GHEDRO N#Cc1ccc(C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)Cc2cccc(F)c2)cc1 ZINC000539368380 871803440 /nfs/dbraw/zinc/80/34/40/871803440.db2.gz PZZIUNOUBXRWRZ-ZRZAMGCNSA-N 1 0 379.479 3.563 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](COCc2ccccc2)c2ccccc2)c1 ZINC000539361979 871827994 /nfs/dbraw/zinc/82/79/94/871827994.db2.gz KAOGXVDICLADLR-XMMPIXPASA-N 1 0 399.494 3.722 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)c2cccc(C#N)c2)[C@H](C)C2CC2)c(OC)c1 ZINC001169755065 871840320 /nfs/dbraw/zinc/84/03/20/871840320.db2.gz RPTOWMNPWLKDNC-ZHRRBRCNSA-N 1 0 380.488 3.910 20 30 GHEDRO N#Cc1cncc(C[N@H+]2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 ZINC001194782229 871928160 /nfs/dbraw/zinc/92/81/60/871928160.db2.gz PDMRHBLKFPLGAA-MJGOQNOKSA-N 1 0 386.293 3.661 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000463515727 871961366 /nfs/dbraw/zinc/96/13/66/871961366.db2.gz UTPQIGUSGQROHF-UHFFFAOYSA-N 1 0 380.488 3.786 20 30 GHEDRO CC[C@H](CC#N)NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001194878644 872004753 /nfs/dbraw/zinc/00/47/53/872004753.db2.gz JOCQHGHMIFJOPE-HXUWFJFHSA-N 1 0 394.494 3.570 20 30 GHEDRO CC[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000618797726 872004926 /nfs/dbraw/zinc/00/49/26/872004926.db2.gz QMIORVUMBALZFJ-GMAHTHKFSA-N 1 0 388.515 3.682 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000618803777 872012058 /nfs/dbraw/zinc/01/20/58/872012058.db2.gz IRYUWWYGKDNQBG-IFXJQAMLSA-N 1 0 379.460 3.570 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)CC2)CC1 ZINC000618825020 872015015 /nfs/dbraw/zinc/01/50/15/872015015.db2.gz MPURNQQCGYLXAI-QETWGEEDSA-N 1 0 380.536 3.888 20 30 GHEDRO CCCCCCCCCCOC(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001194928658 872035838 /nfs/dbraw/zinc/03/58/38/872035838.db2.gz AIOJEKCJXVRIPM-WGSAOQKQSA-N 1 0 383.577 3.842 20 30 GHEDRO CC(C)Oc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccccc2)cc1 ZINC000101534960 872070056 /nfs/dbraw/zinc/07/00/56/872070056.db2.gz HTRRCEHFRPROJZ-UHFFFAOYSA-O 1 0 397.442 3.852 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCC(F)(F)F)[n+]2cccc(C)c2)c1 ZINC000101534963 872070514 /nfs/dbraw/zinc/07/05/14/872070514.db2.gz IBNCTQKGFUEUOL-UHFFFAOYSA-O 1 0 381.443 3.990 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NCC(F)(F)F)c1 ZINC000101535149 872072410 /nfs/dbraw/zinc/07/24/10/872072410.db2.gz NRYWPFMXLXVWDZ-UHFFFAOYSA-O 1 0 389.369 3.651 20 30 GHEDRO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618983917 872209055 /nfs/dbraw/zinc/20/90/55/872209055.db2.gz UQFJNDVKZWLKTC-HXUWFJFHSA-N 1 0 391.475 3.842 20 30 GHEDRO CC1(C)C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618983916 872209441 /nfs/dbraw/zinc/20/94/41/872209441.db2.gz UQFJNDVKZWLKTC-FQEVSTJZSA-N 1 0 391.475 3.842 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000595455556 872317199 /nfs/dbraw/zinc/31/71/99/872317199.db2.gz AWIPXXJILRZTLG-JOCHJYFZSA-N 1 0 388.515 3.660 20 30 GHEDRO C[C@@H]1CC2(C[N@@H+]1C[C@H](O)c1cccc(C#N)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001195375755 872377446 /nfs/dbraw/zinc/37/74/46/872377446.db2.gz CHEXDXBMXGECIA-XLIONFOSSA-N 1 0 399.535 3.703 20 30 GHEDRO CC(C)(C)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000447839504 872384114 /nfs/dbraw/zinc/38/41/14/872384114.db2.gz KSCPROBLZVZHBA-SFHVURJKSA-N 1 0 389.565 3.964 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000447853098 872414430 /nfs/dbraw/zinc/41/44/30/872414430.db2.gz DHPWPNPLZCBXBP-FGZHOGPDSA-N 1 0 375.472 3.899 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000921124743 882617546 /nfs/dbraw/zinc/61/75/46/882617546.db2.gz MWQITSYHICXHBD-AWEZNQCLSA-N 1 0 386.359 3.729 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000182507859 872463787 /nfs/dbraw/zinc/46/37/87/872463787.db2.gz TVMWXQLUBLGCNZ-UHFFFAOYSA-N 1 0 388.256 3.889 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CNc3ccnn3C2)cc1 ZINC000619265107 872493558 /nfs/dbraw/zinc/49/35/58/872493558.db2.gz OZUBGPFJNQVKJI-HXUWFJFHSA-N 1 0 375.451 3.638 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2cccc(F)c2)N2CCOCC2)c(O)c1 ZINC000921138685 882624725 /nfs/dbraw/zinc/62/47/25/882624725.db2.gz YRAIINXIDOHTJV-NJRDNMGOSA-N 1 0 399.510 3.870 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)OC4(CCC4)C3)sc2C1 ZINC001195758585 872616618 /nfs/dbraw/zinc/61/66/18/872616618.db2.gz UDYMGZURUYSYSU-CABCVRRESA-N 1 0 387.549 3.717 20 30 GHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)COc3ccc(C#N)cc3)oc21 ZINC000182657065 872633097 /nfs/dbraw/zinc/63/30/97/872633097.db2.gz XMKZBTOCOVRTPE-QAPCUYQASA-N 1 0 380.444 3.794 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000619476861 872672798 /nfs/dbraw/zinc/67/27/98/872672798.db2.gz VLOWAOMRGARONA-GOSISDBHSA-N 1 0 397.544 3.606 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448019678 872675410 /nfs/dbraw/zinc/67/54/10/872675410.db2.gz XPPWELYRTMHMCQ-FQEVSTJZSA-N 1 0 398.551 3.743 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619499456 872701169 /nfs/dbraw/zinc/70/11/69/872701169.db2.gz UXAVPCXFSJCDBW-INIZCTEOSA-N 1 0 378.426 3.741 20 30 GHEDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000619567073 872746020 /nfs/dbraw/zinc/74/60/20/872746020.db2.gz MSDZEOTYVVHXAB-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1Cl ZINC000619569466 872747159 /nfs/dbraw/zinc/74/71/59/872747159.db2.gz KWBSCMZYXKFDDD-QRQLOZEOSA-N 1 0 375.900 3.556 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000541087537 872895823 /nfs/dbraw/zinc/89/58/23/872895823.db2.gz VAEJUUPHNFAUJC-HOIFWPIMSA-N 1 0 377.488 3.560 20 30 GHEDRO Cc1cc(F)ccc1NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001196146226 872896994 /nfs/dbraw/zinc/89/69/94/872896994.db2.gz QARWYJUYGMXAEV-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619759047 872971895 /nfs/dbraw/zinc/97/18/95/872971895.db2.gz HTMSUJQVVDLIRO-IERDGZPVSA-N 1 0 396.922 3.921 20 30 GHEDRO C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619760515 872972483 /nfs/dbraw/zinc/97/24/83/872972483.db2.gz UZJKIINAUYCKNR-OXQOHEQNSA-N 1 0 396.922 3.921 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000152936081 872991643 /nfs/dbraw/zinc/99/16/43/872991643.db2.gz AABLEOMQIYKAJH-KRWDZBQOSA-N 1 0 377.960 3.707 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527350004 873026274 /nfs/dbraw/zinc/02/62/74/873026274.db2.gz HILPYQIXOWPLPG-DVVHHAQGSA-N 1 0 390.531 3.753 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1 ZINC001196320590 873030662 /nfs/dbraw/zinc/03/06/62/873030662.db2.gz PCUAGCHGZIHABR-KRWDZBQOSA-N 1 0 377.488 3.925 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2oc3c(cccc3Br)c2C)CC1 ZINC000541152658 873033808 /nfs/dbraw/zinc/03/38/08/873033808.db2.gz KOMSHRBVKGRPGA-UHFFFAOYSA-N 1 0 377.282 3.884 20 30 GHEDRO N#CCNC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000182975362 873052486 /nfs/dbraw/zinc/05/24/86/873052486.db2.gz NVAUXFOGVDHXGE-QGZVFWFLSA-N 1 0 380.250 3.646 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000619825866 873058554 /nfs/dbraw/zinc/05/85/54/873058554.db2.gz CBFCGNUJTSQPQF-GOSISDBHSA-N 1 0 391.302 3.967 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000619826561 873058982 /nfs/dbraw/zinc/05/89/82/873058982.db2.gz BLDCKGRFWBAQSZ-GOSISDBHSA-N 1 0 388.943 3.865 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000619809732 873062285 /nfs/dbraw/zinc/06/22/85/873062285.db2.gz HLQXIZHYWYOXSI-RBBKRZOGSA-N 1 0 398.457 3.589 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000153018268 873103487 /nfs/dbraw/zinc/10/34/87/873103487.db2.gz MUWLUKMLLIZMNP-QGZVFWFLSA-N 1 0 377.960 3.707 20 30 GHEDRO CC[C@@H](CO)[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC001196420844 873104893 /nfs/dbraw/zinc/10/48/93/873104893.db2.gz URLLWNAUFMFLLU-ORFBVSJDSA-N 1 0 399.579 3.852 20 30 GHEDRO Cc1cccc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC000443484241 873114742 /nfs/dbraw/zinc/11/47/42/873114742.db2.gz CUDHIYRQPYJNFU-SFHVURJKSA-N 1 0 389.565 3.532 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2cc(C#N)cc(Cl)n2)c1C ZINC000768377307 873280005 /nfs/dbraw/zinc/28/00/05/873280005.db2.gz YTVCZKFOUYJUPN-GOSISDBHSA-N 1 0 384.915 3.955 20 30 GHEDRO C[C@@H](C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000464186680 873373593 /nfs/dbraw/zinc/37/35/93/873373593.db2.gz PTXSYAASRITAQC-GCJKJVERSA-N 1 0 399.498 3.944 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N(CC[NH3+])C34CC5CC(CC(C5)C3)C4)no2)c1 ZINC001196774259 873381253 /nfs/dbraw/zinc/38/12/53/873381253.db2.gz GIGLQVJPQAVRCJ-UHFFFAOYSA-N 1 0 390.487 3.583 20 30 GHEDRO C#CCN(C(=O)NCc1cc(-c2ccc(OC)cc2)cs1)C1CC[NH+](C)CC1 ZINC000921237455 882723178 /nfs/dbraw/zinc/72/31/78/882723178.db2.gz TYONNCRCSNCBGJ-UHFFFAOYSA-N 1 0 397.544 3.663 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000858016463 882726859 /nfs/dbraw/zinc/72/68/59/882726859.db2.gz MBAPUDJHJFSDKR-JOCHJYFZSA-N 1 0 399.498 3.884 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)s2)cn1 ZINC000527811809 873599933 /nfs/dbraw/zinc/59/99/33/873599933.db2.gz QDEGZQKYDGYXPR-UHFFFAOYSA-N 1 0 378.501 3.816 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)CC1 ZINC000769020886 873745003 /nfs/dbraw/zinc/74/50/03/873745003.db2.gz HSSNDWMUPFFCDO-UHFFFAOYSA-N 1 0 398.938 3.611 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000769026842 873750661 /nfs/dbraw/zinc/75/06/61/873750661.db2.gz UWKALGFYLLIFIR-UHFFFAOYSA-N 1 0 390.527 3.660 20 30 GHEDRO Cc1cccc(N(C(=O)c2ccc(-c3ccc(C#N)cc3)o2)C2CC[NH2+]CC2)n1 ZINC001197392996 873763765 /nfs/dbraw/zinc/76/37/65/873763765.db2.gz FNLKNCZZAWYNLO-UHFFFAOYSA-N 1 0 386.455 3.921 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@]4(C#N)C[C@@H]4C)cc3)CC2)c1 ZINC000448693340 873783096 /nfs/dbraw/zinc/78/30/96/873783096.db2.gz BTDQNKUIOMYSPM-YADARESESA-N 1 0 388.515 3.806 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000448812934 873982287 /nfs/dbraw/zinc/98/22/87/873982287.db2.gz QLYVFJPHVLTITI-UHFFFAOYSA-N 1 0 390.527 3.843 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CCC(S(=O)(=O)NC)CC2)cc1 ZINC000769390175 874016386 /nfs/dbraw/zinc/01/63/86/874016386.db2.gz VMEVJGYSCHOGBP-UHFFFAOYSA-N 1 0 382.570 3.549 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc(OC)c1O ZINC000769425373 874048742 /nfs/dbraw/zinc/04/87/42/874048742.db2.gz RFLGOSCFOGAPNX-MAUKXSAKSA-N 1 0 390.524 3.864 20 30 GHEDRO COC(=O)C[C@]1([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)CCCOC1 ZINC000769787856 874289482 /nfs/dbraw/zinc/28/94/82/874289482.db2.gz CMDKRWFWVASBBU-HSZRJFAPSA-N 1 0 392.499 3.588 20 30 GHEDRO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]NCc1ccc(C#N)cc1 ZINC000769815704 874305860 /nfs/dbraw/zinc/30/58/60/874305860.db2.gz OJTHXYQVTMCTPY-UHFFFAOYSA-N 1 0 384.487 3.776 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H]3CCOC34CCCC4)sc2C1 ZINC001198507214 874470016 /nfs/dbraw/zinc/47/00/16/874470016.db2.gz IIOZSAQLSHMDHO-KDOFPFPSSA-N 1 0 387.549 3.764 20 30 GHEDRO Cc1ccc(CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]2CCCO2)cc1 ZINC000464780469 874479193 /nfs/dbraw/zinc/47/91/93/874479193.db2.gz SWYGACPPHTXIOZ-QFIPXVFZSA-N 1 0 397.563 3.703 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1C#N ZINC000464877349 874703086 /nfs/dbraw/zinc/70/30/86/874703086.db2.gz JDVCROKEFUCSJX-KDURUIRLSA-N 1 0 394.494 3.834 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NCC(F)(F)F ZINC000542005050 874749494 /nfs/dbraw/zinc/74/94/94/874749494.db2.gz NLEFJTDYQLBYSI-KBPBESRZSA-N 1 0 375.394 3.943 20 30 GHEDRO CC(C)Oc1cccc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001199046637 874774037 /nfs/dbraw/zinc/77/40/37/874774037.db2.gz NHNRNKIROBDUGG-MXVIHJGJSA-N 1 0 392.503 3.653 20 30 GHEDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000449408389 874828185 /nfs/dbraw/zinc/82/81/85/874828185.db2.gz JOTKZLDGNSDPFG-UHFFFAOYSA-N 1 0 396.491 3.579 20 30 GHEDRO C=C(C)COc1cc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)ccc1OC ZINC000449408381 874828437 /nfs/dbraw/zinc/82/84/37/874828437.db2.gz JLAOGHSWDGKQEO-UHFFFAOYSA-N 1 0 380.488 3.914 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[NH+]1CCC(C)CC1 ZINC001199244531 874871375 /nfs/dbraw/zinc/87/13/75/874871375.db2.gz CKEKHWHOZKPKHX-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000770808329 874878137 /nfs/dbraw/zinc/87/81/37/874878137.db2.gz RPIUWUWXIIRLQF-OAHLLOKOSA-N 1 0 388.489 3.792 20 30 GHEDRO CCC(CC)[C@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC000761654773 882887214 /nfs/dbraw/zinc/88/72/14/882887214.db2.gz XCAVBWQYTXQLPJ-VXKWHMMOSA-N 1 0 398.551 3.542 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000271771050 875136812 /nfs/dbraw/zinc/13/68/12/875136812.db2.gz FEUWIYJTKKBOHR-MGYFDLHMSA-N 1 0 389.908 3.627 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cn1 ZINC000528848978 875152465 /nfs/dbraw/zinc/15/24/65/875152465.db2.gz DONHDQKRMPJJPW-BLVKFPJESA-N 1 0 396.516 3.580 20 30 GHEDRO C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134461482 882900322 /nfs/dbraw/zinc/90/03/22/882900322.db2.gz SDMSCGWGSSVHBG-ZDUSSCGKSA-N 1 0 375.460 3.766 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001199951926 875268672 /nfs/dbraw/zinc/26/86/72/875268672.db2.gz MPTLLQPFPXHCIN-WMZOPIPTSA-N 1 0 386.540 3.749 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)C(C)(C)O)cc1OC ZINC000449717940 875286353 /nfs/dbraw/zinc/28/63/53/875286353.db2.gz FLCXCVMELAHVND-UHFFFAOYSA-N 1 0 386.330 3.909 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccccc2N2CCOCC2)cc(OC)c1OC ZINC000105477984 875302630 /nfs/dbraw/zinc/30/26/30/875302630.db2.gz STBMUOROUDDKQA-UHFFFAOYSA-N 1 0 382.504 3.559 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1c1ccccc1 ZINC000449752969 875349515 /nfs/dbraw/zinc/34/95/15/875349515.db2.gz HNSZTWIFNKCFSI-FCHUYYIVSA-N 1 0 378.472 3.758 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000609331159 882927426 /nfs/dbraw/zinc/92/74/26/882927426.db2.gz IDBFFJMUMXYLNM-JOCHJYFZSA-N 1 0 395.503 3.931 20 30 GHEDRO C=CC[N@H+](CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1)C(C)C ZINC000771790816 875462071 /nfs/dbraw/zinc/46/20/71/875462071.db2.gz HITOBWHXEVZSQS-UHFFFAOYSA-N 1 0 388.899 3.777 20 30 GHEDRO CN(C)c1cc[nH+]cc1C=NN1C(=S)N=NC1c1cc(Cl)ccc1Cl ZINC000776179223 875672873 /nfs/dbraw/zinc/67/28/73/875672873.db2.gz OONUBNHTSHKHSS-UHFFFAOYSA-N 1 0 393.303 3.884 20 30 GHEDRO Cn1c(C#N)ccc1C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000449964954 875711122 /nfs/dbraw/zinc/71/11/22/875711122.db2.gz BLGCSNNNBNUNNJ-UHFFFAOYSA-N 1 0 376.504 3.558 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](C/C(Br)=C/c3ccccc3)C2)C1=O ZINC001201450924 875712475 /nfs/dbraw/zinc/71/24/75/875712475.db2.gz BPNZSEITVGQRNM-BXWQOUMASA-N 1 0 389.337 3.923 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000772226894 875785299 /nfs/dbraw/zinc/78/52/99/875785299.db2.gz RLWVTXBQXIWJMF-NLFFAJNJSA-N 1 0 386.539 3.937 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001201875128 875918952 /nfs/dbraw/zinc/91/89/52/875918952.db2.gz QGEXWGQYLVXXGT-JOCHJYFZSA-N 1 0 379.589 3.530 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)c2cccc(C#N)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000450107417 875971677 /nfs/dbraw/zinc/97/16/77/875971677.db2.gz QVKJEJPWVGIOPH-WMLDXEAASA-N 1 0 398.304 3.714 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000271913537 876027789 /nfs/dbraw/zinc/02/77/89/876027789.db2.gz YKHHXXPAQKJKSH-CBZJRKILSA-N 1 0 381.545 3.611 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000450193717 876058841 /nfs/dbraw/zinc/05/88/41/876058841.db2.gz OGJYOFBTBRBQMC-OAHLLOKOSA-N 1 0 378.314 3.561 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cccc(C)c2C)c1 ZINC000151911378 876103511 /nfs/dbraw/zinc/10/35/11/876103511.db2.gz DUEAQBMBYGMNPY-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO CC[N@H+](CCC(=O)NCc1ccc(OC)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000450281306 876214629 /nfs/dbraw/zinc/21/46/29/876214629.db2.gz BWBBRVYZHQTHTQ-QGZVFWFLSA-N 1 0 395.503 3.665 20 30 GHEDRO N#C[C@@]1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CCCC2 ZINC000450299342 876220761 /nfs/dbraw/zinc/22/07/61/876220761.db2.gz OOXJVMAUZQXJEM-XMMPIXPASA-N 1 0 377.532 3.975 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000450317297 876249999 /nfs/dbraw/zinc/24/99/99/876249999.db2.gz SNUBPHXQYYTWFU-HNNXBMFYSA-N 1 0 377.330 3.808 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000120901263 876367660 /nfs/dbraw/zinc/36/76/60/876367660.db2.gz YCIDKXDWYOAPJR-UHFFFAOYSA-N 1 0 375.476 3.791 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000609334987 883029044 /nfs/dbraw/zinc/02/90/44/883029044.db2.gz OCXHDBGMXQUFLL-UHFFFAOYSA-N 1 0 389.478 3.756 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000776430888 876470693 /nfs/dbraw/zinc/47/06/93/876470693.db2.gz NKSROTIURAANGA-SDNWHVSQSA-N 1 0 391.515 3.951 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1 ZINC000850349093 876840310 /nfs/dbraw/zinc/84/03/10/876840310.db2.gz ZXSPNOJBXGMQJJ-HHHXNRCGSA-N 1 0 396.434 3.538 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(N2CCNC2=O)cc1 ZINC000786800295 876961453 /nfs/dbraw/zinc/96/14/53/876961453.db2.gz JOSJZCYDRKOLAZ-MRXNPFEDSA-N 1 0 380.517 3.672 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1OC ZINC000850715493 877120723 /nfs/dbraw/zinc/12/07/23/877120723.db2.gz JDCDTYODKDJUFZ-QUJGQYFQSA-N 1 0 384.520 3.654 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000850721401 877125865 /nfs/dbraw/zinc/12/58/65/877125865.db2.gz QJDHLGRXLUGVBL-XOYLTFLUSA-N 1 0 384.520 3.511 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850762892 877152012 /nfs/dbraw/zinc/15/20/12/877152012.db2.gz QLDPCYMQMQWCJT-OAQYLSRUSA-N 1 0 381.476 3.889 20 30 GHEDRO Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000609977129 877239219 /nfs/dbraw/zinc/23/92/19/877239219.db2.gz JNSAMQYRPVSUFT-UHFFFAOYSA-N 1 0 388.471 3.558 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000174793847 877253158 /nfs/dbraw/zinc/25/31/58/877253158.db2.gz VVQOQQQNXYMKGI-IIBYNOLFSA-N 1 0 389.565 3.798 20 30 GHEDRO CCC1(COC(=O)CC2(C#N)CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000850938961 877288150 /nfs/dbraw/zinc/28/81/50/877288150.db2.gz KDZVKBHZHPIKOW-UHFFFAOYSA-N 1 0 384.520 3.932 20 30 GHEDRO COC(=O)C1(c2ccccc2)CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000477265849 877315892 /nfs/dbraw/zinc/31/58/92/877315892.db2.gz SXPINFIFUZZPJI-UHFFFAOYSA-N 1 0 378.472 3.534 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000530231667 877333577 /nfs/dbraw/zinc/33/35/77/877333577.db2.gz SMHUFZHMAGKZMM-VQIMIIECSA-N 1 0 388.414 3.567 20 30 GHEDRO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCCOc2cccc(C#N)c2)cn1 ZINC000477271544 877345001 /nfs/dbraw/zinc/34/50/01/877345001.db2.gz CYGILZQDDAISNQ-QFIPXVFZSA-N 1 0 378.451 3.921 20 30 GHEDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093360089 912223883 /nfs/dbraw/zinc/22/38/83/912223883.db2.gz WNMJCASCSIJNGW-KRWDZBQOSA-N 1 0 397.523 3.809 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551553146 877420861 /nfs/dbraw/zinc/42/08/61/877420861.db2.gz VJSHIQRRAHYCCV-CTNGQTDRSA-N 1 0 397.885 3.924 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](CC)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000787547920 877468489 /nfs/dbraw/zinc/46/84/89/877468489.db2.gz JIXRZIWRTKCAAG-MRXNPFEDSA-N 1 0 397.346 3.954 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1Cl ZINC000428717573 877641119 /nfs/dbraw/zinc/64/11/19/877641119.db2.gz KONIMZSKACANIC-FUHWJXTLSA-N 1 0 381.854 3.872 20 30 GHEDRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)on1 ZINC000067965733 877713871 /nfs/dbraw/zinc/71/38/71/877713871.db2.gz QLPVBSDIGQNEAW-INIZCTEOSA-N 1 0 384.505 3.961 20 30 GHEDRO COc1ncc(Br)cc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000851899908 877967498 /nfs/dbraw/zinc/96/74/98/877967498.db2.gz JZEHPERXARIAQB-GFCCVEGCSA-N 1 0 376.254 3.606 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1C#N ZINC000451476922 877989557 /nfs/dbraw/zinc/98/95/57/877989557.db2.gz GVNMHPDAMKMLAB-WMQCIHAUSA-N 1 0 398.551 3.823 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(C#N)cc2F)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237770651 877994024 /nfs/dbraw/zinc/99/40/24/877994024.db2.gz WMABYOAPHUZHJD-UHFFFAOYSA-N 1 0 392.434 3.549 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852191591 878129860 /nfs/dbraw/zinc/12/98/60/878129860.db2.gz HTKACUFLWVWCTQ-APWZRJJASA-N 1 0 385.508 3.720 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788596282 878193754 /nfs/dbraw/zinc/19/37/54/878193754.db2.gz YJNMETGHVPZVNH-VQTJNVASSA-N 1 0 377.573 3.795 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852474245 878356912 /nfs/dbraw/zinc/35/69/12/878356912.db2.gz VGSNOGYQFLDILZ-MSOLQXFVSA-N 1 0 379.426 3.714 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn(-c2ccccc2C)c1C)C(C)C ZINC000493097374 878368460 /nfs/dbraw/zinc/36/84/60/878368460.db2.gz MSKIXHIGXVYTAP-JOCHJYFZSA-N 1 0 380.536 3.918 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3cccnc3)CC2)c(OC)c1 ZINC000537840220 878369689 /nfs/dbraw/zinc/36/96/89/878369689.db2.gz BLSRNRYGFSZFTF-QFIPXVFZSA-N 1 0 396.531 3.513 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCCC[C@H]12 ZINC000852494630 878374983 /nfs/dbraw/zinc/37/49/83/878374983.db2.gz DWXJWHFFWXKLBD-KZNAEPCWSA-N 1 0 376.884 3.796 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000180036211 878415903 /nfs/dbraw/zinc/41/59/03/878415903.db2.gz MJQSYOKAGMZRTD-NSHDSACASA-N 1 0 394.338 3.834 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852595993 878449632 /nfs/dbraw/zinc/44/96/32/878449632.db2.gz KDPGDPGLYFDQSG-VWPQPMDRSA-N 1 0 383.536 3.911 20 30 GHEDRO C#CC[N@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001170095434 878511787 /nfs/dbraw/zinc/51/17/87/878511787.db2.gz RLPUVMKDZDKSHO-OAQYLSRUSA-N 1 0 398.547 3.928 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](O)CC(C)(C)C3)sc2C1 ZINC000451817208 878521900 /nfs/dbraw/zinc/52/19/00/878521900.db2.gz YVXGTKXOKQDPII-GJZGRUSLSA-N 1 0 389.565 3.556 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728662 878554296 /nfs/dbraw/zinc/55/42/96/878554296.db2.gz FQYLZUYUQUJEKV-RTWAWAEBSA-N 1 0 385.895 3.888 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732508 878563353 /nfs/dbraw/zinc/56/33/53/878563353.db2.gz UUKARXDAJTUFRQ-YADHBBJMSA-N 1 0 399.922 3.934 20 30 GHEDRO C=C(C)Cn1c(C)nnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000460793393 878573591 /nfs/dbraw/zinc/57/35/91/878573591.db2.gz UPIZJXMZWVPDSW-UHFFFAOYSA-N 1 0 393.457 3.894 20 30 GHEDRO C#CCC[N@@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)CCOC ZINC000852748606 878577025 /nfs/dbraw/zinc/57/70/25/878577025.db2.gz DVAWAKBJNBZWHW-UHFFFAOYSA-N 1 0 395.341 3.756 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)C(=O)N(CCC#N)c1ccccc1 ZINC000852783260 878598890 /nfs/dbraw/zinc/59/88/90/878598890.db2.gz XVNDPXZOUZKRKB-ROUUACIJSA-N 1 0 377.488 3.998 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460809106 878601223 /nfs/dbraw/zinc/60/12/23/878601223.db2.gz LISFHMPEXSYEOD-UHFFFAOYSA-N 1 0 383.540 3.687 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451887320 878622786 /nfs/dbraw/zinc/62/27/86/878622786.db2.gz FRXJEKYJVZENRP-SFHVURJKSA-N 1 0 376.589 3.550 20 30 GHEDRO Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)C#CC3CC[NH2+]CC3)cc2)cc1 ZINC000852832358 878626303 /nfs/dbraw/zinc/62/63/03/878626303.db2.gz LAIVFRQNRPMONH-HXUWFJFHSA-N 1 0 390.527 3.624 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852834956 878626447 /nfs/dbraw/zinc/62/64/47/878626447.db2.gz FMMCUIUOKLILDD-CYBMUJFWSA-N 1 0 387.936 3.952 20 30 GHEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COCc1ccccc1 ZINC000177283852 878632012 /nfs/dbraw/zinc/63/20/12/878632012.db2.gz VKSUWEXZYQDWAG-FQEVSTJZSA-N 1 0 377.406 3.566 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918457 878649286 /nfs/dbraw/zinc/64/92/86/878649286.db2.gz YUSLKLJDVDQSLF-IBGZPJMESA-N 1 0 395.286 3.750 20 30 GHEDRO CCCCCCCCCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852931110 878659973 /nfs/dbraw/zinc/65/99/73/878659973.db2.gz TZWYYHGOSCQGBX-LJQANCHMSA-N 1 0 389.588 3.666 20 30 GHEDRO N#Cc1cccc(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000530913473 878763590 /nfs/dbraw/zinc/76/35/90/878763590.db2.gz NPDAWBSRNQKKIX-UHFFFAOYSA-N 1 0 381.907 3.879 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C)cc1 ZINC000177847629 878884959 /nfs/dbraw/zinc/88/49/59/878884959.db2.gz QQRPKHDVMKYONQ-LJQANCHMSA-N 1 0 394.581 3.524 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000177914066 878913572 /nfs/dbraw/zinc/91/35/72/878913572.db2.gz UCDQBKJVTYULKF-KRWDZBQOSA-N 1 0 376.566 3.704 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(C#N)ccc1Cl ZINC000285706060 912400449 /nfs/dbraw/zinc/40/04/49/912400449.db2.gz DJRXZKQBBHDSOE-UHFFFAOYSA-N 1 0 382.895 3.985 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)CCCCC1 ZINC000538167363 878967759 /nfs/dbraw/zinc/96/77/59/878967759.db2.gz CUIBSLDKFLOTSD-FQEVSTJZSA-N 1 0 395.478 3.878 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCC(=O)NCc2ccccc2)c1 ZINC000238048293 878981346 /nfs/dbraw/zinc/98/13/46/878981346.db2.gz RWPJUQFWHFBWHB-UHFFFAOYSA-N 1 0 399.494 3.933 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000538235260 879095091 /nfs/dbraw/zinc/09/50/91/879095091.db2.gz IUPIKWNIUCPKHK-XMSQKQJNSA-N 1 0 377.488 3.691 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@@H](C3CCCCC3)C2)nc1-c1cnccn1 ZINC000853555486 879112232 /nfs/dbraw/zinc/11/22/32/879112232.db2.gz XCKKQHFGRZZVLE-QGZVFWFLSA-N 1 0 384.553 3.917 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000538276577 879170655 /nfs/dbraw/zinc/17/06/55/879170655.db2.gz JKZNXPSGNCIERY-NRFANRHFSA-N 1 0 381.524 3.661 20 30 GHEDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc(-c3cccc(C#N)c3)no1)CC2 ZINC000597703745 879231097 /nfs/dbraw/zinc/23/10/97/879231097.db2.gz IYKGDQOOXQICCF-UHFFFAOYSA-N 1 0 392.503 3.940 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000795694696 912433292 /nfs/dbraw/zinc/43/32/92/912433292.db2.gz QFQVCTJSFDWVFZ-XPWALMASSA-N 1 0 399.498 3.587 20 30 GHEDRO CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285803465 912446794 /nfs/dbraw/zinc/44/67/94/912446794.db2.gz UPEAVLQBLDNUHK-JWTNVVGKSA-N 1 0 395.532 3.694 20 30 GHEDRO NC(=O)N=C1C=CC(C(=O)C(C(=S)Nc2ccsc2)[n+]2ccccc2)=CC1 ZINC000790117816 879451433 /nfs/dbraw/zinc/45/14/33/879451433.db2.gz LZZMKXHJDYVKFE-UHFFFAOYSA-O 1 0 397.505 3.661 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452456604 879471147 /nfs/dbraw/zinc/47/11/47/879471147.db2.gz LPZKIRNJZFVHIN-JOCHJYFZSA-N 1 0 390.531 3.958 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000493506104 879510444 /nfs/dbraw/zinc/51/04/44/879510444.db2.gz DBYOLCKYNZIONT-NQIIRXRSSA-N 1 0 375.472 3.825 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccnn2-c2ccccc2)ccc1OC ZINC000790471616 879743441 /nfs/dbraw/zinc/74/34/41/879743441.db2.gz UGCITPGOILMDKP-FQEVSTJZSA-N 1 0 376.460 3.852 20 30 GHEDRO C=CCCC[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000790483940 879757279 /nfs/dbraw/zinc/75/72/79/879757279.db2.gz OAUFRYXVMNCWNC-UHFFFAOYSA-N 1 0 392.384 3.642 20 30 GHEDRO C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790535202 879801808 /nfs/dbraw/zinc/80/18/08/879801808.db2.gz YJVTTZZBWSBDRV-AVRDEDQJSA-N 1 0 393.572 3.569 20 30 GHEDRO C=C(CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000461415185 879811640 /nfs/dbraw/zinc/81/16/40/879811640.db2.gz DUPYWXDYZBWAIW-PKTZIBPZSA-N 1 0 375.516 3.863 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461442271 879822707 /nfs/dbraw/zinc/82/27/07/879822707.db2.gz FKOKJVKBWXHUGA-RBUKOAKNSA-N 1 0 379.891 3.806 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(CC#N)cc3Cl)cc2)CC1 ZINC000452642664 879835474 /nfs/dbraw/zinc/83/54/74/879835474.db2.gz ICBZJBAQKGBCPZ-UHFFFAOYSA-N 1 0 382.895 3.800 20 30 GHEDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000139945046 879843354 /nfs/dbraw/zinc/84/33/54/879843354.db2.gz DRABEVVHBZSBSX-GOSISDBHSA-N 1 0 381.524 3.541 20 30 GHEDRO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461456998 879868329 /nfs/dbraw/zinc/86/83/29/879868329.db2.gz OWUDXQHIWVDLOU-VXKWHMMOSA-N 1 0 376.500 3.846 20 30 GHEDRO N#Cc1cc(NCc2ccccc2C[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000461463835 879879742 /nfs/dbraw/zinc/87/97/42/879879742.db2.gz OGWSKJPXYVPJKK-UHFFFAOYSA-N 1 0 387.443 3.644 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccc4cc(Br)ccc4c3)C2)C1=O ZINC001275170586 912509491 /nfs/dbraw/zinc/50/94/91/912509491.db2.gz XRCHUWISGHPYCV-OAQYLSRUSA-N 1 0 397.316 3.660 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1CC#N ZINC000609168079 879964014 /nfs/dbraw/zinc/96/40/14/879964014.db2.gz WXQLOYXTFUFENY-UHFFFAOYSA-N 1 0 388.515 3.801 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000466811079 912545446 /nfs/dbraw/zinc/54/54/46/912545446.db2.gz DJOYJHFUGPHNGI-XXBNENTESA-N 1 0 390.531 3.795 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001183454553 912548837 /nfs/dbraw/zinc/54/88/37/912548837.db2.gz LUIBSKVSJZITPB-FZKQIMNGSA-N 1 0 383.879 3.694 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000453410461 880874651 /nfs/dbraw/zinc/87/46/51/880874651.db2.gz BDENXQHRQMRZRH-HKUYNNGSSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCn1c(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453439573 880899758 /nfs/dbraw/zinc/89/97/58/880899758.db2.gz LTKQIULKGBFKGL-NFBKMPQASA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c(N2CCC[N@@H+](C(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000453444734 880909872 /nfs/dbraw/zinc/90/98/72/880909872.db2.gz NLYMXZIAQLMFGI-UHFFFAOYSA-N 1 0 391.466 3.513 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000453424192 880923395 /nfs/dbraw/zinc/92/33/95/880923395.db2.gz HTHZTCFLVUKVSM-GOSISDBHSA-N 1 0 379.552 3.674 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000453424919 880925634 /nfs/dbraw/zinc/92/56/34/880925634.db2.gz LDHTXWMGHKOPOJ-IBGZPJMESA-N 1 0 395.551 3.662 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(O)c3Br)CC2)C1=O ZINC001275208215 912625603 /nfs/dbraw/zinc/62/56/03/912625603.db2.gz DTGKLGOVJYSCLZ-IBGZPJMESA-N 1 0 393.325 3.545 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453459986 880960479 /nfs/dbraw/zinc/96/04/79/880960479.db2.gz DEBUUJIUBKTATP-NHCUHLMSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000453463803 880965309 /nfs/dbraw/zinc/96/53/09/880965309.db2.gz JSGVWYFPVGBIQJ-XEYPJELSSA-N 1 0 385.556 3.547 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000113974281 881020721 /nfs/dbraw/zinc/02/07/21/881020721.db2.gz LDMOIHUHXMNQBJ-RBBKRZOGSA-N 1 0 394.519 3.778 20 30 GHEDRO COc1ccc(C[NH2+]CCc2nn(C)c3ccccc23)cc1OCCCC#N ZINC000187388308 881175544 /nfs/dbraw/zinc/17/55/44/881175544.db2.gz SXQQNCVVTAMAMV-UHFFFAOYSA-N 1 0 378.476 3.597 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119893222 881203774 /nfs/dbraw/zinc/20/37/74/881203774.db2.gz YDQDKWPYPSFFAH-PBHICJAKSA-N 1 0 375.538 3.813 20 30 GHEDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1Cl ZINC000428535781 883126676 /nfs/dbraw/zinc/12/66/76/883126676.db2.gz HULGZVYTGORLKK-UHFFFAOYSA-N 1 0 392.908 3.716 20 30 GHEDRO N#CCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000858556031 883194532 /nfs/dbraw/zinc/19/45/32/883194532.db2.gz FOCHXUFPZUTUJM-NRFANRHFSA-N 1 0 375.472 3.830 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000609520711 883296807 /nfs/dbraw/zinc/29/68/07/883296807.db2.gz YKCJBNZDYVJTGJ-UHFFFAOYSA-N 1 0 392.503 3.940 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000609545908 883338054 /nfs/dbraw/zinc/33/80/54/883338054.db2.gz WBMQTQHOPQLGPY-QGZVFWFLSA-N 1 0 385.533 3.746 20 30 GHEDRO CC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000858775642 883349367 /nfs/dbraw/zinc/34/93/67/883349367.db2.gz IATFPGLAKRDNSM-QGZVFWFLSA-N 1 0 380.330 3.637 20 30 GHEDRO CCC(CC)(CNC(=O)CNc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000609549905 883362328 /nfs/dbraw/zinc/36/23/28/883362328.db2.gz PZGQPNTUOPWRRS-SFHVURJKSA-N 1 0 378.520 3.996 20 30 GHEDRO N#CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000858920608 883461035 /nfs/dbraw/zinc/46/10/35/883461035.db2.gz IKFMMIYSILELGF-WOJBJXKFSA-N 1 0 379.529 3.726 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609639824 883467442 /nfs/dbraw/zinc/46/74/42/883467442.db2.gz FZZOVYBWYHGABN-JOCHJYFZSA-N 1 0 376.504 3.927 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000193769715 883484502 /nfs/dbraw/zinc/48/45/02/883484502.db2.gz SPGYLIKHOIPCJW-UHFFFAOYSA-N 1 0 392.503 3.520 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000805014171 883532495 /nfs/dbraw/zinc/53/24/95/883532495.db2.gz SBHXHRLAPKPOAY-RPWUZVMVSA-N 1 0 389.543 3.832 20 30 GHEDRO C#CC[N@@H+](CCCCC(=O)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000859139824 883613505 /nfs/dbraw/zinc/61/35/05/883613505.db2.gz JLHAHKQBVNZBSX-INIZCTEOSA-N 1 0 380.282 3.551 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000805172702 883655125 /nfs/dbraw/zinc/65/51/25/883655125.db2.gz YVBWKUKKKFATJM-ZTCOLXNVSA-N 1 0 389.543 3.831 20 30 GHEDRO C=CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccccc1 ZINC000609766274 883655258 /nfs/dbraw/zinc/65/52/58/883655258.db2.gz DJINEQLTUMHSBT-UHFFFAOYSA-N 1 0 381.432 3.624 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859214686 883668910 /nfs/dbraw/zinc/66/89/10/883668910.db2.gz MERCVQHNZWQXJO-HXUWFJFHSA-N 1 0 392.547 3.824 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1OCCCC#N ZINC000064614413 883761276 /nfs/dbraw/zinc/76/12/76/883761276.db2.gz GFIUTHWPCMZAPU-UHFFFAOYSA-N 1 0 376.460 3.853 20 30 GHEDRO Cc1ccc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1C#N ZINC000859352266 883768359 /nfs/dbraw/zinc/76/83/59/883768359.db2.gz RJDVCWODJUZLDH-SFHVURJKSA-N 1 0 393.453 3.880 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1C(F)(F)F ZINC000859605018 883928803 /nfs/dbraw/zinc/92/88/03/883928803.db2.gz AUHVOWXTWPUXGN-TUVASFSCSA-N 1 0 375.435 3.704 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000063403739 883987193 /nfs/dbraw/zinc/98/71/93/883987193.db2.gz PYQLBDYUFNJIJJ-UHFFFAOYSA-N 1 0 389.434 3.781 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)c2)c1 ZINC000897602765 884040389 /nfs/dbraw/zinc/04/03/89/884040389.db2.gz VJNVQBPSFJJGDS-UHFFFAOYSA-N 1 0 388.467 3.975 20 30 GHEDRO Cc1cc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001183772265 912780847 /nfs/dbraw/zinc/78/08/47/912780847.db2.gz UFZGQIISDIWMAS-UHFFFAOYSA-N 1 0 399.498 3.713 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](c1cccnc1)C1CC1)CCCC2 ZINC000542516612 884059564 /nfs/dbraw/zinc/05/95/64/884059564.db2.gz SOHMWUWSTFVCSS-FQEVSTJZSA-N 1 0 380.517 3.963 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc(OC)c1O ZINC000897616064 884139242 /nfs/dbraw/zinc/13/92/42/884139242.db2.gz IATNIMQTCZPBGP-OAHLLOKOSA-N 1 0 393.409 3.928 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194716214 884202151 /nfs/dbraw/zinc/20/21/51/884202151.db2.gz PKTVTZZPFQFHPL-UHFFFAOYSA-N 1 0 382.895 3.535 20 30 GHEDRO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1 ZINC000192036090 884232003 /nfs/dbraw/zinc/23/20/03/884232003.db2.gz KPELERPKRYYWGC-OAHLLOKOSA-N 1 0 399.516 3.990 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860038882 884281756 /nfs/dbraw/zinc/28/17/56/884281756.db2.gz XTGAZVRTOMAORN-FFGOWVMKSA-N 1 0 397.519 3.644 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1Br ZINC000487823436 884291581 /nfs/dbraw/zinc/29/15/81/884291581.db2.gz YQJXQTOAYYUJPJ-UHFFFAOYSA-N 1 0 399.292 3.501 20 30 GHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000193302902 884337899 /nfs/dbraw/zinc/33/78/99/884337899.db2.gz DDVAGQMDYCVHLY-GDBMZVCRSA-N 1 0 379.426 3.982 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487830360 884393044 /nfs/dbraw/zinc/39/30/44/884393044.db2.gz ABWSYZQRSZBQSD-UHFFFAOYSA-N 1 0 379.302 3.563 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000170668743 884495807 /nfs/dbraw/zinc/49/58/07/884495807.db2.gz MDPRMUUYIZRFGX-UHFFFAOYSA-N 1 0 381.476 3.723 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000806262754 884516159 /nfs/dbraw/zinc/51/61/59/884516159.db2.gz PZQYMLNPXSBAQE-DEOSSOPVSA-N 1 0 389.499 3.829 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[NH+]2CCCC2)cc1 ZINC000102955330 884652617 /nfs/dbraw/zinc/65/26/17/884652617.db2.gz XWVJAPPDVREOJP-HXUWFJFHSA-N 1 0 382.439 3.665 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286702437 912859876 /nfs/dbraw/zinc/85/98/76/912859876.db2.gz BIIQYQPHUYFADQ-LMMKCTJWSA-N 1 0 386.565 3.578 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(Br)c(C)cc3F)C2)C1=O ZINC001275261927 912869442 /nfs/dbraw/zinc/86/94/42/912869442.db2.gz RRUNWXXNKFEOAH-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191307958 884872799 /nfs/dbraw/zinc/87/27/99/884872799.db2.gz FJCLPAUWDQYEIC-LBPRGKRZSA-N 1 0 381.427 3.702 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000106035123 884934442 /nfs/dbraw/zinc/93/44/42/884934442.db2.gz PTUDJXDWBAQWOP-MSOLQXFVSA-N 1 0 377.326 3.709 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCc2ccc(Br)s2)CC1 ZINC000106038353 884936787 /nfs/dbraw/zinc/93/67/87/884936787.db2.gz XACKRLWBOVCGSO-UHFFFAOYSA-N 1 0 385.371 3.990 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000106275612 885025283 /nfs/dbraw/zinc/02/52/83/885025283.db2.gz JKJAXUGHCNRMGV-MRXNPFEDSA-N 1 0 399.514 3.721 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460374301 885095997 /nfs/dbraw/zinc/09/59/97/885095997.db2.gz HGLPRXUOAMXEOM-UHFFFAOYSA-N 1 0 398.511 3.740 20 30 GHEDRO CCC[N@H+](CC(=O)NCCc1cccc2cccnc21)Cc1ccc(C#N)cc1 ZINC000153438193 885324085 /nfs/dbraw/zinc/32/40/85/885324085.db2.gz VOLYOJWBVMQZJE-UHFFFAOYSA-N 1 0 386.499 3.677 20 30 GHEDRO CC[NH+](CC)CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000071919936 885368454 /nfs/dbraw/zinc/36/84/54/885368454.db2.gz LPUAMBANHMRGOG-UHFFFAOYSA-N 1 0 380.492 3.795 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807466760 885462129 /nfs/dbraw/zinc/46/21/29/885462129.db2.gz FICBKWMRAKRYLM-GOTSBHOMSA-N 1 0 375.516 3.537 20 30 GHEDRO COc1ccc([C@@H](CNc2c(C#N)cnc3ccc(C)cc32)[NH+](C)C)cc1OC ZINC000487899147 885581321 /nfs/dbraw/zinc/58/13/21/885581321.db2.gz UXUBCHUSDBXXMW-HXUWFJFHSA-N 1 0 390.487 3.569 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1-c1cccnc1 ZINC000153473192 885784424 /nfs/dbraw/zinc/78/44/24/885784424.db2.gz IGDDTEZKCVPZLI-LJQANCHMSA-N 1 0 398.580 3.570 20 30 GHEDRO C[NH+](C)CCN1c2ccccc2C(=NNc2ccnc3cc(Cl)ccc32)C1=O ZINC000807942912 885881047 /nfs/dbraw/zinc/88/10/47/885881047.db2.gz LVMZGHXUDAIKEM-UHFFFAOYSA-N 1 0 393.878 3.613 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000532533026 885923995 /nfs/dbraw/zinc/92/39/95/885923995.db2.gz WCUDAXYYZIRSQZ-KRWDZBQOSA-N 1 0 388.581 3.681 20 30 GHEDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000915217089 886047439 /nfs/dbraw/zinc/04/74/39/886047439.db2.gz YCDUOLIYVKVOHB-KXBFYZLASA-N 1 0 386.455 3.925 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000808287026 886191730 /nfs/dbraw/zinc/19/17/30/886191730.db2.gz HVKYWKTWVFXGKX-FHLIZLRMSA-N 1 0 379.907 3.819 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C[C@@H]1[NH+](C)C ZINC000495633649 886289886 /nfs/dbraw/zinc/28/98/86/886289886.db2.gz AREMYLPYWGNMQR-PZJWPPBQSA-N 1 0 395.528 3.777 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc(OC)c1OC ZINC000919762543 886314451 /nfs/dbraw/zinc/31/44/51/886314451.db2.gz IWHQQUKFGDLADG-UWJYYQICSA-N 1 0 394.515 3.998 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000032410901 886336571 /nfs/dbraw/zinc/33/65/71/886336571.db2.gz XLQQQVHJILSCEC-UHFFFAOYSA-N 1 0 379.504 3.954 20 30 GHEDRO CC(C)OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000532633058 886588486 /nfs/dbraw/zinc/58/84/86/886588486.db2.gz NKUVWXJMQBRSCF-OAHLLOKOSA-N 1 0 389.565 3.963 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)OCc2ccc(C#N)cc2Cl)cc1 ZINC000808755695 886732112 /nfs/dbraw/zinc/73/21/12/886732112.db2.gz KLVCSCKROXRULH-UXBLZVDNSA-N 1 0 384.863 3.909 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000556920127 886734474 /nfs/dbraw/zinc/73/44/74/886734474.db2.gz DZXJEGVJDXNLNL-LJQANCHMSA-N 1 0 399.470 3.941 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000171723274 887069414 /nfs/dbraw/zinc/06/94/14/887069414.db2.gz ZHKPCTJDUFLKDK-UHFFFAOYSA-N 1 0 375.925 3.773 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001127378998 887079901 /nfs/dbraw/zinc/07/99/01/887079901.db2.gz SVBQHILXIOJQNX-GOSISDBHSA-N 1 0 389.434 3.593 20 30 GHEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000863390985 887081526 /nfs/dbraw/zinc/08/15/26/887081526.db2.gz NYDSQBXNAPGOFO-UGKGYDQZSA-N 1 0 380.488 3.701 20 30 GHEDRO C#CC[N@@H+](CCCn1ccnc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000762926271 887110410 /nfs/dbraw/zinc/11/04/10/887110410.db2.gz ORXCTDRTQURNRL-GOSISDBHSA-N 1 0 388.309 3.803 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001184313298 913121379 /nfs/dbraw/zinc/12/13/79/913121379.db2.gz KFWYOYDBTFLHOI-MZADTFQBSA-N 1 0 384.520 3.588 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccsc1 ZINC000487995792 887254372 /nfs/dbraw/zinc/25/43/72/887254372.db2.gz RZTQBWMYZGJLLC-HNNXBMFYSA-N 1 0 393.310 3.807 20 30 GHEDRO C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272400196 887388147 /nfs/dbraw/zinc/38/81/47/887388147.db2.gz YSQFCIAJAJVXKN-XMSQKQJNSA-N 1 0 376.504 3.610 20 30 GHEDRO CC[N@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000193757317 887421476 /nfs/dbraw/zinc/42/14/76/887421476.db2.gz YBMISWLZNWXRDD-GHTZIAJQSA-N 1 0 376.504 3.969 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(O)c(OCC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000459333531 887450156 /nfs/dbraw/zinc/45/01/56/887450156.db2.gz JAKHBLFNQGZEPH-MRXNPFEDSA-N 1 0 379.464 3.516 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000188750651 887453543 /nfs/dbraw/zinc/45/35/43/887453543.db2.gz RHMFKNGURLUSCJ-KRWDZBQOSA-N 1 0 397.479 3.706 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1C#N ZINC000888219047 887558780 /nfs/dbraw/zinc/55/87/80/887558780.db2.gz SZDADQYGLXTHOW-CQSZACIVSA-N 1 0 390.553 3.540 20 30 GHEDRO C#Cc1ccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000809612299 887583817 /nfs/dbraw/zinc/58/38/17/887583817.db2.gz ITKNUGYDIQSCJH-OAQYLSRUSA-N 1 0 388.433 3.850 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)c(F)c1 ZINC000809616356 887588142 /nfs/dbraw/zinc/58/81/42/887588142.db2.gz VDRBMHWPYQDZLW-UHFFFAOYSA-N 1 0 381.451 3.836 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H](O)c1ccccc1 ZINC000794607386 887659768 /nfs/dbraw/zinc/65/97/68/887659768.db2.gz USKHOQCGCLYXGI-HSQYWUDLSA-N 1 0 397.494 3.809 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H](O)c1ccccc1 ZINC000794601665 887666603 /nfs/dbraw/zinc/66/66/03/887666603.db2.gz ASIRJXDJLOVHRD-VLCRHTCISA-N 1 0 379.504 3.670 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000532681633 887692863 /nfs/dbraw/zinc/69/28/63/887692863.db2.gz FOVVVIQGVHGYLX-OAQYLSRUSA-N 1 0 376.504 3.737 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670233932 887789420 /nfs/dbraw/zinc/78/94/20/887789420.db2.gz ZNNPPDAFQFCZQA-HXUWFJFHSA-N 1 0 390.535 3.570 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000670233848 887791401 /nfs/dbraw/zinc/79/14/01/887791401.db2.gz HIGLKUBTCWLELG-NRFANRHFSA-N 1 0 381.568 3.808 20 30 GHEDRO C#CC[C@@H](CCOC)NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001131941052 887980364 /nfs/dbraw/zinc/98/03/64/887980364.db2.gz JLAVJDWGDCGHJH-ZWKOTPCHSA-N 1 0 384.442 3.633 20 30 GHEDRO O/N=C/c1cccc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001170594081 888054850 /nfs/dbraw/zinc/05/48/50/888054850.db2.gz AUDNBKKCDXIUGC-ZDXRRBIGSA-N 1 0 389.499 3.970 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000810130263 888197411 /nfs/dbraw/zinc/19/74/11/888197411.db2.gz LBLHFIKNDJHUSA-DLBZAZTESA-N 1 0 390.487 3.753 20 30 GHEDRO Cc1cc(F)ccc1N(CC#N)C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC001132126986 888263048 /nfs/dbraw/zinc/26/30/48/888263048.db2.gz WZGQKZXDORYZCZ-WDZFZDKYSA-N 1 0 381.451 3.645 20 30 GHEDRO C=CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(NC(=O)OC(C)(C)C)cc3)C2=O)CC1 ZINC000794852183 888456062 /nfs/dbraw/zinc/45/60/62/888456062.db2.gz IOTNSYXGNREVKI-SFHVURJKSA-N 1 0 399.491 3.564 20 30 GHEDRO Cc1ncc(CO)c(/C=N\Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000915981793 888597885 /nfs/dbraw/zinc/59/78/85/888597885.db2.gz HLZHBDBYDMJWFO-SJJGZAMRSA-N 1 0 381.520 3.685 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3ncc(Br)s3)CC2)cc1 ZINC000865848146 888609520 /nfs/dbraw/zinc/60/95/20/888609520.db2.gz GWLXPTRINJAZQX-UHFFFAOYSA-N 1 0 391.338 3.531 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3sccc3Cl)C2)C1=O ZINC001275313476 913270743 /nfs/dbraw/zinc/27/07/43/913270743.db2.gz FFXLIYBLSOCTGM-UTKZUKDTSA-N 1 0 384.932 3.853 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H]1c1cccs1 ZINC000866058144 888713708 /nfs/dbraw/zinc/71/37/08/888713708.db2.gz UXDKXQCDJZFXEA-FOIQADDNSA-N 1 0 378.501 3.914 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(C#N)cc1F ZINC000609240760 888825714 /nfs/dbraw/zinc/82/57/14/888825714.db2.gz NDHNRBYFMFNDBX-QGZVFWFLSA-N 1 0 395.478 3.881 20 30 GHEDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c1 ZINC000866445377 888882140 /nfs/dbraw/zinc/88/21/40/888882140.db2.gz JNTNXXLJPUYEDP-QGZVFWFLSA-N 1 0 392.503 3.543 20 30 GHEDRO COC(=O)c1ccc([N-][NH+]=Cc2c(C)nn(-c3ccccc3)c2N)cc1Cl ZINC000794928244 888915666 /nfs/dbraw/zinc/91/56/66/888915666.db2.gz CZAGLNTYCIHPPS-UHFFFAOYSA-N 1 0 383.839 3.649 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000810843030 888935092 /nfs/dbraw/zinc/93/50/92/888935092.db2.gz CZXWRZCTKCVBIX-PMACEKPBSA-N 1 0 392.503 3.864 20 30 GHEDRO N#CCc1ccccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764892 889030734 /nfs/dbraw/zinc/03/07/34/889030734.db2.gz SDIQWPDNGCYEFP-SFHVURJKSA-N 1 0 383.879 3.506 20 30 GHEDRO C[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000488167113 889306719 /nfs/dbraw/zinc/30/67/19/889306719.db2.gz VPASCYFMOVVIPA-AWEZNQCLSA-N 1 0 375.538 3.717 20 30 GHEDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000868210892 889353917 /nfs/dbraw/zinc/35/39/17/889353917.db2.gz RHAIZVYHDOJHGX-CRAIPNDOSA-N 1 0 382.430 3.568 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000532988345 889472300 /nfs/dbraw/zinc/47/23/00/889472300.db2.gz KIVRGNCYZMULQP-BZSNNMDCSA-N 1 0 388.581 3.824 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465536467 889543881 /nfs/dbraw/zinc/54/38/81/889543881.db2.gz AOIOYXMPKZYJRI-NPDDRXJXSA-N 1 0 382.552 3.836 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000533028570 889544852 /nfs/dbraw/zinc/54/48/52/889544852.db2.gz COPUCCCKNZPHGD-GOSISDBHSA-N 1 0 392.341 3.862 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c(C(F)(F)F)c1 ZINC000811455943 889615624 /nfs/dbraw/zinc/61/56/24/889615624.db2.gz ZYFUXBVWSCCKSW-INIZCTEOSA-N 1 0 388.393 3.823 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000868869926 889634432 /nfs/dbraw/zinc/63/44/32/889634432.db2.gz ZCRBCQMAFIWHCF-INIZCTEOSA-N 1 0 399.894 3.862 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000173591418 889775404 /nfs/dbraw/zinc/77/54/04/889775404.db2.gz JRIUBGODBGUUMJ-KRWDZBQOSA-N 1 0 381.476 3.534 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2C#N)[n+]2ccccc2)n1 ZINC000811725060 889923751 /nfs/dbraw/zinc/92/37/51/889923751.db2.gz YOIIQYUFVQNFRW-UHFFFAOYSA-O 1 0 389.460 3.573 20 30 GHEDRO Cc1nsc(N2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)c1C#N ZINC000811786063 889999117 /nfs/dbraw/zinc/99/91/17/889999117.db2.gz PBLHNLSCYCLBEW-UHFFFAOYSA-N 1 0 381.530 3.787 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@H]2c2ccnn2C)c1 ZINC000533219153 890024126 /nfs/dbraw/zinc/02/41/26/890024126.db2.gz ZZJXGSORPPIAOV-NRFANRHFSA-N 1 0 379.508 3.511 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000287556813 913406983 /nfs/dbraw/zinc/40/69/83/913406983.db2.gz KRLDQSHFAAIVEA-UHFFFAOYSA-N 1 0 388.846 3.683 20 30 GHEDRO C=CCCCCCCC[N@H+]1CC[C@]2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001275335334 913420974 /nfs/dbraw/zinc/42/09/74/913420974.db2.gz HQSHSAAKGBOENY-SFHVURJKSA-N 1 0 376.463 3.769 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNc1cc(C(F)(F)F)c(C(=O)OC)cn1)C(C)C ZINC001184775407 913425380 /nfs/dbraw/zinc/42/53/80/913425380.db2.gz LNZGMLFGBZWPSW-MRXNPFEDSA-N 1 0 385.430 3.998 20 30 GHEDRO COc1ccc(CC(N)=NO[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000122978779 890243464 /nfs/dbraw/zinc/24/34/64/890243464.db2.gz BFSUEBLWLJSFHE-HNNXBMFYSA-N 1 0 380.448 3.955 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000533369430 890399493 /nfs/dbraw/zinc/39/94/93/890399493.db2.gz ZDEXDMLIBWOJPU-JOCHJYFZSA-N 1 0 385.508 3.604 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1Cl ZINC001184813828 913454298 /nfs/dbraw/zinc/45/42/98/913454298.db2.gz UXUQJSMBGYDMSZ-QGZVFWFLSA-N 1 0 389.286 3.827 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC2(CCCCC2)C1 ZINC000533440244 890519088 /nfs/dbraw/zinc/51/90/88/890519088.db2.gz WGXWQHSSVRHWOA-UHFFFAOYSA-N 1 0 377.492 3.729 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)C(F)(F)F)c1 ZINC000871021710 890604517 /nfs/dbraw/zinc/60/45/17/890604517.db2.gz VWSBIGRCBCAFSJ-HNNXBMFYSA-N 1 0 394.422 3.515 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000871099033 890643062 /nfs/dbraw/zinc/64/30/62/890643062.db2.gz PNZMXDWUFJPDAR-UHFFFAOYSA-N 1 0 388.947 3.880 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000497312235 890770529 /nfs/dbraw/zinc/77/05/29/890770529.db2.gz PNXONULIHWXUKX-UHFFFAOYSA-N 1 0 389.500 3.572 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000455423408 890936348 /nfs/dbraw/zinc/93/63/48/890936348.db2.gz NTBIPSXUAOOOSO-QHCPKHFHSA-N 1 0 389.543 3.808 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cccc(Cl)c3)CC2)cc1 ZINC000027361184 890949542 /nfs/dbraw/zinc/94/95/42/890949542.db2.gz KASVESQMOVMEBH-UHFFFAOYSA-N 1 0 396.922 3.672 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834313 891018872 /nfs/dbraw/zinc/01/88/72/891018872.db2.gz PEXJIGQVODIDPD-INIZCTEOSA-N 1 0 395.450 3.895 20 30 GHEDRO C#CCN(C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000123803675 891032272 /nfs/dbraw/zinc/03/22/72/891032272.db2.gz YERAUSMJUPKXJZ-UHFFFAOYSA-N 1 0 397.563 3.645 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000536641256 891036592 /nfs/dbraw/zinc/03/65/92/891036592.db2.gz GZDDJLPYNGZCLH-UHFFFAOYSA-N 1 0 396.413 3.591 20 30 GHEDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)ccc1OCc1cccc(C#N)c1 ZINC000533671209 891051169 /nfs/dbraw/zinc/05/11/69/891051169.db2.gz VFEBKCIHNKXTNE-NHCUHLMSSA-N 1 0 380.488 3.739 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812871630 891087099 /nfs/dbraw/zinc/08/70/99/891087099.db2.gz JCTAQUQYHVGBLZ-QFIPXVFZSA-N 1 0 379.479 3.506 20 30 GHEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000812899369 891114438 /nfs/dbraw/zinc/11/44/38/891114438.db2.gz RVSRHCWBVVNUNS-KRWDZBQOSA-N 1 0 378.476 3.598 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)CC1 ZINC000106034891 891185928 /nfs/dbraw/zinc/18/59/28/891185928.db2.gz STESNMODHGLWBM-UHFFFAOYSA-N 1 0 381.398 3.837 20 30 GHEDRO C#CC1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000825611307 891280911 /nfs/dbraw/zinc/28/09/11/891280911.db2.gz OXYBXFCHSRXBAN-UHFFFAOYSA-N 1 0 375.516 3.970 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2ccccc2OCC(F)(F)F)cc1 ZINC000747838791 891290373 /nfs/dbraw/zinc/29/03/73/891290373.db2.gz LCUYCYSOKWMWJT-UHFFFAOYSA-N 1 0 381.398 3.526 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC(C)(C)C)c1 ZINC000127693547 891693129 /nfs/dbraw/zinc/69/31/29/891693129.db2.gz FNBAMDIZGJDFRV-UHFFFAOYSA-O 1 0 386.497 3.826 20 30 GHEDRO N#CCOc1cccc(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000124736828 891894274 /nfs/dbraw/zinc/89/42/74/891894274.db2.gz QAJGEKJNYNEPIP-UHFFFAOYSA-N 1 0 391.515 3.824 20 30 GHEDRO CC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620912 892027393 /nfs/dbraw/zinc/02/73/93/892027393.db2.gz QQGSGHCFKCQDLI-FPOVZHCZSA-N 1 0 390.531 3.584 20 30 GHEDRO N#CCc1c[nH]c2cccc(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)c12 ZINC001170718819 892135294 /nfs/dbraw/zinc/13/52/94/892135294.db2.gz NTVYYKKEQYLQRD-MEMLXQNLSA-N 1 0 391.563 3.985 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3CCCCN3[C@@H]3CC[NH2+]C3)n2)cc1Cl ZINC001212103485 892278147 /nfs/dbraw/zinc/27/81/47/892278147.db2.gz WUVSXIAOXTXIPP-WBMJQRKESA-N 1 0 392.290 3.804 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000814250387 892465246 /nfs/dbraw/zinc/46/52/46/892465246.db2.gz QXCJQDPPHNRMCY-HOTGVXAUSA-N 1 0 392.459 3.583 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000875237751 892505335 /nfs/dbraw/zinc/50/53/35/892505335.db2.gz AIWRKPCSPUAJMF-DOTOQJQBSA-N 1 0 382.430 3.581 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000154518967 892525614 /nfs/dbraw/zinc/52/56/14/892525614.db2.gz HRTQYUSYOXOLJD-KRWDZBQOSA-O 1 0 384.569 3.984 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000533740285 892710466 /nfs/dbraw/zinc/71/04/66/892710466.db2.gz DJZAUKRPFYHDKX-RTWAWAEBSA-N 1 0 396.535 3.948 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000508713405 892832632 /nfs/dbraw/zinc/83/26/32/892832632.db2.gz KKNITILETGJIRK-UHFFFAOYSA-N 1 0 388.519 3.627 20 30 GHEDRO COC(=O)c1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1CC#N ZINC001170752596 892920941 /nfs/dbraw/zinc/92/09/41/892920941.db2.gz QLSSSSMSSHAWCI-NRFANRHFSA-N 1 0 377.488 3.658 20 30 GHEDRO c1coc(CCNC(N[C@@H]2CCO[C@]3(CCSC3)C2)=[NH+]C2CCCCC2)c1 ZINC000154613103 892996618 /nfs/dbraw/zinc/99/66/18/892996618.db2.gz NXXMCADQDHZEHS-WIYYLYMNSA-N 1 0 391.581 3.745 20 30 GHEDRO N#Cc1cccc2c(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)nc(Cl)nc12 ZINC001170754469 892997305 /nfs/dbraw/zinc/99/73/05/892997305.db2.gz XAYOXTRGOCUHCQ-SFHVURJKSA-N 1 0 391.906 3.696 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+]1CCCCC1 ZINC000918035172 893032386 /nfs/dbraw/zinc/03/23/86/893032386.db2.gz LWDCCOIIQVSJGR-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000130561022 893033687 /nfs/dbraw/zinc/03/36/87/893033687.db2.gz QKMIZXYJTBZDRP-IYBDPMFKSA-N 1 0 389.927 3.563 20 30 GHEDRO C[N@H+](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1CCSC1 ZINC000154625166 893048129 /nfs/dbraw/zinc/04/81/29/893048129.db2.gz OATPXHLWOCTHDA-NRFANRHFSA-N 1 0 397.519 3.663 20 30 GHEDRO CC(N=Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000814680361 893063739 /nfs/dbraw/zinc/06/37/39/893063739.db2.gz MQPXNWDGSABRTB-UHFFFAOYSA-N 1 0 389.334 3.651 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000933610496 893096929 /nfs/dbraw/zinc/09/69/29/893096929.db2.gz LXHBRZBVSGRVRQ-UHFFFAOYSA-N 1 0 378.863 3.599 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000933610482 893097037 /nfs/dbraw/zinc/09/70/37/893097037.db2.gz LOQOKZNMNITVSB-SFHVURJKSA-N 1 0 379.426 3.539 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2n1 ZINC000933686241 893132016 /nfs/dbraw/zinc/13/20/16/893132016.db2.gz WEUNIXOTVOTIJY-UTKZUKDTSA-N 1 0 379.508 3.703 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1Br)Cc1cc(C#N)cs1 ZINC000933774479 893209485 /nfs/dbraw/zinc/20/94/85/893209485.db2.gz RSJVUMNFUOWUFF-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC1 ZINC000933855686 893260767 /nfs/dbraw/zinc/26/07/67/893260767.db2.gz ZEMZAELYMZWICL-UHFFFAOYSA-N 1 0 382.508 3.544 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000876637839 893268221 /nfs/dbraw/zinc/26/82/21/893268221.db2.gz UFYPPPCIKCYKIN-KBPBESRZSA-N 1 0 387.705 3.591 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000876637770 893268394 /nfs/dbraw/zinc/26/83/94/893268394.db2.gz RPVDGSKRBOAZMV-ZWKOTPCHSA-N 1 0 388.895 3.574 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876771087 893323575 /nfs/dbraw/zinc/32/35/75/893323575.db2.gz VLDHVUFLYOCKEZ-QVKFZJNVSA-N 1 0 387.487 3.553 20 30 GHEDRO C[C@H]([NH2+]C1(CNCc2cc(C#N)cnc2Cl)CCOCC1)c1ccccc1 ZINC000877047050 893456197 /nfs/dbraw/zinc/45/61/97/893456197.db2.gz TYULTFARJUXMAK-INIZCTEOSA-N 1 0 384.911 3.596 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)cc1 ZINC001137116360 893516354 /nfs/dbraw/zinc/51/63/54/893516354.db2.gz AUFKNHJVOFTRSE-UHFFFAOYSA-N 1 0 388.446 3.786 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1 ZINC001137116563 893517052 /nfs/dbraw/zinc/51/70/52/893517052.db2.gz IWXDLEYQFVWTBL-UHFFFAOYSA-N 1 0 388.446 3.786 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)cc1 ZINC001137116694 893520274 /nfs/dbraw/zinc/52/02/74/893520274.db2.gz NOQYDAFJDJYCTB-UHFFFAOYSA-N 1 0 395.528 3.779 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1 ZINC001137116738 893520332 /nfs/dbraw/zinc/52/03/32/893520332.db2.gz OYZUYZFLUSQBOW-QFIPXVFZSA-N 1 0 395.528 3.779 20 30 GHEDRO CN(CCC#N)c1ccc(CN2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000126414666 893536794 /nfs/dbraw/zinc/53/67/94/893536794.db2.gz UVFWSBOFDZHJEY-JOCHJYFZSA-N 1 0 377.488 3.744 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC001137117776 893552574 /nfs/dbraw/zinc/55/25/74/893552574.db2.gz GDONKPIHYRPZDJ-OAQYLSRUSA-N 1 0 381.501 3.670 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001137117811 893553155 /nfs/dbraw/zinc/55/31/55/893553155.db2.gz HDGFHXVXSTVFSP-HSZRJFAPSA-N 1 0 379.479 3.969 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000877651801 893742721 /nfs/dbraw/zinc/74/27/21/893742721.db2.gz LLGMKWQYLSQSNX-IAGOWNOFSA-N 1 0 377.529 3.607 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(O)c1Br ZINC000459555399 893798015 /nfs/dbraw/zinc/79/80/15/893798015.db2.gz FPEHXZIFOSDIQI-UHFFFAOYSA-N 1 0 388.309 3.590 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000877793920 893814100 /nfs/dbraw/zinc/81/41/00/893814100.db2.gz DADVCMGQEMLKTH-UHFFFAOYSA-N 1 0 392.551 3.699 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000877928526 893899185 /nfs/dbraw/zinc/89/91/85/893899185.db2.gz YHOIGHXLIJTBHP-DNQXCXABSA-N 1 0 376.500 3.873 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000877943762 893905702 /nfs/dbraw/zinc/90/57/02/893905702.db2.gz QBNOFHKRTDHMBG-WZONZLPQSA-N 1 0 387.487 3.701 20 30 GHEDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000536830958 893939749 /nfs/dbraw/zinc/93/97/49/893939749.db2.gz GCFABOOWIZRKLL-JGVFFNPUSA-N 1 0 379.272 3.853 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000878010479 893944767 /nfs/dbraw/zinc/94/47/67/893944767.db2.gz MYJMCIHBXMVZGK-OAHLLOKOSA-N 1 0 378.270 3.500 20 30 GHEDRO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000563591170 893946151 /nfs/dbraw/zinc/94/61/51/893946151.db2.gz BVAXWEDWCUQOLA-OAQYLSRUSA-N 1 0 387.487 3.706 20 30 GHEDRO C=CC[N@@H+](CC(=O)Nc1cc(OC)c(OC)c(OC)c1)CC1CCCCC1 ZINC000069860087 893947733 /nfs/dbraw/zinc/94/77/33/893947733.db2.gz UHNRPSWASZGQCH-UHFFFAOYSA-N 1 0 376.497 3.719 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000609281499 893998902 /nfs/dbraw/zinc/99/89/02/893998902.db2.gz MPTVMIWEVYEHML-UHFFFAOYSA-N 1 0 391.475 3.908 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000459657688 893999238 /nfs/dbraw/zinc/99/92/38/893999238.db2.gz IIFCFUUGFMPHJH-CYBMUJFWSA-N 1 0 394.313 3.786 20 30 GHEDRO CC(C)Cn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000563758959 894155838 /nfs/dbraw/zinc/15/58/38/894155838.db2.gz LIIZKTNDQKVQSO-UHFFFAOYSA-N 1 0 392.551 3.786 20 30 GHEDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000878370793 894236886 /nfs/dbraw/zinc/23/68/86/894236886.db2.gz BKOSBUYMDXBJMS-IBGZPJMESA-N 1 0 378.476 3.547 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000537061599 894253208 /nfs/dbraw/zinc/25/32/08/894253208.db2.gz RXKGRCXJCGQCPS-SUNYJGFJSA-N 1 0 385.430 3.721 20 30 GHEDRO CCN(CC)C(=O)CCC1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878398891 894258254 /nfs/dbraw/zinc/25/82/54/894258254.db2.gz LQDYNXLGQMRUAR-XMMPIXPASA-N 1 0 397.563 3.788 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000537075002 894295464 /nfs/dbraw/zinc/29/54/64/894295464.db2.gz CXZPDEIOGNKSMQ-LIRRHRJNSA-N 1 0 392.341 3.888 20 30 GHEDRO CCC(CC)[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccs1 ZINC000537075934 894296588 /nfs/dbraw/zinc/29/65/88/894296588.db2.gz KSTXDVZHJLIQPM-GHTZIAJQSA-N 1 0 390.597 3.507 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC)cc1 ZINC000022733799 894334231 /nfs/dbraw/zinc/33/42/31/894334231.db2.gz SAAYLNRUUNTXCH-UHFFFAOYSA-O 1 0 386.497 3.944 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)c3ncc(C#N)cc3C)CCC[N@@H+]2C)cc1 ZINC000815952247 894355752 /nfs/dbraw/zinc/35/57/52/894355752.db2.gz FZNKPWRNWZZHOY-GHTZIAJQSA-N 1 0 379.460 3.510 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(Oc2ccncc2C)CC1)c1ccccc1 ZINC000878522555 894357643 /nfs/dbraw/zinc/35/76/43/894357643.db2.gz OMJNYMNACFQSRI-QHCPKHFHSA-N 1 0 377.488 3.674 20 30 GHEDRO Cc1cc(NC(=O)C2(C#N)CCSCC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000935615556 894668839 /nfs/dbraw/zinc/66/88/39/894668839.db2.gz DYSLBPFPHCPSRF-UHFFFAOYSA-N 1 0 386.565 3.501 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000537293977 894717923 /nfs/dbraw/zinc/71/79/23/894717923.db2.gz OMOULXXLIUKCLI-GOEBONIOSA-N 1 0 378.394 3.959 20 30 GHEDRO C[C@@H]1CC[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564211434 894725790 /nfs/dbraw/zinc/72/57/90/894725790.db2.gz HFRFCMPABONTJM-QWQRMKEZSA-N 1 0 389.425 3.898 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001185477263 913896133 /nfs/dbraw/zinc/89/61/33/913896133.db2.gz FRQXDCDEGCNGHH-IBGZPJMESA-N 1 0 393.384 3.765 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(CNc2ncccc2C#N)c1)c1ccccc1 ZINC001135564446 894800213 /nfs/dbraw/zinc/80/02/13/894800213.db2.gz ZQOMUUSCBCNZSC-JOCHJYFZSA-N 1 0 399.498 3.598 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000879136146 894857370 /nfs/dbraw/zinc/85/73/70/894857370.db2.gz JILAOLXJMWVQGK-NSHGMRRFSA-N 1 0 392.503 3.867 20 30 GHEDRO CCc1ccc(C#CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000816536290 894905857 /nfs/dbraw/zinc/90/58/57/894905857.db2.gz QTDNUPXLUXRNEM-UHFFFAOYSA-N 1 0 378.438 3.522 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)ccc1Cl ZINC000537410833 894931831 /nfs/dbraw/zinc/93/18/31/894931831.db2.gz IXINIAPBPMIXKC-FQEVSTJZSA-N 1 0 377.916 3.522 20 30 GHEDRO COc1ccc([C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000879461145 895071632 /nfs/dbraw/zinc/07/16/32/895071632.db2.gz DTDDXZHLBMLWKL-LWCVALJOSA-N 1 0 385.508 3.680 20 30 GHEDRO CSC1(CNc2cc(C)c(C#N)c3nc4ccccc4n32)CC[NH+](C)CC1 ZINC000564561029 895082328 /nfs/dbraw/zinc/08/23/28/895082328.db2.gz IFKLGPSBPVBQII-UHFFFAOYSA-N 1 0 379.533 3.907 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000879950021 895420922 /nfs/dbraw/zinc/42/09/22/895420922.db2.gz CMVKFWFUKBJEFH-KRWDZBQOSA-N 1 0 396.560 3.813 20 30 GHEDRO Cc1csc([C@@H]2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007194 895443903 /nfs/dbraw/zinc/44/39/03/895443903.db2.gz DIZZJPYNUSRHQW-QWHCGFSZSA-N 1 0 386.546 3.690 20 30 GHEDRO Cc1csc([C@H]2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007195 895444255 /nfs/dbraw/zinc/44/42/55/895444255.db2.gz DIZZJPYNUSRHQW-STQMWFEESA-N 1 0 386.546 3.690 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223060 895579793 /nfs/dbraw/zinc/57/97/93/895579793.db2.gz QWGSQFVFOKDJSZ-CDMIOBSGSA-N 1 0 395.528 3.517 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000880343416 895647530 /nfs/dbraw/zinc/64/75/30/895647530.db2.gz NOSREXCXTJJHMV-GOSISDBHSA-N 1 0 379.545 3.808 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000565500762 895678335 /nfs/dbraw/zinc/67/83/35/895678335.db2.gz FQQYLNZYNXKGSG-CVDCTZTESA-N 1 0 391.515 3.887 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)CC1 ZINC000565673798 895798284 /nfs/dbraw/zinc/79/82/84/895798284.db2.gz VMVGKJQDDYUYED-KRWDZBQOSA-N 1 0 380.414 3.721 20 30 GHEDRO C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001170881744 895940329 /nfs/dbraw/zinc/94/03/29/895940329.db2.gz LZDMIYKCBRVDAS-IEBWSBKVSA-N 1 0 387.524 3.810 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000565924808 895984259 /nfs/dbraw/zinc/98/42/59/895984259.db2.gz VYCYEKYJTSNBSQ-UHFFFAOYSA-N 1 0 379.464 3.551 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)C2)CC1 ZINC000880930640 896008647 /nfs/dbraw/zinc/00/86/47/896008647.db2.gz WZIOJXXTYBFVQW-ROUUACIJSA-N 1 0 394.441 3.535 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C(F)(F)F)c1 ZINC000880932760 896011107 /nfs/dbraw/zinc/01/11/07/896011107.db2.gz QQMJECPBLJOHKF-GOSISDBHSA-N 1 0 394.441 3.822 20 30 GHEDRO C=CC[N@H+](Cc1cccs1)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818164317 896050060 /nfs/dbraw/zinc/05/00/60/896050060.db2.gz ISUQDYKCJGRROD-SFHVURJKSA-N 1 0 380.554 3.744 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)Nc3cc(C#N)c(F)cc3C)CCCC2)CC1 ZINC000880993689 896051905 /nfs/dbraw/zinc/05/19/05/896051905.db2.gz KPOSDYOKHVHNPG-UHFFFAOYSA-N 1 0 388.487 3.551 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]C[C@@H](OCC3CC3)c3ccc(Cl)cc3)cnc12 ZINC000566068870 896089071 /nfs/dbraw/zinc/08/90/71/896089071.db2.gz HZXGMZNGOHDQLD-LJQANCHMSA-N 1 0 381.867 3.512 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000881150209 896200950 /nfs/dbraw/zinc/20/09/50/896200950.db2.gz MXPFNJHXCMTYQG-PZJWPPBQSA-N 1 0 389.503 3.666 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CC#N)n1 ZINC000881152450 896202391 /nfs/dbraw/zinc/20/23/91/896202391.db2.gz HZMCQTPOIKNGMC-IBGZPJMESA-N 1 0 377.492 3.524 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000129051643 896360549 /nfs/dbraw/zinc/36/05/49/896360549.db2.gz DMVIDMAVXQQTKF-UHFFFAOYSA-N 1 0 376.500 3.745 20 30 GHEDRO CC1CCN(c2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)CC1 ZINC000819038834 896363700 /nfs/dbraw/zinc/36/37/00/896363700.db2.gz JGXRMASKRWCYIV-QHCPKHFHSA-N 1 0 393.531 3.518 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)ccc1OC ZINC000819067723 896383507 /nfs/dbraw/zinc/38/35/07/896383507.db2.gz IRFKNEJIJSXBBA-CRAIPNDOSA-N 1 0 392.858 3.992 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+](C)[C@H](C)CC)s1 ZINC000819230888 896521606 /nfs/dbraw/zinc/52/16/06/896521606.db2.gz NGXPNGAUYSPUSZ-GFCCVEGCSA-N 1 0 375.991 3.685 20 30 GHEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000566734171 896532684 /nfs/dbraw/zinc/53/26/84/896532684.db2.gz WAWAXMYNYMCWSI-AWEZNQCLSA-N 1 0 396.434 3.744 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C[NH+](C)C)C(C)C)s1 ZINC000819278438 896563758 /nfs/dbraw/zinc/56/37/58/896563758.db2.gz DLWFDKBPSVZYKU-ZDUSSCGKSA-N 1 0 375.991 3.541 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000819326676 896571363 /nfs/dbraw/zinc/57/13/63/896571363.db2.gz UHBSSJLNRAGQGJ-RBUKOAKNSA-N 1 0 385.508 3.503 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)s1 ZINC000819310849 896603840 /nfs/dbraw/zinc/60/38/40/896603840.db2.gz FBAAITDYGITRKT-ZDUSSCGKSA-N 1 0 390.018 3.931 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000882396131 896788398 /nfs/dbraw/zinc/78/83/98/896788398.db2.gz HSUAPXLYEIFCHC-XPWALMASSA-N 1 0 386.499 3.585 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)/C=C/c2ccccc2C#N)[NH+]2CCCC2)c1 ZINC000041816307 896791662 /nfs/dbraw/zinc/79/16/62/896791662.db2.gz PEZGIBQCSZTZAC-VDZCTEQFSA-N 1 0 375.472 3.533 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000567042735 896827412 /nfs/dbraw/zinc/82/74/12/896827412.db2.gz UFHVRDANEKEHNH-UHFFFAOYSA-N 1 0 376.909 3.553 20 30 GHEDRO Cc1ccc(C#N)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000567243233 897002883 /nfs/dbraw/zinc/00/28/83/897002883.db2.gz ZUEIGOYFPVGWBF-OAQYLSRUSA-N 1 0 376.504 3.602 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000567345595 897081283 /nfs/dbraw/zinc/08/12/83/897081283.db2.gz MTTWQIGSOVUVDK-MJGOQNOKSA-N 1 0 378.394 3.624 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001136335210 897303275 /nfs/dbraw/zinc/30/32/75/897303275.db2.gz RUDIQQWVNXFGSU-PGRDOPGGSA-N 1 0 393.572 3.570 20 30 GHEDRO C=CC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001136335209 897303326 /nfs/dbraw/zinc/30/33/26/897303326.db2.gz RUDIQQWVNXFGSU-GCJKJVERSA-N 1 0 393.572 3.570 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NCc2ccon2)cc1 ZINC000131092193 897319740 /nfs/dbraw/zinc/31/97/40/897319740.db2.gz IOUPUIIOYKNCKF-UHFFFAOYSA-O 1 0 380.493 3.562 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)CNc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(OC)c1 ZINC000567892625 897472246 /nfs/dbraw/zinc/47/22/46/897472246.db2.gz AJKQEYGGVWVHND-IFMALSPDSA-N 1 0 396.531 3.824 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Cc4cccc(F)c4)CC3)C2=O)cc1 ZINC000568537024 897919154 /nfs/dbraw/zinc/91/91/54/897919154.db2.gz APIYCBBWAARNNW-JOCHJYFZSA-N 1 0 377.463 3.757 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000103236269 898075693 /nfs/dbraw/zinc/07/56/93/898075693.db2.gz YRQBBVLQNDKUPL-LJQANCHMSA-N 1 0 398.551 3.578 20 30 GHEDRO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000105718369 898229984 /nfs/dbraw/zinc/22/99/84/898229984.db2.gz RYEJINMAMANAIG-UHFFFAOYSA-N 1 0 397.910 3.777 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000106036310 898247432 /nfs/dbraw/zinc/24/74/32/898247432.db2.gz XLBHKNOWZNIRJL-UHFFFAOYSA-N 1 0 376.298 3.701 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000106039012 898248070 /nfs/dbraw/zinc/24/80/70/898248070.db2.gz KCFCSNRNCZNVGT-UHFFFAOYSA-N 1 0 383.517 3.771 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C1CCOCC1 ZINC000822301583 898312466 /nfs/dbraw/zinc/31/24/66/898312466.db2.gz XIWQCQUHDIJVAE-JOCHJYFZSA-N 1 0 383.536 3.511 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000569134170 898358525 /nfs/dbraw/zinc/35/85/25/898358525.db2.gz MMPWMGKBMBTYLI-ZBFHGGJFSA-N 1 0 382.426 3.969 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000043306981 898436403 /nfs/dbraw/zinc/43/64/03/898436403.db2.gz WDBUMYQRZKROIU-QFIPXVFZSA-N 1 0 392.503 3.545 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCc2ccccc21 ZINC000303070234 914259409 /nfs/dbraw/zinc/25/94/09/914259409.db2.gz ZYEYPHUUCFDUAS-NRFANRHFSA-N 1 0 377.444 3.855 20 30 GHEDRO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000569309942 898529184 /nfs/dbraw/zinc/52/91/84/898529184.db2.gz GBLJUROQEIZQKT-UHFFFAOYSA-N 1 0 378.524 3.852 20 30 GHEDRO N#CCCCN1CC[C@@]2(CC[N@@H+](CCc3c(Cl)cccc3Cl)C2)C1=O ZINC001276332015 914267094 /nfs/dbraw/zinc/26/70/94/914267094.db2.gz RLHDSBYDGDRIPV-LJQANCHMSA-N 1 0 380.319 3.764 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000569452068 898677449 /nfs/dbraw/zinc/67/74/49/898677449.db2.gz QPWCHVXHVPPRAP-CVDCTZTESA-N 1 0 390.531 3.947 20 30 GHEDRO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000569514277 898733601 /nfs/dbraw/zinc/73/36/01/898733601.db2.gz YUSXENCGWREYQK-NSHDSACASA-N 1 0 397.285 3.730 20 30 GHEDRO N#Cc1ccc(OC2CCN([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000569627794 898835223 /nfs/dbraw/zinc/83/52/23/898835223.db2.gz XGMOPMGSRFXHME-OAQYLSRUSA-N 1 0 395.890 3.860 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)C2 ZINC000884095766 898856859 /nfs/dbraw/zinc/85/68/59/898856859.db2.gz YYBAROPPRXDNIZ-NBZWYMSISA-N 1 0 397.881 3.824 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C2 ZINC000884100022 898868369 /nfs/dbraw/zinc/86/83/69/898868369.db2.gz HDWSBHNVIGVXAQ-URTYCYGZSA-N 1 0 385.920 3.746 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000331421925 898877775 /nfs/dbraw/zinc/87/77/75/898877775.db2.gz LSLJJBRXSMZJIO-OYNPSCLESA-N 1 0 383.536 3.658 20 30 GHEDRO N#CC1(NC(=O)C[NH+]2CCC(c3ccnc4ccccc43)CC2)CCCCC1 ZINC000569707107 898901765 /nfs/dbraw/zinc/90/17/65/898901765.db2.gz XYTJWDNNOJOJEM-UHFFFAOYSA-N 1 0 376.504 3.757 20 30 GHEDRO CC(C)(C)c1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(O)c(C(C)(C)C)c1 ZINC000113360832 898990134 /nfs/dbraw/zinc/99/01/34/898990134.db2.gz BAPOWENTUCZOJL-XUTLUUPISA-N 1 0 399.535 3.603 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1 ZINC000331625313 899034444 /nfs/dbraw/zinc/03/44/44/899034444.db2.gz RRIVSJLBVSGPRH-AIZKBTNYSA-N 1 0 397.563 3.812 20 30 GHEDRO C=CC[C@@]1(C(=O)NCC[N@H+]2CCCC[C@H]2CC)CCCN1C(=O)OC(C)(C)C ZINC001136732844 899088689 /nfs/dbraw/zinc/08/86/89/899088689.db2.gz HRUJJNHWXSZOGX-GCJKJVERSA-N 1 0 393.572 3.713 20 30 GHEDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC(F)F)c1 ZINC000570365667 899284259 /nfs/dbraw/zinc/28/42/59/899284259.db2.gz OJOKFRCWOCSQTN-UHFFFAOYSA-N 1 0 389.446 3.732 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000331952707 899288868 /nfs/dbraw/zinc/28/88/68/899288868.db2.gz REGPORCCZGSBNZ-ICSRJNTNSA-N 1 0 393.535 3.635 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000331952688 899289499 /nfs/dbraw/zinc/28/94/99/899289499.db2.gz REGPORCCZGSBNZ-AZUAARDMSA-N 1 0 393.535 3.635 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000824272610 899478048 /nfs/dbraw/zinc/47/80/48/899478048.db2.gz WFXGANAUZRBTAW-HFSMHLIXSA-N 1 0 390.487 3.716 20 30 GHEDRO Cc1occ(C(F)(F)F)c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000824254116 899496710 /nfs/dbraw/zinc/49/67/10/899496710.db2.gz XMSPZAFQXPTUPR-UHFFFAOYSA-N 1 0 391.393 3.873 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)c1C#N ZINC000570857059 899643263 /nfs/dbraw/zinc/64/32/63/899643263.db2.gz BRSDFNTXMZGQQU-BEFAXECRSA-N 1 0 386.540 3.513 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000570946260 899684806 /nfs/dbraw/zinc/68/48/06/899684806.db2.gz UGIQRAXAPKKWAU-FQEVSTJZSA-N 1 0 380.488 3.604 20 30 GHEDRO C=C(Br)CNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000824749469 899805110 /nfs/dbraw/zinc/80/51/10/899805110.db2.gz RWVSBCCZSIZDIA-UHFFFAOYSA-N 1 0 395.326 3.921 20 30 GHEDRO CC(C)c1c(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cnn1-c1ccc(Cl)cc1 ZINC000884327617 899809328 /nfs/dbraw/zinc/80/93/28/899809328.db2.gz YLEXGYOFGPWBDD-DBWCEAHUSA-N 1 0 397.910 3.727 20 30 GHEDRO COc1cc(Oc2ccccc2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884329477 899814741 /nfs/dbraw/zinc/81/47/41/899814741.db2.gz NJHOGBPMWDNIEW-BXFSZVDSSA-N 1 0 377.444 3.565 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000571432291 899864650 /nfs/dbraw/zinc/86/46/50/899864650.db2.gz AUHAFZARYDNZQN-QGZVFWFLSA-N 1 0 398.457 3.732 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000571441646 899870275 /nfs/dbraw/zinc/87/02/75/899870275.db2.gz YHOMUWQYYAPZAP-QZTJIDSGSA-N 1 0 391.490 3.850 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000571754124 899964747 /nfs/dbraw/zinc/96/47/47/899964747.db2.gz IKLDSBJQINQLGL-JRFVFWCSSA-N 1 0 377.532 3.644 20 30 GHEDRO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000571798383 899974266 /nfs/dbraw/zinc/97/42/66/899974266.db2.gz WYLJWAHMDLDPGS-RTBURBONSA-N 1 0 393.531 3.835 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000825226579 900035205 /nfs/dbraw/zinc/03/52/05/900035205.db2.gz KOONYWOCACENIO-INIZCTEOSA-N 1 0 375.472 3.523 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000333236742 900057676 /nfs/dbraw/zinc/05/76/76/900057676.db2.gz VPZZGRCPIAFJGR-VWEINGBSSA-N 1 0 398.551 3.620 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000825263315 900058054 /nfs/dbraw/zinc/05/80/54/900058054.db2.gz PTTGBOCUJJSQCD-YJBOKZPZSA-N 1 0 390.524 3.912 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000825269261 900064852 /nfs/dbraw/zinc/06/48/52/900064852.db2.gz HVSWJXPVMSWVRP-QUCCMNQESA-N 1 0 398.551 3.810 20 30 GHEDRO C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884418077 900070263 /nfs/dbraw/zinc/07/02/63/900070263.db2.gz YHWNKWDFGKNCIH-UPGJWOGWSA-N 1 0 387.527 3.786 20 30 GHEDRO C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884418075 900070339 /nfs/dbraw/zinc/07/03/39/900070339.db2.gz YHWNKWDFGKNCIH-ILNDBZFFSA-N 1 0 387.527 3.786 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000135324927 900223428 /nfs/dbraw/zinc/22/34/28/900223428.db2.gz POKROGLMRFGOMR-KRWDZBQOSA-N 1 0 388.487 3.848 20 30 GHEDRO N#Cc1nc(-c2ccccc2)c(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc1C#N ZINC001171094329 900286838 /nfs/dbraw/zinc/28/68/38/900286838.db2.gz HKCKOSMWENILEH-INIZCTEOSA-N 1 0 390.450 3.647 20 30 GHEDRO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2c(Cl)cccc2C#N)CC3)n1 ZINC001143723926 900442672 /nfs/dbraw/zinc/44/26/72/900442672.db2.gz TVRCJMIDXCLLPV-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO N#Cc1cccc(Cl)c1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001143722856 900442725 /nfs/dbraw/zinc/44/27/25/900442725.db2.gz JNAHROZLWGDPPL-IEBWSBKVSA-N 1 0 385.870 3.688 20 30 GHEDRO CON=Cc1ccc(C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000844043269 900466879 /nfs/dbraw/zinc/46/68/79/900466879.db2.gz ZWQSZIOHJUANLL-JOCHJYFZSA-N 1 0 379.504 3.792 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3sccc3Br)CC2)C1=O ZINC001275514503 914447145 /nfs/dbraw/zinc/44/71/45/914447145.db2.gz BMBIINBLYDRCMA-UHFFFAOYSA-N 1 0 383.355 3.901 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(C)(C)Sc1ccc(Cl)cc1 ZINC001275515347 914453156 /nfs/dbraw/zinc/45/31/56/914453156.db2.gz LHCUGSYBCHQAEW-QZTJIDSGSA-N 1 0 376.953 3.909 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3sccc3Br)CC2)C1=O ZINC001275516410 914463047 /nfs/dbraw/zinc/46/30/47/914463047.db2.gz YMWWGOONNCQWLY-KRWDZBQOSA-N 1 0 383.355 3.901 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCC1 ZINC000885983486 900666330 /nfs/dbraw/zinc/66/63/30/900666330.db2.gz HWMUDYUEDIYRTB-QFBILLFUSA-N 1 0 387.911 3.533 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCC1 ZINC000885983487 900666751 /nfs/dbraw/zinc/66/67/51/900666751.db2.gz HWMUDYUEDIYRTB-VQIMIIECSA-N 1 0 387.911 3.533 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC001143900960 900707909 /nfs/dbraw/zinc/70/79/09/900707909.db2.gz VPIJPOYRASXHMY-NRFANRHFSA-N 1 0 394.515 3.583 20 30 GHEDRO C[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371308 900737055 /nfs/dbraw/zinc/73/70/55/900737055.db2.gz MIFJFHLIJLOZOY-FXAWDEMLSA-N 1 0 387.524 3.561 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001171120817 900771348 /nfs/dbraw/zinc/77/13/48/900771348.db2.gz UIHRXFBMDVMBJY-IAGOWNOFSA-N 1 0 396.922 3.745 20 30 GHEDRO N#CC1(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC2(CC2)C1 ZINC001144034618 900987472 /nfs/dbraw/zinc/98/74/72/900987472.db2.gz DFLPJRPFSFQBSM-UHFFFAOYSA-N 1 0 379.548 3.921 20 30 GHEDRO C#CCN(C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000886580948 901176751 /nfs/dbraw/zinc/17/67/51/901176751.db2.gz DKFHAFBPGKBSAW-UHFFFAOYSA-N 1 0 385.508 3.512 20 30 GHEDRO C=CCCC[C@@H](COc1ccccc1)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000886649737 901208014 /nfs/dbraw/zinc/20/80/14/901208014.db2.gz HLRCSAZWSDXSRC-FTPFQEDHSA-N 1 0 377.550 3.736 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)n(-c2ccc(F)cc2)n1)C(C)C ZINC001144197484 901237970 /nfs/dbraw/zinc/23/79/70/901237970.db2.gz ITEUBBJWVJDIFW-OAQYLSRUSA-N 1 0 384.499 3.748 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000886708782 901238247 /nfs/dbraw/zinc/23/82/47/901238247.db2.gz CFJMWVGNUGASPZ-UHFFFAOYSA-N 1 0 378.520 3.688 20 30 GHEDRO C=C(C(=O)N(c1cc(OC)cc2cccnc21)[C@@H](C)CCC[NH3+])C(F)(F)F ZINC001144213197 901267218 /nfs/dbraw/zinc/26/72/18/901267218.db2.gz IPHNUPMGHIWVGO-LBPRGKRZSA-N 1 0 381.398 3.822 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)cc2)cc1 ZINC000886932980 901336436 /nfs/dbraw/zinc/33/64/36/901336436.db2.gz WDRQQHHIUAMFOO-HNNXBMFYSA-N 1 0 386.402 3.717 20 30 GHEDRO C#CCC1([NH2+]Cc2ccnc(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000887123478 901445644 /nfs/dbraw/zinc/44/56/44/901445644.db2.gz QSASFIGPASBWAF-UHFFFAOYSA-N 1 0 386.293 3.568 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(C(F)(F)F)c1 ZINC000575954563 901512712 /nfs/dbraw/zinc/51/27/12/901512712.db2.gz BKYIQBBZYBLFDB-APWZRJJASA-N 1 0 379.426 3.898 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2c3ccccc3CC23CCOCC3)c(C#N)c1C ZINC000290145369 914545923 /nfs/dbraw/zinc/54/59/23/914545923.db2.gz NCSHFDQPYKUSLW-YWZLYKJASA-N 1 0 393.487 3.779 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(C#N)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000576044503 901613683 /nfs/dbraw/zinc/61/36/83/901613683.db2.gz VUGPYDJTVCBTMM-UNMCSNQZSA-N 1 0 392.459 3.543 20 30 GHEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000576128517 901705212 /nfs/dbraw/zinc/70/52/12/901705212.db2.gz GANSRRLMHJVEGE-INIZCTEOSA-N 1 0 396.454 3.704 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+]2CCCc2ccc(Br)cc2)C1=O ZINC001275528791 914562733 /nfs/dbraw/zinc/56/27/33/914562733.db2.gz USKOOFDVFHPAIG-LJQANCHMSA-N 1 0 377.326 3.635 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC001144351062 901865132 /nfs/dbraw/zinc/86/51/32/901865132.db2.gz SAGGPLAQRYESSQ-IBGZPJMESA-N 1 0 397.441 3.556 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000123018516 901886033 /nfs/dbraw/zinc/88/60/33/901886033.db2.gz RQUPFTIDUACQSN-DYESRHJHSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000576327090 901951910 /nfs/dbraw/zinc/95/19/10/901951910.db2.gz HRLNRWNETUYIJE-GPXNEJASSA-N 1 0 375.516 3.551 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386752 901975235 /nfs/dbraw/zinc/97/52/35/901975235.db2.gz MUSOMSZRAIJXID-MOPGFXCFSA-N 1 0 385.426 3.985 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000576459032 902033871 /nfs/dbraw/zinc/03/38/71/902033871.db2.gz IFVAPFLEOXXKKR-OAHLLOKOSA-N 1 0 380.922 3.714 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001171178904 902121297 /nfs/dbraw/zinc/12/12/97/902121297.db2.gz LSOVDRISFIFRHJ-QYRPDUKASA-N 1 0 383.536 3.972 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001171178934 902122495 /nfs/dbraw/zinc/12/24/95/902122495.db2.gz MBEDPEUPPJPBMM-PXNSSMCTSA-N 1 0 399.535 3.637 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000576607778 902128224 /nfs/dbraw/zinc/12/82/24/902128224.db2.gz GQOPTNXQJYMSOU-FQEVSTJZSA-N 1 0 391.943 3.757 20 30 GHEDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@H](C)Cc3cccc(C#N)c3)cc2)CC1 ZINC001171190594 902254933 /nfs/dbraw/zinc/25/49/33/902254933.db2.gz WIXPJGQKTGPQKJ-NFAVZRQZSA-N 1 0 390.531 3.744 20 30 GHEDRO C[C@H](Oc1ccccc1)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001144505095 902285971 /nfs/dbraw/zinc/28/59/71/902285971.db2.gz TUYVFYYAHNQWET-YYWHXJBOSA-N 1 0 377.488 3.624 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+]CCN3C(=O)c4ccccc4C3=O)c2)s1 ZINC000775027460 914612424 /nfs/dbraw/zinc/61/24/24/914612424.db2.gz FZONBOMDANBNHT-UHFFFAOYSA-N 1 0 387.464 3.673 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)CC1 ZINC001171198369 902363177 /nfs/dbraw/zinc/36/31/77/902363177.db2.gz LGNNNSJTSUMGKQ-NPFVIJTESA-N 1 0 379.479 3.959 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1 ZINC001144572137 902403481 /nfs/dbraw/zinc/40/34/81/902403481.db2.gz RDZKUJFHUBAIRH-ZEQRLZLVSA-N 1 0 376.500 3.651 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc1 ZINC001144573995 902405324 /nfs/dbraw/zinc/40/53/24/902405324.db2.gz XHNFSJXYSZGWRA-VWLOTQADSA-N 1 0 385.511 3.659 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(F)c(OC)cc2OC)ccc1OC ZINC000845942105 902547190 /nfs/dbraw/zinc/54/71/90/902547190.db2.gz ZGVLMJRSRWEDTQ-INIZCTEOSA-N 1 0 388.439 3.822 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000466829123 914637976 /nfs/dbraw/zinc/63/79/76/914637976.db2.gz PAKDMLGMNHZPOM-UHFFFAOYSA-N 1 0 390.531 3.654 20 30 GHEDRO C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008181 902588639 /nfs/dbraw/zinc/58/86/39/902588639.db2.gz SUDDZPQCWDSEPB-QGZVFWFLSA-N 1 0 382.357 3.804 20 30 GHEDRO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)Cc2cn(CC3CC3)nc21 ZINC001171211356 902648686 /nfs/dbraw/zinc/64/86/86/902648686.db2.gz CQFQAUPJURSXTG-VGOFRKELSA-N 1 0 378.520 3.732 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC2CCOCC2)c1 ZINC000263904061 902665941 /nfs/dbraw/zinc/66/59/41/902665941.db2.gz DGWOIENWHUSPJX-UHFFFAOYSA-O 1 0 383.537 3.607 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001171209996 902669544 /nfs/dbraw/zinc/66/95/44/902669544.db2.gz OVLHCTUHWFGZKM-SFHVURJKSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000577365098 902715629 /nfs/dbraw/zinc/71/56/29/902715629.db2.gz QQHXBFRFQPBXEA-ZDUSSCGKSA-N 1 0 397.327 3.860 20 30 GHEDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H](C)Cc4cccc(C#N)c4)C3)CC2=O)s1 ZINC001171217286 902755465 /nfs/dbraw/zinc/75/54/65/902755465.db2.gz OPQVAHOFZCBZOS-OPAMFIHVSA-N 1 0 379.529 3.988 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)cc1 ZINC000577449623 902781762 /nfs/dbraw/zinc/78/17/62/902781762.db2.gz NHSNIQGJBKJVIU-IBGZPJMESA-N 1 0 377.488 3.850 20 30 GHEDRO Cc1cccc(NC(=O)Nc2cccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)c2)c1 ZINC000600716318 902839929 /nfs/dbraw/zinc/83/99/29/902839929.db2.gz JUEXXVZDEHBCGQ-FQEVSTJZSA-N 1 0 378.476 3.783 20 30 GHEDRO CCOc1ccc([C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c2ccccc2)cc1 ZINC000600717311 902840119 /nfs/dbraw/zinc/84/01/19/902840119.db2.gz KARWEBSDUODZBJ-GMAHTHKFSA-N 1 0 394.515 3.836 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(COCc3ccccc3)cc2)CCOCC1 ZINC000600717714 902840219 /nfs/dbraw/zinc/84/02/19/902840219.db2.gz MDWFHGTTXXGTKU-QHCPKHFHSA-N 1 0 394.515 3.564 20 30 GHEDRO COc1ccccc1Oc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600725394 902847644 /nfs/dbraw/zinc/84/76/44/902847644.db2.gz JISCSTDPCGXUDP-IBGZPJMESA-N 1 0 396.487 3.648 20 30 GHEDRO Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c(O[C@@H](C)CC(C)C)c1 ZINC000600728710 902850204 /nfs/dbraw/zinc/85/02/04/902850204.db2.gz BHKNRBOKKNHKOT-PZJWPPBQSA-N 1 0 388.552 3.969 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN([C@H](C)Cc4cccc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001171221539 902853581 /nfs/dbraw/zinc/85/35/81/902853581.db2.gz OSIAYQAEKYNCGA-WNOPAQSVSA-N 1 0 375.516 3.635 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CCOCC1 ZINC000600735136 902858114 /nfs/dbraw/zinc/85/81/14/902858114.db2.gz MRKXAWSFSMDXEV-HXUWFJFHSA-N 1 0 398.478 3.566 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC001171222003 902916253 /nfs/dbraw/zinc/91/62/53/902916253.db2.gz ZCZKNXPEUFPQQI-KRWDZBQOSA-N 1 0 377.463 3.757 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCc3c(CC#N)cccc3C2)[C@H](C(F)(F)F)C1 ZINC000600790174 902920346 /nfs/dbraw/zinc/92/03/46/902920346.db2.gz YCVUBSZHMOVPEB-QZTJIDSGSA-N 1 0 393.453 3.546 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)cc1 ZINC000846971705 903332792 /nfs/dbraw/zinc/33/27/92/903332792.db2.gz DPZIAGKCPLYBLU-VQTJNVASSA-N 1 0 376.504 3.823 20 30 GHEDRO N#Cc1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c2sccc21 ZINC000601119235 903354849 /nfs/dbraw/zinc/35/48/49/903354849.db2.gz VSSFYDSUDOELMD-UHFFFAOYSA-N 1 0 382.518 3.713 20 30 GHEDRO CC(C)n1c(Sc2ncc(C#N)c3ccsc32)nnc1C1CC[NH2+]CC1 ZINC000601119265 903355252 /nfs/dbraw/zinc/35/52/52/903355252.db2.gz WMJYVPBOUDLYJH-UHFFFAOYSA-N 1 0 384.534 3.959 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000601154319 903400948 /nfs/dbraw/zinc/40/09/48/903400948.db2.gz GZHWKRVCKSXAKM-OAHLLOKOSA-N 1 0 376.460 3.720 20 30 GHEDRO CCOC(=O)CCc1cccnc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171275535 903475986 /nfs/dbraw/zinc/47/59/86/903475986.db2.gz XJXUABHXKDNMSG-UHFFFAOYSA-N 1 0 392.503 3.548 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000134213934 903481790 /nfs/dbraw/zinc/48/17/90/903481790.db2.gz WDXRMMGLQZQQQV-IBGZPJMESA-O 1 0 397.564 3.997 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)C(C)C ZINC000171980523 903495424 /nfs/dbraw/zinc/49/54/24/903495424.db2.gz YPAADWWDMOYIAZ-LJQANCHMSA-N 1 0 384.549 3.963 20 30 GHEDRO CCOC(=O)COc1ccccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277024 903536795 /nfs/dbraw/zinc/53/67/95/903536795.db2.gz HVZNZJPIMIUOKG-UHFFFAOYSA-N 1 0 393.487 3.599 20 30 GHEDRO N#CC1(Nc2cccnc2OCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC001171277451 903541838 /nfs/dbraw/zinc/54/18/38/903541838.db2.gz MUOIXVDYJQUPFU-UHFFFAOYSA-N 1 0 390.409 3.993 20 30 GHEDRO COC(=O)c1c(C)cc(F)cc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277943 903559952 /nfs/dbraw/zinc/55/99/52/903559952.db2.gz TXASCHKXPZTJEV-UHFFFAOYSA-N 1 0 381.451 3.891 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)cc1 ZINC000159553673 903564656 /nfs/dbraw/zinc/56/46/56/903564656.db2.gz ADDDPCHJLMZKDH-UHFFFAOYSA-N 1 0 385.439 3.701 20 30 GHEDRO CCc1ccc([C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)N(CC)CC)cc1 ZINC000578199630 903607050 /nfs/dbraw/zinc/60/70/50/903607050.db2.gz QGZAIHSPABFFAV-JOCHJYFZSA-N 1 0 375.520 3.941 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136523184 903789491 /nfs/dbraw/zinc/78/94/91/903789491.db2.gz UFJBAGBCRMYUDF-LJQANCHMSA-O 1 0 397.564 3.773 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)ccc1OC ZINC000772983813 903874606 /nfs/dbraw/zinc/87/46/06/903874606.db2.gz ARDNTIZZIHXRPM-CSLYMUCUSA-N 1 0 386.414 3.702 20 30 GHEDRO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CCCN(c3ccc(C#N)cn3)CC1)CC2 ZINC001171318987 903968319 /nfs/dbraw/zinc/96/83/19/903968319.db2.gz BUTCWUJGXQHYNY-QGZVFWFLSA-N 1 0 396.922 3.685 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000150801978 904026030 /nfs/dbraw/zinc/02/60/30/904026030.db2.gz LILWMABWEDPFPQ-IBGZPJMESA-N 1 0 393.487 3.821 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000303404852 914774690 /nfs/dbraw/zinc/77/46/90/914774690.db2.gz POYIUCXKNDHVFG-UHFFFAOYSA-N 1 0 395.425 3.712 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N ZINC000578682694 904048028 /nfs/dbraw/zinc/04/80/28/904048028.db2.gz UOLPAYYPUDAABA-VHKYSDTDSA-N 1 0 382.895 3.574 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750536 904095417 /nfs/dbraw/zinc/09/54/17/904095417.db2.gz CGQCHOFEBZUDIK-OAQYLSRUSA-N 1 0 377.488 3.800 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCC(=O)N3CCCCC3)c2)c1 ZINC000048745503 904095517 /nfs/dbraw/zinc/09/55/17/904095517.db2.gz UVYMXIGSJDDMHB-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccc(OC(F)(F)F)cc1 ZINC001148675296 904151906 /nfs/dbraw/zinc/15/19/06/904151906.db2.gz SOMXFBKQBCHDSJ-MRXNPFEDSA-N 1 0 393.365 3.769 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000151616367 904167654 /nfs/dbraw/zinc/16/76/54/904167654.db2.gz JELYIAJKVFGEDW-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(NC[C@H]2CCC(=O)N(Cc3ccccc3)C2)cc1C#N ZINC001171526764 904806513 /nfs/dbraw/zinc/80/65/13/904806513.db2.gz AGZWDWPAUONMGQ-VKELSTCCSA-N 1 0 389.503 3.630 20 30 GHEDRO CSc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1C#N ZINC000890451626 905059331 /nfs/dbraw/zinc/05/93/31/905059331.db2.gz AVRAJAZWZKLFDX-UHFFFAOYSA-N 1 0 388.562 3.615 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001171841352 905091093 /nfs/dbraw/zinc/09/10/93/905091093.db2.gz NOJAOQDNSVFYIT-HKBOAZHASA-N 1 0 388.552 3.771 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000173695003 905095575 /nfs/dbraw/zinc/09/55/75/905095575.db2.gz WAUZIAYTUURTGY-MRXNPFEDSA-N 1 0 383.517 3.812 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171926826 905181990 /nfs/dbraw/zinc/18/19/90/905181990.db2.gz PVVGGAGEIBVGOC-OKYOFGHESA-N 1 0 379.541 3.713 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)cc1C#N ZINC001203339125 905347027 /nfs/dbraw/zinc/34/70/27/905347027.db2.gz LTWWBFRZNGSODK-AXUOBQJMSA-N 1 0 385.508 3.833 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172211340 905411513 /nfs/dbraw/zinc/41/15/13/905411513.db2.gz WASLNVZTMLSAOG-FUHYEJFZSA-N 1 0 390.955 3.933 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001172303343 905456590 /nfs/dbraw/zinc/45/65/90/905456590.db2.gz CDZVVBKWJXOIBP-UCFCWBNQSA-N 1 0 391.515 3.834 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC001172305933 905461178 /nfs/dbraw/zinc/46/11/78/905461178.db2.gz HNOSIHOOSCTDIY-CVDCTZTESA-N 1 0 387.527 3.970 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001172305796 905461636 /nfs/dbraw/zinc/46/16/36/905461636.db2.gz GDBDDTIKOCILRQ-IQGLISFBSA-N 1 0 385.511 3.890 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001172305788 905461762 /nfs/dbraw/zinc/46/17/62/905461762.db2.gz GDBDDTIKOCILRQ-AVRWGWEMSA-N 1 0 385.511 3.890 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001172308947 905465710 /nfs/dbraw/zinc/46/57/10/905465710.db2.gz PXQBKVMMCDMOAK-KKPKCPPISA-N 1 0 388.515 3.531 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001172309256 905467474 /nfs/dbraw/zinc/46/74/74/905467474.db2.gz SAMWQJPPFZBUIP-OFAXGOBFSA-N 1 0 377.488 3.587 20 30 GHEDRO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312977 905469060 /nfs/dbraw/zinc/46/90/60/905469060.db2.gz NBWPXTFPDAHRRM-YKSBVNFPSA-N 1 0 377.532 3.712 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001172291067 905480314 /nfs/dbraw/zinc/48/03/14/905480314.db2.gz VWPRXRNJVQBOJD-INIZCTEOSA-N 1 0 375.488 3.818 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(C(=O)c2ccccc2F)CC1 ZINC001172297646 905484279 /nfs/dbraw/zinc/48/42/79/905484279.db2.gz GVEQIVLFOFYRBN-KRWDZBQOSA-N 1 0 379.479 3.770 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC#N ZINC000175289262 905507789 /nfs/dbraw/zinc/50/77/89/905507789.db2.gz RCVCJRXVWBJOJV-FQEVSTJZSA-N 1 0 377.488 3.573 20 30 GHEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2C[C@H](COCC(=O)N(C)C)C1 ZINC001172359390 905528575 /nfs/dbraw/zinc/52/85/75/905528575.db2.gz WGKDVRFQDKUTRF-UXHICEINSA-N 1 0 392.588 3.559 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001172489459 905595873 /nfs/dbraw/zinc/59/58/73/905595873.db2.gz SKTWGTBPICYNTH-GOSISDBHSA-N 1 0 386.540 3.916 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC(c2nc3ccc(Br)cn3n2)CC1 ZINC001172496795 905598456 /nfs/dbraw/zinc/59/84/56/905598456.db2.gz QXPRWUINFBWUNN-CYBMUJFWSA-N 1 0 376.302 3.754 20 30 GHEDRO COc1cccc(NC(=O)c2nc3c(s2)CC[N@@H+]([C@@H](C)CCCC#N)CC3)c1 ZINC001172494164 905598516 /nfs/dbraw/zinc/59/85/16/905598516.db2.gz FYPHQFRGMACTIY-HNNXBMFYSA-N 1 0 398.532 3.887 20 30 GHEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001172511203 905605541 /nfs/dbraw/zinc/60/55/41/905605541.db2.gz NVSRRKSBLNKKIB-XRXFAXGQSA-N 1 0 380.573 3.606 20 30 GHEDRO CCCC[C@@H]1C[C@H](NC(=[NH2+])c2ccc(F)cn2)CCN1C(=O)OC(C)(C)C ZINC001172634425 905695576 /nfs/dbraw/zinc/69/55/76/905695576.db2.gz KMKKKVBHNLPPET-HZPDHXFCSA-N 1 0 378.492 3.884 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+]([C@H]3CCN(Cc4ccccc4)C(=O)C3)C2)cc1 ZINC001172689414 905740933 /nfs/dbraw/zinc/74/09/33/905740933.db2.gz VRVVTQJRJMFOOF-GMAHTHKFSA-N 1 0 389.499 3.593 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4Cc5ccc(Cl)cc5C4)C3)CC2=O)c1 ZINC001172718094 905769024 /nfs/dbraw/zinc/76/90/24/905769024.db2.gz JHZOAMCVYLCVCU-JTHBVZDNSA-N 1 0 391.902 3.808 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000628190881 906004536 /nfs/dbraw/zinc/00/45/36/906004536.db2.gz TVAJWRYTWTWGRI-QXAKKESOSA-N 1 0 394.943 3.597 20 30 GHEDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172967471 906028390 /nfs/dbraw/zinc/02/83/90/906028390.db2.gz XTAKRHDWBZACGE-FHWLQOOXSA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2cc(CC[NH3+])c3ccc(F)cc32)C[C@H]1C#N ZINC001172968129 906029545 /nfs/dbraw/zinc/02/95/45/906029545.db2.gz JARMDHOTZFOZGD-IRXDYDNUSA-N 1 0 386.471 3.746 20 30 GHEDRO CCCC[NH+](CCCC)CCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968297 906029801 /nfs/dbraw/zinc/02/98/01/906029801.db2.gz KLPYFFZLDCHGNA-OALUTQOASA-N 1 0 380.577 3.770 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H]1C#N ZINC001172969037 906030660 /nfs/dbraw/zinc/03/06/60/906030660.db2.gz VGFBZTVCZIAQCR-RTWAWAEBSA-N 1 0 398.551 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2N2CCCC2)C[C@H]1C#N ZINC001172970932 906033181 /nfs/dbraw/zinc/03/31/81/906033181.db2.gz KJTTVNJCRDFNKJ-OALUTQOASA-N 1 0 384.524 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cc(F)cc32)C[C@H]1C#N ZINC001172977944 906044373 /nfs/dbraw/zinc/04/43/73/906044373.db2.gz JQPMCWSLWDFZCH-KEYYUXOJSA-N 1 0 393.434 3.670 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3ncccn3)cc2)C[C@H]1C#N ZINC001172978358 906046432 /nfs/dbraw/zinc/04/64/32/906046432.db2.gz PHGWSVXNVPADQL-OALUTQOASA-N 1 0 393.491 3.525 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172984476 906049089 /nfs/dbraw/zinc/04/90/89/906049089.db2.gz LNWLNGNHQQIISX-NRSPTQNISA-N 1 0 398.551 3.657 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@H](Oc3ccccc3)C2)C[C@H]1C#N ZINC001172984537 906049434 /nfs/dbraw/zinc/04/94/34/906049434.db2.gz LXWPHVGGVRFQCM-HBFSDRIKSA-N 1 0 385.508 3.821 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C[C@H]1C#N ZINC001172982857 906049955 /nfs/dbraw/zinc/04/99/55/906049955.db2.gz GWNAXQOOLBUSJC-DEYYWGMASA-N 1 0 377.435 3.833 20 30 GHEDRO COc1cccc(CCC[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172992570 906103146 /nfs/dbraw/zinc/10/31/46/906103146.db2.gz ZONXPZMMDAYTAM-OALUTQOASA-N 1 0 387.524 3.851 20 30 GHEDRO COc1cccc(CCC[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172992568 906103737 /nfs/dbraw/zinc/10/37/37/906103737.db2.gz ZONXPZMMDAYTAM-MOPGFXCFSA-N 1 0 387.524 3.851 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCOC[C@H]2C2CCCCC2)C[C@H]1C#N ZINC001172993759 906105265 /nfs/dbraw/zinc/10/52/65/906105265.db2.gz PRGKKTHXAXSBNK-FHWLQOOXSA-N 1 0 377.529 3.559 20 30 GHEDRO COc1ccc2c(c1)C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CCC2 ZINC001172994049 906105386 /nfs/dbraw/zinc/10/53/86/906105386.db2.gz QOIUVUMNFSERSJ-OALUTQOASA-N 1 0 385.508 3.735 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177355299 906114096 /nfs/dbraw/zinc/11/40/96/906114096.db2.gz QHDITKPNGZMUSC-UHFFFAOYSA-N 1 0 381.476 3.735 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCSc4c(F)cccc43)C2=O)cc1 ZINC000190624423 906184504 /nfs/dbraw/zinc/18/45/04/906184504.db2.gz MZCVZNBBJUZEEJ-RTBURBONSA-N 1 0 381.476 3.625 20 30 GHEDRO CCCCCCC[C@H](C)C[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000779339795 906317187 /nfs/dbraw/zinc/31/71/87/906317187.db2.gz FFBPLAVNOZRRHU-INIZCTEOSA-N 1 0 398.617 3.766 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC1 ZINC001173320631 906368814 /nfs/dbraw/zinc/36/88/14/906368814.db2.gz QDLFWWWPOSBQRE-CWZMJNCASA-N 1 0 390.474 3.907 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001173324767 906372593 /nfs/dbraw/zinc/37/25/93/906372593.db2.gz SZQIARTXCZNLJI-YDPRHXJPSA-N 1 0 386.511 3.764 20 30 GHEDRO Cc1cccc(Cn2c(=O)ccc3c2CC[C@@H]([NH2+]C2CCC(CC#N)CC2)C3)n1 ZINC001173325121 906373557 /nfs/dbraw/zinc/37/35/57/906373557.db2.gz CYZKSEVZHULMJN-DQVLVPHSSA-N 1 0 390.531 3.519 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@H](C[NH2+]C3CCC(CC#N)CC3)O2)CC1 ZINC001173325855 906373640 /nfs/dbraw/zinc/37/36/40/906373640.db2.gz OZLBSXLDTIUIJO-CTWPCTMYSA-N 1 0 391.556 3.997 20 30 GHEDRO N#CCC1CCC([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC001173328113 906376142 /nfs/dbraw/zinc/37/61/42/906376142.db2.gz OANRYAXGHQOHLK-LDZOIKDWSA-N 1 0 397.338 3.730 20 30 GHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173374657 906403715 /nfs/dbraw/zinc/40/37/15/906403715.db2.gz QIQHKNPTDOFLMQ-NCOADZHNSA-N 1 0 380.529 3.737 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001173375974 906405478 /nfs/dbraw/zinc/40/54/78/906405478.db2.gz BAIYWWIPGNWGMA-YRXWBPOGSA-N 1 0 391.552 3.800 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH+]2CCC(S)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001173378813 906410807 /nfs/dbraw/zinc/41/08/07/906410807.db2.gz LYIPYBFKUVSEOY-UAGQMJEPSA-N 1 0 399.597 3.849 20 30 GHEDRO Cc1ccccc1OC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426108 906461317 /nfs/dbraw/zinc/46/13/17/906461317.db2.gz OSAZFCNWUXWPMF-SFHVURJKSA-N 1 0 377.488 3.528 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](c3ccnc(Cl)c3)C3CC3)CC2)cc1 ZINC001173427480 906463409 /nfs/dbraw/zinc/46/34/09/906463409.db2.gz XGKUZAALJPIPQG-OAQYLSRUSA-N 1 0 394.906 3.952 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](c3ccc(Cl)cn3)C3CC3)CC2)cc1 ZINC001173428398 906465098 /nfs/dbraw/zinc/46/50/98/906465098.db2.gz IOAHAYRJYGLMRM-NRFANRHFSA-N 1 0 394.906 3.952 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC001173429566 906466880 /nfs/dbraw/zinc/46/68/80/906466880.db2.gz ZONPKONAGITALV-NHCUHLMSSA-N 1 0 379.891 3.962 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](C3Cc4cc(F)c(F)cc4C3)CC2)cc1 ZINC001173482073 906480790 /nfs/dbraw/zinc/48/07/90/906480790.db2.gz UZMQXBNJWQDCNH-UHFFFAOYSA-N 1 0 396.441 3.590 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173520267 906521611 /nfs/dbraw/zinc/52/16/11/906521611.db2.gz ONGNNUAISQINDG-FCHUYYIVSA-N 1 0 392.499 3.521 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCC3(C[C@@H]3C(=O)OCC)CC1)C2 ZINC001173613811 906540016 /nfs/dbraw/zinc/54/00/16/906540016.db2.gz YNDXVEUUHJELSW-XZNCIRBXSA-N 1 0 391.552 3.572 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)CCO2 ZINC001173586791 906544860 /nfs/dbraw/zinc/54/48/60/906544860.db2.gz GZDZGVCOHKQITG-HPAHXVRCSA-N 1 0 377.529 3.607 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)CC1 ZINC001173594860 906548912 /nfs/dbraw/zinc/54/89/12/906548912.db2.gz MZGKYRUHISQCOX-ZWDXQAFOSA-N 1 0 383.536 3.942 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)ccc1OC ZINC000191032326 906552657 /nfs/dbraw/zinc/55/26/57/906552657.db2.gz WPOSKIOYCKPAAL-LJQANCHMSA-N 1 0 382.508 3.906 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)CC2 ZINC001173626264 906575127 /nfs/dbraw/zinc/57/51/27/906575127.db2.gz IFAAYKCHOZFUII-VRCACPIISA-N 1 0 382.504 3.913 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179753362 906584964 /nfs/dbraw/zinc/58/49/64/906584964.db2.gz SMVVTPKRBJEJGP-UHFFFAOYSA-N 1 0 394.519 3.704 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000180098009 906690258 /nfs/dbraw/zinc/69/02/58/906690258.db2.gz SHNOFPYVGSEUSM-QGZVFWFLSA-N 1 0 378.476 3.895 20 30 GHEDRO Cn1cc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1C#N ZINC000191200907 906735038 /nfs/dbraw/zinc/73/50/38/906735038.db2.gz KURDBIDYZHCMIO-UHFFFAOYSA-N 1 0 376.426 3.623 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c(C#N)c1C ZINC000180845023 906860249 /nfs/dbraw/zinc/86/02/49/906860249.db2.gz JQUZVHMKTRIRLE-CQSZACIVSA-N 1 0 379.489 3.712 20 30 GHEDRO CC(C)C(=O)Nc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181426405 906997863 /nfs/dbraw/zinc/99/78/63/906997863.db2.gz WWJRLDBDPPBVGQ-UHFFFAOYSA-N 1 0 390.531 3.907 20 30 GHEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001174574483 907091963 /nfs/dbraw/zinc/09/19/63/907091963.db2.gz LTFPRXRAPHFAQE-GOTSBHOMSA-N 1 0 391.515 3.615 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777382587 907157799 /nfs/dbraw/zinc/15/77/99/907157799.db2.gz OXDJHBVZHBVGRS-UHFFFAOYSA-N 1 0 375.516 3.666 20 30 GHEDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccc(C#N)c2)NC(=O)OC(C)(C)C)cc1 ZINC000773410215 907242772 /nfs/dbraw/zinc/24/27/72/907242772.db2.gz UIGFJPCCGCXESY-NRFANRHFSA-N 1 0 394.519 3.980 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000192058537 907379448 /nfs/dbraw/zinc/37/94/48/907379448.db2.gz UGZJFPDQMFBUMO-FUHWJXTLSA-N 1 0 389.908 3.948 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000183516824 907403390 /nfs/dbraw/zinc/40/33/90/907403390.db2.gz YKIUQVDEZAEDPQ-UHFFFAOYSA-N 1 0 382.455 3.841 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001175533358 907609076 /nfs/dbraw/zinc/60/90/76/907609076.db2.gz VBCSTGIYEWGRIU-IBGZPJMESA-N 1 0 387.405 3.857 20 30 GHEDRO N#Cc1cnn(C2CCOCC2)c1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175799340 907725531 /nfs/dbraw/zinc/72/55/31/907725531.db2.gz IKLHGWXZRZXORU-UHFFFAOYSA-N 1 0 395.507 3.715 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3cc(Br)cnc3C#N)cc2)CC1 ZINC001175779842 907740195 /nfs/dbraw/zinc/74/01/95/907740195.db2.gz ZMBYHXBZMXWKCU-UHFFFAOYSA-N 1 0 386.297 3.601 20 30 GHEDRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000185742300 907828754 /nfs/dbraw/zinc/82/87/54/907828754.db2.gz UMEOHFFGACTMAX-SLFFLAALSA-N 1 0 382.552 3.564 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)[n+]1cccc(C)c1 ZINC000186962419 908012689 /nfs/dbraw/zinc/01/26/89/908012689.db2.gz AFNASOLXNGNACA-BBWFWOEESA-O 1 0 384.525 3.604 20 30 GHEDRO C#CC[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCCc2ccccc21 ZINC001176453790 908118005 /nfs/dbraw/zinc/11/80/05/908118005.db2.gz XYSARZQFLFZLQU-TZIWHRDSSA-N 1 0 384.520 3.635 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000188666873 908237669 /nfs/dbraw/zinc/23/76/69/908237669.db2.gz LSVXPQUSAVTKAH-IBGZPJMESA-N 1 0 399.539 3.884 20 30 GHEDRO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc21 ZINC000190622625 908510037 /nfs/dbraw/zinc/51/00/37/908510037.db2.gz WFFYVWYUURKXPA-HNAYVOBHSA-N 1 0 389.455 3.765 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)ccc1OCc1ccncc1 ZINC000190791326 908528419 /nfs/dbraw/zinc/52/84/19/908528419.db2.gz BDVOHUHKKHIHAW-MRXNPFEDSA-N 1 0 376.460 3.730 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000191793258 908673287 /nfs/dbraw/zinc/67/32/87/908673287.db2.gz XWWGDXVZELPFBC-HNNXBMFYSA-N 1 0 396.292 3.743 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1C ZINC000773698793 908696661 /nfs/dbraw/zinc/69/66/61/908696661.db2.gz CBJZXHFREPMMCD-RTWAWAEBSA-N 1 0 383.536 3.689 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192129197 908726864 /nfs/dbraw/zinc/72/68/64/908726864.db2.gz BSRSSDHMSNPIDH-QFBILLFUSA-N 1 0 391.805 3.548 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2OCC#N)c2ccccc2)CC1 ZINC000194192636 908866531 /nfs/dbraw/zinc/86/65/31/908866531.db2.gz ILAZYNKENXFNPA-OAQYLSRUSA-N 1 0 377.488 3.792 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1OC ZINC001178175932 908925018 /nfs/dbraw/zinc/92/50/18/908925018.db2.gz DRUBRIFSKNPRQY-OAQYLSRUSA-N 1 0 394.515 3.583 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(C)CCOCC2)cc1OC ZINC001178209637 908942362 /nfs/dbraw/zinc/94/23/62/908942362.db2.gz ZPGXDYGIAHSFES-UHFFFAOYSA-N 1 0 384.314 3.929 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001178382348 909024437 /nfs/dbraw/zinc/02/44/37/909024437.db2.gz FTKFYWYRLKDQID-QGZVFWFLSA-N 1 0 378.900 3.745 20 30 GHEDRO C[C@H]1C[NH+](CCCNc2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H](C)O1 ZINC000195664087 909029120 /nfs/dbraw/zinc/02/91/20/909029120.db2.gz TYCMGQFUMAOWFE-STQMWFEESA-N 1 0 376.863 3.810 20 30 GHEDRO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)nc[nH]c3=O)C2 ZINC001111409377 909069421 /nfs/dbraw/zinc/06/94/21/909069421.db2.gz SDXHVFREXFYNEK-AHRSYUTCSA-N 1 0 382.508 3.641 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)c(OCC=C)c(OCC)c1)[C@H]1CCCO1 ZINC001178528519 909089721 /nfs/dbraw/zinc/08/97/21/909089721.db2.gz MJHGZTPYDNWMFP-DLBZAZTESA-N 1 0 394.309 3.683 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C#Cc1ccc(F)cc1F ZINC001178574658 909129395 /nfs/dbraw/zinc/12/93/95/909129395.db2.gz WPLHTLVKOLOQSX-OAQYLSRUSA-N 1 0 382.454 3.733 20 30 GHEDRO C#CCN(C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001178826570 909249345 /nfs/dbraw/zinc/24/93/45/909249345.db2.gz FOCDMWWAEZGLMI-UHFFFAOYSA-N 1 0 378.545 3.705 20 30 GHEDRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c21 ZINC000299595692 921495060 /nfs/dbraw/zinc/49/50/60/921495060.db2.gz FKDKMVYZKBSKNH-UHFFFAOYSA-N 1 0 383.496 3.531 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000267371177 909470055 /nfs/dbraw/zinc/47/00/55/909470055.db2.gz KFWMDAWRROIQKO-PGRDOPGGSA-N 1 0 376.504 3.610 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC001179559310 909594501 /nfs/dbraw/zinc/59/45/01/909594501.db2.gz DWZVNNYMJSVLFF-TZMCWYRMSA-N 1 0 377.204 3.910 20 30 GHEDRO N#Cc1cc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1F ZINC000366339764 921514622 /nfs/dbraw/zinc/51/46/22/921514622.db2.gz MBXIDWCWCTXULS-UHFFFAOYSA-N 1 0 384.377 3.624 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)CC1 ZINC000267989145 909725813 /nfs/dbraw/zinc/72/58/13/909725813.db2.gz QPXMISIDUCSITQ-HSZRJFAPSA-N 1 0 376.500 3.637 20 30 GHEDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000245732981 909867307 /nfs/dbraw/zinc/86/73/07/909867307.db2.gz CPNWXYUCSFLHMM-GCJKJVERSA-N 1 0 397.494 3.825 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NCCSC)cc1 ZINC000269706102 910337768 /nfs/dbraw/zinc/33/77/68/910337768.db2.gz OKMKHEULTSXFMS-UHFFFAOYSA-O 1 0 391.557 3.957 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1C#N ZINC000269819709 910360511 /nfs/dbraw/zinc/36/05/11/910360511.db2.gz IEJFAXHYNPZCCP-UHFFFAOYSA-N 1 0 387.484 3.511 20 30 GHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000270369369 910537379 /nfs/dbraw/zinc/53/73/79/910537379.db2.gz TVZVMKBJLFNQJW-IBGZPJMESA-N 1 0 398.470 3.931 20 30 GHEDRO CCCCCCC[C@@H](C)C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001181112406 910543558 /nfs/dbraw/zinc/54/35/58/910543558.db2.gz ONTPJUCUJQVLKJ-MRXNPFEDSA-N 1 0 385.512 3.640 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001181123768 910557737 /nfs/dbraw/zinc/55/77/37/910557737.db2.gz XSOOIEGUVYXJLX-IBGZPJMESA-N 1 0 379.589 3.528 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnc([C@H]4CCCO4)s3)CC2)nc1 ZINC000271071524 910775256 /nfs/dbraw/zinc/77/52/56/910775256.db2.gz NTKISXXCXZBJGB-LEOMRAHMSA-N 1 0 384.505 3.741 20 30 GHEDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000271172728 910801839 /nfs/dbraw/zinc/80/18/39/910801839.db2.gz DIMWGZZRUSCGLQ-IBGZPJMESA-N 1 0 387.524 3.506 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000299712591 921611635 /nfs/dbraw/zinc/61/16/35/921611635.db2.gz QQFNAQNWPWCCHQ-ZDUSSCGKSA-N 1 0 396.516 3.746 20 30 GHEDRO C#CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000091918780 911333394 /nfs/dbraw/zinc/33/33/94/911333394.db2.gz YOBXUVXTPHBZOB-UHFFFAOYSA-N 1 0 378.472 3.558 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)nc1 ZINC000092005222 911363729 /nfs/dbraw/zinc/36/37/29/911363729.db2.gz FCDWTSBKAWQVSE-HXUWFJFHSA-N 1 0 391.519 3.591 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000092534674 911602007 /nfs/dbraw/zinc/60/20/07/911602007.db2.gz GUPAPZVXCNCBCL-UHFFFAOYSA-N 1 0 390.527 3.756 20 30 GHEDRO Cn1ccnc1[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCOCC1 ZINC000284522446 911907687 /nfs/dbraw/zinc/90/76/87/911907687.db2.gz DZJRPOQLGLVHQY-QKDPSFTKSA-N 1 0 378.520 3.882 20 30 GHEDRO C[C@@H]1[C@@H](CC(=O)Nc2[nH]cnc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186933430 914881875 /nfs/dbraw/zinc/88/18/75/914881875.db2.gz CIPSVPSMVKDDBR-APWZRJJASA-N 1 0 385.471 3.720 20 30 GHEDRO C[C@H]1[C@H](CC(=O)Nc2cnc(C#N)cn2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186934461 914882891 /nfs/dbraw/zinc/88/28/91/914882891.db2.gz DODSYEKXXBSYOV-FXAWDEMLSA-N 1 0 397.482 3.787 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008395 921744673 /nfs/dbraw/zinc/74/46/73/921744673.db2.gz DIXSDOSDZLICMB-JOCHJYFZSA-N 1 0 385.508 3.790 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc1 ZINC000303788728 915128783 /nfs/dbraw/zinc/12/87/83/915128783.db2.gz UONQGRSOVCUDHU-NRFANRHFSA-N 1 0 382.508 3.658 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000303868689 915226871 /nfs/dbraw/zinc/22/68/71/915226871.db2.gz DLGMBHXPIQEGNG-UHFFFAOYSA-N 1 0 380.492 3.918 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000303874823 915233786 /nfs/dbraw/zinc/23/37/86/915233786.db2.gz HJTRYZDZVBIANT-OAQYLSRUSA-N 1 0 394.519 3.646 20 30 GHEDRO COc1ccc(CCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000303876217 915235366 /nfs/dbraw/zinc/23/53/66/915235366.db2.gz HYDZBTQZNGVQIZ-UHFFFAOYSA-N 1 0 397.397 3.962 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000303880993 915295280 /nfs/dbraw/zinc/29/52/80/915295280.db2.gz KMAIBCFNVPZOLE-KRWDZBQOSA-N 1 0 395.425 3.995 20 30 GHEDRO COc1ccc(-n2ccc(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)n2)cc1 ZINC000303897351 915302666 /nfs/dbraw/zinc/30/26/66/915302666.db2.gz UYEIQJZDNNSVEM-UHFFFAOYSA-N 1 0 379.464 3.595 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC2(c3ccccc3)CCOCC2)c1 ZINC000303902638 915304825 /nfs/dbraw/zinc/30/48/25/915304825.db2.gz XYTDBNLNPQKDRA-UHFFFAOYSA-N 1 0 397.519 3.959 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[NH2+][C@H]3C2)cc1OCC ZINC000647533394 915317201 /nfs/dbraw/zinc/31/72/01/915317201.db2.gz QWJCUWYVXWWXNH-WBVHZDCISA-N 1 0 395.341 3.596 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCCNC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000303978857 915347233 /nfs/dbraw/zinc/34/72/33/915347233.db2.gz MPQBWSFUDHEFMT-CYBMUJFWSA-N 1 0 393.318 3.779 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000303989766 915349855 /nfs/dbraw/zinc/34/98/55/915349855.db2.gz XVAYMWCYEKRRFR-FQEVSTJZSA-N 1 0 386.927 3.703 20 30 GHEDRO [NH2+]=C(NCc1cc(-c2ccccc2)on1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304498782 915525354 /nfs/dbraw/zinc/52/53/54/915525354.db2.gz OOBLSVAFJXIIFA-UHFFFAOYSA-N 1 0 390.365 3.845 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(OC)cc1OC)C(=S)NC1CCC1 ZINC000292233256 915573852 /nfs/dbraw/zinc/57/38/52/915573852.db2.gz BENUUABDWBBMEO-UHFFFAOYSA-O 1 0 399.536 3.635 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC2CCC2)cc1 ZINC000292366010 915637925 /nfs/dbraw/zinc/63/79/25/915637925.db2.gz RRJWCSSZYVCPAE-UHFFFAOYSA-O 1 0 384.481 3.580 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001188012964 915705697 /nfs/dbraw/zinc/70/56/97/915705697.db2.gz LWVCANMTROLCBV-UHFFFAOYSA-N 1 0 381.586 3.536 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001188030758 915724019 /nfs/dbraw/zinc/72/40/19/915724019.db2.gz UJACTFZGKLDMEZ-UHFFFAOYSA-N 1 0 396.597 3.940 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](CNC(=[NH2+])Nc3cc(C)cc(C)c3)C2)c1 ZINC000305013658 915835751 /nfs/dbraw/zinc/83/57/51/915835751.db2.gz LGPZPYNKRRPEPX-KRWDZBQOSA-N 1 0 382.508 3.574 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000366892365 921801885 /nfs/dbraw/zinc/80/18/85/921801885.db2.gz IZVDHFOBPUQRRG-UHFFFAOYSA-N 1 0 375.944 3.948 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C)cc2O[C@H]2CCOC2)cc1Cl ZINC000305061825 915879764 /nfs/dbraw/zinc/87/97/64/915879764.db2.gz QDSOLSRRQGOPDY-INIZCTEOSA-N 1 0 389.883 3.752 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000775164396 915990457 /nfs/dbraw/zinc/99/04/57/915990457.db2.gz XTIPYQLJMWNFMX-IUCAKERBSA-N 1 0 383.320 3.932 20 30 GHEDRO [NH2+]=C(NCCOc1ccc(F)cc1F)Nc1ccccc1OC(F)(F)F ZINC000305224061 916012164 /nfs/dbraw/zinc/01/21/64/916012164.db2.gz KBRKHHHRKFPRTQ-UHFFFAOYSA-N 1 0 375.297 3.669 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)CC1 ZINC001188709677 916127361 /nfs/dbraw/zinc/12/73/61/916127361.db2.gz DRPIZBOBYJNSMW-UHFFFAOYSA-N 1 0 395.478 3.595 20 30 GHEDRO [NH2+]=C(NC[C@H]1COC2(CCCCCC2)O1)Nc1ccccc1OC(F)(F)F ZINC000305836877 916463700 /nfs/dbraw/zinc/46/37/00/916463700.db2.gz QDXBJTMRZVYCNW-ZDUSSCGKSA-N 1 0 387.402 3.778 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cccc2ccc(C)nc21)C(C)C ZINC001189254551 916499425 /nfs/dbraw/zinc/49/94/25/916499425.db2.gz XYGAUFIJPIFZEW-IBGZPJMESA-N 1 0 387.549 3.520 20 30 GHEDRO Cc1ccccc1[C@@H](O)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000796409749 916624915 /nfs/dbraw/zinc/62/49/15/916624915.db2.gz VZEOYCCCSIWYQV-FQEVSTJZSA-N 1 0 383.517 3.702 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](CCc3ccccc3Br)CC2)C1=O ZINC001275756928 916939906 /nfs/dbraw/zinc/93/99/06/916939906.db2.gz NDMYRDWDLBVDRK-UHFFFAOYSA-N 1 0 391.353 3.882 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)cc1 ZINC001190216203 917201683 /nfs/dbraw/zinc/20/16/83/917201683.db2.gz GNTLWLHYOSUYCT-UHFFFAOYSA-N 1 0 398.547 3.685 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000775400453 917433451 /nfs/dbraw/zinc/43/34/51/917433451.db2.gz PMGZLICFQYHDGL-LJQANCHMSA-N 1 0 390.405 3.598 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)CC1 ZINC001190830305 917587174 /nfs/dbraw/zinc/58/71/74/917587174.db2.gz CRNAHPIULKCLNQ-UHFFFAOYSA-N 1 0 393.535 3.505 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC001191429148 917999069 /nfs/dbraw/zinc/99/90/69/917999069.db2.gz ZMRHBQNHZBIAIL-VIHQBZHPSA-N 1 0 396.579 3.907 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000296381845 918209670 /nfs/dbraw/zinc/20/96/70/918209670.db2.gz FTUHKOKHDAIPKP-YBKUAAOGSA-N 1 0 392.906 3.853 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000296621917 918484997 /nfs/dbraw/zinc/48/49/97/918484997.db2.gz YBWYZQYXLGCBBW-YOFSQIOKSA-N 1 0 387.524 3.747 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)CC1 ZINC000654170562 918848024 /nfs/dbraw/zinc/84/80/24/918848024.db2.gz QHCKAGLAFLNUHJ-UHFFFAOYSA-N 1 0 375.423 3.582 20 30 GHEDRO N#CCSCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000297043074 919000605 /nfs/dbraw/zinc/00/06/05/919000605.db2.gz UUROOTCQLHNEPT-OAQYLSRUSA-N 1 0 385.577 3.927 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c(-c2ccccc2)n1 ZINC000364448629 919468126 /nfs/dbraw/zinc/46/81/26/919468126.db2.gz NYPOKHVGPSZAAQ-XMMPIXPASA-N 1 0 397.482 3.560 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)ccc1OCc1cccc(C#N)c1 ZINC000119252219 919615420 /nfs/dbraw/zinc/61/54/20/919615420.db2.gz NRKKTJMERDBZNO-JOCHJYFZSA-N 1 0 380.488 3.881 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000297725769 919669792 /nfs/dbraw/zinc/66/97/92/919669792.db2.gz NMOPMASINBGRFW-RBBKRZOGSA-N 1 0 399.579 3.703 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(CC)nc3onc(CC(C)(C)C)c32)CC1 ZINC000800501615 920195981 /nfs/dbraw/zinc/19/59/81/920195981.db2.gz WAPBJVWOFLCYCL-UHFFFAOYSA-N 1 0 396.535 3.591 20 30 GHEDRO CC[C@@H](CC#N)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000364940378 920222359 /nfs/dbraw/zinc/22/23/59/920222359.db2.gz MAEWWWDBOSAGMD-HNNXBMFYSA-N 1 0 378.314 3.644 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000800887894 920568372 /nfs/dbraw/zinc/56/83/72/920568372.db2.gz FISLBQYPPDKUQZ-UHFFFAOYSA-N 1 0 394.334 3.807 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccccc1CC#N ZINC000801044599 920729085 /nfs/dbraw/zinc/72/90/85/920729085.db2.gz ZXBBCJYHOVDNDU-JOCHJYFZSA-N 1 0 375.516 3.712 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000365721344 921109722 /nfs/dbraw/zinc/10/97/22/921109722.db2.gz VDRJGKRGBSIZKN-UHFFFAOYSA-N 1 0 378.476 3.904 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)c2ccccc2OCC#N)C1 ZINC000802145526 921860283 /nfs/dbraw/zinc/86/02/83/921860283.db2.gz JERFBUANAMWMGN-VGOFRKELSA-N 1 0 382.435 3.921 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)COc2ccccc2C#N)C1 ZINC000802147250 921863161 /nfs/dbraw/zinc/86/31/61/921863161.db2.gz RVPJIFCHLZNRDR-VGOFRKELSA-N 1 0 382.435 3.655 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000367353185 922056431 /nfs/dbraw/zinc/05/64/31/922056431.db2.gz GKZAIVFQQGKCPX-UHFFFAOYSA-N 1 0 377.488 3.837 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)NCC(C)(C)CCC#N)CC[N@@H+]2C2CC2)c1 ZINC000367587803 922217251 /nfs/dbraw/zinc/21/72/51/922217251.db2.gz KAFXKCDKBKITJH-UXHICEINSA-N 1 0 384.524 3.602 20 30 GHEDRO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(N(C)CCC#N)cc1 ZINC000802652314 922306237 /nfs/dbraw/zinc/30/62/37/922306237.db2.gz DGPHNMODRJHATP-UHFFFAOYSA-N 1 0 384.549 3.545 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc(C#N)ccn1 ZINC000902766691 922484662 /nfs/dbraw/zinc/48/46/62/922484662.db2.gz PRTBUZVJULLZLO-ZBFHGGJFSA-N 1 0 385.309 3.893 20 30 GHEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc(C#N)ccn1 ZINC000902766688 922484730 /nfs/dbraw/zinc/48/47/30/922484730.db2.gz PRTBUZVJULLZLO-GDBMZVCRSA-N 1 0 385.309 3.893 20 30 GHEDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000368516524 922723340 /nfs/dbraw/zinc/72/33/40/922723340.db2.gz ZHWQFQFKIJVTRO-OALUTQOASA-N 1 0 376.504 3.513 20 30 GHEDRO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1cccc(C#N)c1 ZINC000903103426 922775737 /nfs/dbraw/zinc/77/57/37/922775737.db2.gz HUOAJZVWKMZZJX-KFKAGJAMSA-N 1 0 385.508 3.671 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](Cc2ccncc2)C1 ZINC000368649404 922792862 /nfs/dbraw/zinc/79/28/62/922792862.db2.gz DRVCRBZDQURZKV-PKOBYXMFSA-N 1 0 394.544 3.836 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)c1ccc(Cl)cc1 ZINC000803365434 922917115 /nfs/dbraw/zinc/91/71/15/922917115.db2.gz NCYVMVUBCUFKGF-NRFANRHFSA-N 1 0 399.922 3.984 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000369856524 923685213 /nfs/dbraw/zinc/68/52/13/923685213.db2.gz NOZFLQWPCQIHEM-HSZRJFAPSA-N 1 0 376.504 3.612 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)s1 ZINC000371552812 924662350 /nfs/dbraw/zinc/66/23/50/924662350.db2.gz JWDHWNLVBLMQKS-OAHLLOKOSA-N 1 0 383.521 3.851 20 30 GHEDRO COC(=O)c1ccc2c(c1)[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000827044211 924662844 /nfs/dbraw/zinc/66/28/44/924662844.db2.gz IUSFSUKJRSUCAB-UZLBHIALSA-N 1 0 378.472 3.974 20 30 GHEDRO C#C[C@@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000827236010 925084339 /nfs/dbraw/zinc/08/43/39/925084339.db2.gz VABUONPWTYCXKN-JOCHJYFZSA-N 1 0 376.504 3.704 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC[C@H]21 ZINC000827321863 925270140 /nfs/dbraw/zinc/27/01/40/925270140.db2.gz WKPATIPZCDCBLN-SIKLNZKXSA-N 1 0 375.472 3.711 20 30 GHEDRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(C#N)cn3)CC1)CCS2 ZINC000372768794 925693344 /nfs/dbraw/zinc/69/33/44/925693344.db2.gz TXXZRKLSRZBPCA-IBGZPJMESA-N 1 0 380.517 3.757 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCOCC1 ZINC000827559648 925812452 /nfs/dbraw/zinc/81/24/52/925812452.db2.gz HRXZOWGFKYZVLV-VNTMZGSJSA-N 1 0 376.541 3.573 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)c(F)cc3Br)C2)C1=O ZINC001276145427 926002081 /nfs/dbraw/zinc/00/20/81/926002081.db2.gz DDULWFVVXHNYCY-GOSISDBHSA-N 1 0 399.279 3.728 20 30 GHEDRO CSc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)s1 ZINC001276147256 926007247 /nfs/dbraw/zinc/00/72/47/926007247.db2.gz RHFKGMYAWAKXPX-IBGZPJMESA-N 1 0 377.579 3.978 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000411187158 926170296 /nfs/dbraw/zinc/17/02/96/926170296.db2.gz KJTLSJQVGFSKDT-HNNXBMFYSA-N 1 0 396.447 3.887 20 30 GHEDRO CCC[N@H+](C[C@@H]1CCCCO1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000411364236 926331876 /nfs/dbraw/zinc/33/18/76/926331876.db2.gz FLHPINRQXVIZQI-MOPGFXCFSA-N 1 0 387.524 3.611 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000411437563 926402835 /nfs/dbraw/zinc/40/28/35/926402835.db2.gz LHYMTTAIXOETFW-CYBMUJFWSA-N 1 0 399.516 3.805 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(F)cc1 ZINC000411479205 926446855 /nfs/dbraw/zinc/44/68/55/926446855.db2.gz VLHGYGLVBYNCRU-QGZVFWFLSA-N 1 0 387.480 3.553 20 30 GHEDRO N#Cc1ccc(OCCC[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000725813111 926454270 /nfs/dbraw/zinc/45/42/70/926454270.db2.gz SKAJTBFYRZASTL-UHFFFAOYSA-N 1 0 379.460 3.534 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1Oc2ccccc2[C@H]1C ZINC000411529696 926493824 /nfs/dbraw/zinc/49/38/24/926493824.db2.gz HFLZSISNUUPZNL-YPENRWOSSA-N 1 0 395.528 3.980 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1)C(C)C ZINC000726054924 926540927 /nfs/dbraw/zinc/54/09/27/926540927.db2.gz VWNFERSSBHQXIL-UHFFFAOYSA-N 1 0 379.460 3.584 20 30 GHEDRO C#Cc1cccc(NC(=S)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000726441113 926664342 /nfs/dbraw/zinc/66/43/42/926664342.db2.gz QSSGAFNBOJFSTI-FQEVSTJZSA-N 1 0 379.529 3.800 20 30 GHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=S)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000726474667 926692125 /nfs/dbraw/zinc/69/21/25/926692125.db2.gz XVQHUFWNBAFNEN-UHFFFAOYSA-N 1 0 376.913 3.874 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C2)C1=O ZINC001276186284 926996072 /nfs/dbraw/zinc/99/60/72/926996072.db2.gz SNQXVAWHDMQNGS-LJQANCHMSA-N 1 0 388.309 3.541 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H](CO)[C@H]2C)c1C#N ZINC000412065563 927052928 /nfs/dbraw/zinc/05/29/28/927052928.db2.gz CUZHAHNYYJUPTF-QZTJIDSGSA-N 1 0 386.540 3.513 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000749576833 927197986 /nfs/dbraw/zinc/19/79/86/927197986.db2.gz UNWFHWFYTPGFMD-ZWKOTPCHSA-N 1 0 382.533 3.959 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)ccc1OC ZINC000374787853 927522698 /nfs/dbraw/zinc/52/26/98/927522698.db2.gz KIRCOMDWHWZZID-GOSISDBHSA-N 1 0 398.507 3.711 20 30 GHEDRO N#CC1(NC(=O)CCc2ccc3[nH]ccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000374877123 927641003 /nfs/dbraw/zinc/64/10/03/927641003.db2.gz DIKCLLHFGNQJGX-UHFFFAOYSA-N 1 0 386.499 3.775 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000750597853 927741777 /nfs/dbraw/zinc/74/17/77/927741777.db2.gz WIDCIEBGUFKGEW-NRFANRHFSA-N 1 0 392.503 3.612 20 30 GHEDRO CC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(C)C ZINC000543870476 928516478 /nfs/dbraw/zinc/51/64/78/928516478.db2.gz ADWIGQILVHRASQ-QMHKHESXSA-N 1 0 377.488 3.606 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000752522565 928863992 /nfs/dbraw/zinc/86/39/92/928863992.db2.gz QDZLMZNUYXAETE-MRXNPFEDSA-N 1 0 385.895 3.996 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)CC1 ZINC000753342746 929310460 /nfs/dbraw/zinc/31/04/60/929310460.db2.gz KETLMCUEPBRMHN-UHFFFAOYSA-N 1 0 398.551 3.631 20 30 GHEDRO CCC1(C/N=C\c2c(O)c(C)ncc2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000753885581 929575960 /nfs/dbraw/zinc/57/59/60/929575960.db2.gz QUNFFNOFMVJCSY-OYKKKHCWSA-N 1 0 381.520 3.699 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000546013805 929772617 /nfs/dbraw/zinc/77/26/17/929772617.db2.gz YYIHKSDYENOIPD-GOSISDBHSA-N 1 0 375.394 3.539 20 30 GHEDRO C#CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000757773270 929795570 /nfs/dbraw/zinc/79/55/70/929795570.db2.gz CKLRRWBFHZQUOO-OAQYLSRUSA-N 1 0 385.458 3.803 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000469848813 930202503 /nfs/dbraw/zinc/20/25/03/930202503.db2.gz NYGGSJXEVRNZQV-UHFFFAOYSA-N 1 0 392.503 3.867 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469884382 930234685 /nfs/dbraw/zinc/23/46/85/930234685.db2.gz NDLQSWXSPZXNSC-ZOBUZTSGSA-N 1 0 395.341 3.582 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccccc1CC ZINC000759041791 930252619 /nfs/dbraw/zinc/25/26/19/930252619.db2.gz ZHZAILQAISIYOF-UHFFFAOYSA-O 1 0 397.520 3.700 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(CCC)cc1 ZINC000759052796 930258120 /nfs/dbraw/zinc/25/81/20/930258120.db2.gz ZYTWYBKFUBJGBM-UHFFFAOYSA-O 1 0 381.521 3.678 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000470022063 930322138 /nfs/dbraw/zinc/32/21/38/930322138.db2.gz GLHJFYHJZMTZLY-HNNXBMFYSA-N 1 0 397.357 3.844 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000470052941 930349401 /nfs/dbraw/zinc/34/94/01/930349401.db2.gz FUWYUBCHBYUGEY-HNNXBMFYSA-N 1 0 394.357 3.720 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470235629 930473745 /nfs/dbraw/zinc/47/37/45/930473745.db2.gz AVKKJSLGTJQWGC-BGYRXZFFSA-N 1 0 391.519 3.710 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000470276383 930504363 /nfs/dbraw/zinc/50/43/63/930504363.db2.gz GDXKYDKLGYMFDY-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO CC[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000780674112 930573948 /nfs/dbraw/zinc/57/39/48/930573948.db2.gz JSHARKKPUVZPEU-PXNSSMCTSA-N 1 0 392.503 3.936 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000780836418 930612158 /nfs/dbraw/zinc/61/21/58/930612158.db2.gz YAIAMTMLQHLPHK-UHFFFAOYSA-N 1 0 382.533 3.818 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000547105249 930699278 /nfs/dbraw/zinc/69/92/78/930699278.db2.gz FQBQOUZYJMHYCW-HNNXBMFYSA-N 1 0 378.432 3.689 20 30 GHEDRO C[C@@H](CC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000470874885 930989356 /nfs/dbraw/zinc/98/93/56/930989356.db2.gz XQGUQFHTOYGUCU-UGSOOPFHSA-N 1 0 375.394 3.887 20 30 GHEDRO CC(C)c1nn(C)c(Cl)c1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000782544254 931263712 /nfs/dbraw/zinc/26/37/12/931263712.db2.gz GRMGCKAQKUOURA-UHFFFAOYSA-N 1 0 387.915 3.943 20 30 GHEDRO Cc1noc(C)c1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924780457 931535644 /nfs/dbraw/zinc/53/56/44/931535644.db2.gz GHMZUGMOSPQBPN-CQSZACIVSA-N 1 0 376.501 3.701 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 ZINC000783408962 931540376 /nfs/dbraw/zinc/54/03/76/931540376.db2.gz GXRGFDVNSUEZLP-QGZVFWFLSA-N 1 0 390.487 3.619 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cccc(CO)c1 ZINC000924972518 931598582 /nfs/dbraw/zinc/59/85/82/931598582.db2.gz MCTFFHMYASKYTL-KRWDZBQOSA-N 1 0 387.524 3.588 20 30 GHEDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000925123087 931660272 /nfs/dbraw/zinc/66/02/72/931660272.db2.gz JWBLRIKXCBELFC-RDJZCZTQSA-N 1 0 391.512 3.531 20 30 GHEDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925221791 931707408 /nfs/dbraw/zinc/70/74/08/931707408.db2.gz PGPUHLZEQMODKW-GUDVDZBRSA-N 1 0 393.572 3.957 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000925281342 931729847 /nfs/dbraw/zinc/72/98/47/931729847.db2.gz XKPXHJFXPADVIG-HCXYKTFWSA-N 1 0 391.556 3.853 20 30 GHEDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)[nH]n1 ZINC000925560252 931823467 /nfs/dbraw/zinc/82/34/67/931823467.db2.gz FGMWNWMQJGJUCT-WBVHZDCISA-N 1 0 389.544 3.558 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000558148036 931858331 /nfs/dbraw/zinc/85/83/31/931858331.db2.gz MXSPXPUHBBHOIS-VGOFRKELSA-N 1 0 391.490 3.756 20 30 GHEDRO C#CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000784354360 931866476 /nfs/dbraw/zinc/86/64/76/931866476.db2.gz VVDQLNWGOKVTQW-HKUYNNGSSA-N 1 0 392.268 3.682 20 30 GHEDRO Cc1ccc(N(C)[C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000784375323 931874541 /nfs/dbraw/zinc/87/45/41/931874541.db2.gz QXXQOCUKCRBMOW-IBGZPJMESA-N 1 0 382.533 3.858 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784506029 931915940 /nfs/dbraw/zinc/91/59/40/931915940.db2.gz GCUQBTSKUMUENU-WDSOQIARSA-N 1 0 385.508 3.692 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)o2)c1 ZINC000558476878 932025170 /nfs/dbraw/zinc/02/51/70/932025170.db2.gz YRDKLZNZMPSQKN-YADHBBJMSA-N 1 0 399.498 3.562 20 30 GHEDRO CO[C@@](C)(C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926455559 932191137 /nfs/dbraw/zinc/19/11/37/932191137.db2.gz AFXOILZFVHSFOH-UZLBHIALSA-N 1 0 379.545 3.711 20 30 GHEDRO CCn1cc([C@H](C)[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000926541542 932222584 /nfs/dbraw/zinc/22/25/84/932222584.db2.gz KBCBLOIHTKPOSI-SJORKVTESA-N 1 0 389.544 3.873 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)N[C@@H](c1ncccn1)C1CC1 ZINC000926894745 932339334 /nfs/dbraw/zinc/33/93/34/932339334.db2.gz PQVDOJQIXZAQRP-FUHWJXTLSA-N 1 0 399.539 3.837 20 30 GHEDRO C[C@H]([NH2+]CC1(N(C)Cc2ccccc2)CCOCC1)c1ccc(OCC#N)cc1 ZINC000926956952 932362589 /nfs/dbraw/zinc/36/25/89/932362589.db2.gz DOBBAPNTBZZENV-FQEVSTJZSA-N 1 0 393.531 3.921 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000559003578 932367426 /nfs/dbraw/zinc/36/74/26/932367426.db2.gz KMNAGRWCXYVZEM-AZUAARDMSA-N 1 0 397.592 3.960 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000799125625 932883594 /nfs/dbraw/zinc/88/35/94/932883594.db2.gz RFSRHPAQKZPMFU-ZWKOTPCHSA-N 1 0 379.545 3.712 20 30 GHEDRO CC[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000799145963 932888733 /nfs/dbraw/zinc/88/87/33/932888733.db2.gz RUKNUJXQJBSDCJ-MSOLQXFVSA-N 1 0 379.545 3.712 20 30 GHEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000559835717 932894600 /nfs/dbraw/zinc/89/46/00/932894600.db2.gz MXXHSFVJLZHWRK-DSKINZAPSA-N 1 0 397.519 3.545 20 30 GHEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000799165331 932896087 /nfs/dbraw/zinc/89/60/87/932896087.db2.gz FLCLTPFEOHYIPZ-ROUUACIJSA-N 1 0 379.545 3.712 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C#N ZINC000799337530 932956733 /nfs/dbraw/zinc/95/67/33/932956733.db2.gz ZQLRGNCKJFIVDI-IBGZPJMESA-N 1 0 385.895 3.680 20 30 GHEDRO Cc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1C#N ZINC000799556244 933037195 /nfs/dbraw/zinc/03/71/95/933037195.db2.gz BNYPETXXXNMHDW-HXUWFJFHSA-N 1 0 375.472 3.585 20 30 GHEDRO C=CCn1cnn(CN(CCC)C2CCN(C(=O)c3ccccc3)CC2)c1=S ZINC001115938546 933251247 /nfs/dbraw/zinc/25/12/47/933251247.db2.gz LGWWHIMJXSZUTP-UHFFFAOYSA-N 1 0 399.564 3.574 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001116032793 933295283 /nfs/dbraw/zinc/29/52/83/933295283.db2.gz QHSBBFLYHVXRMK-YADHBBJMSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCNc3ncc(Cl)cc3Cl)CC2)cc1 ZINC000560529328 933312906 /nfs/dbraw/zinc/31/29/06/933312906.db2.gz LGDMEPUGKWZFOS-UHFFFAOYSA-N 1 0 390.318 3.931 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cl)c1F ZINC001116175219 933382735 /nfs/dbraw/zinc/38/27/35/933382735.db2.gz ATGDEQJRNHHBFL-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC001116381482 933524799 /nfs/dbraw/zinc/52/47/99/933524799.db2.gz XEPSCNNWYCZZLN-JTHBVZDNSA-N 1 0 395.478 3.808 20 30 GHEDRO Cc1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)c(-n2cc(Cl)cn2)n1 ZINC001116741993 933731160 /nfs/dbraw/zinc/73/11/60/933731160.db2.gz ARUKOBDECIJYFL-UHFFFAOYSA-N 1 0 377.879 3.943 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)c1ccc(Cl)cc1 ZINC001117671108 933976441 /nfs/dbraw/zinc/97/64/41/933976441.db2.gz XJDDOGOUNBLHOF-HXUWFJFHSA-N 1 0 396.922 3.896 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000561283301 934019721 /nfs/dbraw/zinc/01/97/21/934019721.db2.gz SLLUSQAAEMHHJA-DEOSSOPVSA-N 1 0 376.500 3.990 20 30 GHEDRO CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001118243984 934119857 /nfs/dbraw/zinc/11/98/57/934119857.db2.gz IGWWQEOZOVSDHA-UHFFFAOYSA-N 1 0 394.494 3.893 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC001118580470 934202904 /nfs/dbraw/zinc/20/29/04/934202904.db2.gz MNVPHVCJJKGGGT-DENIHFKCSA-N 1 0 391.515 3.560 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)ccc1OC(F)(F)F ZINC000931281764 934479571 /nfs/dbraw/zinc/47/95/71/934479571.db2.gz XPDUINSDGOSRRS-UHFFFAOYSA-N 1 0 382.386 3.595 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001121569110 934700946 /nfs/dbraw/zinc/70/09/46/934700946.db2.gz ACPTUFZOVRJEND-OAHLLOKOSA-N 1 0 381.615 3.501 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001121595278 934710840 /nfs/dbraw/zinc/71/08/40/934710840.db2.gz OFIDWJUDONRSFY-BBWFWOEESA-N 1 0 377.483 3.635 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@H](C)OC(C)(C)C ZINC001121682599 934737457 /nfs/dbraw/zinc/73/74/57/934737457.db2.gz STEGGNHUFJELGN-HNNXBMFYSA-N 1 0 387.532 3.547 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000562178341 934746722 /nfs/dbraw/zinc/74/67/22/934746722.db2.gz TYWKNJBSDQSBDG-JOCHJYFZSA-N 1 0 399.535 3.725 20 30 GHEDRO C=C(C)[C@@H](NC(=O)NCC1(SC)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000562243530 934782418 /nfs/dbraw/zinc/78/24/18/934782418.db2.gz UNNHRMSBSPPBEM-QGZVFWFLSA-N 1 0 383.508 3.709 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001122374380 934858619 /nfs/dbraw/zinc/85/86/19/934858619.db2.gz NYPBDPRTPYOMBJ-HKUYNNGSSA-N 1 0 387.572 3.795 20 30 GHEDRO C#CC[C@@H](CC)c1nnc(Nc2cnn(C3CC[NH+](C)CC3)c2)n1CC(=C)C ZINC001122388654 934860287 /nfs/dbraw/zinc/86/02/87/934860287.db2.gz HSQKALJXUBODJK-QGZVFWFLSA-N 1 0 381.528 3.578 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001122549297 934897068 /nfs/dbraw/zinc/89/70/68/934897068.db2.gz AHOFIINAOYRFQP-PKOBYXMFSA-N 1 0 398.555 3.908 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001122553776 934898439 /nfs/dbraw/zinc/89/84/39/934898439.db2.gz XNQLOYMKGABJHQ-UFYCRDLUSA-N 1 0 394.567 3.700 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001122602114 934915904 /nfs/dbraw/zinc/91/59/04/934915904.db2.gz MUZUIVJWIVPSGQ-TYPHKJRUSA-N 1 0 395.551 3.630 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001122621745 934923928 /nfs/dbraw/zinc/92/39/28/934923928.db2.gz VGCMDSGFMVZJQB-VAMGGRTRSA-N 1 0 394.567 3.688 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2nnc(C3(C#N)CCCC3)n2CC(C)C)CC1 ZINC001122715229 934960901 /nfs/dbraw/zinc/96/09/01/934960901.db2.gz AKIPRSIRLQJXMZ-UHFFFAOYSA-N 1 0 384.572 3.724 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001122797417 934991010 /nfs/dbraw/zinc/99/10/10/934991010.db2.gz PTMHXOPTLFLJKL-FQEVSTJZSA-N 1 0 386.588 3.873 20 30 GHEDRO CC(C)Cn1c(N2CCC(C[N@H+](C)C(C)C)CC2)nnc1C1(C#N)CCCC1 ZINC001122798837 934991416 /nfs/dbraw/zinc/99/14/16/934991416.db2.gz VSKWLZYMZJLYKY-UHFFFAOYSA-N 1 0 386.588 3.826 20 30 GHEDRO N#CCCC[C@@H](NC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC001123733330 935270927 /nfs/dbraw/zinc/27/09/27/935270927.db2.gz ICRKAAVVVBFLRD-OAQYLSRUSA-N 1 0 377.492 3.785 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3SCc3ccc(C#N)cc3)[C@@H]2C1 ZINC001124024758 935331159 /nfs/dbraw/zinc/33/11/59/935331159.db2.gz CNXCKQHJMMQQCE-TYPHKJRUSA-N 1 0 391.540 3.921 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000828015474 935527720 /nfs/dbraw/zinc/52/77/20/935527720.db2.gz GENJFBYVHWTFSP-KNQAVFIVSA-N 1 0 376.500 3.729 20 30 GHEDRO COc1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C#N)c1 ZINC001137703319 935733454 /nfs/dbraw/zinc/73/34/54/935733454.db2.gz JFWMBLJMDVGVKS-WUMKDDEVSA-N 1 0 390.531 3.694 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001137765997 935778673 /nfs/dbraw/zinc/77/86/73/935778673.db2.gz SZXJYDNZKDAHEP-GOTSBHOMSA-N 1 0 379.504 3.717 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(OC)c1 ZINC000829344758 935798424 /nfs/dbraw/zinc/79/84/24/935798424.db2.gz SPEUQUGDOQBOND-IBGZPJMESA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000829649617 935838904 /nfs/dbraw/zinc/83/89/04/935838904.db2.gz DLRFXNNYSACOBN-CZUORRHYSA-N 1 0 395.450 3.895 20 30 GHEDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)c4ccc(C#N)cc4)cc3)C[C@@H]21 ZINC001137902594 935856725 /nfs/dbraw/zinc/85/67/25/935856725.db2.gz JUJMGOVBECMWOF-ZBYYUNFXSA-N 1 0 375.472 3.567 20 30 GHEDRO Cc1ccc(C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2CC2)cn1 ZINC000829860493 935873712 /nfs/dbraw/zinc/87/37/12/935873712.db2.gz RGCFOWNPCRDLOT-FQEVSTJZSA-N 1 0 397.482 3.839 20 30 GHEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCCC1(C)C ZINC001573330620 947437521 /nfs/dbraw/zinc/43/75/21/947437521.db2.gz ZRAJBERUTLGTLW-MRXNPFEDSA-N 1 0 388.903 3.525 20 30 GHEDRO N#Cc1ccccc1OCCCNC(=O)C[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC001220685437 1032062658 /nfs/dbraw/zinc/06/26/58/1032062658.db2.gz XJEZIOUMLOVMOB-MRXNPFEDSA-N 1 0 392.286 3.840 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)CNc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001625777375 1014149629 /nfs/dbraw/zinc/14/96/29/1014149629.db2.gz ACIDYKMZCOKOIX-QFIPXVFZSA-N 1 0 378.520 3.588 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)C1 ZINC001625950872 1014522426 /nfs/dbraw/zinc/52/24/26/1014522426.db2.gz LZLGADJDTCGSHX-GOSISDBHSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(N(C)C)cc1 ZINC000814735433 1014949187 /nfs/dbraw/zinc/94/91/87/1014949187.db2.gz DGAPMNXKMNHTHE-UHFFFAOYSA-N 1 0 385.581 3.851 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000545871078 1016554983 /nfs/dbraw/zinc/55/49/83/1016554983.db2.gz XCSFQCRHYMOIBR-UHFFFAOYSA-N 1 0 375.472 3.519 20 30 GHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000925137472 1017040704 /nfs/dbraw/zinc/04/07/04/1017040704.db2.gz SMBCYBIWQLIAPR-HNNXBMFYSA-N 1 0 387.505 3.695 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221049318 1032256730 /nfs/dbraw/zinc/25/67/30/1032256730.db2.gz SFABFQHKRMQRMU-HXUWFJFHSA-N 1 0 376.435 3.649 20 30 GHEDRO N#Cc1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC001227162372 1032300821 /nfs/dbraw/zinc/30/08/21/1032300821.db2.gz NBHGXOZBKCCFRA-QGZVFWFLSA-N 1 0 376.378 3.857 20 30 GHEDRO COC(=O)C1=C[C@H](Oc2ccc(C#N)c(Cl)c2)C[N@H+](Cc2ccccc2)C1 ZINC001227208981 1032322890 /nfs/dbraw/zinc/32/28/90/1032322890.db2.gz NIWFQWPGIRZWNL-IBGZPJMESA-N 1 0 382.847 3.574 20 30 GHEDRO N#Cc1cccc(C[C@H]([NH3+])C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC001221195787 1032326340 /nfs/dbraw/zinc/32/63/40/1032326340.db2.gz HWRDVXGDSXTZTG-FCHUYYIVSA-N 1 0 389.886 3.987 20 30 GHEDRO C#CC1(NC(=O)C[C@@H]([NH3+])Cc2ccc(OCc3ccccc3)cc2)CCCCC1 ZINC001221276010 1032356637 /nfs/dbraw/zinc/35/66/37/1032356637.db2.gz MWOMQTZHGFFSEK-QFIPXVFZSA-N 1 0 390.527 3.978 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC001221296787 1032365256 /nfs/dbraw/zinc/36/52/56/1032365256.db2.gz ANWFSRFEBYATLB-HSZRJFAPSA-N 1 0 390.531 3.873 20 30 GHEDRO N#Cc1cc2ccc(O[C@H]3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccccc3)C4)cc2oc1=O ZINC001227379880 1032397082 /nfs/dbraw/zinc/39/70/82/1032397082.db2.gz RUNGCMFPSFZEGK-MOJGAOKDSA-N 1 0 386.451 3.954 20 30 GHEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc3cc(C#N)c(=O)oc3c2)C1 ZINC001227383896 1032398121 /nfs/dbraw/zinc/39/81/21/1032398121.db2.gz UIUVBWBCGMJAFX-HNAYVOBHSA-N 1 0 375.428 3.664 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)cc(C)c1OC ZINC001277206874 1032411402 /nfs/dbraw/zinc/41/14/02/1032411402.db2.gz ZTMHGVIGHKHDMB-IAGOWNOFSA-N 1 0 393.325 3.517 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)[NH+](C)C)cc1 ZINC001221540324 1032454785 /nfs/dbraw/zinc/45/47/85/1032454785.db2.gz RNKUZKXMNKQMGB-OAQYLSRUSA-N 1 0 376.504 3.848 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(Br)cc(F)cc1Br ZINC001227657055 1032506475 /nfs/dbraw/zinc/50/64/75/1032506475.db2.gz MLDDDTHKNFEENR-SNVBAGLBSA-N 1 0 395.090 3.718 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CCN(Cc1c(F)ccc(F)c1Br)CC2 ZINC001276446375 1032636503 /nfs/dbraw/zinc/63/65/03/1032636503.db2.gz WGZFGARQZDCAEM-ZDUSSCGKSA-N 1 0 399.279 3.632 20 30 GHEDRO Cc1nc(O[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828568 1032637723 /nfs/dbraw/zinc/63/77/23/1032637723.db2.gz RZIBFUGCBXHJKD-APWZRJJASA-N 1 0 385.895 3.892 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C ZINC001227839521 1032640311 /nfs/dbraw/zinc/64/03/11/1032640311.db2.gz YJDROEVZJHUMMA-IRXDYDNUSA-N 1 0 381.442 3.627 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001204209456 1032660386 /nfs/dbraw/zinc/66/03/86/1032660386.db2.gz SZTRMOWCVVOQOK-OFNKIYASSA-N 1 0 382.454 3.969 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)ccc1Cl ZINC000558114077 1017118012 /nfs/dbraw/zinc/11/80/12/1017118012.db2.gz BQCRBWTUSDCLIW-INIZCTEOSA-N 1 0 377.916 3.521 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155828101 1032729176 /nfs/dbraw/zinc/72/91/76/1032729176.db2.gz FAMQTOFFTDZGIL-QFBILLFUSA-N 1 0 392.837 3.751 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155832736 1032732457 /nfs/dbraw/zinc/73/24/57/1032732457.db2.gz ADBZLRFGMJCKBC-FXAWDEMLSA-N 1 0 399.882 3.507 20 30 GHEDRO Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001204289815 1032731130 /nfs/dbraw/zinc/73/11/30/1032731130.db2.gz UYGYHFCYMAJRQP-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2cc(C#N)ccc2F)CCOCC1 ZINC000931711371 1018036940 /nfs/dbraw/zinc/03/69/40/1018036940.db2.gz DMGKXGSMHMGQFF-UHFFFAOYSA-N 1 0 396.466 3.500 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)cc1 ZINC001204300452 1032740871 /nfs/dbraw/zinc/74/08/71/1032740871.db2.gz NXLMQBFYBXGFHL-UHFFFAOYSA-N 1 0 379.504 3.518 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)cc1 ZINC001204300930 1032743448 /nfs/dbraw/zinc/74/34/48/1032743448.db2.gz XHGISEWYXMQSPF-JOCHJYFZSA-N 1 0 376.500 3.890 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C2 ZINC001228042906 1032750941 /nfs/dbraw/zinc/75/09/41/1032750941.db2.gz JLOVTOQKRJGTAJ-DHIUTWEWSA-N 1 0 388.515 3.552 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000562571206 1018332317 /nfs/dbraw/zinc/33/23/17/1018332317.db2.gz KZTRKGRVWAFXAK-UHFFFAOYSA-N 1 0 380.540 3.954 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1ccc(CC#N)cc1)CC2 ZINC000932673917 1018575048 /nfs/dbraw/zinc/57/50/48/1018575048.db2.gz RDYHGWYJIXKFNT-HXUWFJFHSA-N 1 0 399.535 3.648 20 30 GHEDRO COc1ccccc1/C(C)=C\C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000778111998 1018596272 /nfs/dbraw/zinc/59/62/72/1018596272.db2.gz ZTZKOXJTDYZRCF-MNDPQUGUSA-N 1 0 389.499 3.773 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000562748656 1018597134 /nfs/dbraw/zinc/59/71/34/1018597134.db2.gz KXZOPWAKQZITBX-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO O[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 ZINC000932942279 1018770325 /nfs/dbraw/zinc/77/03/25/1018770325.db2.gz GPZMCQIBSWSRSL-GRYCIOLGSA-N 1 0 389.286 3.823 20 30 GHEDRO O[C@@H](C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 ZINC000932942284 1018770383 /nfs/dbraw/zinc/77/03/83/1018770383.db2.gz GPZMCQIBSWSRSL-UTUOFQBUSA-N 1 0 389.286 3.823 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000933072062 1018831342 /nfs/dbraw/zinc/83/13/42/1018831342.db2.gz FDFWLYWHMKXTBE-PXNSSMCTSA-N 1 0 379.508 3.703 20 30 GHEDRO ON=C(Nc1cc(Cl)nc2c1CC[NH2+]C2)c1ccc(OC(F)(F)F)cc1 ZINC001155913972 1032791801 /nfs/dbraw/zinc/79/18/01/1032791801.db2.gz FAFYDVIYBZDQBG-UHFFFAOYSA-N 1 0 386.761 3.527 20 30 GHEDRO CC(C)c1ccc(O[C@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000564869399 1019120826 /nfs/dbraw/zinc/12/08/26/1019120826.db2.gz WFJZMWAESJIVFX-QGZVFWFLSA-N 1 0 386.517 3.512 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cn(C(C)=O)c3ccccc13)CC2 ZINC001204407956 1032833518 /nfs/dbraw/zinc/83/35/18/1032833518.db2.gz SSHNEHSQMRDZPM-QHCPKHFHSA-N 1 0 379.504 3.835 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@H](c3cccnc3)C2)c1C#N ZINC000569689489 1019502529 /nfs/dbraw/zinc/50/25/29/1019502529.db2.gz LDZBRBSYTYQGNL-FQEVSTJZSA-N 1 0 399.498 3.789 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000571222895 1019669451 /nfs/dbraw/zinc/66/94/51/1019669451.db2.gz MYNZRUIMWRJXIU-PKOBYXMFSA-N 1 0 387.405 3.908 20 30 GHEDRO N#CCC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000574514004 1019884905 /nfs/dbraw/zinc/88/49/05/1019884905.db2.gz ZMUFKTXSMVGEEN-RJGXRXQPSA-N 1 0 388.515 3.947 20 30 GHEDRO N#Cc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(Cl)c1 ZINC000575068424 1019922428 /nfs/dbraw/zinc/92/24/28/1019922428.db2.gz MNEVVRLBBRHROQ-LJQANCHMSA-N 1 0 396.922 3.947 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1F ZINC001204429415 1032862377 /nfs/dbraw/zinc/86/23/77/1032862377.db2.gz SNKDWJYLFYVGAT-QWHCGFSZSA-N 1 0 375.284 3.813 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000600741893 1020230787 /nfs/dbraw/zinc/23/07/87/1020230787.db2.gz RGJDIPOPKQIHGN-GUYCJALGSA-N 1 0 388.309 3.952 20 30 GHEDRO N#Cc1cncc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001156114684 1032885396 /nfs/dbraw/zinc/88/53/96/1032885396.db2.gz SJKHJHZJUMMTHQ-XZOQPEGZSA-N 1 0 388.515 3.508 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)NC3CC[NH+](C4CCC4)CC3)c2)cc1 ZINC000577583138 1020254362 /nfs/dbraw/zinc/25/43/62/1020254362.db2.gz CWSKOXWUQORHCU-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000601164212 1020298681 /nfs/dbraw/zinc/29/86/81/1020298681.db2.gz QBANDKBILDJYGU-KRWDZBQOSA-N 1 0 386.517 3.666 20 30 GHEDRO N#Cc1cnn2cc(C[NH+]3CCC(c4nc5cc(Cl)ccc5o4)CC3)cnc12 ZINC000578987473 1020377376 /nfs/dbraw/zinc/37/73/76/1020377376.db2.gz CCXBGPUARSGDIS-UHFFFAOYSA-N 1 0 392.850 3.775 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3Br)C2)C1=O ZINC001204538962 1032957330 /nfs/dbraw/zinc/95/73/30/1032957330.db2.gz GISMWVWEMVKLNQ-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000834505058 1021230804 /nfs/dbraw/zinc/23/08/04/1021230804.db2.gz HHVYMVMNITWKCI-RDTXWAMCSA-N 1 0 383.517 3.840 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2nc(Cl)ncc2C#N)cc1 ZINC001156294796 1032964478 /nfs/dbraw/zinc/96/44/78/1032964478.db2.gz UEQBLYZUORQPHH-QGZVFWFLSA-N 1 0 385.899 3.501 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(F)c(OC)c1)CC2 ZINC001204556273 1032969507 /nfs/dbraw/zinc/96/95/07/1032969507.db2.gz YZGOHIAJPWWWQG-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO Cc1nc(CC[N@@H+](C)Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)no1 ZINC001140437888 1021708022 /nfs/dbraw/zinc/70/80/22/1021708022.db2.gz SESAMTUBBDBVPM-UHFFFAOYSA-N 1 0 395.463 3.662 20 30 GHEDRO c1ccc(C[N@@H+]2CCC(N=Nc3nc(-c4ccncc4)no3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834952256 1021727329 /nfs/dbraw/zinc/72/73/29/1021727329.db2.gz NSSLLVYHYDVEDO-ICSRJNTNSA-N 1 0 388.475 3.974 20 30 GHEDRO CCCc1cc(C)nc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N ZINC001228599653 1032999731 /nfs/dbraw/zinc/99/97/31/1032999731.db2.gz MLPKBMGIYIGJOO-NRFANRHFSA-N 1 0 379.504 3.884 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]CC3CCC(C#N)CC3)sc2C1 ZINC000835052059 1021821128 /nfs/dbraw/zinc/82/11/28/1021821128.db2.gz NHXVBLKSLZKVGJ-UHFFFAOYSA-N 1 0 390.553 3.856 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(Nc3cc[nH+]c4c3CCC4)c2)C1 ZINC001204653713 1033014782 /nfs/dbraw/zinc/01/47/82/1033014782.db2.gz OPGBNVQIGJYMKN-UHFFFAOYSA-N 1 0 390.487 3.942 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001140549226 1021950666 /nfs/dbraw/zinc/95/06/66/1021950666.db2.gz OXXNMPHKGBLSHL-OAQYLSRUSA-N 1 0 382.508 3.855 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c([O-])cc(F)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140580807 1022000148 /nfs/dbraw/zinc/00/01/48/1022000148.db2.gz GMJDIPCAFFKXOT-XXBNENTESA-N 1 0 398.453 3.675 20 30 GHEDRO C=CC[C@@H](CO)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000680484441 1022176483 /nfs/dbraw/zinc/17/64/83/1022176483.db2.gz JHZNYJUKZWFECD-NRFANRHFSA-N 1 0 377.488 3.634 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3F)CC2)cc1 ZINC001140664068 1022206011 /nfs/dbraw/zinc/20/60/11/1022206011.db2.gz XGYBYHCKMWUMOB-UHFFFAOYSA-N 1 0 393.506 3.989 20 30 GHEDRO N#Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2c1 ZINC001156452920 1033040506 /nfs/dbraw/zinc/04/05/06/1033040506.db2.gz BHALNYORVJHDML-XXBNENTESA-N 1 0 384.483 3.776 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140753117 1022436655 /nfs/dbraw/zinc/43/66/55/1022436655.db2.gz YGAQNSZMPMWYEJ-KBXCAEBGSA-N 1 0 377.435 3.668 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754381119 1022655356 /nfs/dbraw/zinc/65/53/56/1022655356.db2.gz ASTVQPWLROXZAY-GJZGRUSLSA-N 1 0 389.546 3.794 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000754402926 1022677084 /nfs/dbraw/zinc/67/70/84/1022677084.db2.gz NMIOPLZUOOGLGK-INIZCTEOSA-N 1 0 379.888 3.635 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1c(C)nn(C)c1C ZINC000754438685 1022707340 /nfs/dbraw/zinc/70/73/40/1022707340.db2.gz UMUNSKNEQPWBOK-YLJYHZDGSA-N 1 0 381.524 3.721 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000836248569 1022768756 /nfs/dbraw/zinc/76/87/56/1022768756.db2.gz FYAMYKPWHUEHHB-KRWDZBQOSA-N 1 0 383.521 3.552 20 30 GHEDRO CCOC(=O)c1cc(C)nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C#N ZINC001156529819 1033086722 /nfs/dbraw/zinc/08/67/22/1033086722.db2.gz GLQOTRADVZBNLY-FQEVSTJZSA-N 1 0 378.476 3.687 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923782 1022899571 /nfs/dbraw/zinc/89/95/71/1022899571.db2.gz GAINYAYQWNKVDV-SFTDATJTSA-N 1 0 378.944 3.980 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3C)C2)C1=O ZINC001140960872 1023014012 /nfs/dbraw/zinc/01/40/12/1023014012.db2.gz GUIIOIYHRGZHOQ-IBGZPJMESA-N 1 0 382.426 3.894 20 30 GHEDRO C#Cc1cccc(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000836656860 1023217067 /nfs/dbraw/zinc/21/70/67/1023217067.db2.gz RTUDMYKFLQGXRS-UHFFFAOYSA-N 1 0 376.504 3.511 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001141024404 1023242842 /nfs/dbraw/zinc/24/28/42/1023242842.db2.gz PDYUQPJGPZVYEK-UHFFFAOYSA-N 1 0 389.455 3.864 20 30 GHEDRO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141107161 1023515525 /nfs/dbraw/zinc/51/55/25/1023515525.db2.gz RLSVJRBYHVHGBI-RYUDHWBXSA-N 1 0 398.960 3.981 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)C1 ZINC001141140050 1023569368 /nfs/dbraw/zinc/56/93/68/1023569368.db2.gz HNTJJXYUOFKWSS-UHFFFAOYSA-N 1 0 399.535 3.516 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC000756544623 1023707577 /nfs/dbraw/zinc/70/75/77/1023707577.db2.gz VKXWDSRGAOTZLY-GOSISDBHSA-N 1 0 394.446 3.641 20 30 GHEDRO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001141166197 1023996320 /nfs/dbraw/zinc/99/63/20/1023996320.db2.gz ZFHVEXHODKAPNU-HSZRJFAPSA-N 1 0 395.453 3.851 20 30 GHEDRO COC(=O)c1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]c1C(C)C ZINC001205033900 1033220840 /nfs/dbraw/zinc/22/08/40/1033220840.db2.gz YKUUARAMMMIFMY-UHFFFAOYSA-N 1 0 394.519 3.504 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1OC ZINC001138347784 1024710716 /nfs/dbraw/zinc/71/07/16/1024710716.db2.gz KXINTHJAGWWYGR-NRFANRHFSA-N 1 0 376.456 3.622 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000831829953 1024915988 /nfs/dbraw/zinc/91/59/88/1024915988.db2.gz PRFDFZXSACJSEJ-AEFFLSMTSA-N 1 0 380.444 3.856 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426964 1025011753 /nfs/dbraw/zinc/01/17/53/1025011753.db2.gz XKTYPUILOKQALY-LJQANCHMSA-N 1 0 381.442 3.942 20 30 GHEDRO C=CCc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)c1O ZINC001138628166 1025128673 /nfs/dbraw/zinc/12/86/73/1025128673.db2.gz PROLZSYKRSTMCO-NRFANRHFSA-N 1 0 378.516 3.962 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832029981 1025149967 /nfs/dbraw/zinc/14/99/67/1025149967.db2.gz GCQMJCBDBKSSEF-FQEVSTJZSA-N 1 0 399.535 3.620 20 30 GHEDRO Cc1cc(C(=O)OC[C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)ncc1C#N ZINC000838804212 1025376357 /nfs/dbraw/zinc/37/63/57/1025376357.db2.gz UKOIXNWUEAIASP-HNNXBMFYSA-N 1 0 385.414 3.609 20 30 GHEDRO N#Cc1cnc(Cl)nc1NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC001162032806 1025552139 /nfs/dbraw/zinc/55/21/39/1025552139.db2.gz VKVLEFAKFPNKPP-UHFFFAOYSA-N 1 0 395.816 3.519 20 30 GHEDRO Cc1cnc(NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c(C#N)n1 ZINC001162033204 1025553109 /nfs/dbraw/zinc/55/31/09/1025553109.db2.gz MFESQTUIVQVVKI-UHFFFAOYSA-N 1 0 375.398 3.752 20 30 GHEDRO C=COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000839149379 1025647901 /nfs/dbraw/zinc/64/79/01/1025647901.db2.gz WUFWSFGISWIWCY-UHFFFAOYSA-N 1 0 376.460 3.820 20 30 GHEDRO N#Cc1nc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c(Cl)cc1Cl ZINC001162197334 1025663261 /nfs/dbraw/zinc/66/32/61/1025663261.db2.gz DQOMVDGJHVQFGA-HDJSIYSDSA-N 1 0 376.291 3.932 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162197676 1025664529 /nfs/dbraw/zinc/66/45/29/1025664529.db2.gz UHTWXYJKWIXYKT-WKILWMFISA-N 1 0 391.853 3.823 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000839199991 1025717944 /nfs/dbraw/zinc/71/79/44/1025717944.db2.gz OOPAEGDPKJUQKJ-YUXAGFNASA-N 1 0 383.536 3.503 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccc(C#N)c3)o2)C1 ZINC001461029526 1069345881 /nfs/dbraw/zinc/34/58/81/1069345881.db2.gz IAXCNNZYWKBTOW-IBGZPJMESA-N 1 0 395.503 3.999 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3OC)C2)CC1 ZINC001141602842 1025838101 /nfs/dbraw/zinc/83/81/01/1025838101.db2.gz QTOXNYILRXOJCK-UHFFFAOYSA-N 1 0 398.425 3.934 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139078801 1025890664 /nfs/dbraw/zinc/89/06/64/1025890664.db2.gz NXGPTERPFHJWAB-JTHBVZDNSA-N 1 0 395.503 3.843 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139078798 1025891385 /nfs/dbraw/zinc/89/13/85/1025891385.db2.gz NXGPTERPFHJWAB-FYYLOGMGSA-N 1 0 395.503 3.843 20 30 GHEDRO CCOC(=O)COc1ccccc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001139135983 1025949381 /nfs/dbraw/zinc/94/93/81/1025949381.db2.gz PNKKKDBQVFHWJE-UHFFFAOYSA-N 1 0 394.471 3.544 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cn(C)c3ccc(OC)cc13)C2 ZINC001139147643 1025961884 /nfs/dbraw/zinc/96/18/84/1025961884.db2.gz ZZRIZMZXUFJHKJ-HSZRJFAPSA-N 1 0 381.520 3.720 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001162995076 1026000219 /nfs/dbraw/zinc/00/02/19/1026000219.db2.gz RSRYWUMTXUKNKL-QVKFZJNVSA-N 1 0 387.443 3.947 20 30 GHEDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001141654550 1026089603 /nfs/dbraw/zinc/08/96/03/1026089603.db2.gz CGNMPNKLVJGMHT-GOSISDBHSA-N 1 0 379.298 3.876 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@H]2C[NH2+]Cc3ccsc32)n1 ZINC001163226251 1026095423 /nfs/dbraw/zinc/09/54/23/1026095423.db2.gz DLYYSKTYIQJCQA-MQQPXVBJSA-N 1 0 376.551 3.589 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC001163243418 1026101564 /nfs/dbraw/zinc/10/15/64/1026101564.db2.gz ZWFXMSSHLYFGGH-UHFFFAOYSA-N 1 0 379.464 3.893 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000839604335 1026102983 /nfs/dbraw/zinc/10/29/83/1026102983.db2.gz LZMGHBSBOXJQTG-YCRPNKLZSA-N 1 0 397.544 3.881 20 30 GHEDRO COc1cc(CN2CCC(C#N)(c3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139253358 1026104586 /nfs/dbraw/zinc/10/45/86/1026104586.db2.gz SADHIZTYHBNFQC-UHFFFAOYSA-N 1 0 379.504 3.520 20 30 GHEDRO COc1cc(CN2CCC(C#N)(c3ccccc3F)CC2)cc(C[NH+](C)C)c1O ZINC001139259890 1026110560 /nfs/dbraw/zinc/11/05/60/1026110560.db2.gz JFONYHDLOFYBTH-UHFFFAOYSA-N 1 0 397.494 3.659 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163279839 1026122482 /nfs/dbraw/zinc/12/24/82/1026122482.db2.gz PKYOIFCREUKNDM-HNAYVOBHSA-N 1 0 377.992 3.535 20 30 GHEDRO COc1cccc([C@H](C[NH3+])Nc2cnc(Cl)nc2Oc2cccc(C#N)c2)c1 ZINC001163314996 1026138957 /nfs/dbraw/zinc/13/89/57/1026138957.db2.gz ZTYQAGTVGGGDJJ-KRWDZBQOSA-N 1 0 395.850 3.914 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1ncnc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC001163385645 1026173194 /nfs/dbraw/zinc/17/31/94/1026173194.db2.gz NVZDPBWPQUQERS-HXUWFJFHSA-N 1 0 395.894 3.886 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cc2)c1 ZINC001139403339 1026274731 /nfs/dbraw/zinc/27/47/31/1026274731.db2.gz PBVBNMYHTKGMGY-RBBKRZOGSA-N 1 0 398.466 3.560 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CC[C@]4(C3)c3ccccc3NC4=O)cc2)c1 ZINC001139402992 1026274760 /nfs/dbraw/zinc/27/47/60/1026274760.db2.gz DJSUKWDFAAEUJK-DEOSSOPVSA-N 1 0 380.451 3.716 20 30 GHEDRO C[N@@H+]1CCN(c2ccc([C@@H](C#N)c3ccccc3F)nn2)[C@@H](c2ccccc2)C1 ZINC001163671301 1026275464 /nfs/dbraw/zinc/27/54/64/1026275464.db2.gz BNHCLLKZHHRSCQ-SIKLNZKXSA-N 1 0 387.462 3.764 20 30 GHEDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)o1 ZINC001139428263 1026299784 /nfs/dbraw/zinc/29/97/84/1026299784.db2.gz HPJIENBXTPKWFA-GOSISDBHSA-N 1 0 375.432 3.817 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC[N@H+](Cc4ccncc4)CC3)nn2)cc1 ZINC001163826284 1026327321 /nfs/dbraw/zinc/32/73/21/1026327321.db2.gz DIXGXSUJQKTAFR-JOCHJYFZSA-N 1 0 398.514 3.548 20 30 GHEDRO CC(C)(C)c1nc2c(o1)c(C#N)cnc2NCc1cccnc1C1CC[NH2+]CC1 ZINC001163910270 1026359453 /nfs/dbraw/zinc/35/94/53/1026359453.db2.gz VYTRDLBZDACMRE-UHFFFAOYSA-N 1 0 390.491 3.866 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccc(Cl)n4)C3)C2)c1 ZINC001139551090 1026422094 /nfs/dbraw/zinc/42/20/94/1026422094.db2.gz YKBALHPIVKKBLP-JOCHJYFZSA-N 1 0 396.922 3.726 20 30 GHEDRO CN(c1cccc(N=C(c2ccccc2)c2ccccc2)c1)S(=O)(=O)CC[NH3+] ZINC001164300415 1026478968 /nfs/dbraw/zinc/47/89/68/1026478968.db2.gz PRYZEENNJLVKKY-UHFFFAOYSA-N 1 0 393.512 3.580 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3ncc(Cl)c(C)c3C#N)CC2)cc1 ZINC001164330488 1026488160 /nfs/dbraw/zinc/48/81/60/1026488160.db2.gz VPFYFPFJRANAKR-UHFFFAOYSA-N 1 0 399.926 3.548 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001139646521 1026506665 /nfs/dbraw/zinc/50/66/65/1026506665.db2.gz WIAMDTLAMQVWFK-NQIIRXRSSA-N 1 0 391.462 3.868 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c1 ZINC001139648169 1026509109 /nfs/dbraw/zinc/50/91/09/1026509109.db2.gz YPFPMJRLQWUQNO-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001139648836 1026509134 /nfs/dbraw/zinc/50/91/34/1026509134.db2.gz DDQMOSNGCXPUGI-HSZRJFAPSA-N 1 0 395.453 3.851 20 30 GHEDRO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001139688339 1026539914 /nfs/dbraw/zinc/53/99/14/1026539914.db2.gz HNQLQMBNMCHAFZ-QFIPXVFZSA-N 1 0 397.881 3.975 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c[nH]c3c1cccc3C#N)[C@@H]2C ZINC001139701088 1026546085 /nfs/dbraw/zinc/54/60/85/1026546085.db2.gz IHEUZRWIHKCSEJ-MRXNPFEDSA-N 1 0 376.508 3.653 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@@]4(CC(=O)N(c5ccsc5)C4)C3)c[nH]c21 ZINC001139705044 1026549835 /nfs/dbraw/zinc/54/98/35/1026549835.db2.gz KLBIYRVFQYZMEE-OAQYLSRUSA-N 1 0 376.485 3.730 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC(NC(=O)c4ccccc4F)CC3)c[nH]c21 ZINC001139707100 1026552105 /nfs/dbraw/zinc/55/21/05/1026552105.db2.gz PLBSGFAAESNTJT-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)c21 ZINC001139720607 1026563168 /nfs/dbraw/zinc/56/31/68/1026563168.db2.gz JGPWMOZOZLNLGF-LJQANCHMSA-N 1 0 389.455 3.870 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1C#N ZINC001139723726 1026565478 /nfs/dbraw/zinc/56/54/78/1026565478.db2.gz FGJCZUSWXGRYDN-GMAHTHKFSA-N 1 0 377.488 3.712 20 30 GHEDRO Cc1nc(CN2CC[C@@]3(CCC[N@H+](Cc4ccc(C)c(C#N)c4)C3)C2=O)cs1 ZINC001139725352 1026568833 /nfs/dbraw/zinc/56/88/33/1026568833.db2.gz MCNGVPQNEOKCKU-JOCHJYFZSA-N 1 0 394.544 3.646 20 30 GHEDRO C=CCn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC001139768638 1026604082 /nfs/dbraw/zinc/60/40/82/1026604082.db2.gz RTPSWPMNQVKIRT-WOJBJXKFSA-N 1 0 388.556 3.928 20 30 GHEDRO COc1nc(N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1C#N ZINC001165138689 1026630269 /nfs/dbraw/zinc/63/02/69/1026630269.db2.gz ALJGFVZQYUIRRL-QFIPXVFZSA-N 1 0 399.498 3.638 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001165158575 1026639415 /nfs/dbraw/zinc/63/94/15/1026639415.db2.gz AVJDZVOHTWPCNM-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO Cn1c(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC001139872939 1026689091 /nfs/dbraw/zinc/68/90/91/1026689091.db2.gz RMEDUHFWOMLLOM-UHFFFAOYSA-N 1 0 387.487 3.836 20 30 GHEDRO COCC[N@H+](Cc1cc(F)cc(C#N)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139878581 1026695045 /nfs/dbraw/zinc/69/50/45/1026695045.db2.gz OVCUCUAASCPAKP-IBGZPJMESA-N 1 0 391.487 3.545 20 30 GHEDRO N#Cc1c[nH]c2nc(N(c3cccc(F)c3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc12 ZINC001165479388 1026741722 /nfs/dbraw/zinc/74/17/22/1026741722.db2.gz WWHGZEIROQRWGF-XMSQKQJNSA-N 1 0 391.450 3.623 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccccc1-c1cncnc1)CCO2 ZINC001140019599 1026803878 /nfs/dbraw/zinc/80/38/78/1026803878.db2.gz GZGUQJMWYSQKRX-FYYLOGMGSA-N 1 0 379.504 3.717 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001165910775 1026866539 /nfs/dbraw/zinc/86/65/39/1026866539.db2.gz KEIFLHFERJMROH-UHFFFAOYSA-N 1 0 393.611 3.559 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3c[nH]c4ccc(C#N)cc34)C2)C1 ZINC001140110393 1026892206 /nfs/dbraw/zinc/89/22/06/1026892206.db2.gz LGOSFIGYUSUIQR-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H]4[C@H](CCN4Cc4nccs4)C3)c2c1 ZINC001140114561 1026897601 /nfs/dbraw/zinc/89/76/01/1026897601.db2.gz XHKGMRCBYAQWJX-UZLBHIALSA-N 1 0 377.517 3.592 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H](Oc4cc(C(F)(F)F)ncn4)C3)c2c1 ZINC001140117548 1026898863 /nfs/dbraw/zinc/89/88/63/1026898863.db2.gz TXSQRDDOLMBRAQ-CQSZACIVSA-N 1 0 387.365 3.502 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2CF)CC1 ZINC001140136688 1026910341 /nfs/dbraw/zinc/91/03/41/1026910341.db2.gz KIBDGGNDTMTBJY-IAGOWNOFSA-N 1 0 391.462 3.772 20 30 GHEDRO CCCNC(=O)c1ccccc1OC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC001140139632 1026913759 /nfs/dbraw/zinc/91/37/59/1026913759.db2.gz GIEYKHWLCWETQB-UHFFFAOYSA-N 1 0 395.478 3.881 20 30 GHEDRO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1O ZINC001140184590 1026956834 /nfs/dbraw/zinc/95/68/34/1026956834.db2.gz AQRVWGATSKGLNS-UHFFFAOYSA-N 1 0 378.476 3.667 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1=S ZINC000840152905 1027284601 /nfs/dbraw/zinc/28/46/01/1027284601.db2.gz OTWKVVLTEGZZFS-MRXNPFEDSA-N 1 0 389.544 3.778 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC001203402026 1027312870 /nfs/dbraw/zinc/31/28/70/1027312870.db2.gz CBOKBBSNOPLSAT-FQEVSTJZSA-N 1 0 398.934 3.651 20 30 GHEDRO CCc1c(C)nc2sc(C#N)c(Nc3ccnc(N4CC[NH2+]CC4)c3)c2c1C ZINC001210263851 1027411813 /nfs/dbraw/zinc/41/18/13/1027411813.db2.gz HEAJFOFCDBMFCW-UHFFFAOYSA-N 1 0 392.532 3.895 20 30 GHEDRO COc1cccc([C@H](C#N)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1OC ZINC000840324796 1027454096 /nfs/dbraw/zinc/45/40/96/1027454096.db2.gz ZARJXGVFYOIGDK-FQEVSTJZSA-N 1 0 393.487 3.684 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001203760895 1027583034 /nfs/dbraw/zinc/58/30/34/1027583034.db2.gz ROASQRMGGXPZBM-XMMPIXPASA-N 1 0 386.499 3.549 20 30 GHEDRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203903100 1027696758 /nfs/dbraw/zinc/69/67/58/1027696758.db2.gz PVUOSAAQXGLRPL-UHFFFAOYSA-N 1 0 397.526 3.858 20 30 GHEDRO COc1cccc(/C=N/C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1O ZINC000840705638 1027745436 /nfs/dbraw/zinc/74/54/36/1027745436.db2.gz HGEBEVMYGLNRGK-PFRKPPGBSA-N 1 0 394.515 3.749 20 30 GHEDRO CCOc1ccc(O)c(/C=N/C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000840708228 1027748653 /nfs/dbraw/zinc/74/86/53/1027748653.db2.gz DPRUXNPTAASQCN-BUVRLJJBSA-N 1 0 395.503 3.833 20 30 GHEDRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC001142006933 1027870415 /nfs/dbraw/zinc/87/04/15/1027870415.db2.gz MIABPIRDXLQQAG-NRFANRHFSA-N 1 0 399.878 3.789 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)cc1 ZINC000840955900 1027984250 /nfs/dbraw/zinc/98/42/50/1027984250.db2.gz ACGMFIWJMYJBCF-UHFFFAOYSA-N 1 0 391.920 3.826 20 30 GHEDRO CC(C)Oc1ccc(-c2ccc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c(F)c2)cc1 ZINC000841249649 1028334351 /nfs/dbraw/zinc/33/43/51/1028334351.db2.gz MHMITRMEJUCHAI-OXQOHEQNSA-N 1 0 382.439 3.513 20 30 GHEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461394912 1069531773 /nfs/dbraw/zinc/53/17/73/1069531773.db2.gz YHHKZSNAXRPHCZ-IAGOWNOFSA-N 1 0 377.533 3.685 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC001215277233 1029127856 /nfs/dbraw/zinc/12/78/56/1029127856.db2.gz DKOROOVCOANHOC-UHFFFAOYSA-N 1 0 375.872 3.774 20 30 GHEDRO CCOC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cc1 ZINC001142599809 1029128269 /nfs/dbraw/zinc/12/82/69/1029128269.db2.gz VBDYSMLYYJMGAG-UHFFFAOYSA-N 1 0 394.471 3.787 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001215512802 1029248083 /nfs/dbraw/zinc/24/80/83/1029248083.db2.gz WPSCXQMWUNAKBS-NQIIRXRSSA-N 1 0 393.462 3.576 20 30 GHEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC001461526145 1069592570 /nfs/dbraw/zinc/59/25/70/1069592570.db2.gz GELMTWMYEMLDRC-MRXNPFEDSA-N 1 0 377.271 3.720 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CCCN4C(=O)c4ccco4)CC3)c[nH]c2c1 ZINC001142915451 1029688083 /nfs/dbraw/zinc/68/80/83/1029688083.db2.gz AOLOCMADHLJWMJ-UHFFFAOYSA-N 1 0 388.471 3.903 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CCCC4(CCN(c5ncccn5)CC4)C3)c[nH]c2c1 ZINC001142916346 1029688503 /nfs/dbraw/zinc/68/85/03/1029688503.db2.gz SLFCCZXHFOVDNL-UHFFFAOYSA-N 1 0 386.503 3.712 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@]4(CCN(c5ccsc5)C4=O)C3)c[nH]c2c1 ZINC001142917107 1029690074 /nfs/dbraw/zinc/69/00/74/1029690074.db2.gz RVLUJMLPOLESAL-NRFANRHFSA-N 1 0 376.485 3.730 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@@H]4[C@@H](CCN4Cc4nccs4)C3)c[nH]c2c1 ZINC001142928594 1029709187 /nfs/dbraw/zinc/70/91/87/1029709187.db2.gz DKYPPSHKRPAMMX-OXJNMPFZSA-N 1 0 377.517 3.592 20 30 GHEDRO C=C[C@@H](Cc1nc(-c2ccc(N3CCC([NH3+])CC3)nc2)no1)c1ccccc1 ZINC000843147297 1029830043 /nfs/dbraw/zinc/83/00/43/1029830043.db2.gz VPDGMODCPLBFOR-INIZCTEOSA-N 1 0 375.476 3.571 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(OC)cc(C)cc1OC)C2 ZINC001143140052 1029864636 /nfs/dbraw/zinc/86/46/36/1029864636.db2.gz WFHUPPSMDUEJEQ-FGZHOGPDSA-N 1 0 375.509 3.586 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCCCC[C@@H]3C[C@@H](O)c3cccs3)cnc12 ZINC000843397609 1029969567 /nfs/dbraw/zinc/96/95/67/1029969567.db2.gz YYSVVJBVRBCBQP-QZTJIDSGSA-N 1 0 381.505 3.531 20 30 GHEDRO C#C[C@H](NC(=O)NCC[NH+](C(C)C)C(C)C)c1ccc(Br)cc1 ZINC001222126922 1029972383 /nfs/dbraw/zinc/97/23/83/1029972383.db2.gz HPZZRJDAGISJFY-KRWDZBQOSA-N 1 0 380.330 3.541 20 30 GHEDRO C[NH+](C)CCCCCCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001222896593 1030342938 /nfs/dbraw/zinc/34/29/38/1030342938.db2.gz VEHXXWLOYOOZAU-UHFFFAOYSA-N 1 0 383.458 3.868 20 30 GHEDRO C#C[C@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)c1ccc(Br)cc1 ZINC001222980659 1030379129 /nfs/dbraw/zinc/37/91/29/1030379129.db2.gz YDJZRMITSLIKKH-SFHVURJKSA-N 1 0 394.357 3.932 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NCC23CCC[NH+](CCC2)C3)cc1 ZINC001150042908 1030382455 /nfs/dbraw/zinc/38/24/55/1030382455.db2.gz APGKZXXWQWNEIY-UHFFFAOYSA-N 1 0 389.499 3.743 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001223403859 1030559250 /nfs/dbraw/zinc/55/92/50/1030559250.db2.gz YAEIZLBWWOROGK-NRFANRHFSA-N 1 0 379.504 3.715 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001223445622 1030577545 /nfs/dbraw/zinc/57/75/45/1030577545.db2.gz XBVIILJOFMRHAE-QYZOEREBSA-N 1 0 379.932 3.756 20 30 GHEDRO CC(C)(C)OC(=O)c1ccccc1-c1ccc(CO[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC001217829818 1030658632 /nfs/dbraw/zinc/65/86/32/1030658632.db2.gz APAAWYXDOVBHGK-NQIIRXRSSA-N 1 0 378.472 3.937 20 30 GHEDRO C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](OCC3(C(=O)OC)CC[NH2+]CC3)[C@@H]12 ZINC001217883290 1030668729 /nfs/dbraw/zinc/66/87/29/1030668729.db2.gz CQSHZFLBTJDQFG-QEXGSCJRSA-N 1 0 385.504 3.573 20 30 GHEDRO C[C@@H](Oc1ccccc1/C=N/CC/N=C/c1ccccc1O)C1CC[NH2+]CC1 ZINC001218007635 1030719224 /nfs/dbraw/zinc/71/92/24/1030719224.db2.gz XGEDVFGHMSVQIG-JGHUIIFASA-N 1 0 379.504 3.697 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@H]3C[NH2+]C[C@@H]3F)cc2)C=C1 ZINC001218015221 1030724671 /nfs/dbraw/zinc/72/46/71/1030724671.db2.gz NXMRRBQIMKRIDV-VXKWHMMOSA-N 1 0 377.415 3.578 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC001218027690 1030731077 /nfs/dbraw/zinc/73/10/77/1030731077.db2.gz AJJVSWHIMRHKGJ-ORTKWAJISA-N 1 0 397.471 3.769 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[NH2+][C@@H](C)C2)c1OC ZINC001218052217 1030742558 /nfs/dbraw/zinc/74/25/58/1030742558.db2.gz AHKLYKPLGGUILI-ZMMKQQPBSA-N 1 0 397.471 3.825 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@H]2CC[NH2+]C[C@H]2F)c(O)c1 ZINC001218066038 1030752667 /nfs/dbraw/zinc/75/26/67/1030752667.db2.gz IZHPJPHDUDERBO-QAPCUYQASA-N 1 0 383.460 3.694 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(O[C@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218088650 1030764286 /nfs/dbraw/zinc/76/42/86/1030764286.db2.gz BLMVORFQWQOJNI-PUBOZROYSA-N 1 0 393.439 3.625 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090869 1030766003 /nfs/dbraw/zinc/76/60/03/1030766003.db2.gz IYFOFJSLHVCZAH-WCOSXBGJSA-N 1 0 391.515 3.841 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@@H]3CSC4(C[NH2+]C4)C3)c2C1=O ZINC001218100605 1030772716 /nfs/dbraw/zinc/77/27/16/1030772716.db2.gz UIWYRPMDEKVVBG-HNNXBMFYSA-N 1 0 399.512 3.670 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c1 ZINC001218144270 1030795430 /nfs/dbraw/zinc/79/54/30/1030795430.db2.gz OGRHQCASTHIIQZ-WRJMIPTJSA-N 1 0 379.456 3.729 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC001218186038 1030812125 /nfs/dbraw/zinc/81/21/25/1030812125.db2.gz KSZOXBLYZLJDFH-YRWFTTLQSA-N 1 0 399.512 3.746 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)ccc1CCCc1ccc(OC)c(O)c1 ZINC001218211030 1030833168 /nfs/dbraw/zinc/83/31/68/1030833168.db2.gz OYELCPQEDUPIAH-HSZRJFAPSA-N 1 0 383.488 3.882 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1C[C@H]2[NH2+]CC[C@H]2C1 ZINC001218249989 1030851464 /nfs/dbraw/zinc/85/14/64/1030851464.db2.gz KSYCDHJQCMEQNB-SVYCHVSXSA-N 1 0 391.515 3.840 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[NH2+]CCC23CC3)c1 ZINC001218405695 1030923960 /nfs/dbraw/zinc/92/39/60/1030923960.db2.gz UOONODQYWQYVCK-OAQYLSRUSA-N 1 0 391.467 3.920 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001218407302 1030925157 /nfs/dbraw/zinc/92/51/57/1030925157.db2.gz OYMYHKXTLHTVGG-BVJJECBYSA-N 1 0 397.471 3.825 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c2nccc3c4ccccc4n(c32)c(=O)c1OC ZINC001218457178 1030944642 /nfs/dbraw/zinc/94/46/42/1030944642.db2.gz HSCWOOGLFIWHJZ-SJLPKXTDSA-N 1 0 389.455 3.523 20 30 GHEDRO Cc1cc(Oc2ccccc2)ncc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001218682794 1031034582 /nfs/dbraw/zinc/03/45/82/1031034582.db2.gz SGNXQRYGVKFKOK-RTWAWAEBSA-N 1 0 398.466 3.996 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@@H](c3ccccc3)C2)ccc1N1CCCCC1 ZINC001218943946 1031168576 /nfs/dbraw/zinc/16/85/76/1031168576.db2.gz FTMGKADKSDQGLI-SFTDATJTSA-N 1 0 388.515 3.880 20 30 GHEDRO N#Cc1cc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)ccc1N1CCCCC1 ZINC001218944693 1031168938 /nfs/dbraw/zinc/16/89/38/1031168938.db2.gz PCDLAIOCHCRELC-UHFFFAOYSA-N 1 0 388.515 3.808 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC001461749618 1069723279 /nfs/dbraw/zinc/72/32/79/1069723279.db2.gz AMPYWJURBFUMNK-QFIPXVFZSA-N 1 0 388.490 3.866 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC001219166707 1031284339 /nfs/dbraw/zinc/28/43/39/1031284339.db2.gz SHFPQWYTELSWHF-AEFFLSMTSA-N 1 0 375.513 3.892 20 30 GHEDRO COc1cccc2c(NC(=O)[C@@H]3C[C@@H](Cc4ccccc4C#N)C[NH2+]3)cccc12 ZINC001219362798 1031378952 /nfs/dbraw/zinc/37/89/52/1031378952.db2.gz WWEQUCJPYGPKFN-ZHRRBRCNSA-N 1 0 385.467 3.879 20 30 GHEDRO Cc1cc(NC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)ncc1C#N ZINC001219692371 1031559122 /nfs/dbraw/zinc/55/91/22/1031559122.db2.gz LTITWVSLXIGNDQ-FQEVSTJZSA-N 1 0 377.492 3.828 20 30 GHEDRO N#Cc1ccc(OC[C@H]2CN(Cc3ccccc3)CCO2)c(Br)c1 ZINC001225764494 1031589250 /nfs/dbraw/zinc/58/92/50/1031589250.db2.gz HIIFDOSTAJKNFL-QGZVFWFLSA-N 1 0 387.277 3.601 20 30 GHEDRO C=C[C@H](CC)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC001225824364 1031632370 /nfs/dbraw/zinc/63/23/70/1031632370.db2.gz JXQRFTABGIKHTD-SVHPSLOZSA-N 1 0 397.515 3.656 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c(F)c1F ZINC001219820810 1031633516 /nfs/dbraw/zinc/63/35/16/1031633516.db2.gz ZDPBLVSIFVHVKQ-YJYMSZOUSA-N 1 0 378.369 3.805 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC001219856072 1031657260 /nfs/dbraw/zinc/65/72/60/1031657260.db2.gz XUVMLHCTNTXTKF-OAQYLSRUSA-N 1 0 394.523 3.579 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)ccc1Cl ZINC001277085938 1031709130 /nfs/dbraw/zinc/70/91/30/1031709130.db2.gz LBWWNQNOBUAGNV-LJQANCHMSA-N 1 0 381.854 3.681 20 30 GHEDRO CN(C)c1ccc(F)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001220009868 1031743500 /nfs/dbraw/zinc/74/35/00/1031743500.db2.gz FJZXYFXLTVRKGF-UHFFFAOYSA-N 1 0 395.482 3.503 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cccc3nc(N)ccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001153813141 1031755421 /nfs/dbraw/zinc/75/54/21/1031755421.db2.gz UUGAZCWUDISELV-WGSAOQKQSA-N 1 0 399.498 3.601 20 30 GHEDRO CC1(C)CC(=O)C=C(NC(=O)C[C@H]([NH3+])C(c2ccccc2)c2ccccc2)C1 ZINC001220413214 1031931113 /nfs/dbraw/zinc/93/11/13/1031931113.db2.gz AVJITTBJFDJZSL-NRFANRHFSA-N 1 0 376.500 3.925 20 30 GHEDRO N#Cc1cccc2c1CC[C@H]2NC(=O)[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001220596778 1032002278 /nfs/dbraw/zinc/00/22/78/1032002278.db2.gz HVVOPGNXQCJSPL-DNQXCXABSA-N 1 0 381.479 3.899 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001220600199 1032004985 /nfs/dbraw/zinc/00/49/85/1032004985.db2.gz CZRGTXYSRVTWID-GMAHTHKFSA-N 1 0 398.595 3.601 20 30 GHEDRO CC(C)[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)[NH+]1CCC(C)CC1 ZINC001220614401 1032014354 /nfs/dbraw/zinc/01/43/54/1032014354.db2.gz IIZVVZLSQSHMKX-QFIPXVFZSA-N 1 0 382.552 3.577 20 30 GHEDRO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC001220616707 1032016328 /nfs/dbraw/zinc/01/63/28/1032016328.db2.gz KEHKCIGZCPOMOH-NRFANRHFSA-N 1 0 385.458 3.940 20 30 GHEDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001157116256 1033420498 /nfs/dbraw/zinc/42/04/98/1033420498.db2.gz NYXAPCZBLLPMAT-MRXNPFEDSA-N 1 0 380.473 3.527 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)ccc1F ZINC001205473324 1033428898 /nfs/dbraw/zinc/42/88/98/1033428898.db2.gz UZVFFGHFDOYMGV-QHCPKHFHSA-N 1 0 395.453 3.851 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001157174103 1033447752 /nfs/dbraw/zinc/44/77/52/1033447752.db2.gz ZOCWUJQRGHHTRO-OWZKRDHZSA-N 1 0 384.483 3.965 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1C#N ZINC001205528590 1033455567 /nfs/dbraw/zinc/45/55/67/1033455567.db2.gz MUVSIRPYERDFAY-UHFFFAOYSA-N 1 0 390.553 3.684 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N(C(N)=[NH2+])c3ccc(F)cc3)nc2)cc1 ZINC001157230515 1033482374 /nfs/dbraw/zinc/48/23/74/1033482374.db2.gz HCHPIYRJYQEJSP-UHFFFAOYSA-N 1 0 375.407 3.897 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229448621 1033487333 /nfs/dbraw/zinc/48/73/33/1033487333.db2.gz MSCWTQQGOVIHEH-ICSRJNTNSA-N 1 0 385.508 3.810 20 30 GHEDRO N#CCc1cnc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c(Cl)c1 ZINC001157329677 1033536667 /nfs/dbraw/zinc/53/66/67/1033536667.db2.gz YUCXLIMMRPTKIU-UHFFFAOYSA-N 1 0 378.867 3.634 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)n3ccc4c3CC[NH2+]C4)c(Cl)nn2)c1 ZINC001157454479 1033600473 /nfs/dbraw/zinc/60/04/73/1033600473.db2.gz YIDXKMCLTRCBDH-UHFFFAOYSA-N 1 0 385.805 3.713 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(-c2cccc(N3CC[NH2+]CC3)c2)c1C#N ZINC001205887667 1033620709 /nfs/dbraw/zinc/62/07/09/1033620709.db2.gz RHZOFJGHCQLDJO-UHFFFAOYSA-N 1 0 387.512 3.814 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(Br)cc(C)c3F)C2)C1=O ZINC001277413836 1033666386 /nfs/dbraw/zinc/66/63/86/1033666386.db2.gz IYSZEORSPUITBD-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO N#Cc1ccnc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1F ZINC001157667025 1033711421 /nfs/dbraw/zinc/71/14/21/1033711421.db2.gz DSMCMIRNQBXISB-UHFFFAOYSA-N 1 0 394.494 3.742 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(C4CCN([C@@H]5CC[NH2+]C5)CC4)n3)cc2)cc1 ZINC001206106422 1033721682 /nfs/dbraw/zinc/72/16/82/1033721682.db2.gz KPEIFGUTWIBPQP-JOCHJYFZSA-N 1 0 399.498 3.817 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(C3(Cc4ccc(F)cc4)CC[NH2+]CC3)n2)c1 ZINC001206349391 1033808102 /nfs/dbraw/zinc/80/81/02/1033808102.db2.gz PFHAHOJOBYHRGD-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(Br)ccc(C)c3F)C2)C1=O ZINC001277433935 1033814563 /nfs/dbraw/zinc/81/45/63/1033814563.db2.gz VJJMNVIJMNICNC-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO C[C@H]1CN(Cc2cc(Oc3ccc(C#N)cc3)ccc2Br)CC[NH2+]1 ZINC001206396694 1033826941 /nfs/dbraw/zinc/82/69/41/1033826941.db2.gz OGLDLVZBTBCCNR-AWEZNQCLSA-N 1 0 386.293 3.907 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001230153918 1033920697 /nfs/dbraw/zinc/92/06/97/1033920697.db2.gz LFEKQMGJOTTZDS-ZAOIQFLMSA-N 1 0 397.471 3.864 20 30 GHEDRO C=C(C)C[C@H](CO)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001206719660 1033956743 /nfs/dbraw/zinc/95/67/43/1033956743.db2.gz SUXRIRWKOWNEER-GOSISDBHSA-N 1 0 377.554 3.713 20 30 GHEDRO N#CCc1cncc(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)n1 ZINC001158424722 1034073339 /nfs/dbraw/zinc/07/33/39/1034073339.db2.gz HTYXLFWHGUVKKE-UHFFFAOYSA-N 1 0 395.510 3.844 20 30 GHEDRO C#C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1 ZINC001230479142 1034080998 /nfs/dbraw/zinc/08/09/98/1034080998.db2.gz XLQAQYBRCBIZIM-GIWBLDEGSA-N 1 0 391.490 3.664 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001158482352 1034100256 /nfs/dbraw/zinc/10/02/56/1034100256.db2.gz UTCDNGODLYGFAE-UHFFFAOYSA-N 1 0 377.879 3.664 20 30 GHEDRO N#Cc1cc(N2CC[NH+](Cc3cccc(N)c3)CC2)nc2ccc(Cl)cc12 ZINC001158485138 1034103653 /nfs/dbraw/zinc/10/36/53/1034103653.db2.gz ICOZUZUEOBJEAV-UHFFFAOYSA-N 1 0 377.879 3.664 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001230917935 1034286818 /nfs/dbraw/zinc/28/68/18/1034286818.db2.gz RQJLXZPTKBGPMB-RXVVDRJESA-N 1 0 376.504 3.577 20 30 GHEDRO C#CCC[C@@H](O)C[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001207381225 1034326236 /nfs/dbraw/zinc/32/62/36/1034326236.db2.gz HXKWPSWAURLKEP-RDTXWAMCSA-N 1 0 376.294 3.734 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCc4cccc(Cl)c4)C3)CC2=O)c1 ZINC001207423251 1034357907 /nfs/dbraw/zinc/35/79/07/1034357907.db2.gz FTYPBWPESNBVCZ-QFIPXVFZSA-N 1 0 379.891 3.883 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1ccccc1Br)C2 ZINC001207530977 1034434411 /nfs/dbraw/zinc/43/44/11/1034434411.db2.gz ICYVLPMJGYBRAN-PKOBYXMFSA-N 1 0 380.326 3.818 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(/N=C/c4ccccc4)cc3)C[C@H]1[N@@H+]2C ZINC001231204222 1034462639 /nfs/dbraw/zinc/46/26/39/1034462639.db2.gz YORLIMINTPPZQN-HRRRAADESA-N 1 0 378.472 3.983 20 30 GHEDRO N#Cc1ccc(CNC(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)s1 ZINC001159179070 1034468474 /nfs/dbraw/zinc/46/84/74/1034468474.db2.gz DCEXFTBHYUBQEU-UHFFFAOYSA-N 1 0 380.851 3.884 20 30 GHEDRO COC(=O)c1sc2nc(C)ccc2c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159254578 1034505520 /nfs/dbraw/zinc/50/55/20/1034505520.db2.gz JHTSCXMOAFHXBT-UHFFFAOYSA-N 1 0 378.457 3.693 20 30 GHEDRO N#Cc1cnn(-c2ccccc2Br)c1Nc1cccc(OCC[NH3+])c1 ZINC001159311202 1034538308 /nfs/dbraw/zinc/53/83/08/1034538308.db2.gz HUGQPJHNUBDUJV-UHFFFAOYSA-N 1 0 398.264 3.588 20 30 GHEDRO N#Cc1cc(Nc2ccc3nccnc3c2Br)cc(C2C[NH2+]C2)c1 ZINC001159510781 1034626689 /nfs/dbraw/zinc/62/66/89/1034626689.db2.gz QPEUGJYYWNNEBW-UHFFFAOYSA-N 1 0 380.249 3.694 20 30 GHEDRO N#CCc1ccnc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001159521727 1034638086 /nfs/dbraw/zinc/63/80/86/1034638086.db2.gz ZZBANIUHXOGHSP-QHCPKHFHSA-N 1 0 386.499 3.623 20 30 GHEDRO N#Cc1ccc(C(F)(F)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)nc1Cl ZINC001159538185 1034651993 /nfs/dbraw/zinc/65/19/93/1034651993.db2.gz KCDIQRDGRVYSFG-UHFFFAOYSA-N 1 0 380.870 3.885 20 30 GHEDRO N#Cc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)nc2ccc([N+](=O)[O-])cc12 ZINC001159546563 1034655742 /nfs/dbraw/zinc/65/57/42/1034655742.db2.gz RABNTOHBXXVCCJ-UHFFFAOYSA-N 1 0 391.475 3.749 20 30 GHEDRO Cc1ccc(I)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159548288 1034657334 /nfs/dbraw/zinc/65/73/34/1034657334.db2.gz FERFWFKPJHVOHM-UHFFFAOYSA-N 1 0 389.240 3.902 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)CC2 ZINC001231522717 1034673960 /nfs/dbraw/zinc/67/39/60/1034673960.db2.gz SAMGRNDBKIXKIF-IBGZPJMESA-N 1 0 382.426 3.944 20 30 GHEDRO N#Cc1c2c(cnc1N[C@H]1CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC1)CCCC2 ZINC001159632088 1034697429 /nfs/dbraw/zinc/69/74/29/1034697429.db2.gz YPEFDCNKXDXTRV-MEMLXQNLSA-N 1 0 393.579 3.583 20 30 GHEDRO N#Cc1cc(Nc2cccc(CN3CC[NH2+]CC3)c2)ccc1N1CCCCC1 ZINC001159700014 1034716273 /nfs/dbraw/zinc/71/62/73/1034716273.db2.gz ALOOZKHCKXGDGH-UHFFFAOYSA-N 1 0 375.520 3.697 20 30 GHEDRO N#Cc1cc(Nc2ccc(C(=O)c3ccccc3)cc2)ccc1N1CC[NH2+]CC1 ZINC001159742781 1034730733 /nfs/dbraw/zinc/73/07/33/1034730733.db2.gz NRJIKUZIEVDFGK-UHFFFAOYSA-N 1 0 382.467 3.942 20 30 GHEDRO C=C(C)[C@@H]1CC=C(CN2CC[N@@H+]3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)CC1 ZINC001208170673 1034771611 /nfs/dbraw/zinc/77/16/11/1034771611.db2.gz KJZNZLHXVONALQ-NHTMILBNSA-N 1 0 381.564 3.968 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)CC1 ZINC001208174406 1034772283 /nfs/dbraw/zinc/77/22/83/1034772283.db2.gz DFXCLVICACHXEK-KCZVDYSFSA-N 1 0 384.520 3.745 20 30 GHEDRO N#Cc1cc(F)cc(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)c1 ZINC001159961646 1034803526 /nfs/dbraw/zinc/80/35/26/1034803526.db2.gz DMFBPKXGYJKQAF-UHFFFAOYSA-N 1 0 378.373 3.865 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3cccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC001160100133 1034859559 /nfs/dbraw/zinc/85/95/59/1034859559.db2.gz SNECZXXNTBQMNR-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO CCOC(=O)c1c(C)ccnc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160107722 1034864117 /nfs/dbraw/zinc/86/41/17/1034864117.db2.gz ZKBMSQLCWVDANV-UHFFFAOYSA-N 1 0 378.476 3.537 20 30 GHEDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC001208408870 1034886779 /nfs/dbraw/zinc/88/67/79/1034886779.db2.gz MGPYRDOLHVGLRX-NRFANRHFSA-N 1 0 392.503 3.989 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)cc1 ZINC001231819512 1034927424 /nfs/dbraw/zinc/92/74/24/1034927424.db2.gz OVYQKGUFXIGGBM-UHFFFAOYSA-N 1 0 387.487 3.687 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N(C)C)cc1OC)[C@H]2CC ZINC001231851320 1034941549 /nfs/dbraw/zinc/94/15/49/1034941549.db2.gz FDDLVHPOKODVRD-GMAHTHKFSA-N 1 0 385.552 3.683 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001208740135 1034993050 /nfs/dbraw/zinc/99/30/50/1034993050.db2.gz UCVIUPUWBSBRJG-UHFFFAOYSA-N 1 0 397.544 3.721 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCc4ccc(Cl)cc4)C3)CC2=O)c1 ZINC001208743319 1034993616 /nfs/dbraw/zinc/99/36/16/1034993616.db2.gz GRFDOKGEDZNOPH-QFIPXVFZSA-N 1 0 379.891 3.883 20 30 GHEDRO C=CCOC[C@H]1C[N@@H+](CCc2ccc(Cl)cc2)Cc2nnn(CC3CC3)c21 ZINC001208740743 1034993943 /nfs/dbraw/zinc/99/39/43/1034993943.db2.gz UBOZTQQCADSUCI-GOSISDBHSA-N 1 0 386.927 3.686 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@H+](CCOCCOCc3ccccc3)C2)cc1 ZINC001208753205 1034999425 /nfs/dbraw/zinc/99/94/25/1034999425.db2.gz GCYDEYNXDPHPOG-HSZRJFAPSA-N 1 0 380.488 3.635 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)cc1Cl ZINC001277596600 1035027783 /nfs/dbraw/zinc/02/77/83/1035027783.db2.gz HEWIMBCNSJJWOA-KRWDZBQOSA-N 1 0 385.817 3.588 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCCCCOCc1ccccc1 ZINC001208813553 1035035025 /nfs/dbraw/zinc/03/50/25/1035035025.db2.gz LGAXKBBDERXBDL-JOCHJYFZSA-N 1 0 383.536 3.909 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c1 ZINC001208850062 1035056960 /nfs/dbraw/zinc/05/69/60/1035056960.db2.gz VWWSBPWVHLOXHR-UHFFFAOYSA-N 1 0 375.520 3.663 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001208851605 1035058341 /nfs/dbraw/zinc/05/83/41/1035058341.db2.gz AJYCQVVVDXXIFQ-LADGPHEKSA-N 1 0 391.515 3.836 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1 ZINC001208852893 1035059240 /nfs/dbraw/zinc/05/92/40/1035059240.db2.gz WAOPRJGEWZOOEI-FYYLOGMGSA-N 1 0 377.488 3.588 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)c1 ZINC001208852430 1035059417 /nfs/dbraw/zinc/05/94/17/1035059417.db2.gz JXARJSQCPDIUMC-QFIPXVFZSA-N 1 0 379.548 3.899 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001208854789 1035060609 /nfs/dbraw/zinc/06/06/09/1035060609.db2.gz UOYDYSFYELULIE-QGZVFWFLSA-N 1 0 390.409 3.843 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2ncn(CC3CC3)c21 ZINC001208856041 1035061895 /nfs/dbraw/zinc/06/18/95/1035061895.db2.gz JHFSNDVBPNKRDC-OAQYLSRUSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)cc1 ZINC001208861477 1035064684 /nfs/dbraw/zinc/06/46/84/1035064684.db2.gz LEGRGCRUYNQPKN-DNVJHFABSA-N 1 0 377.488 3.587 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)cc1 ZINC001208862087 1035064914 /nfs/dbraw/zinc/06/49/14/1035064914.db2.gz SYSMQDUEMHEDFM-UHFFFAOYSA-N 1 0 375.520 3.663 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)cc1 ZINC001208920671 1035088879 /nfs/dbraw/zinc/08/88/79/1035088879.db2.gz MEKYHOVPPDPVDQ-QFIPXVFZSA-N 1 0 375.472 3.759 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CCc3ccc(C#N)cc3)O2)cs1 ZINC001208922754 1035089672 /nfs/dbraw/zinc/08/96/72/1035089672.db2.gz KKGQMBQYHRHWDB-BHDDXSALSA-N 1 0 397.544 3.704 20 30 GHEDRO N#Cc1ccc(CN2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)cc1Cl ZINC001232111432 1035099970 /nfs/dbraw/zinc/09/99/70/1035099970.db2.gz BTGYZANEOWWWDT-RBBKRZOGSA-N 1 0 397.906 3.947 20 30 GHEDRO CC1(C)[C@H](C(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C[C@@H]1[NH3+] ZINC001160994052 1035114562 /nfs/dbraw/zinc/11/45/62/1035114562.db2.gz KHHNAZWHDCMPMN-FSSWDIPSSA-N 1 0 387.527 3.718 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232136767 1035116566 /nfs/dbraw/zinc/11/65/66/1035116566.db2.gz XXRBEUBJNLQLOS-UHFFFAOYSA-N 1 0 390.443 3.660 20 30 GHEDRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161152356 1035160832 /nfs/dbraw/zinc/16/08/32/1035160832.db2.gz HXYBZDJBCOKOFA-QFIPXVFZSA-N 1 0 380.919 3.761 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCCC(C)(C)OC(C)=O)C[C@@H]2c2ccccc2)C1=O ZINC001209152728 1035194589 /nfs/dbraw/zinc/19/45/89/1035194589.db2.gz USWULJXQGKSBAD-QPPBQGQZSA-N 1 0 398.547 3.612 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](CC[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001209177898 1035202126 /nfs/dbraw/zinc/20/21/26/1035202126.db2.gz SPFIMCJPVWVOIL-ZWKOTPCHSA-N 1 0 395.544 3.543 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC001209330522 1035243660 /nfs/dbraw/zinc/24/36/60/1035243660.db2.gz SRWAELRUPDQRCA-SJORKVTESA-N 1 0 382.430 3.527 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CCC([NH3+])(c4cccnc4)CC3)nc2)cc1 ZINC001161588550 1035266553 /nfs/dbraw/zinc/26/65/53/1035266553.db2.gz ZPRCIDVTGZQUEY-UHFFFAOYSA-N 1 0 399.498 3.576 20 30 GHEDRO CC(C)[NH+]1CCC(c2nc(-c3ccc(Br)cc3C#N)no2)CC1 ZINC001248103171 1035532271 /nfs/dbraw/zinc/53/22/71/1035532271.db2.gz RAFQCEHSRRXCQB-UHFFFAOYSA-N 1 0 375.270 3.959 20 30 GHEDRO Cc1ccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)cc1Br ZINC001248154715 1035580314 /nfs/dbraw/zinc/58/03/14/1035580314.db2.gz NUXYWNVEHKRKOA-MRXNPFEDSA-N 1 0 397.276 3.792 20 30 GHEDRO CCOc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1Cl ZINC001248156732 1035583036 /nfs/dbraw/zinc/58/30/36/1035583036.db2.gz BXKVSBGSJWXOCM-MRXNPFEDSA-N 1 0 382.851 3.773 20 30 GHEDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)c(Br)c1 ZINC001248156710 1035583223 /nfs/dbraw/zinc/58/32/23/1035583223.db2.gz KWYBVPBTCLVSSO-HNNXBMFYSA-N 1 0 397.276 3.792 20 30 GHEDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1Br ZINC001248158113 1035584669 /nfs/dbraw/zinc/58/46/69/1035584669.db2.gz XKRFXKRNISIHHS-INIZCTEOSA-N 1 0 397.276 3.792 20 30 GHEDRO Cc1cc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)ccc1Br ZINC001248179059 1035606851 /nfs/dbraw/zinc/60/68/51/1035606851.db2.gz DASLFADVZQDMCQ-INIZCTEOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cccc(OC(F)(F)F)c2)no1 ZINC001248179554 1035607976 /nfs/dbraw/zinc/60/79/76/1035607976.db2.gz JOCYMAKPJZXEBE-HNNXBMFYSA-N 1 0 388.349 3.619 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2CC#N)cc1 ZINC001241771206 1035690550 /nfs/dbraw/zinc/69/05/50/1035690550.db2.gz OHISQQYJCAHDKN-UHFFFAOYSA-N 1 0 375.394 3.730 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(-c2cc(OC3CCC3)cc(F)c2C#N)cc1 ZINC001241771056 1035691059 /nfs/dbraw/zinc/69/10/59/1035691059.db2.gz SCLIJNCORJBWSK-UHFFFAOYSA-N 1 0 381.451 3.587 20 30 GHEDRO COc1cc2cc(C#N)c(-c3ccc(OCC[NH+](C)C)cc3)nc2cc1OC ZINC001242147315 1035832759 /nfs/dbraw/zinc/83/27/59/1035832759.db2.gz ACKQFWOMCVLFJP-UHFFFAOYSA-N 1 0 377.444 3.731 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1 ZINC001248751077 1036108316 /nfs/dbraw/zinc/10/83/16/1036108316.db2.gz IIHQKQYWHICTHI-UHFFFAOYSA-N 1 0 377.488 3.524 20 30 GHEDRO CCCN(CCC)C(=O)c1cccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001244214943 1036433266 /nfs/dbraw/zinc/43/32/66/1036433266.db2.gz RTOZRZZFYJIBNX-UHFFFAOYSA-N 1 0 390.531 3.897 20 30 GHEDRO CCOC(=O)c1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c(OC)c1 ZINC001244533901 1036537127 /nfs/dbraw/zinc/53/71/27/1036537127.db2.gz VGACIOQJOTUHPO-UHFFFAOYSA-N 1 0 380.444 3.541 20 30 GHEDRO C[C@@H](c1ccc(-c2ccc(OC3CCOCC3)c(C#N)c2)cc1)N1CC[NH2+]CC1 ZINC001245311808 1036871401 /nfs/dbraw/zinc/87/14/01/1036871401.db2.gz PNSSASXCBZJPHE-SFHVURJKSA-N 1 0 391.515 3.749 20 30 GHEDRO N#CCc1ccc(OCc2ccc(C3=CC[C@@H]([NH+]4CCOCC4)CC3)nc2)cc1 ZINC001245418257 1036915484 /nfs/dbraw/zinc/91/54/84/1036915484.db2.gz IVQARLKRFKAGIS-JOCHJYFZSA-N 1 0 389.499 3.995 20 30 GHEDRO Cc1c(F)cccc1C[NH+]1CCC(NC(=S)Nc2ccc(C#N)cc2)CC1 ZINC001245951042 1037076297 /nfs/dbraw/zinc/07/62/97/1037076297.db2.gz SRIAOVWYCKTCBZ-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1 ZINC001246010613 1037131582 /nfs/dbraw/zinc/13/15/82/1037131582.db2.gz BVGCSNYRYDEKIM-FCHUYYIVSA-N 1 0 392.584 3.929 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC2CC1(C[NH3+])C2 ZINC001246029300 1037145873 /nfs/dbraw/zinc/14/58/73/1037145873.db2.gz WEMOARJDPNUSJW-OOMBGRCJSA-N 1 0 398.632 3.725 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@@H]([NH2+]C)C1 ZINC001246044076 1037158044 /nfs/dbraw/zinc/15/80/44/1037158044.db2.gz IDMLQWQJQQGWPE-YADHBBJMSA-N 1 0 386.621 3.595 20 30 GHEDRO N#C[C@@H]1CNCCN1C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246594811 1037492718 /nfs/dbraw/zinc/49/27/18/1037492718.db2.gz RXWISUFLFFCJHE-DDJHWDJXSA-N 1 0 388.559 3.797 20 30 GHEDRO CSc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001277688327 1038387544 /nfs/dbraw/zinc/38/75/44/1038387544.db2.gz JHUDLGGTWSPGMF-IBGZPJMESA-N 1 0 377.941 3.790 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(C)cc4C#N)C3)CC2=O)cc1 ZINC001232963550 1038737876 /nfs/dbraw/zinc/73/78/76/1038737876.db2.gz JEJKQZHNLLWJBV-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(C#N)c1 ZINC001232965310 1038738551 /nfs/dbraw/zinc/73/85/51/1038738551.db2.gz VESCUMYASJRIGE-DQEYMECFSA-N 1 0 393.575 3.827 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c(C#N)c1 ZINC001232966189 1038740386 /nfs/dbraw/zinc/74/03/86/1038740386.db2.gz NRYDDDINJNPJBV-RPWUZVMVSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(C#N)cc2C)n1 ZINC001233079260 1038846614 /nfs/dbraw/zinc/84/66/14/1038846614.db2.gz ATYAEGHDACQCRY-YTFSRNRJSA-N 1 0 377.488 3.519 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@@H]1CC ZINC001252125804 1038872379 /nfs/dbraw/zinc/87/23/79/1038872379.db2.gz HASDMEQIZNJHHF-FUDKSRODSA-N 1 0 396.616 3.980 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001252126294 1038874182 /nfs/dbraw/zinc/87/41/82/1038874182.db2.gz OJSDIHCOQQYTRF-UNMCSNQZSA-N 1 0 377.573 3.853 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001252127200 1038879166 /nfs/dbraw/zinc/87/91/66/1038879166.db2.gz YKCBLUAVWCQUNA-FPOVZHCZSA-N 1 0 375.557 3.927 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC001252129020 1038880703 /nfs/dbraw/zinc/88/07/03/1038880703.db2.gz UUJYHQGJSCIBJZ-QRQLOZEOSA-N 1 0 379.570 3.543 20 30 GHEDRO [NH2+]=C(NC[C@H](O)COc1cccc2ccccc21)c1ccc2cc(O)ccc2c1 ZINC001252398373 1038980421 /nfs/dbraw/zinc/98/04/21/1038980421.db2.gz KCJKICKITIGUDM-NRFANRHFSA-N 1 0 386.451 3.844 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(O)c(OCC3CC3)c1)CC2 ZINC001233226588 1038986009 /nfs/dbraw/zinc/98/60/09/1038986009.db2.gz PJGXPSZVTKNHCV-QHCPKHFHSA-N 1 0 384.520 3.714 20 30 GHEDRO C=CCOC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC001252491630 1039005668 /nfs/dbraw/zinc/00/56/68/1039005668.db2.gz SPLKXFTXXNRFPN-VQIMIIECSA-N 1 0 376.294 3.692 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC001252553279 1039030668 /nfs/dbraw/zinc/03/06/68/1039030668.db2.gz VNWDNIQKJYVOGV-QFIPXVFZSA-N 1 0 380.467 3.652 20 30 GHEDRO C=C[C@](C)(O)C[N@@H+](Cc1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001252555737 1039030802 /nfs/dbraw/zinc/03/08/02/1039030802.db2.gz BESYNINXWIXKIB-QFIPXVFZSA-N 1 0 392.515 3.964 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC001233288351 1039066980 /nfs/dbraw/zinc/06/69/80/1039066980.db2.gz HWYGJOQCEXEETQ-ICSRJNTNSA-N 1 0 381.900 3.628 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@@H](O)CNC(=[NH2+])c2ccc3ccccc3n2)cc1 ZINC001252769255 1039161748 /nfs/dbraw/zinc/16/17/48/1039161748.db2.gz MHJBMBSRUIJGMI-SFHVURJKSA-N 1 0 377.488 3.678 20 30 GHEDRO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccc(C#N)cc4[O-])C[C@H]3O2)n1 ZINC001233383907 1039208217 /nfs/dbraw/zinc/20/82/17/1039208217.db2.gz AFQIHPXSNQZVOD-ORYQWCPZSA-N 1 0 378.476 3.529 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(C#N)cc2[O-])C2CC2)C1 ZINC001233387998 1039210372 /nfs/dbraw/zinc/21/03/72/1039210372.db2.gz HUHHYPBLYAVZAM-KRWDZBQOSA-N 1 0 385.508 3.875 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CCC(=O)N2CCOC)CC1 ZINC001252986193 1039314531 /nfs/dbraw/zinc/31/45/31/1039314531.db2.gz TWPXIRLCEWKQIA-OAQYLSRUSA-N 1 0 396.616 3.982 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@H](O)COC[C@@H](CC)CCCC)C2 ZINC001252994361 1039321815 /nfs/dbraw/zinc/32/18/15/1039321815.db2.gz AJOSMDNWKUDLNU-QNWVGRARSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453077 1039336613 /nfs/dbraw/zinc/33/66/13/1039336613.db2.gz UKYPBLFIOFWGDO-OALUTQOASA-N 1 0 385.426 3.985 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(C(F)(F)F)cc1O)CCC2 ZINC001233453167 1039340434 /nfs/dbraw/zinc/34/04/34/1039340434.db2.gz XPIOUXDKLHNROR-UHFFFAOYSA-N 1 0 381.398 3.716 20 30 GHEDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001233510378 1039399717 /nfs/dbraw/zinc/39/97/17/1039399717.db2.gz LMAXXXBFOKELBU-CZUORRHYSA-N 1 0 376.382 3.971 20 30 GHEDRO CCOC(=O)c1c[nH]c2cc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc21 ZINC001233540372 1039425321 /nfs/dbraw/zinc/42/53/21/1039425321.db2.gz TYVAVDSKMYYZHG-LJQANCHMSA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001253236507 1039491896 /nfs/dbraw/zinc/49/18/96/1039491896.db2.gz DPRLDMWEVDMFSG-FNAHDJPLSA-N 1 0 388.552 3.827 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC001253242174 1039498504 /nfs/dbraw/zinc/49/85/04/1039498504.db2.gz HVLFEJBAUBCGJZ-OAQYLSRUSA-N 1 0 388.552 3.777 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001253254076 1039504145 /nfs/dbraw/zinc/50/41/45/1039504145.db2.gz MHHLJCQNUSARKH-NRFANRHFSA-N 1 0 394.581 3.594 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC1(c2ncccc2OC)CCOCC1 ZINC001253254804 1039505584 /nfs/dbraw/zinc/50/55/84/1039505584.db2.gz SWBQZCGWBBLRTG-LJQANCHMSA-N 1 0 376.541 3.616 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001253255907 1039505618 /nfs/dbraw/zinc/50/56/18/1039505618.db2.gz NXDVWODQWISDNF-NRFANRHFSA-N 1 0 388.552 3.777 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001253255959 1039505916 /nfs/dbraw/zinc/50/59/16/1039505916.db2.gz PRJPXRRGEQWZMZ-NRFANRHFSA-N 1 0 383.536 3.640 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC001233743220 1039582629 /nfs/dbraw/zinc/58/26/29/1039582629.db2.gz WJXLAUZBYIZAEA-NDXORKPFSA-N 1 0 381.907 3.834 20 30 GHEDRO C#C[C@H]1CCCN(Cc2cc(C)cc(Br)c2OCC(=O)OCC)C1 ZINC001462387489 1070218399 /nfs/dbraw/zinc/21/83/99/1070218399.db2.gz ZDHKOOQTOTXOOQ-HNNXBMFYSA-N 1 0 394.309 3.545 20 30 GHEDRO COC(=O)C[C@@H]1CCc2cc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc21 ZINC001233780990 1039612855 /nfs/dbraw/zinc/61/28/55/1039612855.db2.gz QKOXFWKANNEOIS-AVRDEDQJSA-N 1 0 390.483 3.804 20 30 GHEDRO CC#C[C@@H](CC(=O)OCC)c1ccc(OC2CC[NH+](CCCOC)CC2)cc1 ZINC001233792949 1039622118 /nfs/dbraw/zinc/62/21/18/1039622118.db2.gz ICOCJJXWOSGFFB-FQEVSTJZSA-N 1 0 387.520 3.626 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610697 1039719395 /nfs/dbraw/zinc/71/93/95/1039719395.db2.gz VYTGQJTZKJJAGZ-MOPGFXCFSA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[N@H+](C)CC1COC1 ZINC001253615550 1039726269 /nfs/dbraw/zinc/72/62/69/1039726269.db2.gz KJIIHGBERSQHFB-JOCHJYFZSA-N 1 0 387.605 3.880 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC001253616601 1039729370 /nfs/dbraw/zinc/72/93/70/1039729370.db2.gz HDXPNVZPEOGTOB-YADHBBJMSA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC001253617126 1039729450 /nfs/dbraw/zinc/72/94/50/1039729450.db2.gz ZZUOTKGDDHUJFX-FGZHOGPDSA-N 1 0 387.605 3.616 20 30 GHEDRO Cc1cc(Br)cc(C#N)c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001234011698 1039761765 /nfs/dbraw/zinc/76/17/65/1039761765.db2.gz ASBIYDOMPSTMCL-QAQDUYKDSA-N 1 0 379.298 3.651 20 30 GHEDRO CCCCCCCCC[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914762 1039898275 /nfs/dbraw/zinc/89/82/75/1039898275.db2.gz GVPDYTVCQLLBAP-UXHICEINSA-N 1 0 380.483 3.847 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1sc(Br)cc1C)CC2 ZINC001277840445 1039929371 /nfs/dbraw/zinc/92/93/71/1039929371.db2.gz FXZZYNRWJKOACI-ZDUSSCGKSA-N 1 0 383.355 3.723 20 30 GHEDRO C[NH+](C)C1CCC(Oc2cc(F)c(C#N)cc2I)CC1 ZINC001234390957 1039997131 /nfs/dbraw/zinc/99/71/31/1039997131.db2.gz NMDHETKVNVJCJS-UHFFFAOYSA-N 1 0 388.224 3.554 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001254282109 1040130432 /nfs/dbraw/zinc/13/04/32/1040130432.db2.gz QVMLBRAHWLGUMR-UFYCRDLUSA-N 1 0 392.337 3.742 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC001254348949 1040181879 /nfs/dbraw/zinc/18/18/79/1040181879.db2.gz FDZAIDFZXHYENQ-WQMHRJNTSA-N 1 0 383.511 3.910 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)CC1 ZINC001254354984 1040188554 /nfs/dbraw/zinc/18/85/54/1040188554.db2.gz ODVCSUUVHSDFDZ-IQWMQGJTSA-N 1 0 391.494 3.674 20 30 GHEDRO Cc1cncnc1O[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254360146 1040192409 /nfs/dbraw/zinc/19/24/09/1040192409.db2.gz XARYSROKQLSSGK-SNCIUUNGSA-N 1 0 380.467 3.781 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](C4CCC5(CC5)CC4)C3)C2)n1 ZINC001254442786 1040233806 /nfs/dbraw/zinc/23/38/06/1040233806.db2.gz OBCGSEGBJMWQEP-QHCPKHFHSA-N 1 0 380.536 3.595 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001254482293 1040269489 /nfs/dbraw/zinc/26/94/89/1040269489.db2.gz RTXLJBWROPNNBS-WZONZLPQSA-N 1 0 394.563 3.712 20 30 GHEDRO COc1ccc2c(c1)O[C@H](c1ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)N4C)cc1)CC2 ZINC001234753756 1040282405 /nfs/dbraw/zinc/28/24/05/1040282405.db2.gz AWEZFIPMAQHGKB-AIGJZXDYSA-N 1 0 393.483 3.753 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)C1 ZINC001254595963 1040369569 /nfs/dbraw/zinc/36/95/69/1040369569.db2.gz ANAKPOOSEPMDLS-FQEVSTJZSA-N 1 0 399.491 3.563 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)(c2ccccn2)CC1 ZINC001254650380 1040418448 /nfs/dbraw/zinc/41/84/48/1040418448.db2.gz ZWGSMPXMFFMJRT-ZWKOTPCHSA-N 1 0 384.524 3.632 20 30 GHEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)C1 ZINC001462464009 1070272408 /nfs/dbraw/zinc/27/24/08/1070272408.db2.gz XYRDAFOCZNZLOV-KRWDZBQOSA-N 1 0 375.513 3.735 20 30 GHEDRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)Oc2ccccc21 ZINC001254663165 1040425358 /nfs/dbraw/zinc/42/53/58/1040425358.db2.gz OWOVXNKQPQZFSY-VAMGGRTRSA-N 1 0 395.547 3.994 20 30 GHEDRO CCCCCCCCOc1ccc(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)cc1 ZINC001234996729 1040492789 /nfs/dbraw/zinc/49/27/89/1040492789.db2.gz CYUDTKFSXXILGB-HSZRJFAPSA-N 1 0 390.568 3.617 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235033536 1040525443 /nfs/dbraw/zinc/52/54/43/1040525443.db2.gz XUMLAZCNKINFFW-OXJNMPFZSA-N 1 0 398.304 3.907 20 30 GHEDRO O=C(CC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001254936805 1040677382 /nfs/dbraw/zinc/67/73/82/1040677382.db2.gz XDBFITOSKGXXIN-JKHIJQBDSA-N 1 0 398.506 3.670 20 30 GHEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2)CC1 ZINC001255162239 1040881568 /nfs/dbraw/zinc/88/15/68/1040881568.db2.gz KWHKRIQPLANHBK-BRWVUGGUSA-N 1 0 378.314 3.772 20 30 GHEDRO N#Cc1cc(CN2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1Br ZINC001235376693 1040889501 /nfs/dbraw/zinc/88/95/01/1040889501.db2.gz HQPPTFNEEDTOMC-CTNGQTDRSA-N 1 0 396.332 3.900 20 30 GHEDRO Cc1ccc(CNC(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1C#N ZINC001255195515 1040901309 /nfs/dbraw/zinc/90/13/09/1040901309.db2.gz RYBIVPYHMQFJDM-UHFFFAOYSA-N 1 0 378.520 3.573 20 30 GHEDRO CCOC(=O)C1CCC([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001255254251 1040928176 /nfs/dbraw/zinc/92/81/76/1040928176.db2.gz MTOQWUOSYOLRGT-AZOSJMHDSA-N 1 0 395.503 3.816 20 30 GHEDRO CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)C1 ZINC001255371579 1040966893 /nfs/dbraw/zinc/96/68/93/1040966893.db2.gz PGFNWPYPOBOVQS-ZWKOTPCHSA-N 1 0 386.492 3.532 20 30 GHEDRO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4ccccc4CC#N)C[C@H]2C3)c1 ZINC001235513153 1040969826 /nfs/dbraw/zinc/96/98/26/1040969826.db2.gz GCZKWYPIMXEANC-IRLDBZIGSA-N 1 0 398.510 3.933 20 30 GHEDRO N#Cc1c(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cccc1[N+](=O)[O-] ZINC001255486879 1041086077 /nfs/dbraw/zinc/08/60/77/1041086077.db2.gz LFWPNAQISHSFET-HNNXBMFYSA-N 1 0 375.388 3.506 20 30 GHEDRO N#Cc1cc(F)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c(F)c1 ZINC001235657557 1041104909 /nfs/dbraw/zinc/10/49/09/1041104909.db2.gz RCYCDMMBPFKMRY-QHCPKHFHSA-N 1 0 393.437 3.737 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235683092 1041152535 /nfs/dbraw/zinc/15/25/35/1041152535.db2.gz NDIMAVXPGHJCNL-UHFFFAOYSA-N 1 0 386.471 3.703 20 30 GHEDRO N#Cc1ccc2cc(CN3CC[NH2+][C@@H](c4cccc(Br)c4)C3)[nH]c2c1 ZINC001235798467 1041300475 /nfs/dbraw/zinc/30/04/75/1041300475.db2.gz ZFVMOCWNSWAHKL-HXUWFJFHSA-N 1 0 395.304 3.949 20 30 GHEDRO N#Cc1cc(-c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)ccc1F ZINC001235893641 1041417132 /nfs/dbraw/zinc/41/71/32/1041417132.db2.gz NHPZMVIPCBVLKB-KRWDZBQOSA-N 1 0 389.434 3.874 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CCC(N)(C(=O)OCC)CC2)cc1 ZINC001236070701 1041521543 /nfs/dbraw/zinc/52/15/43/1041521543.db2.gz QBRZLTBXEYMYJB-UHFFFAOYSA-N 1 0 376.541 3.892 20 30 GHEDRO C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001256189568 1041633040 /nfs/dbraw/zinc/63/30/40/1041633040.db2.gz GCHGAJKIVXDFRQ-MRXNPFEDSA-N 1 0 399.336 3.859 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+]([C@H](C)CCc2ccc(Br)cc2)CC1 ZINC001256228091 1041664025 /nfs/dbraw/zinc/66/40/25/1041664025.db2.gz DIVYNNLPWCTIFP-CQSZACIVSA-N 1 0 379.298 3.549 20 30 GHEDRO C=CCn1cc(CN(Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cn1 ZINC001236377020 1041688524 /nfs/dbraw/zinc/68/85/24/1041688524.db2.gz QGETTWJFQWARKP-UHFFFAOYSA-N 1 0 389.341 3.586 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)Cc3ccccn3)C[C@@H]2c2ccccc2)C1=O ZINC001256414271 1041723650 /nfs/dbraw/zinc/72/36/50/1041723650.db2.gz LCKVHGFCXIJNOM-KWOQKUFVSA-N 1 0 375.516 3.517 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C2 ZINC001256479081 1041753106 /nfs/dbraw/zinc/75/31/06/1041753106.db2.gz SZLOAAPVYYYXPM-LMVRJCEZSA-N 1 0 394.556 3.601 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236796763 1041900560 /nfs/dbraw/zinc/90/05/60/1041900560.db2.gz YTQNOIQJSIUHPG-WOJBJXKFSA-N 1 0 381.900 3.628 20 30 GHEDRO N#CCOc1ccc(CN2CC[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC001236805763 1041907091 /nfs/dbraw/zinc/90/70/91/1041907091.db2.gz YXICDQWPEAFZHL-IBGZPJMESA-N 1 0 375.394 3.754 20 30 GHEDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236858833 1041931813 /nfs/dbraw/zinc/93/18/13/1041931813.db2.gz WBMLRONNTVAFTL-SFHVURJKSA-N 1 0 379.298 3.876 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1Br ZINC001236863384 1041933042 /nfs/dbraw/zinc/93/30/42/1041933042.db2.gz JVDPKBBSMQREJP-KRWDZBQOSA-N 1 0 390.325 3.545 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3O)CC2)cc1 ZINC001237055553 1042013017 /nfs/dbraw/zinc/01/30/17/1042013017.db2.gz FSXSRAFTOLYHIT-UHFFFAOYSA-N 1 0 391.393 3.527 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccnc3c(OC)cccc13)C2 ZINC001237106502 1042040728 /nfs/dbraw/zinc/04/07/28/1042040728.db2.gz SOSYNLTYEZLOJJ-HSZRJFAPSA-N 1 0 379.504 3.777 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355049 1042165668 /nfs/dbraw/zinc/16/56/68/1042165668.db2.gz YYNVHDVKATYUAM-HXUWFJFHSA-N 1 0 382.426 3.960 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc(Cl)c(F)c3)C[C@@H]2c2ccccc2)C1=O ZINC001237400313 1042191307 /nfs/dbraw/zinc/19/13/07/1042191307.db2.gz LNVFIQSQADKUOR-GCJKJVERSA-N 1 0 399.897 3.878 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cn(C)c3ccc(C#N)cc13)[C@@H]2C ZINC001237466947 1042219499 /nfs/dbraw/zinc/21/94/99/1042219499.db2.gz NWIDCPWPRLKQEI-QGZVFWFLSA-N 1 0 390.535 3.663 20 30 GHEDRO Cn1cc(C[NH+]2CCC(n3c4ccccc4oc3=O)CC2)c2cc(C#N)ccc21 ZINC001237471151 1042222701 /nfs/dbraw/zinc/22/27/01/1042222701.db2.gz PKQWGLFNGMCTDX-UHFFFAOYSA-N 1 0 386.455 3.795 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c2cc(C#N)ccc21 ZINC001237471075 1042223097 /nfs/dbraw/zinc/22/30/97/1042223097.db2.gz ANYTVMMPOAZWBG-FFZOFVMBSA-N 1 0 394.519 3.785 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)Nc1ccc(N2CC[C@@H]([NH3+])C2)nc1 ZINC001237552556 1042261464 /nfs/dbraw/zinc/26/14/64/1042261464.db2.gz GWRMFWFYOPIWDT-QGZVFWFLSA-N 1 0 382.574 3.501 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc4c3OCC4)C[C@@H]2c2ccccc2)C1=O ZINC001237741715 1042348038 /nfs/dbraw/zinc/34/80/38/1042348038.db2.gz GUHOXZFQUPUCOB-RDGATRHJSA-N 1 0 388.511 3.626 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cc(Cl)cc(C#N)c3)CC[C@@H]21 ZINC001237750366 1042352729 /nfs/dbraw/zinc/35/27/29/1042352729.db2.gz ITFFDBBWCPEDDP-HJNYFJLDSA-N 1 0 397.954 3.782 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC001237751676 1042353388 /nfs/dbraw/zinc/35/33/88/1042353388.db2.gz YZESSSBUABFQCH-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)CC2 ZINC001237875783 1042404745 /nfs/dbraw/zinc/40/47/45/1042404745.db2.gz CZSKMMXWNOCNPT-UHFFFAOYSA-N 1 0 392.547 3.682 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c(Cl)c1 ZINC001238081515 1042484998 /nfs/dbraw/zinc/48/49/98/1042484998.db2.gz BSNJWAWZNXMZHK-IBGZPJMESA-N 1 0 379.891 3.707 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC[C@@H]2C1 ZINC001238082172 1042485424 /nfs/dbraw/zinc/48/54/24/1042485424.db2.gz FWDHIESLROWYPW-WBVHZDCISA-N 1 0 375.900 3.900 20 30 GHEDRO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccc(Cl)c(C#N)c2)C3)n1 ZINC001238190726 1042514315 /nfs/dbraw/zinc/51/43/15/1042514315.db2.gz KEFUQQYWEKHAFE-KNQAVFIVSA-N 1 0 397.906 3.580 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@]12CCC(=O)N2CCOC ZINC001238192212 1042515546 /nfs/dbraw/zinc/51/55/46/1042515546.db2.gz QAFHYFKZVVOEBH-FPOVZHCZSA-N 1 0 389.927 3.594 20 30 GHEDRO CCCCCCCCS(=O)(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001238205354 1042518328 /nfs/dbraw/zinc/51/83/28/1042518328.db2.gz YEGPDODSBYCEMU-IBGZPJMESA-N 1 0 394.581 3.912 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001238273559 1042538016 /nfs/dbraw/zinc/53/80/16/1042538016.db2.gz YANAKBXJBSBUDQ-IBGZPJMESA-N 1 0 388.618 3.738 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NC[C@@H]1CC[C@H]2[NH2+]CCO[C@H]21 ZINC001238328634 1042558295 /nfs/dbraw/zinc/55/82/95/1042558295.db2.gz SMHNXPJFLCHXTH-ZCNNSNEGSA-N 1 0 388.618 3.594 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238411052 1042587319 /nfs/dbraw/zinc/58/73/19/1042587319.db2.gz XVIQFUYIXWALCQ-QFIPXVFZSA-N 1 0 385.508 3.932 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)ccc1C#N ZINC001238760446 1042717772 /nfs/dbraw/zinc/71/77/72/1042717772.db2.gz KWORLJLZKYKABX-UHFFFAOYSA-N 1 0 389.499 3.519 20 30 GHEDRO CCc1cc(CN(Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)ccc1C#N ZINC001238775818 1042723495 /nfs/dbraw/zinc/72/34/95/1042723495.db2.gz PFPYGLCXCXGAMT-UHFFFAOYSA-N 1 0 390.535 3.890 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1(Cc2ccccc2OC)CC[NH2+]CC1 ZINC001238858714 1042742418 /nfs/dbraw/zinc/74/24/18/1042742418.db2.gz JJWLXFAYVOVIMP-UHFFFAOYSA-N 1 0 396.597 3.640 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)c1 ZINC001239185881 1042782616 /nfs/dbraw/zinc/78/26/16/1042782616.db2.gz ZVXHLXMIVCWSIQ-LJQANCHMSA-N 1 0 380.492 3.912 20 30 GHEDRO CCCCCCCCCCCCOC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001239318645 1042808173 /nfs/dbraw/zinc/80/81/73/1042808173.db2.gz RJCOKCQCOJSKON-UHFFFAOYSA-N 1 0 379.549 3.919 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001239385202 1042818842 /nfs/dbraw/zinc/81/88/42/1042818842.db2.gz RHPQNJXQQBJTDL-UHFFFAOYSA-N 1 0 382.508 3.596 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2cnc(N3CC[NH2+]CC3)c(C)c2)cc1 ZINC001239741537 1042848434 /nfs/dbraw/zinc/84/84/34/1042848434.db2.gz AJOHGPXMIOYFOP-GKKFRVOYSA-N 1 0 398.576 3.738 20 30 GHEDRO COc1cc(CCC#N)c(-c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OC ZINC001240401381 1042926551 /nfs/dbraw/zinc/92/65/51/1042926551.db2.gz ACQTXPKGPWNSMA-UHFFFAOYSA-N 1 0 379.504 3.574 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291090827 1043072663 /nfs/dbraw/zinc/07/26/63/1043072663.db2.gz CSGWVTHTUOCXBI-ZWKOTPCHSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001291097684 1043077097 /nfs/dbraw/zinc/07/70/97/1043077097.db2.gz ZOZYMTOVEBEVDJ-RBUKOAKNSA-N 1 0 397.571 3.677 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106205 1043081908 /nfs/dbraw/zinc/08/19/08/1043081908.db2.gz TUZBFYREYRETAC-SJORKVTESA-N 1 0 378.524 3.536 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(C2CCC2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001291771408 1043455041 /nfs/dbraw/zinc/45/50/41/1043455041.db2.gz DQTHEHPEIQAAOS-QGZVFWFLSA-N 1 0 380.540 3.784 20 30 GHEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cccc(C#N)c1Br ZINC001292113186 1043597898 /nfs/dbraw/zinc/59/78/98/1043597898.db2.gz YVNOUWRZJQXVGX-UHFFFAOYSA-N 1 0 392.341 3.905 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)Cc3ccncc3)C[C@@H]2c2ccccc2)C1=O ZINC001256737425 1043641473 /nfs/dbraw/zinc/64/14/73/1043641473.db2.gz CLNQBMQGTPSOPE-KWOQKUFVSA-N 1 0 375.516 3.517 20 30 GHEDRO CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001292380970 1043711157 /nfs/dbraw/zinc/71/11/57/1043711157.db2.gz OVVLZJAERHPMCF-QGZVFWFLSA-N 1 0 380.540 3.783 20 30 GHEDRO CS(=O)(=O)N([C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1)C1CCC(C#N)CC1 ZINC001256963413 1043775687 /nfs/dbraw/zinc/77/56/87/1043775687.db2.gz IBHUQVHVVIGBBX-UIIOKCELSA-N 1 0 397.544 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)C[C@@H]1C(F)(F)F ZINC001256971821 1043778266 /nfs/dbraw/zinc/77/82/66/1043778266.db2.gz MKBRRNHXIOQFKK-PFSRBDOWSA-N 1 0 375.435 3.846 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+][C@]34C[C@H]3CN(C(=O)c3ccco3)C4)CC2)cc1 ZINC001257009583 1043797170 /nfs/dbraw/zinc/79/71/70/1043797170.db2.gz MLBOEJMWCOPBMK-XKXWHVAQSA-N 1 0 375.472 3.682 20 30 GHEDRO CO[C@@H]1C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001257022151 1043807821 /nfs/dbraw/zinc/80/78/21/1043807821.db2.gz HILRLFGHJWLVPV-NSKBAKJYSA-N 1 0 399.535 3.808 20 30 GHEDRO C[C@@H]1CC([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)C[C@@H](C)O1 ZINC001257083342 1043836999 /nfs/dbraw/zinc/83/69/99/1043836999.db2.gz GZWRLMMUADJDJO-RTBURBONSA-N 1 0 388.511 3.869 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC001292810603 1043889052 /nfs/dbraw/zinc/88/90/52/1043889052.db2.gz RBJMHKWHPXYTJL-LJQANCHMSA-N 1 0 395.588 3.959 20 30 GHEDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C ZINC001257174858 1043918528 /nfs/dbraw/zinc/91/85/28/1043918528.db2.gz AZWKQSMKFSGDAI-ICSRJNTNSA-N 1 0 387.524 3.951 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257797742 1044181854 /nfs/dbraw/zinc/18/18/54/1044181854.db2.gz GJMQQCIAWGOXCU-CNNODRBYSA-N 1 0 377.573 3.796 20 30 GHEDRO CCCCCCC[C@H](C)N1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258047204 1044369820 /nfs/dbraw/zinc/36/98/20/1044369820.db2.gz IWVUVCJWPBWRGP-VQTJNVASSA-N 1 0 375.605 3.756 20 30 GHEDRO CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCC1 ZINC001293906280 1044371744 /nfs/dbraw/zinc/37/17/44/1044371744.db2.gz WAPZEGCARNHCLM-KRWDZBQOSA-N 1 0 380.540 3.926 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3ccc(C)cc3F)nc2C)CC1 ZINC001293932632 1044388472 /nfs/dbraw/zinc/38/84/72/1044388472.db2.gz LGRLUDMXLGDFJW-UHFFFAOYSA-N 1 0 385.508 3.784 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)CCCC(=O)OCC)C[C@@H]2c2ccccc2)C1=O ZINC001258120736 1044406745 /nfs/dbraw/zinc/40/67/45/1044406745.db2.gz GCPUSWPIASJJFO-ZYKOEDHHSA-N 1 0 398.547 3.612 20 30 GHEDRO CC1(C)CCC[C@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)C1 ZINC001258287392 1044493087 /nfs/dbraw/zinc/49/30/87/1044493087.db2.gz ZMSQKOYHPFUIAU-NZQKXSOJSA-N 1 0 382.552 3.841 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC1(C)C ZINC001258552385 1044631323 /nfs/dbraw/zinc/63/13/23/1044631323.db2.gz APAPAUPQLWZFFE-LJQANCHMSA-N 1 0 398.551 3.858 20 30 GHEDRO [NH2+]=C(N[C@H]1CCC(=O)N(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001258567234 1044645531 /nfs/dbraw/zinc/64/55/31/1044645531.db2.gz QWTXSYQADQAMCL-SFHVURJKSA-N 1 0 389.421 3.992 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001294543505 1044692765 /nfs/dbraw/zinc/69/27/65/1044692765.db2.gz XVDRAMGRFVEJPH-DTVZVWBHSA-N 1 0 386.499 3.926 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001258891747 1044848411 /nfs/dbraw/zinc/84/84/11/1044848411.db2.gz DCUWGCFJZDNFGJ-UUOWRZLLSA-N 1 0 389.499 3.627 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001258891744 1044848814 /nfs/dbraw/zinc/84/88/14/1044848814.db2.gz DCUWGCFJZDNFGJ-HOYKHHGWSA-N 1 0 389.499 3.627 20 30 GHEDRO C[NH+]1CCC(n2cc(Nc3ccc(C#N)c(Br)c3F)cn2)CC1 ZINC001307184554 1044927180 /nfs/dbraw/zinc/92/71/80/1044927180.db2.gz COGJJEUURSANEK-UHFFFAOYSA-N 1 0 378.249 3.667 20 30 GHEDRO Cc1nc(N2CCCCC2)sc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001261183528 1045914014 /nfs/dbraw/zinc/91/40/14/1045914014.db2.gz SLXWCXZGYWNLOO-UHFFFAOYSA-N 1 0 397.592 3.877 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+]C2(C(C)C)CC2)cc1 ZINC000567510801 1046061674 /nfs/dbraw/zinc/06/16/74/1046061674.db2.gz SXZASDHCOPYWDI-UHFFFAOYSA-N 1 0 380.492 3.691 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001261854170 1046119032 /nfs/dbraw/zinc/11/90/32/1046119032.db2.gz DHJCDKJOCBHYJS-KGLIPLIRSA-N 1 0 382.892 3.587 20 30 GHEDRO C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001262035213 1046163559 /nfs/dbraw/zinc/16/35/59/1046163559.db2.gz CDYXRYMLHCVMPO-VXSPLGDOSA-N 1 0 389.902 3.542 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCC1CC[NH+](CC)CC1 ZINC001300918723 1046240792 /nfs/dbraw/zinc/24/07/92/1046240792.db2.gz GOILGYLCWCRKGZ-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301044520 1046305048 /nfs/dbraw/zinc/30/50/48/1046305048.db2.gz JKLHZJBQJMICPI-HKUYNNGSSA-N 1 0 385.943 3.603 20 30 GHEDRO C=CCCCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001301232154 1046420041 /nfs/dbraw/zinc/42/00/41/1046420041.db2.gz VPVIPYINHRTGRE-UHFFFAOYSA-N 1 0 395.551 3.664 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001262930221 1046428513 /nfs/dbraw/zinc/42/85/13/1046428513.db2.gz IGQQXCMJGXRWAT-UHFFFAOYSA-N 1 0 389.613 3.920 20 30 GHEDRO C=CCn1c(COC2CCCCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001262978383 1046463400 /nfs/dbraw/zinc/46/34/00/1046463400.db2.gz FMKFEPKWXMXJQG-UHFFFAOYSA-N 1 0 375.561 3.624 20 30 GHEDRO CCn1c(CCCCC#N)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001263018237 1046506250 /nfs/dbraw/zinc/50/62/50/1046506250.db2.gz DRHNHHNUKXXQGZ-UHFFFAOYSA-N 1 0 394.567 3.883 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC=C(C)C1)C(C)C ZINC001301366371 1046511483 /nfs/dbraw/zinc/51/14/83/1046511483.db2.gz BHNKSIGLJOJGRO-NHCUHLMSSA-N 1 0 399.583 3.637 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC=CCC1)C(C)C ZINC001301371473 1046511910 /nfs/dbraw/zinc/51/19/10/1046511910.db2.gz PTXKENFKLAYAGX-VQTJNVASSA-N 1 0 385.556 3.595 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001301380848 1046516268 /nfs/dbraw/zinc/51/62/68/1046516268.db2.gz MRWPENHJFXNRFU-FQEVSTJZSA-N 1 0 382.556 3.962 20 30 GHEDRO C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC001301518627 1046575797 /nfs/dbraw/zinc/57/57/97/1046575797.db2.gz LYSDDJFHPZPSMP-MOPGFXCFSA-N 1 0 397.567 3.935 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001263278894 1046673107 /nfs/dbraw/zinc/67/31/07/1046673107.db2.gz SVFZMGOYPASYLS-FPOVZHCZSA-N 1 0 399.583 3.797 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001263306229 1046704388 /nfs/dbraw/zinc/70/43/88/1046704388.db2.gz SLNCTJBLTOUAQG-OALUTQOASA-N 1 0 387.572 3.590 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001301965319 1046764939 /nfs/dbraw/zinc/76/49/39/1046764939.db2.gz JRHSFUUEQYPPSU-GHTZIAJQSA-N 1 0 392.551 3.806 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CC1([NH+](C)C)CCCC1 ZINC001301972843 1046770154 /nfs/dbraw/zinc/77/01/54/1046770154.db2.gz ZEPLDOYLXFQQDC-IBGZPJMESA-N 1 0 394.567 3.534 20 30 GHEDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC001302477969 1046950355 /nfs/dbraw/zinc/95/03/55/1046950355.db2.gz SHYCLAQOUGXFHE-GOSISDBHSA-N 1 0 375.463 3.763 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(C(C)(C)C#N)n2CC2CC2)C1 ZINC001263742246 1047084423 /nfs/dbraw/zinc/08/44/23/1047084423.db2.gz MRAOQWVHWOIYOB-MJGOQNOKSA-N 1 0 384.572 3.580 20 30 GHEDRO CC(C)Cc1nnc(N(C)[C@@H](C)CC#N)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001302832423 1047130768 /nfs/dbraw/zinc/13/07/68/1047130768.db2.gz JORBAWOEFNLOCB-IBGZPJMESA-N 1 0 394.567 3.663 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302880559 1047162537 /nfs/dbraw/zinc/16/25/37/1047162537.db2.gz UDACCIQBZQPNBC-GOSISDBHSA-N 1 0 386.588 3.727 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001303177178 1047305868 /nfs/dbraw/zinc/30/58/68/1047305868.db2.gz GYFIINJKQVMBAE-MOPGFXCFSA-N 1 0 386.588 3.900 20 30 GHEDRO Cc1ccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H](C)CC#N)[NH+](C)C)cc1 ZINC001304276940 1047634230 /nfs/dbraw/zinc/63/42/30/1047634230.db2.gz WOZDFSGPHFWKAY-XLIONFOSSA-N 1 0 391.523 3.623 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304451405 1047680985 /nfs/dbraw/zinc/68/09/85/1047680985.db2.gz NZHABSGFPRIWCG-QUCCMNQESA-N 1 0 395.555 3.507 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CC[N@H+](C)C1CCCC1 ZINC001304546087 1047708713 /nfs/dbraw/zinc/70/87/13/1047708713.db2.gz CSQKWMOISPZCEX-SFHVURJKSA-N 1 0 394.567 3.648 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CC2)C1 ZINC001304924670 1047809666 /nfs/dbraw/zinc/80/96/66/1047809666.db2.gz KFCUKWVDKRXZDJ-QZTJIDSGSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H]1C[C@@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304954331 1047819838 /nfs/dbraw/zinc/81/98/38/1047819838.db2.gz XJEKKCBNJRWUDS-APWZRJJASA-N 1 0 378.524 3.708 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C13CC([NH2+]Cc4cncs4)(C1)C3)CCCC2 ZINC001279860943 1047972606 /nfs/dbraw/zinc/97/26/06/1047972606.db2.gz SFZPOQSHRCPISZ-UHFFFAOYSA-N 1 0 384.530 3.606 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001286285458 1048255273 /nfs/dbraw/zinc/25/52/73/1048255273.db2.gz NAEHYXHBXRSHLB-MSOLQXFVSA-N 1 0 390.535 3.616 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001286296489 1048260734 /nfs/dbraw/zinc/26/07/34/1048260734.db2.gz PLKMNAJSSBFFFL-SFHVURJKSA-N 1 0 381.568 3.825 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCC[N@@H+](C)C(C)C ZINC001286301642 1048263759 /nfs/dbraw/zinc/26/37/59/1048263759.db2.gz NEAFMSQDNVCWIV-FQEVSTJZSA-N 1 0 397.567 3.662 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286366204 1048291359 /nfs/dbraw/zinc/29/13/59/1048291359.db2.gz XSDYTNNYUAUXJK-QZTJIDSGSA-N 1 0 391.519 3.881 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286368750 1048292582 /nfs/dbraw/zinc/29/25/82/1048292582.db2.gz YXSUKSKMLALNGW-OAHLLOKOSA-N 1 0 389.906 3.539 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001286428057 1048316900 /nfs/dbraw/zinc/31/69/00/1048316900.db2.gz PBHSGXJWZOKAEA-OAQYLSRUSA-N 1 0 397.611 3.984 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001286588858 1048378826 /nfs/dbraw/zinc/37/88/26/1048378826.db2.gz MZEYTFJHKGPPOR-GOSISDBHSA-N 1 0 383.540 3.698 20 30 GHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001286594008 1048380423 /nfs/dbraw/zinc/38/04/23/1048380423.db2.gz YMNKWTOLJMFNDB-UHFFFAOYSA-N 1 0 379.552 3.877 20 30 GHEDRO C=C(Cn1c(N2CC[N@@H+]3CCCC[C@H]3C2)nnc1C(C)(C)C)c1ccccc1 ZINC001286619988 1048391396 /nfs/dbraw/zinc/39/13/96/1048391396.db2.gz YKGYOAWNDAYNDL-FQEVSTJZSA-N 1 0 379.552 3.964 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001286643612 1048408203 /nfs/dbraw/zinc/40/82/03/1048408203.db2.gz PEAHCLDSJWZTBR-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001286645931 1048412350 /nfs/dbraw/zinc/41/23/50/1048412350.db2.gz JMFWOGVRCNSGQF-PMACEKPBSA-N 1 0 387.572 3.941 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001286648723 1048416380 /nfs/dbraw/zinc/41/63/80/1048416380.db2.gz UULNUDWRXXNWRN-UHFFFAOYSA-N 1 0 397.542 3.896 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001286670593 1048435480 /nfs/dbraw/zinc/43/54/80/1048435480.db2.gz LFBMZRREFNVAKK-IBGZPJMESA-N 1 0 394.567 3.925 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)CC)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286715576 1048472406 /nfs/dbraw/zinc/47/24/06/1048472406.db2.gz LLEYLJCJBFQUGH-WOJBJXKFSA-N 1 0 396.583 3.625 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2C)n1CCC1CC[NH+](CC)CC1 ZINC001286723919 1048480972 /nfs/dbraw/zinc/48/09/72/1048480972.db2.gz BQZVGZWSZIEAOD-UHFFFAOYSA-N 1 0 381.568 3.922 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001286730058 1048487229 /nfs/dbraw/zinc/48/72/29/1048487229.db2.gz ABTAVALXLKWMHW-SFHVURJKSA-N 1 0 383.540 3.579 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@@H]1CCCC[N@H+]1CC ZINC001286738709 1048497026 /nfs/dbraw/zinc/49/70/26/1048497026.db2.gz AJTFODRQHRYXFV-FQEVSTJZSA-N 1 0 383.540 3.662 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001286740740 1048499267 /nfs/dbraw/zinc/49/92/67/1048499267.db2.gz VQUSDFQAAYXXNP-IBGZPJMESA-N 1 0 397.567 3.774 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1CC[NH+]1CCCC1 ZINC001286740690 1048499541 /nfs/dbraw/zinc/49/95/41/1048499541.db2.gz UNVWSFJEMPMDPE-UHFFFAOYSA-N 1 0 395.551 3.843 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C ZINC001286751668 1048505440 /nfs/dbraw/zinc/50/54/40/1048505440.db2.gz SDPGBIVOTAOFPM-ZHALLVOQSA-N 1 0 377.602 3.615 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001286803521 1048531388 /nfs/dbraw/zinc/53/13/88/1048531388.db2.gz GEISIMHQDZIOCA-NHCUHLMSSA-N 1 0 395.551 3.601 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[NH+](CC)CC ZINC001306344922 1048583506 /nfs/dbraw/zinc/58/35/06/1048583506.db2.gz KZLSDUCFQPBDGP-PXNSSMCTSA-N 1 0 380.540 3.926 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CC)C1)[NH+]1CCCC1 ZINC001306364401 1048601406 /nfs/dbraw/zinc/60/14/06/1048601406.db2.gz PERWMDJWKMUPDJ-GHTZIAJQSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C#N)[NH+](C)C ZINC001287328582 1048716133 /nfs/dbraw/zinc/71/61/33/1048716133.db2.gz HYMSMKRSOLCAND-IRXDYDNUSA-N 1 0 386.519 3.656 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001287391252 1048753025 /nfs/dbraw/zinc/75/30/25/1048753025.db2.gz LGAXSIUXJZZPDK-UHFFFAOYSA-N 1 0 390.531 3.656 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001287400962 1048757716 /nfs/dbraw/zinc/75/77/16/1048757716.db2.gz XRCZHMAVGPNBED-HXUWFJFHSA-N 1 0 394.567 3.910 20 30 GHEDRO CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCC[N@@H+]1CCC ZINC001306771426 1048878203 /nfs/dbraw/zinc/87/82/03/1048878203.db2.gz PENRDOSOHDHKHK-HXUWFJFHSA-N 1 0 380.540 3.927 20 30 GHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC(F)C1 ZINC001306807767 1048907314 /nfs/dbraw/zinc/90/73/14/1048907314.db2.gz ZZWHRZHZVRKDML-UHFFFAOYSA-N 1 0 398.530 3.733 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC001306824821 1048916464 /nfs/dbraw/zinc/91/64/64/1048916464.db2.gz RDPIHNANHGSBBH-UHFFFAOYSA-N 1 0 377.488 3.556 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNc1nn2c(nnc2C(F)(F)F)c(C)c1C)C(C)C ZINC001306926327 1048962841 /nfs/dbraw/zinc/96/28/41/1048962841.db2.gz YELHAAPMBIFHPZ-OAHLLOKOSA-N 1 0 396.461 3.870 20 30 GHEDRO N#Cc1cc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c([N+](=O)[O-])s1 ZINC001306942595 1048971282 /nfs/dbraw/zinc/97/12/82/1048971282.db2.gz RPFBWBXFZGXOOF-UHFFFAOYSA-N 1 0 383.477 3.804 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001288520739 1049124480 /nfs/dbraw/zinc/12/44/80/1049124480.db2.gz VUDZIQUIICFQRH-SFHVURJKSA-N 1 0 392.551 3.732 20 30 GHEDRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1)[N@H+](C)C1CC1 ZINC001288664630 1049188012 /nfs/dbraw/zinc/18/80/12/1049188012.db2.gz OKNWWZQEZOHRPY-INIZCTEOSA-N 1 0 398.580 3.543 20 30 GHEDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(C)CC2)CC1 ZINC001289050628 1049302610 /nfs/dbraw/zinc/30/26/10/1049302610.db2.gz ZATMYWGDTDAQFR-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO Cc1ccc(N2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@H](C)C2)cc1C ZINC001307511146 1049352797 /nfs/dbraw/zinc/35/27/97/1049352797.db2.gz LBTZYVCLOUTYDU-LJQANCHMSA-N 1 0 376.504 3.714 20 30 GHEDRO CC[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[C@@H]1c1ccccc1 ZINC001307520509 1049364022 /nfs/dbraw/zinc/36/40/22/1049364022.db2.gz NOYPSKSTQOCKPW-CTNGQTDRSA-N 1 0 386.495 3.802 20 30 GHEDRO C[C@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCOC1(C)C ZINC001307530646 1049376526 /nfs/dbraw/zinc/37/65/26/1049376526.db2.gz PIWFTQYFKHKOBQ-UONOGXRCSA-N 1 0 375.538 3.572 20 30 GHEDRO CCOC(=O)c1sc2ccccc2c1CN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001307600089 1049439140 /nfs/dbraw/zinc/43/91/40/1049439140.db2.gz XVRHKRFTNVXCQE-SJORKVTESA-N 1 0 397.544 3.888 20 30 GHEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC001307614907 1049451358 /nfs/dbraw/zinc/45/13/58/1049451358.db2.gz CREYNYFMSRTUPR-UWJYYQICSA-N 1 0 386.467 3.520 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCCOc1cccc(C#N)c1)C(C)(C)C ZINC001307718894 1049533205 /nfs/dbraw/zinc/53/32/05/1049533205.db2.gz DUDPDWKPLWJKJI-SFHVURJKSA-N 1 0 375.513 3.856 20 30 GHEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC001307961596 1049724016 /nfs/dbraw/zinc/72/40/16/1049724016.db2.gz LHTKKZQADGEUJP-QGZVFWFLSA-N 1 0 380.467 3.941 20 30 GHEDRO N#Cc1ccccc1NC1CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1 ZINC001307966615 1049727511 /nfs/dbraw/zinc/72/75/11/1049727511.db2.gz JYYHNHNTWMWIEE-UHFFFAOYSA-N 1 0 385.414 3.999 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCC[NH+]1CCCC1 ZINC001290116758 1049737019 /nfs/dbraw/zinc/73/70/19/1049737019.db2.gz GBJBESUOZKRVGC-UHFFFAOYSA-N 1 0 392.551 3.870 20 30 GHEDRO C[C@]12CN(Cc3c(C#N)cccc3[N+](=O)[O-])C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001308008620 1049757113 /nfs/dbraw/zinc/75/71/13/1049757113.db2.gz MGCRLUWAEDCIBC-GOTSBHOMSA-N 1 0 390.487 3.810 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C#N)CCc3ccccc3)cc2)CC1 ZINC001290221315 1049765226 /nfs/dbraw/zinc/76/52/26/1049765226.db2.gz KTEAMIBLRAXYTE-FQEVSTJZSA-N 1 0 376.504 3.540 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](Cc3cccnc3)C3CCCC3)C2=O)cc1 ZINC001308023773 1049774991 /nfs/dbraw/zinc/77/49/91/1049774991.db2.gz APICJLMGMYXUHW-DHIUTWEWSA-N 1 0 388.515 3.840 20 30 GHEDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001308097484 1049844627 /nfs/dbraw/zinc/84/46/27/1049844627.db2.gz CZOXFUZHXVOLTK-XMSQKQJNSA-N 1 0 399.498 3.951 20 30 GHEDRO C#CC[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 ZINC001308104291 1049849549 /nfs/dbraw/zinc/84/95/49/1049849549.db2.gz PYCPZWHXQSSQSN-JOCHJYFZSA-N 1 0 397.563 3.552 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3CCCN3CC(F)F)c2)c1 ZINC001308465937 1049982763 /nfs/dbraw/zinc/98/27/63/1049982763.db2.gz UGOXVENZYQJGKB-FQEVSTJZSA-N 1 0 385.458 3.956 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)n2)C1 ZINC001308808750 1050103377 /nfs/dbraw/zinc/10/33/77/1050103377.db2.gz BONUSIXRRZSYQV-FXAWDEMLSA-N 1 0 384.524 3.955 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001308823410 1050107994 /nfs/dbraw/zinc/10/79/94/1050107994.db2.gz CSDKBNXLDMZQBB-FGTMMUONSA-N 1 0 391.537 3.514 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC001329141940 1050731581 /nfs/dbraw/zinc/73/15/81/1050731581.db2.gz STRHTESCMXCDDH-UHFFFAOYSA-N 1 0 376.504 3.535 20 30 GHEDRO Cc1cc(-c2nnc([C@@H](C)C[NH+]3CCC(C)CC3)o2)nn1-c1cccc(C#N)c1 ZINC001329264056 1050762821 /nfs/dbraw/zinc/76/28/21/1050762821.db2.gz UHPKCNDGSVVNEN-INIZCTEOSA-N 1 0 390.491 3.938 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001330765919 1051098453 /nfs/dbraw/zinc/09/84/53/1051098453.db2.gz HIEQAJNZUUGVHJ-QGZVFWFLSA-N 1 0 382.430 3.677 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC001310046109 1051120319 /nfs/dbraw/zinc/12/03/19/1051120319.db2.gz NJNBKCZWXNIJMC-FQEVSTJZSA-N 1 0 378.520 3.747 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001310186537 1051211650 /nfs/dbraw/zinc/21/16/50/1051211650.db2.gz IUVJZECJXJBPNM-UHFFFAOYSA-N 1 0 392.503 3.742 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001332343416 1051503712 /nfs/dbraw/zinc/50/37/12/1051503712.db2.gz JHDBWVICJQZGOD-CVEARBPZSA-N 1 0 376.501 3.801 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1OC(F)(F)F ZINC001310641564 1051505443 /nfs/dbraw/zinc/50/54/43/1051505443.db2.gz NPRSTDVLDAYXCH-UHFFFAOYSA-N 1 0 396.413 3.939 20 30 GHEDRO CC[N@H+](C)[C@@H]1CCN(C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)C1 ZINC001310963878 1051738102 /nfs/dbraw/zinc/73/81/02/1051738102.db2.gz UUVWWVCBJCXLTI-QGZVFWFLSA-N 1 0 379.464 3.612 20 30 GHEDRO CC[N@H+](C)[C@H]1CCN(C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)C1 ZINC001310963876 1051738454 /nfs/dbraw/zinc/73/84/54/1051738454.db2.gz UUVWWVCBJCXLTI-KRWDZBQOSA-N 1 0 379.464 3.612 20 30 GHEDRO CCN(C(=O)Nc1cc(C)c(C#N)cn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001311070482 1051823358 /nfs/dbraw/zinc/82/33/58/1051823358.db2.gz PRFGSLRXPBRCPQ-FXAWDEMLSA-N 1 0 377.492 3.951 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCC2(CCCCC2)O1)C(C)C ZINC001311388444 1052080336 /nfs/dbraw/zinc/08/03/36/1052080336.db2.gz OIBQIZRJUCYFSU-VQTJNVASSA-N 1 0 377.573 3.866 20 30 GHEDRO CN(C)C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC001335461532 1052108230 /nfs/dbraw/zinc/10/82/30/1052108230.db2.gz WQTYRPSEGLEKLY-OALUTQOASA-N 1 0 377.410 3.503 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC001335527330 1052124208 /nfs/dbraw/zinc/12/42/08/1052124208.db2.gz LVSSCAPRMPEOGJ-JOCHJYFZSA-N 1 0 398.551 3.976 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001311498069 1052203188 /nfs/dbraw/zinc/20/31/88/1052203188.db2.gz UABKNPJXCDELRK-IBGZPJMESA-N 1 0 375.516 3.899 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)C[C@@H]2C1 ZINC001336170978 1052235813 /nfs/dbraw/zinc/23/58/13/1052235813.db2.gz MLZKTMMGLVCBIH-YSIASYRMSA-N 1 0 393.487 3.533 20 30 GHEDRO C#CC[N@H+](Cc1ccc(C#N)s1)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC001336833969 1052346109 /nfs/dbraw/zinc/34/61/09/1052346109.db2.gz ZGUIBVTXSLBPLS-UHFFFAOYSA-N 1 0 380.542 3.653 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3ccc(F)c(F)c3)C2(C)C)CC1 ZINC001311894293 1052462552 /nfs/dbraw/zinc/46/25/52/1052462552.db2.gz XOWYQSOJUTZEDA-KRWDZBQOSA-N 1 0 377.479 3.893 20 30 GHEDRO CCN(C(=O)NCc1ccc(C)c(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001313268790 1053001988 /nfs/dbraw/zinc/00/19/88/1053001988.db2.gz YKVOMIKKJIYPFY-QFIPXVFZSA-N 1 0 376.504 3.673 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001342299672 1053085641 /nfs/dbraw/zinc/08/56/41/1053085641.db2.gz QSRGKWGBEDSAGZ-SESVDKBCSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N1CCC(SC)CC1 ZINC001342324904 1053109133 /nfs/dbraw/zinc/10/91/33/1053109133.db2.gz SEYNICJKPWYXQP-VQTJNVASSA-N 1 0 397.592 3.609 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CN3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343445 1053118497 /nfs/dbraw/zinc/11/84/97/1053118497.db2.gz KPGPYTCXFQNBDT-LMNJBCLMSA-N 1 0 393.535 3.861 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C#N)n2CCc2ccccc2)CC1 ZINC001342400933 1053148728 /nfs/dbraw/zinc/14/87/28/1053148728.db2.gz SWEOOOCKMOCLHU-UHFFFAOYSA-N 1 0 394.567 3.580 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CC2)C1 ZINC001313703428 1053182476 /nfs/dbraw/zinc/18/24/76/1053182476.db2.gz WQPGYMDPOALBEI-LJQANCHMSA-N 1 0 392.551 3.785 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001342706643 1053311078 /nfs/dbraw/zinc/31/10/78/1053311078.db2.gz HISUTHNFRDZDQE-BURNTYAHSA-N 1 0 377.536 3.513 20 30 GHEDRO CCn1c(N2CCC(C[N@H+](C)C(C)C)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001342920474 1053435124 /nfs/dbraw/zinc/43/51/24/1053435124.db2.gz FUOZDAIJTFLKNZ-JOCHJYFZSA-N 1 0 384.572 3.580 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 ZINC001314647788 1053548251 /nfs/dbraw/zinc/54/82/51/1053548251.db2.gz FKMPZHOWNLNTLE-SIKLNZKXSA-N 1 0 396.514 3.554 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001314651672 1053551653 /nfs/dbraw/zinc/55/16/53/1053551653.db2.gz WUIHJCXNJLOXNR-FQEVSTJZSA-N 1 0 378.524 3.588 20 30 GHEDRO CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCC1 ZINC001314839015 1053643399 /nfs/dbraw/zinc/64/33/99/1053643399.db2.gz SGVDLKSNYWIQGP-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001343494907 1053810728 /nfs/dbraw/zinc/81/07/28/1053810728.db2.gz KESIEJABBONFCL-IAGOWNOFSA-N 1 0 381.515 3.925 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 ZINC001343763923 1054007102 /nfs/dbraw/zinc/00/71/02/1054007102.db2.gz VJDIQMNFRVYJSN-GOSISDBHSA-N 1 0 383.517 3.770 20 30 GHEDRO N#CCCCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1Cc1ccccc1 ZINC001343944156 1054135017 /nfs/dbraw/zinc/13/50/17/1054135017.db2.gz DAHHPBRKMDHZIH-UHFFFAOYSA-N 1 0 392.551 3.627 20 30 GHEDRO N#CCC1CCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCCCC2)CC1 ZINC001316537841 1054219195 /nfs/dbraw/zinc/21/91/95/1054219195.db2.gz HCFQRSHQOCGFNG-UHFFFAOYSA-N 1 0 396.514 3.700 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1 ZINC001318120660 1054427400 /nfs/dbraw/zinc/42/74/00/1054427400.db2.gz ODABKZQVROCXQU-HSJQUHBMSA-N 1 0 379.504 3.962 20 30 GHEDRO C=CC(C)(C)Cc1nnc(N2CCC(CC)([NH+](C)C)CC2)n1C[C@@H]1CCCO1 ZINC001344569716 1054570845 /nfs/dbraw/zinc/57/08/45/1054570845.db2.gz HFSFMSGNZZLOEP-SFHVURJKSA-N 1 0 389.588 3.522 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC001318340012 1054574433 /nfs/dbraw/zinc/57/44/33/1054574433.db2.gz FXOWSESZWLKAPE-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC001319906935 1055535692 /nfs/dbraw/zinc/53/56/92/1055535692.db2.gz QILNKIQFSAFWBP-OAQYLSRUSA-N 1 0 386.503 3.739 20 30 GHEDRO CCCc1c(NC(=O)NC[C@H]2CCC[N@H+](CC)C2)cnn1-c1cccc(C#N)c1 ZINC001320895445 1056003599 /nfs/dbraw/zinc/00/35/99/1056003599.db2.gz QBBAMKROWTZCBA-GOSISDBHSA-N 1 0 394.523 3.550 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C)o2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300444200 1056108659 /nfs/dbraw/zinc/10/86/59/1056108659.db2.gz UTVIYXFVJRISJQ-ROUUACIJSA-N 1 0 383.540 3.674 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300526983 1056372109 /nfs/dbraw/zinc/37/21/09/1056372109.db2.gz SBLMBKXERGWBLN-SFHVURJKSA-N 1 0 397.954 3.648 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001200591080 1056421635 /nfs/dbraw/zinc/42/16/35/1056421635.db2.gz SIVZOGMTFQWDNT-OAHLLOKOSA-N 1 0 378.900 3.841 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1CCCC1 ZINC001300608904 1056632751 /nfs/dbraw/zinc/63/27/51/1056632751.db2.gz HCVFZRDCCZMCLO-UHFFFAOYSA-N 1 0 389.906 3.683 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001322487840 1056726519 /nfs/dbraw/zinc/72/65/19/1056726519.db2.gz ALAAYGFNABRIMD-FQEVSTJZSA-N 1 0 375.472 3.969 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CC[NH+](C(C)C)C(C)C ZINC001300648612 1056767701 /nfs/dbraw/zinc/76/77/01/1056767701.db2.gz GIUOXHVXLVOBKP-UHFFFAOYSA-N 1 0 385.531 3.738 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492496272 1057043226 /nfs/dbraw/zinc/04/32/26/1057043226.db2.gz QSQFFGIQTYDDDF-RBUKOAKNSA-N 1 0 395.555 3.507 20 30 GHEDRO C=C[C@H](COC)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC001324021169 1057056345 /nfs/dbraw/zinc/05/63/45/1057056345.db2.gz GUDGSIBTYZGNRB-SNVBAGLBSA-N 1 0 379.092 3.511 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001355191705 1057075374 /nfs/dbraw/zinc/07/53/74/1057075374.db2.gz AWDSYLRTENOSSQ-UHFFFAOYSA-N 1 0 376.485 3.875 20 30 GHEDRO C[NH+]1CCN(CCOc2ccc(NCc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000848540499 1057161466 /nfs/dbraw/zinc/16/14/66/1057161466.db2.gz HVQWNCOTVATHPN-UHFFFAOYSA-N 1 0 392.547 3.726 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1 ZINC001324743844 1057216980 /nfs/dbraw/zinc/21/69/80/1057216980.db2.gz MBGYYXNJEDYYAA-FQEVSTJZSA-N 1 0 389.499 3.628 20 30 GHEDRO N#Cc1ccc(OCc2ccc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)o2)cc1 ZINC001325468603 1057331267 /nfs/dbraw/zinc/33/12/67/1057331267.db2.gz HFPHIUZDOOMOMA-SFHVURJKSA-N 1 0 376.416 3.589 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001356052877 1057370690 /nfs/dbraw/zinc/37/06/90/1057370690.db2.gz CLLBXDFMGAUDNI-CWJKEVGVSA-N 1 0 390.535 3.580 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001356176184 1057418873 /nfs/dbraw/zinc/41/88/73/1057418873.db2.gz OJDQSMHNCCVICL-KRWDZBQOSA-N 1 0 383.540 3.541 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)ccc1N1CC[NH+](C)CC1 ZINC001326219657 1057436434 /nfs/dbraw/zinc/43/64/34/1057436434.db2.gz RRPFJPFEJJBXDE-GOSISDBHSA-N 1 0 391.519 3.843 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C(C)C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001356524980 1057538021 /nfs/dbraw/zinc/53/80/21/1057538021.db2.gz NRYFDLWAKMPHFW-LJQANCHMSA-N 1 0 389.588 3.779 20 30 GHEDRO c1ccc(NC(=[NH+]Cc2ccccc2CN2CCOCC2)N2CCCCC2)cc1 ZINC000849053247 1057562386 /nfs/dbraw/zinc/56/23/86/1057562386.db2.gz QCBOCSZVWLSELC-UHFFFAOYSA-N 1 0 392.547 3.973 20 30 GHEDRO CCCCCCCCNC(=[NH2+])NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000849064515 1057575582 /nfs/dbraw/zinc/57/55/82/1057575582.db2.gz IAAMOGCBQUHQOX-UHFFFAOYSA-N 1 0 389.540 3.938 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H](O)COc2ccccc2)cc1 ZINC000849069921 1057579781 /nfs/dbraw/zinc/57/97/81/1057579781.db2.gz VIWFENJITVMIQA-QFIPXVFZSA-N 1 0 389.499 3.993 20 30 GHEDRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c(F)c1 ZINC001357242138 1057647194 /nfs/dbraw/zinc/64/71/94/1057647194.db2.gz NREWIDVJMWWNAA-FQEVSTJZSA-N 1 0 399.466 3.545 20 30 GHEDRO C=CCn1c([C@H](O)CCCCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001338653822 1058710507 /nfs/dbraw/zinc/71/05/07/1058710507.db2.gz MUHXITAAPKIDMA-LJQANCHMSA-N 1 0 375.561 3.533 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N(C)[C@@H]3CCC[C@@H]3C#N)n2C)C1 ZINC001338659282 1058715479 /nfs/dbraw/zinc/71/54/79/1058715479.db2.gz SBDAWFIHDCNIEM-WGQQHEPDSA-N 1 0 396.514 3.575 20 30 GHEDRO C=CCn1c([C@H]2CN(C(C)C)CCO2)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001338693162 1058735165 /nfs/dbraw/zinc/73/51/65/1058735165.db2.gz KPXSZAGMQGYJHY-DZFGPLHGSA-N 1 0 393.535 3.685 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC(c2ccc(OC)cc2)CC1 ZINC001338694030 1058735245 /nfs/dbraw/zinc/73/52/45/1058735245.db2.gz UFDYFXFUSRFRQY-FQEVSTJZSA-N 1 0 395.551 3.666 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001338868727 1058843500 /nfs/dbraw/zinc/84/35/00/1058843500.db2.gz YSEYSFYDAOMJSY-SESVDKBCSA-N 1 0 390.535 3.582 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C#N)CCCOC1)c1ccc(C(F)(F)F)cc1 ZINC001442302060 1058945706 /nfs/dbraw/zinc/94/57/06/1058945706.db2.gz AAWJDSBWSBRQFW-HKUYNNGSSA-N 1 0 397.441 3.525 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)CCC(C)(C)C ZINC001339131107 1058973923 /nfs/dbraw/zinc/97/39/23/1058973923.db2.gz PVTGRWGHCVQSAH-SFHVURJKSA-N 1 0 375.561 3.652 20 30 GHEDRO CCN(c1nnc([C@@H]2C[C@@H]2C#N)n1CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001339625263 1059354743 /nfs/dbraw/zinc/35/47/43/1059354743.db2.gz WFJCJYNHXDCNCI-OJAHFUOMSA-N 1 0 378.524 3.587 20 30 GHEDRO CCN(c1nnc(C(C)(C)CC#N)n1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001339752043 1059440658 /nfs/dbraw/zinc/44/06/58/1059440658.db2.gz INWNNPAMQSLQQM-MJGOQNOKSA-N 1 0 380.540 3.668 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001339811997 1059493524 /nfs/dbraw/zinc/49/35/24/1059493524.db2.gz ZUKJXKJWIJSWBP-HXUWFJFHSA-N 1 0 392.551 3.801 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@]3(C#N)CC34CCCC4)n2C)C1 ZINC001339933152 1059566571 /nfs/dbraw/zinc/56/65/71/1059566571.db2.gz FXHYYLOSUKQJMB-DNVFCKCGSA-N 1 0 396.583 3.631 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001340124727 1059711425 /nfs/dbraw/zinc/71/14/25/1059711425.db2.gz WLGYJSKKAWWRCN-RTWAWAEBSA-N 1 0 392.551 3.806 20 30 GHEDRO C=CCn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001340379344 1059900918 /nfs/dbraw/zinc/90/09/18/1059900918.db2.gz AAJDRVIHGCRYKP-QHCPKHFHSA-N 1 0 394.567 3.644 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001340412019 1059917726 /nfs/dbraw/zinc/91/77/26/1059917726.db2.gz SZMRNVUFBGNWBR-QZTJIDSGSA-N 1 0 392.503 3.867 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[NH+](C(C)(C)C)CC2)c1=S ZINC001340508904 1059956685 /nfs/dbraw/zinc/95/66/85/1059956685.db2.gz KPURBOQJPOGVQO-UHFFFAOYSA-N 1 0 385.581 3.949 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CCCCC#N)n2Cc2ccccc2)[C@H](C)C1 ZINC001340626370 1060001372 /nfs/dbraw/zinc/00/13/72/1060001372.db2.gz HFFORJSSFNLMRZ-CTNGQTDRSA-N 1 0 394.567 3.729 20 30 GHEDRO CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001341034481 1060345406 /nfs/dbraw/zinc/34/54/06/1060345406.db2.gz AZCNZFOMRFFTOL-KRWDZBQOSA-N 1 0 386.503 3.883 20 30 GHEDRO CCN(c1nnc(CCCC#N)n1CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001341186598 1060478542 /nfs/dbraw/zinc/47/85/42/1060478542.db2.gz LRJNYXMWNFAGJC-AZUAARDMSA-N 1 0 380.540 3.806 20 30 GHEDRO COc1cc(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)ccc1C#N ZINC001450791313 1060692217 /nfs/dbraw/zinc/69/22/17/1060692217.db2.gz DVPZZIPRGKMQHP-OAQYLSRUSA-N 1 0 379.504 3.798 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(C)(C)CC1 ZINC001341668960 1060799248 /nfs/dbraw/zinc/79/92/48/1060799248.db2.gz KYJIWPPMHBKVGO-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1C ZINC001341756232 1060862688 /nfs/dbraw/zinc/86/26/88/1060862688.db2.gz UGFBANHLWQCJLQ-LJQANCHMSA-N 1 0 392.551 3.715 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(NC(=O)C4CC4)cc3)CC2)cc1 ZINC001341796083 1060900406 /nfs/dbraw/zinc/90/04/06/1060900406.db2.gz RHYSKUAOIWYANW-UHFFFAOYSA-N 1 0 388.515 3.661 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001341823677 1060910448 /nfs/dbraw/zinc/91/04/48/1060910448.db2.gz IKCYHGZGXSFMBI-VXKWHMMOSA-N 1 0 389.503 3.532 20 30 GHEDRO COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001341833647 1060915571 /nfs/dbraw/zinc/91/55/71/1060915571.db2.gz XUZIZJHDSCYSCU-LJQANCHMSA-N 1 0 391.471 3.642 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nnc1C1(C#N)CCCCC1 ZINC001341893414 1060941797 /nfs/dbraw/zinc/94/17/97/1060941797.db2.gz LYIGFJHDVGCCAO-UFYCRDLUSA-N 1 0 396.583 3.746 20 30 GHEDRO C=C(C)Cn1c(-c2cocn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001342105145 1061058918 /nfs/dbraw/zinc/05/89/18/1061058918.db2.gz ZCQVXDQZWIJHHC-SFHVURJKSA-N 1 0 384.528 3.602 20 30 GHEDRO C=CCn1c(Cc2cccc(O)c2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342147958 1061085885 /nfs/dbraw/zinc/08/58/85/1061085885.db2.gz XXOVOZVRLMMAOI-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001342171743 1061103150 /nfs/dbraw/zinc/10/31/50/1061103150.db2.gz GOVZETPMKZGVNO-NJDAHSKKSA-N 1 0 390.535 3.582 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001342190525 1061119077 /nfs/dbraw/zinc/11/90/77/1061119077.db2.gz XTOOQJFKPAHEPQ-JOCHJYFZSA-N 1 0 382.556 3.546 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342218155 1061144291 /nfs/dbraw/zinc/14/42/91/1061144291.db2.gz SXIRZHSKMVMVIH-JENIJYKNSA-N 1 0 389.613 3.601 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC001342252882 1061177996 /nfs/dbraw/zinc/17/79/96/1061177996.db2.gz JSFRNHNJCPEGKX-UYAOXDASSA-N 1 0 381.524 3.623 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001346228841 1061466196 /nfs/dbraw/zinc/46/61/96/1061466196.db2.gz NBPAMGSHSRELNI-QRVBRYPASA-N 1 0 387.572 3.590 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001346691141 1061795199 /nfs/dbraw/zinc/79/51/99/1061795199.db2.gz DXOGBJZFEYMXMS-GBESFXJTSA-N 1 0 389.613 3.631 20 30 GHEDRO CCc1ccc(C#CC(=O)N(Cc2ccc(O)cc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC001545879794 1062057794 /nfs/dbraw/zinc/05/77/94/1062057794.db2.gz GQAIUEWVBMTVQR-HSZRJFAPSA-N 1 0 390.527 3.819 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001455941205 1062362798 /nfs/dbraw/zinc/36/27/98/1062362798.db2.gz GATRKXQFNXXMJJ-UHFFFAOYSA-N 1 0 395.484 3.573 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC001455950449 1062368818 /nfs/dbraw/zinc/36/88/18/1062368818.db2.gz YXXXSUXNGLEBPV-ROUUACIJSA-N 1 0 381.545 3.784 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001347480890 1062416928 /nfs/dbraw/zinc/41/69/28/1062416928.db2.gz GTZJCLDYQFVTPS-VQTJNVASSA-N 1 0 384.572 3.654 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001435421202 1062592299 /nfs/dbraw/zinc/59/22/99/1062592299.db2.gz CDALUQYMLVEKSM-XXBNENTESA-N 1 0 393.531 3.988 20 30 GHEDRO CC[N@@H+]1CCCN(c2nnc(C(C#N)(CC)CC)n2Cc2cccs2)CC1 ZINC001348379421 1063036330 /nfs/dbraw/zinc/03/63/30/1063036330.db2.gz ANUHYSMJQSQZHO-UHFFFAOYSA-N 1 0 386.569 3.501 20 30 GHEDRO C=CCc1cc(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC001457583833 1063263956 /nfs/dbraw/zinc/26/39/56/1063263956.db2.gz QZZUWBQHYVXXEP-UNMCSNQZSA-N 1 0 394.515 3.742 20 30 GHEDRO N#Cc1cc(NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)ccn1 ZINC001458084341 1063554180 /nfs/dbraw/zinc/55/41/80/1063554180.db2.gz ZMXATUCOMVQCFH-UHFFFAOYSA-N 1 0 389.425 3.596 20 30 GHEDRO C[C@@H]1CCC[C@](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)([NH+](C)C)C1 ZINC001458125136 1063584183 /nfs/dbraw/zinc/58/41/83/1063584183.db2.gz ZYQMDXRXTSWARZ-ODXCJYRJSA-N 1 0 376.426 3.868 20 30 GHEDRO C[C@@H](CNc1cc(C#N)c(Br)cn1)[N@@H+]1CCc2sccc2C1 ZINC001458147040 1063602107 /nfs/dbraw/zinc/60/21/07/1063602107.db2.gz ZYBYUNLZPVJIBG-NSHDSACASA-N 1 0 377.311 3.636 20 30 GHEDRO Cc1cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC001458285817 1063722350 /nfs/dbraw/zinc/72/23/50/1063722350.db2.gz JROPOIVDRJOBRW-UHFFFAOYSA-N 1 0 379.464 3.913 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNc2cccc(C#N)c2[N+](=O)[O-])CCOCC1 ZINC001458577245 1063899927 /nfs/dbraw/zinc/89/99/27/1063899927.db2.gz DRVBDIWDOLMGGR-UHFFFAOYSA-N 1 0 380.448 3.560 20 30 GHEDRO C=CCC(C)(C)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001438256190 1064019004 /nfs/dbraw/zinc/01/90/04/1064019004.db2.gz FFIASOLSTPEPNX-UHFFFAOYSA-N 1 0 388.512 3.680 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1CC1CC1 ZINC001350482210 1064101945 /nfs/dbraw/zinc/10/19/45/1064101945.db2.gz OFLJKUHFWUSXMN-NQIIRXRSSA-N 1 0 392.551 3.806 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC001459979801 1064315936 /nfs/dbraw/zinc/31/59/36/1064315936.db2.gz KSQYICLTJKRMJZ-WIYYLYMNSA-N 1 0 396.478 3.934 20 30 GHEDRO C=CC[C@@H]1[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CCCC1(C)C ZINC001460029935 1064359336 /nfs/dbraw/zinc/35/93/36/1064359336.db2.gz OFFSXQUKTAKCOL-NRFANRHFSA-N 1 0 380.536 3.598 20 30 GHEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001351407042 1064433646 /nfs/dbraw/zinc/43/36/46/1064433646.db2.gz GHNLKDHPGOWYRC-UHFFFAOYSA-N 1 0 387.524 3.715 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847344836 1065097950 /nfs/dbraw/zinc/09/79/50/1065097950.db2.gz WUBDRGUQDGHZOM-IDHHARJASA-N 1 0 377.891 3.527 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(F)cc(Br)c1N)C(C)C ZINC001464868083 1065252392 /nfs/dbraw/zinc/25/23/92/1065252392.db2.gz DFGSSPXRPBYVPO-INIZCTEOSA-N 1 0 398.320 3.599 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001352843368 1065363561 /nfs/dbraw/zinc/36/35/61/1065363561.db2.gz FBMQXAXNGDHFBS-UHFFFAOYSA-N 1 0 393.531 3.868 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC(F)(F)C(F)F ZINC001352872162 1065399395 /nfs/dbraw/zinc/39/93/95/1065399395.db2.gz OBXBRMQGJRRJFX-UHFFFAOYSA-N 1 0 388.327 3.886 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001465375190 1065574483 /nfs/dbraw/zinc/57/44/83/1065574483.db2.gz SDNDNEKAZPQUPM-SQNIBIBYSA-N 1 0 381.561 3.567 20 30 GHEDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC001465906323 1065916498 /nfs/dbraw/zinc/91/64/98/1065916498.db2.gz NJYKCNOWZUHLSJ-SFHVURJKSA-N 1 0 388.487 3.846 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300291539 1065938036 /nfs/dbraw/zinc/93/80/36/1065938036.db2.gz TWEQYEPBUFKPDJ-FXAWDEMLSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300313283 1065972043 /nfs/dbraw/zinc/97/20/43/1065972043.db2.gz FODFYSUQKMDIEB-GOSISDBHSA-N 1 0 397.542 3.588 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001300317770 1065980269 /nfs/dbraw/zinc/98/02/69/1065980269.db2.gz UYYKUCHPSIQUMN-DYESRHJHSA-N 1 0 397.542 3.911 20 30 GHEDRO CCCCCCCCCNC(=S)N1CCN(c2cc(C)nc(C)n2)CC1 ZINC001200374255 1066012409 /nfs/dbraw/zinc/01/24/09/1066012409.db2.gz MQDQMTJXGXMOPI-UHFFFAOYSA-N 1 0 377.602 3.841 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2Cc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847747950 1066032379 /nfs/dbraw/zinc/03/23/79/1066032379.db2.gz UJEPYMADKPNLRS-OAQYLSRUSA-N 1 0 378.447 3.815 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001466207185 1066034412 /nfs/dbraw/zinc/03/44/12/1066034412.db2.gz CJAVLDUPDOQMNK-MOJGAOKDSA-N 1 0 391.515 3.977 20 30 GHEDRO COCCC1(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000847749023 1066037535 /nfs/dbraw/zinc/03/75/35/1066037535.db2.gz LVXTUSGMCSVJDL-UHFFFAOYSA-N 1 0 384.520 3.932 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001353699762 1066150544 /nfs/dbraw/zinc/15/05/44/1066150544.db2.gz MFRPVNBXEVFHTR-ICSRJNTNSA-N 1 0 393.539 3.514 20 30 GHEDRO C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001300386077 1066153457 /nfs/dbraw/zinc/15/34/57/1066153457.db2.gz KUFFGIKTFWXBMF-UHFFFAOYSA-N 1 0 383.927 3.686 20 30 GHEDRO C[C@H](CCNC(=O)Nc1nc(Cl)c(C#N)s1)[N@H+](C)Cc1ccccc1 ZINC001466806464 1066326877 /nfs/dbraw/zinc/32/68/77/1066326877.db2.gz VFKJPAPQNZULJG-GFCCVEGCSA-N 1 0 377.901 3.700 20 30 GHEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC001357314010 1067043271 /nfs/dbraw/zinc/04/32/71/1067043271.db2.gz KYKPXTSITYVBEH-KRWDZBQOSA-N 1 0 391.924 3.954 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C)c(C#N)cn2)[NH+]2CCCCC2)cc1 ZINC001467110776 1067075352 /nfs/dbraw/zinc/07/53/52/1067075352.db2.gz PENALJDVBKKVRJ-HXUWFJFHSA-N 1 0 393.491 3.619 20 30 GHEDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1C#N ZINC001467171668 1067118399 /nfs/dbraw/zinc/11/83/99/1067118399.db2.gz WGFBFQPCLPNZPD-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001467196137 1067142393 /nfs/dbraw/zinc/14/23/93/1067142393.db2.gz WSUGFNNFISYURB-QGZVFWFLSA-N 1 0 382.430 3.583 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2n1 ZINC001467351630 1067244677 /nfs/dbraw/zinc/24/46/77/1067244677.db2.gz BEUYPZMDJOMQKY-JTSKRJEESA-N 1 0 389.503 3.864 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)cc2n1 ZINC001467353962 1067246671 /nfs/dbraw/zinc/24/66/71/1067246671.db2.gz VEVHRNYUPWQMKE-FQEVSTJZSA-N 1 0 381.455 3.786 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CC[NH+](C4CCC(C)CC4)CC3)cc21 ZINC001467381090 1067265066 /nfs/dbraw/zinc/26/50/66/1067265066.db2.gz ZBPSFOAKKPXDLX-UHFFFAOYSA-N 1 0 381.524 3.951 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC001467597395 1067378384 /nfs/dbraw/zinc/37/83/84/1067378384.db2.gz PPIZOWUUHFJGQQ-UHFFFAOYSA-N 1 0 388.515 3.855 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC001473432673 1067559443 /nfs/dbraw/zinc/55/94/43/1067559443.db2.gz VXXJVKPYQUOTSE-HNNXBMFYSA-N 1 0 382.346 3.524 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001358878934 1067591901 /nfs/dbraw/zinc/59/19/01/1067591901.db2.gz IGGWNSNFBYMTOB-AEFFLSMTSA-N 1 0 395.507 3.981 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358879747 1067592656 /nfs/dbraw/zinc/59/26/56/1067592656.db2.gz XVYXXISHWGZGEL-SJORKVTESA-N 1 0 383.540 3.815 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CC1CC[NH+](CCC)CC1 ZINC001358883192 1067594553 /nfs/dbraw/zinc/59/45/53/1067594553.db2.gz PKMLNNNXTAHGPO-KRWDZBQOSA-N 1 0 383.515 3.664 20 30 GHEDRO C#CCCCn1c(N2CC[N@@H+](CC)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001358936310 1067619808 /nfs/dbraw/zinc/61/98/08/1067619808.db2.gz KDYQDZLNJQKGSY-FQEVSTJZSA-N 1 0 391.563 3.692 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001358940513 1067621943 /nfs/dbraw/zinc/62/19/43/1067621943.db2.gz AFJFABIJKKPXRU-UHFFFAOYSA-N 1 0 385.943 3.932 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001358939572 1067621968 /nfs/dbraw/zinc/62/19/68/1067621968.db2.gz ZEYIRZWZIXOXHE-QGZVFWFLSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001358943804 1067624799 /nfs/dbraw/zinc/62/47/99/1067624799.db2.gz WRZBKBFLSKYZMY-IBGZPJMESA-N 1 0 395.551 3.535 20 30 GHEDRO C#CCN(C)c1nnc(CC2CCCC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001358951529 1067627682 /nfs/dbraw/zinc/62/76/82/1067627682.db2.gz AOUXDYJHPVNMDH-LJQANCHMSA-N 1 0 379.552 3.601 20 30 GHEDRO C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001358952112 1067628187 /nfs/dbraw/zinc/62/81/87/1067628187.db2.gz YIHYQJXKRPLXLY-JOCHJYFZSA-N 1 0 393.579 3.643 20 30 GHEDRO C#CCN(CC#C)c1nnc([C@H](C)CC)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358968825 1067630367 /nfs/dbraw/zinc/63/03/67/1067630367.db2.gz ADMWLTORPMGCFN-RTBURBONSA-N 1 0 395.576 3.763 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)C)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001359000142 1067643451 /nfs/dbraw/zinc/64/34/51/1067643451.db2.gz NBNMWIAHGJQYIA-OAQYLSRUSA-N 1 0 379.552 3.772 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359011584 1067652410 /nfs/dbraw/zinc/65/24/10/1067652410.db2.gz CPGRNYCAKBXXTH-HXUWFJFHSA-N 1 0 399.608 3.900 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359119554 1067696896 /nfs/dbraw/zinc/69/68/96/1067696896.db2.gz BEVQWIZPHQTPOU-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](CC)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001359124888 1067698277 /nfs/dbraw/zinc/69/82/77/1067698277.db2.gz IKFDOHIDIBYUSE-IBGZPJMESA-N 1 0 379.552 3.855 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359145301 1067707900 /nfs/dbraw/zinc/70/79/00/1067707900.db2.gz LXHKXLDURRXBSW-UHFFFAOYSA-N 1 0 377.920 3.910 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC001468387965 1067714127 /nfs/dbraw/zinc/71/41/27/1067714127.db2.gz OAJHSOLYDDANAN-QHCPKHFHSA-N 1 0 391.515 3.643 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359166925 1067720925 /nfs/dbraw/zinc/72/09/25/1067720925.db2.gz MIAHGIGAEJAPHT-HXUWFJFHSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccn3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001359176678 1067735746 /nfs/dbraw/zinc/73/57/46/1067735746.db2.gz JZJVXXNZMXFCJM-UHFFFAOYSA-N 1 0 394.567 3.865 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)CCCC)CC1 ZINC001359178581 1067738163 /nfs/dbraw/zinc/73/81/63/1067738163.db2.gz WHRSMMRCNZUELX-IBGZPJMESA-N 1 0 375.561 3.654 20 30 GHEDRO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001468478860 1067746192 /nfs/dbraw/zinc/74/61/92/1067746192.db2.gz OIBPWPJKCFNFQM-UGKGYDQZSA-N 1 0 382.548 3.856 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359187889 1067754774 /nfs/dbraw/zinc/75/47/74/1067754774.db2.gz AUKHDSVAZGQVGK-CEXWTWQISA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001359235440 1067839916 /nfs/dbraw/zinc/83/99/16/1067839916.db2.gz ZTJIXOHDFONHHM-QGZVFWFLSA-N 1 0 390.963 3.982 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccn2C)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001359237045 1067842971 /nfs/dbraw/zinc/84/29/71/1067842971.db2.gz IZBYGIRGYFPDRM-UHFFFAOYSA-N 1 0 392.551 3.796 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CC1([NH+](C)C)CCCCC1 ZINC001359256142 1067914337 /nfs/dbraw/zinc/91/43/37/1067914337.db2.gz WNSVHIDECYGEIV-UHFFFAOYSA-N 1 0 392.551 3.915 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CCc2cc(F)ccc2C1)C(C)C ZINC001359264869 1067927902 /nfs/dbraw/zinc/92/79/02/1067927902.db2.gz RSSLJCPWRPODBW-JOCHJYFZSA-N 1 0 397.542 3.987 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001477915576 1078625952 /nfs/dbraw/zinc/62/59/52/1078625952.db2.gz IXJWZWDRAYVJIS-UXHICEINSA-N 1 0 391.515 3.503 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001468941162 1067933206 /nfs/dbraw/zinc/93/32/06/1067933206.db2.gz YNGHDPFVLCWXIJ-QFIPXVFZSA-N 1 0 377.532 3.502 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359269608 1067935235 /nfs/dbraw/zinc/93/52/35/1067935235.db2.gz IKERLZQJLFVHEB-IBGZPJMESA-N 1 0 382.556 3.727 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@H+]1CC ZINC001359269826 1067935322 /nfs/dbraw/zinc/93/53/22/1067935322.db2.gz QYWGKTQNWYVIQQ-GOSISDBHSA-N 1 0 381.524 3.616 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@H+]1CC ZINC001359269827 1067935393 /nfs/dbraw/zinc/93/53/93/1067935393.db2.gz QYWGKTQNWYVIQQ-SFHVURJKSA-N 1 0 381.524 3.616 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359288924 1067982858 /nfs/dbraw/zinc/98/28/58/1067982858.db2.gz KBDXGNUEDIXZAY-FQEVSTJZSA-N 1 0 393.579 3.950 20 30 GHEDRO C#CCN(C(=O)NCc1ccccc1OCCC[N@@H+](C)C1CCCC1)C1CC1 ZINC001469124825 1067987664 /nfs/dbraw/zinc/98/76/64/1067987664.db2.gz OTMOFADBIMTQHV-UHFFFAOYSA-N 1 0 383.536 3.637 20 30 GHEDRO CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001359686794 1068132760 /nfs/dbraw/zinc/13/27/60/1068132760.db2.gz RCBBMFKTABWSLI-GOSISDBHSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001359974011 1068287853 /nfs/dbraw/zinc/28/78/53/1068287853.db2.gz OFQIAOHHERZHBK-SFHVURJKSA-N 1 0 380.540 3.641 20 30 GHEDRO C#C[C@H]1CCCN(C(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)C1 ZINC001478067296 1078700602 /nfs/dbraw/zinc/70/06/02/1078700602.db2.gz ZKGNBJQDHKYJNC-FQEVSTJZSA-N 1 0 397.563 3.885 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360148318 1068387693 /nfs/dbraw/zinc/38/76/93/1068387693.db2.gz VCXKJKXYCJFHKO-GOSISDBHSA-N 1 0 385.577 3.605 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001360337219 1068456834 /nfs/dbraw/zinc/45/68/34/1068456834.db2.gz HWGXXUIDJKANFL-JOCHJYFZSA-N 1 0 376.500 3.678 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001360780895 1068626148 /nfs/dbraw/zinc/62/61/48/1068626148.db2.gz MZLTXNOSFZEPHE-JOCHJYFZSA-N 1 0 384.572 3.580 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001470238283 1068640647 /nfs/dbraw/zinc/64/06/47/1068640647.db2.gz VIXPOSGNDBOFEK-IKGGRYGDSA-N 1 0 386.323 3.629 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001478285336 1078797643 /nfs/dbraw/zinc/79/76/43/1078797643.db2.gz WOVOOIDBAASCOU-FUBOCBINSA-N 1 0 379.548 3.778 20 30 GHEDRO C[C@H]1CCC[N@H+](CCOc2ccccc2C#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460335174 1068931156 /nfs/dbraw/zinc/93/11/56/1068931156.db2.gz HCKXZTSJCFVJDW-PKOBYXMFSA-N 1 0 387.524 3.952 20 30 GHEDRO CN(C)c1ccc(NC(=O)CC[NH+]2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC001460550042 1068992917 /nfs/dbraw/zinc/99/29/17/1068992917.db2.gz ZUPCJUXKDLXLNK-UHFFFAOYSA-N 1 0 391.519 3.529 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460628539 1069041652 /nfs/dbraw/zinc/04/16/52/1069041652.db2.gz WHNATFMHGBJXJT-JTHBVZDNSA-N 1 0 396.579 3.908 20 30 GHEDRO C[C@]12CN(Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001460633854 1069043481 /nfs/dbraw/zinc/04/34/81/1069043481.db2.gz AEIDNCGMMJFULH-ZRZAMGCNSA-N 1 0 390.487 3.810 20 30 GHEDRO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC001460652713 1069058993 /nfs/dbraw/zinc/05/89/93/1069058993.db2.gz KVCSOKLTYYDXJK-AVRDEDQJSA-N 1 0 386.442 3.673 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@]34CCOC4)sc2C1 ZINC001460960706 1069299432 /nfs/dbraw/zinc/29/94/32/1069299432.db2.gz SLBTVLVYXKJZKK-YCRPNKLZSA-N 1 0 387.549 3.718 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC001470785885 1072738804 /nfs/dbraw/zinc/73/88/04/1072738804.db2.gz FBLNWZNYVAOXIX-LEWJYISDSA-N 1 0 379.589 3.901 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)NC(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001478765981 1078979868 /nfs/dbraw/zinc/97/98/68/1078979868.db2.gz KCPWYAXZXGEOQU-GCJKJVERSA-N 1 0 390.531 3.842 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCC#C[C@@H]2CCCCO2)CCCCC1 ZINC001471254077 1072984352 /nfs/dbraw/zinc/98/43/52/1072984352.db2.gz DVWYFHVDLQAQOF-QFIPXVFZSA-N 1 0 397.563 3.693 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001471542460 1073123380 /nfs/dbraw/zinc/12/33/80/1073123380.db2.gz BIHDTPJOMLUOTF-JOCHJYFZSA-N 1 0 380.536 3.753 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001478966175 1079042604 /nfs/dbraw/zinc/04/26/04/1079042604.db2.gz MGGYBCKANITAAI-UHFFFAOYSA-N 1 0 390.531 3.702 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC001479089450 1079099369 /nfs/dbraw/zinc/09/93/69/1079099369.db2.gz VXJDAXWTAXTHPH-SJLPKXTDSA-N 1 0 383.323 3.931 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1C#N ZINC001479144753 1079122108 /nfs/dbraw/zinc/12/21/08/1079122108.db2.gz XOTLFZVRKHGDLD-LJQANCHMSA-N 1 0 386.565 3.876 20 30 GHEDRO COc1ccccc1[C@@H](CNc1cc(C#N)nc(C2CC2)n1)[NH+]1CCCCC1 ZINC001472664610 1073604026 /nfs/dbraw/zinc/60/40/26/1073604026.db2.gz UREVDSIAZNTXJD-LJQANCHMSA-N 1 0 377.492 3.873 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC001472666555 1073605042 /nfs/dbraw/zinc/60/50/42/1073605042.db2.gz BATBTSJXPFZRED-XQQFMLRXSA-N 1 0 376.426 3.724 20 30 GHEDRO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473197103 1073849114 /nfs/dbraw/zinc/84/91/14/1073849114.db2.gz RMFBYOZITNJMHT-XZOQPEGZSA-N 1 0 391.515 3.573 20 30 GHEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001473213341 1073864966 /nfs/dbraw/zinc/86/49/66/1073864966.db2.gz TZYOAGRCENILSR-RUZDIDTESA-N 1 0 386.495 3.631 20 30 GHEDRO N#Cc1cccc(OCC[NH+]2CCN(c3cccc(Br)c3)CC2)c1 ZINC001473463062 1073977494 /nfs/dbraw/zinc/97/74/94/1073977494.db2.gz OMAUGFWCWFURQA-UHFFFAOYSA-N 1 0 386.293 3.522 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC001473574803 1074024172 /nfs/dbraw/zinc/02/41/72/1074024172.db2.gz AEKZDAOOTSIXKL-UHFFFAOYSA-N 1 0 390.487 3.777 20 30 GHEDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001473581117 1074028770 /nfs/dbraw/zinc/02/87/70/1074028770.db2.gz IJUPDFDZXUNTMN-DEOSSOPVSA-N 1 0 390.458 3.522 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001473627803 1074057263 /nfs/dbraw/zinc/05/72/63/1074057263.db2.gz QCDATBAVIYVOQU-RXVVDRJESA-N 1 0 389.971 3.881 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2(C)C)c1 ZINC001473726942 1074110726 /nfs/dbraw/zinc/11/07/26/1074110726.db2.gz SNDKFHSKMJEKGY-IBGZPJMESA-N 1 0 393.462 3.723 20 30 GHEDRO CC1(C)CC[C@@H]([NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@@H](c2ccccc2)C1 ZINC001473743957 1074119695 /nfs/dbraw/zinc/11/96/95/1074119695.db2.gz YFAVUHWWVKSEDF-RTBURBONSA-N 1 0 375.476 3.759 20 30 GHEDRO C#CCOCC[N@H+]1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001473779720 1074138321 /nfs/dbraw/zinc/13/83/21/1074138321.db2.gz QRXRKVZNSTYDNK-AZUAARDMSA-N 1 0 378.557 3.822 20 30 GHEDRO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001473838970 1074167949 /nfs/dbraw/zinc/16/79/49/1074167949.db2.gz ONOVXSYTBJBTRI-INIZCTEOSA-N 1 0 379.529 3.773 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](Cc1ccccc1)OC ZINC001474153425 1074278703 /nfs/dbraw/zinc/27/87/03/1074278703.db2.gz IXEXTAFNGQCPCD-LJQANCHMSA-N 1 0 388.305 3.808 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC001474255698 1074311324 /nfs/dbraw/zinc/31/13/24/1074311324.db2.gz VFLMVEKKOPDVOT-UAPYVXQJSA-N 1 0 380.492 3.674 20 30 GHEDRO C[C@H]1C[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001493344453 1079261558 /nfs/dbraw/zinc/26/15/58/1079261558.db2.gz WMGGHQDZZFXCRR-FXAWDEMLSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H]1CC[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCC1 ZINC001493410912 1079267263 /nfs/dbraw/zinc/26/72/63/1079267263.db2.gz PEIKFQREEQCQHE-ZWKOTPCHSA-N 1 0 392.551 3.926 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)ccc1C#N ZINC001474589356 1074473002 /nfs/dbraw/zinc/47/30/02/1074473002.db2.gz YJXIFPTTXKTPFX-GJYPPUQNSA-N 1 0 387.524 3.938 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cn(-c3cccc(Cl)c3Cl)nn1)C2 ZINC001474677579 1074510018 /nfs/dbraw/zinc/51/00/18/1074510018.db2.gz QHOCQDHZHCAPAH-HNNXBMFYSA-N 1 0 384.270 3.703 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001493786650 1079297275 /nfs/dbraw/zinc/29/72/75/1079297275.db2.gz YBUGTBPTWZYPET-RTBURBONSA-N 1 0 395.555 3.591 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001493909656 1079307659 /nfs/dbraw/zinc/30/76/59/1079307659.db2.gz QXTZBVZFMCFHGF-OALUTQOASA-N 1 0 392.551 3.927 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1C ZINC001475325181 1074834233 /nfs/dbraw/zinc/83/42/33/1074834233.db2.gz SRPUUNAIYXKOLR-HKUYNNGSSA-N 1 0 398.617 3.574 20 30 GHEDRO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2C#N)[NH+](CC)CC)cc1 ZINC001475346360 1074841937 /nfs/dbraw/zinc/84/19/37/1074841937.db2.gz YNCQCGVUBQITCL-NRFANRHFSA-N 1 0 399.560 3.791 20 30 GHEDRO C#CCN1CCC[C@H](NC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC001475849219 1075033977 /nfs/dbraw/zinc/03/39/77/1075033977.db2.gz CLUPWHMBRPRKEH-ZDUSSCGKSA-N 1 0 389.805 3.500 20 30 GHEDRO C#CC[C@@H]1CCN(C(=O)Nc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)C1 ZINC001476038061 1075072963 /nfs/dbraw/zinc/07/29/63/1075072963.db2.gz XNLHTZUXWLYYPK-QGZVFWFLSA-N 1 0 388.943 3.749 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001476056717 1075076502 /nfs/dbraw/zinc/07/65/02/1075076502.db2.gz JWTTTYAOVJBULH-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001476223585 1075105874 /nfs/dbraw/zinc/10/58/74/1075105874.db2.gz CJDVULSLAIIKOH-SFHVURJKSA-N 1 0 389.858 3.916 20 30 GHEDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001476245841 1075109944 /nfs/dbraw/zinc/10/99/44/1075109944.db2.gz YVZQILCWTNAQLT-UHFFFAOYSA-N 1 0 393.531 3.909 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)cc1Cl ZINC001658375631 1126262161 /nfs/dbraw/zinc/26/21/61/1126262161.db2.gz CGQGISNBVNOOGP-NRFANRHFSA-N 1 0 375.896 3.997 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C1 ZINC000736756884 600593257 /nfs/dbraw/zinc/59/32/57/600593257.db2.gz XIGSQTKENMLFLO-IEGUWTFLSA-N 1 0 391.515 3.952 20 30 GHEDRO N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000833070819 604498032 /nfs/dbraw/zinc/49/80/32/604498032.db2.gz AQANPAWRHHJIMG-RJGXRXQPSA-N 1 0 389.499 3.670 20 30 GHEDRO CCC(CC)CN(CCC#N)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820892956 606502052 /nfs/dbraw/zinc/50/20/52/606502052.db2.gz HJXWAMFVOXQCNK-UHFFFAOYSA-N 1 0 378.427 3.620 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC)c1ccccc1 ZINC000823894251 608537753 /nfs/dbraw/zinc/53/77/53/608537753.db2.gz LKKNMLPCJWSIPR-GOSISDBHSA-N 1 0 379.464 3.551 20 30 GHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)c(COCC)c1 ZINC000823914111 608631122 /nfs/dbraw/zinc/63/11/22/608631122.db2.gz AGAFPKWGLYCOOC-UHFFFAOYSA-N 1 0 393.491 3.600 20 30 GHEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914937 608631929 /nfs/dbraw/zinc/63/19/29/608631929.db2.gz PJAOGBRFSHMYMC-UHFFFAOYSA-N 1 0 389.438 3.584 20 30 GHEDRO C=CC[N@@H+](Cc1cc2cccc(OC)c2o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915329 608632262 /nfs/dbraw/zinc/63/22/62/608632262.db2.gz VAYFTKCICOHXGW-UHFFFAOYSA-N 1 0 375.432 3.810 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@@H]43)cc2c1Cl ZINC001164448945 719003564 /nfs/dbraw/zinc/00/35/64/719003564.db2.gz KKJSZXMIROCPPG-KGLIPLIRSA-N 1 0 383.229 3.899 20 30 GHEDRO N#Cc1cc(C#N)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164621772 719076772 /nfs/dbraw/zinc/07/67/72/719076772.db2.gz HNDNRPQLGOCZJU-LPHOPBHVSA-N 1 0 377.879 3.579 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164838233 720655243 /nfs/dbraw/zinc/65/52/43/720655243.db2.gz GPGSQRSZLPBRSA-LJQANCHMSA-N 1 0 396.922 3.867 20 30 GHEDRO Cc1nc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C#N ZINC001164793008 721496298 /nfs/dbraw/zinc/49/62/98/721496298.db2.gz YPOHLCJSTOGJKX-UHFFFAOYSA-N 1 0 396.926 3.586 20 30 GHEDRO Cc1ccc(CC#N)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911819 721726405 /nfs/dbraw/zinc/72/64/05/721726405.db2.gz KQITVXITGDBZAO-NRFANRHFSA-N 1 0 397.473 3.589 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(C#N)cc1 ZINC000579928713 837385461 /nfs/dbraw/zinc/38/54/61/837385461.db2.gz BFLOJDJYNDYNQQ-ACJLOTCBSA-N 1 0 384.277 3.777 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc2c(c1)OCCO2 ZINC000180644516 837420857 /nfs/dbraw/zinc/42/08/57/837420857.db2.gz ZVWWUBKRVICJOW-SUMWQHHRSA-N 1 0 383.448 3.607 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000180640614 837428918 /nfs/dbraw/zinc/42/89/18/837428918.db2.gz UNLHIBSSZMAVSD-KRWDZBQOSA-N 1 0 385.851 3.662 20 30 GHEDRO Cc1ccc(Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cn2)cc1 ZINC000176551709 837433626 /nfs/dbraw/zinc/43/36/26/837433626.db2.gz RKOGAICJADJWMH-UHFFFAOYSA-N 1 0 381.480 3.882 20 30 GHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1ccc(C#N)cc1 ZINC000102981547 837451896 /nfs/dbraw/zinc/45/18/96/837451896.db2.gz OAGDKTVXNJGSRR-CTNGQTDRSA-N 1 0 377.513 3.793 20 30 GHEDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000581111806 837475420 /nfs/dbraw/zinc/47/54/20/837475420.db2.gz LEJJZWKWEATQDT-OTBHMBEGSA-N 1 0 379.508 3.693 20 30 GHEDRO N#Cc1ccc2ncc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)n2c1 ZINC000180735519 837505368 /nfs/dbraw/zinc/50/53/68/837505368.db2.gz OPDKVIPRHDNCTH-GMAHTHKFSA-N 1 0 385.515 3.692 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000581417345 837514503 /nfs/dbraw/zinc/51/45/03/837514503.db2.gz XSQXICQGHJXBGL-QGZVFWFLSA-N 1 0 390.365 3.608 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000180762918 837522904 /nfs/dbraw/zinc/52/29/04/837522904.db2.gz NMZGACQFUPUVLP-DOMZBBRYSA-N 1 0 376.806 3.632 20 30 GHEDRO N#Cc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000581552101 837539103 /nfs/dbraw/zinc/53/91/03/837539103.db2.gz KYHGCVLOOBAMDZ-UHFFFAOYSA-N 1 0 381.442 3.654 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000613300932 837553517 /nfs/dbraw/zinc/55/35/17/837553517.db2.gz CDUQEBKVDKHHBE-IBGZPJMESA-N 1 0 378.476 3.601 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000644147181 837557157 /nfs/dbraw/zinc/55/71/57/837557157.db2.gz MPTZXSXMBBEMPP-UHFFFAOYSA-N 1 0 381.442 3.540 20 30 GHEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1OC ZINC000581693626 837581235 /nfs/dbraw/zinc/58/12/35/837581235.db2.gz HNGAUSOWAXSMLS-UHFFFAOYSA-N 1 0 393.487 3.735 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000176711977 837719531 /nfs/dbraw/zinc/71/95/31/837719531.db2.gz BSCFKGTZHJAXAY-NRFANRHFSA-N 1 0 397.906 3.680 20 30 GHEDRO CC(=O)c1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000581892199 837742926 /nfs/dbraw/zinc/74/29/26/837742926.db2.gz DWUGWURQEWPNHE-UHFFFAOYSA-N 1 0 378.476 3.665 20 30 GHEDRO COC(=O)c1cc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)oc1C ZINC000293042729 837744133 /nfs/dbraw/zinc/74/41/33/837744133.db2.gz XKHLMCNFULAIGW-CQSZACIVSA-N 1 0 395.459 3.658 20 30 GHEDRO C=C(C)[C@H](CO)[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000683102982 834478629 /nfs/dbraw/zinc/47/86/29/834478629.db2.gz ICNLGOIOPSXWFR-INIZCTEOSA-N 1 0 392.297 3.616 20 30 GHEDRO N#Cc1cc(Cl)cc(C(=O)N2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)c1 ZINC001279105560 834488844 /nfs/dbraw/zinc/48/88/44/834488844.db2.gz CLGXDFZLLNKPPB-UHFFFAOYSA-N 1 0 385.817 3.702 20 30 GHEDRO N#Cc1cccc(OCCN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000583523104 834563266 /nfs/dbraw/zinc/56/32/66/834563266.db2.gz MKXJCLRVMZCSPE-IBGZPJMESA-N 1 0 392.377 3.909 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(C)cc1 ZINC000278318341 834648018 /nfs/dbraw/zinc/64/80/18/834648018.db2.gz SHIHGFCBDBLQRG-UHFFFAOYSA-O 1 0 399.536 3.786 20 30 GHEDRO COc1nc2ccccc2cc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092854400 834690215 /nfs/dbraw/zinc/69/02/15/834690215.db2.gz FRLFWPDIOYSFLM-UHFFFAOYSA-N 1 0 388.471 3.990 20 30 GHEDRO N#Cc1c(Cl)nsc1NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000052445776 834691875 /nfs/dbraw/zinc/69/18/75/834691875.db2.gz KTKUNEFQKXEMPU-UHFFFAOYSA-N 1 0 375.929 3.682 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)nc1 ZINC000430165448 834720754 /nfs/dbraw/zinc/72/07/54/834720754.db2.gz PYXDCJFNOKNOQA-NRFANRHFSA-N 1 0 395.466 3.945 20 30 GHEDRO CC(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000329291960 834776591 /nfs/dbraw/zinc/77/65/91/834776591.db2.gz NOJRREUGIKIZDP-RXVVDRJESA-N 1 0 387.524 3.629 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179065 834801544 /nfs/dbraw/zinc/80/15/44/834801544.db2.gz NJIORGBZTVCFGM-NRFANRHFSA-N 1 0 378.520 3.565 20 30 GHEDRO C=CCC[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000246159113 834814337 /nfs/dbraw/zinc/81/43/37/834814337.db2.gz GBHXUNISHUCMGB-FDFHNCONSA-N 1 0 385.552 3.761 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2sc(C)nc2C)c(OC)c1 ZINC000246287037 834855964 /nfs/dbraw/zinc/85/59/64/834855964.db2.gz BGCXTRBNGNKMNM-CRAIPNDOSA-N 1 0 390.549 3.930 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510088365 835084388 /nfs/dbraw/zinc/08/43/88/835084388.db2.gz PZDQRULKHABGHH-DXIQSLLYSA-N 1 0 391.515 3.742 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000278440350 835095541 /nfs/dbraw/zinc/09/55/41/835095541.db2.gz LLVNICQTUFCILL-LJQANCHMSA-N 1 0 379.932 3.709 20 30 GHEDRO C#CCOc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001266289243 835186721 /nfs/dbraw/zinc/18/67/21/835186721.db2.gz HVRWNLYDXYZVJC-TZIWHRDSSA-N 1 0 376.500 3.729 20 30 GHEDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278564638 835406010 /nfs/dbraw/zinc/40/60/10/835406010.db2.gz CVQVDMZZLNVGRO-CRAIPNDOSA-N 1 0 381.505 3.522 20 30 GHEDRO Cc1ccc(OCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023450956 835491289 /nfs/dbraw/zinc/49/12/89/835491289.db2.gz FNQMFMROQCEMEX-UHFFFAOYSA-N 1 0 391.515 3.760 20 30 GHEDRO Cc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000023451364 835491311 /nfs/dbraw/zinc/49/13/11/835491311.db2.gz VFEKYXVCHQIJPJ-UHFFFAOYSA-N 1 0 375.516 3.842 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1Cl ZINC000278592960 835495071 /nfs/dbraw/zinc/49/50/71/835495071.db2.gz HCWQCSRXEMBPBL-UHFFFAOYSA-N 1 0 381.867 3.811 20 30 GHEDRO C=C[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248385561 835511959 /nfs/dbraw/zinc/51/19/59/835511959.db2.gz JAWHJGAZBSFJML-CVDCTZTESA-N 1 0 378.516 3.619 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H](C)C1 ZINC000120509122 835523191 /nfs/dbraw/zinc/52/31/91/835523191.db2.gz LOCWBACVZZVRIX-CZUORRHYSA-N 1 0 398.429 3.693 20 30 GHEDRO COc1cccc(CC2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000612122949 835550658 /nfs/dbraw/zinc/55/06/58/835550658.db2.gz ANXFMRCOJAURME-UHFFFAOYSA-N 1 0 391.515 3.897 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC2(c3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000278614590 835552510 /nfs/dbraw/zinc/55/25/10/835552510.db2.gz JCPVMDYDZCTWIL-UHFFFAOYSA-N 1 0 375.451 3.819 20 30 GHEDRO C=CCC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248439750 835567712 /nfs/dbraw/zinc/56/77/12/835567712.db2.gz IZKYWPQQYSMMEM-DHIUTWEWSA-N 1 0 393.531 3.760 20 30 GHEDRO CCC[C@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000584117240 835658755 /nfs/dbraw/zinc/65/87/55/835658755.db2.gz ZJXOFZBIWLZHOX-YOEHRIQHSA-N 1 0 377.554 3.604 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278644063 835688088 /nfs/dbraw/zinc/68/80/88/835688088.db2.gz LSTNLLVHGCEIQN-GOSISDBHSA-N 1 0 389.503 3.836 20 30 GHEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000179633457 835707554 /nfs/dbraw/zinc/70/75/54/835707554.db2.gz BJFWPZBPUBHCMX-FQEVSTJZSA-N 1 0 388.471 3.736 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000892448636 835760411 /nfs/dbraw/zinc/76/04/11/835760411.db2.gz UKOKIQCTYOTLHP-LBZQVFOQSA-N 1 0 394.494 3.927 20 30 GHEDRO C[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+](C2CC2)C1 ZINC000584332905 835889997 /nfs/dbraw/zinc/88/99/97/835889997.db2.gz VOYMPCDWBDNSHR-GOSISDBHSA-N 1 0 389.499 3.694 20 30 GHEDRO C[NH+](C)C1(CNC(=O)NCCSCc2ccccc2C#N)CCCCCC1 ZINC000510143756 835911590 /nfs/dbraw/zinc/91/15/90/835911590.db2.gz FBQBQFVINBCKAZ-UHFFFAOYSA-N 1 0 388.581 3.745 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549684069 844107237 /nfs/dbraw/zinc/10/72/37/844107237.db2.gz CZVXRNUMTURHPS-HXUWFJFHSA-N 1 0 394.567 3.865 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179781270 835977236 /nfs/dbraw/zinc/97/72/36/835977236.db2.gz PDDLAHWNOHRVLH-OAHLLOKOSA-N 1 0 379.460 3.645 20 30 GHEDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c2ccc(F)cc2O1 ZINC000584465137 836013217 /nfs/dbraw/zinc/01/32/17/836013217.db2.gz VGCZWDAMYOAFMO-FXAWDEMLSA-N 1 0 384.451 3.523 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc(OC)c1O ZINC000092644696 844142995 /nfs/dbraw/zinc/14/29/95/844142995.db2.gz YIUKANDYVRQLDL-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO CC(C)Oc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000569999053 836250858 /nfs/dbraw/zinc/25/08/58/836250858.db2.gz AAGCYFDBXGKLNV-UHFFFAOYSA-N 1 0 389.503 3.978 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1[nH]c2ccccc2c1Cl ZINC000065930424 836254454 /nfs/dbraw/zinc/25/44/54/836254454.db2.gz OLBQBBAQDMZXQG-UHFFFAOYSA-N 1 0 380.879 3.897 20 30 GHEDRO COc1ccc2c(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000728929843 844161321 /nfs/dbraw/zinc/16/13/21/844161321.db2.gz ZTIVWZFBEDTNDT-UHFFFAOYSA-N 1 0 390.439 3.717 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000179972161 836490893 /nfs/dbraw/zinc/49/08/93/836490893.db2.gz KAXRZLLJMBMKBX-OXJNMPFZSA-N 1 0 393.487 3.730 20 30 GHEDRO C=CCCCCC[NH+]1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001209422862 836501961 /nfs/dbraw/zinc/50/19/61/836501961.db2.gz JNLUMSNTXXCDMI-UHFFFAOYSA-N 1 0 393.572 3.524 20 30 GHEDRO COc1ccccc1-c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000179987475 836521269 /nfs/dbraw/zinc/52/12/69/836521269.db2.gz XELYXZWHPGYXTJ-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000582694203 836676458 /nfs/dbraw/zinc/67/64/58/836676458.db2.gz DRYPKFJFTKGHHR-GOSISDBHSA-N 1 0 382.305 3.958 20 30 GHEDRO CCOc1cccc(/C=N\[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1O ZINC000255897402 836743587 /nfs/dbraw/zinc/74/35/87/836743587.db2.gz AOAFCSBDXZDPRL-QRAWFLTRSA-N 1 0 384.476 3.502 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000658931030 836787346 /nfs/dbraw/zinc/78/73/46/836787346.db2.gz SWKJLJVECGKIQK-NWDGAFQWSA-N 1 0 398.322 3.658 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H](C)C1 ZINC000610782407 844207711 /nfs/dbraw/zinc/20/77/11/844207711.db2.gz HEEVFVOKEZMERI-OXQOHEQNSA-N 1 0 393.491 3.940 20 30 GHEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000610786465 844210181 /nfs/dbraw/zinc/21/01/81/844210181.db2.gz SVENVCZOGNYWJE-HSZRJFAPSA-N 1 0 383.536 3.830 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1 ZINC000559344312 836876175 /nfs/dbraw/zinc/87/61/75/836876175.db2.gz ILOBDBDJGGPBHB-QHCPKHFHSA-N 1 0 385.467 3.844 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000175596275 836905556 /nfs/dbraw/zinc/90/55/56/836905556.db2.gz WFPVUQIJDGHRIO-UZLBHIALSA-N 1 0 380.467 3.550 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc(OC)c1OC ZINC000658947685 836918871 /nfs/dbraw/zinc/91/88/71/836918871.db2.gz NALSTVBXMNCFGH-WOJBJXKFSA-N 1 0 398.478 3.528 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472473990 836994384 /nfs/dbraw/zinc/99/43/84/836994384.db2.gz AJOZWDREGKOFTD-NRFANRHFSA-N 1 0 379.504 3.542 20 30 GHEDRO CN(C(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1)C1(C#N)CCCCC1 ZINC000120029338 836994646 /nfs/dbraw/zinc/99/46/46/836994646.db2.gz ZQPFIURHSUXJAB-UHFFFAOYSA-N 1 0 390.325 3.713 20 30 GHEDRO O=C(c1ccc2c(c1)CCCC2)C(C(=S)NC[C@H]1CCCO1)[n+]1ccccc1 ZINC000027070972 837025233 /nfs/dbraw/zinc/02/52/33/837025233.db2.gz YGDPLONVTRXOLT-HXUWFJFHSA-O 1 0 395.548 3.560 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2cc(Br)ccc2F)C2CC2)CCC1 ZINC001167255414 837047079 /nfs/dbraw/zinc/04/70/79/837047079.db2.gz HFTDYIDWWHZOGT-INIZCTEOSA-N 1 0 381.289 3.997 20 30 GHEDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000782785690 837105498 /nfs/dbraw/zinc/10/54/98/837105498.db2.gz ZWEPVTQTDAMEDX-CVEARBPZSA-N 1 0 397.523 3.740 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC000176045033 837130842 /nfs/dbraw/zinc/13/08/42/837130842.db2.gz JVHWOWKLKIVBSG-UHFFFAOYSA-N 1 0 385.733 3.802 20 30 GHEDRO C[N@@H+]1CC[C@H](Nc2cc(Br)cc(C#N)c2NC(=O)OC(C)(C)C)C1 ZINC001167280868 837243364 /nfs/dbraw/zinc/24/33/64/837243364.db2.gz GHLATYUXELISLN-ZDUSSCGKSA-N 1 0 395.301 3.784 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000547856283 837280200 /nfs/dbraw/zinc/28/02/00/837280200.db2.gz ICKYQOMRUPBSDY-MRXNPFEDSA-N 1 0 384.446 3.608 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000540982487 837345100 /nfs/dbraw/zinc/34/51/00/837345100.db2.gz AAGDAZNOVCSGCF-YSZBQJHXSA-N 1 0 394.563 3.686 20 30 GHEDRO C=CCOc1cccc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC000431759164 837356620 /nfs/dbraw/zinc/35/66/20/837356620.db2.gz SRUTWCQPNSHHKY-UHFFFAOYSA-N 1 0 390.487 3.929 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C#N)c1C ZINC000177176527 837882165 /nfs/dbraw/zinc/88/21/65/837882165.db2.gz MUKGOBQUVQAOBJ-GOSISDBHSA-N 1 0 388.581 3.619 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCn2cncc2C1 ZINC000377745888 837895492 /nfs/dbraw/zinc/89/54/92/837895492.db2.gz OCLFEZISAYBMOM-UHFFFAOYSA-N 1 0 387.443 3.690 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)c1C#N ZINC000472616950 837904584 /nfs/dbraw/zinc/90/45/84/837904584.db2.gz PBAMSGWGFYBLHK-INIZCTEOSA-N 1 0 394.519 3.530 20 30 GHEDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000275613975 838021833 /nfs/dbraw/zinc/02/18/33/838021833.db2.gz IPCDSBCGXRSASZ-UHFFFAOYSA-N 1 0 392.503 3.738 20 30 GHEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659307942 838241309 /nfs/dbraw/zinc/24/13/09/838241309.db2.gz RZTDNJIOFDQMGU-BXKDBHETSA-N 1 0 386.311 3.704 20 30 GHEDRO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1C#N ZINC000134989086 838270727 /nfs/dbraw/zinc/27/07/27/838270727.db2.gz QWGNHPNTYXDERL-UHFFFAOYSA-N 1 0 395.478 3.543 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[N@@H+]1C ZINC000610320036 838405363 /nfs/dbraw/zinc/40/53/63/838405363.db2.gz OHKXAUNFPCOJSZ-QAPCUYQASA-N 1 0 379.464 3.692 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610320334 838421327 /nfs/dbraw/zinc/42/13/27/838421327.db2.gz ZKXJSVFCAMCSNA-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@@H]1CC[C@@H](Oc2c(Br)cc(Br)cc2C=NO)C[NH2+]1 ZINC001218403997 838486525 /nfs/dbraw/zinc/48/65/25/838486525.db2.gz YWHIIPKHZVVEQC-LDYMZIIASA-N 1 0 392.091 3.539 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000178904021 838492898 /nfs/dbraw/zinc/49/28/98/838492898.db2.gz ZUKBMHFPRNSKKD-UHFFFAOYSA-N 1 0 394.357 3.676 20 30 GHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000188030559 838493831 /nfs/dbraw/zinc/49/38/31/838493831.db2.gz RJCMAQUZTSNFON-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000103493172 838558940 /nfs/dbraw/zinc/55/89/40/838558940.db2.gz FDGSRJITIVYTQO-QGZVFWFLSA-N 1 0 380.492 3.505 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175861328 838559438 /nfs/dbraw/zinc/55/94/38/838559438.db2.gz DDVMRECSMRFXAW-MOPGFXCFSA-N 1 0 383.517 3.927 20 30 GHEDRO CCN1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549113621 838563565 /nfs/dbraw/zinc/56/35/65/838563565.db2.gz LKTGZGWECDAZDL-FPOVZHCZSA-N 1 0 389.421 3.779 20 30 GHEDRO N#C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000416140485 838613331 /nfs/dbraw/zinc/61/33/31/838613331.db2.gz ULHZXBMXITTZKF-IBGZPJMESA-N 1 0 398.304 3.578 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000215876251 838662111 /nfs/dbraw/zinc/66/21/11/838662111.db2.gz KVEXMWQIOMZGKY-PBHICJAKSA-N 1 0 377.431 3.792 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N(CCC[NH3+])CC3CCCC3)s2)cc1 ZINC000414729374 838787429 /nfs/dbraw/zinc/78/74/29/838787429.db2.gz FDTGZYPZECPVNF-UHFFFAOYSA-N 1 0 397.548 3.978 20 30 GHEDRO C[N@H+](CCC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000548064163 838913626 /nfs/dbraw/zinc/91/36/26/838913626.db2.gz LHWPMGINTOWLDL-KRWDZBQOSA-N 1 0 383.414 3.921 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3CNC(=O)C3)c2)c1 ZINC000378366734 838953328 /nfs/dbraw/zinc/95/33/28/838953328.db2.gz BOTIOOCJNJSIKC-FYYLOGMGSA-N 1 0 389.499 3.628 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000610403087 839075182 /nfs/dbraw/zinc/07/51/82/839075182.db2.gz MOATWGONRFKAJN-KBWCOIMZSA-N 1 0 398.551 3.764 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCCC[NH3+])CC3)cc2)cc1 ZINC000415045181 839124057 /nfs/dbraw/zinc/12/40/57/839124057.db2.gz SUVNVFCAWVWWQL-UHFFFAOYSA-N 1 0 394.475 3.712 20 30 GHEDRO COC[C@@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCC[NH2+]1 ZINC000415061872 839148283 /nfs/dbraw/zinc/14/82/83/839148283.db2.gz LNCOIEWYPOOWTJ-QFIPXVFZSA-N 1 0 394.475 3.549 20 30 GHEDRO CC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000378453825 839152263 /nfs/dbraw/zinc/15/22/63/839152263.db2.gz OHJZRTZSFUYXEZ-QHCPKHFHSA-N 1 0 388.515 3.610 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415082334 839177545 /nfs/dbraw/zinc/17/75/45/839177545.db2.gz LOTPSHNXJBJXFB-LSDHHAIUSA-N 1 0 380.448 3.573 20 30 GHEDRO N#CC1(NC(=O)CCc2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378481329 839194569 /nfs/dbraw/zinc/19/45/69/839194569.db2.gz JLRBLERYEGPWJR-UHFFFAOYSA-N 1 0 383.442 3.572 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415121265 839241324 /nfs/dbraw/zinc/24/13/24/839241324.db2.gz JPYXHBCFSBYUIC-APWZRJJASA-N 1 0 378.476 3.647 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415127685 839253960 /nfs/dbraw/zinc/25/39/60/839253960.db2.gz SDNALTGSIGIWNO-OXQOHEQNSA-N 1 0 392.503 3.894 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+]C(C)(C)CN(C)Cc2ccccc2)c(C#N)c1C ZINC000118993783 839286888 /nfs/dbraw/zinc/28/68/88/839286888.db2.gz TTXDRZRZZNALRC-UHFFFAOYSA-N 1 0 384.549 3.675 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccccc1C#N)c1cccc(OC)c1 ZINC000024460189 839288399 /nfs/dbraw/zinc/28/83/99/839288399.db2.gz BXGINFOCEIEARO-DGXIYAMASA-N 1 0 377.488 3.779 20 30 GHEDRO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000610433413 839315598 /nfs/dbraw/zinc/31/55/98/839315598.db2.gz IXNMCFXLSMVGRA-FQEVSTJZSA-N 1 0 396.922 3.747 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549216664 839347928 /nfs/dbraw/zinc/34/79/28/839347928.db2.gz POORYGWBVGFTOY-QGZVFWFLSA-N 1 0 387.503 3.664 20 30 GHEDRO Cc1nsc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1C#N ZINC000549245600 839520491 /nfs/dbraw/zinc/52/04/91/839520491.db2.gz SUVJNIHWKTYASV-SFHVURJKSA-N 1 0 382.533 3.664 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2nc(COc3ccccc3)n[nH]2)CC1 ZINC000471578437 839581991 /nfs/dbraw/zinc/58/19/91/839581991.db2.gz QRPLSPIGAQDYDZ-UHFFFAOYSA-N 1 0 387.487 3.877 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc(C)c1F ZINC001143380166 839773211 /nfs/dbraw/zinc/77/32/11/839773211.db2.gz ZKGNOBWMCWZWFX-HSZRJFAPSA-N 1 0 377.463 3.943 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549288607 839839167 /nfs/dbraw/zinc/83/91/67/839839167.db2.gz YVCZJLYCXAOMRA-KRWDZBQOSA-N 1 0 398.511 3.598 20 30 GHEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(CC#N)cc3)CC2)cs1 ZINC000580624531 839914906 /nfs/dbraw/zinc/91/49/06/839914906.db2.gz VAZMNMHVZXLSCA-QGZVFWFLSA-N 1 0 384.549 3.624 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)ccc1OC ZINC000656270392 840000464 /nfs/dbraw/zinc/00/04/64/840000464.db2.gz BKLLGIBSNHBEPA-UHFFFAOYSA-N 1 0 383.492 3.792 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000580689804 840018497 /nfs/dbraw/zinc/01/84/97/840018497.db2.gz LYEZMXZTHCPLKS-FGCOXFRFSA-N 1 0 394.515 3.781 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000418397978 840127028 /nfs/dbraw/zinc/12/70/28/840127028.db2.gz CMEMNDMVFYDNCN-IFMALSPDSA-N 1 0 394.494 3.927 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512552948 844508647 /nfs/dbraw/zinc/50/86/47/844508647.db2.gz WLQICQLFISOXOQ-OAQYLSRUSA-N 1 0 377.492 3.519 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500597 840336181 /nfs/dbraw/zinc/33/61/81/840336181.db2.gz OTWOWXDOGLZFDY-JOCHJYFZSA-N 1 0 393.487 3.713 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508799612 844540598 /nfs/dbraw/zinc/54/05/98/844540598.db2.gz AMLKEMIYLZHICK-UHFFFAOYSA-N 1 0 397.523 3.696 20 30 GHEDRO Cn1cc(Cl)cc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000120270492 840467621 /nfs/dbraw/zinc/46/76/21/840467621.db2.gz PHQKQOSIAGVRJA-UHFFFAOYSA-N 1 0 376.913 3.561 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000500424794 840474093 /nfs/dbraw/zinc/47/40/93/840474093.db2.gz MMTRIKCEQSSAGG-OAQYLSRUSA-N 1 0 396.579 3.889 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000177860655 840481363 /nfs/dbraw/zinc/48/13/63/840481363.db2.gz RMTPUHRSQCFSBU-GFCCVEGCSA-N 1 0 390.256 3.967 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000584715966 840653735 /nfs/dbraw/zinc/65/37/35/840653735.db2.gz HQMGMUDXHTXIBG-CQSZACIVSA-N 1 0 396.434 3.572 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000584716417 840660059 /nfs/dbraw/zinc/66/00/59/840660059.db2.gz XKXAUKNAZRKPSB-HSZRJFAPSA-N 1 0 395.547 3.831 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000124024929 840662475 /nfs/dbraw/zinc/66/24/75/840662475.db2.gz GYQLRPRZIBXPTL-UHFFFAOYSA-N 1 0 397.906 3.862 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417398269 840817236 /nfs/dbraw/zinc/81/72/36/840817236.db2.gz YRQJMBOMCVUIIJ-VLIAUNLRSA-N 1 0 378.432 3.851 20 30 GHEDRO Cc1nc2ccccc2n1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000066236557 840872624 /nfs/dbraw/zinc/87/26/24/840872624.db2.gz IBDQVPBOANIHMO-UHFFFAOYSA-N 1 0 384.487 3.912 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511854561 840958732 /nfs/dbraw/zinc/95/87/32/840958732.db2.gz ILDIUFSXNOEDTH-FHLIZLRMSA-N 1 0 381.442 3.939 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000512566121 844593375 /nfs/dbraw/zinc/59/33/75/844593375.db2.gz VCRCPOOMKZMPPH-ROUUACIJSA-N 1 0 383.511 3.842 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000513144905 844608848 /nfs/dbraw/zinc/60/88/48/844608848.db2.gz OSRFVSZOOFEQSZ-HNNXBMFYSA-N 1 0 383.330 3.549 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000595589270 844610884 /nfs/dbraw/zinc/61/08/84/844610884.db2.gz WUAOGRRHQKLRIP-HSZRJFAPSA-N 1 0 376.500 3.883 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050963872 841239540 /nfs/dbraw/zinc/23/95/40/841239540.db2.gz KXXJDXFNWUVGOK-SFHVURJKSA-N 1 0 387.480 3.769 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000165624965 841240263 /nfs/dbraw/zinc/24/02/63/841240263.db2.gz IREBLMWEZCEGER-UHFFFAOYSA-N 1 0 386.503 3.522 20 30 GHEDRO C=CC[S@@](=O)(=NC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000891377191 841245272 /nfs/dbraw/zinc/24/52/72/841245272.db2.gz SXUOHINTPIDGED-MHZLTWQESA-N 1 0 383.517 3.846 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000661001371 841320811 /nfs/dbraw/zinc/32/08/11/841320811.db2.gz MYZJRGGUNBZCDU-NPDDRXJXSA-N 1 0 381.520 3.866 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000661114126 841408025 /nfs/dbraw/zinc/40/80/25/841408025.db2.gz DPFHBJCQOHVTAL-TZMCWYRMSA-N 1 0 383.418 3.766 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000661116032 841409813 /nfs/dbraw/zinc/40/98/13/841409813.db2.gz HBPPNEKIZLRVAD-BBRMVZONSA-N 1 0 376.298 3.682 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1=S ZINC000160907796 841427815 /nfs/dbraw/zinc/42/78/15/841427815.db2.gz ZQVFPNDPXITHDF-LJQANCHMSA-N 1 0 385.581 3.805 20 30 GHEDRO C[C@](Cc1ccccc1)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000599438706 861207894 /nfs/dbraw/zinc/20/78/94/861207894.db2.gz ZLATZCZOVQQBCR-DHIUTWEWSA-N 1 0 378.516 3.805 20 30 GHEDRO N#Cc1cc(Cl)cc(Br)c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000584539731 841538814 /nfs/dbraw/zinc/53/88/14/841538814.db2.gz BRLFFVBZALZEHL-HNNXBMFYSA-N 1 0 398.732 3.665 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)c1 ZINC001167467303 841580084 /nfs/dbraw/zinc/58/00/84/841580084.db2.gz GVJVGFIZJSREEU-PKOBYXMFSA-N 1 0 375.472 3.502 20 30 GHEDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000126597381 841701732 /nfs/dbraw/zinc/70/17/32/841701732.db2.gz HGJBCUBHGLKGDS-CQSZACIVSA-N 1 0 388.537 3.630 20 30 GHEDRO N#Cc1ccc(-c2noc(CC3(c4ccc(Cl)cc4)CC[NH2+]CC3)n2)nc1 ZINC001211516229 841826521 /nfs/dbraw/zinc/82/65/21/841826521.db2.gz DJSRMDWRECCUKP-UHFFFAOYSA-N 1 0 379.851 3.521 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000660385453 841911371 /nfs/dbraw/zinc/91/13/71/841911371.db2.gz ITZDLJRVKUAUPT-YHDSQAASSA-N 1 0 383.536 3.688 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000610521895 841919308 /nfs/dbraw/zinc/91/93/08/841919308.db2.gz BILOBRWCHFEGHL-KDOFPFPSSA-N 1 0 390.325 3.785 20 30 GHEDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000161820704 861253629 /nfs/dbraw/zinc/25/36/29/861253629.db2.gz YUJDKFGNRADRPV-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000131195278 861257147 /nfs/dbraw/zinc/25/71/47/861257147.db2.gz PSAIOZPQQHBPMT-UHFFFAOYSA-N 1 0 399.922 3.555 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000584689884 842035597 /nfs/dbraw/zinc/03/55/97/842035597.db2.gz KPNUPLUUQLWDSO-OXJNMPFZSA-N 1 0 390.405 3.885 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000121454963 842122863 /nfs/dbraw/zinc/12/28/63/842122863.db2.gz IJXNHSHPFJMPRK-UHFFFAOYSA-N 1 0 397.429 3.999 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)CCCC1 ZINC000661849035 842229182 /nfs/dbraw/zinc/22/91/82/842229182.db2.gz QXZMLXDRGPKFMC-INIZCTEOSA-N 1 0 395.425 3.771 20 30 GHEDRO N#Cc1cccc(Cl)c1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000581829424 842248642 /nfs/dbraw/zinc/24/86/42/842248642.db2.gz RUWONOWGHQWIQF-FQEVSTJZSA-N 1 0 380.923 3.608 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@H+](Cc1ccc(Br)cc1)C(C)(C)C ZINC000599527641 861290087 /nfs/dbraw/zinc/29/00/87/861290087.db2.gz OTYQLGSGXQKWMX-UHFFFAOYSA-N 1 0 380.330 3.812 20 30 GHEDRO COc1ccc(C2(Cc3nc(-c4cc(C#N)ccc4F)no3)CC[NH2+]CC2)cc1 ZINC001211519776 842408687 /nfs/dbraw/zinc/40/86/87/842408687.db2.gz BJNPGAYAGJPQCU-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO CCOC(=O)C1(C)CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000474887952 861316011 /nfs/dbraw/zinc/31/60/11/861316011.db2.gz RHZVXPMPYFSFPK-UHFFFAOYSA-N 1 0 385.508 3.745 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](n2ncc3ccccc32)C1)C(C)C ZINC000510488643 842563861 /nfs/dbraw/zinc/56/38/61/842563861.db2.gz IJAKWEBIKLEKTA-IRLDBZIGSA-N 1 0 395.551 3.691 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000161966022 861341742 /nfs/dbraw/zinc/34/17/42/861341742.db2.gz FNNHKFVVKTZRDS-IBGZPJMESA-N 1 0 391.515 3.845 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000510523384 842894379 /nfs/dbraw/zinc/89/43/79/842894379.db2.gz UHHSFFJSGBACAA-HXUWFJFHSA-N 1 0 380.492 3.944 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+](C)C ZINC000510528251 842907776 /nfs/dbraw/zinc/90/77/76/842907776.db2.gz WNPXXLUQPGKCAU-ZHRRBRCNSA-N 1 0 388.471 3.943 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1C ZINC000279448237 843062116 /nfs/dbraw/zinc/06/21/16/843062116.db2.gz SJAWYOFCIQLAEA-UHFFFAOYSA-N 1 0 375.476 3.808 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000512224222 843150626 /nfs/dbraw/zinc/15/06/26/843150626.db2.gz AGCYERGQNCSGBX-QFBILLFUSA-N 1 0 388.533 3.964 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+](C)C)cc1 ZINC000188784300 843245644 /nfs/dbraw/zinc/24/56/44/843245644.db2.gz OGJOQDUHNSQWAU-IBGZPJMESA-N 1 0 395.507 3.751 20 30 GHEDRO C=CC[C@]1(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)CCC[NH2+]1 ZINC000662483728 843322130 /nfs/dbraw/zinc/32/21/30/843322130.db2.gz ASSOSBBESZFKTC-HSZRJFAPSA-N 1 0 392.503 3.954 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)CCC[NH2+]1 ZINC000662514465 843379306 /nfs/dbraw/zinc/37/93/06/843379306.db2.gz KPKVEWLTVCRRHO-FQEVSTJZSA-N 1 0 377.916 3.895 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000418649260 843503014 /nfs/dbraw/zinc/50/30/14/843503014.db2.gz JAQHJVLTEXGFKY-FQEVSTJZSA-N 1 0 382.464 3.555 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCCc2ccccn2)[n+]2ccccc2)cc1 ZINC000171086799 861423892 /nfs/dbraw/zinc/42/38/92/861423892.db2.gz XAPKCUHRUJEKGX-UHFFFAOYSA-O 1 0 390.532 3.703 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000247468824 843538041 /nfs/dbraw/zinc/53/80/41/843538041.db2.gz JBQSZTDRPRUZKG-MJGOQNOKSA-N 1 0 379.508 3.695 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1F ZINC000510831642 843588874 /nfs/dbraw/zinc/58/88/74/843588874.db2.gz UYJGEHWOLZJJGF-PKOBYXMFSA-N 1 0 387.405 3.664 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000549667046 843664233 /nfs/dbraw/zinc/66/42/33/843664233.db2.gz KAHBFTSDEAFOAN-NRFANRHFSA-N 1 0 390.535 3.846 20 30 GHEDRO CS(=O)(=O)N(Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000418820410 843670708 /nfs/dbraw/zinc/67/07/08/843670708.db2.gz FMZLNVZSFKHEFA-UHFFFAOYSA-N 1 0 383.517 3.510 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000067206175 843805119 /nfs/dbraw/zinc/80/51/19/843805119.db2.gz DUHGTCFBSWYWRJ-UHFFFAOYSA-N 1 0 389.474 3.571 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC000669335437 843850297 /nfs/dbraw/zinc/85/02/97/843850297.db2.gz SRUAGHXVYLSKAP-QTEQDKRBSA-N 1 0 397.567 3.717 20 30 GHEDRO Clc1ccc(C#CCN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512462057 843879054 /nfs/dbraw/zinc/87/90/54/843879054.db2.gz HSHGLMHTABFCMP-XMMPIXPASA-N 1 0 393.962 3.584 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000500725236 843897085 /nfs/dbraw/zinc/89/70/85/843897085.db2.gz OVTIKWDPJLQDHL-GOSISDBHSA-N 1 0 397.548 3.992 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000731111224 861473154 /nfs/dbraw/zinc/47/31/54/861473154.db2.gz SRWTYCGOELXFAR-UHFFFAOYSA-N 1 0 377.488 3.747 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000237574061 843955607 /nfs/dbraw/zinc/95/56/07/843955607.db2.gz REWQLNXUDJDTKF-RHSMWYFYSA-N 1 0 394.393 3.526 20 30 GHEDRO C[C@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329466704 861480178 /nfs/dbraw/zinc/48/01/78/861480178.db2.gz VRYYQLJDTRJOON-DLBZAZTESA-N 1 0 387.524 3.679 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 ZINC000458827384 844704757 /nfs/dbraw/zinc/70/47/57/844704757.db2.gz JBBCWOBVBPHELD-UPVQGACJSA-N 1 0 390.531 3.825 20 30 GHEDRO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329472604 861496370 /nfs/dbraw/zinc/49/63/70/861496370.db2.gz AIQKFSSNUOUJIQ-WOJBJXKFSA-N 1 0 386.540 3.976 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000729266858 844819844 /nfs/dbraw/zinc/81/98/44/844819844.db2.gz PVMUZINHWYNPHI-UHFFFAOYSA-N 1 0 375.394 3.930 20 30 GHEDRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)cn1 ZINC000599696750 861503520 /nfs/dbraw/zinc/50/35/20/861503520.db2.gz GVKNMHJNIPBLFF-FQEVSTJZSA-N 1 0 384.867 3.685 20 30 GHEDRO COc1cc(OC)c(C2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)c(OC)c1 ZINC000610952777 844891848 /nfs/dbraw/zinc/89/18/48/844891848.db2.gz HPHWKSKBPOBLJX-UHFFFAOYSA-N 1 0 396.487 3.972 20 30 GHEDRO CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CCO1 ZINC000329480282 861514151 /nfs/dbraw/zinc/51/41/51/861514151.db2.gz PFGFCARBYJKSAB-DUXKGJEZSA-N 1 0 389.540 3.999 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000599678790 861518460 /nfs/dbraw/zinc/51/84/60/861518460.db2.gz MUZMEXMFHXFCFG-SFHVURJKSA-N 1 0 390.405 3.569 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433021780 844988793 /nfs/dbraw/zinc/98/87/93/844988793.db2.gz YLKJMYHVBLGMCZ-GOSISDBHSA-N 1 0 394.431 3.918 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccccc1 ZINC000433024643 844999466 /nfs/dbraw/zinc/99/94/66/844999466.db2.gz YFEIEJBRORTHIN-LJQANCHMSA-N 1 0 398.894 3.792 20 30 GHEDRO Cc1noc([C@H]2CCCCN2C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000329488416 861521064 /nfs/dbraw/zinc/52/10/64/861521064.db2.gz GZHGNMCSVANXRY-GOSISDBHSA-N 1 0 389.544 3.865 20 30 GHEDRO Cc1noc([C@@H]2CCCCN2C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000329488424 861521126 /nfs/dbraw/zinc/52/11/26/861521126.db2.gz GZHGNMCSVANXRY-SFHVURJKSA-N 1 0 389.544 3.865 20 30 GHEDRO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)OCC ZINC000535889402 845035743 /nfs/dbraw/zinc/03/57/43/845035743.db2.gz SCGUGMBNYWRRTQ-ROUUACIJSA-N 1 0 384.442 3.767 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000433042397 845047260 /nfs/dbraw/zinc/04/72/60/845047260.db2.gz XRJUDOXQBSADCN-OFNKIYASSA-N 1 0 390.531 3.654 20 30 GHEDRO C[N@H+](CCS[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)Cc1ccccc1 ZINC000433052585 845088701 /nfs/dbraw/zinc/08/87/01/845088701.db2.gz MWJSGIKXBQIZKK-OAQYLSRUSA-N 1 0 379.529 3.919 20 30 GHEDRO CCOC(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000610997281 845113463 /nfs/dbraw/zinc/11/34/63/845113463.db2.gz VBGXYYZBQGMBPK-CQSZACIVSA-N 1 0 391.899 3.594 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)cc2F)n1 ZINC000329493284 861537035 /nfs/dbraw/zinc/53/70/35/861537035.db2.gz WNVOFAMYHKZGHX-YJBOKZPZSA-N 1 0 385.487 3.732 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000151571055 845209371 /nfs/dbraw/zinc/20/93/71/845209371.db2.gz JHDKEPMHVKOKBF-LJQANCHMSA-N 1 0 378.516 3.758 20 30 GHEDRO C=C(C)[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000433882973 845530750 /nfs/dbraw/zinc/53/07/50/845530750.db2.gz CBDWIAZGPIDNGQ-LJQANCHMSA-N 1 0 380.460 3.622 20 30 GHEDRO C[N@H+](CCNC(=O)c1cccc(COc2ccccc2C#N)c1)Cc1ccccc1 ZINC000513497897 845536246 /nfs/dbraw/zinc/53/62/46/845536246.db2.gz CKOUHMBVIJJXGL-UHFFFAOYSA-N 1 0 399.494 3.999 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)c(F)c1 ZINC000512797787 845556774 /nfs/dbraw/zinc/55/67/74/845556774.db2.gz QOHKKMYXSAZHGE-UHFFFAOYSA-N 1 0 398.434 3.738 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513533479 845629439 /nfs/dbraw/zinc/62/94/39/845629439.db2.gz JVQHBPOCTPJURT-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc(F)cc(C#N)c1 ZINC000375654301 845868328 /nfs/dbraw/zinc/86/83/28/845868328.db2.gz TUVQQQRLWMSVNX-UHFFFAOYSA-N 1 0 397.469 3.895 20 30 GHEDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)c1cccc(C#N)c1 ZINC001167511894 845936090 /nfs/dbraw/zinc/93/60/90/845936090.db2.gz CQDOOXONUJTCFA-SFHVURJKSA-N 1 0 375.266 3.582 20 30 GHEDRO Cc1c(NC(=O)CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000502547524 846185321 /nfs/dbraw/zinc/18/53/21/846185321.db2.gz CNAPEKSEWQRUOB-UHFFFAOYSA-N 1 0 390.443 3.893 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)cc1F ZINC000421379984 846192098 /nfs/dbraw/zinc/19/20/98/846192098.db2.gz IYFONXJGBOXTIN-AWEZNQCLSA-N 1 0 395.247 3.540 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414517691 846226719 /nfs/dbraw/zinc/22/67/19/846226719.db2.gz RBRUCRNHXLSGBU-LJQANCHMSA-N 1 0 388.519 3.545 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000539607087 846330586 /nfs/dbraw/zinc/33/05/86/846330586.db2.gz YJXDZRNEALKNFI-WFASDCNBSA-N 1 0 393.256 3.550 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CC1CCC1)[C@H](C)CO ZINC000280244344 846335119 /nfs/dbraw/zinc/33/51/19/846335119.db2.gz BBUGYBYMFSXBKV-HZPDHXFCSA-N 1 0 375.538 3.502 20 30 GHEDRO Cc1c(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)ccc(C#N)c1C#N ZINC000421562726 846336788 /nfs/dbraw/zinc/33/67/88/846336788.db2.gz VWBFUELCQSJDKX-HUUCEWRRSA-N 1 0 378.398 3.586 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000280322122 846363529 /nfs/dbraw/zinc/36/35/29/846363529.db2.gz QMIFZDPJOHRLGP-SFHVURJKSA-N 1 0 393.409 3.758 20 30 GHEDRO N#Cc1ccc2ncc(C[N@H+](CCCOc3ccccc3)C3CCOCC3)n2c1 ZINC000551556361 846434266 /nfs/dbraw/zinc/43/42/66/846434266.db2.gz KXQANNGNUKTNOG-UHFFFAOYSA-N 1 0 390.487 3.656 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000500992684 846530535 /nfs/dbraw/zinc/53/05/35/846530535.db2.gz ONXDKOKMZQLKLQ-UHFFFAOYSA-N 1 0 376.416 3.584 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000421878928 846640837 /nfs/dbraw/zinc/64/08/37/846640837.db2.gz MPXYIGLZXKGCNG-OAHLLOKOSA-N 1 0 389.546 3.645 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502953447 846650893 /nfs/dbraw/zinc/65/08/93/846650893.db2.gz QKTVLNABYQPHOE-QGZVFWFLSA-N 1 0 378.476 3.626 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2cccc(Cl)c2)[n+]2ccccc2)cn1 ZINC000101900596 846692168 /nfs/dbraw/zinc/69/21/68/846692168.db2.gz HHJAMCURVBXMPR-UHFFFAOYSA-O 1 0 385.900 3.895 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1 ZINC000183674138 846778295 /nfs/dbraw/zinc/77/82/95/846778295.db2.gz ICWYVNHQZPNTCO-AWEZNQCLSA-N 1 0 379.489 3.793 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000422187339 846890360 /nfs/dbraw/zinc/89/03/60/846890360.db2.gz RDCCLYPCJWIOHR-MRXNPFEDSA-N 1 0 396.438 3.741 20 30 GHEDRO C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000501521986 846982566 /nfs/dbraw/zinc/98/25/66/846982566.db2.gz ZAUSFSUUNDQMAG-JKSUJKDBSA-N 1 0 381.442 3.619 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000272572849 847113756 /nfs/dbraw/zinc/11/37/56/847113756.db2.gz CRKMASCHIDZHTQ-OAQYLSRUSA-N 1 0 388.556 3.518 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000272605408 847123859 /nfs/dbraw/zinc/12/38/59/847123859.db2.gz YGUPQKOUCNPKMQ-UHFFFAOYSA-N 1 0 389.931 3.639 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000272928314 847209149 /nfs/dbraw/zinc/20/91/49/847209149.db2.gz JSHLBDDPDXYUOD-WRHNGFHOSA-N 1 0 397.544 3.638 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000329611436 861772435 /nfs/dbraw/zinc/77/24/35/861772435.db2.gz RJHBGSFMRAKNDR-ZCNNSNEGSA-N 1 0 385.556 3.693 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178590578 847405592 /nfs/dbraw/zinc/40/55/92/847405592.db2.gz AVUKLJJTJCYBCI-ROUUACIJSA-N 1 0 398.551 3.621 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H]1CCCO1 ZINC000582514525 847449324 /nfs/dbraw/zinc/44/93/24/847449324.db2.gz PXCJOOLGXCXSHS-XMMPIXPASA-N 1 0 393.531 3.680 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000502135959 847505875 /nfs/dbraw/zinc/50/58/75/847505875.db2.gz CYZZTUIKKBGZTQ-LJQANCHMSA-N 1 0 375.561 3.816 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc(OC)c1O ZINC000503271109 847539009 /nfs/dbraw/zinc/53/90/09/847539009.db2.gz VFBLKCAVOOVDCC-QGZVFWFLSA-N 1 0 392.293 3.715 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000183463459 847593421 /nfs/dbraw/zinc/59/34/21/847593421.db2.gz ZZQPWSRPZJDVBK-GGAORHGYSA-N 1 0 388.515 3.851 20 30 GHEDRO COc1cc(CN(C)C[C@H]2CCC[N@@H+]2C)ccc1OCc1cccc(C#N)c1 ZINC000420994422 847616041 /nfs/dbraw/zinc/61/60/41/847616041.db2.gz CDHXDMVBDCBEON-OAQYLSRUSA-N 1 0 379.504 3.672 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000127887356 847628799 /nfs/dbraw/zinc/62/87/99/847628799.db2.gz JHPRPKQCFGPZIC-ROUUACIJSA-N 1 0 397.544 3.513 20 30 GHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000421042405 847655412 /nfs/dbraw/zinc/65/54/12/847655412.db2.gz CFRVCISAZYFYLI-NRFANRHFSA-N 1 0 392.503 3.890 20 30 GHEDRO Cn1nc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1C1CC1 ZINC000329627594 861818189 /nfs/dbraw/zinc/81/81/89/861818189.db2.gz UIHOGZNMLWPJLC-SFHVURJKSA-N 1 0 380.492 3.590 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc(CC#N)cc2)CCOCC1)c1ccccc1 ZINC000502362513 847803474 /nfs/dbraw/zinc/80/34/74/847803474.db2.gz STMNORMTBDDAOW-GOSISDBHSA-N 1 0 392.503 3.774 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187767543 847843845 /nfs/dbraw/zinc/84/38/45/847843845.db2.gz GDKMYRPMCMTSSM-QFIPXVFZSA-N 1 0 387.527 3.960 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)cc1 ZINC000502401341 847866020 /nfs/dbraw/zinc/86/60/20/847866020.db2.gz JPILRAOCQKRASC-NRFANRHFSA-N 1 0 390.487 3.787 20 30 GHEDRO C=CC1CC[NH+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000472239952 847983766 /nfs/dbraw/zinc/98/37/66/847983766.db2.gz MWMHLVOMAXNLDZ-UHFFFAOYSA-N 1 0 380.492 3.845 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000162657181 861872723 /nfs/dbraw/zinc/87/27/23/861872723.db2.gz UVYNSXMLSUBIKE-GOTSBHOMSA-N 1 0 388.515 3.754 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000178646986 848208684 /nfs/dbraw/zinc/20/86/84/848208684.db2.gz KGMMTIDFQXEFCB-INIZCTEOSA-N 1 0 394.523 3.857 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)CC2 ZINC000582754704 848298907 /nfs/dbraw/zinc/29/89/07/848298907.db2.gz XVZASZQYFZGLEH-PBHICJAKSA-N 1 0 377.271 3.882 20 30 GHEDRO COc1cc2cccnc2c(N(c2nnc(C)c(C)c2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001167611712 848303154 /nfs/dbraw/zinc/30/31/54/848303154.db2.gz KREAPUUMYMNWGZ-AWEZNQCLSA-N 1 0 390.491 3.787 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000180035433 861916658 /nfs/dbraw/zinc/91/66/58/861916658.db2.gz QELHHVCTIVFCHP-NFBKMPQASA-N 1 0 377.532 3.926 20 30 GHEDRO CCN(CC)[C@H](C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000731906766 861951397 /nfs/dbraw/zinc/95/13/97/861951397.db2.gz AIYULSUKJMNLEX-FQEVSTJZSA-N 1 0 399.878 3.776 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431518558 848933716 /nfs/dbraw/zinc/93/37/16/848933716.db2.gz LCFLOFSTZXQBAX-IBGZPJMESA-N 1 0 378.438 3.970 20 30 GHEDRO C=CCOc1ccccc1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000731944929 861966410 /nfs/dbraw/zinc/96/64/10/861966410.db2.gz DRHOXWAXRNYGRI-UHFFFAOYSA-N 1 0 395.572 3.880 20 30 GHEDRO CCNC(=O)COc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481668328 861974907 /nfs/dbraw/zinc/97/49/07/861974907.db2.gz ICHWIFSZAKEUIQ-QFIPXVFZSA-N 1 0 377.488 3.630 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(C#N)cc2F)CC1 ZINC000178789039 849139962 /nfs/dbraw/zinc/13/99/62/849139962.db2.gz JFFLYWPMKYQYQS-MRXNPFEDSA-N 1 0 384.474 3.829 20 30 GHEDRO Cc1ccc(N2CCC(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)nc1 ZINC000178825790 849383544 /nfs/dbraw/zinc/38/35/44/849383544.db2.gz DNRMVCIZAHGADY-UHFFFAOYSA-N 1 0 378.476 3.904 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(CC#N)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000583264227 849487532 /nfs/dbraw/zinc/48/75/32/849487532.db2.gz PKZKNQDJXJBRIV-UHFFFAOYSA-N 1 0 391.374 3.603 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000155308733 849501417 /nfs/dbraw/zinc/50/14/17/849501417.db2.gz GGEGHVRSDJYMAK-INIZCTEOSA-N 1 0 380.517 3.653 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000583356818 849698561 /nfs/dbraw/zinc/69/85/61/849698561.db2.gz WRPHGHZEAUYHHX-FCHUYYIVSA-N 1 0 377.463 3.856 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCC(CCC#N)CC3)CC2)cc1 ZINC000583378318 849757076 /nfs/dbraw/zinc/75/70/76/849757076.db2.gz PAXOOMPMRPHESQ-UHFFFAOYSA-N 1 0 398.551 3.633 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CC[C@@H](C[N@@H+](C)CC)C3)c(=S)o2)cc1 ZINC000161681971 849767730 /nfs/dbraw/zinc/76/77/30/849767730.db2.gz BTZVXYCVBLVDEN-INIZCTEOSA-N 1 0 388.537 3.668 20 30 GHEDRO Cc1oc(NC(=O)CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000151178694 849770951 /nfs/dbraw/zinc/77/09/51/849770951.db2.gz CWTMXABXULLXLA-MRXNPFEDSA-N 1 0 386.540 3.683 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000504071381 849878751 /nfs/dbraw/zinc/87/87/51/849878751.db2.gz MTKFWGJHZWBHGY-HSZRJFAPSA-N 1 0 391.515 3.656 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000504088130 849891555 /nfs/dbraw/zinc/89/15/55/849891555.db2.gz YVNIASCNIFKHPV-GOSISDBHSA-N 1 0 393.531 3.989 20 30 GHEDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434987377 849973569 /nfs/dbraw/zinc/97/35/69/849973569.db2.gz UFDCOGHVKBYWBL-QFIPXVFZSA-N 1 0 389.503 3.548 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1nc(C(F)(F)F)cs1)C(C)C ZINC000514542902 849987103 /nfs/dbraw/zinc/98/71/03/849987103.db2.gz UBPPCUXIGQWFCC-LBPRGKRZSA-N 1 0 376.448 3.982 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000514588550 850029426 /nfs/dbraw/zinc/02/94/26/850029426.db2.gz LYDSPOFWHOLYAZ-HXUWFJFHSA-N 1 0 390.487 3.804 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000504421169 850066254 /nfs/dbraw/zinc/06/62/54/850066254.db2.gz DUEPELGTXABLPJ-UWJYYQICSA-N 1 0 379.504 3.551 20 30 GHEDRO COc1ccc(CC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000504490003 850097022 /nfs/dbraw/zinc/09/70/22/850097022.db2.gz RVNDNPTUMWZBFJ-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO CCOc1ccccc1C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435125688 850106618 /nfs/dbraw/zinc/10/66/18/850106618.db2.gz GIWPMGZALFTTNX-UHFFFAOYSA-N 1 0 375.476 3.889 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469448469 850117421 /nfs/dbraw/zinc/11/74/21/850117421.db2.gz POJFQSVDRSTOJO-YCRPNKLZSA-N 1 0 377.479 3.662 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000504553833 850144364 /nfs/dbraw/zinc/14/43/64/850144364.db2.gz QLXYDAIHYXVOSR-UHFFFAOYSA-N 1 0 377.463 3.510 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1F ZINC000486843803 850152218 /nfs/dbraw/zinc/15/22/18/850152218.db2.gz SFNNATCANHKOFN-XMSQKQJNSA-N 1 0 389.434 3.696 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000505624602 850192612 /nfs/dbraw/zinc/19/26/12/850192612.db2.gz XOLJSBCVAHKFLK-NQIIRXRSSA-N 1 0 391.515 3.523 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)C1 ZINC000732136246 862101537 /nfs/dbraw/zinc/10/15/37/862101537.db2.gz OHOHDJUUBDJYLK-KRWDZBQOSA-N 1 0 382.508 3.881 20 30 GHEDRO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424113211 850226068 /nfs/dbraw/zinc/22/60/68/850226068.db2.gz MKZQMRPUOMTAFF-AVRDEDQJSA-N 1 0 379.504 3.642 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000424113505 850226294 /nfs/dbraw/zinc/22/62/94/850226294.db2.gz NQXGSVFMPRWSOH-GOSISDBHSA-N 1 0 391.519 3.843 20 30 GHEDRO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424113785 850227252 /nfs/dbraw/zinc/22/72/52/850227252.db2.gz OQIXMFXZODZVRE-GHTZIAJQSA-N 1 0 379.504 3.676 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000908676342 850280449 /nfs/dbraw/zinc/28/04/49/850280449.db2.gz AYQIISNWNKQETA-UYAOXDASSA-N 1 0 381.524 3.589 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000908676341 850280625 /nfs/dbraw/zinc/28/06/25/850280625.db2.gz AYQIISNWNKQETA-QUCCMNQESA-N 1 0 381.524 3.589 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424221310 850295839 /nfs/dbraw/zinc/29/58/39/850295839.db2.gz KKSYOGJTXGJCMT-LEWJYISDSA-N 1 0 377.536 3.517 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000514798726 850303209 /nfs/dbraw/zinc/30/32/09/850303209.db2.gz NPIXHQRKSZCMDJ-QGZVFWFLSA-N 1 0 384.911 3.759 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000505655981 850325462 /nfs/dbraw/zinc/32/54/62/850325462.db2.gz DBISJHLLOIABED-IBGZPJMESA-N 1 0 380.492 3.640 20 30 GHEDRO CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000518960714 850404452 /nfs/dbraw/zinc/40/44/52/850404452.db2.gz AJHKOEIQLZZDNC-JOCHJYFZSA-N 1 0 375.472 3.711 20 30 GHEDRO CC[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)Oc1cccc(C(F)(F)F)c1 ZINC000514938469 850509613 /nfs/dbraw/zinc/50/96/13/850509613.db2.gz JAGMCKNKKLPBFW-INIZCTEOSA-N 1 0 389.381 3.567 20 30 GHEDRO C=CCC1(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCOCC1 ZINC000424550577 850523077 /nfs/dbraw/zinc/52/30/77/850523077.db2.gz YIWPBAKTNZADTK-OAQYLSRUSA-N 1 0 386.536 3.711 20 30 GHEDRO N#CCCn1cc(CN2CCOc3ccc(F)cc3C2)c(-c2ccccc2)n1 ZINC000426516252 850523349 /nfs/dbraw/zinc/52/33/49/850523349.db2.gz VBFNURLFCKBOFM-UHFFFAOYSA-N 1 0 376.435 3.997 20 30 GHEDRO C[NH+](C)CCN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)C1CCCC1 ZINC000129251034 850532154 /nfs/dbraw/zinc/53/21/54/850532154.db2.gz CKMHLCGMIAVLBM-UHFFFAOYSA-N 1 0 398.551 3.764 20 30 GHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN(C)CC[C@@H](C)O)sc2C1 ZINC000426519953 850538279 /nfs/dbraw/zinc/53/82/79/850538279.db2.gz DCADIOSQBOMFEG-HUUCEWRRSA-N 1 0 391.581 3.802 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1Cl ZINC000018015908 850641983 /nfs/dbraw/zinc/64/19/83/850641983.db2.gz WXUMLJIWANQFFP-FQEVSTJZSA-N 1 0 385.895 3.790 20 30 GHEDRO C=CCC1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000424749386 850662456 /nfs/dbraw/zinc/66/24/56/850662456.db2.gz QPSILLDCMHSEKK-UHFFFAOYSA-N 1 0 382.548 3.874 20 30 GHEDRO C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000424737864 850673175 /nfs/dbraw/zinc/67/31/75/850673175.db2.gz OHXKJIJMEBWEON-FGZHOGPDSA-N 1 0 382.548 3.872 20 30 GHEDRO CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000519156846 850682409 /nfs/dbraw/zinc/68/24/09/850682409.db2.gz TVXDCHHEDGAVNY-UHFFFAOYSA-N 1 0 384.281 3.774 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000435735845 850822451 /nfs/dbraw/zinc/82/24/51/850822451.db2.gz QUTFCQMJSXGHQF-MAUKXSAKSA-N 1 0 376.298 3.706 20 30 GHEDRO CC(C)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000515313906 850906124 /nfs/dbraw/zinc/90/61/24/850906124.db2.gz HKWDEUAASYUHSZ-UHFFFAOYSA-N 1 0 396.434 3.876 20 30 GHEDRO COC(=O)[C@@H](CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000425439935 851087399 /nfs/dbraw/zinc/08/73/99/851087399.db2.gz BBHPQLRKUDRZMM-FQEVSTJZSA-N 1 0 396.462 3.887 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000440383133 851107917 /nfs/dbraw/zinc/10/79/17/851107917.db2.gz UMHJGLFEYILJAQ-ILBGXUMGSA-N 1 0 387.527 3.743 20 30 GHEDRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1C ZINC000329719241 862214499 /nfs/dbraw/zinc/21/44/99/862214499.db2.gz ABSKJJJAJJCJTA-IBGZPJMESA-N 1 0 392.503 3.942 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000509613478 851217896 /nfs/dbraw/zinc/21/78/96/851217896.db2.gz MEQGFELDBWGUPE-YLJYHZDGSA-N 1 0 380.492 3.978 20 30 GHEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000604483244 862225545 /nfs/dbraw/zinc/22/55/45/862225545.db2.gz IUMORUZNMCLBOO-GOSISDBHSA-N 1 0 388.515 3.802 20 30 GHEDRO CC[N@H+](Cc1cccc(Br)c1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488276334 851357577 /nfs/dbraw/zinc/35/75/77/851357577.db2.gz AVFXSQNDKUOZDP-KBXCAEBGSA-N 1 0 380.330 3.714 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000119841559 851480428 /nfs/dbraw/zinc/48/04/28/851480428.db2.gz ITOYIPXTJPFMHX-UHFFFAOYSA-N 1 0 398.551 3.844 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000488436907 851501944 /nfs/dbraw/zinc/50/19/44/851501944.db2.gz BTGAFAOTQVSIAR-LJQANCHMSA-N 1 0 375.561 3.672 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000604493178 862253266 /nfs/dbraw/zinc/25/32/66/862253266.db2.gz OICQEFIMJANVBU-HSZRJFAPSA-N 1 0 390.483 3.600 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CSc3ccccc32)c(OC)c1 ZINC000515833682 851539004 /nfs/dbraw/zinc/53/90/04/851539004.db2.gz MASVWYPFDQMRBB-ROUUACIJSA-N 1 0 385.529 3.643 20 30 GHEDRO COc1cc(NC(=O)CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000425533831 851552196 /nfs/dbraw/zinc/55/21/96/851552196.db2.gz LIZRDZDBIFLIQG-OAHLLOKOSA-N 1 0 397.475 3.606 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]CC(C)(C)CCC#N)o2)CC1 ZINC000894514317 851569267 /nfs/dbraw/zinc/56/92/67/851569267.db2.gz YANALIYVMUNREO-UHFFFAOYSA-N 1 0 390.528 3.756 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604500744 862259625 /nfs/dbraw/zinc/25/96/25/862259625.db2.gz OAZPRODHVNAVCS-JOCHJYFZSA-N 1 0 377.488 3.522 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c(F)cc(OCC)cc1F)CC2 ZINC001143570624 851632635 /nfs/dbraw/zinc/63/26/35/851632635.db2.gz GWIRMMVDDCMXAW-OAQYLSRUSA-N 1 0 378.463 3.897 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000604564164 862280084 /nfs/dbraw/zinc/28/00/84/862280084.db2.gz HOOUFZKVSJFTFU-LJQANCHMSA-N 1 0 391.515 3.874 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]Cc3ccccc3COCc3ccccc3)cnc12 ZINC000550157224 851760597 /nfs/dbraw/zinc/76/05/97/851760597.db2.gz VQMJSWHBAZUODK-UHFFFAOYSA-N 1 0 383.455 3.608 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000550159559 851763222 /nfs/dbraw/zinc/76/32/22/851763222.db2.gz RXZVZGJPMNGNPO-QGZVFWFLSA-N 1 0 392.341 3.608 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000437997939 851934430 /nfs/dbraw/zinc/93/44/30/851934430.db2.gz MMSBMPGAIMSIFK-YADHBBJMSA-N 1 0 397.563 3.665 20 30 GHEDRO COc1cccc([C@@H](O)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000111394045 852113167 /nfs/dbraw/zinc/11/31/67/852113167.db2.gz AZDHHNCIRMZRGG-DEOSSOPVSA-N 1 0 388.467 3.969 20 30 GHEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000516119156 852167086 /nfs/dbraw/zinc/16/70/86/852167086.db2.gz LYJWWXXYYAZECP-SFHVURJKSA-N 1 0 383.565 3.738 20 30 GHEDRO CCc1c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnn1-c1ccccc1 ZINC000329802520 862330685 /nfs/dbraw/zinc/33/06/85/862330685.db2.gz KKZOYFSBFXCOEM-VGOFRKELSA-N 1 0 393.535 3.929 20 30 GHEDRO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000329803601 862331917 /nfs/dbraw/zinc/33/19/17/862331917.db2.gz LIKVWLIDCFDYFJ-OWCLPIDISA-N 1 0 378.542 3.873 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O)c1ccc(C#N)cc1 ZINC000517675253 852228972 /nfs/dbraw/zinc/22/89/72/852228972.db2.gz IMHMPNBCPKGFFC-SLFFLAALSA-N 1 0 399.535 3.566 20 30 GHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NCCc1c(F)cccc1F ZINC000329807539 862334720 /nfs/dbraw/zinc/33/47/20/862334720.db2.gz LRMSLFAFQKPDSI-DBVUQKKJSA-N 1 0 380.479 3.869 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489355332 852264132 /nfs/dbraw/zinc/26/41/32/852264132.db2.gz FJLJNZKACVZUQU-SFHVURJKSA-N 1 0 393.487 3.829 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@H]1CCCCC12CCCC2 ZINC000329815785 862341581 /nfs/dbraw/zinc/34/15/81/862341581.db2.gz OBDRWEYSSFVKEJ-AABGKKOBSA-N 1 0 377.573 3.761 20 30 GHEDRO C[C@H]1CCc2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)sc2C1 ZINC000506246557 852459422 /nfs/dbraw/zinc/45/94/22/852459422.db2.gz HAJKLBPZNWJHBU-KRWDZBQOSA-N 1 0 380.561 3.847 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029080914 852493603 /nfs/dbraw/zinc/49/36/03/852493603.db2.gz KCPDLXMSOQYTOV-IBGZPJMESA-N 1 0 391.515 3.874 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000329844577 862367924 /nfs/dbraw/zinc/36/79/24/862367924.db2.gz OJSZAMAEBNPXPN-PMAMDCHESA-N 1 0 399.579 3.684 20 30 GHEDRO C=CCC[C@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccccc1 ZINC000489739717 852562523 /nfs/dbraw/zinc/56/25/23/852562523.db2.gz PGLJDQGATWPGOT-RTWAWAEBSA-N 1 0 378.520 3.910 20 30 GHEDRO C=CCC(C)(C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000505923216 852613774 /nfs/dbraw/zinc/61/37/74/852613774.db2.gz RFIFSFYJYIHFFQ-UHFFFAOYSA-N 1 0 394.357 3.737 20 30 GHEDRO C[C@@H](CCCC(F)(F)F)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000426084932 852631496 /nfs/dbraw/zinc/63/14/96/852631496.db2.gz KRYHXQWEMUVRCQ-HNNXBMFYSA-N 1 0 384.446 3.753 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000489934434 852655459 /nfs/dbraw/zinc/65/54/59/852655459.db2.gz NIMSYKKJKKABJM-SNVBAGLBSA-N 1 0 391.331 3.535 20 30 GHEDRO C[C@H]1CCCN(C(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000438729532 852767842 /nfs/dbraw/zinc/76/78/42/852767842.db2.gz BHAPLRWMTUBOSW-SFHVURJKSA-N 1 0 379.479 3.958 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC000669034087 852777521 /nfs/dbraw/zinc/77/75/21/852777521.db2.gz HXPAAOYBKFUNET-HPBQKALYSA-N 1 0 393.535 3.540 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000505982243 852786539 /nfs/dbraw/zinc/78/65/39/852786539.db2.gz OWPAPJGVSKMXBO-LJQANCHMSA-N 1 0 385.508 3.541 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507337403 852804201 /nfs/dbraw/zinc/80/42/01/852804201.db2.gz BWQQCHQOPHSFNW-GOSISDBHSA-N 1 0 398.551 3.622 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c(OC)c1 ZINC000506366103 852863587 /nfs/dbraw/zinc/86/35/87/852863587.db2.gz YJJLRMNELBCOKN-LJQANCHMSA-N 1 0 398.503 3.657 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+](C)C)cc1 ZINC000506021147 852979337 /nfs/dbraw/zinc/97/93/37/852979337.db2.gz HEMGVFGVHYFRSP-OAQYLSRUSA-N 1 0 381.495 3.956 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+](C)C)cc1 ZINC000506021146 852979595 /nfs/dbraw/zinc/97/95/95/852979595.db2.gz HEMGVFGVHYFRSP-NRFANRHFSA-N 1 0 381.495 3.956 20 30 GHEDRO COc1ccc(-c2cc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)on2)cc1 ZINC000913029424 852984960 /nfs/dbraw/zinc/98/49/60/852984960.db2.gz KNQUBDYQDXIKKN-UHFFFAOYSA-N 1 0 393.443 3.738 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000760020470 853110538 /nfs/dbraw/zinc/11/05/38/853110538.db2.gz WGPQDEBULYADTP-RXVVDRJESA-N 1 0 381.545 3.857 20 30 GHEDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCSC3(CCOCC3)C2)cc1Cl ZINC000329931939 862433943 /nfs/dbraw/zinc/43/39/43/862433943.db2.gz PGWHFCASODNTMR-UHFFFAOYSA-N 1 0 397.928 3.799 20 30 GHEDRO Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@@](C)(c3ccccc3)C2)n1C ZINC000261967910 853182264 /nfs/dbraw/zinc/18/22/64/853182264.db2.gz LXYZDXVATDATOO-HSZRJFAPSA-N 1 0 394.567 3.565 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2C2(O)CC2)sc2c1CCCCC2 ZINC000516955923 853199412 /nfs/dbraw/zinc/19/94/12/853199412.db2.gz QCJPZDDQSLRQOM-GOSISDBHSA-N 1 0 387.549 3.597 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1)C[C@@H]1CCCCO1 ZINC000490710327 853206549 /nfs/dbraw/zinc/20/65/49/853206549.db2.gz QODBTWCMMABJPN-NRFANRHFSA-N 1 0 380.492 3.918 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000329942247 862443573 /nfs/dbraw/zinc/44/35/73/862443573.db2.gz HCNCNKROIMKZHD-UHFFFAOYSA-N 1 0 385.489 3.718 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000437631716 853339146 /nfs/dbraw/zinc/33/91/46/853339146.db2.gz SHTXGNISMJLQQJ-YADHBBJMSA-N 1 0 385.552 3.699 20 30 GHEDRO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000329962838 862462299 /nfs/dbraw/zinc/46/22/99/862462299.db2.gz PNMXHWHJBFNRIK-QGZVFWFLSA-N 1 0 382.508 3.781 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000329968928 862467277 /nfs/dbraw/zinc/46/72/77/862467277.db2.gz WYUZHJDCTNSUPS-GUDVDZBRSA-N 1 0 386.540 3.870 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(COCc3ccccc3)c2)CC1 ZINC000518522722 853470928 /nfs/dbraw/zinc/47/09/28/853470928.db2.gz PYTYIZSLEPWMHE-UHFFFAOYSA-N 1 0 393.531 3.853 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000518577853 853526351 /nfs/dbraw/zinc/52/63/51/853526351.db2.gz GAOLVMVJHXSURN-SFHVURJKSA-N 1 0 383.536 3.768 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000517232527 853540734 /nfs/dbraw/zinc/54/07/34/853540734.db2.gz BEJPUOGCKPPJLE-LJQANCHMSA-N 1 0 395.478 3.624 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000506134524 853546322 /nfs/dbraw/zinc/54/63/22/853546322.db2.gz CDAARSKUVMKWSN-MRXNPFEDSA-N 1 0 385.393 3.999 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000586793794 853552409 /nfs/dbraw/zinc/55/24/09/853552409.db2.gz RHJZKRYWBLEPPV-NVPAJSRCSA-N 1 0 378.432 3.841 20 30 GHEDRO C[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(O)c1 ZINC000329983492 862477480 /nfs/dbraw/zinc/47/74/80/862477480.db2.gz PQHGRHIBVXWHOU-UWTIGNOOSA-N 1 0 385.430 3.762 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC[N@@H+]1C ZINC000329985118 862479377 /nfs/dbraw/zinc/47/93/77/862479377.db2.gz QWSLCTARJJANLT-WFASDCNBSA-N 1 0 387.459 3.713 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](CC(=O)OC)c2ccc(OC)cc2)c(O)c1 ZINC000732769285 862483357 /nfs/dbraw/zinc/48/33/57/862483357.db2.gz FTMJDQZGHRRXLO-VRMLFSPKSA-N 1 0 384.476 3.970 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1cccc(CO)c1 ZINC000055013019 853629015 /nfs/dbraw/zinc/62/90/15/853629015.db2.gz NTEQYCTUWYWSPQ-UHFFFAOYSA-O 1 0 399.580 3.993 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(C#N)cc2Cl)[C@@H]1c1cnn(C)c1 ZINC000439445222 853663634 /nfs/dbraw/zinc/66/36/34/853663634.db2.gz WGWYFAVYPXIMMN-GHTZIAJQSA-N 1 0 385.943 3.850 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000518733369 853708166 /nfs/dbraw/zinc/70/81/66/853708166.db2.gz QLBSXSLZGCPGRO-AWEZNQCLSA-N 1 0 397.441 3.507 20 30 GHEDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000439484372 853711044 /nfs/dbraw/zinc/71/10/44/853711044.db2.gz OFHNJHCHXIERTA-OAHLLOKOSA-N 1 0 391.500 3.755 20 30 GHEDRO Cc1oc(NC(=O)C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c(C#N)c1C ZINC000156367751 853715325 /nfs/dbraw/zinc/71/53/25/853715325.db2.gz NYMQFIRYRMRGJU-LJQANCHMSA-N 1 0 387.455 3.537 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000437989372 853727072 /nfs/dbraw/zinc/72/70/72/853727072.db2.gz SXUKXUGKIBJTBV-FXAWDEMLSA-N 1 0 391.943 3.585 20 30 GHEDRO Cc1cc(C)cc(OCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000044775905 853839082 /nfs/dbraw/zinc/83/90/82/853839082.db2.gz CDCWKSJZGVWDOF-UHFFFAOYSA-N 1 0 391.515 3.679 20 30 GHEDRO C[C@H](N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)cc1Cl ZINC000571477924 853889548 /nfs/dbraw/zinc/88/95/48/853889548.db2.gz VTAVGVOZZBQHTK-JTSKRJEESA-N 1 0 382.939 3.851 20 30 GHEDRO COc1ccc(S[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000055388330 853902329 /nfs/dbraw/zinc/90/23/29/853902329.db2.gz JVPPMNOFSKBYOS-KRWDZBQOSA-N 1 0 397.544 3.638 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000520169292 853912519 /nfs/dbraw/zinc/91/25/19/853912519.db2.gz ISAYDYCFZOTNHM-XMMPIXPASA-N 1 0 381.479 3.822 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481905798 862523199 /nfs/dbraw/zinc/52/31/99/862523199.db2.gz PVNBMAYZWHXLPI-RPWUZVMVSA-N 1 0 387.527 3.734 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481905795 862523221 /nfs/dbraw/zinc/52/32/21/862523221.db2.gz PVNBMAYZWHXLPI-BJKOFHAPSA-N 1 0 387.527 3.734 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441254737 854038428 /nfs/dbraw/zinc/03/84/28/854038428.db2.gz FXODGFCGDCXNMI-DNVCBOLYSA-N 1 0 392.425 3.744 20 30 GHEDRO C=CCCC(C)(C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000664966818 854068047 /nfs/dbraw/zinc/06/80/47/854068047.db2.gz CZQAXLVSLSUTOK-OAQYLSRUSA-N 1 0 399.579 3.959 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000157457968 854118459 /nfs/dbraw/zinc/11/84/59/854118459.db2.gz DKYFOAOACANSQS-FXAWDEMLSA-N 1 0 382.508 3.826 20 30 GHEDRO N#Cc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000520404213 854173370 /nfs/dbraw/zinc/17/33/70/854173370.db2.gz VQNLIZKBOBXDGS-UHFFFAOYSA-N 1 0 383.883 3.640 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000520421452 854191413 /nfs/dbraw/zinc/19/14/13/854191413.db2.gz XKNRWHCXCUTYOP-BJLQDIEVSA-N 1 0 399.535 3.590 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000588216039 854219809 /nfs/dbraw/zinc/21/98/09/854219809.db2.gz RTPMFQAJFVYFBT-OYHNWAKOSA-N 1 0 384.499 3.929 20 30 GHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000588231635 854224821 /nfs/dbraw/zinc/22/48/21/854224821.db2.gz BFBDCISURSANMO-INIZCTEOSA-N 1 0 389.521 3.739 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588235552 854226661 /nfs/dbraw/zinc/22/66/61/854226661.db2.gz HYDCECSJXBNFNV-VQIMIIECSA-N 1 0 391.475 3.836 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[NH+](C)C ZINC000588665595 854316337 /nfs/dbraw/zinc/31/63/37/854316337.db2.gz JGHBWAIDZWZBRH-USCONSEESA-N 1 0 376.504 3.845 20 30 GHEDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@@H]1CCCc2c[nH]nc21 ZINC000330081757 862559931 /nfs/dbraw/zinc/55/99/31/862559931.db2.gz PTDZJRSGSSOLKF-HXUWFJFHSA-N 1 0 381.524 3.867 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1COc3ccccc3O1)c1ccccc1O2 ZINC000328811913 854544958 /nfs/dbraw/zinc/54/49/58/854544958.db2.gz BBJDQLDUOCRQLR-LAUBAEHRSA-N 1 0 394.471 3.771 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000330102571 862577170 /nfs/dbraw/zinc/57/71/70/862577170.db2.gz ILAVIVJLYGAKLD-MXWWQKGMSA-N 1 0 375.900 3.666 20 30 GHEDRO C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)N1CCCCC1=O ZINC000328788441 854557294 /nfs/dbraw/zinc/55/72/94/854557294.db2.gz XRZXYYYWXPPWRH-KKLQWCBXSA-N 1 0 383.536 3.646 20 30 GHEDRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000328792645 854558882 /nfs/dbraw/zinc/55/88/82/854558882.db2.gz RMIQGLLIUQZDCN-MAUKXSAKSA-N 1 0 389.565 3.965 20 30 GHEDRO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000328986476 854641307 /nfs/dbraw/zinc/64/13/07/854641307.db2.gz ZYOFPSOLUMBWDA-TZIWHRDSSA-N 1 0 396.535 3.681 20 30 GHEDRO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000328991875 854644340 /nfs/dbraw/zinc/64/43/40/854644340.db2.gz SOXCSIZYHHGSFL-QRQLOZEOSA-N 1 0 381.524 3.961 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)C[C@H]1C ZINC000330126844 862597403 /nfs/dbraw/zinc/59/74/03/862597403.db2.gz MOCQADNDYFFJRJ-NJAFHUGGSA-N 1 0 393.503 3.734 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2cccc(C(F)F)c2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000330851127 854766269 /nfs/dbraw/zinc/76/62/69/854766269.db2.gz NKZNQXIBVRMZLY-VXGBXAGGSA-N 1 0 375.847 3.600 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000331272299 854828574 /nfs/dbraw/zinc/82/85/74/854828574.db2.gz OCINVLVGNGFVGA-UHFFFAOYSA-N 1 0 384.274 3.782 20 30 GHEDRO COc1cc(F)c([C@H](C)NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC000331297242 854840141 /nfs/dbraw/zinc/84/01/41/854840141.db2.gz APABWEAABJRZJP-SCLBCKFNSA-N 1 0 381.492 3.528 20 30 GHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000330169834 862630810 /nfs/dbraw/zinc/63/08/10/862630810.db2.gz BOURBSCAJPZDSI-HNNXBMFYSA-N 1 0 392.569 3.921 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC2(CCCC2)CC1 ZINC000669334715 855028311 /nfs/dbraw/zinc/02/83/11/855028311.db2.gz DIKRSKNRBSPPOS-UXHICEINSA-N 1 0 399.583 3.941 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000056796616 855052855 /nfs/dbraw/zinc/05/28/55/855052855.db2.gz KFQMCKZTQRHKKZ-OAQYLSRUSA-N 1 0 379.504 3.667 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000589643736 855087309 /nfs/dbraw/zinc/08/73/09/855087309.db2.gz CLKMWJNONWJPLI-PXNSSMCTSA-N 1 0 378.524 3.559 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000671871821 855094363 /nfs/dbraw/zinc/09/43/63/855094363.db2.gz JZRDOOZBQPKGCG-XMMPIXPASA-N 1 0 376.500 3.990 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000031654870 862645619 /nfs/dbraw/zinc/64/56/19/862645619.db2.gz IPWLSSBOFNBDAR-INIZCTEOSA-N 1 0 380.492 3.819 20 30 GHEDRO CC[C@@](C)(O)C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000189724916 855185466 /nfs/dbraw/zinc/18/54/66/855185466.db2.gz YUDIQTACFIRCJX-JOCHJYFZSA-N 1 0 397.544 3.904 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)COc2ccccc2C#N)c2cccs2)CC1 ZINC000027573652 855209005 /nfs/dbraw/zinc/20/90/05/855209005.db2.gz RKPHEISEAFDTNE-SFHVURJKSA-N 1 0 383.517 3.588 20 30 GHEDRO Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000330197074 862654497 /nfs/dbraw/zinc/65/44/97/862654497.db2.gz RHPPJTXAXIDRNO-HKBOAZHASA-N 1 0 382.508 3.799 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000330199423 862655872 /nfs/dbraw/zinc/65/58/72/862655872.db2.gz VKNMRPYNKRHZHC-HNNXBMFYSA-N 1 0 397.972 3.928 20 30 GHEDRO Cc1nc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)sc1SCC#N ZINC000057173111 855255529 /nfs/dbraw/zinc/25/55/29/855255529.db2.gz QLCWDYPGIILYSB-UHFFFAOYSA-N 1 0 386.546 3.918 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000441491607 855364979 /nfs/dbraw/zinc/36/49/79/855364979.db2.gz YJMWLOQPPRVWAJ-XFQXTVEOSA-N 1 0 386.540 3.605 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cccc(C#N)n1 ZINC000590453250 855428433 /nfs/dbraw/zinc/42/84/33/855428433.db2.gz CSYARNTUCWSAGZ-JOCHJYFZSA-N 1 0 390.531 3.759 20 30 GHEDRO N#CCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000590507480 855440599 /nfs/dbraw/zinc/44/05/99/855440599.db2.gz QFZNWDKWAGPLRX-OAQYLSRUSA-N 1 0 383.536 3.505 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc(Br)cc1C#N ZINC000590692264 855550213 /nfs/dbraw/zinc/55/02/13/855550213.db2.gz AHCLYXMWGZMWPN-HNNXBMFYSA-N 1 0 385.309 3.817 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000330249382 862692514 /nfs/dbraw/zinc/69/25/14/862692514.db2.gz GPAJMWARFGTKNR-OALUTQOASA-N 1 0 375.561 3.712 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ncc(-c2ccccc2)n1C ZINC000590777746 855580372 /nfs/dbraw/zinc/58/03/72/855580372.db2.gz MQXCQAPEPHDPPM-QGZVFWFLSA-N 1 0 386.503 3.673 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000330252417 862696002 /nfs/dbraw/zinc/69/60/02/862696002.db2.gz ABEMCPQBBJIUOQ-ROUUACIJSA-N 1 0 375.561 3.855 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000590803637 855596535 /nfs/dbraw/zinc/59/65/35/855596535.db2.gz FVWZUNYSKGOQER-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330259344 862701159 /nfs/dbraw/zinc/70/11/59/862701159.db2.gz NHPXMRVHGVHUIC-HNAYVOBHSA-N 1 0 389.540 3.701 20 30 GHEDRO CN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000590939700 855664731 /nfs/dbraw/zinc/66/47/31/855664731.db2.gz LASMXPARFNXONQ-SFHVURJKSA-N 1 0 394.441 3.604 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000590939640 855664856 /nfs/dbraw/zinc/66/48/56/855664856.db2.gz JPVOPUHCCUGFJE-SFTDATJTSA-N 1 0 394.544 3.870 20 30 GHEDRO C[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@H+](C)Cc1ccccc1 ZINC000301408308 855690103 /nfs/dbraw/zinc/69/01/03/855690103.db2.gz WKACDECZIHPIEJ-HNNXBMFYSA-N 1 0 375.432 3.947 20 30 GHEDRO C[C@]1(CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000330277797 862714842 /nfs/dbraw/zinc/71/48/42/862714842.db2.gz OULRJDITDZAETB-DENIHFKCSA-N 1 0 381.524 3.558 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](C3CCC3)C2)c1C#N ZINC000591061918 855762088 /nfs/dbraw/zinc/76/20/88/855762088.db2.gz NZMMZXXCOIGQEL-SFHVURJKSA-N 1 0 380.492 3.678 20 30 GHEDRO CCc1nnc(N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c(C#N)c1CC ZINC000301879686 855774568 /nfs/dbraw/zinc/77/45/68/855774568.db2.gz JSNJKNXNIHJTSX-WOJBJXKFSA-N 1 0 399.926 3.610 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301885842 855776234 /nfs/dbraw/zinc/77/62/34/855776234.db2.gz PNMGLBYSKWQRNM-OALUTQOASA-N 1 0 392.890 3.807 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc1 ZINC000237202764 855777039 /nfs/dbraw/zinc/77/70/39/855777039.db2.gz VYUPNRCSLSJJRA-UHFFFAOYSA-N 1 0 379.504 3.875 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000507784089 855784422 /nfs/dbraw/zinc/78/44/22/855784422.db2.gz IYHOTVOPWPLGOZ-LJQANCHMSA-N 1 0 378.476 3.741 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000302105363 855817309 /nfs/dbraw/zinc/81/73/09/855817309.db2.gz NEWBRODRLRLKGF-QHCPKHFHSA-N 1 0 376.504 3.552 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000302150211 855822173 /nfs/dbraw/zinc/82/21/73/855822173.db2.gz BBUIRTZGMCSKIE-GASCZTMLSA-N 1 0 381.442 3.903 20 30 GHEDRO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCC(c3ccncc3)CC1)C2 ZINC000330287881 862724328 /nfs/dbraw/zinc/72/43/28/862724328.db2.gz BJHKPHUHCQXTRH-GOSISDBHSA-N 1 0 381.524 3.684 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108388179 855856524 /nfs/dbraw/zinc/85/65/24/855856524.db2.gz WHLWARDXFVKYGF-IBGZPJMESA-N 1 0 387.480 3.533 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2CN2CCOCC2)ccc1OC ZINC000057959738 855878118 /nfs/dbraw/zinc/87/81/18/855878118.db2.gz IGUUWGXCEMIYQQ-UHFFFAOYSA-N 1 0 396.531 3.772 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC000591287881 855884808 /nfs/dbraw/zinc/88/48/08/855884808.db2.gz XPWVOTUMCUNABN-LSDHHAIUSA-N 1 0 380.414 3.821 20 30 GHEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000591308981 855902945 /nfs/dbraw/zinc/90/29/45/855902945.db2.gz KYASMVKRUKKRAP-RDJZCZTQSA-N 1 0 384.480 3.873 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000302805383 855940635 /nfs/dbraw/zinc/94/06/35/855940635.db2.gz MFQKJEDWHWKGAQ-IRXDYDNUSA-N 1 0 381.476 3.690 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000591356167 855949870 /nfs/dbraw/zinc/94/98/70/855949870.db2.gz DCNFNTWWWTTYKX-YADHBBJMSA-N 1 0 388.515 3.756 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1F ZINC000591376127 855956983 /nfs/dbraw/zinc/95/69/83/855956983.db2.gz CDDOZJMYWUSABL-KRWDZBQOSA-N 1 0 377.341 3.611 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000542815179 855984530 /nfs/dbraw/zinc/98/45/30/855984530.db2.gz OROYYQZJSNFIQV-RTBURBONSA-N 1 0 382.552 4.000 20 30 GHEDRO C#CCO[C@H](C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C ZINC001126993814 856060607 /nfs/dbraw/zinc/06/06/07/856060607.db2.gz AOPFTMCDSKJHSD-BEFAXECRSA-N 1 0 399.362 3.947 20 30 GHEDRO C[NH+](C)CCn1cc(NCc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000109015636 856100130 /nfs/dbraw/zinc/10/01/30/856100130.db2.gz PHQPWOCBLSLFBC-UHFFFAOYSA-N 1 0 375.476 3.507 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000171709551 856238599 /nfs/dbraw/zinc/23/85/99/856238599.db2.gz CIWROEPMUBWZAR-UHFFFAOYSA-N 1 0 379.504 3.715 20 30 GHEDRO COc1ccc([C@@H]2C[C@H]([NH+]3CCN(c4ccc(C#N)cc4)CC3)CCO2)cc1 ZINC001168662435 856294411 /nfs/dbraw/zinc/29/44/11/856294411.db2.gz OJBHVYHLFBBGNO-GGAORHGYSA-N 1 0 377.488 3.609 20 30 GHEDRO C#Cc1cccc(NC(=S)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000905545971 856379208 /nfs/dbraw/zinc/37/92/08/856379208.db2.gz PWVSJXITAFKVLJ-OAQYLSRUSA-N 1 0 376.529 3.761 20 30 GHEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000619784217 856421076 /nfs/dbraw/zinc/42/10/76/856421076.db2.gz AZCOAGJBOOJWHD-UHFFFAOYSA-N 1 0 391.899 3.594 20 30 GHEDRO N#Cc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000167007569 856422283 /nfs/dbraw/zinc/42/22/83/856422283.db2.gz HUDRAZSEUCKWLK-UHFFFAOYSA-N 1 0 394.475 3.950 20 30 GHEDRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]C[C@H](O)CC3(C#N)CC3)n2c1 ZINC000905641728 856454790 /nfs/dbraw/zinc/45/47/90/856454790.db2.gz UZSUXGORXZVDCR-GOSISDBHSA-N 1 0 378.451 3.593 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1F ZINC000888357673 856468579 /nfs/dbraw/zinc/46/85/79/856468579.db2.gz JZBKKARIMQMXKC-GOSISDBHSA-N 1 0 381.455 3.611 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H](c3cccc(Cl)c3)N3CCCC3)n2c1 ZINC000123280132 856470986 /nfs/dbraw/zinc/47/09/86/856470986.db2.gz HIJGNFYOURTPNK-HXUWFJFHSA-N 1 0 379.895 3.786 20 30 GHEDRO Cc1ccccc1C1(C[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)CCOCC1 ZINC000062240290 856676758 /nfs/dbraw/zinc/67/67/58/856676758.db2.gz XFCWTTGAISWKNC-GOSISDBHSA-N 1 0 377.488 3.532 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177037 856761929 /nfs/dbraw/zinc/76/19/29/856761929.db2.gz HBCAOIOQQNZEHT-JOCHJYFZSA-N 1 0 378.472 3.605 20 30 GHEDRO CCCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H]1CCc2ncsc2C1 ZINC000592187223 856790549 /nfs/dbraw/zinc/79/05/49/856790549.db2.gz IKTWUHMLUKHCMM-INIZCTEOSA-N 1 0 383.517 3.961 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000592199090 856810796 /nfs/dbraw/zinc/81/07/96/856810796.db2.gz WVFGWAFHYCEXKK-HXUWFJFHSA-N 1 0 386.540 3.606 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ncc(Br)s3)C2)c(F)c1 ZINC000542923132 856835421 /nfs/dbraw/zinc/83/54/21/856835421.db2.gz AHRUVEUPOXOAEO-LBPRGKRZSA-N 1 0 395.301 3.675 20 30 GHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000111868121 857030403 /nfs/dbraw/zinc/03/04/03/857030403.db2.gz XMAJRPVUMWNIMU-IBGZPJMESA-N 1 0 394.475 3.583 20 30 GHEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000058560933 857054400 /nfs/dbraw/zinc/05/44/00/857054400.db2.gz KXCJTVJTPIGQIL-LJQANCHMSA-N 1 0 391.924 3.573 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000064381132 857139120 /nfs/dbraw/zinc/13/91/20/857139120.db2.gz SLJRODRNRRRENZ-UHFFFAOYSA-N 1 0 388.515 3.997 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000173787295 857148979 /nfs/dbraw/zinc/14/89/79/857148979.db2.gz CGIOLXMNGZIARF-OAQYLSRUSA-N 1 0 391.515 3.941 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCO)CC1CCCCC1 ZINC000485879825 857181012 /nfs/dbraw/zinc/18/10/12/857181012.db2.gz CDTQPYOQIHTLOZ-KRWDZBQOSA-N 1 0 389.565 3.751 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644365 857204066 /nfs/dbraw/zinc/20/40/66/857204066.db2.gz WCNYGEFNRYGVRQ-IBGZPJMESA-N 1 0 382.533 3.673 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)CC1 ZINC000174361835 857265201 /nfs/dbraw/zinc/26/52/01/857265201.db2.gz UCUQEYZLVWHBTA-UHFFFAOYSA-N 1 0 390.531 3.751 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000174481119 857320312 /nfs/dbraw/zinc/32/03/12/857320312.db2.gz QTPJHMQCFPYDCY-HXUWFJFHSA-N 1 0 377.488 3.551 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1OCCCC#N ZINC000174583384 857346056 /nfs/dbraw/zinc/34/60/56/857346056.db2.gz JPERSDIVYFUYGR-YLJYHZDGSA-N 1 0 393.487 3.661 20 30 GHEDRO O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000330321276 862902425 /nfs/dbraw/zinc/90/24/25/862902425.db2.gz FVJQNSIEBBDPDU-DZGCQCFKSA-N 1 0 384.446 3.828 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC2CCC1CC2 ZINC000921972312 857377005 /nfs/dbraw/zinc/37/70/05/857377005.db2.gz UKSVEOJIEBLKAX-XTNJDMASSA-N 1 0 378.520 3.630 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)cc2)ccn1 ZINC000592425585 857394600 /nfs/dbraw/zinc/39/46/00/857394600.db2.gz FHYNDQIYCJNZQK-IBGZPJMESA-N 1 0 377.448 3.542 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c(C(F)(F)F)c1 ZINC000554971055 857405432 /nfs/dbraw/zinc/40/54/32/857405432.db2.gz HIKVFCOPHHMWFA-OAHLLOKOSA-N 1 0 395.812 3.664 20 30 GHEDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cccc(OCc3cccc(C#N)c3)c1)C2 ZINC000520952129 857432623 /nfs/dbraw/zinc/43/26/23/857432623.db2.gz FMRIBKCOERXPCG-JOCHJYFZSA-N 1 0 384.483 3.883 20 30 GHEDRO COc1cccc2c1OC[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000113335042 857434990 /nfs/dbraw/zinc/43/49/90/857434990.db2.gz FKISAQJAKWUMLP-HXUWFJFHSA-N 1 0 388.471 3.566 20 30 GHEDRO CC(C)[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCOCC1 ZINC000077322823 857472888 /nfs/dbraw/zinc/47/28/88/857472888.db2.gz GDTYONWGJNTTGI-UHFFFAOYSA-N 1 0 375.538 3.717 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000521236244 857777236 /nfs/dbraw/zinc/77/72/36/857777236.db2.gz AHRWMBYKKHEQQW-QFIPXVFZSA-N 1 0 380.536 3.889 20 30 GHEDRO N#CC1(NC(=O)CCCc2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000594000651 857824248 /nfs/dbraw/zinc/82/42/48/857824248.db2.gz GAJFFNDDRVSKOI-UHFFFAOYSA-N 1 0 397.469 3.962 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCC1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000442650721 858027651 /nfs/dbraw/zinc/02/76/51/858027651.db2.gz PIVKNTSYNHTPHC-JMLCCBQJSA-N 1 0 396.457 3.937 20 30 GHEDRO CN(Cc1ccc(C#N)cc1F)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000114461208 858043734 /nfs/dbraw/zinc/04/37/34/858043734.db2.gz URYVCEMOKUQYIJ-MRXNPFEDSA-N 1 0 382.357 3.588 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCN(Cc2ccccc2)CC1 ZINC000114480650 858054613 /nfs/dbraw/zinc/05/46/13/858054613.db2.gz UPPFQHKDIBRZTF-UHFFFAOYSA-N 1 0 382.533 3.545 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000594434880 858176192 /nfs/dbraw/zinc/17/61/92/858176192.db2.gz VIWWBLFUVCZAPT-RBBKRZOGSA-N 1 0 377.488 3.628 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000594433364 858176317 /nfs/dbraw/zinc/17/63/17/858176317.db2.gz ONFWQUVVCHTROQ-GFCCVEGCSA-N 1 0 380.222 3.622 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)cc1 ZINC000442863104 858182694 /nfs/dbraw/zinc/18/26/94/858182694.db2.gz CESBVPOLWFONTP-SJLPKXTDSA-N 1 0 379.460 3.608 20 30 GHEDRO COc1ccccc1C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCCO1 ZINC000114725868 858190040 /nfs/dbraw/zinc/19/00/40/858190040.db2.gz CBEAVSHQHYBJSS-FQEVSTJZSA-N 1 0 393.487 3.577 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000594497120 858192490 /nfs/dbraw/zinc/19/24/90/858192490.db2.gz BYBBLQSXCVPPBL-QFIPXVFZSA-N 1 0 375.516 3.811 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC000594498173 858193412 /nfs/dbraw/zinc/19/34/12/858193412.db2.gz NACADOWEHQZJPC-JOCHJYFZSA-N 1 0 375.516 3.811 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H](C)C1 ZINC000592765986 858202065 /nfs/dbraw/zinc/20/20/65/858202065.db2.gz HQNHJATVGISWSX-GUYCJALGSA-N 1 0 398.334 3.732 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)n1 ZINC001128406266 858224938 /nfs/dbraw/zinc/22/49/38/858224938.db2.gz FUOBKJFEBXOHRV-SFHVURJKSA-N 1 0 382.895 3.637 20 30 GHEDRO N#Cc1cnn2cc(C[NH+]3CCC(CCc4ccc(F)cc4F)CC3)cnc12 ZINC000594611519 858241898 /nfs/dbraw/zinc/24/18/98/858241898.db2.gz GVCMTEXCOCTZAQ-UHFFFAOYSA-N 1 0 381.430 3.724 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc4c(c3)OCCCCO4)CCOCC2)c1 ZINC000594981007 858357004 /nfs/dbraw/zinc/35/70/04/858357004.db2.gz SCCOTFWTLSCEQD-UHFFFAOYSA-N 1 0 378.472 3.905 20 30 GHEDRO N#Cc1ccc(CC[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000595056740 858366263 /nfs/dbraw/zinc/36/62/63/858366263.db2.gz VQQJCRRNNHMLCQ-PMACEKPBSA-N 1 0 387.483 3.688 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC000595056751 858366340 /nfs/dbraw/zinc/36/63/40/858366340.db2.gz VTGYERSHIKNDGY-FGZHOGPDSA-N 1 0 382.529 3.784 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168706623 858445326 /nfs/dbraw/zinc/44/53/26/858445326.db2.gz JBEBCHVIUJJUIE-IBGZPJMESA-N 1 0 379.891 3.573 20 30 GHEDRO CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000595303364 858467349 /nfs/dbraw/zinc/46/73/49/858467349.db2.gz PGOAWDORMNHHFQ-IBGZPJMESA-N 1 0 383.536 3.686 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000115354366 858505511 /nfs/dbraw/zinc/50/55/11/858505511.db2.gz RWAOUXWQACXPSD-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC000522012866 858525152 /nfs/dbraw/zinc/52/51/52/858525152.db2.gz YUILLXVYSMOZFO-GOSISDBHSA-N 1 0 386.293 3.548 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000595443710 858531565 /nfs/dbraw/zinc/53/15/65/858531565.db2.gz HTPLDLUHBZHYGF-AQNXPRMDSA-N 1 0 382.552 4.000 20 30 GHEDRO COc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000115466889 858537535 /nfs/dbraw/zinc/53/75/35/858537535.db2.gz MAYYYBBRUBTUEP-UHFFFAOYSA-N 1 0 397.500 3.552 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+]C2(CCO)CCCC2)sc2c1CCCCC2 ZINC000595507828 858548287 /nfs/dbraw/zinc/54/82/87/858548287.db2.gz ACTFSTDSBGDTLB-UHFFFAOYSA-N 1 0 375.538 3.502 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000595552175 858564164 /nfs/dbraw/zinc/56/41/64/858564164.db2.gz PJKZTHQMNGLTRH-UHFFFAOYSA-N 1 0 375.432 3.797 20 30 GHEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000522080613 858602985 /nfs/dbraw/zinc/60/29/85/858602985.db2.gz UOWPSLWZDGQNFT-GTROLIPKSA-N 1 0 398.551 3.810 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+](Cc1ccccc1)CC1CCOCC1)c1ccccc1 ZINC000522081074 858604174 /nfs/dbraw/zinc/60/41/74/858604174.db2.gz PXCWPGBIDKSQSW-UHFFFAOYSA-N 1 0 391.515 3.862 20 30 GHEDRO COc1ccc([C@H](NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000595636601 858625386 /nfs/dbraw/zinc/62/53/86/858625386.db2.gz SDOAUWBNYFIIEN-JOCHJYFZSA-N 1 0 377.488 3.659 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1CCO ZINC000595696322 858650520 /nfs/dbraw/zinc/65/05/20/858650520.db2.gz KCAPMOOVRIAKSH-QAPCUYQASA-N 1 0 389.565 3.700 20 30 GHEDRO CC(C)(C)OC(=O)CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000595715652 858656866 /nfs/dbraw/zinc/65/68/66/858656866.db2.gz BDBGXYTXPARLDI-UHFFFAOYSA-N 1 0 385.508 3.721 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nc1 ZINC000522137855 858658902 /nfs/dbraw/zinc/65/89/02/858658902.db2.gz CXQIOCMSSLPNDI-LJQANCHMSA-N 1 0 384.911 3.900 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595789656 858689860 /nfs/dbraw/zinc/68/98/60/858689860.db2.gz RTIKISQHWCFOTJ-DYESRHJHSA-N 1 0 387.499 3.742 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508823926 858692468 /nfs/dbraw/zinc/69/24/68/858692468.db2.gz ANYICLBGBQSVMV-WIYYLYMNSA-N 1 0 395.526 3.647 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508823920 858703269 /nfs/dbraw/zinc/70/32/69/858703269.db2.gz ANYICLBGBQSVMV-GHTZIAJQSA-N 1 0 395.526 3.647 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC[C@H]21 ZINC000248150249 858721782 /nfs/dbraw/zinc/72/17/82/858721782.db2.gz QREOFBFFPCJPJK-SIKLNZKXSA-N 1 0 375.472 3.907 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3nc4ccccc4s3)CC2)c1 ZINC000593133461 858741203 /nfs/dbraw/zinc/74/12/03/858741203.db2.gz WEMNDPZLNXVQBU-UHFFFAOYSA-N 1 0 391.500 3.954 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000482710573 858785231 /nfs/dbraw/zinc/78/52/31/858785231.db2.gz YEMVXCPYSNHVLA-IRLDBZIGSA-N 1 0 399.441 3.709 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183710850 858803977 /nfs/dbraw/zinc/80/39/77/858803977.db2.gz ZEGGNNNYFKOFDU-WMZOPIPTSA-N 1 0 389.565 3.798 20 30 GHEDRO N#Cc1ccc(CNC(=O)COc2ccc(C[NH+]3CCCC3)c(Cl)c2)cc1 ZINC000596302518 858851025 /nfs/dbraw/zinc/85/10/25/858851025.db2.gz VYTLOHVYOQCHSF-UHFFFAOYSA-N 1 0 383.879 3.503 20 30 GHEDRO CN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000443504876 858853628 /nfs/dbraw/zinc/85/36/28/858853628.db2.gz ZBBCPDVWIHAPTK-IBGZPJMESA-N 1 0 387.443 3.725 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](c2ccc(OC)cc2)C1)C(C)C ZINC000522228038 858866134 /nfs/dbraw/zinc/86/61/34/858866134.db2.gz SEMIWCJGAHQXRU-UNMCSNQZSA-N 1 0 385.552 3.893 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000522287772 858958269 /nfs/dbraw/zinc/95/82/69/858958269.db2.gz GTLYWIJGPQRDRL-UHFFFAOYSA-N 1 0 381.520 3.833 20 30 GHEDRO Cc1nc2sccn2c(=O)c1CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000509296380 858979375 /nfs/dbraw/zinc/97/93/75/858979375.db2.gz YZQVURDWTYRQJF-UHFFFAOYSA-N 1 0 380.517 3.637 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCCc1ccc(C#N)cc1 ZINC000596663758 858980762 /nfs/dbraw/zinc/98/07/62/858980762.db2.gz XSRCVSWLRRCPBE-UHFFFAOYSA-N 1 0 380.492 3.643 20 30 GHEDRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000142828238 858993144 /nfs/dbraw/zinc/99/31/44/858993144.db2.gz OXGFGRFGMZKGMS-QGZVFWFLSA-N 1 0 394.544 3.589 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCc1ccccc1O ZINC000543245213 859015842 /nfs/dbraw/zinc/01/58/42/859015842.db2.gz QHGOLQLCWKGNQS-UHFFFAOYSA-N 1 0 383.517 3.707 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000522322782 859045787 /nfs/dbraw/zinc/04/57/87/859045787.db2.gz QDXHANDARXMWHH-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1C(F)(F)F ZINC000596778301 859068234 /nfs/dbraw/zinc/06/82/34/859068234.db2.gz VNOMAEHSFCHRNH-AWEZNQCLSA-N 1 0 380.414 3.821 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160696934 859120363 /nfs/dbraw/zinc/12/03/63/859120363.db2.gz KNLFPEIHMGQMBP-KRWDZBQOSA-N 1 0 396.466 3.740 20 30 GHEDRO C=CCc1cc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC000483218613 859227702 /nfs/dbraw/zinc/22/77/02/859227702.db2.gz QAGVCDPIQLPCHO-IBGZPJMESA-N 1 0 386.536 3.703 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC(C)=C(C)C2)c1C#N ZINC000483359409 859310091 /nfs/dbraw/zinc/31/00/91/859310091.db2.gz RHHVQEDEAXGEFN-UHFFFAOYSA-N 1 0 380.492 3.989 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc4cc(O)ccc43)CC2)c1 ZINC000601655854 859423996 /nfs/dbraw/zinc/42/39/96/859423996.db2.gz CLBIWZJBPYDYIT-UHFFFAOYSA-N 1 0 385.467 3.811 20 30 GHEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000509433846 859435662 /nfs/dbraw/zinc/43/56/62/859435662.db2.gz YVSLJYAPIBQOOE-HXUWFJFHSA-N 1 0 376.435 3.884 20 30 GHEDRO COc1ccc(Br)c(C[N@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000499742799 859463430 /nfs/dbraw/zinc/46/34/30/859463430.db2.gz YQGDDTWEVOACMM-UHFFFAOYSA-N 1 0 381.314 3.990 20 30 GHEDRO COc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccc1OC1COC1 ZINC001170361797 881426108 /nfs/dbraw/zinc/42/61/08/881426108.db2.gz GOHGJPCFFISKSJ-UHFFFAOYSA-N 1 0 392.499 3.967 20 30 GHEDRO C#CC[C@@]1(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCCN1C(=O)OC(C)(C)C ZINC000764606081 859524479 /nfs/dbraw/zinc/52/44/79/859524479.db2.gz QCSGLCALTSQFCZ-QHCPKHFHSA-N 1 0 399.535 3.788 20 30 GHEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1c(F)cccc1F ZINC000593350763 859525439 /nfs/dbraw/zinc/52/54/39/859525439.db2.gz GFWOPBGSWDTVMN-OAHLLOKOSA-N 1 0 383.442 3.721 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000466446338 859530778 /nfs/dbraw/zinc/53/07/78/859530778.db2.gz PIEXICVCHUCOCU-UHFFFAOYSA-N 1 0 390.512 3.772 20 30 GHEDRO Cc1cc(C)cc(OCCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593352891 859536914 /nfs/dbraw/zinc/53/69/14/859536914.db2.gz DTAJXVOLIGFQJT-UHFFFAOYSA-N 1 0 391.515 3.725 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)CC2)c1 ZINC000593354248 859552551 /nfs/dbraw/zinc/55/25/51/859552551.db2.gz NLJNQBGWTRGRFV-MOPGFXCFSA-N 1 0 395.453 3.721 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3Br)CC2)c1 ZINC000593354239 859552882 /nfs/dbraw/zinc/55/28/82/859552882.db2.gz YTUQWIPUGKUJKU-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO C[C@@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1F ZINC000593354653 859556220 /nfs/dbraw/zinc/55/62/20/859556220.db2.gz JSVFKXJJUDJHFX-KRWDZBQOSA-N 1 0 379.479 3.972 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1)C1CC1 ZINC000764681014 859566709 /nfs/dbraw/zinc/56/67/09/859566709.db2.gz DGOYYOSEUVZKSB-UHFFFAOYSA-N 1 0 378.472 3.700 20 30 GHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000069577640 859579027 /nfs/dbraw/zinc/57/90/27/859579027.db2.gz ROJWFVBLLOSYBY-GOSISDBHSA-N 1 0 395.528 3.550 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000069607052 859595331 /nfs/dbraw/zinc/59/53/31/859595331.db2.gz ZEOISDOYAIQZFX-HDICACEKSA-N 1 0 392.503 3.798 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560460 881440221 /nfs/dbraw/zinc/44/02/21/881440221.db2.gz NAPNXWDWZZWVMD-NRFANRHFSA-N 1 0 382.483 3.586 20 30 GHEDRO CC[C@H](O)[C@H]1CCCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000114458722 859613898 /nfs/dbraw/zinc/61/38/98/859613898.db2.gz VMYSZUZJNAMOIX-JQHSSLGASA-N 1 0 375.538 3.502 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cc1 ZINC000611181063 859634302 /nfs/dbraw/zinc/63/43/02/859634302.db2.gz WXHGCPZVBPYDGH-DHIUTWEWSA-N 1 0 378.516 3.980 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)o2)c1 ZINC000552059346 859669899 /nfs/dbraw/zinc/66/98/99/859669899.db2.gz ZLGUFMLIEBDTMQ-RBUKOAKNSA-N 1 0 396.397 3.976 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(c4ccccc4C(F)(F)F)C3)n2c1 ZINC000185204438 859695211 /nfs/dbraw/zinc/69/52/11/859695211.db2.gz INCFSARRFHFHNX-OAHLLOKOSA-N 1 0 385.393 3.593 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000611362951 859728963 /nfs/dbraw/zinc/72/89/63/859728963.db2.gz IRZVCSCJZFMMJN-NRFANRHFSA-N 1 0 376.504 3.897 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000611387021 859731731 /nfs/dbraw/zinc/73/17/31/859731731.db2.gz YLALMJLVMDHJOX-LSDHHAIUSA-N 1 0 378.501 3.866 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000611391374 859741350 /nfs/dbraw/zinc/74/13/50/859741350.db2.gz KCJZKOYNZWFAJU-GMAHTHKFSA-N 1 0 389.499 3.634 20 30 GHEDRO COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000611406167 859743369 /nfs/dbraw/zinc/74/33/69/859743369.db2.gz VBMQBTFOPZQMLL-LJQANCHMSA-N 1 0 399.878 3.680 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000484020554 859769893 /nfs/dbraw/zinc/76/98/93/859769893.db2.gz SOVOEJKSFAMRMS-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC000611503187 859788114 /nfs/dbraw/zinc/78/81/14/859788114.db2.gz SKDXRNLQHBZELJ-SIKLNZKXSA-N 1 0 382.479 3.901 20 30 GHEDRO CCOc1ccc(C2=CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC000091813560 859936917 /nfs/dbraw/zinc/93/69/17/859936917.db2.gz KJQMAJJEONTTSN-QFIPXVFZSA-N 1 0 392.499 3.680 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2csc(C#N)c2)CC2(CCOCC2)C1 ZINC000922416055 859938189 /nfs/dbraw/zinc/93/81/89/859938189.db2.gz LPUIFCWXWUZBOX-MRXNPFEDSA-N 1 0 391.537 3.516 20 30 GHEDRO Cc1c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cnn1CCC#N ZINC000895822354 859984819 /nfs/dbraw/zinc/98/48/19/859984819.db2.gz JBWQYNJJYIRNMU-UHFFFAOYSA-N 1 0 393.535 3.800 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCc4cc(F)c(F)cc43)CC2)c1 ZINC000593510615 860050783 /nfs/dbraw/zinc/05/07/83/860050783.db2.gz PNGCKRHJHMXTQT-UHFFFAOYSA-N 1 0 396.441 3.573 20 30 GHEDRO C[C@H](CCC#N)CNc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000602492089 860057364 /nfs/dbraw/zinc/05/73/64/860057364.db2.gz MADOQOANKRQSMN-HXUWFJFHSA-N 1 0 377.536 3.798 20 30 GHEDRO CON=Cc1ccc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000727392633 860070618 /nfs/dbraw/zinc/07/06/18/860070618.db2.gz QAAUQYQCBLQXDA-UHFFFAOYSA-N 1 0 379.504 3.651 20 30 GHEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000154376635 860088205 /nfs/dbraw/zinc/08/82/05/860088205.db2.gz IFBKIIVXEKZRAY-UHFFFAOYSA-N 1 0 382.508 3.734 20 30 GHEDRO Cc1ccc(C)c(CN(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593514209 860100908 /nfs/dbraw/zinc/10/09/08/860100908.db2.gz TWYOOTSNJRTSMS-UHFFFAOYSA-N 1 0 390.531 3.981 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCc3onc(Cn4ccnc4)c3C2)CC1 ZINC001170384450 881499798 /nfs/dbraw/zinc/49/97/98/881499798.db2.gz YBYSMQAQQBALRY-UHFFFAOYSA-N 1 0 387.487 3.682 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000602555352 860106972 /nfs/dbraw/zinc/10/69/72/860106972.db2.gz LNOQTOMJMJJRFU-CABCVRRESA-N 1 0 384.705 3.787 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000602555353 860107345 /nfs/dbraw/zinc/10/73/45/860107345.db2.gz LNOQTOMJMJJRFU-GJZGRUSLSA-N 1 0 384.705 3.787 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(-c3ccc(-n4cnc5ccccc54)cc3)no1)C2 ZINC000904103159 860126240 /nfs/dbraw/zinc/12/62/40/860126240.db2.gz PUAPQYBVLZCVFF-WCCYLALTSA-N 1 0 396.454 3.682 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3csc(C#N)c3)C2)CC1 ZINC000895937201 860135474 /nfs/dbraw/zinc/13/54/74/860135474.db2.gz TXYPFUNOFPKKHB-INIZCTEOSA-N 1 0 391.537 3.516 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000054223060 860136645 /nfs/dbraw/zinc/13/66/45/860136645.db2.gz ZMQVZBUWNYUSNM-UTKZUKDTSA-N 1 0 379.529 3.743 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(C3(c4ccccc4Br)CC3)no1)C2 ZINC000904118127 860145690 /nfs/dbraw/zinc/14/56/90/860145690.db2.gz GOGUAAHDQGCOMW-XYEKJYRLSA-N 1 0 399.292 3.519 20 30 GHEDRO CCOc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)ccc1OC ZINC000092854260 860147109 /nfs/dbraw/zinc/14/71/09/860147109.db2.gz QLFZFKDSWRZIFF-UHFFFAOYSA-N 1 0 381.476 3.840 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092854455 860147522 /nfs/dbraw/zinc/14/75/22/860147522.db2.gz QVLHANPRXYQUMI-UHFFFAOYSA-N 1 0 387.487 3.927 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000120303049 881506497 /nfs/dbraw/zinc/50/64/97/881506497.db2.gz DZKWFZQNIQQLGR-SFHVURJKSA-N 1 0 394.519 3.528 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000484602457 860173664 /nfs/dbraw/zinc/17/36/64/860173664.db2.gz VYEGHHWEOGDTHI-RBUKOAKNSA-N 1 0 375.561 3.672 20 30 GHEDRO N#Cc1ccc(Oc2nc(N3C[C@H](CC[NH3+])c4ccccc43)ncc2F)cc1 ZINC001168544008 860189900 /nfs/dbraw/zinc/18/99/00/860189900.db2.gz KWIMXGDZLJQLST-HNNXBMFYSA-N 1 0 375.407 3.864 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[N@@H+](C(C)C)CC2)c1=S ZINC000727826034 860282040 /nfs/dbraw/zinc/28/20/40/860282040.db2.gz IGOZADYSQVVBSU-UHFFFAOYSA-N 1 0 385.581 3.949 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000484719837 860286432 /nfs/dbraw/zinc/28/64/32/860286432.db2.gz IUXJXARVUBKCPW-UHFFFAOYSA-N 1 0 395.551 3.503 20 30 GHEDRO C=CCn1c(C2CC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508965910 860308665 /nfs/dbraw/zinc/30/86/65/860308665.db2.gz XTMCGXBWGZAPCU-LEWJYISDSA-N 1 0 377.536 3.832 20 30 GHEDRO C[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1CCC[NH3+] ZINC000904281850 860309821 /nfs/dbraw/zinc/30/98/21/860309821.db2.gz BCLODUOEKPVPCC-DNVCBOLYSA-N 1 0 397.548 3.977 20 30 GHEDRO COc1ccc(CN(C(=O)CN[C@@H](C)CC#N)[C@@H](C)Cc2cccs2)cc1 ZINC000602860929 860318464 /nfs/dbraw/zinc/31/84/64/860318464.db2.gz DXWMNEPWJBVMGH-IRXDYDNUSA-N 1 0 385.533 3.608 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@]23CC[NH2+]C3)cc1 ZINC000904323593 860339660 /nfs/dbraw/zinc/33/96/60/860339660.db2.gz PMWIFIBFBFEOSM-JOCHJYFZSA-N 1 0 392.459 3.719 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@H]2C1 ZINC000329434372 860358859 /nfs/dbraw/zinc/35/88/59/860358859.db2.gz LCNMYOCIONPHTB-UWJYYQICSA-N 1 0 376.460 3.908 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccccc2)cc1OC ZINC000598603650 860431463 /nfs/dbraw/zinc/43/14/63/860431463.db2.gz XYPROZANJWXLRB-PMACEKPBSA-N 1 0 382.504 3.878 20 30 GHEDRO C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000499998760 860440211 /nfs/dbraw/zinc/44/02/11/860440211.db2.gz UGIQWUTUFMZUSO-NRFANRHFSA-N 1 0 393.487 3.526 20 30 GHEDRO CC(C)(C[NH3+])C1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000904477349 860469602 /nfs/dbraw/zinc/46/96/02/860469602.db2.gz UMEWHGRKZUEWEC-UHFFFAOYSA-N 1 0 379.302 3.550 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccnn3CCc3ccccc3)CCOCC2)c1 ZINC000598649654 860482864 /nfs/dbraw/zinc/48/28/64/860482864.db2.gz XGLORKHFILJLII-UHFFFAOYSA-N 1 0 386.499 3.793 20 30 GHEDRO CC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000598680289 860498754 /nfs/dbraw/zinc/49/87/54/860498754.db2.gz UXSPRRQMMXGBIC-QHCPKHFHSA-N 1 0 388.515 3.610 20 30 GHEDRO N#CCCc1ccc(NC(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000904540416 860501654 /nfs/dbraw/zinc/50/16/54/860501654.db2.gz ZJNLZLZLNQALOQ-DENIHFKCSA-N 1 0 376.460 3.520 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000509001164 860504208 /nfs/dbraw/zinc/50/42/08/860504208.db2.gz MBTZDUBYMXHGLL-GOSISDBHSA-N 1 0 390.535 3.847 20 30 GHEDRO CCc1cccc2c(C3CC[NH+](CC(=O)N[C@](C)(C#N)C4CC4)CC3)c[nH]c21 ZINC000125009515 860555170 /nfs/dbraw/zinc/55/51/70/860555170.db2.gz UBPFCQLUQGAOBX-HSZRJFAPSA-N 1 0 378.520 3.718 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CC3(C2)CCN(Cc2cccnc2)C3)CC1 ZINC001170381796 881557682 /nfs/dbraw/zinc/55/76/82/881557682.db2.gz ZJAPAFPVYQALNU-UHFFFAOYSA-N 1 0 386.543 3.993 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2[nH]c(C(F)F)nc2c1)C(C)C ZINC000603287867 860625479 /nfs/dbraw/zinc/62/54/79/860625479.db2.gz MWRMIYZLVZNHRS-QGZVFWFLSA-N 1 0 376.451 3.929 20 30 GHEDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)n1 ZINC000922864938 860689988 /nfs/dbraw/zinc/68/99/88/860689988.db2.gz GNNICBGXUNHKJL-DLBZAZTESA-N 1 0 384.480 3.749 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NCC[C@H]2CCC[NH2+]C2)n(-c2ccc(C#N)cc2)n1 ZINC000557026988 881569321 /nfs/dbraw/zinc/56/93/21/881569321.db2.gz RAIINTOWZZDEQU-QGZVFWFLSA-N 1 0 394.523 3.553 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000603444266 860705663 /nfs/dbraw/zinc/70/56/63/860705663.db2.gz UGMRFURWXSAFJX-RXVVDRJESA-N 1 0 379.504 3.741 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000125718979 860757845 /nfs/dbraw/zinc/75/78/45/860757845.db2.gz LWHHJUYRUUXVHZ-QUCCMNQESA-N 1 0 392.434 3.660 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000429060842 860905943 /nfs/dbraw/zinc/90/59/43/860905943.db2.gz FFAHUPPEVBOHEO-APWZRJJASA-N 1 0 378.476 3.599 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCN(Cc4ccccc4)C3)CC2)c1 ZINC000593701002 860923389 /nfs/dbraw/zinc/92/33/89/860923389.db2.gz ALKCRDAUESLBLN-VWLOTQADSA-N 1 0 388.559 3.777 20 30 GHEDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N1CCCC1 ZINC000237267286 860924553 /nfs/dbraw/zinc/92/45/53/860924553.db2.gz ORERTFKNEYULMS-AVRDEDQJSA-N 1 0 379.504 3.913 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000603661032 860994350 /nfs/dbraw/zinc/99/43/50/860994350.db2.gz XVXKTWPVMOBKRA-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2c(F)cccc2F)C2CCCC2)CCOCC1 ZINC000599283606 861010061 /nfs/dbraw/zinc/01/00/61/861010061.db2.gz AATRKYYAZUVDQZ-QGZVFWFLSA-N 1 0 378.463 3.781 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCC[NH+]3CCCCCC3)cn2)c1 ZINC000603692041 861027361 /nfs/dbraw/zinc/02/73/61/861027361.db2.gz PPOZCROSFNVIBP-UHFFFAOYSA-N 1 0 379.464 3.743 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)C2CCCCC2)sc2c1CCCCC2 ZINC000096967594 861072856 /nfs/dbraw/zinc/07/28/56/861072856.db2.gz QBKZPBCPQGTAJE-UHFFFAOYSA-N 1 0 389.565 3.844 20 30 GHEDRO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCCCC#N ZINC000599340975 861076466 /nfs/dbraw/zinc/07/64/66/861076466.db2.gz HLPJHEISHIOMQL-VWNXMTODSA-N 1 0 375.516 3.886 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000599347804 861084218 /nfs/dbraw/zinc/08/42/18/861084218.db2.gz BBXXMYLVJRNOHD-SJORKVTESA-N 1 0 382.357 3.720 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)cc1OC ZINC000623534210 861145601 /nfs/dbraw/zinc/14/56/01/861145601.db2.gz CQZLJSKJZPBKLO-LMMKCTJWSA-N 1 0 391.899 3.618 20 30 GHEDRO CC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cc(F)cc(Br)c1 ZINC000599382760 861146582 /nfs/dbraw/zinc/14/65/82/861146582.db2.gz YZIUOXTZTCWNQE-DLBZAZTESA-N 1 0 399.304 3.700 20 30 GHEDRO Cc1nc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)s1 ZINC000329214917 861152119 /nfs/dbraw/zinc/15/21/19/861152119.db2.gz LWUAMWGYRSLHMM-QZTJIDSGSA-N 1 0 393.601 3.574 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000329218256 861154303 /nfs/dbraw/zinc/15/43/03/861154303.db2.gz RPBFBLAQWAGHHS-HKUYNNGSSA-N 1 0 375.488 3.509 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000599392532 861156856 /nfs/dbraw/zinc/15/68/56/861156856.db2.gz UJUYTIPPHHQUNI-GOSISDBHSA-N 1 0 378.394 3.753 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1OC ZINC000623530340 861162561 /nfs/dbraw/zinc/16/25/61/861162561.db2.gz UPGLOKLSROBYCZ-BLLLJJGKSA-N 1 0 379.806 3.849 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(Oc2cccnc2)cc1 ZINC000599422746 861165095 /nfs/dbraw/zinc/16/50/95/861165095.db2.gz WQUJTIRNERORBG-HKUYNNGSSA-N 1 0 381.476 3.596 20 30 GHEDRO Cc1nnc(C)n1[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000730553503 861165446 /nfs/dbraw/zinc/16/54/46/861165446.db2.gz ZKUXTIIBPCWWGQ-AAPKHWLTSA-N 1 0 397.910 3.846 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(OC)c(OC)c1 ZINC000161692643 861169968 /nfs/dbraw/zinc/16/99/68/861169968.db2.gz XHCVCSAOCCDEJY-IBGZPJMESA-N 1 0 380.492 3.680 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4ccc(F)c(F)c4)CC3)C2=O)cc1 ZINC000609194780 881620712 /nfs/dbraw/zinc/62/07/12/881620712.db2.gz IWEBMLHKFYPHSK-OAQYLSRUSA-N 1 0 381.426 3.821 20 30 GHEDRO Cc1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1C#N ZINC000443982645 863092491 /nfs/dbraw/zinc/09/24/91/863092491.db2.gz DOSZFUSWTZVAFL-GOSISDBHSA-N 1 0 387.405 3.776 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000444033457 863179002 /nfs/dbraw/zinc/17/90/02/863179002.db2.gz RIOKMHKFJBNELX-CJNGLKHVSA-N 1 0 398.429 3.836 20 30 GHEDRO C=C[C@@H](CC(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000567980251 863182271 /nfs/dbraw/zinc/18/22/71/863182271.db2.gz VVTHMRKJGRMJFX-FPOVZHCZSA-N 1 0 392.547 3.734 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000733852021 863219478 /nfs/dbraw/zinc/21/94/78/863219478.db2.gz QAMSILMYQAOXNF-OAQYLSRUSA-N 1 0 394.519 3.771 20 30 GHEDRO C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000482493846 863222161 /nfs/dbraw/zinc/22/21/61/863222161.db2.gz HTYHEYJJKAHZNS-LJQANCHMSA-N 1 0 391.515 3.839 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508462318 863390366 /nfs/dbraw/zinc/39/03/66/863390366.db2.gz VFQUKOGCGVTPIJ-HXUWFJFHSA-N 1 0 397.567 3.828 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000183142165 863484388 /nfs/dbraw/zinc/48/43/88/863484388.db2.gz OMLQMHJSHSJJSK-QGZVFWFLSA-N 1 0 379.508 3.516 20 30 GHEDRO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594031531 863799163 /nfs/dbraw/zinc/79/91/63/863799163.db2.gz HVJFWPZREQHKDI-UHFFFAOYSA-N 1 0 397.500 3.631 20 30 GHEDRO COc1ccc([C@@H](NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)C2CC2)cc1 ZINC000594032960 863826108 /nfs/dbraw/zinc/82/61/08/863826108.db2.gz SVYXIDYJKJRMMV-QHCPKHFHSA-N 1 0 389.499 3.803 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+]C2(c3ccc(C#N)cc3)CCC2)sc2c1CCC2 ZINC000594033033 863828811 /nfs/dbraw/zinc/82/88/11/863828811.db2.gz FBDBRIRGCSVFDM-UHFFFAOYSA-N 1 0 390.512 3.978 20 30 GHEDRO C[C@@H]([NH2+]CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000856733048 881699166 /nfs/dbraw/zinc/69/91/66/881699166.db2.gz MDGSIAPRPNMQHC-LEKKZIBYSA-N 1 0 385.508 3.502 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H](C)C1 ZINC000120767798 881713849 /nfs/dbraw/zinc/71/38/49/881713849.db2.gz HAKZTCAVALESHZ-XMSQKQJNSA-N 1 0 376.504 3.675 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734281808 864117645 /nfs/dbraw/zinc/11/76/45/864117645.db2.gz KMPQCADUAIQHDU-MRXNPFEDSA-N 1 0 397.972 3.743 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](COCc2ccccc2)c2ccccc2)CC1 ZINC000607183394 864146958 /nfs/dbraw/zinc/14/69/58/864146958.db2.gz FJTFGVRISZJDOS-HSZRJFAPSA-N 1 0 393.531 3.894 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000043111292 864153589 /nfs/dbraw/zinc/15/35/89/864153589.db2.gz KZEAVZRWPCETAJ-QFIPXVFZSA-N 1 0 392.503 3.545 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000184169432 864164147 /nfs/dbraw/zinc/16/41/47/864164147.db2.gz YBIWYCUOBSOGGP-UHFFFAOYSA-N 1 0 393.466 3.948 20 30 GHEDRO COCCc1nc2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC000272194377 881736452 /nfs/dbraw/zinc/73/64/52/881736452.db2.gz HVSLMRVXLXUDOC-UHFFFAOYSA-N 1 0 390.487 3.965 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCOc2ccc3ccccc3c2)CC1 ZINC000475121942 864254565 /nfs/dbraw/zinc/25/45/65/864254565.db2.gz UMKUMNLWJOTNFB-UHFFFAOYSA-N 1 0 381.520 3.948 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000184316259 864340811 /nfs/dbraw/zinc/34/08/11/864340811.db2.gz JEGNHKSUKBYGBW-KRWDZBQOSA-N 1 0 392.503 3.936 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)o3)C2)c(F)c1 ZINC000480343234 864525314 /nfs/dbraw/zinc/52/53/14/864525314.db2.gz MBCUNVLBNMGVSK-CYBMUJFWSA-N 1 0 378.245 3.811 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C12CCC2 ZINC000763698469 864595583 /nfs/dbraw/zinc/59/55/83/864595583.db2.gz RHKBTTFMRVBLFQ-PWIZWCRZSA-N 1 0 390.487 3.503 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000667674230 864630649 /nfs/dbraw/zinc/63/06/49/864630649.db2.gz XZLGYZDAKVSWPL-TZMCWYRMSA-N 1 0 382.302 3.605 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000063398984 864656220 /nfs/dbraw/zinc/65/62/20/864656220.db2.gz KXPLEROLSCAOSB-HXUWFJFHSA-N 1 0 388.512 3.803 20 30 GHEDRO C=CCc1cc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000735221568 864690740 /nfs/dbraw/zinc/69/07/40/864690740.db2.gz SETYLIWXFQLRQU-FQEVSTJZSA-N 1 0 381.472 3.864 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000735306792 864709405 /nfs/dbraw/zinc/70/94/05/864709405.db2.gz UVDKKXHVABOYGC-UHFFFAOYSA-N 1 0 381.867 3.665 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000475290983 864723456 /nfs/dbraw/zinc/72/34/56/864723456.db2.gz KSHXDGWBQGNCID-LJQANCHMSA-N 1 0 385.552 3.810 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000475297234 864729987 /nfs/dbraw/zinc/72/99/87/864729987.db2.gz CHRZGIAUKXFZBB-IBGZPJMESA-N 1 0 399.579 3.961 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(OC)cc1 ZINC000063549571 864938919 /nfs/dbraw/zinc/93/89/19/864938919.db2.gz TUCBEVPAGSXUJP-UHFFFAOYSA-N 1 0 383.448 3.929 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1 ZINC000897261073 865002288 /nfs/dbraw/zinc/00/22/88/865002288.db2.gz VYWUKQCRZXVKDN-JOCHJYFZSA-N 1 0 392.499 3.643 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000735939288 865063579 /nfs/dbraw/zinc/06/35/79/865063579.db2.gz CBTCLWSTLPFZPI-JOCHJYFZSA-N 1 0 390.483 3.563 20 30 GHEDRO N#CC1(CCC[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)CCOCC1 ZINC000282001906 865063626 /nfs/dbraw/zinc/06/36/26/865063626.db2.gz NQFPAVKCIZZCQJ-UHFFFAOYSA-N 1 0 379.907 3.697 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)ccc1OC ZINC000792974444 881831909 /nfs/dbraw/zinc/83/19/09/881831909.db2.gz AGOPUNGGGKOEAR-FQEVSTJZSA-N 1 0 394.450 3.991 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000173848980 865157262 /nfs/dbraw/zinc/15/72/62/865157262.db2.gz LGOMLFZYOZRDLS-INIZCTEOSA-N 1 0 385.508 3.556 20 30 GHEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508478457 865320425 /nfs/dbraw/zinc/32/04/25/865320425.db2.gz RVLCMGNSZIIASC-FQEVSTJZSA-N 1 0 399.539 3.532 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)CC1 ZINC000171715113 865342620 /nfs/dbraw/zinc/34/26/20/865342620.db2.gz UOQMZGAQXPHPLH-QGZVFWFLSA-N 1 0 379.504 3.611 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC000171722283 865345007 /nfs/dbraw/zinc/34/50/07/865345007.db2.gz JVJMAKWHYCACHH-HNNXBMFYSA-N 1 0 394.357 3.720 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000171726537 865345975 /nfs/dbraw/zinc/34/59/75/865345975.db2.gz TZRZUIJUMQWHLU-UHFFFAOYSA-N 1 0 386.721 3.552 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC001168425024 865466254 /nfs/dbraw/zinc/46/62/54/865466254.db2.gz ZFRBIDUKZGHKRR-WMZOPIPTSA-N 1 0 393.325 3.530 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(C[NH+](C)C)CC2)c1=S ZINC000738077454 865479809 /nfs/dbraw/zinc/47/98/09/865479809.db2.gz UZFAZKTXPAUOQD-UHFFFAOYSA-N 1 0 389.544 3.637 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCCCC2)nc1-c1ccncc1 ZINC000738097814 865483870 /nfs/dbraw/zinc/48/38/70/865483870.db2.gz UEXICLWXFRKWFE-IBGZPJMESA-N 1 0 398.580 3.570 20 30 GHEDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000738515989 865549213 /nfs/dbraw/zinc/54/92/13/865549213.db2.gz HXKCWYQJTNNAHZ-UHFFFAOYSA-N 1 0 379.504 3.828 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000174219794 865574595 /nfs/dbraw/zinc/57/45/95/865574595.db2.gz RSADILCMIKGVBQ-UHFFFAOYSA-N 1 0 378.438 3.589 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNc3cccc(C#N)c3)cc2)C1 ZINC000494546383 881893396 /nfs/dbraw/zinc/89/33/96/881893396.db2.gz ZOJJZZSBQQSBCL-SFHVURJKSA-N 1 0 376.504 3.518 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508481304 865727791 /nfs/dbraw/zinc/72/77/91/865727791.db2.gz PGVWWPSIOKEANW-ZWKOTPCHSA-N 1 0 399.514 3.808 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H](SCC)C2)cc1 ZINC000481049826 865742621 /nfs/dbraw/zinc/74/26/21/865742621.db2.gz FJMGMZVLDKAZIZ-FQEVSTJZSA-N 1 0 389.565 3.940 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000739857239 865803271 /nfs/dbraw/zinc/80/32/71/865803271.db2.gz KSQPEQGDCGOEGR-WIYYLYMNSA-N 1 0 392.551 3.669 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000739841878 865816201 /nfs/dbraw/zinc/81/62/01/865816201.db2.gz YVNQPJMRNVCGMS-OAQYLSRUSA-N 1 0 375.451 3.929 20 30 GHEDRO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000739902014 865825280 /nfs/dbraw/zinc/82/52/80/865825280.db2.gz ILOMTKDPPDBAEM-XMMPIXPASA-N 1 0 399.494 3.743 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740033634 865834000 /nfs/dbraw/zinc/83/40/00/865834000.db2.gz MCIQTFCULOHQNK-MRXNPFEDSA-N 1 0 382.533 3.818 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C#N)cc3F)CCCC2)cc1OC ZINC000133069794 881910876 /nfs/dbraw/zinc/91/08/76/881910876.db2.gz YRJMITPECSJYEO-UHFFFAOYSA-N 1 0 397.450 3.756 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740483066 865928413 /nfs/dbraw/zinc/92/84/13/865928413.db2.gz LNSBFNDLYLTWHO-UHFFFAOYSA-N 1 0 382.533 3.770 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Cl)c(OCCC)c(OCC)c2)CC1 ZINC000740738151 865976460 /nfs/dbraw/zinc/97/64/60/865976460.db2.gz WJSDPHUNDPUIGZ-UHFFFAOYSA-N 1 0 392.927 3.745 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000481193379 865979730 /nfs/dbraw/zinc/97/97/30/865979730.db2.gz SPXDTPGOTYFTSC-IRLDBZIGSA-N 1 0 382.529 3.723 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000667839639 866024125 /nfs/dbraw/zinc/02/41/25/866024125.db2.gz DTOLCIDVGMCMRH-UHFFFAOYSA-N 1 0 383.496 3.556 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC(=O)N3Cc4ccccc4C3)c2)c1 ZINC000475495956 866041679 /nfs/dbraw/zinc/04/16/79/866041679.db2.gz FNCIDJBTEXTZAR-UHFFFAOYSA-N 1 0 397.478 3.769 20 30 GHEDRO N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000793125951 881934266 /nfs/dbraw/zinc/93/42/66/881934266.db2.gz RISOIZSTLPEJHE-OAHLLOKOSA-N 1 0 386.383 3.610 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000456251624 866277538 /nfs/dbraw/zinc/27/75/38/866277538.db2.gz ACUCDXYJWXFCHD-QFIPXVFZSA-N 1 0 385.471 3.854 20 30 GHEDRO N#Cc1ccc(OCCOC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000741331909 866415344 /nfs/dbraw/zinc/41/53/44/866415344.db2.gz VIEMEHMSBVYZHV-LJQANCHMSA-N 1 0 382.435 3.532 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000609984522 866523175 /nfs/dbraw/zinc/52/31/75/866523175.db2.gz KDGVLEAUFRHJKQ-JOCHJYFZSA-N 1 0 377.488 3.549 20 30 GHEDRO C=CCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCOCC1 ZINC000620195333 866544568 /nfs/dbraw/zinc/54/45/68/866544568.db2.gz CIJXWYGIOWENGC-NRFANRHFSA-N 1 0 382.548 3.778 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000049790174 866577580 /nfs/dbraw/zinc/57/75/80/866577580.db2.gz KTNDMQZRQWKFFH-NRFANRHFSA-N 1 0 392.503 3.545 20 30 GHEDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000534399925 866716123 /nfs/dbraw/zinc/71/61/23/866716123.db2.gz AEYZPYKYXQQUQJ-KRWDZBQOSA-N 1 0 383.923 3.981 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000741780489 866783793 /nfs/dbraw/zinc/78/37/93/866783793.db2.gz ZATGMPSXOUIGFM-GOSISDBHSA-N 1 0 385.508 3.658 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(C#N)cc3F)cc2)CC1 ZINC000741862220 866855438 /nfs/dbraw/zinc/85/54/38/866855438.db2.gz XELCOHXVTTWOJP-UHFFFAOYSA-N 1 0 398.507 3.570 20 30 GHEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000133176913 882031614 /nfs/dbraw/zinc/03/16/14/882031614.db2.gz QXFRPJOUOHSAQX-LJQANCHMSA-N 1 0 398.551 3.645 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000190623741 882032496 /nfs/dbraw/zinc/03/24/96/882032496.db2.gz XSQIZQAKRNLZDE-KBXCAEBGSA-N 1 0 385.414 3.611 20 30 GHEDRO C=CCN(CC(F)(F)F)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508505536 867115136 /nfs/dbraw/zinc/11/51/36/867115136.db2.gz VMPZSXGHSXATCD-OAHLLOKOSA-N 1 0 376.369 3.721 20 30 GHEDRO C[C@@H]1CN(c2ncc(Br)cc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC000324067642 867212253 /nfs/dbraw/zinc/21/22/53/867212253.db2.gz XKIGGJUDWBVNMB-HNNXBMFYSA-N 1 0 385.309 3.674 20 30 GHEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Cl ZINC000183693967 867276883 /nfs/dbraw/zinc/27/68/83/867276883.db2.gz YDSGBHJHHIXGAL-IBGZPJMESA-N 1 0 376.909 3.972 20 30 GHEDRO C[C@H](Oc1cccnc1NC(=O)N(CCC#N)CCC[NH+](C)C)c1ccccc1 ZINC000163226931 867305699 /nfs/dbraw/zinc/30/56/99/867305699.db2.gz JNAHNXRQRVHDNK-SFHVURJKSA-N 1 0 395.507 3.921 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000523450126 867335827 /nfs/dbraw/zinc/33/58/27/867335827.db2.gz IVALUHATFZJFEL-ZWKOTPCHSA-N 1 0 395.478 3.959 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000534753419 867373575 /nfs/dbraw/zinc/37/35/75/867373575.db2.gz BBNPRXYKSYMRKE-FOIQADDNSA-N 1 0 376.522 3.615 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3OC)C2)cc(OC)c1 ZINC000121506271 867380993 /nfs/dbraw/zinc/38/09/93/867380993.db2.gz AELISPDLGFVCMX-GOSISDBHSA-N 1 0 381.476 3.661 20 30 GHEDRO Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1NC(=O)OC(C)(C)C ZINC000742585021 867393016 /nfs/dbraw/zinc/39/30/16/867393016.db2.gz DLMRCVMIUAIEBP-UHFFFAOYSA-N 1 0 388.512 3.650 20 30 GHEDRO Cc1ccccc1OCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479274245 867501741 /nfs/dbraw/zinc/50/17/41/867501741.db2.gz DVAOZKLLWGISHT-UHFFFAOYSA-N 1 0 391.515 3.829 20 30 GHEDRO C[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000479306743 867513614 /nfs/dbraw/zinc/51/36/14/867513614.db2.gz CKGLCIDANZOUTJ-SFHVURJKSA-N 1 0 379.479 3.994 20 30 GHEDRO N#CC1(F)CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000479374980 867648722 /nfs/dbraw/zinc/64/87/22/867648722.db2.gz LNHDOQVJHYCUPO-QGZVFWFLSA-N 1 0 378.879 3.514 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)ccc1F ZINC000523633042 867657008 /nfs/dbraw/zinc/65/70/08/867657008.db2.gz WBGFRCSUMIDZQI-HNNXBMFYSA-N 1 0 388.393 3.762 20 30 GHEDRO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000183765301 867783261 /nfs/dbraw/zinc/78/32/61/867783261.db2.gz NEUONVCABROVCB-YADHBBJMSA-N 1 0 375.472 3.776 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000743197757 867945894 /nfs/dbraw/zinc/94/58/94/867945894.db2.gz IGLOMNOFCIWPAL-UHFFFAOYSA-N 1 0 381.451 3.624 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000479604051 868171864 /nfs/dbraw/zinc/17/18/64/868171864.db2.gz SRAHLDBQDFZPLF-NRFANRHFSA-N 1 0 398.551 3.513 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000479592242 868194114 /nfs/dbraw/zinc/19/41/14/868194114.db2.gz MYMRNGGTQKBPNT-QAPCUYQASA-N 1 0 390.409 3.718 20 30 GHEDRO COc1ccc(N2CCC[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC2)cc1 ZINC000744141142 868617139 /nfs/dbraw/zinc/61/71/39/868617139.db2.gz GRJJBJBJUAZOKG-UHFFFAOYSA-N 1 0 387.487 3.600 20 30 GHEDRO COc1cc(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)ccc1C#N ZINC000440809822 868666100 /nfs/dbraw/zinc/66/61/00/868666100.db2.gz BDHDKIFUTPFEQB-UHFFFAOYSA-N 1 0 376.504 3.711 20 30 GHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H]1[NH+]1CCCC1 ZINC000445607589 868711281 /nfs/dbraw/zinc/71/12/81/868711281.db2.gz LREYJEKAFAENCR-HZPDHXFCSA-N 1 0 390.915 3.915 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)C2=O)cc1 ZINC000029828322 868780521 /nfs/dbraw/zinc/78/05/21/868780521.db2.gz UEWIYDBIDRLGND-YLJYHZDGSA-N 1 0 386.455 3.684 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C#N ZINC000535471066 868824209 /nfs/dbraw/zinc/82/42/09/868824209.db2.gz YVXXIUOREZCEGF-AZUAARDMSA-N 1 0 392.528 3.728 20 30 GHEDRO NC(=[NH+]OCc1noc(-c2cccs2)n1)c1ccc(N2CCCCC2)cc1 ZINC000744445709 868847800 /nfs/dbraw/zinc/84/78/00/868847800.db2.gz HWUWEXXNTVQNNF-UHFFFAOYSA-N 1 0 383.477 3.626 20 30 GHEDRO C=CCC1(C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CCC1 ZINC000480024314 868893408 /nfs/dbraw/zinc/89/34/08/868893408.db2.gz SQGVMPNPGDWXSZ-UHFFFAOYSA-N 1 0 395.469 3.820 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000524453178 869102841 /nfs/dbraw/zinc/10/28/41/869102841.db2.gz QZBYRGSDXREFQV-OXQOHEQNSA-N 1 0 393.487 3.812 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccccc2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000776937312 882270629 /nfs/dbraw/zinc/27/06/29/882270629.db2.gz CSVSWPVGHHZKBH-AUSIDOKSSA-N 1 0 375.516 3.807 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000151528575 869197693 /nfs/dbraw/zinc/19/76/93/869197693.db2.gz UEAMYBWATRXTEH-KRWDZBQOSA-N 1 0 382.479 3.650 20 30 GHEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(-c3ccccc3C#N)cc1)CC2 ZINC000152877013 869574643 /nfs/dbraw/zinc/57/46/43/869574643.db2.gz UAMYRJONHRYVOC-GOTSBHOMSA-N 1 0 376.500 3.977 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1C ZINC000524880862 869726340 /nfs/dbraw/zinc/72/63/40/869726340.db2.gz LJXIFGJDUPRBJG-QFBILLFUSA-N 1 0 378.476 3.690 20 30 GHEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000539767774 869749417 /nfs/dbraw/zinc/74/94/17/869749417.db2.gz LZJSURZYDZWGSX-FQEVSTJZSA-N 1 0 387.487 3.992 20 30 GHEDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539824564 869831263 /nfs/dbraw/zinc/83/12/63/869831263.db2.gz ICUQPBRQFLSFMM-JOCHJYFZSA-N 1 0 390.483 3.912 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000745835219 869838085 /nfs/dbraw/zinc/83/80/85/869838085.db2.gz YCARIGUIKMPUDF-MAUKXSAKSA-N 1 0 382.533 3.911 20 30 GHEDRO COCC[NH+]1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 ZINC000920783932 882350919 /nfs/dbraw/zinc/35/09/19/882350919.db2.gz TWDMAMQABOQKQR-JOCHJYFZSA-N 1 0 392.503 3.574 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3Cn3cnc4ccccc43)o2)c1 ZINC000539882071 869964884 /nfs/dbraw/zinc/96/48/84/869964884.db2.gz IZLFXMRGIOJCJN-GOSISDBHSA-N 1 0 384.443 3.623 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)c2ccc(C#N)c(Cl)n2)C[N@@H+]1Cc1ccccc1 ZINC001127293926 882367810 /nfs/dbraw/zinc/36/78/10/882367810.db2.gz VUKYRXQFGCTINW-RDJZCZTQSA-N 1 0 382.895 3.637 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000746198710 870105524 /nfs/dbraw/zinc/10/55/24/870105524.db2.gz YRDOQMPLBVSHBG-YBNHLDJLSA-N 1 0 386.536 3.757 20 30 GHEDRO COc1ccc2c(c1)C[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C1CCCCC1)C2 ZINC000540052050 870309828 /nfs/dbraw/zinc/30/98/28/870309828.db2.gz FOIXHBNMZWVQKJ-JOCHJYFZSA-N 1 0 383.536 3.764 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000538692874 870316292 /nfs/dbraw/zinc/31/62/92/870316292.db2.gz RNZBJWCEICSLEB-INIZCTEOSA-N 1 0 378.476 3.548 20 30 GHEDRO Cc1ccc2c(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)coc2c1 ZINC000538693911 870318187 /nfs/dbraw/zinc/31/81/87/870318187.db2.gz RMIKMEXGCBZQCB-UHFFFAOYSA-N 1 0 387.483 3.958 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000538684834 870341280 /nfs/dbraw/zinc/34/12/80/870341280.db2.gz LXUJDGZWRPLEDI-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000525330594 870375103 /nfs/dbraw/zinc/37/51/03/870375103.db2.gz RZBGXLPFGZXQFM-UHFFFAOYSA-N 1 0 398.478 3.664 20 30 GHEDRO C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248551826 870484446 /nfs/dbraw/zinc/48/44/46/870484446.db2.gz GVOQAMCSXQQXOZ-DLONSHSGSA-N 1 0 388.600 3.548 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)o1 ZINC001192684629 870598772 /nfs/dbraw/zinc/59/87/72/870598772.db2.gz BHLZMVKFABGTQO-UHFFFAOYSA-N 1 0 377.366 3.564 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000525410491 870648225 /nfs/dbraw/zinc/64/82/25/870648225.db2.gz JBNGCAQNQDPSHT-LJQANCHMSA-N 1 0 379.504 3.542 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000775546789 870654245 /nfs/dbraw/zinc/65/42/45/870654245.db2.gz FZIZZCJZNRJAQK-PBHICJAKSA-N 1 0 394.393 3.742 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000525435395 870671576 /nfs/dbraw/zinc/67/15/76/870671576.db2.gz ACOJRIZHVSAPSX-UHFFFAOYSA-N 1 0 383.517 3.696 20 30 GHEDRO COC(=O)[C@@]1(NCc2ccc(C#N)cc2Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC000615227081 870792720 /nfs/dbraw/zinc/79/27/20/870792720.db2.gz TYAPEDNDPYGPEG-JOCHJYFZSA-N 1 0 397.906 3.509 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000540311254 870986950 /nfs/dbraw/zinc/98/69/50/870986950.db2.gz ROGRTBMJPOACOQ-OAQYLSRUSA-N 1 0 376.504 3.851 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)CCCCC2 ZINC000429713101 871030763 /nfs/dbraw/zinc/03/07/63/871030763.db2.gz VAMBASDCBCGUEZ-CWFSZBLJSA-N 1 0 399.560 3.764 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OC ZINC000540355346 871054383 /nfs/dbraw/zinc/05/43/83/871054383.db2.gz YPCICVUKNVMTCB-GCKMJXCFSA-N 1 0 375.513 3.578 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000540375355 871108944 /nfs/dbraw/zinc/10/89/44/871108944.db2.gz FSCKTUMLPJULTN-SFHVURJKSA-N 1 0 378.314 3.642 20 30 GHEDRO CCOC(=O)c1c2c(sc1NC(=O)CC(C)(C)C#N)C(C)(C)[NH2+]C(C)(C)C2 ZINC000447174109 871177891 /nfs/dbraw/zinc/17/78/91/871177891.db2.gz CZMQCXSJLPYPCF-UHFFFAOYSA-N 1 0 391.537 3.963 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000539052916 871182687 /nfs/dbraw/zinc/18/26/87/871182687.db2.gz AKFLUPRRMYDCFX-VHQZPVSYSA-N 1 0 389.543 3.616 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)CC1 ZINC000122354723 871256376 /nfs/dbraw/zinc/25/63/76/871256376.db2.gz BYWJYXWBGULUCY-UHFFFAOYSA-N 1 0 383.536 3.875 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000540459790 871315689 /nfs/dbraw/zinc/31/56/89/871315689.db2.gz QAFMTGNMDCKMFU-GGAORHGYSA-N 1 0 379.504 3.589 20 30 GHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1)CC(C)C ZINC000539113611 871332367 /nfs/dbraw/zinc/33/23/67/871332367.db2.gz CGTCWULNGBBWEM-UHFFFAOYSA-N 1 0 391.581 3.635 20 30 GHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1)CC(C)C ZINC000539113831 871332658 /nfs/dbraw/zinc/33/26/58/871332658.db2.gz OGQXPINKMPYXKS-UHFFFAOYSA-N 1 0 391.581 3.635 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N2CCCC2)o1 ZINC000181648394 871333257 /nfs/dbraw/zinc/33/32/57/871333257.db2.gz GVGZNEAHUBHQIM-HSZRJFAPSA-N 1 0 392.547 3.851 20 30 GHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)c2)cc1 ZINC000463301942 871373231 /nfs/dbraw/zinc/37/32/31/871373231.db2.gz QEDLWCMUAPCQPE-FUHWJXTLSA-N 1 0 399.516 3.668 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169300746 871395192 /nfs/dbraw/zinc/39/51/92/871395192.db2.gz ORQIEADMXNVCKN-HNYUPJOQSA-N 1 0 399.531 3.981 20 30 GHEDRO C=CCN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[C@@H](C)COC ZINC000667209918 871419719 /nfs/dbraw/zinc/41/97/19/871419719.db2.gz LNWNJGDHJSCBKI-HNNXBMFYSA-N 1 0 395.931 3.868 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N(C)CCOc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000525779178 871421612 /nfs/dbraw/zinc/42/16/12/871421612.db2.gz AISOELCTBRLXIH-UHFFFAOYSA-N 1 0 397.494 3.693 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000618241513 871439594 /nfs/dbraw/zinc/43/95/94/871439594.db2.gz ZMTVVZLFCDJGIP-HSZRJFAPSA-N 1 0 378.520 3.560 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1nc2ccccc2n1C ZINC000539200887 871488824 /nfs/dbraw/zinc/48/88/24/871488824.db2.gz FIJLNDAEYSZTGM-NVXWUHKLSA-N 1 0 377.467 3.904 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)c1)O[C@@H](C)C2 ZINC000525836203 871525185 /nfs/dbraw/zinc/52/51/85/871525185.db2.gz BKEQUTIHGQJXEY-VMEOHVCESA-N 1 0 393.487 3.765 20 30 GHEDRO Cc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000447402809 871539510 /nfs/dbraw/zinc/53/95/10/871539510.db2.gz AXZMTIWUQPJOEY-SFHVURJKSA-N 1 0 387.487 3.554 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000181892034 871586405 /nfs/dbraw/zinc/58/64/05/871586405.db2.gz QKJUUYKHWQVQNQ-NBGIEHNGSA-N 1 0 388.559 3.775 20 30 GHEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC(=O)NCc3ccc(C#N)cc3)cc2)cs1 ZINC000539279567 871626857 /nfs/dbraw/zinc/62/68/57/871626857.db2.gz JXRHUUAOSFKNNZ-HNNXBMFYSA-N 1 0 390.512 3.957 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000540597263 871662718 /nfs/dbraw/zinc/66/27/18/871662718.db2.gz NDNJUGXYBNVUDT-QZTJIDSGSA-N 1 0 397.544 3.830 20 30 GHEDRO C=CCC[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000539331903 871711309 /nfs/dbraw/zinc/71/13/09/871711309.db2.gz QCCDOEYWADLSBX-HNNXBMFYSA-N 1 0 383.414 3.633 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC001169677402 871744914 /nfs/dbraw/zinc/74/49/14/871744914.db2.gz ZYWDRMDIFLSEMW-QQFNCUIESA-N 1 0 387.483 3.727 20 30 GHEDRO COC(=O)Cc1cc(Cl)nc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)c1C#N ZINC001169683647 871751234 /nfs/dbraw/zinc/75/12/34/871751234.db2.gz BTEIJQYNOONXKR-MRXNPFEDSA-N 1 0 384.867 3.562 20 30 GHEDRO C#C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(Cl)cc1 ZINC000794060687 882552235 /nfs/dbraw/zinc/55/22/35/882552235.db2.gz RERBRYGCLVVOKR-JOCHJYFZSA-N 1 0 396.918 3.649 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)cc1 ZINC000525981741 871857040 /nfs/dbraw/zinc/85/70/40/871857040.db2.gz ASYDXKMRBRVQBA-UHFFFAOYSA-N 1 0 398.551 3.767 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1-n1ccnn1 ZINC000552042518 871922478 /nfs/dbraw/zinc/92/24/78/871922478.db2.gz KTGRDSKCWKOVTF-SJLPKXTDSA-N 1 0 390.466 3.598 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000921075332 882562339 /nfs/dbraw/zinc/56/23/39/882562339.db2.gz KBVQWCWCKLXXEO-HUUCEWRRSA-N 1 0 394.357 3.872 20 30 GHEDRO [NH3+]C1(CC2CCC2)CCN(C(=O)c2ccc(C#CBr)cc2)CC1 ZINC001194827785 871974974 /nfs/dbraw/zinc/97/49/74/871974974.db2.gz SAYAXBSPXYJUOV-UHFFFAOYSA-N 1 0 375.310 3.514 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccsc1 ZINC000618797765 872004125 /nfs/dbraw/zinc/00/41/25/872004125.db2.gz UTMNZVRNCZXIOI-PMACEKPBSA-N 1 0 382.533 3.989 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000618803781 872011336 /nfs/dbraw/zinc/01/13/36/872011336.db2.gz IRYUWWYGKDNQBG-KUHUBIRLSA-N 1 0 379.460 3.570 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000618804885 872014439 /nfs/dbraw/zinc/01/44/39/872014439.db2.gz MWSLTAMMUQTXDB-LEWJYISDSA-N 1 0 377.488 3.753 20 30 GHEDRO CCN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618849115 872072181 /nfs/dbraw/zinc/07/21/81/872072181.db2.gz MIKPHINDWJEAMG-JTHBVZDNSA-N 1 0 388.515 3.852 20 30 GHEDRO C=CCCOc1ccc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC001195142352 872196964 /nfs/dbraw/zinc/19/69/64/872196964.db2.gz OVWSMUIHIREDBP-UHFFFAOYSA-N 1 0 379.504 3.679 20 30 GHEDRO COc1cccc([C@H](CNc2ccc(C(F)(F)F)c(C#N)n2)[NH+]2CCCC2)c1 ZINC000443409078 872243200 /nfs/dbraw/zinc/24/32/00/872243200.db2.gz VSZDPTDWLXYOEJ-SFHVURJKSA-N 1 0 390.409 3.652 20 30 GHEDRO N#CCC[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000526862306 872252656 /nfs/dbraw/zinc/25/26/56/872252656.db2.gz XIYLHGPQJOFHSW-XPWALMASSA-N 1 0 388.515 3.805 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C1CCCCC1 ZINC000552259499 872315494 /nfs/dbraw/zinc/31/54/94/872315494.db2.gz IQCYBQXPORDLFE-OALUTQOASA-N 1 0 375.463 3.732 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccccc1 ZINC000022795977 872386606 /nfs/dbraw/zinc/38/66/06/872386606.db2.gz ZDEFSKRXYZNVBQ-UHFFFAOYSA-O 1 0 390.326 3.841 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022803427 872400235 /nfs/dbraw/zinc/40/02/35/872400235.db2.gz OIVWVYHWJITJSR-UHFFFAOYSA-O 1 0 376.933 3.632 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000478049131 872423731 /nfs/dbraw/zinc/42/37/31/872423731.db2.gz XUJHXPJFRWMUEY-NHCUHLMSSA-N 1 0 384.568 3.602 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCc2ccccc2)C2CCCC2)cc1 ZINC000478051162 872429242 /nfs/dbraw/zinc/42/92/42/872429242.db2.gz ADZRCUHSMIRLQR-UHFFFAOYSA-N 1 0 382.529 3.819 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](CCCO)Cc3cccc(Cl)c3)C2=O)cc1 ZINC000447888248 872477155 /nfs/dbraw/zinc/47/71/55/872477155.db2.gz JGSCJSSFDOWUIY-NRFANRHFSA-N 1 0 397.906 3.592 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1C#N ZINC000128146542 872505459 /nfs/dbraw/zinc/50/54/59/872505459.db2.gz KKROXSAIAAMTPZ-CQSZACIVSA-N 1 0 399.564 3.898 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000767425750 872511807 /nfs/dbraw/zinc/51/18/07/872511807.db2.gz MORGQCJMZDEFHY-UGSOOPFHSA-N 1 0 375.266 3.563 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC000619295400 872518358 /nfs/dbraw/zinc/51/83/58/872518358.db2.gz HYBQRPHWPUOVFP-SZPZYZBQSA-N 1 0 397.526 3.616 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2cccc(CC#N)c2)CCCC1)c1ccccc1 ZINC000619482818 872679691 /nfs/dbraw/zinc/67/96/91/872679691.db2.gz FFZQHJQXUCGZLL-GOSISDBHSA-N 1 0 397.544 3.695 20 30 GHEDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000857927723 882644636 /nfs/dbraw/zinc/64/46/36/882644636.db2.gz VYUJWIBMFDDOJG-IBGZPJMESA-N 1 0 386.455 3.736 20 30 GHEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000619611760 872784743 /nfs/dbraw/zinc/78/47/43/872784743.db2.gz QCPFYSMJGSVVHQ-WOJBJXKFSA-N 1 0 387.483 3.688 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000619624055 872806427 /nfs/dbraw/zinc/80/64/27/872806427.db2.gz XZZQTRUERSSQHC-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000619624870 872809537 /nfs/dbraw/zinc/80/95/37/872809537.db2.gz NUCOLNVFSUKLRC-UHFFFAOYSA-N 1 0 379.464 3.695 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000478324307 872839599 /nfs/dbraw/zinc/83/95/99/872839599.db2.gz OIXQYMNLMKVIBC-SFHVURJKSA-N 1 0 379.552 3.949 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000767876000 872930235 /nfs/dbraw/zinc/93/02/35/872930235.db2.gz NNURCFFVHSQARM-MRXNPFEDSA-N 1 0 379.426 3.837 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=S)Nc3ccccc3C#N)c2)CC1 ZINC000767917596 872935361 /nfs/dbraw/zinc/93/53/61/872935361.db2.gz ZBMYOQDVOPKARF-UHFFFAOYSA-N 1 0 379.533 3.898 20 30 GHEDRO C[N@H+](Cc1cccc(F)c1)C1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC001196312738 873005770 /nfs/dbraw/zinc/00/57/70/873005770.db2.gz FKGGYHGEDOAQKA-UHFFFAOYSA-N 1 0 382.508 3.991 20 30 GHEDRO C=CC[C@H]([NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccncc1 ZINC000768222096 873175104 /nfs/dbraw/zinc/17/51/04/873175104.db2.gz DNIHUCQSDZIBNS-YUXAGFNASA-N 1 0 395.503 3.715 20 30 GHEDRO COc1cc(OC)cc([C@@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000768404876 873272936 /nfs/dbraw/zinc/27/29/36/873272936.db2.gz ZDKGDRXVKLRNIT-UTCTYZAISA-N 1 0 380.488 3.731 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)c1 ZINC000768448327 873311260 /nfs/dbraw/zinc/31/12/60/873311260.db2.gz UJKPJWQSMWIPJR-UHFFFAOYSA-N 1 0 389.499 3.993 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)cc(OC)c1O ZINC000527589166 873327491 /nfs/dbraw/zinc/32/74/91/873327491.db2.gz XNPFOIXMEBJVNW-UHFFFAOYSA-N 1 0 398.503 3.734 20 30 GHEDRO N#Cc1cc2c(nc1NCc1ccc(N3CC[NH+](CC4CC4)CC3)cc1)CCC2 ZINC000768528434 873362934 /nfs/dbraw/zinc/36/29/34/873362934.db2.gz QBBGWSKVAHEWIB-UHFFFAOYSA-N 1 0 387.531 3.586 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013014 882719144 /nfs/dbraw/zinc/71/91/44/882719144.db2.gz FWWMMGVYCRPTMP-SFHVURJKSA-N 1 0 396.516 3.764 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000448466951 873424176 /nfs/dbraw/zinc/42/41/76/873424176.db2.gz OSMDZBZSTSDAST-GOSISDBHSA-N 1 0 395.469 3.724 20 30 GHEDRO COc1ccc([C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cn1 ZINC000527844503 873667983 /nfs/dbraw/zinc/66/79/83/873667983.db2.gz ZODSDQFQPBTKTM-HSZRJFAPSA-N 1 0 376.504 3.667 20 30 GHEDRO CCc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCOC)ccc1C#N ZINC001197308694 873698001 /nfs/dbraw/zinc/69/80/01/873698001.db2.gz XCNYUFRHGMHQGF-OAQYLSRUSA-N 1 0 399.922 3.823 20 30 GHEDRO C=CCCC[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1ccccc1 ZINC001197377354 873785516 /nfs/dbraw/zinc/78/55/16/873785516.db2.gz LWSHMWUMEGSTNO-JOCHJYFZSA-N 1 0 381.520 3.611 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(C#N)c1Br)C1CCCCC1 ZINC000448699420 873794151 /nfs/dbraw/zinc/79/41/51/873794151.db2.gz TYGXLQMCJVNYJX-MRXNPFEDSA-N 1 0 378.314 3.561 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000134176543 882770089 /nfs/dbraw/zinc/77/00/89/882770089.db2.gz HAGBTYFYPJHKCF-AEFFLSMTSA-N 1 0 392.425 3.587 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000769231633 873907477 /nfs/dbraw/zinc/90/74/77/873907477.db2.gz CQKMUMNZNBIVSC-UHFFFAOYSA-N 1 0 387.483 3.811 20 30 GHEDRO Cc1ccc(C[NH+]2CCC(NC(=S)Nc3cccc(C#N)c3)CC2)c(F)c1 ZINC001197736097 874016749 /nfs/dbraw/zinc/01/67/49/874016749.db2.gz LBNMOTJWGXBGJP-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000769391055 874017693 /nfs/dbraw/zinc/01/76/93/874017693.db2.gz XSHCLXGWBTUUMC-QGZVFWFLSA-N 1 0 376.497 3.531 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000464561946 874080345 /nfs/dbraw/zinc/08/03/45/874080345.db2.gz YNWMVPPEHYAKRE-PGRDOPGGSA-N 1 0 376.504 3.570 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)C2)nc1 ZINC000428812451 874112812 /nfs/dbraw/zinc/11/28/12/874112812.db2.gz YUBXRQCRXYQJFU-QFIPXVFZSA-N 1 0 386.455 3.581 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@H]4CCc5cc(F)ccc5C4)C3)CC2=O)c1 ZINC001168438944 874192552 /nfs/dbraw/zinc/19/25/52/874192552.db2.gz PGFSTRVYWJDHJW-URXFXBBRSA-N 1 0 389.474 3.684 20 30 GHEDRO C=CCOc1ccc(CC(=O)NCc2ccnc(N3CCCCCC3)c2)cc1 ZINC000448930126 874220329 /nfs/dbraw/zinc/22/03/29/874220329.db2.gz WLUBVIBQSOEPOU-UHFFFAOYSA-N 1 0 379.504 3.886 20 30 GHEDRO CCC[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000775822129 874237012 /nfs/dbraw/zinc/23/70/12/874237012.db2.gz LZZAHOKEUCMBEW-JOCHJYFZSA-N 1 0 391.515 3.645 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000448953645 874251239 /nfs/dbraw/zinc/25/12/39/874251239.db2.gz TZRHDODVPNFMCX-QFIPXVFZSA-N 1 0 393.531 3.702 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(C#N)c1Br)[N@H+](C)Cc1ccccc1 ZINC000448958012 874285098 /nfs/dbraw/zinc/28/50/98/874285098.db2.gz VJONASWEPXJKLF-CQSZACIVSA-N 1 0 386.293 3.571 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833469 874302919 /nfs/dbraw/zinc/30/29/19/874302919.db2.gz JPCWOWCKAVIPLZ-LJQANCHMSA-N 1 0 378.520 3.967 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000528298255 874356815 /nfs/dbraw/zinc/35/68/15/874356815.db2.gz DZQVDCXANPGMAF-LEWJYISDSA-N 1 0 395.551 3.662 20 30 GHEDRO C=CCSCCNC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000541902340 874521160 /nfs/dbraw/zinc/52/11/60/874521160.db2.gz DIEWGYYVYGGARL-UHFFFAOYSA-N 1 0 382.961 3.523 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000449162195 874558725 /nfs/dbraw/zinc/55/87/25/874558725.db2.gz IGYHUOZNKIHNMA-MHIUNMELSA-N 1 0 375.516 3.976 20 30 GHEDRO CCCCCCCOc1cccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000770327234 874602123 /nfs/dbraw/zinc/60/21/23/874602123.db2.gz XDXUCKLPDYMIJF-UHFFFAOYSA-N 1 0 396.597 3.892 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)ccc1OC ZINC000237374004 882844620 /nfs/dbraw/zinc/84/46/20/882844620.db2.gz NJCLYAWLKHVUKA-SFHVURJKSA-N 1 0 396.487 3.554 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+]C3CCC(C)(C#N)CC3)C2=O)ccc1Br ZINC000449254079 874634166 /nfs/dbraw/zinc/63/41/66/874634166.db2.gz WSMKJZXBQDHDDV-KGYZHSKHSA-N 1 0 390.325 3.925 20 30 GHEDRO C[N@H+](CCOCc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000464856644 874653169 /nfs/dbraw/zinc/65/31/69/874653169.db2.gz ZHQPJQSIUOSQCA-UHFFFAOYSA-N 1 0 383.517 3.586 20 30 GHEDRO COc1cccc2c(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cccc12 ZINC000449281920 874666789 /nfs/dbraw/zinc/66/67/89/874666789.db2.gz DZSGCGRFGKMLES-QFIPXVFZSA-N 1 0 385.467 3.611 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@@H+](CCc2cccc(F)c2)C2CCCC2)c1 ZINC000464879324 874673189 /nfs/dbraw/zinc/67/31/89/874673189.db2.gz NEIWYNCKXIPPMK-UHFFFAOYSA-N 1 0 379.479 3.801 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000528507004 874678196 /nfs/dbraw/zinc/67/81/96/874678196.db2.gz NAFJFSYRBDQZHH-XMSQKQJNSA-N 1 0 386.442 3.860 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccc3c(c2)COC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001198878976 874694686 /nfs/dbraw/zinc/69/46/86/874694686.db2.gz YKXBKSUFOBMSPG-HZCBDIJESA-N 1 0 375.472 3.501 20 30 GHEDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000541982983 874704741 /nfs/dbraw/zinc/70/47/41/874704741.db2.gz DHWDMSVIPNJBGT-JXFKEZNVSA-N 1 0 397.544 3.762 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001198957007 874727375 /nfs/dbraw/zinc/72/73/75/874727375.db2.gz JBKPPWOFRUOBSC-LJQANCHMSA-N 1 0 378.476 3.661 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528582298 874741036 /nfs/dbraw/zinc/74/10/36/874741036.db2.gz OHJHJTYNFLPCIV-QGZVFWFLSA-N 1 0 388.556 3.795 20 30 GHEDRO Cc1nccc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000609144513 874838133 /nfs/dbraw/zinc/83/81/33/874838133.db2.gz SVKYIZKDCWBFML-MRXNPFEDSA-N 1 0 383.883 3.518 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000464961445 874859892 /nfs/dbraw/zinc/85/98/92/874859892.db2.gz ILBCKPXBRSOBGA-HXUWFJFHSA-N 1 0 393.535 3.637 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445625 874866333 /nfs/dbraw/zinc/86/63/33/874866333.db2.gz KUPVYOCUKWHFOJ-RCBQFDQVSA-N 1 0 391.537 3.931 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000770806414 874877642 /nfs/dbraw/zinc/87/76/42/874877642.db2.gz WMXDLXFTJKMRJR-KRWDZBQOSA-N 1 0 378.472 3.574 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000542151742 875044094 /nfs/dbraw/zinc/04/40/94/875044094.db2.gz NMZZBJIGVMDYRX-HOTGVXAUSA-N 1 0 390.487 3.975 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc1F ZINC000542210656 875187131 /nfs/dbraw/zinc/18/71/31/875187131.db2.gz WLWZTUSGGFYCDV-UHFFFAOYSA-N 1 0 379.479 3.729 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1OC ZINC000449655190 875187764 /nfs/dbraw/zinc/18/77/64/875187764.db2.gz GPYMKAIPIAELHO-JRGCBEDISA-N 1 0 385.508 3.743 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)c2)c1 ZINC000449665228 875210866 /nfs/dbraw/zinc/21/08/66/875210866.db2.gz CGDVSUHKHZNYAE-UYAOXDASSA-N 1 0 390.405 3.882 20 30 GHEDRO CN(C(=O)/C=C\c1ccccc1C#N)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000771445321 875272431 /nfs/dbraw/zinc/27/24/31/875272431.db2.gz ITEDBWBAMHYWNW-JYRVWZFOSA-N 1 0 375.472 3.709 20 30 GHEDRO CC1(C#N)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CC1 ZINC000528991669 875406766 /nfs/dbraw/zinc/40/67/66/875406766.db2.gz ULDPQLCUMPMMMR-RTBURBONSA-N 1 0 394.544 3.511 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC001203960322 875455661 /nfs/dbraw/zinc/45/56/61/875455661.db2.gz ABZMQNNLNHNXTM-ZBFHGGJFSA-N 1 0 379.298 3.921 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C2CC2)cc1F ZINC000491363661 875641070 /nfs/dbraw/zinc/64/10/70/875641070.db2.gz WVHQUSVXNCUANW-UHFFFAOYSA-N 1 0 394.494 3.848 20 30 GHEDRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000776170035 875688558 /nfs/dbraw/zinc/68/85/58/875688558.db2.gz HKPFHVDZWSKYOG-ZDUSSCGKSA-N 1 0 398.406 3.581 20 30 GHEDRO Cc1sc2ncn(N=Cc3c[nH+]ccc3N(C)C)c(=O)c2c1-c1ccccc1 ZINC000776178933 875694070 /nfs/dbraw/zinc/69/40/70/875694070.db2.gz IVHUEFHJMZDAEK-UHFFFAOYSA-N 1 0 389.484 3.777 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCCc4ccccc4)C3)C2)n1 ZINC001201656490 875817748 /nfs/dbraw/zinc/81/77/48/875817748.db2.gz WJPYMQIEXMSMDD-DEOSSOPVSA-N 1 0 390.531 3.505 20 30 GHEDRO COCc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C#N ZINC000529215601 875844715 /nfs/dbraw/zinc/84/47/15/875844715.db2.gz FNJZTVBQLLCBQO-UHFFFAOYSA-N 1 0 378.476 3.622 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@H]2C(=O)N(Cc3ccc(OC)cc3)CCO[C@H]2C1 ZINC001201762920 875846935 /nfs/dbraw/zinc/84/69/35/875846935.db2.gz ZQRCPRVAJIJAGC-YADHBBJMSA-N 1 0 388.552 3.715 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001201874877 875918916 /nfs/dbraw/zinc/91/89/16/875918916.db2.gz KIZGPJSGTRIBIA-IRFCIJBXSA-N 1 0 391.556 3.882 20 30 GHEDRO CC(C)COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001201962923 875956068 /nfs/dbraw/zinc/95/60/68/875956068.db2.gz IXLXBRHESLXQFH-QFIPXVFZSA-N 1 0 377.488 3.878 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2c(C)cccc2C)cc1 ZINC000151906943 876089336 /nfs/dbraw/zinc/08/93/36/876089336.db2.gz VBSWHJFMMKMKQQ-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO COc1cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000549971154 876098919 /nfs/dbraw/zinc/09/89/19/876098919.db2.gz MYEYNDTXQHFEGV-HDICACEKSA-N 1 0 379.504 3.670 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cccc(C#N)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000450250854 876145027 /nfs/dbraw/zinc/14/50/27/876145027.db2.gz OIJIWHGVUDSGSI-IYBDPMFKSA-N 1 0 380.448 3.688 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1OC ZINC001202428734 876220110 /nfs/dbraw/zinc/22/01/10/876220110.db2.gz XLRGZSGHAZHUTJ-DLBZAZTESA-N 1 0 380.488 3.716 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000529676894 876510267 /nfs/dbraw/zinc/51/02/67/876510267.db2.gz LFBGLTAWVBWLMB-UMTXDNHDSA-N 1 0 380.513 3.623 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786173266 876543752 /nfs/dbraw/zinc/54/37/52/876543752.db2.gz YEFUSJAUMLVMTO-OAHLLOKOSA-N 1 0 375.538 3.814 20 30 GHEDRO CC[C@H](C(=O)OC[C@@H](C#N)Cc1ccccc1Br)[NH+](CC)CC ZINC000786639520 876860509 /nfs/dbraw/zinc/86/05/09/876860509.db2.gz MQCNSTSCJBLCDH-RHSMWYFYSA-N 1 0 381.314 3.795 20 30 GHEDRO Fc1cc(Cl)ccc1C(Cc1ccccn1)=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000787162119 877210145 /nfs/dbraw/zinc/21/01/45/877210145.db2.gz HTSKZSXYYXBUHY-QZTJIDSGSA-N 1 0 385.874 3.681 20 30 GHEDRO N#CC1(CC(=O)OCC[NH+](Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000850857591 877233635 /nfs/dbraw/zinc/23/36/35/877233635.db2.gz AGBYQBXYTQBHFR-UHFFFAOYSA-N 1 0 392.499 3.942 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c2ccccc21 ZINC000174844283 877284348 /nfs/dbraw/zinc/28/43/48/877284348.db2.gz PAYRKPXTFRFMKS-LJQANCHMSA-N 1 0 378.520 3.688 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1CC[NH+](C)CC1 ZINC000610027991 877317477 /nfs/dbraw/zinc/31/74/77/877317477.db2.gz UQGOUJVAWDLZEZ-OAHLLOKOSA-N 1 0 379.464 3.597 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](CCC#N)CC(C)C)c1C#N ZINC000746672744 877323464 /nfs/dbraw/zinc/32/34/64/877323464.db2.gz IBNMDLBMEPRHMQ-UHFFFAOYSA-N 1 0 395.507 3.818 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000121599928 877341638 /nfs/dbraw/zinc/34/16/38/877341638.db2.gz RIRILOPUEPMNCO-WBVHZDCISA-N 1 0 379.426 3.898 20 30 GHEDRO CC(C)([C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000530292251 877456693 /nfs/dbraw/zinc/45/66/93/877456693.db2.gz PYQIAYVQIFFRJY-IBGZPJMESA-N 1 0 384.430 3.577 20 30 GHEDRO Cc1cc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)ccc1C#N ZINC000443995016 877486210 /nfs/dbraw/zinc/48/62/10/877486210.db2.gz MDPMYQWCIAPTFJ-UHFFFAOYSA-N 1 0 385.471 3.873 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)C1 ZINC000451186985 877546915 /nfs/dbraw/zinc/54/69/15/877546915.db2.gz FUFPNIIJFSPDPT-BFYDXBDKSA-N 1 0 380.273 3.848 20 30 GHEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000667002621 877555045 /nfs/dbraw/zinc/55/50/45/877555045.db2.gz SSBGTKISTZJRRJ-JOCHJYFZSA-N 1 0 385.552 3.538 20 30 GHEDRO CC[N@H+](CCCC(=O)NCc1ccc(C#N)c(F)c1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183056214 912251961 /nfs/dbraw/zinc/25/19/61/912251961.db2.gz BJBHMKPUTPCADW-KRWDZBQOSA-N 1 0 397.494 3.752 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccccc1C ZINC000031003034 877719350 /nfs/dbraw/zinc/71/93/50/877719350.db2.gz UQYBGVJYPSBHRV-UHFFFAOYSA-N 1 0 384.505 3.608 20 30 GHEDRO CC(C)[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCCC1 ZINC000477496321 877735194 /nfs/dbraw/zinc/73/51/94/877735194.db2.gz FWINKSLZQWAPRT-CBNMVNINSA-N 1 0 398.551 3.668 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000179639410 877810519 /nfs/dbraw/zinc/81/05/19/877810519.db2.gz LFFNGLKUONYIAD-UHFFFAOYSA-N 1 0 385.515 3.667 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000245453493 877904332 /nfs/dbraw/zinc/90/43/32/877904332.db2.gz RFDBNENMRDUAAQ-QZTJIDSGSA-N 1 0 388.581 3.683 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000851904867 877969955 /nfs/dbraw/zinc/96/99/55/877969955.db2.gz DMEDLUYPQSQSFD-ICSRJNTNSA-N 1 0 392.421 3.675 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C12CCC2 ZINC000451472644 878019817 /nfs/dbraw/zinc/01/98/17/878019817.db2.gz LGDYYBOYSAGIJK-MSOLQXFVSA-N 1 0 387.549 3.764 20 30 GHEDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451521726 878083354 /nfs/dbraw/zinc/08/33/54/878083354.db2.gz FKYQGJSOENDWTG-CRAIPNDOSA-N 1 0 389.565 3.964 20 30 GHEDRO C=CCOc1ccc(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000451542859 878106468 /nfs/dbraw/zinc/10/64/68/878106468.db2.gz AKJUXYQWORLIHL-UHFFFAOYSA-N 1 0 394.515 3.583 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]C1(c3ccc(C#N)cc3)CCC1)O2 ZINC000852217963 878149089 /nfs/dbraw/zinc/14/90/89/878149089.db2.gz OXGOAIHXKNVQLQ-IBGZPJMESA-N 1 0 397.519 3.696 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460572505 878177511 /nfs/dbraw/zinc/17/75/11/878177511.db2.gz JENSNPPQCOHHSA-FPOVZHCZSA-N 1 0 397.567 3.738 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000852301703 878215036 /nfs/dbraw/zinc/21/50/36/878215036.db2.gz WDAPAQPSDWMDEC-LJQANCHMSA-N 1 0 384.524 3.812 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3ccc(OCC#N)cc3)cc2)CC1 ZINC000110622006 878330416 /nfs/dbraw/zinc/33/04/16/878330416.db2.gz JAOVKAFIKOXDDR-UHFFFAOYSA-N 1 0 391.515 3.680 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c(C#N)c1C ZINC000451705159 878341483 /nfs/dbraw/zinc/34/14/83/878341483.db2.gz HYHIBNUFOSQNBB-WMZOPIPTSA-N 1 0 394.519 3.549 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1F ZINC000852476200 878360217 /nfs/dbraw/zinc/36/02/17/878360217.db2.gz HTWORVFSCCKEFI-SJLPKXTDSA-N 1 0 397.416 3.853 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000852591850 878445284 /nfs/dbraw/zinc/44/52/84/878445284.db2.gz ARTGVAYPYRXTRE-NQIIRXRSSA-N 1 0 390.487 3.505 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000180067241 878461024 /nfs/dbraw/zinc/46/10/24/878461024.db2.gz FSHFJWLYNDLOQZ-RTWAWAEBSA-N 1 0 376.460 3.666 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000852729159 878556279 /nfs/dbraw/zinc/55/62/79/878556279.db2.gz LHSMNMIXAQNYPF-LEWJYISDSA-N 1 0 385.895 3.888 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460809740 878639458 /nfs/dbraw/zinc/63/94/58/878639458.db2.gz OEHASCMBODUYEF-UHFFFAOYSA-N 1 0 390.535 3.572 20 30 GHEDRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852907476 878655289 /nfs/dbraw/zinc/65/52/89/878655289.db2.gz LPICRGNHQYDPOY-FQEVSTJZSA-N 1 0 394.437 3.512 20 30 GHEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000452036652 878862447 /nfs/dbraw/zinc/86/24/47/878862447.db2.gz RNUCBNGKDYTZGY-RTBURBONSA-N 1 0 377.916 3.832 20 30 GHEDRO C[NH+](C)C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1cc(F)c(F)c(F)c1 ZINC000853210915 878892456 /nfs/dbraw/zinc/89/24/56/878892456.db2.gz KCJRIBSPJLCAGF-SFHVURJKSA-N 1 0 376.378 3.754 20 30 GHEDRO CC[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[NH+](CC)CC ZINC000531047520 879012224 /nfs/dbraw/zinc/01/22/24/879012224.db2.gz UWGVODLOASBLHO-HNNXBMFYSA-N 1 0 389.550 3.761 20 30 GHEDRO CCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000853772572 879274309 /nfs/dbraw/zinc/27/43/09/879274309.db2.gz JJZOQGMLVDELEB-GOSISDBHSA-N 1 0 382.533 3.912 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000538393405 879412499 /nfs/dbraw/zinc/41/24/99/879412499.db2.gz XOHPGBYMQWXAAL-HNNXBMFYSA-N 1 0 397.350 3.514 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCC(Oc3ccc(C#N)cn3)CC1)O[C@H](C)C2 ZINC000538429155 879463490 /nfs/dbraw/zinc/46/34/90/879463490.db2.gz NCJKISOBOYBIIR-APMMTJHUSA-N 1 0 393.487 3.765 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000790228756 879558277 /nfs/dbraw/zinc/55/82/77/879558277.db2.gz ZJGMDAZSAZWACU-UHFFFAOYSA-N 1 0 386.417 3.969 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000181062486 879644447 /nfs/dbraw/zinc/64/44/47/879644447.db2.gz HUFDWEPGDHYFAI-UHFFFAOYSA-N 1 0 385.455 3.658 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000493804798 879647454 /nfs/dbraw/zinc/64/74/54/879647454.db2.gz BGODZBLRACMQAO-LJQANCHMSA-N 1 0 375.561 3.672 20 30 GHEDRO C=CCNC(=O)C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000538533619 879670491 /nfs/dbraw/zinc/67/04/91/879670491.db2.gz PNDPOUMTXOHYBF-UHFFFAOYSA-N 1 0 379.287 3.964 20 30 GHEDRO C=CCn1c(=O)c2c3c(sc2nc1SCC[NH+]1CCCCC1)CCC3 ZINC000493993543 879798667 /nfs/dbraw/zinc/79/86/67/879798667.db2.gz OONNQTDXKZTNGP-UHFFFAOYSA-N 1 0 375.563 3.711 20 30 GHEDRO C=C(CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461415186 879811448 /nfs/dbraw/zinc/81/14/48/879811448.db2.gz DUPYWXDYZBWAIW-XZOQPEGZSA-N 1 0 375.516 3.863 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC000461455964 879866764 /nfs/dbraw/zinc/86/67/64/879866764.db2.gz MNYGYUQYCIKLOB-VXKWHMMOSA-N 1 0 385.511 3.570 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](CCOc2ccccc2)CC1 ZINC000461459387 879874297 /nfs/dbraw/zinc/87/42/97/879874297.db2.gz ABIJYGZPADRBLQ-UHFFFAOYSA-N 1 0 390.462 3.755 20 30 GHEDRO COc1ccccc1[C@@H](CNc1c(C#N)cnc2c(C)cc(F)cc21)[NH+](C)C ZINC000461466649 879885148 /nfs/dbraw/zinc/88/51/48/879885148.db2.gz YTSKFGDKNWWJAM-LJQANCHMSA-N 1 0 378.451 3.699 20 30 GHEDRO N#CCn1c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc2ccccc21 ZINC000609166224 879964488 /nfs/dbraw/zinc/96/44/88/879964488.db2.gz KRXVKFVMZQXZCZ-UHFFFAOYSA-N 1 0 378.520 3.893 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000790738587 879971412 /nfs/dbraw/zinc/97/14/12/879971412.db2.gz HVRCIFGCGSIXRJ-UHFFFAOYSA-N 1 0 378.438 3.970 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000854664149 879988689 /nfs/dbraw/zinc/98/86/89/879988689.db2.gz NZVHJFYGXHMATB-UHFFFAOYSA-N 1 0 398.322 3.661 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1nc(C2CCOCC2)cs1)C(C)C ZINC000494164790 879989475 /nfs/dbraw/zinc/98/94/75/879989475.db2.gz RTNFMRJOWQKDBD-SFHVURJKSA-N 1 0 392.569 3.857 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1nc(C2CCOCC2)cs1)C(C)C ZINC000494164789 879989554 /nfs/dbraw/zinc/98/95/54/879989554.db2.gz RTNFMRJOWQKDBD-GOSISDBHSA-N 1 0 392.569 3.857 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000140777754 880033461 /nfs/dbraw/zinc/03/34/61/880033461.db2.gz HSTGRGQVXBIZPX-ZWKOTPCHSA-N 1 0 375.538 3.766 20 30 GHEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000112694870 880088311 /nfs/dbraw/zinc/08/83/11/880088311.db2.gz VXTAHGKMDKVGOA-QFIPXVFZSA-N 1 0 390.487 3.609 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978566 880255460 /nfs/dbraw/zinc/25/54/60/880255460.db2.gz YSRGAYZGJYXZHV-FQEVSTJZSA-N 1 0 398.466 3.841 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cc(C4(C#N)CC4)ccn3)nc3ccc(C)cc3n12 ZINC001170152137 880306325 /nfs/dbraw/zinc/30/63/25/880306325.db2.gz UOPSGRAJSADZBQ-UHFFFAOYSA-N 1 0 397.486 3.546 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC000113327935 880517238 /nfs/dbraw/zinc/51/72/38/880517238.db2.gz UIQMFKOBZNNYPO-FQEVSTJZSA-N 1 0 378.516 3.599 20 30 GHEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000185830093 880704223 /nfs/dbraw/zinc/70/42/23/880704223.db2.gz RAWYMBGTXYKSKA-HIFRSBDPSA-N 1 0 399.354 3.673 20 30 GHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000453286486 880727567 /nfs/dbraw/zinc/72/75/67/880727567.db2.gz JPZBMEILWPYKSL-LNLFQRSKSA-N 1 0 375.538 3.594 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531970959 880848784 /nfs/dbraw/zinc/84/87/84/880848784.db2.gz LXDYQCGCTRXRAL-HNAYVOBHSA-N 1 0 398.457 3.812 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000453445786 880911276 /nfs/dbraw/zinc/91/12/76/880911276.db2.gz VBJCIWMBUMPYAN-TZIWHRDSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453467831 880973399 /nfs/dbraw/zinc/97/33/99/880973399.db2.gz RXYYYBJSYRVYBU-FPOVZHCZSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000453472351 880986776 /nfs/dbraw/zinc/98/67/76/880986776.db2.gz WRUCMVFKFQUJCD-PCODVIEZSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccccc1 ZINC000186822034 880995579 /nfs/dbraw/zinc/99/55/79/880995579.db2.gz IZJIAQXSKTVLPJ-QFIPXVFZSA-N 1 0 391.515 3.682 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792500297 881125947 /nfs/dbraw/zinc/12/59/47/881125947.db2.gz YYXXROOBGQLBRP-IBGZPJMESA-N 1 0 386.417 3.695 20 30 GHEDRO CCc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000919943865 881221282 /nfs/dbraw/zinc/22/12/82/881221282.db2.gz QEICAPXTPKYZSI-UHFFFAOYSA-N 1 0 378.520 3.841 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(C#N)cc1 ZINC001170234381 881240409 /nfs/dbraw/zinc/24/04/09/881240409.db2.gz TWZDUYCAFPTAIR-BPXKWBHBSA-N 1 0 385.508 3.625 20 30 GHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000453671959 881265820 /nfs/dbraw/zinc/26/58/20/881265820.db2.gz NRSGODXHAKDAHT-FGZHOGPDSA-N 1 0 391.515 3.998 20 30 GHEDRO C[NH+]1CC(CNc2cc(Br)cc(C#N)c2NC(=O)OC(C)(C)C)C1 ZINC001170256388 881272285 /nfs/dbraw/zinc/27/22/85/881272285.db2.gz JFBOWVCKMBWCBS-UHFFFAOYSA-N 1 0 395.301 3.641 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)C[C@H](CC#N)c3ccccc3)CCCC2)CC1 ZINC000475754506 883234692 /nfs/dbraw/zinc/23/46/92/883234692.db2.gz FATVBJYNWGXPQV-FQEVSTJZSA-N 1 0 383.536 3.614 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761673204 883316854 /nfs/dbraw/zinc/31/68/54/883316854.db2.gz CUSBUVRSCLUPJF-YJBOKZPZSA-N 1 0 382.439 3.685 20 30 GHEDRO C[C@@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000476882474 883324762 /nfs/dbraw/zinc/32/47/62/883324762.db2.gz JGFCSHJQXXWCJK-VGOFRKELSA-N 1 0 376.504 3.829 20 30 GHEDRO N#CCc1ccc(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000609552332 883363492 /nfs/dbraw/zinc/36/34/92/883363492.db2.gz OCQGPRIMOASMHC-UHFFFAOYSA-N 1 0 378.476 3.549 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609610294 883421541 /nfs/dbraw/zinc/42/15/41/883421541.db2.gz TZSNVYUPINMLEA-OALUTQOASA-N 1 0 378.520 3.891 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[NH+]1CCC(C)CC1 ZINC000609661093 883500798 /nfs/dbraw/zinc/50/07/98/883500798.db2.gz RPLDVFUJYYQCEH-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000186526044 883661678 /nfs/dbraw/zinc/66/16/78/883661678.db2.gz UCYCWAWWTAOMMH-SFHVURJKSA-N 1 0 393.300 3.597 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2C#N)[NH+](C)C)cc1 ZINC000805274730 883731005 /nfs/dbraw/zinc/73/10/05/883731005.db2.gz CSBLSQVQHIASAX-YDYPUGOESA-N 1 0 377.488 3.778 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)cc1OCCCC#N ZINC000064614524 883754864 /nfs/dbraw/zinc/75/48/64/883754864.db2.gz LIYOVYQJZBSRRB-UHFFFAOYSA-N 1 0 393.487 3.560 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000551416251 883832695 /nfs/dbraw/zinc/83/26/95/883832695.db2.gz HQTRWJXSUQZBKU-JOCHJYFZSA-N 1 0 381.545 3.772 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000805782225 884065448 /nfs/dbraw/zinc/06/54/48/884065448.db2.gz HVADVIGJRUIDRM-QHCPKHFHSA-N 1 0 375.516 3.539 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929045 884178078 /nfs/dbraw/zinc/17/80/78/884178078.db2.gz VQOLVAOTGGUZLZ-MJUUVYJYSA-N 1 0 394.478 3.959 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)[C@@H](C)C(C)(C)C)c1=S ZINC000914568432 884198343 /nfs/dbraw/zinc/19/83/43/884198343.db2.gz ICMLCKMXEDVVMV-KRWDZBQOSA-N 1 0 379.618 3.952 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000102691286 884272857 /nfs/dbraw/zinc/27/28/57/884272857.db2.gz GHCGEDKCEROBES-LJQANCHMSA-N 1 0 385.489 3.706 20 30 GHEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000194743129 884348385 /nfs/dbraw/zinc/34/83/85/884348385.db2.gz VNXOPOPSKZYLLD-GOSISDBHSA-N 1 0 378.520 3.666 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000556306847 884435323 /nfs/dbraw/zinc/43/53/23/884435323.db2.gz IUQUISMNOQGYOX-BDTNDASRSA-N 1 0 383.536 3.566 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000556306848 884435547 /nfs/dbraw/zinc/43/55/47/884435547.db2.gz IUQUISMNOQGYOX-BHDDXSALSA-N 1 0 383.536 3.566 20 30 GHEDRO O[C@@]1(C(F)(F)F)CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001142539156 884611719 /nfs/dbraw/zinc/61/17/19/884611719.db2.gz VLPSNGKQMLABNV-RYUDHWBXSA-N 1 0 394.718 3.981 20 30 GHEDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487845679 884692328 /nfs/dbraw/zinc/69/23/28/884692328.db2.gz XJXMJRUXCRDODC-UHFFFAOYSA-N 1 0 381.318 3.906 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c1 ZINC000898292311 884694875 /nfs/dbraw/zinc/69/48/75/884694875.db2.gz FQDSDSZKCRFNKR-UHFFFAOYSA-N 1 0 399.516 3.563 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000044013955 884723132 /nfs/dbraw/zinc/72/31/32/884723132.db2.gz XUNDEICOALMQQU-OAQYLSRUSA-N 1 0 398.551 3.743 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 ZINC000747337996 884844556 /nfs/dbraw/zinc/84/45/56/884844556.db2.gz ZSEZZHXLGQCYEE-UHFFFAOYSA-N 1 0 390.531 3.799 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)CC1 ZINC000556475212 885032028 /nfs/dbraw/zinc/03/20/28/885032028.db2.gz LJUBGQFUVWEXDC-UHFFFAOYSA-N 1 0 394.485 3.567 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000106349385 885039993 /nfs/dbraw/zinc/03/99/93/885039993.db2.gz PHFAHMJJYBKLNE-UHFFFAOYSA-N 1 0 393.487 3.574 20 30 GHEDRO CC1(C)C[C@@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C(C)(C)O1 ZINC000860856028 885055541 /nfs/dbraw/zinc/05/55/41/885055541.db2.gz CWRQJUVYKJAOJB-IBGZPJMESA-N 1 0 384.520 3.929 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c(OC)c1 ZINC000537529202 885060889 /nfs/dbraw/zinc/06/08/89/885060889.db2.gz WIGCAGKDDFBQTK-INIZCTEOSA-N 1 0 395.421 3.713 20 30 GHEDRO C[N@H+](CCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000103851258 885181406 /nfs/dbraw/zinc/18/14/06/885181406.db2.gz DGEZUPJGIMFHAM-UHFFFAOYSA-N 1 0 398.551 3.766 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2sc(C)nc2C)c(OC)c1 ZINC000106874779 885187364 /nfs/dbraw/zinc/18/73/64/885187364.db2.gz BGCXTRBNGNKMNM-QAPCUYQASA-N 1 0 390.549 3.930 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807083706 885206608 /nfs/dbraw/zinc/20/66/08/885206608.db2.gz GGVDTTDOKNNDOX-REWPJTCUSA-N 1 0 375.516 3.742 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460385312 885207768 /nfs/dbraw/zinc/20/77/68/885207768.db2.gz DYHGTZAHDIKYFV-GOSISDBHSA-N 1 0 377.492 3.825 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC000610809711 885280487 /nfs/dbraw/zinc/28/04/87/885280487.db2.gz QEOLFVSTLFJTCX-AUSIDOKSSA-N 1 0 389.547 3.565 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc(OC)c1OC ZINC000807741170 885674957 /nfs/dbraw/zinc/67/49/57/885674957.db2.gz YWVCFCLLKNFCSV-UWJYYQICSA-N 1 0 394.515 3.825 20 30 GHEDRO CCc1cc(Cl)cnc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000861613860 885698387 /nfs/dbraw/zinc/69/83/87/885698387.db2.gz BAUGGOJYWYTQCA-UHFFFAOYSA-N 1 0 397.910 3.909 20 30 GHEDRO CCC[C@]1(COC)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000194923528 885715003 /nfs/dbraw/zinc/71/50/03/885715003.db2.gz PWGXAXXBYQSJCH-HXUWFJFHSA-N 1 0 375.538 3.718 20 30 GHEDRO C[C@H](OC1CCCCCC1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000537591371 885775605 /nfs/dbraw/zinc/77/56/05/885775605.db2.gz BCSMQYHCFMTTCM-IBGZPJMESA-N 1 0 383.536 3.789 20 30 GHEDRO Cc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000487906547 885779032 /nfs/dbraw/zinc/77/90/32/885779032.db2.gz CVOXPXRWLKTAJT-GOSISDBHSA-N 1 0 378.394 3.757 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000666911323 885825497 /nfs/dbraw/zinc/82/54/97/885825497.db2.gz RKTQYLAKHYRTFX-JTQLQIEISA-N 1 0 386.311 3.658 20 30 GHEDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000532497915 885873459 /nfs/dbraw/zinc/87/34/59/885873459.db2.gz VGAOJPAWWPGUKG-UHFFFAOYSA-N 1 0 386.311 3.878 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001168208170 886040983 /nfs/dbraw/zinc/04/09/83/886040983.db2.gz KJFSLIBFZSKGOP-AUSIDOKSSA-N 1 0 375.516 3.837 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1)C(=O)N(C)CCC#N ZINC000495548714 886061545 /nfs/dbraw/zinc/06/15/45/886061545.db2.gz RRNCWPDQVOQCTH-OAHLLOKOSA-N 1 0 381.442 3.867 20 30 GHEDRO C[C@@H](O)C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000532559663 886067026 /nfs/dbraw/zinc/06/70/26/886067026.db2.gz SUKHLKFCZXYWHC-OAHLLOKOSA-N 1 0 389.565 3.843 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000808323164 886255820 /nfs/dbraw/zinc/25/58/20/886255820.db2.gz FVBXBCDFLYSAAU-JLHYYAGUSA-N 1 0 389.499 3.727 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000808420470 886341632 /nfs/dbraw/zinc/34/16/32/886341632.db2.gz FSJUJJUOXCCXNF-UHFFFAOYSA-N 1 0 399.878 3.502 20 30 GHEDRO N#Cc1ccc(N2CCC(Nc3ccc(CC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000556883542 886445177 /nfs/dbraw/zinc/44/51/77/886445177.db2.gz CMNDOLPZUUDVGK-UHFFFAOYSA-N 1 0 390.531 3.514 20 30 GHEDRO C[NH+]=C(NCc1nc(C)cs1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000153598905 886624390 /nfs/dbraw/zinc/62/43/90/886624390.db2.gz OAJOFIVNJZKTDE-HNNXBMFYSA-N 1 0 398.454 3.619 20 30 GHEDRO C=CCCS(=O)(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000119509943 886697066 /nfs/dbraw/zinc/69/70/66/886697066.db2.gz YPXZMEORJDJZNN-UHFFFAOYSA-N 1 0 384.545 3.945 20 30 GHEDRO CN(c1nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)cs1)C1CC1 ZINC000762765872 886796715 /nfs/dbraw/zinc/79/67/15/886796715.db2.gz BHAKLBNBRTZUFF-UHFFFAOYSA-N 1 0 385.537 3.569 20 30 GHEDRO COc1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)cc1C#N ZINC000762788778 886825532 /nfs/dbraw/zinc/82/55/32/886825532.db2.gz XGPHEAUTNDGVFI-SFHVURJKSA-N 1 0 389.293 3.931 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000808838772 886858304 /nfs/dbraw/zinc/85/83/04/886858304.db2.gz DMANLGDFAHRIQW-CRAIPNDOSA-N 1 0 382.439 3.513 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670207649 887046695 /nfs/dbraw/zinc/04/66/95/887046695.db2.gz XYQAGIVTXQRIMM-KRWDZBQOSA-N 1 0 376.508 3.600 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670211793 887097761 /nfs/dbraw/zinc/09/77/61/887097761.db2.gz YLNBKCMGOQVBKX-KRWDZBQOSA-N 1 0 376.508 3.600 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc(-c2ccccn2)nc1C)C(C)C ZINC000495964566 887310056 /nfs/dbraw/zinc/31/00/56/887310056.db2.gz CRVCMRQADVFGNM-SFHVURJKSA-N 1 0 384.549 3.942 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000532674719 887587463 /nfs/dbraw/zinc/58/74/63/887587463.db2.gz AKFSLUPFCBCZEH-LJQANCHMSA-N 1 0 376.456 3.671 20 30 GHEDRO C#CCCOc1ccc(CN(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000809735410 887715733 /nfs/dbraw/zinc/71/57/33/887715733.db2.gz GBRYEGYHDZUEMK-HSZRJFAPSA-N 1 0 377.532 3.970 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809735655 887716339 /nfs/dbraw/zinc/71/63/39/887716339.db2.gz NLFIVQTWKVWJFT-SIKLNZKXSA-N 1 0 378.520 3.859 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809701876 887719694 /nfs/dbraw/zinc/71/96/94/887719694.db2.gz NIBFMHNZPWJYOY-OAQYLSRUSA-N 1 0 378.513 3.797 20 30 GHEDRO CCCCCCCCOc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001211948399 887733135 /nfs/dbraw/zinc/73/31/35/887733135.db2.gz LMYQFXQJGGYERM-NQIIRXRSSA-N 1 0 394.581 3.751 20 30 GHEDRO C[C@H]1CN(c2ccccc2C[NH2+]CCSCc2ccccc2C#N)CCO1 ZINC000459367752 887741858 /nfs/dbraw/zinc/74/18/58/887741858.db2.gz CCJDKMUPSKHTOG-SFHVURJKSA-N 1 0 381.545 3.806 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000488029802 887742057 /nfs/dbraw/zinc/74/20/57/887742057.db2.gz VUBKTPPTJPFJSO-OAQYLSRUSA-N 1 0 381.476 3.541 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000194004455 887925745 /nfs/dbraw/zinc/92/57/45/887925745.db2.gz BWHBCXOQKRYRND-UHFFFAOYSA-N 1 0 385.533 3.743 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126336 888191130 /nfs/dbraw/zinc/19/11/30/888191130.db2.gz FUWWIMZHGVUZML-KRWDZBQOSA-N 1 0 393.487 3.813 20 30 GHEDRO N#CCc1cccc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC001170597835 888205427 /nfs/dbraw/zinc/20/54/27/888205427.db2.gz ZICMWVCHICKMMN-HSZRJFAPSA-N 1 0 386.499 3.623 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532700188 888330989 /nfs/dbraw/zinc/33/09/89/888330989.db2.gz MDQDJWRXTZZARB-YRPNKDGESA-N 1 0 389.609 3.988 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000794842201 888386119 /nfs/dbraw/zinc/38/61/19/888386119.db2.gz QFUSBZNJDPOJDJ-KSSFIOAISA-N 1 0 379.378 3.981 20 30 GHEDRO COC(OC)c1ccc(F)c(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c1 ZINC000865694488 888519628 /nfs/dbraw/zinc/51/96/28/888519628.db2.gz GUTAWJYZYONTMB-UHFFFAOYSA-N 1 0 383.467 3.747 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@H](C)NC(=O)OC(C)(C)C ZINC001202519793 888567681 /nfs/dbraw/zinc/56/76/81/888567681.db2.gz KJUFUHZGANBQDU-NEPJUHHUSA-N 1 0 382.302 3.712 20 30 GHEDRO CN(c1ccccc1C=[NH+][N-]c1nc2cc(F)c(F)cc2[nH]1)C1CC[NH+](C)CC1 ZINC000915959622 888575835 /nfs/dbraw/zinc/57/58/35/888575835.db2.gz UBVSRQAZSCFADH-UHFFFAOYSA-N 1 0 398.461 3.818 20 30 GHEDRO Cc1ncc(CO)c(/C=N/Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1O ZINC000915980118 888594852 /nfs/dbraw/zinc/59/48/52/888594852.db2.gz XEHMIHCEFPTSMB-YWQQNBBASA-N 1 0 381.520 3.685 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)c2ccnn2C)cc1OCC ZINC000865839225 888604072 /nfs/dbraw/zinc/60/40/72/888604072.db2.gz JWOGWKQCTKUKPK-CYBMUJFWSA-N 1 0 394.313 3.997 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H](c2nccs2)C1 ZINC000195341906 888681557 /nfs/dbraw/zinc/68/15/57/888681557.db2.gz QACIGXLZHYADTE-SJORKVTESA-N 1 0 398.532 3.666 20 30 GHEDRO C#Cc1ccccc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000810613436 888711297 /nfs/dbraw/zinc/71/12/97/888711297.db2.gz AGJHIEAZRYCAMU-UHFFFAOYSA-N 1 0 388.433 3.820 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC)c(F)c2)no1 ZINC001211976001 888783862 /nfs/dbraw/zinc/78/38/62/888783862.db2.gz WRDARUNQAPZRQR-RDJZCZTQSA-N 1 0 377.460 3.962 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866445333 888881762 /nfs/dbraw/zinc/88/17/62/888881762.db2.gz JHXDWZYTDXFINU-HNNXBMFYSA-N 1 0 397.910 3.582 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000810840475 888928971 /nfs/dbraw/zinc/92/89/71/888928971.db2.gz GROGWOYCQHGLIK-RBBKRZOGSA-N 1 0 376.456 3.921 20 30 GHEDRO COc1ccc(C(C)=NNC(=S)NC(C)(C)C)cc1C[NH+]1CCCCC1 ZINC000916343629 888935125 /nfs/dbraw/zinc/93/51/25/888935125.db2.gz LARXJTBSZXMFQR-UHFFFAOYSA-N 1 0 376.570 3.668 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000916410597 888965388 /nfs/dbraw/zinc/96/53/88/888965388.db2.gz WDPDTEJZFWMRRV-ROUUACIJSA-N 1 0 376.570 3.542 20 30 GHEDRO N#CCc1ccsc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000866714801 889016113 /nfs/dbraw/zinc/01/61/13/889016113.db2.gz XPQACQQEVYQLHN-WOJBJXKFSA-N 1 0 379.529 3.941 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810983699 889073391 /nfs/dbraw/zinc/07/33/91/889073391.db2.gz GFNWPULOLIMKRU-OAQYLSRUSA-N 1 0 375.516 3.714 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121784975 889140301 /nfs/dbraw/zinc/14/03/01/889140301.db2.gz MLPCUEJIIYGSLJ-MOPGFXCFSA-N 1 0 384.476 3.907 20 30 GHEDRO N#Cc1cnc2nc(Cl)ccc2c1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170625191 889160613 /nfs/dbraw/zinc/16/06/13/889160613.db2.gz SUOUCLGIIJCECR-UHFFFAOYSA-N 1 0 381.911 3.889 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000454515084 889217860 /nfs/dbraw/zinc/21/78/60/889217860.db2.gz KDRUWIHOWZFQTL-INIZCTEOSA-N 1 0 380.467 3.722 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)CC1 ZINC000454548235 889257794 /nfs/dbraw/zinc/25/77/94/889257794.db2.gz PQSNILWAHWGOIT-UHFFFAOYSA-N 1 0 377.479 3.579 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccc(C)cc2)n1 ZINC000811722846 889921409 /nfs/dbraw/zinc/92/14/09/889921409.db2.gz SZYREIRBIXVCQK-UHFFFAOYSA-O 1 0 396.467 3.876 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000064381028 889924019 /nfs/dbraw/zinc/92/40/19/889924019.db2.gz KYNGFJNOHFKTSE-UHFFFAOYSA-N 1 0 376.913 3.771 20 30 GHEDRO CN(Cc1cn2ccccc2c1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000125810863 890169681 /nfs/dbraw/zinc/16/96/81/890169681.db2.gz BMDDFTOQOPTZDX-LJQANCHMSA-N 1 0 384.277 3.739 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000533289592 890199934 /nfs/dbraw/zinc/19/99/34/890199934.db2.gz RLTKGEQLMNPQJI-CXVUKDAWSA-N 1 0 383.536 3.804 20 30 GHEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000533309885 890222377 /nfs/dbraw/zinc/22/23/77/890222377.db2.gz XACRQEUNFPATML-UYAOXDASSA-N 1 0 399.498 3.636 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)C1(c3ccc(C#N)cc3)CC1)Cc1ccccc12 ZINC000870184371 890251117 /nfs/dbraw/zinc/25/11/17/890251117.db2.gz KXFYQABRCPNIAC-UHFFFAOYSA-N 1 0 385.511 3.596 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(C#C[Si](C)(C)C)c3nccc2-3)cc1 ZINC001170664871 890403596 /nfs/dbraw/zinc/40/35/96/890403596.db2.gz JHKAYKVTBDCVEX-OAHLLOKOSA-N 1 0 376.536 3.946 20 30 GHEDRO N#CCCN(C(=O)C[NH2+]C1(c2ccccc2)CCOCC1)c1cccc(Cl)c1 ZINC000533518405 890778898 /nfs/dbraw/zinc/77/88/98/890778898.db2.gz YCCFTEIGIJTHRF-UHFFFAOYSA-N 1 0 397.906 3.882 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CCCc2c1cnn2C ZINC000246300223 890969354 /nfs/dbraw/zinc/96/93/54/890969354.db2.gz PRFFHJWEEWVCCE-YJBOKZPZSA-N 1 0 397.548 3.620 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812896804 891110245 /nfs/dbraw/zinc/11/02/45/891110245.db2.gz BDSNQFHMONPURM-WEYGHZABSA-N 1 0 379.479 3.710 20 30 GHEDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000533689468 891121177 /nfs/dbraw/zinc/12/11/77/891121177.db2.gz DPTDVWIGWVYQFP-QGZVFWFLSA-N 1 0 383.923 3.981 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812937168 891146120 /nfs/dbraw/zinc/14/61/20/891146120.db2.gz TYYGORMMKLUDFN-PGRDOPGGSA-N 1 0 379.479 3.806 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000872140084 891180529 /nfs/dbraw/zinc/18/05/29/891180529.db2.gz WRNORBWOWHQWPM-FSGKZVOOSA-N 1 0 376.541 3.573 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](OC3CCC3)CC1)CCC2 ZINC000872279522 891226463 /nfs/dbraw/zinc/22/64/63/891226463.db2.gz IWLQZOYJIRPCDP-INIZCTEOSA-N 1 0 387.549 3.861 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=Nn2c(SC)nnc2SC)c1C ZINC000872416940 891257551 /nfs/dbraw/zinc/25/75/51/891257551.db2.gz CNCZVGXGATVDOG-INIZCTEOSA-N 1 0 392.598 3.507 20 30 GHEDRO C[C@]1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000873056754 891448336 /nfs/dbraw/zinc/44/83/36/891448336.db2.gz IPNLPMMCQHQEPA-IBGZPJMESA-N 1 0 394.441 3.507 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000128353144 891741743 /nfs/dbraw/zinc/74/17/43/891741743.db2.gz BNYBDDKIGGKULH-UHFFFAOYSA-N 1 0 388.562 3.585 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000188781080 891874982 /nfs/dbraw/zinc/87/49/82/891874982.db2.gz JLIFSYLHCMKLNK-UHFFFAOYSA-N 1 0 387.528 3.644 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@@H]3CCCCN3[C@@H]3CC[NH2+]C3)n2)c(C#N)c1 ZINC001212102769 892070082 /nfs/dbraw/zinc/07/00/82/892070082.db2.gz TYVJAIKDRNZJTD-MJGOQNOKSA-N 1 0 379.508 3.795 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000917556833 892203852 /nfs/dbraw/zinc/20/38/52/892203852.db2.gz NZGJGUJJPUARFZ-JLPGSUDCSA-N 1 0 385.483 3.833 20 30 GHEDRO C#CCN(C(=O)/C=C\c1cc2ccccc2nc1OCCC)C1CC[NH+](C)CC1 ZINC001134043189 892205968 /nfs/dbraw/zinc/20/59/68/892205968.db2.gz GJZKUZVVCWKECO-KHPPLWFESA-N 1 0 391.515 3.593 20 30 GHEDRO Cc1ncc(CO)c(/C=N/Cc2ccccc2C[N@@H+](C)C2CCCCC2)c1O ZINC000917557647 892207870 /nfs/dbraw/zinc/20/78/70/892207870.db2.gz DZIADGOUQUQZAW-ZVHZXABRSA-N 1 0 381.520 3.972 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192093900 892234622 /nfs/dbraw/zinc/23/46/22/892234622.db2.gz VHYDMXFNBAWVDW-WBVHZDCISA-N 1 0 393.871 3.861 20 30 GHEDRO CN(c1ccc(NC(=S)Nc2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000917591512 892252454 /nfs/dbraw/zinc/25/24/54/892252454.db2.gz RPSIBOLFKUMUPJ-UHFFFAOYSA-N 1 0 379.533 3.898 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)o1 ZINC000814176649 892336572 /nfs/dbraw/zinc/33/65/72/892336572.db2.gz TWWGYNHTROGLQO-RTWAWAEBSA-N 1 0 379.460 3.678 20 30 GHEDRO CC[NH+](CC)CCn1c(NC(=O)c2sccc2CC#N)nc2ccccc21 ZINC000875016873 892407817 /nfs/dbraw/zinc/40/78/17/892407817.db2.gz ZPZSHULUPJKCDL-UHFFFAOYSA-N 1 0 381.505 3.758 20 30 GHEDRO C#CCN(C(=O)c1ccc(Br)c2cc(C)oc21)C1CC[NH+](C)CC1 ZINC001134265330 892543861 /nfs/dbraw/zinc/54/38/61/892543861.db2.gz DETLKWUXEMXGCG-UHFFFAOYSA-N 1 0 389.293 3.673 20 30 GHEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000774833411 913684462 /nfs/dbraw/zinc/68/44/62/913684462.db2.gz VAYMKKFUWAEXNJ-NRFANRHFSA-N 1 0 399.922 3.714 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccccc3-n3cccn3)C2)CC1 ZINC001137093974 892781895 /nfs/dbraw/zinc/78/18/95/892781895.db2.gz ZQCIAOBFYUHBRG-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO Cc1ccccc1OCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497945376 892814746 /nfs/dbraw/zinc/81/47/46/892814746.db2.gz WWNANANCKZSFSC-UHFFFAOYSA-N 1 0 391.515 3.760 20 30 GHEDRO COc1cc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2cc1OC ZINC000825824427 892840293 /nfs/dbraw/zinc/84/02/93/892840293.db2.gz JXPMECNJADYDJD-UHFFFAOYSA-N 1 0 384.480 3.556 20 30 GHEDRO C#CCC[NH+]1CCN(Cc2csc(N(C(C)=O)c3ccccc3CC)n2)CC1 ZINC000272065582 892887792 /nfs/dbraw/zinc/88/77/92/892887792.db2.gz XWKADBHORFYFMR-UHFFFAOYSA-N 1 0 396.560 3.531 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000272881335 892935297 /nfs/dbraw/zinc/93/52/97/892935297.db2.gz QROVCPUVCQMOAA-HNNXBMFYSA-N 1 0 380.510 3.517 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645242 893037216 /nfs/dbraw/zinc/03/72/16/893037216.db2.gz ZWOOFIRIZVQUTI-GOSISDBHSA-N 1 0 393.572 3.523 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000933502193 893061886 /nfs/dbraw/zinc/06/18/86/893061886.db2.gz LZDMDFJCGSKMIB-PGRDOPGGSA-N 1 0 391.556 3.856 20 30 GHEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000129121893 893063318 /nfs/dbraw/zinc/06/33/18/893063318.db2.gz IXXMOJVHPHEVRD-XVSDVWIESA-N 1 0 379.426 3.897 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508741579 893099892 /nfs/dbraw/zinc/09/98/92/893099892.db2.gz YFGUNFYNZJCUDS-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO CC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814725996 893103732 /nfs/dbraw/zinc/10/37/32/893103732.db2.gz IAUMTEHXHWIGIB-UHFFFAOYSA-N 1 0 377.517 3.704 20 30 GHEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000562911189 893134686 /nfs/dbraw/zinc/13/46/86/893134686.db2.gz HRFGKGGRXCLRTL-INIZCTEOSA-N 1 0 396.434 3.919 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508750049 893175688 /nfs/dbraw/zinc/17/56/88/893175688.db2.gz YIDXWONUPWTOHZ-KRWDZBQOSA-N 1 0 387.503 3.521 20 30 GHEDRO CC(=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(C[NH+](C)C)cc1 ZINC000814800506 893182571 /nfs/dbraw/zinc/18/25/71/893182571.db2.gz AERAJMGCUZPOJE-UHFFFAOYSA-N 1 0 399.438 3.878 20 30 GHEDRO CC(C)(C)OC(=O)NC(=C[NH2+]Nc1ccnc2ccccc21)CC(F)(F)F ZINC000814841393 893231065 /nfs/dbraw/zinc/23/10/65/893231065.db2.gz OITZRTNEFHNYRM-LBPRGKRZSA-N 1 0 382.386 3.900 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000498124851 893303715 /nfs/dbraw/zinc/30/37/15/893303715.db2.gz IISBVEUKPXOMPA-OAQYLSRUSA-N 1 0 397.519 3.865 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000563034765 893304534 /nfs/dbraw/zinc/30/45/34/893304534.db2.gz LISVZMWNHUQYGI-UHFFFAOYSA-N 1 0 376.504 3.525 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000876994268 893424690 /nfs/dbraw/zinc/42/46/90/893424690.db2.gz FQBLWWXIUYVTEC-DZGCQCFKSA-N 1 0 378.904 3.732 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000876994271 893424746 /nfs/dbraw/zinc/42/47/46/893424746.db2.gz FQBLWWXIUYVTEC-ZFWWWQNUSA-N 1 0 378.904 3.732 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000877033879 893449133 /nfs/dbraw/zinc/44/91/33/893449133.db2.gz QNPNLEDFFDURSH-QFBILLFUSA-N 1 0 391.943 3.699 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC000815156296 893497108 /nfs/dbraw/zinc/49/71/08/893497108.db2.gz ZTRCTDBCFXJAEC-JLHGSKIFSA-N 1 0 395.478 3.958 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC001137118189 893554273 /nfs/dbraw/zinc/55/42/73/893554273.db2.gz PAANDIFJRHLNHH-UHFFFAOYSA-N 1 0 389.499 3.746 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000444811668 893733638 /nfs/dbraw/zinc/73/36/38/893733638.db2.gz IWPRKFQVXKHULT-UXHICEINSA-N 1 0 393.535 3.552 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1 ZINC000877673732 893755392 /nfs/dbraw/zinc/75/53/92/893755392.db2.gz QPJBUCGRDIZNNY-GOSISDBHSA-N 1 0 377.488 3.680 20 30 GHEDRO COc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1OCCCC#N ZINC000877715993 893776284 /nfs/dbraw/zinc/77/62/84/893776284.db2.gz OAOJYTJQHJALSQ-HXUWFJFHSA-N 1 0 392.503 3.757 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1snc(C)c1C#N)c1cccc(OC)c1 ZINC000459549041 893782382 /nfs/dbraw/zinc/78/23/82/893782382.db2.gz CCAMUAFCYJOYSK-KRWDZBQOSA-N 1 0 387.509 3.536 20 30 GHEDRO CC(C)C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)[NH+](C)C ZINC000498271667 893816553 /nfs/dbraw/zinc/81/65/53/893816553.db2.gz XRGNEWNCGBNLEL-OAQYLSRUSA-N 1 0 379.504 3.843 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000563519135 893857707 /nfs/dbraw/zinc/85/77/07/893857707.db2.gz CZXLPVQTHGCSIN-HSZRJFAPSA-N 1 0 388.515 3.508 20 30 GHEDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459644910 893964508 /nfs/dbraw/zinc/96/45/08/893964508.db2.gz PVNMHTBLBYPZKE-GJZGRUSLSA-N 1 0 382.533 3.831 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000878057221 893986068 /nfs/dbraw/zinc/98/60/68/893986068.db2.gz ZVLJLANIGNLXJF-DEOSSOPVSA-N 1 0 387.483 3.842 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000459657690 893998938 /nfs/dbraw/zinc/99/89/38/893998938.db2.gz IIFCFUUGFMPHJH-ZDUSSCGKSA-N 1 0 394.313 3.786 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000878085370 894003037 /nfs/dbraw/zinc/00/30/37/894003037.db2.gz KSGWVKUSORRIPN-HSZRJFAPSA-N 1 0 399.535 3.758 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000878150315 894054740 /nfs/dbraw/zinc/05/47/40/894054740.db2.gz IQJUEMDZLWDHHC-NOZRDPDXSA-N 1 0 389.543 3.881 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)CC1 ZINC000778287145 894085902 /nfs/dbraw/zinc/08/59/02/894085902.db2.gz GGGAYVFXMWJZCE-UHFFFAOYSA-N 1 0 389.471 3.614 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1 ZINC000126988008 894113848 /nfs/dbraw/zinc/11/38/48/894113848.db2.gz XNSSJBRNRJFKCY-SFHVURJKSA-N 1 0 380.488 3.963 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000536963369 894144262 /nfs/dbraw/zinc/14/42/62/894144262.db2.gz BCTHFUOHEDNGSS-RTWAWAEBSA-N 1 0 376.504 3.897 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000878271297 894145179 /nfs/dbraw/zinc/14/51/79/894145179.db2.gz DARAPQCTZSIYBV-ZEQRLZLVSA-N 1 0 375.516 3.633 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3C#N)c3cnccc32)CC1 ZINC001135189848 894167930 /nfs/dbraw/zinc/16/79/30/894167930.db2.gz OSZZNXDIXLQLFT-RMKNXTFCSA-N 1 0 397.482 3.510 20 30 GHEDRO C[C@@H](C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)C(=O)OC(C)(C)C ZINC000459769103 894192170 /nfs/dbraw/zinc/19/21/70/894192170.db2.gz MAOCOQURBNKSTA-KRWDZBQOSA-N 1 0 382.508 3.873 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000537048183 894265622 /nfs/dbraw/zinc/26/56/22/894265622.db2.gz QVZYEZPORRGJKR-INIZCTEOSA-N 1 0 385.405 3.710 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691151 894282372 /nfs/dbraw/zinc/28/23/72/894282372.db2.gz UODQSAAWPJTTOC-IBGZPJMESA-O 1 0 383.537 3.552 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000537067362 894287013 /nfs/dbraw/zinc/28/70/13/894287013.db2.gz KIYXIGJDFMAUHM-ZDUSSCGKSA-N 1 0 387.505 3.933 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000563877107 894288195 /nfs/dbraw/zinc/28/81/95/894288195.db2.gz CJNSWGAEKUSBBO-SJLPKXTDSA-N 1 0 385.943 3.771 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000537074999 894294858 /nfs/dbraw/zinc/29/48/58/894294858.db2.gz CXZPDEIOGNKSMQ-AUUYWEPGSA-N 1 0 392.341 3.888 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1)c1ccccc1 ZINC000878935996 894736021 /nfs/dbraw/zinc/73/60/21/894736021.db2.gz ATRGLLBIHCHPMU-QPTUXGOLSA-N 1 0 376.500 3.525 20 30 GHEDRO COC1CCN(c2ccc(C[NH+]3CCC(c4ccc(C#N)cn4)CC3)cc2)CC1 ZINC000879022961 894787810 /nfs/dbraw/zinc/78/78/10/894787810.db2.gz DKEYJBIPWHMWDX-UHFFFAOYSA-N 1 0 390.531 3.948 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC2(CC#N)CC2)CC[C@H]1C(F)(F)F ZINC000879036486 894799482 /nfs/dbraw/zinc/79/94/82/894799482.db2.gz LGHFAESQGQNRRO-ZIAGYGMSSA-N 1 0 375.435 3.705 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC000879038163 894801121 /nfs/dbraw/zinc/80/11/21/894801121.db2.gz QJDHFHYNFHMOJL-HCLVMJGWSA-N 1 0 384.520 3.727 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cc2cnccc2o1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000879713557 895251587 /nfs/dbraw/zinc/25/15/87/895251587.db2.gz QFFMZCNOQWKWDM-HUUCEWRRSA-N 1 0 380.423 3.953 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000817018451 895262906 /nfs/dbraw/zinc/26/29/06/895262906.db2.gz FPNPFADYOUNDGA-GOSISDBHSA-N 1 0 389.337 3.534 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000565044651 895365661 /nfs/dbraw/zinc/36/56/61/895365661.db2.gz RQIAEBGHIXOPGJ-WMZOPIPTSA-N 1 0 375.787 3.879 20 30 GHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565042771 895365878 /nfs/dbraw/zinc/36/58/78/895365878.db2.gz ASDPVSFXYMGFAM-UHFFFAOYSA-N 1 0 394.353 3.827 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc2c(c1)CCCC2 ZINC000023604912 895395719 /nfs/dbraw/zinc/39/57/19/895395719.db2.gz VMRMJPFQFYJNRQ-UHFFFAOYSA-O 1 0 382.553 3.902 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H]1C(F)(F)F ZINC000880024442 895458019 /nfs/dbraw/zinc/45/80/19/895458019.db2.gz JIFRRLXSZKDEDP-KGLIPLIRSA-N 1 0 377.451 3.951 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1OC ZINC000565277603 895498368 /nfs/dbraw/zinc/49/83/68/895498368.db2.gz XJOFIRXGPSUWBD-GOSISDBHSA-N 1 0 398.341 3.909 20 30 GHEDRO C[C@@]1(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCC[NH2+]C1 ZINC000565589024 895745864 /nfs/dbraw/zinc/74/58/64/895745864.db2.gz YRKUZPNTROLHMO-HSZRJFAPSA-N 1 0 394.494 3.799 20 30 GHEDRO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000880654061 895791415 /nfs/dbraw/zinc/79/14/15/895791415.db2.gz CRVLLDYJITWEMN-UHFFFAOYSA-N 1 0 394.523 3.533 20 30 GHEDRO C=CC[N@H+](CC(Cc1ccccc1)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000565788284 895877052 /nfs/dbraw/zinc/87/70/52/895877052.db2.gz FMTDBRJMEYZJFN-HSZRJFAPSA-N 1 0 383.557 3.763 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C(F)(F)F)c1 ZINC000880925125 896001374 /nfs/dbraw/zinc/00/13/74/896001374.db2.gz PTVAXZABLVVPPS-AEFFLSMTSA-N 1 0 394.441 3.583 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880932792 896010572 /nfs/dbraw/zinc/01/05/72/896010572.db2.gz RNXLZUMBLANYCK-SFHVURJKSA-N 1 0 396.457 3.923 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)CC2 ZINC000565977276 896022886 /nfs/dbraw/zinc/02/28/86/896022886.db2.gz ISJISKVZEGMTLJ-BEFAXECRSA-N 1 0 390.405 3.885 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000566038273 896064105 /nfs/dbraw/zinc/06/41/05/896064105.db2.gz LZZAFIGHDBUKPP-LJQANCHMSA-N 1 0 387.524 3.611 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566187465 896161341 /nfs/dbraw/zinc/16/13/41/896161341.db2.gz SSXGDBFIULWCMG-CABCVRRESA-N 1 0 382.426 3.732 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(CC#N)n1 ZINC000881146229 896196371 /nfs/dbraw/zinc/19/63/71/896196371.db2.gz MBKMASHSVLDGGM-IBGZPJMESA-N 1 0 377.492 3.570 20 30 GHEDRO COc1cc(F)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000566339228 896245415 /nfs/dbraw/zinc/24/54/15/896245415.db2.gz ZVCZDJVGECUAAF-UHFFFAOYSA-N 1 0 385.439 3.589 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000819182862 896452341 /nfs/dbraw/zinc/45/23/41/896452341.db2.gz IVWJHSGXKQHOOL-SIKLNZKXSA-N 1 0 387.524 3.773 20 30 GHEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819190599 896460410 /nfs/dbraw/zinc/46/04/10/896460410.db2.gz IPCGBFOEARKDAP-XIKOKIGWSA-N 1 0 377.257 3.714 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CC2CC[NH+](C)CC2)s1 ZINC000819242377 896486212 /nfs/dbraw/zinc/48/62/12/896486212.db2.gz LQTCFAYPGTZXOP-UHFFFAOYSA-N 1 0 388.002 3.639 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000819211473 896502430 /nfs/dbraw/zinc/50/24/30/896502430.db2.gz BTHUOCGZWSSDAJ-KXBFYZLASA-N 1 0 376.287 3.767 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000566735191 896532839 /nfs/dbraw/zinc/53/28/39/896532839.db2.gz BPGSTGFOHSMKBX-AOIWGVFYSA-N 1 0 387.549 3.768 20 30 GHEDRO Cc1ccc([C@H](OC[C@H](O)C[NH2+]Cc2ccc(C#N)cn2)c2ccccc2)cc1 ZINC000819314295 896607114 /nfs/dbraw/zinc/60/71/14/896607114.db2.gz WTAJIMKEJMGCLQ-DNQXCXABSA-N 1 0 387.483 3.518 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC000129519622 896704417 /nfs/dbraw/zinc/70/44/17/896704417.db2.gz DUGXLLPNWCSLTB-QFIPXVFZSA-N 1 0 396.918 3.899 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H](c3ccncc3)C2)ccc1Cl ZINC000567246644 897004047 /nfs/dbraw/zinc/00/40/47/897004047.db2.gz PUBVYVWCHIIDCV-SFHVURJKSA-N 1 0 382.895 3.780 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CCc3ccc(Cl)cc3Cl)C2)C1=O ZINC001276323845 914130110 /nfs/dbraw/zinc/13/01/10/914130110.db2.gz HOCBPYGZGXOZKU-FQEVSTJZSA-N 1 0 395.330 3.953 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cc(Cl)cc(Cl)c2)cc1 ZINC000567680765 897334724 /nfs/dbraw/zinc/33/47/24/897334724.db2.gz DXPSUQUIQHLCFU-GOSISDBHSA-N 1 0 379.287 3.631 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883170222 897340393 /nfs/dbraw/zinc/34/03/93/897340393.db2.gz OEQOCSCKWYBLKL-UNMCSNQZSA-N 1 0 380.488 3.812 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000131273057 897390372 /nfs/dbraw/zinc/39/03/72/897390372.db2.gz OQKLHODVRRXVNB-PKOBYXMFSA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCCCC2)[C@@H]([C@@H]2CCOC2)C1 ZINC000883235903 897392876 /nfs/dbraw/zinc/39/28/76/897392876.db2.gz NGIATPLXJLNKLQ-QRVBRYPASA-N 1 0 391.556 3.712 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc1 ZINC000568621582 897988922 /nfs/dbraw/zinc/98/89/22/897988922.db2.gz VUSTUUVWRDOVPQ-INIZCTEOSA-N 1 0 396.821 3.537 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C(=O)N(CCC)CCC)c2)CC1 ZINC000106034463 898246745 /nfs/dbraw/zinc/24/67/45/898246745.db2.gz BIIZCILVPAWLMT-UHFFFAOYSA-N 1 0 385.552 3.719 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 ZINC001136594343 898425033 /nfs/dbraw/zinc/42/50/33/898425033.db2.gz MGMRVLMSMXFKLF-UHFFFAOYSA-N 1 0 391.471 3.879 20 30 GHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822592920 898516456 /nfs/dbraw/zinc/51/64/56/898516456.db2.gz LHVINFZCTHGEEA-OAQYLSRUSA-N 1 0 399.535 3.554 20 30 GHEDRO Cc1cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc(N2CCCC2)n1 ZINC000289625831 914268462 /nfs/dbraw/zinc/26/84/62/914268462.db2.gz DYPLTRUQEXKCFE-UHFFFAOYSA-N 1 0 375.520 3.621 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000111303982 898795780 /nfs/dbraw/zinc/79/57/80/898795780.db2.gz AKPDCGBTSQHBCA-INIZCTEOSA-N 1 0 375.538 3.646 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000569610321 898826237 /nfs/dbraw/zinc/82/62/37/898826237.db2.gz INMCSDUCFJACSX-AWEZNQCLSA-N 1 0 390.325 3.579 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)C2 ZINC000884099608 898867523 /nfs/dbraw/zinc/86/75/23/898867523.db2.gz UFJUPWRVLMIOJR-WHRZTLTBSA-N 1 0 393.918 3.879 20 30 GHEDRO CCCN(C(=O)c1ncc(C#N)cc1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000569692278 898889316 /nfs/dbraw/zinc/88/93/16/898889316.db2.gz WNOKDSCODGHFMR-NRFANRHFSA-N 1 0 376.504 3.779 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](C)C1 ZINC000289697157 914301199 /nfs/dbraw/zinc/30/11/99/914301199.db2.gz GHHGRYDCVJEHQX-IERDGZPVSA-N 1 0 393.491 3.940 20 30 GHEDRO C=CCCC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC001136738010 899080548 /nfs/dbraw/zinc/08/05/48/899080548.db2.gz XJYMWYOHMKCOEM-DHIUTWEWSA-N 1 0 383.580 3.753 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)C2CCCCC2)CC1 ZINC000570302211 899250763 /nfs/dbraw/zinc/25/07/63/899250763.db2.gz LVJIVYOQLFBHSK-UHFFFAOYSA-N 1 0 397.563 3.505 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000823887108 899306772 /nfs/dbraw/zinc/30/67/72/899306772.db2.gz AZHBHMDRTUZWCX-LPHOPBHVSA-N 1 0 386.517 3.664 20 30 GHEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000118809078 899473654 /nfs/dbraw/zinc/47/36/54/899473654.db2.gz WBYOVHAGHMECCO-IBGZPJMESA-N 1 0 392.503 3.747 20 30 GHEDRO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000570655097 899475660 /nfs/dbraw/zinc/47/56/60/899475660.db2.gz KKHQTHCGSNIUTB-QGZVFWFLSA-N 1 0 378.524 3.708 20 30 GHEDRO Cc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000570780213 899585644 /nfs/dbraw/zinc/58/56/44/899585644.db2.gz AQGUALXGTZZZOZ-IFXJQAMLSA-N 1 0 397.544 3.705 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1=CC[N@H+](C)CC1 ZINC000289836997 914373690 /nfs/dbraw/zinc/37/36/90/914373690.db2.gz OODNFSPFXXKNEL-HNNXBMFYSA-N 1 0 377.448 3.517 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000570915057 899676479 /nfs/dbraw/zinc/67/64/79/899676479.db2.gz KYTMSJMYWGXYIA-SZPZYZBQSA-N 1 0 391.515 3.525 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000570997956 899705747 /nfs/dbraw/zinc/70/57/47/899705747.db2.gz INGFAJNQZXKZCF-GCJKJVERSA-N 1 0 397.519 3.523 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000570997957 899706138 /nfs/dbraw/zinc/70/61/38/899706138.db2.gz INGFAJNQZXKZCF-PGRDOPGGSA-N 1 0 397.519 3.523 20 30 GHEDRO C[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824627312 899725541 /nfs/dbraw/zinc/72/55/41/899725541.db2.gz WULCGWJIBTUAPE-HNNXBMFYSA-N 1 0 381.443 3.651 20 30 GHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1Oc1cccnc1 ZINC000120220595 899772944 /nfs/dbraw/zinc/77/29/44/899772944.db2.gz ZVGIPOIMGLNVGU-UHFFFAOYSA-N 1 0 381.480 3.882 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1Nc1c(F)cccc1F)C2 ZINC000884325215 899800173 /nfs/dbraw/zinc/80/01/73/899800173.db2.gz LKFVLXGYRZOMAW-YZGUTLMUSA-N 1 0 382.414 3.786 20 30 GHEDRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000120571657 899844791 /nfs/dbraw/zinc/84/47/91/899844791.db2.gz SGTJIHNKQGKVJD-HSZRJFAPSA-N 1 0 386.499 3.904 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000332675493 899845054 /nfs/dbraw/zinc/84/50/54/899845054.db2.gz NZHIROVTCJKVIQ-LSDHHAIUSA-N 1 0 382.386 3.547 20 30 GHEDRO C[C@H]1[C@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000571361419 899845594 /nfs/dbraw/zinc/84/55/94/899845594.db2.gz WMJBUQQETNJNKN-PKOBYXMFSA-N 1 0 393.491 3.549 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cnc4c(C)cccn34)CC2)C1 ZINC001136958228 899883082 /nfs/dbraw/zinc/88/30/82/899883082.db2.gz GJJJBJHMDKGZHV-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO C[C@H](COc1cccc(C#N)c1)OC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805882424 899912844 /nfs/dbraw/zinc/91/28/44/899912844.db2.gz XBJJDTWZAIVWGD-GOSISDBHSA-N 1 0 378.472 3.781 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCc3c(F)ccc(F)c3C1)CCC2 ZINC000333104963 899964794 /nfs/dbraw/zinc/96/47/94/899964794.db2.gz WBJOSCVWOBUDHO-UHFFFAOYSA-N 1 0 387.455 3.774 20 30 GHEDRO C#Cc1cccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000825226414 900034913 /nfs/dbraw/zinc/03/49/13/900034913.db2.gz GUQQMMGDBOVZPF-UHFFFAOYSA-N 1 0 385.305 3.557 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC000825275227 900085942 /nfs/dbraw/zinc/08/59/42/900085942.db2.gz AVOHYHAOONKBFD-IMFGXOCKSA-N 1 0 385.508 3.809 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000572228931 900111359 /nfs/dbraw/zinc/11/13/59/900111359.db2.gz VSVHPEGBVAPICB-UHFFFAOYSA-N 1 0 387.430 3.927 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000805898139 900150992 /nfs/dbraw/zinc/15/09/92/900150992.db2.gz AKHGVIJZWXLQJC-ZDUSSCGKSA-N 1 0 395.381 3.646 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OC)c(C(F)(F)F)c1)CC2 ZINC001143636770 900259108 /nfs/dbraw/zinc/25/91/08/900259108.db2.gz NKRCODXWLMNYBO-UHFFFAOYSA-N 1 0 398.425 3.934 20 30 GHEDRO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001143719312 900400592 /nfs/dbraw/zinc/40/05/92/900400592.db2.gz VTDKYVCZEMJMDD-JOCHJYFZSA-N 1 0 397.881 3.975 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)c2ncc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC000573716538 900605638 /nfs/dbraw/zinc/60/56/38/900605638.db2.gz YEXIZVDWOGURMQ-IBGZPJMESA-N 1 0 384.911 3.838 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844291474 900682325 /nfs/dbraw/zinc/68/23/25/900682325.db2.gz VTKMSYDQOGHRQX-WMLDXEAASA-N 1 0 388.468 3.734 20 30 GHEDRO C/C(=C\C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC001143886812 900689947 /nfs/dbraw/zinc/68/99/47/900689947.db2.gz HXTJSAXFRGRJEO-CPQFKCLQSA-N 1 0 393.325 3.567 20 30 GHEDRO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)CC1(C#N)CCC1 ZINC000886062513 900699328 /nfs/dbraw/zinc/69/93/28/900699328.db2.gz QQHGJXFUJLQPIK-HNNXBMFYSA-N 1 0 397.441 3.799 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844318785 900726598 /nfs/dbraw/zinc/72/65/98/900726598.db2.gz TYWYLLITSZSRBM-RDJZCZTQSA-N 1 0 388.468 3.640 20 30 GHEDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372045 900739210 /nfs/dbraw/zinc/73/92/10/900739210.db2.gz UFDMANBSFTYWSE-QGZVFWFLSA-N 1 0 379.338 3.651 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)c2)c1 ZINC000574671291 900959611 /nfs/dbraw/zinc/95/96/11/900959611.db2.gz VVNRFOUBMCSNRS-ZEQRLZLVSA-N 1 0 392.499 3.547 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000138115207 901069577 /nfs/dbraw/zinc/06/95/77/901069577.db2.gz XHRPTGCWDIHMMX-UHFFFAOYSA-N 1 0 383.414 3.904 20 30 GHEDRO C#CCN(C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000886578975 901176900 /nfs/dbraw/zinc/17/69/00/901176900.db2.gz SLZGOBQLHKESNO-IBGZPJMESA-N 1 0 388.511 3.577 20 30 GHEDRO C#CCN(C(=O)c1ccc(CSc2nc(C)cs2)cc1)C1CC[NH+](C)CC1 ZINC000886585195 901178261 /nfs/dbraw/zinc/17/82/61/901178261.db2.gz LZWJYGMFNXWOQT-UHFFFAOYSA-N 1 0 399.585 3.913 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000886688122 901228048 /nfs/dbraw/zinc/22/80/48/901228048.db2.gz KXNVKXAKDSRLCJ-LJQANCHMSA-N 1 0 397.544 3.988 20 30 GHEDRO C[NH+](C)C1CN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000646439119 914521323 /nfs/dbraw/zinc/52/13/23/914521323.db2.gz DPTCVBOJSZPMHZ-UHFFFAOYSA-N 1 0 387.299 3.754 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(C)ccc1Br)C(C)C ZINC001144204292 901283000 /nfs/dbraw/zinc/28/30/00/901283000.db2.gz NNZSERCGNWNNMW-INIZCTEOSA-N 1 0 380.330 3.581 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C2 ZINC000575868628 901408339 /nfs/dbraw/zinc/40/83/39/901408339.db2.gz FSKDVFWZXFAVRZ-YVEFUNNKSA-N 1 0 375.398 3.556 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)[C@H]1c1ccccc1 ZINC000575936812 901495720 /nfs/dbraw/zinc/49/57/20/901495720.db2.gz OVKACRBNUYPVRM-FYYLOGMGSA-N 1 0 399.498 3.639 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(C(F)(F)F)c1 ZINC000575954564 901512734 /nfs/dbraw/zinc/51/27/34/901512734.db2.gz BKYIQBBZYBLFDB-LPHOPBHVSA-N 1 0 379.426 3.898 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1)CC(F)(F)F ZINC000093771115 901565021 /nfs/dbraw/zinc/56/50/21/901565021.db2.gz ODPVAIBZDWPNII-SFHVURJKSA-N 1 0 382.474 3.743 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(C#N)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000576044500 901613568 /nfs/dbraw/zinc/61/35/68/901613568.db2.gz VUGPYDJTVCBTMM-IFMALSPDSA-N 1 0 392.459 3.543 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C(F)(F)Cc3ccccc3)CC2)c1 ZINC000845003129 901633597 /nfs/dbraw/zinc/63/35/97/901633597.db2.gz RFLBGCKQBWAMEJ-UHFFFAOYSA-N 1 0 383.442 3.517 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)CCc2cccc(Br)c2)c1C#N ZINC000576083782 901665355 /nfs/dbraw/zinc/66/53/55/901665355.db2.gz ZUPLXZPWNXSDAI-UHFFFAOYSA-N 1 0 387.277 3.782 20 30 GHEDRO N#Cc1ccc(COC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000845120748 901805428 /nfs/dbraw/zinc/80/54/28/901805428.db2.gz CMZCVUBEWHUMFN-KRWDZBQOSA-N 1 0 397.406 3.561 20 30 GHEDRO COc1ccc(F)cc1CN1CCC([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171195752 902289285 /nfs/dbraw/zinc/28/92/85/902289285.db2.gz UFJXSXQFTJCWCZ-KRWDZBQOSA-N 1 0 381.495 3.891 20 30 GHEDRO CON(C[C@H]1CCC[C@H](C)C1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845745694 902361943 /nfs/dbraw/zinc/36/19/43/902361943.db2.gz BSNAVZCYYJYXPT-ICSRJNTNSA-N 1 0 398.551 3.922 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000845773445 902379140 /nfs/dbraw/zinc/37/91/40/902379140.db2.gz PSBHCYXFYLACFX-UHFFFAOYSA-N 1 0 396.447 3.560 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)cc1 ZINC001144571733 902403867 /nfs/dbraw/zinc/40/38/67/902403867.db2.gz GQDBEVCWGSMHRA-UKILVPOCSA-N 1 0 388.511 3.612 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC001144572094 902403922 /nfs/dbraw/zinc/40/39/22/902403922.db2.gz PNRZJPHBWCVFPJ-DEOSSOPVSA-N 1 0 376.475 3.822 20 30 GHEDRO COc1cc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)ccc1OCC(F)(F)F ZINC000846007882 902587389 /nfs/dbraw/zinc/58/73/89/902587389.db2.gz RCPCBBICAZKIQF-KRWDZBQOSA-N 1 0 394.393 3.673 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CC)CC1 ZINC000577314858 902671741 /nfs/dbraw/zinc/67/17/41/902671741.db2.gz BAZNQPRULJKNOP-UHFFFAOYSA-N 1 0 376.508 3.520 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001171212243 902696505 /nfs/dbraw/zinc/69/65/05/902696505.db2.gz LCBOXSRMMIPYIO-IBGZPJMESA-N 1 0 395.572 3.918 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001171215557 902748463 /nfs/dbraw/zinc/74/84/63/902748463.db2.gz AOCKJNXJJOGOGV-CJXUKZFBSA-N 1 0 397.544 3.642 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001171217909 902772164 /nfs/dbraw/zinc/77/21/64/902772164.db2.gz SETHQOUVZJWGMT-VCFYHUQZSA-N 1 0 391.515 3.580 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)C2)c(F)c1 ZINC000577456222 902786814 /nfs/dbraw/zinc/78/68/14/902786814.db2.gz UFXLFBRDJIFHSV-YLJYHZDGSA-N 1 0 382.487 3.695 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001171218775 902821856 /nfs/dbraw/zinc/82/18/56/902821856.db2.gz WTFFITWWYPNLPW-KKPKCPPISA-N 1 0 388.515 3.531 20 30 GHEDRO CCOc1ccc([C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)c2ccccc2)cc1 ZINC000600717307 902840283 /nfs/dbraw/zinc/84/02/83/902840283.db2.gz KARWEBSDUODZBJ-FYYLOGMGSA-N 1 0 394.515 3.836 20 30 GHEDRO Cc1cccc(NC(=O)Nc2cccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)c2)c1 ZINC000600716319 902840366 /nfs/dbraw/zinc/84/03/66/902840366.db2.gz JUEXXVZDEHBCGQ-HXUWFJFHSA-N 1 0 378.476 3.783 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000600723895 902846469 /nfs/dbraw/zinc/84/64/69/902846469.db2.gz ZMKMVDKDQHLSKW-GOSISDBHSA-N 1 0 378.394 3.539 20 30 GHEDRO Cc1ccc(C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)c2ccccn2)cc1 ZINC000600726410 902848578 /nfs/dbraw/zinc/84/85/78/902848578.db2.gz STUMLWARHHEXCY-GGAORHGYSA-N 1 0 387.483 3.575 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000600735606 902858312 /nfs/dbraw/zinc/85/83/12/902858312.db2.gz MNUUNKKKGKHROF-SZMVWBNQSA-N 1 0 382.426 3.612 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000600736625 902859414 /nfs/dbraw/zinc/85/94/14/902859414.db2.gz SJNHXVNOMZMACX-GOSISDBHSA-N 1 0 382.335 3.602 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC/C=C/c2ccc(Br)cc2)CCOCC1 ZINC000600746166 902868374 /nfs/dbraw/zinc/86/83/74/902868374.db2.gz LHXKINYUILMEJG-ZDBPOJEVSA-N 1 0 393.325 3.513 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001171221412 902889740 /nfs/dbraw/zinc/88/97/40/902889740.db2.gz MQIZLNWWJTXYOX-WAIKUNEKSA-N 1 0 395.453 3.896 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600855970 903012430 /nfs/dbraw/zinc/01/24/30/903012430.db2.gz IVZXOPRHIHGTII-NRFANRHFSA-N 1 0 379.504 3.715 20 30 GHEDRO CC[NH+]1CCC(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)(c2ccccc2)CC1 ZINC001144858192 903045511 /nfs/dbraw/zinc/04/55/11/903045511.db2.gz WVDSTAQDTPAWEI-UHFFFAOYSA-N 1 0 387.487 3.735 20 30 GHEDRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000131193248 903068005 /nfs/dbraw/zinc/06/80/05/903068005.db2.gz WTXQEYUHZBTHQT-LJQANCHMSA-N 1 0 377.536 3.747 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NCCSC)cc1 ZINC000131245052 903073368 /nfs/dbraw/zinc/07/33/68/903073368.db2.gz KIGIVJAVWVDFCA-UHFFFAOYSA-O 1 0 395.520 3.706 20 30 GHEDRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000577706048 903083218 /nfs/dbraw/zinc/08/32/18/903083218.db2.gz CMQYZBYDHBSREG-UHFFFAOYSA-N 1 0 395.528 3.546 20 30 GHEDRO N#CCSc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846612430 903090570 /nfs/dbraw/zinc/09/05/70/903090570.db2.gz TZYNSZKUFXACBR-UHFFFAOYSA-N 1 0 390.512 3.568 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887612434 903138015 /nfs/dbraw/zinc/13/80/15/903138015.db2.gz QIKJMYBXKWPKHS-UHFFFAOYSA-N 1 0 377.463 3.925 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1ccccc1CC#N)[NH+]1CCCCC1 ZINC000601002826 903212854 /nfs/dbraw/zinc/21/28/54/903212854.db2.gz XSDBEAPBZPSAAE-OAQYLSRUSA-N 1 0 377.488 3.718 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000846827131 903219880 /nfs/dbraw/zinc/21/98/80/903219880.db2.gz YLJBGRWGQATVHL-GOSISDBHSA-N 1 0 390.531 3.906 20 30 GHEDRO Cc1ccc(C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000303387769 914726017 /nfs/dbraw/zinc/72/60/17/914726017.db2.gz XONDBZNEAHOPDV-FQEVSTJZSA-N 1 0 392.547 3.880 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccccc3CC#N)cc[nH+]2)CC1 ZINC001212836769 903506971 /nfs/dbraw/zinc/50/69/71/903506971.db2.gz CUWDTEMVFOTACP-UHFFFAOYSA-N 1 0 393.491 3.948 20 30 GHEDRO N#CC1(Nc2cncc(OC(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171277298 903528719 /nfs/dbraw/zinc/52/87/19/903528719.db2.gz KNUGEMHEJXVJKW-UHFFFAOYSA-N 1 0 376.382 3.950 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001146420592 903534907 /nfs/dbraw/zinc/53/49/07/903534907.db2.gz FXBGCUUZXXSBHY-QYZOEREBSA-N 1 0 393.572 3.569 20 30 GHEDRO C#CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC001146478526 903550716 /nfs/dbraw/zinc/55/07/16/903550716.db2.gz UBZBNHHKGZNSRT-LJQANCHMSA-N 1 0 376.500 3.980 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000887729958 903671088 /nfs/dbraw/zinc/67/10/88/903671088.db2.gz ZWTDREHOHYLGGP-NRFANRHFSA-N 1 0 389.455 3.580 20 30 GHEDRO CC1(C)CN([C@@H](CNC(=[NH2+])Nc2ccccc2)c2ccc(Cl)cc2)CCO1 ZINC000303387355 914740909 /nfs/dbraw/zinc/74/09/09/914740909.db2.gz BFACHSUIYJWJKA-IBGZPJMESA-N 1 0 386.927 3.919 20 30 GHEDRO COc1ccc(CN2CC[C@@H]2C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC001147578748 903827202 /nfs/dbraw/zinc/82/72/02/903827202.db2.gz PJSHIYMQLPCQMC-YTFSRNRJSA-N 1 0 389.499 3.568 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000772983764 903839561 /nfs/dbraw/zinc/83/95/61/903839561.db2.gz LQVAOYOZMCPSJT-HNAYVOBHSA-N 1 0 387.505 3.590 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(OC)c2)c1 ZINC000772985178 903948257 /nfs/dbraw/zinc/94/82/57/903948257.db2.gz UESZATPTLAPQIN-QFBILLFUSA-N 1 0 381.476 3.883 20 30 GHEDRO N#CC1CCC(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000578561842 903963385 /nfs/dbraw/zinc/96/33/85/903963385.db2.gz FYKSEWQTSWRMBG-FAFZWHIHSA-N 1 0 375.463 3.590 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(SC2CCCC2)cc1 ZINC000772984899 903979027 /nfs/dbraw/zinc/97/90/27/903979027.db2.gz PAJCJBSYAYSTRD-ANNUQZOISA-N 1 0 385.533 3.898 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000578586759 903986337 /nfs/dbraw/zinc/98/63/37/903986337.db2.gz ULNBKRRZQSHHNM-IBGZPJMESA-N 1 0 388.519 3.742 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(-c2ccccc2)n1 ZINC000151419726 904128139 /nfs/dbraw/zinc/12/81/39/904128139.db2.gz FQOHZSUSCDYYTQ-FPOVZHCZSA-N 1 0 382.533 3.608 20 30 GHEDRO CC(C)Oc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001148775062 904207326 /nfs/dbraw/zinc/20/73/26/904207326.db2.gz PDFWQXGNLFJFTK-FQEVSTJZSA-N 1 0 391.515 3.987 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000152214595 904245358 /nfs/dbraw/zinc/24/53/58/904245358.db2.gz JKICEEVCBAIIRL-UHFFFAOYSA-N 1 0 398.551 3.541 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)CC1 ZINC000152977875 904316217 /nfs/dbraw/zinc/31/62/17/904316217.db2.gz YYLUYSNEENZAKD-UHFFFAOYSA-N 1 0 399.413 3.654 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3nc4c(cc3C#N)COCC4)cc2)C1 ZINC000579075067 904330932 /nfs/dbraw/zinc/33/09/32/904330932.db2.gz XZWZYWRKRJTGQR-HDICACEKSA-N 1 0 390.531 3.538 20 30 GHEDRO N#CC1(N[C@@H]2CCc3c(F)cc(F)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001171349387 904339964 /nfs/dbraw/zinc/33/99/64/904339964.db2.gz ISWSXNVMKDYQOK-HXUWFJFHSA-N 1 0 381.470 3.970 20 30 GHEDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000159952838 904396621 /nfs/dbraw/zinc/39/66/21/904396621.db2.gz CPNWXYUCSFLHMM-AVRDEDQJSA-N 1 0 397.494 3.825 20 30 GHEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000889091664 904430648 /nfs/dbraw/zinc/43/06/48/904430648.db2.gz YWSQGGRWBKJSLX-GHTZIAJQSA-N 1 0 377.492 3.737 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000579299310 904492589 /nfs/dbraw/zinc/49/25/89/904492589.db2.gz RPSREPCZUVLELZ-TZIWHRDSSA-N 1 0 391.515 3.744 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCc4cc(F)c(F)cc4C3)CC2)cc1 ZINC001171455062 904719014 /nfs/dbraw/zinc/71/90/14/904719014.db2.gz ZFFXQYDXUFXOGF-OAQYLSRUSA-N 1 0 381.470 3.948 20 30 GHEDRO C#CCOc1cccc(Cl)c1CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000779155119 904758040 /nfs/dbraw/zinc/75/80/40/904758040.db2.gz BCMMQSWMVHSEFY-INIZCTEOSA-N 1 0 376.928 3.725 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2sc(SCC(C)C)nc2C)CC1 ZINC000826661738 904815179 /nfs/dbraw/zinc/81/51/79/904815179.db2.gz DJPDIQYMLGFURP-UHFFFAOYSA-N 1 0 381.611 3.899 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000188100607 904873340 /nfs/dbraw/zinc/87/33/40/904873340.db2.gz RXJZNBKOGIRSIB-UHFFFAOYSA-N 1 0 392.503 3.864 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1C[C@H](C)N(Cc3ccccc3)C1)CC2 ZINC001171750343 904977643 /nfs/dbraw/zinc/97/76/43/904977643.db2.gz KSIVCVLPXDIUKJ-FJIJXJHWSA-N 1 0 381.564 3.683 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c(-n2cc(Cl)cn2)n1 ZINC000189058052 905025035 /nfs/dbraw/zinc/02/50/35/905025035.db2.gz IFLSQQQEDSSWBI-UHFFFAOYSA-N 1 0 380.883 3.645 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](C)[C@H]3CCO)sc2C1 ZINC001171835504 905085844 /nfs/dbraw/zinc/08/58/44/905085844.db2.gz ZZTFZTULSCPYML-IIDMSEBBSA-N 1 0 389.565 3.556 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCCN(C(=O)c3ccccc3)CC1)C2 ZINC001171892739 905126391 /nfs/dbraw/zinc/12/63/91/905126391.db2.gz DKMMVRBUFXASAI-AOHZBQACSA-N 1 0 398.547 3.507 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000173886249 905155223 /nfs/dbraw/zinc/15/52/23/905155223.db2.gz XLLVPHCLHLZGJL-DLBZAZTESA-N 1 0 378.476 3.631 20 30 GHEDRO COC(=O)c1ccc(C(=NO)N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171963901 905171279 /nfs/dbraw/zinc/17/12/79/905171279.db2.gz FSVVHAJDLNEKTO-FQEVSTJZSA-N 1 0 395.503 3.642 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1ccc(C#N)cc1)C2 ZINC001172094566 905315853 /nfs/dbraw/zinc/31/58/53/905315853.db2.gz LQGPJDKOFOVTJH-LDLYASANSA-N 1 0 385.508 3.847 20 30 GHEDRO COC(=O)c1cc(Br)ccc1C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172301725 905455134 /nfs/dbraw/zinc/45/51/34/905455134.db2.gz VQFMEGMIJJHMDD-CYBMUJFWSA-N 1 0 387.277 3.828 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC001172305931 905461540 /nfs/dbraw/zinc/46/15/40/905461540.db2.gz HNOSIHOOSCTDIY-AUSIDOKSSA-N 1 0 387.527 3.970 20 30 GHEDRO CCN1CC[C@@]2(C[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001172307432 905463068 /nfs/dbraw/zinc/46/30/68/905463068.db2.gz GYPJSKYWXHYWQV-NIDLKEISSA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001172309564 905467196 /nfs/dbraw/zinc/46/71/96/905467196.db2.gz ULONAFIBURAEHX-XXBNENTESA-N 1 0 391.515 3.725 20 30 GHEDRO Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 ZINC001172311332 905469322 /nfs/dbraw/zinc/46/93/22/905469322.db2.gz ROTNHRZQIKFLJN-FQEVSTJZSA-N 1 0 385.515 3.806 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172314891 905471116 /nfs/dbraw/zinc/47/11/16/905471116.db2.gz MFWXGDKMGHTUHN-GOSISDBHSA-N 1 0 399.535 3.591 20 30 GHEDRO CCCCCCC[C@H](CC)[NH2+]CC(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC001172350289 905519374 /nfs/dbraw/zinc/51/93/74/905519374.db2.gz MOUFDXPNOXOOFS-FXAWDEMLSA-N 1 0 394.556 3.582 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001172358831 905526511 /nfs/dbraw/zinc/52/65/11/905526511.db2.gz SGYSIDDUBWNIRB-NNXSRULWSA-N 1 0 394.600 3.996 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001172356153 905526629 /nfs/dbraw/zinc/52/66/29/905526629.db2.gz USOSLTSHGUBEIQ-YSFYHYPLSA-N 1 0 394.600 3.569 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]C1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172478052 905556102 /nfs/dbraw/zinc/55/61/02/905556102.db2.gz BBBCUJVMVFNDBN-QGZVFWFLSA-N 1 0 378.561 3.522 20 30 GHEDRO C[C@H](CCCC#N)N([C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1)S(C)(=O)=O ZINC001172493833 905597307 /nfs/dbraw/zinc/59/73/07/905597307.db2.gz WBGWCWMYOBBLGK-QMMLZNLJSA-N 1 0 385.533 3.772 20 30 GHEDRO CCCCCCC[C@H](CCC)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001172509015 905604108 /nfs/dbraw/zinc/60/41/08/905604108.db2.gz RJYPFQQZKXFXDB-INIZCTEOSA-N 1 0 385.574 3.611 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172630895 905692902 /nfs/dbraw/zinc/69/29/02/905692902.db2.gz CRBYNZTZROHLSP-ROUUACIJSA-N 1 0 381.561 3.617 20 30 GHEDRO CCCC[C@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001172632612 905694278 /nfs/dbraw/zinc/69/42/78/905694278.db2.gz IQMUWOOFBVCXAP-MSOLQXFVSA-N 1 0 378.561 3.522 20 30 GHEDRO C#C[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172685224 905736315 /nfs/dbraw/zinc/73/63/15/905736315.db2.gz VBXONUYHVAMKJV-AZUAARDMSA-N 1 0 382.529 3.507 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000176558165 905873505 /nfs/dbraw/zinc/87/35/05/905873505.db2.gz BYTVTQZWVSKDON-UHFFFAOYSA-N 1 0 393.491 3.638 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C[C@H]1C#N ZINC001172966094 906026595 /nfs/dbraw/zinc/02/65/95/906026595.db2.gz MDRDIVIGEURNPC-VYDXJSESSA-N 1 0 375.444 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2Cl)C[C@H]1C#N ZINC001172967652 906030164 /nfs/dbraw/zinc/03/01/64/906030164.db2.gz ZEKLEWFHMJGRGT-GJZGRUSLSA-N 1 0 379.888 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCSCc2ccc(F)cc2)C[C@H]1C#N ZINC001172971443 906032896 /nfs/dbraw/zinc/03/28/96/906032896.db2.gz PRFJXXKBRUFPFT-MSOLQXFVSA-N 1 0 393.528 3.940 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C(=O)c3ccccc3)CC2)C[C@H]1C#N ZINC001172979206 906045560 /nfs/dbraw/zinc/04/55/60/906045560.db2.gz CINDCYHWELKGCS-UXHICEINSA-N 1 0 397.519 3.873 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)[C@H](O)c1ccc(Cl)cc1 ZINC001172981190 906047591 /nfs/dbraw/zinc/04/75/91/906047591.db2.gz KMAJXIWQGSJBLO-MGHWNKPDSA-N 1 0 393.915 3.643 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC001172981186 906047849 /nfs/dbraw/zinc/04/78/49/906047849.db2.gz KMAJXIWQGSJBLO-HNONPPJISA-N 1 0 393.915 3.643 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](N2CCCC[C@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986553 906052185 /nfs/dbraw/zinc/05/21/85/906052185.db2.gz XKJWLOFTHORNRX-UFYCRDLUSA-N 1 0 390.572 3.618 20 30 GHEDRO C=CCOC1CCC([NH2+][C@H]2COC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001173311114 906364009 /nfs/dbraw/zinc/36/40/09/906364009.db2.gz DWIOREXLNOCMAF-JLAWEPINSA-N 1 0 394.556 3.648 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCOCC3)C2)CC1 ZINC001173334969 906377155 /nfs/dbraw/zinc/37/71/55/906377155.db2.gz BIYDRDGDAKDNEA-XMJKJUTBSA-N 1 0 390.568 3.773 20 30 GHEDRO CCn1ncc2c1C[N@@H+](C1CCC(CC#N)CC1)C[C@@H]2COc1cccnc1 ZINC001173336015 906379503 /nfs/dbraw/zinc/37/95/03/906379503.db2.gz KLMKXAYTYBBXIC-JLAWEPINSA-N 1 0 379.508 3.749 20 30 GHEDRO CN(C)CC[N@H+](C1CCC(CC#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001173339405 906381359 /nfs/dbraw/zinc/38/13/59/906381359.db2.gz GSJPSMRVSQEQEZ-UHFFFAOYSA-N 1 0 392.588 3.722 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC1 ZINC001173320445 906390745 /nfs/dbraw/zinc/39/07/45/906390745.db2.gz NPUJTOQIWLPDOK-ZSHKSDETSA-N 1 0 380.532 3.901 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)CC1 ZINC001173320380 906391299 /nfs/dbraw/zinc/39/12/99/906391299.db2.gz HFNYFQZRDDQJAD-AJTFCVKESA-N 1 0 394.556 3.602 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C#N)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC001173379748 906410528 /nfs/dbraw/zinc/41/05/28/906410528.db2.gz QJTAIYLBDCBPMR-RCCFBDPRSA-N 1 0 392.540 3.690 20 30 GHEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424809 906460244 /nfs/dbraw/zinc/46/02/44/906460244.db2.gz LKDBIJMSEVUCDI-KRWDZBQOSA-N 1 0 399.498 3.919 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001173425599 906461374 /nfs/dbraw/zinc/46/13/74/906461374.db2.gz ZOXKZHNYJMMXLR-QVKFZJNVSA-N 1 0 397.906 3.528 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CC3(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC001173426484 906463649 /nfs/dbraw/zinc/46/36/49/906463649.db2.gz AONNHYPYBSOLRM-UHFFFAOYSA-N 1 0 391.490 3.914 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CC3(CC4CCC4)CCOCC3)CC2)cc1 ZINC001173429618 906466878 /nfs/dbraw/zinc/46/68/78/906466878.db2.gz SRQVNTIOSHBLIP-UHFFFAOYSA-N 1 0 395.547 3.739 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH+]3CCC(Cc4ccncc4)CC3)CC2)cc1 ZINC001173434272 906470468 /nfs/dbraw/zinc/47/04/68/906470468.db2.gz INXZGFJNCDFYQY-UHFFFAOYSA-N 1 0 388.515 3.513 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC001173464405 906502914 /nfs/dbraw/zinc/50/29/14/906502914.db2.gz YXZJXZRGNFZSAA-HSZRJFAPSA-N 1 0 391.515 3.807 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@H]3C[N@@H+](C4CCC(C)(C#N)CC4)CC[C@]3(C1)O2 ZINC001173593748 906547064 /nfs/dbraw/zinc/54/70/64/906547064.db2.gz MVIFBLRVBJTUAI-JATCQMRFSA-N 1 0 389.540 3.559 20 30 GHEDRO Cc1nc(CN2CCO[C@@H]3CC[N@@H+](C4CCC(C)(C#N)CC4)CC[C@@H]32)cs1 ZINC001173596260 906550663 /nfs/dbraw/zinc/55/06/63/906550663.db2.gz PLTRGZPTJYFJQI-RKDVLTNBSA-N 1 0 388.581 3.589 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)CC1 ZINC001173595905 906551441 /nfs/dbraw/zinc/55/14/41/906551441.db2.gz BIPOKOSBRRZSKT-FQUBMZHMSA-N 1 0 386.515 3.612 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCC3(C[C@@H]3C(=O)OCC)CC1)C2 ZINC001173611813 906566243 /nfs/dbraw/zinc/56/62/43/906566243.db2.gz LSYPNNGHHXCDAW-PVHVISOTSA-N 1 0 388.552 3.532 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)CC2 ZINC001173621989 906569013 /nfs/dbraw/zinc/56/90/13/906569013.db2.gz HLLDYOOFIPZJCV-JVVKFSLBSA-N 1 0 382.504 3.913 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[C@@H](CC(=O)OCC)C3)CC2)C1 ZINC001173641406 906626458 /nfs/dbraw/zinc/62/64/58/906626458.db2.gz OONJAHZMTNCPGT-RTBURBONSA-N 1 0 392.540 3.609 20 30 GHEDRO N#CCCN1CC[NH+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173710531 906661228 /nfs/dbraw/zinc/66/12/28/906661228.db2.gz WAXMKAOMYPYRKJ-QHCPKHFHSA-N 1 0 375.516 3.654 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000180024573 906665921 /nfs/dbraw/zinc/66/59/21/906665921.db2.gz LZZXFIAEKQSKNE-GOSISDBHSA-N 1 0 378.476 3.717 20 30 GHEDRO CCN(C(=O)Cc1ccccc1CC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000777366479 906905081 /nfs/dbraw/zinc/90/50/81/906905081.db2.gz DIMVHFYFZVJSOD-XXBNENTESA-N 1 0 375.516 3.979 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181563339 907026772 /nfs/dbraw/zinc/02/67/72/907026772.db2.gz USNXWBLXMDHWJH-GOSISDBHSA-N 1 0 379.504 3.648 20 30 GHEDRO N#CCc1ccccc1CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000777375801 907077075 /nfs/dbraw/zinc/07/70/75/907077075.db2.gz HCHRWHFLTAZZTG-UHFFFAOYSA-N 1 0 375.516 3.988 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181884857 907095288 /nfs/dbraw/zinc/09/52/88/907095288.db2.gz VZTXKOZNVUKUJT-IAGOWNOFSA-N 1 0 395.532 3.583 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(F)c(Br)cc3C#N)cc2)CC1 ZINC001174817102 907216624 /nfs/dbraw/zinc/21/66/24/907216624.db2.gz FUOZVKSIEAYXOD-UHFFFAOYSA-N 1 0 389.272 3.955 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000779474814 907259829 /nfs/dbraw/zinc/25/98/29/907259829.db2.gz JUHUKDIXYFQXAC-UHFFFAOYSA-N 1 0 376.378 3.940 20 30 GHEDRO Cc1ccc(C[C@]2(C)CCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)cc1 ZINC001175035969 907346715 /nfs/dbraw/zinc/34/67/15/907346715.db2.gz MQJDICXCJLGHCN-VWLOTQADSA-N 1 0 386.495 3.692 20 30 GHEDRO Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)cc1 ZINC001175035968 907347380 /nfs/dbraw/zinc/34/73/80/907347380.db2.gz MQJDICXCJLGHCN-RUZDIDTESA-N 1 0 386.495 3.692 20 30 GHEDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001175697254 907672534 /nfs/dbraw/zinc/67/25/34/907672534.db2.gz BQHSUJGKHWLNIS-KRWDZBQOSA-N 1 0 398.494 3.637 20 30 GHEDRO C#CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129585 907951395 /nfs/dbraw/zinc/95/13/95/907951395.db2.gz FJXDZMHRCCUDCU-CQSZACIVSA-N 1 0 375.340 3.905 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2)[n+]1ccc(C)cc1 ZINC000186962336 908012124 /nfs/dbraw/zinc/01/21/24/908012124.db2.gz KFJPNCDFCSDVEJ-GVDBMIGSSA-O 1 0 384.525 3.604 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H]1CCCC[C@H]1C)[n+]1ccc(C)cc1 ZINC000186963082 908012723 /nfs/dbraw/zinc/01/27/23/908012723.db2.gz ZNQOPDDUMLYEPY-RHSMWYFYSA-O 1 0 386.541 3.994 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(Nc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001176261625 908028475 /nfs/dbraw/zinc/02/84/75/908028475.db2.gz FDEWZRVDKDKZNA-UHFFFAOYSA-N 1 0 386.477 3.762 20 30 GHEDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001176505968 908145760 /nfs/dbraw/zinc/14/57/60/908145760.db2.gz YAMRQZZKQGDMCO-KDOFPFPSSA-N 1 0 389.565 3.746 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000192136471 908728886 /nfs/dbraw/zinc/72/88/86/908728886.db2.gz NWVWLZHWDSAABH-ONGXBYRLSA-N 1 0 399.441 3.720 20 30 GHEDRO N#CC(CCN1CC[NH+](C[C@@H]2CCOC2)CC1)(c1ccccc1)c1ccccc1 ZINC000193063032 908848325 /nfs/dbraw/zinc/84/83/25/908848325.db2.gz CHOPFYYNTUVEDM-QFIPXVFZSA-N 1 0 389.543 3.540 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2OCC#N)c2cccs2)CC1 ZINC000194053211 908856331 /nfs/dbraw/zinc/85/63/31/908856331.db2.gz PFMGQROZWQYJJD-SFHVURJKSA-N 1 0 383.517 3.853 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccccc2OCC#N)C1 ZINC000194165822 908862670 /nfs/dbraw/zinc/86/26/70/908862670.db2.gz WCFRRZIGDCWKSM-RTBURBONSA-N 1 0 391.515 3.997 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1)c1ccccc1 ZINC001178328712 909018636 /nfs/dbraw/zinc/01/86/36/909018636.db2.gz HAFSDOOGSLNKAQ-VXNXHJTFSA-N 1 0 396.494 3.678 20 30 GHEDRO C#CC[N@H+](C)CCCNCc1cc(Br)c(C)cc1Br ZINC001178826722 909249168 /nfs/dbraw/zinc/24/91/68/909249168.db2.gz HBWUCKXWXGGCAR-UHFFFAOYSA-N 1 0 388.147 3.565 20 30 GHEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc(Br)sc1Br ZINC001179286002 909449155 /nfs/dbraw/zinc/44/91/55/909449155.db2.gz WBUIAXQYVUMTKZ-JTQLQIEISA-N 1 0 381.133 3.791 20 30 GHEDRO C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000267314943 909449315 /nfs/dbraw/zinc/44/93/15/909449315.db2.gz IUQFTDFWAXZBKA-SFHVURJKSA-N 1 0 376.504 3.925 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)ccc1C#N ZINC001179328398 909489946 /nfs/dbraw/zinc/48/99/46/909489946.db2.gz RBRQUHNICJJHDP-PIKADFDJSA-N 1 0 385.508 3.833 20 30 GHEDRO COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1C#N ZINC001179328397 909490424 /nfs/dbraw/zinc/49/04/24/909490424.db2.gz RBRQUHNICJJHDP-OAOYMFHYSA-N 1 0 385.508 3.833 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000267503925 909534327 /nfs/dbraw/zinc/53/43/27/909534327.db2.gz VQFCPPBTSBEXQS-XLIONFOSSA-N 1 0 378.476 3.764 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000245544338 909718526 /nfs/dbraw/zinc/71/85/26/909718526.db2.gz SAAQSHPQFDLMSL-NVXWUHKLSA-N 1 0 398.894 3.877 20 30 GHEDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000245732986 909867403 /nfs/dbraw/zinc/86/74/03/909867403.db2.gz CPNWXYUCSFLHMM-XMSQKQJNSA-N 1 0 397.494 3.825 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000795335084 909964318 /nfs/dbraw/zinc/96/43/18/909964318.db2.gz UJCLOMMJBOCNCP-DOTOQJQBSA-N 1 0 377.513 3.660 20 30 GHEDRO C=CCSCC(=O)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001180559918 910237171 /nfs/dbraw/zinc/23/71/71/910237171.db2.gz MHAZJCKASLBZAW-UHFFFAOYSA-N 1 0 388.577 3.578 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)N[C@@H](C)CC)cc1 ZINC000299665014 921561949 /nfs/dbraw/zinc/56/19/49/921561949.db2.gz YMBTXNFGGZMHAY-AWEZNQCLSA-O 1 0 385.509 3.592 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC001202782830 910489019 /nfs/dbraw/zinc/48/90/19/910489019.db2.gz FZSYRBMHGPKNCY-STZQEDGTSA-N 1 0 389.503 3.718 20 30 GHEDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)OC ZINC000270788738 910702159 /nfs/dbraw/zinc/70/21/59/910702159.db2.gz JKVJAHLBCRSJBV-HNNXBMFYSA-N 1 0 391.537 3.588 20 30 GHEDRO CN(C(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)C1(C#N)CCCCC1 ZINC000246896212 910738121 /nfs/dbraw/zinc/73/81/21/910738121.db2.gz BHVZDOMUGBZORM-RBUKOAKNSA-N 1 0 387.524 3.633 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000271141722 910792393 /nfs/dbraw/zinc/79/23/93/910792393.db2.gz ALARGMWMRQFJKM-UHFFFAOYSA-N 1 0 376.500 3.825 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC1CCC(C#N)(c2ccccc2)CC1 ZINC000271244343 910831602 /nfs/dbraw/zinc/83/16/02/910831602.db2.gz BSGITDLDHNONHW-UHFFFAOYSA-N 1 0 376.504 3.663 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000366484097 921645248 /nfs/dbraw/zinc/64/52/48/921645248.db2.gz ZYWLNBRDFGDDEI-LPHOPBHVSA-N 1 0 385.508 3.857 20 30 GHEDRO C=CCCO[C@H](C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366517485 921661526 /nfs/dbraw/zinc/66/15/26/921661526.db2.gz VBXHYEASBGKJCY-UYAOXDASSA-N 1 0 382.508 3.558 20 30 GHEDRO Cc1cc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc(C)c1O ZINC001182338645 911506781 /nfs/dbraw/zinc/50/67/81/911506781.db2.gz LKSQNSHDJPGIBK-UHFFFAOYSA-N 1 0 391.515 3.616 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnc(-c4ccccn4)s3)CC2)nc1 ZINC000092854091 911863270 /nfs/dbraw/zinc/86/32/70/911863270.db2.gz VDFYBQRYVITPFJ-UHFFFAOYSA-N 1 0 391.500 3.952 20 30 GHEDRO Cn1ccnc1[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCOCC1 ZINC000284522450 911908433 /nfs/dbraw/zinc/90/84/33/911908433.db2.gz DZJRPOQLGLVHQY-WQMHRJNTSA-N 1 0 378.520 3.882 20 30 GHEDRO Cc1cc(N2CCN(C(=O)[C@@H](C)c3ccc(C#N)cc3)CC2)c2ccccc2[nH+]1 ZINC001182787084 912051162 /nfs/dbraw/zinc/05/11/62/912051162.db2.gz JQEFXHFMKLOJAQ-SFHVURJKSA-N 1 0 384.483 3.867 20 30 GHEDRO C#Cc1cc(NC(=O)C[C@@H]2C[N@H+](C(c3ccccc3)c3ccccc3)[C@@H]2C)ccn1 ZINC001186933649 914881967 /nfs/dbraw/zinc/88/19/67/914881967.db2.gz DFWWFJHQAFBYJU-DENIHFKCSA-N 1 0 395.506 3.923 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000303541244 914906679 /nfs/dbraw/zinc/90/66/79/914906679.db2.gz HXBHNAGQFLLJJM-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCCSc2ccc(Cl)cc2)cc1OC ZINC000303769842 915119584 /nfs/dbraw/zinc/11/95/84/915119584.db2.gz BFGNEJHHOUZYBU-UHFFFAOYSA-N 1 0 379.913 3.554 20 30 GHEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2cccc(OC)c2)N2CCCCC2)cc1 ZINC000303771101 915120248 /nfs/dbraw/zinc/12/02/48/915120248.db2.gz CKFIKFGHSMHXAE-OAQYLSRUSA-N 1 0 382.508 3.658 20 30 GHEDRO CN(C)C(NCc1ccc(NC(=O)c2ccco2)cc1)=[NH+]Cc1ccccc1 ZINC000303781033 915126034 /nfs/dbraw/zinc/12/60/34/915126034.db2.gz LYAOJVMZXPXOLF-UHFFFAOYSA-N 1 0 376.460 3.739 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000647408560 915212325 /nfs/dbraw/zinc/21/23/25/915212325.db2.gz UNEMGNWLBBKKLA-KRWDZBQOSA-N 1 0 393.457 3.670 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cccc(CN3CCO[C@@H](C)C3)c2)c1 ZINC000303865852 915224597 /nfs/dbraw/zinc/22/45/97/915224597.db2.gz BUUAYYVDSYOVIV-SFHVURJKSA-N 1 0 380.536 3.958 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000303881809 915294931 /nfs/dbraw/zinc/29/49/31/915294931.db2.gz HWATYFBDSLQZGX-UHFFFAOYSA-N 1 0 382.386 3.737 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1 ZINC000303880468 915295086 /nfs/dbraw/zinc/29/50/86/915295086.db2.gz HEVRNVAURFAHLJ-IRXDYDNUSA-N 1 0 381.524 3.745 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccc(C(=O)OCc3ccccc3)c2)cc1 ZINC000303977095 915345472 /nfs/dbraw/zinc/34/54/72/915345472.db2.gz KXKCOMIIXPIYTQ-UHFFFAOYSA-N 1 0 389.455 3.979 20 30 GHEDRO C#CC[NH+]1CCC(Nc2ncnc3scc(-c4ccc(OC)cc4)c32)CC1 ZINC001187662472 915420792 /nfs/dbraw/zinc/42/07/92/915420792.db2.gz CGAMMMHXHSCFSJ-UHFFFAOYSA-N 1 0 378.501 3.876 20 30 GHEDRO CON(C)C(=O)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000291953413 915438699 /nfs/dbraw/zinc/43/86/99/915438699.db2.gz UQUQBQRMSZDZOP-UHFFFAOYSA-N 1 0 391.515 3.618 20 30 GHEDRO [NH2+]=C(NCc1cc(F)ccc1Br)N[C@@H]1CCOc2ccccc21 ZINC000304476152 915516388 /nfs/dbraw/zinc/51/63/88/915516388.db2.gz HOHZLBSGKGPHFA-OAHLLOKOSA-N 1 0 378.245 3.516 20 30 GHEDRO [NH2+]=C(NCc1ccc(OCc2ccccn2)cc1)N[C@H]1CCOc2ccccc21 ZINC000304471962 915517031 /nfs/dbraw/zinc/51/70/31/915517031.db2.gz FFFJEFDKUCQIHY-NRFANRHFSA-N 1 0 388.471 3.589 20 30 GHEDRO CC(C)[C@@H](CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1)N1CCOCC1 ZINC000304483026 915524599 /nfs/dbraw/zinc/52/45/99/915524599.db2.gz KIFOGIXQOKHIQI-OAQYLSRUSA-N 1 0 382.508 3.562 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000304642278 915585204 /nfs/dbraw/zinc/58/52/04/915585204.db2.gz CXDLUGAXRQYGFD-MRXNPFEDSA-N 1 0 386.540 3.939 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2CCC2)[n+]2cccc(CO)c2)c(C)c(C)c1C ZINC000292318090 915614794 /nfs/dbraw/zinc/61/47/94/915614794.db2.gz MANHOBGKCWNOJP-UHFFFAOYSA-O 1 0 397.564 3.781 20 30 GHEDRO CCC(CC)(CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)NC(=O)OC(C)(C)C ZINC000304754072 915670565 /nfs/dbraw/zinc/67/05/65/915670565.db2.gz YSEDQSDOEMQIDF-UHFFFAOYSA-N 1 0 394.516 3.514 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001188012877 915705623 /nfs/dbraw/zinc/70/56/23/915705623.db2.gz HTHYNAGMQGPHIS-UHFFFAOYSA-N 1 0 385.549 3.680 20 30 GHEDRO CCOc1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1OC(F)F ZINC000305011744 915834165 /nfs/dbraw/zinc/83/41/65/915834165.db2.gz KRBAFHYMJBNGLU-OAHLLOKOSA-N 1 0 391.418 3.615 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCOc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000305091778 915916179 /nfs/dbraw/zinc/91/61/79/915916179.db2.gz PYMYQWAUTJCBJY-UHFFFAOYSA-N 1 0 388.777 3.568 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccccc1OC(F)(F)F ZINC000305191231 915989826 /nfs/dbraw/zinc/98/98/26/915989826.db2.gz CZUQZTVTCNCYOS-UHFFFAOYSA-N 1 0 392.381 3.639 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1O ZINC000098051257 916117936 /nfs/dbraw/zinc/11/79/36/916117936.db2.gz OQBSHXUPJNNYMI-UHFFFAOYSA-N 1 0 392.503 3.942 20 30 GHEDRO Cc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)nc(N2CCCC2)n1 ZINC000293330655 916128590 /nfs/dbraw/zinc/12/85/90/916128590.db2.gz GAAFDSOAEHJPKH-UHFFFAOYSA-N 1 0 375.520 3.879 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)c1cccc(CC#N)c1)CC2 ZINC001188668493 916131964 /nfs/dbraw/zinc/13/19/64/916131964.db2.gz ZHEQUVDHBCOKEC-UHFFFAOYSA-N 1 0 388.515 3.664 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)CC2)CC1 ZINC000293507136 916236439 /nfs/dbraw/zinc/23/64/39/916236439.db2.gz MMCUJGZYHZJYFZ-UHFFFAOYSA-N 1 0 394.441 3.745 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)ccc3F)CC2)C1=O ZINC001275715094 916313650 /nfs/dbraw/zinc/31/36/50/916313650.db2.gz LXRCWOORJBOSNW-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO CCN(CC)C(=[NH2+])NCCOc1ccc(Br)cc1C(F)(F)F ZINC000305751288 916325951 /nfs/dbraw/zinc/32/59/51/916325951.db2.gz RUMPBVBGXLJJPO-UHFFFAOYSA-N 1 0 382.224 3.503 20 30 GHEDRO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CCc1cccc(Br)c1)CC2 ZINC001275751560 916873265 /nfs/dbraw/zinc/87/32/65/916873265.db2.gz BAPPUFILSIDFFR-SFHVURJKSA-N 1 0 391.353 3.786 20 30 GHEDRO C[N@H+](Cc1cccc(Br)c1OCC(C)(C)O)[C@@H]1CC[C@@H](C#N)C1 ZINC000294682955 916931449 /nfs/dbraw/zinc/93/14/49/916931449.db2.gz SQFFXJVEUUSDAI-UKRRQHHQSA-N 1 0 381.314 3.723 20 30 GHEDRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000362014023 917033615 /nfs/dbraw/zinc/03/36/15/917033615.db2.gz RPWIRINEWVIIRJ-MRXNPFEDSA-N 1 0 396.487 3.604 20 30 GHEDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000775372442 917233135 /nfs/dbraw/zinc/23/31/35/917233135.db2.gz AVJPKEWPFJQPSJ-GJZGRUSLSA-N 1 0 399.516 3.942 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC001190347731 917275807 /nfs/dbraw/zinc/27/58/07/917275807.db2.gz FHEGYGSKIFMXDA-KNQAVFIVSA-N 1 0 387.524 3.531 20 30 GHEDRO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001190846912 917597918 /nfs/dbraw/zinc/59/79/18/917597918.db2.gz LCTOFTADEIJJLM-GOSISDBHSA-N 1 0 383.923 3.935 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000295926990 917619529 /nfs/dbraw/zinc/61/95/29/917619529.db2.gz KKPNALNVIPKDJZ-OAQYLSRUSA-N 1 0 395.551 3.664 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295970991 917681335 /nfs/dbraw/zinc/68/13/35/917681335.db2.gz NVBMGMGXSAEQIW-TYPHKJRUSA-N 1 0 395.551 3.805 20 30 GHEDRO C#CC[N@H+](C[C@@H]1C[C@]12CCOC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC001191038821 917721018 /nfs/dbraw/zinc/72/10/18/917721018.db2.gz NACJJFNCKMFHCI-YJLNNSPDSA-N 1 0 376.294 3.635 20 30 GHEDRO C#CC[N@H+](C[C@@H]1C[C@@]12CCOC2)[C@H]1CCOc2ccc(Br)cc21 ZINC001191038820 917721346 /nfs/dbraw/zinc/72/13/46/917721346.db2.gz NACJJFNCKMFHCI-UCLAIMLFSA-N 1 0 376.294 3.635 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(OCCOC)CCOCC2)cc1 ZINC000296254621 918056631 /nfs/dbraw/zinc/05/66/31/918056631.db2.gz CZIIZNXGLQVGFZ-KRWDZBQOSA-N 1 0 383.916 3.681 20 30 GHEDRO CC[N@H+](Cc1cc(C#N)ccn1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001191592058 918064769 /nfs/dbraw/zinc/06/47/69/918064769.db2.gz WWDCYCUBDFTKPH-UHFFFAOYSA-N 1 0 378.524 3.666 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000296381826 918209790 /nfs/dbraw/zinc/20/97/90/918209790.db2.gz FTUHKOKHDAIPKP-NQUFMGSDSA-N 1 0 392.906 3.853 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2c(F)cc(C#N)cc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001191951099 918314318 /nfs/dbraw/zinc/31/43/18/918314318.db2.gz WZBOGYVAWXMGNO-IYARVYRRSA-N 1 0 394.425 3.620 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1CCC ZINC001191981391 918352399 /nfs/dbraw/zinc/35/23/99/918352399.db2.gz IVUHTIBJFOWREJ-SFHVURJKSA-N 1 0 386.927 3.858 20 30 GHEDRO C=CCc1cc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000654657792 919276451 /nfs/dbraw/zinc/27/64/51/919276451.db2.gz UCYHTJLVSOAKSI-NRFANRHFSA-N 1 0 394.515 3.571 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000114688630 919409735 /nfs/dbraw/zinc/40/97/35/919409735.db2.gz IDEQANGOUJVFKN-NRFANRHFSA-N 1 0 389.499 3.884 20 30 GHEDRO COc1ccc(C2(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)CCCCC2)cc1 ZINC000115598289 919459513 /nfs/dbraw/zinc/45/95/13/919459513.db2.gz LANXMZPHSHPFGU-OAQYLSRUSA-N 1 0 377.488 3.585 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000800409599 920042516 /nfs/dbraw/zinc/04/25/16/920042516.db2.gz OKPJNZNRLUSNQE-GOSISDBHSA-N 1 0 384.524 3.586 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)CC1 ZINC000800501416 920194125 /nfs/dbraw/zinc/19/41/25/920194125.db2.gz PBMUMDCELAEXQB-UHFFFAOYSA-N 1 0 387.574 3.753 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 ZINC000900545681 920388238 /nfs/dbraw/zinc/38/82/38/920388238.db2.gz DBGYRKHXQUJAGK-UHFFFAOYSA-N 1 0 399.457 3.767 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 ZINC000298316805 920391762 /nfs/dbraw/zinc/39/17/62/920391762.db2.gz YUEYIKIIFXWTRO-UHFFFAOYSA-N 1 0 380.492 3.689 20 30 GHEDRO N#C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1cccc(Cl)c1Cl ZINC000900632020 920473568 /nfs/dbraw/zinc/47/35/68/920473568.db2.gz FBXYRCIGGWTYOS-MQBCKMQZSA-N 1 0 396.318 3.565 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000298462044 920563514 /nfs/dbraw/zinc/56/35/14/920563514.db2.gz OFDMGKDNMHDJOG-JKLQHZFJSA-N 1 0 380.536 3.765 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000298462041 920563643 /nfs/dbraw/zinc/56/36/43/920563643.db2.gz OFDMGKDNMHDJOG-FKVLARQCSA-N 1 0 380.536 3.765 20 30 GHEDRO C=CCn1c(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1cccnc1 ZINC000298547504 920654184 /nfs/dbraw/zinc/65/41/84/920654184.db2.gz YNORCMBRJZPHDX-LJQANCHMSA-N 1 0 377.517 3.893 20 30 GHEDRO N#Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cnc1C(F)(F)F ZINC000298575627 920682884 /nfs/dbraw/zinc/68/28/84/920682884.db2.gz OFWIRBXKJWOGJL-INIZCTEOSA-N 1 0 386.377 3.597 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000298698358 920822671 /nfs/dbraw/zinc/82/26/71/920822671.db2.gz FKNCBAHPHYCZKA-UHFFFAOYSA-N 1 0 393.878 3.579 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(c3nccs3)CCCC1)CCC2 ZINC000298750186 920884541 /nfs/dbraw/zinc/88/45/41/920884541.db2.gz WKOSDSIFVAGGBJ-UHFFFAOYSA-N 1 0 386.546 3.953 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000368283764 922571266 /nfs/dbraw/zinc/57/12/66/922571266.db2.gz YQUDVYFXICVNIZ-IBGZPJMESA-N 1 0 378.495 3.782 20 30 GHEDRO Cc1ncccc1CC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000903418817 923003091 /nfs/dbraw/zinc/00/30/91/923003091.db2.gz OHXMPFDQIYLXTJ-KRWDZBQOSA-N 1 0 386.540 3.842 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000369743318 923592068 /nfs/dbraw/zinc/59/20/68/923592068.db2.gz YQWFTBOWHLVIHQ-MRXNPFEDSA-N 1 0 380.467 3.722 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 ZINC000369853641 923681528 /nfs/dbraw/zinc/68/15/28/923681528.db2.gz XOCRZKLQWCBYAA-OAHLLOKOSA-N 1 0 383.945 3.525 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3nc4ccccn4c3C)CC2)C1 ZINC001137267019 924134177 /nfs/dbraw/zinc/13/41/77/924134177.db2.gz IVYRHKNSCQJJDL-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC000370565034 924174330 /nfs/dbraw/zinc/17/43/30/924174330.db2.gz FQBAUSHSDVSHBG-SFTDATJTSA-N 1 0 395.890 3.693 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000371533391 924640743 /nfs/dbraw/zinc/64/07/43/924640743.db2.gz GQOIQVZLEKJUET-ROUUACIJSA-N 1 0 395.453 3.743 20 30 GHEDRO C[C@@]1(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000828689027 924807107 /nfs/dbraw/zinc/80/71/07/924807107.db2.gz ZCUMTPALYRYQFW-QGZVFWFLSA-N 1 0 380.319 3.635 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678636849 924856182 /nfs/dbraw/zinc/85/61/82/924856182.db2.gz FVZBVDJUMQMXTH-GBESFXJTSA-N 1 0 376.566 3.790 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c2ccccc21 ZINC000678640966 924863395 /nfs/dbraw/zinc/86/33/95/924863395.db2.gz PSVFNMHLNCKTHR-RTBURBONSA-N 1 0 379.504 3.876 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409813654 925024285 /nfs/dbraw/zinc/02/42/85/925024285.db2.gz QYGWJOOKIHUDBD-RXVVDRJESA-N 1 0 399.498 3.527 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCc1ccc(C#N)cc1 ZINC000011560081 925191388 /nfs/dbraw/zinc/19/13/88/925191388.db2.gz VIJSWQCFDBLSPW-UHFFFAOYSA-N 1 0 389.503 3.821 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(F)ccc(C)c3Cl)C2)C1=O ZINC001276077526 925245133 /nfs/dbraw/zinc/24/51/33/925245133.db2.gz COWAQXUKFFGMHJ-HXUWFJFHSA-N 1 0 378.875 3.705 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC[C@H]21 ZINC000827321855 925270066 /nfs/dbraw/zinc/27/00/66/925270066.db2.gz WKPATIPZCDCBLN-DENIHFKCSA-N 1 0 375.472 3.711 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccnc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001137422198 925614222 /nfs/dbraw/zinc/61/42/22/925614222.db2.gz LTIZHXNXNUUUNZ-KNQAVFIVSA-N 1 0 381.907 3.739 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(F)ccc(Br)c3F)CC2)C1=O ZINC001276095337 925658174 /nfs/dbraw/zinc/65/81/74/925658174.db2.gz QORYFRGIJSJOGG-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000373232970 925955899 /nfs/dbraw/zinc/95/58/99/925955899.db2.gz XDCFEQSGQROZCR-INIZCTEOSA-N 1 0 393.487 3.531 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)CC1 ZINC000373491639 926190154 /nfs/dbraw/zinc/19/01/54/926190154.db2.gz WSTFWVHLMSLRIV-UHFFFAOYSA-N 1 0 395.551 3.732 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)c1C#N ZINC000133341947 926206408 /nfs/dbraw/zinc/20/64/08/926206408.db2.gz HBUXNJWVQHXLOH-LLVKDONJSA-N 1 0 394.306 3.557 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](c3ncc(C(=O)OC)s3)C2)cc1 ZINC000827942869 926351578 /nfs/dbraw/zinc/35/15/78/926351578.db2.gz TUJBUIICDKKQFB-KRWDZBQOSA-N 1 0 384.501 3.711 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3ccccn3)sc2C1 ZINC000411426747 926376847 /nfs/dbraw/zinc/37/68/47/926376847.db2.gz YWSDFSWDTWFWAF-OAHLLOKOSA-N 1 0 382.533 3.643 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1Oc2ccccc2[C@@H]1C ZINC000411529695 926493693 /nfs/dbraw/zinc/49/36/93/926493693.db2.gz HFLZSISNUUPZNL-RXSFTSLZSA-N 1 0 395.528 3.980 20 30 GHEDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411547014 926498216 /nfs/dbraw/zinc/49/82/16/926498216.db2.gz UWDRMYWDOYFJOW-UHFFFAOYSA-N 1 0 395.894 3.952 20 30 GHEDRO COc1cccc([C@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)[NH+](C)C)c1 ZINC000726441824 926665517 /nfs/dbraw/zinc/66/55/17/926665517.db2.gz SCQZOPUOFCCGFA-SFHVURJKSA-N 1 0 388.924 3.810 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCC(C)(O)CC2)cc1OC ZINC000749295800 927040349 /nfs/dbraw/zinc/04/03/49/927040349.db2.gz IDLOZCURMPXMSE-UHFFFAOYSA-N 1 0 384.314 3.806 20 30 GHEDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000749461367 927116847 /nfs/dbraw/zinc/11/68/47/927116847.db2.gz WNPILLBEKJFKTN-FXCLAUTBSA-N 1 0 398.466 3.548 20 30 GHEDRO C[C@H](c1ccccc1)N(C)C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000749790448 927271238 /nfs/dbraw/zinc/27/12/38/927271238.db2.gz IIMVTCFUDVHTCC-GOSISDBHSA-N 1 0 394.519 3.533 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000749883059 927329754 /nfs/dbraw/zinc/32/97/54/927329754.db2.gz LCPNEXXWPPRUBU-NRFANRHFSA-N 1 0 394.906 3.576 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(CCCc3ccccc3)C2=O)c(O)c1 ZINC000749929272 927354283 /nfs/dbraw/zinc/35/42/83/927354283.db2.gz BBMMKDDLZJDBGK-BOJFNEGLSA-N 1 0 393.531 3.891 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3csc(Cl)c3)C2)C1=O ZINC001276205238 927361667 /nfs/dbraw/zinc/36/16/67/927361667.db2.gz HCEVUUXUPYAXEW-RXVVDRJESA-N 1 0 384.932 3.853 20 30 GHEDRO N#CCSc1ccccc1NC(=O)CN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000374753729 927484635 /nfs/dbraw/zinc/48/46/35/927484635.db2.gz MDGDSXDCNULHGX-QGZVFWFLSA-N 1 0 391.500 3.537 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412557825 927572748 /nfs/dbraw/zinc/57/27/48/927572748.db2.gz JTRFQTHKTSTHPD-UHFFFAOYSA-N 1 0 385.439 3.565 20 30 GHEDRO Cc1cccc2c(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c[nH]c21 ZINC000374876227 927640045 /nfs/dbraw/zinc/64/00/45/927640045.db2.gz BQUVIBNWVNTLTJ-UHFFFAOYSA-N 1 0 386.499 3.693 20 30 GHEDRO N#CC1(NC(=O)CCCOc2ccccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000374881638 927648968 /nfs/dbraw/zinc/64/89/68/927648968.db2.gz XCIHUUIWSBJGBE-UHFFFAOYSA-N 1 0 395.478 3.659 20 30 GHEDRO Cn1cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000374882292 927650049 /nfs/dbraw/zinc/65/00/49/927650049.db2.gz XTTWOACULJYRBY-XMMPIXPASA-N 1 0 386.499 3.904 20 30 GHEDRO CC(C)c1ncc(Cl)c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)n1 ZINC000374894305 927663419 /nfs/dbraw/zinc/66/34/19/927663419.db2.gz IFQXLCPJHJYAHP-UHFFFAOYSA-N 1 0 397.910 3.542 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000750597123 927740276 /nfs/dbraw/zinc/74/02/76/927740276.db2.gz DKGOVIIAWXLUEX-AVRDEDQJSA-N 1 0 377.488 3.731 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000751095685 928027050 /nfs/dbraw/zinc/02/70/50/928027050.db2.gz ZINZXFIHBRZWQO-SIKLNZKXSA-N 1 0 391.515 3.551 20 30 GHEDRO Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413258017 928371303 /nfs/dbraw/zinc/37/13/03/928371303.db2.gz BRSTYRYBYNANSZ-UHFFFAOYSA-N 1 0 382.386 3.992 20 30 GHEDRO Cc1ccc(C#N)c(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)n1 ZINC000413321102 928436053 /nfs/dbraw/zinc/43/60/53/928436053.db2.gz HADHLEZHXCOQIJ-UHFFFAOYSA-N 1 0 395.938 3.706 20 30 GHEDRO Cc1ccnc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1C#N ZINC000413326184 928440531 /nfs/dbraw/zinc/44/05/31/928440531.db2.gz NAQHHOYZPATWTG-UHFFFAOYSA-N 1 0 395.938 3.706 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000467088344 928683426 /nfs/dbraw/zinc/68/34/26/928683426.db2.gz BMHQKTSSPZMVAU-DHIUTWEWSA-N 1 0 390.531 3.772 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)cc1C#N ZINC000752300220 928741097 /nfs/dbraw/zinc/74/10/97/928741097.db2.gz BDOMGFRAJFBWMJ-KRWDZBQOSA-N 1 0 387.484 3.513 20 30 GHEDRO CC[C@@H](O)[C@H]1CCCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000467148704 928761332 /nfs/dbraw/zinc/76/13/32/928761332.db2.gz GUQJATZMMVCAKQ-NHCUHLMSSA-N 1 0 394.519 3.530 20 30 GHEDRO CC[C@H](O)[C@H]1CCCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000467148705 928761605 /nfs/dbraw/zinc/76/16/05/928761605.db2.gz GUQJATZMMVCAKQ-RTWAWAEBSA-N 1 0 394.519 3.530 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000467209343 928827040 /nfs/dbraw/zinc/82/70/40/928827040.db2.gz WFFRSEHDWXFUKE-BDTNDASRSA-N 1 0 396.579 3.886 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1C#N ZINC000544187870 928908696 /nfs/dbraw/zinc/90/86/96/928908696.db2.gz JAIKOFMDUSPVLB-KRWDZBQOSA-N 1 0 382.508 3.924 20 30 GHEDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467296958 928931344 /nfs/dbraw/zinc/93/13/44/928931344.db2.gz LBFJVTNQCIGECM-JKSUJKDBSA-N 1 0 389.565 3.964 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000753148587 929228407 /nfs/dbraw/zinc/22/84/07/929228407.db2.gz FZKFXGHPFQKEBG-DENIHFKCSA-N 1 0 391.515 3.548 20 30 GHEDRO CON=Cc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000753717792 929497542 /nfs/dbraw/zinc/49/75/42/929497542.db2.gz URPFEDFHBZCIBH-WIYYLYMNSA-N 1 0 379.504 3.697 20 30 GHEDRO FC(F)(F)c1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc(C(F)(F)F)c1 ZINC000753934722 929599515 /nfs/dbraw/zinc/59/95/15/929599515.db2.gz JTMPJPHPKBTMSX-CHWSQXEVSA-N 1 0 378.320 3.918 20 30 GHEDRO Brc1ccc2c(c1)C(=NNC1=[NH+][C@@H]3CCCC[C@@H]3N1)CCS2 ZINC000753937246 929601215 /nfs/dbraw/zinc/60/12/15/929601215.db2.gz ZFSFZBDGMRORBV-OKILXGFUSA-N 1 0 379.327 3.509 20 30 GHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469546092 929980754 /nfs/dbraw/zinc/98/07/54/929980754.db2.gz BBAGBYRJOJXXGN-LJQANCHMSA-N 1 0 396.535 3.518 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1ccccc1CC ZINC000759054712 930258903 /nfs/dbraw/zinc/25/89/03/930258903.db2.gz NHBLGJAFGITALD-UHFFFAOYSA-O 1 0 387.912 3.633 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1ccccc1CC ZINC000759058615 930260558 /nfs/dbraw/zinc/26/05/58/930260558.db2.gz NDWUQJXLWNCUIJ-UHFFFAOYSA-O 1 0 381.521 3.758 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000469931421 930265006 /nfs/dbraw/zinc/26/50/06/930265006.db2.gz YJPNTLAUKNMOSD-LJQANCHMSA-N 1 0 392.503 3.989 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000546708457 930372144 /nfs/dbraw/zinc/37/21/44/930372144.db2.gz CMTHQYOMWILOEY-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(C#N)cc2OC)cc1 ZINC000546712184 930374131 /nfs/dbraw/zinc/37/41/31/930374131.db2.gz XOLYOYJOQRRBKA-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)NCC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000470336520 930539512 /nfs/dbraw/zinc/53/95/12/930539512.db2.gz HRESECFKQHWCIP-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000470479342 930649520 /nfs/dbraw/zinc/64/95/20/930649520.db2.gz DLYJNFSCPYWDSW-UHFFFAOYSA-N 1 0 383.458 3.865 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCC(CC#N)CC2)c1=S ZINC000781572107 930891701 /nfs/dbraw/zinc/89/17/01/930891701.db2.gz LWYZNMHZRAUESV-KRWDZBQOSA-N 1 0 378.590 3.810 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547416017 930995672 /nfs/dbraw/zinc/99/56/72/930995672.db2.gz NTHMBRNTOGWVRA-LJQANCHMSA-N 1 0 378.476 3.553 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)O[C@H](C4CC4)C3)sc2C1 ZINC000470921499 931035441 /nfs/dbraw/zinc/03/54/41/931035441.db2.gz ZMLVYJYONXSNEE-LBTNJELSSA-N 1 0 387.549 3.572 20 30 GHEDRO C[NH+](C)C1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCC1 ZINC000782991263 931380016 /nfs/dbraw/zinc/38/00/16/931380016.db2.gz BDGLBJLLSHRPRQ-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000557586034 931559764 /nfs/dbraw/zinc/55/97/64/931559764.db2.gz XZWPFJRWZIGNBW-VYAKWRIJSA-N 1 0 386.496 3.873 20 30 GHEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925272167 931726551 /nfs/dbraw/zinc/72/65/51/931726551.db2.gz SEIVDUZRYBPZGH-SQNIBIBYSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H](C)C1 ZINC000558023716 931805965 /nfs/dbraw/zinc/80/59/65/931805965.db2.gz DUQSZQNKLLKBQA-FVJLSDCUSA-N 1 0 393.487 3.533 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000558213948 931886381 /nfs/dbraw/zinc/88/63/81/931886381.db2.gz KLWGQFRQLOTWNT-UHFFFAOYSA-N 1 0 399.292 3.879 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000784488750 931912658 /nfs/dbraw/zinc/91/26/58/931912658.db2.gz XTBMBDNZQKZAJE-GOSISDBHSA-N 1 0 387.405 3.683 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784488983 931912732 /nfs/dbraw/zinc/91/27/32/931912732.db2.gz YNKCHKSXGFLBBT-SIXWZSSISA-N 1 0 381.442 3.938 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796754981 932055166 /nfs/dbraw/zinc/05/51/66/932055166.db2.gz LUKDMPCXRSDXHN-IBGZPJMESA-N 1 0 398.551 3.764 20 30 GHEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926125192 932056852 /nfs/dbraw/zinc/05/68/52/932056852.db2.gz WQXFEARMLUILMC-LDYMZIIASA-N 1 0 387.299 3.896 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)cc(OC)c1OC ZINC000796809562 932075656 /nfs/dbraw/zinc/07/56/56/932075656.db2.gz BAXPBJNLZGUVMH-CQSZACIVSA-N 1 0 382.460 3.614 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2=O)cc1 ZINC000558574457 932080879 /nfs/dbraw/zinc/08/08/79/932080879.db2.gz IRXVTRVCXPSHAE-LJQANCHMSA-N 1 0 398.388 3.734 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000797008476 932142802 /nfs/dbraw/zinc/14/28/02/932142802.db2.gz VJYANUDXHIPHEY-PWIZWCRZSA-N 1 0 390.524 3.659 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)OCC3CC[NH+](Cc4ccco4)CC3)CC2)c1 ZINC000797178089 932215020 /nfs/dbraw/zinc/21/50/20/932215020.db2.gz MWMMIATWJSTYGT-UHFFFAOYSA-N 1 0 382.435 3.777 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccc(CO)cc1 ZINC000926631219 932253567 /nfs/dbraw/zinc/25/35/67/932253567.db2.gz MWPVUPGVDYZBGN-QGZVFWFLSA-N 1 0 387.524 3.588 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000558980790 932352361 /nfs/dbraw/zinc/35/23/61/932352361.db2.gz MKFOGHRCLVGPRE-GOSISDBHSA-N 1 0 383.540 3.698 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000558984091 932355644 /nfs/dbraw/zinc/35/56/44/932355644.db2.gz MGXMHHJHMRRNTB-GHTZIAJQSA-N 1 0 395.551 3.699 20 30 GHEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)ccc1S(=O)(=O)C(F)F ZINC000926966897 932365751 /nfs/dbraw/zinc/36/57/51/932365751.db2.gz NNONJVWMWPGVRO-ZDUSSCGKSA-N 1 0 394.443 3.722 20 30 GHEDRO CCC[N@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000559188362 932498165 /nfs/dbraw/zinc/49/81/65/932498165.db2.gz ZRNGZYYPHRQKBU-UHFFFAOYSA-N 1 0 378.476 3.735 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000798065231 932515804 /nfs/dbraw/zinc/51/58/04/932515804.db2.gz PKHOOHGURDTUOP-NHCUHLMSSA-N 1 0 398.551 3.964 20 30 GHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000559248654 932549316 /nfs/dbraw/zinc/54/93/16/932549316.db2.gz XIGITAAJXVMZSQ-VGOFRKELSA-N 1 0 395.478 3.508 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000559341469 932613542 /nfs/dbraw/zinc/61/35/42/932613542.db2.gz WTZHADCBNUMGDU-HNNXBMFYSA-N 1 0 380.423 3.621 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000559467091 932691377 /nfs/dbraw/zinc/69/13/77/932691377.db2.gz WYTIXDPWFOWMID-JOCHJYFZSA-N 1 0 399.579 3.780 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000799121762 932881372 /nfs/dbraw/zinc/88/13/72/932881372.db2.gz MEHOISVMLJJAOO-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000799141824 932886972 /nfs/dbraw/zinc/88/69/72/932886972.db2.gz CNGPHLFCAOBKMP-MSOLQXFVSA-N 1 0 379.545 3.712 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)ccc1C#N ZINC000799336221 932956220 /nfs/dbraw/zinc/95/62/20/932956220.db2.gz KALQXAXRYNVRMM-OAHLLOKOSA-N 1 0 383.467 3.518 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000799361141 932969531 /nfs/dbraw/zinc/96/95/31/932969531.db2.gz SPSBPTAHALCTPK-GOSISDBHSA-N 1 0 387.524 3.954 20 30 GHEDRO CCCCCCCS(=O)(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000799637245 933074131 /nfs/dbraw/zinc/07/41/31/933074131.db2.gz HKGIAGFNTPNTRE-UHFFFAOYSA-N 1 0 381.586 3.929 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC001117687663 933983694 /nfs/dbraw/zinc/98/36/94/933983694.db2.gz VFWNLJHCFYTIHR-ZCDLSOSASA-N 1 0 389.268 3.835 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccnc(Cl)c1F)CC2 ZINC001139661243 934009877 /nfs/dbraw/zinc/00/98/77/934009877.db2.gz MBDOKTZEMKCRKB-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=S)Nc3ccccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000777929541 934194871 /nfs/dbraw/zinc/19/48/71/934194871.db2.gz WYXMIRXFANQSFR-SFTDATJTSA-N 1 0 392.528 3.831 20 30 GHEDRO N#Cc1csc(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)n1 ZINC000931091224 934372773 /nfs/dbraw/zinc/37/27/73/934372773.db2.gz NPJRHJCZYWTOCW-UHFFFAOYSA-N 1 0 378.461 3.536 20 30 GHEDRO COC1CCN(c2ccc(CN3CCC[C@@](C#N)(c4ccccn4)C3)cc2)CC1 ZINC001119787678 934396664 /nfs/dbraw/zinc/39/66/64/934396664.db2.gz GTLLJDBRCVYEST-DEOSSOPVSA-N 1 0 390.531 3.754 20 30 GHEDRO C=C(C)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC001120920604 934535962 /nfs/dbraw/zinc/53/59/62/934535962.db2.gz HSZYFQIUMNIZFZ-YLJYHZDGSA-N 1 0 397.544 3.919 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121502713 934677277 /nfs/dbraw/zinc/67/72/77/934677277.db2.gz UQLLIOGOXDFXGR-AZUAARDMSA-N 1 0 378.524 3.582 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(C)(C)C[NH+](C)C ZINC000562105497 934700368 /nfs/dbraw/zinc/70/03/68/934700368.db2.gz QUZZPTHPQKPPQH-HNNXBMFYSA-N 1 0 381.480 3.843 20 30 GHEDRO CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001121722053 934747716 /nfs/dbraw/zinc/74/77/16/934747716.db2.gz QFKXAXGOJLSAKB-QHCPKHFHSA-N 1 0 392.551 3.592 20 30 GHEDRO CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000932285459 934867753 /nfs/dbraw/zinc/86/77/53/934867753.db2.gz OOIKRYPNFDZKTR-HZPDHXFCSA-N 1 0 396.453 3.743 20 30 GHEDRO C=C(C)Cn1c(-c2cnoc2C)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001122527709 934890201 /nfs/dbraw/zinc/89/02/01/934890201.db2.gz MMXDRVMEWNPKIY-IBGZPJMESA-N 1 0 392.507 3.528 20 30 GHEDRO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1CC1CC1 ZINC001123540884 935220939 /nfs/dbraw/zinc/22/09/39/935220939.db2.gz DMGDDIKZPGCKNN-CTNGQTDRSA-N 1 0 399.583 3.939 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCCC2)cc1 ZINC001124971986 935501015 /nfs/dbraw/zinc/50/10/15/935501015.db2.gz MAVCFMLDUDLZEK-UHFFFAOYSA-N 1 0 397.588 3.848 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3ccc(OC)cc3C#N)C1)C2 ZINC001137704342 935734635 /nfs/dbraw/zinc/73/46/35/935734635.db2.gz ATTGEFPUOIWQPE-HYBUGGRVSA-N 1 0 390.483 3.662 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc(-c3cncnc3)c1)CC2 ZINC001137767263 935779391 /nfs/dbraw/zinc/77/93/91/935779391.db2.gz MBIRNQQDYYROOM-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000829589070 935831696 /nfs/dbraw/zinc/83/16/96/935831696.db2.gz RGBFTKNXMNQOTP-UHFFFAOYSA-N 1 0 380.492 3.653 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)cc1 ZINC001137900754 935855198 /nfs/dbraw/zinc/85/51/98/935855198.db2.gz IMJGUTDRXPRLAD-UHFFFAOYSA-N 1 0 388.515 3.961 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)cc1 ZINC001137904258 935857987 /nfs/dbraw/zinc/85/79/87/935857987.db2.gz UWOJXXXZGCUWDP-OAQYLSRUSA-N 1 0 388.515 3.817 20 30 GHEDRO N#Cc1ccccc1OCCCNC(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC001220684877 1032062192 /nfs/dbraw/zinc/06/21/92/1032062192.db2.gz FOHGBYZRRBYKAG-KRWDZBQOSA-N 1 0 391.393 3.552 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)N[C@@H](C(C)(C)C)C(O)(c2ccccc2)c2ccccc2)C1 ZINC001220745842 1032097081 /nfs/dbraw/zinc/09/70/81/1032097081.db2.gz DEHRZLZVYSSCAU-URXFXBBRSA-N 1 0 392.543 3.762 20 30 GHEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=S)Nc1ccc(C#N)cc1Br)C2 ZINC001201134552 1014987400 /nfs/dbraw/zinc/98/74/00/1014987400.db2.gz WSDONZWKAIHRHW-BTTYYORXSA-N 1 0 393.354 3.622 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000411973863 1015067557 /nfs/dbraw/zinc/06/75/57/1015067557.db2.gz SKBUNNLZWITNPH-AVYPCKFXSA-N 1 0 375.538 3.670 20 30 GHEDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000468370528 1015637156 /nfs/dbraw/zinc/63/71/56/1015637156.db2.gz AKNJBRXNHBFXJY-QFBILLFUSA-N 1 0 397.494 3.904 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C#N)cc1OC)[NH+]1CCCC1 ZINC000545294315 1015748488 /nfs/dbraw/zinc/74/84/88/1015748488.db2.gz FAPJWTMOPIDYKJ-LJQANCHMSA-N 1 0 394.475 3.534 20 30 GHEDRO C=C1CC=C(F)C=C1NC(=O)[C@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001220797188 1032126014 /nfs/dbraw/zinc/12/60/14/1032126014.db2.gz LOLRALLDGFITDO-NRFANRHFSA-N 1 0 381.451 3.583 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(O)c3)CC2)C1=O ZINC001277155487 1032132593 /nfs/dbraw/zinc/13/25/93/1032132593.db2.gz ZZVQVNWZGVPGND-HXUWFJFHSA-N 1 0 375.900 3.554 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](Oc3ccc4cc(C#N)ccc4c3)C[C@H]2C1 ZINC001226813683 1032141148 /nfs/dbraw/zinc/14/11/48/1032141148.db2.gz SRWQRSYRQNLIRX-PZJWPPBQSA-N 1 0 393.487 3.784 20 30 GHEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000469035232 1016358523 /nfs/dbraw/zinc/35/85/23/1016358523.db2.gz RBYNQUCSTVNNNL-XMSQKQJNSA-N 1 0 378.520 3.631 20 30 GHEDRO Cc1ncsc1C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924970792 1017029666 /nfs/dbraw/zinc/02/96/66/1017029666.db2.gz QJFIQAFEHGKYFU-AWEZNQCLSA-N 1 0 378.542 3.861 20 30 GHEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000925137473 1017041735 /nfs/dbraw/zinc/04/17/35/1017041735.db2.gz SMBCYBIWQLIAPR-OAHLLOKOSA-N 1 0 387.505 3.695 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N[C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CC1 ZINC001221035271 1032246124 /nfs/dbraw/zinc/24/61/24/1032246124.db2.gz YOQUFMVXRGRVNC-OAQYLSRUSA-N 1 0 377.463 3.586 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2nc3ccccc3n2CC)C1 ZINC001221063377 1032262518 /nfs/dbraw/zinc/26/25/18/1032262518.db2.gz UMOYUQJZTLDORD-OALUTQOASA-N 1 0 397.567 3.605 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)nc1Cl ZINC001221132336 1032300109 /nfs/dbraw/zinc/30/01/09/1032300109.db2.gz RAXWMDUJKUQILG-UHFFFAOYSA-N 1 0 381.307 3.550 20 30 GHEDRO Cc1nc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c(C#N)cc1-c1ccncc1 ZINC001227269385 1032349286 /nfs/dbraw/zinc/34/92/86/1032349286.db2.gz CXDUOPOEMZUQRL-FXAWDEMLSA-N 1 0 385.471 3.933 20 30 GHEDRO COc1cccc2c1CC[C@@H](CCCNC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1)C2 ZINC001221301072 1032368594 /nfs/dbraw/zinc/36/85/94/1032368594.db2.gz STQUIJMQXDWSOI-VGOFRKELSA-N 1 0 391.515 3.658 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N[C@H]3CCC[C@@H]([NH3+])C3)c(Cl)nn2)cc1 ZINC001154988414 1032369817 /nfs/dbraw/zinc/36/98/17/1032369817.db2.gz CWBFHIYMHCDERZ-KGLIPLIRSA-N 1 0 377.826 3.577 20 30 GHEDRO C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC001221629033 1032489610 /nfs/dbraw/zinc/48/96/10/1032489610.db2.gz PSBCIEGCFBPYCI-HXOBKFHXSA-N 1 0 388.515 3.682 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1 ZINC001221675613 1032505102 /nfs/dbraw/zinc/50/51/02/1032505102.db2.gz DIMVZAIHCCUCKC-ROUUACIJSA-N 1 0 388.531 3.636 20 30 GHEDRO CCOC(=O)c1cc2cc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc2[nH]1 ZINC001227861706 1032651267 /nfs/dbraw/zinc/65/12/67/1032651267.db2.gz SYVKRZLPIOFHKL-FQEVSTJZSA-N 1 0 389.455 3.870 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC001227879734 1032663984 /nfs/dbraw/zinc/66/39/84/1032663984.db2.gz UZQMUMWDSZUDKT-XAUMDUMWSA-N 1 0 381.407 3.895 20 30 GHEDRO C=C(C)COc1cc(C[N@H+](C)CCn2cc(Br)cn2)ccc1OC ZINC000558427289 1017197219 /nfs/dbraw/zinc/19/72/19/1017197219.db2.gz RVUBYTLUTMNKSH-UHFFFAOYSA-N 1 0 394.313 3.741 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000558932131 1017317297 /nfs/dbraw/zinc/31/72/97/1017317297.db2.gz SMMBGMDHUDDHKY-KRWDZBQOSA-N 1 0 390.409 3.785 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000929903703 1017753500 /nfs/dbraw/zinc/75/35/00/1017753500.db2.gz GSPUUNMPYPWITH-UHFFFAOYSA-N 1 0 381.545 3.808 20 30 GHEDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC4CCC(C#N)CC4)CC3)cc2NC1=O ZINC000929965774 1017764965 /nfs/dbraw/zinc/76/49/65/1017764965.db2.gz YDPGRDRAXAHZJM-KLAILNCOSA-N 1 0 395.503 3.631 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000930198526 1017799615 /nfs/dbraw/zinc/79/96/15/1017799615.db2.gz MCWSUUAQVLLFDU-QGZVFWFLSA-N 1 0 377.488 3.683 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CN2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000930923157 1017902262 /nfs/dbraw/zinc/90/22/62/1017902262.db2.gz JVBBDEDGIQFHLL-SVMVAKDDSA-N 1 0 384.524 3.632 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)cc1 ZINC001204300679 1032740502 /nfs/dbraw/zinc/74/05/02/1032740502.db2.gz QXYFZUUTXYQBPH-UHFFFAOYSA-N 1 0 398.528 3.711 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]2CCCO[C@H]21 ZINC000562546512 1018301567 /nfs/dbraw/zinc/30/15/67/1018301567.db2.gz ZGXAYUZKQBXIIT-GDIGMMSISA-N 1 0 387.549 3.620 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)C(CC)(CC)Cc2nc3ccccc3s2)CC1 ZINC001155873128 1032754857 /nfs/dbraw/zinc/75/48/57/1032754857.db2.gz KDFNAEHMOAJQKA-UHFFFAOYSA-N 1 0 383.561 3.859 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000562564478 1018322835 /nfs/dbraw/zinc/32/28/35/1018322835.db2.gz ZUXUVFVSBUBIBW-QAPCUYQASA-N 1 0 388.899 3.590 20 30 GHEDRO C=CC1(CC(=O)N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)CCCCC1 ZINC000932707060 1018597150 /nfs/dbraw/zinc/59/71/50/1018597150.db2.gz HMSJBVADCUUZTA-UHFFFAOYSA-N 1 0 391.600 3.600 20 30 GHEDRO C=CC1(CC(=O)Nc2ccc(C)cc2C[NH+](C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000932806954 1018682467 /nfs/dbraw/zinc/68/24/67/1018682467.db2.gz WMGTWOMHJDVXBQ-UHFFFAOYSA-N 1 0 387.524 3.808 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H](c1ccccc1)N1CCOCC1 ZINC000562875151 1018739217 /nfs/dbraw/zinc/73/92/17/1018739217.db2.gz XQBOMNPVUBCZNB-GLYQVZKVSA-N 1 0 375.516 3.987 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000562887195 1018757671 /nfs/dbraw/zinc/75/76/71/1018757671.db2.gz XALLEYVOOLPSBB-WMZHIEFXSA-N 1 0 388.515 3.919 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](CCC[C@@H]3CCOC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932942709 1018772162 /nfs/dbraw/zinc/77/21/62/1018772162.db2.gz IHJDEWCCGORCJM-GMTAPVOTSA-N 1 0 381.307 3.906 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949674 1018780720 /nfs/dbraw/zinc/78/07/20/1018780720.db2.gz PUSLRBVRECNSCO-MXWKQRLJSA-N 1 0 380.323 3.574 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001204370581 1032810711 /nfs/dbraw/zinc/81/07/11/1032810711.db2.gz DJLKXVAUHQYKQD-XMMPIXPASA-N 1 0 382.467 3.689 20 30 GHEDRO CC#CCCCC(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000567992025 1019363809 /nfs/dbraw/zinc/36/38/09/1019363809.db2.gz GJKZEQGMLMLEAK-UHFFFAOYSA-N 1 0 380.330 3.713 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cn(C(C)=O)c4ccccc34)C2)C1 ZINC001204405876 1032831064 /nfs/dbraw/zinc/83/10/64/1032831064.db2.gz BNBSOLRAGUNQQY-QHCPKHFHSA-N 1 0 395.503 3.912 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1ccccc1N(C)C ZINC000570430584 1019605365 /nfs/dbraw/zinc/60/53/65/1019605365.db2.gz OBOOUKKDEOYEMT-CQSZACIVSA-N 1 0 382.533 3.633 20 30 GHEDRO Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000572201781 1019753488 /nfs/dbraw/zinc/75/34/88/1019753488.db2.gz SSDWGUYLOGYKCJ-QFIPXVFZSA-N 1 0 395.478 3.650 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c(-c2ccccc2)n1 ZINC000572498186 1019781466 /nfs/dbraw/zinc/78/14/66/1019781466.db2.gz LKXYWVUPXMQXHT-HXUWFJFHSA-N 1 0 376.435 3.696 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000577173015 1020141344 /nfs/dbraw/zinc/14/13/44/1020141344.db2.gz QXUFWZKFEPRBNQ-AWEZNQCLSA-N 1 0 396.434 3.572 20 30 GHEDRO N#CC[C@H](CC(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000600678725 1020208805 /nfs/dbraw/zinc/20/88/05/1020208805.db2.gz TXSCRMBPUVLFEY-HXUWFJFHSA-N 1 0 386.499 3.900 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CCOCC1 ZINC000600741941 1020231033 /nfs/dbraw/zinc/23/10/33/1020231033.db2.gz SCFXJLCICTVCSG-INIZCTEOSA-N 1 0 391.924 3.624 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)sc2c1CCCC2 ZINC000579105556 1020387644 /nfs/dbraw/zinc/38/76/44/1020387644.db2.gz DKDURRFVQWCSNB-QAPCUYQASA-N 1 0 387.549 3.718 20 30 GHEDRO CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001204454563 1032898043 /nfs/dbraw/zinc/89/80/43/1032898043.db2.gz BXNSAAJXCCDDBP-DEOSSOPVSA-N 1 0 389.499 3.974 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000779156930 1020428682 /nfs/dbraw/zinc/42/86/82/1020428682.db2.gz WVVHRAPJBYSYBC-UHFFFAOYSA-N 1 0 398.890 3.908 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189632519 1020478324 /nfs/dbraw/zinc/47/83/24/1020478324.db2.gz ZIQGEXXEBVCQJG-VQIMIIECSA-N 1 0 376.422 3.532 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C3CCCCC3)c2)CC1 ZINC000627314871 1020544716 /nfs/dbraw/zinc/54/47/16/1020544716.db2.gz PCTRALXZWRJXNT-UHFFFAOYSA-N 1 0 383.536 3.830 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1OC ZINC000628253609 1020683070 /nfs/dbraw/zinc/68/30/70/1020683070.db2.gz PVCMIBMMTLFMFO-INIZCTEOSA-N 1 0 394.943 3.599 20 30 GHEDRO CCCc1cc(C#N)c(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)nc1Cl ZINC001156215099 1032926180 /nfs/dbraw/zinc/92/61/80/1032926180.db2.gz CYCGRROLJYPMGB-UHFFFAOYSA-N 1 0 379.895 3.913 20 30 GHEDRO CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228425904 1032931104 /nfs/dbraw/zinc/93/11/04/1032931104.db2.gz HRIBONSJJUZKBS-MRXNPFEDSA-N 1 0 375.533 3.516 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000779510465 1020837643 /nfs/dbraw/zinc/83/76/43/1020837643.db2.gz MHELNGCTUGZJLE-REWPJTCUSA-N 1 0 398.551 3.516 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000192350525 1020865856 /nfs/dbraw/zinc/86/58/56/1020865856.db2.gz CTRJFLOOYVXKOO-MGPUTAFESA-N 1 0 381.451 3.834 20 30 GHEDRO CCOc1cc(C#N)c(Br)cc1OC1CC[NH+](CCCOC)CC1 ZINC001228459009 1032944997 /nfs/dbraw/zinc/94/49/97/1032944997.db2.gz SWEPPKUBWISXDS-UHFFFAOYSA-N 1 0 397.313 3.599 20 30 GHEDRO C=CCn1c(Cc2ccccc2O)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634340347 1020947676 /nfs/dbraw/zinc/94/76/76/1020947676.db2.gz LNWKCBXDAFGPGC-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO Cc1cc(C)cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001204520048 1032945376 /nfs/dbraw/zinc/94/53/76/1032945376.db2.gz RLUOSYXATODEFC-XMMPIXPASA-N 1 0 390.531 3.689 20 30 GHEDRO COc1cc(OC)c(CCNC(=[NH2+])Nc2cccc3c2CCCC3)c(OC)c1 ZINC000304747533 1021153697 /nfs/dbraw/zinc/15/36/97/1021153697.db2.gz GMIMSLIBDBTJTD-UHFFFAOYSA-N 1 0 383.492 3.561 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nnc1[C@@]1(C)CCCO1 ZINC000651544463 1021207711 /nfs/dbraw/zinc/20/77/11/1021207711.db2.gz YZRMDWUVMYFORU-NFBKMPQASA-N 1 0 395.551 3.591 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000834505056 1021230624 /nfs/dbraw/zinc/23/06/24/1021230624.db2.gz HHVYMVMNITWKCI-KDOFPFPSSA-N 1 0 383.517 3.840 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)CC1 ZINC001204554615 1032967737 /nfs/dbraw/zinc/96/77/37/1032967737.db2.gz CZJNGUZVFIROOG-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000800989216 1021353034 /nfs/dbraw/zinc/35/30/34/1021353034.db2.gz ASPAPQFPJUVBHG-YOEHRIQHSA-N 1 0 393.915 3.716 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1-c1cccnc1)CC2 ZINC001140314099 1021379541 /nfs/dbraw/zinc/37/95/41/1021379541.db2.gz NPNBGDFWWILZKK-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC000802654170 1021514866 /nfs/dbraw/zinc/51/48/66/1021514866.db2.gz GGBKZTJXSDCRCB-QFIPXVFZSA-N 1 0 386.540 3.773 20 30 GHEDRO S=C(NN=C1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]12)Nc1cccnc1 ZINC000834921934 1021690250 /nfs/dbraw/zinc/69/02/50/1021690250.db2.gz KRRISEXHIVAUSY-ICSRJNTNSA-N 1 0 379.533 3.799 20 30 GHEDRO CN(Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)C1CC[NH+](C)CC1 ZINC001140437539 1021705376 /nfs/dbraw/zinc/70/53/76/1021705376.db2.gz HXEHURRBSOPWTQ-UHFFFAOYSA-N 1 0 382.508 3.822 20 30 GHEDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140437354 1021706083 /nfs/dbraw/zinc/70/60/83/1021706083.db2.gz GXNMOHCINMNZDC-MRXNPFEDSA-N 1 0 397.475 3.681 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[NH+]2CCC3(COC3)CC2)c2cc(C#N)ccc21 ZINC001140438364 1021707752 /nfs/dbraw/zinc/70/77/52/1021707752.db2.gz VEQVSLMZANLPQC-UHFFFAOYSA-N 1 0 381.476 3.909 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCC[C@@H](CCO)C2)c2cc(C#N)ccc21 ZINC001140439830 1021711572 /nfs/dbraw/zinc/71/15/72/1021711572.db2.gz QRNARAAVUUBCTO-INIZCTEOSA-N 1 0 383.492 3.891 20 30 GHEDRO S=C(NN=C1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]12)Nc1ccccn1 ZINC000834964472 1021736655 /nfs/dbraw/zinc/73/66/55/1021736655.db2.gz CJUROIPJPNUMFK-MJGOQNOKSA-N 1 0 379.533 3.799 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc4c(c3)ncn4C)C2)CC1 ZINC001140509519 1021895419 /nfs/dbraw/zinc/89/54/19/1021895419.db2.gz MKJSYWRTEDXTBW-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#C[C@@H](c1ccc(NCC2C[NH+](Cc3ccccc3)C2)nn1)c1ccccc1F ZINC001156398470 1033017047 /nfs/dbraw/zinc/01/70/47/1033017047.db2.gz DEVYHOADFJGWFQ-HXUWFJFHSA-N 1 0 387.462 3.815 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(NCC3C[NH+](Cc4ccccc4)C3)nn2)cc1 ZINC001156400352 1033018762 /nfs/dbraw/zinc/01/87/62/1033018762.db2.gz LJFHUHKVTCRJRW-JOCHJYFZSA-N 1 0 383.499 3.984 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cc(C#N)ccc4Cl)CC[N@@H+]3C2)cc1 ZINC001140601232 1022047518 /nfs/dbraw/zinc/04/75/18/1022047518.db2.gz JQVVIFAGRQFXOB-CTNGQTDRSA-N 1 0 381.907 3.858 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C2)cc1 ZINC001140667425 1022217855 /nfs/dbraw/zinc/21/78/55/1022217855.db2.gz SFHUOFOJNOUGEM-QFIPXVFZSA-N 1 0 395.478 3.577 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)ccc1OC ZINC000681754967 1022324076 /nfs/dbraw/zinc/32/40/76/1022324076.db2.gz DZDJXRXDYGLGQJ-HSZRJFAPSA-N 1 0 378.472 3.746 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)c1Cl ZINC001140813295 1022610327 /nfs/dbraw/zinc/61/03/27/1022610327.db2.gz CLGDURSETKGAJX-IBGZPJMESA-N 1 0 379.891 3.850 20 30 GHEDRO N#Cc1cccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1Cl ZINC001140813504 1022611814 /nfs/dbraw/zinc/61/18/14/1022611814.db2.gz KNKXUJNWOGVBEF-QUCCMNQESA-N 1 0 385.870 3.688 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(N(CC)CC)cc1O)CCO2 ZINC001140855174 1022709740 /nfs/dbraw/zinc/70/97/40/1022709740.db2.gz QEWVTZOMKPCBBF-NFBKMPQASA-N 1 0 388.552 3.812 20 30 GHEDRO CCN(CC)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(O)c1 ZINC001140856657 1022713020 /nfs/dbraw/zinc/71/30/20/1022713020.db2.gz GALBJCDUWQFNEF-UHFFFAOYSA-N 1 0 382.483 3.571 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000754742687 1022874732 /nfs/dbraw/zinc/87/47/32/1022874732.db2.gz XFKXHDRLXSAYBK-HNAYVOBHSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001140979009 1023070769 /nfs/dbraw/zinc/07/07/69/1023070769.db2.gz VZMQFSHPPGBIEL-GGAORHGYSA-N 1 0 379.504 3.717 20 30 GHEDRO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]N(c1ccccc1)c1ccccc1 ZINC000755465666 1023260768 /nfs/dbraw/zinc/26/07/68/1023260768.db2.gz NNXSZFFLFSPHJG-UHFFFAOYSA-N 1 0 375.476 3.737 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccccc1O2 ZINC000755542036 1023288967 /nfs/dbraw/zinc/28/89/67/1023288967.db2.gz CZNCRSROXKEWOX-UHFFFAOYSA-N 1 0 394.372 3.701 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)CCC2 ZINC001141075303 1023434941 /nfs/dbraw/zinc/43/49/41/1023434941.db2.gz MFKJEKNYBNQYQL-UHFFFAOYSA-N 1 0 392.547 3.690 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141106671 1023514697 /nfs/dbraw/zinc/51/46/97/1023514697.db2.gz DPAQGEOWCAWKPS-UHFFFAOYSA-N 1 0 396.944 3.688 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCCN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107220 1023515502 /nfs/dbraw/zinc/51/55/02/1023515502.db2.gz UKGSMBCBWCDGGB-LLVKDONJSA-N 1 0 384.933 3.735 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccnc3ccc(OC)cc13)CCO2 ZINC001141149689 1023971455 /nfs/dbraw/zinc/97/14/55/1023971455.db2.gz OXTQDYCNTHUKPS-AUSIDOKSSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001141187669 1024051163 /nfs/dbraw/zinc/05/11/63/1024051163.db2.gz AOWBMNAEJGHNNL-FYYLOGMGSA-N 1 0 379.504 3.717 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3c(F)cc(C)cc3Br)C2)C1=O ZINC001277344753 1033200451 /nfs/dbraw/zinc/20/04/51/1033200451.db2.gz BKWNZKGCUGWBPY-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001205006926 1033204428 /nfs/dbraw/zinc/20/44/28/1033204428.db2.gz AUQCLIOVZNYTHS-UHFFFAOYSA-N 1 0 377.414 3.677 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC001138215725 1024381434 /nfs/dbraw/zinc/38/14/34/1024381434.db2.gz RMPXJWHDGGHEGR-UHFFFAOYSA-N 1 0 383.536 3.897 20 30 GHEDRO COCC[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C1CCN(C)CC1 ZINC001141293985 1024426336 /nfs/dbraw/zinc/42/63/36/1024426336.db2.gz QXZGHSNHNYTOJY-UHFFFAOYSA-N 1 0 379.504 3.893 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH+](C[C@H]4CCCO4)CC3)cc2)cc1 ZINC001141293499 1024426705 /nfs/dbraw/zinc/42/67/05/1024426705.db2.gz CQQYMFSQMAGJQI-HSZRJFAPSA-N 1 0 377.488 3.647 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)CC1 ZINC000837432147 1024452931 /nfs/dbraw/zinc/45/29/31/1024452931.db2.gz QGFFKANVLFKFNZ-PFONDFGASA-N 1 0 380.410 3.592 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncc(C#N)cc2C#N)[C@H](C)CCC[NH3+])c1 ZINC001156750057 1033221187 /nfs/dbraw/zinc/22/11/87/1033221187.db2.gz JZNQAFXMLVCPKH-OAHLLOKOSA-N 1 0 386.459 3.647 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(F)cc(C)cc3Br)C2)C1=O ZINC001277348124 1033222101 /nfs/dbraw/zinc/22/21/01/1033222101.db2.gz YTDAQQCRMIFSDS-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(N(CC)CC)cc3OC)C2)C1=O ZINC001138388142 1024762727 /nfs/dbraw/zinc/76/27/27/1024762727.db2.gz TURAFZDICQZFJT-HSZRJFAPSA-N 1 0 385.552 3.542 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@@H]2CC ZINC001138437513 1024847698 /nfs/dbraw/zinc/84/76/98/1024847698.db2.gz NVFOUGHGQNQRPR-GGAORHGYSA-N 1 0 386.536 3.934 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138448106 1024870136 /nfs/dbraw/zinc/87/01/36/1024870136.db2.gz KPBOGXQGTMZEHF-FYYLOGMGSA-N 1 0 381.520 3.959 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1 ZINC001138559485 1025020898 /nfs/dbraw/zinc/02/08/98/1025020898.db2.gz MLIVADFRBUMNGZ-VWNXMTODSA-N 1 0 392.499 3.544 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC001138559852 1025021099 /nfs/dbraw/zinc/02/10/99/1025021099.db2.gz SZMABUQLMCHWAK-VWNXMTODSA-N 1 0 376.500 3.913 20 30 GHEDRO C=CCC1(C(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000838280968 1025040834 /nfs/dbraw/zinc/04/08/34/1025040834.db2.gz VLJYSGOQNCVPHI-LJQANCHMSA-N 1 0 398.547 3.835 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1O ZINC001138627308 1025126863 /nfs/dbraw/zinc/12/68/63/1025126863.db2.gz BVXWCZYZTTWBEX-UNMCSNQZSA-N 1 0 382.479 3.597 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001138631709 1025136110 /nfs/dbraw/zinc/13/61/10/1025136110.db2.gz ZJOHKUJQZMSTSX-HNNXBMFYSA-N 1 0 379.382 3.583 20 30 GHEDRO C[C@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+](C2CC2)C1 ZINC000838486630 1025167330 /nfs/dbraw/zinc/16/73/30/1025167330.db2.gz LCFKOFGICLFHAY-MRXNPFEDSA-N 1 0 394.544 3.912 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2[C@H](CC[C@@]23N=C(C)N(CC)C3=O)C1 ZINC001138660868 1025179278 /nfs/dbraw/zinc/17/92/78/1025179278.db2.gz FTXVARZEAJKDQJ-QMHWCDLVSA-N 1 0 381.520 3.503 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001138661257 1025181086 /nfs/dbraw/zinc/18/10/86/1025181086.db2.gz QTZZLEYFURLKEE-URXFXBBRSA-N 1 0 376.500 3.747 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(N(CC)CC)s1)[C@@H]2CC ZINC001138801033 1025385817 /nfs/dbraw/zinc/38/58/17/1025385817.db2.gz LPIGDOIABIWJMK-NQIIRXRSSA-N 1 0 390.597 3.911 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc3ccccc3n1)CC2 ZINC001138863302 1025487571 /nfs/dbraw/zinc/48/75/71/1025487571.db2.gz FQDYXVZHJVOSBR-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC001138908551 1025561805 /nfs/dbraw/zinc/56/18/05/1025561805.db2.gz SUUMSEXYGZJBLS-HXUWFJFHSA-N 1 0 380.435 3.899 20 30 GHEDRO N#Cc1cnc(Cl)nc1NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001162050101 1025564084 /nfs/dbraw/zinc/56/40/84/1025564084.db2.gz VNOIFWOPSQHFKT-UHFFFAOYSA-N 1 0 395.816 3.797 20 30 GHEDRO CCC(=O)Oc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cc1 ZINC001138965594 1025672215 /nfs/dbraw/zinc/67/22/15/1025672215.db2.gz WQFJAKOSBBHWSR-UHFFFAOYSA-N 1 0 394.471 3.926 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001141580545 1025686923 /nfs/dbraw/zinc/68/69/23/1025686923.db2.gz DKNWLODAGWBXFV-UHFFFAOYSA-N 1 0 386.580 3.991 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001139028006 1025794745 /nfs/dbraw/zinc/79/47/45/1025794745.db2.gz IOVDBRPWLQCUDC-CQOQZXRMSA-N 1 0 394.515 3.985 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1csc(C)n1 ZINC001139028467 1025796729 /nfs/dbraw/zinc/79/67/29/1025796729.db2.gz UVQFYODALRNLMW-WOJBJXKFSA-N 1 0 397.544 3.782 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001139032031 1025803559 /nfs/dbraw/zinc/80/35/59/1025803559.db2.gz HLWBWLWLVKBVGF-GHTZIAJQSA-N 1 0 380.463 3.737 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139079432 1025891010 /nfs/dbraw/zinc/89/10/10/1025891010.db2.gz DYUYOAGKTFCJLE-RBBKRZOGSA-N 1 0 381.476 3.595 20 30 GHEDRO CCOC(=O)COc1ccccc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001139134503 1025947976 /nfs/dbraw/zinc/94/79/76/1025947976.db2.gz FPWACDRTUJEVSD-UHFFFAOYSA-N 1 0 392.499 3.955 20 30 GHEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2nc(/C=N/O)ccc2NC(=O)C(C)(C)C)c1 ZINC001162901966 1025959457 /nfs/dbraw/zinc/95/94/57/1025959457.db2.gz DINUHYCRMUDBOE-GHONEHJGSA-N 1 0 379.464 3.838 20 30 GHEDRO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163283591 1026123984 /nfs/dbraw/zinc/12/39/84/1026123984.db2.gz HXAWTTMMGYIISR-AYVTZFPOSA-N 1 0 386.311 3.832 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001163288323 1026126551 /nfs/dbraw/zinc/12/65/51/1026126551.db2.gz CNWCURQRDSNUJZ-GBKSABOGSA-N 1 0 391.581 3.528 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163317662 1026142034 /nfs/dbraw/zinc/14/20/34/1026142034.db2.gz WDDQZSSLBWPWLK-BBATYDOGSA-N 1 0 395.265 3.875 20 30 GHEDRO OC1CCN(c2ccc(C[NH+]3CCC(C#Cc4ccccc4)CC3)s2)CC1 ZINC001139292934 1026144808 /nfs/dbraw/zinc/14/48/08/1026144808.db2.gz CUJSLQAHQLORKP-UHFFFAOYSA-N 1 0 380.557 3.973 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1ncc(C)cc1/C=N/O)c1ccc(Cl)cc1 ZINC001163385031 1026171156 /nfs/dbraw/zinc/17/11/56/1026171156.db2.gz SJBPLAIOLUVINR-BYWZACNXSA-N 1 0 376.888 3.583 20 30 GHEDRO CN(CCC[NH+](C)C)C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001163600223 1026246550 /nfs/dbraw/zinc/24/65/50/1026246550.db2.gz ANNSWFJYIAIOGQ-UHFFFAOYSA-N 1 0 379.842 3.601 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(c3ccccc3C#N)CC2)nc1 ZINC001163617639 1026253445 /nfs/dbraw/zinc/25/34/45/1026253445.db2.gz OXSFFVMBGBZMOF-QFIPXVFZSA-N 1 0 375.520 3.827 20 30 GHEDRO CN(CC[N@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1)C(=O)OC(C)(C)C ZINC001139400058 1026270300 /nfs/dbraw/zinc/27/03/00/1026270300.db2.gz DSOGADKOQZJBLS-UHFFFAOYSA-N 1 0 380.492 3.919 20 30 GHEDRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001139399859 1026270914 /nfs/dbraw/zinc/27/09/14/1026270914.db2.gz YOABVKRDQFNAOW-QGZVFWFLSA-N 1 0 389.455 3.870 20 30 GHEDRO C[N@@H+]1CCN(c2nccc(Oc3cccc(C#N)c3)n2)[C@@H](Cc2ccccc2)C1 ZINC001163662897 1026271386 /nfs/dbraw/zinc/27/13/86/1026271386.db2.gz SRJMPFXULGDCHV-FQEVSTJZSA-N 1 0 385.471 3.504 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@](O)(C(F)(F)F)C3)cc2)c1 ZINC001139402006 1026272905 /nfs/dbraw/zinc/27/29/05/1026272905.db2.gz KQIOTHYGJASPNZ-LJQANCHMSA-N 1 0 375.394 3.900 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCCN(c4cccnc4)CC3)cn2)cc1 ZINC001139428213 1026299470 /nfs/dbraw/zinc/29/94/70/1026299470.db2.gz FHCHADUFCBZUID-UHFFFAOYSA-N 1 0 385.471 3.853 20 30 GHEDRO CCN1CC2(CC1=O)CC[NH+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)CC2 ZINC001139428498 1026299727 /nfs/dbraw/zinc/29/97/27/1026299727.db2.gz DWUAYNYUGMJGTO-UHFFFAOYSA-N 1 0 390.487 3.580 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001139527808 1026383808 /nfs/dbraw/zinc/38/38/08/1026383808.db2.gz POYAWAJPSPDYHK-IEIRFRATSA-N 1 0 378.495 3.825 20 30 GHEDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001164077880 1026404526 /nfs/dbraw/zinc/40/45/26/1026404526.db2.gz KYQRQMTWPZDMBV-DOMZBBRYSA-N 1 0 391.853 3.777 20 30 GHEDRO N#Cc1c[nH]c2nc(Cl)nc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164485254 1026525809 /nfs/dbraw/zinc/52/58/09/1026525809.db2.gz HVESGNANSLEFED-USXIJHARSA-N 1 0 392.894 3.805 20 30 GHEDRO COC(OC)c1c(C#N)ccnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001164486389 1026526016 /nfs/dbraw/zinc/52/60/16/1026526016.db2.gz NMJPAMPSGKZHOE-VAMGGRTRSA-N 1 0 392.503 3.567 20 30 GHEDRO CCc1nnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C#N)c1CC ZINC001164493918 1026532132 /nfs/dbraw/zinc/53/21/32/1026532132.db2.gz ZVTVMEOSGJQNEG-RBDMOPTHSA-N 1 0 375.520 3.796 20 30 GHEDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)cc1 ZINC001139707121 1026552153 /nfs/dbraw/zinc/55/21/53/1026552153.db2.gz QUQWDMXFEZBADT-UHFFFAOYSA-N 1 0 388.471 3.538 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cccc(C(=O)OC)c13)C2 ZINC001139718671 1026561775 /nfs/dbraw/zinc/56/17/75/1026561775.db2.gz ICPMRDDCRMQWGI-REWPJTCUSA-N 1 0 398.503 3.528 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1C#N ZINC001139724822 1026567203 /nfs/dbraw/zinc/56/72/03/1026567203.db2.gz RCTLXYVHUPGVCR-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001164625014 1026569114 /nfs/dbraw/zinc/56/91/14/1026569114.db2.gz GFAMHIOBXSSXBE-MRXNPFEDSA-N 1 0 380.854 3.920 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)cn1 ZINC001139769677 1026604154 /nfs/dbraw/zinc/60/41/54/1026604154.db2.gz NDIGANYQFOBGIH-UHFFFAOYSA-N 1 0 382.552 3.630 20 30 GHEDRO N#C[C@@H](c1ccc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)nn1)c1ccccc1F ZINC001165123242 1026618872 /nfs/dbraw/zinc/61/88/72/1026618872.db2.gz NOFFERKNQFXMAV-HXUWFJFHSA-N 1 0 399.473 3.593 20 30 GHEDRO Cc1nc(C#N)cnc1N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001165142131 1026631848 /nfs/dbraw/zinc/63/18/48/1026631848.db2.gz ZVAYJLBNGONQTE-QHCPKHFHSA-N 1 0 383.499 3.938 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)c1 ZINC001139874695 1026690031 /nfs/dbraw/zinc/69/00/31/1026690031.db2.gz IREIXQHTEVOKRH-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[NH+]2CCC(CC#N)CC2)CC1 ZINC001140071872 1026852372 /nfs/dbraw/zinc/85/23/72/1026852372.db2.gz CLLMIJFZRDAQIZ-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CCN(C(=O)c5ccco5)C4)CC3)c2c1 ZINC001140111905 1026892007 /nfs/dbraw/zinc/89/20/07/1026892007.db2.gz GGEHNAVSVXTWLD-UHFFFAOYSA-N 1 0 388.471 3.761 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)[C@@H]2CC ZINC001140111705 1026892337 /nfs/dbraw/zinc/89/23/37/1026892337.db2.gz CYVXNAYKKCNMEG-GGAORHGYSA-N 1 0 376.504 3.961 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)[C@H]2CC ZINC001140111706 1026892575 /nfs/dbraw/zinc/89/25/75/1026892575.db2.gz CYVXNAYKKCNMEG-GMAHTHKFSA-N 1 0 376.504 3.961 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CN(c5cccc(F)c5)C4=O)CC3)c2c1 ZINC001140113741 1026894921 /nfs/dbraw/zinc/89/49/21/1026894921.db2.gz CKHRKCPSMPKEQP-UHFFFAOYSA-N 1 0 388.446 3.808 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4cc5[nH]ccc5c[nH+]4)C3)C2)c1 ZINC001166451437 1027004709 /nfs/dbraw/zinc/00/47/09/1027004709.db2.gz LSBIUJNPTJNHDJ-QHCPKHFHSA-N 1 0 387.487 3.558 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001461197361 1069437880 /nfs/dbraw/zinc/43/78/80/1069437880.db2.gz UQXJQOMJWYVISL-GOSISDBHSA-N 1 0 389.499 3.967 20 30 GHEDRO CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC001461208970 1069443690 /nfs/dbraw/zinc/44/36/90/1069443690.db2.gz JLIPPVCVFWVEDP-NRFANRHFSA-N 1 0 375.497 3.984 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000840152496 1027284984 /nfs/dbraw/zinc/28/49/84/1027284984.db2.gz HJJALLRADBBLIU-UHFFFAOYSA-N 1 0 399.498 3.647 20 30 GHEDRO N#CCCSCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000840214596 1027351025 /nfs/dbraw/zinc/35/10/25/1027351025.db2.gz SFUUWHQPFBEIIV-UHFFFAOYSA-N 1 0 394.544 3.594 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)cc1OC)CC2 ZINC001203471649 1027362525 /nfs/dbraw/zinc/36/25/25/1027362525.db2.gz OEZLYWIWIRFMFV-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC000840294512 1027419905 /nfs/dbraw/zinc/41/99/05/1027419905.db2.gz WNBRNKDVGPZZDE-UHFFFAOYSA-N 1 0 394.906 3.826 20 30 GHEDRO COc1cccc([C@@H](C#N)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1OC ZINC000840324797 1027453854 /nfs/dbraw/zinc/45/38/54/1027453854.db2.gz ZARJXGVFYOIGDK-HXUWFJFHSA-N 1 0 393.487 3.684 20 30 GHEDRO CC(C)NC(=O)c1ccccc1OC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203764288 1027585502 /nfs/dbraw/zinc/58/55/02/1027585502.db2.gz JUDRAANJDGMHDT-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(OC)cc(OC)c1)CC2 ZINC001203854724 1027661192 /nfs/dbraw/zinc/66/11/92/1027661192.db2.gz OAWHLHCSDHCBQX-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO CC[N@H+](Cc1ccc(C#N)c(SC)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001141939483 1027711344 /nfs/dbraw/zinc/71/13/44/1027711344.db2.gz QYBSHUXPEFODDE-UHFFFAOYSA-N 1 0 390.553 3.897 20 30 GHEDRO CSc1nc(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)ccc1C#N ZINC001141944032 1027720481 /nfs/dbraw/zinc/72/04/81/1027720481.db2.gz UUSRFXPKJZHJDV-OAQYLSRUSA-N 1 0 378.545 3.870 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1)N1CCCC1 ZINC001141977742 1027792888 /nfs/dbraw/zinc/79/28/88/1027792888.db2.gz OFMOUDUTWMYOTH-UHFFFAOYSA-N 1 0 393.556 3.918 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000840759423 1027796981 /nfs/dbraw/zinc/79/69/81/1027796981.db2.gz MBXXGRAQBAKACH-CYBMUJFWSA-N 1 0 375.394 3.663 20 30 GHEDRO C[NH2+]Cc1ccc(Nc2cc(C)c(C#N)cc2I)cc1 ZINC001211135497 1027805345 /nfs/dbraw/zinc/80/53/45/1027805345.db2.gz TXSRUFUATTUDLD-UHFFFAOYSA-N 1 0 377.229 3.934 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2COc3c(F)cc(F)cc3C2)c1 ZINC001204020208 1027809980 /nfs/dbraw/zinc/80/99/80/1027809980.db2.gz KNUQMFYIUCECKQ-AWEZNQCLSA-N 1 0 379.204 3.692 20 30 GHEDRO C=CC[N@@H+](Cc1cc(I)c(O)c(OC)c1)C(C)(C)C ZINC001204109970 1027880271 /nfs/dbraw/zinc/88/02/71/1027880271.db2.gz OQKWTFIUOUBEAZ-UHFFFAOYSA-N 1 0 375.250 3.792 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001211321745 1027909101 /nfs/dbraw/zinc/90/91/01/1027909101.db2.gz RHGODHAZUILFIV-OALUTQOASA-N 1 0 382.552 3.815 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C2 ZINC001142167636 1028284773 /nfs/dbraw/zinc/28/47/73/1028284773.db2.gz JLHFHXOXCKTJET-IFMALSPDSA-N 1 0 375.557 3.829 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1=O ZINC001142192788 1028333677 /nfs/dbraw/zinc/33/36/77/1028333677.db2.gz VREDLIRPOUMESS-HSZRJFAPSA-N 1 0 384.520 3.642 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(Cc1[nH]cnc1C(C)(C)C)CC2 ZINC001142217262 1028391411 /nfs/dbraw/zinc/39/14/11/1028391411.db2.gz AJKRZHVKZVCVCW-UHFFFAOYSA-N 1 0 383.540 3.575 20 30 GHEDRO C#C[C@](C)(CC)NC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001214895712 1028956897 /nfs/dbraw/zinc/95/68/97/1028956897.db2.gz QCSFQKWEUIACLV-HXUWFJFHSA-N 1 0 376.932 3.795 20 30 GHEDRO C#C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001214897580 1028957423 /nfs/dbraw/zinc/95/74/23/1028957423.db2.gz AIQBQYPBMPJJOI-GOSISDBHSA-N 1 0 388.943 3.892 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2cc(C#N)ccc2I)c1F ZINC001216225768 1029575134 /nfs/dbraw/zinc/57/51/34/1029575134.db2.gz XPZKYVCUCFQIJY-UHFFFAOYSA-N 1 0 381.192 3.765 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)c[nH]c2c1 ZINC001142916796 1029689809 /nfs/dbraw/zinc/68/98/09/1029689809.db2.gz ZGZZMABLYUHUQO-YTFSRNRJSA-N 1 0 379.504 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001142921376 1029697163 /nfs/dbraw/zinc/69/71/63/1029697163.db2.gz KRFNPTPLKPDROA-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO CN1c2ccccc2C2(CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)CC1=O ZINC001142928685 1029709591 /nfs/dbraw/zinc/70/95/91/1029709591.db2.gz HIPHBTQLYDEJJP-UHFFFAOYSA-N 1 0 384.483 3.940 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(OC4CCOCC4)c(C#N)c3)sc2C1 ZINC001216662239 1029721141 /nfs/dbraw/zinc/72/11/41/1029721141.db2.gz FIFUYSQRUUSTKN-UHFFFAOYSA-N 1 0 394.500 3.781 20 30 GHEDRO COC(=O)c1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)c2c1 ZINC001143238740 1029936651 /nfs/dbraw/zinc/93/66/51/1029936651.db2.gz GYUPDPLHLAMNQT-HXUWFJFHSA-N 1 0 389.455 3.870 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC001222070712 1029955942 /nfs/dbraw/zinc/95/59/42/1029955942.db2.gz LMMIBVRACNVYNA-SFHVURJKSA-N 1 0 379.932 3.690 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(F)c(OC)c1F)[C@@H]2CC ZINC001143315097 1030021852 /nfs/dbraw/zinc/02/18/52/1030021852.db2.gz XIQQCUYYOIRDSD-UTKZUKDTSA-N 1 0 378.463 3.895 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC001217645647 1030570094 /nfs/dbraw/zinc/57/00/94/1030570094.db2.gz DOUZNDALAYJYOI-UHFFFAOYSA-N 1 0 393.329 3.906 20 30 GHEDRO C#C[C@@H](COc1cccc(C(F)(F)F)c1)OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217929066 1030674135 /nfs/dbraw/zinc/67/41/35/1030674135.db2.gz RRQBNYALJILJGP-IBGZPJMESA-N 1 0 375.390 3.949 20 30 GHEDRO C[NH2+][C@H]1C[C@H](Oc2cc(OC)cc(OC)c2C(=O)/C=C/c2ccc(OC)cc2)C1 ZINC001217955647 1030687430 /nfs/dbraw/zinc/68/74/30/1030687430.db2.gz XYZFXLDVBRXKMG-YFFJUHHSSA-N 1 0 397.471 3.738 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CCCC[NH2+]C2)c1OC ZINC001217976563 1030700607 /nfs/dbraw/zinc/70/06/07/1030700607.db2.gz XABQAUASAUNKKX-FLVLSHQESA-N 1 0 397.471 3.826 20 30 GHEDRO COc1cc(O)cc(O[C@H](C)C2CC[NH2+]CC2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218004295 1030716712 /nfs/dbraw/zinc/71/67/12/1030716712.db2.gz CFQGWIUXTOTWLJ-SBJJXXPASA-N 1 0 397.471 3.769 20 30 GHEDRO Cc1cc(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218111972 1030777320 /nfs/dbraw/zinc/77/73/20/1030777320.db2.gz HDLGYALAMNYBOM-GICOHTPPSA-N 1 0 379.456 3.740 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CC[C@@]34CC[NH2+]C4)c3ccccc23)ccc1F ZINC001218120588 1030783277 /nfs/dbraw/zinc/78/32/77/1030783277.db2.gz UJQUJPBKCKFTAM-GGAORHGYSA-N 1 0 388.446 3.752 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218123224 1030785457 /nfs/dbraw/zinc/78/54/57/1030785457.db2.gz MGVXEKUGYPGEHH-RDPSFJRHSA-N 1 0 387.483 3.635 20 30 GHEDRO COc1cc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218133855 1030790982 /nfs/dbraw/zinc/79/09/82/1030790982.db2.gz JSSQRSPQTKHVHP-NIECHSOYSA-N 1 0 379.456 3.674 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218146034 1030795630 /nfs/dbraw/zinc/79/56/30/1030795630.db2.gz GCOAACAQYSOUJR-MDZSPNPESA-N 1 0 379.456 3.761 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c(C#N)c2)nc1C ZINC001218186166 1030813572 /nfs/dbraw/zinc/81/35/72/1030813572.db2.gz MKSIVFOVGOQCJU-BJWYYQGGSA-N 1 0 397.500 3.829 20 30 GHEDRO C[C@H](Oc1ccc(CN2CC[NH2+]CC2)cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC001218197547 1030819673 /nfs/dbraw/zinc/81/96/73/1030819673.db2.gz QVBNPWIOQQAFON-NSHDSACASA-N 1 0 388.327 3.692 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(I)cc1C(F)(F)F ZINC001218211043 1030832415 /nfs/dbraw/zinc/83/24/15/1030832415.db2.gz PKTNOXAAOMQVGP-LBPRGKRZSA-N 1 0 383.151 3.607 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(Cl)cc(Cl)cc1I ZINC001218210420 1030833427 /nfs/dbraw/zinc/83/34/27/1030833427.db2.gz BWKQSXMCZIXEEL-LLVKDONJSA-N 1 0 384.044 3.895 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)cc(OC)c1C(=O)/C=C/c1ccccc1 ZINC001218211058 1030833625 /nfs/dbraw/zinc/83/36/25/1030833625.db2.gz PORUTQBBELAYHR-CZQLGGELSA-N 1 0 379.456 3.897 20 30 GHEDRO COc1cc(O[C@@H]2CCC3(C[NH2+]C3)C2)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218238920 1030845528 /nfs/dbraw/zinc/84/55/28/1030845528.db2.gz SBOAZWSQIAWKGD-MVHVFESUSA-N 1 0 379.456 3.818 20 30 GHEDRO O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218283592 1030869616 /nfs/dbraw/zinc/86/96/16/1030869616.db2.gz PITYNYYPANWQBL-IOGNFTANSA-N 1 0 391.467 3.778 20 30 GHEDRO CCC(=O)[C@H]1C[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2OC)C[NH2+]1 ZINC001218326729 1030893829 /nfs/dbraw/zinc/89/38/29/1030893829.db2.gz ZBLJEKOPMFCMNR-JXGFJBPRSA-N 1 0 379.456 3.680 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[C@H](C)[NH2+]C3)c(C#N)c2)nc1C ZINC001218399610 1030919833 /nfs/dbraw/zinc/91/98/33/1030919833.db2.gz BJUJADBVDMLBFI-LRDDRELGSA-N 1 0 385.489 3.686 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218409583 1030927844 /nfs/dbraw/zinc/92/78/44/1030927844.db2.gz VQBQTRUEMMWBDT-FQEVSTJZSA-N 1 0 387.483 3.635 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[NH2+]C[C@@H]2C)c1OC ZINC001218420663 1030931362 /nfs/dbraw/zinc/93/13/62/1030931362.db2.gz DMAKCMSYCSVCIN-RPNVQLJDSA-N 1 0 397.471 3.682 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC001218418820 1030931647 /nfs/dbraw/zinc/93/16/47/1030931647.db2.gz WZTXYCYCGVPAHV-AFNCWWAVSA-N 1 0 381.472 3.977 20 30 GHEDRO C=C(C)C[C@@H](Oc1nc2ccc(C(=O)CCN3CC[NH2+]CC3)cc2o1)C(=C)C ZINC001218435843 1030935964 /nfs/dbraw/zinc/93/59/64/1030935964.db2.gz GELHUTGJCJVRAU-HXUWFJFHSA-N 1 0 383.492 3.596 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc2c(cc1[C@@H]1C(=O)Nc3ccccc31)OCO2 ZINC001218456762 1030944236 /nfs/dbraw/zinc/94/42/36/1030944236.db2.gz WNDINSAUUJMXOD-JBYIUTFZSA-N 1 0 392.455 3.575 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c1C(=O)/C=C/c1ccccc1 ZINC001218459711 1030945638 /nfs/dbraw/zinc/94/56/38/1030945638.db2.gz HRTHUMHOBANNMG-JANLGCNXSA-N 1 0 379.456 3.674 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC001218524580 1030973112 /nfs/dbraw/zinc/97/31/12/1030973112.db2.gz MXIOZZRULXDJBA-BEFAXECRSA-N 1 0 388.496 3.841 20 30 GHEDRO N#Cc1cnnc(-c2ccccc2)c1NC(=O)[C@@H]([NH3+])Cc1cccc2ccccc21 ZINC001218719230 1031050132 /nfs/dbraw/zinc/05/01/32/1031050132.db2.gz XJNBLRBOSSFUTL-NRFANRHFSA-N 1 0 393.450 3.677 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)c(OC(F)(F)F)c1 ZINC001218839959 1031107110 /nfs/dbraw/zinc/10/71/10/1031107110.db2.gz JKDOOHSLHRIPMX-AFRKLYKTSA-N 1 0 393.409 3.939 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3csc(C(F)(F)F)c3)C2)C1=O ZINC001276997251 1031122296 /nfs/dbraw/zinc/12/22/96/1031122296.db2.gz TZLKRIQXUKDLGJ-KRWDZBQOSA-N 1 0 386.439 3.684 20 30 GHEDRO N#Cc1ccnc(N2CCC(OC[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001224822285 1031136723 /nfs/dbraw/zinc/13/67/23/1031136723.db2.gz APTBFBDXXKWREE-QFIPXVFZSA-N 1 0 390.531 3.851 20 30 GHEDRO N=C(c1ccccc1N)N(O)C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001218968121 1031185747 /nfs/dbraw/zinc/18/57/47/1031185747.db2.gz HJYASYHGCFBQBS-QFIPXVFZSA-N 1 0 398.466 3.688 20 30 GHEDRO COc1ccc(CSC[C@H]([NH3+])C(=O)Nc2c(F)cc(C#N)cc2Cl)cc1 ZINC001218994232 1031200111 /nfs/dbraw/zinc/20/01/11/1031200111.db2.gz AJBREPVGVBJKQO-INIZCTEOSA-N 1 0 393.871 3.559 20 30 GHEDRO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218997077 1031202002 /nfs/dbraw/zinc/20/20/02/1031202002.db2.gz QYHISUODGUNLAW-REWPJTCUSA-N 1 0 388.515 3.628 20 30 GHEDRO C#CCN(C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)C1CC1 ZINC001225046278 1031223575 /nfs/dbraw/zinc/22/35/75/1031223575.db2.gz GADHLSPCHBATFM-GOSISDBHSA-N 1 0 381.442 3.896 20 30 GHEDRO CCc1cc(NC(=O)[C@H](c2ccsc2)N2CCC[NH2+]CC2)cc(CC)c1C#N ZINC001219112485 1031258000 /nfs/dbraw/zinc/25/80/00/1031258000.db2.gz ITUJMZYOWQRJMF-NRFANRHFSA-N 1 0 396.560 3.720 20 30 GHEDRO CCc1cc(NC(=O)[C@H](c2ccsc2)N2CCC[C@H]([NH3+])C2)cc(CC)c1C#N ZINC001219112367 1031258200 /nfs/dbraw/zinc/25/82/00/1031258200.db2.gz FDWMNCOXLOWSJI-RXVVDRJESA-N 1 0 396.560 3.847 20 30 GHEDRO CCc1cc(NC(=O)[C@H]2OC3(CC[NH2+]CC3)c3ccccc32)cc(CC)c1C#N ZINC001219112919 1031258385 /nfs/dbraw/zinc/25/83/85/1031258385.db2.gz ZQEIRZZKOQGGAR-QFIPXVFZSA-N 1 0 389.499 3.972 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)cc3ncoc32)C1 ZINC001219412748 1031407992 /nfs/dbraw/zinc/40/79/92/1031407992.db2.gz RLUDAMQJWICVFG-XIKOKIGWSA-N 1 0 380.835 3.512 20 30 GHEDRO COC(=O)C1=C[C@@H](Oc2cc(Cl)cc(C#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC001225698902 1031549742 /nfs/dbraw/zinc/54/97/42/1031549742.db2.gz BWCDOCSFKAHIFN-HXUWFJFHSA-N 1 0 382.847 3.574 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC(=O)N2CCCCc3ccccc32)cc1OC ZINC001461791328 1069749909 /nfs/dbraw/zinc/74/99/09/1069749909.db2.gz CFEUVZOGZUPXGT-UHFFFAOYSA-N 1 0 380.488 3.719 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001219940517 1031706888 /nfs/dbraw/zinc/70/68/88/1031706888.db2.gz XHLTUOLFWHQNQP-KZNAEPCWSA-N 1 0 377.492 3.663 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)cc2n1 ZINC001220157520 1031806968 /nfs/dbraw/zinc/80/69/68/1031806968.db2.gz LYEUPPPEHFCBEM-FQEVSTJZSA-N 1 0 377.492 3.517 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)cc21 ZINC001220202000 1031833194 /nfs/dbraw/zinc/83/31/94/1031833194.db2.gz JGCWEIWKENTBCM-KRWDZBQOSA-N 1 0 377.492 3.864 20 30 GHEDRO C#CCN(C(=O)NCc1cccc(-c2cccc(C)c2)c1)C1CC[NH+](C)CC1 ZINC001226199550 1031845723 /nfs/dbraw/zinc/84/57/23/1031845723.db2.gz BVUYUVRHNRDLBK-UHFFFAOYSA-N 1 0 375.516 3.901 20 30 GHEDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2C2CC2)[NH+](C)C)cc1 ZINC001220289516 1031881944 /nfs/dbraw/zinc/88/19/44/1031881944.db2.gz GRVBQXKTTAFTMY-QFIPXVFZSA-N 1 0 391.519 3.926 20 30 GHEDRO C[C@@H](Oc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1)[C@H](C)S ZINC001226474128 1031972293 /nfs/dbraw/zinc/97/22/93/1031972293.db2.gz TXTJNUYXVGPCPE-CVEARBPZSA-N 1 0 380.554 3.825 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277135146 1031994911 /nfs/dbraw/zinc/99/49/11/1031994911.db2.gz DXDHBXAHZKMEQA-HXUWFJFHSA-N 1 0 378.900 3.500 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)C(C)C ZINC001220597966 1032003706 /nfs/dbraw/zinc/00/37/06/1032003706.db2.gz KTTZRVLNXUDTRK-ZCNNSNEGSA-N 1 0 379.589 3.826 20 30 GHEDRO CC[C@@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[N@@H+]1CCc2ccccc2C1 ZINC001220621238 1032022198 /nfs/dbraw/zinc/02/21/98/1032022198.db2.gz BDTJGBDPZSUYNG-IBGZPJMESA-N 1 0 382.533 3.598 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001220663712 1032050062 /nfs/dbraw/zinc/05/00/62/1032050062.db2.gz LPXMSVFNUWQCAM-AEFFLSMTSA-N 1 0 377.488 3.870 20 30 GHEDRO CC[NH+](CC)C[C@@H](C)Oc1cc(/C=C2\Oc3cc(O)ccc3C2=O)ccc1O ZINC001229209946 1033345122 /nfs/dbraw/zinc/34/51/22/1033345122.db2.gz ZZSKPLXVIRTUPM-WHJAWBAWSA-N 1 0 383.444 3.823 20 30 GHEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001205389101 1033390207 /nfs/dbraw/zinc/39/02/07/1033390207.db2.gz SOSYNQCFRBDGDD-INIZCTEOSA-N 1 0 384.487 3.946 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)ccc1F ZINC001205467144 1033425838 /nfs/dbraw/zinc/42/58/38/1033425838.db2.gz JYPKOYPYSKKXPC-OAQYLSRUSA-N 1 0 383.492 3.887 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(F)c(C#N)c4)C3)C2=O)c1 ZINC001205473330 1033428726 /nfs/dbraw/zinc/42/87/26/1033428726.db2.gz VHRXOTWUAXKTBO-QHCPKHFHSA-N 1 0 377.463 3.630 20 30 GHEDRO COCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001205502345 1033443718 /nfs/dbraw/zinc/44/37/18/1033443718.db2.gz RJPTXOHZXUDKKC-GOSISDBHSA-N 1 0 391.487 3.545 20 30 GHEDRO C[N@@H+]1CCC[C@@H](Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)CC1 ZINC001229379430 1033447709 /nfs/dbraw/zinc/44/77/09/1033447709.db2.gz FFYVYFKDNVJQGN-ZLKYTNSRSA-N 1 0 379.504 3.793 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cccc(Br)c3Cl)CC2)C1=O ZINC001277391474 1033508182 /nfs/dbraw/zinc/50/81/82/1033508182.db2.gz HJRNXSNLKCYFLU-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO N#Cc1ccc2ccnc(N(c3ncnc4ccccc43)C3CC[NH2+]CC3)c2c1 ZINC001157319117 1033531805 /nfs/dbraw/zinc/53/18/05/1033531805.db2.gz HZUPLDBYYCQLOC-UHFFFAOYSA-N 1 0 380.455 3.940 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157426560 1033581316 /nfs/dbraw/zinc/58/13/16/1033581316.db2.gz RKYPUVKIWMXOIO-HNNXBMFYSA-N 1 0 376.838 3.910 20 30 GHEDRO C=CCCSCCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001229654200 1033618768 /nfs/dbraw/zinc/61/87/68/1033618768.db2.gz YKEKOKAPGJKBTQ-HXUWFJFHSA-N 1 0 375.582 3.897 20 30 GHEDRO C(#CC1CCN(c2ccc(OCC3CC[NH2+]CC3)cn2)CC1)c1ccccc1 ZINC001157530700 1033644257 /nfs/dbraw/zinc/64/42/57/1033644257.db2.gz BENSVBISFSBYDU-UHFFFAOYSA-N 1 0 375.516 3.728 20 30 GHEDRO CC(C)(C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001157536478 1033647247 /nfs/dbraw/zinc/64/72/47/1033647247.db2.gz NPWZRRCFYIWABZ-NEPJUHHUSA-N 1 0 386.311 3.509 20 30 GHEDRO Cc1nc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)ccc1C#N ZINC001157665769 1033709716 /nfs/dbraw/zinc/70/97/16/1033709716.db2.gz QADUFSHUHKTWPQ-UHFFFAOYSA-N 1 0 390.531 3.912 20 30 GHEDRO CCC[NH+]1C[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]2C1 ZINC001157698349 1033729304 /nfs/dbraw/zinc/72/93/04/1033729304.db2.gz FFWZSYJGUSAHPQ-HOTGVXAUSA-N 1 0 383.883 3.572 20 30 GHEDRO C[C@H]1[C@H]([NH3+])CCCN1c1nc(C#C[Si](C)(C)C)ccc1NC(=O)C(C)(C)C ZINC001157748032 1033752176 /nfs/dbraw/zinc/75/21/76/1033752176.db2.gz WMKWJJYKRIBKEV-DOTOQJQBSA-N 1 0 386.616 3.611 20 30 GHEDRO N#Cc1ccc(Br)c(CN(CC[NH3+])c2ccc3ccccc3n2)c1 ZINC001206320305 1033795592 /nfs/dbraw/zinc/79/55/92/1033795592.db2.gz JNRMUEAKHQWLIF-UHFFFAOYSA-N 1 0 381.277 3.834 20 30 GHEDRO COc1ccc(CN(c2ccc(C3(C#N)CCC3)cn2)C2CC[NH2+]CC2)cc1F ZINC001158006755 1033864246 /nfs/dbraw/zinc/86/42/46/1033864246.db2.gz BLKLYUAYPLHPKL-UHFFFAOYSA-N 1 0 394.494 3.933 20 30 GHEDRO COc1cccc(N(c2nc(Cl)c(Cl)c(C)c2C#N)C2CC[NH2+]CC2)n1 ZINC001158054058 1033888711 /nfs/dbraw/zinc/88/87/11/1033888711.db2.gz KAGDSPZTCPGPHJ-UHFFFAOYSA-N 1 0 392.290 3.862 20 30 GHEDRO COc1cccc(N(c2nc(-c3cccs3)ccc2C#N)C2CC[NH2+]CC2)n1 ZINC001158060260 1033896333 /nfs/dbraw/zinc/89/63/33/1033896333.db2.gz NJVBHPAPJOJQRV-UHFFFAOYSA-N 1 0 391.500 3.975 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](Oc2c(O)ccc(/C=C/C(=O)c3ccc(O)cc3)c2OC)C1 ZINC001230153281 1033920547 /nfs/dbraw/zinc/92/05/47/1033920547.db2.gz DGHHCXBLWYGLAP-YRVHBARZSA-N 1 0 397.471 3.866 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001158136991 1033930183 /nfs/dbraw/zinc/93/01/83/1033930183.db2.gz OPYKAGGBYBGWHZ-UHFFFAOYSA-N 1 0 388.862 3.899 20 30 GHEDRO COc1ccnc(N(c2nc3c(cc2C#N)CCCC3(C)C)C2CC[NH2+]CC2)c1 ZINC001158324686 1034024068 /nfs/dbraw/zinc/02/40/68/1034024068.db2.gz BOGDJIKMJRNZGZ-UHFFFAOYSA-N 1 0 391.519 3.861 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)cc(C)c1Cl)C2 ZINC001277455080 1034034519 /nfs/dbraw/zinc/03/45/19/1034034519.db2.gz ASYULXVRZDYQDZ-NRFANRHFSA-N 1 0 376.928 3.584 20 30 GHEDRO Cn1cc(C[N@H+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1C#N ZINC001207108581 1034095007 /nfs/dbraw/zinc/09/50/07/1034095007.db2.gz MWNXVFVPRBLDLI-WGSAOQKQSA-N 1 0 386.540 3.945 20 30 GHEDRO Cn1cc(C[N@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1C#N ZINC001207110097 1034097764 /nfs/dbraw/zinc/09/77/64/1034097764.db2.gz CUKADJMKUFVPDY-DEOSSOPVSA-N 1 0 398.510 3.700 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCc1c(Cl)ncnc1Cl)[C@H]2CC ZINC001207324776 1034272595 /nfs/dbraw/zinc/27/25/95/1034272595.db2.gz DSQRMYALTDOQCM-KXBFYZLASA-N 1 0 397.350 3.748 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](C[C@@H]3CCOC(C)(C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001207356226 1034300593 /nfs/dbraw/zinc/30/05/93/1034300593.db2.gz VEYGAQQDHGGZIH-ZYKOEDHHSA-N 1 0 382.548 3.696 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(c2ccc([C@H]3CCCC[N@H+]3CCC)cn2)C1 ZINC001158914093 1034334877 /nfs/dbraw/zinc/33/48/77/1034334877.db2.gz AZXQVYQCGXKENV-WOJBJXKFSA-N 1 0 386.540 3.900 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cc(C#N)cc(Cl)n3)nc3ccc(C)cc3n12 ZINC001159131073 1034440739 /nfs/dbraw/zinc/44/07/39/1034440739.db2.gz KDYYFCKDXCYRHA-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC001231264432 1034492342 /nfs/dbraw/zinc/49/23/42/1034492342.db2.gz WOTKTZJMLUAMFB-OAQYLSRUSA-N 1 0 380.536 3.854 20 30 GHEDRO COCC[C@H](C[NH+]1CCC(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC001207688886 1034529177 /nfs/dbraw/zinc/52/91/77/1034529177.db2.gz OENSCSSMQFMRIF-HXUWFJFHSA-N 1 0 387.524 3.667 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(Br)c1C)CC2 ZINC001277510279 1034546355 /nfs/dbraw/zinc/54/63/55/1034546355.db2.gz NTVWGBXVQNOHFD-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO Cc1cc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)ncc1C#N ZINC001159519752 1034635079 /nfs/dbraw/zinc/63/50/79/1034635079.db2.gz JHHSBSUWTYDFLJ-QHCPKHFHSA-N 1 0 386.499 3.737 20 30 GHEDRO N#CCc1ccnc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001159521724 1034637866 /nfs/dbraw/zinc/63/78/66/1034637866.db2.gz ZZBANIUHXOGHSP-HSZRJFAPSA-N 1 0 386.499 3.623 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)C1=O ZINC001231510577 1034657614 /nfs/dbraw/zinc/65/76/14/1034657614.db2.gz VDZFAOYKEZFHQM-UHFFFAOYSA-N 1 0 389.543 3.648 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)C2 ZINC001231522696 1034673386 /nfs/dbraw/zinc/67/33/86/1034673386.db2.gz RSTSYTLWEYHZSM-OALUTQOASA-N 1 0 385.426 3.985 20 30 GHEDRO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4ccccc4C#Cc4ccccc4)C[C@H]3O2)n1 ZINC001231578182 1034729538 /nfs/dbraw/zinc/72/95/38/1034729538.db2.gz JVHMQAKOYMXZQO-RBZQAINGSA-N 1 0 399.494 3.610 20 30 GHEDRO CCCNC(=O)COC1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231579090 1034730087 /nfs/dbraw/zinc/73/00/87/1034730087.db2.gz ZOVVIRJFCYTETK-UHFFFAOYSA-N 1 0 390.527 3.594 20 30 GHEDRO COc1cc(C#N)ccc1CN1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001231619921 1034778012 /nfs/dbraw/zinc/77/80/12/1034778012.db2.gz TXCQCPIWVMPEKZ-HSZRJFAPSA-N 1 0 379.479 3.946 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1 ZINC001231622744 1034781278 /nfs/dbraw/zinc/78/12/78/1034781278.db2.gz GYKNKZJAXOOKAM-NZQKXSOJSA-N 1 0 398.478 3.988 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCOC)[C@H]2CC)c1 ZINC001231623042 1034783209 /nfs/dbraw/zinc/78/32/09/1034783209.db2.gz RHRCEOGNJDMABL-GGAORHGYSA-N 1 0 386.536 3.633 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC001231657762 1034815198 /nfs/dbraw/zinc/81/51/98/1034815198.db2.gz SRHKAAHLQQIUJB-RPWUZVMVSA-N 1 0 376.500 3.651 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1OC(C)=O ZINC001231711861 1034854569 /nfs/dbraw/zinc/85/45/69/1034854569.db2.gz NLDLGOVUJFARDV-HXUWFJFHSA-N 1 0 380.444 3.536 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3ncccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001160100068 1034859578 /nfs/dbraw/zinc/85/95/78/1034859578.db2.gz PBNLRVSVGIADIW-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2c3ccccc3OC[C@H]2C[NH3+])cc1F ZINC001160199961 1034900139 /nfs/dbraw/zinc/90/01/39/1034900139.db2.gz MSLYDHHLAMGCIP-CYBMUJFWSA-N 1 0 395.825 3.666 20 30 GHEDRO CSc1ccccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001231785197 1034908124 /nfs/dbraw/zinc/90/81/24/1034908124.db2.gz YSFLVTDEKXJYKE-JOCHJYFZSA-N 1 0 377.513 3.909 20 30 GHEDRO CC1(C)CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC(C)(C)[NH2+]1 ZINC001208516569 1034920704 /nfs/dbraw/zinc/92/07/04/1034920704.db2.gz GAMXKEBFUMRGTP-HNNXBMFYSA-N 1 0 382.430 3.724 20 30 GHEDRO C#Cc1cccc(N(c2ccncc2C[NH3+])c2ncnc3cc(OC)c(N)cc32)c1 ZINC001160279498 1034926614 /nfs/dbraw/zinc/92/66/14/1034926614.db2.gz DYLWMCKYNDFTII-UHFFFAOYSA-N 1 0 396.454 3.525 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001231822269 1034930211 /nfs/dbraw/zinc/93/02/11/1034930211.db2.gz ZVDITIZYQKKHQL-FQEVSTJZSA-N 1 0 386.540 3.868 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1nc(Br)ccc1F)CC2 ZINC001231942564 1035000874 /nfs/dbraw/zinc/00/08/74/1035000874.db2.gz LIOIPYYYAIJDIR-SFHVURJKSA-N 1 0 396.304 3.516 20 30 GHEDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001160551732 1035000865 /nfs/dbraw/zinc/00/08/65/1035000865.db2.gz GCFUWWQJDPYALW-YOEHRIQHSA-N 1 0 392.341 3.596 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cc(C)c(Br)cc3C)CC2)C1=O ZINC001276583019 1035011891 /nfs/dbraw/zinc/01/18/91/1035011891.db2.gz SLAYLHFCHIICPD-UHFFFAOYSA-N 1 0 389.337 3.514 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)c(Br)cc1C ZINC001277599685 1035041596 /nfs/dbraw/zinc/04/15/96/1035041596.db2.gz BZMIVOPZOPWWHL-IAGOWNOFSA-N 1 0 395.728 3.609 20 30 GHEDRO C[NH2+][C@H](C(=O)N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1)c1ccccc1 ZINC001160750829 1035055839 /nfs/dbraw/zinc/05/58/39/1035055839.db2.gz NIPMQOJMSBEHNB-FQEVSTJZSA-N 1 0 383.879 3.542 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1 ZINC001208849399 1035056776 /nfs/dbraw/zinc/05/67/76/1035056776.db2.gz GMMQNCXTWXUEEG-NZQKXSOJSA-N 1 0 395.478 3.727 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001208851562 1035058275 /nfs/dbraw/zinc/05/82/75/1035058275.db2.gz HOWRFMBAZKEHKB-UHFFFAOYSA-N 1 0 375.520 3.663 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(CCCc4ccc(C#N)cc4)CC[N@@H+]3C2)cc1 ZINC001208857428 1035061228 /nfs/dbraw/zinc/06/12/28/1035061228.db2.gz DYZPWSJNVCPKND-LADGPHEKSA-N 1 0 375.516 3.637 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2cn(CC3CC3)nc21 ZINC001208858599 1035062213 /nfs/dbraw/zinc/06/22/13/1035062213.db2.gz ISYDKFQFKMGNDE-QFIPXVFZSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1 ZINC001208859322 1035063009 /nfs/dbraw/zinc/06/30/09/1035063009.db2.gz PHMVAZCHAPRWDY-UPVQGACJSA-N 1 0 391.515 3.836 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@H+](CCCc4ccc(C#N)cc4)C3)CC2=O)s1 ZINC001208862066 1035064642 /nfs/dbraw/zinc/06/46/42/1035064642.db2.gz SPKGAFYEGPJPOC-QFIPXVFZSA-N 1 0 379.529 3.990 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)cc1 ZINC001208921949 1035090053 /nfs/dbraw/zinc/09/00/53/1035090053.db2.gz AJLXKVAIDLQOMZ-ISKFKSNPSA-N 1 0 391.515 3.584 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)cc1 ZINC001208921892 1035090103 /nfs/dbraw/zinc/09/01/03/1035090103.db2.gz ABRKHXKABQYVRP-RUZDIDTESA-N 1 0 387.527 3.658 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC001208926749 1035092015 /nfs/dbraw/zinc/09/20/15/1035092015.db2.gz LADKGDOFLQTKFO-VWLOTQADSA-N 1 0 396.494 3.732 20 30 GHEDRO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](CCc4ccc(C#N)cc4)C[C@H]3O2)n1 ZINC001208925633 1035092109 /nfs/dbraw/zinc/09/21/09/1035092109.db2.gz KELAYUGNFNFXSY-ILWGZMRPSA-N 1 0 376.504 3.866 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001160951051 1035103232 /nfs/dbraw/zinc/10/32/32/1035103232.db2.gz JCUBVXQMMCUVLU-MTPJWFLBSA-N 1 0 391.515 3.526 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNc1nc(Cl)nc2c1ncn2Cc1ccccc1 ZINC001160952786 1035104673 /nfs/dbraw/zinc/10/46/73/1035104673.db2.gz AWZGJTSXBZSAFK-INIZCTEOSA-N 1 0 382.899 3.590 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]12 ZINC001232118160 1035105707 /nfs/dbraw/zinc/10/57/07/1035105707.db2.gz JZLFAYVICOPQHM-JFIYKMOQSA-N 1 0 375.900 3.947 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CCC2)C1 ZINC001160994446 1035114485 /nfs/dbraw/zinc/11/44/85/1035114485.db2.gz WSHFOWSTHREUIB-PKTZIBPZSA-N 1 0 387.527 3.862 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(-c3cccnc3)o1)[C@@H]2CC ZINC001232131789 1035114529 /nfs/dbraw/zinc/11/45/29/1035114529.db2.gz SBLQBRJPUVWDFZ-KNQAVFIVSA-N 1 0 380.492 3.658 20 30 GHEDRO C=CCN(CCN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)C(=O)OCC ZINC001209020401 1035152193 /nfs/dbraw/zinc/15/21/93/1035152193.db2.gz IOGFLYALIGMDJY-DXBBTUNJSA-N 1 0 387.568 3.526 20 30 GHEDRO CCN(C(=O)Nc1cnc(OC)c(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001209051626 1035158690 /nfs/dbraw/zinc/15/86/90/1035158690.db2.gz ORHCJHLUDUOQEG-OXQOHEQNSA-N 1 0 393.491 3.651 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc4ccc5cccnc5c4n3)CC2)nc1 ZINC001232223693 1035170890 /nfs/dbraw/zinc/17/08/90/1035170890.db2.gz SSCDYQFGELSSFA-UHFFFAOYSA-N 1 0 394.482 3.762 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCc4cc(F)cc(F)c4)C3)CC2=O)c1 ZINC001209135610 1035188278 /nfs/dbraw/zinc/18/82/78/1035188278.db2.gz JICFWKVQXWDFQI-JOCHJYFZSA-N 1 0 381.426 3.508 20 30 GHEDRO C=CCCC[NH+]1CCC2(CC1)c1ncc(-c3ccc(OC)cc3)n1CCN2C ZINC001209162354 1035196602 /nfs/dbraw/zinc/19/66/02/1035196602.db2.gz WEGJRSDCOUQHNH-UHFFFAOYSA-N 1 0 380.536 3.761 20 30 GHEDRO COc1ccc(C#CC(=O)N(Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161400206 1035223107 /nfs/dbraw/zinc/22/31/07/1035223107.db2.gz LLYQEMKZDFZOKW-HZCBDIJESA-N 1 0 376.500 3.654 20 30 GHEDRO N#Cc1ncc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)nc1C#N ZINC001161460552 1035235264 /nfs/dbraw/zinc/23/52/64/1035235264.db2.gz GGAJNTSWYAOLOE-NHCUHLMSSA-N 1 0 394.482 3.690 20 30 GHEDRO N#Cc1nc(Cl)cnc1NCC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001161577352 1035263034 /nfs/dbraw/zinc/26/30/34/1035263034.db2.gz IXOMSQSPAWLBEV-UHFFFAOYSA-N 1 0 395.816 3.754 20 30 GHEDRO C=CCCCCCC[N@H+]1CCC[C@@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 ZINC001209435486 1035273735 /nfs/dbraw/zinc/27/37/35/1035273735.db2.gz KLPZKMMVLROOQS-HSZRJFAPSA-N 1 0 398.551 3.787 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001209436659 1035273800 /nfs/dbraw/zinc/27/38/00/1035273800.db2.gz AEJUOVAEZJZIAY-XPWALMASSA-N 1 0 399.579 3.604 20 30 GHEDRO C=CCCCCCCC[N@H+]1CC[C@@]2(C1)NC(=O)N(Cc1ccc(OC)cc1)C2=O ZINC001209442875 1035275320 /nfs/dbraw/zinc/27/53/20/1035275320.db2.gz YOSBLQLAGFYNMS-QHCPKHFHSA-N 1 0 399.535 3.718 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]2CC ZINC001209461719 1035280197 /nfs/dbraw/zinc/28/01/97/1035280197.db2.gz NEUNOFORAIBKGV-SPEDKVCISA-N 1 0 393.572 3.711 20 30 GHEDRO CSc1cc(F)c(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)cc1F ZINC001248155497 1035581655 /nfs/dbraw/zinc/58/16/55/1035581655.db2.gz QKLVYFIWVSWEQM-CYBMUJFWSA-N 1 0 386.427 3.721 20 30 GHEDRO COc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)c2ccccc12 ZINC001248158396 1035583926 /nfs/dbraw/zinc/58/39/26/1035583926.db2.gz VTZJEGPVNWIONN-QGZVFWFLSA-N 1 0 384.439 3.883 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cccc(OC(F)(F)F)c3)no2)cc1 ZINC001248156959 1035584593 /nfs/dbraw/zinc/58/45/93/1035584593.db2.gz MNHXZYMVESSTNH-HNNXBMFYSA-N 1 0 388.349 3.619 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(-c3ccc(F)cc3)cn2)no1 ZINC001248180241 1035607733 /nfs/dbraw/zinc/60/77/33/1035607733.db2.gz CJWUJQZCFAGVCZ-FQEVSTJZSA-N 1 0 399.429 3.922 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2nccc(-c3ccccc3)c2C#N)cc1 ZINC001241779356 1035696007 /nfs/dbraw/zinc/69/60/07/1035696007.db2.gz OKSPXGKEEXTYQZ-UHFFFAOYSA-N 1 0 384.483 3.969 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-c3ccc(CN4CC[NH2+]CC4)cc3)nn2)cc1 ZINC001241975970 1035771141 /nfs/dbraw/zinc/77/11/41/1035771141.db2.gz DDDJEIYIGLJQIK-QFIPXVFZSA-N 1 0 383.499 3.513 20 30 GHEDRO N#CC1(c2ccccc2-c2cc(C(=O)N3CCCC3)ccc2F)CC[NH2+]CC1 ZINC001242137844 1035830619 /nfs/dbraw/zinc/83/06/19/1035830619.db2.gz ZTDDSOPSXJLRMR-UHFFFAOYSA-N 1 0 377.463 3.873 20 30 GHEDRO CCCN(CCC)C(=O)c1ccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)cc1 ZINC001243254624 1036079542 /nfs/dbraw/zinc/07/95/42/1036079542.db2.gz VABPHPHWJHRABX-UHFFFAOYSA-N 1 0 376.504 3.918 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001248749913 1036106695 /nfs/dbraw/zinc/10/66/95/1036106695.db2.gz QAZTVXQAFNGJEN-DEOSSOPVSA-N 1 0 388.515 3.673 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H](CC(=O)N3CCCC3)CO2)CC1 ZINC001248750452 1036107803 /nfs/dbraw/zinc/10/78/03/1036107803.db2.gz KGOVYBCWFLRDFY-HXUWFJFHSA-N 1 0 395.547 3.504 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001248750473 1036107823 /nfs/dbraw/zinc/10/78/23/1036107823.db2.gz KUZBSDRTBQWZER-DEOSSOPVSA-N 1 0 388.515 3.530 20 30 GHEDRO CON(C)C(=O)c1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(Cl)c1 ZINC001243534627 1036202489 /nfs/dbraw/zinc/20/24/89/1036202489.db2.gz YIUIEZFIJWEAAA-UHFFFAOYSA-N 1 0 383.879 3.785 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2ccc([C@H](C#N)c3ccccc3F)nn2)c1 ZINC001243751343 1036268052 /nfs/dbraw/zinc/26/80/52/1036268052.db2.gz WITFWOHMVFKFNQ-LJQANCHMSA-N 1 0 376.435 3.879 20 30 GHEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001462094475 1069991061 /nfs/dbraw/zinc/99/10/61/1069991061.db2.gz XWAUJTIPGJCILJ-XMSQKQJNSA-N 1 0 377.488 3.639 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1ccc(C#C[Si](C)(C)C)nc1 ZINC001244161896 1036407285 /nfs/dbraw/zinc/40/72/85/1036407285.db2.gz WPGNZZVNDNYQHN-UHFFFAOYSA-N 1 0 379.580 3.738 20 30 GHEDRO N#Cc1cc(-c2ccc(CO)c(C(F)(F)F)c2)ccc1OC1CC[NH2+]CC1 ZINC001244589107 1036552648 /nfs/dbraw/zinc/55/26/48/1036552648.db2.gz ZFIJPHXKQQMZIY-UHFFFAOYSA-N 1 0 376.378 3.867 20 30 GHEDRO CN(C(=O)c1ccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1)c1ccccc1 ZINC001245126377 1036770050 /nfs/dbraw/zinc/77/00/50/1036770050.db2.gz CPZIUVVPXWGFNB-UHFFFAOYSA-N 1 0 396.494 3.911 20 30 GHEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC001245788363 1036998984 /nfs/dbraw/zinc/99/89/84/1036998984.db2.gz SNSXHUJEMDNVEH-QDMKHBRRSA-N 1 0 382.455 3.879 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001245800983 1037005055 /nfs/dbraw/zinc/00/50/55/1037005055.db2.gz DGBYPBBSKZYENH-UHFFFAOYSA-N 1 0 384.471 3.984 20 30 GHEDRO N#Cc1cc(NC[C@]2(O)CC[NH2+]C2)ccc1Sc1cccc(C(F)(F)F)c1 ZINC001245961370 1037083560 /nfs/dbraw/zinc/08/35/60/1037083560.db2.gz OURLBTUJJGORLZ-SFHVURJKSA-N 1 0 393.434 3.865 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC2CC1(C[NH3+])C2 ZINC001246029297 1037145652 /nfs/dbraw/zinc/14/56/52/1037145652.db2.gz WEMOARJDPNUSJW-KOENEWCDSA-N 1 0 398.632 3.725 20 30 GHEDRO CCCCCCCCOC(=O)[C@H](N)Cc1cn([C@H]2CC[NH2+]C2)c2ccccc12 ZINC001246282399 1037275731 /nfs/dbraw/zinc/27/57/31/1037275731.db2.gz BOTMOWMSFUPYPK-PZJWPPBQSA-N 1 0 385.552 3.949 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)N(C)C)C2)C1 ZINC001278442006 1037283384 /nfs/dbraw/zinc/28/33/84/1037283384.db2.gz MSLDFAWENWYTEP-FQEVSTJZSA-N 1 0 387.634 3.721 20 30 GHEDRO CCCCCCCCC[NH+]1CCC2(CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC001278442349 1037286612 /nfs/dbraw/zinc/28/66/12/1037286612.db2.gz RWQOVYOMMKSKPY-UHFFFAOYSA-N 1 0 387.634 3.721 20 30 GHEDRO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246864343 1037682433 /nfs/dbraw/zinc/68/24/33/1037682433.db2.gz ONWAKKNPKWXPDH-UGKGYDQZSA-N 1 0 396.485 3.760 20 30 GHEDRO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246889476 1037705079 /nfs/dbraw/zinc/70/50/79/1037705079.db2.gz FALAOYMGVQJHAW-GGAORHGYSA-N 1 0 378.495 3.621 20 30 GHEDRO C[C@H](c1ccccc1)N(C1=CC(=O)CCC1)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246988396 1037811788 /nfs/dbraw/zinc/81/17/88/1037811788.db2.gz JIURUNOQAZCBBE-PBEJRMEISA-N 1 0 384.520 3.759 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnc(SC)cc3C)C2)C1 ZINC001232341793 1038119391 /nfs/dbraw/zinc/11/93/91/1038119391.db2.gz GBLBGWQUOJUGNM-FQEVSTJZSA-N 1 0 375.538 3.722 20 30 GHEDRO N#Cc1ccnc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)c1 ZINC001232475172 1038258880 /nfs/dbraw/zinc/25/88/80/1038258880.db2.gz GTJXQQXKKIGEQG-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO C=CCC[C@H](N)c1nc(-c2cc(I)ccc2Cl)no1 ZINC001247621843 1038278991 /nfs/dbraw/zinc/27/89/91/1038278991.db2.gz AHJUTMCZEZEOEM-NSHDSACASA-N 1 0 389.624 3.961 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc(Br)c(C)s1)CC2 ZINC001277679512 1038309950 /nfs/dbraw/zinc/30/99/50/1038309950.db2.gz KZRJVGOQJMMZLI-UHFFFAOYSA-N 1 0 395.366 3.657 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000466005040 1038353583 /nfs/dbraw/zinc/35/35/83/1038353583.db2.gz SUVGRATYCHRHRF-HXUWFJFHSA-N 1 0 392.503 3.937 20 30 GHEDRO CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CCN(CCCC#N)C2=O)C1 ZINC001277688328 1038388604 /nfs/dbraw/zinc/38/86/04/1038388604.db2.gz JHUDLGGTWSPGMF-LJQANCHMSA-N 1 0 377.941 3.790 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@H]4COC5(C4)CC[NH2+]CC5)n3)cc2)cc1 ZINC001247843654 1038419158 /nfs/dbraw/zinc/41/91/58/1038419158.db2.gz HORUAWFGWLOIIS-HXUWFJFHSA-N 1 0 386.455 3.901 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3CC[C@]4(C3)C[NH2+]CCO4)n2)cc1Cl ZINC001247916021 1038490905 /nfs/dbraw/zinc/49/09/05/1038490905.db2.gz HWTIXAMAAXFGMX-BTDLBPIBSA-N 1 0 379.247 3.541 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cccc5ncsc54)C3)CC2=O)c1 ZINC001232733039 1038524043 /nfs/dbraw/zinc/52/40/43/1038524043.db2.gz HYYDGXMUFLYLMY-JOCHJYFZSA-N 1 0 388.496 3.797 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)s1 ZINC001232843468 1038595085 /nfs/dbraw/zinc/59/50/85/1038595085.db2.gz OOGBLASTJXQLQT-QGZVFWFLSA-N 1 0 383.517 3.712 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)s1 ZINC001232843297 1038595370 /nfs/dbraw/zinc/59/53/70/1038595370.db2.gz VJOOQEHEJIBBFZ-KNQAVFIVSA-N 1 0 385.577 3.580 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)n1 ZINC001232924996 1038713546 /nfs/dbraw/zinc/71/35/46/1038713546.db2.gz ISQPXSKDLLPDRP-UHFFFAOYSA-N 1 0 398.510 3.506 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c(C#N)c1 ZINC001232965874 1038740089 /nfs/dbraw/zinc/74/00/89/1038740089.db2.gz IABXSQYINYIZTQ-BJKOFHAPSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1ccc(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c(C#N)c1 ZINC001232969086 1038742871 /nfs/dbraw/zinc/74/28/71/1038742871.db2.gz XTBGRASTZFQQOB-INIZCTEOSA-N 1 0 376.382 3.719 20 30 GHEDRO Cc1cc(C)c(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)cn1 ZINC001233007688 1038767606 /nfs/dbraw/zinc/76/76/06/1038767606.db2.gz YUCTVBIJYWBIPY-XMMPIXPASA-N 1 0 390.531 3.689 20 30 GHEDRO COC[C@@H]1CN(Cc2ccc(C#N)cc2C)Cc2cn(CC3CCCC3)nc21 ZINC001233079546 1038844765 /nfs/dbraw/zinc/84/47/65/1038844765.db2.gz HEMAUBRDUAGMNW-QFIPXVFZSA-N 1 0 378.520 3.999 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001233081386 1038850846 /nfs/dbraw/zinc/85/08/46/1038850846.db2.gz WYMHZVQMJYBSQQ-BJKOFHAPSA-N 1 0 391.515 3.850 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC001252126918 1038875965 /nfs/dbraw/zinc/87/59/65/1038875965.db2.gz UUOAGDQUDHCSJJ-CTNGQTDRSA-N 1 0 377.573 3.870 20 30 GHEDRO CCCCCCCC[C@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(OC)c1 ZINC001252131003 1038882638 /nfs/dbraw/zinc/88/26/38/1038882638.db2.gz DCFJMGUUWMXRGO-FQEVSTJZSA-N 1 0 377.573 3.970 20 30 GHEDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1ccc(N(C)C)c(C#N)c1F)CC2 ZINC001233103125 1038885484 /nfs/dbraw/zinc/88/54/84/1038885484.db2.gz XJIOUUPAMOXAKW-KRWDZBQOSA-N 1 0 387.499 3.709 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001252138749 1038889585 /nfs/dbraw/zinc/88/95/85/1038889585.db2.gz FUYUPFNZRWYFKX-NRFANRHFSA-N 1 0 396.597 3.818 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C1(Cc2ccccc2)CCS(=O)(=O)CC1 ZINC001252139213 1038890081 /nfs/dbraw/zinc/89/00/81/1038890081.db2.gz LCZLYFBFSABWGK-NRFANRHFSA-N 1 0 395.609 3.878 20 30 GHEDRO C[C@H]1CC[C@H]([N@H+](C)C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001252327428 1038943487 /nfs/dbraw/zinc/94/34/87/1038943487.db2.gz IQDSNCOQROLEQG-AXHNFQJDSA-N 1 0 397.441 3.777 20 30 GHEDRO C[C@@](O)(C[NH2+][C@@H]1CCCCC1(C)C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252338810 1038946353 /nfs/dbraw/zinc/94/63/53/1038946353.db2.gz PFVJBZXWWGOSSZ-VQIMIIECSA-N 1 0 397.441 3.825 20 30 GHEDRO C[C@](O)(C[NH2+]C[C@@H]1CCC(C)(C)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339245 1038946457 /nfs/dbraw/zinc/94/64/57/1038946457.db2.gz YNKSYRHSPBIXHF-YJYMSZOUSA-N 1 0 397.441 3.682 20 30 GHEDRO Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCC#N)CC2)c1Cl ZINC001277774115 1038951564 /nfs/dbraw/zinc/95/15/64/1038951564.db2.gz FPRSESRRUPYVSY-QGZVFWFLSA-N 1 0 377.891 3.810 20 30 GHEDRO N#Cc1ccccc1OCCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252399846 1038981523 /nfs/dbraw/zinc/98/15/23/1038981523.db2.gz YLQOORIPDNAGCM-FQEVSTJZSA-N 1 0 376.456 3.510 20 30 GHEDRO C[C@H]1CCc2nc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)sc2C1 ZINC001252503561 1039010315 /nfs/dbraw/zinc/01/03/15/1039010315.db2.gz QYHNZGNSUTZJHI-HNNXBMFYSA-N 1 0 397.548 3.735 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001252548132 1039028136 /nfs/dbraw/zinc/02/81/36/1039028136.db2.gz AOMRZQVSRLAGEN-JPYJTQIMSA-N 1 0 382.548 3.503 20 30 GHEDRO C=C[C@](C)(O)C[N@@H+]1Cc2ccccc2C2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001252558842 1039031401 /nfs/dbraw/zinc/03/14/01/1039031401.db2.gz JERNSJWUPDGFTC-QFIPXVFZSA-N 1 0 386.536 3.708 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001252599751 1039042469 /nfs/dbraw/zinc/04/24/69/1039042469.db2.gz IBFPUBONIAOIQQ-JOCHJYFZSA-N 1 0 386.486 3.999 20 30 GHEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2nsc(NC(C)=O)c2-c2ccccc2)C1 ZINC001252604204 1039044169 /nfs/dbraw/zinc/04/41/69/1039044169.db2.gz OYXRKTZIULVPCZ-ROUUACIJSA-N 1 0 385.533 3.885 20 30 GHEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001252603716 1039044490 /nfs/dbraw/zinc/04/44/90/1039044490.db2.gz FOOSFAFSJATUBB-VQTJNVASSA-N 1 0 389.540 3.610 20 30 GHEDRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2cc1C ZINC001252678503 1039075935 /nfs/dbraw/zinc/07/59/35/1039075935.db2.gz KYMAZPFBDMZWKZ-MQSCRBSSSA-N 1 0 388.515 3.786 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC001252766330 1039158997 /nfs/dbraw/zinc/15/89/97/1039158997.db2.gz BOGRLWPFNYSCGX-HXUWFJFHSA-N 1 0 382.504 3.654 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001252970574 1039304940 /nfs/dbraw/zinc/30/49/40/1039304940.db2.gz JOXVOHAHTNBIQS-DHIUTWEWSA-N 1 0 398.595 3.581 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c[nH]c(Br)c3)C2)CC1 ZINC001233434543 1039311151 /nfs/dbraw/zinc/31/11/51/1039311151.db2.gz STRLZSIOTGOKHC-UHFFFAOYSA-N 1 0 396.329 3.778 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC(OCC(=O)NC2CC2)CC1 ZINC001252985039 1039312708 /nfs/dbraw/zinc/31/27/08/1039312708.db2.gz LIDUZLRUSHLKRX-HXUWFJFHSA-N 1 0 382.589 3.638 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001252986340 1039313700 /nfs/dbraw/zinc/31/37/00/1039313700.db2.gz UURABKBBQNNFPE-OAQYLSRUSA-N 1 0 382.589 3.591 20 30 GHEDRO CCCC[C@H](CC)COC[C@H](O)C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001253008303 1039336824 /nfs/dbraw/zinc/33/68/24/1039336824.db2.gz XEKYWXYOFWIXIE-PZJWPPBQSA-N 1 0 388.552 3.995 20 30 GHEDRO N#CC1(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CCCCC1 ZINC001253169985 1039462189 /nfs/dbraw/zinc/46/21/89/1039462189.db2.gz WMFGKYJVAJUVBV-UHFFFAOYSA-N 1 0 382.552 3.811 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2nc(C(=O)OCC)sc2CC1 ZINC001253235169 1039489824 /nfs/dbraw/zinc/48/98/24/1039489824.db2.gz IHBDXAFGFVBMGD-INIZCTEOSA-N 1 0 380.554 3.608 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001253236464 1039491947 /nfs/dbraw/zinc/49/19/47/1039491947.db2.gz DBNWKJHEDYXPMM-ILWGZMRPSA-N 1 0 388.527 3.860 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001253237755 1039492984 /nfs/dbraw/zinc/49/29/84/1039492984.db2.gz MORLNOGGXCPYIZ-YPAWHYETSA-N 1 0 385.552 3.534 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2=O)CC1 ZINC001253237389 1039493073 /nfs/dbraw/zinc/49/30/73/1039493073.db2.gz YJYKHBKTTCDUII-JOCHJYFZSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@@H]1CC ZINC001253237073 1039493403 /nfs/dbraw/zinc/49/34/03/1039493403.db2.gz IJLJEJNWMVHLDJ-FUDKSRODSA-N 1 0 394.600 3.756 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)C(C)C)O2 ZINC001253238656 1039494541 /nfs/dbraw/zinc/49/45/41/1039494541.db2.gz GYBSFLQKFPVNPP-QNWVGRARSA-N 1 0 394.600 3.660 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC001253238639 1039495142 /nfs/dbraw/zinc/49/51/42/1039495142.db2.gz SSTQCKFKQMWVNJ-ADHNFCLRSA-N 1 0 390.568 3.831 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001253238870 1039496978 /nfs/dbraw/zinc/49/69/78/1039496978.db2.gz IITVYYDNSOVNTN-UNMCSNQZSA-N 1 0 398.551 3.676 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001253241652 1039498169 /nfs/dbraw/zinc/49/81/69/1039498169.db2.gz YPSREBMVJZWYKC-IRXDYDNUSA-N 1 0 398.345 3.580 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001253241383 1039498685 /nfs/dbraw/zinc/49/86/85/1039498685.db2.gz VRFLFDMVJNPQDY-QGZVFWFLSA-N 1 0 386.462 3.505 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001253242914 1039500323 /nfs/dbraw/zinc/50/03/23/1039500323.db2.gz QPUBQLHZLAPMMX-NRFANRHFSA-N 1 0 376.516 3.907 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCSCc1csc(CN(C)C)n1 ZINC001253250340 1039503179 /nfs/dbraw/zinc/50/31/79/1039503179.db2.gz XMGBJKAGBGLWRN-GOSISDBHSA-N 1 0 385.643 3.915 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233745868 1039585480 /nfs/dbraw/zinc/58/54/80/1039585480.db2.gz QROAXOIPWGVCSK-LJQANCHMSA-N 1 0 398.425 3.824 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4cccc(C#N)c4)cc3)C[C@H]1[N@@H+]2C ZINC001233861932 1039669599 /nfs/dbraw/zinc/66/95/99/1039669599.db2.gz ZFGJYSBEYLLSKC-SNJCGAMXSA-N 1 0 376.456 3.771 20 30 GHEDRO C=C[C@H](O)C[N@H+]1CC[C@H]2[C@H](C1)c1cc(Cl)ccc1N2C(=O)OC(C)(C)C ZINC001253590530 1039712394 /nfs/dbraw/zinc/71/23/94/1039712394.db2.gz VRLXTSFFSIUKLH-LESCRADOSA-N 1 0 378.900 3.800 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2nc(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)sc2C1 ZINC001233941775 1039716610 /nfs/dbraw/zinc/71/66/10/1039716610.db2.gz SLMYHAKWQQYVHO-QKDCVEJESA-N 1 0 388.537 3.703 20 30 GHEDRO C=C[C@H](O)C[NH2+]CC1(c2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608586 1039719543 /nfs/dbraw/zinc/71/95/43/1039719543.db2.gz CTNPZDLGSAZZLP-INIZCTEOSA-N 1 0 394.943 3.745 20 30 GHEDRO C=C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608488 1039719914 /nfs/dbraw/zinc/71/99/14/1039719914.db2.gz CCZVARXTFOJRMM-KRWDZBQOSA-N 1 0 380.916 3.703 20 30 GHEDRO C=C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608490 1039720446 /nfs/dbraw/zinc/72/04/46/1039720446.db2.gz CCZVARXTFOJRMM-QGZVFWFLSA-N 1 0 380.916 3.703 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001253613470 1039722204 /nfs/dbraw/zinc/72/22/04/1039722204.db2.gz AKUQFDLDKVDESW-QFIPXVFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC2(C1)C[NH+](C)C2 ZINC001253614886 1039724622 /nfs/dbraw/zinc/72/46/22/1039724622.db2.gz WXUCUTFOUBJAIN-JOCHJYFZSA-N 1 0 398.632 3.549 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC001253616855 1039729345 /nfs/dbraw/zinc/72/93/45/1039729345.db2.gz JJJXAEYHXZWDSD-YADHBBJMSA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C1(CO)CCC1 ZINC001253617704 1039729789 /nfs/dbraw/zinc/72/97/89/1039729789.db2.gz XMEDCXOSBLNCAP-OAQYLSRUSA-N 1 0 387.605 3.806 20 30 GHEDRO CCc1cccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1O ZINC001462412087 1070235970 /nfs/dbraw/zinc/23/59/70/1070235970.db2.gz HGZWWVSQOASVKI-UHFFFAOYSA-N 1 0 387.487 3.539 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)(F)F ZINC001277840849 1039933095 /nfs/dbraw/zinc/93/30/95/1039933095.db2.gz LKNJQJWTIUWABP-BRWVUGGUSA-N 1 0 376.463 3.502 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1=O ZINC001254245523 1040097000 /nfs/dbraw/zinc/09/70/00/1040097000.db2.gz IKOJROYAIOHLCL-AWEZNQCLSA-N 1 0 397.397 3.593 20 30 GHEDRO Cn1cc(C[NH2+]CCc2coc(-c3ccccc3)n2)c(-c2ccc(C#N)cc2)n1 ZINC001254271666 1040117584 /nfs/dbraw/zinc/11/75/84/1040117584.db2.gz CMQZCHPSPKWZJN-UHFFFAOYSA-N 1 0 383.455 3.946 20 30 GHEDRO CCOC[C@H]1Cn2nccc2C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254355864 1040188357 /nfs/dbraw/zinc/18/83/57/1040188357.db2.gz XQUXAKUSBBBFTI-FBHNJWQJSA-N 1 0 396.510 3.895 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)CC1 ZINC001254357341 1040190036 /nfs/dbraw/zinc/19/00/36/1040190036.db2.gz ATWFNEQJHFUXDH-KQLYSKAOSA-N 1 0 395.522 3.766 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC001254612969 1040384613 /nfs/dbraw/zinc/38/46/13/1040384613.db2.gz RLBCAOOTXCAAIM-UHFFFAOYSA-N 1 0 392.522 3.920 20 30 GHEDRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254659626 1040422987 /nfs/dbraw/zinc/42/29/87/1040422987.db2.gz RGAWMTXVLCEZDY-FPOVZHCZSA-N 1 0 389.547 3.869 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)C1 ZINC001254664621 1040427134 /nfs/dbraw/zinc/42/71/34/1040427134.db2.gz IVYJZBKKMMXZMU-OALUTQOASA-N 1 0 375.516 3.732 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(OCC)OCC)cc2)C1 ZINC001234925833 1040433839 /nfs/dbraw/zinc/43/38/39/1040433839.db2.gz WJZVYKOOOYBBIJ-LJQANCHMSA-N 1 0 376.497 3.635 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001235020249 1040511172 /nfs/dbraw/zinc/51/11/72/1040511172.db2.gz RFFSWTKXKLQXRK-UHFFFAOYSA-N 1 0 381.907 3.857 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254789889 1040550879 /nfs/dbraw/zinc/55/08/79/1040550879.db2.gz NZFLRKUNJKMXBI-UHFFFAOYSA-N 1 0 393.572 3.618 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(F)c(OC)c1)[C@@H]2CC ZINC001235436316 1040936461 /nfs/dbraw/zinc/93/64/61/1040936461.db2.gz ICADEFWYZHCQHD-NQIIRXRSSA-N 1 0 378.463 3.895 20 30 GHEDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001255355141 1040959514 /nfs/dbraw/zinc/95/95/14/1040959514.db2.gz YUAMQKMZFFOBIY-QFIXIFRTSA-N 1 0 395.503 3.816 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCC[NH2+]C3CCCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001235497841 1040961746 /nfs/dbraw/zinc/96/17/46/1040961746.db2.gz MNPRPWQETGGAIH-NOZRDPDXSA-N 1 0 395.591 3.803 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3ccccc3CC#N)C2)C1 ZINC001235514312 1040970578 /nfs/dbraw/zinc/97/05/78/1040970578.db2.gz LEQWBECPLLCBJU-KNQAVFIVSA-N 1 0 387.499 3.924 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001235517547 1040972750 /nfs/dbraw/zinc/97/27/50/1040972750.db2.gz LDVIEBPDCPVCJZ-JTHBVZDNSA-N 1 0 377.488 3.598 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)ccc(C)c3Br)C2)C1=O ZINC001235761762 1041251376 /nfs/dbraw/zinc/25/13/76/1041251376.db2.gz ZHHJIUHHCUOPPF-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO CC(C)N(C(=O)c1ccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)cc1)C(C)C ZINC001235923406 1041431492 /nfs/dbraw/zinc/43/14/92/1041431492.db2.gz OFIZBGFGXDYQHX-UHFFFAOYSA-N 1 0 376.504 3.915 20 30 GHEDRO COc1cc(N2CCC([N@@H+]3CCc4cc(C#N)ccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256094400 1041523672 /nfs/dbraw/zinc/52/36/72/1041523672.db2.gz ZIVCPQVMWBSXPW-UHFFFAOYSA-N 1 0 392.459 3.502 20 30 GHEDRO CC1(C)N[C@@H](CC[N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CO1 ZINC001236158281 1041580521 /nfs/dbraw/zinc/58/05/21/1041580521.db2.gz NYIJBABKSZIWLY-PKTZIBPZSA-N 1 0 389.543 3.933 20 30 GHEDRO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](N)C(=O)OC)C2)cc1 ZINC001236273277 1041649167 /nfs/dbraw/zinc/64/91/67/1041649167.db2.gz CYCFEAYORZNMFN-PZJWPPBQSA-N 1 0 376.541 3.748 20 30 GHEDRO COc1ccc(C[C@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001256233667 1041668861 /nfs/dbraw/zinc/66/88/61/1041668861.db2.gz XGDGYUITMWXYRL-JTSKRJEESA-N 1 0 377.488 3.625 20 30 GHEDRO CN(C)c1ccc(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)c(F)c1C#N ZINC001236392056 1041697140 /nfs/dbraw/zinc/69/71/40/1041697140.db2.gz TWSCPGJVYDQHLB-IBGZPJMESA-N 1 0 384.474 3.657 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccc(Br)c1C)CC2 ZINC001236607095 1041778482 /nfs/dbraw/zinc/77/84/82/1041778482.db2.gz GLTAHTTXGRGAAD-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(C)cc(OC)cc3O)C2)CC1 ZINC001236818300 1041915176 /nfs/dbraw/zinc/91/51/76/1041915176.db2.gz LPFZSPLNQQBQMG-UHFFFAOYSA-N 1 0 388.508 3.710 20 30 GHEDRO CCOC(=O)CCC1CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236864488 1041933481 /nfs/dbraw/zinc/93/34/81/1041933481.db2.gz UAGYMXGPFMDTHA-UHFFFAOYSA-N 1 0 379.298 3.876 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-n4cccn4)c(Cl)c3)CC2)nc1 ZINC001236901223 1041946023 /nfs/dbraw/zinc/94/60/23/1041946023.db2.gz OLRURYUNSMBRSE-UHFFFAOYSA-N 1 0 392.894 3.505 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1ccc(-c3ccccc3F)nc1)CC2 ZINC001236988328 1041979129 /nfs/dbraw/zinc/97/91/29/1041979129.db2.gz HEURRZBAVIYNAZ-UHFFFAOYSA-N 1 0 392.478 3.882 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237111492 1042044344 /nfs/dbraw/zinc/04/43/44/1042044344.db2.gz PQKGYHBPJLCEFL-RDTXWAMCSA-N 1 0 387.398 3.617 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](CC4OC=CC4=S)C3)C2)c1 ZINC001237177647 1042080067 /nfs/dbraw/zinc/08/00/67/1042080067.db2.gz DPGURSPEHTWUNL-OAQYLSRUSA-N 1 0 383.517 3.559 20 30 GHEDRO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)ccc2[nH]1 ZINC001237314339 1042142201 /nfs/dbraw/zinc/14/22/01/1042142201.db2.gz RNRVWVPIDMXGNA-HXUWFJFHSA-N 1 0 389.455 3.870 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001237363318 1042171006 /nfs/dbraw/zinc/17/10/06/1042171006.db2.gz JROWVVWBGCAXBA-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3n[nH]c4cc(OC)ccc34)C2)CC1 ZINC001237385245 1042182630 /nfs/dbraw/zinc/18/26/30/1042182630.db2.gz IHCYJURBHIDRIA-UHFFFAOYSA-N 1 0 398.507 3.572 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccccc3NC(C)=O)CC2)C1 ZINC001237402905 1042193042 /nfs/dbraw/zinc/19/30/42/1042193042.db2.gz AHTLEKPJXHBNIQ-UHFFFAOYSA-N 1 0 385.508 3.646 20 30 GHEDRO Cn1cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c2cc(C#N)ccc21 ZINC001237468030 1042220627 /nfs/dbraw/zinc/22/06/27/1042220627.db2.gz KBTOTCIYHZEQNE-UHFFFAOYSA-N 1 0 382.508 3.881 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)C2 ZINC001237468223 1042221096 /nfs/dbraw/zinc/22/10/96/1042221096.db2.gz XXFLTBRGTCANMM-GOTSBHOMSA-N 1 0 379.504 3.624 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CCCN(Cc1cc(C#N)c(F)cc1F)C2 ZINC001237535292 1042254755 /nfs/dbraw/zinc/25/47/55/1042254755.db2.gz VEHZXXGAKZYAGH-UHFFFAOYSA-N 1 0 377.435 3.669 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cn2cc(C#N)ccc2n1 ZINC001237616707 1042282756 /nfs/dbraw/zinc/28/27/56/1042282756.db2.gz GEVPHODKDCSQBA-NEWSRXKRSA-N 1 0 380.492 3.681 20 30 GHEDRO N#Cc1ccc2nc(C[N@H+]3C[C@H]4c5ccccc5[C@@H](OCC5CC5)[C@H]4C3)cn2c1 ZINC001237615332 1042283289 /nfs/dbraw/zinc/28/32/89/1042283289.db2.gz VTVXGGCGUFBIGC-WPFOTENUSA-N 1 0 384.483 3.903 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001237751282 1042353804 /nfs/dbraw/zinc/35/38/04/1042353804.db2.gz UEXHFZNEVWIYRV-JOCHJYFZSA-N 1 0 394.906 3.764 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3[nH]c(-c4ccc[nH]4)cc3OC)C2)C1 ZINC001237874538 1042404175 /nfs/dbraw/zinc/40/41/75/1042404175.db2.gz WPHXRKUPRJXMSW-JOCHJYFZSA-N 1 0 398.507 3.629 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(OC)ncc1Cl)CC2 ZINC001238361940 1042569923 /nfs/dbraw/zinc/56/99/23/1042569923.db2.gz RYSDTTARGXSSBS-UHFFFAOYSA-N 1 0 393.915 3.744 20 30 GHEDRO CC[C@H]1[N@H+](Cc2ccc(C#N)c(OC)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001238406364 1042586415 /nfs/dbraw/zinc/58/64/15/1042586415.db2.gz NNXJKHAROOKPHY-GGAORHGYSA-N 1 0 381.520 3.712 20 30 GHEDRO COC(=O)c1ccc(CC2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC001238417291 1042589244 /nfs/dbraw/zinc/58/92/44/1042589244.db2.gz PYZMLSHMDFVLDY-UHFFFAOYSA-N 1 0 378.472 3.808 20 30 GHEDRO CCCCCCCCS(=O)(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001238681829 1042682208 /nfs/dbraw/zinc/68/22/08/1042682208.db2.gz QQYWTGHALWPWKZ-MRXNPFEDSA-N 1 0 391.375 3.729 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN(Cc2cccc(OCC)c2Br)C1 ZINC001238689623 1042685593 /nfs/dbraw/zinc/68/55/93/1042685593.db2.gz JOAGSZFSMPEUKC-HNNXBMFYSA-N 1 0 397.313 3.724 20 30 GHEDRO CCc1cc(C[N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)ccc1C#N ZINC001238762872 1042718706 /nfs/dbraw/zinc/71/87/06/1042718706.db2.gz OFLAYWGCEKUGQK-VSKRKVRLSA-N 1 0 397.544 3.834 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccnc1OCc1ccccc1)C2 ZINC001238772831 1042722347 /nfs/dbraw/zinc/72/23/47/1042722347.db2.gz JZQNSNQQZQSQEF-ISKFKSNPSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCN1CCN(Cc2cc(F)c(Br)cc2Br)CC1 ZINC001238797140 1042732353 /nfs/dbraw/zinc/73/23/53/1042732353.db2.gz XSZABAFPVAEZOS-UHFFFAOYSA-N 1 0 392.110 3.654 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1(Cc2ccc(OC)cc2)CC[NH2+]CC1 ZINC001238812370 1042737043 /nfs/dbraw/zinc/73/70/43/1042737043.db2.gz REUATYVZDGWTFN-UHFFFAOYSA-N 1 0 396.597 3.640 20 30 GHEDRO N#Cc1c(NC(=O)NCc2ccc(C(F)(F)F)cc2)sc2c1CC[NH2+]C2 ZINC001239181343 1042781181 /nfs/dbraw/zinc/78/11/81/1042781181.db2.gz FHAYYVYUHBCRBL-UHFFFAOYSA-N 1 0 380.395 3.606 20 30 GHEDRO N#Cc1ccc(NC(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(F)(F)F)c2)cc1 ZINC001239188133 1042782360 /nfs/dbraw/zinc/78/23/60/1042782360.db2.gz FCHMIFRJMFNUTM-UHFFFAOYSA-N 1 0 389.381 3.631 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001239223573 1042789513 /nfs/dbraw/zinc/78/95/13/1042789513.db2.gz OTBRYVLTNVVKFQ-LBPRGKRZSA-N 1 0 387.299 3.897 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCC2(c3cccnc3)CC[NH2+]CC2)c1 ZINC001239247375 1042796634 /nfs/dbraw/zinc/79/66/34/1042796634.db2.gz YOIXQEFIXUVRQH-UHFFFAOYSA-N 1 0 392.547 3.970 20 30 GHEDRO FC(F)(F)c1cc(NC(=S)NC[C@]2(F)CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001239363676 1042813686 /nfs/dbraw/zinc/81/36/86/1042813686.db2.gz RHPOAFLAZIAPMN-LBPRGKRZSA-N 1 0 389.340 3.712 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(C#N)c(F)c2)nc2ccccc21 ZINC001240142684 1042896773 /nfs/dbraw/zinc/89/67/73/1042896773.db2.gz DEIBHPUHOTXBPW-UHFFFAOYSA-N 1 0 390.462 3.984 20 30 GHEDRO N#CCCN(C(=O)c1ccc(-c2ccc3c(c2)CC[NH2+]C3)nc1)c1ccccc1 ZINC001240453794 1042931568 /nfs/dbraw/zinc/93/15/68/1042931568.db2.gz IVNTXSVQTVPXDU-UHFFFAOYSA-N 1 0 382.467 3.955 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106762 1043081046 /nfs/dbraw/zinc/08/10/46/1043081046.db2.gz AIELQDUDRDDTQK-MSOLQXFVSA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@H](Cn1c(C2CC2)nnc1N(C)Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105613 1043081876 /nfs/dbraw/zinc/08/18/76/1043081876.db2.gz LHFVSCUDXIOTMJ-QZTJIDSGSA-N 1 0 392.551 3.784 20 30 GHEDRO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C[NH+](C)C ZINC001291154368 1043113659 /nfs/dbraw/zinc/11/36/59/1043113659.db2.gz YAGFEFBYXPCJST-DLBZAZTESA-N 1 0 380.540 3.639 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001291428870 1043248149 /nfs/dbraw/zinc/24/81/49/1043248149.db2.gz DKKFXGIOAGPHBN-ZWKOTPCHSA-N 1 0 380.540 3.588 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCC1 ZINC001291442092 1043258962 /nfs/dbraw/zinc/25/89/62/1043258962.db2.gz XWDJWJQJMSKBAS-QGZVFWFLSA-N 1 0 380.540 3.784 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001291489082 1043300614 /nfs/dbraw/zinc/30/06/14/1043300614.db2.gz XZMLTERZEULFEG-PKOBYXMFSA-N 1 0 384.572 3.939 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1 ZINC001291763998 1043448569 /nfs/dbraw/zinc/44/85/69/1043448569.db2.gz AACSVRKFNPHURK-ZWKOTPCHSA-N 1 0 380.540 3.783 20 30 GHEDRO COc1ccccc1Nc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC001292113922 1043598264 /nfs/dbraw/zinc/59/82/64/1043598264.db2.gz MMUOTLVBAHCREP-UHFFFAOYSA-N 1 0 380.492 3.746 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1 ZINC001256674967 1043615232 /nfs/dbraw/zinc/61/52/32/1043615232.db2.gz AYXQPOKJOYNEMF-WWDZGPRUSA-N 1 0 395.544 3.541 20 30 GHEDRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001292322703 1043683260 /nfs/dbraw/zinc/68/32/60/1043683260.db2.gz KBMXMRUCKLZNQK-MBSDFSHPSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001292322704 1043683301 /nfs/dbraw/zinc/68/33/01/1043683301.db2.gz KBMXMRUCKLZNQK-WZONZLPQSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H](C(F)(F)F)C1 ZINC001256959472 1043773752 /nfs/dbraw/zinc/77/37/52/1043773752.db2.gz FXJROCDBXMUJRM-WUCCLRPBSA-N 1 0 375.435 3.846 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)C(C)C ZINC001292957320 1043964375 /nfs/dbraw/zinc/96/43/75/1043964375.db2.gz FXDQPOHYOJGRRY-FQEVSTJZSA-N 1 0 395.503 3.705 20 30 GHEDRO CCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001293023263 1043989913 /nfs/dbraw/zinc/98/99/13/1043989913.db2.gz UJTHWIYFCZNQRZ-UGKGYDQZSA-N 1 0 380.540 3.582 20 30 GHEDRO [NH2+]=C(NC1CCC(C2CCC3(CC2)OCCO3)CC1)c1ccc(Cl)cn1 ZINC001257490968 1044017156 /nfs/dbraw/zinc/01/71/56/1044017156.db2.gz RWKKBHBUQQHVBL-UHFFFAOYSA-N 1 0 377.916 3.932 20 30 GHEDRO CCCCCCCCCC[C@@H](C)[N@@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001257550763 1044036634 /nfs/dbraw/zinc/03/66/34/1044036634.db2.gz TYZFTJBBDZOAHO-IRLDBZIGSA-N 1 0 382.589 3.855 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257582394 1044067424 /nfs/dbraw/zinc/06/74/24/1044067424.db2.gz ACCHKZAAESYDIF-OPVJXMOQSA-N 1 0 398.551 3.857 20 30 GHEDRO C=C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OCC)C1)c1ccccc1 ZINC001257613657 1044086270 /nfs/dbraw/zinc/08/62/70/1044086270.db2.gz NUUHVNVNZSGKOQ-QRVBRYPASA-N 1 0 388.508 3.835 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001293423731 1044169197 /nfs/dbraw/zinc/16/91/97/1044169197.db2.gz DWQFTNILBJWTKY-FQEVSTJZSA-N 1 0 378.524 3.681 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001293428084 1044173005 /nfs/dbraw/zinc/17/30/05/1044173005.db2.gz XYSPVEPOFDCUCB-AZUAARDMSA-N 1 0 378.524 3.537 20 30 GHEDRO C=C1C[C@@H]2CC(N3CC[N@@H+]4C[C@@H](OCc5cccc(C)n5)C[C@H]4C3)C[C@H](C1)C2 ZINC001257890960 1044246230 /nfs/dbraw/zinc/24/62/30/1044246230.db2.gz CMPMTOCBWBDJLV-LBCARWLRSA-N 1 0 381.564 3.800 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCO[C@@]4(CCCN(C(=O)c5ccco5)C4)C3)C[C@H](C1)C2 ZINC001257893687 1044248880 /nfs/dbraw/zinc/24/88/80/1044248880.db2.gz XSIOSMHKGKMEAO-SRDOODBNSA-N 1 0 384.520 3.722 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3COc4ccc(Cl)cc4C3)CC2)cc1 ZINC001257947468 1044266453 /nfs/dbraw/zinc/26/64/53/1044266453.db2.gz KHDHRYBOPLZGLR-NRFANRHFSA-N 1 0 381.907 3.769 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCC(CC(=O)OCC)CC1)C2 ZINC001258032132 1044357269 /nfs/dbraw/zinc/35/72/69/1044357269.db2.gz LWMQNVCEYGWMBE-PELUFGRGSA-N 1 0 379.541 3.572 20 30 GHEDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc(F)c(Cl)c(C#N)c3Cl)o2)C[C@@H](C)O1 ZINC001258146175 1044435100 /nfs/dbraw/zinc/43/51/00/1044435100.db2.gz MPVXHTBDSZXVHN-NXEZZACHSA-N 1 0 399.253 3.706 20 30 GHEDRO C[C@H]1C[C@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)C[C@@H](C)C1 ZINC001258159675 1044447252 /nfs/dbraw/zinc/44/72/52/1044447252.db2.gz MAENLLAQDHRTBI-WKHFQEMYSA-N 1 0 382.552 3.697 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+]([C@@H]2CCCC(C)(C)C2)CC1 ZINC001258290907 1044494696 /nfs/dbraw/zinc/49/46/96/1044494696.db2.gz ZERAUWXNDKJELQ-GOSISDBHSA-N 1 0 384.524 3.529 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258524094 1044603274 /nfs/dbraw/zinc/60/32/74/1044603274.db2.gz WGCOKVIQDZMQRK-JOCHJYFZSA-N 1 0 390.568 3.731 20 30 GHEDRO CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001294430440 1044625230 /nfs/dbraw/zinc/62/52/30/1044625230.db2.gz ZNHQOJILSKYIHF-ROUUACIJSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCC[C@H](C)[N@H+]1CCc2nc(C(=O)NCc3ccc(OC)cc3)sc2CC1 ZINC001258727760 1044734612 /nfs/dbraw/zinc/73/46/12/1044734612.db2.gz ILFMPEGAWLFFIM-INIZCTEOSA-N 1 0 399.560 3.837 20 30 GHEDRO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001295136063 1044927836 /nfs/dbraw/zinc/92/78/36/1044927836.db2.gz CKKCTGIMMQXAQY-FQEVSTJZSA-N 1 0 399.535 3.570 20 30 GHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 ZINC001295369820 1044991122 /nfs/dbraw/zinc/99/11/22/1044991122.db2.gz KOQVKZZRDAYPPR-HTAPYJJXSA-N 1 0 398.530 3.945 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCC2)C1 ZINC001295554211 1045050420 /nfs/dbraw/zinc/05/04/20/1045050420.db2.gz UKNXYBQYYCMSAU-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001297372995 1045505031 /nfs/dbraw/zinc/50/50/31/1045505031.db2.gz JXWOWAARUSRYDK-UHFFFAOYSA-N 1 0 384.442 3.874 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)[NH+](C)C)C1CCCCC1 ZINC001298023357 1045678362 /nfs/dbraw/zinc/67/83/62/1045678362.db2.gz CHEZACVUKRIECC-NRFANRHFSA-N 1 0 392.551 3.926 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC[NH+]1CCCCCC1 ZINC001298326899 1045774423 /nfs/dbraw/zinc/77/44/23/1045774423.db2.gz DQASILDLUXZJDX-UHFFFAOYSA-N 1 0 392.551 3.930 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC[NH+]1CCCCCC1 ZINC001298327552 1045774513 /nfs/dbraw/zinc/77/45/13/1045774513.db2.gz WKAIZFRVXLXAHF-UHFFFAOYSA-N 1 0 378.524 3.540 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC001298676701 1045915984 /nfs/dbraw/zinc/91/59/84/1045915984.db2.gz KRAUTVPLEILSBS-UHFFFAOYSA-N 1 0 379.529 3.751 20 30 GHEDRO Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492436890 1046160441 /nfs/dbraw/zinc/16/04/41/1046160441.db2.gz MCYADHDYFDYKFV-DLBZAZTESA-N 1 0 386.569 3.567 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@H]1CCCC[N@H+]1CC ZINC001300797660 1046166335 /nfs/dbraw/zinc/16/63/35/1046166335.db2.gz GJNDVZNCWACYRY-WZONZLPQSA-N 1 0 395.526 3.951 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[N@@H+](C)C1CCCC1 ZINC001300808989 1046178966 /nfs/dbraw/zinc/17/89/66/1046178966.db2.gz YZUGZJVZNHVAEK-JOCHJYFZSA-N 1 0 397.592 3.797 20 30 GHEDRO C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001300965475 1046264125 /nfs/dbraw/zinc/26/41/25/1046264125.db2.gz QMDMYRMNUSOWDQ-SFHVURJKSA-N 1 0 385.581 3.985 20 30 GHEDRO C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001300990127 1046277695 /nfs/dbraw/zinc/27/76/95/1046277695.db2.gz IHAPKUDCYHBLOT-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO C=C1CCN(c2nnc(C3CCC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001301085404 1046328114 /nfs/dbraw/zinc/32/81/14/1046328114.db2.gz JLRMLCSHWBWCCM-UHFFFAOYSA-N 1 0 383.515 3.973 20 30 GHEDRO C=CCCCCn1c(CC(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001301187691 1046392997 /nfs/dbraw/zinc/39/29/97/1046392997.db2.gz ALWJNFBDAMLFMX-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301231784 1046418546 /nfs/dbraw/zinc/41/85/46/1046418546.db2.gz PZCDFASGXDXKLS-UXHICEINSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001301277858 1046448217 /nfs/dbraw/zinc/44/82/17/1046448217.db2.gz AVZYKTJTAFFEAC-QGZVFWFLSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)[NH+](CC)CC ZINC001301290147 1046457579 /nfs/dbraw/zinc/45/75/79/1046457579.db2.gz YYMDOMKIEOPHIK-QGZVFWFLSA-N 1 0 394.523 3.953 20 30 GHEDRO C=CCN(c1nnc(C(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC001301312522 1046476259 /nfs/dbraw/zinc/47/62/59/1046476259.db2.gz FTWVMEGVDPLFQY-IAGOWNOFSA-N 1 0 389.588 3.618 20 30 GHEDRO C=CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC[N@H+]1CCC)C1CC1 ZINC001301329332 1046491960 /nfs/dbraw/zinc/49/19/60/1046491960.db2.gz CVSNBEOCGJZOOE-NRFANRHFSA-N 1 0 394.567 3.683 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)C[NH+](C)C)C1CC1 ZINC001301329634 1046492555 /nfs/dbraw/zinc/49/25/55/1046492555.db2.gz ACUQOKCHYGTSNU-UHFFFAOYSA-N 1 0 385.531 3.751 20 30 GHEDRO C=CCN(c1nnc(Cc2cccnc2)n1CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC001301330415 1046494221 /nfs/dbraw/zinc/49/42/21/1046494221.db2.gz ZUSYMIYXMMLSSH-UHFFFAOYSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC[N@@H+](C)C(C)C ZINC001301339010 1046501151 /nfs/dbraw/zinc/50/11/51/1046501151.db2.gz CFIKNCQOOXOGCU-UHFFFAOYSA-N 1 0 378.524 3.560 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301394040 1046524271 /nfs/dbraw/zinc/52/42/71/1046524271.db2.gz JHNVTPMASKQGBS-WOJBJXKFSA-N 1 0 394.567 3.563 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](C)C(C)C ZINC001301397630 1046526615 /nfs/dbraw/zinc/52/66/15/1046526615.db2.gz YQHAWDJVLJQIGT-RTBURBONSA-N 1 0 389.588 3.715 20 30 GHEDRO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001301438022 1046545794 /nfs/dbraw/zinc/54/57/94/1046545794.db2.gz GUNUICPTZIYZBV-SFHVURJKSA-N 1 0 397.567 3.586 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccc(F)c(C#N)c1N ZINC001301821639 1046721322 /nfs/dbraw/zinc/72/13/22/1046721322.db2.gz XIXRQMGDZPSTSS-HNNXBMFYSA-N 1 0 396.466 3.785 20 30 GHEDRO C=C(C)Cn1c(-c2nc[nH]c2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001263340373 1046724115 /nfs/dbraw/zinc/72/41/15/1046724115.db2.gz JOQVLWCHGNDOHO-HKUYNNGSSA-N 1 0 397.571 3.644 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)[C@H](C#N)c1cccc(F)n1 ZINC001263383230 1046767355 /nfs/dbraw/zinc/76/73/55/1046767355.db2.gz QRKHRPQOKMDBEY-FUHWJXTLSA-N 1 0 381.451 3.964 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001301968461 1046767356 /nfs/dbraw/zinc/76/73/56/1046767356.db2.gz MQDLQGLJKWJBTR-RBUKOAKNSA-N 1 0 396.583 3.983 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001301975293 1046772479 /nfs/dbraw/zinc/77/24/79/1046772479.db2.gz UCMIPQXEAOUJPS-RBUKOAKNSA-N 1 0 388.604 3.975 20 30 GHEDRO CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1)[NH+]1CCCC1 ZINC001302515636 1046960766 /nfs/dbraw/zinc/96/07/66/1046960766.db2.gz ZRKQMTBKEHOXQR-NRFANRHFSA-N 1 0 390.535 3.703 20 30 GHEDRO O=C(/C=C/c1ccc(F)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001302570595 1046982845 /nfs/dbraw/zinc/98/28/45/1046982845.db2.gz RQCGYIZQQQEZIZ-QGFLDLQWSA-N 1 0 380.463 3.579 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cn2)cc1 ZINC001302706871 1047054516 /nfs/dbraw/zinc/05/45/16/1047054516.db2.gz JQTLEDQNFLKPGO-UHFFFAOYSA-N 1 0 385.471 3.651 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001302839491 1047133299 /nfs/dbraw/zinc/13/32/99/1047133299.db2.gz CZFISPQALZTOQP-MSOLQXFVSA-N 1 0 384.528 3.503 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001303263528 1047329250 /nfs/dbraw/zinc/32/92/50/1047329250.db2.gz PEENXBMGDCVJLQ-PZJWPPBQSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC=CCC2)C1 ZINC001303302505 1047349240 /nfs/dbraw/zinc/34/92/40/1047349240.db2.gz KKSDFCBGEWCIOK-FQEVSTJZSA-N 1 0 390.535 3.703 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC001264613716 1047389658 /nfs/dbraw/zinc/38/96/58/1047389658.db2.gz UZXVFPVXQWGDMB-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO C[C@H](CCn1c(-c2ccccc2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCCC1 ZINC001303665495 1047472055 /nfs/dbraw/zinc/47/20/55/1047472055.db2.gz UOCFIDRUZWYKLD-RBUKOAKNSA-N 1 0 380.540 3.948 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611403525 1047506742 /nfs/dbraw/zinc/50/67/42/1047506742.db2.gz QLWJNCXZICDRQA-NOXOBXMSSA-N 1 0 386.496 3.955 20 30 GHEDRO Cc1nnc(N2CCC(C#N)CC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001304810750 1047777977 /nfs/dbraw/zinc/77/79/77/1047777977.db2.gz CFMHGTDSEIJUMH-AVRDEDQJSA-N 1 0 392.551 3.627 20 30 GHEDRO C[C@@H]1CCC[C@](Cn2c(C3CCC3)nnc2N2CCC(C#N)CC2)([NH+](C)C)C1 ZINC001304983468 1047829536 /nfs/dbraw/zinc/82/95/36/1047829536.db2.gz DRAZXKMFDYIHBZ-VGSWGCGISA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001305014521 1047837927 /nfs/dbraw/zinc/83/79/27/1047837927.db2.gz GXAVHSCBAYVFRV-AVRDEDQJSA-N 1 0 396.514 3.652 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C ZINC001305020162 1047838960 /nfs/dbraw/zinc/83/89/60/1047838960.db2.gz MSNPTVULEBOBMU-GOSISDBHSA-N 1 0 386.588 3.970 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001305050222 1047856320 /nfs/dbraw/zinc/85/63/20/1047856320.db2.gz VCRKXGYGGOHVDT-AUSIDOKSSA-N 1 0 398.599 3.873 20 30 GHEDRO C#CCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2c(F)cc(Cl)cc2Br)C1 ZINC001279750442 1047942227 /nfs/dbraw/zinc/94/22/27/1047942227.db2.gz XGXDKIYVTUEGPZ-PIGZYNQJSA-N 1 0 399.691 3.915 20 30 GHEDRO CCCCCCCCNC(=S)N[C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001279923393 1047989180 /nfs/dbraw/zinc/98/91/80/1047989180.db2.gz KLLMSQLVLZYZRJ-RTWAWAEBSA-N 1 0 382.662 3.808 20 30 GHEDRO C=CCCNC(=S)N1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001279936754 1047995008 /nfs/dbraw/zinc/99/50/08/1047995008.db2.gz QFGIXIKNAXYPGE-UHFFFAOYSA-N 1 0 377.520 3.958 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CCC3(C2)CC[NH+](Cc2scnc2Cl)CC3)CCC1 ZINC001279999772 1048036302 /nfs/dbraw/zinc/03/63/02/1048036302.db2.gz CECXMWWSNQLLDE-CQSZACIVSA-N 1 0 392.956 3.741 20 30 GHEDRO CS[C@H](C)CC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1cc(C)ccc1C#N ZINC001280224007 1048133431 /nfs/dbraw/zinc/13/34/31/1048133431.db2.gz PFVNQGONQYQASB-WBVHZDCISA-N 1 0 389.590 3.754 20 30 GHEDRO C[C@@H](CC[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1(C#N)CCC1)CC(C)(C)C ZINC001280265991 1048152111 /nfs/dbraw/zinc/15/21/11/1048152111.db2.gz AQHFJMCAHQPQSH-IRXDYDNUSA-N 1 0 377.598 3.819 20 30 GHEDRO C[C@H](CC[NH+]1CC2(C1)SCC[C@H]2C(=O)N1CC(CC#N)C1)CC(C)(C)C ZINC001280270746 1048153185 /nfs/dbraw/zinc/15/31/85/1048153185.db2.gz YXWNXKSULOUFRD-AEFFLSMTSA-N 1 0 377.598 3.628 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001286279154 1048249631 /nfs/dbraw/zinc/24/96/31/1048249631.db2.gz UAKYRTPADVHFJB-JBACZVJFSA-N 1 0 379.552 3.762 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCC[N@H+]1CCC ZINC001286289300 1048257366 /nfs/dbraw/zinc/25/73/66/1048257366.db2.gz LDEWJBBIHCDLEC-ZWKOTPCHSA-N 1 0 383.515 3.807 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1 ZINC001286292415 1048258994 /nfs/dbraw/zinc/25/89/94/1048258994.db2.gz IEZDNPZIWUWPTB-UXHICEINSA-N 1 0 387.572 3.634 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001286294683 1048260097 /nfs/dbraw/zinc/26/00/97/1048260097.db2.gz WOUIYXYBGQWDSP-SLFFLAALSA-N 1 0 387.572 3.632 20 30 GHEDRO C#CCCCCn1c(C2CCC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001286324017 1048272093 /nfs/dbraw/zinc/27/20/93/1048272093.db2.gz KZACGGJIAWTKIB-UHFFFAOYSA-N 1 0 391.563 3.980 20 30 GHEDRO CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001305867811 1048275163 /nfs/dbraw/zinc/27/51/63/1048275163.db2.gz QGXNFUQSPMEPFZ-HSZRJFAPSA-N 1 0 392.551 3.929 20 30 GHEDRO C#CCN(C)c1nnc(C2CC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001286372489 1048295981 /nfs/dbraw/zinc/29/59/81/1048295981.db2.gz VJGANXWKAOQFDW-ICSRJNTNSA-N 1 0 377.536 3.526 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001286405523 1048305774 /nfs/dbraw/zinc/30/57/74/1048305774.db2.gz IOKOAVQRLOYHNQ-FQEVSTJZSA-N 1 0 395.938 3.546 20 30 GHEDRO C#CCN(CC#C)c1nnc(C2CCC2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286407112 1048307397 /nfs/dbraw/zinc/30/73/97/1048307397.db2.gz CVGWTQUYIUVXOI-JOCHJYFZSA-N 1 0 389.547 3.702 20 30 GHEDRO CCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001305920843 1048312957 /nfs/dbraw/zinc/31/29/57/1048312957.db2.gz VDPHRKRDMVHICL-HXUWFJFHSA-N 1 0 394.567 3.836 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CC1([NH+](C)C)CCCC1 ZINC001286422860 1048313799 /nfs/dbraw/zinc/31/37/99/1048313799.db2.gz BTQWZHMATACYPJ-UHFFFAOYSA-N 1 0 389.547 3.591 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001286441781 1048324080 /nfs/dbraw/zinc/32/40/80/1048324080.db2.gz URMHRWZENFRELD-HXUWFJFHSA-N 1 0 379.552 3.917 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286446384 1048327188 /nfs/dbraw/zinc/32/71/88/1048327188.db2.gz GBWMRWRMINLZGX-NRFANRHFSA-N 1 0 397.542 3.588 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001286455114 1048332127 /nfs/dbraw/zinc/33/21/27/1048332127.db2.gz SDDQVYCDSPJRSE-OAQYLSRUSA-N 1 0 397.542 3.733 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001286517074 1048344621 /nfs/dbraw/zinc/34/46/21/1048344621.db2.gz ONSFOKILONUDSH-XMSQKQJNSA-N 1 0 381.524 3.713 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001286525825 1048351403 /nfs/dbraw/zinc/35/14/03/1048351403.db2.gz MUGLREXKHPABHT-HSZRJFAPSA-N 1 0 377.536 3.670 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001286569113 1048368480 /nfs/dbraw/zinc/36/84/80/1048368480.db2.gz DIRWJEZXZZHBQG-MRXNPFEDSA-N 1 0 388.947 3.880 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001286570725 1048370283 /nfs/dbraw/zinc/37/02/83/1048370283.db2.gz GYWYDLCZGHXFOM-FQEVSTJZSA-N 1 0 378.524 3.703 20 30 GHEDRO C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286601675 1048382775 /nfs/dbraw/zinc/38/27/75/1048382775.db2.gz XHLFEHRAVQMGBU-IBGZPJMESA-N 1 0 389.588 3.839 20 30 GHEDRO C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286637805 1048406769 /nfs/dbraw/zinc/40/67/69/1048406769.db2.gz NDLJJRMKNZHQBD-IRXDYDNUSA-N 1 0 387.503 3.664 20 30 GHEDRO C=C1CCN(c2nnc(C3CCC3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001286645293 1048410793 /nfs/dbraw/zinc/41/07/93/1048410793.db2.gz ABAAROBDEUNVFZ-UHFFFAOYSA-N 1 0 395.551 3.691 20 30 GHEDRO CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001306096261 1048420358 /nfs/dbraw/zinc/42/03/58/1048420358.db2.gz KARJLQVSAYPEBM-QGZVFWFLSA-N 1 0 380.540 3.611 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286671517 1048436660 /nfs/dbraw/zinc/43/66/60/1048436660.db2.gz YTQLOEAVGKQGNC-UHFFFAOYSA-N 1 0 399.587 3.592 20 30 GHEDRO C=CCCCn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001286704087 1048462610 /nfs/dbraw/zinc/46/26/10/1048462610.db2.gz ZGUDVCZEJKAZOA-CTNGQTDRSA-N 1 0 379.552 3.702 20 30 GHEDRO C=CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001286716669 1048471999 /nfs/dbraw/zinc/47/19/99/1048471999.db2.gz KPAFDAKBFMQARE-KRWDZBQOSA-N 1 0 390.535 3.907 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001286729503 1048485865 /nfs/dbraw/zinc/48/58/65/1048485865.db2.gz VZLHEZIVOXOHJJ-DLBZAZTESA-N 1 0 387.553 3.650 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCC[N@H+]1CCCC)C1CC1 ZINC001286738585 1048497108 /nfs/dbraw/zinc/49/71/08/1048497108.db2.gz XKAJKMPBPOTSLO-QUCCMNQESA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC001286739393 1048498068 /nfs/dbraw/zinc/49/80/68/1048498068.db2.gz AKGJNHRRCWBUTN-LJQANCHMSA-N 1 0 399.514 3.635 20 30 GHEDRO CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001306270556 1048532933 /nfs/dbraw/zinc/53/29/33/1048532933.db2.gz OJPLUEYVNGRTIO-RXVVDRJESA-N 1 0 390.535 3.703 20 30 GHEDRO C=CCSCCn1c(C2CC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001286829342 1048538630 /nfs/dbraw/zinc/53/86/30/1048538630.db2.gz CPFFLSRARXTLEA-UHFFFAOYSA-N 1 0 397.592 3.705 20 30 GHEDRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001306286737 1048543134 /nfs/dbraw/zinc/54/31/34/1048543134.db2.gz LQABKZWHORSUEA-GHTZIAJQSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)Cn1c(C2CC2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 ZINC001286964877 1048557784 /nfs/dbraw/zinc/55/77/84/1048557784.db2.gz FFIMNXKTCORNRR-IAGOWNOFSA-N 1 0 380.540 3.881 20 30 GHEDRO CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)C1 ZINC001287255963 1048686231 /nfs/dbraw/zinc/68/62/31/1048686231.db2.gz PWWIOKDOGCZBSG-NRFANRHFSA-N 1 0 392.551 3.785 20 30 GHEDRO CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001287321173 1048715463 /nfs/dbraw/zinc/71/54/63/1048715463.db2.gz BRPIZLIFCHKTFK-UEXGIBASSA-N 1 0 394.567 3.885 20 30 GHEDRO CC(C)[NH+]1CCC(CCNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC001287371665 1048741098 /nfs/dbraw/zinc/74/10/98/1048741098.db2.gz RIYNINKNTJSDEC-UHFFFAOYSA-N 1 0 395.503 3.971 20 30 GHEDRO CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCC1 ZINC001306576193 1048747925 /nfs/dbraw/zinc/74/79/25/1048747925.db2.gz XKBFABOKLHHNDW-QGZVFWFLSA-N 1 0 380.540 3.926 20 30 GHEDRO CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C[NH+](C)C ZINC001287574296 1048829181 /nfs/dbraw/zinc/82/91/81/1048829181.db2.gz ALZSDCLLUWRAOH-UHFFFAOYSA-N 1 0 382.556 3.887 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)C[C@@H](C)C#N ZINC001306723028 1048851225 /nfs/dbraw/zinc/85/12/25/1048851225.db2.gz NFYTWXFVNUGXOB-OALUTQOASA-N 1 0 395.555 3.591 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001287912018 1048943873 /nfs/dbraw/zinc/94/38/73/1048943873.db2.gz NCOUQLHOQGWTAV-QUCCMNQESA-N 1 0 378.524 3.536 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC001306936213 1048967970 /nfs/dbraw/zinc/96/79/70/1048967970.db2.gz ORPCBCJEQPTBPA-SCTDSRPQSA-N 1 0 377.492 3.982 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC001306936215 1048968210 /nfs/dbraw/zinc/96/82/10/1048968210.db2.gz ORPCBCJEQPTBPA-ZIFCJYIRSA-N 1 0 377.492 3.982 20 30 GHEDRO N#Cc1cc(F)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC001307073121 1049055417 /nfs/dbraw/zinc/05/54/17/1049055417.db2.gz QGFVKZUXLIZUCC-YVEFUNNKSA-N 1 0 378.289 3.913 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001288515376 1049122416 /nfs/dbraw/zinc/12/24/16/1049122416.db2.gz ZLXORPRNSDPRKG-CABCVRRESA-N 1 0 386.931 3.820 20 30 GHEDRO C=CCn1c(SC[C@H]2CCC[N@@H+]2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001307237542 1049157680 /nfs/dbraw/zinc/15/76/80/1049157680.db2.gz DBDNHKKATWCMAY-UONOGXRCSA-N 1 0 389.590 3.955 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC001307529824 1049375488 /nfs/dbraw/zinc/37/54/88/1049375488.db2.gz LZPSKYRHLAZHHH-LEWJYISDSA-N 1 0 378.497 3.889 20 30 GHEDRO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)CC2(C#N)CCC2)c1 ZINC001307578901 1049416684 /nfs/dbraw/zinc/41/66/84/1049416684.db2.gz KRGWRKCKIYHYTD-DHIUTWEWSA-N 1 0 378.516 3.976 20 30 GHEDRO C[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)C1(c2ccccc2)CCCC1 ZINC001307691071 1049509718 /nfs/dbraw/zinc/50/97/18/1049509718.db2.gz BKLIETVZFKRHQE-LJQANCHMSA-N 1 0 386.495 3.776 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001307813388 1049610600 /nfs/dbraw/zinc/61/06/00/1049610600.db2.gz VCGOMHIIFKLKHT-HXUWFJFHSA-N 1 0 383.879 3.853 20 30 GHEDRO N#CC(CC[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1)(c1ccccc1)c1ccccc1 ZINC001308016391 1049765212 /nfs/dbraw/zinc/76/52/12/1049765212.db2.gz FWOFPTVYSOIELT-QHCPKHFHSA-N 1 0 387.527 3.862 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001308041434 1049792628 /nfs/dbraw/zinc/79/26/28/1049792628.db2.gz ZYIUNCZWAZHXET-QGZVFWFLSA-N 1 0 375.900 3.679 20 30 GHEDRO C=CCc1cc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)cc(OC)c1O ZINC001308284613 1049937581 /nfs/dbraw/zinc/93/75/81/1049937581.db2.gz CTHVKGYWQJBQNX-UHFFFAOYSA-N 1 0 381.451 3.786 20 30 GHEDRO Fc1cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)ccc1OCC(F)(F)F ZINC001308308452 1049945109 /nfs/dbraw/zinc/94/51/09/1049945109.db2.gz QXMYFTQRSYGHMW-UHFFFAOYSA-N 1 0 385.283 3.815 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)c2c1 ZINC001306935265 1049972643 /nfs/dbraw/zinc/97/26/43/1049972643.db2.gz MMDMQSSRKFUNAE-NUJGCVRESA-N 1 0 394.519 3.965 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC(C)(C)C1(O)CCCC1 ZINC001308435818 1049975348 /nfs/dbraw/zinc/97/53/48/1049975348.db2.gz DWBFEULGQLJYCF-UHFFFAOYSA-N 1 0 380.326 3.882 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC001308718738 1050070900 /nfs/dbraw/zinc/07/09/00/1050070900.db2.gz XSNQOURAOMKVGB-UHFFFAOYSA-N 1 0 377.488 3.801 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1 ZINC001308758523 1050084645 /nfs/dbraw/zinc/08/46/45/1050084645.db2.gz BMVFVRIEDLZAMF-GOSISDBHSA-N 1 0 387.524 3.696 20 30 GHEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308851441 1050123871 /nfs/dbraw/zinc/12/38/71/1050123871.db2.gz LUTVOQGOEYPALA-DENIHFKCSA-N 1 0 387.524 3.561 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC001327946399 1050332160 /nfs/dbraw/zinc/33/21/60/1050332160.db2.gz PQEKULHZHVRQPM-AVAKVYKDSA-N 1 0 376.378 3.832 20 30 GHEDRO CCOc1cc(C[NH2+]Cc2cccc(OCC#N)c2)cc(Br)c1O ZINC001328214026 1050445576 /nfs/dbraw/zinc/44/55/76/1050445576.db2.gz AXZQLBZELKVVRV-UHFFFAOYSA-N 1 0 391.265 3.746 20 30 GHEDRO CN1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140971 1050731316 /nfs/dbraw/zinc/73/13/16/1050731316.db2.gz IRCYNUCAQCDNFZ-LAUBAEHRSA-N 1 0 382.533 3.621 20 30 GHEDRO C=C(Cl)C[C@@H]1NC(=O)N(C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001329708259 1050889671 /nfs/dbraw/zinc/88/96/71/1050889671.db2.gz AUUHXRDHVUHHQL-SWDXFRIISA-N 1 0 387.911 3.635 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cc(CC#N)ccn3)cc2)C1 ZINC001311074070 1051827400 /nfs/dbraw/zinc/82/74/00/1051827400.db2.gz DVHYWQSSQNXLEV-QGZVFWFLSA-N 1 0 377.492 3.701 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)[NH+](CC)CC)cc1 ZINC001311215294 1051946321 /nfs/dbraw/zinc/94/63/21/1051946321.db2.gz HSCYPNANQBFWKX-IRXDYDNUSA-N 1 0 384.446 3.776 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC#C[C@H]1CCCCO1)c1ccccc1Cl ZINC001311568598 1052251840 /nfs/dbraw/zinc/25/18/40/1052251840.db2.gz SBJLHVQZIKRLLF-XLIONFOSSA-N 1 0 391.943 3.595 20 30 GHEDRO C#CCCCc1nnc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)n1Cc1cccs1 ZINC001336398341 1052267075 /nfs/dbraw/zinc/26/70/75/1052267075.db2.gz IGCAGVAWFVSUCL-OTWHNJEPSA-N 1 0 397.592 3.510 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC001311895613 1052462733 /nfs/dbraw/zinc/46/27/33/1052462733.db2.gz RCGITUVXCDYOFG-JOCHJYFZSA-N 1 0 396.510 3.998 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001312581727 1052799255 /nfs/dbraw/zinc/79/92/55/1052799255.db2.gz GOEVWUARMIPKFN-UZLBHIALSA-N 1 0 396.922 3.779 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001312726362 1052849418 /nfs/dbraw/zinc/84/94/18/1052849418.db2.gz SGCXWFUMUIDMNV-RPWUZVMVSA-N 1 0 387.527 3.864 20 30 GHEDRO CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001313626559 1053147336 /nfs/dbraw/zinc/14/73/36/1053147336.db2.gz MXUKCSKYWNZJRK-IBGZPJMESA-N 1 0 392.551 3.783 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@H]1c1ccccc1OC ZINC001342417146 1053158280 /nfs/dbraw/zinc/15/82/80/1053158280.db2.gz ZKIVPDNRCQSEAS-IBGZPJMESA-N 1 0 381.524 3.623 20 30 GHEDRO CCn1c(Cc2cccc(C#N)c2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342686161 1053299868 /nfs/dbraw/zinc/29/98/68/1053299868.db2.gz QFANWFRTCRFGLC-UHFFFAOYSA-N 1 0 392.551 3.605 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)c3sc(C4CC[NH2+]CC4)nc3C)cc21 ZINC001342698352 1053306152 /nfs/dbraw/zinc/30/61/52/1053306152.db2.gz YUVWKHPVNFDCHR-UHFFFAOYSA-N 1 0 381.505 3.707 20 30 GHEDRO C=C(C)Cn1c(Cc2ccnc(C)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001342721490 1053319254 /nfs/dbraw/zinc/31/92/54/1053319254.db2.gz GEFYRSNFFOSVTA-UHFFFAOYSA-N 1 0 396.583 3.705 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(C#N)cc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342911440 1053430152 /nfs/dbraw/zinc/43/01/52/1053430152.db2.gz IGRDLWPTWITKOE-UHFFFAOYSA-N 1 0 392.551 3.592 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 ZINC001314647787 1053548625 /nfs/dbraw/zinc/54/86/25/1053548625.db2.gz FKMPZHOWNLNTLE-KNQAVFIVSA-N 1 0 396.514 3.554 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314728650 1053580108 /nfs/dbraw/zinc/58/01/08/1053580108.db2.gz BQPHRLVKHMWMCE-UHFFFAOYSA-N 1 0 392.551 3.928 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001343233045 1053636879 /nfs/dbraw/zinc/63/68/79/1053636879.db2.gz LHKDMBXHHIFEBJ-HBFSDRIKSA-N 1 0 387.572 3.652 20 30 GHEDRO N#CC(=C([O-])c1ccn(-c2cc[nH+]cc2)n1)c1nc2ccccc2n1C(F)F ZINC001343377789 1053736557 /nfs/dbraw/zinc/73/65/57/1053736557.db2.gz MEIHAAJUYFAVTA-CYBMUJFWSA-N 1 0 378.342 3.502 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@H](CC(F)(F)F)C1 ZINC001343429448 1053765921 /nfs/dbraw/zinc/76/59/21/1053765921.db2.gz SJOPBRNWULNCJG-OAHLLOKOSA-N 1 0 385.478 3.832 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC001343503370 1053822311 /nfs/dbraw/zinc/82/23/11/1053822311.db2.gz NWLPZFWDEGNEKD-UHFFFAOYSA-N 1 0 399.214 3.936 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N(C)[C@H]1CCSC1 ZINC001343577527 1053901483 /nfs/dbraw/zinc/90/14/83/1053901483.db2.gz QLGLSSUROFHTLI-SLFFLAALSA-N 1 0 397.592 3.609 20 30 GHEDRO C=C(C)Cn1c(Cc2ccnc(C)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001343600149 1053916986 /nfs/dbraw/zinc/91/69/86/1053916986.db2.gz UUWXHPFDVXRRNX-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)OCC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001343607330 1053922701 /nfs/dbraw/zinc/92/27/01/1053922701.db2.gz VURQFCNUAFRACI-RBUKOAKNSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nnc1C(C)(C)CC#N ZINC001343681328 1053970449 /nfs/dbraw/zinc/97/04/49/1053970449.db2.gz LIXZSGMSFHGLCE-FQEVSTJZSA-N 1 0 392.551 3.756 20 30 GHEDRO C=C(C)Cn1c([C@H](C)C(C)(C)O)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001343758809 1054001960 /nfs/dbraw/zinc/00/19/60/1054001960.db2.gz GHLQAWBWPUGEFO-SFHVURJKSA-N 1 0 391.604 3.677 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001343850228 1054066106 /nfs/dbraw/zinc/06/61/06/1054066106.db2.gz CHQUKANJBDDZOX-WOJBJXKFSA-N 1 0 382.556 3.574 20 30 GHEDRO Cn1cc(-c2ccc(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)cn1 ZINC001344367561 1054389218 /nfs/dbraw/zinc/38/92/18/1054389218.db2.gz XNLXPVZIQBFNKM-UHFFFAOYSA-N 1 0 385.515 3.667 20 30 GHEDRO CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001344846552 1054770205 /nfs/dbraw/zinc/77/02/05/1054770205.db2.gz BSBMVTOYLQUBPM-IBGZPJMESA-N 1 0 380.540 3.664 20 30 GHEDRO CCCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CC[N@H+](C)C1 ZINC001345736390 1055232064 /nfs/dbraw/zinc/23/20/64/1055232064.db2.gz BHRIAHFOVLOOTK-SFHVURJKSA-N 1 0 382.533 3.912 20 30 GHEDRO CC[NH+](CC)Cc1ccc(-c2nnc(CCc3c(C)nn(CCC#N)c3C)o2)o1 ZINC001345812509 1055271233 /nfs/dbraw/zinc/27/12/33/1055271233.db2.gz HHFFPRAOFLRPHT-UHFFFAOYSA-N 1 0 396.495 3.684 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[NH+](C(C)(C)C)CC2)c1=S ZINC001319753285 1055444585 /nfs/dbraw/zinc/44/45/85/1055444585.db2.gz ZKORPDCRZCIMIE-UHFFFAOYSA-N 1 0 385.581 3.949 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc(Br)o1)C(C)C ZINC001320552488 1055876647 /nfs/dbraw/zinc/87/66/47/1055876647.db2.gz ZHAXBFBOKJZSRZ-HNNXBMFYSA-N 1 0 384.318 3.540 20 30 GHEDRO CCCc1c(NC(=O)c2ccc3c[nH+]cn3c2C)cnn1-c1cccc(C#N)c1 ZINC001320577681 1055891271 /nfs/dbraw/zinc/89/12/71/1055891271.db2.gz OCEYIVNDSJSEAQ-UHFFFAOYSA-N 1 0 384.443 3.905 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC001320688494 1055929095 /nfs/dbraw/zinc/92/90/95/1055929095.db2.gz IXXPQQSUBOPZPL-QPIRBTGLSA-N 1 0 390.405 3.659 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[NH+](C(C)(C)C)CC2)c1=S ZINC001321783821 1056396501 /nfs/dbraw/zinc/39/65/01/1056396501.db2.gz PIRYNLKJNCSVKY-UHFFFAOYSA-N 1 0 389.544 3.780 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001300602916 1056611715 /nfs/dbraw/zinc/61/17/15/1056611715.db2.gz VNGBLNZJZXGCBG-MJGOQNOKSA-N 1 0 399.514 3.501 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001322502003 1056733016 /nfs/dbraw/zinc/73/30/16/1056733016.db2.gz AHTRYMRIWUIQDT-UHFFFAOYSA-N 1 0 390.940 3.695 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC[N@@H+](C)[C@H](C)CC ZINC001300634160 1056735853 /nfs/dbraw/zinc/73/58/53/1056735853.db2.gz WBRARXCHXHLJDK-GOSISDBHSA-N 1 0 392.551 3.540 20 30 GHEDRO C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000848396281 1057063177 /nfs/dbraw/zinc/06/31/77/1057063177.db2.gz KKMHFWPXARVQGE-VQIMIIECSA-N 1 0 378.476 3.527 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C[C@@H](c3ccccc3)Oc3ccccc31)C2 ZINC001355146249 1057063188 /nfs/dbraw/zinc/06/31/88/1057063188.db2.gz GNJLJYGBERGRNL-FUOHMOHFSA-N 1 0 387.483 3.507 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000848556484 1057176579 /nfs/dbraw/zinc/17/65/79/1057176579.db2.gz YUPPOIFYRMEMIQ-UHFFFAOYSA-N 1 0 385.458 3.892 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CCCN(Cc3cc(C)on3)CC2)ccc1OC ZINC001324743799 1057217159 /nfs/dbraw/zinc/21/71/59/1057217159.db2.gz JNUSAZRSGXVXBX-UHFFFAOYSA-N 1 0 385.508 3.654 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001355582696 1057218389 /nfs/dbraw/zinc/21/83/89/1057218389.db2.gz XPTYLJZAVQMSLP-GZOXUSKESA-N 1 0 390.527 3.975 20 30 GHEDRO C=C(C)Cn1c(-c2ccco2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356089219 1057385307 /nfs/dbraw/zinc/38/53/07/1057385307.db2.gz XXXVWRQMNCBNHR-LJQANCHMSA-N 1 0 377.492 3.825 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)ccc1N1CC[NH+](C)CC1 ZINC001326219658 1057436568 /nfs/dbraw/zinc/43/65/68/1057436568.db2.gz RRPFJPFEJJBXDE-SFHVURJKSA-N 1 0 391.519 3.843 20 30 GHEDRO C=C(C)Cn1c(Cc2ccnc(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001356276143 1057457401 /nfs/dbraw/zinc/45/74/01/1057457401.db2.gz QSWWAMSAFQVOCF-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(C(=O)N3CCCc4c(C#N)cccc43)cc2)C[C@H](C)O1 ZINC001326332979 1057458305 /nfs/dbraw/zinc/45/83/05/1057458305.db2.gz LCSYWMZVOXWSPM-HDICACEKSA-N 1 0 389.499 3.760 20 30 GHEDRO Brc1cnn(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000849050900 1057558302 /nfs/dbraw/zinc/55/83/02/1057558302.db2.gz NNYCKGRBJMQDJE-UHFFFAOYSA-N 1 0 376.302 3.600 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001338678776 1058726855 /nfs/dbraw/zinc/72/68/55/1058726855.db2.gz AZWONYJHLOQWMN-HNNXBMFYSA-N 1 0 398.580 3.776 20 30 GHEDRO C=CCn1c(N2CC[C@H](C[NH+](CC)CC)C2)nnc1C(F)(F)c1ccccc1 ZINC001338821083 1058810798 /nfs/dbraw/zinc/81/07/98/1058810798.db2.gz AVZPTQGZAFBKLZ-QGZVFWFLSA-N 1 0 389.494 3.772 20 30 GHEDRO C=CCn1c(C2CCC(OC(C)C)CC2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001338841336 1058823449 /nfs/dbraw/zinc/82/34/49/1058823449.db2.gz VATUTUFEVLKIOU-UHFFFAOYSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC001442136338 1058925015 /nfs/dbraw/zinc/92/50/15/1058925015.db2.gz LYYBFSSXCKLDRA-XEGCGARISA-N 1 0 386.536 3.756 20 30 GHEDRO C=CCn1c(Cc2ccnc(C)c2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001339032069 1058931810 /nfs/dbraw/zinc/93/18/10/1058931810.db2.gz XBOBYDYSKGVXSK-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO C=CCn1c(-c2ccc([C@@H](C)O)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339105132 1058962508 /nfs/dbraw/zinc/96/25/08/1058962508.db2.gz TUAPJNNRWAKLBU-GOSISDBHSA-N 1 0 395.551 3.639 20 30 GHEDRO C=CCn1c([C@@H](O)CC(C)(C)C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001339130021 1058972627 /nfs/dbraw/zinc/97/26/27/1058972627.db2.gz HMESTUGQWOOHLE-SFHVURJKSA-N 1 0 389.588 3.779 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC001442601079 1058982579 /nfs/dbraw/zinc/98/25/79/1058982579.db2.gz JVNKKUUYNVTOGJ-UHFFFAOYSA-N 1 0 390.531 3.930 20 30 GHEDRO Cc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc(C)c1C#N ZINC001442840112 1059015684 /nfs/dbraw/zinc/01/56/84/1059015684.db2.gz LVLUNTCRDLKROF-UHFFFAOYSA-N 1 0 375.516 3.956 20 30 GHEDRO CCn1c(CCCCC#N)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001339313467 1059095814 /nfs/dbraw/zinc/09/58/14/1059095814.db2.gz XPXBVQXEAWGHMX-LJQANCHMSA-N 1 0 380.540 3.635 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC(O)(c2cccc(Cl)c2)C1)C(C)C ZINC001443428431 1059128342 /nfs/dbraw/zinc/12/83/42/1059128342.db2.gz OQEWDVMGHMCZRK-LVKMRUPZSA-N 1 0 390.955 3.752 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001339499140 1059258055 /nfs/dbraw/zinc/25/80/55/1059258055.db2.gz KJJUEQGSQNRFDD-LJQANCHMSA-N 1 0 378.524 3.584 20 30 GHEDRO C=CCn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001339639759 1059363360 /nfs/dbraw/zinc/36/33/60/1059363360.db2.gz SUHFZEHXKJLMNL-HSZRJFAPSA-N 1 0 396.583 3.746 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339798995 1059483116 /nfs/dbraw/zinc/48/31/16/1059483116.db2.gz UTUZAUWDMNSMCY-MSOLQXFVSA-N 1 0 387.572 3.590 20 30 GHEDRO Cn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001340117465 1059707777 /nfs/dbraw/zinc/70/77/77/1059707777.db2.gz GXTFWPMUZOVKHC-HXUWFJFHSA-N 1 0 376.508 3.677 20 30 GHEDRO C[NH+](C)CCc1cccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC001446226245 1059730356 /nfs/dbraw/zinc/73/03/56/1059730356.db2.gz FRNKVPFSIYWYHY-GOSISDBHSA-N 1 0 386.293 3.548 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001340205376 1059762934 /nfs/dbraw/zinc/76/29/34/1059762934.db2.gz NIFKFFVDUJRESM-DENIHFKCSA-N 1 0 385.556 3.551 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001340313483 1059849266 /nfs/dbraw/zinc/84/92/66/1059849266.db2.gz ZTFKJHUGXURNCB-OAHLLOKOSA-N 1 0 386.569 3.633 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001340522004 1059961511 /nfs/dbraw/zinc/96/15/11/1059961511.db2.gz ZJAAEZLYAOVQLV-HXUWFJFHSA-N 1 0 384.572 3.649 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2Cc2ccccc2)CC1 ZINC001340552985 1059972322 /nfs/dbraw/zinc/97/23/22/1059972322.db2.gz AYFNSKVRBDQTDR-UXHICEINSA-N 1 0 392.551 3.512 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001340657706 1060026090 /nfs/dbraw/zinc/02/60/90/1060026090.db2.gz ZLUDTVUCMVEYDM-KRWDZBQOSA-N 1 0 396.539 3.617 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCC[N@H+]2CCC)s1 ZINC001449108314 1060333692 /nfs/dbraw/zinc/33/36/92/1060333692.db2.gz TZCNFFLXBTYINU-AWEZNQCLSA-N 1 0 388.002 3.829 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001341924517 1060952792 /nfs/dbraw/zinc/95/27/92/1060952792.db2.gz VNNVVNMKTLEXDH-MRXNPFEDSA-N 1 0 399.587 3.657 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001341969052 1060976039 /nfs/dbraw/zinc/97/60/39/1060976039.db2.gz KTHHDWWNSVUYQB-CYBMUJFWSA-N 1 0 393.112 3.783 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001342018807 1060999176 /nfs/dbraw/zinc/99/91/76/1060999176.db2.gz BRVYTUHMIWXWGH-IRXDYDNUSA-N 1 0 379.499 3.822 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342121275 1061069275 /nfs/dbraw/zinc/06/92/75/1061069275.db2.gz KCJVINYSWNASOO-LJQANCHMSA-N 1 0 394.567 3.856 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+](CC)CC)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001342186481 1061115283 /nfs/dbraw/zinc/11/52/83/1061115283.db2.gz BPKJHQPPTJBGGP-HSZRJFAPSA-N 1 0 396.583 3.890 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC(C#N)CC1 ZINC001342231607 1061160095 /nfs/dbraw/zinc/16/00/95/1061160095.db2.gz BLUNSUHWSJWOAB-OAQYLSRUSA-N 1 0 390.535 3.584 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001346295730 1061503460 /nfs/dbraw/zinc/50/34/60/1061503460.db2.gz OYBCXCPKBOJPSY-FQEVSTJZSA-N 1 0 384.572 3.793 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCC[NH+]2CCC(C)CC2)o1 ZINC001361175372 1061686282 /nfs/dbraw/zinc/68/62/82/1061686282.db2.gz LEUFYRVFRORZJS-SFHVURJKSA-N 1 0 398.555 3.955 20 30 GHEDRO C[C@@]12CN(C(=O)c3ncc(C#N)cc3Cl)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001454406561 1061765043 /nfs/dbraw/zinc/76/50/43/1061765043.db2.gz RRAUBFSXAITZCN-FGZHOGPDSA-N 1 0 394.906 3.591 20 30 GHEDRO C=CCNc1ncc(C(=O)N2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)s1 ZINC001454410608 1061770149 /nfs/dbraw/zinc/77/01/49/1061770149.db2.gz ZMUMTUICGFKSBI-FGZHOGPDSA-N 1 0 396.560 3.725 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC2(COC2)C1 ZINC001346658594 1061773489 /nfs/dbraw/zinc/77/34/89/1061773489.db2.gz XQPPQYPHGYMWEX-IBGZPJMESA-N 1 0 385.556 3.551 20 30 GHEDRO C[NH+](C)CCc1cccc(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC001455086594 1061999350 /nfs/dbraw/zinc/99/93/50/1061999350.db2.gz BNBQTXBDKLMNSK-GOSISDBHSA-N 1 0 375.394 3.696 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)c2ccc(C[NH+]3CCCC3)o2)C(F)(F)F)c1 ZINC001455093990 1062001966 /nfs/dbraw/zinc/00/19/66/1062001966.db2.gz SDGMLNOGCLOYIW-KRWDZBQOSA-N 1 0 377.366 3.780 20 30 GHEDRO CC[NH+]1CCC(C(=O)NCc2ccc(SC)c(C#N)c2)(c2ccccc2)CC1 ZINC001455784371 1062289956 /nfs/dbraw/zinc/28/99/56/1062289956.db2.gz ZENAJXVESXRFGC-UHFFFAOYSA-N 1 0 393.556 3.950 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001347733231 1062605723 /nfs/dbraw/zinc/60/57/23/1062605723.db2.gz DHAVJGHZBPORDP-GHTZIAJQSA-N 1 0 392.551 3.806 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[C@@](F)(C#N)C1 ZINC001435903916 1062990681 /nfs/dbraw/zinc/99/06/81/1062990681.db2.gz ACLWIXCBTVYIFD-GMKZXUHWSA-N 1 0 391.490 3.540 20 30 GHEDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2F)CC1 ZINC001348554380 1063209609 /nfs/dbraw/zinc/20/96/09/1063209609.db2.gz BRXLLWGRIFHSGA-QFIPXVFZSA-N 1 0 378.495 3.616 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC001348956568 1063439541 /nfs/dbraw/zinc/43/95/41/1063439541.db2.gz BDAQKYOTKNIQMB-UHFFFAOYSA-N 1 0 387.487 3.506 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3ccc(F)cc3)[NH+](C)C)c2c1 ZINC001458117940 1063578692 /nfs/dbraw/zinc/57/86/92/1063578692.db2.gz VMKRTSIWGQKZFJ-LJQANCHMSA-N 1 0 394.450 3.978 20 30 GHEDRO C=CCC[C@@H]1CCCN1c1nnc(C2CC[NH+](C)CC2)n1C[C@@H]1CCCCO1 ZINC001349411095 1063704811 /nfs/dbraw/zinc/70/48/11/1063704811.db2.gz HYZZYTDGXSIAPF-UXHICEINSA-N 1 0 387.572 3.591 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC(C)([NH+]4CCCC4)CC3)c2c1 ZINC001458515424 1063860203 /nfs/dbraw/zinc/86/02/03/1063860203.db2.gz WVXXOWZDUASQMB-UHFFFAOYSA-N 1 0 380.492 3.578 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)cc1OC ZINC001437874333 1063945619 /nfs/dbraw/zinc/94/56/19/1063945619.db2.gz QPABHUNMJIXCPX-FFZDDMFNSA-N 1 0 386.536 3.995 20 30 GHEDRO Cc1nc(C2CCC2)sc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001350522479 1064113913 /nfs/dbraw/zinc/11/39/13/1064113913.db2.gz MTVCQFNWKTZNMC-UHFFFAOYSA-N 1 0 396.560 3.724 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC001460063094 1064388773 /nfs/dbraw/zinc/38/87/73/1064388773.db2.gz RFHDXKYYVZNBNH-XGHQBKJUSA-N 1 0 399.535 3.620 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@H](CC#N)c2ccccc2)[NH+]2CCCC2)cc1 ZINC001463568467 1064467254 /nfs/dbraw/zinc/46/72/54/1064467254.db2.gz ULLREJKJDVBRNI-FGZHOGPDSA-N 1 0 377.488 3.646 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001463676155 1064544352 /nfs/dbraw/zinc/54/43/52/1064544352.db2.gz KXMOIRMAKBSICZ-UHFFFAOYSA-N 1 0 391.562 3.660 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC001464329443 1064957634 /nfs/dbraw/zinc/95/76/34/1064957634.db2.gz WMEGJWQMOPZRCM-VAWYXSNFSA-N 1 0 376.500 3.823 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)cc1 ZINC001465628572 1065755701 /nfs/dbraw/zinc/75/57/01/1065755701.db2.gz ODGOKBSUIOHRID-OAQYLSRUSA-N 1 0 379.504 3.773 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CC1 ZINC001465730192 1065816106 /nfs/dbraw/zinc/81/61/06/1065816106.db2.gz LKPCMLXKLUOECS-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)CC)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300270764 1065896273 /nfs/dbraw/zinc/89/62/73/1065896273.db2.gz FAUDESISEWBEGG-ZJOUEHCJSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300280278 1065914712 /nfs/dbraw/zinc/91/47/12/1065914712.db2.gz AFBWKUMHBBBWJO-XLIONFOSSA-N 1 0 391.519 3.861 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCC[NH+]1CCCC1 ZINC001300282287 1065918968 /nfs/dbraw/zinc/91/89/68/1065918968.db2.gz NXSUTSYABXHEQM-IBGZPJMESA-N 1 0 390.535 3.541 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001300295297 1065945347 /nfs/dbraw/zinc/94/53/47/1065945347.db2.gz FLLKGSFQIWRVLQ-RBUKOAKNSA-N 1 0 390.535 3.642 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300296164 1065947220 /nfs/dbraw/zinc/94/72/20/1065947220.db2.gz SYDLFXSAGUYVFP-PKOBYXMFSA-N 1 0 380.540 3.528 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300302488 1065956300 /nfs/dbraw/zinc/95/63/00/1065956300.db2.gz BKSPOOSZNKMAAP-QGZVFWFLSA-N 1 0 397.592 3.977 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300314776 1065976082 /nfs/dbraw/zinc/97/60/82/1065976082.db2.gz JIRMCWZVBLOTRF-QGZVFWFLSA-N 1 0 385.581 3.653 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001300328163 1065995687 /nfs/dbraw/zinc/99/56/87/1065995687.db2.gz HRUIESGXILLHQR-NLWGTHIKSA-N 1 0 395.551 3.717 20 30 GHEDRO COc1ccc(C)cc1CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745522 1066010514 /nfs/dbraw/zinc/01/05/14/1066010514.db2.gz JJKWBIXWASMNCS-UHFFFAOYSA-N 1 0 392.499 3.895 20 30 GHEDRO CC(C)c1ncncc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746060 1066017023 /nfs/dbraw/zinc/01/70/23/1066017023.db2.gz XGMIAVOAULKDST-UHFFFAOYSA-N 1 0 378.476 3.563 20 30 GHEDRO C[C@H](Oc1ccc(F)cc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746102 1066017456 /nfs/dbraw/zinc/01/74/56/1066017456.db2.gz YTGQWDMOONJVMQ-SFHVURJKSA-N 1 0 396.462 3.942 20 30 GHEDRO COc1ccc(CCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000847745911 1066018938 /nfs/dbraw/zinc/01/89/38/1066018938.db2.gz QUGMMNPLMMQJJX-UHFFFAOYSA-N 1 0 392.499 3.977 20 30 GHEDRO COc1ccc(F)cc1CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747261 1066023353 /nfs/dbraw/zinc/02/33/53/1066023353.db2.gz DTPYWDSXOWIELK-UHFFFAOYSA-N 1 0 396.462 3.726 20 30 GHEDRO C/C(=C\c1ccccn1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747161 1066025403 /nfs/dbraw/zinc/02/54/03/1066025403.db2.gz LSOYHPFGPPNUSU-XDJHFCHBSA-N 1 0 375.472 3.834 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc(OC)c1O ZINC001200376870 1066027568 /nfs/dbraw/zinc/02/75/68/1066027568.db2.gz HHYPUFNKMABXIH-KRWDZBQOSA-N 1 0 378.513 3.768 20 30 GHEDRO N#CC1(COC(=O)/C=C\c2cncc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000847749574 1066035663 /nfs/dbraw/zinc/03/56/63/1066035663.db2.gz UZOJHUHWUYBUSS-SREVYHEPSA-N 1 0 379.435 3.583 20 30 GHEDRO C#CCCCCn1c([C@H]2CCCCO2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001300361298 1066102353 /nfs/dbraw/zinc/10/23/53/1066102353.db2.gz DTECNBCQYBDAGB-HXUWFJFHSA-N 1 0 387.572 3.634 20 30 GHEDRO C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300371792 1066127248 /nfs/dbraw/zinc/12/72/48/1066127248.db2.gz XRLSHRUWPVHPTO-UHFFFAOYSA-N 1 0 393.579 3.834 20 30 GHEDRO Cc1nsc(NC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001466467866 1066165670 /nfs/dbraw/zinc/16/56/70/1066165670.db2.gz QQTHLAVFDBVTMA-KRWDZBQOSA-N 1 0 383.521 3.890 20 30 GHEDRO C#CCCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300398881 1066218312 /nfs/dbraw/zinc/21/83/12/1066218312.db2.gz CICXUCZMWWBGEB-UHFFFAOYSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(C)c1nnc(C(C)(C)C)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300432688 1066316032 /nfs/dbraw/zinc/31/60/32/1066316032.db2.gz NQJLHYLODAKJHY-SJLPKXTDSA-N 1 0 385.581 3.790 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(C#N)n3)cc2)C1 ZINC001466941126 1066403821 /nfs/dbraw/zinc/40/38/21/1066403821.db2.gz PMPROBJKSPBSRW-CALCHBBNSA-N 1 0 377.492 3.753 20 30 GHEDRO COc1cc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)cc1C#N ZINC001467073908 1067050068 /nfs/dbraw/zinc/05/00/68/1067050068.db2.gz CUTJEZRYEQQIFH-HOTGVXAUSA-N 1 0 396.466 3.833 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCc3ccc(C#N)c(F)c3)c2)CC1 ZINC001467571455 1067365491 /nfs/dbraw/zinc/36/54/91/1067365491.db2.gz ZBUKYWADAXQALZ-UHFFFAOYSA-N 1 0 394.494 3.929 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC001467660536 1067404800 /nfs/dbraw/zinc/40/48/00/1067404800.db2.gz RQVUXADBPNJDEJ-QFIPXVFZSA-N 1 0 384.568 3.567 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@]2(C1)OCc1ccccc12)C(C)C ZINC001467660497 1067404824 /nfs/dbraw/zinc/40/48/24/1067404824.db2.gz QQNZPNPASGGROI-VWNXMTODSA-N 1 0 397.563 3.916 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](O)c1ccccc1)C(C)C ZINC001467660598 1067404832 /nfs/dbraw/zinc/40/48/32/1067404832.db2.gz UFRQUEKZZASRLS-BHDDXSALSA-N 1 0 385.552 3.593 20 30 GHEDRO N#CC[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC001467747049 1067449606 /nfs/dbraw/zinc/44/96/06/1067449606.db2.gz WDIJMUCIXIEFGS-ABHNRTSZSA-N 1 0 379.426 3.605 20 30 GHEDRO C#CCSCC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001358372658 1067502983 /nfs/dbraw/zinc/50/29/83/1067502983.db2.gz DZVSCXSETPFLOK-UHFFFAOYSA-N 1 0 380.557 3.923 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001358894272 1067601221 /nfs/dbraw/zinc/60/12/21/1067601221.db2.gz LSDVBFLUEHOZJF-DYESRHJHSA-N 1 0 379.552 3.554 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001358895416 1067601653 /nfs/dbraw/zinc/60/16/53/1067601653.db2.gz IYNCBTHOAORUSZ-UTKZUKDTSA-N 1 0 397.542 3.911 20 30 GHEDRO C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CC[NH+]1CCC(C)CC1 ZINC001358938499 1067621187 /nfs/dbraw/zinc/62/11/87/1067621187.db2.gz CBYFGTTWCYVQOM-OAQYLSRUSA-N 1 0 379.552 3.621 20 30 GHEDRO C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+](CC)C(C)C ZINC001358954228 1067629855 /nfs/dbraw/zinc/62/98/55/1067629855.db2.gz ZNVCPUQVMTYLOI-UHFFFAOYSA-N 1 0 385.581 3.679 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001359000914 1067643301 /nfs/dbraw/zinc/64/33/01/1067643301.db2.gz HEAWZKNGPRARIH-FPOVZHCZSA-N 1 0 379.552 3.621 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001359006414 1067648829 /nfs/dbraw/zinc/64/88/29/1067648829.db2.gz TZEDIHHDOBSBPK-GOSISDBHSA-N 1 0 394.548 3.631 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1CC1([NH+](C)C)CCC1 ZINC001359066886 1067668350 /nfs/dbraw/zinc/66/83/50/1067668350.db2.gz UAVBPKKAGHRGCA-HSZRJFAPSA-N 1 0 391.563 3.984 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)[NH+](C)C ZINC001359107350 1067687087 /nfs/dbraw/zinc/68/70/87/1067687087.db2.gz KBHFGSNTTIZVOL-DLBZAZTESA-N 1 0 389.519 3.910 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001359109144 1067688389 /nfs/dbraw/zinc/68/83/89/1067688389.db2.gz QQZMHZPABBSOTA-LJQANCHMSA-N 1 0 398.511 3.596 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)[NH+](C)C ZINC001359116102 1067694143 /nfs/dbraw/zinc/69/41/43/1067694143.db2.gz XXFPWFXUBKYTST-GOSISDBHSA-N 1 0 380.540 3.634 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359122683 1067697416 /nfs/dbraw/zinc/69/74/16/1067697416.db2.gz NCJXAMLNFLBTFK-UHFFFAOYSA-N 1 0 397.567 3.764 20 30 GHEDRO C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359126283 1067698497 /nfs/dbraw/zinc/69/84/97/1067698497.db2.gz LFVGKLMMBGHLTD-GOSISDBHSA-N 1 0 377.577 3.695 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359162984 1067718359 /nfs/dbraw/zinc/71/83/59/1067718359.db2.gz MVXNLDFCSXISCC-WOJBJXKFSA-N 1 0 394.567 3.865 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001359163770 1067719063 /nfs/dbraw/zinc/71/90/63/1067719063.db2.gz RPVHPLRKAXYGSF-IBGZPJMESA-N 1 0 382.556 3.781 20 30 GHEDRO C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001359167417 1067721441 /nfs/dbraw/zinc/72/14/41/1067721441.db2.gz FPLBMNZBXGKPAP-QFIPXVFZSA-N 1 0 393.579 3.952 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001359176362 1067734296 /nfs/dbraw/zinc/73/42/96/1067734296.db2.gz VITQZXUBNFPHDF-QGZVFWFLSA-N 1 0 390.535 3.846 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1 ZINC000849118641 1067736961 /nfs/dbraw/zinc/73/69/61/1067736961.db2.gz SGSYFLZUVUNTBV-MXVIHJGJSA-N 1 0 378.520 3.844 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001359178095 1067737635 /nfs/dbraw/zinc/73/76/35/1067737635.db2.gz ITBKWXSLZYHNAI-WOJBJXKFSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001359180887 1067742402 /nfs/dbraw/zinc/74/24/02/1067742402.db2.gz WRBLSPTWDDYZSR-QFIPXVFZSA-N 1 0 393.579 3.806 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001359187399 1067752946 /nfs/dbraw/zinc/75/29/46/1067752946.db2.gz MCZGCNDOKGTMSI-GOSISDBHSA-N 1 0 382.556 3.781 20 30 GHEDRO N#Cc1ccc(C(=O)C(C(=S)NCC2CC2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000849175241 1067754678 /nfs/dbraw/zinc/75/46/78/1067754678.db2.gz CSLULFLANUHRLS-UHFFFAOYSA-O 1 0 390.532 3.935 20 30 GHEDRO C=CCCCCn1c(-c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359200587 1067767471 /nfs/dbraw/zinc/76/74/71/1067767471.db2.gz KTKSJYBTDGXCDP-UHFFFAOYSA-N 1 0 395.551 3.602 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359241970 1067852366 /nfs/dbraw/zinc/85/23/66/1067852366.db2.gz KBOFXJHARFFMNI-HXUWFJFHSA-N 1 0 397.567 3.764 20 30 GHEDRO C#CC1(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCC1 ZINC001468834362 1067904678 /nfs/dbraw/zinc/90/46/78/1067904678.db2.gz OIAJACJEJWMONQ-KRWDZBQOSA-N 1 0 379.426 3.525 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359269797 1067935423 /nfs/dbraw/zinc/93/54/23/1067935423.db2.gz PWOJIMQSOCMXFC-LJQANCHMSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001477913548 1078624711 /nfs/dbraw/zinc/62/47/11/1078624711.db2.gz TUACMJRXTYMGOH-UHFFFAOYSA-N 1 0 393.531 3.714 20 30 GHEDRO COc1ccc([C@H](NC(=O)NCC#CC[NH+](C)C)c2ccccc2Cl)c(C)c1 ZINC001478005661 1078667128 /nfs/dbraw/zinc/66/71/28/1078667128.db2.gz VGQJBEYYVPGEFB-NRFANRHFSA-N 1 0 399.922 3.611 20 30 GHEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1CC[NH+]1CCCCCC1 ZINC001359927058 1068263433 /nfs/dbraw/zinc/26/34/33/1068263433.db2.gz MBROZZPJSBIOKE-UHFFFAOYSA-N 1 0 397.571 3.915 20 30 GHEDRO C#CCN(C(=O)NCC[N@@H+](CC)CCC(F)(F)F)[C@H]1CCCc2ccccc21 ZINC001469769081 1068373161 /nfs/dbraw/zinc/37/31/61/1068373161.db2.gz RBQURPKQVVDUQK-IBGZPJMESA-N 1 0 395.469 3.983 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)CC1 ZINC001469887909 1068449207 /nfs/dbraw/zinc/44/92/07/1068449207.db2.gz FHSJTUKFWOOQCX-UHFFFAOYSA-N 1 0 391.918 3.688 20 30 GHEDRO C=C[C@H](COC)NC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001469894337 1068454500 /nfs/dbraw/zinc/45/45/00/1068454500.db2.gz HFBFHJOKYRSYES-YADHBBJMSA-N 1 0 387.568 3.562 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001360468258 1068518200 /nfs/dbraw/zinc/51/82/00/1068518200.db2.gz ZVGYDDZWCOUHJO-QAPCUYQASA-N 1 0 386.519 3.756 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001470124526 1068583508 /nfs/dbraw/zinc/58/35/08/1068583508.db2.gz WXWZUVAAWXGHIS-HSZRJFAPSA-N 1 0 379.504 3.715 20 30 GHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)c1ccco1 ZINC001470134033 1068589360 /nfs/dbraw/zinc/58/93/60/1068589360.db2.gz LVUQYBYTKZMOFW-UZLBHIALSA-N 1 0 380.492 3.543 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001470206370 1068625427 /nfs/dbraw/zinc/62/54/27/1068625427.db2.gz UBRIFJNBONHDRK-UHFFFAOYSA-N 1 0 375.516 3.886 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001478235412 1078778006 /nfs/dbraw/zinc/77/80/06/1078778006.db2.gz JDQKPTCHDLVEMA-XXBNENTESA-N 1 0 375.516 3.768 20 30 GHEDRO Cc1ccccc1[C@H](C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC(C)C ZINC001460088599 1068775336 /nfs/dbraw/zinc/77/53/36/1068775336.db2.gz KJDXCSTVLKLLAU-GMAHTHKFSA-N 1 0 398.595 3.706 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460280295 1068904825 /nfs/dbraw/zinc/90/48/25/1068904825.db2.gz TWNJNQIZWJKACD-DHJUGAMNSA-N 1 0 399.535 3.967 20 30 GHEDRO CC(C)O[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC001460346225 1068935651 /nfs/dbraw/zinc/93/56/51/1068935651.db2.gz YNKFYNZEHWRPCP-HZPDHXFCSA-N 1 0 389.565 3.963 20 30 GHEDRO C=CCCCC[N@@H+](CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460452156 1068968724 /nfs/dbraw/zinc/96/87/24/1068968724.db2.gz SIPHQUIFCNXWEP-SFHVURJKSA-N 1 0 381.561 3.523 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001460485196 1068976471 /nfs/dbraw/zinc/97/64/71/1068976471.db2.gz MXTZYZSLGYEHAG-LJQANCHMSA-N 1 0 381.442 3.865 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001460552223 1068993771 /nfs/dbraw/zinc/99/37/71/1068993771.db2.gz DAIBGNLAETVFDC-QWRGUYRKSA-N 1 0 396.472 3.633 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460572840 1069001523 /nfs/dbraw/zinc/00/15/23/1069001523.db2.gz ZDVZQBZPEBVTIX-SFHVURJKSA-N 1 0 391.298 3.857 20 30 GHEDRO CC[N@H+](CCNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)CCC(F)(F)F ZINC001478423588 1078862892 /nfs/dbraw/zinc/86/28/92/1078862892.db2.gz RQNUIILEMMMWQF-UHFFFAOYSA-N 1 0 396.457 3.722 20 30 GHEDRO OC1(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCCC1 ZINC001460874859 1069243670 /nfs/dbraw/zinc/24/36/70/1069243670.db2.gz IDFMVJODVXOUFG-UWVGGRQHSA-N 1 0 381.307 3.784 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001460968353 1069304941 /nfs/dbraw/zinc/30/49/41/1069304941.db2.gz XLUBWTISIMHUCF-OAHLLOKOSA-N 1 0 382.533 3.990 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](CC)CCC)c1ccc(Br)cc1 ZINC001470406397 1072534377 /nfs/dbraw/zinc/53/43/77/1072534377.db2.gz NOVFLQVVUPAQQR-YOEHRIQHSA-N 1 0 380.330 3.543 20 30 GHEDRO C[C@H](NC(=O)NCC#CC[NH+](C)C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001470725707 1072708532 /nfs/dbraw/zinc/70/85/32/1072708532.db2.gz BZMMDJMHMXLCMI-OALUTQOASA-N 1 0 379.504 3.752 20 30 GHEDRO C#Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001478671387 1078952394 /nfs/dbraw/zinc/95/23/94/1078952394.db2.gz DNEJNOMWYUHFPL-QHCPKHFHSA-N 1 0 375.516 3.769 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC001470785887 1072739302 /nfs/dbraw/zinc/73/93/02/1072739302.db2.gz FBLNWZNYVAOXIX-RTWAWAEBSA-N 1 0 379.589 3.901 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C(F)(F)F)CCCC1 ZINC001470956361 1072845227 /nfs/dbraw/zinc/84/52/27/1072845227.db2.gz PPXYNKKOKLBRJN-UHFFFAOYSA-N 1 0 396.457 3.754 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC001471938619 1073271427 /nfs/dbraw/zinc/27/14/27/1073271427.db2.gz SWCWJXGUMFBPJD-NRFANRHFSA-N 1 0 382.891 3.674 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC001479089451 1079099645 /nfs/dbraw/zinc/09/96/45/1079099645.db2.gz VXJDAXWTAXTHPH-WMZOPIPTSA-N 1 0 383.323 3.931 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc(Br)cc1C#N ZINC001472731884 1073640784 /nfs/dbraw/zinc/64/07/84/1073640784.db2.gz COAIXSJFZIKIIA-GJZGRUSLSA-N 1 0 385.309 3.815 20 30 GHEDRO N#Cc1ccc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(F)c1Br ZINC001472841414 1073689369 /nfs/dbraw/zinc/68/93/69/1073689369.db2.gz LKTATTUILMOSGP-HUUCEWRRSA-N 1 0 394.288 3.515 20 30 GHEDRO CCCCCCCC[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001473400067 1073950204 /nfs/dbraw/zinc/95/02/04/1073950204.db2.gz JECJLXFSSGTJHZ-IBGZPJMESA-N 1 0 395.588 3.891 20 30 GHEDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473437506 1073962591 /nfs/dbraw/zinc/96/25/91/1073962591.db2.gz CIOHSFDTWVHKOB-FQEVSTJZSA-N 1 0 391.899 3.738 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001473440500 1073963200 /nfs/dbraw/zinc/96/32/00/1073963200.db2.gz XFODCBQHZJQYJX-UHFFFAOYSA-N 1 0 399.494 3.994 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2COC(=O)N2CCCCC2)c1 ZINC001473449873 1073968999 /nfs/dbraw/zinc/96/89/99/1073968999.db2.gz TVKFCNNPJZSGTD-HXUWFJFHSA-N 1 0 385.508 3.804 20 30 GHEDRO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)C1 ZINC001473456301 1073973626 /nfs/dbraw/zinc/97/36/26/1073973626.db2.gz ZOVZOBXNBBBFRL-ICSRJNTNSA-N 1 0 385.508 3.660 20 30 GHEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001473488267 1073986282 /nfs/dbraw/zinc/98/62/82/1073986282.db2.gz GHLXPEHTLZNGMA-QFBILLFUSA-N 1 0 377.326 3.953 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001473521636 1073999410 /nfs/dbraw/zinc/99/94/10/1073999410.db2.gz QFLUEWRZYWQCEK-FQEVSTJZSA-N 1 0 385.508 3.850 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CCC2)c1 ZINC001473580752 1074028147 /nfs/dbraw/zinc/02/81/47/1074028147.db2.gz WPJMSXVDFJVDFU-UHFFFAOYSA-N 1 0 381.863 3.638 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1 ZINC001473599338 1074040357 /nfs/dbraw/zinc/04/03/57/1074040357.db2.gz KPHJSLNKRCTOPM-PZJWPPBQSA-N 1 0 384.568 3.601 20 30 GHEDRO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001473609820 1074045787 /nfs/dbraw/zinc/04/57/87/1074045787.db2.gz BVZYLCFKUAXWLQ-HXUWFJFHSA-N 1 0 393.487 3.913 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001473683400 1074084636 /nfs/dbraw/zinc/08/46/36/1074084636.db2.gz ODJOTQMIVYSOQE-LJQANCHMSA-N 1 0 384.524 3.834 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC001473782347 1074139972 /nfs/dbraw/zinc/13/99/72/1074139972.db2.gz PCDTYIGKBJTVOR-VKJFTORMSA-N 1 0 387.549 3.717 20 30 GHEDRO C=CCC1(O)CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC001473808313 1074153908 /nfs/dbraw/zinc/15/39/08/1074153908.db2.gz DGIRXAJRYUCRED-INIZCTEOSA-N 1 0 385.533 3.849 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC001473824854 1074161615 /nfs/dbraw/zinc/16/16/15/1074161615.db2.gz UUHSCHOIYYSVHE-OALUTQOASA-N 1 0 396.560 3.960 20 30 GHEDRO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001473838971 1074167841 /nfs/dbraw/zinc/16/78/41/1074167841.db2.gz ONOVXSYTBJBTRI-MRXNPFEDSA-N 1 0 379.529 3.773 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001473935642 1074210144 /nfs/dbraw/zinc/21/01/44/1074210144.db2.gz MTYGUTMIYRPNKV-IAGOWNOFSA-N 1 0 393.369 3.919 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)NCC#CC[NH+](C)C ZINC001479623430 1079241400 /nfs/dbraw/zinc/24/14/00/1079241400.db2.gz QAKPQTAXHQWPHT-QGZVFWFLSA-N 1 0 384.549 3.694 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1Cl ZINC001474232258 1074302158 /nfs/dbraw/zinc/30/21/58/1074302158.db2.gz CKXMAHQXZYWROD-INIZCTEOSA-N 1 0 396.915 3.630 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)cc1 ZINC001474517477 1074444933 /nfs/dbraw/zinc/44/49/33/1074444933.db2.gz UDBNHWPWLJXJIS-INIZCTEOSA-N 1 0 382.460 3.545 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001493740740 1079290921 /nfs/dbraw/zinc/29/09/21/1079290921.db2.gz PZYJRHUGXVHAET-IBGZPJMESA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001493786649 1079297242 /nfs/dbraw/zinc/29/72/42/1079297242.db2.gz YBUGTBPTWZYPET-RBUKOAKNSA-N 1 0 395.555 3.591 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)cc1 ZINC001474960679 1074653995 /nfs/dbraw/zinc/65/39/95/1074653995.db2.gz DBFWEWKPYAJSQT-SFHVURJKSA-N 1 0 378.582 3.984 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2cccc(C#N)c2)c1 ZINC001475066447 1074720118 /nfs/dbraw/zinc/72/01/18/1074720118.db2.gz OLIIZAFDURSTRD-UHFFFAOYSA-N 1 0 385.533 3.659 20 30 GHEDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)ccc1C#N ZINC001475272855 1074816842 /nfs/dbraw/zinc/81/68/42/1074816842.db2.gz DCKKUNZYPNSHMR-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCSC1 ZINC001475848105 1075033363 /nfs/dbraw/zinc/03/33/63/1075033363.db2.gz IZKIOEVSULWTAC-JOCHJYFZSA-N 1 0 379.529 3.645 20 30 GHEDRO C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCC1(C)C ZINC001475954298 1075056384 /nfs/dbraw/zinc/05/63/84/1075056384.db2.gz BTJCBOGZJVBPBZ-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001476056487 1075076504 /nfs/dbraw/zinc/07/65/04/1075076504.db2.gz FCXNDHWHZSISQB-UHFFFAOYSA-N 1 0 391.475 3.908 20 30 GHEDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC001476101102 1075084990 /nfs/dbraw/zinc/08/49/90/1075084990.db2.gz TWMGDBMXXLPFFU-CZUORRHYSA-N 1 0 380.439 3.744 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccnc1 ZINC001476126118 1075089411 /nfs/dbraw/zinc/08/94/11/1075089411.db2.gz LTQLSZSJMNLQNB-QHCPKHFHSA-N 1 0 399.498 3.691 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC001476150219 1075095896 /nfs/dbraw/zinc/09/58/96/1075095896.db2.gz CTCWMAYVQJSIDP-JOCHJYFZSA-N 1 0 395.503 3.910 20 30 GHEDRO CC[C@H](C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+]1CC=CCC1 ZINC001496073675 1079453047 /nfs/dbraw/zinc/45/30/47/1079453047.db2.gz ICDMERQECZKBPL-IBGZPJMESA-N 1 0 392.551 3.951 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001497836730 1079519269 /nfs/dbraw/zinc/51/92/69/1079519269.db2.gz RLFRMSHSGZFTSM-QZTJIDSGSA-N 1 0 380.540 3.588 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C(=O)[O-])cc1 ZINC000739106403 600598438 /nfs/dbraw/zinc/59/84/38/600598438.db2.gz MBDLASUNGOBKHR-JOCHJYFZSA-N 1 0 377.488 3.850 20 30 GHEDRO CC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000821215727 606887062 /nfs/dbraw/zinc/88/70/62/606887062.db2.gz SHCJCEBLPHBFOJ-MRXNPFEDSA-N 1 0 376.464 3.590 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(F)c1 ZINC000826385010 608311131 /nfs/dbraw/zinc/31/11/31/608311131.db2.gz TZVDKZUSLMKNRE-UHFFFAOYSA-N 1 0 384.418 3.834 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621274 719045013 /nfs/dbraw/zinc/04/50/13/719045013.db2.gz IEJCOFFXXKBHBX-LPHOPBHVSA-N 1 0 388.849 3.735 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cnc1Cl ZINC001164628730 719046309 /nfs/dbraw/zinc/04/63/09/719046309.db2.gz ZNLLLFMDSUHPNJ-IEBWSBKVSA-N 1 0 388.849 3.735 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(c1ncccc1C[NH+]1CCCC1)[C@@H]2CC ZINC001164704580 719824286 /nfs/dbraw/zinc/82/42/86/719824286.db2.gz ZPHMHGDUTGSWFB-OFNKIYASSA-N 1 0 382.552 3.603 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C#N)cc(Cl)n3)C[C@@H]21 ZINC001165023357 721797859 /nfs/dbraw/zinc/79/78/59/721797859.db2.gz JPUBCMBUOBFJRM-YTQUADARSA-N 1 0 381.911 3.739 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049973 721968087 /nfs/dbraw/zinc/96/80/87/721968087.db2.gz WXVVXYMXZZPLOT-INIZCTEOSA-N 1 0 390.915 3.628 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(O)cc(C(F)(F)F)c3)C2=O)cc1 ZINC000580604161 837385082 /nfs/dbraw/zinc/38/50/82/837385082.db2.gz MWRRGWKDSSSBFP-GOSISDBHSA-N 1 0 389.377 3.568 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(C#N)cc1 ZINC000579928714 837385487 /nfs/dbraw/zinc/38/54/87/837385487.db2.gz BFLOJDJYNDYNQQ-FZKQIMNGSA-N 1 0 384.277 3.777 20 30 GHEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000472597107 837396605 /nfs/dbraw/zinc/39/66/05/837396605.db2.gz BDDRQBWICBAMGV-FXAWDEMLSA-N 1 0 379.508 3.877 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc2c(c1)OCCO2 ZINC000180644498 837421024 /nfs/dbraw/zinc/42/10/24/837421024.db2.gz ZVWWUBKRVICJOW-GUYCJALGSA-N 1 0 383.448 3.607 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000580920078 837428987 /nfs/dbraw/zinc/42/89/87/837428987.db2.gz SXEJYYOWIVQDEV-UHFFFAOYSA-N 1 0 398.894 3.536 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000471394626 837546611 /nfs/dbraw/zinc/54/66/11/837546611.db2.gz QIINOIKWYSPJTD-UHFFFAOYSA-N 1 0 377.488 3.780 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cc2)C1 ZINC000173341029 837691951 /nfs/dbraw/zinc/69/19/51/837691951.db2.gz YURMTTZXHDXDFB-QZTJIDSGSA-N 1 0 394.523 3.596 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)c1C#N ZINC000066534922 837703142 /nfs/dbraw/zinc/70/31/42/837703142.db2.gz SQFMYKABRKVWCW-FQEVSTJZSA-N 1 0 397.567 3.590 20 30 GHEDRO CCC(CC)(CNC(=O)Nc1ccn(CCC#N)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000173370020 837711920 /nfs/dbraw/zinc/71/19/20/837711920.db2.gz MLXVALLZBOMJIK-KRWDZBQOSA-N 1 0 382.512 3.828 20 30 GHEDRO Cn1c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc2cc(Cl)ccc21 ZINC000052409048 834556779 /nfs/dbraw/zinc/55/67/79/834556779.db2.gz NLVZCKTVOWRFIK-UHFFFAOYSA-N 1 0 393.922 3.806 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000052409038 834567010 /nfs/dbraw/zinc/56/70/10/834567010.db2.gz KFOWBLKVKGOECV-UHFFFAOYSA-N 1 0 396.922 3.748 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565048764 834623037 /nfs/dbraw/zinc/62/30/37/834623037.db2.gz MNVLSNODBIHDMO-MOPGFXCFSA-N 1 0 377.598 3.623 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccccc2)cc1OC ZINC000480372084 834632494 /nfs/dbraw/zinc/63/24/94/834632494.db2.gz XCURWFUTXQQQLB-NRFANRHFSA-N 1 0 375.472 3.988 20 30 GHEDRO COc1cc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)ccc1C#N ZINC000558494481 834756035 /nfs/dbraw/zinc/75/60/35/834756035.db2.gz QARFSNAXITXRBW-UHFFFAOYSA-N 1 0 382.414 3.937 20 30 GHEDRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N[C@H]1CCCc2ccccc21 ZINC000329388749 834954024 /nfs/dbraw/zinc/95/40/24/834954024.db2.gz UFPVTXARMSFURC-CTNGQTDRSA-N 1 0 383.536 3.745 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000415585813 837830279 /nfs/dbraw/zinc/83/02/79/837830279.db2.gz XQKGYPPQLPVPIC-MSOLQXFVSA-N 1 0 383.471 3.603 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000140648503 835061090 /nfs/dbraw/zinc/06/10/90/835061090.db2.gz MHHUETNLCMMIBU-LSTHTHJFSA-N 1 0 392.503 3.749 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000583840622 835129646 /nfs/dbraw/zinc/12/96/46/835129646.db2.gz HDAVKKMRLYXTMY-UHFFFAOYSA-N 1 0 377.492 3.825 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172585533 835136147 /nfs/dbraw/zinc/13/61/47/835136147.db2.gz MRTYRTHIQIEYCP-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329561863 835253503 /nfs/dbraw/zinc/25/35/03/835253503.db2.gz JJROBVIUBVICLE-DLBZAZTESA-N 1 0 393.413 3.653 20 30 GHEDRO C=C[C@@H](CC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000536166484 835280174 /nfs/dbraw/zinc/28/01/74/835280174.db2.gz SDVKSJYYXRBVPT-XUZZJYLKSA-N 1 0 391.559 3.841 20 30 GHEDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1nc2c(s1)COCC2 ZINC000329579147 835283076 /nfs/dbraw/zinc/28/30/76/835283076.db2.gz UCWZYAORHJGWRM-UHFFFAOYSA-N 1 0 386.521 3.728 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000583968971 835319622 /nfs/dbraw/zinc/31/96/22/835319622.db2.gz IJHJLGMHQJVPFF-JXFKEZNVSA-N 1 0 386.455 3.779 20 30 GHEDRO Cc1c(Cl)cnc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N ZINC000612085077 835472490 /nfs/dbraw/zinc/47/24/90/835472490.db2.gz QHDHDVFORDUNMA-HUUCEWRRSA-N 1 0 376.932 3.631 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@@H]1C ZINC000161993849 835484976 /nfs/dbraw/zinc/48/49/76/835484976.db2.gz PSMOTAKUWSNMHY-JAACCIHXSA-N 1 0 385.508 3.601 20 30 GHEDRO CCC(CC)[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)[NH+]1CCCC1 ZINC000278587419 835490611 /nfs/dbraw/zinc/49/06/11/835490611.db2.gz GPEIDYDMLYESQS-QFIPXVFZSA-N 1 0 394.567 3.849 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N[C@H](C#N)c1cccc(Br)c1)c1ccccc1 ZINC000433369932 844057077 /nfs/dbraw/zinc/05/70/77/844057077.db2.gz BBIUECRAVOIGFX-MSOLQXFVSA-N 1 0 386.293 3.823 20 30 GHEDRO C=C[C@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248385562 835508958 /nfs/dbraw/zinc/50/89/58/835508958.db2.gz JAWHJGAZBSFJML-XXBNENTESA-N 1 0 378.516 3.619 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000647376125 835511303 /nfs/dbraw/zinc/51/13/03/835511303.db2.gz NJRHHMOQFHDNDS-MSOLQXFVSA-N 1 0 389.588 3.693 20 30 GHEDRO CCN(C(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000052801166 835578098 /nfs/dbraw/zinc/57/80/98/835578098.db2.gz KUPMLANOONASFC-LJQANCHMSA-N 1 0 376.504 3.512 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[NH+]3CCC(C(=O)NC4CCCCC4)CC3)n2)cc1 ZINC000748084702 835584466 /nfs/dbraw/zinc/58/44/66/835584466.db2.gz SHBAUDKQDXNJCX-UHFFFAOYSA-N 1 0 391.519 3.540 20 30 GHEDRO Cc1cc2ncc(C(=O)Nc3cccc(CN4C[C@@H](C)O[C@H](C)C4)c3)c(C)n2n1 ZINC000329675023 835649735 /nfs/dbraw/zinc/64/97/35/835649735.db2.gz OWAKGXXRYUWLQB-HZPDHXFCSA-N 1 0 393.491 3.592 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(F)cc1C#N ZINC000179402869 835667727 /nfs/dbraw/zinc/66/77/27/835667727.db2.gz IKXKHIQOMQSMOP-UHFFFAOYSA-N 1 0 381.455 3.863 20 30 GHEDRO Cc1cc(C)c(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccccc2)cc1C ZINC000134201777 835703731 /nfs/dbraw/zinc/70/37/31/835703731.db2.gz CKADQFMKWARZSZ-IBGZPJMESA-O 1 0 397.564 3.997 20 30 GHEDRO COc1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1OCCCC#N ZINC000179635440 835708321 /nfs/dbraw/zinc/70/83/21/835708321.db2.gz BGWAWTTXIITPIF-GOSISDBHSA-N 1 0 382.460 3.650 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@H]2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000647403282 835728824 /nfs/dbraw/zinc/72/88/24/835728824.db2.gz HCXJCXDYGHYFDN-ICSRJNTNSA-N 1 0 389.588 3.695 20 30 GHEDRO Cc1ccc(OCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(C)c1 ZINC000584209789 835762056 /nfs/dbraw/zinc/76/20/56/835762056.db2.gz XIIBWGDGIVLYGB-UHFFFAOYSA-N 1 0 375.476 3.644 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c(-c2ccncc2)n1 ZINC000584261768 835813317 /nfs/dbraw/zinc/81/33/17/835813317.db2.gz UEDQCZNACDPWRT-YADHBBJMSA-N 1 0 387.487 3.869 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000179516886 835850491 /nfs/dbraw/zinc/85/04/91/835850491.db2.gz JKRLGGXRTWYNKA-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000549681323 844102230 /nfs/dbraw/zinc/10/22/30/844102230.db2.gz MVUYQEXCEINGNI-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000573210568 835934705 /nfs/dbraw/zinc/93/47/05/835934705.db2.gz MSBOFPKPNGEXAU-QHCPKHFHSA-N 1 0 390.487 3.955 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 ZINC000179685847 835941451 /nfs/dbraw/zinc/94/14/51/835941451.db2.gz KNSBKOQMOFNSID-KRWDZBQOSA-N 1 0 386.455 3.822 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC000413667823 836036852 /nfs/dbraw/zinc/03/68/52/836036852.db2.gz IRRHESMBBVKWRB-ZRBLBEILSA-N 1 0 389.499 3.624 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC000451978639 836101768 /nfs/dbraw/zinc/10/17/68/836101768.db2.gz PUJDAZUZJIQIST-UHFFFAOYSA-N 1 0 395.887 3.889 20 30 GHEDRO C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000612372276 836129951 /nfs/dbraw/zinc/12/99/51/836129951.db2.gz NOSZFCBNZZHSOF-HKUYNNGSSA-N 1 0 394.441 3.615 20 30 GHEDRO C=CC[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1 ZINC000275080385 836154523 /nfs/dbraw/zinc/15/45/23/836154523.db2.gz XXXKLWBGCQMYTL-OAQYLSRUSA-N 1 0 378.520 3.910 20 30 GHEDRO C=CCCCC[N@H+]1CC2(C[C@@H]1C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC2 ZINC001209200053 836156106 /nfs/dbraw/zinc/15/61/06/836156106.db2.gz AEEFRIGGPWTMCE-GOSISDBHSA-N 1 0 394.556 3.997 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[C@H](C)C1 ZINC000471240647 836207063 /nfs/dbraw/zinc/20/70/63/836207063.db2.gz AIEFUFKNLABGQA-IIBYNOLFSA-N 1 0 399.583 3.692 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](Cc3ccncc3)C1)CCCC2 ZINC000612432161 836214904 /nfs/dbraw/zinc/21/49/04/836214904.db2.gz KILMOEQGPILTHS-KRWDZBQOSA-N 1 0 394.544 3.787 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176109312 844141210 /nfs/dbraw/zinc/14/12/10/844141210.db2.gz RLWJASCJBRHZBG-YLJYHZDGSA-N 1 0 379.529 3.820 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(Cl)cc1 ZINC000065930478 836254434 /nfs/dbraw/zinc/25/44/34/836254434.db2.gz GYKIMJWNEAVKFP-UHFFFAOYSA-N 1 0 385.895 3.571 20 30 GHEDRO Cc1cccc(C)c1OCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930590 836254994 /nfs/dbraw/zinc/25/49/94/836254994.db2.gz KZMSHTIBXGVQSV-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000471969261 844152361 /nfs/dbraw/zinc/15/23/61/844152361.db2.gz RNRRUDOMWSPUES-DHIUTWEWSA-N 1 0 386.499 3.502 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000613426183 836356106 /nfs/dbraw/zinc/35/61/06/836356106.db2.gz SZHILOKONRZJQC-PMACEKPBSA-N 1 0 378.520 3.546 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000414169014 836384956 /nfs/dbraw/zinc/38/49/56/836384956.db2.gz ASNUHOVMJRJJGK-CZUORRHYSA-N 1 0 391.284 3.962 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000610246667 836397953 /nfs/dbraw/zinc/39/79/53/836397953.db2.gz TZGLVASQSJXRBS-UHFFFAOYSA-N 1 0 392.453 3.926 20 30 GHEDRO Cn1cc(CN2CCN(c3cc(F)ccc3F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180154840 836418260 /nfs/dbraw/zinc/41/82/60/836418260.db2.gz SLDGFHCDRZXCPO-UHFFFAOYSA-N 1 0 393.441 3.559 20 30 GHEDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1)c1ccccc1 ZINC000430306303 836430622 /nfs/dbraw/zinc/43/06/22/836430622.db2.gz OQEVAABZXNMYPP-QGZVFWFLSA-N 1 0 398.304 3.806 20 30 GHEDRO Cc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1NC(=O)c1ccccc1F ZINC000328650224 836544875 /nfs/dbraw/zinc/54/48/75/836544875.db2.gz IZYXTRCQDVPWMP-INIZCTEOSA-N 1 0 381.451 3.691 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000179999423 836569007 /nfs/dbraw/zinc/56/90/07/836569007.db2.gz FQOBUXIHIFRPSB-UXHICEINSA-N 1 0 378.432 3.703 20 30 GHEDRO C=CCCCCCCCC[NH+]1CCC2(CN(CCOC)C(=O)[C@H]2COC)CC1 ZINC001209443960 836576904 /nfs/dbraw/zinc/57/69/04/836576904.db2.gz IPUMJEZOVVJXPT-OAQYLSRUSA-N 1 0 394.600 3.737 20 30 GHEDRO COc1ccccc1/C(C)=C/C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000066641251 836590400 /nfs/dbraw/zinc/59/04/00/836590400.db2.gz POBUIRKIXKUGTA-NBVRZTHBSA-N 1 0 377.488 3.561 20 30 GHEDRO CN(CC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000728930448 844183897 /nfs/dbraw/zinc/18/38/97/844183897.db2.gz OYIXIKWSDIVMJN-UHFFFAOYSA-N 1 0 387.524 3.906 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)ccc1OC ZINC000431672241 836659099 /nfs/dbraw/zinc/65/90/99/836659099.db2.gz YCDFFNOTQSZJIM-MJGOQNOKSA-N 1 0 399.491 3.920 20 30 GHEDRO O=C(Nc1cccc(OCc2cscn2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328658663 836700395 /nfs/dbraw/zinc/70/03/95/836700395.db2.gz RLTJRSNOXGYIHW-SFHVURJKSA-N 1 0 386.521 3.828 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167160354 836732338 /nfs/dbraw/zinc/73/23/38/836732338.db2.gz NIBGGBBLMQVNSN-UHFFFAOYSA-N 1 0 389.890 3.796 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180027292 836753560 /nfs/dbraw/zinc/75/35/60/836753560.db2.gz HEZGPOXJHFJOQM-FQEVSTJZSA-N 1 0 391.544 3.947 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000658931406 836785869 /nfs/dbraw/zinc/78/58/69/836785869.db2.gz SWKJLJVECGKIQK-RYUDHWBXSA-N 1 0 398.322 3.658 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000119746921 836940741 /nfs/dbraw/zinc/94/07/41/836940741.db2.gz HLBPELDPJWDOHS-GOSISDBHSA-N 1 0 386.540 3.966 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1cccc(CO)c1 ZINC000027327277 837043191 /nfs/dbraw/zinc/04/31/91/837043191.db2.gz NRFKIQFYFCOUON-UHFFFAOYSA-O 1 0 383.946 3.510 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180350638 837169123 /nfs/dbraw/zinc/16/91/23/837169123.db2.gz AHHBRYHGAPYTIO-IBGZPJMESA-N 1 0 384.842 3.574 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000188623901 837193942 /nfs/dbraw/zinc/19/39/42/837193942.db2.gz FOOOEFLGVLYVTP-UYAOXDASSA-N 1 0 395.469 3.596 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)ccc1OCC(C)C ZINC000180093889 837315377 /nfs/dbraw/zinc/31/53/77/837315377.db2.gz CZBDQPANCIBGNG-CQSZACIVSA-N 1 0 387.505 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000376455361 837357803 /nfs/dbraw/zinc/35/78/03/837357803.db2.gz QFVPOGQPWYNVFI-QFIPXVFZSA-N 1 0 391.556 3.810 20 30 GHEDRO C[NH+](C)CC(C)(C)CN(C(=O)CC(C)(C)C#N)c1ccc(Br)cn1 ZINC000415608623 837880189 /nfs/dbraw/zinc/88/01/89/837880189.db2.gz LXVOBSKILDAWJY-UHFFFAOYSA-N 1 0 395.345 3.705 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c(C#N)c1C ZINC000177349851 837914837 /nfs/dbraw/zinc/91/48/37/837914837.db2.gz IAUXHDHGRGILSU-FQEVSTJZSA-N 1 0 397.544 3.937 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(-c2ccc(C#N)cc2)n1 ZINC000181556592 837956822 /nfs/dbraw/zinc/95/68/22/837956822.db2.gz HZBZQQXQRIAYCA-UHFFFAOYSA-N 1 0 378.863 3.837 20 30 GHEDRO CCOc1c(Cl)cccc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000188884335 837973932 /nfs/dbraw/zinc/97/39/32/837973932.db2.gz MYVMZNWCPANLJY-UHFFFAOYSA-N 1 0 399.922 3.743 20 30 GHEDRO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1C(F)(F)F ZINC000414431930 838035530 /nfs/dbraw/zinc/03/55/30/838035530.db2.gz IKAOYCDHMKJBDF-IBGZPJMESA-N 1 0 387.405 3.776 20 30 GHEDRO C=CCC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000655920862 838218559 /nfs/dbraw/zinc/21/85/59/838218559.db2.gz LIPXUEHFYQTKKK-OLZOCXBDSA-N 1 0 383.336 3.902 20 30 GHEDRO N#Cc1ccc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])c1 ZINC000535687171 844308211 /nfs/dbraw/zinc/30/82/11/844308211.db2.gz SJGQJIXFIGTBCN-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181415020 838278131 /nfs/dbraw/zinc/27/81/31/838278131.db2.gz JFVDMKJSCHLCPE-KRWDZBQOSA-N 1 0 379.504 3.891 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000415950254 838305479 /nfs/dbraw/zinc/30/54/79/838305479.db2.gz HFMKYQCSIHKUSZ-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000376595743 838416440 /nfs/dbraw/zinc/41/64/40/838416440.db2.gz QNEVBUPNJJBWLZ-HXUWFJFHSA-N 1 0 387.483 3.532 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000376596779 838424747 /nfs/dbraw/zinc/42/47/47/838424747.db2.gz WWOCXLABNRFZJR-MRXNPFEDSA-N 1 0 382.895 3.928 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000510312694 838518576 /nfs/dbraw/zinc/51/85/76/838518576.db2.gz BHRPAFCDDKHJIZ-UHFFFAOYSA-N 1 0 381.314 3.536 20 30 GHEDRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000610349773 838605855 /nfs/dbraw/zinc/60/58/55/838605855.db2.gz ZHEYCTMPRGXQDU-MRXNPFEDSA-N 1 0 382.533 3.892 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CCO)C2CCCCC2)sc2c1CCCC2 ZINC000181510940 838629468 /nfs/dbraw/zinc/62/94/68/838629468.db2.gz LTGIXXKFNNECGN-SFHVURJKSA-N 1 0 389.565 3.748 20 30 GHEDRO N#CC1(c2ccccn2)CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000376737610 838673628 /nfs/dbraw/zinc/67/36/28/838673628.db2.gz BBKQUTWGSWMVJL-UHFFFAOYSA-N 1 0 377.879 3.978 20 30 GHEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610371903 838744051 /nfs/dbraw/zinc/74/40/51/838744051.db2.gz RZDIYOSAKRRTTG-FYYLOGMGSA-N 1 0 384.495 3.831 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000893201106 838837452 /nfs/dbraw/zinc/83/74/52/838837452.db2.gz WNLLOGMHHQFRKD-CRAIPNDOSA-N 1 0 388.562 3.906 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC001125872861 838876509 /nfs/dbraw/zinc/87/65/09/838876509.db2.gz XXQIBTYYVISLJP-UHFFFAOYSA-N 1 0 388.458 3.663 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[NH+](CC)CC)cc1 ZINC000048159622 844385585 /nfs/dbraw/zinc/38/55/85/844385585.db2.gz LVQFHVPZQLWDPZ-UHFFFAOYSA-N 1 0 394.519 3.766 20 30 GHEDRO Cn1cc([C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC23CCOCC3)cn1 ZINC000580156711 838980370 /nfs/dbraw/zinc/98/03/70/838980370.db2.gz UGZQQLHNEWCYKY-NRFANRHFSA-N 1 0 378.520 3.617 20 30 GHEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000580179171 839013236 /nfs/dbraw/zinc/01/32/36/839013236.db2.gz IBTAFSJMADWSRW-UHFFFAOYSA-N 1 0 377.945 3.552 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)CNc3ccc(C#N)cc3)cc2)CC1 ZINC000050028865 839040617 /nfs/dbraw/zinc/04/06/17/839040617.db2.gz IFQUMGQUNQLQBB-UHFFFAOYSA-N 1 0 376.504 3.518 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)c(N(Cc2ccccc2)C2(C[NH3+])COC2)c1Cl ZINC001167368734 839073138 /nfs/dbraw/zinc/07/31/38/839073138.db2.gz YXNOYKRXDYHEPQ-UHFFFAOYSA-N 1 0 397.693 3.648 20 30 GHEDRO C[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C#N)cc1 ZINC000549170636 839143813 /nfs/dbraw/zinc/14/38/13/839143813.db2.gz AZZRSVSYVOOMHU-OAHLLOKOSA-N 1 0 377.469 3.571 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000416399479 839146802 /nfs/dbraw/zinc/14/68/02/839146802.db2.gz OVNGEORUGBXMMT-UXHICEINSA-N 1 0 378.476 3.665 20 30 GHEDRO CC1(C)CN(C(=O)NCC2(C#N)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000580284978 839175455 /nfs/dbraw/zinc/17/54/55/839175455.db2.gz ASVXHLKGIQOSTB-FQEVSTJZSA-N 1 0 380.536 3.622 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415090531 839181081 /nfs/dbraw/zinc/18/10/81/839181081.db2.gz XUBASOBWHJLXSZ-RDJZCZTQSA-N 1 0 380.448 3.751 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415090529 839181448 /nfs/dbraw/zinc/18/14/48/839181448.db2.gz XUBASOBWHJLXSZ-DOTOQJQBSA-N 1 0 380.448 3.751 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378483898 839206247 /nfs/dbraw/zinc/20/62/47/839206247.db2.gz RPHHKQSILCJGAS-ICSRJNTNSA-N 1 0 395.453 3.743 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000580298131 839302242 /nfs/dbraw/zinc/30/22/42/839302242.db2.gz NUKZGKRHTBKAAT-OAQYLSRUSA-N 1 0 399.560 3.961 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000328713512 839311341 /nfs/dbraw/zinc/31/13/41/839311341.db2.gz CAUYHSVBAVGDOS-VQIMIIECSA-N 1 0 386.540 3.962 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000580444853 839568356 /nfs/dbraw/zinc/56/83/56/839568356.db2.gz XFGWYSUMXDKUHZ-UHFFFAOYSA-N 1 0 393.457 3.670 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000549271724 839737111 /nfs/dbraw/zinc/73/71/11/839737111.db2.gz QPNLTYUOCRQLNB-HXUWFJFHSA-N 1 0 383.540 3.518 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549274960 839752551 /nfs/dbraw/zinc/75/25/51/839752551.db2.gz SVRVFWXFMAHYLG-QGZVFWFLSA-N 1 0 387.503 3.664 20 30 GHEDRO COc1ccc(C#N)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160545947 839802687 /nfs/dbraw/zinc/80/26/87/839802687.db2.gz WHRANYWXJUPMAE-DFNIBXOVSA-N 1 0 385.508 3.929 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000580689803 840018430 /nfs/dbraw/zinc/01/84/30/840018430.db2.gz LYEZMXZTHCPLKS-AGILITTLSA-N 1 0 394.515 3.781 20 30 GHEDRO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C)c1ccc(C#N)cc1 ZINC000610458757 840102176 /nfs/dbraw/zinc/10/21/76/840102176.db2.gz ROYWIDSQYUSRGR-MOPGFXCFSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000068884906 840208961 /nfs/dbraw/zinc/20/89/61/840208961.db2.gz NQCAHVPHYHEODL-OAQYLSRUSA-N 1 0 380.467 3.698 20 30 GHEDRO CCS[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000175871063 840250841 /nfs/dbraw/zinc/25/08/41/840250841.db2.gz HOLQYOJNSPWPQG-VQTJNVASSA-N 1 0 388.581 3.696 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934012117 844526345 /nfs/dbraw/zinc/52/63/45/844526345.db2.gz SZKHVUSZTGHTHM-WBVHZDCISA-N 1 0 375.538 3.550 20 30 GHEDRO [NH2+]=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000160671817 840373198 /nfs/dbraw/zinc/37/31/98/840373198.db2.gz NRZYNLBREILWOG-CQSZACIVSA-N 1 0 378.398 3.838 20 30 GHEDRO COc1cc2c(c(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)c1)O[C@@H](C)C2 ZINC000609466637 840458820 /nfs/dbraw/zinc/45/88/20/840458820.db2.gz WWFBMMSRZZJUQH-KXBFYZLASA-N 1 0 395.478 3.788 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511675591 840500722 /nfs/dbraw/zinc/50/07/22/840500722.db2.gz PHPBUEMQKOQYGQ-HNNXBMFYSA-N 1 0 391.353 3.567 20 30 GHEDRO C=CCC[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccccc1 ZINC000155964014 840593483 /nfs/dbraw/zinc/59/34/83/840593483.db2.gz WMFHNVJMRSRPQC-IBGZPJMESA-N 1 0 380.492 3.676 20 30 GHEDRO Cc1ccc([C@H](c2nc(-c3ccc(C#N)c(C)c3)no2)N2CCC([NH3+])CC2)cc1 ZINC001211828974 844557260 /nfs/dbraw/zinc/55/72/60/844557260.db2.gz GEBJVJLOTGYYDH-OAQYLSRUSA-N 1 0 387.487 3.738 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000584710588 840634135 /nfs/dbraw/zinc/63/41/35/840634135.db2.gz FHHAZNQXUPBYTO-GHTZIAJQSA-N 1 0 379.552 3.906 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000432080089 840641230 /nfs/dbraw/zinc/64/12/30/840641230.db2.gz MZWGKIJVOMDVOW-UHFFFAOYSA-N 1 0 390.487 3.829 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCc3ccc(C#N)cc3)C2)s1 ZINC000581062835 840657978 /nfs/dbraw/zinc/65/79/78/840657978.db2.gz OJYBPVPDSPHIJQ-FQEVSTJZSA-N 1 0 381.545 3.841 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417362525 840769006 /nfs/dbraw/zinc/76/90/06/840769006.db2.gz ADCSYZWPBOHGNF-XOBRGWDASA-N 1 0 378.432 3.851 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000660204296 840816162 /nfs/dbraw/zinc/81/61/62/840816162.db2.gz ITHKQKHWPCLYPK-OAHLLOKOSA-N 1 0 388.411 3.743 20 30 GHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000581246199 840936763 /nfs/dbraw/zinc/93/67/63/840936763.db2.gz LKNZAIDRDUJILR-KSSFIOAISA-N 1 0 378.394 3.538 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)c1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 ZINC000162437295 840990616 /nfs/dbraw/zinc/99/06/16/840990616.db2.gz SJNXKKHEBUCFBU-UHFFFAOYSA-N 1 0 390.409 3.961 20 30 GHEDRO COc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCC[NH+](C)C ZINC000417657805 841108915 /nfs/dbraw/zinc/10/89/15/841108915.db2.gz WGXVRJUJSUYEQN-IBGZPJMESA-N 1 0 396.491 3.802 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478197 841145579 /nfs/dbraw/zinc/14/55/79/841145579.db2.gz VHRKXZOQUVJDAY-NDXORKPFSA-N 1 0 393.522 3.891 20 30 GHEDRO O=[N+]([O-])c1ccccc1CN(CC#Cc1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 ZINC000592133499 841198316 /nfs/dbraw/zinc/19/83/16/841198316.db2.gz WLVCCLPDPLYGDD-MEMLXQNLSA-N 1 0 382.435 3.891 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(c3c(C#N)cnc4ccccc43)CC2)C[C@H](C)O1 ZINC000301570436 841209036 /nfs/dbraw/zinc/20/90/36/841209036.db2.gz QYTBKWPYKFEMSZ-ROUUACIJSA-N 1 0 378.520 3.822 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC[C@@H]2CCCO2)c1 ZINC000027072421 841228651 /nfs/dbraw/zinc/22/86/51/841228651.db2.gz MKSCSOZRUHCCOL-KRWDZBQOSA-O 1 0 395.504 3.736 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1 ZINC000536224108 841281998 /nfs/dbraw/zinc/28/19/98/841281998.db2.gz DCGZPJPOKYLMFD-SFHVURJKSA-N 1 0 378.520 3.910 20 30 GHEDRO C=CCC[C@H](NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417930754 841285621 /nfs/dbraw/zinc/28/56/21/841285621.db2.gz KPIQWVYHNBWNKF-NUJGCVRESA-N 1 0 381.442 3.964 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]CC2(CN3CCOCC3)CCCCC2)c1 ZINC000177597288 861200022 /nfs/dbraw/zinc/20/00/22/861200022.db2.gz NWHRMDVIUMTSPF-UHFFFAOYSA-N 1 0 385.552 3.741 20 30 GHEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599429651 861201962 /nfs/dbraw/zinc/20/19/62/861201962.db2.gz ZCDHKKNDLGXJJE-WOJBJXKFSA-N 1 0 378.944 3.958 20 30 GHEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599430197 861203192 /nfs/dbraw/zinc/20/31/92/861203192.db2.gz PBAPUPKBBRXNET-GGAORHGYSA-N 1 0 394.515 3.640 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000599434140 861205354 /nfs/dbraw/zinc/20/53/54/861205354.db2.gz SBBPNWXLSQPAED-IBGZPJMESA-N 1 0 394.918 3.758 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C[C@H]1C ZINC000500121676 841485920 /nfs/dbraw/zinc/48/59/20/841485920.db2.gz NDLNOFLRLBWHQE-MOPGFXCFSA-N 1 0 393.535 3.635 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698860 861207993 /nfs/dbraw/zinc/20/79/93/861207993.db2.gz JMDUGYRVZUHORS-FHWLQOOXSA-N 1 0 389.609 3.894 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000156222680 841519941 /nfs/dbraw/zinc/51/99/41/841519941.db2.gz YHGZZBBFEHGACQ-IIBYNOLFSA-N 1 0 389.565 3.940 20 30 GHEDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@@H]1C ZINC000662775126 841589990 /nfs/dbraw/zinc/58/99/90/841589990.db2.gz QANYCAIKYXXKPU-NXEZZACHSA-N 1 0 386.311 3.798 20 30 GHEDRO COc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000045102723 841590372 /nfs/dbraw/zinc/59/03/72/841590372.db2.gz BRMDRAAQNMBAER-MRXNPFEDSA-N 1 0 398.482 3.540 20 30 GHEDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@H]1C ZINC000662775129 841590383 /nfs/dbraw/zinc/59/03/83/841590383.db2.gz QANYCAIKYXXKPU-ZJUUUORDSA-N 1 0 386.311 3.798 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000581547905 841649087 /nfs/dbraw/zinc/64/90/87/841649087.db2.gz GBCLZISDHLLXAC-MRXNPFEDSA-N 1 0 393.457 3.670 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)NCCCSC)[n+]1cccc(C)c1 ZINC000027478821 841717609 /nfs/dbraw/zinc/71/76/09/841717609.db2.gz SRJJCZNKHPBWBU-UHFFFAOYSA-O 1 0 389.566 3.573 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132758 841849837 /nfs/dbraw/zinc/84/98/37/841849837.db2.gz IUIDLZIAGCMKOL-HLAWJBBLSA-N 1 0 383.536 3.817 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000329281119 861244066 /nfs/dbraw/zinc/24/40/66/861244066.db2.gz KOURJZCTBBKXKS-CVEARBPZSA-N 1 0 399.470 3.857 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(C#N)c(Cl)c2)CC1 ZINC000190268422 841861425 /nfs/dbraw/zinc/86/14/25/841861425.db2.gz YJYRMWFEZJZDDR-UHFFFAOYSA-N 1 0 397.906 3.680 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000610521896 841919156 /nfs/dbraw/zinc/91/91/56/841919156.db2.gz BILOBRWCHFEGHL-KSSFIOAISA-N 1 0 390.325 3.785 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1C#N ZINC000157864969 841935423 /nfs/dbraw/zinc/93/54/23/841935423.db2.gz RBODDQJUUYUIOL-UHFFFAOYSA-N 1 0 396.491 3.608 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000303449523 841996856 /nfs/dbraw/zinc/99/68/56/841996856.db2.gz HYXYSVACBLUXAI-LJQANCHMSA-N 1 0 383.492 3.789 20 30 GHEDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)N(C)C ZINC000569055054 842010973 /nfs/dbraw/zinc/01/09/73/842010973.db2.gz YGUBZAHBRNDNGC-SFHVURJKSA-N 1 0 377.410 3.978 20 30 GHEDRO CCOc1ccc(CCC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000585767930 842282246 /nfs/dbraw/zinc/28/22/46/842282246.db2.gz HRKPCXGWLLKPMR-QHCPKHFHSA-N 1 0 383.536 3.538 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1=S ZINC000730807148 861296098 /nfs/dbraw/zinc/29/60/98/861296098.db2.gz NWTTVOGTMLHWNM-HXUWFJFHSA-N 1 0 397.592 3.709 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+](C)C)c1 ZINC000157237416 861308366 /nfs/dbraw/zinc/30/83/66/861308366.db2.gz ABNZRIISPJAUIG-RTWAWAEBSA-N 1 0 380.492 3.642 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1N=Cc1cc2ccccc2[nH]c1=O ZINC000255371927 842438404 /nfs/dbraw/zinc/43/84/04/842438404.db2.gz GQIRNKYMDYYLOL-UHFFFAOYSA-N 1 0 390.487 3.842 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000432272344 842470136 /nfs/dbraw/zinc/47/01/36/842470136.db2.gz TZLMBHPAPCDFIQ-OAQYLSRUSA-N 1 0 380.492 3.698 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178220725 842521594 /nfs/dbraw/zinc/52/15/94/842521594.db2.gz GPPDOLARXMNBCJ-UHFFFAOYSA-N 1 0 391.515 3.744 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000512119621 842558621 /nfs/dbraw/zinc/55/86/21/842558621.db2.gz SPWXWCHJUVGGPJ-DENIHFKCSA-N 1 0 382.552 3.992 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC([C@@H]2CCCCO2)CC1)C(C)C ZINC000663668471 842600685 /nfs/dbraw/zinc/60/06/85/842600685.db2.gz PESXTAJICKAQAZ-SFTDATJTSA-N 1 0 377.573 3.676 20 30 GHEDRO C#CCn1ccc(CN(CC)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)n1 ZINC000279161210 842655951 /nfs/dbraw/zinc/65/59/51/842655951.db2.gz UCIFNKFQTPDTGA-UHFFFAOYSA-N 1 0 393.535 3.599 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512153797 842663333 /nfs/dbraw/zinc/66/33/33/842663333.db2.gz VKLKNVBAEUJVSM-QGZVFWFLSA-N 1 0 399.466 3.624 20 30 GHEDRO CC(C)(C#N)CCCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573217 861347647 /nfs/dbraw/zinc/34/76/47/861347647.db2.gz NAOBVVCAFRENTB-IBGZPJMESA-N 1 0 379.342 3.979 20 30 GHEDRO N#CCc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC000599573222 842776030 /nfs/dbraw/zinc/77/60/30/842776030.db2.gz NBYACUJMABWYBH-HXUWFJFHSA-N 1 0 385.305 3.525 20 30 GHEDRO C[C@@]1(C#N)CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000599749890 842815638 /nfs/dbraw/zinc/81/56/38/842815638.db2.gz AKBYUZCHAICILG-KNKQGSTJSA-N 1 0 394.544 3.511 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC#Cc1cccc(F)c1 ZINC000549585286 842886355 /nfs/dbraw/zinc/88/63/55/842886355.db2.gz UPAKNRNTJMEUDK-UHFFFAOYSA-N 1 0 381.495 3.731 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121563313 842956648 /nfs/dbraw/zinc/95/66/48/842956648.db2.gz RHINMQHHKHPLHP-OAHLLOKOSA-N 1 0 385.405 3.710 20 30 GHEDRO CC(C)C[C@H](CO)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000481439774 861365518 /nfs/dbraw/zinc/36/55/18/861365518.db2.gz UCLMJXVRIFTKHF-OAHLLOKOSA-N 1 0 377.554 3.556 20 30 GHEDRO C=C(C)C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(CO)o1 ZINC000512202311 843082662 /nfs/dbraw/zinc/08/26/62/843082662.db2.gz JKQYEXDMBIJGKQ-JOCHJYFZSA-N 1 0 382.504 3.734 20 30 GHEDRO C=C(C)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(CO)o1 ZINC000512217309 843112627 /nfs/dbraw/zinc/11/26/27/843112627.db2.gz FPBOHWTWRZWGQK-UHFFFAOYSA-N 1 0 387.867 3.704 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)c1C#N ZINC000063615426 843201925 /nfs/dbraw/zinc/20/19/25/843201925.db2.gz TXMJIMKJOXFQQY-INIZCTEOSA-N 1 0 382.483 3.833 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000329426328 861404701 /nfs/dbraw/zinc/40/47/01/861404701.db2.gz ITVRSAMLDOPPSD-SJLPKXTDSA-N 1 0 396.491 3.762 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(F)c(N4CCOC4=O)c3)CC2)cc1 ZINC000279794730 843391265 /nfs/dbraw/zinc/39/12/65/843391265.db2.gz MTBRSJXIOAVFPB-UHFFFAOYSA-N 1 0 394.450 3.730 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000279825403 843404838 /nfs/dbraw/zinc/40/48/38/843404838.db2.gz INMPURICIPQWJV-UHFFFAOYSA-N 1 0 391.515 3.944 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000471907828 843412299 /nfs/dbraw/zinc/41/22/99/843412299.db2.gz AIKXCFIOBPTTPF-RBBKRZOGSA-N 1 0 387.568 3.911 20 30 GHEDRO CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000662570868 843413679 /nfs/dbraw/zinc/41/36/79/843413679.db2.gz IVCLRYYKZIOCAD-LBPRGKRZSA-N 1 0 386.311 3.785 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610661001 843432753 /nfs/dbraw/zinc/43/27/53/843432753.db2.gz WVNRMVHMQSNJDP-UHFFFAOYSA-N 1 0 381.480 3.797 20 30 GHEDRO CCCO[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000731034646 861420816 /nfs/dbraw/zinc/42/08/16/861420816.db2.gz KMUHWWVFMIAZME-ROUUACIJSA-N 1 0 378.476 3.505 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000555626156 861429792 /nfs/dbraw/zinc/42/97/92/861429792.db2.gz GUISHVDOXBFISN-LSDHHAIUSA-N 1 0 377.423 3.561 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418737633 843585091 /nfs/dbraw/zinc/58/50/91/843585091.db2.gz YHNSHMDRYNEFES-SIKLNZKXSA-N 1 0 394.494 3.927 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2cccs2)N2CCOCC2)c(O)c1 ZINC000005227853 843647429 /nfs/dbraw/zinc/64/74/29/843647429.db2.gz VMRBLQMVVDECKF-QTCOBDOFSA-N 1 0 387.549 3.792 20 30 GHEDRO Cc1ccccc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512826293 843816256 /nfs/dbraw/zinc/81/62/56/843816256.db2.gz CZEUVRUWNFQXAW-UHFFFAOYSA-N 1 0 381.451 3.878 20 30 GHEDRO COc1cc(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1Cl ZINC000555638241 861459937 /nfs/dbraw/zinc/45/99/37/861459937.db2.gz UIZWCEBQCBPQSN-UHFFFAOYSA-N 1 0 380.879 3.953 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000512839177 843861420 /nfs/dbraw/zinc/86/14/20/843861420.db2.gz HHYJPQBIFOZTOY-UHFFFAOYSA-N 1 0 385.395 3.528 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000500736299 843908893 /nfs/dbraw/zinc/90/88/93/843908893.db2.gz DACRJFYNNOSKKW-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000411892269 843920581 /nfs/dbraw/zinc/92/05/81/843920581.db2.gz LTAHEXXNKDGGDP-IRLDBZIGSA-N 1 0 397.906 3.797 20 30 GHEDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000512487374 843994937 /nfs/dbraw/zinc/99/49/37/843994937.db2.gz UJBCQGNGDYRBEY-URXFXBBRSA-N 1 0 389.543 3.681 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1OC ZINC000549924978 844659863 /nfs/dbraw/zinc/65/98/63/844659863.db2.gz WZRTYHYFDSSNHR-ACJLOTCBSA-N 1 0 384.314 3.663 20 30 GHEDRO C#Cc1cccc(NC(=S)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)c1 ZINC000731159498 861490515 /nfs/dbraw/zinc/49/05/15/861490515.db2.gz GVIPVBFICNMIJR-UHFFFAOYSA-N 1 0 385.577 3.768 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508808925 844799879 /nfs/dbraw/zinc/79/98/79/844799879.db2.gz IXCWZYNVLRAFLR-GHTZIAJQSA-N 1 0 377.536 3.893 20 30 GHEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000731211163 861505861 /nfs/dbraw/zinc/50/58/61/861505861.db2.gz AOBVIJNYSQPKJY-RBUKOAKNSA-N 1 0 377.271 3.986 20 30 GHEDRO CS[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000614460146 844907074 /nfs/dbraw/zinc/90/70/74/844907074.db2.gz STWFKUZUWSHWHE-CABCVRRESA-N 1 0 384.332 3.517 20 30 GHEDRO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433017412 844960422 /nfs/dbraw/zinc/96/04/22/844960422.db2.gz AGCXGBMFZHKLRG-OAQYLSRUSA-N 1 0 377.488 3.999 20 30 GHEDRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1F ZINC000433020907 844985465 /nfs/dbraw/zinc/98/54/65/844985465.db2.gz PALYCVWBUWIZDM-HXUWFJFHSA-N 1 0 383.467 3.817 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]CC1(c2ccc(OCC)cc2)CCOCC1 ZINC000236968911 845285056 /nfs/dbraw/zinc/28/50/56/845285056.db2.gz NVWUUIVDIXQHEE-UHFFFAOYSA-N 1 0 379.500 3.935 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000110016436 845325782 /nfs/dbraw/zinc/32/57/82/845325782.db2.gz PFXVLDHFGJXIRK-KRWDZBQOSA-N 1 0 397.494 3.633 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513521276 845572660 /nfs/dbraw/zinc/57/26/60/845572660.db2.gz NGIDZGHQQJWPQU-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@H](C(C)C)C2)c1=S ZINC000780498525 845684439 /nfs/dbraw/zinc/68/44/39/845684439.db2.gz NPTDLBIGDONDAW-IBGZPJMESA-N 1 0 391.629 3.954 20 30 GHEDRO Cn1cc(CNCc2nc3cc(Cl)ccc3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000548624589 845904331 /nfs/dbraw/zinc/90/43/31/845904331.db2.gz ZCAOVCJGLLPNCS-UHFFFAOYSA-N 1 0 390.878 3.789 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536496976 846020212 /nfs/dbraw/zinc/02/02/12/846020212.db2.gz IFGRBHOJJMQNSW-NQIIRXRSSA-N 1 0 399.897 3.823 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000057382563 846057537 /nfs/dbraw/zinc/05/75/37/846057537.db2.gz ZSEKRZKMFZSFCW-UHFFFAOYSA-N 1 0 394.515 3.583 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000604035718 861653021 /nfs/dbraw/zinc/65/30/21/861653021.db2.gz LMYZKAWYHYXTCM-HDICACEKSA-N 1 0 397.544 3.515 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000280088521 846286084 /nfs/dbraw/zinc/28/60/84/846286084.db2.gz YSIBIBWLJMOPRT-KDURUIRLSA-N 1 0 397.563 3.839 20 30 GHEDRO Cc1ccccc1N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000028879920 861671259 /nfs/dbraw/zinc/67/12/59/861671259.db2.gz PCXOHPHZXJHGIP-UHFFFAOYSA-N 1 0 394.544 3.568 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1 ZINC000419405673 846529179 /nfs/dbraw/zinc/52/91/79/846529179.db2.gz SZVVDTOZARQEOR-LEWJYISDSA-N 1 0 380.467 3.677 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000419619788 846688120 /nfs/dbraw/zinc/68/81/20/846688120.db2.gz QBGGHQWFDPEEIT-NHCUHLMSSA-N 1 0 380.467 3.677 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)cc1 ZINC000511093368 846691741 /nfs/dbraw/zinc/69/17/41/846691741.db2.gz VMSYPLUVYISNEG-XMSQKQJNSA-N 1 0 386.442 3.860 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000684805931 846717540 /nfs/dbraw/zinc/71/75/40/846717540.db2.gz QKSVDVPRQGXGHD-VDGAXYAQSA-N 1 0 391.943 3.757 20 30 GHEDRO N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-c4ncc[nH]4)cc3)CC2)c(F)c1 ZINC000375684606 846749051 /nfs/dbraw/zinc/74/90/51/846749051.db2.gz GQGHLUBZIJOAMB-UHFFFAOYSA-N 1 0 389.434 3.943 20 30 GHEDRO COc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(F)cc1C#N ZINC000599820120 861726290 /nfs/dbraw/zinc/72/62/90/861726290.db2.gz VAIYRYZPXRONOL-DNVCBOLYSA-N 1 0 396.466 3.738 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCCSCc1ccccc1C#N)C1CCCCC1 ZINC000501353649 846864576 /nfs/dbraw/zinc/86/45/76/846864576.db2.gz RWHHBOIJQVWXDP-HXUWFJFHSA-N 1 0 388.581 3.601 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](CCCO)c2ccccc2)cc1C ZINC000271787505 846919915 /nfs/dbraw/zinc/91/99/15/846919915.db2.gz MQNKIFQXBZBRHP-JOCHJYFZSA-N 1 0 379.504 3.654 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158126058 846980482 /nfs/dbraw/zinc/98/04/82/846980482.db2.gz BMHUZQSXTKJNLV-UHFFFAOYSA-N 1 0 398.315 3.750 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1CCC#N ZINC000272100583 846990983 /nfs/dbraw/zinc/99/09/83/846990983.db2.gz OPYZSFCOULGCMJ-QGZVFWFLSA-N 1 0 394.523 3.801 20 30 GHEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC000329602901 861749545 /nfs/dbraw/zinc/74/95/45/861749545.db2.gz LBZBZBUVUGVJNB-KDOFPFPSSA-N 1 0 388.487 3.789 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000481569096 861749952 /nfs/dbraw/zinc/74/99/52/861749952.db2.gz MLBSBBKVJZGSTR-UTKZUKDTSA-N 1 0 375.415 3.814 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000478530957 847112445 /nfs/dbraw/zinc/11/24/45/847112445.db2.gz TXGZSNDWTVGMPA-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000272616523 847126222 /nfs/dbraw/zinc/12/62/22/847126222.db2.gz WICQHKSGQNKDED-MAUKXSAKSA-N 1 0 392.906 3.807 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277587228 847152538 /nfs/dbraw/zinc/15/25/38/847152538.db2.gz WLBOUVIESGEEGF-IRXDYDNUSA-N 1 0 390.553 3.561 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000501793911 847195399 /nfs/dbraw/zinc/19/53/99/847195399.db2.gz MMYMHNBKMWAJKY-QZTJIDSGSA-N 1 0 387.487 3.703 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)CCCCOc2cccc(C#N)c2)cc1F ZINC000121803452 847292916 /nfs/dbraw/zinc/29/29/16/847292916.db2.gz GAYXJBSCLABBTR-UHFFFAOYSA-N 1 0 383.467 3.624 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CC[NH+](C2CCC2)CC1 ZINC000329616685 861780274 /nfs/dbraw/zinc/78/02/74/861780274.db2.gz LNEIAXDHWUSDEU-UHFFFAOYSA-N 1 0 379.508 3.602 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000502171823 847552626 /nfs/dbraw/zinc/55/26/26/847552626.db2.gz HZAHSXUUGGWOJS-UHFFFAOYSA-N 1 0 383.879 3.941 20 30 GHEDRO C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC12CCCCC2 ZINC000329620316 861804286 /nfs/dbraw/zinc/80/42/86/861804286.db2.gz MOTBCHPJKNBYHE-NRSPTQNISA-N 1 0 391.600 3.961 20 30 GHEDRO C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC12CCCCC2 ZINC000329620315 861804433 /nfs/dbraw/zinc/80/44/33/861804433.db2.gz MOTBCHPJKNBYHE-HMXCVIKNSA-N 1 0 391.600 3.961 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000183463438 847593763 /nfs/dbraw/zinc/59/37/63/847593763.db2.gz ZZQPWSRPZJDVBK-FYYLOGMGSA-N 1 0 388.515 3.851 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502274806 847679218 /nfs/dbraw/zinc/67/92/18/847679218.db2.gz HRCKDHKSHGAFSA-KDURUIRLSA-N 1 0 380.536 3.725 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000414674345 847727810 /nfs/dbraw/zinc/72/78/10/847727810.db2.gz DQXSNDMVOBGDSE-SECBINFHSA-N 1 0 379.251 3.828 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1C ZINC000582635418 847872926 /nfs/dbraw/zinc/87/29/26/847872926.db2.gz PWFDAECOZWTCPV-NRFANRHFSA-N 1 0 399.560 3.961 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cnc1C(F)F ZINC000934591366 848043988 /nfs/dbraw/zinc/04/39/88/848043988.db2.gz YFZKXPXFDINNPM-UHFFFAOYSA-N 1 0 399.445 3.985 20 30 GHEDRO Cc1cc(Cl)cnc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000329640178 861889705 /nfs/dbraw/zinc/88/97/05/861889705.db2.gz WZWNOVHJRFZZFK-HOTGVXAUSA-N 1 0 394.947 3.800 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1OCCCC#N ZINC000119996879 848482125 /nfs/dbraw/zinc/48/21/25/848482125.db2.gz BEYPGYARUFGYQY-HXUWFJFHSA-N 1 0 379.504 3.994 20 30 GHEDRO CCN(CC)[C@@H](C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000731906767 861951692 /nfs/dbraw/zinc/95/16/92/861951692.db2.gz AIYULSUKJMNLEX-HXUWFJFHSA-N 1 0 399.878 3.776 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000481654060 861954455 /nfs/dbraw/zinc/95/44/55/861954455.db2.gz BUMQXCXPYDQWMM-HXUWFJFHSA-N 1 0 375.472 3.731 20 30 GHEDRO Cc1ccccc1C1(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CCOCC1 ZINC000329120597 848944423 /nfs/dbraw/zinc/94/44/23/848944423.db2.gz PYGUIJPFQQACHP-HXUWFJFHSA-N 1 0 387.568 3.667 20 30 GHEDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000583059566 848987383 /nfs/dbraw/zinc/98/73/83/848987383.db2.gz UUQRSMAVMYZKQN-PKTZIBPZSA-N 1 0 386.499 3.754 20 30 GHEDRO CCC(CCc1ccc(Br)cc1)=NNC(=S)NCCC[NH+](C)C ZINC000731928365 861974777 /nfs/dbraw/zinc/97/47/77/861974777.db2.gz IYXQIKFBXACDGP-UHFFFAOYSA-N 1 0 399.402 3.564 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2C#N)C[C@H](C)O1 ZINC000052314553 849740714 /nfs/dbraw/zinc/74/07/14/849740714.db2.gz PWFVLIXROXCXLX-HOTGVXAUSA-N 1 0 380.448 3.688 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000503925080 849766398 /nfs/dbraw/zinc/76/63/98/849766398.db2.gz BMXCIYPDUQQOCG-JOCHJYFZSA-N 1 0 388.471 3.526 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)ccc1OC(C)C ZINC000434881866 849868549 /nfs/dbraw/zinc/86/85/49/849868549.db2.gz YDSLVGLMODDDNY-RHSMWYFYSA-N 1 0 399.516 3.872 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000514588549 850029375 /nfs/dbraw/zinc/02/93/75/850029375.db2.gz LYDSPOFWHOLYAZ-FQEVSTJZSA-N 1 0 390.487 3.804 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000510031597 850162549 /nfs/dbraw/zinc/16/25/49/850162549.db2.gz XATVFYRQVBJSHY-NRFANRHFSA-N 1 0 380.492 3.584 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000424115469 850228566 /nfs/dbraw/zinc/22/85/66/850228566.db2.gz VGQCLNVZNHORSZ-QGZVFWFLSA-N 1 0 392.341 3.832 20 30 GHEDRO C[C@@H](O)[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1F ZINC000569610517 850263727 /nfs/dbraw/zinc/26/37/27/850263727.db2.gz LHOIVWBCUBUHHQ-IIBYNOLFSA-N 1 0 378.451 3.815 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908691737 850272202 /nfs/dbraw/zinc/27/22/02/850272202.db2.gz ZQMNJMAPZGQYNC-OALUTQOASA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC000908695590 850275263 /nfs/dbraw/zinc/27/52/63/850275263.db2.gz QYUWSACMCNNDQA-ZRCGQRJVSA-N 1 0 393.535 3.515 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000028776857 850278833 /nfs/dbraw/zinc/27/88/33/850278833.db2.gz GELAQZOURMEVIV-UHFFFAOYSA-O 1 0 398.508 3.894 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000518903747 850326387 /nfs/dbraw/zinc/32/63/87/850326387.db2.gz SGCQJYXFASHHFB-IAGOWNOFSA-N 1 0 378.476 3.738 20 30 GHEDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000437949510 850332010 /nfs/dbraw/zinc/33/20/10/850332010.db2.gz DTRBPZPFOLJQDS-OAHLLOKOSA-N 1 0 384.455 3.738 20 30 GHEDRO C[N@H+](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CCCCC1 ZINC000518915842 850345057 /nfs/dbraw/zinc/34/50/57/850345057.db2.gz WSVIYMQTPFVDBU-UHFFFAOYSA-N 1 0 378.476 3.740 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)ccc1OC ZINC000143013793 862133177 /nfs/dbraw/zinc/13/31/77/862133177.db2.gz AWYAHLBBBBLTAV-HXUWFJFHSA-N 1 0 380.488 3.541 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000505057828 850557478 /nfs/dbraw/zinc/55/74/78/850557478.db2.gz MBKQZFFMIMOASJ-UHFFFAOYSA-N 1 0 393.535 3.664 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1cccs1 ZINC000522596304 862147111 /nfs/dbraw/zinc/14/71/11/862147111.db2.gz ABLJUMGPPNCLGG-SFHVURJKSA-N 1 0 395.484 3.824 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000435543090 850632080 /nfs/dbraw/zinc/63/20/80/850632080.db2.gz SWBYJEUBNNAIFC-UHFFFAOYSA-N 1 0 381.442 3.817 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000487315229 850686222 /nfs/dbraw/zinc/68/62/22/850686222.db2.gz PYTDJCXLILNCOE-WIYYLYMNSA-N 1 0 394.515 3.900 20 30 GHEDRO C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1=CC[N@H+](C)CC1 ZINC000329706382 862162067 /nfs/dbraw/zinc/16/20/67/862162067.db2.gz KXKOHPQILDNJMH-SWLSCSKDSA-N 1 0 396.318 3.953 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414820340 850740976 /nfs/dbraw/zinc/74/09/76/850740976.db2.gz CJMDWKCMKOSCOK-UHFFFAOYSA-N 1 0 397.441 3.698 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](N)c2ccccc2)cc1OC ZINC000414824966 850794529 /nfs/dbraw/zinc/79/45/29/850794529.db2.gz BNIVDVUMWNPYLQ-KRWDZBQOSA-N 1 0 391.309 3.812 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000614516840 851136067 /nfs/dbraw/zinc/13/60/67/851136067.db2.gz WGJFXNCDXYKQJJ-RBDMOPTHSA-N 1 0 377.463 3.728 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550032214 851150325 /nfs/dbraw/zinc/15/03/25/851150325.db2.gz HSXXSCPOGZWWTF-UHFFFAOYSA-N 1 0 382.907 3.585 20 30 GHEDRO [NH2+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC1CCCCCC1 ZINC000262017367 851175969 /nfs/dbraw/zinc/17/59/69/851175969.db2.gz WPTFPSIBGQZATG-UHFFFAOYSA-N 1 0 388.825 3.529 20 30 GHEDRO N#Cc1cccc(OCCC[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488187929 851232863 /nfs/dbraw/zinc/23/28/63/851232863.db2.gz WDCHWIQXQXEHQA-UHFFFAOYSA-N 1 0 389.293 3.584 20 30 GHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CSc3ccc(C#N)cc3)sc2C1 ZINC000425092278 851257777 /nfs/dbraw/zinc/25/77/77/851257777.db2.gz ZMUVGAZIJRATOS-UHFFFAOYSA-N 1 0 386.546 3.902 20 30 GHEDRO CC[C@@H](C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000604483745 862226816 /nfs/dbraw/zinc/22/68/16/862226816.db2.gz GARYXTZAPMFVDQ-GOSISDBHSA-N 1 0 399.560 3.824 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1)C(=O)NC1(C#N)CCC1 ZINC000434626448 851383682 /nfs/dbraw/zinc/38/36/82/851383682.db2.gz IFYVLYWYQQJHGW-ZWKOTPCHSA-N 1 0 377.488 3.867 20 30 GHEDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000505782557 851392212 /nfs/dbraw/zinc/39/22/12/851392212.db2.gz JXDYFLHUGCXCLG-AVRDEDQJSA-N 1 0 391.515 3.588 20 30 GHEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604522338 862243548 /nfs/dbraw/zinc/24/35/48/862243548.db2.gz NMWXZLYQKDFXQR-GPXNEJASSA-N 1 0 394.515 3.592 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000329727506 862242680 /nfs/dbraw/zinc/24/26/80/862242680.db2.gz CJSRLRYKXADJIO-FOIQADDNSA-N 1 0 382.508 3.697 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000514242323 851463709 /nfs/dbraw/zinc/46/37/09/851463709.db2.gz MFRKKSXZMQMNPD-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO CN1C[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21 ZINC000436371460 851527024 /nfs/dbraw/zinc/52/70/24/851527024.db2.gz NWKGNIIENKZYSO-IBGZPJMESA-N 1 0 385.515 3.862 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCC(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000488567062 851609201 /nfs/dbraw/zinc/60/92/01/851609201.db2.gz YSNONSAKDXNXSH-IRSIHTCSSA-N 1 0 389.499 3.681 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425552977 851630698 /nfs/dbraw/zinc/63/06/98/851630698.db2.gz LOQRYTFSRZJLLX-XLIONFOSSA-N 1 0 388.577 3.932 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604564514 862278325 /nfs/dbraw/zinc/27/83/25/862278325.db2.gz VYQZXEJGXIVFTD-HXUWFJFHSA-N 1 0 389.499 3.552 20 30 GHEDRO COc1ccc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1C ZINC000600563111 862281447 /nfs/dbraw/zinc/28/14/47/862281447.db2.gz KLOKIHPLORJYCH-UHFFFAOYSA-N 1 0 399.494 3.644 20 30 GHEDRO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000544307516 851793161 /nfs/dbraw/zinc/79/31/61/851793161.db2.gz VVQYJBTVDCEQQB-UHFFFAOYSA-N 1 0 396.495 3.622 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000438001137 851937082 /nfs/dbraw/zinc/93/70/82/851937082.db2.gz IRADHWBMJPDQMB-GIVPXCGWSA-N 1 0 377.573 3.654 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000894723979 852067390 /nfs/dbraw/zinc/06/73/90/852067390.db2.gz ZKFLESDEFKKFII-MSOLQXFVSA-N 1 0 391.537 3.514 20 30 GHEDRO C=CC[N@H+](Cc1nc2ccccc2nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528346 852076330 /nfs/dbraw/zinc/07/63/30/852076330.db2.gz VFYHLMJGZRZZFO-KRWDZBQOSA-N 1 0 385.475 3.663 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000517580158 852130838 /nfs/dbraw/zinc/13/08/38/852130838.db2.gz CMOMDFJCRNCHJH-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000249071745 862325898 /nfs/dbraw/zinc/32/58/98/862325898.db2.gz QLPPDQRMIMMWQJ-IGNZVWTISA-N 1 0 387.867 3.868 20 30 GHEDRO COc1cc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)c2ccccc2n1 ZINC000329799497 862329647 /nfs/dbraw/zinc/32/96/47/862329647.db2.gz HOXDYHVVOPPYMG-UHFFFAOYSA-N 1 0 382.508 3.608 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000489313053 852212714 /nfs/dbraw/zinc/21/27/14/852212714.db2.gz HSRUTUBKFBBUDP-JOCHJYFZSA-N 1 0 377.488 3.549 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000028892062 852218694 /nfs/dbraw/zinc/21/86/94/852218694.db2.gz QYSPPWXIKAYDKP-UHFFFAOYSA-N 1 0 394.544 3.568 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 ZINC000329807781 862335169 /nfs/dbraw/zinc/33/51/69/862335169.db2.gz OXFAMJPOWYSJAM-KDOFPFPSSA-N 1 0 388.512 3.885 20 30 GHEDRO COc1ccc(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1OC ZINC000516200511 852263775 /nfs/dbraw/zinc/26/37/75/852263775.db2.gz NBBPHSXTGQJESH-UHFFFAOYSA-N 1 0 379.504 3.767 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000029009447 852420417 /nfs/dbraw/zinc/42/04/17/852420417.db2.gz ZUBSMMAITINJKA-SFHVURJKSA-N 1 0 377.488 3.628 20 30 GHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1NCC[N@@H+]1CCc2sccc2C1 ZINC000506994123 852435309 /nfs/dbraw/zinc/43/53/09/852435309.db2.gz CRSVUWSRTGMBTA-UHFFFAOYSA-N 1 0 386.883 3.853 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489557705 852441523 /nfs/dbraw/zinc/44/15/23/852441523.db2.gz CTWFHHRQBUYGSU-KNQAVFIVSA-N 1 0 393.531 3.961 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCCc2ccc(F)cc2)C1 ZINC000329847533 862370038 /nfs/dbraw/zinc/37/00/38/862370038.db2.gz YPSFRIVTYLJVSD-SEVLPDGMSA-N 1 0 376.516 3.976 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3c(F)cccc3C#N)C2)s1 ZINC000516479836 852623033 /nfs/dbraw/zinc/62/30/33/852623033.db2.gz ZEJOBTFYTGIGKB-MRXNPFEDSA-N 1 0 385.508 3.590 20 30 GHEDRO CC[C@@H](C)Oc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000426083743 852648207 /nfs/dbraw/zinc/64/82/07/852648207.db2.gz DGXDOFNBFUFXPU-GOSISDBHSA-N 1 0 379.504 3.940 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000429179177 862380360 /nfs/dbraw/zinc/38/03/60/862380360.db2.gz GQVVQLBUANKJOQ-VOJFVSQTSA-N 1 0 375.881 3.504 20 30 GHEDRO CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000489946725 852691058 /nfs/dbraw/zinc/69/10/58/852691058.db2.gz MWBOVLMETYERPR-UNMCSNQZSA-N 1 0 379.479 3.981 20 30 GHEDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437079829 852707563 /nfs/dbraw/zinc/70/75/63/852707563.db2.gz XPGZNGVUSGTTEW-FQVISZRSSA-N 1 0 392.503 3.674 20 30 GHEDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000505963920 852717106 /nfs/dbraw/zinc/71/71/06/852717106.db2.gz ICZWKUMBUFRQDT-CALCHBBNSA-N 1 0 393.535 3.539 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@H]1C ZINC000437104515 852740414 /nfs/dbraw/zinc/74/04/14/852740414.db2.gz FWMSQWWQPYUGKU-NPVNXHKCSA-N 1 0 385.508 3.601 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437112367 852748525 /nfs/dbraw/zinc/74/85/25/852748525.db2.gz UAGNSQNZLBLFSN-MYWSLZCHSA-N 1 0 396.466 3.789 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](C2CCCCC2)C1 ZINC000669030507 852754708 /nfs/dbraw/zinc/75/47/08/852754708.db2.gz LWTUGGSDSIJSJZ-NJYVYQBISA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC000669033550 852786593 /nfs/dbraw/zinc/78/65/93/852786593.db2.gz SHCQVPYGLZLPGC-AQNXPRMDSA-N 1 0 385.556 3.549 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000507329279 852798695 /nfs/dbraw/zinc/79/86/95/852798695.db2.gz KKZWRLSZCPVLKO-AVRDEDQJSA-N 1 0 394.519 3.628 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)nc1 ZINC000912929748 852896588 /nfs/dbraw/zinc/89/65/88/852896588.db2.gz OSFJPBAIVYMWFS-QFIPXVFZSA-N 1 0 388.515 3.539 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)c2)C1 ZINC000912927101 852917283 /nfs/dbraw/zinc/91/72/83/852917283.db2.gz VAHBNMXKEWDJTH-QFIPXVFZSA-N 1 0 388.515 3.782 20 30 GHEDRO C[C@H]1CCN(c2ncc(Br)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000383090065 852917612 /nfs/dbraw/zinc/91/76/12/852917612.db2.gz RCBWVNKYSNPOHP-HNNXBMFYSA-N 1 0 385.309 3.817 20 30 GHEDRO C[C@@H]1CCN(c2ncc(Br)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000383090066 852917696 /nfs/dbraw/zinc/91/76/96/852917696.db2.gz RCBWVNKYSNPOHP-OAHLLOKOSA-N 1 0 385.309 3.817 20 30 GHEDRO C=CCc1cc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)cc(OC)c1OC ZINC000151334168 852929154 /nfs/dbraw/zinc/92/91/54/852929154.db2.gz LPPIGUZVLNFMSE-UHFFFAOYSA-N 1 0 398.503 3.933 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCO[C@@H](CC(C)C)C3)c2)CC1 ZINC000329914587 862418800 /nfs/dbraw/zinc/41/88/00/862418800.db2.gz CORPQNSCWMKYAK-CTNGQTDRSA-N 1 0 388.556 3.557 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000029376772 853035277 /nfs/dbraw/zinc/03/52/77/853035277.db2.gz BBGLGSFTUNZYCM-UHFFFAOYSA-N 1 0 376.504 3.580 20 30 GHEDRO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000490547946 853083779 /nfs/dbraw/zinc/08/37/79/853083779.db2.gz RWGXMKRTCWQMSZ-NNWRFLSQSA-N 1 0 378.520 3.984 20 30 GHEDRO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518301326 853178373 /nfs/dbraw/zinc/17/83/73/853178373.db2.gz ZGOQHCWENOWUFM-LJQANCHMSA-N 1 0 388.531 3.685 20 30 GHEDRO O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329932623 862435796 /nfs/dbraw/zinc/43/57/96/862435796.db2.gz IVFABLILLRWFQD-DLBZAZTESA-N 1 0 385.443 3.515 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000437504084 853186907 /nfs/dbraw/zinc/18/69/07/853186907.db2.gz ZJTRMAPZPUNKLA-MHECFPHRSA-N 1 0 395.547 3.505 20 30 GHEDRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000329937883 862438784 /nfs/dbraw/zinc/43/87/84/862438784.db2.gz LSZGGDDDYOJHOQ-UOSJIABYSA-N 1 0 399.539 3.817 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 ZINC000506475436 853243117 /nfs/dbraw/zinc/24/31/17/853243117.db2.gz WUBDPSCIDLTZBO-UHFFFAOYSA-N 1 0 393.535 3.637 20 30 GHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425824934 853262207 /nfs/dbraw/zinc/26/22/07/853262207.db2.gz SPGUBRQZGMASTG-KRWDZBQOSA-N 1 0 392.503 3.558 20 30 GHEDRO Cc1ccc(S(=O)(=O)CCC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000329943456 862445310 /nfs/dbraw/zinc/44/53/10/862445310.db2.gz WDZTYWHXCDIZKT-UHFFFAOYSA-N 1 0 392.565 3.912 20 30 GHEDRO C[C@@H](c1ccccc1Cl)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000029690242 853361774 /nfs/dbraw/zinc/36/17/74/853361774.db2.gz PSFBUVCRWSWYQJ-KRWDZBQOSA-N 1 0 396.922 3.919 20 30 GHEDRO C[N@H+](CCOc1cccc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518473955 853392034 /nfs/dbraw/zinc/39/20/34/853392034.db2.gz AZMLQWDUTNJULM-RTBURBONSA-N 1 0 377.271 3.834 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000517145269 853437934 /nfs/dbraw/zinc/43/79/34/853437934.db2.gz ZAXNLPZONNPLFF-INIZCTEOSA-N 1 0 390.487 3.608 20 30 GHEDRO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000261987749 853482431 /nfs/dbraw/zinc/48/24/31/853482431.db2.gz QMOGRTOFXYOIQW-GOSISDBHSA-N 1 0 390.535 3.669 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000570906754 853503191 /nfs/dbraw/zinc/50/31/91/853503191.db2.gz PDROGSWHXMNJCH-DZFGPLHGSA-N 1 0 379.529 3.752 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000519800033 853515762 /nfs/dbraw/zinc/51/57/62/853515762.db2.gz VSANDWSMXNXSIV-RTWAWAEBSA-N 1 0 396.579 3.745 20 30 GHEDRO O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)NC1CC[NH+](C2CC2)CC1 ZINC000329978420 862474110 /nfs/dbraw/zinc/47/41/10/862474110.db2.gz HNHRFGCAMUDYOE-UHFFFAOYSA-N 1 0 385.443 3.706 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000586806791 853536811 /nfs/dbraw/zinc/53/68/11/853536811.db2.gz MMVOXEVARYRJHP-IEIRFRATSA-N 1 0 391.490 3.657 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1-n1ccnn1 ZINC000586793740 853551927 /nfs/dbraw/zinc/55/19/27/853551927.db2.gz BLMAIVHZJJLSLL-IVMQYODDSA-N 1 0 388.475 3.575 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)CNc3cccc(C#N)c3)cc2)CC1 ZINC000426356784 853561551 /nfs/dbraw/zinc/56/15/51/853561551.db2.gz AIPWBFAHPXOGQK-UHFFFAOYSA-N 1 0 376.504 3.518 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000518630324 853590248 /nfs/dbraw/zinc/59/02/48/853590248.db2.gz LDYBFNKNECDANJ-INIZCTEOSA-N 1 0 396.413 3.591 20 30 GHEDRO CC(C)Cc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(CO)c2)cc1 ZINC000055014064 853629212 /nfs/dbraw/zinc/62/92/12/853629212.db2.gz ZFZIVRBLBZEHIQ-UHFFFAOYSA-O 1 0 399.580 3.992 20 30 GHEDRO Cc1ccccc1C(=O)C(C(=S)NCc1cccs1)[n+]1cccc(CO)c1 ZINC000055012986 853629439 /nfs/dbraw/zinc/62/94/39/853629439.db2.gz VPGSEHRSINDXIB-UHFFFAOYSA-O 1 0 397.545 3.565 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 ZINC000517316117 853648765 /nfs/dbraw/zinc/64/87/65/853648765.db2.gz RVRYGTPYJKCWQB-UHFFFAOYSA-N 1 0 375.516 3.630 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000439454125 853673957 /nfs/dbraw/zinc/67/39/57/853673957.db2.gz QPIXTAFZVURIPL-UHFFFAOYSA-N 1 0 378.863 3.934 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 ZINC000517329282 853676553 /nfs/dbraw/zinc/67/65/53/853676553.db2.gz XPOLLGKWOLWHIK-UHFFFAOYSA-N 1 0 391.471 3.681 20 30 GHEDRO Cc1nsc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000518715655 853691335 /nfs/dbraw/zinc/69/13/35/853691335.db2.gz HEKDQVXJEBCEDJ-HKUYNNGSSA-N 1 0 395.532 3.842 20 30 GHEDRO C[N@H+](CCCOCc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000439492452 853702404 /nfs/dbraw/zinc/70/24/04/853702404.db2.gz LAFCVJJSPSWHCC-UHFFFAOYSA-N 1 0 397.544 3.976 20 30 GHEDRO CCOc1cc2[nH+]ccc(NCc3ccc(OCC#N)cc3)c2cc1OCC ZINC000732803018 862501946 /nfs/dbraw/zinc/50/19/46/862501946.db2.gz AQYWENDTGNGFGS-UHFFFAOYSA-N 1 0 377.444 3.969 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000055472748 853917074 /nfs/dbraw/zinc/91/70/74/853917074.db2.gz IRACHPCJSJSIBY-UHFFFAOYSA-N 1 0 387.277 3.709 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000481907818 862524098 /nfs/dbraw/zinc/52/40/98/862524098.db2.gz BTQVUECHROJMQS-XMMPIXPASA-N 1 0 375.516 3.948 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)C3CCC(NC(=O)C4CC4)CC3)C1)CCCC2 ZINC000330030258 862518804 /nfs/dbraw/zinc/51/88/04/862518804.db2.gz RHQADGAZWZTZLJ-CTWPCTMYSA-N 1 0 398.551 3.769 20 30 GHEDRO O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000330036767 862521827 /nfs/dbraw/zinc/52/18/27/862521827.db2.gz YNTJIGDZQARRKA-KKXNLOMOSA-N 1 0 384.524 3.918 20 30 GHEDRO N#Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000588001176 854065638 /nfs/dbraw/zinc/06/56/38/854065638.db2.gz ZJNVICZSVICPMV-LAUBAEHRSA-N 1 0 391.475 3.540 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520332070 854089074 /nfs/dbraw/zinc/08/90/74/854089074.db2.gz XZMRBXYSZFPRSE-FGTMMUONSA-N 1 0 392.503 3.842 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164782823 854291981 /nfs/dbraw/zinc/29/19/81/854291981.db2.gz CQOLILUNLSYXLR-UXHICEINSA-N 1 0 397.592 3.949 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCCCCC#N ZINC000588652662 854327488 /nfs/dbraw/zinc/32/74/88/854327488.db2.gz JGQFVBDCQZVOQX-UHFFFAOYSA-N 1 0 380.330 3.813 20 30 GHEDRO Cc1ccc(OCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000045141072 854336712 /nfs/dbraw/zinc/33/67/12/854336712.db2.gz PAEMPVLZGGXLLE-UHFFFAOYSA-N 1 0 391.515 3.679 20 30 GHEDRO CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000572056081 854346825 /nfs/dbraw/zinc/34/68/25/854346825.db2.gz PAUZPRIXMFKDPH-PMACEKPBSA-N 1 0 385.577 3.882 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000572081970 854350445 /nfs/dbraw/zinc/35/04/45/854350445.db2.gz ZMJRYXRBJWHAFM-XMMPIXPASA-N 1 0 393.531 3.680 20 30 GHEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000184494271 854437145 /nfs/dbraw/zinc/43/71/45/854437145.db2.gz SFHYRKLQUIXRDR-HNNXBMFYSA-N 1 0 391.899 3.594 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550394630 854450243 /nfs/dbraw/zinc/45/02/43/854450243.db2.gz ZCDKRMNQHXVEOW-MRXNPFEDSA-N 1 0 375.881 3.755 20 30 GHEDRO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cn2)C[C@H](C)O1 ZINC000330091825 862567548 /nfs/dbraw/zinc/56/75/48/862567548.db2.gz QGJJRMIOEDHPBP-KSZLIROESA-N 1 0 386.540 3.938 20 30 GHEDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)oc21 ZINC000572324315 854465438 /nfs/dbraw/zinc/46/54/38/854465438.db2.gz RCCLIWXAYGCPFZ-QFBILLFUSA-N 1 0 394.471 3.988 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)CCNC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000328642697 854486962 /nfs/dbraw/zinc/48/69/62/854486962.db2.gz DZQGFNHFBLQEAY-UHFFFAOYSA-N 1 0 389.515 3.945 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCc4cnn(C)c4C3)cc2)C1 ZINC000328673690 854499463 /nfs/dbraw/zinc/49/94/63/854499463.db2.gz PKEFMIHFFLWSGI-YLJYHZDGSA-N 1 0 380.536 3.914 20 30 GHEDRO CSC[C@H](C)C(=O)N1CCC(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000328724130 854505054 /nfs/dbraw/zinc/50/50/54/854505054.db2.gz SRTQDFPVPLPTOF-INIZCTEOSA-N 1 0 395.613 3.588 20 30 GHEDRO Cn1cc(-c2ncc(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)s2)cn1 ZINC000328709741 854517629 /nfs/dbraw/zinc/51/76/29/854517629.db2.gz MPCHIHUAKYZHBN-UHFFFAOYSA-N 1 0 387.553 3.895 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2)CCC1 ZINC000045372143 854526000 /nfs/dbraw/zinc/52/60/00/854526000.db2.gz QHAYTDMUYIKIMH-UHFFFAOYSA-N 1 0 390.531 3.753 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC(c3ccc(O)cc3)CC2)[C@H]1c1ccccc1 ZINC000328847134 854575201 /nfs/dbraw/zinc/57/52/01/854575201.db2.gz XXLDYLWADYQEGJ-FCHUYYIVSA-N 1 0 379.504 3.931 20 30 GHEDRO Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)c12 ZINC000328917620 854621204 /nfs/dbraw/zinc/62/12/04/854621204.db2.gz KVVSVDFBJYELGA-PKOBYXMFSA-N 1 0 376.460 3.811 20 30 GHEDRO Cn1c2c(nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1)CCCC2 ZINC000328959537 854633663 /nfs/dbraw/zinc/63/36/63/854633663.db2.gz PZDCQNIPBNLMJK-FQEVSTJZSA-N 1 0 377.492 3.986 20 30 GHEDRO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000328971821 854637672 /nfs/dbraw/zinc/63/76/72/854637672.db2.gz ADOIDRUWYDVHAP-JKSUJKDBSA-N 1 0 392.931 3.826 20 30 GHEDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000330462779 854673107 /nfs/dbraw/zinc/67/31/07/854673107.db2.gz BTSFYFUCDGSOCC-MEBBXXQBSA-N 1 0 384.274 3.699 20 30 GHEDRO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)n2c1 ZINC000589197987 854743563 /nfs/dbraw/zinc/74/35/63/854743563.db2.gz ICNMVJREFDGNIX-GOSISDBHSA-N 1 0 389.507 3.751 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000330884248 854763027 /nfs/dbraw/zinc/76/30/27/854763027.db2.gz CAGKBDOVUGHICO-TXEJJXNPSA-N 1 0 384.318 3.611 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056578597 854794754 /nfs/dbraw/zinc/79/47/54/854794754.db2.gz MWDMAYSHAHQLBO-UHFFFAOYSA-N 1 0 378.476 3.874 20 30 GHEDRO CCNC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000331137838 854812908 /nfs/dbraw/zinc/81/29/08/854812908.db2.gz DHUAUVFJOWNEMI-DOTOQJQBSA-N 1 0 375.517 3.691 20 30 GHEDRO COc1c(Cl)cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000331297528 854839963 /nfs/dbraw/zinc/83/99/63/854839963.db2.gz SQDYDLDUUGTMGP-OAHLLOKOSA-N 1 0 378.325 3.765 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000765811501 855020450 /nfs/dbraw/zinc/02/04/50/855020450.db2.gz YJAVVGZKKAJCBM-YADHBBJMSA-N 1 0 384.907 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H](C)c1cccs1 ZINC000669334553 855030214 /nfs/dbraw/zinc/03/02/14/855030214.db2.gz IGAMKQIDXIGEHD-BBWFWOEESA-N 1 0 387.553 3.649 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC000669334779 855051314 /nfs/dbraw/zinc/05/13/14/855051314.db2.gz LDCKNMAZJKYISJ-NJYVYQBISA-N 1 0 393.535 3.731 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc(N(C)C)cc1 ZINC000022798406 855061779 /nfs/dbraw/zinc/06/17/79/855061779.db2.gz XSUZHYNZTJQRGN-UHFFFAOYSA-O 1 0 388.582 3.823 20 30 GHEDRO [NH2+]=C(NCc1cc(Cl)ccc1OC(F)F)N[C@@H]1CCOc2ccccc21 ZINC000262352422 862637586 /nfs/dbraw/zinc/63/75/86/862637586.db2.gz BISLCGMEYVMXKH-CQSZACIVSA-N 1 0 381.810 3.870 20 30 GHEDRO COc1cc(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)ccc1C#N ZINC000589638661 855084452 /nfs/dbraw/zinc/08/44/52/855084452.db2.gz PYNROVWWTAPSCD-OAQYLSRUSA-N 1 0 392.503 3.593 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000130798984 855102759 /nfs/dbraw/zinc/10/27/59/855102759.db2.gz YCPQSIOFSULWPM-UHFFFAOYSA-N 1 0 393.535 3.584 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476606 855182490 /nfs/dbraw/zinc/18/24/90/855182490.db2.gz WOZHZULFHSVPKP-SFHVURJKSA-N 1 0 387.487 3.705 20 30 GHEDRO N#Cc1cc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)ccn1 ZINC000590019598 855235578 /nfs/dbraw/zinc/23/55/78/855235578.db2.gz CSWSEMHPUQHMFD-REWPJTCUSA-N 1 0 389.430 3.633 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057154129 855253167 /nfs/dbraw/zinc/25/31/67/855253167.db2.gz GVHQIGFLEPTCNZ-LJQANCHMSA-N 1 0 392.503 3.845 20 30 GHEDRO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000330208475 862663655 /nfs/dbraw/zinc/66/36/55/862663655.db2.gz BBEXFZVANVJGEO-BHDDXSALSA-N 1 0 385.552 3.814 20 30 GHEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000190341258 855322382 /nfs/dbraw/zinc/32/23/82/855322382.db2.gz UMXVKIFTAWUMLA-GOSISDBHSA-N 1 0 398.551 3.774 20 30 GHEDRO O=C(NC1CCC(c2ccccc2)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330227567 862675594 /nfs/dbraw/zinc/67/55/94/862675594.db2.gz PIANLJIEKVPAOX-SLMMIHQXSA-N 1 0 385.552 3.594 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000459105577 855527770 /nfs/dbraw/zinc/52/77/70/855527770.db2.gz CIMRAVIYRFTMLT-LAUBAEHRSA-N 1 0 394.494 3.892 20 30 GHEDRO Cc1ccc2[nH]c([C@H]3CCCN3CCC(=O)Nc3sccc3C#N)nc2c1 ZINC000590741004 855574995 /nfs/dbraw/zinc/57/49/95/855574995.db2.gz JCDSXGBGPHSCKY-QGZVFWFLSA-N 1 0 379.489 3.970 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(F)cc1 ZINC000465680999 855577863 /nfs/dbraw/zinc/57/78/63/855577863.db2.gz GUIHOXMYWQTLDN-BHDDXSALSA-N 1 0 394.494 3.910 20 30 GHEDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000590803706 855595650 /nfs/dbraw/zinc/59/56/50/855595650.db2.gz JUTLNFKGVJNZBB-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)CNC(=O)CCC3CCCC3)C1)CCCC2 ZINC000330267947 862706707 /nfs/dbraw/zinc/70/67/07/862706707.db2.gz IJPKLCQACYMFIY-SFHVURJKSA-N 1 0 386.540 3.771 20 30 GHEDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000056661015 855619636 /nfs/dbraw/zinc/61/96/36/855619636.db2.gz LUJGSYRZXGPLDG-UHFFFAOYSA-N 1 0 396.491 3.749 20 30 GHEDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C#N)cc1C(F)(F)F ZINC000301389765 855684238 /nfs/dbraw/zinc/68/42/38/855684238.db2.gz YMNZWDRIINWVSS-OAHLLOKOSA-N 1 0 389.425 3.595 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000573047473 855703044 /nfs/dbraw/zinc/70/30/44/855703044.db2.gz MITYUIKQKUZCHM-QUCCMNQESA-N 1 0 395.551 3.894 20 30 GHEDRO CCc1nnc(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C#N)c1CC ZINC000301608674 855723242 /nfs/dbraw/zinc/72/32/42/855723242.db2.gz ABTCMZYYMSQKRU-IRXDYDNUSA-N 1 0 393.535 3.694 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C(F)(F)F)cc3C#N)cn2)CC1 ZINC000301638266 855732137 /nfs/dbraw/zinc/73/21/37/855732137.db2.gz XOVOICLVWDKWEI-UHFFFAOYSA-N 1 0 389.425 3.726 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301885844 855776194 /nfs/dbraw/zinc/77/61/94/855776194.db2.gz PNMGLBYSKWQRNM-RTBURBONSA-N 1 0 392.890 3.807 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCO[C@H](c3ccc(OC)cc3)C1)CC2 ZINC001168645343 855776748 /nfs/dbraw/zinc/77/67/48/855776748.db2.gz SAGURHRTGMWSQR-FPOVZHCZSA-N 1 0 384.520 3.558 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc4cc(C#N)ccc4n3)C2)cc(OC)c1 ZINC000301982702 855795430 /nfs/dbraw/zinc/79/54/30/855795430.db2.gz RCFKFTUSPXNKKR-IBGZPJMESA-N 1 0 388.471 3.810 20 30 GHEDRO COc1cccc([C@@H]2[C@H](Nc3ccc([N+](=O)[O-])cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000302018303 855801599 /nfs/dbraw/zinc/80/15/99/855801599.db2.gz CUUYQSBFKGQFNK-NHCUHLMSSA-N 1 0 378.432 3.865 20 30 GHEDRO N#Cc1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C(F)(F)F ZINC000302052668 855808134 /nfs/dbraw/zinc/80/81/34/855808134.db2.gz OTJLCGFMWWOEQG-SFHVURJKSA-N 1 0 375.394 3.756 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000482138061 862724697 /nfs/dbraw/zinc/72/46/97/862724697.db2.gz BDRWYUYDNKFYMB-SJLPKXTDSA-N 1 0 376.932 3.640 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2cc(C#N)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302223276 855841691 /nfs/dbraw/zinc/84/16/91/855841691.db2.gz UBPQVFNCXRCHTM-HZPDHXFCSA-N 1 0 380.448 3.688 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC4(CC[NH2+]CC4)CC3)cn2)c1 ZINC000591277702 855880250 /nfs/dbraw/zinc/88/02/50/855880250.db2.gz VPNCXFJSXLGOMQ-UHFFFAOYSA-N 1 0 391.475 3.743 20 30 GHEDRO CCN1CC[NH+](C[C@H](C)CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000302631368 855899586 /nfs/dbraw/zinc/89/95/86/855899586.db2.gz GOFZPNHKRNLMSD-CQSZACIVSA-N 1 0 389.906 3.584 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591308986 855902931 /nfs/dbraw/zinc/90/29/31/855902931.db2.gz NPJLPJRAPLXSMG-HNAYVOBHSA-N 1 0 378.501 3.925 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000108507975 855916325 /nfs/dbraw/zinc/91/63/25/855916325.db2.gz QJMHEHLCGWKUSK-QHCPKHFHSA-N 1 0 391.515 3.526 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000760829611 855988344 /nfs/dbraw/zinc/98/83/44/855988344.db2.gz FTEQXXDAHHZBFS-QHCPKHFHSA-N 1 0 389.499 3.593 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccco1 ZINC000171321111 856087548 /nfs/dbraw/zinc/08/75/48/856087548.db2.gz LWKLQECJMMZYNT-HXUWFJFHSA-N 1 0 380.492 3.908 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(F)cc1 ZINC000171315350 856087888 /nfs/dbraw/zinc/08/78/88/856087888.db2.gz QOYIESQTMZGHDJ-OAQYLSRUSA-N 1 0 380.467 3.674 20 30 GHEDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000573445433 856129827 /nfs/dbraw/zinc/12/98/27/856129827.db2.gz VVRYHSGGHBJFBE-QGZVFWFLSA-N 1 0 396.292 3.777 20 30 GHEDRO O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]CC#Cc1cccc(C(F)(F)F)c1 ZINC000905026270 856137866 /nfs/dbraw/zinc/13/78/66/856137866.db2.gz RLPYEUREOWAYPZ-WOJBJXKFSA-N 1 0 377.406 3.521 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000171557230 856183686 /nfs/dbraw/zinc/18/36/86/856183686.db2.gz WPQKMMYBXMKFNJ-HNNXBMFYSA-N 1 0 394.357 3.720 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000760863491 856208461 /nfs/dbraw/zinc/20/84/61/856208461.db2.gz AEFLBFMIVKRBPF-LJQANCHMSA-N 1 0 378.520 3.828 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000591763753 856231419 /nfs/dbraw/zinc/23/14/19/856231419.db2.gz HLAZPDBEYGNXCM-QAPCUYQASA-N 1 0 377.271 3.882 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000171732867 856246272 /nfs/dbraw/zinc/24/62/72/856246272.db2.gz RNELOWGTLNONKZ-UHFFFAOYSA-N 1 0 392.341 3.778 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280842126 856302482 /nfs/dbraw/zinc/30/24/82/856302482.db2.gz LXMKPURVYYJBJC-SCLBCKFNSA-N 1 0 391.924 3.922 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000171945079 856313063 /nfs/dbraw/zinc/31/30/63/856313063.db2.gz DZPSWINXMWBFOZ-WOJBJXKFSA-N 1 0 383.442 3.530 20 30 GHEDRO C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000512119622 856319611 /nfs/dbraw/zinc/31/96/11/856319611.db2.gz SPWXWCHJUVGGPJ-KNQAVFIVSA-N 1 0 382.552 3.992 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000172227058 856374793 /nfs/dbraw/zinc/37/47/93/856374793.db2.gz SSDYWBFFGNFMKF-UHFFFAOYSA-N 1 0 392.503 3.943 20 30 GHEDRO COc1ccc([C@H]2C[C@H]([NH+]3CCN(c4cccc(C#N)c4)CC3)CCO2)cc1 ZINC001168670336 856399051 /nfs/dbraw/zinc/39/90/51/856399051.db2.gz JNANBDZWOHVWAS-FYYLOGMGSA-N 1 0 377.488 3.609 20 30 GHEDRO CC[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000073680091 856436478 /nfs/dbraw/zinc/43/64/78/856436478.db2.gz KQPHUKXRKLKVCA-JOCHJYFZSA-N 1 0 376.504 3.537 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000624838505 856449683 /nfs/dbraw/zinc/44/96/83/856449683.db2.gz IPXJQWWCKVIUKI-UYAOXDASSA-N 1 0 387.572 3.797 20 30 GHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000520782330 856515106 /nfs/dbraw/zinc/51/51/06/856515106.db2.gz IGFZINXQPQOWBN-IYBDPMFKSA-N 1 0 381.442 3.619 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000172651074 856517205 /nfs/dbraw/zinc/51/72/05/856517205.db2.gz LYSOWWPFGGYMJP-UHFFFAOYSA-N 1 0 388.414 3.767 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000110383562 856523418 /nfs/dbraw/zinc/52/34/18/856523418.db2.gz CKHSRCIQFMWOGR-AMZGXZFVSA-N 1 0 389.499 3.637 20 30 GHEDRO N#CC1(CCC[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000592145016 856677779 /nfs/dbraw/zinc/67/77/79/856677779.db2.gz LWTYKPDVXHBJIV-QGZVFWFLSA-N 1 0 386.414 3.699 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000592301848 856772167 /nfs/dbraw/zinc/77/21/67/856772167.db2.gz AQMAXPJIOVZVKJ-UHFFFAOYSA-N 1 0 385.430 3.767 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000058452243 856782840 /nfs/dbraw/zinc/78/28/40/856782840.db2.gz RXILWZSRTMKKCR-UHFFFAOYSA-N 1 0 380.492 3.909 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000592379545 856823727 /nfs/dbraw/zinc/82/37/27/856823727.db2.gz QFFPFIQFVWXBGA-LSJNQWAISA-N 1 0 381.442 3.672 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000063321236 856933294 /nfs/dbraw/zinc/93/32/94/856933294.db2.gz ZFVKWLKWZMCDSH-UHFFFAOYSA-N 1 0 378.476 3.601 20 30 GHEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000517231788 856940320 /nfs/dbraw/zinc/94/03/20/856940320.db2.gz OSGBGYDUCOIPRQ-CQSZACIVSA-N 1 0 396.434 3.744 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@H]2CCCO2)C2CCCC2)sc2c1CCC2 ZINC000173576904 857002128 /nfs/dbraw/zinc/00/21/28/857002128.db2.gz KCMWPVOMXYVROO-MRXNPFEDSA-N 1 0 387.549 3.861 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccs1 ZINC000111770774 857006431 /nfs/dbraw/zinc/00/64/31/857006431.db2.gz LJUFWUVADNIPTA-HXUWFJFHSA-N 1 0 390.512 3.967 20 30 GHEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000508254957 857125506 /nfs/dbraw/zinc/12/55/06/857125506.db2.gz ZMINOODDWRZHAF-QGZVFWFLSA-N 1 0 394.475 3.822 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000173785730 857149177 /nfs/dbraw/zinc/14/91/77/857149177.db2.gz QBIRCEZFBYGUOP-LJQANCHMSA-N 1 0 391.515 3.941 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000173803147 857158552 /nfs/dbraw/zinc/15/85/52/857158552.db2.gz QLBICQDQQIGCNB-LJQANCHMSA-N 1 0 391.515 3.941 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000428184477 857165902 /nfs/dbraw/zinc/16/59/02/857165902.db2.gz NAIPGRIFKAWACU-UHFFFAOYSA-N 1 0 390.512 3.871 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1F ZINC000173836804 857166639 /nfs/dbraw/zinc/16/66/39/857166639.db2.gz FLWLESOKMFHZOB-JKSUJKDBSA-N 1 0 399.466 3.829 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCO)CC1CCCCC1 ZINC000485879826 857181263 /nfs/dbraw/zinc/18/12/63/857181263.db2.gz CDTQPYOQIHTLOZ-QGZVFWFLSA-N 1 0 389.565 3.751 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000112918893 857226186 /nfs/dbraw/zinc/22/61/86/857226186.db2.gz YZWDQDXIKPJKRL-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C#N ZINC000174270318 857239363 /nfs/dbraw/zinc/23/93/63/857239363.db2.gz SKWJFLSBUWRACX-UHFFFAOYSA-N 1 0 390.409 3.739 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Nc3cccc(OC)c3)cn2)CC1 ZINC000667996910 862897850 /nfs/dbraw/zinc/89/78/50/862897850.db2.gz AFVYTBUNZULWPE-UHFFFAOYSA-N 1 0 381.480 3.606 20 30 GHEDRO C=CCOc1ccc(CN(Cc2nnnn2CC(F)(F)F)C(C)(C)C)cc1 ZINC000190940218 857327745 /nfs/dbraw/zinc/32/77/45/857327745.db2.gz NQKPDBMDZMPHGJ-UHFFFAOYSA-N 1 0 383.418 3.601 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000593277666 857475298 /nfs/dbraw/zinc/47/52/98/857475298.db2.gz YOVWVUGDZBGPLH-UHFFFAOYSA-N 1 0 397.544 3.927 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000442094955 857502676 /nfs/dbraw/zinc/50/26/76/857502676.db2.gz YIZRGIHOUUTBBL-CYBMUJFWSA-N 1 0 384.402 3.556 20 30 GHEDRO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000592497895 857573150 /nfs/dbraw/zinc/57/31/50/857573150.db2.gz HFGDDLWDUUOIPK-UHFFFAOYSA-N 1 0 375.476 3.573 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1cccc(C#N)c1 ZINC000467438588 857583977 /nfs/dbraw/zinc/58/39/77/857583977.db2.gz HIZLNUVBEYZKFB-CQSZACIVSA-N 1 0 386.293 3.870 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000521082386 857594057 /nfs/dbraw/zinc/59/40/57/857594057.db2.gz BCEXLUHNMOCODZ-HOCLYGCPSA-N 1 0 379.426 3.836 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442197123 857610554 /nfs/dbraw/zinc/61/05/54/857610554.db2.gz VGSGNBQYOVYCQB-UHFFFAOYSA-N 1 0 384.402 3.700 20 30 GHEDRO CC[C@H](C#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000593578247 857630278 /nfs/dbraw/zinc/63/02/78/857630278.db2.gz QJUIOPJVUKBRAZ-HXUWFJFHSA-N 1 0 376.504 3.540 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499596091 857663373 /nfs/dbraw/zinc/66/33/73/857663373.db2.gz YYGURADGLHJAQV-DLBZAZTESA-N 1 0 378.476 3.694 20 30 GHEDRO CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000521156487 857677644 /nfs/dbraw/zinc/67/76/44/857677644.db2.gz QTJMJNQUZYAZTO-FQEVSTJZSA-N 1 0 379.435 3.656 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)C1=O ZINC000499603352 857705454 /nfs/dbraw/zinc/70/54/54/857705454.db2.gz RISYQXMGSVXPTD-RTWAWAEBSA-N 1 0 394.515 3.673 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CC1CCC(C#N)CC1)CCO2 ZINC000922096921 857815160 /nfs/dbraw/zinc/81/51/60/857815160.db2.gz OEWZBAOKVASBKK-ACBHZAAOSA-N 1 0 391.556 3.855 20 30 GHEDRO Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)n1 ZINC000593998104 857822920 /nfs/dbraw/zinc/82/29/20/857822920.db2.gz TXKZCFRJVVFEGD-UHFFFAOYSA-N 1 0 399.498 3.566 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1F ZINC000466025795 857873229 /nfs/dbraw/zinc/87/32/29/857873229.db2.gz KJLXRTWVGIQYMB-IFMALSPDSA-N 1 0 394.494 3.869 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000574542319 858053768 /nfs/dbraw/zinc/05/37/68/858053768.db2.gz AXWOFQYGWSOEMD-OAQYLSRUSA-N 1 0 396.922 3.890 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000114475578 858054726 /nfs/dbraw/zinc/05/47/26/858054726.db2.gz SCTUZIQHMHPDQA-UHFFFAOYSA-N 1 0 376.932 3.594 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000499649970 858066622 /nfs/dbraw/zinc/06/66/22/858066622.db2.gz ZMIVUMINZPCEMY-DLBZAZTESA-N 1 0 381.289 3.806 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(COC)sc2-c2ccccc2)CC1 ZINC000442733254 858080197 /nfs/dbraw/zinc/08/01/97/858080197.db2.gz PDJMNWZKWAWGII-UHFFFAOYSA-N 1 0 385.533 3.727 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000078602557 858124200 /nfs/dbraw/zinc/12/42/00/858124200.db2.gz VGMJJSTUGANJOL-FQEVSTJZSA-N 1 0 387.524 3.591 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000594438192 858177571 /nfs/dbraw/zinc/17/75/71/858177571.db2.gz HQDIPSXBWLQKLG-HXUWFJFHSA-N 1 0 376.504 3.841 20 30 GHEDRO COc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1NC(=O)C1CCCCC1 ZINC000594443407 858179152 /nfs/dbraw/zinc/17/91/52/858179152.db2.gz HAEVQGNXFIEDTF-KRWDZBQOSA-N 1 0 386.496 3.564 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000442863103 858182644 /nfs/dbraw/zinc/18/26/44/858182644.db2.gz CESBVPOLWFONTP-FUHWJXTLSA-N 1 0 379.460 3.608 20 30 GHEDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594519701 858207462 /nfs/dbraw/zinc/20/74/62/858207462.db2.gz XVJUWPSVWBQBLS-CQSZACIVSA-N 1 0 386.293 3.540 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000594533847 858212612 /nfs/dbraw/zinc/21/26/12/858212612.db2.gz QOUYYPLYNJATCY-MRXNPFEDSA-N 1 0 376.460 3.895 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000442902539 858228652 /nfs/dbraw/zinc/22/86/52/858228652.db2.gz WESZMHWGXWBADO-OAHLLOKOSA-N 1 0 390.447 3.616 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000442902537 858228671 /nfs/dbraw/zinc/22/86/71/858228671.db2.gz WESZMHWGXWBADO-HNNXBMFYSA-N 1 0 390.447 3.616 20 30 GHEDRO N#Cc1cc2c(n(C[C@H]3CCC(F)(F)C3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000594928586 858307072 /nfs/dbraw/zinc/30/70/72/858307072.db2.gz OXOOJQKAXWDWTC-KRWDZBQOSA-N 1 0 383.442 3.714 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000066830505 858316397 /nfs/dbraw/zinc/31/63/97/858316397.db2.gz CHAFOXBOEUSQSN-UHFFFAOYSA-N 1 0 379.504 3.593 20 30 GHEDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000594959469 858345999 /nfs/dbraw/zinc/34/59/99/858345999.db2.gz DJWZTPPAVRQPBH-ZIHSNCGMSA-N 1 0 382.529 3.917 20 30 GHEDRO COc1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)ccc1OC(F)F ZINC000594985029 858358110 /nfs/dbraw/zinc/35/81/10/858358110.db2.gz SLQCYECTUQPCPN-UHFFFAOYSA-N 1 0 388.414 3.964 20 30 GHEDRO C=CCCSCC[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000595059174 858367035 /nfs/dbraw/zinc/36/70/35/858367035.db2.gz MBHKFJUNNQZPHL-OAHLLOKOSA-N 1 0 376.975 3.598 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000574885070 858383504 /nfs/dbraw/zinc/38/35/04/858383504.db2.gz HWLXNMFADGRQJB-UHFFFAOYSA-N 1 0 384.483 3.998 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Br)ccc3F)CC2)nc1 ZINC000067011121 858394903 /nfs/dbraw/zinc/39/49/03/858394903.db2.gz NRAVFYFWSIVLLJ-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000595250406 858452360 /nfs/dbraw/zinc/45/23/60/858452360.db2.gz RNNAJFDKGKANPK-IBGZPJMESA-N 1 0 379.460 3.802 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](O)C34CCCC4)cc2)C1 ZINC000330345690 863028833 /nfs/dbraw/zinc/02/88/33/863028833.db2.gz FMWHHESRAIJUDW-WIYYLYMNSA-N 1 0 385.552 3.712 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000521967867 858492653 /nfs/dbraw/zinc/49/26/53/858492653.db2.gz HVVXVBINUTZMBG-UHFFFAOYSA-N 1 0 392.503 3.940 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000595469920 858540087 /nfs/dbraw/zinc/54/00/87/858540087.db2.gz JTKJIDYZFXIVLM-QHCPKHFHSA-N 1 0 375.516 3.912 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)[NH+]1CCCCC1 ZINC000595510937 858548979 /nfs/dbraw/zinc/54/89/79/858548979.db2.gz FSAQDPPICZRAIV-UYAOXDASSA-N 1 0 384.524 3.557 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000595582382 858559300 /nfs/dbraw/zinc/55/93/00/858559300.db2.gz UPSMHEVNUBDTFF-FNAHDJPLSA-N 1 0 380.536 3.622 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168707976 858563216 /nfs/dbraw/zinc/56/32/16/858563216.db2.gz MKGIBJJTLCIDSW-SFHVURJKSA-N 1 0 379.891 3.573 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000575096906 858585141 /nfs/dbraw/zinc/58/51/41/858585141.db2.gz IOUAPCJOTMCIRB-SWLSCSKDSA-N 1 0 393.256 3.550 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)c1cccc(C#N)c1 ZINC000595640122 858622496 /nfs/dbraw/zinc/62/24/96/858622496.db2.gz OBULXHLTRHSVHK-UHFFFAOYSA-N 1 0 379.508 3.798 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000595603907 858628375 /nfs/dbraw/zinc/62/83/75/858628375.db2.gz QMYBMWLQAUBDAK-ICSRJNTNSA-N 1 0 386.540 3.676 20 30 GHEDRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1OC ZINC000595641079 858634699 /nfs/dbraw/zinc/63/46/99/858634699.db2.gz ZMVOUWIAWXIZAY-MRXNPFEDSA-N 1 0 395.503 3.586 20 30 GHEDRO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1OCC ZINC000595641359 858635608 /nfs/dbraw/zinc/63/56/08/858635608.db2.gz JQVUEQVRUBYFLJ-UHFFFAOYSA-N 1 0 381.476 3.819 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000595642814 858635875 /nfs/dbraw/zinc/63/58/75/858635875.db2.gz UOVPGUFDHKNWDF-QGZVFWFLSA-N 1 0 389.293 3.585 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)[C@H]2C1 ZINC000615182422 858722853 /nfs/dbraw/zinc/72/28/53/858722853.db2.gz JBHXGXFYTQVZHD-YPMHNXCESA-N 1 0 398.322 3.752 20 30 GHEDRO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593130549 858734197 /nfs/dbraw/zinc/73/41/97/858734197.db2.gz AFINNMFHUJZNEI-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000544684959 858738344 /nfs/dbraw/zinc/73/83/44/858738344.db2.gz QZWQDRIUUJTLTF-FGZHOGPDSA-N 1 0 391.540 3.877 20 30 GHEDRO N#Cc1cc2cccnc2nc1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000596184329 858800984 /nfs/dbraw/zinc/80/09/84/858800984.db2.gz HAMQPECNYVXLML-UHFFFAOYSA-N 1 0 387.487 3.631 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000596187007 858802014 /nfs/dbraw/zinc/80/20/14/858802014.db2.gz PECDNQDGACKXIK-UTKZUKDTSA-N 1 0 376.504 3.928 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000596165484 858809887 /nfs/dbraw/zinc/80/98/87/858809887.db2.gz SSAWEIHIVXZKPW-GCJKJVERSA-N 1 0 376.504 3.578 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000121110653 858880309 /nfs/dbraw/zinc/88/03/09/858880309.db2.gz COMPATCIWXQYJL-UHFFFAOYSA-N 1 0 376.476 3.846 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596435313 858896332 /nfs/dbraw/zinc/89/63/32/858896332.db2.gz DPXLKUFEHUMASU-PGRDOPGGSA-N 1 0 376.504 3.578 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2CC2CCC2)sc2c1CCCC2 ZINC000550507768 858908121 /nfs/dbraw/zinc/90/81/21/858908121.db2.gz STODFPNRWHRHAH-MRXNPFEDSA-N 1 0 387.549 3.718 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000184345231 858916444 /nfs/dbraw/zinc/91/64/44/858916444.db2.gz QTOIAANIPSZPMJ-RBZFPXEDSA-N 1 0 388.512 3.963 20 30 GHEDRO N#Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(N)c1[N+](=O)[O-] ZINC000596524748 858922846 /nfs/dbraw/zinc/92/28/46/858922846.db2.gz FKJHHVFYAFEOQI-SFHVURJKSA-N 1 0 391.475 3.763 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CCCC2)c1 ZINC000522278084 858943843 /nfs/dbraw/zinc/94/38/43/858943843.db2.gz IWLHSTFGGBGRDV-JOCHJYFZSA-N 1 0 389.499 3.774 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)NCC1(CC#N)CC1 ZINC000596588310 858953995 /nfs/dbraw/zinc/95/39/95/858953995.db2.gz ZSUQUAMKKUPOAJ-UHFFFAOYSA-N 1 0 376.932 3.887 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000609306372 881364673 /nfs/dbraw/zinc/36/46/73/881364673.db2.gz ILKXTYQGTLUKRR-DLBZAZTESA-N 1 0 379.435 3.846 20 30 GHEDRO CSC[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000429297773 858960650 /nfs/dbraw/zinc/96/06/50/858960650.db2.gz ZZJJJXWHXZKIJT-GOSISDBHSA-N 1 0 396.560 3.979 20 30 GHEDRO CC[C@@H](C)[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000593200067 858966695 /nfs/dbraw/zinc/96/66/95/858966695.db2.gz LGYPGZHFNFAURV-KDOFPFPSSA-N 1 0 396.457 3.799 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000060269516 858997983 /nfs/dbraw/zinc/99/79/83/858997983.db2.gz XEGOJODHWAPKFB-NRFANRHFSA-N 1 0 381.451 3.707 20 30 GHEDRO N#CCSCCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429350904 859118678 /nfs/dbraw/zinc/11/86/78/859118678.db2.gz DKAVBEXAYZNKTN-RXVVDRJESA-N 1 0 386.492 3.813 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000483099353 859136374 /nfs/dbraw/zinc/13/63/74/859136374.db2.gz DTOSMBBJAGNOFX-PZJWPPBQSA-N 1 0 385.479 3.792 20 30 GHEDRO N#Cc1c(F)cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1F ZINC000596994448 859234102 /nfs/dbraw/zinc/23/41/02/859234102.db2.gz ACKLHJFUKCBYHC-UHFFFAOYSA-N 1 0 387.455 3.680 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483273537 859261794 /nfs/dbraw/zinc/26/17/94/859261794.db2.gz UWCLVBZJHWANML-SFHVURJKSA-N 1 0 391.523 3.651 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000483314529 859286973 /nfs/dbraw/zinc/28/69/73/859286973.db2.gz WEXYWWNTJNGKIE-UHFFFAOYSA-N 1 0 397.563 3.858 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)N(CCC#N)c1ccccc1 ZINC000160853581 859287322 /nfs/dbraw/zinc/28/73/22/859287322.db2.gz JTUYPINSVLPSIP-RTBURBONSA-N 1 0 387.487 3.858 20 30 GHEDRO Cn1cc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000185109814 859339549 /nfs/dbraw/zinc/33/95/49/859339549.db2.gz XSOQEOHDPOLCCF-NRFANRHFSA-N 1 0 380.879 3.609 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1OCCCC#N ZINC000597204980 859361081 /nfs/dbraw/zinc/36/10/81/859361081.db2.gz BJYDGCJKORIVSN-FCHUYYIVSA-N 1 0 394.515 3.976 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccc(C#N)cc1F ZINC000429439372 859373499 /nfs/dbraw/zinc/37/34/99/859373499.db2.gz DDZNCAUCPNMWSK-DZGCQCFKSA-N 1 0 391.284 3.962 20 30 GHEDRO COC(=O)CC[N@H+](Cc1cc(C#N)cs1)Cc1cccc(Br)c1 ZINC000483441333 859377042 /nfs/dbraw/zinc/37/70/42/859377042.db2.gz QGWIZMZBNNURDZ-UHFFFAOYSA-N 1 0 393.306 3.948 20 30 GHEDRO CC1(C)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1c1ccco1 ZINC000601620848 859382756 /nfs/dbraw/zinc/38/27/56/859382756.db2.gz QCRJYAMUXZPILS-NRFANRHFSA-N 1 0 392.503 3.908 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000429445924 859385734 /nfs/dbraw/zinc/38/57/34/859385734.db2.gz GCBDKFCIZIHDRA-UONOGXRCSA-N 1 0 391.284 3.962 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCc4cc(F)ccc43)CC2)c1 ZINC000593317012 859394795 /nfs/dbraw/zinc/39/47/95/859394795.db2.gz NUZXCMAJEOYRJG-QFIPXVFZSA-N 1 0 392.478 3.648 20 30 GHEDRO COC1(c2noc(CC3CC[NH+](Cc4cc(C#N)cs4)CC3)n2)CCCC1 ZINC000597252117 859397565 /nfs/dbraw/zinc/39/75/65/859397565.db2.gz QYZCCIFTCUJZBJ-UHFFFAOYSA-N 1 0 386.521 3.873 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000597289660 859411036 /nfs/dbraw/zinc/41/10/36/859411036.db2.gz DAPHPMVQTDNASJ-KPZWWZAWSA-N 1 0 375.444 3.711 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCc3ccccc3Cl)CC2)c1 ZINC000593330641 859431137 /nfs/dbraw/zinc/43/11/37/859431137.db2.gz JKQOMXGNTVZCLC-UHFFFAOYSA-N 1 0 396.922 3.718 20 30 GHEDRO N#CC1(c2ccccc2)CCC(n2cc(C[C@@H]([NH3+])C(N)=O)c3ccccc32)CC1 ZINC001170362238 881425662 /nfs/dbraw/zinc/42/56/62/881425662.db2.gz RJIMKQMLVIIZAV-KWLQHXCVSA-N 1 0 386.499 3.573 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1 ZINC000483612406 859487433 /nfs/dbraw/zinc/48/74/33/859487433.db2.gz IACYYGRXHFDPGU-GOSISDBHSA-N 1 0 395.503 3.601 20 30 GHEDRO C[C@](CO)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000483653001 859524867 /nfs/dbraw/zinc/52/48/67/859524867.db2.gz ULZMYEPKTJLPLV-XMMPIXPASA-N 1 0 388.515 3.795 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C/C=C\c3cccc(F)c3)CC2)c1 ZINC000593352901 859536893 /nfs/dbraw/zinc/53/68/93/859536893.db2.gz HCLTWJACJURQKO-HYXAFXHYSA-N 1 0 377.463 3.881 20 30 GHEDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352889 859537240 /nfs/dbraw/zinc/53/72/40/859537240.db2.gz GWZBZUMBRJLVPB-UXHICEINSA-N 1 0 379.529 3.813 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000593355667 859544244 /nfs/dbraw/zinc/54/42/44/859544244.db2.gz XZCHSUMRTZYLDQ-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000597454274 859544372 /nfs/dbraw/zinc/54/43/72/859544372.db2.gz LRTFWJQBCMMJSM-UHFFFAOYSA-N 1 0 395.453 3.965 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(-c4ccccc4)no3)CC2)c1 ZINC000593353795 859549023 /nfs/dbraw/zinc/54/90/23/859549023.db2.gz FZVHMFPGOAVFGW-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO Cc1cccc(OCCCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593354174 859551988 /nfs/dbraw/zinc/55/19/88/859551988.db2.gz XRBBSDTZSWONGO-UHFFFAOYSA-N 1 0 391.515 3.807 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)CC2)c1 ZINC000593354563 859555141 /nfs/dbraw/zinc/55/51/41/859555141.db2.gz SAHYHVYCMXFUQD-WOJBJXKFSA-N 1 0 395.453 3.721 20 30 GHEDRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000025302164 859559422 /nfs/dbraw/zinc/55/94/22/859559422.db2.gz NNHNTYOEIMCLMS-NFBKMPQASA-N 1 0 380.488 3.924 20 30 GHEDRO CC(C)(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(F)c1 ZINC000593355778 859564325 /nfs/dbraw/zinc/56/43/25/859564325.db2.gz ZVMSLUIHHFZLMQ-UHFFFAOYSA-N 1 0 379.479 3.756 20 30 GHEDRO Cc1cccc(C)c1OCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000060575962 859571310 /nfs/dbraw/zinc/57/13/10/859571310.db2.gz LJBXDWUHDJKMSZ-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000106275104 859595133 /nfs/dbraw/zinc/59/51/33/859595133.db2.gz LUFQQRQYSHFJHU-IBGZPJMESA-N 1 0 387.524 3.591 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C#N ZINC000611126918 859614701 /nfs/dbraw/zinc/61/47/01/859614701.db2.gz OTVOPXXPYRMGFD-MRXNPFEDSA-N 1 0 375.428 3.866 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1C#N ZINC000611166354 859630871 /nfs/dbraw/zinc/63/08/71/859630871.db2.gz WDWRURFHPZSEAJ-UHFFFAOYSA-N 1 0 393.422 3.617 20 30 GHEDRO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]C1CCN(CC#N)CC1 ZINC000611198710 859638629 /nfs/dbraw/zinc/63/86/29/859638629.db2.gz RJOFCCJSDWPWCI-UHFFFAOYSA-N 1 0 385.943 3.901 20 30 GHEDRO C[C@H]1[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC(=O)N1Cc1ccccc1 ZINC000466478251 859665188 /nfs/dbraw/zinc/66/51/88/859665188.db2.gz YFMJSTXDXLISLM-PGRDOPGGSA-N 1 0 377.488 3.648 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC([NH+]3CCCCC3)CC2)nc1-c1ccccn1 ZINC000764926354 859683743 /nfs/dbraw/zinc/68/37/43/859683743.db2.gz SKUQFUKYVZYKKT-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000118020255 859688542 /nfs/dbraw/zinc/68/85/42/859688542.db2.gz OBELJNGQUMOXQV-IBGZPJMESA-N 1 0 394.475 3.583 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(c4ccccc4C(F)(F)F)C3)n2c1 ZINC000185204420 859694904 /nfs/dbraw/zinc/69/49/04/859694904.db2.gz INCFSARRFHFHNX-HNNXBMFYSA-N 1 0 385.393 3.593 20 30 GHEDRO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000611322724 859695965 /nfs/dbraw/zinc/69/59/65/859695965.db2.gz YBFFRTOAVHQDFX-HXOBKFHXSA-N 1 0 395.551 3.679 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](C[C@H]3CCOC3)C1)CCC2 ZINC000611350248 859713688 /nfs/dbraw/zinc/71/36/88/859713688.db2.gz FZDMFEJRLQLTQN-HZPDHXFCSA-N 1 0 387.549 3.576 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1C ZINC000611350080 859713748 /nfs/dbraw/zinc/71/37/48/859713748.db2.gz AQKIAAANIFMGCN-RTWAWAEBSA-N 1 0 383.536 3.689 20 30 GHEDRO Cc1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2cc(F)ccc2[nH+]1 ZINC000611370155 859725191 /nfs/dbraw/zinc/72/51/91/859725191.db2.gz QWCCXILBIKJCKP-UHFFFAOYSA-N 1 0 377.423 3.746 20 30 GHEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000611387895 859732882 /nfs/dbraw/zinc/73/28/82/859732882.db2.gz HNSVYZNUKIVYKA-OXQOHEQNSA-N 1 0 393.487 3.590 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cn2)C[C@@H](C)O1 ZINC000611390811 859734301 /nfs/dbraw/zinc/73/43/01/859734301.db2.gz STUHMACMQUHDAU-YVHKJVDXSA-N 1 0 376.504 3.734 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593401622 859740724 /nfs/dbraw/zinc/74/07/24/859740724.db2.gz DEBLXSIMEAWBNE-QFIPXVFZSA-N 1 0 388.515 3.884 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000611391043 859742234 /nfs/dbraw/zinc/74/22/34/859742234.db2.gz NMCLMDRVWZFCEF-QMHKHESXSA-N 1 0 389.499 3.944 20 30 GHEDRO COc1cc2c(cc1OC)[C@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CCCC2 ZINC000895657009 859763550 /nfs/dbraw/zinc/76/35/50/859763550.db2.gz YWKXABXADIVLDB-LJQANCHMSA-N 1 0 376.460 3.780 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000611468443 859772399 /nfs/dbraw/zinc/77/23/99/859772399.db2.gz RXHXTENRVLIGJY-HSZRJFAPSA-N 1 0 388.515 3.745 20 30 GHEDRO CC(C)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1=CCCC1 ZINC000593413781 859790025 /nfs/dbraw/zinc/79/00/25/859790025.db2.gz BOAZJKGBSXLAPP-UHFFFAOYSA-N 1 0 380.536 3.958 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)CC2)c1 ZINC000552110868 859806190 /nfs/dbraw/zinc/80/61/90/859806190.db2.gz FEXFJRAJWFRKJC-FQEVSTJZSA-N 1 0 395.453 3.821 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(N4CCCC4)c3)CC2)c1 ZINC000597820484 859829650 /nfs/dbraw/zinc/82/96/50/859829650.db2.gz NLTHFUXSDVQEQG-UHFFFAOYSA-N 1 0 388.515 3.553 20 30 GHEDRO Cn1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1-c1ccccc1 ZINC000597823103 859831758 /nfs/dbraw/zinc/83/17/58/859831758.db2.gz XMODIRPRPCBXIG-UHFFFAOYSA-N 1 0 398.510 3.958 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000765247100 859864813 /nfs/dbraw/zinc/86/48/13/859864813.db2.gz PLROAFZAIYEQKD-OXQOHEQNSA-N 1 0 388.471 3.501 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000597856547 859875041 /nfs/dbraw/zinc/87/50/41/859875041.db2.gz ZCCZXIVYPROGSV-INIZCTEOSA-N 1 0 381.476 3.580 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465590015 859877149 /nfs/dbraw/zinc/87/71/49/859877149.db2.gz CRXJAKPICXCVFW-BAGYTPMASA-N 1 0 382.552 3.980 20 30 GHEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000668330603 859895211 /nfs/dbraw/zinc/89/52/11/859895211.db2.gz VQZXIQIGFKJDIF-GFCCVEGCSA-N 1 0 386.311 3.800 20 30 GHEDRO C[NH+]1CCC(n2cc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cn2)CC1 ZINC000602317333 859949115 /nfs/dbraw/zinc/94/91/15/859949115.db2.gz FUSNRWKVCNMEKB-FQEVSTJZSA-N 1 0 380.496 3.706 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cnc2ccc(C#N)cn12 ZINC000092078274 859986944 /nfs/dbraw/zinc/98/69/44/859986944.db2.gz YTMZIUJOSCEFQX-UHFFFAOYSA-N 1 0 388.450 3.800 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c([N+](=O)[O-])c1 ZINC001170351411 881486864 /nfs/dbraw/zinc/48/68/64/881486864.db2.gz GCOIFXQHUYJKCY-OXQOHEQNSA-N 1 0 395.459 3.949 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508920015 860018394 /nfs/dbraw/zinc/01/83/94/860018394.db2.gz SJNCKCPDYBVUNZ-UHFFFAOYSA-N 1 0 382.556 3.783 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N(CC3CC3)CC3CCC3)CC2)c1 ZINC000593514043 860099969 /nfs/dbraw/zinc/09/99/69/860099969.db2.gz NGMHQPWYZRRJSU-UHFFFAOYSA-N 1 0 380.536 3.744 20 30 GHEDRO C=C(C)CN(CC)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000102045156 860112630 /nfs/dbraw/zinc/11/26/30/860112630.db2.gz TZZAUQQNHITXEQ-QGZVFWFLSA-N 1 0 376.520 3.636 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC000602561064 860113131 /nfs/dbraw/zinc/11/31/31/860113131.db2.gz QPCCXXKMLZNCSM-HUUCEWRRSA-N 1 0 381.314 3.905 20 30 GHEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000602569196 860119714 /nfs/dbraw/zinc/11/97/14/860119714.db2.gz NTCBYGMHKNVZQJ-HNNXBMFYSA-N 1 0 375.469 3.656 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508936695 860124056 /nfs/dbraw/zinc/12/40/56/860124056.db2.gz SUZKBMKQOFDJFL-UHFFFAOYSA-N 1 0 390.535 3.532 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no1)C2 ZINC000904116027 860144484 /nfs/dbraw/zinc/14/44/84/860144484.db2.gz GAMHTSZIJHXPGW-XQZPOBRMSA-N 1 0 380.345 3.754 20 30 GHEDRO Cc1ncc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)n1-c1ccccc1 ZINC000092854198 860147357 /nfs/dbraw/zinc/14/73/57/860147357.db2.gz OSXXAHKKEZVXQR-UHFFFAOYSA-N 1 0 387.487 3.927 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000602627486 860155064 /nfs/dbraw/zinc/15/50/64/860155064.db2.gz DQDGSDFSKJWEJS-UHFFFAOYSA-N 1 0 395.503 3.584 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000598218037 860164360 /nfs/dbraw/zinc/16/43/60/860164360.db2.gz CWZZHMQWRPJWAS-LJQANCHMSA-N 1 0 393.487 3.867 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001168544390 860192404 /nfs/dbraw/zinc/19/24/04/860192404.db2.gz OJJXPSBWUYFALC-SGMUETJSSA-N 1 0 384.549 3.855 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000602677682 860213033 /nfs/dbraw/zinc/21/30/33/860213033.db2.gz RHNLEOCGKSOTCR-VQCLRJIVSA-N 1 0 381.314 3.943 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(c3c(C#N)cnc4c(Br)cccc43)C2)C1 ZINC000555206692 860225972 /nfs/dbraw/zinc/22/59/72/860225972.db2.gz NRMWXOCICLOAND-LJQANCHMSA-N 1 0 385.309 3.791 20 30 GHEDRO C=CCn1c(N2CCC([NH2+]C(C)C)CC2)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000508954471 860250723 /nfs/dbraw/zinc/25/07/23/860250723.db2.gz XQWNWBSVZWBBRB-UHFFFAOYSA-N 1 0 383.584 3.899 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccsc1C#N ZINC000593538189 860266412 /nfs/dbraw/zinc/26/64/12/860266412.db2.gz QWCAXRZQFLSNKF-UHFFFAOYSA-N 1 0 383.583 3.720 20 30 GHEDRO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ccc1F ZINC000598396253 860279645 /nfs/dbraw/zinc/27/96/45/860279645.db2.gz IILQLNPZXZFCTN-FQEVSTJZSA-N 1 0 377.463 3.729 20 30 GHEDRO N#Cc1cccc(CC[NH2+]Cc2ncc(Br)cc2Br)c1 ZINC000466422182 860303878 /nfs/dbraw/zinc/30/38/78/860303878.db2.gz QOWRNKZPCUHRAE-UHFFFAOYSA-N 1 0 395.098 3.811 20 30 GHEDRO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H](C)N1CC#N ZINC000602865578 860321251 /nfs/dbraw/zinc/32/12/51/860321251.db2.gz UAJUDPNFDVHUNN-OALUTQOASA-N 1 0 392.503 3.726 20 30 GHEDRO CC1(COc2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cn2)COC1 ZINC001170371971 881532986 /nfs/dbraw/zinc/53/29/86/881532986.db2.gz QRZINPVHPCSWGO-UHFFFAOYSA-N 1 0 391.515 3.991 20 30 GHEDRO N#Cc1ccccc1NC1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000602902961 860354824 /nfs/dbraw/zinc/35/48/24/860354824.db2.gz YCZWAUPRTUZZIE-NRFANRHFSA-N 1 0 392.528 3.938 20 30 GHEDRO COc1ccc(O[C@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)nc1 ZINC001170398637 881532703 /nfs/dbraw/zinc/53/27/03/881532703.db2.gz RKBXVRMKPFEAPZ-SWCONJRYSA-N 1 0 377.488 3.947 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000598558701 860394645 /nfs/dbraw/zinc/39/46/45/860394645.db2.gz CRHDBECNIRUOCM-SFHVURJKSA-N 1 0 393.487 3.582 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCC[N@H+](CC4CC4)C3)o2)cc1 ZINC000598562083 860397167 /nfs/dbraw/zinc/39/71/67/860397167.db2.gz SRUZNMDWPIVXQS-LJQANCHMSA-N 1 0 393.487 3.582 20 30 GHEDRO C[NH+](C)CCOc1ccc(CNCc2cc(C#N)ccc2Br)cc1 ZINC000921548829 860408677 /nfs/dbraw/zinc/40/86/77/860408677.db2.gz ZTVSUGFQPOUJSW-UHFFFAOYSA-N 1 0 388.309 3.551 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000484856752 860411567 /nfs/dbraw/zinc/41/15/67/860411567.db2.gz MIWPURYWGLTOHC-VAMGGRTRSA-N 1 0 389.588 3.918 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000124544524 860418377 /nfs/dbraw/zinc/41/83/77/860418377.db2.gz WFUUMCFYCKDDIX-UHFFFAOYSA-N 1 0 393.487 3.574 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CC[C@@H](C)C1 ZINC000484865032 860419119 /nfs/dbraw/zinc/41/91/19/860419119.db2.gz NHHKUUZJCIEFNH-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000598594220 860437139 /nfs/dbraw/zinc/43/71/39/860437139.db2.gz ZVULAMUJVBEYCV-XJKSGUPXSA-N 1 0 398.288 3.729 20 30 GHEDRO Cc1nc2c(cccc2NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000603029027 860438238 /nfs/dbraw/zinc/43/82/38/860438238.db2.gz JLFJVTSVGPCGFQ-UHFFFAOYSA-N 1 0 389.459 3.794 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000329833240 860442219 /nfs/dbraw/zinc/44/22/19/860442219.db2.gz UEDYZHCZZDILQW-TTYHFUOFSA-N 1 0 380.492 3.760 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CC[C@H](C)C1 ZINC000484896185 860444844 /nfs/dbraw/zinc/44/48/44/860444844.db2.gz RMSIRGJSYDMCNP-JKSUJKDBSA-N 1 0 389.565 3.964 20 30 GHEDRO N#CCCc1ccc(NC(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000904540421 860501418 /nfs/dbraw/zinc/50/14/18/860501418.db2.gz ZJNLZLZLNQALOQ-SIKLNZKXSA-N 1 0 376.460 3.520 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)CC1 ZINC001170381632 881557222 /nfs/dbraw/zinc/55/72/22/881557222.db2.gz UCNDFRSIXJIDLA-SNIUIWFXSA-N 1 0 392.572 3.911 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(C#N)c1C ZINC000509035420 860642566 /nfs/dbraw/zinc/64/25/66/860642566.db2.gz SIJRBRDPQPEWTB-UHFFFAOYSA-N 1 0 375.476 3.811 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)c1 ZINC000896363333 860674447 /nfs/dbraw/zinc/67/44/47/860674447.db2.gz WKBQXOTYLKOGDR-SIKLNZKXSA-N 1 0 395.503 3.732 20 30 GHEDRO C=C(C)C[N@@H+](CC)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000098081214 860716323 /nfs/dbraw/zinc/71/63/23/860716323.db2.gz YMOCNMQQVNRNOW-UHFFFAOYSA-N 1 0 382.504 3.807 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000494324048 881579098 /nfs/dbraw/zinc/57/90/98/881579098.db2.gz AACRIZIVAOEWIT-IAGOWNOFSA-N 1 0 381.476 3.580 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCC[C@H](C)C1 ZINC000494324049 881579527 /nfs/dbraw/zinc/57/95/27/881579527.db2.gz AACRIZIVAOEWIT-IRXDYDNUSA-N 1 0 381.476 3.580 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)c1 ZINC000593687579 860819310 /nfs/dbraw/zinc/81/93/10/860819310.db2.gz IZEXPMQTMUUSDG-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccc4c(c3)OCCCCO4)CC2)c1 ZINC000593691485 860883409 /nfs/dbraw/zinc/88/34/09/860883409.db2.gz AOPZGMYWNUWHEV-UHFFFAOYSA-N 1 0 391.515 3.864 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000156652628 860910457 /nfs/dbraw/zinc/91/04/57/860910457.db2.gz XGIKMUYYLWMDOQ-OAQYLSRUSA-N 1 0 380.879 3.609 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000329005145 860942625 /nfs/dbraw/zinc/94/26/25/860942625.db2.gz XFKYGYYLRANHFU-YESZJQIVSA-N 1 0 389.515 3.990 20 30 GHEDRO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)[C@H](c2ccccc2)C1 ZINC000329034643 860965063 /nfs/dbraw/zinc/96/50/63/860965063.db2.gz QTXAAVHOAIYRBQ-GIVPXCGWSA-N 1 0 398.551 3.609 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168528805 860976206 /nfs/dbraw/zinc/97/62/06/860976206.db2.gz NHNIKSJNJSSJRM-PMPSAXMXSA-N 1 0 391.478 3.557 20 30 GHEDRO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000156834665 860986098 /nfs/dbraw/zinc/98/60/98/860986098.db2.gz SKFLDJFIAYZNGW-GOSISDBHSA-N 1 0 387.487 3.554 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)CCOCC1 ZINC000599291892 861009527 /nfs/dbraw/zinc/00/95/27/861009527.db2.gz VHRZYHXUTWZEDP-SFHVURJKSA-N 1 0 385.483 3.558 20 30 GHEDRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000329098055 861013959 /nfs/dbraw/zinc/01/39/59/861013959.db2.gz LUANPUXYBYAFPH-HBMCJLEFSA-N 1 0 381.520 3.678 20 30 GHEDRO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329102195 861020102 /nfs/dbraw/zinc/02/01/02/861020102.db2.gz ZZCYCQNUATUSDB-OALUTQOASA-N 1 0 387.524 3.740 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCCC[NH+]3CCCCC3)cn2)c1 ZINC000603691788 861027412 /nfs/dbraw/zinc/02/74/12/861027412.db2.gz CYKQRRLLJBICFC-UHFFFAOYSA-N 1 0 379.464 3.743 20 30 GHEDRO Cc1nc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)ccc1C#N ZINC000603694401 861030614 /nfs/dbraw/zinc/03/06/14/861030614.db2.gz FOOFXHXDMHBDLI-IRXDYDNUSA-N 1 0 376.504 3.670 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000329118107 861035705 /nfs/dbraw/zinc/03/57/05/861035705.db2.gz OGSPGIPIMYLWJJ-HKZYLEAXSA-N 1 0 384.480 3.577 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000329120360 861039166 /nfs/dbraw/zinc/03/91/66/861039166.db2.gz PTUYWMSRVFQSGD-TXEJJXNPSA-N 1 0 383.464 3.851 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)NCCSCc2ccccc2C#N)c1 ZINC000603696367 861053241 /nfs/dbraw/zinc/05/32/41/861053241.db2.gz BVRMXBQCENPPFE-UHFFFAOYSA-N 1 0 398.532 3.554 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000329145199 861064492 /nfs/dbraw/zinc/06/44/92/861064492.db2.gz ACGCYKPESVPNNZ-QZTJIDSGSA-N 1 0 386.521 3.826 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000329146599 861065563 /nfs/dbraw/zinc/06/55/63/861065563.db2.gz XGDUDHJGVLLYQV-VCAKCUHFSA-N 1 0 398.551 3.645 20 30 GHEDRO Cc1c(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)sc2nccn12 ZINC000329180379 861112690 /nfs/dbraw/zinc/11/26/90/861112690.db2.gz NAJMWZLXWWISTR-UHFFFAOYSA-N 1 0 383.521 3.871 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000599359194 861125956 /nfs/dbraw/zinc/12/59/56/861125956.db2.gz LDPXKVLOTLGXJP-DENIHFKCSA-N 1 0 378.516 3.868 20 30 GHEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c(C(F)(F)F)c1 ZINC000599396269 861134170 /nfs/dbraw/zinc/13/41/70/861134170.db2.gz SWZOCDLILIMAGP-FQEVSTJZSA-N 1 0 390.405 3.731 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]CCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000600149859 861141365 /nfs/dbraw/zinc/14/13/65/861141365.db2.gz FEVMJWLDZGWTFO-LJQANCHMSA-N 1 0 387.405 3.510 20 30 GHEDRO CC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cc(F)cc(Br)c1 ZINC000599382762 861145899 /nfs/dbraw/zinc/14/58/99/861145899.db2.gz YZIUOXTZTCWNQE-IRXDYDNUSA-N 1 0 399.304 3.700 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CC3(C#N)CCCCC3)C2)ccn1 ZINC000856645966 881617974 /nfs/dbraw/zinc/61/79/74/881617974.db2.gz NULZVSJEZHNVFI-OAQYLSRUSA-N 1 0 398.551 3.766 20 30 GHEDRO CC1(c2ccc(Cl)cc2)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599392030 861155082 /nfs/dbraw/zinc/15/50/82/861155082.db2.gz PDIXUJCKSPMPEO-LJQANCHMSA-N 1 0 376.928 3.765 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185665753 861157984 /nfs/dbraw/zinc/15/79/84/861157984.db2.gz KKPJSUVKQHHSOF-LEWJYISDSA-N 1 0 396.579 3.793 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161707746 861178818 /nfs/dbraw/zinc/17/88/18/861178818.db2.gz IFSZSIALBPEPMF-QGZVFWFLSA-N 1 0 386.503 3.767 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)C(=O)N1CCCCC1 ZINC000329234063 861179886 /nfs/dbraw/zinc/17/98/86/861179886.db2.gz HKIOHQMSWHLCHG-ZWKOTPCHSA-N 1 0 389.515 3.753 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(Br)cc1F ZINC000599416784 861186252 /nfs/dbraw/zinc/18/62/52/861186252.db2.gz NJVIAIIBTMGANH-WFASDCNBSA-N 1 0 393.256 3.550 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCc3ccc(O)c(F)c3)CC2)c1 ZINC000593886930 863122042 /nfs/dbraw/zinc/12/20/42/863122042.db2.gz UDWPDBOKLIDZQC-UHFFFAOYSA-N 1 0 395.478 3.506 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159940148 863194342 /nfs/dbraw/zinc/19/43/42/863194342.db2.gz BAAATGADINLITH-DLBZAZTESA-N 1 0 395.532 3.583 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000171038469 863228753 /nfs/dbraw/zinc/22/87/53/863228753.db2.gz YMGOEBZZMNMDNV-UHFFFAOYSA-N 1 0 376.504 3.537 20 30 GHEDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160184693 863387963 /nfs/dbraw/zinc/38/79/63/863387963.db2.gz TWNJKLXJYLVGPL-PKOBYXMFSA-N 1 0 394.494 3.697 20 30 GHEDRO CCOc1cccc2cc([C@H](C)NC(N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)=[NH+]C)oc21 ZINC000262392899 863452672 /nfs/dbraw/zinc/45/26/72/863452672.db2.gz MLXPFAWRJFNMIT-ITDSCVKFSA-N 1 0 385.508 3.871 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000598266704 881672801 /nfs/dbraw/zinc/67/28/01/881672801.db2.gz ZZCOVRVTBSYORK-KRWDZBQOSA-N 1 0 381.476 3.580 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444172059 863589150 /nfs/dbraw/zinc/58/91/50/863589150.db2.gz ZETYBFNNFLXXFW-CYIBOSRVSA-N 1 0 397.563 3.844 20 30 GHEDRO C=CC[N@H+](Cc1ccc(Br)cn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629817 881689248 /nfs/dbraw/zinc/68/92/48/881689248.db2.gz HARBHQOKCGHUCS-AWEZNQCLSA-N 1 0 399.296 3.569 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC[N@@H+](C3CCCC3)CC2)cc1C ZINC000172582094 863776058 /nfs/dbraw/zinc/77/60/58/863776058.db2.gz RIFRALCIOBHJPO-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1OCC ZINC000494432859 881717616 /nfs/dbraw/zinc/71/76/16/881717616.db2.gz VBTIIVAGKKYGMX-CVEARBPZSA-N 1 0 384.314 3.662 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1c(C)c(C(F)(F)F)nn1C)C(C)C ZINC000480128063 864106831 /nfs/dbraw/zinc/10/68/31/864106831.db2.gz ZRGLINHNESXNPF-AWEZNQCLSA-N 1 0 387.450 3.567 20 30 GHEDRO Cc1ccc(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000734362539 864177304 /nfs/dbraw/zinc/17/73/04/864177304.db2.gz QYJLFZHBCATIFU-KRWDZBQOSA-N 1 0 381.549 3.883 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNCc1ccc(Br)cc1 ZINC000734365467 864178518 /nfs/dbraw/zinc/17/85/18/864178518.db2.gz IORMXIDNNCXKSX-OAHLLOKOSA-N 1 0 387.325 3.832 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898628278 864305206 /nfs/dbraw/zinc/30/52/06/864305206.db2.gz WSMUBOXLBYICDW-UHFFFAOYSA-N 1 0 389.499 3.598 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000554449469 864338708 /nfs/dbraw/zinc/33/87/08/864338708.db2.gz CZQBPRFUAPUNTD-IBGZPJMESA-N 1 0 385.533 3.949 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000734658867 864376128 /nfs/dbraw/zinc/37/61/28/864376128.db2.gz LYJDVPSQFXEGDG-YADHBBJMSA-N 1 0 378.520 3.835 20 30 GHEDRO CCC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)cc1 ZINC000063286425 864443115 /nfs/dbraw/zinc/44/31/15/864443115.db2.gz XOSOPWZXRJBRDH-UHFFFAOYSA-N 1 0 386.517 3.643 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1cccc(C#N)c1 ZINC000063300911 864506100 /nfs/dbraw/zinc/50/61/00/864506100.db2.gz YVOPBSDISHPOBV-UHFFFAOYSA-N 1 0 378.432 3.792 20 30 GHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508793419 864521216 /nfs/dbraw/zinc/52/12/16/864521216.db2.gz HRNBYOJJXOBBPJ-UHFFFAOYSA-N 1 0 391.466 3.699 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1scnc1C1CCCC1 ZINC000184860769 864993471 /nfs/dbraw/zinc/99/34/71/864993471.db2.gz WVTQHCGINXOFGG-UHFFFAOYSA-N 1 0 382.533 3.876 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)cc1 ZINC000475422058 864999450 /nfs/dbraw/zinc/99/94/50/864999450.db2.gz GXLXGONFMCFIGL-UHFFFAOYSA-N 1 0 390.462 3.986 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc(OC)c1O ZINC000897267517 865038073 /nfs/dbraw/zinc/03/80/73/865038073.db2.gz KPCBIWZAHHHMTP-FQEVSTJZSA-N 1 0 395.499 3.980 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(OC)c1 ZINC000608166428 865042576 /nfs/dbraw/zinc/04/25/76/865042576.db2.gz GWFIEAVIQWPBLK-OAQYLSRUSA-N 1 0 394.515 3.535 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)Nc3ccccc3C#N)C2)s1 ZINC000554852113 865045643 /nfs/dbraw/zinc/04/56/43/865045643.db2.gz SDIPJDIFZJSDNS-ZWKOTPCHSA-N 1 0 396.560 3.709 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C)c2Br)CC1 ZINC000189391195 881840161 /nfs/dbraw/zinc/84/01/61/881840161.db2.gz UCIKVWGZHSAVEU-UHFFFAOYSA-N 1 0 380.330 3.597 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000554994351 865292757 /nfs/dbraw/zinc/29/27/57/865292757.db2.gz JLZVMVUCJNULLZ-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO CC(C)[N@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000063750537 865303967 /nfs/dbraw/zinc/30/39/67/865303967.db2.gz SWNUESMPUWKOOV-MRXNPFEDSA-N 1 0 385.458 3.794 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2c(C)cc(C#N)cc2C)c1 ZINC000899123947 865341887 /nfs/dbraw/zinc/34/18/87/865341887.db2.gz KJIVWJXETFUKAE-UHFFFAOYSA-N 1 0 378.476 3.708 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)CC1 ZINC000171720823 865343875 /nfs/dbraw/zinc/34/38/75/865343875.db2.gz VPORDUBKATWZHQ-UHFFFAOYSA-N 1 0 394.450 3.718 20 30 GHEDRO C#Cc1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)nc1 ZINC000776905345 881875480 /nfs/dbraw/zinc/87/54/80/881875480.db2.gz ZUDJLUXVMZXGHU-FQEVSTJZSA-N 1 0 383.442 3.687 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000555100037 865493570 /nfs/dbraw/zinc/49/35/70/865493570.db2.gz XUZXREREKRHMSN-IBGZPJMESA-N 1 0 377.410 3.978 20 30 GHEDRO C[C@](CO)([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000133035101 881876762 /nfs/dbraw/zinc/87/67/62/881876762.db2.gz RNSGTMYVQXBKHD-HXUWFJFHSA-N 1 0 377.916 3.508 20 30 GHEDRO N#Cc1cc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000555156667 865621397 /nfs/dbraw/zinc/62/13/97/865621397.db2.gz WXEGJTFMDCNGQE-KRWDZBQOSA-N 1 0 379.464 3.763 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000594304622 865739618 /nfs/dbraw/zinc/73/96/18/865739618.db2.gz UMOIVSFIKQAVJM-UXHICEINSA-N 1 0 375.516 3.860 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(Cc2ccsc2)CC1 ZINC000555244750 865779453 /nfs/dbraw/zinc/77/94/53/865779453.db2.gz RBMFCOYYBDWEPJ-UHFFFAOYSA-N 1 0 397.548 3.616 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000739998674 865822963 /nfs/dbraw/zinc/82/29/63/865822963.db2.gz IJUJLKZHZTWDBM-VGSWGCGISA-N 1 0 377.488 3.588 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740058219 865837845 /nfs/dbraw/zinc/83/78/45/865837845.db2.gz UOOUVFIASHSBNZ-UHFFFAOYSA-N 1 0 380.517 3.736 20 30 GHEDRO N#Cc1cccc(NCC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000494560900 881911237 /nfs/dbraw/zinc/91/12/37/881911237.db2.gz CBBINGPPEZINCU-HXUWFJFHSA-N 1 0 382.895 3.577 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740026193 865847053 /nfs/dbraw/zinc/84/70/53/865847053.db2.gz SWBNDCKCOCYCAZ-UHFFFAOYSA-N 1 0 382.533 3.960 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000174145804 865882228 /nfs/dbraw/zinc/88/22/28/865882228.db2.gz MUOUSAOZBYCSBB-NRFANRHFSA-N 1 0 377.488 3.596 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740478836 865939793 /nfs/dbraw/zinc/93/97/93/865939793.db2.gz ORTBJUYUIFINBN-QGZVFWFLSA-N 1 0 382.533 3.818 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000740865139 866054307 /nfs/dbraw/zinc/05/43/07/866054307.db2.gz OHEOOTVSCXKNRN-HXUWFJFHSA-N 1 0 385.515 3.976 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000303771149 866328335 /nfs/dbraw/zinc/32/83/35/866328335.db2.gz CLCNCJCOEUZAFO-IBGZPJMESA-N 1 0 388.487 3.653 20 30 GHEDRO C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456353590 866476683 /nfs/dbraw/zinc/47/66/83/866476683.db2.gz ZNMRUDHSWDOMKU-GOSISDBHSA-N 1 0 379.529 3.631 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC000857069832 881982285 /nfs/dbraw/zinc/98/22/85/881982285.db2.gz VFZLVANYPRLDAA-NRJQMVOHSA-N 1 0 385.508 3.857 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000534330060 866573689 /nfs/dbraw/zinc/57/36/89/866573689.db2.gz NCPHIRFTZHTEPM-HXUWFJFHSA-N 1 0 380.536 3.725 20 30 GHEDRO [NH2+]=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000262545232 866623249 /nfs/dbraw/zinc/62/32/49/866623249.db2.gz RWIZGOMCVGYOGH-MRXNPFEDSA-N 1 0 392.272 3.559 20 30 GHEDRO COc1ccc(CCNN=C(C)c2ccc(OC)c(C[NH+]3CCCC3)c2)cc1 ZINC000737439928 866704470 /nfs/dbraw/zinc/70/44/70/866704470.db2.gz OZOFNPXNCCMVML-UHFFFAOYSA-N 1 0 381.520 3.856 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710471 866746780 /nfs/dbraw/zinc/74/67/80/866746780.db2.gz DFWHBGOKFWAMJY-LJQANCHMSA-N 1 0 382.552 3.840 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000553084959 866747472 /nfs/dbraw/zinc/74/74/72/866747472.db2.gz HMGYDOIVOSJARP-UHFFFAOYSA-N 1 0 382.504 3.589 20 30 GHEDRO Cc1nn(C)c(N2CCN(Cc3ccc(-c4cccs4)cc3)CC2)c1C#N ZINC000444694536 867075710 /nfs/dbraw/zinc/07/57/10/867075710.db2.gz KETIBFDOICSLGP-UHFFFAOYSA-N 1 0 377.517 3.651 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1Cl ZINC000534581465 867087832 /nfs/dbraw/zinc/08/78/32/867087832.db2.gz LKEJBBZCZBKQNA-QGZVFWFLSA-N 1 0 393.878 3.664 20 30 GHEDRO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000742150734 867104646 /nfs/dbraw/zinc/10/46/46/867104646.db2.gz XCJDXKNSJXGPCG-SFHVURJKSA-N 1 0 388.471 3.691 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1C#N ZINC000742372044 867266141 /nfs/dbraw/zinc/26/61/41/867266141.db2.gz OUNQWHAWJZZPLZ-QHCPKHFHSA-N 1 0 399.494 3.584 20 30 GHEDRO N#CCSc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000742484995 867335961 /nfs/dbraw/zinc/33/59/61/867335961.db2.gz HFHSZZMZOPXUMJ-IBGZPJMESA-N 1 0 379.529 3.944 20 30 GHEDRO C=CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccc(Br)cc1 ZINC000479225126 867347296 /nfs/dbraw/zinc/34/72/96/867347296.db2.gz KVLOYYKYKZZFBP-GFCCVEGCSA-N 1 0 381.343 3.936 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000479214920 867367667 /nfs/dbraw/zinc/36/76/67/867367667.db2.gz KWHAJVNUBPQNBS-INIZCTEOSA-N 1 0 383.442 3.743 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](CCO)C1CCCCC1)c1cccc(Cl)c1 ZINC000183707951 867462153 /nfs/dbraw/zinc/46/21/53/867462153.db2.gz HNQAJSIQUKRDSV-LJQANCHMSA-N 1 0 377.916 3.508 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000508511562 867480378 /nfs/dbraw/zinc/48/03/78/867480378.db2.gz VKCAIFKNPMIVHK-UHFFFAOYSA-N 1 0 377.492 3.825 20 30 GHEDRO N#CC1(NC(=O)CCSc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479306981 867514383 /nfs/dbraw/zinc/51/43/83/867514383.db2.gz DNOMTTYSMYOQQP-UHFFFAOYSA-N 1 0 379.529 3.843 20 30 GHEDRO CC[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000183760225 867698002 /nfs/dbraw/zinc/69/80/02/867698002.db2.gz PKMNNEACRADBHY-NRFANRHFSA-N 1 0 387.487 3.705 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1C ZINC000155035768 867718071 /nfs/dbraw/zinc/71/80/71/867718071.db2.gz MYZHKPJTNHIVET-GOSISDBHSA-N 1 0 395.551 3.787 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000743075880 867796671 /nfs/dbraw/zinc/79/66/71/867796671.db2.gz QADFXKWPSYOBLI-UHFFFAOYSA-N 1 0 396.466 3.542 20 30 GHEDRO Cc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000021406277 867826051 /nfs/dbraw/zinc/82/60/51/867826051.db2.gz QKLAPBKUEXHNLB-SFHVURJKSA-N 1 0 394.494 3.541 20 30 GHEDRO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000763635055 867899592 /nfs/dbraw/zinc/89/95/92/867899592.db2.gz FCLOCRXTYVSLQK-PGRDOPGGSA-N 1 0 383.536 3.749 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)cc1 ZINC000523749248 867919629 /nfs/dbraw/zinc/91/96/29/867919629.db2.gz SHQRTJQXWPGQJV-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000743193974 867938550 /nfs/dbraw/zinc/93/85/50/867938550.db2.gz CCNOSAGKDNCOJX-GOSISDBHSA-N 1 0 385.439 3.698 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)([NH+](C)C)C1 ZINC000609071490 868143166 /nfs/dbraw/zinc/14/31/66/868143166.db2.gz ANEVLTMKYWHBMH-HXOBKFHXSA-N 1 0 395.503 3.971 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)CC1 ZINC000155967459 868201269 /nfs/dbraw/zinc/20/12/69/868201269.db2.gz BCZVUISVWWIYPU-UHFFFAOYSA-N 1 0 392.425 3.661 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000743462544 868213475 /nfs/dbraw/zinc/21/34/75/868213475.db2.gz JFWMMQMVNCKODD-MSOLQXFVSA-N 1 0 395.503 3.998 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)CC1 ZINC000743490535 868235767 /nfs/dbraw/zinc/23/57/67/868235767.db2.gz RKBHVYUVWNTUDX-IBGZPJMESA-N 1 0 377.532 3.932 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000669805671 868293653 /nfs/dbraw/zinc/29/36/53/868293653.db2.gz HVFIJEXVIMOHOZ-IBGZPJMESA-N 1 0 388.519 3.744 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000553848732 868356795 /nfs/dbraw/zinc/35/67/95/868356795.db2.gz NCBFBALNXDUBTD-FQEVSTJZSA-N 1 0 383.492 3.789 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000091857867 882186593 /nfs/dbraw/zinc/18/65/93/882186593.db2.gz KETCYBWLBWACGI-HNNXBMFYSA-N 1 0 398.894 3.877 20 30 GHEDRO COCC[N@H+](CCOc1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000524042345 868428552 /nfs/dbraw/zinc/42/85/52/868428552.db2.gz COTAYOGPHQPTKO-UHFFFAOYSA-N 1 0 389.293 3.848 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)[NH+](C)C)cc1 ZINC000554015019 868625938 /nfs/dbraw/zinc/62/59/38/868625938.db2.gz GWNFLNPWWNMYBI-UTKZUKDTSA-N 1 0 395.503 3.532 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)cc1 ZINC000609075657 868727598 /nfs/dbraw/zinc/72/75/98/868727598.db2.gz PIHOUJVUJZZQGR-QFIPXVFZSA-N 1 0 392.499 3.678 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)C1CCCCC1 ZINC000102331541 882228442 /nfs/dbraw/zinc/22/84/42/882228442.db2.gz MTFBSORYMJZTAJ-NRFANRHFSA-N 1 0 395.503 3.971 20 30 GHEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744406349 868816331 /nfs/dbraw/zinc/81/63/31/868816331.db2.gz DAXJBEFVSNNOIU-HNNXBMFYSA-N 1 0 380.879 3.636 20 30 GHEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000744424397 868828484 /nfs/dbraw/zinc/82/84/84/868828484.db2.gz WFNRYSLGGJERJK-GVDBMIGSSA-N 1 0 380.517 3.830 20 30 GHEDRO Cc1cccc(-c2noc(CO[NH+]=C(N)c3ccc(N4CCCCC4)cc3)n2)c1 ZINC000744446114 868847560 /nfs/dbraw/zinc/84/75/60/868847560.db2.gz OZSKPQVJIKFGQD-UHFFFAOYSA-N 1 0 391.475 3.872 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000554167554 868873113 /nfs/dbraw/zinc/87/31/13/868873113.db2.gz IBKGGGORICCTPI-IFMALSPDSA-N 1 0 379.479 3.560 20 30 GHEDRO [NH2+]=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCOc2ccccc21 ZINC000262817210 882247422 /nfs/dbraw/zinc/24/74/22/882247422.db2.gz VXOVDXFJYFLCAB-OAHLLOKOSA-N 1 0 394.353 3.542 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)cc1 ZINC000535583581 869016357 /nfs/dbraw/zinc/01/63/57/869016357.db2.gz STKZDKQVZSNERD-UHFFFAOYSA-N 1 0 385.464 3.622 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508850380 869069799 /nfs/dbraw/zinc/06/97/99/869069799.db2.gz UUVPUOZVFIXUAF-UWJYYQICSA-N 1 0 385.508 3.551 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000744857161 869125709 /nfs/dbraw/zinc/12/57/09/869125709.db2.gz HVCVHLDNLPZSAQ-GCJKJVERSA-N 1 0 379.479 3.806 20 30 GHEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000539522744 869281515 /nfs/dbraw/zinc/28/15/15/869281515.db2.gz OXKCKCAKWMGLOL-GFCCVEGCSA-N 1 0 387.256 3.828 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)[C@@H](C)O1 ZINC000446074621 869373089 /nfs/dbraw/zinc/37/30/89/869373089.db2.gz SUQPBNGBAAOOMF-RBSFLKMASA-N 1 0 375.538 3.715 20 30 GHEDRO C#CCCCc1nnc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1CC(C)C ZINC000909634366 869528888 /nfs/dbraw/zinc/52/88/88/869528888.db2.gz NHTRBRHWZKGIEA-UHFFFAOYSA-N 1 0 399.505 3.743 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](c2ccccc2C)C1)C(C)C ZINC000524778705 869559856 /nfs/dbraw/zinc/55/98/56/869559856.db2.gz PVPBRPDPEFXQJM-FGZHOGPDSA-N 1 0 385.552 3.777 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000539728519 869679517 /nfs/dbraw/zinc/67/95/17/869679517.db2.gz ZYSYUYJXJNRVLF-QFBILLFUSA-N 1 0 387.549 3.910 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000524907583 869741838 /nfs/dbraw/zinc/74/18/38/869741838.db2.gz UWUTUJPWHKFFPP-UHFFFAOYSA-N 1 0 391.515 3.720 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446569911 870017653 /nfs/dbraw/zinc/01/76/53/870017653.db2.gz UGQALKDKVNJKHU-UHFFFAOYSA-N 1 0 382.464 3.919 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1 ZINC000446658116 870157029 /nfs/dbraw/zinc/15/70/29/870157029.db2.gz KGMVBCVRIAWPRN-UHFFFAOYSA-N 1 0 397.478 3.725 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000092644788 882408932 /nfs/dbraw/zinc/40/89/32/882408932.db2.gz YFXDKVLCNOEGBP-UHFFFAOYSA-N 1 0 382.552 3.697 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000462948336 870505229 /nfs/dbraw/zinc/50/52/29/870505229.db2.gz SPTZWBODUGLQAE-KPRXVCGWSA-N 1 0 377.463 3.925 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(OCC#N)c1 ZINC000766358920 870637977 /nfs/dbraw/zinc/63/79/77/870637977.db2.gz HOXOKHAHXRIPQS-ZWKOTPCHSA-N 1 0 378.476 3.716 20 30 GHEDRO CN(C(=O)NCc1cc(C#N)ccc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746422409 870649604 /nfs/dbraw/zinc/64/96/04/870649604.db2.gz WFJAOFKZYYIJAG-FQEVSTJZSA-N 1 0 380.467 3.503 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC001192929736 870795720 /nfs/dbraw/zinc/79/57/20/870795720.db2.gz QBCUMDIQYVBASY-MRXNPFEDSA-N 1 0 395.528 3.867 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000766492773 870817575 /nfs/dbraw/zinc/81/75/75/870817575.db2.gz WIAZVYOCNYJJKR-ZFWWWQNUSA-N 1 0 387.842 3.665 20 30 GHEDRO N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168816753 870835850 /nfs/dbraw/zinc/83/58/50/870835850.db2.gz SOZUHRKYCDLDRZ-NSHDSACASA-N 1 0 391.784 3.780 20 30 GHEDRO C[C@@H](NC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001193164761 870930946 /nfs/dbraw/zinc/93/09/46/870930946.db2.gz LBVVVFDMRNPNNR-QGZVFWFLSA-N 1 0 380.467 3.744 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000181378087 870945581 /nfs/dbraw/zinc/94/55/81/870945581.db2.gz COTYSRJEPYXWDU-CQSZACIVSA-N 1 0 396.878 3.628 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000615238260 870957119 /nfs/dbraw/zinc/95/71/19/870957119.db2.gz IGLMJVLTYVSOOT-UHFFFAOYSA-N 1 0 399.535 3.583 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000538953909 870963883 /nfs/dbraw/zinc/96/38/83/870963883.db2.gz MRCKDDMMEXSSQE-UHFFFAOYSA-N 1 0 392.341 3.565 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000766570384 871111777 /nfs/dbraw/zinc/11/17/77/871111777.db2.gz GDUMVTRZFDAJMB-RTBURBONSA-N 1 0 394.515 3.893 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)ccc1Cl ZINC000540398744 871181281 /nfs/dbraw/zinc/18/12/81/871181281.db2.gz RUFDYPNUPMFSRY-NRFANRHFSA-N 1 0 399.922 3.999 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H](CC)Cc1ccc3c(c1)OCO3)CCO2 ZINC001170439744 882486516 /nfs/dbraw/zinc/48/65/16/882486516.db2.gz APUWBMGFHZGULK-TXTKFYIRSA-N 1 0 387.520 3.810 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000540412213 871206750 /nfs/dbraw/zinc/20/67/50/871206750.db2.gz QWTMVBDHQQLXCN-NRFANRHFSA-N 1 0 386.492 3.992 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCSCc3ccccc3C#N)CC2)cc1 ZINC000181594220 871244062 /nfs/dbraw/zinc/24/40/62/871244062.db2.gz KLVPDYRKOGBUBT-UHFFFAOYSA-N 1 0 390.556 3.917 20 30 GHEDRO Cc1c([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)nnn1-c1cccc(Cl)c1 ZINC000539088114 871286427 /nfs/dbraw/zinc/28/64/27/871286427.db2.gz ZSCNOEIEFPQNMM-AWEZNQCLSA-N 1 0 381.867 3.830 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000540460489 871319313 /nfs/dbraw/zinc/31/93/13/871319313.db2.gz LRGXILGUFGWOKI-CYBMUJFWSA-N 1 0 382.407 3.702 20 30 GHEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000463285586 871332290 /nfs/dbraw/zinc/33/22/90/871332290.db2.gz GFTGFKCMWIMNOP-MJGOQNOKSA-N 1 0 394.485 3.889 20 30 GHEDRO Cc1nc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)cc1C#N ZINC000461960606 871350328 /nfs/dbraw/zinc/35/03/28/871350328.db2.gz VWUPLQUEFPPYAT-UHFFFAOYSA-N 1 0 389.975 3.548 20 30 GHEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000540526523 871494815 /nfs/dbraw/zinc/49/48/15/871494815.db2.gz QEKCXWVOSUBSJA-JSNMRZPZSA-N 1 0 388.920 3.972 20 30 GHEDRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001169484193 871534155 /nfs/dbraw/zinc/53/41/55/871534155.db2.gz JBIBMTQUQOJYHC-HNNXBMFYSA-N 1 0 377.916 3.702 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001169608679 871671603 /nfs/dbraw/zinc/67/16/03/871671603.db2.gz KNYQLVCYVYCJNY-UHFFFAOYSA-N 1 0 390.321 3.810 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000539332316 871714933 /nfs/dbraw/zinc/71/49/33/871714933.db2.gz RONQWKSJIGMJPH-OAQYLSRUSA-N 1 0 386.492 3.992 20 30 GHEDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000441278264 871766528 /nfs/dbraw/zinc/76/65/28/871766528.db2.gz PEFORAOZASPUJO-COXVUDFISA-N 1 0 375.538 3.763 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000463453921 871789123 /nfs/dbraw/zinc/78/91/23/871789123.db2.gz WKHHYDXMTIBIHD-OAQYLSRUSA-N 1 0 388.471 3.789 20 30 GHEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000794027337 882557261 /nfs/dbraw/zinc/55/72/61/882557261.db2.gz YDVVSGRZGGSVPX-FCHUYYIVSA-N 1 0 394.519 3.556 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(NCC34CC[NH+](CC3)CC4)nn2)c1 ZINC001169795140 871893246 /nfs/dbraw/zinc/89/32/46/871893246.db2.gz JAQLLNYXVURCNF-UHFFFAOYSA-N 1 0 387.409 3.932 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000618741238 871905689 /nfs/dbraw/zinc/90/56/89/871905689.db2.gz CICUAUHEZHIFCB-KRWDZBQOSA-N 1 0 385.261 3.869 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618798032 872006907 /nfs/dbraw/zinc/00/69/07/872006907.db2.gz NTACQFNFPHPZPD-QHCPKHFHSA-N 1 0 388.515 3.818 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618821502 872029722 /nfs/dbraw/zinc/02/97/22/872029722.db2.gz ZYYVTSBSNHCVIL-NLSFWIRASA-N 1 0 388.515 3.755 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000477868243 872045945 /nfs/dbraw/zinc/04/59/45/872045945.db2.gz WNOJKAIIITXRNL-KRWDZBQOSA-N 1 0 395.450 3.721 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2c1 ZINC000447677811 872082859 /nfs/dbraw/zinc/08/28/59/872082859.db2.gz WMXFVJICOJHDPL-OAQYLSRUSA-N 1 0 391.563 3.836 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000463589189 872101508 /nfs/dbraw/zinc/10/15/08/872101508.db2.gz GSHOGUSXVKXTAR-MJGOQNOKSA-N 1 0 380.488 3.825 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc([S@](C)=O)cc1 ZINC000526108348 872138761 /nfs/dbraw/zinc/13/87/61/872138761.db2.gz QZQDQSLTCJPNMH-NEUHUAOBSA-N 1 0 383.517 3.731 20 30 GHEDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000618966951 872191629 /nfs/dbraw/zinc/19/16/29/872191629.db2.gz IHAMAWMNTJYEKZ-OAQYLSRUSA-N 1 0 387.487 3.514 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000552271190 872331438 /nfs/dbraw/zinc/33/14/38/872331438.db2.gz WSFOSRUHDHJTRU-QHAWAJNXSA-N 1 0 383.536 3.612 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000619117688 872337656 /nfs/dbraw/zinc/33/76/56/872337656.db2.gz ZBBUPQVXOINOIO-HXUWFJFHSA-N 1 0 386.455 3.560 20 30 GHEDRO C#CCNC(=O)CC[NH2+]C1(c2ccc(C)cc2Br)CCCCC1 ZINC001195350161 872344027 /nfs/dbraw/zinc/34/40/27/872344027.db2.gz RTKZGRYNGYYEBB-UHFFFAOYSA-N 1 0 377.326 3.646 20 30 GHEDRO COc1cccc(CN(C(=O)c2cc(C)cc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001195447642 872394443 /nfs/dbraw/zinc/39/44/43/872394443.db2.gz FGOAVFCIFWTVGZ-MEMLXQNLSA-N 1 0 377.488 3.788 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc(N(C)C)cc1 ZINC000022804338 872399655 /nfs/dbraw/zinc/39/96/55/872399655.db2.gz YEYYAJSLUWBTHI-UHFFFAOYSA-O 1 0 382.962 3.693 20 30 GHEDRO COC(=O)c1cccc(CN(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001195423350 872411314 /nfs/dbraw/zinc/41/13/14/872411314.db2.gz DQWJEBNKBMSUFT-NRFANRHFSA-N 1 0 391.515 3.830 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000767359578 872452931 /nfs/dbraw/zinc/45/29/31/872452931.db2.gz IRYZBHXGLVDEPO-KRWDZBQOSA-N 1 0 389.503 3.726 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C)C2)cc(OC)c1OC ZINC000763540948 872493536 /nfs/dbraw/zinc/49/35/36/872493536.db2.gz XQRBSWFBOLTUOI-ATZDWAIDSA-N 1 0 375.509 3.890 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OCc3ccccc3F)CC2)CC1 ZINC000093792280 882619409 /nfs/dbraw/zinc/61/94/09/882619409.db2.gz MHKHMDMUHKLPKX-UHFFFAOYSA-N 1 0 389.515 3.557 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000463771325 872539244 /nfs/dbraw/zinc/53/92/44/872539244.db2.gz WLLQFHPRGMBFPA-LJQANCHMSA-N 1 0 394.515 3.997 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)cc1 ZINC001195728478 872579583 /nfs/dbraw/zinc/57/95/83/872579583.db2.gz GRBAPXYWYOSOGD-HBMCJLEFSA-N 1 0 389.543 3.980 20 30 GHEDRO Cc1cc2ncc([C@@H](C)[NH2+]C3CCC(Oc4ncccc4C#N)CC3)c(C)n2n1 ZINC000527100234 872655523 /nfs/dbraw/zinc/65/55/23/872655523.db2.gz WODGQWXPPYHBIQ-VNCLNFNDSA-N 1 0 390.491 3.654 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000619508282 872694552 /nfs/dbraw/zinc/69/45/52/872694552.db2.gz NIUACNFASMLMLB-QHCPKHFHSA-N 1 0 389.499 3.588 20 30 GHEDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)[NH+]2CCCCC2)cc1 ZINC000070790504 872887470 /nfs/dbraw/zinc/88/74/70/872887470.db2.gz HDHCFDAERYRFFH-LJQANCHMSA-N 1 0 381.436 3.509 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619741583 872943863 /nfs/dbraw/zinc/94/38/63/872943863.db2.gz SJYIJULAZKVXPO-JOCHJYFZSA-N 1 0 398.514 3.713 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000619754727 872963842 /nfs/dbraw/zinc/96/38/42/872963842.db2.gz IZQMPIPPOGLSBT-CYBMUJFWSA-N 1 0 387.867 3.736 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619759945 872974062 /nfs/dbraw/zinc/97/40/62/872974062.db2.gz WKCAPMBAELUAEW-OAHLLOKOSA-N 1 0 397.910 3.631 20 30 GHEDRO COC(=O)c1cccc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000527299004 872975997 /nfs/dbraw/zinc/97/59/97/872975997.db2.gz JXWKYTKGCBDJPK-ROUUACIJSA-N 1 0 391.515 3.591 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1 ZINC001196330359 873036728 /nfs/dbraw/zinc/03/67/28/873036728.db2.gz QJHDNMSEYQMNEG-KRWDZBQOSA-N 1 0 377.488 3.781 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000619849317 873116400 /nfs/dbraw/zinc/11/64/00/873116400.db2.gz JOJKCSKTAGAWOF-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000768230239 873180786 /nfs/dbraw/zinc/18/07/86/873180786.db2.gz RQFIDRSEJIWGPJ-UHFFFAOYSA-N 1 0 382.570 3.549 20 30 GHEDRO N#Cc1cccnc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001196553766 873207981 /nfs/dbraw/zinc/20/79/81/873207981.db2.gz VPOVMLVFGRPTQC-UHFFFAOYSA-N 1 0 397.482 3.528 20 30 GHEDRO CC[C@@H](C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000448396884 873327992 /nfs/dbraw/zinc/32/79/92/873327992.db2.gz TYMROPFRZLJCFZ-PCCBWWKXSA-N 1 0 381.907 3.974 20 30 GHEDRO N#Cc1nc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1C(F)(F)F ZINC000443515969 873388939 /nfs/dbraw/zinc/38/89/39/873388939.db2.gz MFKZKYUISOWFAQ-UHFFFAOYSA-N 1 0 378.373 3.610 20 30 GHEDRO C#C[C@H](NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)c1ccccc1 ZINC001196812499 873408524 /nfs/dbraw/zinc/40/85/24/873408524.db2.gz GMSWWIVTSIYVJM-IBGZPJMESA-N 1 0 396.922 3.978 20 30 GHEDRO C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000448520377 873542401 /nfs/dbraw/zinc/54/24/01/873542401.db2.gz JLTXVVGZFUXKLN-IYBDPMFKSA-N 1 0 380.442 3.803 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3Cc4c3cccc4Cl)CC2)cc1 ZINC000527742734 873545827 /nfs/dbraw/zinc/54/58/27/873545827.db2.gz ADHXWKKAWHVSQP-HXUWFJFHSA-N 1 0 379.891 3.586 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)CCOCC2)cc1 ZINC000527811843 873599990 /nfs/dbraw/zinc/59/99/90/873599990.db2.gz NVJQMRXZLTZLAS-QHCPKHFHSA-N 1 0 392.499 3.912 20 30 GHEDRO CC[C@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC001197116595 873610168 /nfs/dbraw/zinc/61/01/68/873610168.db2.gz SUJLHGMTQPQALW-QGZVFWFLSA-N 1 0 397.544 3.710 20 30 GHEDRO COc1ccc(CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1C#N ZINC000768951857 873732160 /nfs/dbraw/zinc/73/21/60/873732160.db2.gz PKUXSVUMUJNXMR-OAQYLSRUSA-N 1 0 394.519 3.523 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000464397574 873780293 /nfs/dbraw/zinc/78/02/93/873780293.db2.gz JAWBPNIOOQFSHM-LJQANCHMSA-N 1 0 394.515 3.997 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448713418 873841497 /nfs/dbraw/zinc/84/14/97/873841497.db2.gz LMAVQGKRMORCIT-UHFFFAOYSA-N 1 0 378.314 3.563 20 30 GHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000769162326 873857937 /nfs/dbraw/zinc/85/79/37/873857937.db2.gz VZOVUPUOKXRSLN-SFHVURJKSA-N 1 0 390.350 3.936 20 30 GHEDRO C[N@H+](Cc1cccc(F)c1)C1CCN(C(=S)Nc2cccc(C#N)c2)CC1 ZINC001197704627 873992307 /nfs/dbraw/zinc/99/23/07/873992307.db2.gz HYIGYFLDWWONBS-UHFFFAOYSA-N 1 0 382.508 3.991 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2scc(Br)c2c1 ZINC000448797870 874002225 /nfs/dbraw/zinc/00/22/25/874002225.db2.gz GSNVMSGQNIFVDC-UHFFFAOYSA-N 1 0 394.338 3.971 20 30 GHEDRO C#CC[N@@H+](CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(C)C ZINC001198026754 874186948 /nfs/dbraw/zinc/18/69/48/874186948.db2.gz JAWDBQHMVDXOTI-JOCHJYFZSA-N 1 0 384.545 3.748 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CCCC#N)CC1 ZINC000464637797 874211609 /nfs/dbraw/zinc/21/16/09/874211609.db2.gz JQQAPXMUWMDUCT-UHFFFAOYSA-N 1 0 378.314 3.566 20 30 GHEDRO C=CCC1(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CCCCC1 ZINC000448935475 874259054 /nfs/dbraw/zinc/25/90/54/874259054.db2.gz IMWPNTIESGCUIB-OAQYLSRUSA-N 1 0 397.563 3.527 20 30 GHEDRO Cc1cccc(OCCCNC(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001198210725 874275248 /nfs/dbraw/zinc/27/52/48/874275248.db2.gz KXGYPSIEMSMWCM-UHFFFAOYSA-N 1 0 391.515 3.631 20 30 GHEDRO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001198328947 874356299 /nfs/dbraw/zinc/35/62/99/874356299.db2.gz XJAGXPBXRYNSQI-IEBWSBKVSA-N 1 0 387.524 3.810 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2CCOC23CCCC3)c1C#N ZINC001198506679 874470123 /nfs/dbraw/zinc/47/01/23/874470123.db2.gz DDJDRWXWARXLMO-FQEVSTJZSA-N 1 0 392.503 3.596 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)cc1 ZINC000464777920 874472840 /nfs/dbraw/zinc/47/28/40/874472840.db2.gz SFFKDSXZDTZHJU-AZUAARDMSA-N 1 0 389.565 3.938 20 30 GHEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449136758 874520841 /nfs/dbraw/zinc/52/08/41/874520841.db2.gz CETVXHPQDHKGKL-UHFFFAOYSA-N 1 0 392.341 3.860 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528414922 874539895 /nfs/dbraw/zinc/53/98/95/874539895.db2.gz ABLIDJZAXTVXAW-FQEVSTJZSA-N 1 0 387.483 3.877 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc1C ZINC001198624336 874555202 /nfs/dbraw/zinc/55/52/02/874555202.db2.gz YHILHIJLURLEMI-XZOQPEGZSA-N 1 0 396.579 3.745 20 30 GHEDRO C[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000464837217 874573567 /nfs/dbraw/zinc/57/35/67/874573567.db2.gz UCHRFOBKALRQNG-SFHVURJKSA-N 1 0 387.487 3.705 20 30 GHEDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000509460632 874617037 /nfs/dbraw/zinc/61/70/37/874617037.db2.gz AOLXZOMMQPKGKO-QZTJIDSGSA-N 1 0 379.504 3.670 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000770380773 874622041 /nfs/dbraw/zinc/62/20/41/874622041.db2.gz OLLUVCBWXFUYJU-PKOBYXMFSA-N 1 0 386.540 3.914 20 30 GHEDRO C[C@@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000464901949 874716241 /nfs/dbraw/zinc/71/62/41/874716241.db2.gz QHIRFRCQTNGAMU-LJQANCHMSA-N 1 0 393.556 3.914 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000464890697 874725167 /nfs/dbraw/zinc/72/51/67/874725167.db2.gz INLBMXRBIOVDSL-SFHVURJKSA-N 1 0 397.548 3.705 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000804455245 882867777 /nfs/dbraw/zinc/86/77/77/882867777.db2.gz YHJZLMIMBPCQPG-HSZRJFAPSA-N 1 0 389.543 3.581 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](CO)[C@@H]2CC)cc1OC ZINC000449430328 874850951 /nfs/dbraw/zinc/85/09/51/874850951.db2.gz VYJYAPNBEZSIAJ-ZBFHGGJFSA-N 1 0 384.314 3.615 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[NH+]1CCC(C)CC1 ZINC001199244528 874869992 /nfs/dbraw/zinc/86/99/92/874869992.db2.gz CKEKHWHOZKPKHX-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000770804471 874876890 /nfs/dbraw/zinc/87/68/90/874876890.db2.gz PKVRNZAXOINIPO-CYBMUJFWSA-N 1 0 384.398 3.554 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccccc1Br)CCC2 ZINC001203319989 874918752 /nfs/dbraw/zinc/91/87/52/874918752.db2.gz FKRZVFQTYPDGJX-UHFFFAOYSA-N 1 0 376.298 3.754 20 30 GHEDRO C[C@@H](CCOc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000465029940 874974756 /nfs/dbraw/zinc/97/47/56/874974756.db2.gz LCXJBJPOKBTNGV-IBGZPJMESA-N 1 0 379.504 3.554 20 30 GHEDRO Cc1sc2[nH]c(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)nc(=O)c2c1C ZINC000528778072 875050819 /nfs/dbraw/zinc/05/08/19/875050819.db2.gz FHGPRYVREPVZDK-UHFFFAOYSA-N 1 0 394.500 3.681 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000542212222 875161511 /nfs/dbraw/zinc/16/15/11/875161511.db2.gz ITAMVBRCXOOGLR-LJQANCHMSA-N 1 0 380.467 3.925 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2coc3c2cc(Br)cc3C)CC1 ZINC000771381370 875198891 /nfs/dbraw/zinc/19/88/91/875198891.db2.gz VGJTWISCMRCCBY-UHFFFAOYSA-N 1 0 389.293 3.721 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)ccc1OC ZINC000449666496 875212627 /nfs/dbraw/zinc/21/26/27/875212627.db2.gz HGVISRVHIRCLQL-LJQANCHMSA-N 1 0 378.476 3.690 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000771461540 875258336 /nfs/dbraw/zinc/25/83/36/875258336.db2.gz GHNWTENRMXPJPO-FQEVSTJZSA-N 1 0 397.482 3.573 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)[NH+](C)C)c1 ZINC000858176548 882911055 /nfs/dbraw/zinc/91/10/55/882911055.db2.gz BCVDRRIGCCKGJA-JOCHJYFZSA-N 1 0 391.515 3.798 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c(F)c1 ZINC000449686182 875261718 /nfs/dbraw/zinc/26/17/18/875261718.db2.gz VLXJYQJTGVQUPR-AWEZNQCLSA-N 1 0 395.247 3.540 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3ncc(Br)s3)cc2)CC1 ZINC000771528946 875314645 /nfs/dbraw/zinc/31/46/45/875314645.db2.gz PYASCOBFCRIMQU-DAXSKMNVSA-N 1 0 392.322 3.554 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000776087053 875320680 /nfs/dbraw/zinc/32/06/80/875320680.db2.gz BYZSKNYSEYIFBN-QUCCMNQESA-N 1 0 377.488 3.731 20 30 GHEDRO COc1cc(CNCc2ccc(C#N)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449735853 875320867 /nfs/dbraw/zinc/32/08/67/875320867.db2.gz JOHJCXZQWCCEDF-UHFFFAOYSA-N 1 0 395.337 3.548 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000776089408 875324561 /nfs/dbraw/zinc/32/45/61/875324561.db2.gz YUOKRLFPXZISLI-FQEVSTJZSA-N 1 0 377.488 3.732 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528962708 875349859 /nfs/dbraw/zinc/34/98/59/875349859.db2.gz ICTYLXNPLBVUHO-HNNXBMFYSA-N 1 0 378.423 3.688 20 30 GHEDRO O=C(C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCCC1 ZINC000178681402 882930966 /nfs/dbraw/zinc/93/09/66/882930966.db2.gz GOFVZVMLDMIXMP-UHFFFAOYSA-N 1 0 394.437 3.661 20 30 GHEDRO CCCC[N@H+](C)CCCNC(=S)Nc1ccc(C#N)cc1Br ZINC001201131945 875518748 /nfs/dbraw/zinc/51/87/48/875518748.db2.gz TXOJLLRCHWKKCL-UHFFFAOYSA-N 1 0 383.359 3.729 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000776147710 875581593 /nfs/dbraw/zinc/58/15/93/875581593.db2.gz ALTFZWMEPOLMEB-VXKWHMMOSA-N 1 0 378.520 3.909 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC001201314669 875626101 /nfs/dbraw/zinc/62/61/01/875626101.db2.gz ORRUYICQBMEXCZ-UHFFFAOYSA-N 1 0 375.488 3.669 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000772112524 875702862 /nfs/dbraw/zinc/70/28/62/875702862.db2.gz DYWWZBKPFNGQBA-UHFFFAOYSA-N 1 0 386.495 3.775 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000772114231 875705157 /nfs/dbraw/zinc/70/51/57/875705157.db2.gz XKYXEOOMQLEYFA-QHCPKHFHSA-N 1 0 398.547 3.512 20 30 GHEDRO N#Cc1cnn(-c2ccccn2)c1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201474911 875728378 /nfs/dbraw/zinc/72/83/78/875728378.db2.gz ORIJQQMDGRNMQB-RTWAWAEBSA-N 1 0 382.471 3.872 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000549901734 875824602 /nfs/dbraw/zinc/82/46/02/875824602.db2.gz HUYVIKKJKAUOFM-HNNXBMFYSA-N 1 0 377.423 3.562 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271886397 875868847 /nfs/dbraw/zinc/86/88/47/875868847.db2.gz QTNUYPWUHVAMME-UHFFFAOYSA-N 1 0 398.551 3.512 20 30 GHEDRO CCCCCCCCCC[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001201852733 875888431 /nfs/dbraw/zinc/88/84/31/875888431.db2.gz IKLJPWDTYVVKEI-VAMGGRTRSA-N 1 0 388.556 3.750 20 30 GHEDRO CCCCCCCCCN1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001201847216 875902087 /nfs/dbraw/zinc/90/20/87/875902087.db2.gz SWXDFTMCXNOGAA-FQEVSTJZSA-N 1 0 375.605 3.758 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000491723674 875922893 /nfs/dbraw/zinc/92/28/93/875922893.db2.gz WSCGUBGGDOTXLB-UHFFFAOYSA-N 1 0 392.543 3.762 20 30 GHEDRO COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000772375855 875926019 /nfs/dbraw/zinc/92/60/19/875926019.db2.gz SJEFLYAZYSYDAT-OALUTQOASA-N 1 0 399.535 3.541 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(C#N)cc1 ZINC000609152252 875926158 /nfs/dbraw/zinc/92/61/58/875926158.db2.gz QVJAAHDWQQGWNU-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO C[N@H+](CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000491785349 875956509 /nfs/dbraw/zinc/95/65/09/875956509.db2.gz JGQWNPQEWSLZAU-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)CC1 ZINC000772468505 875978181 /nfs/dbraw/zinc/97/81/81/875978181.db2.gz HEYFYOPVHAOXBW-UHFFFAOYSA-N 1 0 385.508 3.560 20 30 GHEDRO C=CC(C)(C)C(=O)Nc1ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c1 ZINC000450232854 876128516 /nfs/dbraw/zinc/12/85/16/876128516.db2.gz XXOHJCAKBXXXHP-UHFFFAOYSA-N 1 0 379.932 3.952 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2CNc2cccc(C#N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000450251609 876143445 /nfs/dbraw/zinc/14/34/45/876143445.db2.gz CAMWESGBDZHUFY-HOTGVXAUSA-N 1 0 380.448 3.688 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cc(C)ccc2F)cc1 ZINC000151931166 876171734 /nfs/dbraw/zinc/17/17/34/876171734.db2.gz JJQSHCQCCBIXFP-UHFFFAOYSA-O 1 0 383.472 3.514 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000785708526 876215163 /nfs/dbraw/zinc/21/51/63/876215163.db2.gz JBPIQIJAXWLRCW-UHFFFAOYSA-N 1 0 397.862 3.603 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1nc(Cl)c(C#N)s1 ZINC000804547875 883009529 /nfs/dbraw/zinc/00/95/29/883009529.db2.gz CHLTUPQGCROMQS-UHFFFAOYSA-N 1 0 399.745 3.999 20 30 GHEDRO N#Cc1cnc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000450333372 876272411 /nfs/dbraw/zinc/27/24/11/876272411.db2.gz QDCLCDHNSZPZOW-OAHLLOKOSA-N 1 0 391.353 3.567 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NCC(C)(C)CCC#N)c2)CC1 ZINC000858314304 883017635 /nfs/dbraw/zinc/01/76/35/883017635.db2.gz PPLKXTHCJNUXOR-UHFFFAOYSA-N 1 0 387.528 3.881 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](CC)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000786212715 876533315 /nfs/dbraw/zinc/53/33/15/876533315.db2.gz QNAPLQDNQIYPCC-QGZVFWFLSA-N 1 0 380.454 3.878 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)o2)cc1 ZINC000529718055 876557669 /nfs/dbraw/zinc/55/76/69/876557669.db2.gz IHCTXYXLTGBQNR-IBGZPJMESA-N 1 0 393.487 3.867 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1oc(CC)nc1C ZINC000450745451 876845259 /nfs/dbraw/zinc/84/52/59/876845259.db2.gz PCBXMCQYGWETFY-UHFFFAOYSA-N 1 0 375.542 3.644 20 30 GHEDRO C=CCOc1ccccc1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000193058412 883083527 /nfs/dbraw/zinc/08/35/27/883083527.db2.gz GUAWZKQRLRXAKJ-UHFFFAOYSA-N 1 0 379.504 3.954 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786865983 876990828 /nfs/dbraw/zinc/99/08/28/876990828.db2.gz WEQXRAVKEAJDBE-OAHLLOKOSA-N 1 0 387.405 3.937 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)cc1F ZINC000850541903 877010241 /nfs/dbraw/zinc/01/02/41/877010241.db2.gz DNBCZBYSEKWOIP-GOEBONIOSA-N 1 0 389.471 3.516 20 30 GHEDRO CC(=O)Nc1ccc(C(C)=NOC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000786892818 877012561 /nfs/dbraw/zinc/01/25/61/877012561.db2.gz BLHVRRLFCRWFSV-QHCPKHFHSA-N 1 0 395.503 3.677 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000786981426 877085932 /nfs/dbraw/zinc/08/59/32/877085932.db2.gz YGZGGNSPLDOZHD-KSFYIVLOSA-N 1 0 398.453 3.819 20 30 GHEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@H]1CCOc2ccccc21 ZINC000262694126 877249366 /nfs/dbraw/zinc/24/93/66/877249366.db2.gz DCIHLUAGEANMCZ-BHYGNILZSA-N 1 0 386.293 3.733 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000610002388 877276189 /nfs/dbraw/zinc/27/61/89/877276189.db2.gz FUMDRTYCSAVVQV-QHCPKHFHSA-N 1 0 375.516 3.912 20 30 GHEDRO Cc1ccc([C@@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000610026710 877316300 /nfs/dbraw/zinc/31/63/00/877316300.db2.gz GPYVXDRXRJZKQJ-FQEVSTJZSA-N 1 0 390.531 3.888 20 30 GHEDRO CC[N@H+](CCCC(=O)N(CC#N)Cc1ccccc1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051418 912223190 /nfs/dbraw/zinc/22/31/90/912223190.db2.gz RPCCDOYBPQJVGX-HXUWFJFHSA-N 1 0 393.531 3.978 20 30 GHEDRO COc1cc(C#N)ccc1OCCOc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000610131981 877445604 /nfs/dbraw/zinc/44/56/04/877445604.db2.gz QEQDHAYONSQXAI-UHFFFAOYSA-N 1 0 396.487 3.889 20 30 GHEDRO CC(C)[C@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCS1 ZINC000245452823 877903347 /nfs/dbraw/zinc/90/33/47/877903347.db2.gz QQZIRCJEHBIQSF-CRAIPNDOSA-N 1 0 377.579 3.950 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(C#N)c1C ZINC000179731474 877908514 /nfs/dbraw/zinc/90/85/14/877908514.db2.gz VUVOFUIRWLQTQW-RBZFPXEDSA-N 1 0 395.459 3.607 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(C#N)c1C ZINC000179731454 877909894 /nfs/dbraw/zinc/90/98/94/877909894.db2.gz VUVOFUIRWLQTQW-RNODOKPDSA-N 1 0 395.459 3.607 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)CC2 ZINC000530518719 877971290 /nfs/dbraw/zinc/97/12/90/877971290.db2.gz QPFWZOUZFBTVMK-QLOJAFMTSA-N 1 0 393.487 3.938 20 30 GHEDRO C#CCC(CC#C)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000788281338 877992863 /nfs/dbraw/zinc/99/28/63/877992863.db2.gz NGJRPFYKDAUZBB-UHFFFAOYSA-N 1 0 399.538 3.606 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000851954446 877997823 /nfs/dbraw/zinc/99/78/23/877997823.db2.gz UAVBMSBQIZVKQK-UHFFFAOYSA-N 1 0 390.405 3.983 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451490014 878037209 /nfs/dbraw/zinc/03/72/09/878037209.db2.gz LDVATZCVFHXUCK-ITKAJJHTSA-N 1 0 385.533 3.567 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000667029045 878087911 /nfs/dbraw/zinc/08/79/11/878087911.db2.gz NYSHWDXVZKBJLC-NRFANRHFSA-N 1 0 379.504 3.694 20 30 GHEDRO CCO[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1C ZINC000451539801 878099583 /nfs/dbraw/zinc/09/95/83/878099583.db2.gz KJSUUVMCNNRLDJ-SOLBZPMBSA-N 1 0 375.538 3.766 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)c1ccc(F)c(F)c1 ZINC000477751292 878135415 /nfs/dbraw/zinc/13/54/15/878135415.db2.gz PRDKVABTMJNRJA-PXNSSMCTSA-N 1 0 395.494 3.724 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000068217987 878139128 /nfs/dbraw/zinc/13/91/28/878139128.db2.gz GJYQCUIBDFZWSA-IBGZPJMESA-N 1 0 395.478 3.592 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000179915378 878212213 /nfs/dbraw/zinc/21/22/13/878212213.db2.gz WFHGNJGFMQNJIF-UHFFFAOYSA-N 1 0 387.524 3.733 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CC)Cc2ccccc2Br)CC1 ZINC000176574905 878313579 /nfs/dbraw/zinc/31/35/79/878313579.db2.gz HXFYGPQQGZZPGH-HNNXBMFYSA-N 1 0 379.342 3.784 20 30 GHEDRO CC[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000031124865 878316783 /nfs/dbraw/zinc/31/67/83/878316783.db2.gz MFNXVHNZXWNHLM-VGSWGCGISA-N 1 0 376.504 3.755 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1)CC1CC1 ZINC000537813378 878331326 /nfs/dbraw/zinc/33/13/26/878331326.db2.gz LTDIZLCFYGPBIP-SFHVURJKSA-N 1 0 383.536 3.686 20 30 GHEDRO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)C1)C(F)(F)F ZINC000852478663 878365827 /nfs/dbraw/zinc/36/58/27/878365827.db2.gz WPENJMLYNDSNNW-MOPGFXCFSA-N 1 0 378.438 3.694 20 30 GHEDRO C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000451713513 878383538 /nfs/dbraw/zinc/38/35/38/878383538.db2.gz UIAQNYYZDZICGG-SFHVURJKSA-N 1 0 387.487 3.562 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000466982904 878436959 /nfs/dbraw/zinc/43/69/59/878436959.db2.gz BRQORDCNCRRLRW-UHFFFAOYSA-N 1 0 387.487 3.516 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001183197412 912346772 /nfs/dbraw/zinc/34/67/72/912346772.db2.gz UMEIWUSXWBZAPM-IBGZPJMESA-N 1 0 384.524 3.516 20 30 GHEDRO CO[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000451834825 878547490 /nfs/dbraw/zinc/54/74/90/878547490.db2.gz ANQRZSQCRUDBEX-AYOQOUSVSA-N 1 0 387.549 3.766 20 30 GHEDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000537951607 878574095 /nfs/dbraw/zinc/57/40/95/878574095.db2.gz UYNHZWMMGPXEQO-CPFSXVBKSA-N 1 0 379.272 3.853 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000460798008 878581898 /nfs/dbraw/zinc/58/18/98/878581898.db2.gz VFTKSVPPPDVUGY-GOSISDBHSA-N 1 0 399.539 3.535 20 30 GHEDRO CC[C@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000451842011 878591087 /nfs/dbraw/zinc/59/10/87/878591087.db2.gz MMDQZGGKPNAIJH-HOTGVXAUSA-N 1 0 388.581 3.632 20 30 GHEDRO CCn1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cn1 ZINC000451893093 878631921 /nfs/dbraw/zinc/63/19/21/878631921.db2.gz OKNVUSDRMSTDQD-MRXNPFEDSA-N 1 0 396.539 3.988 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)C#CC1CC[NH2+]CC1)[C@H](C1CCCCC1)C2 ZINC000852852788 878635558 /nfs/dbraw/zinc/63/55/58/878635558.db2.gz JAAXLEGMDIORGB-QHCPKHFHSA-N 1 0 380.532 3.532 20 30 GHEDRO CC(C)(O)C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000180222692 878658693 /nfs/dbraw/zinc/65/86/93/878658693.db2.gz NPSIUSYYQGDUDT-UHFFFAOYSA-N 1 0 399.922 3.860 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000152482321 878784852 /nfs/dbraw/zinc/78/48/52/878784852.db2.gz MCEGPZOPTYYTMN-WOJBJXKFSA-N 1 0 386.540 3.962 20 30 GHEDRO N#CC1(CCC[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CCOCC1 ZINC000452020695 878817605 /nfs/dbraw/zinc/81/76/05/878817605.db2.gz HGBPTFQGCPRZDE-RBUKOAKNSA-N 1 0 395.469 3.707 20 30 GHEDRO C#C[C@@H]([NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C)C1CCOCC1 ZINC000853115016 878822218 /nfs/dbraw/zinc/82/22/18/878822218.db2.gz CEDCRSVBXMPJFF-YLJYHZDGSA-N 1 0 379.928 3.530 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@@H+](CC)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000460945005 878869091 /nfs/dbraw/zinc/86/90/91/878869091.db2.gz TZBZDNPNZIRYSS-UHFFFAOYSA-N 1 0 391.466 3.515 20 30 GHEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000616476172 878869419 /nfs/dbraw/zinc/86/94/19/878869419.db2.gz GOWRHNUCHSRXRY-HXUWFJFHSA-N 1 0 389.565 3.674 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000538128060 878901485 /nfs/dbraw/zinc/90/14/85/878901485.db2.gz DGWKMQOWNCLCGR-HNNXBMFYSA-N 1 0 390.405 3.533 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC000597394215 878962044 /nfs/dbraw/zinc/96/20/44/878962044.db2.gz NELLOQGWIXMJKZ-HTAPYJJXSA-N 1 0 395.453 3.963 20 30 GHEDRO Cc1cc(C)c(NC(=O)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000285721917 912406608 /nfs/dbraw/zinc/40/66/08/912406608.db2.gz QFULHLIYRXSRHI-UHFFFAOYSA-N 1 0 376.504 3.681 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000538199949 879022087 /nfs/dbraw/zinc/02/20/87/879022087.db2.gz NALWTENAESDLGZ-IBGZPJMESA-N 1 0 379.504 3.987 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2cc(Br)cn2C)cc1 ZINC000180615050 879085075 /nfs/dbraw/zinc/08/50/75/879085075.db2.gz GXXACRXPIZLXEM-UHFFFAOYSA-N 1 0 375.314 3.769 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000853594991 879153936 /nfs/dbraw/zinc/15/39/36/879153936.db2.gz YWBRYCJJMNIMIV-UHFFFAOYSA-N 1 0 399.498 3.943 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000531203829 879320212 /nfs/dbraw/zinc/32/02/12/879320212.db2.gz RBMLTQXNWZHISX-SFHVURJKSA-N 1 0 392.341 3.946 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(O)c(OC)c1 ZINC000111907457 879516155 /nfs/dbraw/zinc/51/61/55/879516155.db2.gz RWYIQRXQJJFRHF-UHFFFAOYSA-N 1 0 378.476 3.552 20 30 GHEDRO COc1cc(-c2nc(-c3ccc(OC4CC[NH2+]CC4)c(F)c3)no2)ccc1C#N ZINC000854166495 879596760 /nfs/dbraw/zinc/59/67/60/879596760.db2.gz YJRQQHPDDDDUCV-UHFFFAOYSA-N 1 0 394.406 3.554 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000111996294 879607743 /nfs/dbraw/zinc/60/77/43/879607743.db2.gz OHAVELKGKFQISB-UHFFFAOYSA-N 1 0 382.504 3.598 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)c1ccccc1 ZINC000493919997 879727214 /nfs/dbraw/zinc/72/72/14/879727214.db2.gz LRJAOEKFYYDIAU-JOCHJYFZSA-N 1 0 387.487 3.648 20 30 GHEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531384068 879750375 /nfs/dbraw/zinc/75/03/75/879750375.db2.gz KZZRVLYUYWRRCN-VQIMIIECSA-N 1 0 380.467 3.673 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)cc1 ZINC000494036977 879844798 /nfs/dbraw/zinc/84/47/98/879844798.db2.gz HWCUMFDRMUXUDR-UHFFFAOYSA-N 1 0 390.487 3.945 20 30 GHEDRO Cc1ccccc1C[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000461459734 879874744 /nfs/dbraw/zinc/87/47/44/879874744.db2.gz GOGWIWKNUIQLEO-UHFFFAOYSA-N 1 0 387.443 3.645 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000112655844 880064707 /nfs/dbraw/zinc/06/47/07/880064707.db2.gz OHEAOCKEEKIYOO-NRFANRHFSA-N 1 0 383.467 3.718 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000112695141 880088340 /nfs/dbraw/zinc/08/83/40/880088340.db2.gz RUNOFNNXJFZNKM-KRWDZBQOSA-N 1 0 388.552 3.894 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000531588261 880129827 /nfs/dbraw/zinc/12/98/27/880129827.db2.gz VBDGQUSSNXVROA-OAHLLOKOSA-N 1 0 380.414 3.744 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000173272133 880249457 /nfs/dbraw/zinc/24/94/57/880249457.db2.gz MARPLVIMLMZHDG-OCEACIFDSA-N 1 0 391.475 3.807 20 30 GHEDRO C[C@H](Oc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cn1)c1ccccc1 ZINC000531814507 880513295 /nfs/dbraw/zinc/51/32/95/880513295.db2.gz ZWRFCFSPJHCBSG-SFHVURJKSA-N 1 0 380.492 3.529 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)ccc1OC ZINC000113348034 880519701 /nfs/dbraw/zinc/51/97/01/880519701.db2.gz BQZKSXNJNIUWJD-HXUWFJFHSA-N 1 0 394.450 3.991 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000453326094 880798117 /nfs/dbraw/zinc/79/81/17/880798117.db2.gz NBXYZLFHGXMMAM-QGZVFWFLSA-N 1 0 376.504 3.832 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)OCCO2 ZINC000531970088 880846980 /nfs/dbraw/zinc/84/69/80/880846980.db2.gz JLWHBXSYAMMELZ-CRAIPNDOSA-N 1 0 381.451 3.788 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000453415740 880880626 /nfs/dbraw/zinc/88/06/26/880880626.db2.gz SVCVJWNPPFBIJG-AZUAARDMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453440446 880902243 /nfs/dbraw/zinc/90/22/43/880902243.db2.gz MZBIVCVVRLWQAG-AUSIDOKSSA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nnc1[C@]1(C)CCCO1 ZINC000453444812 880909797 /nfs/dbraw/zinc/90/97/97/880909797.db2.gz TVCQYOVXDURYLQ-JQVVWYNYSA-N 1 0 387.572 3.581 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000453460995 880962514 /nfs/dbraw/zinc/96/25/14/880962514.db2.gz FKZLINZGQAKTQD-SOAGJPPSSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000453465604 880970389 /nfs/dbraw/zinc/97/03/89/880970389.db2.gz MQXAGIFZGIAWGJ-FPOVZHCZSA-N 1 0 395.551 3.725 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000453467551 880974986 /nfs/dbraw/zinc/97/49/86/880974986.db2.gz REVWPLPRDOREQV-PMACEKPBSA-N 1 0 387.572 3.654 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000453469060 880979594 /nfs/dbraw/zinc/97/95/94/880979594.db2.gz WDDGKNSNRDWEEZ-SFHVURJKSA-N 1 0 383.540 3.543 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000113964967 881016472 /nfs/dbraw/zinc/01/64/72/881016472.db2.gz ILFYEQXEYHXDPA-AZUAARDMSA-N 1 0 396.491 3.597 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(C)c(Br)c1 ZINC001275212802 912645662 /nfs/dbraw/zinc/64/56/62/912645662.db2.gz LSDUWBYQWXIAIS-IAGOWNOFSA-N 1 0 381.289 3.648 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609386111 883131152 /nfs/dbraw/zinc/13/11/52/883131152.db2.gz KYTAYJLRQGLGQO-INIZCTEOSA-N 1 0 388.581 3.680 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Br)cnc2OC)cc1 ZINC000858495255 883149307 /nfs/dbraw/zinc/14/93/07/883149307.db2.gz YUDKSSCRDIMMAX-CYBMUJFWSA-N 1 0 375.266 3.716 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249097427 912682269 /nfs/dbraw/zinc/68/22/69/912682269.db2.gz VRFUXCYYGFZJMU-UYAOXDASSA-N 1 0 385.414 3.544 20 30 GHEDRO Cc1cc(CNc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)ccc1C#N ZINC000551090765 883270259 /nfs/dbraw/zinc/27/02/59/883270259.db2.gz TWJCPGQGGCXEOM-JOCHJYFZSA-N 1 0 376.504 3.645 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000609515830 883285962 /nfs/dbraw/zinc/28/59/62/883285962.db2.gz JKTRIENJNVWONM-HDICACEKSA-N 1 0 392.503 3.843 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000774657903 912693983 /nfs/dbraw/zinc/69/39/83/912693983.db2.gz MKFXEJFAJFAIGL-FQEVSTJZSA-N 1 0 378.520 3.707 20 30 GHEDRO N#CCn1c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc2ccccc21 ZINC000609565208 883347906 /nfs/dbraw/zinc/34/79/06/883347906.db2.gz FGCFJZCTONSODG-UHFFFAOYSA-N 1 0 396.560 3.646 20 30 GHEDRO COc1nc(C)cc(C)c1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000609599718 883402316 /nfs/dbraw/zinc/40/23/16/883402316.db2.gz YJZCOZLYBXKMLQ-UHFFFAOYSA-N 1 0 375.476 3.774 20 30 GHEDRO COc1cccc([C@H]2CC(=O)N(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)C2)c1 ZINC000760533432 883448480 /nfs/dbraw/zinc/44/84/80/883448480.db2.gz XBOSFDYZGZXSAL-QFIPXVFZSA-N 1 0 391.515 3.998 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000609663059 883507218 /nfs/dbraw/zinc/50/72/18/883507218.db2.gz SYMRMAXSFLWCKE-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000609709528 883566095 /nfs/dbraw/zinc/56/60/95/883566095.db2.gz ORLNZROXDJDLMT-IRLDBZIGSA-N 1 0 382.529 3.591 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)CCOCC1 ZINC000859118536 883599660 /nfs/dbraw/zinc/59/96/60/883599660.db2.gz OJAFEJDYMLNBFS-QAPCUYQASA-N 1 0 382.426 3.914 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211703 883664129 /nfs/dbraw/zinc/66/41/29/883664129.db2.gz BHUQMBKRIFCFDB-HNNXBMFYSA-N 1 0 396.560 3.629 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)/C=C\c2ccccc2C#N)[NH+](C)C)cc1 ZINC000805274728 883731402 /nfs/dbraw/zinc/73/14/02/883731402.db2.gz CSBLSQVQHIASAX-QOYCNBSOSA-N 1 0 377.488 3.778 20 30 GHEDRO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000064614471 883754953 /nfs/dbraw/zinc/75/49/53/883754953.db2.gz LQGUEGNNYFSWMB-UHFFFAOYSA-N 1 0 397.475 3.505 20 30 GHEDRO Cc1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1-c1ccccc1 ZINC000237867858 883989250 /nfs/dbraw/zinc/98/92/50/883989250.db2.gz NQRNUDTWKIUAIX-LJQANCHMSA-N 1 0 389.478 3.950 20 30 GHEDRO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)o1 ZINC000897599793 883993324 /nfs/dbraw/zinc/99/33/24/883993324.db2.gz VZJUARFLBRLBSM-UHFFFAOYSA-N 1 0 381.428 3.571 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)C1 ZINC000805750546 884023579 /nfs/dbraw/zinc/02/35/79/884023579.db2.gz OHPTWFKBMKXWIK-HIFRSBDPSA-N 1 0 394.313 3.667 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(Br)cc1C#N)C1CC1 ZINC000805750098 884023612 /nfs/dbraw/zinc/02/36/12/884023612.db2.gz WUNXZGHEHRGXPP-INIZCTEOSA-N 1 0 394.313 3.714 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000805776686 884057459 /nfs/dbraw/zinc/05/74/59/884057459.db2.gz VJIZGIVCVRCVSG-HZPDHXFCSA-N 1 0 379.888 3.817 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000805785542 884067464 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391.924 3.549 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000080158537 884191785 /nfs/dbraw/zinc/19/17/85/884191785.db2.gz KBJZVCMYWLUHHD-FGSXEWAUSA-N 1 0 376.504 3.972 20 30 GHEDRO N#CCC1(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)CC1 ZINC000859953868 884202006 /nfs/dbraw/zinc/20/20/06/884202006.db2.gz ASIYWZBHXXSWAL-LEWJYISDSA-N 1 0 375.472 3.534 20 30 GHEDRO Cc1nccc(N2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000193121431 884334642 /nfs/dbraw/zinc/33/46/42/884334642.db2.gz YFYUDAOCEXIBDU-UHFFFAOYSA-N 1 0 397.526 3.807 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000860167090 884388486 /nfs/dbraw/zinc/38/84/86/884388486.db2.gz BHOXSWONZVQDTG-OAQYLSRUSA-N 1 0 399.535 3.796 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(OCC#N)cc1 ZINC000806169886 884390819 /nfs/dbraw/zinc/39/08/19/884390819.db2.gz RYEQKHZUCFWODD-GOEBONIOSA-N 1 0 383.414 3.573 20 30 GHEDRO C=CCC[C@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000495038670 884418828 /nfs/dbraw/zinc/41/88/28/884418828.db2.gz WUEIFTOEDAIEQM-DEOSSOPVSA-N 1 0 391.559 3.800 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000286652934 912843046 /nfs/dbraw/zinc/84/30/46/912843046.db2.gz IOCPASISUQAUDT-CVDCTZTESA-N 1 0 390.531 3.541 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CCC2)c1C#N ZINC000102926323 884635923 /nfs/dbraw/zinc/63/59/23/884635923.db2.gz LZPJJKCOFGZGMD-FQEVSTJZSA-N 1 0 380.492 3.821 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(OCC#N)c1 ZINC000860461326 884696626 /nfs/dbraw/zinc/69/66/26/884696626.db2.gz HIPJZXPBGBWFOD-JOCHJYFZSA-N 1 0 392.503 3.963 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1cccc(OC(C)C)c1)Cc1ccc(C#N)cc1 ZINC000532411319 884775734 /nfs/dbraw/zinc/77/57/34/884775734.db2.gz JACBHPORNSRXHH-UHFFFAOYSA-N 1 0 379.504 3.874 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\CCCn2cc(Br)cn2)c(O)c1 ZINC000806551810 884803718 /nfs/dbraw/zinc/80/37/18/884803718.db2.gz NIFMMRVJODKXAV-ODLFYWEKSA-N 1 0 379.302 3.707 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612148414 884832653 /nfs/dbraw/zinc/83/26/53/884832653.db2.gz GDNBMDGQEVMEMC-BPAFIMBUSA-N 1 0 392.906 3.807 20 30 GHEDRO CC(C)(CC#N)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000860659009 884891053 /nfs/dbraw/zinc/89/10/53/884891053.db2.gz VBLMTJJZGUJQKL-LEWJYISDSA-N 1 0 377.488 3.780 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)CC1 ZINC000106040456 884936067 /nfs/dbraw/zinc/93/60/67/884936067.db2.gz AIBHMPHYOSEIQB-UHFFFAOYSA-N 1 0 398.576 3.558 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000103474941 885023292 /nfs/dbraw/zinc/02/32/92/885023292.db2.gz PICDKTPWJJQBEY-HSZRJFAPSA-N 1 0 399.498 3.618 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000106340769 885038496 /nfs/dbraw/zinc/03/84/96/885038496.db2.gz QRWBLZPKTVWYIS-QFIPXVFZSA-N 1 0 378.520 3.643 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981598 885084298 /nfs/dbraw/zinc/08/42/98/885084298.db2.gz HQPDYOVQXHVXGK-SONCPKABSA-N 1 0 395.890 3.711 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981594 885084674 /nfs/dbraw/zinc/08/46/74/885084674.db2.gz HQPDYOVQXHVXGK-ROFLEHJCSA-N 1 0 395.890 3.711 20 30 GHEDRO C[C@H](CCNC(=O)NC1(c2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000498722760 885488037 /nfs/dbraw/zinc/48/80/37/885488037.db2.gz QGQVVLCTBDCREB-GOSISDBHSA-N 1 0 376.504 3.757 20 30 GHEDRO CCOc1cc(C=NNC(N)=[NH2+])ccc1OCc1c(Cl)cccc1Cl ZINC000915051182 885583106 /nfs/dbraw/zinc/58/31/06/885583106.db2.gz WUEINHXHACTTRR-UHFFFAOYSA-N 1 0 381.263 3.788 20 30 GHEDRO CC(C)(C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000861509225 885593607 /nfs/dbraw/zinc/59/36/07/885593607.db2.gz HVIKDHDQQOZSTD-XMMPIXPASA-N 1 0 375.516 3.864 20 30 GHEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000303627447 885653417 /nfs/dbraw/zinc/65/34/17/885653417.db2.gz YBKCQMMGGCTRFS-IBGZPJMESA-N 1 0 380.536 3.997 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)C(C)(C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000861677409 885755667 /nfs/dbraw/zinc/75/56/67/885755667.db2.gz PWACAUHVHSLRAQ-GOSISDBHSA-N 1 0 383.923 3.951 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)OC(C)(C)C3)sc2C1 ZINC000532487516 885823117 /nfs/dbraw/zinc/82/31/17/885823117.db2.gz FKXWIXKHARFWIO-KGLIPLIRSA-N 1 0 375.538 3.572 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000556692650 885884393 /nfs/dbraw/zinc/88/43/93/885884393.db2.gz LCRASDSXHNDIOV-RBUKOAKNSA-N 1 0 375.497 3.909 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153507987 885953199 /nfs/dbraw/zinc/95/31/99/885953199.db2.gz SRXONUOQYYNUER-QGZVFWFLSA-N 1 0 376.566 3.790 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C2CC2)C2CCCC2)c1=S ZINC000915208713 886031433 /nfs/dbraw/zinc/03/14/33/886031433.db2.gz NVXWYFXIIFWDIH-UHFFFAOYSA-N 1 0 389.613 3.993 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000498887648 886032849 /nfs/dbraw/zinc/03/28/49/886032849.db2.gz CSUHACZZUQUNMI-PGRDOPGGSA-N 1 0 388.515 3.900 20 30 GHEDRO N#CCCn1ncc(C(=O)NCCCCC[NH+]2CCCCC2)c1-c1ccccc1 ZINC000428712716 886065964 /nfs/dbraw/zinc/06/59/64/886065964.db2.gz ZBAZTIUWDHHKJV-UHFFFAOYSA-N 1 0 393.535 3.850 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc4scnc43)CC2)c1 ZINC000862138007 886150443 /nfs/dbraw/zinc/15/04/43/886150443.db2.gz UUOKFEOVEBQLBP-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO COc1ccc2c(c1)CCC[N@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000537609597 886440847 /nfs/dbraw/zinc/44/08/47/886440847.db2.gz WMKUIDNHGIMSBV-QFIPXVFZSA-N 1 0 375.472 3.511 20 30 GHEDRO COc1cccc([C@@H](O)C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000862543107 886453798 /nfs/dbraw/zinc/45/37/98/886453798.db2.gz COZWQOXHUOYWJW-HXOBKFHXSA-N 1 0 380.488 3.932 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000777264938 886460889 /nfs/dbraw/zinc/46/08/89/886460889.db2.gz HMIPJHGYLHGCEL-OAQYLSRUSA-N 1 0 382.548 3.707 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000556898867 886566568 /nfs/dbraw/zinc/56/65/68/886566568.db2.gz TYMOZUCCUYUCJH-GLJUWKHASA-N 1 0 397.548 3.993 20 30 GHEDRO C[NH+]=C(NCc1cc(Br)cs1)NCc1nc(C(C)C)cs1 ZINC000119076220 886582052 /nfs/dbraw/zinc/58/20/52/886582052.db2.gz PVEYZZPBVYHZHH-UHFFFAOYSA-N 1 0 387.372 3.956 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@H]1c1ccccc1 ZINC000487968480 886585724 /nfs/dbraw/zinc/58/57/24/886585724.db2.gz MVYTWHDBLSWFTF-QZTJIDSGSA-N 1 0 399.292 3.888 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000670197579 886744841 /nfs/dbraw/zinc/74/48/41/886744841.db2.gz UPTBJUJHFPLMDX-LJQANCHMSA-N 1 0 389.588 3.872 20 30 GHEDRO N#CC[C@H](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000476526631 886746388 /nfs/dbraw/zinc/74/63/88/886746388.db2.gz UIUFXMILHVFTGN-LJQANCHMSA-N 1 0 377.488 3.669 20 30 GHEDRO CCCC#CC(=O)Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001184270376 913088626 /nfs/dbraw/zinc/08/86/26/913088626.db2.gz MTFUFZQCRCVSAM-UHFFFAOYSA-N 1 0 381.520 3.519 20 30 GHEDRO CCCC#CC(=O)Nc1cc(C(=O)OCC[NH+](CC)CC)ccc1OCCC ZINC001184273598 913090726 /nfs/dbraw/zinc/09/07/26/913090726.db2.gz SXJFBHRXDUIIAV-UHFFFAOYSA-N 1 0 388.508 3.716 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000119474849 887121478 /nfs/dbraw/zinc/12/14/78/887121478.db2.gz GDXYOUZLKUHXFA-SIKLNZKXSA-N 1 0 376.500 3.583 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001184308734 913118815 /nfs/dbraw/zinc/11/88/15/913118815.db2.gz VTQXFXGMKMBSAE-UHFFFAOYSA-N 1 0 390.499 3.538 20 30 GHEDRO CC(C)[NH+](CCN(C)C(=O)Nc1ccc(C#N)c(Br)c1)C(C)C ZINC000487992064 887198585 /nfs/dbraw/zinc/19/85/85/887198585.db2.gz KVIUTCKGPOSPEA-UHFFFAOYSA-N 1 0 381.318 3.903 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2cc(C[NH2+]C[C@H](O)CC3(C#N)CC3)ccc21 ZINC000863556543 887209878 /nfs/dbraw/zinc/20/98/78/887209878.db2.gz FUVOKNNEIMHBQO-GOSISDBHSA-N 1 0 385.508 3.519 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[C@@H]1C ZINC000488000427 887276590 /nfs/dbraw/zinc/27/65/90/887276590.db2.gz FIRRJTMLGQHXEG-YJBOKZPZSA-N 1 0 389.565 3.964 20 30 GHEDRO C=C(Br)CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000763008042 887546122 /nfs/dbraw/zinc/54/61/22/887546122.db2.gz AMAWZWDGNJSQNE-UHFFFAOYSA-N 1 0 392.341 3.593 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@H](CC)c2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000809607305 887577187 /nfs/dbraw/zinc/57/71/87/887577187.db2.gz WGPRSLABVJWIRI-JOCHJYFZSA-N 1 0 376.500 3.910 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)ccc1OC ZINC000809619178 887591350 /nfs/dbraw/zinc/59/13/50/887591350.db2.gz QVCVHOAGESWPBT-OFLPRAFFSA-N 1 0 389.496 3.521 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000153328897 887651841 /nfs/dbraw/zinc/65/18/41/887651841.db2.gz QOYVCXJBVKCIRE-HNAYVOBHSA-N 1 0 383.517 3.544 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000864328992 887705901 /nfs/dbraw/zinc/70/59/01/887705901.db2.gz PKSDVEIPUDWKIS-JQYPEGPJSA-N 1 0 396.487 3.820 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)s2)cc1 ZINC000532682260 887721261 /nfs/dbraw/zinc/72/12/61/887721261.db2.gz ADIJOHDFFIFZDQ-IBGZPJMESA-N 1 0 380.517 3.951 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3Cc4ccc(OC)cc4C3)C2)CC1 ZINC001168264349 887760630 /nfs/dbraw/zinc/76/06/30/887760630.db2.gz RSQGISFBDMMINB-HXUWFJFHSA-N 1 0 384.520 3.663 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)C(C)(C)C ZINC000809781405 887833480 /nfs/dbraw/zinc/83/34/80/887833480.db2.gz QPTWJQHXXQDKKZ-OAQYLSRUSA-N 1 0 386.536 3.614 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1C ZINC000810018270 888086674 /nfs/dbraw/zinc/08/66/74/888086674.db2.gz GGZIYKUOXHSBQX-OAQYLSRUSA-N 1 0 399.560 3.961 20 30 GHEDRO CC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCOC(C)(C)C1 ZINC000810042777 888088852 /nfs/dbraw/zinc/08/88/52/888088852.db2.gz JIIJSNABGUBHMD-DLBZAZTESA-N 1 0 378.476 3.503 20 30 GHEDRO O=C(NC1CC1)c1cc(F)c(N=NC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000763182786 888131125 /nfs/dbraw/zinc/13/11/25/888131125.db2.gz IIJCUMSIXWERGY-UHFFFAOYSA-N 1 0 376.451 3.663 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1N1CCC(O)CC1 ZINC000810217385 888294182 /nfs/dbraw/zinc/29/41/82/888294182.db2.gz CLCDPHRHWWGSQY-QRQCRPRQSA-N 1 0 379.479 3.997 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(Br)cc3C)C2)C1=O ZINC001275309401 913230311 /nfs/dbraw/zinc/23/03/11/913230311.db2.gz XJRSKPYRMLZZMM-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO COC[C@@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCCN1C(=O)OC(C)(C)C ZINC000810240998 888339036 /nfs/dbraw/zinc/33/90/36/888339036.db2.gz KOZPPBKMPSJXGO-KNQAVFIVSA-N 1 0 385.508 3.551 20 30 GHEDRO C#Cc1ccccc1CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000810360942 888454159 /nfs/dbraw/zinc/45/41/59/888454159.db2.gz BXTRFINOXNIUGL-UHFFFAOYSA-N 1 0 380.919 3.892 20 30 GHEDRO Cc1ccnc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1Br ZINC000865616848 888477973 /nfs/dbraw/zinc/47/79/73/888477973.db2.gz KKTCFLGLCBLBQS-UHFFFAOYSA-N 1 0 399.336 3.778 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)c(OC)c2)no1 ZINC001211972952 888745812 /nfs/dbraw/zinc/74/58/12/888745812.db2.gz JSVGYWQYOYPSEX-WBVHZDCISA-N 1 0 377.460 3.962 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)C=NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000747628611 888864046 /nfs/dbraw/zinc/86/40/46/888864046.db2.gz PMTVLJSPNBOUIG-HSZRJFAPSA-N 1 0 392.503 3.598 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000532753976 888886116 /nfs/dbraw/zinc/88/61/16/888886116.db2.gz SYJOCCSLMVKJOG-UHFFFAOYSA-N 1 0 383.395 3.979 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(CC#N)c3)c(C)c2)CC1 ZINC000454349956 888893339 /nfs/dbraw/zinc/89/33/39/888893339.db2.gz WNXNZYMZIANKRW-UHFFFAOYSA-N 1 0 377.492 3.847 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000532827021 889026563 /nfs/dbraw/zinc/02/65/63/889026563.db2.gz FPVDOXKIVKDGSR-CBGDNZLLSA-N 1 0 391.943 3.874 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000810994580 889085144 /nfs/dbraw/zinc/08/51/44/889085144.db2.gz ONKYGCNJDNOMFQ-LJQANCHMSA-N 1 0 389.862 3.548 20 30 GHEDRO COC(=O)c1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc(C(=O)OC)c1 ZINC001170623167 889092062 /nfs/dbraw/zinc/09/20/62/889092062.db2.gz LZHYPKNZIWLGKK-HXUWFJFHSA-N 1 0 380.444 3.785 20 30 GHEDRO CC(=NNC(=S)NCc1ccccc1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000916542350 889098537 /nfs/dbraw/zinc/09/85/37/889098537.db2.gz ZFYASSOIUBOYFW-UHFFFAOYSA-N 1 0 396.560 3.766 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)Nc3ccc(C#N)cc3Cl)CCCC2)CC1 ZINC000532860570 889104121 /nfs/dbraw/zinc/10/41/21/889104121.db2.gz XXWMOFHKZFQLNU-UHFFFAOYSA-N 1 0 390.915 3.757 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SCC#N)cc2)CC1 ZINC000916564764 889140439 /nfs/dbraw/zinc/14/04/39/889140439.db2.gz IDPYNRZUFKOOMA-UHFFFAOYSA-N 1 0 380.517 3.696 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763408107 889233110 /nfs/dbraw/zinc/23/31/10/889233110.db2.gz PBAOGSWXAOMWHC-PWRODBHTSA-N 1 0 399.535 3.703 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C(F)(F)F)c1 ZINC000868208836 889352873 /nfs/dbraw/zinc/35/28/73/889352873.db2.gz CLESLQHSEVJCAF-ROUUACIJSA-N 1 0 390.409 3.941 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000532968401 889404026 /nfs/dbraw/zinc/40/40/26/889404026.db2.gz HJOKYPOIDFXFDB-RBUKOAKNSA-N 1 0 377.488 3.820 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000124963545 889829763 /nfs/dbraw/zinc/82/97/63/889829763.db2.gz KJNLBSREUNJHBP-FPOVZHCZSA-N 1 0 391.515 3.682 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000125011358 889846598 /nfs/dbraw/zinc/84/65/98/889846598.db2.gz JFGNLDHRPAMWBU-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(OC)n1)[n+]1ccc2c(c1)CCCC2 ZINC000811723889 889922904 /nfs/dbraw/zinc/92/29/04/889922904.db2.gz PSOBLRMILJRZIL-UHFFFAOYSA-O 1 0 396.536 3.633 20 30 GHEDRO N#Cc1c(C#N)c2c(nc1NC1CC[NH+](C[C@H]3CCCO3)CC1)CCCCCC2 ZINC000795077845 889934774 /nfs/dbraw/zinc/93/47/74/889934774.db2.gz QDPLYXRQOCPGEN-GOSISDBHSA-N 1 0 393.535 3.539 20 30 GHEDRO COCC[N@H+](C)[C@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001184781067 913428943 /nfs/dbraw/zinc/42/89/43/913428943.db2.gz BRKIYUDHNKANML-LJQANCHMSA-N 1 0 386.883 3.653 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000795099947 890244430 /nfs/dbraw/zinc/24/44/30/890244430.db2.gz NDSBEWGJUSRFSL-UYAOXDASSA-N 1 0 385.508 3.658 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870187591 890252927 /nfs/dbraw/zinc/25/29/27/890252927.db2.gz WEPVROOCMAEBSB-IBGZPJMESA-N 1 0 375.516 3.517 20 30 GHEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000812049952 890259215 /nfs/dbraw/zinc/25/92/15/890259215.db2.gz KIQUNHRQOSQDQR-YXJHDRRASA-N 1 0 381.442 3.751 20 30 GHEDRO N#CC1(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCC2)CCCCC1 ZINC000533370853 890403469 /nfs/dbraw/zinc/40/34/69/890403469.db2.gz TYSWBYFJSOOCCP-UHFFFAOYSA-N 1 0 390.325 3.761 20 30 GHEDRO N#CC1(N[C@@H]2CCc3cc(F)cc(F)c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001170668335 890465007 /nfs/dbraw/zinc/46/50/07/890465007.db2.gz GRCNURKJUSTWFB-HXUWFJFHSA-N 1 0 381.470 3.970 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000455185226 890485305 /nfs/dbraw/zinc/48/53/05/890485305.db2.gz GXDOAQRLBFEUFM-FQEVSTJZSA-N 1 0 398.551 3.622 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC001184819949 913460667 /nfs/dbraw/zinc/46/06/67/913460667.db2.gz HUQQDWZDHMYFHW-HZPDHXFCSA-N 1 0 380.448 3.688 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533430091 890543942 /nfs/dbraw/zinc/54/39/42/890543942.db2.gz JCUMPKSXXNDBAD-OLMNPRSZSA-N 1 0 375.538 3.701 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170678325 890699986 /nfs/dbraw/zinc/69/99/86/890699986.db2.gz XCKCRNRXOGOGPF-OAQYLSRUSA-N 1 0 381.470 3.948 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(CC#N)ccn2)[NH+]2CCCCC2)cc1 ZINC000871718515 890990040 /nfs/dbraw/zinc/99/00/40/890990040.db2.gz ICICUPKTEDQCMV-HXUWFJFHSA-N 1 0 393.491 3.505 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871723047 890990698 /nfs/dbraw/zinc/99/06/98/890990698.db2.gz PSCHVEUXZOVFTO-UHFFFAOYSA-N 1 0 377.492 3.524 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cc1 ZINC000812865941 891084520 /nfs/dbraw/zinc/08/45/20/891084520.db2.gz JTVLPOVREVBREC-HSZRJFAPSA-N 1 0 380.488 3.911 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812937169 891146382 /nfs/dbraw/zinc/14/63/82/891146382.db2.gz TYYGORMMKLUDFN-XMSQKQJNSA-N 1 0 379.479 3.806 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278452 891224432 /nfs/dbraw/zinc/22/44/32/891224432.db2.gz QQHZCPXJDHMDMK-DYESRHJHSA-N 1 0 387.499 3.884 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)CCO2 ZINC001170696291 891258701 /nfs/dbraw/zinc/25/87/01/891258701.db2.gz RBVLVIHMSRWGJS-SFGWALBWSA-N 1 0 377.475 3.896 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2ncc(-c3cccc(Cl)c3)o2)cc1 ZINC000747838660 891271187 /nfs/dbraw/zinc/27/11/87/891271187.db2.gz GJUYIODFEMWXPI-UHFFFAOYSA-N 1 0 384.867 3.894 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1=S ZINC000872723494 891314133 /nfs/dbraw/zinc/31/41/33/891314133.db2.gz LUVJDZNLYCAFKI-MOPGFXCFSA-N 1 0 383.565 3.559 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000287803904 913544280 /nfs/dbraw/zinc/54/42/80/913544280.db2.gz OPWBQTWTPCREHK-JKSUJKDBSA-N 1 0 375.538 3.645 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124233504 891317283 /nfs/dbraw/zinc/31/72/83/891317283.db2.gz HODPRLTYQBOLKV-UYAOXDASSA-N 1 0 382.467 3.788 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOC(F)(F)C(F)(F)F)c(-c2ccccc2)n1 ZINC000873159345 891488561 /nfs/dbraw/zinc/48/85/61/891488561.db2.gz KRDNYUWEBZCFJB-UHFFFAOYSA-N 1 0 388.340 3.725 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC000873183168 891509346 /nfs/dbraw/zinc/50/93/46/891509346.db2.gz XAEQKEGEIXIWBE-WNHJNPCNSA-N 1 0 385.508 3.855 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000497443537 891603670 /nfs/dbraw/zinc/60/36/70/891603670.db2.gz SIJGPTKBLAJZJO-HXUWFJFHSA-N 1 0 397.519 3.524 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3OC(F)(F)F)C2)C1=O ZINC001275372773 913600035 /nfs/dbraw/zinc/60/00/35/913600035.db2.gz NKSKXWCSVONXIM-QGZVFWFLSA-N 1 0 388.817 3.849 20 30 GHEDRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000874006350 891924770 /nfs/dbraw/zinc/92/47/70/891924770.db2.gz KVJNZQCSLFYBFX-NRFANRHFSA-N 1 0 377.488 3.639 20 30 GHEDRO CC[N@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000497600387 891980552 /nfs/dbraw/zinc/98/05/52/891980552.db2.gz ZFZGVZVZSHKULT-JKSUJKDBSA-N 1 0 385.458 3.967 20 30 GHEDRO CC(C)[C@H](COCc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000615085797 892091054 /nfs/dbraw/zinc/09/10/54/892091054.db2.gz GHIPWZGOISLCOM-QFIPXVFZSA-N 1 0 378.520 3.753 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(OC)c(C#N)c1 ZINC000162254644 892121610 /nfs/dbraw/zinc/12/16/10/892121610.db2.gz VRYYDBDSXRZQJJ-UHFFFAOYSA-N 1 0 397.548 3.665 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000729812262 892227306 /nfs/dbraw/zinc/22/73/06/892227306.db2.gz QAUHDBYBFMBVFO-KRWDZBQOSA-N 1 0 393.418 3.592 20 30 GHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000814109231 892271765 /nfs/dbraw/zinc/27/17/65/892271765.db2.gz OJFIGULOZZACNL-UHFFFAOYSA-N 1 0 391.393 3.907 20 30 GHEDRO CC(C)(O)C[NH+]1CCC(=NNC(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000814214139 892399229 /nfs/dbraw/zinc/39/92/29/892399229.db2.gz UFMAFVVSYKJIRL-UHFFFAOYSA-N 1 0 389.352 3.503 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc4nccnc4c3)CC2)C1 ZINC001137084313 892428234 /nfs/dbraw/zinc/42/82/34/892428234.db2.gz HACXNMLVUBMASP-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccccc3-n3cccn3)CC2)C1 ZINC001137093446 892776670 /nfs/dbraw/zinc/77/66/70/892776670.db2.gz DQYWXOCGPMBMAP-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000273526448 892949984 /nfs/dbraw/zinc/94/99/84/892949984.db2.gz XXNRJEKLMMEMQV-GOSISDBHSA-N 1 0 398.551 3.695 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C)C1 ZINC000455696261 893004452 /nfs/dbraw/zinc/00/44/52/893004452.db2.gz BVNHCMHLOMKYNI-QAPCUYQASA-N 1 0 392.931 3.665 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC001185157629 913723120 /nfs/dbraw/zinc/72/31/20/913723120.db2.gz HTZMBZITWJYKDN-GFCCVEGCSA-N 1 0 376.426 3.868 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000508737688 893036663 /nfs/dbraw/zinc/03/66/63/893036663.db2.gz BGUDCUKTEVJGHE-INIZCTEOSA-N 1 0 396.926 3.996 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc2cnccc2o1 ZINC000876294094 893059474 /nfs/dbraw/zinc/05/94/74/893059474.db2.gz FNFXJJDESUNFHF-MRXNPFEDSA-N 1 0 391.475 3.534 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000778174127 893074857 /nfs/dbraw/zinc/07/48/57/893074857.db2.gz ZOFDNZTXZMGBEO-UHFFFAOYSA-N 1 0 385.895 3.854 20 30 GHEDRO Cc1ccc(F)c(Br)c1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000455742577 893147230 /nfs/dbraw/zinc/14/72/30/893147230.db2.gz BWQHDWLNLAVLLE-UHFFFAOYSA-N 1 0 385.281 3.596 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455763966 893229034 /nfs/dbraw/zinc/22/90/34/893229034.db2.gz PXFOBYCFKBMXFU-KRWDZBQOSA-N 1 0 398.898 3.520 20 30 GHEDRO CC(C)(C)OC(=O)NC(=C[NH2+]Nc1ccnc2ccccc21)CC(F)(F)F ZINC000814841389 893230791 /nfs/dbraw/zinc/23/07/91/893230791.db2.gz OITZRTNEFHNYRM-GFCCVEGCSA-N 1 0 382.386 3.900 20 30 GHEDRO CC(N=Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814858326 893239685 /nfs/dbraw/zinc/23/96/85/893239685.db2.gz UAQNNGCCZGUULI-UHFFFAOYSA-N 1 0 398.514 3.552 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000876637769 893268455 /nfs/dbraw/zinc/26/84/55/893268455.db2.gz RPVDGSKRBOAZMV-ROUUACIJSA-N 1 0 388.895 3.574 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455788870 893282703 /nfs/dbraw/zinc/28/27/03/893282703.db2.gz OOLZRRHSLUTDGK-KSSFIOAISA-N 1 0 383.883 3.639 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455792901 893288547 /nfs/dbraw/zinc/28/85/47/893288547.db2.gz RGVOEAQXCDTSRE-UHFFFAOYSA-N 1 0 377.920 3.973 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(OCCC)cc1 ZINC000876729902 893303356 /nfs/dbraw/zinc/30/33/56/893303356.db2.gz AEJYNRQSASKCCA-SFHVURJKSA-N 1 0 389.883 3.749 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2cc(Cl)nc(COC)n2)ccc1O ZINC000814976368 893314141 /nfs/dbraw/zinc/31/41/41/893314141.db2.gz QLAMKDDKCAXJHP-UHFFFAOYSA-N 1 0 391.903 3.660 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000876866403 893367274 /nfs/dbraw/zinc/36/72/74/893367274.db2.gz FIFDQIKLKMGJET-IBGZPJMESA-N 1 0 384.568 3.975 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000876909683 893383896 /nfs/dbraw/zinc/38/38/96/893383896.db2.gz FIYDBIBASMYRNP-NVXWUHKLSA-N 1 0 376.863 3.739 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc4nc(Cl)ccc4s3)CC2)nc1 ZINC000877005845 893431720 /nfs/dbraw/zinc/43/17/20/893431720.db2.gz WMJBITCXHCRESF-UHFFFAOYSA-N 1 0 383.908 3.975 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2nc3ccccc3nc2C)ccc1OC ZINC000877029551 893445373 /nfs/dbraw/zinc/44/53/73/893445373.db2.gz GYSTXJVASXHFCX-KRWDZBQOSA-N 1 0 376.460 3.918 20 30 GHEDRO C=CCC(F)(F)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000815102034 893472857 /nfs/dbraw/zinc/47/28/57/893472857.db2.gz FCEFOSALWSNCGA-UHFFFAOYSA-N 1 0 386.446 3.554 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC001137117775 893552852 /nfs/dbraw/zinc/55/28/52/893552852.db2.gz GDONKPIHYRPZDJ-NRFANRHFSA-N 1 0 381.501 3.670 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815200694 893554491 /nfs/dbraw/zinc/55/44/91/893554491.db2.gz IVWDIHDLZFGYAP-RTBURBONSA-N 1 0 393.572 3.523 20 30 GHEDRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137118367 893555973 /nfs/dbraw/zinc/55/59/73/893555973.db2.gz VKHZHHTUCFUHTR-JOCHJYFZSA-N 1 0 389.499 3.569 20 30 GHEDRO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119617 893572630 /nfs/dbraw/zinc/57/26/30/893572630.db2.gz ZOPDFVOMNOHBGW-TUACAJSNSA-N 1 0 390.531 3.716 20 30 GHEDRO CCCc1c(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cnn1-c1cccc(C#N)c1 ZINC000459498187 893634520 /nfs/dbraw/zinc/63/45/20/893634520.db2.gz BDXSRMWPJVFAHY-QGZVFWFLSA-N 1 0 394.523 3.550 20 30 GHEDRO C#CCCCCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000877570635 893696115 /nfs/dbraw/zinc/69/61/15/893696115.db2.gz LGCKLPICKLFLIQ-LJQANCHMSA-N 1 0 378.557 3.823 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000934554562 893709215 /nfs/dbraw/zinc/70/92/15/893709215.db2.gz QJRPFGUUDIINHM-DLBZAZTESA-N 1 0 397.498 3.808 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000934557368 893712266 /nfs/dbraw/zinc/71/22/66/893712266.db2.gz OYRDLRVCMZSISX-UONOGXRCSA-N 1 0 397.548 3.783 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000877605938 893712538 /nfs/dbraw/zinc/71/25/38/893712538.db2.gz LSIJLMKJIOHDBX-QGZVFWFLSA-N 1 0 387.524 3.900 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC000877614445 893719839 /nfs/dbraw/zinc/71/98/39/893719839.db2.gz DHJJSYHCQYQLDL-FCGDIQPGSA-N 1 0 379.545 3.853 20 30 GHEDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1)C1(C#N)CCCCC1 ZINC000459528734 893735386 /nfs/dbraw/zinc/73/53/86/893735386.db2.gz LIENYEAJKJVYAG-OAQYLSRUSA-N 1 0 383.536 3.555 20 30 GHEDRO CC(=O)Nc1cccc2c1CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000877681089 893758537 /nfs/dbraw/zinc/75/85/37/893758537.db2.gz DOLPJYIAIOOTLV-UHFFFAOYSA-N 1 0 399.498 3.980 20 30 GHEDRO Cc1nsc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC000459557145 893802982 /nfs/dbraw/zinc/80/29/82/893802982.db2.gz GUFQELXQQAUVAE-CQSZACIVSA-N 1 0 375.542 3.832 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000563501918 893834090 /nfs/dbraw/zinc/83/40/90/893834090.db2.gz RUVOSKBVWYCGRD-AZUAARDMSA-N 1 0 378.451 3.775 20 30 GHEDRO COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455840279 894003171 /nfs/dbraw/zinc/00/31/71/894003171.db2.gz DEVQZKJAACFWKE-HXUWFJFHSA-N 1 0 394.475 3.776 20 30 GHEDRO C#Cc1ccc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000934933098 894053085 /nfs/dbraw/zinc/05/30/85/894053085.db2.gz LPOAVEUHPOBJMC-SFHVURJKSA-N 1 0 377.488 3.689 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000459723745 894109467 /nfs/dbraw/zinc/10/94/67/894109467.db2.gz YNEAHAVNTKBNHA-UHFFFAOYSA-N 1 0 382.302 3.573 20 30 GHEDRO O=C(c1cc(F)ccc1F)C(C(=S)Nc1ccccc1)[n+]1cccc(CO)c1 ZINC000022730050 894333216 /nfs/dbraw/zinc/33/32/16/894333216.db2.gz AXNJYTULRMXZJI-UHFFFAOYSA-O 1 0 399.442 3.796 20 30 GHEDRO N#Cc1cc(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000816011985 894367188 /nfs/dbraw/zinc/36/71/88/894367188.db2.gz DYOVMGWRSFFDSR-KRWDZBQOSA-N 1 0 389.377 3.793 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(CC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022798663 894410110 /nfs/dbraw/zinc/41/01/10/894410110.db2.gz ZSUFNIVQOVLWKC-UHFFFAOYSA-O 1 0 382.553 3.707 20 30 GHEDRO COc1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000127269346 894491387 /nfs/dbraw/zinc/49/13/87/894491387.db2.gz MBSZLYGMOCAFEI-HSZRJFAPSA-N 1 0 375.472 3.961 20 30 GHEDRO Cc1csc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC000564096532 894587887 /nfs/dbraw/zinc/58/78/87/894587887.db2.gz LVHUQFWLXQVZKH-QZTJIDSGSA-N 1 0 380.517 3.914 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC2)nc1 ZINC000879027045 894793403 /nfs/dbraw/zinc/79/34/03/894793403.db2.gz QRCFRDVESNHQEA-IBGZPJMESA-N 1 0 375.394 3.885 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000564293460 894829203 /nfs/dbraw/zinc/82/92/03/894829203.db2.gz MCVOYMKMZJVNQK-PKOBYXMFSA-N 1 0 396.560 3.709 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000564636035 895147481 /nfs/dbraw/zinc/14/74/81/895147481.db2.gz MDXYNQVKBLWOKJ-QHCPKHFHSA-N 1 0 392.478 3.505 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)c2ccccc2OCC#N)[NH+](CC)CC)cc1 ZINC000817158068 895357191 /nfs/dbraw/zinc/35/71/91/895357191.db2.gz PRJMUOZBKMHWDI-OAQYLSRUSA-N 1 0 379.504 3.964 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817280789 895433118 /nfs/dbraw/zinc/43/31/18/895433118.db2.gz CZYCQKWKPSUBLC-ZFWWWQNUSA-N 1 0 388.393 3.888 20 30 GHEDRO C=C(C)CCc1noc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)n1 ZINC000288981804 913980261 /nfs/dbraw/zinc/98/02/61/913980261.db2.gz CATVSIRJACIDAA-UXHICEINSA-N 1 0 377.492 3.695 20 30 GHEDRO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000880382687 895678259 /nfs/dbraw/zinc/67/82/59/895678259.db2.gz UWDMLVBRAUQNRW-IBGZPJMESA-N 1 0 376.378 3.509 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)ccc1C#N ZINC000565689655 895810886 /nfs/dbraw/zinc/81/08/86/895810886.db2.gz JSKLZEMUGJRKJO-HNNXBMFYSA-N 1 0 385.895 3.747 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC001136025957 895927836 /nfs/dbraw/zinc/92/78/36/895927836.db2.gz FUJVOOXZSQJUHW-LEWJYISDSA-N 1 0 377.463 3.809 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000566120049 896121266 /nfs/dbraw/zinc/12/12/66/896121266.db2.gz FGUDYYDKSNJEHH-QDSKXPNFSA-N 1 0 376.500 3.980 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000819124430 896423940 /nfs/dbraw/zinc/42/39/40/896423940.db2.gz VFVJDKBIWJFFCJ-ZIAGYGMSSA-N 1 0 385.986 3.582 20 30 GHEDRO N#CCC[NH2+]C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000819270443 896558083 /nfs/dbraw/zinc/55/80/83/896558083.db2.gz ZHSCJRGIQNQIOB-SFHVURJKSA-N 1 0 379.287 3.964 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@H](C#N)CCC#N)C2CC3CC(C2)CC1C3 ZINC000819359314 896602362 /nfs/dbraw/zinc/60/23/62/896602362.db2.gz DQNGWUCBAIIBJZ-MBAXHRRTSA-N 1 0 386.540 3.739 20 30 GHEDRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+]Cc2ccc(C#N)cn2)c2ccccc2)cc1 ZINC000819314296 896607246 /nfs/dbraw/zinc/60/72/46/896607246.db2.gz WTAJIMKEJMGCLQ-RPWUZVMVSA-N 1 0 387.483 3.518 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC000129519383 896703051 /nfs/dbraw/zinc/70/30/51/896703051.db2.gz DUGXLLPNWCSLTB-JOCHJYFZSA-N 1 0 396.918 3.899 20 30 GHEDRO N#CC[C@H](CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC000882398361 896790202 /nfs/dbraw/zinc/79/02/02/896790202.db2.gz VTUKSLUAMRCISF-NFBKMPQASA-N 1 0 388.515 3.997 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000567070456 896846606 /nfs/dbraw/zinc/84/66/06/896846606.db2.gz XBBBZRWFOKUIIZ-INIZCTEOSA-N 1 0 391.496 3.723 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3(C#N)CCSCC3)cc2)C1 ZINC001136252944 896880248 /nfs/dbraw/zinc/88/02/48/896880248.db2.gz TWFPQTLHGKXSFJ-QZTJIDSGSA-N 1 0 385.577 3.818 20 30 GHEDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)C[N@@H+]2C1 ZINC001136265066 896951518 /nfs/dbraw/zinc/95/15/18/896951518.db2.gz OJTNJDDGRGQGOT-HHXXYDBFSA-N 1 0 376.460 3.804 20 30 GHEDRO C=CCc1cc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)cc(OC)c1O ZINC000567281907 897031298 /nfs/dbraw/zinc/03/12/98/897031298.db2.gz TYSNIMUSVBJZFW-KOSHJBKYSA-N 1 0 397.515 3.671 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001276323818 914130415 /nfs/dbraw/zinc/13/04/15/914130415.db2.gz GVMOIQDJRAGWGQ-FQEVSTJZSA-N 1 0 397.346 3.663 20 30 GHEDRO C=CCC1(C(=O)OC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(OC)cc2)CCOCC1 ZINC000820079879 897139418 /nfs/dbraw/zinc/13/94/18/897139418.db2.gz QHNZKMNJUFPFSB-TZIWHRDSSA-N 1 0 387.520 3.994 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000130633161 897164265 /nfs/dbraw/zinc/16/42/65/897164265.db2.gz GFCFUCBGVUJKNR-CZUORRHYSA-N 1 0 378.266 3.656 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C/c3ccc4ccccc4n3)CC2)cc1 ZINC000026636730 897244051 /nfs/dbraw/zinc/24/40/51/897244051.db2.gz LGWWNYLOPDAFFC-OUKQBFOZSA-N 1 0 396.494 3.854 20 30 GHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000567692241 897340132 /nfs/dbraw/zinc/34/01/32/897340132.db2.gz QZMPPGRBXBZEPE-BEFAXECRSA-N 1 0 392.421 3.732 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC000821342351 897844721 /nfs/dbraw/zinc/84/47/21/897844721.db2.gz MZWWWQKWQPCQJI-SFTDATJTSA-N 1 0 393.487 3.847 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000568478540 897875004 /nfs/dbraw/zinc/87/50/04/897875004.db2.gz CCZYDXDXOSWDAL-INIZCTEOSA-N 1 0 379.464 3.694 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1C#N ZINC001136465261 897973884 /nfs/dbraw/zinc/97/38/84/897973884.db2.gz JBNARJPNHWYGIG-INIZCTEOSA-N 1 0 378.314 3.705 20 30 GHEDRO C=CC1CC[NH+](CC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000568666151 898020552 /nfs/dbraw/zinc/02/05/52/898020552.db2.gz HRRWQDPGWHDSQM-UHFFFAOYSA-N 1 0 394.515 3.807 20 30 GHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)CSCc3ccc(C#N)cc3)cccc21 ZINC000568697856 898043035 /nfs/dbraw/zinc/04/30/35/898043035.db2.gz YZUNGWLZCFHJBK-IBGZPJMESA-N 1 0 381.501 3.815 20 30 GHEDRO Cn1c(Sc2c(C#N)cnc3c(Cl)cccc32)nnc1C1CC[NH2+]CC1 ZINC000568745674 898079117 /nfs/dbraw/zinc/07/91/17/898079117.db2.gz YZDOGUHEFAQKHE-UHFFFAOYSA-N 1 0 384.896 3.507 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000821987944 898156477 /nfs/dbraw/zinc/15/64/77/898156477.db2.gz IZMZDAGPOKWUMW-UHFFFAOYSA-N 1 0 399.878 3.946 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000106275795 898262846 /nfs/dbraw/zinc/26/28/46/898262846.db2.gz SVQBMQILYYNWCJ-UHFFFAOYSA-N 1 0 386.359 3.693 20 30 GHEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@H]21 ZINC000600000129 898472519 /nfs/dbraw/zinc/47/25/19/898472519.db2.gz OYJCGCMUWANYPS-YRWFTTLQSA-N 1 0 381.863 3.636 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(n4ccnc4)CC3)sc2C1 ZINC000109795674 898597590 /nfs/dbraw/zinc/59/75/90/898597590.db2.gz UQUKUUYQQRTPNM-OAHLLOKOSA-N 1 0 397.548 3.607 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)sc2c1CCCCC2 ZINC000569436541 898659886 /nfs/dbraw/zinc/65/98/86/898659886.db2.gz BEKMJEAWKYLNRN-CWFSZBLJSA-N 1 0 399.560 3.764 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1c[nH]c3ccccc31)c1ccccc1)C2 ZINC000884051473 898666232 /nfs/dbraw/zinc/66/62/32/898666232.db2.gz HYJNPNXGVAMWCV-LMKYQYBXSA-N 1 0 398.510 3.555 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC3c4ccccc4C1c1ccccc13)C2 ZINC000884057725 898708504 /nfs/dbraw/zinc/70/85/04/898708504.db2.gz PAKJYNMFVBXVFT-DRSRSMRQSA-N 1 0 397.522 3.539 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(C)C ZINC001136650361 898757105 /nfs/dbraw/zinc/75/71/05/898757105.db2.gz XWBVJQUYBKVIMK-MRXNPFEDSA-N 1 0 383.851 3.816 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000155455612 898802336 /nfs/dbraw/zinc/80/23/36/898802336.db2.gz QJLRBQDHKAHPLV-HXUWFJFHSA-N 1 0 389.421 3.740 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc3ccccc3nc1OC)C2 ZINC001137202553 898840112 /nfs/dbraw/zinc/84/01/12/898840112.db2.gz PGEGJCBLGBIBHY-QHCPKHFHSA-N 1 0 379.504 3.777 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000823148732 898850561 /nfs/dbraw/zinc/85/05/61/898850561.db2.gz STRBYAZXEBMDDQ-UHFFFAOYSA-N 1 0 387.268 3.698 20 30 GHEDRO CCCOc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000113339781 898987562 /nfs/dbraw/zinc/98/75/62/898987562.db2.gz DNGRRHJAYYWDEJ-UHFFFAOYSA-N 1 0 375.476 3.937 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1Sc1ccccc1)C2 ZINC000884128552 899001369 /nfs/dbraw/zinc/00/13/69/899001369.db2.gz HBZWCQHDAVBKQH-DKTYTTGXSA-N 1 0 377.513 3.593 20 30 GHEDRO C=C(C)[C@H](Cc1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1)OCC ZINC000823402475 899013782 /nfs/dbraw/zinc/01/37/82/899013782.db2.gz YXDRYNMDNNXDBN-SFHVURJKSA-N 1 0 375.444 3.530 20 30 GHEDRO C#Cc1cccc(NC(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000043983397 899074615 /nfs/dbraw/zinc/07/46/15/899074615.db2.gz RGBYUVMMLKCDCZ-UHFFFAOYSA-N 1 0 390.531 3.700 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(CC)([NH+]3CCC3)CC2)c1 ZINC000884148963 899085782 /nfs/dbraw/zinc/08/57/82/899085782.db2.gz XREAVXFJITXYNN-LJQANCHMSA-N 1 0 384.524 3.527 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)CC1 ZINC000115114120 899159627 /nfs/dbraw/zinc/15/96/27/899159627.db2.gz MGPLDABADRZWAW-UHFFFAOYSA-N 1 0 395.890 3.876 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)CC1 ZINC000116685317 899297570 /nfs/dbraw/zinc/29/75/70/899297570.db2.gz SDMLRMGTDORVRR-HHHXNRCGSA-N 1 0 386.561 3.552 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@H]3CC(N)=O)sc2C1 ZINC000331973546 899310779 /nfs/dbraw/zinc/31/07/79/899310779.db2.gz RKTOXMYFTWEARS-UONOGXRCSA-N 1 0 388.537 3.853 20 30 GHEDRO N#Cc1cccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1Br ZINC000332492550 899706300 /nfs/dbraw/zinc/70/63/00/899706300.db2.gz CQAOYWZOUZPMIS-UHFFFAOYSA-N 1 0 390.325 3.848 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000119979316 899717461 /nfs/dbraw/zinc/71/74/61/899717461.db2.gz VYOTUVVXAVJXFK-UHFFFAOYSA-N 1 0 378.567 3.864 20 30 GHEDRO C=CCc1cc(CN(CCNC(C)=O)Cc2ccc(C)s2)cc(OC)c1O ZINC000571183394 899766885 /nfs/dbraw/zinc/76/68/85/899766885.db2.gz LIMMPSVQQATDLD-UHFFFAOYSA-N 1 0 388.533 3.638 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc3c(C)cccn13)CC2 ZINC001136958465 899884936 /nfs/dbraw/zinc/88/49/36/899884936.db2.gz SJRKNWAYJPXJBI-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000824887203 899885734 /nfs/dbraw/zinc/88/57/34/899885734.db2.gz RMPCXXKTSOHYNU-MSOLQXFVSA-N 1 0 391.537 3.514 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C#N)c(OC)c2)ccc1OC ZINC000824943202 899899816 /nfs/dbraw/zinc/89/98/16/899899816.db2.gz JKRSBPPDNBXYSS-UHFFFAOYSA-N 1 0 397.475 3.548 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 ZINC000825118971 899991464 /nfs/dbraw/zinc/99/14/64/899991464.db2.gz ZWUIALNJADAPJE-HKBOAZHASA-N 1 0 381.524 3.520 20 30 GHEDRO O=C(c1ccoc1)N1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000121260600 899992393 /nfs/dbraw/zinc/99/23/93/899992393.db2.gz YTLBPXZQYWICBM-UHFFFAOYSA-N 1 0 376.378 3.544 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1)C2 ZINC000884451394 900088423 /nfs/dbraw/zinc/08/84/23/900088423.db2.gz NXYBKJKCVKPHPX-NKCCXGTCSA-N 1 0 395.400 3.647 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000134771865 900116450 /nfs/dbraw/zinc/11/64/50/900116450.db2.gz XLBQMMVGBAZEHH-RTWAWAEBSA-N 1 0 381.451 3.614 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc4[nH]cnc4c3)C[C@@H]2c2ccccc2)C1=O ZINC001137043113 900191310 /nfs/dbraw/zinc/19/13/10/900191310.db2.gz ZPTGUMGUVQZGJT-YKSBVNFPSA-N 1 0 386.499 3.567 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)c1ccccc1 ZINC000844163790 900558268 /nfs/dbraw/zinc/55/82/68/900558268.db2.gz YTNWBTPZWAOGRB-KRWDZBQOSA-N 1 0 378.472 3.894 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(COCC(F)(F)F)c2)c1 ZINC000136899504 900768826 /nfs/dbraw/zinc/76/88/26/900768826.db2.gz UGYDKPOOXYYBST-UHFFFAOYSA-N 1 0 397.397 3.710 20 30 GHEDRO COCc1cccc(OCC2(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)CCC2)c1 ZINC000844367695 900778676 /nfs/dbraw/zinc/77/86/76/900778676.db2.gz UUTITZWLTQLEPX-QHCPKHFHSA-N 1 0 394.515 3.919 20 30 GHEDRO COc1ccc(C[N@H+](CCc2ccccn2)C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000886183824 900867767 /nfs/dbraw/zinc/86/77/67/900867767.db2.gz OAVTZPBFIAEXCN-OAQYLSRUSA-N 1 0 379.504 3.580 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCSCC#N)C1 ZINC000844459968 900888351 /nfs/dbraw/zinc/88/83/51/900888351.db2.gz MXPGZGYJTNWJQR-KURKYZTESA-N 1 0 397.585 3.560 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066956092 901030244 /nfs/dbraw/zinc/03/02/44/901030244.db2.gz QCLFSYKIVCJNPU-ZACQAIPSSA-N 1 0 390.553 3.702 20 30 GHEDRO COC(=O)Cc1ccc(NN=C(C)c2ccc(OC)c(C[NH+]3CCCC3)c2)cc1 ZINC000844607132 901074265 /nfs/dbraw/zinc/07/42/65/901074265.db2.gz QMPALRTZPIVUEQ-UHFFFAOYSA-N 1 0 395.503 3.843 20 30 GHEDRO COc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000068313090 901082581 /nfs/dbraw/zinc/08/25/81/901082581.db2.gz WPWXGXXCZGNTML-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)NC1(C#N)CCC1 ZINC000575078750 901110445 /nfs/dbraw/zinc/11/04/45/901110445.db2.gz CNWPWYDCHSEKGM-XKQJLSEDSA-N 1 0 379.426 3.882 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C2CC[NH+](Cc3ccc(C#N)cn3)CC2)CC1 ZINC001144160701 901173435 /nfs/dbraw/zinc/17/34/35/901173435.db2.gz RWWTWBGGKJWKIS-UHFFFAOYSA-N 1 0 384.524 3.812 20 30 GHEDRO C#CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000886587489 901179794 /nfs/dbraw/zinc/17/97/94/901179794.db2.gz YHGWQWIDXKDHTN-UHFFFAOYSA-N 1 0 390.487 3.500 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000844711850 901190332 /nfs/dbraw/zinc/19/03/32/901190332.db2.gz BRTXFLSLFMZIHJ-OAQYLSRUSA-N 1 0 398.551 3.512 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Br)cc1C#N)CC(C)C ZINC001144189958 901222497 /nfs/dbraw/zinc/22/24/97/901222497.db2.gz OXMSGLWZUZJWAY-INIZCTEOSA-N 1 0 380.330 3.807 20 30 GHEDRO C=CCC1(O)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000886757382 901256419 /nfs/dbraw/zinc/25/64/19/901256419.db2.gz FJPKRGYTTKJWOQ-UHFFFAOYSA-N 1 0 387.549 3.620 20 30 GHEDRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](C#N)CCC#N ZINC000575672942 901261601 /nfs/dbraw/zinc/26/16/01/901261601.db2.gz SYXWPJPMVANTQL-HIFRSBDPSA-N 1 0 381.261 3.645 20 30 GHEDRO C=CCC1(O)CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000886774729 901266478 /nfs/dbraw/zinc/26/64/78/901266478.db2.gz UKUMHRBUQZRPQQ-UHFFFAOYSA-N 1 0 388.309 3.809 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000047075911 901316253 /nfs/dbraw/zinc/31/62/53/901316253.db2.gz CUKJLIUMLGZFDZ-UHFFFAOYSA-N 1 0 393.487 3.960 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1C#N ZINC001171151944 901328615 /nfs/dbraw/zinc/32/86/15/901328615.db2.gz WGNXMZILLPXQRD-SZMVHAFZSA-N 1 0 376.382 3.944 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000575817598 901333879 /nfs/dbraw/zinc/33/38/79/901333879.db2.gz AXTIPDKMPOYTFW-UHFFFAOYSA-N 1 0 397.542 3.896 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000575875342 901416296 /nfs/dbraw/zinc/41/62/96/901416296.db2.gz YZOKPOMEOKRQJV-LAUBAEHRSA-N 1 0 387.549 3.549 20 30 GHEDRO N#CCc1ccc(CS(=O)(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000575922775 901478360 /nfs/dbraw/zinc/47/83/60/901478360.db2.gz IDMLNCHGMVIUMT-UHFFFAOYSA-N 1 0 397.544 3.723 20 30 GHEDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000844909252 901568436 /nfs/dbraw/zinc/56/84/36/901568436.db2.gz MAUWOGFOADCWFE-INIZCTEOSA-N 1 0 382.533 3.953 20 30 GHEDRO CC1(C(=O)OCc2ccc(C#N)cc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000845149910 901854122 /nfs/dbraw/zinc/85/41/22/901854122.db2.gz RDNUKBLQWUSIRH-UHFFFAOYSA-N 1 0 393.443 3.812 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001171179509 902095849 /nfs/dbraw/zinc/09/58/49/902095849.db2.gz SPYHBJCENCIEAH-LLBVYWAGSA-N 1 0 399.535 3.637 20 30 GHEDRO COC(=O)c1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)ccc1OC(F)F ZINC001171182316 902173807 /nfs/dbraw/zinc/17/38/07/902173807.db2.gz JMPHRNYCFGYNKB-UHFFFAOYSA-N 1 0 386.354 3.970 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F ZINC001171183604 902177455 /nfs/dbraw/zinc/17/74/55/902177455.db2.gz GSBKUNLEXAXCNV-AYOQOUSVSA-N 1 0 375.488 3.674 20 30 GHEDRO C=C(C)CONC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000845613032 902292741 /nfs/dbraw/zinc/29/27/41/902292741.db2.gz TYIMVWAOPWVNSF-UHFFFAOYSA-N 1 0 396.329 3.563 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(F)c1 ZINC001144520667 902298518 /nfs/dbraw/zinc/29/85/18/902298518.db2.gz YCFXSSVXKUCCLH-HXUWFJFHSA-N 1 0 377.463 3.616 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3csc(Br)c3)CC2)cc1 ZINC000047717443 902331244 /nfs/dbraw/zinc/33/12/44/902331244.db2.gz YKVMVIOMCWPOPR-UHFFFAOYSA-N 1 0 376.323 3.700 20 30 GHEDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000576898132 902342143 /nfs/dbraw/zinc/34/21/43/902342143.db2.gz OLMFWDQSVOZLPG-IBGZPJMESA-N 1 0 378.476 3.692 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000127039103 902410587 /nfs/dbraw/zinc/41/05/87/902410587.db2.gz RJNVXEWSHJVIOU-LJQANCHMSA-N 1 0 375.472 3.908 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000778977663 902431323 /nfs/dbraw/zinc/43/13/23/902431323.db2.gz RQXZZXYDGKFKHI-HUUCEWRRSA-N 1 0 393.915 3.977 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001171201621 902496688 /nfs/dbraw/zinc/49/66/88/902496688.db2.gz ORPYSMGTZYEYEO-AUSIDOKSSA-N 1 0 375.516 3.703 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)cc1 ZINC000846054858 902640911 /nfs/dbraw/zinc/64/09/11/902640911.db2.gz DOKUVGWXNFIHEN-JXXFODFXSA-N 1 0 380.492 3.939 20 30 GHEDRO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000846055084 902642243 /nfs/dbraw/zinc/64/22/43/902642243.db2.gz GFGPCVHYBYQOLV-UWJYYQICSA-N 1 0 393.535 3.998 20 30 GHEDRO C=C(C)Cn1c(CC)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000577314521 902672853 /nfs/dbraw/zinc/67/28/53/902672853.db2.gz JZGJOLINSDJUPS-QHCPKHFHSA-N 1 0 379.552 3.909 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001171218318 902776608 /nfs/dbraw/zinc/77/66/08/902776608.db2.gz UNWLETPNLPBOAP-IBGZPJMESA-N 1 0 375.520 3.662 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001171218286 902776624 /nfs/dbraw/zinc/77/66/24/902776624.db2.gz UHMBDIKKQYYZJM-SFHVURJKSA-N 1 0 396.560 3.565 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)COc3ccccc3C#N)s2)cs1 ZINC000600715761 902839116 /nfs/dbraw/zinc/83/91/16/902839116.db2.gz VIJGLICZKZLDHO-HNNXBMFYSA-N 1 0 385.514 3.581 20 30 GHEDRO CC[C@H](CC#N)[NH2+]CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000577528075 902849199 /nfs/dbraw/zinc/84/91/99/902849199.db2.gz SWWZOCUJCILYCP-TZIWHRDSSA-N 1 0 385.533 3.687 20 30 GHEDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)s2)cc1 ZINC000600729755 902851931 /nfs/dbraw/zinc/85/19/31/902851931.db2.gz MURYCCFBDSGORC-QGZVFWFLSA-N 1 0 386.517 3.585 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000129802029 902855708 /nfs/dbraw/zinc/85/57/08/902855708.db2.gz XAWAUAWEVNPXEX-UHFFFAOYSA-N 1 0 387.455 3.946 20 30 GHEDRO CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600735617 902857804 /nfs/dbraw/zinc/85/78/04/902857804.db2.gz OMVDLXMWCHTEKT-IBGZPJMESA-N 1 0 382.504 3.788 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000600735770 902859309 /nfs/dbraw/zinc/85/93/09/902859309.db2.gz VFUJWBWXBDUHQK-SFHVURJKSA-N 1 0 390.405 3.638 20 30 GHEDRO C=CCCCCCCCCC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001144798079 902937114 /nfs/dbraw/zinc/93/71/14/902937114.db2.gz AFEDAHQOUQKZEN-UHFFFAOYSA-N 1 0 399.579 3.930 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000048227667 903155965 /nfs/dbraw/zinc/15/59/65/903155965.db2.gz UCGVMGYHQHURJP-UHFFFAOYSA-N 1 0 381.545 3.948 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000846820054 903241193 /nfs/dbraw/zinc/24/11/93/903241193.db2.gz AHBTXTDQUIKTSM-GOSISDBHSA-N 1 0 376.504 3.517 20 30 GHEDRO N#CCc1ccccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000601029029 903245313 /nfs/dbraw/zinc/24/53/13/903245313.db2.gz FVXWKOCBNLFVAD-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1CCCC[C@H]1C ZINC000601184951 903439489 /nfs/dbraw/zinc/43/94/89/903439489.db2.gz ZBQQXDPNNFNTTO-RTBURBONSA-N 1 0 376.504 3.866 20 30 GHEDRO CC1CCN(c2cncc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)n2)CC1 ZINC001171275509 903475225 /nfs/dbraw/zinc/47/52/25/903475225.db2.gz XABQBBMISDRRTI-UHFFFAOYSA-N 1 0 390.535 3.683 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccc(C)cc2)s1 ZINC000134216611 903481226 /nfs/dbraw/zinc/48/12/26/903481226.db2.gz VRXHWHBLTFCTIQ-INIZCTEOSA-O 1 0 389.566 3.750 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000578067433 903490895 /nfs/dbraw/zinc/49/08/95/903490895.db2.gz OOLYGSKMPKOLMD-NRFANRHFSA-N 1 0 379.479 3.810 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001146420124 903534680 /nfs/dbraw/zinc/53/46/80/903534680.db2.gz BEEYRJLXHKEZFA-IBGZPJMESA-N 1 0 395.588 3.816 20 30 GHEDRO CCC(=O)NCc1cccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171277934 903559935 /nfs/dbraw/zinc/55/99/35/903559935.db2.gz YPJYDKYGOGCLHO-UHFFFAOYSA-N 1 0 376.504 3.683 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)o2)cc1 ZINC000134812947 903574854 /nfs/dbraw/zinc/57/48/54/903574854.db2.gz GVRPPLLHDSLVRH-PMACEKPBSA-N 1 0 392.434 3.835 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCCO1 ZINC000578210569 903615889 /nfs/dbraw/zinc/61/58/89/903615889.db2.gz OJKWNKKQAQNUIV-YJBOKZPZSA-N 1 0 389.565 3.820 20 30 GHEDRO CN(c1nc(C(F)(F)F)ccc1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000265278878 903773439 /nfs/dbraw/zinc/77/34/39/903773439.db2.gz VZNJIKLXQUWGMU-UHFFFAOYSA-N 1 0 389.425 3.510 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000772983408 903850964 /nfs/dbraw/zinc/85/09/64/903850964.db2.gz HONBNLDKQQINGM-WMLDXEAASA-N 1 0 390.480 3.761 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147975497 903923911 /nfs/dbraw/zinc/92/39/11/903923911.db2.gz JAHHJNOSHSVRBF-SFHVURJKSA-N 1 0 379.504 3.776 20 30 GHEDRO COc1ccc(C[NH2+]CCCc2nc3ccccc3n2C)cc1OCCCC#N ZINC000265534236 903945642 /nfs/dbraw/zinc/94/56/42/903945642.db2.gz JQCPFOXRBYDTBN-UHFFFAOYSA-N 1 0 392.503 3.987 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(SC2CCCC2)cc1 ZINC000772984902 903979204 /nfs/dbraw/zinc/97/92/04/903979204.db2.gz PAJCJBSYAYSTRD-WGLILOHCSA-N 1 0 385.533 3.898 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(-c2ccccc2)n1 ZINC000151419589 904128169 /nfs/dbraw/zinc/12/81/69/904128169.db2.gz FQOHZSUSCDYYTQ-PZJWPPBQSA-N 1 0 382.533 3.608 20 30 GHEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000578965153 904262913 /nfs/dbraw/zinc/26/29/13/904262913.db2.gz JXKHWPIVSGDOLY-OAQYLSRUSA-N 1 0 392.503 3.890 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000889229942 904506069 /nfs/dbraw/zinc/50/60/69/904506069.db2.gz LQTXRUQCEAUYTE-KSSFIOAISA-N 1 0 387.846 3.560 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)n(C2CC[NH+](C)CC2)n1 ZINC000579346918 904531676 /nfs/dbraw/zinc/53/16/76/904531676.db2.gz YYHRXDYJPVWPKR-INIZCTEOSA-N 1 0 380.496 3.555 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000036875811 904542675 /nfs/dbraw/zinc/54/26/75/904542675.db2.gz RHXMJOVHUGOMPA-ACUNGTFPSA-N 1 0 392.499 3.664 20 30 GHEDRO [NH2+]=C(NCCCc1nc2ccccc2[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104171586 904547608 /nfs/dbraw/zinc/54/76/08/904547608.db2.gz IULPDDDZUFNURK-UHFFFAOYSA-N 1 0 377.370 3.821 20 30 GHEDRO COC(=O)C1(Nc2cccc(CC#N)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC001171506669 904782471 /nfs/dbraw/zinc/78/24/71/904782471.db2.gz IOSGUWZFHOXRIK-UHFFFAOYSA-N 1 0 381.451 3.511 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCC([NH2+]C4CCC4)CC3)c2)c1 ZINC000889832792 904788439 /nfs/dbraw/zinc/78/84/39/904788439.db2.gz QEXUEIKYWKJZIH-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C=CCCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000889934268 904848273 /nfs/dbraw/zinc/84/82/73/904848273.db2.gz OZNZADYKAXDMTB-ACIOBRDBSA-N 1 0 398.595 3.751 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171728484 904955508 /nfs/dbraw/zinc/95/55/08/904955508.db2.gz OHAKKKBLMLZHFR-PTUXOGIPSA-N 1 0 378.516 3.580 20 30 GHEDRO C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](Cc2ccccc2)C1 ZINC001171735566 905019950 /nfs/dbraw/zinc/01/99/50/905019950.db2.gz UYBISCXNTVABIM-FQEVSTJZSA-N 1 0 388.433 3.795 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1 ZINC001171841918 905092218 /nfs/dbraw/zinc/09/22/18/905092218.db2.gz UZQMITVCDLRPGC-AWEZNQCLSA-N 1 0 393.413 3.513 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000173820386 905135989 /nfs/dbraw/zinc/13/59/89/905135989.db2.gz LWAJUSLBSKDISV-QGZVFWFLSA-N 1 0 383.517 3.584 20 30 GHEDRO CCOC(=O)C1(C)CCC([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001171944588 905195926 /nfs/dbraw/zinc/19/59/26/905195926.db2.gz TXLGEMVLOZVLQN-UHFFFAOYSA-N 1 0 383.536 3.624 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1)C(=O)NO ZINC001172051322 905272079 /nfs/dbraw/zinc/27/20/79/905272079.db2.gz GNRHDEUOSULJPP-BBWFWOEESA-N 1 0 397.560 3.599 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172305667 905459529 /nfs/dbraw/zinc/45/95/29/905459529.db2.gz TWLYMTAGGZLIOL-GOSISDBHSA-N 1 0 390.531 3.857 20 30 GHEDRO COC(=O)c1ccc(OC2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172306130 905461110 /nfs/dbraw/zinc/46/11/10/905461110.db2.gz IQOKGAGQRRQCKM-QGZVFWFLSA-N 1 0 378.472 3.819 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001172309957 905467018 /nfs/dbraw/zinc/46/70/18/905467018.db2.gz CRMOGNAYDBUKHT-LAUBAEHRSA-N 1 0 382.529 3.772 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001172309257 905467256 /nfs/dbraw/zinc/46/72/56/905467256.db2.gz SAMWQJPPFZBUIP-YFXJRYMSSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001172309561 905467755 /nfs/dbraw/zinc/46/77/55/905467755.db2.gz ULONAFIBURAEHX-CVDCTZTESA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC001172300119 905484184 /nfs/dbraw/zinc/48/41/84/905484184.db2.gz RASCFEXPUWACPJ-NSISKUIASA-N 1 0 379.479 3.959 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)CC[NH2+][C@@H](C)Cc3ccc(C#N)cc3)ccc12 ZINC001172298926 905484292 /nfs/dbraw/zinc/48/42/92/905484292.db2.gz IJXCXQCXQXNFPF-INIZCTEOSA-N 1 0 389.455 3.523 20 30 GHEDRO COc1ccc(F)c(CN2CCC([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172298809 905484557 /nfs/dbraw/zinc/48/45/57/905484557.db2.gz HRNBJQGJLRLBMC-KRWDZBQOSA-N 1 0 381.495 3.891 20 30 GHEDRO N#CCSc1cccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000365775462 921151967 /nfs/dbraw/zinc/15/19/67/921151967.db2.gz XCZBJGHMOGZZTI-RTWAWAEBSA-N 1 0 391.540 3.896 20 30 GHEDRO CCCCCCC[C@@H](CC)N(C1CC[NH2+]CC1)S(=O)(=O)c1ccccn1 ZINC001172361807 905528226 /nfs/dbraw/zinc/52/82/26/905528226.db2.gz OIMRWFKEVLPAKX-GOSISDBHSA-N 1 0 381.586 3.963 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)CCOCC(C)C)CC2 ZINC001172466298 905576725 /nfs/dbraw/zinc/57/67/25/905576725.db2.gz KKIPAPGXBKSQOL-GOSISDBHSA-N 1 0 375.557 3.805 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC001172491745 905595992 /nfs/dbraw/zinc/59/59/92/905595992.db2.gz OYONDTGTRICJBF-RYUDHWBXSA-N 1 0 395.381 3.811 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001172488359 905596418 /nfs/dbraw/zinc/59/64/18/905596418.db2.gz LXHROBDMAUJCDC-AWEZNQCLSA-N 1 0 378.314 3.726 20 30 GHEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001172501601 905600137 /nfs/dbraw/zinc/60/01/37/905600137.db2.gz DHFPIGCYVBQFKO-LJQANCHMSA-N 1 0 395.613 3.935 20 30 GHEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001172505672 905601475 /nfs/dbraw/zinc/60/14/75/905601475.db2.gz RPEMZHHSPVBIJM-PMACEKPBSA-N 1 0 382.589 3.902 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C(=O)C3)C2)cc1 ZINC001172689413 905740784 /nfs/dbraw/zinc/74/07/84/905740784.db2.gz VRVVTQJRJMFOOF-GGAORHGYSA-N 1 0 389.499 3.593 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)ccc1Oc1ccccc1 ZINC000190130829 905792878 /nfs/dbraw/zinc/79/28/78/905792878.db2.gz CJWPIYGNLZOOSP-OAQYLSRUSA-N 1 0 391.471 3.932 20 30 GHEDRO CC(C)(C)OC(=O)CN1CCC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001172895084 905981417 /nfs/dbraw/zinc/98/14/17/905981417.db2.gz JJADCIPGFHWPDC-UHFFFAOYSA-N 1 0 397.563 3.619 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CCO2 ZINC001172964097 906024684 /nfs/dbraw/zinc/02/46/84/906024684.db2.gz LORQWSDSPZIUNW-NNMXDRDESA-N 1 0 396.572 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)C[C@H]1C#N ZINC001172969923 906031395 /nfs/dbraw/zinc/03/13/95/906031395.db2.gz ZGCPIRPJVXXANO-STQMWFEESA-N 1 0 385.842 3.999 20 30 GHEDRO OC[C@H]1CN(Cc2cccc(F)c2OCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000628272761 906034747 /nfs/dbraw/zinc/03/47/47/906034747.db2.gz XUCGFMZQRFIYCX-VXGBXAGGSA-N 1 0 389.311 3.760 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@H]1C#N ZINC001172978137 906043858 /nfs/dbraw/zinc/04/38/58/906043858.db2.gz MMDUGKXMWHCBIC-UXHICEINSA-N 1 0 399.535 3.616 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2cccc(Cl)c2F)C[C@H]1C#N ZINC001172977423 906043995 /nfs/dbraw/zinc/04/39/95/906043995.db2.gz FYKUGXOGJZCYSH-CABCVRRESA-N 1 0 381.879 3.903 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C2 ZINC001172960124 906069199 /nfs/dbraw/zinc/06/91/99/906069199.db2.gz VZIGOGWQJLGRMD-PGRDOPGGSA-N 1 0 393.572 3.665 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCOC[C@@H]2C2CCCCC2)C[C@H]1C#N ZINC001172993758 906103373 /nfs/dbraw/zinc/10/33/73/906103373.db2.gz PRGKKTHXAXSBNK-CEXWTWQISA-N 1 0 377.529 3.559 20 30 GHEDRO CCCOC1CCC([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001173098558 906150473 /nfs/dbraw/zinc/15/04/73/906150473.db2.gz NNPBUUDHCZKGKF-IRSIHTCSSA-N 1 0 381.520 3.725 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCc4ncsc4C3)CC2)C1 ZINC001173129078 906210534 /nfs/dbraw/zinc/21/05/34/906210534.db2.gz IXBYWGWUOKCZRZ-INIZCTEOSA-N 1 0 375.538 3.501 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCc4ncsc4C3)C2)CC1 ZINC001173129820 906210588 /nfs/dbraw/zinc/21/05/88/906210588.db2.gz OOLCMAZXTAQPCU-MRXNPFEDSA-N 1 0 375.538 3.501 20 30 GHEDRO C=CCOC1CCC([N@@H+](C2COC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001173326965 906374107 /nfs/dbraw/zinc/37/41/07/906374107.db2.gz XKNYCEGXIGEXRJ-UHFFFAOYSA-N 1 0 394.556 3.601 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](C3CCC(CC#N)CC3)CC2)C1 ZINC001173330999 906375080 /nfs/dbraw/zinc/37/50/80/906375080.db2.gz JGPRCYSSPDACMY-UHFFFAOYSA-N 1 0 377.529 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCn2cnc(C[NH2+]C3CCC(CC#N)CC3)c2C1 ZINC001173330800 906375140 /nfs/dbraw/zinc/37/51/40/906375140.db2.gz WEXXZNUCJYLEBM-UHFFFAOYSA-N 1 0 387.528 3.586 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCN(C2CC[NH+](C3CCC(CC#N)CC3)CC2)C1 ZINC001173341514 906381563 /nfs/dbraw/zinc/38/15/63/906381563.db2.gz YGCZNGZTKOKBLY-JLAWEPINSA-N 1 0 390.572 3.522 20 30 GHEDRO Cc1cccc2c1[C@H]([NH2+]C1CCN(C(=O)c3ccc(C#N)cc3)CC1)CCO2 ZINC001173420750 906433555 /nfs/dbraw/zinc/43/35/55/906433555.db2.gz FMGCUORBBUNVLD-HXUWFJFHSA-N 1 0 375.472 3.585 20 30 GHEDRO N#Cc1ccc2c(c1)C[N@H+](C1CCN(C(=O)c3ccc(Cl)cc3)CC1)CC2 ZINC001173415895 906445608 /nfs/dbraw/zinc/44/56/08/906445608.db2.gz MGQYJCMSBAQHJY-UHFFFAOYSA-N 1 0 379.891 3.875 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001173421550 906456045 /nfs/dbraw/zinc/45/60/45/906456045.db2.gz WWCRURDFXRZSJU-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC001173421254 906456703 /nfs/dbraw/zinc/45/67/03/906456703.db2.gz ROCNDXLAOZSARW-UHFFFAOYSA-N 1 0 385.414 3.554 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(Br)c3)CC2)cc1 ZINC001173423075 906457895 /nfs/dbraw/zinc/45/78/95/906457895.db2.gz DJBXJQZKOKERDG-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426750 906463166 /nfs/dbraw/zinc/46/31/66/906463166.db2.gz LMAXEBXLYNSHRA-QFIPXVFZSA-N 1 0 388.515 3.772 20 30 GHEDRO COc1ccccc1[C@@H](C)[N@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433672 906468220 /nfs/dbraw/zinc/46/82/20/906468220.db2.gz UKCFEMDIYVHDJI-QGZVFWFLSA-N 1 0 377.488 3.864 20 30 GHEDRO CC1(C)CCC2(CC[NH+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)CC2)O1 ZINC001173434125 906469999 /nfs/dbraw/zinc/46/99/99/906469999.db2.gz FGNUKIIOSKGKLC-UHFFFAOYSA-N 1 0 381.520 3.586 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH+]3CCC(C#Cc4ccccc4)CC3)CC2)cc1 ZINC001173434018 906470394 /nfs/dbraw/zinc/47/03/94/906470394.db2.gz CRFKKOKUOVTVKH-UHFFFAOYSA-N 1 0 397.522 3.927 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000179628079 906545486 /nfs/dbraw/zinc/54/54/86/906545486.db2.gz ZKJOPTMMINWQSN-KRWDZBQOSA-N 1 0 381.476 3.610 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@H]2Cc3ccc(I)cc3C2)CC1 ZINC001173589285 906546419 /nfs/dbraw/zinc/54/64/19/906546419.db2.gz ZXMQONOJZMOVOA-CGZBRXJRSA-N 1 0 380.273 3.820 20 30 GHEDRO COc1cccc(CN2CC[C@]3(CC[N@@H+](C4CCC(C)(C#N)CC4)C3)C2=O)c1 ZINC001173594401 906546576 /nfs/dbraw/zinc/54/65/76/906546576.db2.gz BUBRZFMHFMGSMO-ZUEZHPSSSA-N 1 0 381.520 3.592 20 30 GHEDRO COCCC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173597394 906550426 /nfs/dbraw/zinc/55/04/26/906550426.db2.gz RPCLQAZIDIECLW-IDYZSHNDSA-N 1 0 379.545 3.807 20 30 GHEDRO C[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001173596071 906551674 /nfs/dbraw/zinc/55/16/74/906551674.db2.gz ITECAAHJKAMLGI-IACFFUOFSA-N 1 0 396.535 3.752 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700444 906650002 /nfs/dbraw/zinc/65/00/02/906650002.db2.gz IHSZTWSKGSSCMV-JOCHJYFZSA-N 1 0 378.516 3.795 20 30 GHEDRO C[NH+]1CCC(C#N)(N[C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173703510 906653734 /nfs/dbraw/zinc/65/37/34/906653734.db2.gz RLQRJUBCGYKUFJ-JOCHJYFZSA-N 1 0 375.516 3.700 20 30 GHEDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180258478 906729028 /nfs/dbraw/zinc/72/90/28/906729028.db2.gz KGELGJMMAQZZMA-INIZCTEOSA-N 1 0 376.460 3.524 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181301798 906968113 /nfs/dbraw/zinc/96/81/13/906968113.db2.gz HZZIAHDOHVVVHN-KRWDZBQOSA-N 1 0 378.476 3.764 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181468456 907007854 /nfs/dbraw/zinc/00/78/54/907007854.db2.gz MZQKQJXDOUFRSN-BQFCYCMXSA-N 1 0 375.538 3.502 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OCC#N)cc1 ZINC000181562537 907027083 /nfs/dbraw/zinc/02/70/83/907027083.db2.gz UDQGUOXCLOJAPB-INIZCTEOSA-N 1 0 383.467 3.540 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000181571645 907028466 /nfs/dbraw/zinc/02/84/66/907028466.db2.gz DQKPRXCCCMQQRT-WMLDXEAASA-N 1 0 394.393 3.698 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181884821 907094367 /nfs/dbraw/zinc/09/43/67/907094367.db2.gz VZTXKOZNVUKUJT-SJORKVTESA-N 1 0 395.532 3.583 20 30 GHEDRO N#CC1(NC(=O)c2cc3c(ccnc3Cl)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001174599213 907128312 /nfs/dbraw/zinc/12/83/12/907128312.db2.gz AEZDYZUHZTXJIL-UHFFFAOYSA-N 1 0 393.878 3.504 20 30 GHEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C1 ZINC001174891699 907272214 /nfs/dbraw/zinc/27/22/14/907272214.db2.gz VASIEPWDUAUKGG-KNQAVFIVSA-N 1 0 384.545 3.913 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000192087958 907402023 /nfs/dbraw/zinc/40/20/23/907402023.db2.gz DDVDNLBBTNBWDX-YXKWSERDSA-N 1 0 387.842 3.798 20 30 GHEDRO CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175798258 907725789 /nfs/dbraw/zinc/72/57/89/907725789.db2.gz JQXCQQACVWPKGZ-UHFFFAOYSA-N 1 0 392.503 3.835 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC001176274511 908008190 /nfs/dbraw/zinc/00/81/90/908008190.db2.gz YCPASPFWFUBXDV-ZWKOTPCHSA-N 1 0 382.533 3.733 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)[n+]1ccc(C)cc1 ZINC000186962350 908012606 /nfs/dbraw/zinc/01/26/06/908012606.db2.gz KFJPNCDFCSDVEJ-BBWFWOEESA-O 1 0 384.525 3.604 20 30 GHEDRO C=CCc1ccc(OCC(=O)Nc2ccc(C[NH+](C)C)cc2OC)c(OC)c1 ZINC000633371514 908294074 /nfs/dbraw/zinc/29/40/74/908294074.db2.gz BXJFKQOVERTLKS-UHFFFAOYSA-N 1 0 384.476 3.511 20 30 GHEDRO CCc1ccc2c(c1)CCN([C@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC001177008409 908360961 /nfs/dbraw/zinc/36/09/61/908360961.db2.gz JSEDNGAWXFFHSV-GOSISDBHSA-N 1 0 391.515 3.951 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1SC ZINC000190607708 908507084 /nfs/dbraw/zinc/50/70/84/908507084.db2.gz FQUDBZCLVKYDER-HNAYVOBHSA-N 1 0 395.528 3.740 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCSc4ccc(F)cc43)C2=O)cc1 ZINC000190613874 908508644 /nfs/dbraw/zinc/50/86/44/908508644.db2.gz GPVHGANLQQXIOY-OALUTQOASA-N 1 0 381.476 3.625 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc(OC)c1O ZINC001177471048 908583647 /nfs/dbraw/zinc/58/36/47/908583647.db2.gz MTQBDIOKPDFEJS-HXUWFJFHSA-N 1 0 396.487 3.537 20 30 GHEDRO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000193728682 908657802 /nfs/dbraw/zinc/65/78/02/908657802.db2.gz ZKGZTKNGCWPREQ-KRWDZBQOSA-N 1 0 395.478 3.570 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634372870 908695439 /nfs/dbraw/zinc/69/54/39/908695439.db2.gz DCDQJOXUVBBXCW-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000192136476 908728946 /nfs/dbraw/zinc/72/89/46/908728946.db2.gz NWVWLZHWDSAABH-GQWLDOHISA-N 1 0 399.441 3.720 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193883231 908779336 /nfs/dbraw/zinc/77/93/36/908779336.db2.gz HUHFYSKWOORYFP-GOSISDBHSA-N 1 0 379.508 3.758 20 30 GHEDRO C[C@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)Oc1ccccc1Br ZINC001177956840 908838365 /nfs/dbraw/zinc/83/83/65/908838365.db2.gz WXHVUJPOXDIRSG-CQSZACIVSA-N 1 0 388.309 3.944 20 30 GHEDRO N#Cc1ccc(CSc2nnc(NC(=O)C3CC[NH+](C4CC4)CC3)s2)cc1 ZINC000195269974 908995020 /nfs/dbraw/zinc/99/50/20/908995020.db2.gz MDEOKOSOIOYGFO-UHFFFAOYSA-N 1 0 399.545 3.515 20 30 GHEDRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1SC ZINC001178462345 909064579 /nfs/dbraw/zinc/06/45/79/909064579.db2.gz BXGOXAQVHXZASA-UHFFFAOYSA-N 1 0 378.501 3.979 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cccc(F)c2OC(F)F)c(-c2ccc(C#N)cc2)n1 ZINC001178463053 909065998 /nfs/dbraw/zinc/06/59/98/909065998.db2.gz MGAGRXSEDFTBHF-UHFFFAOYSA-N 1 0 386.377 3.989 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC001178593708 909115669 /nfs/dbraw/zinc/11/56/69/909115669.db2.gz AIDDREFLZOQXER-GOSISDBHSA-N 1 0 386.289 3.814 20 30 GHEDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1 ZINC000266447476 909167845 /nfs/dbraw/zinc/16/78/45/909167845.db2.gz ILEFZRDENNEFCI-SJORKVTESA-N 1 0 381.476 3.690 20 30 GHEDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000266511571 909201800 /nfs/dbraw/zinc/20/18/00/909201800.db2.gz XOJQWYJILOBQAK-IAGOWNOFSA-N 1 0 381.476 3.690 20 30 GHEDRO CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C(C)(C)C1 ZINC001178860984 909288808 /nfs/dbraw/zinc/28/88/08/909288808.db2.gz PCQQQJNXFGTENY-OAQYLSRUSA-N 1 0 377.488 3.597 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1OC ZINC000267388646 909477125 /nfs/dbraw/zinc/47/71/25/909477125.db2.gz CGEZHDVUPQVMMQ-UWJYYQICSA-N 1 0 383.492 3.907 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)cc1 ZINC000267476944 909518525 /nfs/dbraw/zinc/51/85/25/909518525.db2.gz WYGUXGMXZVGHGD-LJQANCHMSA-N 1 0 398.551 3.696 20 30 GHEDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC001179407239 909528160 /nfs/dbraw/zinc/52/81/60/909528160.db2.gz XHBRVLCYWDNMAA-HSZRJFAPSA-N 1 0 385.515 3.631 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC001179559307 909594805 /nfs/dbraw/zinc/59/48/05/909594805.db2.gz DWZVNNYMJSVLFF-GXTWGEPZSA-N 1 0 377.204 3.910 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000795330675 909937236 /nfs/dbraw/zinc/93/72/36/909937236.db2.gz AZPAIMCFNZLZLA-IRLDBZIGSA-N 1 0 382.454 3.680 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl)C2 ZINC001274443819 910016801 /nfs/dbraw/zinc/01/68/01/910016801.db2.gz JNFQAIMQPPLEOB-LIRRHRJNSA-N 1 0 380.319 3.935 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000246038863 910056767 /nfs/dbraw/zinc/05/67/67/910056767.db2.gz RHLDWZFZXJFQQE-VEXUSMLFSA-N 1 0 393.531 3.747 20 30 GHEDRO C=CCN1CCC([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638523705 910170638 /nfs/dbraw/zinc/17/06/38/910170638.db2.gz DNHGRGMQNYQKJC-VQTJNVASSA-N 1 0 392.385 3.824 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270687490 910661439 /nfs/dbraw/zinc/66/14/39/910661439.db2.gz VOZIUILUUOOAFM-PXNSSMCTSA-N 1 0 385.870 3.968 20 30 GHEDRO N#Cc1cccc(NC(=O)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001202783142 910707787 /nfs/dbraw/zinc/70/77/87/910707787.db2.gz IFZVIYWEIZRUQD-QFIPXVFZSA-N 1 0 378.451 3.970 20 30 GHEDRO Cc1cccc(N(C(=O)CC2(C#N)CCCCC2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001181346378 910740009 /nfs/dbraw/zinc/74/00/09/910740009.db2.gz QLVPIZWEHOHCLS-NZQKXSOJSA-N 1 0 381.520 3.713 20 30 GHEDRO CS(=O)(=O)Cc1ccccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271094136 910779521 /nfs/dbraw/zinc/77/95/21/910779521.db2.gz XUWGROIKYYFQHK-UHFFFAOYSA-N 1 0 382.529 3.725 20 30 GHEDRO C#CCN(Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)Cc1ccccc1 ZINC001181638710 910865506 /nfs/dbraw/zinc/86/55/06/910865506.db2.gz UZZXQBQDSLDBGG-UHFFFAOYSA-N 1 0 381.476 3.644 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CCO)c2ccccc2)sc2c1CCCC2 ZINC000271644114 911000011 /nfs/dbraw/zinc/00/00/11/911000011.db2.gz HVABKIPFRRDWAP-SFHVURJKSA-N 1 0 383.517 3.540 20 30 GHEDRO C[NH+](C)CCOc1ccccc1-c1noc(CSc2ccc(C#N)cc2)n1 ZINC000273976948 911152439 /nfs/dbraw/zinc/15/24/39/911152439.db2.gz VTWTXNIIICAUMH-UHFFFAOYSA-N 1 0 380.473 3.841 20 30 GHEDRO CCc1ccccc1[C@H](C[NH2+]Cc1cccc(C#N)n1)NC(=O)OC(C)(C)C ZINC001182184929 911230206 /nfs/dbraw/zinc/23/02/06/911230206.db2.gz WCYNEMPCGSENJU-FQEVSTJZSA-N 1 0 380.492 3.871 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000366484100 921645433 /nfs/dbraw/zinc/64/54/33/921645433.db2.gz ZYWLNBRDFGDDEI-VQIMIIECSA-N 1 0 385.508 3.857 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1OCCCC#N ZINC000274303072 911297946 /nfs/dbraw/zinc/29/79/46/911297946.db2.gz SUDXNXRPSNSMEY-WINIVTDRSA-N 1 0 386.517 3.587 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000366492709 921650413 /nfs/dbraw/zinc/65/04/13/921650413.db2.gz VMFRDSDSXBYCJV-OXQOHEQNSA-N 1 0 375.538 3.768 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000274420559 911331081 /nfs/dbraw/zinc/33/10/81/911331081.db2.gz LBNJEDYKFISYMN-INIZCTEOSA-N 1 0 382.430 3.643 20 30 GHEDRO COc1cc2c(cc1NC1CC[NH+](Cc3ccc(C#N)cc3)CC1)NC(=O)CC2 ZINC000274440394 911337372 /nfs/dbraw/zinc/33/73/72/911337372.db2.gz XGJQUSHZBMZWJI-UHFFFAOYSA-N 1 0 390.487 3.528 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC2(C)CC2)cc1 ZINC000283943764 911699576 /nfs/dbraw/zinc/69/95/76/911699576.db2.gz FMMITWWNRWAMDY-UHFFFAOYSA-O 1 0 384.481 3.580 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000092704695 911724059 /nfs/dbraw/zinc/72/40/59/911724059.db2.gz BZIGPNWDIZQSIV-FQEVSTJZSA-N 1 0 395.482 3.572 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000774485163 911791948 /nfs/dbraw/zinc/79/19/48/911791948.db2.gz SBXLTQQKGHVUBP-KBPBESRZSA-N 1 0 382.533 3.852 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3ccc(CC#N)cc3)cc2)CC1 ZINC000284614286 911951196 /nfs/dbraw/zinc/95/11/96/911951196.db2.gz SDWUTJWSCPJTTH-UHFFFAOYSA-N 1 0 378.476 3.547 20 30 GHEDRO C=CCSCC(=O)N1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001273477983 912114348 /nfs/dbraw/zinc/11/43/48/912114348.db2.gz JUXSAWPXWWMRHE-UHFFFAOYSA-N 1 0 378.504 3.953 20 30 GHEDRO N#Cc1ccc(OCC(=O)N2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)cc1 ZINC001182917046 912145229 /nfs/dbraw/zinc/14/52/29/912145229.db2.gz UYQBBIFWRRSQGN-QFIPXVFZSA-N 1 0 389.499 3.593 20 30 GHEDRO C[C@@H]1[C@H](CC(=O)Nc2nnccc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186934720 914882782 /nfs/dbraw/zinc/88/27/82/914882782.db2.gz JOXQSJAFGOIHSN-DYESRHJHSA-N 1 0 397.482 3.787 20 30 GHEDRO CCc1cc(NC(=O)c2ccccc2N2CC[NH+](C)CC2)cc(CC)c1C#N ZINC001186906792 914894279 /nfs/dbraw/zinc/89/42/79/914894279.db2.gz JYQSHNLTMUHSAE-UHFFFAOYSA-N 1 0 376.504 3.687 20 30 GHEDRO C[C@@H]1[C@@H](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186945425 914910167 /nfs/dbraw/zinc/91/01/67/914910167.db2.gz ASKJMVZPQGWLDQ-MNAPGUCWSA-N 1 0 391.490 3.949 20 30 GHEDRO [NH2+]=C(NCCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303696573 915067202 /nfs/dbraw/zinc/06/72/02/915067202.db2.gz FBRSGTZQNGNTAG-UHFFFAOYSA-N 1 0 379.382 3.836 20 30 GHEDRO C#CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3)C2)C1=O ZINC001275590071 915091434 /nfs/dbraw/zinc/09/14/34/915091434.db2.gz RQTOJMVMVTTWTO-NRFANRHFSA-N 1 0 395.300 3.573 20 30 GHEDRO COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CCCC1 ZINC000303774101 915120688 /nfs/dbraw/zinc/12/06/88/915120688.db2.gz FUEUYKRPGVUASV-NRFANRHFSA-N 1 0 378.520 3.748 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2cccs2)N(C)C)c1 ZINC000303792170 915131213 /nfs/dbraw/zinc/13/12/13/915131213.db2.gz YETFOFOSQACZHA-MRXNPFEDSA-N 1 0 376.526 3.575 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1nncn1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000303879613 915238131 /nfs/dbraw/zinc/23/81/31/915238131.db2.gz GRZWUROEKOXDMQ-GFCCVEGCSA-N 1 0 389.290 3.740 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cc(Cl)c3c(c2)OCCO3)cc1Cl ZINC000303886966 915298240 /nfs/dbraw/zinc/29/82/40/915298240.db2.gz KOZWZOYJUHTQHH-UHFFFAOYSA-N 1 0 382.247 3.700 20 30 GHEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000303891360 915299459 /nfs/dbraw/zinc/29/94/59/915299459.db2.gz NCLCDUGFQJUEMC-MRXNPFEDSA-N 1 0 384.377 3.754 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC000303902614 915305162 /nfs/dbraw/zinc/30/51/62/915305162.db2.gz XYIDVJAKKWKHEU-CYBMUJFWSA-N 1 0 396.919 3.722 20 30 GHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC2CCC2)[n+]2ccc(C)cc2)c1C ZINC000292258114 915585531 /nfs/dbraw/zinc/58/55/31/915585531.db2.gz FJGAMIUBOOLQEP-UHFFFAOYSA-O 1 0 384.525 3.511 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(=S)NC2CCC2)cc1 ZINC000292391050 915651732 /nfs/dbraw/zinc/65/17/32/915651732.db2.gz VRVBPLHCXLCBJW-UHFFFAOYSA-O 1 0 398.552 3.765 20 30 GHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)CCCc2ccccc2)CC1 ZINC000304761385 915699337 /nfs/dbraw/zinc/69/93/37/915699337.db2.gz UJRVLGOXHBNNHK-UHFFFAOYSA-N 1 0 388.556 3.561 20 30 GHEDRO CCOC(=O)c1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)o1 ZINC000304770079 915700894 /nfs/dbraw/zinc/70/08/94/915700894.db2.gz BAUISQFXFXGTJR-SNVBAGLBSA-N 1 0 384.263 3.929 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1c(F)cccc1N1CC[NH+](C)CC1 ZINC001188017895 915710217 /nfs/dbraw/zinc/71/02/17/915710217.db2.gz JKHLOSCDOXEPJO-UHFFFAOYSA-N 1 0 385.549 3.680 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c(OC[C@H]2CCOC2)c1 ZINC000304940020 915792673 /nfs/dbraw/zinc/79/26/73/915792673.db2.gz MVIACHKZFIGSKB-KRWDZBQOSA-N 1 0 379.504 3.826 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C[C@H](C)O)c2ccccc2)c1 ZINC000304998935 915818630 /nfs/dbraw/zinc/81/86/30/915818630.db2.gz AUCAVSZPNXQODA-WMZOPIPTSA-N 1 0 385.508 3.765 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c(C#N)c1C ZINC000292971952 915928172 /nfs/dbraw/zinc/92/81/72/915928172.db2.gz MKFXIBOSHYMZAL-ZIAGYGMSSA-N 1 0 395.438 3.771 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)C1 ZINC000293449389 916207970 /nfs/dbraw/zinc/20/79/70/916207970.db2.gz VTIPMZWLKCJQAI-QFIPXVFZSA-N 1 0 376.460 3.910 20 30 GHEDRO COc1cc(Br)c(CNC(=[NH2+])NC2CCCCCC2)cc1OC ZINC000305748571 916325275 /nfs/dbraw/zinc/32/52/75/916325275.db2.gz VSHZKCKHACBACD-UHFFFAOYSA-N 1 0 384.318 3.593 20 30 GHEDRO CC1CCC2(CC1)OC[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)O2 ZINC000305830111 916462143 /nfs/dbraw/zinc/46/21/43/916462143.db2.gz OJTXHVPVIMEUHM-UIORMTCPSA-N 1 0 387.402 3.634 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC001189253115 916497411 /nfs/dbraw/zinc/49/74/11/916497411.db2.gz GDEJSDLMURWUHR-HNNXBMFYSA-N 1 0 391.364 3.970 20 30 GHEDRO COC(=O)c1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)nc1C1CC1 ZINC000305885166 916544597 /nfs/dbraw/zinc/54/45/97/916544597.db2.gz XMEOIRDYYZFZQD-UHFFFAOYSA-N 1 0 378.476 3.551 20 30 GHEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775355754 917136816 /nfs/dbraw/zinc/13/68/16/917136816.db2.gz OFQUIQWOEQLHBQ-KRWDZBQOSA-N 1 0 397.494 3.778 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](c1ccccc1)C1CCOCC1)c1ccccc1 ZINC000362258277 917171002 /nfs/dbraw/zinc/17/10/02/917171002.db2.gz QWBJDUBGBZYPMM-HSZRJFAPSA-N 1 0 377.488 3.691 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775400500 917435620 /nfs/dbraw/zinc/43/56/20/917435620.db2.gz KJBJHIHILOAKCN-LJQANCHMSA-N 1 0 390.405 3.555 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2)CC1 ZINC000295749735 917465525 /nfs/dbraw/zinc/46/55/25/917465525.db2.gz GYHVKOOJIOXQPC-QHCPKHFHSA-N 1 0 380.536 3.877 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000775403713 917487875 /nfs/dbraw/zinc/48/78/75/917487875.db2.gz IHHOAUSDUDMLCW-GOSISDBHSA-N 1 0 376.378 3.556 20 30 GHEDRO C=CCC1(S(=O)(=O)N2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)CC1 ZINC001190783571 917562174 /nfs/dbraw/zinc/56/21/74/917562174.db2.gz KLSSCBMHWWRSIO-UHFFFAOYSA-N 1 0 394.606 3.865 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000796472871 917601398 /nfs/dbraw/zinc/60/13/98/917601398.db2.gz ZAWYJPLTCVFXTR-KUHUBIRLSA-N 1 0 389.293 3.737 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000295948901 917648409 /nfs/dbraw/zinc/64/84/09/917648409.db2.gz JVFAFRJJHSFJAG-HXUWFJFHSA-N 1 0 399.514 3.557 20 30 GHEDRO C=CC[C@H]1CC[C@@H](Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)C1 ZINC000651655860 917686645 /nfs/dbraw/zinc/68/66/45/917686645.db2.gz LAPBAELMJADHID-DLBZAZTESA-N 1 0 375.488 3.643 20 30 GHEDRO C#Cc1ccccc1C(=O)N(c1cc(OC)cc2cccnc21)[C@H](C)CCC[NH3+] ZINC001191116453 917765516 /nfs/dbraw/zinc/76/55/16/917765516.db2.gz HIETZBAAIZRJPO-QGZVFWFLSA-N 1 0 387.483 3.999 20 30 GHEDRO CCCCCCCNC(=O)NC1CC[NH+](Cc2cccc(C(=O)OC)c2)CC1 ZINC001191123362 917768893 /nfs/dbraw/zinc/76/88/93/917768893.db2.gz NOZXFSVWZNAPQD-UHFFFAOYSA-N 1 0 389.540 3.707 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000296071279 917819949 /nfs/dbraw/zinc/81/99/49/917819949.db2.gz GPFRKVURCOTDTF-LJQANCHMSA-N 1 0 377.488 3.641 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001275818662 917878770 /nfs/dbraw/zinc/87/87/70/917878770.db2.gz FUZAVSVNLIMRIG-QZTJIDSGSA-N 1 0 385.920 3.662 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001191549850 918067374 /nfs/dbraw/zinc/06/73/74/918067374.db2.gz HMZWODJSQOXNBH-YTFSRNRJSA-N 1 0 394.515 3.666 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(F)c1 ZINC001191928705 918302736 /nfs/dbraw/zinc/30/27/36/918302736.db2.gz ZTWPFDXAIHZQHU-VTAPXXACSA-N 1 0 397.469 3.872 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1 ZINC001191936977 918308384 /nfs/dbraw/zinc/30/83/84/918308384.db2.gz OQNRZZMLNNQDCN-OALUTQOASA-N 1 0 395.453 3.821 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000653640495 918376819 /nfs/dbraw/zinc/37/68/19/918376819.db2.gz NYISVCKFNQYLDO-VQTJNVASSA-N 1 0 391.922 3.960 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001275840076 918394928 /nfs/dbraw/zinc/39/49/28/918394928.db2.gz BTQWBQYXOVOIED-GFOMBABLSA-N 1 0 376.463 3.769 20 30 GHEDRO Cc1nc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)sc1SCC#N ZINC000363582521 918456371 /nfs/dbraw/zinc/45/63/71/918456371.db2.gz IENUZARFENLGBN-UHFFFAOYSA-N 1 0 387.534 3.626 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCc3cc(F)ccc3F)CC2)cc1 ZINC000119700655 919647198 /nfs/dbraw/zinc/64/71/98/919647198.db2.gz FSNMUOZDSFVJLW-UHFFFAOYSA-N 1 0 397.469 3.894 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000119792716 919656054 /nfs/dbraw/zinc/65/60/54/919656054.db2.gz MYPYIHHEMLRGJR-GOSISDBHSA-N 1 0 383.879 3.620 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(C)ccc3Br)C2)C1=O ZINC001275926873 919753673 /nfs/dbraw/zinc/75/36/73/919753673.db2.gz IQWQDLNDBYHJLV-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO C=C[C@H](CC(=O)N1CCC[C@H](N(C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697922 919868466 /nfs/dbraw/zinc/86/84/66/919868466.db2.gz PSGSBBYQKMRMDC-QUCCMNQESA-N 1 0 382.508 3.551 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000364723384 919905821 /nfs/dbraw/zinc/90/58/21/919905821.db2.gz NQUINVQQTJZGLK-QFIPXVFZSA-N 1 0 380.532 3.703 20 30 GHEDRO C[C@]12CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]1C2(F)F ZINC000298327370 920403517 /nfs/dbraw/zinc/40/35/17/920403517.db2.gz RETLGFMHRXRAEN-QAPCUYQASA-N 1 0 379.476 3.804 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000298526321 920631249 /nfs/dbraw/zinc/63/12/49/920631249.db2.gz LUVIZKJYZSNCQY-UHFFFAOYSA-N 1 0 399.564 3.608 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC2CC2)cc1 ZINC000298723694 920850769 /nfs/dbraw/zinc/85/07/69/920850769.db2.gz FLDOSQCDMYHONG-UHFFFAOYSA-O 1 0 398.508 3.834 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000901276906 920969286 /nfs/dbraw/zinc/96/92/86/920969286.db2.gz CTUHFXRZARWTQF-UHFFFAOYSA-N 1 0 376.888 3.635 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000802639283 922279416 /nfs/dbraw/zinc/27/94/16/922279416.db2.gz JJECLCGTEXFQRM-UHFFFAOYSA-N 1 0 382.454 3.558 20 30 GHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000367731763 922286358 /nfs/dbraw/zinc/28/63/58/922286358.db2.gz YAEGLZILTAHIQJ-SFHVURJKSA-N 1 0 380.467 3.532 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(C#N)ccn1 ZINC000902837543 922543844 /nfs/dbraw/zinc/54/38/44/922543844.db2.gz ZBJPOCUKWMKVAL-SMDDNHRTSA-N 1 0 395.816 3.950 20 30 GHEDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903011375 922708152 /nfs/dbraw/zinc/70/81/52/922708152.db2.gz DORSEPKTWINPLF-HOCLYGCPSA-N 1 0 388.309 3.526 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)csc1=Nc1ccccc1C#N ZINC000803182006 922756254 /nfs/dbraw/zinc/75/62/54/922756254.db2.gz RZVQNUOQDVBWQI-MRXNPFEDSA-N 1 0 392.532 3.841 20 30 GHEDRO C=CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccncc1 ZINC000903098516 922770478 /nfs/dbraw/zinc/77/04/78/922770478.db2.gz PWGLETPYZLSBMF-GBESFXJTSA-N 1 0 387.524 3.751 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000368787460 922874082 /nfs/dbraw/zinc/87/40/82/922874082.db2.gz WDGXYYRFXBNAJA-FUHWJXTLSA-N 1 0 387.549 3.768 20 30 GHEDRO CC(C)(C)c1cnc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000369329466 923281958 /nfs/dbraw/zinc/28/19/58/923281958.db2.gz GXTUUVLOTXAGPR-UHFFFAOYSA-N 1 0 394.519 3.579 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(O)c1 ZINC000748285063 923549068 /nfs/dbraw/zinc/54/90/68/923549068.db2.gz GXMJYAVCOODJNQ-XHFXOGKZSA-N 1 0 397.519 3.953 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000370041708 923822241 /nfs/dbraw/zinc/82/22/41/923822241.db2.gz RUPFIUYTMURODE-UHFFFAOYSA-N 1 0 393.516 3.944 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000370074001 923843495 /nfs/dbraw/zinc/84/34/95/923843495.db2.gz SKVGXOGESIMIPN-FQEVSTJZSA-N 1 0 385.471 3.913 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)NCc2ccc(C#N)cc2)ccc1OC ZINC000749004845 923970872 /nfs/dbraw/zinc/97/08/72/923970872.db2.gz SPISYOWJCOUORP-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO Cn1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000370257755 923989401 /nfs/dbraw/zinc/98/94/01/923989401.db2.gz XZYUSUMZEILHAX-KRWDZBQOSA-N 1 0 379.489 3.672 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1 ZINC000370675697 924250227 /nfs/dbraw/zinc/25/02/27/924250227.db2.gz DJJPGJPABNQTBZ-KXBFYZLASA-N 1 0 375.900 3.735 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)C2)c(F)c1 ZINC000371609754 924715484 /nfs/dbraw/zinc/71/54/84/924715484.db2.gz XHSZNYCBKXQOKA-KRWDZBQOSA-N 1 0 398.448 3.673 20 30 GHEDRO Cc1ccc(F)c(C[NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)c1Cl ZINC001276078858 925250966 /nfs/dbraw/zinc/25/09/66/925250966.db2.gz SBOXUZBRQKTJDG-UHFFFAOYSA-N 1 0 377.891 3.906 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1=O ZINC000410420284 925635276 /nfs/dbraw/zinc/63/52/76/925635276.db2.gz OOHWSZWTWYVARZ-UTKZUKDTSA-N 1 0 377.488 3.719 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cn2c(n1)CCCC2 ZINC000372990166 925803322 /nfs/dbraw/zinc/80/33/22/925803322.db2.gz NAKLUAMZOHZZHM-INIZCTEOSA-N 1 0 397.548 3.542 20 30 GHEDRO N#C[C@H]1N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCC[C@@]12CCCCO2 ZINC000373374857 926062957 /nfs/dbraw/zinc/06/29/57/926062957.db2.gz CLIDCHBFJJSTBJ-GGAORHGYSA-N 1 0 381.520 3.740 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000827863189 926093461 /nfs/dbraw/zinc/09/34/61/926093461.db2.gz CVEXPIOZVOFQBC-QGZVFWFLSA-N 1 0 388.855 3.556 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc(C#Cc3cccs3)c2)n1 ZINC000682550272 926159692 /nfs/dbraw/zinc/15/96/92/926159692.db2.gz BTFDLLGKVKAUJB-UHFFFAOYSA-N 1 0 379.489 3.550 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3(CCO)CCCCC3)sc2C1 ZINC000411395552 926351538 /nfs/dbraw/zinc/35/15/38/926351538.db2.gz VPLDFYUZUUDLTI-HNNXBMFYSA-N 1 0 389.565 3.748 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000726270919 926616661 /nfs/dbraw/zinc/61/66/61/926616661.db2.gz ISQLZPIIEQSPOY-HXUWFJFHSA-N 1 0 383.467 3.709 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000374000245 926641047 /nfs/dbraw/zinc/64/10/47/926641047.db2.gz VJTXABUZMCJPIZ-UYAOXDASSA-N 1 0 382.533 3.545 20 30 GHEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411686130 926642764 /nfs/dbraw/zinc/64/27/64/926642764.db2.gz CMJRGWYQQHZGHD-QFIPXVFZSA-N 1 0 390.531 3.777 20 30 GHEDRO CCC(CC)[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000726463034 926681913 /nfs/dbraw/zinc/68/19/13/926681913.db2.gz TZDBHFRHTWPPFF-SFHVURJKSA-N 1 0 394.972 3.635 20 30 GHEDRO CCC[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCOC1 ZINC000411724050 926692317 /nfs/dbraw/zinc/69/23/17/926692317.db2.gz XQJRGWVFANNSBB-XOBRGWDASA-N 1 0 375.538 3.622 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000726797643 926857866 /nfs/dbraw/zinc/85/78/66/926857866.db2.gz NONLDMFERGPEAK-INIZCTEOSA-N 1 0 387.505 3.591 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000412081946 927078981 /nfs/dbraw/zinc/07/89/81/927078981.db2.gz WWNMFGPSOMWTCD-OAHLLOKOSA-N 1 0 391.537 3.782 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3csc(Cl)c3)C2)C1=O ZINC001276205236 927361414 /nfs/dbraw/zinc/36/14/14/927361414.db2.gz HCEVUUXUPYAXEW-GHTZIAJQSA-N 1 0 384.932 3.853 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cccc(SCC#N)c2)C1 ZINC000374646637 927374927 /nfs/dbraw/zinc/37/49/27/927374927.db2.gz QPXLMGLLXISYOH-UHFFFAOYSA-N 1 0 395.528 3.684 20 30 GHEDRO N#CC1(NC(=O)c2ccc(OC(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000374867266 927625154 /nfs/dbraw/zinc/62/51/54/927625154.db2.gz ZESUDCATFIRPDN-UHFFFAOYSA-N 1 0 385.414 3.576 20 30 GHEDRO Cc1ccc2c(CN3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000750639183 927772548 /nfs/dbraw/zinc/77/25/48/927772548.db2.gz WEADMDKANNBQSH-NRFANRHFSA-N 1 0 391.446 3.623 20 30 GHEDRO N#CCSCCC[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000374996252 927794455 /nfs/dbraw/zinc/79/44/55/927794455.db2.gz GLGVUQQXXLYNAZ-INIZCTEOSA-N 1 0 385.455 3.605 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000751014086 927982582 /nfs/dbraw/zinc/98/25/82/927982582.db2.gz NHMMPVXHBUQFTH-UHFFFAOYSA-N 1 0 396.516 3.740 20 30 GHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1nc2ccccc2cc1C#N ZINC000751110559 928033886 /nfs/dbraw/zinc/03/38/86/928033886.db2.gz ANWYGNFNHPJFTD-UHFFFAOYSA-N 1 0 391.563 3.739 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCCC2N=Nc2nc3ccccc3c(=O)n2C)C1 ZINC000751521923 928233239 /nfs/dbraw/zinc/23/32/39/928233239.db2.gz RYUOLGKQQQPZDS-JXXFODFXSA-N 1 0 381.524 3.622 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000413352837 928472033 /nfs/dbraw/zinc/47/20/33/928472033.db2.gz CYYACHWEUHPIIR-OAQYLSRUSA-N 1 0 393.535 3.549 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C#N ZINC000752195300 928676070 /nfs/dbraw/zinc/67/60/70/928676070.db2.gz FFTNSKFURLPGJD-UHFFFAOYSA-N 1 0 392.459 3.975 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCC(Oc3ccccc3C#N)CC1)OCO2 ZINC000544700300 929463649 /nfs/dbraw/zinc/46/36/49/929463649.db2.gz KXWANZQCGGDKBM-UHFFFAOYSA-N 1 0 380.444 3.775 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2nc3ccccc3c(=O)[nH]2)c1C ZINC000757583914 929735550 /nfs/dbraw/zinc/73/55/50/929735550.db2.gz ONQMTBNTJCLUAK-GOSISDBHSA-N 1 0 392.507 3.684 20 30 GHEDRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000469293837 929767915 /nfs/dbraw/zinc/76/79/15/929767915.db2.gz WJQLKWDEHNUKAR-KRWDZBQOSA-N 1 0 375.394 3.671 20 30 GHEDRO Cc1ccn(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)c(=O)c1C#N ZINC000758221528 929978448 /nfs/dbraw/zinc/97/84/48/929978448.db2.gz XHKZADBTZMDFCJ-UHFFFAOYSA-N 1 0 379.460 3.550 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000758800022 930170990 /nfs/dbraw/zinc/17/09/90/930170990.db2.gz SGGZQEWIHBEIIS-FCEUIQTBSA-N 1 0 392.503 3.612 20 30 GHEDRO Cc1cc2nc(N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c3ccccc3n2n1 ZINC000759696615 930457041 /nfs/dbraw/zinc/45/70/41/930457041.db2.gz KMSIGKUIOATVQY-UHFFFAOYSA-N 1 0 384.487 3.631 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000470227017 930467836 /nfs/dbraw/zinc/46/78/36/930467836.db2.gz SXYVAVHQTJYDQV-IBGZPJMESA-N 1 0 393.487 3.534 20 30 GHEDRO CS[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1[NH+](C)C ZINC000546837668 930474028 /nfs/dbraw/zinc/47/40/28/930474028.db2.gz ITUBRHWAAYNPBQ-PMACEKPBSA-N 1 0 396.516 3.860 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1Cl ZINC000470368138 930565511 /nfs/dbraw/zinc/56/55/11/930565511.db2.gz XPVMVCCWKUYUIA-SFHVURJKSA-N 1 0 390.959 3.701 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000780742942 930589480 /nfs/dbraw/zinc/58/94/80/930589480.db2.gz OLMHZSMNWVMKTP-UZLBHIALSA-N 1 0 390.462 3.762 20 30 GHEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000547016844 930616382 /nfs/dbraw/zinc/61/63/82/930616382.db2.gz RPDXVFALXRJWHA-PKTZIBPZSA-N 1 0 379.504 3.703 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)c2)c1 ZINC000557842975 931718114 /nfs/dbraw/zinc/71/81/14/931718114.db2.gz DIYASTNNPOONBK-QFIPXVFZSA-N 1 0 392.499 3.955 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(C)CCOCC1 ZINC000925516992 931809272 /nfs/dbraw/zinc/80/92/72/931809272.db2.gz VYFCLLLMBDJUFC-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000558164160 931867297 /nfs/dbraw/zinc/86/72/97/931867297.db2.gz RYUKENMEQNIOAQ-VWNXMTODSA-N 1 0 391.515 3.988 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@H]21 ZINC000784518582 931923026 /nfs/dbraw/zinc/92/30/26/931923026.db2.gz UHTCPTMKBYCEBG-DFQSSKMNSA-N 1 0 385.508 3.562 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558397943 931978404 /nfs/dbraw/zinc/97/84/04/931978404.db2.gz UXYVRANOFMKNTM-GHTZIAJQSA-N 1 0 397.544 3.596 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000558456676 932012179 /nfs/dbraw/zinc/01/21/79/932012179.db2.gz ZQPDETGZLAICGL-LJQANCHMSA-N 1 0 391.519 3.553 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796764894 932059769 /nfs/dbraw/zinc/05/97/69/932059769.db2.gz UWGPGMBVPQUUMK-HXUWFJFHSA-N 1 0 398.551 3.906 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1cccs1 ZINC000558536618 932060879 /nfs/dbraw/zinc/06/08/79/932060879.db2.gz NKOULHCERNOXBB-XLIONFOSSA-N 1 0 394.544 3.991 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796958922 932124052 /nfs/dbraw/zinc/12/40/52/932124052.db2.gz IOVMNEPEWKSDQG-WOJBJXKFSA-N 1 0 398.551 3.953 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000558635109 932129510 /nfs/dbraw/zinc/12/95/10/932129510.db2.gz YTAPKYAEPOBYDU-LEWJYISDSA-N 1 0 375.472 3.555 20 30 GHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSCc1ccc(C#N)cc1 ZINC000797081613 932173758 /nfs/dbraw/zinc/17/37/58/932173758.db2.gz VNMNJRPOFQXYKB-IFMALSPDSA-N 1 0 391.540 3.934 20 30 GHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000926523159 932216548 /nfs/dbraw/zinc/21/65/48/932216548.db2.gz BPWYYXGIJIZTJM-IAGOWNOFSA-N 1 0 391.581 3.533 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000926533554 932219617 /nfs/dbraw/zinc/21/96/17/932219617.db2.gz ROCXSJNDEIHWKU-IKGGRYGDSA-N 1 0 387.528 3.798 20 30 GHEDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926668711 932267404 /nfs/dbraw/zinc/26/74/04/932267404.db2.gz KFWXXRAGNXOLMQ-MSOLQXFVSA-N 1 0 386.540 3.922 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000558880646 932288555 /nfs/dbraw/zinc/28/85/55/932288555.db2.gz XBKKOPSAGVCGQN-QUCCMNQESA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](CCC)CC1 ZINC000559008071 932371026 /nfs/dbraw/zinc/37/10/26/932371026.db2.gz BCNMYIZEPCHJHR-UHFFFAOYSA-N 1 0 376.508 3.601 20 30 GHEDRO CCOC(=O)c1cnc(N=NC2CCC([N@H+](C)Cc3ccccc3)CC2)nc1C ZINC000797786116 932407164 /nfs/dbraw/zinc/40/71/64/932407164.db2.gz HPKAURXFHPEMCZ-UHFFFAOYSA-N 1 0 395.507 3.804 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000798065235 932515885 /nfs/dbraw/zinc/51/58/85/932515885.db2.gz PKHOOHGURDTUOP-SFTDATJTSA-N 1 0 398.551 3.964 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CCOCC1 ZINC000799169330 932896138 /nfs/dbraw/zinc/89/61/38/932896138.db2.gz GIWJFUOBIPWFIV-NRFANRHFSA-N 1 0 399.535 3.725 20 30 GHEDRO COc1cc(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)ccc1C#N ZINC000799734802 933104106 /nfs/dbraw/zinc/10/41/06/933104106.db2.gz FCFFRTPUSVUESM-UHFFFAOYSA-N 1 0 393.487 3.705 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC001115856382 933223191 /nfs/dbraw/zinc/22/31/91/933223191.db2.gz RZNFLWUDRGVYRF-UHFFFAOYSA-N 1 0 397.548 3.944 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000560550779 933334792 /nfs/dbraw/zinc/33/47/92/933334792.db2.gz QDWBWBDOUVXLDW-LPHOPBHVSA-N 1 0 381.442 3.600 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(C#N)c(Cl)c3)c2)CC1 ZINC000777820472 933597769 /nfs/dbraw/zinc/59/77/69/933597769.db2.gz ASLYLEQBHGVAQY-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)CC1CCC(C#N)CC1 ZINC000930344786 933993837 /nfs/dbraw/zinc/99/38/37/933993837.db2.gz OGGHGNRSIJJQCL-UHFFFAOYSA-N 1 0 398.370 3.779 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001118228139 934113381 /nfs/dbraw/zinc/11/33/81/934113381.db2.gz MDDPZEWFOWFAIY-UHFFFAOYSA-N 1 0 383.517 3.884 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@H]1c1ccc(F)cc1 ZINC001119599238 934372241 /nfs/dbraw/zinc/37/22/41/934372241.db2.gz BFHZGVKXFWODAG-RBUKOAKNSA-N 1 0 388.284 3.995 20 30 GHEDRO N#CC1(CCCC[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCC1 ZINC001119763967 934392414 /nfs/dbraw/zinc/39/24/14/934392414.db2.gz RNKPBHROLQFRTD-UHFFFAOYSA-N 1 0 387.475 3.933 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC[C@@H](COC)C1 ZINC001121495978 934673935 /nfs/dbraw/zinc/67/39/35/934673935.db2.gz UJWSJKNFBYHVDK-UYAOXDASSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001121501564 934676413 /nfs/dbraw/zinc/67/64/13/934676413.db2.gz BEGJTPNQVJAHLK-ICSRJNTNSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001121504654 934677061 /nfs/dbraw/zinc/67/70/61/934677061.db2.gz IDSLDNQHBMINIY-MOPGFXCFSA-N 1 0 384.572 3.647 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001121504655 934677207 /nfs/dbraw/zinc/67/72/07/934677207.db2.gz IDSLDNQHBMINIY-OALUTQOASA-N 1 0 384.572 3.647 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001121553584 934695381 /nfs/dbraw/zinc/69/53/81/934695381.db2.gz UDZQKISJRQJRNY-HOTGVXAUSA-N 1 0 396.495 3.546 20 30 GHEDRO C=CCn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001121583288 934706287 /nfs/dbraw/zinc/70/62/87/934706287.db2.gz NEJSGNNVWOHUKM-UHFFFAOYSA-N 1 0 395.555 3.576 20 30 GHEDRO FC1(F)C[C@@]2(CCN(CC[N@@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)C2)C1(F)F ZINC000931912376 934762886 /nfs/dbraw/zinc/76/28/86/934762886.db2.gz BMGUHPCZIKIJBX-VXGBXAGGSA-N 1 0 392.334 3.719 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001121834067 934775682 /nfs/dbraw/zinc/77/56/82/934775682.db2.gz VQLGZIJJEDZEKG-OAQYLSRUSA-N 1 0 382.533 3.673 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000562317065 934818821 /nfs/dbraw/zinc/81/88/21/934818821.db2.gz IWIBQXWPMNAWBP-HSZRJFAPSA-N 1 0 399.498 3.659 20 30 GHEDRO N#CCCCCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccccc1 ZINC001122143556 934831215 /nfs/dbraw/zinc/83/12/15/934831215.db2.gz MVZKHPJXLISOFI-OAQYLSRUSA-N 1 0 392.551 3.627 20 30 GHEDRO C=C(C)Cn1c(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nnc1C(C)(C)F ZINC001122482785 934879799 /nfs/dbraw/zinc/87/97/99/934879799.db2.gz LCJIPIPOPOPTQQ-UHFFFAOYSA-N 1 0 391.457 3.912 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC2CC1(c1ccccc1)C2 ZINC001122514092 934887093 /nfs/dbraw/zinc/88/70/93/934887093.db2.gz NQUKUQDEVSCGFH-FVRICEFQSA-N 1 0 377.536 3.789 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nnc1[C@]1(C)CCC=CO1 ZINC001122540873 934894348 /nfs/dbraw/zinc/89/43/48/934894348.db2.gz WQOZRSXNDZXPMI-OZIGNCPNSA-N 1 0 385.556 3.560 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001122545371 934895294 /nfs/dbraw/zinc/89/52/94/934895294.db2.gz BLMKHEOMFJRELS-HZPDHXFCSA-N 1 0 395.642 3.889 20 30 GHEDRO CC(C)(C)[NH+]1CCN(c2nnc(C3(C#N)CCCC3)n2Cc2cccs2)CC1 ZINC001122910846 935026516 /nfs/dbraw/zinc/02/65/16/935026516.db2.gz GFNMAWWAGCMCBK-UHFFFAOYSA-N 1 0 398.580 3.644 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CC[NH+](Cc3ccccc3)CC2)n1CC1CC1 ZINC001123415808 935187214 /nfs/dbraw/zinc/18/72/14/935187214.db2.gz VLHQQDLMDLCSRY-SFHVURJKSA-N 1 0 392.551 3.664 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC001125162903 935538633 /nfs/dbraw/zinc/53/86/33/935538633.db2.gz NEVOSHCJORIDDD-FQEVSTJZSA-N 1 0 377.513 3.803 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1F ZINC001137673561 935696226 /nfs/dbraw/zinc/69/62/26/935696226.db2.gz IQYJOPYJSQNKEW-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO COc1ccc(CN2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c1 ZINC001137701929 935732888 /nfs/dbraw/zinc/73/28/88/935732888.db2.gz FLLBHKKMXOFXMH-HSZRJFAPSA-N 1 0 379.479 3.946 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C12CCCC2 ZINC000829629611 935835791 /nfs/dbraw/zinc/83/57/91/935835791.db2.gz IFEABGWBOUJFPA-NSISKUIASA-N 1 0 390.487 3.551 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(N2CCNC2=O)cc1 ZINC000829740180 935854434 /nfs/dbraw/zinc/85/44/34/935854434.db2.gz URSXIJZHRXCXIE-CQSZACIVSA-N 1 0 384.867 3.623 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)cc1 ZINC001137902852 935856644 /nfs/dbraw/zinc/85/66/44/935856644.db2.gz VEMBMLHVMAMJSK-UHFFFAOYSA-N 1 0 378.495 3.944 20 30 GHEDRO COCC[N@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CCN(C)CC1 ZINC001137902713 935856799 /nfs/dbraw/zinc/85/67/99/935856799.db2.gz PFGFUGAYMZJVNP-UHFFFAOYSA-N 1 0 392.547 3.869 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)cc1 ZINC001137903958 935857708 /nfs/dbraw/zinc/85/77/08/935857708.db2.gz CVXFNUVFGOBOCP-NFBKMPQASA-N 1 0 388.515 3.769 20 30 GHEDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C[N@@H+]2C1 ZINC001625927718 1014423582 /nfs/dbraw/zinc/42/35/82/1014423582.db2.gz IALJVKYAZDAQNE-AYBZRNKSSA-N 1 0 376.460 3.804 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc2sc(N(CC)CC)nc2s1 ZINC001626750747 1014438519 /nfs/dbraw/zinc/43/85/19/1014438519.db2.gz GAOHDNJLWLMIII-UHFFFAOYSA-N 1 0 380.583 3.784 20 30 GHEDRO CC(C)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+]1CCC(C)CC1 ZINC000468243856 1015487830 /nfs/dbraw/zinc/48/78/30/1015487830.db2.gz VBAXEJCFGGZTIK-HXUWFJFHSA-N 1 0 380.492 3.700 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCC1 ZINC000545420513 1015859746 /nfs/dbraw/zinc/85/97/46/1015859746.db2.gz LMTVLBSFCRLXHG-UHFFFAOYSA-N 1 0 376.504 3.725 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCSc2c(C)[nH]c3ccccc32)CC1 ZINC001226796717 1032133901 /nfs/dbraw/zinc/13/39/01/1032133901.db2.gz IGUIKMDSHCGJHE-UHFFFAOYSA-N 1 0 386.565 3.908 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1OC ZINC000468826196 1016073972 /nfs/dbraw/zinc/07/39/72/1016073972.db2.gz DKXAVHNAAIGAEU-GOSISDBHSA-N 1 0 382.460 3.898 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469117585 1016512809 /nfs/dbraw/zinc/51/28/09/1016512809.db2.gz VOCXJOCJBJSVGI-IYBDPMFKSA-N 1 0 380.492 3.700 20 30 GHEDRO CCN(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000469129900 1016533086 /nfs/dbraw/zinc/53/30/86/1016533086.db2.gz SVCXHXPXGDTEKC-LEWJYISDSA-N 1 0 381.907 3.928 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccc(F)cn1 ZINC000925284497 1017063944 /nfs/dbraw/zinc/06/39/44/1017063944.db2.gz HQTOEADOFKSQHR-HNNXBMFYSA-N 1 0 376.476 3.630 20 30 GHEDRO N#CC1(NC(=O)c2ccc3cc[nH]c3c2F)CC[NH+](Cc2ccccc2)CC1 ZINC001154956000 1032358628 /nfs/dbraw/zinc/35/86/28/1032358628.db2.gz WWLNWOMGNDACMF-UHFFFAOYSA-N 1 0 376.435 3.595 20 30 GHEDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc3cc(C#N)c(=O)oc3c2)C1 ZINC001227383894 1032397767 /nfs/dbraw/zinc/39/77/67/1032397767.db2.gz UIUVBWBCGMJAFX-BEFAXECRSA-N 1 0 375.428 3.664 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(NC[C@]2(F)CCCC[NH2+]C2)cc1F ZINC001155116394 1032421478 /nfs/dbraw/zinc/42/14/78/1032421478.db2.gz IJNRFWWHUBIQPR-SFHVURJKSA-N 1 0 377.826 3.701 20 30 GHEDRO COc1c(Cl)cnc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1C#N ZINC001227556435 1032463224 /nfs/dbraw/zinc/46/32/24/1032463224.db2.gz FCFPJOOJCVEBPE-HHXXYDBFSA-N 1 0 383.879 3.905 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c12 ZINC001155600877 1032594510 /nfs/dbraw/zinc/59/45/10/1032594510.db2.gz GVRKCGQWLJHZPF-XCLFUZPHSA-N 1 0 388.874 3.778 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155637084 1032615600 /nfs/dbraw/zinc/61/56/00/1032615600.db2.gz SEECZOIDQWXHAR-ADLMAVQZSA-N 1 0 377.275 3.736 20 30 GHEDRO C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001227842473 1032642971 /nfs/dbraw/zinc/64/29/71/1032642971.db2.gz XMXSDARYDWHABQ-STSQHVNTSA-N 1 0 388.515 3.850 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000559011654 1017336781 /nfs/dbraw/zinc/33/67/81/1017336781.db2.gz TZIHMBOOFXMTIK-RXVVDRJESA-N 1 0 395.551 3.686 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cccnc1 ZINC000928828443 1017571370 /nfs/dbraw/zinc/57/13/70/1017571370.db2.gz BEZJYOAGQMBGRM-NRFANRHFSA-N 1 0 389.503 3.763 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000560497727 1017645281 /nfs/dbraw/zinc/64/52/81/1017645281.db2.gz CPTFNSJHZFJGNS-SBHAEUEKSA-N 1 0 395.890 3.655 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(N(C(=O)C(F)(F)F)c3cccnc3)CC2)c1 ZINC000931002916 1017912893 /nfs/dbraw/zinc/91/28/93/1017912893.db2.gz TUSHZZLSSOZAHB-UHFFFAOYSA-N 1 0 388.393 3.513 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000931488062 1017990668 /nfs/dbraw/zinc/99/06/68/1017990668.db2.gz MQQOHBWDMNKZEU-QGZVFWFLSA-N 1 0 393.491 3.941 20 30 GHEDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932166685 1018125828 /nfs/dbraw/zinc/12/58/28/1018125828.db2.gz ZQVWPTQSNDXQJC-IAGOWNOFSA-N 1 0 378.476 3.503 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3OC)CC2)cc1 ZINC001204302787 1032744704 /nfs/dbraw/zinc/74/47/04/1032744704.db2.gz TWVJMIYMBVRACB-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO CCCCCCCCOc1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)cc1 ZINC001204311371 1032753543 /nfs/dbraw/zinc/75/35/43/1032753543.db2.gz CPENNAGWMMIACR-UHFFFAOYSA-N 1 0 388.552 3.907 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(c3nc(-c4ccncc4)cs3)CC2)CCC1 ZINC000932556745 1018452612 /nfs/dbraw/zinc/45/26/12/1018452612.db2.gz SYXXXNXYXZRJAJ-SFHVURJKSA-N 1 0 382.533 3.829 20 30 GHEDRO CSCC1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000932591350 1018500578 /nfs/dbraw/zinc/50/05/78/1018500578.db2.gz NTJICODIDZEXIV-OAHLLOKOSA-N 1 0 377.579 3.952 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932623079 1018539513 /nfs/dbraw/zinc/53/95/13/1018539513.db2.gz ZFMXDWOMFCGOFM-UHFFFAOYSA-N 1 0 386.546 3.773 20 30 GHEDRO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932707474 1018597363 /nfs/dbraw/zinc/59/73/63/1018597363.db2.gz KDBYVOUPKXVNPB-QZTJIDSGSA-N 1 0 379.545 3.570 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]CCOc3ccccc3C#N)CCN2C2CC2)c1 ZINC000562755862 1018606399 /nfs/dbraw/zinc/60/63/99/1018606399.db2.gz OQAOPAYPKIOKKV-GMAHTHKFSA-N 1 0 377.488 3.513 20 30 GHEDRO C/C(=C/C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000778114907 1018616156 /nfs/dbraw/zinc/61/61/56/1018616156.db2.gz QQYADDHLMSOBAQ-JXAWBTAJSA-N 1 0 377.463 3.904 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](CCO[C@H]3CCCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932951040 1018782296 /nfs/dbraw/zinc/78/22/96/1018782296.db2.gz TXZDLDPNVPWAOS-AXFHLTTASA-N 1 0 397.306 3.632 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000562932122 1018886869 /nfs/dbraw/zinc/88/68/69/1018886869.db2.gz BDWMTIPTCZAMFX-RXVVDRJESA-N 1 0 394.544 3.816 20 30 GHEDRO N#Cc1ccccc1C[NH+]1CCC2(CC1)C(=O)Nc1ccc(Br)cc12 ZINC001204373406 1032814269 /nfs/dbraw/zinc/81/42/69/1032814269.db2.gz SBYCPXOYJKVJFZ-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cn(C(C)=O)c3ccccc13)C2 ZINC001204404052 1032826306 /nfs/dbraw/zinc/82/63/06/1032826306.db2.gz CGQMUTVEODJTJP-QHCPKHFHSA-N 1 0 379.504 3.835 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)c1ccco1 ZINC001228192843 1032832868 /nfs/dbraw/zinc/83/28/68/1032832868.db2.gz ZLTXNWKOEINYDA-QFBILLFUSA-N 1 0 382.508 3.901 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC1(C#N)CC1 ZINC000569419520 1019487607 /nfs/dbraw/zinc/48/76/07/1019487607.db2.gz QCZZKNDTDYOSRD-UHFFFAOYSA-N 1 0 383.323 3.760 20 30 GHEDRO C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000569917658 1019536598 /nfs/dbraw/zinc/53/65/98/1019536598.db2.gz ZJOBMMQGVYTYBV-CYFREDJKSA-N 1 0 388.515 3.540 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1F ZINC000570423505 1019605631 /nfs/dbraw/zinc/60/56/31/1019605631.db2.gz PIXSPRUFRMVRSY-HOTGVXAUSA-N 1 0 380.423 3.563 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCC#Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000573627646 1019834505 /nfs/dbraw/zinc/83/45/05/1019834505.db2.gz LAHDHAWBCSHOIA-CVDCTZTESA-N 1 0 393.506 3.872 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)sc2c1CCCC2 ZINC000579105557 1020387103 /nfs/dbraw/zinc/38/71/03/1020387103.db2.gz DKDURRFVQWCSNB-YJBOKZPZSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1Cl ZINC000579540887 1020419078 /nfs/dbraw/zinc/41/90/78/1020419078.db2.gz BWKAKHTWKJRUOF-QUCCMNQESA-N 1 0 379.891 3.806 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(CC#N)cc1 ZINC001277292659 1032903930 /nfs/dbraw/zinc/90/39/30/1032903930.db2.gz AFRCXUNWAURVBX-LJQANCHMSA-N 1 0 391.515 3.936 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ncc(Br)cc3C)CC2)C1=O ZINC001277299765 1032935284 /nfs/dbraw/zinc/93/52/84/1032935284.db2.gz AQOOQTLSQFZDIT-IBGZPJMESA-N 1 0 392.341 3.543 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCc2cc(Cl)ccc2OC(F)F)cc1OC ZINC000304748566 1021153902 /nfs/dbraw/zinc/15/39/02/1021153902.db2.gz WCVBDMJAEREGQO-UHFFFAOYSA-N 1 0 399.825 3.563 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1snnc1C ZINC000901425334 1021404775 /nfs/dbraw/zinc/40/47/75/1021404775.db2.gz PXJVAKXUOINKBU-CQSZACIVSA-N 1 0 378.571 3.506 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000802007737 1021464586 /nfs/dbraw/zinc/46/45/86/1021464586.db2.gz CRGFNWJGOQJMCO-QFIPXVFZSA-N 1 0 385.508 3.660 20 30 GHEDRO COc1cc(COC(=O)[C@H](C(C)C)[NH+](C)C)ccc1OCc1cccc(C#N)c1 ZINC000803492423 1021603320 /nfs/dbraw/zinc/60/33/20/1021603320.db2.gz DGQVFVMEANZJJY-QFIPXVFZSA-N 1 0 396.487 3.775 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnc3ccc(Cl)cn13)C2 ZINC001140427654 1021677745 /nfs/dbraw/zinc/67/77/45/1021677745.db2.gz DVHORVHCMMSLME-AZUAARDMSA-N 1 0 375.900 3.561 20 30 GHEDRO S=C(NN=C1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]12)Nc1cccnc1 ZINC000834921933 1021689844 /nfs/dbraw/zinc/68/98/44/1021689844.db2.gz KRRISEXHIVAUSY-AZUAARDMSA-N 1 0 379.533 3.799 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140439119 1021709698 /nfs/dbraw/zinc/70/96/98/1021709698.db2.gz YHIZDMARUSZDOI-GOSISDBHSA-N 1 0 382.508 3.822 20 30 GHEDRO COC(=O)CC[N@H+](Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)C1CC1 ZINC001140441470 1021716683 /nfs/dbraw/zinc/71/66/83/1021716683.db2.gz RCUMAHRJVXFVHH-UHFFFAOYSA-N 1 0 397.475 3.824 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(Br)cc1C#N ZINC001140513561 1021903264 /nfs/dbraw/zinc/90/32/64/1021903264.db2.gz AXKMDUHCFRCJRD-UHFFFAOYSA-N 1 0 392.341 3.588 20 30 GHEDRO Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC001228625488 1033015607 /nfs/dbraw/zinc/01/56/07/1033015607.db2.gz AWJJWBZCPBWMEF-XLIONFOSSA-N 1 0 382.533 3.811 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(Cl)ncc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140606410 1022059242 /nfs/dbraw/zinc/05/92/42/1022059242.db2.gz HEPVIJOGKMVRNL-GCJKJVERSA-N 1 0 399.897 3.878 20 30 GHEDRO CC(C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001140617177 1022081655 /nfs/dbraw/zinc/08/16/55/1022081655.db2.gz GGXAPLPFZDNLHP-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)C2 ZINC001140628643 1022107779 /nfs/dbraw/zinc/10/77/79/1022107779.db2.gz ZFCRFNJBSVZMBA-UYAOXDASSA-N 1 0 383.435 3.567 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc3c(cccc3Br)[nH]2)C1 ZINC001228681826 1033040587 /nfs/dbraw/zinc/04/05/87/1033040587.db2.gz LXPSQCYYKCUUML-HNNXBMFYSA-N 1 0 397.276 3.850 20 30 GHEDRO N#Cc1c(F)cc(C[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)cc1F ZINC001140754784 1022439890 /nfs/dbraw/zinc/43/98/90/1022439890.db2.gz LGWCUKQEDOAOII-NHCUHLMSSA-N 1 0 397.425 3.822 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1Cl ZINC001140810441 1022597425 /nfs/dbraw/zinc/59/74/25/1022597425.db2.gz AGDASCDMWMXUEV-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754320451 1022618302 /nfs/dbraw/zinc/61/83/02/1022618302.db2.gz SXKLTPINFAYXOU-PKOBYXMFSA-N 1 0 387.524 3.952 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000754373330 1022650707 /nfs/dbraw/zinc/65/07/07/1022650707.db2.gz HTLBAWVYDUDWPG-KXBFYZLASA-N 1 0 382.533 3.768 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c(O)c1 ZINC001140949982 1022971424 /nfs/dbraw/zinc/97/14/24/1022971424.db2.gz PMAPJHIIVXDUCS-XMMPIXPASA-N 1 0 391.515 3.691 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000836610936 1023167766 /nfs/dbraw/zinc/16/77/66/1023167766.db2.gz ITRCENHBWUMQSB-GHTZIAJQSA-N 1 0 397.544 3.642 20 30 GHEDRO Cc1nc(C#Cc2ccnc(N[C@H]3CC[N@@H+](C)C3)c2)c(C)n1-c1ccc(F)cc1 ZINC001156580199 1033113289 /nfs/dbraw/zinc/11/32/89/1033113289.db2.gz GJZAKEXYTWUHMV-FQEVSTJZSA-N 1 0 389.478 3.539 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc4cccc(O)c4n3)C2)C1 ZINC001141020024 1023229140 /nfs/dbraw/zinc/22/91/40/1023229140.db2.gz WLTLNLSWZOPECB-JOCHJYFZSA-N 1 0 381.476 3.551 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000755982398 1023464829 /nfs/dbraw/zinc/46/48/29/1023464829.db2.gz HJGIOGSUXHFQTF-GOTSBHOMSA-N 1 0 391.515 3.543 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ncc(Cl)nc3Cl)C2)CC1 ZINC001141132608 1023556732 /nfs/dbraw/zinc/55/67/32/1023556732.db2.gz CILNRQNZOVGPEG-UHFFFAOYSA-N 1 0 399.322 3.784 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000756545840 1023708783 /nfs/dbraw/zinc/70/87/83/1023708783.db2.gz ANGYXAHRBKVJOF-CYBMUJFWSA-N 1 0 380.922 3.708 20 30 GHEDRO C#CC[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccccc1 ZINC000756922252 1023867677 /nfs/dbraw/zinc/86/76/77/1023867677.db2.gz NODXRPMBUIEWLC-HXUWFJFHSA-N 1 0 376.504 3.715 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc(F)cc1C#N)CC2 ZINC001141165643 1023995430 /nfs/dbraw/zinc/99/54/30/1023995430.db2.gz FIQJBLNUPYNIGT-HSZRJFAPSA-N 1 0 393.506 3.953 20 30 GHEDRO C[C@H](C#N)OCCN(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000831043129 1024327617 /nfs/dbraw/zinc/32/76/17/1024327617.db2.gz LMDQGRDTDGINSN-CQSZACIVSA-N 1 0 392.272 3.914 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CC4CC3(C(=O)N3CCCC3)C4)cc2)cc1 ZINC001141291649 1024421889 /nfs/dbraw/zinc/42/18/89/1024421889.db2.gz KKEGDTWFWZMUAJ-UHFFFAOYSA-N 1 0 387.483 3.937 20 30 GHEDRO CN1C(=O)CCC12CC[NH+](Cc1ccc(Oc3ccc(C#N)cc3)cc1)CC2 ZINC001141298410 1024443668 /nfs/dbraw/zinc/44/36/68/1024443668.db2.gz QAZVXVNZDKCKMX-UHFFFAOYSA-N 1 0 375.472 3.937 20 30 GHEDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc(C#Cc2ccccc2)cc1 ZINC001141348272 1024653809 /nfs/dbraw/zinc/65/38/09/1024653809.db2.gz YHYNRFLTVOJYNV-RUZDIDTESA-N 1 0 396.490 3.905 20 30 GHEDRO C#CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)C[C@H]2C)cc1OC ZINC001138341726 1024702415 /nfs/dbraw/zinc/70/24/15/1024702415.db2.gz VDYHJVVYPGAPOO-GOSISDBHSA-N 1 0 382.479 3.553 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)cc1OC ZINC001138343753 1024705290 /nfs/dbraw/zinc/70/52/90/1024705290.db2.gz OZMPKJGCRNSMPP-UHFFFAOYSA-N 1 0 393.458 3.967 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)cc1OC ZINC001138347220 1024708021 /nfs/dbraw/zinc/70/80/21/1024708021.db2.gz UXEIYRQSMBATIY-SJLPKXTDSA-N 1 0 388.508 3.585 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@H]2c2ccccc2)cc1OC ZINC001138346634 1024708689 /nfs/dbraw/zinc/70/86/89/1024708689.db2.gz KBAZNZKUICIBMC-RTWAWAEBSA-N 1 0 393.483 3.834 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000831704884 1024762223 /nfs/dbraw/zinc/76/22/23/1024762223.db2.gz PCZONHHXGKJZQX-MSOLQXFVSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c[nH]nc1-c1ccc(C)cc1)CC2 ZINC001138446850 1024867486 /nfs/dbraw/zinc/86/74/86/1024867486.db2.gz MWONTOIAYDFIPI-UHFFFAOYSA-N 1 0 380.492 3.606 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138501760 1024934820 /nfs/dbraw/zinc/93/48/20/1024934820.db2.gz WYQSRTJEIVAWRQ-UHFFFAOYSA-N 1 0 379.479 3.720 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)nn(Cc3ccccc3)c1C)C2 ZINC001138503693 1024938863 /nfs/dbraw/zinc/93/88/63/1024938863.db2.gz CXOVPZXNXFYVMJ-LADGPHEKSA-N 1 0 395.547 3.874 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2ncccc2C#C[Si](C)(C)C)CCC([NH3+])CC1 ZINC001156800857 1033248791 /nfs/dbraw/zinc/24/87/91/1033248791.db2.gz IRMBSFSMRNOKHA-UHFFFAOYSA-N 1 0 387.600 3.704 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccnc1NC(=O)C(C)(C)C)C2 ZINC001138537567 1024979091 /nfs/dbraw/zinc/97/90/91/1024979091.db2.gz GKVSBFQYXIBFQF-HSZRJFAPSA-N 1 0 398.551 3.599 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138556342 1025014872 /nfs/dbraw/zinc/01/48/72/1025014872.db2.gz QGBKNKJXBMVVFN-QHCPKHFHSA-N 1 0 384.520 3.922 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)CC2 ZINC001141428687 1025020423 /nfs/dbraw/zinc/02/04/23/1025020423.db2.gz QVQFADGAVJFDIG-LJQANCHMSA-N 1 0 381.442 3.942 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c(C)s1 ZINC001138569412 1025041416 /nfs/dbraw/zinc/04/14/16/1025041416.db2.gz HXSCAGPOSDFRBL-QFIPXVFZSA-N 1 0 396.560 3.751 20 30 GHEDRO C#C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccc(Br)cc1 ZINC001141461478 1025121373 /nfs/dbraw/zinc/12/13/73/1025121373.db2.gz WMVMJFSZVZBHPC-KRWDZBQOSA-N 1 0 387.277 3.742 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)c1O ZINC001138626546 1025125735 /nfs/dbraw/zinc/12/57/35/1025125735.db2.gz JKPHTNSQUOETEN-DEOSSOPVSA-N 1 0 378.516 3.992 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1O ZINC001138631025 1025134485 /nfs/dbraw/zinc/13/44/85/1025134485.db2.gz IJMZARFSZQPWJY-GOSISDBHSA-N 1 0 380.463 3.880 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnn(CCC)c3C)C[C@@H]2c2ccccc2)C1=O ZINC001138634450 1025138994 /nfs/dbraw/zinc/13/89/94/1025138994.db2.gz CACMZHROQGWDJQ-VWNXMTODSA-N 1 0 392.547 3.606 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000832043128 1025172408 /nfs/dbraw/zinc/17/24/08/1025172408.db2.gz CTUZRCUYZYOMGC-SYYKKAFVSA-N 1 0 377.463 3.728 20 30 GHEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@H]2C1 ZINC001138662232 1025183142 /nfs/dbraw/zinc/18/31/42/1025183142.db2.gz QYBVMNSYSUGYFM-IRLDBZIGSA-N 1 0 394.490 3.871 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138742935 1025282470 /nfs/dbraw/zinc/28/24/70/1025282470.db2.gz JEDYKRBEBYZMBY-TZIWHRDSSA-N 1 0 395.927 3.931 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000832234299 1025361450 /nfs/dbraw/zinc/36/14/50/1025361450.db2.gz LWJMFVBUBSYCDR-UHFFFAOYSA-N 1 0 396.535 3.534 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cc2c(C)cc(C#N)cc2C)CC1 ZINC001141546418 1025465562 /nfs/dbraw/zinc/46/55/62/1025465562.db2.gz QYVZFAUGYCTTGD-UHFFFAOYSA-N 1 0 375.516 3.761 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161988327 1025523187 /nfs/dbraw/zinc/52/31/87/1025523187.db2.gz HLLDXPDOGIRCMG-UHFFFAOYSA-N 1 0 394.828 3.831 20 30 GHEDRO COC(=O)c1cccc(CN(c2cc(Cl)cc(C#N)n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162192487 1025659849 /nfs/dbraw/zinc/65/98/49/1025659849.db2.gz LJMQTQFJWDCZKV-UAPYVXQJSA-N 1 0 398.894 3.670 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)CC1 ZINC001162231468 1025681014 /nfs/dbraw/zinc/68/10/14/1025681014.db2.gz KPSQMDCZPMOSJB-UHFFFAOYSA-N 1 0 395.869 3.911 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1F ZINC000839191105 1025710964 /nfs/dbraw/zinc/71/09/64/1025710964.db2.gz VYEWBVMCARYWOH-UHFFFAOYSA-N 1 0 382.483 3.719 20 30 GHEDRO C[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC001162350341 1025722238 /nfs/dbraw/zinc/72/22/38/1025722238.db2.gz DAYJDKGEWMWEHE-QGZVFWFLSA-N 1 0 385.471 3.999 20 30 GHEDRO COc1ccc([C@H](CNC(=O)/C=C/c2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000832604175 1025760501 /nfs/dbraw/zinc/76/05/01/1025760501.db2.gz VJPUYNNJDCKPGV-UDFXALJUSA-N 1 0 389.499 3.923 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccc(C#N)c3)o2)C1 ZINC001461029529 1069346728 /nfs/dbraw/zinc/34/67/28/1069346728.db2.gz IAXCNNZYWKBTOW-LJQANCHMSA-N 1 0 395.503 3.999 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CCc2nc(C(=O)N3CCCC3)sc2CC1 ZINC001139029024 1025797464 /nfs/dbraw/zinc/79/74/64/1025797464.db2.gz NMJBWOWAIWGTQU-UHFFFAOYSA-N 1 0 397.544 3.545 20 30 GHEDRO Cn1ccc2cc(C[NH+]3CCC(NC(=O)Nc4ccc(C#N)cc4)CC3)ccc21 ZINC001139191410 1026030292 /nfs/dbraw/zinc/03/02/92/1026030292.db2.gz QDKPDULJBBUPNF-UHFFFAOYSA-N 1 0 387.487 3.836 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)c12 ZINC001163135837 1026061831 /nfs/dbraw/zinc/06/18/31/1026061831.db2.gz NFOQSEZCTWSMLX-UHFFFAOYSA-N 1 0 379.895 3.614 20 30 GHEDRO CCOc1ccc(NC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001202913609 1026093404 /nfs/dbraw/zinc/09/34/04/1026093404.db2.gz CTATVCWEFIYAFZ-UHFFFAOYSA-N 1 0 378.476 3.765 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC000839615080 1026116601 /nfs/dbraw/zinc/11/66/01/1026116601.db2.gz SJSXMBMHUHIQAU-RLLQIKCJSA-N 1 0 390.524 3.627 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc([C@@H](C#N)c2ccc(C)cc2)nn1 ZINC001163466228 1026205627 /nfs/dbraw/zinc/20/56/27/1026205627.db2.gz NGEFJQALBOTDKK-NRFANRHFSA-N 1 0 384.487 3.930 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1nc(Cl)ccc1C(=O)NC(C)(C)C ZINC001163471641 1026207530 /nfs/dbraw/zinc/20/75/30/1026207530.db2.gz BSSZKIGZNRWOPP-UHFFFAOYSA-N 1 0 387.915 3.753 20 30 GHEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ncc(Cl)c(C)c1C#N ZINC001163523304 1026223354 /nfs/dbraw/zinc/22/33/54/1026223354.db2.gz JCAWLHFEBWTNHO-YLJYHZDGSA-N 1 0 384.911 3.864 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCc2ccccc21 ZINC001139382573 1026250065 /nfs/dbraw/zinc/25/00/65/1026250065.db2.gz YTGNTYJFDKTGLL-SFYKDHMMSA-N 1 0 375.516 3.818 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH+]3CCC(c4ccc(C#N)cc4)CC3)cn2)C[C@@H](C)O1 ZINC001139387698 1026255225 /nfs/dbraw/zinc/25/52/25/1026255225.db2.gz FRVOUXQRWNHJRP-RTBURBONSA-N 1 0 390.531 3.946 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c3ccccc3[nH]c1C(=O)OC)C2 ZINC001139397816 1026267953 /nfs/dbraw/zinc/26/79/53/1026267953.db2.gz GTCQVZFAZSSGFF-NFBKMPQASA-N 1 0 398.503 3.528 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)cc2)c1 ZINC001139402146 1026273681 /nfs/dbraw/zinc/27/36/81/1026273681.db2.gz MLRVHXXTZYGFPJ-RTWAWAEBSA-N 1 0 380.451 3.788 20 30 GHEDRO CCC[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C1CCN(C(C)=O)CC1 ZINC001139405569 1026277133 /nfs/dbraw/zinc/27/71/33/1026277133.db2.gz UYAFVEDRUGNIEN-UHFFFAOYSA-N 1 0 376.504 3.843 20 30 GHEDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(-c3cc(C#N)ccn3)cc1)CC2 ZINC001139406406 1026278343 /nfs/dbraw/zinc/27/83/43/1026278343.db2.gz RPONMZXDSVPWNN-UHFFFAOYSA-N 1 0 388.515 3.843 20 30 GHEDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)nc1 ZINC001139406606 1026279038 /nfs/dbraw/zinc/27/90/38/1026279038.db2.gz WNTNVOHNWQWVHN-OAQYLSRUSA-N 1 0 386.455 3.677 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1c[nH]c3ncc(C(F)(F)F)cc13)CC2 ZINC001139536903 1026397326 /nfs/dbraw/zinc/39/73/26/1026397326.db2.gz BQUHIHYYEKLEAF-UHFFFAOYSA-N 1 0 392.425 3.725 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@@H]2CF)CC1 ZINC001139646024 1026506613 /nfs/dbraw/zinc/50/66/13/1026506613.db2.gz JMEOYIWSBNNZCO-DLBZAZTESA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC001139649197 1026511220 /nfs/dbraw/zinc/51/12/20/1026511220.db2.gz RGGWRWPEJYHMPI-PKTZIBPZSA-N 1 0 395.478 3.680 20 30 GHEDRO N#CCc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1[N+](=O)[O-] ZINC001164493825 1026531660 /nfs/dbraw/zinc/53/16/60/1026531660.db2.gz YDOAGRQLMFMASK-HLAWJBBLSA-N 1 0 376.460 3.983 20 30 GHEDRO N#CCc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001164499067 1026534955 /nfs/dbraw/zinc/53/49/55/1026534955.db2.gz KYRNWSPDWJPGCP-HSALFYBXSA-N 1 0 376.460 3.983 20 30 GHEDRO N#CCc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164499068 1026535658 /nfs/dbraw/zinc/53/56/58/1026535658.db2.gz KYRNWSPDWJPGCP-SLFFLAALSA-N 1 0 376.460 3.983 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@]4(CC(=O)N(c5ccc(F)cc5)C4)C3)c[nH]c21 ZINC001139701456 1026547110 /nfs/dbraw/zinc/54/71/10/1026547110.db2.gz MEHHWWKXPAHNCN-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001139703414 1026548328 /nfs/dbraw/zinc/54/83/28/1026548328.db2.gz NBJVUYJXPUALRB-VGOFRKELSA-N 1 0 380.492 3.919 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)cc1C#N ZINC001139725699 1026569989 /nfs/dbraw/zinc/56/99/89/1026569989.db2.gz YEMGSZOUCAORFH-BJKOFHAPSA-N 1 0 391.515 3.850 20 30 GHEDRO C[NH+]1CCC(C2CCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)CC2)CC1 ZINC001165065474 1026583978 /nfs/dbraw/zinc/58/39/78/1026583978.db2.gz JMNXDLUKCFDDFJ-HXUWFJFHSA-N 1 0 393.510 3.829 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165086413 1026595882 /nfs/dbraw/zinc/59/58/82/1026595882.db2.gz OWVHTGGSIHUQIQ-YJBOKZPZSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)nc1Cl ZINC001165088660 1026598908 /nfs/dbraw/zinc/59/89/08/1026598908.db2.gz SATRDSXUVVOSPH-SJORKVTESA-N 1 0 388.849 3.862 20 30 GHEDRO CN(CC[NH+]1CCCC1)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001165141334 1026632023 /nfs/dbraw/zinc/63/20/23/1026632023.db2.gz JWFRHQHCWUHWKY-UHFFFAOYSA-N 1 0 391.853 3.746 20 30 GHEDRO CCOC(=O)c1cc(C)nc(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC001165202370 1026664739 /nfs/dbraw/zinc/66/47/39/1026664739.db2.gz UYNAHFVDVWVVTF-ROUUACIJSA-N 1 0 392.503 3.538 20 30 GHEDRO CCOC(=O)c1cc(C)nc(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC001165202371 1026665072 /nfs/dbraw/zinc/66/50/72/1026665072.db2.gz UYNAHFVDVWVVTF-ZWKOTPCHSA-N 1 0 392.503 3.538 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc(F)cc(C#N)c3)C2)C1=O ZINC001139875356 1026691495 /nfs/dbraw/zinc/69/14/95/1026691495.db2.gz ZERSKZMTTXEULH-HSZRJFAPSA-N 1 0 377.463 3.844 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1 ZINC001139875219 1026691691 /nfs/dbraw/zinc/69/16/91/1026691691.db2.gz VYILJKNZGUZYOW-NRFANRHFSA-N 1 0 385.389 3.605 20 30 GHEDRO N#Cc1cc2nc(N(c3cccc(F)c3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc2[nH]1 ZINC001165481911 1026743551 /nfs/dbraw/zinc/74/35/51/1026743551.db2.gz RJKDBTZZWBVCNS-XMSQKQJNSA-N 1 0 391.450 3.623 20 30 GHEDRO Cc1cccc(N(c2nc(C)c(C#N)cc2Cl)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165776509 1026833328 /nfs/dbraw/zinc/83/33/28/1026833328.db2.gz PUAOYZSRMGETAP-RXVVDRJESA-N 1 0 382.895 3.883 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(CC(=O)N(c5ccc(F)cc5)C4)C3)c2c1 ZINC001140111631 1026891839 /nfs/dbraw/zinc/89/18/39/1026891839.db2.gz BIGWEMRHQJZIAF-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001140110662 1026892525 /nfs/dbraw/zinc/89/25/25/1026892525.db2.gz OXHRBHHLXZJKKL-VGOFRKELSA-N 1 0 380.492 3.919 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H]4O[C@@H](COc5cccnc5)CC[C@H]43)c2c1 ZINC001140114153 1026895691 /nfs/dbraw/zinc/89/56/91/1026895691.db2.gz QOLQDXGFEOIOQU-UEVCKROQSA-N 1 0 388.471 3.635 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(C[C@@H](Oc5ccccn5)CO4)C3)c2c1 ZINC001140114351 1026896149 /nfs/dbraw/zinc/89/61/49/1026896149.db2.gz NUXSPIGJNWVHMS-AUSIDOKSSA-N 1 0 388.471 3.637 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c(F)c1 ZINC001140138043 1026912359 /nfs/dbraw/zinc/91/23/59/1026912359.db2.gz DHKMYLAGHOANMS-QRTHJKPMSA-N 1 0 381.426 3.933 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4cc5[nH]ccc5c[nH+]4)C3)C2)c1 ZINC001166451436 1027004896 /nfs/dbraw/zinc/00/48/96/1027004896.db2.gz LSBIUJNPTJNHDJ-HSZRJFAPSA-N 1 0 387.487 3.558 20 30 GHEDRO N#Cc1cccc2c(NC[C@@H](c3ccccc3)[NH+]3CCCC3)nc(Cl)nc12 ZINC001166889338 1027134904 /nfs/dbraw/zinc/13/49/04/1027134904.db2.gz QNUQEAKPCQZWGY-SFHVURJKSA-N 1 0 377.879 3.826 20 30 GHEDRO COc1cc(C#N)cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1OC(C)=O ZINC001166901417 1027142257 /nfs/dbraw/zinc/14/22/57/1027142257.db2.gz PQVGCXHBRROEPY-FQEVSTJZSA-N 1 0 379.460 3.741 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC001203855088 1027662134 /nfs/dbraw/zinc/66/21/34/1027662134.db2.gz RKZPBEIDHJUQNN-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)c2cc(C)ccc21 ZINC001203901284 1027694485 /nfs/dbraw/zinc/69/44/85/1027694485.db2.gz KECLXUWLYHFNKC-JOCHJYFZSA-N 1 0 388.515 3.774 20 30 GHEDRO COc1ccc(CN2CC[C@]3(CCC[N@H+](Cc4ccc(C#N)cc4)C3)C2=O)cc1 ZINC001203902972 1027695836 /nfs/dbraw/zinc/69/58/36/1027695836.db2.gz PJUUHCFLVVTECP-DEOSSOPVSA-N 1 0 389.499 3.582 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1 ZINC001203903554 1027696710 /nfs/dbraw/zinc/69/67/10/1027696710.db2.gz IHHTZXSRKVJZJG-GOTSBHOMSA-N 1 0 377.488 3.541 20 30 GHEDRO O=C(C1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1)N1CCCC1 ZINC001141977679 1027792637 /nfs/dbraw/zinc/79/26/37/1027792637.db2.gz NHLJQNXNUXTVFK-UHFFFAOYSA-N 1 0 378.541 3.982 20 30 GHEDRO CCN(C(=O)c1ccc(C#N)cc1OC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001142069163 1028021979 /nfs/dbraw/zinc/02/19/79/1028021979.db2.gz NTPFQWPIPDCDME-YLJYHZDGSA-N 1 0 377.488 3.864 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(C#N)cc3N)cc2C(F)(F)F)CC1 ZINC001213363995 1028138105 /nfs/dbraw/zinc/13/81/05/1028138105.db2.gz RPLFLXKXJMHNQX-UHFFFAOYSA-N 1 0 389.425 3.650 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001142132381 1028217384 /nfs/dbraw/zinc/21/73/84/1028217384.db2.gz SMJXMGFWPWTSHF-VAWYXSNFSA-N 1 0 376.500 3.762 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1C#N ZINC000841157175 1028226186 /nfs/dbraw/zinc/22/61/86/1028226186.db2.gz XQHHTKYWRIBMBF-HNAYVOBHSA-N 1 0 399.495 3.513 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1OC ZINC001461455606 1069557266 /nfs/dbraw/zinc/55/72/66/1069557266.db2.gz GLJYKOMOUDWOLA-CYBMUJFWSA-N 1 0 384.904 3.916 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC4(C3)CC[NH2+]CC4)c2)s1 ZINC000841830394 1028971105 /nfs/dbraw/zinc/97/11/05/1028971105.db2.gz HYGOQBZRWNOWNK-UHFFFAOYSA-N 1 0 380.517 3.572 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)s1 ZINC000841830895 1028971856 /nfs/dbraw/zinc/97/18/56/1028971856.db2.gz ORKGTZNCFSWCBN-OALUTQOASA-N 1 0 394.544 3.818 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001215438463 1029208755 /nfs/dbraw/zinc/20/87/55/1029208755.db2.gz MSUQOUFUTPBQCV-IBGZPJMESA-N 1 0 393.491 3.987 20 30 GHEDRO C#CC[C@H]1CCCN(Cn2nc([C@H](CC)[NH+](C)C)n(CCCC)c2=S)C1 ZINC000842627306 1029428879 /nfs/dbraw/zinc/42/88/79/1029428879.db2.gz FVHPVKXWHBDAKP-ROUUACIJSA-N 1 0 377.602 3.920 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]21 ZINC001142915697 1029688113 /nfs/dbraw/zinc/68/81/13/1029688113.db2.gz DRAPQVZELMGJIQ-UZLBHIALSA-N 1 0 380.492 3.871 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@H]4O[C@@H](COc5cccnc5)CC[C@H]43)c[nH]c2c1 ZINC001142916922 1029689711 /nfs/dbraw/zinc/68/97/11/1029689711.db2.gz LIIPWJSIULCCIR-UEVCKROQSA-N 1 0 388.471 3.635 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)cc1 ZINC001142925967 1029702546 /nfs/dbraw/zinc/70/25/46/1029702546.db2.gz GSMKOOGKQVFSJY-UHFFFAOYSA-N 1 0 398.470 3.697 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@]4(CC(=O)N(c5cccc(F)c5)C4)C3)c[nH]c2c1 ZINC001142929010 1029710944 /nfs/dbraw/zinc/71/09/44/1029710944.db2.gz SDKIXBQHJZSPMG-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@H](Oc4cc(C(F)(F)F)ncn4)C3)c[nH]c2c1 ZINC001142930579 1029711815 /nfs/dbraw/zinc/71/18/15/1029711815.db2.gz LCBCADXSZLGAOQ-AWEZNQCLSA-N 1 0 387.365 3.502 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(-c4ccccc4)nn3C)C2)C1 ZINC001143004705 1029772841 /nfs/dbraw/zinc/77/28/41/1029772841.db2.gz OSVLPAQCTXTYCE-QHCPKHFHSA-N 1 0 394.519 3.698 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@H]21 ZINC001143170657 1029880754 /nfs/dbraw/zinc/88/07/54/1029880754.db2.gz JEOCCFXFQOKVSP-SFGWALBWSA-N 1 0 396.485 3.964 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4c(F)cc(C#N)cc4Cl)n3)c2)CC1 ZINC001216781124 1029932107 /nfs/dbraw/zinc/93/21/07/1029932107.db2.gz JWCWZTAYZKVKAW-UHFFFAOYSA-N 1 0 397.841 3.820 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3ccc(OCC)c(F)c3F)C2)C1 ZINC001143269105 1029966067 /nfs/dbraw/zinc/96/60/67/1029966067.db2.gz JMSQDDWQJJLSMJ-NRFANRHFSA-N 1 0 394.462 3.974 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4ccc(Cl)c(C#N)c4)n3)cc2)CC1 ZINC001216979188 1030048991 /nfs/dbraw/zinc/04/89/91/1030048991.db2.gz ZQAOGALATAXTQO-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)cc1 ZINC001461625697 1069646140 /nfs/dbraw/zinc/64/61/40/1069646140.db2.gz AYZRIQNWCDYROY-UHFFFAOYSA-N 1 0 380.879 3.819 20 30 GHEDRO C=CCCSCCNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001223345494 1030531057 /nfs/dbraw/zinc/53/10/57/1030531057.db2.gz VHLGBUCLXZHXLU-RUYXUALKSA-N 1 0 375.582 3.752 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2CCC[NH2+]C[C@@H]2F)c(Br)c1 ZINC001217944626 1030679190 /nfs/dbraw/zinc/67/91/90/1030679190.db2.gz IZFQPHNLTOTBBC-RYUDHWBXSA-N 1 0 392.066 3.552 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[NH2+]CC[C@@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001218016112 1030724547 /nfs/dbraw/zinc/72/45/47/1030724547.db2.gz CASANCISZFMOQZ-TYLRKXQCSA-N 1 0 385.435 3.766 20 30 GHEDRO CCCCC/C=C/C(=O)CCc1ccc(O[C@H]2C[NH2+]CCOC2)c(OC)c1 ZINC001218047554 1030741041 /nfs/dbraw/zinc/74/10/41/1030741041.db2.gz SQIUEJWASPIMPE-DUIUGDAFSA-N 1 0 375.509 3.701 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC001151236610 1030817957 /nfs/dbraw/zinc/81/79/57/1030817957.db2.gz LCTWKBBCUUUSRG-UHFFFAOYSA-N 1 0 391.298 3.867 20 30 GHEDRO COc1ccc2c(O[C@@H]3C[NH2+]C[C@@H]3C#N)cc(-c3ccc(F)cc3)nc2c1OC ZINC001218199555 1030821815 /nfs/dbraw/zinc/82/18/15/1030821815.db2.gz FWPMGMVMMHUISS-VBKZILBWSA-N 1 0 393.418 3.548 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)nc2ccc(Br)cc21 ZINC001218201243 1030825624 /nfs/dbraw/zinc/82/56/24/1030825624.db2.gz PSLWLDIBYUXVRD-OQPBUACISA-N 1 0 386.171 3.506 20 30 GHEDRO CC(C)c1cc(Br)c(O[C@H]2C[NH2+]C[C@H]2C#N)c(Br)c1 ZINC001218203994 1030827851 /nfs/dbraw/zinc/82/78/51/1030827851.db2.gz UHGZOEQWKCDQME-MFKMUULPSA-N 1 0 388.103 3.825 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(Br)cc(Br)cc1C(C)=O ZINC001218204917 1030827889 /nfs/dbraw/zinc/82/78/89/1030827889.db2.gz BPJUGJCRGKBXOF-CYBMUJFWSA-N 1 0 389.087 3.711 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)c2c(c1OC)O[C@H](c1ccccc1)CC2=O ZINC001218209239 1030830201 /nfs/dbraw/zinc/83/02/01/1030830201.db2.gz WAJKGUGGMYZLCB-FXAWDEMLSA-N 1 0 395.455 3.707 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001218208434 1030831014 /nfs/dbraw/zinc/83/10/14/1030831014.db2.gz MYYFZEHICNSMMD-UGQVBQEGSA-N 1 0 377.488 3.617 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ncnc2cc(OC)c(OCc3ccccc3)cc21 ZINC001218207802 1030832057 /nfs/dbraw/zinc/83/20/57/1030832057.db2.gz KYAQVSMVLWCCQY-NRFANRHFSA-N 1 0 377.444 3.514 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1C[C@H]2CC[NH2+][C@H]2C1 ZINC001218249627 1030851378 /nfs/dbraw/zinc/85/13/78/1030851378.db2.gz SWZRBJWFGCESAZ-BLIXFSHQSA-N 1 0 387.483 3.634 20 30 GHEDRO C#CCC1(NC(=O)NCc2cccc(C[N@@H+](CC)CCCC)c2)CCOCC1 ZINC001224026045 1030855067 /nfs/dbraw/zinc/85/50/67/1030855067.db2.gz FKCLCRSNAVLYAX-UHFFFAOYSA-N 1 0 385.552 3.680 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c(OC)c1 ZINC001218325433 1030893915 /nfs/dbraw/zinc/89/39/15/1030893915.db2.gz FUBAUSLTSVPMIK-OXPJAHCQSA-N 1 0 385.504 3.804 20 30 GHEDRO C[C@@H]1CC[C@@H](Oc2nnc(Cc3ccc(F)c(C#N)c3)c3ccccc32)C[NH2+]1 ZINC001218397905 1030920005 /nfs/dbraw/zinc/92/00/05/1030920005.db2.gz HTTUUINJUNMTRS-RHSMWYFYSA-N 1 0 376.435 3.751 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2C[NH2+]CCC23CC3)c(Br)c1 ZINC001218400413 1030920845 /nfs/dbraw/zinc/92/08/45/1030920845.db2.gz VSOWVRORSGGDQW-LBPRGKRZSA-N 1 0 386.087 3.604 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001218479351 1030954561 /nfs/dbraw/zinc/95/45/61/1030954561.db2.gz MNFFAEUAXKCQAQ-YGCQMWJKSA-N 1 0 377.488 3.592 20 30 GHEDRO Cc1cccc2[nH]c(C(=O)N(Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)nc21 ZINC001151994559 1031073680 /nfs/dbraw/zinc/07/36/80/1031073680.db2.gz ASQXFNPULNZHAW-WGSAOQKQSA-N 1 0 387.487 3.655 20 30 GHEDRO C#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001224761948 1031106248 /nfs/dbraw/zinc/10/62/48/1031106248.db2.gz JDBDKAJGTQIYGX-TZRRMPRUSA-N 1 0 387.527 3.768 20 30 GHEDRO CCOP(=O)(CCCO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)OCC ZINC001224763018 1031106699 /nfs/dbraw/zinc/10/66/99/1031106699.db2.gz NWYQJBGFVZBPIY-IBGZPJMESA-N 1 0 380.425 3.805 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H](c3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001218840649 1031107269 /nfs/dbraw/zinc/10/72/69/1031107269.db2.gz RMOLUPQCIXJEIC-HOTGVXAUSA-N 1 0 389.377 3.789 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1 ZINC001218846346 1031110834 /nfs/dbraw/zinc/11/08/34/1031110834.db2.gz UGBSZVROJLTWDH-YKSBVNFPSA-N 1 0 396.494 3.703 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC001218858325 1031119319 /nfs/dbraw/zinc/11/93/19/1031119319.db2.gz YKGZIZRRBCEKES-ZDUSSCGKSA-N 1 0 379.794 3.712 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c(Cl)c1 ZINC001277031167 1031333577 /nfs/dbraw/zinc/33/35/77/1031333577.db2.gz VTUINAXPQRVJIG-LJQANCHMSA-N 1 0 381.854 3.681 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)cc1 ZINC001219270334 1031335273 /nfs/dbraw/zinc/33/52/73/1031335273.db2.gz FPNIZDKYTSQKRH-FQEVSTJZSA-N 1 0 381.439 3.610 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)C1 ZINC001219366837 1031380923 /nfs/dbraw/zinc/38/09/23/1031380923.db2.gz MSUVGATZMOQMGZ-KRWDZBQOSA-N 1 0 393.491 3.860 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001219483268 1031450364 /nfs/dbraw/zinc/45/03/64/1031450364.db2.gz SACWSDFZTNXWFV-GOSISDBHSA-N 1 0 385.971 3.780 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(F)cc(C#N)c3)c(C)c2)CC1 ZINC001219799416 1031626311 /nfs/dbraw/zinc/62/63/11/1031626311.db2.gz QQVQCVWRFSKGBV-UHFFFAOYSA-N 1 0 381.455 3.792 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC001153552748 1031644955 /nfs/dbraw/zinc/64/49/55/1031644955.db2.gz KKDCBSSSUXTLAB-UHFFFAOYSA-N 1 0 375.516 3.770 20 30 GHEDRO CN(C(=O)Nc1cc(C#N)c(F)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219883368 1031673355 /nfs/dbraw/zinc/67/33/55/1031673355.db2.gz FVJCYORSNVJNOE-KRWDZBQOSA-N 1 0 384.430 3.965 20 30 GHEDRO Cc1cc(Cl)cc(Cl)c1CNC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220075292 1031772310 /nfs/dbraw/zinc/77/23/10/1031772310.db2.gz HCYBQXUJTDRDIW-INIZCTEOSA-N 1 0 376.287 3.750 20 30 GHEDRO O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1csc2c1CC[NH2+]C2 ZINC001220181612 1031822591 /nfs/dbraw/zinc/82/25/91/1031822591.db2.gz WPVPJTGPPDFRRF-UHFFFAOYSA-N 1 0 386.476 3.888 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1(C(F)(F)F)CCCCC1 ZINC001220247254 1031859130 /nfs/dbraw/zinc/85/91/30/1031859130.db2.gz WWMSZEAOJQPYCT-UHFFFAOYSA-N 1 0 396.457 3.897 20 30 GHEDRO Cc1cccc2c(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccnc12 ZINC001154039087 1031895274 /nfs/dbraw/zinc/89/52/74/1031895274.db2.gz GDXQXXUMDYDBQJ-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO N#Cc1cc(Br)cnc1O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001226285849 1031900333 /nfs/dbraw/zinc/90/03/33/1031900333.db2.gz VWXYDGOPFOLPGX-INIZCTEOSA-N 1 0 390.256 3.898 20 30 GHEDRO C[C@@H](CCNC(=O)c1cccc(CNc2ncccc2C#N)c1)[NH+]1CCCCC1 ZINC001154078437 1031914607 /nfs/dbraw/zinc/91/46/07/1031914607.db2.gz NNCKQSXMCSEHBV-SFHVURJKSA-N 1 0 391.519 3.560 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2c(F)ccc(F)c2C1)C(C)C ZINC001220598547 1032003665 /nfs/dbraw/zinc/00/36/65/1032003665.db2.gz WGHLMFJFNCWKOU-FQEVSTJZSA-N 1 0 377.479 3.731 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC001220615136 1032014374 /nfs/dbraw/zinc/01/43/74/1032014374.db2.gz VOSWGYXAIWTRID-QHCPKHFHSA-N 1 0 377.532 3.785 20 30 GHEDRO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC001220616708 1032016743 /nfs/dbraw/zinc/01/67/43/1032016743.db2.gz KEHKCIGZCPOMOH-OAQYLSRUSA-N 1 0 385.458 3.940 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cc3ccccc3nc2N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001154289627 1032025040 /nfs/dbraw/zinc/02/50/40/1032025040.db2.gz QPUXGUNEDZKUMY-MXVIHJGJSA-N 1 0 399.498 3.601 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2ncc(C#N)c3oc(C(C)(C)C)nc32)cn1 ZINC001205212650 1033307173 /nfs/dbraw/zinc/30/71/73/1033307173.db2.gz VUWSYHOFFIQKSZ-UHFFFAOYSA-N 1 0 379.464 3.784 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)ccc1F ZINC001205467263 1033425339 /nfs/dbraw/zinc/42/53/39/1033425339.db2.gz NRJIWJSFYOXRSZ-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)ccc1F ZINC001205472824 1033428451 /nfs/dbraw/zinc/42/84/51/1033428451.db2.gz JJFDNCKVYPASNY-DHIUTWEWSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1cc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)nc2ccccc12 ZINC001157328270 1033535822 /nfs/dbraw/zinc/53/58/22/1033535822.db2.gz IIUBXXDWMJUMKM-UHFFFAOYSA-N 1 0 380.455 3.940 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC001157389964 1033564320 /nfs/dbraw/zinc/56/43/20/1033564320.db2.gz JPWPYQREHRZNKT-IBGZPJMESA-N 1 0 398.890 3.620 20 30 GHEDRO Cc1nc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c(C#N)cc1-c1ccc2nccn2c1 ZINC001229768649 1033699418 /nfs/dbraw/zinc/69/94/18/1033699418.db2.gz NVOLAPULEPWRFZ-OEWRPIJISA-N 1 0 387.487 3.686 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(C4CCN([C@H]5CC[NH2+]C5)CC4)n3)cc2)cc1 ZINC001206106423 1033722253 /nfs/dbraw/zinc/72/22/53/1033722253.db2.gz KPEIFGUTWIBPQP-QFIPXVFZSA-N 1 0 399.498 3.817 20 30 GHEDRO COc1ccc(OC(F)(F)F)cc1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157697809 1033728000 /nfs/dbraw/zinc/72/80/00/1033728000.db2.gz QPPVEZFJTQZLPN-UHFFFAOYSA-N 1 0 392.381 3.508 20 30 GHEDRO N#Cc1sc(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1Cl ZINC001206144160 1033741036 /nfs/dbraw/zinc/74/10/36/1033741036.db2.gz CZIKSTZQFWRLSD-CQSZACIVSA-N 1 0 389.912 3.844 20 30 GHEDRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206188810 1033758554 /nfs/dbraw/zinc/75/85/54/1033758554.db2.gz VXGNOYFXPAUAAM-OLZOCXBDSA-N 1 0 388.327 3.994 20 30 GHEDRO N#Cc1ccc(-c2noc(C3(Cc4ccccc4Cl)CC[NH2+]CC3)n2)nc1 ZINC001206315860 1033792819 /nfs/dbraw/zinc/79/28/19/1033792819.db2.gz OYNAYXWXUAOKSB-UHFFFAOYSA-N 1 0 379.851 3.521 20 30 GHEDRO CC(C)(C)CN(c1ccc([C@H](C#N)c2ccccc2F)nn1)C1CC[NH2+]CC1 ZINC001157891748 1033813391 /nfs/dbraw/zinc/81/33/91/1033813391.db2.gz PEQXFASAQDZHOU-GOSISDBHSA-N 1 0 381.499 3.876 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)N2CCc3cc(C#N)ccc3C2)cc1 ZINC001157936968 1033827369 /nfs/dbraw/zinc/82/73/69/1033827369.db2.gz LONCUELDQSOLKG-NRFANRHFSA-N 1 0 391.515 3.580 20 30 GHEDRO COc1ccc(CN(c2nc3c(cc2C#N)CCCC3)C2CC[NH2+]CC2)cc1F ZINC001158010067 1033867328 /nfs/dbraw/zinc/86/73/28/1033867328.db2.gz BNLNCNWVQYGTPH-UHFFFAOYSA-N 1 0 394.494 3.738 20 30 GHEDRO N#Cc1ccc2ncnc(N(c3ccc(C(F)(F)F)cn3)C3CC[NH2+]CC3)c2c1 ZINC001158093335 1033912308 /nfs/dbraw/zinc/91/23/08/1033912308.db2.gz BJYXZMBATUTCFD-UHFFFAOYSA-N 1 0 398.392 3.805 20 30 GHEDRO COc1cc(C(F)(F)N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c(C#N)c(Cl)n1 ZINC001158263449 1033992571 /nfs/dbraw/zinc/99/25/71/1033992571.db2.gz DDKOTKRCYASTLN-APPDUMDISA-N 1 0 386.874 3.798 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158271605 1033997007 /nfs/dbraw/zinc/99/70/07/1033997007.db2.gz XSJFFGOLPNVKFN-ORAYPTAESA-N 1 0 378.904 3.739 20 30 GHEDRO C=CCN(CC[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001207203842 1034170283 /nfs/dbraw/zinc/17/02/83/1034170283.db2.gz QEXDCNBPNGLBIG-KRWDZBQOSA-N 1 0 397.560 3.598 20 30 GHEDRO C=CCN(CC[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001207206657 1034174292 /nfs/dbraw/zinc/17/42/92/1034174292.db2.gz XNCQTYJRBCXVKR-QGZVFWFLSA-N 1 0 397.560 3.646 20 30 GHEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001207243409 1034207082 /nfs/dbraw/zinc/20/70/82/1034207082.db2.gz LULYPSLARNMNJL-FOIQADDNSA-N 1 0 381.907 3.706 20 30 GHEDRO CCOC(=O)c1c[nH]c2cc(N3CCC(C#N)(c4ccccc4F)CC3)[nH+]cc21 ZINC001158892412 1034322916 /nfs/dbraw/zinc/32/29/16/1034322916.db2.gz XHXQKFMQBGXGBC-UHFFFAOYSA-N 1 0 392.434 3.940 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCc1ccc(Br)cc1 ZINC001207382921 1034330210 /nfs/dbraw/zinc/33/02/10/1034330210.db2.gz WCKZNKKCNTTZKW-GOSISDBHSA-N 1 0 390.325 3.527 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001277487142 1034377288 /nfs/dbraw/zinc/37/72/88/1034377288.db2.gz FMJKGMYGVQFXLQ-IBGZPJMESA-N 1 0 381.854 3.681 20 30 GHEDRO CC(C)[NH+]1CCC(CCNC(=O)c2cccc(C#N)c2Br)CC1 ZINC001461899796 1069856722 /nfs/dbraw/zinc/85/67/22/1069856722.db2.gz NBUZTIPQGRHMHU-UHFFFAOYSA-N 1 0 378.314 3.561 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](CCc1ccccc1Br)CCC2 ZINC001207528484 1034430540 /nfs/dbraw/zinc/43/05/40/1034430540.db2.gz ALILQPPOOBJYBI-UHFFFAOYSA-N 1 0 390.325 3.797 20 30 GHEDRO N#Cc1cnn(-c2ccc(Br)cc2)c1Nc1cccc2c1CC[NH2+]C2 ZINC001159269129 1034514096 /nfs/dbraw/zinc/51/40/96/1034514096.db2.gz VNKDQAWIRRDFHW-UHFFFAOYSA-N 1 0 394.276 3.896 20 30 GHEDRO N#Cc1cnn(-c2ccccc2Br)c1Nc1cccc2c1CC[NH2+]C2 ZINC001159311433 1034537722 /nfs/dbraw/zinc/53/77/22/1034537722.db2.gz JQOSSRZKNHJMRG-UHFFFAOYSA-N 1 0 394.276 3.896 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001207805669 1034583752 /nfs/dbraw/zinc/58/37/52/1034583752.db2.gz HUTFQKLPUJTOPG-MSOLQXFVSA-N 1 0 379.545 3.712 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001231441396 1034590181 /nfs/dbraw/zinc/59/01/81/1034590181.db2.gz MXCSWVUEAAKRMR-HSZRJFAPSA-N 1 0 390.531 3.941 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CCC[C@@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001207899259 1034644020 /nfs/dbraw/zinc/64/40/20/1034644020.db2.gz SJQCTKSDUHBUPV-RBBKRZOGSA-N 1 0 380.573 3.679 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159538304 1034652511 /nfs/dbraw/zinc/65/25/11/1034652511.db2.gz MTGAXXLWOSUBOD-UHFFFAOYSA-N 1 0 380.870 3.885 20 30 GHEDRO N#Cc1cc2c(nc1N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1)CCOC2 ZINC001159561596 1034664564 /nfs/dbraw/zinc/66/45/64/1034664564.db2.gz HXAORLPVSBHLQV-OXYJHPMESA-N 1 0 388.515 3.658 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1)c1ccncc1 ZINC001231577827 1034728696 /nfs/dbraw/zinc/72/86/96/1034728696.db2.gz CUGTTXNTWUSVDX-UHFFFAOYSA-N 1 0 395.506 3.876 20 30 GHEDRO CN(c1ccc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cn1)C1CCCCC1 ZINC001159748965 1034732368 /nfs/dbraw/zinc/73/23/68/1034732368.db2.gz RWOCQKPJSGBJCU-UHFFFAOYSA-N 1 0 390.535 3.875 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1O ZINC001231592878 1034748061 /nfs/dbraw/zinc/74/80/61/1034748061.db2.gz LDSNVMQGAKCGPT-XMMPIXPASA-N 1 0 391.515 3.691 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(c3ncccc3C(=O)N(CC)CC)CC2)CC1 ZINC001208177806 1034777874 /nfs/dbraw/zinc/77/78/74/1034777874.db2.gz GEUGTXBSNYVZRA-OAQYLSRUSA-N 1 0 396.579 3.988 20 30 GHEDRO N#Cc1cc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)ccc1OC1CCOCC1 ZINC001159952977 1034798944 /nfs/dbraw/zinc/79/89/44/1034798944.db2.gz BDZLAPOCTHADQD-JOCHJYFZSA-N 1 0 393.487 3.990 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC001208215709 1034806495 /nfs/dbraw/zinc/80/64/95/1034806495.db2.gz NRDQGPKCLWSNAL-YFXJRYMSSA-N 1 0 387.520 3.668 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCOC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001231658370 1034814344 /nfs/dbraw/zinc/81/43/44/1034814344.db2.gz UTFVBVHNCQRLMQ-QHCPKHFHSA-N 1 0 384.520 3.517 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(OC)c(C#N)c2)[NH+]2CCCC2)c1 ZINC001208405830 1034885815 /nfs/dbraw/zinc/88/58/15/1034885815.db2.gz LZRDUEOAESDIMZ-FQEVSTJZSA-N 1 0 394.475 3.534 20 30 GHEDRO Cc1cc(Nc2cccc(OCC[NH3+])c2)c(I)cc1C#N ZINC001160235318 1034912469 /nfs/dbraw/zinc/91/24/69/1034912469.db2.gz KYPJRJPSOAUFOR-UHFFFAOYSA-N 1 0 393.228 3.552 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1C)C2 ZINC001231798234 1034916387 /nfs/dbraw/zinc/91/63/87/1034916387.db2.gz SPKZRSTZTAAJJF-GGAORHGYSA-N 1 0 379.504 3.778 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 ZINC001231816035 1034925779 /nfs/dbraw/zinc/92/57/79/1034925779.db2.gz IENFFWGUABAZBC-PMACEKPBSA-N 1 0 384.524 3.620 20 30 GHEDRO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231818206 1034927001 /nfs/dbraw/zinc/92/70/01/1034927001.db2.gz UBFPOCUSESZRRN-LJQANCHMSA-N 1 0 386.540 3.868 20 30 GHEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231818172 1034927024 /nfs/dbraw/zinc/92/70/24/1034927024.db2.gz KFLROLODAHQKNT-SFHVURJKSA-N 1 0 386.540 3.868 20 30 GHEDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(O)c1 ZINC001231845492 1034939719 /nfs/dbraw/zinc/93/97/19/1034939719.db2.gz NCNZJZKVSYTQFT-QHCPKHFHSA-N 1 0 375.472 3.510 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCCCN1Cc1ccccc1)CC2 ZINC001208583011 1034940975 /nfs/dbraw/zinc/94/09/75/1034940975.db2.gz STGRFVBLHBTUMC-QFIPXVFZSA-N 1 0 397.563 3.762 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H]1CCCCN1Cc1ccccc1)C2 ZINC001208589048 1034945638 /nfs/dbraw/zinc/94/56/38/1034945638.db2.gz QBSPXNYVDWVGIO-TZRRMPRUSA-N 1 0 384.564 3.867 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@@H]3C[C@H](c4ccccc4)CC[NH2+]3)CC2)cc1 ZINC001160569416 1035004890 /nfs/dbraw/zinc/00/48/90/1035004890.db2.gz QDYYZCVJCPLHIM-RPWUZVMVSA-N 1 0 387.527 3.875 20 30 GHEDRO C#C[C@](C)([NH3+])C(=O)N(C)CC[C@@H](c1cccs1)c1ccc(O)c2ccccc21 ZINC001160622637 1035018376 /nfs/dbraw/zinc/01/83/76/1035018376.db2.gz XMTGGGOKEOSCOW-XXBNENTESA-N 1 0 392.524 3.938 20 30 GHEDRO CCCCN(CC#N)C(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001160731369 1035047965 /nfs/dbraw/zinc/04/79/65/1035047965.db2.gz VABKLDXHTBJQII-UHFFFAOYSA-N 1 0 381.442 3.770 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)c1 ZINC001208849256 1035055847 /nfs/dbraw/zinc/05/58/47/1035055847.db2.gz CJEAQMSRODSYHL-UHFFFAOYSA-N 1 0 394.544 3.576 20 30 GHEDRO CN1Cc2ccccc2CC2(CC[NH+](CCCc3cccc(C#N)c3)CC2)C1=O ZINC001208850003 1035057073 /nfs/dbraw/zinc/05/70/73/1035057073.db2.gz SNUAVALCUOMZKK-UHFFFAOYSA-N 1 0 387.527 3.788 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cc1 ZINC001208861200 1035063341 /nfs/dbraw/zinc/06/33/41/1035063341.db2.gz FNPPOXZPQPHYSY-QHCPKHFHSA-N 1 0 395.453 3.898 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@H]2C(OC)(c2ccccc2)c2ccccc2)C1 ZINC001160852961 1035079424 /nfs/dbraw/zinc/07/94/24/1035079424.db2.gz FFUNHUQSCQRGLG-UPVQGACJSA-N 1 0 390.527 3.876 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC1CCN(c3ccccc3)CC1)CC2 ZINC001208907500 1035083058 /nfs/dbraw/zinc/08/30/58/1035083058.db2.gz GGNUGOAKBSFEDC-XMMPIXPASA-N 1 0 381.564 3.936 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCc3ccc(C#N)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001208922973 1035089960 /nfs/dbraw/zinc/08/99/60/1035089960.db2.gz MPFAEEJSYUDPGA-NOZRDPDXSA-N 1 0 385.511 3.605 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1 ZINC001208922157 1035090132 /nfs/dbraw/zinc/09/01/32/1035090132.db2.gz CUFZNRXFLBJOLW-UHFFFAOYSA-N 1 0 381.545 3.529 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC001208927154 1035092757 /nfs/dbraw/zinc/09/27/57/1035092757.db2.gz QOMSJDZWGLAJIJ-DEOSSOPVSA-N 1 0 391.490 3.755 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1Cl ZINC001232112962 1035101397 /nfs/dbraw/zinc/10/13/97/1035101397.db2.gz NRNZKPTUPBXSLX-LJQANCHMSA-N 1 0 383.879 3.809 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208937990 1035105032 /nfs/dbraw/zinc/10/50/32/1035105032.db2.gz YWHINDIHAOISOR-ISJGIBHGSA-N 1 0 398.591 3.972 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC001232118161 1035105334 /nfs/dbraw/zinc/10/53/34/1035105334.db2.gz JZLFAYVICOPQHM-LZLYRXPVSA-N 1 0 375.900 3.947 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)c(Cl)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232117883 1035105509 /nfs/dbraw/zinc/10/55/09/1035105509.db2.gz GJYYBLFXNQHIHQ-KRWDZBQOSA-N 1 0 393.915 3.669 20 30 GHEDRO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001160993874 1035114559 /nfs/dbraw/zinc/11/45/59/1035114559.db2.gz FSBOOGZWJJLKJE-PTUXOGIPSA-N 1 0 387.527 3.733 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232219229 1035168469 /nfs/dbraw/zinc/16/84/69/1035168469.db2.gz AEMPIAQCVOFDTB-UHFFFAOYSA-N 1 0 386.499 3.926 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CC3Cc4ccccc4C3)C[C@@H]2c2ccccc2)C1=O ZINC001209321364 1035241993 /nfs/dbraw/zinc/24/19/93/1035241993.db2.gz RDUAPEJSKYVOHK-RSXGOPAZSA-N 1 0 386.539 3.906 20 30 GHEDRO CC(C)(C)OC(=O)N(CC[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2)C(=O)OC(C)(C)C ZINC001209341772 1035245887 /nfs/dbraw/zinc/24/58/87/1035245887.db2.gz JFFYURBTWMDSOC-PHZGNYQRSA-N 1 0 379.501 3.925 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209371457 1035258079 /nfs/dbraw/zinc/25/80/79/1035258079.db2.gz HHIMLOPKSDZKCT-QFIPXVFZSA-N 1 0 393.572 3.715 20 30 GHEDRO C=CCCCCC[N@@H+]1CCc2cnn(CC3CCOCC3)c2[C@@H]1COCC ZINC001209423871 1035271987 /nfs/dbraw/zinc/27/19/87/1035271987.db2.gz FUYVFEIFRMNDJI-NRFANRHFSA-N 1 0 375.557 3.992 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CCCn2c(CNC(=O)C(C)C)nnc2C1 ZINC001209444481 1035275796 /nfs/dbraw/zinc/27/57/96/1035275796.db2.gz QMRGQVVMFWJUNS-UHFFFAOYSA-N 1 0 375.561 3.673 20 30 GHEDRO Cc1ccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)c(Br)c1 ZINC001248154028 1035579375 /nfs/dbraw/zinc/57/93/75/1035579375.db2.gz HEYOVCUUEIZAEA-OAHLLOKOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccccc2N2CCCCC2)no1 ZINC001248179314 1035606636 /nfs/dbraw/zinc/60/66/36/1035606636.db2.gz FYLCTAJSMAYSQH-IBGZPJMESA-N 1 0 387.487 3.711 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C(F)(F)F)n2)c1 ZINC001248181006 1035609413 /nfs/dbraw/zinc/60/94/13/1035609413.db2.gz NOIMNIICALJGIY-ZDUSSCGKSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001248473932 1035901169 /nfs/dbraw/zinc/90/11/69/1035901169.db2.gz VECPJLXPDWVLKF-IFMALSPDSA-N 1 0 380.536 3.889 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(C#N)cc3CC)C2)cc1 ZINC001248752971 1036110289 /nfs/dbraw/zinc/11/02/89/1036110289.db2.gz KAYYKPIFKXQBDX-QHCPKHFHSA-N 1 0 391.515 3.914 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Br)cnc1C)C2 ZINC001248779539 1036138774 /nfs/dbraw/zinc/13/87/74/1036138774.db2.gz ODIBETHSDCKTKW-MOPGFXCFSA-N 1 0 395.341 3.726 20 30 GHEDRO Cn1c(C[N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)cccc1=O ZINC001248809259 1036174532 /nfs/dbraw/zinc/17/45/32/1036174532.db2.gz PCBFSDHTQJLLBH-JOCHJYFZSA-N 1 0 383.495 3.717 20 30 GHEDRO CCCOc1c(F)cc(F)c(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1F ZINC001243621201 1036220950 /nfs/dbraw/zinc/22/09/50/1036220950.db2.gz AEFXSRXOYSUKBH-UHFFFAOYSA-N 1 0 375.394 3.841 20 30 GHEDRO C[NH+]1CCC(c2ccc(-c3nc4ccccc4nc3NC(=O)CC#N)cc2)CC1 ZINC001243655540 1036240387 /nfs/dbraw/zinc/24/03/87/1036240387.db2.gz XVGYHYAPHRBSSO-UHFFFAOYSA-N 1 0 385.471 3.958 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2ncc(F)c(Oc3ccccc3C#N)n2)c1 ZINC001243749070 1036267249 /nfs/dbraw/zinc/26/72/49/1036267249.db2.gz PPODNKXLRGPRMC-UHFFFAOYSA-N 1 0 378.407 3.887 20 30 GHEDRO N#C[C@@H]1CC=C(c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)CC1 ZINC001243799593 1036283866 /nfs/dbraw/zinc/28/38/66/1036283866.db2.gz UXFJZBFCMOLPKZ-AEFFLSMTSA-N 1 0 375.476 3.903 20 30 GHEDRO N#Cc1ccc(Oc2nc(C3=CC[C@@H]([NH+]4CCOCC4)CC3)ncc2F)cc1 ZINC001245424846 1036918987 /nfs/dbraw/zinc/91/89/87/1036918987.db2.gz USLMTJYNEFPJDC-QGZVFWFLSA-N 1 0 380.423 3.548 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN[C@]1(C)CC[NH2+]C1 ZINC001245988514 1037110649 /nfs/dbraw/zinc/11/06/49/1037110649.db2.gz CZHXMSAIWALRAF-FCHUYYIVSA-N 1 0 386.621 3.643 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246029240 1037146692 /nfs/dbraw/zinc/14/66/92/1037146692.db2.gz VWIIGSVCUVFRKK-YTFSRNRJSA-N 1 0 398.632 3.738 20 30 GHEDRO ON=C(N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001246163499 1037217892 /nfs/dbraw/zinc/21/78/92/1037217892.db2.gz YFENZITYQSNDTN-RDJZCZTQSA-N 1 0 379.382 3.804 20 30 GHEDRO CCCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1ccsc1 ZINC001278436376 1037241660 /nfs/dbraw/zinc/24/16/60/1037241660.db2.gz HUPWIIBVTAAFQN-BGYRXZFFSA-N 1 0 378.582 3.953 20 30 GHEDRO C=CCC[C@@H]1CCCN1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001246479685 1037425942 /nfs/dbraw/zinc/42/59/42/1037425942.db2.gz VKWMWVHEQFADMF-OAQYLSRUSA-N 1 0 385.552 3.544 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246481347 1037428979 /nfs/dbraw/zinc/42/89/79/1037428979.db2.gz HGRVDLQMDSUJGR-CBGDNZLLSA-N 1 0 388.552 3.623 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(C[C@H]3C[NH2+]Cc4cccn4C3)n2)cc1Cl ZINC001247099611 1037916214 /nfs/dbraw/zinc/91/62/14/1037916214.db2.gz PTRZJKBDXZLRRK-NSHDSACASA-N 1 0 388.258 3.679 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232260440 1037981083 /nfs/dbraw/zinc/98/10/83/1037981083.db2.gz QLAFZWJGJXHNCN-UHFFFAOYSA-N 1 0 394.899 3.752 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(OC)ccc3OCC)C2)C1 ZINC001232383481 1038161517 /nfs/dbraw/zinc/16/15/17/1038161517.db2.gz XUCVBICZEHKJNX-QFIPXVFZSA-N 1 0 388.508 3.704 20 30 GHEDRO N#Cc1ccnc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)c1 ZINC001232475004 1038259493 /nfs/dbraw/zinc/25/94/93/1038259493.db2.gz FCOVSCBHNNLLRJ-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO Cc1cccc2c1C1(C[C@@H]2Cc2nc(-c3ccc(C#N)cn3)no2)CC[NH2+]CC1 ZINC001247843659 1038419239 /nfs/dbraw/zinc/41/92/39/1038419239.db2.gz RDGHRSXYHNUWDO-KRWDZBQOSA-N 1 0 385.471 3.663 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3c1cccc3C(=O)OC)CCO2 ZINC001232708836 1038508525 /nfs/dbraw/zinc/50/85/25/1038508525.db2.gz WTCLLSLKLHSSGB-WZONZLPQSA-N 1 0 398.503 3.528 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3c1cccc3C(=O)OC)C2 ZINC001232709152 1038508681 /nfs/dbraw/zinc/50/86/81/1038508681.db2.gz CZUHUZWSGGESTG-OFNKIYASSA-N 1 0 398.503 3.528 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)s1 ZINC001232842508 1038593397 /nfs/dbraw/zinc/59/33/97/1038593397.db2.gz HHFFDJUAUJZZQQ-UHFFFAOYSA-N 1 0 394.525 3.929 20 30 GHEDRO N#Cc1ccc(CN2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC001232843582 1038595261 /nfs/dbraw/zinc/59/52/61/1038595261.db2.gz RGLLOSKJYPMBFR-IBGZPJMESA-N 1 0 388.487 3.748 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232890936 1038677980 /nfs/dbraw/zinc/67/79/80/1038677980.db2.gz CQDAYLREHSSAKY-VWNXMTODSA-N 1 0 397.538 3.658 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cc(C)c(Br)cn1)C2 ZINC001232906140 1038702853 /nfs/dbraw/zinc/70/28/53/1038702853.db2.gz CKJWHJVASSYPQA-OALUTQOASA-N 1 0 395.341 3.726 20 30 GHEDRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3cccc(C#N)n3)CC2)CC1=O ZINC001232925196 1038713159 /nfs/dbraw/zinc/71/31/59/1038713159.db2.gz PEFSCYCEIBOONY-UHFFFAOYSA-N 1 0 388.515 3.880 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001277735485 1038713648 /nfs/dbraw/zinc/71/36/48/1038713648.db2.gz UNIRXWSJHJZXDK-SJLPKXTDSA-N 1 0 378.479 3.585 20 30 GHEDRO Cc1ccc(C[N@H+]2C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C2)c(C#N)c1 ZINC001232964487 1038737958 /nfs/dbraw/zinc/73/79/58/1038737958.db2.gz YSALPBMTVRAZOI-MOPGFXCFSA-N 1 0 387.499 3.942 20 30 GHEDRO Cc1ccc(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c(C#N)c1 ZINC001232969087 1038742187 /nfs/dbraw/zinc/74/21/87/1038742187.db2.gz XTBGRASTZFQQOB-MRXNPFEDSA-N 1 0 376.382 3.719 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(I)cc1O ZINC001232977374 1038746165 /nfs/dbraw/zinc/74/61/65/1038746165.db2.gz BFTMYAPDYCCDKK-UHFFFAOYSA-N 1 0 378.213 3.500 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(O)cc(Br)c1)C2 ZINC001232996290 1038757088 /nfs/dbraw/zinc/75/70/88/1038757088.db2.gz LNCLQEGFVISJOT-OALUTQOASA-N 1 0 396.325 3.728 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001233079908 1038847724 /nfs/dbraw/zinc/84/77/24/1038847724.db2.gz QJAOLSUXVBDZMP-XZOQPEGZSA-N 1 0 377.488 3.602 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCC2CCOCC2)C1 ZINC001233081831 1038853617 /nfs/dbraw/zinc/85/36/17/1038853617.db2.gz QUJVYABFONGMEK-RPWUZVMVSA-N 1 0 398.547 3.681 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CN(CC)C(=O)[C@@H]2COCC)CC1 ZINC001252127551 1038878325 /nfs/dbraw/zinc/87/83/25/1038878325.db2.gz BGDOLPLRXHYAFY-RTWAWAEBSA-N 1 0 396.616 3.695 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@H]1CC ZINC001252127922 1038878525 /nfs/dbraw/zinc/87/85/25/1038878525.db2.gz HASDMEQIZNJHHF-XJUOHMSHSA-N 1 0 396.616 3.980 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001252129302 1038882058 /nfs/dbraw/zinc/88/20/58/1038882058.db2.gz YZRIMYSURAQDTG-RTWAWAEBSA-N 1 0 387.568 3.631 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001252129300 1038883877 /nfs/dbraw/zinc/88/38/77/1038883877.db2.gz YZRIMYSURAQDTG-LEWJYISDSA-N 1 0 387.568 3.631 20 30 GHEDRO CCC[N@H+](C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)CC ZINC001252311932 1038939454 /nfs/dbraw/zinc/93/94/54/1038939454.db2.gz BMUHLLASGUXGLW-ACJLOTCBSA-N 1 0 385.430 3.777 20 30 GHEDRO C[N@H+](C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 ZINC001252313620 1038939617 /nfs/dbraw/zinc/93/96/17/1038939617.db2.gz ONILYLYFNXWGOW-GOSISDBHSA-N 1 0 383.414 3.531 20 30 GHEDRO CCCC1CC[NH+](C[C@@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001252322193 1038941337 /nfs/dbraw/zinc/94/13/37/1038941337.db2.gz XGQUPLYHDCRIEI-LJQANCHMSA-N 1 0 397.441 3.779 20 30 GHEDRO CCCC1([NH2+]C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC001252338072 1038946643 /nfs/dbraw/zinc/94/66/43/1038946643.db2.gz GQXMLIDGIULDLH-KRWDZBQOSA-N 1 0 383.414 3.579 20 30 GHEDRO C=CCOC[C@@H](O)C[N@@H+](C(CC)CC)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252471235 1038999844 /nfs/dbraw/zinc/99/98/44/1038999844.db2.gz DTHVOMXLQOZMKR-IHPCNDPISA-N 1 0 398.588 3.876 20 30 GHEDRO COC(=O)/C=C/c1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001233299998 1039094071 /nfs/dbraw/zinc/09/40/71/1039094071.db2.gz XHFDSOFXTMVKCV-VDZCTEQFSA-N 1 0 376.456 3.788 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cc4cccnc4s3)CC2)cc1 ZINC001233349704 1039161903 /nfs/dbraw/zinc/16/19/03/1039161903.db2.gz DZOKPJYAMTWXQZ-UHFFFAOYSA-N 1 0 391.500 3.954 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(N)cc1Cl)CC2 ZINC001233373599 1039197056 /nfs/dbraw/zinc/19/70/56/1039197056.db2.gz RAXSWWQNXZWVNR-UHFFFAOYSA-N 1 0 377.916 3.923 20 30 GHEDRO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001233384760 1039210455 /nfs/dbraw/zinc/21/04/55/1039210455.db2.gz HXXXZQCQSPOARG-LJQANCHMSA-N 1 0 397.544 3.581 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)cc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252942482 1039286306 /nfs/dbraw/zinc/28/63/06/1039286306.db2.gz ZGRYVSPEBJERNL-LJQANCHMSA-N 1 0 376.287 3.914 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001253234392 1039487522 /nfs/dbraw/zinc/48/75/22/1039487522.db2.gz ANABJQMVAIZUBK-BAGYTPMASA-N 1 0 388.527 3.603 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001253236440 1039490804 /nfs/dbraw/zinc/49/08/04/1039490804.db2.gz CUPKDMQMTBFJBB-RBBKRZOGSA-N 1 0 398.551 3.676 20 30 GHEDRO C=CCCCCCC[C@@H](O)CN1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253236371 1039491767 /nfs/dbraw/zinc/49/17/67/1039491767.db2.gz SOWHITOXZJTWNU-RBBKRZOGSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCOC[C@H]2NC(=O)C(C)C)CC1 ZINC001253237878 1039495030 /nfs/dbraw/zinc/49/50/30/1039495030.db2.gz NZYIKHRXBVAYMG-NHCUHLMSSA-N 1 0 394.600 3.517 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001253239003 1039496912 /nfs/dbraw/zinc/49/69/12/1039496912.db2.gz VIZYOGOWPCHJSG-FCHUYYIVSA-N 1 0 384.564 3.870 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001253246976 1039502004 /nfs/dbraw/zinc/50/20/04/1039502004.db2.gz DZJXGFXYLZKVTE-NRFANRHFSA-N 1 0 388.552 3.777 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC001253256447 1039505525 /nfs/dbraw/zinc/50/55/25/1039505525.db2.gz YFUVFFYEEHNABX-LJQANCHMSA-N 1 0 376.516 3.907 20 30 GHEDRO C#C[C@@H]1CCCN(Cc2cc(C)cc(Br)c2OCC(=O)OCC)C1 ZINC001462387492 1070218806 /nfs/dbraw/zinc/21/88/06/1070218806.db2.gz ZDHKOOQTOTXOOQ-OAHLLOKOSA-N 1 0 394.309 3.545 20 30 GHEDRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(OC3CC(C#N)C3)cc2)CC1 ZINC001233828953 1039650616 /nfs/dbraw/zinc/65/06/16/1039650616.db2.gz NSYXOBQMYSJXBN-UHFFFAOYSA-N 1 0 385.508 3.857 20 30 GHEDRO C=C[C@@H](O)C[NH+]1CCC(c2cc3c(ncn3C(C)C)c(-c3cccnc3)n2)CC1 ZINC001253575388 1039708313 /nfs/dbraw/zinc/70/83/13/1039708313.db2.gz AGWOXYXCHDIYRL-LJQANCHMSA-N 1 0 391.519 3.801 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)ccc21 ZINC001253598864 1039716504 /nfs/dbraw/zinc/71/65/04/1039716504.db2.gz ACKFSHBEYVRAJX-YLJYHZDGSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21 ZINC001253599934 1039717466 /nfs/dbraw/zinc/71/74/66/1039717466.db2.gz UPROCDHWXBKKRT-QFBILLFUSA-N 1 0 390.499 3.676 20 30 GHEDRO C=C[C@@H](O)C[NH2+]CC1(Cc2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253607425 1039719761 /nfs/dbraw/zinc/71/97/61/1039719761.db2.gz WXWLYLIMACAWOP-LJQANCHMSA-N 1 0 392.515 3.522 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C1CC(CO)C1 ZINC001253613809 1039721256 /nfs/dbraw/zinc/72/12/56/1039721256.db2.gz FEUSCWBMSOQUKZ-HRTMPFAESA-N 1 0 387.605 3.662 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@H](O)C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001253986821 1039935756 /nfs/dbraw/zinc/93/57/56/1039935756.db2.gz MKRSIEKIOYIENW-OAQYLSRUSA-N 1 0 394.515 3.771 20 30 GHEDRO N#Cc1c2c(sc1NCC1(O)CC[NH+](Cc3ccccc3)CC1)CCCC2 ZINC001254029069 1039963328 /nfs/dbraw/zinc/96/33/28/1039963328.db2.gz FZDZLRCEZJSMSX-UHFFFAOYSA-N 1 0 381.545 3.938 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@@H]2C[C@]3(CCC[NH2+]3)CO2)cc1 ZINC001254064388 1039980406 /nfs/dbraw/zinc/98/04/06/1039980406.db2.gz MTNWHYYUICPWRZ-XUZZJYLKSA-N 1 0 384.483 3.505 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@H]4C[C@@]5(CO4)CCCC[NH2+]5)nn3)cc2)cc1 ZINC001254066775 1039981611 /nfs/dbraw/zinc/98/16/11/1039981611.db2.gz FDINSXXMYHUSND-ILBGXUMGSA-N 1 0 398.510 3.895 20 30 GHEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(C#N)ccc1I)C2 ZINC001234431097 1040030523 /nfs/dbraw/zinc/03/05/23/1040030523.db2.gz SKGMAYWERREJMP-FICVDOATSA-N 1 0 396.272 3.945 20 30 GHEDRO N#Cc1ccc2nc(=O)[nH]c(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2c1 ZINC001234530986 1040105229 /nfs/dbraw/zinc/10/52/29/1040105229.db2.gz QCQQLSDPRXPCMM-REPLKXPHSA-N 1 0 386.455 3.781 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc4sccc4nc3Cl)CC2)C1=O ZINC001277867179 1040147549 /nfs/dbraw/zinc/14/75/49/1040147549.db2.gz USYBTMUPXJGZQW-HXUWFJFHSA-N 1 0 387.936 3.788 20 30 GHEDRO CCOC(=O)c1cccc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)n1 ZINC001254348437 1040182057 /nfs/dbraw/zinc/18/20/57/1040182057.db2.gz LYPZOKOMDHQDNU-UHFFFAOYSA-N 1 0 381.451 3.891 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(CCc3ccncc3)CC2)CC1 ZINC001254355543 1040188466 /nfs/dbraw/zinc/18/84/66/1040188466.db2.gz HPJNEAZTKWNSQO-UHFFFAOYSA-N 1 0 392.522 3.785 20 30 GHEDRO Cc1cncnc1O[C@H]1CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254360144 1040192789 /nfs/dbraw/zinc/19/27/89/1040192789.db2.gz XARYSROKQLSSGK-FUHYEJFZSA-N 1 0 380.467 3.781 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001254550322 1040317251 /nfs/dbraw/zinc/31/72/51/1040317251.db2.gz HQHOBKPGQMOJEZ-UTKZUKDTSA-N 1 0 387.480 3.636 20 30 GHEDRO COc1cc2c(ccnc2O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234866696 1040379657 /nfs/dbraw/zinc/37/96/57/1040379657.db2.gz FFBUSMCEPNSEJV-SFHVURJKSA-N 1 0 377.419 3.907 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(c2ncccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254638177 1040413244 /nfs/dbraw/zinc/41/32/44/1040413244.db2.gz XKMAYYFYINIWQB-LPHOPBHVSA-N 1 0 384.524 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(Cc2ccccn2)([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254648941 1040418306 /nfs/dbraw/zinc/41/83/06/1040418306.db2.gz PHEOSQZWQZIUJI-MSOLQXFVSA-N 1 0 384.524 3.676 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001235019565 1040508103 /nfs/dbraw/zinc/50/81/03/1040508103.db2.gz NRIWAPBBHLJKAU-UHFFFAOYSA-N 1 0 386.499 3.685 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](n1cc(CC[NH3+])c3cc(C#N)ccc31)C2 ZINC001254767020 1040526716 /nfs/dbraw/zinc/52/67/16/1040526716.db2.gz NPRINHIWQOPRAC-GOSISDBHSA-N 1 0 394.519 3.976 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-c3nnc(C)o3)cc1)CC2 ZINC001235046923 1040539598 /nfs/dbraw/zinc/53/95/98/1040539598.db2.gz AMSYGCDAOAJRAW-QFIPXVFZSA-N 1 0 380.492 3.578 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(-c3nnc(C)o3)cc1)C2 ZINC001235046777 1040539652 /nfs/dbraw/zinc/53/96/52/1040539652.db2.gz BSTXQNSMVJFWHL-JOCHJYFZSA-N 1 0 380.492 3.578 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001254852376 1040594996 /nfs/dbraw/zinc/59/49/96/1040594996.db2.gz YSVQQWTZCLOPEB-FQEVSTJZSA-N 1 0 386.455 3.996 20 30 GHEDRO N#Cc1cccc(OCc2cccc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)c2)c1 ZINC001254852459 1040596372 /nfs/dbraw/zinc/59/63/72/1040596372.db2.gz ZQFZYLJYQRCBSJ-NRFANRHFSA-N 1 0 386.455 3.996 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C1)CCC(NC(=[NH2+])c1ccc(C#N)cc1)CC2 ZINC001254870205 1040615059 /nfs/dbraw/zinc/61/50/59/1040615059.db2.gz QYGUXTDAQFZDPE-UHFFFAOYSA-N 1 0 382.508 3.833 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001278829460 1040691367 /nfs/dbraw/zinc/69/13/67/1040691367.db2.gz GSXPIWRTEQBYEF-UHFFFAOYSA-N 1 0 399.336 3.747 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001254963542 1040694217 /nfs/dbraw/zinc/69/42/17/1040694217.db2.gz SXCWDKOEZXJFCJ-UHFFFAOYSA-N 1 0 394.515 3.917 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1Cl ZINC001235371370 1040876778 /nfs/dbraw/zinc/87/67/78/1040876778.db2.gz QJXYCSGTWKNTHK-QRWLVFNGSA-N 1 0 386.952 3.609 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C2 ZINC001255231198 1040918732 /nfs/dbraw/zinc/91/87/32/1040918732.db2.gz WFBQYGNSVYTCNA-REPLKXPHSA-N 1 0 385.508 3.847 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccccc3C#N)CC1)C2 ZINC001255234681 1040920263 /nfs/dbraw/zinc/92/02/63/1040920263.db2.gz IRZJCJCVTLFOQS-PMOLBWCYSA-N 1 0 396.535 3.611 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](C3CCC(C(=O)OCC)CC3)CC2)C1 ZINC001255258628 1040930379 /nfs/dbraw/zinc/93/03/79/1040930379.db2.gz WEAUYWWCFBALFE-UHFFFAOYSA-N 1 0 392.540 3.609 20 30 GHEDRO N#Cc1cc(Br)cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c1 ZINC001278858248 1040944596 /nfs/dbraw/zinc/94/45/96/1040944596.db2.gz NNVIOFAWSBVANZ-HDICACEKSA-N 1 0 388.309 3.552 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001235516274 1040971516 /nfs/dbraw/zinc/97/15/16/1040971516.db2.gz GDYHPRPGYJGCCM-JOCHJYFZSA-N 1 0 396.485 3.881 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](C#N)(N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255385604 1040974533 /nfs/dbraw/zinc/97/45/33/1040974533.db2.gz IWZIHJAXMOKSAM-NFBKMPQASA-N 1 0 398.551 3.534 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@H]21 ZINC001235656395 1041107003 /nfs/dbraw/zinc/10/70/03/1041107003.db2.gz DGVXBRUNFUPMTB-GEQKSPFYSA-N 1 0 396.485 3.964 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(Cc1c(F)cc(C#N)cc1F)C2 ZINC001235662830 1041113538 /nfs/dbraw/zinc/11/35/38/1041113538.db2.gz JZRTZIDQTRVMLS-ZSBFGKGUSA-N 1 0 377.435 3.572 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@@H]3CCOC(C)(C)C3)c3ccccc32)cc1 ZINC001255535502 1041115866 /nfs/dbraw/zinc/11/58/66/1041115866.db2.gz NVBQDINFERLPFS-QGZVFWFLSA-N 1 0 392.503 3.756 20 30 GHEDRO CN(Cc1cc(Oc2ccc(C#N)cc2)ccc1Br)[C@H]1CC[NH2+]C1 ZINC001235738095 1041225333 /nfs/dbraw/zinc/22/53/33/1041225333.db2.gz CHTIKGKAMQROFB-INIZCTEOSA-N 1 0 386.293 3.907 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001255931682 1041420814 /nfs/dbraw/zinc/42/08/14/1041420814.db2.gz MQUWDOJJYCOZLW-UHFFFAOYSA-N 1 0 399.922 3.983 20 30 GHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(CC#N)Cc2ccccc2)CC1 ZINC001255936734 1041425598 /nfs/dbraw/zinc/42/55/98/1041425598.db2.gz YCNYJYWQOKRQAC-UHFFFAOYSA-N 1 0 379.504 3.694 20 30 GHEDRO O=C(N1CCC([NH2+]CCc2cc(C(F)(F)F)ccc2F)CC1)C(F)(F)F ZINC001255976390 1041452480 /nfs/dbraw/zinc/45/24/80/1041452480.db2.gz XCWWJSVJQMSOSP-UHFFFAOYSA-N 1 0 386.311 3.530 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CCC([C@@H](N)C(=O)OC)CC2)cc1 ZINC001236065476 1041519120 /nfs/dbraw/zinc/51/91/20/1041519120.db2.gz AOBFUWRRFZFHNO-OAQYLSRUSA-N 1 0 376.541 3.748 20 30 GHEDRO COc1cc(N2CCC([N@H+](C)Cc3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC001256101667 1041528530 /nfs/dbraw/zinc/52/85/30/1041528530.db2.gz QQMKNNPYIFPPMG-UHFFFAOYSA-N 1 0 380.448 3.576 20 30 GHEDRO CCCOc1c(F)c(F)c(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c(F)c1F ZINC001236328387 1041673394 /nfs/dbraw/zinc/67/33/94/1041673394.db2.gz OHPQFLWFZKGABG-UHFFFAOYSA-N 1 0 393.384 3.980 20 30 GHEDRO COC(=O)c1cccc(CN(Cc2ccc(C#N)c(Cl)c2)C2CC[NH2+]CC2)c1 ZINC001236466940 1041729375 /nfs/dbraw/zinc/72/93/75/1041729375.db2.gz NGHHSSSWSVLJIY-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO N#Cc1ccc(F)cc1CN(Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236499251 1041741232 /nfs/dbraw/zinc/74/12/32/1041741232.db2.gz FHCVXSTWBKUDLF-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO N#Cc1c(F)cc(CN(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)cc1F ZINC001236503884 1041743617 /nfs/dbraw/zinc/74/36/17/1041743617.db2.gz FQTKCRQUZWQAET-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OC(F)F)cc1F)CC2 ZINC001236714486 1041850330 /nfs/dbraw/zinc/85/03/30/1041850330.db2.gz KIFQLPSMIMZYPT-HXUWFJFHSA-N 1 0 382.426 3.960 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(OC)c(F)cc1F)CC2 ZINC001236817926 1041915017 /nfs/dbraw/zinc/91/50/17/1041915017.db2.gz OXSIGSCPOGOIHW-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(F)c(N3CCCC3)c1)C2 ZINC001237086318 1042028396 /nfs/dbraw/zinc/02/83/96/1042028396.db2.gz APUWWFXPQFEIJS-XZOQPEGZSA-N 1 0 388.527 4.000 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237111489 1042044261 /nfs/dbraw/zinc/04/42/61/1042044261.db2.gz PQKGYHBPJLCEFL-KBXCAEBGSA-N 1 0 387.398 3.617 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3sc(=O)[nH]c3Cl)C2)CC1 ZINC001237162454 1042072670 /nfs/dbraw/zinc/07/26/70/1042072670.db2.gz VCWHNCHFPMRFTL-UHFFFAOYSA-N 1 0 385.917 3.503 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)ccn1 ZINC001237461713 1042217953 /nfs/dbraw/zinc/21/79/53/1042217953.db2.gz CKTVWWIFXIPKFB-JOCHJYFZSA-N 1 0 386.499 3.529 20 30 GHEDRO Cn1cc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237465228 1042219710 /nfs/dbraw/zinc/21/97/10/1042219710.db2.gz HSDCRSXBBAIPAG-QZTJIDSGSA-N 1 0 376.529 3.675 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237467324 1042220298 /nfs/dbraw/zinc/22/02/98/1042220298.db2.gz TZVHBKZVZZESDN-SFHVURJKSA-N 1 0 382.508 3.929 20 30 GHEDRO Cc1ccc2nc(C3CC[NH+](Cc4cn(C)c5ccc(C#N)cc45)CC3)nn2c1 ZINC001237470140 1042221696 /nfs/dbraw/zinc/22/16/96/1042221696.db2.gz UFSRGMDVRZLKJK-UHFFFAOYSA-N 1 0 384.487 3.781 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c2cc(C#N)ccc21 ZINC001237469885 1042222204 /nfs/dbraw/zinc/22/22/04/1042222204.db2.gz DYVVZEBASITGSA-MDKPJZGXSA-N 1 0 379.504 3.992 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)c2cc(C#N)ccc21 ZINC001237472642 1042223683 /nfs/dbraw/zinc/22/36/83/1042223683.db2.gz KWCACZVKRXIQSZ-XMMPIXPASA-N 1 0 385.467 3.891 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)CCCN1C(=O)OC(C)(C)C ZINC001237473276 1042223790 /nfs/dbraw/zinc/22/37/90/1042223790.db2.gz VIOFOCAWRVFIFY-INIZCTEOSA-N 1 0 382.508 3.881 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473170 1042223902 /nfs/dbraw/zinc/22/39/02/1042223902.db2.gz UOGCMTOPLGRDTD-KXBFYZLASA-N 1 0 382.508 3.928 20 30 GHEDRO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237473567 1042224382 /nfs/dbraw/zinc/22/43/82/1042224382.db2.gz OBFPEUTUKKVJCL-MSOLQXFVSA-N 1 0 394.519 3.739 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c2cc(C#N)ccc21 ZINC001237473756 1042224428 /nfs/dbraw/zinc/22/44/28/1042224428.db2.gz UEFVWMKTNJUEJT-PKTZIBPZSA-N 1 0 386.499 3.674 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)c4ccccc4[nH]c3=O)C2)C1=O ZINC001237499650 1042237563 /nfs/dbraw/zinc/23/75/63/1042237563.db2.gz ZSAKFQQMUXBGFG-NRFANRHFSA-N 1 0 385.895 3.594 20 30 GHEDRO N#Cc1cc(CN2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(F)cc1F ZINC001237526211 1042249732 /nfs/dbraw/zinc/24/97/32/1042249732.db2.gz CZTPVPAWGMIBDG-OAQYLSRUSA-N 1 0 385.389 3.605 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cc(C#N)c(F)cc4F)C3)C2=O)c1 ZINC001237524895 1042250735 /nfs/dbraw/zinc/25/07/35/1042250735.db2.gz BJBNRCZNNNZZKN-HSZRJFAPSA-N 1 0 395.453 3.770 20 30 GHEDRO N#Cc1ccc2nc(C[NH+]3CCC4(CC3)OCc3cc(Cl)ccc34)cn2c1 ZINC001237606740 1042278563 /nfs/dbraw/zinc/27/85/63/1042278563.db2.gz MQLPYRVPIUKGCS-UHFFFAOYSA-N 1 0 378.863 3.881 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]12 ZINC001237751048 1042353371 /nfs/dbraw/zinc/35/33/71/1042353371.db2.gz QZSXDEWHPPFCKO-PKTZIBPZSA-N 1 0 393.918 3.976 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(F)cc1OCCC)CC2 ZINC001237904020 1042417577 /nfs/dbraw/zinc/41/75/77/1042417577.db2.gz UGNIEXXQDFRUDH-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238015756 1042460385 /nfs/dbraw/zinc/46/03/85/1042460385.db2.gz YVSNJZXRQKLWCS-GGAORHGYSA-N 1 0 395.503 3.843 20 30 GHEDRO N#Cc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001238082156 1042485549 /nfs/dbraw/zinc/48/55/49/1042485549.db2.gz HXKFXEMDYDADNC-QUCCMNQESA-N 1 0 385.870 3.688 20 30 GHEDRO COc1ccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC001238085432 1042486421 /nfs/dbraw/zinc/48/64/21/1042486421.db2.gz FXRMQGIPVCBTGL-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)ccc1Cl ZINC001238191792 1042514787 /nfs/dbraw/zinc/51/47/87/1042514787.db2.gz WOHSLLMYGMZDAO-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)ccc1C#N ZINC001238405783 1042586225 /nfs/dbraw/zinc/58/62/25/1042586225.db2.gz ITWOHKIHBRGQLB-UHFFFAOYSA-N 1 0 381.520 3.572 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ccc1C#N ZINC001238407376 1042586811 /nfs/dbraw/zinc/58/68/11/1042586811.db2.gz NYECGGCTVQVXKT-HSZRJFAPSA-N 1 0 379.479 3.946 20 30 GHEDRO COc1cc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1C#N ZINC001238412289 1042587773 /nfs/dbraw/zinc/58/77/73/1042587773.db2.gz DPKZLYMPWGJDKC-UHFFFAOYSA-N 1 0 389.421 3.903 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(F)c(F)c1OC)[C@H]2CC ZINC001238467028 1042606354 /nfs/dbraw/zinc/60/63/54/1042606354.db2.gz CTUXCNNBQPAPCW-UWJYYQICSA-N 1 0 378.463 3.895 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3ccc(F)c(F)c3OC)C2)C1 ZINC001238475419 1042610152 /nfs/dbraw/zinc/61/01/52/1042610152.db2.gz OOLWXYQBYCEEOZ-FQEVSTJZSA-N 1 0 380.435 3.584 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OCC)ncc1F)[C@H]2CC ZINC001238723412 1042701962 /nfs/dbraw/zinc/70/19/62/1042701962.db2.gz HEKVNZRERLVREW-RXVVDRJESA-N 1 0 375.488 3.541 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)ccc1C#N ZINC001238760720 1042717388 /nfs/dbraw/zinc/71/73/88/1042717388.db2.gz OTUZJRHMAFFASY-DEOSSOPVSA-N 1 0 389.499 3.758 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)ccc1C#N ZINC001238763906 1042719565 /nfs/dbraw/zinc/71/95/65/1042719565.db2.gz WRUDWQWHLSIVNZ-RPBOFIJWSA-N 1 0 389.543 3.638 20 30 GHEDRO CCc1cc(CN2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)ccc1C#N ZINC001238775970 1042723216 /nfs/dbraw/zinc/72/32/16/1042723216.db2.gz QDFOUIXPIRFIEB-JAXLGGSGSA-N 1 0 397.544 3.773 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)ccc1C#N ZINC001238776983 1042724002 /nfs/dbraw/zinc/72/40/02/1042724002.db2.gz YCKAJBJIHRNCMD-LOSJGSFVSA-N 1 0 387.527 3.885 20 30 GHEDRO C[NH+]1CCN(c2cc(-c3ccc(COc4ccc(CC#N)cc4)cn3)ccn2)CC1 ZINC001238818869 1042738242 /nfs/dbraw/zinc/73/82/42/1042738242.db2.gz JQUPDUWNNHHCNK-UHFFFAOYSA-N 1 0 399.498 3.540 20 30 GHEDRO CN(C)C(=O)c1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1Cl ZINC001239009234 1042758728 /nfs/dbraw/zinc/75/87/28/1042758728.db2.gz URRPAYAFMCHOEU-UHFFFAOYSA-N 1 0 383.879 3.711 20 30 GHEDRO O=C(NCC1(F)CC[NH2+]CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239217676 1042787995 /nfs/dbraw/zinc/78/79/95/1042787995.db2.gz VPEJLPQANHNHMJ-UHFFFAOYSA-N 1 0 387.299 3.937 20 30 GHEDRO CCCCCCCNC(=S)NCC1(c2ccccc2OC)CC[NH2+]CC1 ZINC001239390858 1042820535 /nfs/dbraw/zinc/82/05/35/1042820535.db2.gz JFRQWUQRFFIWJL-UHFFFAOYSA-N 1 0 377.598 3.751 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2(Cc3ccccc3F)CC[NH2+]CC2)cc1 ZINC001239394070 1042821942 /nfs/dbraw/zinc/82/19/42/1042821942.db2.gz OLDCNEVIGCFMAD-UHFFFAOYSA-N 1 0 382.508 3.596 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-c3cccc(CN4CC[NH2+]CC4)c3)nn2)cc1 ZINC001240226623 1042909959 /nfs/dbraw/zinc/90/99/59/1042909959.db2.gz RHXOTBZBESQAPG-JOCHJYFZSA-N 1 0 383.499 3.513 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1C#N ZINC001240338160 1042922351 /nfs/dbraw/zinc/92/23/51/1042922351.db2.gz NJHUHKGRFWZYLJ-UHFFFAOYSA-N 1 0 383.480 3.963 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291144628 1043107413 /nfs/dbraw/zinc/10/74/13/1043107413.db2.gz RRCWKWBJTDZTSO-MOPGFXCFSA-N 1 0 386.588 3.870 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001291155107 1043113225 /nfs/dbraw/zinc/11/32/25/1043113225.db2.gz LAPGOBBMZZRODB-MSOLQXFVSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001291154851 1043113417 /nfs/dbraw/zinc/11/34/17/1043113417.db2.gz GTGVCLFZRYCOTK-MOPGFXCFSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001291489079 1043300116 /nfs/dbraw/zinc/30/01/16/1043300116.db2.gz XZMLTERZEULFEG-HKUYNNGSSA-N 1 0 384.572 3.939 20 30 GHEDRO C=C[C@@H](C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001291687260 1043394779 /nfs/dbraw/zinc/39/47/79/1043394779.db2.gz XEGBMRKDSMKHNO-XMMPIXPASA-N 1 0 391.559 3.670 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001291763995 1043448829 /nfs/dbraw/zinc/44/88/29/1043448829.db2.gz AACSVRKFNPHURK-MSOLQXFVSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535310 1043477368 /nfs/dbraw/zinc/47/73/68/1043477368.db2.gz FAACQWLAPAQWCI-SIKLNZKXSA-N 1 0 385.552 3.664 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256550664 1043513755 /nfs/dbraw/zinc/51/37/55/1043513755.db2.gz NDQRRFLDYUKUJV-KJXAQDMKSA-N 1 0 394.563 3.575 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001256598423 1043563188 /nfs/dbraw/zinc/56/31/88/1043563188.db2.gz YXIUXGQXNCQTFH-QHCPKHFHSA-N 1 0 378.516 3.581 20 30 GHEDRO COc1cccc2c1CC[C@H](NC1(C#N)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256639362 1043587226 /nfs/dbraw/zinc/58/72/26/1043587226.db2.gz NAWGJEMXCVKESA-NRFANRHFSA-N 1 0 375.516 3.700 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CCc4c(cccc4OC)C3)C2)C1 ZINC001256644673 1043590832 /nfs/dbraw/zinc/59/08/32/1043590832.db2.gz YLAHAEJKQRYMSF-WMZHIEFXSA-N 1 0 384.520 3.663 20 30 GHEDRO C=CCOCc1nn([C@H](C)Cc2ccccc2Br)c2c1C[NH2+]C2 ZINC001256841605 1043693437 /nfs/dbraw/zinc/69/34/37/1043693437.db2.gz SHDAMONVTORJFG-CYBMUJFWSA-N 1 0 376.298 3.755 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001292457634 1043742957 /nfs/dbraw/zinc/74/29/57/1043742957.db2.gz IUTDRHOQTZMZBF-PXNSSMCTSA-N 1 0 380.540 3.588 20 30 GHEDRO CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[N@@H+](CC)C(C)C)cc1 ZINC001292499662 1043764344 /nfs/dbraw/zinc/76/43/44/1043764344.db2.gz MTWKGRZWYBPWMG-QFIPXVFZSA-N 1 0 398.530 3.680 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(N2CCC([NH2+]C3CCC(C#N)CC3)CC2)CC1 ZINC001256950289 1043770461 /nfs/dbraw/zinc/77/04/61/1043770461.db2.gz AOFFEFXOYMZILJ-UHFFFAOYSA-N 1 0 390.572 3.522 20 30 GHEDRO N#CC1CCC([N@@H+]2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)CC1 ZINC001256964375 1043775720 /nfs/dbraw/zinc/77/57/20/1043775720.db2.gz WAAWYUTXHYVTNG-UHFFFAOYSA-N 1 0 391.519 3.708 20 30 GHEDRO COCCC[N@H+](C1CCC(C#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256970314 1043776875 /nfs/dbraw/zinc/77/68/75/1043776875.db2.gz XZOGIJRSTJSPQI-CTWPCTMYSA-N 1 0 379.545 3.807 20 30 GHEDRO N#Cc1ccc(C2CCC(N3CCn4cc(Cn5cccn5)nc4C3)CC2)cc1 ZINC001257018091 1043802796 /nfs/dbraw/zinc/80/27/96/1043802796.db2.gz HFBROCIGWIQDBU-UHFFFAOYSA-N 1 0 386.503 3.542 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])NC3C[C@H](C)O[C@@H](C)C3)c3ccccc32)cc1 ZINC001257086516 1043837038 /nfs/dbraw/zinc/83/70/38/1043837038.db2.gz IBQYOLCYFSBZTR-HOTGVXAUSA-N 1 0 392.503 3.755 20 30 GHEDRO CC[C@H]1C[C@@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257142200 1043891679 /nfs/dbraw/zinc/89/16/79/1043891679.db2.gz KZQGQFBFIOGFED-FPOVZHCZSA-N 1 0 398.551 3.858 20 30 GHEDRO CC(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CCN1C(=O)OC(C)(C)C ZINC001257193776 1043929680 /nfs/dbraw/zinc/92/96/80/1043929680.db2.gz RMBUJOVUQNXQGC-ULQDDVLXSA-N 1 0 380.554 3.685 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccc(Br)cc1O)C(C)C ZINC001292958781 1043965411 /nfs/dbraw/zinc/96/54/11/1043965411.db2.gz ZMZVQXFOOCPNOV-KRWDZBQOSA-N 1 0 395.341 3.512 20 30 GHEDRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001293259901 1044079042 /nfs/dbraw/zinc/07/90/42/1044079042.db2.gz YCNZYJWAVWTHJW-NQIIRXRSSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](CC)C1CC1 ZINC001293302454 1044099161 /nfs/dbraw/zinc/09/91/61/1044099161.db2.gz JCBOAEBRFWTDSV-YLJYHZDGSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001293423605 1044169329 /nfs/dbraw/zinc/16/93/29/1044169329.db2.gz DGXJALCGAJPOEF-VQTJNVASSA-N 1 0 378.524 3.680 20 30 GHEDRO C=C1C[C@@H]2CC(N3CC[N@@H+]4C[C@H](OCc5cccc(C)n5)C[C@H]4C3)C[C@H](C1)C2 ZINC001257890956 1044245614 /nfs/dbraw/zinc/24/56/14/1044245614.db2.gz CMPMTOCBWBDJLV-DFYWIZEISA-N 1 0 381.564 3.800 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCC(CC(=O)OCC)CC1)C2 ZINC001258031103 1044356514 /nfs/dbraw/zinc/35/65/14/1044356514.db2.gz IQWUPOKRAWIRMM-AJTFCVKESA-N 1 0 376.541 3.532 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001258044550 1044368225 /nfs/dbraw/zinc/36/82/25/1044368225.db2.gz QHITXPBEJSTOND-ZSXPUABSSA-N 1 0 376.541 3.839 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001258046747 1044370032 /nfs/dbraw/zinc/37/00/32/1044370032.db2.gz DHADALGDDANFKV-DENIHFKCSA-N 1 0 379.589 3.575 20 30 GHEDRO CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001258224130 1044477701 /nfs/dbraw/zinc/47/77/01/1044477701.db2.gz AMDQNJPSDRFDLL-QUCCMNQESA-N 1 0 392.588 3.704 20 30 GHEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001258228653 1044478815 /nfs/dbraw/zinc/47/88/15/1044478815.db2.gz JFLWCQXUVBJXCM-PMACEKPBSA-N 1 0 382.589 3.902 20 30 GHEDRO CCCCCCCCC[C@H](C)[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001258230993 1044479468 /nfs/dbraw/zinc/47/94/68/1044479468.db2.gz FPHAHPSBAXGHPW-IBGZPJMESA-N 1 0 395.613 3.935 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCN(c3cccc(F)c3)CC1)C2 ZINC001258422361 1044555215 /nfs/dbraw/zinc/55/52/15/1044555215.db2.gz QCRPUQCKXAJAHP-QHCPKHFHSA-N 1 0 385.527 3.828 20 30 GHEDRO [NH2+]=C(N[C@H]1CCC(=O)N(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1 ZINC001258575277 1044650600 /nfs/dbraw/zinc/65/06/00/1044650600.db2.gz YQYDESXCAFVGQE-NRFANRHFSA-N 1 0 387.483 3.832 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001258646761 1044686236 /nfs/dbraw/zinc/68/62/36/1044686236.db2.gz IHOXLCGJNWPTCM-JOCHJYFZSA-N 1 0 389.499 3.706 20 30 GHEDRO C=CCC[C@H](C)[N@H+]1CC2(C[C@H]1C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC2 ZINC001258725420 1044733747 /nfs/dbraw/zinc/73/37/47/1044733747.db2.gz KZCUOPBFFCRRJP-ROUUACIJSA-N 1 0 394.556 3.996 20 30 GHEDRO C=CCC[C@H](C)[NH+]1CCN([C@H](c2ccccc2)c2nc(OC)cc(OC)n2)CC1 ZINC001258730939 1044735970 /nfs/dbraw/zinc/73/59/70/1044735970.db2.gz RBAXARRFGUATIC-PGRDOPGGSA-N 1 0 396.535 3.556 20 30 GHEDRO COc1cc(C[C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc(OC)c1OC ZINC001258859343 1044798863 /nfs/dbraw/zinc/79/88/63/1044798863.db2.gz FOUFYEGYGMBVHB-MRXNPFEDSA-N 1 0 384.476 3.574 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CC2)CC1 ZINC001295464656 1045027344 /nfs/dbraw/zinc/02/73/44/1045027344.db2.gz KFXIIHUZNMUBCY-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001295583306 1045059190 /nfs/dbraw/zinc/05/91/90/1045059190.db2.gz RUJQQLQATIDKLO-UHFFFAOYSA-N 1 0 384.351 3.582 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCCCC2)C1 ZINC001296038513 1045229842 /nfs/dbraw/zinc/22/98/42/1045229842.db2.gz PJCZTSCPHXLYOZ-IBGZPJMESA-N 1 0 392.551 3.927 20 30 GHEDRO C#CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001296580280 1045340232 /nfs/dbraw/zinc/34/02/32/1045340232.db2.gz FBTKTLBYENHNHJ-LJQANCHMSA-N 1 0 376.500 3.980 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)[NH+](C)C)C1CCCCC1 ZINC001298023358 1045678607 /nfs/dbraw/zinc/67/86/07/1045678607.db2.gz CHEZACVUKRIECC-OAQYLSRUSA-N 1 0 392.551 3.926 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCCCCC1)C1CC1 ZINC001298024979 1045679681 /nfs/dbraw/zinc/67/96/81/1045679681.db2.gz OWMQFRHGNNOZQT-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001298071846 1045694062 /nfs/dbraw/zinc/69/40/62/1045694062.db2.gz ZSQQJVVMWUUYAC-QUCCMNQESA-N 1 0 392.551 3.783 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001298677398 1045916416 /nfs/dbraw/zinc/91/64/16/1045916416.db2.gz VBPBSKRYBUPKIJ-UHFFFAOYSA-N 1 0 396.434 3.999 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001300899520 1046231447 /nfs/dbraw/zinc/23/14/47/1046231447.db2.gz FHTHYODZVBVDBT-NRFANRHFSA-N 1 0 383.540 3.835 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300917902 1046240361 /nfs/dbraw/zinc/24/03/61/1046240361.db2.gz PADVIMRFFHGYJT-HXUWFJFHSA-N 1 0 379.618 3.706 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1CC[NH+]1CCCCC1 ZINC001300921611 1046243229 /nfs/dbraw/zinc/24/32/29/1046243229.db2.gz ULBSXIVLMZJUKO-UHFFFAOYSA-N 1 0 381.568 3.952 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001300922003 1046244898 /nfs/dbraw/zinc/24/48/98/1046244898.db2.gz VAZRPXXWJOQDIC-DLBZAZTESA-N 1 0 399.963 3.546 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301085476 1046329050 /nfs/dbraw/zinc/32/90/50/1046329050.db2.gz LEFZKCYYVOEGKI-LJQANCHMSA-N 1 0 387.572 3.798 20 30 GHEDRO C=C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC[N@@H+](C)C(C)C)CC1 ZINC001301088591 1046332409 /nfs/dbraw/zinc/33/24/09/1046332409.db2.gz BDCWWRCWOXNUSL-UHFFFAOYSA-N 1 0 392.551 3.847 20 30 GHEDRO C=CCCCCn1c(COCC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301198365 1046398778 /nfs/dbraw/zinc/39/87/78/1046398778.db2.gz HYWRMPWCYNUOSP-UHFFFAOYSA-N 1 0 375.561 3.626 20 30 GHEDRO C=CCn1c(Cc2ncccc2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001262963755 1046454297 /nfs/dbraw/zinc/45/42/97/1046454297.db2.gz XGRZTVZYFJHFEY-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO C=CCn1c(C[C@H](C)SC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001262965867 1046455506 /nfs/dbraw/zinc/45/55/06/1046455506.db2.gz XYRYAWYKHLHAKT-KRWDZBQOSA-N 1 0 377.602 3.603 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001301289768 1046456192 /nfs/dbraw/zinc/45/61/92/1046456192.db2.gz OWIABHCKMWTEHO-OAQYLSRUSA-N 1 0 390.535 3.882 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001301293307 1046460169 /nfs/dbraw/zinc/46/01/69/1046460169.db2.gz BIRYSINULLQQAK-LEWJYISDSA-N 1 0 395.551 3.631 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC001301324478 1046487785 /nfs/dbraw/zinc/48/77/85/1046487785.db2.gz WQOXVKOAEABTBU-GOSISDBHSA-N 1 0 382.556 3.703 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(CC)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C ZINC001301367340 1046512001 /nfs/dbraw/zinc/51/20/01/1046512001.db2.gz MOUBLWZEVBRLRW-GBESFXJTSA-N 1 0 391.629 3.869 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001301394602 1046523973 /nfs/dbraw/zinc/52/39/73/1046523973.db2.gz PQMMHRSIWGGDLZ-GOSISDBHSA-N 1 0 385.581 3.841 20 30 GHEDRO C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001301436046 1046545129 /nfs/dbraw/zinc/54/51/29/1046545129.db2.gz JNEZISBNNAOMGM-MRXNPFEDSA-N 1 0 385.581 3.992 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)C[C@@H]1C ZINC001263131752 1046577253 /nfs/dbraw/zinc/57/72/53/1046577253.db2.gz CDVSWJULTOKWFM-FHWLQOOXSA-N 1 0 380.540 3.653 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1ccccc1 ZINC001263132290 1046577625 /nfs/dbraw/zinc/57/76/25/1046577625.db2.gz OWJPTKQPVSGBTC-CTNGQTDRSA-N 1 0 392.551 3.798 20 30 GHEDRO C=CCSCCn1c(C2CCCC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301611515 1046622469 /nfs/dbraw/zinc/62/24/69/1046622469.db2.gz DHPNRKXIFPWXLN-GOSISDBHSA-N 1 0 375.586 3.529 20 30 GHEDRO C=CCSCCn1c(CC(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001301611757 1046622669 /nfs/dbraw/zinc/62/26/69/1046622669.db2.gz PWBWFWKBAMMXEI-UHFFFAOYSA-N 1 0 391.629 3.851 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2CC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001263284831 1046678783 /nfs/dbraw/zinc/67/87/83/1046678783.db2.gz NSAULNDYBZKFMH-UHFFFAOYSA-N 1 0 388.585 3.851 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccc(F)c(C#N)c1N ZINC001301821640 1046721799 /nfs/dbraw/zinc/72/17/99/1046721799.db2.gz XIXRQMGDZPSTSS-OAHLLOKOSA-N 1 0 396.466 3.785 20 30 GHEDRO C=C(C)CN(C)c1nnc([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1CCCOCC ZINC001263366064 1046751478 /nfs/dbraw/zinc/75/14/78/1046751478.db2.gz GZYQADQHZQXFKC-LEWJYISDSA-N 1 0 397.567 3.530 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)C#N)[N@H+](C)C1CC1 ZINC001301958777 1046762226 /nfs/dbraw/zinc/76/22/26/1046762226.db2.gz HMKLYGIREWPCDB-HUUCEWRRSA-N 1 0 386.931 3.677 20 30 GHEDRO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC001302516022 1046960535 /nfs/dbraw/zinc/96/05/35/1046960535.db2.gz QGYGCQYUBVXOML-IBGZPJMESA-N 1 0 384.572 3.796 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CCOCC2)ccc1Cl ZINC001304166550 1047604457 /nfs/dbraw/zinc/60/44/57/1047604457.db2.gz ZXFJTAJXAQSWPU-UHFFFAOYSA-N 1 0 397.906 3.576 20 30 GHEDRO Cc1ccc([C@@H](Cn2c(C3CCC3)nnc2N(C)C[C@@H](C)C#N)[NH+](C)C)cc1 ZINC001304276997 1047634146 /nfs/dbraw/zinc/63/41/46/1047634146.db2.gz WVMICEBITRAGRR-FXAWDEMLSA-N 1 0 380.540 3.753 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001304296000 1047637273 /nfs/dbraw/zinc/63/72/73/1047637273.db2.gz MJBAFYFIKVDLDS-SJLPKXTDSA-N 1 0 384.528 3.563 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001304525598 1047700968 /nfs/dbraw/zinc/70/09/68/1047700968.db2.gz OPCDWEHOWLJPPH-GOSISDBHSA-N 1 0 394.567 3.971 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2cc(Cl)ccc2Cl)C3)cc1C#N ZINC001279350316 1047776678 /nfs/dbraw/zinc/77/66/78/1047776678.db2.gz FLLSEZTUIXBIPO-BEFAXECRSA-N 1 0 389.330 3.910 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC001305007273 1047835124 /nfs/dbraw/zinc/83/51/24/1047835124.db2.gz DHARVKBPZCGSSD-ROUUACIJSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C1)[NH+]1CCCCC1 ZINC001305073324 1047874935 /nfs/dbraw/zinc/87/49/35/1047874935.db2.gz JBYIUANURNUCMA-OALUTQOASA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1nccn1C ZINC001279831688 1047962599 /nfs/dbraw/zinc/96/25/99/1047962599.db2.gz MMDPLAJWOCSKQX-QGZVFWFLSA-N 1 0 376.570 3.693 20 30 GHEDRO CS[C@@H](C)CC[NH+]1CC2(C[C@H]2C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280224246 1048133460 /nfs/dbraw/zinc/13/34/60/1048133460.db2.gz QCLWDHAGDFCHHK-BBRMVZONSA-N 1 0 389.590 3.901 20 30 GHEDRO C[C@H](CC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CC(CC#N)C1)CC(C)(C)C ZINC001280270748 1048153358 /nfs/dbraw/zinc/15/33/58/1048153358.db2.gz YXWNXKSULOUFRD-SJLPKXTDSA-N 1 0 377.598 3.628 20 30 GHEDRO CSCCC[NH+]1CC2(C[C@H]2C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280279296 1048158105 /nfs/dbraw/zinc/15/81/05/1048158105.db2.gz VBXXNLDXBMOMNS-HNNXBMFYSA-N 1 0 375.563 3.512 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001305656676 1048204673 /nfs/dbraw/zinc/20/46/73/1048204673.db2.gz QKTOGLZBFCNVFW-TZIWHRDSSA-N 1 0 394.567 3.902 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+](CC)CCC ZINC001286280312 1048250593 /nfs/dbraw/zinc/25/05/93/1048250593.db2.gz XAJKCFRRDVNUQR-QGZVFWFLSA-N 1 0 379.508 3.881 20 30 GHEDRO CC[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001305841844 1048260976 /nfs/dbraw/zinc/26/09/76/1048260976.db2.gz FWPSKJDHZYWSHD-OAQYLSRUSA-N 1 0 392.551 3.613 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286296421 1048260911 /nfs/dbraw/zinc/26/09/11/1048260911.db2.gz OULUXPYNTRYCME-GHTZIAJQSA-N 1 0 397.542 3.586 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001286297885 1048261571 /nfs/dbraw/zinc/26/15/71/1048261571.db2.gz YOCQXNVBQCNCLK-TZIWHRDSSA-N 1 0 393.579 3.989 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286327936 1048274197 /nfs/dbraw/zinc/27/41/97/1048274197.db2.gz KUPLUWACHSTHHH-RTBURBONSA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286350648 1048282564 /nfs/dbraw/zinc/28/25/64/1048282564.db2.gz IOPAPRWBULCXBR-ROUUACIJSA-N 1 0 399.970 3.855 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001286363632 1048290675 /nfs/dbraw/zinc/29/06/75/1048290675.db2.gz QIIPDOZOYDNSOG-SFTDATJTSA-N 1 0 379.552 3.764 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001305929367 1048319198 /nfs/dbraw/zinc/31/91/98/1048319198.db2.gz UQQAFQOSBYDPKJ-UHFFFAOYSA-N 1 0 390.535 3.509 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](C)CC)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001286450154 1048329030 /nfs/dbraw/zinc/32/90/30/1048329030.db2.gz DFQLBTJMQBEWER-SFHVURJKSA-N 1 0 380.540 3.563 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CC(C)(C)C[NH+](C)C ZINC001286520377 1048347398 /nfs/dbraw/zinc/34/73/98/1048347398.db2.gz ICZMFOJUZSSGHN-HSZRJFAPSA-N 1 0 379.552 3.833 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286624714 1048394460 /nfs/dbraw/zinc/39/44/60/1048394460.db2.gz AFGPIXSLIAZZCR-UHFFFAOYSA-N 1 0 386.931 3.547 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286630503 1048398958 /nfs/dbraw/zinc/39/89/58/1048398958.db2.gz QGNJJGPNHJDXMW-UHFFFAOYSA-N 1 0 387.959 3.850 20 30 GHEDRO C=CCCCCn1c(-c2ccccc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001286685324 1048446519 /nfs/dbraw/zinc/44/65/19/1048446519.db2.gz ULNDMKDXUODNPG-BGYRXZFFSA-N 1 0 397.567 3.847 20 30 GHEDRO C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001286708718 1048466098 /nfs/dbraw/zinc/46/60/98/1048466098.db2.gz XXUQOKHHKRLMSY-LJQANCHMSA-N 1 0 397.567 3.631 20 30 GHEDRO C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286709504 1048467733 /nfs/dbraw/zinc/46/77/33/1048467733.db2.gz WJOQXGVDLBJIJK-UHFFFAOYSA-N 1 0 383.540 3.505 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001286720201 1048476104 /nfs/dbraw/zinc/47/61/04/1048476104.db2.gz QHVXWSXZFZOKJU-SFHVURJKSA-N 1 0 383.540 3.840 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[N@H+]1CCCC[C@H]1C ZINC001286720584 1048477054 /nfs/dbraw/zinc/47/70/54/1048477054.db2.gz JEALYXXUBDSGOL-QGZVFWFLSA-N 1 0 397.523 3.561 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1CCC1CC[NH+](CC)CC1 ZINC001286720571 1048477287 /nfs/dbraw/zinc/47/72/87/1048477287.db2.gz LYVVSHMZDHVQLR-UHFFFAOYSA-N 1 0 383.540 3.698 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286722900 1048479608 /nfs/dbraw/zinc/47/96/08/1048479608.db2.gz BTDRUJOIPLZKIQ-ZWKOTPCHSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001286723473 1048481093 /nfs/dbraw/zinc/48/10/93/1048481093.db2.gz PSFLATJSANEBOE-OALUTQOASA-N 1 0 387.503 3.584 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286724518 1048482424 /nfs/dbraw/zinc/48/24/24/1048482424.db2.gz JNAWMLCPVLPWSF-NRFANRHFSA-N 1 0 395.551 3.590 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001286729515 1048485661 /nfs/dbraw/zinc/48/56/61/1048485661.db2.gz WSJCXSFIOBVOND-IEBWSBKVSA-N 1 0 383.540 3.881 20 30 GHEDRO C=CCN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCC[N@H+]1CC ZINC001286729760 1048487297 /nfs/dbraw/zinc/48/72/97/1048487297.db2.gz AIXJWWARSGHPGB-OAQYLSRUSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)C[NH+]1CCCCC1)C1CC1 ZINC001286736007 1048494386 /nfs/dbraw/zinc/49/43/86/1048494386.db2.gz WQXOCXAGNJGAFK-LJQANCHMSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCCC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001286757702 1048510481 /nfs/dbraw/zinc/51/04/81/1048510481.db2.gz UGLWIKHKULBSRS-UHFFFAOYSA-N 1 0 399.583 3.759 20 30 GHEDRO C=CCN(CCOC)c1nnc(C2CCCC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001286773741 1048521951 /nfs/dbraw/zinc/52/19/51/1048521951.db2.gz RBHFNGKWBSHUEJ-UHFFFAOYSA-N 1 0 389.588 3.697 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286964043 1048556364 /nfs/dbraw/zinc/55/63/64/1048556364.db2.gz ABTRHFHWZRQAJS-YJBOKZPZSA-N 1 0 396.470 3.576 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001286964876 1048557238 /nfs/dbraw/zinc/55/72/38/1048557238.db2.gz FFIMNXKTCORNRR-DLBZAZTESA-N 1 0 380.540 3.881 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286966072 1048557402 /nfs/dbraw/zinc/55/74/02/1048557402.db2.gz PIWLQKAXHCNRQB-FXAWDEMLSA-N 1 0 384.572 3.939 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001306320265 1048565693 /nfs/dbraw/zinc/56/56/93/1048565693.db2.gz SLTXYBMOVLXXCK-AZUAARDMSA-N 1 0 380.540 3.805 20 30 GHEDRO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001287671475 1048874109 /nfs/dbraw/zinc/87/41/09/1048874109.db2.gz RTIRFAPKVRJYSH-BJKOFHAPSA-N 1 0 390.527 3.973 20 30 GHEDRO N#Cc1cnc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c(F)c1 ZINC001306941312 1048970197 /nfs/dbraw/zinc/97/01/97/1048970197.db2.gz FSRWSUSEAUVHPQ-UHFFFAOYSA-N 1 0 388.450 3.553 20 30 GHEDRO N#Cc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ncc1Br ZINC001306959300 1048980318 /nfs/dbraw/zinc/98/03/18/1048980318.db2.gz RJFUKDQHBPNKCQ-MRXNPFEDSA-N 1 0 385.309 3.692 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](Nc2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC001306968690 1048984508 /nfs/dbraw/zinc/98/45/08/1048984508.db2.gz AASBOPBVKXGEAM-WMLDXEAASA-N 1 0 380.330 3.870 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001288507508 1049117251 /nfs/dbraw/zinc/11/72/51/1049117251.db2.gz NLKGIDDQFZJQQL-MAUKXSAKSA-N 1 0 386.519 3.756 20 30 GHEDRO C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CCN1c1cc[nH+]cc1 ZINC001307196945 1049132727 /nfs/dbraw/zinc/13/27/27/1049132727.db2.gz IKGQIHDVSXWNOG-GFCCVEGCSA-N 1 0 375.245 3.570 20 30 GHEDRO CCCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1snc(C)c1C#N ZINC001289083846 1049317464 /nfs/dbraw/zinc/31/74/64/1049317464.db2.gz JNCLQCVEHAGHRV-SFHVURJKSA-N 1 0 382.533 3.978 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CC(=O)NC(=O)NC2CCCC2)C(C)(C)C)cc1 ZINC001307566918 1049407611 /nfs/dbraw/zinc/40/76/11/1049407611.db2.gz GVZUPQFOILVWFC-UHFFFAOYSA-N 1 0 387.524 3.620 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC001307764038 1049578018 /nfs/dbraw/zinc/57/80/18/1049578018.db2.gz VLPWHVAEIQZFCK-QFUCXCTJSA-N 1 0 380.488 3.780 20 30 GHEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307828883 1049620145 /nfs/dbraw/zinc/62/01/45/1049620145.db2.gz NYBLLLDWTONHJY-SLFFLAALSA-N 1 0 392.515 3.835 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290144581 1049744679 /nfs/dbraw/zinc/74/46/79/1049744679.db2.gz BOKJHQUKOUJMGS-CTNGQTDRSA-N 1 0 396.583 3.892 20 30 GHEDRO C=CC1(CC(=O)NCCC[N@@H+](C)C2CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001290238109 1049771917 /nfs/dbraw/zinc/77/19/17/1049771917.db2.gz GFSMWWPGDZHJJR-UHFFFAOYSA-N 1 0 393.572 3.570 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC001308041147 1049791677 /nfs/dbraw/zinc/79/16/77/1049791677.db2.gz BTCDNOMTFBQJRJ-UHFFFAOYSA-N 1 0 388.943 3.881 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC001290473597 1049849190 /nfs/dbraw/zinc/84/91/90/1049849190.db2.gz ZGCVUQNZIZAZOW-INIZCTEOSA-N 1 0 381.904 3.723 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)c1C ZINC001308151543 1049888407 /nfs/dbraw/zinc/88/84/07/1049888407.db2.gz MZFSBEMYLUKJJY-GMAHTHKFSA-N 1 0 396.579 3.745 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC001290789651 1049924354 /nfs/dbraw/zinc/92/43/54/1049924354.db2.gz XNZRUDFRGZDVJX-UHFFFAOYSA-N 1 0 383.442 3.693 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)/C=C\c2ccc(F)cc2)C1 ZINC001290890829 1049944712 /nfs/dbraw/zinc/94/47/12/1049944712.db2.gz HEHLDLHYALHRBC-GFBZKKKVSA-N 1 0 394.490 3.956 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cc(OC)c1O ZINC001308335599 1049951637 /nfs/dbraw/zinc/95/16/37/1049951637.db2.gz NFIVGAHYWIFLFV-INIZCTEOSA-N 1 0 389.521 3.729 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC001308369715 1049960653 /nfs/dbraw/zinc/96/06/53/1049960653.db2.gz QJLXRIADSHNRPT-SFHVURJKSA-N 1 0 387.321 3.878 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c2c1 ZINC001306935266 1049972574 /nfs/dbraw/zinc/97/25/74/1049972574.db2.gz MMDMQSSRKFUNAE-SOLBZPMBSA-N 1 0 394.519 3.965 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@H]1c1ccc(F)cc1 ZINC001328707859 1050600038 /nfs/dbraw/zinc/60/00/38/1050600038.db2.gz CNTKGGDDLRKMBS-FDFHNCONSA-N 1 0 392.478 3.819 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001329136367 1050730685 /nfs/dbraw/zinc/73/06/85/1050730685.db2.gz YXUZMXNENKTPAL-HNNXBMFYSA-N 1 0 391.475 3.522 20 30 GHEDRO CN1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140975 1050731876 /nfs/dbraw/zinc/73/18/76/1050731876.db2.gz IRCYNUCAQCDNFZ-UTKZUKDTSA-N 1 0 382.533 3.621 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC001310019378 1051102320 /nfs/dbraw/zinc/10/23/20/1051102320.db2.gz ONSXFWHWOCJGAX-MAUKXSAKSA-N 1 0 389.931 3.638 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 ZINC001310019900 1051102748 /nfs/dbraw/zinc/10/27/48/1051102748.db2.gz NBIHZIATERVNMJ-UHFFFAOYSA-N 1 0 394.441 3.525 20 30 GHEDRO CCc1ccc([C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2cccc(F)c2)cc1 ZINC001330880466 1051138296 /nfs/dbraw/zinc/13/82/96/1051138296.db2.gz RZXKHEJJVFJSQM-VIXZBYKASA-N 1 0 391.490 3.733 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)c1 ZINC001310302662 1051279336 /nfs/dbraw/zinc/27/93/36/1051279336.db2.gz HAEOSZFEGUIHBE-NRFANRHFSA-N 1 0 377.488 3.827 20 30 GHEDRO Cc1nsc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC001310695735 1051536505 /nfs/dbraw/zinc/53/65/05/1051536505.db2.gz BBLNFTQILJOYPG-FGTMMUONSA-N 1 0 395.532 3.745 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001311180295 1051924723 /nfs/dbraw/zinc/92/47/23/1051924723.db2.gz MZSAGLIISRRYDH-UHFFFAOYSA-N 1 0 390.409 3.880 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@H](C)N3CCc4sccc4C3)cc2n1 ZINC001311237785 1051959005 /nfs/dbraw/zinc/95/90/05/1051959005.db2.gz OALFGZXZBCBNKT-HNNXBMFYSA-N 1 0 395.532 3.852 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC001311351020 1052048435 /nfs/dbraw/zinc/04/84/35/1052048435.db2.gz XQFLGNLHHGJHBP-PKTZIBPZSA-N 1 0 391.515 3.896 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001311430851 1052136978 /nfs/dbraw/zinc/13/69/78/1052136978.db2.gz VHNADDNTWAPJJV-LJQANCHMSA-N 1 0 382.552 3.959 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)CC1 ZINC001335769912 1052170056 /nfs/dbraw/zinc/17/00/56/1052170056.db2.gz FFAXCSHRSFLYKC-UHFFFAOYSA-N 1 0 378.520 3.893 20 30 GHEDRO Cc1cc(N=Cc2cc(Br)ccc2O)ccc1N1CC[NH+](C)CC1 ZINC001337084183 1052394668 /nfs/dbraw/zinc/39/46/68/1052394668.db2.gz GGHZZPYUNRBISM-UHFFFAOYSA-N 1 0 388.309 3.966 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC001311797470 1052405399 /nfs/dbraw/zinc/40/53/99/1052405399.db2.gz OSDMKZLBAUOYFL-GOSISDBHSA-N 1 0 377.488 3.937 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001312073946 1052558349 /nfs/dbraw/zinc/55/83/49/1052558349.db2.gz SQAJANXTCAOWOY-QFIPXVFZSA-N 1 0 378.520 3.859 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001312322635 1052695464 /nfs/dbraw/zinc/69/54/64/1052695464.db2.gz CWXOFWGUHMFGNQ-PKTZIBPZSA-N 1 0 375.516 3.961 20 30 GHEDRO C#CCN1CCC[C@@H](NC(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)C1 ZINC001313283141 1053005453 /nfs/dbraw/zinc/00/54/53/1053005453.db2.gz XKDGWPHNSAWSRO-JOCHJYFZSA-N 1 0 391.515 3.505 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342346937 1053120768 /nfs/dbraw/zinc/12/07/68/1053120768.db2.gz ZFYCZUOZQOIRKD-LJQANCHMSA-N 1 0 375.561 3.652 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)C#N)C(C)C ZINC001313807984 1053240283 /nfs/dbraw/zinc/24/02/83/1053240283.db2.gz GXAWKEPBCIWRAK-MRXNPFEDSA-N 1 0 388.947 3.925 20 30 GHEDRO CC[NH+]1CCC(CCn2c(N(CCC#N)CC3CC3)nnc2C(C)(C)C)CC1 ZINC001313882316 1053270674 /nfs/dbraw/zinc/27/06/74/1053270674.db2.gz VWPPAKQWFSLVQZ-UHFFFAOYSA-N 1 0 386.588 3.828 20 30 GHEDRO CCn1c(N2CCC[C@@H](CC#N)C2)nnc1[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001342717586 1053318530 /nfs/dbraw/zinc/31/85/30/1053318530.db2.gz VUJGALGRSHBLME-REWPJTCUSA-N 1 0 392.551 3.592 20 30 GHEDRO CCn1c(-c2coc(C#N)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001342765483 1053344431 /nfs/dbraw/zinc/34/44/31/1053344431.db2.gz LBOHENBKTPZREW-UHFFFAOYSA-N 1 0 382.512 3.522 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001342918860 1053433790 /nfs/dbraw/zinc/43/37/90/1053433790.db2.gz PREVNHANBPXSSF-IEBWSBKVSA-N 1 0 399.539 3.744 20 30 GHEDRO CCn1c(N2CCC(C[N@H+](C)C(C)C)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001342920476 1053435850 /nfs/dbraw/zinc/43/58/50/1053435850.db2.gz FUOZDAIJTFLKNZ-QFIPXVFZSA-N 1 0 384.572 3.580 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001342964595 1053462975 /nfs/dbraw/zinc/46/29/75/1053462975.db2.gz FEEXTMJXJHHLCD-IBGZPJMESA-N 1 0 392.551 3.830 20 30 GHEDRO Cc1cc([C@H]([NH3+])CC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc(Cl)n1 ZINC001342990610 1053482165 /nfs/dbraw/zinc/48/21/65/1053482165.db2.gz WGAXMZFUSMERGJ-LJQANCHMSA-N 1 0 382.895 3.711 20 30 GHEDRO CCn1c(N(C)C[C@H](C)C#N)nnc1[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001343003189 1053491133 /nfs/dbraw/zinc/49/11/33/1053491133.db2.gz XOPRQPRAZWGQNT-LZJOCLMNSA-N 1 0 384.503 3.526 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(C2CC2)nnc1N1CCC(CC#N)CC1)c1ccccc1 ZINC001314648271 1053548284 /nfs/dbraw/zinc/54/82/84/1053548284.db2.gz FQRXWUWEYKZAJP-FQEVSTJZSA-N 1 0 378.524 3.588 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC001314649396 1053550302 /nfs/dbraw/zinc/55/03/02/1053550302.db2.gz AUDBCPXRUGJPHN-PGRDOPGGSA-N 1 0 398.530 3.612 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(N2CC[C@@](F)(C#N)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314652055 1053551692 /nfs/dbraw/zinc/55/16/92/1053551692.db2.gz CCZHXXIBDNXOAX-LAUBAEHRSA-N 1 0 390.551 3.528 20 30 GHEDRO CN(OC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCC1 ZINC001314890766 1053663559 /nfs/dbraw/zinc/66/35/59/1053663559.db2.gz BRPWFWCEJDBGQZ-UHFFFAOYSA-N 1 0 394.523 3.613 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343456310 1053782686 /nfs/dbraw/zinc/78/26/86/1053782686.db2.gz DLPDCKGDHXVGFL-INDMIFKZSA-N 1 0 389.588 3.897 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(C#N)CCCC1 ZINC001343534750 1053850473 /nfs/dbraw/zinc/85/04/73/1053850473.db2.gz NPCOHLVJVQPNQJ-ICSRJNTNSA-N 1 0 394.567 3.643 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001343716896 1053983455 /nfs/dbraw/zinc/98/34/55/1053983455.db2.gz KYIPSXKVQPWGMR-VQTJNVASSA-N 1 0 382.556 3.574 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[NH+](C(C)(C)C)CC2)c1=S ZINC001317910167 1054304508 /nfs/dbraw/zinc/30/45/08/1054304508.db2.gz KMVHQKSUUGWXLT-UHFFFAOYSA-N 1 0 385.581 3.949 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1 ZINC001318120663 1054427597 /nfs/dbraw/zinc/42/75/97/1054427597.db2.gz ODABKZQVROCXQU-RNLRLKOUSA-N 1 0 379.504 3.962 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Nc2ccccc2)CC1)C(C)C ZINC001318162941 1054463705 /nfs/dbraw/zinc/46/37/05/1054463705.db2.gz LIMOPUDLAXAXNY-JOCHJYFZSA-N 1 0 384.568 3.971 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001318454744 1054651403 /nfs/dbraw/zinc/65/14/03/1054651403.db2.gz LOTIQYVGFMEYRW-OALUTQOASA-N 1 0 379.464 3.740 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)cc1OC ZINC001318502400 1054683064 /nfs/dbraw/zinc/68/30/64/1054683064.db2.gz GISTUSGRNZEWEF-IAGOWNOFSA-N 1 0 397.357 3.985 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cccs1 ZINC001344770417 1054732689 /nfs/dbraw/zinc/73/26/89/1054732689.db2.gz BBADBAUOITZJKC-MRXNPFEDSA-N 1 0 386.569 3.716 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC001318595455 1054739106 /nfs/dbraw/zinc/73/91/06/1054739106.db2.gz AOBDBXNGJOFSLI-QFIPXVFZSA-N 1 0 391.515 3.904 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(CC#N)cc3)n2CC2CC2)CC1 ZINC001345150415 1054921024 /nfs/dbraw/zinc/92/10/24/1054921024.db2.gz FQWIDCQIBSQBNF-UHFFFAOYSA-N 1 0 392.551 3.732 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 ZINC001318950805 1054961333 /nfs/dbraw/zinc/96/13/33/1054961333.db2.gz AMZNNVGHINMGNH-UHFFFAOYSA-N 1 0 383.879 3.745 20 30 GHEDRO C=CCn1cnn(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1=S ZINC001319326615 1055184290 /nfs/dbraw/zinc/18/42/90/1055184290.db2.gz MGXDUTDPAXZCEA-NRFANRHFSA-N 1 0 383.565 3.546 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1 ZINC001320038282 1055614643 /nfs/dbraw/zinc/61/46/43/1055614643.db2.gz OVPPEFBEMDSASH-AKFKNWHVSA-N 1 0 381.516 3.739 20 30 GHEDRO C=CCO[C@@H]1CC[N@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC001320159051 1055681817 /nfs/dbraw/zinc/68/18/17/1055681817.db2.gz CWMBZHGKRNUKDX-JOCHJYFZSA-N 1 0 378.516 3.602 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)o1 ZINC001320325793 1055755011 /nfs/dbraw/zinc/75/50/11/1055755011.db2.gz AVANQJBTLJWCQS-QGZVFWFLSA-N 1 0 376.416 3.589 20 30 GHEDRO C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+](C)C1CCCCC1 ZINC001300459710 1056172097 /nfs/dbraw/zinc/17/20/97/1056172097.db2.gz HFQOERIGYVFFOE-UHFFFAOYSA-N 1 0 390.535 3.760 20 30 GHEDRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000848406111 1057069268 /nfs/dbraw/zinc/06/92/68/1057069268.db2.gz AYZLQNUTHVEJEC-JKSUJKDBSA-N 1 0 379.936 3.576 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001324269915 1057101866 /nfs/dbraw/zinc/10/18/66/1057101866.db2.gz HNGFNHQBLBROJM-HXUWFJFHSA-N 1 0 397.482 3.800 20 30 GHEDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1O ZINC000848535282 1057156713 /nfs/dbraw/zinc/15/67/13/1057156713.db2.gz XXLZOJBVQOAPOC-LBPRGKRZSA-N 1 0 391.265 3.916 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)ccc1C#N ZINC000848550987 1057172347 /nfs/dbraw/zinc/17/23/47/1057172347.db2.gz AZGWHTWLRZYWMC-LLVKDONJSA-N 1 0 391.265 3.894 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001355864386 1057297908 /nfs/dbraw/zinc/29/79/08/1057297908.db2.gz UZMDKOLYGICXPR-BJLQDIEVSA-N 1 0 387.572 3.652 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc2F)c1 ZINC000848900845 1057407358 /nfs/dbraw/zinc/40/73/58/1057407358.db2.gz LCRWOOBQJOONHY-OAQYLSRUSA-N 1 0 395.478 3.942 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@@H](C)O)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001356176187 1057418729 /nfs/dbraw/zinc/41/87/29/1057418729.db2.gz OJDQSMHNCCVICL-QGZVFWFLSA-N 1 0 383.540 3.541 20 30 GHEDRO CCOc1ccccc1Oc1ccc(CNC(NCc2ccco2)=[NH+]C)cn1 ZINC000849050513 1057559397 /nfs/dbraw/zinc/55/93/97/1057559397.db2.gz VGZFTRXBZLTEAB-UHFFFAOYSA-N 1 0 380.448 3.731 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cc(OC)c(O)c(OC)c1 ZINC000849067651 1057577873 /nfs/dbraw/zinc/57/78/73/1057577873.db2.gz SQJPMBKSISWHIK-UHFFFAOYSA-N 1 0 385.508 3.753 20 30 GHEDRO Cc1ccc(C[NH+]=C(NCc2ccc(CC(N)=O)cc2)Nc2ccccc2)cc1 ZINC000849085097 1057587960 /nfs/dbraw/zinc/58/79/60/1057587960.db2.gz YDPJODFNTGDHKU-UHFFFAOYSA-N 1 0 386.499 3.781 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@H]2C1 ZINC001337819383 1058281876 /nfs/dbraw/zinc/28/18/76/1058281876.db2.gz FTFLWAPCZOEOGN-SZVBFZGTSA-N 1 0 384.524 3.930 20 30 GHEDRO C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c(C#N)cc2C1 ZINC001440103690 1058425425 /nfs/dbraw/zinc/42/54/25/1058425425.db2.gz QOXVDZBOBCDOTL-IEBWSBKVSA-N 1 0 388.515 3.929 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001338621415 1058687641 /nfs/dbraw/zinc/68/76/41/1058687641.db2.gz ISZAZFHWRNEXQZ-IEBWSBKVSA-N 1 0 387.597 3.528 20 30 GHEDRO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001338877351 1058848596 /nfs/dbraw/zinc/84/85/96/1058848596.db2.gz AYGORTMZMNOFDI-UHFFFAOYSA-N 1 0 398.555 3.766 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001442078150 1058912706 /nfs/dbraw/zinc/91/27/06/1058912706.db2.gz DCMNBRNNRKUBOR-SPEDKVCISA-N 1 0 395.588 3.863 20 30 GHEDRO C=CCn1c(-c2cc(-c3ccco3)on2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001339023408 1058928013 /nfs/dbraw/zinc/92/80/13/1058928013.db2.gz YVIPUGVISWCNHH-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO C=CCn1c([C@H](C)c2ccccn2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339042513 1058936214 /nfs/dbraw/zinc/93/62/14/1058936214.db2.gz ZRLKMDRXMPTBQU-GOSISDBHSA-N 1 0 382.556 3.568 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F)C(C)C ZINC001443427648 1059128633 /nfs/dbraw/zinc/12/86/33/1059128633.db2.gz NCTSWCHQVLJVOC-QUCCMNQESA-N 1 0 390.474 3.911 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001339612333 1059345555 /nfs/dbraw/zinc/34/55/55/1059345555.db2.gz CGLDSBWOAAQTRA-MOPGFXCFSA-N 1 0 380.540 3.806 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCC2)CC1 ZINC001339684214 1059387880 /nfs/dbraw/zinc/38/78/80/1059387880.db2.gz ISFFFEWIFDZUKJ-LJQANCHMSA-N 1 0 393.572 3.617 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC(C)(C)CC1 ZINC001339918363 1059556880 /nfs/dbraw/zinc/55/68/80/1059556880.db2.gz PRYQYIPXYJERJF-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO Cn1c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001339933416 1059567130 /nfs/dbraw/zinc/56/71/30/1059567130.db2.gz JDIQZLVSHBRREH-XXBNENTESA-N 1 0 396.583 3.633 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001340602079 1059991677 /nfs/dbraw/zinc/99/16/77/1059991677.db2.gz YKVCFSWONRBRCS-UHFFFAOYSA-N 1 0 394.567 3.663 20 30 GHEDRO C=CCn1c(Cc2cccc3cnccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340611767 1059993980 /nfs/dbraw/zinc/99/39/80/1059993980.db2.gz DUMMUMAZEPQRSE-UHFFFAOYSA-N 1 0 390.535 3.570 20 30 GHEDRO C=CCn1c(Cc2ccnc(C)c2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001340670095 1060033037 /nfs/dbraw/zinc/03/30/37/1060033037.db2.gz IRACCIVYALGOJV-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(Cl)c(Br)cc1OC ZINC001448874495 1060289236 /nfs/dbraw/zinc/28/92/36/1060289236.db2.gz RFMDHAHZZZVFHE-UHFFFAOYSA-N 1 0 389.721 3.691 20 30 GHEDRO C[C@H](c1ccc(NC(=O)N(C)Cc2cc(C#N)cs2)cc1)N1CCOCC1 ZINC001341006731 1060326113 /nfs/dbraw/zinc/32/61/13/1060326113.db2.gz FCKPYUKDLQGTBA-OAHLLOKOSA-N 1 0 384.505 3.677 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)C1 ZINC001341145074 1060447901 /nfs/dbraw/zinc/44/79/01/1060447901.db2.gz LMOISPZTCMSLNA-TZIWHRDSSA-N 1 0 394.567 3.902 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)C1 ZINC001341145067 1060447968 /nfs/dbraw/zinc/44/79/68/1060447968.db2.gz LMOISPZTCMSLNA-FPOVZHCZSA-N 1 0 394.567 3.902 20 30 GHEDRO C=CCC1(O)CCN(c2nnc([C@H]3CCCC[N@@H+]3C3CCCC3)n2CC)CC1 ZINC001341210876 1060500255 /nfs/dbraw/zinc/50/02/55/1060500255.db2.gz RKSNDSZDKVQGTJ-LJQANCHMSA-N 1 0 387.572 3.675 20 30 GHEDRO C=CCn1c([C@@H]2CC(C)=NN=C2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342007973 1060994097 /nfs/dbraw/zinc/99/40/97/1060994097.db2.gz UQOPVHCHRKJQKN-LJQANCHMSA-N 1 0 397.571 3.633 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001342035811 1061011327 /nfs/dbraw/zinc/01/13/27/1061011327.db2.gz OMHIQQLEGLYNGW-ZWKOTPCHSA-N 1 0 389.588 3.836 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001342039807 1061015664 /nfs/dbraw/zinc/01/56/64/1061015664.db2.gz XVFQLWOSUHVQOO-PMACEKPBSA-N 1 0 384.572 3.820 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001342200889 1061128735 /nfs/dbraw/zinc/12/87/35/1061128735.db2.gz IPBNNHDLOSXWJV-AWEZNQCLSA-N 1 0 392.960 3.696 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001346549037 1061674436 /nfs/dbraw/zinc/67/44/36/1061674436.db2.gz SMWYQLGZNNFEER-FMWKFLBASA-N 1 0 390.535 3.580 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CCC[C@H](C2CCOCC2)C1 ZINC001346627350 1061744643 /nfs/dbraw/zinc/74/46/43/1061744643.db2.gz LSEPEXSTTSXSID-VQTJNVASSA-N 1 0 387.572 3.654 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NOc1cccc(C#N)c1 ZINC001454682299 1061909022 /nfs/dbraw/zinc/90/90/22/1061909022.db2.gz LMUYPIVGSVXADD-QGZVFWFLSA-N 1 0 379.460 3.535 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)n2CC2CC2)CC1 ZINC001346851105 1061937560 /nfs/dbraw/zinc/93/75/60/1061937560.db2.gz QFOXOLBJMQWPFR-RTWAWAEBSA-N 1 0 377.536 3.657 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(CCCCC#N)n2CC2CC2)C1 ZINC001346862192 1061944016 /nfs/dbraw/zinc/94/40/16/1061944016.db2.gz ODDFJOOHZJZZMV-OAQYLSRUSA-N 1 0 392.551 3.635 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2[nH]c3ccccc3c2C#N)cc1 ZINC001545890456 1062541547 /nfs/dbraw/zinc/54/15/47/1062541547.db2.gz BPHHJDXXDYKCCQ-NRFANRHFSA-N 1 0 388.471 3.615 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(c2nnc(-c3coc(C#N)c3)n2CC2CC2)CC1 ZINC001347722375 1062596343 /nfs/dbraw/zinc/59/63/43/1062596343.db2.gz YKHQZRAFJIEONB-UHFFFAOYSA-N 1 0 394.523 3.665 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCN(c2nnc(CC(C)(C)C#N)n2CC2CC2)CC1 ZINC001348134634 1062932221 /nfs/dbraw/zinc/93/22/21/1062932221.db2.gz OAUPYUFMNINCQZ-GOSISDBHSA-N 1 0 392.551 3.664 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC([NH2+]C4CCOCC4)CC3)c2c1 ZINC001348743326 1063305684 /nfs/dbraw/zinc/30/56/84/1063305684.db2.gz WUJZBUMXOVMLAT-UHFFFAOYSA-N 1 0 378.520 3.967 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCCc2ccccc2Oc2ccc(C)cc2)CC1 ZINC001436728538 1063627631 /nfs/dbraw/zinc/62/76/31/1063627631.db2.gz XSRAAOBVCCQTIU-UHFFFAOYSA-N 1 0 376.500 3.791 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)c1cc(C(F)(F)F)cc(C#N)n1 ZINC001458227245 1063675994 /nfs/dbraw/zinc/67/59/94/1063675994.db2.gz DMIHMSDQHHADKY-UHFFFAOYSA-N 1 0 376.426 3.973 20 30 GHEDRO N#Cc1cc2c(n(C/C=C\c3ccccc3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC001459179169 1064014904 /nfs/dbraw/zinc/01/49/04/1064014904.db2.gz JRMVHHIOJTXKLU-GHXNOFRVSA-N 1 0 381.479 3.992 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]CCNC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC001350582191 1064132252 /nfs/dbraw/zinc/13/22/52/1064132252.db2.gz BSMQUPHRPAJMEC-UHFFFAOYSA-N 1 0 387.405 3.780 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001459696866 1064174834 /nfs/dbraw/zinc/17/48/34/1064174834.db2.gz VWGACLFVNCCBDQ-ZWKOTPCHSA-N 1 0 389.565 3.963 20 30 GHEDRO Cc1ccc(N(C)[C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC001459811265 1064227430 /nfs/dbraw/zinc/22/74/30/1064227430.db2.gz BAKJEICPPUAKGS-XZOQPEGZSA-N 1 0 388.515 3.573 20 30 GHEDRO C[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC12CCC2 ZINC001459815606 1064229139 /nfs/dbraw/zinc/22/91/39/1064229139.db2.gz CWEPFIWSCLVWKZ-INIZCTEOSA-N 1 0 378.438 3.685 20 30 GHEDRO CCC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459817558 1064230457 /nfs/dbraw/zinc/23/04/57/1064230457.db2.gz HBCILEOGGCGILE-HSZRJFAPSA-N 1 0 390.531 3.873 20 30 GHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001463589741 1064484124 /nfs/dbraw/zinc/48/41/24/1064484124.db2.gz YFKKMZVGVQPZAR-UHFFFAOYSA-N 1 0 395.956 3.536 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464098760 1064820909 /nfs/dbraw/zinc/82/09/09/1064820909.db2.gz AQWFOSCVUOHJSD-SFHVURJKSA-N 1 0 398.304 3.715 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(CNc2ncccc2C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC001464191161 1064899890 /nfs/dbraw/zinc/89/98/90/1064899890.db2.gz AKRRONKAEBSAGX-MSOLQXFVSA-N 1 0 391.519 3.558 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000847280582 1064981953 /nfs/dbraw/zinc/98/19/53/1064981953.db2.gz ZQGASGOBDUHPMB-LJQANCHMSA-N 1 0 375.516 3.970 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001464566819 1065086470 /nfs/dbraw/zinc/08/64/70/1065086470.db2.gz ZYVYRRBXNXFTDE-UHFFFAOYSA-N 1 0 376.566 3.881 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(N2CCC(C)CC2)nc1)C(C)C ZINC001464867596 1065251602 /nfs/dbraw/zinc/25/16/02/1065251602.db2.gz CBBAQNFXLHTYIY-NRFANRHFSA-N 1 0 384.568 3.746 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2)C(C)C ZINC001464874117 1065254592 /nfs/dbraw/zinc/25/45/92/1065254592.db2.gz YFZPGXKDQUGCKY-FQEVSTJZSA-N 1 0 385.552 3.731 20 30 GHEDRO CN(CCC[NH2+]Cc1cc(C#N)ccc1Br)C(=O)OC(C)(C)C ZINC001200204571 1065578237 /nfs/dbraw/zinc/57/82/37/1065578237.db2.gz SWSWQSYMRNMCJZ-UHFFFAOYSA-N 1 0 382.302 3.667 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC001465396599 1065586333 /nfs/dbraw/zinc/58/63/33/1065586333.db2.gz LEDDUMAMLGMIQI-UHFFFAOYSA-N 1 0 385.305 3.820 20 30 GHEDRO CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC001465516102 1065683038 /nfs/dbraw/zinc/68/30/38/1065683038.db2.gz BQXHTAXQXOGJLB-IBGZPJMESA-N 1 0 396.466 3.834 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)CC1 ZINC001353276794 1065826485 /nfs/dbraw/zinc/82/64/85/1065826485.db2.gz UNSOZMXVMSBAHV-GOSISDBHSA-N 1 0 387.572 3.568 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001300295467 1065945848 /nfs/dbraw/zinc/94/58/48/1065945848.db2.gz IHMDCDMIFWCOFJ-RXVVDRJESA-N 1 0 388.519 3.568 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001300302635 1065956945 /nfs/dbraw/zinc/95/69/45/1065956945.db2.gz DAHJLFYFXVMVHF-OXJNMPFZSA-N 1 0 383.515 3.836 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001300317304 1065979628 /nfs/dbraw/zinc/97/96/28/1065979628.db2.gz OPEDGUIEGVIKHE-GOSISDBHSA-N 1 0 379.552 3.579 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001300317305 1065979894 /nfs/dbraw/zinc/97/98/94/1065979894.db2.gz OPEDGUIEGVIKHE-SFHVURJKSA-N 1 0 379.552 3.579 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001300319511 1065982969 /nfs/dbraw/zinc/98/29/69/1065982969.db2.gz BUKMVALZLXYNPS-WOJBJXKFSA-N 1 0 397.567 3.662 20 30 GHEDRO CCCCCCCCCNC(=S)N1CCN(CCc2ccccn2)CC1 ZINC001200373784 1066009950 /nfs/dbraw/zinc/00/99/50/1066009950.db2.gz BBAGHXJVEBJHMX-UHFFFAOYSA-N 1 0 376.614 3.867 20 30 GHEDRO N#CC1(COC(=O)c2nc3c(s2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847746779 1066027926 /nfs/dbraw/zinc/02/79/26/1066027926.db2.gz QMNQUSHABCLDLK-UHFFFAOYSA-N 1 0 381.501 3.595 20 30 GHEDRO N#CC1(COC(=O)CCCc2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748635 1066028204 /nfs/dbraw/zinc/02/82/04/1066028204.db2.gz DWLUOLLDOZAFMU-UHFFFAOYSA-N 1 0 377.488 3.753 20 30 GHEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001300347120 1066061836 /nfs/dbraw/zinc/06/18/36/1066061836.db2.gz AHBSVLYTZHTBHQ-DENIHFKCSA-N 1 0 391.563 3.984 20 30 GHEDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001353592627 1066068923 /nfs/dbraw/zinc/06/89/23/1066068923.db2.gz HNXLIZWCAQUUMW-UHFFFAOYSA-N 1 0 388.433 3.690 20 30 GHEDRO C#CCCCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001300353811 1066082086 /nfs/dbraw/zinc/08/20/86/1066082086.db2.gz PWQKFMXRJUJDJE-RTBURBONSA-N 1 0 395.551 3.676 20 30 GHEDRO C#CCCCCn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300353994 1066082699 /nfs/dbraw/zinc/08/26/99/1066082699.db2.gz TZKDRTDJOFNKTQ-UHFFFAOYSA-N 1 0 396.583 3.645 20 30 GHEDRO C#CCCCCn1c(N2CC[NH+](CCc3ccccc3)CC2)nnc1C(C)(C)C ZINC001300377018 1066135489 /nfs/dbraw/zinc/13/54/89/1066135489.db2.gz QKQRRNRBVJGTCI-UHFFFAOYSA-N 1 0 393.579 3.744 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC001466754952 1066296249 /nfs/dbraw/zinc/29/62/49/1066296249.db2.gz KAXOJKJOIVNKGZ-INIZCTEOSA-N 1 0 379.464 3.740 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(OC)c(C#N)cc1F)c1ccccc1 ZINC001467078216 1067052261 /nfs/dbraw/zinc/05/22/61/1067052261.db2.gz VTJHDGJCHHRLTL-LJQANCHMSA-N 1 0 384.455 3.911 20 30 GHEDRO COc1ncc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC001467268741 1067189518 /nfs/dbraw/zinc/18/95/18/1067189518.db2.gz AZZKJIVCYZNWNL-MRXNPFEDSA-N 1 0 393.491 3.658 20 30 GHEDRO C=CC(C)(C)CCNC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001467646506 1067399377 /nfs/dbraw/zinc/39/93/77/1067399377.db2.gz IDBJUGYZOUIZEF-UHFFFAOYSA-N 1 0 386.584 3.799 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001467675764 1067412846 /nfs/dbraw/zinc/41/28/46/1067412846.db2.gz FEBVHEZGPIAJKE-NRFANRHFSA-N 1 0 381.520 3.857 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(C)nc2cc(Br)ccc21 ZINC001467727907 1067439837 /nfs/dbraw/zinc/43/98/37/1067439837.db2.gz VWMNMJFUAGAVFX-UHFFFAOYSA-N 1 0 390.325 3.886 20 30 GHEDRO N#CC[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC001467747090 1067449183 /nfs/dbraw/zinc/44/91/83/1067449183.db2.gz WDIJMUCIXIEFGS-DAWZGUTISA-N 1 0 379.426 3.605 20 30 GHEDRO N#Cc1c[nH]c2cc(C(=O)NC[C@H](NCc3ccccc3)c3ccco3)ccc12 ZINC001467892309 1067517712 /nfs/dbraw/zinc/51/77/12/1067517712.db2.gz MFWIZYJRAKXQLS-NRFANRHFSA-N 1 0 384.439 3.893 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001467964933 1067547216 /nfs/dbraw/zinc/54/72/16/1067547216.db2.gz VMRMBUKFSVLOGI-UHFFFAOYSA-N 1 0 392.409 3.547 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001358871043 1067588507 /nfs/dbraw/zinc/58/85/07/1067588507.db2.gz ZAFKSQCDXAJKBQ-WIYYLYMNSA-N 1 0 393.579 3.870 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC[N@H+]1CC=CCC1 ZINC001358874423 1067589989 /nfs/dbraw/zinc/58/99/89/1067589989.db2.gz XFBCALPLWUNDJO-FPOVZHCZSA-N 1 0 377.536 3.540 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CC[NH+](C(C)C)C(C)C ZINC001358876060 1067590626 /nfs/dbraw/zinc/59/06/26/1067590626.db2.gz BKUVCIGJZVGVLO-GOSISDBHSA-N 1 0 383.540 3.530 20 30 GHEDRO C=CCC(C)(C)CNC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC001477731767 1078545926 /nfs/dbraw/zinc/54/59/26/1078545926.db2.gz REJFVYLMMMXJLE-QGZVFWFLSA-N 1 0 390.547 3.930 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001358881076 1067593281 /nfs/dbraw/zinc/59/32/81/1067593281.db2.gz YRSJRGRGVJNDJT-RBUKOAKNSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001358881510 1067593614 /nfs/dbraw/zinc/59/36/14/1067593614.db2.gz HTMFVMQXWKHVJF-VQTJNVASSA-N 1 0 379.552 3.771 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+](C)C1CCCC1 ZINC001358883283 1067594853 /nfs/dbraw/zinc/59/48/53/1067594853.db2.gz RKAANGJSXITOGX-MRXNPFEDSA-N 1 0 385.943 3.931 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001358892621 1067598964 /nfs/dbraw/zinc/59/89/64/1067598964.db2.gz CWMBMNQBPKSFOB-SFHVURJKSA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C1CC1)[NH+](C)C ZINC001358941960 1067622681 /nfs/dbraw/zinc/62/26/81/1067622681.db2.gz DCVWAZQWGVDYTR-GOSISDBHSA-N 1 0 397.592 3.685 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)[NH+](C)C ZINC001358943201 1067623841 /nfs/dbraw/zinc/62/38/41/1067623841.db2.gz ZSMQNAWQJNZQTI-OAHLLOKOSA-N 1 0 397.523 3.832 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001358942787 1067623930 /nfs/dbraw/zinc/62/39/30/1067623930.db2.gz KCBWGNRXOPMBHR-QGZVFWFLSA-N 1 0 381.480 3.592 20 30 GHEDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC001468185733 1067625076 /nfs/dbraw/zinc/62/50/76/1067625076.db2.gz MQAXBZIEFSEWNE-UHFFFAOYSA-N 1 0 392.341 3.761 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001358944914 1067625414 /nfs/dbraw/zinc/62/54/14/1067625414.db2.gz MYSGPYYWWNJFLF-HXUWFJFHSA-N 1 0 395.551 3.534 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2F)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358944922 1067625585 /nfs/dbraw/zinc/62/55/85/1067625585.db2.gz NJDROVCTEOYDJC-QGZVFWFLSA-N 1 0 383.496 3.518 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001358949434 1067627102 /nfs/dbraw/zinc/62/71/02/1067627102.db2.gz BUIXLULUUHXYEI-JOCHJYFZSA-N 1 0 393.579 3.848 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+](CC)C1CC1 ZINC001358988719 1067636608 /nfs/dbraw/zinc/63/66/08/1067636608.db2.gz AGSHOCCKWFRKFL-UHFFFAOYSA-N 1 0 395.938 3.546 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359066659 1067668537 /nfs/dbraw/zinc/66/85/37/1067668537.db2.gz JOVXBQCBCNTCEQ-HSZRJFAPSA-N 1 0 395.551 3.961 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CC[N@@H+](C)CCCC ZINC001359068073 1067669054 /nfs/dbraw/zinc/66/90/54/1067669054.db2.gz MXKRMMJTPRZUST-HSZRJFAPSA-N 1 0 379.552 3.978 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001359068075 1067669273 /nfs/dbraw/zinc/66/92/73/1067669273.db2.gz MXOPROSYOYCXKB-VGOFRKELSA-N 1 0 397.954 3.932 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CC1([NH+](C)C)CCC1 ZINC001359109510 1067688333 /nfs/dbraw/zinc/68/83/33/1067688333.db2.gz DOYPBKDFUIJYHA-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359112970 1067692027 /nfs/dbraw/zinc/69/20/27/1067692027.db2.gz WXQBKQCGXRUONB-QZTJIDSGSA-N 1 0 389.588 3.836 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CC1([NH+](C)C)CCC1 ZINC001359114217 1067692640 /nfs/dbraw/zinc/69/26/40/1067692640.db2.gz CQQHOHBKPKZLNC-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359124331 1067698549 /nfs/dbraw/zinc/69/85/49/1067698549.db2.gz XADFDZWQANVAAB-WOJBJXKFSA-N 1 0 397.567 3.969 20 30 GHEDRO C=C(Cl)Cn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001359153312 1067713209 /nfs/dbraw/zinc/71/32/09/1067713209.db2.gz ATXUQHVPFVQUGY-IBGZPJMESA-N 1 0 385.943 3.694 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001359160927 1067716929 /nfs/dbraw/zinc/71/69/29/1067716929.db2.gz JRQZPMCXPIMCIC-IBGZPJMESA-N 1 0 395.551 3.842 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001359166262 1067720124 /nfs/dbraw/zinc/72/01/24/1067720124.db2.gz LLUDZEPIYGBSMS-FQEVSTJZSA-N 1 0 379.552 3.818 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)CC1 ZINC001477801997 1078573189 /nfs/dbraw/zinc/57/31/89/1078573189.db2.gz LFZMXUHTRQRGOX-IBGZPJMESA-N 1 0 393.572 3.713 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001359180898 1067742619 /nfs/dbraw/zinc/74/26/19/1067742619.db2.gz XFFUIVXHDHGQPX-MRXNPFEDSA-N 1 0 385.581 3.816 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359234896 1067838323 /nfs/dbraw/zinc/83/83/23/1067838323.db2.gz FLKDEVIVJYIBKS-CQSZACIVSA-N 1 0 389.931 3.712 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCC[C@@H]1C ZINC001359235428 1067839635 /nfs/dbraw/zinc/83/96/35/1067839635.db2.gz ZJYOCOIKGJMSOI-AWEZNQCLSA-N 1 0 377.895 3.844 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359235750 1067840215 /nfs/dbraw/zinc/84/02/15/1067840215.db2.gz MDAMWISTIWTQQY-ZWKOTPCHSA-N 1 0 383.540 3.696 20 30 GHEDRO C#CC1(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCC1 ZINC001468834363 1067904434 /nfs/dbraw/zinc/90/44/34/1067904434.db2.gz OIAJACJEJWMONQ-QGZVFWFLSA-N 1 0 379.426 3.525 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CC=CCC1)C1CC1 ZINC001359253397 1067908548 /nfs/dbraw/zinc/90/85/48/1067908548.db2.gz DLAHBILSTMWQFS-WOJBJXKFSA-N 1 0 399.583 3.613 20 30 GHEDRO C=CC[C@@H]1N(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCCC1(C)C ZINC000849582245 1067913012 /nfs/dbraw/zinc/91/30/12/1067913012.db2.gz LUGCHBWOENZBFC-NJYVYQBISA-N 1 0 386.584 3.827 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849603551 1067917400 /nfs/dbraw/zinc/91/74/00/1067917400.db2.gz QXTRPFGXKUGIIC-XPWALMASSA-N 1 0 394.563 3.538 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC=CCC1)C(C)C ZINC001359265278 1067929042 /nfs/dbraw/zinc/92/90/42/1067929042.db2.gz CIBNWHHEMZNXNA-OAQYLSRUSA-N 1 0 392.551 3.805 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359268306 1067932082 /nfs/dbraw/zinc/93/20/82/1067932082.db2.gz LIFPZKCSZCMYDH-OAHLLOKOSA-N 1 0 386.931 3.655 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC1CC[NH+](CCC)CC1 ZINC001359271066 1067937828 /nfs/dbraw/zinc/93/78/28/1067937828.db2.gz KDXVYFSVAPAYJI-FQEVSTJZSA-N 1 0 387.572 3.820 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359271279 1067938265 /nfs/dbraw/zinc/93/82/65/1067938265.db2.gz PZNUDHLBCYTTAZ-PKOBYXMFSA-N 1 0 385.512 3.594 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359286206 1067966345 /nfs/dbraw/zinc/96/63/45/1067966345.db2.gz VFGPKYKMAXHCQB-SJORKVTESA-N 1 0 378.524 3.542 20 30 GHEDRO C[C@@H](C#N)CN(C)C(=O)NCc1ccccc1OCCC[N@H+](C)C1CCCC1 ZINC001469124816 1067987807 /nfs/dbraw/zinc/98/78/07/1067987807.db2.gz OLZDELWUFOIEFZ-SFHVURJKSA-N 1 0 386.540 3.631 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CCCCC[NH+]1CCCC1 ZINC001359470642 1068066991 /nfs/dbraw/zinc/06/69/91/1068066991.db2.gz CCTMSDGVMCIIRW-GOSISDBHSA-N 1 0 398.530 3.946 20 30 GHEDRO CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCC[N@H+](C)C(C)C ZINC001359780870 1068183779 /nfs/dbraw/zinc/18/37/79/1068183779.db2.gz MIAPQHCPONNIIG-UHFFFAOYSA-N 1 0 382.556 3.715 20 30 GHEDRO C#C[C@@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC001478023694 1078677282 /nfs/dbraw/zinc/67/72/82/1078677282.db2.gz BMZUEFCMOLGSCS-GOSISDBHSA-N 1 0 392.341 3.545 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+]1CC=CCC1 ZINC001360469672 1068519456 /nfs/dbraw/zinc/51/94/56/1068519456.db2.gz GFBXIGUNLMQHQG-INIZCTEOSA-N 1 0 384.915 3.599 20 30 GHEDRO C[C@H](Cn1c(C2CC2)nnc1N(C)Cc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC001360599965 1068577659 /nfs/dbraw/zinc/57/76/59/1068577659.db2.gz ZKLMRGDEOQOOGQ-SFHVURJKSA-N 1 0 392.551 3.786 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001361013287 1068737728 /nfs/dbraw/zinc/73/77/28/1068737728.db2.gz HAWYCHCXKLXING-PKTZIBPZSA-N 1 0 378.516 3.738 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001460268004 1068897135 /nfs/dbraw/zinc/89/71/35/1068897135.db2.gz XNWZQTBRMQPYKQ-RTBURBONSA-N 1 0 379.508 3.829 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC001460511453 1068983280 /nfs/dbraw/zinc/98/32/80/1068983280.db2.gz HFTYGNMAWBISBD-GOSISDBHSA-N 1 0 384.524 3.780 20 30 GHEDRO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC001460718232 1069118780 /nfs/dbraw/zinc/11/87/80/1069118780.db2.gz JWUNIDLHFVCPSE-ROUUACIJSA-N 1 0 386.442 3.844 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC001460757236 1069160445 /nfs/dbraw/zinc/16/04/45/1069160445.db2.gz JKUXUWJIBLLYNL-CRAIPNDOSA-N 1 0 375.310 3.598 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC001478686369 1078955962 /nfs/dbraw/zinc/95/59/62/1078955962.db2.gz YBGXRFDPCXIFAN-OAQYLSRUSA-N 1 0 383.536 3.543 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC001478901931 1079021593 /nfs/dbraw/zinc/02/15/93/1079021593.db2.gz XHQBDEDDCBBRGD-OALUTQOASA-N 1 0 391.849 3.895 20 30 GHEDRO C[NH+]1CCN(c2ccc(CCNc3c(Br)cccc3C#N)cc2)CC1 ZINC001472905359 1073720529 /nfs/dbraw/zinc/72/05/29/1073720529.db2.gz RXIDRBBTMCEVMU-UHFFFAOYSA-N 1 0 399.336 3.727 20 30 GHEDRO C=CCn1c(SCC[NH+]2CCCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001472907524 1073721290 /nfs/dbraw/zinc/72/12/90/1073721290.db2.gz FHFQJVBILCTWSS-CQSZACIVSA-N 1 0 389.590 3.957 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)C1=O ZINC001473325857 1073921156 /nfs/dbraw/zinc/92/11/56/1073921156.db2.gz ZFYMJGSWDXXRLV-XZOQPEGZSA-N 1 0 378.516 3.972 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001473461858 1073976713 /nfs/dbraw/zinc/97/67/13/1073976713.db2.gz ADLCZNYBWUUAEG-HSZRJFAPSA-N 1 0 394.950 3.604 20 30 GHEDRO Cc1ccccc1[C@H](C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC(C)C ZINC001473469607 1073980702 /nfs/dbraw/zinc/98/07/02/1073980702.db2.gz XYJNGOCWXCQKHP-SFHVURJKSA-N 1 0 385.533 3.755 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)C2(CO)CCCC2)c(C#N)c1C ZINC001473501421 1073991247 /nfs/dbraw/zinc/99/12/47/1073991247.db2.gz AAKGJXBLMIZTHG-UHFFFAOYSA-N 1 0 397.544 3.982 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC001473582477 1074029919 /nfs/dbraw/zinc/02/99/19/1074029919.db2.gz XDMPDEULOFAJFH-NRFANRHFSA-N 1 0 376.500 3.617 20 30 GHEDRO CCOC(=O)c1csc(CC2CC[NH+](CCOc3cccc(C#N)c3)CC2)n1 ZINC001473760068 1074127849 /nfs/dbraw/zinc/12/78/49/1074127849.db2.gz VYCIYJZVJXAGEO-UHFFFAOYSA-N 1 0 399.516 3.525 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001473820454 1074160245 /nfs/dbraw/zinc/16/02/45/1074160245.db2.gz ALWUYTLTIVDPIM-MJGOQNOKSA-N 1 0 376.566 3.790 20 30 GHEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC001473861866 1074179064 /nfs/dbraw/zinc/17/90/64/1074179064.db2.gz OTVKTXZRYZSKDW-UHFFFAOYSA-N 1 0 399.457 3.769 20 30 GHEDRO O=C(C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1F ZINC001473920565 1074203964 /nfs/dbraw/zinc/20/39/64/1074203964.db2.gz AXLNZZOWXTXDBC-UHFFFAOYSA-N 1 0 380.263 3.990 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001473941153 1074212795 /nfs/dbraw/zinc/21/27/95/1074212795.db2.gz NLFUIDQWIXDNTP-UHFFFAOYSA-N 1 0 383.923 3.712 20 30 GHEDRO CCN(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C(=O)OC(C)(C)C ZINC001473972712 1074222580 /nfs/dbraw/zinc/22/25/80/1074222580.db2.gz XNMSDQUEBPUPGI-UHFFFAOYSA-N 1 0 397.523 3.810 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(C)(C)C ZINC001474133747 1074272751 /nfs/dbraw/zinc/27/27/51/1074272751.db2.gz HDZJILBFZFIVPR-OAQYLSRUSA-N 1 0 391.515 3.755 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001546228529 1079242320 /nfs/dbraw/zinc/24/23/20/1079242320.db2.gz DUXWSHGVRLJSNG-HNNXBMFYSA-N 1 0 387.268 3.537 20 30 GHEDRO C=CCCC1(C[NH2+]Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)CCCC1 ZINC001474208147 1074294282 /nfs/dbraw/zinc/29/42/82/1074294282.db2.gz TZQGLDCUQRJQKI-UHFFFAOYSA-N 1 0 392.503 3.822 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CCc2ccc3c(c2)OCCCO3)c1 ZINC001474271198 1074319589 /nfs/dbraw/zinc/31/95/89/1074319589.db2.gz HAAPLUOZUINQLT-UHFFFAOYSA-N 1 0 387.277 3.814 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001493740561 1079290752 /nfs/dbraw/zinc/29/07/52/1079290752.db2.gz OLVWJYKEFZIYTF-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001493740813 1079290916 /nfs/dbraw/zinc/29/09/16/1079290916.db2.gz QSGNHXHQFDWZPL-LJQANCHMSA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001493786647 1079297226 /nfs/dbraw/zinc/29/72/26/1079297226.db2.gz YBUGTBPTWZYPET-MOPGFXCFSA-N 1 0 395.555 3.591 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1 ZINC001493843368 1079302436 /nfs/dbraw/zinc/30/24/36/1079302436.db2.gz BBAYQJSVZUPRFW-QGZVFWFLSA-N 1 0 396.514 3.699 20 30 GHEDRO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)s2)[NH+](CC)CC)cc1 ZINC001475345389 1074841571 /nfs/dbraw/zinc/84/15/71/1074841571.db2.gz FHPAQGYCWGRHGI-GOSISDBHSA-N 1 0 391.562 3.544 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C(C)C ZINC001475888572 1075041706 /nfs/dbraw/zinc/04/17/06/1075041706.db2.gz BRPYTQJTCMRWES-OAHLLOKOSA-N 1 0 381.423 3.828 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001495336345 1079401578 /nfs/dbraw/zinc/40/15/78/1079401578.db2.gz HNFNCWFMPMNGDM-GOSISDBHSA-N 1 0 392.551 3.590 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001496114586 1079456694 /nfs/dbraw/zinc/45/66/94/1079456694.db2.gz CTEBIDSAVJKKOV-PGRDOPGGSA-N 1 0 394.567 3.648 20 30 GHEDRO N#Cc1cccc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)c1 ZINC000737731061 598562085 /nfs/dbraw/zinc/56/20/85/598562085.db2.gz XITCUZPYIUXMRU-UHFFFAOYSA-N 1 0 396.454 3.607 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)c2)s1 ZINC000822822879 607483042 /nfs/dbraw/zinc/48/30/42/607483042.db2.gz GDXLXVMEMIEJPF-UHFFFAOYSA-N 1 0 390.447 3.896 20 30 GHEDRO CC1CC[NH+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)CC1 ZINC000828296153 601299287 /nfs/dbraw/zinc/29/92/87/601299287.db2.gz VLFFPIMVCXNWTG-JOCHJYFZSA-N 1 0 377.488 3.706 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000819729480 607058371 /nfs/dbraw/zinc/05/83/71/607058371.db2.gz HCNATOMMLKMJNB-CYBMUJFWSA-N 1 0 387.846 3.988 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825038419 609151629 /nfs/dbraw/zinc/15/16/29/609151629.db2.gz BEDWXIVBKOOEQG-CJNGLKHVSA-N 1 0 380.427 3.538 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc(OC)c1OC ZINC000823937049 609340769 /nfs/dbraw/zinc/34/07/69/609340769.db2.gz GDXAEZVXKVQJDD-ZDUSSCGKSA-N 1 0 397.454 3.602 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413216 718880442 /nfs/dbraw/zinc/88/04/42/718880442.db2.gz DSGOXQKIWKMSQO-GFCCVEGCSA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621267 719044994 /nfs/dbraw/zinc/04/49/94/719044994.db2.gz IEJCOFFXXKBHBX-APWZRJJASA-N 1 0 388.849 3.735 20 30 GHEDRO N#Cc1cc(C#N)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164621775 719076877 /nfs/dbraw/zinc/07/68/77/719076877.db2.gz HNDNRPQLGOCZJU-QFBILLFUSA-N 1 0 377.879 3.579 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)ncc1C#N)CC2 ZINC001164839904 720666790 /nfs/dbraw/zinc/66/67/90/720666790.db2.gz KSLSNAJUEIOZNH-IBGZPJMESA-N 1 0 396.922 3.867 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C3(C#N)CCC3)cn1)[C@@H]2C ZINC001164858489 720960946 /nfs/dbraw/zinc/96/09/46/720960946.db2.gz IWZBKRBCKGSUCY-QGZVFWFLSA-N 1 0 378.524 3.645 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(F)cc3C#N)C[C@H]21 ZINC001165019628 721800266 /nfs/dbraw/zinc/80/02/66/721800266.db2.gz DJFNQDOSLWDSEW-POZUXBRTSA-N 1 0 399.901 3.878 20 30 GHEDRO Cc1cc(C#N)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C ZINC001165028346 721808887 /nfs/dbraw/zinc/80/88/87/721808887.db2.gz XPJLNWZDUCANRZ-NYVOZVTQSA-N 1 0 375.520 3.702 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4[nH]c(C#N)cc4n3)C[C@@H]21 ZINC001165024479 721822211 /nfs/dbraw/zinc/82/22/11/721822211.db2.gz KEGQMANBJOJSAV-GTCCEBARSA-N 1 0 386.503 3.566 20 30 GHEDRO C=CC[NH+]1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC001165032537 721870088 /nfs/dbraw/zinc/87/00/88/721870088.db2.gz XISZQWVJKQLMPA-UHFFFAOYSA-N 1 0 391.544 3.940 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000613235785 837438212 /nfs/dbraw/zinc/43/82/12/837438212.db2.gz PEMRBBUAOVHUMW-UHFFFAOYSA-N 1 0 392.503 3.667 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2C2CC2)c1 ZINC000580957680 837443219 /nfs/dbraw/zinc/44/32/19/837443219.db2.gz JXVVLWXNRLTYST-GHTZIAJQSA-N 1 0 388.519 3.605 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[NH+]1CCCCCC1)c1cccc(C#N)c1 ZINC000176791565 837535548 /nfs/dbraw/zinc/53/55/48/837535548.db2.gz RIIFTTDKHICVDJ-HSZRJFAPSA-N 1 0 391.515 3.938 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000728182971 834345543 /nfs/dbraw/zinc/34/55/43/834345543.db2.gz NNRASSQJXPAYLJ-UHFFFAOYSA-N 1 0 391.446 3.560 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](OC(C)C)c2ccccc2OC)cc1OC ZINC000274504075 834352793 /nfs/dbraw/zinc/35/27/93/834352793.db2.gz LIPWNGPZSQZWCB-HXUWFJFHSA-N 1 0 387.480 3.605 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000176864336 837764739 /nfs/dbraw/zinc/76/47/39/837764739.db2.gz NBBQLXLKFPCMIB-LJQANCHMSA-N 1 0 397.544 3.796 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](c4ccncc4)C3)sc2C1 ZINC000577505434 834398353 /nfs/dbraw/zinc/39/83/53/834398353.db2.gz IIRGSPPHXHJESM-NVXWUHKLSA-N 1 0 394.544 3.958 20 30 GHEDRO Cc1cc(C)n(-c2ccccc2CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)n1 ZINC000262336899 834550888 /nfs/dbraw/zinc/55/08/88/834550888.db2.gz BZKZNCFFGYQGRI-UHFFFAOYSA-N 1 0 391.475 3.577 20 30 GHEDRO N#CC1(NC(=O)CCc2cnc3ccccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000471110750 834573364 /nfs/dbraw/zinc/57/33/64/834573364.db2.gz VOWWCSAAOQNIEX-UHFFFAOYSA-N 1 0 398.510 3.842 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245455905 834601481 /nfs/dbraw/zinc/60/14/81/834601481.db2.gz BAQDYNKZCNOCNF-IQLKFUDHSA-N 1 0 387.545 3.585 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000278311144 834626772 /nfs/dbraw/zinc/62/67/72/834626772.db2.gz FGHZMLYJVNFKPN-LPHOPBHVSA-N 1 0 392.425 3.599 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000577713014 834650847 /nfs/dbraw/zinc/65/08/47/834650847.db2.gz LLJICHGTAOIRRX-UHFFFAOYSA-N 1 0 384.867 3.640 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c(OC)c1 ZINC000583580077 834677107 /nfs/dbraw/zinc/67/71/07/834677107.db2.gz XTSAFDIQMZYDHI-QGZVFWFLSA-N 1 0 387.442 3.828 20 30 GHEDRO CC[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000133669814 834679588 /nfs/dbraw/zinc/67/95/88/834679588.db2.gz TUTYCVAXWRTIHR-AWEZNQCLSA-N 1 0 393.413 3.584 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584457719 834690223 /nfs/dbraw/zinc/69/02/23/834690223.db2.gz YIIMTOGCADQNNT-BEVDRBHNSA-N 1 0 393.934 3.793 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)nc1 ZINC000430175384 834757815 /nfs/dbraw/zinc/75/78/15/834757815.db2.gz HOPZCTZMAAASEW-OAHLLOKOSA-N 1 0 395.356 3.687 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2Cl)n1 ZINC000430179926 834808514 /nfs/dbraw/zinc/80/85/14/834808514.db2.gz QBTJZWYHDNRCME-KRWDZBQOSA-N 1 0 393.878 3.660 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246160188 834814501 /nfs/dbraw/zinc/81/45/01/834814501.db2.gz AFMYUQPWGWRHCV-WMLDXEAASA-N 1 0 382.426 3.827 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000573269115 834834412 /nfs/dbraw/zinc/83/44/12/834834412.db2.gz XICMQTDURCZHOR-SJKOYZFVSA-N 1 0 393.256 3.550 20 30 GHEDRO N#C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC12CCCC2 ZINC000583733615 834957961 /nfs/dbraw/zinc/95/79/61/834957961.db2.gz LMCKHZKUFVSOFJ-YLJYHZDGSA-N 1 0 391.437 3.870 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001125736798 835014898 /nfs/dbraw/zinc/01/48/98/835014898.db2.gz RYBDEDSLAIIUQE-KRWDZBQOSA-N 1 0 383.305 3.976 20 30 GHEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000471149001 835050502 /nfs/dbraw/zinc/05/05/02/835050502.db2.gz XCRWBVIPYBUTCZ-FQEVSTJZSA-N 1 0 382.895 3.551 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000246992488 835076591 /nfs/dbraw/zinc/07/65/91/835076591.db2.gz PFIQELVKYHQGHU-VQTJNVASSA-N 1 0 397.592 3.564 20 30 GHEDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330459 844021574 /nfs/dbraw/zinc/02/15/74/844021574.db2.gz JNLBHGXAWFVSIY-GHTZIAJQSA-N 1 0 381.524 3.790 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@](C)(CO)C(C)C)cc1OCC ZINC000685629583 835238488 /nfs/dbraw/zinc/23/84/88/835238488.db2.gz BQWMERLCTMIZGP-SFHVURJKSA-N 1 0 386.330 3.909 20 30 GHEDRO COc1cccc(C(F)F)c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000892418339 835340682 /nfs/dbraw/zinc/34/06/82/835340682.db2.gz RMVSMTLWFJLGLH-UHFFFAOYSA-N 1 0 399.441 3.899 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000658062127 835391146 /nfs/dbraw/zinc/39/11/46/835391146.db2.gz YEWSNTNSGLRWDF-UWJYYQICSA-N 1 0 392.565 3.573 20 30 GHEDRO C=C(C)C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1cnn(C(C)C)c1 ZINC000512521449 844052337 /nfs/dbraw/zinc/05/23/37/844052337.db2.gz FNFABGSTOJWZNT-UHFFFAOYSA-N 1 0 384.480 3.600 20 30 GHEDRO Cc1cc(N2CCC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)n(C)n1 ZINC000278576605 835449221 /nfs/dbraw/zinc/44/92/21/835449221.db2.gz XTIRJIATQKGAFV-WQMHRJNTSA-N 1 0 377.536 3.691 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000647379796 835530755 /nfs/dbraw/zinc/53/07/55/835530755.db2.gz OCPCMKUANGHJAF-SFHVURJKSA-N 1 0 394.548 3.607 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189205117 835545106 /nfs/dbraw/zinc/54/51/06/835545106.db2.gz QUJREWGRXSHANT-DENIHFKCSA-N 1 0 383.536 3.830 20 30 GHEDRO C[C@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccc(Cl)c1 ZINC000278614671 835553046 /nfs/dbraw/zinc/55/30/46/835553046.db2.gz JEVHYRWXWWWYEY-NRFANRHFSA-N 1 0 395.894 3.509 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](CCCc3ccc(C#N)cc3)C2)CC1 ZINC001208860061 835647563 /nfs/dbraw/zinc/64/75/63/835647563.db2.gz HASIRPIXGLJKBE-UHFFFAOYSA-N 1 0 381.520 3.991 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000471195472 835695135 /nfs/dbraw/zinc/69/51/35/835695135.db2.gz IZNCCENOQIKGOE-UHFFFAOYSA-N 1 0 390.531 3.908 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000584160550 835717314 /nfs/dbraw/zinc/71/73/14/835717314.db2.gz UGJBSTSMKGBAMA-CALCHBBNSA-N 1 0 394.450 3.953 20 30 GHEDRO N#CCC1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000612177721 835795017 /nfs/dbraw/zinc/79/50/17/835795017.db2.gz WKEPJLQDYQCIKE-FDFHNCONSA-N 1 0 380.536 3.622 20 30 GHEDRO N#CCC1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000612177723 835795618 /nfs/dbraw/zinc/79/56/18/835795618.db2.gz WKEPJLQDYQCIKE-YPAWHYETSA-N 1 0 380.536 3.622 20 30 GHEDRO CCO[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278784783 835922147 /nfs/dbraw/zinc/92/21/47/835922147.db2.gz ZNLSWZIUXCLYMJ-OAQYLSRUSA-N 1 0 375.476 3.726 20 30 GHEDRO CN1CC[NH+](CC2(C)CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)CC1 ZINC000364940045 836126464 /nfs/dbraw/zinc/12/64/64/836126464.db2.gz BFPJTCFCBPXTIC-UHFFFAOYSA-N 1 0 397.954 3.614 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000065930432 836255197 /nfs/dbraw/zinc/25/51/97/836255197.db2.gz PMYUJRWAPMGOAH-UHFFFAOYSA-N 1 0 393.535 3.591 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613389494 836271023 /nfs/dbraw/zinc/27/10/23/836271023.db2.gz NICVDIHRFPUZJW-FUHIMQAGSA-N 1 0 397.544 3.631 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000173910995 836334250 /nfs/dbraw/zinc/33/42/50/836334250.db2.gz MVKKOUFTBGZODI-HXUWFJFHSA-N 1 0 391.515 3.660 20 30 GHEDRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccc(C#N)c3)o2)CC1 ZINC000892546850 836408191 /nfs/dbraw/zinc/40/81/91/836408191.db2.gz QIGXUROGLOHBHM-UHFFFAOYSA-N 1 0 395.503 3.999 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000255048815 836452159 /nfs/dbraw/zinc/45/21/59/836452159.db2.gz VMSJPQOQJDTQDJ-OEWRPIJISA-N 1 0 379.504 3.553 20 30 GHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548945760 836475307 /nfs/dbraw/zinc/47/53/07/836475307.db2.gz WPSZPHCWCQTXII-UHFFFAOYSA-N 1 0 397.567 3.738 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000179999413 836568576 /nfs/dbraw/zinc/56/85/76/836568576.db2.gz FQOBUXIHIFRPSB-PMACEKPBSA-N 1 0 378.432 3.703 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000177473177 836611846 /nfs/dbraw/zinc/61/18/46/836611846.db2.gz FSFOJDXUFSHJRJ-KRWDZBQOSA-N 1 0 395.330 3.708 20 30 GHEDRO COCC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000613503347 836620031 /nfs/dbraw/zinc/62/00/31/836620031.db2.gz KSDLOAPPPOUWJD-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000248875738 836651465 /nfs/dbraw/zinc/65/14/65/836651465.db2.gz QZZXWQCTVBFQEY-ZTFGCOKTSA-N 1 0 379.426 3.868 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)CC1 ZINC000328659479 836885877 /nfs/dbraw/zinc/88/58/77/836885877.db2.gz SVEREXCLZDRQEQ-UHFFFAOYSA-N 1 0 390.528 3.799 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000564157786 837021265 /nfs/dbraw/zinc/02/12/65/837021265.db2.gz UYPVVYKLCIQYTQ-OAQYLSRUSA-N 1 0 390.405 3.726 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(CC)cc1 ZINC000027326495 837043143 /nfs/dbraw/zinc/04/31/43/837043143.db2.gz HAYJCPNMDOAHNI-UHFFFAOYSA-O 1 0 386.497 3.773 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cc(CC#N)ccn1 ZINC000610792915 844235938 /nfs/dbraw/zinc/23/59/38/844235938.db2.gz VSQVXLZEGTYBTR-KRWDZBQOSA-N 1 0 378.476 3.653 20 30 GHEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000414336528 837197147 /nfs/dbraw/zinc/19/71/47/837197147.db2.gz IEFJJYMZXDRJMS-URXFXBBRSA-N 1 0 375.516 3.925 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2CC[NH2+]CC[C@@H]2F)c(Br)c1 ZINC001218015070 837213741 /nfs/dbraw/zinc/21/37/41/837213741.db2.gz JIDFKRMULYUQHE-RYUDHWBXSA-N 1 0 392.066 3.552 20 30 GHEDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000180473100 837274739 /nfs/dbraw/zinc/27/47/39/837274739.db2.gz IFYRGNRGVBAZPR-UHFFFAOYSA-N 1 0 379.526 3.516 20 30 GHEDRO N#C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000471344864 837313744 /nfs/dbraw/zinc/31/37/44/837313744.db2.gz BIVCNZRSBTWEIH-IBGZPJMESA-N 1 0 398.304 3.578 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000580529477 837364656 /nfs/dbraw/zinc/36/46/56/837364656.db2.gz DGGDZWKNCUZWIY-UHFFFAOYSA-N 1 0 390.409 3.744 20 30 GHEDRO CC[NH+](CC)CCC[C@H](C)NC=C1C(=O)CC(c2cccc(OC)c2)CC1=O ZINC000121011826 837838902 /nfs/dbraw/zinc/83/89/02/837838902.db2.gz MEMPCKOBGXMYCC-KKFHFHRHSA-N 1 0 386.536 3.695 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188853747 837924235 /nfs/dbraw/zinc/92/42/35/837924235.db2.gz FHXTUGRIFOEGJL-UHFFFAOYSA-N 1 0 377.513 3.771 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000177538554 837974251 /nfs/dbraw/zinc/97/42/51/837974251.db2.gz ATRKBWGSAJOAFY-NHCUHLMSSA-N 1 0 377.488 3.740 20 30 GHEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415705572 838006642 /nfs/dbraw/zinc/00/66/42/838006642.db2.gz TXZVYDJSBSZJJN-OAQYLSRUSA-N 1 0 382.512 3.536 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433457433 844282838 /nfs/dbraw/zinc/28/28/38/844282838.db2.gz PHUSTLVNQSKVIV-OAHLLOKOSA-N 1 0 385.961 3.600 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115566500 838029570 /nfs/dbraw/zinc/02/95/70/838029570.db2.gz QLUGQESRZMPEPI-GPJFCIFZSA-N 1 0 389.609 3.848 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000046265806 838080876 /nfs/dbraw/zinc/08/08/76/838080876.db2.gz ZHKVVIDGYPNBKS-QFIPXVFZSA-N 1 0 378.520 3.653 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460788872 838199159 /nfs/dbraw/zinc/19/91/59/838199159.db2.gz AQUYMBBZAPSXKA-FUHWJXTLSA-N 1 0 399.514 3.806 20 30 GHEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460795259 838208038 /nfs/dbraw/zinc/20/80/38/838208038.db2.gz CBQMKDPECHDHFG-UHFFFAOYSA-N 1 0 378.524 3.545 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1 ZINC000189167503 838218053 /nfs/dbraw/zinc/21/80/53/838218053.db2.gz KOCRUAJQVJGYMG-GOSISDBHSA-N 1 0 379.529 3.680 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)cc1C#N ZINC000177926672 838248642 /nfs/dbraw/zinc/24/86/42/838248642.db2.gz JDYHAWFIFPPYCK-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO COCCN(Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000189707491 838374251 /nfs/dbraw/zinc/37/42/51/838374251.db2.gz HSIZSLRDHWLPAQ-UHFFFAOYSA-N 1 0 378.451 3.591 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cnc(-c4ccccn4)s3)CC2)cc1 ZINC000122844071 838405696 /nfs/dbraw/zinc/40/56/96/838405696.db2.gz MABOWUWVPUYYMP-UHFFFAOYSA-N 1 0 389.528 3.785 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC001167329696 838421251 /nfs/dbraw/zinc/42/12/51/838421251.db2.gz HWBMDQIJOMMBAD-NRFANRHFSA-N 1 0 377.532 3.898 20 30 GHEDRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000610342890 838567811 /nfs/dbraw/zinc/56/78/11/838567811.db2.gz FSKMKRCSSURDRH-HNNXBMFYSA-N 1 0 388.581 3.678 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000275743471 838638763 /nfs/dbraw/zinc/63/87/63/838638763.db2.gz RLQMQMVZDWRPPR-HNNXBMFYSA-N 1 0 396.516 3.577 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610355899 838654558 /nfs/dbraw/zinc/65/45/58/838654558.db2.gz FRXFSZKIKUOQKW-HXUWFJFHSA-N 1 0 390.531 3.969 20 30 GHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000152043998 838657460 /nfs/dbraw/zinc/65/74/60/838657460.db2.gz KLBFZPIVOLFZSW-OALUTQOASA-N 1 0 397.567 3.510 20 30 GHEDRO COCCO[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000549409925 838744389 /nfs/dbraw/zinc/74/43/89/838744389.db2.gz LDMSLPCNHJIUBN-QHCPKHFHSA-N 1 0 380.488 3.765 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000560891669 838849474 /nfs/dbraw/zinc/84/94/74/838849474.db2.gz IXSWAXRPVGBSQL-SFHVURJKSA-N 1 0 391.496 3.900 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c(C(F)(F)F)c1 ZINC000549830059 844401652 /nfs/dbraw/zinc/40/16/52/844401652.db2.gz FJMLYLBSBMLNMS-UHFFFAOYSA-N 1 0 375.394 3.703 20 30 GHEDRO CCCc1c(NC(=O)N[C@H](C)C[N@@H+](CC)CCC)cnn1-c1cccc(C#N)c1 ZINC000580249933 839126369 /nfs/dbraw/zinc/12/63/69/839126369.db2.gz RXIGZPAKXURNRS-QGZVFWFLSA-N 1 0 396.539 3.938 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](CCc3ccc(F)cc3)C3CC3)C2=O)cc1 ZINC001167372205 839137968 /nfs/dbraw/zinc/13/79/68/839137968.db2.gz MSMZQSJNIKHFDQ-QFIPXVFZSA-N 1 0 377.463 3.900 20 30 GHEDRO C=CCC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000363830494 839140443 /nfs/dbraw/zinc/14/04/43/839140443.db2.gz XOQYECLEOIVYSR-FGZHOGPDSA-N 1 0 384.568 3.504 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050090912 839156150 /nfs/dbraw/zinc/15/61/50/839156150.db2.gz LCZQKCVLDMUXNS-IBGZPJMESA-N 1 0 378.476 3.601 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000050091877 839156508 /nfs/dbraw/zinc/15/65/08/839156508.db2.gz CYFRLBPTJJFQNA-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000415076169 839164455 /nfs/dbraw/zinc/16/44/55/839164455.db2.gz CPHZXLXHASEHDU-UHFFFAOYSA-N 1 0 382.464 3.998 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000415077884 839167403 /nfs/dbraw/zinc/16/74/03/839167403.db2.gz FVDYYWCOQKJJAJ-NRFANRHFSA-N 1 0 380.448 3.608 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000415083325 839179009 /nfs/dbraw/zinc/17/90/09/839179009.db2.gz NBMSIPJFDLEKPJ-CRAIPNDOSA-N 1 0 394.475 3.950 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415091402 839182844 /nfs/dbraw/zinc/18/28/44/839182844.db2.gz ZBWQOFMAERGKEK-IBGZPJMESA-N 1 0 394.475 3.998 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(c3cccc(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000378486912 839208755 /nfs/dbraw/zinc/20/87/55/839208755.db2.gz WZXXHJQKGHMRBS-UHFFFAOYSA-N 1 0 389.478 3.856 20 30 GHEDRO O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C12CCC[NH+](CCC1)C2 ZINC000892892300 839332991 /nfs/dbraw/zinc/33/29/91/839332991.db2.gz TYKNGGVTXCCGFG-UHFFFAOYSA-N 1 0 383.279 3.577 20 30 GHEDRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]C3CCN(CC#N)CC3)n2c1 ZINC000892911136 839379669 /nfs/dbraw/zinc/37/96/69/839379669.db2.gz VMWBWEHVAWKMDB-UHFFFAOYSA-N 1 0 377.467 3.526 20 30 GHEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001167387465 839424405 /nfs/dbraw/zinc/42/44/05/839424405.db2.gz STRLVCLQYMACEF-ICSRJNTNSA-N 1 0 386.536 3.742 20 30 GHEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000415245524 839454610 /nfs/dbraw/zinc/45/46/10/839454610.db2.gz ZVCUGAMDWVHQRS-UHFFFAOYSA-N 1 0 382.439 3.953 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000046344464 839514901 /nfs/dbraw/zinc/51/49/01/839514901.db2.gz KYTHSESTIDICID-LPHOPBHVSA-N 1 0 379.485 3.745 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000153307143 839547098 /nfs/dbraw/zinc/54/70/98/839547098.db2.gz MIHRGPOYFIRLFQ-UHFFFAOYSA-N 1 0 383.536 3.689 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)ccc1OC ZINC000363920604 839565793 /nfs/dbraw/zinc/56/57/93/839565793.db2.gz BMXJCORSWHYPSZ-IPMKNSEASA-N 1 0 382.508 3.926 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000580494759 839679339 /nfs/dbraw/zinc/67/93/39/839679339.db2.gz UJASYLLSARYUPR-KRWDZBQOSA-N 1 0 383.442 3.869 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000471584379 839681979 /nfs/dbraw/zinc/68/19/79/839681979.db2.gz FYTFVONTCFGANO-UHFFFAOYSA-N 1 0 381.520 3.915 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCOc2ncccc2C(F)(F)F)cc1 ZINC000160522453 839689546 /nfs/dbraw/zinc/68/95/46/839689546.db2.gz VMWBTHIHEQUJMH-UHFFFAOYSA-N 1 0 382.386 3.693 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549270078 839716533 /nfs/dbraw/zinc/71/65/33/839716533.db2.gz SUKNDWYTTCUSSI-UHFFFAOYSA-N 1 0 380.540 3.537 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCc2cccc(C#N)c2)cc1 ZINC000579747489 839905361 /nfs/dbraw/zinc/90/53/61/839905361.db2.gz PCZSNTHGTKHGBK-LJQANCHMSA-N 1 0 390.531 3.975 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC(OCCC[NH3+])CC2)ccc1Oc1ccccc1 ZINC000415531216 839918059 /nfs/dbraw/zinc/91/80/59/839918059.db2.gz DLTFIRGTSWDWPD-UHFFFAOYSA-N 1 0 394.475 3.712 20 30 GHEDRO CCc1ccc([C@H](C#N)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000580740383 840091300 /nfs/dbraw/zinc/09/13/00/840091300.db2.gz DRJMVUDFBJGMOO-QHCPKHFHSA-N 1 0 390.531 3.774 20 30 GHEDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329240829 861191797 /nfs/dbraw/zinc/19/17/97/861191797.db2.gz RGBBSASFAHLACT-WJFTUGDTSA-N 1 0 391.581 3.815 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C1 ZINC000579857507 840174910 /nfs/dbraw/zinc/17/49/10/840174910.db2.gz ZFXKIJGQZJYOSK-LJQANCHMSA-N 1 0 380.540 3.641 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000416945057 840299782 /nfs/dbraw/zinc/29/97/82/840299782.db2.gz MHWCKRMGOMBXFV-CQSZACIVSA-N 1 0 375.394 3.576 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000934012115 844525549 /nfs/dbraw/zinc/52/55/49/844525549.db2.gz SZKHVUSZTGHTHM-NVXWUHKLSA-N 1 0 375.538 3.550 20 30 GHEDRO C[C@@H]([NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000511593954 840328851 /nfs/dbraw/zinc/32/88/51/840328851.db2.gz MZKIDKLBPTXBQJ-MLGOLLRUSA-N 1 0 381.398 3.577 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc([N+](=O)[O-])cc1)C(=S)N[C@H](C)CC ZINC000194973931 840383072 /nfs/dbraw/zinc/38/30/72/840383072.db2.gz SQHJMTPVDBFOKH-CQSZACIVSA-O 1 0 386.497 3.772 20 30 GHEDRO CCCCCCCS(=O)(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000195083687 840400619 /nfs/dbraw/zinc/40/06/19/840400619.db2.gz XQRZPWIJBXGUDS-LJQANCHMSA-N 1 0 394.581 3.864 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2nc3c(cc2C#N)CCC3)CCOCC1)c1ccccc1 ZINC000500413413 840430685 /nfs/dbraw/zinc/43/06/85/840430685.db2.gz HHJXJHMYYJOITE-QGZVFWFLSA-N 1 0 376.504 3.754 20 30 GHEDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000276006476 840501327 /nfs/dbraw/zinc/50/13/27/840501327.db2.gz IRRURULRTSTXKK-IRXDYDNUSA-N 1 0 384.549 3.991 20 30 GHEDRO N#Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000511676367 840501692 /nfs/dbraw/zinc/50/16/92/840501692.db2.gz UHXMBYOUILHHLI-CQSZACIVSA-N 1 0 380.801 3.734 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610804418 844546611 /nfs/dbraw/zinc/54/66/11/844546611.db2.gz AKEPDRHTAFMHMI-OAQYLSRUSA-N 1 0 391.515 3.744 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511610294 840565343 /nfs/dbraw/zinc/56/53/43/840565343.db2.gz LTTDEFFWQPGDOK-ACJLOTCBSA-N 1 0 383.414 3.634 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418567437 840925848 /nfs/dbraw/zinc/92/58/48/840925848.db2.gz WYOCHMRMSDRMKR-RBBKRZOGSA-N 1 0 397.494 3.678 20 30 GHEDRO C=CCc1cc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000050860019 840948470 /nfs/dbraw/zinc/94/84/70/840948470.db2.gz GJDZDKUCICVQAV-UHFFFAOYSA-N 1 0 394.515 3.958 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)c(C(F)(F)F)c1 ZINC000584809207 840948801 /nfs/dbraw/zinc/94/88/01/840948801.db2.gz FCUCBOJSVWIAON-UHFFFAOYSA-N 1 0 389.421 3.699 20 30 GHEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000610813084 844611093 /nfs/dbraw/zinc/61/10/93/844611093.db2.gz YUBVUKQQLFUXRA-SFHVURJKSA-N 1 0 389.503 3.552 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000433535777 844617040 /nfs/dbraw/zinc/61/70/40/844617040.db2.gz XVDXWRTUBOWYMU-UHFFFAOYSA-N 1 0 391.563 3.718 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990215 841366957 /nfs/dbraw/zinc/36/69/57/841366957.db2.gz KAYQXZFCKAVMNG-JLHGSKIFSA-N 1 0 376.504 3.913 20 30 GHEDRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329246244 861198057 /nfs/dbraw/zinc/19/80/57/861198057.db2.gz APDHEGWLLXOKFC-UONOGXRCSA-N 1 0 398.334 3.773 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000661119072 841414818 /nfs/dbraw/zinc/41/48/18/841414818.db2.gz BQMLZQJKXZCCEN-FSSWDIPSSA-N 1 0 397.563 3.569 20 30 GHEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599429649 861201329 /nfs/dbraw/zinc/20/13/29/861201329.db2.gz ZCDHKKNDLGXJJE-UXHICEINSA-N 1 0 378.944 3.958 20 30 GHEDRO Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000329259490 861210872 /nfs/dbraw/zinc/21/08/72/861210872.db2.gz FKYNNJBRHGNERS-OAHLLOKOSA-N 1 0 387.915 3.533 20 30 GHEDRO C[C@]1(Cc2ccccc2Cl)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599462006 861211498 /nfs/dbraw/zinc/21/14/98/861211498.db2.gz LMCNVDJAZFUCJQ-AZUAARDMSA-N 1 0 376.928 3.808 20 30 GHEDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418147180 841568960 /nfs/dbraw/zinc/56/89/60/841568960.db2.gz QNOKXIBGGBCGBE-KRWDZBQOSA-N 1 0 378.398 3.709 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000329260226 861216085 /nfs/dbraw/zinc/21/60/85/861216085.db2.gz YWZPOMZNVNOXOQ-NYLDSWQDSA-N 1 0 396.535 3.722 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000581530647 841612575 /nfs/dbraw/zinc/61/25/75/841612575.db2.gz JODNVJOEAZVCIC-KRWDZBQOSA-N 1 0 378.524 3.708 20 30 GHEDRO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000566614592 841714389 /nfs/dbraw/zinc/71/43/89/841714389.db2.gz OYEUDDIOYSAQMJ-GOSISDBHSA-N 1 0 399.498 3.646 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cn2)c1 ZINC000603828973 861242729 /nfs/dbraw/zinc/24/27/29/861242729.db2.gz HQTMXZYFCYPSIV-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C[NH+]1CCCCC1 ZINC000603831173 861243906 /nfs/dbraw/zinc/24/39/06/861243906.db2.gz SIJCVCXHSLAFKD-QGZVFWFLSA-N 1 0 393.491 3.989 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000329281123 861243885 /nfs/dbraw/zinc/24/38/85/861243885.db2.gz KOURJZCTBBKXKS-HOTGVXAUSA-N 1 0 399.470 3.857 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000610521894 841919111 /nfs/dbraw/zinc/91/91/11/841919111.db2.gz BILOBRWCHFEGHL-KBXCAEBGSA-N 1 0 390.325 3.785 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000509121811 861258229 /nfs/dbraw/zinc/25/82/29/861258229.db2.gz BFDLLJIKNNTUIN-UHFFFAOYSA-N 1 0 375.451 3.595 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](O)C34CCCC4)cc2)CC1 ZINC000330345461 842016332 /nfs/dbraw/zinc/01/63/32/842016332.db2.gz FFGRVKRYDVBFED-OAQYLSRUSA-N 1 0 385.552 3.712 20 30 GHEDRO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)C(C)(C)C ZINC000661755596 842146060 /nfs/dbraw/zinc/14/60/60/842146060.db2.gz VMWZSHOTJLAZGY-HNNXBMFYSA-N 1 0 383.414 3.579 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCOC(C)(C)C1 ZINC000581754715 842150112 /nfs/dbraw/zinc/15/01/12/842150112.db2.gz ATKJMWAAUAHHCV-GOSISDBHSA-N 1 0 377.916 3.866 20 30 GHEDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000661784550 842168603 /nfs/dbraw/zinc/16/86/03/842168603.db2.gz QHWWCMVTFKVLLZ-PKOBYXMFSA-N 1 0 377.410 3.671 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418578056 842228099 /nfs/dbraw/zinc/22/80/99/842228099.db2.gz IVGXGVBJWLXCAE-SFTDATJTSA-N 1 0 380.467 3.679 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000157953970 842252860 /nfs/dbraw/zinc/25/28/60/842252860.db2.gz AELXEKRPXNNYMZ-NRFANRHFSA-N 1 0 377.488 3.669 20 30 GHEDRO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329326746 861288368 /nfs/dbraw/zinc/28/83/68/861288368.db2.gz UGJRYMYCFXBICN-CYBMUJFWSA-N 1 0 382.386 3.952 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)nc1 ZINC000581865047 842330543 /nfs/dbraw/zinc/33/05/43/842330543.db2.gz RNMKVCQKHXBEFG-OAHLLOKOSA-N 1 0 380.448 3.869 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)C2)CC1 ZINC000278946451 842361890 /nfs/dbraw/zinc/36/18/90/842361890.db2.gz CPPAOIVPDIZNOD-LJQANCHMSA-N 1 0 392.503 3.797 20 30 GHEDRO O=C(Nc1cccc(CSC2CCOCC2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329340672 861304404 /nfs/dbraw/zinc/30/44/04/861304404.db2.gz RSYVBZAXZMIKIW-VQTJNVASSA-N 1 0 389.565 3.861 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000432407975 842400752 /nfs/dbraw/zinc/40/07/52/842400752.db2.gz QWIQDGYLIOADBB-UHFFFAOYSA-N 1 0 376.504 3.905 20 30 GHEDRO N#Cc1c(C#N)c(N2CCC(C[NH+]3CCCC3)CC2)nc2c1CCCCCC2 ZINC000408332776 842516857 /nfs/dbraw/zinc/51/68/57/842516857.db2.gz WQSPCNYDXPONLS-UHFFFAOYSA-N 1 0 377.536 3.796 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000432291365 842550918 /nfs/dbraw/zinc/55/09/18/842550918.db2.gz JNIFTAFZBIEVGE-UHFFFAOYSA-N 1 0 380.492 3.909 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)no1 ZINC000329360225 861324355 /nfs/dbraw/zinc/32/43/55/861324355.db2.gz GUAVJOFMUKRVRO-PMACEKPBSA-N 1 0 397.523 3.902 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1)C(C)C ZINC000663669564 842618018 /nfs/dbraw/zinc/61/80/18/842618018.db2.gz YTNXAKXTKDIPMU-PWRODBHTSA-N 1 0 377.573 3.676 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000571138651 842694119 /nfs/dbraw/zinc/69/41/19/842694119.db2.gz RVHAIWZBHDZVJN-FQEVSTJZSA-N 1 0 394.494 3.799 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000610571509 842818260 /nfs/dbraw/zinc/81/82/60/842818260.db2.gz FWGYYZNUSXNOIX-RXVVDRJESA-N 1 0 386.499 3.948 20 30 GHEDRO COC1CC[NH+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000610572341 842839550 /nfs/dbraw/zinc/83/95/50/842839550.db2.gz KSLZBDVYEJWJNQ-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO Cc1ccc(NC(=O)c2nnc(CN3C[C@@H]4CCCC[N@H+]4C[C@@H]3C)s2)cc1 ZINC000329378210 861351020 /nfs/dbraw/zinc/35/10/20/861351020.db2.gz MKNPHJXRGHFJNQ-RDJZCZTQSA-N 1 0 385.537 3.541 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000510535180 842918254 /nfs/dbraw/zinc/91/82/54/842918254.db2.gz UAPLNPUAOUDSMB-UHFFFAOYSA-N 1 0 378.476 3.874 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000510535833 842922551 /nfs/dbraw/zinc/92/25/51/842922551.db2.gz XUOCIZLBACEGTM-HXUWFJFHSA-N 1 0 390.531 3.969 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279318999 842978453 /nfs/dbraw/zinc/97/84/53/842978453.db2.gz DEXHIYPPPQTDBQ-RLLQIKCJSA-N 1 0 390.487 3.573 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000603910945 861379657 /nfs/dbraw/zinc/37/96/57/861379657.db2.gz FTNXJUHLNOTBEQ-LJQANCHMSA-N 1 0 394.494 3.673 20 30 GHEDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000512215259 843103772 /nfs/dbraw/zinc/10/37/72/843103772.db2.gz ZTSITHXNHQQYFD-BEFAXECRSA-N 1 0 394.544 3.507 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599594900 861379865 /nfs/dbraw/zinc/37/98/65/861379865.db2.gz MUWVBMMIQQVDCA-HRAATJIYSA-N 1 0 389.565 3.940 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000477761129 843115991 /nfs/dbraw/zinc/11/59/91/843115991.db2.gz NPKXXAFUCXFOMP-QGZVFWFLSA-N 1 0 398.894 3.726 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161655820 843127316 /nfs/dbraw/zinc/12/73/16/843127316.db2.gz REEVPJUHGYIMMC-HNNXBMFYSA-N 1 0 397.910 3.582 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cscc1Br ZINC000506201371 843373574 /nfs/dbraw/zinc/37/35/74/843373574.db2.gz CMYVITJODLPTKJ-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCC[NH2+]1 ZINC000662549012 843409024 /nfs/dbraw/zinc/40/90/24/843409024.db2.gz NBHWUGFTFJLLHA-QFIPXVFZSA-N 1 0 381.451 3.644 20 30 GHEDRO CCC[C@H](NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000599629974 861418029 /nfs/dbraw/zinc/41/80/29/861418029.db2.gz CQOOTWRKCRVLNW-QFIPXVFZSA-N 1 0 391.515 3.811 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1OC ZINC000512347077 843486133 /nfs/dbraw/zinc/48/61/33/843486133.db2.gz QDUAJBGKVURJOI-UHFFFAOYSA-N 1 0 386.536 3.921 20 30 GHEDRO COC(=O)c1cc2cc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)ccc2o1 ZINC000599632185 861422062 /nfs/dbraw/zinc/42/20/62/861422062.db2.gz SMPMIEYWZAOBOM-UHFFFAOYSA-N 1 0 390.439 3.887 20 30 GHEDRO CC(C)N(C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000599632574 861425875 /nfs/dbraw/zinc/42/58/75/861425875.db2.gz BFCVLEKOBXXHFH-UHFFFAOYSA-N 1 0 377.488 3.595 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000599635767 861429705 /nfs/dbraw/zinc/42/97/05/861429705.db2.gz VPTQWGXJTOWCKV-IBGZPJMESA-N 1 0 390.405 3.569 20 30 GHEDRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCC(C#N)CC2)c1 ZINC000555618565 861438601 /nfs/dbraw/zinc/43/86/01/861438601.db2.gz QXNLEKUWXWKISB-RPWUZVMVSA-N 1 0 387.527 3.973 20 30 GHEDRO Cc1ccc(C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000162130569 861441985 /nfs/dbraw/zinc/44/19/85/861441985.db2.gz YJVRKKGOUQIQQD-INIZCTEOSA-N 1 0 384.549 3.633 20 30 GHEDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000891916968 843798036 /nfs/dbraw/zinc/79/80/36/843798036.db2.gz OWNPKSZBLDKZJQ-VXKWHMMOSA-N 1 0 392.503 3.786 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512824573 843810061 /nfs/dbraw/zinc/81/00/61/843810061.db2.gz UWUCUQOFBOJSJL-FUHWJXTLSA-N 1 0 387.499 3.720 20 30 GHEDRO CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000512449306 843831707 /nfs/dbraw/zinc/83/17/07/843831707.db2.gz FHNQOOJPGGOKFK-AZUAARDMSA-N 1 0 396.535 3.508 20 30 GHEDRO CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000512449309 843831989 /nfs/dbraw/zinc/83/19/89/843831989.db2.gz FHNQOOJPGGOKFK-UYAOXDASSA-N 1 0 396.535 3.508 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000512896512 843946898 /nfs/dbraw/zinc/94/68/98/843946898.db2.gz OBLHZBSUYJIEHR-QFIPXVFZSA-N 1 0 394.519 3.790 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000599676501 861475910 /nfs/dbraw/zinc/47/59/10/861475910.db2.gz FAAVQDOVDRQDQW-UHFFFAOYSA-N 1 0 398.304 3.902 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412086199 843992425 /nfs/dbraw/zinc/99/24/25/843992425.db2.gz ZZMWMUILGRPSIH-QZTJIDSGSA-N 1 0 391.556 3.551 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOCc2ccc(Cl)cc2)c(-c2ccncc2)n1 ZINC000433320110 844009916 /nfs/dbraw/zinc/00/99/16/844009916.db2.gz SRBOWMIZXJXOBH-UHFFFAOYSA-N 1 0 395.894 3.819 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000432948836 844716854 /nfs/dbraw/zinc/71/68/54/844716854.db2.gz MMJZGOQRCIOPHC-LJQANCHMSA-N 1 0 379.460 3.741 20 30 GHEDRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000599691068 861497703 /nfs/dbraw/zinc/49/77/03/861497703.db2.gz QOQYRHFWFLEAPG-HSZRJFAPSA-N 1 0 375.516 3.877 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000246378262 844802226 /nfs/dbraw/zinc/80/22/26/844802226.db2.gz MOBSLAFCPGDDCJ-PSUSJVNBSA-N 1 0 381.520 3.715 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000329478364 861500232 /nfs/dbraw/zinc/50/02/32/861500232.db2.gz OQCNZKIOLOWCEZ-PVSGBFIBSA-N 1 0 399.579 3.958 20 30 GHEDRO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)cn1 ZINC000599697884 861505370 /nfs/dbraw/zinc/50/53/70/861505370.db2.gz HZCDHUCTAYYUGW-HSZRJFAPSA-N 1 0 392.503 3.695 20 30 GHEDRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(C#N)cc1F ZINC000512662017 844914524 /nfs/dbraw/zinc/91/45/24/844914524.db2.gz VMPONLMDAQLQGO-OAHLLOKOSA-N 1 0 380.467 3.568 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433019691 844977501 /nfs/dbraw/zinc/97/75/01/844977501.db2.gz KXHJSEMXWXYWBC-FQEVSTJZSA-N 1 0 378.476 3.976 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512679845 845018982 /nfs/dbraw/zinc/01/89/82/845018982.db2.gz BRAPDYFGRUQMGX-SFHVURJKSA-N 1 0 387.405 3.890 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000329489593 861523179 /nfs/dbraw/zinc/52/31/79/861523179.db2.gz UWAYNVZFQMRQIR-WCQYABFASA-N 1 0 382.386 3.951 20 30 GHEDRO C=C(C)[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)OCC ZINC000535889400 845035918 /nfs/dbraw/zinc/03/59/18/845035918.db2.gz SCGUGMBNYWRRTQ-QZTJIDSGSA-N 1 0 384.442 3.767 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000513211614 845054588 /nfs/dbraw/zinc/05/45/88/845054588.db2.gz YUYWBNAOKHKVPN-QGZVFWFLSA-N 1 0 375.476 3.777 20 30 GHEDRO CC(C)C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000614217124 845221772 /nfs/dbraw/zinc/22/17/72/845221772.db2.gz HPFXIOSSRUTMDC-FYYLOGMGSA-N 1 0 393.531 3.923 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCCc3cccc(C#N)c3)c2)CC1 ZINC000513352732 845267861 /nfs/dbraw/zinc/26/78/61/845267861.db2.gz RJURATVEAKCLSK-UHFFFAOYSA-N 1 0 390.531 3.832 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cnc2ccccc2n1 ZINC000657238414 845286587 /nfs/dbraw/zinc/28/65/87/845286587.db2.gz SSKDTQHQXUQFMO-UHFFFAOYSA-N 1 0 394.548 3.728 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C ZINC000329504586 861556114 /nfs/dbraw/zinc/55/61/14/861556114.db2.gz IJHXZQKUBFPXKW-YUSPZLJHSA-N 1 0 390.572 3.630 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[NH+]2CCCC2)c1 ZINC000433119502 845353056 /nfs/dbraw/zinc/35/30/56/845353056.db2.gz GRAQHDWFGQUTJZ-FYYLOGMGSA-N 1 0 391.515 3.721 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000429860170 845419615 /nfs/dbraw/zinc/41/96/15/845419615.db2.gz ONZODXJAOQWFRY-UHFFFAOYSA-N 1 0 390.512 3.871 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc2ccccc2n1CC#N)C1CC1 ZINC000614251389 845431624 /nfs/dbraw/zinc/43/16/24/845431624.db2.gz YAMAUCFKSKKKQV-HSZRJFAPSA-N 1 0 386.499 3.805 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329510403 861568606 /nfs/dbraw/zinc/56/86/06/861568606.db2.gz KCHBBDNBOAXHJN-RBUKOAKNSA-N 1 0 386.540 3.797 20 30 GHEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H](C)c1cccc2ccccc21 ZINC000262823624 845530239 /nfs/dbraw/zinc/53/02/39/845530239.db2.gz XPOLFTWOFONMQY-FUHWJXTLSA-N 1 0 390.535 3.618 20 30 GHEDRO CN1CCC(CNC(=O)CCc2nc3ccccc3o2)([NH+]2CCCCC2)CC1 ZINC000329536671 861608709 /nfs/dbraw/zinc/60/87/09/861608709.db2.gz BFDYLDFZDWQQKO-UHFFFAOYSA-N 1 0 384.524 3.667 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115349909 845907000 /nfs/dbraw/zinc/90/70/00/845907000.db2.gz RHTIPJLATYJRCF-NRFANRHFSA-N 1 0 391.515 3.987 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1O2 ZINC000119720830 846018764 /nfs/dbraw/zinc/01/87/64/846018764.db2.gz PYFKCMXLVLBCKJ-SFHVURJKSA-N 1 0 397.425 3.554 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277403941 846031776 /nfs/dbraw/zinc/03/17/76/846031776.db2.gz JEAXCEIMNGZKHR-IAGOWNOFSA-N 1 0 390.553 3.703 20 30 GHEDRO C[C@@H](Cc1cccnc1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000934236681 846047323 /nfs/dbraw/zinc/04/73/23/846047323.db2.gz OFWKZHIIISPZRS-CABCVRRESA-N 1 0 382.533 3.689 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000539268139 846052936 /nfs/dbraw/zinc/05/29/36/846052936.db2.gz PJOPAGJIIVXNPK-UONOGXRCSA-N 1 0 385.464 3.853 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccccc1 ZINC000502536365 846173135 /nfs/dbraw/zinc/17/31/35/846173135.db2.gz VMPYPEKJQUUJSL-JOCHJYFZSA-N 1 0 397.906 3.578 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000072007028 846194852 /nfs/dbraw/zinc/19/48/52/846194852.db2.gz AVCHRKHZMILUJF-DENIHFKCSA-N 1 0 391.515 3.915 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000513665194 846232371 /nfs/dbraw/zinc/23/23/71/846232371.db2.gz CNUDRHMNHVFSBM-IBGZPJMESA-N 1 0 391.490 3.709 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000072019932 846236787 /nfs/dbraw/zinc/23/67/87/846236787.db2.gz BMSIVADINNMIPZ-IBGZPJMESA-N 1 0 384.455 3.909 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000502602274 846243238 /nfs/dbraw/zinc/24/32/38/846243238.db2.gz SEOSOOVGOHARPK-OAQYLSRUSA-N 1 0 383.879 3.532 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000469122581 846279450 /nfs/dbraw/zinc/27/94/50/846279450.db2.gz ZUPASUQJMZNHMW-UHFFFAOYSA-N 1 0 385.537 3.801 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000280594751 846456008 /nfs/dbraw/zinc/45/60/08/846456008.db2.gz FHWRIFVWCMWAOX-UHFFFAOYSA-N 1 0 378.520 3.834 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000513703617 846532131 /nfs/dbraw/zinc/53/21/31/846532131.db2.gz XYCODKZIRHGAHJ-LJQANCHMSA-N 1 0 393.506 3.955 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000367090910 846607889 /nfs/dbraw/zinc/60/78/89/846607889.db2.gz DVZBDUNCIMGWOI-IBGZPJMESA-N 1 0 389.908 3.593 20 30 GHEDRO COc1cc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000501080670 846623123 /nfs/dbraw/zinc/62/31/23/846623123.db2.gz OFPJIULSDLDPOG-UTKZUKDTSA-N 1 0 380.488 3.881 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419651773 846718806 /nfs/dbraw/zinc/71/88/06/846718806.db2.gz VAAPFMQILJUIOL-QFIPXVFZSA-N 1 0 394.494 3.848 20 30 GHEDRO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503046196 846749880 /nfs/dbraw/zinc/74/98/80/846749880.db2.gz ZFHWYSSVZFEFAZ-KRWDZBQOSA-N 1 0 375.476 3.835 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000414563415 846750132 /nfs/dbraw/zinc/75/01/32/846750132.db2.gz BRRULJQRJZBKDU-NRFANRHFSA-N 1 0 389.478 3.971 20 30 GHEDRO C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(OCC#N)cc1 ZINC000272272789 847034539 /nfs/dbraw/zinc/03/45/39/847034539.db2.gz NRUVGRIPFZDUTJ-QGZVFWFLSA-N 1 0 379.508 3.687 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000272928309 847208990 /nfs/dbraw/zinc/20/89/90/847208990.db2.gz JSHLBDDPDXYUOD-JMQGSBJISA-N 1 0 397.544 3.638 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)c2ccccc2Oc2ccccc2C#N)CCSC1 ZINC000478999509 847386698 /nfs/dbraw/zinc/38/66/98/847386698.db2.gz VRJJDWTVADNGOP-NRFANRHFSA-N 1 0 381.501 3.518 20 30 GHEDRO N#CC1(c2cccnc2N[C@H]2CCSC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC001167948630 847420924 /nfs/dbraw/zinc/42/09/24/847420924.db2.gz WJPRURBHYICMFG-IBGZPJMESA-N 1 0 392.528 3.583 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1cccc(F)c1 ZINC000511147006 847454408 /nfs/dbraw/zinc/45/44/08/847454408.db2.gz ZEORFPFMXZUSKE-UHFFFAOYSA-N 1 0 390.528 3.803 20 30 GHEDRO COc1ccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)CC2CC2)c(OC)c1 ZINC000503212849 847466243 /nfs/dbraw/zinc/46/62/43/847466243.db2.gz WJLRUGCYQLYFOK-UHFFFAOYSA-N 1 0 393.487 3.816 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(C#N)s1)[NH+]1CCCCC1 ZINC000420904843 847523093 /nfs/dbraw/zinc/52/30/93/847523093.db2.gz BMMDIZKPTGGDDC-IBGZPJMESA-N 1 0 398.532 3.655 20 30 GHEDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000421032524 847632797 /nfs/dbraw/zinc/63/27/97/847632797.db2.gz WVPCBFWDRAXWPE-VQIMIIECSA-N 1 0 394.519 3.758 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](CCO)CC2)sc2c1CCCCC2 ZINC000421044676 847660148 /nfs/dbraw/zinc/66/01/48/847660148.db2.gz TTXQUJRJLLXNKQ-INIZCTEOSA-N 1 0 389.565 3.702 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@H]2SCC)cc1 ZINC000503459025 847728203 /nfs/dbraw/zinc/72/82/03/847728203.db2.gz INNIZMPJHKNBLT-RTBURBONSA-N 1 0 375.538 3.596 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000277729258 847747133 /nfs/dbraw/zinc/74/71/33/847747133.db2.gz UIZCSLGKTULSGI-KRWDZBQOSA-N 1 0 383.521 3.554 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000502311895 847747921 /nfs/dbraw/zinc/74/79/21/847747921.db2.gz JCFOPZLAWLBZPO-SFHVURJKSA-N 1 0 376.294 3.877 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000479592239 847749141 /nfs/dbraw/zinc/74/91/41/847749141.db2.gz MYMRNGGTQKBPNT-MAUKXSAKSA-N 1 0 390.409 3.718 20 30 GHEDRO C[NH+](C)CCn1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000131927608 861827725 /nfs/dbraw/zinc/82/77/25/861827725.db2.gz CNTMEEOWDJOCDD-UHFFFAOYSA-N 1 0 375.476 3.507 20 30 GHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000502502027 847943564 /nfs/dbraw/zinc/94/35/64/847943564.db2.gz NKNUWTSEWRWRSN-NRFANRHFSA-N 1 0 391.556 3.553 20 30 GHEDRO Cc1noc(C[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2ccccc2)n1 ZINC000277778974 847979409 /nfs/dbraw/zinc/97/94/09/847979409.db2.gz YXHQOZLUDCGYEU-OAQYLSRUSA-N 1 0 375.476 3.802 20 30 GHEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000329633064 861851889 /nfs/dbraw/zinc/85/18/89/861851889.db2.gz WYUFAHNOWGRXKV-LBPRGKRZSA-N 1 0 379.863 3.766 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCCc2cccnc2)[n+]2ccccc2)c1 ZINC000171208790 861868253 /nfs/dbraw/zinc/86/82/53/861868253.db2.gz BQBQXLDSWBCGQC-UHFFFAOYSA-O 1 0 390.532 3.757 20 30 GHEDRO N#CCCC[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000599919097 861879556 /nfs/dbraw/zinc/87/95/56/861879556.db2.gz GGZDIRGLEQWYDH-ZACQAIPSSA-N 1 0 382.430 3.590 20 30 GHEDRO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000511193449 848258990 /nfs/dbraw/zinc/25/89/90/848258990.db2.gz NNFNIGTZUIVJLS-IBGZPJMESA-N 1 0 393.506 3.656 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)Cc1ccsc1 ZINC000187805321 848274697 /nfs/dbraw/zinc/27/46/97/848274697.db2.gz YKNHXYHWUYKFHO-MRXNPFEDSA-N 1 0 393.516 3.697 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCO[C@H]2CC2(F)F)cc1OC ZINC000657617301 848338119 /nfs/dbraw/zinc/33/81/19/848338119.db2.gz GSMYQKQDRDFJJW-AWEZNQCLSA-N 1 0 392.240 3.536 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614722746 861906084 /nfs/dbraw/zinc/90/60/84/861906084.db2.gz WDKFYQGKSNSJKP-OAQYLSRUSA-N 1 0 396.531 3.631 20 30 GHEDRO C=CCOCCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000657658718 848501462 /nfs/dbraw/zinc/50/14/62/848501462.db2.gz AVSQTSLPYLEKAM-UHFFFAOYSA-N 1 0 395.341 3.544 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cccc(C#N)c2)C1 ZINC000048828362 848636930 /nfs/dbraw/zinc/63/69/30/848636930.db2.gz MUUAEBHWIHJOIG-SFHVURJKSA-N 1 0 376.504 3.790 20 30 GHEDRO N#CCCCOc1cccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356570 861927410 /nfs/dbraw/zinc/92/74/10/861927410.db2.gz RPUKXYPRWOBZJK-DEOSSOPVSA-N 1 0 393.531 3.750 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1Cl ZINC000237818112 848675621 /nfs/dbraw/zinc/67/56/21/848675621.db2.gz LVUSITZLVOYIOB-UHFFFAOYSA-N 1 0 385.895 3.694 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000604287133 862035031 /nfs/dbraw/zinc/03/50/31/862035031.db2.gz AMGLJEYNRVOTDQ-QFIPXVFZSA-N 1 0 376.504 3.831 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CCc2ccc(OC)cc2)Cc2ccccc2)CC1 ZINC000171296284 862052786 /nfs/dbraw/zinc/05/27/86/862052786.db2.gz HFLRTKILUUOKMR-UHFFFAOYSA-N 1 0 390.527 3.612 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CCC(C)CC2)cc1OC ZINC000518762223 850057300 /nfs/dbraw/zinc/05/73/00/850057300.db2.gz HLWWZPDEAZNINI-UHFFFAOYSA-N 1 0 397.357 3.844 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c(OC)c1 ZINC000504493382 850089090 /nfs/dbraw/zinc/08/90/90/850089090.db2.gz QGRWNGQWNHGQFK-RTWAWAEBSA-N 1 0 397.515 3.662 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)cc1 ZINC000504503011 850103039 /nfs/dbraw/zinc/10/30/39/850103039.db2.gz JFJQATYLHDIQCJ-GZRZCRQQSA-N 1 0 383.536 3.804 20 30 GHEDRO C[NH+]=C(NCc1cc(-c2ccc(OC)cc2)cs1)N1CC[C@]2(CCOC2)C1 ZINC000261996475 850132145 /nfs/dbraw/zinc/13/21/45/850132145.db2.gz SOQLYBCPFPGBNV-NRFANRHFSA-N 1 0 385.533 3.612 20 30 GHEDRO C[C@H](Sc1cccc(F)c1C#N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000518797415 850160950 /nfs/dbraw/zinc/16/09/50/850160950.db2.gz UKISWGWFMSOZSF-INIZCTEOSA-N 1 0 397.519 3.959 20 30 GHEDRO Cc1nc2cc(Cl)c(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2s1 ZINC000435176046 850188702 /nfs/dbraw/zinc/18/87/02/850188702.db2.gz GVBHRMFSCYJLCH-UHFFFAOYSA-N 1 0 379.917 3.957 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc4c3OCCCO4)C2)c(F)c1 ZINC000518818708 850188861 /nfs/dbraw/zinc/18/88/61/850188861.db2.gz NYNVAHHSFWOBEC-GOSISDBHSA-N 1 0 381.451 3.617 20 30 GHEDRO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329697888 862102482 /nfs/dbraw/zinc/10/24/82/862102482.db2.gz CMVFBKOFUWZTED-WIYYLYMNSA-N 1 0 385.552 3.849 20 30 GHEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CCCCC1 ZINC000439660882 850216815 /nfs/dbraw/zinc/21/68/15/850216815.db2.gz KZFSNZDYFRPKLS-OAHLLOKOSA-N 1 0 379.342 3.931 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC000424128569 850241575 /nfs/dbraw/zinc/24/15/75/850241575.db2.gz ROCHHBQPMIZYKM-MRXNPFEDSA-N 1 0 378.314 3.746 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424148267 850250184 /nfs/dbraw/zinc/25/01/84/850250184.db2.gz ZURNPBVZPVXLQQ-IAQYHMDHSA-N 1 0 376.913 3.970 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000424129784 850257161 /nfs/dbraw/zinc/25/71/61/850257161.db2.gz TYWDFCUACSDPAZ-LJQANCHMSA-N 1 0 383.565 3.663 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000424133215 850258822 /nfs/dbraw/zinc/25/88/22/850258822.db2.gz YXTZOOMACZUAGQ-QUCCMNQESA-N 1 0 397.592 3.991 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908691736 850271994 /nfs/dbraw/zinc/27/19/94/850271994.db2.gz ZQMNJMAPZGQYNC-MOPGFXCFSA-N 1 0 387.572 3.591 20 30 GHEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424201055 850288623 /nfs/dbraw/zinc/28/86/23/850288623.db2.gz NYLZXZSQOLCNCL-WMLDXEAASA-N 1 0 390.325 3.644 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000505652855 850308706 /nfs/dbraw/zinc/30/87/06/850308706.db2.gz VYZRTWMUDDDHRG-UHFFFAOYSA-N 1 0 383.536 3.657 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)cc1 ZINC000518924267 850336633 /nfs/dbraw/zinc/33/66/33/850336633.db2.gz XWMWRQCIZLUSNH-GOSISDBHSA-N 1 0 375.472 3.759 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000518967754 850417689 /nfs/dbraw/zinc/41/76/89/850417689.db2.gz YIRKDWHGBHOFGX-QFIPXVFZSA-N 1 0 391.515 3.888 20 30 GHEDRO CC(C)Cc1ccc([C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)N(C)C)cc1 ZINC000514888947 850438554 /nfs/dbraw/zinc/43/85/54/850438554.db2.gz XLGOWIBGSKBSGP-JOCHJYFZSA-N 1 0 375.520 3.797 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1Cl ZINC000504971016 850494082 /nfs/dbraw/zinc/49/40/82/850494082.db2.gz MGMTUTYJRNJELM-UHFFFAOYSA-N 1 0 378.929 3.695 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)CC(C)C ZINC000519024992 850508840 /nfs/dbraw/zinc/50/88/40/850508840.db2.gz WOWJICJIJGTILQ-OAQYLSRUSA-N 1 0 399.583 3.536 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000505010790 850519553 /nfs/dbraw/zinc/51/95/53/850519553.db2.gz LUWKMCJQBNZEHF-WOJBJXKFSA-N 1 0 384.568 3.828 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)NCCCCC#N)cc2Cl)CC1 ZINC000171380272 862142343 /nfs/dbraw/zinc/14/23/43/862142343.db2.gz XZQJXERTZVGDPG-UHFFFAOYSA-N 1 0 377.920 3.687 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000505052313 850574096 /nfs/dbraw/zinc/57/40/96/850574096.db2.gz QQHUNSCWIYCOBD-RTWAWAEBSA-N 1 0 379.504 3.562 20 30 GHEDRO CC(C)(C)OC(=O)CC[N@H+](CC#Cc1cccc(Cl)c1)C1CCOCC1 ZINC000515057103 850633754 /nfs/dbraw/zinc/63/37/54/850633754.db2.gz QOEIONSJLMNYAM-UHFFFAOYSA-N 1 0 377.912 3.904 20 30 GHEDRO C=CCOc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1OC ZINC000505229328 850739067 /nfs/dbraw/zinc/73/90/67/850739067.db2.gz GTWACIAPFQFGQH-UHFFFAOYSA-N 1 0 396.531 3.977 20 30 GHEDRO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)CC12CC3CC(CC(C3)C1)C2 ZINC000027929556 850827953 /nfs/dbraw/zinc/82/79/53/850827953.db2.gz VRICROZYEARNSX-UHFFFAOYSA-N 1 0 376.504 3.568 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435743450 850830529 /nfs/dbraw/zinc/83/05/29/850830529.db2.gz RZXREPNSHFPMKH-KDOFPFPSSA-N 1 0 376.298 3.910 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC1 ZINC000519287810 850845290 /nfs/dbraw/zinc/84/52/90/850845290.db2.gz QIGVWZLURPNHOE-UHFFFAOYSA-N 1 0 382.464 3.694 20 30 GHEDRO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[C@H]1C ZINC000487963793 851031170 /nfs/dbraw/zinc/03/11/70/851031170.db2.gz NEGDONTZURNGSI-VQIMIIECSA-N 1 0 377.916 3.724 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425078529 851074708 /nfs/dbraw/zinc/07/47/08/851074708.db2.gz KLHJKRYKJYFTFF-ZDUSSCGKSA-N 1 0 384.505 3.577 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)cc1)C(C)C ZINC000729435378 851138244 /nfs/dbraw/zinc/13/82/44/851138244.db2.gz WNKCHQCRFLRPHZ-HXUWFJFHSA-N 1 0 395.503 3.929 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000425451605 851145114 /nfs/dbraw/zinc/14/51/14/851145114.db2.gz VZUBZKGMBUIDEU-SFHVURJKSA-N 1 0 394.519 3.791 20 30 GHEDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000515559827 851191177 /nfs/dbraw/zinc/19/11/77/851191177.db2.gz OIXUUVKZMIHFNM-UHFFFAOYSA-N 1 0 377.366 3.704 20 30 GHEDRO CCC1(CNC(=O)CNc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000514060708 851202479 /nfs/dbraw/zinc/20/24/79/851202479.db2.gz RMMVJXBZFJYFLC-UHFFFAOYSA-N 1 0 390.531 3.779 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000514087208 851226787 /nfs/dbraw/zinc/22/67/87/851226787.db2.gz AUCYSFSZUSYWJY-CQSZACIVSA-N 1 0 376.407 3.754 20 30 GHEDRO C=CCn1c(SCCC[NH+]2CCCC2)nnc1[C@@H]1COc2ccccc2O1 ZINC000436135825 851248691 /nfs/dbraw/zinc/24/86/91/851248691.db2.gz VNRZASXLYGBVFV-SFHVURJKSA-N 1 0 386.521 3.555 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[NH+](CCc2cccs2)CC1 ZINC000488242903 851306591 /nfs/dbraw/zinc/30/65/91/851306591.db2.gz TWNBDLAVAHXKFD-UHFFFAOYSA-N 1 0 384.455 3.811 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000436297354 851431738 /nfs/dbraw/zinc/43/17/38/851431738.db2.gz XJYXIHNYBLGITI-LBTNJELSSA-N 1 0 386.414 3.873 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC000505462706 851447336 /nfs/dbraw/zinc/44/73/36/851447336.db2.gz UARVJZJLRYOQBO-GOSISDBHSA-N 1 0 390.325 3.616 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1(CO)CCC1 ZINC000550096103 851555223 /nfs/dbraw/zinc/55/52/23/851555223.db2.gz UNFSZVQWLJACFT-OXQOHEQNSA-N 1 0 389.565 3.654 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000488498464 851580040 /nfs/dbraw/zinc/58/00/40/851580040.db2.gz HGIDMGITKTXYLW-AVRDEDQJSA-N 1 0 393.556 3.818 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604500745 862260078 /nfs/dbraw/zinc/26/00/78/862260078.db2.gz OAZPRODHVNAVCS-QFIPXVFZSA-N 1 0 377.488 3.522 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C[C@H]1CCCO1 ZINC000488639340 851668801 /nfs/dbraw/zinc/66/88/01/851668801.db2.gz FIHFSOBLBHKDNN-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000111389036 851669078 /nfs/dbraw/zinc/66/90/78/851669078.db2.gz AMAOADQBEDXREE-IBGZPJMESA-N 1 0 382.895 3.585 20 30 GHEDRO O=C(NC1CC1)[C@@H](O)C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000329738303 862276793 /nfs/dbraw/zinc/27/67/93/862276793.db2.gz UEWOTWOUEVCXGW-SFHVURJKSA-N 1 0 393.409 3.950 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2)cc1 ZINC000108509839 851779242 /nfs/dbraw/zinc/77/92/42/851779242.db2.gz UDVQNBCPZKHADE-LJQANCHMSA-N 1 0 376.460 3.956 20 30 GHEDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000030534849 862293072 /nfs/dbraw/zinc/29/30/72/862293072.db2.gz ACYMLGCRSRXZCI-YJBOKZPZSA-N 1 0 376.403 3.640 20 30 GHEDRO C=CCCC1(CNC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CCCC1 ZINC000617417849 851891949 /nfs/dbraw/zinc/89/19/49/851891949.db2.gz IUVWUGGLWYEPGP-UHFFFAOYSA-N 1 0 375.601 3.826 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000505829310 851925153 /nfs/dbraw/zinc/92/51/53/851925153.db2.gz DMFGJGJXWGJYOH-RTBURBONSA-N 1 0 385.552 3.618 20 30 GHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c(C#N)cc1N(C)C ZINC000436498327 851974982 /nfs/dbraw/zinc/97/49/82/851974982.db2.gz OOSHZITXBZWTOG-UHFFFAOYSA-N 1 0 385.537 3.590 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438177439 852093254 /nfs/dbraw/zinc/09/32/54/852093254.db2.gz LBDQZTBBVMRISS-CRAIPNDOSA-N 1 0 394.475 3.963 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000519573328 852125511 /nfs/dbraw/zinc/12/55/11/852125511.db2.gz YLGBYKMLIUVKNU-NYHFZMIOSA-N 1 0 375.472 3.554 20 30 GHEDRO CCc1c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnn1-c1ccccc1 ZINC000329802521 862330159 /nfs/dbraw/zinc/33/01/59/862330159.db2.gz KKZOYFSBFXCOEM-VGSWGCGISA-N 1 0 393.535 3.929 20 30 GHEDRO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000329806133 862334025 /nfs/dbraw/zinc/33/40/25/862334025.db2.gz LDRXZVZCXUTHFZ-QRVBRYPASA-N 1 0 389.496 3.589 20 30 GHEDRO C=CCOc1ccc(CN[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)cc1OC ZINC000414889863 852246174 /nfs/dbraw/zinc/24/61/74/852246174.db2.gz SWOAVLBDRNMHBN-LEWJYISDSA-N 1 0 382.504 3.504 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)CCOCC2)c1 ZINC000912514356 852316389 /nfs/dbraw/zinc/31/63/89/852316389.db2.gz NGKYXZKKSXDIOD-UHFFFAOYSA-N 1 0 388.471 3.598 20 30 GHEDRO COc1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000329827028 862351967 /nfs/dbraw/zinc/35/19/67/862351967.db2.gz IVPRNCIFFZOZPI-FQEVSTJZSA-N 1 0 387.524 3.820 20 30 GHEDRO C=CCN(C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H](C)COC ZINC000664693721 852371470 /nfs/dbraw/zinc/37/14/70/852371470.db2.gz GEIBJNULIRLWCH-RHSMWYFYSA-N 1 0 387.446 3.541 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC000329829130 862353100 /nfs/dbraw/zinc/35/31/00/862353100.db2.gz JRCNLDLTWTVMAA-FFHGMXDLSA-N 1 0 396.457 3.881 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1)C(C)C ZINC000425646397 852451649 /nfs/dbraw/zinc/45/16/49/852451649.db2.gz BQOGAAARFCTUQR-RTWAWAEBSA-N 1 0 389.584 3.676 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000489681679 852529154 /nfs/dbraw/zinc/52/91/54/852529154.db2.gz DRGIDLXZPSCCKD-HSZRJFAPSA-N 1 0 377.463 3.826 20 30 GHEDRO CCOc1cc2c(cc1OCC)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000489682342 852530187 /nfs/dbraw/zinc/53/01/87/852530187.db2.gz WPRVJNZPUILPSJ-UHFFFAOYSA-N 1 0 393.487 3.743 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000438563327 852559674 /nfs/dbraw/zinc/55/96/74/852559674.db2.gz NBBHWWYXQAXQMB-UHFFFAOYSA-N 1 0 382.552 3.719 20 30 GHEDRO Cc1nc(SCC(=O)Nc2ccccc2CC[NH+](C)C)c(C#N)c(C)c1C ZINC000438556941 852570895 /nfs/dbraw/zinc/57/08/95/852570895.db2.gz ZDLXKUXYMFIZJD-UHFFFAOYSA-N 1 0 382.533 3.713 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489898604 852632878 /nfs/dbraw/zinc/63/28/78/852632878.db2.gz HSXJFHPCGCTTOT-AWEZNQCLSA-N 1 0 378.398 3.699 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1C(F)(F)F ZINC000438636795 852656042 /nfs/dbraw/zinc/65/60/42/852656042.db2.gz LSRLPITUAHLBDY-INIZCTEOSA-N 1 0 380.414 3.963 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1OCCc2sccc21 ZINC000429179173 862380782 /nfs/dbraw/zinc/38/07/82/862380782.db2.gz GQVVQLBUANKJOQ-ADLMAVQZSA-N 1 0 375.881 3.504 20 30 GHEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCC(=O)c2cccn21 ZINC000329869179 862386466 /nfs/dbraw/zinc/38/64/66/862386466.db2.gz YLAWEGGFNHFHLP-KRWDZBQOSA-N 1 0 375.538 3.714 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000505975738 852776969 /nfs/dbraw/zinc/77/69/69/852776969.db2.gz HIUSDTYUVMYELW-IBGZPJMESA-N 1 0 384.455 3.909 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O ZINC000426160295 852866283 /nfs/dbraw/zinc/86/62/83/852866283.db2.gz JKJQJPPLFSMHPQ-LPHOPBHVSA-N 1 0 397.494 3.991 20 30 GHEDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)c2)C1 ZINC000912927092 852917232 /nfs/dbraw/zinc/91/72/32/852917232.db2.gz VAHBNMXKEWDJTH-JOCHJYFZSA-N 1 0 388.515 3.782 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427272756 852924423 /nfs/dbraw/zinc/92/44/23/852924423.db2.gz JYWLISRUKJJOQD-UHFFFAOYSA-N 1 0 388.519 3.547 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429645568 853018834 /nfs/dbraw/zinc/01/88/34/853018834.db2.gz UWPICYCQBDVWTI-UHFFFAOYSA-N 1 0 393.535 3.658 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000329932080 862435882 /nfs/dbraw/zinc/43/58/82/862435882.db2.gz AVWPSMXDMHFJOW-CQSZACIVSA-N 1 0 393.890 3.663 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cc1c(F)cccc1C#N ZINC000507705894 853208379 /nfs/dbraw/zinc/20/83/79/853208379.db2.gz KRBXUVUOUPMHBF-JOCHJYFZSA-N 1 0 393.506 3.829 20 30 GHEDRO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000437535612 853238026 /nfs/dbraw/zinc/23/80/26/853238026.db2.gz LXQLLGAUAVARPT-QZTJIDSGSA-N 1 0 396.478 3.533 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)NCCSCc2ccccc2C#N)([NH+](C)C)C1 ZINC000518366636 853253350 /nfs/dbraw/zinc/25/33/50/853253350.db2.gz ZGOZGWGQYBCHRN-DYESRHJHSA-N 1 0 388.581 3.601 20 30 GHEDRO N#Cc1cccnc1NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000029620638 853297675 /nfs/dbraw/zinc/29/76/75/853297675.db2.gz QQMBCGSSNYPFCS-UHFFFAOYSA-N 1 0 383.499 3.888 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000437641320 853353525 /nfs/dbraw/zinc/35/35/25/853353525.db2.gz PNMFOVMJVUNNGY-FKBYEOEOSA-N 1 0 385.552 3.740 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000437655289 853382820 /nfs/dbraw/zinc/38/28/20/853382820.db2.gz XVNOQJRROJDTIK-VCOUNFBDSA-N 1 0 385.552 3.699 20 30 GHEDRO CCN(C(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000517132974 853418221 /nfs/dbraw/zinc/41/82/21/853418221.db2.gz GAOKSLAQGOYPHH-GOSISDBHSA-N 1 0 383.536 3.971 20 30 GHEDRO Cc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000017517691 853481512 /nfs/dbraw/zinc/48/15/12/853481512.db2.gz UKXFVXKOMJVMLI-UHFFFAOYSA-N 1 0 382.508 3.911 20 30 GHEDRO [NH3+]CC[C@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)F ZINC000414991304 853488388 /nfs/dbraw/zinc/48/83/88/853488388.db2.gz PECNZJDJHFUDDV-JQWIXIFHSA-N 1 0 380.279 3.631 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519836446 853526101 /nfs/dbraw/zinc/52/61/01/853526101.db2.gz AVKWHAJBCOHOKN-IERDGZPVSA-N 1 0 377.463 3.508 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000517249219 853565277 /nfs/dbraw/zinc/56/52/77/853565277.db2.gz SNSBYSJSEQGHJN-LJQANCHMSA-N 1 0 382.556 3.942 20 30 GHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437846095 853587481 /nfs/dbraw/zinc/58/74/81/853587481.db2.gz XKVURHINRDIZMP-FQEVSTJZSA-N 1 0 396.535 3.580 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccccc1OCC#N ZINC000171445510 853660297 /nfs/dbraw/zinc/66/02/97/853660297.db2.gz ANWLUTHWQDFAHL-UHFFFAOYSA-N 1 0 381.501 3.699 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(COc3ccccc3)c2)CC1 ZINC000517335120 853684202 /nfs/dbraw/zinc/68/42/02/853684202.db2.gz JNSNCBIZVNCCAW-UHFFFAOYSA-N 1 0 379.504 3.715 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000517335256 853684608 /nfs/dbraw/zinc/68/46/08/853684608.db2.gz KTAWNWYBUZRGDE-INIZCTEOSA-N 1 0 381.451 3.950 20 30 GHEDRO C=CCC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccc(C(F)(F)F)cc1 ZINC000440855243 853704305 /nfs/dbraw/zinc/70/43/05/853704305.db2.gz FMORFQYPMOQNJP-QZTJIDSGSA-N 1 0 399.457 3.733 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000520002730 853726976 /nfs/dbraw/zinc/72/69/76/853726976.db2.gz SQHOTFRNYDTLSN-JPYJTQIMSA-N 1 0 391.515 3.525 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000760661604 853741767 /nfs/dbraw/zinc/74/17/67/853741767.db2.gz YLRBJGFEXAUSOX-UHFFFAOYSA-N 1 0 398.551 3.764 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c(OC)c1 ZINC000055290460 853781561 /nfs/dbraw/zinc/78/15/61/853781561.db2.gz LEGBVBFQDINHGB-QFIPXVFZSA-N 1 0 397.515 3.749 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000571459740 853883742 /nfs/dbraw/zinc/88/37/42/853883742.db2.gz VPTFVSLZRGGJSH-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO COC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000330037373 862523780 /nfs/dbraw/zinc/52/37/80/862523780.db2.gz ZBQDPHGICPWAGM-FQEVSTJZSA-N 1 0 377.504 3.814 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCCN2CC)cc1OC ZINC000520390615 854164068 /nfs/dbraw/zinc/16/40/68/854164068.db2.gz CNBMQELBKKYPSK-MRXNPFEDSA-N 1 0 397.357 3.987 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000588216038 854219646 /nfs/dbraw/zinc/21/96/46/854219646.db2.gz RTPMFQAJFVYFBT-NYHFZMIOSA-N 1 0 384.499 3.929 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000572081969 854350464 /nfs/dbraw/zinc/35/04/64/854350464.db2.gz ZMJRYXRBJWHAFM-DEOSSOPVSA-N 1 0 393.531 3.680 20 30 GHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)Cc2ccccc2)nnc1-c1ccccc1 ZINC000588689196 854358888 /nfs/dbraw/zinc/35/88/88/854358888.db2.gz NCRFSUAFFGDHMB-FQEVSTJZSA-N 1 0 394.544 3.716 20 30 GHEDRO Cc1oc(NC(=O)CN2CCCCC[C@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156937615 854481328 /nfs/dbraw/zinc/48/13/28/854481328.db2.gz JJEIXMLVIXARIE-WMZOPIPTSA-N 1 0 385.464 3.668 20 30 GHEDRO CS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000328607045 854481591 /nfs/dbraw/zinc/48/15/91/854481591.db2.gz KWIABGWLMPJEIZ-ZFWWWQNUSA-N 1 0 393.509 3.566 20 30 GHEDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328738216 854522623 /nfs/dbraw/zinc/52/26/23/854522623.db2.gz KRHRFPFIDSNGNU-QGZVFWFLSA-N 1 0 376.545 3.578 20 30 GHEDRO Cn1cc2c(n1)CCC[C@H]2NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000328759942 854530619 /nfs/dbraw/zinc/53/06/19/854530619.db2.gz WUOAUOJFDCITMB-OAQYLSRUSA-N 1 0 395.551 3.877 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000674003863 862581804 /nfs/dbraw/zinc/58/18/04/862581804.db2.gz MCFIIKVWNDENDT-UHFFFAOYSA-N 1 0 394.519 3.574 20 30 GHEDRO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)C2)[nH]n1 ZINC000328832099 854566795 /nfs/dbraw/zinc/56/67/95/854566795.db2.gz VOVHAVIAEDVJBH-TZIWHRDSSA-N 1 0 381.524 3.649 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1cccc2ccccc21 ZINC000328846100 854573807 /nfs/dbraw/zinc/57/38/07/854573807.db2.gz VLHNSSXKUHKHMU-FBEWHJACSA-N 1 0 382.504 3.719 20 30 GHEDRO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1cccs1 ZINC000328864656 854585414 /nfs/dbraw/zinc/58/54/14/854585414.db2.gz ZJTIYEVVGFWJRV-WFXMFSGNSA-N 1 0 380.554 3.654 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCc2cc(OC)ccc2C1)C(C)C ZINC000520437310 854604401 /nfs/dbraw/zinc/60/44/01/854604401.db2.gz PELYDAUQCKWDDS-QFIPXVFZSA-N 1 0 385.552 3.852 20 30 GHEDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000330462403 854672785 /nfs/dbraw/zinc/67/27/85/854672785.db2.gz BEPMEICBLCSDOI-UHFFFAOYSA-N 1 0 384.274 3.843 20 30 GHEDRO CSc1nc(C2CC2)cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c1C#N ZINC000589136979 854684722 /nfs/dbraw/zinc/68/47/22/854684722.db2.gz VMYAUISJGAWVLS-AGUYFDCRSA-N 1 0 381.505 3.943 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1C#N ZINC000481999071 862594997 /nfs/dbraw/zinc/59/49/97/862594997.db2.gz MWGOKESCQSSRMS-UHFFFAOYSA-N 1 0 398.507 3.553 20 30 GHEDRO C[NH+](C)CCN(Cc1c[nH]nc1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000589194617 854741342 /nfs/dbraw/zinc/74/13/42/854741342.db2.gz WAKZLDKEGBQXLC-UHFFFAOYSA-N 1 0 377.467 3.651 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000589284613 854783338 /nfs/dbraw/zinc/78/33/38/854783338.db2.gz ILBYUEABBSVCIB-KPOBHBOGSA-N 1 0 382.895 3.574 20 30 GHEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000589290829 854785917 /nfs/dbraw/zinc/78/59/17/854785917.db2.gz CTLRKYUQDIUNRF-DEOSSOPVSA-N 1 0 399.494 3.757 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000589343250 854799841 /nfs/dbraw/zinc/79/98/41/854799841.db2.gz COXPELAWGMQGKD-RBUKOAKNSA-N 1 0 396.288 3.703 20 30 GHEDRO COc1cc(OC)cc(OCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000589315671 854805988 /nfs/dbraw/zinc/80/59/88/854805988.db2.gz ORJMYGDUDACOEN-UHFFFAOYSA-N 1 0 380.366 3.763 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)cc1 ZINC000186264543 854818564 /nfs/dbraw/zinc/81/85/64/854818564.db2.gz YFKDQVAZCXHOFX-QGZVFWFLSA-N 1 0 385.533 3.748 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000589364635 854829989 /nfs/dbraw/zinc/82/99/89/854829989.db2.gz JIEXCKJPTSYIKA-IAGOWNOFSA-N 1 0 393.491 3.987 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000520450119 854884072 /nfs/dbraw/zinc/88/40/72/854884072.db2.gz BMXXVQWYJNTPPD-UHFFFAOYSA-N 1 0 390.487 3.509 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N(C)Cc2cc(C#N)cs2)[NH+](C)C)cc1 ZINC000895057050 854899251 /nfs/dbraw/zinc/89/92/51/854899251.db2.gz DCYDIEMZSDYADU-GOSISDBHSA-N 1 0 388.562 3.786 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589497640 854910163 /nfs/dbraw/zinc/91/01/63/854910163.db2.gz YTLGDJRWLVXGQD-CALCHBBNSA-N 1 0 394.485 3.567 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000572661804 854924191 /nfs/dbraw/zinc/92/41/91/854924191.db2.gz SLQGQZFGSOLWKP-UHFFFAOYSA-N 1 0 377.366 3.813 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(Cc1cccs1)C1CC1 ZINC000669335848 855044490 /nfs/dbraw/zinc/04/44/90/855044490.db2.gz YZSTYPUCPNHYBG-MJGOQNOKSA-N 1 0 399.564 3.620 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3cccc(CC#N)c3)cc2)C1 ZINC000589587765 855072571 /nfs/dbraw/zinc/07/25/71/855072571.db2.gz RXXOLDWDMJASMI-KRWDZBQOSA-N 1 0 383.517 3.785 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC000669335359 855076345 /nfs/dbraw/zinc/07/63/45/855076345.db2.gz LKUVPGTZJUXSIK-MOPGFXCFSA-N 1 0 399.926 3.564 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cc(C#N)ccn1 ZINC000553546996 855099289 /nfs/dbraw/zinc/09/92/89/855099289.db2.gz SYVRPGGLNGIJEQ-JOCHJYFZSA-N 1 0 390.531 3.759 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H](C)c1cccs1)[n+]1ccccc1 ZINC000186966085 862641483 /nfs/dbraw/zinc/64/14/83/862641483.db2.gz VVEPFDZJFDOVNQ-GFCCVEGCSA-O 1 0 386.522 3.930 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000589742989 855119925 /nfs/dbraw/zinc/11/99/25/855119925.db2.gz QBUJAVVKECRUQQ-ZDFPQIBNSA-N 1 0 383.536 3.585 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000542673260 855186189 /nfs/dbraw/zinc/18/61/89/855186189.db2.gz DITJLZKPBYCLIX-JKSUJKDBSA-N 1 0 396.466 3.833 20 30 GHEDRO COc1ccc([C@@H]2C[C@H]([NH+]3CCN(c4ccccc4C#N)CC3)CCO2)cc1 ZINC001168627780 855190756 /nfs/dbraw/zinc/19/07/56/855190756.db2.gz BVVZKKXYKGOSOO-OFNKIYASSA-N 1 0 377.488 3.609 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)[C@@H]2C1 ZINC000590045295 855249753 /nfs/dbraw/zinc/24/97/53/855249753.db2.gz ONMNGHLWAMTCCN-DNVCBOLYSA-N 1 0 381.863 3.780 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1=O ZINC000473987498 855272581 /nfs/dbraw/zinc/27/25/81/855272581.db2.gz NZYJAIJRQHGZIO-MOPGFXCFSA-N 1 0 399.535 3.590 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc1N1CCNC1=O ZINC000330208191 862661790 /nfs/dbraw/zinc/66/17/90/862661790.db2.gz GNRMOQWHJGALCD-SFHVURJKSA-N 1 0 387.528 3.565 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)c(C#N)c1C ZINC000590195089 855317795 /nfs/dbraw/zinc/31/77/95/855317795.db2.gz WGNGGKZDIXCDAG-JTQLQIEISA-N 1 0 394.244 3.959 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273412671 855359636 /nfs/dbraw/zinc/35/96/36/855359636.db2.gz IOHQMARRBPOLHA-NHCUHLMSSA-N 1 0 381.451 3.878 20 30 GHEDRO N#CC1(CC(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000590413996 855396798 /nfs/dbraw/zinc/39/67/98/855396798.db2.gz HTRGTWQKXPBKQL-QFIPXVFZSA-N 1 0 388.515 3.769 20 30 GHEDRO O=C(NCCc1cccs1)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000157949368 862681201 /nfs/dbraw/zinc/68/12/01/862681201.db2.gz JMUPUNUSFXFXJW-UHFFFAOYSA-N 1 0 386.948 3.824 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466603057 862688222 /nfs/dbraw/zinc/68/82/22/862688222.db2.gz WSJSXMCIVLVXDG-PKOBYXMFSA-N 1 0 393.491 3.721 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000590674074 855542142 /nfs/dbraw/zinc/54/21/42/855542142.db2.gz BAGAGWNPSQWHPF-SFHVURJKSA-N 1 0 398.304 3.667 20 30 GHEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000330245945 862691762 /nfs/dbraw/zinc/69/17/62/862691762.db2.gz KZNQONQSMLCSGT-OXQOHEQNSA-N 1 0 379.508 3.600 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2nccc(C#N)n2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000590690436 855550046 /nfs/dbraw/zinc/55/00/46/855550046.db2.gz GBZBADSIRSMDJB-WMLDXEAASA-N 1 0 375.398 3.862 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1 ZINC000107821714 855561683 /nfs/dbraw/zinc/56/16/83/855561683.db2.gz HHOATGQJJVGQLJ-GOSISDBHSA-N 1 0 391.487 3.546 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](c3cccs3)C3(CO)CCC3)C2=O)cc1 ZINC000590765335 855566570 /nfs/dbraw/zinc/56/65/70/855566570.db2.gz MHJREQUCJZHHIZ-ICSRJNTNSA-N 1 0 395.528 3.609 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000590889422 855626689 /nfs/dbraw/zinc/62/66/89/855626689.db2.gz SCAXQVKEEPFBNP-NRFANRHFSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H]1CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000590939402 855664974 /nfs/dbraw/zinc/66/49/74/855664974.db2.gz CTGPCGWZYOGTSL-JPYJTQIMSA-N 1 0 388.515 3.709 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3c(C#N)cnc4ccc(Cl)cc43)cn2)CC1 ZINC000301379852 855683197 /nfs/dbraw/zinc/68/31/97/855683197.db2.gz ZPDNAEXCMVCKCH-UHFFFAOYSA-N 1 0 392.894 3.519 20 30 GHEDRO CC1CCC([NH+]2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)CC1 ZINC000301401098 855689219 /nfs/dbraw/zinc/68/92/19/855689219.db2.gz QEAUWXCTRHPSII-UHFFFAOYSA-N 1 0 379.464 3.715 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000301566322 855717485 /nfs/dbraw/zinc/71/74/85/855717485.db2.gz PYSWZCYJTIHHGG-GJZGRUSLSA-N 1 0 396.457 3.688 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3c(C#N)cnc4ccccc43)C2)cc(OC)c1 ZINC000301589922 855720121 /nfs/dbraw/zinc/72/01/21/855720121.db2.gz YIHXFLLBDDKTPM-SFHVURJKSA-N 1 0 388.471 3.810 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000056936369 855727661 /nfs/dbraw/zinc/72/76/61/855727661.db2.gz NVOLDSIUAMOZRU-NRFANRHFSA-N 1 0 382.483 3.922 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)cc1 ZINC000591049124 855736646 /nfs/dbraw/zinc/73/66/46/855736646.db2.gz VKKPBZKYRGCSAJ-GGAORHGYSA-N 1 0 376.500 3.762 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459115811 855746206 /nfs/dbraw/zinc/74/62/06/855746206.db2.gz JHHQBTVZYUJZSU-HXUWFJFHSA-N 1 0 380.467 3.503 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000441617438 855771141 /nfs/dbraw/zinc/77/11/41/855771141.db2.gz VPNYGGWHTZLOTQ-UHFFFAOYSA-N 1 0 378.476 3.596 20 30 GHEDRO N#Cc1ccc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301879446 855775259 /nfs/dbraw/zinc/77/52/59/855775259.db2.gz OZKHYRFTKBLCLF-DLBZAZTESA-N 1 0 375.394 3.624 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301887345 855776225 /nfs/dbraw/zinc/77/62/25/855776225.db2.gz QSRDZJHTBFRCCG-ZWKOTPCHSA-N 1 0 375.394 3.624 20 30 GHEDRO N#Cc1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000302056071 855808547 /nfs/dbraw/zinc/80/85/47/855808547.db2.gz ZIYUBGJAESGTFC-UHFFFAOYSA-N 1 0 392.341 3.650 20 30 GHEDRO CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000157260427 855849200 /nfs/dbraw/zinc/84/92/00/855849200.db2.gz VWZXSBHFGVRNEM-PGRDOPGGSA-N 1 0 376.504 3.925 20 30 GHEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1C#N ZINC000302417170 855864122 /nfs/dbraw/zinc/86/41/22/855864122.db2.gz IBOHCWKYKRTLID-HXUWFJFHSA-N 1 0 389.421 3.650 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000591282122 855882807 /nfs/dbraw/zinc/88/28/07/855882807.db2.gz PGHNYPMXOVHJHB-SFHVURJKSA-N 1 0 386.402 3.778 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000591284624 855884028 /nfs/dbraw/zinc/88/40/28/855884028.db2.gz RBMQQMCNBPBGHV-UHFFFAOYSA-N 1 0 380.448 3.704 20 30 GHEDRO C[N@H+](CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465761957 855891873 /nfs/dbraw/zinc/89/18/73/855891873.db2.gz VFPCSBAFOVYUAR-FCHUYYIVSA-N 1 0 376.504 3.600 20 30 GHEDRO N#Cc1cc2c(nc1NC[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000302805014 855938780 /nfs/dbraw/zinc/93/87/80/855938780.db2.gz WKCNZEKOJNHOFF-NRFANRHFSA-N 1 0 376.504 3.535 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000591358975 855950109 /nfs/dbraw/zinc/95/01/09/855950109.db2.gz WLFFUQZNTFOTBD-NRFANRHFSA-N 1 0 380.467 3.551 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000591356165 855950432 /nfs/dbraw/zinc/95/04/32/855950432.db2.gz DCNFNTWWWTTYKX-FGZHOGPDSA-N 1 0 388.515 3.756 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000542815176 855984856 /nfs/dbraw/zinc/98/48/56/855984856.db2.gz OROYYQZJSNFIQV-OALUTQOASA-N 1 0 382.552 4.000 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000123169445 856020905 /nfs/dbraw/zinc/02/09/05/856020905.db2.gz CTMCMAGMMHOZJB-SFHVURJKSA-N 1 0 387.405 3.890 20 30 GHEDRO N#Cc1ccc(SCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000171287926 856074671 /nfs/dbraw/zinc/07/46/71/856074671.db2.gz LEPFGDLHAHNRAL-UHFFFAOYSA-N 1 0 379.529 3.679 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000591763821 856231499 /nfs/dbraw/zinc/23/14/99/856231499.db2.gz KVUIKDOTYJPSDT-QAPCUYQASA-N 1 0 376.378 3.594 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000171769770 862775196 /nfs/dbraw/zinc/77/51/96/862775196.db2.gz KMQXVULYFLELLI-UHFFFAOYSA-N 1 0 385.261 3.653 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485235183 856266191 /nfs/dbraw/zinc/26/61/91/856266191.db2.gz VDTXMDHAUAJNBX-OXQOHEQNSA-N 1 0 393.487 3.812 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000172135859 856349960 /nfs/dbraw/zinc/34/99/60/856349960.db2.gz XPJGBOQUBPUPKP-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000109661978 856352359 /nfs/dbraw/zinc/35/23/59/856352359.db2.gz CILOWJIQVVTNIZ-NZQKXSOJSA-N 1 0 397.563 3.932 20 30 GHEDRO N#Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000172229967 856375115 /nfs/dbraw/zinc/37/51/15/856375115.db2.gz SUSJHVUEBANURH-LJQANCHMSA-N 1 0 387.405 3.510 20 30 GHEDRO C=C1CCC(C[NH2+]C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 ZINC000905567063 856399395 /nfs/dbraw/zinc/39/93/95/856399395.db2.gz XRPBYHUROBKNHW-IBGZPJMESA-N 1 0 396.453 3.503 20 30 GHEDRO CN(C(=O)CSc1ccc(C#N)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126886184 856409680 /nfs/dbraw/zinc/40/96/80/856409680.db2.gz MLCIDGOBNIDHBH-UHFFFAOYSA-N 1 0 395.528 3.788 20 30 GHEDRO CC(C)(C)OC(=O)c1cccnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591894662 856410248 /nfs/dbraw/zinc/41/02/48/856410248.db2.gz WKKOXVDKFMCVRI-UHFFFAOYSA-N 1 0 392.503 3.621 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000250707282 856411986 /nfs/dbraw/zinc/41/19/86/856411986.db2.gz ZCZHYUXGOXQAOE-JZWVFAODSA-N 1 0 391.515 3.913 20 30 GHEDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000554890061 856445107 /nfs/dbraw/zinc/44/51/07/856445107.db2.gz SAXBZWPKWIFYMO-FQEVSTJZSA-N 1 0 391.515 3.875 20 30 GHEDRO CCc1cccc(CC)c1NC(=O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000046086848 856446829 /nfs/dbraw/zinc/44/68/29/856446829.db2.gz YSYCQFSRKOLQMC-UHFFFAOYSA-N 1 0 390.531 3.834 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cc(C#N)ccc2F)CCOCC1)c1ccccc1 ZINC000888357349 856467529 /nfs/dbraw/zinc/46/75/29/856467529.db2.gz DPNCVYRCZIYGTP-MRXNPFEDSA-N 1 0 396.466 3.719 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000592278558 856734057 /nfs/dbraw/zinc/73/40/57/856734057.db2.gz WUKKDJGESFUEAC-UHFFFAOYSA-N 1 0 392.916 3.558 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000674779382 856783235 /nfs/dbraw/zinc/78/32/35/856783235.db2.gz VMXIFBPRUYYUFY-GOSISDBHSA-N 1 0 392.341 3.946 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000467431549 856816064 /nfs/dbraw/zinc/81/60/64/856816064.db2.gz AUYKUWXEZVHKGY-CQSZACIVSA-N 1 0 386.293 3.870 20 30 GHEDRO CNC(=O)[C@H](C[NH2+]Cc1ccc(C#N)c(C)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000592379066 856823580 /nfs/dbraw/zinc/82/35/80/856823580.db2.gz LAWTYQCSDSHULB-SFHVURJKSA-N 1 0 389.421 3.580 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Cc1ccc(F)cc1C ZINC000592391604 856829115 /nfs/dbraw/zinc/82/91/15/856829115.db2.gz IHENXPINUQMJHP-KNQAVFIVSA-N 1 0 379.479 3.578 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508045630 856848996 /nfs/dbraw/zinc/84/89/96/856848996.db2.gz HOPMZHWKFFBQIU-LJQANCHMSA-N 1 0 379.508 3.901 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000427907106 856862901 /nfs/dbraw/zinc/86/29/01/856862901.db2.gz SWNRGKJQYRFPML-OAHLLOKOSA-N 1 0 382.895 3.769 20 30 GHEDRO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000485653584 856882818 /nfs/dbraw/zinc/88/28/18/856882818.db2.gz GMSYYVIZJVAAFR-FQEVSTJZSA-N 1 0 378.476 3.916 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000170946196 856950491 /nfs/dbraw/zinc/95/04/91/856950491.db2.gz ZMZWKPFGLOEXAO-UHFFFAOYSA-N 1 0 379.291 3.559 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1C#N ZINC000173560722 856995171 /nfs/dbraw/zinc/99/51/71/856995171.db2.gz MSMHLTSGPWMSHR-PXNSSMCTSA-N 1 0 380.492 3.821 20 30 GHEDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485768647 857055743 /nfs/dbraw/zinc/05/57/43/857055743.db2.gz FAEIVVHZHSGEDE-FQEVSTJZSA-N 1 0 393.487 3.593 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000508244120 857094932 /nfs/dbraw/zinc/09/49/32/857094932.db2.gz VCBPFHMWAIQICM-UHFFFAOYSA-N 1 0 394.475 3.967 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)ccc1OC ZINC000733329896 862871327 /nfs/dbraw/zinc/87/13/27/862871327.db2.gz DXMLKPDJWRBOLV-BEFAXECRSA-N 1 0 396.487 3.998 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000112521937 857143986 /nfs/dbraw/zinc/14/39/86/857143986.db2.gz PWZRMXDPKYHCPC-STQMWFEESA-N 1 0 396.516 3.745 20 30 GHEDRO CN1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245730053 857145646 /nfs/dbraw/zinc/14/56/46/857145646.db2.gz SSUFAZDOZVNBIM-HRAATJIYSA-N 1 0 397.885 3.781 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1 ZINC000485871582 857173304 /nfs/dbraw/zinc/17/33/04/857173304.db2.gz QACNWGUTFMIFKD-DNVJHFABSA-N 1 0 394.540 3.990 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)CC2CCCCC2)sc2c1CCCC2 ZINC000485892672 857198985 /nfs/dbraw/zinc/19/89/85/857198985.db2.gz ZAFREBNFVPRUOX-UHFFFAOYSA-N 1 0 389.565 3.702 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000174127120 857213992 /nfs/dbraw/zinc/21/39/92/857213992.db2.gz PPICBTFWNDCGER-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 ZINC000246139846 857246969 /nfs/dbraw/zinc/24/69/69/857246969.db2.gz AVFTVOKTQCZUAG-PGRDOPGGSA-N 1 0 390.531 3.767 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000246324721 857348417 /nfs/dbraw/zinc/34/84/17/857348417.db2.gz DGZUZKNRJUIBEQ-FDDCHVKYSA-N 1 0 391.515 3.794 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(C)(C)c1ccc(C#N)cc1)C1CC1 ZINC001128243280 857365661 /nfs/dbraw/zinc/36/56/61/857365661.db2.gz KEHBUOWQDYTWHB-QFIPXVFZSA-N 1 0 375.516 3.863 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246441685 857380439 /nfs/dbraw/zinc/38/04/39/857380439.db2.gz UEBULYUIGTYIQN-QUCCMNQESA-N 1 0 382.533 3.844 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000174766906 857382020 /nfs/dbraw/zinc/38/20/20/857382020.db2.gz BNELSZDYMUQSKM-VQIMIIECSA-N 1 0 386.496 3.641 20 30 GHEDRO CCc1ccccc1NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643691 857416712 /nfs/dbraw/zinc/41/67/12/857416712.db2.gz WQAMEWGEKXYWBV-LJQANCHMSA-N 1 0 390.531 3.656 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000042643467 857417192 /nfs/dbraw/zinc/41/71/92/857417192.db2.gz ISGQVQUDJZSIBP-HXUWFJFHSA-N 1 0 390.531 3.710 20 30 GHEDRO N#Cc1ccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000175068157 857430540 /nfs/dbraw/zinc/43/05/40/857430540.db2.gz BZBGBBALYTVMDW-UHFFFAOYSA-N 1 0 392.503 3.751 20 30 GHEDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000113335044 857434733 /nfs/dbraw/zinc/43/47/33/857434733.db2.gz FKISAQJAKWUMLP-FQEVSTJZSA-N 1 0 388.471 3.566 20 30 GHEDRO CCNC(=O)c1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000113325605 857451766 /nfs/dbraw/zinc/45/17/66/857451766.db2.gz NJUZLAGNIPSDNE-UHFFFAOYSA-N 1 0 387.487 3.503 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)o2)cc1 ZINC000282233279 857488031 /nfs/dbraw/zinc/48/80/31/857488031.db2.gz ZNZJPCSBTMLLQC-SFHVURJKSA-N 1 0 388.475 3.521 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000486180533 857519707 /nfs/dbraw/zinc/51/97/07/857519707.db2.gz WXBJBKYCLBFFDI-UHFFFAOYSA-N 1 0 377.479 3.726 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc(F)c(C#N)c2)CCOCC1)c1ccccc1 ZINC000113565488 857571984 /nfs/dbraw/zinc/57/19/84/857571984.db2.gz QTCLRIABSBGUQG-MRXNPFEDSA-N 1 0 396.466 3.719 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1OC(F)(F)F ZINC000442181769 857590683 /nfs/dbraw/zinc/59/06/83/857590683.db2.gz DJUMWYUKLSGJKT-OAHLLOKOSA-N 1 0 382.386 3.549 20 30 GHEDRO C[C@H](NC(=O)c1ccc(Br)cc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC001128299155 857608281 /nfs/dbraw/zinc/60/82/81/857608281.db2.gz IDFZOJWEKSPGCY-SCLBCKFNSA-N 1 0 386.293 3.742 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593535808 857616110 /nfs/dbraw/zinc/61/61/10/857616110.db2.gz PUQWJEHNUZVOPQ-XLIONFOSSA-N 1 0 397.544 3.602 20 30 GHEDRO C[C@H](CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000593556109 857624151 /nfs/dbraw/zinc/62/41/51/857624151.db2.gz JOYKMBPSLLFRIM-GOSISDBHSA-N 1 0 399.560 3.677 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001128301815 857626739 /nfs/dbraw/zinc/62/67/39/857626739.db2.gz LIBPBPHAMXIAEX-OAQYLSRUSA-N 1 0 377.488 3.597 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)([NH+](C)C)C1 ZINC000521113926 857633899 /nfs/dbraw/zinc/63/38/99/857633899.db2.gz IYGHKGRYWRVUPO-GAJHUEQPSA-N 1 0 392.503 3.986 20 30 GHEDRO Cc1ccc(NC(=O)Cc2c(C)cc(C#N)cc2C)cc1NC(=O)CC[NH+](C)C ZINC000907421053 857636172 /nfs/dbraw/zinc/63/61/72/857636172.db2.gz LCHGDXJTGGBLAY-UHFFFAOYSA-N 1 0 392.503 3.555 20 30 GHEDRO COc1ccc(CN2CC[N@H+](C)C[C@H]2Cc2ccccc2)cc1OCCCC#N ZINC000593679600 857656788 /nfs/dbraw/zinc/65/67/88/857656788.db2.gz MBZFGPKQKBYDLO-JOCHJYFZSA-N 1 0 393.531 3.736 20 30 GHEDRO COc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000521161760 857685113 /nfs/dbraw/zinc/68/51/13/857685113.db2.gz GOWHVSWPRGAWRW-GOSISDBHSA-N 1 0 392.503 3.545 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC4(CC[NH2+]CC4)CC3)s2)cc1 ZINC000521212796 857739488 /nfs/dbraw/zinc/73/94/88/857739488.db2.gz UHWJTNOHOYWXCV-UHFFFAOYSA-N 1 0 395.532 3.603 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C(F)(F)F)nn(CC)c2C(F)F)CC1 ZINC000676172659 857762273 /nfs/dbraw/zinc/76/22/73/857762273.db2.gz XLBFDBDCGYXPRC-UHFFFAOYSA-N 1 0 394.388 3.630 20 30 GHEDRO Cc1nc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)ccc1C#N ZINC000486571101 857874191 /nfs/dbraw/zinc/87/41/91/857874191.db2.gz KZSVWHRIVIPMJZ-FQEVSTJZSA-N 1 0 398.457 3.885 20 30 GHEDRO CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200495 857936963 /nfs/dbraw/zinc/93/69/63/857936963.db2.gz KMGULJJXFYQOPP-UHFFFAOYSA-N 1 0 396.922 3.747 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000521406091 857942713 /nfs/dbraw/zinc/94/27/13/857942713.db2.gz IANKJKRFHSOWEH-MSOLQXFVSA-N 1 0 376.460 3.732 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)oc1C ZINC000281322749 862971363 /nfs/dbraw/zinc/97/13/63/862971363.db2.gz PGRAVUAQWOVBIK-SFHVURJKSA-N 1 0 389.459 3.664 20 30 GHEDRO COc1cc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)ccc1C#N ZINC000442796653 858140262 /nfs/dbraw/zinc/14/02/62/858140262.db2.gz GJCIXXIWLJJWET-UHFFFAOYSA-N 1 0 399.878 3.777 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(CCc2nccs2)C(C)C)c1 ZINC000159781676 862991590 /nfs/dbraw/zinc/99/15/90/862991590.db2.gz POPTWWUWGFSLRQ-UHFFFAOYSA-N 1 0 384.549 3.960 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000594430166 858174206 /nfs/dbraw/zinc/17/42/06/858174206.db2.gz ZOUXLVXEZAKISB-CYBMUJFWSA-N 1 0 380.420 3.761 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000594429816 858174377 /nfs/dbraw/zinc/17/43/77/858174377.db2.gz WPYQGBFMBCLCEU-DLBZAZTESA-N 1 0 378.314 3.818 20 30 GHEDRO COc1cccc([C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2Cl)c1 ZINC000594433073 858175474 /nfs/dbraw/zinc/17/54/74/858175474.db2.gz KSZKTLNLWDZKAT-UXHICEINSA-N 1 0 385.895 3.965 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](c1ccccc1)C2 ZINC000594432516 858176084 /nfs/dbraw/zinc/17/60/84/858176084.db2.gz BYFFAWXLKUVPQT-YADHBBJMSA-N 1 0 377.488 3.732 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000594440071 858178308 /nfs/dbraw/zinc/17/83/08/858178308.db2.gz ZEADUQBKWVKNJS-INIZCTEOSA-N 1 0 383.402 3.858 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C1CCCCC1)C2 ZINC000594446751 858179175 /nfs/dbraw/zinc/17/91/75/858179175.db2.gz XFXTXDAMQSPUPG-YADHBBJMSA-N 1 0 383.536 3.940 20 30 GHEDRO COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442874597 858191286 /nfs/dbraw/zinc/19/12/86/858191286.db2.gz RDVOXEIHQYBLSJ-ONGXEEELSA-N 1 0 390.652 3.735 20 30 GHEDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCO1 ZINC000442891880 858213034 /nfs/dbraw/zinc/21/30/34/858213034.db2.gz OJEYPDPTNHOSHD-VBKZILBWSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000594565248 858223204 /nfs/dbraw/zinc/22/32/04/858223204.db2.gz UZHRFJFSRLCYBF-QZTJIDSGSA-N 1 0 396.304 3.640 20 30 GHEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)N(C)C)cc1OC ZINC000594918319 858304033 /nfs/dbraw/zinc/30/40/33/858304033.db2.gz NRGZNEIVKANNLW-FQEVSTJZSA-N 1 0 379.504 3.651 20 30 GHEDRO N#Cc1cc2c(n(CCc3ccccc3F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000594922317 858304742 /nfs/dbraw/zinc/30/47/42/858304742.db2.gz KHCZVHLEMDEBNW-UHFFFAOYSA-N 1 0 387.458 3.660 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000594919881 858305215 /nfs/dbraw/zinc/30/52/15/858305215.db2.gz CWDXTEZKGHDOQX-CVDCTZTESA-N 1 0 375.516 3.621 20 30 GHEDRO C[C@@H](COc1c(F)cccc1F)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000594973657 858335979 /nfs/dbraw/zinc/33/59/79/858335979.db2.gz PGVZLLXLUSMLIA-INIZCTEOSA-N 1 0 385.458 3.858 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H](CO)Cc3cccc(Br)c3)cc2)CC1 ZINC000594939897 858340555 /nfs/dbraw/zinc/34/05/55/858340555.db2.gz UTEWVINCMVOMTQ-GOSISDBHSA-N 1 0 399.332 3.945 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@H](CO)c3ccc(Br)c(F)c3)cc2)CC1 ZINC000594944393 858341884 /nfs/dbraw/zinc/34/18/84/858341884.db2.gz OUHBFFXMLJONQW-GOSISDBHSA-N 1 0 389.268 3.967 20 30 GHEDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000594963855 858347721 /nfs/dbraw/zinc/34/77/21/858347721.db2.gz KOYSUWQZZQJOSV-AKFKNWHVSA-N 1 0 394.515 3.793 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c(-c2ccccc2)n1 ZINC000594998091 858361638 /nfs/dbraw/zinc/36/16/38/858361638.db2.gz GPMSHRXNNMVVNU-HSZRJFAPSA-N 1 0 385.515 3.828 20 30 GHEDRO N#Cc1cccc(OCC[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000059402971 858361775 /nfs/dbraw/zinc/36/17/75/858361775.db2.gz GADSNIPSGAJTBW-HXUWFJFHSA-N 1 0 378.476 3.613 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(-c2ccccc2)n1 ZINC000594998093 858361881 /nfs/dbraw/zinc/36/18/81/858361881.db2.gz GPMSHRXNNMVVNU-QHCPKHFHSA-N 1 0 385.515 3.828 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000067062566 858415504 /nfs/dbraw/zinc/41/55/04/858415504.db2.gz OSXJLZKRTXKCCP-UHFFFAOYSA-N 1 0 376.504 3.612 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000521898806 858429104 /nfs/dbraw/zinc/42/91/04/858429104.db2.gz LLPIPFKORJHIGK-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000595271071 858458376 /nfs/dbraw/zinc/45/83/76/858458376.db2.gz XEFNKTPJGJLFQU-VXKWHMMOSA-N 1 0 392.478 3.541 20 30 GHEDRO N#Cc1ccc(CC[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)cc1 ZINC000595485496 858534014 /nfs/dbraw/zinc/53/40/14/858534014.db2.gz TYKJDOHLYTZBRV-UHFFFAOYSA-N 1 0 399.292 3.855 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000171093593 863042620 /nfs/dbraw/zinc/04/26/20/863042620.db2.gz LLESBPJRAADCGP-MRXNPFEDSA-N 1 0 383.473 3.557 20 30 GHEDRO COc1cc(C[NH+]2CCC([C@@H](C)CO)CC2)ccc1OCc1cccc(C#N)c1 ZINC000593083466 858620490 /nfs/dbraw/zinc/62/04/90/858620490.db2.gz NSPJLBVHCZKJKQ-SFHVURJKSA-N 1 0 394.515 3.986 20 30 GHEDRO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccc(CC#N)cc2)CO1 ZINC000595639426 858634537 /nfs/dbraw/zinc/63/45/37/858634537.db2.gz XWKOCFOPFWDKQO-FGZHOGPDSA-N 1 0 394.515 3.562 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000595639504 858634655 /nfs/dbraw/zinc/63/46/55/858634655.db2.gz KNXMPAJJVPBQGF-UHFFFAOYSA-N 1 0 393.384 3.857 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc(C#N)cc1 ZINC000595684717 858641107 /nfs/dbraw/zinc/64/11/07/858641107.db2.gz ABIXAOQEFHLETH-HSZRJFAPSA-N 1 0 390.531 3.654 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000595685572 858647204 /nfs/dbraw/zinc/64/72/04/858647204.db2.gz GQZPHXUKGQAIPY-UYAOXDASSA-N 1 0 382.533 3.545 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595789400 858688806 /nfs/dbraw/zinc/68/88/06/858688806.db2.gz MTMQESLSSUFTSF-SIXWZSSISA-N 1 0 375.900 3.820 20 30 GHEDRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000595971076 858736160 /nfs/dbraw/zinc/73/61/60/858736160.db2.gz PDPWUWIWSFDNKB-MJGOQNOKSA-N 1 0 397.441 3.920 20 30 GHEDRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000595971077 858736290 /nfs/dbraw/zinc/73/62/90/858736290.db2.gz PDPWUWIWSFDNKB-PKOBYXMFSA-N 1 0 397.441 3.920 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000330356882 863064024 /nfs/dbraw/zinc/06/40/24/863064024.db2.gz SECSWAQATHLRJI-WIYYLYMNSA-N 1 0 385.552 3.854 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NC(C)(C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000596230670 858822476 /nfs/dbraw/zinc/82/24/76/858822476.db2.gz BXEWYELEWWKXTE-LJQANCHMSA-N 1 0 380.492 3.831 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)NCC2(C#N)CCCCC2)CCOCC1)c1ccccc1 ZINC000596301954 858837481 /nfs/dbraw/zinc/83/74/81/858837481.db2.gz OCGQWFDZLRCFMF-LJQANCHMSA-N 1 0 398.551 3.660 20 30 GHEDRO C=CCc1cc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000051267847 858896499 /nfs/dbraw/zinc/89/64/99/858896499.db2.gz YZVZJWRAMVYFBH-UHFFFAOYSA-N 1 0 389.540 3.541 20 30 GHEDRO CCN(C(=O)NCCc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000596670210 858983908 /nfs/dbraw/zinc/98/39/08/858983908.db2.gz BLWJMDRZAFXTHO-XXBNENTESA-N 1 0 390.531 3.968 20 30 GHEDRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC[C@H]1C(F)(F)F ZINC000625857408 859031095 /nfs/dbraw/zinc/03/10/95/859031095.db2.gz LJUSRXRUYMWBNR-WCBMZHEXSA-N 1 0 387.299 3.836 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@H]1CC(C)C ZINC000466672006 859051050 /nfs/dbraw/zinc/05/10/50/859051050.db2.gz MXMRLDIXTPHTQA-IBGZPJMESA-N 1 0 388.556 3.852 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2occc2c1 ZINC000596724321 859054263 /nfs/dbraw/zinc/05/42/63/859054263.db2.gz NYPVIAVSQNWNDC-UHFFFAOYSA-N 1 0 376.460 3.578 20 30 GHEDRO CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000596728020 859058195 /nfs/dbraw/zinc/05/81/95/859058195.db2.gz OAIGOONSBXACFM-IBGZPJMESA-N 1 0 396.466 3.834 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000596797448 859081127 /nfs/dbraw/zinc/08/11/27/859081127.db2.gz SUCYQCSUAVIOSW-SFHVURJKSA-N 1 0 382.895 3.992 20 30 GHEDRO N#Cc1cscc1C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923168630 859096193 /nfs/dbraw/zinc/09/61/93/859096193.db2.gz PUBDKCYDLKWSLJ-IBGZPJMESA-N 1 0 395.528 3.563 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1(C#N)CCCCC1 ZINC000596869982 859146212 /nfs/dbraw/zinc/14/62/12/859146212.db2.gz XTXYDXGGUPBAKQ-UHFFFAOYSA-N 1 0 383.540 3.804 20 30 GHEDRO C=CCC1([NH2+]Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)CCCCC1 ZINC000625934798 859183968 /nfs/dbraw/zinc/18/39/68/859183968.db2.gz AHQXELRUKGKIOF-UHFFFAOYSA-N 1 0 383.418 3.910 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001141777242 859217222 /nfs/dbraw/zinc/21/72/22/859217222.db2.gz APCQBXFVPDDHGI-MBSDFSHPSA-N 1 0 393.531 3.943 20 30 GHEDRO C=CC[C@H](CC)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000466367264 859247021 /nfs/dbraw/zinc/24/70/21/859247021.db2.gz RSYBJOKTOKVREI-KRWDZBQOSA-N 1 0 382.346 3.877 20 30 GHEDRO COC(=O)c1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1Cl ZINC000597069079 859282670 /nfs/dbraw/zinc/28/26/70/859282670.db2.gz GJWZBVAWJKSRGX-UHFFFAOYSA-N 1 0 399.878 3.873 20 30 GHEDRO N#CC1(CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCOCC1 ZINC000597201776 859358083 /nfs/dbraw/zinc/35/80/83/859358083.db2.gz ORGRPPNXYBDSSL-UHFFFAOYSA-N 1 0 397.563 3.548 20 30 GHEDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000601567081 859359069 /nfs/dbraw/zinc/35/90/69/859359069.db2.gz PYEXXJMDNQUITL-MRXNPFEDSA-N 1 0 379.464 3.645 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)CC)c2)cc1Cl ZINC000466425245 859454993 /nfs/dbraw/zinc/45/49/93/859454993.db2.gz LPRUMDGJMBFHHE-UHFFFAOYSA-N 1 0 379.909 3.988 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170359864 881424269 /nfs/dbraw/zinc/42/42/69/881424269.db2.gz KJNZVRFVMWCXGP-KQVJYAISSA-N 1 0 399.535 3.616 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170360241 881424601 /nfs/dbraw/zinc/42/46/01/881424601.db2.gz UKLMWFBXVBXDRR-KLOMGHIOSA-N 1 0 387.499 3.938 20 30 GHEDRO C[C@@H](CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[NH+]1CCCCC1 ZINC000543386691 859511266 /nfs/dbraw/zinc/51/12/66/859511266.db2.gz ZVBKGLIXZBUJKS-KRWDZBQOSA-N 1 0 381.476 3.725 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC2CC2)c1 ZINC000597428913 859531975 /nfs/dbraw/zinc/53/19/75/859531975.db2.gz VMKVWJYIYKSUOU-FQEVSTJZSA-N 1 0 390.535 3.539 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC000106037096 859537184 /nfs/dbraw/zinc/53/71/84/859537184.db2.gz OFFGMUGGLBOPKY-UHFFFAOYSA-N 1 0 392.425 3.661 20 30 GHEDRO CCOCCC1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCC1 ZINC000593355384 859543273 /nfs/dbraw/zinc/54/32/73/859543273.db2.gz WPJNTZZYQASQQJ-UHFFFAOYSA-N 1 0 383.536 3.626 20 30 GHEDRO COc1ccc([C@@H](C)CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593353366 859547657 /nfs/dbraw/zinc/54/76/57/859547657.db2.gz KZHYPYGMFCVSPC-SFHVURJKSA-N 1 0 391.515 3.841 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3cc(Cl)cs3)CC2)c1 ZINC000593353389 859547963 /nfs/dbraw/zinc/54/79/63/859547963.db2.gz LKLFBUCGRQXMLY-UHFFFAOYSA-N 1 0 387.936 3.987 20 30 GHEDRO CC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)c(F)c2)(C(F)(F)F)CC1 ZINC001129307152 859549772 /nfs/dbraw/zinc/54/97/72/859549772.db2.gz PFXDQPAULPYNRG-UHFFFAOYSA-N 1 0 386.311 3.991 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(F)c(C#N)c(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000597474509 859561810 /nfs/dbraw/zinc/56/18/10/859561810.db2.gz CBJCGTMJPQNJTK-NHCUHLMSSA-N 1 0 397.425 3.553 20 30 GHEDRO Cc1cccc(CSCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000060575698 859572350 /nfs/dbraw/zinc/57/23/50/859572350.db2.gz PLCSBYJALNKRPT-UHFFFAOYSA-N 1 0 381.545 3.690 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3C[C@@H]3C3CCCCC3)CC2)c1 ZINC000593359938 859585868 /nfs/dbraw/zinc/58/58/68/859585868.db2.gz RXIQJVSOKSGZRW-FGZHOGPDSA-N 1 0 380.536 3.791 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000126988080 859591815 /nfs/dbraw/zinc/59/18/15/859591815.db2.gz RTHZCOGZHFBZIU-IBGZPJMESA-N 1 0 382.895 3.733 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)[NH+](C)C)c1 ZINC000611092829 859606690 /nfs/dbraw/zinc/60/66/90/859606690.db2.gz PFRZOCHXKQSUDL-QGZVFWFLSA-N 1 0 392.286 3.906 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000780562639 859621004 /nfs/dbraw/zinc/62/10/04/859621004.db2.gz GSANOWITQRKYGH-IBGZPJMESA-N 1 0 386.540 3.916 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CCc2ccccc2)cc1 ZINC000611181067 859634140 /nfs/dbraw/zinc/63/41/40/859634140.db2.gz WXHGCPZVBPYDGH-XZOQPEGZSA-N 1 0 378.516 3.980 20 30 GHEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000499775044 859659954 /nfs/dbraw/zinc/65/99/54/859659954.db2.gz SXDPUUJJAQMYCJ-HXUWFJFHSA-N 1 0 386.927 3.623 20 30 GHEDRO C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000611233237 859662365 /nfs/dbraw/zinc/66/23/65/859662365.db2.gz QIPOYZBWHUAFHI-SJORKVTESA-N 1 0 380.467 3.502 20 30 GHEDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000597617628 859685712 /nfs/dbraw/zinc/68/57/12/859685712.db2.gz TVBOXRCMRWSXHV-KRWDZBQOSA-N 1 0 391.943 3.545 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCc3ccccc3F)CC2)c1 ZINC000593398985 859731820 /nfs/dbraw/zinc/73/18/20/859731820.db2.gz KBWIAFYDPFLEKD-UHFFFAOYSA-N 1 0 394.494 3.594 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1cccc(C#N)c1 ZINC000611388203 859733129 /nfs/dbraw/zinc/73/31/29/859733129.db2.gz YRYRYTZOSUOUAT-INIZCTEOSA-N 1 0 388.471 3.507 20 30 GHEDRO COc1ccc([C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N(C)C)cc1OC ZINC000611393478 859734894 /nfs/dbraw/zinc/73/48/94/859734894.db2.gz LGQPYQOCJXBQKV-LEWJYISDSA-N 1 0 379.504 3.845 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000611390282 859740474 /nfs/dbraw/zinc/74/04/74/859740474.db2.gz NZCQFUOUDZUCKN-XZOQPEGZSA-N 1 0 379.479 3.738 20 30 GHEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391346 859741324 /nfs/dbraw/zinc/74/13/24/859741324.db2.gz GLSNBJAUYZLLMP-JOCHJYFZSA-N 1 0 397.544 3.754 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=S ZINC000765052462 859752877 /nfs/dbraw/zinc/75/28/77/859752877.db2.gz FFESKYVIZQJERE-MSOLQXFVSA-N 1 0 383.565 3.702 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)CC3(C#N)CCCCC3)CC2)cc1 ZINC000597726430 859771155 /nfs/dbraw/zinc/77/11/55/859771155.db2.gz BUDONTUQXLYHQG-UHFFFAOYSA-N 1 0 396.535 3.590 20 30 GHEDRO C=Cc1ccc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593407438 859776408 /nfs/dbraw/zinc/77/64/08/859776408.db2.gz MOXFWPVOUQCLNY-UHFFFAOYSA-N 1 0 388.515 3.708 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)C1CCCCC1 ZINC000543463846 859784257 /nfs/dbraw/zinc/78/42/57/859784257.db2.gz VFNWMOJEUSRMGZ-SJORKVTESA-N 1 0 379.508 3.877 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)C1CCCCC1 ZINC000543463843 859784354 /nfs/dbraw/zinc/78/43/54/859784354.db2.gz VFNWMOJEUSRMGZ-DLBZAZTESA-N 1 0 379.508 3.877 20 30 GHEDRO C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611518553 859797189 /nfs/dbraw/zinc/79/71/89/859797189.db2.gz RXPXRRVJAYBRQL-WIYYLYMNSA-N 1 0 386.499 3.805 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000597856418 859873715 /nfs/dbraw/zinc/87/37/15/859873715.db2.gz XCOBDKISHHWNQD-GOSISDBHSA-N 1 0 391.515 3.987 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000597861901 859878040 /nfs/dbraw/zinc/87/80/40/859878040.db2.gz XYBOZZPKQPTLGE-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000070690458 859910456 /nfs/dbraw/zinc/91/04/56/859910456.db2.gz CPPBWEFWJZYGSX-KAMXEHQASA-N 1 0 386.517 3.754 20 30 GHEDRO COC(=O)CCC[NH+]1CCC(N=Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000727059932 859911033 /nfs/dbraw/zinc/91/10/33/859911033.db2.gz WETBRLGEKKKPBB-UHFFFAOYSA-N 1 0 392.809 3.571 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000161406966 859931860 /nfs/dbraw/zinc/93/18/60/859931860.db2.gz JBUIIPSQXLIOEV-UHFFFAOYSA-N 1 0 398.551 3.722 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000597925556 859932687 /nfs/dbraw/zinc/93/26/87/859932687.db2.gz XJAULWAWTZJYLL-HXUWFJFHSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895864351 860002570 /nfs/dbraw/zinc/00/25/70/860002570.db2.gz OASLRKUTBYQMIC-UHFFFAOYSA-N 1 0 391.471 3.708 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2cnc3ccccc3n2)c1C ZINC000727255773 860006766 /nfs/dbraw/zinc/00/67/66/860006766.db2.gz FSRCKQBCQSOKHK-IBGZPJMESA-N 1 0 376.508 3.978 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000602450931 860026453 /nfs/dbraw/zinc/02/64/53/860026453.db2.gz CHUCQERFXPSVFY-HXUWFJFHSA-N 1 0 388.515 3.735 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000474425330 860054558 /nfs/dbraw/zinc/05/45/58/860054558.db2.gz HQZSHDPELMPDLL-HXUWFJFHSA-N 1 0 376.504 3.855 20 30 GHEDRO C[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511619 860074749 /nfs/dbraw/zinc/07/47/49/860074749.db2.gz NEOZNLXHATYJJD-GOSISDBHSA-N 1 0 388.515 3.852 20 30 GHEDRO COCC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000092567983 860078395 /nfs/dbraw/zinc/07/83/95/860078395.db2.gz JFHHMKQAPGHYKT-UHFFFAOYSA-N 1 0 376.460 3.606 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4cccc(Br)c4)CC3)n2c1 ZINC000123784513 860085820 /nfs/dbraw/zinc/08/58/20/860085820.db2.gz DKFBPVHRXUSFCS-UHFFFAOYSA-N 1 0 381.277 3.790 20 30 GHEDRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602542795 860089397 /nfs/dbraw/zinc/08/93/97/860089397.db2.gz XOELBHBZDWIAKK-HOTGVXAUSA-N 1 0 394.313 3.532 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508932686 860092171 /nfs/dbraw/zinc/09/21/71/860092171.db2.gz UTJCHQHVBYPDSO-INIZCTEOSA-N 1 0 389.931 3.788 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000602547970 860095003 /nfs/dbraw/zinc/09/50/03/860095003.db2.gz VISNLSVIZJFALA-HOTGVXAUSA-N 1 0 379.451 3.555 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000602535778 860103184 /nfs/dbraw/zinc/10/31/84/860103184.db2.gz SJCPBKWXQUCHTC-WBVHZDCISA-N 1 0 392.341 3.716 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727467548 860105327 /nfs/dbraw/zinc/10/53/27/860105327.db2.gz FDCZMCCYWGINRK-UHFFFAOYSA-N 1 0 385.508 3.557 20 30 GHEDRO Cc1cc(C(F)(F)F)nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593515936 860105874 /nfs/dbraw/zinc/10/58/74/860105874.db2.gz TVRXPOAVMMPDNO-UHFFFAOYSA-N 1 0 375.398 3.752 20 30 GHEDRO C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)Oc1ccc(Br)cc1 ZINC000602570251 860120961 /nfs/dbraw/zinc/12/09/61/860120961.db2.gz SDKWBPDRTOKLMU-LSDHHAIUSA-N 1 0 381.314 3.905 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000598194020 860124094 /nfs/dbraw/zinc/12/40/94/860124094.db2.gz DILKDNIMOPWOBZ-JOCHJYFZSA-N 1 0 391.490 3.504 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3ncnc4sc([N+](=O)[O-])cc43)CC2)c1 ZINC000593517211 860137353 /nfs/dbraw/zinc/13/73/53/860137353.db2.gz JEKXVONRMLLRTP-UHFFFAOYSA-N 1 0 394.460 3.548 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000598195981 860141254 /nfs/dbraw/zinc/14/12/54/860141254.db2.gz YGXRNKDLRBSHBV-PKTZIBPZSA-N 1 0 375.516 3.849 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1OCc1ccccc1 ZINC001170387040 881504005 /nfs/dbraw/zinc/50/40/05/881504005.db2.gz QTPXRFRSLBFTJO-YPAWHYETSA-N 1 0 389.499 3.637 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(C3(c4cccc(Br)c4)CC3)no1)C2 ZINC000904116605 860144637 /nfs/dbraw/zinc/14/46/37/860144637.db2.gz LGUXKIJUUAEUQA-HZEYSBKDSA-N 1 0 399.292 3.519 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000484634170 860185605 /nfs/dbraw/zinc/18/56/05/860185605.db2.gz CORYIXCECTVVTJ-RBBKRZOGSA-N 1 0 398.528 3.620 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508946936 860191793 /nfs/dbraw/zinc/19/17/93/860191793.db2.gz VIUJBRMIJVNFBY-FQEVSTJZSA-N 1 0 397.567 3.935 20 30 GHEDRO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000484630215 860203307 /nfs/dbraw/zinc/20/33/07/860203307.db2.gz FCNUKINKHLHUOZ-YADHBBJMSA-N 1 0 398.528 3.620 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)c(C#N)c1C ZINC000484644401 860215217 /nfs/dbraw/zinc/21/52/17/860215217.db2.gz DZTMSHQDXCRWJL-UXHICEINSA-N 1 0 381.476 3.995 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508964447 860304086 /nfs/dbraw/zinc/30/40/86/860304086.db2.gz UQWORUYHSRYVKO-IBGZPJMESA-N 1 0 382.556 3.562 20 30 GHEDRO CC1=Nc2ccccc2C12CC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000602859740 860316069 /nfs/dbraw/zinc/31/60/69/860316069.db2.gz FONWNBXUOUQUPO-HXUWFJFHSA-N 1 0 389.499 3.632 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000673601549 860374231 /nfs/dbraw/zinc/37/42/31/860374231.db2.gz CTUFDVBIGANQLW-UHFFFAOYSA-N 1 0 388.147 3.952 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)CSc1ccc(C#N)cc1)Cc1ccccc1 ZINC000484845737 860388386 /nfs/dbraw/zinc/38/83/86/860388386.db2.gz IOHGLRVOCOPTIO-HXUWFJFHSA-N 1 0 381.545 3.720 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1O ZINC000765697290 860421611 /nfs/dbraw/zinc/42/16/11/860421611.db2.gz DUBQIFPUNKKRIU-UHFFFAOYSA-N 1 0 386.536 3.886 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000598603888 860431214 /nfs/dbraw/zinc/43/12/14/860431214.db2.gz HKDARJQEUNEYKE-OAHLLOKOSA-N 1 0 381.314 3.593 20 30 GHEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000155194909 860434251 /nfs/dbraw/zinc/43/42/51/860434251.db2.gz XBSHXPFGIGFYKN-OALUTQOASA-N 1 0 399.498 3.869 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCCn3nccc31)CCCCC2 ZINC000603026815 860435975 /nfs/dbraw/zinc/43/59/75/860435975.db2.gz CYWKIPCQPIXGEP-MRXNPFEDSA-N 1 0 383.521 3.538 20 30 GHEDRO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CC[C@@H](C)C1 ZINC000484895916 860458731 /nfs/dbraw/zinc/45/87/31/860458731.db2.gz QQVBUOJFDKNCOI-AEFFLSMTSA-N 1 0 377.916 3.724 20 30 GHEDRO N#CCCc1ccc(NC(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000904540423 860501608 /nfs/dbraw/zinc/50/16/08/860501608.db2.gz ZJNLZLZLNQALOQ-UGKGYDQZSA-N 1 0 376.460 3.520 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000598719361 860527003 /nfs/dbraw/zinc/52/70/03/860527003.db2.gz GQXRCBHSXWFQMT-QFIPXVFZSA-N 1 0 388.515 3.989 20 30 GHEDRO C[NH+](C)CCCOc1cccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000125099517 860580007 /nfs/dbraw/zinc/58/00/07/860580007.db2.gz KJQXSTXXTYZDCC-UHFFFAOYSA-N 1 0 381.476 3.685 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@H]([NH+]3CCCC3)C2)c1=S ZINC000170729044 860642327 /nfs/dbraw/zinc/64/23/27/860642327.db2.gz ZGHQYDROTBTQFB-INIZCTEOSA-N 1 0 387.528 3.534 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](C)CCc2ccc(I)cc2)CC1 ZINC000474709613 860662659 /nfs/dbraw/zinc/66/26/59/860662659.db2.gz OJQFFXCDRJAYNB-HNNXBMFYSA-N 1 0 398.332 3.852 20 30 GHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000156143148 860694210 /nfs/dbraw/zinc/69/42/10/860694210.db2.gz OMFVQXYWXMHBLR-UHFFFAOYSA-N 1 0 395.478 3.543 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000603444267 860705417 /nfs/dbraw/zinc/70/54/17/860705417.db2.gz UGMRFURWXSAFJX-WIYYLYMNSA-N 1 0 379.504 3.741 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)ccn1 ZINC000856598439 881571908 /nfs/dbraw/zinc/57/19/08/881571908.db2.gz ATEYDRPIDVYRDV-JOCHJYFZSA-N 1 0 382.483 3.586 20 30 GHEDRO COC(=O)C1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000730107805 860865401 /nfs/dbraw/zinc/86/54/01/860865401.db2.gz UKLPPQITYIHSKZ-UHFFFAOYSA-N 1 0 378.472 3.959 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CCOCC1 ZINC000599263380 860994251 /nfs/dbraw/zinc/99/42/51/860994251.db2.gz GIMDMROXDOYBKB-QZTJIDSGSA-N 1 0 393.325 3.657 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CCOCC1 ZINC000599263378 860994776 /nfs/dbraw/zinc/99/47/76/860994776.db2.gz GIMDMROXDOYBKB-MSOLQXFVSA-N 1 0 393.325 3.657 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000593718076 860996303 /nfs/dbraw/zinc/99/63/03/860996303.db2.gz IODDZJNYJGJAIQ-UHFFFAOYSA-N 1 0 380.467 3.538 20 30 GHEDRO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000593721449 861008932 /nfs/dbraw/zinc/00/89/32/861008932.db2.gz MRCOOVYLFDWXAI-MRXNPFEDSA-N 1 0 398.576 3.827 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000603691633 861023999 /nfs/dbraw/zinc/02/39/99/861023999.db2.gz KXTWLHZOLMDUML-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)C2)c(F)c1 ZINC000237950016 881605803 /nfs/dbraw/zinc/60/58/03/881605803.db2.gz CKLSJTWBFJBHIM-LJQANCHMSA-N 1 0 393.441 3.781 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000599313346 861053455 /nfs/dbraw/zinc/05/34/55/861053455.db2.gz IUMBNYSTLZXHLK-PMACEKPBSA-N 1 0 375.472 3.659 20 30 GHEDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000329149263 861068059 /nfs/dbraw/zinc/06/80/59/861068059.db2.gz QLBPCFOABMUESN-FQEVSTJZSA-N 1 0 398.482 3.855 20 30 GHEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cc2)cs1 ZINC000599348620 861086695 /nfs/dbraw/zinc/08/66/95/861086695.db2.gz ASLCAISPJWHGLO-BEFAXECRSA-N 1 0 385.533 3.841 20 30 GHEDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1OC(F)F ZINC000599349416 861087374 /nfs/dbraw/zinc/08/73/74/861087374.db2.gz HVNAAIXCIZCDRQ-DOTOQJQBSA-N 1 0 376.403 3.640 20 30 GHEDRO CCN1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329169264 861093410 /nfs/dbraw/zinc/09/34/10/861093410.db2.gz JNLFUUWEGCWMMY-JYJNAYRXSA-N 1 0 382.867 3.528 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000185656644 861125390 /nfs/dbraw/zinc/12/53/90/861125390.db2.gz UZQPQLIGDIGPDZ-LBPRGKRZSA-N 1 0 393.413 3.613 20 30 GHEDRO Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC000329199450 861127797 /nfs/dbraw/zinc/12/77/97/861127797.db2.gz WXKAGHOBQBQNNW-PMACEKPBSA-N 1 0 383.536 3.821 20 30 GHEDRO Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC000329199451 861127937 /nfs/dbraw/zinc/12/79/37/861127937.db2.gz WXKAGHOBQBQNNW-VQTJNVASSA-N 1 0 383.536 3.821 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(F)c(Br)c1 ZINC000599362836 861129376 /nfs/dbraw/zinc/12/93/76/861129376.db2.gz SHGMOHVNVCNXNZ-IUODEOHRSA-N 1 0 393.256 3.550 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000329224252 861167194 /nfs/dbraw/zinc/16/71/94/861167194.db2.gz ZJRWUXHRWRYLKN-HOTGVXAUSA-N 1 0 387.553 3.739 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)CCOCC1 ZINC000599426673 861169513 /nfs/dbraw/zinc/16/95/13/861169513.db2.gz MBQFEDCIEKASNX-FUHWJXTLSA-N 1 0 380.941 3.578 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(C)c(S(C)(=O)=O)c2)ccc1OC ZINC000444003212 863128338 /nfs/dbraw/zinc/12/83/38/863128338.db2.gz MQAZBMQKNKVHHA-UHFFFAOYSA-N 1 0 389.517 3.652 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000733802474 863171074 /nfs/dbraw/zinc/17/10/74/863171074.db2.gz MHYJMUJVXBNRGL-GHTZIAJQSA-N 1 0 394.519 3.687 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)cc(OC)c1O ZINC000482490409 863212211 /nfs/dbraw/zinc/21/22/11/863212211.db2.gz NTHMTFSFXSEQDH-UNWVZKJWSA-N 1 0 383.488 3.844 20 30 GHEDRO C[C@]1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)OCCc2sccc21 ZINC000262370958 863311183 /nfs/dbraw/zinc/31/11/83/863311183.db2.gz LMYADZYPMKCXKX-QGZVFWFLSA-N 1 0 383.439 3.659 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262374490 863318460 /nfs/dbraw/zinc/31/84/60/863318460.db2.gz JFJOSVLDYVSRGS-ITBHCLRTSA-N 1 0 399.579 3.831 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000281914318 863482339 /nfs/dbraw/zinc/48/23/39/863482339.db2.gz GSGDSSCFYWCGBK-ROUUACIJSA-N 1 0 383.319 3.984 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1OCC ZINC000469864023 863656503 /nfs/dbraw/zinc/65/65/03/863656503.db2.gz QYYINUYZEBJTOZ-UKRRQHHQSA-N 1 0 383.330 3.582 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000508467919 863661937 /nfs/dbraw/zinc/66/19/37/863661937.db2.gz ZTLNIGZRFDHASB-UHFFFAOYSA-N 1 0 380.540 3.535 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000120597667 881683711 /nfs/dbraw/zinc/68/37/11/881683711.db2.gz PPYYIUHNFPIKJF-WIYYLYMNSA-N 1 0 398.551 3.695 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019468 863759003 /nfs/dbraw/zinc/75/90/03/863759003.db2.gz MDBGHQXNSUGSDL-UHFFFAOYSA-N 1 0 385.471 3.710 20 30 GHEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000733996059 863909899 /nfs/dbraw/zinc/90/98/99/863909899.db2.gz KIIYRXVTAXASNZ-UHFFFAOYSA-N 1 0 393.535 3.877 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCCO1 ZINC000594043479 863915564 /nfs/dbraw/zinc/91/55/64/863915564.db2.gz NVUBGOKWYRPNPO-IAGOWNOFSA-N 1 0 375.538 3.764 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000480051610 863943480 /nfs/dbraw/zinc/94/34/80/863943480.db2.gz RCICTSUVQKKPMT-NRFANRHFSA-N 1 0 375.516 3.644 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000554257150 863980505 /nfs/dbraw/zinc/98/05/05/863980505.db2.gz BHPKHQNUSDHCTP-LJQANCHMSA-N 1 0 378.476 3.667 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cn2)c1 ZINC000594065215 864004825 /nfs/dbraw/zinc/00/48/25/864004825.db2.gz RRZKIZCMGIRVKK-PMACEKPBSA-N 1 0 391.475 3.884 20 30 GHEDRO C[N@H+](CCOc1cccc(CNc2c(C#N)cccc2C#N)c1)C1CCOCC1 ZINC000195263433 881721754 /nfs/dbraw/zinc/72/17/54/881721754.db2.gz PUABMQIJQZRWTN-UHFFFAOYSA-N 1 0 390.487 3.532 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000554389434 864229126 /nfs/dbraw/zinc/22/91/26/864229126.db2.gz PJIKCDUBALVMKB-XJKSGUPXSA-N 1 0 396.413 3.590 20 30 GHEDRO C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272206329 881778383 /nfs/dbraw/zinc/77/83/83/881778383.db2.gz BLFUIQIWNANMDP-XMSQKQJNSA-N 1 0 376.504 3.610 20 30 GHEDRO C=CCN(CCC#N)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455945489 864651169 /nfs/dbraw/zinc/65/11/69/864651169.db2.gz ORDHIEGYJOTWHB-UHFFFAOYSA-N 1 0 376.888 3.747 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000898804410 864671983 /nfs/dbraw/zinc/67/19/83/864671983.db2.gz BEICZRDBKQHALL-UHFFFAOYSA-N 1 0 379.426 3.710 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000735220072 864689527 /nfs/dbraw/zinc/68/95/27/864689527.db2.gz DNEPSIIMIHKEEE-QFIPXVFZSA-N 1 0 378.472 3.925 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000735305586 864718129 /nfs/dbraw/zinc/71/81/29/864718129.db2.gz AJZDSJQUCMPCPO-MRXNPFEDSA-N 1 0 399.926 3.940 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000186323630 864791033 /nfs/dbraw/zinc/79/10/33/864791033.db2.gz VOQQEIAPNAPOLB-NTKDMRAZSA-N 1 0 376.548 3.804 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000184650708 864799712 /nfs/dbraw/zinc/79/97/12/864799712.db2.gz KZCCWTQGZPIOLE-KRWDZBQOSA-N 1 0 398.473 3.999 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1ccc(Cl)cc1F ZINC000554745957 864846553 /nfs/dbraw/zinc/84/65/53/864846553.db2.gz QYJMATLINHQOJP-UHFFFAOYSA-N 1 0 389.858 3.828 20 30 GHEDRO Cc1cccc([C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCOCC2)c1 ZINC000030915708 864885701 /nfs/dbraw/zinc/88/57/01/864885701.db2.gz OJUYLRIXUNKIJJ-XMMPIXPASA-N 1 0 392.547 3.508 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H]1C ZINC000475372460 864886847 /nfs/dbraw/zinc/88/68/47/864886847.db2.gz OCHUKPXHYYVLJZ-VGOFRKELSA-N 1 0 378.472 3.768 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000480573051 864893954 /nfs/dbraw/zinc/89/39/54/864893954.db2.gz VPSAERUJKXVTSJ-UHFFFAOYSA-N 1 0 383.540 3.814 20 30 GHEDRO CC[C@](C)(C#N)c1nc(-c2cc3c([nH]c2=O)CC[N@H+](Cc2ccccc2)C3)no1 ZINC000897258141 864989758 /nfs/dbraw/zinc/98/97/58/864989758.db2.gz VKPWCXJWNNFVSC-JOCHJYFZSA-N 1 0 389.459 3.587 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000897267764 865038030 /nfs/dbraw/zinc/03/80/30/865038030.db2.gz PCJZVTKGHDPVEJ-DYESRHJHSA-N 1 0 378.472 3.828 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000063705804 865231260 /nfs/dbraw/zinc/23/12/60/865231260.db2.gz DCVVBFZTHSAIKR-SFHVURJKSA-N 1 0 377.488 3.597 20 30 GHEDRO N#Cc1ccc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC000120989471 881850324 /nfs/dbraw/zinc/85/03/24/881850324.db2.gz FDOHHRSMLGLDPS-HXUWFJFHSA-N 1 0 395.304 3.703 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000555007535 865326971 /nfs/dbraw/zinc/32/69/71/865326971.db2.gz NCZHQATXPQWKBO-HXUWFJFHSA-N 1 0 379.464 3.549 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000172026406 865452253 /nfs/dbraw/zinc/45/22/53/865452253.db2.gz AUIHTMFSOZLMML-OAQYLSRUSA-N 1 0 396.922 3.865 20 30 GHEDRO NC(=[NH+]OCc1nc(-c2ccccc2)no1)c1ccc(N2CCCCC2)cc1 ZINC000174128932 865477679 /nfs/dbraw/zinc/47/76/79/865477679.db2.gz KJIFGHXHBPFANL-UHFFFAOYSA-N 1 0 377.448 3.564 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1cc(C#N)ccc1OC(C)C)CCC(F)(F)F ZINC000494549399 881897990 /nfs/dbraw/zinc/89/79/90/881897990.db2.gz QYDFVNSWEYZJJP-UHFFFAOYSA-N 1 0 386.418 3.741 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000555240098 865740480 /nfs/dbraw/zinc/74/04/80/865740480.db2.gz GPKOAXHBQWMAQQ-UHFFFAOYSA-N 1 0 382.556 3.781 20 30 GHEDRO C=CCOc1ccc(C[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C(C)(C)C)cc1 ZINC000447855845 865761312 /nfs/dbraw/zinc/76/13/12/865761312.db2.gz VMEFHYGJRDWUNN-NRFANRHFSA-N 1 0 386.536 3.632 20 30 GHEDRO N#Cc1cnc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000608886049 865816515 /nfs/dbraw/zinc/81/65/15/865816515.db2.gz OCCXDKFIDDRTSS-UHFFFAOYSA-N 1 0 383.927 3.617 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000739990144 865820698 /nfs/dbraw/zinc/82/06/98/865820698.db2.gz KWABMGPFNGSBEX-OAQYLSRUSA-N 1 0 397.906 3.680 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(C#N)cc1 ZINC000739990886 865821932 /nfs/dbraw/zinc/82/19/32/865821932.db2.gz TZJPLMVYSFSNSN-JPYJTQIMSA-N 1 0 391.515 3.937 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)c2)s1 ZINC000740058088 865838494 /nfs/dbraw/zinc/83/84/94/865838494.db2.gz QADUCABIMPUPPS-GOSISDBHSA-N 1 0 380.517 3.570 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000174570580 865892511 /nfs/dbraw/zinc/89/25/11/865892511.db2.gz IBGUUNLPLBFTBA-NRFANRHFSA-N 1 0 390.531 3.914 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000481185207 865949512 /nfs/dbraw/zinc/94/95/12/865949512.db2.gz WHSAOAIKQAWSGM-UZLBHIALSA-N 1 0 396.922 3.650 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000740737803 865976126 /nfs/dbraw/zinc/97/61/26/865976126.db2.gz XQAXROSVCHHELE-UHFFFAOYSA-N 1 0 387.936 3.610 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)CC1 ZINC000455991357 865994931 /nfs/dbraw/zinc/99/49/31/865994931.db2.gz OPUVDRWYLKOVHF-UHFFFAOYSA-N 1 0 396.457 3.727 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007438 866020728 /nfs/dbraw/zinc/02/07/28/866020728.db2.gz RHMCYNSCESPAGH-UHFFFAOYSA-N 1 0 389.499 3.552 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000183145861 866254771 /nfs/dbraw/zinc/25/47/71/866254771.db2.gz GZIQUVASMKOKGX-AWEZNQCLSA-N 1 0 393.878 3.995 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)C(C)C ZINC000152454575 866269928 /nfs/dbraw/zinc/26/99/28/866269928.db2.gz WAKBCECVAUDDPY-FQEVSTJZSA-N 1 0 386.540 3.517 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)s1 ZINC000121237506 881991661 /nfs/dbraw/zinc/99/16/61/881991661.db2.gz APCANVVJNYAUFS-UHFFFAOYSA-N 1 0 385.537 3.524 20 30 GHEDRO C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183462833 866734304 /nfs/dbraw/zinc/73/43/04/866734304.db2.gz LSAAUHYIYRFSND-DZGCQCFKSA-N 1 0 392.450 3.934 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CCC(C)(C(=O)OC)CC1)CC2 ZINC001168772980 866926903 /nfs/dbraw/zinc/92/69/03/866926903.db2.gz RQIGBNCMTQMGPO-UHFFFAOYSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508503011 866992843 /nfs/dbraw/zinc/99/28/43/866992843.db2.gz DQNXKIADMHEKRB-UHFFFAOYSA-N 1 0 383.565 3.597 20 30 GHEDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000534557775 867051083 /nfs/dbraw/zinc/05/10/83/867051083.db2.gz GOBOPGPLNLUTNG-UHFFFAOYSA-N 1 0 384.911 3.650 20 30 GHEDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3F)C1)CC2 ZINC000479058897 867075603 /nfs/dbraw/zinc/07/56/03/867075603.db2.gz KPINKSBAVKGFMX-YLJYHZDGSA-N 1 0 395.478 3.960 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1Cl ZINC000534581464 867088535 /nfs/dbraw/zinc/08/85/35/867088535.db2.gz LKEJBBZCZBKQNA-KRWDZBQOSA-N 1 0 393.878 3.664 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1C#N ZINC000523392566 867181670 /nfs/dbraw/zinc/18/16/70/867181670.db2.gz TXEDHGXQZSJKHY-UHFFFAOYSA-N 1 0 384.549 3.643 20 30 GHEDRO CCc1nnc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c1CC ZINC000553335980 867202294 /nfs/dbraw/zinc/20/22/94/867202294.db2.gz CNWVEDBZTJJMOV-HSZRJFAPSA-N 1 0 375.520 3.575 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000742367167 867238599 /nfs/dbraw/zinc/23/85/99/867238599.db2.gz ODRZUHZPKOZDHA-UHFFFAOYSA-N 1 0 377.326 3.531 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Cl ZINC000183693987 867250085 /nfs/dbraw/zinc/25/00/85/867250085.db2.gz YDSGBHJHHIXGAL-LJQANCHMSA-N 1 0 376.909 3.972 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@]1(C)CCCC[C@@H]1C(=O)OC ZINC000534753421 867373628 /nfs/dbraw/zinc/37/36/28/867373628.db2.gz BBNPRXYKSYMRKE-QRWLVFNGSA-N 1 0 376.522 3.615 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(O)c1 ZINC000920387233 882078087 /nfs/dbraw/zinc/07/80/87/882078087.db2.gz NDPKZUXFKRXWCX-OLCUMFGGSA-N 1 0 395.503 3.975 20 30 GHEDRO Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1CCC(C)C ZINC000479289600 867488990 /nfs/dbraw/zinc/48/89/90/867488990.db2.gz ZKZZJDKMUJDXHM-UHFFFAOYSA-N 1 0 393.535 3.526 20 30 GHEDRO C[C@H](SCc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479270599 867492652 /nfs/dbraw/zinc/49/26/52/867492652.db2.gz DXATYCMDVLGWAU-IBGZPJMESA-N 1 0 393.556 3.983 20 30 GHEDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000054299069 867579044 /nfs/dbraw/zinc/57/90/44/867579044.db2.gz LBMPILMDMDURBW-UHFFFAOYSA-N 1 0 375.472 3.790 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)ccc1C#N ZINC000440625810 867632990 /nfs/dbraw/zinc/63/29/90/867632990.db2.gz MKZFXQLYHGBYFH-SFHVURJKSA-N 1 0 377.410 3.978 20 30 GHEDRO CC[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000183760210 867697849 /nfs/dbraw/zinc/69/78/49/867697849.db2.gz PKMNNEACRADBHY-OAQYLSRUSA-N 1 0 387.487 3.705 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000743078317 867801404 /nfs/dbraw/zinc/80/14/04/867801404.db2.gz JQHNYZQTHGEQHM-QGZVFWFLSA-N 1 0 377.492 3.583 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(OCc3cccc4ccccc43)C2)CC1 ZINC000479503572 867901502 /nfs/dbraw/zinc/90/15/02/867901502.db2.gz NWOXGICQCNNHSO-UHFFFAOYSA-N 1 0 393.531 3.791 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1OC ZINC000154437771 867912244 /nfs/dbraw/zinc/91/22/44/867912244.db2.gz BJXJERNEPSJYQJ-MRXNPFEDSA-N 1 0 384.314 3.758 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCOC2)O1 ZINC000475623626 867942435 /nfs/dbraw/zinc/94/24/35/867942435.db2.gz RIXKVCOXLODRRE-LADGPHEKSA-N 1 0 392.499 3.907 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000743198999 867948289 /nfs/dbraw/zinc/94/82/89/867948289.db2.gz PPXZYHQKTZEFJS-LJQANCHMSA-N 1 0 381.451 3.576 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000743199095 867948644 /nfs/dbraw/zinc/94/86/44/867948644.db2.gz SWPQFZKIEBVUQB-UHFFFAOYSA-N 1 0 395.478 3.886 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)CC1 ZINC000553710869 867980615 /nfs/dbraw/zinc/98/06/15/867980615.db2.gz CGDVBJMCWHPQHM-LJQANCHMSA-N 1 0 399.579 3.607 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000041815888 868156997 /nfs/dbraw/zinc/15/69/97/868156997.db2.gz RPNMPVVQNQAMRC-QGZVFWFLSA-N 1 0 392.528 3.557 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)CC1 ZINC000743490732 868236070 /nfs/dbraw/zinc/23/60/70/868236070.db2.gz VVQAYRMYDMGRLZ-HXUWFJFHSA-N 1 0 390.527 3.649 20 30 GHEDRO CCCN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000479691081 868341776 /nfs/dbraw/zinc/34/17/76/868341776.db2.gz MSCOFLFZDQOJDJ-JOCHJYFZSA-N 1 0 396.579 3.706 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)CCc2ccc(Br)cc2)c1C#N ZINC000535204361 868345406 /nfs/dbraw/zinc/34/54/06/868345406.db2.gz CZJTWQJCTYZEKO-UHFFFAOYSA-N 1 0 387.277 3.782 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCOC2)O1 ZINC000475627143 868392795 /nfs/dbraw/zinc/39/27/95/868392795.db2.gz ONHFNHILZMONCD-FDDCHVKYSA-N 1 0 378.472 3.517 20 30 GHEDRO C=CCc1cc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cc(OC)c1O ZINC000155287011 868475959 /nfs/dbraw/zinc/47/59/59/868475959.db2.gz FZHUQKHOXNIRAB-OAQYLSRUSA-N 1 0 377.488 3.512 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669812789 868716488 /nfs/dbraw/zinc/71/64/88/868716488.db2.gz PWDBRWFLDDQGQS-HXUWFJFHSA-N 1 0 388.519 3.545 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cccc(Cl)c1 ZINC000128349598 868805528 /nfs/dbraw/zinc/80/55/28/868805528.db2.gz VFRKQWZPFMSCFM-MOPGFXCFSA-N 1 0 385.899 3.557 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C2)C1 ZINC000554142874 868817083 /nfs/dbraw/zinc/81/70/83/868817083.db2.gz XKEQQCSKTJYTOD-QFIPXVFZSA-N 1 0 377.513 3.877 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C#N ZINC000535471070 868823686 /nfs/dbraw/zinc/82/36/86/868823686.db2.gz YVXXIUOREZCEGF-UYAOXDASSA-N 1 0 392.528 3.728 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(C#N)ccc3Cl)CC2)cc1 ZINC000508540077 868886432 /nfs/dbraw/zinc/88/64/32/868886432.db2.gz AHOJJWCFOOHWIP-UHFFFAOYSA-N 1 0 397.906 3.862 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508847668 868935516 /nfs/dbraw/zinc/93/55/16/868935516.db2.gz KZPBPFOUWAUIGX-AEFFLSMTSA-N 1 0 387.503 3.520 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508848702 868959527 /nfs/dbraw/zinc/95/95/27/868959527.db2.gz OHXJEXVBDYNKIR-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508848709 868959729 /nfs/dbraw/zinc/95/97/29/868959729.db2.gz ZREPHAREKMDZQY-UHFFFAOYSA-N 1 0 392.551 3.951 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C#N)ccc1Cl ZINC000508541839 868990216 /nfs/dbraw/zinc/99/02/16/868990216.db2.gz CJHSUCIDUBPUKM-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793503456 882251119 /nfs/dbraw/zinc/25/11/19/882251119.db2.gz INPOKYMXPCMVBA-LJQANCHMSA-N 1 0 396.579 3.533 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000524435422 869053995 /nfs/dbraw/zinc/05/39/95/869053995.db2.gz SYYBJKMHCJVUEB-INIZCTEOSA-N 1 0 386.402 3.556 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1OCC(=O)N1CCCC1 ZINC000539458720 869175264 /nfs/dbraw/zinc/17/52/64/869175264.db2.gz YNTDBUGAKFMNRX-LJQANCHMSA-N 1 0 383.517 3.862 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ccc(C#N)cc3)CC2)cc1 ZINC000524513176 869190571 /nfs/dbraw/zinc/19/05/71/869190571.db2.gz RBJXWXGMXNBXTP-UHFFFAOYSA-N 1 0 379.529 3.693 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CCCC1 ZINC000524524916 869199497 /nfs/dbraw/zinc/19/94/97/869199497.db2.gz XSJYVYWKZZLVFU-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 ZINC000181914399 869229658 /nfs/dbraw/zinc/22/96/58/869229658.db2.gz XWTPJQDZIVQEEF-OAHLLOKOSA-N 1 0 386.377 3.868 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000446000734 869272265 /nfs/dbraw/zinc/27/22/65/869272265.db2.gz GNAYACIJQMREGQ-QZTJIDSGSA-N 1 0 392.425 3.587 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428788810 869350326 /nfs/dbraw/zinc/35/03/26/869350326.db2.gz SGNWYYGGBKTDEK-LJQANCHMSA-N 1 0 379.460 3.562 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000793588967 882295048 /nfs/dbraw/zinc/29/50/48/882295048.db2.gz FJXWSCCHXJHUPO-QGZVFWFLSA-N 1 0 381.476 3.618 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000539609841 869441432 /nfs/dbraw/zinc/44/14/32/869441432.db2.gz NPZPHXGXDGOQOG-LBPRGKRZSA-N 1 0 390.256 3.540 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Br)cc1 ZINC000172725543 882303126 /nfs/dbraw/zinc/30/31/26/882303126.db2.gz BLBZYZGDSJCDBB-AWEZNQCLSA-N 1 0 378.314 3.785 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000462472999 869516167 /nfs/dbraw/zinc/51/61/67/869516167.db2.gz GSTJKKFVRCFODZ-JTSKRJEESA-N 1 0 379.504 3.868 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000524898471 869718826 /nfs/dbraw/zinc/71/88/26/869718826.db2.gz QODSIIINQMYCAE-KRWDZBQOSA-N 1 0 378.476 3.695 20 30 GHEDRO COc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000446351860 869723465 /nfs/dbraw/zinc/72/34/65/869723465.db2.gz OAZZRROGWSQFBI-UHFFFAOYSA-N 1 0 392.503 3.924 20 30 GHEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000539767777 869749592 /nfs/dbraw/zinc/74/95/92/869749592.db2.gz LZJSURZYDZWGSX-HXUWFJFHSA-N 1 0 387.487 3.992 20 30 GHEDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539822313 869853717 /nfs/dbraw/zinc/85/37/17/869853717.db2.gz XQVVERVTGKBTIV-HXUWFJFHSA-N 1 0 396.512 3.618 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000121540214 882365673 /nfs/dbraw/zinc/36/56/73/882365673.db2.gz QPORQRFQBLOEHR-WMLDXEAASA-N 1 0 377.431 3.792 20 30 GHEDRO COC1CC[NH+](C2(CNc3c(C#N)cnc4c(C)cc(F)cc43)CCCC2)CC1 ZINC000462837946 870188407 /nfs/dbraw/zinc/18/84/07/870188407.db2.gz DCFCIJBNSFHFDO-UHFFFAOYSA-N 1 0 396.510 3.811 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(OCC#N)c1 ZINC000766358919 870637680 /nfs/dbraw/zinc/63/76/80/870637680.db2.gz HOXOKHAHXRIPQS-ROUUACIJSA-N 1 0 378.476 3.716 20 30 GHEDRO Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1S(C)(=O)=O ZINC000446897403 870668223 /nfs/dbraw/zinc/66/82/23/870668223.db2.gz ZDOFWNMRAKFMSM-UHFFFAOYSA-N 1 0 382.529 3.892 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](C)[C@H](C)C2)c1=S ZINC000766374498 870681849 /nfs/dbraw/zinc/68/18/49/870681849.db2.gz PRLKEZHHAZFTOB-ZWKOTPCHSA-N 1 0 377.602 3.564 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000540178390 870693826 /nfs/dbraw/zinc/69/38/26/870693826.db2.gz BANBLXNCPCNALU-UHFFFAOYSA-N 1 0 390.531 3.897 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC001192823349 870697802 /nfs/dbraw/zinc/69/78/02/870697802.db2.gz JDPCRJLUJZYHME-NRFANRHFSA-N 1 0 375.472 3.837 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(Cl)c2ccccc12 ZINC000766406771 870706308 /nfs/dbraw/zinc/70/63/08/870706308.db2.gz FDWHKLRPJGGFAF-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cc1OCCCO ZINC000463038632 870722515 /nfs/dbraw/zinc/72/25/15/870722515.db2.gz YNCFIHQMRYDYDW-GFCCVEGCSA-N 1 0 395.322 3.994 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000249415449 870825700 /nfs/dbraw/zinc/82/57/00/870825700.db2.gz ZEJAANBFHPZFAK-HFTRVMKXSA-N 1 0 381.442 3.939 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000461736431 870828961 /nfs/dbraw/zinc/82/89/61/870828961.db2.gz LDVRQFBGJGSBOY-UTKZUKDTSA-N 1 0 377.488 3.624 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249794440 870911570 /nfs/dbraw/zinc/91/15/70/870911570.db2.gz WLUVKJKTUCNFSR-MOPGFXCFSA-N 1 0 398.551 3.743 20 30 GHEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CN1C(=O)OC(C)(C)C ZINC001168871071 870923676 /nfs/dbraw/zinc/92/36/76/870923676.db2.gz GRDTZHRXOKWYEO-POAQFYNOSA-N 1 0 385.508 3.799 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000069472967 870960574 /nfs/dbraw/zinc/96/05/74/870960574.db2.gz STTBXNAFHZITMF-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000181428043 871003217 /nfs/dbraw/zinc/00/32/17/871003217.db2.gz ZGTVVVXSOVKSOI-AEFFLSMTSA-N 1 0 386.536 3.815 20 30 GHEDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001193294135 871009229 /nfs/dbraw/zinc/00/92/29/871009229.db2.gz YIFQQFGYIMIMPQ-OAHLLOKOSA-N 1 0 375.432 3.989 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000540327872 871029051 /nfs/dbraw/zinc/02/90/51/871029051.db2.gz GFQGIUMVZPSJFX-FUHWJXTLSA-N 1 0 383.517 3.590 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000540329416 871037257 /nfs/dbraw/zinc/03/72/57/871037257.db2.gz OUSUFGKGABPKQY-QGZVFWFLSA-N 1 0 382.508 3.611 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000540375354 871108828 /nfs/dbraw/zinc/10/88/28/871108828.db2.gz FSCKTUMLPJULTN-GOSISDBHSA-N 1 0 378.314 3.642 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540390204 871148926 /nfs/dbraw/zinc/14/89/26/871148926.db2.gz XQXWGHFNSVJRFQ-ROUUACIJSA-N 1 0 392.503 3.574 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001193518206 871156366 /nfs/dbraw/zinc/15/63/66/871156366.db2.gz XQNDTZVHCJXGIC-OAQYLSRUSA-N 1 0 397.544 3.590 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccccc1 ZINC000540425486 871258293 /nfs/dbraw/zinc/25/82/93/871258293.db2.gz SCDWZHQJBZLKGO-OAQYLSRUSA-N 1 0 379.504 3.775 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2)c1 ZINC000463248478 871262190 /nfs/dbraw/zinc/26/21/90/871262190.db2.gz ULZCVHLULMVNES-NYSBEXSLSA-N 1 0 386.492 3.991 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(OC)c(Cl)c(C)c1C#N ZINC001169176932 871299693 /nfs/dbraw/zinc/29/96/93/871299693.db2.gz WZMGQGLWUSLSCL-UHFFFAOYSA-N 1 0 384.867 3.686 20 30 GHEDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000618189724 871395037 /nfs/dbraw/zinc/39/50/37/871395037.db2.gz SWYUACSJZHZYID-UHFFFAOYSA-N 1 0 386.311 3.610 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2cccc(C)c2)cc1 ZINC000041465866 871427176 /nfs/dbraw/zinc/42/71/76/871427176.db2.gz CJUJQXQMTQSREH-LJQANCHMSA-O 1 0 383.537 3.552 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000525833583 871518046 /nfs/dbraw/zinc/51/80/46/871518046.db2.gz VEFUFKHYMUAHFL-UHFFFAOYSA-N 1 0 390.531 3.897 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1OC ZINC000618356025 871520803 /nfs/dbraw/zinc/52/08/03/871520803.db2.gz HEUOPMWQEMOQCH-OAQYLSRUSA-N 1 0 394.515 3.649 20 30 GHEDRO C=CC[C@H](CO)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539224682 871540322 /nfs/dbraw/zinc/54/03/22/871540322.db2.gz HNVSFJBKKGKIPG-KRWDZBQOSA-N 1 0 392.459 3.722 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)ccc1OC1CCCC1 ZINC000539254446 871564809 /nfs/dbraw/zinc/56/48/09/871564809.db2.gz QNJSWTAAZQEGCD-OPAMFIHVSA-N 1 0 387.524 3.722 20 30 GHEDRO C[C@@H](O)C[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441255527 871568319 /nfs/dbraw/zinc/56/83/19/871568319.db2.gz DWGHJOPLBXBLEE-ZIAGYGMSSA-N 1 0 391.924 3.526 20 30 GHEDRO CCCc1c(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000525889975 871636880 /nfs/dbraw/zinc/63/68/80/871636880.db2.gz GHLPBBBZBLZGPT-SFHVURJKSA-N 1 0 394.523 3.548 20 30 GHEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000463406632 871638222 /nfs/dbraw/zinc/63/82/22/871638222.db2.gz SXICQZVVDLEGSV-AFAVFJNCSA-N 1 0 375.538 3.617 20 30 GHEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001169568807 871644694 /nfs/dbraw/zinc/64/46/94/871644694.db2.gz RLKIYHLFCSRTQU-AVRDEDQJSA-N 1 0 378.520 3.631 20 30 GHEDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000540595231 871655937 /nfs/dbraw/zinc/65/59/37/871655937.db2.gz QPWCNHIBIMZTTK-AWEZNQCLSA-N 1 0 386.293 3.791 20 30 GHEDRO N#Cc1ccsc1NC(=O)CN[C@@H](COc1ccccc1)c1ccccc1 ZINC000539318167 871677915 /nfs/dbraw/zinc/67/79/15/871677915.db2.gz SDPNBTUFFMIRHV-IBGZPJMESA-N 1 0 377.469 3.968 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000540603905 871681947 /nfs/dbraw/zinc/68/19/47/871681947.db2.gz BAOHNKYDYLXIBR-QFIPXVFZSA-N 1 0 387.487 3.557 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-n2ccnn2)cc1 ZINC000539331575 871712964 /nfs/dbraw/zinc/71/29/64/871712964.db2.gz LKMICEXBHKFQDZ-OAHLLOKOSA-N 1 0 386.377 3.868 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000921073881 882539687 /nfs/dbraw/zinc/53/96/87/882539687.db2.gz USMQRTCPKGNQOJ-OAHLLOKOSA-N 1 0 380.330 3.769 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000776968458 882541809 /nfs/dbraw/zinc/54/18/09/882541809.db2.gz RHUATJVRBZJUBL-UHFFFAOYSA-N 1 0 383.495 3.793 20 30 GHEDRO CC[C@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000447522412 871746922 /nfs/dbraw/zinc/74/69/22/871746922.db2.gz YOKSTZPDCWKMGC-XZOQPEGZSA-N 1 0 379.504 3.681 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc2ccccc2nc1NC(=O)CC#N ZINC001169684134 871751892 /nfs/dbraw/zinc/75/18/92/871751892.db2.gz GERWZOXLIOPHGM-INIZCTEOSA-N 1 0 386.459 3.722 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528998 871761175 /nfs/dbraw/zinc/76/11/75/871761175.db2.gz KMVLTPGIKRTIMV-ZWKOTPCHSA-N 1 0 385.493 3.670 20 30 GHEDRO CC[C@@H]([NH2+]CCN1CCc2cc(OC)c(OC)cc2C1)c1ccc(C#N)cc1 ZINC000447541032 871811786 /nfs/dbraw/zinc/81/17/86/871811786.db2.gz FIROMCRXBAPBOX-OAQYLSRUSA-N 1 0 379.504 3.674 20 30 GHEDRO COc1cc2c(cc1C[NH+]1CCC(Oc3ccc(C#N)cc3)CC1)O[C@@H](C)C2 ZINC000525998690 871867986 /nfs/dbraw/zinc/86/79/86/871867986.db2.gz PKBVCQUSVJFPAB-INIZCTEOSA-N 1 0 378.472 3.934 20 30 GHEDRO CCCCCCCCOC(=O)N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001194740859 871902272 /nfs/dbraw/zinc/90/22/72/871902272.db2.gz RXUWTRJSTYRXKL-WOJBJXKFSA-N 1 0 376.545 3.671 20 30 GHEDRO N#Cc1cncc(C[N@H+]2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 ZINC001194782221 871929330 /nfs/dbraw/zinc/92/93/30/871929330.db2.gz PDMRHBLKFPLGAA-HKUYNNGSSA-N 1 0 386.293 3.661 20 30 GHEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182172688 871938420 /nfs/dbraw/zinc/93/84/20/871938420.db2.gz CIMXABGVKVKGMI-HXUWFJFHSA-N 1 0 376.548 3.633 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618797035 872005715 /nfs/dbraw/zinc/00/57/15/872005715.db2.gz ZXDMGUDACQTESU-QFIPXVFZSA-N 1 0 376.504 3.887 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802906 872013036 /nfs/dbraw/zinc/01/30/36/872013036.db2.gz NRJIWZBJIUWYLV-AOMKIAJQSA-N 1 0 397.544 3.927 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC001194899466 872019415 /nfs/dbraw/zinc/01/94/15/872019415.db2.gz SRDTVOGDAKORMK-GOSISDBHSA-N 1 0 379.549 3.910 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@H]1c1cccs1 ZINC000618815713 872021568 /nfs/dbraw/zinc/02/15/68/872021568.db2.gz OUYUZXIWZLYLCD-LMNJBCLMSA-N 1 0 394.544 3.989 20 30 GHEDRO CC(C)(CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000477854101 872064543 /nfs/dbraw/zinc/06/45/43/872064543.db2.gz OIJKARWBIRVAHC-UHFFFAOYSA-N 1 0 381.442 3.621 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000526082679 872071215 /nfs/dbraw/zinc/07/12/15/872071215.db2.gz VVCSFTDXFZAWQZ-UHFFFAOYSA-N 1 0 381.867 3.734 20 30 GHEDRO COc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C1CCCCC1)C2 ZINC000526135755 872165175 /nfs/dbraw/zinc/16/51/75/872165175.db2.gz LQRUHUFMQXSIPG-OAQYLSRUSA-N 1 0 381.520 3.565 20 30 GHEDRO Fc1ccc(C#CC[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1 ZINC001195094165 872168044 /nfs/dbraw/zinc/16/80/44/872168044.db2.gz NRSYHPNYJQDDJO-VQTJNVASSA-N 1 0 376.397 3.797 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)CCC1 ZINC000526287202 872223539 /nfs/dbraw/zinc/22/35/39/872223539.db2.gz DPCXYKFHXWDRHK-MRXNPFEDSA-N 1 0 385.817 3.962 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794145702 882590846 /nfs/dbraw/zinc/59/08/46/882590846.db2.gz BOYDTJSZTFHPDC-OAQYLSRUSA-N 1 0 379.504 3.699 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CC(c4ccccc4)C3)CC2)cc1 ZINC000478045164 872412679 /nfs/dbraw/zinc/41/26/79/872412679.db2.gz ZKOBDNHLRXWKJV-UHFFFAOYSA-N 1 0 388.515 3.722 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000921124799 882617263 /nfs/dbraw/zinc/61/72/63/882617263.db2.gz URQWLOYMPOPHMV-HNNXBMFYSA-N 1 0 386.721 3.685 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000115695451 882619021 /nfs/dbraw/zinc/61/90/21/882619021.db2.gz ALJHERPZVGUAEB-IBGZPJMESA-N 1 0 398.482 3.568 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(C#N)c(F)c1 ZINC000527040238 872521301 /nfs/dbraw/zinc/52/13/01/872521301.db2.gz GTCCQDKIQDEZMM-XCLFUZPHSA-N 1 0 387.405 3.817 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C#N)Cc1ccccc1 ZINC000619355391 872587816 /nfs/dbraw/zinc/58/78/16/872587816.db2.gz ATHSSZXXDJDGFD-IBGZPJMESA-N 1 0 381.549 3.719 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1OC ZINC000623573908 872664625 /nfs/dbraw/zinc/66/46/25/872664625.db2.gz ZXAOSLVICQNVLN-HXUWFJFHSA-N 1 0 383.916 3.571 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc(C#N)c2)C12CCCC2 ZINC001195844294 872710994 /nfs/dbraw/zinc/71/09/94/872710994.db2.gz ZXPLFDZMCVGGGZ-MOPGFXCFSA-N 1 0 385.508 3.503 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000448047112 872771824 /nfs/dbraw/zinc/77/18/24/872771824.db2.gz CADRMGUEWYNICO-CTNGQTDRSA-N 1 0 380.488 3.608 20 30 GHEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000619611758 872784751 /nfs/dbraw/zinc/78/47/51/872784751.db2.gz QCPFYSMJGSVVHQ-UXHICEINSA-N 1 0 387.483 3.688 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000541055364 872808844 /nfs/dbraw/zinc/80/88/44/872808844.db2.gz XURLUKNDFPYKIU-QAPCUYQASA-N 1 0 375.538 3.550 20 30 GHEDRO Cc1nc(NC(=O)N(CCC#N)CCC[NH+](C)C)sc1Cc1ccccc1 ZINC000619664771 872875806 /nfs/dbraw/zinc/87/58/06/872875806.db2.gz XPCBTYDQTQNBRT-UHFFFAOYSA-N 1 0 385.537 3.742 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000191927211 882670753 /nfs/dbraw/zinc/67/07/53/882670753.db2.gz BXTFBYZBHJQTTQ-UHFFFAOYSA-N 1 0 393.531 3.855 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619750051 872985951 /nfs/dbraw/zinc/98/59/51/872985951.db2.gz WYBPHEJLFBUVGZ-UHFFFAOYSA-N 1 0 397.910 3.594 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000619769924 873009250 /nfs/dbraw/zinc/00/92/50/873009250.db2.gz TXNHFMGNMJBHRI-UHFFFAOYSA-N 1 0 382.895 3.807 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619803927 873024117 /nfs/dbraw/zinc/02/41/17/873024117.db2.gz KCUZVJKCTMGWCW-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO Cc1ccc(C[NH+]2CCC(NC(=S)Nc3ccccc3C#N)CC2)c(F)c1 ZINC001196342994 873044216 /nfs/dbraw/zinc/04/42/16/873044216.db2.gz AJEYXRPVOCRSMY-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC001196346384 873047305 /nfs/dbraw/zinc/04/73/05/873047305.db2.gz XLZWPOTXFYVWDO-UHFFFAOYSA-N 1 0 382.508 3.896 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(Cl)cc1 ZINC000619825303 873059054 /nfs/dbraw/zinc/05/90/54/873059054.db2.gz LIFWRARHWMQZLX-SFHVURJKSA-N 1 0 380.879 3.851 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443486738 873130822 /nfs/dbraw/zinc/13/08/22/873130822.db2.gz GCAYMNPLWIIFAJ-UHFFFAOYSA-N 1 0 393.422 3.722 20 30 GHEDRO Cc1ccccc1CN1CCO[C@H](c2noc(-c3sccc3CC#N)n2)C1 ZINC000867179417 873158026 /nfs/dbraw/zinc/15/80/26/873158026.db2.gz APLWNVZJSMJUOT-KRWDZBQOSA-N 1 0 380.473 3.746 20 30 GHEDRO C=CC[N@H+](Cc1ccnn1-c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000448336093 873253396 /nfs/dbraw/zinc/25/33/96/873253396.db2.gz ZHJSEAUEUXHOLR-GOSISDBHSA-N 1 0 385.475 3.597 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1[nH]c(C)c(C)c1C#N)[C@H](C)Cc1ccc(O)cc1 ZINC001183047377 912216513 /nfs/dbraw/zinc/21/65/13/912216513.db2.gz DFPVHWJDBCFKQF-OAHLLOKOSA-N 1 0 382.508 3.881 20 30 GHEDRO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CCC(=O)N(C)CCC#N)c1 ZINC000541330163 873378912 /nfs/dbraw/zinc/37/89/12/873378912.db2.gz KNASKYYKXAQEBG-UPVQGACJSA-N 1 0 391.515 3.988 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCC(=O)N(C)CCC#N)c1 ZINC000541330159 873379551 /nfs/dbraw/zinc/37/95/51/873379551.db2.gz KNASKYYKXAQEBG-ISKFKSNPSA-N 1 0 391.515 3.988 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NCC3CC[NH+](C4CCCCC4)CC3)no2)c1 ZINC001196771855 873379807 /nfs/dbraw/zinc/37/98/07/873379807.db2.gz QKDIDUJUFNAXQR-UHFFFAOYSA-N 1 0 392.503 3.988 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)cc(OC)c1 ZINC000768554275 873381319 /nfs/dbraw/zinc/38/13/19/873381319.db2.gz HEARPPXGQUQDDZ-GOSISDBHSA-N 1 0 381.476 3.683 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@@H]2CC ZINC001169996273 873582071 /nfs/dbraw/zinc/58/20/71/873582071.db2.gz RJGJHVFIPJLBNE-GCJKJVERSA-N 1 0 377.573 3.819 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1c(Br)cccc1SCC ZINC001205801351 873619117 /nfs/dbraw/zinc/61/91/17/873619117.db2.gz YJLJUGUSSVPJSH-UHFFFAOYSA-N 1 0 384.343 3.638 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000769057070 873792694 /nfs/dbraw/zinc/79/26/94/873792694.db2.gz SMSFBKKFUTWEAH-UHFFFAOYSA-N 1 0 382.891 3.700 20 30 GHEDRO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000769335038 873976019 /nfs/dbraw/zinc/97/60/19/873976019.db2.gz SLHDOPOMNDIFLA-KRWDZBQOSA-N 1 0 376.497 3.701 20 30 GHEDRO N#Cc1cccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1Br ZINC000448817091 873990928 /nfs/dbraw/zinc/99/09/28/873990928.db2.gz BVLIBBVZOBDBLM-UHFFFAOYSA-N 1 0 390.325 3.705 20 30 GHEDRO COc1cc(NC(=S)Nc2cccc(C#N)c2)ccc1OCC[NH+]1CCCC1 ZINC001197723461 874008741 /nfs/dbraw/zinc/00/87/41/874008741.db2.gz PTCAYEOFOURXQZ-UHFFFAOYSA-N 1 0 396.516 3.850 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)cc1 ZINC000769500383 874108709 /nfs/dbraw/zinc/10/87/09/874108709.db2.gz YRIDSSRABQLJMA-GOSISDBHSA-N 1 0 396.453 3.712 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464583159 874138697 /nfs/dbraw/zinc/13/86/97/874138697.db2.gz ZSJBCLODIGAENE-UHFFFAOYSA-N 1 0 380.488 3.887 20 30 GHEDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595771738 874182118 /nfs/dbraw/zinc/18/21/18/874182118.db2.gz CUKDTKFOEWTEJM-QGZVFWFLSA-N 1 0 395.478 3.512 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2C[C@@H](c3ccccc3)CC2(C)C)c1 ZINC001198289839 874328580 /nfs/dbraw/zinc/32/85/80/874328580.db2.gz UNBSGGYHKSEODO-IBGZPJMESA-N 1 0 375.472 3.584 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775834214 874341804 /nfs/dbraw/zinc/34/18/04/874341804.db2.gz LWCUYQVLHLZMST-GOSISDBHSA-N 1 0 394.519 3.749 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000769964260 874368278 /nfs/dbraw/zinc/36/82/78/874368278.db2.gz QDQWLRDLCBAUFV-QGZVFWFLSA-N 1 0 391.471 3.534 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000464747160 874406854 /nfs/dbraw/zinc/40/68/54/874406854.db2.gz LRJOBIXJCVJNSE-QFIPXVFZSA-N 1 0 395.528 3.826 20 30 GHEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541852442 874426287 /nfs/dbraw/zinc/42/62/87/874426287.db2.gz IJZMLCMYZJDPIW-UHFFFAOYSA-N 1 0 387.443 3.914 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCS1 ZINC000464791026 874518546 /nfs/dbraw/zinc/51/85/46/874518546.db2.gz KNTRYZNNELPZQH-ZIAGYGMSSA-N 1 0 377.579 3.901 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)cc1 ZINC000770288144 874571082 /nfs/dbraw/zinc/57/10/82/874571082.db2.gz GFRYCOZNPCSGPD-GOSISDBHSA-N 1 0 399.560 3.570 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508878398 874590901 /nfs/dbraw/zinc/59/09/01/874590901.db2.gz HNZALTTUCVYHIR-GCJKJVERSA-N 1 0 399.535 3.859 20 30 GHEDRO COCCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000528576078 874730672 /nfs/dbraw/zinc/73/06/72/874730672.db2.gz GIRQLRVJYOGOSJ-HNNXBMFYSA-N 1 0 389.565 3.822 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CSc3ccccc32)c(-c2ccncc2)n1 ZINC000449367885 874766687 /nfs/dbraw/zinc/76/66/87/874766687.db2.gz ZQMRWYHXGIVARY-SFHVURJKSA-N 1 0 375.501 3.838 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(C)nc(C)c2)cc1 ZINC001199058580 874780158 /nfs/dbraw/zinc/78/01/58/874780158.db2.gz FAZGHVNJSKQYEU-UHFFFAOYSA-N 1 0 378.476 3.834 20 30 GHEDRO C[C@@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038417 874830747 /nfs/dbraw/zinc/83/07/47/874830747.db2.gz CHOHAQZGUDHGSK-OAHLLOKOSA-N 1 0 381.443 3.787 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc(O)cc2)sc2c1CCC2 ZINC000609144451 874857763 /nfs/dbraw/zinc/85/77/63/874857763.db2.gz IEIUSNZTBDKTTL-GOSISDBHSA-N 1 0 381.501 3.980 20 30 GHEDRO Clc1cccc(C#CC[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1 ZINC000528721323 874959358 /nfs/dbraw/zinc/95/93/58/874959358.db2.gz XWBIYNHALIREHC-UHFFFAOYSA-N 1 0 399.922 3.923 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528735145 874984176 /nfs/dbraw/zinc/98/41/76/874984176.db2.gz NXYHJQAGZYYGEE-NRFANRHFSA-N 1 0 381.501 3.808 20 30 GHEDRO N#CC(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)(c1ccccc1)c1ccccc1 ZINC000528780196 875052465 /nfs/dbraw/zinc/05/24/65/875052465.db2.gz BVRZSWRQWQVKME-UMTXDNHDSA-N 1 0 378.541 3.872 20 30 GHEDRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)cc2)n1 ZINC000105491402 875312410 /nfs/dbraw/zinc/31/24/10/875312410.db2.gz UDCLZZDOHOFWJE-INIZCTEOSA-N 1 0 376.460 3.922 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776093739 875330009 /nfs/dbraw/zinc/33/00/09/875330009.db2.gz XSYUFSBRBUKJCK-ICSRJNTNSA-N 1 0 377.488 3.731 20 30 GHEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000443732157 875354464 /nfs/dbraw/zinc/35/44/64/875354464.db2.gz LBSGFIWSKZPEEX-UHFFFAOYSA-N 1 0 395.956 3.533 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000528980420 875372373 /nfs/dbraw/zinc/37/23/73/875372373.db2.gz YTPSARNLYITUSC-FGZHOGPDSA-N 1 0 391.490 3.994 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC001201122330 875536322 /nfs/dbraw/zinc/53/63/22/875536322.db2.gz UNIFOFCRQCOVSX-UHFFFAOYSA-N 1 0 393.354 3.578 20 30 GHEDRO COCc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000529209583 875831847 /nfs/dbraw/zinc/83/18/47/875831847.db2.gz IFLKIPDPPPZRLY-HTAPYJJXSA-N 1 0 392.503 3.879 20 30 GHEDRO COCc1ccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1C#N ZINC000529209504 875831968 /nfs/dbraw/zinc/83/19/68/875831968.db2.gz HYNBQGPHEDATPS-GOSISDBHSA-N 1 0 392.503 3.833 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(COC)c(C#N)c2)c1 ZINC000529210309 875835244 /nfs/dbraw/zinc/83/52/44/875835244.db2.gz LATOGCPYUFWLMD-UHFFFAOYSA-N 1 0 380.492 3.868 20 30 GHEDRO CCCCCCCCC[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001201840124 875899876 /nfs/dbraw/zinc/89/98/76/875899876.db2.gz VEVZLSJHBNHCPM-TUNNFDKTSA-N 1 0 380.573 3.608 20 30 GHEDRO CCCCCCCCCCN1Cc2nccn2C[C@H](C[NH+]2CCN(C)CC2)C1 ZINC001201875005 875918734 /nfs/dbraw/zinc/91/87/34/875918734.db2.gz NLGOUEQIFXZLRL-JOCHJYFZSA-N 1 0 389.632 3.703 20 30 GHEDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000151798317 875927499 /nfs/dbraw/zinc/92/74/99/875927499.db2.gz WCTVJTIMYHUHII-KBPBESRZSA-N 1 0 385.489 3.783 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2cccc(C#N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000450251611 876143044 /nfs/dbraw/zinc/14/30/44/876143044.db2.gz CAMWESGBDZHUFY-IYBDPMFKSA-N 1 0 380.448 3.688 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccccc1CC#N ZINC000777020518 883018145 /nfs/dbraw/zinc/01/81/45/883018145.db2.gz ZIRJCCMIUSETPA-HROJSSOGSA-N 1 0 375.516 3.568 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+]Cc3nc(C#N)cs3)C(C)(C)[C@H]21 ZINC000858324315 883026262 /nfs/dbraw/zinc/02/62/62/883026262.db2.gz VGBXDHLEHXWWGA-KBMXLJTQSA-N 1 0 376.526 3.528 20 30 GHEDRO N#CCc1ccc(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)cc1 ZINC000786110023 876451673 /nfs/dbraw/zinc/45/16/73/876451673.db2.gz USKHNSIQZKNPGO-UHFFFAOYSA-N 1 0 377.488 3.891 20 30 GHEDRO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000443886052 876466385 /nfs/dbraw/zinc/46/63/85/876466385.db2.gz SIXZKFZAFCRSSD-COPCDDAFSA-N 1 0 385.552 3.822 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1OC ZINC000152133274 876973507 /nfs/dbraw/zinc/97/35/07/876973507.db2.gz WIKUDTRHKPRHOK-VLCRHTCISA-N 1 0 393.531 3.986 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+][C@@H]1CCCc3cc(C#N)ccc31)O2 ZINC000850542627 877012011 /nfs/dbraw/zinc/01/20/11/877012011.db2.gz SFYQLTUNDAHUSU-UYAOXDASSA-N 1 0 397.519 3.694 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772692123 877079964 /nfs/dbraw/zinc/07/99/64/877079964.db2.gz UCZRJWGEAYDQEX-UHFFFAOYSA-N 1 0 382.460 3.764 20 30 GHEDRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1C#N ZINC000443966682 877156696 /nfs/dbraw/zinc/15/66/96/877156696.db2.gz LRPZJNUOOULTSL-SFHVURJKSA-N 1 0 376.504 3.974 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1OC ZINC000180817875 883102039 /nfs/dbraw/zinc/10/20/39/883102039.db2.gz WRDMLIMBAXHYHI-OAQYLSRUSA-N 1 0 394.519 3.525 20 30 GHEDRO COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000787185245 877235645 /nfs/dbraw/zinc/23/56/45/877235645.db2.gz ZIWLVTCZNHDUJU-YHYXMXQVSA-N 1 0 398.890 3.775 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000174776771 877240381 /nfs/dbraw/zinc/24/03/81/877240381.db2.gz WZXWBTMZEVKBLJ-UHFFFAOYSA-N 1 0 379.504 3.812 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000609984610 877249628 /nfs/dbraw/zinc/24/96/28/877249628.db2.gz RQXNLTSYFDYSNM-QFIPXVFZSA-N 1 0 377.488 3.549 20 30 GHEDRO O[C@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)COc1ccccc1Cl ZINC000515467088 877347846 /nfs/dbraw/zinc/34/78/46/877347846.db2.gz MOIFNPKZSWSNPR-MRXNPFEDSA-N 1 0 383.797 3.740 20 30 GHEDRO CC[N@H+](CCCOc1cccc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000477280359 877349092 /nfs/dbraw/zinc/34/90/92/877349092.db2.gz KCJJDWPTEGFUCL-UHFFFAOYSA-N 1 0 378.520 3.961 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)C2(C[NH+](C)C)CCCCC2)ccc1OC ZINC000787358857 877373755 /nfs/dbraw/zinc/37/37/55/877373755.db2.gz MIUZRIWBNFZLKY-SFHVURJKSA-N 1 0 387.524 3.504 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000174967307 877373853 /nfs/dbraw/zinc/37/38/53/877373853.db2.gz LREOXWXGWNKPMW-FQEVSTJZSA-N 1 0 394.515 3.854 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc([N+](=O)[O-])cc2OC)ccc1O ZINC000746682436 877407891 /nfs/dbraw/zinc/40/78/91/877407891.db2.gz VXYGBZQYOFNAMF-UHFFFAOYSA-N 1 0 386.452 3.987 20 30 GHEDRO N#CC1(COC(=O)CCCc2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000851109361 877416106 /nfs/dbraw/zinc/41/61/06/877416106.db2.gz MNCVYVLXCNQFDK-UHFFFAOYSA-N 1 0 377.488 3.753 20 30 GHEDRO Cn1cncc1[C@@H]1[C@@H](COC(=O)CC2(C#N)CCCCC2)CCC[N@@H+]1C1CC1 ZINC000851110051 877417866 /nfs/dbraw/zinc/41/78/66/877417866.db2.gz POBIEOZPPNHVLB-UTKZUKDTSA-N 1 0 384.524 3.743 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@H]1C ZINC000610133543 877449078 /nfs/dbraw/zinc/44/90/78/877449078.db2.gz ILBANGVYTWLHTR-OXQOHEQNSA-N 1 0 399.583 3.835 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)NCc1ccc(Br)c(C(F)(F)F)c1 ZINC001183086163 912241668 /nfs/dbraw/zinc/24/16/68/912241668.db2.gz RMDHHHSSQFTBKV-UHFFFAOYSA-N 1 0 391.231 3.736 20 30 GHEDRO C#Cc1ccc(CNC(=O)CCC[N@@H+](CC)[C@H](C)Cc2ccc(O)cc2)cc1 ZINC001183059134 912253768 /nfs/dbraw/zinc/25/37/68/912253768.db2.gz VDQNRHFLJZMEGB-LJQANCHMSA-N 1 0 378.516 3.723 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000237573958 877621980 /nfs/dbraw/zinc/62/19/80/877621980.db2.gz YTHDONSJOJGYLH-RHSMWYFYSA-N 1 0 394.393 3.526 20 30 GHEDRO OC[C@@]1(F)CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451253340 877667646 /nfs/dbraw/zinc/66/76/46/877667646.db2.gz AHOXRYYFYBCFNE-UXHICEINSA-N 1 0 377.381 3.857 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)o2)cc1 ZINC000285415303 912282151 /nfs/dbraw/zinc/28/21/51/912282151.db2.gz BOWJVWKQHJYPQS-QHAWAJNXSA-N 1 0 386.455 3.613 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460545897 877868580 /nfs/dbraw/zinc/86/85/80/877868580.db2.gz BGUHWVNKHPHDAF-UHFFFAOYSA-N 1 0 397.567 3.786 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000746742094 877981501 /nfs/dbraw/zinc/98/15/01/877981501.db2.gz ORZMHQZUAWHDPS-UHFFFAOYSA-N 1 0 385.261 3.631 20 30 GHEDRO C[NH+](C)Cc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000551920077 878024632 /nfs/dbraw/zinc/02/46/32/878024632.db2.gz ITSLUZZKZRQPIT-UHFFFAOYSA-N 1 0 380.467 3.614 20 30 GHEDRO CC[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[NH+](CC)CC ZINC000530569567 878081584 /nfs/dbraw/zinc/08/15/84/878081584.db2.gz YUCSZILEBBKADF-HXUWFJFHSA-N 1 0 378.476 3.869 20 30 GHEDRO CCC(CC)n1nc(C)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000179845126 878098763 /nfs/dbraw/zinc/09/87/63/878098763.db2.gz AZNNANKTJYXKNC-UHFFFAOYSA-N 1 0 381.524 3.628 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460572506 878177328 /nfs/dbraw/zinc/17/73/28/878177328.db2.gz JENSNPPQCOHHSA-PZJWPPBQSA-N 1 0 397.567 3.738 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460588692 878235511 /nfs/dbraw/zinc/23/55/11/878235511.db2.gz YJTFHEZAGDTMOK-PZJWPPBQSA-N 1 0 397.567 3.880 20 30 GHEDRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000852320767 878237184 /nfs/dbraw/zinc/23/71/84/878237184.db2.gz OMMKZEUVFMBXPF-IEBWSBKVSA-N 1 0 387.524 3.929 20 30 GHEDRO CCOC1CC2(C1)CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C2 ZINC000285534735 912328404 /nfs/dbraw/zinc/32/84/04/912328404.db2.gz QBSYFOVNNKLYER-UHFFFAOYSA-N 1 0 389.927 3.786 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000455908876 878277004 /nfs/dbraw/zinc/27/70/04/878277004.db2.gz APJZQBIFDFAQBO-OAQYLSRUSA-N 1 0 380.492 3.584 20 30 GHEDRO COCC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000451695141 878312336 /nfs/dbraw/zinc/31/23/36/878312336.db2.gz OOFFSQWPZVIVJW-HNNXBMFYSA-N 1 0 397.422 3.944 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000537813701 878328986 /nfs/dbraw/zinc/32/89/86/878328986.db2.gz YDUAPWCKXJOWEO-GOSISDBHSA-N 1 0 383.536 3.686 20 30 GHEDRO C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000451706031 878332865 /nfs/dbraw/zinc/33/28/65/878332865.db2.gz JLKQXRNZIQVEBC-SFHVURJKSA-N 1 0 387.487 3.562 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000451680690 878335546 /nfs/dbraw/zinc/33/55/46/878335546.db2.gz MNIKECDJGLWXPX-RZUBCFFCSA-N 1 0 384.907 3.869 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000451680691 878335967 /nfs/dbraw/zinc/33/59/67/878335967.db2.gz MNIKECDJGLWXPX-URVUXULASA-N 1 0 384.907 3.869 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000451684289 878340002 /nfs/dbraw/zinc/34/00/02/878340002.db2.gz VBJFGNAOJRNKNP-RTWAWAEBSA-N 1 0 378.472 3.969 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc(F)cc1C#N ZINC000530721806 878387407 /nfs/dbraw/zinc/38/74/07/878387407.db2.gz IZLBLRRSYUGCBK-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO N#Cc1ccccc1C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600181 878455161 /nfs/dbraw/zinc/45/51/61/878455161.db2.gz DMSNADQQXWUEMZ-GOSISDBHSA-N 1 0 379.426 3.571 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000180068077 878459152 /nfs/dbraw/zinc/45/91/52/878459152.db2.gz LXFXBVPFLVKGNK-LEWJYISDSA-N 1 0 376.460 3.666 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000451819368 878528734 /nfs/dbraw/zinc/52/87/34/878528734.db2.gz AGAZZGQLQAGPPN-MRXNPFEDSA-N 1 0 388.581 3.633 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000180126925 878537198 /nfs/dbraw/zinc/53/71/98/878537198.db2.gz FRIJLGJSBXWINI-FPOVZHCZSA-N 1 0 380.488 3.608 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852732398 878562297 /nfs/dbraw/zinc/56/22/97/878562297.db2.gz TXGRFXYIDDRWMQ-QZTJIDSGSA-N 1 0 391.924 3.950 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460790173 878566933 /nfs/dbraw/zinc/56/69/33/878566933.db2.gz LIUXXEKQNKIQJB-QZTJIDSGSA-N 1 0 392.551 3.845 20 30 GHEDRO C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000852815470 878616953 /nfs/dbraw/zinc/61/69/53/878616953.db2.gz UPWFGBGDJIJXNV-QGZVFWFLSA-N 1 0 390.487 3.511 20 30 GHEDRO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472156 878672906 /nfs/dbraw/zinc/67/29/06/878672906.db2.gz ZLPKBZNYYIJAHW-QFIPXVFZSA-N 1 0 393.531 3.919 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451968822 878748564 /nfs/dbraw/zinc/74/85/64/878748564.db2.gz UTTMVVRQRNRAHC-NRFANRHFSA-N 1 0 387.549 3.551 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000068589076 878767786 /nfs/dbraw/zinc/76/77/86/878767786.db2.gz RDQYNLWNZOCBOR-HNNXBMFYSA-N 1 0 386.446 3.671 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177632133 878786653 /nfs/dbraw/zinc/78/66/53/878786653.db2.gz LLNKFXCTDIHAMU-QGZVFWFLSA-N 1 0 378.438 3.828 20 30 GHEDRO C#CCn1ccc(C[N@H+](CC)CCCc2ccc(Br)cc2OC)n1 ZINC000789328776 878861769 /nfs/dbraw/zinc/86/17/69/878861769.db2.gz GUFFPRRXYCKZOT-UHFFFAOYSA-N 1 0 390.325 3.742 20 30 GHEDRO C[NH+](C)C[C@@H](OC(=O)Cc1ccccc1CC#N)c1cc(F)c(F)c(F)c1 ZINC000853211796 878891766 /nfs/dbraw/zinc/89/17/66/878891766.db2.gz DJUJEXHSPRMQPA-GOSISDBHSA-N 1 0 376.378 3.559 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cc(F)c(F)c(F)c1 ZINC000180495311 878964684 /nfs/dbraw/zinc/96/46/84/878964684.db2.gz BEWYLJBUOQVIMM-UHFFFAOYSA-N 1 0 393.434 3.986 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(Br)cnc2C#N)C1 ZINC000853331946 878970988 /nfs/dbraw/zinc/97/09/88/878970988.db2.gz AMXJMJADTZGFTH-CABCVRRESA-N 1 0 377.330 3.807 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](COc2ccccc2)c2ccccc2)c1 ZINC000538217740 879034323 /nfs/dbraw/zinc/03/43/23/879034323.db2.gz JEOQQQWYOFMSPK-QHCPKHFHSA-N 1 0 385.467 3.584 20 30 GHEDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000597603882 879158918 /nfs/dbraw/zinc/15/89/18/879158918.db2.gz FYEMHQSZHAXXKC-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2)CC1 ZINC000285776743 912434728 /nfs/dbraw/zinc/43/47/28/912434728.db2.gz JUUUHDVDMJSQOF-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO C#C[C@H](NC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000853730165 879249939 /nfs/dbraw/zinc/24/99/39/879249939.db2.gz KXSPXAUUENKMNJ-RXVVDRJESA-N 1 0 385.552 3.624 20 30 GHEDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000068991004 879387739 /nfs/dbraw/zinc/38/77/39/879387739.db2.gz OHHMAPOLJKXJTN-QGZVFWFLSA-N 1 0 379.439 3.748 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000538406851 879395607 /nfs/dbraw/zinc/39/56/07/879395607.db2.gz WFOBHRLNPWEPRA-UGSOOPFHSA-N 1 0 389.377 3.913 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C#N)o2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452450128 879462835 /nfs/dbraw/zinc/46/28/35/879462835.db2.gz FSXRFTQVQZPFDS-OAQYLSRUSA-N 1 0 377.488 3.914 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[N@@H+](C(C)C)CC2)c1C#N ZINC000069082604 879515328 /nfs/dbraw/zinc/51/53/28/879515328.db2.gz DLVFYAIPSSBVRE-UHFFFAOYSA-N 1 0 399.583 3.836 20 30 GHEDRO C=CCNC(=O)c1cccc(-c2noc(-c3ccc4c(c3)[C@@H](C[NH3+])CCC4)n2)c1 ZINC000854138741 879576263 /nfs/dbraw/zinc/57/62/63/879576263.db2.gz SCSXBEZDNXTSIW-LJQANCHMSA-N 1 0 388.471 3.698 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000627016745 879685208 /nfs/dbraw/zinc/68/52/08/879685208.db2.gz PGTVARGIHVSPQQ-XEZPLFJOSA-N 1 0 391.384 3.751 20 30 GHEDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000854370412 879763058 /nfs/dbraw/zinc/76/30/58/879763058.db2.gz OEYKINQDMHXYGG-NRFANRHFSA-N 1 0 377.488 3.597 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1)C1N=CC=CC1=O ZINC000790545214 879836419 /nfs/dbraw/zinc/83/64/19/879836419.db2.gz UPEMAJUEUPWYIR-MRCUWXFGSA-N 1 0 381.863 3.623 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1Cn1cccn1 ZINC000181155953 879988627 /nfs/dbraw/zinc/98/86/27/879988627.db2.gz RVPSFWSLEXOERK-QGZVFWFLSA-N 1 0 376.460 3.541 20 30 GHEDRO COc1ccc(C[NH+](C)C)cc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000543703128 880122992 /nfs/dbraw/zinc/12/29/92/880122992.db2.gz VOBRMJMNLDXFTK-UHFFFAOYSA-N 1 0 375.476 3.641 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccco1 ZINC000286005675 912535480 /nfs/dbraw/zinc/53/54/80/912535480.db2.gz IYACMKXLDFJXPN-LJQANCHMSA-N 1 0 376.522 3.905 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](CCC#N)c3ccccc3)c2)CC1 ZINC000184896007 880410828 /nfs/dbraw/zinc/41/08/28/880410828.db2.gz QFHCMUSQVITGNR-JOCHJYFZSA-N 1 0 391.519 3.995 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(F)c(I)c2)CC1 ZINC000453106750 880474770 /nfs/dbraw/zinc/47/47/70/880474770.db2.gz ZXFIATGCECEQTG-LBPRGKRZSA-N 1 0 388.268 3.731 20 30 GHEDRO COc1cc(CN(C)[C@H]2CC(C)(C)OC2=O)ccc1OCc1cccc(C#N)c1 ZINC000795708934 912586945 /nfs/dbraw/zinc/58/69/45/912586945.db2.gz CRCZVQMQVRXKKE-IBGZPJMESA-N 1 0 394.471 3.672 20 30 GHEDRO C#Cc1cccc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000113535484 880659454 /nfs/dbraw/zinc/65/94/54/880659454.db2.gz OHDGNWGXBJFMSB-GOSISDBHSA-N 1 0 377.488 3.689 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC000286152158 912593128 /nfs/dbraw/zinc/59/31/28/912593128.db2.gz OXCDBTIQQZOYFP-FCHUYYIVSA-N 1 0 383.442 3.925 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000286169419 912600548 /nfs/dbraw/zinc/60/05/48/912600548.db2.gz CSIXVVWQXSZRBZ-UHFFFAOYSA-N 1 0 397.404 3.995 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000453361596 880803125 /nfs/dbraw/zinc/80/31/25/880803125.db2.gz KRKMMAHARDZVBP-XJKSGUPXSA-N 1 0 391.284 3.962 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000453348629 880820873 /nfs/dbraw/zinc/82/08/73/880820873.db2.gz FVMNDWNWUPWHIR-UKRRQHHQSA-N 1 0 391.284 3.962 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453449564 881003224 /nfs/dbraw/zinc/00/32/24/881003224.db2.gz FEBIHNLWPCXYEU-YQVWRLOYSA-N 1 0 385.581 3.673 20 30 GHEDRO C=C(C)Cn1c(C2CCC2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453451422 881005933 /nfs/dbraw/zinc/00/59/33/881005933.db2.gz JPLMIPJJWMYMTC-UHFFFAOYSA-N 1 0 385.478 3.975 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453665381 881248143 /nfs/dbraw/zinc/24/81/43/881248143.db2.gz FMXJFYQAPCDJNK-OAQYLSRUSA-N 1 0 383.536 3.769 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000856476279 881276168 /nfs/dbraw/zinc/27/61/68/881276168.db2.gz STFIAQGECNDMTE-XADARROHSA-N 1 0 384.520 3.511 20 30 GHEDRO CC(C)[C@H](C#N)N1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000609487039 883248974 /nfs/dbraw/zinc/24/89/74/883248974.db2.gz VVWWLMUJZHAUNU-QHCPKHFHSA-N 1 0 390.531 3.848 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000184168225 883327384 /nfs/dbraw/zinc/32/73/84/883327384.db2.gz WDQRKRXCNZUMMO-HNNXBMFYSA-N 1 0 380.423 3.889 20 30 GHEDRO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135395400 883334796 /nfs/dbraw/zinc/33/47/96/883334796.db2.gz FXODGFCGDCXNMI-KXBFYZLASA-N 1 0 392.425 3.744 20 30 GHEDRO CC(C)C[C@H](CNC(=O)CNc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000609549884 883362921 /nfs/dbraw/zinc/36/29/21/883362921.db2.gz OWWYCEOAVCKUDX-XMSQKQJNSA-N 1 0 378.520 3.852 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609610295 883421980 /nfs/dbraw/zinc/42/19/80/883421980.db2.gz TZSNVYUPINMLEA-RBUKOAKNSA-N 1 0 378.520 3.891 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000610278241 883473090 /nfs/dbraw/zinc/47/30/90/883473090.db2.gz TVMMBZLPFDXFBY-NRFANRHFSA-N 1 0 392.890 3.615 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C1CC[NH+](C)CC1 ZINC000609630148 883487266 /nfs/dbraw/zinc/48/72/66/883487266.db2.gz MMMYNUJTNKLLAT-QGZVFWFLSA-N 1 0 377.488 3.597 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000609632121 883489916 /nfs/dbraw/zinc/48/99/16/883489916.db2.gz MYOLGPQTYKHIJG-SFHVURJKSA-N 1 0 397.544 3.720 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCCC1 ZINC000609660141 883499045 /nfs/dbraw/zinc/49/90/45/883499045.db2.gz MWZCXJNNFFKJKD-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C#C[C@H](NC(=O)NC1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1F ZINC000804961833 883513688 /nfs/dbraw/zinc/51/36/88/883513688.db2.gz LRXWVOGROLHUNZ-SFHVURJKSA-N 1 0 386.858 3.517 20 30 GHEDRO N#CCSc1ccccc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000763456437 883516994 /nfs/dbraw/zinc/51/69/94/883516994.db2.gz YXOIYMFCMPHRJO-UHFFFAOYSA-N 1 0 395.528 3.759 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1C ZINC000185602893 883565511 /nfs/dbraw/zinc/56/55/11/883565511.db2.gz IQGKYQMRQAWKAP-QUCCMNQESA-N 1 0 377.488 3.704 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000859254327 883695518 /nfs/dbraw/zinc/69/55/18/883695518.db2.gz TZACFJDWXGUGBJ-WMZOPIPTSA-N 1 0 382.426 3.566 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000609828627 883702722 /nfs/dbraw/zinc/70/27/22/883702722.db2.gz OJAXKJCKRUXTML-UHFFFAOYSA-N 1 0 396.510 3.748 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000609878524 883766884 /nfs/dbraw/zinc/76/68/84/883766884.db2.gz WZICKSZJGNNSKS-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO CN(C(=O)C(C)(C)c1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000859374060 883781116 /nfs/dbraw/zinc/78/11/16/883781116.db2.gz FRELRXZUNNYYQD-UHFFFAOYSA-N 1 0 375.516 3.959 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(CC#N)cc3Cl)ccc21 ZINC000453937337 883787956 /nfs/dbraw/zinc/78/79/56/883787956.db2.gz DTLUEEWGNHHBQS-IBGZPJMESA-N 1 0 396.878 3.532 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000859524994 883870929 /nfs/dbraw/zinc/87/09/29/883870929.db2.gz OTKWAAFVRWBPAH-SFHVURJKSA-N 1 0 397.346 3.657 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C2(c3nc(C)cs3)CCC2)c(OC)c1 ZINC000494809913 883871809 /nfs/dbraw/zinc/87/18/09/883871809.db2.gz LQFPYKHHBTWJNC-QGZVFWFLSA-N 1 0 388.533 3.597 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805827209 884141441 /nfs/dbraw/zinc/14/14/41/884141441.db2.gz PDXLVWMAYLWINZ-LEWJYISDSA-N 1 0 385.508 3.505 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)cc1OC(F)F ZINC000026452935 884201527 /nfs/dbraw/zinc/20/15/27/884201527.db2.gz BCAQMLCXVVLOAE-UHFFFAOYSA-N 1 0 395.431 3.690 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(c2ccc(C)cc2)CCOCC1)C(C)C ZINC000498366314 884211569 /nfs/dbraw/zinc/21/15/69/884211569.db2.gz WKKIFBFTKGGYFO-QFIPXVFZSA-N 1 0 384.564 3.858 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000498380623 884228332 /nfs/dbraw/zinc/22/83/32/884228332.db2.gz LCAGQBNETXTYGK-WOJBJXKFSA-N 1 0 381.907 3.906 20 30 GHEDRO C=CC[C@@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)C1 ZINC000666232916 884288109 /nfs/dbraw/zinc/28/81/09/884288109.db2.gz DWNJKOAYOJYVLT-GOSISDBHSA-N 1 0 386.540 3.657 20 30 GHEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000476287696 884374694 /nfs/dbraw/zinc/37/46/94/884374694.db2.gz IFDQXENOCCHMCQ-NRFANRHFSA-N 1 0 377.488 3.649 20 30 GHEDRO C=CC[C@@H](C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000495035674 884430286 /nfs/dbraw/zinc/43/02/86/884430286.db2.gz JTKMYWSLKLTDBQ-XMMPIXPASA-N 1 0 391.559 3.800 20 30 GHEDRO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183794702 912825503 /nfs/dbraw/zinc/82/55/03/912825503.db2.gz JCQAVNXYTWAMNR-KJJMTIBFSA-N 1 0 395.453 3.504 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCn3nc(C(=O)OC)cc32)cc1Cl ZINC000897985410 884545736 /nfs/dbraw/zinc/54/57/36/884545736.db2.gz MQUJUTMEIHUQDA-HNNXBMFYSA-N 1 0 375.856 3.513 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102954945 884653050 /nfs/dbraw/zinc/65/30/50/884653050.db2.gz PMDAXUUESNKUOX-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000487844215 884685313 /nfs/dbraw/zinc/68/53/13/884685313.db2.gz VVRMWUCHCAKHNW-SFHVURJKSA-N 1 0 399.466 3.576 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000860555881 884800042 /nfs/dbraw/zinc/80/00/42/884800042.db2.gz ORSDMJZJGSNLDS-UHFFFAOYSA-N 1 0 390.531 3.996 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H]1C ZINC000498555492 884824105 /nfs/dbraw/zinc/82/41/05/884824105.db2.gz RCCZXQVCADUOMT-MSOLQXFVSA-N 1 0 377.488 3.692 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C(C)(C)C)cc1 ZINC000761912726 884953992 /nfs/dbraw/zinc/95/39/92/884953992.db2.gz BRTLWKJRDBOELK-UHFFFAOYSA-N 1 0 395.503 3.590 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000806917275 885088151 /nfs/dbraw/zinc/08/81/51/885088151.db2.gz IDIMSCQZZSJQML-NZQKXSOJSA-N 1 0 375.516 3.742 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460375769 885097405 /nfs/dbraw/zinc/09/74/05/885097405.db2.gz YWBMPRAPUCFQJA-VJANTYMQSA-N 1 0 389.588 3.692 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000556508423 885167606 /nfs/dbraw/zinc/16/76/06/885167606.db2.gz KRKGCIJDYRVXCM-FQEVSTJZSA-N 1 0 395.572 3.762 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000807017277 885185546 /nfs/dbraw/zinc/18/55/46/885185546.db2.gz CABJSSPWQJGLDM-KOENEWCDSA-N 1 0 381.564 3.963 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000556534399 885262026 /nfs/dbraw/zinc/26/20/26/885262026.db2.gz QVHJLBAOQDRQRT-OAQYLSRUSA-N 1 0 381.501 3.919 20 30 GHEDRO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000537560134 885398270 /nfs/dbraw/zinc/39/82/70/885398270.db2.gz BCCOYGXUNQIMTH-WMZHIEFXSA-N 1 0 383.536 3.643 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000807468668 885463946 /nfs/dbraw/zinc/46/39/46/885463946.db2.gz AKONUKLHYHCXAN-QHCPKHFHSA-N 1 0 389.543 3.927 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000495368861 885544759 /nfs/dbraw/zinc/54/47/59/885544759.db2.gz LIEKJMGRFUQELA-LLVKDONJSA-N 1 0 376.229 3.749 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000487902178 885592570 /nfs/dbraw/zinc/59/25/70/885592570.db2.gz XKWRKQZOMJMMAJ-SWLSCSKDSA-N 1 0 379.302 3.657 20 30 GHEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000807662340 885593059 /nfs/dbraw/zinc/59/30/59/885593059.db2.gz CFDDJJMSCUKVGU-LZBANZJXSA-N 1 0 397.563 3.723 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2ccccc2OCC#N)[NH+](C)C)cc1 ZINC000807726913 885653813 /nfs/dbraw/zinc/65/38/13/885653813.db2.gz TVDSSQFLIYBYEC-OAQYLSRUSA-N 1 0 379.504 3.820 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc(OC)c1OC ZINC000807741167 885674744 /nfs/dbraw/zinc/67/47/44/885674744.db2.gz YWVCFCLLKNFCSV-DYESRHJHSA-N 1 0 394.515 3.825 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)nc1 ZINC000495449335 885817734 /nfs/dbraw/zinc/81/77/34/885817734.db2.gz BJNRWDHUSOUTES-OAQYLSRUSA-N 1 0 378.520 3.883 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC(C)(C)O1 ZINC000532487518 885822759 /nfs/dbraw/zinc/82/27/59/885822759.db2.gz FKXWIXKHARFWIO-UONOGXRCSA-N 1 0 375.538 3.572 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747435334 885871553 /nfs/dbraw/zinc/87/15/53/885871553.db2.gz HGPHDQNLSRPNSJ-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858513 885958007 /nfs/dbraw/zinc/95/80/07/885958007.db2.gz VBRBSYZHXTWNDS-GMAHTHKFSA-N 1 0 386.580 3.599 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@H](CC)C2)c1=S ZINC000915208516 886030612 /nfs/dbraw/zinc/03/06/12/886030612.db2.gz FEZVYPNITJGNKF-SFHVURJKSA-N 1 0 377.602 3.708 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000106275577 886031223 /nfs/dbraw/zinc/03/12/23/886031223.db2.gz IAOAFLVPZUWWCA-KRWDZBQOSA-N 1 0 382.508 3.757 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762367455 886087030 /nfs/dbraw/zinc/08/70/30/886087030.db2.gz UQGZFCYECJKXGW-IBGZPJMESA-N 1 0 388.471 3.597 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000808203025 886134598 /nfs/dbraw/zinc/13/45/98/886134598.db2.gz WXWSTACGFHSYRS-KSSFIOAISA-N 1 0 376.497 3.617 20 30 GHEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1I ZINC000532582925 886179545 /nfs/dbraw/zinc/17/95/45/886179545.db2.gz WLYBLALCQSINDW-UHFFFAOYSA-N 1 0 386.277 3.908 20 30 GHEDRO Cn1c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc(=O)n1-c1ccccc1 ZINC001184142045 913025708 /nfs/dbraw/zinc/02/57/08/913025708.db2.gz ANRNTPHFEPTWOF-UHFFFAOYSA-N 1 0 386.499 3.670 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)c(-c2ccccc2)n1 ZINC000113322472 886291340 /nfs/dbraw/zinc/29/13/40/886291340.db2.gz DWRGEKSLOFLZIS-UHFFFAOYSA-N 1 0 382.471 3.939 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000556836827 886303048 /nfs/dbraw/zinc/30/30/48/886303048.db2.gz CAKHVIITKOXULF-YPAWHYETSA-N 1 0 380.513 3.600 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000919763915 886316656 /nfs/dbraw/zinc/31/66/56/886316656.db2.gz ZAUOBQZBKQXFJT-VQIMIIECSA-N 1 0 388.471 3.816 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)CC1 ZINC000119095724 886426081 /nfs/dbraw/zinc/42/60/81/886426081.db2.gz XDQQLXFUNQBBKM-UHFFFAOYSA-N 1 0 391.515 3.734 20 30 GHEDRO N#CCc1cccc2c1CC[N@H+](Cc1cc3ccccc3nc1N1CCOCC1)C2 ZINC000862542229 886453348 /nfs/dbraw/zinc/45/33/48/886453348.db2.gz IYIQRHCRSARZCE-UHFFFAOYSA-N 1 0 398.510 3.696 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H]1[NH+](C)C ZINC000495713536 886490643 /nfs/dbraw/zinc/49/06/43/886490643.db2.gz QUDUQQCUPUEBEK-LEWJYISDSA-N 1 0 395.528 3.663 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(-c4ccccc4)n[nH]3)C2)c(F)c1 ZINC000532615346 886500330 /nfs/dbraw/zinc/50/03/30/886500330.db2.gz JITPHRHIGMVEJQ-GOSISDBHSA-N 1 0 375.451 3.846 20 30 GHEDRO CCN(CC)c1ccnc(N=NC(C)c2ccc(O)c(C[NH+](CC)CC)c2)n1 ZINC000762608057 886528997 /nfs/dbraw/zinc/52/89/97/886528997.db2.gz PISNLDXVWVLSAR-UHFFFAOYSA-N 1 0 384.528 3.706 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CCC(C(F)F)CC3)CC2)cc1 ZINC000459236520 886760063 /nfs/dbraw/zinc/76/00/63/886760063.db2.gz AFYORZDKNNSEIL-UHFFFAOYSA-N 1 0 390.478 3.599 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001127378999 887076630 /nfs/dbraw/zinc/07/66/30/887076630.db2.gz SVBQHILXIOJQNX-SFHVURJKSA-N 1 0 389.434 3.593 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000863390982 887081384 /nfs/dbraw/zinc/08/13/84/887081384.db2.gz NYDSQBXNAPGOFO-DENIHFKCSA-N 1 0 380.488 3.701 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001184313571 913120955 /nfs/dbraw/zinc/12/09/55/913120955.db2.gz QDRMEIYOUSPKPA-HXUWFJFHSA-N 1 0 386.536 3.693 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153659701 887243686 /nfs/dbraw/zinc/24/36/86/887243686.db2.gz RHLDWZFZXJFQQE-IGKWTDBASA-N 1 0 393.531 3.747 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2nnc(-c3ccccc3)o2)c(-c2ccccc2)n1 ZINC000129464350 887303251 /nfs/dbraw/zinc/30/32/51/887303251.db2.gz FRXRPULXXFRRJY-UHFFFAOYSA-N 1 0 398.470 3.846 20 30 GHEDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000564020061 887563722 /nfs/dbraw/zinc/56/37/22/887563722.db2.gz INVOSDGPXJUGGW-UHFFFAOYSA-N 1 0 395.506 3.876 20 30 GHEDRO N#CCOc1ccc(C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000809617541 887589710 /nfs/dbraw/zinc/58/97/10/887589710.db2.gz QRGDKXHJKGEHPY-UHFFFAOYSA-N 1 0 393.487 3.727 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000171740137 887701776 /nfs/dbraw/zinc/70/17/76/887701776.db2.gz IMSZGBIWUDAPAD-UHFFFAOYSA-N 1 0 384.549 3.836 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000032447320 887708287 /nfs/dbraw/zinc/70/82/87/887708287.db2.gz OMCSCSTWLZBYAA-OAQYLSRUSA-N 1 0 394.515 3.827 20 30 GHEDRO CN(CCC#N)c1ccc(CN(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000809737319 887770449 /nfs/dbraw/zinc/77/04/49/887770449.db2.gz FHIWTSHMYNSDHV-UHFFFAOYSA-N 1 0 386.490 3.878 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(c3nccc4sccc43)CC2)cc1 ZINC000809786917 887841015 /nfs/dbraw/zinc/84/10/15/887841015.db2.gz OMFCTVCJPIPKBL-INIZCTEOSA-N 1 0 378.501 3.909 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000864840624 888024792 /nfs/dbraw/zinc/02/47/92/888024792.db2.gz FELXUESOHYQNHV-INIZCTEOSA-N 1 0 381.904 3.723 20 30 GHEDRO Cc1cc(C#N)cnc1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170594628 888072971 /nfs/dbraw/zinc/07/29/71/888072971.db2.gz FHFUXFSJVDHRAG-QHCPKHFHSA-N 1 0 386.499 3.737 20 30 GHEDRO N#Cc1c(F)cncc1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170595297 888090462 /nfs/dbraw/zinc/09/04/62/888090462.db2.gz JPUYMNGKLRMFNP-HXUWFJFHSA-N 1 0 390.462 3.568 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000055216114 888108679 /nfs/dbraw/zinc/10/86/79/888108679.db2.gz FKMYNRSOQBDOTB-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO Cc1ccnc(C#N)c1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170596210 888153270 /nfs/dbraw/zinc/15/32/70/888153270.db2.gz HNIHWFQXQNWSRP-QFIPXVFZSA-N 1 0 386.499 3.737 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454268024 888227626 /nfs/dbraw/zinc/22/76/26/888227626.db2.gz PKJFCMVPYVLBSB-KRWDZBQOSA-N 1 0 394.494 3.929 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000532699119 888309764 /nfs/dbraw/zinc/30/97/64/888309764.db2.gz ALNKTMMTLDGQJM-NNFUDEMPSA-N 1 0 388.943 3.876 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000865511102 888397602 /nfs/dbraw/zinc/39/76/02/888397602.db2.gz UBHMQZNXZDLFQC-UHFFFAOYSA-N 1 0 390.409 3.541 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000865549036 888434145 /nfs/dbraw/zinc/43/41/45/888434145.db2.gz OZIQGZHNLSOXIV-UHFFFAOYSA-N 1 0 380.458 3.519 20 30 GHEDRO CCOc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000122817997 888480086 /nfs/dbraw/zinc/48/00/86/888480086.db2.gz RNJKBDDCNLRWDJ-UHFFFAOYSA-N 1 0 379.504 3.673 20 30 GHEDRO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN(c3ccccc3C#N)CC2)o1 ZINC000865694505 888519566 /nfs/dbraw/zinc/51/95/66/888519566.db2.gz HACIPICHGSREOS-UHFFFAOYSA-N 1 0 375.476 3.619 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3F)cc2)C1 ZINC000609240268 888521558 /nfs/dbraw/zinc/52/15/58/888521558.db2.gz YLOUTRKIJNQBOO-KRWDZBQOSA-N 1 0 394.494 3.929 20 30 GHEDRO CCC[NH+]1CCN(c2ccccc2C=[NH+][N-]c2ncnc3sccc32)CC1 ZINC000915954981 888571790 /nfs/dbraw/zinc/57/17/90/888571790.db2.gz SCDZNNRPYNVSDE-UHFFFAOYSA-N 1 0 380.521 3.669 20 30 GHEDRO COc1cccc(NC(=S)NN=C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000915943403 888583665 /nfs/dbraw/zinc/58/36/65/888583665.db2.gz BGTGURIGPYBBNK-UHFFFAOYSA-N 1 0 382.533 3.676 20 30 GHEDRO COc1ccccc1N1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000194938567 888632547 /nfs/dbraw/zinc/63/25/47/888632547.db2.gz CPNILISOISCWOD-UHFFFAOYSA-N 1 0 378.520 3.804 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC(C)C)nc2)no1 ZINC001211975441 888768666 /nfs/dbraw/zinc/76/86/66/888768666.db2.gz HBWGAHJWCPXMGO-ROUUACIJSA-N 1 0 388.512 3.997 20 30 GHEDRO Cn1cc([C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)c2cccc(F)c2)cn1 ZINC000866448693 888882790 /nfs/dbraw/zinc/88/27/90/888882790.db2.gz JURIBYDAQZWTRV-QHCPKHFHSA-N 1 0 389.478 3.779 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000532827023 889025775 /nfs/dbraw/zinc/02/57/75/889025775.db2.gz FPVDOXKIVKDGSR-LZJOCLMNSA-N 1 0 391.943 3.874 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868029593 889265500 /nfs/dbraw/zinc/26/55/00/889265500.db2.gz NFYKVWTVYQKUKS-GFCCVEGCSA-N 1 0 389.091 3.561 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000868067971 889281524 /nfs/dbraw/zinc/28/15/24/889281524.db2.gz CYYZMZQTMFEFRX-UHFFFAOYSA-N 1 0 394.494 3.546 20 30 GHEDRO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000532933594 889371967 /nfs/dbraw/zinc/37/19/67/889371967.db2.gz PIYBIIISXNLOCP-UHFFFAOYSA-N 1 0 393.487 3.750 20 30 GHEDRO CCCc1c(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000811336743 889460175 /nfs/dbraw/zinc/46/01/75/889460175.db2.gz BUBRNMDQMPCZKM-JOCHJYFZSA-N 1 0 397.498 3.847 20 30 GHEDRO COc1ccc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1C#N ZINC000533079880 889704625 /nfs/dbraw/zinc/70/46/25/889704625.db2.gz IAASKHIQGFVDLQ-MJGOQNOKSA-N 1 0 377.271 3.964 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000533089440 889754917 /nfs/dbraw/zinc/75/49/17/889754917.db2.gz KDGLMHQZUODLFT-PMACEKPBSA-N 1 0 395.547 3.614 20 30 GHEDRO C[C@H](O)C[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000122410175 889757725 /nfs/dbraw/zinc/75/77/25/889757725.db2.gz XBENBIXOKZOGLP-YOEHRIQHSA-N 1 0 395.425 3.544 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@@H]1C(F)(F)F ZINC001168517169 889777427 /nfs/dbraw/zinc/77/74/27/889777427.db2.gz DNXIKFLOXWBCJD-ZQDZILKHSA-N 1 0 375.435 3.989 20 30 GHEDRO COc1cc(NC(=O)Nc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC001184762232 913418052 /nfs/dbraw/zinc/41/80/52/913418052.db2.gz RHEPGTAXGWLNLG-UHFFFAOYSA-N 1 0 380.448 3.685 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 ZINC000287580594 913422638 /nfs/dbraw/zinc/42/26/38/913422638.db2.gz QYZZJJFQNWOTHY-OAHLLOKOSA-N 1 0 375.490 3.514 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1sccc1C#N ZINC000533294505 890181161 /nfs/dbraw/zinc/18/11/61/890181161.db2.gz CIVJUFJLYOCHDB-QGZVFWFLSA-N 1 0 382.533 3.545 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000123140839 890363438 /nfs/dbraw/zinc/36/34/38/890363438.db2.gz SZEILYGCHUFICX-QFIPXVFZSA-N 1 0 377.488 3.650 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3ccnc(C#N)c3)c3nccc2-3)cc1 ZINC001170665263 890408023 /nfs/dbraw/zinc/40/80/23/890408023.db2.gz LOCPTSDSARADBU-CQSZACIVSA-N 1 0 382.427 3.516 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000795129878 890408926 /nfs/dbraw/zinc/40/89/26/890408926.db2.gz AXZGEBUVEMQJQH-HSZRJFAPSA-N 1 0 391.584 3.750 20 30 GHEDRO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000533422287 890463347 /nfs/dbraw/zinc/46/33/47/890463347.db2.gz UJCOOBPRBYFUEP-IBGZPJMESA-N 1 0 376.504 3.714 20 30 GHEDRO C#Cc1cccc(NC(=S)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000795141164 890486333 /nfs/dbraw/zinc/48/63/33/890486333.db2.gz WRODRXTXNRNNIF-QHCPKHFHSA-N 1 0 375.541 3.963 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)nc1Cl ZINC001184818674 913459240 /nfs/dbraw/zinc/45/92/40/913459240.db2.gz YWLXXTFIQQVKDS-UHFFFAOYSA-N 1 0 393.318 3.630 20 30 GHEDRO CCCc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1cccc(C#N)c1 ZINC000455222020 890591087 /nfs/dbraw/zinc/59/10/87/890591087.db2.gz FNGOBRNIDFSTBJ-UHFFFAOYSA-N 1 0 394.523 3.692 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1cc(CC#N)ccn1)[NH+]1CCCCC1 ZINC000871721588 890991272 /nfs/dbraw/zinc/99/12/72/890991272.db2.gz VKDAFGWVEMJRSV-IBGZPJMESA-N 1 0 393.491 3.505 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)ccc1F)CC2 ZINC001275350853 913510732 /nfs/dbraw/zinc/51/07/32/913510732.db2.gz IZWUJIXEWPBSRM-UHFFFAOYSA-N 1 0 377.891 3.987 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813031290 891230005 /nfs/dbraw/zinc/23/00/05/891230005.db2.gz XMYVIPCVLAHPDF-NHCUHLMSSA-N 1 0 395.478 3.645 20 30 GHEDRO C#CC[N@@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@@H]1CCc2ccccc21 ZINC000917117868 891286605 /nfs/dbraw/zinc/28/66/05/891286605.db2.gz SGHKSDMIKNHUOM-JOCHJYFZSA-N 1 0 386.451 3.874 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000747839004 891286885 /nfs/dbraw/zinc/28/68/85/891286885.db2.gz VQSIJRDODVNWAM-UHFFFAOYSA-N 1 0 384.867 3.894 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN(C)[C@@H]2CCC[C@H]2C#N)c1=S ZINC000872682046 891302254 /nfs/dbraw/zinc/30/22/54/891302254.db2.gz LSKDDEKBJQMMFJ-YESZJQIVSA-N 1 0 378.590 3.808 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000170670740 891303469 /nfs/dbraw/zinc/30/34/69/891303469.db2.gz UZSLRTVNUAMIHY-INIZCTEOSA-N 1 0 383.517 3.807 20 30 GHEDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000170670745 891303710 /nfs/dbraw/zinc/30/37/10/891303710.db2.gz HEBQKFUZMVFOQX-INIZCTEOSA-N 1 0 383.517 3.807 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)CC1 ZINC000124295380 891370477 /nfs/dbraw/zinc/37/04/77/891370477.db2.gz KIPWZLNMQINFCD-UHFFFAOYSA-N 1 0 387.527 3.775 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000248896509 891480274 /nfs/dbraw/zinc/48/02/74/891480274.db2.gz ZYRJEPXDFUIBIA-RBUKOAKNSA-N 1 0 399.539 3.882 20 30 GHEDRO CC[N@H+](CC(=O)NCCCOc1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000497599862 891977015 /nfs/dbraw/zinc/97/70/15/891977015.db2.gz MTRDMOULEKDNBG-QGZVFWFLSA-N 1 0 383.467 3.666 20 30 GHEDRO CC[N@H+](CC(=O)NCCCOc1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599561 891978554 /nfs/dbraw/zinc/97/85/54/891978554.db2.gz GSOKTSLMPUQLHB-IBGZPJMESA-N 1 0 379.504 3.835 20 30 GHEDRO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000497612431 892011722 /nfs/dbraw/zinc/01/17/22/892011722.db2.gz RPDZWQBYGMUHET-DLBZAZTESA-N 1 0 395.503 3.836 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1 ZINC000813878868 892060755 /nfs/dbraw/zinc/06/07/55/892060755.db2.gz GNKYBIWTFIPFJQ-XIRDDKMYSA-N 1 0 377.460 3.587 20 30 GHEDRO CC[NH+](CC)[C@H](CNc1cnc(C#N)c(C#N)n1)c1ccc(C(F)(F)F)cc1 ZINC001185046917 913623562 /nfs/dbraw/zinc/62/35/62/913623562.db2.gz XDRBVTKLCDDHMB-QGZVFWFLSA-N 1 0 388.397 3.734 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(CC#N)c1 ZINC000068311813 892182452 /nfs/dbraw/zinc/18/24/52/892182452.db2.gz QLQACCCMKLSICN-UHFFFAOYSA-N 1 0 389.421 3.975 20 30 GHEDRO C#CCN(C(=O)Cc1cccc(OCc2cccc(C)c2)c1)C1CC[NH+](C)CC1 ZINC001134043107 892205740 /nfs/dbraw/zinc/20/57/40/892205740.db2.gz FRKPIDOYADPCGI-UHFFFAOYSA-N 1 0 390.527 3.673 20 30 GHEDRO C#CCN(C(=O)c1sc(-c2ccc(F)c(C)c2)nc1C)C1CC[NH+](C)CC1 ZINC001134043854 892206902 /nfs/dbraw/zinc/20/69/02/892206902.db2.gz NWHXXYWUVAPQNP-UHFFFAOYSA-N 1 0 385.508 3.736 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000729808622 892217338 /nfs/dbraw/zinc/21/73/38/892217338.db2.gz DEWASXUZRFMYRL-FQEVSTJZSA-N 1 0 379.456 3.529 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000729808725 892219902 /nfs/dbraw/zinc/21/99/02/892219902.db2.gz FOVKPJFSUWODSN-SQNIBIBYSA-N 1 0 380.513 3.987 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000814250386 892465422 /nfs/dbraw/zinc/46/54/22/892465422.db2.gz QXCJQDPPHNRMCY-CVEARBPZSA-N 1 0 392.459 3.583 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1cccc(C)c1 ZINC000154531120 892601239 /nfs/dbraw/zinc/60/12/39/892601239.db2.gz LOJZOCXPKGFJLN-HNNXBMFYSA-O 1 0 386.497 3.826 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508700139 892670831 /nfs/dbraw/zinc/67/08/31/892670831.db2.gz ROBTWAOLWFKXLV-FQEVSTJZSA-N 1 0 395.551 3.725 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)C(F)(F)F)c1 ZINC000875756267 892790018 /nfs/dbraw/zinc/79/00/18/892790018.db2.gz OKXAYSVSJCKXAC-GOSISDBHSA-N 1 0 394.441 3.583 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000778165816 893013487 /nfs/dbraw/zinc/01/34/87/893013487.db2.gz RPWKYUDVDZDSPO-UHFFFAOYSA-N 1 0 378.900 3.841 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc2cnccc2o1 ZINC000876294093 893059740 /nfs/dbraw/zinc/05/97/40/893059740.db2.gz FNFXJJDESUNFHF-INIZCTEOSA-N 1 0 391.475 3.534 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000778176780 893084711 /nfs/dbraw/zinc/08/47/11/893084711.db2.gz NFTRVCUPXKBXBH-UHFFFAOYSA-N 1 0 398.934 3.599 20 30 GHEDRO Cc1cc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)nc(-c2ccc(Cl)cc2)n1 ZINC000933648948 893115285 /nfs/dbraw/zinc/11/52/85/893115285.db2.gz ISURWABTQQUUNY-UHFFFAOYSA-N 1 0 383.879 3.943 20 30 GHEDRO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933649289 893115450 /nfs/dbraw/zinc/11/54/50/893115450.db2.gz CKFKCSARQMAGOT-UHFFFAOYSA-N 1 0 376.456 3.777 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(C2CC2)c1 ZINC000933836738 893249537 /nfs/dbraw/zinc/24/95/37/893249537.db2.gz KPJHNQFHXWYZMA-UHFFFAOYSA-N 1 0 375.476 3.617 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)c1 ZINC000876618618 893260615 /nfs/dbraw/zinc/26/06/15/893260615.db2.gz AFQKMXHMKRPNDR-UHFFFAOYSA-N 1 0 391.515 3.563 20 30 GHEDRO Cc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000563045553 893317620 /nfs/dbraw/zinc/31/76/20/893317620.db2.gz XGCYUVPSPSQXFS-XZOQPEGZSA-N 1 0 388.515 3.640 20 30 GHEDRO N#Cc1cnn2c1NC[C@@H](C[NH+]1CCC(c3ccc(Cl)cc3Cl)CC1)C2 ZINC000563150309 893407981 /nfs/dbraw/zinc/40/79/81/893407981.db2.gz MKDTTYKJDBGKND-ZDUSSCGKSA-N 1 0 390.318 3.983 20 30 GHEDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000778226551 893422450 /nfs/dbraw/zinc/42/24/50/893422450.db2.gz YELNEUVKQQURRA-CYBMUJFWSA-N 1 0 381.423 3.506 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536657218 893435859 /nfs/dbraw/zinc/43/58/59/893435859.db2.gz QZBNBRUGMWVPNX-UHFFFAOYSA-N 1 0 375.451 3.699 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000877018339 893436466 /nfs/dbraw/zinc/43/64/66/893436466.db2.gz MQULRXZJXDFJFA-RTXFEEFZSA-N 1 0 386.311 3.702 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)ccc1OC ZINC000877029749 893445996 /nfs/dbraw/zinc/44/59/96/893445996.db2.gz MJOKPWWSRUIURK-PZJWPPBQSA-N 1 0 379.504 3.992 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137115431 893464991 /nfs/dbraw/zinc/46/49/91/893464991.db2.gz NRTVWSXHYJPKDE-QFIPXVFZSA-N 1 0 385.508 3.954 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001137121363 893650000 /nfs/dbraw/zinc/65/00/00/893650000.db2.gz HLECHBROUZNMBE-FGZHOGPDSA-N 1 0 378.472 3.900 20 30 GHEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000934465075 893657278 /nfs/dbraw/zinc/65/72/78/893657278.db2.gz CFFIIMNBMVJXLC-LJQANCHMSA-N 1 0 393.487 3.927 20 30 GHEDRO CC(C)(C)OC(=O)NCCC1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000877613886 893719581 /nfs/dbraw/zinc/71/95/81/893719581.db2.gz CQPXTBWYOZVFFR-UHFFFAOYSA-N 1 0 378.904 3.733 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000563444609 893732519 /nfs/dbraw/zinc/73/25/19/893732519.db2.gz XCYSJBCSXIQQLD-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO Cc1nsc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000459554766 893793762 /nfs/dbraw/zinc/79/37/62/893793762.db2.gz AVLKNOGZROMIDB-UOIKSKOESA-N 1 0 383.521 3.601 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000556123201 893814118 /nfs/dbraw/zinc/81/41/18/893814118.db2.gz MAADPCZZEVDBJI-KPOBHBOGSA-N 1 0 382.895 3.574 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000877943759 893905934 /nfs/dbraw/zinc/90/59/34/893905934.db2.gz QBNOFHKRTDHMBG-FDDCHVKYSA-N 1 0 387.487 3.701 20 30 GHEDRO CCCCCC(=O)NC1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878018416 893950740 /nfs/dbraw/zinc/95/07/40/893950740.db2.gz VXIUZTYSYOHGID-QHCPKHFHSA-N 1 0 383.536 3.588 20 30 GHEDRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000459640617 893957071 /nfs/dbraw/zinc/95/70/71/893957071.db2.gz LRROMFAOJAKCDK-QGZVFWFLSA-N 1 0 384.911 3.983 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC000826014098 893971886 /nfs/dbraw/zinc/97/18/86/893971886.db2.gz VKCITHVPSLFSHV-UHFFFAOYSA-N 1 0 391.334 3.881 20 30 GHEDRO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000878047395 893979320 /nfs/dbraw/zinc/97/93/20/893979320.db2.gz FEQFMWAHMIPMGV-XMMPIXPASA-N 1 0 391.515 3.651 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000459657683 893998818 /nfs/dbraw/zinc/99/88/18/893998818.db2.gz IHSXAQZWCDKHMD-GOSISDBHSA-N 1 0 394.313 3.573 20 30 GHEDRO FC(F)(F)[C@H]1CC[N@H+](CCOCC(F)(F)C(F)(F)F)CC12CCOCC2 ZINC000459662072 894013463 /nfs/dbraw/zinc/01/34/63/894013463.db2.gz MZMKMOKRJAYKHQ-NSHDSACASA-N 1 0 399.322 3.882 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000815660423 894074076 /nfs/dbraw/zinc/07/40/76/894074076.db2.gz ZAQCOXUPCKOABC-INIZCTEOSA-N 1 0 391.920 3.867 20 30 GHEDRO CCC[C@]1(CO)CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000288671636 913835885 /nfs/dbraw/zinc/83/58/85/913835885.db2.gz CFFSQCFYZGRBEU-JXFKEZNVSA-N 1 0 375.538 3.504 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000459722401 894106470 /nfs/dbraw/zinc/10/64/70/894106470.db2.gz WREVNUOPMGPUPS-HIFRSBDPSA-N 1 0 396.329 3.960 20 30 GHEDRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC(C)(C)CC#N ZINC000459727371 894115242 /nfs/dbraw/zinc/11/52/42/894115242.db2.gz GINDIUKZQVCPFK-UHFFFAOYSA-N 1 0 397.313 3.729 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 ZINC000878255756 894132837 /nfs/dbraw/zinc/13/28/37/894132837.db2.gz SKSWFUJIAXEFLL-KPDCDPCYSA-N 1 0 399.535 3.662 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21)c1ccccc1 ZINC000878304765 894180452 /nfs/dbraw/zinc/18/04/52/894180452.db2.gz PZOPPUDSHBBURA-QPPBQGQZSA-N 1 0 386.499 3.941 20 30 GHEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000537021646 894227543 /nfs/dbraw/zinc/22/75/43/894227543.db2.gz GXEKVIMNNYQGGT-HNNXBMFYSA-N 1 0 391.309 3.697 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022687754 894277999 /nfs/dbraw/zinc/27/79/99/894277999.db2.gz BFCVIDPSOLVEST-UHFFFAOYSA-O 1 0 395.548 3.966 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1CCC(O)(c2c(F)cccc2F)CC1)c1ccccc1 ZINC000878460994 894308384 /nfs/dbraw/zinc/30/83/84/894308384.db2.gz DHLXHPHUAXTEGD-JOCHJYFZSA-N 1 0 398.453 3.689 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccccc1CC ZINC000022797726 894408554 /nfs/dbraw/zinc/40/85/54/894408554.db2.gz XHTHEIFYSZRCGI-UHFFFAOYSA-O 1 0 375.464 3.919 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000888776679 895114181 /nfs/dbraw/zinc/11/41/81/895114181.db2.gz DESBFTUHABSZDX-WBVHZDCISA-N 1 0 386.565 3.732 20 30 GHEDRO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000879697870 895239183 /nfs/dbraw/zinc/23/91/83/895239183.db2.gz MECNUQWURRZEGV-OAHLLOKOSA-N 1 0 377.554 3.939 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000879712950 895251922 /nfs/dbraw/zinc/25/19/22/895251922.db2.gz MUJIECJIBPQPKU-RYUDHWBXSA-N 1 0 380.473 3.927 20 30 GHEDRO N#CC1(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC2(CC2)C1 ZINC001135823275 895348572 /nfs/dbraw/zinc/34/85/72/895348572.db2.gz WNBYISJTOQDZKE-UHFFFAOYSA-N 1 0 391.437 3.824 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000879950022 895420861 /nfs/dbraw/zinc/42/08/61/895420861.db2.gz CMVKFWFUKBJEFH-QGZVFWFLSA-N 1 0 396.560 3.813 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c(C#N)c1C ZINC000880101368 895514032 /nfs/dbraw/zinc/51/40/32/895514032.db2.gz GNYXFCKENVOGDO-QWRGUYRKSA-N 1 0 380.370 3.860 20 30 GHEDRO C#CCC1(O)CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000880480124 895724822 /nfs/dbraw/zinc/72/48/22/895724822.db2.gz KKOJNAWEKOXLND-GOSISDBHSA-N 1 0 395.330 3.507 20 30 GHEDRO N#CC(CC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000880583574 895757039 /nfs/dbraw/zinc/75/70/39/895757039.db2.gz ZHXDOBHAADDMFN-QHCPKHFHSA-N 1 0 390.527 3.750 20 30 GHEDRO Cn1ncc(C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)c1C#N ZINC000566134134 896131491 /nfs/dbraw/zinc/13/14/91/896131491.db2.gz QHJCGRPHFQZSAP-UHFFFAOYSA-N 1 0 399.498 3.924 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2Br)CC1 ZINC000566147982 896144479 /nfs/dbraw/zinc/14/44/79/896144479.db2.gz MFQCKVLXMYFPKS-UHFFFAOYSA-N 1 0 386.721 3.552 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ccc1C1CC1 ZINC000881124990 896167733 /nfs/dbraw/zinc/16/77/33/896167733.db2.gz HXTIVUAFKZRHKA-UHFFFAOYSA-N 1 0 382.508 3.544 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000566219063 896181322 /nfs/dbraw/zinc/18/13/22/896181322.db2.gz GYCJUNYKVSAZTD-INIZCTEOSA-N 1 0 385.478 3.517 20 30 GHEDRO CCN(C(=O)Nc1cccc(CC#N)n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000881150315 896200648 /nfs/dbraw/zinc/20/06/48/896200648.db2.gz NSNHYQRONUPJHI-XLIONFOSSA-N 1 0 377.492 3.837 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000818589139 896214647 /nfs/dbraw/zinc/21/46/47/896214647.db2.gz SCMAORJDUIJWMD-UHFFFAOYSA-N 1 0 378.444 3.701 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001136164348 896242658 /nfs/dbraw/zinc/24/26/58/896242658.db2.gz QQAHSRDEIMRWQR-UHFFFAOYSA-N 1 0 377.488 3.729 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)CC1 ZINC000566399208 896289682 /nfs/dbraw/zinc/28/96/82/896289682.db2.gz NDCQRADOMCGWGC-UHFFFAOYSA-N 1 0 387.487 3.957 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000566422730 896302784 /nfs/dbraw/zinc/30/27/84/896302784.db2.gz CHVXOPMYUZYNDP-HXOBKFHXSA-N 1 0 378.520 3.857 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000819183903 896452606 /nfs/dbraw/zinc/45/26/06/896452606.db2.gz UBXRARUEXVBTGX-JJEOQYAHSA-N 1 0 380.488 3.507 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819250137 896491399 /nfs/dbraw/zinc/49/13/99/896491399.db2.gz BDQJVLRAHRFVGQ-LADRWXRNSA-N 1 0 389.858 3.759 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000566724300 896525589 /nfs/dbraw/zinc/52/55/89/896525589.db2.gz LHWQZDOKIUISER-UHFFFAOYSA-N 1 0 381.501 3.512 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000566888187 896667586 /nfs/dbraw/zinc/66/75/86/896667586.db2.gz YHANQIBOPNKHSX-CTNGQTDRSA-N 1 0 376.460 3.957 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1c(C)cccc1C#N ZINC001185794767 914089143 /nfs/dbraw/zinc/08/91/43/914089143.db2.gz PDFDPHPXRCXJLW-UHFFFAOYSA-N 1 0 391.581 3.967 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)[C@@H](c2cnn(C)c2)C1 ZINC000882309171 896752301 /nfs/dbraw/zinc/75/23/01/896752301.db2.gz SCHHLMHAACBGIC-FGZHOGPDSA-N 1 0 391.519 3.622 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)n2c1 ZINC000567026762 896810881 /nfs/dbraw/zinc/81/08/81/896810881.db2.gz RQJWQOPERIILMB-KRWDZBQOSA-N 1 0 375.259 3.726 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC2CCC([NH+](C)C)CC2)s1 ZINC000819576574 896819670 /nfs/dbraw/zinc/81/96/70/896819670.db2.gz SFLFHYTWVYRYOH-UHFFFAOYSA-N 1 0 388.002 3.828 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000819560397 896848247 /nfs/dbraw/zinc/84/82/47/896848247.db2.gz SRNTVTOTIUXCHC-CQSZACIVSA-N 1 0 388.002 3.780 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(C4OCCO4)CC3)c2)c1 ZINC000130106330 896981148 /nfs/dbraw/zinc/98/11/48/896981148.db2.gz PFVWQNVMOSOMCN-UHFFFAOYSA-N 1 0 378.472 3.722 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000820114482 897168131 /nfs/dbraw/zinc/16/81/31/897168131.db2.gz PTYDKHIQWRPHIJ-KRWDZBQOSA-N 1 0 380.319 3.567 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@H]1CCOC1 ZINC000883234699 897393569 /nfs/dbraw/zinc/39/35/69/897393569.db2.gz KPLPKNXUKPFGHK-OKZBNKHCSA-N 1 0 384.586 3.547 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCCCC2)[C@H]([C@H]2CCOC2)C1 ZINC000883235901 897393906 /nfs/dbraw/zinc/39/39/06/897393906.db2.gz NGIATPLXJLNKLQ-FHWLQOOXSA-N 1 0 391.556 3.712 20 30 GHEDRO C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000568518408 897905148 /nfs/dbraw/zinc/90/51/48/897905148.db2.gz BYAAKFILSGHLCK-DYESRHJHSA-N 1 0 378.476 3.951 20 30 GHEDRO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)nc[nH]c3=O)C2 ZINC001110104383 898034347 /nfs/dbraw/zinc/03/43/47/898034347.db2.gz SDXHVFREXFYNEK-UXPWSPDFSA-N 1 0 382.508 3.641 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000106037576 898247122 /nfs/dbraw/zinc/24/71/22/898247122.db2.gz KRQDVNACFPBFFE-UHFFFAOYSA-N 1 0 396.535 3.949 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(NC(=O)CC)ccc2Cl)CC1 ZINC000106321227 898265362 /nfs/dbraw/zinc/26/53/62/898265362.db2.gz XYUPVPRUBHFFFE-UHFFFAOYSA-N 1 0 378.904 3.851 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000805785395 898297147 /nfs/dbraw/zinc/29/71/47/898297147.db2.gz DZQONNPJHSPBOG-QHCPKHFHSA-N 1 0 377.532 3.914 20 30 GHEDRO CCOc1ccc(Oc2ccccc2NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884051927 898666340 /nfs/dbraw/zinc/66/63/40/898666340.db2.gz YPFFYJYYZLDCDL-WCCYLALTSA-N 1 0 391.471 3.955 20 30 GHEDRO Cc1ccc(CN(CCc2ccccc2)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)s1 ZINC000884058972 898717364 /nfs/dbraw/zinc/71/73/64/898717364.db2.gz AXHSQTCETDYZEQ-LRZVDXDASA-N 1 0 393.556 3.767 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)C(C)C ZINC000043573540 898727089 /nfs/dbraw/zinc/72/70/89/898727089.db2.gz IOJMHEUCRCORNW-HXUWFJFHSA-N 1 0 384.524 3.634 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cc(Cl)cc2c1OCC2)C(C)C ZINC001136650195 898757196 /nfs/dbraw/zinc/75/71/96/898757196.db2.gz SFJCESNGNIHHDF-LJQANCHMSA-N 1 0 376.928 3.632 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)CC1 ZINC001136670058 898843227 /nfs/dbraw/zinc/84/32/27/898843227.db2.gz YKPAARROBXHUJR-UHFFFAOYSA-N 1 0 378.557 3.537 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C2 ZINC000884110357 898913087 /nfs/dbraw/zinc/91/30/87/898913087.db2.gz HKQVISSHRMVUSF-ABFPKRMYSA-N 1 0 395.453 3.504 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C2 ZINC000884110360 898913261 /nfs/dbraw/zinc/91/32/61/898913261.db2.gz HKQVISSHRMVUSF-OJVVUCGNSA-N 1 0 395.453 3.504 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000569783412 898950998 /nfs/dbraw/zinc/95/09/98/898950998.db2.gz RQRDAGRLAMKUGI-TZIWHRDSSA-N 1 0 390.535 3.851 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OC(F)(F)F ZINC000331526182 898958867 /nfs/dbraw/zinc/95/88/67/898958867.db2.gz FYADFIIBOBSIBZ-AWEZNQCLSA-N 1 0 396.413 3.797 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3nc(-c4ccc(F)cc4)oc3c1)C2 ZINC000884131951 899017740 /nfs/dbraw/zinc/01/77/40/899017740.db2.gz BAHVPUYKDZCKCD-HVPFBLEYSA-N 1 0 390.418 3.712 20 30 GHEDRO C[C@H](Oc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1 ZINC000884144799 899073484 /nfs/dbraw/zinc/07/34/84/899073484.db2.gz UFQHOJJUOSNNIP-FHNOQDHRSA-N 1 0 375.472 3.904 20 30 GHEDRO C#Cc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000043983861 899075431 /nfs/dbraw/zinc/07/54/31/899075431.db2.gz PTIYJLURJDYNQQ-QZTJIDSGSA-N 1 0 377.488 3.599 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H](C)C[N@@H+](CC)CCC)cnn1-c1cccc(C#N)c1 ZINC000570103181 899127721 /nfs/dbraw/zinc/12/77/21/899127721.db2.gz RXIGZPAKXURNRS-KRWDZBQOSA-N 1 0 396.539 3.938 20 30 GHEDRO C[C@H]1CC2(C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642643 899154160 /nfs/dbraw/zinc/15/41/60/899154160.db2.gz HXAYRPBTBJRNOJ-FXAWDEMLSA-N 1 0 399.535 3.703 20 30 GHEDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000332509339 899720997 /nfs/dbraw/zinc/72/09/97/899720997.db2.gz CTXIYZMXRXSWNM-RXVVDRJESA-N 1 0 397.544 3.540 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884304790 899735673 /nfs/dbraw/zinc/73/56/73/899735673.db2.gz AVKAWHWBMWQQDZ-QDIYPOJTSA-N 1 0 389.499 3.621 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1Nc1c(F)cccc1F)C2 ZINC000884325214 899800490 /nfs/dbraw/zinc/80/04/90/899800490.db2.gz LKFVLXGYRZOMAW-GJGORFQUSA-N 1 0 382.414 3.786 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000120500633 899829207 /nfs/dbraw/zinc/82/92/07/899829207.db2.gz ZBQYIQXRPUUGAP-KRWDZBQOSA-N 1 0 387.549 3.912 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)C2 ZINC000884428100 900074313 /nfs/dbraw/zinc/07/43/13/900074313.db2.gz RXHMYDJEBQDXEA-OHTSDLOESA-N 1 0 391.437 3.583 20 30 GHEDRO C[C@H](CCNC(=O)Nc1ccc(F)cc1OCC#N)[N@H+](C)Cc1ccccc1 ZINC000135271741 900211983 /nfs/dbraw/zinc/21/19/83/900211983.db2.gz YFSFQAZNCKWFMI-MRXNPFEDSA-N 1 0 384.455 3.760 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000135318892 900221473 /nfs/dbraw/zinc/22/14/73/900221473.db2.gz KSIBGGRVNIGWQP-UHFFFAOYSA-N 1 0 376.476 3.608 20 30 GHEDRO C=CC[C@@]1(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000843842819 900241676 /nfs/dbraw/zinc/24/16/76/900241676.db2.gz VEJVPMBRMUDLJF-JTSKRJEESA-N 1 0 393.572 3.521 20 30 GHEDRO CCN(CC)C(=O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000157156551 900301790 /nfs/dbraw/zinc/30/17/90/900301790.db2.gz UIQGSZKXLGGNRC-UHFFFAOYSA-N 1 0 382.426 3.517 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)CC2 ZINC000573847583 900664103 /nfs/dbraw/zinc/66/41/03/900664103.db2.gz IALFYRAAZNGUTI-OXQOHEQNSA-N 1 0 385.305 3.749 20 30 GHEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(F)c1OC ZINC000886054843 900694730 /nfs/dbraw/zinc/69/47/30/900694730.db2.gz MZVUKEBMZQYJDC-UHFFFAOYSA-N 1 0 385.439 3.589 20 30 GHEDRO C[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371314 900736842 /nfs/dbraw/zinc/73/68/42/900736842.db2.gz MIFJFHLIJLOZOY-PXNSSMCTSA-N 1 0 387.524 3.561 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000844360442 900769004 /nfs/dbraw/zinc/76/90/04/900769004.db2.gz PQXSUTILJAOWPG-AVRDEDQJSA-N 1 0 385.508 3.716 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844376402 900805999 /nfs/dbraw/zinc/80/59/99/900805999.db2.gz UATLNCNIANIMGC-NRFANRHFSA-N 1 0 383.879 3.524 20 30 GHEDRO C=CCC1(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCCC1 ZINC000574377730 900871738 /nfs/dbraw/zinc/87/17/38/900871738.db2.gz GWVWAOZFSDOSJB-OAQYLSRUSA-N 1 0 384.568 3.553 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C(C)=O)c1ccccc1 ZINC000574429278 900887942 /nfs/dbraw/zinc/88/79/42/900887942.db2.gz BFOWLXMJMNSVCZ-HXUWFJFHSA-N 1 0 384.549 3.915 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CCC1 ZINC000886218190 900892112 /nfs/dbraw/zinc/89/21/12/900892112.db2.gz PNQLIUNUQBIXQU-QGZVFWFLSA-N 1 0 380.891 3.605 20 30 GHEDRO CSc1ccc(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)cc1C#N ZINC000886277193 900912971 /nfs/dbraw/zinc/91/29/71/900912971.db2.gz JZFLRBHVQGMPCM-AWEZNQCLSA-N 1 0 385.480 3.918 20 30 GHEDRO N#Cc1cncc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)c1 ZINC001144075158 901039369 /nfs/dbraw/zinc/03/93/69/901039369.db2.gz KRMBZGHWBVELOY-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO CCOC(=O)C1CCN(c2ccccc2C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001144099754 901063936 /nfs/dbraw/zinc/06/39/36/901063936.db2.gz QYSLLEPZYYFTFK-ZNDPDKIASA-N 1 0 381.520 3.733 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)c1ccsc1 ZINC000069271608 901109450 /nfs/dbraw/zinc/10/94/50/901109450.db2.gz OUNQYUVQYQWQHR-IBGZPJMESA-N 1 0 386.521 3.533 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1 ZINC000575784317 901296488 /nfs/dbraw/zinc/29/64/88/901296488.db2.gz RNNOTGTXSIRTSJ-UHFFFAOYSA-N 1 0 397.906 3.712 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1 ZINC000887125967 901447678 /nfs/dbraw/zinc/44/76/78/901447678.db2.gz QWHDJOAKZMDQTJ-QFIPXVFZSA-N 1 0 396.918 3.708 20 30 GHEDRO N#Cc1cccc(OCC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)c1 ZINC000844887997 901466988 /nfs/dbraw/zinc/46/69/88/901466988.db2.gz AYQKTAZFWYWIOH-UHFFFAOYSA-N 1 0 381.501 3.764 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3csc(-c4ccccn4)n3)CC2)nc1 ZINC000092854203 901516557 /nfs/dbraw/zinc/51/65/57/901516557.db2.gz BTXITHBXFOECOS-UHFFFAOYSA-N 1 0 391.500 3.952 20 30 GHEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092854323 901517614 /nfs/dbraw/zinc/51/76/14/901517614.db2.gz FGNCXPJGXSBMBQ-PBPGXSGUSA-N 1 0 378.476 3.650 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000576225023 901837882 /nfs/dbraw/zinc/83/78/82/901837882.db2.gz QHQBHWHMZVBPIB-UHFFFAOYSA-N 1 0 392.809 3.938 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1NC(C)=O ZINC000576268940 901898003 /nfs/dbraw/zinc/89/80/03/901898003.db2.gz NIAMUGVDHQEEHL-UHFFFAOYSA-N 1 0 377.366 3.834 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1snc(Cl)c1Cl ZINC000845223882 901923474 /nfs/dbraw/zinc/92/34/74/901923474.db2.gz IHYPLYLXCLREGR-UHFFFAOYSA-N 1 0 383.304 3.526 20 30 GHEDRO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(C#N)c1C ZINC000333383430 902052786 /nfs/dbraw/zinc/05/27/86/902052786.db2.gz BFXLABRFMAQRNX-NXHRZFHOSA-N 1 0 375.538 3.581 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCc3c(Cl)nc(C)nc3Cl)CC2)C1=O ZINC001275532537 914594252 /nfs/dbraw/zinc/59/42/52/914594252.db2.gz MVLMDYPHQJWMSM-LJQANCHMSA-N 1 0 397.350 3.525 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001171178933 902122566 /nfs/dbraw/zinc/12/25/66/902122566.db2.gz MBEDPEUPPJPBMM-FXAWDEMLSA-N 1 0 399.535 3.637 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC3CCN(c4ccc(C#N)cc4)CC3)c2)CC1 ZINC000576672333 902177640 /nfs/dbraw/zinc/17/76/40/902177640.db2.gz SFEIJYASOUKZRJ-UHFFFAOYSA-N 1 0 389.547 3.781 20 30 GHEDRO [NH2+]=C(Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2)c1ccc2cc(O)ccc2c1 ZINC001171186989 902203933 /nfs/dbraw/zinc/20/39/33/902203933.db2.gz YCBZFSBBHNSMIP-UHFFFAOYSA-N 1 0 387.439 3.583 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CCCn2cc(Br)cn2)ccc1OC ZINC000576737338 902225793 /nfs/dbraw/zinc/22/57/93/902225793.db2.gz YOCIQCZELUSQRK-UHFFFAOYSA-N 1 0 394.313 3.789 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001171190360 902253083 /nfs/dbraw/zinc/25/30/83/902253083.db2.gz SNYFTOOOEHUCDV-LLBVYWAGSA-N 1 0 399.535 3.637 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001186528721 914620615 /nfs/dbraw/zinc/62/06/15/914620615.db2.gz UOYYDPNVDRPORA-MRXNPFEDSA-N 1 0 393.384 3.547 20 30 GHEDRO N#C[C@@H]1N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CCC[C@@]12CCCCO2 ZINC000334117011 902565619 /nfs/dbraw/zinc/56/56/19/902565619.db2.gz HYQREFAXICJJSN-GMAHTHKFSA-N 1 0 381.520 3.740 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)cc1 ZINC000846001251 902582879 /nfs/dbraw/zinc/58/28/79/902582879.db2.gz ZTHPXSGAAGPROS-FKBYEOEOSA-N 1 0 398.547 3.952 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)CC1 ZINC000646539755 914644392 /nfs/dbraw/zinc/64/43/92/914644392.db2.gz JSOUYZLUIQUDGK-KRWDZBQOSA-N 1 0 398.404 3.860 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc3c2OCCCO3)cc1OCCCC#N ZINC000128509659 902678436 /nfs/dbraw/zinc/67/84/36/902678436.db2.gz NCZVQCHHPICQCA-UHFFFAOYSA-N 1 0 382.460 3.829 20 30 GHEDRO N#Cc1ccc(CN(C(=O)/C=C/C(=O)c2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001144714858 902695450 /nfs/dbraw/zinc/69/54/50/902695450.db2.gz QNDIBQKMCWZSDX-OADYCUEDSA-N 1 0 387.483 3.596 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001171212235 902696917 /nfs/dbraw/zinc/69/69/17/902696917.db2.gz KYQJVQXTXHSRRX-IBGZPJMESA-N 1 0 379.548 3.994 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001171212847 902704836 /nfs/dbraw/zinc/70/48/36/902704836.db2.gz QTEDSGOKVXQFOI-LJQANCHMSA-N 1 0 375.520 3.662 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c(-c2ccncc2)n1 ZINC000846105296 902719234 /nfs/dbraw/zinc/71/92/34/902719234.db2.gz QVCQRSSEGXDSFU-MRXNPFEDSA-N 1 0 378.307 3.922 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001171215779 902751141 /nfs/dbraw/zinc/75/11/41/902751141.db2.gz DPCGVWJOHLSLFS-LAUBAEHRSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001171218267 902776430 /nfs/dbraw/zinc/77/64/30/902776430.db2.gz UCBGFKYNBVHCPW-SFHVURJKSA-N 1 0 387.487 3.566 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001171219197 902794232 /nfs/dbraw/zinc/79/42/32/902794232.db2.gz ZZLIMIASAXKRLQ-LJQANCHMSA-N 1 0 388.515 3.513 20 30 GHEDRO CCOc1cc(C[NH2+]CCCCC#N)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000264055856 902812271 /nfs/dbraw/zinc/81/22/71/902812271.db2.gz NXGZJLIBKOCQJX-UHFFFAOYSA-N 1 0 389.540 3.893 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001171218756 902822139 /nfs/dbraw/zinc/82/21/39/902822139.db2.gz WRWYYGRAZNBDKB-NGYIFUPDSA-N 1 0 391.515 3.834 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000600713534 902835810 /nfs/dbraw/zinc/83/58/10/902835810.db2.gz BQCHJDTXUVPOFR-OAQYLSRUSA-N 1 0 390.462 3.823 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230165 903044796 /nfs/dbraw/zinc/04/47/96/903044796.db2.gz BGFWVCZCPZEWMR-JPYJTQIMSA-N 1 0 391.515 3.782 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cc1Cl ZINC000577715932 903096648 /nfs/dbraw/zinc/09/66/48/903096648.db2.gz DHPPSYYEIRNPCY-UHFFFAOYSA-N 1 0 395.956 3.631 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc(OC)c1OC ZINC000772946414 903123332 /nfs/dbraw/zinc/12/33/32/903123332.db2.gz MUZQTBBFVGTRKW-PGRDOPGGSA-N 1 0 395.547 3.828 20 30 GHEDRO C=CCC1(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)CCOCC1 ZINC000887611065 903129032 /nfs/dbraw/zinc/12/90/32/903129032.db2.gz QEQMINGXEAZAHZ-UHFFFAOYSA-N 1 0 382.548 3.973 20 30 GHEDRO C=CCCn1cc(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)nn1 ZINC000846781291 903197972 /nfs/dbraw/zinc/19/79/72/903197972.db2.gz VPJNUFNRGKBYBB-GOSISDBHSA-N 1 0 375.314 3.824 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(OC)cc2)cc1 ZINC000772954214 903231462 /nfs/dbraw/zinc/23/14/62/903231462.db2.gz XKJIWLCAAXUCBT-INIZCTEOSA-N 1 0 388.895 3.907 20 30 GHEDRO C[C@@H](NCc1cn(C[C@H]2CCOC2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000601114303 903348150 /nfs/dbraw/zinc/34/81/50/903348150.db2.gz WUHUEGBPGRUJLR-IEBWSBKVSA-N 1 0 387.487 3.704 20 30 GHEDRO CC(C)n1c(Sc2ncc(C#N)c3ccsc32)nnc1[C@H]1CCC[NH2+]C1 ZINC000601118650 903354619 /nfs/dbraw/zinc/35/46/19/903354619.db2.gz OVOYGOZKHDXWHI-LBPRGKRZSA-N 1 0 384.534 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](CCCOc1ccc(C#N)cc1)CC2 ZINC000847007783 903390427 /nfs/dbraw/zinc/39/04/27/903390427.db2.gz BPZRZEYFQGKUKZ-UHFFFAOYSA-N 1 0 385.508 3.660 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccsc1 ZINC000601186401 903442271 /nfs/dbraw/zinc/44/22/71/903442271.db2.gz NYADBEVBHQHZBV-OAQYLSRUSA-N 1 0 390.512 3.967 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000578032590 903459212 /nfs/dbraw/zinc/45/92/12/903459212.db2.gz ITJKFSBHEWPDFY-UHFFFAOYSA-N 1 0 384.549 3.670 20 30 GHEDRO Cc1coc(Nc2cc[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C#N ZINC001212836033 903468386 /nfs/dbraw/zinc/46/83/86/903468386.db2.gz NINUIOXLGJINRE-UHFFFAOYSA-N 1 0 383.452 3.655 20 30 GHEDRO N#CC1(Nc2cc(F)cc(N3CCOCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171276580 903519412 /nfs/dbraw/zinc/51/94/12/903519412.db2.gz BUNBVYQNPYHHHH-UHFFFAOYSA-N 1 0 394.494 3.633 20 30 GHEDRO Cc1c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171277221 903527808 /nfs/dbraw/zinc/52/78/08/903527808.db2.gz OAIIDGGPFLSCIQ-UHFFFAOYSA-N 1 0 395.419 3.782 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000578187466 903598198 /nfs/dbraw/zinc/59/81/98/903598198.db2.gz CUBDIXVGSFBBOW-HXUWFJFHSA-N 1 0 384.476 3.697 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)ccc1OC ZINC000772979810 903736956 /nfs/dbraw/zinc/73/69/56/903736956.db2.gz NHLPBCNQPQAUAX-XLIONFOSSA-N 1 0 395.503 3.907 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000136486316 903786867 /nfs/dbraw/zinc/78/68/67/903786867.db2.gz FCDYQOKRKDNFHQ-QGZVFWFLSA-O 1 0 397.564 3.837 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C2)C1=O ZINC001171312184 903835085 /nfs/dbraw/zinc/83/50/85/903835085.db2.gz QUEARKLAIVRBSO-ZHRRBRCNSA-N 1 0 388.939 3.706 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCC4(CC3)OCCO4)c2)c1 ZINC000048715634 904060911 /nfs/dbraw/zinc/06/09/11/904060911.db2.gz GGCNWHDCBWBRNY-UHFFFAOYSA-N 1 0 378.472 3.913 20 30 GHEDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000578802101 904132136 /nfs/dbraw/zinc/13/21/36/904132136.db2.gz MBYRCBVRSBNZOS-FDDCHVKYSA-N 1 0 391.515 3.537 20 30 GHEDRO C[C@H](C#N)c1cccc(C(=O)NCCCP(CCC[NH3+])c2ccccc2)c1 ZINC001148629162 904146314 /nfs/dbraw/zinc/14/63/14/904146314.db2.gz NBQLRJXKIUDSDF-XZATXCMXSA-N 1 0 381.460 3.590 20 30 GHEDRO CC(C)(CCC#N)c1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1 ZINC001148906739 904244667 /nfs/dbraw/zinc/24/46/67/904244667.db2.gz YLRFRVCQJGLFBW-UHFFFAOYSA-N 1 0 390.531 3.663 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+]CC2CCC(C#N)CC2)c(OC)cc1Cl ZINC000579228634 904442790 /nfs/dbraw/zinc/44/27/90/904442790.db2.gz WFFMWKYNFANPKB-UHFFFAOYSA-N 1 0 379.888 3.605 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000579256540 904459080 /nfs/dbraw/zinc/45/90/80/904459080.db2.gz WJGVOQVAJWQWIP-HXUWFJFHSA-N 1 0 381.568 3.922 20 30 GHEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000579345208 904531543 /nfs/dbraw/zinc/53/15/43/904531543.db2.gz SJAQYJGRQOSQFR-DLVCFXQMSA-N 1 0 388.895 3.512 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c(C(F)(F)F)c1 ZINC000579412627 904577753 /nfs/dbraw/zinc/57/77/53/904577753.db2.gz XNXWTXOLCKTERA-FQEVSTJZSA-N 1 0 389.421 3.740 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCc4cc(F)c(F)cc4C3)CC2)c1 ZINC001171464510 904724102 /nfs/dbraw/zinc/72/41/02/904724102.db2.gz AUAXUQBPLWCWFH-NRFANRHFSA-N 1 0 381.470 3.948 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171536019 904761821 /nfs/dbraw/zinc/76/18/21/904761821.db2.gz QCUMWJXXKSZRSX-OAHLLOKOSA-N 1 0 378.438 3.604 20 30 GHEDRO COC(=O)C1(Nc2cc(F)cc(CC#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171511479 904788849 /nfs/dbraw/zinc/78/88/49/904788849.db2.gz SLSFYGWHBXURDG-UHFFFAOYSA-N 1 0 381.451 3.511 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000188050174 904864277 /nfs/dbraw/zinc/86/42/77/904864277.db2.gz LVDKWQDHXHDTAU-KRWDZBQOSA-N 1 0 383.517 3.794 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000779167759 905099964 /nfs/dbraw/zinc/09/99/64/905099964.db2.gz GGWFUIWJNFLEPD-UHFFFAOYSA-N 1 0 384.907 3.921 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)C2 ZINC001171952233 905158788 /nfs/dbraw/zinc/15/87/88/905158788.db2.gz SYKFRARSXNFTCX-YOMNLENKSA-N 1 0 379.541 3.572 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCC(C)(C(=O)OCC)CC1)CCO2 ZINC001171953448 905158910 /nfs/dbraw/zinc/15/89/10/905158910.db2.gz NUZMUTOPFBYGEY-PZKJRENSSA-N 1 0 379.541 3.572 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1cccc(C#N)c1)C2 ZINC001172090256 905308144 /nfs/dbraw/zinc/30/81/44/905308144.db2.gz UNCPGYAYXDIVGE-LDLYASANSA-N 1 0 385.508 3.847 20 30 GHEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C1C[C@@H]2COC[C@H](C1)N2C ZINC001172140388 905347671 /nfs/dbraw/zinc/34/76/71/905347671.db2.gz HOGWXQIVFMPPMV-AIRYKSJBSA-N 1 0 375.516 3.983 20 30 GHEDRO N#CC1(c2ccc(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2)CC1 ZINC000365759338 921139369 /nfs/dbraw/zinc/13/93/69/921139369.db2.gz JPLMAEWKTXSKAB-YADHBBJMSA-N 1 0 385.511 3.836 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001172301367 905455261 /nfs/dbraw/zinc/45/52/61/905455261.db2.gz NIIZIRFZFWZSIS-MONBJTKQSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001172303610 905456470 /nfs/dbraw/zinc/45/64/70/905456470.db2.gz FGJQEJUGFQVUMB-NTKDMRAZSA-N 1 0 388.515 3.541 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001172305766 905458984 /nfs/dbraw/zinc/45/89/84/905458984.db2.gz FZQYBBZYBWJMOE-LAUBAEHRSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001172305213 905459099 /nfs/dbraw/zinc/45/90/99/905459099.db2.gz QYPUQUXCWOGLNA-HOYKHHGWSA-N 1 0 391.490 3.753 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)N(c1cc(C(F)(F)F)ncn1)C1CC[NH2+]CC1 ZINC001172312011 905469516 /nfs/dbraw/zinc/46/95/16/905469516.db2.gz DKSCHJMFVOETJG-AWEZNQCLSA-N 1 0 389.425 3.557 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 ZINC001172290098 905480425 /nfs/dbraw/zinc/48/04/25/905480425.db2.gz MESBYVXSVOTYII-IERDGZPVSA-N 1 0 375.488 3.818 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC001172299599 905483803 /nfs/dbraw/zinc/48/38/03/905483803.db2.gz MCLRCIUDIOSZIV-HTAPYJJXSA-N 1 0 383.923 3.806 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)CCO[C@H](C)CC)CC2 ZINC001172331770 905497176 /nfs/dbraw/zinc/49/71/76/905497176.db2.gz RLJDXLZWLOFSJT-ZWKOTPCHSA-N 1 0 375.557 3.948 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCOC[C@@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001172354723 905524087 /nfs/dbraw/zinc/52/40/87/905524087.db2.gz KLDUDALEKKCHPG-IRLDBZIGSA-N 1 0 382.589 3.711 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001172354527 905524130 /nfs/dbraw/zinc/52/41/30/905524130.db2.gz IYFAMFQABBMHOE-XJUOHMSHSA-N 1 0 394.600 3.998 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCOC[C@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001172354726 905524381 /nfs/dbraw/zinc/52/43/81/905524381.db2.gz KLDUDALEKKCHPG-RBBKRZOGSA-N 1 0 382.589 3.711 20 30 GHEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CN(CCOC)C(=O)[C@@H]2COC)CC1 ZINC001172355054 905525110 /nfs/dbraw/zinc/52/51/10/905525110.db2.gz MBTISRDBJXSWNL-SFTDATJTSA-N 1 0 396.616 3.959 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1 ZINC001172354334 905525404 /nfs/dbraw/zinc/52/54/04/905525404.db2.gz GOYOVXUJRJTEGO-WOJBJXKFSA-N 1 0 385.556 3.711 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001172356587 905526594 /nfs/dbraw/zinc/52/65/94/905526594.db2.gz XKSIBRLGXPZGID-KNQAVFIVSA-N 1 0 379.589 3.528 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2C ZINC001172496771 905598440 /nfs/dbraw/zinc/59/84/40/905598440.db2.gz QJEGWFIEAXIMAM-IBGZPJMESA-N 1 0 377.536 3.869 20 30 GHEDRO CCCCCCC[C@@H](CCC)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172510630 905604358 /nfs/dbraw/zinc/60/43/58/905604358.db2.gz HIRULHQGGJSZHB-JOCHJYFZSA-N 1 0 389.632 3.975 20 30 GHEDRO N#CCc1cccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176851689 905961047 /nfs/dbraw/zinc/96/10/47/905961047.db2.gz PRPJHUHSJPEKBC-UHFFFAOYSA-N 1 0 391.515 3.554 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CCO2 ZINC001172962256 906022911 /nfs/dbraw/zinc/02/29/11/906022911.db2.gz LORQWSDSPZIUNW-XQBPLPMBSA-N 1 0 396.572 3.706 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC2 ZINC001172962631 906023445 /nfs/dbraw/zinc/02/34/45/906023445.db2.gz ORMBREPGTSWTDA-GCJKJVERSA-N 1 0 393.572 3.665 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2c3ccc(F)cc3c3c2C[NH2+]CC3)C[C@H]1C#N ZINC001172990620 906034995 /nfs/dbraw/zinc/03/49/95/906034995.db2.gz PRPLAFWIXUZQKJ-HOTGVXAUSA-N 1 0 398.482 3.890 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCOc3cc(F)ccc32)C[C@H]1C#N ZINC001172973294 906037653 /nfs/dbraw/zinc/03/76/53/906037653.db2.gz BWSAGHMWWRFZAU-YQQAZPJKSA-N 1 0 375.444 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)C[C@H]1C#N ZINC001172976452 906042085 /nfs/dbraw/zinc/04/20/85/906042085.db2.gz PVSKYHVVMAWVBH-CABCVRRESA-N 1 0 381.423 3.669 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1C#N ZINC001172976953 906042136 /nfs/dbraw/zinc/04/21/36/906042136.db2.gz XXCDBXNZONXWTG-MSOLQXFVSA-N 1 0 385.508 3.781 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)cc1 ZINC001172990675 906049202 /nfs/dbraw/zinc/04/92/02/906049202.db2.gz QJKVSQKFYQKGDF-OTWHNJEPSA-N 1 0 385.508 3.776 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H]2COCc2ccccc2)C[C@H]1C#N ZINC001172986130 906051313 /nfs/dbraw/zinc/05/13/13/906051313.db2.gz URUYMADOGSKODH-AQNXPRMDSA-N 1 0 385.508 3.569 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C2 ZINC001172958655 906065845 /nfs/dbraw/zinc/06/58/45/906065845.db2.gz MMYYKIDKECLUKJ-NNMXDRDESA-N 1 0 396.572 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(COc4ccccc43)CC2)C[C@H]1C#N ZINC001172990988 906101739 /nfs/dbraw/zinc/10/17/39/906101739.db2.gz TVTHNCHRMOBRQQ-ROUUACIJSA-N 1 0 397.519 3.704 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991175 906101847 /nfs/dbraw/zinc/10/18/47/906101847.db2.gz VREOUZUYJWQWHI-WDSOQIARSA-N 1 0 387.524 3.850 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](C4CCC5(CCOCC5)CC4)C3)CC2=O)c1 ZINC001173048473 906120144 /nfs/dbraw/zinc/12/01/44/906120144.db2.gz WEDYWJBEMQEDJV-XMMPIXPASA-N 1 0 393.531 3.726 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC3 ZINC000190614944 906175304 /nfs/dbraw/zinc/17/53/04/906175304.db2.gz CNCQTNPNQOVUEY-YADARESESA-N 1 0 398.510 3.596 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)c1F ZINC001173182184 906263712 /nfs/dbraw/zinc/26/37/12/906263712.db2.gz ITVCUGSMUPEZAQ-CQSZACIVSA-N 1 0 387.411 3.604 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)CC1 ZINC001173334133 906378032 /nfs/dbraw/zinc/37/80/32/906378032.db2.gz VFVVXZBEOCXNHB-WTXPMHKTSA-N 1 0 376.541 3.526 20 30 GHEDRO Cc1nc(Cn2c(=O)ccc3c2CC[N@@H+](C2CCC(CC#N)CC2)CC3)cs1 ZINC001173335576 906379948 /nfs/dbraw/zinc/37/99/48/906379948.db2.gz RFBZOCRGHDIAES-UHFFFAOYSA-N 1 0 396.560 3.535 20 30 GHEDRO C=CCOC1CCC([NH2+]C2(CCOC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001173317101 906388850 /nfs/dbraw/zinc/38/88/50/906388850.db2.gz AUBOIGYHZYTVBY-UHFFFAOYSA-N 1 0 396.572 3.896 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cnc(Cl)cc3Cl)CC2)cc1 ZINC001173427222 906463212 /nfs/dbraw/zinc/46/32/12/906463212.db2.gz QATPXDFCSZNGKR-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426749 906463238 /nfs/dbraw/zinc/46/32/38/906463238.db2.gz LMAXEBXLYNSHRA-JOCHJYFZSA-N 1 0 388.515 3.772 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC001173433769 906470318 /nfs/dbraw/zinc/47/03/18/906470318.db2.gz WETPCRJAROOPAI-FQEVSTJZSA-N 1 0 377.463 3.791 20 30 GHEDRO C=CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000190977519 906499488 /nfs/dbraw/zinc/49/94/88/906499488.db2.gz QSPMEQSVBWQHOM-PKTZIBPZSA-N 1 0 378.516 3.754 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](C[NH2+]C3CCC(C)(C#N)CC3)O2)CC1 ZINC001173586723 906545116 /nfs/dbraw/zinc/54/51/16/906545116.db2.gz FNLJQEMCXHYOQJ-GNZRSQJKSA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](C1CCC(C)(C#N)CC1)CCO2 ZINC001173592759 906546764 /nfs/dbraw/zinc/54/67/64/906546764.db2.gz ASVRJVRHVZNADQ-UHFFFAOYSA-N 1 0 377.529 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](N2CCC([NH2+]C3CCC(C)(C#N)CC3)CC2)C1 ZINC001173591713 906547119 /nfs/dbraw/zinc/54/71/19/906547119.db2.gz QKAWKLNBMUSKPE-OZWAEMERSA-N 1 0 390.572 3.522 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](C2COC2)C2CCC(C)(C#N)CC2)CC1 ZINC001173599773 906552473 /nfs/dbraw/zinc/55/24/73/906552473.db2.gz QTLAXRNRSYYLNL-UHFFFAOYSA-N 1 0 377.529 3.559 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001173654664 906640510 /nfs/dbraw/zinc/64/05/10/906640510.db2.gz UXPVMIJJSRPBNX-LUQKVYGDSA-N 1 0 395.503 3.816 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(C(=O)NCc4ccco4)cc3)sc2C1 ZINC001174154830 906846067 /nfs/dbraw/zinc/84/60/67/906846067.db2.gz LZAHVDIDNYDCDJ-UHFFFAOYSA-N 1 0 392.484 3.874 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1C#N ZINC000191308146 906863595 /nfs/dbraw/zinc/86/35/95/906863595.db2.gz ULZXSXDPZYBGRM-MRXNPFEDSA-N 1 0 381.867 3.980 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000181571628 907028701 /nfs/dbraw/zinc/02/87/01/907028701.db2.gz DQKPRXCCCMQQRT-PBHICJAKSA-N 1 0 394.393 3.698 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001174691076 907150555 /nfs/dbraw/zinc/15/05/55/907150555.db2.gz OQKLMIVAXYGLAI-IBGZPJMESA-N 1 0 397.519 3.518 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001174691080 907150679 /nfs/dbraw/zinc/15/06/79/907150679.db2.gz OQKLMIVAXYGLAI-LJQANCHMSA-N 1 0 397.519 3.518 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 ZINC000182529854 907223253 /nfs/dbraw/zinc/22/32/53/907223253.db2.gz DMAQRUYUZNQOBJ-IZCOPSDLSA-N 1 0 384.524 3.615 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182935440 907294911 /nfs/dbraw/zinc/29/49/11/907294911.db2.gz ULADATIJJUFGRD-NQIIRXRSSA-N 1 0 380.536 3.909 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1 ZINC000183041055 907316435 /nfs/dbraw/zinc/31/64/35/907316435.db2.gz ZAZBDKPAQYLBRF-UHFFFAOYSA-N 1 0 393.487 3.816 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000192083690 907392455 /nfs/dbraw/zinc/39/24/55/907392455.db2.gz CHNMWTZPMYWBHM-OAHLLOKOSA-N 1 0 389.496 3.579 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183718670 907445624 /nfs/dbraw/zinc/44/56/24/907445624.db2.gz CDAVNSGFZVBFIE-SJLPKXTDSA-N 1 0 389.565 3.940 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000631267372 907658738 /nfs/dbraw/zinc/65/87/38/907658738.db2.gz GGGKZYMPICXOHM-INIZCTEOSA-N 1 0 389.517 3.557 20 30 GHEDRO Cc1cc(Br)c(F)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000184818129 907662807 /nfs/dbraw/zinc/66/28/07/907662807.db2.gz XZALAXZFRMGRDH-UHFFFAOYSA-N 1 0 385.281 3.596 20 30 GHEDRO C[C@@](O)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000184961294 907687874 /nfs/dbraw/zinc/68/78/74/907687874.db2.gz VMEVAQNDFPDZFI-JOCHJYFZSA-N 1 0 383.923 3.673 20 30 GHEDRO C[N@@H+]1CCc2ncc(Nc3ccc(S(=O)(=O)OCC(C)(C)C)cc3)cc2C1 ZINC001176260674 908028069 /nfs/dbraw/zinc/02/80/69/908028069.db2.gz OCOXNMYXXFPYEB-UHFFFAOYSA-N 1 0 389.521 3.565 20 30 GHEDRO C#CCC1([NH2+][C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCC1 ZINC001176380204 908058031 /nfs/dbraw/zinc/05/80/31/908058031.db2.gz CCQODUMNEQCIBJ-ZDUSSCGKSA-N 1 0 384.461 3.581 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC001176410628 908104179 /nfs/dbraw/zinc/10/41/79/908104179.db2.gz BLKSAFZNNKRYFN-PZJWPPBQSA-N 1 0 383.536 3.769 20 30 GHEDRO C=CC[C@@H](C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000189950053 908391668 /nfs/dbraw/zinc/39/16/68/908391668.db2.gz BAEBQYLPXHTXKK-HSZRJFAPSA-N 1 0 393.531 3.611 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cccc(F)c3F)CC2)cc1 ZINC000299527646 921413258 /nfs/dbraw/zinc/41/32/58/921413258.db2.gz BGFQWQBIWSWTKE-UHFFFAOYSA-N 1 0 383.442 3.504 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000190610181 908506759 /nfs/dbraw/zinc/50/67/59/908506759.db2.gz OFDWXWUZHSFNSD-LIRRHRJNSA-N 1 0 385.414 3.611 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190612000 908507362 /nfs/dbraw/zinc/50/73/62/908507362.db2.gz PCZGBIOZBGUOIL-KDOFPFPSSA-N 1 0 382.533 3.898 20 30 GHEDRO COc1cccc2cc([C@@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc21 ZINC000190622683 908510195 /nfs/dbraw/zinc/51/01/95/908510195.db2.gz WFFYVWYUURKXPA-BEFAXECRSA-N 1 0 389.455 3.765 20 30 GHEDRO Cc1cc(F)c(Br)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000190876005 908537376 /nfs/dbraw/zinc/53/73/76/908537376.db2.gz IVCVNBHGOPFKEN-UHFFFAOYSA-N 1 0 385.281 3.596 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779768730 908631982 /nfs/dbraw/zinc/63/19/82/908631982.db2.gz XUNSTGGGYMYDEG-IBGZPJMESA-N 1 0 389.503 3.726 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCN(C)C(=O)OC(C)(C)C)cc1OC ZINC001177599817 908661927 /nfs/dbraw/zinc/66/19/27/908661927.db2.gz RDHGASUXQVFWEH-UHFFFAOYSA-N 1 0 384.904 3.870 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634340815 908680672 /nfs/dbraw/zinc/68/06/72/908680672.db2.gz AMNQXVXUWVAAHC-QGZVFWFLSA-N 1 0 375.586 3.877 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000773698863 908695926 /nfs/dbraw/zinc/69/59/26/908695926.db2.gz DIBDFYRDDVEVNS-HBMCJLEFSA-N 1 0 383.536 3.769 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001177783666 908755287 /nfs/dbraw/zinc/75/52/87/908755287.db2.gz CTTBZCWMBDPENQ-UHFFFAOYSA-N 1 0 397.544 3.640 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001177915850 908801851 /nfs/dbraw/zinc/80/18/51/908801851.db2.gz QFUOUADPDSQODW-LWYYNNOASA-N 1 0 379.529 3.742 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC001178209549 908942382 /nfs/dbraw/zinc/94/23/82/908942382.db2.gz WOOFWAKSPNHOEI-KGLIPLIRSA-N 1 0 377.428 3.693 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc([N+](=O)[O-])cc1)C(=S)N[C@@H](C)CC ZINC000194973920 908947860 /nfs/dbraw/zinc/94/78/60/908947860.db2.gz SQHJMTPVDBFOKH-AWEZNQCLSA-O 1 0 386.497 3.772 20 30 GHEDRO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000195149722 908972628 /nfs/dbraw/zinc/97/26/28/908972628.db2.gz SCUULXKRNGEFPT-QFIPXVFZSA-N 1 0 379.504 3.651 20 30 GHEDRO CC[N@@H+]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C(C)(C)C1 ZINC001178860983 909289021 /nfs/dbraw/zinc/28/90/21/909289021.db2.gz PCQQQJNXFGTENY-NRFANRHFSA-N 1 0 377.488 3.597 20 30 GHEDRO C=C1CCC(C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC001179541981 909587018 /nfs/dbraw/zinc/58/70/18/909587018.db2.gz ULIDOOCTUDXDOG-UHFFFAOYSA-N 1 0 378.944 3.887 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)cc1OC ZINC001179584421 909614371 /nfs/dbraw/zinc/61/43/71/909614371.db2.gz QHLQWPZGSGWSFC-IRXDYDNUSA-N 1 0 382.957 3.583 20 30 GHEDRO CCOc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1OC(F)F ZINC000268102321 909769640 /nfs/dbraw/zinc/76/96/40/909769640.db2.gz XDDFAGHXIYNBQO-UHFFFAOYSA-N 1 0 395.406 3.631 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc1 ZINC001179822984 909773550 /nfs/dbraw/zinc/77/35/50/909773550.db2.gz YMSUBPPFILJCCJ-UHFFFAOYSA-N 1 0 398.551 3.962 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](Cc1ccc(OC)cc1)c1ccccc1 ZINC001180020415 909891786 /nfs/dbraw/zinc/89/17/86/909891786.db2.gz CIKKAJJKWIWKCH-JTHBVZDNSA-N 1 0 378.516 3.788 20 30 GHEDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000269414125 910256499 /nfs/dbraw/zinc/25/64/99/910256499.db2.gz JVVPPXFGYRPWQB-OAQYLSRUSA-N 1 0 379.479 3.972 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc(F)c(C)c1)[n+]1cccc(C)c1 ZINC000269676660 910331582 /nfs/dbraw/zinc/33/15/82/910331582.db2.gz DATKAORGXLBBEU-UHFFFAOYSA-O 1 0 377.530 3.621 20 30 GHEDRO COc1ccc(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)cc1OCCCC#N ZINC000269764533 910348939 /nfs/dbraw/zinc/34/89/39/910348939.db2.gz DKGBTALGZSKKQZ-QFIPXVFZSA-N 1 0 380.488 3.981 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1OC ZINC000270235238 910490160 /nfs/dbraw/zinc/49/01/60/910490160.db2.gz BBIPFRGOXXUXKW-UHFFFAOYSA-N 1 0 381.476 3.734 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001181436313 910789159 /nfs/dbraw/zinc/78/91/59/910789159.db2.gz PBUPVFTUERXVOI-NVXWUHKLSA-N 1 0 377.435 3.780 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(C(F)(F)F)cc1 ZINC000271690157 911014949 /nfs/dbraw/zinc/01/49/49/911014949.db2.gz KHGGGXXSBUAFHU-OTZFSBHDSA-N 1 0 381.398 3.519 20 30 GHEDRO CCCCC[N@H+](C)CCC(=O)Nc1cc(C#N)ccc1CCCC(=O)OCC ZINC001181864775 911046610 /nfs/dbraw/zinc/04/66/10/911046610.db2.gz HKYHUQSRHCWNBW-UHFFFAOYSA-N 1 0 387.524 3.895 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000801954115 921679058 /nfs/dbraw/zinc/67/90/58/921679058.db2.gz ABKVMRFZZRTHAQ-IBGZPJMESA-N 1 0 398.551 3.976 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)CCN2C2CC2)c1 ZINC000801958614 921685416 /nfs/dbraw/zinc/68/54/16/921685416.db2.gz KURSOOXPJLSNPY-GOTSBHOMSA-N 1 0 377.488 3.665 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000284372383 911844268 /nfs/dbraw/zinc/84/42/68/911844268.db2.gz FBYQQNQYRNQLGI-KPZWWZAWSA-N 1 0 399.292 3.784 20 30 GHEDRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000248231566 911880937 /nfs/dbraw/zinc/88/09/37/911880937.db2.gz RGYRVAJCPTZXJB-ZWDAVXSWSA-N 1 0 387.524 3.655 20 30 GHEDRO Cn1nccc1[C@H]1[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCN1C ZINC000284769042 912021775 /nfs/dbraw/zinc/02/17/75/912021775.db2.gz GXLDGLNISZGGFC-LDOASJGRSA-N 1 0 391.563 3.797 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC001186933134 914881053 /nfs/dbraw/zinc/88/10/53/914881053.db2.gz VLGDPQWYIPMKEF-UHFFFAOYSA-N 1 0 376.460 3.755 20 30 GHEDRO CC[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccccc1OC ZINC000775089777 915063699 /nfs/dbraw/zinc/06/36/99/915063699.db2.gz SQNPRWAHERTDEL-MSOLQXFVSA-N 1 0 386.455 3.973 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000303780134 915125974 /nfs/dbraw/zinc/12/59/74/915125974.db2.gz LBPWXFZEWYRSIN-SFHVURJKSA-N 1 0 380.536 3.959 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000303880086 915238487 /nfs/dbraw/zinc/23/84/87/915238487.db2.gz KAQOXCMJYPLKGD-UHFFFAOYSA-N 1 0 380.536 3.946 20 30 GHEDRO CSc1nnc(CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)n1CC(C)C ZINC000303881283 915294947 /nfs/dbraw/zinc/29/49/47/915294947.db2.gz KSRVLKNGADZPGM-UHFFFAOYSA-N 1 0 386.569 3.504 20 30 GHEDRO CCCNC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303881077 915295056 /nfs/dbraw/zinc/29/50/56/915295056.db2.gz HJCGNXXZOBEINM-UHFFFAOYSA-N 1 0 394.397 3.652 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000303991523 915350806 /nfs/dbraw/zinc/35/08/06/915350806.db2.gz ZOQRMZWPNGVEKB-FQEVSTJZSA-N 1 0 386.927 3.757 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000252692366 915435974 /nfs/dbraw/zinc/43/59/74/915435974.db2.gz BGKVGSILEBZLMP-SXWKCWPCSA-N 1 0 394.563 3.579 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cccc(Br)c3F)CC2)C1=O ZINC001275629933 915450554 /nfs/dbraw/zinc/45/05/54/915450554.db2.gz DKPOLGLNIVPULZ-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO CCN(CC)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1cccc(OC)c1 ZINC000304479037 915516456 /nfs/dbraw/zinc/51/64/56/915516456.db2.gz IUICZDNHELXXDL-RTWAWAEBSA-N 1 0 396.535 3.506 20 30 GHEDRO CC(C)[C@H](CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1)N1CCOCC1 ZINC000304483023 915525286 /nfs/dbraw/zinc/52/52/86/915525286.db2.gz KIFOGIXQOKHIQI-NRFANRHFSA-N 1 0 382.508 3.562 20 30 GHEDRO [NH2+]=C(NCCCSc1nccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304756974 915672672 /nfs/dbraw/zinc/67/26/72/915672672.db2.gz OHGLGNWRWHELMQ-UHFFFAOYSA-N 1 0 376.429 3.951 20 30 GHEDRO N#CCCCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000292436636 915676222 /nfs/dbraw/zinc/67/62/22/915676222.db2.gz RGSRPSMPLLCFDL-JOCHJYFZSA-N 1 0 376.504 3.769 20 30 GHEDRO N#Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cnc1C(F)(F)F ZINC000292693188 915802360 /nfs/dbraw/zinc/80/23/60/915802360.db2.gz GDKMBKIGFWXWTJ-AWEZNQCLSA-N 1 0 394.422 3.600 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)c(O[C@@H]2CCOC2)c1 ZINC000305073203 915884628 /nfs/dbraw/zinc/88/46/28/915884628.db2.gz ULVZNJUKNIAVOH-HXUWFJFHSA-N 1 0 383.492 3.877 20 30 GHEDRO Cn1cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c(-c2ccc(C#N)cc2)n1 ZINC000293130107 916021415 /nfs/dbraw/zinc/02/14/15/916021415.db2.gz ZSCJPVWBIYAEFM-UHFFFAOYSA-N 1 0 385.393 3.705 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(C#N)c1C ZINC000293167268 916042843 /nfs/dbraw/zinc/04/28/43/916042843.db2.gz GFUKQNUSXAHGSU-HNNXBMFYSA-N 1 0 399.466 3.616 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)c2nc(-c3ccccc3)no2)cc1Cl ZINC000305660944 916208882 /nfs/dbraw/zinc/20/88/82/916208882.db2.gz RPKVQDBIJYNCNR-GFCCVEGCSA-N 1 0 385.855 3.929 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3ccc(Br)cc3F)CC2)C1=O ZINC001275725179 916418244 /nfs/dbraw/zinc/41/82/44/916418244.db2.gz YCCKKERMACXULM-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(N2CCOCC2)cc1 ZINC000775258937 916687415 /nfs/dbraw/zinc/68/74/15/916687415.db2.gz CFTODIUPOOFIQW-MRXNPFEDSA-N 1 0 385.895 3.930 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(C#N)c1 ZINC000775334971 916991884 /nfs/dbraw/zinc/99/18/84/916991884.db2.gz AYBRNZLIJMFLIJ-BDAKNGLRSA-N 1 0 383.320 3.932 20 30 GHEDRO COC(=O)c1ccc(COc2ccc(C[NH2+][C@H]3CC[C@@H](CC#N)C3)cc2OC)o1 ZINC000294923294 917054528 /nfs/dbraw/zinc/05/45/28/917054528.db2.gz BBMHONYUBQUXOK-RDJZCZTQSA-N 1 0 398.459 3.826 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)cc1 ZINC001190325052 917257992 /nfs/dbraw/zinc/25/79/92/917257992.db2.gz LEBXPECDKFTGGX-JOCHJYFZSA-N 1 0 392.499 3.686 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000775398919 917439812 /nfs/dbraw/zinc/43/98/12/917439812.db2.gz NYUXANGRXBLDGM-OAQYLSRUSA-N 1 0 389.499 3.652 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295970968 917679001 /nfs/dbraw/zinc/67/90/01/917679001.db2.gz NVBMGMGXSAEQIW-HLAWJBBLSA-N 1 0 395.551 3.805 20 30 GHEDRO CCCCCCCCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001191069828 917735690 /nfs/dbraw/zinc/73/56/90/917735690.db2.gz STRKGRVSBXSDDI-UHFFFAOYSA-N 1 0 376.545 3.929 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1=O ZINC001275819862 917949511 /nfs/dbraw/zinc/94/95/11/917949511.db2.gz WSECXEPJYHCYMH-HXUWFJFHSA-N 1 0 385.920 3.664 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001192256831 918543829 /nfs/dbraw/zinc/54/38/29/918543829.db2.gz UGTFJDFEFRTQSV-KLJZETAQSA-N 1 0 391.515 3.602 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)C1 ZINC000297331268 919248327 /nfs/dbraw/zinc/24/83/27/919248327.db2.gz HUGFCPSGGHKXSW-QFIPXVFZSA-N 1 0 391.475 3.695 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000114747504 919414252 /nfs/dbraw/zinc/41/42/52/919414252.db2.gz FIXBPMTZIBKIFK-JXFKEZNVSA-N 1 0 393.487 3.810 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000297973108 920040547 /nfs/dbraw/zinc/04/05/47/920040547.db2.gz VNXNLDKXFGJTBG-MRXNPFEDSA-N 1 0 378.476 3.756 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000800497065 920184938 /nfs/dbraw/zinc/18/49/38/920184938.db2.gz XFEDXXWJRSEORY-ACJLOTCBSA-N 1 0 375.266 3.736 20 30 GHEDRO N#C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1c(Cl)cccc1Cl ZINC000900607770 920449953 /nfs/dbraw/zinc/44/99/53/920449953.db2.gz HNPYWZMWFBPBAI-MQBCKMQZSA-N 1 0 396.318 3.565 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000298482778 920584368 /nfs/dbraw/zinc/58/43/68/920584368.db2.gz PZDNRHRQKFOVAR-FPOVZHCZSA-N 1 0 380.536 3.766 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)c2ccccc2C#N)[C@@H]1c1cccs1 ZINC000900826155 920637698 /nfs/dbraw/zinc/63/76/98/920637698.db2.gz LUGOZFRRSYDMDS-CRAIPNDOSA-N 1 0 389.471 3.911 20 30 GHEDRO N#CCCCn1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000365464650 920823758 /nfs/dbraw/zinc/82/37/58/920823758.db2.gz VBDTUPGWQZUNQW-LJQANCHMSA-N 1 0 378.520 3.893 20 30 GHEDRO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]NC1C[C@@H](C)O[C@H](C)C1 ZINC000901312388 921007644 /nfs/dbraw/zinc/00/76/44/921007644.db2.gz YTPLNIQXRDOQBH-IAGOWNOFSA-N 1 0 381.524 3.660 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000902204115 921984066 /nfs/dbraw/zinc/98/40/66/921984066.db2.gz WKLWXWOYWBOTNZ-MUJYYYPQSA-N 1 0 382.524 3.876 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(C#N)ccn1 ZINC000902752414 922464937 /nfs/dbraw/zinc/46/49/37/922464937.db2.gz JMZAGQQRMJRWJC-AWEZNQCLSA-N 1 0 390.409 3.659 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1cccc(C#N)c1 ZINC000902774346 922489234 /nfs/dbraw/zinc/48/92/34/922489234.db2.gz FHCGQQDMTYUCNC-QFIPXVFZSA-N 1 0 379.504 3.510 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000749128138 924036751 /nfs/dbraw/zinc/03/67/51/924036751.db2.gz FJXNCTFTRBPXAF-BPUDTRNYSA-N 1 0 393.531 3.919 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000749128141 924038006 /nfs/dbraw/zinc/03/80/06/924038006.db2.gz FJXNCTFTRBPXAF-KWOQKUFVSA-N 1 0 393.531 3.919 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+](CC4CCCCC4)CC3)CC2)c1 ZINC000749187203 924466169 /nfs/dbraw/zinc/46/61/69/924466169.db2.gz YWANUZJBUAXZGM-UHFFFAOYSA-N 1 0 380.536 3.891 20 30 GHEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000371332254 924530498 /nfs/dbraw/zinc/53/04/98/924530498.db2.gz OBUKCISEUDJJAI-FDDCHVKYSA-N 1 0 383.536 3.981 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000678055849 924594015 /nfs/dbraw/zinc/59/40/15/924594015.db2.gz SWUNKZCTSKPFFM-UHFFFAOYSA-N 1 0 396.535 3.631 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000371533392 924640609 /nfs/dbraw/zinc/64/06/09/924640609.db2.gz GQOIQVZLEKJUET-ZWKOTPCHSA-N 1 0 395.453 3.743 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4c[nH]c5ccc(F)cc45)C3)CC2=O)c1 ZINC001137338745 924805801 /nfs/dbraw/zinc/80/58/01/924805801.db2.gz VBOWEDJHABQHJT-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO CN1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000409729231 924933657 /nfs/dbraw/zinc/93/36/57/924933657.db2.gz CKXJXHVQNHUNEA-PBHICJAKSA-N 1 0 382.336 3.529 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Br)cc3O)CCOCC2)c1 ZINC000827327716 925271028 /nfs/dbraw/zinc/27/10/28/925271028.db2.gz PDDLEAAYHISPPP-UHFFFAOYSA-N 1 0 387.277 3.822 20 30 GHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnc2ccc(C#N)cn12 ZINC000372405597 925397428 /nfs/dbraw/zinc/39/74/28/925397428.db2.gz WRMXOZUHDQYNDZ-AYHJJNSGSA-N 1 0 395.507 3.616 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cscc1C#N ZINC000410470050 925673104 /nfs/dbraw/zinc/67/31/04/925673104.db2.gz FAQTWEWSYOXXMK-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)C(C)C ZINC000827518932 925748472 /nfs/dbraw/zinc/74/84/72/925748472.db2.gz GPHIINHSINYCCG-OAHLLOKOSA-N 1 0 381.423 3.610 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000372954182 925786628 /nfs/dbraw/zinc/78/66/28/925786628.db2.gz ZOIZAHANOKMXNX-UHFFFAOYSA-N 1 0 399.454 3.686 20 30 GHEDRO C#C[C@@H]([NH2+]CC1(CCC)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000827559905 925811119 /nfs/dbraw/zinc/81/11/19/925811119.db2.gz LFHWHOMZIAAPQW-LJQANCHMSA-N 1 0 378.557 3.822 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(OC)c(OC)c1)[C@@H]2CC ZINC001137503433 926220608 /nfs/dbraw/zinc/22/06/08/926220608.db2.gz ZCJRHUPLUHYNKD-KNQAVFIVSA-N 1 0 390.499 3.765 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(OC)c1 ZINC000411218116 926225373 /nfs/dbraw/zinc/22/53/73/926225373.db2.gz AXTKVGBJJBYGFD-ZRBLBEILSA-N 1 0 391.515 3.870 20 30 GHEDRO CC(C)OC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411503840 926461520 /nfs/dbraw/zinc/46/15/20/926461520.db2.gz LGIZWGAYSRRZCX-HXUWFJFHSA-N 1 0 379.460 3.559 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)OCC(=O)N(CC#N)c2ccccc2)cc1)C(C)C ZINC000726054036 926540269 /nfs/dbraw/zinc/54/02/69/926540269.db2.gz JGEDNTOBBDRQHM-UHFFFAOYSA-N 1 0 393.487 3.630 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000411762636 926739795 /nfs/dbraw/zinc/73/97/95/926739795.db2.gz XKOQXAJAZBTKDZ-BUXKBTBVSA-N 1 0 389.908 3.894 20 30 GHEDRO COC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411804733 926795107 /nfs/dbraw/zinc/79/51/07/926795107.db2.gz GSLHWNSCJGNDLA-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C1(CO)CCCC1 ZINC000411813114 926812682 /nfs/dbraw/zinc/81/26/82/926812682.db2.gz CIODIBXSDBSOAT-LJQANCHMSA-N 1 0 389.565 3.604 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000412001776 926994929 /nfs/dbraw/zinc/99/49/29/926994929.db2.gz HYMVJPNFHAYVLJ-UHFFFAOYSA-N 1 0 375.310 3.598 20 30 GHEDRO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000374304601 927002870 /nfs/dbraw/zinc/00/28/70/927002870.db2.gz APDHJJPHJVSADN-NRFANRHFSA-N 1 0 388.515 3.520 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000374312045 927009785 /nfs/dbraw/zinc/00/97/85/927009785.db2.gz QJAJPMVPOCUZQS-UHFFFAOYSA-N 1 0 376.847 3.509 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000412058781 927058936 /nfs/dbraw/zinc/05/89/36/927058936.db2.gz AZXFEXBEKZGCNG-MRXNPFEDSA-N 1 0 396.491 3.942 20 30 GHEDRO CC(C)[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCC(=O)N1 ZINC000412084723 927074933 /nfs/dbraw/zinc/07/49/33/927074933.db2.gz QQTHQWAXIMXDRS-JOCHJYFZSA-N 1 0 375.516 3.875 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000412082771 927076041 /nfs/dbraw/zinc/07/60/41/927076041.db2.gz XVOPRQSNKRRPCU-IBGZPJMESA-N 1 0 399.535 3.767 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412204607 927205719 /nfs/dbraw/zinc/20/57/19/927205719.db2.gz LKLVISWCVQIDKC-VQTJNVASSA-N 1 0 383.442 3.530 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000749695880 927243345 /nfs/dbraw/zinc/24/33/45/927243345.db2.gz XKFBDRCXPUXMMG-RTBURBONSA-N 1 0 393.572 3.523 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]CCCC3(C#N)CCOCC3)CCN2C2CC2)c1 ZINC000374792900 927528382 /nfs/dbraw/zinc/52/83/82/927528382.db2.gz JZIHFFFPAJAQRI-VXKWHMMOSA-N 1 0 383.536 3.663 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000751095687 928027667 /nfs/dbraw/zinc/02/76/67/928027667.db2.gz ZINZXFIHBRZWQO-UGKGYDQZSA-N 1 0 391.515 3.551 20 30 GHEDRO COc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)[NH+](C)C)cc1OC ZINC000413030843 928121694 /nfs/dbraw/zinc/12/16/94/928121694.db2.gz WINVJVYGQZRMAV-SFHVURJKSA-N 1 0 384.436 3.507 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2C)ccc1OC ZINC000751502201 928224079 /nfs/dbraw/zinc/22/40/79/928224079.db2.gz ZVLRGFBAVXTJKB-SFHVURJKSA-N 1 0 384.476 3.992 20 30 GHEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000544002089 928673512 /nfs/dbraw/zinc/67/35/12/928673512.db2.gz NKCNVEQBUYCQGR-FQVISZRSSA-N 1 0 392.503 3.959 20 30 GHEDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000467179731 928793900 /nfs/dbraw/zinc/79/39/00/928793900.db2.gz HQVKEIXOXOKVGE-ZDUSSCGKSA-N 1 0 390.386 3.562 20 30 GHEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000467219079 928841708 /nfs/dbraw/zinc/84/17/08/928841708.db2.gz QMOZOFHBBCNYJW-XMMPIXPASA-N 1 0 399.498 3.780 20 30 GHEDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467296957 928931547 /nfs/dbraw/zinc/93/15/47/928931547.db2.gz LBFJVTNQCIGECM-HZPDHXFCSA-N 1 0 389.565 3.964 20 30 GHEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000467497667 929131501 /nfs/dbraw/zinc/13/15/01/929131501.db2.gz YNMMAGPQGXQLAR-AWEZNQCLSA-N 1 0 383.517 3.706 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000753147939 929227659 /nfs/dbraw/zinc/22/76/59/929227659.db2.gz DUVILPCUXRXVHG-HNNXBMFYSA-N 1 0 384.307 3.767 20 30 GHEDRO CC[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757111811 929650099 /nfs/dbraw/zinc/65/00/99/929650099.db2.gz XXRZEFCHVKEMFX-QUCCMNQESA-N 1 0 387.524 3.952 20 30 GHEDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1O ZINC000757285403 929686152 /nfs/dbraw/zinc/68/61/52/929686152.db2.gz JYUDVHWRLRSGDM-IBGZPJMESA-N 1 0 390.487 3.611 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)[C@@]12CCCO2 ZINC000546056718 929811612 /nfs/dbraw/zinc/81/16/12/929811612.db2.gz QPVHQYBGYMAINM-VXNXHJTFSA-N 1 0 392.499 3.953 20 30 GHEDRO COc1ccc(C[N@H+](Cn2ccc(C)c(C#N)c2=O)C2CCCCC2)cc1OC ZINC000758210789 929974760 /nfs/dbraw/zinc/97/47/60/929974760.db2.gz RVPDUAQFLGTKOD-UHFFFAOYSA-N 1 0 395.503 3.838 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](CC)Cc2ccccc2Br)CC1 ZINC000758249225 929987719 /nfs/dbraw/zinc/98/77/19/929987719.db2.gz OAWHZYWSGXVAAW-INIZCTEOSA-N 1 0 391.353 3.622 20 30 GHEDRO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C1CCN(CC#N)CC1 ZINC000758521366 930069976 /nfs/dbraw/zinc/06/99/76/930069976.db2.gz ZQPKBAMCDCGLMM-UHFFFAOYSA-N 1 0 385.943 3.901 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)c2)cc1 ZINC000470183413 930437747 /nfs/dbraw/zinc/43/77/47/930437747.db2.gz RARZYECPVVONDB-JOCHJYFZSA-N 1 0 389.499 3.884 20 30 GHEDRO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546930577 930538692 /nfs/dbraw/zinc/53/86/92/930538692.db2.gz KEFYVTCTRDMLAY-IBGZPJMESA-N 1 0 396.560 3.772 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)ccc1Cl ZINC000470362082 930561838 /nfs/dbraw/zinc/56/18/38/930561838.db2.gz CJBHMEPLUZGHAK-NRFANRHFSA-N 1 0 389.927 3.788 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCO2 ZINC000780745199 930590207 /nfs/dbraw/zinc/59/02/07/930590207.db2.gz OUUKXLIAZUHRSW-NHCUHLMSSA-N 1 0 375.472 3.729 20 30 GHEDRO S=C(NN=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Nc1ccccn1 ZINC000781128737 930709548 /nfs/dbraw/zinc/70/95/48/930709548.db2.gz UGSCJHXCLUYGDD-QZTJIDSGSA-N 1 0 379.533 3.656 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC000547128478 930721262 /nfs/dbraw/zinc/72/12/62/930721262.db2.gz DVIOROBRPYZPPH-INIZCTEOSA-N 1 0 389.459 3.500 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1F ZINC000781422048 930837256 /nfs/dbraw/zinc/83/72/56/930837256.db2.gz KPWSMIWKCZJIAE-GTNSWQLSSA-N 1 0 376.815 3.506 20 30 GHEDRO C=CCOCCC[NH+]1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000470775798 930902661 /nfs/dbraw/zinc/90/26/61/930902661.db2.gz ZUJJGZQCXMASPY-UHFFFAOYSA-N 1 0 387.549 3.529 20 30 GHEDRO CO[C@]1(C(F)(F)F)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983088 931051123 /nfs/dbraw/zinc/05/11/23/931051123.db2.gz FBALOMIIFDNRET-QFBILLFUSA-N 1 0 397.441 3.674 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000782545814 931264522 /nfs/dbraw/zinc/26/45/22/931264522.db2.gz VRBKQZPDKWNDNI-UHFFFAOYSA-N 1 0 389.503 3.783 20 30 GHEDRO Cc1ccccc1[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCC[C@H](C)C1 ZINC000782764642 931329501 /nfs/dbraw/zinc/32/95/01/931329501.db2.gz IHIITNVBMYCKNE-HNOJUEIOSA-N 1 0 381.520 3.978 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000783091098 931409157 /nfs/dbraw/zinc/40/91/57/931409157.db2.gz DVXXNZHULVAVDO-IIBYNOLFSA-N 1 0 381.463 3.949 20 30 GHEDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000783279748 931480933 /nfs/dbraw/zinc/48/09/33/931480933.db2.gz YADDCHHQDBKSTO-APWZRJJASA-N 1 0 385.508 3.551 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000783289665 931511651 /nfs/dbraw/zinc/51/16/51/931511651.db2.gz QKKYMDCMNQNWEQ-OAHLLOKOSA-N 1 0 392.746 3.744 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F ZINC000557545293 931532549 /nfs/dbraw/zinc/53/25/49/931532549.db2.gz APQSIXYXUDQDNA-HOCLYGCPSA-N 1 0 378.394 3.862 20 30 GHEDRO N#CCN1CCC([NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000924998091 931607584 /nfs/dbraw/zinc/60/75/84/931607584.db2.gz DJEFYAVZSRZSDX-LJQANCHMSA-N 1 0 385.309 3.511 20 30 GHEDRO N#Cc1ccc(Cl)cc1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557736945 931642191 /nfs/dbraw/zinc/64/21/91/931642191.db2.gz VALZUOMSVUNCNC-NRFANRHFSA-N 1 0 380.923 3.608 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](CO)c1ccccc1 ZINC000925273290 931726482 /nfs/dbraw/zinc/72/64/82/931726482.db2.gz DKSAQYLOVCVMOV-HKUYNNGSSA-N 1 0 387.524 3.629 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000925281343 931729799 /nfs/dbraw/zinc/72/97/99/931729799.db2.gz XKPXHJFXPADVIG-MKXGPGLRSA-N 1 0 391.556 3.853 20 30 GHEDRO COc1cc2ccnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2cc1F ZINC000557996630 931794090 /nfs/dbraw/zinc/79/40/90/931794090.db2.gz CAAUUMFSCLHCGQ-UHFFFAOYSA-N 1 0 390.462 3.966 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000558014004 931801185 /nfs/dbraw/zinc/80/11/85/931801185.db2.gz QXBZWLIONDABKB-PZJWPPBQSA-N 1 0 379.589 3.901 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000558319097 931939187 /nfs/dbraw/zinc/93/91/87/931939187.db2.gz HQLUJRLJOLKEBT-UHFFFAOYSA-N 1 0 378.476 3.755 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000558321285 931940536 /nfs/dbraw/zinc/94/05/36/931940536.db2.gz BKIABCWIHAEMGT-HSZRJFAPSA-N 1 0 390.487 3.697 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926016267 932001851 /nfs/dbraw/zinc/00/18/51/932001851.db2.gz ANPXAXVTENAISW-PXNSSMCTSA-N 1 0 392.503 3.894 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000926016266 932002029 /nfs/dbraw/zinc/00/20/29/932002029.db2.gz ANPXAXVTENAISW-FXAWDEMLSA-N 1 0 392.503 3.894 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1Cl ZINC000777584772 932007407 /nfs/dbraw/zinc/00/74/07/932007407.db2.gz AGIBZPCTQJDMNP-UHFFFAOYSA-N 1 0 394.906 3.996 20 30 GHEDRO O=C(NCC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)C1N=CC=CC1=O ZINC000796815164 932077496 /nfs/dbraw/zinc/07/74/96/932077496.db2.gz BOMLIGCNEBOGJK-MYLWSRITSA-N 1 0 387.911 3.872 20 30 GHEDRO N#CC1CCC(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558610457 932106302 /nfs/dbraw/zinc/10/63/02/932106302.db2.gz VGXSCQKRSLGIOW-AOMIVXANSA-N 1 0 382.552 3.918 20 30 GHEDRO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000558737537 932202346 /nfs/dbraw/zinc/20/23/46/932202346.db2.gz CTYHKPUDAQLQFK-CYBMUJFWSA-N 1 0 399.516 3.957 20 30 GHEDRO Cc1ccc(CC[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000926565884 932229469 /nfs/dbraw/zinc/22/94/69/932229469.db2.gz XOCWPFTWDTWSCK-SFHVURJKSA-N 1 0 386.540 3.842 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000798065230 932515986 /nfs/dbraw/zinc/51/59/86/932515986.db2.gz PKHOOHGURDTUOP-LEWJYISDSA-N 1 0 398.551 3.964 20 30 GHEDRO N#Cc1ncc(Br)cc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000798216353 932566568 /nfs/dbraw/zinc/56/65/68/932566568.db2.gz MSQPWWGVTZTGQP-MRXNPFEDSA-N 1 0 385.309 3.692 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c(O)c1 ZINC000798343265 932606208 /nfs/dbraw/zinc/60/62/08/932606208.db2.gz BICSIGXCUCMRJI-YMYKSDKLSA-N 1 0 379.504 3.847 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c(O)c1 ZINC000798343264 932606495 /nfs/dbraw/zinc/60/64/95/932606495.db2.gz BICSIGXCUCMRJI-NWIHLGRDSA-N 1 0 379.504 3.847 20 30 GHEDRO C[C@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000798428559 932643734 /nfs/dbraw/zinc/64/37/34/932643734.db2.gz GXCYBHOHHKADBV-MBSDFSHPSA-N 1 0 376.504 3.831 20 30 GHEDRO C[C@@]1(CNC(=O)c2ccccc2SCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000799013493 932851954 /nfs/dbraw/zinc/85/19/54/932851954.db2.gz QIRNKCNJSJUCSJ-QFIPXVFZSA-N 1 0 379.529 3.944 20 30 GHEDRO Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000799352774 932962785 /nfs/dbraw/zinc/96/27/85/932962785.db2.gz PELCDMLHDCVPTQ-OAQYLSRUSA-N 1 0 385.471 3.763 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000560547763 933333403 /nfs/dbraw/zinc/33/34/03/933333403.db2.gz AHNNNCYEKDPTDJ-XMMPIXPASA-N 1 0 391.490 3.755 20 30 GHEDRO CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000560711194 933484553 /nfs/dbraw/zinc/48/45/53/933484553.db2.gz MVUCRRWRARRZAN-KRWDZBQOSA-N 1 0 384.430 3.696 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)cn2)cc1 ZINC000929700557 933582202 /nfs/dbraw/zinc/58/22/02/933582202.db2.gz LDKRPZKHPNLJQV-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000560818635 933584138 /nfs/dbraw/zinc/58/41/38/933584138.db2.gz NKFOFMANYFYKCR-IBGZPJMESA-N 1 0 385.552 3.540 20 30 GHEDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)nn1-c1cccc(C#N)c1 ZINC001116506357 933598304 /nfs/dbraw/zinc/59/83/04/933598304.db2.gz NQSZBZGBPSNUNG-UHFFFAOYSA-N 1 0 385.471 3.901 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CC(C)(C)C[NH+](C)C)cc1 ZINC000929935995 933717113 /nfs/dbraw/zinc/71/71/13/933717113.db2.gz VASPBWLYTGGSNT-UHFFFAOYSA-N 1 0 386.540 3.552 20 30 GHEDRO C=CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001116935583 933836778 /nfs/dbraw/zinc/83/67/78/933836778.db2.gz HPXRIPOXKDXDBK-NQIIRXRSSA-N 1 0 393.535 3.593 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]2c2cccc(C)c2)CC1 ZINC000561414376 934142048 /nfs/dbraw/zinc/14/20/48/934142048.db2.gz YYWWTKATMPOOAA-JOCHJYFZSA-N 1 0 397.563 3.595 20 30 GHEDRO CC(C)(C)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC001118505161 934183270 /nfs/dbraw/zinc/18/32/70/934183270.db2.gz AHOUTXAZQOVKNA-JOCHJYFZSA-N 1 0 378.516 3.848 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001118811907 934255426 /nfs/dbraw/zinc/25/54/26/934255426.db2.gz NJYZAGBCNHAWST-UHFFFAOYSA-N 1 0 391.515 3.627 20 30 GHEDRO COC1CCN(c2ccc(CN3CCC[C@](C#N)(c4ccccn4)C3)cc2)CC1 ZINC001119787681 934396761 /nfs/dbraw/zinc/39/67/61/934396761.db2.gz GTLLJDBRCVYEST-XMMPIXPASA-N 1 0 390.531 3.754 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC001120469511 934467355 /nfs/dbraw/zinc/46/73/55/934467355.db2.gz ZNPNVSXCTIUAOO-AEFFLSMTSA-N 1 0 378.476 3.579 20 30 GHEDRO N#CC1(CCCC[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)CCC1 ZINC000931334040 934508242 /nfs/dbraw/zinc/50/82/42/934508242.db2.gz ZYBBACFYWPTJBU-QAETUUGQSA-N 1 0 383.458 3.582 20 30 GHEDRO N#CC1(CCCC[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCC1 ZINC000931334039 934508427 /nfs/dbraw/zinc/50/84/27/934508427.db2.gz ZYBBACFYWPTJBU-NXOAAHMSSA-N 1 0 383.458 3.582 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000561899707 934547145 /nfs/dbraw/zinc/54/71/45/934547145.db2.gz HXSBYKOYKJTLAK-OAHLLOKOSA-N 1 0 381.442 3.911 20 30 GHEDRO C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562033489 934647175 /nfs/dbraw/zinc/64/71/75/934647175.db2.gz XPZXKBJPWVZJTH-BGYRXZFFSA-N 1 0 379.552 3.621 20 30 GHEDRO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001121581123 934705092 /nfs/dbraw/zinc/70/50/92/934705092.db2.gz HSSFJDAMGSAOCS-QGZVFWFLSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001121650177 934726620 /nfs/dbraw/zinc/72/66/20/934726620.db2.gz HZRXDZKFKGVRRL-HSZRJFAPSA-N 1 0 394.567 3.644 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001121870109 934781000 /nfs/dbraw/zinc/78/10/00/934781000.db2.gz OJIXDJUPFORDFL-GREBRCKQSA-N 1 0 392.551 3.664 20 30 GHEDRO N#CC1(CCC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CCOCC1 ZINC000932072355 934815959 /nfs/dbraw/zinc/81/59/59/934815959.db2.gz OBIIZIIWELKQBN-RTBURBONSA-N 1 0 395.469 3.739 20 30 GHEDRO CN1CCC[C@@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1CCc1ccccc1 ZINC001122188559 934840630 /nfs/dbraw/zinc/84/06/30/934840630.db2.gz ANKVDFMIHQAXCJ-JOCHJYFZSA-N 1 0 398.514 3.679 20 30 GHEDRO Cc1c(NC(=O)[C@H]([NH3+])CCCC#N)cc(Br)cc1C(F)(F)F ZINC001122340775 934856137 /nfs/dbraw/zinc/85/61/37/934856137.db2.gz PPBGNAGTABMWME-LLVKDONJSA-N 1 0 378.192 3.736 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001122464880 934875990 /nfs/dbraw/zinc/87/59/90/934875990.db2.gz SHQAEFWPLUYQMT-LJQANCHMSA-N 1 0 378.524 3.584 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)C(C)(C)O)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001122596428 934912758 /nfs/dbraw/zinc/91/27/58/934912758.db2.gz UIJIBWFIZFELTO-GOSISDBHSA-N 1 0 389.588 3.573 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCN(c2nnc(C(C)(C)CC#N)n2CC2CC2)CC1 ZINC001123681150 935251418 /nfs/dbraw/zinc/25/14/18/935251418.db2.gz JSYXCGUUSOBROC-GOSISDBHSA-N 1 0 392.551 3.763 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC001125263905 935562450 /nfs/dbraw/zinc/56/24/50/935562450.db2.gz UPKMWDXACPEUET-UHFFFAOYSA-N 1 0 382.508 3.626 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3Br)CC2)cc1 ZINC001137636772 935651691 /nfs/dbraw/zinc/65/16/91/935651691.db2.gz MLNYCICQENMREM-UHFFFAOYSA-N 1 0 384.321 3.947 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1c1ccccc1 ZINC001137639572 935655307 /nfs/dbraw/zinc/65/53/07/935655307.db2.gz CAFKSKKJUCMFGJ-QZTJIDSGSA-N 1 0 399.288 3.709 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)c(C#N)c1 ZINC001137702514 935733318 /nfs/dbraw/zinc/73/33/18/935733318.db2.gz PSYPJQGHWYQKNE-NRFANRHFSA-N 1 0 381.501 3.647 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001137763433 935777014 /nfs/dbraw/zinc/77/70/14/935777014.db2.gz PQVPFVZJOKLTAY-HSZRJFAPSA-N 1 0 392.503 3.754 20 30 GHEDRO COC1CCN(c2ccc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)cc2)CC1 ZINC000829478222 935814703 /nfs/dbraw/zinc/81/47/03/935814703.db2.gz ZYKIWWBGQROMEY-UHFFFAOYSA-N 1 0 390.531 3.754 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SCC#N)cc2F)CC1 ZINC000829563523 935827338 /nfs/dbraw/zinc/82/73/38/935827338.db2.gz YYYSNJVXFVXYKO-UHFFFAOYSA-N 1 0 398.507 3.836 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000829649618 935838829 /nfs/dbraw/zinc/83/88/29/935838829.db2.gz DLRFXNNYSACOBN-XJKSGUPXSA-N 1 0 395.450 3.895 20 30 GHEDRO Cc1cc(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)nn1-c1cccc(C#N)c1 ZINC001626133100 1015027064 /nfs/dbraw/zinc/02/70/64/1015027064.db2.gz HMSZBNYSAARVBI-UHFFFAOYSA-N 1 0 391.519 3.579 20 30 GHEDRO CC[NH+]1CCN(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 ZINC000467987783 1015108147 /nfs/dbraw/zinc/10/81/47/1015108147.db2.gz GGUVIWQYOKIESL-UHFFFAOYSA-N 1 0 398.894 3.580 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000468259589 1015515607 /nfs/dbraw/zinc/51/56/07/1015515607.db2.gz KPRIPOIYNHYLNB-IRXDYDNUSA-N 1 0 380.492 3.701 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000468512767 1015766202 /nfs/dbraw/zinc/76/62/02/1015766202.db2.gz XWEOTKFGGAQWKY-QHCPKHFHSA-N 1 0 391.515 3.588 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000468512766 1015766438 /nfs/dbraw/zinc/76/64/38/1015766438.db2.gz XWEOTKFGGAQWKY-HSZRJFAPSA-N 1 0 391.515 3.588 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000468965481 1016284767 /nfs/dbraw/zinc/28/47/67/1016284767.db2.gz LZQVZHWABFMIQK-UONOGXRCSA-N 1 0 383.330 3.921 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000545790033 1016386527 /nfs/dbraw/zinc/38/65/27/1016386527.db2.gz AMKSCWBUKAGXBZ-OAHLLOKOSA-N 1 0 378.432 3.689 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000469850975 1016638403 /nfs/dbraw/zinc/63/84/03/1016638403.db2.gz XKAPRFGNYMPXNN-UKRRQHHQSA-N 1 0 383.330 3.582 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001226900893 1032183160 /nfs/dbraw/zinc/18/31/60/1032183160.db2.gz BEXCMUNKZFRDPA-QHCPKHFHSA-N 1 0 377.532 3.988 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(CC#N)cc1 ZINC001226901586 1032184676 /nfs/dbraw/zinc/18/46/76/1032184676.db2.gz IMSWEXLDOZUFIA-QFIPXVFZSA-N 1 0 378.520 3.708 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221035254 1032246207 /nfs/dbraw/zinc/24/62/07/1032246207.db2.gz YGEXDFZHEANGBC-NRFANRHFSA-N 1 0 395.478 3.712 20 30 GHEDRO N#C[C@@H](CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1c(Cl)cccc1Cl ZINC001221398786 1032396099 /nfs/dbraw/zinc/39/60/99/1032396099.db2.gz GDQVSGPFCKGRLU-CVEARBPZSA-N 1 0 388.298 3.821 20 30 GHEDRO N#C[C@H](c1ccc(N2CCN3CCc4ccccc4[C@@H]3C2)nn1)c1ccccc1F ZINC001155094592 1032411227 /nfs/dbraw/zinc/41/12/27/1032411227.db2.gz CTFXJMKQIDNXPS-REWPJTCUSA-N 1 0 399.473 3.691 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001155600879 1032594668 /nfs/dbraw/zinc/59/46/68/1032594668.db2.gz GVRKCGQWLJHZPF-ZUOKHONESA-N 1 0 388.874 3.778 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)ccc1OC ZINC000925397857 1017077882 /nfs/dbraw/zinc/07/78/82/1017077882.db2.gz RRXZRNPCXJVEPK-LPHOPBHVSA-N 1 0 391.475 3.808 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)ccc1OC ZINC000925398581 1017079065 /nfs/dbraw/zinc/07/90/65/1017079065.db2.gz ZFVZIRAFBOOJBD-OXJNMPFZSA-N 1 0 391.475 3.808 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)CC1 ZINC000558138984 1017124681 /nfs/dbraw/zinc/12/46/81/1017124681.db2.gz QOVXBHUJHLEKOV-UHFFFAOYSA-N 1 0 394.494 3.917 20 30 GHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](CCC)CC1 ZINC000558995095 1017332088 /nfs/dbraw/zinc/33/20/88/1017332088.db2.gz YAVOSDPSRCWRNZ-UHFFFAOYSA-N 1 0 392.507 3.708 20 30 GHEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000560260310 1017579795 /nfs/dbraw/zinc/57/97/95/1017579795.db2.gz QJPKRJPTUUERLB-GFCCVEGCSA-N 1 0 387.256 3.828 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000560515838 1017649494 /nfs/dbraw/zinc/64/94/94/1017649494.db2.gz MDCNSPYTNJHDSP-QAQDUYKDSA-N 1 0 381.476 3.808 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561185855 1017804242 /nfs/dbraw/zinc/80/42/42/1017804242.db2.gz KOSSTQGLWNVCAT-YMPRXVIZSA-N 1 0 388.515 3.974 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(c3ncco3)CC2)c1C#N ZINC000931447746 1017981802 /nfs/dbraw/zinc/98/18/02/1017981802.db2.gz WJKZARZUKHHGBX-UHFFFAOYSA-N 1 0 395.507 3.898 20 30 GHEDRO C[NH+]1CCC(Oc2ccnc(NC(=N)c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001155854217 1032744688 /nfs/dbraw/zinc/74/46/88/1032744688.db2.gz VWNIPBQXEITYTE-UHFFFAOYSA-N 1 0 378.398 3.610 20 30 GHEDRO N#C[C@]1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC12CCCC2 ZINC000562516235 1018256355 /nfs/dbraw/zinc/25/63/55/1018256355.db2.gz SIUSNAAODRXTSW-QHCPKHFHSA-N 1 0 394.519 3.914 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000778092185 1018350637 /nfs/dbraw/zinc/35/06/37/1018350637.db2.gz SWMLXYGCKKMQMI-GOSISDBHSA-N 1 0 384.842 3.574 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(CCC#N)cc3)CC2)cc1 ZINC000932584356 1018490988 /nfs/dbraw/zinc/49/09/88/1018490988.db2.gz VEKCZAGVULRICK-UHFFFAOYSA-N 1 0 392.503 3.891 20 30 GHEDRO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932707473 1018597271 /nfs/dbraw/zinc/59/72/71/1018597271.db2.gz KDBYVOUPKXVNPB-MSOLQXFVSA-N 1 0 379.545 3.570 20 30 GHEDRO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000932918698 1018752623 /nfs/dbraw/zinc/75/26/23/1018752623.db2.gz KMXPRBYJZRLOPL-YJBOKZPZSA-N 1 0 382.957 3.870 20 30 GHEDRO FC1(F)C[C@H]1OCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943935 1018773576 /nfs/dbraw/zinc/77/35/76/1018773576.db2.gz LJZPZQYLXJCTID-GJMOJQLCSA-N 1 0 389.233 3.513 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000566219686 1019219826 /nfs/dbraw/zinc/21/98/26/1019219826.db2.gz FIWLVRYRBUBHRC-UHFFFAOYSA-N 1 0 394.548 3.527 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cnccc2C#N)cc1)C[C@@H]1CCCCO1 ZINC000568557563 1019421871 /nfs/dbraw/zinc/42/18/71/1019421871.db2.gz HYHRITQFFURPGE-NRFANRHFSA-N 1 0 392.503 3.985 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000570862332 1019649283 /nfs/dbraw/zinc/64/92/83/1019649283.db2.gz LYFXJJOAHQENQI-ZHRRBRCNSA-N 1 0 397.544 3.927 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cc(C#N)c4ccccc4n3)cc2)CC1 ZINC000571561828 1019685517 /nfs/dbraw/zinc/68/55/17/1019685517.db2.gz UNLZGIFLUQHPHS-UHFFFAOYSA-N 1 0 399.498 3.889 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576223679 1019990270 /nfs/dbraw/zinc/99/02/70/1019990270.db2.gz HEOZCWINKFOZTD-AOIWGVFYSA-N 1 0 387.549 3.910 20 30 GHEDRO C[NH+](C)CCN(Cc1cnc(-c2ccccn2)s1)Cc1ccc(C#N)cc1 ZINC000576623088 1020045766 /nfs/dbraw/zinc/04/57/66/1020045766.db2.gz FOXZAZUTIGVXNZ-UHFFFAOYSA-N 1 0 377.517 3.641 20 30 GHEDRO CN1CCO[C@H]([C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccc(Cl)cc2)C1 ZINC000577328053 1020170452 /nfs/dbraw/zinc/17/04/52/1020170452.db2.gz SDKAXPOQTUAMDU-FSSWDIPSSA-N 1 0 381.907 3.860 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cl)cc1Cl ZINC000577366554 1020178195 /nfs/dbraw/zinc/17/81/95/1020178195.db2.gz YBPBAGPWVJHHPD-QGZVFWFLSA-N 1 0 392.330 3.956 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](c4cccnc4)C3)sc2C1 ZINC000578319756 1020343576 /nfs/dbraw/zinc/34/35/76/1020343576.db2.gz WWKHDRBFBZSWIH-NVXWUHKLSA-N 1 0 394.544 3.958 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000578319408 1020343849 /nfs/dbraw/zinc/34/38/49/1020343849.db2.gz KGEXWNMUZHPNAL-PZJWPPBQSA-N 1 0 376.504 3.823 20 30 GHEDRO C=CC[C@@H]1N(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCCC1(C)C ZINC001156190431 1032917377 /nfs/dbraw/zinc/91/73/77/1032917377.db2.gz MAYPTFGALOAMHN-IBGZPJMESA-N 1 0 384.524 3.510 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000077324727 1020621477 /nfs/dbraw/zinc/62/14/77/1020621477.db2.gz QMQVMBRRYUUOAA-UHFFFAOYSA-N 1 0 378.520 3.816 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1ccc(N2CC[NH2+]CC2)nn1 ZINC001156221304 1032929922 /nfs/dbraw/zinc/92/99/22/1032929922.db2.gz MUJSUUMFSAAVTA-LJQANCHMSA-N 1 0 398.514 3.526 20 30 GHEDRO CC(C)[C@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Br)cc1 ZINC000192372369 1020867189 /nfs/dbraw/zinc/86/71/89/1020867189.db2.gz WAPMNWWITIKNKR-MOPGFXCFSA-N 1 0 392.341 3.718 20 30 GHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634341267 1020947531 /nfs/dbraw/zinc/94/75/31/1020947531.db2.gz QLZJYTGPEQCMMH-UHFFFAOYSA-N 1 0 395.551 3.636 20 30 GHEDRO C[NH+](C)C[C@@H]1CCCN1Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140439719 1021711365 /nfs/dbraw/zinc/71/13/65/1021711365.db2.gz LZGZVVAFVKQINN-SFHVURJKSA-N 1 0 382.508 3.822 20 30 GHEDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@H]12 ZINC001140440650 1021715082 /nfs/dbraw/zinc/71/50/82/1021715082.db2.gz FFNYGHOEQYICCL-LXGCGDOSSA-N 1 0 381.476 3.763 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C2)C1 ZINC001140440416 1021715194 /nfs/dbraw/zinc/71/51/94/1021715194.db2.gz CFDRCEHWOYRWRE-HSZRJFAPSA-N 1 0 394.519 3.824 20 30 GHEDRO C#CC1CC[NH+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001140478979 1021775569 /nfs/dbraw/zinc/77/55/69/1021775569.db2.gz HDWVGTASTBFMRL-UHFFFAOYSA-N 1 0 383.536 3.589 20 30 GHEDRO COc1ccc(C[C@H]2CC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC001204633036 1033003043 /nfs/dbraw/zinc/00/30/43/1033003043.db2.gz PHEQCIKWRFAEFL-OAQYLSRUSA-N 1 0 387.487 3.684 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)C2 ZINC001140628642 1022108080 /nfs/dbraw/zinc/10/80/80/1022108080.db2.gz ZFCRFNJBSVZMBA-QUCCMNQESA-N 1 0 383.435 3.567 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3F)CC2)cc1 ZINC001140664974 1022210051 /nfs/dbraw/zinc/21/00/51/1022210051.db2.gz ZAIWIEVJXNTNPA-UHFFFAOYSA-N 1 0 379.479 3.914 20 30 GHEDRO N#Cc1c(F)cc(CN2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1F ZINC001140757484 1022447833 /nfs/dbraw/zinc/44/78/33/1022447833.db2.gz KYAUTRMUBHHVBP-OAQYLSRUSA-N 1 0 385.389 3.605 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC001156471649 1033051869 /nfs/dbraw/zinc/05/18/69/1033051869.db2.gz DLHCWJQDBOACRM-LJQANCHMSA-N 1 0 386.616 3.703 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(Br)c(C#N)c3)cc2)CC1 ZINC001204751119 1033067006 /nfs/dbraw/zinc/06/70/06/1033067006.db2.gz KIPNYVUZPNYOAM-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1Cl ZINC001140811547 1022600459 /nfs/dbraw/zinc/60/04/59/1022600459.db2.gz UCWGVKKXXAIKED-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO CN1CC[C@@]2(C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001140813828 1022611525 /nfs/dbraw/zinc/61/15/25/1022611525.db2.gz RZBRVTBPGZYBIE-KNQAVFIVSA-N 1 0 379.891 3.660 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000754373324 1022650793 /nfs/dbraw/zinc/65/07/93/1022650793.db2.gz HTLBAWVYDUDWPG-DNVCBOLYSA-N 1 0 382.533 3.768 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754741253 1022873178 /nfs/dbraw/zinc/87/31/78/1022873178.db2.gz ZZKVVTUWERVXML-KRWDZBQOSA-N 1 0 376.497 3.571 20 30 GHEDRO C#Cc1cccc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000836659519 1023219663 /nfs/dbraw/zinc/21/96/63/1023219663.db2.gz ZWZOWUREUHGLOA-UHFFFAOYSA-N 1 0 387.527 3.866 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(F)ccc(N)c3F)CC2)C1 ZINC001204847575 1033118126 /nfs/dbraw/zinc/11/81/26/1033118126.db2.gz CQOVVFLMWCZJGH-UHFFFAOYSA-N 1 0 379.451 3.548 20 30 GHEDRO C[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755876983 1023415731 /nfs/dbraw/zinc/41/57/31/1023415731.db2.gz ABGXMIHBLKCQDF-LVCYWYKZSA-N 1 0 378.472 3.779 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1)C(=O)OC(C)(C)C ZINC001141112497 1023528574 /nfs/dbraw/zinc/52/85/74/1023528574.db2.gz CSFGMMDVQXGNHW-NSHDSACASA-N 1 0 384.933 3.544 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]21 ZINC001141113859 1023530614 /nfs/dbraw/zinc/53/06/14/1023530614.db2.gz UETCBIAUZIJCAM-WCFLWFBJSA-N 1 0 396.944 3.590 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141114308 1023531800 /nfs/dbraw/zinc/53/18/00/1023531800.db2.gz LJDHSWOGFIZDAE-LLVKDONJSA-N 1 0 384.933 3.735 20 30 GHEDRO C#CCOCCC(=O)OC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000756562882 1023714642 /nfs/dbraw/zinc/71/46/42/1023714642.db2.gz QCHRIEXVHKCXOT-VQIMIIECSA-N 1 0 383.410 3.671 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000756997120 1023903339 /nfs/dbraw/zinc/90/33/39/1023903339.db2.gz VAKSYPDLDRARLC-IBGZPJMESA-N 1 0 385.305 3.737 20 30 GHEDRO CN(C)C(=O)O[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000830509211 1023960403 /nfs/dbraw/zinc/96/04/03/1023960403.db2.gz FDSRDACSTYJETG-NRFANRHFSA-N 1 0 377.488 3.659 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC001141152568 1023977241 /nfs/dbraw/zinc/97/72/41/1023977241.db2.gz JJQGPACXNUNBRC-IBGZPJMESA-N 1 0 378.419 3.541 20 30 GHEDRO N#Cc1cccc(-c2noc([C@@H](c3cc4ccccc4o3)N3CCC([NH3+])CC3)n2)c1 ZINC001204967331 1033186920 /nfs/dbraw/zinc/18/69/20/1033186920.db2.gz NDISTDKBNFYWCI-OAQYLSRUSA-N 1 0 399.454 3.867 20 30 GHEDRO C=CCC(F)(F)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000837215368 1024237902 /nfs/dbraw/zinc/23/79/02/1024237902.db2.gz JRSPQCVGNKHMLN-UHFFFAOYSA-N 1 0 397.897 3.664 20 30 GHEDRO C#CCC(C)(C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000837216211 1024242107 /nfs/dbraw/zinc/24/21/07/1024242107.db2.gz UFBAKGCXAMFKDK-UHFFFAOYSA-N 1 0 387.955 3.503 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC001138239637 1024442233 /nfs/dbraw/zinc/44/22/33/1024442233.db2.gz KMOIISZEUNNTSV-HXUWFJFHSA-N 1 0 392.883 3.679 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCCCC[NH3+] ZINC000831256904 1024456200 /nfs/dbraw/zinc/45/62/00/1024456200.db2.gz KUUGOVWETLEKKC-UHFFFAOYSA-N 1 0 386.309 3.805 20 30 GHEDRO COc1cc(C#N)nc(N(c2cc(OC)cc3cccnc32)[C@@H](C)CCC[NH3+])c1 ZINC001156750668 1033222476 /nfs/dbraw/zinc/22/24/76/1033222476.db2.gz PZRZJXGHECUFLN-HNNXBMFYSA-N 1 0 391.475 3.784 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2C[C@H](C(=O)OCC)[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC001138344075 1024705064 /nfs/dbraw/zinc/70/50/64/1024705064.db2.gz WLEOACOJJCAGBA-AQNXPRMDSA-N 1 0 385.504 3.509 20 30 GHEDRO C#CCOc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1OC ZINC001138345676 1024706660 /nfs/dbraw/zinc/70/66/60/1024706660.db2.gz LWIDGMWEFFOCSD-UHFFFAOYSA-N 1 0 384.907 3.678 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(N(C)C)s1)CC2 ZINC001138490096 1024921964 /nfs/dbraw/zinc/92/19/64/1024921964.db2.gz ZZJOYWUDLXQMQY-UHFFFAOYSA-N 1 0 377.554 3.815 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4ccc(OC)cc34)C2)C1 ZINC001138504479 1024939049 /nfs/dbraw/zinc/93/90/49/1024939049.db2.gz ZNBARPGUZCYGPP-QFIPXVFZSA-N 1 0 383.492 3.787 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(-n3ccnc3C)cc1)CC2 ZINC001138549689 1024997032 /nfs/dbraw/zinc/99/70/32/1024997032.db2.gz SNPZAENRWWGGBD-HSZRJFAPSA-N 1 0 378.520 3.714 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)cc1 ZINC001138559002 1025022084 /nfs/dbraw/zinc/02/20/84/1025022084.db2.gz CGGXGUAIYKODFS-UHFFFAOYSA-N 1 0 375.497 3.818 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)cc1 ZINC001138559257 1025022300 /nfs/dbraw/zinc/02/23/00/1025022300.db2.gz QONOFDQCLRJNJQ-UHFFFAOYSA-N 1 0 388.511 3.907 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001138560746 1025023001 /nfs/dbraw/zinc/02/30/01/1025023001.db2.gz LLVRAGXCBALRQU-FQEVSTJZSA-N 1 0 384.520 3.968 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCc3nc(C(=O)N(CC)CC)sc3CC2)c1O ZINC001138626132 1025124187 /nfs/dbraw/zinc/12/41/87/1025124187.db2.gz BAOZKGPRTKPOEF-UHFFFAOYSA-N 1 0 399.560 3.660 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCN(c3ccc(C(=O)OCC)cc3)CC2)c1O ZINC001138629481 1025131457 /nfs/dbraw/zinc/13/14/57/1025131457.db2.gz AGDMBCYVRHOBEU-UHFFFAOYSA-N 1 0 380.488 3.620 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc(N(CC)CC)s1)C2 ZINC001138801113 1025387589 /nfs/dbraw/zinc/38/75/89/1025387589.db2.gz LUVDLVABSXUVLB-UYAOXDASSA-N 1 0 379.570 3.563 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnc(N(CC)CC)s1)CC2 ZINC001138801641 1025388782 /nfs/dbraw/zinc/38/87/82/1025388782.db2.gz VCTFTPHLTQRLDY-HXUWFJFHSA-N 1 0 376.570 3.522 20 30 GHEDRO C=CCN1CCN(C(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 ZINC001156849557 1033277052 /nfs/dbraw/zinc/27/70/52/1033277052.db2.gz SITGFIIECGPVQG-UHFFFAOYSA-N 1 0 375.472 3.691 20 30 GHEDRO Cc1cnc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)c(/C=N/O)c1 ZINC001162052045 1025566391 /nfs/dbraw/zinc/56/63/91/1025566391.db2.gz KSHBBURZDWUPFP-LGJNPRDNSA-N 1 0 392.425 3.994 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(CNc3c(Br)cccc3C#N)cc2)CC1 ZINC001162145811 1025631168 /nfs/dbraw/zinc/63/11/68/1025631168.db2.gz CDBILICZSSQJGE-UHFFFAOYSA-N 1 0 399.336 3.680 20 30 GHEDRO N#Cc1cnc(NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC001162430803 1025745181 /nfs/dbraw/zinc/74/51/81/1025745181.db2.gz KFAHOGLPRARUJX-KRWDZBQOSA-N 1 0 385.855 3.981 20 30 GHEDRO CCOc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)ccc1OC(C)=O ZINC001139008988 1025758183 /nfs/dbraw/zinc/75/81/83/1025758183.db2.gz MFKSXFYRDZJZMA-FQEVSTJZSA-N 1 0 394.471 3.926 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@]2(CCN(C)C2=O)C1 ZINC001139028253 1025794927 /nfs/dbraw/zinc/79/49/27/1025794927.db2.gz QWSTZQWEOZGTOR-QPPBQGQZSA-N 1 0 376.500 3.699 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001139028588 1025796055 /nfs/dbraw/zinc/79/60/55/1025796055.db2.gz YGKGGYOYOJTSFK-UHFFFAOYSA-N 1 0 391.515 3.775 20 30 GHEDRO N#C[C@H](c1ccc(-n2cncc2-c2cccc(C[NH3+])c2)nn1)c1ccccc1F ZINC001162565356 1025797985 /nfs/dbraw/zinc/79/79/85/1025797985.db2.gz QBWGGECKNNZRRD-SFHVURJKSA-N 1 0 384.418 3.583 20 30 GHEDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1cc(Br)ccc1C#N ZINC001162604860 1025823991 /nfs/dbraw/zinc/82/39/91/1025823991.db2.gz CSAUTWDHTOEYFL-UHFFFAOYSA-N 1 0 399.336 3.579 20 30 GHEDRO S=C(NN=Cc1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000839393155 1025871173 /nfs/dbraw/zinc/87/11/73/1025871173.db2.gz QXNNEBRBWPBIAI-UHFFFAOYSA-N 1 0 392.981 3.864 20 30 GHEDRO C#CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001141632552 1025967887 /nfs/dbraw/zinc/96/78/87/1025967887.db2.gz FQPOOYXFHIZRGU-IBGZPJMESA-N 1 0 376.500 3.861 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001461048648 1069359596 /nfs/dbraw/zinc/35/95/96/1069359596.db2.gz YKPBYOFWKCVRFH-GPJHCHHRSA-N 1 0 382.548 3.632 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1[nH]c(CCCC)nc1Cl)CC2 ZINC001139179674 1026012403 /nfs/dbraw/zinc/01/24/03/1026012403.db2.gz FMCGJCILABQVCB-FQEVSTJZSA-N 1 0 378.948 3.939 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc4nsnc4c3)CC2)C1 ZINC001139208698 1026057066 /nfs/dbraw/zinc/05/70/66/1026057066.db2.gz ZJPKYINYBJZWNL-UHFFFAOYSA-N 1 0 386.521 3.692 20 30 GHEDRO c1ccc(C(=Nc2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)cn2)c2ccccc2)cc1 ZINC001163206214 1026087961 /nfs/dbraw/zinc/08/79/61/1026087961.db2.gz GQGPEMRGGXWFPK-QPPBQGQZSA-N 1 0 384.483 3.794 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163317663 1026141645 /nfs/dbraw/zinc/14/16/45/1026141645.db2.gz WDDQZSSLBWPWLK-VOJFVSQTSA-N 1 0 395.265 3.875 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)s3)C2)cc1 ZINC001139294334 1026146556 /nfs/dbraw/zinc/14/65/56/1026146556.db2.gz BKHOJBNQBWJGJC-HXUWFJFHSA-N 1 0 397.544 3.624 20 30 GHEDRO CCN(CC)C(=O)c1cc(Cl)nc(NC(C)=NCc2cccc(C[NH3+])c2)c1 ZINC001163471604 1026207549 /nfs/dbraw/zinc/20/75/49/1026207549.db2.gz AWPQCUQGDKBLGD-UHFFFAOYSA-N 1 0 387.915 3.706 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)nc3)C2)c1 ZINC001139345460 1026212020 /nfs/dbraw/zinc/21/20/20/1026212020.db2.gz MCCIWLVDTDNQNL-JOCHJYFZSA-N 1 0 376.504 3.987 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH+]3CCC(c4ccc(C#N)cc4)CC3)cn2)C[C@H](C)O1 ZINC001139387696 1026255456 /nfs/dbraw/zinc/25/54/56/1026255456.db2.gz FRVOUXQRWNHJRP-KDURUIRLSA-N 1 0 390.531 3.946 20 30 GHEDRO CCOC(=O)c1cc(NC(=N)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC001163685360 1026283117 /nfs/dbraw/zinc/28/31/17/1026283117.db2.gz KKXGHUWUZRYURV-UHFFFAOYSA-N 1 0 381.310 3.827 20 30 GHEDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139429566 1026299988 /nfs/dbraw/zinc/29/99/88/1026299988.db2.gz VIKRFXLXHNZXJU-IBGZPJMESA-N 1 0 379.460 3.911 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2CF)CC1 ZINC001139526605 1026383291 /nfs/dbraw/zinc/38/32/91/1026383291.db2.gz AMMZCBALXGDREL-SJORKVTESA-N 1 0 391.462 3.772 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001139527812 1026384263 /nfs/dbraw/zinc/38/42/63/1026384263.db2.gz POYAWAJPSPDYHK-XKCSPQBFSA-N 1 0 378.495 3.825 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3ncc(C(F)(F)F)cc13)C2 ZINC001139538334 1026399877 /nfs/dbraw/zinc/39/98/77/1026399877.db2.gz OFLAKESWXZLHND-QFBILLFUSA-N 1 0 395.425 3.908 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001461105722 1069392796 /nfs/dbraw/zinc/39/27/96/1069392796.db2.gz OGNJCXAGZLRIQD-UKILVPOCSA-N 1 0 387.527 3.986 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001164400756 1026507813 /nfs/dbraw/zinc/50/78/13/1026507813.db2.gz LFUKQLWACKNGGP-HNNXBMFYSA-N 1 0 377.673 3.520 20 30 GHEDRO N#Cc1c[nH]c2nc(Cl)nc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164485248 1026526235 /nfs/dbraw/zinc/52/62/35/1026526235.db2.gz HVESGNANSLEFED-BHYGNILZSA-N 1 0 392.894 3.805 20 30 GHEDRO N#CCc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] ZINC001164493827 1026532176 /nfs/dbraw/zinc/53/21/76/1026532176.db2.gz YDOAGRQLMFMASK-SESVDKBCSA-N 1 0 376.460 3.983 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CCN(C(=O)c5ccco5)C4)CC3)c[nH]c21 ZINC001139702155 1026547688 /nfs/dbraw/zinc/54/76/88/1026547688.db2.gz YHZNFKMTNFSFPW-UHFFFAOYSA-N 1 0 388.471 3.761 20 30 GHEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001139708264 1026552743 /nfs/dbraw/zinc/55/27/43/1026552743.db2.gz DPUYHNHYADMHQX-FQEVSTJZSA-N 1 0 397.563 3.585 20 30 GHEDRO Cc1nc(CN2CCC3(CC[NH+](Cc4ccc(C)c(C#N)c4)CC3)C2=O)cs1 ZINC001139724728 1026567423 /nfs/dbraw/zinc/56/74/23/1026567423.db2.gz NYAPSGKAVRCLOR-UHFFFAOYSA-N 1 0 394.544 3.646 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)cc1C#N ZINC001139725130 1026568572 /nfs/dbraw/zinc/56/85/72/1026568572.db2.gz DMAPOEMGXGWOAJ-YTFSRNRJSA-N 1 0 377.488 3.600 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001164625007 1026569198 /nfs/dbraw/zinc/56/91/98/1026569198.db2.gz GFAMHIOBXSSXBE-INIZCTEOSA-N 1 0 380.854 3.920 20 30 GHEDRO CCCc1cc(C#N)c(N2CCC([N@H+](CC)[C@H]3CCOC3)CC2)nc1Cl ZINC001165107311 1026610962 /nfs/dbraw/zinc/61/09/62/1026610962.db2.gz CQWGOYOGNFUJAV-SFHVURJKSA-N 1 0 376.932 3.639 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165266919 1026684466 /nfs/dbraw/zinc/68/44/66/1026684466.db2.gz WHHOJQZOYKOOQM-ZDUSSCGKSA-N 1 0 379.213 3.771 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@@H]21 ZINC001139874886 1026692225 /nfs/dbraw/zinc/69/22/25/1026692225.db2.gz QBNUNVWDVQJRTL-WTIAFYNJSA-N 1 0 378.495 3.825 20 30 GHEDRO Cc1ccc(CC#N)c(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165478819 1026740807 /nfs/dbraw/zinc/74/08/07/1026740807.db2.gz IXSJBPNQKOOETO-UNMCSNQZSA-N 1 0 380.467 3.644 20 30 GHEDRO CC(C)(C)N(c1nc(Cl)cc(Cl)c1C#N)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671848 1026792203 /nfs/dbraw/zinc/79/22/03/1026792203.db2.gz LKXZVNXJNGZMBX-LBPRGKRZSA-N 1 0 383.323 3.776 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001140018348 1026801043 /nfs/dbraw/zinc/80/10/43/1026801043.db2.gz SENLQRZGAOYRQN-DHIUTWEWSA-N 1 0 379.504 3.717 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3[nH]nc4ccc(OC)cc43)C2)CC1 ZINC001140066864 1026847979 /nfs/dbraw/zinc/84/79/79/1026847979.db2.gz YJQHONZZFAJWCE-UHFFFAOYSA-N 1 0 398.507 3.572 20 30 GHEDRO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c[nH]c5ccc(C#N)cc45)C3)CC2=O)c1 ZINC001140113540 1026894218 /nfs/dbraw/zinc/89/42/18/1026894218.db2.gz HWMGFDFVIPXHRC-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c[nH]c5ccc(C#N)cc45)C3)CC2=O)c1 ZINC001140113544 1026894677 /nfs/dbraw/zinc/89/46/77/1026894677.db2.gz HWMGFDFVIPXHRC-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](NC(=O)c4ccc(F)cc4)C3)c2c1 ZINC001140117252 1026898314 /nfs/dbraw/zinc/89/83/14/1026898314.db2.gz OQRRAIDKMBFMNT-LJQANCHMSA-N 1 0 376.435 3.573 20 30 GHEDRO CCn1c2ccccc2nc1N1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140116757 1026898391 /nfs/dbraw/zinc/89/83/91/1026898391.db2.gz GPQCPBJJGFDVAY-UHFFFAOYSA-N 1 0 384.487 3.731 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c(F)c1 ZINC001140137401 1026911434 /nfs/dbraw/zinc/91/14/34/1026911434.db2.gz HGBAMTUPAVVIAK-HSZRJFAPSA-N 1 0 375.447 3.598 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140138782 1026912952 /nfs/dbraw/zinc/91/29/52/1026912952.db2.gz RIGWZRZMZSCZAY-OFNKIYASSA-N 1 0 377.463 3.535 20 30 GHEDRO C#CCC1(C(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CCCCC1 ZINC000834341084 1026940122 /nfs/dbraw/zinc/94/01/22/1026940122.db2.gz BATBCSQAKSRWPK-UHFFFAOYSA-N 1 0 395.547 3.699 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N(CC#N)c2ccc(Cl)cc2)cc1 ZINC001461169978 1069424618 /nfs/dbraw/zinc/42/46/18/1069424618.db2.gz DXTJJYUNVQDISS-XGICHPGQSA-N 1 0 383.879 3.850 20 30 GHEDRO Cc1ccc(N(c2cc(C#N)cc(Cl)n2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166311883 1026971244 /nfs/dbraw/zinc/97/12/44/1026971244.db2.gz JOCXFXUFJJAHNX-UHFFFAOYSA-N 1 0 390.878 3.863 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccccc1Br)CC2 ZINC001203322035 1027275212 /nfs/dbraw/zinc/27/52/12/1027275212.db2.gz YUCAYBYBLUWYAQ-IBGZPJMESA-N 1 0 377.326 3.982 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccccc4F)C3)C2)c1 ZINC001203353386 1027289363 /nfs/dbraw/zinc/28/93/63/1027289363.db2.gz YXOSHLMHWNJSRX-QHCPKHFHSA-N 1 0 379.479 3.816 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC001141813445 1027347252 /nfs/dbraw/zinc/34/72/52/1027347252.db2.gz NZGNORHGVLYGFB-UHFFFAOYSA-N 1 0 384.321 3.681 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c(OC)c1OC ZINC001203466212 1027357014 /nfs/dbraw/zinc/35/70/14/1027357014.db2.gz NBXZDBDWEVSFAC-IBGZPJMESA-N 1 0 382.460 3.627 20 30 GHEDRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001203495580 1027380553 /nfs/dbraw/zinc/38/05/53/1027380553.db2.gz AGBNDRAWLACYCV-LJQANCHMSA-N 1 0 382.460 3.627 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2cccc(C#N)c2)CC3)cs1 ZINC001203760083 1027581594 /nfs/dbraw/zinc/58/15/94/1027581594.db2.gz BMJOMSOKUDPKGN-HXUWFJFHSA-N 1 0 383.517 3.664 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC001203762917 1027585669 /nfs/dbraw/zinc/58/56/69/1027585669.db2.gz YBUBIXLVVHXAKF-DHIUTWEWSA-N 1 0 377.488 3.541 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccc(Cl)c4)C3)C2)n1 ZINC001203798880 1027611356 /nfs/dbraw/zinc/61/13/56/1027611356.db2.gz LTRMYDAUOYASSV-JOCHJYFZSA-N 1 0 396.922 3.726 20 30 GHEDRO COc1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)ccc1OC(C)=O ZINC001203833092 1027642681 /nfs/dbraw/zinc/64/26/81/1027642681.db2.gz RORRSNWFJHTDBZ-UHFFFAOYSA-N 1 0 378.472 3.947 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)cc1 ZINC001203900959 1027693318 /nfs/dbraw/zinc/69/33/18/1027693318.db2.gz ASDPHRJGJFUMGJ-OAQYLSRUSA-N 1 0 377.488 3.651 20 30 GHEDRO N#Cc1ccc(CN2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001203901325 1027694555 /nfs/dbraw/zinc/69/45/55/1027694555.db2.gz LRJJMPVKYRRPGC-OAQYLSRUSA-N 1 0 382.458 3.687 20 30 GHEDRO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](Cc2ccc(C#N)cc2)C3)n1 ZINC001203901953 1027694916 /nfs/dbraw/zinc/69/49/16/1027694916.db2.gz ULGLJBAIJVDPJS-BJKOFHAPSA-N 1 0 391.515 3.850 20 30 GHEDRO CSc1nc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)ccc1C#N ZINC001141934730 1027700246 /nfs/dbraw/zinc/70/02/46/1027700246.db2.gz WMLRNYZQRQTYBN-UTKZUKDTSA-N 1 0 380.517 3.751 20 30 GHEDRO CSc1nc(C[N@H+](C)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)ccc1C#N ZINC001141943843 1027721876 /nfs/dbraw/zinc/72/18/76/1027721876.db2.gz MSGIIBOMXMUMFN-SJORKVTESA-N 1 0 390.553 3.943 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+](Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1 ZINC001141970741 1027774212 /nfs/dbraw/zinc/77/42/12/1027774212.db2.gz KDYYKOBRTYLXRR-GOSISDBHSA-N 1 0 378.497 3.724 20 30 GHEDRO CCC1=NC2(CC[NH+](Cc3ccc(C#Cc4ccccc4)s3)CC2)C(=O)N1C ZINC001141977948 1027793522 /nfs/dbraw/zinc/79/35/22/1027793522.db2.gz UKTYWXSYVRHZNO-UHFFFAOYSA-N 1 0 391.540 3.763 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2COc3c(F)cc(F)cc3C2)c1 ZINC001204020216 1027810102 /nfs/dbraw/zinc/81/01/02/1027810102.db2.gz KNUQMFYIUCECKQ-CQSZACIVSA-N 1 0 379.204 3.692 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1 ZINC000840800256 1027838870 /nfs/dbraw/zinc/83/88/70/1027838870.db2.gz FFBNYIPFMSZZIM-QFBILLFUSA-N 1 0 395.927 3.884 20 30 GHEDRO CC[C@H](CNC(=O)N(C)CCc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC001211269062 1027876009 /nfs/dbraw/zinc/87/60/09/1027876009.db2.gz MOWPXECYWCLRGI-HSZRJFAPSA-N 1 0 390.531 3.579 20 30 GHEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccn3c(Br)cnc3c2)no1 ZINC001211436412 1027957788 /nfs/dbraw/zinc/95/77/88/1027957788.db2.gz KFXZTFYUJSJETE-UHFFFAOYSA-N 1 0 388.269 3.646 20 30 GHEDRO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000840962454 1027995972 /nfs/dbraw/zinc/99/59/72/1027995972.db2.gz COXDQZBJCKXWST-BPUDTRNYSA-N 1 0 393.531 3.604 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000841201473 1028273845 /nfs/dbraw/zinc/27/38/45/1028273845.db2.gz XTCBSJVXIJIPHY-SJKOYZFVSA-N 1 0 390.365 3.731 20 30 GHEDRO CC(C)Oc1ccc(-c2ccc(NC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c(F)c2)cc1 ZINC000841249644 1028334057 /nfs/dbraw/zinc/33/40/57/1028334057.db2.gz MHMITRMEJUCHAI-OXJNMPFZSA-N 1 0 382.439 3.513 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)c1 ZINC000841310076 1028403613 /nfs/dbraw/zinc/40/36/13/1028403613.db2.gz DMINOYLLVNXXIO-IBGZPJMESA-N 1 0 396.491 3.807 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001214145317 1028567470 /nfs/dbraw/zinc/56/74/70/1028567470.db2.gz GIPUKDZHDBSJSY-UHFFFAOYSA-N 1 0 393.331 3.943 20 30 GHEDRO CC(=NNc1cc(CO)ccc1Br)c1cccc(C[NH+](C)C)c1 ZINC000841653575 1028801037 /nfs/dbraw/zinc/80/10/37/1028801037.db2.gz ISVUFYOGDSDKFF-UHFFFAOYSA-N 1 0 376.298 3.839 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC001142416645 1028858233 /nfs/dbraw/zinc/85/82/33/1028858233.db2.gz CVWDKAQJANOTNK-FQEVSTJZSA-N 1 0 377.532 3.760 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC001214805557 1028917734 /nfs/dbraw/zinc/91/77/34/1028917734.db2.gz PHIPNTPYKHAABX-ZDUSSCGKSA-N 1 0 386.348 3.659 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccncc1 ZINC000841824410 1028969124 /nfs/dbraw/zinc/96/91/24/1028969124.db2.gz FGVPSDMYPSMDHG-HLAWJBBLSA-N 1 0 382.483 3.530 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c2)s1 ZINC000841830725 1028970582 /nfs/dbraw/zinc/97/05/82/1028970582.db2.gz MTWWLLRSRCYYFE-NRFANRHFSA-N 1 0 380.517 3.572 20 30 GHEDRO C(=NOCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000842020076 1029032708 /nfs/dbraw/zinc/03/27/08/1029032708.db2.gz GFQDLIUNRYBZNS-UHFFFAOYSA-N 1 0 375.476 3.804 20 30 GHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC001461489792 1069573964 /nfs/dbraw/zinc/57/39/64/1069573964.db2.gz AUJJKMXYJFTHLJ-STQMWFEESA-N 1 0 377.337 3.606 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC001215509224 1029245808 /nfs/dbraw/zinc/24/58/08/1029245808.db2.gz ZPQUBDQQMXINAT-FQEVSTJZSA-N 1 0 397.494 3.912 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001215509217 1029246162 /nfs/dbraw/zinc/24/61/62/1029246162.db2.gz ZLYLPADPVFIVSD-GOSISDBHSA-N 1 0 395.478 3.824 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001215510603 1029246863 /nfs/dbraw/zinc/24/68/63/1029246863.db2.gz VPRVMPSHEXPSDG-LJQANCHMSA-N 1 0 381.451 3.542 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCOc3ccc(C#N)cc3)C[C@H]2C1 ZINC000842683887 1029491546 /nfs/dbraw/zinc/49/15/46/1029491546.db2.gz FCEODCSSZDRTCR-GBESFXJTSA-N 1 0 385.508 3.562 20 30 GHEDRO C(#Cc1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1)c1ccccc1 ZINC001216155261 1029543702 /nfs/dbraw/zinc/54/37/02/1029543702.db2.gz RFEXVGAHQRZPKH-UHFFFAOYSA-N 1 0 378.435 3.844 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142916370 1029688645 /nfs/dbraw/zinc/68/86/45/1029688645.db2.gz SYAKGLDWVJPXGX-SJLPKXTDSA-N 1 0 380.492 3.728 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@]4(CCN(c5ccsc5)C4=O)C3)c[nH]c2c1 ZINC001142917108 1029690622 /nfs/dbraw/zinc/69/06/22/1029690622.db2.gz RVLUJMLPOLESAL-OAQYLSRUSA-N 1 0 376.485 3.730 20 30 GHEDRO N#Cc1ccc(-c2noc(-c3cccc(CN4CC[NH2+]CC4)c3)n2)c2ccccc12 ZINC001216762012 1029923311 /nfs/dbraw/zinc/92/33/11/1029923311.db2.gz UIWHDFPOSSESDZ-UHFFFAOYSA-N 1 0 395.466 3.834 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNCC1([NH+](C)C)CCCCC1 ZINC000320041389 1029986889 /nfs/dbraw/zinc/98/68/89/1029986889.db2.gz OWTRABZIVSVRGG-UHFFFAOYSA-N 1 0 379.342 3.815 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(C(F)(F)F)c(OC)c3)C2)CC1 ZINC001143342409 1030049575 /nfs/dbraw/zinc/04/95/75/1030049575.db2.gz IYFSRVDMJAPPNU-UHFFFAOYSA-N 1 0 398.425 3.934 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)cn2)cc1 ZINC001222602295 1030228186 /nfs/dbraw/zinc/22/81/86/1030228186.db2.gz NCOMSQBFLBWPGV-HSZRJFAPSA-N 1 0 396.494 3.935 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001217945710 1030678878 /nfs/dbraw/zinc/67/88/78/1030678878.db2.gz CUQBHJSBJKNGJB-NYPDKFTISA-N 1 0 385.435 3.766 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CCC[NH2+]C[C@@H]2C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001217996511 1030712117 /nfs/dbraw/zinc/71/21/17/1030712117.db2.gz SZBIOVYUGAEGMI-NWZDLWMRSA-N 1 0 397.471 3.769 20 30 GHEDRO C=CCc1c(O[C@H](C)C2CC[NH2+]CC2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218006695 1030717496 /nfs/dbraw/zinc/71/74/96/1030717496.db2.gz RRCAESJKCPLMST-QGZVFWFLSA-N 1 0 389.499 3.881 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[NH2+]CC[C@H]2F)c1 ZINC001218020657 1030727257 /nfs/dbraw/zinc/72/72/57/1030727257.db2.gz CGCSEZJLDIAOMG-WOJBJXKFSA-N 1 0 397.446 3.868 20 30 GHEDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@H]2F)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218065442 1030753255 /nfs/dbraw/zinc/75/32/55/1030753255.db2.gz WUOBURRIXMKJBC-CAEUTJBRSA-N 1 0 385.435 3.690 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3Cc4ccc(C#N)cc4C3)C[C@@H]2C1 ZINC001461705549 1069690496 /nfs/dbraw/zinc/69/04/96/1069690496.db2.gz SAXVLOILTKRKCP-FYZZASKESA-N 1 0 381.520 3.651 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[C@]34CC[NH2+]C4)c(C#N)c2)nc1C ZINC001218117898 1030781154 /nfs/dbraw/zinc/78/11/54/1030781154.db2.gz NCQWGWUJZNMQHE-DYESRHJHSA-N 1 0 397.500 3.688 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[C@]23CC[NH2+]C3)c1C(=O)/C=C/c1ccccc1 ZINC001218120534 1030783114 /nfs/dbraw/zinc/78/31/14/1030783114.db2.gz UFWCRBVGVHAHKJ-OBGAVYJBSA-N 1 0 379.456 3.818 20 30 GHEDRO COc1cc(O)cc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C(=O)/C=C/c1ccccc1 ZINC001218186654 1030814039 /nfs/dbraw/zinc/81/40/39/1030814039.db2.gz URQGFJGOKAAHOW-ZCQDSNCFSA-N 1 0 379.456 3.959 20 30 GHEDRO COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O[C@H]1C[NH2+]C[C@@H]1C#N ZINC001218201164 1030825236 /nfs/dbraw/zinc/82/52/36/1030825236.db2.gz PKBWUIYRYVHHSJ-UDNXBLAOSA-N 1 0 399.535 3.574 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(C)c(C)cc1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001218203955 1030828150 /nfs/dbraw/zinc/82/81/50/1030828150.db2.gz KKIYDUKTJHMNGW-FIYNHDKVSA-N 1 0 379.456 3.908 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(C(F)(F)F)cc1I ZINC001218206793 1030829847 /nfs/dbraw/zinc/82/98/47/1030829847.db2.gz NYMNYZBIZBKAQF-LBPRGKRZSA-N 1 0 383.151 3.607 20 30 GHEDRO C=CCC[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001224087585 1030876900 /nfs/dbraw/zinc/87/69/00/1030876900.db2.gz VTLWBOFVJDGLNT-JOCHJYFZSA-N 1 0 384.568 3.729 20 30 GHEDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001218318185 1030890943 /nfs/dbraw/zinc/89/09/43/1030890943.db2.gz VTRFKFQINFZTQX-ZVYZCIRASA-N 1 0 395.455 3.523 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001224170838 1030910748 /nfs/dbraw/zinc/91/07/48/1030910748.db2.gz RBZIWOKLZYIXET-VGSWGCGISA-N 1 0 378.472 3.772 20 30 GHEDRO C=CC[C@H](Oc1cc(C[C@H](N)C(=O)OC)ccc1O)c1ccc(Cl)cc1 ZINC001218443531 1030938858 /nfs/dbraw/zinc/93/88/58/1030938858.db2.gz STSZGBMBUUDLPH-WMZOPIPTSA-N 1 0 375.852 3.785 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(OC)c(OC)cc1C(=O)Oc1ccccc1 ZINC001218457370 1030944362 /nfs/dbraw/zinc/94/43/62/1030944362.db2.gz LSSAOJSEPPKWLP-RTBURBONSA-N 1 0 397.471 3.999 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Br)ccnc1Br ZINC001218458047 1030944403 /nfs/dbraw/zinc/94/44/03/1030944403.db2.gz CRTORNYMDBFWQN-GHMZBOCLSA-N 1 0 376.092 3.682 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2ccc(OC)cc2C(=O)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001218819686 1031097721 /nfs/dbraw/zinc/09/77/21/1031097721.db2.gz NLMHQVHBPWDUJG-JOCHJYFZSA-N 1 0 396.874 3.664 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc1OC ZINC001152411138 1031224695 /nfs/dbraw/zinc/22/46/95/1031224695.db2.gz NJANGYZTBYQDSV-FQEVSTJZSA-N 1 0 380.488 3.573 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC001219109947 1031256135 /nfs/dbraw/zinc/25/61/35/1031256135.db2.gz IVIKYYSDXGWUPJ-CQSZACIVSA-N 1 0 381.329 3.753 20 30 GHEDRO CCc1cc(C(=O)Nc2cc(F)ccc2OCC2CC[NH2+]CC2)ccc1C#N ZINC001219129387 1031264861 /nfs/dbraw/zinc/26/48/61/1031264861.db2.gz QWRPXEJGKCTOAA-UHFFFAOYSA-N 1 0 381.451 3.890 20 30 GHEDRO CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219308913 1031349548 /nfs/dbraw/zinc/34/95/48/1031349548.db2.gz OTBKIDNRLOOPBI-NRFANRHFSA-N 1 0 393.607 3.750 20 30 GHEDRO Cc1nc(OC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c(C)c1Br ZINC001226205785 1031851819 /nfs/dbraw/zinc/85/18/19/1031851819.db2.gz VKPOBRDIHOOOQE-UHFFFAOYSA-N 1 0 387.281 3.775 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001220663569 1032050460 /nfs/dbraw/zinc/05/04/60/1032050460.db2.gz IJRLUPHDJWSBBQ-VGSWGCGISA-N 1 0 392.499 3.779 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1C[C@@H](Cc2cccc(C)c2)C[NH2+]1 ZINC001220664020 1032051896 /nfs/dbraw/zinc/05/18/96/1032051896.db2.gz UNCRVIZVTZBBMB-UZKOGDIHSA-N 1 0 378.516 3.958 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1F ZINC001461837951 1069781624 /nfs/dbraw/zinc/78/16/24/1069781624.db2.gz LECDMPXEPOHXJJ-XMSQKQJNSA-N 1 0 381.495 3.895 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc2c(cc1O)oc(=O)cc2-c1ccccc1 ZINC001229267494 1033380665 /nfs/dbraw/zinc/38/06/65/1033380665.db2.gz MJADXLDDWBVQJD-MRXNPFEDSA-O 1 0 379.436 3.533 20 30 GHEDRO CCn1c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(C)c(C#N)c1=O ZINC001229326072 1033416051 /nfs/dbraw/zinc/41/60/51/1033416051.db2.gz TVLWVKRAJXUURX-PMOLBWCYSA-N 1 0 377.488 3.623 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)c1ccc2c(C#N)c[nH]c2c1)c1ccc(Cl)cc1 ZINC001157128200 1033427962 /nfs/dbraw/zinc/42/79/62/1033427962.db2.gz RNPXWMABQOADDQ-KRWDZBQOSA-N 1 0 380.879 3.768 20 30 GHEDRO N#CCc1ccc(OCc2ccc(-n3cc(CC[NH3+])c4cc(O)ccc43)nc2)cc1 ZINC001157220436 1033479129 /nfs/dbraw/zinc/47/91/29/1033479129.db2.gz LYTCRVIDYDBEGH-UHFFFAOYSA-N 1 0 398.466 3.877 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC001157647722 1033705029 /nfs/dbraw/zinc/70/50/29/1033705029.db2.gz RSJWKRZAZIIPRY-UHFFFAOYSA-N 1 0 391.487 3.565 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC(C)([NH+]4CCCC4)CC3)nn2)cc1 ZINC001157652210 1033706155 /nfs/dbraw/zinc/70/61/55/1033706155.db2.gz HHGKQRPFIVMXQV-FQEVSTJZSA-N 1 0 375.520 3.895 20 30 GHEDRO N#CCc1ccnc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001157666373 1033710331 /nfs/dbraw/zinc/71/03/31/1033710331.db2.gz YAMXWQKAGWJPFZ-UHFFFAOYSA-N 1 0 390.531 3.798 20 30 GHEDRO C[C@H]1[C@H]([NH3+])CCCN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001157744398 1033748857 /nfs/dbraw/zinc/74/88/57/1033748857.db2.gz FXSNHCGQNZBDBT-XHDPSFHLSA-N 1 0 377.826 3.530 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001230200805 1033941895 /nfs/dbraw/zinc/94/18/95/1033941895.db2.gz MAMANDHUEDMELT-GGAORHGYSA-N 1 0 388.515 3.852 20 30 GHEDRO COc1ccc(CN(c2nc3c(cc2C#N)CCC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158158632 1033944077 /nfs/dbraw/zinc/94/40/77/1033944077.db2.gz QQORZKUFBQELFA-MXVIHJGJSA-N 1 0 376.504 3.727 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)C12CCOCC2 ZINC001206695080 1033948241 /nfs/dbraw/zinc/94/82/41/1033948241.db2.gz XAXITUHIEBJOJS-IRXDYDNUSA-N 1 0 377.529 3.512 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCO[C@H](C[NH+]4CCCC4)C3)c12 ZINC001158314765 1034017784 /nfs/dbraw/zinc/01/77/84/1034017784.db2.gz LQLROMJSSFOECY-CQSZACIVSA-N 1 0 388.874 3.508 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H](C)C[NH+](C)C)c1OC ZINC001230440195 1034058479 /nfs/dbraw/zinc/05/84/79/1034058479.db2.gz LQWIVGKTRFIHHY-AYJWMTRPSA-N 1 0 385.460 3.634 20 30 GHEDRO C=C(Cl)C[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)OCC ZINC001207129746 1034114290 /nfs/dbraw/zinc/11/42/90/1034114290.db2.gz RDKYRTXTMNPICJ-LWYYNNOASA-N 1 0 376.928 3.703 20 30 GHEDRO C=CCN(CC[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001207205969 1034174668 /nfs/dbraw/zinc/17/46/68/1034174668.db2.gz QEXDCNBPNGLBIG-QGZVFWFLSA-N 1 0 397.560 3.598 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(CC[NH+]3CCN(c4ccc(C#N)cc4)CC3)(C1)C2 ZINC001207229616 1034195342 /nfs/dbraw/zinc/19/53/42/1034195342.db2.gz SNEWLGSJSDNLPO-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO CCOC(=O)[C@@H](C)Oc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001230891665 1034275317 /nfs/dbraw/zinc/27/53/17/1034275317.db2.gz UFRKTVWNQBBRDN-VGOFRKELSA-N 1 0 394.471 3.542 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)C1 ZINC001207349663 1034296779 /nfs/dbraw/zinc/29/67/79/1034296779.db2.gz GNVSBCFASWEZIQ-KRWDZBQOSA-N 1 0 393.491 3.907 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)cc1CC)CC2 ZINC001277473429 1034302686 /nfs/dbraw/zinc/30/26/86/1034302686.db2.gz AQCCQTJGIALTMJ-SFHVURJKSA-N 1 0 391.353 3.916 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCc1ccc(Br)cc1)C2 ZINC001207381324 1034326890 /nfs/dbraw/zinc/32/68/90/1034326890.db2.gz JCNBDRXNCNPLMR-OALUTQOASA-N 1 0 380.326 3.818 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001158914811 1034335644 /nfs/dbraw/zinc/33/56/44/1034335644.db2.gz KHGCUSDNUNXQKU-GOSISDBHSA-N 1 0 380.492 3.716 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001277487335 1034403327 /nfs/dbraw/zinc/40/33/27/1034403327.db2.gz HXJVVZJOPFCQDX-QZTJIDSGSA-N 1 0 385.920 3.662 20 30 GHEDRO N#Cc1cc(Nc2ccc3nnc(-c4cccc(F)c4)n3c2)cc(C2C[NH2+]C2)c1 ZINC001159365454 1034566461 /nfs/dbraw/zinc/56/64/61/1034566461.db2.gz GKRHZXYYVSGEQN-UHFFFAOYSA-N 1 0 384.418 3.837 20 30 GHEDRO Cn1nc(Br)c2cc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)ccc21 ZINC001159557229 1034663103 /nfs/dbraw/zinc/66/31/03/1034663103.db2.gz GTVKWBLOCMXAMQ-UHFFFAOYSA-N 1 0 382.265 3.638 20 30 GHEDRO CC1(C)OC[C@H](C[N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)O1 ZINC001207932320 1034664826 /nfs/dbraw/zinc/66/48/26/1034664826.db2.gz TVVNDBNELLZYFP-YADHBBJMSA-N 1 0 376.500 3.970 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159653346 1034703252 /nfs/dbraw/zinc/70/32/52/1034703252.db2.gz HKNTZCHEJPVPON-KRWDZBQOSA-N 1 0 390.865 3.953 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)c1 ZINC001231622333 1034781312 /nfs/dbraw/zinc/78/13/12/1034781312.db2.gz WRIJKYVJYQHMOC-XMMPIXPASA-N 1 0 391.515 3.804 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CCO2 ZINC001208215444 1034805834 /nfs/dbraw/zinc/80/58/34/1034805834.db2.gz GZZQWQRZXZXLMA-KKLQWCBXSA-N 1 0 387.520 3.668 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CCO2 ZINC001208215442 1034806375 /nfs/dbraw/zinc/80/63/75/1034806375.db2.gz GZZQWQRZXZXLMA-JXHRLWIKSA-N 1 0 387.520 3.668 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)c1 ZINC001231656289 1034812995 /nfs/dbraw/zinc/81/29/95/1034812995.db2.gz ZROBRINZCPNCBD-UHFFFAOYSA-N 1 0 396.538 3.968 20 30 GHEDRO N#Cc1c(F)c(I)ccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001160033220 1034837465 /nfs/dbraw/zinc/83/74/65/1034837465.db2.gz FGDRRVCXOZIAOP-UHFFFAOYSA-N 1 0 393.203 3.691 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCN(CC)C(=O)OC(C)(C)C)[C@H]2CC ZINC001208369556 1034872932 /nfs/dbraw/zinc/87/29/32/1034872932.db2.gz QKPFXTYNYHGNHX-AVRDEDQJSA-N 1 0 393.572 3.665 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC001208434402 1034894450 /nfs/dbraw/zinc/89/44/50/1034894450.db2.gz UHUQOIRBFCJYRL-UHFFFAOYSA-N 1 0 390.524 3.697 20 30 GHEDRO CSc1ccccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001231785198 1034908266 /nfs/dbraw/zinc/90/82/66/1034908266.db2.gz YSFLVTDEKXJYKE-QFIPXVFZSA-N 1 0 377.513 3.909 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001231816157 1034926698 /nfs/dbraw/zinc/92/66/98/1034926698.db2.gz JXPMQGQYBDVAKN-HXUWFJFHSA-N 1 0 386.540 3.868 20 30 GHEDRO Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC001231818517 1034927312 /nfs/dbraw/zinc/92/73/12/1034927312.db2.gz CAGXWYZERYWAMG-UHFFFAOYSA-N 1 0 389.547 3.972 20 30 GHEDRO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231821705 1034929308 /nfs/dbraw/zinc/92/93/08/1034929308.db2.gz JQNISWVGWGRAGI-FXAWDEMLSA-N 1 0 386.540 3.914 20 30 GHEDRO CCOC(=O)c1cc(C)nc(Nc2ccc(C[NH3+])cc2C(F)(F)F)c1C#N ZINC001160418293 1034967482 /nfs/dbraw/zinc/96/74/82/1034967482.db2.gz VKYKGPQXBKNXRG-UHFFFAOYSA-N 1 0 378.354 3.660 20 30 GHEDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001160667800 1035029475 /nfs/dbraw/zinc/02/94/75/1035029475.db2.gz OOCFUVBMDWRMNG-OAHLLOKOSA-N 1 0 375.432 3.616 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c1 ZINC001208850101 1035056902 /nfs/dbraw/zinc/05/69/02/1035056902.db2.gz XDKXJCAJXUXAMV-BJKOFHAPSA-N 1 0 391.515 3.726 20 30 GHEDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208851603 1035057769 /nfs/dbraw/zinc/05/77/69/1035057769.db2.gz AFVLPTGNPWAVIR-HSZRJFAPSA-N 1 0 387.527 3.971 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)cc1 ZINC001208858481 1035062764 /nfs/dbraw/zinc/06/27/64/1035062764.db2.gz GJVSXFWTRDVGEA-XMMPIXPASA-N 1 0 388.515 3.543 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](CCc2ccc(C#N)cc2)CC3)cs1 ZINC001208927009 1035091886 /nfs/dbraw/zinc/09/18/86/1035091886.db2.gz NXKMCPPKQBFNGT-NRFANRHFSA-N 1 0 397.544 3.706 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](CCc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC001208927183 1035093371 /nfs/dbraw/zinc/09/33/71/1035093371.db2.gz RYFMQFTZZKGREN-NRFANRHFSA-N 1 0 387.527 3.758 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC001208929968 1035093379 /nfs/dbraw/zinc/09/33/79/1035093379.db2.gz WTNVMDMVRXDINP-IRXDYDNUSA-N 1 0 397.441 3.878 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C2)C1 ZINC001232112786 1035101302 /nfs/dbraw/zinc/10/13/02/1035101302.db2.gz JYYGMXRUHBKMLA-MRXNPFEDSA-N 1 0 375.900 3.900 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNc1cc(C(=O)NCc2ccccc2)cc(Cl)n1 ZINC001160953229 1035104244 /nfs/dbraw/zinc/10/42/44/1035104244.db2.gz XSWNHGFBFOFQRH-SFHVURJKSA-N 1 0 384.911 3.727 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)cc1Cl ZINC001232117524 1035104627 /nfs/dbraw/zinc/10/46/27/1035104627.db2.gz BRXRXWJAXHRODY-LJQANCHMSA-N 1 0 379.891 3.850 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC001232114955 1035104721 /nfs/dbraw/zinc/10/47/21/1035104721.db2.gz ANNNBADWYHFTNV-DLBZAZTESA-N 1 0 375.900 3.900 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160974277 1035109596 /nfs/dbraw/zinc/10/95/96/1035109596.db2.gz YVLYONAKROFCHM-KRWDZBQOSA-N 1 0 389.531 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001208972529 1035135620 /nfs/dbraw/zinc/13/56/20/1035135620.db2.gz JAWWMNPWRCPLFG-IBGZPJMESA-N 1 0 379.545 3.951 20 30 GHEDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3nc(Cl)c(Cl)cc3C#N)C2)c1 ZINC001161188443 1035172575 /nfs/dbraw/zinc/17/25/75/1035172575.db2.gz YJAGHQVXKMPFKF-AWEZNQCLSA-N 1 0 377.275 3.955 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)nc1NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161242758 1035189749 /nfs/dbraw/zinc/18/97/49/1035189749.db2.gz GBDDCBXHCPIGGC-UHFFFAOYSA-N 1 0 376.291 3.979 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCCNC(=O)OC(C)(C)C)[C@H]2CC ZINC001209364187 1035255287 /nfs/dbraw/zinc/25/52/87/1035255287.db2.gz UQJLQHDUBSPYIG-AVRDEDQJSA-N 1 0 393.572 3.713 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209370272 1035257472 /nfs/dbraw/zinc/25/74/72/1035257472.db2.gz KNFVADDBRHYVAV-UGKGYDQZSA-N 1 0 396.572 3.755 20 30 GHEDRO N#C[C@@H](c1ccc(N2CCC([NH3+])(CC3CCC3)CC2)nn1)c1ccccc1F ZINC001161575798 1035262355 /nfs/dbraw/zinc/26/23/55/1035262355.db2.gz FDMZOZASVFGQDX-GOSISDBHSA-N 1 0 379.483 3.759 20 30 GHEDRO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[C@H](C)O1 ZINC001209389504 1035266018 /nfs/dbraw/zinc/26/60/18/1035266018.db2.gz UQTDPWVSEBXLIB-DAVFGYKESA-N 1 0 397.563 3.681 20 30 GHEDRO C=CCCCCCC[N@@H+]1CCc2cc(C(=O)OC)c(-c3cnn(C)c3)nc2CC1 ZINC001209436420 1035273785 /nfs/dbraw/zinc/27/37/85/1035273785.db2.gz WAWAWIFJUJAUEV-UHFFFAOYSA-N 1 0 396.535 3.806 20 30 GHEDRO C=CCCCCCC[N@@H+]1Cc2cn(CC3CCOCC3)nc2[C@@H](COC)C1 ZINC001209435053 1035274007 /nfs/dbraw/zinc/27/40/07/1035274007.db2.gz DRHYKLBUQWDKAC-OAQYLSRUSA-N 1 0 375.557 3.992 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)N1CCCC1)CCO2 ZINC001209438234 1035274633 /nfs/dbraw/zinc/27/46/33/1035274633.db2.gz CMPDLAVYQFWLLV-IFMALSPDSA-N 1 0 377.573 3.942 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)cc2n1 ZINC001209582023 1035317813 /nfs/dbraw/zinc/31/78/13/1035317813.db2.gz LBFSNENUICNOSJ-KRWDZBQOSA-N 1 0 377.492 3.864 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(Cl)c(Br)c3)CC2)C1=O ZINC001276656388 1035326500 /nfs/dbraw/zinc/32/65/00/1035326500.db2.gz HKKAJSFGGRMNRX-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Cl)c(Br)c1 ZINC001276658104 1035331726 /nfs/dbraw/zinc/33/17/26/1035331726.db2.gz XNVPXRGQHBIIFR-SFHVURJKSA-N 1 0 395.728 3.693 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4c[nH]c5cc(F)ccc45)C3)CC2=O)c1 ZINC001209692988 1035358154 /nfs/dbraw/zinc/35/81/54/1035358154.db2.gz NYXLINSPQADCTQ-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO Cc1c(Br)cccc1-c1noc(C[C@H]([NH3+])Cc2ccc(C#N)cc2)n1 ZINC001248154689 1035580244 /nfs/dbraw/zinc/58/02/44/1035580244.db2.gz FDLLMGDAMCRFJD-OAHLLOKOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1 ZINC001248157550 1035583845 /nfs/dbraw/zinc/58/38/45/1035583845.db2.gz OOYVIZZVGUZUQN-LJQANCHMSA-N 1 0 397.438 3.908 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(C[C@H]([NH3+])CCc2ccccc2)n1 ZINC001248158587 1035585793 /nfs/dbraw/zinc/58/57/93/1035585793.db2.gz YXMDPEZEPSRLJP-MRXNPFEDSA-N 1 0 397.276 3.873 20 30 GHEDRO COc1ccc([C@H]([NH3+])Cc2nc(-c3ccc(Br)cc3C#N)no2)cc1 ZINC001248166386 1035595912 /nfs/dbraw/zinc/59/59/12/1035595912.db2.gz SQACIEVKDSBXIZ-MRXNPFEDSA-N 1 0 399.248 3.622 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(C(F)(F)F)cc2F)no1 ZINC001248180316 1035607984 /nfs/dbraw/zinc/60/79/84/1035607984.db2.gz ULKBNIVPHAQTQU-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])Cc2nc(-c3cccc(C#N)c3)no2)cc1 ZINC001248220064 1035651076 /nfs/dbraw/zinc/65/10/76/1035651076.db2.gz QSYOWGYTOUBZRX-SFHVURJKSA-N 1 0 376.460 3.898 20 30 GHEDRO C#Cc1ccc(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC001242293333 1035877220 /nfs/dbraw/zinc/87/72/20/1035877220.db2.gz DRZAPZZBSJSIKX-SFHVURJKSA-N 1 0 391.515 3.529 20 30 GHEDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1)C(C)C ZINC001248474521 1035902209 /nfs/dbraw/zinc/90/22/09/1035902209.db2.gz VTNIWQLSNHHFDK-ROUUACIJSA-N 1 0 397.523 3.702 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC001248532169 1035937810 /nfs/dbraw/zinc/93/78/10/1035937810.db2.gz WJTVLWNFLHIWFE-USCONSEESA-N 1 0 376.504 3.926 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(C2=CC(=O)C[C@H](C)C2)nc2ccccc21 ZINC001242736475 1035951660 /nfs/dbraw/zinc/95/16/60/1035951660.db2.gz XCRNMHKZQJDVLY-MRXNPFEDSA-N 1 0 379.504 3.689 20 30 GHEDRO CC(C)(C)OC(=O)c1ncccc1-c1ccc(OC2CC[NH2+]CC2)c(C#N)c1 ZINC001242872873 1035977863 /nfs/dbraw/zinc/97/78/63/1035977863.db2.gz SIRHOFHLWYKZBL-UHFFFAOYSA-N 1 0 379.460 3.706 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(-c3ccn(C)n3)cc1)CC2 ZINC001248764653 1036122946 /nfs/dbraw/zinc/12/29/46/1036122946.db2.gz BSKPCNVFPFPWRM-HSZRJFAPSA-N 1 0 378.520 3.620 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1Oc1ccccc1 ZINC001462092331 1069990593 /nfs/dbraw/zinc/99/05/93/1069990593.db2.gz UNRZDNWTXYSXFF-VSKRKVRLSA-N 1 0 389.499 3.889 20 30 GHEDRO COc1c(F)cc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1C(F)(F)F ZINC001244571843 1036546973 /nfs/dbraw/zinc/54/69/73/1036546973.db2.gz OULIHQHRGTZCPC-UHFFFAOYSA-N 1 0 379.357 3.801 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246029280 1037146105 /nfs/dbraw/zinc/14/61/05/1037146105.db2.gz VYIPHYQCYISOAL-YTFSRNRJSA-N 1 0 398.632 3.595 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@H]1CC[NH2+][C@@H](CCCC)C1)CC2 ZINC001246525796 1037457043 /nfs/dbraw/zinc/45/70/43/1037457043.db2.gz LHQPCKKCKMTCSE-PMACEKPBSA-N 1 0 377.573 3.798 20 30 GHEDRO N#Cc1ccc(-c2noc([C@H](c3ccco3)N3CCC([NH3+])CC3)n2)c2ccccc12 ZINC001247312937 1038105037 /nfs/dbraw/zinc/10/50/37/1038105037.db2.gz CHYSMEQLPVDBTQ-NRFANRHFSA-N 1 0 399.454 3.867 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC001232358874 1038138867 /nfs/dbraw/zinc/13/88/67/1038138867.db2.gz TXXVUVZHVYVXLS-UPVQGACJSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(OC)ccc3OCC)C2)C1 ZINC001232383478 1038161757 /nfs/dbraw/zinc/16/17/57/1038161757.db2.gz XUCVBICZEHKJNX-JOCHJYFZSA-N 1 0 388.508 3.704 20 30 GHEDRO N#Cc1ccnc(C[N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)c1 ZINC001232478852 1038260869 /nfs/dbraw/zinc/26/08/69/1038260869.db2.gz XOGUTVCPABCWIL-RDGATRHJSA-N 1 0 398.510 3.998 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cncc(Br)c1C)C2 ZINC001232528116 1038293735 /nfs/dbraw/zinc/29/37/35/1038293735.db2.gz KGUYXJPHWYXRNU-RBUKOAKNSA-N 1 0 395.341 3.726 20 30 GHEDRO N#Cc1ccc(-c2noc(C3=NO[C@@H]4[C@H]3CCC43CC[NH2+]CC3)n2)c2ccccc12 ZINC001247908633 1038481902 /nfs/dbraw/zinc/48/19/02/1038481902.db2.gz VBURECUXQFWNIS-AZUAARDMSA-N 1 0 399.454 3.644 20 30 GHEDRO COC(=O)c1cccc2c(C[N@@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)c[nH]c21 ZINC001232713023 1038512447 /nfs/dbraw/zinc/51/24/47/1038512447.db2.gz GWHUBURZXVXONZ-IBGZPJMESA-N 1 0 389.455 3.870 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)s1 ZINC001232842718 1038593333 /nfs/dbraw/zinc/59/33/33/1038593333.db2.gz CTEFDJNPHFMJEV-PGRDOPGGSA-N 1 0 395.528 3.563 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)s1 ZINC001232842806 1038593984 /nfs/dbraw/zinc/59/39/84/1038593984.db2.gz FEIGSDTYBSUIJW-QFIPXVFZSA-N 1 0 392.528 3.610 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)s1 ZINC001232843466 1038595359 /nfs/dbraw/zinc/59/53/59/1038595359.db2.gz OOGBLASTJXQLQT-KRWDZBQOSA-N 1 0 383.517 3.712 20 30 GHEDRO N#Cc1cc(CN2CCC([NH+]3CCC(F)CC3)CC2)ccc1Br ZINC001232899963 1038696287 /nfs/dbraw/zinc/69/62/87/1038696287.db2.gz XIKJXGKQNDQQTP-UHFFFAOYSA-N 1 0 380.305 3.719 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)n2)CC1 ZINC001232923278 1038712440 /nfs/dbraw/zinc/71/24/40/1038712440.db2.gz SNNKFTRHNJPRTI-HXUWFJFHSA-N 1 0 384.524 3.955 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001233081621 1038851883 /nfs/dbraw/zinc/85/18/83/1038851883.db2.gz JHJCVFWRJNQTRD-SIKLNZKXSA-N 1 0 381.451 3.603 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)c1ncc(C)n1CCN2CC ZINC001252125389 1038872355 /nfs/dbraw/zinc/87/23/55/1038872355.db2.gz CYCJNYAXJGBKSO-OAQYLSRUSA-N 1 0 390.616 3.930 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001252126916 1038875461 /nfs/dbraw/zinc/87/54/61/1038875461.db2.gz UTMNHCWDGJRPKJ-MYDTUXCISA-N 1 0 390.568 3.942 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001252128922 1038881338 /nfs/dbraw/zinc/88/13/38/1038881338.db2.gz SGSJFYZZBBSSFK-GMAHTHKFSA-N 1 0 387.568 3.618 20 30 GHEDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102507 1038882828 /nfs/dbraw/zinc/88/28/28/1038882828.db2.gz CZKNAKLGSZPQBC-INIZCTEOSA-N 1 0 383.467 3.717 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001252134051 1038886275 /nfs/dbraw/zinc/88/62/75/1038886275.db2.gz UMFFJMNPHLCEKW-PZJWPPBQSA-N 1 0 376.541 3.740 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(Cl)cnc1OCC)CC2 ZINC001233168430 1038940869 /nfs/dbraw/zinc/94/08/69/1038940869.db2.gz JTUUFHURCXJRKV-HXUWFJFHSA-N 1 0 377.916 3.667 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1cc(Cl)cnc1OCC)CC2 ZINC001233168428 1038941283 /nfs/dbraw/zinc/94/12/83/1038941283.db2.gz JTUUFHURCXJRKV-FQEVSTJZSA-N 1 0 377.916 3.667 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(NC[C@H](O)COc3cccc4ccccc43)sc2C1 ZINC001252374072 1038962382 /nfs/dbraw/zinc/96/23/82/1038962382.db2.gz CFMPIRNGSRAPHT-INIZCTEOSA-N 1 0 393.512 3.613 20 30 GHEDRO C=CCOC[C@H](O)C[N@H+]1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1 ZINC001252469914 1038999487 /nfs/dbraw/zinc/99/94/87/1038999487.db2.gz DUBRVDWKKGIBPR-PKTZIBPZSA-N 1 0 381.516 3.605 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC2(CC1)c1ccccc1N(Cc1ccccc1)C2=O ZINC001252553364 1039030951 /nfs/dbraw/zinc/03/09/51/1039030951.db2.gz WXTHJVIHPFOBMF-HSZRJFAPSA-N 1 0 376.500 3.504 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H](CC(=O)N(CC)CC)c3ccccc32)CC1 ZINC001252552167 1039031100 /nfs/dbraw/zinc/03/11/00/1039031100.db2.gz UOIARAZCIHCNPQ-XXBNENTESA-N 1 0 384.564 3.703 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001252582385 1039038656 /nfs/dbraw/zinc/03/86/56/1039038656.db2.gz QOEXHEBGIFBCQG-QAPCUYQASA-N 1 0 399.329 3.542 20 30 GHEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001252603715 1039044022 /nfs/dbraw/zinc/04/40/22/1039044022.db2.gz FOOSFAFSJATUBB-PMACEKPBSA-N 1 0 389.540 3.610 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]C1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252621445 1039051228 /nfs/dbraw/zinc/05/12/28/1039051228.db2.gz CAGWLTUFYFCOKU-FQEVSTJZSA-N 1 0 388.552 3.916 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]CC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252622184 1039052668 /nfs/dbraw/zinc/05/26/68/1039052668.db2.gz PTEWDZOETJVCKC-FQEVSTJZSA-N 1 0 388.552 3.872 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC001233288352 1039067559 /nfs/dbraw/zinc/06/75/59/1039067559.db2.gz HWYGJOQCEXEETQ-QUCCMNQESA-N 1 0 381.900 3.628 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001233384959 1039211089 /nfs/dbraw/zinc/21/10/89/1039211089.db2.gz OUPRBWARNCBKID-QFIPXVFZSA-N 1 0 391.515 3.519 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH]nc1-c1cc(F)cc(F)c1)C2 ZINC001233404518 1039247594 /nfs/dbraw/zinc/24/75/94/1039247594.db2.gz PRKBVCHONWHSBJ-FPOVZHCZSA-N 1 0 389.446 3.681 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH]nc1-c1cc(F)cc(F)c1)C2 ZINC001233404517 1039248128 /nfs/dbraw/zinc/24/81/28/1039248128.db2.gz PRKBVCHONWHSBJ-CTNGQTDRSA-N 1 0 389.446 3.681 20 30 GHEDRO N#Cc1cc(Cl)c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001252938339 1039280438 /nfs/dbraw/zinc/28/04/38/1039280438.db2.gz VWNNBSHNOFPRGO-IBGZPJMESA-N 1 0 376.287 3.914 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)CC1 ZINC001252977662 1039307843 /nfs/dbraw/zinc/30/78/43/1039307843.db2.gz MPIPLDTWHXHVQQ-UHFFFAOYSA-N 1 0 382.552 3.643 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001252984202 1039312491 /nfs/dbraw/zinc/31/24/91/1039312491.db2.gz DTHHEWCIHYNYPO-FCHUYYIVSA-N 1 0 382.589 3.591 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@H](O)COC[C@H](CC)CCCC)C2 ZINC001252994359 1039321859 /nfs/dbraw/zinc/32/18/59/1039321859.db2.gz AJOSMDNWKUDLNU-FUPPJEDESA-N 1 0 394.600 3.613 20 30 GHEDRO CCCC[C@@H](CC)COC[C@@H](O)C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001253008301 1039338218 /nfs/dbraw/zinc/33/82/18/1039338218.db2.gz XEKYWXYOFWIXIE-CTNGQTDRSA-N 1 0 388.552 3.995 20 30 GHEDRO C=CCCCCCC[C@H](O)CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001253236511 1039490896 /nfs/dbraw/zinc/49/08/96/1039490896.db2.gz DQIAQFDQPLACIX-CTNGQTDRSA-N 1 0 376.589 3.987 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001253239008 1039496068 /nfs/dbraw/zinc/49/60/68/1039496068.db2.gz VIZYOGOWPCHJSG-FGZHOGPDSA-N 1 0 384.564 3.870 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCN(c2ccccc2OCCOC)CC1 ZINC001253242489 1039500037 /nfs/dbraw/zinc/50/00/37/1039500037.db2.gz LVVJFJTYTDIGII-OAQYLSRUSA-N 1 0 390.568 3.721 20 30 GHEDRO C=CCN1CCC[C@@H]([NH2+]C[C@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)C1=O ZINC001253494559 1039677271 /nfs/dbraw/zinc/67/72/71/1039677271.db2.gz OQPIKLFLAVHUNJ-DENIHFKCSA-N 1 0 392.971 3.816 20 30 GHEDRO C=CCCC[NH2+]C[C@H](O)COc1ccc(Br)cc1Br ZINC001253514673 1039685521 /nfs/dbraw/zinc/68/55/21/1039685521.db2.gz FOHOAOUURZAOTK-LBPRGKRZSA-N 1 0 393.119 3.507 20 30 GHEDRO CCCCCCCCCCCCCC[C@H](O)C[NH2+][C@@H](Cc1c[nH]cn1)C(N)=O ZINC001253564744 1039706156 /nfs/dbraw/zinc/70/61/56/1039706156.db2.gz GDEORXMJNHJTOF-SFTDATJTSA-N 1 0 394.604 3.848 20 30 GHEDRO C=C[C@H](O)C[NH2+]CC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1 ZINC001253605448 1039717220 /nfs/dbraw/zinc/71/72/20/1039717220.db2.gz SNICPYQDMNWYHB-QFIPXVFZSA-N 1 0 388.515 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H]1CCN(C)C1 ZINC001253614843 1039724745 /nfs/dbraw/zinc/72/47/45/1039724745.db2.gz WBLZPEUGSAIQQX-FGZHOGPDSA-N 1 0 386.621 3.595 20 30 GHEDRO COc1cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)ccc1-n1ccnc1 ZINC001234075803 1039813297 /nfs/dbraw/zinc/81/32/97/1039813297.db2.gz OPKSVMXQCGKIQV-UHFFFAOYSA-N 1 0 388.471 3.796 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(F)c(Br)ccc1C(F)(F)F ZINC001234193037 1039915658 /nfs/dbraw/zinc/91/56/58/1039915658.db2.gz HOSRCPPDYHSICK-SECBINFHSA-N 1 0 384.191 3.974 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001254306100 1040157061 /nfs/dbraw/zinc/15/70/61/1040157061.db2.gz MGSPMBLRTDGVEP-DXIQSLLYSA-N 1 0 394.556 3.602 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CCNC(=O)Nc2ccccc2)CC1 ZINC001254348053 1040181863 /nfs/dbraw/zinc/18/18/63/1040181863.db2.gz ZLYFDZSRMWNJKE-UHFFFAOYSA-N 1 0 380.467 3.941 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@@]2(O)CCOc3ccccc32)CC1 ZINC001254348447 1040182122 /nfs/dbraw/zinc/18/21/22/1040182122.db2.gz MOSKYLHKIARHBQ-HXJXPZHGSA-N 1 0 380.463 3.790 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2cn(Cc3ccncc3)cn2)CC1 ZINC001254349780 1040183152 /nfs/dbraw/zinc/18/31/52/1040183152.db2.gz AMVDOXQLNLDKHB-UHFFFAOYSA-N 1 0 389.478 3.959 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(n2ccncc2=N[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254350752 1040183336 /nfs/dbraw/zinc/18/33/36/1040183336.db2.gz OEXCPBJHXBAFAK-FDNODPCQSA-N 1 0 393.510 3.769 20 30 GHEDRO COC(=O)c1ccc([C@H](CO)[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)cc1 ZINC001254351658 1040185005 /nfs/dbraw/zinc/18/50/05/1040185005.db2.gz OVRCKHHWTMHQMG-QKDPSFTKSA-N 1 0 396.462 3.639 20 30 GHEDRO COC[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)Cc2cn(C)nc21 ZINC001254354009 1040186371 /nfs/dbraw/zinc/18/63/71/1040186371.db2.gz CFJZAGLXIZOHLJ-RYHLMMNBSA-N 1 0 382.483 3.509 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OC)cc1OC(C)C)CC2 ZINC001234688650 1040221295 /nfs/dbraw/zinc/22/12/95/1040221295.db2.gz KCXLRHFLUANMDZ-UHFFFAOYSA-N 1 0 388.508 3.703 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc2c(c1)OC[C@H](Cc1ccc(O)cc1)C2 ZINC001234769706 1040294870 /nfs/dbraw/zinc/29/48/70/1040294870.db2.gz VJKFAEBYBYYMGY-XMSQKQJNSA-O 1 0 381.496 3.553 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C(OCC)OCC)cc3)C2)C1=O ZINC001234875252 1040389456 /nfs/dbraw/zinc/38/94/56/1040389456.db2.gz MIXGYOUZVKMLEN-QHCPKHFHSA-N 1 0 386.536 3.759 20 30 GHEDRO C=CCc1c(O[C@H]2CCC[N@@H+](C)CC2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234902277 1040416745 /nfs/dbraw/zinc/41/67/45/1040416745.db2.gz BAEBNDQOCZJIRA-IBGZPJMESA-N 1 0 389.499 3.977 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)C1 ZINC001254663889 1040424433 /nfs/dbraw/zinc/42/44/33/1040424433.db2.gz SNIVCBSHPLQSLL-WSTZPKSXSA-N 1 0 377.532 3.868 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)C1 ZINC001254664622 1040426979 /nfs/dbraw/zinc/42/69/79/1040426979.db2.gz IVYJZBKKMMXZMU-RBUKOAKNSA-N 1 0 375.516 3.732 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1ccc(Cl)c(C#N)c1)CS2 ZINC001254693059 1040452506 /nfs/dbraw/zinc/45/25/06/1040452506.db2.gz GUOZYCGSGYTUSG-HNNXBMFYSA-N 1 0 393.940 3.796 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1cccc(C#N)c1Cl)CC2 ZINC001235017257 1040504378 /nfs/dbraw/zinc/50/43/78/1040504378.db2.gz BFGMLSOBKSGYQN-UHFFFAOYSA-N 1 0 381.907 3.857 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1ccc(C#N)cc1Cl)CC2 ZINC001235018112 1040507336 /nfs/dbraw/zinc/50/73/36/1040507336.db2.gz FAOMFVJCDHXZDB-UHFFFAOYSA-N 1 0 381.907 3.857 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-c3nnc(C)o3)cc1)C2 ZINC001235048855 1040541935 /nfs/dbraw/zinc/54/19/35/1040541935.db2.gz MSPIDGAMTNDHGW-UNMCSNQZSA-N 1 0 383.492 3.619 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-c3nnc(C)o3)cc1)C2 ZINC001235048847 1040542637 /nfs/dbraw/zinc/54/26/37/1040542637.db2.gz MSPIDGAMTNDHGW-IFMALSPDSA-N 1 0 383.492 3.619 20 30 GHEDRO C=C[C@H](COC)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001255031265 1040742656 /nfs/dbraw/zinc/74/26/56/1040742656.db2.gz LDFATPLAMHRGQE-OAHLLOKOSA-N 1 0 388.339 3.658 20 30 GHEDRO ON=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001255100344 1040782185 /nfs/dbraw/zinc/78/21/85/1040782185.db2.gz ZVCOIQNXMFCBGA-INIZCTEOSA-N 1 0 379.382 3.585 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCC[C@@H](C(=O)OCC)C1)CC2 ZINC001255358992 1040960899 /nfs/dbraw/zinc/96/08/99/1040960899.db2.gz YFOURDLNPIAEHU-MOPGFXCFSA-N 1 0 392.540 3.609 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccc3CC#N)O2)cs1 ZINC001235517085 1040972337 /nfs/dbraw/zinc/97/23/37/1040972337.db2.gz JIDDIDVBVSNXEJ-YPAWHYETSA-N 1 0 397.544 3.856 20 30 GHEDRO CN1CC[C@@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001255419246 1041013987 /nfs/dbraw/zinc/01/39/87/1041013987.db2.gz ABMDFWFDPZKLSE-CYBMUJFWSA-N 1 0 385.514 3.591 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1-c1ccncc1)CC2 ZINC001235611382 1041029413 /nfs/dbraw/zinc/02/94/13/1041029413.db2.gz HKCXTILHZJUVDV-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@H]21 ZINC001235656401 1041105530 /nfs/dbraw/zinc/10/55/30/1041105530.db2.gz DGVXBRUNFUPMTB-LYHRCORUSA-N 1 0 396.485 3.964 20 30 GHEDRO COCCCC/C(=N\OCC[NH2+][C@@H](C)COC)c1ccc(C(F)(F)F)cc1 ZINC001255558669 1041131516 /nfs/dbraw/zinc/13/15/16/1041131516.db2.gz RRWAPWFTABRMFV-OFBVGVCLSA-N 1 0 390.446 3.867 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255674304 1041205628 /nfs/dbraw/zinc/20/56/28/1041205628.db2.gz OFXAZCKQRMOHSZ-YOFSQIOKSA-N 1 0 375.557 3.502 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)ccc(C)c3Br)C2)C1=O ZINC001235761754 1041251510 /nfs/dbraw/zinc/25/15/10/1041251510.db2.gz ZHHJIUHHCUOPPF-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCCN(Cc1cnc(Br)c(C)c1)C2 ZINC001235823927 1041343069 /nfs/dbraw/zinc/34/30/69/1041343069.db2.gz NXIKJJBZRVPGPF-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001255919138 1041405907 /nfs/dbraw/zinc/40/59/07/1041405907.db2.gz INCWKUFUUFFWGZ-AZUAARDMSA-N 1 0 385.508 3.801 20 30 GHEDRO CC(C)N(C(=O)c1ccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1)C(C)C ZINC001235917919 1041429169 /nfs/dbraw/zinc/42/91/69/1041429169.db2.gz COSOPKYOUHQJHK-UHFFFAOYSA-N 1 0 390.531 3.894 20 30 GHEDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)cc1C ZINC001462547722 1070351518 /nfs/dbraw/zinc/35/15/18/1070351518.db2.gz DOARDMMONSIOGB-FQEVSTJZSA-N 1 0 375.472 3.842 20 30 GHEDRO C=CCOCc1nn([C@@H](C)Cc2cccc(Br)c2)c2c1C[NH2+]C2 ZINC001256184460 1041628873 /nfs/dbraw/zinc/62/88/73/1041628873.db2.gz ZEZOAAKHZCJJAU-ZDUSSCGKSA-N 1 0 376.298 3.755 20 30 GHEDRO CC(C)n1ncc2c1[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CCC2 ZINC001256193257 1041639332 /nfs/dbraw/zinc/63/93/32/1041639332.db2.gz BJUVUENTHLMOLY-HXUWFJFHSA-N 1 0 389.507 3.803 20 30 GHEDRO N#Cc1cc(-c2ccc(NC(=O)c3ccccc3)cc2)ccc1N1CC[NH2+]CC1 ZINC001236334491 1041676639 /nfs/dbraw/zinc/67/66/39/1041676639.db2.gz OTDWQNZVMMRFLM-UHFFFAOYSA-N 1 0 382.467 3.887 20 30 GHEDRO CN(C)c1ccc(CN(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)c(F)c1C#N ZINC001236351618 1041679043 /nfs/dbraw/zinc/67/90/43/1041679043.db2.gz BDTQTOOWVDZMEG-GOSISDBHSA-N 1 0 384.474 3.657 20 30 GHEDRO Cn1cc(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001236399779 1041701795 /nfs/dbraw/zinc/70/17/95/1041701795.db2.gz RAHZWBTVRDHDLU-NRFANRHFSA-N 1 0 376.479 3.943 20 30 GHEDRO COC(=O)c1cccc(CN(Cc2ccc(Cl)cc2C#N)C2CC[NH2+]CC2)c1 ZINC001236465683 1041728119 /nfs/dbraw/zinc/72/81/19/1041728119.db2.gz BSNWHZVJAPQQFO-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO COc1ccc(CN2CC[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC001236803879 1041905564 /nfs/dbraw/zinc/90/55/64/1041905564.db2.gz PDFJTMIIHJWJMJ-IBGZPJMESA-N 1 0 375.394 3.732 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1I ZINC001237073812 1042022192 /nfs/dbraw/zinc/02/21/92/1042022192.db2.gz TVNBABBRMILHCW-UHFFFAOYSA-N 1 0 392.240 3.803 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237113134 1042045143 /nfs/dbraw/zinc/04/51/43/1042045143.db2.gz SCZABOCJYOTUSP-LJQANCHMSA-N 1 0 398.425 3.824 20 30 GHEDRO N#Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccsc4Cl)C3)C2=O)c1 ZINC001278068159 1042092863 /nfs/dbraw/zinc/09/28/63/1042092863.db2.gz DVZJOHCLOJCNTM-FQEVSTJZSA-N 1 0 385.920 3.898 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3ccsc3Cl)C2)C1=O ZINC001278068767 1042092872 /nfs/dbraw/zinc/09/28/72/1042092872.db2.gz LZTQJMZUTZGLHP-WIYYLYMNSA-N 1 0 384.932 3.853 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3[nH]c(C(=O)OC)cc3c1)C2 ZINC001237309913 1042138925 /nfs/dbraw/zinc/13/89/25/1042138925.db2.gz JPEQUCIYNSXIJG-GGAORHGYSA-N 1 0 398.503 3.528 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC001237422958 1042201018 /nfs/dbraw/zinc/20/10/18/1042201018.db2.gz MZFNQPJVYZWMEV-JOCHJYFZSA-N 1 0 383.467 3.984 20 30 GHEDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237470148 1042222231 /nfs/dbraw/zinc/22/22/31/1042222231.db2.gz FFGDODQEZOKLJN-UHFFFAOYSA-N 1 0 382.508 3.881 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cc(C#N)c(F)cc3F)C2)C1=O ZINC001237525338 1042250516 /nfs/dbraw/zinc/25/05/16/1042250516.db2.gz DKVFHTRBCCOCPR-QHCPKHFHSA-N 1 0 395.453 3.983 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc3ncnc(Cl)c3c1)CC2 ZINC001237590754 1042275544 /nfs/dbraw/zinc/27/55/44/1042275544.db2.gz JOIAJUNEYZYEKT-UHFFFAOYSA-N 1 0 386.883 3.504 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)c1 ZINC001237646300 1042302320 /nfs/dbraw/zinc/30/23/20/1042302320.db2.gz MXZFKWORHOKLGB-UHFFFAOYSA-N 1 0 388.446 3.787 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](Cc1ccccc1C1CCOCC1)CCC2 ZINC001237895503 1042413404 /nfs/dbraw/zinc/41/34/04/1042413404.db2.gz NBEJJELGWCQTFM-UHFFFAOYSA-N 1 0 381.520 3.886 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccc(N3CCCCC3)n1)C2 ZINC001238001643 1042453147 /nfs/dbraw/zinc/45/31/47/1042453147.db2.gz OQVVDDVDEQPPEY-GMAHTHKFSA-N 1 0 385.552 3.646 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc(N3CCCCC3)n1)CC2 ZINC001238001837 1042453410 /nfs/dbraw/zinc/45/34/10/1042453410.db2.gz QFMXCNYKLKMQAJ-HSZRJFAPSA-N 1 0 382.552 3.605 20 30 GHEDRO CC[N@@H+](Cc1ccc(Cl)c(C#N)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001238195355 1042515918 /nfs/dbraw/zinc/51/59/18/1042515918.db2.gz FUGVMUYOXASALP-OAQYLSRUSA-N 1 0 383.923 3.935 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NC[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12 ZINC001238328622 1042558211 /nfs/dbraw/zinc/55/82/11/1042558211.db2.gz SMHNXPJFLCHXTH-SLFFLAALSA-N 1 0 388.618 3.594 20 30 GHEDRO N#Cc1cccc(N2CCN(Cc3cncc(OCc4ccccc4)c3)CC2)c1 ZINC001238371763 1042573838 /nfs/dbraw/zinc/57/38/38/1042573838.db2.gz OBZQGXJDYDKTQQ-UHFFFAOYSA-N 1 0 384.483 3.854 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(OC(C)C)c3F)C2)C1=O ZINC001238529997 1042630454 /nfs/dbraw/zinc/63/04/54/1042630454.db2.gz DFHZZFXCFUEROC-OAQYLSRUSA-N 1 0 378.463 3.753 20 30 GHEDRO CCOc1ccc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001238716096 1042699080 /nfs/dbraw/zinc/69/90/80/1042699080.db2.gz FSMDYUAABIHCAY-DEOSSOPVSA-N 1 0 389.499 3.894 20 30 GHEDRO CCc1cc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1C#N ZINC001238761435 1042718109 /nfs/dbraw/zinc/71/81/09/1042718109.db2.gz CHRBJSUTJFPXMH-SGNDLWITSA-N 1 0 391.563 3.691 20 30 GHEDRO CCc1cc(C[NH+]2CCC(Oc3ccc(C(=O)OC)cc3)CC2)ccc1C#N ZINC001238767872 1042720497 /nfs/dbraw/zinc/72/04/97/1042720497.db2.gz BFRVVXSIXUTGNZ-UHFFFAOYSA-N 1 0 378.472 3.951 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC(C)C)ncc1F)[C@@H]2CC ZINC001238798968 1042733391 /nfs/dbraw/zinc/73/33/91/1042733391.db2.gz ZMRHPTWRUIUTPA-KNQAVFIVSA-N 1 0 389.515 3.930 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001239071516 1042763698 /nfs/dbraw/zinc/76/36/98/1042763698.db2.gz TXFGULRGHUTZNH-NHCUHLMSSA-N 1 0 378.582 3.756 20 30 GHEDRO Cc1ccc(S(=O)(=O)N(Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1C#N ZINC001239154946 1042774583 /nfs/dbraw/zinc/77/45/83/1042774583.db2.gz AXFALVYMCAILBZ-MEMLXQNLSA-N 1 0 397.544 3.636 20 30 GHEDRO O=C(Nc1cc(F)cc(C(F)(F)F)c1)N[C@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC001239255799 1042798628 /nfs/dbraw/zinc/79/86/28/1042798628.db2.gz RZVCGSUCSZOEKE-PRHODGIISA-N 1 0 387.299 3.897 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@H]([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC001239255121 1042798846 /nfs/dbraw/zinc/79/88/46/1042798846.db2.gz VRJCMYOQUWZWFT-QPUJVOFHSA-N 1 0 387.299 3.897 20 30 GHEDRO O=C(Nc1cc(F)cc(C(F)(F)F)c1)N[C@H]([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC001239255800 1042798946 /nfs/dbraw/zinc/79/89/46/1042798946.db2.gz RZVCGSUCSZOEKE-QPUJVOFHSA-N 1 0 387.299 3.897 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001239291650 1042803769 /nfs/dbraw/zinc/80/37/69/1042803769.db2.gz RAVJCYIXRQMUNP-OAQYLSRUSA-N 1 0 380.621 3.972 20 30 GHEDRO F[C@H]1C[NH2+]CC[C@@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239353373 1042812748 /nfs/dbraw/zinc/81/27/48/1042812748.db2.gz HJRPBVZJUXYKPJ-QWRGUYRKSA-N 1 0 389.340 3.711 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[NH2+]C[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001239460899 1042832768 /nfs/dbraw/zinc/83/27/68/1042832768.db2.gz RTCJNLTZAUEJIO-QGZVFWFLSA-N 1 0 390.434 3.920 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cnc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c2[nH]cnc21 ZINC001240343873 1042922445 /nfs/dbraw/zinc/92/24/45/1042922445.db2.gz WWDAPZRTNZXDJG-UHFFFAOYSA-N 1 0 390.447 3.530 20 30 GHEDRO COc1ccc(Cn2cc(-c3ccc(OC4CC[NH2+]CC4)c(C#N)c3)cn2)cc1 ZINC001240464804 1042933502 /nfs/dbraw/zinc/93/35/02/1042933502.db2.gz XEQHIAVAXGHXIX-UHFFFAOYSA-N 1 0 388.471 3.609 20 30 GHEDRO COc1cc2cc(C#N)c(-c3ccc(N4CC[NH+](C)CC4)cc3)nc2cc1OC ZINC001240848303 1042958217 /nfs/dbraw/zinc/95/82/17/1042958217.db2.gz DMKUIARKSUHSGT-UHFFFAOYSA-N 1 0 388.471 3.542 20 30 GHEDRO C[C@@H]1CCC[C@@](Cn2c(CC3CC3)nnc2N2CCC(C)(C#N)CC2)([NH+](C)C)C1 ZINC001291067593 1043062442 /nfs/dbraw/zinc/06/24/42/1043062442.db2.gz CEWSQEKIDIZNTB-WZONZLPQSA-N 1 0 398.599 3.871 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291106202 1043081956 /nfs/dbraw/zinc/08/19/56/1043081956.db2.gz TUZBFYREYRETAC-DLBZAZTESA-N 1 0 378.524 3.536 20 30 GHEDRO C[C@@H](Cn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC001291108828 1043083130 /nfs/dbraw/zinc/08/31/30/1043083130.db2.gz BDLSPWUJFUPJOT-ROUUACIJSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291144631 1043107448 /nfs/dbraw/zinc/10/74/48/1043107448.db2.gz RRCWKWBJTDZTSO-RTBURBONSA-N 1 0 386.588 3.870 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001291154531 1043113599 /nfs/dbraw/zinc/11/35/99/1043113599.db2.gz AMSISTFKNIKKPX-SFHVURJKSA-N 1 0 378.524 3.539 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCCC2)[C@H]1C ZINC001291155202 1043114486 /nfs/dbraw/zinc/11/44/86/1043114486.db2.gz NCOHPKTYXIYWQJ-MOPGFXCFSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCC1 ZINC001291707517 1043408207 /nfs/dbraw/zinc/40/82/07/1043408207.db2.gz YEQXFHORNBXUEM-SFHVURJKSA-N 1 0 380.540 3.785 20 30 GHEDRO C[C@H]1C[C@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC001256553159 1043521007 /nfs/dbraw/zinc/52/10/07/1043521007.db2.gz GCXJHBQXFWDHAG-NZQKXSOJSA-N 1 0 389.547 3.518 20 30 GHEDRO CCC1CCC([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)CC1 ZINC001256870951 1043712348 /nfs/dbraw/zinc/71/23/48/1043712348.db2.gz CNLMHONBAIOFOL-IRSIHTCSSA-N 1 0 382.552 3.841 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3C3CCC(C#N)CC3)O2)cs1 ZINC001256967639 1043776713 /nfs/dbraw/zinc/77/67/13/1043776713.db2.gz GCSQYIHSDKORBG-OCHJOZIMSA-N 1 0 375.538 3.672 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC001292545763 1043781865 /nfs/dbraw/zinc/78/18/65/1043781865.db2.gz ITPDYUMSRUVLFK-UHFFFAOYSA-N 1 0 394.338 3.943 20 30 GHEDRO CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257136365 1043882337 /nfs/dbraw/zinc/88/23/37/1043882337.db2.gz XHOZMTWQTQBLFS-CTNGQTDRSA-N 1 0 398.551 3.858 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001257142164 1043891925 /nfs/dbraw/zinc/89/19/25/1043891925.db2.gz HWAYBKURKXYYTK-FGTMMUONSA-N 1 0 395.544 3.541 20 30 GHEDRO CCCCCCCCCC[C@H](C)[N@@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001257550076 1044036387 /nfs/dbraw/zinc/03/63/87/1044036387.db2.gz HNFRLNCAKZYXAU-UNMCSNQZSA-N 1 0 382.589 3.855 20 30 GHEDRO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001293259900 1044079398 /nfs/dbraw/zinc/07/93/98/1044079398.db2.gz YCNZYJWAVWTHJW-GHTZIAJQSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001293305707 1044102276 /nfs/dbraw/zinc/10/22/76/1044102276.db2.gz RZKWUFIXBWAKJB-GHTZIAJQSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3CCc4cnn(CC5CCOCC5)c4[C@H]3COC)C[C@H](C1)C2 ZINC001257892502 1044247236 /nfs/dbraw/zinc/24/72/36/1044247236.db2.gz ZSLNJCZATRYTEF-ZQGXWFNHSA-N 1 0 399.579 3.990 20 30 GHEDRO C=C1C[C@@H]2CC(N(c3ccc(C)nn3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)C[C@H](C1)C2 ZINC001257892704 1044248464 /nfs/dbraw/zinc/24/84/64/1044248464.db2.gz BFQGMMYRDCEYHF-ODJINULJSA-N 1 0 382.552 3.637 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3CC[C@H]4COC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC001257894923 1044250018 /nfs/dbraw/zinc/25/00/18/1044250018.db2.gz COFOGIKMJSQUIX-YNZYKWNJSA-N 1 0 376.541 3.832 20 30 GHEDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cn1 ZINC001293756303 1044324732 /nfs/dbraw/zinc/32/47/32/1044324732.db2.gz TWOSLUCITWWVBV-UHFFFAOYSA-N 1 0 376.485 3.673 20 30 GHEDRO CCCCCCC[C@H](C)[NH2+][C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C ZINC001258043443 1044367636 /nfs/dbraw/zinc/36/76/36/1044367636.db2.gz PGOHOHHMJJZWNE-JBACZVJFSA-N 1 0 389.584 3.562 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C=C/c2ccccc2OCc2ccccc2)CC1 ZINC001293931722 1044386796 /nfs/dbraw/zinc/38/67/96/1044386796.db2.gz BLFIFGANAUSGIR-BUHFOSPRSA-N 1 0 388.511 3.883 20 30 GHEDRO CCOC(=O)CCC[C@@H](C)[NH2+][C@@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001258113668 1044402673 /nfs/dbraw/zinc/40/26/73/1044402673.db2.gz YUPYQEHEALRHEO-CVEARBPZSA-N 1 0 383.492 3.816 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142249 1044429905 /nfs/dbraw/zinc/42/99/05/1044429905.db2.gz DMGDYHMZXSDUPY-RPBOFIJWSA-N 1 0 398.591 3.767 20 30 GHEDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc(C#C[Si](C)(C)C)cc3)o2)C[C@H](C)O1 ZINC001258144183 1044431126 /nfs/dbraw/zinc/43/11/26/1044431126.db2.gz AZWJMXSTFGDBPH-CALCHBBNSA-N 1 0 383.568 3.617 20 30 GHEDRO C[C@H]1C[NH+](CCc2nnc(-c3cc(F)c(Cl)c(C#N)c3Cl)o2)C[C@H](C)O1 ZINC001258146176 1044434643 /nfs/dbraw/zinc/43/46/43/1044434643.db2.gz MPVXHTBDSZXVHN-UWVGGRQHSA-N 1 0 399.253 3.706 20 30 GHEDRO C=CCC[C@H](C)N(CC(C)C)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001258730101 1044736165 /nfs/dbraw/zinc/73/61/65/1044736165.db2.gz AUZONMPDSLEIHY-IBGZPJMESA-N 1 0 398.595 3.823 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1 ZINC001296061136 1045237503 /nfs/dbraw/zinc/23/75/03/1045237503.db2.gz VFERNEYAGHBVSL-OAQYLSRUSA-N 1 0 390.535 3.848 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001296881025 1045391554 /nfs/dbraw/zinc/39/15/54/1045391554.db2.gz NWGVNUUDWYYVQW-JQCPSUHGSA-N 1 0 394.490 3.825 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Br)cc1 ZINC001298538591 1045861155 /nfs/dbraw/zinc/86/11/55/1045861155.db2.gz JAZNZTHRUNHWIR-WOJBJXKFSA-N 1 0 397.316 3.904 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cc(C#N)ccc2Br)C1 ZINC000492872346 1045990536 /nfs/dbraw/zinc/99/05/36/1045990536.db2.gz KRISYHSQTLHARX-CQSZACIVSA-N 1 0 379.298 3.874 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001261854169 1046119061 /nfs/dbraw/zinc/11/90/61/1046119061.db2.gz DHJCDKJOCBHYJS-KBPBESRZSA-N 1 0 382.892 3.587 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CC1([NH+](C)C)CCC1 ZINC001300918368 1046239860 /nfs/dbraw/zinc/23/98/60/1046239860.db2.gz ZDWNOYTXBDVLMC-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001300963838 1046263549 /nfs/dbraw/zinc/26/35/49/1046263549.db2.gz JXSPJBSDZPOTTJ-IBGZPJMESA-N 1 0 383.540 3.580 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001300982411 1046274523 /nfs/dbraw/zinc/27/45/23/1046274523.db2.gz HUHSXSCCDZOOSI-PMACEKPBSA-N 1 0 397.567 3.765 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001301119331 1046356169 /nfs/dbraw/zinc/35/61/69/1046356169.db2.gz FJJWMYPWWWBYQE-GOSISDBHSA-N 1 0 383.515 3.971 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301154000 1046375358 /nfs/dbraw/zinc/37/53/58/1046375358.db2.gz INRSJAQOFHOXHV-AZUAARDMSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301154002 1046375677 /nfs/dbraw/zinc/37/56/77/1046375677.db2.gz INRSJAQOFHOXHV-ICSRJNTNSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301154329 1046375773 /nfs/dbraw/zinc/37/57/73/1046375773.db2.gz PKNJXMLAERPABQ-FQEVSTJZSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCC[N@H+]1CC ZINC001301308233 1046471063 /nfs/dbraw/zinc/47/10/63/1046471063.db2.gz BKPKVBATWQZUDO-LJQANCHMSA-N 1 0 383.540 3.526 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC001301324479 1046487418 /nfs/dbraw/zinc/48/74/18/1046487418.db2.gz WQOXVKOAEABTBU-SFHVURJKSA-N 1 0 382.556 3.703 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC=C(C)C1)C(C)C ZINC001301371330 1046511849 /nfs/dbraw/zinc/51/18/49/1046511849.db2.gz ONMKSDXLNYECGB-LEWJYISDSA-N 1 0 399.583 3.985 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001301458447 1046550978 /nfs/dbraw/zinc/55/09/78/1046550978.db2.gz PNCXNYABAYOQIW-UHFFFAOYSA-N 1 0 385.531 3.752 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001301555737 1046595894 /nfs/dbraw/zinc/59/58/94/1046595894.db2.gz DCOCSYOBUDGVCV-OALUTQOASA-N 1 0 389.588 3.522 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1C1(C#N)CCCC1 ZINC001263300743 1046697764 /nfs/dbraw/zinc/69/77/64/1046697764.db2.gz YFSHWKDUSWIZPZ-UHFFFAOYSA-N 1 0 382.556 3.644 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001263306230 1046704332 /nfs/dbraw/zinc/70/43/32/1046704332.db2.gz SLNCTJBLTOUAQG-RBUKOAKNSA-N 1 0 387.572 3.590 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263306263 1046704567 /nfs/dbraw/zinc/70/45/67/1046704567.db2.gz SVHXDJHLQAPSSZ-GUDVDZBRSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c(Cc2ncccc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001263324359 1046712345 /nfs/dbraw/zinc/71/23/45/1046712345.db2.gz QSTZZLXBUBIRTO-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001263338848 1046722587 /nfs/dbraw/zinc/72/25/87/1046722587.db2.gz WSMWTSTYLVDFLW-FQEVSTJZSA-N 1 0 392.551 3.626 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC001301882288 1046744165 /nfs/dbraw/zinc/74/41/65/1046744165.db2.gz RHRYPJCPZFSWOZ-VGOFRKELSA-N 1 0 391.490 3.756 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001301958775 1046762058 /nfs/dbraw/zinc/76/20/58/1046762058.db2.gz HMKLYGIREWPCDB-CABCVRRESA-N 1 0 386.931 3.677 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001264523766 1047367077 /nfs/dbraw/zinc/36/70/77/1047367077.db2.gz ZASQMRCVFCZWKO-HXUWFJFHSA-N 1 0 388.552 3.675 20 30 GHEDRO Cc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@@H+](C)C(C)C ZINC001304556492 1047711841 /nfs/dbraw/zinc/71/18/41/1047711841.db2.gz LVUNZJWBCPALQG-QHCPKHFHSA-N 1 0 394.567 3.648 20 30 GHEDRO CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001304587108 1047722069 /nfs/dbraw/zinc/72/20/69/1047722069.db2.gz SLBKXNFHFWEDKT-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001305007271 1047834913 /nfs/dbraw/zinc/83/49/13/1047834913.db2.gz DHARVKBPZCGSSD-MSOLQXFVSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025898 1047840396 /nfs/dbraw/zinc/84/03/96/1047840396.db2.gz UZBDEIUENJHVKI-QZTJIDSGSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC001305051986 1047859546 /nfs/dbraw/zinc/85/95/46/1047859546.db2.gz RWBUWRCIAIPGNX-QRVBRYPASA-N 1 0 392.551 3.783 20 30 GHEDRO COc1c(Cl)cc(C[NH2+]C23CC(C(=O)NC4(C#N)CCC4)(C2)C3)cc1Cl ZINC001279933506 1047993123 /nfs/dbraw/zinc/99/31/23/1047993123.db2.gz GNXWQHWFJKBPPG-UHFFFAOYSA-N 1 0 394.302 3.577 20 30 GHEDRO C=CCCNC(=S)N1CCC[C@]2(C1)C[N@H+](C[C@H](CC)CCCC)CCO2 ZINC001279936178 1047994692 /nfs/dbraw/zinc/99/46/92/1047994692.db2.gz FWYFRSMDNAVKNG-TZIWHRDSSA-N 1 0 381.630 3.820 20 30 GHEDRO CSCCC[NH+]1CCC2(CCC(CC(=O)NC3(C#N)CCC3)CC2)CC1 ZINC001280277914 1048157755 /nfs/dbraw/zinc/15/77/55/1048157755.db2.gz IBVZJXONIWEGIR-UHFFFAOYSA-N 1 0 377.598 3.964 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286274268 1048247266 /nfs/dbraw/zinc/24/72/66/1048247266.db2.gz LFKIPOFBAPRNJM-SJORKVTESA-N 1 0 385.943 3.788 20 30 GHEDRO CC[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C#N)[NH+]1CCCC1 ZINC001305823410 1048253172 /nfs/dbraw/zinc/25/31/72/1048253172.db2.gz OBYCZXGAYYYCNH-DLBZAZTESA-N 1 0 384.503 3.554 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001286288526 1048257097 /nfs/dbraw/zinc/25/70/97/1048257097.db2.gz HOHLQUSAJJHSBV-SFHVURJKSA-N 1 0 377.536 3.648 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286299956 1048262598 /nfs/dbraw/zinc/26/25/98/1048262598.db2.gz KADOWLKSYGMWRJ-MSOLQXFVSA-N 1 0 399.608 3.899 20 30 GHEDRO C#CCCCn1c(Cc2ccccc2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001286351761 1048283071 /nfs/dbraw/zinc/28/30/71/1048283071.db2.gz TVKLRXVNOVRUAP-UHFFFAOYSA-N 1 0 391.563 3.655 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286364360 1048289724 /nfs/dbraw/zinc/28/97/24/1048289724.db2.gz ATWNRKWAFKJLGH-IBGZPJMESA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001286440898 1048323086 /nfs/dbraw/zinc/32/30/86/1048323086.db2.gz MSUIFWQFLHQZQF-KRWDZBQOSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286442235 1048324324 /nfs/dbraw/zinc/32/43/24/1048324324.db2.gz QVBRESZLZSMIQB-NRFANRHFSA-N 1 0 390.535 3.816 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC[N@@H+](CC)C(C)C ZINC001286455224 1048332716 /nfs/dbraw/zinc/33/27/16/1048332716.db2.gz SVWUHLKQDPKULU-UHFFFAOYSA-N 1 0 385.531 3.911 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CC[N@@H+]1CCc2sccc2C1 ZINC001286517584 1048345162 /nfs/dbraw/zinc/34/51/62/1048345162.db2.gz SXBBAIFKFAPXJQ-HTAPYJJXSA-N 1 0 397.592 3.904 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286525185 1048350579 /nfs/dbraw/zinc/35/05/79/1048350579.db2.gz MVVKTKMYIKHUFW-JXALWOEJSA-N 1 0 397.611 3.981 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H](C)CC)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001286568635 1048367406 /nfs/dbraw/zinc/36/74/06/1048367406.db2.gz VXOJODNNPQCEEJ-MOPGFXCFSA-N 1 0 377.577 3.695 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001286588804 1048378742 /nfs/dbraw/zinc/37/87/42/1048378742.db2.gz ZCQNRPFCSOFHBE-LJQANCHMSA-N 1 0 395.551 3.842 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001286591687 1048378775 /nfs/dbraw/zinc/37/87/75/1048378775.db2.gz UCEOUNAJBZELHD-HXUWFJFHSA-N 1 0 390.535 3.950 20 30 GHEDRO C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001286594392 1048380465 /nfs/dbraw/zinc/38/04/65/1048380465.db2.gz OXZHCHZWJJBITD-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286629634 1048398831 /nfs/dbraw/zinc/39/88/31/1048398831.db2.gz MHFMYRQWQHWMKW-HNNXBMFYSA-N 1 0 379.980 3.930 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286651935 1048419797 /nfs/dbraw/zinc/41/97/97/1048419797.db2.gz PXCNKHYQQFNZEQ-ICSRJNTNSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001286661458 1048426267 /nfs/dbraw/zinc/42/62/67/1048426267.db2.gz FEQHNQDFWBVGSG-UHFFFAOYSA-N 1 0 382.556 3.942 20 30 GHEDRO C=CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286692814 1048453814 /nfs/dbraw/zinc/45/38/14/1048453814.db2.gz OXHXPMVDSONRMU-ZWKOTPCHSA-N 1 0 383.540 3.839 20 30 GHEDRO C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286699525 1048460172 /nfs/dbraw/zinc/46/01/72/1048460172.db2.gz SJYJHOPXUFXDDQ-SFHVURJKSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCCCn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286704088 1048462150 /nfs/dbraw/zinc/46/21/50/1048462150.db2.gz ZGUDVCZEJKAZOA-FPOVZHCZSA-N 1 0 379.552 3.702 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1 ZINC001286725313 1048482273 /nfs/dbraw/zinc/48/22/73/1048482273.db2.gz RBBFMJKKFUUYRX-LJQANCHMSA-N 1 0 375.561 3.798 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccc2C)n1CC[N@H+]1CC=CCC1)C1CC1 ZINC001286735886 1048494627 /nfs/dbraw/zinc/49/46/27/1048494627.db2.gz QUZYCHKJHMMQEE-UHFFFAOYSA-N 1 0 377.536 3.594 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001286800873 1048529241 /nfs/dbraw/zinc/52/92/41/1048529241.db2.gz RYGZBILJNWOTQF-MOPGFXCFSA-N 1 0 389.588 3.621 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCC[N@H+](C)C1CCCCC1 ZINC001286964792 1048557489 /nfs/dbraw/zinc/55/74/89/1048557489.db2.gz LQNPFTOGIJRIJI-GOSISDBHSA-N 1 0 397.571 3.534 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001286966367 1048559062 /nfs/dbraw/zinc/55/90/62/1048559062.db2.gz ZUQNAUNATVSSIM-YLJYHZDGSA-N 1 0 378.524 3.558 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306366679 1048604715 /nfs/dbraw/zinc/60/47/15/1048604715.db2.gz IJGPMIXOWAAEPS-RBUKOAKNSA-N 1 0 392.551 3.785 20 30 GHEDRO CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001306693563 1048821432 /nfs/dbraw/zinc/82/14/32/1048821432.db2.gz JUPNHSYIEMHQAG-HXUWFJFHSA-N 1 0 380.540 3.783 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CC[NH+](CC4CCCCC4)CC3)c2c1 ZINC001306945820 1048973836 /nfs/dbraw/zinc/97/38/36/1048973836.db2.gz HGGDFHYGXSOJAJ-UHFFFAOYSA-N 1 0 394.519 3.826 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001307040797 1049035107 /nfs/dbraw/zinc/03/51/07/1049035107.db2.gz XRRMBFFXRQWVPS-QFIPXVFZSA-N 1 0 396.514 3.509 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1Br ZINC001307071032 1049052947 /nfs/dbraw/zinc/05/29/47/1049052947.db2.gz DLOTZGIXHPUBHG-DZGCQCFKSA-N 1 0 378.289 3.913 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001307236894 1049157829 /nfs/dbraw/zinc/15/78/29/1049157829.db2.gz QGXCBUZBMIFLIZ-OAHLLOKOSA-N 1 0 381.348 3.876 20 30 GHEDRO C#CC[N@@H+](CCCCCNC(C)=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001307476036 1049314589 /nfs/dbraw/zinc/31/45/89/1049314589.db2.gz NLRQODNROXHATN-GOSISDBHSA-N 1 0 393.325 3.514 20 30 GHEDRO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)o1 ZINC001307497599 1049337745 /nfs/dbraw/zinc/33/77/45/1049337745.db2.gz FPTKYYCFAOOVOL-UTKZUKDTSA-N 1 0 390.483 3.915 20 30 GHEDRO CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC001307529873 1049376417 /nfs/dbraw/zinc/37/64/17/1049376417.db2.gz OMEORHWJEJHZGE-QGZVFWFLSA-N 1 0 380.492 3.645 20 30 GHEDRO CC(C)([C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001307608110 1049447149 /nfs/dbraw/zinc/44/71/49/1049447149.db2.gz QYAZRTCMYLOMJX-XLIONFOSSA-N 1 0 391.506 3.915 20 30 GHEDRO CCCN(CC[NH+](CC)CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001307664925 1049489048 /nfs/dbraw/zinc/48/90/48/1049489048.db2.gz CQQHFAANMOAMKG-UHFFFAOYSA-N 1 0 390.597 3.881 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CCC1 ZINC001307673530 1049495888 /nfs/dbraw/zinc/49/58/88/1049495888.db2.gz YUTMALTYLORQPZ-FPOVZHCZSA-N 1 0 392.478 3.951 20 30 GHEDRO Cc1ccc([C@@H](Cn2c(C3CC3)nnc2N2CCC[C@@](C)(C#N)C2)[NH+](C)C)cc1 ZINC001289482038 1049508837 /nfs/dbraw/zinc/50/88/37/1049508837.db2.gz JBFGQEULGPYLKI-OFNKIYASSA-N 1 0 392.551 3.897 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC001289532099 1049527502 /nfs/dbraw/zinc/52/75/02/1049527502.db2.gz SFPMDPWHBZWTDW-ZWKOTPCHSA-N 1 0 398.555 3.955 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001289585237 1049550272 /nfs/dbraw/zinc/55/02/72/1049550272.db2.gz RNPZIZGSUIWRQC-AVRDEDQJSA-N 1 0 398.555 3.953 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC001307833948 1049622485 /nfs/dbraw/zinc/62/24/85/1049622485.db2.gz VJGLXHIEQNQCLX-HSZRJFAPSA-N 1 0 398.453 3.720 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001307834887 1049623731 /nfs/dbraw/zinc/62/37/31/1049623731.db2.gz PXEYCSMGPHACFB-SFHVURJKSA-N 1 0 386.442 3.531 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001289909146 1049677169 /nfs/dbraw/zinc/67/71/69/1049677169.db2.gz MDIGKNZRUKWVKD-HKUYNNGSSA-N 1 0 395.555 3.507 20 30 GHEDRO CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001290236520 1049770670 /nfs/dbraw/zinc/77/06/70/1049770670.db2.gz RCZASRNPHOXWEU-GOSISDBHSA-N 1 0 390.535 3.705 20 30 GHEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001308134425 1049875553 /nfs/dbraw/zinc/87/55/53/1049875553.db2.gz AVFQHFWLJSNGIS-MOPGFXCFSA-N 1 0 396.453 3.598 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC001308170541 1049898551 /nfs/dbraw/zinc/89/85/51/1049898551.db2.gz HSLPKYSOJRTQNS-FUMNGEBKSA-N 1 0 399.535 3.605 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CC2)C1 ZINC001291014181 1049971559 /nfs/dbraw/zinc/97/15/59/1049971559.db2.gz YQYIYSQROXSKLM-ROUUACIJSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(C3CCC3)nnc2N2CCC(C#N)CC2)C1 ZINC001291013987 1049971739 /nfs/dbraw/zinc/97/17/39/1049971739.db2.gz WBYJLMXOCBVWPF-HDICACEKSA-N 1 0 384.572 3.654 20 30 GHEDRO CSc1ccc(C[NH2+]C2CCN(C(=O)c3cccc(C)c3)CC2)cc1C#N ZINC001308520156 1049997550 /nfs/dbraw/zinc/99/75/50/1049997550.db2.gz UXTIFYUBHYINDN-UHFFFAOYSA-N 1 0 379.529 3.983 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC001308527412 1049999175 /nfs/dbraw/zinc/99/91/75/1049999175.db2.gz ZOFCVPZZADYUSS-NVXWUHKLSA-N 1 0 376.497 3.605 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC001308552046 1050006367 /nfs/dbraw/zinc/00/63/67/1050006367.db2.gz SMALTOLBLFJSJG-QAQDUYKDSA-N 1 0 389.496 3.523 20 30 GHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001308632179 1050041695 /nfs/dbraw/zinc/04/16/95/1050041695.db2.gz WOBZYFFNUNAKSL-LJQANCHMSA-N 1 0 385.508 3.918 20 30 GHEDRO C#CCC[N@@H+](CCOC)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001308877566 1050135668 /nfs/dbraw/zinc/13/56/68/1050135668.db2.gz CQSNIBUQRMOFDK-UHFFFAOYSA-N 1 0 380.204 3.819 20 30 GHEDRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001308956631 1050216611 /nfs/dbraw/zinc/21/66/11/1050216611.db2.gz IFWDUARWGLNIAC-JVVKFSLBSA-N 1 0 399.535 3.614 20 30 GHEDRO Cc1ccc(-n2nc(CCCNC(=[NH2+])Nc3ccccc3C)c(C#N)c2N)cc1 ZINC001327781224 1050275673 /nfs/dbraw/zinc/27/56/73/1050275673.db2.gz KAVPKZIFHLJXGV-UHFFFAOYSA-N 1 0 387.491 3.512 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(OCC#N)cc2)CC1 ZINC001328548264 1050540524 /nfs/dbraw/zinc/54/05/24/1050540524.db2.gz DRPUSAJGQDMMCO-QGZVFWFLSA-N 1 0 378.476 3.936 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)C1 ZINC001328773367 1050632999 /nfs/dbraw/zinc/63/29/99/1050632999.db2.gz YJFGQKQTZVXDKG-RBUKOAKNSA-N 1 0 379.932 3.709 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)C(C)(C)c2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC001329258240 1050760731 /nfs/dbraw/zinc/76/07/31/1050760731.db2.gz QMMCCRRQCDAEKU-JOCHJYFZSA-N 1 0 391.515 3.798 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC001310019376 1051102409 /nfs/dbraw/zinc/10/24/09/1051102409.db2.gz ONSXFWHWOCJGAX-CRAIPNDOSA-N 1 0 389.931 3.638 20 30 GHEDRO CCc1ccc([C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2cccc(F)c2)cc1 ZINC001330880465 1051138501 /nfs/dbraw/zinc/13/85/01/1051138501.db2.gz RZXKHEJJVFJSQM-OZWNJILTSA-N 1 0 391.490 3.733 20 30 GHEDRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331329539 1051250441 /nfs/dbraw/zinc/25/04/41/1051250441.db2.gz BFPZLOOXQAOTIU-NXYBWZTOSA-N 1 0 391.437 3.682 20 30 GHEDRO CCCn1c(C)cc(-c2csc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)c1C ZINC001331977528 1051429481 /nfs/dbraw/zinc/42/94/81/1051429481.db2.gz YAESNIHDJLQOGW-TZQQIIETSA-N 1 0 397.548 3.716 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1Br ZINC001310714137 1051546737 /nfs/dbraw/zinc/54/67/37/1051546737.db2.gz ZXFGAGBMPYWPTE-QGZVFWFLSA-N 1 0 399.292 3.717 20 30 GHEDRO CCC(CC)(CNC(=O)Nc1cnc(OC)c(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC001311198608 1051935478 /nfs/dbraw/zinc/93/54/78/1051935478.db2.gz ZXVLUHRNEXPFHP-INIZCTEOSA-N 1 0 395.507 3.993 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC001335969487 1052210015 /nfs/dbraw/zinc/21/00/15/1052210015.db2.gz ZAHLFTHVHKUEDH-KRWDZBQOSA-N 1 0 391.471 3.646 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C[C@H]2C1 ZINC001336272313 1052250558 /nfs/dbraw/zinc/25/05/58/1052250558.db2.gz SCALTOPDCWNZQI-JGGQBBKZSA-N 1 0 396.413 3.651 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC001336817417 1052342310 /nfs/dbraw/zinc/34/23/10/1052342310.db2.gz DPEYKVGNBBLQTG-FPOVZHCZSA-N 1 0 398.551 3.679 20 30 GHEDRO N#CCCC[C@H](NC(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccc1 ZINC001336876345 1052356722 /nfs/dbraw/zinc/35/67/22/1052356722.db2.gz HQEHQSYPXJAEJN-QNWVGRARSA-N 1 0 376.504 3.780 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC001337026614 1052380711 /nfs/dbraw/zinc/38/07/11/1052380711.db2.gz RYAMXVUYUQRJGZ-MRXNPFEDSA-N 1 0 395.341 3.693 20 30 GHEDRO CSc1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1C#N ZINC001312154572 1052602067 /nfs/dbraw/zinc/60/20/67/1052602067.db2.gz PUVBVGVIRPFTEK-UHFFFAOYSA-N 1 0 386.565 3.876 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001312726360 1052849527 /nfs/dbraw/zinc/84/95/27/1052849527.db2.gz SGCXWFUMUIDMNV-BJKOFHAPSA-N 1 0 387.527 3.864 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC001312789924 1052871297 /nfs/dbraw/zinc/87/12/97/1052871297.db2.gz UGHZKOXBQFVSGV-GOSISDBHSA-N 1 0 392.341 3.559 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001313657087 1053157416 /nfs/dbraw/zinc/15/74/16/1053157416.db2.gz JAWRNHZKRDQVGI-KZNAEPCWSA-N 1 0 380.540 3.782 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C)C1 ZINC001313722428 1053190891 /nfs/dbraw/zinc/19/08/91/1053190891.db2.gz ZMDBDIBPQVZYKA-ZWKOTPCHSA-N 1 0 380.540 3.783 20 30 GHEDRO C=C(C)Cn1c(C2SC=CC2=O)nnc1N1CCC(Nc2ccccn2)CC1 ZINC001342529647 1053219778 /nfs/dbraw/zinc/21/97/78/1053219778.db2.gz UCHPUGQGLULKII-UHFFFAOYSA-N 1 0 396.520 3.764 20 30 GHEDRO CCN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C(C)C ZINC001313793897 1053234010 /nfs/dbraw/zinc/23/40/10/1053234010.db2.gz CIKFHOHODRATCG-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1)C1CC1 ZINC001313807091 1053241206 /nfs/dbraw/zinc/24/12/06/1053241206.db2.gz BVZIIZDMJHGDHN-UHFFFAOYSA-N 1 0 378.524 3.559 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001342699401 1053307825 /nfs/dbraw/zinc/30/78/25/1053307825.db2.gz LHTCFYBIRFYAHI-MLHJIOFPSA-N 1 0 393.526 3.924 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC(Oc2ccccc2)CC1 ZINC001342917698 1053432470 /nfs/dbraw/zinc/43/24/70/1053432470.db2.gz AVURBBUJRWAZHK-LJQANCHMSA-N 1 0 395.551 3.711 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 ZINC001314647789 1053548913 /nfs/dbraw/zinc/54/89/13/1053548913.db2.gz FKMPZHOWNLNTLE-UGKGYDQZSA-N 1 0 396.514 3.554 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(C#N)CCCC1 ZINC001343534747 1053850659 /nfs/dbraw/zinc/85/06/59/1053850659.db2.gz NPCOHLVJVQPNQJ-AZUAARDMSA-N 1 0 394.567 3.643 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001343557682 1053877978 /nfs/dbraw/zinc/87/79/78/1053877978.db2.gz LJWRGMMYIHSXKF-SESVDKBCSA-N 1 0 392.551 3.519 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001344017018 1054189306 /nfs/dbraw/zinc/18/93/06/1054189306.db2.gz NLSBQHNLHCDMRT-SESVDKBCSA-N 1 0 399.583 3.531 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2cccc2)cc1 ZINC001318348572 1054580320 /nfs/dbraw/zinc/58/03/20/1054580320.db2.gz NIHJMMUUVOAFLF-UHFFFAOYSA-N 1 0 386.499 3.612 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Nc3ccccc3Cl)CC2)CC1 ZINC001318368497 1054591825 /nfs/dbraw/zinc/59/18/25/1054591825.db2.gz ITVCOALXMHYEMF-UHFFFAOYSA-N 1 0 390.959 3.966 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001319104100 1055039042 /nfs/dbraw/zinc/03/90/42/1055039042.db2.gz CMVYANHSQGAOFV-UHFFFAOYSA-N 1 0 385.443 3.712 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001319488664 1055285527 /nfs/dbraw/zinc/28/55/27/1055285527.db2.gz GKQJONUQAZDCBG-KRWDZBQOSA-N 1 0 376.460 3.702 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(OCC#N)cc1 ZINC001319753443 1055444075 /nfs/dbraw/zinc/44/40/75/1055444075.db2.gz LCWKWTBJTUMDQJ-UHFFFAOYSA-N 1 0 393.491 3.754 20 30 GHEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001320719188 1055939168 /nfs/dbraw/zinc/93/91/68/1055939168.db2.gz RPXPOLPQAKBRIX-AYOQOUSVSA-N 1 0 375.472 3.511 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc(C#N)cc(Cl)n3)CC2)cc1 ZINC001354213803 1056432709 /nfs/dbraw/zinc/43/27/09/1056432709.db2.gz NUFJBFXSIWWYJY-UHFFFAOYSA-N 1 0 383.883 3.642 20 30 GHEDRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)CC#N ZINC001354603403 1056806226 /nfs/dbraw/zinc/80/62/26/1056806226.db2.gz ISJTTWMVIPZLCZ-QMTHXVAHSA-N 1 0 380.311 3.806 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(OCC#N)cc2)[NH+](C)C)cc1 ZINC001322702911 1056809835 /nfs/dbraw/zinc/80/98/35/1056809835.db2.gz OUNJMOHEXIDOQY-NRFANRHFSA-N 1 0 396.491 3.801 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492495913 1057031242 /nfs/dbraw/zinc/03/12/42/1057031242.db2.gz IMBVKXYPPPGPLT-RBUKOAKNSA-N 1 0 395.555 3.651 20 30 GHEDRO Cc1cccc([C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)N2CCOCC2)c1 ZINC001324329521 1057113073 /nfs/dbraw/zinc/11/30/73/1057113073.db2.gz BSJPHFRTDLRHMS-NSQNTRMNSA-N 1 0 375.516 3.582 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(c3ncc(Br)cc3C#N)CC2)cc1 ZINC001324417684 1057129468 /nfs/dbraw/zinc/12/94/68/1057129468.db2.gz OFMFBNMIQFTORN-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848555940 1057176545 /nfs/dbraw/zinc/17/65/45/1057176545.db2.gz YGWINNXWZNDSMO-LJQANCHMSA-N 1 0 387.524 3.603 20 30 GHEDRO COc1cc(C#N)cc(Br)c1OC(=O)c1ccc2c[nH+]cn2c1C ZINC001325219976 1057292433 /nfs/dbraw/zinc/29/24/33/1057292433.db2.gz CUJNAGFNABBRJF-UHFFFAOYSA-N 1 0 386.205 3.505 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCc2nc3cc(Cl)ccc3s2)c1 ZINC001325839891 1057371900 /nfs/dbraw/zinc/37/19/00/1057371900.db2.gz IKMFQHBZMVMSCP-UHFFFAOYSA-N 1 0 384.892 3.982 20 30 GHEDRO C[C@@H](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001325887921 1057380754 /nfs/dbraw/zinc/38/07/54/1057380754.db2.gz OFNJXUJECBBOFL-KRWDZBQOSA-N 1 0 386.540 3.762 20 30 GHEDRO COC(=O)/C=C/c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000848910301 1057414978 /nfs/dbraw/zinc/41/49/78/1057414978.db2.gz ICBXNVLPRJQCFG-FNORWQNLSA-N 1 0 384.407 3.520 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1[C@@]1(C)CCC=CO1 ZINC001356238778 1057442845 /nfs/dbraw/zinc/44/28/45/1057442845.db2.gz LBNDKBZTAOWNMR-JXHRLWIKSA-N 1 0 397.567 3.847 20 30 GHEDRO C[NH+]1CCC(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC001356305064 1057465979 /nfs/dbraw/zinc/46/59/79/1057465979.db2.gz OKWCYKSNAVTJDF-MRXNPFEDSA-N 1 0 389.908 3.751 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@H]1CCCC(F)(F)C1 ZINC000848986564 1057489926 /nfs/dbraw/zinc/48/99/26/1057489926.db2.gz FPRKDJRREYSGEH-SFHVURJKSA-N 1 0 397.510 3.983 20 30 GHEDRO C=C(C)CNC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000849003695 1057510341 /nfs/dbraw/zinc/51/03/41/1057510341.db2.gz ZXQKQEKDMHRPNB-HNNXBMFYSA-N 1 0 376.854 3.955 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCC1(c2cccc(Br)c2)CCC1 ZINC000849021035 1057527582 /nfs/dbraw/zinc/52/75/82/1057527582.db2.gz HZALTZLKIYHYNZ-UHFFFAOYSA-N 1 0 376.298 3.829 20 30 GHEDRO Cc1cc(C)n(-c2ccccc2CNC(NC(C)(C)C)=[NH+]C[C@H]2CCCCO2)n1 ZINC001338385248 1058541654 /nfs/dbraw/zinc/54/16/54/1058541654.db2.gz YRGRNGWBDNUABR-HXUWFJFHSA-N 1 0 397.567 3.892 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001440675680 1058577311 /nfs/dbraw/zinc/57/73/11/1058577311.db2.gz XDJWUSBFLZUINT-OAQYLSRUSA-N 1 0 379.504 3.697 20 30 GHEDRO CCC(CC)(C/N=C1/NS(=O)(=O)c2ccccc21)[NH2+][C@H](C)c1ccccc1 ZINC001338889718 1058860029 /nfs/dbraw/zinc/86/00/29/1058860029.db2.gz YDSYWKQCTNIOJJ-MRXNPFEDSA-N 1 0 385.533 3.635 20 30 GHEDRO C=CCn1c(-c2cccc3ccncc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001338892273 1058861346 /nfs/dbraw/zinc/86/13/46/1058861346.db2.gz CKDBBTOZGMOMKC-GOSISDBHSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001339004041 1058920948 /nfs/dbraw/zinc/92/09/48/1058920948.db2.gz PCUNFMNSHMCCPE-LJQANCHMSA-N 1 0 398.555 3.828 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001339004386 1058921572 /nfs/dbraw/zinc/92/15/72/1058921572.db2.gz UBLGZSIAPUNQNH-IBGZPJMESA-N 1 0 398.555 3.684 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC001442661371 1058989934 /nfs/dbraw/zinc/98/99/34/1058989934.db2.gz KYEBYBOGWUSAKA-QWFCFKBJSA-N 1 0 396.535 3.531 20 30 GHEDRO C=CCn1c(Cc2ccncc2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001339205244 1059011064 /nfs/dbraw/zinc/01/10/64/1059011064.db2.gz AAMWFQQZNDZFBQ-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC001339219600 1059018455 /nfs/dbraw/zinc/01/84/55/1059018455.db2.gz OVSOCIOTDJGWEP-UHFFFAOYSA-N 1 0 395.551 3.666 20 30 GHEDRO CCn1c(Cc2ccc(C#N)cc2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001339599688 1059336174 /nfs/dbraw/zinc/33/61/74/1059336174.db2.gz JMTBNOFVQSNVGF-UHFFFAOYSA-N 1 0 394.567 3.626 20 30 GHEDRO CCN(c1nnc([C@@H]2C[C@@H]2C#N)n1CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001339625265 1059354067 /nfs/dbraw/zinc/35/40/67/1059354067.db2.gz WFJCJYNHXDCNCI-VBSBHUPXSA-N 1 0 378.524 3.587 20 30 GHEDRO C=CCn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001339639760 1059364396 /nfs/dbraw/zinc/36/43/96/1059364396.db2.gz SUHFZEHXKJLMNL-QHCPKHFHSA-N 1 0 396.583 3.746 20 30 GHEDRO CCN(c1nnc(C(C)(C)CC#N)n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001339752041 1059441325 /nfs/dbraw/zinc/44/13/25/1059441325.db2.gz INWNNPAMQSLQQM-HKUYNNGSSA-N 1 0 380.540 3.668 20 30 GHEDRO C=CCn1c(CSC(C)(C)C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001340297546 1059836952 /nfs/dbraw/zinc/83/69/52/1059836952.db2.gz OSUXRKRVAAHZPJ-BBWFWOEESA-N 1 0 377.602 3.662 20 30 GHEDRO C=CCn1c(N2CCC([NH+](CC)CC)CC2)nnc1C(C)(C)COC(C)(C)C ZINC001340331565 1059863741 /nfs/dbraw/zinc/86/37/41/1059863741.db2.gz MSQXTWKJAGBMOQ-UHFFFAOYSA-N 1 0 391.604 3.867 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC001446913771 1059903117 /nfs/dbraw/zinc/90/31/17/1059903117.db2.gz VSGQGNWFIQLJFC-QFIPXVFZSA-N 1 0 390.531 3.919 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001340387344 1059905739 /nfs/dbraw/zinc/90/57/39/1059905739.db2.gz ZYWGRFAERXFWSV-KRWDZBQOSA-N 1 0 384.503 3.557 20 30 GHEDRO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001340492330 1059951979 /nfs/dbraw/zinc/95/19/79/1059951979.db2.gz XMLDBCXJXWZZKS-QGZVFWFLSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCn1c([C@H](O)/C=C/CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001340517608 1059959695 /nfs/dbraw/zinc/95/96/95/1059959695.db2.gz XLJUJOQYODQBOA-BQHJZSHBSA-N 1 0 387.572 3.699 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001340520055 1059960704 /nfs/dbraw/zinc/96/07/04/1059960704.db2.gz KBMCUEZZBGEVQH-UHFFFAOYSA-N 1 0 380.949 3.552 20 30 GHEDRO C=CCn1c(C[C@H](C)SCC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340528848 1059965177 /nfs/dbraw/zinc/96/51/77/1059965177.db2.gz DFBSIJAYOFDVBZ-SCTDSRPQSA-N 1 0 389.613 3.601 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CCCCC#N)n2Cc2ccccc2)[C@@H](C)C1 ZINC001340626371 1060000231 /nfs/dbraw/zinc/00/02/31/1060000231.db2.gz HFFORJSSFNLMRZ-FPOVZHCZSA-N 1 0 394.567 3.729 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001450060385 1060515392 /nfs/dbraw/zinc/51/53/92/1060515392.db2.gz FKHKMMQEVYWEHL-IEBWSBKVSA-N 1 0 393.572 3.569 20 30 GHEDRO C=C[C@@H](Cc1nnc(CC[NH+]2CCN(c3ccccc3)CC2)o1)c1ccccc1 ZINC001341345189 1060595581 /nfs/dbraw/zinc/59/55/81/1060595581.db2.gz AJCBZBMKZPRFGJ-FQEVSTJZSA-N 1 0 388.515 3.947 20 30 GHEDRO C=C(C)Cn1c(-c2csc(C)n2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342079409 1061044903 /nfs/dbraw/zinc/04/49/03/1061044903.db2.gz IXYQUBNCULJCOX-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC001346540570 1061666995 /nfs/dbraw/zinc/66/69/95/1061666995.db2.gz NIODDDKMHMGXKA-MRXNPFEDSA-N 1 0 376.298 3.720 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001346691140 1061794686 /nfs/dbraw/zinc/79/46/86/1061794686.db2.gz DXOGBJZFEYMXMS-FHWLQOOXSA-N 1 0 389.613 3.631 20 30 GHEDRO Cc1csc(SCc2c3ccccc3oc2C(=O)NCC#CC[NH+](C)C)n1 ZINC001454638339 1061897088 /nfs/dbraw/zinc/89/70/88/1061897088.db2.gz MDZWFMWEVANKDT-UHFFFAOYSA-N 1 0 399.541 3.785 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC001454653270 1061902910 /nfs/dbraw/zinc/90/29/10/1061902910.db2.gz UZGCRLKVAHSJBD-YLJYHZDGSA-N 1 0 378.520 3.558 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCC[N@H+](C)C1CCCCC1 ZINC001492781196 1061918800 /nfs/dbraw/zinc/91/88/00/1061918800.db2.gz OVFZZFPDENQHHT-UHFFFAOYSA-N 1 0 380.540 3.749 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC#N)[NH+](C)C ZINC001545812365 1062016861 /nfs/dbraw/zinc/01/68/61/1062016861.db2.gz NDVXXQWBNXKPAG-FXAWDEMLSA-N 1 0 397.571 3.753 20 30 GHEDRO C=C[C@H](C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1ccccc1 ZINC001347026525 1062056901 /nfs/dbraw/zinc/05/69/01/1062056901.db2.gz UWLCXNSFJYXJPA-QHCPKHFHSA-N 1 0 391.515 3.695 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001347332940 1062302868 /nfs/dbraw/zinc/30/28/68/1062302868.db2.gz FUXJOHTUERATTI-XMMPIXPASA-N 1 0 394.515 3.986 20 30 GHEDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001347662781 1062560877 /nfs/dbraw/zinc/56/08/77/1062560877.db2.gz ZPAMJRDJJZEYHD-GOSISDBHSA-N 1 0 379.504 3.987 20 30 GHEDRO C#CCC1(C(=O)Oc2ccc(C(=O)NCC[NH+](CC)CC)cc2)CCCCC1 ZINC001456271881 1062586845 /nfs/dbraw/zinc/58/68/45/1062586845.db2.gz BBKWJXMXTGLZEQ-UHFFFAOYSA-N 1 0 384.520 3.637 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2nnc(CC(C)(C)C#N)n2CC2CC2)CC1 ZINC001348134636 1062932773 /nfs/dbraw/zinc/93/27/73/1062932773.db2.gz OAUPYUFMNINCQZ-SFHVURJKSA-N 1 0 392.551 3.664 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(Cl)n2)[NH+]2CCCCC2)cc1 ZINC001348283409 1062978443 /nfs/dbraw/zinc/97/84/43/1062978443.db2.gz MZCNXEWGMRNQTE-LJQANCHMSA-N 1 0 398.894 3.572 20 30 GHEDRO N#Cc1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001348385445 1063041318 /nfs/dbraw/zinc/04/13/18/1063041318.db2.gz PKUPIKVTMPAWSO-WOJBJXKFSA-N 1 0 389.480 3.836 20 30 GHEDRO C[C@H](CNc1cc(C#N)c(Br)cn1)[N@@H+]1CCc2sccc2C1 ZINC001458146953 1063602312 /nfs/dbraw/zinc/60/23/12/1063602312.db2.gz ZYBYUNLZPVJIBG-LLVKDONJSA-N 1 0 377.311 3.636 20 30 GHEDRO C[N@@H+]1CCN(c2cc(Br)c(C#N)cc2F)C[C@H]1Cc1ccccc1 ZINC001458365939 1063765345 /nfs/dbraw/zinc/76/53/45/1063765345.db2.gz FORXJYZUPXHCRL-MRXNPFEDSA-N 1 0 388.284 3.823 20 30 GHEDRO Cc1cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC001458460863 1063823613 /nfs/dbraw/zinc/82/36/13/1063823613.db2.gz GXRXLELGZPQAFT-ZACQAIPSSA-N 1 0 377.492 3.577 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3c(C)cccc3C#N)cc2)CC1 ZINC001459235227 1064030880 /nfs/dbraw/zinc/03/08/80/1064030880.db2.gz FGKDQHHFQWNIBP-UHFFFAOYSA-N 1 0 394.544 3.739 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O ZINC001459396661 1064085937 /nfs/dbraw/zinc/08/59/37/1064085937.db2.gz SSWWCTQXTXSBII-LFGUQSLTSA-N 1 0 384.520 3.829 20 30 GHEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459643390 1064152925 /nfs/dbraw/zinc/15/29/25/1064152925.db2.gz JYQJNWJKZGMCGO-INIZCTEOSA-N 1 0 398.425 3.878 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001460035745 1064364511 /nfs/dbraw/zinc/36/45/11/1064364511.db2.gz CRVYCQRFLPLBJW-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(CCCC#N)n2CC2CC2)C1 ZINC001351358022 1064401632 /nfs/dbraw/zinc/40/16/32/1064401632.db2.gz BEQVNNUITGNJBI-UYAOXDASSA-N 1 0 384.572 3.625 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3(C#N)CCCCC3)n2CC2CC2)C1 ZINC001351360293 1064404413 /nfs/dbraw/zinc/40/44/13/1064404413.db2.gz SNHPIKWZHPDNDP-LJQANCHMSA-N 1 0 384.572 3.582 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)Cc1c(C)cc(C#N)cc1C)[NH+](C)C ZINC001463517785 1064427407 /nfs/dbraw/zinc/42/74/07/1064427407.db2.gz NNOJBIBTMKXOJU-XMSQKQJNSA-N 1 0 399.560 3.594 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001351562044 1064515915 /nfs/dbraw/zinc/51/59/15/1064515915.db2.gz HZVJWGKFKPCVSZ-MRXNPFEDSA-N 1 0 396.495 3.547 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC001463722189 1064571345 /nfs/dbraw/zinc/57/13/45/1064571345.db2.gz MABNZHLXDQEKFA-UHFFFAOYSA-N 1 0 396.535 3.822 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC001464626068 1065119445 /nfs/dbraw/zinc/11/94/45/1065119445.db2.gz FBYPDZUJCXUNDH-INIZCTEOSA-N 1 0 381.314 3.629 20 30 GHEDRO CCn1c(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nnc1C(C)(C)CC#N ZINC001352637483 1065196084 /nfs/dbraw/zinc/19/60/84/1065196084.db2.gz OESGLSBJGGFNNF-UHFFFAOYSA-N 1 0 394.567 3.838 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CC1 ZINC001464907477 1065267860 /nfs/dbraw/zinc/26/78/60/1065267860.db2.gz MVMLOGYTUFNPAZ-UHFFFAOYSA-N 1 0 392.475 3.935 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000847496289 1065455952 /nfs/dbraw/zinc/45/59/52/1065455952.db2.gz OJQHUZCAMMSIDC-RTWAWAEBSA-N 1 0 377.488 3.506 20 30 GHEDRO C#CCOc1ccc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)cc1 ZINC001465628696 1065755950 /nfs/dbraw/zinc/75/59/50/1065755950.db2.gz SVAIPJCOUIBBIE-UHFFFAOYSA-N 1 0 377.488 3.875 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)CC)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300270760 1065896102 /nfs/dbraw/zinc/89/61/02/1065896102.db2.gz FAUDESISEWBEGG-IRFCIJBXSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300293811 1065943303 /nfs/dbraw/zinc/94/33/03/1065943303.db2.gz SEBKCXWKTJTVSL-RTBURBONSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001300304777 1065960943 /nfs/dbraw/zinc/96/09/43/1065960943.db2.gz VITCBVKEIXAJQL-SESVDKBCSA-N 1 0 395.551 3.589 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)C)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001300312413 1065970887 /nfs/dbraw/zinc/97/08/87/1065970887.db2.gz ZRMJIAISWTWVOF-RBUKOAKNSA-N 1 0 383.540 3.755 20 30 GHEDRO COc1cc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000847745281 1066013404 /nfs/dbraw/zinc/01/34/04/1066013404.db2.gz FDGCAWNPKSDPDD-UHFFFAOYSA-N 1 0 392.499 3.895 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300340187 1066040506 /nfs/dbraw/zinc/04/05/06/1066040506.db2.gz VZZGQAIDHWHSGR-OAQYLSRUSA-N 1 0 379.552 3.916 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001200402247 1066108544 /nfs/dbraw/zinc/10/85/44/1066108544.db2.gz DAYFRMWZZWNMHY-RTWAWAEBSA-N 1 0 389.499 3.684 20 30 GHEDRO C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001300392279 1066197402 /nfs/dbraw/zinc/19/74/02/1066197402.db2.gz QFMWTHKOXUWHLG-QFIPXVFZSA-N 1 0 391.563 3.986 20 30 GHEDRO C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300417032 1066276824 /nfs/dbraw/zinc/27/68/24/1066276824.db2.gz PDGLDNXNGMVKQT-UHFFFAOYSA-N 1 0 399.608 3.900 20 30 GHEDRO C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300432247 1066316355 /nfs/dbraw/zinc/31/63/55/1066316355.db2.gz UMACGEDBWMQKDJ-TZIWHRDSSA-N 1 0 379.552 3.621 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)[NH+](CC)CC ZINC001300438706 1066332808 /nfs/dbraw/zinc/33/28/08/1066332808.db2.gz SWOLAKMAHWXGLZ-GOSISDBHSA-N 1 0 390.535 3.601 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300440928 1066339425 /nfs/dbraw/zinc/33/94/25/1066339425.db2.gz BMIOAFCRWGXOJN-GOSISDBHSA-N 1 0 379.508 3.737 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001467004544 1066441573 /nfs/dbraw/zinc/44/15/73/1066441573.db2.gz WUSNPRYCSAIXDA-QZTJIDSGSA-N 1 0 391.475 3.802 20 30 GHEDRO COc1cc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c(F)cc1C#N ZINC001467073910 1067050518 /nfs/dbraw/zinc/05/05/18/1067050518.db2.gz CUTJEZRYEQQIFH-HZPDHXFCSA-N 1 0 396.466 3.833 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)c(C#N)c1 ZINC001467174073 1067121293 /nfs/dbraw/zinc/12/12/93/1067121293.db2.gz ZNXGHKCJGJGXID-LJQANCHMSA-N 1 0 392.503 3.943 20 30 GHEDRO Cc1c(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)noc1C(C)(C)C ZINC001467190515 1067138164 /nfs/dbraw/zinc/13/81/64/1067138164.db2.gz XGVQLRBVLGGJKK-UHFFFAOYSA-N 1 0 395.507 3.938 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001467727238 1067438632 /nfs/dbraw/zinc/43/86/32/1067438632.db2.gz BJNSSOBQXFYAGU-UHFFFAOYSA-N 1 0 387.524 3.564 20 30 GHEDRO CN(CCCC[NH+]1CCCCC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001467909804 1067524244 /nfs/dbraw/zinc/52/42/44/1067524244.db2.gz NJSRKBNMWLVSFP-UHFFFAOYSA-N 1 0 395.469 3.964 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCCCC[NH+]1CCCC1 ZINC001358883153 1067594764 /nfs/dbraw/zinc/59/47/64/1067594764.db2.gz OSCROCCRIBFJCZ-LJQANCHMSA-N 1 0 395.551 3.678 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CC[N@H+]1CCCC[C@H]1CC ZINC001358882994 1067594977 /nfs/dbraw/zinc/59/49/77/1067594977.db2.gz LPIDRZXTEXBJED-VQTJNVASSA-N 1 0 379.552 3.976 20 30 GHEDRO C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001358923091 1067614934 /nfs/dbraw/zinc/61/49/34/1067614934.db2.gz BGYAJFSVOIMXKX-RXVVDRJESA-N 1 0 377.536 3.594 20 30 GHEDRO C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001358932659 1067618618 /nfs/dbraw/zinc/61/86/18/1067618618.db2.gz RUSRYVFSGQANIH-UHFFFAOYSA-N 1 0 397.592 3.799 20 30 GHEDRO C#CCCCn1c(CCCc2ccccc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001358933349 1067618781 /nfs/dbraw/zinc/61/87/81/1067618781.db2.gz QIPWTWIUCCAIFL-UHFFFAOYSA-N 1 0 393.579 3.645 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC1CC[NH+](CCC)CC1 ZINC001358942693 1067623404 /nfs/dbraw/zinc/62/34/04/1067623404.db2.gz FSLHHJWEIUDPFZ-UHFFFAOYSA-N 1 0 379.552 3.699 20 30 GHEDRO C#CCN(C)c1nnc(C2CCCC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001358948151 1067626926 /nfs/dbraw/zinc/62/69/26/1067626926.db2.gz VNLXZPZMMXMTQS-UHFFFAOYSA-N 1 0 391.563 3.842 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001358985413 1067635905 /nfs/dbraw/zinc/63/59/05/1067635905.db2.gz YAVKLZLFLYNCIT-SFTDATJTSA-N 1 0 383.584 3.909 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358992536 1067639073 /nfs/dbraw/zinc/63/90/73/1067639073.db2.gz OKYTXVYUZLHEQG-OYRHEFFESA-N 1 0 395.595 3.767 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001359070955 1067671479 /nfs/dbraw/zinc/67/14/79/1067671479.db2.gz YTIAQRABGKICPY-SXWKCWPCSA-N 1 0 399.583 3.776 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359177047 1067736352 /nfs/dbraw/zinc/73/63/52/1067736352.db2.gz YNJGNPKKPBBFCG-UHFFFAOYSA-N 1 0 377.536 3.918 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001359177183 1067737034 /nfs/dbraw/zinc/73/70/34/1067737034.db2.gz DHKZQJRHBFCFRQ-UHFFFAOYSA-N 1 0 382.556 3.798 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)C1=C(C)C(C(C)=O)C(C)=N1)C(=S)NCC1CC1 ZINC000849175348 1067754797 /nfs/dbraw/zinc/75/47/97/1067754797.db2.gz UMWWOPFTJMJFCS-UHFFFAOYSA-O 1 0 398.552 3.742 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001468637641 1067800246 /nfs/dbraw/zinc/80/02/46/1067800246.db2.gz BHSBOLZXJCAIIL-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO C=CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359232860 1067835532 /nfs/dbraw/zinc/83/55/32/1067835532.db2.gz HZUSLNQACSZEDG-NRFANRHFSA-N 1 0 390.535 3.764 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@H+]1CCC ZINC001359245429 1067866953 /nfs/dbraw/zinc/86/69/53/1067866953.db2.gz OSUNFMKBLSRFTL-IPMKNSEASA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC001359248522 1067889118 /nfs/dbraw/zinc/88/91/18/1067889118.db2.gz RMRAQIMDCBEUJO-GOSISDBHSA-N 1 0 395.551 3.840 20 30 GHEDRO C=CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCC[N@H+]1CCC)C1CC1 ZINC001359249618 1067898600 /nfs/dbraw/zinc/89/86/00/1067898600.db2.gz JSJXUSUQHYFBEW-FQEVSTJZSA-N 1 0 380.540 3.759 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1CC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC001359252076 1067904114 /nfs/dbraw/zinc/90/41/14/1067904114.db2.gz DTZZREVMQSNSCN-IBGZPJMESA-N 1 0 394.567 3.683 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1CC[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC001359252077 1067904247 /nfs/dbraw/zinc/90/42/47/1067904247.db2.gz DTZZREVMQSNSCN-LJQANCHMSA-N 1 0 394.567 3.683 20 30 GHEDRO C=CCN(c1nnc(COCC)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC001359253755 1067908676 /nfs/dbraw/zinc/90/86/76/1067908676.db2.gz SOHFFUMPZXSDAA-ROUUACIJSA-N 1 0 389.588 3.726 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CCC1CC[NH+](CC)CC1 ZINC001359255925 1067914317 /nfs/dbraw/zinc/91/43/17/1067914317.db2.gz OTDHGBUXDKLOFW-UHFFFAOYSA-N 1 0 392.551 3.773 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001468956715 1067937572 /nfs/dbraw/zinc/93/75/72/1067937572.db2.gz ZHCBZLHJSMQLGG-XPWALMASSA-N 1 0 388.515 3.658 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C)n1CC1(SC)CC[NH+](C)CC1 ZINC001359274718 1067942996 /nfs/dbraw/zinc/94/29/96/1067942996.db2.gz XSNRUFMZZFHMPM-UHFFFAOYSA-N 1 0 399.608 3.649 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359274178 1067943034 /nfs/dbraw/zinc/94/30/34/1067943034.db2.gz DVWSPFOILQZQKF-WOJBJXKFSA-N 1 0 387.572 3.676 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCc1cccc(C#N)c1 ZINC001469089552 1067975148 /nfs/dbraw/zinc/97/51/48/1067975148.db2.gz FMEAJHRHPQVVFZ-WMZHIEFXSA-N 1 0 390.531 3.653 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCC[N@H+]2CCC)C1 ZINC001359319804 1068030840 /nfs/dbraw/zinc/03/08/40/1068030840.db2.gz GFCOFXRYYGEFEZ-PMACEKPBSA-N 1 0 387.572 3.591 20 30 GHEDRO CC(C)c1nnc(N2CCC(C)(C#N)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001359693470 1068137004 /nfs/dbraw/zinc/13/70/04/1068137004.db2.gz OSBMUGORDRIARB-UHFFFAOYSA-N 1 0 398.530 3.803 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C)[NH+](C)C ZINC001359766579 1068176372 /nfs/dbraw/zinc/17/63/72/1068176372.db2.gz PYTHIHKEZFGHPO-FXAWDEMLSA-N 1 0 380.540 3.782 20 30 GHEDRO C#C[C@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC001478023696 1078677384 /nfs/dbraw/zinc/67/73/84/1078677384.db2.gz BMZUEFCMOLGSCS-SFHVURJKSA-N 1 0 392.341 3.545 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001360476450 1068524080 /nfs/dbraw/zinc/52/40/80/1068524080.db2.gz MHDMWYMELWVTLL-INIZCTEOSA-N 1 0 398.580 3.794 20 30 GHEDRO C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(C#N)cc1)[N@H+](C)C1CC1 ZINC001360568081 1068563996 /nfs/dbraw/zinc/56/39/96/1068563996.db2.gz BJHVPBHXSUWURA-QGZVFWFLSA-N 1 0 394.567 3.857 20 30 GHEDRO C[C@@H](Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001360595186 1068576873 /nfs/dbraw/zinc/57/68/73/1068576873.db2.gz YRHZJAXPVWDWNV-GOSISDBHSA-N 1 0 394.567 3.816 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC001478234321 1078777294 /nfs/dbraw/zinc/77/72/94/1078777294.db2.gz SEIUSSXYWCYHHU-LSDHHAIUSA-N 1 0 381.442 3.594 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC001460528375 1068989019 /nfs/dbraw/zinc/98/90/19/1068989019.db2.gz YOKFVTRAQNWJRR-KXBFYZLASA-N 1 0 382.895 3.749 20 30 GHEDRO COc1ccccc1-c1ccnc(C2CC[NH+](Cc3cc(C#N)ccn3)CC2)n1 ZINC001460545615 1068992380 /nfs/dbraw/zinc/99/23/80/1068992380.db2.gz SZTUFVQJIGAACF-UHFFFAOYSA-N 1 0 385.471 3.798 20 30 GHEDRO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001460597772 1069016347 /nfs/dbraw/zinc/01/63/47/1069016347.db2.gz JDDUQANGBIDWQH-OAQYLSRUSA-N 1 0 390.458 3.693 20 30 GHEDRO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC001460652718 1069058699 /nfs/dbraw/zinc/05/86/99/1069058699.db2.gz KVCSOKLTYYDXJK-GCJKJVERSA-N 1 0 386.442 3.673 20 30 GHEDRO Cc1ccnc(-c2noc(CC3CC[NH+](Cc4ccc(F)c(C#N)c4)CC3)n2)c1 ZINC001460715481 1069115163 /nfs/dbraw/zinc/11/51/63/1069115163.db2.gz FQVZKTKIUPNODY-UHFFFAOYSA-N 1 0 391.450 3.906 20 30 GHEDRO C=CCC[C@@H](C(=O)N1CC[NH2+][C@H](Cc2cccc(OC)c2)C1)c1ccccc1 ZINC001470732340 1072711109 /nfs/dbraw/zinc/71/11/09/1072711109.db2.gz SFCAIZKVYDHSKD-FYYLOGMGSA-N 1 0 378.516 3.788 20 30 GHEDRO C[C@@H]1CC(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)C1 ZINC001470750694 1072720821 /nfs/dbraw/zinc/72/08/21/1072720821.db2.gz LKFHBKRVKFBEGG-OALUTQOASA-N 1 0 382.552 3.848 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001478766281 1078979883 /nfs/dbraw/zinc/97/98/83/1078979883.db2.gz NRFLGSHBHJXGLS-XMSQKQJNSA-N 1 0 388.515 3.900 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(C)c(C#N)c3)CC2)cc1 ZINC001471299378 1073003965 /nfs/dbraw/zinc/00/39/65/1073003965.db2.gz UONOSBKDOFLSQW-UHFFFAOYSA-N 1 0 376.504 3.593 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1)c1ccccc1 ZINC001478897043 1079019660 /nfs/dbraw/zinc/01/96/60/1079019660.db2.gz RWBJJXCUVQKCGG-XZOQPEGZSA-N 1 0 375.516 3.913 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001471556368 1073132761 /nfs/dbraw/zinc/13/27/61/1073132761.db2.gz GEPZIQVIRMOAOI-SFTDATJTSA-N 1 0 386.540 3.881 20 30 GHEDRO C=CCC1(O)CCN(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001479108292 1079107629 /nfs/dbraw/zinc/10/76/29/1079107629.db2.gz XSVQVGIGCZTDPF-NRFANRHFSA-N 1 0 385.552 3.544 20 30 GHEDRO N#Cc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc(C2CC2)n1 ZINC001472720642 1073634547 /nfs/dbraw/zinc/63/45/47/1073634547.db2.gz SGSBSXRSLPGXIB-UHFFFAOYSA-N 1 0 391.519 3.709 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001472755162 1073651966 /nfs/dbraw/zinc/65/19/66/1073651966.db2.gz NNQZSSXCWJIHDH-INIZCTEOSA-N 1 0 393.384 3.895 20 30 GHEDRO Cc1ccc(N2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)[C@@H](C)C2)cc1C ZINC001473204477 1073857256 /nfs/dbraw/zinc/85/72/56/1073857256.db2.gz SDYXJXXFNPHAQB-IBGZPJMESA-N 1 0 376.504 3.714 20 30 GHEDRO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)CC2(C#N)CCC2)c1 ZINC001473224780 1073873041 /nfs/dbraw/zinc/87/30/41/1073873041.db2.gz XRSXLQWQMVZVEI-FYYLOGMGSA-N 1 0 394.515 3.676 20 30 GHEDRO CSc1ccc(CNC(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1C#N ZINC001479312476 1079177456 /nfs/dbraw/zinc/17/74/56/1079177456.db2.gz HZLLFPLHPLFEDY-UHFFFAOYSA-N 1 0 396.560 3.596 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c1 ZINC001473276029 1073902787 /nfs/dbraw/zinc/90/27/87/1073902787.db2.gz TYUSPGXDJWMIAA-QFIPXVFZSA-N 1 0 389.499 3.803 20 30 GHEDRO C=C[C@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473433737 1073961788 /nfs/dbraw/zinc/96/17/88/1073961788.db2.gz DJQSZJNQFVPSDC-FXAWDEMLSA-N 1 0 375.944 3.634 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001473463603 1073978221 /nfs/dbraw/zinc/97/82/21/1073978221.db2.gz PTLRYZMRWIGDRG-LJQANCHMSA-N 1 0 388.531 3.659 20 30 GHEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001473488268 1073986530 /nfs/dbraw/zinc/98/65/30/1073986530.db2.gz GHLXPEHTLZNGMA-VQIMIIECSA-N 1 0 377.326 3.953 20 30 GHEDRO N#Cc1ccnc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1 ZINC001473505057 1073992824 /nfs/dbraw/zinc/99/28/24/1073992824.db2.gz NJDJCRVEENASFX-NZQKXSOJSA-N 1 0 389.430 3.633 20 30 GHEDRO CC(C)(C)OC(=O)NCCC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC001473603677 1074042785 /nfs/dbraw/zinc/04/27/85/1074042785.db2.gz PZBRUWUERPQHND-UHFFFAOYSA-N 1 0 387.524 3.954 20 30 GHEDRO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001473681984 1074083298 /nfs/dbraw/zinc/08/32/98/1074083298.db2.gz VLMBJCLNBYRJQN-FQEVSTJZSA-N 1 0 378.520 3.701 20 30 GHEDRO COc1cc(C#N)ccc1CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718552 1074105482 /nfs/dbraw/zinc/10/54/82/1074105482.db2.gz MNIUSZVCDNGESI-PSWAGMNNSA-N 1 0 375.516 3.911 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+]CC2(C3(O)CCC3)CCC2)sc2c1CCCCC2 ZINC001473786602 1074142370 /nfs/dbraw/zinc/14/23/70/1074142370.db2.gz FJZPJMUFQOLOMQ-UHFFFAOYSA-N 1 0 387.549 3.502 20 30 GHEDRO C=CCC1(O)CC[NH+](CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001473809681 1074155425 /nfs/dbraw/zinc/15/54/25/1074155425.db2.gz PFLYZLOWMRDIBW-OAQYLSRUSA-N 1 0 386.536 3.542 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC001473816496 1074158393 /nfs/dbraw/zinc/15/83/93/1074158393.db2.gz DBPFOEXRYPUVGN-UHFFFAOYSA-N 1 0 392.503 3.931 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H]3COc3ccc(F)cc3)C2=O)cc1 ZINC001473834182 1074165592 /nfs/dbraw/zinc/16/55/92/1074165592.db2.gz MYTRYXDBJYDHTL-RBBKRZOGSA-N 1 0 393.462 3.736 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc2ccccc21 ZINC001473862099 1074179116 /nfs/dbraw/zinc/17/91/16/1074179116.db2.gz CUDFSMIFSTWZFL-INIZCTEOSA-N 1 0 394.496 3.845 20 30 GHEDRO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473877233 1074187539 /nfs/dbraw/zinc/18/75/39/1074187539.db2.gz LXSKCNHYDPTUIK-AZUAARDMSA-N 1 0 388.943 3.735 20 30 GHEDRO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473877239 1074187558 /nfs/dbraw/zinc/18/75/58/1074187558.db2.gz LXSKCNHYDPTUIK-UYAOXDASSA-N 1 0 388.943 3.735 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)cc1 ZINC001474150942 1074278205 /nfs/dbraw/zinc/27/82/05/1074278205.db2.gz FNPQAPUCTHZASR-UHFFFAOYSA-N 1 0 395.890 3.917 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC001474196131 1074289889 /nfs/dbraw/zinc/28/98/89/1074289889.db2.gz KLUKRJHOSWDTKJ-UHFFFAOYSA-N 1 0 385.414 3.681 20 30 GHEDRO COC(=O)c1ccc(CNCc2cc(C#N)ccc2F)cc1Br ZINC001474708647 1074527585 /nfs/dbraw/zinc/52/75/85/1074527585.db2.gz ZARDBNCGJZUXDJ-UHFFFAOYSA-N 1 0 377.213 3.536 20 30 GHEDRO C[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC001493697756 1079288225 /nfs/dbraw/zinc/28/82/25/1079288225.db2.gz QLXXSORWNVQDNW-ZWKOTPCHSA-N 1 0 392.551 3.784 20 30 GHEDRO C[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493697754 1079288374 /nfs/dbraw/zinc/28/83/74/1079288374.db2.gz QLXXSORWNVQDNW-QZTJIDSGSA-N 1 0 392.551 3.784 20 30 GHEDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC001474832181 1074584422 /nfs/dbraw/zinc/58/44/22/1074584422.db2.gz HWNKMNOMZDTRNG-QGZVFWFLSA-N 1 0 397.544 3.577 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC001476082977 1075081681 /nfs/dbraw/zinc/08/16/81/1075081681.db2.gz SLGRKNKHKSHXBJ-APWZRJJASA-N 1 0 392.459 3.527 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737728008 598562051 /nfs/dbraw/zinc/56/20/51/598562051.db2.gz WKSWVUDRJUUKOT-UHFFFAOYSA-N 1 0 396.454 3.607 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C1 ZINC000736791812 600593179 /nfs/dbraw/zinc/59/31/79/600593179.db2.gz DRAKVXPJZZBWIX-VGSWGCGISA-N 1 0 377.488 3.706 20 30 GHEDRO FC(F)(F)c1ccc(C#CC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826368213 608530994 /nfs/dbraw/zinc/53/09/94/608530994.db2.gz HBWHFSWHBQLTOA-UHFFFAOYSA-N 1 0 383.377 3.516 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825038738 609341283 /nfs/dbraw/zinc/34/12/83/609341283.db2.gz HDQIXBAXTSNQHR-XJKSGUPXSA-N 1 0 380.427 3.538 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413217 718880637 /nfs/dbraw/zinc/88/06/37/718880637.db2.gz DSGOXQKIWKMSQO-LBPRGKRZSA-N 1 0 394.775 3.805 20 30 GHEDRO COc1cc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)c(C#N)c(Cl)n1 ZINC001164420806 718892166 /nfs/dbraw/zinc/89/21/66/718892166.db2.gz WBBJUKXSPOSRFF-HNNXBMFYSA-N 1 0 384.858 3.519 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627963 719052108 /nfs/dbraw/zinc/05/21/08/719052108.db2.gz WTQDZRCHEBJPDQ-NVXWUHKLSA-N 1 0 399.951 3.824 20 30 GHEDRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)C[C@H]21 ZINC001164667757 719482326 /nfs/dbraw/zinc/48/23/26/719482326.db2.gz MQRRKAPWYPNGGK-DHIUTWEWSA-N 1 0 396.494 3.806 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(CC#N)c(C)n2)CC3)cs1 ZINC001164694004 719814489 /nfs/dbraw/zinc/81/44/89/719814489.db2.gz ZQDAFKROECUTMC-UHFFFAOYSA-N 1 0 381.549 3.856 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834609 720514848 /nfs/dbraw/zinc/51/48/48/720514848.db2.gz GRUYXYUJXHQLPK-TUNNFDKTSA-N 1 0 392.551 3.651 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(C#N)c[nH]c3n1)CC2 ZINC001164793015 721496725 /nfs/dbraw/zinc/49/67/25/721496725.db2.gz ZCSWFTOIHWWVCM-UHFFFAOYSA-N 1 0 386.503 3.711 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1cccs1 ZINC000581243717 837486993 /nfs/dbraw/zinc/48/69/93/837486993.db2.gz ZCMWUQWSJNQLLX-UZLBHIALSA-N 1 0 397.519 3.990 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000581285764 837505009 /nfs/dbraw/zinc/50/50/09/837505009.db2.gz KDVYSTONVUCLJY-KRWDZBQOSA-N 1 0 385.467 3.938 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000176711959 837508779 /nfs/dbraw/zinc/50/87/79/837508779.db2.gz BSCFKGTZHJAXAY-OAQYLSRUSA-N 1 0 397.906 3.680 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(CCC#N)CC2CC2)CC1 ZINC000176804031 837556877 /nfs/dbraw/zinc/55/68/77/837556877.db2.gz WDNKIPSDXYKAKA-UHFFFAOYSA-N 1 0 389.931 3.639 20 30 GHEDRO C[C@H](CCO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000180980774 837754231 /nfs/dbraw/zinc/75/42/31/837754231.db2.gz OBEPEERTLSNEAI-MRXNPFEDSA-N 1 0 397.544 3.710 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000274559368 834412230 /nfs/dbraw/zinc/41/22/30/834412230.db2.gz WBSUMQNDBPQOPA-FQEVSTJZSA-N 1 0 375.513 3.553 20 30 GHEDRO N#Cc1cccc(OCC[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 ZINC000053040367 834542041 /nfs/dbraw/zinc/54/20/41/834542041.db2.gz NFFCZDMFZKGGHR-UHFFFAOYSA-N 1 0 399.878 3.647 20 30 GHEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001211587171 834599242 /nfs/dbraw/zinc/59/92/42/834599242.db2.gz XWCDQPVZLDQTPK-UHFFFAOYSA-N 1 0 391.581 3.763 20 30 GHEDRO CC(C)N1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245859801 834741896 /nfs/dbraw/zinc/74/18/96/834741896.db2.gz NILZSNYONCGRJP-RBUKOAKNSA-N 1 0 392.906 3.948 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)nc1 ZINC000430175830 834769866 /nfs/dbraw/zinc/76/98/66/834769866.db2.gz DFCVECXLVSRPAP-QFIPXVFZSA-N 1 0 386.455 3.581 20 30 GHEDRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000329294376 834783410 /nfs/dbraw/zinc/78/34/10/834783410.db2.gz OFIBTXTUBRJXEI-HNAYVOBHSA-N 1 0 385.537 3.502 20 30 GHEDRO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329338282 834865789 /nfs/dbraw/zinc/86/57/89/834865789.db2.gz YPCOMISJRFCNPN-ZDUSSCGKSA-N 1 0 382.386 3.952 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000583701128 834895340 /nfs/dbraw/zinc/89/53/40/834895340.db2.gz DIBLKUUKQGQXMS-CTNGQTDRSA-N 1 0 376.504 3.823 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000246869137 834913820 /nfs/dbraw/zinc/91/38/20/834913820.db2.gz UNJPDHYSYNEOHS-JTHBVZDNSA-N 1 0 389.499 3.694 20 30 GHEDRO c1coc(CCNC(N[C@@H]2CCOC3(CCSCC3)C2)=[NH+]C2CCCC2)c1 ZINC000262667680 834944480 /nfs/dbraw/zinc/94/44/80/834944480.db2.gz NYZAHZUPELDELQ-GOSISDBHSA-N 1 0 391.581 3.745 20 30 GHEDRO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000262779093 834958580 /nfs/dbraw/zinc/95/85/80/834958580.db2.gz IQVMZSMQZOGDCE-SWLSCSKDSA-N 1 0 377.366 3.548 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)c2c(F)cc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000510086042 835040309 /nfs/dbraw/zinc/04/03/09/835040309.db2.gz OOSAFHJJYGEWDY-DOTOQJQBSA-N 1 0 383.442 3.867 20 30 GHEDRO N#CCCN(C(=O)CN[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000611938692 835084062 /nfs/dbraw/zinc/08/40/62/835084062.db2.gz UCOXWJXSHHPOKS-HSZRJFAPSA-N 1 0 390.531 3.750 20 30 GHEDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCC1CCOCC1 ZINC000329559393 835248005 /nfs/dbraw/zinc/24/80/05/835248005.db2.gz IJGZJIPGKVDAMZ-VQTJNVASSA-N 1 0 387.524 3.562 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000583968972 835319440 /nfs/dbraw/zinc/31/94/40/835319440.db2.gz IJHJLGMHQJVPFF-OXJNMPFZSA-N 1 0 386.455 3.779 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)/C=C\c3ccccc3C#N)CC2)cc1 ZINC000254951995 835378346 /nfs/dbraw/zinc/37/83/46/835378346.db2.gz FNUSUUKQUKJFLM-FLIBITNWSA-N 1 0 389.499 3.608 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)c2)c1 ZINC000179373032 835584391 /nfs/dbraw/zinc/58/43/91/835584391.db2.gz XZUFFVPFMOJKQL-OAQYLSRUSA-N 1 0 378.472 3.722 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]4COCC[C@H]43)sc2C1 ZINC000584099422 835588109 /nfs/dbraw/zinc/58/81/09/835588109.db2.gz NSXPTQSYHAMELI-RVKKMQEKSA-N 1 0 387.549 3.574 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000512527754 844069095 /nfs/dbraw/zinc/06/90/95/844069095.db2.gz XGXVOTWIWKMGAL-QGZVFWFLSA-N 1 0 386.565 3.877 20 30 GHEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000612137634 835651025 /nfs/dbraw/zinc/65/10/25/835651025.db2.gz KUXWLXQMSDMMQM-LLBVYWAGSA-N 1 0 380.488 3.584 20 30 GHEDRO CCOCCC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCCC1 ZINC000278653643 835716609 /nfs/dbraw/zinc/71/66/09/835716609.db2.gz MOBNXKGRLDSDJM-UHFFFAOYSA-N 1 0 381.524 3.935 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000120561841 835740163 /nfs/dbraw/zinc/74/01/63/835740163.db2.gz SUMCQOHDRRRXGJ-QFIPXVFZSA-N 1 0 384.483 3.901 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC[C@@H]3CCCO3)sc2C1 ZINC000467162580 835793443 /nfs/dbraw/zinc/79/34/43/835793443.db2.gz YWCPTEGSAZLGPX-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000176099183 844098006 /nfs/dbraw/zinc/09/80/06/844098006.db2.gz NMYKAYYBYUFBNG-KRWDZBQOSA-N 1 0 375.472 3.998 20 30 GHEDRO CC(=NOCC[NH+]1CCCCC1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C ZINC000588596067 835913351 /nfs/dbraw/zinc/91/33/51/835913351.db2.gz SWOOQSVKDKWTKT-UHFFFAOYSA-N 1 0 395.429 3.821 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)[NH+]2CCCCC2)cc1 ZINC000612355626 836109152 /nfs/dbraw/zinc/10/91/52/836109152.db2.gz CELINIOAUSDYTP-RBBKRZOGSA-N 1 0 384.524 3.557 20 30 GHEDRO Cc1ccc(SCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931343 836252306 /nfs/dbraw/zinc/25/23/06/836252306.db2.gz IQYVCFVKCTXSSP-UHFFFAOYSA-N 1 0 381.545 3.939 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000065931256 836252866 /nfs/dbraw/zinc/25/28/66/836252866.db2.gz GDAIRGHQQHAVJE-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1 ZINC000613389148 836254887 /nfs/dbraw/zinc/25/48/87/836254887.db2.gz JJNPAFZSSAGPHG-ZRCGQRJVSA-N 1 0 393.531 3.693 20 30 GHEDRO CCOc1ccc(SCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931129 836255130 /nfs/dbraw/zinc/25/51/30/836255130.db2.gz HERWFFYYODSURY-UHFFFAOYSA-N 1 0 397.544 3.639 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065936757 836257107 /nfs/dbraw/zinc/25/71/07/836257107.db2.gz QMODFFLODUOXIM-INIZCTEOSA-N 1 0 385.895 3.569 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1-n1cc(C[NH2+]C)c2cc(C)ccc21 ZINC001167121299 836401769 /nfs/dbraw/zinc/40/17/69/836401769.db2.gz IYBSTSKJUFNDMS-UHFFFAOYSA-N 1 0 382.851 3.755 20 30 GHEDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000118809072 836533352 /nfs/dbraw/zinc/53/33/52/836533352.db2.gz HURNRAOGSVWUGB-UHFFFAOYSA-N 1 0 392.503 3.891 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175508075 836580843 /nfs/dbraw/zinc/58/08/43/836580843.db2.gz XHZFTTJOYMSILX-AZUAARDMSA-N 1 0 382.533 3.844 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c1C#N ZINC000133804027 836599521 /nfs/dbraw/zinc/59/95/21/836599521.db2.gz OKJKMRKIODUGIJ-GFCCVEGCSA-N 1 0 393.413 3.584 20 30 GHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000548487928 844189114 /nfs/dbraw/zinc/18/91/14/844189114.db2.gz UYPBYPMGQPZTJI-QUCCMNQESA-N 1 0 388.556 3.900 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001167161954 836737565 /nfs/dbraw/zinc/73/75/65/836737565.db2.gz DJOLTYRRUUFARC-UHFFFAOYSA-N 1 0 375.592 3.952 20 30 GHEDRO Cn1cc(CNc2ccc(OCC[NH+](C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180227202 836761215 /nfs/dbraw/zinc/76/12/15/836761215.db2.gz UQVCKLIUUWEMGZ-UHFFFAOYSA-N 1 0 375.476 3.511 20 30 GHEDRO N#Cc1cccc([C@H](c2nc(-c3ccc4ccccc4c3)no2)N2CC[NH2+]CC2)c1 ZINC001211640321 836783710 /nfs/dbraw/zinc/78/37/10/836783710.db2.gz HBVXIGZMGZVHNT-JOCHJYFZSA-N 1 0 395.466 3.756 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000247104015 836823081 /nfs/dbraw/zinc/82/30/81/836823081.db2.gz KSPPMVYAJYTXHF-NZQKXSOJSA-N 1 0 389.499 3.694 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001167208682 836909425 /nfs/dbraw/zinc/90/94/25/836909425.db2.gz GPRATMXNRVIYIE-QRQCRPRQSA-N 1 0 392.865 3.876 20 30 GHEDRO Cc1ccc(-c2noc([C@@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)c(Cl)c1 ZINC001211640695 837014383 /nfs/dbraw/zinc/01/43/83/837014383.db2.gz NIAYXOUXGVPJPY-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO C=CC[N@@H+](CCOc1ccc(/C=C/C(=O)OC)cc1)Cc1cccc(C#N)c1 ZINC001167252274 837045092 /nfs/dbraw/zinc/04/50/92/837045092.db2.gz YYQWEDIUFMJKKH-FMIVXFBMSA-N 1 0 376.456 3.811 20 30 GHEDRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000510253390 837052632 /nfs/dbraw/zinc/05/26/32/837052632.db2.gz HHXWUSCXANBOTD-DYESRHJHSA-N 1 0 377.488 3.656 20 30 GHEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000175912026 837053147 /nfs/dbraw/zinc/05/31/47/837053147.db2.gz SQAMQURUTLGWCF-AWEZNQCLSA-N 1 0 375.925 3.967 20 30 GHEDRO C[C@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000027487557 837054369 /nfs/dbraw/zinc/05/43/69/837054369.db2.gz ASPGFMNFEZVEAZ-QFBILLFUSA-O 1 0 383.537 3.574 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)ccc1OCC(C)C ZINC000180093867 837315399 /nfs/dbraw/zinc/31/53/99/837315399.db2.gz MSUZNLTWJSJCMM-INIZCTEOSA-N 1 0 381.476 3.891 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NCC1([NH+]2CCSCC2)CCCC1 ZINC000610273248 837330834 /nfs/dbraw/zinc/33/08/34/837330834.db2.gz HAKGEXWNMKLKLB-UHFFFAOYSA-N 1 0 388.487 3.580 20 30 GHEDRO O=C(NCCc1cn2c(n1)CCCC2)Nc1ccccc1C#Cc1ccccc1 ZINC000472845059 837837241 /nfs/dbraw/zinc/83/72/41/837837241.db2.gz GQBODYZLOLOMHD-UHFFFAOYSA-N 1 0 384.483 3.983 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549328059 837925117 /nfs/dbraw/zinc/92/51/17/837925117.db2.gz UAEBKHBNHMCACP-UHFFFAOYSA-N 1 0 389.931 3.617 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)cc1 ZINC000377762688 837938790 /nfs/dbraw/zinc/93/87/90/837938790.db2.gz DLCLIJDVUOYFFQ-FGZHOGPDSA-N 1 0 399.498 3.562 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000728715200 838015990 /nfs/dbraw/zinc/01/59/90/838015990.db2.gz PETYDYNZNMEUDV-ROUUACIJSA-N 1 0 392.503 3.694 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)c1 ZINC000189118712 838198804 /nfs/dbraw/zinc/19/88/04/838198804.db2.gz XYHWVBOEZLUFJY-UHFFFAOYSA-N 1 0 378.341 3.616 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(-c2ccnn2C)c1 ZINC000549801634 844301807 /nfs/dbraw/zinc/30/18/07/844301807.db2.gz JHBIKQYMHPPWHL-UHFFFAOYSA-N 1 0 385.515 3.980 20 30 GHEDRO C=CCOc1ccccc1C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378002054 838265092 /nfs/dbraw/zinc/26/50/92/838265092.db2.gz LGDGZVOVXWILHA-UHFFFAOYSA-N 1 0 399.579 3.520 20 30 GHEDRO Cc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000728267990 838318749 /nfs/dbraw/zinc/31/87/49/838318749.db2.gz TZYWJRHVVNKFQT-UHFFFAOYSA-N 1 0 386.499 3.957 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000610323065 838444979 /nfs/dbraw/zinc/44/49/79/838444979.db2.gz RQSAUTUWCMUDSP-BEFAXECRSA-N 1 0 384.505 3.833 20 30 GHEDRO C=CCOc1ccc(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000066727001 838552213 /nfs/dbraw/zinc/55/22/13/838552213.db2.gz AHKIBDXPZUQUQP-UHFFFAOYSA-N 1 0 382.504 3.984 20 30 GHEDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000610344770 838574122 /nfs/dbraw/zinc/57/41/22/838574122.db2.gz HSQFAJZZPZRAHX-IAGOWNOFSA-N 1 0 395.503 3.663 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610355620 838652244 /nfs/dbraw/zinc/65/22/44/838652244.db2.gz AQFIDZBGTOSDLG-OALUTQOASA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000549119614 838677475 /nfs/dbraw/zinc/67/74/75/838677475.db2.gz JDZCXMPWBVHAQB-JOQQVMPUSA-N 1 0 399.560 3.763 20 30 GHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000376794731 838740856 /nfs/dbraw/zinc/74/08/56/838740856.db2.gz QZJXREXFMBEENE-RAFMOHDBSA-N 1 0 385.508 3.502 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC=C(c3c(F)cccc3F)CC2)CC1 ZINC000472954200 838745836 /nfs/dbraw/zinc/74/58/36/838745836.db2.gz AAZNYGKJDYFQIU-UHFFFAOYSA-N 1 0 375.463 3.804 20 30 GHEDRO N#Cc1cnc(N=C2CCC([NH+]3CCCC3)CC2)c(I)c1 ZINC001210706237 838756870 /nfs/dbraw/zinc/75/68/70/838756870.db2.gz VENWTFLCMOPGQS-AWEZNQCLSA-N 1 0 394.260 3.502 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)Nc2ccc(OC)nc2)[n+]2ccccc2)cc1 ZINC000171063927 838776120 /nfs/dbraw/zinc/77/61/20/838776120.db2.gz ZRLNWPOAOUORDJ-UHFFFAOYSA-O 1 0 392.504 3.991 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000560966726 838880941 /nfs/dbraw/zinc/88/09/41/838880941.db2.gz PAPIBIPMTFJLLQ-LJQANCHMSA-N 1 0 380.448 3.621 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)NCc1ccccc1 ZINC000067248076 844400052 /nfs/dbraw/zinc/40/00/52/844400052.db2.gz NQAYOZUUNLQWNT-LJQANCHMSA-N 1 0 399.494 3.932 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)Nc1cc(C)ccc1F ZINC000172580349 839110145 /nfs/dbraw/zinc/11/01/45/839110145.db2.gz OIDLYCVFWZXART-UHFFFAOYSA-O 1 0 397.499 3.768 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000415080060 839174832 /nfs/dbraw/zinc/17/48/32/839174832.db2.gz IQZHZEYDNYLRLK-ZBFHGGJFSA-N 1 0 380.448 3.560 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000415083330 839178766 /nfs/dbraw/zinc/17/87/66/839178766.db2.gz NBMSIPJFDLEKPJ-QAPCUYQASA-N 1 0 394.475 3.950 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000378481882 839194581 /nfs/dbraw/zinc/19/45/81/839194581.db2.gz KXAHVVNHDRVLDQ-DHLKQENFSA-N 1 0 385.511 3.565 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378483104 839194935 /nfs/dbraw/zinc/19/49/35/839194935.db2.gz OIWIMBNZOZXGJM-UXHICEINSA-N 1 0 395.453 3.743 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000580299887 839208623 /nfs/dbraw/zinc/20/86/23/839208623.db2.gz CXMOXPACWNNHRP-UHFFFAOYSA-N 1 0 387.867 3.537 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415111641 839222568 /nfs/dbraw/zinc/22/25/68/839222568.db2.gz AFASTAWEKHEPMZ-UHFFFAOYSA-N 1 0 380.492 3.894 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC#Cc1cccc(F)c1 ZINC000549209751 839310241 /nfs/dbraw/zinc/31/02/41/839310241.db2.gz YUVZYEOUXFXPJL-UHFFFAOYSA-N 1 0 387.524 3.792 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549216663 839347808 /nfs/dbraw/zinc/34/78/08/839347808.db2.gz POORYGWBVGFTOY-KRWDZBQOSA-N 1 0 387.503 3.664 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548097116 839572570 /nfs/dbraw/zinc/57/25/70/839572570.db2.gz JKINPKDXUCVSNU-FQEVSTJZSA-N 1 0 375.538 3.718 20 30 GHEDRO N#Cc1cc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000561119931 839574443 /nfs/dbraw/zinc/57/44/43/839574443.db2.gz DAACDHNDGIMVGG-GOSISDBHSA-N 1 0 385.855 3.951 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000549253184 839583069 /nfs/dbraw/zinc/58/30/69/839583069.db2.gz PRBWYGLZZIWGSM-PZJWPPBQSA-N 1 0 395.551 3.582 20 30 GHEDRO CN(C)c1ccc(C(N)=[NH+]OCc2cncc(OCc3ccccc3)c2)cc1 ZINC000783026031 839628073 /nfs/dbraw/zinc/62/80/73/839628073.db2.gz FAVCQODHKSEVQS-UHFFFAOYSA-N 1 0 376.460 3.564 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000580486040 839658369 /nfs/dbraw/zinc/65/83/69/839658369.db2.gz MOCOFZMKMWNDTR-UYAOXDASSA-N 1 0 395.572 3.788 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000579675156 839676223 /nfs/dbraw/zinc/67/62/23/839676223.db2.gz PWHBPZQCLLYNQE-HQJJXPTPSA-N 1 0 375.900 3.554 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000579675158 839677310 /nfs/dbraw/zinc/67/73/10/839677310.db2.gz PWHBPZQCLLYNQE-ZQNRLITLSA-N 1 0 375.900 3.554 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549849913 844471855 /nfs/dbraw/zinc/47/18/55/844471855.db2.gz DWAYTDOCPWTNFT-FQEVSTJZSA-N 1 0 392.551 3.785 20 30 GHEDRO CCCc1c(NC(=O)N2CCC(C[NH2+]CC)CC2)cnn1-c1cccc(C#N)c1 ZINC000415563867 839970120 /nfs/dbraw/zinc/97/01/20/839970120.db2.gz HNYIXVCFYONMMK-UHFFFAOYSA-N 1 0 394.523 3.550 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000580704096 840033580 /nfs/dbraw/zinc/03/35/80/840033580.db2.gz HAVKVHLZKNAKFB-AABGKKOBSA-N 1 0 393.478 3.510 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000177808172 840051526 /nfs/dbraw/zinc/05/15/26/840051526.db2.gz GIGUVZBKKKRRCO-YADHBBJMSA-N 1 0 389.499 3.836 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C/C=C/c3cccc(F)c3)CC2)cc1 ZINC000175828902 840092824 /nfs/dbraw/zinc/09/28/24/840092824.db2.gz KMYCUZHNQJCLQQ-GORDUTHDSA-N 1 0 377.463 3.835 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000068871127 840170980 /nfs/dbraw/zinc/17/09/80/840170980.db2.gz KLKWBYXXKPWSTJ-HXUWFJFHSA-N 1 0 378.476 3.686 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247308614 840176740 /nfs/dbraw/zinc/17/67/40/840176740.db2.gz IDYYHBLRUNBLIK-QPXQOZNCSA-N 1 0 391.515 3.598 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000580887955 840380809 /nfs/dbraw/zinc/38/08/09/840380809.db2.gz BPCTYDCXTUACTQ-ZLNRFVROSA-N 1 0 381.516 3.724 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000328756667 840408629 /nfs/dbraw/zinc/40/86/29/840408629.db2.gz UHVYORABNACXNF-WOZUAGRISA-N 1 0 385.552 3.748 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418538724 840424217 /nfs/dbraw/zinc/42/42/17/840424217.db2.gz FEURQMPNBXSCHL-PMACEKPBSA-N 1 0 385.533 3.600 20 30 GHEDRO COc1cc(C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)ccc1C#N ZINC000566803833 840483494 /nfs/dbraw/zinc/48/34/94/840483494.db2.gz WHHCUMZNQXSDSH-UHFFFAOYSA-N 1 0 392.402 3.518 20 30 GHEDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000276006480 840501503 /nfs/dbraw/zinc/50/15/03/840501503.db2.gz IRRURULRTSTXKK-SJORKVTESA-N 1 0 384.549 3.991 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)ccc1Cl ZINC000511738797 840579558 /nfs/dbraw/zinc/57/95/58/840579558.db2.gz QSOAQPWAJMHVTR-SFHVURJKSA-N 1 0 382.895 3.733 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581044563 840630459 /nfs/dbraw/zinc/63/04/59/840630459.db2.gz NSOLFSVUCWLUIO-ROUUACIJSA-N 1 0 386.421 3.930 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3C)nc2)cc1OCCCC#N ZINC000064614199 840670744 /nfs/dbraw/zinc/67/07/44/840670744.db2.gz HZAGYFZJMPYMEQ-UHFFFAOYSA-N 1 0 391.475 3.557 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1S(C)(=O)=O ZINC000417360026 840767603 /nfs/dbraw/zinc/76/76/03/840767603.db2.gz HFBCZDJQBFCDCY-LIRRHRJNSA-N 1 0 384.501 3.699 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@@H+]1Cc1ccccc1 ZINC000581225321 840884731 /nfs/dbraw/zinc/88/47/31/840884731.db2.gz HQVXOSMVLIBGDJ-OXJNMPFZSA-N 1 0 386.455 3.606 20 30 GHEDRO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261700827 844591526 /nfs/dbraw/zinc/59/15/26/844591526.db2.gz JEHIHENICYSPHL-HNNXBMFYSA-N 1 0 389.931 3.569 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000512566123 844592984 /nfs/dbraw/zinc/59/29/84/844592984.db2.gz VCRCPOOMKZMPPH-ZWKOTPCHSA-N 1 0 383.511 3.842 20 30 GHEDRO COc1cccc(SC)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000417672279 841120481 /nfs/dbraw/zinc/12/04/81/841120481.db2.gz SFUAYZRWZYLCCE-UHFFFAOYSA-N 1 0 398.532 3.884 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000120636694 844625349 /nfs/dbraw/zinc/62/53/49/844625349.db2.gz XBPUOJLSTUUXND-UHFFFAOYSA-N 1 0 394.475 3.661 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc2c(c1)CCCC2 ZINC000027311521 841370917 /nfs/dbraw/zinc/37/09/17/841370917.db2.gz LITMFMUOQLFMFM-UHFFFAOYSA-O 1 0 395.548 3.966 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C)cc1 ZINC000027311944 841371607 /nfs/dbraw/zinc/37/16/07/841371607.db2.gz VBVBMNZGSJJEQD-UHFFFAOYSA-O 1 0 384.481 3.604 20 30 GHEDRO C[C@H](C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000500072687 841372437 /nfs/dbraw/zinc/37/24/37/841372437.db2.gz HRDXZMVXMHLWDD-CABCVRRESA-N 1 0 389.425 3.681 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C(F)(F)F)c(C#N)c3)cn2)CC1 ZINC000165749470 841402633 /nfs/dbraw/zinc/40/26/33/841402633.db2.gz NTNQZELYQUTSOA-UHFFFAOYSA-N 1 0 389.425 3.726 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000661115447 841410935 /nfs/dbraw/zinc/41/09/35/841410935.db2.gz CKMMWHRPBJTLJG-DZGCQCFKSA-N 1 0 376.302 3.649 20 30 GHEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599429650 861201468 /nfs/dbraw/zinc/20/14/68/861201468.db2.gz ZCDHKKNDLGXJJE-VQTJNVASSA-N 1 0 378.944 3.958 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccccc3)C3(CO)CCCC3)o2)cc1 ZINC000599433148 861204362 /nfs/dbraw/zinc/20/43/62/861204362.db2.gz BYERVXXCGAXTJH-UHFFFAOYSA-N 1 0 388.471 3.916 20 30 GHEDRO CCO[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C[C@H]1C[NH3+] ZINC000593760787 861207597 /nfs/dbraw/zinc/20/75/97/861207597.db2.gz KSBPHFUIQUZGIL-VQIMIIECSA-N 1 0 396.516 3.537 20 30 GHEDRO CC(C)(C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1(O)CCOCC1 ZINC000418139772 841558975 /nfs/dbraw/zinc/55/89/75/841558975.db2.gz WBZJPKPHJHLLLS-UHFFFAOYSA-N 1 0 394.515 3.795 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000500224921 841676172 /nfs/dbraw/zinc/67/61/72/841676172.db2.gz YELUYAOCKALEAG-QHCPKHFHSA-N 1 0 390.458 3.970 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000581568115 841680090 /nfs/dbraw/zinc/68/00/90/841680090.db2.gz XWLHSGJVOBVHGF-LPHOPBHVSA-N 1 0 378.476 3.741 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CCC[NH2+]1 ZINC000662812095 841689488 /nfs/dbraw/zinc/68/94/88/841689488.db2.gz QHHGWJLWDKFKDN-DEYYWGMASA-N 1 0 381.289 3.649 20 30 GHEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000175912063 841770980 /nfs/dbraw/zinc/77/09/80/841770980.db2.gz SQAMQURUTLGWCF-CQSZACIVSA-N 1 0 375.925 3.967 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cn2)cc1 ZINC000603828925 861242772 /nfs/dbraw/zinc/24/27/72/861242772.db2.gz DZXCFJNQZVJFOU-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[NH+]1CCCCC1 ZINC000329281127 861243353 /nfs/dbraw/zinc/24/33/53/861243353.db2.gz MKIBQOFSLRPPQT-UHFFFAOYSA-N 1 0 391.491 3.540 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)c2ccccc2Cl)c(-c2ccccc2)n1 ZINC000123809125 841858328 /nfs/dbraw/zinc/85/83/28/841858328.db2.gz BQHXRBJNFFKLMW-HXUWFJFHSA-N 1 0 380.879 3.940 20 30 GHEDRO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CCC(c2c[nH]cn2)CC1 ZINC000329293529 861256385 /nfs/dbraw/zinc/25/63/85/861256385.db2.gz ROYHOPDZGHLLHZ-AWEZNQCLSA-N 1 0 391.878 3.575 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 ZINC000181956910 841984313 /nfs/dbraw/zinc/98/43/13/841984313.db2.gz WBLARDIJUNSELJ-QNOZYLDQSA-N 1 0 387.524 3.674 20 30 GHEDRO C=C(Br)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513467 841989740 /nfs/dbraw/zinc/98/97/40/841989740.db2.gz ATDWOUVANKGOFU-UHFFFAOYSA-N 1 0 375.104 3.953 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176017689 841996519 /nfs/dbraw/zinc/99/65/19/841996519.db2.gz JPTCBCCVFUJQCP-UHFFFAOYSA-N 1 0 395.478 3.966 20 30 GHEDRO C[C@]1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCc2ccccc21 ZINC000329299337 861259676 /nfs/dbraw/zinc/25/96/76/861259676.db2.gz UZYMYNYCMOCKNK-GIWBLDEGSA-N 1 0 385.552 3.510 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000185742048 861263068 /nfs/dbraw/zinc/26/30/68/861263068.db2.gz XXMHRSQUBSEZJD-UHFFFAOYSA-N 1 0 397.972 3.734 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)CNc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000609480957 842102768 /nfs/dbraw/zinc/10/27/68/842102768.db2.gz CQGSEIOVQSKACV-SFHVURJKSA-N 1 0 376.504 3.750 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3nc4c(cc3C#N)CCC4)cc2)C[C@H](C)O1 ZINC000603852244 861274241 /nfs/dbraw/zinc/27/42/41/861274241.db2.gz VJNQCRVOQFRUEP-IRXDYDNUSA-N 1 0 376.504 3.663 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000066905354 842145482 /nfs/dbraw/zinc/14/54/82/842145482.db2.gz NUFRLEADMWBEQC-UHFFFAOYSA-N 1 0 378.472 3.913 20 30 GHEDRO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)C(C)(C)C ZINC000661755597 842146359 /nfs/dbraw/zinc/14/63/59/842146359.db2.gz VMWZSHOTJLAZGY-OAHLLOKOSA-N 1 0 383.414 3.579 20 30 GHEDRO C=CCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000458812093 842147545 /nfs/dbraw/zinc/14/75/45/842147545.db2.gz QLOHDZJYAXRTOG-PMACEKPBSA-N 1 0 378.605 3.567 20 30 GHEDRO O=C(NC1CCC(C(=O)N2CC[NH+](C3CCCC3)CC2)CC1)C1CCCC1 ZINC000328815110 842156696 /nfs/dbraw/zinc/15/66/96/842156696.db2.gz PLMYVDYYDTTZPJ-UHFFFAOYSA-N 1 0 375.557 3.779 20 30 GHEDRO O=C(N1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1)C(F)(F)C(F)F ZINC001273093440 861281357 /nfs/dbraw/zinc/28/13/57/861281357.db2.gz GUAQBLNQDQNTPA-CYBMUJFWSA-N 1 0 378.332 3.544 20 30 GHEDRO C=CC[NH+]1CCC(NCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000236748086 842188017 /nfs/dbraw/zinc/18/80/17/842188017.db2.gz WJNIZFZIERCVLG-UHFFFAOYSA-N 1 0 375.314 3.579 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@H]3CCCc4c5cc(Cl)ccc5[nH]c43)cnc12 ZINC000600209136 861283031 /nfs/dbraw/zinc/28/30/31/861283031.db2.gz XRYDPHGUQQUWJO-SFHVURJKSA-N 1 0 376.851 3.903 20 30 GHEDRO COc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000098028917 842208989 /nfs/dbraw/zinc/20/89/89/842208989.db2.gz VKVUIFYWZMEWLH-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121464290 842223195 /nfs/dbraw/zinc/22/31/95/842223195.db2.gz LXZLOOYYEYSZAU-GFCCVEGCSA-N 1 0 384.871 3.798 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000329325006 861286981 /nfs/dbraw/zinc/28/69/81/861286981.db2.gz VVZUOFZGIUEUHZ-FQEVSTJZSA-N 1 0 386.540 3.759 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+](C2CCC2)C1 ZINC000570116574 842258655 /nfs/dbraw/zinc/25/86/55/842258655.db2.gz DTIXSVOERVASJC-ZDUSSCGKSA-N 1 0 380.414 3.915 20 30 GHEDRO Cn1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600214403 861291252 /nfs/dbraw/zinc/29/12/52/861291252.db2.gz PYRKIFUFQHETEY-UHFFFAOYSA-N 1 0 387.443 3.620 20 30 GHEDRO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)c1 ZINC000603868028 861298711 /nfs/dbraw/zinc/29/87/11/861298711.db2.gz JDRIKWLZDHTNIO-OAQYLSRUSA-N 1 0 377.488 3.649 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000471769994 842424423 /nfs/dbraw/zinc/42/44/23/842424423.db2.gz IXFPSHJXLDWUFJ-UHFFFAOYSA-N 1 0 381.520 3.915 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1cccc(C#N)c1C ZINC000432273406 842471895 /nfs/dbraw/zinc/47/18/95/842471895.db2.gz ZMZJXFZFFOIDPG-UHFFFAOYSA-N 1 0 380.492 3.909 20 30 GHEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000328843769 842539676 /nfs/dbraw/zinc/53/96/76/842539676.db2.gz PPUSFHUPBXEYAE-QHAWAJNXSA-N 1 0 383.536 3.646 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000598699521 842540485 /nfs/dbraw/zinc/54/04/85/842540485.db2.gz FPOIIRMVXDDGTB-SFHVURJKSA-N 1 0 383.458 3.560 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[C@@H]2C1 ZINC000567712444 842587688 /nfs/dbraw/zinc/58/76/88/842587688.db2.gz PCBQWHGFGIJOII-OXJNMPFZSA-N 1 0 379.435 3.656 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 ZINC000603888373 861332975 /nfs/dbraw/zinc/33/29/75/861332975.db2.gz WDWLHLFOGYRYIJ-UHFFFAOYSA-N 1 0 390.462 3.546 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000512158084 842673279 /nfs/dbraw/zinc/67/32/79/842673279.db2.gz JBVOMZGOAHXFIZ-FXAWDEMLSA-N 1 0 385.508 3.621 20 30 GHEDRO Cc1nc(C(C)(C)C)sc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000328926386 842887238 /nfs/dbraw/zinc/88/72/38/842887238.db2.gz FFPWGTDZZXSZRG-HZPDHXFCSA-N 1 0 379.570 3.822 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279358116 843019733 /nfs/dbraw/zinc/01/97/33/843019733.db2.gz HCMASSSPZYFZRD-GOSISDBHSA-N 1 0 389.503 3.930 20 30 GHEDRO Cc1ccccc1OCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279353284 843021671 /nfs/dbraw/zinc/02/16/71/843021671.db2.gz GLSKBDVLEUKLKU-UHFFFAOYSA-N 1 0 375.476 3.678 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328950701 843086923 /nfs/dbraw/zinc/08/69/23/843086923.db2.gz WYTDUMDROYWRKZ-AWEZNQCLSA-N 1 0 390.434 3.942 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000512224224 843150997 /nfs/dbraw/zinc/15/09/97/843150997.db2.gz AGCYERGQNCSGBX-VQIMIIECSA-N 1 0 388.533 3.964 20 30 GHEDRO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610585915 843201119 /nfs/dbraw/zinc/20/11/19/843201119.db2.gz ZKEDUSNVXWBSNF-VWNXMTODSA-N 1 0 378.516 3.837 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)CCC[NH2+]1 ZINC000662477385 843309987 /nfs/dbraw/zinc/30/99/87/843309987.db2.gz ZTFWWBILDTVFFK-BTYIYWSLSA-N 1 0 389.927 3.991 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610644381 843346390 /nfs/dbraw/zinc/34/63/90/843346390.db2.gz WPPOKVFYXZSHJA-OAHLLOKOSA-N 1 0 384.446 3.925 20 30 GHEDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066955615 843357474 /nfs/dbraw/zinc/35/74/74/843357474.db2.gz GCQBGTJQEKKKQZ-KRWDZBQOSA-N 1 0 392.569 3.903 20 30 GHEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662513532 843378199 /nfs/dbraw/zinc/37/81/99/843378199.db2.gz AFTVZKOGDRPFRB-VHSXEESVSA-N 1 0 386.311 3.798 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662513921 843379149 /nfs/dbraw/zinc/37/91/49/843379149.db2.gz CFRSMBUWLXQFJN-AWEZNQCLSA-N 1 0 398.322 3.802 20 30 GHEDRO COC(=O)[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000512331441 843421399 /nfs/dbraw/zinc/42/13/99/843421399.db2.gz OKPCGVZZVBYRLY-AVCGJXAMSA-N 1 0 391.515 3.663 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H](C#N)C3)C2=O)ccc1Br ZINC000618578605 843534817 /nfs/dbraw/zinc/53/48/17/843534817.db2.gz LUAZXXZXSXDFCS-MPGHIAIKSA-N 1 0 390.325 3.925 20 30 GHEDRO Cn1ccnc1Sc1ncc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000329448442 861442319 /nfs/dbraw/zinc/44/23/19/861442319.db2.gz LEQKSVRDFAUAQV-CABCVRRESA-N 1 0 391.928 3.551 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001211725455 843856319 /nfs/dbraw/zinc/85/63/19/843856319.db2.gz RFEVJMFSYZEPHJ-SZPZYZBQSA-N 1 0 396.556 3.558 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC2(CCCCC2)CC1 ZINC000669335249 843860238 /nfs/dbraw/zinc/86/02/38/843860238.db2.gz QZFJJWMLCNAETC-UXHICEINSA-N 1 0 399.583 3.941 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC3(CC3)CC2)c1C#N ZINC000599672068 861466449 /nfs/dbraw/zinc/46/64/49/861466449.db2.gz ADTFWTCLLYGUOZ-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C#N)CCc3ccccc3)cc2)CC1 ZINC000433223128 843882722 /nfs/dbraw/zinc/88/27/22/843882722.db2.gz MMSODEOQUOGSCX-QFIPXVFZSA-N 1 0 390.531 3.535 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000731111135 861473301 /nfs/dbraw/zinc/47/33/01/861473301.db2.gz KCMUIQOXPXPQSR-FQEVSTJZSA-N 1 0 377.488 3.732 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cc1c(F)cccc1C#N ZINC000509535916 843975518 /nfs/dbraw/zinc/97/55/18/843975518.db2.gz AAOMJRHLDDRRPE-UHFFFAOYSA-N 1 0 383.492 3.736 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(CC)CC ZINC000433315246 844001736 /nfs/dbraw/zinc/00/17/36/844001736.db2.gz BADQJCRHHCAMRK-VQTJNVASSA-N 1 0 381.524 3.932 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCCOC2)O1 ZINC000573749011 844673840 /nfs/dbraw/zinc/67/38/40/844673840.db2.gz ZOCHOFQLHSSDIG-NTKDMRAZSA-N 1 0 392.499 3.907 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](CO)Cc3ccco3)c2)c1 ZINC000610871182 844729228 /nfs/dbraw/zinc/72/92/28/844729228.db2.gz VJOBMQCIKDKWLS-OAQYLSRUSA-N 1 0 376.456 3.671 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(C#N)cc3F)C2)cc(OC)c1 ZINC000512617728 844775862 /nfs/dbraw/zinc/77/58/62/844775862.db2.gz GNUWSSXCSRKPST-QAPCUYQASA-N 1 0 383.467 3.640 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508808462 844793607 /nfs/dbraw/zinc/79/36/07/844793607.db2.gz HEFJUTGVCKKOLZ-UHFFFAOYSA-N 1 0 376.508 3.677 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000610967874 844924266 /nfs/dbraw/zinc/92/42/66/844924266.db2.gz TZDWPMVENZOCRW-SFTDATJTSA-N 1 0 389.499 3.853 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000611004359 845124760 /nfs/dbraw/zinc/12/47/60/845124760.db2.gz XEXVZROFRDEXEJ-UHFFFAOYSA-N 1 0 393.491 3.987 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000673734840 861535863 /nfs/dbraw/zinc/53/58/63/861535863.db2.gz KZFKJVSJWGTMKN-UHFFFAOYSA-N 1 0 396.535 3.679 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000329496276 861540696 /nfs/dbraw/zinc/54/06/96/861540696.db2.gz DTMOFAYRCHSICN-WHCFWRGISA-N 1 0 385.552 3.579 20 30 GHEDRO CCc1ccc([C@@H]2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)cc1 ZINC000433073389 845169802 /nfs/dbraw/zinc/16/98/02/845169802.db2.gz GBOGYUHHXIOTTD-HXUWFJFHSA-N 1 0 399.498 3.734 20 30 GHEDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CCc2ccccc2C1 ZINC000236988325 845447742 /nfs/dbraw/zinc/44/77/42/845447742.db2.gz QDXOWQIXWLLGRA-QHCPKHFHSA-N 1 0 376.548 3.963 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2c2ccnn2C)C1 ZINC000329515320 861571503 /nfs/dbraw/zinc/57/15/03/861571503.db2.gz YMZSBBOKGVRFHN-LMNJBCLMSA-N 1 0 381.524 3.697 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000104155009 845809001 /nfs/dbraw/zinc/80/90/01/845809001.db2.gz GEQUXYSPLBRNCV-SFHVURJKSA-N 1 0 386.496 3.641 20 30 GHEDRO COc1ccc(-n2ccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000513671600 846218162 /nfs/dbraw/zinc/21/81/62/846218162.db2.gz DELWGVOCQKEOOI-UHFFFAOYSA-N 1 0 387.487 3.511 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178541677 846398291 /nfs/dbraw/zinc/39/82/91/846398291.db2.gz OXAWWBQVZBYCEW-IAGOWNOFSA-N 1 0 384.524 3.610 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1OC ZINC000414541089 846446778 /nfs/dbraw/zinc/44/67/78/846446778.db2.gz PQZPNOVAXLKRFU-HSZRJFAPSA-N 1 0 397.515 3.880 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000551777500 846517412 /nfs/dbraw/zinc/51/74/12/846517412.db2.gz LOFFUWVQBCMGFQ-LSUGYDDCSA-N 1 0 389.499 3.844 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183200691 846532291 /nfs/dbraw/zinc/53/22/91/846532291.db2.gz YHPAZQKLYISGBZ-UHFFFAOYSA-N 1 0 378.398 3.880 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000502843515 846535845 /nfs/dbraw/zinc/53/58/45/846535845.db2.gz NIAXVYKKXWBNIM-IBGZPJMESA-N 1 0 393.487 3.821 20 30 GHEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000502856388 846552420 /nfs/dbraw/zinc/55/24/20/846552420.db2.gz NQJXCJYLLRRLES-HLIPFELVSA-N 1 0 398.551 3.524 20 30 GHEDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000892214862 846569002 /nfs/dbraw/zinc/56/90/02/846569002.db2.gz MURZAXNOODCICB-UHFFFAOYSA-N 1 0 379.526 3.516 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419503703 846596783 /nfs/dbraw/zinc/59/67/83/846596783.db2.gz IBTHTUXZAQBPNQ-RYGJVYDSSA-N 1 0 380.492 3.957 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000263668097 846598818 /nfs/dbraw/zinc/59/88/18/846598818.db2.gz LNPDAVHZDGZPFH-UHFFFAOYSA-N 1 0 381.476 3.675 20 30 GHEDRO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502968717 846672184 /nfs/dbraw/zinc/67/21/84/846672184.db2.gz BVYLKYSXSCRRSN-IBGZPJMESA-N 1 0 398.551 3.801 20 30 GHEDRO Cc1ncc(CO)c(/C=N\C[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1O ZINC000731563404 861714108 /nfs/dbraw/zinc/71/41/08/861714108.db2.gz PNCILNVTNXSIEE-PAEMTNLTSA-N 1 0 387.911 3.715 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1OC ZINC000414565063 846757788 /nfs/dbraw/zinc/75/77/88/846757788.db2.gz DRNBHMPYURNKFP-ZFWWWQNUSA-N 1 0 384.314 3.663 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[NH+](C)C)cc1 ZINC000582323200 846863826 /nfs/dbraw/zinc/86/38/26/846863826.db2.gz QXLIYFUZJZDCOT-PZJWPPBQSA-N 1 0 381.545 3.900 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000422170162 846870062 /nfs/dbraw/zinc/87/00/62/846870062.db2.gz AWMQELCLBASNLI-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO N#CC1(c2ccc(C(=O)N3CCC([N@@H+]4CCc5ccccc5C4)CC3)cc2)CC1 ZINC000271938238 846953775 /nfs/dbraw/zinc/95/37/75/846953775.db2.gz QQWQFFUEUXCHSS-UHFFFAOYSA-N 1 0 385.511 3.905 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000501475712 846954599 /nfs/dbraw/zinc/95/45/99/846954599.db2.gz GXUUKARWYCZIGS-KBPBESRZSA-N 1 0 398.429 3.884 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccnn2CCC)CC1 ZINC000501535636 847000321 /nfs/dbraw/zinc/00/03/21/847000321.db2.gz OCKYFVXFPSATIY-NRFANRHFSA-N 1 0 383.536 3.641 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)CCc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000183279856 847028268 /nfs/dbraw/zinc/02/82/68/847028268.db2.gz XMEFSSLZACJRQM-ISKFKSNPSA-N 1 0 389.499 3.594 20 30 GHEDRO C[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272389512 847066487 /nfs/dbraw/zinc/06/64/87/847066487.db2.gz WMMIUTDYDRMXBT-KVWHRHGTSA-N 1 0 389.499 3.629 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000501694502 847110134 /nfs/dbraw/zinc/11/01/34/847110134.db2.gz GKTXSAAJGLEVCJ-LJQANCHMSA-N 1 0 377.492 3.790 20 30 GHEDRO C[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000329608051 861758332 /nfs/dbraw/zinc/75/83/32/861758332.db2.gz MZJFZCFHXHJLMZ-CVDCTZTESA-N 1 0 383.536 3.902 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000272933614 847211538 /nfs/dbraw/zinc/21/15/38/847211538.db2.gz KHUXNGYFRRLQDF-RAALOAAWSA-N 1 0 397.544 3.718 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C3(c4ccc(C#N)cc4)CC3)C2)s1 ZINC000582425191 847214865 /nfs/dbraw/zinc/21/48/65/847214865.db2.gz OPGDJRDYXCZMFG-IBGZPJMESA-N 1 0 393.556 3.940 20 30 GHEDRO Cc1cc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)[nH]n1 ZINC000273039330 847235356 /nfs/dbraw/zinc/23/53/56/847235356.db2.gz WKNDXFJNIIUCCR-GOSISDBHSA-N 1 0 379.508 3.541 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511135165 847378913 /nfs/dbraw/zinc/37/89/13/847378913.db2.gz FFYJYHNUSVKILN-KRWDZBQOSA-N 1 0 392.425 3.541 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(C#N)c3C)CC2)cc1 ZINC000178584853 847382842 /nfs/dbraw/zinc/38/28/42/847382842.db2.gz RMDAGJWZNUIZMF-UHFFFAOYSA-N 1 0 392.503 3.909 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000277664152 847464721 /nfs/dbraw/zinc/46/47/21/847464721.db2.gz SAIZVQAXYXLNIF-UHFFFAOYSA-N 1 0 381.442 3.817 20 30 GHEDRO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502163666 847543447 /nfs/dbraw/zinc/54/34/47/847543447.db2.gz CZVGPRBUQZTTEQ-SFHVURJKSA-N 1 0 398.551 3.540 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CCC(C[NH+](C)C)CC2)c1Br ZINC000479371497 847609930 /nfs/dbraw/zinc/60/99/30/847609930.db2.gz CBMJRURHTXIPOL-UHFFFAOYSA-N 1 0 387.325 3.955 20 30 GHEDRO N#Cc1cccc(OCCCNc2ccccc2C[NH+]2CCC(CO)CC2)c1 ZINC000127886374 847628954 /nfs/dbraw/zinc/62/89/54/847628954.db2.gz CBLSVCHREXTJST-UHFFFAOYSA-N 1 0 379.504 3.644 20 30 GHEDRO CC(C)c1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)nn1C(C)(C)C ZINC000329080639 847635476 /nfs/dbraw/zinc/63/54/76/847635476.db2.gz CSKLKDLWATUPKM-UHFFFAOYSA-N 1 0 376.545 3.711 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000479516052 847698624 /nfs/dbraw/zinc/69/86/24/847698624.db2.gz UNWCDCKEPGJHDL-SFHVURJKSA-N 1 0 391.515 3.940 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000179885505 861831835 /nfs/dbraw/zinc/83/18/35/861831835.db2.gz ZHRGLGLPTMMOMW-UHFFFAOYSA-N 1 0 388.515 3.632 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000503588731 847816648 /nfs/dbraw/zinc/81/66/48/847816648.db2.gz LPRGXJDMYQGLHL-RBUKOAKNSA-N 1 0 385.479 3.792 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000503588732 847818165 /nfs/dbraw/zinc/81/81/65/847818165.db2.gz LPRGXJDMYQGLHL-RTBURBONSA-N 1 0 385.479 3.792 20 30 GHEDRO COc1ccc([C@@H](NCCSCc2ccccc2C#N)[C@@H]2CCC[NH2+]2)cc1 ZINC000422998957 847931857 /nfs/dbraw/zinc/93/18/57/847931857.db2.gz XDLPMHZELURDTP-FCHUYYIVSA-N 1 0 381.545 3.883 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)cc1F ZINC000421320448 847942767 /nfs/dbraw/zinc/94/27/67/847942767.db2.gz AEZNYUXGSJFNAJ-CQSZACIVSA-N 1 0 382.357 3.537 20 30 GHEDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1)c1ccccc1 ZINC000421326712 847948211 /nfs/dbraw/zinc/94/82/11/847948211.db2.gz ORXDRAULXCTICY-NRFANRHFSA-N 1 0 379.479 3.972 20 30 GHEDRO N#CCCn1ncc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1-c1ccccc1 ZINC000582762011 848312052 /nfs/dbraw/zinc/31/20/52/848312052.db2.gz JLOBRPMUXPASMT-UHFFFAOYSA-N 1 0 391.519 3.601 20 30 GHEDRO Cc1cccc(COc2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)c1 ZINC000582773810 848336222 /nfs/dbraw/zinc/33/62/22/848336222.db2.gz MGENEOFUWPTFIK-UHFFFAOYSA-N 1 0 383.455 3.778 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000120289117 848543716 /nfs/dbraw/zinc/54/37/16/848543716.db2.gz CEGVZMRRDJJFKR-UHFFFAOYSA-N 1 0 383.374 3.546 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000582873126 848609493 /nfs/dbraw/zinc/60/94/93/848609493.db2.gz MSSLJYKJIOZZKI-HKUYNNGSSA-N 1 0 379.570 3.611 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000582908836 848680800 /nfs/dbraw/zinc/68/08/00/848680800.db2.gz JHYVBFGRXQWKHD-KKSFZXQISA-N 1 0 379.479 3.612 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(-c2cccc(Cl)c2)on1 ZINC000329118564 848894771 /nfs/dbraw/zinc/89/47/71/848894771.db2.gz UYOQLLVCCMNZOQ-UHFFFAOYSA-N 1 0 389.883 3.945 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000583071912 849017683 /nfs/dbraw/zinc/01/76/83/849017683.db2.gz CVWYTNDYGDWHKQ-ORYQWCPZSA-N 1 0 376.460 3.942 20 30 GHEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000731928950 861974818 /nfs/dbraw/zinc/97/48/18/861974818.db2.gz ROOZLQVSQZCLBA-UHFFFAOYSA-N 1 0 392.475 3.507 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000572964280 849761640 /nfs/dbraw/zinc/76/16/40/849761640.db2.gz DIACCLHMQXKRBE-GOSISDBHSA-N 1 0 388.431 3.631 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)ccc1OC(C)C ZINC000434881868 849868597 /nfs/dbraw/zinc/86/85/97/849868597.db2.gz YDSLVGLMODDDNY-WMLDXEAASA-N 1 0 399.516 3.872 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000278251938 849887017 /nfs/dbraw/zinc/88/70/17/849887017.db2.gz HINMJSSXHAESFQ-IBGZPJMESA-N 1 0 390.405 3.906 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCSC(C)(C)C3)sc2C1 ZINC000434909836 849892376 /nfs/dbraw/zinc/89/23/76/849892376.db2.gz QVFAJEYLMWOWKR-ZDUSSCGKSA-N 1 0 377.579 3.901 20 30 GHEDRO C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000505585451 849953534 /nfs/dbraw/zinc/95/35/34/849953534.db2.gz NMFTUVPSOGMERX-MRXNPFEDSA-N 1 0 379.479 3.538 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCCSC)[n+]2ccccc2CC)cc1 ZINC000178904096 849971941 /nfs/dbraw/zinc/97/19/41/849971941.db2.gz OAYJDGSSHCWNRC-UHFFFAOYSA-O 1 0 387.594 3.990 20 30 GHEDRO C=C(CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2)c1ccccc1 ZINC000510030928 850159485 /nfs/dbraw/zinc/15/94/85/850159485.db2.gz YSNCTCVGLGLPNS-GOSISDBHSA-N 1 0 391.515 3.815 20 30 GHEDRO CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1Cl)C1CCCCC1 ZINC000424101785 850202304 /nfs/dbraw/zinc/20/23/04/850202304.db2.gz PMQOSYNAWXQNKN-SFHVURJKSA-N 1 0 390.915 3.704 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCc1ccccc1 ZINC000424117933 850231587 /nfs/dbraw/zinc/23/15/87/850231587.db2.gz ZJRXQKYCPKZZCZ-SFHVURJKSA-N 1 0 375.476 3.629 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000424133675 850261079 /nfs/dbraw/zinc/26/10/79/850261079.db2.gz XTVADYJWAHRCBG-ROUUACIJSA-N 1 0 377.822 3.845 20 30 GHEDRO C[C@@H](O)[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1F ZINC000569610516 850264086 /nfs/dbraw/zinc/26/40/86/850264086.db2.gz LHOIVWBCUBUHHQ-IERDGZPVSA-N 1 0 378.451 3.815 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000908695115 850275031 /nfs/dbraw/zinc/27/50/31/850275031.db2.gz LZBZNJWPBYIWKW-PBASOCQRSA-N 1 0 393.535 3.587 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[NH+](C)C ZINC000504984383 850506671 /nfs/dbraw/zinc/50/66/71/850506671.db2.gz CVJQCWKCJKVPBJ-SUMWQHHRSA-N 1 0 390.409 3.702 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC000440001992 850663777 /nfs/dbraw/zinc/66/37/77/850663777.db2.gz ITESQMYIMXVDGW-CRSSMBPESA-N 1 0 391.600 3.595 20 30 GHEDRO C=CCC1(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424791825 850700953 /nfs/dbraw/zinc/70/09/53/850700953.db2.gz QVOYNYDOGMUAQG-VQTJNVASSA-N 1 0 392.490 3.978 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)[C@H](C(F)(F)F)C1 ZINC000519191482 850721432 /nfs/dbraw/zinc/72/14/32/850721432.db2.gz ZDEKOWOIQGJKOH-KFWWJZLASA-N 1 0 387.833 3.930 20 30 GHEDRO CC[NH+](CC)CC1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000515137274 850727843 /nfs/dbraw/zinc/72/78/43/850727843.db2.gz BJBKZSIVRPRAGQ-UHFFFAOYSA-N 1 0 390.959 3.640 20 30 GHEDRO C[C@@](C#N)(NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000555903936 862163339 /nfs/dbraw/zinc/16/33/39/862163339.db2.gz GFQXYFILMJJFPP-QHCPKHFHSA-N 1 0 382.552 3.568 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000435671875 850759260 /nfs/dbraw/zinc/75/92/60/850759260.db2.gz GGMHJWRMTZFXFH-NYVOZVTQSA-N 1 0 380.488 3.946 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000435671835 850759693 /nfs/dbraw/zinc/75/96/93/850759693.db2.gz FZIODMSECFVSIC-QIJUGHKUSA-N 1 0 380.488 3.946 20 30 GHEDRO CC[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262006617 850839896 /nfs/dbraw/zinc/83/98/96/850839896.db2.gz VSKGAYLQPIRVEW-JKSUJKDBSA-N 1 0 388.585 3.686 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CNc3ccc(C#N)cc3)cc2)C1 ZINC000604446382 862184178 /nfs/dbraw/zinc/18/41/78/862184178.db2.gz JKYQIELTORGLEL-OALUTQOASA-N 1 0 390.531 3.764 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)Cc1ccccc1 ZINC000443913441 862185140 /nfs/dbraw/zinc/18/51/40/862185140.db2.gz ALJSAKRFSAZUKC-FQEVSTJZSA-N 1 0 388.515 3.848 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccccc1C ZINC000150118050 850962919 /nfs/dbraw/zinc/96/29/19/850962919.db2.gz ZDKWVQCWCICAKI-UHFFFAOYSA-N 1 0 378.476 3.546 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000519479708 851115270 /nfs/dbraw/zinc/11/52/70/851115270.db2.gz JWGJGFOQAICYCW-UHFFFAOYSA-N 1 0 390.535 3.570 20 30 GHEDRO C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000262016614 851174078 /nfs/dbraw/zinc/17/40/78/851174078.db2.gz XWYJJTIKOBPUDM-QGZVFWFLSA-N 1 0 390.535 3.898 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000514160700 851315119 /nfs/dbraw/zinc/31/51/19/851315119.db2.gz RLNRODGSJAKAFX-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO Fc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1OCC(F)(F)F ZINC000515705461 851358389 /nfs/dbraw/zinc/35/83/89/851358389.db2.gz YEKXJZYBQCHEAL-UHFFFAOYSA-N 1 0 388.327 3.883 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCCc3nc(CC)sc32)CC1 ZINC000119568670 851360301 /nfs/dbraw/zinc/36/03/01/851360301.db2.gz GWNOSSABGSIYFA-KRWDZBQOSA-N 1 0 376.570 3.765 20 30 GHEDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000505779520 851369079 /nfs/dbraw/zinc/36/90/79/851369079.db2.gz XPMBELRPMAYXFX-ROUUACIJSA-N 1 0 393.535 3.540 20 30 GHEDRO CCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000604490066 862249075 /nfs/dbraw/zinc/24/90/75/862249075.db2.gz HJIDBMBSARYGOC-RBBKRZOGSA-N 1 0 396.579 3.829 20 30 GHEDRO COc1ccccc1C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC000434684608 851492243 /nfs/dbraw/zinc/49/22/43/851492243.db2.gz JMNPYYRKAFSAFI-OAQYLSRUSA-N 1 0 393.487 3.577 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccccc1F ZINC000434707835 851495473 /nfs/dbraw/zinc/49/54/73/851495473.db2.gz TYIUVGXPFDUZRH-UHFFFAOYSA-N 1 0 389.858 3.595 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436389337 851548947 /nfs/dbraw/zinc/54/89/47/851548947.db2.gz MHDJXBKWTFNXBN-SFHVURJKSA-N 1 0 385.512 3.683 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000894514575 851570876 /nfs/dbraw/zinc/57/08/76/851570876.db2.gz LRBGNYDCQGYFPQ-UHFFFAOYSA-N 1 0 396.516 3.693 20 30 GHEDRO Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCCN(CC(C)(C)C)C3=O)CC2)nc1 ZINC000329737480 862275789 /nfs/dbraw/zinc/27/57/89/862275789.db2.gz MCTQIZYVAXACTL-SFHVURJKSA-N 1 0 386.540 3.727 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000604534867 862287582 /nfs/dbraw/zinc/28/75/82/862287582.db2.gz XDSVHPVWEFKHHM-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO C=CCn1cccc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000489037492 851937951 /nfs/dbraw/zinc/93/79/51/851937951.db2.gz AWFKJGHKCRMJOD-UHFFFAOYSA-N 1 0 390.325 3.641 20 30 GHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000732466855 862305800 /nfs/dbraw/zinc/30/58/00/862305800.db2.gz QIHRNFAUQADAAT-YADHBBJMSA-N 1 0 392.503 3.574 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1OC ZINC000516004090 852035984 /nfs/dbraw/zinc/03/59/84/852035984.db2.gz JSLMNLKUVPJTLL-UHFFFAOYSA-N 1 0 386.536 3.988 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CC1 ZINC000505845730 852046176 /nfs/dbraw/zinc/04/61/76/852046176.db2.gz QTXHQWRMZNVNMJ-UHFFFAOYSA-N 1 0 389.393 3.929 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000329779461 862317046 /nfs/dbraw/zinc/31/70/46/862317046.db2.gz LXXIEHIAAZUQFK-DQEVTTJGSA-N 1 0 387.549 3.582 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505862585 852183138 /nfs/dbraw/zinc/18/31/38/852183138.db2.gz MKIIONXEFUBMGU-OAQYLSRUSA-N 1 0 391.515 3.951 20 30 GHEDRO COc1cccc([C@H](C#N)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1OC ZINC000729428731 852212059 /nfs/dbraw/zinc/21/20/59/852212059.db2.gz GXUYNEAJILRUPZ-FQEVSTJZSA-N 1 0 393.487 3.684 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000489313055 852213265 /nfs/dbraw/zinc/21/32/65/852213265.db2.gz HSRUTUBKFBBUDP-QFIPXVFZSA-N 1 0 377.488 3.549 20 30 GHEDRO CCc1c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cnn1-c1ccccc1 ZINC000329805059 862333637 /nfs/dbraw/zinc/33/36/37/862333637.db2.gz MPSARYSPGOFGQW-GOSISDBHSA-N 1 0 381.524 3.788 20 30 GHEDRO CN(C)c1cc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)c2ccccc2n1 ZINC000329807634 862335289 /nfs/dbraw/zinc/33/52/89/862335289.db2.gz OTOSXTAJNRTVOY-UHFFFAOYSA-N 1 0 395.551 3.665 20 30 GHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc2c(c1)OCCCO2 ZINC000329811897 862337793 /nfs/dbraw/zinc/33/77/93/862337793.db2.gz MXZMWLFSRUIACD-QRVBRYPASA-N 1 0 388.508 3.842 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000517706709 852298014 /nfs/dbraw/zinc/29/80/14/852298014.db2.gz GCAJHXBFNKHHJE-XLIONFOSSA-N 1 0 385.533 3.602 20 30 GHEDRO CC(C)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000506219670 852350968 /nfs/dbraw/zinc/35/09/68/852350968.db2.gz ZBIQYTWBLNEHET-MRXNPFEDSA-N 1 0 389.565 3.964 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-n2cc(CC[NH3+])c3cc(O)ccc32)n1 ZINC001167984203 852376718 /nfs/dbraw/zinc/37/67/18/852376718.db2.gz XMSHKGGIXCPVPS-UHFFFAOYSA-N 1 0 392.503 3.945 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)cc1 ZINC000429176946 862358111 /nfs/dbraw/zinc/35/81/11/862358111.db2.gz ZCYHXGZYMFLJSU-XLIONFOSSA-N 1 0 388.920 3.818 20 30 GHEDRO COc1cc(C)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000438470540 852452552 /nfs/dbraw/zinc/45/25/52/852452552.db2.gz JBAQKWURLSCFBH-UHFFFAOYSA-N 1 0 381.476 3.759 20 30 GHEDRO N#CC1(NC(=O)c2ccc3ccccc3c2O)CC[NH+](Cc2ccccc2)CC1 ZINC000436884795 852456646 /nfs/dbraw/zinc/45/66/46/852456646.db2.gz HTEMCVVSKWCWBF-UHFFFAOYSA-N 1 0 385.467 3.834 20 30 GHEDRO COc1cc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)ccc1OCC[NH+](C)C ZINC000425678769 852602769 /nfs/dbraw/zinc/60/27/69/852602769.db2.gz KOLJIIVAIUMCSB-INIZCTEOSA-N 1 0 396.491 3.732 20 30 GHEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1C ZINC000517922392 852623019 /nfs/dbraw/zinc/62/30/19/852623019.db2.gz IMCWKGPMEHLBFJ-UHFFFAOYSA-N 1 0 381.501 3.528 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000505929158 852626710 /nfs/dbraw/zinc/62/67/10/852626710.db2.gz AMRJVDCMXBGRRX-RBUKOAKNSA-N 1 0 386.536 3.987 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507198694 852648609 /nfs/dbraw/zinc/64/86/09/852648609.db2.gz ZIXMYJUXJJWYGV-GOSISDBHSA-N 1 0 394.519 3.937 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000329861611 862380133 /nfs/dbraw/zinc/38/01/33/862380133.db2.gz XZBUFDNKRURDQG-QGZVFWFLSA-N 1 0 387.524 3.601 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CC1 ZINC000518006175 852707929 /nfs/dbraw/zinc/70/79/29/852707929.db2.gz BVVGMCUIMJZDGY-MRXNPFEDSA-N 1 0 391.585 3.537 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000516551139 852708433 /nfs/dbraw/zinc/70/84/33/852708433.db2.gz NYJHDLNQSQFZTB-MSOLQXFVSA-N 1 0 392.459 3.717 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000426140518 852814062 /nfs/dbraw/zinc/81/40/62/852814062.db2.gz PQEHDCCFAVGKDJ-UHFFFAOYSA-N 1 0 398.894 3.960 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000506353241 852832536 /nfs/dbraw/zinc/83/25/36/852832536.db2.gz CXVYXYMNFWNTSO-GOSISDBHSA-N 1 0 393.535 3.683 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[NH+]2CCCC2)o1 ZINC000506356960 852848810 /nfs/dbraw/zinc/84/88/10/852848810.db2.gz GWOIWRMNKIXACG-SIKLNZKXSA-N 1 0 395.503 3.816 20 30 GHEDRO CC[C@H](C)Oc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000426166232 852882117 /nfs/dbraw/zinc/88/21/17/852882117.db2.gz NRFFXGYBLYLFKC-SFHVURJKSA-N 1 0 379.504 3.940 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902335 852888751 /nfs/dbraw/zinc/88/87/51/852888751.db2.gz FGBXIWWFOFUGKT-CYBMUJFWSA-N 1 0 398.322 3.896 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000507428224 852905964 /nfs/dbraw/zinc/90/59/64/852905964.db2.gz KBEUMCMAMIFJBZ-BEFAXECRSA-N 1 0 378.432 3.621 20 30 GHEDRO C=CCc1cc(CN[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc(OC)c1O ZINC000414958232 852922437 /nfs/dbraw/zinc/92/24/37/852922437.db2.gz WKNXWCLHPSRURN-FXAWDEMLSA-N 1 0 388.458 3.643 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000518148112 852929875 /nfs/dbraw/zinc/92/98/75/852929875.db2.gz ZADNBVYJOODBGN-PGRDOPGGSA-N 1 0 397.544 3.545 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427279523 852930310 /nfs/dbraw/zinc/93/03/10/852930310.db2.gz HRIBKFSGGZBAQA-UHFFFAOYSA-N 1 0 398.514 3.715 20 30 GHEDRO CC1(C#N)CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000506048320 853125675 /nfs/dbraw/zinc/12/56/75/853125675.db2.gz XMGFVOUXZXWRNM-UHFFFAOYSA-N 1 0 384.261 3.686 20 30 GHEDRO COc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccc1OCCO ZINC000507654907 853156180 /nfs/dbraw/zinc/15/61/80/853156180.db2.gz YBCGVUVMTCGVSN-UHFFFAOYSA-N 1 0 380.488 3.560 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000518294963 853188540 /nfs/dbraw/zinc/18/85/40/853188540.db2.gz MKXZAJCRGOGWHC-NRFANRHFSA-N 1 0 398.551 3.769 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000506475020 853225399 /nfs/dbraw/zinc/22/53/99/853225399.db2.gz RMCXZLMHZRUJOQ-IRXDYDNUSA-N 1 0 388.943 3.737 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000437641736 853352413 /nfs/dbraw/zinc/35/24/13/853352413.db2.gz RNXFQNSNULYDPL-RBBKRZOGSA-N 1 0 385.552 3.699 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000437638313 853371611 /nfs/dbraw/zinc/37/16/11/853371611.db2.gz SNCKEWSOLPPIRV-VKUXKFIQSA-N 1 0 399.579 3.945 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3ccsc3)[NH+](C)C)c2c1 ZINC000517106306 853387874 /nfs/dbraw/zinc/38/78/74/853387874.db2.gz CBLAPUMYHZMHKO-QGZVFWFLSA-N 1 0 382.489 3.900 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@]1(C#N)CC3CCC1CC3)Cc1ccccc12 ZINC000913490758 853397331 /nfs/dbraw/zinc/39/73/31/853397331.db2.gz SMLFLGUQGHUWDO-SCPLRKQGSA-N 1 0 377.532 3.712 20 30 GHEDRO CC(=O)Nc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(C)c2)cc1 ZINC000055014316 853630545 /nfs/dbraw/zinc/63/05/45/853630545.db2.gz QDBOYOHUYQTSNM-UHFFFAOYSA-O 1 0 384.525 3.568 20 30 GHEDRO Cc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cs2)o1 ZINC000044566326 853661474 /nfs/dbraw/zinc/66/14/74/853661474.db2.gz HJUPOYQPVPIGFB-UHFFFAOYSA-N 1 0 394.500 3.787 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc4c(c(Cl)c3)OCO4)CC2)cc1 ZINC000055172464 853678346 /nfs/dbraw/zinc/67/83/46/853678346.db2.gz JDEIDRVHSBDBHY-UHFFFAOYSA-N 1 0 383.879 3.648 20 30 GHEDRO Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc(C[NH+]3CCC(O)CC3)c1)O2 ZINC000330005059 862498635 /nfs/dbraw/zinc/49/86/35/862498635.db2.gz DAKAQUGIJNLEMT-QFIPXVFZSA-N 1 0 380.488 3.934 20 30 GHEDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)c1ccc(C#N)cc1 ZINC000156599107 853890251 /nfs/dbraw/zinc/89/02/51/853890251.db2.gz ASMDVZGADMKJED-SFHVURJKSA-N 1 0 375.266 3.582 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000058452975 862517495 /nfs/dbraw/zinc/51/74/95/862517495.db2.gz ZEOISDOYAIQZFX-QZTJIDSGSA-N 1 0 392.503 3.798 20 30 GHEDRO C=CC[N@@H+](CCOc1ccc(Cl)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196004 853944815 /nfs/dbraw/zinc/94/48/15/853944815.db2.gz UGUDBNLEKBQDFW-INIZCTEOSA-N 1 0 383.883 3.944 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441218948 853993457 /nfs/dbraw/zinc/99/34/57/853993457.db2.gz VCJQTFSETIQHJE-SQNIBIBYSA-N 1 0 387.549 3.768 20 30 GHEDRO C=CCc1cc(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c(O)c(OC)c1 ZINC000164450161 854011007 /nfs/dbraw/zinc/01/10/07/854011007.db2.gz KBOSTBSFLLKZLX-MRXNPFEDSA-N 1 0 386.458 3.835 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000481911241 862526269 /nfs/dbraw/zinc/52/62/69/862526269.db2.gz PTVSAEGPWBJSMS-DEOSSOPVSA-N 1 0 375.516 3.948 20 30 GHEDRO COc1ccc2occ(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000441294869 854079564 /nfs/dbraw/zinc/07/95/64/854079564.db2.gz ZWKMMBPCMBHUFI-UHFFFAOYSA-N 1 0 389.455 3.730 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc(C#N)c1 ZINC000588150788 854145142 /nfs/dbraw/zinc/14/51/42/854145142.db2.gz BGJMDXGZWZFOJJ-CYFREDJKSA-N 1 0 388.515 3.927 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000441402370 854185394 /nfs/dbraw/zinc/18/53/94/854185394.db2.gz HLJQQPMUSWWMMT-OAHLLOKOSA-N 1 0 379.957 3.905 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000588204894 854216832 /nfs/dbraw/zinc/21/68/32/854216832.db2.gz HUQIMNBLEVWNEC-HOTGVXAUSA-N 1 0 375.538 3.502 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588235785 854226850 /nfs/dbraw/zinc/22/68/50/854226850.db2.gz OKJTZIKPFOAKHF-VQIMIIECSA-N 1 0 391.475 3.836 20 30 GHEDRO C=CCOc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000113236605 854452749 /nfs/dbraw/zinc/45/27/49/854452749.db2.gz CQGZEHMFSAPWGD-LJQANCHMSA-N 1 0 394.515 3.881 20 30 GHEDRO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328601024 854501199 /nfs/dbraw/zinc/50/11/99/854501199.db2.gz DTXAJVFPFNVIRD-ROUUACIJSA-N 1 0 388.560 3.537 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000328722941 854504013 /nfs/dbraw/zinc/50/40/13/854504013.db2.gz SCQVUADPCCBTAR-KDOFPFPSSA-N 1 0 381.467 3.901 20 30 GHEDRO CC[NH+]1CCC(NC(=O)CN2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000328694938 854512005 /nfs/dbraw/zinc/51/20/05/854512005.db2.gz GFKXQJLQMSTVIL-UHFFFAOYSA-N 1 0 390.503 3.567 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328695851 854512913 /nfs/dbraw/zinc/51/29/13/854512913.db2.gz DCPYHJXRYRKWOL-BQGCOEIASA-N 1 0 386.414 3.544 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(CN3CCCCC3=O)c2)C[C@H]1C ZINC000330099511 862573643 /nfs/dbraw/zinc/57/36/43/862573643.db2.gz DCPVSBGCXAMZHM-YLJYHZDGSA-N 1 0 386.540 3.549 20 30 GHEDRO O=C(Nc1cccc(Br)c1)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000330101267 862575068 /nfs/dbraw/zinc/57/50/68/862575068.db2.gz FBHTZHBKIGSXRH-HNNXBMFYSA-N 1 0 380.286 3.868 20 30 GHEDRO CC(C)(CNC(=O)c1coc(C2CCOCC2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000328829889 854564824 /nfs/dbraw/zinc/56/48/24/854564824.db2.gz USHREJSLJZLQJA-UHFFFAOYSA-N 1 0 383.492 3.710 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000328851599 854577010 /nfs/dbraw/zinc/57/70/10/854577010.db2.gz ZQVSEPBVQLXCDJ-NHCUHLMSSA-N 1 0 389.515 3.645 20 30 GHEDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481989532 862584606 /nfs/dbraw/zinc/58/46/06/862584606.db2.gz IVNQMNYXIPPTJX-HXUWFJFHSA-N 1 0 389.565 3.508 20 30 GHEDRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1OCCc2sccc21 ZINC000328912952 854620658 /nfs/dbraw/zinc/62/06/58/854620658.db2.gz HRVUKRKRPHFAGB-XBQLCILLSA-N 1 0 392.565 3.722 20 30 GHEDRO O=C(CC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1c(Cl)cccc1Cl ZINC000328977053 854638769 /nfs/dbraw/zinc/63/87/69/854638769.db2.gz QIPHVNJBLOLMTE-MAZHCROVSA-N 1 0 387.307 3.833 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c(F)cc1C ZINC000330573405 854702881 /nfs/dbraw/zinc/70/28/81/854702881.db2.gz PQDDWZJBCAECTC-KBXCAEBGSA-N 1 0 379.476 3.518 20 30 GHEDRO Cn1c(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)nc2cccc(Cl)c21 ZINC000330131215 862600760 /nfs/dbraw/zinc/60/07/60/862600760.db2.gz PNKAQQKGNJIWFL-HNNXBMFYSA-N 1 0 389.931 3.591 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccccc1 ZINC000131253315 862600908 /nfs/dbraw/zinc/60/09/08/862600908.db2.gz GZSXHDHKAYBQBG-UHFFFAOYSA-O 1 0 383.921 3.658 20 30 GHEDRO N#Cc1ccc(NC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000056519322 854767030 /nfs/dbraw/zinc/76/70/30/854767030.db2.gz PNTTWZFLRGLILK-UHFFFAOYSA-N 1 0 375.476 3.734 20 30 GHEDRO CCOc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000330911404 854777820 /nfs/dbraw/zinc/77/78/20/854777820.db2.gz QIGLRAHWNQTOET-DGCLKSJQSA-N 1 0 385.302 3.644 20 30 GHEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000589291193 854786702 /nfs/dbraw/zinc/78/67/02/854786702.db2.gz ULNFWKIQXWDLDE-JTHBVZDNSA-N 1 0 379.504 3.623 20 30 GHEDRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(C#N)cc1 ZINC000589325199 854791433 /nfs/dbraw/zinc/79/14/33/854791433.db2.gz VEGAOPIZPZAPBR-OFAXGOBFSA-N 1 0 388.515 3.783 20 30 GHEDRO Cc1csc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1Br ZINC000331110549 854807342 /nfs/dbraw/zinc/80/73/42/854807342.db2.gz BLRCHQFAALHARM-NSHDSACASA-N 1 0 388.331 3.761 20 30 GHEDRO COc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1Br ZINC000331279951 854829399 /nfs/dbraw/zinc/82/93/99/854829399.db2.gz SYQGGQUZFRYPIZ-UHFFFAOYSA-N 1 0 384.318 3.904 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CCCCC3)CC2)nc1-c1cccnc1 ZINC000165229396 854849130 /nfs/dbraw/zinc/84/91/30/854849130.db2.gz NXWQINCBQJUTRR-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc(C#N)cc(N(C)C)c3)C2)s1 ZINC000572531741 854865093 /nfs/dbraw/zinc/86/50/93/854865093.db2.gz IFSVTIVURJGKGI-KRWDZBQOSA-N 1 0 396.560 3.588 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(OCCF)c3)CC2)cc1 ZINC000122935281 855047265 /nfs/dbraw/zinc/04/72/65/855047265.db2.gz MTTICIWPZJOLQB-UHFFFAOYSA-N 1 0 396.466 3.646 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000589606295 855057246 /nfs/dbraw/zinc/05/72/46/855057246.db2.gz HPHRTCMIYXCJHY-QFIPXVFZSA-N 1 0 376.504 3.660 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(Cc1ccccc1)C(C)C ZINC000669336658 855065348 /nfs/dbraw/zinc/06/53/48/855065348.db2.gz PCTCJSUBMTYEAL-RTWAWAEBSA-N 1 0 395.551 3.805 20 30 GHEDRO C[C@H]1C[C@@H](CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000553511135 855090004 /nfs/dbraw/zinc/09/00/04/855090004.db2.gz QUFVILRAYLFZMS-DOTOQJQBSA-N 1 0 379.464 3.761 20 30 GHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2cccc(C)c2)c1 ZINC000186965888 862641266 /nfs/dbraw/zinc/64/12/66/862641266.db2.gz LCHDAKAAJURLBA-UHFFFAOYSA-O 1 0 390.488 3.920 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000054537778 855165725 /nfs/dbraw/zinc/16/57/25/855165725.db2.gz ZHYSOIBIEYDTQC-UHFFFAOYSA-N 1 0 380.492 3.941 20 30 GHEDRO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330196038 862652929 /nfs/dbraw/zinc/65/29/29/862652929.db2.gz PPZUJPLHLDYVET-ISARSNTHSA-N 1 0 379.570 3.696 20 30 GHEDRO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)n1 ZINC000273366023 855311237 /nfs/dbraw/zinc/31/12/37/855311237.db2.gz KGKMJFQBGFTLNF-OAHLLOKOSA-N 1 0 378.432 3.737 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)C(=O)NC1(C#N)CCCCC1 ZINC000590193373 855316748 /nfs/dbraw/zinc/31/67/48/855316748.db2.gz PJQHJQJOHLZUBS-STQMWFEESA-N 1 0 396.304 3.970 20 30 GHEDRO CS[C@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1[NH+]1CCCC1 ZINC000499401354 855335079 /nfs/dbraw/zinc/33/50/79/855335079.db2.gz VGMIDBOAHQBNDI-AEFFLSMTSA-N 1 0 385.558 3.733 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107234785 855385701 /nfs/dbraw/zinc/38/57/01/855385701.db2.gz SMZZYDSHRNUMTN-LEWJYISDSA-N 1 0 381.907 3.906 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)[C@@H]2C1 ZINC000590442303 855422260 /nfs/dbraw/zinc/42/22/60/855422260.db2.gz FGCIGFOHFIDDFF-SJLPKXTDSA-N 1 0 381.863 3.780 20 30 GHEDRO Cc1ccc(OCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C ZINC000107602329 855493142 /nfs/dbraw/zinc/49/31/42/855493142.db2.gz LZPXGBZHEAWONL-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000330245943 862691333 /nfs/dbraw/zinc/69/13/33/862691333.db2.gz KZNQONQSMLCSGT-JXFKEZNVSA-N 1 0 379.508 3.600 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000590758537 855565942 /nfs/dbraw/zinc/56/59/42/855565942.db2.gz CPSANNCPSHFDRA-YADHBBJMSA-N 1 0 395.547 3.831 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(F)cc1 ZINC000465681005 855578008 /nfs/dbraw/zinc/57/80/08/855578008.db2.gz GUIHOXMYWQTLDN-FDFHNCONSA-N 1 0 394.494 3.910 20 30 GHEDRO CCOC(=O)CC(C)(C)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000553888856 855604090 /nfs/dbraw/zinc/60/40/90/855604090.db2.gz LRFOHSCOWIESJP-UHFFFAOYSA-N 1 0 385.508 3.578 20 30 GHEDRO C[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000301282504 855654567 /nfs/dbraw/zinc/65/45/67/855654567.db2.gz KMQRSEFRGHUEDP-HNNXBMFYSA-N 1 0 389.425 3.595 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000590927501 855657183 /nfs/dbraw/zinc/65/71/83/855657183.db2.gz FJVYOUCRIVVVNC-MGPUTAFESA-N 1 0 382.533 3.943 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000590927500 855657428 /nfs/dbraw/zinc/65/74/28/855657428.db2.gz FJVYOUCRIVVVNC-FOIQADDNSA-N 1 0 382.533 3.943 20 30 GHEDRO Cc1nc(-c2cccnc2)nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000301306345 855659403 /nfs/dbraw/zinc/65/94/03/855659403.db2.gz YVIZEEJLHLCQSR-UHFFFAOYSA-N 1 0 398.514 3.739 20 30 GHEDRO Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)n2c3ccccc3nc2c1C#N ZINC000301476761 855700489 /nfs/dbraw/zinc/70/04/89/855700489.db2.gz OTWQWHJPMIZPTA-UHFFFAOYSA-N 1 0 391.519 3.969 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000056986131 855746654 /nfs/dbraw/zinc/74/66/54/855746654.db2.gz DNQSXNNIUYRULN-UHFFFAOYSA-N 1 0 391.515 3.941 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3nc4c(cc3C#N)CCCC4)C2)cc(OC)c1 ZINC000301905289 855779646 /nfs/dbraw/zinc/77/96/46/855779646.db2.gz YNFIKQLFVIGDMH-LJQANCHMSA-N 1 0 392.503 3.536 20 30 GHEDRO N#Cc1ccc(N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000301973124 855792718 /nfs/dbraw/zinc/79/27/18/855792718.db2.gz UTRXZZGQNOGNHB-UHFFFAOYSA-N 1 0 376.291 3.757 20 30 GHEDRO N#Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c1 ZINC000057274296 855841698 /nfs/dbraw/zinc/84/16/98/855841698.db2.gz OGSZZNJQFPCQGQ-UHFFFAOYSA-N 1 0 397.482 3.528 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(-c4ccoc4)n3)CC2)cc1 ZINC000108357602 855843054 /nfs/dbraw/zinc/84/30/54/855843054.db2.gz QGYOYGOVPBAVFE-UHFFFAOYSA-N 1 0 378.501 3.983 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1F ZINC000591288188 855885844 /nfs/dbraw/zinc/88/58/44/855885844.db2.gz UMSGKJXZJANPGG-RDTXWAMCSA-N 1 0 380.423 3.705 20 30 GHEDRO N#Cc1cccc(C#N)c1Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000302870222 855953724 /nfs/dbraw/zinc/95/37/24/855953724.db2.gz BIQCOHPXQQSSGD-UHFFFAOYSA-N 1 0 394.482 3.891 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000542811554 855967563 /nfs/dbraw/zinc/96/75/63/855967563.db2.gz SAKWQJBPZOVMEY-JPYJTQIMSA-N 1 0 399.498 3.649 20 30 GHEDRO CCN(Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000485011653 855990331 /nfs/dbraw/zinc/99/03/31/855990331.db2.gz AGASBRHINWVAPT-SFHVURJKSA-N 1 0 395.503 3.861 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000108820245 856026041 /nfs/dbraw/zinc/02/60/41/856026041.db2.gz ZCZHYUXGOXQAOE-HARLFGEKSA-N 1 0 391.515 3.913 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000153797612 856138169 /nfs/dbraw/zinc/13/81/69/856138169.db2.gz JDCARFKVBMQAPW-UHFFFAOYSA-N 1 0 385.577 3.906 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000171483435 856158823 /nfs/dbraw/zinc/15/88/23/856158823.db2.gz QKVZUTLOGYJDDW-QGZVFWFLSA-N 1 0 394.494 3.929 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)CC1 ZINC000520724534 856187054 /nfs/dbraw/zinc/18/70/54/856187054.db2.gz UMCZYPVBTVFRFX-UHFFFAOYSA-N 1 0 388.515 3.860 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000591763713 856231561 /nfs/dbraw/zinc/23/15/61/856231561.db2.gz DHSREYBMBYZWGY-KSSFIOAISA-N 1 0 377.271 3.882 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000591763849 856231836 /nfs/dbraw/zinc/23/18/36/856231836.db2.gz MSIBTNPRZJOOMF-KUHUBIRLSA-N 1 0 377.271 3.882 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000171728593 856243939 /nfs/dbraw/zinc/24/39/39/856243939.db2.gz KRJKRGNWIOYTDR-SFHVURJKSA-N 1 0 379.451 3.615 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000171769486 862774983 /nfs/dbraw/zinc/77/49/83/862774983.db2.gz QDKNKCWYMJZPCR-UHFFFAOYSA-N 1 0 382.414 3.960 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485234446 856265590 /nfs/dbraw/zinc/26/55/90/856265590.db2.gz VDTXMDHAUAJNBX-JXFKEZNVSA-N 1 0 393.487 3.812 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000045927721 856266332 /nfs/dbraw/zinc/26/63/32/856266332.db2.gz RXLVCJPLFTVZEI-HTAPYJJXSA-N 1 0 395.503 3.533 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157458766 856271057 /nfs/dbraw/zinc/27/10/57/856271057.db2.gz ORQASLZHSBKWER-RTWAWAEBSA-N 1 0 382.552 3.581 20 30 GHEDRO CSc1cccc(N(C(=O)c2ccc(C#N)c(C)n2)C2CC[NH+](C)CC2)c1 ZINC000171999526 856318739 /nfs/dbraw/zinc/31/87/39/856318739.db2.gz BVLWOGUNSBRJHU-UHFFFAOYSA-N 1 0 380.517 3.725 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000109855719 856382712 /nfs/dbraw/zinc/38/27/12/856382712.db2.gz GTDIKJFPSWMXCA-KRWDZBQOSA-N 1 0 395.528 3.822 20 30 GHEDRO CN(C(=O)NCc1ccc(C#N)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172264322 856386370 /nfs/dbraw/zinc/38/63/70/856386370.db2.gz ZTQNQQVZJSBYIF-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000591923915 856402449 /nfs/dbraw/zinc/40/24/49/856402449.db2.gz PFFAHZPYKIBAKW-MOPGFXCFSA-N 1 0 384.911 3.940 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000159533552 862798789 /nfs/dbraw/zinc/79/87/89/862798789.db2.gz XDEZFOWVYSDYIY-OXQOHEQNSA-N 1 0 382.508 3.826 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1 ZINC000091687876 856568855 /nfs/dbraw/zinc/56/88/55/856568855.db2.gz FBEJZMHJXLHHRG-UHFFFAOYSA-N 1 0 377.488 3.643 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000507860155 856585402 /nfs/dbraw/zinc/58/54/02/856585402.db2.gz ARZZCKXNBQIYIQ-UHFFFAOYSA-N 1 0 381.451 3.951 20 30 GHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)CNC(=O)CC3CCCCC3)C1)CCCC2 ZINC000330302414 862818924 /nfs/dbraw/zinc/81/89/24/862818924.db2.gz OKBCTZURLKSDCI-SFHVURJKSA-N 1 0 386.540 3.771 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000465871613 856706154 /nfs/dbraw/zinc/70/61/54/856706154.db2.gz ZSCQSGVKWBRYPJ-GOSISDBHSA-N 1 0 390.959 3.649 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000111048946 856756553 /nfs/dbraw/zinc/75/65/53/856756553.db2.gz LJEYQXOGTQCKOT-AWEZNQCLSA-N 1 0 391.924 3.619 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177038 856761577 /nfs/dbraw/zinc/76/15/77/856761577.db2.gz HBCAOIOQQNZEHT-QFIPXVFZSA-N 1 0 378.472 3.605 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(CC#N)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000592371109 856784057 /nfs/dbraw/zinc/78/40/57/856784057.db2.gz KDROOSMBKGOTPQ-UHFFFAOYSA-N 1 0 388.471 3.604 20 30 GHEDRO N#Cc1ccc(F)c(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000888367301 856827165 /nfs/dbraw/zinc/82/71/65/856827165.db2.gz BHHPMRLWUPEXMH-QFIPXVFZSA-N 1 0 378.451 3.827 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000427907105 856863281 /nfs/dbraw/zinc/86/32/81/856863281.db2.gz SWNRGKJQYRFPML-HNNXBMFYSA-N 1 0 382.895 3.769 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(C#N)cc1 ZINC000075323391 856870924 /nfs/dbraw/zinc/87/09/24/856870924.db2.gz RVUPVMLDFGVCHR-HSZRJFAPSA-N 1 0 375.516 3.861 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000111261416 856876072 /nfs/dbraw/zinc/87/60/72/856876072.db2.gz AVVMXKABKQXKAM-UHFFFAOYSA-N 1 0 377.488 3.816 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[NH+](C3CCC3)CC2)c1=S ZINC000733296954 862858417 /nfs/dbraw/zinc/85/84/17/862858417.db2.gz GHEREAPFTPZUAI-UHFFFAOYSA-N 1 0 383.565 3.703 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000330313198 862859954 /nfs/dbraw/zinc/85/99/54/862859954.db2.gz WZEBQPWDGSSSPA-SFHVURJKSA-N 1 0 388.508 3.685 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944976 857052398 /nfs/dbraw/zinc/05/23/98/857052398.db2.gz JEUGVABDZSOJFC-PKOBYXMFSA-N 1 0 397.544 3.547 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888409597 857095038 /nfs/dbraw/zinc/09/50/38/857095038.db2.gz JCFJMALXJUVXQZ-UHFFFAOYSA-N 1 0 399.854 3.542 20 30 GHEDRO N#Cc1sc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1Cl ZINC000888409534 857095090 /nfs/dbraw/zinc/09/50/90/857095090.db2.gz HLBXLINQDVXNLQ-NSHDSACASA-N 1 0 395.941 3.763 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000173793590 857152877 /nfs/dbraw/zinc/15/28/77/857152877.db2.gz BNTZIUUCRXHAFH-HXUWFJFHSA-N 1 0 391.515 3.941 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000173883411 857174829 /nfs/dbraw/zinc/17/48/29/857174829.db2.gz CTSFYWYABWWUGR-LJQANCHMSA-N 1 0 399.583 3.694 20 30 GHEDRO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)o1 ZINC000592366113 857204195 /nfs/dbraw/zinc/20/41/95/857204195.db2.gz UDSUAWNGJXUNLO-UHFFFAOYSA-N 1 0 391.475 3.735 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000245976602 857209017 /nfs/dbraw/zinc/20/90/17/857209017.db2.gz GHEKWPJBCFSYNE-HTAPYJJXSA-N 1 0 376.504 3.707 20 30 GHEDRO CN(C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174243973 857235175 /nfs/dbraw/zinc/23/51/75/857235175.db2.gz URFLBWBHTCVRAJ-FQEVSTJZSA-N 1 0 380.467 3.503 20 30 GHEDRO COC(=O)c1ccc(NCc2cccc(C[NH+]3CCCCCC3)c2)c(C#N)n1 ZINC000520838350 857267565 /nfs/dbraw/zinc/26/75/65/857267565.db2.gz YEQLLCSFTFWWIM-UHFFFAOYSA-N 1 0 378.476 3.728 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+]2CCCC2)cc1 ZINC000174452707 857315448 /nfs/dbraw/zinc/31/54/48/857315448.db2.gz KUTQVQJSULBZLP-OAQYLSRUSA-N 1 0 380.467 3.642 20 30 GHEDRO N#Cc1cc(Br)cnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311076709 857338541 /nfs/dbraw/zinc/33/85/41/857338541.db2.gz VXEQNIHYPWXRIH-WMZOPIPTSA-N 1 0 397.320 3.674 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246520319 857399205 /nfs/dbraw/zinc/39/92/05/857399205.db2.gz XHZFTTJOYMSILX-QUCCMNQESA-N 1 0 382.533 3.844 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccc(C#N)cc1 ZINC000174935411 857409977 /nfs/dbraw/zinc/40/99/77/857409977.db2.gz DSVQAALLBZBBAK-HXUWFJFHSA-N 1 0 379.529 3.631 20 30 GHEDRO COc1ccc([C@H](C)CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000175184997 857459352 /nfs/dbraw/zinc/45/93/52/857459352.db2.gz YWYBDEATWDYQQJ-LJQANCHMSA-N 1 0 391.515 3.795 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000520991158 857467841 /nfs/dbraw/zinc/46/78/41/857467841.db2.gz KUKPDTBQDQYKQR-UHFFFAOYSA-N 1 0 385.552 3.765 20 30 GHEDRO C=CCCCC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC001129027690 857512041 /nfs/dbraw/zinc/51/20/41/857512041.db2.gz APZBZEGGXPDMOS-AWEZNQCLSA-N 1 0 380.330 3.884 20 30 GHEDRO CC[C@@H](C#N)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000593410267 857551497 /nfs/dbraw/zinc/55/14/97/857551497.db2.gz NTAYURLGUCEKIX-FQEVSTJZSA-N 1 0 376.504 3.806 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000065473412 857617208 /nfs/dbraw/zinc/61/72/08/857617208.db2.gz BMSIVADINNMIPZ-LJQANCHMSA-N 1 0 384.455 3.909 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000593556236 857625133 /nfs/dbraw/zinc/62/51/33/857625133.db2.gz JLQAXTWCTQTUQJ-UHFFFAOYSA-N 1 0 389.565 3.563 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000255282777 857647590 /nfs/dbraw/zinc/64/75/90/857647590.db2.gz BUOKGYQSZURCGO-HYXAFXHYSA-N 1 0 378.432 3.854 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(C4CCCCC4)n[nH]3)CC2)c1 ZINC000593885352 862937408 /nfs/dbraw/zinc/93/74/08/862937408.db2.gz CTKDGSUANZYVIM-UHFFFAOYSA-N 1 0 391.519 3.723 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)on2)c1 ZINC000574335939 857709668 /nfs/dbraw/zinc/70/96/68/857709668.db2.gz XLVUFUQDYIHVBG-SFHVURJKSA-N 1 0 392.484 3.842 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000159701787 862941547 /nfs/dbraw/zinc/94/15/47/862941547.db2.gz QQDFGOGWQZIQOF-UHFFFAOYSA-N 1 0 398.551 3.668 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 ZINC001137544537 857733216 /nfs/dbraw/zinc/73/32/16/857733216.db2.gz FRTWXJUPLQAOTE-UHFFFAOYSA-N 1 0 381.561 3.570 20 30 GHEDRO CC1(C)Cc2cccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2O1 ZINC000594000797 857825304 /nfs/dbraw/zinc/82/53/04/857825304.db2.gz IAPKIVXPCJKHKR-UHFFFAOYSA-N 1 0 389.499 3.688 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000593966388 857833638 /nfs/dbraw/zinc/83/36/38/857833638.db2.gz CCPBZBJRKSOXKN-JOCHJYFZSA-N 1 0 380.463 3.811 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000066187348 857994768 /nfs/dbraw/zinc/99/47/68/857994768.db2.gz MEIAZXNAAGFTQS-JOCHJYFZSA-N 1 0 378.520 3.651 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(C#N)c1 ZINC000486725546 858025122 /nfs/dbraw/zinc/02/51/22/858025122.db2.gz YSXVZHODQOIYOT-KRWDZBQOSA-N 1 0 377.488 3.505 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000439010766 858027930 /nfs/dbraw/zinc/02/79/30/858027930.db2.gz XOEATRXFURTTIW-JRJVTICQSA-N 1 0 389.927 3.802 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000157986782 858068225 /nfs/dbraw/zinc/06/82/25/858068225.db2.gz QEKDTTGIUNBECV-OAHLLOKOSA-N 1 0 395.528 3.935 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000594364634 858094432 /nfs/dbraw/zinc/09/44/32/858094432.db2.gz BZMMEYOCFXYLSE-IERDGZPVSA-N 1 0 381.545 3.878 20 30 GHEDRO COc1cccc([C@H]2[C@@H](Nc3ccc(C#N)c([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000574613069 858114125 /nfs/dbraw/zinc/11/41/25/858114125.db2.gz GFYQDNBVOSUFGD-FPOVZHCZSA-N 1 0 378.432 3.865 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000521566956 858120439 /nfs/dbraw/zinc/12/04/39/858120439.db2.gz JQOJGTFARDDNNB-UHFFFAOYSA-N 1 0 379.529 3.693 20 30 GHEDRO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000330338980 862989159 /nfs/dbraw/zinc/98/91/59/862989159.db2.gz WCPIQGTZTRZIQX-XNKSBNDBSA-N 1 0 395.551 3.582 20 30 GHEDRO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)ccc1C#N ZINC000442817612 858159728 /nfs/dbraw/zinc/15/97/28/858159728.db2.gz ZJKLEQSHWIFLHC-UHFFFAOYSA-N 1 0 395.478 3.543 20 30 GHEDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114687269 858167807 /nfs/dbraw/zinc/16/78/07/858167807.db2.gz JEZRUEOYENKRMW-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c2)c1 ZINC000594428481 858174326 /nfs/dbraw/zinc/17/43/26/858174326.db2.gz MIZNHESBFYHDKL-FQEVSTJZSA-N 1 0 393.491 3.667 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000594431395 858175147 /nfs/dbraw/zinc/17/51/47/858175147.db2.gz LPXVTVTZWNXLRD-SFHVURJKSA-N 1 0 384.867 3.942 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000521618084 858179042 /nfs/dbraw/zinc/17/90/42/858179042.db2.gz MMAPPVPIZDDNJR-UHFFFAOYSA-N 1 0 379.435 3.870 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000594452209 858179848 /nfs/dbraw/zinc/17/98/48/858179848.db2.gz FAOGERWGNMBZIM-MRXNPFEDSA-N 1 0 376.913 3.533 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000594457197 858181140 /nfs/dbraw/zinc/18/11/40/858181140.db2.gz VTWFYIYFCFIREA-ZWKOTPCHSA-N 1 0 381.480 3.592 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000594426083 858185228 /nfs/dbraw/zinc/18/52/28/858185228.db2.gz PHUVVKMWSVUHQT-NRFANRHFSA-N 1 0 387.487 3.567 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000594495781 858191103 /nfs/dbraw/zinc/19/11/03/858191103.db2.gz VZQDZRKESFUSKF-UHFFFAOYSA-N 1 0 390.531 3.680 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000594502468 858194124 /nfs/dbraw/zinc/19/41/24/858194124.db2.gz IKWCALLQEHYXLM-QFIPXVFZSA-N 1 0 375.516 3.811 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)c(OC)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000442878043 858198705 /nfs/dbraw/zinc/19/87/05/858198705.db2.gz CQEINSIESGKCQS-UHFFFAOYSA-N 1 0 393.535 3.855 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000594516359 858206739 /nfs/dbraw/zinc/20/67/39/858206739.db2.gz YSUBOCCCMLOSCM-AUSIDOKSSA-N 1 0 377.532 3.867 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000443018128 858297429 /nfs/dbraw/zinc/29/74/29/858297429.db2.gz IOSVZZXSIBDDTL-UYAOXDASSA-N 1 0 397.544 3.713 20 30 GHEDRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)CC2)oc1C ZINC000594925228 858305666 /nfs/dbraw/zinc/30/56/66/858305666.db2.gz QSNCTHDDJIVSIC-UHFFFAOYSA-N 1 0 378.520 3.848 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)cc(OC)c1 ZINC000594931453 858306479 /nfs/dbraw/zinc/30/64/79/858306479.db2.gz FKPFJFVOZGERSH-OAQYLSRUSA-N 1 0 391.515 3.623 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000574813488 858325454 /nfs/dbraw/zinc/32/54/54/858325454.db2.gz NLVXRQRHGKYFAY-DHIUTWEWSA-N 1 0 384.483 3.588 20 30 GHEDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000595047710 858378917 /nfs/dbraw/zinc/37/89/17/858378917.db2.gz FOUPEROVGODAOV-URXFXBBRSA-N 1 0 394.515 3.544 20 30 GHEDRO N#CCCC[C@@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000595245168 858450829 /nfs/dbraw/zinc/45/08/29/858450829.db2.gz GWFVMLWAQKPAPM-NHCUHLMSSA-N 1 0 378.476 3.904 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595269526 858457737 /nfs/dbraw/zinc/45/77/37/858457737.db2.gz CBUBXDLZYYAQAG-ACESQOTJSA-N 1 0 388.515 3.613 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000595443712 858531272 /nfs/dbraw/zinc/53/12/72/858531272.db2.gz HTPLDLUHBZHYGF-VAMGGRTRSA-N 1 0 382.552 4.000 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc(C#N)c(O)c1)C1CCCCC1 ZINC000443305769 858550270 /nfs/dbraw/zinc/55/02/70/858550270.db2.gz DOLPVCPEPGKMGJ-UHFFFAOYSA-N 1 0 377.488 3.958 20 30 GHEDRO CC[NH+](CC)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000067551189 858610664 /nfs/dbraw/zinc/61/06/64/858610664.db2.gz JEJCIQAYPGHEGM-UHFFFAOYSA-N 1 0 382.464 3.822 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000171093586 863043292 /nfs/dbraw/zinc/04/32/92/863043292.db2.gz LLESBPJRAADCGP-INIZCTEOSA-N 1 0 383.473 3.557 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCC[C@H](CC#N)C1 ZINC000595619972 858619227 /nfs/dbraw/zinc/61/92/27/858619227.db2.gz IGDVKUBBMUAGHX-HZPDHXFCSA-N 1 0 396.516 3.953 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c(OC)c1 ZINC000595634898 858625110 /nfs/dbraw/zinc/62/51/10/858625110.db2.gz HQNMXPMAJCALFZ-HXUWFJFHSA-N 1 0 380.488 3.560 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000595637360 858626081 /nfs/dbraw/zinc/62/60/81/858626081.db2.gz ZDGKXIMPTONUDY-QGZVFWFLSA-N 1 0 378.394 3.842 20 30 GHEDRO COc1cc(OC)c(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1Cl ZINC000595641043 858634793 /nfs/dbraw/zinc/63/47/93/858634793.db2.gz XPXMVWHCTILLKG-UHFFFAOYSA-N 1 0 387.867 3.692 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nc1 ZINC000522137854 858658710 /nfs/dbraw/zinc/65/87/10/858658710.db2.gz CXQIOCMSSLPNDI-IBGZPJMESA-N 1 0 384.911 3.900 20 30 GHEDRO COC(=O)c1cccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1Cl ZINC000595769827 858665976 /nfs/dbraw/zinc/66/59/76/858665976.db2.gz SXJCXCURYYTDPU-UHFFFAOYSA-N 1 0 384.863 3.794 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000595755791 858676454 /nfs/dbraw/zinc/67/64/54/858676454.db2.gz CQYWHLBMFZWAKD-REWPJTCUSA-N 1 0 378.472 3.614 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000595831340 858702408 /nfs/dbraw/zinc/70/24/08/858702408.db2.gz NZJQTQWLOBJHTE-RTWAWAEBSA-N 1 0 378.472 3.614 20 30 GHEDRO CC1(C)C[C@@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C(C)(C)O1 ZINC000132660185 858789398 /nfs/dbraw/zinc/78/93/98/858789398.db2.gz HJNUILTXZMHUFP-MRXNPFEDSA-N 1 0 375.538 3.763 20 30 GHEDRO N#Cc1cc2cccnc2nc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000596167970 858810860 /nfs/dbraw/zinc/81/08/60/858810860.db2.gz KCVYHONMIDJOKB-IFMALSPDSA-N 1 0 383.499 3.992 20 30 GHEDRO N#Cc1cc(N2CCC([NH2+]Cc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000596252802 858829416 /nfs/dbraw/zinc/82/94/16/858829416.db2.gz SCPGLEVUTPOSSG-UHFFFAOYSA-N 1 0 387.443 3.773 20 30 GHEDRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1Br ZINC000429256927 858838069 /nfs/dbraw/zinc/83/80/69/858838069.db2.gz MKGSPOHCBUQAAC-IBGZPJMESA-N 1 0 394.357 3.723 20 30 GHEDRO COc1ccc(-c2nccc(NC3CC[NH+](Cc4cccc(C#N)c4)CC3)n2)cc1 ZINC000596291083 858839352 /nfs/dbraw/zinc/83/93/52/858839352.db2.gz GACJOSHZVCNZSH-UHFFFAOYSA-N 1 0 399.498 3.522 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3scnc3C3CC3)CC2)c1 ZINC000593175425 858876690 /nfs/dbraw/zinc/87/66/90/858876690.db2.gz OUSCTJKQGVOLSF-UHFFFAOYSA-N 1 0 381.505 3.678 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2C)c1C#N ZINC000482845726 858914752 /nfs/dbraw/zinc/91/47/52/858914752.db2.gz ROWYFNJDRNTKPM-GOEBONIOSA-N 1 0 382.483 3.833 20 30 GHEDRO CCc1cc(C#N)ccc1OC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC001128473749 858965552 /nfs/dbraw/zinc/96/55/52/858965552.db2.gz COWHCZCRGCERDM-UHFFFAOYSA-N 1 0 377.488 3.870 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Oc1ccccc1 ZINC000556996913 881365959 /nfs/dbraw/zinc/36/59/59/881365959.db2.gz AMDNCGNIFWCPNQ-CALCHBBNSA-N 1 0 376.460 3.814 20 30 GHEDRO COc1cc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000429299370 858972144 /nfs/dbraw/zinc/97/21/44/858972144.db2.gz YFTHLWBVDOWITR-UPHUGPLXSA-N 1 0 380.488 3.880 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466300835 859056792 /nfs/dbraw/zinc/05/67/92/859056792.db2.gz YDURAOWQYGXVOW-JOCHJYFZSA-N 1 0 382.552 3.990 20 30 GHEDRO N#Cc1sccc1C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923163921 859079030 /nfs/dbraw/zinc/07/90/30/859079030.db2.gz AVUQZSUJWLAMQI-SFHVURJKSA-N 1 0 395.528 3.563 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000522337242 859085201 /nfs/dbraw/zinc/08/52/01/859085201.db2.gz XJVLLUVNSXSBJN-LJQANCHMSA-N 1 0 395.482 3.549 20 30 GHEDRO N#CC1(CC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000596833727 859115307 /nfs/dbraw/zinc/11/53/07/859115307.db2.gz MQCRUGLGCOFEBD-UHFFFAOYSA-N 1 0 396.579 3.565 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c([N+](=O)[O-])c1 ZINC001170353744 881388529 /nfs/dbraw/zinc/38/85/29/881388529.db2.gz DTATVLAURYKLIN-IIBYNOLFSA-N 1 0 395.459 3.949 20 30 GHEDRO C=CCC1([NH2+]CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)CCCCC1 ZINC000625936545 859187895 /nfs/dbraw/zinc/18/78/95/859187895.db2.gz PKDZKNDLSRFWLB-UHFFFAOYSA-N 1 0 378.538 3.677 20 30 GHEDRO COCCOc1ccccc1N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597019504 859239183 /nfs/dbraw/zinc/23/91/83/859239183.db2.gz JEWAZENZMFXCCL-UHFFFAOYSA-N 1 0 391.515 3.589 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000499723636 859303544 /nfs/dbraw/zinc/30/35/44/859303544.db2.gz GQDNWGMKBBRGJD-QHCPKHFHSA-N 1 0 391.515 3.656 20 30 GHEDRO CC(=O)OCc1ccc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)o1 ZINC001141791933 859320172 /nfs/dbraw/zinc/32/01/72/859320172.db2.gz IYERRFDKEYWOCG-UHFFFAOYSA-N 1 0 388.851 3.911 20 30 GHEDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597230273 859364501 /nfs/dbraw/zinc/36/45/01/859364501.db2.gz FJSXGQBLZQOFEL-JOCHJYFZSA-N 1 0 391.515 3.874 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000429437956 859372384 /nfs/dbraw/zinc/37/23/84/859372384.db2.gz QGGPXCCDLDWVPN-ZFWWWQNUSA-N 1 0 391.284 3.962 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453719923 881423322 /nfs/dbraw/zinc/42/33/22/881423322.db2.gz AUYCBKZHZYKYLZ-JOCHJYFZSA-N 1 0 391.515 3.779 20 30 GHEDRO C[N@H+](CCCSCC#N)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000466744850 859459004 /nfs/dbraw/zinc/45/90/04/859459004.db2.gz WKOVABIGYYQJPH-UHFFFAOYSA-N 1 0 389.546 3.566 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ocnc3-c3ccccc3)CC2)c1 ZINC000593350565 859523813 /nfs/dbraw/zinc/52/38/13/859523813.db2.gz YECQTSWOYOXTLE-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO CC[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(OC)cc1 ZINC000593350703 859524790 /nfs/dbraw/zinc/52/47/90/859524790.db2.gz DPVMPKKVGSWAHJ-HSZRJFAPSA-N 1 0 391.515 3.841 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 ZINC000593351149 859526568 /nfs/dbraw/zinc/52/65/68/859526568.db2.gz IVKIIZDYYLHRGZ-UHFFFAOYSA-N 1 0 385.870 3.674 20 30 GHEDRO CC[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593351581 859528975 /nfs/dbraw/zinc/52/89/75/859528975.db2.gz MOESVYGUJPYBTK-QFIPXVFZSA-N 1 0 379.479 3.972 20 30 GHEDRO C[NH+]1CCC(n2cc(NC(=O)c3ccccc3-c3ccccc3C#N)cn2)CC1 ZINC000601780735 859530677 /nfs/dbraw/zinc/53/06/77/859530677.db2.gz ZBSROPQLDKRPCN-UHFFFAOYSA-N 1 0 385.471 3.941 20 30 GHEDRO Cc1cccc2[nH]cc(CC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c21 ZINC000593355440 859544479 /nfs/dbraw/zinc/54/44/79/859544479.db2.gz XEGSZRIMPGRQJR-UHFFFAOYSA-N 1 0 386.499 3.671 20 30 GHEDRO C[C@@H](CCOc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593353247 859546291 /nfs/dbraw/zinc/54/62/91/859546291.db2.gz IJANSEAMPBCFEP-IBGZPJMESA-N 1 0 391.515 3.744 20 30 GHEDRO COc1ccccc1[C@H](C)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593354502 859554230 /nfs/dbraw/zinc/55/42/30/859554230.db2.gz PUHMTTMWARSKME-GOSISDBHSA-N 1 0 391.515 3.841 20 30 GHEDRO C#CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000764725067 859582075 /nfs/dbraw/zinc/58/20/75/859582075.db2.gz JZJTYOCHIKSNPA-LPHOPBHVSA-N 1 0 393.453 3.896 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC(=O)Nc4ccccc43)C2)c(F)c1 ZINC000543403243 859597290 /nfs/dbraw/zinc/59/72/90/859597290.db2.gz SIKOHCGNMWNMFM-JXFKEZNVSA-N 1 0 378.451 3.729 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@H]1C ZINC000611226814 859651177 /nfs/dbraw/zinc/65/11/77/859651177.db2.gz OBQACUQGANAWGH-HZPDHXFCSA-N 1 0 379.464 3.692 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1OC ZINC000466474635 859663175 /nfs/dbraw/zinc/66/31/75/859663175.db2.gz QMANJXAODVUYKH-XLIONFOSSA-N 1 0 380.488 3.539 20 30 GHEDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000611346454 859721563 /nfs/dbraw/zinc/72/15/63/859721563.db2.gz HDGNWFWMPPMUCV-UHFFFAOYSA-N 1 0 391.496 3.887 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000060645306 859723218 /nfs/dbraw/zinc/72/32/18/859723218.db2.gz TXGZSNDWTVGMPA-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000611387062 859732135 /nfs/dbraw/zinc/73/21/35/859732135.db2.gz DSDKVSNUSPKJMC-ZIAGYGMSSA-N 1 0 391.393 3.985 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cn2)C[C@H](C)O1 ZINC000611390808 859734340 /nfs/dbraw/zinc/73/43/40/859734340.db2.gz STUHMACMQUHDAU-HYFFOGBASA-N 1 0 376.504 3.734 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cnc(CC(F)(F)F)s3)CCOCC2)cc1 ZINC000895627566 859739598 /nfs/dbraw/zinc/73/95/98/859739598.db2.gz CINMCAIDOKYCLI-UHFFFAOYSA-N 1 0 381.423 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CCCOc3ccc(C#N)cc3)C2)C1 ZINC000765034988 859741789 /nfs/dbraw/zinc/74/17/89/859741789.db2.gz UKJUNHYDRGOFFZ-QFIPXVFZSA-N 1 0 385.508 3.660 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCCC(F)(F)C3)CC2)c1 ZINC000593404185 859746778 /nfs/dbraw/zinc/74/67/78/859746778.db2.gz XLQBRBRYBQSXDO-GOSISDBHSA-N 1 0 390.478 3.647 20 30 GHEDRO CN(C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602073421 859754525 /nfs/dbraw/zinc/75/45/25/859754525.db2.gz GDOKEFUJSQXZAE-UWJYYQICSA-N 1 0 396.535 3.540 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1Oc1ccccc1C#N)C2 ZINC000597710963 859757537 /nfs/dbraw/zinc/75/75/37/859757537.db2.gz RFOMHNVHHJNBKT-HSZRJFAPSA-N 1 0 375.472 3.908 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(OCc3ccccc3C#N)c1)C2 ZINC000597716659 859760332 /nfs/dbraw/zinc/76/03/32/859760332.db2.gz RIYVKYSJGVUMJD-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000611531872 859798072 /nfs/dbraw/zinc/79/80/72/859798072.db2.gz FTLRJQIVXLEALW-HXUWFJFHSA-N 1 0 394.519 3.875 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CC1 ZINC000499802897 859841712 /nfs/dbraw/zinc/84/17/12/859841712.db2.gz RPSBSTVAZVRMNC-AWEZNQCLSA-N 1 0 392.341 3.556 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000597862305 859877835 /nfs/dbraw/zinc/87/78/35/859877835.db2.gz ZRIWVKWCBWBPOR-QGZVFWFLSA-N 1 0 381.476 3.580 20 30 GHEDRO Cc1cc(F)ccc1N(CC#N)C(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000602395009 859992125 /nfs/dbraw/zinc/99/21/25/859992125.db2.gz YPVOPKAJAJAIHE-HDICACEKSA-N 1 0 395.478 3.914 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c(-c2ccccc2)n1 ZINC000922465613 860032994 /nfs/dbraw/zinc/03/29/94/860032994.db2.gz ZEQIOQWSOPLLHA-IAGOWNOFSA-N 1 0 378.398 3.663 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3(c4cccc(F)c4)CC3)CC2)c1 ZINC000593511527 860074137 /nfs/dbraw/zinc/07/41/37/860074137.db2.gz CLFGSGOCBCSWRM-UHFFFAOYSA-N 1 0 392.478 3.650 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)n2c1 ZINC000123773050 860080583 /nfs/dbraw/zinc/08/05/83/860080583.db2.gz DPEHVVYSBHNVDT-SFHVURJKSA-N 1 0 399.420 3.589 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508932687 860092424 /nfs/dbraw/zinc/09/24/24/860092424.db2.gz UTJCHQHVBYPDSO-MRXNPFEDSA-N 1 0 389.931 3.788 20 30 GHEDRO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000123811182 860092942 /nfs/dbraw/zinc/09/29/42/860092942.db2.gz BNDCFEUTXGQZBZ-JKSUJKDBSA-N 1 0 388.581 3.632 20 30 GHEDRO Cc1ccccc1C1(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593515003 860094730 /nfs/dbraw/zinc/09/47/30/860094730.db2.gz DIFBRCIBLQLIRD-UHFFFAOYSA-N 1 0 388.515 3.820 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000602526132 860097308 /nfs/dbraw/zinc/09/73/08/860097308.db2.gz LVVHORJEJKWLPL-FXAWDEMLSA-N 1 0 376.504 3.689 20 30 GHEDRO Cc1cccc2c1CN(C(=O)NC1CC[NH+](Cc3cccc(C#N)c3)CC1)CC2 ZINC000593514366 860102307 /nfs/dbraw/zinc/10/23/07/860102307.db2.gz VRMBQSRPMPLMAE-UHFFFAOYSA-N 1 0 388.515 3.599 20 30 GHEDRO COc1cc2c(cc1F)ncnc2NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593516041 860108318 /nfs/dbraw/zinc/10/83/18/860108318.db2.gz WLJBJJNKXKLUJN-UHFFFAOYSA-N 1 0 391.450 3.726 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000602560566 860111812 /nfs/dbraw/zinc/11/18/12/860111812.db2.gz YOXWXLCPGDSWDO-DOTOQJQBSA-N 1 0 381.442 3.973 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000602564827 860116429 /nfs/dbraw/zinc/11/64/29/860116429.db2.gz ONXLKKARBGVSPE-HUUCEWRRSA-N 1 0 396.354 3.904 20 30 GHEDRO COc1cc2[nH]c(CCC[NH2+][C@@H](C)CC3(C#N)CCOCC3)cc2c(OC)c1 ZINC000602568348 860118680 /nfs/dbraw/zinc/11/86/80/860118680.db2.gz KJGOOPGBYTVRAQ-INIZCTEOSA-N 1 0 385.508 3.806 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000602571152 860121927 /nfs/dbraw/zinc/12/19/27/860121927.db2.gz YFSLBJPTUUIQHV-HZPDHXFCSA-N 1 0 384.442 3.545 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC000598195740 860123520 /nfs/dbraw/zinc/12/35/20/860123520.db2.gz RGHKITNKYUOYNS-PKTZIBPZSA-N 1 0 375.516 3.534 20 30 GHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000602591301 860132066 /nfs/dbraw/zinc/13/20/66/860132066.db2.gz YOWRGBIYWMRZGA-XOBRGWDASA-N 1 0 392.471 3.987 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1C(C)C ZINC000593516927 860134241 /nfs/dbraw/zinc/13/42/41/860134241.db2.gz QGJQIUAMNJLZPC-YADHBBJMSA-N 1 0 382.552 3.845 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508943947 860197149 /nfs/dbraw/zinc/19/71/49/860197149.db2.gz ALWADSWVGPLHHO-FQEVSTJZSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1OC ZINC000727734129 860207826 /nfs/dbraw/zinc/20/78/26/860207826.db2.gz HJBVAEAXMVHUDH-ZZLBYYGFSA-N 1 0 384.520 3.750 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602697206 860209606 /nfs/dbraw/zinc/20/96/06/860209606.db2.gz VVUZPTODOIUXEO-QGZVFWFLSA-N 1 0 382.265 3.531 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000484648302 860221187 /nfs/dbraw/zinc/22/11/87/860221187.db2.gz ZZDYDHDBORALMH-XKCSPQBFSA-N 1 0 380.488 3.586 20 30 GHEDRO COc1ccc(-c2nc3c(s2)C(=NNCC[NH+]2CCCCC2)CCC3)cc1 ZINC000727778892 860221301 /nfs/dbraw/zinc/22/13/01/860221301.db2.gz SHCMMUAFMIZAFJ-UHFFFAOYSA-N 1 0 384.549 3.935 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(I)cc1 ZINC000602716810 860229196 /nfs/dbraw/zinc/22/91/96/860229196.db2.gz FCUULWHWPPGBMY-AWEZNQCLSA-N 1 0 398.288 3.522 20 30 GHEDRO C=CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)CC1CCCCC1 ZINC000484695374 860260438 /nfs/dbraw/zinc/26/04/38/860260438.db2.gz SXPCSKMZMNGPAD-UHFFFAOYSA-N 1 0 384.564 3.919 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864847 860320108 /nfs/dbraw/zinc/32/01/08/860320108.db2.gz QUZNJLDUDZGBRY-HSALFYBXSA-N 1 0 390.531 3.523 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[C@H]2C1 ZINC000329255863 860321652 /nfs/dbraw/zinc/32/16/52/860321652.db2.gz XHTXLFMPLBIPIA-UZLBHIALSA-N 1 0 376.460 3.908 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602873152 860330099 /nfs/dbraw/zinc/33/00/99/860330099.db2.gz HCYRWKCJTMXEGO-QFBILLFUSA-N 1 0 388.581 3.681 20 30 GHEDRO Cc1c([N-][NH+]=Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000727973499 860346317 /nfs/dbraw/zinc/34/63/17/860346317.db2.gz OEYOCDBAFGRCPM-UHFFFAOYSA-N 1 0 387.871 3.754 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cc(OC3CCOCC3)ncn2)CC1 ZINC001170372048 881533142 /nfs/dbraw/zinc/53/31/42/881533142.db2.gz VEXJHBQTWWDMSO-UHFFFAOYSA-N 1 0 392.503 3.528 20 30 GHEDRO C[N@@H+](Cc1ccccc1OCc1ccccc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000602959506 860382280 /nfs/dbraw/zinc/38/22/80/860382280.db2.gz PDSBVSKFVPRDOP-QFIPXVFZSA-N 1 0 394.515 3.769 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508994433 860473930 /nfs/dbraw/zinc/47/39/30/860473930.db2.gz HJILJFUBKGCGPX-LJQANCHMSA-N 1 0 392.551 3.635 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)C(F)(F)F)c1 ZINC000904536386 860500690 /nfs/dbraw/zinc/50/06/90/860500690.db2.gz CPUMVHDHPAOZHN-IAGOWNOFSA-N 1 0 394.441 3.855 20 30 GHEDRO COc1cccc([C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c2cc(F)ccc2OC)c1 ZINC000598720368 860527832 /nfs/dbraw/zinc/52/78/32/860527832.db2.gz OLGSQPGGJZYKII-LAUBAEHRSA-N 1 0 386.467 3.823 20 30 GHEDRO COc1ccc2ccccc2c1-c1cc(C[NH2+]C[C@H](O)CC(C)(C)C#N)on1 ZINC000598723193 860529516 /nfs/dbraw/zinc/52/95/16/860529516.db2.gz FNNCIOGNDMOUEV-MRXNPFEDSA-N 1 0 379.460 3.894 20 30 GHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624971296 860553896 /nfs/dbraw/zinc/55/38/96/860553896.db2.gz IZGDVESNOSVHRS-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO CN1c2cc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)ccc2OCC1=O ZINC001170377146 881552442 /nfs/dbraw/zinc/55/24/42/881552442.db2.gz WDBIEUVVYJUEKR-UHFFFAOYSA-N 1 0 375.472 3.536 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)CC1 ZINC001170378438 881553582 /nfs/dbraw/zinc/55/35/82/881553582.db2.gz BAEGWCFZRBDYBI-OADZCNSWSA-N 1 0 389.543 3.569 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[NH+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170378739 881554137 /nfs/dbraw/zinc/55/41/37/881554137.db2.gz JUVKXLVCRXYZSM-UHFFFAOYSA-N 1 0 381.520 3.943 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000428990163 860616141 /nfs/dbraw/zinc/61/61/41/860616141.db2.gz FJXUHYFQGVIOMG-SFHVURJKSA-N 1 0 393.256 3.552 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1 ZINC000922808162 860632042 /nfs/dbraw/zinc/63/20/42/860632042.db2.gz HQRDDNLWGFVRCT-QHCPKHFHSA-N 1 0 392.499 3.955 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)c1cccc(OC)c1 ZINC000125303972 860634589 /nfs/dbraw/zinc/63/45/89/860634589.db2.gz XJQOOLKWOMUWLT-NRFANRHFSA-N 1 0 380.492 3.966 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)[NH+]2CCCC2)c1 ZINC000125315265 860637166 /nfs/dbraw/zinc/63/71/66/860637166.db2.gz YUPFREWNJTYDJD-NRFANRHFSA-N 1 0 378.476 3.720 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cnc(-c4ccncc4)s3)CC2)c1 ZINC000593692783 860859661 /nfs/dbraw/zinc/85/96/61/860859661.db2.gz KEVSHXWTBPJIEV-UHFFFAOYSA-N 1 0 389.528 3.831 20 30 GHEDRO Cc1ccccc1-n1nccc1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692335 860884273 /nfs/dbraw/zinc/88/42/73/860884273.db2.gz BUSGBXVDJRLRQM-UHFFFAOYSA-N 1 0 385.515 3.807 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000599183493 860885514 /nfs/dbraw/zinc/88/55/14/860885514.db2.gz PUIGQRVJRZZBDD-UHFFFAOYSA-N 1 0 384.911 3.841 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CN=Cc3cc4ccccc4[nH]c3=O)cc2F)CC1 ZINC000730147196 860898633 /nfs/dbraw/zinc/89/86/33/860898633.db2.gz MOHXGFCJGQUYAD-PCLIKHOPSA-N 1 0 392.478 3.841 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000429060847 860905303 /nfs/dbraw/zinc/90/53/03/860905303.db2.gz FFAHUPPEVBOHEO-LPHOPBHVSA-N 1 0 378.476 3.599 20 30 GHEDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701529 860924491 /nfs/dbraw/zinc/92/44/91/860924491.db2.gz DVTOVXJAYRRDKK-LJQANCHMSA-N 1 0 390.531 3.554 20 30 GHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cccc21 ZINC000557036962 881596960 /nfs/dbraw/zinc/59/69/60/881596960.db2.gz DRDXQXZLUAGJIO-IBGZPJMESA-N 1 0 379.435 3.753 20 30 GHEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000329015612 860948355 /nfs/dbraw/zinc/94/83/55/860948355.db2.gz JYHVECRVWGOUTH-FQEVSTJZSA-N 1 0 383.536 3.646 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2-n2cccn2)c1 ZINC000170908864 860967389 /nfs/dbraw/zinc/96/73/89/860967389.db2.gz REMIDXSEMMKCDJ-UHFFFAOYSA-N 1 0 379.464 3.597 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000170913342 860978003 /nfs/dbraw/zinc/97/80/03/860978003.db2.gz MRINOOPDLBSXLA-UHFFFAOYSA-N 1 0 380.423 3.626 20 30 GHEDRO CC(C)C[C@@H](C)Oc1cc(CNC(=O)N2CCCC23CC[NH+](C)CC3)ccn1 ZINC000329063428 860986436 /nfs/dbraw/zinc/98/64/36/860986436.db2.gz KFBMCSDLVWLJSB-GOSISDBHSA-N 1 0 388.556 3.869 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](CCc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000599256101 860987954 /nfs/dbraw/zinc/98/79/54/860987954.db2.gz RUADKUZKLHEMPM-HSZRJFAPSA-N 1 0 378.516 3.803 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000120485832 881601277 /nfs/dbraw/zinc/60/12/77/881601277.db2.gz OPJOWSZHCWUKSK-INIZCTEOSA-N 1 0 375.538 3.625 20 30 GHEDRO C[C@@H](c1ccccc1Br)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599272173 861020403 /nfs/dbraw/zinc/02/04/03/861020403.db2.gz LMCPVMORXYCDPS-LSDHHAIUSA-N 1 0 381.314 3.513 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000185577151 861022913 /nfs/dbraw/zinc/02/29/13/861022913.db2.gz CDXPJDSKCMNIGD-UHFFFAOYSA-O 1 0 390.532 3.829 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCCCSC)cc1 ZINC000185579688 861024064 /nfs/dbraw/zinc/02/40/64/861024064.db2.gz CUSWAGJQCHVEAH-UHFFFAOYSA-O 1 0 398.577 3.690 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000329111767 861029644 /nfs/dbraw/zinc/02/96/44/861029644.db2.gz KETDZWOSSZSRNE-OAQYLSRUSA-N 1 0 395.551 3.853 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599330794 861068903 /nfs/dbraw/zinc/06/89/03/861068903.db2.gz OWMIMOFJYGWYIP-GHTZIAJQSA-N 1 0 396.535 3.825 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000185623187 861082365 /nfs/dbraw/zinc/08/23/65/861082365.db2.gz SRPDKTOVQXRWQL-GFCCVEGCSA-N 1 0 393.413 3.613 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)cc1C#N)c1cccc(OC)c1 ZINC000097036805 861095231 /nfs/dbraw/zinc/09/52/31/861095231.db2.gz QJBKOZYZRSKZOI-HXUWFJFHSA-N 1 0 384.455 3.911 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000185651966 861117111 /nfs/dbraw/zinc/11/71/11/861117111.db2.gz SLYPDMFXBFSCJG-DGCLKSJQSA-N 1 0 393.413 3.612 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000329201620 861137489 /nfs/dbraw/zinc/13/74/89/861137489.db2.gz VRJIKHDWBSLSRY-OAQYLSRUSA-N 1 0 395.551 3.730 20 30 GHEDRO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537628825 881617867 /nfs/dbraw/zinc/61/78/67/881617867.db2.gz DOWJJDXBERDOPF-QGZVFWFLSA-N 1 0 393.491 3.737 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC000623530343 861162490 /nfs/dbraw/zinc/16/24/90/861162490.db2.gz UPGLOKLSROBYCZ-WBMJQRKESA-N 1 0 379.806 3.849 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)C2)C1 ZINC000329239107 861183524 /nfs/dbraw/zinc/18/35/24/861183524.db2.gz QBVXIGKQLCNQFO-OBFZPWGMSA-N 1 0 375.557 3.636 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)nc1 ZINC000522711353 863122106 /nfs/dbraw/zinc/12/21/06/863122106.db2.gz WTQRTRRVVCPYLF-IWQZZHSRSA-N 1 0 397.320 3.941 20 30 GHEDRO CCCc1c(NC(=O)NC[C@H](C)C[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439669543 863164708 /nfs/dbraw/zinc/16/47/08/863164708.db2.gz CRLJUGIXCULJFS-KRWDZBQOSA-N 1 0 394.523 3.550 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(O[C@H](C#N)CC)c1 ZINC000733802878 863171688 /nfs/dbraw/zinc/17/16/88/863171688.db2.gz QWGBHNJVDPOMCS-PMACEKPBSA-N 1 0 386.540 3.821 20 30 GHEDRO CNc1ccc(Cl)c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593900704 863221537 /nfs/dbraw/zinc/22/15/37/863221537.db2.gz RWFOWLYZRWQHRN-UHFFFAOYSA-N 1 0 382.895 3.648 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160080815 863301321 /nfs/dbraw/zinc/30/13/21/863301321.db2.gz MHSVEDVLSQTYEE-HXUWFJFHSA-N 1 0 380.467 3.503 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C1)CCCC2 ZINC000281890944 863451417 /nfs/dbraw/zinc/45/14/17/863451417.db2.gz PGRJFLHDUJNWNH-LJQANCHMSA-N 1 0 376.504 3.959 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000183142190 863484313 /nfs/dbraw/zinc/48/43/13/863484313.db2.gz OMLQMHJSHSJJSK-KRWDZBQOSA-N 1 0 379.508 3.516 20 30 GHEDRO CCC[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC001127532890 881668143 /nfs/dbraw/zinc/66/81/43/881668143.db2.gz YZMDYLMHIUVENW-GOSISDBHSA-N 1 0 382.895 3.733 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000598266705 881672385 /nfs/dbraw/zinc/67/23/85/881672385.db2.gz ZZCOVRVTBSYORK-QGZVFWFLSA-N 1 0 381.476 3.580 20 30 GHEDRO CC[C@@H](Oc1cccc(C)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000487461333 863618577 /nfs/dbraw/zinc/61/85/77/863618577.db2.gz AIYNLXKIMIWPSW-JOCHJYFZSA-N 1 0 379.504 3.615 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000606468871 863650072 /nfs/dbraw/zinc/65/00/72/863650072.db2.gz IFZWLNIJJLYZBX-RBBKRZOGSA-N 1 0 397.490 3.889 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593986711 863668212 /nfs/dbraw/zinc/66/82/12/863668212.db2.gz IFTSTMATWKMFRF-WMZHIEFXSA-N 1 0 375.516 3.717 20 30 GHEDRO Cc1c(NC(=O)CC[NH2+]C2(c3ccc(C#N)cc3)CCC2)cccc1[N+](=O)[O-] ZINC000594033096 863802933 /nfs/dbraw/zinc/80/29/33/863802933.db2.gz HVPPNTFNOWRQHS-UHFFFAOYSA-N 1 0 378.432 3.773 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@H]3CN(Cc4ccccc4)CCCO3)CCC2)cc1 ZINC000594033587 863835539 /nfs/dbraw/zinc/83/55/39/863835539.db2.gz UVFWSETZRPTVHM-QHCPKHFHSA-N 1 0 375.516 3.818 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000554284015 864042662 /nfs/dbraw/zinc/04/26/62/864042662.db2.gz FXKYEIRQBRBWDP-QGZVFWFLSA-N 1 0 378.259 3.517 20 30 GHEDRO N#CCOc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000734276742 864114118 /nfs/dbraw/zinc/11/41/18/864114118.db2.gz REXGQERQDCXSHV-QFIPXVFZSA-N 1 0 392.503 3.615 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000494443778 881730787 /nfs/dbraw/zinc/73/07/87/881730787.db2.gz CDVSDCPQOQJNCE-NZQKXSOJSA-N 1 0 378.472 3.803 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[NH+]1CCCCC1 ZINC000734428446 864215353 /nfs/dbraw/zinc/21/53/53/864215353.db2.gz KLERHGMIZLRYDW-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000734845619 864472271 /nfs/dbraw/zinc/47/22/71/864472271.db2.gz WUEWHGSFCOHKGC-KUHUBIRLSA-N 1 0 378.394 3.994 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734844143 864472401 /nfs/dbraw/zinc/47/24/01/864472401.db2.gz VWDPOGWXUFWYBP-UXHICEINSA-N 1 0 377.406 3.713 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000734845618 864472798 /nfs/dbraw/zinc/47/27/98/864472798.db2.gz WUEWHGSFCOHKGC-IFXJQAMLSA-N 1 0 378.394 3.994 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000042062506 864520867 /nfs/dbraw/zinc/52/08/67/864520867.db2.gz QBSIPTMYPNCDSW-UHFFFAOYSA-N 1 0 378.394 3.922 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000554558373 864545483 /nfs/dbraw/zinc/54/54/83/864545483.db2.gz RZXZMRPIOYCJKN-OAQYLSRUSA-N 1 0 377.488 3.697 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000475256337 864638812 /nfs/dbraw/zinc/63/88/12/864638812.db2.gz AKSKTBBCGWFYNV-GOSISDBHSA-N 1 0 385.552 3.667 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000475264049 864660272 /nfs/dbraw/zinc/66/02/72/864660272.db2.gz DTJDIHBPIMHHKM-UHFFFAOYSA-N 1 0 385.552 3.715 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494491035 881790365 /nfs/dbraw/zinc/79/03/65/881790365.db2.gz DQAHYIOKUXEEFV-URVUXULASA-N 1 0 387.907 3.928 20 30 GHEDRO CCOCCC[N@@H+]1CCC(N=Nc2ncnc3c4ccccc4oc32)[C@@H](C)C1 ZINC000735227787 864671344 /nfs/dbraw/zinc/67/13/44/864671344.db2.gz ZEMMJGMADROSKW-HNNXBMFYSA-N 1 0 381.480 3.912 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000608061545 864953775 /nfs/dbraw/zinc/95/37/75/864953775.db2.gz YEJMJYVLJWMJDF-GDBMZVCRSA-N 1 0 397.357 3.985 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1C#N ZINC000567467847 865051833 /nfs/dbraw/zinc/05/18/33/865051833.db2.gz SGEQVXPYFMPTBM-GHTZIAJQSA-N 1 0 398.551 3.921 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cccc(CC#N)c2)[NH+]2CCCC2)cc1 ZINC000455955389 865177384 /nfs/dbraw/zinc/17/73/84/865177384.db2.gz WVSCDDLLCOIYRF-NRFANRHFSA-N 1 0 378.476 3.720 20 30 GHEDRO C=CCn1c(-c2ccccc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000554927125 865185819 /nfs/dbraw/zinc/18/58/19/865185819.db2.gz ZPUPZWIHFJXXDT-UHFFFAOYSA-N 1 0 398.514 3.715 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000063692830 865202189 /nfs/dbraw/zinc/20/21/89/865202189.db2.gz GWIASGVNNPUJCE-QGZVFWFLSA-N 1 0 381.476 3.580 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)CC1 ZINC000171716423 865342557 /nfs/dbraw/zinc/34/25/57/865342557.db2.gz VWGJXUPCTPZVPK-UHFFFAOYSA-N 1 0 385.533 3.978 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)c(OCCC)c(OCC)c2)CC1 ZINC000171727561 865346006 /nfs/dbraw/zinc/34/60/06/865346006.db2.gz SPYUSQWMYZEGOV-UHFFFAOYSA-N 1 0 380.916 3.908 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000738105767 865491539 /nfs/dbraw/zinc/49/15/39/865491539.db2.gz CSKLHLCCVDKVCL-TZIWHRDSSA-N 1 0 377.536 3.966 20 30 GHEDRO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000480917669 865506658 /nfs/dbraw/zinc/50/66/58/865506658.db2.gz ZGCGJGAFNGLPRL-ZWKOTPCHSA-N 1 0 389.565 3.938 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000301901186 865596915 /nfs/dbraw/zinc/59/69/15/865596915.db2.gz ZWAVHSRYZIFLOA-HDICACEKSA-N 1 0 395.551 3.696 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2SCc2c(C)noc2C)CC1 ZINC000740737089 865975251 /nfs/dbraw/zinc/97/52/51/865975251.db2.gz AZPISQOWMWIQMJ-UHFFFAOYSA-N 1 0 397.544 3.801 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000740737755 865976626 /nfs/dbraw/zinc/97/66/26/865976626.db2.gz VPQIDZGYIYQVSP-UHFFFAOYSA-N 1 0 384.483 3.514 20 30 GHEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000740886925 866078714 /nfs/dbraw/zinc/07/87/14/866078714.db2.gz HCGOKSWCHRUKBM-FUHWJXTLSA-N 1 0 380.492 3.802 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000741068397 866214214 /nfs/dbraw/zinc/21/42/14/866214214.db2.gz WDQIWCNASLYTSW-LJQANCHMSA-N 1 0 377.488 3.827 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000049973698 881954952 /nfs/dbraw/zinc/95/49/52/881954952.db2.gz MZODIZOMSOULSI-UHFFFAOYSA-N 1 0 379.529 3.817 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000183152742 866254922 /nfs/dbraw/zinc/25/49/22/866254922.db2.gz MPQMCBGHMXUTEB-CQSZACIVSA-N 1 0 393.878 3.995 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](CCC)CC1 ZINC000508825911 866306553 /nfs/dbraw/zinc/30/65/53/866306553.db2.gz LXAFFYULYRQFBG-SFHVURJKSA-N 1 0 399.539 3.535 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000303867842 866378283 /nfs/dbraw/zinc/37/82/83/866378283.db2.gz DAMHKEPVMRMXOS-UHFFFAOYSA-N 1 0 394.563 3.947 20 30 GHEDRO N#Cc1c(COC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cn2ccccc12 ZINC000741327402 866409143 /nfs/dbraw/zinc/40/91/43/866409143.db2.gz HGYIPLNEAUCNNJ-GOSISDBHSA-N 1 0 391.446 3.905 20 30 GHEDRO Cc1csc(CCCCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000303971718 866428397 /nfs/dbraw/zinc/42/83/97/866428397.db2.gz DWPYQGVWEUGGCB-UHFFFAOYSA-N 1 0 391.972 3.565 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc4c3OCCCO4)CC2)c1 ZINC000534347986 866594832 /nfs/dbraw/zinc/59/48/32/866594832.db2.gz HOQKILYAQTZMSV-UHFFFAOYSA-N 1 0 391.471 3.570 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000741551268 866613962 /nfs/dbraw/zinc/61/39/62/866613962.db2.gz WUQNNHSATOSYBB-UHFFFAOYSA-N 1 0 380.513 3.542 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000305657984 866615813 /nfs/dbraw/zinc/61/58/13/866615813.db2.gz GAVRZOLJLOISAN-KRWDZBQOSA-N 1 0 395.862 3.737 20 30 GHEDRO C=CCNC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000112558456 866733065 /nfs/dbraw/zinc/73/30/65/866733065.db2.gz KVGPKLLIHKHTIN-SEJPIABJSA-N 1 0 376.504 3.605 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000115566319 866782311 /nfs/dbraw/zinc/78/23/11/866782311.db2.gz SRQPCIHWKGNEKX-UHFFFAOYSA-N 1 0 396.579 3.746 20 30 GHEDRO COCC[C@H](c1ccccc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000534541292 866976174 /nfs/dbraw/zinc/97/61/74/866976174.db2.gz JVVAYJQJLGIJMX-LJQANCHMSA-N 1 0 392.459 3.706 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000793206423 882032582 /nfs/dbraw/zinc/03/25/82/882032582.db2.gz HXRHDCHZZKDVKH-UHFFFAOYSA-N 1 0 376.298 3.618 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](O)COc1ccccc1 ZINC000444818599 867294461 /nfs/dbraw/zinc/29/44/61/867294461.db2.gz SCKAKMGPFVSXAW-SFHVURJKSA-N 1 0 390.430 3.810 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000533948039 867295468 /nfs/dbraw/zinc/29/54/68/867295468.db2.gz MXNUECDKPHTORV-ACESQOTJSA-N 1 0 388.515 3.913 20 30 GHEDRO Cc1cccc(C)c1OCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479217046 867370329 /nfs/dbraw/zinc/37/03/29/867370329.db2.gz OKQFFBAOIFUIBX-UHFFFAOYSA-N 1 0 391.515 3.747 20 30 GHEDRO Cc1csc([C@@H]2CCC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000245520120 867433634 /nfs/dbraw/zinc/43/36/34/867433634.db2.gz JIXMGFRZFXSXMI-MJGOQNOKSA-N 1 0 380.517 3.698 20 30 GHEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000523600736 867631771 /nfs/dbraw/zinc/63/17/71/867631771.db2.gz CKFGNHITUTYJTF-KHQYNDFOSA-N 1 0 398.551 3.668 20 30 GHEDRO COc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)ccc1C#N ZINC000440642431 867682111 /nfs/dbraw/zinc/68/21/11/867682111.db2.gz YDIWQBCZMMCXLI-JOCHJYFZSA-N 1 0 385.467 3.906 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000171060307 882110811 /nfs/dbraw/zinc/11/08/11/882110811.db2.gz CACPGQINIZPBBL-SFHVURJKSA-N 1 0 396.466 3.754 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC000743044848 867777914 /nfs/dbraw/zinc/77/79/14/867777914.db2.gz RZNUNIQJBXDDOJ-BOAFSNAZSA-N 1 0 391.515 3.814 20 30 GHEDRO C=C[C@@](C)(O)CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193745 867795182 /nfs/dbraw/zinc/79/51/82/867795182.db2.gz IUOGRGNSNXUAQX-LADGPHEKSA-N 1 0 384.564 3.997 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000743070461 867821227 /nfs/dbraw/zinc/82/12/27/867821227.db2.gz LBSWEGDSAGEPIO-INIZCTEOSA-N 1 0 377.558 3.919 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000021406069 867826797 /nfs/dbraw/zinc/82/67/97/867826797.db2.gz HHDOMRJVPQFINS-HXUWFJFHSA-N 1 0 390.531 3.710 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cccc21 ZINC000857237022 882132602 /nfs/dbraw/zinc/13/26/02/882132602.db2.gz NOYVUXMWCBDXGK-KRWDZBQOSA-N 1 0 387.524 3.765 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC[C@@H](O)CC(C)(C)C#N)cc2Cl)CC1 ZINC000857238230 882133893 /nfs/dbraw/zinc/13/38/93/882133893.db2.gz IBEPNKLSNYFRJR-KRWDZBQOSA-N 1 0 378.948 3.585 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000523768942 867935354 /nfs/dbraw/zinc/93/53/54/867935354.db2.gz BVRXEAVSIZUMGR-NQIIRXRSSA-N 1 0 391.531 3.660 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000743198129 867947139 /nfs/dbraw/zinc/94/71/39/867947139.db2.gz LWTVUCUUQWGFFB-GOSISDBHSA-N 1 0 395.478 3.966 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000743199530 867950345 /nfs/dbraw/zinc/95/03/45/867950345.db2.gz GIFFFMDJALBAIF-IBGZPJMESA-N 1 0 381.451 3.624 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000743201301 867953954 /nfs/dbraw/zinc/95/39/54/867953954.db2.gz MVZSYFBLGIDZGO-UHFFFAOYSA-N 1 0 381.451 3.578 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508843453 868100701 /nfs/dbraw/zinc/10/07/01/868100701.db2.gz CUUIJBHAZQYVMH-FQEVSTJZSA-N 1 0 395.551 3.725 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)CC1 ZINC000743493553 868238880 /nfs/dbraw/zinc/23/88/80/868238880.db2.gz YYHOOXCWCBYWJC-UHFFFAOYSA-N 1 0 385.508 3.560 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508844687 868284001 /nfs/dbraw/zinc/28/40/01/868284001.db2.gz KDTPGBCTCUNANS-GOSISDBHSA-N 1 0 390.535 3.687 20 30 GHEDRO N#CCCC[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000457456195 868293508 /nfs/dbraw/zinc/29/35/08/868293508.db2.gz WAGIBROBEMJOBH-OAQYLSRUSA-N 1 0 398.551 3.756 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000479730420 868405973 /nfs/dbraw/zinc/40/59/73/868405973.db2.gz PUHBRPSQJIQZIV-QFIPXVFZSA-N 1 0 394.519 3.813 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3(O)Cc4ccccc4C3)c2)c1 ZINC000524114848 868556759 /nfs/dbraw/zinc/55/67/59/868556759.db2.gz QESCTBNWWFFPTC-UHFFFAOYSA-N 1 0 384.479 3.757 20 30 GHEDRO CCOc1c(Cl)cccc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000190473816 882202146 /nfs/dbraw/zinc/20/21/46/882202146.db2.gz TUPCCZOPDXHPTI-UHFFFAOYSA-N 1 0 399.922 3.743 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508846141 868570690 /nfs/dbraw/zinc/57/06/90/868570690.db2.gz FOCROBALCFHTNR-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000157151097 868572802 /nfs/dbraw/zinc/57/28/02/868572802.db2.gz MYAHXHYMASTWLQ-OAQYLSRUSA-N 1 0 382.552 3.500 20 30 GHEDRO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)CCc1ccccc1 ZINC000744211607 868667438 /nfs/dbraw/zinc/66/74/38/868667438.db2.gz XCFLKIPUTZYRET-UHFFFAOYSA-N 1 0 393.531 3.583 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(CC#N)cc2)CC1 ZINC000535409984 868693419 /nfs/dbraw/zinc/69/34/19/868693419.db2.gz AHRAUCIBPBWQBC-QGZVFWFLSA-N 1 0 394.494 3.525 20 30 GHEDRO COc1cc(CNCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)ccc1C#N ZINC000440821371 868760469 /nfs/dbraw/zinc/76/04/69/868760469.db2.gz MVOHBYDBIDKAKI-SFHVURJKSA-N 1 0 379.504 3.556 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)C1CCCCC1 ZINC000744391391 868786660 /nfs/dbraw/zinc/78/66/60/868786660.db2.gz XYMMQUQBWXOBMZ-UHFFFAOYSA-N 1 0 378.900 3.954 20 30 GHEDRO CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1csc(Br)c1 ZINC000144109453 868819124 /nfs/dbraw/zinc/81/91/24/868819124.db2.gz RMLLSVIBZWNYKB-UHFFFAOYSA-N 1 0 384.343 3.627 20 30 GHEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000744411216 868819516 /nfs/dbraw/zinc/81/95/16/868819516.db2.gz LQHVNXDVEGEADG-DENIHFKCSA-N 1 0 386.499 3.997 20 30 GHEDRO CC[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262787482 882230698 /nfs/dbraw/zinc/23/06/98/882230698.db2.gz MXNXSCYUOYQIIH-OAQYLSRUSA-N 1 0 392.613 3.841 20 30 GHEDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000524457087 869077798 /nfs/dbraw/zinc/07/77/98/869077798.db2.gz HGVRUKJYYJOSMJ-SIKLNZKXSA-N 1 0 391.515 3.874 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3nccn3Cc3ccccc3)C2)c(F)c1 ZINC000524458632 869082706 /nfs/dbraw/zinc/08/27/06/869082706.db2.gz XIQMRWBZXNZFDN-FQEVSTJZSA-N 1 0 389.478 3.701 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+]C2(CCO)CCCCC2)sc2c1CCCCC2 ZINC000440914138 869267344 /nfs/dbraw/zinc/26/73/44/869267344.db2.gz ZPEFUSFKCQRZJS-UHFFFAOYSA-N 1 0 389.565 3.892 20 30 GHEDRO N#Cc1cnc2ccccc2c1NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000462369493 869300021 /nfs/dbraw/zinc/30/00/21/869300021.db2.gz MSQXSCNGXSQMSX-UHFFFAOYSA-N 1 0 385.515 3.543 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2C[C@@H]3CCC[C@H]3C2)c1C#N ZINC000152836946 869312971 /nfs/dbraw/zinc/31/29/71/869312971.db2.gz ZLIPWSDIFBFULI-PMACEKPBSA-N 1 0 376.504 3.695 20 30 GHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H](O)c1c(Cl)cccc1Cl ZINC000793584822 882290477 /nfs/dbraw/zinc/29/04/77/882290477.db2.gz SPLVABSLVSFKNX-ADLMAVQZSA-N 1 0 375.259 3.724 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000539607084 869434986 /nfs/dbraw/zinc/43/49/86/869434986.db2.gz YJXDZRNEALKNFI-IUODEOHRSA-N 1 0 393.256 3.550 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000539613609 869446664 /nfs/dbraw/zinc/44/66/64/869446664.db2.gz FBDDTMRXPROGIW-UZLBHIALSA-N 1 0 375.538 3.646 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000462473000 869515991 /nfs/dbraw/zinc/51/59/91/869515991.db2.gz GSTJKKFVRCFODZ-VGOFRKELSA-N 1 0 379.504 3.868 20 30 GHEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccccc1 ZINC000550834716 882310169 /nfs/dbraw/zinc/31/01/69/882310169.db2.gz CTJZLYULPFZBLA-LEWJYISDSA-N 1 0 383.517 3.736 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1csc2ccccc21 ZINC000508858652 869546976 /nfs/dbraw/zinc/54/69/76/869546976.db2.gz USZRTHXRFCIZOP-UHFFFAOYSA-N 1 0 399.541 3.525 20 30 GHEDRO C[N@H+](CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Cc1ccccc1 ZINC000065418249 869669714 /nfs/dbraw/zinc/66/97/14/869669714.db2.gz LRVISUANHTXZNI-UHFFFAOYSA-N 1 0 399.494 3.999 20 30 GHEDRO C=C[C@](C)(CC)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000190997458 882335530 /nfs/dbraw/zinc/33/55/30/882335530.db2.gz MAQGTKTXKBKBMJ-HSZRJFAPSA-N 1 0 378.520 3.945 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000173208965 882340351 /nfs/dbraw/zinc/34/03/51/882340351.db2.gz FXCJCWKOGQRLOK-UHFFFAOYSA-N 1 0 397.519 3.510 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000745975785 869921907 /nfs/dbraw/zinc/92/19/07/869921907.db2.gz LXLLMMSFADWFPX-UHFFFAOYSA-N 1 0 379.504 3.973 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508861210 869950753 /nfs/dbraw/zinc/95/07/53/869950753.db2.gz BWASIBRLDZENTD-KRWDZBQOSA-N 1 0 399.514 3.808 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000525143017 870041474 /nfs/dbraw/zinc/04/14/74/870041474.db2.gz CLZABDRBRRTCQL-FQEVSTJZSA-N 1 0 379.529 3.728 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000462786947 870078204 /nfs/dbraw/zinc/07/82/04/870078204.db2.gz FUZGPRDCFGJVKF-IYBDPMFKSA-N 1 0 381.480 3.607 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1C#N ZINC000538692526 870311759 /nfs/dbraw/zinc/31/17/59/870311759.db2.gz KVCMUVNZMCCPKN-UHFFFAOYSA-N 1 0 398.576 3.937 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000092645280 882410313 /nfs/dbraw/zinc/41/03/13/882410313.db2.gz PPTGBBFJCZSPEQ-UHFFFAOYSA-N 1 0 377.532 3.623 20 30 GHEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC001192616893 870565570 /nfs/dbraw/zinc/56/55/70/870565570.db2.gz OIYHWPCYKSYGGA-NQERJWCQSA-N 1 0 392.886 3.926 20 30 GHEDRO COc1ccccc1N1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000540157053 870645798 /nfs/dbraw/zinc/64/57/98/870645798.db2.gz ZSSZSLHIJHUHAF-VIHQBZHPSA-N 1 0 389.499 3.794 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000538810681 870674453 /nfs/dbraw/zinc/67/44/53/870674453.db2.gz YQAYWQAPZFXGJD-VXKWHMMOSA-N 1 0 380.513 3.844 20 30 GHEDRO CN1c2ccccc2[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1=O ZINC000540181174 870698409 /nfs/dbraw/zinc/69/84/09/870698409.db2.gz NASRKRUBNATEKF-AFMYVXGZSA-N 1 0 375.472 3.946 20 30 GHEDRO Cc1nc2ccccc2n1CCCCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000463078792 870854647 /nfs/dbraw/zinc/85/46/47/870854647.db2.gz TVIIEQKSQPWOLY-UHFFFAOYSA-N 1 0 388.519 3.604 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168831615 870887204 /nfs/dbraw/zinc/88/72/04/870887204.db2.gz WNWJNXONXDWXKE-UWJYYQICSA-N 1 0 398.551 3.510 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000249907592 870926101 /nfs/dbraw/zinc/92/61/01/870926101.db2.gz VFCDJJGCXJJFSY-IEBWSBKVSA-N 1 0 395.478 3.959 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000092965323 882459326 /nfs/dbraw/zinc/45/93/26/882459326.db2.gz LKDJIJDFNPWUQB-MRXNPFEDSA-N 1 0 381.451 3.967 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C)C(C)C ZINC000447069589 870981867 /nfs/dbraw/zinc/98/18/67/870981867.db2.gz SPENPTRNYGUBPD-HXUWFJFHSA-N 1 0 396.539 3.909 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)O[C@H](C)C2 ZINC000181460556 871038275 /nfs/dbraw/zinc/03/82/75/871038275.db2.gz DURTXIURUXWEQZ-QGZVFWFLSA-N 1 0 391.515 3.644 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000766570371 871111848 /nfs/dbraw/zinc/11/18/48/871111848.db2.gz GDUMVTRZFDAJMB-MOPGFXCFSA-N 1 0 394.515 3.893 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000191485324 882486559 /nfs/dbraw/zinc/48/65/59/882486559.db2.gz BGEFOYYQDQWBJU-OAQYLSRUSA-N 1 0 386.584 3.932 20 30 GHEDRO CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000461903468 871208625 /nfs/dbraw/zinc/20/86/25/871208625.db2.gz ULDBCDCISZREKA-FDDCHVKYSA-N 1 0 375.516 3.861 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nc(CN3CCCCC3)cs2)cc1 ZINC000609112517 871208718 /nfs/dbraw/zinc/20/87/18/871208718.db2.gz FLEWYDYOHHFTBE-IBGZPJMESA-N 1 0 395.532 3.608 20 30 GHEDRO N#CC(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000191511567 882497953 /nfs/dbraw/zinc/49/79/53/882497953.db2.gz QFIUWLIJRLPAGV-JOCHJYFZSA-N 1 0 389.543 3.540 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@H](COCc2ccccc2)c2ccccc2)CCCCC1 ZINC000540459522 871317363 /nfs/dbraw/zinc/31/73/63/871317363.db2.gz MNNLSTJUCGDGML-JOCHJYFZSA-N 1 0 391.515 3.877 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CCC[C@H](C#N)C3)c2)cc1 ZINC000463293605 871350358 /nfs/dbraw/zinc/35/03/58/871350358.db2.gz LCBGENAHUNNQJD-PKOBYXMFSA-N 1 0 393.487 3.998 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000540471073 871382275 /nfs/dbraw/zinc/38/22/75/871382275.db2.gz BHZKDEXHGZKDEU-LEWJYISDSA-N 1 0 391.515 3.773 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)[C@H]1OC ZINC001194093644 871501040 /nfs/dbraw/zinc/50/10/40/871501040.db2.gz VWDSKZKWAWFRSB-MJXNMMHHSA-N 1 0 377.916 3.970 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(N2CCCC2)c1 ZINC000447388290 871518112 /nfs/dbraw/zinc/51/81/12/871518112.db2.gz WPRVKTIIBGNLGJ-KXBFYZLASA-N 1 0 380.517 3.676 20 30 GHEDRO CCc1noc(C2CCC([NH2+]C3CCC(Oc4ncccc4C#N)CC3)CC2)n1 ZINC000525859265 871588875 /nfs/dbraw/zinc/58/88/75/871588875.db2.gz HHAYXZJGUXQJLD-UHFFFAOYSA-N 1 0 395.507 3.905 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cccc(C#N)c2F)CC1 ZINC000539315385 871675831 /nfs/dbraw/zinc/67/58/31/871675831.db2.gz UZSGXQKUQMNBTI-INIZCTEOSA-N 1 0 384.474 3.829 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC001194444446 871724536 /nfs/dbraw/zinc/72/45/36/871724536.db2.gz BOCXWMXBJHYXHU-HLAWJBBLSA-N 1 0 383.536 3.876 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000447514017 871776840 /nfs/dbraw/zinc/77/68/40/871776840.db2.gz AKQDJBJKCAGPGV-JOCHJYFZSA-N 1 0 397.544 3.974 20 30 GHEDRO N#CCSCCC[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001194781891 871928396 /nfs/dbraw/zinc/92/83/96/871928396.db2.gz JZHQMCBVSSFJMR-WBVHZDCISA-N 1 0 383.355 3.841 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463514683 871959940 /nfs/dbraw/zinc/95/99/40/871959940.db2.gz DNOMGWPLTMQBCT-UHFFFAOYSA-N 1 0 380.488 3.786 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)c2)CC1 ZINC000618765617 871963094 /nfs/dbraw/zinc/96/30/94/871963094.db2.gz UAQDAMSPANDDNM-QFIPXVFZSA-N 1 0 389.503 3.509 20 30 GHEDRO O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1ccc(C#CBr)cc1 ZINC001194826854 871975225 /nfs/dbraw/zinc/97/52/25/871975225.db2.gz CBVCOXLVMZACBD-IBGZPJMESA-N 1 0 389.337 3.775 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000526047961 871993196 /nfs/dbraw/zinc/99/31/96/871993196.db2.gz BDAVLGCLYCAPMS-TZMCWYRMSA-N 1 0 386.496 3.859 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000618797410 872004816 /nfs/dbraw/zinc/00/48/16/872004816.db2.gz XZBOWAOCWXJUBZ-VXKWHMMOSA-N 1 0 376.504 3.710 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CCCCCC1 ZINC000429722610 872013675 /nfs/dbraw/zinc/01/36/75/872013675.db2.gz LPMXLHCYXLULDK-UHFFFAOYSA-N 1 0 393.535 3.848 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000618804889 872014951 /nfs/dbraw/zinc/01/49/51/872014951.db2.gz MWSLTAMMUQTXDB-SFTDATJTSA-N 1 0 377.488 3.753 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+]2CCCC2)o1 ZINC000618810845 872017861 /nfs/dbraw/zinc/01/78/61/872017861.db2.gz KDAVEAOSLPQYIN-VQTJNVASSA-N 1 0 378.476 3.583 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000477858970 872032086 /nfs/dbraw/zinc/03/20/86/872032086.db2.gz LDTAIPBLZINZKF-LEWJYISDSA-N 1 0 383.536 3.830 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000618843454 872054831 /nfs/dbraw/zinc/05/48/31/872054831.db2.gz XJFBVPBWLHNUIG-KNQAVFIVSA-N 1 0 380.536 3.843 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NCC(F)(F)F)cc1 ZINC000101535100 872071896 /nfs/dbraw/zinc/07/18/96/872071896.db2.gz IXQQVXYWEBSCCK-UHFFFAOYSA-O 1 0 389.369 3.651 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000766941033 872102065 /nfs/dbraw/zinc/10/20/65/872102065.db2.gz TXCSPANQWPUUSQ-HXUWFJFHSA-N 1 0 395.450 3.943 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)cc1 ZINC001195123623 872184589 /nfs/dbraw/zinc/18/45/89/872184589.db2.gz VTWWSWCNHNDXII-ICSRJNTNSA-N 1 0 397.544 3.835 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418340878 882588332 /nfs/dbraw/zinc/58/83/32/882588332.db2.gz CUIWHOFENOAHHE-NRFANRHFSA-N 1 0 385.508 3.683 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3nc(Cl)c(C#N)s3)CC2)c1 ZINC000804347028 872212285 /nfs/dbraw/zinc/21/22/85/872212285.db2.gz CAFSVFUWIWHGHE-UHFFFAOYSA-N 1 0 389.956 3.991 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1O ZINC000767101370 872240602 /nfs/dbraw/zinc/24/06/02/872240602.db2.gz GJBHBXRHEKTZQT-UHFFFAOYSA-N 1 0 396.560 3.553 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)CC1 ZINC000463666382 872289932 /nfs/dbraw/zinc/28/99/32/872289932.db2.gz VDQUIQBIWXRAHD-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cccc21 ZINC000619146966 872350763 /nfs/dbraw/zinc/35/07/63/872350763.db2.gz FQDCADNRSZCDKW-LEWJYISDSA-N 1 0 390.487 3.551 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2cccc(OC)c2)[n+]2ccc(C)cc2)cn1 ZINC000101900333 872353948 /nfs/dbraw/zinc/35/39/48/872353948.db2.gz KPRVUDDYYVGDPX-UHFFFAOYSA-O 1 0 395.508 3.558 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC001195462789 872405795 /nfs/dbraw/zinc/40/57/95/872405795.db2.gz CJZMCFITHDQJJM-MOPGFXCFSA-N 1 0 378.516 3.931 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](COCC)C2)cc1OC ZINC000093839064 872445453 /nfs/dbraw/zinc/44/54/53/872445453.db2.gz NYXQVRIVURZEDY-CQSZACIVSA-N 1 0 384.314 3.881 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000741791591 872606226 /nfs/dbraw/zinc/60/62/26/872606226.db2.gz SIYOAVLRUZQMLY-FQEVSTJZSA-N 1 0 386.467 3.776 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000527099928 872652177 /nfs/dbraw/zinc/65/21/77/872652177.db2.gz OUSSPBOHVOFNMP-LZBANZJXSA-N 1 0 385.471 3.812 20 30 GHEDRO O=C(N1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)Cc2ccccc21)C(F)(F)F ZINC001195937888 872739098 /nfs/dbraw/zinc/73/90/98/872739098.db2.gz HQHNZHGDZLGOTA-QGZVFWFLSA-N 1 0 392.808 3.801 20 30 GHEDRO C[C@H](C#N)CNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000182765313 872747081 /nfs/dbraw/zinc/74/70/81/872747081.db2.gz QYXMWAORIAJHSC-CQSZACIVSA-N 1 0 383.323 3.760 20 30 GHEDRO CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC001195986852 872785324 /nfs/dbraw/zinc/78/53/24/872785324.db2.gz TZDAGBFHFHIXFX-QFIPXVFZSA-N 1 0 382.529 3.819 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000541073718 872854570 /nfs/dbraw/zinc/85/45/70/872854570.db2.gz DXOHSGUJKKOIBL-JKSUJKDBSA-N 1 0 392.503 3.889 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(SCC#N)c1 ZINC000176024616 882658750 /nfs/dbraw/zinc/65/87/50/882658750.db2.gz XNPRKVJKDFGFHR-LJQANCHMSA-N 1 0 379.529 3.896 20 30 GHEDRO CC[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000619754605 872964201 /nfs/dbraw/zinc/96/42/01/872964201.db2.gz FTKMQDDNNPDONA-HXUWFJFHSA-N 1 0 396.922 3.848 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000619755947 872967951 /nfs/dbraw/zinc/96/79/51/872967951.db2.gz AVWJWWLLBRXSDM-UHFFFAOYSA-N 1 0 396.922 3.718 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000619760219 872973984 /nfs/dbraw/zinc/97/39/84/872973984.db2.gz BEANIAKKHIBYGY-OAQYLSRUSA-N 1 0 396.922 3.921 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619749889 872985751 /nfs/dbraw/zinc/98/57/51/872985751.db2.gz FQGKAKITCCIASX-UHFFFAOYSA-N 1 0 397.910 3.675 20 30 GHEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000527349704 873026316 /nfs/dbraw/zinc/02/63/16/873026316.db2.gz WDGMCHWWYBYCQY-OCDPCBSRSA-N 1 0 392.503 3.959 20 30 GHEDRO C=CC[C@H]([NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccncc1 ZINC000768222093 873174998 /nfs/dbraw/zinc/17/49/98/873174998.db2.gz DNIHUCQSDZIBNS-COPCDDAFSA-N 1 0 395.503 3.715 20 30 GHEDRO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541255268 873248556 /nfs/dbraw/zinc/24/85/56/873248556.db2.gz JNKIAVHFEUHQTH-OXJNMPFZSA-N 1 0 379.529 3.996 20 30 GHEDRO CC[NH+](CC)CCCNC(=S)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001196660704 873294666 /nfs/dbraw/zinc/29/46/66/873294666.db2.gz RZGOWLPOIHFJSZ-UHFFFAOYSA-N 1 0 379.580 3.762 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(C)c(C#N)c1 ZINC001196713475 873316613 /nfs/dbraw/zinc/31/66/13/873316613.db2.gz CHBOYKUGSLZBFV-UHFFFAOYSA-N 1 0 380.492 3.909 20 30 GHEDRO CN(C)C[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC001196737486 873344055 /nfs/dbraw/zinc/34/40/55/873344055.db2.gz UVKMCPOIWUDSER-RTBURBONSA-N 1 0 378.303 3.791 20 30 GHEDRO CC(C)n1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000443524626 873517111 /nfs/dbraw/zinc/51/71/11/873517111.db2.gz UVJLMOYXVIMNGP-NSHDSACASA-N 1 0 396.442 3.763 20 30 GHEDRO C#CCOc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000768799892 873560484 /nfs/dbraw/zinc/56/04/84/873560484.db2.gz RYIBHLDGTPGQDG-KRWDZBQOSA-N 1 0 383.879 3.598 20 30 GHEDRO COc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)ccc1OC(F)F ZINC000527813581 873599711 /nfs/dbraw/zinc/59/97/11/873599711.db2.gz YCJUAOSNSIHAKA-UHFFFAOYSA-N 1 0 388.414 3.964 20 30 GHEDRO COc1ccc(-n2cc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)cn2)cc1 ZINC000527807461 873627463 /nfs/dbraw/zinc/62/74/63/873627463.db2.gz CVVXSFYVCGHHCX-UHFFFAOYSA-N 1 0 388.471 3.548 20 30 GHEDRO Cc1ccccc1-c1nsc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000527827500 873638480 /nfs/dbraw/zinc/63/84/80/873638480.db2.gz BFAHIALVJNKTGG-UHFFFAOYSA-N 1 0 375.501 3.707 20 30 GHEDRO CCc1cc(C(=O)N(c2cccc(C)c2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)ccc1C#N ZINC001197274485 873687691 /nfs/dbraw/zinc/68/76/91/873687691.db2.gz DXJMFYPTOXKIBQ-VWNXMTODSA-N 1 0 389.499 3.597 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c1C#N ZINC000769068188 873799145 /nfs/dbraw/zinc/79/91/45/873799145.db2.gz RGXFKBFGEKKCHQ-UHFFFAOYSA-N 1 0 399.491 3.980 20 30 GHEDRO CCOC(=O)N1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000769201415 873884298 /nfs/dbraw/zinc/88/42/98/873884298.db2.gz UBCKOLAISXPPLI-UHFFFAOYSA-N 1 0 393.487 3.801 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1OCCOC)OCO2 ZINC000508634346 882773136 /nfs/dbraw/zinc/77/31/36/882773136.db2.gz VTCGVAMEHNPAGO-UHFFFAOYSA-N 1 0 382.460 3.724 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1c(C)nn(C)c1C ZINC000541592849 873906588 /nfs/dbraw/zinc/90/65/88/873906588.db2.gz DQZGHQQSACZFST-HNAYVOBHSA-N 1 0 385.487 3.552 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000769332304 873973804 /nfs/dbraw/zinc/97/38/04/873973804.db2.gz KETLBVBJDYXFST-INIZCTEOSA-N 1 0 390.524 3.818 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CC2)c1C#N ZINC000609133615 874057358 /nfs/dbraw/zinc/05/73/58/874057358.db2.gz MREPOUIESAAESX-OAQYLSRUSA-N 1 0 394.494 3.977 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1 ZINC000541717662 874158530 /nfs/dbraw/zinc/15/85/30/874158530.db2.gz BQYFPNPIHFLDSU-WOJBJXKFSA-N 1 0 383.536 3.830 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2c(C#N)oc3ccccc32)cc1 ZINC001198017195 874166171 /nfs/dbraw/zinc/16/61/71/874166171.db2.gz HKEQMEWRZGHEQY-UHFFFAOYSA-N 1 0 390.487 3.940 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC1 ZINC000775819357 874213321 /nfs/dbraw/zinc/21/33/21/874213321.db2.gz OACBEZMLNPDNAC-UHFFFAOYSA-N 1 0 377.901 3.630 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1O2 ZINC000769822740 874284827 /nfs/dbraw/zinc/28/48/27/874284827.db2.gz RBOZHUVQTFJPFA-UHFFFAOYSA-N 1 0 384.411 3.797 20 30 GHEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCCCCCN2C(=O)C=CC2=O)cc1 ZINC001168106798 874446379 /nfs/dbraw/zinc/44/63/79/874446379.db2.gz WLTXTVIENJZSDW-OAQYLSRUSA-N 1 0 381.520 3.907 20 30 GHEDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000464767052 874457411 /nfs/dbraw/zinc/45/74/11/874457411.db2.gz BYVCJSMYURWEFP-MSOLQXFVSA-N 1 0 398.494 3.779 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464778525 874476368 /nfs/dbraw/zinc/47/63/68/874476368.db2.gz QPFJMYYWILRIEA-MRXNPFEDSA-N 1 0 388.581 3.633 20 30 GHEDRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]CCCCC#N ZINC000449131094 874514878 /nfs/dbraw/zinc/51/48/78/874514878.db2.gz KAJQYLXIPOKDAQ-UHFFFAOYSA-N 1 0 381.263 3.749 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000770156467 874519782 /nfs/dbraw/zinc/51/97/82/874519782.db2.gz WJHHOGJTVMKZHO-UHFFFAOYSA-N 1 0 395.503 3.654 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1C#N ZINC000464861739 874662117 /nfs/dbraw/zinc/66/21/17/874662117.db2.gz VJDXJTZSFLGPPM-GHTZIAJQSA-N 1 0 398.551 3.921 20 30 GHEDRO COc1ccc2c(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cc(=O)oc2c1 ZINC000104715674 874662555 /nfs/dbraw/zinc/66/25/55/874662555.db2.gz FOWVYQSOIOIMDF-UHFFFAOYSA-N 1 0 390.439 3.717 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542018674 874781992 /nfs/dbraw/zinc/78/19/92/874781992.db2.gz XTSJTHDPEKGANW-AWEZNQCLSA-N 1 0 375.394 3.897 20 30 GHEDRO COc1ccc(C(C)(C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1F ZINC000528677043 874875132 /nfs/dbraw/zinc/87/51/32/874875132.db2.gz YBFZUFMUJYVAHF-UHFFFAOYSA-N 1 0 375.469 3.848 20 30 GHEDRO CN(CCC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)CC(F)(F)F ZINC001199285511 874888520 /nfs/dbraw/zinc/88/85/20/874888520.db2.gz CTTBTDOVMSXNRE-UHFFFAOYSA-N 1 0 376.316 3.741 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1Cl ZINC000609144402 874915917 /nfs/dbraw/zinc/91/59/17/874915917.db2.gz VWUBBEPHYBLEED-QZTJIDSGSA-N 1 0 394.906 3.608 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1OCCCC#N ZINC000449533296 875016203 /nfs/dbraw/zinc/01/62/03/875016203.db2.gz FHENCVMKPGMMRV-TZIWHRDSSA-N 1 0 381.476 3.783 20 30 GHEDRO CCc1cccc(CC)c1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528785491 875057245 /nfs/dbraw/zinc/05/72/45/875057245.db2.gz XELVPYFCZIVRNJ-UHFFFAOYSA-N 1 0 391.515 3.917 20 30 GHEDRO COc1ccc(C[C@@H](CO)C[NH2+]C2CCC(C)(C#N)CC2)cc1Br ZINC000449598582 875104267 /nfs/dbraw/zinc/10/42/67/875104267.db2.gz IWHRPHUZZFRPMZ-MDCZIUGASA-N 1 0 395.341 3.671 20 30 GHEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]CC(C)(C)CCC#N ZINC000449684850 875237674 /nfs/dbraw/zinc/23/76/74/875237674.db2.gz SPIJKHSHUUXXCE-CQSZACIVSA-N 1 0 383.330 3.528 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(-n4ccnc4)cs3)C2)c(F)c1 ZINC000542247664 875244949 /nfs/dbraw/zinc/24/49/49/875244949.db2.gz SWZNTBNCMCDVKO-MRXNPFEDSA-N 1 0 381.480 3.703 20 30 GHEDRO COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(C#N)c(F)c3)c2C)cc1 ZINC000449735520 875319675 /nfs/dbraw/zinc/31/96/75/875319675.db2.gz HJTHLICSWNCRLY-UHFFFAOYSA-N 1 0 378.451 3.857 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc(OC)c1OCC(F)F ZINC000449738145 875322179 /nfs/dbraw/zinc/32/21/79/875322179.db2.gz ZCMOIXZAUZZOJR-UHFFFAOYSA-N 1 0 380.366 3.648 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@H]1c1ccccc1 ZINC000449752970 875349452 /nfs/dbraw/zinc/34/94/52/875349452.db2.gz HNSZTWIFNKCFSI-FGZHOGPDSA-N 1 0 378.472 3.758 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3SCC#N)c2)CC1 ZINC000771635817 875374301 /nfs/dbraw/zinc/37/43/01/875374301.db2.gz HQTGVIGFSWSPRA-UHFFFAOYSA-N 1 0 380.517 3.696 20 30 GHEDRO CCN(CC[NH+](CC)CC)C(=S)Nc1ccc(C#N)cc1Br ZINC001201120469 875535053 /nfs/dbraw/zinc/53/50/53/875535053.db2.gz GHKUNAXTNMJRHP-UHFFFAOYSA-N 1 0 383.359 3.681 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000858219297 882950221 /nfs/dbraw/zinc/95/02/21/882950221.db2.gz HHSVVNQKHCDHHY-VQTJNVASSA-N 1 0 384.524 3.574 20 30 GHEDRO Cc1ccc(S(=O)(=O)c2ccc([N-][NH+]=Cc3c[nH+]ccc3N(C)C)cc2)cc1 ZINC000776178909 875694029 /nfs/dbraw/zinc/69/40/29/875694029.db2.gz HNKMNJYLOJFTGA-UHFFFAOYSA-N 1 0 394.500 3.735 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000772113064 875703753 /nfs/dbraw/zinc/70/37/53/875703753.db2.gz DIUUCELHYPEWHT-UHFFFAOYSA-N 1 0 392.377 3.749 20 30 GHEDRO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)c3ccccc31)C2 ZINC001110015648 875721118 /nfs/dbraw/zinc/72/11/18/875721118.db2.gz KGHYTHJUOYLYMA-MNEFBYGVSA-N 1 0 382.508 3.641 20 30 GHEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccccc2C#Cc2ccccc2)C[C@H](C)O1 ZINC001201564314 875754454 /nfs/dbraw/zinc/75/44/54/875754454.db2.gz KXGIDDIKSBNALH-PMACEKPBSA-N 1 0 391.515 3.707 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000858241131 882969105 /nfs/dbraw/zinc/96/91/05/882969105.db2.gz XKYRHDGHBURWAB-KRWDZBQOSA-N 1 0 382.533 3.818 20 30 GHEDRO COCc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1C#N ZINC000529207789 875827614 /nfs/dbraw/zinc/82/76/14/875827614.db2.gz GUKVRFBCCABNQF-GOSISDBHSA-N 1 0 392.503 3.690 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C#N ZINC000529209852 875830409 /nfs/dbraw/zinc/83/04/09/875830409.db2.gz BIHABZWMUINSPK-ZWKOTPCHSA-N 1 0 384.524 3.823 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C#N ZINC000529215568 875844825 /nfs/dbraw/zinc/84/48/25/875844825.db2.gz FARADXZYWBYLIL-IBGZPJMESA-N 1 0 382.464 3.646 20 30 GHEDRO CCCCCCCC[N@H+]1CCc2nc(C(=O)Nc3ccncc3)sc2CC1 ZINC001201815226 875873745 /nfs/dbraw/zinc/87/37/45/875873745.db2.gz ZZKLESDPXQFUAC-UHFFFAOYSA-N 1 0 386.565 3.973 20 30 GHEDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000777015236 882974168 /nfs/dbraw/zinc/97/41/68/882974168.db2.gz UGDWODBEVLADRM-JVPBZIDWSA-N 1 0 378.394 3.774 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1)[C@H]1CCCO1 ZINC001202075048 876005037 /nfs/dbraw/zinc/00/50/37/876005037.db2.gz YAFNEGMEDUEBRT-IAGOWNOFSA-N 1 0 396.325 3.907 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000271915349 876025797 /nfs/dbraw/zinc/02/57/97/876025797.db2.gz BXYFZAOJCWFWDO-IXDOHACOSA-N 1 0 395.478 3.798 20 30 GHEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271927831 876045509 /nfs/dbraw/zinc/04/55/09/876045509.db2.gz GXIKMTSIOHVFMJ-OAHLLOKOSA-N 1 0 389.496 3.577 20 30 GHEDRO CCc1ccccc1NC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C)cc1 ZINC000151919143 876120923 /nfs/dbraw/zinc/12/09/23/876120923.db2.gz OZJVTLWUIKXBQI-UHFFFAOYSA-O 1 0 379.509 3.629 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000195539111 882999856 /nfs/dbraw/zinc/99/98/56/882999856.db2.gz QZLPDRNUIQUZNX-LSDHHAIUSA-N 1 0 385.439 3.669 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000195539114 883001191 /nfs/dbraw/zinc/00/11/91/883001191.db2.gz QZLPDRNUIQUZNX-CABCVRRESA-N 1 0 385.439 3.669 20 30 GHEDRO C=CCCC1(C(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)CC1 ZINC000475665787 876183171 /nfs/dbraw/zinc/18/31/71/876183171.db2.gz GHOJBLDBKGVGDA-UHFFFAOYSA-N 1 0 385.552 3.876 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(c3ncc(Br)cc3C#N)C2)CC1 ZINC000450292720 876233671 /nfs/dbraw/zinc/23/36/71/876233671.db2.gz IPOIPGKNXZWTQG-OAHLLOKOSA-N 1 0 377.330 3.664 20 30 GHEDRO [NH2+]=C(NCc1c(F)cccc1N1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262658944 876246558 /nfs/dbraw/zinc/24/65/58/876246558.db2.gz MJPOZYDIFDKZSP-UHFFFAOYSA-N 1 0 384.455 3.514 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCOCC1 ZINC000786169337 876538807 /nfs/dbraw/zinc/53/88/07/876538807.db2.gz KLSLPIRIZOKJMH-UHFFFAOYSA-N 1 0 375.538 3.622 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000180001206 883045065 /nfs/dbraw/zinc/04/50/65/883045065.db2.gz AGTPGVNVIVKTHS-UHFFFAOYSA-N 1 0 394.494 3.524 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cn2)c1 ZINC000609356009 883047433 /nfs/dbraw/zinc/04/74/33/883047433.db2.gz SONYGDSSVUJJOZ-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3ccccc3F)C2)cc1Cl ZINC000262678950 876871142 /nfs/dbraw/zinc/87/11/42/876871142.db2.gz RZDBJTYUTNZXNU-ZDUSSCGKSA-N 1 0 376.863 3.741 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@@H](OC)C(F)(F)F ZINC000786824658 876945620 /nfs/dbraw/zinc/94/56/20/876945620.db2.gz YEWIXTXVNDBSER-CQSZACIVSA-N 1 0 380.204 3.518 20 30 GHEDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccc(C#N)cc2)c1O ZINC000850487914 876963456 /nfs/dbraw/zinc/96/34/56/876963456.db2.gz KDBUXXMPGQKRMJ-GFCCVEGCSA-N 1 0 375.266 3.928 20 30 GHEDRO Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1C#N ZINC000786878944 877002629 /nfs/dbraw/zinc/00/26/29/877002629.db2.gz BATJDEZERYSUII-HXUWFJFHSA-N 1 0 378.476 3.503 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786892446 877010387 /nfs/dbraw/zinc/01/03/87/877010387.db2.gz RLURJARSVFVEKN-RXVVDRJESA-N 1 0 397.519 3.580 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000850587221 877059127 /nfs/dbraw/zinc/05/91/27/877059127.db2.gz SMCMQBHNLNMKGP-OAHLLOKOSA-N 1 0 397.525 3.723 20 30 GHEDRO Cc1cc(C[NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)ccc1C#N ZINC000443980712 877290154 /nfs/dbraw/zinc/29/01/54/877290154.db2.gz BCUCERRIDVMJSC-KRWDZBQOSA-N 1 0 378.394 3.706 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000451064116 877302541 /nfs/dbraw/zinc/30/25/41/877302541.db2.gz NYGDMUOMSPWSII-QZTJIDSGSA-N 1 0 391.581 3.524 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1 ZINC000746691191 877451052 /nfs/dbraw/zinc/45/10/52/877451052.db2.gz BUZVHCTUKGCBGT-UHFFFAOYSA-N 1 0 383.879 3.745 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cnc2c(cnn2C(C)C)c1)C(C)C ZINC000642655073 912252190 /nfs/dbraw/zinc/25/21/90/912252190.db2.gz GWXIFUSNDVUHGH-IBGZPJMESA-N 1 0 384.528 3.832 20 30 GHEDRO C=CC(C)(C)C(=O)OC[C@H](C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000851519918 877761405 /nfs/dbraw/zinc/76/14/05/877761405.db2.gz PBKWOQIFFNOHLY-NMLBUPMWSA-N 1 0 385.504 3.694 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127375784 877775153 /nfs/dbraw/zinc/77/51/53/877775153.db2.gz FUZXREQXOBWLFK-JOCHJYFZSA-N 1 0 378.451 3.685 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)CC1 ZINC000516050422 877793597 /nfs/dbraw/zinc/79/35/97/877793597.db2.gz DHDRPXIOXGNCIP-UHFFFAOYSA-N 1 0 394.544 3.835 20 30 GHEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000179663455 877841560 /nfs/dbraw/zinc/84/15/60/877841560.db2.gz MLAOUTAHKIRQKU-FXAWDEMLSA-N 1 0 377.916 3.834 20 30 GHEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000179663446 877843164 /nfs/dbraw/zinc/84/31/64/877843164.db2.gz MLAOUTAHKIRQKU-XLIONFOSSA-N 1 0 377.916 3.834 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000642706441 912289378 /nfs/dbraw/zinc/28/93/78/912289378.db2.gz NZHJOBSAFWBEHN-CTNGQTDRSA-N 1 0 381.568 3.806 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)CC1(C#N)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000477609808 877925805 /nfs/dbraw/zinc/92/58/05/877925805.db2.gz ZNQFFXOIURLKGP-KRWDZBQOSA-N 1 0 377.554 3.509 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000152383515 877929757 /nfs/dbraw/zinc/92/97/57/877929757.db2.gz IJEFUUJCYIUAAL-PMACEKPBSA-N 1 0 393.531 3.967 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000152383830 877930845 /nfs/dbraw/zinc/93/08/45/877930845.db2.gz IJEFUUJCYIUAAL-WOJBJXKFSA-N 1 0 393.531 3.967 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000237761526 877943495 /nfs/dbraw/zinc/94/34/95/877943495.db2.gz LFOOJFKVNADKBH-HXUWFJFHSA-N 1 0 386.879 3.938 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451427276 877960075 /nfs/dbraw/zinc/96/00/75/877960075.db2.gz WUHACJXMJDWBAK-JFRXWTBNSA-N 1 0 387.549 3.645 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000851904866 877970263 /nfs/dbraw/zinc/97/02/63/877970263.db2.gz DMEDLUYPQSQSFD-AZUAARDMSA-N 1 0 392.421 3.675 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000179767714 877992439 /nfs/dbraw/zinc/99/24/39/877992439.db2.gz WGQLBSURQIGQAW-UHFFFAOYSA-N 1 0 378.472 3.645 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451478316 877992572 /nfs/dbraw/zinc/99/25/72/877992572.db2.gz JYHBVFFWJMEMRE-IONDEXAJSA-N 1 0 387.549 3.670 20 30 GHEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1(C)C ZINC000451492714 878039920 /nfs/dbraw/zinc/03/99/20/878039920.db2.gz DUNKMBRQVGVZAG-TWKYDXJASA-N 1 0 375.538 3.526 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1C#N ZINC000451495858 878043892 /nfs/dbraw/zinc/04/38/92/878043892.db2.gz SZCXJCLPMFHJSS-DUXKGJEZSA-N 1 0 396.535 3.577 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)cnc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183148379 912306560 /nfs/dbraw/zinc/30/65/60/912306560.db2.gz JFGRTQDOVIGNME-KRWDZBQOSA-N 1 0 394.519 3.942 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1OC ZINC000530590912 878132051 /nfs/dbraw/zinc/13/20/51/878132051.db2.gz GCHSEWITSRUYIY-GOSISDBHSA-N 1 0 388.895 3.946 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]CCOc1ccc(C#N)cc1 ZINC000537708439 878155587 /nfs/dbraw/zinc/15/55/87/878155587.db2.gz GHQNMCVLXFALIM-UHFFFAOYSA-N 1 0 390.281 3.542 20 30 GHEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460567170 878167743 /nfs/dbraw/zinc/16/77/43/878167743.db2.gz NZNVPFCRJYKRAH-GOSISDBHSA-N 1 0 390.535 3.686 20 30 GHEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000537719876 878192772 /nfs/dbraw/zinc/19/27/72/878192772.db2.gz GTFPERYNSBYKKI-SFHVURJKSA-N 1 0 397.544 3.532 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC001183175837 912331365 /nfs/dbraw/zinc/33/13/65/912331365.db2.gz KIHFTYQJFHIJFZ-QFIPXVFZSA-N 1 0 393.572 3.609 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1C#N ZINC000451697153 878318869 /nfs/dbraw/zinc/31/88/69/878318869.db2.gz QMXUJRINXQWZLE-GGPKGHCWSA-N 1 0 398.551 3.513 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1 ZINC001127579340 878376023 /nfs/dbraw/zinc/37/60/23/878376023.db2.gz METWVDAEXHNEQR-UHFFFAOYSA-N 1 0 392.503 3.805 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000530735321 878431780 /nfs/dbraw/zinc/43/17/80/878431780.db2.gz BUCASZIDEOTDEA-QLDGJZPUSA-N 1 0 377.488 3.865 20 30 GHEDRO C[C@@H](CCO)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000537854850 878434934 /nfs/dbraw/zinc/43/49/34/878434934.db2.gz KKXKVWUJFBWDLD-INIZCTEOSA-N 1 0 385.895 3.813 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000852594358 878447488 /nfs/dbraw/zinc/44/74/88/878447488.db2.gz MFQQXBBWLVPHOL-UGKGYDQZSA-N 1 0 383.536 3.911 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000170876785 878451942 /nfs/dbraw/zinc/45/19/42/878451942.db2.gz JDRCSHIPNKYNTH-MRXNPFEDSA-N 1 0 395.482 3.640 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)s1 ZINC000852603127 878460260 /nfs/dbraw/zinc/46/02/60/878460260.db2.gz FKULXIMTNJVZQC-CQSZACIVSA-N 1 0 385.455 3.633 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451792109 878509205 /nfs/dbraw/zinc/50/92/05/878509205.db2.gz SIPVPZWKIBQTIF-HZPDHXFCSA-N 1 0 377.554 3.748 20 30 GHEDRO CCc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000455913996 878532957 /nfs/dbraw/zinc/53/29/57/878532957.db2.gz SDFLZMIOXBFBKL-UHFFFAOYSA-N 1 0 380.492 3.725 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)c1C#N ZINC000852728413 878554211 /nfs/dbraw/zinc/55/42/11/878554211.db2.gz BNWSYEIHAMHNSF-WOJBJXKFSA-N 1 0 386.879 3.846 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000451849159 878558121 /nfs/dbraw/zinc/55/81/21/878558121.db2.gz VUYJBRFXRAVIRO-KRWDZBQOSA-N 1 0 399.583 3.836 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460790175 878566478 /nfs/dbraw/zinc/56/64/78/878566478.db2.gz LIUXXEKQNKIQJB-ZWKOTPCHSA-N 1 0 392.551 3.845 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000852810090 878615359 /nfs/dbraw/zinc/61/53/59/878615359.db2.gz QTSQHLOGVXGJLM-UHFFFAOYSA-N 1 0 379.407 3.770 20 30 GHEDRO Cc1cccc(C)c1OC[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852851848 878635485 /nfs/dbraw/zinc/63/54/85/878635485.db2.gz WYEHPUWAFHUTEV-QFIPXVFZSA-N 1 0 376.500 3.543 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]CCC(=O)N(C)c2ccccc2)ccc1OC ZINC000853098810 878813497 /nfs/dbraw/zinc/81/34/97/878813497.db2.gz NKEDAOKFHXWXLG-IBGZPJMESA-N 1 0 381.476 3.519 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1Oc2ccccc2[C@H]1C ZINC000530972850 878854813 /nfs/dbraw/zinc/85/48/13/878854813.db2.gz VZOVODFYHFWWEN-VGWCWKRBSA-N 1 0 395.528 3.978 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460964421 878875627 /nfs/dbraw/zinc/87/56/27/878875627.db2.gz TXNNCLZCNQBHJU-IBGZPJMESA-N 1 0 392.551 3.952 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460964662 878877190 /nfs/dbraw/zinc/87/71/90/878877190.db2.gz VNSVKIBHZDRVNC-LJQANCHMSA-N 1 0 379.552 3.908 20 30 GHEDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000789365654 878900027 /nfs/dbraw/zinc/90/00/27/878900027.db2.gz NKMZBLAAKBYJQS-INIZCTEOSA-N 1 0 392.459 3.536 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1OC ZINC001183291942 912399455 /nfs/dbraw/zinc/39/94/55/912399455.db2.gz NFYTZIRCRYWLGC-UYAOXDASSA-N 1 0 389.879 3.538 20 30 GHEDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000452084664 878944002 /nfs/dbraw/zinc/94/40/02/878944002.db2.gz NHJCDJRYJIYXOT-HNNXBMFYSA-N 1 0 375.538 3.576 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1 ZINC001183294130 912402337 /nfs/dbraw/zinc/40/23/37/912402337.db2.gz BATBVHCONLRZGQ-UHFFFAOYSA-N 1 0 393.918 3.806 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)CCCCC1 ZINC000538167364 878968112 /nfs/dbraw/zinc/96/81/12/878968112.db2.gz CUIBSLDKFLOTSD-HXUWFJFHSA-N 1 0 395.478 3.878 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000538212528 879026717 /nfs/dbraw/zinc/02/67/17/879026717.db2.gz NSIKGTAQYUOREU-IERDGZPVSA-N 1 0 385.458 3.846 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)CSCC#N)cc1)C[C@@H]1CCCCO1 ZINC000538222313 879045910 /nfs/dbraw/zinc/04/59/10/879045910.db2.gz TUPMUNROVOVALS-IBGZPJMESA-N 1 0 375.538 3.661 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178323356 879083490 /nfs/dbraw/zinc/08/34/90/879083490.db2.gz JCTAAMPYWQVXBX-KRWDZBQOSA-N 1 0 378.438 3.828 20 30 GHEDRO CC(C)Oc1cccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000068846631 879087724 /nfs/dbraw/zinc/08/77/24/879087724.db2.gz UNQGYKQHCNQTAC-UHFFFAOYSA-N 1 0 391.515 3.622 20 30 GHEDRO Cc1cc(C)c(C(=O)C(C(=S)NC2CCOCC2)[n+]2ccccc2)cc1C ZINC000068866599 879106291 /nfs/dbraw/zinc/10/62/91/879106291.db2.gz PNXPBDZMHKQBME-UHFFFAOYSA-O 1 0 383.537 3.607 20 30 GHEDRO C#Cc1cccnc1N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000853676662 879215280 /nfs/dbraw/zinc/21/52/80/879215280.db2.gz FKKMCTJXOXZSDB-UHFFFAOYSA-N 1 0 380.923 3.507 20 30 GHEDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)CC2 ZINC000597704672 879231322 /nfs/dbraw/zinc/23/13/22/879231322.db2.gz ZKYPXBVVAJLOQW-UHFFFAOYSA-N 1 0 383.536 3.829 20 30 GHEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)Nc1ccc2ccccc2c1 ZINC000853719263 879239829 /nfs/dbraw/zinc/23/98/29/879239829.db2.gz ULIAOBJCAONYDO-UHFFFAOYSA-N 1 0 389.455 3.666 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000617033754 879330493 /nfs/dbraw/zinc/33/04/93/879330493.db2.gz UKGMRAZWOGOQMN-UHFFFAOYSA-N 1 0 398.478 3.794 20 30 GHEDRO C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Oc1ccc(Br)cc1 ZINC000538416659 879426707 /nfs/dbraw/zinc/42/67/07/879426707.db2.gz DPXPLHGJJVYDDN-CYBMUJFWSA-N 1 0 385.265 3.526 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccccc2F)s1 ZINC000180876801 879438760 /nfs/dbraw/zinc/43/87/60/879438760.db2.gz XTJKCXDIEXEBHO-UUPHZHHOSA-N 1 0 385.464 3.731 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CC1 ZINC000180986995 879563303 /nfs/dbraw/zinc/56/33/03/879563303.db2.gz BZRDBHSINIESJB-UHFFFAOYSA-N 1 0 378.467 3.727 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000542471285 879705278 /nfs/dbraw/zinc/70/52/78/879705278.db2.gz YOIZFOGHWBYUEF-UHFFFAOYSA-N 1 0 376.504 3.853 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@@H](C)[C@@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000493982429 879814630 /nfs/dbraw/zinc/81/46/30/879814630.db2.gz ALTWMDSGACQFHU-DLBZAZTESA-N 1 0 396.487 3.539 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493985684 879818656 /nfs/dbraw/zinc/81/86/56/879818656.db2.gz OIWSNBOSFZVLRG-PKOBYXMFSA-N 1 0 375.806 3.551 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2snc(Cl)c2C#N)cc1 ZINC000181145551 879867410 /nfs/dbraw/zinc/86/74/10/879867410.db2.gz PBYPCFHOAPCBDG-UHFFFAOYSA-N 1 0 378.885 3.532 20 30 GHEDRO C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461456999 879869001 /nfs/dbraw/zinc/86/90/01/879869001.db2.gz OWUDXQHIWVDLOU-YADHBBJMSA-N 1 0 376.500 3.846 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CCC(CC[NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790638411 879876010 /nfs/dbraw/zinc/87/60/10/879876010.db2.gz AVCUPSXKYXGIMX-QFIPXVFZSA-N 1 0 393.572 3.523 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000461451459 879894527 /nfs/dbraw/zinc/89/45/27/879894527.db2.gz DFRWRWROWROKLW-CQSZACIVSA-N 1 0 380.492 3.896 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000466811077 912543813 /nfs/dbraw/zinc/54/38/13/912543813.db2.gz DJOYJHFUGPHNGI-WMZHIEFXSA-N 1 0 390.531 3.795 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000466811075 912544970 /nfs/dbraw/zinc/54/49/70/912544970.db2.gz DJOYJHFUGPHNGI-CVDCTZTESA-N 1 0 390.531 3.795 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1c[nH]c2c1cccc2OC)C(F)(F)F ZINC001183474625 912563906 /nfs/dbraw/zinc/56/39/06/912563906.db2.gz OZBYDDXPYNCCTL-GUYCJALGSA-N 1 0 395.425 3.589 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OCC)C2)cc1OC ZINC000776810626 880513500 /nfs/dbraw/zinc/51/35/00/880513500.db2.gz GHPYFBKIPCMAIY-FUHWJXTLSA-N 1 0 376.497 3.607 20 30 GHEDRO C[C@@H](Oc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cn1)c1ccccc1 ZINC000531814504 880513518 /nfs/dbraw/zinc/51/35/18/880513518.db2.gz ZWRFCFSPJHCBSG-GOSISDBHSA-N 1 0 380.492 3.529 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc(OC)c1O ZINC000113339657 880518797 /nfs/dbraw/zinc/51/87/97/880518797.db2.gz KMCHJMKNJGDLBE-QGZVFWFLSA-N 1 0 381.394 3.971 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)ccc1OC ZINC000113348061 880520024 /nfs/dbraw/zinc/52/00/24/880520024.db2.gz BOTHBAHIAIDBFO-HXUWFJFHSA-N 1 0 376.460 3.852 20 30 GHEDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000286123964 912578521 /nfs/dbraw/zinc/57/85/21/912578521.db2.gz OEZWXUXBKKOUEU-QHCPKHFHSA-N 1 0 379.504 3.637 20 30 GHEDRO CCOc1cc(NC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)ncn1 ZINC000185663494 880651825 /nfs/dbraw/zinc/65/18/25/880651825.db2.gz JAAVMIMFFRAJFP-UHFFFAOYSA-N 1 0 395.507 3.634 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)C1 ZINC000776825338 880667868 /nfs/dbraw/zinc/66/78/68/880667868.db2.gz GSVKPOLAYODCLE-LSDHHAIUSA-N 1 0 379.888 3.589 20 30 GHEDRO Cc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1NC(=O)CC[NH+](C)C ZINC000186224116 880824193 /nfs/dbraw/zinc/82/41/93/880824193.db2.gz ASCKOMQNDKPGFR-UHFFFAOYSA-N 1 0 396.516 3.753 20 30 GHEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000186358124 880865396 /nfs/dbraw/zinc/86/53/96/880865396.db2.gz UTFWELZZNLVGAI-OALUTQOASA-N 1 0 377.916 3.770 20 30 GHEDRO N#CCc1ccccc1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000776871811 880937152 /nfs/dbraw/zinc/93/71/52/880937152.db2.gz ZCCRWXCMWCOSGC-UHFFFAOYSA-N 1 0 379.529 3.525 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000453453333 880944179 /nfs/dbraw/zinc/94/41/79/880944179.db2.gz UZRREHOMKWGKBP-LJQANCHMSA-N 1 0 395.551 3.662 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453455091 880949117 /nfs/dbraw/zinc/94/91/17/880949117.db2.gz DQYYZKMRLUUXMK-JBACZVJFSA-N 1 0 395.551 3.805 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)o1 ZINC000453569539 881015339 /nfs/dbraw/zinc/01/53/39/881015339.db2.gz ANHNJQGCGKTNAT-UHFFFAOYSA-N 1 0 384.911 3.591 20 30 GHEDRO N#C[C@@]1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCc2ccccc2C1 ZINC000186897750 881017220 /nfs/dbraw/zinc/01/72/20/881017220.db2.gz YNNQIBZJZIXASR-ZJSXRUAMSA-N 1 0 391.490 3.605 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001170193569 881203417 /nfs/dbraw/zinc/20/34/17/881203417.db2.gz HMMOUMNMRGMQRS-MRXNPFEDSA-N 1 0 399.409 3.609 20 30 GHEDRO COc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Cc1ccccc1 ZINC000119984847 881243705 /nfs/dbraw/zinc/24/37/05/881243705.db2.gz YPDHXXYEFJAADN-UHFFFAOYSA-N 1 0 394.519 3.985 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792578924 881257915 /nfs/dbraw/zinc/25/79/15/881257915.db2.gz RHSREZYXKQZSFK-BGYRXZFFSA-N 1 0 398.428 3.647 20 30 GHEDRO C[C@@H]([NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc(OCC#N)cc1 ZINC000858489752 883139666 /nfs/dbraw/zinc/13/96/66/883139666.db2.gz KYYCNJYBBQDNNO-IERDGZPVSA-N 1 0 385.895 3.798 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(CCC#N)CCC[NH+](C)C)s1 ZINC000064381108 883274416 /nfs/dbraw/zinc/27/44/16/883274416.db2.gz ZWYUZGIPRVNZQD-UHFFFAOYSA-N 1 0 384.549 3.663 20 30 GHEDRO COc1ccc(C2=NO[C@@H](C[NH2+]C3CC(C#N)(c4ccccc4)C3)C2)cc1C ZINC001183619797 912705901 /nfs/dbraw/zinc/70/59/01/912705901.db2.gz NXJWOVTZLDPHDQ-LRZVDXDASA-N 1 0 375.472 3.710 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609610293 883421699 /nfs/dbraw/zinc/42/16/99/883421699.db2.gz TZSNVYUPINMLEA-MOPGFXCFSA-N 1 0 378.520 3.891 20 30 GHEDRO COc1cccc([C@@H]2CC(=O)N(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)C2)c1 ZINC000760533431 883448665 /nfs/dbraw/zinc/44/86/65/883448665.db2.gz XBOSFDYZGZXSAL-JOCHJYFZSA-N 1 0 391.515 3.998 20 30 GHEDRO CC(C)(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000858920897 883460842 /nfs/dbraw/zinc/46/08/42/883460842.db2.gz PFAYHGRSZAXNAN-UHFFFAOYSA-N 1 0 381.545 3.926 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000610281865 883492395 /nfs/dbraw/zinc/49/23/95/883492395.db2.gz SMAZFJJPRKSLKF-LJQANCHMSA-N 1 0 387.443 3.725 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000804977085 883526134 /nfs/dbraw/zinc/52/61/34/883526134.db2.gz LSMBYCBTHSTLSI-WWPVKYPJSA-N 1 0 375.516 3.756 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C(C)C ZINC000102571237 883620436 /nfs/dbraw/zinc/62/04/36/883620436.db2.gz JLKUYFUHIFTTFG-UHFFFAOYSA-N 1 0 393.491 3.662 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCOC(C)(C)C3)sc2C1 ZINC000609766736 883655961 /nfs/dbraw/zinc/65/59/61/883655961.db2.gz KGIQXWDKSWLGIY-CQSZACIVSA-N 1 0 375.538 3.574 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C3(C2)CCOCC3)cc1C#N ZINC000859325578 883743939 /nfs/dbraw/zinc/74/39/39/883743939.db2.gz SKJABFLZDYOEHL-HXUWFJFHSA-N 1 0 399.535 3.620 20 30 GHEDRO COc1cc(C#N)ccc1OCCOC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000805352751 883774101 /nfs/dbraw/zinc/77/41/01/883774101.db2.gz OMQYESONHWRQEP-UHFFFAOYSA-N 1 0 394.471 3.789 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000859367881 883778977 /nfs/dbraw/zinc/77/89/77/883778977.db2.gz OELAZQVEBRSOIC-WCQYABFASA-N 1 0 399.800 3.716 20 30 GHEDRO COc1cccc(OC)c1OC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000477152086 883793101 /nfs/dbraw/zinc/79/31/01/883793101.db2.gz QNNXKVRZIIJVCG-UHFFFAOYSA-N 1 0 396.487 3.888 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)CCCC2)cc1 ZINC000859398917 883796638 /nfs/dbraw/zinc/79/66/38/883796638.db2.gz PNBHIKNQEFSDQY-UHFFFAOYSA-N 1 0 388.515 3.546 20 30 GHEDRO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000609887084 883797580 /nfs/dbraw/zinc/79/75/80/883797580.db2.gz MHDIXSUQRXLUFW-GOSISDBHSA-N 1 0 393.487 3.747 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000455892049 883811859 /nfs/dbraw/zinc/81/18/59/883811859.db2.gz JMLSTMPOZZHGRH-UHFFFAOYSA-N 1 0 391.515 3.722 20 30 GHEDRO CC1(C(=O)OCCC[NH+]2CCCC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805597053 883930842 /nfs/dbraw/zinc/93/08/42/883930842.db2.gz BXALVBMXGIWKIN-UHFFFAOYSA-N 1 0 389.927 3.847 20 30 GHEDRO CC[NH+](CC)CCC[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000102636900 883990655 /nfs/dbraw/zinc/99/06/55/883990655.db2.gz RAIFIUVYZNMYIX-AWEZNQCLSA-N 1 0 376.570 3.597 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)c21 ZINC000897602172 884052964 /nfs/dbraw/zinc/05/29/64/884052964.db2.gz HXNFXLNFWIEQKR-UHFFFAOYSA-N 1 0 398.503 3.822 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793969 884080767 /nfs/dbraw/zinc/08/07/67/884080767.db2.gz MHQDQZWCPRYLPA-GCJKJVERSA-N 1 0 393.572 3.523 20 30 GHEDRO CN(C)C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000859847176 884118302 /nfs/dbraw/zinc/11/83/02/884118302.db2.gz CUMMCAVEUYFHQP-MOPGFXCFSA-N 1 0 378.303 3.791 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](O)C(F)(F)F ZINC000498358374 884141899 /nfs/dbraw/zinc/14/18/99/884141899.db2.gz CCGMZIJPUKTSDF-MOPGFXCFSA-N 1 0 378.394 3.929 20 30 GHEDRO N#CCC1(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CC1 ZINC000859953858 884202812 /nfs/dbraw/zinc/20/28/12/884202812.db2.gz ALQVPMIRQHXNNL-QZTJIDSGSA-N 1 0 381.501 3.596 20 30 GHEDRO Cc1ccc(SCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000498390925 884268159 /nfs/dbraw/zinc/26/81/59/884268159.db2.gz QZWQXTQUWQWHGX-UHFFFAOYSA-N 1 0 381.545 3.939 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(OCC#N)cc1 ZINC000806169884 884390078 /nfs/dbraw/zinc/39/00/78/884390078.db2.gz RYEQKHZUCFWODD-GDBMZVCRSA-N 1 0 383.414 3.573 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000102802811 884464985 /nfs/dbraw/zinc/46/49/85/884464985.db2.gz VQTICORYAOUCLA-OAHLLOKOSA-N 1 0 390.390 3.711 20 30 GHEDRO CCOc1ccc(CC[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000898347361 884766948 /nfs/dbraw/zinc/76/69/48/884766948.db2.gz NCIJQDPDSYISRT-UHFFFAOYSA-N 1 0 389.503 3.932 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000806746594 884974371 /nfs/dbraw/zinc/97/43/71/884974371.db2.gz HOPRWNFMHXFTSE-QHCPKHFHSA-N 1 0 393.531 3.582 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000806808339 885008941 /nfs/dbraw/zinc/00/89/41/885008941.db2.gz AMGFHCKDGRGQHM-CTNGQTDRSA-N 1 0 398.482 3.609 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000051852222 885031561 /nfs/dbraw/zinc/03/15/61/885031561.db2.gz YGOGDPQJMMKVCS-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO C=C(C)CN1C(=O)/C(=C/c2ccc(OCC[NH+]3CCCC3)cc2)SC1=S ZINC000914868443 885064797 /nfs/dbraw/zinc/06/47/97/885064797.db2.gz NHULSLHPKFNQDX-AQTBWJFISA-N 1 0 388.558 3.939 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000806969254 885123267 /nfs/dbraw/zinc/12/32/67/885123267.db2.gz PEVZKCJKMIKHGG-NHCUHLMSSA-N 1 0 389.543 3.988 20 30 GHEDRO N#Cc1ccsc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000052031358 885145135 /nfs/dbraw/zinc/14/51/35/885145135.db2.gz HYKGXPVGDUUWEY-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000106888383 885190024 /nfs/dbraw/zinc/19/00/24/885190024.db2.gz GCEGGQOOWYFWSL-SFHVURJKSA-N 1 0 377.488 3.779 20 30 GHEDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000556519332 885191627 /nfs/dbraw/zinc/19/16/27/885191627.db2.gz MNJLKRRBGIXMGH-RDTXWAMCSA-N 1 0 388.414 3.670 20 30 GHEDRO COc1cc(NC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000861263151 885356257 /nfs/dbraw/zinc/35/62/57/885356257.db2.gz VLDOITJJYWHVTR-QFIPXVFZSA-N 1 0 396.466 3.740 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccc(CC)cc3)c3c2CCC3)CC1 ZINC000107597089 885412603 /nfs/dbraw/zinc/41/26/03/885412603.db2.gz MJXQOAWXWNAHQF-UHFFFAOYSA-N 1 0 392.547 3.694 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc21 ZINC000453991864 885456973 /nfs/dbraw/zinc/45/69/73/885456973.db2.gz QQGDUYCBRKSSIW-HXUWFJFHSA-N 1 0 390.487 3.614 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000476403955 885632095 /nfs/dbraw/zinc/63/20/95/885632095.db2.gz BHAASVAZGQKBQL-UHFFFAOYSA-N 1 0 398.551 3.669 20 30 GHEDRO COc1ccc(OC2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000532472969 885684024 /nfs/dbraw/zinc/68/40/24/885684024.db2.gz VEULOHNGHFYZDQ-UHFFFAOYSA-N 1 0 399.878 3.702 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000808296512 886229170 /nfs/dbraw/zinc/22/91/70/886229170.db2.gz LHKNRDNRXKRRLH-XYOKQWHBSA-N 1 0 393.487 3.938 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001131238909 886241010 /nfs/dbraw/zinc/24/10/10/886241010.db2.gz KUSLJPPPAKRUSG-HSZRJFAPSA-N 1 0 387.527 3.959 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(Br)ccn3)CC2)C1=O ZINC001275289915 913024681 /nfs/dbraw/zinc/02/46/81/913024681.db2.gz YCZHZDVLZFGQRI-LJQANCHMSA-N 1 0 392.341 3.625 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000498994733 886299662 /nfs/dbraw/zinc/29/96/62/886299662.db2.gz ASNUKKIJVGZCJB-UWJYYQICSA-N 1 0 380.488 3.739 20 30 GHEDRO C=CCn1c(C)nn(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1=S ZINC000762503887 886300639 /nfs/dbraw/zinc/30/06/39/886300639.db2.gz VYVZDOOOMUBYKW-UHFFFAOYSA-N 1 0 397.592 3.854 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)cc(OC)c1O ZINC000808427141 886313761 /nfs/dbraw/zinc/31/37/61/886313761.db2.gz XCZMFRCPYQNSEC-QGZVFWFLSA-N 1 0 381.394 3.971 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)c(F)c1 ZINC000556841983 886327457 /nfs/dbraw/zinc/32/74/57/886327457.db2.gz UGRKMLOHZVJTFR-UHFFFAOYSA-N 1 0 392.434 3.833 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000556849949 886353366 /nfs/dbraw/zinc/35/33/66/886353366.db2.gz KPZSVAUGERSIBB-SFHVURJKSA-N 1 0 399.922 3.831 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1 ZINC000862481822 886400698 /nfs/dbraw/zinc/40/06/98/886400698.db2.gz MDDOOWNHYJYHNA-UZUQRXQVSA-N 1 0 376.456 3.977 20 30 GHEDRO COc1ccc2c(c1)CCC[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000537609596 886440687 /nfs/dbraw/zinc/44/06/87/886440687.db2.gz WMKUIDNHGIMSBV-JOCHJYFZSA-N 1 0 375.472 3.511 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000556880713 886475176 /nfs/dbraw/zinc/47/51/76/886475176.db2.gz QKMVWIHTYWNIOC-SJBKTWHCSA-N 1 0 380.488 3.887 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000556895491 886490487 /nfs/dbraw/zinc/49/04/87/886490487.db2.gz NHPRLIONFJJLCK-UHFFFAOYSA-N 1 0 389.547 3.781 20 30 GHEDRO Cc1ccc(S[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000499061330 886493729 /nfs/dbraw/zinc/49/37/29/886493729.db2.gz YYZIKYGZYUTPJY-GOSISDBHSA-N 1 0 381.545 3.938 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1OCCCC#N ZINC000762612100 886515607 /nfs/dbraw/zinc/51/56/07/886515607.db2.gz FOKRDBXHFMIXMV-ATZDWAIDSA-N 1 0 378.563 3.847 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000487972726 886638734 /nfs/dbraw/zinc/63/87/34/886638734.db2.gz ZGCCMTRWYNBXLA-BLLLJJGKSA-N 1 0 379.302 3.515 20 30 GHEDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1O ZINC000808716486 886700391 /nfs/dbraw/zinc/70/03/91/886700391.db2.gz OHNJMRKLTPTRTO-LIRRHRJNSA-N 1 0 383.879 3.677 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1C ZINC000747530945 886823534 /nfs/dbraw/zinc/82/35/34/886823534.db2.gz RSOXYOJWZXVPFZ-QFIPXVFZSA-N 1 0 383.536 3.974 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670209793 887073850 /nfs/dbraw/zinc/07/38/50/887073850.db2.gz JGTPRLSZOLFGCU-FQEVSTJZSA-N 1 0 395.551 3.806 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001184311104 913120803 /nfs/dbraw/zinc/12/08/03/913120803.db2.gz XWDQXNGQKBBNEE-VXKWHMMOSA-N 1 0 398.547 3.647 20 30 GHEDRO N#CCCN(C(=O)C[NH+]1CCC(C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000153656686 887213272 /nfs/dbraw/zinc/21/32/72/887213272.db2.gz FUIOLYIVWSZQIZ-UHFFFAOYSA-N 1 0 389.927 3.725 20 30 GHEDRO C=CCOc1ccc(CC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)cc1 ZINC001131626402 887245705 /nfs/dbraw/zinc/24/57/05/887245705.db2.gz ZOKBPSKYCBHHAM-UHFFFAOYSA-N 1 0 378.516 3.574 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cccc(Br)c1)C(C)C ZINC000495980481 887345202 /nfs/dbraw/zinc/34/52/02/887345202.db2.gz FMEDEDGBSSXYIZ-SFHVURJKSA-N 1 0 379.342 3.806 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2cnn(C(C)C)c2nc1C)C(C)C ZINC000496000390 887359607 /nfs/dbraw/zinc/35/96/07/887359607.db2.gz UHFWZVXWWGZZHO-HXUWFJFHSA-N 1 0 383.540 3.749 20 30 GHEDRO C#CCOc1ccccc1-c1noc(/C=C\c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000809395713 887396451 /nfs/dbraw/zinc/39/64/51/887396451.db2.gz PKFNWRPOCVJXLJ-KAMYIIQDSA-N 1 0 389.455 3.859 20 30 GHEDRO CC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000193757298 887421634 /nfs/dbraw/zinc/42/16/34/887421634.db2.gz YBMISWLZNWXRDD-RXVVDRJESA-N 1 0 376.504 3.969 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000542578613 887440374 /nfs/dbraw/zinc/44/03/74/887440374.db2.gz PNAOHDXTLZDLJZ-CABCVRRESA-N 1 0 375.538 3.622 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc(C#N)c1 ZINC000026325935 887544809 /nfs/dbraw/zinc/54/48/09/887544809.db2.gz MGRWZNDQEQYGOR-UHFFFAOYSA-N 1 0 378.501 3.831 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+](Cc1ccncc1)C1CC1)CCCC2 ZINC000153307648 887557828 /nfs/dbraw/zinc/55/78/28/887557828.db2.gz KKWGYYTXTYXUCK-UHFFFAOYSA-N 1 0 380.517 3.887 20 30 GHEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000809683536 887701750 /nfs/dbraw/zinc/70/17/50/887701750.db2.gz FQKPJUMPRDLDEZ-ZDUSSCGKSA-N 1 0 390.842 3.617 20 30 GHEDRO C#C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000809684336 887702606 /nfs/dbraw/zinc/70/26/06/887702606.db2.gz YYOZNLQUELFSJD-KRWDZBQOSA-N 1 0 375.472 3.727 20 30 GHEDRO C=CCc1cc(C[N@H+]2CCCC[C@H]2COC(=O)NCCC)cc(OC)c1O ZINC000809725865 887709464 /nfs/dbraw/zinc/70/94/64/887709464.db2.gz DONBATFANHUOMK-SFHVURJKSA-N 1 0 376.497 3.620 20 30 GHEDRO CCC[N@H+](C)[C@@H](C/N=C\c1c(O)c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000794678440 887750025 /nfs/dbraw/zinc/75/00/25/887750025.db2.gz BGCQRYPMQXHAHV-SNINMWPCSA-N 1 0 375.900 3.743 20 30 GHEDRO N#Cc1cc(N)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1C#N ZINC001184402423 913183932 /nfs/dbraw/zinc/18/39/32/913183932.db2.gz HAEVWKUJGYLENN-OAHLLOKOSA-N 1 0 393.878 3.516 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(c3nccc4sccc43)CC2)cc1 ZINC000809786918 887841431 /nfs/dbraw/zinc/84/14/31/887841431.db2.gz OMFCTVCJPIPKBL-MRXNPFEDSA-N 1 0 378.501 3.909 20 30 GHEDRO N#Cc1cc(N)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1C#N ZINC001184402422 913184823 /nfs/dbraw/zinc/18/48/23/913184823.db2.gz HAEVWKUJGYLENN-HNNXBMFYSA-N 1 0 393.878 3.516 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000188765437 887855946 /nfs/dbraw/zinc/85/59/46/887855946.db2.gz WYQMARQLDKZLRW-LJQANCHMSA-N 1 0 393.491 3.723 20 30 GHEDRO N#Cc1cccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c1Cl ZINC001275308181 913205271 /nfs/dbraw/zinc/20/52/71/913205271.db2.gz LQKJQPFLUWIRTQ-HUUCEWRRSA-N 1 0 385.817 3.729 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810130274 888197326 /nfs/dbraw/zinc/19/73/26/888197326.db2.gz LBLHFIKNDJHUSA-SJORKVTESA-N 1 0 390.487 3.753 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC001132088534 888219148 /nfs/dbraw/zinc/21/91/48/888219148.db2.gz YNPANASUPJYBET-AVRDEDQJSA-N 1 0 393.556 3.676 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC001127399361 888300319 /nfs/dbraw/zinc/30/03/19/888300319.db2.gz PMTHWPNUZSPPAW-SYYKKAFVSA-N 1 0 377.463 3.728 20 30 GHEDRO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000122820076 888480294 /nfs/dbraw/zinc/48/02/94/888480294.db2.gz WBNOZERBAAUHDV-UHFFFAOYSA-N 1 0 385.515 3.965 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000729682731 888511259 /nfs/dbraw/zinc/51/12/59/888511259.db2.gz BVDOSFQZQKPKKY-INIZCTEOSA-N 1 0 379.342 3.671 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2c(ccnc2Cl)o1 ZINC000866347694 888840569 /nfs/dbraw/zinc/84/05/69/888840569.db2.gz WLLHVFTVHSUTNN-CXAGYDPISA-N 1 0 394.862 3.805 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000532747245 888842126 /nfs/dbraw/zinc/84/21/26/888842126.db2.gz RFUCWUFHUUFILX-ACRUOGEOSA-N 1 0 383.536 3.687 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(CN3CCNC3=O)cc2)CC1 ZINC000866575925 888946420 /nfs/dbraw/zinc/94/64/20/888946420.db2.gz XGZSQVQEDQLWJQ-UHFFFAOYSA-N 1 0 388.515 3.706 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000810994579 889085292 /nfs/dbraw/zinc/08/52/92/889085292.db2.gz ONKYGCNJDNOMFQ-IBGZPJMESA-N 1 0 389.862 3.548 20 30 GHEDRO Cc1cc(NC(=O)c2sccc2CC#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000867745574 889148372 /nfs/dbraw/zinc/14/83/72/889148372.db2.gz WFMNPIPYBXAQGJ-UHFFFAOYSA-N 1 0 382.533 3.905 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763396225 889219687 /nfs/dbraw/zinc/21/96/87/889219687.db2.gz CSQNIMWSFDSFBI-NHCUHLMSSA-N 1 0 399.535 3.703 20 30 GHEDRO N#Cc1ccc([C@@H](O)CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000763413179 889240605 /nfs/dbraw/zinc/24/06/05/889240605.db2.gz HSKZPTFBYHPPGJ-BJKOFHAPSA-N 1 0 375.516 3.580 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C(F)(F)F)c1 ZINC000868210071 889354124 /nfs/dbraw/zinc/35/41/24/889354124.db2.gz MTTXHGHXSNCSAK-ZWKOTPCHSA-N 1 0 394.441 3.583 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532949572 889362757 /nfs/dbraw/zinc/36/27/57/889362757.db2.gz DYVHNBYFGPEYFA-UHFFFAOYSA-N 1 0 375.582 3.955 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000532935458 889377058 /nfs/dbraw/zinc/37/70/58/889377058.db2.gz FDHBYNSFBUAHNG-UHFFFAOYSA-N 1 0 378.476 3.904 20 30 GHEDRO C=CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(C#N)c1 ZINC000063300305 889563192 /nfs/dbraw/zinc/56/31/92/889563192.db2.gz RMHYMGNMSQHCGV-UHFFFAOYSA-N 1 0 390.512 3.997 20 30 GHEDRO N#CCc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001132801089 889588744 /nfs/dbraw/zinc/58/87/44/889588744.db2.gz IDLOLEJKUOIUNJ-LJQANCHMSA-N 1 0 388.393 3.541 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811459829 889619475 /nfs/dbraw/zinc/61/94/75/889619475.db2.gz PNNNARPURCZTKW-CQSZACIVSA-N 1 0 383.414 3.924 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2CCCc2ccccc2)c1 ZINC000533148365 889891920 /nfs/dbraw/zinc/89/19/20/889891920.db2.gz JAMCJYVBVNJJOC-OAQYLSRUSA-N 1 0 382.529 3.819 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CS2)C(C)C ZINC000125399586 889981957 /nfs/dbraw/zinc/98/19/57/889981957.db2.gz STHNYWUCMCGYNK-QGZVFWFLSA-N 1 0 388.537 3.551 20 30 GHEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000869763423 890066787 /nfs/dbraw/zinc/06/67/87/890066787.db2.gz UYMGDUSSGJRWQO-UHFFFAOYSA-N 1 0 385.533 3.512 20 30 GHEDRO N#Cc1cnc(NCCC[NH+]2CCN(c3ccccc3)CC2)c2sccc21 ZINC001184803141 913414917 /nfs/dbraw/zinc/41/49/17/913414917.db2.gz QAYDAJCAFMGSHK-UHFFFAOYSA-N 1 0 377.517 3.792 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000869929172 890140567 /nfs/dbraw/zinc/14/05/67/890140567.db2.gz SRWYXHQZAXPTMW-GOSISDBHSA-N 1 0 382.401 3.853 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000154159592 890154730 /nfs/dbraw/zinc/15/47/30/890154730.db2.gz XFFQPKAGJOMSOD-MRXNPFEDSA-N 1 0 379.909 3.942 20 30 GHEDRO COc1ccccc1CC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000533264115 890161757 /nfs/dbraw/zinc/16/17/57/890161757.db2.gz BQJOIBIPXLMFDR-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(C3(C#N)CC3)cc1)Cc1ccccc12 ZINC000870184410 890251386 /nfs/dbraw/zinc/25/13/86/890251386.db2.gz MCKARCAEFXNPCJ-UHFFFAOYSA-N 1 0 385.511 3.861 20 30 GHEDRO COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000916929488 890420506 /nfs/dbraw/zinc/42/05/06/890420506.db2.gz MJHNBIMTQSMQIM-LJQANCHMSA-N 1 0 391.471 3.642 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000812337485 890577964 /nfs/dbraw/zinc/57/79/64/890577964.db2.gz GCBZQCFKAJVPFP-UXHICEINSA-N 1 0 391.540 3.874 20 30 GHEDRO CCCc1c(NC(=O)N2CC[N@H+](CC)C[C@H]2CC)cnn1-c1cccc(C#N)c1 ZINC000455224595 890595526 /nfs/dbraw/zinc/59/55/26/890595526.db2.gz IXRDBNZOCIHNMT-GOSISDBHSA-N 1 0 394.523 3.644 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000871051869 890616238 /nfs/dbraw/zinc/61/62/38/890616238.db2.gz CPVINKYYGGWDAT-IBGZPJMESA-N 1 0 375.561 3.510 20 30 GHEDRO C=CCCCCCCCC[NH+]1CC2(C1)COCC(=O)N2CCC(F)(F)F ZINC001275340231 913473808 /nfs/dbraw/zinc/47/38/08/913473808.db2.gz HYSWGKKTXLTUNA-UHFFFAOYSA-N 1 0 376.463 3.769 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000533480105 890678868 /nfs/dbraw/zinc/67/88/68/890678868.db2.gz BRCKBNLVCOWUHD-OTQYULQBSA-N 1 0 383.536 3.891 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc2c(o1)CCCC2 ZINC000871642199 890956014 /nfs/dbraw/zinc/95/60/14/890956014.db2.gz ABQXALKUTLXQNC-UHFFFAOYSA-N 1 0 387.553 3.652 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)cc2)C1 ZINC000917075817 890975125 /nfs/dbraw/zinc/97/51/25/890975125.db2.gz PDFGIWDRETZZJT-HZPDHXFCSA-N 1 0 379.464 3.951 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000127329016 891004891 /nfs/dbraw/zinc/00/48/91/891004891.db2.gz FHSSGANTNHJHDU-FQEVSTJZSA-N 1 0 394.515 3.554 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)C1 ZINC000812917049 891102210 /nfs/dbraw/zinc/10/22/10/891102210.db2.gz ZHPHQJSZIIVOKT-GOSISDBHSA-N 1 0 385.405 3.662 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872033181 891127363 /nfs/dbraw/zinc/12/73/63/891127363.db2.gz GHAHQQOJLCQKGQ-QFBILLFUSA-N 1 0 379.342 3.767 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCOC3CCCCC3)CC2)cc1 ZINC000054000282 891196479 /nfs/dbraw/zinc/19/64/79/891196479.db2.gz JIIKDXLMUJCBOY-UHFFFAOYSA-N 1 0 398.551 3.515 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000747838581 891273273 /nfs/dbraw/zinc/27/32/73/891273273.db2.gz FQVRXGFWQWEYPW-UHFFFAOYSA-N 1 0 384.480 3.848 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246551069 891285773 /nfs/dbraw/zinc/28/57/73/891285773.db2.gz UCENKEUYSZSGIR-KURKYZTESA-N 1 0 386.565 3.578 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1cccnc1C#N ZINC000813164174 891323617 /nfs/dbraw/zinc/32/36/17/891323617.db2.gz HZPXFTXYAKXKDJ-QGZVFWFLSA-N 1 0 379.460 3.563 20 30 GHEDRO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)cc2C)[NH+](CC)CC)cc1 ZINC001212021924 891334877 /nfs/dbraw/zinc/33/48/77/891334877.db2.gz XJPLEMIVWFYMFV-NRFANRHFSA-N 1 0 399.560 3.791 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cncc(Br)c3)CC2)C1=O ZINC001275359146 913557487 /nfs/dbraw/zinc/55/74/87/913557487.db2.gz NJHAUJXCMIJZJV-LJQANCHMSA-N 1 0 392.341 3.625 20 30 GHEDRO Cc1sc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1Br ZINC000873039034 891441235 /nfs/dbraw/zinc/44/12/35/891441235.db2.gz VMYIUOPFQIEKRB-UHFFFAOYSA-N 1 0 391.338 3.844 20 30 GHEDRO N#CCC[C@@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248749906 891464191 /nfs/dbraw/zinc/46/41/91/891464191.db2.gz OIRYCPMOXXIKRP-IFMALSPDSA-N 1 0 376.504 3.853 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873698821 891761319 /nfs/dbraw/zinc/76/13/19/891761319.db2.gz SUBKOBXEGYSUAM-RTBURBONSA-N 1 0 387.572 3.591 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC12CCC2 ZINC000813785285 891968613 /nfs/dbraw/zinc/96/86/13/891968613.db2.gz MINNMJFWRWXROV-QGZVFWFLSA-N 1 0 395.507 3.618 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(CC)C2CCCC2)c1=S ZINC000917465718 892057734 /nfs/dbraw/zinc/05/77/34/892057734.db2.gz PJDWJSVXSVIGRM-UHFFFAOYSA-N 1 0 377.602 3.850 20 30 GHEDRO N#Cc1c[nH]c2cc(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)ccc12 ZINC001170718043 892151675 /nfs/dbraw/zinc/15/16/75/892151675.db2.gz IEEVTBILWVKDOP-XUTJKUGGSA-N 1 0 377.536 3.790 20 30 GHEDRO C#CCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC001134044218 892206846 /nfs/dbraw/zinc/20/68/46/892206846.db2.gz ULHOMXMDXKDPEJ-UHFFFAOYSA-N 1 0 389.524 3.879 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccccc1SCc1csc(C)n1 ZINC000729809327 892221969 /nfs/dbraw/zinc/22/19/69/892221969.db2.gz LBWSUSMMGYHIOS-QGZVFWFLSA-N 1 0 386.542 3.998 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)C1=C(C)C(C(C)=O)C(C)=N1)C(=S)NC1CCC1 ZINC000814184861 892378713 /nfs/dbraw/zinc/37/87/13/892378713.db2.gz IYJKZOZCTDVDGZ-UHFFFAOYSA-O 1 0 398.552 3.884 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000875042342 892426593 /nfs/dbraw/zinc/42/65/93/892426593.db2.gz RJADSXZMEPMKFT-KRWDZBQOSA-N 1 0 382.430 3.581 20 30 GHEDRO C=C(Br)CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814288634 892496642 /nfs/dbraw/zinc/49/66/42/892496642.db2.gz BSLPXKWJZVWNMK-UHFFFAOYSA-N 1 0 392.341 3.593 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000875448155 892620169 /nfs/dbraw/zinc/62/01/69/892620169.db2.gz NDUFHLDCGOCNLE-VQTJNVASSA-N 1 0 393.462 3.825 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000273164653 892921247 /nfs/dbraw/zinc/92/12/47/892921247.db2.gz GKEYNUVAHTVLPL-UHFFFAOYSA-N 1 0 379.382 3.741 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000272890368 892938352 /nfs/dbraw/zinc/93/83/52/892938352.db2.gz DSHWNWPJGBCAGL-MOZQLWJVSA-N 1 0 390.574 3.739 20 30 GHEDRO c1coc(CCNC(N[C@@H]2CCO[C@@]3(CCSC3)C2)=[NH+]C2CCCCC2)c1 ZINC000154613334 892996225 /nfs/dbraw/zinc/99/62/25/892996225.db2.gz NXXMCADQDHZEHS-NQIIRXRSSA-N 1 0 391.581 3.745 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](CCOc1ccc(C#N)cc1)CC2 ZINC000814645574 893037423 /nfs/dbraw/zinc/03/74/23/893037423.db2.gz WHWSFNIMMNBSCV-UHFFFAOYSA-N 1 0 385.508 3.660 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)[NH+]2CCCC2)c1 ZINC000455762627 893227686 /nfs/dbraw/zinc/22/76/86/893227686.db2.gz ZTTFQWCSZZYFSW-IBGZPJMESA-N 1 0 399.882 3.574 20 30 GHEDRO C=CCC[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428689301 893243203 /nfs/dbraw/zinc/24/32/03/893243203.db2.gz HUDPBVLEXNTSNB-NOZRDPDXSA-N 1 0 392.543 3.832 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2C2CC2)[C@@H](C)C1 ZINC000933837915 893249355 /nfs/dbraw/zinc/24/93/55/893249355.db2.gz JYYAQORWWZISQG-JXFKEZNVSA-N 1 0 384.524 3.694 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)C[C@H]1c1ccc(Br)cc1 ZINC000877460435 893622346 /nfs/dbraw/zinc/62/23/46/893622346.db2.gz SZNUGUJWKPZVFH-HKUYNNGSSA-N 1 0 385.309 3.641 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000877588762 893704609 /nfs/dbraw/zinc/70/46/09/893704609.db2.gz XXYBWNFHJZLVMY-NEWSRXKRSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000934557366 893711878 /nfs/dbraw/zinc/71/18/78/893711878.db2.gz OYRDLRVCMZSISX-KBPBESRZSA-N 1 0 397.548 3.783 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000877651803 893743702 /nfs/dbraw/zinc/74/37/02/893743702.db2.gz LLGMKWQYLSQSNX-SJORKVTESA-N 1 0 377.529 3.607 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1snc(C)c1C#N)c1cccc(OC)c1 ZINC000459549042 893782269 /nfs/dbraw/zinc/78/22/69/893782269.db2.gz CCAMUAFCYJOYSK-QGZVFWFLSA-N 1 0 387.509 3.536 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)c(-c2ccncc2)n1 ZINC000877810483 893820667 /nfs/dbraw/zinc/82/06/67/893820667.db2.gz GVPFQTBZGNQBFY-XMMPIXPASA-N 1 0 383.499 3.949 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC000877816145 893825007 /nfs/dbraw/zinc/82/50/07/893825007.db2.gz DJJOPQHYDCLNJK-CVEARBPZSA-N 1 0 383.414 3.693 20 30 GHEDRO Cc1nsc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000459570848 893838312 /nfs/dbraw/zinc/83/83/12/893838312.db2.gz CABWHTXGSDHHLF-PBHICJAKSA-N 1 0 383.521 3.840 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878021480 893954653 /nfs/dbraw/zinc/95/46/53/893954653.db2.gz HKZLOFHZBYFTLK-WMZHIEFXSA-N 1 0 399.535 3.664 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000498303256 893966503 /nfs/dbraw/zinc/96/65/03/893966503.db2.gz IUMSZLOANZPLHK-LJQANCHMSA-N 1 0 393.535 3.685 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000459655779 893994198 /nfs/dbraw/zinc/99/41/98/893994198.db2.gz FKZDRKJYRNQPJN-XJKSGUPXSA-N 1 0 394.313 3.572 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](COCc2ccccc2)C1)c1ccccc1 ZINC000878137352 894045170 /nfs/dbraw/zinc/04/51/70/894045170.db2.gz SUNQGAMLNGTDPS-LADGPHEKSA-N 1 0 376.500 3.966 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@H+](CCCO)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000878168974 894067210 /nfs/dbraw/zinc/06/72/10/894067210.db2.gz GMWNOEPAILUDLY-RPWUZVMVSA-N 1 0 376.500 3.799 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000878240201 894123283 /nfs/dbraw/zinc/12/32/83/894123283.db2.gz DWDSGQYANOUQSX-UPVQGACJSA-N 1 0 392.499 3.814 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000459714473 894139073 /nfs/dbraw/zinc/13/90/73/894139073.db2.gz OPGKPGXMNKIBHH-UHFFFAOYSA-N 1 0 396.329 3.962 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@H]2OC)cc1OC ZINC000537025018 894232413 /nfs/dbraw/zinc/23/24/13/894232413.db2.gz HLQQZZDWQNQHHX-GDBMZVCRSA-N 1 0 384.314 3.927 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022792946 894403660 /nfs/dbraw/zinc/40/36/60/894403660.db2.gz DEGHMJPBUMGGFA-UHFFFAOYSA-O 1 0 385.553 3.755 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NCCOC)cc1 ZINC000022793271 894405193 /nfs/dbraw/zinc/40/51/93/894405193.db2.gz GYZRQAGVVJJAAL-UHFFFAOYSA-O 1 0 385.553 3.637 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(CO)c1 ZINC000022797021 894406694 /nfs/dbraw/zinc/40/66/94/894406694.db2.gz GAMIRWRMOQPRMM-UHFFFAOYSA-O 1 0 397.564 3.868 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1CC ZINC000022798641 894410045 /nfs/dbraw/zinc/41/00/45/894410045.db2.gz NGOWZZYGZCPSLI-UHFFFAOYSA-O 1 0 398.508 3.858 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H](c3ccccc3Cl)N3CCCC3)n2c1 ZINC000537213458 894578419 /nfs/dbraw/zinc/57/84/19/894578419.db2.gz YQHVUKYOOJKJKL-HXUWFJFHSA-N 1 0 379.895 3.786 20 30 GHEDRO C[C@@H]1CC[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564211430 894725146 /nfs/dbraw/zinc/72/51/46/894725146.db2.gz HFRFCMPABONTJM-HBUWYVDXSA-N 1 0 389.425 3.898 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3[nH]nc4c3cccc4C)C2)CC1 ZINC001137141635 894910213 /nfs/dbraw/zinc/91/02/13/894910213.db2.gz CXOAFSPUIRFRGM-UHFFFAOYSA-N 1 0 382.508 3.872 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)cc1 ZINC000564577178 895092969 /nfs/dbraw/zinc/09/29/69/895092969.db2.gz QUYGMAAQJFMQNK-HXUWFJFHSA-N 1 0 383.536 3.635 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000564670945 895169053 /nfs/dbraw/zinc/16/90/53/895169053.db2.gz WPIXNFOGNGUPAI-NFBKMPQASA-N 1 0 389.499 3.595 20 30 GHEDRO C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCC1(C)C ZINC000879605882 895170304 /nfs/dbraw/zinc/17/03/04/895170304.db2.gz NVJRPOOGURHARM-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO COc1ccccc1NC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccccc1 ZINC000023580409 895354521 /nfs/dbraw/zinc/35/45/21/895354521.db2.gz JNGZBSQVMAHWDS-UHFFFAOYSA-O 1 0 380.493 3.979 20 30 GHEDRO CC1(C)[C@@H](c2cccc(Cl)c2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000880087767 895505547 /nfs/dbraw/zinc/50/55/47/895505547.db2.gz VITJNUYJVILREH-RTBURBONSA-N 1 0 376.928 3.979 20 30 GHEDRO CC1(C)[C@H](c2cccc(Cl)c2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880087765 895505826 /nfs/dbraw/zinc/50/58/26/895505826.db2.gz VITJNUYJVILREH-OALUTQOASA-N 1 0 376.928 3.979 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000565370771 895571570 /nfs/dbraw/zinc/57/15/70/895571570.db2.gz LRDDZXHYIRUNLQ-IBGZPJMESA-N 1 0 387.549 3.549 20 30 GHEDRO COC[C@@]1(C[NH2+][C@@H](CCC#N)c2ccc(OC)cc2)OCCc2ccccc21 ZINC000565568497 895729114 /nfs/dbraw/zinc/72/91/14/895729114.db2.gz FVVJZZNZYSDGER-XZOQPEGZSA-N 1 0 380.488 3.744 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000880986938 896049202 /nfs/dbraw/zinc/04/92/02/896049202.db2.gz GVUUFYYVJYVBSM-UHFFFAOYSA-N 1 0 391.450 3.664 20 30 GHEDRO N#CCC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000566026580 896054496 /nfs/dbraw/zinc/05/44/96/896054496.db2.gz XFGKIAVTEAYRHT-MJGOQNOKSA-N 1 0 389.293 3.823 20 30 GHEDRO CC1(C)CN(C(=O)c2cnccc2C#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000566071227 896090662 /nfs/dbraw/zinc/09/06/62/896090662.db2.gz SQPSWYZRRPNIMT-QFIPXVFZSA-N 1 0 388.515 3.716 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3nnsc3Cl)c2)CC1 ZINC000888865912 896126933 /nfs/dbraw/zinc/12/69/33/896126933.db2.gz JTVFURXQWIOIQM-UHFFFAOYSA-N 1 0 377.901 3.630 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000566145069 896141979 /nfs/dbraw/zinc/14/19/79/896141979.db2.gz IASKDFWJPZALHC-LAUBAEHRSA-N 1 0 376.460 3.908 20 30 GHEDRO Cc1cc(C(C)(C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1Br ZINC000566242349 896195370 /nfs/dbraw/zinc/19/53/70/896195370.db2.gz JCSZQGSNHHUQJH-UHFFFAOYSA-N 1 0 384.281 3.697 20 30 GHEDRO C=C(Br)C[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000818978982 896299982 /nfs/dbraw/zinc/29/99/82/896299982.db2.gz DKHKWNLWALFZTR-GOSISDBHSA-N 1 0 376.294 3.652 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000819166327 896440908 /nfs/dbraw/zinc/44/09/08/896440908.db2.gz UDPIKEVSGVYXQU-IERDGZPVSA-N 1 0 395.503 3.967 20 30 GHEDRO COc1ccc(C(C)N=Nc2cc(Cl)nc(N)n2)cc1C[NH+]1CCCCC1 ZINC000778546688 896475545 /nfs/dbraw/zinc/47/55/45/896475545.db2.gz MCOYLRVVXKJHHT-UHFFFAOYSA-N 1 0 388.903 3.543 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)c3cccc4ccccc43)C2=O)cc1 ZINC000819218629 896512661 /nfs/dbraw/zinc/51/26/61/896512661.db2.gz RICJJJCORGGKKU-GOTSBHOMSA-N 1 0 385.467 3.530 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+](CC)C(C)C)s1 ZINC000819281759 896565355 /nfs/dbraw/zinc/56/53/55/896565355.db2.gz XPIOZZSJJYDUQW-UHFFFAOYSA-N 1 0 375.991 3.685 20 30 GHEDRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]Cc2ccc(C#N)cn2)c2ccccc2)cc1 ZINC000819314294 896605359 /nfs/dbraw/zinc/60/53/59/896605359.db2.gz WTAJIMKEJMGCLQ-BJKOFHAPSA-N 1 0 387.483 3.518 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000819376778 896651811 /nfs/dbraw/zinc/65/18/11/896651811.db2.gz FZAYUPFTYXQLKF-RTWAWAEBSA-N 1 0 399.535 3.533 20 30 GHEDRO N#CC1(c2ccc(C(=O)Nc3ccc(N4CC[N@@H+]5CCC[C@H]5C4)cc3)cc2)CC1 ZINC000882396082 896788900 /nfs/dbraw/zinc/78/89/00/896788900.db2.gz ZPCBCFKWVXMHIY-QFIPXVFZSA-N 1 0 386.499 3.778 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000302950581 914105380 /nfs/dbraw/zinc/10/53/80/914105380.db2.gz MMVOHCVSUANUHS-OAQYLSRUSA-N 1 0 394.515 3.999 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC001137179995 896867649 /nfs/dbraw/zinc/86/76/49/896867649.db2.gz MORCJUAWQKBBJB-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO C[NH+]1CCC(ONC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000819693365 896908932 /nfs/dbraw/zinc/90/89/32/896908932.db2.gz XSASJQIQJULIDL-UHFFFAOYSA-N 1 0 381.501 3.606 20 30 GHEDRO CC(C)n1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000567215637 896976855 /nfs/dbraw/zinc/97/68/55/896976855.db2.gz XFGSADFQQSAPDZ-UHFFFAOYSA-N 1 0 396.539 3.620 20 30 GHEDRO N#CCCC1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000567349561 897083986 /nfs/dbraw/zinc/08/39/86/897083986.db2.gz VBIMIUPKGAUPCK-FQEVSTJZSA-N 1 0 397.519 3.527 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000131426143 897456162 /nfs/dbraw/zinc/45/61/62/897456162.db2.gz RBTILZZAVJGNLM-RTBURBONSA-N 1 0 386.540 3.962 20 30 GHEDRO C=CCC1(C(=O)OC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)CCOCC1 ZINC000820699489 897476905 /nfs/dbraw/zinc/47/69/05/897476905.db2.gz KJTMGCDSXVSKMO-HXUWFJFHSA-N 1 0 387.520 3.582 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(Br)c(F)cc3F)CC2)C1=O ZINC001275478792 914165755 /nfs/dbraw/zinc/16/57/55/914165755.db2.gz YEDHJYGZMTVWAS-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883392190 897555178 /nfs/dbraw/zinc/55/51/78/897555178.db2.gz BRNUPAWYNZNKLC-HXUWFJFHSA-N 1 0 377.488 3.787 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3CCN(CCc4cccs4)CC3)CCCC2)cc1 ZINC001136403789 897687910 /nfs/dbraw/zinc/68/79/10/897687910.db2.gz DCXNLPSTMJVXTB-UHFFFAOYSA-N 1 0 393.556 3.818 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000568484503 897880537 /nfs/dbraw/zinc/88/05/37/897880537.db2.gz XWLBVEXHJOCEHA-LEWJYISDSA-N 1 0 377.513 3.849 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000568518410 897904920 /nfs/dbraw/zinc/90/49/20/897904920.db2.gz BYAAKFILSGHLCK-UTKZUKDTSA-N 1 0 378.476 3.951 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000568801725 898112534 /nfs/dbraw/zinc/11/25/34/898112534.db2.gz VLUTZEJJJAETPZ-UZKOGDIHSA-N 1 0 397.563 3.579 20 30 GHEDRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000108398927 898379501 /nfs/dbraw/zinc/37/95/01/898379501.db2.gz PPWXJQSZZGKQCL-OALUTQOASA-N 1 0 387.524 3.611 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1Cl ZINC000569168072 898385773 /nfs/dbraw/zinc/38/57/73/898385773.db2.gz GWLBJFGALDREHT-UHFFFAOYSA-N 1 0 381.863 3.793 20 30 GHEDRO CC[C@@H]1[C@@H](C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C ZINC001136592381 898409112 /nfs/dbraw/zinc/40/91/12/898409112.db2.gz XTFAGCQNTFNATA-BHDDXSALSA-N 1 0 377.488 3.677 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792349 898468573 /nfs/dbraw/zinc/46/85/73/898468573.db2.gz CQDDUYPDAMBJRH-JOCHJYFZSA-N 1 0 385.508 3.790 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@@H]1C ZINC000569510857 898728954 /nfs/dbraw/zinc/72/89/54/898728954.db2.gz CNWOVCFNBITZKL-HOTGVXAUSA-N 1 0 379.464 3.692 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3ccccc3nc1OC)C2 ZINC001137202186 898798403 /nfs/dbraw/zinc/79/84/03/898798403.db2.gz AHCGDCFSGTXQHZ-FYYLOGMGSA-N 1 0 382.504 3.817 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)c1cccc(OC)c1 ZINC000043755392 898903272 /nfs/dbraw/zinc/90/32/72/898903272.db2.gz OXKVZGMERSMJSW-LAUBAEHRSA-N 1 0 395.503 3.533 20 30 GHEDRO COc1ccc(Sc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)cc1 ZINC000884124003 898978093 /nfs/dbraw/zinc/97/80/93/898978093.db2.gz KIXQXXGJXCVZOY-JXORXQGFSA-N 1 0 393.512 3.924 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](C)C1 ZINC000289697161 914301815 /nfs/dbraw/zinc/30/18/15/914301815.db2.gz GHHGRYDCVJEHQX-KKSFZXQISA-N 1 0 393.491 3.940 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Oc1ccccc1 ZINC000569942668 899034644 /nfs/dbraw/zinc/03/46/44/899034644.db2.gz RRVOYJVWVVHWOU-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000113938036 899045723 /nfs/dbraw/zinc/04/57/23/899045723.db2.gz GUMMKLVIGFKSQN-OAHLLOKOSA-N 1 0 375.538 3.576 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)ccn1 ZINC000289727249 914317148 /nfs/dbraw/zinc/31/71/48/914317148.db2.gz IATDNLLWTIWXBJ-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@]3(C)C(N)=O)sc2C1 ZINC000331909761 899261031 /nfs/dbraw/zinc/26/10/31/899261031.db2.gz IRKJZJRYGTUVCC-RNODOKPDSA-N 1 0 388.537 3.853 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000570366632 899284562 /nfs/dbraw/zinc/28/45/62/899284562.db2.gz BTZQAECTZRZLLG-UHFFFAOYSA-N 1 0 379.552 3.818 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000289781064 914343469 /nfs/dbraw/zinc/34/34/69/914343469.db2.gz LEXYYWIGEDTPMS-INIZCTEOSA-N 1 0 379.464 3.599 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)CC1 ZINC000119278005 899576823 /nfs/dbraw/zinc/57/68/23/899576823.db2.gz LKULDOYBDPOMPI-UHFFFAOYSA-N 1 0 377.916 3.705 20 30 GHEDRO Cc1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1OCC[NH+]1CCCC1 ZINC001136868026 899580625 /nfs/dbraw/zinc/58/06/25/899580625.db2.gz PBLKTJNCSVAYBE-UHFFFAOYSA-N 1 0 384.867 3.642 20 30 GHEDRO C=CCOc1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000119785021 899683836 /nfs/dbraw/zinc/68/38/36/899683836.db2.gz LMSAPBHSPWGSAW-QGZVFWFLSA-N 1 0 380.492 3.994 20 30 GHEDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000332509334 899720833 /nfs/dbraw/zinc/72/08/33/899720833.db2.gz CTXIYZMXRXSWNM-GHTZIAJQSA-N 1 0 397.544 3.540 20 30 GHEDRO N#Cc1cccc2c1CC[C@H]2Nc1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC001171063802 899791551 /nfs/dbraw/zinc/79/15/51/899791551.db2.gz QIPDBXYTMCXLES-OAQYLSRUSA-N 1 0 375.476 3.531 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136935865 899809166 /nfs/dbraw/zinc/80/91/66/899809166.db2.gz WXZIOULWDIHQQF-OAQYLSRUSA-N 1 0 378.463 3.864 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)CC1 ZINC001136962815 899875421 /nfs/dbraw/zinc/87/54/21/899875421.db2.gz ZVUVBQRRPIQJMW-UHFFFAOYSA-N 1 0 385.508 3.784 20 30 GHEDRO Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000824886710 899884923 /nfs/dbraw/zinc/88/49/23/899884923.db2.gz JIMLDWDSSBHGFI-RTWAWAEBSA-N 1 0 399.535 3.761 20 30 GHEDRO N#Cc1nc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)ccc1C(F)(F)F ZINC000333012080 899892340 /nfs/dbraw/zinc/89/23/40/899892340.db2.gz BHZJSQRMLQTCBF-JTQLQIEISA-N 1 0 394.426 3.517 20 30 GHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[NH+]1CCCC1 ZINC000825130993 899997986 /nfs/dbraw/zinc/99/79/86/899997986.db2.gz NBWJYYDIYXJRAU-UHFFFAOYSA-N 1 0 378.929 3.884 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl)C2 ZINC000884436127 900079276 /nfs/dbraw/zinc/07/92/76/900079276.db2.gz WBZNACPJQPWWIQ-LECRGTDLSA-N 1 0 385.939 3.793 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)CC2)c1 ZINC001171082840 900114917 /nfs/dbraw/zinc/11/49/17/900114917.db2.gz OTISXLJQHPFDBX-QGZVFWFLSA-N 1 0 387.314 3.940 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)Cc1ccccc1 ZINC000135262549 900210995 /nfs/dbraw/zinc/21/09/95/900210995.db2.gz PRLYJBFFVGNKAW-LJQANCHMSA-N 1 0 398.482 3.803 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000135309698 900220175 /nfs/dbraw/zinc/22/01/75/900220175.db2.gz JDFNBVZAGIUJOY-IBGZPJMESA-N 1 0 382.439 3.687 20 30 GHEDRO C#Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(Cl)c1 ZINC000885670094 900583749 /nfs/dbraw/zinc/58/37/49/900583749.db2.gz SFYBMHSYTGPLSI-MSOLQXFVSA-N 1 0 384.911 3.507 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844330177 900702458 /nfs/dbraw/zinc/70/24/58/900702458.db2.gz MHBZNUWCQBYCTN-QGZVFWFLSA-N 1 0 388.468 3.736 20 30 GHEDRO CC(C)c1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000136530823 900723432 /nfs/dbraw/zinc/72/34/32/900723432.db2.gz IBYBEQIGSYEMLE-QGZVFWFLSA-O 1 0 383.537 3.662 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844318787 900726708 /nfs/dbraw/zinc/72/67/08/900726708.db2.gz TYWYLLITSZSRBM-WBVHZDCISA-N 1 0 388.468 3.640 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000573997427 900732083 /nfs/dbraw/zinc/73/20/83/900732083.db2.gz ILVGSXYPCZHUCL-MOJGAOKDSA-N 1 0 390.531 3.557 20 30 GHEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844326919 900732630 /nfs/dbraw/zinc/73/26/30/900732630.db2.gz NFNPAKYZCIHTQN-NQIIRXRSSA-N 1 0 397.544 3.596 20 30 GHEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844326922 900732739 /nfs/dbraw/zinc/73/27/39/900732739.db2.gz NFNPAKYZCIHTQN-RXVVDRJESA-N 1 0 397.544 3.596 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC000844354353 900757844 /nfs/dbraw/zinc/75/78/44/900757844.db2.gz IPIORHYUAXCDIX-BDTNDASRSA-N 1 0 398.547 3.822 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC000844354359 900757871 /nfs/dbraw/zinc/75/78/71/900757871.db2.gz IPIORHYUAXCDIX-YPAWHYETSA-N 1 0 398.547 3.822 20 30 GHEDRO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368771 900780677 /nfs/dbraw/zinc/78/06/77/900780677.db2.gz ZVYWQHJYNMYTQZ-LJQANCHMSA-N 1 0 378.428 3.647 20 30 GHEDRO C=CCC(C)(C)C(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001144075723 901039343 /nfs/dbraw/zinc/03/93/43/901039343.db2.gz ULROGXZTYBLAKO-QFIPXVFZSA-N 1 0 380.532 3.768 20 30 GHEDRO COc1ccccc1NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844597363 901062446 /nfs/dbraw/zinc/06/24/46/901062446.db2.gz UFACTOPITPWSMQ-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO Cc1sc(NC(=O)CN2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000575006331 901083665 /nfs/dbraw/zinc/08/36/65/901083665.db2.gz WDXIIOXUHOWFSO-INIZCTEOSA-N 1 0 389.908 3.982 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)nc1 ZINC001144158625 901170504 /nfs/dbraw/zinc/17/05/04/901170504.db2.gz NTZWOMPIDHIGMX-UHFFFAOYSA-N 1 0 398.510 3.506 20 30 GHEDRO C#CCN(C(=O)c1sc(-c2ccc(F)c(F)c2)nc1C)C1CC[NH+](C)CC1 ZINC000886578621 901176912 /nfs/dbraw/zinc/17/69/12/901176912.db2.gz FJRKWKFXGDSHBU-UHFFFAOYSA-N 1 0 389.471 3.566 20 30 GHEDRO C#CCN(C(=O)c1sc(-c2ccc(OCC)cc2)nc1C)C1CC[NH+](C)CC1 ZINC000886585109 901178845 /nfs/dbraw/zinc/17/88/45/901178845.db2.gz IIEFRCVBOGNQGS-UHFFFAOYSA-N 1 0 397.544 3.687 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000844713967 901194114 /nfs/dbraw/zinc/19/41/14/901194114.db2.gz LQVLLLHIHNNGAG-SLFFLAALSA-N 1 0 391.515 3.641 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001137229843 901249870 /nfs/dbraw/zinc/24/98/70/901249870.db2.gz AKIKGZHYLGUXEH-UHFFFAOYSA-N 1 0 384.955 3.680 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000092645306 901504081 /nfs/dbraw/zinc/50/40/81/901504081.db2.gz GENVEOQBJXWDFW-UHFFFAOYSA-N 1 0 391.563 3.570 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1Cl ZINC000093454429 901546884 /nfs/dbraw/zinc/54/68/84/901546884.db2.gz KXJIUELVAKCWNM-IBGZPJMESA-N 1 0 375.900 3.584 20 30 GHEDRO COCCOC[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000093755336 901564526 /nfs/dbraw/zinc/56/45/26/901564526.db2.gz CPCNQXYHKDHQPT-QFIPXVFZSA-N 1 0 380.488 3.622 20 30 GHEDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000844909254 901567882 /nfs/dbraw/zinc/56/78/82/901567882.db2.gz MAUWOGFOADCWFE-MRXNPFEDSA-N 1 0 382.533 3.953 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 ZINC000845003541 901633388 /nfs/dbraw/zinc/63/33/88/901633388.db2.gz UJFARLVRKKSYGQ-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121662076 901654152 /nfs/dbraw/zinc/65/41/52/901654152.db2.gz BIKPMXZXOSLGMJ-QGZVFWFLSA-N 1 0 388.581 3.683 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](CCCc1ccc(Br)cc1)CC2 ZINC001275529368 914575650 /nfs/dbraw/zinc/57/56/50/914575650.db2.gz ZRODNLPOUJUSOY-SFHVURJKSA-N 1 0 391.353 3.786 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 ZINC001171177844 902088852 /nfs/dbraw/zinc/08/88/52/902088852.db2.gz BCUNZCRSEIFETN-IIBYNOLFSA-N 1 0 375.488 3.818 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001171178936 902122174 /nfs/dbraw/zinc/12/21/74/902122174.db2.gz MBEDPEUPPJPBMM-YLJYHZDGSA-N 1 0 399.535 3.637 20 30 GHEDRO Cn1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000333495888 902134766 /nfs/dbraw/zinc/13/47/66/902134766.db2.gz BZFKAVBHINPCIB-RTWAWAEBSA-N 1 0 376.504 3.740 20 30 GHEDRO Cc1sc(N=NCc2ccccc2Cl)nc1-c1cn(CCCC[NH3+])nn1 ZINC000887419363 902254004 /nfs/dbraw/zinc/25/40/04/902254004.db2.gz NNHUUARJAIQTNS-UHFFFAOYSA-N 1 0 389.916 3.548 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000576870837 902321901 /nfs/dbraw/zinc/32/19/01/902321901.db2.gz CKJPFVPRLNNWHP-NSHDSACASA-N 1 0 397.422 3.795 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(C[C@@H](NC(=O)NC)c4cc(C)ccc43)CC2)cc1 ZINC001144572212 902403542 /nfs/dbraw/zinc/40/35/42/902403542.db2.gz UDCBVPCRMHXSJW-HSZRJFAPSA-N 1 0 387.527 3.884 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](COCc4csc(C)n4)CC[C@H]32)cc1 ZINC001144572050 902403665 /nfs/dbraw/zinc/40/36/65/902403665.db2.gz ODYNVBNXBBGDGL-BHDDXSALSA-N 1 0 382.529 3.772 20 30 GHEDRO C#Cc1ccc(C[N@@H+](C)C2CCN(Cc3c(OC)cccc3OC)CC2)cc1 ZINC001144573770 902405127 /nfs/dbraw/zinc/40/51/27/902405127.db2.gz QHDBPRIQPKSIBP-UHFFFAOYSA-N 1 0 378.516 3.782 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000778976975 902441436 /nfs/dbraw/zinc/44/14/36/902441436.db2.gz RQXZZXYDGKFKHI-CABCVRRESA-N 1 0 393.915 3.977 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001171201623 902496550 /nfs/dbraw/zinc/49/65/50/902496550.db2.gz ORPYSMGTZYEYEO-WMZHIEFXSA-N 1 0 375.516 3.703 20 30 GHEDRO C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000846007013 902588827 /nfs/dbraw/zinc/58/88/27/902588827.db2.gz MJTIPUQDKGCBLL-IMFGXOCKSA-N 1 0 387.524 3.559 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1 ZINC000846054862 902640933 /nfs/dbraw/zinc/64/09/33/902640933.db2.gz DOKUVGWXNFIHEN-RZQQEMMASA-N 1 0 380.492 3.939 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc3ccccc3cc2Br)CC1 ZINC000577304087 902664722 /nfs/dbraw/zinc/66/47/22/902664722.db2.gz AUHWTRQZXOOZBG-UHFFFAOYSA-N 1 0 388.309 3.768 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001171213063 902708065 /nfs/dbraw/zinc/70/80/65/902708065.db2.gz TYBQWNUKTJIDTH-FXAWDEMLSA-N 1 0 395.478 3.726 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)/C=C/C(=O)c2ccccc2)CC1 ZINC001144708605 902715105 /nfs/dbraw/zinc/71/51/05/902715105.db2.gz HTBHJOHRTJWPHK-VAWYXSNFSA-N 1 0 380.463 3.688 20 30 GHEDRO CN(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577370301 902718098 /nfs/dbraw/zinc/71/80/98/902718098.db2.gz CZDLIRPXEAPFKI-GMAHTHKFSA-N 1 0 388.515 3.852 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000577418805 902756394 /nfs/dbraw/zinc/75/63/94/902756394.db2.gz KEBMBSWIUFEASJ-NRFANRHFSA-N 1 0 399.579 3.608 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001171217423 902757372 /nfs/dbraw/zinc/75/73/72/902757372.db2.gz PAKSQZPQLSOCKB-QGZVFWFLSA-N 1 0 394.544 3.574 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC001171218685 902820697 /nfs/dbraw/zinc/82/06/97/902820697.db2.gz VWRUJCTZNPCPGY-XXBNENTESA-N 1 0 387.527 3.970 20 30 GHEDRO CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000600724007 902846078 /nfs/dbraw/zinc/84/60/78/902846078.db2.gz RSJKKWVFISJTOF-OAHLLOKOSA-N 1 0 385.335 3.932 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CCOCC1 ZINC000600753131 902877188 /nfs/dbraw/zinc/87/71/88/902877188.db2.gz AAHQSEOXVFGYEP-HNAYVOBHSA-N 1 0 387.911 3.860 20 30 GHEDRO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171233000 903049014 /nfs/dbraw/zinc/04/90/14/903049014.db2.gz YNSDJGYJRYDIAP-HYBUGGRVSA-N 1 0 377.532 3.712 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000264482191 903126303 /nfs/dbraw/zinc/12/63/03/903126303.db2.gz QNQINOCZUNHINE-QGZVFWFLSA-N 1 0 388.581 3.824 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000577894411 903316732 /nfs/dbraw/zinc/31/67/32/903316732.db2.gz GWGSYGKZBHGOTP-SFHVURJKSA-N 1 0 391.490 3.852 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC[C@H]2CCCCO2)c1 ZINC000134206131 903479987 /nfs/dbraw/zinc/47/99/87/903479987.db2.gz NMILIBUUGVMANR-GOSISDBHSA-O 1 0 387.500 3.519 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccc(F)cc3C#N)cc[nH+]2)CC1 ZINC001212836970 903512737 /nfs/dbraw/zinc/51/27/37/903512737.db2.gz NTLBNEQEDUZVKX-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO CC(=O)O[C@@H]1Cc2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC001171277151 903526719 /nfs/dbraw/zinc/52/67/19/903526719.db2.gz LFBGEMQEJAROQT-HSZRJFAPSA-N 1 0 389.499 3.687 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)CC1 ZINC000779060883 903690621 /nfs/dbraw/zinc/69/06/21/903690621.db2.gz HFZFEGRSDJUACM-MRXNPFEDSA-N 1 0 388.556 3.716 20 30 GHEDRO CC1(C)CN([C@H](CNC(=[NH2+])Nc2ccccc2)c2ccc(Cl)cc2)CCO1 ZINC000303387358 914741065 /nfs/dbraw/zinc/74/10/65/914741065.db2.gz BFACHSUIYJWJKA-LJQANCHMSA-N 1 0 386.927 3.919 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@@H]2CCOC2)c1 ZINC000136544344 903792195 /nfs/dbraw/zinc/79/21/95/903792195.db2.gz CBSQLCDDJXPMPS-IBGZPJMESA-O 1 0 397.564 3.773 20 30 GHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000578630504 904018362 /nfs/dbraw/zinc/01/83/62/904018362.db2.gz HKMVMZYMQJMLOJ-FVJLSDCUSA-N 1 0 393.487 3.533 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000151314680 904103645 /nfs/dbraw/zinc/10/36/45/904103645.db2.gz PDONJMAMVFPGGY-KNKQGSTJSA-N 1 0 398.551 3.562 20 30 GHEDRO C[C@H](C#N)c1cccc(C(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c1 ZINC001148615021 904139833 /nfs/dbraw/zinc/13/98/33/904139833.db2.gz HWHPGYJPOBWHQF-MRXNPFEDSA-N 1 0 385.471 3.656 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2F)CC1 ZINC001148616723 904139878 /nfs/dbraw/zinc/13/98/78/904139878.db2.gz ADUOSAKQPQFDPP-MRXNPFEDSA-N 1 0 380.467 3.847 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc([C@H](C)C#N)c2)cc1 ZINC001148617625 904141079 /nfs/dbraw/zinc/14/10/79/904141079.db2.gz HEWRFZYKYWTSFE-QGZVFWFLSA-N 1 0 392.503 3.638 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000578860666 904188637 /nfs/dbraw/zinc/18/86/37/904188637.db2.gz AVPAKWRIIZDLEK-QZNHQXDQSA-N 1 0 385.479 3.804 20 30 GHEDRO COc1cc(N2CCN(C(=O)c3ccc(C(C)(C)CCC#N)cc3)CC2)ccn1 ZINC001148906760 904244784 /nfs/dbraw/zinc/24/47/84/904244784.db2.gz ZIIYPCCHROHVRT-UHFFFAOYSA-N 1 0 392.503 3.634 20 30 GHEDRO C=CCn1c(-c2cnccn2)nn(CN2C[C@H](c3ccccc3)C[C@H]2C)c1=S ZINC000159865600 904246667 /nfs/dbraw/zinc/24/66/67/904246667.db2.gz SNNSIISOBFBWJL-SJLPKXTDSA-N 1 0 392.532 3.893 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)CC1 ZINC001148997762 904263377 /nfs/dbraw/zinc/26/33/77/904263377.db2.gz AXWPNQTUTYUKAQ-UHFFFAOYSA-N 1 0 379.508 3.509 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(CC#N)cc2)[C@H]1c1cccs1 ZINC000579105902 904353104 /nfs/dbraw/zinc/35/31/04/904353104.db2.gz KFYNEDSFXYDJDE-QUCCMNQESA-N 1 0 382.533 3.696 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001171375742 904404795 /nfs/dbraw/zinc/40/47/95/904404795.db2.gz CFIDBMKVPYZITJ-MRXNPFEDSA-N 1 0 377.488 3.998 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C3/CCc4ccc([N+](=O)[O-])cc4C3=O)cc2)CC1 ZINC000773147954 904485077 /nfs/dbraw/zinc/48/50/77/904485077.db2.gz CGRLKXHRGOCRLI-JXAWBTAJSA-N 1 0 377.444 3.559 20 30 GHEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000579345214 904531373 /nfs/dbraw/zinc/53/13/73/904531373.db2.gz SJAQYJGRQOSQFR-ZRCAFCQKSA-N 1 0 388.895 3.512 20 30 GHEDRO N#CC1(N[C@@H]2CCc3cc(F)c(F)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001171463523 904723510 /nfs/dbraw/zinc/72/35/10/904723510.db2.gz UNRQLLIZQWVKHX-HXUWFJFHSA-N 1 0 381.470 3.970 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171536715 904763130 /nfs/dbraw/zinc/76/31/30/904763130.db2.gz VFHGAPLYTNSQTQ-OPAMFIHVSA-N 1 0 392.465 3.994 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171539379 904764949 /nfs/dbraw/zinc/76/49/49/904764949.db2.gz MMFDHRHWDIMLCB-OPAMFIHVSA-N 1 0 392.465 3.994 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)s1 ZINC000826676629 904894115 /nfs/dbraw/zinc/89/41/15/904894115.db2.gz DTDGQVAUZUSSBH-AKCHCHLHSA-N 1 0 394.585 3.912 20 30 GHEDRO C[NH+]1CCN(c2ccccc2C(=O)N(CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001186891171 914855547 /nfs/dbraw/zinc/85/55/47/914855547.db2.gz GAKFXGKLKLKVQY-UHFFFAOYSA-N 1 0 396.922 3.648 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](C)[C@@H]3CCO)sc2C1 ZINC001171835505 905084754 /nfs/dbraw/zinc/08/47/54/905084754.db2.gz ZZTFZTULSCPYML-RKVPGOIHSA-N 1 0 389.565 3.556 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000173792792 905126400 /nfs/dbraw/zinc/12/64/00/905126400.db2.gz RFDBNENMRDUAAQ-ZWKOTPCHSA-N 1 0 388.581 3.683 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001171920606 905149994 /nfs/dbraw/zinc/14/99/94/905149994.db2.gz JONYUECHYCBSIB-YXTQBTIXSA-N 1 0 385.552 3.963 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(F)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000189563474 905164486 /nfs/dbraw/zinc/16/44/86/905164486.db2.gz GQMOEVJCFBOHGL-LEWJYISDSA-N 1 0 394.450 3.805 20 30 GHEDRO C#CCCC1(CC[NH2+]C2CCN(c3ccc(Br)cc3)CC2)N=N1 ZINC001171989892 905201230 /nfs/dbraw/zinc/20/12/30/905201230.db2.gz ILAHXIDBVOMBDS-UHFFFAOYSA-N 1 0 375.314 3.973 20 30 GHEDRO NC(=[NH+]OCc1nnc(-c2ccccc2)o1)c1ccc(N2CCCCC2)cc1 ZINC000174128914 905208311 /nfs/dbraw/zinc/20/83/11/905208311.db2.gz MRIRDMZKTNBHPS-UHFFFAOYSA-N 1 0 377.448 3.564 20 30 GHEDRO CCC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000626737942 905248602 /nfs/dbraw/zinc/24/86/02/905248602.db2.gz WOINWWQACOIJPW-UHFFFAOYSA-N 1 0 378.476 3.747 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000174533937 905292080 /nfs/dbraw/zinc/29/20/80/905292080.db2.gz OSNPAARADYTPKS-FQEVSTJZSA-N 1 0 377.488 3.551 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2c3sccc3OC(C)(C)[C@H]2O)cc(OC)c1O ZINC001202768797 905342908 /nfs/dbraw/zinc/34/29/08/905342908.db2.gz KMFBEXMBOWZTJB-APWZRJJASA-N 1 0 375.490 3.554 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001172182304 905398630 /nfs/dbraw/zinc/39/86/30/905398630.db2.gz KXATUFPFKXNOEY-TZRRMPRUSA-N 1 0 399.538 3.972 20 30 GHEDRO COC(=O)C1(c2ccc(Cl)cc2)CCC(NC(=[NH2+])c2ccc(C#N)cc2)CC1 ZINC001172211959 905414061 /nfs/dbraw/zinc/41/40/61/905414061.db2.gz JQQSHCQKJZKGHC-UHFFFAOYSA-N 1 0 395.890 3.971 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001172303316 905456813 /nfs/dbraw/zinc/45/68/13/905456813.db2.gz BWQMZWBBGDOFEX-LJAMWKNPSA-N 1 0 393.531 3.694 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001172303608 905457333 /nfs/dbraw/zinc/45/73/33/905457333.db2.gz FGJQEJUGFQVUMB-CYFREDJKSA-N 1 0 388.515 3.541 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001172305980 905461710 /nfs/dbraw/zinc/46/17/10/905461710.db2.gz AYPHGVSYNICIIS-LJQANCHMSA-N 1 0 388.515 3.541 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001172307658 905462906 /nfs/dbraw/zinc/46/29/06/905462906.db2.gz PZSXIVQWGCBEAB-HNNXBMFYSA-N 1 0 389.425 3.510 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001172309689 905467210 /nfs/dbraw/zinc/46/72/10/905467210.db2.gz BIQYRWVDXBPTOJ-QGZVFWFLSA-N 1 0 381.907 3.991 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001172309910 905467711 /nfs/dbraw/zinc/46/77/11/905467711.db2.gz WCOPBDBPVSDSQV-LAUBAEHRSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001172290323 905480393 /nfs/dbraw/zinc/48/03/93/905480393.db2.gz ADMOZSSBHMQRJX-YJBOKZPZSA-N 1 0 393.478 3.971 20 30 GHEDRO COC(=O)c1ccc(CN2CCC([NH2+][C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172297099 905482171 /nfs/dbraw/zinc/48/21/71/905482171.db2.gz AUIBDDCXENVUFZ-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1I ZINC001172297310 905484154 /nfs/dbraw/zinc/48/41/54/905484154.db2.gz OEMGRZUJDPHLIR-CYBMUJFWSA-N 1 0 376.241 3.884 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172297525 905484404 /nfs/dbraw/zinc/48/44/04/905484404.db2.gz FYLPLEXFXWIPON-QGZVFWFLSA-N 1 0 379.479 3.770 20 30 GHEDRO CCCCCCC[C@@H](CC)N1Cc2nccn2C[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC001172355311 905524206 /nfs/dbraw/zinc/52/42/06/905524206.db2.gz NUMSPFQCOOBPNG-FGZHOGPDSA-N 1 0 389.632 3.701 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001172356195 905526493 /nfs/dbraw/zinc/52/64/93/905526493.db2.gz VETQCFZKCQCOER-LEWJYISDSA-N 1 0 394.600 3.855 20 30 GHEDRO CCOCC[C@@H](C)[NH2+]CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001172416693 905535110 /nfs/dbraw/zinc/53/51/10/905535110.db2.gz OSIDCXOGGSIYTC-LJQANCHMSA-N 1 0 376.500 3.728 20 30 GHEDRO CCCCCCCC[C@@H](CC)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2 ZINC001172503864 905601822 /nfs/dbraw/zinc/60/18/22/905601822.db2.gz BVEDPIMVDJCFCK-QGZVFWFLSA-N 1 0 376.545 3.660 20 30 GHEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC001172510769 905603353 /nfs/dbraw/zinc/60/33/53/905603353.db2.gz JDLALCYRKIBEHD-ITTUMRLJSA-N 1 0 382.589 3.852 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C(=O)C3)C2)c1 ZINC001172682742 905732898 /nfs/dbraw/zinc/73/28/98/905732898.db2.gz RCAUFDBTKQODSS-FYYLOGMGSA-N 1 0 389.499 3.593 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172717105 905766822 /nfs/dbraw/zinc/76/68/22/905766822.db2.gz PHMQRIRZHDYIJO-HXUWFJFHSA-N 1 0 379.891 3.573 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H](C)CCC(=O)OC(C)C)cc(C#N)c21 ZINC001172761566 905803872 /nfs/dbraw/zinc/80/38/72/905803872.db2.gz SEXYTHFLZVOXLI-CVEARBPZSA-N 1 0 383.492 3.814 20 30 GHEDRO CC(C)c1nccn1Cc1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000176552820 905872738 /nfs/dbraw/zinc/87/27/38/905872738.db2.gz XDXJGGWUMCORAA-UHFFFAOYSA-N 1 0 396.539 3.754 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000299093371 921188006 /nfs/dbraw/zinc/18/80/06/921188006.db2.gz UQMKZTAQPWCFRH-UHFFFAOYSA-N 1 0 399.498 3.968 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2ccc(Cl)cc2)C[C@H]1C#N ZINC001172966198 906027947 /nfs/dbraw/zinc/02/79/47/906027947.db2.gz NACLHVOZMUENHB-HOTGVXAUSA-N 1 0 379.888 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCOc2cccc(Cl)c2)C[C@H]1C#N ZINC001172971727 906035120 /nfs/dbraw/zinc/03/51/20/906035120.db2.gz SLBHIINZSCVXAO-SJORKVTESA-N 1 0 393.915 3.990 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CC[N@H+](CC3CCCCC3)C2)C[C@H]1C#N ZINC001172973394 906037553 /nfs/dbraw/zinc/03/75/53/906037553.db2.gz GPOIAPUSJHVYEF-UFYCRDLUSA-N 1 0 390.572 3.522 20 30 GHEDRO COc1cccc(CC(C)(C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172975065 906040106 /nfs/dbraw/zinc/04/01/06/906040106.db2.gz AXHOEGPYWCAENQ-ROUUACIJSA-N 1 0 387.524 3.898 20 30 GHEDRO COc1cccc(CC(C)(C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172975064 906040743 /nfs/dbraw/zinc/04/07/43/906040743.db2.gz AXHOEGPYWCAENQ-MSOLQXFVSA-N 1 0 387.524 3.898 20 30 GHEDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990055 906053113 /nfs/dbraw/zinc/05/31/13/906053113.db2.gz LNRQWHDVRVJPNQ-PMACEKPBSA-N 1 0 386.540 3.866 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2c3ccc(F)cc3c3c2CC[NH2+]C3)C[C@H]1C#N ZINC001172988480 906053143 /nfs/dbraw/zinc/05/31/43/906053143.db2.gz BPHSBQRJCKBBSW-HOTGVXAUSA-N 1 0 398.482 3.890 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000190615831 906175171 /nfs/dbraw/zinc/17/51/71/906175171.db2.gz PAIHQUCWXOFSGJ-KUHUBIRLSA-N 1 0 398.304 3.772 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000190631777 906184792 /nfs/dbraw/zinc/18/47/92/906184792.db2.gz INYMFAGTQNRBTA-AUUYWEPGSA-N 1 0 398.304 3.772 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](C3CCC(Oc4ccccc4)CC3)CC2)nc1 ZINC001173203518 906287349 /nfs/dbraw/zinc/28/73/49/906287349.db2.gz WXUFJXXUEDILQS-UHFFFAOYSA-N 1 0 376.504 3.856 20 30 GHEDRO CCCCCCC[C@@H](C)C[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000779339801 906316762 /nfs/dbraw/zinc/31/67/62/906316762.db2.gz FFBPLAVNOZRRHU-MRXNPFEDSA-N 1 0 398.617 3.766 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1ccc(C#N)cc1 ZINC000178333736 906327357 /nfs/dbraw/zinc/32/73/57/906327357.db2.gz URDPIEQRTDXNDZ-QFIPXVFZSA-N 1 0 399.498 3.691 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)CC1 ZINC001173322027 906370065 /nfs/dbraw/zinc/37/00/65/906370065.db2.gz WYBDWZFJHBEOMK-YDPRHXJPSA-N 1 0 383.536 3.552 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)CC1 ZINC001173320674 906370389 /nfs/dbraw/zinc/37/03/89/906370389.db2.gz CFILVZDUVFXRAX-ZQHBMWIYSA-N 1 0 384.564 3.518 20 30 GHEDRO N#CCC1CCC([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC001173328114 906376264 /nfs/dbraw/zinc/37/62/64/906376264.db2.gz OANRYAXGHQOHLK-PXCJXSSVSA-N 1 0 397.338 3.730 20 30 GHEDRO CCn1ncc2c1C[N@@H+](C1CCC(CC#N)CC1)C[C@H]2COc1cccnc1 ZINC001173336016 906379154 /nfs/dbraw/zinc/37/91/54/906379154.db2.gz KLMKXAYTYBBXIC-XBMUEBEBSA-N 1 0 379.508 3.749 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C1 ZINC001173359345 906395776 /nfs/dbraw/zinc/39/57/76/906395776.db2.gz MEFBEBBDIJSDSH-OAQYLSRUSA-N 1 0 399.498 3.991 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc(C)cc1 ZINC000178903920 906397793 /nfs/dbraw/zinc/39/77/93/906397793.db2.gz GSTYFJJVIDBKOL-UHFFFAOYSA-O 1 0 385.987 3.889 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]CCCCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC001173387624 906416303 /nfs/dbraw/zinc/41/63/03/906416303.db2.gz ZFWGWOIATHEVJI-GVDBMIGSSA-N 1 0 380.529 3.738 20 30 GHEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2(C#N)CCSCC2)c1 ZINC000179089725 906425645 /nfs/dbraw/zinc/42/56/45/906425645.db2.gz HYOFVGMYGKMEGX-UHFFFAOYSA-N 1 0 379.529 3.838 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(n3cc(CC[NH3+])c4cc(F)ccc43)CC2)cc1 ZINC001173423807 906460203 /nfs/dbraw/zinc/46/02/03/906460203.db2.gz MXMKWEMIVWGBQR-UHFFFAOYSA-N 1 0 390.462 3.631 20 30 GHEDRO COc1ccc(Cl)cc1C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424558 906460421 /nfs/dbraw/zinc/46/04/21/906460421.db2.gz ZHILCIKNBWALIW-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](c3cccnc3Cl)C3CC3)CC2)cc1 ZINC001173429972 906466608 /nfs/dbraw/zinc/46/66/08/906466608.db2.gz ZPUVKKQEEOXAAX-FQEVSTJZSA-N 1 0 394.906 3.952 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCOc4ccc(Cl)cc43)CC2)cc1 ZINC001173429584 906466637 /nfs/dbraw/zinc/46/66/37/906466637.db2.gz ZXWIAJAEIAOOPP-HXUWFJFHSA-N 1 0 395.890 3.930 20 30 GHEDRO C[NH2+]CCc1cn(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2ccccc12 ZINC001173434891 906470575 /nfs/dbraw/zinc/47/05/75/906470575.db2.gz SCNOIXHZQMRTME-UHFFFAOYSA-N 1 0 386.499 3.752 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1Cc3cc(F)c(F)cc3C1)CC2 ZINC001173479682 906478668 /nfs/dbraw/zinc/47/86/68/906478668.db2.gz LMTPQDWFAYWZEX-UHFFFAOYSA-N 1 0 390.474 3.933 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H](C)CCCCC(=O)OC)C2)CC1 ZINC001173444808 906484418 /nfs/dbraw/zinc/48/44/18/906484418.db2.gz CDUYSEUQTUHJJH-GOSISDBHSA-N 1 0 380.529 3.609 20 30 GHEDRO COC(=O)CCCC[C@@H](C)[NH2+][C@@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001173446193 906485881 /nfs/dbraw/zinc/48/58/81/906485881.db2.gz UOMLZMASLVKYIO-CVEARBPZSA-N 1 0 383.492 3.816 20 30 GHEDRO C=CC[N@H+](C1CCCCC1)[C@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173514400 906521898 /nfs/dbraw/zinc/52/18/98/906521898.db2.gz MRWBKJHQYHBFCJ-LEWJYISDSA-N 1 0 384.520 3.654 20 30 GHEDRO C#CC[NH+](CC#C)C1CCC(OCOC)(c2ccc(Br)cc2)CC1 ZINC001173564729 906535170 /nfs/dbraw/zinc/53/51/70/906535170.db2.gz ZUQZDVNGFIJCHF-UHFFFAOYSA-N 1 0 390.321 3.776 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCC3(C[C@H]3C(=O)OCC)CC1)C2 ZINC001173613809 906540579 /nfs/dbraw/zinc/54/05/79/906540579.db2.gz YNDXVEUUHJELSW-WIXDKPBKSA-N 1 0 391.552 3.572 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)CC1 ZINC001173594856 906549633 /nfs/dbraw/zinc/54/96/33/906549633.db2.gz MZGKYRUHISQCOX-KRLBEQFCSA-N 1 0 383.536 3.942 20 30 GHEDRO CC1(C#N)CCC([NH+]2CCC(Oc3ncc(Br)cn3)CC2)CC1 ZINC001173599208 906552760 /nfs/dbraw/zinc/55/27/60/906552760.db2.gz IDYPDIUYCIZZFT-UHFFFAOYSA-N 1 0 379.302 3.555 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[C@H](CC(=O)OCC)C3)C2)CC1 ZINC001173639834 906623643 /nfs/dbraw/zinc/62/36/43/906623643.db2.gz ISNZEEZUQKKQCK-RBUKOAKNSA-N 1 0 392.540 3.609 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CCN(Cc3ccccc3C#N)CC2)cc1 ZINC001173718794 906668987 /nfs/dbraw/zinc/66/89/87/906668987.db2.gz FMYBNZBFLWXXNM-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000180064185 906678878 /nfs/dbraw/zinc/67/88/78/906678878.db2.gz RVTKYGUABAWJES-DOTOQJQBSA-N 1 0 384.505 3.998 20 30 GHEDRO O=C(NCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1)C1N=CC=CC1=O ZINC000180177001 906707339 /nfs/dbraw/zinc/70/73/39/906707339.db2.gz QXQMHSOQRREQJX-QCPHZMBFSA-N 1 0 380.275 3.561 20 30 GHEDRO O=C(NCC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21)C1N=CC=CC1=O ZINC000180870235 906866102 /nfs/dbraw/zinc/86/61/02/906866102.db2.gz GHYVKYPMMMXEKU-JITTUONFSA-N 1 0 386.304 3.548 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000180985193 906889713 /nfs/dbraw/zinc/88/97/13/906889713.db2.gz KPDLVVMCUMLEAM-UHFFFAOYSA-N 1 0 378.438 3.757 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000181224507 906948100 /nfs/dbraw/zinc/94/81/00/906948100.db2.gz MIYAFWNFGWBQIU-QFBILLFUSA-N 1 0 383.517 3.933 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000181303354 906970462 /nfs/dbraw/zinc/97/04/62/906970462.db2.gz WMYKNJBHSRAFMG-QGZVFWFLSA-N 1 0 393.491 3.763 20 30 GHEDRO COc1ccc(Cn2cc(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)c(C)n2)cc1 ZINC001174577359 907095605 /nfs/dbraw/zinc/09/56/05/907095605.db2.gz YLPYLXKDWSAGFT-UHFFFAOYSA-N 1 0 393.516 3.913 20 30 GHEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N(C)C)cc1OC ZINC000181918127 907100749 /nfs/dbraw/zinc/10/07/49/907100749.db2.gz SXVAQBDPFUTVEY-OXJNMPFZSA-N 1 0 383.492 3.560 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559540 907228972 /nfs/dbraw/zinc/22/89/72/907228972.db2.gz XFRIXFIKVTXHOE-UZUQRXQVSA-N 1 0 392.503 3.644 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3COC4(CCCC4)O3)c2)c1 ZINC000773413510 907247538 /nfs/dbraw/zinc/24/75/38/907247538.db2.gz HJYOSEHONIPSJR-QFIPXVFZSA-N 1 0 378.472 3.913 20 30 GHEDRO CN(C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1(C#N)CCCCC1 ZINC000192102931 907408129 /nfs/dbraw/zinc/40/81/29/907408129.db2.gz FYGJUMXYJWNVHC-PKOBYXMFSA-N 1 0 393.890 3.584 20 30 GHEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000773473341 907431973 /nfs/dbraw/zinc/43/19/73/907431973.db2.gz BEZQQTGEAFZWPV-PXNSSMCTSA-N 1 0 393.478 3.525 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 ZINC000192242425 907557765 /nfs/dbraw/zinc/55/77/65/907557765.db2.gz OMEOMVSFYZSGJU-OAQYLSRUSA-N 1 0 389.430 3.848 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)ccc1OC ZINC000631242709 907643743 /nfs/dbraw/zinc/64/37/43/907643743.db2.gz SFMRPUROXXHCSD-UHFFFAOYSA-N 1 0 399.560 3.888 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)s2)cc1 ZINC000184788501 907657688 /nfs/dbraw/zinc/65/76/88/907657688.db2.gz HKFZTVDZSWLRDJ-ZSEKCTLFSA-N 1 0 398.532 3.586 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3c(C#N)cnn3-c3ccc(C)cc3)cc2)CC1 ZINC001175779846 907740136 /nfs/dbraw/zinc/74/01/36/907740136.db2.gz ZQGBMSVXXOILKH-UHFFFAOYSA-N 1 0 386.503 3.938 20 30 GHEDRO N#Cc1cc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)ccc1C1CC1 ZINC001176012714 907881425 /nfs/dbraw/zinc/88/14/25/907881425.db2.gz YYFFQMXEPJDDFF-UHFFFAOYSA-N 1 0 389.499 3.892 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000187631732 908117407 /nfs/dbraw/zinc/11/74/07/908117407.db2.gz XDPOTFXUIVOTTG-OAHLLOKOSA-N 1 0 377.357 3.518 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COc1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187782264 908137825 /nfs/dbraw/zinc/13/78/25/908137825.db2.gz QMPCWBKHLPYRAB-UWJYYQICSA-N 1 0 390.430 3.570 20 30 GHEDRO CC(C)CC[C@H](O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176687725 908212429 /nfs/dbraw/zinc/21/24/29/908212429.db2.gz LXPQUIJNNOMXIJ-HBNTYKKESA-N 1 0 383.323 3.886 20 30 GHEDRO O=C(C[NH2+]C1(C2CCCCC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001176842206 908273653 /nfs/dbraw/zinc/27/36/53/908273653.db2.gz QTAUCNHCRCNYAE-UHFFFAOYSA-N 1 0 378.438 3.876 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001176850825 908294174 /nfs/dbraw/zinc/29/41/74/908294174.db2.gz ZOFKEUQCIDCRBF-GOSISDBHSA-N 1 0 398.890 3.546 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634372883 908695560 /nfs/dbraw/zinc/69/55/60/908695560.db2.gz DGQRFIUBIHLIQY-UHFFFAOYSA-N 1 0 383.540 3.687 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000773698868 908696489 /nfs/dbraw/zinc/69/64/89/908696489.db2.gz DIBDFYRDDVEVNS-PCCBWWKXSA-N 1 0 383.536 3.769 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]CC3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000192243109 908742291 /nfs/dbraw/zinc/74/22/91/908742291.db2.gz TXBCMDKSGZLYHK-VJFUWPCTSA-N 1 0 379.426 3.617 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001177912533 908800291 /nfs/dbraw/zinc/80/02/91/908800291.db2.gz QTFDSRVWJBKGKV-HBMCJLEFSA-N 1 0 393.556 3.801 20 30 GHEDRO N#CC(CCN1CC[NH+](C[C@H]2CCOC2)CC1)(c1ccccc1)c1ccccc1 ZINC000193063045 908848338 /nfs/dbraw/zinc/84/83/38/908848338.db2.gz CHOPFYYNTUVEDM-JOCHJYFZSA-N 1 0 389.543 3.540 20 30 GHEDRO N#CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000194894431 908937746 /nfs/dbraw/zinc/93/77/46/908937746.db2.gz KZZROJJFGSWIIH-UHFFFAOYSA-N 1 0 377.488 3.895 20 30 GHEDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000266145871 909019609 /nfs/dbraw/zinc/01/96/09/909019609.db2.gz ISYRYTQWYRGVAE-QGZVFWFLSA-N 1 0 384.476 3.943 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC001178647592 909166305 /nfs/dbraw/zinc/16/63/05/909166305.db2.gz NEWYNCIKLBFACP-SFHVURJKSA-N 1 0 377.326 3.568 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1c(C#N)cnnc1-c1ccccc1 ZINC001178723426 909187450 /nfs/dbraw/zinc/18/74/50/909187450.db2.gz JAUFOXKXGANKGG-DYESRHJHSA-N 1 0 397.482 3.722 20 30 GHEDRO C#CCN(C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC001178827215 909249391 /nfs/dbraw/zinc/24/93/91/909249391.db2.gz MPDPNKXBGPUVEE-UHFFFAOYSA-N 1 0 386.543 3.952 20 30 GHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001180152716 909991072 /nfs/dbraw/zinc/99/10/72/909991072.db2.gz BRQOPAQRDUZGOS-UHFFFAOYSA-N 1 0 391.924 3.517 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)N[C@H](C)CC)cc1 ZINC000299665018 921561633 /nfs/dbraw/zinc/56/16/33/921561633.db2.gz YMBTXNFGGZMHAY-CQSZACIVSA-O 1 0 385.509 3.592 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC001181044621 910500180 /nfs/dbraw/zinc/50/01/80/910500180.db2.gz WNCWVHNKWOVGHX-MHTWAQMVSA-N 1 0 384.520 3.898 20 30 GHEDRO C#CC[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000270451989 910572494 /nfs/dbraw/zinc/57/24/94/910572494.db2.gz SHDWQKQBSYBLDU-PGRDOPGGSA-N 1 0 376.504 3.671 20 30 GHEDRO N#Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1F ZINC001181194456 910604224 /nfs/dbraw/zinc/60/42/24/910604224.db2.gz MNEHMCHCHFKLOC-MZADTFQBSA-N 1 0 377.463 3.552 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)Nc2cccc(C#N)n2)C1 ZINC001181342811 910698219 /nfs/dbraw/zinc/69/82/19/910698219.db2.gz WSMDARBUFMSNBS-DLBZAZTESA-N 1 0 384.430 3.684 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)Nc1cccc(C#N)c1)CC2 ZINC001202783096 910705864 /nfs/dbraw/zinc/70/58/64/910705864.db2.gz KPPRVBLDNGBTBB-UHFFFAOYSA-N 1 0 389.503 3.862 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000639875702 910713135 /nfs/dbraw/zinc/71/31/35/910713135.db2.gz RZFFTCIQSFESGX-NRFANRHFSA-N 1 0 397.544 3.792 20 30 GHEDRO Cc1cccc(N(C(=O)CC2(C#N)CCCCC2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001181346382 910740111 /nfs/dbraw/zinc/74/01/11/910740111.db2.gz QLVPIZWEHOHCLS-REWPJTCUSA-N 1 0 381.520 3.713 20 30 GHEDRO N#Cc1ccc(CN2CCCN(Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000271051430 910769098 /nfs/dbraw/zinc/76/90/98/910769098.db2.gz WLFIEVBYBUMJRS-HXUWFJFHSA-N 1 0 382.533 3.574 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1 ZINC000246943303 910780403 /nfs/dbraw/zinc/78/04/03/910780403.db2.gz HSGPPSSCDDPYME-CEXWTWQISA-N 1 0 379.504 3.558 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001181436314 910789073 /nfs/dbraw/zinc/78/90/73/910789073.db2.gz PBUPVFTUERXVOI-RDJZCZTQSA-N 1 0 377.435 3.780 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1)C(C)C ZINC001181577669 910846859 /nfs/dbraw/zinc/84/68/59/910846859.db2.gz VWYABNTZNHNHCH-SFHVURJKSA-N 1 0 385.460 3.791 20 30 GHEDRO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](CCO[C@@H](C)C#N)C3)cc1 ZINC000801920471 921625564 /nfs/dbraw/zinc/62/55/64/921625564.db2.gz QCCRIRYEXQSFDN-KRWDZBQOSA-N 1 0 378.476 3.926 20 30 GHEDRO C[C@H](C#N)OCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000801939187 921653818 /nfs/dbraw/zinc/65/38/18/921653818.db2.gz NLBZOHMEWJCPRJ-UZLBHIALSA-N 1 0 383.492 3.924 20 30 GHEDRO CCCC[N@H+](CC)[C@@H](C(=O)Nc1cc(C#N)c(C#N)cc1N)c1ccccc1 ZINC001182238001 911356388 /nfs/dbraw/zinc/35/63/88/911356388.db2.gz ZHUOBMXFLAZPBC-OAQYLSRUSA-N 1 0 375.476 3.814 20 30 GHEDRO C=CCn1c(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccncc1 ZINC000283123845 911379139 /nfs/dbraw/zinc/37/91/39/911379139.db2.gz SRNFZIMQDKRYOS-LJQANCHMSA-N 1 0 377.517 3.893 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2nc3ncccc3cc2C#N)C1 ZINC001182316624 911446263 /nfs/dbraw/zinc/44/62/63/911446263.db2.gz NCPBOHCUEDLUCF-IBGZPJMESA-N 1 0 385.471 3.661 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283676951 911610025 /nfs/dbraw/zinc/61/00/25/911610025.db2.gz RQIYUPUDEAAMFV-UHFFFAOYSA-N 1 0 383.540 3.538 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000092644524 911672905 /nfs/dbraw/zinc/67/29/05/911672905.db2.gz TVPZNHFRHCUJJM-UHFFFAOYSA-N 1 0 396.556 3.721 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c[nH]nc3-c3cccs3)CC2)nc1 ZINC000092854376 911863194 /nfs/dbraw/zinc/86/31/94/911863194.db2.gz RPUUJCNFVMEJPR-UHFFFAOYSA-N 1 0 379.489 3.885 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NC2(C)CC2)cc1 ZINC000284589340 911939336 /nfs/dbraw/zinc/93/93/36/911939336.db2.gz XVQWZTPTMUVIQF-UHFFFAOYSA-O 1 0 381.521 3.648 20 30 GHEDRO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000093078612 912048148 /nfs/dbraw/zinc/04/81/48/912048148.db2.gz WCIMGDUQTANTDL-MOPGFXCFSA-N 1 0 379.504 3.865 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248415777 912068842 /nfs/dbraw/zinc/06/88/42/912068842.db2.gz OOOGPTRCWQYIKA-LMMKCTJWSA-N 1 0 378.476 3.762 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)o3)CC2)C1=O ZINC001275571684 914897779 /nfs/dbraw/zinc/89/77/79/914897779.db2.gz NSHNMBCOIDSHJD-SFHVURJKSA-N 1 0 394.313 3.550 20 30 GHEDRO C[C@@H]1[C@H](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186945422 914910021 /nfs/dbraw/zinc/91/00/21/914910021.db2.gz ASKJMVZPQGWLDQ-GFRNBQLOSA-N 1 0 391.490 3.949 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCc2cc(Cl)c3c(c2)OCCO3)cc1Cl ZINC000303788195 915129099 /nfs/dbraw/zinc/12/90/99/915129099.db2.gz UBCJONYWVHRTKL-UHFFFAOYSA-N 1 0 396.274 3.743 20 30 GHEDRO [NH2+]=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303793073 915130837 /nfs/dbraw/zinc/13/08/37/915130837.db2.gz YYQRXWLYVLKCRY-OAHLLOKOSA-N 1 0 382.386 3.742 20 30 GHEDRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2cc(OC)ccc2OC)c1 ZINC000303867555 915225702 /nfs/dbraw/zinc/22/57/02/915225702.db2.gz AARFCLMJGFHZAA-CQSZACIVSA-N 1 0 384.480 3.615 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCCS(=O)(=O)Cc1ccccc1 ZINC000303873121 915231279 /nfs/dbraw/zinc/23/12/79/915231279.db2.gz CFSMOBMVMLWYKA-UHFFFAOYSA-N 1 0 387.549 3.543 20 30 GHEDRO CCOc1ccc(Oc2cc(CNC(=[NH2+])NCCc3ccccc3)ccn2)cc1 ZINC000303876381 915235575 /nfs/dbraw/zinc/23/55/75/915235575.db2.gz DZSIYENMWBMNER-UHFFFAOYSA-N 1 0 390.487 3.920 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1C ZINC000303879043 915238194 /nfs/dbraw/zinc/23/81/94/915238194.db2.gz GKDARCYVMMXRJF-HXUWFJFHSA-N 1 0 386.927 3.757 20 30 GHEDRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c1 ZINC000303896847 915302020 /nfs/dbraw/zinc/30/20/20/915302020.db2.gz QGLRRHVKZJVJRB-OAHLLOKOSA-N 1 0 396.491 3.759 20 30 GHEDRO CC(C)CC(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c1 ZINC000303903351 915306200 /nfs/dbraw/zinc/30/62/00/915306200.db2.gz YILPECROQDBBKL-UHFFFAOYSA-N 1 0 396.491 3.759 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NCC(=O)Nc2cc(Br)ccc2C)cc1 ZINC000303972083 915343437 /nfs/dbraw/zinc/34/34/37/915343437.db2.gz FMJVCWUMBGAPQA-UHFFFAOYSA-N 1 0 389.297 3.685 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(COC(C)(C)C)c2)cc1OC ZINC000303976748 915345408 /nfs/dbraw/zinc/34/54/08/915345408.db2.gz KNOSUXOZTFDTSW-UHFFFAOYSA-N 1 0 399.535 3.666 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1OCC ZINC000415135360 915442776 /nfs/dbraw/zinc/44/27/76/915442776.db2.gz JEBSVFCPOJRXLQ-LJQANCHMSA-N 1 0 395.341 3.741 20 30 GHEDRO CN(C)C(NCCc1nc(-c2ccc(Cl)cc2)no1)=[NH+]Cc1ccccc1 ZINC000304486091 915525241 /nfs/dbraw/zinc/52/52/41/915525241.db2.gz LQXMVHORNMQBGH-UHFFFAOYSA-N 1 0 383.883 3.640 20 30 GHEDRO CN(C)C(NCCc1nc(-c2cccc(Cl)c2)no1)=[NH+]Cc1ccccc1 ZINC000304512277 915526822 /nfs/dbraw/zinc/52/68/22/915526822.db2.gz XHQUFYLJKIXCHC-UHFFFAOYSA-N 1 0 383.883 3.640 20 30 GHEDRO COc1ccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c(OC2CCCC2)c1 ZINC000304637271 915564138 /nfs/dbraw/zinc/56/41/38/915564138.db2.gz BFWBVIDJERYNFU-UHFFFAOYSA-N 1 0 399.491 3.961 20 30 GHEDRO CCc1nc(CN2CCC(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)CC2)cs1 ZINC000304765841 915700591 /nfs/dbraw/zinc/70/05/91/915700591.db2.gz ZVPZHLJWMMTBPQ-UHFFFAOYSA-N 1 0 397.592 3.833 20 30 GHEDRO COCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304942360 915793805 /nfs/dbraw/zinc/79/38/05/915793805.db2.gz NWKJKDHGPQECHW-UHFFFAOYSA-N 1 0 397.397 3.846 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](CNC(=[NH2+])Nc3cc(C)cc(C)c3)C2)c1 ZINC000305013659 915835330 /nfs/dbraw/zinc/83/53/30/915835330.db2.gz LGPZPYNKRRPEPX-QGZVFWFLSA-N 1 0 382.508 3.574 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)o1 ZINC000292828170 915864476 /nfs/dbraw/zinc/86/44/76/915864476.db2.gz AJDZNZBRRBZHKU-UHFFFAOYSA-N 1 0 393.256 3.934 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C)cc2O[C@@H]2CCOC2)cc1Cl ZINC000305061827 915880614 /nfs/dbraw/zinc/88/06/14/915880614.db2.gz QDSOLSRRQGOPDY-MRXNPFEDSA-N 1 0 389.883 3.752 20 30 GHEDRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)c1cccc(CC#N)c1 ZINC001188682396 916106074 /nfs/dbraw/zinc/10/60/74/916106074.db2.gz NPQOTJXWEBEKDE-UHFFFAOYSA-N 1 0 392.503 3.544 20 30 GHEDRO COc1ccc(COCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000305771253 916369563 /nfs/dbraw/zinc/36/95/63/916369563.db2.gz YWPSLRWMUOXFRH-UHFFFAOYSA-N 1 0 383.370 3.537 20 30 GHEDRO CN(C(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)C1CC1 ZINC000305805481 916447097 /nfs/dbraw/zinc/44/70/97/916447097.db2.gz GERVFFSAJVRLBZ-SFHVURJKSA-N 1 0 388.968 3.910 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1 ZINC001189251652 916497305 /nfs/dbraw/zinc/49/73/05/916497305.db2.gz AWCJMFLGDQNTRC-UHFFFAOYSA-N 1 0 393.535 3.923 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000294080491 916572076 /nfs/dbraw/zinc/57/20/76/916572076.db2.gz IKRKHLNEKPTHQD-GJZGRUSLSA-N 1 0 394.441 3.699 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2c[nH]nc2-c2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001189703797 916847839 /nfs/dbraw/zinc/84/78/39/916847839.db2.gz VGQINMKCQJAUBP-MEMLXQNLSA-N 1 0 399.498 3.861 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000294723236 916948595 /nfs/dbraw/zinc/94/85/95/916948595.db2.gz VHMXZQOGYGXKMP-UHFFFAOYSA-N 1 0 375.669 3.622 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000775354726 917133362 /nfs/dbraw/zinc/13/33/62/917133362.db2.gz WTXZYIALZCXPEQ-CQSZACIVSA-N 1 0 388.389 3.806 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccccc2-n2ccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001190113558 917134739 /nfs/dbraw/zinc/13/47/39/917134739.db2.gz KMMZETFGYOXJRL-MEMLXQNLSA-N 1 0 399.498 3.656 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775398055 917407352 /nfs/dbraw/zinc/40/73/52/917407352.db2.gz DVADOLZTYQTGDP-HXUWFJFHSA-N 1 0 384.401 3.527 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000362798136 917424454 /nfs/dbraw/zinc/42/44/54/917424454.db2.gz RXDIDWNZLZWIOO-PKOBYXMFSA-N 1 0 378.476 3.716 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295819191 917522755 /nfs/dbraw/zinc/52/27/55/917522755.db2.gz BRJNDQQGEDMNBA-TYPHKJRUSA-N 1 0 395.551 3.662 20 30 GHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000796465317 917558217 /nfs/dbraw/zinc/55/82/17/917558217.db2.gz JIXUXUGFIIKBFI-OAQYLSRUSA-N 1 0 393.487 3.575 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc([C@H](C)C#N)cc3)cc2)CC1 ZINC001190849124 917599856 /nfs/dbraw/zinc/59/98/56/917599856.db2.gz AWZLQHKINGBAJO-GOSISDBHSA-N 1 0 376.504 3.703 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000651517392 917634323 /nfs/dbraw/zinc/63/43/23/917634323.db2.gz AXIGNIGUVATLOM-IBGZPJMESA-N 1 0 379.552 3.560 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000295948898 917648552 /nfs/dbraw/zinc/64/85/52/917648552.db2.gz JVFAFRJJHSFJAG-FQEVSTJZSA-N 1 0 399.514 3.557 20 30 GHEDRO N#Cc1ccc(OCCC[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000796525343 918067297 /nfs/dbraw/zinc/06/72/97/918067297.db2.gz JWXLINYBCZHHEN-KRWDZBQOSA-N 1 0 380.366 3.549 20 30 GHEDRO Cc1cc(F)ccc1N(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(C#N)cc1 ZINC001191853782 918236321 /nfs/dbraw/zinc/23/63/21/918236321.db2.gz QOQXODLDWONMPX-SZPZYZBQSA-N 1 0 379.479 3.876 20 30 GHEDRO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000796574761 918289872 /nfs/dbraw/zinc/28/98/72/918289872.db2.gz ZQYIZESDMYESRU-WOJBJXKFSA-N 1 0 391.556 3.810 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)CC1 ZINC000796602689 918785960 /nfs/dbraw/zinc/78/59/60/918785960.db2.gz NUOBBFQILFOLFQ-UHFFFAOYSA-N 1 0 393.453 3.523 20 30 GHEDRO C[C@@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCC12CCOCC2 ZINC000363792654 918868469 /nfs/dbraw/zinc/86/84/69/918868469.db2.gz FZQKCXDVVIUZQE-HNNXBMFYSA-N 1 0 387.549 3.718 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000796610770 918922291 /nfs/dbraw/zinc/92/22/91/918922291.db2.gz MYRWMUKQJZXEQV-UHFFFAOYSA-N 1 0 385.533 3.654 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3sc(NC(C)(C)C)nc3Cl)C2)C1=O ZINC001275869484 919026255 /nfs/dbraw/zinc/02/62/55/919026255.db2.gz YVRBHMUQSAKLBM-SFHVURJKSA-N 1 0 382.961 3.617 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494270 919391372 /nfs/dbraw/zinc/39/13/72/919391372.db2.gz DBYIWRBYECVIQS-HSZRJFAPSA-N 1 0 398.551 3.774 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000114685425 919409339 /nfs/dbraw/zinc/40/93/39/919409339.db2.gz RPHCZSLSGURCNC-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1OCCCC#N ZINC000116366300 919504205 /nfs/dbraw/zinc/50/42/05/919504205.db2.gz GEHRSVXTZGWNLL-OALUTQOASA-N 1 0 387.524 3.551 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1OCCCC#N ZINC000116366303 919504521 /nfs/dbraw/zinc/50/45/21/919504521.db2.gz GEHRSVXTZGWNLL-RTBURBONSA-N 1 0 387.524 3.551 20 30 GHEDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000116879036 919522505 /nfs/dbraw/zinc/52/25/05/919522505.db2.gz DUYOFWLCZKHAHF-DYESRHJHSA-N 1 0 380.488 3.881 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000119863046 919661931 /nfs/dbraw/zinc/66/19/31/919661931.db2.gz WEEFVTULQHXUJC-CVDCTZTESA-N 1 0 391.515 3.744 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(Br)c3)C2)C1=O ZINC001275965093 920328596 /nfs/dbraw/zinc/32/85/96/920328596.db2.gz CKCQURZPWBYPAJ-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO C=CCN1CC2(CCC1=O)CCN(Cc1ccc(F)c(Br)c1)CC2 ZINC001275966211 920347148 /nfs/dbraw/zinc/34/71/48/920347148.db2.gz RXKOYZMIEMBJOI-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[C@H](C)C1 ZINC000298377683 920464459 /nfs/dbraw/zinc/46/44/59/920464459.db2.gz DGXLEEYCPGLUJL-RBSFLKMASA-N 1 0 375.538 3.572 20 30 GHEDRO COc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000365392011 920732290 /nfs/dbraw/zinc/73/22/90/920732290.db2.gz FWCNVFFTHICIOP-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000802135015 921851194 /nfs/dbraw/zinc/85/11/94/921851194.db2.gz LYJBAZJULBFAKL-JOCHJYFZSA-N 1 0 394.471 3.811 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCC3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000367615850 922231269 /nfs/dbraw/zinc/23/12/69/922231269.db2.gz MLVKZGGMAUKFEZ-UHFFFAOYSA-N 1 0 394.485 3.781 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000802714210 922354225 /nfs/dbraw/zinc/35/42/25/922354225.db2.gz HNIHOSNNUJUFQL-ROUUACIJSA-N 1 0 394.519 3.619 20 30 GHEDRO C[NH+]1CCC(OCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)CC1 ZINC000903141279 922801896 /nfs/dbraw/zinc/80/18/96/922801896.db2.gz LPOJECMBENHNRH-UHFFFAOYSA-N 1 0 397.906 3.856 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3cc(C)ccn3)c2CCC)CC1 ZINC000368831576 922905453 /nfs/dbraw/zinc/90/54/53/922905453.db2.gz ARCUFNKRXNSJTN-UHFFFAOYSA-N 1 0 396.539 3.690 20 30 GHEDRO CCCc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000368953637 923004819 /nfs/dbraw/zinc/00/48/19/923004819.db2.gz KGHMSQGIICETMW-WMZOPIPTSA-N 1 0 394.523 3.643 20 30 GHEDRO CCCc1c(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cnn1-c1cccc(C#N)c1 ZINC000368956713 923010479 /nfs/dbraw/zinc/01/04/79/923010479.db2.gz UBWVYTWXNZSUPN-SFHVURJKSA-N 1 0 394.523 3.502 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000369203806 923202323 /nfs/dbraw/zinc/20/23/23/923202323.db2.gz CXERHBZWBQZESH-LPHOPBHVSA-N 1 0 387.549 3.816 20 30 GHEDRO N#Cc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1F ZINC000803906467 923364525 /nfs/dbraw/zinc/36/45/25/923364525.db2.gz KLAVPSVICLFZEZ-SFHVURJKSA-N 1 0 388.389 3.898 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(C3(C#N)CCSCC3)n2)cc1 ZINC000903977721 923445190 /nfs/dbraw/zinc/44/51/90/923445190.db2.gz UNHJVLWISZFLJD-UHFFFAOYSA-N 1 0 386.521 3.746 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000369617735 923489166 /nfs/dbraw/zinc/48/91/66/923489166.db2.gz QWHDQFYDDGKLOK-QXATTWAWSA-N 1 0 386.459 3.513 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(OCC#N)cc1 ZINC000369985230 923783082 /nfs/dbraw/zinc/78/30/82/923783082.db2.gz NRZOZGZLQJMYBK-HNAYVOBHSA-N 1 0 391.450 3.652 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000748796781 923833719 /nfs/dbraw/zinc/83/37/19/923833719.db2.gz LPSVBNWCPVWVEQ-UHFFFAOYSA-N 1 0 384.483 3.623 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3nc4ccccn4c3C)C2)CC1 ZINC001137266882 924132332 /nfs/dbraw/zinc/13/23/32/924132332.db2.gz DGLWIDZOKGZPGL-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC000370565032 924173913 /nfs/dbraw/zinc/17/39/13/924173913.db2.gz FQBAUSHSDVSHBG-NHCUHLMSSA-N 1 0 395.890 3.693 20 30 GHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409848146 925063605 /nfs/dbraw/zinc/06/36/05/925063605.db2.gz ZFYSSFCSGMXYBB-UHFFFAOYSA-N 1 0 385.471 3.901 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCC#Cc3ccccc3)cc2)CC1 ZINC000410335250 925541097 /nfs/dbraw/zinc/54/10/97/925541097.db2.gz NTRZDPZVLFUUSI-UHFFFAOYSA-N 1 0 375.516 3.769 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000372727453 925663611 /nfs/dbraw/zinc/66/36/11/925663611.db2.gz PPTXNTPNQFEAAI-IBGZPJMESA-N 1 0 393.491 3.502 20 30 GHEDRO N#CC[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000373389211 926075768 /nfs/dbraw/zinc/07/57/68/926075768.db2.gz CJLTVQUJAOKAJT-FQEVSTJZSA-N 1 0 379.479 3.994 20 30 GHEDRO N#Cc1cccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1[N+](=O)[O-] ZINC000827854053 926083862 /nfs/dbraw/zinc/08/38/62/926083862.db2.gz YZNMSOFGRGTMHU-UHFFFAOYSA-N 1 0 391.475 3.611 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000411166349 926155067 /nfs/dbraw/zinc/15/50/67/926155067.db2.gz MAWLUFRHEIFWES-UHFFFAOYSA-N 1 0 396.447 3.716 20 30 GHEDRO CN(CCC1(C#N)CCCCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000411441016 926399559 /nfs/dbraw/zinc/39/95/59/926399559.db2.gz IPDJACJHBMOONF-INIZCTEOSA-N 1 0 378.314 3.771 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000411465820 926416241 /nfs/dbraw/zinc/41/62/41/926416241.db2.gz XXHFJIJINQBFFW-QFIPXVFZSA-N 1 0 379.460 3.645 20 30 GHEDRO CC(C)OC(=O)C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411506052 926459462 /nfs/dbraw/zinc/45/94/62/926459462.db2.gz PITZQGYCFWGTQS-HXUWFJFHSA-N 1 0 379.460 3.559 20 30 GHEDRO C[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000726456950 926677367 /nfs/dbraw/zinc/67/73/67/926677367.db2.gz MIBLPBDYDOEQHT-AWEZNQCLSA-N 1 0 384.936 3.945 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411731574 926707887 /nfs/dbraw/zinc/70/78/87/926707887.db2.gz QYDJKHUCLSODMS-BVYCBKJFSA-N 1 0 377.488 3.828 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2CN=Nc2nc(-c3ccccc3)no2)CC1 ZINC000726738020 926824595 /nfs/dbraw/zinc/82/45/95/926824595.db2.gz IREGAEJHMZJONP-UHFFFAOYSA-N 1 0 396.882 3.588 20 30 GHEDRO C[C@H](NC(=O)[C@H](C)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000374292346 926989501 /nfs/dbraw/zinc/98/95/01/926989501.db2.gz NDOHWUVKDJGXFK-IRXDYDNUSA-N 1 0 396.922 3.858 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1OC ZINC000749923755 927349698 /nfs/dbraw/zinc/34/96/98/927349698.db2.gz LUBRTESYKYNOFA-SFHVURJKSA-N 1 0 386.879 3.809 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCN(CCCc3ccccc3)C2=O)c(O)c1 ZINC000749929276 927355379 /nfs/dbraw/zinc/35/53/79/927355379.db2.gz BBMMKDDLZJDBGK-VYUMYAIBSA-N 1 0 393.531 3.891 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000750282233 927533386 /nfs/dbraw/zinc/53/33/86/927533386.db2.gz DINYSWDYGMXSEC-LJQANCHMSA-N 1 0 387.524 3.906 20 30 GHEDRO N#CC1(NC(=O)Cc2ccc(OC(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000374891682 927660295 /nfs/dbraw/zinc/66/02/95/927660295.db2.gz CTZXYRIYGUFCLS-UHFFFAOYSA-N 1 0 399.441 3.505 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000750598089 927741674 /nfs/dbraw/zinc/74/16/74/927741674.db2.gz ZYXLZDDVMOYPRQ-GCJKJVERSA-N 1 0 377.488 3.731 20 30 GHEDRO Cc1ccc2c(CN3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000750639186 927773011 /nfs/dbraw/zinc/77/30/11/927773011.db2.gz WEADMDKANNBQSH-OAQYLSRUSA-N 1 0 391.446 3.623 20 30 GHEDRO COc1ccc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1C#N ZINC000751503971 928226119 /nfs/dbraw/zinc/22/61/19/928226119.db2.gz DPKDLMDURWZFHM-KRWDZBQOSA-N 1 0 384.785 3.760 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000752053637 928572123 /nfs/dbraw/zinc/57/21/23/928572123.db2.gz HENFWWKMXCOPFO-PMACEKPBSA-N 1 0 399.535 3.686 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)cc1C#N ZINC000752300222 928741348 /nfs/dbraw/zinc/74/13/48/928741348.db2.gz BDOMGFRAJFBWMJ-QGZVFWFLSA-N 1 0 387.484 3.513 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000753099038 929205116 /nfs/dbraw/zinc/20/51/16/929205116.db2.gz RIIFPHMHAWJJCQ-YTFSRNRJSA-N 1 0 391.515 3.697 20 30 GHEDRO C=CCOc1ccccc1C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000753113898 929210996 /nfs/dbraw/zinc/21/09/96/929210996.db2.gz HYOCYZFYVAQUHZ-UHFFFAOYSA-N 1 0 380.488 3.633 20 30 GHEDRO CCc1nnc(NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c(C#N)c1CC ZINC000467746591 929366199 /nfs/dbraw/zinc/36/61/99/929366199.db2.gz OKSZRHHQDPVQNX-NRFANRHFSA-N 1 0 379.508 3.731 20 30 GHEDRO N#Cc1csc(C(=O)OC[C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000757891466 929841770 /nfs/dbraw/zinc/84/17/70/929841770.db2.gz OZRRVABDNNFKSH-ZDUSSCGKSA-N 1 0 376.428 3.967 20 30 GHEDRO C[N@@H+]1CCC[C@@H](COC(=O)CSCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000757898868 929845970 /nfs/dbraw/zinc/84/59/70/929845970.db2.gz MMPNBPYMJQXACK-WMLDXEAASA-N 1 0 386.439 3.888 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(N)c1Cl ZINC000469557600 929988692 /nfs/dbraw/zinc/98/86/92/929988692.db2.gz ZOORXNRYEQHLOH-UHFFFAOYSA-N 1 0 391.302 3.651 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000469988453 930297974 /nfs/dbraw/zinc/29/79/74/930297974.db2.gz BKHUZBOCKHFXQB-XJKSGUPXSA-N 1 0 383.330 3.582 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)[C@H]1OC ZINC000759605880 930422957 /nfs/dbraw/zinc/42/29/57/930422957.db2.gz SPZBXWFVQOJXSW-BUBGVCCWSA-N 1 0 392.503 3.653 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)ccc1Cl ZINC000470216815 930459953 /nfs/dbraw/zinc/45/99/53/930459953.db2.gz VKXBLUDVBFKHTP-KRWDZBQOSA-N 1 0 391.943 3.911 20 30 GHEDRO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546930584 930538888 /nfs/dbraw/zinc/53/88/88/930538888.db2.gz KEFYVTCTRDMLAY-LJQANCHMSA-N 1 0 396.560 3.772 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000780579556 930552022 /nfs/dbraw/zinc/55/20/22/930552022.db2.gz DAYYROPOTYGRCN-SUMWQHHRSA-N 1 0 375.818 3.925 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ncc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000470598025 930740229 /nfs/dbraw/zinc/74/02/29/930740229.db2.gz IHRVQPOTGBRZCI-OAHLLOKOSA-N 1 0 396.800 3.658 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000471034973 931108740 /nfs/dbraw/zinc/10/87/40/931108740.db2.gz WVWFWTOTIQYYNT-NRFANRHFSA-N 1 0 380.488 3.708 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+](CCCO)[C@H]3CCCc4ccccc43)o2)c1 ZINC000471046532 931116521 /nfs/dbraw/zinc/11/65/21/931116521.db2.gz GZOSSGBIUPIQMF-NRFANRHFSA-N 1 0 388.471 3.870 20 30 GHEDRO Cc1ccccc1[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000782764638 931329508 /nfs/dbraw/zinc/32/95/08/931329508.db2.gz IHIITNVBMYCKNE-GZBPXKELSA-N 1 0 381.520 3.978 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000783091096 931409035 /nfs/dbraw/zinc/40/90/35/931409035.db2.gz DVXXNZHULVAVDO-HRAATJIYSA-N 1 0 381.463 3.949 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000924547092 931416083 /nfs/dbraw/zinc/41/60/83/931416083.db2.gz FFAIPRKPNOXRNX-PKOBYXMFSA-N 1 0 387.524 3.629 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F ZINC000557545294 931532546 /nfs/dbraw/zinc/53/25/46/931532546.db2.gz APQSIXYXUDQDNA-ZBFHGGJFSA-N 1 0 378.394 3.862 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000557590398 931561436 /nfs/dbraw/zinc/56/14/36/931561436.db2.gz XCEIRDTUHOCTQN-UHFFFAOYSA-N 1 0 382.504 3.975 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2cc(Cl)ccn2c1C#N ZINC000557632314 931585054 /nfs/dbraw/zinc/58/50/54/931585054.db2.gz YSUBMOLVGQLNDR-KRWDZBQOSA-N 1 0 379.895 3.818 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000557655247 931595200 /nfs/dbraw/zinc/59/52/00/931595200.db2.gz OGLAETKPKLZDOG-UHFFFAOYSA-N 1 0 382.533 3.995 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000925298067 931734526 /nfs/dbraw/zinc/73/45/26/931734526.db2.gz QGIKHRILBNJKAN-KZNAEPCWSA-N 1 0 379.545 3.711 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925916116 931958059 /nfs/dbraw/zinc/95/80/59/931958059.db2.gz OWQIHBFQYYUGFL-NRFANRHFSA-N 1 0 398.555 3.640 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000558447973 932007371 /nfs/dbraw/zinc/00/73/71/932007371.db2.gz NRJOTZLOQJYDRH-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926028279 932007403 /nfs/dbraw/zinc/00/74/03/932007403.db2.gz ZBPDOKXHVLMGIK-JHJVBQTASA-N 1 0 386.443 3.682 20 30 GHEDRO C=CCCOCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000626273991 932008772 /nfs/dbraw/zinc/00/87/72/932008772.db2.gz QGCWMYKBTUQDFJ-WOJBJXKFSA-N 1 0 384.545 3.673 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000558476876 932024790 /nfs/dbraw/zinc/02/47/90/932024790.db2.gz YRDKLZNZMPSQKN-FGZHOGPDSA-N 1 0 399.498 3.562 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)CC2 ZINC000558497287 932035109 /nfs/dbraw/zinc/03/51/09/932035109.db2.gz NTMPRVUCMKBOQD-YADHBBJMSA-N 1 0 381.907 3.862 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](CO)c1ccsc1 ZINC000926196894 932079559 /nfs/dbraw/zinc/07/95/59/932079559.db2.gz AZFDKULPFFYSJP-DOTOQJQBSA-N 1 0 393.553 3.691 20 30 GHEDRO Cc1ncsc1CC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926517633 932215173 /nfs/dbraw/zinc/21/51/73/932215173.db2.gz DFDBWPUSIKRQEX-OAHLLOKOSA-N 1 0 392.569 3.903 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000926533556 932219296 /nfs/dbraw/zinc/21/92/96/932219296.db2.gz ROCXSJNDEIHWKU-ZACQAIPSSA-N 1 0 387.528 3.798 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)COc1cccc(C#N)c1 ZINC000797339244 932254302 /nfs/dbraw/zinc/25/43/02/932254302.db2.gz MENLCWCOQCWCIT-OAQYLSRUSA-N 1 0 378.472 3.781 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000559359372 932626507 /nfs/dbraw/zinc/62/65/07/932626507.db2.gz HLTIVJFUQZGWOQ-UHFFFAOYSA-N 1 0 379.909 3.858 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)ccc1C#N ZINC000799339873 932957558 /nfs/dbraw/zinc/95/75/58/932957558.db2.gz WMYLUSJSUGTRKJ-QHCPKHFHSA-N 1 0 388.467 3.969 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)/C=C\c1ccccc1C#N ZINC000799761744 933109441 /nfs/dbraw/zinc/10/94/41/933109441.db2.gz BRKWEZAVKWFAGC-YPKPFQOOSA-N 1 0 387.487 3.902 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000799951829 933187028 /nfs/dbraw/zinc/18/70/28/933187028.db2.gz HMTAUYGTBNXNPJ-JOCHJYFZSA-N 1 0 375.451 3.962 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000560367008 933224922 /nfs/dbraw/zinc/22/49/22/933224922.db2.gz BCCJZHOBEICBRO-IBGZPJMESA-N 1 0 393.535 3.541 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1COc2ccccc21 ZINC000560713520 933486740 /nfs/dbraw/zinc/48/67/40/933486740.db2.gz HNEFEXSUEMGGGT-SUMWQHHRSA-N 1 0 381.501 3.591 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC001116392725 933532859 /nfs/dbraw/zinc/53/28/59/933532859.db2.gz XBNNZJUJBKSXIV-UHFFFAOYSA-N 1 0 399.214 3.936 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)Nc2c[nH+]ccc2-n2ccnc2C)cc1OC ZINC001119623811 934374846 /nfs/dbraw/zinc/37/48/46/934374846.db2.gz HSVIZYKSBOFWJS-VURMDHGXSA-N 1 0 390.443 3.801 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1 ZINC001120366307 934459030 /nfs/dbraw/zinc/45/90/30/934459030.db2.gz SIBWMFLYGAZGBF-IIAWOOMASA-N 1 0 380.414 3.771 20 30 GHEDRO Cn1cc(CN(CC[NH+](C)C)Cc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000561976866 934600876 /nfs/dbraw/zinc/60/08/76/934600876.db2.gz UPGPVLKOKHULEI-UHFFFAOYSA-N 1 0 391.494 3.662 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001121473579 934666982 /nfs/dbraw/zinc/66/69/82/934666982.db2.gz JEKDZUMQHGPGAJ-OAHLLOKOSA-N 1 0 393.626 3.643 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC[C@H](COC)C1 ZINC001121495976 934674056 /nfs/dbraw/zinc/67/40/56/934674056.db2.gz UJWSJKNFBYHVDK-ICSRJNTNSA-N 1 0 387.572 3.797 20 30 GHEDRO COC[C@]1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)OCCc2ccccc21 ZINC000562073787 934675049 /nfs/dbraw/zinc/67/50/49/934675049.db2.gz IHFYPAHIPKPVNS-FQEVSTJZSA-N 1 0 390.405 3.781 20 30 GHEDRO CCn1c(N(C)[C@@H](C)CC#N)nnc1[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121890815 934785463 /nfs/dbraw/zinc/78/54/63/934785463.db2.gz RULIELZROMCANA-CSODHUTKSA-N 1 0 384.503 3.668 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(NC(=O)OCC)ccc2Cl)CC1 ZINC000932143150 934833129 /nfs/dbraw/zinc/83/31/29/934833129.db2.gz MBKZCIFIUXGMOJ-UHFFFAOYSA-N 1 0 379.888 3.679 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)NC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001122388936 934860606 /nfs/dbraw/zinc/86/06/06/934860606.db2.gz NOSLPFKZVXCPMR-UHFFFAOYSA-N 1 0 389.503 3.511 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3n[nH]cc3c2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001122400076 934861938 /nfs/dbraw/zinc/86/19/38/934861938.db2.gz MGBUTCXSKQMJPM-UHFFFAOYSA-N 1 0 393.539 3.708 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CCC(F)(F)C1 ZINC001122449750 934873297 /nfs/dbraw/zinc/87/32/97/934873297.db2.gz WUUAPTYVNSSZBS-MSOLQXFVSA-N 1 0 387.478 3.512 20 30 GHEDRO C=C(C)Cn1c(C(F)F)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001122456069 934874360 /nfs/dbraw/zinc/87/43/60/934874360.db2.gz FZGLTHLRJVCQMP-UHFFFAOYSA-N 1 0 381.393 3.645 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001122481891 934880010 /nfs/dbraw/zinc/88/00/10/934880010.db2.gz IIKIPOBNJQUQIR-HSZRJFAPSA-N 1 0 397.567 3.645 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001122490799 934881934 /nfs/dbraw/zinc/88/19/34/934881934.db2.gz UVNYPNLKNKZICT-IBGZPJMESA-N 1 0 395.551 3.569 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001122530435 934891397 /nfs/dbraw/zinc/89/13/97/934891397.db2.gz GXUBHCQPWPEFRO-IBGZPJMESA-N 1 0 378.524 3.584 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC(C)=NN=C2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001122537121 934892750 /nfs/dbraw/zinc/89/27/50/934892750.db2.gz GUNHEKSKXHXNBH-FQEVSTJZSA-N 1 0 399.587 3.735 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001122620929 934923255 /nfs/dbraw/zinc/92/32/55/934923255.db2.gz MHLNLQYRRQBXRO-VAMGGRTRSA-N 1 0 392.551 3.585 20 30 GHEDRO N#Cc1csc(C(=O)O[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001123222277 935122944 /nfs/dbraw/zinc/12/29/44/935122944.db2.gz BWNKAPIXCHFVLE-LJQANCHMSA-N 1 0 396.512 3.990 20 30 GHEDRO N#C[C@H]1C[C@H]1C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001124832157 935476232 /nfs/dbraw/zinc/47/62/32/935476232.db2.gz ASXBSBHXTZVACS-CRAIPNDOSA-N 1 0 385.920 3.872 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3Br)C2)C1=O ZINC001137547403 935576593 /nfs/dbraw/zinc/57/65/93/935576593.db2.gz ZGLGILYBJSBLLX-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cccc5ncccc45)C3)CC2=O)c1 ZINC001137628017 935642957 /nfs/dbraw/zinc/64/29/57/935642957.db2.gz JZPDGIOTLIDGHX-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137633068 935648385 /nfs/dbraw/zinc/64/83/85/935648385.db2.gz ZBLAPENOSLYFCC-GOSISDBHSA-N 1 0 379.298 3.876 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccncc2C#N)C1 ZINC000828621035 935677296 /nfs/dbraw/zinc/67/72/96/935677296.db2.gz HFWGXRWQQBZRTL-QUCCMNQESA-N 1 0 384.524 3.955 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccncc2C#N)C1 ZINC000828621037 935677459 /nfs/dbraw/zinc/67/74/59/935677459.db2.gz HFWGXRWQQBZRTL-UYAOXDASSA-N 1 0 384.524 3.955 20 30 GHEDRO Cc1cccc(C)c1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001137847891 935822594 /nfs/dbraw/zinc/82/25/94/935822594.db2.gz JYTFEYXTRGGHAA-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC001137902939 935856734 /nfs/dbraw/zinc/85/67/34/935856734.db2.gz YLLPNOWJAVXSKF-UHFFFAOYSA-N 1 0 388.515 3.817 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)cc1 ZINC001137904320 935858018 /nfs/dbraw/zinc/85/80/18/935858018.db2.gz YPKGRALTJQSWLS-UHFFFAOYSA-N 1 0 388.515 3.770 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cccc3c2C(=O)CC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001154409053 1032087765 /nfs/dbraw/zinc/08/77/65/1032087765.db2.gz LFMNITSVDKLLQB-MXVIHJGJSA-N 1 0 387.483 3.599 20 30 GHEDRO C#CCN(C(=O)NCC1(c2ccc(F)cc2F)CCCC1)C1CC[NH+](C)CC1 ZINC001226715910 1032088898 /nfs/dbraw/zinc/08/88/98/1032088898.db2.gz YYJAPKDJVVXSBQ-UHFFFAOYSA-N 1 0 389.490 3.516 20 30 GHEDRO Cc1ccc(C[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)c2ccccc2)cc1 ZINC001220763840 1032107017 /nfs/dbraw/zinc/10/70/17/1032107017.db2.gz PRSWOYDADZJJIV-ZEQRLZLVSA-N 1 0 383.495 3.837 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000468010903 1015139406 /nfs/dbraw/zinc/13/94/06/1015139406.db2.gz CSHUIOZKXUPAQM-IYBDPMFKSA-N 1 0 376.460 3.622 20 30 GHEDRO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220770418 1032111975 /nfs/dbraw/zinc/11/19/75/1032111975.db2.gz WXIRPNSTLLKAEF-IRLDBZIGSA-N 1 0 388.515 3.827 20 30 GHEDRO C=C1CC=C(F)C=C1NC(=O)[C@@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC001220796856 1032125710 /nfs/dbraw/zinc/12/57/10/1032125710.db2.gz DRDLMJSWQXQIQB-IBGZPJMESA-N 1 0 391.284 3.927 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1 ZINC000468659776 1015879928 /nfs/dbraw/zinc/87/99/28/1015879928.db2.gz KNYAHJRRXQDIOM-GMAHTHKFSA-N 1 0 383.536 3.986 20 30 GHEDRO N#Cc1cccc(C[C@H]([NH3+])C(=O)NCc2c(Cl)ccc(Cl)c2Cl)c1 ZINC001220814686 1032134899 /nfs/dbraw/zinc/13/48/99/1032134899.db2.gz KTYNFCCZVKEBTE-HNNXBMFYSA-N 1 0 382.678 3.705 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3OC)C2)C1=O ZINC001276816433 1032143394 /nfs/dbraw/zinc/14/33/94/1032143394.db2.gz BYWUKDPRZSQYML-IBGZPJMESA-N 1 0 397.302 3.529 20 30 GHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cccc21 ZINC000468918517 1016217089 /nfs/dbraw/zinc/21/70/89/1016217089.db2.gz GRAZTFFNBUZEPW-IBGZPJMESA-N 1 0 388.427 3.851 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468973256 1016293157 /nfs/dbraw/zinc/29/31/57/1016293157.db2.gz NDYUYQJSVOZXQN-FQEVSTJZSA-N 1 0 388.515 3.848 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)cc2)CC1 ZINC000470591830 1016827305 /nfs/dbraw/zinc/82/73/05/1016827305.db2.gz VBYAOMQGPTVDHE-UHFFFAOYSA-N 1 0 396.579 3.662 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC2CCCCC2)C(C)(C)C)CC1 ZINC000557769311 1017041899 /nfs/dbraw/zinc/04/18/99/1017041899.db2.gz PRQZHMQZBXAOIH-FQEVSTJZSA-N 1 0 391.600 3.644 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(SC(C)C)nc4sccn34)C2)C1=O ZINC001277175224 1032241722 /nfs/dbraw/zinc/24/17/22/1032241722.db2.gz AGFSUYRIERNHSU-LJQANCHMSA-N 1 0 390.578 3.507 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(-n3nc(C(F)(F)F)c4c3CC[NH2+]C4)c12 ZINC001154854790 1032313486 /nfs/dbraw/zinc/31/34/86/1032313486.db2.gz OMZSNJHNEYSQGK-UHFFFAOYSA-N 1 0 391.784 3.919 20 30 GHEDRO O=C(C#Cc1ccc(F)cc1F)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221201797 1032328311 /nfs/dbraw/zinc/32/83/11/1032328311.db2.gz LTJLHUGNNWSLCU-OAQYLSRUSA-N 1 0 386.417 3.703 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1sc3scc(C)c3c1C)C2 ZINC001277201167 1032382666 /nfs/dbraw/zinc/38/26/66/1032382666.db2.gz QZAVWBKFZVCCKO-FQEVSTJZSA-N 1 0 390.574 3.817 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2c[nH]c3c2cccc3O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001155304402 1032493678 /nfs/dbraw/zinc/49/36/78/1032493678.db2.gz HXTZJPYHBHNZDP-IYARVYRRSA-N 1 0 388.471 3.657 20 30 GHEDRO C=CC[C@@H]1CCCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC001221873516 1032559499 /nfs/dbraw/zinc/55/94/99/1032559499.db2.gz UUGGDJWNACZQQT-LJQANCHMSA-N 1 0 377.573 3.798 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC001227842470 1032642829 /nfs/dbraw/zinc/64/28/29/1032642829.db2.gz XMXSDARYDWHABQ-PMAPCBKXSA-N 1 0 388.515 3.850 20 30 GHEDRO COc1cc(C[NH2+]CCc2cccc(C#N)c2)cc(OC)c1OCC(F)F ZINC000558112211 1017116980 /nfs/dbraw/zinc/11/69/80/1017116980.db2.gz GJZBHCOQVOCSOT-UHFFFAOYSA-N 1 0 376.403 3.552 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(C)c1OC)C2 ZINC001204260518 1032703575 /nfs/dbraw/zinc/70/35/75/1032703575.db2.gz UISQFMWSDYNOIS-RBBKRZOGSA-N 1 0 375.509 3.586 20 30 GHEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000560174778 1017563329 /nfs/dbraw/zinc/56/33/29/1017563329.db2.gz VLLLYZMKNKFVHT-UHFFFAOYSA-N 1 0 382.455 3.991 20 30 GHEDRO Cn1nccc1-c1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000560454175 1017633078 /nfs/dbraw/zinc/63/30/78/1017633078.db2.gz HRQTXXNQBYQICJ-UHFFFAOYSA-N 1 0 399.498 3.809 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c(C(F)(F)F)c1 ZINC000562080757 1018031653 /nfs/dbraw/zinc/03/16/53/1018031653.db2.gz ZTFZLMOABAVQDF-UHFFFAOYSA-N 1 0 391.393 3.820 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)cc1 ZINC001204299763 1032739572 /nfs/dbraw/zinc/73/95/72/1032739572.db2.gz FAQBEHPLRKZFBE-BJKOFHAPSA-N 1 0 394.515 3.987 20 30 GHEDRO COc1ccc([C@H](CNC(=O)NCC(C)(C)CCC#N)[NH+]2CCCCC2)cc1 ZINC000562213734 1018074671 /nfs/dbraw/zinc/07/46/71/1018074671.db2.gz XXTNDFIWILTXFT-FQEVSTJZSA-N 1 0 386.540 3.851 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cc1 ZINC001204301004 1032742080 /nfs/dbraw/zinc/74/20/80/1032742080.db2.gz ZDAXMIGHGTUYDN-RPBOFIJWSA-N 1 0 392.543 3.769 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c2ccccc21 ZINC000562548472 1018302108 /nfs/dbraw/zinc/30/21/08/1018302108.db2.gz ZHICSNXYAYSWQN-STZQEDGTSA-N 1 0 379.504 3.753 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC000932678931 1018578795 /nfs/dbraw/zinc/57/87/95/1018578795.db2.gz SYTWQKLVNFJSMX-OAHLLOKOSA-N 1 0 391.537 3.516 20 30 GHEDRO COc1cccc(/C(C)=C/C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000778112221 1018579902 /nfs/dbraw/zinc/57/99/02/1018579902.db2.gz ASIDVUMIWJHADC-XDJHFCHBSA-N 1 0 389.499 3.773 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000562765098 1018613585 /nfs/dbraw/zinc/61/35/85/1018613585.db2.gz FIADGUMATSEVQJ-LSDHHAIUSA-N 1 0 394.313 3.524 20 30 GHEDRO C[C@@H]1C[C@H](C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCO1 ZINC000932942276 1018770889 /nfs/dbraw/zinc/77/08/89/1018770889.db2.gz GOUBRLQJHHDHTP-ZNSHCXBVSA-N 1 0 381.307 3.904 20 30 GHEDRO FC1(F)[C@@H]2CN(Cc3cn4ccccc4n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944346 1018773691 /nfs/dbraw/zinc/77/36/91/1018773691.db2.gz UJKHCHGCEGAKPQ-GHMZBOCLSA-N 1 0 399.285 3.937 20 30 GHEDRO Cc1cc(C)n(CC[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000932945316 1018776867 /nfs/dbraw/zinc/77/68/67/1018776867.db2.gz VJUCFMCXLQNSIN-QWRGUYRKSA-N 1 0 391.306 3.603 20 30 GHEDRO COC(=O)c1ccc(NCc2ccc(C[NH+]3CCCCCC3)cc2)c(C#N)n1 ZINC000563820007 1018965054 /nfs/dbraw/zinc/96/50/54/1018965054.db2.gz AUXDTWNDMJYDGD-UHFFFAOYSA-N 1 0 378.476 3.728 20 30 GHEDRO CCc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)o1 ZINC001204394029 1032819749 /nfs/dbraw/zinc/81/97/49/1032819749.db2.gz WUICMEOCWUHPKO-HSZRJFAPSA-N 1 0 379.504 3.833 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567313784 1019282025 /nfs/dbraw/zinc/28/20/25/1019282025.db2.gz KTCDZGMYXFPVJN-JOCHJYFZSA-N 1 0 398.514 3.713 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4c3cccc4Br)C2)C1=O ZINC001277284892 1032855378 /nfs/dbraw/zinc/85/53/78/1032855378.db2.gz ZJLBCSHZTDMACV-LJQANCHMSA-N 1 0 388.309 3.541 20 30 GHEDRO Fc1cccc(OC(F)(F)F)c1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000575203303 1019930190 /nfs/dbraw/zinc/93/01/90/1019930190.db2.gz IBNILEXJIGSQQI-UHFFFAOYSA-N 1 0 398.282 3.735 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000575845620 1019951702 /nfs/dbraw/zinc/95/17/02/1019951702.db2.gz UUAZVKXBEXIIFF-UHFFFAOYSA-N 1 0 386.908 3.958 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000600721467 1020225199 /nfs/dbraw/zinc/22/51/99/1020225199.db2.gz AKHYPTRBGJZNKI-KRWDZBQOSA-N 1 0 377.326 3.905 20 30 GHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601187221 1020303383 /nfs/dbraw/zinc/30/33/83/1020303383.db2.gz FIAHSYKOFMNPDO-KDURUIRLSA-N 1 0 376.504 3.866 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000192028705 1020841324 /nfs/dbraw/zinc/84/13/24/1020841324.db2.gz ZNUVZPVURFFWEZ-HNNXBMFYSA-N 1 0 382.357 3.588 20 30 GHEDRO N#CC(CC[N@@H+]1CCC[C@H](C2OCCO2)C1)(c1ccccc1)c1ccccc1 ZINC000193048814 1020909988 /nfs/dbraw/zinc/90/99/88/1020909988.db2.gz OVIDNFOXBPQHPE-FQEVSTJZSA-N 1 0 376.500 3.971 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(O)c1 ZINC000779707731 1020923622 /nfs/dbraw/zinc/92/36/22/1020923622.db2.gz QDCLYALJDLZBOY-NSRYLYFRSA-N 1 0 390.487 3.725 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(Br)n1)C(C)C ZINC001203017026 1021225166 /nfs/dbraw/zinc/22/51/66/1021225166.db2.gz NYBWFDICDFPECM-AWEZNQCLSA-N 1 0 381.318 3.664 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2ncnc(Cl)c2C#N)cc1 ZINC001156293279 1032962762 /nfs/dbraw/zinc/96/27/62/1032962762.db2.gz DOJMKYOJAIVKJK-INIZCTEOSA-N 1 0 385.899 3.501 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3-c3cnc(N)nc3)C2)cc1 ZINC001140326538 1021406778 /nfs/dbraw/zinc/40/67/78/1021406778.db2.gz UZMVQPZGVYICRX-NRFANRHFSA-N 1 0 385.471 3.641 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001140351758 1021473319 /nfs/dbraw/zinc/47/33/19/1021473319.db2.gz DSFCYVQSRGIZLN-DHIUTWEWSA-N 1 0 379.504 3.717 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000834792412 1021480105 /nfs/dbraw/zinc/48/01/05/1021480105.db2.gz KSMHACJHJSTWHN-UHFFFAOYSA-N 1 0 390.487 3.882 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000834795291 1021485703 /nfs/dbraw/zinc/48/57/03/1021485703.db2.gz FXBBGVAXTZMVLP-UHFFFAOYSA-N 1 0 393.487 3.867 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc(C#N)c1 ZINC000902764506 1021534003 /nfs/dbraw/zinc/53/40/03/1021534003.db2.gz GIYIEVJKEFOFPQ-NRFANRHFSA-N 1 0 385.533 3.627 20 30 GHEDRO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccc(C#N)cc1 ZINC000903079352 1021575761 /nfs/dbraw/zinc/57/57/61/1021575761.db2.gz MLUFCBHUCPXXNU-KFKAGJAMSA-N 1 0 385.508 3.671 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC000834889888 1021629042 /nfs/dbraw/zinc/62/90/42/1021629042.db2.gz GZKIJXNSBVHYAC-GOSISDBHSA-N 1 0 375.472 3.803 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000834910194 1021672665 /nfs/dbraw/zinc/67/26/65/1021672665.db2.gz GGPYXDZAQVRQLS-LRZVDXDASA-N 1 0 399.535 3.616 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccccc3-c3nccs3)CC2)nc1 ZINC001140453005 1021742094 /nfs/dbraw/zinc/74/20/94/1021742094.db2.gz FDNGQIZNRXQPBG-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)nc3)C[C@@H]2c2ccccc21 ZINC001140540075 1021937071 /nfs/dbraw/zinc/93/70/71/1021937071.db2.gz INWOQNPFMZZAJT-XLIONFOSSA-N 1 0 390.487 3.924 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)C2 ZINC001140628640 1022107550 /nfs/dbraw/zinc/10/75/50/1022107550.db2.gz ZFCRFNJBSVZMBA-AZUAARDMSA-N 1 0 383.435 3.567 20 30 GHEDRO C=C(C[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1)c1ccccc1 ZINC000680338493 1022147449 /nfs/dbraw/zinc/14/74/49/1022147449.db2.gz CMZUECXRSWBTRW-QFIPXVFZSA-N 1 0 397.950 3.881 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000827416301 1022154912 /nfs/dbraw/zinc/15/49/12/1022154912.db2.gz ZASNSQWDLCNBPK-UHFFFAOYSA-N 1 0 392.499 3.840 20 30 GHEDRO COC(=O)Cc1ccccc1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001140654401 1022172280 /nfs/dbraw/zinc/17/22/80/1022172280.db2.gz HPKPUBQBQUVCQP-UHFFFAOYSA-N 1 0 398.890 3.971 20 30 GHEDRO COC(=O)c1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC001137453057 1022299347 /nfs/dbraw/zinc/29/93/47/1022299347.db2.gz JASSTZJDSDAPHG-UHFFFAOYSA-N 1 0 378.472 3.808 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(C#N)ccc4[nH]3)cc2F)CC1 ZINC001156462039 1033044775 /nfs/dbraw/zinc/04/47/75/1033044775.db2.gz HTDLEPLYFANOFV-UHFFFAOYSA-N 1 0 391.450 3.573 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc4ncn(C)c4c3)CC2)C1 ZINC001140734212 1022389752 /nfs/dbraw/zinc/38/97/52/1022389752.db2.gz FIPIFFXGMLHSHB-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc4ncn(C)c4c3)C2)CC1 ZINC001140735425 1022391299 /nfs/dbraw/zinc/39/12/99/1022391299.db2.gz WJBQPKRPMUXWKG-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#C[C@H](c1ccc(-n2cncc2C[NH2+]Cc2ccccc2)nn1)c1ccccc1F ZINC001156496028 1033065465 /nfs/dbraw/zinc/06/54/65/1033065465.db2.gz AVINHFIASPUSIX-FQEVSTJZSA-N 1 0 398.445 3.747 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2cccc(C#N)c2Cl)CCC[C@]12CCC(=O)N2CCOC ZINC001140810510 1022598572 /nfs/dbraw/zinc/59/85/72/1022598572.db2.gz AREZYHCAUCIUNB-RXVVDRJESA-N 1 0 389.927 3.594 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1c(C)nn(C)c1C ZINC000754438667 1022706993 /nfs/dbraw/zinc/70/69/93/1022706993.db2.gz UMUNSKNEQPWBOK-FXAWDEMLSA-N 1 0 381.524 3.721 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1O ZINC000754725788 1022861796 /nfs/dbraw/zinc/86/17/96/1022861796.db2.gz FNJUEQLVLGMZIO-UHFFFAOYSA-N 1 0 398.478 3.663 20 30 GHEDRO C=CCc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(O)c(OC)c1 ZINC000754748825 1022878047 /nfs/dbraw/zinc/87/80/47/1022878047.db2.gz TWWGENILPDEZJT-NVXWUHKLSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001140979007 1023071154 /nfs/dbraw/zinc/07/11/54/1023071154.db2.gz VZMQFSHPPGBIEL-FYYLOGMGSA-N 1 0 379.504 3.717 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112936 1023529623 /nfs/dbraw/zinc/52/96/23/1023529623.db2.gz PZZSDHJUJFECTH-WDEREUQCSA-N 1 0 384.933 3.590 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000830903778 1024231338 /nfs/dbraw/zinc/23/13/38/1024231338.db2.gz RFCVACPRNHYLHG-UHFFFAOYSA-N 1 0 394.437 3.624 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](Oc3ccc4ccc(C#N)cc4c3)C[C@H]2C1 ZINC001228969282 1033207328 /nfs/dbraw/zinc/20/73/28/1033207328.db2.gz FMSGKCGLANXJDS-FPOVZHCZSA-N 1 0 393.487 3.784 20 30 GHEDRO CC1=NC2(CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)C(=O)N1C ZINC001141298309 1024443235 /nfs/dbraw/zinc/44/32/35/1024443235.db2.gz NLHAMICGZLRWMY-UHFFFAOYSA-N 1 0 388.471 3.576 20 30 GHEDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000837515862 1024521538 /nfs/dbraw/zinc/52/15/38/1024521538.db2.gz XIUINUOVDLQDLV-FQEVSTJZSA-N 1 0 385.508 3.520 20 30 GHEDRO COc1cc2cccnc2c(N(c2nccc(F)c2C#N)[C@H](C)CCC[NH3+])c1 ZINC001156749815 1033220638 /nfs/dbraw/zinc/22/06/38/1033220638.db2.gz HIMSEMHGYLFIIW-CQSZACIVSA-N 1 0 379.439 3.915 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)cc1OC ZINC001138342763 1024703626 /nfs/dbraw/zinc/70/36/26/1024703626.db2.gz CZZVOKMYJKEDLN-KRWDZBQOSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(CN2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001138345177 1024706534 /nfs/dbraw/zinc/70/65/34/1024706534.db2.gz KYXFKIFKHKZWBU-GOTSBHOMSA-N 1 0 390.527 3.579 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)cc1OC ZINC001138344421 1024706832 /nfs/dbraw/zinc/70/68/32/1024706832.db2.gz JQYTVDIMGHKHIB-UHFFFAOYSA-N 1 0 399.494 3.765 20 30 GHEDRO C#CCOc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1OC ZINC001138348930 1024712571 /nfs/dbraw/zinc/71/25/71/1024712571.db2.gz QJOWMOFYPNDKBE-UHFFFAOYSA-N 1 0 382.479 3.554 20 30 GHEDRO COc1c(C)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1C ZINC001138431563 1024831122 /nfs/dbraw/zinc/83/11/22/1024831122.db2.gz WGHGSUKRWRTPKD-XMMPIXPASA-N 1 0 389.499 3.813 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)CCO2 ZINC001138445767 1024865555 /nfs/dbraw/zinc/86/55/55/1024865555.db2.gz PQKCLUWKUPYAHN-JTHBVZDNSA-N 1 0 381.520 3.959 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccncc1NC(=O)C(C)(C)C)CC2 ZINC001138455668 1024879767 /nfs/dbraw/zinc/87/97/67/1024879767.db2.gz LCAOPXKZOKVCCJ-HSZRJFAPSA-N 1 0 398.551 3.599 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(C)nn(Cc3ccccc3)c1C)C2 ZINC001138503697 1024938944 /nfs/dbraw/zinc/93/89/44/1024938944.db2.gz CXOVPZXNXFYVMJ-VWNXMTODSA-N 1 0 395.547 3.874 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(Nc4ccc(C(C)(C)C#N)nc4)cc3)CC2)CC1 ZINC001205096453 1033248643 /nfs/dbraw/zinc/24/86/43/1033248643.db2.gz IJIQTZNXWMXCCG-UHFFFAOYSA-N 1 0 375.520 3.863 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(C(F)(F)F)nc3C)C2)CC1 ZINC001141424123 1024998870 /nfs/dbraw/zinc/99/88/70/1024998870.db2.gz VZCCJCDZHCFOKK-UHFFFAOYSA-N 1 0 383.414 3.629 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)CC2 ZINC001141428686 1025020850 /nfs/dbraw/zinc/02/08/50/1025020850.db2.gz QVQFADGAVJFDIG-IBGZPJMESA-N 1 0 381.442 3.942 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)cc1 ZINC001138559408 1025021076 /nfs/dbraw/zinc/02/10/76/1025021076.db2.gz TXPDKVGOPWRNHV-RUZDIDTESA-N 1 0 388.511 3.845 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2nc(Cl)cc(Cl)c2C#N)CCC([NH3+])CC1 ZINC001156802862 1033251680 /nfs/dbraw/zinc/25/16/80/1033251680.db2.gz HUWYUQSTSQGQLU-UHFFFAOYSA-N 1 0 385.295 3.654 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC001138598991 1025081063 /nfs/dbraw/zinc/08/10/63/1025081063.db2.gz VSJYTTSGOJSYED-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1O ZINC001138626136 1025123920 /nfs/dbraw/zinc/12/39/20/1025123920.db2.gz BGNCKDLRIRDVDJ-HSZRJFAPSA-N 1 0 380.463 3.889 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3OC)CC2)c1O ZINC001138630840 1025134948 /nfs/dbraw/zinc/13/49/48/1025134948.db2.gz DUMVXZLCJJHZRA-UHFFFAOYSA-N 1 0 380.488 3.524 20 30 GHEDRO C=C(C)COc1ccccc1CN(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001138663039 1025183875 /nfs/dbraw/zinc/18/38/75/1025183875.db2.gz LZGAGFXSBGEZLS-LJQANCHMSA-N 1 0 390.524 3.709 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138743070 1025282707 /nfs/dbraw/zinc/28/27/07/1025282707.db2.gz MHEXNEZNYGMOLR-NRFANRHFSA-N 1 0 392.927 3.890 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898295 1025426635 /nfs/dbraw/zinc/42/66/35/1025426635.db2.gz YIJMEMZBHCDNNS-GDBMZVCRSA-N 1 0 388.468 3.592 20 30 GHEDRO Cc1cnc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c(/C=N/O)c1 ZINC001162056844 1025573928 /nfs/dbraw/zinc/57/39/28/1025573928.db2.gz RUDICUSFKMNRDI-LGJNPRDNSA-N 1 0 392.425 3.757 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000839141318 1025636829 /nfs/dbraw/zinc/63/68/29/1025636829.db2.gz VVVVCKUFCJBXLN-GOSISDBHSA-N 1 0 387.524 3.603 20 30 GHEDRO C=CCNC(=O)c1cccnc1N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001162236397 1025685644 /nfs/dbraw/zinc/68/56/44/1025685644.db2.gz OHMCBJUMGQWRKV-FQEVSTJZSA-N 1 0 382.483 3.679 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162461307 1025755287 /nfs/dbraw/zinc/75/52/87/1025755287.db2.gz OLJSXQWHVKKSNF-IEBWSBKVSA-N 1 0 375.520 3.564 20 30 GHEDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ncc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162763211 1025910545 /nfs/dbraw/zinc/91/05/45/1025910545.db2.gz NYODBYGOQRKHFM-INIZCTEOSA-N 1 0 394.482 3.875 20 30 GHEDRO N#Cc1c2c(cnc1N1C[C@H]([NH3+])Cc3ccccc31)CCN2Cc1ccccc1 ZINC001162845060 1025937610 /nfs/dbraw/zinc/93/76/10/1025937610.db2.gz RASAHYMDMLKMGF-HXUWFJFHSA-N 1 0 381.483 3.537 20 30 GHEDRO CCOC(=O)COc1cc(Cl)c(-n2ccc3cc([C@@H](C)[NH3+])ccc32)nc1C#N ZINC001162898776 1025958406 /nfs/dbraw/zinc/95/84/06/1025958406.db2.gz HKAMXOKRLXXBKY-GFCCVEGCSA-N 1 0 398.850 3.512 20 30 GHEDRO N#Cc1cnc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001162900113 1025958664 /nfs/dbraw/zinc/95/86/64/1025958664.db2.gz MKRQHTGSRBBQGO-IPMKNSEASA-N 1 0 377.448 3.574 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1(C)C ZINC001162904742 1025961941 /nfs/dbraw/zinc/96/19/41/1025961941.db2.gz JUFOSMNXNNOJKM-LEWJYISDSA-N 1 0 377.488 3.596 20 30 GHEDRO Cc1ccc2c(c1)[C@H](Nc1c(Br)cncc1C#N)CC21CC[NH2+]CC1 ZINC001163034335 1026018025 /nfs/dbraw/zinc/01/80/25/1026018025.db2.gz OZRZGCIFABMXCL-GOSISDBHSA-N 1 0 397.320 3.624 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141654684 1026089997 /nfs/dbraw/zinc/08/99/97/1026089997.db2.gz GUOVNKPPHYOYAM-KBPBESRZSA-N 1 0 395.194 3.548 20 30 GHEDRO Cc1cnc2n1CCC21CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC001141658225 1026127185 /nfs/dbraw/zinc/12/71/85/1026127185.db2.gz VOVFQSPKRJAHBL-UHFFFAOYSA-N 1 0 385.309 3.763 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccc(Cl)cc1 ZINC001163386627 1026172157 /nfs/dbraw/zinc/17/21/57/1026172157.db2.gz YSZGPGFBVKFNHX-KRWDZBQOSA-N 1 0 379.291 3.991 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000839676513 1026190684 /nfs/dbraw/zinc/19/06/84/1026190684.db2.gz XLQDIGPODXWLMD-AYOQOUSVSA-N 1 0 392.503 3.795 20 30 GHEDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nc3ccc(C)cc3c(Cl)c2C#N)cc1 ZINC001163465581 1026204194 /nfs/dbraw/zinc/20/41/94/1026204194.db2.gz GTWPJAHEVLLWJN-QGZVFWFLSA-N 1 0 394.862 3.967 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001163465865 1026204507 /nfs/dbraw/zinc/20/45/07/1026204507.db2.gz HBHSSFYWMMCXCQ-UHFFFAOYSA-N 1 0 399.926 3.850 20 30 GHEDRO N#CCc1cc(NC2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc[nH+]1 ZINC001163572087 1026240184 /nfs/dbraw/zinc/24/01/84/1026240184.db2.gz PWZJHOJMWRTNAL-UHFFFAOYSA-N 1 0 392.478 3.625 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(-c3cnccn3)cc1)CCO2 ZINC001139392295 1026261845 /nfs/dbraw/zinc/26/18/45/1026261845.db2.gz GZUYBUZXNDPHAR-JTHBVZDNSA-N 1 0 379.504 3.717 20 30 GHEDRO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163650548 1026265863 /nfs/dbraw/zinc/26/58/63/1026265863.db2.gz RUTKRFIGHNGZEL-VXJOIVPMSA-N 1 0 386.311 3.975 20 30 GHEDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139403327 1026274650 /nfs/dbraw/zinc/27/46/50/1026274650.db2.gz ORIPRWCNQVCPMX-XMMPIXPASA-N 1 0 388.515 3.987 20 30 GHEDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139404294 1026276146 /nfs/dbraw/zinc/27/61/46/1026276146.db2.gz ZCKYTDFXHVZBLQ-JTHBVZDNSA-N 1 0 377.488 3.780 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCN(c4cc(Cl)ccn4)CC3)cc2)c1 ZINC001139406992 1026280500 /nfs/dbraw/zinc/28/05/00/1026280500.db2.gz MCAYABKEEKUKMN-UHFFFAOYSA-N 1 0 389.890 3.991 20 30 GHEDRO CC1(C(=O)N2CCCC2)CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406937 1026280961 /nfs/dbraw/zinc/28/09/61/1026280961.db2.gz JZWLGAXZXCRIAI-UHFFFAOYSA-N 1 0 388.515 3.845 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)C1=O ZINC001139411912 1026283607 /nfs/dbraw/zinc/28/36/07/1026283607.db2.gz DNHXXGSCALHVIV-UHFFFAOYSA-N 1 0 395.572 3.710 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(-n2c3ccccc3nc2C2CC[NH2+]CC2)n1 ZINC001163758417 1026303841 /nfs/dbraw/zinc/30/38/41/1026303841.db2.gz GDWGCARUEYTIOG-UHFFFAOYSA-N 1 0 384.896 3.529 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001139689906 1026542249 /nfs/dbraw/zinc/54/22/49/1026542249.db2.gz XWOFMFSURDRDDT-MJGOQNOKSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CCC[C@@H](NC(=O)c4ccc(F)cc4)C3)c[nH]c21 ZINC001139706817 1026550703 /nfs/dbraw/zinc/55/07/03/1026550703.db2.gz JCGXDGZTRQVBAH-LJQANCHMSA-N 1 0 376.435 3.573 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139706086 1026551264 /nfs/dbraw/zinc/55/12/64/1026551264.db2.gz KUYNWTNYJCOTNE-FUHWJXTLSA-N 1 0 380.492 3.728 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCOCC3)C2)cc1C#N ZINC001139725294 1026568957 /nfs/dbraw/zinc/56/89/57/1026568957.db2.gz KCUCEOLOUYGEBE-BJKOFHAPSA-N 1 0 398.547 3.681 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001165107743 1026611217 /nfs/dbraw/zinc/61/12/17/1026611217.db2.gz TYQBONLWSHCEHT-CYBMUJFWSA-N 1 0 375.250 3.773 20 30 GHEDRO CN(C[C@H]1CC[NH2+]C1)C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001165124612 1026619745 /nfs/dbraw/zinc/61/97/45/1026619745.db2.gz JNGCGZDPFZMDMY-AWEZNQCLSA-N 1 0 376.838 3.864 20 30 GHEDRO CN(CC[NH+]1CCCC1)C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001165141336 1026631981 /nfs/dbraw/zinc/63/19/81/1026631981.db2.gz JZTUSTXUJRHSPA-UHFFFAOYSA-N 1 0 391.853 3.746 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(COC)s3)C2)CC1 ZINC001139824275 1026643675 /nfs/dbraw/zinc/64/36/75/1026643675.db2.gz SDYTUCJYHCWLDJ-UHFFFAOYSA-N 1 0 378.538 3.895 20 30 GHEDRO N#Cc1nc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c(Cl)cc1Cl ZINC001165267452 1026685612 /nfs/dbraw/zinc/68/56/12/1026685612.db2.gz COFWLRKZDPJSLR-CYBMUJFWSA-N 1 0 379.213 3.771 20 30 GHEDRO COCC[N@H+](Cc1cc(F)cc(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139876465 1026691783 /nfs/dbraw/zinc/69/17/83/1026691783.db2.gz ZEZCGXRZHNGSFY-UHFFFAOYSA-N 1 0 391.487 3.545 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC001139876670 1026691909 /nfs/dbraw/zinc/69/19/09/1026691909.db2.gz ISABYBUMIUYNTI-GOTSBHOMSA-N 1 0 395.478 3.680 20 30 GHEDRO COCCC[N@H+](Cc1cc(F)cc(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139879302 1026696329 /nfs/dbraw/zinc/69/63/29/1026696329.db2.gz JKAYFXRVHHFQSL-IBGZPJMESA-N 1 0 391.487 3.545 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc5ccccc5cn4)C3)CC2=O)c1 ZINC001139998591 1026788759 /nfs/dbraw/zinc/78/87/59/1026788759.db2.gz ZSDODDWQJOKUJV-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001140017427 1026799426 /nfs/dbraw/zinc/79/94/26/1026799426.db2.gz CURVSLAMLOKWSW-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO Cc1cccc(N(c2ccc(C3(C#N)CCC3)cn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165775362 1026833614 /nfs/dbraw/zinc/83/36/14/1026833614.db2.gz ZXZPGQMIRRUWOA-ZJSXRUAMSA-N 1 0 388.515 3.994 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](c4noc(C(F)(F)F)n4)C3)c2c1 ZINC001140115068 1026897198 /nfs/dbraw/zinc/89/71/98/1026897198.db2.gz LRSQBOWRKKKSRU-GFCCVEGCSA-N 1 0 375.354 3.821 20 30 GHEDRO Cc1ccc(N(c2ncc(Cl)cc2C#N)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166312346 1026971214 /nfs/dbraw/zinc/97/12/14/1026971214.db2.gz HUVBYDRCRKLTQG-UHFFFAOYSA-N 1 0 390.878 3.863 20 30 GHEDRO Cc1ccc(N(c2nc3c(cc2C#N)CCC3)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166312753 1026971997 /nfs/dbraw/zinc/97/19/97/1026971997.db2.gz MENYRRJLWUUANE-UHFFFAOYSA-N 1 0 396.498 3.698 20 30 GHEDRO Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)[nH+]c1C ZINC001166451335 1027004799 /nfs/dbraw/zinc/00/47/99/1027004799.db2.gz KHCNYZPGHLAZPZ-HSZRJFAPSA-N 1 0 376.504 3.694 20 30 GHEDRO N#Cc1cc(Cl)nnc1N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001166495217 1027014280 /nfs/dbraw/zinc/01/42/80/1027014280.db2.gz HYPSITXMTGNOEU-UHFFFAOYSA-N 1 0 376.807 3.513 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC001166902158 1027143043 /nfs/dbraw/zinc/14/30/43/1027143043.db2.gz HCVNGMZNJYTQHY-QGZVFWFLSA-N 1 0 383.883 3.762 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001141775307 1027212569 /nfs/dbraw/zinc/21/25/69/1027212569.db2.gz MOPFZKZLCBSFKO-HARLFGEKSA-N 1 0 391.515 3.741 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccc(OC)c3OC)CC2)C1 ZINC001203439596 1027338781 /nfs/dbraw/zinc/33/87/81/1027338781.db2.gz MVJFIEUPZXPVPU-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO Cc1cc(Nc2ccc(Br)cc2OCC[NH+](C)C)cnc1C#N ZINC001210207733 1027385760 /nfs/dbraw/zinc/38/57/60/1027385760.db2.gz MHOVQSSNWCCANX-UHFFFAOYSA-N 1 0 375.270 3.708 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc(OC)c1O ZINC001461233308 1069454455 /nfs/dbraw/zinc/45/44/55/1069454455.db2.gz MHHDQJAIYBPNGO-WZONZLPQSA-N 1 0 396.531 3.508 20 30 GHEDRO C=C(C)c1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC001210299282 1027435404 /nfs/dbraw/zinc/43/54/04/1027435404.db2.gz DSYLSJGZPCKKJI-UNMCSNQZSA-N 1 0 379.504 3.724 20 30 GHEDRO CCCc1c(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)cnn1-c1cccc(C#N)c1 ZINC001203573124 1027440781 /nfs/dbraw/zinc/44/07/81/1027440781.db2.gz NYDDBSYTEFZGGX-GOSISDBHSA-N 1 0 394.523 3.550 20 30 GHEDRO Cc1cc(C#N)cc(Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)c1 ZINC001210391509 1027484234 /nfs/dbraw/zinc/48/42/34/1027484234.db2.gz TVXWMMNZPMHWQY-UHFFFAOYSA-N 1 0 398.466 3.921 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c1 ZINC001203761523 1027584034 /nfs/dbraw/zinc/58/40/34/1027584034.db2.gz BIZXFYGRZVKUNH-NRFANRHFSA-N 1 0 377.488 3.651 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)c1 ZINC001203763054 1027585370 /nfs/dbraw/zinc/58/53/70/1027585370.db2.gz YZCVHHCSSLLYCD-UHFFFAOYSA-N 1 0 388.496 3.868 20 30 GHEDRO CC(=O)N1CCCC[C@@]12CCCN(Cc1cc(Br)ccc1C#N)C2 ZINC001141900685 1027620941 /nfs/dbraw/zinc/62/09/41/1027620941.db2.gz BRNWFVSPLNFBAZ-IBGZPJMESA-N 1 0 390.325 3.688 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)cc1 ZINC001203903715 1027696617 /nfs/dbraw/zinc/69/66/17/1027696617.db2.gz MPUJJKMDNUKTBG-IRLDBZIGSA-N 1 0 381.451 3.542 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203905564 1027698208 /nfs/dbraw/zinc/69/82/08/1027698208.db2.gz SHAKEQAELZCRDZ-HXUWFJFHSA-N 1 0 387.524 3.796 20 30 GHEDRO CSc1nc(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)ccc1C#N ZINC001141945803 1027726590 /nfs/dbraw/zinc/72/65/90/1027726590.db2.gz NDQCNLYETIJBDE-UHFFFAOYSA-N 1 0 378.545 3.773 20 30 GHEDRO COc1ccc(O)c(/C=N/C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000840705989 1027746233 /nfs/dbraw/zinc/74/62/33/1027746233.db2.gz JLLGJIPJNBRFGV-PFRKPPGBSA-N 1 0 394.515 3.749 20 30 GHEDRO C#CCCCS(=O)(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000840945269 1027976753 /nfs/dbraw/zinc/97/67/53/1027976753.db2.gz GYWJZAIGMFWCSQ-NRFANRHFSA-N 1 0 392.565 3.621 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001213369446 1028144072 /nfs/dbraw/zinc/14/40/72/1028144072.db2.gz RGTAFROWENXSAC-NRFANRHFSA-N 1 0 397.544 3.590 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001142196160 1028338566 /nfs/dbraw/zinc/33/85/66/1028338566.db2.gz CJVZWLKOLJDNLT-REWPJTCUSA-N 1 0 387.520 3.968 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841259946 1028344910 /nfs/dbraw/zinc/34/49/10/1028344910.db2.gz WCQOXSGFIXLQHW-UHFFFAOYSA-N 1 0 382.302 3.748 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)OC[C@H]2CCC[NH2+]2)cc1 ZINC000841277939 1028364566 /nfs/dbraw/zinc/36/45/66/1028364566.db2.gz PHPWWGFISAVTQR-GOSISDBHSA-N 1 0 399.516 3.877 20 30 GHEDRO C=C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1ccccc1 ZINC001142411313 1028836130 /nfs/dbraw/zinc/83/61/30/1028836130.db2.gz MDEXBKDAXOBSTM-XPWALMASSA-N 1 0 378.516 3.610 20 30 GHEDRO C=CCSc1ncccc1-c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001214967858 1028980791 /nfs/dbraw/zinc/98/07/91/1028980791.db2.gz AVGFUCFHNSUSOS-UHFFFAOYSA-N 1 0 393.516 3.829 20 30 GHEDRO C#CC[C@H](CO)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC001461529999 1069593888 /nfs/dbraw/zinc/59/38/88/1069593888.db2.gz SDANOUGLKXIIQW-OAQYLSRUSA-N 1 0 385.467 3.818 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC000842681955 1029487930 /nfs/dbraw/zinc/48/79/30/1029487930.db2.gz KQIKMXVDKFSKCQ-QWFCFKBJSA-N 1 0 377.573 3.652 20 30 GHEDRO O=C(C#Cc1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001142860337 1029596547 /nfs/dbraw/zinc/59/65/47/1029596547.db2.gz ZQYJYGRSMAGCAZ-UHFFFAOYSA-N 1 0 395.506 3.999 20 30 GHEDRO C[NH+](C)C[C@H](NCc1cc(C#N)ccc1Br)c1ccc(F)cc1 ZINC001461555589 1069607558 /nfs/dbraw/zinc/60/75/58/1069607558.db2.gz UULNJEPRSAGJJG-SFHVURJKSA-N 1 0 376.273 3.852 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CCC4(C3)CCN(C(=O)c3cccnc3)CC4)c[nH]c2c1 ZINC001142917114 1029690144 /nfs/dbraw/zinc/69/01/44/1029690144.db2.gz SBMQGIQOYLGMQY-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO COc1c(F)cc(SC)cc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001216582505 1029692761 /nfs/dbraw/zinc/69/27/61/1029692761.db2.gz MNBONCQSRLQREQ-UHFFFAOYSA-N 1 0 386.496 3.923 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3cccc(CN4CC[NH2+]CC4)c3)n2)c(F)c1 ZINC001216761962 1029923169 /nfs/dbraw/zinc/92/31/69/1029923169.db2.gz SFXDOHNLKNKIII-UHFFFAOYSA-N 1 0 394.450 3.513 20 30 GHEDRO COC(=O)c1ccc2[nH]cc(C[N@@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)c2c1 ZINC001143241621 1029939130 /nfs/dbraw/zinc/93/91/30/1029939130.db2.gz YAMYLBOHEXETFQ-FQEVSTJZSA-N 1 0 389.455 3.870 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC000843392586 1029962164 /nfs/dbraw/zinc/96/21/64/1029962164.db2.gz GVMMHYMYRCKQFE-UHFFFAOYSA-N 1 0 398.453 3.505 20 30 GHEDRO COc1ccc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)cc1OCCCC#N ZINC000843422505 1029997020 /nfs/dbraw/zinc/99/70/20/1029997020.db2.gz WXAOYPCVXWFZCQ-HSZRJFAPSA-N 1 0 380.488 3.644 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3ccccc3N3CC[NH2+]CC3)n2)c(F)c1 ZINC001216943367 1030015422 /nfs/dbraw/zinc/01/54/22/1030015422.db2.gz DZXLLHCOCODJFB-UHFFFAOYSA-N 1 0 380.423 3.517 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4cc(C#N)ccc4Cl)n3)c2)CC1 ZINC001216975746 1030045349 /nfs/dbraw/zinc/04/53/49/1030045349.db2.gz VCAWCKAXCNHFQW-UHFFFAOYSA-N 1 0 393.878 3.676 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4ccc(Cl)c(C#N)c4)n3)c2)CC1 ZINC001216978971 1030048936 /nfs/dbraw/zinc/04/89/36/1030048936.db2.gz RADLDLWIXKXYOY-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1C(F)(F)F ZINC001143343244 1030052681 /nfs/dbraw/zinc/05/26/81/1030052681.db2.gz KBTNEASSYCNYBG-ZIAGYGMSSA-N 1 0 389.311 3.941 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC001461628718 1069648048 /nfs/dbraw/zinc/64/80/48/1069648048.db2.gz GRTUXKJVXDQRMX-ZAHGZRRWSA-N 1 0 384.520 3.796 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276860015 1030389644 /nfs/dbraw/zinc/38/96/44/1030389644.db2.gz CRGQETVOCFPKKF-FQEVSTJZSA-N 1 0 378.900 3.500 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC001217648096 1030571794 /nfs/dbraw/zinc/57/17/94/1030571794.db2.gz ZJBRKVBZHWIRDT-UHFFFAOYSA-N 1 0 379.302 3.657 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC001223545592 1030630569 /nfs/dbraw/zinc/63/05/69/1030630569.db2.gz FRQDOIQPZVBYGG-OAQYLSRUSA-N 1 0 396.922 3.890 20 30 GHEDRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC001217730047 1030631695 /nfs/dbraw/zinc/63/16/95/1030631695.db2.gz AQZQUKOUUJSZPY-UHFFFAOYSA-N 1 0 396.539 3.847 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217951194 1030684515 /nfs/dbraw/zinc/68/45/15/1030684515.db2.gz TZWRTLCKTBHNBR-UXHICEINSA-N 1 0 397.446 3.868 20 30 GHEDRO O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001217962190 1030690567 /nfs/dbraw/zinc/69/05/67/1030690567.db2.gz PITYNYYPANWQBL-VDRYCUIASA-N 1 0 391.467 3.778 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CCC[NH2+]CC2)c1OC ZINC001217997806 1030713980 /nfs/dbraw/zinc/71/39/80/1030713980.db2.gz XGZGTDVPVZFWLK-SXSDINLZSA-N 1 0 397.471 3.826 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H](C)C3CC[NH2+]CC3)c(C#N)c2)nc1C ZINC001218004771 1030716462 /nfs/dbraw/zinc/71/64/62/1030716462.db2.gz GULXPZBSAKPKCH-CQSZACIVSA-N 1 0 399.516 3.934 20 30 GHEDRO COc1cc(O[C@@H]2CSC3(C[NH2+]C3)C2)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218103574 1030774269 /nfs/dbraw/zinc/77/42/69/1030774269.db2.gz RIDUWNFDRKXFME-URPWPPKMSA-N 1 0 397.496 3.523 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)cc2)C=C1 ZINC001218145595 1030795388 /nfs/dbraw/zinc/79/53/88/1030795388.db2.gz IBWZQBNJTLJULL-FZWXVRBQSA-N 1 0 385.463 3.876 20 30 GHEDRO Cc1cc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218145366 1030795613 /nfs/dbraw/zinc/79/56/13/1030795613.db2.gz CUYWTDIVUDLBIP-QHSMHBTMSA-N 1 0 379.456 3.597 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218146120 1030795788 /nfs/dbraw/zinc/79/57/88/1030795788.db2.gz JDCNITKYWMWAMR-PSLYDFKZSA-N 1 0 391.515 3.697 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c2)cc1OC ZINC001218149600 1030799064 /nfs/dbraw/zinc/79/90/64/1030799064.db2.gz QIRKJRBLBYYCGL-APNKXXHNSA-N 1 0 379.456 3.587 20 30 GHEDRO C[NH2+][C@H]1CC[C@H](Oc2cc(/C=C/C(=O)c3ccc(O)cc3OC)ccc2O)CC1 ZINC001218187550 1030814306 /nfs/dbraw/zinc/81/43/06/1030814306.db2.gz JHZIXLFPCPHVPV-ORFBHMLVSA-N 1 0 397.471 3.912 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 ZINC001218201063 1030825187 /nfs/dbraw/zinc/82/51/87/1030825187.db2.gz JZPZKWNAGVAAMO-GTNSWQLSSA-N 1 0 376.243 3.736 20 30 GHEDRO CC(C)=CCC/C(C)=C/Cc1cc(O[C@H]2C[NH2+]C[C@H]2C#N)cc2c1OC(=O)C2 ZINC001218204403 1030827032 /nfs/dbraw/zinc/82/70/32/1030827032.db2.gz VYFOPBMCPOEIIJ-DLOFNZIZSA-N 1 0 380.488 3.874 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1ncnc2cc(OCc3ccccc3)c(OC)cc21 ZINC001218205345 1030828863 /nfs/dbraw/zinc/82/88/63/1030828863.db2.gz FJTYSUMUQRQZQH-OAQYLSRUSA-N 1 0 377.444 3.514 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(C(=O)CCc2ccc(OC)cc2OC)cc1 ZINC001218206990 1030829008 /nfs/dbraw/zinc/82/90/08/1030829008.db2.gz FSNIXNPVAAJCRG-HSZRJFAPSA-N 1 0 381.472 3.816 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001218241232 1030847660 /nfs/dbraw/zinc/84/76/60/1030847660.db2.gz QKPZGJVXKZALCU-GOSISDBHSA-N 1 0 387.483 3.635 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001224170721 1030910576 /nfs/dbraw/zinc/91/05/76/1030910576.db2.gz PJIABMYUBWKYAJ-NPHXMPSESA-N 1 0 390.483 3.772 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)NCC#C[C@H]1CCCCO1)C1CCCCC1 ZINC001224245577 1030939796 /nfs/dbraw/zinc/93/97/96/1030939796.db2.gz WLLGHIQETHZFER-HSZRJFAPSA-N 1 0 397.563 3.823 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)c2)cc1OC ZINC001218445445 1030940224 /nfs/dbraw/zinc/94/02/24/1030940224.db2.gz VSCHBFJCWZLGTR-AUGYBBAJSA-N 1 0 379.456 3.729 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218561133 1030986458 /nfs/dbraw/zinc/98/64/58/1030986458.db2.gz XJFOHOAQZPKVEI-GOSISDBHSA-N 1 0 376.504 3.862 20 30 GHEDRO O=C(Nc1cc2ccccc2s1)c1cccc(NC(=O)[C@@H]2C[C@H](S)C[NH2+]2)c1 ZINC001218581504 1030994050 /nfs/dbraw/zinc/99/40/50/1030994050.db2.gz ODIIOWQEGYVBTD-HOTGVXAUSA-N 1 0 397.525 3.752 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 ZINC001218612571 1031005941 /nfs/dbraw/zinc/00/59/41/1031005941.db2.gz BLVZHEMWKLLASS-SFHVURJKSA-N 1 0 394.381 3.532 20 30 GHEDRO N#Cc1sccc1NC(=O)[C@@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC001218623654 1031007827 /nfs/dbraw/zinc/00/78/27/1031007827.db2.gz AHIQYODUWNUCCW-KRWDZBQOSA-N 1 0 390.306 3.686 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=O)[C@@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)cc1 ZINC001218808660 1031086801 /nfs/dbraw/zinc/08/68/01/1031086801.db2.gz IJBRHTSDPSKPPA-VGOFRKELSA-N 1 0 376.504 3.657 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(-c3ccc(N)cc3)cc2)C1 ZINC001218861103 1031122905 /nfs/dbraw/zinc/12/29/05/1031122905.db2.gz BXOIZIPTHLUERV-OSPHWJPCSA-N 1 0 396.494 3.967 20 30 GHEDRO CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc4c[nH+]cn4c3)c(C#N)c21 ZINC001152187537 1031139544 /nfs/dbraw/zinc/13/95/44/1031139544.db2.gz PHYHQBJTHIXAMX-AWEZNQCLSA-N 1 0 394.456 3.503 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)ccc1N1CCCCC1 ZINC001218944969 1031168382 /nfs/dbraw/zinc/16/83/82/1031168382.db2.gz RNCNHWMFNJPAPG-OAQYLSRUSA-N 1 0 399.498 3.605 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc1OC ZINC001152411139 1031225595 /nfs/dbraw/zinc/22/55/95/1031225595.db2.gz NJANGYZTBYQDSV-HXUWFJFHSA-N 1 0 380.488 3.573 20 30 GHEDRO COc1ccc(CCCO[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1OC ZINC001225072286 1031242932 /nfs/dbraw/zinc/24/29/32/1031242932.db2.gz GZZCDSLYYLALFD-OAQYLSRUSA-N 1 0 380.488 3.799 20 30 GHEDRO Cc1cc(C#N)c(F)cc1NC(=O)C[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC001219112886 1031257857 /nfs/dbraw/zinc/25/78/57/1031257857.db2.gz YSLIIVBQENKZPK-OAHLLOKOSA-N 1 0 379.357 3.923 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001219366871 1031381310 /nfs/dbraw/zinc/38/13/10/1031381310.db2.gz OHAWXTYNNPHCGE-HOTGVXAUSA-N 1 0 379.464 3.610 20 30 GHEDRO O=C(Nc1ccc(F)c(C2CC2)c1)c1cccc(NC(=O)[C@@H]2C[C@H](S)C[NH2+]2)c1 ZINC001219450789 1031424267 /nfs/dbraw/zinc/42/42/67/1031424267.db2.gz AFGDJDKEIOVNBN-LPHOPBHVSA-N 1 0 399.491 3.554 20 30 GHEDRO N#Cc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc3c(c2)N(Cc2ccccc2)CC3)c1 ZINC001219518626 1031469016 /nfs/dbraw/zinc/46/90/16/1031469016.db2.gz RUXACWNLPAGVNR-QHCPKHFHSA-N 1 0 396.494 3.629 20 30 GHEDRO N#CCc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cccc(C(F)(F)F)c2)ccc1F ZINC001219518334 1031469208 /nfs/dbraw/zinc/46/92/08/1031469208.db2.gz GRXDADVOCPGSDE-SJORKVTESA-N 1 0 391.368 3.852 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(OC)c(C#N)cc2F)C1 ZINC001219580733 1031509889 /nfs/dbraw/zinc/50/98/89/1031509889.db2.gz IJPLYOMBSAJZQN-AWEZNQCLSA-N 1 0 376.476 3.728 20 30 GHEDRO COC(=O)C1=C[C@@H](Oc2ccc(C#N)cc2Cl)CN(Cc2ccccc2)C1 ZINC001225729801 1031568719 /nfs/dbraw/zinc/56/87/19/1031568719.db2.gz QYFWNBMTDYPWJO-GOSISDBHSA-N 1 0 382.847 3.574 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)NCCCCC[NH+]3CCCCC3)cn2)cc1 ZINC001219855403 1031656126 /nfs/dbraw/zinc/65/61/26/1031656126.db2.gz AJWQCNZUCYRBHM-UHFFFAOYSA-N 1 0 394.523 3.581 20 30 GHEDRO O=C(N=C(NO)c1ccc(OC(F)(F)F)cc1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001219915752 1031692470 /nfs/dbraw/zinc/69/24/70/1031692470.db2.gz AHGDLYJILATWCJ-MRXNPFEDSA-N 1 0 393.365 3.576 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(-c3csc(N)n3)cc2)C1 ZINC001226025966 1031747781 /nfs/dbraw/zinc/74/77/81/1031747781.db2.gz HGJAVRDJQLLUQR-IBGZPJMESA-N 1 0 376.485 3.917 20 30 GHEDRO C#Cc1ccc(CNC(=O)C[C@@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)cc1 ZINC001220382212 1031919972 /nfs/dbraw/zinc/91/99/72/1031919972.db2.gz SQCURMHEOQCWKG-LJQANCHMSA-N 1 0 376.475 3.622 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2c(F)ccc(F)c2C1)C(C)C ZINC001220598548 1032003267 /nfs/dbraw/zinc/00/32/67/1032003267.db2.gz WGHLMFJFNCWKOU-HXUWFJFHSA-N 1 0 377.479 3.731 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001226550794 1032008853 /nfs/dbraw/zinc/00/88/53/1032008853.db2.gz UHEJRPDNJGVRAC-HXUWFJFHSA-N 1 0 379.504 3.921 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC001220663894 1032049715 /nfs/dbraw/zinc/04/97/15/1032049715.db2.gz QMLBMQAPQDCWAV-CDXJDZJCSA-N 1 0 399.560 3.655 20 30 GHEDRO N#Cc1ccc2c(c1)n[nH]c2C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001156884146 1033302238 /nfs/dbraw/zinc/30/22/38/1033302238.db2.gz IFKWVBFFEWMVNK-FQEVSTJZSA-N 1 0 399.498 3.704 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc(OC)c1O ZINC001461836270 1069780137 /nfs/dbraw/zinc/78/01/37/1069780137.db2.gz MHCRSPGIMOINSQ-AUSIDOKSSA-N 1 0 381.472 3.902 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)ccc1F ZINC001205467490 1033425661 /nfs/dbraw/zinc/42/56/61/1033425661.db2.gz SJHXJPKVAUBBDR-OAQYLSRUSA-N 1 0 383.492 3.887 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4c(C#N)c[nH]c43)cc2F)CC1 ZINC001157167798 1033443755 /nfs/dbraw/zinc/44/37/55/1033443755.db2.gz ICWIGQRDIGISHS-UHFFFAOYSA-N 1 0 391.450 3.573 20 30 GHEDRO CC[N@@H+]1CC[C@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)C1 ZINC001229383165 1033450755 /nfs/dbraw/zinc/45/07/55/1033450755.db2.gz CYXPPTBGCWLKSC-QJUQNUTOSA-N 1 0 379.504 3.793 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC001461854615 1069794635 /nfs/dbraw/zinc/79/46/35/1069794635.db2.gz QNDCYRSQZQDIBX-UHFFFAOYSA-N 1 0 380.467 3.614 20 30 GHEDRO Cc1nc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c(Cl)cc1C#N ZINC001157329565 1033537669 /nfs/dbraw/zinc/53/76/69/1033537669.db2.gz VXHRZMYFRHUARK-UHFFFAOYSA-N 1 0 378.867 3.748 20 30 GHEDRO C#C[C@H](CC)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001229533223 1033543821 /nfs/dbraw/zinc/54/38/21/1033543821.db2.gz ZWSWENHXUUADDX-BHIFYINESA-N 1 0 379.479 3.505 20 30 GHEDRO C[NH2+][C@H]1CCCN(Cc2nc(-c3ccc(Oc4ccc(C#N)cc4)cc3)no2)C1 ZINC001205884266 1033620816 /nfs/dbraw/zinc/62/08/16/1033620816.db2.gz ABYPVOTWNSGDGM-SFHVURJKSA-N 1 0 389.459 3.584 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001157527178 1033640879 /nfs/dbraw/zinc/64/08/79/1033640879.db2.gz BRKJZUXKFIPFED-JOCHJYFZSA-N 1 0 395.453 3.775 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC001157612314 1033691213 /nfs/dbraw/zinc/69/12/13/1033691213.db2.gz GHMKIBXUTPQYQE-ZHACJKMWSA-N 1 0 385.467 3.631 20 30 GHEDRO C[C@@H]1CN(Cc2cc(Oc3ccc(C#N)cc3)ccc2Br)C[C@H]1[NH3+] ZINC001206070695 1033710243 /nfs/dbraw/zinc/71/02/43/1033710243.db2.gz QCELQSDLMYPDHK-BFUOFWGJSA-N 1 0 386.293 3.892 20 30 GHEDRO COC(=O)C1=C[C@H](Oc2ccc(C3(C#N)CC3)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001229943409 1033805952 /nfs/dbraw/zinc/80/59/52/1033805952.db2.gz GOPGRDRXDBKFEZ-QFIPXVFZSA-N 1 0 388.467 3.604 20 30 GHEDRO Cc1cnc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)c(/C=N/O)c1 ZINC001158087358 1033907095 /nfs/dbraw/zinc/90/70/95/1033907095.db2.gz IIINOZXPOSQZAE-LGJNPRDNSA-N 1 0 392.425 3.976 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc([C@@H](N)CSCC[NH3+])n2)cc1 ZINC001206630233 1033930412 /nfs/dbraw/zinc/93/04/12/1033930412.db2.gz GPGFTVHKBKUBMO-KRWDZBQOSA-N 1 0 378.542 3.778 20 30 GHEDRO CCN([C@@H]1CCC[NH2+]C1)C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001158207446 1033963899 /nfs/dbraw/zinc/96/38/99/1033963899.db2.gz LIVSJANWCLPMKK-OAHLLOKOSA-N 1 0 391.853 3.792 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)cc1C#N ZINC001207103248 1034094370 /nfs/dbraw/zinc/09/43/70/1034094370.db2.gz RCGCTAUIIFEIKO-XLIONFOSSA-N 1 0 392.503 3.867 20 30 GHEDRO C[C@H]1C[C@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001207175179 1034145830 /nfs/dbraw/zinc/14/58/30/1034145830.db2.gz RCUCFISLUUABNO-AZUAARDMSA-N 1 0 398.551 3.716 20 30 GHEDRO N#Cc1ccccc1OC1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001158771786 1034266428 /nfs/dbraw/zinc/26/64/28/1034266428.db2.gz CNNYPMYJKVNYJF-UHFFFAOYSA-N 1 0 396.494 3.779 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+](C[C@H]2CC=C(CCCC(C)(C)O)CC2)CC1 ZINC001207410893 1034349555 /nfs/dbraw/zinc/34/95/55/1034349555.db2.gz FCXCORIUSRHBOT-IBGZPJMESA-N 1 0 376.541 3.823 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001159011565 1034379625 /nfs/dbraw/zinc/37/96/25/1034379625.db2.gz XXERABWFZMUOOK-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2c(C#N)c(Cl)nc3cccc(Cl)c32)O1 ZINC001159245853 1034502974 /nfs/dbraw/zinc/50/29/74/1034502974.db2.gz WDCIATFWDNZWKR-HBUWYVDXSA-N 1 0 395.290 3.550 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001207639440 1034503618 /nfs/dbraw/zinc/50/36/18/1034503618.db2.gz PYWUJDGSWNTDKA-HSZRJFAPSA-N 1 0 398.551 3.990 20 30 GHEDRO COC(=O)c1sc2cc(OC)ccc2c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159268360 1034513120 /nfs/dbraw/zinc/51/31/20/1034513120.db2.gz KTKGFDUNGQSQCQ-UHFFFAOYSA-N 1 0 393.468 3.999 20 30 GHEDRO COc1ccc(Nc2sc3c(c2C(=O)OC(C)(C)C)CC[NH2+]C3)c(C#N)c1 ZINC001159271849 1034515487 /nfs/dbraw/zinc/51/54/87/1034515487.db2.gz KHORPTSUBYRKNN-UHFFFAOYSA-N 1 0 385.489 3.973 20 30 GHEDRO C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001231399703 1034562076 /nfs/dbraw/zinc/56/20/76/1034562076.db2.gz IVPUUQLHJNCCDO-LADGPHEKSA-N 1 0 387.527 3.983 20 30 GHEDRO N#Cc1cc(Nc2ccc3nc(-c4cccc(F)c4)nn3c2)cc(C2C[NH2+]C2)c1 ZINC001159416079 1034590530 /nfs/dbraw/zinc/59/05/30/1034590530.db2.gz HWTDJMOLOBYCDE-UHFFFAOYSA-N 1 0 384.418 3.837 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001159443527 1034598096 /nfs/dbraw/zinc/59/80/96/1034598096.db2.gz ABZHTJVYIOIGCR-GPXNEJASSA-N 1 0 399.579 3.999 20 30 GHEDRO C=CCCCCCCCCC[N@@H+]1CCCn2c(CN3CCCC3=O)nnc2C1 ZINC001207899059 1034642332 /nfs/dbraw/zinc/64/23/32/1034642332.db2.gz KUPTVWORTYEHSM-UHFFFAOYSA-N 1 0 387.572 3.913 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CCOC[C@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001207898721 1034642887 /nfs/dbraw/zinc/64/28/87/1034642887.db2.gz DHESQYLIYQKJEH-HSZRJFAPSA-N 1 0 394.600 3.879 20 30 GHEDRO Cc1cc(C#N)cc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)n1 ZINC001159582159 1034679393 /nfs/dbraw/zinc/67/93/93/1034679393.db2.gz GHJRXADWGCVLDM-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO N#CC1(c2ccc(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)nc2)CCC1 ZINC001159625952 1034692343 /nfs/dbraw/zinc/69/23/43/1034692343.db2.gz PXEBRSUAQVEIFN-HZCBDIJESA-N 1 0 393.579 3.778 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)CC1 ZINC001208171193 1034770758 /nfs/dbraw/zinc/77/07/58/1034770758.db2.gz QLTNPLCPKMLVTJ-ZJSXRUAMSA-N 1 0 379.548 3.712 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC001231617526 1034773353 /nfs/dbraw/zinc/77/33/53/1034773353.db2.gz YIWPGRXNBDNXEG-UHFFFAOYSA-N 1 0 385.508 3.836 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001231616655 1034773546 /nfs/dbraw/zinc/77/35/46/1034773546.db2.gz HKOXCGYYGVUPSP-QFIPXVFZSA-N 1 0 385.508 3.932 20 30 GHEDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC)C[C@H]1c1ccccc1 ZINC001231619877 1034777949 /nfs/dbraw/zinc/77/79/49/1034777949.db2.gz KVHOHVPPMBVYKI-SFTDATJTSA-N 1 0 378.472 3.736 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](Oc3ncc(Br)cn3)C2)CC1 ZINC001208177587 1034777983 /nfs/dbraw/zinc/77/79/83/1034777983.db2.gz VDSZLVDDSFRMNM-WBVHZDCISA-N 1 0 378.314 3.995 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001231621700 1034779042 /nfs/dbraw/zinc/77/90/42/1034779042.db2.gz HSIXKQLIWNHBCO-WZONZLPQSA-N 1 0 377.488 3.521 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)c1 ZINC001231623179 1034783739 /nfs/dbraw/zinc/78/37/39/1034783739.db2.gz WONYHWYWPLJPMB-QFIPXVFZSA-N 1 0 397.544 3.641 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1 ZINC001231623889 1034784089 /nfs/dbraw/zinc/78/40/89/1034784089.db2.gz AEIHYSHJFHMQTH-UHFFFAOYSA-N 1 0 382.426 3.628 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c1 ZINC001231658045 1034814641 /nfs/dbraw/zinc/81/46/41/1034814641.db2.gz XPAQHORCYSNKIK-RPBOFIJWSA-N 1 0 390.527 3.959 20 30 GHEDRO N#Cc1c(F)c(I)ccc1Nc1cccc2c1CC[NH2+]C2 ZINC001160033850 1034838836 /nfs/dbraw/zinc/83/88/36/1034838836.db2.gz VTWDRXIFTSBTMN-UHFFFAOYSA-N 1 0 393.203 3.691 20 30 GHEDRO CCOC(=O)c1cc(C)cnc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160100753 1034860297 /nfs/dbraw/zinc/86/02/97/1034860297.db2.gz RYVUQGUMLCANKP-UHFFFAOYSA-N 1 0 378.476 3.537 20 30 GHEDRO Cc1c(Cl)ccc(C[NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)c1F ZINC001277563920 1034898587 /nfs/dbraw/zinc/89/85/87/1034898587.db2.gz XPFJZTAVVUPUFH-UHFFFAOYSA-N 1 0 377.891 3.906 20 30 GHEDRO N#Cc1c(NCCc2ccc(OCc3ccccn3)cc2)ncc2c1CCC[NH2+]C2 ZINC001160225184 1034908131 /nfs/dbraw/zinc/90/81/31/1034908131.db2.gz SEUBLHJDDMZMRQ-UHFFFAOYSA-N 1 0 399.498 3.618 20 30 GHEDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(N(C)CCC#N)cc2)o1 ZINC001231816947 1034926673 /nfs/dbraw/zinc/92/66/73/1034926673.db2.gz FPKBDWGOYQQAJR-PKTZIBPZSA-N 1 0 378.520 3.787 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)cc1 ZINC001231817001 1034926684 /nfs/dbraw/zinc/92/66/84/1034926684.db2.gz UMZLLXUSRZTIMY-PZJWPPBQSA-N 1 0 398.551 3.868 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC001231820626 1034928213 /nfs/dbraw/zinc/92/82/13/1034928213.db2.gz IBMYRHBBAGQDNK-CTNGQTDRSA-N 1 0 398.551 3.868 20 30 GHEDRO COC(=O)C1(Nc2nc(C)c(C#N)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001160305823 1034934993 /nfs/dbraw/zinc/93/49/93/1034934993.db2.gz MXGNVBAVDFKWNR-UHFFFAOYSA-N 1 0 398.894 3.535 20 30 GHEDRO Cc1cc(F)ncc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001231985406 1035024061 /nfs/dbraw/zinc/02/40/61/1035024061.db2.gz ZRPPPSJZVYHEJI-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1 ZINC001208850124 1035056797 /nfs/dbraw/zinc/05/67/97/1035056797.db2.gz XVRVCIIVPUWIJU-HSZRJFAPSA-N 1 0 391.515 3.726 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1 ZINC001208849616 1035056831 /nfs/dbraw/zinc/05/68/31/1035056831.db2.gz KJSHVXQDZCDCMV-YTFSRNRJSA-N 1 0 377.488 3.587 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCCc3cccc(C#N)c3)C[C@@H]21 ZINC001208851776 1035058651 /nfs/dbraw/zinc/05/86/51/1035058651.db2.gz DWWQZMAVDYBSNN-VABKMULXSA-N 1 0 388.515 3.532 20 30 GHEDRO COC(=O)c1ccc(OC2CC[NH+](CCCc3cccc(C#N)c3)CC2)cc1 ZINC001208853467 1035059982 /nfs/dbraw/zinc/05/99/82/1035059982.db2.gz MVZYEOSJCGKLES-UHFFFAOYSA-N 1 0 378.472 3.821 20 30 GHEDRO Cc1cccc(N2CCC[C@]3(C2)C[N@H+](CCc2ccc(C#N)cc2)CCO3)c1 ZINC001208922967 1035089802 /nfs/dbraw/zinc/08/98/02/1035089802.db2.gz MINRXFGJIOVDBI-XMMPIXPASA-N 1 0 375.516 3.781 20 30 GHEDRO CN1CC[C@@]2(C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]2c2ccccc2)C1=O ZINC001232114686 1035103642 /nfs/dbraw/zinc/10/36/42/1035103642.db2.gz RDWDBUUNTLTVBM-KNQAVFIVSA-N 1 0 379.891 3.660 20 30 GHEDRO C=CCN(CC[N@@H+](CCC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001209024757 1035153389 /nfs/dbraw/zinc/15/33/89/1035153389.db2.gz XNCXZPYGWKQPPQ-SFHVURJKSA-N 1 0 397.560 3.600 20 30 GHEDRO COC(=O)c1cccc(C[NH+]2CCC(Nc3ncc(CC#N)cc3Cl)CC2)c1 ZINC001161173591 1035167084 /nfs/dbraw/zinc/16/70/84/1035167084.db2.gz NOCMUKVCCGZMGV-UHFFFAOYSA-N 1 0 398.894 3.664 20 30 GHEDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3nc(C#N)c(Cl)cc3Cl)C2)c1 ZINC001161193029 1035173961 /nfs/dbraw/zinc/17/39/61/1035173961.db2.gz AJDBDWMAQIPWOQ-ZDUSSCGKSA-N 1 0 377.275 3.955 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](CCc1ccc(C(F)(F)F)cc1)CC2 ZINC001209124818 1035184030 /nfs/dbraw/zinc/18/40/30/1035184030.db2.gz SEALUIROOMKFKV-UHFFFAOYSA-N 1 0 382.426 3.968 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(NCC3CC[NH+](C4CCOCC4)CC3)nc21 ZINC001161240785 1035188813 /nfs/dbraw/zinc/18/88/13/1035188813.db2.gz CFADJLZERBIDQD-UHFFFAOYSA-N 1 0 382.552 3.870 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccccc3C3CC[NH2+]CC3)C2)cc1 ZINC001161328487 1035209598 /nfs/dbraw/zinc/20/95/98/1035209598.db2.gz AOGVPYODLRCGEY-OAQYLSRUSA-N 1 0 389.499 3.709 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC001161399796 1035223272 /nfs/dbraw/zinc/22/32/72/1035223272.db2.gz VRFROIUEDDGPQM-UHFFFAOYSA-N 1 0 394.368 3.775 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414322 1035226337 /nfs/dbraw/zinc/22/63/37/1035226337.db2.gz UXWSQQSCBIXCDO-XUVXKRRUSA-N 1 0 379.589 3.561 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCOc4ccccc4)C3)C2)c1 ZINC001209302221 1035236022 /nfs/dbraw/zinc/23/60/22/1035236022.db2.gz IHOQKNHVDZDNEX-XMMPIXPASA-N 1 0 391.515 3.556 20 30 GHEDRO C[C@H](c1ccccc1)N(C(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)C1=CC(=O)CCC1 ZINC001161510257 1035244956 /nfs/dbraw/zinc/24/49/56/1035244956.db2.gz VYYAESPBODPYCL-FPGHNAPASA-N 1 0 396.531 3.762 20 30 GHEDRO C[C@H](c1ccccc1)N(C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)C1=CC(=O)CCC1 ZINC001161510258 1035245073 /nfs/dbraw/zinc/24/50/73/1035245073.db2.gz VYYAESPBODPYCL-LJFZDNNRSA-N 1 0 396.531 3.762 20 30 GHEDRO C=CCCCCCC[N@H+]1CCc2nc(C(=O)Nc3ccncc3)sc2CC1 ZINC001209437630 1035274531 /nfs/dbraw/zinc/27/45/31/1035274531.db2.gz PAYHSPHHMWFROA-UHFFFAOYSA-N 1 0 384.549 3.749 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CC[C@H](N2CCOCC2)C[C@]1(C)C(=O)OC ZINC001209443151 1035275046 /nfs/dbraw/zinc/27/50/46/1035275046.db2.gz NARIVVURODFXJD-RBBKRZOGSA-N 1 0 380.573 3.631 20 30 GHEDRO Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c2c1 ZINC001209494418 1035292145 /nfs/dbraw/zinc/29/21/45/1035292145.db2.gz XDSAJWUBBYNJEC-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(C)[nH]c4ncccc43)CC2)C1 ZINC001209586709 1035319086 /nfs/dbraw/zinc/31/90/86/1035319086.db2.gz ISQCUQLUGXOVIM-UHFFFAOYSA-N 1 0 382.508 3.872 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N3CCCC3)nc1)[C@H]2CC ZINC001209625665 1035335106 /nfs/dbraw/zinc/33/51/06/1035335106.db2.gz JYOSXQNIZYJYIQ-REWPJTCUSA-N 1 0 382.552 3.603 20 30 GHEDRO CCOc1cc(C(=O)OC)ccc1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001209684833 1035354914 /nfs/dbraw/zinc/35/49/14/1035354914.db2.gz IIWBIHHHKUDGMQ-OAQYLSRUSA-N 1 0 394.471 3.787 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4c[nH]c5cc(F)ccc45)C3)CC2=O)c1 ZINC001209692989 1035357850 /nfs/dbraw/zinc/35/78/50/1035357850.db2.gz NYXLINSPQADCTQ-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cccc(-c4ccncc4)c3)no2)cc1 ZINC001248158910 1035585885 /nfs/dbraw/zinc/58/58/85/1035585885.db2.gz HNYQQFNFLMAUAR-NRFANRHFSA-N 1 0 381.439 3.783 20 30 GHEDRO N#C/N=C1\SCCN1Cc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)nc1 ZINC001241502017 1035596399 /nfs/dbraw/zinc/59/63/99/1035596399.db2.gz LTOUSXSMDVYEFH-LVWGJNHUSA-N 1 0 389.528 3.757 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(C[C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC001248178434 1035605530 /nfs/dbraw/zinc/60/55/30/1035605530.db2.gz IDWXQCMRENZWNA-MRXNPFEDSA-N 1 0 395.260 3.628 20 30 GHEDRO Cc1cc(Br)ccc1-c1noc(C[C@@H]([NH3+])Cc2ccccc2C#N)n1 ZINC001248179365 1035606950 /nfs/dbraw/zinc/60/69/50/1035606950.db2.gz GQFGNPNCAJIRRI-INIZCTEOSA-N 1 0 397.276 3.792 20 30 GHEDRO CSc1nc(-c2cnn(C3CC[NH2+]CC3)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001241773424 1035692479 /nfs/dbraw/zinc/69/24/79/1035692479.db2.gz PGZKDQWNYMGFPG-UHFFFAOYSA-N 1 0 390.516 3.834 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(-c2cnn(C3CC[NH2+]CC3)c2)c1C#N ZINC001241773501 1035692542 /nfs/dbraw/zinc/69/25/42/1035692542.db2.gz IOTMXLKSCIVGPR-UHFFFAOYSA-N 1 0 376.489 3.525 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2ncccc2C#C[Si](C)(C)C)cc1 ZINC001241778250 1035695026 /nfs/dbraw/zinc/69/50/26/1035695026.db2.gz AMSRQPNVTQXAPS-UHFFFAOYSA-N 1 0 379.580 3.659 20 30 GHEDRO CCc1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc(OC)c1C(=O)OC ZINC001248618580 1035994626 /nfs/dbraw/zinc/99/46/26/1035994626.db2.gz ZASNFGRJJVGYTA-UHFFFAOYSA-N 1 0 385.489 3.709 20 30 GHEDRO C=CCC1(CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCCC1 ZINC001248674646 1036045217 /nfs/dbraw/zinc/04/52/17/1036045217.db2.gz HWIRQFHSLHZDJL-UHFFFAOYSA-N 1 0 377.573 3.657 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001248750890 1036108467 /nfs/dbraw/zinc/10/84/67/1036108467.db2.gz ALLONEPSVXZACR-VABKMULXSA-N 1 0 388.515 3.662 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@]2(CCN(CC)C2=O)C1 ZINC001248750557 1036108821 /nfs/dbraw/zinc/10/88/21/1036108821.db2.gz NQIKZPBKYBXGGL-NOZRDPDXSA-N 1 0 387.527 3.959 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3ccc([C@@H](C#N)c4ccccc4F)nn3)c2)CC1 ZINC001243666246 1036243522 /nfs/dbraw/zinc/24/35/22/1036243522.db2.gz JLRMLSVAPUJCDW-FQEVSTJZSA-N 1 0 387.462 3.690 20 30 GHEDRO COc1ncc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1C(F)(F)F ZINC001243744541 1036264352 /nfs/dbraw/zinc/26/43/52/1036264352.db2.gz HFTUKXUSUDUZCT-UHFFFAOYSA-N 1 0 377.366 3.778 20 30 GHEDRO N#Cc1ccc(Oc2nc(C3=CC[C@H]([NH+]4CCOCC4)CC3)ncc2F)cc1 ZINC001245424841 1036919028 /nfs/dbraw/zinc/91/90/28/1036919028.db2.gz USLMTJYNEFPJDC-KRWDZBQOSA-N 1 0 380.423 3.548 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1C(F)(F)F ZINC001245755807 1036990070 /nfs/dbraw/zinc/99/00/70/1036990070.db2.gz LJGOSPWMCZWULG-UHFFFAOYSA-N 1 0 394.466 3.692 20 30 GHEDRO CCCCCCCCCCC[N@@H+]1CCCC2(CN(S(=O)(=O)N(C)C)C2)C1 ZINC001278420574 1037052841 /nfs/dbraw/zinc/05/28/41/1037052841.db2.gz PQSHNXBFGYINPG-UHFFFAOYSA-N 1 0 387.634 3.721 20 30 GHEDRO N#Cc1cc(NC[C@@]2(O)CC[NH2+]C2)ccc1Sc1cccc(C(F)(F)F)c1 ZINC001245961368 1037083235 /nfs/dbraw/zinc/08/32/35/1037083235.db2.gz OURLBTUJJGORLZ-GOSISDBHSA-N 1 0 393.434 3.865 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@H](O)CN[C@@]1(C#N)CC[NH2+]C1 ZINC001245983018 1037107027 /nfs/dbraw/zinc/10/70/27/1037107027.db2.gz QROKZBJOBWQANM-FGZHOGPDSA-N 1 0 381.605 3.910 20 30 GHEDRO CCCCCCCC[C@@H](O)CN[C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246009582 1037129867 /nfs/dbraw/zinc/12/98/67/1037129867.db2.gz UYIHTYXONYGDSH-RTWAWAEBSA-N 1 0 378.557 3.538 20 30 GHEDRO ON=C(N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001246160253 1037218253 /nfs/dbraw/zinc/21/82/53/1037218253.db2.gz DNGLLBBZFPLXJE-SJORKVTESA-N 1 0 393.409 3.674 20 30 GHEDRO CCCCCCCCOC(=O)[C@@H](N)Cc1cn([C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001246282396 1037275336 /nfs/dbraw/zinc/27/53/36/1037275336.db2.gz BOTMOWMSFUPYPK-CTNGQTDRSA-N 1 0 385.552 3.949 20 30 GHEDRO Cc1cc(C)cc([C@@H]([NH3+])[C@H](N[C@@H]2CCN[C@H](C#N)C2)c2cc(C)cc(C)c2)c1 ZINC001246336840 1037300248 /nfs/dbraw/zinc/30/02/48/1037300248.db2.gz QMPYKPLEICHSMG-UEQSERJNSA-N 1 0 376.548 3.895 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCN[C@H](c4ccccc4)C3)C2)CC1 ZINC001246527792 1037461218 /nfs/dbraw/zinc/46/12/18/1037461218.db2.gz WQEZOBIXJTXNKX-VXKWHMMOSA-N 1 0 397.563 3.980 20 30 GHEDRO C=CCCC[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC001246653746 1037527857 /nfs/dbraw/zinc/52/78/57/1037527857.db2.gz NDUDQBZBFGXALS-QFIPXVFZSA-N 1 0 385.552 3.838 20 30 GHEDRO Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246785449 1037626320 /nfs/dbraw/zinc/62/63/20/1037626320.db2.gz BCOPWBPQIFFMAU-JTHBVZDNSA-N 1 0 378.495 3.621 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)CN1 ZINC001246888075 1037704200 /nfs/dbraw/zinc/70/42/00/1037704200.db2.gz RDNYACHDMKNMAM-NMNUPHIUSA-N 1 0 391.515 3.805 20 30 GHEDRO CCCCCCCCNC(=S)N1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001247159389 1037954751 /nfs/dbraw/zinc/95/47/51/1037954751.db2.gz ROMDRADDUKXWBP-GOSISDBHSA-N 1 0 397.629 3.571 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cnc(OCC)c(C)c3)CC2)C1 ZINC001232302818 1038049826 /nfs/dbraw/zinc/04/98/26/1038049826.db2.gz MHYUECKKUDYHFT-UHFFFAOYSA-N 1 0 387.524 3.789 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnc(Br)cc1C)CC2 ZINC001232315733 1038079651 /nfs/dbraw/zinc/07/96/51/1038079651.db2.gz FHPYDWOTDLPYDY-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO Cc1c(F)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1F ZINC001232423721 1038206499 /nfs/dbraw/zinc/20/64/99/1038206499.db2.gz UTUSUMZYLCOGDI-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO COCCO[C@H]1CCC2(CC[NH+](Cc3cc(C#N)ccn3)CC2)c2ccccc21 ZINC001232477206 1038261226 /nfs/dbraw/zinc/26/12/26/1038261226.db2.gz ANDHYESAWGQEAN-QHCPKHFHSA-N 1 0 391.515 3.985 20 30 GHEDRO Cc1cccc(F)c1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001232488615 1038265658 /nfs/dbraw/zinc/26/56/58/1038265658.db2.gz FZUOMRSMYHBNFY-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cc(OC)c1Br ZINC001232568794 1038337523 /nfs/dbraw/zinc/33/75/23/1038337523.db2.gz ZNPVJLNCBXLPFG-UHFFFAOYSA-N 1 0 375.266 3.970 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3COC4(C3)CC[NH2+]CC4)n2)cc1Cl ZINC001247843665 1038419060 /nfs/dbraw/zinc/41/90/60/1038419060.db2.gz HXSODUZWIYDAFB-NSHDSACASA-N 1 0 379.247 3.541 20 30 GHEDRO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccc1[O-])CC2 ZINC001232676878 1038475705 /nfs/dbraw/zinc/47/57/05/1038475705.db2.gz FCWDCYCVEIGBGQ-LJQANCHMSA-N 1 0 397.544 3.581 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)s1 ZINC001232842494 1038593783 /nfs/dbraw/zinc/59/37/83/1038593783.db2.gz HCNAQFJPSNGALR-UHFFFAOYSA-N 1 0 377.513 3.910 20 30 GHEDRO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4ccc(C#N)s4)C[C@H]2C3)c1 ZINC001232843441 1038594919 /nfs/dbraw/zinc/59/49/19/1038594919.db2.gz XTEAXRHTOPQVJC-BEFAXECRSA-N 1 0 390.512 3.801 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccc(C#N)s2)CC3)cs1 ZINC001232843406 1038594947 /nfs/dbraw/zinc/59/49/47/1038594947.db2.gz NPAALPPBUMNDMO-INIZCTEOSA-N 1 0 389.546 3.725 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889994 1038675399 /nfs/dbraw/zinc/67/53/99/1038675399.db2.gz WJUQFEDJGRSPAB-RXVVDRJESA-N 1 0 391.462 3.868 20 30 GHEDRO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cc(F)ccc1C#N)CC2 ZINC001232891115 1038680045 /nfs/dbraw/zinc/68/00/45/1038680045.db2.gz GKNLBOUKJZYHAM-FQEVSTJZSA-N 1 0 383.467 3.546 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1cc(C)c(Br)cn1)CC2 ZINC001232905982 1038702722 /nfs/dbraw/zinc/70/27/22/1038702722.db2.gz WYIYDKNQZXMDLH-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)n1 ZINC001232922214 1038712467 /nfs/dbraw/zinc/71/24/67/1038712467.db2.gz FCDXOMJBEKEJMS-BWKNWUBXSA-N 1 0 398.510 3.998 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001277736028 1038713886 /nfs/dbraw/zinc/71/38/86/1038713886.db2.gz ZOGSATBMKINWAD-SJLPKXTDSA-N 1 0 378.479 3.727 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc(OC)c3ccccc13)C2 ZINC001232948846 1038725430 /nfs/dbraw/zinc/72/54/30/1038725430.db2.gz LEONWCKPBKJNGV-GGAORHGYSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OC(F)F)nc3)CC2)C1 ZINC001232952157 1038730268 /nfs/dbraw/zinc/73/02/68/1038730268.db2.gz HGGRRACBFDDKPA-UHFFFAOYSA-N 1 0 395.450 3.684 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCOCC3)C2)c(C#N)c1 ZINC001232966986 1038740924 /nfs/dbraw/zinc/74/09/24/1038740924.db2.gz ZCKOFPKOBIJRBQ-DNQXCXABSA-N 1 0 398.547 3.681 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001252127723 1038879091 /nfs/dbraw/zinc/87/90/91/1038879091.db2.gz DPHIYSDJAZBIPH-FUDKSRODSA-N 1 0 387.568 3.521 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001252140155 1038889067 /nfs/dbraw/zinc/88/90/67/1038889067.db2.gz LTABXKHIWXNCEG-VJBWXMMDSA-N 1 0 376.585 3.571 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001252139987 1038890147 /nfs/dbraw/zinc/89/01/47/1038890147.db2.gz WJJYFGOIAVFBCT-GOSISDBHSA-N 1 0 388.508 3.741 20 30 GHEDRO C=CCOC[C@H](O)C[NH+]1CCC2(CCc3cc(-c4ccncc4)ccc32)CC1 ZINC001252465215 1038998773 /nfs/dbraw/zinc/99/87/73/1038998773.db2.gz DLPBWRQSRIWTDM-JOCHJYFZSA-N 1 0 378.516 3.592 20 30 GHEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC001252491625 1039004963 /nfs/dbraw/zinc/00/49/63/1039004963.db2.gz SPLKXFTXXNRFPN-LPHOPBHVSA-N 1 0 376.294 3.692 20 30 GHEDRO C=CCOC[C@@H](O)C[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001252499077 1039006241 /nfs/dbraw/zinc/00/62/41/1039006241.db2.gz VDHRCHWZESGJIQ-SFTDATJTSA-N 1 0 375.896 3.751 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC(c2cc3c(ncn3C)c(-c3ccccc3)n2)CC1 ZINC001252551648 1039029519 /nfs/dbraw/zinc/02/95/19/1039029519.db2.gz XTRSJONKPSMEBU-QHCPKHFHSA-N 1 0 376.504 3.752 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]C1(c2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583141 1039037708 /nfs/dbraw/zinc/03/77/08/1039037708.db2.gz DXZOEDDNZLPTLA-HXUWFJFHSA-N 1 0 378.488 3.579 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(F)c(F)cc3N)C2)CC1 ZINC001233378333 1039203257 /nfs/dbraw/zinc/20/32/57/1039203257.db2.gz OQLYIWCWQCZMNF-UHFFFAOYSA-N 1 0 379.451 3.548 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)NC(C)C)C[C@H]21 ZINC001252985064 1039311644 /nfs/dbraw/zinc/31/16/44/1039311644.db2.gz LUWGICZMKIXPPX-BQJUDKOJSA-N 1 0 382.589 3.635 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cn4c(cccc4Cl)n3)C2)C1 ZINC001233549504 1039431611 /nfs/dbraw/zinc/43/16/11/1039431611.db2.gz AYZUIKQAIOPMEO-HXUWFJFHSA-N 1 0 388.899 3.598 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@H]2C1 ZINC001253234394 1039487975 /nfs/dbraw/zinc/48/79/75/1039487975.db2.gz ANABJQMVAIZUBK-HJNYFJLDSA-N 1 0 388.527 3.603 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2OC)CC1 ZINC001253243782 1039500437 /nfs/dbraw/zinc/50/04/37/1039500437.db2.gz ZKHPHVYOGIELSZ-FQEVSTJZSA-N 1 0 388.552 3.777 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001253276420 1039522120 /nfs/dbraw/zinc/52/21/20/1039522120.db2.gz JVDVFSTWYANDME-FQEVSTJZSA-N 1 0 382.479 3.651 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233736852 1039579094 /nfs/dbraw/zinc/57/90/94/1039579094.db2.gz RTYMMWOZESZXSR-LJQANCHMSA-N 1 0 398.425 3.824 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)COC)CC1 ZINC001253563154 1039705475 /nfs/dbraw/zinc/70/54/75/1039705475.db2.gz BKKLFBSPKPOZLC-NRFANRHFSA-N 1 0 384.605 3.885 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001253613705 1039721583 /nfs/dbraw/zinc/72/15/83/1039721583.db2.gz AVOGHEDZWMPTTN-ZRBLBEILSA-N 1 0 399.616 3.880 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1cccnn1 ZINC001253615079 1039725471 /nfs/dbraw/zinc/72/54/71/1039725471.db2.gz ZWXBGMZTSONMBE-QFIPXVFZSA-N 1 0 395.588 3.881 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC1(O)CCC1 ZINC001253616913 1039729164 /nfs/dbraw/zinc/72/91/64/1039729164.db2.gz JWHBJNRQXOLARW-OAQYLSRUSA-N 1 0 387.605 3.806 20 30 GHEDRO CCCCCCC[N@H+](CC)C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253871982 1039872007 /nfs/dbraw/zinc/87/20/07/1039872007.db2.gz XMXKPDVBUPIAAV-UXHICEINSA-N 1 0 380.483 3.799 20 30 GHEDRO CCCCCCC[N@H+](CC)C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253871981 1039872627 /nfs/dbraw/zinc/87/26/27/1039872627.db2.gz XMXKPDVBUPIAAV-PMACEKPBSA-N 1 0 380.483 3.799 20 30 GHEDRO C#CC[N@@H+](C[C@@H](O)COc1ccccc1OC(C)C)[C@@H]1CCc2ccccc21 ZINC001254004943 1039946111 /nfs/dbraw/zinc/94/61/11/1039946111.db2.gz YOOWIQUDOVTIBK-IFMALSPDSA-N 1 0 379.500 3.836 20 30 GHEDRO COc1cc(/C=C\C(C)=O)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001234339457 1039975417 /nfs/dbraw/zinc/97/54/17/1039975417.db2.gz PBMCBZQJSPBTOJ-MZMPXXGTSA-N 1 0 395.499 3.967 20 30 GHEDRO C[C@@](C#N)(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC001254050777 1039975856 /nfs/dbraw/zinc/97/58/56/1039975856.db2.gz QJTDDJASXVATLN-NRFANRHFSA-N 1 0 383.923 3.695 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC001462423947 1070243759 /nfs/dbraw/zinc/24/37/59/1070243759.db2.gz CYBUEKSUSOFGLF-GOSISDBHSA-N 1 0 384.524 3.812 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(O)ccc3ccc(OC)cc31)C2 ZINC001234546062 1040116717 /nfs/dbraw/zinc/11/67/17/1040116717.db2.gz XZCDUMFQAKVDKS-XXBNENTESA-N 1 0 383.488 3.880 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CCN(c3ncccn3)CC2)CC1 ZINC001254345714 1040178511 /nfs/dbraw/zinc/17/85/11/1040178511.db2.gz GNVXOYVHPKRUIH-UHFFFAOYSA-N 1 0 379.483 3.578 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CCN(C(=O)C3CCC3)CC2)CC1 ZINC001254349293 1040183295 /nfs/dbraw/zinc/18/32/95/1040183295.db2.gz MYJDXMMUCKBYSV-UHFFFAOYSA-N 1 0 383.511 3.910 20 30 GHEDRO CC(C)(C)[C@@H](CN1CCOCC1)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254351530 1040184630 /nfs/dbraw/zinc/18/46/30/1040184630.db2.gz KFPUFHQOENIIKU-WQMHRJNTSA-N 1 0 387.543 3.866 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CCC[N@H+](C)CC2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234774213 1040302500 /nfs/dbraw/zinc/30/25/00/1040302500.db2.gz DJIMUAMXHPYHBI-VQFGERMISA-N 1 0 397.471 3.866 20 30 GHEDRO C=C[C@H](CC)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC001234817175 1040347616 /nfs/dbraw/zinc/34/76/16/1040347616.db2.gz JXQRFTABGIKHTD-VXEMUYFQSA-N 1 0 397.515 3.656 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCN(c3ccc(F)cc3)CC1)CCO2 ZINC001254627359 1040404132 /nfs/dbraw/zinc/40/41/32/1040404132.db2.gz BSMAICPQJMLIFV-WMZHIEFXSA-N 1 0 388.527 3.868 20 30 GHEDRO N#C[C@H]1CC[C@H]([N@H+]2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)C1 ZINC001254662803 1040424475 /nfs/dbraw/zinc/42/44/75/1040424475.db2.gz LFWPPJYTTNIIGD-PXNSSMCTSA-N 1 0 391.494 3.662 20 30 GHEDRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)Oc2ccccc21 ZINC001254662216 1040425106 /nfs/dbraw/zinc/42/51/06/1040425106.db2.gz DBLWEQRDXKBJMM-OTWHNJEPSA-N 1 0 381.520 3.558 20 30 GHEDRO COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC1)C2 ZINC001254669907 1040428803 /nfs/dbraw/zinc/42/88/03/1040428803.db2.gz WUCCRXQGJZTUEI-QXAKKESOSA-N 1 0 382.504 3.853 20 30 GHEDRO CCOC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c[nH]1 ZINC001234948119 1040450666 /nfs/dbraw/zinc/45/06/66/1040450666.db2.gz BDRBDADWEFRIQQ-UHFFFAOYSA-N 1 0 387.867 3.760 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+]CCCOc1ccccc1C#N)C2 ZINC001254765285 1040525910 /nfs/dbraw/zinc/52/59/10/1040525910.db2.gz RSHYHPPXEJPYML-GOSISDBHSA-N 1 0 385.508 3.706 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254859156 1040603570 /nfs/dbraw/zinc/60/35/70/1040603570.db2.gz CHTDEDFZEBQKTF-IBGZPJMESA-N 1 0 388.353 3.791 20 30 GHEDRO CSc1nc(CN2CC[C@H]3C[N@H+](CCCC(F)(F)F)C[C@H]32)ccc1C#N ZINC001278839813 1040768210 /nfs/dbraw/zinc/76/82/10/1040768210.db2.gz QAOCCGUOUXKRIQ-GOEBONIOSA-N 1 0 384.471 3.524 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC001278841125 1040784355 /nfs/dbraw/zinc/78/43/55/1040784355.db2.gz LNGMMNLOYYEFJX-UXHICEINSA-N 1 0 378.944 3.992 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1Cl ZINC001235371365 1040877932 /nfs/dbraw/zinc/87/79/32/1040877932.db2.gz QJXYCSGTWKNTHK-FOIQADDNSA-N 1 0 386.952 3.609 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Br)c1 ZINC001235379318 1040900190 /nfs/dbraw/zinc/90/01/90/1040900190.db2.gz DNNANJYEBQCHDW-CTNGQTDRSA-N 1 0 396.332 3.900 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCC[C@@H](C(=O)OCC)C1)[C@@H]2CC ZINC001255359626 1040961655 /nfs/dbraw/zinc/96/16/55/1040961655.db2.gz CWNDUMLCULZCFW-YXTQBTIXSA-N 1 0 376.541 3.530 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001235513257 1040969871 /nfs/dbraw/zinc/96/98/71/1040969871.db2.gz IBMYHZJGKNXSMU-BJKOFHAPSA-N 1 0 391.515 3.736 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)[C@H]1c1ccccc1 ZINC001235657089 1041105375 /nfs/dbraw/zinc/10/53/75/1041105375.db2.gz KVHBWIUZLJXPIN-HXUWFJFHSA-N 1 0 381.426 3.632 20 30 GHEDRO C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H]([NH2+][C@H](C)COC)c1ccnc2ccc(OC)cc21 ZINC001255558683 1041131332 /nfs/dbraw/zinc/13/13/32/1041131332.db2.gz SCEACUHSOYULPA-DOXHZCKDSA-N 1 0 395.547 3.805 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001255697951 1041222437 /nfs/dbraw/zinc/22/24/37/1041222437.db2.gz UXRWKZZGQXIGSI-FUHWJXTLSA-N 1 0 379.426 3.874 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)C1 ZINC001255917671 1041404555 /nfs/dbraw/zinc/40/45/55/1041404555.db2.gz MPDBLDARLHSNKE-RTBURBONSA-N 1 0 385.508 3.801 20 30 GHEDRO CCOC(=O)N1CC[C@H]([NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)C1 ZINC001256046091 1041493717 /nfs/dbraw/zinc/49/37/17/1041493717.db2.gz QVBSLKUVEZZIAF-QFIPXVFZSA-N 1 0 388.471 3.663 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)Cc1cccc(OC)c1)CC2 ZINC001256162271 1041599484 /nfs/dbraw/zinc/59/94/84/1041599484.db2.gz UDXUARFUHOWPGC-SFHVURJKSA-N 1 0 395.547 3.994 20 30 GHEDRO CC(C)Oc1c(F)c(F)c(-c2ncc3c(c2C#N)CCC[NH2+]C3)c(F)c1F ZINC001236222371 1041630181 /nfs/dbraw/zinc/63/01/81/1041630181.db2.gz OWOIWJGADZIWQJ-UHFFFAOYSA-N 1 0 379.357 4.000 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001256295434 1041689066 /nfs/dbraw/zinc/68/90/66/1041689066.db2.gz NTCBZQQDMFFKPN-LJQANCHMSA-N 1 0 385.508 3.801 20 30 GHEDRO CN(CCC#N)c1ccc(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236394368 1041697912 /nfs/dbraw/zinc/69/79/12/1041697912.db2.gz YKIHHKHRSKHVFM-HSZRJFAPSA-N 1 0 380.511 3.930 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001256315306 1041700001 /nfs/dbraw/zinc/70/00/01/1041700001.db2.gz FFENWBRLSYAYEH-QGZVFWFLSA-N 1 0 377.916 3.685 20 30 GHEDRO N#Cc1c(F)cc(CN(Cc2c(F)cccc2F)C2CC[NH2+]CC2)cc1F ZINC001236512443 1041747157 /nfs/dbraw/zinc/74/71/57/1041747157.db2.gz BZMBVAUFPADXIY-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO COc1cc(CN2CC[NH2+]C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1C#N ZINC001236817914 1041915048 /nfs/dbraw/zinc/91/50/48/1041915048.db2.gz FCTVMNNWAMZWGM-GOSISDBHSA-N 1 0 375.394 3.732 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccnc2)C2CCOCC2)cc1Br ZINC001236864175 1041933894 /nfs/dbraw/zinc/93/38/94/1041933894.db2.gz QTOAQPNLVHFMRH-UHFFFAOYSA-N 1 0 386.293 3.897 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3cncc(-c4ccc(F)cc4)c3)CC2)nc1 ZINC001237003238 1041986552 /nfs/dbraw/zinc/98/65/52/1041986552.db2.gz ZJLQZSMHDSEJAG-UHFFFAOYSA-N 1 0 387.462 3.867 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccnc3c(OC)cccc13)C2 ZINC001237107360 1042041664 /nfs/dbraw/zinc/04/16/64/1042041664.db2.gz BMUDUSUJZNFPFS-GMAHTHKFSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccnc3c(Cl)cccc23)CC1 ZINC001237155550 1042067956 /nfs/dbraw/zinc/06/79/56/1042067956.db2.gz VBJPWAQZBPMGOR-UHFFFAOYSA-N 1 0 384.955 3.680 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccccc1NC(=O)C(C)(C)C)C2 ZINC001237396865 1042189601 /nfs/dbraw/zinc/18/96/01/1042189601.db2.gz PHIMRWOLHWVPMD-CVDCTZTESA-N 1 0 386.536 3.997 20 30 GHEDRO Cn1cc(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c2cc(C#N)ccc21 ZINC001237467775 1042220604 /nfs/dbraw/zinc/22/06/04/1042220604.db2.gz FHTUCRBRXKLZPG-UHFFFAOYSA-N 1 0 398.470 3.875 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cn(C)c3ccc(C#N)cc13)CCO2 ZINC001237469289 1042221267 /nfs/dbraw/zinc/22/12/67/1042221267.db2.gz RYQNDYMZEJKSKH-NZQKXSOJSA-N 1 0 379.504 3.624 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)nc(C(F)(F)F)c3)C2)C1=O ZINC001237496819 1042235966 /nfs/dbraw/zinc/23/59/66/1042235966.db2.gz XDTGUVKPOGZPRS-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccnc(OC(F)F)c3)CC2)C1 ZINC001237611984 1042281045 /nfs/dbraw/zinc/28/10/45/1042281045.db2.gz RRKBZAJBSQFDCX-UHFFFAOYSA-N 1 0 395.450 3.684 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)c(C)cc1O)C2 ZINC001237678776 1042321160 /nfs/dbraw/zinc/32/11/60/1042321160.db2.gz MCGQJZKOZHQSNN-QFBILLFUSA-N 1 0 396.325 3.789 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1 ZINC001237750359 1042352588 /nfs/dbraw/zinc/35/25/88/1042352588.db2.gz IRINHMRBUBZISJ-NRFANRHFSA-N 1 0 397.906 3.947 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(F)cc(OCC)c3)C2)C1 ZINC001237913005 1042419834 /nfs/dbraw/zinc/41/98/34/1042419834.db2.gz KBLAEPFLAZSWSO-NRFANRHFSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(N4CCCCC4)n3)C2)C1 ZINC001238001387 1042453097 /nfs/dbraw/zinc/45/30/97/1042453097.db2.gz UVBDJPODIXHPNE-QHCPKHFHSA-N 1 0 398.551 3.682 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccc(N3CCCCC3)n1)C2 ZINC001238001645 1042453389 /nfs/dbraw/zinc/45/33/89/1042453389.db2.gz OQVVDDVDEQPPEY-JTHBVZDNSA-N 1 0 385.552 3.646 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4ccc(Cl)c(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001238194617 1042516275 /nfs/dbraw/zinc/51/62/75/1042516275.db2.gz QIARRXASBMBYHU-CTNGQTDRSA-N 1 0 381.907 3.858 20 30 GHEDRO COc1cc(CN2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)ccc1C#N ZINC001238404970 1042585741 /nfs/dbraw/zinc/58/57/41/1042585741.db2.gz ALCLIDUQMKNGED-UHFFFAOYSA-N 1 0 394.519 3.802 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCCN3Cc3csc(C)n3)CC2)ccc1C#N ZINC001238406486 1042586377 /nfs/dbraw/zinc/58/63/77/1042586377.db2.gz PEUBFZBFCYKAMZ-UHFFFAOYSA-N 1 0 396.560 3.962 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238411050 1042587403 /nfs/dbraw/zinc/58/74/03/1042587403.db2.gz XVIQFUYIXWALCQ-JOCHJYFZSA-N 1 0 385.508 3.932 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(C#N)c(OC)c3)C2)CC1 ZINC001238414617 1042588332 /nfs/dbraw/zinc/58/83/32/1042588332.db2.gz WDHINTIAFXRYQZ-UHFFFAOYSA-N 1 0 383.492 3.567 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CC[C@H]3NC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001238417195 1042589170 /nfs/dbraw/zinc/58/91/70/1042589170.db2.gz OZYMUSMQCLZIRY-LJQANCHMSA-N 1 0 385.508 3.836 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(F)c(F)c1OC)CC2 ZINC001238476620 1042610928 /nfs/dbraw/zinc/61/09/28/1042610928.db2.gz WOHINBVHFSFQFB-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(F)c(OC(C)C)c1)[C@@H]2CC ZINC001238595553 1042651811 /nfs/dbraw/zinc/65/18/11/1042651811.db2.gz WKSJWORYPJGKDA-KNQAVFIVSA-N 1 0 389.515 3.930 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)ccc1C#N ZINC001238760721 1042717823 /nfs/dbraw/zinc/71/78/23/1042717823.db2.gz OTUZJRHMAFFASY-XMMPIXPASA-N 1 0 389.499 3.758 20 30 GHEDRO CCc1cc(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)ccc1C#N ZINC001238775979 1042723362 /nfs/dbraw/zinc/72/33/62/1042723362.db2.gz QDFOUIXPIRFIEB-RZUBCFFCSA-N 1 0 397.544 3.773 20 30 GHEDRO CCc1cc(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)ccc1C#N ZINC001238775975 1042723564 /nfs/dbraw/zinc/72/35/64/1042723564.db2.gz QDFOUIXPIRFIEB-KCZVDYSFSA-N 1 0 397.544 3.773 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCC1(c2ccccc2F)CC[NH2+]CC1 ZINC001238862160 1042742782 /nfs/dbraw/zinc/74/27/82/1042742782.db2.gz SYFIBIDOBWLJFL-UHFFFAOYSA-N 1 0 384.561 3.727 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N(CCCOC)C1CC[NH2+]CC1 ZINC001239100852 1042765774 /nfs/dbraw/zinc/76/57/74/1042765774.db2.gz PAMKYLCPDKCJHA-UHFFFAOYSA-N 1 0 376.607 3.547 20 30 GHEDRO CCCCc1ccc(NC(=O)Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239190299 1042782742 /nfs/dbraw/zinc/78/27/42/1042782742.db2.gz JAMIHBXLMWKQIL-UHFFFAOYSA-N 1 0 377.492 3.954 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N[C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001239242342 1042795174 /nfs/dbraw/zinc/79/51/74/1042795174.db2.gz QQVCTZDGZKMUPC-ICSRJNTNSA-N 1 0 391.556 3.886 20 30 GHEDRO CCCCCCCCOC(=O)Nc1cc2c(cc1OC)[C@@]1(CC[NH2+]C1)C(=O)N2 ZINC001239315923 1042808035 /nfs/dbraw/zinc/80/80/35/1042808035.db2.gz HWSLCCHIKZYNSM-NRFANRHFSA-N 1 0 389.496 3.787 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2CCC3(CC[NH2+]C3)CC2)cc1C(F)(F)F ZINC001239371836 1042815028 /nfs/dbraw/zinc/81/50/28/1042815028.db2.gz XZOKTNAWKKFUEJ-UHFFFAOYSA-N 1 0 382.455 3.786 20 30 GHEDRO N#Cc1ccc(NC(=S)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1C(F)(F)F ZINC001239375667 1042816022 /nfs/dbraw/zinc/81/60/22/1042816022.db2.gz LATJCNQTJBETNS-INIZCTEOSA-N 1 0 390.434 3.578 20 30 GHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240050123 1042876338 /nfs/dbraw/zinc/87/63/38/1042876338.db2.gz NHMZDXLFQCMJAO-SFHVURJKSA-N 1 0 386.455 3.673 20 30 GHEDRO CC(C)(C)[NH2+]Cc1ccc(-c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)cc1 ZINC001240368357 1042923574 /nfs/dbraw/zinc/92/35/74/1042923574.db2.gz TXOSAMXQCFGOCX-KRWDZBQOSA-N 1 0 380.492 3.981 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-c3ccc(C[NH+]4CCN(C)CC4)cc3)nn2)cc1 ZINC001240388020 1042925028 /nfs/dbraw/zinc/92/50/28/1042925028.db2.gz VHOGGMFBQLPZDR-HSZRJFAPSA-N 1 0 397.526 3.855 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4cc(C#N)cc(C(F)(F)F)n4)cc3)CC2)CC1 ZINC001240572098 1042941800 /nfs/dbraw/zinc/94/18/00/1042941800.db2.gz DNOSIDZKHFNPHD-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3ncc(F)c(Oc4cccc(C#N)c4)n3)cc2)CC1 ZINC001240851704 1042958816 /nfs/dbraw/zinc/95/88/16/1042958816.db2.gz TZUHMEPXQJNTII-UHFFFAOYSA-N 1 0 389.434 3.698 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1 ZINC001291098847 1043078056 /nfs/dbraw/zinc/07/80/56/1043078056.db2.gz WTAYJQWGMYSBFC-SFHVURJKSA-N 1 0 378.524 3.681 20 30 GHEDRO C[C@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291110197 1043083783 /nfs/dbraw/zinc/08/37/83/1043083783.db2.gz ZIWTUGCXCHJWGI-HMFYCAOWSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@H]1CCC[N@H+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCCC2(C)C)C1 ZINC001291127361 1043096054 /nfs/dbraw/zinc/09/60/54/1043096054.db2.gz DUWRWIUYTJMENG-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001256520852 1043445388 /nfs/dbraw/zinc/44/53/88/1043445388.db2.gz QGQBHAOSIMABJH-MSOLQXFVSA-N 1 0 380.529 3.748 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1 ZINC001291763997 1043448852 /nfs/dbraw/zinc/44/88/52/1043448852.db2.gz AACSVRKFNPHURK-ROUUACIJSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001291768768 1043452870 /nfs/dbraw/zinc/45/28/70/1043452870.db2.gz ZQFGKNQYHNGUJQ-LAUBAEHRSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H]1C[C@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC001256553157 1043521713 /nfs/dbraw/zinc/52/17/13/1043521713.db2.gz GCXJHBQXFWDHAG-NFBKMPQASA-N 1 0 389.547 3.518 20 30 GHEDRO CN(C(=O)NCC#CC[NH+](C)C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001256585586 1043554965 /nfs/dbraw/zinc/55/49/65/1043554965.db2.gz SYXRDCDOWLNAFE-HXUWFJFHSA-N 1 0 387.886 3.775 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)cc1 ZINC001292107114 1043594017 /nfs/dbraw/zinc/59/40/17/1043594017.db2.gz DPDHOEIEVGHAGA-DSKINZAPSA-N 1 0 381.520 3.560 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H]1C)[NH+]1CCCC1 ZINC001292186004 1043618639 /nfs/dbraw/zinc/61/86/39/1043618639.db2.gz SNSDCGDQFFLNFH-LVCYWYKZSA-N 1 0 392.551 3.926 20 30 GHEDRO CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[NH+](C)C)C1 ZINC001292380969 1043711092 /nfs/dbraw/zinc/71/10/92/1043711092.db2.gz OVVLZJAERHPMCF-KRWDZBQOSA-N 1 0 380.540 3.783 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](C3CCC(C#N)CC3)CC2)Oc2ccccc21 ZINC001256968905 1043776667 /nfs/dbraw/zinc/77/66/67/1043776667.db2.gz RWFRDCIANDILBV-JLAWEPINSA-N 1 0 381.520 3.606 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](C4CCC(C#N)CC4)C3)C2)c1 ZINC001256968709 1043776788 /nfs/dbraw/zinc/77/67/88/1043776788.db2.gz KWXITUZXVICLDX-POOLCLQXSA-N 1 0 378.520 3.559 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](C2CCC(C#N)CC2)CC3)cs1 ZINC001256968818 1043776973 /nfs/dbraw/zinc/77/69/73/1043776973.db2.gz OLVSNORIWPBHQX-NKELODKYSA-N 1 0 375.538 3.674 20 30 GHEDRO CCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001293023262 1043989685 /nfs/dbraw/zinc/98/96/85/1043989685.db2.gz UJTHWIYFCZNQRZ-SIKLNZKXSA-N 1 0 380.540 3.582 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3ccc(Br)cc3)C2)C1=O ZINC001257564611 1044048975 /nfs/dbraw/zinc/04/89/75/1044048975.db2.gz PZDNUBQHHKUQNU-OXJNMPFZSA-N 1 0 391.353 3.881 20 30 GHEDRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001293259903 1044079260 /nfs/dbraw/zinc/07/92/60/1044079260.db2.gz YCNZYJWAVWTHJW-WIYYLYMNSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001293383586 1044145311 /nfs/dbraw/zinc/14/53/11/1044145311.db2.gz PIIFDTYUEHDXPX-UHFFFAOYSA-N 1 0 384.524 3.512 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC2(CCC(NC3(C#N)CCOCC3)CC2)C1 ZINC001257768098 1044157406 /nfs/dbraw/zinc/15/74/06/1044157406.db2.gz HJANGKJBMCMXBH-UHFFFAOYSA-N 1 0 377.529 3.609 20 30 GHEDRO C=C1C[C@@H]2CC(N3CC[N@@H+]4C[C@@H](OCc5cccc(C)n5)C[C@@H]4C3)C[C@H](C1)C2 ZINC001257890954 1044246612 /nfs/dbraw/zinc/24/66/12/1044246612.db2.gz CMPMTOCBWBDJLV-BGZCVABKSA-N 1 0 381.564 3.800 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC(NC(=O)OC(C)(C)C)(C(=O)OC)CC3)C[C@H](C1)C2 ZINC001257895528 1044249993 /nfs/dbraw/zinc/24/99/93/1044249993.db2.gz SKHIFHFLCJZWFM-JWTNVVGKSA-N 1 0 392.540 3.654 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](N4CC(NC(=O)OC(C)(C)C)C4)C3)C[C@H](C1)C2 ZINC001257895710 1044250238 /nfs/dbraw/zinc/25/02/38/1044250238.db2.gz YYXDLFQYEFKNCY-PFTCBEMASA-N 1 0 389.584 3.795 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)c1 ZINC001279069144 1044345947 /nfs/dbraw/zinc/34/59/47/1044345947.db2.gz ZGGSXGNGWLBSCE-UHFFFAOYSA-N 1 0 385.817 3.702 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CCC(CC(=O)OCC)CC3)C2)C1 ZINC001258030186 1044355011 /nfs/dbraw/zinc/35/50/11/1044355011.db2.gz VVTVKPBIBTZNBY-OBFZPWGMSA-N 1 0 392.540 3.609 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001258044638 1044367140 /nfs/dbraw/zinc/36/71/40/1044367140.db2.gz SAURQZPTUJVDSM-JBPLPALLSA-N 1 0 380.573 3.606 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C ZINC001258043441 1044367471 /nfs/dbraw/zinc/36/74/71/1044367471.db2.gz PGOHOHHMJJZWNE-GIVPXCGWSA-N 1 0 389.584 3.562 20 30 GHEDRO C=CCc1c(F)c(F)c(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)c(F)c1F ZINC001258136663 1044420662 /nfs/dbraw/zinc/42/06/62/1044420662.db2.gz CRFKPBVTAZREQJ-QWRGUYRKSA-N 1 0 399.388 3.673 20 30 GHEDRO CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001294555108 1044701757 /nfs/dbraw/zinc/70/17/57/1044701757.db2.gz LHPVROAYBOHBKH-HXUWFJFHSA-N 1 0 380.540 3.783 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001258714185 1044732032 /nfs/dbraw/zinc/73/20/32/1044732032.db2.gz KIXHJBIQMNPNCG-VXKWHMMOSA-N 1 0 382.589 3.711 20 30 GHEDRO C=CCC[C@H](C)[NH2+][C@@H](CC(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258719460 1044734649 /nfs/dbraw/zinc/73/46/49/1044734649.db2.gz DMZCQUOPSLHCGL-WMZOPIPTSA-N 1 0 382.545 3.900 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)C[C@H](C)C#N ZINC001294756518 1044786026 /nfs/dbraw/zinc/78/60/26/1044786026.db2.gz BMTYEQANLHOVKL-NQIIRXRSSA-N 1 0 394.567 3.648 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)C[C@@H](C)C#N ZINC001294756519 1044786785 /nfs/dbraw/zinc/78/67/85/1044786785.db2.gz BMTYEQANLHOVKL-RXVVDRJESA-N 1 0 394.567 3.648 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)C1 ZINC001296035038 1045228440 /nfs/dbraw/zinc/22/84/40/1045228440.db2.gz AEPLHPIIHYSCIR-GGPKGHCWSA-N 1 0 392.551 3.641 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001296040128 1045230678 /nfs/dbraw/zinc/23/06/78/1045230678.db2.gz VCWZQIZJLRKCCX-HTAPYJJXSA-N 1 0 396.514 3.556 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001296040139 1045230859 /nfs/dbraw/zinc/23/08/59/1045230859.db2.gz VCWZQIZJLRKCCX-JTSKRJEESA-N 1 0 396.514 3.556 20 30 GHEDRO N#Cc1c(F)cc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC001296842678 1045386522 /nfs/dbraw/zinc/38/65/22/1045386522.db2.gz SCLKPLJKAVNSQF-LJQANCHMSA-N 1 0 395.453 3.755 20 30 GHEDRO C=CCC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001297802244 1045625251 /nfs/dbraw/zinc/62/52/51/1045625251.db2.gz NDQIHVIUAZPLPG-KMDXXIMOSA-N 1 0 392.543 3.654 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCCC1)C1CCC1 ZINC001298126607 1045708223 /nfs/dbraw/zinc/70/82/23/1045708223.db2.gz KFMARJWNUPXLNI-UHFFFAOYSA-N 1 0 378.524 3.681 20 30 GHEDRO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001298586182 1045881915 /nfs/dbraw/zinc/88/19/15/1045881915.db2.gz SKGUGLMATRYAAJ-RTWAWAEBSA-N 1 0 380.532 3.815 20 30 GHEDRO C#CCN(C(=O)c1cc(Cl)c(C)cc1Br)C1CC[NH+](C)CC1 ZINC001462996580 1070717813 /nfs/dbraw/zinc/71/78/13/1070717813.db2.gz HCNMWHHDINRVOP-UHFFFAOYSA-N 1 0 383.717 3.581 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC001261658854 1046055237 /nfs/dbraw/zinc/05/52/37/1046055237.db2.gz SBRXOOVNMQEGSL-UXHICEINSA-N 1 0 380.467 3.677 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300801352 1046168721 /nfs/dbraw/zinc/16/87/21/1046168721.db2.gz OICZYWXCRWQQCU-WMZHIEFXSA-N 1 0 394.567 3.617 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1C[C@@H](C(C)C)[NH+](CC=C)CC=C ZINC001300801313 1046168974 /nfs/dbraw/zinc/16/89/74/1046168974.db2.gz MXERNZBGOVDURW-NZQKXSOJSA-N 1 0 381.568 3.846 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300909169 1046236004 /nfs/dbraw/zinc/23/60/04/1046236004.db2.gz MPDKBJSTKLHKIY-HXUWFJFHSA-N 1 0 399.587 3.592 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)[NH+](C)C ZINC001300920962 1046243665 /nfs/dbraw/zinc/24/36/65/1046243665.db2.gz JRXXBIMZUAPAAU-IBGZPJMESA-N 1 0 385.556 3.826 20 30 GHEDRO C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001301088595 1046332381 /nfs/dbraw/zinc/33/23/81/1046332381.db2.gz BEBBFIRLOBAMPB-MRXNPFEDSA-N 1 0 388.585 3.521 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001301096171 1046338293 /nfs/dbraw/zinc/33/82/93/1046338293.db2.gz ZQGOVKFOOHBHQB-FQEVSTJZSA-N 1 0 395.551 3.664 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001301120104 1046357131 /nfs/dbraw/zinc/35/71/31/1046357131.db2.gz HOZPOFWEQPBJME-IBGZPJMESA-N 1 0 380.540 3.535 20 30 GHEDRO C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001262939489 1046437318 /nfs/dbraw/zinc/43/73/18/1046437318.db2.gz HRKLPFWXCPYUAE-IRXDYDNUSA-N 1 0 379.499 3.679 20 30 GHEDRO C=CCn1c(Cc2cccc(O)c2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001262957245 1046449814 /nfs/dbraw/zinc/44/98/14/1046449814.db2.gz NOCNSPOHEFVRMZ-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001301286696 1046455299 /nfs/dbraw/zinc/45/52/99/1046455299.db2.gz IKIJMRMIIPKCJR-UHFFFAOYSA-N 1 0 390.535 3.808 20 30 GHEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC001263087501 1046555214 /nfs/dbraw/zinc/55/52/14/1046555214.db2.gz ITJJQAZHXLLRGU-IBGZPJMESA-N 1 0 388.489 3.505 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC001301880629 1046742965 /nfs/dbraw/zinc/74/29/65/1046742965.db2.gz KLTZYWOTNJWGBZ-GHTZIAJQSA-N 1 0 386.499 3.805 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC001301880036 1046743050 /nfs/dbraw/zinc/74/30/50/1046743050.db2.gz IOLORGLFSPTVMT-LAUBAEHRSA-N 1 0 379.529 3.677 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC001301882285 1046744130 /nfs/dbraw/zinc/74/41/30/1046744130.db2.gz RHRYPJCPZFSWOZ-HTAPYJJXSA-N 1 0 391.490 3.756 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC1([NH+](C)C)CCCC1 ZINC001301959587 1046762436 /nfs/dbraw/zinc/76/24/36/1046762436.db2.gz PXRRPICIADELGE-INIZCTEOSA-N 1 0 384.503 3.554 20 30 GHEDRO COc1cc(C(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC001302115703 1046823261 /nfs/dbraw/zinc/82/32/61/1046823261.db2.gz MCYVXARCCPTJIN-KRWDZBQOSA-N 1 0 391.393 3.618 20 30 GHEDRO CC(C)(Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCC1 ZINC001302345441 1046916112 /nfs/dbraw/zinc/91/61/12/1046916112.db2.gz VHBWEIUFENBIIL-UHFFFAOYSA-N 1 0 395.555 3.525 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC1CC1 ZINC001263675766 1047039574 /nfs/dbraw/zinc/03/95/74/1047039574.db2.gz ZLCOITINTYZMNI-HXUWFJFHSA-N 1 0 398.599 3.873 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cnc(-c3ccccc3Cl)nc2C2CC2)CC1 ZINC001263935720 1047190868 /nfs/dbraw/zinc/19/08/68/1047190868.db2.gz LJGWUIHFFZLDLB-UHFFFAOYSA-N 1 0 394.906 3.502 20 30 GHEDRO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001303045793 1047259236 /nfs/dbraw/zinc/25/92/36/1047259236.db2.gz HEQONACFGPYAAG-KMDXXIMOSA-N 1 0 392.543 3.654 20 30 GHEDRO CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303045012 1047259321 /nfs/dbraw/zinc/25/93/21/1047259321.db2.gz KXPJMYGWDGGQCG-FQEVSTJZSA-N 1 0 380.540 3.639 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001303171436 1047302243 /nfs/dbraw/zinc/30/22/43/1047302243.db2.gz UEELKJPOSLZWCR-QKWZMAAQSA-N 1 0 394.490 3.921 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1C(F)(F)F ZINC001303508273 1047407763 /nfs/dbraw/zinc/40/77/63/1047407763.db2.gz IPAZDEQHPWGQHO-UHFFFAOYSA-N 1 0 376.382 3.689 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001303694858 1047483647 /nfs/dbraw/zinc/48/36/47/1047483647.db2.gz GOMJCUVZNWXHEZ-INIZCTEOSA-N 1 0 394.548 3.507 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC001303792973 1047513685 /nfs/dbraw/zinc/51/36/85/1047513685.db2.gz SEYDVOMVWGWOQV-UHFFFAOYSA-N 1 0 394.327 3.944 20 30 GHEDRO CC(C)(C)OC(=O)c1ccccc1C1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000599381785 1047531715 /nfs/dbraw/zinc/53/17/15/1047531715.db2.gz BTISGTBPQVXNNX-GOSISDBHSA-N 1 0 384.520 3.876 20 30 GHEDRO C=CCCCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H]21 ZINC001279271964 1047752762 /nfs/dbraw/zinc/75/27/62/1047752762.db2.gz VNHANWCOHFDOMO-PKOBYXMFSA-N 1 0 378.948 3.596 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC001305051988 1047859577 /nfs/dbraw/zinc/85/95/77/1047859577.db2.gz RWBUWRCIAIPGNX-QYZOEREBSA-N 1 0 392.551 3.783 20 30 GHEDRO C=CCCNC(=S)N1CCC2(CCC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001279936192 1047994636 /nfs/dbraw/zinc/99/46/36/1047994636.db2.gz GIZARQMZOVRFGO-UHFFFAOYSA-N 1 0 378.611 3.580 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001305376743 1048000573 /nfs/dbraw/zinc/00/05/73/1048000573.db2.gz ODHHWICZCSTYKJ-FGTMMUONSA-N 1 0 384.528 3.818 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305419477 1048039945 /nfs/dbraw/zinc/03/99/45/1048039945.db2.gz OJGQOTIARRFNIM-YLJYHZDGSA-N 1 0 380.540 3.834 20 30 GHEDRO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3CCCc2ccc(Cl)c(Cl)c2)CCC1 ZINC001280054430 1048066581 /nfs/dbraw/zinc/06/65/81/1048066581.db2.gz KOANURLEJQOOKI-QRWLVFNGSA-N 1 0 392.330 3.953 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286283666 1048253315 /nfs/dbraw/zinc/25/33/15/1048253315.db2.gz WQHCRUIAJHTGQM-GOSISDBHSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286284792 1048254733 /nfs/dbraw/zinc/25/47/33/1048254733.db2.gz FXJHZRPSXYJEIR-GHTZIAJQSA-N 1 0 390.535 3.814 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001286303776 1048265615 /nfs/dbraw/zinc/26/56/15/1048265615.db2.gz KEVZURZZSDZXLY-LEWJYISDSA-N 1 0 393.579 3.642 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC[NH+](C(C)C)C(C)C ZINC001286368102 1048292658 /nfs/dbraw/zinc/29/26/58/1048292658.db2.gz VIZFVOZTIKJJIJ-UHFFFAOYSA-N 1 0 390.535 3.682 20 30 GHEDRO C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001286408530 1048308135 /nfs/dbraw/zinc/30/81/35/1048308135.db2.gz CVDFVMNZKJRAJP-IBGZPJMESA-N 1 0 395.551 3.616 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286516781 1048344319 /nfs/dbraw/zinc/34/43/19/1048344319.db2.gz KGGKKENENNQVKJ-VGOFRKELSA-N 1 0 393.491 3.735 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001286570713 1048370094 /nfs/dbraw/zinc/37/00/94/1048370094.db2.gz GLRGVBDFYAIJKB-OAQYLSRUSA-N 1 0 397.567 3.704 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286596104 1048381980 /nfs/dbraw/zinc/38/19/80/1048381980.db2.gz VDJUECLMYAWILE-HXUWFJFHSA-N 1 0 393.579 3.950 20 30 GHEDRO C=C(Cn1c(CC(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC001286617449 1048388961 /nfs/dbraw/zinc/38/89/61/1048388961.db2.gz LRTFTEVHDVYQLO-FPOVZHCZSA-N 1 0 379.552 3.863 20 30 GHEDRO C=C(Cn1c(N2CC[NH+](CC3CC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001286619161 1048391705 /nfs/dbraw/zinc/39/17/05/1048391705.db2.gz NQOAXJJMBGPPJP-UHFFFAOYSA-N 1 0 379.552 3.821 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001286643277 1048408061 /nfs/dbraw/zinc/40/80/61/1048408061.db2.gz FHSAYLDJKOGOIJ-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001286688539 1048450688 /nfs/dbraw/zinc/45/06/88/1048450688.db2.gz CEYZLUQLTRVNTJ-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CCCOCCn1c(CC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286712621 1048468872 /nfs/dbraw/zinc/46/88/72/1048468872.db2.gz FBGGNTSZTZVUEX-VQTJNVASSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001286730057 1048487413 /nfs/dbraw/zinc/48/74/13/1048487413.db2.gz ABTAVALXLKWMHW-GOSISDBHSA-N 1 0 383.540 3.579 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CCc2ccccc2CC1)C(C)C ZINC001286750797 1048504091 /nfs/dbraw/zinc/50/40/91/1048504091.db2.gz HGASPABAQGJEBO-HSZRJFAPSA-N 1 0 393.579 3.890 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H](C)CC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286752448 1048505203 /nfs/dbraw/zinc/50/52/03/1048505203.db2.gz XJEDPQYDXWXQET-GBESFXJTSA-N 1 0 389.588 3.858 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001286807073 1048533649 /nfs/dbraw/zinc/53/36/49/1048533649.db2.gz JCGHRCHJIFOCOF-HXUWFJFHSA-N 1 0 389.588 3.522 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001286966366 1048558637 /nfs/dbraw/zinc/55/86/37/1048558637.db2.gz ZUQNAUNATVSSIM-XLIONFOSSA-N 1 0 378.524 3.558 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1(C)C ZINC001306682890 1048809901 /nfs/dbraw/zinc/80/99/01/1048809901.db2.gz PUTOZBHLYCQSNB-UHFFFAOYSA-N 1 0 380.540 3.927 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3cc(F)c(C#N)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC001306910583 1048957011 /nfs/dbraw/zinc/95/70/11/1048957011.db2.gz WDZWMWCTADWRPO-UHFFFAOYSA-N 1 0 383.427 3.800 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(C3CCCC3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001307041600 1049034817 /nfs/dbraw/zinc/03/48/17/1049034817.db2.gz GPYAKPMQFQPWHX-GOSISDBHSA-N 1 0 384.572 3.798 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC001288425353 1049088203 /nfs/dbraw/zinc/08/82/03/1049088203.db2.gz WQXKAKFKVLKOSF-QFIPXVFZSA-N 1 0 391.515 3.645 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[NH+]1CCCCC1 ZINC001288508108 1049118321 /nfs/dbraw/zinc/11/83/21/1049118321.db2.gz RDIABDWDVWVYQT-QGZVFWFLSA-N 1 0 392.507 3.916 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001288530210 1049129822 /nfs/dbraw/zinc/12/98/22/1049129822.db2.gz OGADYVINDCQUMB-LPHOPBHVSA-N 1 0 398.580 3.686 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001307236893 1049158093 /nfs/dbraw/zinc/15/80/93/1049158093.db2.gz QGXCBUZBMIFLIZ-HNNXBMFYSA-N 1 0 381.348 3.876 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001288605992 1049158398 /nfs/dbraw/zinc/15/83/98/1049158398.db2.gz DSJBCKBCOCOMER-HNNXBMFYSA-N 1 0 386.931 3.679 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]2CCC[C@H]21)[NH+](C)C ZINC001288607358 1049158598 /nfs/dbraw/zinc/15/85/98/1049158598.db2.gz PDYRDLDMMOMREZ-YVWKXTFCSA-N 1 0 378.524 3.536 20 30 GHEDRO N#Cc1cccc(OCC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC001289331480 1049427895 /nfs/dbraw/zinc/42/78/95/1049427895.db2.gz HBUUIXFQFFKMQX-UHFFFAOYSA-N 1 0 389.499 3.551 20 30 GHEDRO CC(C)Cc1ccc([C@@H]([NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)C2CC2)cc1 ZINC001307615198 1049452010 /nfs/dbraw/zinc/45/20/10/1049452010.db2.gz RNIRCTJJVCLMMN-OAQYLSRUSA-N 1 0 375.476 3.746 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C ZINC001307637796 1049467084 /nfs/dbraw/zinc/46/70/84/1049467084.db2.gz UHLQKZJGGMJYAD-NRFANRHFSA-N 1 0 393.531 3.875 20 30 GHEDRO CC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001307670101 1049492141 /nfs/dbraw/zinc/49/21/41/1049492141.db2.gz NRQPCBZRUFGVQR-HXUWFJFHSA-N 1 0 396.922 3.747 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C12CCCC2 ZINC001307754117 1049568389 /nfs/dbraw/zinc/56/83/89/1049568389.db2.gz KXFRNYDBMKJMON-SFTDATJTSA-N 1 0 383.536 3.878 20 30 GHEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC001307789898 1049593589 /nfs/dbraw/zinc/59/35/89/1049593589.db2.gz UIPSHLDHYPYWJE-FXAWDEMLSA-N 1 0 385.305 3.919 20 30 GHEDRO Cc1cc(=O)oc2cc(OCC[NH+]3CCC(c4ccc(C#N)cn4)CC3)ccc12 ZINC001307956687 1049722268 /nfs/dbraw/zinc/72/22/68/1049722268.db2.gz BHZSVIZZANRBTG-UHFFFAOYSA-N 1 0 389.455 3.627 20 30 GHEDRO N#CC(CC[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1)(c1ccccc1)c1ccccc1 ZINC001308016389 1049766015 /nfs/dbraw/zinc/76/60/15/1049766015.db2.gz FWOFPTVYSOIELT-HSZRJFAPSA-N 1 0 387.527 3.862 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](Cc3cccnc3)C3CCCC3)C2=O)cc1 ZINC001308023789 1049775080 /nfs/dbraw/zinc/77/50/80/1049775080.db2.gz APICJLMGMYXUHW-PKTZIBPZSA-N 1 0 388.515 3.840 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC001308098452 1049844338 /nfs/dbraw/zinc/84/43/38/1049844338.db2.gz DBXRTAHNVJOJFA-QFIPXVFZSA-N 1 0 385.508 3.803 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001308102533 1049849160 /nfs/dbraw/zinc/84/91/60/1049849160.db2.gz HNLUJFGAZRZOBK-MJGOQNOKSA-N 1 0 387.499 3.599 20 30 GHEDRO C=C(C)COCC[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001308325616 1049948828 /nfs/dbraw/zinc/94/88/28/1049948828.db2.gz LRDFKLLADOTTOI-QGZVFWFLSA-N 1 0 378.513 3.520 20 30 GHEDRO C=C(C)COCC[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001308325615 1049948920 /nfs/dbraw/zinc/94/89/20/1049948920.db2.gz LRDFKLLADOTTOI-KRWDZBQOSA-N 1 0 378.513 3.520 20 30 GHEDRO Cn1cc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)c(-c2ccc(C#N)cc2)n1 ZINC001308368149 1049960032 /nfs/dbraw/zinc/96/00/32/1049960032.db2.gz PYJOJEKNLPHIMM-UHFFFAOYSA-N 1 0 386.434 3.778 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC001308385792 1049964417 /nfs/dbraw/zinc/96/44/17/1049964417.db2.gz RHSWVKRKADLMFM-SFHVURJKSA-N 1 0 399.336 3.755 20 30 GHEDRO N#Cc1cc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001306935287 1049973683 /nfs/dbraw/zinc/97/36/83/1049973683.db2.gz NMUDJIOCTZUFMG-UHFFFAOYSA-N 1 0 399.520 3.538 20 30 GHEDRO COc1ccc(C[NH2+]C[C@]2(C)OCCc3ccccc32)cc1OCCCC#N ZINC001308501781 1049991846 /nfs/dbraw/zinc/99/18/46/1049991846.db2.gz MYATUPRLTCVEEG-QHCPKHFHSA-N 1 0 380.488 3.955 20 30 GHEDRO C#CCn1ccc(CN(CCOC)Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001308730725 1050074538 /nfs/dbraw/zinc/07/45/38/1050074538.db2.gz FCYBURXQQNZSSO-UHFFFAOYSA-N 1 0 398.507 3.512 20 30 GHEDRO Cc1cc(Oc2cc(Cl)ccc2C[NH2+]CCn2cnc(C#N)n2)ccc1F ZINC001308752877 1050082030 /nfs/dbraw/zinc/08/20/30/1050082030.db2.gz WSARSXKWVZAUMZ-UHFFFAOYSA-N 1 0 385.830 3.833 20 30 GHEDRO C=C(C)C[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)C(=O)OC ZINC001308903764 1050152612 /nfs/dbraw/zinc/15/26/12/1050152612.db2.gz YKGLWKVOCVQGPL-SFHVURJKSA-N 1 0 395.341 3.511 20 30 GHEDRO C#CCCCCCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001308934718 1050194539 /nfs/dbraw/zinc/19/45/39/1050194539.db2.gz FLUIWKYNIRHORG-IBGZPJMESA-N 1 0 378.557 3.966 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC001327908640 1050321763 /nfs/dbraw/zinc/32/17/63/1050321763.db2.gz SIRPPFJFFZOAGM-UHFFFAOYSA-N 1 0 391.446 3.833 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)s1 ZINC001328425857 1050505555 /nfs/dbraw/zinc/50/55/55/1050505555.db2.gz XBRIPZLURATHBZ-CJNGLKHVSA-N 1 0 385.455 3.775 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc([C@H]2CCN(c3ccc(C#N)cc3F)C2)o1 ZINC001329222434 1050749360 /nfs/dbraw/zinc/74/93/60/1050749360.db2.gz LHTLMCGLLORLQB-WMZOPIPTSA-N 1 0 397.498 3.910 20 30 GHEDRO COc1cc(C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001329643746 1050871500 /nfs/dbraw/zinc/87/15/00/1050871500.db2.gz VAZWMMTZEVDMIA-NRFANRHFSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@@H]1CCc2nc(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)sc2C1 ZINC001329660776 1050875844 /nfs/dbraw/zinc/87/58/44/1050875844.db2.gz CMGDAIPFXPYTRF-MRXNPFEDSA-N 1 0 380.561 3.894 20 30 GHEDRO C=CCn1c([C@@H]2CCCCN2C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001339528331 1050894164 /nfs/dbraw/zinc/89/41/64/1050894164.db2.gz IWDNLYWNPNTOMT-PMACEKPBSA-N 1 0 380.540 3.702 20 30 GHEDRO CS(=O)(=O)Nc1ccccc1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC001330026818 1050941758 /nfs/dbraw/zinc/94/17/58/1050941758.db2.gz AWHOODSYKMMQOI-UHFFFAOYSA-N 1 0 386.521 3.512 20 30 GHEDRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331329531 1051249887 /nfs/dbraw/zinc/24/98/87/1051249887.db2.gz BFPZLOOXQAOTIU-LVGNYBRPSA-N 1 0 391.437 3.682 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC001310546176 1051436784 /nfs/dbraw/zinc/43/67/84/1051436784.db2.gz UAWLZPCTJQVRIK-MRXNPFEDSA-N 1 0 398.486 3.659 20 30 GHEDRO C#CC[C@H](CCOC)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001332484015 1051529976 /nfs/dbraw/zinc/52/99/76/1051529976.db2.gz RDZDHAXXYYUDHF-OAQYLSRUSA-N 1 0 385.552 3.679 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001310862974 1051661851 /nfs/dbraw/zinc/66/18/51/1051661851.db2.gz CXPFCCXFDLEWOY-CZUORRHYSA-N 1 0 394.313 3.572 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@@H+](C)CCCC ZINC001310862717 1051662237 /nfs/dbraw/zinc/66/22/37/1051662237.db2.gz SLUWNAOYYCYAAS-UHFFFAOYSA-N 1 0 384.318 3.867 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(F)cc1F ZINC001311136873 1051895067 /nfs/dbraw/zinc/89/50/67/1051895067.db2.gz YKNDHLPEJZWRQR-UHFFFAOYSA-N 1 0 376.451 3.956 20 30 GHEDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC001335315545 1052070789 /nfs/dbraw/zinc/07/07/89/1052070789.db2.gz YUMFGDXLFMFMFS-IERDGZPVSA-N 1 0 380.492 3.816 20 30 GHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)COc3ccccc3C#N)cc2)cs1 ZINC001335351694 1052082765 /nfs/dbraw/zinc/08/27/65/1052082765.db2.gz GRNJHYAAYQFCHR-FQEVSTJZSA-N 1 0 393.512 3.562 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001311574547 1052256344 /nfs/dbraw/zinc/25/63/44/1052256344.db2.gz ZHHOZNGNEILXCJ-NRFANRHFSA-N 1 0 381.520 3.916 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC001311666102 1052314253 /nfs/dbraw/zinc/31/42/53/1052314253.db2.gz NPAXUPRXEROSPE-BWAGFHJFSA-N 1 0 385.552 3.841 20 30 GHEDRO C=CCCC(C)(C)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311825055 1052423000 /nfs/dbraw/zinc/42/30/00/1052423000.db2.gz YSMULCDVCXHDLG-MRXNPFEDSA-N 1 0 376.520 3.683 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001312252943 1052661651 /nfs/dbraw/zinc/66/16/51/1052661651.db2.gz LBTDSOWFBZELLC-CZAAIQMYSA-N 1 0 381.907 3.977 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001312739938 1052853538 /nfs/dbraw/zinc/85/35/38/1052853538.db2.gz KDICFXBQSJXBBN-BDTNDASRSA-N 1 0 382.552 3.978 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC001313375760 1053036343 /nfs/dbraw/zinc/03/63/43/1053036343.db2.gz PGLPCELGTVVYSU-WBWZNMHFSA-N 1 0 380.536 3.875 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001342368197 1053132233 /nfs/dbraw/zinc/13/22/33/1053132233.db2.gz MLRIAWJGLZIKIL-KRWDZBQOSA-N 1 0 377.602 3.633 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001342454404 1053178364 /nfs/dbraw/zinc/17/83/64/1053178364.db2.gz KCPRZOLQGGNQNR-PKOBYXMFSA-N 1 0 387.572 3.652 20 30 GHEDRO CC[NH+](CC)Cc1ccc(Cn2c(C)nnc2N2CCC(C)(C#N)CC2)cc1 ZINC001313704440 1053182856 /nfs/dbraw/zinc/18/28/56/1053182856.db2.gz MOGQUZZFSGBHJA-UHFFFAOYSA-N 1 0 380.540 3.607 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001342521070 1053214501 /nfs/dbraw/zinc/21/45/01/1053214501.db2.gz DQSPHXOFMFGRGI-QHCPKHFHSA-N 1 0 399.583 3.747 20 30 GHEDRO C=CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCOC)c1ccccc1 ZINC001342720921 1053319530 /nfs/dbraw/zinc/31/95/30/1053319530.db2.gz AJKNRWXHGCLPBO-NRFANRHFSA-N 1 0 397.567 3.599 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001342924844 1053439451 /nfs/dbraw/zinc/43/94/51/1053439451.db2.gz OMCLUDMISAKEIQ-SLFFLAALSA-N 1 0 382.556 3.574 20 30 GHEDRO C=C(C)Cn1c(-c2c(C)n[nH]c2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001343045344 1053514779 /nfs/dbraw/zinc/51/47/79/1053514779.db2.gz SWRJGWXFJKZMDB-UHFFFAOYSA-N 1 0 399.587 3.809 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)n1CC(C)C ZINC001343046052 1053515862 /nfs/dbraw/zinc/51/58/62/1053515862.db2.gz UNDAMFFGAQUTMA-IPMKNSEASA-N 1 0 386.588 3.682 20 30 GHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)[NH+](C)C)C1CC1 ZINC001314649333 1053550146 /nfs/dbraw/zinc/55/01/46/1053550146.db2.gz VAJMUQJFGGQRPL-SFHVURJKSA-N 1 0 392.532 3.780 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(C2CCC2)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001314651673 1053551301 /nfs/dbraw/zinc/55/13/01/1053551301.db2.gz WUIHJCXNJLOXNR-HXUWFJFHSA-N 1 0 378.524 3.588 20 30 GHEDRO C=C[C@@H](O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CC(=C)C ZINC001343535173 1053850573 /nfs/dbraw/zinc/85/05/73/1053850573.db2.gz AHPUVZWITCZQEP-AZUAARDMSA-N 1 0 387.572 3.555 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001343689729 1053973830 /nfs/dbraw/zinc/97/38/30/1053973830.db2.gz CSEOBZLXUWWMJO-ZCNNSNEGSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SCC)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343760889 1054004783 /nfs/dbraw/zinc/00/47/83/1054004783.db2.gz SCXDFWZUUBHDON-KRWDZBQOSA-N 1 0 379.618 3.849 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001343823760 1054050194 /nfs/dbraw/zinc/05/01/94/1054050194.db2.gz QYBBBYMESDVFKN-SJLPKXTDSA-N 1 0 386.569 3.770 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001343966776 1054148835 /nfs/dbraw/zinc/14/88/35/1054148835.db2.gz PUGILJBEQPTNID-RLFYNMQTSA-N 1 0 398.382 3.684 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1cccs1 ZINC001344771573 1054733680 /nfs/dbraw/zinc/73/36/80/1054733680.db2.gz KKSBGDFYFZAWCR-KRWDZBQOSA-N 1 0 398.580 3.545 20 30 GHEDRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H](C)CCC#N)n3CC3CC3)CC2)c1 ZINC001345748914 1055240438 /nfs/dbraw/zinc/24/04/38/1055240438.db2.gz GECFIXXEORWONN-IBGZPJMESA-N 1 0 392.551 3.726 20 30 GHEDRO C=C[C@@H](COC)NC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001320304428 1055746011 /nfs/dbraw/zinc/74/60/11/1055746011.db2.gz YPWZWEDHOSWXHY-PZJWPPBQSA-N 1 0 389.540 3.789 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C(F)F)c1 ZINC001320508163 1055849857 /nfs/dbraw/zinc/84/98/57/1055849857.db2.gz QNILUJITYOOGSC-UHFFFAOYSA-N 1 0 386.446 3.769 20 30 GHEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001320719189 1055939261 /nfs/dbraw/zinc/93/92/61/1055939261.db2.gz RPXPOLPQAKBRIX-LZQZEXGQSA-N 1 0 375.472 3.511 20 30 GHEDRO C=CCO[C@H]1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899744 1056005920 /nfs/dbraw/zinc/00/59/20/1056005920.db2.gz WIEPQFPIVYPABH-JSGCOSHPSA-N 1 0 393.459 3.692 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001300629106 1056720223 /nfs/dbraw/zinc/72/02/23/1056720223.db2.gz LVFKYWKMZIBZSZ-UHFFFAOYSA-N 1 0 399.970 3.856 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1CC[N@H+](C)C1CCCCC1 ZINC001300634221 1056735773 /nfs/dbraw/zinc/73/57/73/1056735773.db2.gz XJFXNDPQSROXRS-UHFFFAOYSA-N 1 0 385.581 3.654 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CC[N@H+]1CC=CCC1 ZINC001300647694 1056765391 /nfs/dbraw/zinc/76/53/91/1056765391.db2.gz IZWGJOTXZYLHKB-UHFFFAOYSA-N 1 0 393.510 3.586 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCc2ccc(OCC#N)cc2)c1 ZINC001322731291 1056823358 /nfs/dbraw/zinc/82/33/58/1056823358.db2.gz JSTKQVKWAWRYNE-JOCHJYFZSA-N 1 0 377.488 3.568 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)cc1 ZINC001322801625 1056852998 /nfs/dbraw/zinc/85/29/98/1056852998.db2.gz XUXBXEGTNVRVLJ-UHFFFAOYSA-N 1 0 391.490 3.772 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC001323396307 1056963997 /nfs/dbraw/zinc/96/39/97/1056963997.db2.gz IZKSTSLDRGCSJU-OAHLLOKOSA-N 1 0 390.405 3.798 20 30 GHEDRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000848406109 1057069400 /nfs/dbraw/zinc/06/94/00/1057069400.db2.gz AYZLQNUTHVEJEC-HZPDHXFCSA-N 1 0 379.936 3.576 20 30 GHEDRO C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001325000457 1057261180 /nfs/dbraw/zinc/26/11/80/1057261180.db2.gz CZTICXHPYFZBDD-GOSISDBHSA-N 1 0 385.515 3.890 20 30 GHEDRO C=CCn1c(CCc2c[nH]c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001355838556 1057289371 /nfs/dbraw/zinc/28/93/71/1057289371.db2.gz WKFLMBJBFKHRJB-UHFFFAOYSA-N 1 0 392.551 3.697 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001355874675 1057301971 /nfs/dbraw/zinc/30/19/71/1057301971.db2.gz RZYLOKMMYGXOAB-MRXNPFEDSA-N 1 0 384.553 3.530 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001355990060 1057346725 /nfs/dbraw/zinc/34/67/25/1057346725.db2.gz IEVGHYBBUUWRLX-GOSISDBHSA-N 1 0 386.569 3.770 20 30 GHEDRO N#CCOc1cccc(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001325843619 1057372743 /nfs/dbraw/zinc/37/27/43/1057372743.db2.gz FUOPPKCYSWXIDG-UHFFFAOYSA-N 1 0 377.366 3.726 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c(C#N)c1C ZINC001325996349 1057393507 /nfs/dbraw/zinc/39/35/07/1057393507.db2.gz NXIXXXQHKCCSGX-GOSISDBHSA-N 1 0 394.519 3.611 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@]1(C)CCC=CO1 ZINC001356239207 1057443460 /nfs/dbraw/zinc/44/34/60/1057443460.db2.gz POKKFVFGKXOOJP-QFIPXVFZSA-N 1 0 387.572 3.950 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(OCC)CCC1 ZINC001356265404 1057453046 /nfs/dbraw/zinc/45/30/46/1057453046.db2.gz IHFNOBYDWJSIKP-UYAOXDASSA-N 1 0 399.583 3.723 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(OCC)CCC1 ZINC001356265403 1057453076 /nfs/dbraw/zinc/45/30/76/1057453076.db2.gz IHFNOBYDWJSIKP-QUCCMNQESA-N 1 0 399.583 3.723 20 30 GHEDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001326571893 1057514523 /nfs/dbraw/zinc/51/45/23/1057514523.db2.gz LGOFXRDRUGXXLE-PMACEKPBSA-N 1 0 394.471 3.577 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000849078672 1057583734 /nfs/dbraw/zinc/58/37/34/1057583734.db2.gz JUWGCWBKGQBCGC-FQEVSTJZSA-N 1 0 385.533 3.520 20 30 GHEDRO Cn1c([C@@H]2CCCCN2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338394765 1058545232 /nfs/dbraw/zinc/54/52/32/1058545232.db2.gz LJKKMBXJSRXLEV-UGKGYDQZSA-N 1 0 378.524 3.672 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C)c(C#N)c(C)c3)CC2)cc1 ZINC001440870822 1058645601 /nfs/dbraw/zinc/64/56/01/1058645601.db2.gz LFMAMFRRUAKMTE-UHFFFAOYSA-N 1 0 377.488 3.532 20 30 GHEDRO C=CCn1c([C@@H](O)CCCCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001338653819 1058710082 /nfs/dbraw/zinc/71/00/82/1058710082.db2.gz MUHXITAAPKIDMA-IBGZPJMESA-N 1 0 375.561 3.533 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001338790900 1058787542 /nfs/dbraw/zinc/78/75/42/1058787542.db2.gz VMIAWPKWSQTXHA-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001338866709 1058843113 /nfs/dbraw/zinc/84/31/13/1058843113.db2.gz DTRZALGRUPWZLC-PZJWPPBQSA-N 1 0 392.551 3.830 20 30 GHEDRO C=CCn1c(C[C@H](C)SCC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001338939447 1058894109 /nfs/dbraw/zinc/89/41/09/1058894109.db2.gz WJCJLXCCSVAMBW-KRWDZBQOSA-N 1 0 379.618 3.705 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001442136334 1058925359 /nfs/dbraw/zinc/92/53/59/1058925359.db2.gz LYYBFSSXCKLDRA-LMMUQKOOSA-N 1 0 386.536 3.756 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N(C)Cc1nc2ccccc2s1 ZINC001339096054 1058957927 /nfs/dbraw/zinc/95/79/27/1058957927.db2.gz TZMMNECBSMAYPV-UHFFFAOYSA-N 1 0 382.537 3.519 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC001339251695 1059041263 /nfs/dbraw/zinc/04/12/63/1059041263.db2.gz FNTARMHRUZNGOO-WMZHIEFXSA-N 1 0 392.551 3.715 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001339500677 1059259229 /nfs/dbraw/zinc/25/92/29/1059259229.db2.gz QOZBORIVKPVOOB-INIZCTEOSA-N 1 0 396.495 3.547 20 30 GHEDRO C=CCn1c([C@H](CC)[C@H](O)c2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001340414108 1059918754 /nfs/dbraw/zinc/91/87/54/1059918754.db2.gz FQLUDSWPQKYPPI-NHCUHLMSSA-N 1 0 397.567 3.612 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1C1(OCC)CCC1 ZINC001340520279 1059960466 /nfs/dbraw/zinc/96/04/66/1059960466.db2.gz LZAGPIRGFHSLOR-UHFFFAOYSA-N 1 0 387.572 3.725 20 30 GHEDRO C=CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001340615691 1059996876 /nfs/dbraw/zinc/99/68/76/1059996876.db2.gz NNYWBZLCPRQANT-UHFFFAOYSA-N 1 0 378.524 3.508 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC2(CCCC2)C1 ZINC001340636753 1060009295 /nfs/dbraw/zinc/00/92/95/1060009295.db2.gz SMANOBXTCVIOSC-FQEVSTJZSA-N 1 0 399.583 3.941 20 30 GHEDRO CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001546004119 1060145592 /nfs/dbraw/zinc/14/55/92/1060145592.db2.gz WQPQXOXBPVFQKO-LJQANCHMSA-N 1 0 398.580 3.545 20 30 GHEDRO CCn1c(C2CCN(CCC#N)CC2)nnc1N(Cc1cccs1)C1CC1 ZINC001341034571 1060345523 /nfs/dbraw/zinc/34/55/23/1060345523.db2.gz CMQZBSWNFCBHIU-UHFFFAOYSA-N 1 0 384.553 3.622 20 30 GHEDRO CCn1c(C2CCN(CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001341034553 1060345800 /nfs/dbraw/zinc/34/58/00/1060345800.db2.gz CAOFHWFIMVFMAA-INIZCTEOSA-N 1 0 384.503 3.728 20 30 GHEDRO C=C(CCC(=O)OC)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449932237 1060485320 /nfs/dbraw/zinc/48/53/20/1060485320.db2.gz AALRJUIYRYERHD-JOCHJYFZSA-N 1 0 398.547 3.645 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(CC)CC1 ZINC001341667414 1060799548 /nfs/dbraw/zinc/79/95/48/1060799548.db2.gz GKFFKTLUZLYBGH-HXUWFJFHSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001341948256 1060964078 /nfs/dbraw/zinc/96/40/78/1060964078.db2.gz ZNUFOPSEGOZXNO-UHFFFAOYSA-N 1 0 393.626 3.788 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001342090443 1061050951 /nfs/dbraw/zinc/05/09/51/1061050951.db2.gz UUNKSELSNAXYQA-WOJBJXKFSA-N 1 0 384.572 3.791 20 30 GHEDRO C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342114773 1061066098 /nfs/dbraw/zinc/06/60/98/1061066098.db2.gz NIEBUNFYPNFUQY-XYJFISCASA-N 1 0 375.586 3.731 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)C(C)(C)O)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001342120879 1061067478 /nfs/dbraw/zinc/06/74/78/1061067478.db2.gz GHZRUYGDLDQAHV-MOPGFXCFSA-N 1 0 397.567 3.612 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(C3(C#N)CCCC3)n2Cc2ccccc2)CC1 ZINC001342191282 1061120636 /nfs/dbraw/zinc/12/06/36/1061120636.db2.gz STTDNJLMRITZDR-UHFFFAOYSA-N 1 0 392.551 3.582 20 30 GHEDRO CC[N@@H+]1CCCN(c2nnc(C3(C#N)CCCCC3)n2Cc2cccs2)CC1 ZINC001345960212 1061245205 /nfs/dbraw/zinc/24/52/05/1061245205.db2.gz NCOYGPDXOHBZGM-UHFFFAOYSA-N 1 0 398.580 3.645 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(COc3ccc(F)cc3)cc2)CCOCC1 ZINC001346367968 1061533792 /nfs/dbraw/zinc/53/37/92/1061533792.db2.gz VFQSSYQDVFTPRF-NRFANRHFSA-N 1 0 398.478 3.566 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 ZINC001346538239 1061663276 /nfs/dbraw/zinc/66/32/76/1061663276.db2.gz VYBOMYCETBHXIF-GOSISDBHSA-N 1 0 377.444 3.577 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc1 ZINC001454403458 1061757375 /nfs/dbraw/zinc/75/73/75/1061757375.db2.gz JTPVMDABOJIWTC-WMZHIEFXSA-N 1 0 378.516 3.821 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC001455009309 1061976566 /nfs/dbraw/zinc/97/65/66/1061976566.db2.gz HWFFZHGJKVBXDO-OAQYLSRUSA-N 1 0 394.515 3.502 20 30 GHEDRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)CC#N)[NH+](C)C ZINC001545814589 1062020755 /nfs/dbraw/zinc/02/07/55/1062020755.db2.gz DAMXDIKEXMSRJQ-YTQUADARSA-N 1 0 390.576 3.624 20 30 GHEDRO Cc1nc(C2CCC2)sc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001435082321 1062280685 /nfs/dbraw/zinc/28/06/85/1062280685.db2.gz YEAAMFLMEYFVKS-UHFFFAOYSA-N 1 0 396.560 3.724 20 30 GHEDRO N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)c2)cc1 ZINC001455779751 1062289115 /nfs/dbraw/zinc/28/91/15/1062289115.db2.gz IWHOODNEKYOLQE-NHCUHLMSSA-N 1 0 392.528 3.611 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)c1ccccc1 ZINC001457208074 1063027659 /nfs/dbraw/zinc/02/76/59/1063027659.db2.gz RVRINLAKLKMCFT-MQGIHEMASA-N 1 0 382.479 3.997 20 30 GHEDRO N#CC1(COC(=O)c2nccc3cccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC001348955138 1063439963 /nfs/dbraw/zinc/43/99/63/1063439963.db2.gz XISYHVZJMUZVSK-UHFFFAOYSA-N 1 0 386.455 3.593 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c2c1 ZINC001458106485 1063570180 /nfs/dbraw/zinc/57/01/80/1063570180.db2.gz GADVZQQSZAMNBG-IYBDPMFKSA-N 1 0 382.508 3.904 20 30 GHEDRO C[N@@H+](Cc1ccc(OC(F)F)cc1OC(F)F)C[C@@H](O)c1cccc(C#N)c1 ZINC001349564135 1063792863 /nfs/dbraw/zinc/79/28/63/1063792863.db2.gz LNCOFXUVAHDZDY-MRXNPFEDSA-N 1 0 398.356 3.926 20 30 GHEDRO Cc1ccc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1C ZINC001459179018 1064015550 /nfs/dbraw/zinc/01/55/50/1064015550.db2.gz IRMHGRZPFIZZDN-UHFFFAOYSA-N 1 0 383.495 3.943 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC001459390052 1064082930 /nfs/dbraw/zinc/08/29/30/1064082930.db2.gz FTCXDYWCZZGAMV-MOPGFXCFSA-N 1 0 394.515 3.754 20 30 GHEDRO Cn1c(C2=[NH+]N(c3ccccc3)[C@@H](C#N)C2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001350441378 1064087715 /nfs/dbraw/zinc/08/77/15/1064087715.db2.gz JXVKUSKMBKHVFC-CTNGQTDRSA-N 1 0 397.486 3.663 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2F)CC1 ZINC001438745847 1064107189 /nfs/dbraw/zinc/10/71/89/1064107189.db2.gz ICWBTWDHCRVBGV-UHFFFAOYSA-N 1 0 392.478 3.510 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001459605990 1064139763 /nfs/dbraw/zinc/13/97/63/1064139763.db2.gz FJHXPXJLWGWYKL-LJQANCHMSA-N 1 0 379.504 3.773 20 30 GHEDRO CCCN(C(=O)Nc1ccn(CCC#N)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001351332097 1064385209 /nfs/dbraw/zinc/38/52/09/1064385209.db2.gz DIVMUQCKSYPDJV-FQEVSTJZSA-N 1 0 394.523 3.705 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(CCCC#N)n2CC2CC2)C1 ZINC001351358017 1064401694 /nfs/dbraw/zinc/40/16/94/1064401694.db2.gz BEQVNNUITGNJBI-ICSRJNTNSA-N 1 0 384.572 3.625 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)C(C)C ZINC001463522236 1064431935 /nfs/dbraw/zinc/43/19/35/1064431935.db2.gz AEIYDADWFVGFJA-OAQYLSRUSA-N 1 0 376.566 3.542 20 30 GHEDRO Cc1ccc(F)c2[nH]c(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC001351510712 1064490965 /nfs/dbraw/zinc/49/09/65/1064490965.db2.gz DVRNRKQBYUOCLH-UHFFFAOYSA-N 1 0 390.462 3.904 20 30 GHEDRO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)cc2C#N)CCCCCC1 ZINC001463710348 1064562973 /nfs/dbraw/zinc/56/29/73/1064562973.db2.gz IAEHDBHGJZKTCP-UHFFFAOYSA-N 1 0 392.341 3.634 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Cl)nc(C4CC4)c3)CC2)c1 ZINC000847098217 1064700288 /nfs/dbraw/zinc/70/02/88/1064700288.db2.gz NJKYSHMJLWOSFK-UHFFFAOYSA-N 1 0 394.906 3.878 20 30 GHEDRO COCC#CC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 ZINC001464208838 1064907712 /nfs/dbraw/zinc/90/77/12/1064907712.db2.gz WPPIHBVOJNCMOD-OAQYLSRUSA-N 1 0 396.556 3.737 20 30 GHEDRO CCc1ccc(C#CC(=O)NCc2ccccc2OCC[NH+](CC)CC)cc1 ZINC001464266042 1064932954 /nfs/dbraw/zinc/93/29/54/1064932954.db2.gz GCLSJRBXADAIIQ-UHFFFAOYSA-N 1 0 378.516 3.638 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 ZINC001464538081 1065070077 /nfs/dbraw/zinc/07/00/77/1065070077.db2.gz RQLBFPFJDKWLIZ-UHFFFAOYSA-N 1 0 391.519 3.512 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC001464580364 1065094215 /nfs/dbraw/zinc/09/42/15/1065094215.db2.gz BXIVBIAPBULIEB-HSZRJFAPSA-N 1 0 376.500 3.964 20 30 GHEDRO CC(C)(C)OCCCN1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001465061458 1065363035 /nfs/dbraw/zinc/36/30/35/1065363035.db2.gz ITDRMXJILWJWFY-UHFFFAOYSA-N 1 0 378.904 3.566 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001465221304 1065471952 /nfs/dbraw/zinc/47/19/52/1065471952.db2.gz WYYINPBEADDKRQ-IBGZPJMESA-N 1 0 393.491 3.987 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001465666446 1065781344 /nfs/dbraw/zinc/78/13/44/1065781344.db2.gz XTEJZAPVCRDGRI-LJQANCHMSA-N 1 0 393.572 3.759 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)c2cc(F)c(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001466126392 1065991344 /nfs/dbraw/zinc/99/13/44/1065991344.db2.gz QEHUETPLLKQYLA-RDJZCZTQSA-N 1 0 383.442 3.867 20 30 GHEDRO CC(C)Oc1ncccc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746579 1066015549 /nfs/dbraw/zinc/01/55/49/1066015549.db2.gz NJVQFAXHNXRNDB-UHFFFAOYSA-N 1 0 393.487 3.832 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc(OC)c1O ZINC001200376871 1066028304 /nfs/dbraw/zinc/02/83/04/1066028304.db2.gz HHYPUFNKMABXIH-QGZVFWFLSA-N 1 0 378.513 3.768 20 30 GHEDRO COCc1ccsc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748140 1066030716 /nfs/dbraw/zinc/03/07/16/1066030716.db2.gz YJONBVPUBRPTLQ-UHFFFAOYSA-N 1 0 384.501 3.857 20 30 GHEDRO N#CC1(COC(=O)c2c[nH]nc2-c2ccoc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748117 1066031163 /nfs/dbraw/zinc/03/11/63/1066031163.db2.gz XSODRJKPCPWHJI-UHFFFAOYSA-N 1 0 390.443 3.632 20 30 GHEDRO N#CC1(COC(=O)[C@H]2OCCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847749605 1066034415 /nfs/dbraw/zinc/03/44/15/1066034415.db2.gz WFGBANVGADSGQQ-QFIPXVFZSA-N 1 0 390.483 3.650 20 30 GHEDRO C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001300361297 1066103272 /nfs/dbraw/zinc/10/32/72/1066103272.db2.gz DTECNBCQYBDAGB-FQEVSTJZSA-N 1 0 387.572 3.634 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001200402982 1066111264 /nfs/dbraw/zinc/11/12/64/1066111264.db2.gz RYOHXJWQAKUMQF-IBGZPJMESA-N 1 0 377.488 3.684 20 30 GHEDRO C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001300386520 1066154392 /nfs/dbraw/zinc/15/43/92/1066154392.db2.gz QFTTXMNDOSKIEO-QFBILLFUSA-N 1 0 383.927 3.685 20 30 GHEDRO C[NH+]1CCC(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 ZINC001466516062 1066177286 /nfs/dbraw/zinc/17/72/86/1066177286.db2.gz JNWMIMORFXPBMU-UHFFFAOYSA-N 1 0 394.523 3.505 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001467194346 1067141083 /nfs/dbraw/zinc/14/10/83/1067141083.db2.gz PPIUHJGJTWVTOP-KRWDZBQOSA-N 1 0 382.430 3.725 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2n1 ZINC001467351628 1067244366 /nfs/dbraw/zinc/24/43/66/1067244366.db2.gz BEUYPZMDJOMQKY-HTAPYJJXSA-N 1 0 389.503 3.864 20 30 GHEDRO C#Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC001467487996 1067322540 /nfs/dbraw/zinc/32/25/40/1067322540.db2.gz NBFMJPUZGSYSKH-UHFFFAOYSA-N 1 0 377.488 3.710 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(C(C)(C)CC#N)n2CCc2ccccc2)CC1 ZINC001358043708 1067375670 /nfs/dbraw/zinc/37/56/70/1067375670.db2.gz NOXLYKRSUUPZAX-UHFFFAOYSA-N 1 0 394.567 3.679 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)C(C)C ZINC001467660522 1067404809 /nfs/dbraw/zinc/40/48/09/1067404809.db2.gz RFRSMZOSJVFHDK-QFIPXVFZSA-N 1 0 380.536 3.519 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001467909840 1067524594 /nfs/dbraw/zinc/52/45/94/1067524594.db2.gz OQQSPBDPPVCBSH-IBGZPJMESA-N 1 0 395.469 3.867 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001358882550 1067594278 /nfs/dbraw/zinc/59/42/78/1067594278.db2.gz CBGLIQCTRZYDDQ-FXAWDEMLSA-N 1 0 397.567 3.778 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001358914554 1067610942 /nfs/dbraw/zinc/61/09/42/1067610942.db2.gz XXIHLSPMNJPLLJ-UHFFFAOYSA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001358915798 1067611550 /nfs/dbraw/zinc/61/15/50/1067611550.db2.gz PRTHITBUYGTTBI-IFMALSPDSA-N 1 0 391.563 3.540 20 30 GHEDRO C#CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001358915073 1067611600 /nfs/dbraw/zinc/61/16/00/1067611600.db2.gz QWYFLQKADOUIOQ-HXUWFJFHSA-N 1 0 397.592 3.799 20 30 GHEDRO C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001358923621 1067614879 /nfs/dbraw/zinc/61/48/79/1067614879.db2.gz VFWDSRALEPSWLF-UHFFFAOYSA-N 1 0 390.535 3.541 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)[NH+](C)C ZINC001358943200 1067624054 /nfs/dbraw/zinc/62/40/54/1067624054.db2.gz ZSMQNAWQJNZQTI-HNNXBMFYSA-N 1 0 397.523 3.832 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+](C(C)C)C(C)C ZINC001359004714 1067646223 /nfs/dbraw/zinc/64/62/23/1067646223.db2.gz GVKJEAHORLCQKX-UHFFFAOYSA-N 1 0 388.947 3.572 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001359006415 1067648490 /nfs/dbraw/zinc/64/84/90/1067648490.db2.gz TZEDIHHDOBSBPK-SFHVURJKSA-N 1 0 394.548 3.631 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCCC[C@H]1CC ZINC001359011437 1067652282 /nfs/dbraw/zinc/65/22/82/1067652282.db2.gz XNGGMEYFDRPTSA-HXUWFJFHSA-N 1 0 397.542 3.732 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@@H](C)[NH+](CC)CC ZINC001359068167 1067669029 /nfs/dbraw/zinc/66/90/29/1067669029.db2.gz QKQDXUFZENLNTG-AUSIDOKSSA-N 1 0 379.552 3.976 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359071304 1067671460 /nfs/dbraw/zinc/67/14/60/1067671460.db2.gz LVJSSPIYYJATMK-FDDCHVKYSA-N 1 0 379.552 3.962 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)C[NH+](C)C ZINC001359109527 1067688215 /nfs/dbraw/zinc/68/82/15/1067688215.db2.gz FIJKIEBUKDUBEI-UHFFFAOYSA-N 1 0 399.539 3.664 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359112969 1067691981 /nfs/dbraw/zinc/69/19/81/1067691981.db2.gz WXQBKQCGXRUONB-HDICACEKSA-N 1 0 389.588 3.836 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359151930 1067712562 /nfs/dbraw/zinc/71/25/62/1067712562.db2.gz HDLKHAXYQIHACP-HZPDHXFCSA-N 1 0 391.922 3.679 20 30 GHEDRO C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001359168203 1067722757 /nfs/dbraw/zinc/72/27/57/1067722757.db2.gz LTNPPXMPPXGSLR-IBGZPJMESA-N 1 0 383.540 3.580 20 30 GHEDRO C=CC1CCN(c2nnc(CC3CC3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001359180791 1067742439 /nfs/dbraw/zinc/74/24/39/1067742439.db2.gz SYOLBVLLLDCTHR-UHFFFAOYSA-N 1 0 399.505 3.907 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849505936 1067881030 /nfs/dbraw/zinc/88/10/30/1067881030.db2.gz KOXXQGMGWJVMOL-LEWJYISDSA-N 1 0 398.526 3.588 20 30 GHEDRO C=CCN(c1nnc(COCC)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC001359253753 1067908493 /nfs/dbraw/zinc/90/84/93/1067908493.db2.gz SOHFFUMPZXSDAA-HDICACEKSA-N 1 0 389.588 3.726 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC001359253748 1067908712 /nfs/dbraw/zinc/90/87/12/1067908712.db2.gz SHKNGNCLJKULKQ-LEWJYISDSA-N 1 0 395.551 3.896 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001468849420 1067909334 /nfs/dbraw/zinc/90/93/34/1067909334.db2.gz YCHBQHMBWWJZOX-UHFFFAOYSA-N 1 0 383.536 3.544 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001359254340 1067909984 /nfs/dbraw/zinc/90/99/84/1067909984.db2.gz NIODBLSZQRHPMU-OAQYLSRUSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1CC[N@H+]1CC=CCC1 ZINC001359261623 1067924658 /nfs/dbraw/zinc/92/46/58/1067924658.db2.gz PFSOFCLAGNTKLL-UHFFFAOYSA-N 1 0 395.526 3.824 20 30 GHEDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001468934896 1067932268 /nfs/dbraw/zinc/93/22/68/1067932268.db2.gz HSZHCCXMSACHNV-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359288500 1067980007 /nfs/dbraw/zinc/98/00/07/1067980007.db2.gz INBGKTWYKKJVTQ-UHFFFAOYSA-N 1 0 385.581 3.819 20 30 GHEDRO C=CCOc1ccc(Cn2c(C)nnc2N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001359306669 1068023259 /nfs/dbraw/zinc/02/32/59/1068023259.db2.gz NLGYANBUKBROMN-UHFFFAOYSA-N 1 0 395.551 3.654 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001359311581 1068026395 /nfs/dbraw/zinc/02/63/95/1068026395.db2.gz DFYCUKFTOMSUSH-SFTDATJTSA-N 1 0 397.567 3.794 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359317381 1068028846 /nfs/dbraw/zinc/02/88/46/1068028846.db2.gz HMQQSAKNFLUEEF-OAQYLSRUSA-N 1 0 395.551 3.601 20 30 GHEDRO C=CCSCCn1c(C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359337508 1068035775 /nfs/dbraw/zinc/03/57/75/1068035775.db2.gz UJQGVQZJKANWPI-PKOBYXMFSA-N 1 0 377.602 3.597 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[NH+]1CCCCC1 ZINC001359472152 1068067582 /nfs/dbraw/zinc/06/75/82/1068067582.db2.gz GVENZTNWTLSRMM-KRWDZBQOSA-N 1 0 391.523 3.508 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC001469562134 1068226271 /nfs/dbraw/zinc/22/62/71/1068226271.db2.gz JUENXKQPOWCANY-LJQANCHMSA-N 1 0 379.504 3.581 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)C1 ZINC001478067297 1078700456 /nfs/dbraw/zinc/70/04/56/1078700456.db2.gz ZKGNBJQDHKYJNC-HXUWFJFHSA-N 1 0 397.563 3.885 20 30 GHEDRO C=CC1(CC(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCCCC1 ZINC001360160886 1068393595 /nfs/dbraw/zinc/39/35/95/1068393595.db2.gz VDZDOPRJYSPBCI-UHFFFAOYSA-N 1 0 383.536 3.977 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001360412552 1068490167 /nfs/dbraw/zinc/49/01/67/1068490167.db2.gz SYLQLKHTHRDCQD-IBGZPJMESA-N 1 0 380.488 3.654 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001360472234 1068521576 /nfs/dbraw/zinc/52/15/76/1068521576.db2.gz ZCYJKLWZBUWFQF-FUHWJXTLSA-N 1 0 396.514 3.839 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951499 1068709567 /nfs/dbraw/zinc/70/95/67/1068709567.db2.gz ACRBSCLZOXYXDJ-HKUYNNGSSA-N 1 0 398.469 3.881 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001478285337 1078797351 /nfs/dbraw/zinc/79/73/51/1078797351.db2.gz WOVOOIDBAASCOU-OKKOYFSCSA-N 1 0 379.548 3.778 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001478285339 1078797536 /nfs/dbraw/zinc/79/75/36/1078797536.db2.gz WOVOOIDBAASCOU-YRFMLNNJSA-N 1 0 379.548 3.778 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460341630 1068932907 /nfs/dbraw/zinc/93/29/07/1068932907.db2.gz WGBPQYBLUMQSSU-XLIONFOSSA-N 1 0 387.524 3.952 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+]C(C)(C)c2ccc(C(C)C)cc2)c1 ZINC001460420029 1068959092 /nfs/dbraw/zinc/95/90/92/1068959092.db2.gz VLDRQEREEOELTM-UHFFFAOYSA-N 1 0 377.488 3.964 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001460658953 1069064813 /nfs/dbraw/zinc/06/48/13/1069064813.db2.gz RKDVIHGIAPFXET-AHRSYUTCSA-N 1 0 394.519 3.800 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3ccc(CC#N)cc3)C2)O1 ZINC001460687991 1069087243 /nfs/dbraw/zinc/08/72/43/1069087243.db2.gz DQCGOODJQFJIPY-GBXCKJPGSA-N 1 0 375.516 3.618 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460876694 1069245942 /nfs/dbraw/zinc/24/59/42/1069245942.db2.gz ORVGAWKXDWDKHY-MRXNPFEDSA-N 1 0 385.508 3.720 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001478555282 1078915656 /nfs/dbraw/zinc/91/56/56/1078915656.db2.gz BWRCDYBYTQKBQO-XMMPIXPASA-N 1 0 393.506 3.883 20 30 GHEDRO C[C@]12CN(C(=O)c3cc(F)c(C#N)c(F)c3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001470774641 1072730692 /nfs/dbraw/zinc/73/06/92/1072730692.db2.gz BBVSHFTUFAZXEE-ZRZAMGCNSA-N 1 0 395.453 3.821 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001478964894 1079042722 /nfs/dbraw/zinc/04/27/22/1079042722.db2.gz ZAAFQNAFCJTGTQ-SFTDATJTSA-N 1 0 377.573 3.655 20 30 GHEDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C)n1-c1ccc(C#N)cc1 ZINC001472350065 1073438954 /nfs/dbraw/zinc/43/89/54/1073438954.db2.gz OFFBXARZPRQAFD-JAXLGGSGSA-N 1 0 390.531 3.768 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC001479105338 1079105547 /nfs/dbraw/zinc/10/55/47/1079105547.db2.gz VKZKDPINCFUJPT-FGSXEWAUSA-N 1 0 376.504 3.687 20 30 GHEDRO N#Cc1cnc(N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001472721446 1073635261 /nfs/dbraw/zinc/63/52/61/1073635261.db2.gz IZZVKUOLIXUATL-UHFFFAOYSA-N 1 0 391.475 3.887 20 30 GHEDRO N#Cc1cc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001472906112 1073721478 /nfs/dbraw/zinc/72/14/78/1073721478.db2.gz XJVRCBRUOBOYOJ-LJQANCHMSA-N 1 0 393.834 3.819 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CCc3cccc4c3OC(F)(F)O4)CC2)c1 ZINC001473155383 1073814407 /nfs/dbraw/zinc/81/44/07/1073814407.db2.gz ZCBDCKMXOGMBPW-UHFFFAOYSA-N 1 0 386.398 3.966 20 30 GHEDRO Cc1ccc(N2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)[C@H](C)C2)cc1C ZINC001473204478 1073856215 /nfs/dbraw/zinc/85/62/15/1073856215.db2.gz SDYXJXXFNPHAQB-LJQANCHMSA-N 1 0 376.504 3.714 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001473462567 1073977486 /nfs/dbraw/zinc/97/74/86/1073977486.db2.gz HGXJNZOQDFPXOY-INIZCTEOSA-N 1 0 388.581 3.633 20 30 GHEDRO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCOCc3ccc(C#N)cc3)C2=O)cc1 ZINC001473517551 1073997615 /nfs/dbraw/zinc/99/76/15/1073997615.db2.gz OWNUWIRPXUXSQG-JOCHJYFZSA-N 1 0 377.488 3.511 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC001473522697 1073999996 /nfs/dbraw/zinc/99/99/96/1073999996.db2.gz FUZRQZVYXGUZPB-IBGZPJMESA-N 1 0 393.462 3.798 20 30 GHEDRO O=C(C[N@@H+]1CC[C@H](C2CCCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001473566783 1074019505 /nfs/dbraw/zinc/01/95/05/1074019505.db2.gz DGXUCNFPJMLRDC-SFHVURJKSA-N 1 0 378.438 3.685 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCCO2 ZINC001473663718 1074073444 /nfs/dbraw/zinc/07/34/44/1074073444.db2.gz LJYJFXMSAGHPBE-IERDGZPVSA-N 1 0 375.472 3.729 20 30 GHEDRO CCCCN(CC(=O)Nc1sccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683049 1074084653 /nfs/dbraw/zinc/08/46/53/1074084653.db2.gz IGYQKLWCZJHTHH-UHFFFAOYSA-N 1 0 376.570 3.970 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2Cl)CC1 ZINC001473723363 1074107902 /nfs/dbraw/zinc/10/79/02/1074107902.db2.gz CJKAPPKYGJHFHX-FQEVSTJZSA-N 1 0 384.907 3.906 20 30 GHEDRO Cc1ccc([C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2(C)C)cc1 ZINC001473751648 1074122822 /nfs/dbraw/zinc/12/28/22/1074122822.db2.gz QHYUJSNSWRVCLN-NRFANRHFSA-N 1 0 382.529 3.909 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]CCCc1cc2c(cc(OC)cc2OC)[nH]1 ZINC001474065736 1074252477 /nfs/dbraw/zinc/25/24/77/1074252477.db2.gz HDKIBMZBBVTLHC-UHFFFAOYSA-N 1 0 378.472 3.920 20 30 GHEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl ZINC001474157501 1074278820 /nfs/dbraw/zinc/27/88/20/1074278820.db2.gz LJSYGHHKIVCEJJ-AWEZNQCLSA-N 1 0 386.710 3.674 20 30 GHEDRO COc1cc(C[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)ccc1C#N ZINC001474201051 1074291257 /nfs/dbraw/zinc/29/12/57/1074291257.db2.gz YLOCXBPWWAGCCH-QHCPKHFHSA-N 1 0 380.488 3.956 20 30 GHEDRO Fc1cc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1OCC(F)(F)F ZINC001474264877 1074316707 /nfs/dbraw/zinc/31/67/07/1074316707.db2.gz GJVJTNBMMMSRLB-GXFFZTMASA-N 1 0 375.284 3.966 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(Br)ccc2Br)CCOCC1 ZINC001474271984 1074320377 /nfs/dbraw/zinc/32/03/77/1074320377.db2.gz MLJUJPWVZFMBFM-UHFFFAOYSA-N 1 0 387.115 3.874 20 30 GHEDRO COc1cc(C[N@H+](C)CCOc2ccc(Br)cc2)ccc1C#N ZINC001474397603 1074385233 /nfs/dbraw/zinc/38/52/33/1074385233.db2.gz VSDPGSUSNZPQED-UHFFFAOYSA-N 1 0 375.266 3.840 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493700305 1079288237 /nfs/dbraw/zinc/28/82/37/1079288237.db2.gz XZIAJYOJBQVGQO-KZNAEPCWSA-N 1 0 398.530 3.943 20 30 GHEDRO C[C@H]1CCC[N@H+](CCn2c(N(C)Cc3cccc(C#N)c3)nnc2C(C)(C)C)C1 ZINC001493808344 1079299612 /nfs/dbraw/zinc/29/96/12/1079299612.db2.gz JHKUFHZMTIJVSU-SFHVURJKSA-N 1 0 394.567 3.816 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001493846804 1079303467 /nfs/dbraw/zinc/30/34/67/1079303467.db2.gz XVOXVOXQFFODDK-AVRDEDQJSA-N 1 0 378.524 3.559 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001493919681 1079308616 /nfs/dbraw/zinc/30/86/16/1079308616.db2.gz DCIILLDMOMAJET-RBUKOAKNSA-N 1 0 392.551 3.785 20 30 GHEDRO CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001493920679 1079308861 /nfs/dbraw/zinc/30/88/61/1079308861.db2.gz MFFIADZHRTWTBG-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054188 1079320557 /nfs/dbraw/zinc/32/05/57/1079320557.db2.gz CRYJWZZKFQETNP-IBGZPJMESA-N 1 0 392.551 3.927 20 30 GHEDRO CC1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001494083220 1079320959 /nfs/dbraw/zinc/32/09/59/1079320959.db2.gz XFUNZXAFLHVLLK-JOCHJYFZSA-N 1 0 386.588 3.729 20 30 GHEDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001475955957 1075056916 /nfs/dbraw/zinc/05/69/16/1075056916.db2.gz YRSFMSKYEJKXTQ-INIZCTEOSA-N 1 0 381.480 3.987 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC001476150451 1075095989 /nfs/dbraw/zinc/09/59/89/1075095989.db2.gz IOMODZDAQGLQTR-OAQYLSRUSA-N 1 0 377.488 3.875 20 30 GHEDRO CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001497777806 1079511407 /nfs/dbraw/zinc/51/14/07/1079511407.db2.gz JLFUUZMHJAJVLU-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001500831095 1079617091 /nfs/dbraw/zinc/61/70/91/1079617091.db2.gz FQMUSBUVHKGCKI-QGZVFWFLSA-N 1 0 380.540 3.926 20 30 GHEDRO CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001501460210 1079626406 /nfs/dbraw/zinc/62/64/06/1079626406.db2.gz RMPSRGSWUJIYTP-VGOFRKELSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736788894 600593167 /nfs/dbraw/zinc/59/31/67/600593167.db2.gz HTLIMUHTYOFSFH-HTAPYJJXSA-N 1 0 377.488 3.848 20 30 GHEDRO CCCc1cc(C#N)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164724699 720397122 /nfs/dbraw/zinc/39/71/22/720397122.db2.gz KWTQQDLOAKJIKC-OALUTQOASA-N 1 0 381.911 3.807 20 30 GHEDRO Cc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(C#C[Si](C)(C)C)c1 ZINC001164730212 720418312 /nfs/dbraw/zinc/41/83/12/720418312.db2.gz IPENFUPEDZHWAK-FGZHOGPDSA-N 1 0 390.607 3.867 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726356 720444612 /nfs/dbraw/zinc/44/46/12/720444612.db2.gz BTOASTINUCTJJQ-UXHICEINSA-N 1 0 387.512 3.930 20 30 GHEDRO Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1C#N ZINC001164841890 720700911 /nfs/dbraw/zinc/70/09/11/720700911.db2.gz JWXSSIJGTYNOCW-OAQYLSRUSA-N 1 0 376.504 3.522 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3C#N)C[C@H]21 ZINC001165025455 721819930 /nfs/dbraw/zinc/81/99/30/721819930.db2.gz MURYFBXRGBJDIW-CWFSZBLJSA-N 1 0 381.911 3.739 20 30 GHEDRO C#C[C@H]1CCCCN1C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000892637326 837418069 /nfs/dbraw/zinc/41/80/69/837418069.db2.gz NDKKLKZJFNLBJY-NRFANRHFSA-N 1 0 392.503 3.503 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3sc(Cl)cc32)c1 ZINC000580947508 837434122 /nfs/dbraw/zinc/43/41/22/837434122.db2.gz DLBCQLODEOFQHS-HNNXBMFYSA-N 1 0 380.922 3.714 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000176555937 837437680 /nfs/dbraw/zinc/43/76/80/837437680.db2.gz PQVGXXQCUVWIHG-UHFFFAOYSA-N 1 0 391.422 3.535 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581044566 837464825 /nfs/dbraw/zinc/46/48/25/837464825.db2.gz NSOLFSVUCWLUIO-ZWKOTPCHSA-N 1 0 386.421 3.930 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2)CC1 ZINC000180774515 837535235 /nfs/dbraw/zinc/53/52/35/837535235.db2.gz QXAJJKOUXIBYNY-LJQANCHMSA-N 1 0 387.487 3.583 20 30 GHEDRO CCC[C@]1(CO)CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000581631245 837555411 /nfs/dbraw/zinc/55/54/11/837555411.db2.gz SPHUMNYUCHCUGH-BTYIYWSLSA-N 1 0 389.565 3.700 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000180968495 837748983 /nfs/dbraw/zinc/74/89/83/837748983.db2.gz VDGFJOJSLBDWHB-YOEHRIQHSA-N 1 0 394.393 3.590 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c1C#N ZINC000133646639 834520138 /nfs/dbraw/zinc/52/01/38/834520138.db2.gz HQFAKUXCEASAFQ-LBPRGKRZSA-N 1 0 393.413 3.584 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000480321443 834563737 /nfs/dbraw/zinc/56/37/37/834563737.db2.gz VSWCEKLIRRNIBX-QHCPKHFHSA-N 1 0 392.547 3.899 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1OC(F)(F)F ZINC000583544092 834610878 /nfs/dbraw/zinc/61/08/78/834610878.db2.gz NDRHMSHVGMBQRL-MRXNPFEDSA-N 1 0 396.413 3.939 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(Cl)cc2)c(OC)c1 ZINC000301312890 834622860 /nfs/dbraw/zinc/62/28/60/834622860.db2.gz ACMASSOWZDLTDS-LJQANCHMSA-N 1 0 375.896 3.949 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C1(C(=O)NCCC)CCCCC1 ZINC000177120248 837791228 /nfs/dbraw/zinc/79/12/28/837791228.db2.gz PZSATAPEYJKUTK-UHFFFAOYSA-N 1 0 389.565 3.722 20 30 GHEDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC000176925825 837801813 /nfs/dbraw/zinc/80/18/13/837801813.db2.gz FTNXTVASVFFOER-UHFFFAOYSA-N 1 0 386.455 3.846 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458619262 834780181 /nfs/dbraw/zinc/78/01/81/834780181.db2.gz NSJAJAVEHCGEFF-YOEHRIQHSA-N 1 0 380.895 3.711 20 30 GHEDRO C#Cc1cccc(N(CC)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000728572976 834825992 /nfs/dbraw/zinc/82/59/92/834825992.db2.gz HCIHHGULPRHSIG-UHFFFAOYSA-N 1 0 393.556 3.682 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458629913 834832327 /nfs/dbraw/zinc/83/23/27/834832327.db2.gz XROPJLQRCZMTHU-YOEHRIQHSA-N 1 0 380.895 3.663 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000246300618 834859293 /nfs/dbraw/zinc/85/92/93/834859293.db2.gz FGQKSBJIAKFXAM-IRXDYDNUSA-N 1 0 388.943 3.737 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccco1 ZINC000164701357 834865088 /nfs/dbraw/zinc/86/50/88/834865088.db2.gz XKWCSZFCJWLNJH-UHFFFAOYSA-N 1 0 387.505 3.569 20 30 GHEDRO Cc1noc2ncc(C(=O)NCC3([N@@H+]4CCOC(C)(C)C4)CCCCC3)cc12 ZINC000329372790 834931983 /nfs/dbraw/zinc/93/19/83/834931983.db2.gz KKTAUXJVPJGKMW-UHFFFAOYSA-N 1 0 386.496 3.650 20 30 GHEDRO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000056216178 835052617 /nfs/dbraw/zinc/05/26/17/835052617.db2.gz AOYWZRRSCRTPPV-LJQANCHMSA-N 1 0 382.552 3.858 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000157765956 835083052 /nfs/dbraw/zinc/08/30/52/835083052.db2.gz NETRTANNNPDVKV-LJQANCHMSA-N 1 0 383.536 3.635 20 30 GHEDRO C=C(C)C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1cnn(C(C)C)c1 ZINC000512506526 844031457 /nfs/dbraw/zinc/03/14/57/844031457.db2.gz MZBIKRXQRZKRIV-UHFFFAOYSA-N 1 0 383.496 3.581 20 30 GHEDRO CC1(C)CCCc2sc(NC(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)nc21 ZINC000329545302 835216965 /nfs/dbraw/zinc/21/69/65/835216965.db2.gz ZJFPVGARBRFSTJ-CQSZACIVSA-N 1 0 392.569 3.584 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)ccc1Cl ZINC000248158626 835437584 /nfs/dbraw/zinc/43/75/84/835437584.db2.gz RTFOGOIHPDGVEJ-LAUBAEHRSA-N 1 0 389.927 3.522 20 30 GHEDRO Cc1cnccc1OC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000278589737 835487325 /nfs/dbraw/zinc/48/73/25/835487325.db2.gz DTICVTCEUYFCSA-UHFFFAOYSA-N 1 0 387.487 3.706 20 30 GHEDRO N#CCCn1cc(CNC2CC[NH+](CC3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000278592963 835495149 /nfs/dbraw/zinc/49/51/49/835495149.db2.gz HDCJTBFWCSKTMV-UHFFFAOYSA-N 1 0 392.551 3.603 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000647379795 835530838 /nfs/dbraw/zinc/53/08/38/835530838.db2.gz OCPCMKUANGHJAF-GOSISDBHSA-N 1 0 394.548 3.607 20 30 GHEDRO COc1cccc(CC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000612123439 835558094 /nfs/dbraw/zinc/55/80/94/835558094.db2.gz ZQJSTHKRRBCRHT-GOSISDBHSA-N 1 0 383.536 3.681 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2cccc(C)c2)s1 ZINC000134217596 835706249 /nfs/dbraw/zinc/70/62/49/835706249.db2.gz VKTPRYIVTRCPSR-MRXNPFEDSA-O 1 0 389.566 3.750 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000179487255 835740851 /nfs/dbraw/zinc/74/08/51/835740851.db2.gz PXPFWRUIXZHVQR-UHFFFAOYSA-N 1 0 388.581 3.555 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000278670725 835742163 /nfs/dbraw/zinc/74/21/63/835742163.db2.gz GBEYCNDXXKQVFZ-OHDICMOHSA-N 1 0 380.891 3.569 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000162134750 835853505 /nfs/dbraw/zinc/85/35/05/835853505.db2.gz FEXZANQBXFLNAF-FQEVSTJZSA-N 1 0 386.540 3.631 20 30 GHEDRO C=CCN(CC[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1)C(=O)OCC ZINC001209023696 835857718 /nfs/dbraw/zinc/85/77/18/835857718.db2.gz MBTHQGCALANCEV-UHFFFAOYSA-N 1 0 396.535 3.911 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(OCC(F)F)c2)c(-c2ccncc2)n1 ZINC000278724493 835890828 /nfs/dbraw/zinc/89/08/28/835890828.db2.gz TYTDPJFSECNRJV-UHFFFAOYSA-N 1 0 397.429 3.792 20 30 GHEDRO CO[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccc(Cl)c1 ZINC000278748346 835955302 /nfs/dbraw/zinc/95/53/02/835955302.db2.gz WDJBRNXQSDJYGV-FQEVSTJZSA-N 1 0 395.894 3.989 20 30 GHEDRO CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000413659565 836021434 /nfs/dbraw/zinc/02/14/34/836021434.db2.gz SWDJSFAUMIRDKD-QFIPXVFZSA-N 1 0 376.504 3.927 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cc1 ZINC000177155456 836085143 /nfs/dbraw/zinc/08/51/43/836085143.db2.gz NMHLBMAGDGVVMO-NRFANRHFSA-N 1 0 389.455 3.716 20 30 GHEDRO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000513033124 844143279 /nfs/dbraw/zinc/14/32/79/844143279.db2.gz RPUMNKCLNMSUGG-YVWKXTFCSA-N 1 0 375.463 3.732 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065936462 836254478 /nfs/dbraw/zinc/25/44/78/836254478.db2.gz XBLMIPIWZIMENC-INIZCTEOSA-N 1 0 385.895 3.569 20 30 GHEDRO CC(C)[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1cccnc1 ZINC000177290105 836261971 /nfs/dbraw/zinc/26/19/71/836261971.db2.gz KTQYKOOJWMLPSH-QGZVFWFLSA-N 1 0 380.414 3.824 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613389755 836270304 /nfs/dbraw/zinc/27/03/04/836270304.db2.gz NAQGUUBLUZPAEP-HLIPFELVSA-N 1 0 397.544 3.774 20 30 GHEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000180145887 836362046 /nfs/dbraw/zinc/36/20/46/836362046.db2.gz RNSSKJDLASFKSU-QFIPXVFZSA-N 1 0 399.498 3.586 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1ccc(C#N)cc1 ZINC000548937060 836365802 /nfs/dbraw/zinc/36/58/02/836365802.db2.gz SHXZRNOVCCJMJU-LBPRGKRZSA-N 1 0 392.322 3.691 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000413812555 836399209 /nfs/dbraw/zinc/39/92/09/836399209.db2.gz BYZCCTXXRONKEI-QHCPKHFHSA-N 1 0 390.531 3.819 20 30 GHEDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000414178867 836406751 /nfs/dbraw/zinc/40/67/51/836406751.db2.gz JUNVXMJTUGKRPX-VBHSOAQHSA-N 1 0 375.538 3.619 20 30 GHEDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000414178854 836407033 /nfs/dbraw/zinc/40/70/33/836407033.db2.gz JUNVXMJTUGKRPX-JCGVRSQUSA-N 1 0 375.538 3.619 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2CC[C@@]23CC[NH2+]C3)c(Br)c1 ZINC001218113504 836417956 /nfs/dbraw/zinc/41/79/56/836417956.db2.gz AKGSXUCXCWXWFF-JSGCOSHPSA-N 1 0 386.087 3.604 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000413842115 836490905 /nfs/dbraw/zinc/49/09/05/836490905.db2.gz XWOKIBJLJQTERV-VABKMULXSA-N 1 0 392.547 3.903 20 30 GHEDRO N#CC1(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)CCCCC1 ZINC000170643611 836526256 /nfs/dbraw/zinc/52/62/56/836526256.db2.gz ZMQYYKOVDYSLDG-UHFFFAOYSA-N 1 0 390.325 3.761 20 30 GHEDRO C[NH+](C)CCc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 ZINC001167689639 836528804 /nfs/dbraw/zinc/52/88/04/836528804.db2.gz IHOHEWXZYDGFRU-SFHVURJKSA-N 1 0 386.293 3.548 20 30 GHEDRO C[C@@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2cccs2)o1 ZINC000748098016 836545195 /nfs/dbraw/zinc/54/51/95/836545195.db2.gz VSDNYWUSODSZEF-CQSZACIVSA-N 1 0 384.461 3.746 20 30 GHEDRO Cn1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc21 ZINC000582642799 836559644 /nfs/dbraw/zinc/55/96/44/836559644.db2.gz XKKOPIVNKMQRTE-UHFFFAOYSA-N 1 0 390.462 3.537 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1 ZINC001209443991 836576678 /nfs/dbraw/zinc/57/66/78/836576678.db2.gz JJKDRZHMYMYHGT-VXKWHMMOSA-N 1 0 377.573 3.985 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000247104023 836823195 /nfs/dbraw/zinc/82/31/95/836823195.db2.gz KSPPMVYAJYTXHF-REWPJTCUSA-N 1 0 389.499 3.694 20 30 GHEDRO Cc1cc(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)nn1CCC#N ZINC000275460022 837076930 /nfs/dbraw/zinc/07/69/30/837076930.db2.gz BOFUKPHXXDWDEC-UHFFFAOYSA-N 1 0 396.495 3.614 20 30 GHEDRO Cc1cccc(-c2noc([C@@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)c1Cl ZINC001211641036 837078487 /nfs/dbraw/zinc/07/84/87/837078487.db2.gz VVICTKKBWFOIPH-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO CCOC(=O)Nc1ccc(NC2CC[NH+](CCC(F)(F)F)CC2)cc1C#N ZINC000180321187 837085919 /nfs/dbraw/zinc/08/59/19/837085919.db2.gz XTYDMDHGNBLFIT-UHFFFAOYSA-N 1 0 384.402 3.955 20 30 GHEDRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000177742716 837107816 /nfs/dbraw/zinc/10/78/16/837107816.db2.gz RGYRVAJCPTZXJB-WVBUVRCRSA-N 1 0 387.524 3.655 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCC2)c1 ZINC000175995894 837120472 /nfs/dbraw/zinc/12/04/72/837120472.db2.gz GEPDBXHXURUTNU-OAQYLSRUSA-N 1 0 395.528 3.878 20 30 GHEDRO CN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000376168867 837132789 /nfs/dbraw/zinc/13/27/89/837132789.db2.gz YPGCXTDLEJXOTN-RPWUZVMVSA-N 1 0 392.522 3.697 20 30 GHEDRO C=CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000548979189 837135530 /nfs/dbraw/zinc/13/55/30/837135530.db2.gz NODMRVYDKBKEHU-ZCTYVAAUSA-N 1 0 382.957 3.749 20 30 GHEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000181156725 837858082 /nfs/dbraw/zinc/85/80/82/837858082.db2.gz DYHWGEWMOJVLCS-QGZVFWFLSA-N 1 0 376.460 3.600 20 30 GHEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCOc1ccc(C#N)cc1 ZINC000181155371 837858101 /nfs/dbraw/zinc/85/81/01/837858101.db2.gz XIEBAZOYPXFHST-MRXNPFEDSA-N 1 0 385.895 3.617 20 30 GHEDRO CC#CCCCC(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000415613167 837876599 /nfs/dbraw/zinc/87/65/99/837876599.db2.gz MSLHQLAVZAPTQW-UHFFFAOYSA-N 1 0 394.357 3.959 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000177328425 837894306 /nfs/dbraw/zinc/89/43/06/837894306.db2.gz LKVYEZQSNNWSCV-UHFFFAOYSA-N 1 0 384.524 3.977 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000728711546 837905514 /nfs/dbraw/zinc/90/55/14/837905514.db2.gz DYHAMQWEYXAOFK-ACJLOTCBSA-N 1 0 380.366 3.699 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000549329986 837931738 /nfs/dbraw/zinc/93/17/38/837931738.db2.gz WERFBVGIKLJCOP-UHFFFAOYSA-N 1 0 378.476 3.842 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)o2)cc1 ZINC000377762692 837938634 /nfs/dbraw/zinc/93/86/34/837938634.db2.gz DLCLIJDVUOYFFQ-YADHBBJMSA-N 1 0 399.498 3.562 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000177481772 837963159 /nfs/dbraw/zinc/96/31/59/837963159.db2.gz VLHMQYHXIKZFNH-LEWJYISDSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+](Cc1ccccn1)C1CC1)CCCC2 ZINC000177508801 837967039 /nfs/dbraw/zinc/96/70/39/837967039.db2.gz HAZBTWFQSXSNFJ-UHFFFAOYSA-N 1 0 380.517 3.887 20 30 GHEDRO C[C@@H](O)[C@@](C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000188902952 837980496 /nfs/dbraw/zinc/98/04/96/837980496.db2.gz RBUQYITZTKULLZ-CJFMBICVSA-N 1 0 391.559 3.742 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415805425 838132413 /nfs/dbraw/zinc/13/24/13/838132413.db2.gz NGWAJXKOZLFAHW-GXTWGEPZSA-N 1 0 382.302 3.653 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460782232 838184662 /nfs/dbraw/zinc/18/46/62/838184662.db2.gz AKRIZBORKRTMQN-UHFFFAOYSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1)C(C)C ZINC000177946575 838244555 /nfs/dbraw/zinc/24/45/55/838244555.db2.gz PEKKRLMENRBNHN-HXUWFJFHSA-N 1 0 386.540 3.517 20 30 GHEDRO C=CCc1cc(CNC(=O)Nc2cccc(C[NH2+]CC)c2)cc(OC)c1OC ZINC000415906957 838260704 /nfs/dbraw/zinc/26/07/04/838260704.db2.gz LUGHGKLDHUWJIC-UHFFFAOYSA-N 1 0 383.492 3.864 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000378062986 838355648 /nfs/dbraw/zinc/35/56/48/838355648.db2.gz VOTLJOXYNFDUMM-VGOFRKELSA-N 1 0 377.488 3.588 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)c1 ZINC000189748090 838392960 /nfs/dbraw/zinc/39/29/60/838392960.db2.gz NHRZSKLZKYKCOC-UHFFFAOYSA-N 1 0 390.462 3.986 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CCCn1ccnc1C ZINC000187924987 838405192 /nfs/dbraw/zinc/40/51/92/838405192.db2.gz IWGPOLXLNMTSKY-UHFFFAOYSA-N 1 0 382.508 3.531 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000123254686 838458454 /nfs/dbraw/zinc/45/84/54/838458454.db2.gz PGKAZYPDHMPRRO-FQEVSTJZSA-N 1 0 381.451 3.793 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472636077 838509857 /nfs/dbraw/zinc/50/98/57/838509857.db2.gz HIQMFDJRALASIX-HSZRJFAPSA-N 1 0 375.472 3.857 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000190004281 838531162 /nfs/dbraw/zinc/53/11/62/838531162.db2.gz YTDBDNBYVOIWAY-BEFAXECRSA-N 1 0 394.357 3.547 20 30 GHEDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000610344773 838574258 /nfs/dbraw/zinc/57/42/58/838574258.db2.gz HSQFAJZZPZRAHX-SJORKVTESA-N 1 0 395.503 3.663 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549398822 838579255 /nfs/dbraw/zinc/57/92/55/838579255.db2.gz IKZOBBUGCWXTOV-ICSRJNTNSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc4ccccc4n3CC#N)c2)CC1 ZINC000613689799 838638296 /nfs/dbraw/zinc/63/82/96/838638296.db2.gz ZWEVFDOQCRQTJQ-UHFFFAOYSA-N 1 0 387.487 3.559 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000181517378 838667524 /nfs/dbraw/zinc/66/75/24/838667524.db2.gz JULGPIILTRGSGE-UHFFFAOYSA-N 1 0 378.245 3.802 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)C2)n1 ZINC000328695068 838673553 /nfs/dbraw/zinc/67/35/53/838673553.db2.gz GICCZRHNORDBLP-VAMGGRTRSA-N 1 0 398.551 3.871 20 30 GHEDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000549119615 838677172 /nfs/dbraw/zinc/67/71/72/838677172.db2.gz JDZCXMPWBVHAQB-LLBUTXAOSA-N 1 0 399.560 3.763 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000610370729 838737466 /nfs/dbraw/zinc/73/74/66/838737466.db2.gz VGVGAJQAUQBYLX-VQTJNVASSA-N 1 0 382.529 3.607 20 30 GHEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)c1 ZINC000118867923 838745018 /nfs/dbraw/zinc/74/50/18/838745018.db2.gz WEMRDOZWDHIYFF-JOCHJYFZSA-N 1 0 376.504 3.836 20 30 GHEDRO Cc1ccc(OCCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)c1 ZINC001125870812 838761499 /nfs/dbraw/zinc/76/14/99/838761499.db2.gz NEHVLHDACAZJOQ-UHFFFAOYSA-N 1 0 393.531 3.925 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376971431 838880534 /nfs/dbraw/zinc/88/05/34/838880534.db2.gz JPVPYQCHDMGRNR-UHFFFAOYSA-N 1 0 382.426 3.787 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@H]2CCOC2)C2CC2)sc2c1CCCCC2 ZINC000046092597 838917788 /nfs/dbraw/zinc/91/77/88/838917788.db2.gz OPFZPXHOEOGPSF-OAHLLOKOSA-N 1 0 387.549 3.718 20 30 GHEDRO Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@@]34CCOc3ccccc34)CC2)nc(C)n1 ZINC000330196254 838957692 /nfs/dbraw/zinc/95/76/92/838957692.db2.gz PZDCDZACZNTGRP-WMZHIEFXSA-N 1 0 392.503 3.759 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)CNc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000050024653 839019922 /nfs/dbraw/zinc/01/99/22/839019922.db2.gz VYXLMDCHSMHEOA-LJQANCHMSA-N 1 0 382.533 3.621 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000378409129 839050035 /nfs/dbraw/zinc/05/00/35/839050035.db2.gz LKQSBCAGGIAYEU-GOSISDBHSA-N 1 0 385.899 3.629 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000610400164 839057070 /nfs/dbraw/zinc/05/70/70/839057070.db2.gz FYFHHKWSGBWKGA-UTKZUKDTSA-N 1 0 392.503 3.764 20 30 GHEDRO CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)[C@H](C[NH3+])C1 ZINC000415026408 839078140 /nfs/dbraw/zinc/07/81/40/839078140.db2.gz UGEGQZFOXWSBLE-PKOBYXMFSA-N 1 0 394.475 3.629 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)Nc1ccc(C)cc1C ZINC000172580153 839110162 /nfs/dbraw/zinc/11/01/62/839110162.db2.gz PZPDMAUDZRBIOT-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000067247504 844401877 /nfs/dbraw/zinc/40/18/77/844401877.db2.gz FCVDYOPOYRLBBF-UHFFFAOYSA-N 1 0 392.547 3.535 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC)[NH+]2CCCC2)cc1 ZINC000050092274 839158080 /nfs/dbraw/zinc/15/80/80/839158080.db2.gz NETGATNNIBGVED-FQEVSTJZSA-N 1 0 394.475 3.534 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@](C)(C[NH3+])C(C)C)cc1 ZINC000415077049 839166632 /nfs/dbraw/zinc/16/66/32/839166632.db2.gz DLGWMLYXGLXEOG-OAQYLSRUSA-N 1 0 382.464 3.854 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCC ZINC000415134920 839251445 /nfs/dbraw/zinc/25/14/45/839251445.db2.gz WKZQIMXMSVQWRZ-GOEBONIOSA-N 1 0 397.357 3.829 20 30 GHEDRO CC(C)OCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000565745676 839313453 /nfs/dbraw/zinc/31/34/53/839313453.db2.gz MMTNKCSSURNLJI-UHFFFAOYSA-N 1 0 377.554 3.964 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000614400821 844430827 /nfs/dbraw/zinc/43/08/27/844430827.db2.gz HJYOVHNTWSYLLN-QGZVFWFLSA-N 1 0 378.394 3.757 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549238165 839449401 /nfs/dbraw/zinc/44/94/01/839449401.db2.gz IWRYNOHTAXXHRZ-OAQYLSRUSA-N 1 0 392.503 3.989 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460964661 839918068 /nfs/dbraw/zinc/91/80/68/839918068.db2.gz VNSVKIBHZDRVNC-IBGZPJMESA-N 1 0 379.552 3.908 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000537409047 839948437 /nfs/dbraw/zinc/94/84/37/839948437.db2.gz YUFADDSTNUQKKK-LLVKDONJSA-N 1 0 376.229 3.749 20 30 GHEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000160606422 840034911 /nfs/dbraw/zinc/03/49/11/840034911.db2.gz MFNCYKAWSYHWDP-HNNXBMFYSA-N 1 0 384.377 3.754 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000416946231 840302205 /nfs/dbraw/zinc/30/22/05/840302205.db2.gz NWBXSHNBZSGDJQ-IEBWSBKVSA-N 1 0 393.453 3.621 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000934012114 844526114 /nfs/dbraw/zinc/52/61/14/844526114.db2.gz SZKHVUSZTGHTHM-DOTOQJQBSA-N 1 0 375.538 3.550 20 30 GHEDRO [NH2+]=C(NCc1ccccc1-n1ccnc1)Nc1ccccc1OC(F)(F)F ZINC000160683927 840406713 /nfs/dbraw/zinc/40/67/13/840406713.db2.gz KIAZFXAFKZWHGO-UHFFFAOYSA-N 1 0 375.354 3.698 20 30 GHEDRO COc1cc(Br)c(C[NH2+]CCc2cccc(C#N)c2)c(OC)c1 ZINC000466420892 844539646 /nfs/dbraw/zinc/53/96/46/844539646.db2.gz AFEUSXMOVSCSLI-UHFFFAOYSA-N 1 0 375.266 3.670 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000500424791 840474197 /nfs/dbraw/zinc/47/41/97/840474197.db2.gz MMTRIKCEQSSAGG-NRFANRHFSA-N 1 0 396.579 3.889 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000511703031 840533589 /nfs/dbraw/zinc/53/35/89/840533589.db2.gz NWCWMBZYNYOXJO-QFIPXVFZSA-N 1 0 375.516 3.908 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000580964999 840534405 /nfs/dbraw/zinc/53/44/05/840534405.db2.gz QYKNSASAYUZVJR-RHSMWYFYSA-N 1 0 390.471 3.584 20 30 GHEDRO Cc1cccn2cc(CCNC(=[NH2+])Nc3ccccc3OC(F)(F)F)nc12 ZINC000160715816 840554334 /nfs/dbraw/zinc/55/43/34/840554334.db2.gz JOHSXBBFUCDEBY-UHFFFAOYSA-N 1 0 377.370 3.511 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3cc(OCc4ccccc4)ncn3)CC2)cc1 ZINC000581118323 840733190 /nfs/dbraw/zinc/73/31/90/840733190.db2.gz MQYPYHNZBRRPLI-UHFFFAOYSA-N 1 0 399.498 3.640 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccc1S(C)(=O)=O ZINC000417360023 840766558 /nfs/dbraw/zinc/76/65/58/840766558.db2.gz HFBCZDJQBFCDCY-IFXJQAMLSA-N 1 0 384.501 3.699 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417374729 840772653 /nfs/dbraw/zinc/77/26/53/840772653.db2.gz YNLMTQMCUWHMMQ-YCRPNKLZSA-N 1 0 391.471 3.729 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417378325 840790547 /nfs/dbraw/zinc/79/05/47/840790547.db2.gz FCEPMQNUZBRJOR-YWZLYKJASA-N 1 0 393.487 3.960 20 30 GHEDRO C[C@H](C[N@@H+]([C@@H](C)CO)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000581209522 840853514 /nfs/dbraw/zinc/85/35/14/840853514.db2.gz WABZVGMASZRYNW-SELNLUPBSA-N 1 0 391.515 3.540 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000512566120 844593192 /nfs/dbraw/zinc/59/31/92/844593192.db2.gz VCRCPOOMKZMPPH-QZTJIDSGSA-N 1 0 383.511 3.842 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]C2CCN(CC#N)CC2)c2ccc(OC)cc2)cc1 ZINC000610813081 844610042 /nfs/dbraw/zinc/61/00/42/844610042.db2.gz YMBLTSMUNPDHFA-HSZRJFAPSA-N 1 0 379.504 3.565 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000660296603 841235148 /nfs/dbraw/zinc/23/51/48/841235148.db2.gz QKJLQDAAAHZKJB-QHCPKHFHSA-N 1 0 387.527 3.640 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1Cl ZINC000125136329 841322395 /nfs/dbraw/zinc/32/23/95/841322395.db2.gz FIFWFEQQEMZXHB-UHFFFAOYSA-N 1 0 381.907 3.992 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC001167461374 841381561 /nfs/dbraw/zinc/38/15/61/841381561.db2.gz GJNUODRAUHFJEE-JOCHJYFZSA-N 1 0 394.515 3.978 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000661119070 841414797 /nfs/dbraw/zinc/41/47/97/841414797.db2.gz BQMLZQJKXZCCEN-BDTNDASRSA-N 1 0 397.563 3.569 20 30 GHEDRO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000328795539 841477041 /nfs/dbraw/zinc/47/70/41/841477041.db2.gz CINJYYVAKYNPQA-MOPGFXCFSA-N 1 0 377.916 3.834 20 30 GHEDRO Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000329259487 861211358 /nfs/dbraw/zinc/21/13/58/861211358.db2.gz FKYNNJBRHGNERS-HNNXBMFYSA-N 1 0 387.915 3.533 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)c1 ZINC001167467300 841578882 /nfs/dbraw/zinc/57/88/82/841578882.db2.gz GVJVGFIZJSREEU-HKUYNNGSSA-N 1 0 375.472 3.502 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000329271301 861230424 /nfs/dbraw/zinc/23/04/24/861230424.db2.gz IAAAIUNHPABXBA-MNLRITNHSA-N 1 0 397.519 3.848 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)cc2)CC1 ZINC000594944209 841806822 /nfs/dbraw/zinc/80/68/22/841806822.db2.gz RMTXMMXFDQFSCF-IBGZPJMESA-N 1 0 383.854 3.929 20 30 GHEDRO C=CC[C@]1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CCC[NH2+]1 ZINC000662862317 841818740 /nfs/dbraw/zinc/81/87/40/841818740.db2.gz KHWRBOBMMCFEGO-LJQANCHMSA-N 1 0 388.309 3.513 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C[NH+]1CCCCC1 ZINC000603831172 861244260 /nfs/dbraw/zinc/24/42/60/861244260.db2.gz SIJCVCXHSLAFKD-KRWDZBQOSA-N 1 0 393.491 3.989 20 30 GHEDRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH+]3CCC(C)(C#N)CC3)o2)CC1 ZINC000893472195 841938060 /nfs/dbraw/zinc/93/80/60/841938060.db2.gz YZNWSRLRTCMNGC-UHFFFAOYSA-N 1 0 387.524 3.963 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623641670 861267291 /nfs/dbraw/zinc/26/72/91/861267291.db2.gz UTFDHTCPANXLPN-OAQYLSRUSA-N 1 0 379.504 3.517 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000481394393 861269288 /nfs/dbraw/zinc/26/92/88/861269288.db2.gz VLLXDANGNJTCEI-KXBFYZLASA-N 1 0 377.916 3.690 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000559010358 842099082 /nfs/dbraw/zinc/09/90/82/842099082.db2.gz JLLBXCNFECYJIX-UHFFFAOYSA-N 1 0 397.548 3.849 20 30 GHEDRO C=CCCC1(CNC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000669184905 842115435 /nfs/dbraw/zinc/11/54/35/842115435.db2.gz GZDWEGRUKWWVNJ-UHFFFAOYSA-N 1 0 389.584 3.543 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000548210831 842170605 /nfs/dbraw/zinc/17/06/05/842170605.db2.gz LNMCCLREMZYGRA-VXKWHMMOSA-N 1 0 399.498 3.998 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CCCC1 ZINC000661862969 842248726 /nfs/dbraw/zinc/24/87/26/842248726.db2.gz LAVOJWPIBROHGS-UHFFFAOYSA-N 1 0 393.413 3.703 20 30 GHEDRO C=CC[C@H]1CC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000599526759 861288209 /nfs/dbraw/zinc/28/82/09/861288209.db2.gz RITBLWCMSAILDV-SFHVURJKSA-N 1 0 380.492 3.845 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000581832745 842257128 /nfs/dbraw/zinc/25/71/28/842257128.db2.gz RCSREHYKCXUAEM-MJGOQNOKSA-N 1 0 398.304 3.652 20 30 GHEDRO O=C(CN1CCCN(C(=O)CC2CCCC2)CC1)NCc1ccc(Cl)cc1 ZINC000329329448 861289668 /nfs/dbraw/zinc/28/96/68/861289668.db2.gz VIFIACOYIJUVIU-UHFFFAOYSA-N 1 0 391.943 3.911 20 30 GHEDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328828060 842350337 /nfs/dbraw/zinc/35/03/37/842350337.db2.gz JRYIDNISSRBLSB-LEWJYISDSA-N 1 0 398.551 3.535 20 30 GHEDRO CC(C)(C#N)C(=O)N(c1ccccc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC001143401214 842408562 /nfs/dbraw/zinc/40/85/62/842408562.db2.gz HNMTXHHEZRQZGW-UHFFFAOYSA-N 1 0 376.504 3.816 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)CC1 ZINC000066921121 842428204 /nfs/dbraw/zinc/42/82/04/842428204.db2.gz NJPVSSOGGJRWOR-UHFFFAOYSA-N 1 0 375.472 3.531 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526112 861310843 /nfs/dbraw/zinc/31/08/43/861310843.db2.gz FCANLFQITIXJPB-GDBMZVCRSA-N 1 0 383.355 3.916 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N(C)Cc2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000026205918 842490603 /nfs/dbraw/zinc/49/06/03/842490603.db2.gz WVOZCHNMKBQPKA-LBPRGKRZSA-N 1 0 377.391 3.829 20 30 GHEDRO CCc1oc2ccccc2c1C[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610556436 842585979 /nfs/dbraw/zinc/58/59/79/842585979.db2.gz CXBJWORISUVQCU-SFHVURJKSA-N 1 0 378.472 3.933 20 30 GHEDRO C=CCn1c2nnc(SC[C@H]3CCCC[N@H+]3C(C)C)n2c2ccccc2c1=O ZINC000549627843 842597516 /nfs/dbraw/zinc/59/75/16/842597516.db2.gz CDFWIUAIJKBDDX-MRXNPFEDSA-N 1 0 397.548 3.585 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(F)c(F)ccc1OC)CC2 ZINC001143405064 842641410 /nfs/dbraw/zinc/64/14/10/842641410.db2.gz UBRNXWQZQRKCRV-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000107600899 842752803 /nfs/dbraw/zinc/75/28/03/842752803.db2.gz HUDJSGDSXQMWDV-OAQYLSRUSA-N 1 0 376.504 3.666 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000512179424 842776564 /nfs/dbraw/zinc/77/65/64/842776564.db2.gz CLGDFPMRUNBDAS-ACRUOGEOSA-N 1 0 385.552 3.568 20 30 GHEDRO Cc1ccc(NC(=O)c2nnc(CN3C[C@H]4CCCC[N@H+]4C[C@H]3C)s2)cc1 ZINC000329378207 861350868 /nfs/dbraw/zinc/35/08/68/861350868.db2.gz MKNPHJXRGHFJNQ-NVXWUHKLSA-N 1 0 385.537 3.541 20 30 GHEDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000891766416 842859603 /nfs/dbraw/zinc/85/96/03/842859603.db2.gz OXQJTTYNDFOTOA-FOIQADDNSA-N 1 0 398.457 3.830 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1OCc1ccccc1 ZINC000471857319 842886320 /nfs/dbraw/zinc/88/63/20/842886320.db2.gz NZTCGYBQXXZPBG-GUDVDZBRSA-N 1 0 395.528 3.699 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)cc1 ZINC001126327543 842905503 /nfs/dbraw/zinc/90/55/03/842905503.db2.gz AHEUYMXWWUYUAW-IBGZPJMESA-N 1 0 398.304 3.774 20 30 GHEDRO CC(=O)Nc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccccc2)c1 ZINC000126029140 842908360 /nfs/dbraw/zinc/90/83/60/842908360.db2.gz YMWUTJNTTWTGHF-UHFFFAOYSA-O 1 0 390.488 3.983 20 30 GHEDRO COc1cc(C[N@H+](C)[C@H](CO)CC(C)C)ccc1OCc1cccc(C#N)c1 ZINC000481437302 861360315 /nfs/dbraw/zinc/36/03/15/861360315.db2.gz VCUYKDAOHWGCBM-NRFANRHFSA-N 1 0 382.504 3.985 20 30 GHEDRO CC(C)C[C@@H](CO)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000481439773 861365575 /nfs/dbraw/zinc/36/55/75/861365575.db2.gz UCLMJXVRIFTKHF-HNNXBMFYSA-N 1 0 377.554 3.556 20 30 GHEDRO C[C@H]([NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000471864225 843010167 /nfs/dbraw/zinc/01/01/67/843010167.db2.gz YREMBTYNSZCPJY-DFQSSKMNSA-N 1 0 383.536 3.691 20 30 GHEDRO CCCCOc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000067011102 843020802 /nfs/dbraw/zinc/02/08/02/843020802.db2.gz MNSZNDLMAXVRFO-UHFFFAOYSA-N 1 0 394.519 3.899 20 30 GHEDRO CC[C@@H](C)Oc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000067010963 843021473 /nfs/dbraw/zinc/02/14/73/843021473.db2.gz PZTWEKUOVHCMML-QGZVFWFLSA-N 1 0 394.519 3.898 20 30 GHEDRO C[N@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000610581453 843063149 /nfs/dbraw/zinc/06/31/49/843063149.db2.gz DKBUVGKSCZRSHX-UFYCRDLUSA-N 1 0 395.528 3.825 20 30 GHEDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000066946547 843072535 /nfs/dbraw/zinc/07/25/35/843072535.db2.gz OOMYZERELWABOL-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1OC ZINC000430873327 843115878 /nfs/dbraw/zinc/11/58/78/843115878.db2.gz RJQRESWKJWMHEK-LJQANCHMSA-N 1 0 380.488 3.745 20 30 GHEDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662414699 843199898 /nfs/dbraw/zinc/19/98/98/843199898.db2.gz XLYDSLOEFDPRDG-SNVBAGLBSA-N 1 0 386.311 3.658 20 30 GHEDRO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000279719980 843266631 /nfs/dbraw/zinc/26/66/31/843266631.db2.gz LMGZAMLNVDDNGX-CRAIPNDOSA-N 1 0 378.476 3.596 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610614174 843298433 /nfs/dbraw/zinc/29/84/33/843298433.db2.gz DHUSKXJBUMVVDZ-BETUJISGSA-N 1 0 379.304 3.559 20 30 GHEDRO Cn1nccc1[C@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000329429461 861408337 /nfs/dbraw/zinc/40/83/37/861408337.db2.gz HHKUUAJCYYMLIO-OAQYLSRUSA-N 1 0 395.551 3.698 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC[NH2+]1 ZINC000662525148 843381968 /nfs/dbraw/zinc/38/19/68/843381968.db2.gz QXXIBOFQHBVOHG-MWTRTKDXSA-N 1 0 395.478 3.954 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c(C2CC2)c1 ZINC000933847859 843468133 /nfs/dbraw/zinc/46/81/33/843468133.db2.gz PBXIGFVCRVYCOV-UHFFFAOYSA-N 1 0 396.535 3.792 20 30 GHEDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(OC2CCCC2)nc1 ZINC000329445470 861440869 /nfs/dbraw/zinc/44/08/69/861440869.db2.gz KVUPLSHBNYURPV-UHFFFAOYSA-N 1 0 387.524 3.743 20 30 GHEDRO C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000512831259 843826555 /nfs/dbraw/zinc/82/65/55/843826555.db2.gz FJFAFANSDITBPN-GOSISDBHSA-N 1 0 381.442 3.887 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000433225458 843884145 /nfs/dbraw/zinc/88/41/45/843884145.db2.gz BUWOFKUQAFYPRI-UHFFFAOYSA-N 1 0 394.544 3.734 20 30 GHEDRO C=CCn1c(C)nnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000576150055 843913125 /nfs/dbraw/zinc/91/31/25/843913125.db2.gz ZQXCVHICOYGDKM-UHFFFAOYSA-N 1 0 379.430 3.504 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2C[C@H](O)C[C@@H]2c2ccccc2)ccc1Cl ZINC000411960518 843953795 /nfs/dbraw/zinc/95/37/95/843953795.db2.gz YYQGFSZRNHPKRS-TZIWHRDSSA-N 1 0 397.906 3.703 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000731114809 861475593 /nfs/dbraw/zinc/47/55/93/861475593.db2.gz ODEOQWVFXCRMGS-QFIPXVFZSA-N 1 0 393.487 3.666 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000512930677 844006410 /nfs/dbraw/zinc/00/64/10/844006410.db2.gz YZMYARZHQWBBBF-OAQYLSRUSA-N 1 0 377.463 3.510 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1OC ZINC000549924981 844659952 /nfs/dbraw/zinc/65/99/52/844659952.db2.gz WZRTYHYFDSSNHR-UGSOOPFHSA-N 1 0 384.314 3.663 20 30 GHEDRO C[NH+](C)CCOc1ccc(CC/N=C\c2cc(Br)ccc2O)cc1 ZINC000729150843 844750661 /nfs/dbraw/zinc/75/06/61/844750661.db2.gz YWFHUCQVNSGVHD-STZFKDTASA-N 1 0 391.309 3.757 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[C@@H]2C1 ZINC000329471891 861493540 /nfs/dbraw/zinc/49/35/40/861493540.db2.gz ZWDKGDZTJMRBIO-DYESRHJHSA-N 1 0 376.460 3.922 20 30 GHEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000333337424 844770390 /nfs/dbraw/zinc/77/03/90/844770390.db2.gz PDZODDJSKMOAQW-MRXNPFEDSA-N 1 0 391.313 3.563 20 30 GHEDRO Cc1ccnc(OC2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000329476590 861498335 /nfs/dbraw/zinc/49/83/35/861498335.db2.gz UFARYEHHODAYRW-UHFFFAOYSA-N 1 0 386.540 3.554 20 30 GHEDRO CSc1nnc(CCC[NH2+][C@H](C)c2ccc(C#N)cc2F)n1CC(C)C ZINC000512626592 844804599 /nfs/dbraw/zinc/80/45/99/844804599.db2.gz VKRCYQLCFLYLIO-CQSZACIVSA-N 1 0 375.517 3.950 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000614179627 844885346 /nfs/dbraw/zinc/88/53/46/844885346.db2.gz VHKJRTKJUCCFDS-MRXNPFEDSA-N 1 0 385.533 3.589 20 30 GHEDRO N#Cc1ccc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(Cl)c1 ZINC000894213114 844962562 /nfs/dbraw/zinc/96/25/62/844962562.db2.gz GUKUZMLMTAXIPT-UHFFFAOYSA-N 1 0 382.895 3.521 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccccc1Br)C2 ZINC000599678333 861516430 /nfs/dbraw/zinc/51/64/30/861516430.db2.gz TYNBMAHHJULERU-UHFFFAOYSA-N 1 0 398.304 3.902 20 30 GHEDRO C=CCc1cc(CN2Cc3ccccc3[C@@H](C(=O)OCC)C2)cc(OC)c1O ZINC000512667174 844965992 /nfs/dbraw/zinc/96/59/92/844965992.db2.gz AZLWYJRDBPVVHH-FQEVSTJZSA-N 1 0 381.472 3.792 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000329489537 861522927 /nfs/dbraw/zinc/52/29/27/861522927.db2.gz UUOOWVVGPPTOLB-WHCFWRGISA-N 1 0 385.552 3.751 20 30 GHEDRO COc1ccc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433037666 845035618 /nfs/dbraw/zinc/03/56/18/845035618.db2.gz GMKKQCCBOMKTGH-QGZVFWFLSA-N 1 0 382.420 3.567 20 30 GHEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000610989642 845036001 /nfs/dbraw/zinc/03/60/01/845036001.db2.gz RFCVEUFWJPGJPM-APWZRJJASA-N 1 0 385.533 3.521 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433039419 845038913 /nfs/dbraw/zinc/03/89/13/845038913.db2.gz NVARSSAXIRLBJI-IBGZPJMESA-N 1 0 378.432 3.509 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000411184791 845055407 /nfs/dbraw/zinc/05/54/07/845055407.db2.gz GSZSNXGLQKEWDR-OAHLLOKOSA-N 1 0 396.447 3.887 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599685788 861528702 /nfs/dbraw/zinc/52/87/02/861528702.db2.gz YNRQDWYOHRZHIJ-SFHVURJKSA-N 1 0 392.286 3.907 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)ccn1 ZINC000610993032 845092411 /nfs/dbraw/zinc/09/24/11/845092411.db2.gz BGGXQRKWESEIJH-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000181550423 845095193 /nfs/dbraw/zinc/09/51/93/845095193.db2.gz UGROEEJXKPDLKS-HKUYNNGSSA-N 1 0 386.536 3.572 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000429113606 861538759 /nfs/dbraw/zinc/53/87/59/861538759.db2.gz XNWBUIRUWUOYOY-AWEZNQCLSA-N 1 0 398.429 3.695 20 30 GHEDRO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329503701 861554301 /nfs/dbraw/zinc/55/43/01/861554301.db2.gz ZDKQYIMAOFRDRV-JFYQVNSESA-N 1 0 385.552 3.581 20 30 GHEDRO C[C@H](CNC(=O)[C@H]1CCCCN1C(=O)c1cccs1)C[NH+]1CCCCC1 ZINC000329018527 845360020 /nfs/dbraw/zinc/36/00/20/845360020.db2.gz LAJLMYSPECNWGD-IAGOWNOFSA-N 1 0 377.554 3.821 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000182380485 845437017 /nfs/dbraw/zinc/43/70/17/845437017.db2.gz KYRGPFROUNLNDJ-UHFFFAOYSA-N 1 0 397.972 3.734 20 30 GHEDRO COc1cccc([C@H](C/N=C\c2cc(Br)ccc2O)[NH+](C)C)c1 ZINC000255438662 845486567 /nfs/dbraw/zinc/48/65/67/845486567.db2.gz DLTYRQIQDXKOKD-BCUAHEQISA-N 1 0 377.282 3.885 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000600311401 861579288 /nfs/dbraw/zinc/57/92/88/861579288.db2.gz PECPWDZORJEOIF-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000513520957 845572542 /nfs/dbraw/zinc/57/25/42/845572542.db2.gz MBNKVSHYCYGSOG-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000600315899 861584858 /nfs/dbraw/zinc/58/48/58/861584858.db2.gz WXPOPMDQFRVQCE-FQEVSTJZSA-N 1 0 377.488 3.599 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)NCC3CCCCC3)CC2)c(F)c1 ZINC000512811837 845620016 /nfs/dbraw/zinc/62/00/16/845620016.db2.gz LTUXFRNGZOWLHZ-UHFFFAOYSA-N 1 0 387.499 3.627 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2Cc3ccccc3O[C@H](C)C2)c1C ZINC000429120643 861594534 /nfs/dbraw/zinc/59/45/34/861594534.db2.gz BJWHKCPPAFJRSC-GOSISDBHSA-N 1 0 377.488 3.833 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCC[C@H]1O ZINC000481540210 861634006 /nfs/dbraw/zinc/63/40/06/861634006.db2.gz ICWDNDIQXLMXIX-CRAIPNDOSA-N 1 0 389.565 3.700 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1C#N ZINC000366902285 846168945 /nfs/dbraw/zinc/16/89/45/846168945.db2.gz YUQOQSOOTOOJFP-UHFFFAOYSA-N 1 0 390.409 3.739 20 30 GHEDRO COC1([C@@H](C)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCOCC1 ZINC000421407834 846221439 /nfs/dbraw/zinc/22/14/39/846221439.db2.gz WOGCNUXXFWKORZ-GOSISDBHSA-N 1 0 380.488 3.811 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000072020960 846235946 /nfs/dbraw/zinc/23/59/46/846235946.db2.gz RRKSUKSJBDAPTG-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000582082450 846259372 /nfs/dbraw/zinc/25/93/72/846259372.db2.gz JZLHMNUNFSZWFA-JOCHJYFZSA-N 1 0 391.515 3.796 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000414523755 846291252 /nfs/dbraw/zinc/29/12/52/846291252.db2.gz IUVBQPLPCWJSOU-AUSIDOKSSA-N 1 0 395.551 3.591 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414528945 846322834 /nfs/dbraw/zinc/32/28/34/846322834.db2.gz UXMPOJCVPARAEA-ZJOUEHCJSA-N 1 0 395.551 3.805 20 30 GHEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N1CCC(OCC2CC2)CC1 ZINC000261845664 846372561 /nfs/dbraw/zinc/37/25/61/846372561.db2.gz XERXLPAGTRPWEZ-UHFFFAOYSA-N 1 0 392.956 3.916 20 30 GHEDRO COCCCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000237248523 846410184 /nfs/dbraw/zinc/41/01/84/846410184.db2.gz IVYITXWBECZHOO-HXUWFJFHSA-N 1 0 397.494 3.871 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000684767705 846448451 /nfs/dbraw/zinc/44/84/51/846448451.db2.gz PYBJBNNDZFEIQW-GHTZIAJQSA-N 1 0 399.560 3.718 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[NH+](C)C)c1 ZINC000419402721 846524497 /nfs/dbraw/zinc/52/44/97/846524497.db2.gz PDBZCDZEKIMJIX-VXKWHMMOSA-N 1 0 392.503 3.546 20 30 GHEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000375674964 846540159 /nfs/dbraw/zinc/54/01/59/846540159.db2.gz CIXOWSUEULKNGM-SJORKVTESA-N 1 0 394.519 3.721 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC2(C#N)CCC2)cc1 ZINC000419409299 846541518 /nfs/dbraw/zinc/54/15/18/846541518.db2.gz MZGGFNYHAULMNO-UHFFFAOYSA-N 1 0 376.504 3.908 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502933705 846627350 /nfs/dbraw/zinc/62/73/50/846627350.db2.gz COIRRSVGNDYYRE-KRWDZBQOSA-N 1 0 378.476 3.626 20 30 GHEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000421842655 846633233 /nfs/dbraw/zinc/63/32/33/846633233.db2.gz OHRZRLOHNCCLQP-VLIAUNLRSA-N 1 0 385.870 3.672 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511095186 846761693 /nfs/dbraw/zinc/76/16/93/846761693.db2.gz JGNAFNWXFSKUJV-UHFFFAOYSA-N 1 0 391.393 3.960 20 30 GHEDRO COc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(F)cc1C#N ZINC000599815942 861715925 /nfs/dbraw/zinc/71/59/25/861715925.db2.gz CPZLZGYCLDOYOV-INIZCTEOSA-N 1 0 388.487 3.682 20 30 GHEDRO C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(C2CCCCC2)no1 ZINC000329589502 861715963 /nfs/dbraw/zinc/71/59/63/861715963.db2.gz ZJKPRDGHHRTUHO-KTFSGNIMSA-N 1 0 375.517 3.649 20 30 GHEDRO N#Cc1cnc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000501300845 846815118 /nfs/dbraw/zinc/81/51/18/846815118.db2.gz SJMNVYOFSDTTHU-UHFFFAOYSA-N 1 0 390.318 3.884 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)C[N@@H+]1C1CC1 ZINC000329595304 861730260 /nfs/dbraw/zinc/73/02/60/861730260.db2.gz IDVGKFMMIGTVAO-CJNGLKHVSA-N 1 0 386.471 3.686 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271865566 846938869 /nfs/dbraw/zinc/93/88/69/846938869.db2.gz UXRCNFBEGPFDIN-MRXNPFEDSA-N 1 0 385.533 3.589 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)CC2)ccc1OCc1cccc(C#N)c1 ZINC000555752030 861740094 /nfs/dbraw/zinc/74/00/94/861740094.db2.gz ZIYJZNYTNUQVRN-GOSISDBHSA-N 1 0 380.488 3.740 20 30 GHEDRO C[C@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272389514 847066766 /nfs/dbraw/zinc/06/67/66/847066766.db2.gz WMMIUTDYDRMXBT-OFYNTPSNSA-N 1 0 389.499 3.629 20 30 GHEDRO CC1(C#N)CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000272689312 847145927 /nfs/dbraw/zinc/14/59/27/847145927.db2.gz VJSBNXJCJFVTJP-QGZVFWFLSA-N 1 0 394.441 3.615 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCC(=O)Nc1sccc1C#N ZINC000501779332 847179603 /nfs/dbraw/zinc/17/96/03/847179603.db2.gz WFMXAZIEGQKAMT-IRXDYDNUSA-N 1 0 382.533 3.543 20 30 GHEDRO N#Cc1csc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000183814896 847203729 /nfs/dbraw/zinc/20/37/29/847203729.db2.gz CLIAXTCVSLDZLE-CQSZACIVSA-N 1 0 379.407 3.529 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000501847542 847247446 /nfs/dbraw/zinc/24/74/46/847247446.db2.gz DJFXYZDAVZJOFS-YADHBBJMSA-N 1 0 381.516 3.871 20 30 GHEDRO CCN(C(=O)COc1ccccc1C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501960713 847349921 /nfs/dbraw/zinc/34/99/21/847349921.db2.gz YGFWZELUMLKOCN-GHTZIAJQSA-N 1 0 377.488 3.621 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000562078608 847507802 /nfs/dbraw/zinc/50/78/02/847507802.db2.gz OVNZRGRRWVVOHE-KRWDZBQOSA-N 1 0 388.393 3.973 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000502237365 847627884 /nfs/dbraw/zinc/62/78/84/847627884.db2.gz BAQDZCAGWKZYHA-UHFFFAOYSA-N 1 0 397.479 3.579 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c3ccccc3[nH]c2C(=O)OC)c1 ZINC000894272764 847661482 /nfs/dbraw/zinc/66/14/82/847661482.db2.gz FUNROPYJLCJSTJ-MRXNPFEDSA-N 1 0 377.444 3.925 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000502322964 847734906 /nfs/dbraw/zinc/73/49/06/847734906.db2.gz ZRVSFVBKDVMRLB-QFIPXVFZSA-N 1 0 392.478 3.799 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1cnn(CC2CCC2)c1 ZINC000934558051 847816046 /nfs/dbraw/zinc/81/60/46/847816046.db2.gz WKOYYCZSYWKKOY-AWEZNQCLSA-N 1 0 397.548 3.784 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000604145152 861888493 /nfs/dbraw/zinc/88/84/93/861888493.db2.gz BYIAWAFGBRVRKV-FPOVZHCZSA-N 1 0 383.467 3.520 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1OC ZINC000628159788 848396844 /nfs/dbraw/zinc/39/68/44/848396844.db2.gz XTALWCSFQVVBPK-INIZCTEOSA-N 1 0 394.943 3.898 20 30 GHEDRO COC(=O)[C@@H](OC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000842331550 861909966 /nfs/dbraw/zinc/90/99/66/861909966.db2.gz GSAUSNSPUNJFTQ-NRFANRHFSA-N 1 0 392.455 3.615 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000582885707 848626933 /nfs/dbraw/zinc/62/69/33/848626933.db2.gz OUOAPMXOEMZCKK-SBUREZEXSA-N 1 0 398.526 3.619 20 30 GHEDRO N#Cc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(N)c1[N+](=O)[O-] ZINC000431515305 848895766 /nfs/dbraw/zinc/89/57/66/848895766.db2.gz YUOQBWRNRQBKND-UHFFFAOYSA-N 1 0 391.475 3.541 20 30 GHEDRO CN(C(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000731943966 861966584 /nfs/dbraw/zinc/96/65/84/861966584.db2.gz DNERCXBDWAARPA-UHFFFAOYSA-N 1 0 388.924 3.985 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)COc2ccccc2C#N)c2ccccc2)CC1 ZINC000604200087 861968262 /nfs/dbraw/zinc/96/82/62/861968262.db2.gz ACGNZZVREWPSRC-NRFANRHFSA-N 1 0 377.488 3.526 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)cc1Cl ZINC000583077076 849023347 /nfs/dbraw/zinc/02/33/47/849023347.db2.gz XFXXIKCAXHIRGW-OAQYLSRUSA-N 1 0 395.890 3.834 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)sc2C1 ZINC000583130206 849138354 /nfs/dbraw/zinc/13/83/54/849138354.db2.gz DZOVASCAKLAPND-CTNSEHHHSA-N 1 0 399.560 3.620 20 30 GHEDRO CC(C)(CC#N)CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000458418614 849277878 /nfs/dbraw/zinc/27/78/78/849277878.db2.gz QLGHPOXEHQEYLF-INIZCTEOSA-N 1 0 382.430 3.519 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000125427302 849510518 /nfs/dbraw/zinc/51/05/18/849510518.db2.gz ZGQKPOHGCJOKDA-HOTGVXAUSA-N 1 0 378.542 3.559 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000583339030 849656766 /nfs/dbraw/zinc/65/67/66/849656766.db2.gz QNMWVPRLNUBNAC-OALUTQOASA-N 1 0 392.341 3.934 20 30 GHEDRO C[C@H]1CSCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000190414358 849743853 /nfs/dbraw/zinc/74/38/53/849743853.db2.gz FIOGBMHDIJEZOP-CQSZACIVSA-N 1 0 377.579 3.902 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)C1 ZINC000504010636 849843025 /nfs/dbraw/zinc/84/30/25/849843025.db2.gz OJPWTUYCPWVLNH-OALUTQOASA-N 1 0 382.552 4.000 20 30 GHEDRO C[C@@]1(CCc2ccccc2)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000434908003 849890604 /nfs/dbraw/zinc/89/06/04/849890604.db2.gz VTJQCAXYAIEFNI-JOCHJYFZSA-N 1 0 382.529 3.677 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1cccc(C)c1 ZINC000278254204 849900466 /nfs/dbraw/zinc/90/04/66/849900466.db2.gz MUJYQLMFPDRRLC-UHFFFAOYSA-O 1 0 399.536 3.786 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCCc2cccc(C#N)c2)cc1 ZINC000439531909 850062480 /nfs/dbraw/zinc/06/24/80/850062480.db2.gz WEMPINXYLRXIFN-UHFFFAOYSA-N 1 0 380.492 3.643 20 30 GHEDRO COc1ccc(CC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000504484767 850095164 /nfs/dbraw/zinc/09/51/64/850095164.db2.gz XLLPXSYUHQQOGB-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329690897 862090859 /nfs/dbraw/zinc/09/08/59/862090859.db2.gz BRRQRSPZILUISX-DLBZAZTESA-N 1 0 384.524 3.792 20 30 GHEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)NCC1(C#N)CC1)Cc1ccccc1 ZINC000514647396 850097174 /nfs/dbraw/zinc/09/71/74/850097174.db2.gz KMMIGHDLTQTQID-UHFFFAOYSA-N 1 0 376.504 3.634 20 30 GHEDRO CC[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1C(F)(F)F ZINC000439638532 850201274 /nfs/dbraw/zinc/20/12/74/850201274.db2.gz WMOJBSNMMQHVFR-MAUKXSAKSA-N 1 0 391.393 3.551 20 30 GHEDRO Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424113212 850225944 /nfs/dbraw/zinc/22/59/44/850225944.db2.gz MKZQMRPUOMTAFF-GCJKJVERSA-N 1 0 379.504 3.642 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000518843620 850234398 /nfs/dbraw/zinc/23/43/98/850234398.db2.gz MBIMXTBZCGPPPK-KRWDZBQOSA-N 1 0 383.517 3.500 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1C#N ZINC000426457633 850241178 /nfs/dbraw/zinc/24/11/78/850241178.db2.gz GGGGWRYDVXFIGT-PXNSSMCTSA-N 1 0 380.492 3.821 20 30 GHEDRO COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N)CCO2 ZINC000424132686 850260052 /nfs/dbraw/zinc/26/00/52/850260052.db2.gz WODMIOAACPPFSN-RTWAWAEBSA-N 1 0 393.487 3.569 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000424231100 850301146 /nfs/dbraw/zinc/30/11/46/850301146.db2.gz AYORLSHKPJWKLJ-GOSISDBHSA-N 1 0 375.586 3.877 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000424231033 850301475 /nfs/dbraw/zinc/30/14/75/850301475.db2.gz ASPWOEYJOFGPDJ-FJIDUMEYSA-N 1 0 375.586 3.589 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000506658977 850329063 /nfs/dbraw/zinc/32/90/63/850329063.db2.gz AEUMZZBBBVAVEK-VQTJNVASSA-N 1 0 393.487 3.812 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000424291124 850336313 /nfs/dbraw/zinc/33/63/13/850336313.db2.gz CZTPDVNOOVXOEP-KMFMINBZSA-N 1 0 385.289 3.793 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@H+](CCOc3ccc(C#N)cc3OC)C2)cc1 ZINC000514832945 850368554 /nfs/dbraw/zinc/36/85/54/850368554.db2.gz WOHQMHWJBLTAIF-HXUWFJFHSA-N 1 0 380.488 3.909 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000174558075 850423585 /nfs/dbraw/zinc/42/35/85/850423585.db2.gz SGFCRZZKMBIKDQ-UHFFFAOYSA-N 1 0 395.466 3.975 20 30 GHEDRO C=CCn1c(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccccn1 ZINC000487123346 850458870 /nfs/dbraw/zinc/45/88/70/850458870.db2.gz GBMRFBATTDLSFZ-GOSISDBHSA-N 1 0 377.517 3.893 20 30 GHEDRO Cc1ccc(NC(=O)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000425372445 850481506 /nfs/dbraw/zinc/48/15/06/850481506.db2.gz SSMQVRCGDVQZSI-UHFFFAOYSA-N 1 0 396.922 3.713 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3c(F)cc(C#N)cc3F)C2)s1 ZINC000514945585 850491580 /nfs/dbraw/zinc/49/15/80/850491580.db2.gz VBMIXTWWGQIOPT-CQSZACIVSA-N 1 0 389.471 3.801 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000909294799 850676839 /nfs/dbraw/zinc/67/68/39/850676839.db2.gz XIJLJQWHGPANJJ-FUHWJXTLSA-N 1 0 384.553 3.532 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2occc2COc2cccc(C#N)c2)CCCCC1 ZINC000522602643 862165747 /nfs/dbraw/zinc/16/57/47/862165747.db2.gz NQPWCKLBOWTTGW-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(NC(C)=O)c1 ZINC000506758799 850785864 /nfs/dbraw/zinc/78/58/64/850785864.db2.gz HVZZLBWKFUJKMD-UHFFFAOYSA-N 1 0 399.564 3.743 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000425405255 850810686 /nfs/dbraw/zinc/81/06/86/850810686.db2.gz XRZDJBZTTNUFEQ-ZWKOTPCHSA-N 1 0 376.504 3.707 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)Cc1ccccc1 ZINC000505325526 850813927 /nfs/dbraw/zinc/81/39/27/850813927.db2.gz ISGNZZDAJFWWQE-JOCHJYFZSA-N 1 0 393.506 3.798 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000519271037 850827699 /nfs/dbraw/zinc/82/76/99/850827699.db2.gz HXPHRYIBBYXVGK-UHFFFAOYSA-N 1 0 393.318 3.949 20 30 GHEDRO C=C(C(=O)N1CCC[C@]2(CCC[N@@H+](Cc3scnc3C)C2)C1)C(F)(F)F ZINC001270008543 850839964 /nfs/dbraw/zinc/83/99/64/850839964.db2.gz WWPFORIFWRXPTJ-KRWDZBQOSA-N 1 0 387.471 3.775 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(F)c(C#N)c3)cc2)C[C@@H](C)O1 ZINC000481746994 862177495 /nfs/dbraw/zinc/17/74/95/862177495.db2.gz WCJVMGZJHRQJSE-HZPDHXFCSA-N 1 0 396.466 3.628 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000604445604 862185689 /nfs/dbraw/zinc/18/56/89/862185689.db2.gz LOFBMRPAIQEOPI-KDURUIRLSA-N 1 0 390.531 3.764 20 30 GHEDRO CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000604416506 862191379 /nfs/dbraw/zinc/19/13/79/862191379.db2.gz YQNDNGXLXLQXFT-PKTZIBPZSA-N 1 0 378.516 3.762 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ncc(C#N)cc1Cl ZINC000513910334 851012475 /nfs/dbraw/zinc/01/24/75/851012475.db2.gz ZQPVLZDUHHWDLB-GOSISDBHSA-N 1 0 382.895 3.637 20 30 GHEDRO C=CCOC(=O)[C@@H](Nc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1)[C@@H](C)CC ZINC001167960154 851135894 /nfs/dbraw/zinc/13/58/94/851135894.db2.gz UTSGXWYCDACTKX-CDXJDZJCSA-N 1 0 384.524 3.907 20 30 GHEDRO C[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000329716437 862210493 /nfs/dbraw/zinc/21/04/93/862210493.db2.gz WLCLZFNCLZHFFP-CYBMUJFWSA-N 1 0 395.425 3.787 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@H]1OCCc2ccccc21)C(C)C ZINC000514073701 851193933 /nfs/dbraw/zinc/19/39/33/851193933.db2.gz BLQHISDINKGMSP-FCHUYYIVSA-N 1 0 385.552 3.640 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000436138118 851250824 /nfs/dbraw/zinc/25/08/24/851250824.db2.gz KCOKKOZDKBAWKL-UHFFFAOYSA-N 1 0 379.382 3.683 20 30 GHEDRO CCS[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000175007478 851293423 /nfs/dbraw/zinc/29/34/23/851293423.db2.gz JDSLTJGGZWTLDQ-VQTJNVASSA-N 1 0 388.581 3.696 20 30 GHEDRO C[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000436230759 851352403 /nfs/dbraw/zinc/35/24/03/851352403.db2.gz IMTXHRGPPNYYKJ-HNNXBMFYSA-N 1 0 389.565 3.843 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(Cc2ccccc2)c1 ZINC000514194765 851389443 /nfs/dbraw/zinc/38/94/43/851389443.db2.gz LQNGRJCLVSTUHG-UHFFFAOYSA-N 1 0 386.499 3.612 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3cccc(C#N)c3)cc2)C1 ZINC000515759249 851441710 /nfs/dbraw/zinc/44/17/10/851441710.db2.gz DZXRBQHPUQVSBN-QZTJIDSGSA-N 1 0 397.544 3.515 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3CCC([N@@H+]4CCc5ccccc5C4)CC3)CC2)cc1 ZINC000436305142 851444156 /nfs/dbraw/zinc/44/41/56/851444156.db2.gz IDRFNUMWQUSCOB-UHFFFAOYSA-N 1 0 385.511 3.639 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@]3(C#N)CC34CCCC4)CC[N@@H+]2C2CC2)c1 ZINC000515772022 851454842 /nfs/dbraw/zinc/45/48/42/851454842.db2.gz DYMXPFGGXXOVIV-MZKRTTBSSA-N 1 0 379.504 3.563 20 30 GHEDRO CN(CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000515836613 851543190 /nfs/dbraw/zinc/54/31/90/851543190.db2.gz FECALQVAFGJXGD-UHFFFAOYSA-N 1 0 376.504 3.735 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000425542840 851586210 /nfs/dbraw/zinc/58/62/10/851586210.db2.gz YUPNICVKFXBAMQ-KRWDZBQOSA-N 1 0 390.487 3.707 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000180640834 862263278 /nfs/dbraw/zinc/26/32/78/862263278.db2.gz JXVYSQSLIHYXNJ-YLJYHZDGSA-N 1 0 393.487 3.834 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000732418594 862264658 /nfs/dbraw/zinc/26/46/58/862264658.db2.gz XXTVNRUGOGWIAT-UHFFFAOYSA-N 1 0 394.519 3.715 20 30 GHEDRO C=CC[C@@H](C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000488647436 851673485 /nfs/dbraw/zinc/67/34/85/851673485.db2.gz SLQQYALLMGOHAT-XMMPIXPASA-N 1 0 391.559 3.800 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000604532342 862284057 /nfs/dbraw/zinc/28/40/57/862284057.db2.gz YJLVRICSYGNJGM-UHFFFAOYSA-N 1 0 397.548 3.849 20 30 GHEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000120805492 851823852 /nfs/dbraw/zinc/82/38/52/851823852.db2.gz CFTDSIBNYYNPNX-INIZCTEOSA-N 1 0 382.357 3.588 20 30 GHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329751455 862292708 /nfs/dbraw/zinc/29/27/08/862292708.db2.gz IXLOCXKRQNNTAB-CGVQKBNFSA-N 1 0 387.568 3.635 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000437987257 851921832 /nfs/dbraw/zinc/92/18/32/851921832.db2.gz OZQJTJCECVUORC-AOHZBQACSA-N 1 0 397.563 3.665 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000505829309 851925232 /nfs/dbraw/zinc/92/52/32/851925232.db2.gz DMFGJGJXWGJYOH-OALUTQOASA-N 1 0 385.552 3.618 20 30 GHEDRO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329760283 862302053 /nfs/dbraw/zinc/30/20/53/862302053.db2.gz PZSFFOLKVHFXJD-MSOLQXFVSA-N 1 0 381.480 3.875 20 30 GHEDRO COc1ccc2cc(C[N@H+](C)[C@H]3CCN(c4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000028748678 851997812 /nfs/dbraw/zinc/99/78/12/851997812.db2.gz HFYGOBQMUXRPIV-QHCPKHFHSA-N 1 0 385.467 3.957 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc(OCCO)cc2)c1 ZINC000517547547 852104217 /nfs/dbraw/zinc/10/42/17/852104217.db2.gz ZTKSILPYTKFCHY-UHFFFAOYSA-N 1 0 388.467 3.798 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1 ZINC000151189150 852117261 /nfs/dbraw/zinc/11/72/61/852117261.db2.gz PLDRDVAJKVIMDN-HNNXBMFYSA-N 1 0 380.801 3.994 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000028845259 852174415 /nfs/dbraw/zinc/17/44/15/852174415.db2.gz APNOOLIXPVDPGX-UHFFFAOYSA-N 1 0 382.895 3.671 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000517708599 852275679 /nfs/dbraw/zinc/27/56/79/852275679.db2.gz ACUBBAZQAONTOJ-GCJKJVERSA-N 1 0 399.560 3.743 20 30 GHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)CCc1ccc3c(c1)OCO3)CC2 ZINC000329817487 862342567 /nfs/dbraw/zinc/34/25/67/862342567.db2.gz WREPMWNYBMAJIZ-UHOSZYNNSA-N 1 0 387.524 3.598 20 30 GHEDRO COc1ccc(CNC(NCc2ccc(OC(C)C)nc2)=[NH+]C(C)(C)C)cc1 ZINC000912507863 852312601 /nfs/dbraw/zinc/31/26/01/852312601.db2.gz GIZKBRWZIOVORO-UHFFFAOYSA-N 1 0 384.524 3.911 20 30 GHEDRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000489604270 852481574 /nfs/dbraw/zinc/48/15/74/852481574.db2.gz JTAYZIMFUUHZIQ-UHFFFAOYSA-N 1 0 383.879 3.650 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C(C)C)C2)c1C#N ZINC000438497878 852486095 /nfs/dbraw/zinc/48/60/95/852486095.db2.gz TXCQRFYEAYFPIB-HXUWFJFHSA-N 1 0 378.520 3.941 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507178983 852627653 /nfs/dbraw/zinc/62/76/53/852627653.db2.gz GMKAVUZDSHKTHJ-HTAPYJJXSA-N 1 0 382.508 3.649 20 30 GHEDRO N#Cc1c(C(F)(F)F)cc(Cl)nc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167984969 852716879 /nfs/dbraw/zinc/71/68/79/852716879.db2.gz XMMTVWRPUHOFKX-UHFFFAOYSA-N 1 0 380.757 3.776 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261957200 852722268 /nfs/dbraw/zinc/72/22/68/852722268.db2.gz JCTLHLWHIYYRMT-FXAWDEMLSA-N 1 0 392.507 3.505 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c(OC)c1 ZINC000490047690 852734552 /nfs/dbraw/zinc/73/45/52/852734552.db2.gz FLNREFJLOPCTGP-FGZHOGPDSA-N 1 0 396.531 3.740 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000516604735 852767688 /nfs/dbraw/zinc/76/76/88/852767688.db2.gz CAWXJUMPAFNCSD-XLIONFOSSA-N 1 0 390.535 3.846 20 30 GHEDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000516606701 852785464 /nfs/dbraw/zinc/78/54/64/852785464.db2.gz UHJGPGADPCUODA-NRFANRHFSA-N 1 0 399.922 3.936 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC000669033108 852789793 /nfs/dbraw/zinc/78/97/93/852789793.db2.gz HDGBHZGBIFHEGU-UXHICEINSA-N 1 0 399.514 3.554 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437149585 852796931 /nfs/dbraw/zinc/79/69/31/852796931.db2.gz AWOFWHOONFPRFW-UHFFFAOYSA-N 1 0 387.430 3.884 20 30 GHEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440495863 852810485 /nfs/dbraw/zinc/81/04/85/852810485.db2.gz QBUAGDUZUFIADP-HNNXBMFYSA-N 1 0 392.341 3.563 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c(Cl)c1 ZINC000426148518 852824796 /nfs/dbraw/zinc/82/47/96/852824796.db2.gz LKZFJQHOFBWYAN-UHFFFAOYSA-N 1 0 378.929 3.695 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427241429 852885372 /nfs/dbraw/zinc/88/53/72/852885372.db2.gz JIXHJPHDSCZGEQ-UHFFFAOYSA-N 1 0 377.467 3.592 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000912933027 852900225 /nfs/dbraw/zinc/90/02/25/852900225.db2.gz ULXNPELOLYBLMN-JOCHJYFZSA-N 1 0 388.515 3.571 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@](C)(O)CC3)cc2)C1 ZINC000329901986 862408733 /nfs/dbraw/zinc/40/87/33/862408733.db2.gz HIZCLLDADDCCGL-YYDVJCTNSA-N 1 0 387.568 3.815 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)N[C@H](CCC#N)c3ccccc3)CCCC2)CC1 ZINC000438861762 853005724 /nfs/dbraw/zinc/00/57/24/853005724.db2.gz UHQUKLISGZMIKW-OAQYLSRUSA-N 1 0 398.551 3.754 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(N4CCCCC4)c4ncccc34)[C@H]2C1 ZINC000329919331 862423572 /nfs/dbraw/zinc/42/35/72/862423572.db2.gz ROMDCOPLJIZKNL-UTKZUKDTSA-N 1 0 393.535 3.797 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)N3CCC(CCC#N)CC3)CC[N@@H+]2C2CC2)c1 ZINC000516864044 853093793 /nfs/dbraw/zinc/09/37/93/853093793.db2.gz MNIBVOXBBRDKNN-FCHUYYIVSA-N 1 0 396.535 3.698 20 30 GHEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437412648 853106683 /nfs/dbraw/zinc/10/66/83/853106683.db2.gz QSXOEWQFWWDBTN-RHSMWYFYSA-N 1 0 379.451 3.676 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1OCCCC#N ZINC000518271782 853146419 /nfs/dbraw/zinc/14/64/19/853146419.db2.gz BSQWIPPBYHQJHH-NRFANRHFSA-N 1 0 379.504 3.742 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1OCCCC#N ZINC000518271783 853146583 /nfs/dbraw/zinc/14/65/83/853146583.db2.gz BSQWIPPBYHQJHH-OAQYLSRUSA-N 1 0 379.504 3.742 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000506056098 853170793 /nfs/dbraw/zinc/17/07/93/853170793.db2.gz QHIUVNRVIAPTTI-UHFFFAOYSA-N 1 0 379.479 3.887 20 30 GHEDRO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518301325 853178193 /nfs/dbraw/zinc/17/81/93/853178193.db2.gz ZGOQHCWENOWUFM-IBGZPJMESA-N 1 0 388.531 3.685 20 30 GHEDRO CSc1cccc(N2C[C@H](C(=O)NCC3CC[NH+](C4CC4)CC3)CC2=O)c1 ZINC000329934587 862436918 /nfs/dbraw/zinc/43/69/18/862436918.db2.gz CBPFCPULUNACRP-MRXNPFEDSA-N 1 0 387.549 3.592 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000437877926 853196082 /nfs/dbraw/zinc/19/60/82/853196082.db2.gz ZBFNJGRRQKVKMF-MRXNPFEDSA-N 1 0 398.429 3.837 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000437550422 853249196 /nfs/dbraw/zinc/24/91/96/853249196.db2.gz XQUVWGLSSQVLBL-PDGJWGCVSA-N 1 0 385.552 3.568 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437562920 853271168 /nfs/dbraw/zinc/27/11/68/853271168.db2.gz ZTQOYHMEZOSDEU-HBFSDRIKSA-N 1 0 391.581 3.802 20 30 GHEDRO C=CCN1CC[C@@H]([NH+]2CCC(C)(c3ccc(Br)cc3)CC2)C1=O ZINC000440520407 853332074 /nfs/dbraw/zinc/33/20/74/853332074.db2.gz PGIFYNZOWFDXEK-QGZVFWFLSA-N 1 0 377.326 3.590 20 30 GHEDRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000517082479 853335505 /nfs/dbraw/zinc/33/55/05/853335505.db2.gz XYMMXFYXQUXSRX-UHFFFAOYSA-N 1 0 398.454 3.931 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000437643441 853355978 /nfs/dbraw/zinc/35/59/78/853355978.db2.gz ZUJLAYMPLBKDBL-COPCDDAFSA-N 1 0 385.552 3.699 20 30 GHEDRO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329962867 862462404 /nfs/dbraw/zinc/46/24/04/862462404.db2.gz SXWYXXNFBYILFE-QRFRQXIXSA-N 1 0 392.519 3.567 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000491067720 853435508 /nfs/dbraw/zinc/43/55/08/853435508.db2.gz RPJOALFQAKSGBM-SVMVAKDDSA-N 1 0 377.536 3.796 20 30 GHEDRO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000329972732 862469408 /nfs/dbraw/zinc/46/94/08/862469408.db2.gz WJDYSQZGLIHWMC-DOTOQJQBSA-N 1 0 382.508 3.928 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000518625936 853580036 /nfs/dbraw/zinc/58/00/36/853580036.db2.gz XMNFUWUIKPJRAY-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO Cc1cc(C)c(C(=O)C(C(=S)NC(C)C)[n+]2ccc(N(C)C)cc2)cc1C ZINC000055009720 853628144 /nfs/dbraw/zinc/62/81/44/853628144.db2.gz SWIZYBSDOCPJKO-UHFFFAOYSA-O 1 0 384.569 3.902 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(CC(C)C)cc2)C(=S)NCCOC)cc1 ZINC000055012589 853629346 /nfs/dbraw/zinc/62/93/46/853629346.db2.gz SKJJROFAKPWDAO-UHFFFAOYSA-O 1 0 399.580 3.910 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000439431283 853646304 /nfs/dbraw/zinc/64/63/04/853646304.db2.gz MGKJYIWDCQALNT-CQSZACIVSA-N 1 0 383.879 3.720 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000164173046 853784824 /nfs/dbraw/zinc/78/48/24/853784824.db2.gz XGIFMRBCPYOZBO-UHFFFAOYSA-N 1 0 376.497 3.618 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1O ZINC000164194024 853791486 /nfs/dbraw/zinc/79/14/86/853791486.db2.gz IOGMILBEAOWTTE-UHFFFAOYSA-N 1 0 395.503 3.683 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3nc4c(cc3C#N)CCC4)CC2)cc1 ZINC000520138967 853889150 /nfs/dbraw/zinc/88/91/50/853889150.db2.gz WHMBAXPMEANJCX-UHFFFAOYSA-N 1 0 376.504 3.775 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(O)c(OC)c1 ZINC000164312757 853906866 /nfs/dbraw/zinc/90/68/66/853906866.db2.gz YTBHUAKSZLPJTL-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO C=CC[N@H+](CC#Cc1ccccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441146575 853945612 /nfs/dbraw/zinc/94/56/12/853945612.db2.gz NOKIISSVFSBFOJ-KRWDZBQOSA-N 1 0 377.879 3.916 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000571809307 854162934 /nfs/dbraw/zinc/16/29/34/854162934.db2.gz KFGUATLRURLVSQ-CYBMUJFWSA-N 1 0 386.418 3.741 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc2c(c1)CCCC2 ZINC000186961193 862537594 /nfs/dbraw/zinc/53/75/94/862537594.db2.gz XEAIMSIVCBNWMV-UHFFFAOYSA-O 1 0 386.541 3.786 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000520406369 854176114 /nfs/dbraw/zinc/17/61/14/854176114.db2.gz BMCQUUBQXIKKQV-FUHWJXTLSA-N 1 0 398.580 3.739 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000520412988 854184341 /nfs/dbraw/zinc/18/43/41/854184341.db2.gz IIWQWDVQDCQRCV-IEBWSBKVSA-N 1 0 388.830 3.794 20 30 GHEDRO C[N@H+](CCCOc1cccc(Cl)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000550327958 854206462 /nfs/dbraw/zinc/20/64/62/854206462.db2.gz PVVRZIBDGZQWJU-HXUWFJFHSA-N 1 0 383.879 3.718 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042433 854303269 /nfs/dbraw/zinc/30/32/69/854303269.db2.gz ICTSQZARLBXZJH-GOSISDBHSA-N 1 0 377.488 3.993 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)C2)nc1 ZINC000330085377 862563094 /nfs/dbraw/zinc/56/30/94/862563094.db2.gz CWBKWDLWYVGATL-ZCNNSNEGSA-N 1 0 398.551 3.871 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)ccc1F ZINC000572479750 854517952 /nfs/dbraw/zinc/51/79/52/854517952.db2.gz HQZIITRJVNMISS-QGZVFWFLSA-N 1 0 383.442 3.755 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3coc(C4CCOCC4)n3)c2)CC1 ZINC000328751797 854527632 /nfs/dbraw/zinc/52/76/32/854527632.db2.gz REGPQSYUZXYWEI-UHFFFAOYSA-N 1 0 398.507 3.735 20 30 GHEDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000328730083 854539735 /nfs/dbraw/zinc/53/97/35/854539735.db2.gz HSWPYRWWWRQKQY-RDPSFJRHSA-N 1 0 398.547 3.966 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000328796941 854561216 /nfs/dbraw/zinc/56/12/16/854561216.db2.gz VGZAHCLDTKUQRJ-OAHLLOKOSA-N 1 0 388.537 3.985 20 30 GHEDRO CCOc1cc(Br)ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330104904 862578755 /nfs/dbraw/zinc/57/87/55/862578755.db2.gz JFRDBOMZKQGDIX-HIFRSBDPSA-N 1 0 382.302 3.801 20 30 GHEDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)N[C@H](c1ccccc1)C1CCCC1 ZINC000328846086 854572951 /nfs/dbraw/zinc/57/29/51/854572951.db2.gz VLDFOMMGRHNPBV-OQLXKQOESA-N 1 0 386.536 3.736 20 30 GHEDRO CC(C)[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1nc(C2CC2)no1 ZINC000328857065 854580085 /nfs/dbraw/zinc/58/00/85/854580085.db2.gz DCVYVXVRSRIGRD-QGZVFWFLSA-N 1 0 375.517 3.508 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000330112976 862583883 /nfs/dbraw/zinc/58/38/83/862583883.db2.gz RYGWYPSSJVTHIW-AHTIFJERSA-N 1 0 383.540 3.588 20 30 GHEDRO N#CCN1CCC([NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000588955026 854611763 /nfs/dbraw/zinc/61/17/63/854611763.db2.gz SLWVGSIDELYBOG-GOSISDBHSA-N 1 0 387.325 3.885 20 30 GHEDRO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000328957299 854616112 /nfs/dbraw/zinc/61/61/12/854616112.db2.gz ZOOZJQRMPVSZKR-TYPHKJRUSA-N 1 0 383.536 3.739 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)c2ccccc21 ZINC000588967568 854619480 /nfs/dbraw/zinc/61/94/80/854619480.db2.gz ZHDHFXKKVZDKIW-CQSZACIVSA-N 1 0 399.903 3.884 20 30 GHEDRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000328929138 854625921 /nfs/dbraw/zinc/62/59/21/854625921.db2.gz AAZUDUMUAPHOGQ-GOSISDBHSA-N 1 0 375.488 3.510 20 30 GHEDRO C[C@H](CNC(=O)CCN1C(=O)CSc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000328978022 854638644 /nfs/dbraw/zinc/63/86/44/854638644.db2.gz QNZIIERPFKYJLZ-HZPDHXFCSA-N 1 0 375.538 3.592 20 30 GHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)N3CCCC4(CCOCC4)C3)n2)C1 ZINC000330119732 862587685 /nfs/dbraw/zinc/58/76/85/862587685.db2.gz GAEHRJZKTZBDNO-MRXNPFEDSA-N 1 0 392.569 3.813 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1Br ZINC000330475491 854675185 /nfs/dbraw/zinc/67/51/85/854675185.db2.gz JLZWKVQNECTMIW-UHFFFAOYSA-N 1 0 384.318 3.904 20 30 GHEDRO COc1ccc(Br)c(CNC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000330477441 854676279 /nfs/dbraw/zinc/67/62/79/854676279.db2.gz MLQLLFMXMGFKRV-UHFFFAOYSA-N 1 0 398.345 3.582 20 30 GHEDRO C[NH+]1CCC(CNC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 ZINC000330477068 854676303 /nfs/dbraw/zinc/67/63/03/854676303.db2.gz VYGUXHMKRKDNLU-UHFFFAOYSA-N 1 0 379.932 3.649 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c(F)cc1C ZINC000330573407 854702189 /nfs/dbraw/zinc/70/21/89/854702189.db2.gz PQDDWZJBCAECTC-KSSFIOAISA-N 1 0 379.476 3.518 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)C[C@@H]1C ZINC000330126846 862597619 /nfs/dbraw/zinc/59/76/19/862597619.db2.gz MOCQADNDYFFJRJ-SZMVWBNQSA-N 1 0 393.503 3.734 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000589194650 854741171 /nfs/dbraw/zinc/74/11/71/854741171.db2.gz YUKXNUGWIHEBKC-UHFFFAOYSA-N 1 0 379.504 3.767 20 30 GHEDRO N#Cc1ccc(CCC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000056479299 854753371 /nfs/dbraw/zinc/75/33/71/854753371.db2.gz CTQPGXYWNVZCHW-UHFFFAOYSA-N 1 0 388.515 3.662 20 30 GHEDRO CN(C)[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000184533638 854800424 /nfs/dbraw/zinc/80/04/24/854800424.db2.gz UNPDZVVUVWPEID-GOSISDBHSA-N 1 0 387.409 3.617 20 30 GHEDRO CCNC(=O)N(C)c1cccc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000331179603 854822283 /nfs/dbraw/zinc/82/22/83/854822283.db2.gz GNGLSKJTSLDCGV-INIZCTEOSA-N 1 0 375.517 3.503 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186292344 854841615 /nfs/dbraw/zinc/84/16/15/854841615.db2.gz IPLDBWAFEKKKAF-QGZVFWFLSA-N 1 0 383.517 3.600 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC000669335438 855046826 /nfs/dbraw/zinc/04/68/26/855046826.db2.gz SRUAGHXVYLSKAP-ZRCGQRJVSA-N 1 0 397.567 3.717 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1CCC(C)C ZINC000669335395 855076192 /nfs/dbraw/zinc/07/61/92/855076192.db2.gz MBBJOBJWLRRDHS-ZCNNSNEGSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1Cl ZINC000589635938 855082988 /nfs/dbraw/zinc/08/29/88/855082988.db2.gz VGGXOIYJLZEUJK-FQEVSTJZSA-N 1 0 386.923 3.895 20 30 GHEDRO CC(C)COC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000054322565 855141941 /nfs/dbraw/zinc/14/19/41/855141941.db2.gz OJYCSASROSRRCW-UHFFFAOYSA-N 1 0 389.565 3.964 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)cc1 ZINC000165649682 855173853 /nfs/dbraw/zinc/17/38/53/855173853.db2.gz WKOXEZRHFPJSQW-UHFFFAOYSA-N 1 0 383.448 3.929 20 30 GHEDRO COc1ccc([C@H]2C[C@H]([NH+]3CCN(c4ccccc4C#N)CC3)CCO2)cc1 ZINC001168627778 855190540 /nfs/dbraw/zinc/19/05/40/855190540.db2.gz BVVZKKXYKGOSOO-NFBKMPQASA-N 1 0 377.488 3.609 20 30 GHEDRO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000590067240 855273675 /nfs/dbraw/zinc/27/36/75/855273675.db2.gz WWHPWPSQLMJOCX-QGOAFFKASA-N 1 0 376.504 3.762 20 30 GHEDRO N#CC1(CC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)CC1 ZINC000590286864 855347188 /nfs/dbraw/zinc/34/71/88/855347188.db2.gz KPSBJUKWSYLNJB-QGZVFWFLSA-N 1 0 379.426 3.593 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000441491609 855364752 /nfs/dbraw/zinc/36/47/52/855364752.db2.gz YJMWLOQPPRVWAJ-ZTNFWEORSA-N 1 0 386.540 3.605 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1C ZINC000441490410 855375496 /nfs/dbraw/zinc/37/54/96/855375496.db2.gz VUQQZCRVFKAWCK-OAQYLSRUSA-N 1 0 383.536 3.974 20 30 GHEDRO N#CCCCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000590507479 855440521 /nfs/dbraw/zinc/44/05/21/855440521.db2.gz QFZNWDKWAGPLRX-NRFANRHFSA-N 1 0 383.536 3.505 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000330245250 862689770 /nfs/dbraw/zinc/68/97/70/862689770.db2.gz XPZJJFUJCRZMEI-HUUCEWRRSA-N 1 0 390.281 3.634 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000330250064 862694552 /nfs/dbraw/zinc/69/45/52/862694552.db2.gz GYEPNLRGMXYQTB-MKXGPGLRSA-N 1 0 375.561 3.710 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000590803704 855595675 /nfs/dbraw/zinc/59/56/75/855595675.db2.gz JSGRJLILHHWBJF-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CN(C)CCO1 ZINC000590856149 855630656 /nfs/dbraw/zinc/63/06/56/855630656.db2.gz CHYGAZMJXCHOFJ-BEFAXECRSA-N 1 0 396.516 3.550 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000067400436 855634886 /nfs/dbraw/zinc/63/48/86/855634886.db2.gz KIYCTNLBSDFZOV-JOCHJYFZSA-N 1 0 397.906 3.986 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3snc(Cl)c3C#N)cc2F)CC1 ZINC000301207922 855639368 /nfs/dbraw/zinc/63/93/68/855639368.db2.gz UNBGNIRQIFNYMQ-UHFFFAOYSA-N 1 0 379.892 3.561 20 30 GHEDRO Cc1cc(NC(=O)c2cc3ccccc3n2CC#N)ccc1OCC[NH+](C)C ZINC000590921007 855654487 /nfs/dbraw/zinc/65/44/87/855654487.db2.gz SCYORLBMOXRGAV-UHFFFAOYSA-N 1 0 376.460 3.666 20 30 GHEDRO N#Cc1cc(NCCC[N@@H+]2CCc3ccccc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301358759 855676537 /nfs/dbraw/zinc/67/65/37/855676537.db2.gz PLDGHZWYDIAFIS-UHFFFAOYSA-N 1 0 387.443 3.875 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3cc(C#N)nc4ccccc43)C2)cc(OC)c1 ZINC000301561052 855716587 /nfs/dbraw/zinc/71/65/87/855716587.db2.gz KKLJAQVPJXGRIA-KRWDZBQOSA-N 1 0 388.471 3.810 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000542775287 855741923 /nfs/dbraw/zinc/74/19/23/855741923.db2.gz PEJQUZNWJULBGG-LJQANCHMSA-N 1 0 375.900 3.976 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+]([C@H]1CCO[C@@H](c3ccc(OC)cc3)C1)CCC2 ZINC001168645225 855772506 /nfs/dbraw/zinc/77/25/06/855772506.db2.gz RTXCTNPDWPNIAP-WMZHIEFXSA-N 1 0 397.519 3.720 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)nn1 ZINC000301947424 855785786 /nfs/dbraw/zinc/78/57/86/855785786.db2.gz XZAVTTQOSKBJCI-UHFFFAOYSA-N 1 0 379.464 3.538 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000301999749 855796381 /nfs/dbraw/zinc/79/63/81/855796381.db2.gz VODAKBDTNQXTJD-IAGOWNOFSA-N 1 0 396.510 3.880 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2nc3ccccn3c2C#N)CCOCC1)c1ccccc1 ZINC000302094819 855815626 /nfs/dbraw/zinc/81/56/26/855815626.db2.gz NORMIONMAIBZCY-KRWDZBQOSA-N 1 0 375.476 3.518 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000591265414 855871627 /nfs/dbraw/zinc/87/16/27/855871627.db2.gz AXBVNEHUTDYQPH-GOSISDBHSA-N 1 0 386.503 3.547 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)cn2)c1 ZINC000591278143 855880989 /nfs/dbraw/zinc/88/09/89/855880989.db2.gz QSCBEGFZUMPWSC-LJQANCHMSA-N 1 0 379.464 3.775 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591284626 855884071 /nfs/dbraw/zinc/88/40/71/855884071.db2.gz SBICOPHCGPESEP-LPHOPBHVSA-N 1 0 392.459 3.575 20 30 GHEDRO CCc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000591415544 855966219 /nfs/dbraw/zinc/96/62/19/855966219.db2.gz TYTDGZWHCRLTSH-LJQANCHMSA-N 1 0 390.531 3.656 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171150676 855982655 /nfs/dbraw/zinc/98/26/55/855982655.db2.gz MQBNFYXLFWVASR-UHFFFAOYSA-N 1 0 385.487 3.850 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000330293323 862748315 /nfs/dbraw/zinc/74/83/15/862748315.db2.gz HRKFROVPIDJSDJ-CYBMUJFWSA-N 1 0 383.286 3.899 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCOC(F)(F)F)cc1OC ZINC000474005744 856037949 /nfs/dbraw/zinc/03/79/49/856037949.db2.gz MTRHVXCDQNYLFX-UHFFFAOYSA-N 1 0 384.192 3.649 20 30 GHEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000140202704 856078219 /nfs/dbraw/zinc/07/82/19/856078219.db2.gz UYXVTAQVXFGEME-GOSISDBHSA-N 1 0 380.517 3.978 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000591727753 856233832 /nfs/dbraw/zinc/23/38/32/856233832.db2.gz FWBUYVZWRGLALY-XLIONFOSSA-N 1 0 392.330 3.879 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)[NH+]1CCCCC1 ZINC000573534114 856244684 /nfs/dbraw/zinc/24/46/84/856244684.db2.gz YKMOMKCXMJYPFP-XXBNENTESA-N 1 0 381.520 3.812 20 30 GHEDRO C/C=C\c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000591765903 856290180 /nfs/dbraw/zinc/29/01/80/856290180.db2.gz QFXJPSRKWKSSDL-JXCVUKRWSA-N 1 0 386.879 3.783 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1OCC1CC1 ZINC000171945063 856313204 /nfs/dbraw/zinc/31/32/04/856313204.db2.gz VCKSZULIFLFGHG-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO C[N@H+](CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000438647116 856349836 /nfs/dbraw/zinc/34/98/36/856349836.db2.gz NLPNSNKKNCDHBZ-UHFFFAOYSA-N 1 0 376.382 3.831 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000109870216 856384204 /nfs/dbraw/zinc/38/42/04/856384204.db2.gz PFFNVHGCPVSKIF-QGZVFWFLSA-N 1 0 378.476 3.626 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3)C2=O)cc1 ZINC000485343240 856388948 /nfs/dbraw/zinc/38/89/48/856388948.db2.gz GDGXWJLSUJNTRB-SFHVURJKSA-N 1 0 384.277 3.606 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000159523078 862791020 /nfs/dbraw/zinc/79/10/20/862791020.db2.gz WPXLXYNEXCGMAC-UHFFFAOYSA-N 1 0 398.551 3.743 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000765928034 856410708 /nfs/dbraw/zinc/41/07/08/856410708.db2.gz KDMUAYFOSLJJEZ-SJLPKXTDSA-N 1 0 399.922 3.846 20 30 GHEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000485378987 856434967 /nfs/dbraw/zinc/43/49/67/856434967.db2.gz DUOIXQUTPDJDAA-YADHBBJMSA-N 1 0 375.472 3.729 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000624839485 856450800 /nfs/dbraw/zinc/45/08/00/856450800.db2.gz HGAODOPWCRBBKG-YLJYHZDGSA-N 1 0 399.514 3.556 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000157541279 856475662 /nfs/dbraw/zinc/47/56/62/856475662.db2.gz QBDLLTIFIPDLTN-YYTGVUGMSA-N 1 0 387.572 3.917 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000573909098 856606337 /nfs/dbraw/zinc/60/63/37/856606337.db2.gz AYMUEODIVHVPBM-VQIMIIECSA-N 1 0 393.512 3.967 20 30 GHEDRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593883621 862815184 /nfs/dbraw/zinc/81/51/84/862815184.db2.gz RBPBYDWRSWUQML-UHFFFAOYSA-N 1 0 393.535 3.521 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000129015534 856623722 /nfs/dbraw/zinc/62/37/22/856623722.db2.gz MQNFUEQNXVRVRJ-UHFFFAOYSA-N 1 0 377.579 3.863 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000485474223 856639165 /nfs/dbraw/zinc/63/91/65/856639165.db2.gz BKLOHRMNOWGLRT-UHFFFAOYSA-N 1 0 387.593 3.645 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)CC1 ZINC000592069021 856652177 /nfs/dbraw/zinc/65/21/77/856652177.db2.gz FGRJWGFPMLEGFF-SFHVURJKSA-N 1 0 395.341 3.619 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592138859 856684605 /nfs/dbraw/zinc/68/46/05/856684605.db2.gz BGIBTJCGXWSXEP-LJQANCHMSA-N 1 0 383.517 3.612 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592185102 856684661 /nfs/dbraw/zinc/68/46/61/856684661.db2.gz VWCWXBKCDKPRCT-DLBZAZTESA-N 1 0 387.549 3.910 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592479846 856889988 /nfs/dbraw/zinc/88/99/88/856889988.db2.gz CPYGJHQHOHJEED-UHFFFAOYSA-N 1 0 395.934 3.903 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C(C)C)C2CC2)c1C#N ZINC000063492947 856978061 /nfs/dbraw/zinc/97/80/61/856978061.db2.gz NDGJNSTWIRZIAS-UHFFFAOYSA-N 1 0 382.483 3.975 20 30 GHEDRO C=CCC1([NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCOCC1 ZINC000668552481 857112146 /nfs/dbraw/zinc/11/21/46/857112146.db2.gz MZLOQPHVUTZQQJ-ROUUACIJSA-N 1 0 382.504 3.699 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000173883396 857175146 /nfs/dbraw/zinc/17/51/46/857175146.db2.gz CTSFYWYABWWUGR-IBGZPJMESA-N 1 0 399.583 3.694 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc1 ZINC000485879955 857181000 /nfs/dbraw/zinc/18/10/00/857181000.db2.gz HWRUWBPWEYBVHB-ZLNRFVROSA-N 1 0 394.540 3.990 20 30 GHEDRO C=CCn1c(-c2cn[nH]c2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000624850087 857200473 /nfs/dbraw/zinc/20/04/73/857200473.db2.gz USCDMFFHFOPMCK-XLIONFOSSA-N 1 0 391.523 3.516 20 30 GHEDRO Cc1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000246071124 857223174 /nfs/dbraw/zinc/22/31/74/857223174.db2.gz DGCGSFIURGILJV-AZUAARDMSA-N 1 0 397.544 3.540 20 30 GHEDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000282194176 857225093 /nfs/dbraw/zinc/22/50/93/857225093.db2.gz CCRPOSBLNVYCJR-GJZGRUSLSA-N 1 0 375.538 3.717 20 30 GHEDRO CN(C(=O)CSCc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093015 857310384 /nfs/dbraw/zinc/31/03/84/857310384.db2.gz JBCSWTCHEVBITR-UHFFFAOYSA-N 1 0 393.556 3.914 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000174925159 857408123 /nfs/dbraw/zinc/40/81/23/857408123.db2.gz HKCRTDYUEXSCEI-HNQUOIGGSA-N 1 0 377.463 3.835 20 30 GHEDRO C=CC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938299 857421761 /nfs/dbraw/zinc/42/17/61/857421761.db2.gz SLYPVRXCHDPJDH-AWEZNQCLSA-N 1 0 397.866 3.794 20 30 GHEDRO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(F)c1 ZINC000593222562 857439045 /nfs/dbraw/zinc/43/90/45/857439045.db2.gz JZPOPVXFKHIUBE-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000175153262 857451256 /nfs/dbraw/zinc/45/12/56/857451256.db2.gz JZNKVXLPNILKHL-OAQYLSRUSA-N 1 0 395.478 3.589 20 30 GHEDRO C[C@@H](CCc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000042928531 857460776 /nfs/dbraw/zinc/46/07/76/857460776.db2.gz NWJRKAPYQANACU-IBGZPJMESA-N 1 0 378.520 3.653 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000113528644 857547230 /nfs/dbraw/zinc/54/72/30/857547230.db2.gz CMDUBEJTBNDDLF-UHFFFAOYSA-N 1 0 383.883 3.916 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000108362991 857553875 /nfs/dbraw/zinc/55/38/75/857553875.db2.gz MVCKVFXETBTGFP-KSFYIVLOSA-N 1 0 399.514 3.523 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000521082387 857593387 /nfs/dbraw/zinc/59/33/87/857593387.db2.gz BCEXLUHNMOCODZ-ZBFHGGJFSA-N 1 0 379.426 3.836 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000624353917 857742449 /nfs/dbraw/zinc/74/24/49/857742449.db2.gz CRQGHWPMQJOPDY-RTBURBONSA-N 1 0 385.508 3.541 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CCOc3ccc(C#N)cc3)CCN2C2CC2)c1 ZINC000574416073 857793283 /nfs/dbraw/zinc/79/32/83/857793283.db2.gz IEUBPQHPPIGCMV-XZOQPEGZSA-N 1 0 377.488 3.513 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000922089947 857795311 /nfs/dbraw/zinc/79/53/11/857795311.db2.gz LIPYKENRNSRPJP-QYZOEREBSA-N 1 0 394.556 3.506 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000594020294 857839731 /nfs/dbraw/zinc/83/97/31/857839731.db2.gz GOJPTUWZLQNHCE-QGZVFWFLSA-N 1 0 388.581 3.826 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000330332501 862972905 /nfs/dbraw/zinc/97/29/05/862972905.db2.gz OZNBUPFDKGUIJF-BKBUGSPTSA-N 1 0 382.302 3.503 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000594291401 858030632 /nfs/dbraw/zinc/03/06/32/858030632.db2.gz VBHJBWNXADCQGV-VQIMIIECSA-N 1 0 398.304 3.652 20 30 GHEDRO COc1ccc(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c(OC)c1OC ZINC000521519332 858069390 /nfs/dbraw/zinc/06/93/90/858069390.db2.gz RGUVQFHULXLXCS-UHFFFAOYSA-N 1 0 394.393 3.935 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000594364633 858094350 /nfs/dbraw/zinc/09/43/50/858094350.db2.gz BZMMEYOCFXYLSE-HRAATJIYSA-N 1 0 381.545 3.878 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccncc2CC)cc1 ZINC000543052803 858108362 /nfs/dbraw/zinc/10/83/62/858108362.db2.gz SVVCPVABHLCDGP-QGZVFWFLSA-N 1 0 380.492 3.640 20 30 GHEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000442788854 858134572 /nfs/dbraw/zinc/13/45/72/858134572.db2.gz JEIDNJMYNMFZOD-FPOVZHCZSA-N 1 0 377.488 3.837 20 30 GHEDRO Cc1cc([C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCCC#N)ccc1Br ZINC000594443765 858178002 /nfs/dbraw/zinc/17/80/02/858178002.db2.gz UHYLTOBZJQGSEC-IRXDYDNUSA-N 1 0 378.314 3.832 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000594449167 858179761 /nfs/dbraw/zinc/17/97/61/858179761.db2.gz VXSDBFDUCNNSNC-MRXNPFEDSA-N 1 0 383.414 3.534 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000594496890 858192111 /nfs/dbraw/zinc/19/21/11/858192111.db2.gz YVUNSRFTGFRSHF-NRFANRHFSA-N 1 0 377.488 3.895 20 30 GHEDRO COc1cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)ccc1O ZINC000114770698 858207411 /nfs/dbraw/zinc/20/74/11/858207411.db2.gz RJXHHETWDPDPNP-UHFFFAOYSA-N 1 0 376.460 3.510 20 30 GHEDRO N#CC1(c2ccc(CNc3ccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)cc3)cc2)CC1 ZINC000594932575 858304017 /nfs/dbraw/zinc/30/40/17/858304017.db2.gz AOTGFITWRBKUNS-HXUWFJFHSA-N 1 0 388.515 3.551 20 30 GHEDRO COC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CCOCC1 ZINC000594956473 858344183 /nfs/dbraw/zinc/34/41/83/858344183.db2.gz IUGYDCNFKSNYJT-HSZRJFAPSA-N 1 0 380.488 3.668 20 30 GHEDRO COC[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CCOCC1 ZINC000594956476 858344303 /nfs/dbraw/zinc/34/43/03/858344303.db2.gz IUGYDCNFKSNYJT-QHCPKHFHSA-N 1 0 380.488 3.668 20 30 GHEDRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c(OC)c1 ZINC000594960961 858346750 /nfs/dbraw/zinc/34/67/50/858346750.db2.gz VBYWHBPAXVEYPT-MRXNPFEDSA-N 1 0 380.488 3.988 20 30 GHEDRO C[N@@H+]1C[C@@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000592879815 858347347 /nfs/dbraw/zinc/34/73/47/858347347.db2.gz DTHLYCAFWYUPQD-CVEARBPZSA-N 1 0 388.298 3.940 20 30 GHEDRO Cn1cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c2ccccc21 ZINC000594982606 858356956 /nfs/dbraw/zinc/35/69/56/858356956.db2.gz BHTBEJHJFKPRIG-UHFFFAOYSA-N 1 0 384.487 3.683 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1ccc(C#N)cc1 ZINC000595057862 858366533 /nfs/dbraw/zinc/36/65/33/858366533.db2.gz YDLMMZSSSKRDER-AWEZNQCLSA-N 1 0 386.293 3.870 20 30 GHEDRO CC(C)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1[N+](=O)[O-] ZINC000067011032 858394941 /nfs/dbraw/zinc/39/49/41/858394941.db2.gz JCWMQGGAOLBWAG-UHFFFAOYSA-N 1 0 379.464 3.743 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000595295943 858454409 /nfs/dbraw/zinc/45/44/09/858454409.db2.gz HZQRUQSIKICKQV-OAQYLSRUSA-N 1 0 392.528 3.573 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](c3cccnc3)C2)c1C#N ZINC000575043226 858502379 /nfs/dbraw/zinc/50/23/79/858502379.db2.gz PMLYCAQWRVMMBR-LJQANCHMSA-N 1 0 391.519 3.915 20 30 GHEDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115368551 858507647 /nfs/dbraw/zinc/50/76/47/858507647.db2.gz GVVCGTCNOOCNHC-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000575070663 858513073 /nfs/dbraw/zinc/51/30/73/858513073.db2.gz GMGHSEOWKNQSRH-UHFFFAOYSA-N 1 0 388.515 3.756 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC000595430100 858527872 /nfs/dbraw/zinc/52/78/72/858527872.db2.gz WJBBLRNTCMZKEU-NRFANRHFSA-N 1 0 399.498 3.956 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3ccccn3)C1)CCC2 ZINC000595498816 858545826 /nfs/dbraw/zinc/54/58/26/858545826.db2.gz BYUIKIBPJPABDE-OAHLLOKOSA-N 1 0 380.517 3.712 20 30 GHEDRO Cc1cccc2c(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000131005487 858554593 /nfs/dbraw/zinc/55/45/93/858554593.db2.gz RLJRJFIDENZWNB-UHFFFAOYSA-N 1 0 386.499 3.625 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCCn2ccnc2C)cc1OC ZINC000069754077 858566036 /nfs/dbraw/zinc/56/60/36/858566036.db2.gz QHXUKDPXUYPPLX-UHFFFAOYSA-N 1 0 394.313 3.707 20 30 GHEDRO COC[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000595615880 858632088 /nfs/dbraw/zinc/63/20/88/858632088.db2.gz NVQSJHCVSHWXFH-HSZRJFAPSA-N 1 0 378.516 3.918 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]3c3ccc(F)cc3)CC2)c1 ZINC000595653844 858639195 /nfs/dbraw/zinc/63/91/95/858639195.db2.gz QFTFTFWCOIHVPB-JOCHJYFZSA-N 1 0 392.478 3.818 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000115755475 858650847 /nfs/dbraw/zinc/65/08/47/858650847.db2.gz LDDVSUUSMGRQLR-YLJYHZDGSA-N 1 0 386.540 3.746 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000159829895 863049052 /nfs/dbraw/zinc/04/90/52/863049052.db2.gz LXINPYBEUMVBMG-AWEZNQCLSA-N 1 0 383.883 3.954 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCCc3nc(-c4ccccc4)no3)CCOCC2)c1 ZINC000595772567 858666399 /nfs/dbraw/zinc/66/63/99/858666399.db2.gz JALRNYVUPMKPTL-UHFFFAOYSA-N 1 0 388.471 3.836 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000595746531 858673115 /nfs/dbraw/zinc/67/31/15/858673115.db2.gz BMWHYOZNOJVREW-GOSISDBHSA-N 1 0 391.519 3.568 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595791531 858677615 /nfs/dbraw/zinc/67/76/15/858677615.db2.gz VKPJOTZDDMEJNZ-KNQAVFIVSA-N 1 0 399.535 3.613 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595789397 858688950 /nfs/dbraw/zinc/68/89/50/858688950.db2.gz MTMQESLSSUFTSF-ALKREAHSSA-N 1 0 375.900 3.820 20 30 GHEDRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000593130659 858735257 /nfs/dbraw/zinc/73/52/57/858735257.db2.gz BOXDGWRBPLVLPF-UHFFFAOYSA-N 1 0 393.447 3.561 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000115994017 858774876 /nfs/dbraw/zinc/77/48/76/858774876.db2.gz RMFCGFWOWWXFHO-MSOLQXFVSA-N 1 0 383.442 3.530 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000183625509 858783481 /nfs/dbraw/zinc/78/34/81/858783481.db2.gz DMNZJRGLFOTHMU-OXJNMPFZSA-N 1 0 379.460 3.825 20 30 GHEDRO C[C@@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000596153871 858795290 /nfs/dbraw/zinc/79/52/90/858795290.db2.gz XRGXXEVKGFUBSJ-KRWDZBQOSA-N 1 0 376.504 3.539 20 30 GHEDRO COc1cccc([C@H]2[C@@H](Nc3nc4ncccc4cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000596186024 858801592 /nfs/dbraw/zinc/80/15/92/858801592.db2.gz IQUCEUZJJIWRBE-SFTDATJTSA-N 1 0 385.471 3.900 20 30 GHEDRO Cc1cc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596230886 858823254 /nfs/dbraw/zinc/82/32/54/858823254.db2.gz DKHWFJXYXOTQDO-JOCHJYFZSA-N 1 0 376.460 3.877 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596423270 858892824 /nfs/dbraw/zinc/89/28/24/858892824.db2.gz KQEKNWYYSNJTMX-SFHVURJKSA-N 1 0 394.425 3.563 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000596441477 858898214 /nfs/dbraw/zinc/89/82/14/858898214.db2.gz ONVRFTSGADCODD-INIZCTEOSA-N 1 0 383.521 3.600 20 30 GHEDRO CC(C)(C)[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000593182756 858913405 /nfs/dbraw/zinc/91/34/05/858913405.db2.gz CPFSZOHUBAKEHS-KRWDZBQOSA-N 1 0 396.457 3.799 20 30 GHEDRO CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CC[N@H+](CC)C1 ZINC000596457166 858915173 /nfs/dbraw/zinc/91/51/73/858915173.db2.gz KXJYLHBUNXEUGI-KRWDZBQOSA-N 1 0 383.521 3.554 20 30 GHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]2CCCO2)c1 ZINC000068254352 858952614 /nfs/dbraw/zinc/95/26/14/858952614.db2.gz SXMUEJBIKNYKFJ-JOCHJYFZSA-N 1 0 393.487 3.577 20 30 GHEDRO CN1CC[NH+](Cc2ccccc2-c2cccc(C3(C#N)CCOCC3)c2)CC1 ZINC000596638710 858991654 /nfs/dbraw/zinc/99/16/54/858991654.db2.gz BFVWCYLVNYEKSE-UHFFFAOYSA-N 1 0 375.516 3.673 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160545637 858998940 /nfs/dbraw/zinc/99/89/40/858998940.db2.gz LVSDEPIJFJQDQF-JOCHJYFZSA-N 1 0 389.503 3.677 20 30 GHEDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000596727958 859058096 /nfs/dbraw/zinc/05/80/96/859058096.db2.gz MVQZYFBZIXTRPL-IBGZPJMESA-N 1 0 396.466 3.882 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(F)c2c1-n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001168714555 859081392 /nfs/dbraw/zinc/08/13/92/859081392.db2.gz WJEUSJQKBXIAMY-UHFFFAOYSA-N 1 0 392.825 3.648 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000185585038 859097884 /nfs/dbraw/zinc/09/78/84/859097884.db2.gz UUAHAOLPHILPSV-GHTZIAJQSA-N 1 0 377.488 3.704 20 30 GHEDRO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cnc1C(F)(F)F ZINC000550541582 859102358 /nfs/dbraw/zinc/10/23/58/859102358.db2.gz XIFMBENKQAYOKN-QGZVFWFLSA-N 1 0 394.441 3.747 20 30 GHEDRO N#Cc1cccc(C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000923190452 859111307 /nfs/dbraw/zinc/11/13/07/859111307.db2.gz HGAHXOIECVIUGV-QFIPXVFZSA-N 1 0 389.499 3.502 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000764073568 859177826 /nfs/dbraw/zinc/17/78/26/859177826.db2.gz ZVGQRHLMXDSPGA-HXUWFJFHSA-N 1 0 377.488 3.542 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443655676 859203267 /nfs/dbraw/zinc/20/32/67/859203267.db2.gz ZKGPHXKTUMMQHK-JKSUJKDBSA-N 1 0 398.482 3.877 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CC1(C#N)CCCCC1)CCO2 ZINC000922249246 859207226 /nfs/dbraw/zinc/20/72/26/859207226.db2.gz HLDUDMLNRXCLFZ-GOSISDBHSA-N 1 0 391.556 3.999 20 30 GHEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1I ZINC000466360930 859224619 /nfs/dbraw/zinc/22/46/19/859224619.db2.gz LNXUXEWIBLSWIR-UHFFFAOYSA-N 1 0 380.204 3.900 20 30 GHEDRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000597025919 859242929 /nfs/dbraw/zinc/24/29/29/859242929.db2.gz JTQSKWFDRXQRJB-UHFFFAOYSA-N 1 0 392.499 3.868 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCc3cccc(Cl)c3)CC2)c1 ZINC000593299015 859317609 /nfs/dbraw/zinc/31/76/09/859317609.db2.gz GERGVJIKBNPPBI-UHFFFAOYSA-N 1 0 396.922 3.718 20 30 GHEDRO COCCN(CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000069072267 859329272 /nfs/dbraw/zinc/32/92/72/859329272.db2.gz GESMNQIBMWKASI-QHCPKHFHSA-N 1 0 391.515 3.543 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(-c2ccnn2C)c1 ZINC000597183012 859342380 /nfs/dbraw/zinc/34/23/80/859342380.db2.gz HXIOZJMVPNTRNL-UHFFFAOYSA-N 1 0 377.517 3.651 20 30 GHEDRO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483412928 859347328 /nfs/dbraw/zinc/34/73/28/859347328.db2.gz SVDWKVDMUMEIQU-AUUYWEPGSA-N 1 0 381.442 3.767 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2(CN(C)C)CCC2)cc1OC ZINC000466411758 859379480 /nfs/dbraw/zinc/37/94/80/859379480.db2.gz GGYYARKQOZHERN-UHFFFAOYSA-N 1 0 383.330 3.596 20 30 GHEDRO C[C@@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593318775 859415680 /nfs/dbraw/zinc/41/56/80/859415680.db2.gz HHUYFWATGMBWRU-KRWDZBQOSA-N 1 0 394.494 3.765 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000557013974 881424358 /nfs/dbraw/zinc/42/43/58/881424358.db2.gz MDCMDXLPSOHBRK-UHFFFAOYSA-N 1 0 384.568 3.876 20 30 GHEDRO COc1cc(Cl)cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593347133 859516369 /nfs/dbraw/zinc/51/63/69/859516369.db2.gz FAULGXZYBBSWLY-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO COc1cccc(Cl)c1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593351137 859526798 /nfs/dbraw/zinc/52/67/98/859526798.db2.gz INPHXHGQHFBEPG-UHFFFAOYSA-N 1 0 397.906 3.544 20 30 GHEDRO CC[C@H](Oc1cccc(C)c1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352827 859536809 /nfs/dbraw/zinc/53/68/09/859536809.db2.gz FGAJBDMNXPWUBB-QHCPKHFHSA-N 1 0 391.515 3.805 20 30 GHEDRO Cc1cc(OCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1Cl ZINC000593353100 859537795 /nfs/dbraw/zinc/53/77/95/859537795.db2.gz OALBXIGPPXOPIN-UHFFFAOYSA-N 1 0 397.906 3.680 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(C(F)(F)F)CCCC3)CC2)c1 ZINC000593349544 859542134 /nfs/dbraw/zinc/54/21/34/859542134.db2.gz QPXVTOGKUAHPLB-UHFFFAOYSA-N 1 0 379.426 3.762 20 30 GHEDRO COC[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001170369225 881433524 /nfs/dbraw/zinc/43/35/24/881433524.db2.gz UOOJSAHWMNWQIP-LVIWNVNYSA-N 1 0 387.524 3.520 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3SCCc4ccccc43)CC2)c1 ZINC000593355453 859544561 /nfs/dbraw/zinc/54/45/61/859544561.db2.gz XQUYSEYGRFGLCK-QFIPXVFZSA-N 1 0 391.540 3.669 20 30 GHEDRO CCc1ccccc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355449 859544663 /nfs/dbraw/zinc/54/46/63/859544663.db2.gz XMLPQJQFCCSOHS-UHFFFAOYSA-N 1 0 376.504 3.584 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(OC4CCC4)cc3)CC2)c1 ZINC000593353418 859548071 /nfs/dbraw/zinc/54/80/71/859548071.db2.gz LTIXVPPDXYOFFS-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO CCC(CC)n1nccc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593354530 859555005 /nfs/dbraw/zinc/55/50/05/859555005.db2.gz QPNWUJPCSHIOTK-UHFFFAOYSA-N 1 0 379.508 3.510 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCOc3ccccc3F)CC2)c1 ZINC000593355184 859559020 /nfs/dbraw/zinc/55/90/20/859559020.db2.gz MRRMNFRZDIROFH-UHFFFAOYSA-N 1 0 395.478 3.637 20 30 GHEDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000483727605 859582707 /nfs/dbraw/zinc/58/27/07/859582707.db2.gz PEFORAOZASPUJO-KBRIMQKVSA-N 1 0 375.538 3.763 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472753 859625369 /nfs/dbraw/zinc/62/53/69/859625369.db2.gz QABNPFFCLQLZBU-OALUTQOASA-N 1 0 395.551 3.805 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CCc2ccccc2)cc1 ZINC000611181065 859634490 /nfs/dbraw/zinc/63/44/90/859634490.db2.gz WXHGCPZVBPYDGH-GOTSBHOMSA-N 1 0 378.516 3.980 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)nc1 ZINC000611255185 859667770 /nfs/dbraw/zinc/66/77/70/859667770.db2.gz ZMRLJSLKDDHWER-UHFFFAOYSA-N 1 0 385.515 3.916 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000601943666 859668454 /nfs/dbraw/zinc/66/84/54/859668454.db2.gz YHZBJXFICNOZJO-XJKSGUPXSA-N 1 0 383.521 3.537 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000611350132 859713699 /nfs/dbraw/zinc/71/36/99/859713699.db2.gz BUFNTJHCLLBLJJ-RTWAWAEBSA-N 1 0 383.536 3.689 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000611387077 859731609 /nfs/dbraw/zinc/73/16/09/859731609.db2.gz ZALPUFZUCLHVSV-ZDUSSCGKSA-N 1 0 376.287 3.875 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000611389350 859733308 /nfs/dbraw/zinc/73/33/08/859733308.db2.gz TZBZMWRUKFYGHK-QGZVFWFLSA-N 1 0 376.460 3.554 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000611391227 859741557 /nfs/dbraw/zinc/74/15/57/859741557.db2.gz FQAIRQMKJSSJEH-FGZHOGPDSA-N 1 0 375.472 3.843 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(OCc3ccccc3C#N)c1)C2 ZINC000597716660 859760634 /nfs/dbraw/zinc/76/06/34/859760634.db2.gz RIYVKYSJGVUMJD-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+]C2(CO)CCCCC2)sc2c1CCCCC2 ZINC000611463071 859764584 /nfs/dbraw/zinc/76/45/84/859764584.db2.gz SNFFWYLXISVVBV-UHFFFAOYSA-N 1 0 375.538 3.502 20 30 GHEDRO C#CCC1(O)CC[NH+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000895669915 859794392 /nfs/dbraw/zinc/79/43/92/859794392.db2.gz LJDYCUDIXVUMFJ-UHFFFAOYSA-N 1 0 381.520 3.664 20 30 GHEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000484101775 859805988 /nfs/dbraw/zinc/80/59/88/859805988.db2.gz RFWHBUAZQSDMKX-JOCHJYFZSA-N 1 0 376.500 3.780 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000036801554 859829662 /nfs/dbraw/zinc/82/96/62/859829662.db2.gz UQDZOCOBBFUHKJ-UHFFFAOYSA-N 1 0 386.499 3.707 20 30 GHEDRO COC(=O)C1(C)CCC([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001168764785 859841814 /nfs/dbraw/zinc/84/18/14/859841814.db2.gz QPKOYQRQRXKJJJ-QUMKFVLLSA-N 1 0 395.503 3.816 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466526973 859867738 /nfs/dbraw/zinc/86/77/38/859867738.db2.gz LEEBMWFIOOGHTH-APWZRJJASA-N 1 0 378.476 3.741 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000597859228 859876085 /nfs/dbraw/zinc/87/60/85/859876085.db2.gz BRDNQPKUKQGZQN-QGZVFWFLSA-N 1 0 378.476 3.596 20 30 GHEDRO CN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474365124 859918756 /nfs/dbraw/zinc/91/87/56/859918756.db2.gz GSHPVCHZFHHTOQ-LJQANCHMSA-N 1 0 379.508 3.853 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000123424578 859959836 /nfs/dbraw/zinc/95/98/36/859959836.db2.gz YSKWHNPCSMGZEC-UHFFFAOYSA-N 1 0 398.894 3.726 20 30 GHEDRO CC(C)OC(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000895829310 859992854 /nfs/dbraw/zinc/99/28/54/859992854.db2.gz POZPYFRWBZVNPP-UHFFFAOYSA-N 1 0 380.492 3.627 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000484448615 860005620 /nfs/dbraw/zinc/00/56/20/860005620.db2.gz VSYVLRGUFZQNLD-REWPJTCUSA-N 1 0 387.487 3.726 20 30 GHEDRO CN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510028 860048961 /nfs/dbraw/zinc/04/89/61/860048961.db2.gz JYUSLVDAFCWNJA-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO N#Cc1cccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000602517649 860070817 /nfs/dbraw/zinc/07/08/17/860070817.db2.gz IMADXBWUYNHFCU-UHFFFAOYSA-N 1 0 386.293 3.554 20 30 GHEDRO CC(=O)N(C)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000092538838 860071861 /nfs/dbraw/zinc/07/18/61/860071861.db2.gz DQLVVQHGQKQJAC-UHFFFAOYSA-N 1 0 377.488 3.580 20 30 GHEDRO Cc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593512011 860077458 /nfs/dbraw/zinc/07/74/58/860077458.db2.gz QRLWJRMUMIXSKT-UHFFFAOYSA-N 1 0 382.533 3.734 20 30 GHEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000593514422 860103609 /nfs/dbraw/zinc/10/36/09/860103609.db2.gz WVWUFDWVYFEILA-ZPMCFJSWSA-N 1 0 380.536 3.743 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000602554052 860107159 /nfs/dbraw/zinc/10/71/59/860107159.db2.gz ZATVWGSVCUOJJY-LPHOPBHVSA-N 1 0 395.469 3.968 20 30 GHEDRO CCOC(=O)c1sc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1C ZINC000593516433 860118618 /nfs/dbraw/zinc/11/86/18/860118618.db2.gz YQZLSYSDYTYOKE-UHFFFAOYSA-N 1 0 384.505 3.576 20 30 GHEDRO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)CC1CCCCC1 ZINC000484569139 860122666 /nfs/dbraw/zinc/12/26/66/860122666.db2.gz KBVJAIRGAWMGOZ-UHFFFAOYSA-N 1 0 387.915 3.928 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000598266425 860196629 /nfs/dbraw/zinc/19/66/29/860196629.db2.gz XUWQTAKCCAKNFI-KRWDZBQOSA-N 1 0 378.476 3.596 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000459340814 860205850 /nfs/dbraw/zinc/20/58/50/860205850.db2.gz JCXWKYBKDLGWKY-XLIONFOSSA-N 1 0 378.476 3.951 20 30 GHEDRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000484633018 860206701 /nfs/dbraw/zinc/20/67/01/860206701.db2.gz CCYKIMNNKKDQSV-UNMCSNQZSA-N 1 0 398.528 3.620 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000668370189 860255041 /nfs/dbraw/zinc/25/50/41/860255041.db2.gz PTVPXGPLTXIAAF-UHFFFAOYSA-N 1 0 395.341 3.547 20 30 GHEDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727830851 860283845 /nfs/dbraw/zinc/28/38/45/860283845.db2.gz RAPOOWODWNYWDG-SFHVURJKSA-N 1 0 386.455 3.841 20 30 GHEDRO N#CCC1(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000602821207 860313510 /nfs/dbraw/zinc/31/35/10/860313510.db2.gz MTSKFYHWDPVFQP-ZDUSSCGKSA-N 1 0 377.204 3.785 20 30 GHEDRO C=CCC1(NC(=O)Nc2ccccc2OCC[NH+](CC)CC)CCOCC1 ZINC000665434610 860365539 /nfs/dbraw/zinc/36/55/39/860365539.db2.gz HSDCCIKVJQSTLB-UHFFFAOYSA-N 1 0 375.513 3.654 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNc2nc(Cl)c(C#N)s2)CCOCC1 ZINC000896109055 860378697 /nfs/dbraw/zinc/37/86/97/860378697.db2.gz ZCHGCNYSCOFLPO-UHFFFAOYSA-N 1 0 376.913 3.761 20 30 GHEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000598539367 860383341 /nfs/dbraw/zinc/38/33/41/860383341.db2.gz HWXAVMFWANJQOD-JOCHJYFZSA-N 1 0 393.487 3.533 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1C#N ZINC000602977232 860384922 /nfs/dbraw/zinc/38/49/22/860384922.db2.gz ZIULJDSOBXWRED-FXAWDEMLSA-N 1 0 393.491 3.571 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000555291210 860401344 /nfs/dbraw/zinc/40/13/44/860401344.db2.gz BYCZMYSURHKOJZ-FCHUYYIVSA-N 1 0 382.529 3.784 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N2CCCC2)o1 ZINC000552252188 860406813 /nfs/dbraw/zinc/40/68/13/860406813.db2.gz DWMCIUBNWICAJM-JOCHJYFZSA-N 1 0 378.520 3.855 20 30 GHEDRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598591065 860434997 /nfs/dbraw/zinc/43/49/97/860434997.db2.gz ZAUBKTIBFRXNJY-CQSZACIVSA-N 1 0 386.323 3.945 20 30 GHEDRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593921 860436942 /nfs/dbraw/zinc/43/69/42/860436942.db2.gz CUBDUEUVOSFOOZ-LEWJYISDSA-N 1 0 386.536 3.736 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000598597354 860440063 /nfs/dbraw/zinc/44/00/63/860440063.db2.gz XFOPHBIKQDDJBF-HOTGVXAUSA-N 1 0 398.288 3.729 20 30 GHEDRO CC[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000921557113 860466678 /nfs/dbraw/zinc/46/66/78/860466678.db2.gz LBTLEMMSAQFCFN-LJQANCHMSA-N 1 0 383.517 3.862 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@@H](c2sccc2Br)C2CCCCC2)n1 ZINC000552339688 860511277 /nfs/dbraw/zinc/51/12/77/860511277.db2.gz DHOVPSOUQZUZCJ-OAHLLOKOSA-N 1 0 394.342 3.885 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@H](CCSc2ccccc2)c2ccc(F)cc2)n1 ZINC000552338723 860511350 /nfs/dbraw/zinc/51/13/50/860511350.db2.gz NXRKIZNGZPIEOQ-LJQANCHMSA-N 1 0 381.480 3.802 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000598699663 860512666 /nfs/dbraw/zinc/51/26/66/860512666.db2.gz HMAFQLGQHLGTHH-WOJBJXKFSA-N 1 0 383.561 3.738 20 30 GHEDRO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)c1 ZINC000598728385 860532269 /nfs/dbraw/zinc/53/22/69/860532269.db2.gz RKWGCCSQLBTJHF-KRWDZBQOSA-N 1 0 384.476 3.886 20 30 GHEDRO COC(=O)CCCN(CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000155629103 860559485 /nfs/dbraw/zinc/55/94/85/860559485.db2.gz QYOVBPWKQRNLFO-UHFFFAOYSA-N 1 0 399.516 3.631 20 30 GHEDRO N#CC1(CC(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCOCC1 ZINC000598844911 860625482 /nfs/dbraw/zinc/62/54/82/860625482.db2.gz OBAGQLGVSXPGOB-UHFFFAOYSA-N 1 0 389.927 3.869 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC#Cc3ccccc3Cl)C2)ccn1 ZINC000856587531 881561184 /nfs/dbraw/zinc/56/11/84/881561184.db2.gz ZEPKJOIVQKLNAI-NRFANRHFSA-N 1 0 383.923 3.692 20 30 GHEDRO Cc1c(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cnn1CCC#N ZINC000896293064 860633168 /nfs/dbraw/zinc/63/31/68/860633168.db2.gz ADKUZJAUIOAUHT-FXAWDEMLSA-N 1 0 381.524 3.601 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000896361860 860672876 /nfs/dbraw/zinc/67/28/76/860672876.db2.gz PEZURJHHJZQLHE-KSEOMHKRSA-N 1 0 377.488 3.677 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922857293 860679705 /nfs/dbraw/zinc/67/97/05/860679705.db2.gz REODEHFDGUFNHI-UHFFFAOYSA-N 1 0 389.499 3.598 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156174483 860703538 /nfs/dbraw/zinc/70/35/38/860703538.db2.gz XCCGNWYGXLSHSZ-AVRDEDQJSA-N 1 0 376.504 3.753 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474743584 860706261 /nfs/dbraw/zinc/70/62/61/860706261.db2.gz BJBXDMQHQXGGGH-LJQANCHMSA-N 1 0 378.476 3.695 20 30 GHEDRO COc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1OC1CC1 ZINC000599006716 860724700 /nfs/dbraw/zinc/72/47/00/860724700.db2.gz YWSJBAQFGRHQSK-UHFFFAOYSA-N 1 0 378.472 3.904 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(C#N)c2C)CC1 ZINC000509061357 860738810 /nfs/dbraw/zinc/73/88/10/860738810.db2.gz RTDWQMZSJZQVJC-UHFFFAOYSA-N 1 0 382.895 3.914 20 30 GHEDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001170410124 881577549 /nfs/dbraw/zinc/57/75/49/881577549.db2.gz DWBFJJXSLLJHQX-OAQYLSRUSA-N 1 0 391.515 3.862 20 30 GHEDRO Cc1nc(-c2c[nH]c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2)cs1 ZINC000125801129 860780827 /nfs/dbraw/zinc/78/08/27/860780827.db2.gz HTFYLTQECMUAFA-UHFFFAOYSA-N 1 0 393.516 3.522 20 30 GHEDRO Cc1ccc2occ(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000599086883 860788999 /nfs/dbraw/zinc/78/89/99/860788999.db2.gz ABQPYGBJRUWUOO-UHFFFAOYSA-N 1 0 375.472 3.746 20 30 GHEDRO CC(C)(C)OC(=O)[C@](C)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000593681213 860806987 /nfs/dbraw/zinc/80/69/87/860806987.db2.gz XDTXBNSJRPGADK-HSZRJFAPSA-N 1 0 390.487 3.595 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc(Cl)cc4c3OCC4)CC2)c1 ZINC000593693120 860867797 /nfs/dbraw/zinc/86/77/97/860867797.db2.gz PRBYQZCTMAHKJK-UHFFFAOYSA-N 1 0 381.907 3.901 20 30 GHEDRO COc1ccc(C[NH+](C)C)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000603589938 860876033 /nfs/dbraw/zinc/87/60/33/860876033.db2.gz QTARLZPVMFOKGQ-UHFFFAOYSA-N 1 0 398.532 3.680 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(F)ccc2OCC(F)(F)F)CC1 ZINC000730125338 860890426 /nfs/dbraw/zinc/89/04/26/860890426.db2.gz TVMYZVOPTYKXBC-UHFFFAOYSA-N 1 0 375.366 3.539 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000329017970 860949956 /nfs/dbraw/zinc/94/99/56/860949956.db2.gz KUEVOZKCCNUMMG-ZHALLVOQSA-N 1 0 376.545 3.745 20 30 GHEDRO [NH2+]=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)Nc1ccccn1 ZINC000170904010 860960042 /nfs/dbraw/zinc/96/00/42/860960042.db2.gz JBGPYSGHNRWLIX-SFHVURJKSA-N 1 0 377.517 3.669 20 30 GHEDRO [NH2+]=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)Nc1ccccn1 ZINC000170910428 860968573 /nfs/dbraw/zinc/96/85/73/860968573.db2.gz UXNXJXKMIOXHPX-UHFFFAOYSA-N 1 0 378.398 3.575 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000170909940 860969097 /nfs/dbraw/zinc/96/90/97/860969097.db2.gz HWKDYPNJEUGAAW-UHFFFAOYSA-N 1 0 389.381 3.827 20 30 GHEDRO C[C@H](CNC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000329073379 860995260 /nfs/dbraw/zinc/99/52/60/860995260.db2.gz AWQHWXGFQVDUJX-KPFFTGBYSA-N 1 0 377.504 3.527 20 30 GHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599283579 861009545 /nfs/dbraw/zinc/00/95/45/861009545.db2.gz ZHHQGXMZYBHPBC-UHFFFAOYSA-N 1 0 384.520 3.809 20 30 GHEDRO CC1CC[NH+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000603692408 861027166 /nfs/dbraw/zinc/02/71/66/861027166.db2.gz UFQSJNZJUVQSRO-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1COc2ccccc21 ZINC000185600501 861054684 /nfs/dbraw/zinc/05/46/84/861054684.db2.gz SOURIBAUFCLBAQ-HNAYVOBHSA-N 1 0 383.879 3.741 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c2ccc(F)cc2)cc1 ZINC000599328521 861067996 /nfs/dbraw/zinc/06/79/96/861067996.db2.gz ZMHIYJYYKRSIQO-RBBKRZOGSA-N 1 0 398.478 3.585 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1OC ZINC000623450223 861079497 /nfs/dbraw/zinc/07/94/97/861079497.db2.gz YXXLVSJXCOTMSA-KRWDZBQOSA-N 1 0 392.927 3.794 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)CCOCC1 ZINC000599348573 861086101 /nfs/dbraw/zinc/08/61/01/861086101.db2.gz AAWUMBYBLKIXME-PZJWPPBQSA-N 1 0 398.478 3.607 20 30 GHEDRO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000329181116 861112393 /nfs/dbraw/zinc/11/23/93/861112393.db2.gz OCQOFSGBVOJDIU-QZTJIDSGSA-N 1 0 397.441 3.637 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000329190515 861122509 /nfs/dbraw/zinc/12/25/09/861122509.db2.gz QBVXEPJXGUXZDX-FQEVSTJZSA-N 1 0 395.551 3.730 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CCOCC1 ZINC000599362958 861127837 /nfs/dbraw/zinc/12/78/37/861127837.db2.gz TYBBBAZBOUQMJL-CTNGQTDRSA-N 1 0 399.922 3.680 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)cc1OC ZINC000623534212 861145620 /nfs/dbraw/zinc/14/56/20/861145620.db2.gz CQZLJSKJZPBKLO-ZIFCJYIRSA-N 1 0 391.899 3.618 20 30 GHEDRO Cc1nc([C@@H]2CCCN(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)n[nH]1 ZINC000329228253 861168616 /nfs/dbraw/zinc/16/86/16/861168616.db2.gz AJTHQZFKCTXRQI-MGPUTAFESA-N 1 0 381.524 3.889 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=S)Nc2ccccc2C#N)CCOCC1 ZINC000899564512 861181306 /nfs/dbraw/zinc/18/13/06/861181306.db2.gz JKZVGTCAKZDGLK-UHFFFAOYSA-N 1 0 394.544 3.526 20 30 GHEDRO C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)n[nH]2)c1C ZINC001299307179 863243920 /nfs/dbraw/zinc/24/39/20/863243920.db2.gz WACIWWVFTFPCRV-UHFFFAOYSA-N 1 0 396.470 3.529 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000282693143 863280127 /nfs/dbraw/zinc/28/01/27/863280127.db2.gz IQCIURBEUBAEAC-QFIPXVFZSA-N 1 0 391.515 3.548 20 30 GHEDRO Cc1c([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cnn1-c1ccc(F)cc1 ZINC000182996174 863437825 /nfs/dbraw/zinc/43/78/25/863437825.db2.gz IKQZYDVJJNVEAV-MRXNPFEDSA-N 1 0 397.498 3.655 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000593961867 863514394 /nfs/dbraw/zinc/51/43/94/863514394.db2.gz NKIQNXHGZARJNT-OAQYLSRUSA-N 1 0 397.906 3.763 20 30 GHEDRO CCc1csc(CC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000594019045 863755943 /nfs/dbraw/zinc/75/59/43/863755943.db2.gz DNBKZVSCJIUOGO-UHFFFAOYSA-N 1 0 388.562 3.922 20 30 GHEDRO Oc1ccc(/C=N/[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(O)c1O ZINC000733903913 863847846 /nfs/dbraw/zinc/84/78/46/863847846.db2.gz SLRDAKACHVZDNI-MJGXDETHSA-N 1 0 380.366 3.516 20 30 GHEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCc2ccccc2C1 ZINC000734002052 863913732 /nfs/dbraw/zinc/91/37/32/863913732.db2.gz KIVIYHPHPREHPQ-PMACEKPBSA-N 1 0 382.467 3.713 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1C#N ZINC000554273000 864025858 /nfs/dbraw/zinc/02/58/58/864025858.db2.gz ABISXMPJFPCZLR-RXVVDRJESA-N 1 0 397.567 3.589 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CC2)nc1 ZINC000184082702 864073212 /nfs/dbraw/zinc/07/32/12/864073212.db2.gz JKWMLQGYYGMVGL-UHFFFAOYSA-N 1 0 386.839 3.995 20 30 GHEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCC(F)(F)CC1 ZINC000554310913 864111831 /nfs/dbraw/zinc/11/18/31/864111831.db2.gz OAZCQFFQWFZXCG-UHFFFAOYSA-N 1 0 388.380 3.683 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)CCC2CCOCC2)ccc1Cl ZINC000120701564 881732140 /nfs/dbraw/zinc/73/21/40/881732140.db2.gz LCVQHWMHAXEELY-UHFFFAOYSA-N 1 0 377.916 3.644 20 30 GHEDRO C#CC[N@@H+](CCC(=O)NCCCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000734836826 864469948 /nfs/dbraw/zinc/46/99/48/864469948.db2.gz FCMHNSHDRJWJBM-KRWDZBQOSA-N 1 0 393.325 3.514 20 30 GHEDRO CSCc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000586053429 864627630 /nfs/dbraw/zinc/62/76/30/864627630.db2.gz NUDIRTRJLYLPPI-UHFFFAOYSA-N 1 0 379.529 3.816 20 30 GHEDRO CCOCCC[N@@H+]1CCC(N=Nc2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000735228837 864672655 /nfs/dbraw/zinc/67/26/55/864672655.db2.gz IZQGXPMWBYSRCM-AWEZNQCLSA-N 1 0 391.903 3.926 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735222009 864690993 /nfs/dbraw/zinc/69/09/93/864690993.db2.gz WPDQJZYRFMWWRR-RBBKRZOGSA-N 1 0 378.472 3.779 20 30 GHEDRO Cc1c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000480474728 864718888 /nfs/dbraw/zinc/71/88/88/864718888.db2.gz DBAPJKIBKIMEJN-UHFFFAOYSA-N 1 0 375.432 3.970 20 30 GHEDRO N#CCC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000132907867 881796963 /nfs/dbraw/zinc/79/69/63/881796963.db2.gz NJYRWISCQAZZOO-VXKWHMMOSA-N 1 0 376.504 3.995 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(CCc4ccc(O)cc4)CC3)C2=O)cc1 ZINC000025937489 864810489 /nfs/dbraw/zinc/81/04/89/864810489.db2.gz GAJDMVQJKNGVDV-HSZRJFAPSA-N 1 0 389.499 3.714 20 30 GHEDRO Cc1ccc(-c2nnc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000025934091 864810924 /nfs/dbraw/zinc/81/09/24/864810924.db2.gz VIZDTGQYEXOVIM-UHFFFAOYSA-N 1 0 387.487 3.625 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000608061552 864953541 /nfs/dbraw/zinc/95/35/41/864953541.db2.gz YEJMJYVLJWMJDF-ZBFHGGJFSA-N 1 0 397.357 3.985 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000594155431 865228971 /nfs/dbraw/zinc/22/89/71/865228971.db2.gz SZZFSDDJQGBOBG-OAQYLSRUSA-N 1 0 399.416 3.855 20 30 GHEDRO CN1CC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000554957910 865243305 /nfs/dbraw/zinc/24/33/05/865243305.db2.gz FZPKYJMTBRZUAL-UONOGXRCSA-N 1 0 388.327 3.514 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000594211097 865384617 /nfs/dbraw/zinc/38/46/17/865384617.db2.gz HENPQVRPUYKZER-FDDCHVKYSA-N 1 0 391.515 3.699 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000455959880 865468515 /nfs/dbraw/zinc/46/85/15/865468515.db2.gz VVCSIDJOKXMUMC-VXKWHMMOSA-N 1 0 397.567 3.668 20 30 GHEDRO Cc1cc2ncn(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2cc1C ZINC000738121360 865495814 /nfs/dbraw/zinc/49/58/14/865495814.db2.gz WZLGUTGZQIRKLV-UHFFFAOYSA-N 1 0 387.487 3.833 20 30 GHEDRO C=CCc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1O ZINC000121302477 865541249 /nfs/dbraw/zinc/54/12/49/865541249.db2.gz HAWGMYUHCFPUSP-UHFFFAOYSA-N 1 0 382.504 3.598 20 30 GHEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555132538 865552517 /nfs/dbraw/zinc/55/25/17/865552517.db2.gz WFPNLGCPSKIASK-KKXDTOCCSA-N 1 0 381.923 3.673 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000608812209 865718303 /nfs/dbraw/zinc/71/83/03/865718303.db2.gz IZQHWARYDLIFLE-SFHVURJKSA-N 1 0 395.503 3.972 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1C#N ZINC000174409237 865771276 /nfs/dbraw/zinc/77/12/76/865771276.db2.gz VIIQJPZAVYDWDZ-UHFFFAOYSA-N 1 0 386.455 3.528 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000739998671 865822858 /nfs/dbraw/zinc/82/28/58/865822858.db2.gz IJUJLKZHZTWDBM-VGOFRKELSA-N 1 0 377.488 3.588 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)c2)CC1 ZINC000594335174 865875277 /nfs/dbraw/zinc/87/52/77/865875277.db2.gz KEQKEJGPSZEWSA-LJQANCHMSA-N 1 0 390.531 3.906 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740443678 865911341 /nfs/dbraw/zinc/91/13/41/865911341.db2.gz JGQYTSDNTZYGNH-KRWDZBQOSA-N 1 0 382.533 3.818 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000609056209 865940195 /nfs/dbraw/zinc/94/01/95/865940195.db2.gz KTLFGFKDZBPMRN-UHFFFAOYSA-N 1 0 381.476 3.675 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000072718977 865980122 /nfs/dbraw/zinc/98/01/22/865980122.db2.gz RJLAFEHUCSOGNI-IBGZPJMESA-N 1 0 378.520 3.545 20 30 GHEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000740886927 866077865 /nfs/dbraw/zinc/07/78/65/866077865.db2.gz HCGOKSWCHRUKBM-WMZOPIPTSA-N 1 0 380.492 3.802 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1OC ZINC000534095370 866125189 /nfs/dbraw/zinc/12/51/89/866125189.db2.gz ZWGLMWCSMWXQFK-WBVHZDCISA-N 1 0 382.298 3.680 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000508490440 866149255 /nfs/dbraw/zinc/14/92/55/866149255.db2.gz BWEHWSHHRBHIAO-CEWLAPEOSA-N 1 0 395.551 3.662 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508491683 866318384 /nfs/dbraw/zinc/31/83/84/866318384.db2.gz UMOUQMGQXQGDLE-FQEVSTJZSA-N 1 0 395.551 3.670 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1C ZINC000304519722 866500703 /nfs/dbraw/zinc/50/07/03/866500703.db2.gz XCKPZOXBSURKNG-UHFFFAOYSA-N 1 0 378.520 3.511 20 30 GHEDRO [NH2+]=C(NCCOc1ccccc1C(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000304738715 866511518 /nfs/dbraw/zinc/51/15/18/866511518.db2.gz AWZXAMNPJSLPGU-HNNXBMFYSA-N 1 0 379.382 3.512 20 30 GHEDRO Cc1ccc(-n2c(N=NC3CC[N@H+](C)[C@H](C)C3)nc3ccccc3c2=O)c(C)c1 ZINC000741461812 866529682 /nfs/dbraw/zinc/52/96/82/866529682.db2.gz CRRCDIQDCXPVFZ-QGZVFWFLSA-N 1 0 389.503 3.885 20 30 GHEDRO [NH2+]=C(NCCc1ccc(Br)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000262543683 866614636 /nfs/dbraw/zinc/61/46/36/866614636.db2.gz TXBNCWAOZJZZDI-UHFFFAOYSA-N 1 0 390.281 3.580 20 30 GHEDRO C[C@@H]1CN(CCOC2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000553025476 866644279 /nfs/dbraw/zinc/64/42/79/866644279.db2.gz AAJDJOAQRBBJCT-WOJBJXKFSA-N 1 0 399.579 3.578 20 30 GHEDRO CSC1(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000262548433 866648027 /nfs/dbraw/zinc/64/80/27/866648027.db2.gz WPZTXBAIUYXDMZ-LLVKDONJSA-N 1 0 376.353 3.871 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000523126090 866675504 /nfs/dbraw/zinc/67/55/04/866675504.db2.gz DWVDQNDWGITKTG-HDICACEKSA-N 1 0 392.503 3.531 20 30 GHEDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000102061109 866729195 /nfs/dbraw/zinc/72/91/95/866729195.db2.gz COMSUDHBUDBEJF-UHFFFAOYSA-N 1 0 380.492 3.793 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000553079221 866774170 /nfs/dbraw/zinc/77/41/70/866774170.db2.gz FGFQCLMJWZJFMK-UHFFFAOYSA-N 1 0 377.444 3.551 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000553096549 866789195 /nfs/dbraw/zinc/78/91/95/866789195.db2.gz TVLMVNACEDIMBN-FQEVSTJZSA-N 1 0 382.504 3.589 20 30 GHEDRO CC[N@H+](CCCC(=O)N[C@H](C#N)c1ccccc1)[C@H](C)Cc1ccc(O)cc1 ZINC001183046467 912214342 /nfs/dbraw/zinc/21/43/42/912214342.db2.gz SBXBCQAAWFSCHM-XMSQKQJNSA-N 1 0 379.504 3.806 20 30 GHEDRO C[C@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccsc2S1 ZINC000190615472 882017353 /nfs/dbraw/zinc/01/73/53/882017353.db2.gz RDNPPOATTSICEQ-KKXDTOCCSA-N 1 0 383.542 3.936 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1 ZINC000523286866 867024708 /nfs/dbraw/zinc/02/47/08/867024708.db2.gz TXXIUHORPCGICX-OAQYLSRUSA-N 1 0 389.455 3.763 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)c2occc2COc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000523289076 867028386 /nfs/dbraw/zinc/02/83/86/867028386.db2.gz XSESLFXYGAFCGW-HXOBKFHXSA-N 1 0 395.503 3.971 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](CCO)C(C)(C)C)c1C#N ZINC000183666922 867186565 /nfs/dbraw/zinc/18/65/65/867186565.db2.gz LWOQJTZQYVYPMH-LJQANCHMSA-N 1 0 388.556 3.807 20 30 GHEDRO C=CC[C@@H]1[N@H+](C[C@H](O)COc2ccc(C(C)=O)cc2OC)CCCC1(C)C ZINC000444773936 867214419 /nfs/dbraw/zinc/21/44/19/867214419.db2.gz GXRHYBPTBPCPSN-RXVVDRJESA-N 1 0 375.509 3.704 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C#N ZINC000742367559 867240676 /nfs/dbraw/zinc/24/06/76/867240676.db2.gz YQZBMFICHLOCST-HOTGVXAUSA-N 1 0 383.467 3.609 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000050032913 882063574 /nfs/dbraw/zinc/06/35/74/882063574.db2.gz JZLQRCZESAYAKC-SFHVURJKSA-N 1 0 376.504 3.518 20 30 GHEDRO COc1ccc(C2([NH2+]Cc3ccc(N(C)CCC#N)cc3)CCOCC2)cc1 ZINC000742372570 867267868 /nfs/dbraw/zinc/26/78/68/867267868.db2.gz DGDZDPIGSSPTEO-UHFFFAOYSA-N 1 0 379.504 3.841 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)nc1 ZINC000428770109 867308781 /nfs/dbraw/zinc/30/87/81/867308781.db2.gz DWICFYOLCWNGCG-QGZVFWFLSA-N 1 0 377.366 3.548 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C12CCCCC2 ZINC000429794551 867312688 /nfs/dbraw/zinc/31/26/88/867312688.db2.gz XIANMKQYZSJVFD-SJORKVTESA-N 1 0 375.538 3.893 20 30 GHEDRO N#CC1(NC(=O)CCCOc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479287990 867488148 /nfs/dbraw/zinc/48/81/48/867488148.db2.gz WXRKKQNXYRMKIC-UHFFFAOYSA-N 1 0 395.478 3.659 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)ccc1C#N ZINC000440614803 867540306 /nfs/dbraw/zinc/54/03/06/867540306.db2.gz NTMXFIVUHKSPPN-UHFFFAOYSA-N 1 0 378.501 3.935 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)ccc1C#N ZINC000440625807 867584741 /nfs/dbraw/zinc/58/47/41/867584741.db2.gz MKZFXQLYHGBYFH-GOSISDBHSA-N 1 0 377.410 3.978 20 30 GHEDRO N#CC1(F)CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000479374963 867650172 /nfs/dbraw/zinc/65/01/72/867650172.db2.gz LNHDOQVJHYCUPO-KRWDZBQOSA-N 1 0 378.879 3.514 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c(O)c1 ZINC000743044850 867778157 /nfs/dbraw/zinc/77/81/57/867778157.db2.gz RZNUNIQJBXDDOJ-NTHRQWSTSA-N 1 0 391.515 3.814 20 30 GHEDRO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)Cc1cccc(C(N)=O)c1 ZINC000920489917 882130305 /nfs/dbraw/zinc/13/03/05/882130305.db2.gz PQJLQDRJJCOVSR-UHFFFAOYSA-N 1 0 385.467 3.868 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000479536131 867967644 /nfs/dbraw/zinc/96/76/44/867967644.db2.gz BTCGVJRESYQPCF-UGSOOPFHSA-N 1 0 389.377 3.913 20 30 GHEDRO COc1cccc([C@@H](C/N=C/c2cc(Br)ccc2O)[NH+](C)C)c1 ZINC000005292376 882162626 /nfs/dbraw/zinc/16/26/26/882162626.db2.gz DLTYRQIQDXKOKD-MLHZQLSASA-N 1 0 377.282 3.885 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2CSc2nc(C)cs2)CC1 ZINC000743489835 868235790 /nfs/dbraw/zinc/23/57/90/868235790.db2.gz KLMDULPFDXIIPE-UHFFFAOYSA-N 1 0 399.585 3.961 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](C)C1 ZINC000122142358 868312403 /nfs/dbraw/zinc/31/24/03/868312403.db2.gz RMGOWRCPGJURRK-WZONZLPQSA-N 1 0 391.515 3.940 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457489024 868351262 /nfs/dbraw/zinc/35/12/62/868351262.db2.gz OBFJXGMFSYEURJ-UHFFFAOYSA-N 1 0 386.883 3.835 20 30 GHEDRO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000524006337 868418176 /nfs/dbraw/zinc/41/81/76/868418176.db2.gz FWBXAYRFWXOHOV-SFHVURJKSA-N 1 0 379.479 3.925 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](c2ccccc2F)C1)C(C)C ZINC000524178820 868662605 /nfs/dbraw/zinc/66/26/05/868662605.db2.gz WOZJOKLZDIPWJG-RTWAWAEBSA-N 1 0 389.515 3.607 20 30 GHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000554077827 868712167 /nfs/dbraw/zinc/71/21/67/868712167.db2.gz RMMRDMXEZMZHOW-JTQLQIEISA-N 1 0 378.325 3.621 20 30 GHEDRO CC(C)C[N@H+](CCc1ccc(F)cc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744392148 868786315 /nfs/dbraw/zinc/78/63/15/868786315.db2.gz VGRDLFKJCAFDFN-UHFFFAOYSA-N 1 0 392.478 3.760 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C2)C1 ZINC000554142873 868817048 /nfs/dbraw/zinc/81/70/48/868817048.db2.gz XKEQQCSKTJYTOD-JOCHJYFZSA-N 1 0 377.513 3.877 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc1 ZINC000744746069 869043600 /nfs/dbraw/zinc/04/36/00/869043600.db2.gz JCVLXAMLGPQWBV-KRWDZBQOSA-N 1 0 381.476 3.640 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000744843227 869105067 /nfs/dbraw/zinc/10/50/67/869105067.db2.gz AQZMJCLTUXXAHD-JOCHJYFZSA-N 1 0 379.479 3.808 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445997639 869268661 /nfs/dbraw/zinc/26/86/61/869268661.db2.gz ZWNRGBHQHMWZRG-ZTFGCOKTSA-N 1 0 381.442 3.939 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000539613902 869448978 /nfs/dbraw/zinc/44/89/78/869448978.db2.gz WMVDNMUEGBXXRZ-HSZRJFAPSA-N 1 0 394.519 3.531 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000525123900 870024495 /nfs/dbraw/zinc/02/44/95/870024495.db2.gz GVYLLSKEUCBINB-CTNGQTDRSA-N 1 0 391.515 3.895 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)cc1 ZINC000920762686 882365351 /nfs/dbraw/zinc/36/53/51/882365351.db2.gz WLOMMZYAAMDPCX-IBGZPJMESA-N 1 0 398.304 3.966 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000462809711 870105800 /nfs/dbraw/zinc/10/58/00/870105800.db2.gz GXCSKTLJUPLBPG-PXNSSMCTSA-N 1 0 380.488 3.510 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508864308 870266793 /nfs/dbraw/zinc/26/67/93/870266793.db2.gz NNPOIXRZKXKIRK-HXUWFJFHSA-N 1 0 390.535 3.532 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000538700710 870334108 /nfs/dbraw/zinc/33/41/08/870334108.db2.gz ZVDOSFAMQVIZJD-NHCUHLMSSA-N 1 0 395.890 3.928 20 30 GHEDRO COc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1OCCCC#N ZINC000092662401 882410044 /nfs/dbraw/zinc/41/00/44/882410044.db2.gz BRPJFDPRFLZDJV-HXUWFJFHSA-N 1 0 388.508 3.538 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000141678894 870498042 /nfs/dbraw/zinc/49/80/42/870498042.db2.gz OGZAFAAUJRTENM-OAQYLSRUSA-N 1 0 396.579 3.889 20 30 GHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(C(=O)OC)c1C#N ZINC000538781566 870599019 /nfs/dbraw/zinc/59/90/19/870599019.db2.gz KEJOAFIEWLEBPE-FQEVSTJZSA-N 1 0 387.867 3.731 20 30 GHEDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000441141177 870623618 /nfs/dbraw/zinc/62/36/18/870623618.db2.gz RITDHKFGJKIFMI-FQEVSTJZSA-N 1 0 394.471 3.673 20 30 GHEDRO CC[N@H+](CCC1CCN(CC(=O)Nc2sccc2C#N)CC1)CC(C)C ZINC000540198589 870707140 /nfs/dbraw/zinc/70/71/40/870707140.db2.gz HUXWJQCIJWVZSP-UHFFFAOYSA-N 1 0 376.570 3.638 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccc(Br)c1)C2 ZINC001203767287 870720147 /nfs/dbraw/zinc/72/01/47/870720147.db2.gz RPKFMTYZCXPAIX-IBGZPJMESA-N 1 0 377.326 3.982 20 30 GHEDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000128060927 870779606 /nfs/dbraw/zinc/77/96/06/870779606.db2.gz WAHNGUARKSCHAF-SJORKVTESA-N 1 0 395.503 3.663 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000249265567 870798141 /nfs/dbraw/zinc/79/81/41/870798141.db2.gz IVASAARPEZDZMF-VDZJLULYSA-N 1 0 379.426 3.740 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000525505431 870806413 /nfs/dbraw/zinc/80/64/13/870806413.db2.gz NZCCTRMFISSENT-QRWLVFNGSA-N 1 0 398.894 3.623 20 30 GHEDRO C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000455918502 870841765 /nfs/dbraw/zinc/84/17/65/870841765.db2.gz KYKWTCDITIRSPW-MRXNPFEDSA-N 1 0 395.482 3.526 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000181378069 870945559 /nfs/dbraw/zinc/94/55/59/870945559.db2.gz COTYSRJEPYXWDU-AWEZNQCLSA-N 1 0 396.878 3.628 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000069470771 870960533 /nfs/dbraw/zinc/96/05/33/870960533.db2.gz KODWQQGVXNVHJN-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2ccc(F)cc2)N2CCOCC2)c(O)c1 ZINC000920944967 882465491 /nfs/dbraw/zinc/46/54/91/882465491.db2.gz XTUHPKQOSOODJW-TYGBLEFESA-N 1 0 399.510 3.870 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000428804861 871038059 /nfs/dbraw/zinc/03/80/59/871038059.db2.gz NUPKDHMROBKBGE-KRWDZBQOSA-N 1 0 377.366 3.548 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000181483643 871079736 /nfs/dbraw/zinc/07/97/36/871079736.db2.gz XVACOTWUVPDRNK-VWLOTQADSA-N 1 0 388.559 3.777 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1Br ZINC000540368924 871091786 /nfs/dbraw/zinc/09/17/86/871091786.db2.gz BAVBAPFZNMJCDC-LXIYXOSZSA-N 1 0 396.329 3.551 20 30 GHEDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181569223 871182962 /nfs/dbraw/zinc/18/29/62/871182962.db2.gz YXXOVALKFLAHPW-MRXNPFEDSA-N 1 0 385.458 3.858 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CCCC#N)cc3)CC2)c1 ZINC000461899817 871189771 /nfs/dbraw/zinc/18/97/71/871189771.db2.gz JTXYUMLWXRECNG-UHFFFAOYSA-N 1 0 376.504 3.950 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508870951 871222215 /nfs/dbraw/zinc/22/22/15/871222215.db2.gz CRZTWRDUKCMKSA-LJQANCHMSA-N 1 0 395.551 3.895 20 30 GHEDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000191489921 882488139 /nfs/dbraw/zinc/48/81/39/882488139.db2.gz CNZYDPXHLSSSTR-KRWDZBQOSA-N 1 0 397.544 3.627 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000091233407 871264896 /nfs/dbraw/zinc/26/48/96/871264896.db2.gz RGEBOSXHQPTMEO-UHFFFAOYSA-N 1 0 378.520 3.738 20 30 GHEDRO N#CC1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000145646043 871321887 /nfs/dbraw/zinc/32/18/87/871321887.db2.gz AEADYXJOBVRWII-OAQYLSRUSA-N 1 0 386.442 3.667 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001193897553 871384896 /nfs/dbraw/zinc/38/48/96/871384896.db2.gz DKOUEXCOYVHWGX-IAGOWNOFSA-N 1 0 383.517 3.537 20 30 GHEDRO CCCCCCCOC(=O)N1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001194003170 871425868 /nfs/dbraw/zinc/42/58/68/871425868.db2.gz MHHOMSFOMXMXJI-NHCUHLMSSA-N 1 0 389.540 3.711 20 30 GHEDRO CCCCCCCOC(=O)N1CC[C@@H](OC)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC001193995326 871452341 /nfs/dbraw/zinc/45/23/41/871452341.db2.gz LTZXLJCEKUUUDS-PWRODBHTSA-N 1 0 389.540 3.710 20 30 GHEDRO COc1cccc(O[C@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181828002 871524643 /nfs/dbraw/zinc/52/46/43/871524643.db2.gz HOKDOYYMVIRTHF-GOSISDBHSA-N 1 0 379.504 3.588 20 30 GHEDRO C[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cccc(C#N)c1 ZINC000462069629 871566581 /nfs/dbraw/zinc/56/65/81/871566581.db2.gz SKNIQHKCPVQFHE-MOPGFXCFSA-N 1 0 391.515 3.678 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)Cc2ccccc2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000776984496 882529567 /nfs/dbraw/zinc/52/95/67/882529567.db2.gz TVIDIDSOCDRSLY-CTNGQTDRSA-N 1 0 375.516 3.712 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000539279417 871628474 /nfs/dbraw/zinc/62/84/74/871628474.db2.gz PPAYBZCSSXEQTE-SFHVURJKSA-N 1 0 378.314 3.642 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000463399757 871629174 /nfs/dbraw/zinc/62/91/74/871629174.db2.gz JVLSJFGHHUCNET-VDGAXYAQSA-N 1 0 387.524 3.512 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC001169554654 871633878 /nfs/dbraw/zinc/63/38/78/871633878.db2.gz MAGGDRNLVDXMFL-RBBKRZOGSA-N 1 0 389.499 3.707 20 30 GHEDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC001169592930 871653926 /nfs/dbraw/zinc/65/39/26/871653926.db2.gz KWXBOULWPQBFLD-QFIPXVFZSA-N 1 0 387.524 3.508 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000525893950 871678732 /nfs/dbraw/zinc/67/87/32/871678732.db2.gz GOENRCDZZPCNDI-IBGZPJMESA-N 1 0 391.515 3.691 20 30 GHEDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)cc2)c1 ZINC000525893987 871680449 /nfs/dbraw/zinc/68/04/49/871680449.db2.gz OTFGIFAOTRZCLR-GOSISDBHSA-N 1 0 377.488 3.787 20 30 GHEDRO C#CC[N@@H+](CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C1CC1 ZINC001194435836 871716507 /nfs/dbraw/zinc/71/65/07/871716507.db2.gz PCMYLUGEBBUWNR-QFIPXVFZSA-N 1 0 382.529 3.502 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000525946241 871743357 /nfs/dbraw/zinc/74/33/57/871743357.db2.gz NLRODOBXKLOOPP-LJQANCHMSA-N 1 0 381.520 3.583 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169784649 871877658 /nfs/dbraw/zinc/87/76/58/871877658.db2.gz NNBSOZJWHUEXMN-YADHBBJMSA-N 1 0 389.499 3.706 20 30 GHEDRO CCCCCCCCOC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001194738354 871900521 /nfs/dbraw/zinc/90/05/21/871900521.db2.gz XGAGRWYQEXQICD-UHFFFAOYSA-N 1 0 376.545 3.834 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000463516758 871963142 /nfs/dbraw/zinc/96/31/42/871963142.db2.gz NVRCEGSSIOYHLV-UHFFFAOYSA-N 1 0 394.515 3.902 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000429718542 872004331 /nfs/dbraw/zinc/00/43/31/872004331.db2.gz NGOGMLSMPNFCAH-UHFFFAOYSA-N 1 0 377.838 3.737 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618797154 872004591 /nfs/dbraw/zinc/00/45/91/872004591.db2.gz DBUGSXQYZMSRBC-VXKWHMMOSA-N 1 0 376.504 3.928 20 30 GHEDRO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)o1 ZINC000857826926 882572065 /nfs/dbraw/zinc/57/20/65/882572065.db2.gz JGOPPTMINJLNEJ-UHFFFAOYSA-N 1 0 394.519 3.641 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618841561 872051695 /nfs/dbraw/zinc/05/16/95/872051695.db2.gz YXGZKDNCZKNHLV-OAQYLSRUSA-N 1 0 376.504 3.755 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000447649060 872064139 /nfs/dbraw/zinc/06/41/39/872064139.db2.gz SLHZWNLSKOEJHS-UHFFFAOYSA-N 1 0 399.560 3.800 20 30 GHEDRO C#CCCC[NH+]1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000766912272 872069159 /nfs/dbraw/zinc/06/91/59/872069159.db2.gz AWJVDZRXAXVYIN-OAHLLOKOSA-N 1 0 392.425 3.847 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1OC ZINC000093321376 872078637 /nfs/dbraw/zinc/07/86/37/872078637.db2.gz XUDQTXBIAYTHNB-UHFFFAOYSA-N 1 0 386.536 3.921 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000447676416 872081364 /nfs/dbraw/zinc/08/13/64/872081364.db2.gz QTCXFWDHHVTSCC-WZONZLPQSA-N 1 0 391.563 3.692 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000618893669 872116586 /nfs/dbraw/zinc/11/65/86/872116586.db2.gz VGWWBFFZBWWOKP-KNQAVFIVSA-N 1 0 377.463 3.713 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000526303721 872223325 /nfs/dbraw/zinc/22/33/25/872223325.db2.gz MDSUIVZJVILFKF-LBPRGKRZSA-N 1 0 388.924 3.985 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccccc3)C3CCOCC3)CC2)nc1 ZINC000794171376 882603252 /nfs/dbraw/zinc/60/32/52/882603252.db2.gz YWCGTPDNSCAXAZ-QHCPKHFHSA-N 1 0 376.504 3.680 20 30 GHEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478024728 872367434 /nfs/dbraw/zinc/36/74/34/872367434.db2.gz LJCHMYKBGSAZFS-FGZHOGPDSA-N 1 0 382.529 3.990 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000921125412 882618913 /nfs/dbraw/zinc/61/89/13/882618913.db2.gz MNJNSTKJZQCOBM-QGZVFWFLSA-N 1 0 380.330 3.667 20 30 GHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000619271778 872498841 /nfs/dbraw/zinc/49/88/41/872498841.db2.gz NNXWBHNZVGEXQA-OAQYLSRUSA-N 1 0 378.520 3.546 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000463764386 872525751 /nfs/dbraw/zinc/52/57/51/872525751.db2.gz GNYRQINRHRUVJJ-RBUKOAKNSA-N 1 0 386.536 3.987 20 30 GHEDRO C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(C#N)c1 ZINC000619364235 872576539 /nfs/dbraw/zinc/57/65/39/872576539.db2.gz IXWLGXCGCYXBIL-TZYSRNFLSA-N 1 0 394.441 3.724 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540992940 872689852 /nfs/dbraw/zinc/68/98/52/872689852.db2.gz COHHJHJAXVLFCT-APWZRJJASA-N 1 0 392.906 3.807 20 30 GHEDRO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)nn1-c1cccc(C#N)c1 ZINC000857927491 882644378 /nfs/dbraw/zinc/64/43/78/882644378.db2.gz RAJSXNBEYVJOKZ-OAQYLSRUSA-N 1 0 399.498 3.576 20 30 GHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000619624054 872806173 /nfs/dbraw/zinc/80/61/73/872806173.db2.gz XZZQTRUERSSQHC-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541075322 872861344 /nfs/dbraw/zinc/86/13/44/872861344.db2.gz RTXMBDUOSLDZQA-SBUREZEXSA-N 1 0 399.498 3.805 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC(N3CCc4ccccc43)CC2)c(C#N)c1C ZINC000619722863 872922348 /nfs/dbraw/zinc/92/23/48/872922348.db2.gz HZNHQFLLGIZSAK-MRXNPFEDSA-N 1 0 392.503 3.622 20 30 GHEDRO CC[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000619754604 872963659 /nfs/dbraw/zinc/96/36/59/872963659.db2.gz FTKMQDDNNPDONA-FQEVSTJZSA-N 1 0 396.922 3.848 20 30 GHEDRO C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619760513 872972955 /nfs/dbraw/zinc/97/29/55/872972955.db2.gz UZJKIINAUYCKNR-OXJNMPFZSA-N 1 0 396.922 3.921 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1Cl ZINC000619780962 872995112 /nfs/dbraw/zinc/99/51/12/872995112.db2.gz MLBIKSVCXFXHOS-SFHVURJKSA-N 1 0 385.870 3.879 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000527327418 873015780 /nfs/dbraw/zinc/01/57/80/873015780.db2.gz TWPIKJTYBZZJCS-UHFFFAOYSA-N 1 0 379.460 3.594 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000619826562 873059242 /nfs/dbraw/zinc/05/92/42/873059242.db2.gz BLDCKGRFWBAQSZ-SFHVURJKSA-N 1 0 388.943 3.865 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619827070 873059548 /nfs/dbraw/zinc/05/95/48/873059548.db2.gz SCSBNDDOYXVZAZ-IBGZPJMESA-N 1 0 382.895 3.628 20 30 GHEDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000768342992 873245006 /nfs/dbraw/zinc/24/50/06/873245006.db2.gz WDZOLXXHNFAJTK-OAQYLSRUSA-N 1 0 393.487 3.848 20 30 GHEDRO C=CC[N@H+](Cc1ccnn1-c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000448336094 873253310 /nfs/dbraw/zinc/25/33/10/873253310.db2.gz ZHJSEAUEUXHOLR-SFHVURJKSA-N 1 0 385.475 3.597 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000768359661 873256468 /nfs/dbraw/zinc/25/64/68/873256468.db2.gz JZGHQMSUEKAUBH-HXUWFJFHSA-N 1 0 375.513 3.553 20 30 GHEDRO N#Cc1nnc2ccccc2c1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768528662 873362808 /nfs/dbraw/zinc/36/28/08/873362808.db2.gz TWBYOBCHMNDVJL-UHFFFAOYSA-N 1 0 398.514 3.646 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000768515948 873376328 /nfs/dbraw/zinc/37/63/28/873376328.db2.gz RXQZWXMWJFVUQP-MRXNPFEDSA-N 1 0 388.599 3.608 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000541330149 873379269 /nfs/dbraw/zinc/37/92/69/873379269.db2.gz NWJFDIIFXNEXRT-QGZVFWFLSA-N 1 0 385.533 3.634 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001197358955 873735297 /nfs/dbraw/zinc/73/52/97/873735297.db2.gz KGUQYCRRTQWKKH-JOCHJYFZSA-N 1 0 394.563 3.784 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1F ZINC000192099496 882761838 /nfs/dbraw/zinc/76/18/38/882761838.db2.gz VBDROLBZWLNSFV-INIZCTEOSA-N 1 0 384.430 3.870 20 30 GHEDRO COc1ccccc1C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000541632688 874002034 /nfs/dbraw/zinc/00/20/34/874002034.db2.gz KRKQTKCIORMHLH-LJQANCHMSA-N 1 0 376.460 3.974 20 30 GHEDRO COc1ccc(C[NH+]2CCC(NC(=S)Nc3cccc(C#N)c3)CC2)cc1 ZINC001197724982 874008943 /nfs/dbraw/zinc/00/89/43/874008943.db2.gz ZCDRZMCUBOAURO-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000528152375 874097346 /nfs/dbraw/zinc/09/73/46/874097346.db2.gz ZFXXOGJIMBHCCX-FQEVSTJZSA-N 1 0 396.535 3.518 20 30 GHEDRO C#C[C@H]([NH2+]CCCC(=O)Nc1c(CC)ccc(Cl)c1CC)[C@@H]1CCCO1 ZINC000775796140 874112126 /nfs/dbraw/zinc/11/21/26/874112126.db2.gz TYKDCBTVEMVKBL-OALUTQOASA-N 1 0 376.928 3.954 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000464567421 874121442 /nfs/dbraw/zinc/12/14/42/874121442.db2.gz GUYXLUYXNMDBRQ-GOSISDBHSA-N 1 0 381.476 3.534 20 30 GHEDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)[nH]1 ZINC000541763567 874231162 /nfs/dbraw/zinc/23/11/62/874231162.db2.gz ROSNEOFJDWVASE-FQEVSTJZSA-N 1 0 387.487 3.943 20 30 GHEDRO O[C@@H](C[NH2+]Cc1cccc(F)c1OC(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC001203244210 874631406 /nfs/dbraw/zinc/63/14/06/874631406.db2.gz VVXAHQZUVRXUSK-ZDUSSCGKSA-N 1 0 383.263 3.965 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)c1C#N ZINC000464877351 874703405 /nfs/dbraw/zinc/70/34/05/874703405.db2.gz JDVCROKEFUCSJX-RTBURBONSA-N 1 0 394.494 3.834 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)cc1 ZINC000528577747 874734914 /nfs/dbraw/zinc/73/49/14/874734914.db2.gz LXXLLLPMVNBTCN-HXUWFJFHSA-N 1 0 380.492 3.587 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=S)Nc1ccccc1C#N ZINC000770576984 874765432 /nfs/dbraw/zinc/76/54/32/874765432.db2.gz AYVUPBLPFOUMTA-UHFFFAOYSA-N 1 0 379.533 3.889 20 30 GHEDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000528661588 874849035 /nfs/dbraw/zinc/84/90/35/874849035.db2.gz VPQCYFLIIUVQJN-BFUOFWGJSA-N 1 0 380.517 3.961 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1Cl ZINC000528673798 874867613 /nfs/dbraw/zinc/86/76/13/874867613.db2.gz YDMWRCGBENBEBJ-GOSISDBHSA-N 1 0 398.894 3.625 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000770802495 874876999 /nfs/dbraw/zinc/87/69/99/874876999.db2.gz ITLOFPAUFAAXPT-AWEZNQCLSA-N 1 0 376.547 3.999 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001199260927 874879710 /nfs/dbraw/zinc/87/97/10/874879710.db2.gz SLODIXZHGJSGRH-HXUWFJFHSA-N 1 0 380.492 3.845 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000542151743 875043760 /nfs/dbraw/zinc/04/37/60/875043760.db2.gz NMZZBJIGVMDYRX-HZPDHXFCSA-N 1 0 390.487 3.975 20 30 GHEDRO COc1ccc(C[C@@H](CO)C[NH2+]CC(C)(C)CCC#N)cc1Br ZINC000449600658 875123130 /nfs/dbraw/zinc/12/31/30/875123130.db2.gz OWRSEDCHKXRVOR-OAHLLOKOSA-N 1 0 383.330 3.528 20 30 GHEDRO C=CCC1(C[NH2+]Cc2ccc(OCC(=O)N3CCCC3)c(OC)c2)CCCC1 ZINC000449601601 875125621 /nfs/dbraw/zinc/12/56/21/875125621.db2.gz AQMGZVIYIHAXJW-UHFFFAOYSA-N 1 0 386.536 3.923 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465189461 875273669 /nfs/dbraw/zinc/27/36/69/875273669.db2.gz VUXFGMDUTGMWAX-ZWKOTPCHSA-N 1 0 393.487 3.685 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001201040609 875485813 /nfs/dbraw/zinc/48/58/13/875485813.db2.gz AVIOTGUALYKGHJ-QGZVFWFLSA-N 1 0 379.464 3.599 20 30 GHEDRO N#Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1Br ZINC000449870688 875549551 /nfs/dbraw/zinc/54/95/51/875549551.db2.gz NFLJGPCUOZELCQ-QGZVFWFLSA-N 1 0 398.304 3.715 20 30 GHEDRO C=CC(C)(C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000449896997 875604936 /nfs/dbraw/zinc/60/49/36/875604936.db2.gz SSFIYTHVPJKTPW-UHFFFAOYSA-N 1 0 395.341 3.621 20 30 GHEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000491408018 875675162 /nfs/dbraw/zinc/67/51/62/875675162.db2.gz DQHFOBKLLUZHJE-MRXNPFEDSA-N 1 0 380.282 3.513 20 30 GHEDRO CCCCCCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001201631080 875774450 /nfs/dbraw/zinc/77/44/50/875774450.db2.gz LSZNMHBOGMKBDI-QFIPXVFZSA-N 1 0 379.589 3.720 20 30 GHEDRO COCc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529212492 875837496 /nfs/dbraw/zinc/83/74/96/875837496.db2.gz JISRYCZMFGXLIF-IEBWSBKVSA-N 1 0 392.503 3.737 20 30 GHEDRO COCc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529212490 875837747 /nfs/dbraw/zinc/83/77/47/875837747.db2.gz JISRYCZMFGXLIF-HKUYNNGSSA-N 1 0 392.503 3.737 20 30 GHEDRO CC[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCCCC2 ZINC000271879934 875841674 /nfs/dbraw/zinc/84/16/74/875841674.db2.gz PETSQNVXEPXYJS-OAQYLSRUSA-N 1 0 392.551 3.581 20 30 GHEDRO CCCCCCCC[NH+]1CCC2(CC1)c1ncc(-c3cnn(C)c3)n1CCN2C ZINC001201814558 875871961 /nfs/dbraw/zinc/87/19/61/875871961.db2.gz PUTJIEVWBNFPQN-UHFFFAOYSA-N 1 0 398.599 3.881 20 30 GHEDRO CCCCCCCC[N@@H+]1CCO[C@@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001201813937 875872072 /nfs/dbraw/zinc/87/20/72/875872072.db2.gz LEDIPJJFZAMBRH-OAQYLSRUSA-N 1 0 395.613 3.715 20 30 GHEDRO CCCCCCCC[NH+]1CCC2(CC1)CN(Cc1cccc(C)n1)C(=O)CO2 ZINC001201826306 875892525 /nfs/dbraw/zinc/89/25/25/875892525.db2.gz RHTFSDCZNIENFC-UHFFFAOYSA-N 1 0 387.568 3.944 20 30 GHEDRO CCCCCCCCC[N@H+]1CCc2nc(C(=O)N3CCOCC3)sc2CC1 ZINC001201838874 875899792 /nfs/dbraw/zinc/89/97/92/875899792.db2.gz FVNJKTQTUVCFRS-UHFFFAOYSA-N 1 0 393.597 3.767 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001201846749 875901145 /nfs/dbraw/zinc/90/11/45/875901145.db2.gz KTNUUEIMIXJMPA-FYYLOGMGSA-N 1 0 387.568 3.929 20 30 GHEDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000151798392 875927117 /nfs/dbraw/zinc/92/71/17/875927117.db2.gz WCTVJTIMYHUHII-ZIAGYGMSSA-N 1 0 385.489 3.783 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000549934138 875937392 /nfs/dbraw/zinc/93/73/92/875937392.db2.gz XUARUFLXGQBUBR-UHFFFAOYSA-N 1 0 376.504 3.956 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC3(CC2)OCCc2ccsc23)cc1 ZINC001168468016 882997587 /nfs/dbraw/zinc/99/75/87/882997587.db2.gz YYYWAYGOXYQJGJ-UHFFFAOYSA-N 1 0 380.513 3.622 20 30 GHEDRO O=C(OCC#Cc1cccc(Cl)c1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785714766 876221864 /nfs/dbraw/zinc/22/18/64/876221864.db2.gz SQOAKLXAAZKZKF-UHFFFAOYSA-N 1 0 397.902 3.753 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)C1CC1 ZINC000120705721 876244237 /nfs/dbraw/zinc/24/42/37/876244237.db2.gz RBLPUHJWZKTPSV-OAQYLSRUSA-N 1 0 376.566 3.783 20 30 GHEDRO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000443886054 876440429 /nfs/dbraw/zinc/44/04/29/876440429.db2.gz SIXZKFZAFCRSSD-QIJUGHKUSA-N 1 0 385.552 3.822 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000108518483 876483011 /nfs/dbraw/zinc/48/30/11/876483011.db2.gz OKORMKNBTOXEAE-KRWDZBQOSA-N 1 0 383.517 3.794 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)([NH+](C)C)C1 ZINC000609211406 883058588 /nfs/dbraw/zinc/05/85/88/883058588.db2.gz DEXGJNJWNSRIPR-JPYJTQIMSA-N 1 0 398.551 3.622 20 30 GHEDRO CCOCc1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)ccc1OC ZINC000850384590 876869677 /nfs/dbraw/zinc/86/96/77/876869677.db2.gz YZNUPVGYGNIOEV-UHFFFAOYSA-N 1 0 380.488 3.899 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3ccccc3F)C2)cc1Cl ZINC000262678949 876871088 /nfs/dbraw/zinc/87/10/88/876871088.db2.gz RZDBJTYUTNZXNU-CYBMUJFWSA-N 1 0 376.863 3.741 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406152 876886687 /nfs/dbraw/zinc/88/66/87/876886687.db2.gz UPDJOTGPAKVISU-UHFFFAOYSA-N 1 0 379.504 3.620 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850467212 876945918 /nfs/dbraw/zinc/94/59/18/876945918.db2.gz SNTYDZFYLMLUSN-QGTPRVQTSA-N 1 0 382.426 3.593 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850467210 876946558 /nfs/dbraw/zinc/94/65/58/876946558.db2.gz SNTYDZFYLMLUSN-JLSDUUJJSA-N 1 0 382.426 3.593 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443959316 877016827 /nfs/dbraw/zinc/01/68/27/877016827.db2.gz HTUDTSVSVIQGKE-NQIIRXRSSA-N 1 0 397.544 3.713 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccccc1CC ZINC000804601294 883090945 /nfs/dbraw/zinc/09/09/45/883090945.db2.gz LCLRVPIXGOWUTF-UHFFFAOYSA-O 1 0 394.442 3.937 20 30 GHEDRO Fc1cc(Cl)ccc1C(Cc1ccccn1)=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000787162122 877210386 /nfs/dbraw/zinc/21/03/86/877210386.db2.gz HTSKZSXYYXBUHY-ROUUACIJSA-N 1 0 385.874 3.681 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000609977895 877239273 /nfs/dbraw/zinc/23/92/73/877239273.db2.gz AVDWZOOXTNSZKS-IPJJNNNSSA-N 1 0 391.515 3.837 20 30 GHEDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000610027586 877317639 /nfs/dbraw/zinc/31/76/39/877317639.db2.gz LLKMOVPMQPAWAN-GOSISDBHSA-N 1 0 394.475 3.501 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1 ZINC000787403147 877396760 /nfs/dbraw/zinc/39/67/60/877396760.db2.gz YUNMGZOZQKEREA-HXUWFJFHSA-N 1 0 388.475 3.744 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)CC1 ZINC000610157811 877458870 /nfs/dbraw/zinc/45/88/70/877458870.db2.gz PXUZVJBBOZKOBL-UHFFFAOYSA-N 1 0 392.503 3.889 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000610162280 877467134 /nfs/dbraw/zinc/46/71/34/877467134.db2.gz PEVLDZDOBRCLFY-HYBUGGRVSA-N 1 0 393.531 3.748 20 30 GHEDRO CCCc1c(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000615268571 877573847 /nfs/dbraw/zinc/57/38/47/877573847.db2.gz HYAQJTZRFZJDHG-SFHVURJKSA-N 1 0 394.523 3.691 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC000237601234 877667307 /nfs/dbraw/zinc/66/73/07/877667307.db2.gz LIFXGZNVGOQAEU-QGZVFWFLSA-N 1 0 386.455 3.915 20 30 GHEDRO CC(C)[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCCC1 ZINC000477496322 877735289 /nfs/dbraw/zinc/73/52/89/877735289.db2.gz FWINKSLZQWAPRT-XVAXZDLZSA-N 1 0 398.551 3.668 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175571249 877776682 /nfs/dbraw/zinc/77/66/82/877776682.db2.gz LKYVGLSTROVNOO-UHFFFAOYSA-N 1 0 393.453 3.763 20 30 GHEDRO CC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000179638640 877810750 /nfs/dbraw/zinc/81/07/50/877810750.db2.gz SPDUUCAWELDHII-QHCPKHFHSA-N 1 0 391.515 3.795 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000175752331 877887040 /nfs/dbraw/zinc/88/70/40/877887040.db2.gz RCCAONVDSNKSPS-GOSISDBHSA-N 1 0 394.519 3.635 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000642706442 912289656 /nfs/dbraw/zinc/28/96/56/912289656.db2.gz NZHJOBSAFWBEHN-FPOVZHCZSA-N 1 0 381.568 3.806 20 30 GHEDRO C[C@@H](NC1(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CCOCC1)c1ccccc1 ZINC000152383718 877929484 /nfs/dbraw/zinc/92/94/84/877929484.db2.gz IJEFUUJCYIUAAL-VQTJNVASSA-N 1 0 393.531 3.967 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451478318 877992838 /nfs/dbraw/zinc/99/28/38/877992838.db2.gz JYHBVFFWJMEMRE-ITKAJJHTSA-N 1 0 387.549 3.670 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000237788450 878032677 /nfs/dbraw/zinc/03/26/77/878032677.db2.gz WCKQTJZZXNLRDI-QHCPKHFHSA-N 1 0 397.494 3.671 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451490017 878036953 /nfs/dbraw/zinc/03/69/53/878036953.db2.gz LDVATZCVFHXUCK-PBGAUENZSA-N 1 0 385.533 3.567 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)C[C@@H]1OCc1ccccc1 ZINC000451500345 878052371 /nfs/dbraw/zinc/05/23/71/878052371.db2.gz OTRWYAMXMNLVLG-MSOLQXFVSA-N 1 0 383.517 3.922 20 30 GHEDRO C#CCOCCN(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000852115492 878083471 /nfs/dbraw/zinc/08/34/71/878083471.db2.gz HIJXANPNWBZPMB-UHFFFAOYSA-N 1 0 377.257 3.635 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550813 878130293 /nfs/dbraw/zinc/13/02/93/878130293.db2.gz SBZIDJPGIMPAPQ-MRXNPFEDSA-N 1 0 384.461 3.736 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788596279 878194075 /nfs/dbraw/zinc/19/40/75/878194075.db2.gz YJNMETGHVPZVNH-PMACEKPBSA-N 1 0 377.573 3.795 20 30 GHEDRO CC(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccnn1C ZINC000615943469 878300837 /nfs/dbraw/zinc/30/08/37/878300837.db2.gz NAWFFPCDADUJFE-HXUWFJFHSA-N 1 0 376.508 3.727 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1C#N ZINC000451697155 878318203 /nfs/dbraw/zinc/31/82/03/878318203.db2.gz QMXUJRINXQWZLE-HBFSDRIKSA-N 1 0 398.551 3.513 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176631974 878332242 /nfs/dbraw/zinc/33/22/42/878332242.db2.gz RRKMPAIQPYNFJL-OAQYLSRUSA-N 1 0 393.531 3.915 20 30 GHEDRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000068322447 878332764 /nfs/dbraw/zinc/33/27/64/878332764.db2.gz XUOWRXDANRPBKS-SFHVURJKSA-N 1 0 399.498 3.983 20 30 GHEDRO Cc1ccccc1[C@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000068322611 878333007 /nfs/dbraw/zinc/33/30/07/878333007.db2.gz YWNVPSCTYWKTBM-OAQYLSRUSA-N 1 0 385.471 3.828 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)nc1 ZINC000493106465 878416798 /nfs/dbraw/zinc/41/67/98/878416798.db2.gz UJGRVEPVYZPVDS-SFHVURJKSA-N 1 0 384.549 3.944 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000451734003 878431885 /nfs/dbraw/zinc/43/18/85/878431885.db2.gz WCVXXYJVNJRAFT-LJQANCHMSA-N 1 0 399.583 3.836 20 30 GHEDRO O=C(N1CCC[C@H](C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1)C(F)(F)F ZINC000852601040 878456931 /nfs/dbraw/zinc/45/69/31/878456931.db2.gz OBNFUOSANWMTEN-SFHVURJKSA-N 1 0 396.428 3.690 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](O)CC(C)(C)C3)sc2C1 ZINC000451817211 878522045 /nfs/dbraw/zinc/52/20/45/878522045.db2.gz YVXGTKXOKQDPII-LSDHHAIUSA-N 1 0 389.565 3.556 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451817076 878522230 /nfs/dbraw/zinc/52/22/30/878522230.db2.gz KQFRDGMTRDJREM-LJQANCHMSA-N 1 0 392.528 3.932 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000493130201 878528058 /nfs/dbraw/zinc/52/80/58/878528058.db2.gz NRAAYVRLTKPYEC-UHFFFAOYSA-N 1 0 381.452 3.933 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000564370375 878607252 /nfs/dbraw/zinc/60/72/52/878607252.db2.gz QTWDBLBRVVEGHB-MSOLQXFVSA-N 1 0 377.492 3.823 20 30 GHEDRO C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000852834005 878626027 /nfs/dbraw/zinc/62/60/27/878626027.db2.gz WPWNMWPFPFSYGO-QGZVFWFLSA-N 1 0 380.463 3.585 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000852846533 878631597 /nfs/dbraw/zinc/63/15/97/878631597.db2.gz DKKAYTDDAHSZQJ-NRFANRHFSA-N 1 0 388.845 3.827 20 30 GHEDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852847234 878633657 /nfs/dbraw/zinc/63/36/57/878633657.db2.gz QBCRCKRBXCSOAF-DEOSSOPVSA-N 1 0 390.527 3.715 20 30 GHEDRO N#Cc1cccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000530908981 878755653 /nfs/dbraw/zinc/75/56/53/878755653.db2.gz WSPKNSVKSCUCJJ-LJQANCHMSA-N 1 0 387.405 3.510 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093684926 912384790 /nfs/dbraw/zinc/38/47/90/912384790.db2.gz ZAGKVKPCHDYRHC-DOTOQJQBSA-N 1 0 397.441 3.600 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)CC1 ZINC000180347779 878798963 /nfs/dbraw/zinc/79/89/63/878798963.db2.gz ANZUUZHONCQQSX-UHFFFAOYSA-N 1 0 387.915 3.996 20 30 GHEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1 ZINC000452018597 878816037 /nfs/dbraw/zinc/81/60/37/878816037.db2.gz CPZFNNKBSYJRAY-PKOBYXMFSA-N 1 0 377.385 3.817 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460942681 878863559 /nfs/dbraw/zinc/86/35/59/878863559.db2.gz CPQYMHFKKYAJCA-PXNSSMCTSA-N 1 0 385.531 3.751 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000538140176 878882983 /nfs/dbraw/zinc/88/29/83/878882983.db2.gz AOZRUINLXKQOSU-JOCHJYFZSA-N 1 0 382.460 3.704 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853211420 878891908 /nfs/dbraw/zinc/89/19/08/878891908.db2.gz VBTGVIHJPLIKON-SGTLLEGYSA-N 1 0 392.377 3.589 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000538165388 878933268 /nfs/dbraw/zinc/93/32/68/878933268.db2.gz IHXFCNZGCTXBFR-CYBMUJFWSA-N 1 0 387.867 3.908 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)ccc1Cl ZINC000538170430 878971724 /nfs/dbraw/zinc/97/17/24/878971724.db2.gz CPZKWDXDIOUGOZ-HNNXBMFYSA-N 1 0 399.878 3.975 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cnc1C#N ZINC000853394663 879000636 /nfs/dbraw/zinc/00/06/36/879000636.db2.gz WFMDYABJSZKBEL-MRXNPFEDSA-N 1 0 385.309 3.674 20 30 GHEDRO CC(C)(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC2CCOCC2)cc1 ZINC000068866516 879105092 /nfs/dbraw/zinc/10/50/92/879105092.db2.gz UVWNCRGQAGCICW-UHFFFAOYSA-O 1 0 397.564 3.979 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1ccccc1CC ZINC000068865639 879105101 /nfs/dbraw/zinc/10/51/01/879105101.db2.gz PWXFKDGBVDFGAT-UHFFFAOYSA-O 1 0 379.452 3.686 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CON=Cc2ccc(Cl)cc2)CC1 ZINC000853643183 879199347 /nfs/dbraw/zinc/19/93/47/879199347.db2.gz YCCCLNFPGHGXHY-UHFFFAOYSA-N 1 0 399.922 3.780 20 30 GHEDRO CC[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)[N@@H+]1CCc2ccccc2C1 ZINC000609162990 879225666 /nfs/dbraw/zinc/22/56/66/879225666.db2.gz LSFVWBSMYMADMX-NRFANRHFSA-N 1 0 386.499 3.732 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814430 879375622 /nfs/dbraw/zinc/37/56/22/879375622.db2.gz XVHNDMAPPBDCDJ-CRAIPNDOSA-N 1 0 382.460 3.998 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000180880308 879440162 /nfs/dbraw/zinc/44/01/62/879440162.db2.gz RUTGQYYCTOBNSQ-WNIYRAMRSA-N 1 0 395.434 3.795 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)C2=O)cc1 ZINC000790312213 879589131 /nfs/dbraw/zinc/58/91/31/879589131.db2.gz YVBSWGAAMJFJMW-XPWALMASSA-N 1 0 389.499 3.642 20 30 GHEDRO CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cc(Br)ccc1O ZINC000093866950 912483566 /nfs/dbraw/zinc/48/35/66/912483566.db2.gz ACJDUVLTTWRSOW-UHFFFAOYSA-N 1 0 385.265 3.696 20 30 GHEDRO COCCCOc1cccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000122843805 879794342 /nfs/dbraw/zinc/79/43/42/879794342.db2.gz HFXSKZRERBYJLQ-UHFFFAOYSA-N 1 0 393.531 3.681 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000790532559 879799903 /nfs/dbraw/zinc/79/99/03/879799903.db2.gz BXORPLVFHSAGPI-UHFFFAOYSA-N 1 0 378.438 3.828 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000181142331 879832758 /nfs/dbraw/zinc/83/27/58/879832758.db2.gz XMDFXKPJMFJUIR-GOSISDBHSA-N 1 0 394.425 3.563 20 30 GHEDRO CC[NH+](CC)[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000461447351 879838784 /nfs/dbraw/zinc/83/87/84/879838784.db2.gz ICCOSLGLXSLHDK-OAQYLSRUSA-N 1 0 389.459 3.932 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000285945734 912510649 /nfs/dbraw/zinc/51/06/49/912510649.db2.gz FXFFEELCDFXKTK-KRWDZBQOSA-N 1 0 390.487 3.834 20 30 GHEDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000140777480 880032844 /nfs/dbraw/zinc/03/28/44/880032844.db2.gz HSTGRGQVXBIZPX-ROUUACIJSA-N 1 0 375.538 3.766 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCCc1cccc(C#N)c1 ZINC000466809833 912533002 /nfs/dbraw/zinc/53/30/02/912533002.db2.gz SGASCTUQJOBAKU-UHFFFAOYSA-N 1 0 380.492 3.643 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(Cl)nc1Cl ZINC000112821157 880167505 /nfs/dbraw/zinc/16/75/05/880167505.db2.gz PXWFOAHVBGMQEC-UHFFFAOYSA-N 1 0 395.265 3.603 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3ccc(C#N)c4[nH]ccc43)nc3ccc(C)cc3n12 ZINC001170147825 880175498 /nfs/dbraw/zinc/17/54/98/880175498.db2.gz HSWOSLGCTKFFNI-UHFFFAOYSA-N 1 0 395.470 3.949 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978568 880255572 /nfs/dbraw/zinc/25/55/72/880255572.db2.gz YSRGAYZGJYXZHV-HXUWFJFHSA-N 1 0 398.466 3.841 20 30 GHEDRO C=C(C)CS(=O)(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000184404475 880295691 /nfs/dbraw/zinc/29/56/91/880295691.db2.gz KCLXQDYXDAIRSP-UHFFFAOYSA-N 1 0 390.471 3.508 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C[C@@H]21 ZINC000452982839 880306444 /nfs/dbraw/zinc/30/64/44/880306444.db2.gz BDGIBXXZCNLDKN-QUCCMNQESA-N 1 0 377.513 3.627 20 30 GHEDRO Cc1cc(NC(=O)C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)no1 ZINC000123390583 880306568 /nfs/dbraw/zinc/30/65/68/880306568.db2.gz IFLXCFABHCSWEF-UHFFFAOYSA-N 1 0 382.464 3.516 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000855162384 880314378 /nfs/dbraw/zinc/31/43/78/880314378.db2.gz XHLYBLVSMVQJJN-VGOFRKELSA-N 1 0 393.572 3.569 20 30 GHEDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C#N)ccc1Br ZINC001275190034 912555511 /nfs/dbraw/zinc/55/55/11/912555511.db2.gz BKZKECFQVIVTSC-MORSLUCNSA-N 1 0 390.325 3.685 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000531701420 880327900 /nfs/dbraw/zinc/32/79/00/880327900.db2.gz RJIYNHLFHRDLRC-INIZCTEOSA-N 1 0 392.293 3.543 20 30 GHEDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3Br)C2)C1=O ZINC001275192553 912576575 /nfs/dbraw/zinc/57/65/75/912576575.db2.gz STIZUNAIMPXCDY-LJQANCHMSA-N 1 0 390.325 3.545 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3c(Br)ccc4ccccc43)C2)C1=O ZINC001275198608 912588154 /nfs/dbraw/zinc/58/81/54/912588154.db2.gz DXWTWBKNZVYXOX-OAQYLSRUSA-N 1 0 397.316 3.660 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3ccccc3Br)CC2)C1=O ZINC001275198676 912588346 /nfs/dbraw/zinc/58/83/46/912588346.db2.gz GISFEKZZOPPQRD-UHFFFAOYSA-N 1 0 377.326 3.840 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)C1 ZINC000776825333 880667579 /nfs/dbraw/zinc/66/75/79/880667579.db2.gz GSVKPOLAYODCLE-CABCVRRESA-N 1 0 379.888 3.589 20 30 GHEDRO C=CCn1c(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1[C@]1(C)CCCO1 ZINC000453439579 880899736 /nfs/dbraw/zinc/89/97/36/880899736.db2.gz LTKQIULKGBFKGL-REWPJTCUSA-N 1 0 395.551 3.591 20 30 GHEDRO C=CC[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccncc1 ZINC000792091271 880920262 /nfs/dbraw/zinc/92/02/62/880920262.db2.gz GHQPHBXBFHOPBD-DAWZGUTISA-N 1 0 396.457 3.803 20 30 GHEDRO C=CCn1c(CCC(C)C)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453430559 880933802 /nfs/dbraw/zinc/93/38/02/880933802.db2.gz DJXQQINVJQIVDZ-UHFFFAOYSA-N 1 0 387.494 3.906 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453455092 880949204 /nfs/dbraw/zinc/94/92/04/880949204.db2.gz DQYYZKMRLUUXMK-TYPHKJRUSA-N 1 0 395.551 3.805 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000113964970 881016031 /nfs/dbraw/zinc/01/60/31/881016031.db2.gz ILFYEQXEYHXDPA-UYAOXDASSA-N 1 0 396.491 3.597 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)c(F)c1 ZINC000795712864 912639471 /nfs/dbraw/zinc/63/94/71/912639471.db2.gz AXRZDAJGLASRNI-UHFFFAOYSA-N 1 0 377.419 3.995 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1O ZINC000919941369 881218503 /nfs/dbraw/zinc/21/85/03/881218503.db2.gz YQIVTKVBQMATDI-UHFFFAOYSA-N 1 0 395.478 3.852 20 30 GHEDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000453630891 881224994 /nfs/dbraw/zinc/22/49/94/881224994.db2.gz ZOCMXRUSTQRXTB-UHFFFAOYSA-N 1 0 376.508 3.855 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000856476278 881275376 /nfs/dbraw/zinc/27/53/76/881275376.db2.gz STFIAQGECNDMTE-WAEYIKQSSA-N 1 0 384.520 3.511 20 30 GHEDRO COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000537626506 881278026 /nfs/dbraw/zinc/27/80/26/881278026.db2.gz VJXRHQTUIPPZBS-MTNREXPMSA-N 1 0 378.472 3.899 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(O)c1 ZINC000804599272 883120894 /nfs/dbraw/zinc/12/08/94/883120894.db2.gz WUNFBQSMHLMTIG-ANDSAHIGSA-N 1 0 399.457 3.991 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432199 883189503 /nfs/dbraw/zinc/18/95/03/883189503.db2.gz RRJAFAWAZTWNAB-IBGZPJMESA-N 1 0 379.504 3.895 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2)c1 ZINC000181889537 883190122 /nfs/dbraw/zinc/19/01/22/883190122.db2.gz YCNYFZNSSAFAKK-ZWKOTPCHSA-N 1 0 395.503 3.783 20 30 GHEDRO Cc1ccc(F)c2[nH]c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc21 ZINC000858566895 883203786 /nfs/dbraw/zinc/20/37/86/883203786.db2.gz KOLMAMRQOJDHQQ-UHFFFAOYSA-N 1 0 378.451 3.691 20 30 GHEDRO COc1cc2c(c(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)c1)O[C@H](C)C2 ZINC000609466635 883230092 /nfs/dbraw/zinc/23/00/92/883230092.db2.gz WWFBMMSRZZJUQH-DNVCBOLYSA-N 1 0 395.478 3.788 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3Cl)CC2)C1=O ZINC001275221033 912690487 /nfs/dbraw/zinc/69/04/87/912690487.db2.gz WRAUTLMJZZZEMR-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO CC(C)C[C@H](CNC(=O)CNc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000609549881 883362117 /nfs/dbraw/zinc/36/21/17/883362117.db2.gz OWWYCEOAVCKUDX-PGRDOPGGSA-N 1 0 378.520 3.852 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000804859587 883401587 /nfs/dbraw/zinc/40/15/87/883401587.db2.gz SFFPAQFAPWTXBF-MSOLQXFVSA-N 1 0 389.858 3.883 20 30 GHEDRO C=CCC(F)(F)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001129975898 883434507 /nfs/dbraw/zinc/43/45/07/883434507.db2.gz OQRNMXGMOZBXLL-UHFFFAOYSA-N 1 0 390.272 3.597 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000609635030 883490710 /nfs/dbraw/zinc/49/07/10/883490710.db2.gz KUYFFZZAMAKRGM-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000609660275 883499402 /nfs/dbraw/zinc/49/94/02/883499402.db2.gz TXRRZGQIRZUHDV-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[NH+]1CCC(C)CC1 ZINC000609661094 883501821 /nfs/dbraw/zinc/50/18/21/883501821.db2.gz RPLDVFUJYYQCEH-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)(C)CO1 ZINC000609671666 883516766 /nfs/dbraw/zinc/51/67/66/883516766.db2.gz IHZBCRJUWOHCLS-UHFFFAOYSA-N 1 0 375.538 3.717 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000805045629 883556777 /nfs/dbraw/zinc/55/67/77/883556777.db2.gz UYHHPGOBJWSHRC-LEWJYISDSA-N 1 0 379.504 3.659 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000477041988 883632158 /nfs/dbraw/zinc/63/21/58/883632158.db2.gz HMMYANBVVYTNKQ-NZQKXSOJSA-N 1 0 383.536 3.831 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000475776976 883649463 /nfs/dbraw/zinc/64/94/63/883649463.db2.gz UIACTOUUGXIYLH-AWEZNQCLSA-N 1 0 391.924 3.619 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000194123466 883684276 /nfs/dbraw/zinc/68/42/76/883684276.db2.gz DGBIUYCZFBRBKJ-UHFFFAOYSA-N 1 0 397.494 3.821 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000859246245 883691990 /nfs/dbraw/zinc/69/19/90/883691990.db2.gz PCFQLYNZDDOKFU-WMZOPIPTSA-N 1 0 382.426 3.566 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)/C=C/c2ccccc2C#N)[NH+](C)C)cc1 ZINC000805274727 883731177 /nfs/dbraw/zinc/73/11/77/883731177.db2.gz CSBLSQVQHIASAX-FZNBYNMYSA-N 1 0 377.488 3.778 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c(-c2cc3ccccc3o2)n1 ZINC000897602077 884052033 /nfs/dbraw/zinc/05/20/33/884052033.db2.gz DKLPQZLSHMHNCM-UHFFFAOYSA-N 1 0 377.444 3.671 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000494874084 884099610 /nfs/dbraw/zinc/09/96/10/884099610.db2.gz NFPBOESHMMHHCU-HNNXBMFYSA-N 1 0 396.354 3.546 20 30 GHEDRO C[C@@H](NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000487806423 884106441 /nfs/dbraw/zinc/10/64/41/884106441.db2.gz WLJXZHJTQULKDP-JPYJTQIMSA-N 1 0 376.504 3.973 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000080158530 884191966 /nfs/dbraw/zinc/19/19/66/884191966.db2.gz KBJZVCMYWLUHHD-KGVIQGDOSA-N 1 0 376.504 3.972 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2nc(C#N)cs2)C[C@@H]1c1ccc(Br)cc1 ZINC000897625573 884197266 /nfs/dbraw/zinc/19/72/66/884197266.db2.gz GGZNCIVTDLINQP-GOEBONIOSA-N 1 0 391.338 3.702 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897628128 884210157 /nfs/dbraw/zinc/21/01/57/884210157.db2.gz CWMZIQRREVHCFO-HRCADAONSA-N 1 0 376.526 3.673 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)c(-c2ccccc2)n1 ZINC000191791490 884211514 /nfs/dbraw/zinc/21/15/14/884211514.db2.gz JNQGKZLVSTVIOU-UHFFFAOYSA-N 1 0 396.498 3.998 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000476242992 884312947 /nfs/dbraw/zinc/31/29/47/884312947.db2.gz VRSYCDSTJJYDHJ-HXUWFJFHSA-N 1 0 377.488 3.821 20 30 GHEDRO COc1cccc([C@H](O)C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000860141547 884360825 /nfs/dbraw/zinc/36/08/25/884360825.db2.gz DVZOGZVYNCOFDP-HSZRJFAPSA-N 1 0 380.488 3.781 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(Br)ccc3C)C2)C1=O ZINC001275249229 912833416 /nfs/dbraw/zinc/83/34/16/912833416.db2.gz ZSRNGYZLECTXHG-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO CCc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc(Cl)n1 ZINC001130562813 884501528 /nfs/dbraw/zinc/50/15/28/884501528.db2.gz AQXFXFUOEVQFAD-UHFFFAOYSA-N 1 0 382.895 3.563 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)ccc3C)CC2)C1=O ZINC001275248698 912831818 /nfs/dbraw/zinc/83/18/18/912831818.db2.gz QXVHCIRSOLNIMD-HXUWFJFHSA-N 1 0 389.337 3.595 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000286652937 912843494 /nfs/dbraw/zinc/84/34/94/912843494.db2.gz IOCPASISUQAUDT-WMZHIEFXSA-N 1 0 390.531 3.541 20 30 GHEDRO Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000860449517 884687324 /nfs/dbraw/zinc/68/73/24/884687324.db2.gz AOTKJZNVVDWDQB-PCCBWWKXSA-N 1 0 398.510 3.908 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)CC1 ZINC000106036759 884936387 /nfs/dbraw/zinc/93/63/87/884936387.db2.gz TVMVHELEOLDENG-UHFFFAOYSA-N 1 0 384.499 3.905 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000806929242 885096173 /nfs/dbraw/zinc/09/61/73/885096173.db2.gz YUTOHUWIMFBELM-NZQKXSOJSA-N 1 0 375.516 3.885 20 30 GHEDRO COc1ccc(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1C#N ZINC000747410796 885608750 /nfs/dbraw/zinc/60/87/50/885608750.db2.gz PGRHYDKLVAJRCC-OAQYLSRUSA-N 1 0 392.503 3.593 20 30 GHEDRO CCCO[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000108493535 885726250 /nfs/dbraw/zinc/72/62/50/885726250.db2.gz NAHGRSVRRXYVOF-IBGZPJMESA-N 1 0 377.916 3.868 20 30 GHEDRO CCCCCCCNC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000861655512 885736253 /nfs/dbraw/zinc/73/62/53/885736253.db2.gz QWARGRIDKLRSPG-UHFFFAOYSA-N 1 0 375.561 3.736 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)nc1 ZINC000495449334 885817063 /nfs/dbraw/zinc/81/70/63/885817063.db2.gz BJNRWDHUSOUTES-NRFANRHFSA-N 1 0 378.520 3.883 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)CCc1ccc(Br)cc1 ZINC000106861767 886058272 /nfs/dbraw/zinc/05/82/72/886058272.db2.gz PIZLYHSRIGSLTA-UHFFFAOYSA-N 1 0 392.322 3.885 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000532581961 886175439 /nfs/dbraw/zinc/17/54/39/886175439.db2.gz LCBXVYOKYHWKFQ-DLBZAZTESA-N 1 0 375.538 3.572 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)C1 ZINC000862191244 886201839 /nfs/dbraw/zinc/20/18/39/886201839.db2.gz LGEKIXDVNKMDFA-QFIPXVFZSA-N 1 0 375.516 3.611 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc(OC)c1O ZINC000762484898 886278313 /nfs/dbraw/zinc/27/83/13/886278313.db2.gz NYDALBYILSAZCM-QAPCUYQASA-N 1 0 390.524 3.864 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)C2)c(F)c1 ZINC000237916375 886427319 /nfs/dbraw/zinc/42/73/19/886427319.db2.gz WIISBWYEGYKQNX-IBGZPJMESA-N 1 0 393.441 3.985 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000862526802 886427872 /nfs/dbraw/zinc/42/78/72/886427872.db2.gz DVIGYLRDZWJKOW-JOCHJYFZSA-N 1 0 399.535 3.801 20 30 GHEDRO CN1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556884229 886451009 /nfs/dbraw/zinc/45/10/09/886451009.db2.gz HKFTXHDOWCFJGR-PKTZIBPZSA-N 1 0 396.485 3.840 20 30 GHEDRO COc1cccc([C@H](O)C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000862543106 886453317 /nfs/dbraw/zinc/45/33/17/886453317.db2.gz COZWQOXHUOYWJW-GAJHUEQPSA-N 1 0 380.488 3.932 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c(C#N)c1C ZINC000287035492 913046836 /nfs/dbraw/zinc/04/68/36/913046836.db2.gz SNAAJHLXVMCSJF-INIZCTEOSA-N 1 0 377.897 3.542 20 30 GHEDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)Cc1cc3ccn(C(C)=O)c3c(C#N)c1)C2 ZINC001168243016 886535989 /nfs/dbraw/zinc/53/59/89/886535989.db2.gz GQPJCMFLFUGJGI-NYHFZMIOSA-N 1 0 387.483 3.870 20 30 GHEDRO C=C[C@H](CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000533924701 886578055 /nfs/dbraw/zinc/57/80/55/886578055.db2.gz SOENPAKXYHBEGX-HSZRJFAPSA-N 1 0 391.559 3.670 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670195632 886684258 /nfs/dbraw/zinc/68/42/58/886684258.db2.gz UFPQTVUPOQFHOG-CTNGQTDRSA-N 1 0 393.535 3.595 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2cccc(OCC#N)c2)C1 ZINC000119199984 886769418 /nfs/dbraw/zinc/76/94/18/886769418.db2.gz KCMHIYDAZNZAIP-LJQANCHMSA-N 1 0 391.515 3.680 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2cccc(OCC#N)c2)C1 ZINC000119200064 886769643 /nfs/dbraw/zinc/76/96/43/886769643.db2.gz KCMHIYDAZNZAIP-IBGZPJMESA-N 1 0 391.515 3.680 20 30 GHEDRO COc1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)cc1C#N ZINC000762788775 886825672 /nfs/dbraw/zinc/82/56/72/886825672.db2.gz XGPHEAUTNDGVFI-GOSISDBHSA-N 1 0 389.293 3.931 20 30 GHEDRO COCO[C@@H](C)c1cc(F)c(C=NNc2cc[nH+]c(C)c2)cc1Br ZINC000863160616 886897040 /nfs/dbraw/zinc/89/70/40/886897040.db2.gz LVHYGSZZLZTFNR-LBPRGKRZSA-N 1 0 396.260 3.841 20 30 GHEDRO C[C@@H](Nc1ccc(C#Cc2ccc(Br)cc2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001170567102 886993637 /nfs/dbraw/zinc/99/36/37/886993637.db2.gz JAEQAQYJKXPHHP-QRWLVFNGSA-N 1 0 385.305 3.638 20 30 GHEDRO N#CC1(CCC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CCOCC1 ZINC000282112783 887106656 /nfs/dbraw/zinc/10/66/56/887106656.db2.gz XDNOODZWXSPPFL-UHFFFAOYSA-N 1 0 379.508 3.752 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000863437623 887110235 /nfs/dbraw/zinc/11/02/35/887110235.db2.gz SJJNOSPPDVEMGX-QHCPKHFHSA-N 1 0 375.516 3.514 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000729629927 887119909 /nfs/dbraw/zinc/11/99/09/887119909.db2.gz PPHPGBJSRHWIOX-UHFFFAOYSA-N 1 0 384.911 3.844 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127941234 887127094 /nfs/dbraw/zinc/12/70/94/887127094.db2.gz NLYCAULUZJXEHD-LMMKCTJWSA-N 1 0 397.548 3.847 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001184313570 913121257 /nfs/dbraw/zinc/12/12/57/913121257.db2.gz QDRMEIYOUSPKPA-FQEVSTJZSA-N 1 0 386.536 3.693 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000863554803 887208284 /nfs/dbraw/zinc/20/82/84/887208284.db2.gz IPGNRZIKSYXCKD-CJNGLKHVSA-N 1 0 393.270 3.718 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[C@H]1C ZINC000488000424 887276828 /nfs/dbraw/zinc/27/68/28/887276828.db2.gz FIRRJTMLGQHXEG-CRAIPNDOSA-N 1 0 389.565 3.964 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)nn(-c2ccccc2)c1C)C(C)C ZINC000496027196 887404603 /nfs/dbraw/zinc/40/46/03/887404603.db2.gz FSWJHIIJVVGISD-OAQYLSRUSA-N 1 0 380.536 3.918 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(C#N)CCCC2)C[C@H]1C(F)(F)F ZINC001168499390 887479808 /nfs/dbraw/zinc/47/98/08/887479808.db2.gz BMIXAHPWLSXECT-KGLIPLIRSA-N 1 0 375.435 3.990 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC001168501868 887710847 /nfs/dbraw/zinc/71/08/47/887710847.db2.gz QGJRGIZRYKILLB-HOTGVXAUSA-N 1 0 383.414 3.978 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000171740961 887714348 /nfs/dbraw/zinc/71/43/48/887714348.db2.gz FCBPDERLEWMZHA-UHFFFAOYSA-N 1 0 391.365 3.661 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000864840625 888024454 /nfs/dbraw/zinc/02/44/54/888024454.db2.gz FELXUESOHYQNHV-MRXNPFEDSA-N 1 0 381.904 3.723 20 30 GHEDRO N#CCc1ccsc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000864900115 888064370 /nfs/dbraw/zinc/06/43/70/888064370.db2.gz BFJMCCJLUYNYAZ-UHFFFAOYSA-N 1 0 396.516 3.881 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](Oc4ccc(Cl)cc4)C3)C2=O)cc1 ZINC001170594872 888082924 /nfs/dbraw/zinc/08/29/24/888082924.db2.gz YERKVGILIBHCNL-RTWAWAEBSA-N 1 0 395.890 3.860 20 30 GHEDRO Cc1cnc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1C#N ZINC001170594924 888085117 /nfs/dbraw/zinc/08/51/17/888085117.db2.gz GRTCNBSTTBEYDA-QHCPKHFHSA-N 1 0 386.499 3.737 20 30 GHEDRO CC[NH+](CC)CCS(=O)(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000810048325 888096722 /nfs/dbraw/zinc/09/67/22/888096722.db2.gz BJOVKGROTRWPFL-CQSZACIVSA-N 1 0 387.851 3.502 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126339 888190728 /nfs/dbraw/zinc/19/07/28/888190728.db2.gz FUWWIMZHGVUZML-QGZVFWFLSA-N 1 0 393.487 3.813 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000810128651 888195202 /nfs/dbraw/zinc/19/52/02/888195202.db2.gz IOISQZYJQXCSFX-QZTJIDSGSA-N 1 0 396.535 3.585 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC001127399360 888299249 /nfs/dbraw/zinc/29/92/49/888299249.db2.gz PMTHWPNUZSPPAW-RCZSKKKRSA-N 1 0 377.463 3.728 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)CC1 ZINC000287281197 913235182 /nfs/dbraw/zinc/23/51/82/913235182.db2.gz JQTMGJCUEIZDQH-BJRAERQBSA-N 1 0 391.515 3.991 20 30 GHEDRO COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(Cl)c1OC ZINC000122816025 888482186 /nfs/dbraw/zinc/48/21/86/888482186.db2.gz AOVKHPUHXNXAAD-UHFFFAOYSA-N 1 0 399.922 3.937 20 30 GHEDRO Cc1cc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)ncc1Br ZINC000865696054 888519410 /nfs/dbraw/zinc/51/94/10/888519410.db2.gz UJYRSQUQMUMMQL-UHFFFAOYSA-N 1 0 385.309 3.783 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000865695013 888519607 /nfs/dbraw/zinc/51/96/07/888519607.db2.gz KVYGMEKPKGASGW-UHFFFAOYSA-N 1 0 398.551 3.953 20 30 GHEDRO COc1cc(CN(C)CC[NH+]2CCCC2)ccc1OCc1cccc(C#N)c1 ZINC000153780872 888555960 /nfs/dbraw/zinc/55/59/60/888555960.db2.gz NLUBAWPFPFTHID-UHFFFAOYSA-N 1 0 379.504 3.673 20 30 GHEDRO Cc1ncc(CO)c(/C=N\Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1O ZINC000915980117 888594704 /nfs/dbraw/zinc/59/47/04/888594704.db2.gz XEHMIHCEFPTSMB-SJJGZAMRSA-N 1 0 381.520 3.685 20 30 GHEDRO N#Cc1cccc(Br)c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000865930418 888652274 /nfs/dbraw/zinc/65/22/74/888652274.db2.gz SCFCQSLYVAOKNA-UHFFFAOYSA-N 1 0 378.314 3.624 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ncc(C#N)c4ccsc43)C2)ccn1 ZINC000865960225 888668909 /nfs/dbraw/zinc/66/89/09/888668909.db2.gz SPVIIBBCURINLE-GOSISDBHSA-N 1 0 393.516 3.672 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475930874 888721109 /nfs/dbraw/zinc/72/11/09/888721109.db2.gz AQFUJEPBCLRFBC-GOTSBHOMSA-N 1 0 390.531 3.982 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001184542678 913274215 /nfs/dbraw/zinc/27/42/15/913274215.db2.gz NZJVBMOEFOUCCU-YVEFUNNKSA-N 1 0 383.389 3.720 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(C#N)c1[O-] ZINC000866261466 888804243 /nfs/dbraw/zinc/80/42/43/888804243.db2.gz UAROXGURCDXMCN-CVEARBPZSA-N 1 0 382.483 3.567 20 30 GHEDRO COc1cccc([C@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)[NH+](C)C)c1 ZINC000454377520 888920351 /nfs/dbraw/zinc/92/03/51/888920351.db2.gz LJVRXBKHXVPNTI-NRFANRHFSA-N 1 0 379.504 3.555 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454464220 889129434 /nfs/dbraw/zinc/12/94/34/889129434.db2.gz MQZMSNZYRVNMPC-SFHVURJKSA-N 1 0 386.496 3.524 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCCCC[NH+]1CCCC1 ZINC000454580172 889314628 /nfs/dbraw/zinc/31/46/28/889314628.db2.gz CXRKTMJYFQMLBR-UHFFFAOYSA-N 1 0 381.442 3.622 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C(F)(F)F)c1 ZINC000868209751 889354530 /nfs/dbraw/zinc/35/45/30/889354530.db2.gz LJPNPOLLPGNLHL-KURKYZTESA-N 1 0 394.441 3.583 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000063398977 889601312 /nfs/dbraw/zinc/60/13/12/889601312.db2.gz DUMUAVKEGFTHTK-IBGZPJMESA-N 1 0 398.463 3.723 20 30 GHEDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000868813945 889609732 /nfs/dbraw/zinc/60/97/32/889609732.db2.gz NOLJWBPCQJFZOA-UHFFFAOYSA-N 1 0 396.516 3.875 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(C)cc1 ZINC000533223827 890037769 /nfs/dbraw/zinc/03/77/69/890037769.db2.gz JRGUXYFQMLZTQH-UHFFFAOYSA-N 1 0 387.487 3.903 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc(C#N)cc1 ZINC000533254855 890104877 /nfs/dbraw/zinc/10/48/77/890104877.db2.gz CTCCBLZZSQHYED-GOSISDBHSA-N 1 0 381.442 3.817 20 30 GHEDRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)Nc1ccc(C#N)cc1 ZINC001184761938 913418108 /nfs/dbraw/zinc/41/81/08/913418108.db2.gz JBEKOQWDTJDKDM-UHFFFAOYSA-N 1 0 393.491 3.741 20 30 GHEDRO C[NH+]1CCC(CNC(=O)C[C@@H](CC#N)c2ccccc2)(c2ccccc2)CC1 ZINC000870187652 890253597 /nfs/dbraw/zinc/25/35/97/890253597.db2.gz BGGDONWNPJNGDL-OAQYLSRUSA-N 1 0 375.516 3.854 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(OCc3ccccc3OC)c2C)CC1 ZINC000123090593 890339661 /nfs/dbraw/zinc/33/96/61/890339661.db2.gz MBRWPHQKTQYOLA-UHFFFAOYSA-N 1 0 392.499 3.866 20 30 GHEDRO CCn1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C2CC2)n1 ZINC000870456472 890363314 /nfs/dbraw/zinc/36/33/14/890363314.db2.gz IVGCMBYLSFUOTN-UHFFFAOYSA-N 1 0 392.503 3.743 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533408962 890478512 /nfs/dbraw/zinc/47/85/12/890478512.db2.gz NUYZHQANMDPDGY-OAHLLOKOSA-N 1 0 376.932 3.591 20 30 GHEDRO N#CCOc1ccc(CC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000870963084 890588164 /nfs/dbraw/zinc/58/81/64/890588164.db2.gz GXBSJSRSBJQKIY-UHFFFAOYSA-N 1 0 391.515 3.550 20 30 GHEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1nc2ccccc2nc1C(C#N)C#N ZINC001170679955 890732826 /nfs/dbraw/zinc/73/28/26/890732826.db2.gz NLMGAQCADMSMJG-AWEZNQCLSA-N 1 0 379.427 3.633 20 30 GHEDRO Cc1cc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc(C)c1C#N ZINC001272091945 890857966 /nfs/dbraw/zinc/85/79/66/890857966.db2.gz ONLLQAFPWKZXNT-UHFFFAOYSA-N 1 0 377.488 3.578 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000812780714 890958404 /nfs/dbraw/zinc/95/84/04/890958404.db2.gz OXSNJIDRHCMTHI-XMMPIXPASA-N 1 0 377.532 3.854 20 30 GHEDRO C#C[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 ZINC000812793193 890987140 /nfs/dbraw/zinc/98/71/40/890987140.db2.gz OHEMBDSCRCKWFF-QVKFZJNVSA-N 1 0 393.462 3.855 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000812832704 891015036 /nfs/dbraw/zinc/01/50/36/891015036.db2.gz ANCQFBCERVQWMG-UHFFFAOYSA-N 1 0 389.528 3.831 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812851737 891043593 /nfs/dbraw/zinc/04/35/93/891043593.db2.gz BIRWYGICITYMRY-RDPSFJRHSA-N 1 0 393.531 3.994 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853720 891047114 /nfs/dbraw/zinc/04/71/14/891047114.db2.gz SUHZYNDNWVSTCB-HYBUGGRVSA-N 1 0 393.531 3.994 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000872140085 891180899 /nfs/dbraw/zinc/18/08/99/891180899.db2.gz WRNORBWOWHQWPM-LASHMREHSA-N 1 0 376.541 3.573 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCSCc1ccccc1C#N ZINC000170670784 891307171 /nfs/dbraw/zinc/30/71/71/891307171.db2.gz RTCNJHWJLIXNMQ-HNNXBMFYSA-N 1 0 398.488 3.707 20 30 GHEDRO C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3cncc(Br)c3)C2)C1=O ZINC001275357880 913546371 /nfs/dbraw/zinc/54/63/71/913546371.db2.gz VLRIQXFDWMMAGA-HXUWFJFHSA-N 1 0 398.304 3.520 20 30 GHEDRO C[C@@]1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000873056755 891448040 /nfs/dbraw/zinc/44/80/40/891448040.db2.gz IPNLPMMCQHQEPA-LJQANCHMSA-N 1 0 394.441 3.507 20 30 GHEDRO c1coc(CCNC(=[NH+]C[C@@H]2CCOC2)N2CCSC3(CCCCC3)C2)c1 ZINC000154390895 891954016 /nfs/dbraw/zinc/95/40/16/891954016.db2.gz HJNAYVPYEYZLLF-SFHVURJKSA-N 1 0 391.581 3.556 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000813786366 891971129 /nfs/dbraw/zinc/97/11/29/891971129.db2.gz JFDPWCOBKVZPNP-FQEVSTJZSA-N 1 0 398.551 3.916 20 30 GHEDRO CCc1c(C(=O)C(C(=S)N[C@H](C)CC)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC000154470152 892339145 /nfs/dbraw/zinc/33/91/45/892339145.db2.gz QSSPUFAGVQJEPE-CYBMUJFWSA-O 1 0 386.541 3.703 20 30 GHEDRO CCc1c(C(=O)C(C(=S)N[C@@H](C)CC)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC000154470043 892339728 /nfs/dbraw/zinc/33/97/28/892339728.db2.gz QSSPUFAGVQJEPE-ZDUSSCGKSA-O 1 0 386.541 3.703 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC000875092070 892446021 /nfs/dbraw/zinc/44/60/21/892446021.db2.gz RHLNZCACKCKFDU-GOSISDBHSA-N 1 0 390.409 3.723 20 30 GHEDRO C=CCn1c(C)nn(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1=S ZINC000125486713 892707592 /nfs/dbraw/zinc/70/75/92/892707592.db2.gz LEROIUXSFARDMV-QGZVFWFLSA-N 1 0 377.602 3.843 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509688625 892757489 /nfs/dbraw/zinc/75/74/89/892757489.db2.gz NMESJXSFWZTKMI-DQEYMECFSA-N 1 0 388.559 3.970 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000273526449 892950214 /nfs/dbraw/zinc/95/02/14/892950214.db2.gz XXNRJEKLMMEMQV-SFHVURJKSA-N 1 0 398.551 3.695 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273594638 892950410 /nfs/dbraw/zinc/95/04/10/892950410.db2.gz MFJAPUXSMAFOHK-SFTDATJTSA-N 1 0 389.515 3.728 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000814661694 893026254 /nfs/dbraw/zinc/02/62/54/893026254.db2.gz RTCQDZNERHBKNG-CQSZACIVSA-N 1 0 398.488 3.646 20 30 GHEDRO CN(c1cc(Br)ccc1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC001185203544 913727317 /nfs/dbraw/zinc/72/73/17/913727317.db2.gz JAWMKUYXJCHNHN-UHFFFAOYSA-N 1 0 399.336 3.859 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]2C1 ZINC000814676379 893056507 /nfs/dbraw/zinc/05/65/07/893056507.db2.gz KUNHDJIQPYZXNN-KDURUIRLSA-N 1 0 385.508 3.668 20 30 GHEDRO N#Cc1ccccc1N1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000933557060 893076420 /nfs/dbraw/zinc/07/64/20/893076420.db2.gz MXOIFMVAOBPENF-UHFFFAOYSA-N 1 0 392.503 3.536 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933645137 893113800 /nfs/dbraw/zinc/11/38/00/893113800.db2.gz JLPBVSGFOWXAFP-UHFFFAOYSA-N 1 0 392.540 3.751 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776711 893211378 /nfs/dbraw/zinc/21/13/78/893211378.db2.gz KUWBOOZEOZJMFB-UHFFFAOYSA-N 1 0 393.516 3.883 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c(OC)c1 ZINC000562995543 893253875 /nfs/dbraw/zinc/25/38/75/893253875.db2.gz VIIQZKIUNFHTHV-UXHICEINSA-N 1 0 389.536 3.635 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000876637866 893268438 /nfs/dbraw/zinc/26/84/38/893268438.db2.gz UFYPPPCIKCYKIN-UONOGXRCSA-N 1 0 387.705 3.591 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)c1CC ZINC000876659461 893277142 /nfs/dbraw/zinc/27/71/42/893277142.db2.gz XVOZFCAVEHQDTB-ZDUSSCGKSA-N 1 0 397.704 3.810 20 30 GHEDRO N#Cc1ncc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1Cl ZINC000455789769 893284609 /nfs/dbraw/zinc/28/46/09/893284609.db2.gz PDIBEUSLHLJQSC-HNNXBMFYSA-N 1 0 375.904 3.727 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000876690293 893291025 /nfs/dbraw/zinc/29/10/25/893291025.db2.gz UGUDAIFXJAZNJJ-PKOBYXMFSA-N 1 0 392.858 3.518 20 30 GHEDRO COc1ccc(C(C)N=Nc2nc(-c3cccnc3)no2)cc1C[NH+]1CCCC1 ZINC000814947823 893294419 /nfs/dbraw/zinc/29/44/19/893294419.db2.gz LDAPCEONFNITMV-UHFFFAOYSA-N 1 0 392.463 3.572 20 30 GHEDRO CC(C)(C)OC(=O)CC[N@H+](Cc1ccc(Cl)cc1C#N)C1CCOCC1 ZINC000563067407 893334608 /nfs/dbraw/zinc/33/46/08/893334608.db2.gz GSWJERVBOSTVDF-UHFFFAOYSA-N 1 0 378.900 3.924 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(Br)cc1OC ZINC000877012376 893433246 /nfs/dbraw/zinc/43/32/46/893433246.db2.gz RPBBYOOJJINNMU-KGLIPLIRSA-N 1 0 387.705 3.591 20 30 GHEDRO C=CCc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc(OC)c1OC ZINC000021962587 893438107 /nfs/dbraw/zinc/43/81/07/893438107.db2.gz GEOXYNFVUQIFPS-UHFFFAOYSA-N 1 0 394.515 3.958 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071026 893468291 /nfs/dbraw/zinc/46/82/91/893468291.db2.gz BLHKXGWRZKGBOT-SJORKVTESA-N 1 0 393.478 3.945 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1C#N ZINC000815156081 893492433 /nfs/dbraw/zinc/49/24/33/893492433.db2.gz UDUNIIOHUIMDKZ-YWZLYKJASA-N 1 0 381.451 3.548 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC000815154371 893492595 /nfs/dbraw/zinc/49/25/95/893492595.db2.gz AJRDTCSDPDKDDE-HTAPYJJXSA-N 1 0 380.463 3.680 20 30 GHEDRO C[C@@]1(NC(=O)c2cccc(C#N)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000563235008 893508885 /nfs/dbraw/zinc/50/88/85/893508885.db2.gz YESUVSVXVOFNCI-HXUWFJFHSA-N 1 0 398.304 3.715 20 30 GHEDRO Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)CC2=O)c1 ZINC001137117744 893552632 /nfs/dbraw/zinc/55/26/32/893552632.db2.gz DRWRNZAOUFKKCV-HSZRJFAPSA-N 1 0 375.472 3.526 20 30 GHEDRO Cc1ccc2nc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC000498222139 893635067 /nfs/dbraw/zinc/63/50/67/893635067.db2.gz QKPNKQFTWHDSIF-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000536733816 893653874 /nfs/dbraw/zinc/65/38/74/893653874.db2.gz HOKQYSGOVVIOQQ-UHFFFAOYSA-N 1 0 397.563 3.858 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001137121581 893654058 /nfs/dbraw/zinc/65/40/58/893654058.db2.gz SVDRIMUMKFYBEC-XWVZOOPGSA-N 1 0 377.532 3.984 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000877545974 893680270 /nfs/dbraw/zinc/68/02/70/893680270.db2.gz NWHCLZPJOAHKRZ-ZWKOTPCHSA-N 1 0 391.556 3.997 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1C#N ZINC000459558190 893805226 /nfs/dbraw/zinc/80/52/26/893805226.db2.gz ITTBNDKGXFBFGJ-AWEZNQCLSA-N 1 0 397.426 3.766 20 30 GHEDRO Cc1csc([C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)n1 ZINC000877815010 893822321 /nfs/dbraw/zinc/82/23/21/893822321.db2.gz ZRTMASZRSIXRLM-QGZVFWFLSA-N 1 0 378.505 3.613 20 30 GHEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000609280848 893865513 /nfs/dbraw/zinc/86/55/13/893865513.db2.gz QPHWMJXQNNMGLE-UGKGYDQZSA-N 1 0 380.488 3.728 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000878047896 893979190 /nfs/dbraw/zinc/97/91/90/893979190.db2.gz KREZNXCJVKAJKB-NZQKXSOJSA-N 1 0 376.456 3.993 20 30 GHEDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1SC ZINC000459655714 893993926 /nfs/dbraw/zinc/99/39/26/893993926.db2.gz FFFAJBPSDCSILS-UHFFFAOYSA-N 1 0 398.532 3.884 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000459655772 893994671 /nfs/dbraw/zinc/99/46/71/893994671.db2.gz FKZDRKJYRNQPJN-BBRMVZONSA-N 1 0 394.313 3.572 20 30 GHEDRO C=C(C)c1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000934874341 894000889 /nfs/dbraw/zinc/00/08/89/894000889.db2.gz AEAKEHKQTKHINJ-UHFFFAOYSA-N 1 0 379.504 3.998 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000129854774 894015386 /nfs/dbraw/zinc/01/53/86/894015386.db2.gz BXYMEGKUJVKRRI-UHFFFAOYSA-N 1 0 386.536 3.988 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000459722424 894106371 /nfs/dbraw/zinc/10/63/71/894106371.db2.gz WREVNUOPMGPUPS-ZFWWWQNUSA-N 1 0 396.329 3.960 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000878256875 894133000 /nfs/dbraw/zinc/13/30/00/894133000.db2.gz ZDGUVVXVVQIAPA-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO C[C@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816010262 894367268 /nfs/dbraw/zinc/36/72/68/894367268.db2.gz CHYQZTIVAIRQJG-FXAWDEMLSA-N 1 0 377.488 3.692 20 30 GHEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000537129098 894373672 /nfs/dbraw/zinc/37/36/72/894373672.db2.gz FRFKUDZTBKMJLZ-OAQYLSRUSA-N 1 0 379.504 3.950 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000564078673 894555492 /nfs/dbraw/zinc/55/54/92/894555492.db2.gz VQQXTPPYVWQFHH-ZTNFWEORSA-N 1 0 390.405 3.657 20 30 GHEDRO C[C@H]1COCC[C@H]1Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001170816265 894625970 /nfs/dbraw/zinc/62/59/70/894625970.db2.gz IKTPFAOZAIZDKD-SIKLNZKXSA-N 1 0 390.531 3.976 20 30 GHEDRO C#CCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000878800776 894628927 /nfs/dbraw/zinc/62/89/27/894628927.db2.gz BKSKJJSKLMXAPZ-UFYCRDLUSA-N 1 0 378.557 3.964 20 30 GHEDRO C[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000878936773 894735616 /nfs/dbraw/zinc/73/56/16/894735616.db2.gz KVZVIHWPNZUFEA-INIZCTEOSA-N 1 0 382.439 3.639 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)C(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000564293458 894829152 /nfs/dbraw/zinc/82/91/52/894829152.db2.gz MCVOYMKMZJVNQK-IEBWSBKVSA-N 1 0 396.560 3.709 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000879105193 894839582 /nfs/dbraw/zinc/83/95/82/894839582.db2.gz WIIPQYLDLXCZOC-SFHVURJKSA-N 1 0 379.545 3.856 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c(OC)n1 ZINC000564379354 894915097 /nfs/dbraw/zinc/91/50/97/894915097.db2.gz MLUUCZRDPCASAX-UHFFFAOYSA-N 1 0 389.455 3.839 20 30 GHEDRO C#C[C@@H]([NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)C(C)(C)C ZINC000816612409 894973129 /nfs/dbraw/zinc/97/31/29/894973129.db2.gz NZSKWGSCUHMAHR-FAFZWHIHSA-N 1 0 376.928 3.784 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000888776677 895114039 /nfs/dbraw/zinc/11/40/39/895114039.db2.gz DESBFTUHABSZDX-NVXWUHKLSA-N 1 0 386.565 3.732 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000879566272 895140108 /nfs/dbraw/zinc/14/01/08/895140108.db2.gz DXADQIJYGNPNTG-FQEVSTJZSA-N 1 0 376.928 3.666 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000879566273 895140455 /nfs/dbraw/zinc/14/04/55/895140455.db2.gz DXADQIJYGNPNTG-HXUWFJFHSA-N 1 0 376.928 3.666 20 30 GHEDRO C=C(C)COCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000626125144 895166533 /nfs/dbraw/zinc/16/65/33/895166533.db2.gz FCXPAVGZXDNDMU-WOJBJXKFSA-N 1 0 384.545 3.673 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(CC#N)cc1 ZINC000533907455 895211645 /nfs/dbraw/zinc/21/16/45/895211645.db2.gz YNWVSXUNBYDDLF-QFIPXVFZSA-N 1 0 375.516 3.955 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000879755685 895274345 /nfs/dbraw/zinc/27/43/45/895274345.db2.gz OARAPBAERGEPIV-MSOLQXFVSA-N 1 0 377.529 3.561 20 30 GHEDRO FC(F)Oc1ccccc1C=NOCc1ccc(CN2CCOCC2)cc1 ZINC000817377660 895551635 /nfs/dbraw/zinc/55/16/35/895551635.db2.gz PCMZTWDMGSBOPR-UHFFFAOYSA-N 1 0 376.403 3.671 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000565500764 895678542 /nfs/dbraw/zinc/67/85/42/895678542.db2.gz FQQYLNZYNXKGSG-XXBNENTESA-N 1 0 391.515 3.887 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000880467800 895721733 /nfs/dbraw/zinc/72/17/33/895721733.db2.gz JYLSAXRTJGNSFY-PBHICJAKSA-N 1 0 375.538 3.622 20 30 GHEDRO COC[C@@]1(C[NH2+][C@H](CCC#N)c2ccc(OC)cc2)OCCc2ccccc21 ZINC000565568477 895729524 /nfs/dbraw/zinc/72/95/24/895729524.db2.gz FVVJZZNZYSDGER-DHIUTWEWSA-N 1 0 380.488 3.744 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000565651510 895788221 /nfs/dbraw/zinc/78/82/21/895788221.db2.gz HLYFRXYOJGBPIO-UHFFFAOYSA-N 1 0 394.544 3.817 20 30 GHEDRO C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001170880719 895919831 /nfs/dbraw/zinc/91/98/31/895919831.db2.gz DVLDQZOZEVCPHW-IEBWSBKVSA-N 1 0 387.524 3.810 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1OC ZINC000818221256 896087610 /nfs/dbraw/zinc/08/76/10/896087610.db2.gz QDPKVGWJFKPDNY-IBGZPJMESA-N 1 0 382.504 3.885 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000566422731 896303245 /nfs/dbraw/zinc/30/32/45/896303245.db2.gz CHVXOPMYUZYNDP-SBUREZEXSA-N 1 0 378.520 3.857 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 ZINC000819049681 896340988 /nfs/dbraw/zinc/34/09/88/896340988.db2.gz FURDZUCMMONUSD-FPOVZHCZSA-N 1 0 387.886 3.638 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(NC3CC[NH+](Cc4ccncc4)CC3)n2)c1 ZINC000881822735 896541118 /nfs/dbraw/zinc/54/11/18/896541118.db2.gz WKCWDPYXWDAYTQ-UHFFFAOYSA-N 1 0 386.459 3.612 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C#N ZINC000041796296 896763110 /nfs/dbraw/zinc/76/31/10/896763110.db2.gz LJVUTJXFSCDDGQ-MRXNPFEDSA-N 1 0 386.546 3.647 20 30 GHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[NH+]1CCCCCCC1)CCCC2 ZINC000042122046 897178694 /nfs/dbraw/zinc/17/86/94/897178694.db2.gz YHLXHBIEFCPGKU-GOSISDBHSA-N 1 0 398.551 3.622 20 30 GHEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000567486305 897196490 /nfs/dbraw/zinc/19/64/90/897196490.db2.gz FHRMOYZUMANWBF-UHFFFAOYSA-N 1 0 392.494 3.560 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NCc2ccon2)cc1 ZINC000131089538 897319794 /nfs/dbraw/zinc/31/97/94/897319794.db2.gz NKJAHOUKTQIESP-UHFFFAOYSA-O 1 0 394.520 3.870 20 30 GHEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000567684284 897335810 /nfs/dbraw/zinc/33/58/10/897335810.db2.gz GCDYPJHZSYTCIN-WMLDXEAASA-N 1 0 389.849 3.606 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]([C@@H]2CCOC2)C1 ZINC000883221023 897381131 /nfs/dbraw/zinc/38/11/31/897381131.db2.gz SPXQVZNRRXZJFF-WKXIVMOISA-N 1 0 391.556 3.568 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000820552478 897389143 /nfs/dbraw/zinc/38/91/43/897389143.db2.gz ODKBVIZBYFVEGU-UHFFFAOYSA-N 1 0 376.416 3.556 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000883345449 897514851 /nfs/dbraw/zinc/51/48/51/897514851.db2.gz CGGFMFSDVVGNNW-PGRDOPGGSA-N 1 0 376.504 3.874 20 30 GHEDRO Cc1cc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc(C)c1C#N ZINC001136389575 897606612 /nfs/dbraw/zinc/60/66/12/897606612.db2.gz CJNWTACIFVHRPF-UHFFFAOYSA-N 1 0 388.515 3.959 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN(CC[NH+]3CCCCCC3)C3CCC3)o2)c1 ZINC000568142929 897632600 /nfs/dbraw/zinc/63/26/00/897632600.db2.gz QLZCKEFWPVWZJJ-UHFFFAOYSA-N 1 0 379.508 3.839 20 30 GHEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCc2ccccc21 ZINC000042635310 897685721 /nfs/dbraw/zinc/68/57/21/897685721.db2.gz WRMTZJVHTAPCIV-HXUWFJFHSA-N 1 0 386.417 3.792 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CC1 ZINC000132605291 897842153 /nfs/dbraw/zinc/84/21/53/897842153.db2.gz GWRXSXNCRNSSGW-UHFFFAOYSA-N 1 0 390.531 3.908 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000821342242 897844589 /nfs/dbraw/zinc/84/45/89/897844589.db2.gz MFFRTJFPOLZWBB-LEWJYISDSA-N 1 0 393.487 3.847 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccccc1 ZINC000568475238 897869277 /nfs/dbraw/zinc/86/92/77/897869277.db2.gz WOYMKJFOXRFIJY-RXVVDRJESA-N 1 0 376.504 3.883 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000282837752 897970474 /nfs/dbraw/zinc/97/04/74/897970474.db2.gz VHEOFAUCZXVWAW-FQEVSTJZSA-N 1 0 377.536 3.949 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC001136465421 897973486 /nfs/dbraw/zinc/97/34/86/897973486.db2.gz MXHOGNAJUZMCHE-GOSISDBHSA-N 1 0 392.341 3.634 20 30 GHEDRO COc1ccc(C)cc1C(=O)C(C(=S)NCCCSC)[n+]1ccccc1 ZINC000132979048 898040642 /nfs/dbraw/zinc/04/06/42/898040642.db2.gz PXWDECKOMZBNAO-UHFFFAOYSA-O 1 0 389.566 3.573 20 30 GHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)CSCc3ccc(C#N)cc3)cccc21 ZINC000568697874 898042782 /nfs/dbraw/zinc/04/27/82/898042782.db2.gz YZUNGWLZCFHJBK-LJQANCHMSA-N 1 0 381.501 3.815 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)CC1 ZINC000106034048 898247501 /nfs/dbraw/zinc/24/75/01/898247501.db2.gz RKMZVYBHUBTOQF-UHFFFAOYSA-N 1 0 387.524 3.572 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 ZINC000106039468 898248563 /nfs/dbraw/zinc/24/85/63/898248563.db2.gz WDOYRDPMPQYLED-UHFFFAOYSA-N 1 0 390.524 3.653 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000569225956 898444422 /nfs/dbraw/zinc/44/44/22/898444422.db2.gz RJLNWLNBAKBEBN-CQSZACIVSA-N 1 0 378.354 3.852 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(n4ccnc4)CC3)sc2C1 ZINC000109795675 898596898 /nfs/dbraw/zinc/59/68/98/898596898.db2.gz UQUKUUYQQRTPNM-HNNXBMFYSA-N 1 0 397.548 3.607 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000569392313 898611333 /nfs/dbraw/zinc/61/13/33/898611333.db2.gz DMTGHIPDAHHRBQ-UHFFFAOYSA-N 1 0 385.458 3.910 20 30 GHEDRO Cc1cc(C)c(-c2csc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)c(C)c1 ZINC000884049665 898653882 /nfs/dbraw/zinc/65/38/82/898653882.db2.gz ZTYFBBKZJBQHKW-TZQQIIETSA-N 1 0 380.517 3.813 20 30 GHEDRO Cc1sc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)nc1-c1cccc(Cl)c1 ZINC000884052109 898671055 /nfs/dbraw/zinc/67/10/55/898671055.db2.gz FDDSVKGRNSIIDL-SHYRYGCCSA-N 1 0 386.908 3.850 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000569452074 898677327 /nfs/dbraw/zinc/67/73/27/898677327.db2.gz QPWCHVXHVPPRAP-XXBNENTESA-N 1 0 390.531 3.947 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110259729 898682552 /nfs/dbraw/zinc/68/25/52/898682552.db2.gz YCKNDDZBWCWETI-UHFFFAOYSA-N 1 0 395.528 3.627 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000884057538 898708436 /nfs/dbraw/zinc/70/84/36/898708436.db2.gz JWFZVOWSFJAUEN-YTQCASCJSA-N 1 0 379.891 3.685 20 30 GHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000569511330 898732141 /nfs/dbraw/zinc/73/21/41/898732141.db2.gz WWXXIXLRXOUNPP-UHFFFAOYSA-N 1 0 395.551 3.518 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC[C@H]21 ZINC000289669187 914287509 /nfs/dbraw/zinc/28/75/09/914287509.db2.gz DYTASDSTJZRFEI-HRAATJIYSA-N 1 0 391.475 3.694 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)CN(C)CCCOc1cccc(C#N)c1 ZINC000155513507 898843997 /nfs/dbraw/zinc/84/39/97/898843997.db2.gz CPXRGJQUUYKYSA-UHFFFAOYSA-N 1 0 387.867 3.560 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1nc3ccccc3n1C1CCCCC1)C2 ZINC000884090914 898846304 /nfs/dbraw/zinc/84/63/04/898846304.db2.gz JHJJNMDSHSSERF-BXFSZVDSSA-N 1 0 377.492 3.619 20 30 GHEDRO C#C[C@@H](NC(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000823186043 898876150 /nfs/dbraw/zinc/87/61/50/898876150.db2.gz IALDMJKPSHSPCD-DHIUTWEWSA-N 1 0 397.563 3.501 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000569703021 898895993 /nfs/dbraw/zinc/89/59/93/898895993.db2.gz QIUCHHDBMGVBMI-QFBILLFUSA-N 1 0 387.959 3.875 20 30 GHEDRO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2)C1 ZINC000884107062 898897912 /nfs/dbraw/zinc/89/79/12/898897912.db2.gz LDMXFQRDQFGXMY-QFCRPFCMSA-N 1 0 381.520 3.860 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(OCc3cccc(F)c3)c(F)c1)C2 ZINC000884124157 898978593 /nfs/dbraw/zinc/97/85/93/898978593.db2.gz PAGVODPDKFUWAF-JXORXQGFSA-N 1 0 397.425 3.622 20 30 GHEDRO CC(=O)Nc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113335233 898987368 /nfs/dbraw/zinc/98/73/68/898987368.db2.gz MDONBGJLZPSXCW-UHFFFAOYSA-N 1 0 387.487 3.754 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884127842 898998294 /nfs/dbraw/zinc/99/82/94/898998294.db2.gz OKACQUZOALYHHK-IZVJLQFHSA-N 1 0 398.507 3.574 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1Sc1ccccc1)C2 ZINC000884128553 899002052 /nfs/dbraw/zinc/00/20/52/899002052.db2.gz HBZWCQHDAVBKQH-WUZYXKQASA-N 1 0 377.513 3.593 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3cc(Br)ccc3c1)C2 ZINC000884133448 899023094 /nfs/dbraw/zinc/02/30/94/899023094.db2.gz ZBLYXPDCWCBDHW-HVEKOLDVSA-N 1 0 384.277 3.680 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000823617840 899136979 /nfs/dbraw/zinc/13/69/79/899136979.db2.gz NNKCTFNBVPVHLA-UZLBHIALSA-N 1 0 387.524 3.559 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289740503 914323499 /nfs/dbraw/zinc/32/34/99/914323499.db2.gz IVTNAJPOCYIKPK-HRAATJIYSA-N 1 0 391.475 3.836 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCCc2ccccc21)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000156119955 899391378 /nfs/dbraw/zinc/39/13/78/899391378.db2.gz SAMICQTWMWCAKK-RBBKRZOGSA-N 1 0 399.579 3.732 20 30 GHEDRO COCCC[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(Cl)cc1 ZINC000570570650 899399033 /nfs/dbraw/zinc/39/90/33/899399033.db2.gz ZUJSCPTZNVFGBD-QGZVFWFLSA-N 1 0 383.883 3.554 20 30 GHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000289781069 914343742 /nfs/dbraw/zinc/34/37/42/914343742.db2.gz LEXYYWIGEDTPMS-MRXNPFEDSA-N 1 0 379.464 3.599 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000332361771 899605276 /nfs/dbraw/zinc/60/52/76/899605276.db2.gz QVTJRZQGWPPYSE-HXUWFJFHSA-N 1 0 377.916 3.786 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000570997958 899705955 /nfs/dbraw/zinc/70/59/55/899705955.db2.gz INGFAJNQZXKZCF-XMSQKQJNSA-N 1 0 397.519 3.523 20 30 GHEDRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(OC)c1 ZINC000824733744 899792667 /nfs/dbraw/zinc/79/26/67/899792667.db2.gz XRPYLZAITXMQNA-HOTGVXAUSA-N 1 0 384.476 3.724 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1(c3ccc(Cl)cc3Cl)CCC1)C2 ZINC000884324007 899796453 /nfs/dbraw/zinc/79/64/53/899796453.db2.gz FATKXOKXBILEFE-DMAKZNTKSA-N 1 0 392.330 3.671 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000571442103 899868468 /nfs/dbraw/zinc/86/84/68/899868468.db2.gz PCWLIIYZGDOVQP-UHFFFAOYSA-N 1 0 385.333 3.765 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000121140904 899963311 /nfs/dbraw/zinc/96/33/11/899963311.db2.gz DAYPLDVMPVCDEX-VGSWGCGISA-N 1 0 377.488 3.549 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000333121261 899978848 /nfs/dbraw/zinc/97/88/48/899978848.db2.gz VAAUTHHLMQHABR-IEBWSBKVSA-N 1 0 379.508 3.695 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000333120800 899979251 /nfs/dbraw/zinc/97/92/51/899979251.db2.gz VAAUTHHLMQHABR-HKUYNNGSSA-N 1 0 379.508 3.695 20 30 GHEDRO CCN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000884417666 900068993 /nfs/dbraw/zinc/06/89/93/900068993.db2.gz NQPRVTJHORBSQP-JWPJJUSYSA-N 1 0 393.453 3.624 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)C2 ZINC000884428099 900074260 /nfs/dbraw/zinc/07/42/60/900074260.db2.gz RXHMYDJEBQDXEA-GNZRSQJKSA-N 1 0 391.437 3.583 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000135333685 900226191 /nfs/dbraw/zinc/22/61/91/900226191.db2.gz XCHAJHLWYQXRFX-INIZCTEOSA-N 1 0 388.468 3.748 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1OC ZINC000572624695 900238620 /nfs/dbraw/zinc/23/86/20/900238620.db2.gz XIHLRMXXXDDCEM-CYBMUJFWSA-N 1 0 387.867 3.827 20 30 GHEDRO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001143723414 900442243 /nfs/dbraw/zinc/44/22/43/900442243.db2.gz DWERLOWFDMVVDU-PKTZIBPZSA-N 1 0 395.934 3.729 20 30 GHEDRO Cc1nsc(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000573542271 900547921 /nfs/dbraw/zinc/54/79/21/900547921.db2.gz YAINYYVWNFVMAS-WMLDXEAASA-N 1 0 383.521 3.745 20 30 GHEDRO C=C[C@H](CC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccccc1 ZINC000844163912 900581947 /nfs/dbraw/zinc/58/19/47/900581947.db2.gz OOAKWMUAKDHIQT-QGZVFWFLSA-N 1 0 378.472 3.894 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000573773201 900631538 /nfs/dbraw/zinc/63/15/38/900631538.db2.gz DELGRFKNJGWIPO-UHFFFAOYSA-N 1 0 394.494 3.593 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000573839899 900657518 /nfs/dbraw/zinc/65/75/18/900657518.db2.gz KSJNQYJGMKYSHR-OAHLLOKOSA-N 1 0 378.354 3.852 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844291476 900682003 /nfs/dbraw/zinc/68/20/03/900682003.db2.gz VTKMSYDQOGHRQX-YOEHRIQHSA-N 1 0 388.468 3.734 20 30 GHEDRO CC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000042755460 900686667 /nfs/dbraw/zinc/68/66/67/900686667.db2.gz CKSKPHRMCRLVPK-UHFFFAOYSA-N 1 0 376.460 3.501 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136515990 900693212 /nfs/dbraw/zinc/69/32/12/900693212.db2.gz BJJQKJTUOZETJK-MRXNPFEDSA-O 1 0 395.504 3.594 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)c(F)c1F)CC2 ZINC001143903091 900710380 /nfs/dbraw/zinc/71/03/80/900710380.db2.gz QZNVQJDYZVCRFA-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000844317741 900725298 /nfs/dbraw/zinc/72/52/98/900725298.db2.gz JRSYJWPMRICYBK-YOEHRIQHSA-N 1 0 388.468 3.592 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCc2ccccc21 ZINC000844425040 900827955 /nfs/dbraw/zinc/82/79/55/900827955.db2.gz NTTGTUWIAJGOED-JXFKEZNVSA-N 1 0 382.467 3.885 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@H](O)CC1(C#N)CCC1)CC2 ZINC000886168747 900856039 /nfs/dbraw/zinc/85/60/39/900856039.db2.gz YDQHGQPQLIZSMJ-GOSISDBHSA-N 1 0 391.556 3.544 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056159861 900870671 /nfs/dbraw/zinc/87/06/71/900870671.db2.gz UAMNQLWEEHAKHS-LSDHHAIUSA-N 1 0 391.475 3.520 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(F)c(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000574468787 900900017 /nfs/dbraw/zinc/90/00/17/900900017.db2.gz APLDOFKBOSMMGS-NRFANRHFSA-N 1 0 381.451 3.663 20 30 GHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000574847907 901035913 /nfs/dbraw/zinc/03/59/13/901035913.db2.gz XXJPDRQJLQBZDS-UHFFFAOYSA-N 1 0 397.567 3.569 20 30 GHEDRO COC(=O)Cc1ccc(NN=C(C)c2ccc(O)c(C[NH+]3CCCCC3)c2)cc1 ZINC000844607205 901073805 /nfs/dbraw/zinc/07/38/05/901073805.db2.gz SYKLLSBKOAGQCQ-UHFFFAOYSA-N 1 0 395.503 3.930 20 30 GHEDRO Cc1cnc(Cl)c(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000844640997 901127299 /nfs/dbraw/zinc/12/72/99/901127299.db2.gz MRAGVSGRMQARFU-UHFFFAOYSA-N 1 0 383.883 3.701 20 30 GHEDRO C=CCC1(O)CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000886771316 901263580 /nfs/dbraw/zinc/26/35/80/901263580.db2.gz GJUVYMUOSKXCGW-OAQYLSRUSA-N 1 0 384.545 3.747 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979527 901371089 /nfs/dbraw/zinc/37/10/89/901371089.db2.gz ODEZZIYALZFMED-MRXNPFEDSA-N 1 0 387.549 3.552 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000575957855 901519452 /nfs/dbraw/zinc/51/94/52/901519452.db2.gz UKKHOYPVEQFBHG-OAHLLOKOSA-N 1 0 375.879 3.597 20 30 GHEDRO C#CC[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000845076730 901772414 /nfs/dbraw/zinc/77/24/14/901772414.db2.gz NZAXIFAYTBJGKO-QHCPKHFHSA-N 1 0 386.499 3.586 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1C#N ZINC000122709088 901827429 /nfs/dbraw/zinc/82/74/29/901827429.db2.gz UHAZMQIIMHPJQP-SBUREZEXSA-N 1 0 380.488 3.982 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])[C@H](C)Cc3cccc(C#N)c3)nc3ccc(C)cc3n12 ZINC001171189468 902226098 /nfs/dbraw/zinc/22/60/98/902226098.db2.gz GVKFVCLGNUDELH-QGZVFWFLSA-N 1 0 398.514 3.767 20 30 GHEDRO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171189732 902228803 /nfs/dbraw/zinc/22/88/03/902228803.db2.gz KLDBATWUJXFHJC-NIDLKEISSA-N 1 0 389.543 3.905 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000576754752 902237949 /nfs/dbraw/zinc/23/79/49/902237949.db2.gz IALKSVHMWYAKSE-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@@H](C)Cc3cccc(C#N)c3)cc2)CC1 ZINC001171190595 902255418 /nfs/dbraw/zinc/25/54/18/902255418.db2.gz WIXPJGQKTGPQKJ-PDYGVTHMSA-N 1 0 390.531 3.744 20 30 GHEDRO COC(=O)c1ccccc1CN1CCC([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171195354 902284940 /nfs/dbraw/zinc/28/49/40/902284940.db2.gz RVZYKQRMXKUJRK-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@@H](Oc1ccccc1)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001144505093 902286178 /nfs/dbraw/zinc/28/61/78/902286178.db2.gz TUYVFYYAHNQWET-DUXKGJEZSA-N 1 0 377.488 3.624 20 30 GHEDRO C[C@@H]1CN(CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000047699429 902298098 /nfs/dbraw/zinc/29/80/98/902298098.db2.gz DLFPXJLYMJMHQX-BGYRXZFFSA-N 1 0 393.531 3.726 20 30 GHEDRO COC(=O)c1ccc(CN2CCC([NH2+][C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171196371 902311429 /nfs/dbraw/zinc/31/14/29/902311429.db2.gz ZXIZELWKRMVFLC-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000576864009 902312745 /nfs/dbraw/zinc/31/27/45/902312745.db2.gz OQRAJAOPKHMVBN-UZLBHIALSA-N 1 0 386.879 3.649 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(C[C@H](NC(=O)NC)c4cc(C)ccc43)CC2)cc1 ZINC001144572213 902403713 /nfs/dbraw/zinc/40/37/13/902403713.db2.gz UDCBVPCRMHXSJW-QHCPKHFHSA-N 1 0 387.527 3.884 20 30 GHEDRO CCN(Cc1ccc(OC)cc1OC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000577121083 902519006 /nfs/dbraw/zinc/51/90/06/902519006.db2.gz KJBVXYMRNKROEK-NRFANRHFSA-N 1 0 393.487 3.593 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001171208799 902634038 /nfs/dbraw/zinc/63/40/38/902634038.db2.gz FAGABRZSUBPVNA-JPYJTQIMSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001171209997 902669323 /nfs/dbraw/zinc/66/93/23/902669323.db2.gz OWLBYUHDYPSIBH-GOSISDBHSA-N 1 0 399.535 3.591 20 30 GHEDRO Cc1cccc(N([C@H](C)Cc2cccc(C#N)c2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001171210967 902682917 /nfs/dbraw/zinc/68/29/17/902682917.db2.gz ASSGMJSSPHLPSB-CTUHWIOQSA-N 1 0 375.516 3.825 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC2CCOCC2)cc1 ZINC000263926962 902688887 /nfs/dbraw/zinc/68/88/87/902688887.db2.gz ZXNJMXBAVYTABK-UHFFFAOYSA-O 1 0 389.928 3.643 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001171211705 902693733 /nfs/dbraw/zinc/69/37/33/902693733.db2.gz GOTFRAMYUGMKQH-RKNIQEAPSA-N 1 0 391.515 3.723 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CC1 ZINC000646543649 914652471 /nfs/dbraw/zinc/65/24/71/914652471.db2.gz BWYRJQSDQMBCEF-UHFFFAOYSA-N 1 0 377.901 3.630 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001171218396 902776771 /nfs/dbraw/zinc/77/67/71/902776771.db2.gz UWVWFDBZGFIIMJ-YADARESESA-N 1 0 388.515 3.541 20 30 GHEDRO C=CC1CC[NH+]([C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000600679951 902816866 /nfs/dbraw/zinc/81/68/66/902816866.db2.gz LWGXOPICNNDUNC-JOCHJYFZSA-N 1 0 378.472 3.671 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000600716874 902841364 /nfs/dbraw/zinc/84/13/64/902841364.db2.gz MYKFSLAAXDAJLC-JOCHJYFZSA-N 1 0 388.467 3.667 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000600724927 902847249 /nfs/dbraw/zinc/84/72/49/902847249.db2.gz UZPLZGDYJXNBME-SFHVURJKSA-N 1 0 390.405 3.638 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(Sc3ccccc3)cc2)CCOCC1 ZINC000600729196 902851885 /nfs/dbraw/zinc/85/18/85/902851885.db2.gz SJZQLSPETNCJNO-LJQANCHMSA-N 1 0 382.529 3.999 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000600730467 902853124 /nfs/dbraw/zinc/85/31/24/902853124.db2.gz HQVZCFQQLJRDFR-GFCCVEGCSA-N 1 0 377.204 3.612 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccncc3)cc2)CC1 ZINC000264339145 903032080 /nfs/dbraw/zinc/03/20/80/903032080.db2.gz BNFIHVVURWQLOJ-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001171230607 903038751 /nfs/dbraw/zinc/03/87/51/903038751.db2.gz FHGNYSLXMFDYLJ-CQSZACIVSA-N 1 0 389.425 3.557 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000846652582 903116072 /nfs/dbraw/zinc/11/60/72/903116072.db2.gz QQAHSMPFBDYBSL-UHFFFAOYSA-N 1 0 385.467 3.599 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)ccc1C#N ZINC000577803469 903212971 /nfs/dbraw/zinc/21/29/71/903212971.db2.gz UAZWDLWUVKRAGM-HNNXBMFYSA-N 1 0 385.895 3.747 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](CCCOc1cccc(C#N)c1)CC2 ZINC000847010082 903393107 /nfs/dbraw/zinc/39/31/07/903393107.db2.gz WBHXXRVQVMDYMA-UHFFFAOYSA-N 1 0 385.508 3.660 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000847057265 903436536 /nfs/dbraw/zinc/43/65/36/903436536.db2.gz IBOYRWKGXYHYJN-FQEVSTJZSA-N 1 0 399.535 3.535 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000578053654 903479208 /nfs/dbraw/zinc/47/92/08/903479208.db2.gz UFRPSZZWGDBESY-GGPKGHCWSA-N 1 0 399.416 3.824 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccc(C)cc2)s1 ZINC000134216633 903481455 /nfs/dbraw/zinc/48/14/55/903481455.db2.gz VRXHWHBLTFCTIQ-MRXNPFEDSA-O 1 0 389.566 3.750 20 30 GHEDRO N#CC1(Nc2ccc3nsnc3c2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC001171276763 903523964 /nfs/dbraw/zinc/52/39/64/903523964.db2.gz HGZUYYOLFPNGLQ-UHFFFAOYSA-N 1 0 394.460 3.570 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779050666 903542286 /nfs/dbraw/zinc/54/22/86/903542286.db2.gz WRWFBDDINGGHPF-UYAOXDASSA-N 1 0 377.488 3.731 20 30 GHEDRO CC1(c2cccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2)OCCO1 ZINC001171278139 903552908 /nfs/dbraw/zinc/55/29/08/903552908.db2.gz VJWSNTBYDYLAHD-UHFFFAOYSA-N 1 0 377.488 3.876 20 30 GHEDRO N#CC1(Nc2cc(OCC(F)(F)F)ccn2)CC[NH+](Cc2ccccc2)CC1 ZINC001171282304 903580274 /nfs/dbraw/zinc/58/02/74/903580274.db2.gz HZRDTWFGFRWWOL-UHFFFAOYSA-N 1 0 390.409 3.993 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000578177570 903588583 /nfs/dbraw/zinc/58/85/83/903588583.db2.gz XPLZVQHQHHRWKQ-UWJYYQICSA-N 1 0 390.535 3.846 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000578388648 903794312 /nfs/dbraw/zinc/79/43/12/903794312.db2.gz KVYVGNTUXUZPJH-GOSISDBHSA-N 1 0 399.510 3.722 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000772982948 903857541 /nfs/dbraw/zinc/85/75/41/903857541.db2.gz GHKXBWQJDISWFP-ZFJSRUIDSA-N 1 0 393.531 3.747 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2)c1 ZINC000772982956 903858771 /nfs/dbraw/zinc/85/87/71/903858771.db2.gz GIJAZLDUEZRIDN-LPHOPBHVSA-N 1 0 381.476 3.883 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000772985764 903874400 /nfs/dbraw/zinc/87/44/00/903874400.db2.gz YFCWSVNCVQKFKB-KXBFYZLASA-N 1 0 396.447 3.783 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(-c2ccccc2)n1 ZINC000151419525 904128090 /nfs/dbraw/zinc/12/80/90/904128090.db2.gz FQOHZSUSCDYYTQ-TZIWHRDSSA-N 1 0 382.533 3.608 20 30 GHEDRO C[C@@H](C#N)c1cccc(C(=O)NCCCP(CCC[NH3+])c2ccccc2)c1 ZINC001148629161 904146147 /nfs/dbraw/zinc/14/61/47/904146147.db2.gz NBQLRJXKIUDSDF-HSYKDVHTSA-N 1 0 381.460 3.590 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000578849768 904178846 /nfs/dbraw/zinc/17/88/46/904178846.db2.gz RFDNWZMLSOXUNV-APWZRJJASA-N 1 0 386.496 3.641 20 30 GHEDRO Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c(C[NH+](C)C)c1 ZINC000151758618 904190293 /nfs/dbraw/zinc/19/02/93/904190293.db2.gz CVBYKCBGOVXRFY-UHFFFAOYSA-N 1 0 378.476 3.676 20 30 GHEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000578999661 904282710 /nfs/dbraw/zinc/28/27/10/904282710.db2.gz BMPYGAQMLYLTLQ-PKTZIBPZSA-N 1 0 397.494 3.842 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(CC#N)cc2)[C@@H]1c1cccs1 ZINC000579105894 904353979 /nfs/dbraw/zinc/35/39/79/904353979.db2.gz KFYNEDSFXYDJDE-AZUAARDMSA-N 1 0 382.533 3.696 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000579299309 904492669 /nfs/dbraw/zinc/49/26/69/904492669.db2.gz RPSREPCZUVLELZ-PZJWPPBQSA-N 1 0 391.515 3.744 20 30 GHEDRO C=CCn1c(C)nn(CN2CCC(CC[N@@H+](CC)CC(C)C)CC2)c1=S ZINC000773271451 904640079 /nfs/dbraw/zinc/64/00/79/904640079.db2.gz KZSDNZBLVBPBED-UHFFFAOYSA-N 1 0 379.618 3.946 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000188130016 904877179 /nfs/dbraw/zinc/87/71/79/904877179.db2.gz SCKWCVARYTUZAG-HXUWFJFHSA-N 1 0 392.503 3.612 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC001171876613 905080855 /nfs/dbraw/zinc/08/08/55/905080855.db2.gz GBNHJTHJAPJMIL-OAQYLSRUSA-N 1 0 377.488 3.612 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000779170514 905141546 /nfs/dbraw/zinc/14/15/46/905141546.db2.gz AASDHEINRRSRHE-UHFFFAOYSA-N 1 0 384.911 3.659 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000174003318 905185316 /nfs/dbraw/zinc/18/53/16/905185316.db2.gz IRMBPSJQFIKBNC-KURKYZTESA-N 1 0 377.488 3.658 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCc3ccccc3OC1)CCCC2 ZINC000801576374 921144884 /nfs/dbraw/zinc/14/48/84/921144884.db2.gz ZQHBGHAUMIJKKN-INIZCTEOSA-N 1 0 395.528 3.811 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172305673 905459734 /nfs/dbraw/zinc/45/97/34/905459734.db2.gz TWLYMTAGGZLIOL-SFHVURJKSA-N 1 0 390.531 3.857 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@@H+]([C@H](C)Cc4ccc(C#N)cc4)C3)CC2=O)s1 ZINC001172307802 905465244 /nfs/dbraw/zinc/46/52/44/905465244.db2.gz JMOSNZBUVWAGPN-ZHRRBRCNSA-N 1 0 379.529 3.988 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001172312772 905469227 /nfs/dbraw/zinc/46/92/27/905469227.db2.gz JGWIVLTXDVSKLT-KRWDZBQOSA-N 1 0 387.487 3.647 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001172353696 905523749 /nfs/dbraw/zinc/52/37/49/905523749.db2.gz AOJFERWMXNIQFU-OFNKIYASSA-N 1 0 393.616 3.965 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CN(CCOC)C(=O)[C@@H]2COC)CC1 ZINC001172355053 905525333 /nfs/dbraw/zinc/52/53/33/905525333.db2.gz MBTISRDBJXSWNL-RTWAWAEBSA-N 1 0 396.616 3.959 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001172477819 905556586 /nfs/dbraw/zinc/55/65/86/905556586.db2.gz ALDUABUBVZIMAM-SFHVURJKSA-N 1 0 386.540 3.916 20 30 GHEDRO C[C@@H](CCCC#N)N(c1cc(-c2ccc(C[NH3+])cc2)nn(C)c1=O)C(C)(C)C ZINC001172492888 905595966 /nfs/dbraw/zinc/59/59/66/905595966.db2.gz VGDHVYNBSKOTEL-INIZCTEOSA-N 1 0 381.524 3.593 20 30 GHEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001172501207 905600162 /nfs/dbraw/zinc/60/01/62/905600162.db2.gz ARJPXJWMUYMDIQ-FQEVSTJZSA-N 1 0 395.613 3.935 20 30 GHEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001172506004 905601589 /nfs/dbraw/zinc/60/15/89/905601589.db2.gz ZAOYAHMRWYXZNX-JAXLGGSGSA-N 1 0 382.589 3.902 20 30 GHEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC001172506020 905602154 /nfs/dbraw/zinc/60/21/54/905602154.db2.gz ZHSLMYYJVCVLBR-ITTUMRLJSA-N 1 0 382.589 3.852 20 30 GHEDRO CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001172506675 905604377 /nfs/dbraw/zinc/60/43/77/905604377.db2.gz ZCKLMMVOEALQMN-WOJBJXKFSA-N 1 0 392.588 3.704 20 30 GHEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001172511258 905605629 /nfs/dbraw/zinc/60/56/29/905605629.db2.gz PJEBBVUYBDSKRJ-DENIHFKCSA-N 1 0 379.589 3.719 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172681379 905762781 /nfs/dbraw/zinc/76/27/81/905762781.db2.gz LCODRSMSIJJURT-VXKWHMMOSA-N 1 0 389.499 3.593 20 30 GHEDRO COC(=O)N1CCC([NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)CC1 ZINC001172740157 905781691 /nfs/dbraw/zinc/78/16/91/905781691.db2.gz XTMLJZXAVDCQCI-UHFFFAOYSA-N 1 0 388.471 3.663 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000176273894 905804521 /nfs/dbraw/zinc/80/45/21/905804521.db2.gz OLSNEWUZIVGKAR-ROUUACIJSA-N 1 0 388.581 3.683 20 30 GHEDRO Cc1cc(Br)cc(C)c1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000176552042 905872172 /nfs/dbraw/zinc/87/21/72/905872172.db2.gz LWJIILBIXVVZPY-UHFFFAOYSA-N 1 0 381.318 3.765 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000628190882 906004093 /nfs/dbraw/zinc/00/40/93/906004093.db2.gz TVAJWRYTWTWGRI-YTQUADARSA-N 1 0 394.943 3.597 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)C[C@H]1C#N ZINC001172969352 906032019 /nfs/dbraw/zinc/03/20/19/906032019.db2.gz XXJFAACFSDRKLA-CABCVRRESA-N 1 0 381.423 3.669 20 30 GHEDRO Cc1cccc2c(CC[NH3+])cn([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c21 ZINC001172972382 906035589 /nfs/dbraw/zinc/03/55/89/906035589.db2.gz XVEILDCRUAESTO-ROUUACIJSA-N 1 0 382.508 3.915 20 30 GHEDRO COc1ccccc1CC(C)(C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978364 906045829 /nfs/dbraw/zinc/04/58/29/906045829.db2.gz PJGQGJQIBGZNMQ-MSOLQXFVSA-N 1 0 387.524 3.898 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2COc3cc(Cl)ccc32)C[C@H]1C#N ZINC001172978867 906046289 /nfs/dbraw/zinc/04/62/89/906046289.db2.gz TVXRMAOAFNLHMS-YCPHGPKFSA-N 1 0 377.872 3.655 20 30 GHEDRO Cc1cccn2c([C@H](C)[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)cnc12 ZINC001172981549 906047272 /nfs/dbraw/zinc/04/72/72/906047272.db2.gz MQOYGFCTPNXMKF-ULQDDVLXSA-N 1 0 383.496 3.585 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172984472 906049687 /nfs/dbraw/zinc/04/96/87/906049687.db2.gz LNWLNGNHQQIISX-GIVPXCGWSA-N 1 0 398.551 3.657 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C[C@H]1C#N ZINC001172982868 906050307 /nfs/dbraw/zinc/05/03/07/906050307.db2.gz GWNAXQOOLBUSJC-SUNYJGFJSA-N 1 0 377.435 3.833 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@@H]3CCc4ncsc4C3)cc(C#N)c21 ZINC001173141435 906227897 /nfs/dbraw/zinc/22/78/97/906227897.db2.gz PWBPBWBGBQYWDC-FZKQIMNGSA-N 1 0 378.501 3.708 20 30 GHEDRO C=CCOC1CCC([NH2+][C@H]2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173311675 906363865 /nfs/dbraw/zinc/36/38/65/906363865.db2.gz NQZANKJGVXURGA-LAKQMRRBSA-N 1 0 394.556 3.648 20 30 GHEDRO C=CCOC1CCC([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC1 ZINC001173325419 906374314 /nfs/dbraw/zinc/37/43/14/906374314.db2.gz MGTWXPJXUGCAHS-UHFFFAOYSA-N 1 0 378.520 3.779 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[NH2+]C3CCC(CC#N)CC3)C2)CC1 ZINC001173329848 906376036 /nfs/dbraw/zinc/37/60/36/906376036.db2.gz KDJBBWLCAVUEIA-ACBHZAAOSA-N 1 0 391.556 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]([NH2+]C3CCC(CC#N)CC3)CO2)C1 ZINC001173330340 906376117 /nfs/dbraw/zinc/37/61/17/906376117.db2.gz QJLZLAUTADZSCU-JWYNLTDQSA-N 1 0 377.529 3.607 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)CC1 ZINC001173334932 906376888 /nfs/dbraw/zinc/37/68/88/906376888.db2.gz ASKDEEVXOUYDOY-VEDXQQSGSA-N 1 0 387.499 3.943 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)CC1 ZINC001173335221 906377186 /nfs/dbraw/zinc/37/71/86/906377186.db2.gz FYDQZIYDUGAFCB-VZKWCCSDSA-N 1 0 383.536 3.942 20 30 GHEDRO C=CCOC1CCC([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CC1 ZINC001173319060 906389182 /nfs/dbraw/zinc/38/91/82/906389182.db2.gz WPFKUROBTWEPGU-UHFFFAOYSA-N 1 0 380.536 3.950 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCC2)C[C@H]1C(=O)OC(C)(C)C ZINC001173367371 906398946 /nfs/dbraw/zinc/39/89/46/906398946.db2.gz HTUWSNSSFCQCES-GVDBMIGSSA-N 1 0 392.540 3.738 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2csc(Br)c2)C2CC2)CC1 ZINC000179033526 906418166 /nfs/dbraw/zinc/41/81/66/906418166.db2.gz SXVDOLVJONZUCG-UHFFFAOYSA-N 1 0 398.370 3.835 20 30 GHEDRO CC(C)CC1(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CCOCC1 ZINC001173429856 906466801 /nfs/dbraw/zinc/46/68/01/906466801.db2.gz XVTONOXQSNXCDD-UHFFFAOYSA-N 1 0 383.536 3.595 20 30 GHEDRO CC(C)[N@H+](CC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173435135 906470194 /nfs/dbraw/zinc/47/01/94/906470194.db2.gz WWXYOOWDCSIBCB-UHFFFAOYSA-N 1 0 389.499 3.756 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)[C@@H]3CCCO[C@H]23)cs1 ZINC001173594444 906546536 /nfs/dbraw/zinc/54/65/36/906546536.db2.gz DDJDRWFKNQWTSJ-OSVATCMCSA-N 1 0 375.538 3.672 20 30 GHEDRO CC1(C#N)CCC(N2CCn3c(-c4ccccc4)cnc3C23CC[NH2+]CC3)CC1 ZINC001173594769 906548248 /nfs/dbraw/zinc/54/82/48/906548248.db2.gz LNRNUJVBTXLLCQ-UHFFFAOYSA-N 1 0 389.547 3.917 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[C@@H](CC(=O)OCC)C3)CC2)C1 ZINC001173641403 906625550 /nfs/dbraw/zinc/62/55/50/906625550.db2.gz OONJAHZMTNCPGT-MOPGFXCFSA-N 1 0 392.540 3.609 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC001173723505 906673212 /nfs/dbraw/zinc/67/32/12/906673212.db2.gz WXFCUAGQBJLMIV-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(SCC(F)(F)F)cc1 ZINC000180872252 906866632 /nfs/dbraw/zinc/86/66/32/906866632.db2.gz ZQAJBBFNQIAINL-WGKGOADCSA-N 1 0 399.438 3.518 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180871930 906867059 /nfs/dbraw/zinc/86/70/59/906867059.db2.gz BQXHOOOISKQJTA-DPHDRGAJSA-N 1 0 396.516 3.604 20 30 GHEDRO CCCCNC(=O)c1cccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c1 ZINC001174190193 906882749 /nfs/dbraw/zinc/88/27/49/906882749.db2.gz XVDPJJRJYYEIDR-UHFFFAOYSA-N 1 0 391.519 3.584 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(C#N)c1C ZINC000181434594 906999476 /nfs/dbraw/zinc/99/94/76/906999476.db2.gz MLCYQAOKXIQYNR-AWEZNQCLSA-N 1 0 396.516 3.653 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c1C#N ZINC000181545959 907024152 /nfs/dbraw/zinc/02/41/52/907024152.db2.gz KFSYIOJQVKFMTM-OAHLLOKOSA-N 1 0 392.459 3.613 20 30 GHEDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181720294 907060919 /nfs/dbraw/zinc/06/09/19/907060919.db2.gz CRYQPFHZNAVQPM-SFHVURJKSA-N 1 0 393.531 3.761 20 30 GHEDRO CCOc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000181752707 907069076 /nfs/dbraw/zinc/06/90/76/907069076.db2.gz FLVODCIBWPYVMW-UHFFFAOYSA-N 1 0 379.504 3.720 20 30 GHEDRO C[NH2+]C1(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCC1 ZINC000630004144 907092437 /nfs/dbraw/zinc/09/24/37/907092437.db2.gz ZTFUITDZRHLJOR-UHFFFAOYSA-N 1 0 386.311 3.848 20 30 GHEDRO C[C@@H](O)C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181896893 907097190 /nfs/dbraw/zinc/09/71/90/907097190.db2.gz LAWDEMXRJSLWHR-XXBNENTESA-N 1 0 377.532 3.667 20 30 GHEDRO CC(C)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(C2CC2)no1 ZINC000181961009 907105740 /nfs/dbraw/zinc/10/57/40/907105740.db2.gz RBXNHXZVHUBFAJ-HXUWFJFHSA-N 1 0 379.508 3.770 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3c(C#N)cnn3-c3cccc(Cl)c3)cc2)CC1 ZINC001174816930 907216716 /nfs/dbraw/zinc/21/67/16/907216716.db2.gz XJPLYUBCPBKKDS-UHFFFAOYSA-N 1 0 392.894 3.893 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000192058543 907379163 /nfs/dbraw/zinc/37/91/63/907379163.db2.gz UGZJFPDQMFBUMO-AEFFLSMTSA-N 1 0 389.908 3.948 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183718651 907445600 /nfs/dbraw/zinc/44/56/00/907445600.db2.gz CDAVNSGFZVBFIE-FUHWJXTLSA-N 1 0 389.565 3.940 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)CC#Cc3ccccc3)CC2)c1C ZINC000192142106 907461854 /nfs/dbraw/zinc/46/18/54/907461854.db2.gz CPUCCCBSKVVMBR-UHFFFAOYSA-N 1 0 377.532 3.655 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(OC4CCCC4)c3)C2=O)cc1 ZINC000192244180 907558391 /nfs/dbraw/zinc/55/83/91/907558391.db2.gz HNRQSXQRQALTGJ-HSZRJFAPSA-N 1 0 389.499 3.770 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000184339362 907564785 /nfs/dbraw/zinc/56/47/85/907564785.db2.gz TXDQRDQHLZKDHJ-QGZVFWFLSA-N 1 0 378.476 3.547 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000184546444 907605572 /nfs/dbraw/zinc/60/55/72/907605572.db2.gz DUQDQWQZUUAZGM-MRXNPFEDSA-N 1 0 395.532 3.734 20 30 GHEDRO COc1cccc([C@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)N(C)C)c1 ZINC000299455842 921342844 /nfs/dbraw/zinc/34/28/44/921342844.db2.gz VGTIMZLSUPRTRJ-NRFANRHFSA-N 1 0 397.519 3.779 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3c(C#N)cnn3-c3ccc(F)cc3)cc2)CC1 ZINC001175783216 907745720 /nfs/dbraw/zinc/74/57/20/907745720.db2.gz HKFGFJXDVZEQBY-UHFFFAOYSA-N 1 0 390.466 3.769 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2ccc(N3CCCCC3)c(C#N)c2)cc1 ZINC001175811221 907768564 /nfs/dbraw/zinc/76/85/64/907768564.db2.gz GNUVNFUXDOOUBV-UHFFFAOYSA-N 1 0 391.519 3.584 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(Nc2ccc3nc(C#N)sc3c2)cc1 ZINC001175826574 907783307 /nfs/dbraw/zinc/78/33/07/907783307.db2.gz OIJZTJMIQAJNGS-UHFFFAOYSA-N 1 0 379.489 3.593 20 30 GHEDRO CN(CCCC[NH+]1CCCCC1)C(=O)Cc1ccc(Br)cc1C#N ZINC001175923082 907830515 /nfs/dbraw/zinc/83/05/15/907830515.db2.gz JBZVEVCDKZUMSN-UHFFFAOYSA-N 1 0 392.341 3.588 20 30 GHEDRO COCC1([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCC1 ZINC001175965458 907842052 /nfs/dbraw/zinc/84/20/52/907842052.db2.gz IOCKEUUMXPLWQZ-UHFFFAOYSA-N 1 0 398.482 3.544 20 30 GHEDRO C#Cc1cccc(Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)c1 ZINC001175978198 907848168 /nfs/dbraw/zinc/84/81/68/907848168.db2.gz SGLXDKQJTYLUSL-UHFFFAOYSA-N 1 0 383.451 3.722 20 30 GHEDRO N#Cc1cc(I)c(Nc2[nH]cc[nH+]2)cc1C(F)(F)F ZINC001176084315 907906087 /nfs/dbraw/zinc/90/60/87/907906087.db2.gz JXDOGCDCNJVGCV-UHFFFAOYSA-N 1 0 378.095 3.648 20 30 GHEDRO C[NH+](C)Cc1ccc(Nc2ccc(C#N)cc2I)cc1 ZINC001176293334 908016864 /nfs/dbraw/zinc/01/68/64/908016864.db2.gz KKCZFZCVKOLDJY-UHFFFAOYSA-N 1 0 377.229 3.968 20 30 GHEDRO C=CCC1(O)CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC001176272037 908035346 /nfs/dbraw/zinc/03/53/46/908035346.db2.gz CVCYSGCDFBYBON-GOSISDBHSA-N 1 0 396.453 3.599 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(O)cc3C(F)(F)F)cc2C#N)CC1 ZINC001176339968 908041685 /nfs/dbraw/zinc/04/16/85/908041685.db2.gz FMFUHUJRJYUCHB-UHFFFAOYSA-N 1 0 376.382 3.778 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cccc(C#N)c2Br)cn1 ZINC001176359381 908071426 /nfs/dbraw/zinc/07/14/26/908071426.db2.gz CEBXNXQXJBOLMQ-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO CCCCCCCC[N@@H+]1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001176497254 908140550 /nfs/dbraw/zinc/14/05/50/908140550.db2.gz VPDOQXOWPCVDKB-KRWDZBQOSA-N 1 0 382.545 3.689 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001176855796 908296587 /nfs/dbraw/zinc/29/65/87/908296587.db2.gz JCIXXZMMOQWWHH-BZUAXINKSA-N 1 0 387.549 3.574 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3([C@H]4CCCO4)CCC3)sc2C1 ZINC001176940862 908310047 /nfs/dbraw/zinc/31/00/47/908310047.db2.gz WASPNKZJZMWLBW-KBXCAEBGSA-N 1 0 387.549 3.764 20 30 GHEDRO C=CC[C@H](C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000189950035 908392530 /nfs/dbraw/zinc/39/25/30/908392530.db2.gz BAEBQYLPXHTXKK-QHCPKHFHSA-N 1 0 393.531 3.611 20 30 GHEDRO FC(F)(F)CC[NH+]1CCC(N=Nc2ncnc3sc4c(c32)CCC4)CC1 ZINC000779758404 908619487 /nfs/dbraw/zinc/61/94/87/908619487.db2.gz CBOIUOWYOZZVJL-UHFFFAOYSA-N 1 0 383.443 3.996 20 30 GHEDRO C[N@H+]1Cc2c(NC(=O)Cc3ccnc(C#N)c3)cccc2[C@@H](c2ccccc2)C1 ZINC001177670291 908690376 /nfs/dbraw/zinc/69/03/76/908690376.db2.gz BGEUAKRPGBREGH-OAQYLSRUSA-N 1 0 382.467 3.712 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1C ZINC000773698791 908695814 /nfs/dbraw/zinc/69/58/14/908695814.db2.gz CBJZXHFREPMMCD-NHCUHLMSSA-N 1 0 383.536 3.689 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(C(=O)c2cccs2)cc1 ZINC001177698317 908717954 /nfs/dbraw/zinc/71/79/54/908717954.db2.gz OTQLHRMUDVEGHG-LPHOPBHVSA-N 1 0 382.529 3.849 20 30 GHEDRO CO[C@H](CC[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)C(F)(F)F ZINC001178497077 909057342 /nfs/dbraw/zinc/05/73/42/909057342.db2.gz WSWOCKVJJJRMBM-LLVKDONJSA-N 1 0 379.272 3.946 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000266737703 909281739 /nfs/dbraw/zinc/28/17/39/909281739.db2.gz MJKLYBJXVDEWMT-BEVDRBHNSA-N 1 0 387.549 3.766 20 30 GHEDRO CSc1ccc(C[NH2+]Cc2cnc3ccc(Br)cn23)cc1C#N ZINC001179584773 909614319 /nfs/dbraw/zinc/61/43/19/909614319.db2.gz ZESWURUYOVEHTG-UHFFFAOYSA-N 1 0 387.306 3.980 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@](O)(/C=C\OCC)C(F)(F)F)cc1Cl ZINC001179636942 909638120 /nfs/dbraw/zinc/63/81/20/909638120.db2.gz ONGCCWRMTDOMCT-DZFYGRHCSA-N 1 0 379.806 3.838 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@](O)(/C=C\OCC)C(F)(F)F)cc1Cl ZINC001179636943 909638453 /nfs/dbraw/zinc/63/84/53/909638453.db2.gz ONGCCWRMTDOMCT-GQSKFBFOSA-N 1 0 379.806 3.838 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(OCC3CC3)nc2)cc1OCCCC#N ZINC000299616797 921513407 /nfs/dbraw/zinc/51/34/07/921513407.db2.gz IRRXCGCGSWSPKA-UHFFFAOYSA-N 1 0 381.476 3.851 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000795335086 909963860 /nfs/dbraw/zinc/96/38/60/909963860.db2.gz UJCLOMMJBOCNCP-RDJZCZTQSA-N 1 0 377.513 3.660 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)c3cc(C#N)ccc3Cl)CC2)c1 ZINC000795378397 910105889 /nfs/dbraw/zinc/10/58/89/910105889.db2.gz ZMQMYMQXFUEKKG-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638523706 910170925 /nfs/dbraw/zinc/17/09/25/910170925.db2.gz DNHGRGMQNYQKJC-WOJBJXKFSA-N 1 0 392.385 3.824 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3ncc[nH]3)CC2)c1 ZINC000299672714 921570480 /nfs/dbraw/zinc/57/04/80/921570480.db2.gz PPYVYKHZVWSBCY-UHFFFAOYSA-N 1 0 386.455 3.880 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1OCC ZINC000270152055 910461651 /nfs/dbraw/zinc/46/16/51/910461651.db2.gz CXNCRVBYRYFZRJ-LBPRGKRZSA-N 1 0 380.286 3.987 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N2CCCC[C@H]2C#N)C1 ZINC001181341323 910698197 /nfs/dbraw/zinc/69/81/97/910698197.db2.gz FVHOXZKNFLDFBT-RYQLBKOJSA-N 1 0 375.463 3.683 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCNC(=O)c2cccc(O)c2)CC1 ZINC000271091298 910779300 /nfs/dbraw/zinc/77/93/00/910779300.db2.gz WKMVCEBEYUEKCT-UHFFFAOYSA-N 1 0 377.488 3.506 20 30 GHEDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000271164710 910799526 /nfs/dbraw/zinc/79/95/26/910799526.db2.gz JZBARUFXFAALJV-UHFFFAOYSA-N 1 0 379.460 3.513 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000271193593 910811890 /nfs/dbraw/zinc/81/18/90/910811890.db2.gz CYUPGGOMOMBHCA-LJQANCHMSA-N 1 0 388.309 3.622 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1=S ZINC000247014468 910872862 /nfs/dbraw/zinc/87/28/62/910872862.db2.gz LKDLYCQTZPDQHB-IBGZPJMESA-N 1 0 385.581 3.805 20 30 GHEDRO CCCCCOc1ccc([C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C2CC2)cc1 ZINC000271625268 910990817 /nfs/dbraw/zinc/99/08/17/910990817.db2.gz CCWAZFOFTYWZCY-MUBPVYAGSA-N 1 0 397.519 3.823 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1=S ZINC000247250671 911073344 /nfs/dbraw/zinc/07/33/44/911073344.db2.gz ZQVFPNDPXITHDF-IBGZPJMESA-N 1 0 385.581 3.805 20 30 GHEDRO N#Cc1cc2cccnc2nc1NC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182039731 911141008 /nfs/dbraw/zinc/14/10/08/911141008.db2.gz YSJCKUMJCFNXTH-UHFFFAOYSA-N 1 0 385.471 3.742 20 30 GHEDRO C[N@@H+]1CC[C@H](C(=O)NCCSCc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC001182165566 911218216 /nfs/dbraw/zinc/21/82/16/911218216.db2.gz QURPKMRGNJMZEJ-SFTDATJTSA-N 1 0 379.529 3.601 20 30 GHEDRO C[C@@H](C#N)OCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000801939182 921653674 /nfs/dbraw/zinc/65/36/74/921653674.db2.gz NLBZOHMEWJCPRJ-JXFKEZNVSA-N 1 0 383.492 3.924 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247590297 911364358 /nfs/dbraw/zinc/36/43/58/911364358.db2.gz MLPCUEJIIYGSLJ-RBUKOAKNSA-N 1 0 384.476 3.907 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000283249209 911431552 /nfs/dbraw/zinc/43/15/52/911431552.db2.gz LHESUORZZLVAFD-NRFANRHFSA-N 1 0 397.567 3.739 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C#N)cc1 ZINC000774133183 911435842 /nfs/dbraw/zinc/43/58/42/911435842.db2.gz DCWPUWBEGUHMDQ-UNMCSNQZSA-N 1 0 376.504 3.501 20 30 GHEDRO COC(=O)c1scc(C#N)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182316793 911447033 /nfs/dbraw/zinc/44/70/33/911447033.db2.gz OMTPVYPJFNITGD-MRXNPFEDSA-N 1 0 397.500 3.566 20 30 GHEDRO CC[C@H](C(=O)OC[C@H](C#N)Cc1cccc(Br)c1)[NH+](CC)CC ZINC000774390022 911731822 /nfs/dbraw/zinc/73/18/22/911731822.db2.gz FRNXJRZQFXAMBZ-DOTOQJQBSA-N 1 0 381.314 3.795 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(C(=O)OC)o3)c(OCC)c2)C1 ZINC001182604942 911919483 /nfs/dbraw/zinc/91/94/83/911919483.db2.gz OCMDSDYDXSZIQV-QGZVFWFLSA-N 1 0 397.471 3.889 20 30 GHEDRO C[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC001182791867 912024554 /nfs/dbraw/zinc/02/45/54/912024554.db2.gz ARYYRGHBLUNTGV-QGZVFWFLSA-N 1 0 379.479 3.924 20 30 GHEDRO CC#CCCCCCCCC(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001182770397 912039416 /nfs/dbraw/zinc/03/94/16/912039416.db2.gz NCQDAXLUZXZKTE-UHFFFAOYSA-N 1 0 392.565 3.695 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc(C)c1Br ZINC001275006273 912108242 /nfs/dbraw/zinc/10/82/42/912108242.db2.gz NYEAYTDOHKXICF-IBGZPJMESA-N 1 0 377.326 3.901 20 30 GHEDRO C=CCSCC(=O)N1CCC[C@]2(C1)C[N@H+](C[C@@H](CC)CCCC)CCO2 ZINC001273478000 912113748 /nfs/dbraw/zinc/11/37/48/912113748.db2.gz KEKSZYZTKGVRCJ-PZJWPPBQSA-N 1 0 382.614 3.815 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)CCC[NH+](C)C)s1 ZINC000819509964 912120213 /nfs/dbraw/zinc/12/02/13/912120213.db2.gz KCCKMLZERZLMLZ-UHFFFAOYSA-N 1 0 375.991 3.639 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000093283124 912163328 /nfs/dbraw/zinc/16/33/28/912163328.db2.gz CARRAYXRYMBPLB-UHFFFAOYSA-N 1 0 386.540 3.868 20 30 GHEDRO CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000796360630 915012597 /nfs/dbraw/zinc/01/25/97/915012597.db2.gz DHOZEDIXGWVTIK-UHFFFAOYSA-N 1 0 383.467 3.578 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000291306929 915089640 /nfs/dbraw/zinc/08/96/40/915089640.db2.gz ODWHVYYISZYHJU-QHCPKHFHSA-N 1 0 398.510 3.801 20 30 GHEDRO COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)N2CCCC2)c1 ZINC000303776638 915122271 /nfs/dbraw/zinc/12/22/71/915122271.db2.gz HXVASTADAZYWKT-JOCHJYFZSA-N 1 0 378.520 3.748 20 30 GHEDRO COc1cc(CNC(=[NH2+])NCCc2cccs2)ccc1OCc1ccccc1 ZINC000303782358 915125633 /nfs/dbraw/zinc/12/56/33/915125633.db2.gz NDNWRPBNTCSZPE-UHFFFAOYSA-N 1 0 395.528 3.983 20 30 GHEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)N2CCOCC2)cc1 ZINC000303788376 915128847 /nfs/dbraw/zinc/12/88/47/915128847.db2.gz UGLLOUMZFVAEFX-JOCHJYFZSA-N 1 0 396.535 3.619 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000303878634 915237059 /nfs/dbraw/zinc/23/70/59/915237059.db2.gz JDFRLOSWLIDIEK-UHFFFAOYSA-N 1 0 384.499 3.714 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccnc2Oc2cccc(F)c2)c1 ZINC000303884210 915296840 /nfs/dbraw/zinc/29/68/40/915296840.db2.gz JABOHFFNWZTSHN-UHFFFAOYSA-N 1 0 396.422 3.957 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482865 915296915 /nfs/dbraw/zinc/29/69/15/915296915.db2.gz DUJNMRJANCMOIA-UHFFFAOYSA-N 1 0 395.341 3.739 20 30 GHEDRO Cc1cccc([C@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)N2CCOCC2)c1 ZINC000303897488 915302628 /nfs/dbraw/zinc/30/26/28/915302628.db2.gz QOEAJIMORBJPKP-QFIPXVFZSA-N 1 0 380.536 3.919 20 30 GHEDRO c1ccc(NC(=[NH+]CCCc2nnc3n2CCCCC3)N2CCCCC2)cc1 ZINC000303969079 915342669 /nfs/dbraw/zinc/34/26/69/915342669.db2.gz BKMACEWHVMGTSX-UHFFFAOYSA-N 1 0 380.540 3.891 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1C ZINC000303974533 915344789 /nfs/dbraw/zinc/34/47/89/915344789.db2.gz HYWPLSJZRBHLAM-HXUWFJFHSA-N 1 0 386.927 3.757 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000291913033 915413784 /nfs/dbraw/zinc/41/37/84/915413784.db2.gz MNNTVQPVHCVHDK-UHFFFAOYSA-N 1 0 394.397 3.668 20 30 GHEDRO [NH2+]=C(NCc1ccnc(OCC(F)(F)F)c1)Nc1cccc2c1CCCC2 ZINC000304655728 915588825 /nfs/dbraw/zinc/58/88/25/915588825.db2.gz IEJCKEYCQHSACG-UHFFFAOYSA-N 1 0 378.398 3.828 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c(C#N)c1C ZINC000292288221 915601853 /nfs/dbraw/zinc/60/18/53/915601853.db2.gz CFRLZLCTNNIFDC-PIGZYNQJSA-N 1 0 375.519 3.529 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC2CCC2)cc1 ZINC000292289238 915603347 /nfs/dbraw/zinc/60/33/47/915603347.db2.gz JHYJFRDGGQNEOE-UHFFFAOYSA-O 1 0 384.481 3.526 20 30 GHEDRO [NH2+]=C(NCCc1c[nH]c2ccc(F)cc12)NCc1ccc(OC(F)(F)F)cc1 ZINC000304764322 915700627 /nfs/dbraw/zinc/70/06/27/915700627.db2.gz XWIRFFFUKMJTBE-UHFFFAOYSA-N 1 0 394.372 3.853 20 30 GHEDRO [NH2+]=C(NCCc1ccn(-c2ccc(F)cc2)n1)Nc1cccc2c1CCCC2 ZINC000304809743 915722717 /nfs/dbraw/zinc/72/27/17/915722717.db2.gz VWNLQMLTGILNFA-UHFFFAOYSA-N 1 0 377.467 3.860 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000305186632 915984395 /nfs/dbraw/zinc/98/43/95/915984395.db2.gz XHKGNGFRQKEZCK-MRXNPFEDSA-N 1 0 395.425 3.725 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3ccc(Cl)s3)C2)C1=O ZINC001275691697 916031060 /nfs/dbraw/zinc/03/10/60/916031060.db2.gz VGEYLQKFNCJZIX-RXVVDRJESA-N 1 0 384.932 3.853 20 30 GHEDRO [NH2+]=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1ccccc1OC(F)(F)F ZINC000305674644 916209822 /nfs/dbraw/zinc/20/98/22/916209822.db2.gz KQBLROUAINJVOW-CYBMUJFWSA-N 1 0 391.752 3.838 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1ccc(Br)cc1C(F)(F)F ZINC000305712160 916248924 /nfs/dbraw/zinc/24/89/24/916248924.db2.gz YFXKNJUSONARND-UHFFFAOYSA-N 1 0 390.203 3.926 20 30 GHEDRO COc1ccc(COCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000305769829 916367871 /nfs/dbraw/zinc/36/78/71/916367871.db2.gz WJDJJTPNEBRNBN-UHFFFAOYSA-N 1 0 383.370 3.537 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001189084063 916394536 /nfs/dbraw/zinc/39/45/36/916394536.db2.gz FAPYKVXXSRBBOR-SFTDATJTSA-N 1 0 389.499 3.551 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(Br)cc3F)C2)C1=O ZINC001275725505 916436779 /nfs/dbraw/zinc/43/67/79/916436779.db2.gz ZWEBIFVSNOFPRP-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c1 ZINC001189254748 916499208 /nfs/dbraw/zinc/49/92/08/916499208.db2.gz BFPOQLFYEOZSCK-UHFFFAOYSA-N 1 0 393.535 3.923 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000775246358 916625616 /nfs/dbraw/zinc/62/56/16/916625616.db2.gz SQCIUWQWRVXJRB-DYESRHJHSA-N 1 0 382.460 3.505 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c(OCCC)c(OC)c1)[C@@H]1CCCO1 ZINC000775343627 917070865 /nfs/dbraw/zinc/07/08/65/917070865.db2.gz XAUXWRIFIBFMAB-CVEARBPZSA-N 1 0 382.298 3.517 20 30 GHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(c3ncc(Br)cc3C#N)C1)CCCC2 ZINC000295122855 917154767 /nfs/dbraw/zinc/15/47/67/917154767.db2.gz XAEHKIXRUITFQW-HNNXBMFYSA-N 1 0 386.297 3.551 20 30 GHEDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000775372444 917232655 /nfs/dbraw/zinc/23/26/55/917232655.db2.gz AVJPKEWPFJQPSJ-LSDHHAIUSA-N 1 0 399.516 3.942 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1nc2ccc(OCC)cc2s1)c1ccccc1 ZINC000775400408 917433310 /nfs/dbraw/zinc/43/33/10/917433310.db2.gz OTBJSYKIQHOFNO-KRWDZBQOSA-N 1 0 379.485 3.988 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC000775398886 917439235 /nfs/dbraw/zinc/43/92/35/917439235.db2.gz NEARIEAEXCCTSL-PWHSHALESA-N 1 0 391.515 3.593 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(OCC)cc1)c1ccccc1 ZINC000775399212 917442819 /nfs/dbraw/zinc/44/28/19/917442819.db2.gz QLSMUTRLHHSISY-JOCHJYFZSA-N 1 0 375.472 3.686 20 30 GHEDRO C=CCC1(S(=O)(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001190797936 917571829 /nfs/dbraw/zinc/57/18/29/917571829.db2.gz IIODAXKCCAIWOP-UHFFFAOYSA-N 1 0 388.577 3.803 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3c(C#N)oc4ccccc43)cc2)CC1 ZINC001190838914 917592122 /nfs/dbraw/zinc/59/21/22/917592122.db2.gz CVMFXMJZJHJNBB-UHFFFAOYSA-N 1 0 388.471 3.694 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1C ZINC000775418479 917629373 /nfs/dbraw/zinc/62/93/73/917629373.db2.gz JUGWXNCLCFSVIQ-ZJSXRUAMSA-N 1 0 391.515 3.918 20 30 GHEDRO C=CC[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccncc1 ZINC000796482679 917697281 /nfs/dbraw/zinc/69/72/81/917697281.db2.gz NVYKYWCZCKCZMX-PMACEKPBSA-N 1 0 385.458 3.972 20 30 GHEDRO CCCC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H](C)c1ccccc1 ZINC001191164568 917796062 /nfs/dbraw/zinc/79/60/62/917796062.db2.gz GNUKAELKEGGHOF-RBBKRZOGSA-N 1 0 384.568 3.542 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000652609683 917951974 /nfs/dbraw/zinc/95/19/74/917951974.db2.gz WHIUKZSODSLVCC-UHFFFAOYSA-N 1 0 382.302 3.525 20 30 GHEDRO C=CCNc1ncc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC001149056794 918019096 /nfs/dbraw/zinc/01/90/96/918019096.db2.gz KKRSPQGDFSHUAT-SFHVURJKSA-N 1 0 396.560 3.773 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000775483842 918226975 /nfs/dbraw/zinc/22/69/75/918226975.db2.gz DKWYNFJNLCNIJP-UHFFFAOYSA-N 1 0 398.482 3.568 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C12CCC2 ZINC000296400135 918230568 /nfs/dbraw/zinc/23/05/68/918230568.db2.gz URCHNIFSGMZACD-ZYSHUDEJSA-N 1 0 387.549 3.957 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[NH2+]C1(c3ccc(Cl)cc3)CCCCC1)cc2=O ZINC001191871797 918273868 /nfs/dbraw/zinc/27/38/68/918273868.db2.gz WFZFBMOJNYHVIT-UHFFFAOYSA-N 1 0 381.867 3.909 20 30 GHEDRO Cc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000015246067 919369740 /nfs/dbraw/zinc/36/97/40/919369740.db2.gz QKBBGINUEVEJJS-UHFFFAOYSA-O 1 0 377.489 3.826 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000114747501 919414116 /nfs/dbraw/zinc/41/41/16/919414116.db2.gz FIXBPMTZIBKIFK-OXJNMPFZSA-N 1 0 393.487 3.810 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000116878428 919523189 /nfs/dbraw/zinc/52/31/89/919523189.db2.gz YBFSNNAYARKOAR-QFIPXVFZSA-N 1 0 391.515 3.816 20 30 GHEDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cn1 ZINC000298465082 920569085 /nfs/dbraw/zinc/56/90/85/920569085.db2.gz RXQPUIXTDUXMES-KGLIPLIRSA-N 1 0 385.537 3.640 20 30 GHEDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000367735488 922287745 /nfs/dbraw/zinc/28/77/45/922287745.db2.gz ABFVUQWSGBPTOG-MUUNZHRXSA-N 1 0 392.528 3.632 20 30 GHEDRO CN1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000368060101 922454821 /nfs/dbraw/zinc/45/48/21/922454821.db2.gz UEKUVYFKAWCWLN-OALUTQOASA-N 1 0 379.907 3.914 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000368820217 922895914 /nfs/dbraw/zinc/89/59/14/922895914.db2.gz CHPDYIYREUYGQS-IAGOWNOFSA-N 1 0 387.549 3.768 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000903426320 923017670 /nfs/dbraw/zinc/01/76/70/923017670.db2.gz WUCNMWFINKKIQW-OAQYLSRUSA-N 1 0 381.501 3.630 20 30 GHEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000369757741 923602719 /nfs/dbraw/zinc/60/27/19/923602719.db2.gz OPMYGQXHNSDIKQ-KRWDZBQOSA-N 1 0 397.544 3.671 20 30 GHEDRO Cn1cc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c(-c2ccc(C#N)cc2)n1 ZINC000370544900 924160666 /nfs/dbraw/zinc/16/06/66/924160666.db2.gz XYLMXSAWSPVDMV-UHFFFAOYSA-N 1 0 398.470 3.683 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](CCO)CC(C)(C)C)cc1OC ZINC000678241553 924683721 /nfs/dbraw/zinc/68/37/21/924683721.db2.gz XKDSJXXKVJLDNN-UHFFFAOYSA-N 1 0 386.330 3.863 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000409860816 925075181 /nfs/dbraw/zinc/07/51/81/925075181.db2.gz ROXIODTVPFLZRG-CJNGLKHVSA-N 1 0 381.314 3.675 20 30 GHEDRO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(SC(F)(F)F)cc1)CC2 ZINC001276065112 925099847 /nfs/dbraw/zinc/09/98/47/925099847.db2.gz BHDHUIRZYCNMED-MRXNPFEDSA-N 1 0 382.451 3.650 20 30 GHEDRO C=CCOCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000679503992 925162855 /nfs/dbraw/zinc/16/28/55/925162855.db2.gz NNOSZOOMAOMPCE-FUHWJXTLSA-N 1 0 399.457 3.590 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1)C(C)C ZINC000410126017 925332888 /nfs/dbraw/zinc/33/28/88/925332888.db2.gz UDNCSUHXXKGELH-NNWRFLSQSA-N 1 0 385.552 3.857 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373424701 926108578 /nfs/dbraw/zinc/10/85/78/926108578.db2.gz BZRGHHCUZSFAGX-OFLPRAFFSA-N 1 0 391.478 3.879 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411171277 926160767 /nfs/dbraw/zinc/16/07/67/926160767.db2.gz ZINZPCVQLITIBE-DYESRHJHSA-N 1 0 377.488 3.799 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Br)c4ccccc34)C2)C1=O ZINC001276158995 926292691 /nfs/dbraw/zinc/29/26/91/926292691.db2.gz SVLRVSGHYUOZTD-OAQYLSRUSA-N 1 0 397.316 3.660 20 30 GHEDRO COc1cc(C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)ccc1O ZINC000411413342 926370573 /nfs/dbraw/zinc/37/05/73/926370573.db2.gz DDJUEJVYIDZCAL-UHFFFAOYSA-N 1 0 399.878 3.919 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000411469342 926430233 /nfs/dbraw/zinc/43/02/33/926430233.db2.gz AJYROHNZZAGOAM-SFHVURJKSA-N 1 0 393.821 3.796 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411513550 926468574 /nfs/dbraw/zinc/46/85/74/926468574.db2.gz DPJZHGGLCFEOOA-LBPRGKRZSA-N 1 0 393.413 3.613 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1c(C)nn(C)c1C ZINC000411520252 926483646 /nfs/dbraw/zinc/48/36/46/926483646.db2.gz VDBSZWLPZHJIDP-INIZCTEOSA-N 1 0 385.537 3.528 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1)C(C)C ZINC000726054371 926540769 /nfs/dbraw/zinc/54/07/69/926540769.db2.gz NHWQPMXTBXDFRB-QGZVFWFLSA-N 1 0 393.487 3.973 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCC[C@H]1C ZINC000411627227 926570193 /nfs/dbraw/zinc/57/01/93/926570193.db2.gz PFFSUXPKGOFZGI-RHSMWYFYSA-N 1 0 375.538 3.574 20 30 GHEDRO C#Cc1cccc(NC(=S)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000726443952 926666837 /nfs/dbraw/zinc/66/68/37/926666837.db2.gz KMYFQTJBOIGSHR-NRFANRHFSA-N 1 0 379.529 3.800 20 30 GHEDRO C#Cc1cccc(NC(=S)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000726481689 926697960 /nfs/dbraw/zinc/69/79/60/926697960.db2.gz VUOSUHJCFSYPRH-NRFANRHFSA-N 1 0 378.545 3.746 20 30 GHEDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccccc1C#N)c1cc(Cl)cc(Cl)c1 ZINC000411797635 926793275 /nfs/dbraw/zinc/79/32/75/926793275.db2.gz ICHVEIDOUWGWCZ-IBGZPJMESA-N 1 0 392.286 3.691 20 30 GHEDRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374292343 926990527 /nfs/dbraw/zinc/99/05/27/926990527.db2.gz NDOHWUVKDJGXFK-DLBZAZTESA-N 1 0 396.922 3.858 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000374443007 927147442 /nfs/dbraw/zinc/14/74/42/927147442.db2.gz LZAFOMZLTIUMCZ-QGZVFWFLSA-N 1 0 380.517 3.589 20 30 GHEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000374523244 927241863 /nfs/dbraw/zinc/24/18/63/927241863.db2.gz VNLSEHNOJIYMNX-LJQANCHMSA-N 1 0 396.560 3.839 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000374624474 927350537 /nfs/dbraw/zinc/35/05/37/927350537.db2.gz QEBXWZZHCGSMIR-KRWDZBQOSA-N 1 0 386.565 3.580 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(F)c1 ZINC000412563343 927580379 /nfs/dbraw/zinc/58/03/79/927580379.db2.gz ZBQIXBSOKRUTMU-UHFFFAOYSA-N 1 0 396.466 3.553 20 30 GHEDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374882893 927649681 /nfs/dbraw/zinc/64/96/81/927649681.db2.gz RDWPTQMARUQJLW-OALUTQOASA-N 1 0 379.529 3.835 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000374898471 927671250 /nfs/dbraw/zinc/67/12/50/927671250.db2.gz TZJGINLFQANCII-NHCUHLMSSA-N 1 0 377.463 3.604 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000750597854 927741748 /nfs/dbraw/zinc/74/17/48/927741748.db2.gz WIDCIEBGUFKGEW-OAQYLSRUSA-N 1 0 392.503 3.612 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3cccs3)o2)c1 ZINC000750834720 927883183 /nfs/dbraw/zinc/88/31/83/927883183.db2.gz BVPUFFJSELTVQE-DLBZAZTESA-N 1 0 380.473 3.758 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(F)(c3cccnc3)CC1)CCC2 ZINC000375317488 928159519 /nfs/dbraw/zinc/15/95/19/928159519.db2.gz BNOSTAMHDWLSKH-UHFFFAOYSA-N 1 0 398.507 3.793 20 30 GHEDRO N#Cc1ncc(C(F)(F)F)cc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000413122146 928231881 /nfs/dbraw/zinc/23/18/81/928231881.db2.gz JASIDFSXDKVISF-UHFFFAOYSA-N 1 0 390.409 3.541 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000413230006 928345144 /nfs/dbraw/zinc/34/51/44/928345144.db2.gz CXVBRQHJDBZRQB-OAQYLSRUSA-N 1 0 383.536 3.590 20 30 GHEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000544002092 928673763 /nfs/dbraw/zinc/67/37/63/928673763.db2.gz NKCNVEQBUYCQGR-OCDPCBSRSA-N 1 0 392.503 3.959 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000467303717 928936051 /nfs/dbraw/zinc/93/60/51/928936051.db2.gz DTVMDDXYKDJNMN-QFIPXVFZSA-N 1 0 377.488 3.881 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccccc2SCC#N)C1 ZINC000753116345 929214315 /nfs/dbraw/zinc/21/43/15/929214315.db2.gz QSVGQDXJRKQTRF-UHFFFAOYSA-N 1 0 395.528 3.684 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000753147942 929227299 /nfs/dbraw/zinc/22/72/99/929227299.db2.gz DUVILPCUXRXVHG-OAHLLOKOSA-N 1 0 384.307 3.767 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)Cc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000753148616 929228659 /nfs/dbraw/zinc/22/86/59/929228659.db2.gz FZKFXGHPFQKEBG-SIKLNZKXSA-N 1 0 391.515 3.548 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CCC(OCC[NH+](CC)CC)CC2)c1 ZINC000467709291 929324677 /nfs/dbraw/zinc/32/46/77/929324677.db2.gz SIGPRRBEZCGFBW-UHFFFAOYSA-N 1 0 389.540 3.996 20 30 GHEDRO COC(=O)[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000753733138 929505465 /nfs/dbraw/zinc/50/54/65/929505465.db2.gz SOEOUTVHLVIXSF-AVCGJXAMSA-N 1 0 391.515 3.663 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2cc(C#N)ccc2OC)CC[N@@H+]1Cc1ccccc1 ZINC000544787081 929586129 /nfs/dbraw/zinc/58/61/29/929586129.db2.gz CORPEKQMQMYXDH-IBGZPJMESA-N 1 0 378.476 3.695 20 30 GHEDRO COc1ccc(C(C)=NNc2nc3ccccc3c(=O)[nH]2)cc1C[NH+]1CCCC1 ZINC000757582508 929734917 /nfs/dbraw/zinc/73/49/17/929734917.db2.gz BVFUQBCLWIAPKV-UHFFFAOYSA-N 1 0 391.475 3.776 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(C#N)cc3OC)c(C)c2)CC1 ZINC000545999084 929760209 /nfs/dbraw/zinc/76/02/09/929760209.db2.gz IIXAOYZDPRYWDG-UHFFFAOYSA-N 1 0 393.491 3.661 20 30 GHEDRO C#CC[C@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)c1ccccc1 ZINC000757761245 929792162 /nfs/dbraw/zinc/79/21/62/929792162.db2.gz KIWNAQUNVVMVEJ-QHCPKHFHSA-N 1 0 377.532 3.957 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000469410077 929859059 /nfs/dbraw/zinc/85/90/59/929859059.db2.gz MZKSFOWKELVCCH-UHFFFAOYSA-N 1 0 375.463 3.804 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000469617436 930032243 /nfs/dbraw/zinc/03/22/43/930032243.db2.gz LLXLOOQJLOGAMT-GOSISDBHSA-N 1 0 393.535 3.672 20 30 GHEDRO C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C(C)(C)C[NH+](C)C ZINC000469716137 930106058 /nfs/dbraw/zinc/10/60/58/930106058.db2.gz CWJPRAPQJXKIGT-CQSZACIVSA-N 1 0 385.537 3.703 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000758791804 930169165 /nfs/dbraw/zinc/16/91/65/930169165.db2.gz JWAQXCCJWVRNJZ-DLBZAZTESA-N 1 0 382.508 3.936 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 ZINC000759063417 930261334 /nfs/dbraw/zinc/26/13/34/930261334.db2.gz PLNKXTGMTQNORO-UHFFFAOYSA-O 1 0 385.459 3.565 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCC#Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470030272 930328465 /nfs/dbraw/zinc/32/84/65/930328465.db2.gz QSFGSNJVQGDQQK-LJQANCHMSA-N 1 0 389.421 3.659 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780364767 930499474 /nfs/dbraw/zinc/49/94/74/930499474.db2.gz GSMISWOBUFBLSK-YLJYHZDGSA-N 1 0 398.466 3.625 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCO2 ZINC000780745210 930590189 /nfs/dbraw/zinc/59/01/89/930590189.db2.gz OUUKXLIAZUHRSW-SFTDATJTSA-N 1 0 375.472 3.729 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCc2nc(C)sc21)C(C)C ZINC000780821818 930608201 /nfs/dbraw/zinc/60/82/01/930608201.db2.gz XJABNXKXRMZZTO-ROUUACIJSA-N 1 0 376.570 3.827 20 30 GHEDRO S=C(NN=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Nc1ccccn1 ZINC000781128740 930709558 /nfs/dbraw/zinc/70/95/58/930709558.db2.gz UGSCJHXCLUYGDD-ZWKOTPCHSA-N 1 0 379.533 3.656 20 30 GHEDRO C=C(C)C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccccc1 ZINC000470920248 931031946 /nfs/dbraw/zinc/03/19/46/931031946.db2.gz RYNBQNUPRHKBHW-UHFFFAOYSA-N 1 0 385.895 3.846 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000557177092 931246867 /nfs/dbraw/zinc/24/68/67/931246867.db2.gz BMJJHVHJUYYKPT-IBGZPJMESA-N 1 0 385.552 3.540 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)N(Cc3ccccc3)c3ccccc32)CC1 ZINC000782945081 931371923 /nfs/dbraw/zinc/37/19/23/931371923.db2.gz KLUODMOGRHXRPQ-HXUWFJFHSA-N 1 0 387.527 3.774 20 30 GHEDRO Cn1cc(C[NH+]2CCC(F)(c3cccnc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000557359801 931374410 /nfs/dbraw/zinc/37/44/10/931374410.db2.gz INHZQVJPYKSZCL-UHFFFAOYSA-N 1 0 375.451 3.815 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)C1 ZINC000626219559 931391459 /nfs/dbraw/zinc/39/14/59/931391459.db2.gz HUXGHEZSOJUTRP-MRXNPFEDSA-N 1 0 376.932 3.912 20 30 GHEDRO Cc1cnc(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000925153313 931680780 /nfs/dbraw/zinc/68/07/80/931680780.db2.gz SVJUAZIIJJXQMP-AWEZNQCLSA-N 1 0 378.542 3.861 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000777555393 931731885 /nfs/dbraw/zinc/73/18/85/931731885.db2.gz AJGSPDAKAKNFBP-JOCHJYFZSA-N 1 0 390.512 3.868 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@@H](Cc3ccc(F)cc3)C(N)=O)c2)s1 ZINC000784074599 931775052 /nfs/dbraw/zinc/77/50/52/931775052.db2.gz XOOZUSCOMITYMW-IBGZPJMESA-N 1 0 379.460 3.612 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@H](NC(C)=O)c2ccccc2F)c1 ZINC000925419298 931777244 /nfs/dbraw/zinc/77/72/44/931777244.db2.gz OHDSVIGWEOZLAC-LDJQZATESA-N 1 0 383.467 3.862 20 30 GHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000558255606 931906228 /nfs/dbraw/zinc/90/62/28/931906228.db2.gz DHVVWWOJPLTUIQ-SJLPKXTDSA-N 1 0 397.441 3.963 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796948640 932118284 /nfs/dbraw/zinc/11/82/84/932118284.db2.gz NDVDWFUJLKNROQ-DYESRHJHSA-N 1 0 398.551 3.762 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000926412479 932168373 /nfs/dbraw/zinc/16/83/73/932168373.db2.gz VJCXDLGBMYGSTR-KZNAEPCWSA-N 1 0 379.545 3.568 20 30 GHEDRO N#Cc1ccc(C(=O)OC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)o1 ZINC000797077420 932172036 /nfs/dbraw/zinc/17/20/36/932172036.db2.gz NUADNTQPZRNXEP-UHFFFAOYSA-N 1 0 394.349 3.871 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCOC1(C)C ZINC000926726018 932283741 /nfs/dbraw/zinc/28/37/41/932283741.db2.gz FRBBNYYCJMPHDI-SJORKVTESA-N 1 0 379.545 3.711 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3cncc(-c4cccs4)n3)CC2)cc1 ZINC000558889028 932294434 /nfs/dbraw/zinc/29/44/34/932294434.db2.gz IKMQEFTWLOGUFF-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000558919744 932316155 /nfs/dbraw/zinc/31/61/55/932316155.db2.gz GXZPZYMCKMDSTF-CQSZACIVSA-N 1 0 385.309 3.791 20 30 GHEDRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1C#N ZINC000926967928 932366294 /nfs/dbraw/zinc/36/62/94/932366294.db2.gz YSVMYZNHFYFPGC-MRXNPFEDSA-N 1 0 390.487 3.722 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000559003581 932367578 /nfs/dbraw/zinc/36/75/78/932367578.db2.gz KMNAGRWCXYVZEM-ICSRJNTNSA-N 1 0 397.592 3.960 20 30 GHEDRO N#Cc1cccnc1N1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000798228746 932569633 /nfs/dbraw/zinc/56/96/33/932569633.db2.gz SYTJHVOIOWHUMN-UHFFFAOYSA-N 1 0 384.439 3.880 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000798499403 932674866 /nfs/dbraw/zinc/67/48/66/932674866.db2.gz RHPHQYLQKRGIRW-MRXNPFEDSA-N 1 0 385.895 3.757 20 30 GHEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000799157823 932891561 /nfs/dbraw/zinc/89/15/61/932891561.db2.gz WOJRIYYBDXSXGJ-QGZVFWFLSA-N 1 0 389.515 3.538 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1C#N ZINC000799333973 932954856 /nfs/dbraw/zinc/95/48/56/932954856.db2.gz NCRLUQQLYIDVDP-HOTGVXAUSA-N 1 0 383.467 3.609 20 30 GHEDRO N#CCOc1ccc(CC(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000799632269 933070504 /nfs/dbraw/zinc/07/05/04/933070504.db2.gz AYZYXTTZAWZUBW-NRFANRHFSA-N 1 0 378.472 3.729 20 30 GHEDRO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)ccc1C#N ZINC000799732636 933103074 /nfs/dbraw/zinc/10/30/74/933103074.db2.gz GYVXAWVFAYHLTH-DFNIBXOVSA-N 1 0 385.508 3.929 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)ccc1C#N ZINC000799735259 933104154 /nfs/dbraw/zinc/10/41/54/933104154.db2.gz XRFHHPVHWHUCMU-GBESFXJTSA-N 1 0 385.508 3.692 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1Cl ZINC000560184974 933117970 /nfs/dbraw/zinc/11/79/70/933117970.db2.gz UYFGFXUUWFJWRW-RTBURBONSA-N 1 0 375.900 3.539 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000560367009 933225084 /nfs/dbraw/zinc/22/50/84/933225084.db2.gz BCCJZHOBEICBRO-LJQANCHMSA-N 1 0 393.535 3.541 20 30 GHEDRO C[C@@H](CN1CCOCC1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000929607524 933539302 /nfs/dbraw/zinc/53/93/02/933539302.db2.gz CSFZARZITMPYJN-AVRDEDQJSA-N 1 0 392.503 3.526 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1Cl ZINC001118228344 934113836 /nfs/dbraw/zinc/11/38/36/934113836.db2.gz NARZBBYOUXLJGS-OAQYLSRUSA-N 1 0 397.906 3.680 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)C1 ZINC001120037362 934440936 /nfs/dbraw/zinc/44/09/36/934440936.db2.gz DJXCODQSPGMHNS-GOSISDBHSA-N 1 0 390.524 3.615 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1)C(C)C ZINC000561975191 934600311 /nfs/dbraw/zinc/60/03/11/934600311.db2.gz KDDBAFGBFXPDBH-LJQANCHMSA-N 1 0 379.508 3.725 20 30 GHEDRO CCN(c1nnc(CCCCC#N)n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001121398688 934645864 /nfs/dbraw/zinc/64/58/64/934645864.db2.gz OMTHAXPPDMBBAO-AZUAARDMSA-N 1 0 380.540 3.713 20 30 GHEDRO C=CCn1c(CCC(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562035921 934649225 /nfs/dbraw/zinc/64/92/25/934649225.db2.gz CALNGSVFRPZGLS-OYRHEFFESA-N 1 0 379.552 3.621 20 30 GHEDRO COc1cc(NC(=O)Nc2ccc(CCC#N)cc2)ccc1OCC[NH+](C)C ZINC000931769404 934713109 /nfs/dbraw/zinc/71/31/09/934713109.db2.gz YBXYURMXLZPJOT-UHFFFAOYSA-N 1 0 382.464 3.736 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001121628719 934719306 /nfs/dbraw/zinc/71/93/06/934719306.db2.gz IKQGIOWHOVELHD-PMACEKPBSA-N 1 0 385.556 3.549 20 30 GHEDRO N#Cc1cccc(NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)n1 ZINC000931803621 934728206 /nfs/dbraw/zinc/72/82/06/934728206.db2.gz HORIQLJGRPKIPJ-UHFFFAOYSA-N 1 0 375.476 3.572 20 30 GHEDRO C=CCn1c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1C(C)(C)CC#N ZINC001121662648 934731135 /nfs/dbraw/zinc/73/11/35/934731135.db2.gz FWQLVBQWCXQGQT-IBGZPJMESA-N 1 0 392.551 3.756 20 30 GHEDRO N#CCCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccc2c(c1)OCCO2 ZINC000931851120 934747346 /nfs/dbraw/zinc/74/73/46/934747346.db2.gz OOMHILQFJZHLPX-UHFFFAOYSA-N 1 0 395.459 3.597 20 30 GHEDRO CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001121722052 934747680 /nfs/dbraw/zinc/74/76/80/934747680.db2.gz QFKXAXGOJLSAKB-HSZRJFAPSA-N 1 0 392.551 3.592 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H](CCC)C1 ZINC001121730850 934749637 /nfs/dbraw/zinc/74/96/37/934749637.db2.gz GCEHZQBPVLYAKA-AZUAARDMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001121731379 934749852 /nfs/dbraw/zinc/74/98/52/934749852.db2.gz UBJUWCNVDCYKHZ-AZUAARDMSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nnc1C(F)(F)CC1CC1 ZINC001121731686 934749866 /nfs/dbraw/zinc/74/98/66/934749866.db2.gz CAWQLBQPWJMHDN-ULQDDVLXSA-N 1 0 379.499 3.523 20 30 GHEDRO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(C#N)c(OC)c3)o2)cc1 ZINC000562213102 934762083 /nfs/dbraw/zinc/76/20/83/934762083.db2.gz UZJZXRPMMURTHF-UHFFFAOYSA-N 1 0 376.412 3.903 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)s1 ZINC000932171772 934839891 /nfs/dbraw/zinc/83/98/91/934839891.db2.gz KFGBAJFJDRECDG-UHFFFAOYSA-N 1 0 383.452 3.659 20 30 GHEDRO N#CCc1ccc(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 ZINC000932171586 934839959 /nfs/dbraw/zinc/83/99/59/934839959.db2.gz HRESBAGWUQSXNC-UHFFFAOYSA-N 1 0 391.450 3.791 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000932205624 934849708 /nfs/dbraw/zinc/84/97/08/934849708.db2.gz YZTFDICKGSVOED-QGZVFWFLSA-N 1 0 377.517 3.870 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1C1(C#N)CCCC1 ZINC001122434674 934868276 /nfs/dbraw/zinc/86/82/76/934868276.db2.gz BRTVSRZFNCZLPZ-UHFFFAOYSA-N 1 0 382.556 3.644 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(C)=C(C)C1 ZINC001122466373 934876916 /nfs/dbraw/zinc/87/69/16/934876916.db2.gz NMJOQSHJUHXCST-HXUWFJFHSA-N 1 0 385.556 3.717 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3cccnc3c2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001122616004 934921776 /nfs/dbraw/zinc/92/17/76/934921776.db2.gz VGCIYMYWFTUREG-FPOVZHCZSA-N 1 0 388.519 3.600 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)C3(C#N)CCSCC3)CCC[N@@H+]2C)cc1 ZINC001122702340 934954944 /nfs/dbraw/zinc/95/49/44/934954944.db2.gz HKOCATXAUDSCHI-PKOBYXMFSA-N 1 0 388.533 3.658 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)NCC1(C#N)CCOCC1)C1CCCCC1 ZINC001123279514 935141079 /nfs/dbraw/zinc/14/10/79/935141079.db2.gz JIVFNGJTJHMEDS-UHFFFAOYSA-N 1 0 384.524 3.893 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1CC1CC1 ZINC001123503766 935212381 /nfs/dbraw/zinc/21/23/81/935212381.db2.gz KRRROQVESBZCQZ-YVWKXTFCSA-N 1 0 382.556 3.548 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1CC1CC1 ZINC001123503763 935212602 /nfs/dbraw/zinc/21/26/02/935212602.db2.gz KRRROQVESBZCQZ-KPFFTGBYSA-N 1 0 382.556 3.548 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC001125087756 935523007 /nfs/dbraw/zinc/52/30/07/935523007.db2.gz JFGDGHNGEGSKQT-JBYIUTFZSA-N 1 0 393.572 3.711 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)c(C#N)c1 ZINC001137700984 935731945 /nfs/dbraw/zinc/73/19/45/935731945.db2.gz HLXFOSLYBCFSIE-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000829677873 935843954 /nfs/dbraw/zinc/84/39/54/935843954.db2.gz PGGLUCWGSGJCKZ-NSISKUIASA-N 1 0 392.503 3.797 20 30 GHEDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(N(C)c4ccc(C#N)cc4)cc3)C[C@H]21 ZINC001137901160 935855507 /nfs/dbraw/zinc/85/55/07/935855507.db2.gz QRPBNBCOEXPZJG-JKHIJQBDSA-N 1 0 388.515 3.529 20 30 GHEDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137902508 935856446 /nfs/dbraw/zinc/85/64/46/935856446.db2.gz GCJRRMUDTSIMDA-FQEVSTJZSA-N 1 0 376.504 3.626 20 30 GHEDRO C#CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000830343100 935933114 /nfs/dbraw/zinc/93/31/14/935933114.db2.gz MCVLZHZBCGLSTD-OAHLLOKOSA-N 1 0 381.501 3.673 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccc(OC(C)=O)c3)C2)CC1 ZINC001138037173 935942232 /nfs/dbraw/zinc/94/22/32/935942232.db2.gz MTHZPTBIVZTGIX-UHFFFAOYSA-N 1 0 386.492 3.613 20 30 GHEDRO N#Cc1ccccc1OCCCNC(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC001220684956 1032062035 /nfs/dbraw/zinc/06/20/35/1032062035.db2.gz HXDZVCXJTVGQEK-QGZVFWFLSA-N 1 0 391.393 3.552 20 30 GHEDRO C=C(C)[C@H](NC(=O)N(CCOC)CC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC001226661988 1032066310 /nfs/dbraw/zinc/06/63/10/1032066310.db2.gz VGNUWAQMRBERGA-FQEVSTJZSA-N 1 0 395.494 3.582 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001625932346 1014458301 /nfs/dbraw/zinc/45/83/01/1014458301.db2.gz HVDSNZKNDXSXJU-PGRDOPGGSA-N 1 0 393.572 3.569 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C#N ZINC001545668168 1014704978 /nfs/dbraw/zinc/70/49/78/1014704978.db2.gz NIKOBKMXZFIEAM-IAGOWNOFSA-N 1 0 393.539 3.753 20 30 GHEDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(Br)cc1C#N ZINC001626078837 1014860398 /nfs/dbraw/zinc/86/03/98/1014860398.db2.gz GVGCHGSFXRYBIS-UHFFFAOYSA-N 1 0 388.265 3.643 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC001201134573 1014987443 /nfs/dbraw/zinc/98/74/43/1014987443.db2.gz WWFBFVDUVPICCV-UHFFFAOYSA-N 1 0 393.354 3.624 20 30 GHEDRO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544893610 1015166856 /nfs/dbraw/zinc/16/68/56/1015166856.db2.gz BUYRUJIVOOOYDD-OAQYLSRUSA-N 1 0 387.487 3.705 20 30 GHEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000469014494 1016339101 /nfs/dbraw/zinc/33/91/01/1016339101.db2.gz OWXTVXDNSHZABK-DLBZAZTESA-N 1 0 377.488 3.964 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccncc2OCc2ccccc2)CC1 ZINC000557839483 1017056085 /nfs/dbraw/zinc/05/60/85/1017056085.db2.gz VANDTLPROCDOSI-UHFFFAOYSA-N 1 0 394.519 3.500 20 30 GHEDRO CCc1ccc(CN(CC[NH3+])C(=O)c2ccc(C#CBr)cc2)cc1 ZINC001220907120 1032182766 /nfs/dbraw/zinc/18/27/66/1032182766.db2.gz HUNAZVKVIHWMIQ-UHFFFAOYSA-N 1 0 385.305 3.554 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001226999817 1032228972 /nfs/dbraw/zinc/22/89/72/1032228972.db2.gz ZJCYRXPHOVBBJM-GOSISDBHSA-N 1 0 376.378 3.857 20 30 GHEDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)cc1C#N ZINC001154753143 1032271045 /nfs/dbraw/zinc/27/10/45/1032271045.db2.gz MMLSICOJZHIWBR-IBGZPJMESA-N 1 0 397.526 3.993 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001227176143 1032309081 /nfs/dbraw/zinc/30/90/81/1032309081.db2.gz HGYSKZUMOXPFEV-CQSZACIVSA-N 1 0 381.259 3.766 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001154885448 1032326620 /nfs/dbraw/zinc/32/66/20/1032326620.db2.gz OVIWQDPNFMNGHI-SFHVURJKSA-N 1 0 375.394 3.918 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)c1 ZINC001221210272 1032332918 /nfs/dbraw/zinc/33/29/18/1032332918.db2.gz HFTDLDKNWBOUFJ-NRFANRHFSA-N 1 0 381.451 3.567 20 30 GHEDRO N#C[C@H](CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1c(Cl)cccc1Cl ZINC001221398787 1032395633 /nfs/dbraw/zinc/39/56/33/1032395633.db2.gz GDQVSGPFCKGRLU-HOTGVXAUSA-N 1 0 388.298 3.821 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC001221806984 1032541010 /nfs/dbraw/zinc/54/10/10/1032541010.db2.gz VFIOKYAYIOYYNF-UHFFFAOYSA-N 1 0 392.341 3.907 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001227880122 1032664381 /nfs/dbraw/zinc/66/43/81/1032664381.db2.gz FUFAIIXMLGCAPJ-DEOSSOPVSA-N 1 0 393.531 3.963 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cc(C)nn2C)ccc1OC ZINC000925398408 1017078788 /nfs/dbraw/zinc/07/87/88/1017078788.db2.gz XFACWAPAMPDLHL-HMXCVIKNSA-N 1 0 396.535 3.919 20 30 GHEDRO N#Cc1ccsc1NC(=O)CCN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000558128807 1017122823 /nfs/dbraw/zinc/12/28/23/1017122823.db2.gz ABWFAQPWIQXMIF-OAHLLOKOSA-N 1 0 385.493 3.826 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000925673683 1017133160 /nfs/dbraw/zinc/13/31/60/1017133160.db2.gz OFMLFIHTMGPXHT-FJIDUMEYSA-N 1 0 379.545 3.851 20 30 GHEDRO COc1ccc2c(c1)nc(Cl)nc2O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001227928229 1032700169 /nfs/dbraw/zinc/70/01/69/1032700169.db2.gz BMZLOXRGVATCHK-KRWDZBQOSA-N 1 0 394.862 3.817 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1cccnc1 ZINC000928827739 1017570279 /nfs/dbraw/zinc/57/02/79/1017570279.db2.gz FEXQNGYFYDDFPW-OAQYLSRUSA-N 1 0 376.504 3.574 20 30 GHEDRO Cc1sc(NC(=O)C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c(C#N)c1C ZINC000561910159 1017977488 /nfs/dbraw/zinc/97/74/88/1017977488.db2.gz NBGYWBBZUFJGFY-CABCVRRESA-N 1 0 385.533 3.662 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)cc1 ZINC001204299682 1032738703 /nfs/dbraw/zinc/73/87/03/1032738703.db2.gz DBHHIILBZSACEP-RTWAWAEBSA-N 1 0 398.528 3.567 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000562049213 1018019636 /nfs/dbraw/zinc/01/96/36/1018019636.db2.gz BNXXKZRMTBVTJR-KXBFYZLASA-N 1 0 394.906 3.676 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)cc1 ZINC001204301213 1032742000 /nfs/dbraw/zinc/74/20/00/1032742000.db2.gz RTZZNJZOWSXKBQ-XMMPIXPASA-N 1 0 391.515 3.804 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932192786 1018138685 /nfs/dbraw/zinc/13/86/85/1018138685.db2.gz STFADIUTEVABGZ-AWEZNQCLSA-N 1 0 386.546 3.773 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1CN(Cc1cccc(F)c1)C1CCC1 ZINC000932404380 1018266836 /nfs/dbraw/zinc/26/68/36/1018266836.db2.gz MDZABEVNFOHGFF-UHFFFAOYSA-N 1 0 376.435 3.614 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]2CCCO[C@@H]21 ZINC000562546515 1018301429 /nfs/dbraw/zinc/30/14/29/1018301429.db2.gz ZGXAYUZKQBXIIT-ZMYBRWDISA-N 1 0 387.549 3.620 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000562663411 1018504190 /nfs/dbraw/zinc/50/41/90/1018504190.db2.gz GMQWUYPURRACBC-BWDFOLQRSA-N 1 0 380.513 3.551 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000562684742 1018534713 /nfs/dbraw/zinc/53/47/13/1018534713.db2.gz VPPOIVGPFWIPIH-VXKWHMMOSA-N 1 0 399.498 3.951 20 30 GHEDRO FC1(F)[C@H]2CN(CCC[NH+]3CCCCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932949665 1018780966 /nfs/dbraw/zinc/78/09/66/1018780966.db2.gz PSRYROFIGGZFMJ-TXEJJXNPSA-N 1 0 394.350 3.965 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000933046940 1018819475 /nfs/dbraw/zinc/81/94/75/1018819475.db2.gz ZVUDTKNUSPDNOB-QFIPXVFZSA-N 1 0 391.556 3.952 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1F ZINC000563747386 1018949090 /nfs/dbraw/zinc/94/90/90/1018949090.db2.gz MZFYZFPFHGCOSD-GOSISDBHSA-N 1 0 395.887 3.506 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001204370483 1032811894 /nfs/dbraw/zinc/81/18/94/1032811894.db2.gz ADDGEORQGXAHFZ-PKTZIBPZSA-N 1 0 377.488 3.541 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001204371068 1032812836 /nfs/dbraw/zinc/81/28/36/1032812836.db2.gz SNTMFTPKKCAJGH-XZOQPEGZSA-N 1 0 377.488 3.541 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1F ZINC000570423506 1019605756 /nfs/dbraw/zinc/60/57/56/1019605756.db2.gz PIXSPRUFRMVRSY-HZPDHXFCSA-N 1 0 380.423 3.563 20 30 GHEDRO N#Cc1cc2c(nc1N1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CCOC2 ZINC000574367071 1019870790 /nfs/dbraw/zinc/87/07/90/1019870790.db2.gz AFRGZJMTAOKNNF-UHFFFAOYSA-N 1 0 388.515 3.518 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000157986917 1019887954 /nfs/dbraw/zinc/88/79/54/1019887954.db2.gz QEKDTTGIUNBECV-HNNXBMFYSA-N 1 0 395.528 3.935 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1cccc(OC(F)(F)F)c1)CC2 ZINC001204429866 1032861762 /nfs/dbraw/zinc/86/17/62/1032861762.db2.gz GDVOJMWXTHDCBL-UHFFFAOYSA-N 1 0 381.398 3.580 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000576911767 1020085589 /nfs/dbraw/zinc/08/55/89/1020085589.db2.gz SMQYVELOBOGRAE-XUZZJYLKSA-N 1 0 393.527 3.839 20 30 GHEDRO C=CCOc1ccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)cc1OC ZINC000577026730 1020106411 /nfs/dbraw/zinc/10/64/11/1020106411.db2.gz YFLBKJIAMYKNRB-UHFFFAOYSA-N 1 0 379.460 3.985 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000600719922 1020223688 /nfs/dbraw/zinc/22/36/88/1020223688.db2.gz XJRHLKJGBPLBQG-QFIPXVFZSA-N 1 0 386.499 3.743 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000600719920 1020224475 /nfs/dbraw/zinc/22/44/75/1020224475.db2.gz XJRHLKJGBPLBQG-JOCHJYFZSA-N 1 0 386.499 3.743 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000600741891 1020230664 /nfs/dbraw/zinc/23/06/64/1020230664.db2.gz RGJDIPOPKQIHGN-CXAGYDPISA-N 1 0 388.309 3.952 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(C)nn(-c3ccccc3)c1C)C2 ZINC001204449928 1032891713 /nfs/dbraw/zinc/89/17/13/1032891713.db2.gz YKLTWLKNGXWUPC-GMAHTHKFSA-N 1 0 381.520 3.815 20 30 GHEDRO CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001204454570 1032897841 /nfs/dbraw/zinc/89/78/41/1032897841.db2.gz BXNSAAJXCCDDBP-XMMPIXPASA-N 1 0 389.499 3.974 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21)c1cccc(Cl)c1 ZINC000192346399 1020865349 /nfs/dbraw/zinc/86/53/49/1020865349.db2.gz JOMFANDFVUCOEM-IBGZPJMESA-N 1 0 383.879 3.959 20 30 GHEDRO C=CCOc1ccc(C(=O)c2ccccc2)c(OCC[N@H+]2CC[C@@H](OC)C2)c1 ZINC001228453918 1032942004 /nfs/dbraw/zinc/94/20/04/1032942004.db2.gz BTDITYMORDREBU-HXUWFJFHSA-N 1 0 381.472 3.582 20 30 GHEDRO CCOCCCNC(=[NH2+])NCc1ccccc1COc1ccccc1Cl ZINC000304746916 1021153880 /nfs/dbraw/zinc/15/38/80/1021153880.db2.gz GAMDBKXPYJHYGT-UHFFFAOYSA-N 1 0 375.900 3.750 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2nc(C)ccc2CC#N)cc1 ZINC001156293934 1032962902 /nfs/dbraw/zinc/96/29/02/1032962902.db2.gz JRXUGEQRKJKLII-NRFANRHFSA-N 1 0 378.520 3.956 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)c1 ZINC001140287939 1021322388 /nfs/dbraw/zinc/32/23/88/1021322388.db2.gz KQVOYVKOZVAXIK-XMMPIXPASA-N 1 0 391.515 3.563 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccccc3-c3cccnc3)C2)CC1 ZINC001140314334 1021380943 /nfs/dbraw/zinc/38/09/43/1021380943.db2.gz UUDWKDNTQKMCKD-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO C[C@@H](C#N)OCC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000801934270 1021456813 /nfs/dbraw/zinc/45/68/13/1021456813.db2.gz IWMCSILBNCYVTI-IBGZPJMESA-N 1 0 380.488 3.790 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc(C#N)ccn1 ZINC000902764236 1021533863 /nfs/dbraw/zinc/53/38/63/1021533863.db2.gz AJVWMEQCSRYWKY-ZBFHGGJFSA-N 1 0 385.309 3.893 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1=O ZINC001140414019 1021616190 /nfs/dbraw/zinc/61/61/90/1021616190.db2.gz AGWNDHQBRDHPJB-NRFANRHFSA-N 1 0 385.508 3.950 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001140441233 1021716557 /nfs/dbraw/zinc/71/65/57/1021716557.db2.gz LYRHWYUDORDCJC-JXFKEZNVSA-N 1 0 381.476 3.907 20 30 GHEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001140481494 1021783113 /nfs/dbraw/zinc/78/31/13/1021783113.db2.gz UBENVDOMQLWARW-IBGZPJMESA-N 1 0 383.536 3.589 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC001140598770 1022041359 /nfs/dbraw/zinc/04/13/59/1022041359.db2.gz DFYDKHVDWMSOEE-PKTZIBPZSA-N 1 0 395.934 3.729 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001140599095 1022042933 /nfs/dbraw/zinc/04/29/33/1022042933.db2.gz PPAVHQZPRDCRBZ-QFIPXVFZSA-N 1 0 397.881 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@H]21 ZINC001140603297 1022049997 /nfs/dbraw/zinc/04/99/97/1022049997.db2.gz ILEXIUULZCFCDU-YXJHDRRASA-N 1 0 375.900 3.947 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cc(F)c(C#N)c(F)c3)C[C@@H]12 ZINC001140757758 1022447673 /nfs/dbraw/zinc/44/76/73/1022447673.db2.gz RJBRDVHYQGMODE-PKTZIBPZSA-N 1 0 395.453 3.601 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1O ZINC000754719527 1022854627 /nfs/dbraw/zinc/85/46/27/1022854627.db2.gz CZZNWHJSZACNDK-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000754730293 1022863549 /nfs/dbraw/zinc/86/35/49/1022863549.db2.gz MIRZGZHXOIJVHR-IBGZPJMESA-N 1 0 399.466 3.664 20 30 GHEDRO C=CCc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754736324 1022868267 /nfs/dbraw/zinc/86/82/67/1022868267.db2.gz JIXNOGBLOIGJQU-QGZVFWFLSA-N 1 0 376.497 3.571 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000756091804 1023518779 /nfs/dbraw/zinc/51/87/79/1023518779.db2.gz SWPKGDUDCPQHDB-OAQYLSRUSA-N 1 0 390.531 3.770 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112934 1023529274 /nfs/dbraw/zinc/52/92/74/1023529274.db2.gz PZZSDHJUJFECTH-MNOVXSKESA-N 1 0 384.933 3.590 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c1C#N ZINC000756532844 1023702005 /nfs/dbraw/zinc/70/20/05/1023702005.db2.gz NHKQPIFYGWQPMN-NRFANRHFSA-N 1 0 384.451 3.676 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccnc3ccc(OC)cc13)C2 ZINC001141147448 1023968365 /nfs/dbraw/zinc/96/83/65/1023968365.db2.gz FCQZOAPSKVXVPW-QHCPKHFHSA-N 1 0 379.504 3.777 20 30 GHEDRO N#Cc1cc(F)ccc1CN1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001141163442 1023989867 /nfs/dbraw/zinc/98/98/67/1023989867.db2.gz FCWBOEUQSAEUGC-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO COC[C@H]1Cn2ccnc2CN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141292331 1024421771 /nfs/dbraw/zinc/42/17/71/1024421771.db2.gz YTJNHTQOFINUIQ-HXUWFJFHSA-N 1 0 388.471 3.825 20 30 GHEDRO C#CCOc1ccc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1OC ZINC001138342927 1024703371 /nfs/dbraw/zinc/70/33/71/1024703371.db2.gz DHQYGSJROJPPRB-UHFFFAOYSA-N 1 0 378.516 3.804 20 30 GHEDRO C#CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1OC ZINC001138343808 1024704893 /nfs/dbraw/zinc/70/48/93/1024704893.db2.gz RBSIMQKWDLSJOT-KRWDZBQOSA-N 1 0 388.508 3.539 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000831704297 1024762240 /nfs/dbraw/zinc/76/22/40/1024762240.db2.gz DBINJCDFSJCWDH-RTWAWAEBSA-N 1 0 399.535 3.647 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4ccc(OC)cc34)C2)C1 ZINC001138504477 1024938823 /nfs/dbraw/zinc/93/88/23/1024938823.db2.gz ZNBARPGUZCYGPP-JOCHJYFZSA-N 1 0 383.492 3.787 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)cc1 ZINC001138559083 1025021483 /nfs/dbraw/zinc/02/14/83/1025021483.db2.gz OECGMTJQVHBBCJ-QHCPKHFHSA-N 1 0 388.511 3.679 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)C2 ZINC001138573975 1025049276 /nfs/dbraw/zinc/04/92/76/1025049276.db2.gz VAMFXBDDZGICFU-SIKLNZKXSA-N 1 0 375.509 3.809 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)c1O ZINC001138624501 1025122916 /nfs/dbraw/zinc/12/29/16/1025122916.db2.gz MRJLSMBLCNNYEA-UHFFFAOYSA-N 1 0 377.410 3.857 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)c1O ZINC001138626167 1025124013 /nfs/dbraw/zinc/12/40/13/1025124013.db2.gz CQGMDBQSNNJPEA-XMMPIXPASA-N 1 0 391.515 3.673 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)c1O ZINC001138626985 1025125760 /nfs/dbraw/zinc/12/57/60/1025125760.db2.gz VEJGRYYHHZAIPQ-DEOSSOPVSA-N 1 0 392.499 3.758 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1O ZINC001138627501 1025127613 /nfs/dbraw/zinc/12/76/13/1025127613.db2.gz KHCGXXKHNCTOIU-BHDDXSALSA-N 1 0 380.488 3.717 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1O ZINC001138629304 1025130045 /nfs/dbraw/zinc/13/00/45/1025130045.db2.gz UFOIZFSTPTZNTA-DEOSSOPVSA-N 1 0 387.483 3.621 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1cccn1-c1ccccc1F)CC2 ZINC001138630131 1025131869 /nfs/dbraw/zinc/13/18/69/1025131869.db2.gz AYJVENKZHNWTDY-UHFFFAOYSA-N 1 0 380.467 3.611 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c(C)nn(CC)c3C)C[C@@H]2c2ccccc2)C1=O ZINC001138643330 1025150552 /nfs/dbraw/zinc/15/05/52/1025150552.db2.gz VVARNPZHKUKLJR-VWNXMTODSA-N 1 0 392.547 3.524 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC001138663771 1025185455 /nfs/dbraw/zinc/18/54/55/1025185455.db2.gz CJFSNYWOCGAFGW-MOPGFXCFSA-N 1 0 383.517 3.587 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001138664324 1025185767 /nfs/dbraw/zinc/18/57/67/1025185767.db2.gz NJPLXMQWMYWBMI-QPPBQGQZSA-N 1 0 391.515 3.565 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(-c3noc(CC4(C#N)CCCCC4)n3)c2)CC1 ZINC001205157454 1033277344 /nfs/dbraw/zinc/27/73/44/1033277344.db2.gz CRZHHHZTYSRKJQ-UHFFFAOYSA-N 1 0 379.508 3.501 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1nc2ccccc2cc1Br ZINC000838817936 1025385490 /nfs/dbraw/zinc/38/54/90/1025385490.db2.gz SEYQHHOTVCYERP-CQSZACIVSA-N 1 0 389.293 3.888 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162033271 1025552160 /nfs/dbraw/zinc/55/21/60/1025552160.db2.gz OZXKGFSWGMSLAP-UHFFFAOYSA-N 1 0 387.462 3.888 20 30 GHEDRO COc1cc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)ncc1C#N ZINC001162049243 1025563968 /nfs/dbraw/zinc/56/39/68/1025563968.db2.gz KJROJJFPBNIKTN-UHFFFAOYSA-N 1 0 390.409 3.757 20 30 GHEDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000839145793 1025639869 /nfs/dbraw/zinc/63/98/69/1025639869.db2.gz TUNFMQPKMBEDJY-VQIMIIECSA-N 1 0 385.471 3.620 20 30 GHEDRO COC(=O)c1cccc(CN(c2ccc(CC#N)c(C)n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162192106 1025658502 /nfs/dbraw/zinc/65/85/02/1025658502.db2.gz MNLOKOZLMWHBDF-MEMLXQNLSA-N 1 0 392.503 3.519 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cnc1Cl ZINC001162197634 1025664389 /nfs/dbraw/zinc/66/43/89/1025664389.db2.gz RRSLLCGKYCVKGO-QAQDUYKDSA-N 1 0 391.853 3.823 20 30 GHEDRO CSCc1nc2sc3c(c2c(NC2(C#N)CC[NH+](C)CC2)n1)CCCC3 ZINC001162231472 1025681587 /nfs/dbraw/zinc/68/15/87/1025681587.db2.gz KQHSHKCLROWBSX-UHFFFAOYSA-N 1 0 387.578 3.833 20 30 GHEDRO N#CCOc1ccc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1 ZINC000832585140 1025742425 /nfs/dbraw/zinc/74/24/25/1025742425.db2.gz IYYLCWZZKPIMAD-VQTJNVASSA-N 1 0 389.421 3.709 20 30 GHEDRO CCOc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)ccc1OC(C)=O ZINC001139009677 1025759509 /nfs/dbraw/zinc/75/95/09/1025759509.db2.gz UQHVNSAPNOYYOD-NRFANRHFSA-N 1 0 394.471 3.926 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2cccc(C)n2)C1 ZINC001139027766 1025795567 /nfs/dbraw/zinc/79/55/67/1025795567.db2.gz BADCUMMUXDRYNS-QPPBQGQZSA-N 1 0 394.515 3.620 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001139028581 1025796487 /nfs/dbraw/zinc/79/64/87/1025796487.db2.gz YABJQMZRIJDTJK-AKFKNWHVSA-N 1 0 393.531 3.510 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC001139033040 1025806149 /nfs/dbraw/zinc/80/61/49/1025806149.db2.gz ZIBZIBSMGAMRAU-QFIPXVFZSA-N 1 0 397.544 3.641 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2ccc3c(c2)CC[NH2+]C3)n1 ZINC001162807209 1025923956 /nfs/dbraw/zinc/92/39/56/1025923956.db2.gz AWPIJWYHMPNFBI-JSXXSUDDSA-N 1 0 384.549 3.529 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)NC[C@@H]3CC[NH2+]C[C@@H]3F)cnc2Cl)c1 ZINC001162807714 1025924225 /nfs/dbraw/zinc/92/42/25/1025924225.db2.gz IDGRZBHWOSRASR-YOEHRIQHSA-N 1 0 394.828 3.860 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C2 ZINC001139116282 1025924799 /nfs/dbraw/zinc/92/47/99/1025924799.db2.gz DVBJEDHDERZUPC-GHTZIAJQSA-N 1 0 395.927 3.931 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000839471884 1025963202 /nfs/dbraw/zinc/96/32/02/1025963202.db2.gz YWAMGCXYMDUGNE-HXUWFJFHSA-N 1 0 393.531 3.581 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001163032762 1026014789 /nfs/dbraw/zinc/01/47/89/1026014789.db2.gz YYJNVGRERBMYOE-NRFANRHFSA-N 1 0 375.472 3.831 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(N(C)C)cc1 ZINC000839563178 1026062048 /nfs/dbraw/zinc/06/20/48/1026062048.db2.gz HNEYWWKAXIWIDH-AWEZNQCLSA-N 1 0 382.533 3.854 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-n3cnc(-c4ccc(C[NH3+])cc4)c3)nn2)cc1 ZINC001163215038 1026089642 /nfs/dbraw/zinc/08/96/42/1026089642.db2.gz CVSWBGJSDIAGKM-FQEVSTJZSA-N 1 0 380.455 3.752 20 30 GHEDRO C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000839644605 1026158743 /nfs/dbraw/zinc/15/87/43/1026158743.db2.gz YBOBRJHQJIOHOQ-SFHVURJKSA-N 1 0 375.266 3.517 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc4ccc(OC)cc4nc3Cl)C2)C1=O ZINC001139308361 1026163831 /nfs/dbraw/zinc/16/38/31/1026163831.db2.gz RJSKQBDSMMBUER-QFIPXVFZSA-N 1 0 399.922 3.897 20 30 GHEDRO C#CCCC1(CC[NH2+]c2ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]2)N=N1 ZINC001163380708 1026168060 /nfs/dbraw/zinc/16/80/60/1026168060.db2.gz HLNZUYMRTURTHW-UHFFFAOYSA-N 1 0 389.459 3.624 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1c1ccccc1 ZINC001141664577 1026184045 /nfs/dbraw/zinc/18/40/45/1026184045.db2.gz RIRMBIKVHJFTDF-MSOLQXFVSA-N 1 0 399.288 3.709 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H](Cc2ccc(C#N)cc2)C(=O)OC)nc1 ZINC001163506335 1026218629 /nfs/dbraw/zinc/21/86/29/1026218629.db2.gz QFYPZQMDZVOFSQ-LEWJYISDSA-N 1 0 392.503 3.696 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cc(Cl)cnc3Cl)C2)C1 ZINC001139354350 1026226278 /nfs/dbraw/zinc/22/62/78/1026226278.db2.gz QCWMPVVRMVPRPB-SFHVURJKSA-N 1 0 384.307 3.999 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)c1 ZINC001163629401 1026258810 /nfs/dbraw/zinc/25/88/10/1026258810.db2.gz CLBWDSAWFGIILM-UHFFFAOYSA-N 1 0 391.475 3.817 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001139392221 1026261297 /nfs/dbraw/zinc/26/12/97/1026261297.db2.gz CVRZXMKHIMNLCJ-PKTZIBPZSA-N 1 0 379.504 3.717 20 30 GHEDRO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139401548 1026271994 /nfs/dbraw/zinc/27/19/94/1026271994.db2.gz CPWKGVFNOLZHQE-CVDCTZTESA-N 1 0 390.487 3.719 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1ccc(-c3cc(C#N)ccn3)cc1)CC2 ZINC001139403844 1026275755 /nfs/dbraw/zinc/27/57/55/1026275755.db2.gz IJYQUOALELNSGM-UHFFFAOYSA-N 1 0 399.498 3.615 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3C[C@H]4CN(Cc5ccccn5)C[C@@H]4C3)cc2)c1 ZINC001139404021 1026276319 /nfs/dbraw/zinc/27/63/19/1026276319.db2.gz PHVBUOYTKNEPJZ-GOTSBHOMSA-N 1 0 395.510 3.579 20 30 GHEDRO Cc1nccnc1O[C@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405956 1026278459 /nfs/dbraw/zinc/27/84/59/1026278459.db2.gz GXGZXEYQJGFHKE-NRFANRHFSA-N 1 0 385.471 3.762 20 30 GHEDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139425612 1026297018 /nfs/dbraw/zinc/29/70/18/1026297018.db2.gz BSUHKXLHUOFYOH-QHCPKHFHSA-N 1 0 390.487 3.722 20 30 GHEDRO Cc1cnc(N2CCC[N@H+](Cc3ccncc3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001163826204 1026327423 /nfs/dbraw/zinc/32/74/23/1026327423.db2.gz DVNRCNFCGFSJSM-UHFFFAOYSA-N 1 0 378.596 3.726 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3c(Cl)ccnc3Cl)C2)C1 ZINC001139474861 1026337484 /nfs/dbraw/zinc/33/74/84/1026337484.db2.gz KEZBYZDEZUHNMT-SFHVURJKSA-N 1 0 384.307 3.999 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)cc1F ZINC001139527957 1026384648 /nfs/dbraw/zinc/38/46/48/1026384648.db2.gz JSACHCLOSMNDAI-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001139527810 1026385040 /nfs/dbraw/zinc/38/50/40/1026385040.db2.gz POYAWAJPSPDYHK-UNWVZKJWSA-N 1 0 378.495 3.825 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(-c3ccccc3)[nH]1)[C@@H]2CC ZINC001139554389 1026424067 /nfs/dbraw/zinc/42/40/67/1026424067.db2.gz JKLRXYDMHBIWQW-OFNKIYASSA-N 1 0 378.520 3.998 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cnc(-c5ccccc5)[nH]4)C3)CC2=O)c1 ZINC001139555613 1026426011 /nfs/dbraw/zinc/42/60/11/1026426011.db2.gz OWRYJLMAAIJBEB-XMMPIXPASA-N 1 0 397.482 3.577 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)cc(Cl)c3C#N)CC2)cc1 ZINC001164328536 1026486526 /nfs/dbraw/zinc/48/65/26/1026486526.db2.gz XBPYCVADNHRTGI-UHFFFAOYSA-N 1 0 399.926 3.548 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)c1 ZINC001139648165 1026509571 /nfs/dbraw/zinc/50/95/71/1026509571.db2.gz YLDQLLWSDCCLTG-NRFANRHFSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001164439523 1026514412 /nfs/dbraw/zinc/51/44/12/1026514412.db2.gz QVRURWBDNRUAAF-UHFFFAOYSA-N 1 0 376.838 3.648 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3OC(F)(F)F)C2)C1=O ZINC001276401034 1026528820 /nfs/dbraw/zinc/52/88/20/1026528820.db2.gz JCGMCXMWJYRONY-KRWDZBQOSA-N 1 0 388.817 3.849 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001139689904 1026542383 /nfs/dbraw/zinc/54/23/83/1026542383.db2.gz XWOFMFSURDRDDT-HKUYNNGSSA-N 1 0 385.870 3.688 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c3c1cccc3C#N)[C@@H]2CC ZINC001139701086 1026546258 /nfs/dbraw/zinc/54/62/58/1026546258.db2.gz IFQWPFAUWWKOQB-OFNKIYASSA-N 1 0 376.504 3.961 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139706087 1026550875 /nfs/dbraw/zinc/55/08/75/1026550875.db2.gz KUYNWTNYJCOTNE-SJLPKXTDSA-N 1 0 380.492 3.728 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001164608582 1026566645 /nfs/dbraw/zinc/56/66/45/1026566645.db2.gz UPLDHZNSXAFPHL-ZDUSSCGKSA-N 1 0 397.256 3.826 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001165059641 1026579728 /nfs/dbraw/zinc/57/97/28/1026579728.db2.gz FCQWXELUPUFEAK-UHFFFAOYSA-N 1 0 387.462 3.519 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC3(CC2)CC(=O)N(CC(C)C)c2ccccc23)cn1 ZINC001139771702 1026605647 /nfs/dbraw/zinc/60/56/47/1026605647.db2.gz LUOWEPPUXQTOES-UHFFFAOYSA-N 1 0 392.547 3.996 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)cn1 ZINC001139771982 1026605715 /nfs/dbraw/zinc/60/57/15/1026605715.db2.gz VZUSMUARWIDRNL-UHFFFAOYSA-N 1 0 390.531 3.750 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001165159645 1026639231 /nfs/dbraw/zinc/63/92/31/1026639231.db2.gz ILNHFLNUZPXALG-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCCN(Cc4ccncc4Cl)C3)C2)c1 ZINC001139846177 1026664048 /nfs/dbraw/zinc/66/40/48/1026664048.db2.gz ISUBAMLOUSVPIA-QFIPXVFZSA-N 1 0 396.922 3.726 20 30 GHEDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139874711 1026690238 /nfs/dbraw/zinc/69/02/38/1026690238.db2.gz JFVJGFMLAUARMB-OAQYLSRUSA-N 1 0 377.463 3.678 20 30 GHEDRO CC(C)(C)N(c1nc(C#N)c(Cl)cc1Cl)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671537 1026792446 /nfs/dbraw/zinc/79/24/46/1026792446.db2.gz FXCWHHIWOXILSX-GFCCVEGCSA-N 1 0 383.323 3.776 20 30 GHEDRO Cc1cccc(N(c2ccc(C3(C#N)CCC3)cn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165775360 1026833715 /nfs/dbraw/zinc/83/37/15/1026833715.db2.gz ZXZPGQMIRRUWOA-URXFXBBRSA-N 1 0 388.515 3.994 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H]12 ZINC001140114112 1026895919 /nfs/dbraw/zinc/89/59/19/1026895919.db2.gz PABUIBXJTOQNSK-LOSJGSFVSA-N 1 0 398.510 3.804 20 30 GHEDRO N#Cc1ccc2[nH]cc(CN3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001140114564 1026896954 /nfs/dbraw/zinc/89/69/54/1026896954.db2.gz XJHUNYHDGUJHQO-CTNGQTDRSA-N 1 0 390.462 3.516 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140115152 1026897303 /nfs/dbraw/zinc/89/73/03/1026897303.db2.gz OJZDXAATRKCONH-FUHWJXTLSA-N 1 0 380.492 3.728 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1=O ZINC001140139014 1026913038 /nfs/dbraw/zinc/91/30/38/1026913038.db2.gz YBGMFOGIVIOHRZ-FQEVSTJZSA-N 1 0 377.463 3.535 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c(F)c1 ZINC001140138732 1026913251 /nfs/dbraw/zinc/91/32/51/1026913251.db2.gz PQURGKQDJRUZSV-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(C#N)cc4F)C3)C2=O)c1 ZINC001140138996 1026913337 /nfs/dbraw/zinc/91/33/37/1026913337.db2.gz XFYFMNJDLUSXEM-QHCPKHFHSA-N 1 0 377.463 3.630 20 30 GHEDRO N#Cc1ccc(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c(F)c1 ZINC001140139668 1026914166 /nfs/dbraw/zinc/91/41/66/1026914166.db2.gz HSPLPECFMLPYAF-CQSZACIVSA-N 1 0 380.345 3.550 20 30 GHEDRO COc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)ccc1C ZINC001140162346 1026936049 /nfs/dbraw/zinc/93/60/49/1026936049.db2.gz RBGQMSIXTFTYOC-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1cc2c(n(Cc3cccc(F)c3F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001166549754 1027025064 /nfs/dbraw/zinc/02/50/64/1027025064.db2.gz LIMYOUYJCNEWJN-UHFFFAOYSA-N 1 0 391.421 3.605 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3n[nH]c4ccc(Cl)cc34)C2)C1 ZINC001209750632 1027140249 /nfs/dbraw/zinc/14/02/49/1027140249.db2.gz KPMWERJGDKVCQM-FQEVSTJZSA-N 1 0 388.899 3.827 20 30 GHEDRO C[NH+]1CCN(CCNc2ccc(Nc3sc4ccccc4c3C#N)cn2)CC1 ZINC001209815513 1027212088 /nfs/dbraw/zinc/21/20/88/1027212088.db2.gz YBAUTXOONJWQBJ-UHFFFAOYSA-N 1 0 392.532 3.571 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1=S ZINC000840152732 1027284431 /nfs/dbraw/zinc/28/44/31/1027284431.db2.gz IGSDLFCKJFGMLA-GOSISDBHSA-N 1 0 385.581 3.948 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](C3CCC3)C2)c1=S ZINC000840189490 1027330977 /nfs/dbraw/zinc/33/09/77/1027330977.db2.gz QLASKJNKUCJVKU-IBGZPJMESA-N 1 0 389.613 3.708 20 30 GHEDRO Cc1cc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000840240282 1027372773 /nfs/dbraw/zinc/37/27/73/1027372773.db2.gz IALRSKPWIKWBGS-UHFFFAOYSA-N 1 0 387.443 3.645 20 30 GHEDRO N#Cc1cc(Cc2ccccc2)sc1Nc1ccnc(N2CC[NH2+]CC2)c1 ZINC001210262053 1027411324 /nfs/dbraw/zinc/41/13/24/1027411324.db2.gz PGUZMTKGGCYELE-UHFFFAOYSA-N 1 0 375.501 3.759 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC001141858113 1027462678 /nfs/dbraw/zinc/46/26/78/1027462678.db2.gz ZZWZBYDGRPXCOZ-SFHVURJKSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc(Cl)ccc4O)C3)CC2=O)c1 ZINC001203659066 1027516115 /nfs/dbraw/zinc/51/61/15/1027516115.db2.gz QZZWMZSWDCVLAJ-NRFANRHFSA-N 1 0 381.863 3.546 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC001203758407 1027582197 /nfs/dbraw/zinc/58/21/97/1027582197.db2.gz XRBOYSXASFKKDE-UHFFFAOYSA-N 1 0 399.535 3.939 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccc(Br)cc23)c1 ZINC001203764502 1027585908 /nfs/dbraw/zinc/58/59/08/1027585908.db2.gz RJDGRQDEUFFMMB-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001203892172 1027685942 /nfs/dbraw/zinc/68/59/42/1027685942.db2.gz VCSLDXLRPDAGLM-DEOSSOPVSA-N 1 0 375.516 3.986 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2cc(Br)ccc23)cc1 ZINC001203899909 1027693193 /nfs/dbraw/zinc/69/31/93/1027693193.db2.gz GRRFZCBQSXEDGE-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO CSc1nc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)ccc1C#N ZINC001141934193 1027698770 /nfs/dbraw/zinc/69/87/70/1027698770.db2.gz HLXLLINXWBKIEK-UTKZUKDTSA-N 1 0 380.517 3.751 20 30 GHEDRO CSc1nc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)ccc1C#N ZINC001141934778 1027700439 /nfs/dbraw/zinc/70/04/39/1027700439.db2.gz XWJHZSKARGEZPO-SFTDATJTSA-N 1 0 394.544 3.682 20 30 GHEDRO CSc1nc(C[N@H+](C)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)ccc1C#N ZINC001141943841 1027720872 /nfs/dbraw/zinc/72/08/72/1027720872.db2.gz MSGIIBOMXMUMFN-IAGOWNOFSA-N 1 0 390.553 3.943 20 30 GHEDRO O=C1[C@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C[C@H]2CN1c1cccnc1 ZINC001141975562 1027787637 /nfs/dbraw/zinc/78/76/37/1027787637.db2.gz APAQYOZXJPDUDI-CVDCTZTESA-N 1 0 399.519 3.638 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(OCC#N)cc1 ZINC000840758269 1027795179 /nfs/dbraw/zinc/79/51/79/1027795179.db2.gz FDWFVHCLQSIHOX-HNNXBMFYSA-N 1 0 387.430 3.555 20 30 GHEDRO C=CCC[C@@H]1NC(=O)N(c2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1=O ZINC000840898379 1027931365 /nfs/dbraw/zinc/93/13/65/1027931365.db2.gz DOYRNPHVAHXMIP-SFTDATJTSA-N 1 0 399.535 3.857 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001461312691 1069494330 /nfs/dbraw/zinc/49/43/30/1069494330.db2.gz PIMVNEIFIHGYSK-OTWHNJEPSA-N 1 0 379.504 3.770 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000841036921 1028060375 /nfs/dbraw/zinc/06/03/75/1028060375.db2.gz QHJAOLKZWFFEQM-UHFFFAOYSA-N 1 0 391.309 3.937 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)cc1 ZINC001213424147 1028185686 /nfs/dbraw/zinc/18/56/86/1028185686.db2.gz FIBQZBTXVCJXBZ-UHFFFAOYSA-N 1 0 398.572 3.747 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC001213543990 1028253366 /nfs/dbraw/zinc/25/33/66/1028253366.db2.gz JTAZUZPFXZKTON-UHFFFAOYSA-N 1 0 395.956 3.631 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1=O ZINC001142192789 1028334114 /nfs/dbraw/zinc/33/41/14/1028334114.db2.gz VREDLIRPOUMESS-QHCPKHFHSA-N 1 0 384.520 3.642 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000841368209 1028510735 /nfs/dbraw/zinc/51/07/35/1028510735.db2.gz FTNMLTBFHGWCRS-MSABZPHASA-N 1 0 389.499 3.706 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2cncn2-c2cc[nH+]cc2)n1 ZINC001214348906 1028687037 /nfs/dbraw/zinc/68/70/37/1028687037.db2.gz CEQPNWCDLISHPE-UHFFFAOYSA-N 1 0 393.204 3.618 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC001215273045 1029125326 /nfs/dbraw/zinc/12/53/26/1029125326.db2.gz DCKQBPRHVODVMR-JOCHJYFZSA-N 1 0 377.488 3.731 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3cccc(CN4CC[NH+](C)CC4)c3)no2)cc1 ZINC001215291376 1029135260 /nfs/dbraw/zinc/13/52/60/1029135260.db2.gz QFECUEYAEFKIRW-UHFFFAOYSA-N 1 0 390.487 3.716 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1C#N ZINC001461535720 1069597666 /nfs/dbraw/zinc/59/76/66/1069597666.db2.gz XGKNIXQDAGYYNM-QRWLVFNGSA-N 1 0 381.451 3.548 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@H]21 ZINC001142915478 1029687753 /nfs/dbraw/zinc/68/77/53/1029687753.db2.gz AZPFEAUOEXTPLB-OXQOHEQNSA-N 1 0 380.492 3.871 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)CC[C@H]21 ZINC001142916001 1029688759 /nfs/dbraw/zinc/68/87/59/1029688759.db2.gz LOMOOXOZCDBPIW-OXQOHEQNSA-N 1 0 380.492 3.871 20 30 GHEDRO Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c[nH]c5cc(C#N)ccc45)C3)CC2=O)c1 ZINC001142928646 1029709277 /nfs/dbraw/zinc/70/92/77/1029709277.db2.gz FXMJGSWBBFREGJ-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(C[C@@H](c5ccccc5)C(=O)N4)CC3)c[nH]c2c1 ZINC001142928584 1029709356 /nfs/dbraw/zinc/70/93/56/1029709356.db2.gz DBIMUWJEVFUJLJ-NRFANRHFSA-N 1 0 384.483 3.678 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c[nH]c2c1 ZINC001142929013 1029710688 /nfs/dbraw/zinc/71/06/88/1029710688.db2.gz SLOTWZSIHJNETN-DEOSSOPVSA-N 1 0 395.466 3.540 20 30 GHEDRO C=CCOc1ccccc1-c1nc(-c2ccc(N3CCC([NH3+])CC3)cc2)no1 ZINC000843144128 1029827516 /nfs/dbraw/zinc/82/75/16/1029827516.db2.gz URAMPYSWCJIVPO-UHFFFAOYSA-N 1 0 376.460 3.896 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(OC)cc(C)cc3OC)C2)C1 ZINC001143132733 1029860847 /nfs/dbraw/zinc/86/08/47/1029860847.db2.gz ISOBXIDTTNKFBQ-JOCHJYFZSA-N 1 0 388.508 3.623 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(OC)cc(C)cc1OC)C2 ZINC001143140054 1029865194 /nfs/dbraw/zinc/86/51/94/1029865194.db2.gz WFHUPPSMDUEJEQ-YADHBBJMSA-N 1 0 375.509 3.586 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)C1=O ZINC001143170630 1029880995 /nfs/dbraw/zinc/88/09/95/1029880995.db2.gz JAJOXGSBASECBA-QHCPKHFHSA-N 1 0 395.453 3.983 20 30 GHEDRO C[NH+]1CCC(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)(c2ccccc2)CC1 ZINC001216727955 1029907384 /nfs/dbraw/zinc/90/73/84/1029907384.db2.gz FRWPXFTXNALNPT-UHFFFAOYSA-N 1 0 393.535 3.900 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC001216741962 1029913985 /nfs/dbraw/zinc/91/39/85/1029913985.db2.gz GSQUAHCJZZXIOU-FQEVSTJZSA-N 1 0 379.504 3.773 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nnc([C@H]3C[C@@H]3c3ccc(Cl)cc3)o2)cc1 ZINC001217711667 1030621704 /nfs/dbraw/zinc/62/17/04/1030621704.db2.gz PYYFDSXNVLMTKS-OTWHNJEPSA-N 1 0 378.863 3.978 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 ZINC001217731527 1030633435 /nfs/dbraw/zinc/63/34/35/1030633435.db2.gz OJTJBJJECUOTGN-UHFFFAOYSA-N 1 0 394.523 3.599 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@@H]2CCC[NH2+]C2)cc1 ZINC001217963078 1030692318 /nfs/dbraw/zinc/69/23/18/1030692318.db2.gz NTSVDWMAPJKOML-VEGGFIAOSA-N 1 0 397.471 3.739 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217979551 1030702676 /nfs/dbraw/zinc/70/26/76/1030702676.db2.gz GNVUJGWBNIAYCU-JZSMSDCPSA-N 1 0 397.494 3.789 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3CCC[NH2+]CC3)cc2)cc1 ZINC001217998086 1030713801 /nfs/dbraw/zinc/71/38/01/1030713801.db2.gz ZZHKPTFFWORBNL-GOSISDBHSA-N 1 0 387.501 3.605 20 30 GHEDRO CC1(C)C=Cc2cc(C(=O)/C=C/c3ccc(O)cc3)c(OC3C[NH2+]C3)cc2O1 ZINC001218054311 1030744915 /nfs/dbraw/zinc/74/49/15/1030744915.db2.gz MNTYPPIBDKTBEM-VMPITWQZSA-N 1 0 377.440 3.823 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(OC3CC4(C3)CC[NH2+]C4)c(C#N)c2)nc1C ZINC001218064350 1030751479 /nfs/dbraw/zinc/75/14/79/1030751479.db2.gz WENCCJWJVOGVMF-UHFFFAOYSA-N 1 0 397.500 3.688 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001218089223 1030764894 /nfs/dbraw/zinc/76/48/94/1030764894.db2.gz RHMGVQOTWOFIBF-KRWDZBQOSA-N 1 0 384.520 3.941 20 30 GHEDRO C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001218101135 1030772963 /nfs/dbraw/zinc/77/29/63/1030772963.db2.gz FGGDDSXBWLRAIA-GOSISDBHSA-N 1 0 381.497 3.709 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3C[C@H]4C[C@@H]3C[NH2+]4)c2)cc1OC ZINC001218110772 1030778004 /nfs/dbraw/zinc/77/80/04/1030778004.db2.gz GAKQHCMRVODYFL-NYVVXTHSSA-N 1 0 379.456 3.729 20 30 GHEDRO COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001223891096 1030793064 /nfs/dbraw/zinc/79/30/64/1030793064.db2.gz DFHPUKZJRPRUBQ-SLNYWTKHSA-N 1 0 390.867 3.784 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)c2c(c1OC)O[C@@H](c1ccccc1)CC2=O ZINC001218209245 1030831378 /nfs/dbraw/zinc/83/13/78/1030831378.db2.gz WAJKGUGGMYZLCB-YLJYHZDGSA-N 1 0 395.455 3.707 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001218237248 1030844448 /nfs/dbraw/zinc/84/44/48/1030844448.db2.gz GCDFAUUPIMNTHU-LJQANCHMSA-N 1 0 399.512 3.605 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218263196 1030860353 /nfs/dbraw/zinc/86/03/53/1030860353.db2.gz ARPYQBYHNIIHGE-FPYGCLRLSA-N 1 0 379.456 3.905 20 30 GHEDRO CC1(C)C[NH2+]CC[C@H]1Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001218317053 1030889878 /nfs/dbraw/zinc/88/98/78/1030889878.db2.gz OLJWADPLXZLBII-OAQYLSRUSA-N 1 0 390.462 3.998 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218324206 1030893060 /nfs/dbraw/zinc/89/30/60/1030893060.db2.gz BEIWDYJOGBVIPX-QNRJXKNMSA-N 1 0 379.456 3.587 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)c2)cc1OC ZINC001218330078 1030897440 /nfs/dbraw/zinc/89/74/40/1030897440.db2.gz JZBITHZWTHHRQO-ONRFTSPLSA-N 1 0 379.456 3.587 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@H]2C=CC[NH2+]C2)cc1 ZINC001218335317 1030899687 /nfs/dbraw/zinc/89/96/87/1030899687.db2.gz VVUQOCNUXDOWCY-MZEUMTGBSA-N 1 0 395.455 3.515 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001224170836 1030911022 /nfs/dbraw/zinc/91/10/22/1030911022.db2.gz RBZIWOKLZYIXET-JTSKRJEESA-N 1 0 378.472 3.772 20 30 GHEDRO C[C@@H]1CC[C@H](Oc2nnc(Cc3ccc(F)c(C#N)c3)c3ccccc32)C[NH2+]1 ZINC001218397902 1030919881 /nfs/dbraw/zinc/91/98/81/1030919881.db2.gz HTTUUINJUNMTRS-PBHICJAKSA-N 1 0 376.435 3.751 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC001218422653 1030932462 /nfs/dbraw/zinc/93/24/62/1030932462.db2.gz JMRGHOBZAJXFLT-JXFKEZNVSA-N 1 0 379.456 3.776 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(Br)nc1Br ZINC001218451182 1030941214 /nfs/dbraw/zinc/94/12/14/1030941214.db2.gz BSQRMHVZQQLRBI-NXEZZACHSA-N 1 0 376.092 3.682 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218463629 1030947355 /nfs/dbraw/zinc/94/73/55/1030947355.db2.gz IQPKRJNCOHMLHJ-JGMPQRMLSA-N 1 0 379.456 3.674 20 30 GHEDRO O=C1c2c(O)ccc(O[C@@H]3C[NH2+]Cc4ccccc43)c2C(=O)C(Cl)=C1Cl ZINC001218485628 1030957738 /nfs/dbraw/zinc/95/77/38/1030957738.db2.gz AAJLHHOUGSFFRQ-CYBMUJFWSA-N 1 0 390.222 3.684 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2cccc(F)c2)ccn1 ZINC001218530416 1030974884 /nfs/dbraw/zinc/97/48/84/1030974884.db2.gz QYSWQAKDFSSSFL-RTWAWAEBSA-N 1 0 386.430 3.701 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)cn1 ZINC001218581169 1030993449 /nfs/dbraw/zinc/99/34/49/1030993449.db2.gz GADXQSOWGHUWHH-QFIPXVFZSA-N 1 0 384.483 3.981 20 30 GHEDRO N#Cc1cccc2[nH]nc(NC(=O)[C@H]([NH3+])Cc3ccc(-c4ccccc4)cc3)c21 ZINC001218656773 1031020860 /nfs/dbraw/zinc/02/08/60/1031020860.db2.gz MXNJDYGBRIMZKI-LJQANCHMSA-N 1 0 381.439 3.610 20 30 GHEDRO Cc1cccc2c1C1(C[C@@H]2CC(=O)Nc2n[nH]c3cccc(C#N)c32)CC[NH2+]CC1 ZINC001218656775 1031021563 /nfs/dbraw/zinc/02/15/63/1031021563.db2.gz NCJLPSQWEQWLFX-KRWDZBQOSA-N 1 0 399.498 3.880 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(CCCCO[C@H](CC#N)C[N+](C)(C)C)CC1 ZINC001224537236 1031041210 /nfs/dbraw/zinc/04/12/10/1031041210.db2.gz NKWDRIBHBPSWDH-LJQANCHMSA-N 1 0 382.569 3.809 20 30 GHEDRO N#Cc1ccc(NC(=O)C[C@@H]([NH3+])CSc2ccccc2)c(OC(F)(F)F)c1 ZINC001218840955 1031107314 /nfs/dbraw/zinc/10/73/14/1031107314.db2.gz VHWITPGVMGWUIV-CYBMUJFWSA-N 1 0 395.406 3.905 20 30 GHEDRO COc1ccccc1Oc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)cc1 ZINC001218857907 1031119580 /nfs/dbraw/zinc/11/95/80/1031119580.db2.gz QEPCUNAGWKPNDV-FQEVSTJZSA-N 1 0 387.439 3.868 20 30 GHEDRO CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)Nc2ccc3nc(C#N)sc3c2)cc1 ZINC001218910320 1031147899 /nfs/dbraw/zinc/14/78/99/1031147899.db2.gz JHLBPTXGKBNHIO-MRXNPFEDSA-N 1 0 378.501 3.974 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H](c3ccccc3)C2)ccc1N1CCCCC1 ZINC001218943943 1031168969 /nfs/dbraw/zinc/16/89/69/1031168969.db2.gz FTMGKADKSDQGLI-LEWJYISDSA-N 1 0 388.515 3.880 20 30 GHEDRO N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218971942 1031188883 /nfs/dbraw/zinc/18/88/83/1031188883.db2.gz GAECSYJWAFOAKM-JOCHJYFZSA-N 1 0 388.515 3.889 20 30 GHEDRO CCc1cc(Br)cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)c1 ZINC001218979762 1031192242 /nfs/dbraw/zinc/19/22/42/1031192242.db2.gz XJXWCFUQUXWLEL-MOPGFXCFSA-N 1 0 398.304 3.825 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(N=S(C)(C)=O)c1)C(C)C ZINC001219060961 1031235921 /nfs/dbraw/zinc/23/59/21/1031235921.db2.gz HGDJVXQVPYTUBP-LJQANCHMSA-N 1 0 392.569 3.866 20 30 GHEDRO COC(=O)c1cc(C#N)cc(NC(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)c1 ZINC001219133973 1031267155 /nfs/dbraw/zinc/26/71/55/1031267155.db2.gz YQBVEPGOGKFYLQ-MRXNPFEDSA-N 1 0 392.242 3.680 20 30 GHEDRO C[C@@H](CS)O[C@@H]1C[N@H+](Cc2ccccc2)C2(C1)CCC1(CC2)OCCO1 ZINC001225172897 1031296616 /nfs/dbraw/zinc/29/66/16/1031296616.db2.gz BENGUTKHQWLRCX-HKUYNNGSSA-N 1 0 377.550 3.652 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c4cccc(C#N)c34)cc2F)CC1 ZINC001152768610 1031348723 /nfs/dbraw/zinc/34/87/23/1031348723.db2.gz RJXGKFGTSOYUNQ-UHFFFAOYSA-N 1 0 391.450 3.573 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001225513531 1031449326 /nfs/dbraw/zinc/44/93/26/1031449326.db2.gz UULVHEOUJGTWNX-YADHBBJMSA-N 1 0 379.479 3.945 20 30 GHEDRO N#CCc1ccnc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001219701240 1031563545 /nfs/dbraw/zinc/56/35/45/1031563545.db2.gz KMWQKIHDYJMCOM-HXUWFJFHSA-N 1 0 377.492 3.571 20 30 GHEDRO N#C[C@H](CC(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1c(Cl)cccc1Cl ZINC001219705661 1031566815 /nfs/dbraw/zinc/56/68/15/1031566815.db2.gz MZRWYRIWNXLQPN-INIZCTEOSA-N 1 0 388.298 3.953 20 30 GHEDRO N#Cc1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(F)cc1F ZINC001219882956 1031672831 /nfs/dbraw/zinc/67/28/31/1031672831.db2.gz AKQMESVSOBWYCC-UHFFFAOYSA-N 1 0 384.430 3.870 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)c2ccccc2)CC1 ZINC001220098399 1031784345 /nfs/dbraw/zinc/78/43/45/1031784345.db2.gz RXSZDXWOFMGRAE-IRXDYDNUSA-N 1 0 382.430 3.603 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CC([N@H+](C)Cc4ccccc4)C3)cc21 ZINC001220204366 1031833918 /nfs/dbraw/zinc/83/39/18/1031833918.db2.gz KRVZHZFTETVALQ-UHFFFAOYSA-N 1 0 375.476 3.570 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCc1ccccc1OCc1ccccc1 ZINC001220272880 1031874525 /nfs/dbraw/zinc/87/45/25/1031874525.db2.gz QJNDDWKVDCWQNK-QHCPKHFHSA-N 1 0 399.494 3.714 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001220619248 1032020208 /nfs/dbraw/zinc/02/02/08/1032020208.db2.gz LOMGFEVQABOFNF-XZOQPEGZSA-N 1 0 375.516 3.887 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001461838034 1069781990 /nfs/dbraw/zinc/78/19/90/1069781990.db2.gz MNEKUWUQONUGAV-GOSISDBHSA-N 1 0 383.797 3.892 20 30 GHEDRO CN(C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl)[C@]1(C)CCC[NH2+]C1 ZINC001156977324 1033353934 /nfs/dbraw/zinc/35/39/34/1033353934.db2.gz RQAULQPNGIRKRH-GOSISDBHSA-N 1 0 391.853 3.792 20 30 GHEDRO N#Cc1ccc(Br)c(OC[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001229230823 1033354985 /nfs/dbraw/zinc/35/49/85/1033354985.db2.gz QKVVRTDAVZAEAE-QGZVFWFLSA-N 1 0 387.277 3.601 20 30 GHEDRO COCCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001205502029 1033443055 /nfs/dbraw/zinc/44/30/55/1033443055.db2.gz BAKDNKOPNKXPOA-SFHVURJKSA-N 1 0 391.487 3.545 20 30 GHEDRO C[C@@H]([C@H](Oc1ccc(O)c2c1C(=O)C=CC2=O)c1ccccc1)[NH+]1CCCC1 ZINC001229406283 1033462994 /nfs/dbraw/zinc/46/29/94/1033462994.db2.gz PSUCEPQJZBGWBF-WNSKOXEYSA-N 1 0 377.440 3.932 20 30 GHEDRO C[NH2+][C@@H]1CCCN(Cc2nc(-c3ccc(Oc4ccc(C#N)cc4)cc3)no2)C1 ZINC001205884265 1033620683 /nfs/dbraw/zinc/62/06/83/1033620683.db2.gz ABYPVOTWNSGDGM-GOSISDBHSA-N 1 0 389.459 3.584 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1Br ZINC001206039770 1033698350 /nfs/dbraw/zinc/69/83/50/1033698350.db2.gz HSOAARQXMRHXPV-QGZVFWFLSA-N 1 0 386.293 3.986 20 30 GHEDRO Cc1nc(O[C@H]2CC(F)(F)C2(F)F)c(C#N)cc1-c1ccc2nccn2c1 ZINC001229769576 1033700761 /nfs/dbraw/zinc/70/07/61/1033700761.db2.gz SCPYQDLHGLWGMS-AWEZNQCLSA-N 1 0 376.313 3.998 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1-n1nnc2ccccc21 ZINC001206069082 1033708437 /nfs/dbraw/zinc/70/84/37/1033708437.db2.gz BBKBICHNAJRJQZ-UHFFFAOYSA-N 1 0 397.482 3.941 20 30 GHEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001157660880 1033709062 /nfs/dbraw/zinc/70/90/62/1033709062.db2.gz UTRCFGJDEVGTJM-UHFFFAOYSA-N 1 0 399.611 3.552 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@](F)(C[NH3+])C3)cnc2Cl)c1 ZINC001157816927 1033781217 /nfs/dbraw/zinc/78/12/17/1033781217.db2.gz PDOFABDNRPOCKE-QGZVFWFLSA-N 1 0 380.801 3.696 20 30 GHEDRO C#C[C@@H](C)Oc1ccc2c3c(c(NCC[NH+](C)C)nc2c1)C(=O)c1ccccc1-3 ZINC001230092367 1033895175 /nfs/dbraw/zinc/89/51/75/1033895175.db2.gz XCTNBXCYRXBOOK-OAHLLOKOSA-N 1 0 385.467 3.820 20 30 GHEDRO N#Cc1nc(Cl)cnc1N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001158088896 1033909707 /nfs/dbraw/zinc/90/97/07/1033909707.db2.gz UCJQWCJXVGFKLQ-UHFFFAOYSA-N 1 0 395.816 3.779 20 30 GHEDRO N#Cc1cc(Cl)nc(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)c1 ZINC001158094720 1033913451 /nfs/dbraw/zinc/91/34/51/1033913451.db2.gz RXYDNZRVTQUTPS-UHFFFAOYSA-N 1 0 381.789 3.911 20 30 GHEDRO CN1[C@@H]2C[C@@H](OC3=CC(=O)C=CC3=NNc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230209459 1033945351 /nfs/dbraw/zinc/94/53/51/1033945351.db2.gz YCOYDZHNWCLPIL-XWCXMLJTSA-N 1 0 396.403 3.707 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C[N@@H+]1Cc1ccccc1 ZINC001230216687 1033947698 /nfs/dbraw/zinc/94/76/98/1033947698.db2.gz DPUXQHRJRAAELX-FHZYATBESA-N 1 0 388.515 3.898 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001158167281 1033948942 /nfs/dbraw/zinc/94/89/42/1033948942.db2.gz USHNVGCXDCQOJT-WKILWMFISA-N 1 0 391.853 3.823 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC001206717535 1033956966 /nfs/dbraw/zinc/95/69/66/1033956966.db2.gz XIDZVYUBRRCTCB-UHFFFAOYSA-N 1 0 389.543 3.845 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1NCc1ncn2c1C[NH2+]CCC2 ZINC001158363430 1034044334 /nfs/dbraw/zinc/04/43/34/1034044334.db2.gz DNXQRQMQVCQWGC-UHFFFAOYSA-N 1 0 387.274 3.715 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001230477882 1034080227 /nfs/dbraw/zinc/08/02/27/1034080227.db2.gz BGUVLKMVKRAHAA-FGZHOGPDSA-N 1 0 379.479 3.806 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(Cc4cc(Br)ccc4O3)CC2)cc1C#N ZINC001207111104 1034097888 /nfs/dbraw/zinc/09/78/88/1034097888.db2.gz ZNELVQIUNLEVAO-UHFFFAOYSA-N 1 0 386.293 3.629 20 30 GHEDRO CCOc1ccc([C@@H](NC(=O)NCC#CC[NH+](C)C)c2cccc(Cl)c2)cc1 ZINC001230651175 1034163667 /nfs/dbraw/zinc/16/36/67/1034163667.db2.gz QGGGKMLIEJDSMO-OAQYLSRUSA-N 1 0 399.922 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)C1 ZINC001207216984 1034185990 /nfs/dbraw/zinc/18/59/90/1034185990.db2.gz XSZSNSILQHKGJW-UYAOXDASSA-N 1 0 385.508 3.658 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CCCc4ccc(C[NH3+])nc43)nc2)cc1 ZINC001158655834 1034217296 /nfs/dbraw/zinc/21/72/96/1034217296.db2.gz NAGNTAVSFUJVGF-UHFFFAOYSA-N 1 0 385.471 3.665 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(Br)cc1C)CC2 ZINC001277466846 1034231286 /nfs/dbraw/zinc/23/12/86/1034231286.db2.gz KQSSERNYINWGCA-SFHVURJKSA-N 1 0 391.353 3.970 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cccc(-c3cccc(C(N)=O)c3)c2)C1 ZINC001230839929 1034245738 /nfs/dbraw/zinc/24/57/38/1034245738.db2.gz KCMMEXZMEMAKQI-XMMPIXPASA-N 1 0 397.478 3.977 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159018665 1034384170 /nfs/dbraw/zinc/38/41/70/1034384170.db2.gz BUVHLZQVXOGKBY-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1(C#N)CCCCC1 ZINC001231132692 1034417819 /nfs/dbraw/zinc/41/78/19/1034417819.db2.gz JAXNNCTYBYREBG-UHFFFAOYSA-N 1 0 376.932 3.887 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)N2CCC3(C[NH+](C4CCCC4)C3)CC2)nc1Cl ZINC001277503469 1034500530 /nfs/dbraw/zinc/50/05/30/1034500530.db2.gz RTLGOPRALOJLMI-UHFFFAOYSA-N 1 0 393.318 3.741 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)Cc2c(C)cc(C#N)cc2C)[NH+](C)C)cc1 ZINC001159267085 1034513365 /nfs/dbraw/zinc/51/33/65/1034513365.db2.gz NLGBHKFBTIPSCR-NRFANRHFSA-N 1 0 381.545 3.859 20 30 GHEDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc(-c2ccccc2)c(-c2ccccc2)cc1C#N ZINC001159302764 1034533616 /nfs/dbraw/zinc/53/36/16/1034533616.db2.gz QKUGSLITHBSOHJ-UHFFFAOYSA-N 1 0 395.466 3.988 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)c1C ZINC001277509983 1034544171 /nfs/dbraw/zinc/54/41/71/1034544171.db2.gz LIUSNWDSWFKNRI-IBGZPJMESA-N 1 0 377.326 3.901 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CC4CCSCC4)C3)C2)c1 ZINC001207748347 1034553161 /nfs/dbraw/zinc/55/31/61/1034553161.db2.gz ZZCJSVCVLWBASH-JOCHJYFZSA-N 1 0 385.577 3.620 20 30 GHEDRO Cc1cc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)ncc1C#N ZINC001159580127 1034678011 /nfs/dbraw/zinc/67/80/11/1034678011.db2.gz UMTMJYKCLVCKCF-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO N#Cc1cc(Nc2ccc(C(=O)Nc3ccccc3)cc2)ccc1N1CC[NH2+]CC1 ZINC001159742989 1034730870 /nfs/dbraw/zinc/73/08/70/1034730870.db2.gz QMUNFXXKSVADIW-UHFFFAOYSA-N 1 0 397.482 3.964 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCc4c(F)cccc4F)C3)CC2=O)c1 ZINC001208119248 1034747088 /nfs/dbraw/zinc/74/70/88/1034747088.db2.gz XXKJUZUQVYQXBG-QFIPXVFZSA-N 1 0 381.426 3.508 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001208171648 1034771400 /nfs/dbraw/zinc/77/14/00/1034771400.db2.gz WOSPNRJGOXWUDG-AABGKKOBSA-N 1 0 376.541 3.999 20 30 GHEDRO COc1cc(Br)cc(F)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159942550 1034794701 /nfs/dbraw/zinc/79/47/01/1034794701.db2.gz FPCPISUFQOQFKO-UHFFFAOYSA-N 1 0 376.229 3.899 20 30 GHEDRO CCOC(=O)c1c(C)cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1C ZINC001160100557 1034860266 /nfs/dbraw/zinc/86/02/66/1034860266.db2.gz IIGKJRLWQPNNBR-UHFFFAOYSA-N 1 0 392.503 3.845 20 30 GHEDRO COc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC001208405958 1034885425 /nfs/dbraw/zinc/88/54/25/1034885425.db2.gz PQEXEVDZTDPKTI-UHFFFAOYSA-N 1 0 378.476 3.525 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231819142 1034927598 /nfs/dbraw/zinc/92/75/98/1034927598.db2.gz XPPDPRGVQZQBEV-LJQANCHMSA-N 1 0 380.511 3.882 20 30 GHEDRO CCCOc1ncccc1CN1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001231864366 1034952213 /nfs/dbraw/zinc/95/22/13/1034952213.db2.gz NRAZQHXSYGKKMS-UHFFFAOYSA-N 1 0 381.476 3.794 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3cc(F)c(F)cc3Cl)CC2)C1=O ZINC001276575297 1034968871 /nfs/dbraw/zinc/96/88/71/1034968871.db2.gz GSNUHPOCKNPTAM-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO N#Cc1cnc(N[C@@]2(C[NH3+])CN3CCC2CC3)c2cc(-c3ccccc3)sc21 ZINC001160513052 1034992652 /nfs/dbraw/zinc/99/26/52/1034992652.db2.gz JIPRPWRAKQRGDH-QFIPXVFZSA-N 1 0 389.528 3.670 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@H+](CCOCCOCc3ccccc3)C2)c1 ZINC001208750809 1034997481 /nfs/dbraw/zinc/99/74/81/1034997481.db2.gz QNARAANNIQZNSA-HSZRJFAPSA-N 1 0 380.488 3.635 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(Cc1nc(Br)ccc1F)CC2 ZINC001231942563 1035000776 /nfs/dbraw/zinc/00/07/76/1035000776.db2.gz LIOIPYYYAIJDIR-GOSISDBHSA-N 1 0 396.304 3.516 20 30 GHEDRO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CC1(c2ccccc2)CCCC1 ZINC001208775083 1035015057 /nfs/dbraw/zinc/01/50/57/1035015057.db2.gz POSLHIISQCINLM-NRFANRHFSA-N 1 0 380.536 3.912 20 30 GHEDRO CS(=O)(=O)c1cccc(C2CC[NH+](CCCc3cccc(C#N)c3)CC2)c1 ZINC001208853926 1035059153 /nfs/dbraw/zinc/05/91/53/1035059153.db2.gz CBEGRAAOCCRGJU-UHFFFAOYSA-N 1 0 382.529 3.774 20 30 GHEDRO COc1cccc2c1c(C[NH3+])cn2-c1ccc([C@@H](C#N)c2ccc(C)cc2)nn1 ZINC001160759187 1035059905 /nfs/dbraw/zinc/05/99/05/1035059905.db2.gz DWSBBYDGXJFYOJ-SFHVURJKSA-N 1 0 383.455 3.852 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001208854541 1035060826 /nfs/dbraw/zinc/06/08/26/1035060826.db2.gz QGVPUJAIXQXULO-LJQANCHMSA-N 1 0 377.463 3.750 20 30 GHEDRO CN(Cc1ccco1)[C@@H]1C[N@H+](CCCc2ccc(C#N)cc2)C[C@@H]2CCCO[C@H]12 ZINC001208859660 1035062391 /nfs/dbraw/zinc/06/23/91/1035062391.db2.gz SOFUEEXPUJTRGV-QTJGBDASSA-N 1 0 393.531 3.695 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2c1cnn2CC1CC1 ZINC001208858963 1035062976 /nfs/dbraw/zinc/06/29/76/1035062976.db2.gz KIIBUFIEMHDGJI-NRFANRHFSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)cc1 ZINC001208861117 1035063520 /nfs/dbraw/zinc/06/35/20/1035063520.db2.gz CELMSISMCBDXGC-WXFUMESZSA-N 1 0 391.515 3.725 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCc1ccc(C(=O)OCC)cc1)CC2 ZINC001208866875 1035066974 /nfs/dbraw/zinc/06/69/74/1035066974.db2.gz PVLIGFUQSNAJAS-DEOSSOPVSA-N 1 0 398.547 3.829 20 30 GHEDRO CCOC(=O)c1cc(C)nc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)c1C#N ZINC001160842250 1035077431 /nfs/dbraw/zinc/07/74/31/1035077431.db2.gz DXECHMZGRRZBLW-UHFFFAOYSA-N 1 0 376.460 3.619 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC001208927218 1035092774 /nfs/dbraw/zinc/09/27/74/1035092774.db2.gz TYDJKCLQZFPLPN-ZEQRLZLVSA-N 1 0 391.515 3.584 20 30 GHEDRO C=CCOCc1ncn2c1CN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC001208932504 1035096362 /nfs/dbraw/zinc/09/63/62/1035096362.db2.gz BAXGHOITBIIPMF-JOCHJYFZSA-N 1 0 394.563 3.704 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]12 ZINC001232114104 1035102620 /nfs/dbraw/zinc/10/26/20/1035102620.db2.gz DBSIVDOMLPIZCW-DHIUTWEWSA-N 1 0 393.918 3.976 20 30 GHEDRO CC[C@H]1[N@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@]12CCC(=O)N2CCOC ZINC001232114110 1035102656 /nfs/dbraw/zinc/10/26/56/1035102656.db2.gz DCYXOYGJDMPGPU-CTNGQTDRSA-N 1 0 389.927 3.594 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001160952101 1035103606 /nfs/dbraw/zinc/10/36/06/1035103606.db2.gz QDHVZYBVAHOCGV-JXFKEZNVSA-N 1 0 383.442 3.893 20 30 GHEDRO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001232114730 1035103705 /nfs/dbraw/zinc/10/37/05/1035103705.db2.gz SSSOMDRYMIKEEL-LJQANCHMSA-N 1 0 394.906 3.587 20 30 GHEDRO C#CC[C@]1(C(=O)N(CCC(=O)c2ccc3ccccc3c2)C(C)C)CCC[NH2+]1 ZINC001161001951 1035117367 /nfs/dbraw/zinc/11/73/67/1035117367.db2.gz NYFJOTIGZZXKEL-XMMPIXPASA-N 1 0 376.500 3.795 20 30 GHEDRO CCN(C(=O)Nc1cnc(OC)c(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001209051624 1035158812 /nfs/dbraw/zinc/15/88/12/1035158812.db2.gz ORHCJHLUDUOQEG-JXFKEZNVSA-N 1 0 393.491 3.651 20 30 GHEDRO COC(=O)c1cccc(C[NH+]2CCC(Nc3nc(Cl)cc(C)c3C#N)CC2)c1 ZINC001161171276 1035166126 /nfs/dbraw/zinc/16/61/26/1035166126.db2.gz VKMJGQHLUSOKHP-UHFFFAOYSA-N 1 0 398.894 3.778 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](CCCC(C)(C)OC(C)=O)CC2 ZINC001209149113 1035193517 /nfs/dbraw/zinc/19/35/17/1035193517.db2.gz UBBGAMJNOOKETG-UHFFFAOYSA-N 1 0 380.529 3.609 20 30 GHEDRO CC(C)N(C(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC001161443213 1035232743 /nfs/dbraw/zinc/23/27/43/1035232743.db2.gz MYPHSDYSWRTLGS-CVDCTZTESA-N 1 0 390.531 3.503 20 30 GHEDRO Cc1ncc(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)n1 ZINC001161455630 1035234058 /nfs/dbraw/zinc/23/40/58/1035234058.db2.gz CRRARIPQFYKZHE-PKTZIBPZSA-N 1 0 383.499 3.549 20 30 GHEDRO COCCC1(CNc2nc3cc(F)c(F)cc3c(Cl)c2C#N)CC[NH2+]CC1 ZINC001161505182 1035244389 /nfs/dbraw/zinc/24/43/89/1035244389.db2.gz QFALSXJRAOQSQH-UHFFFAOYSA-N 1 0 394.853 3.856 20 30 GHEDRO C#C[C@](C)([NH3+])C(=O)N([C@H](C)c1ccccc1)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001161603654 1035270780 /nfs/dbraw/zinc/27/07/80/1035270780.db2.gz IEYMCIHDQZLTHX-ZZSVKSCCSA-N 1 0 376.500 3.675 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)N1CCCC1)CCO2 ZINC001209440335 1035274494 /nfs/dbraw/zinc/27/44/94/1035274494.db2.gz CMPDLAVYQFWLLV-RBBKRZOGSA-N 1 0 377.573 3.942 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CC[C@@H](N2CCOCC2)C[C@]1(C)C(=O)OC ZINC001209443149 1035275250 /nfs/dbraw/zinc/27/52/50/1035275250.db2.gz NARIVVURODFXJD-IFMALSPDSA-N 1 0 380.573 3.631 20 30 GHEDRO Cc1cc(Br)ccc1-c1noc(C[C@H]([NH3+])Cc2ccc(C#N)cc2)n1 ZINC001248156932 1035583887 /nfs/dbraw/zinc/58/38/87/1035583887.db2.gz RQENIHGBDKHJBG-MRXNPFEDSA-N 1 0 397.276 3.792 20 30 GHEDRO COc1ccc2c(cccc2-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)c1 ZINC001248158458 1035585432 /nfs/dbraw/zinc/58/54/32/1035585432.db2.gz WSTYFZYXIRBITH-GOSISDBHSA-N 1 0 384.439 3.883 20 30 GHEDRO COc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)c2ccccc12 ZINC001248159866 1035586561 /nfs/dbraw/zinc/58/65/61/1035586561.db2.gz VTZJEGPVNWIONN-KRWDZBQOSA-N 1 0 384.439 3.883 20 30 GHEDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)c(Br)c1 ZINC001248180118 1035608037 /nfs/dbraw/zinc/60/80/37/1035608037.db2.gz PZUASCFMKOMVQF-HNNXBMFYSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cccc3c(Cl)ccnc23)no1 ZINC001248181129 1035609606 /nfs/dbraw/zinc/60/96/06/1035609606.db2.gz QCDUIJDFWWVAIA-HNNXBMFYSA-N 1 0 389.846 3.922 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(C)cccc3Br)C2)C1=O ZINC001248604317 1035985028 /nfs/dbraw/zinc/98/50/28/1035985028.db2.gz MLPVSDXAMXXXEV-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001248749622 1036106105 /nfs/dbraw/zinc/10/61/05/1036106105.db2.gz FZDDBFCUWUCUPX-JOCHJYFZSA-N 1 0 377.488 3.718 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)Nc2ccc(OC)cc2)CC1 ZINC001248752924 1036110673 /nfs/dbraw/zinc/11/06/73/1036110673.db2.gz HSGHRJDYICUIRJ-UHFFFAOYSA-N 1 0 392.503 3.915 20 30 GHEDRO C[NH+](C)Cc1c[nH]c2ncc(-c3ccc(OC4CCOCC4)c(C#N)c3)cc12 ZINC001245306792 1036866288 /nfs/dbraw/zinc/86/62/88/1036866288.db2.gz IIBNDOXAVXCSLX-UHFFFAOYSA-N 1 0 376.460 3.721 20 30 GHEDRO CCCCCCCCCCCC[NH+]1CC2(C1)CCN(S(=O)(=O)N(C)C)C2 ZINC001278419942 1037045363 /nfs/dbraw/zinc/04/53/63/1037045363.db2.gz BLOAJSAFTLZMAC-UHFFFAOYSA-N 1 0 387.634 3.721 20 30 GHEDRO Cc1ccc(F)c(C[NH+]2CCC(NC(=S)Nc3ccc(C#N)cc3)CC2)c1 ZINC001245950169 1037075992 /nfs/dbraw/zinc/07/59/92/1037075992.db2.gz DIODVQXSGYWFQA-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO Cc1cc(F)ccc1C[NH+]1CCC(NC(=S)Nc2ccc(C#N)cc2)CC1 ZINC001245951684 1037077590 /nfs/dbraw/zinc/07/75/90/1037077590.db2.gz YVJQHUCPKVDRSB-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)c1 ZINC001245969323 1037094622 /nfs/dbraw/zinc/09/46/22/1037094622.db2.gz AGCFZLHSMOLFIZ-LEWJYISDSA-N 1 0 388.534 3.537 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN[C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246016138 1037135938 /nfs/dbraw/zinc/13/59/38/1037135938.db2.gz RVUBMNJZBWIVBO-LUKWVAJMSA-N 1 0 398.632 3.641 20 30 GHEDRO CCCCCCCCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001278436782 1037244897 /nfs/dbraw/zinc/24/48/97/1037244897.db2.gz VHCFKRJQXVILSY-UHFFFAOYSA-N 1 0 380.964 3.821 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246312257 1037290786 /nfs/dbraw/zinc/29/07/86/1037290786.db2.gz NEXUXIPXKKDYRE-QAPCUYQASA-N 1 0 385.335 3.667 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246526822 1037456717 /nfs/dbraw/zinc/45/67/17/1037456717.db2.gz RONXRXNMHMTKTC-MOPGFXCFSA-N 1 0 377.573 3.654 20 30 GHEDRO C[C@@]1(NC(=O)NCC2(C#N)CC2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001246616925 1037506716 /nfs/dbraw/zinc/50/67/16/1037506716.db2.gz BTFOVNCDTKYMQJ-JTHBVZDNSA-N 1 0 388.515 3.648 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)c(O)cc1O)[C@@H]2CC ZINC001232260460 1037981673 /nfs/dbraw/zinc/98/16/73/1037981673.db2.gz WMPNZXQASREYMT-QUCCMNQESA-N 1 0 378.900 3.673 20 30 GHEDRO Cc1cccc(F)c1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001232488612 1038265945 /nfs/dbraw/zinc/26/59/45/1038265945.db2.gz FZUOMRSMYHBNFY-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccc(Br)c1N)C2 ZINC001232523813 1038287991 /nfs/dbraw/zinc/28/79/91/1038287991.db2.gz VACWARZQFNQFKL-MJGOQNOKSA-N 1 0 395.341 3.605 20 30 GHEDRO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2ccc(Cl)cc2C#N)CC3)n1 ZINC001232607553 1038391211 /nfs/dbraw/zinc/39/12/11/1038391211.db2.gz PUNABEZVAZUXMH-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC001462264054 1070131111 /nfs/dbraw/zinc/13/11/11/1070131111.db2.gz VRXCRAYRGVTERN-XKQJLSEDSA-N 1 0 385.289 3.936 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(C)c(Br)cn1)CC2 ZINC001232905983 1038703061 /nfs/dbraw/zinc/70/30/61/1038703061.db2.gz WYIYDKNQZXMDLH-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c(C#N)c1 ZINC001232965446 1038739645 /nfs/dbraw/zinc/73/96/45/1038739645.db2.gz ZIGYJWVEULAKKW-JOCHJYFZSA-N 1 0 377.488 3.602 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(F)c(F)c3Br)CC2)C1=O ZINC001277749862 1038778993 /nfs/dbraw/zinc/77/89/93/1038778993.db2.gz CHQHCWKOONDEGU-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001233081649 1038852965 /nfs/dbraw/zinc/85/29/65/1038852965.db2.gz KGGKOPJMLPUNBD-YTFSRNRJSA-N 1 0 377.488 3.600 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001252127724 1038879303 /nfs/dbraw/zinc/87/93/03/1038879303.db2.gz DPHIYSDJAZBIPH-QNWVGRARSA-N 1 0 387.568 3.521 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001252129124 1038880120 /nfs/dbraw/zinc/88/01/20/1038880120.db2.gz WVSHLOZOAQCMSY-AABGKKOBSA-N 1 0 376.541 3.928 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CCCN2Cc2ccn(C)n2)CC1 ZINC001252129309 1038883534 /nfs/dbraw/zinc/88/35/34/1038883534.db2.gz ZFWJIYCCQXQCMV-QFIPXVFZSA-N 1 0 390.616 3.962 20 30 GHEDRO C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233103800 1038885308 /nfs/dbraw/zinc/88/53/08/1038885308.db2.gz MQZCVBIAMFNFOH-MRXNPFEDSA-N 1 0 384.474 3.781 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001252134052 1038885802 /nfs/dbraw/zinc/88/58/02/1038885802.db2.gz UMFFJMNPHLCEKW-TZIWHRDSSA-N 1 0 376.541 3.740 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(c2ccc(OC)cn2)CCOCC1 ZINC001252139176 1038888946 /nfs/dbraw/zinc/88/89/46/1038888946.db2.gz KJDFOLIAWWBCEY-LJQANCHMSA-N 1 0 378.557 3.840 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cncc(Br)c3C)CC2)C1=O ZINC001277768802 1038922061 /nfs/dbraw/zinc/92/20/61/1038922061.db2.gz CQDKYBQOYBDTEB-IBGZPJMESA-N 1 0 392.341 3.543 20 30 GHEDRO C[C@](O)(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323594 1038942811 /nfs/dbraw/zinc/94/28/11/1038942811.db2.gz YWAJHJHIZHXMTI-IRWQIABSSA-N 1 0 395.425 3.531 20 30 GHEDRO CCCC(CCC)[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339805 1038946622 /nfs/dbraw/zinc/94/66/22/1038946622.db2.gz KQWQDOUUKSNLFA-SFHVURJKSA-N 1 0 385.430 3.825 20 30 GHEDRO C=C[C@@](C)(O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001252552895 1039032384 /nfs/dbraw/zinc/03/23/84/1039032384.db2.gz NNWCPNLFXHZTDB-KSEOMHKRSA-N 1 0 382.529 3.508 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 ZINC001252593590 1039039575 /nfs/dbraw/zinc/03/95/75/1039039575.db2.gz KTHMVMUERJBAEV-FQEVSTJZSA-N 1 0 388.552 3.872 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC001252597433 1039041388 /nfs/dbraw/zinc/04/13/88/1039041388.db2.gz ZJKGEORMQQUMSA-AZUAARDMSA-N 1 0 382.548 3.503 20 30 GHEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001252602980 1039044226 /nfs/dbraw/zinc/04/42/26/1039044226.db2.gz YULVLQSCDKFRGW-DHIUTWEWSA-N 1 0 378.516 3.617 20 30 GHEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001252602982 1039045009 /nfs/dbraw/zinc/04/50/09/1039045009.db2.gz YULVLQSCDKFRGW-PKTZIBPZSA-N 1 0 378.516 3.617 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]CC(Cc1ccccc1)(Cc1ccccc1)C(=O)OC ZINC001252618862 1039051171 /nfs/dbraw/zinc/05/11/71/1039051171.db2.gz HJIXGPZWEVFVKN-QFIPXVFZSA-N 1 0 381.516 3.548 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(O)c1Cl)[C@H]2CC ZINC001233398636 1039236543 /nfs/dbraw/zinc/23/65/43/1039236543.db2.gz TWKYWRQNQSUQKX-UWJYYQICSA-N 1 0 392.927 3.976 20 30 GHEDRO CC[NH+](CC)C[C@H](O)CN1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253193757 1039470060 /nfs/dbraw/zinc/47/00/60/1039470060.db2.gz IUKHEJUSJLDETQ-RPWUZVMVSA-N 1 0 391.559 3.521 20 30 GHEDRO C=CCCCCCC[C@H](O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253236370 1039491258 /nfs/dbraw/zinc/49/12/58/1039491258.db2.gz SOWHITOXZJTWNU-IRLDBZIGSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001253241392 1039498070 /nfs/dbraw/zinc/49/80/70/1039498070.db2.gz VWPQLIWKYZCZFV-XUVXKRRUSA-N 1 0 396.572 3.584 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001253246897 1039501363 /nfs/dbraw/zinc/50/13/63/1039501363.db2.gz DIJMKKRIEBSXDE-DXIQSLLYSA-N 1 0 396.572 3.632 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001253254625 1039505985 /nfs/dbraw/zinc/50/59/85/1039505985.db2.gz DAYAWZIQKPTEEO-OAQYLSRUSA-N 1 0 376.516 3.907 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](C[C@H](O)CCOCc2ccccc2)CC1 ZINC001253276421 1039522725 /nfs/dbraw/zinc/52/27/25/1039522725.db2.gz JVDVFSTWYANDME-HXUWFJFHSA-N 1 0 382.479 3.651 20 30 GHEDRO COC(=O)C1=C[C@H](Oc2ccc(Cl)c(C#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC001233923439 1039708488 /nfs/dbraw/zinc/70/84/88/1039708488.db2.gz JTRHTRURFUJWFK-IBGZPJMESA-N 1 0 382.847 3.574 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610660 1039719506 /nfs/dbraw/zinc/71/95/06/1039719506.db2.gz VHGLYPBVJVLJRW-MOPGFXCFSA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC(C)(C)O ZINC001253614115 1039723301 /nfs/dbraw/zinc/72/33/01/1039723301.db2.gz JNTNQZQBGSJNAQ-HXUWFJFHSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H]1C[C@H](O)C1 ZINC001253615072 1039724838 /nfs/dbraw/zinc/72/48/38/1039724838.db2.gz ZWCMUANILRKPHQ-FKBYEOEOSA-N 1 0 387.605 3.662 20 30 GHEDRO C=CCC[N@H+](Cc1ccccc1)C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253871694 1039872103 /nfs/dbraw/zinc/87/21/03/1039872103.db2.gz WKTIYAXQEZTPTR-FCHUYYIVSA-N 1 0 398.457 3.585 20 30 GHEDRO Cc1cc(Br)sc1C[N@@H+]1CC[C@@]2(CCN(CCCC#N)C2=O)C1 ZINC001277840315 1039928719 /nfs/dbraw/zinc/92/87/19/1039928719.db2.gz CRJFAABQBMSZGN-QGZVFWFLSA-N 1 0 396.354 3.547 20 30 GHEDRO C=CCOC(=O)c1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001254041967 1039971639 /nfs/dbraw/zinc/97/16/39/1039971639.db2.gz NAFQUFYMBJFRJB-UHFFFAOYSA-N 1 0 398.478 3.608 20 30 GHEDRO CCOC(=O)[C@H]1CSCCN1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359680 1040191134 /nfs/dbraw/zinc/19/11/34/1040191134.db2.gz NNPMJVRNNQNMCI-QPIRBTGLSA-N 1 0 376.497 3.510 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC001254473267 1040259000 /nfs/dbraw/zinc/25/90/00/1040259000.db2.gz GOZHKPCZIWAEQV-PGRDOPGGSA-N 1 0 376.504 3.844 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001254550320 1040316844 /nfs/dbraw/zinc/31/68/44/1040316844.db2.gz HQHOBKPGQMOJEZ-DYESRHJHSA-N 1 0 387.480 3.636 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1Cc2cccc(C#N)c2C1 ZINC001277893510 1040332852 /nfs/dbraw/zinc/33/28/52/1040332852.db2.gz IJKBFOGQCORUQN-SFHVURJKSA-N 1 0 389.499 3.967 20 30 GHEDRO CC(C)c1c(C#N)cccc1O[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001234854666 1040370780 /nfs/dbraw/zinc/37/07/80/1040370780.db2.gz PWVSLOXTFFZMJO-ZWKOTPCHSA-N 1 0 385.508 3.754 20 30 GHEDRO CCOC(OCC)c1ccc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1 ZINC001234893054 1040406044 /nfs/dbraw/zinc/40/60/44/1040406044.db2.gz WRRYILFLQNPIFG-UHFFFAOYSA-N 1 0 394.519 3.737 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(Cc2ccccn2)([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254648943 1040418342 /nfs/dbraw/zinc/41/83/42/1040418342.db2.gz PHEOSQZWQZIUJI-QZTJIDSGSA-N 1 0 384.524 3.676 20 30 GHEDRO C=CCc1c(OC2CC[NH+](CC)CC2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234903226 1040418727 /nfs/dbraw/zinc/41/87/27/1040418727.db2.gz KNWVSWRHPSNZLV-UHFFFAOYSA-N 1 0 389.499 3.977 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(Br)c3)CC2)C1 ZINC001254656310 1040423025 /nfs/dbraw/zinc/42/30/25/1040423025.db2.gz JHDNUIVKOZMMKR-BNEJOLLZSA-N 1 0 390.325 3.772 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(Br)c3)CC2)C1 ZINC001254656311 1040423278 /nfs/dbraw/zinc/42/32/78/1040423278.db2.gz JHDNUIVKOZMMKR-MGHWNKPDSA-N 1 0 390.325 3.772 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)C1 ZINC001254663911 1040426897 /nfs/dbraw/zinc/42/68/97/1040426897.db2.gz DYAPWQXERHERBU-RTBURBONSA-N 1 0 375.516 3.636 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(-c3nnc(C)o3)cc1)CCO2 ZINC001235049274 1040541817 /nfs/dbraw/zinc/54/18/17/1040541817.db2.gz PDKNABWBRUBIDJ-RBBKRZOGSA-N 1 0 383.492 3.619 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(N4CCCC4)c3)C2)C1 ZINC001235090653 1040579952 /nfs/dbraw/zinc/57/99/52/1040579952.db2.gz WYVLOQZLQWBEMU-QHCPKHFHSA-N 1 0 383.536 3.897 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC001255112196 1040796156 /nfs/dbraw/zinc/79/61/56/1040796156.db2.gz ZAOYLNJVTTYCPS-JOCHJYFZSA-N 1 0 397.563 3.762 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4C[C@H]3C[NH2+]4)c2)cc1 ZINC001235414512 1040921973 /nfs/dbraw/zinc/92/19/73/1040921973.db2.gz QSBDZWLETFNXDM-HOTGVXAUSA-N 1 0 384.277 3.659 20 30 GHEDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001255355139 1040958487 /nfs/dbraw/zinc/95/84/87/1040958487.db2.gz YUAMQKMZFFOBIY-DLVCFXQMSA-N 1 0 395.503 3.816 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001235517143 1040972459 /nfs/dbraw/zinc/97/24/59/1040972459.db2.gz JLKUWDXTIFQPID-RPWUZVMVSA-N 1 0 391.515 3.736 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255386217 1040975003 /nfs/dbraw/zinc/97/50/03/1040975003.db2.gz LAPVUVUMKNILOD-ZEQRLZLVSA-N 1 0 392.543 3.971 20 30 GHEDRO COCC[N@H+](Cc1ccccc1CC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001235525132 1040975694 /nfs/dbraw/zinc/97/56/94/1040975694.db2.gz JUGPKZKBTDVJAO-FQEVSTJZSA-N 1 0 387.524 3.601 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255400727 1040986943 /nfs/dbraw/zinc/98/69/43/1040986943.db2.gz NFBZXUQQJNDPMF-UPVQGACJSA-N 1 0 381.564 3.542 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255405278 1040993262 /nfs/dbraw/zinc/99/32/62/1040993262.db2.gz YLRFRKDHKXOKPA-NRFANRHFSA-N 1 0 394.563 3.536 20 30 GHEDRO C#CCOc1ccc(CN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)cc1 ZINC001235794306 1041292664 /nfs/dbraw/zinc/29/26/64/1041292664.db2.gz UVUAUDLNGNKRAW-HXUWFJFHSA-N 1 0 385.305 3.608 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(Br)c(C)c1)CC2 ZINC001235828651 1041347050 /nfs/dbraw/zinc/34/70/50/1041347050.db2.gz QUGJGDNUYAPWKL-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2c(F)cc(C#N)cc2F)C1 ZINC001236155233 1041579161 /nfs/dbraw/zinc/57/91/61/1041579161.db2.gz ZEWXFCUZXLSMKH-MRXNPFEDSA-N 1 0 381.543 3.703 20 30 GHEDRO C=CCN(CCN(Cc1ccccc1Cl)C1CC[NH2+]CC1)C(=O)OCC ZINC001236449873 1041717863 /nfs/dbraw/zinc/71/78/63/1041717863.db2.gz CRQJNCFUXRGMNM-UHFFFAOYSA-N 1 0 379.932 3.539 20 30 GHEDRO C[C@H](Cc1ccccn1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001256413925 1041723208 /nfs/dbraw/zinc/72/32/08/1041723208.db2.gz CREBOGJOEIYCQA-HYBUGGRVSA-N 1 0 390.531 3.503 20 30 GHEDRO N#Cc1cccc(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)c1F ZINC001236499323 1041741150 /nfs/dbraw/zinc/74/11/50/1041741150.db2.gz MGQDYTDUMPSIDY-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO N#Cc1c(F)cc(CN(Cc2ccc(F)cc2F)C2CC[NH2+]CC2)cc1F ZINC001236507366 1041746059 /nfs/dbraw/zinc/74/60/59/1041746059.db2.gz WVDYWEHDADQOPL-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO COc1ccc(CN(Cc2cc(C#N)c(F)cc2F)C2CC[NH2+]CC2)cc1F ZINC001236518920 1041751394 /nfs/dbraw/zinc/75/13/94/1041751394.db2.gz YOCGGGXECNYZSU-UHFFFAOYSA-N 1 0 389.421 3.738 20 30 GHEDRO N#CCCCN1CC[C@]2(CCCN2Cc2c(O)ccc(Cl)c2Cl)C1=O ZINC001277992194 1041798583 /nfs/dbraw/zinc/79/85/83/1041798583.db2.gz FAAHMUOBSIEKMB-GOSISDBHSA-N 1 0 382.291 3.570 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(O)cc1OC(F)(F)F)CC2 ZINC001236723670 1041857594 /nfs/dbraw/zinc/85/75/94/1041857594.db2.gz JYMGGKCCYOWJHM-IBGZPJMESA-N 1 0 398.425 3.824 20 30 GHEDRO CC(C)N1CCC2(CC[NH+](Cc3ccc(C#N)c(Br)c3)CC2)C1=O ZINC001236861548 1041932498 /nfs/dbraw/zinc/93/24/98/1041932498.db2.gz UEBFEUQQKLHYQG-UHFFFAOYSA-N 1 0 390.325 3.544 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3Cl)C2)C1=O ZINC001236916028 1041956270 /nfs/dbraw/zinc/95/62/70/1041956270.db2.gz IGSVVIADSKXCHF-NRFANRHFSA-N 1 0 384.911 3.526 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1sc(=O)[nH]c1Cl)CC2 ZINC001237160120 1042071820 /nfs/dbraw/zinc/07/18/20/1042071820.db2.gz GTAOLABVOURIDU-UHFFFAOYSA-N 1 0 385.917 3.503 20 30 GHEDRO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC001237468922 1042221299 /nfs/dbraw/zinc/22/12/99/1042221299.db2.gz NDQIFBFZQDTUKL-LEWJYISDSA-N 1 0 381.451 3.826 20 30 GHEDRO Cn1cc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c2cc(C#N)ccc21 ZINC001237469764 1042222273 /nfs/dbraw/zinc/22/22/73/1042222273.db2.gz BHNKAIXYUTWJAK-UHFFFAOYSA-N 1 0 381.483 3.920 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c2cc(C#N)ccc21 ZINC001237471045 1042222618 /nfs/dbraw/zinc/22/26/18/1042222618.db2.gz MZJXBJJUJDMPCN-CYBMUJFWSA-N 1 0 389.381 3.831 20 30 GHEDRO CO[C@H](C[NH+]1CCN(Cc2cn(C)c3ccc(C#N)cc23)CC1)c1ccccc1 ZINC001237472428 1042223646 /nfs/dbraw/zinc/22/36/46/1042223646.db2.gz HTNDMDRVHKRVBF-XMMPIXPASA-N 1 0 388.515 3.555 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237472676 1042223990 /nfs/dbraw/zinc/22/39/90/1042223990.db2.gz RBWFMYYQDUAFDT-JOCHJYFZSA-N 1 0 382.508 3.787 20 30 GHEDRO CCOC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001237481206 1042227310 /nfs/dbraw/zinc/22/73/10/1042227310.db2.gz OXEWZZORGPPGPF-QFIPXVFZSA-N 1 0 378.472 3.707 20 30 GHEDRO CCOC(=O)Cc1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001237482108 1042228110 /nfs/dbraw/zinc/22/81/10/1042228110.db2.gz SGRXWJVEORUEPN-UHFFFAOYSA-N 1 0 378.472 3.707 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CCN(Cc3cc(C#N)c(F)cc3F)C[C@H]2C1 ZINC001237524473 1042249686 /nfs/dbraw/zinc/24/96/86/1042249686.db2.gz IYRDUPIKJUFFSP-CJNGLKHVSA-N 1 0 377.435 3.525 20 30 GHEDRO CC[N@@H+](Cc1cc(C#N)c(F)cc1F)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237535621 1042254681 /nfs/dbraw/zinc/25/46/81/1042254681.db2.gz BDHJJKVJWQJVCG-AWEZNQCLSA-N 1 0 379.451 3.915 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnc(OC(F)F)c1)[C@H]2CC ZINC001237608836 1042279460 /nfs/dbraw/zinc/27/94/60/1042279460.db2.gz MOHXYAFXMCDHPA-JXFKEZNVSA-N 1 0 379.451 3.605 20 30 GHEDRO CCC[N@@H+](Cc1cn2cc(C#N)ccc2n1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237612417 1042281972 /nfs/dbraw/zinc/28/19/72/1042281972.db2.gz XZZQMPBYSYMZJH-GOSISDBHSA-N 1 0 397.523 3.675 20 30 GHEDRO CCCN(Cc1cn2cc(C#N)ccc2n1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001237616691 1042283304 /nfs/dbraw/zinc/28/33/04/1042283304.db2.gz FHVCYLAHFBERDY-KRWDZBQOSA-N 1 0 375.476 3.754 20 30 GHEDRO COc1ccc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001237708193 1042335990 /nfs/dbraw/zinc/33/59/90/1042335990.db2.gz NDNAJDMABKFFGH-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)C1 ZINC001237748194 1042352418 /nfs/dbraw/zinc/35/24/18/1042352418.db2.gz HJYHWCVAEAVVMP-MRXNPFEDSA-N 1 0 375.900 3.900 20 30 GHEDRO CCc1ncc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)s1 ZINC001237826878 1042388988 /nfs/dbraw/zinc/38/89/88/1042388988.db2.gz VPEHGOFCKIBASE-QFIPXVFZSA-N 1 0 396.560 3.696 20 30 GHEDRO CC(C)C1=[NH+]CCc2ccc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 ZINC001237880152 1042407496 /nfs/dbraw/zinc/40/74/96/1042407496.db2.gz DDLAAXWIDLIJPZ-LJQANCHMSA-N 1 0 396.535 3.633 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccccc3C3CCOCC3)CC2)nc1 ZINC001237907576 1042418580 /nfs/dbraw/zinc/41/85/80/1042418580.db2.gz ZCCHDOQELGHAMY-UHFFFAOYSA-N 1 0 376.504 3.560 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC001238081522 1042484385 /nfs/dbraw/zinc/48/43/85/1042484385.db2.gz ARHRUDJXZPNCIP-URVUXULASA-N 1 0 397.954 3.782 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccc(C#N)cc4Cl)CC[N@@H+]3C2)cc1 ZINC001238081493 1042484873 /nfs/dbraw/zinc/48/48/73/1042484873.db2.gz BLLWWYPILDOSPJ-PZJWPPBQSA-N 1 0 381.907 3.858 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC001238082135 1042485477 /nfs/dbraw/zinc/48/54/77/1042485477.db2.gz HPWLQBHQFWOTSH-ZJOUEHCJSA-N 1 0 394.906 3.753 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c(Cl)c1 ZINC001238084886 1042486358 /nfs/dbraw/zinc/48/63/58/1042486358.db2.gz WMMZPHSDAJJFTH-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO COc1ccccc1C(=O)NC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC001238085047 1042486381 /nfs/dbraw/zinc/48/63/81/1042486381.db2.gz VAAIVPZOVOYLBP-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ncc(C)c(OC)c3C)C2)CC1 ZINC001238172080 1042508336 /nfs/dbraw/zinc/50/83/36/1042508336.db2.gz HCOFXHGIFYYBFC-UHFFFAOYSA-N 1 0 387.524 3.708 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@H]12 ZINC001238195747 1042516036 /nfs/dbraw/zinc/51/60/36/1042516036.db2.gz KXEOJPHRZFPHNX-UWWQBHOKSA-N 1 0 375.900 3.947 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3cncc(OCc4ccccc4)c3)CC2)nc1 ZINC001238369613 1042572553 /nfs/dbraw/zinc/57/25/53/1042572553.db2.gz NDAKELRRELBCDE-UHFFFAOYSA-N 1 0 399.498 3.640 20 30 GHEDRO COc1cc(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)ccc1C#N ZINC001238405249 1042586202 /nfs/dbraw/zinc/58/62/02/1042586202.db2.gz CMEAPWYQFPLWAH-UHFFFAOYSA-N 1 0 376.485 3.686 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(-c3ccncc3)ccc1OC)CC2 ZINC001238602625 1042654833 /nfs/dbraw/zinc/65/48/33/1042654833.db2.gz BNBWKAHESAPWQR-UHFFFAOYSA-N 1 0 391.515 3.900 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)ccc1C#N ZINC001238760668 1042717408 /nfs/dbraw/zinc/71/74/08/1042717408.db2.gz NMTGCMIOXOOGDU-LADGPHEKSA-N 1 0 391.515 3.966 20 30 GHEDRO CCc1cc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1C#N ZINC001238762263 1042718468 /nfs/dbraw/zinc/71/84/68/1042718468.db2.gz IXBKOGYVIXIIGX-FYYLOGMGSA-N 1 0 379.479 3.597 20 30 GHEDRO COc1cc(C)c(C)cc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001238764279 1042719340 /nfs/dbraw/zinc/71/93/40/1042719340.db2.gz SYTBPXSHZMYDKP-DEOSSOPVSA-N 1 0 389.499 3.813 20 30 GHEDRO CCc1cc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)ccc1C#N ZINC001238771470 1042721704 /nfs/dbraw/zinc/72/17/04/1042721704.db2.gz FTENQRDXZKYBKP-UHFFFAOYSA-N 1 0 383.499 3.900 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1OCc1ccccc1)C2 ZINC001238772836 1042722375 /nfs/dbraw/zinc/72/23/75/1042722375.db2.gz JZQNSNQQZQSQEF-UPVQGACJSA-N 1 0 394.515 3.987 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001239048904 1042762209 /nfs/dbraw/zinc/76/22/09/1042762209.db2.gz BMLJGBSJUHMJFM-HOTGVXAUSA-N 1 0 384.508 3.541 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N(Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC001239143556 1042772177 /nfs/dbraw/zinc/77/21/77/1042772177.db2.gz HEECVKDEQWXKNM-HXUWFJFHSA-N 1 0 381.586 3.716 20 30 GHEDRO N#Cc1cc(NC(=O)Nc2ccc3sccc3c2)ccc1N1CC[NH2+]CC1 ZINC001239190264 1042782764 /nfs/dbraw/zinc/78/27/64/1042782764.db2.gz IOZBFYAHYUPGEE-UHFFFAOYSA-N 1 0 377.473 3.827 20 30 GHEDRO O=C(NC[C@@H]1C[NH2+]CC[C@H]1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239228499 1042790930 /nfs/dbraw/zinc/79/09/30/1042790930.db2.gz XZUGTKKMOPVSAR-QPUJVOFHSA-N 1 0 387.299 3.793 20 30 GHEDRO C=CCCCNC(=S)Nc1sc2c(c1C(=O)OC(C)(C)C)CC[NH2+]C2 ZINC001239341966 1042810723 /nfs/dbraw/zinc/81/07/23/1042810723.db2.gz PRNLRHIFMVOLSZ-UHFFFAOYSA-N 1 0 381.567 3.602 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C#N)cc1)CC21CC[NH2+]CC1 ZINC001239364384 1042813759 /nfs/dbraw/zinc/81/37/59/1042813759.db2.gz ZZDQKWFBWVTJTJ-FQEVSTJZSA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1C(F)(F)F ZINC001239417432 1042824764 /nfs/dbraw/zinc/82/47/64/1042824764.db2.gz UIAOOTVWLPWULF-QGZVFWFLSA-N 1 0 390.434 3.920 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001239435763 1042829389 /nfs/dbraw/zinc/82/93/89/1042829389.db2.gz ZQNNWNXSZWOYGG-DENIHFKCSA-N 1 0 376.529 3.508 20 30 GHEDRO CN(Cc1ccccc1)c1ccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cn1 ZINC001239660693 1042842932 /nfs/dbraw/zinc/84/29/32/1042842932.db2.gz MNINVBQUNDEJNZ-UHFFFAOYSA-N 1 0 383.499 3.666 20 30 GHEDRO Cc1nc(C#Cc2ccnc(-c3cncc(C[NH3+])c3)c2)c(C)n1-c1ccc(F)cc1 ZINC001239786283 1042850896 /nfs/dbraw/zinc/85/08/96/1042850896.db2.gz HGWBVMBWUGLBMO-UHFFFAOYSA-N 1 0 397.457 3.944 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-c3cccc(CN4CC[NH+](C)CC4)c3)nn2)cc1 ZINC001240280604 1042917691 /nfs/dbraw/zinc/91/76/91/1042917691.db2.gz LMWHNDVTMSSDIG-HSZRJFAPSA-N 1 0 397.526 3.855 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-c3cccc(CN4CC[NH+](C)CC4)c3)nn2)cc1 ZINC001240280605 1042917743 /nfs/dbraw/zinc/91/77/43/1042917743.db2.gz LMWHNDVTMSSDIG-QHCPKHFHSA-N 1 0 397.526 3.855 20 30 GHEDRO N#Cc1cc(-c2cnc(F)cc2C(=O)OCc2ccccc2)cc(C2C[NH2+]C2)c1 ZINC001240361450 1042923124 /nfs/dbraw/zinc/92/31/24/1042923124.db2.gz XGFVYNWAHGJUKP-UHFFFAOYSA-N 1 0 387.414 3.803 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)cc1 ZINC001292107116 1043594526 /nfs/dbraw/zinc/59/45/26/1043594526.db2.gz DPDHOEIEVGHAGA-QFUCXCTJSA-N 1 0 381.520 3.560 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H]1C)[NH+]1CCCC1 ZINC001292186002 1043618901 /nfs/dbraw/zinc/61/89/01/1043618901.db2.gz SNSDCGDQFFLNFH-DBXWQHBBSA-N 1 0 392.551 3.926 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CCN([C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC001256911723 1043737037 /nfs/dbraw/zinc/73/70/37/1043737037.db2.gz SWLKJZVTJFKCGZ-OAQYLSRUSA-N 1 0 389.584 3.894 20 30 GHEDRO C=C(C)C(=O)OCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC001256933967 1043759601 /nfs/dbraw/zinc/75/96/01/1043759601.db2.gz DYUGILJJFCTMDD-OALUTQOASA-N 1 0 388.508 3.836 20 30 GHEDRO Cn1nc(-c2ccc(C[NH3+])cc2)cc(N(C2CCC(C#N)CC2)C(C)(C)C)c1=O ZINC001256963067 1043774691 /nfs/dbraw/zinc/77/46/91/1043774691.db2.gz ADCAMHZASFGHOB-UHFFFAOYSA-N 1 0 393.535 3.593 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCO1 ZINC001257016367 1043801268 /nfs/dbraw/zinc/80/12/68/1043801268.db2.gz BIBGOSOXWZPMGH-CBNMVNINSA-N 1 0 399.535 3.810 20 30 GHEDRO COc1cc(C)nc(O[C@H]2CC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)n1 ZINC001257023111 1043806537 /nfs/dbraw/zinc/80/65/37/1043806537.db2.gz VRVKPHGHMDEBPY-CBNMVNINSA-N 1 0 392.503 3.845 20 30 GHEDRO C=CCOCc1nn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](CC)C2)c2c1C[NH2+]C2 ZINC001257128007 1043874650 /nfs/dbraw/zinc/87/46/50/1043874650.db2.gz ATHKWXUTAWBITI-HZPDHXFCSA-N 1 0 390.528 3.540 20 30 GHEDRO CC[C@H]1C[C@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257142201 1043892442 /nfs/dbraw/zinc/89/24/42/1043892442.db2.gz KZQGQFBFIOGFED-PZJWPPBQSA-N 1 0 398.551 3.858 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](C)Cc1ccc(C(=O)OCC)cc1)C2 ZINC001257162499 1043909096 /nfs/dbraw/zinc/90/90/96/1043909096.db2.gz ZWGCKSBGEKVADY-NTKDMRAZSA-N 1 0 398.547 3.827 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1)C(C)C ZINC001292958973 1043966335 /nfs/dbraw/zinc/96/63/35/1043966335.db2.gz RTASHVXAOYLQRF-VXKWHMMOSA-N 1 0 383.536 3.611 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+]Cc1ncc(C#N)s1)C2 ZINC001257809000 1044190980 /nfs/dbraw/zinc/19/09/80/1044190980.db2.gz YNTFJPLLUGHQGN-LIRRHRJNSA-N 1 0 376.526 3.674 20 30 GHEDRO C=C1C[C@@H]2CC(N3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4C(C)C)C3)C[C@H](C1)C2 ZINC001257890874 1044246094 /nfs/dbraw/zinc/24/60/94/1044246094.db2.gz BXWZGAGLXBICOD-JPKNMIGISA-N 1 0 383.584 3.586 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CCN(S(=O)(=O)C5CC5)CC4)CC3)C[C@H](C1)C2 ZINC001257894552 1044248695 /nfs/dbraw/zinc/24/86/95/1044248695.db2.gz ZOGCVFVWZRUYEF-YOFSQIOKSA-N 1 0 392.609 3.792 20 30 GHEDRO CCOC(=O)CC1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001258026800 1044352067 /nfs/dbraw/zinc/35/20/67/1044352067.db2.gz PGIUQRJSGLOJIT-UHFFFAOYSA-N 1 0 383.536 3.624 20 30 GHEDRO N#Cc1cc(C(=O)N2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)ccc1Cl ZINC001279076796 1044414831 /nfs/dbraw/zinc/41/48/31/1044414831.db2.gz LGFOJVATDSIXLN-UHFFFAOYSA-N 1 0 385.817 3.702 20 30 GHEDRO CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[N@H+](CCC)C1 ZINC001294181752 1044511289 /nfs/dbraw/zinc/51/12/89/1044511289.db2.gz OFNDEQZROKZVPZ-IBGZPJMESA-N 1 0 380.540 3.785 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCN(c3cccc(F)c3)CC1)CCO2 ZINC001258424106 1044558626 /nfs/dbraw/zinc/55/86/26/1044558626.db2.gz VEBAVUSIJNYESY-WMZHIEFXSA-N 1 0 388.527 3.868 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC001258566127 1044645626 /nfs/dbraw/zinc/64/56/26/1044645626.db2.gz ATIZRBBDSSANQX-IAGOWNOFSA-N 1 0 395.544 3.541 20 30 GHEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577776 1044652960 /nfs/dbraw/zinc/65/29/60/1044652960.db2.gz GPLPPFYGNXUMLP-OAQYLSRUSA-N 1 0 386.499 3.768 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](C3CCN(C(=O)c4ccccc4)CC3)C2)c1 ZINC001258647652 1044688084 /nfs/dbraw/zinc/68/80/84/1044688084.db2.gz WRIAMJCJUOJHEY-QHCPKHFHSA-N 1 0 389.499 3.706 20 30 GHEDRO CCC[NH+](CCC)CCCn1c(-c2ccc[nH]2)nnc1N1CCC(C#N)CC1 ZINC001294573292 1044710634 /nfs/dbraw/zinc/71/06/34/1044710634.db2.gz XNWKDYLIQGJHAP-UHFFFAOYSA-N 1 0 383.544 3.525 20 30 GHEDRO C=CCC[C@@H](C)[NH+]1CCC(c2cc3c(ncn3C)c(-c3cnn(C)c3)n2)CC1 ZINC001258728682 1044734585 /nfs/dbraw/zinc/73/45/85/1044734585.db2.gz PSICLAXTEUWOJK-MRXNPFEDSA-N 1 0 378.524 3.903 20 30 GHEDRO C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)OC)cc1 ZINC001258725029 1044734639 /nfs/dbraw/zinc/73/46/39/1044734639.db2.gz DYWPKDGMKNPHSR-QAPCUYQASA-N 1 0 376.497 3.983 20 30 GHEDRO C=CCC[C@H](C)N(CC1CC1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001258729084 1044735609 /nfs/dbraw/zinc/73/56/09/1044735609.db2.gz SKCSWZDWYFHFCJ-SFHVURJKSA-N 1 0 396.579 3.577 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CC)C(C)C)C1 ZINC001294647230 1044744888 /nfs/dbraw/zinc/74/48/88/1044744888.db2.gz DSHCAPAUYCZBQX-IBGZPJMESA-N 1 0 380.540 3.783 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CC2)CC1 ZINC001294676860 1044760449 /nfs/dbraw/zinc/76/04/49/1044760449.db2.gz GSGZJPKKNWKFCV-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCC1)C1CC1 ZINC001295165969 1044936489 /nfs/dbraw/zinc/93/64/89/1044936489.db2.gz WRTZXUBWMYQPKQ-UHFFFAOYSA-N 1 0 378.524 3.680 20 30 GHEDRO CC[NH+](CC)[C@@H](C)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1C(C)(C)C ZINC001295391918 1044996777 /nfs/dbraw/zinc/99/67/77/1044996777.db2.gz ZQMTZQBDFTZPFI-KRWDZBQOSA-N 1 0 382.556 3.814 20 30 GHEDRO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001295431852 1045008247 /nfs/dbraw/zinc/00/82/47/1045008247.db2.gz QJGIDZHKGYJVNO-UHFFFAOYSA-N 1 0 380.540 3.927 20 30 GHEDRO CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001296040842 1045230649 /nfs/dbraw/zinc/23/06/49/1045230649.db2.gz ZMIUYPLZRPPCQK-FQEVSTJZSA-N 1 0 392.551 3.785 20 30 GHEDRO C#CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001296579938 1045340488 /nfs/dbraw/zinc/34/04/88/1045340488.db2.gz CYANFQPIEZJVDY-UHFFFAOYSA-N 1 0 397.906 3.503 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(C#N)sc3ccccc32)C1 ZINC001462904377 1070646130 /nfs/dbraw/zinc/64/61/30/1070646130.db2.gz AOURLBDEZASLII-CQSZACIVSA-N 1 0 391.562 3.562 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001297373056 1045505133 /nfs/dbraw/zinc/50/51/33/1045505133.db2.gz MEUBCNHLINHFFR-CQSZACIVSA-N 1 0 385.321 3.733 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001297377877 1045506318 /nfs/dbraw/zinc/50/63/18/1045506318.db2.gz CFZZAETVLOPMOQ-UHFFFAOYSA-N 1 0 381.307 3.759 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C#N)CC1)C1CCCCC1 ZINC001298030951 1045681643 /nfs/dbraw/zinc/68/16/43/1045681643.db2.gz TZNJMAZESSNXEC-FQEVSTJZSA-N 1 0 395.555 3.524 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)s1 ZINC001298545089 1045865866 /nfs/dbraw/zinc/86/58/66/1045865866.db2.gz LIVWJWTYCAXDPF-UHFFFAOYSA-N 1 0 383.477 3.730 20 30 GHEDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C[N@@H+]2C1 ZINC001298803021 1045952037 /nfs/dbraw/zinc/95/20/37/1045952037.db2.gz IMEQSBUGSLIAIA-JTDSTZFVSA-N 1 0 376.460 3.804 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300907694 1046235011 /nfs/dbraw/zinc/23/50/11/1046235011.db2.gz OVZQGANTKRVHDI-UHFFFAOYSA-N 1 0 382.556 3.865 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001300909076 1046235673 /nfs/dbraw/zinc/23/56/73/1046235673.db2.gz JPZQXFZRIAPNFF-FQEVSTJZSA-N 1 0 382.556 3.863 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001301033210 1046297386 /nfs/dbraw/zinc/29/73/86/1046297386.db2.gz AKXDQGNSPWPWJP-UHFFFAOYSA-N 1 0 388.947 3.649 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001301047228 1046307063 /nfs/dbraw/zinc/30/70/63/1046307063.db2.gz CUXQBJCGYFECOF-UHFFFAOYSA-N 1 0 393.988 3.994 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001301085983 1046328793 /nfs/dbraw/zinc/32/87/93/1046328793.db2.gz RRJMGTKMHOUJNF-VQTJNVASSA-N 1 0 387.572 3.941 20 30 GHEDRO C=C1CCN(c2nnc(C3CCCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001301086177 1046328848 /nfs/dbraw/zinc/32/88/48/1046328848.db2.gz UDJLBFZHNPQOOK-LJQANCHMSA-N 1 0 387.572 3.593 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001301085702 1046329027 /nfs/dbraw/zinc/32/90/27/1046329027.db2.gz PFROQFRXBICIDS-VQTJNVASSA-N 1 0 387.572 3.798 20 30 GHEDRO C=CCCCCn1c(C2CCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301186610 1046392136 /nfs/dbraw/zinc/39/21/36/1046392136.db2.gz DOTKHQLQJVTFQN-SFHVURJKSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001301283385 1046452790 /nfs/dbraw/zinc/45/27/90/1046452790.db2.gz XFGHASNNBOYTBD-SFHVURJKSA-N 1 0 399.539 3.662 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001301283206 1046452913 /nfs/dbraw/zinc/45/29/13/1046452913.db2.gz SINUTRTWMKNKRO-JPYJTQIMSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCN(C)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001301297906 1046462443 /nfs/dbraw/zinc/46/24/43/1046462443.db2.gz WDBLDDYJUGMCJL-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccncc2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001301302369 1046463505 /nfs/dbraw/zinc/46/35/05/1046463505.db2.gz AJDHDKKXDSUMAH-IBGZPJMESA-N 1 0 382.556 3.541 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1CC1([NH+](C)C)CCC1 ZINC001301337628 1046500065 /nfs/dbraw/zinc/50/00/65/1046500065.db2.gz JIOFMMUYNSPRAU-UHFFFAOYSA-N 1 0 395.551 3.841 20 30 GHEDRO C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC[N@@H+](C)C(C)C ZINC001301351112 1046506224 /nfs/dbraw/zinc/50/62/24/1046506224.db2.gz JONXHMDIQZBSKG-UHFFFAOYSA-N 1 0 396.514 3.945 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CCS[C@H](C(C)C)C1)C(C)C ZINC001301366426 1046511397 /nfs/dbraw/zinc/51/13/97/1046511397.db2.gz CAIXXTIJDPXJJA-PMACEKPBSA-N 1 0 391.629 3.863 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001301384227 1046519490 /nfs/dbraw/zinc/51/94/90/1046519490.db2.gz NGFNUHNDIJVYBG-QFIPXVFZSA-N 1 0 397.592 3.869 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001301384504 1046519724 /nfs/dbraw/zinc/51/97/24/1046519724.db2.gz QIUASCYAOVVNTP-HXUWFJFHSA-N 1 0 390.535 3.727 20 30 GHEDRO C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001301608838 1046622821 /nfs/dbraw/zinc/62/28/21/1046622821.db2.gz ANCUMPAWTZSTCS-GOSISDBHSA-N 1 0 375.586 3.529 20 30 GHEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C)[NH+]1CCCC1 ZINC001302514414 1046960067 /nfs/dbraw/zinc/96/00/67/1046960067.db2.gz QAOUJBCGORINPD-GHTZIAJQSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)C1 ZINC001302730338 1047072744 /nfs/dbraw/zinc/07/27/44/1047072744.db2.gz WWTQVFACGIOZTC-NRFANRHFSA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C2CCCC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001303637091 1047461351 /nfs/dbraw/zinc/46/13/51/1047461351.db2.gz UCUFLQVFEQCEQM-KRWDZBQOSA-N 1 0 398.530 3.945 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C1CCC1)[NH+](C)C ZINC001303695804 1047483656 /nfs/dbraw/zinc/48/36/56/1047483656.db2.gz KRNZLZXTRQXDPT-OXQOHEQNSA-N 1 0 378.524 3.536 20 30 GHEDRO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCC1 ZINC001303751203 1047504359 /nfs/dbraw/zinc/50/43/59/1047504359.db2.gz HXGFLQILGDZPSX-LJQANCHMSA-N 1 0 398.599 3.873 20 30 GHEDRO C#CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CCCc2ccccc21 ZINC001304065333 1047576411 /nfs/dbraw/zinc/57/64/11/1047576411.db2.gz BEROGJYVBZEMIY-UPVQGACJSA-N 1 0 387.527 3.833 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001304548227 1047709223 /nfs/dbraw/zinc/70/92/23/1047709223.db2.gz UUTLKWXKIHJDSG-RBUKOAKNSA-N 1 0 394.567 3.505 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1 ZINC001305060204 1047867369 /nfs/dbraw/zinc/86/73/69/1047867369.db2.gz PUMIKGODNLKRIB-MRXNPFEDSA-N 1 0 398.942 3.823 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001305144050 1047915907 /nfs/dbraw/zinc/91/59/07/1047915907.db2.gz UOPANSAGEPCYBW-DLBZAZTESA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001279831564 1047962370 /nfs/dbraw/zinc/96/23/70/1047962370.db2.gz KSIRAZLLMUDDFR-CEXWTWQISA-N 1 0 380.598 3.566 20 30 GHEDRO C[N@@H+]1CCC2(C1)CCN(C(=S)Nc1ccc(C#N)c(C(F)(F)F)c1)CC2 ZINC001279912056 1047986815 /nfs/dbraw/zinc/98/68/15/1047986815.db2.gz VQQYPGQPQLJAPL-UHFFFAOYSA-N 1 0 382.455 3.692 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@H]3[C@@H]2CC[N@H+]3CCCC(F)(F)F)cc1 ZINC001279912623 1047987582 /nfs/dbraw/zinc/98/75/82/1047987582.db2.gz JOZHOGVCIQNCEV-HOTGVXAUSA-N 1 0 382.455 3.746 20 30 GHEDRO C=CCCCNC(=S)N1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001279935866 1047993951 /nfs/dbraw/zinc/99/39/51/1047993951.db2.gz FVAYDTHFIILERY-UHFFFAOYSA-N 1 0 377.520 3.958 20 30 GHEDRO CC(C)(C)NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001280076944 1048072964 /nfs/dbraw/zinc/07/29/64/1048072964.db2.gz LBXGDDYBHLPYSS-YJYMSZOUSA-N 1 0 394.972 3.762 20 30 GHEDRO N#CCC1CN(C(=O)[C@@H]2CCC[C@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)C1 ZINC001280312072 1048175843 /nfs/dbraw/zinc/17/58/43/1048175843.db2.gz TYLCVXSQCBTLQX-QFBILLFUSA-N 1 0 377.941 3.766 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286299958 1048262798 /nfs/dbraw/zinc/26/27/98/1048262798.db2.gz KADOWLKSYGMWRJ-ROUUACIJSA-N 1 0 399.608 3.899 20 30 GHEDRO C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+]1CCCC[C@H]1CC ZINC001286369882 1048293887 /nfs/dbraw/zinc/29/38/87/1048293887.db2.gz CPSCXEJDZFAAOH-GOSISDBHSA-N 1 0 390.535 3.760 20 30 GHEDRO C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286409127 1048308599 /nfs/dbraw/zinc/30/85/99/1048308599.db2.gz IIFQRZDYGVRQKK-OAQYLSRUSA-N 1 0 395.595 3.737 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001286437241 1048320448 /nfs/dbraw/zinc/32/04/48/1048320448.db2.gz JCRTWNAUOKGJEM-NRFANRHFSA-N 1 0 391.563 3.692 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001286440646 1048322656 /nfs/dbraw/zinc/32/26/56/1048322656.db2.gz HEHVQGMEVRIQQK-CQSZACIVSA-N 1 0 389.906 3.680 20 30 GHEDRO C#CCN(CC)c1nnc(CC)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001286446308 1048326499 /nfs/dbraw/zinc/32/64/99/1048326499.db2.gz HAGZRXWEWXQVMP-TZIWHRDSSA-N 1 0 379.552 3.601 20 30 GHEDRO C#CCN(CC)c1nnc(CC(C)C)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001286445929 1048326626 /nfs/dbraw/zinc/32/66/26/1048326626.db2.gz CVDAJVYUCRNHBO-UHFFFAOYSA-N 1 0 393.579 3.970 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CC[N@@H+]1CCc2sccc2C1 ZINC001286517585 1048345616 /nfs/dbraw/zinc/34/56/16/1048345616.db2.gz SXBBAIFKFAPXJQ-VGOFRKELSA-N 1 0 397.592 3.904 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001286519444 1048346782 /nfs/dbraw/zinc/34/67/82/1048346782.db2.gz CPERAVBYDRARNE-XMSQKQJNSA-N 1 0 380.540 3.530 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001286524768 1048350098 /nfs/dbraw/zinc/35/00/98/1048350098.db2.gz OPAAFVIEUFEROT-HSZRJFAPSA-N 1 0 379.552 3.721 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286526024 1048351201 /nfs/dbraw/zinc/35/12/01/1048351201.db2.gz OMXAHIULASSLMU-TXTKFYIRSA-N 1 0 399.583 3.632 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286605769 1048383869 /nfs/dbraw/zinc/38/38/69/1048383869.db2.gz VULKURDWFDWKPU-NRFANRHFSA-N 1 0 395.551 3.602 20 30 GHEDRO C=C(Cl)Cn1c(C2CCC2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001286627869 1048397148 /nfs/dbraw/zinc/39/71/48/1048397148.db2.gz RUSSABCFJRRGLT-UHFFFAOYSA-N 1 0 391.972 3.724 20 30 GHEDRO C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001286628898 1048397311 /nfs/dbraw/zinc/39/73/11/1048397311.db2.gz HMMPKDNRJLCEMI-UHFFFAOYSA-N 1 0 387.959 3.941 20 30 GHEDRO C=C(Cl)Cn1c(C2CCCC2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001286630042 1048398433 /nfs/dbraw/zinc/39/84/33/1048398433.db2.gz URZISYRUJZJPNK-SFHVURJKSA-N 1 0 395.979 3.625 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+](CC)CC)CC1 ZINC001286643754 1048409390 /nfs/dbraw/zinc/40/93/90/1048409390.db2.gz UQSLCUUIVJLVDG-UHFFFAOYSA-N 1 0 383.540 3.842 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001286644445 1048409431 /nfs/dbraw/zinc/40/94/31/1048409431.db2.gz WSWQFEVUYWWIGI-FQEVSTJZSA-N 1 0 380.540 3.761 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286644502 1048410730 /nfs/dbraw/zinc/41/07/30/1048410730.db2.gz YMBCCCUZEIOHBR-SFHVURJKSA-N 1 0 382.556 3.940 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286662775 1048429035 /nfs/dbraw/zinc/42/90/35/1048429035.db2.gz XWPQKSCCJZHNCM-OAQYLSRUSA-N 1 0 396.583 3.643 20 30 GHEDRO C=CCCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286689257 1048449993 /nfs/dbraw/zinc/44/99/93/1048449993.db2.gz KRHLNDVHHVWCEU-OALUTQOASA-N 1 0 382.556 3.539 20 30 GHEDRO C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286694010 1048454973 /nfs/dbraw/zinc/45/49/73/1048454973.db2.gz IVSHQCPNUGGNLH-UHFFFAOYSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001286699361 1048460193 /nfs/dbraw/zinc/46/01/93/1048460193.db2.gz RLVAPLCTJKYWSM-RTBURBONSA-N 1 0 375.561 3.654 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)[NH+](CC)CC ZINC001286720609 1048477093 /nfs/dbraw/zinc/47/70/93/1048477093.db2.gz TXWYCAHTUHJFSI-OAHLLOKOSA-N 1 0 391.947 3.960 20 30 GHEDRO C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCC[N@H+]1CC ZINC001286728972 1048485904 /nfs/dbraw/zinc/48/59/04/1048485904.db2.gz JMPMKCLEORNDET-HXUWFJFHSA-N 1 0 392.551 3.778 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001286730329 1048488763 /nfs/dbraw/zinc/48/87/63/1048488763.db2.gz DLRGOSXBPSBLGN-GOSISDBHSA-N 1 0 399.514 3.635 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC001286734079 1048492124 /nfs/dbraw/zinc/49/21/24/1048492124.db2.gz MXWVYTCYHBZBGQ-SFHVURJKSA-N 1 0 382.556 3.703 20 30 GHEDRO C=CCN(c1nnc(C2CCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC001286737294 1048495505 /nfs/dbraw/zinc/49/55/05/1048495505.db2.gz MILMLGPDHQPAFZ-IRXDYDNUSA-N 1 0 387.572 3.588 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[N@H+]1CC ZINC001286743219 1048500618 /nfs/dbraw/zinc/50/06/18/1048500618.db2.gz BXYJEVJCUIXCAS-HXUWFJFHSA-N 1 0 390.535 3.950 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC=C(C)CC1)C(C)C ZINC001286751709 1048504165 /nfs/dbraw/zinc/50/41/65/1048504165.db2.gz JWDCVFCVHFZPDO-NHCUHLMSSA-N 1 0 399.583 3.985 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC001286794512 1048525137 /nfs/dbraw/zinc/52/51/37/1048525137.db2.gz JDRKMHUGVZFGLS-AZUAARDMSA-N 1 0 395.551 3.688 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCCCC[NH+]1CCCCC1 ZINC001286964110 1048556272 /nfs/dbraw/zinc/55/62/72/1048556272.db2.gz BQIGRVQQMCZCSZ-GOSISDBHSA-N 1 0 383.544 3.525 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286966075 1048557286 /nfs/dbraw/zinc/55/72/86/1048557286.db2.gz PIWLQKAXHCNRQB-YLJYHZDGSA-N 1 0 384.572 3.939 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+](C)C(C)C ZINC001306344333 1048582882 /nfs/dbraw/zinc/58/28/82/1048582882.db2.gz IKMFPLPZNUZBCI-FQEVSTJZSA-N 1 0 380.540 3.926 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001287205215 1048651503 /nfs/dbraw/zinc/65/15/03/1048651503.db2.gz ANEOVMGUELSFTO-HSZRJFAPSA-N 1 0 392.551 3.590 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001287240007 1048677924 /nfs/dbraw/zinc/67/79/24/1048677924.db2.gz VHPJMBQDYMJDGF-GHTZIAJQSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001287361020 1048734739 /nfs/dbraw/zinc/73/47/39/1048734739.db2.gz UPIZLPOEDNZKBS-TZIWHRDSSA-N 1 0 394.567 3.737 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001287407585 1048761215 /nfs/dbraw/zinc/76/12/15/1048761215.db2.gz PCIKRSCTLRSCEX-LJQANCHMSA-N 1 0 386.588 3.727 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001287441072 1048776433 /nfs/dbraw/zinc/77/64/33/1048776433.db2.gz POGCFVQBTLDJFF-KNQAVFIVSA-N 1 0 384.572 3.624 20 30 GHEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)c1cccc(F)c1 ZINC001306909485 1048956218 /nfs/dbraw/zinc/95/62/18/1048956218.db2.gz XSIIFUREASPSLL-MRXNPFEDSA-N 1 0 388.368 3.800 20 30 GHEDRO CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001307003011 1048999979 /nfs/dbraw/zinc/99/99/79/1048999979.db2.gz SUDJMUYVDYBHHQ-IBGZPJMESA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N1CC[C@](F)(C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001288636366 1049175535 /nfs/dbraw/zinc/17/55/35/1049175535.db2.gz HANAGPICWZHCPR-VGSWGCGISA-N 1 0 396.514 3.508 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)[C@H](C)CC#N)C[NH+]1CCCCC1 ZINC001288698139 1049203701 /nfs/dbraw/zinc/20/37/01/1049203701.db2.gz JJNVXDVDYNMPQY-QZTJIDSGSA-N 1 0 398.530 3.945 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001288799319 1049230007 /nfs/dbraw/zinc/23/00/07/1049230007.db2.gz CRELCOUDCGFEIQ-SFTDATJTSA-N 1 0 377.513 3.535 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](CCc3cccc(F)c3)C3CC3)C2=O)cc1 ZINC001307477307 1049314906 /nfs/dbraw/zinc/31/49/06/1049314906.db2.gz CVGKYKPXHXIOEW-QFIPXVFZSA-N 1 0 377.463 3.900 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC(C)(C)[C@@H]3C)sc2C1 ZINC001307530645 1049376105 /nfs/dbraw/zinc/37/61/05/1049376105.db2.gz PIWFTQYFKHKOBQ-KGLIPLIRSA-N 1 0 375.538 3.572 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H](O)CCC2(O)CCC2)cc1 ZINC001307534515 1049378798 /nfs/dbraw/zinc/37/87/98/1049378798.db2.gz CTKYPEGDPINABR-JOCHJYFZSA-N 1 0 382.479 3.756 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cc1 ZINC001307566118 1049407755 /nfs/dbraw/zinc/40/77/55/1049407755.db2.gz JFXLUMWPMAKQJR-UHFFFAOYSA-N 1 0 398.894 3.891 20 30 GHEDRO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)CC2(C#N)CCC2)c1 ZINC001307578903 1049416834 /nfs/dbraw/zinc/41/68/34/1049416834.db2.gz KRGWRKCKIYHYTD-PKTZIBPZSA-N 1 0 378.516 3.976 20 30 GHEDRO CCOC(=O)c1sc2ccccc2c1CN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001307600079 1049439060 /nfs/dbraw/zinc/43/90/60/1049439060.db2.gz XVRHKRFTNVXCQE-DLBZAZTESA-N 1 0 397.544 3.888 20 30 GHEDRO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]2CCCC[C@@H]21 ZINC001307604121 1049442149 /nfs/dbraw/zinc/44/21/49/1049442149.db2.gz QQPUFFHTRQOQSC-ATZDWAIDSA-N 1 0 378.438 3.684 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC001307611936 1049450674 /nfs/dbraw/zinc/45/06/74/1049450674.db2.gz TXHFICIPKDCQJG-JOCHJYFZSA-N 1 0 390.458 3.946 20 30 GHEDRO COC(=O)C[C@H]([NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CC1 ZINC001307668528 1049490894 /nfs/dbraw/zinc/49/08/94/1049490894.db2.gz LUAUSOMNBXSHNF-FQEVSTJZSA-N 1 0 394.471 3.577 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC001307698077 1049516642 /nfs/dbraw/zinc/51/66/42/1049516642.db2.gz LVYSJEWBEHDZFZ-ODAXIHTASA-N 1 0 376.500 3.956 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001289531335 1049526142 /nfs/dbraw/zinc/52/61/42/1049526142.db2.gz KNWDWZQCCPHRQJ-KSZLIROESA-N 1 0 398.555 3.810 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([NH2+][C@H](c3ccccc3)[C@@H](O)c3ccccc3)C2=O)cc1 ZINC001307811406 1049609195 /nfs/dbraw/zinc/60/91/95/1049609195.db2.gz BGONSWVMRLWLRI-VXNXHJTFSA-N 1 0 397.478 3.728 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H]3C3CCC3)sc2C1 ZINC001307868376 1049651517 /nfs/dbraw/zinc/65/15/17/1049651517.db2.gz MPPFMZDALKXVMH-RDTXWAMCSA-N 1 0 387.549 3.574 20 30 GHEDRO COC(=O)c1cccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c1C#N ZINC001307933229 1049704891 /nfs/dbraw/zinc/70/48/91/1049704891.db2.gz ITRZYLQIALVOEI-HSZRJFAPSA-N 1 0 391.515 3.687 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCCC1 ZINC001307932816 1049704939 /nfs/dbraw/zinc/70/49/39/1049704939.db2.gz HDASQQCHXYFNOL-UHFFFAOYSA-N 1 0 388.467 3.879 20 30 GHEDRO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001308015422 1049765435 /nfs/dbraw/zinc/76/54/35/1049765435.db2.gz FGHQLIKPTWGGLK-MRXNPFEDSA-N 1 0 392.528 3.689 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](Cc3cccnc3)C3CCCC3)C2=O)cc1 ZINC001308023787 1049775254 /nfs/dbraw/zinc/77/52/54/1049775254.db2.gz APICJLMGMYXUHW-GOTSBHOMSA-N 1 0 388.515 3.840 20 30 GHEDRO CC(C)(C)OC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001308125095 1049868390 /nfs/dbraw/zinc/86/83/90/1049868390.db2.gz ROEIJKGXMNZCMW-DTORHVGOSA-N 1 0 397.306 3.821 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)cc(OC)c1O ZINC001308186262 1049905197 /nfs/dbraw/zinc/90/51/97/1049905197.db2.gz KFFBTPCUSPFDMC-JOCHJYFZSA-N 1 0 396.531 3.601 20 30 GHEDRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001308299445 1049942694 /nfs/dbraw/zinc/94/26/94/1049942694.db2.gz HDWZNCTWZSSANS-SUMWQHHRSA-N 1 0 377.460 3.547 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC001308377772 1049961741 /nfs/dbraw/zinc/96/17/41/1049961741.db2.gz NQHRTUNSFONLQO-KKUMJFAQSA-N 1 0 381.316 3.829 20 30 GHEDRO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291005300 1049969046 /nfs/dbraw/zinc/96/90/46/1049969046.db2.gz VFIVRQPUQGLHRA-QZTJIDSGSA-N 1 0 394.567 3.887 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1 ZINC001308776990 1050090178 /nfs/dbraw/zinc/09/01/78/1050090178.db2.gz MLBHAEJFWAXPHL-KRWDZBQOSA-N 1 0 384.907 3.879 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1csc(C#N)c1 ZINC001327983464 1050346197 /nfs/dbraw/zinc/34/61/97/1050346197.db2.gz TULBREKGVUWTEM-SFHVURJKSA-N 1 0 391.500 3.824 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC001309415923 1050699237 /nfs/dbraw/zinc/69/92/37/1050699237.db2.gz QVBMWAGRLFLOBK-UHFFFAOYSA-N 1 0 383.945 3.535 20 30 GHEDRO CCc1nc2cc(C[NH2+]CCC(=O)Nc3cccc(C#N)c3)ccc2n1C1CC1 ZINC001329142941 1050733298 /nfs/dbraw/zinc/73/32/98/1050733298.db2.gz QMYPCEHGQORZDE-UHFFFAOYSA-N 1 0 387.487 3.924 20 30 GHEDRO N#Cc1cccc(C2(C(=O)Nc3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)cc3)CC2)c1 ZINC001330815861 1051118449 /nfs/dbraw/zinc/11/84/49/1051118449.db2.gz GLOOPIQZKPDYQI-JOCHJYFZSA-N 1 0 386.499 3.513 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC001310086103 1051144941 /nfs/dbraw/zinc/14/49/41/1051144941.db2.gz HUGBVWQKUINEDQ-UHFFFAOYSA-N 1 0 397.331 3.727 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc(Cl)nc([C@@H]4CCCO4)n3)CC2)cc1 ZINC001331526645 1051312197 /nfs/dbraw/zinc/31/21/97/1051312197.db2.gz VLAUVPYSVDGVGV-SFHVURJKSA-N 1 0 397.910 3.565 20 30 GHEDRO Cc1cnc2ccccc2c1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001310827184 1051619467 /nfs/dbraw/zinc/61/94/67/1051619467.db2.gz YKRGCSPFKDXPKT-UHFFFAOYSA-N 1 0 399.498 3.623 20 30 GHEDRO Cc1cc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001311069961 1051823178 /nfs/dbraw/zinc/82/31/78/1051823178.db2.gz CPFGXHZAZHGYLF-IEBWSBKVSA-N 1 0 377.492 3.684 20 30 GHEDRO Cc1cc(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001311069963 1051823812 /nfs/dbraw/zinc/82/38/12/1051823812.db2.gz CPFGXHZAZHGYLF-MJGOQNOKSA-N 1 0 377.492 3.684 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)Nc2cc(F)cc(C#N)c2)[C@H](C)C1 ZINC001311104475 1051860620 /nfs/dbraw/zinc/86/06/20/1051860620.db2.gz VPSSQYJDBQQYJR-MRXNPFEDSA-N 1 0 396.466 3.834 20 30 GHEDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC(CCC(F)(F)F)CCC(F)(F)F ZINC001334214088 1051919393 /nfs/dbraw/zinc/91/93/93/1051919393.db2.gz XRUVIKSLHTUGLZ-VIFPVBQESA-N 1 0 399.326 3.584 20 30 GHEDRO C#CCC1(NC(=O)NCc2ccc(OCC[NH+](CC)CC)cc2)CCCCC1 ZINC001311356941 1052054361 /nfs/dbraw/zinc/05/43/61/1052054361.db2.gz YRMFLLLPQRXRMZ-UHFFFAOYSA-N 1 0 385.552 3.933 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1c(F)cc(F)c(F)c1F)C(C)C ZINC001311387607 1052080256 /nfs/dbraw/zinc/08/02/56/1052080256.db2.gz FNJYWHBFRUHNAR-MRXNPFEDSA-N 1 0 387.421 3.741 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001311430850 1052135558 /nfs/dbraw/zinc/13/55/58/1052135558.db2.gz VHNADDNTWAPJJV-IBGZPJMESA-N 1 0 382.552 3.959 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311583584 1052263477 /nfs/dbraw/zinc/26/34/77/1052263477.db2.gz KVSQOSGVSYLHKI-FQEVSTJZSA-N 1 0 387.593 3.835 20 30 GHEDRO C=CCC[C@H](NC(=O)N(C)C1(C[NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001336863707 1052353969 /nfs/dbraw/zinc/35/39/69/1052353969.db2.gz VQSKLYHJBZPUSD-KRWDZBQOSA-N 1 0 399.457 3.862 20 30 GHEDRO CN1c2ccccc2N(C)C1=C1C(=N)N(CCCCOc2ccccc2)CC1=O ZINC001337298404 1052442938 /nfs/dbraw/zinc/44/29/38/1052442938.db2.gz QVTMRGZFPHZAIX-UHFFFAOYSA-N 1 0 390.487 3.505 20 30 GHEDRO C#C[C@H](NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC001312218149 1052643265 /nfs/dbraw/zinc/64/32/65/1052643265.db2.gz DYVLGDYHQISOIX-HMFYCAOWSA-N 1 0 393.506 3.956 20 30 GHEDRO C#Cc1cccc(CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001312313039 1052689539 /nfs/dbraw/zinc/68/95/39/1052689539.db2.gz DCJGKEVXGQKBQZ-WMZHIEFXSA-N 1 0 375.516 3.768 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313137204 1052966823 /nfs/dbraw/zinc/96/68/23/1052966823.db2.gz LBEXRXKAUKLFML-FPOVZHCZSA-N 1 0 381.520 3.788 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001313448739 1053056629 /nfs/dbraw/zinc/05/66/29/1053056629.db2.gz AMPYCXOHABCIGT-NRFANRHFSA-N 1 0 392.551 3.756 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)[C@H](O)CC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342308796 1053094445 /nfs/dbraw/zinc/09/44/45/1053094445.db2.gz BCZNMTXTUMJVGU-RBUKOAKNSA-N 1 0 389.588 3.573 20 30 GHEDRO CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001313562769 1053099098 /nfs/dbraw/zinc/09/90/98/1053099098.db2.gz GDYQWUZFGVXTJE-QGZVFWFLSA-N 1 0 380.521 3.637 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001342336224 1053114097 /nfs/dbraw/zinc/11/40/97/1053114097.db2.gz YVYSGHTVXKSPRK-WOJBJXKFSA-N 1 0 384.572 3.791 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001342353967 1053124743 /nfs/dbraw/zinc/12/47/43/1053124743.db2.gz BHMFIRONPXETDS-YDHSSHFGSA-N 1 0 392.551 3.574 20 30 GHEDRO CC[NH+](CC)[C@@H](Cn1c(C2CC2)nnc1N(C)C[C@H](C)C#N)c1ccsc1 ZINC001313673473 1053163580 /nfs/dbraw/zinc/16/35/80/1053163580.db2.gz RUNBOYDRGCRFAA-QAPCUYQASA-N 1 0 386.569 3.896 20 30 GHEDRO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001313682246 1053166993 /nfs/dbraw/zinc/16/69/93/1053166993.db2.gz FZANAKWZYBHFAW-SFHVURJKSA-N 1 0 380.540 3.927 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001342454398 1053178217 /nfs/dbraw/zinc/17/82/17/1053178217.db2.gz KCPRZOLQGGNQNR-IEBWSBKVSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C3CCOCC3)n2CC=C)C1 ZINC001342455993 1053179218 /nfs/dbraw/zinc/17/92/18/1053179218.db2.gz SZJNGCRXRMNMCK-UYAOXDASSA-N 1 0 385.556 3.573 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001313712260 1053184623 /nfs/dbraw/zinc/18/46/23/1053184623.db2.gz MLKBQAYCAQNVMP-ROUUACIJSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001313713046 1053185967 /nfs/dbraw/zinc/18/59/67/1053185967.db2.gz XXMNBDWFOPOXJW-AERCQKQUSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)C1 ZINC001313891056 1053273205 /nfs/dbraw/zinc/27/32/05/1053273205.db2.gz QHEISMONOUEQIS-LJQANCHMSA-N 1 0 392.551 3.785 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001342664585 1053287910 /nfs/dbraw/zinc/28/79/10/1053287910.db2.gz LURDROMCVSNWCX-RBUKOAKNSA-N 1 0 397.567 3.743 20 30 GHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)[NH+](C)C)C1CCCCC1 ZINC001314648947 1053550393 /nfs/dbraw/zinc/55/03/93/1053550393.db2.gz QMTKPBWRMBAFOP-OAQYLSRUSA-N 1 0 392.551 3.926 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CC[NH+]1CCCCC1 ZINC001314729896 1053579752 /nfs/dbraw/zinc/57/97/52/1053579752.db2.gz PHLDGXNOBZLQOX-UHFFFAOYSA-N 1 0 380.540 3.570 20 30 GHEDRO CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCC1 ZINC001314788580 1053613183 /nfs/dbraw/zinc/61/31/83/1053613183.db2.gz INLIYKBSCZZGCG-IBGZPJMESA-N 1 0 390.535 3.705 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001343342655 1053715598 /nfs/dbraw/zinc/71/55/98/1053715598.db2.gz CMONICQUBOPECJ-IBGZPJMESA-N 1 0 391.604 3.880 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC2(CC2)C1 ZINC001343345491 1053718517 /nfs/dbraw/zinc/71/85/17/1053718517.db2.gz WGOPBYQQANRDKI-LJQANCHMSA-N 1 0 385.556 3.551 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001343496361 1053814108 /nfs/dbraw/zinc/81/41/08/1053814108.db2.gz ZBJSQECWGGYYSA-SJORKVTESA-N 1 0 381.515 3.925 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@@H]2C1 ZINC001343515531 1053834657 /nfs/dbraw/zinc/83/46/57/1053834657.db2.gz PQAYSOBROVUDMT-CEXWTWQISA-N 1 0 378.520 3.747 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1Cc1cccs1 ZINC001343532622 1053847887 /nfs/dbraw/zinc/84/78/87/1053847887.db2.gz YIDQSKLBRWPMIK-CSNJMZFVSA-N 1 0 398.580 3.542 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343540298 1053855795 /nfs/dbraw/zinc/85/57/95/1053855795.db2.gz AXDHJOPUSGWCLY-GOSISDBHSA-N 1 0 393.539 3.516 20 30 GHEDRO C#CC[C@H](CC)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cccs1 ZINC001343543680 1053860083 /nfs/dbraw/zinc/86/00/83/1053860083.db2.gz KXYFUGJTGYWTJB-KRWDZBQOSA-N 1 0 385.581 3.872 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343658311 1053953787 /nfs/dbraw/zinc/95/37/87/1053953787.db2.gz YKSSSLAOFZINCU-UHFFFAOYSA-N 1 0 394.976 3.942 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001343714917 1053982400 /nfs/dbraw/zinc/98/24/00/1053982400.db2.gz SGZZRAQPDQABBU-UHFFFAOYSA-N 1 0 384.528 3.581 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001343850225 1054065970 /nfs/dbraw/zinc/06/59/70/1054065970.db2.gz CHQUKANJBDDZOX-PMACEKPBSA-N 1 0 382.556 3.574 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(C2CCCCC2)n1 ZINC001343865088 1054075443 /nfs/dbraw/zinc/07/54/43/1054075443.db2.gz JBTXKJOVFJJIPG-UHFFFAOYSA-N 1 0 394.523 3.856 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001344017010 1054189667 /nfs/dbraw/zinc/18/96/67/1054189667.db2.gz NLSBQHNLHCDMRT-CEWLAPEOSA-N 1 0 399.583 3.531 20 30 GHEDRO N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3)n2CCCCC[NH+]2CCCC2)C1 ZINC001316527582 1054216195 /nfs/dbraw/zinc/21/61/95/1054216195.db2.gz NKMBAKGKIPISKG-QFIPXVFZSA-N 1 0 396.514 3.653 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1)C(C)C ZINC001317828961 1054271589 /nfs/dbraw/zinc/27/15/89/1054271589.db2.gz JPKBCTHZNRYQDK-NRFANRHFSA-N 1 0 398.551 3.942 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001344396219 1054423297 /nfs/dbraw/zinc/42/32/97/1054423297.db2.gz GJCWBTSQNMXYMB-SESVDKBCSA-N 1 0 392.551 3.662 20 30 GHEDRO CC(C)(C)[NH2+]CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC001318260037 1054530805 /nfs/dbraw/zinc/53/08/05/1054530805.db2.gz DYGNEORXIIZENK-UHFFFAOYSA-N 1 0 396.438 3.951 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2CC(C)C)CC1 ZINC001345048824 1054870808 /nfs/dbraw/zinc/87/08/08/1054870808.db2.gz AOLQRDFWAGWUSV-QHCPKHFHSA-N 1 0 398.599 3.970 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC)C1CCCC1 ZINC001345875809 1055307055 /nfs/dbraw/zinc/30/70/55/1055307055.db2.gz QQTLMHNTKWBEPA-HXUWFJFHSA-N 1 0 387.572 3.939 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC001320868082 1055993045 /nfs/dbraw/zinc/99/30/45/1055993045.db2.gz QKYMVHNIXGDYKV-CQSZACIVSA-N 1 0 387.867 3.758 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300449701 1056130077 /nfs/dbraw/zinc/13/00/77/1056130077.db2.gz MMRJRFJFAUUISO-MBSDFSHPSA-N 1 0 379.552 3.833 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CC[NH+]1CCCCCC1 ZINC001300526507 1056369784 /nfs/dbraw/zinc/36/97/84/1056369784.db2.gz IKDMUVFYYRNRGE-UHFFFAOYSA-N 1 0 395.938 3.547 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)[C@@H](C)C1 ZINC001354158468 1056380838 /nfs/dbraw/zinc/38/08/38/1056380838.db2.gz MYIAAVYDMNRCLJ-ICSRJNTNSA-N 1 0 394.567 3.684 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300581663 1056538670 /nfs/dbraw/zinc/53/86/70/1056538670.db2.gz WMOBFDANPOTDQD-FQEVSTJZSA-N 1 0 381.568 3.521 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)C[NH+](C)C ZINC001300602964 1056611227 /nfs/dbraw/zinc/61/12/27/1056611227.db2.gz VXTRCXWVTSETAA-HXUWFJFHSA-N 1 0 381.568 3.867 20 30 GHEDRO C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@@H+](CC)CCC ZINC001300618212 1056682182 /nfs/dbraw/zinc/68/21/82/1056682182.db2.gz AQDSWBYBSXVBMC-UHFFFAOYSA-N 1 0 378.524 3.618 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001300628814 1056719027 /nfs/dbraw/zinc/71/90/27/1056719027.db2.gz BDRRTAMTABCHAP-OAQYLSRUSA-N 1 0 397.542 3.732 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC001323785486 1057013383 /nfs/dbraw/zinc/01/33/83/1057013383.db2.gz MEWQEKHXVNJXJJ-FQEVSTJZSA-N 1 0 398.459 3.959 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001300779804 1057016390 /nfs/dbraw/zinc/01/63/90/1057016390.db2.gz GSJSVIMHTGNSEJ-NFBKMPQASA-N 1 0 395.551 3.705 20 30 GHEDRO C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000848396278 1057062585 /nfs/dbraw/zinc/06/25/85/1057062585.db2.gz KKMHFWPXARVQGE-APWZRJJASA-N 1 0 378.476 3.527 20 30 GHEDRO [NH3+]C[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000848439142 1057089022 /nfs/dbraw/zinc/08/90/22/1057089022.db2.gz LWIPAFKUHOLMEJ-SYBPUXJVSA-N 1 0 394.237 3.743 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1OC(F)F ZINC001325873366 1057377318 /nfs/dbraw/zinc/37/73/18/1057377318.db2.gz YOYNFBMPDXVIAR-BBRMVZONSA-N 1 0 394.393 3.584 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001356093788 1057387073 /nfs/dbraw/zinc/38/70/73/1057387073.db2.gz DKZOFASSAQOUGB-SJORKVTESA-N 1 0 379.499 3.679 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001356107019 1057391195 /nfs/dbraw/zinc/39/11/95/1057391195.db2.gz HVCYACZNWVYMIW-HKUYNNGSSA-N 1 0 375.561 3.510 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cccc(C(=O)N(C)C)c1 ZINC000849061391 1057572491 /nfs/dbraw/zinc/57/24/91/1057572491.db2.gz VGBYGSRASMEYDC-UHFFFAOYSA-N 1 0 380.536 3.732 20 30 GHEDRO CN(C)C(NCc1cccc(NC(=O)c2ccccn2)c1)=[NH+]Cc1ccccc1 ZINC000849064080 1057574890 /nfs/dbraw/zinc/57/48/90/1057574890.db2.gz VCWJJESYBPBIGG-UHFFFAOYSA-N 1 0 387.487 3.541 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001356618408 1057574911 /nfs/dbraw/zinc/57/49/11/1057574911.db2.gz MHSCIXSCSJBKTI-QIJUGHKUSA-N 1 0 382.556 3.574 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Cn4cccc4)cc3)CC2)c1 ZINC001327269391 1057631272 /nfs/dbraw/zinc/63/12/72/1057631272.db2.gz HHDZDKVSYLHZEN-UHFFFAOYSA-N 1 0 398.510 3.802 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@@H]2C1 ZINC001337819386 1058282141 /nfs/dbraw/zinc/28/21/41/1058282141.db2.gz FTFLWAPCZOEOGN-VDZJLULYSA-N 1 0 384.524 3.930 20 30 GHEDRO Cn1c([C@@H]2CCCCN2Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001338394276 1058546410 /nfs/dbraw/zinc/54/64/10/1058546410.db2.gz ISXKEITYGXXUEC-FQEVSTJZSA-N 1 0 378.524 3.672 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC001440621104 1058550861 /nfs/dbraw/zinc/55/08/61/1058550861.db2.gz KUBCSFIFPLMDLX-UHFFFAOYSA-N 1 0 380.517 3.677 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001338736105 1058755690 /nfs/dbraw/zinc/75/56/90/1058755690.db2.gz TXQCPTNGTYJVIE-WOJBJXKFSA-N 1 0 392.551 3.585 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001338946594 1058901251 /nfs/dbraw/zinc/90/12/51/1058901251.db2.gz SNDOUDDJJBHBSE-RTBURBONSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCn1c(Nc2cccc(OC)c2)nnc1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001339250509 1059042101 /nfs/dbraw/zinc/04/21/01/1059042101.db2.gz NDDNDTLVYJWFBI-IBGZPJMESA-N 1 0 383.496 3.532 20 30 GHEDRO C=CCn1c(C[C@@H]2CC(C)(C)OC2(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340217853 1059772042 /nfs/dbraw/zinc/77/20/42/1059772042.db2.gz GNAPMLUBJNCJIS-QGZVFWFLSA-N 1 0 389.588 3.567 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001340312181 1059849472 /nfs/dbraw/zinc/84/94/72/1059849472.db2.gz HKCOKQFRZKGDKW-MRXNPFEDSA-N 1 0 384.553 3.530 20 30 GHEDRO Cc1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC001447623523 1059989816 /nfs/dbraw/zinc/98/98/16/1059989816.db2.gz UQVUDPGFKNOZQA-KRWDZBQOSA-N 1 0 378.520 3.960 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1C ZINC001341756238 1060862647 /nfs/dbraw/zinc/86/26/47/1060862647.db2.gz ULYOVAXHERTSAW-INIZCTEOSA-N 1 0 386.931 3.588 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC001342026009 1061004100 /nfs/dbraw/zinc/00/41/00/1061004100.db2.gz JSFRNHNJCPEGKX-ICSRJNTNSA-N 1 0 381.524 3.623 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC=NO2)nnc1N1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001342123695 1061070328 /nfs/dbraw/zinc/07/03/28/1061070328.db2.gz ZVFHJTPSSVAQLA-SJLPKXTDSA-N 1 0 397.527 3.637 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001345955137 1061240801 /nfs/dbraw/zinc/24/08/01/1061240801.db2.gz CFVLDKUCRBYVEY-CWTRNNRKSA-N 1 0 392.286 3.905 20 30 GHEDRO C=C(C)Cn1c(CN2CCCC2)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001345983984 1061260785 /nfs/dbraw/zinc/26/07/85/1061260785.db2.gz LMCXMWLKMLJLKB-YJBOKZPZSA-N 1 0 383.462 3.619 20 30 GHEDRO Cc1ccc([C@@H](Cn2c(C3CC3)nnc2N2CCC(C)(C#N)CC2)[NH+](C)C)cc1 ZINC001361139829 1061658393 /nfs/dbraw/zinc/65/83/93/1061658393.db2.gz QEBNKWCVSBFQLW-HXUWFJFHSA-N 1 0 392.551 3.897 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361212020 1061725623 /nfs/dbraw/zinc/72/56/23/1061725623.db2.gz FTAPXNRBHITGBS-VGSWGCGISA-N 1 0 396.539 3.709 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001346670112 1061780392 /nfs/dbraw/zinc/78/03/92/1061780392.db2.gz FMNIURUDSSEYKA-PZJWPPBQSA-N 1 0 395.551 3.550 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001454865326 1061947718 /nfs/dbraw/zinc/94/77/18/1061947718.db2.gz FCYQSUMFARFDDP-FRFYRWIFSA-N 1 0 376.500 3.905 20 30 GHEDRO N#CC[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC001434920926 1062112158 /nfs/dbraw/zinc/11/21/58/1062112158.db2.gz GOZWMDZMHKQVJH-NRFANRHFSA-N 1 0 379.529 3.914 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001435168147 1062353492 /nfs/dbraw/zinc/35/34/92/1062353492.db2.gz BFXNESIZWDULQW-ZNIKRAEXSA-N 1 0 383.536 3.685 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001347480891 1062417416 /nfs/dbraw/zinc/41/74/16/1062417416.db2.gz GTZJCLDYQFVTPS-WOJBJXKFSA-N 1 0 384.572 3.654 20 30 GHEDRO C=C[C@@H](CC)CC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001456522343 1062731577 /nfs/dbraw/zinc/73/15/77/1062731577.db2.gz ZYQIIEIDEQGUQP-HNNXBMFYSA-N 1 0 383.458 3.676 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(CC#N)cc3)n2CC2CC2)C1 ZINC001348145094 1062936512 /nfs/dbraw/zinc/93/65/12/1062936512.db2.gz KFEYIUHKRVAIMD-FQEVSTJZSA-N 1 0 392.551 3.589 20 30 GHEDRO C[C@H](CNc1ncc(C#N)c2ccsc21)[NH+]1CCN(c2ccccc2)CC1 ZINC001458111588 1063573323 /nfs/dbraw/zinc/57/33/23/1063573323.db2.gz JMVBXJRIDPVQDQ-MRXNPFEDSA-N 1 0 377.517 3.791 20 30 GHEDRO Cc1cc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc(C)c1C#N ZINC001458366827 1063765583 /nfs/dbraw/zinc/76/55/83/1063765583.db2.gz OXEWYBCURAYEHA-UHFFFAOYSA-N 1 0 391.515 3.622 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(N)c2C#N)[NH+](C)C)cc1 ZINC001458414422 1063791309 /nfs/dbraw/zinc/79/13/09/1063791309.db2.gz JJDAJSCMCFCECM-LJQANCHMSA-N 1 0 383.452 3.551 20 30 GHEDRO COc1cc(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001438357887 1064042106 /nfs/dbraw/zinc/04/21/06/1064042106.db2.gz LVQYRRMMSRYVMN-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1cccc([C@H](O)C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001459453296 1064102635 /nfs/dbraw/zinc/10/26/35/1064102635.db2.gz UPEHBHNOSKDOIG-LJQANCHMSA-N 1 0 379.287 3.783 20 30 GHEDRO COc1ccccc1N=C1SCCN1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001350598098 1064136148 /nfs/dbraw/zinc/13/61/48/1064136148.db2.gz LZNBOSJCGRPWCN-GOSISDBHSA-N 1 0 395.528 3.780 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439109248 1064176986 /nfs/dbraw/zinc/17/69/86/1064176986.db2.gz FCCLIDDYCNTOEO-CYSDGLOUSA-N 1 0 387.527 3.717 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)Cc1c(C)cc(C#N)cc1C)[NH+](C)C ZINC001463517770 1064427630 /nfs/dbraw/zinc/42/76/30/1064427630.db2.gz NNOJBIBTMKXOJU-GCJKJVERSA-N 1 0 399.560 3.594 20 30 GHEDRO C=CCn1c(-c2coc(C#N)c2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001351820776 1064624086 /nfs/dbraw/zinc/62/40/86/1064624086.db2.gz ZAWAKXAAPNYVDE-UHFFFAOYSA-N 1 0 382.512 3.544 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001464208820 1064907859 /nfs/dbraw/zinc/90/78/59/1064907859.db2.gz CEXQBSSHNZTNBU-ROUUACIJSA-N 1 0 391.515 3.975 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847344835 1065098132 /nfs/dbraw/zinc/09/81/32/1065098132.db2.gz WUBDRGUQDGHZOM-ALKREAHSSA-N 1 0 377.891 3.527 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC ZINC001464626074 1065119692 /nfs/dbraw/zinc/11/96/92/1065119692.db2.gz FBYPDZUJCXUNDH-MRXNPFEDSA-N 1 0 381.314 3.629 20 30 GHEDRO CC1(C)CN(C(=O)[C@H](C#N)CCc2ccccc2)CCN1Cc1ccccc1 ZINC001464933694 1065278909 /nfs/dbraw/zinc/27/89/09/1065278909.db2.gz XVTHOPOTJMSXTC-QFIPXVFZSA-N 1 0 375.516 3.882 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001465375188 1065574085 /nfs/dbraw/zinc/57/40/85/1065574085.db2.gz SDNDNEKAZPQUPM-KSZLIROESA-N 1 0 381.561 3.567 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300274740 1065905646 /nfs/dbraw/zinc/90/56/46/1065905646.db2.gz MJZAFWOLIGBEGW-WMQCIHAUSA-N 1 0 379.552 3.618 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001300304776 1065960722 /nfs/dbraw/zinc/96/07/22/1065960722.db2.gz VITCBVKEIXAJQL-JBACZVJFSA-N 1 0 395.551 3.589 20 30 GHEDRO CCC[C@@H]1C[C@@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000847747506 1066023457 /nfs/dbraw/zinc/02/34/57/1066023457.db2.gz KDZQPVAKLDGQTO-LEWJYISDSA-N 1 0 384.520 3.931 20 30 GHEDRO COCc1nc(C)c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000847748179 1066030982 /nfs/dbraw/zinc/03/09/82/1066030982.db2.gz ZUYZJCJIASQHGW-UHFFFAOYSA-N 1 0 399.516 3.561 20 30 GHEDRO CO[C@H]1CCC[C@H](CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847747712 1066033189 /nfs/dbraw/zinc/03/31/89/1066033189.db2.gz OEMKINYULCHABF-SFTDATJTSA-N 1 0 384.520 3.931 20 30 GHEDRO Cc1noc(C(F)F)c1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847749581 1066034654 /nfs/dbraw/zinc/03/46/54/1066034654.db2.gz VSKMUCQPZGRXBB-UHFFFAOYSA-N 1 0 389.402 3.883 20 30 GHEDRO C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001300362757 1066105536 /nfs/dbraw/zinc/10/55/36/1066105536.db2.gz UUAURFOGNFONHC-NRFANRHFSA-N 1 0 399.583 3.778 20 30 GHEDRO C#Cc1ccc(C(=O)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cc1 ZINC001466496991 1066172830 /nfs/dbraw/zinc/17/28/30/1066172830.db2.gz JTYRINXQRUJITH-BGYRXZFFSA-N 1 0 390.527 3.607 20 30 GHEDRO C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300391937 1066196497 /nfs/dbraw/zinc/19/64/97/1066196497.db2.gz IMWNINHQZNZHKK-UHFFFAOYSA-N 1 0 385.943 3.932 20 30 GHEDRO C#CCCCn1c(-c2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001300398878 1066218009 /nfs/dbraw/zinc/21/80/09/1066218009.db2.gz CFHITXWESXIFNK-HXUWFJFHSA-N 1 0 377.536 3.671 20 30 GHEDRO COCC[NH+]1CCC(OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000847883362 1066331287 /nfs/dbraw/zinc/33/12/87/1066331287.db2.gz FCRLUSMTFFYRSE-UHFFFAOYSA-N 1 0 380.444 3.618 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C(F)(F)F)c1 ZINC001467193696 1067140032 /nfs/dbraw/zinc/14/00/32/1067140032.db2.gz NJKCFDSNCDYXTN-GOSISDBHSA-N 1 0 394.441 3.822 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC001467307754 1067215609 /nfs/dbraw/zinc/21/56/09/1067215609.db2.gz JKIXLWJHIHYIQC-LJQANCHMSA-N 1 0 390.405 3.750 20 30 GHEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC001357890847 1067321340 /nfs/dbraw/zinc/32/13/40/1067321340.db2.gz HKKUNHBRFICYHJ-IBGZPJMESA-N 1 0 394.519 3.542 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[N@H+](C)C(C)C)cc1 ZINC001546162988 1067327554 /nfs/dbraw/zinc/32/75/54/1067327554.db2.gz DCVWDMRAQKDNQB-GOSISDBHSA-N 1 0 382.556 3.976 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001357973423 1067351904 /nfs/dbraw/zinc/35/19/04/1067351904.db2.gz QBQADGZMZWZVMB-NRFANRHFSA-N 1 0 394.567 3.534 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001473431831 1067559269 /nfs/dbraw/zinc/55/92/69/1067559269.db2.gz MBEWDPSYGIIGKW-UHFFFAOYSA-N 1 0 389.341 3.846 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001358878937 1067591804 /nfs/dbraw/zinc/59/18/04/1067591804.db2.gz IGGWNSNFBYMTOB-WMZOPIPTSA-N 1 0 395.507 3.981 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001358896179 1067602605 /nfs/dbraw/zinc/60/26/05/1067602605.db2.gz ZAWDJRQHYVOPEV-IRLDBZIGSA-N 1 0 393.579 3.786 20 30 GHEDRO C#CCN(C)c1nnc(C2CCC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001358947894 1067626917 /nfs/dbraw/zinc/62/69/17/1067626917.db2.gz NLZYELKAGVTKLE-UHFFFAOYSA-N 1 0 377.536 3.527 20 30 GHEDRO Cc1nccn1-c1ccc(CNC(=O)N(C)Cc2cc(C#N)cs2)cc1F ZINC001468202540 1067629856 /nfs/dbraw/zinc/62/98/56/1067629856.db2.gz NXGYQIJXAYQUSK-UHFFFAOYSA-N 1 0 383.452 3.595 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCCCC[NH+]1CCCC1 ZINC001358974990 1067632364 /nfs/dbraw/zinc/63/23/64/1067632364.db2.gz YPGDLLRQVIJSSH-UHFFFAOYSA-N 1 0 389.547 3.592 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCC[NH+]1CCC(C)CC1 ZINC001358996885 1067641364 /nfs/dbraw/zinc/64/13/64/1067641364.db2.gz WNWIJMJDVLUNLK-UHFFFAOYSA-N 1 0 395.595 3.596 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC[N@@H+](CC)C1CC1 ZINC001359015102 1067654209 /nfs/dbraw/zinc/65/42/09/1067654209.db2.gz ILMQCJDPLRQVOT-UHFFFAOYSA-N 1 0 397.542 3.839 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001359070957 1067671530 /nfs/dbraw/zinc/67/15/30/1067671530.db2.gz YTIAQRABGKICPY-ZRCGQRJVSA-N 1 0 399.583 3.776 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359124328 1067698531 /nfs/dbraw/zinc/69/85/31/1067698531.db2.gz XADFDZWQANVAAB-PMACEKPBSA-N 1 0 397.567 3.969 20 30 GHEDRO C=C1CCN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359163544 1067718953 /nfs/dbraw/zinc/71/89/53/1067718953.db2.gz IZBYBYNJESQKDP-UHFFFAOYSA-N 1 0 395.555 3.548 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+](C)C(C)C)CC1 ZINC001359176898 1067736336 /nfs/dbraw/zinc/73/63/36/1067736336.db2.gz SBHVCQFJONFEAS-UHFFFAOYSA-N 1 0 383.540 3.696 20 30 GHEDRO C=C1CCC(CNC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC001468642224 1067801980 /nfs/dbraw/zinc/80/19/80/1067801980.db2.gz BEJRUJGOLSFGMX-UHFFFAOYSA-N 1 0 388.531 3.513 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC001477858758 1078597093 /nfs/dbraw/zinc/59/70/93/1078597093.db2.gz YSJAOFVHTLOJAG-UHFFFAOYSA-N 1 0 385.552 3.675 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001359236743 1067842511 /nfs/dbraw/zinc/84/25/11/1067842511.db2.gz XNMHRQNLXWQALD-GOSISDBHSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCN(C)c1nnc(C2CCCC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001359239746 1067848379 /nfs/dbraw/zinc/84/83/79/1067848379.db2.gz VYKABFWVIHAJOR-FQEVSTJZSA-N 1 0 383.540 3.869 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCOC2)n1CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC001359251163 1067902116 /nfs/dbraw/zinc/90/21/16/1067902116.db2.gz DUUWKXUKLRBVKY-MOPGFXCFSA-N 1 0 387.572 3.591 20 30 GHEDRO C#CCC1(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC001468832991 1067904594 /nfs/dbraw/zinc/90/45/94/1067904594.db2.gz BGPOWQRKPZJTHF-KRWDZBQOSA-N 1 0 379.426 3.525 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849586323 1067914636 /nfs/dbraw/zinc/91/46/36/1067914636.db2.gz DHVQEHPNIJYQCV-XZOQPEGZSA-N 1 0 394.563 3.839 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC1CC[NH+](CCC)CC1 ZINC001359271067 1067937985 /nfs/dbraw/zinc/93/79/85/1067937985.db2.gz KDXVYFSVAPAYJI-HXUWFJFHSA-N 1 0 387.572 3.820 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(Br)cc2C#N)c(F)c1 ZINC001468971077 1067941487 /nfs/dbraw/zinc/94/14/87/1067941487.db2.gz CIOOYKVOCWPIBD-UHFFFAOYSA-N 1 0 376.229 3.774 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)[NH+](C)C ZINC001359275641 1067944463 /nfs/dbraw/zinc/94/44/63/1067944463.db2.gz ZTKIOBYUJZTUPT-IBGZPJMESA-N 1 0 390.535 3.525 20 30 GHEDRO C=CCOc1ccc(Cn2c(C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001359306523 1068023653 /nfs/dbraw/zinc/02/36/53/1068023653.db2.gz JHQKCJMFZWFDKV-UHFFFAOYSA-N 1 0 397.567 3.758 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359801694 1068195297 /nfs/dbraw/zinc/19/52/97/1068195297.db2.gz ZLVBWWPSWLBBHT-RBUKOAKNSA-N 1 0 386.588 3.727 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H]1C(C)(C)C ZINC001469619793 1068264685 /nfs/dbraw/zinc/26/46/85/1068264685.db2.gz WOGPETMMULEBAN-QFIPXVFZSA-N 1 0 391.515 3.940 20 30 GHEDRO C=CCSCCNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001469760358 1068366654 /nfs/dbraw/zinc/36/66/54/1068366654.db2.gz CXJSOZHJQUDLCX-UHFFFAOYSA-N 1 0 389.487 3.698 20 30 GHEDRO C[C@H](CCn1c(C2CC2)nnc1N1CC[C@](F)(C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001360509543 1068537290 /nfs/dbraw/zinc/53/72/90/1068537290.db2.gz UWMAKWXPGFXALS-VGSWGCGISA-N 1 0 396.514 3.508 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001470249219 1068646336 /nfs/dbraw/zinc/64/63/36/1068646336.db2.gz JLBUONSXUSFJBS-GOSISDBHSA-N 1 0 394.519 3.574 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001460279364 1068903715 /nfs/dbraw/zinc/90/37/15/1068903715.db2.gz QXNVDMMPOABSFW-HNAYVOBHSA-N 1 0 381.439 3.788 20 30 GHEDRO C[C@@]12CN(Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001460633850 1069043413 /nfs/dbraw/zinc/04/34/13/1069043413.db2.gz AEIDNCGMMJFULH-DHIUTWEWSA-N 1 0 390.487 3.810 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H]2CSC[C@@H]2C1 ZINC001460655694 1069061192 /nfs/dbraw/zinc/06/11/92/1069061192.db2.gz RLTAQHSUAMLTGE-KFWWJZLASA-N 1 0 389.590 3.901 20 30 GHEDRO CCOC(=O)c1sc(C2CC[NH+](CCc3ccc(C#N)cc3)CC2)nc1C ZINC001460680637 1069081775 /nfs/dbraw/zinc/08/17/75/1069081775.db2.gz VLKUUOPADSRODE-UHFFFAOYSA-N 1 0 383.517 3.922 20 30 GHEDRO C[C@@H]1CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC001478549051 1078913954 /nfs/dbraw/zinc/91/39/54/1078913954.db2.gz LOVADYQBNOSALG-DXIQSLLYSA-N 1 0 382.552 3.848 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001470490438 1072588514 /nfs/dbraw/zinc/58/85/14/1072588514.db2.gz ICCQDWBAPYWWAA-TZRRMPRUSA-N 1 0 389.543 3.947 20 30 GHEDRO CC(C)[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC001470948820 1072839979 /nfs/dbraw/zinc/83/99/79/1072839979.db2.gz KJOWLWSCYBIPKV-FGZHOGPDSA-N 1 0 382.552 3.978 20 30 GHEDRO Cc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001471298508 1073004400 /nfs/dbraw/zinc/00/44/00/1073004400.db2.gz MLXYGODPZHMIHI-RBUKOAKNSA-N 1 0 376.504 3.671 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001471556362 1073131621 /nfs/dbraw/zinc/13/16/21/1073131621.db2.gz GEPZIQVIRMOAOI-LEWJYISDSA-N 1 0 386.540 3.881 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001471556364 1073132392 /nfs/dbraw/zinc/13/23/92/1073132392.db2.gz GEPZIQVIRMOAOI-NHCUHLMSSA-N 1 0 386.540 3.881 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001471568980 1073139971 /nfs/dbraw/zinc/13/99/71/1073139971.db2.gz WOGHWOOINZLWEC-XBYSBRQOSA-N 1 0 379.548 3.732 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001471568976 1073140057 /nfs/dbraw/zinc/14/00/57/1073140057.db2.gz WOGHWOOINZLWEC-FCJDFRRUSA-N 1 0 379.548 3.732 20 30 GHEDRO C=CCCC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC001471586719 1073147862 /nfs/dbraw/zinc/14/78/62/1073147862.db2.gz ZUWNEFCZRSORBU-OAQYLSRUSA-N 1 0 378.520 3.661 20 30 GHEDRO Cc1nc(C#N)cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)n1 ZINC001472801588 1073672493 /nfs/dbraw/zinc/67/24/93/1073672493.db2.gz BLWVRICDGBWCQT-FCHUYYIVSA-N 1 0 387.462 3.876 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001479209622 1079154400 /nfs/dbraw/zinc/15/44/00/1079154400.db2.gz QIHXZUFQPOLGNJ-UDIDDNNKSA-N 1 0 379.548 3.875 20 30 GHEDRO C#CC[N@@H+](CCCSCCOC)[C@@H]1CCOc2ccc(Br)cc21 ZINC001473168283 1073827343 /nfs/dbraw/zinc/82/73/43/1073827343.db2.gz NRAGIEYAYPDRGZ-QGZVFWFLSA-N 1 0 398.366 3.978 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(C)(C)C ZINC001473335776 1073925958 /nfs/dbraw/zinc/92/59/58/1073925958.db2.gz KLZGDSDVNXNGDX-RBBKRZOGSA-N 1 0 396.531 3.998 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC001473551776 1074013450 /nfs/dbraw/zinc/01/34/50/1074013450.db2.gz SYKAAWLCIYQWSK-FCHUYYIVSA-N 1 0 389.499 3.974 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC001473585920 1074031918 /nfs/dbraw/zinc/03/19/18/1074031918.db2.gz OYZXSDPBMPPNCR-LEWJYISDSA-N 1 0 392.499 3.994 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2(C)C)c1 ZINC001473726943 1074110843 /nfs/dbraw/zinc/11/08/43/1074110843.db2.gz SNDKFHSKMJEKGY-LJQANCHMSA-N 1 0 393.462 3.723 20 30 GHEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC001473839117 1074168013 /nfs/dbraw/zinc/16/80/13/1074168013.db2.gz SDTMTCQHTZAIIK-LJQANCHMSA-N 1 0 378.394 3.669 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001474188299 1074287746 /nfs/dbraw/zinc/28/77/46/1074287746.db2.gz XOYZLACFKLTKPU-UHFFFAOYSA-N 1 0 394.519 3.939 20 30 GHEDRO C[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001493410911 1079267229 /nfs/dbraw/zinc/26/72/29/1079267229.db2.gz PEIKFQREEQCQHE-ROUUACIJSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493506515 1079274696 /nfs/dbraw/zinc/27/46/96/1079274696.db2.gz FGFHFDBSSKYQBA-HMFYCAOWSA-N 1 0 397.571 3.532 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001493741831 1079291592 /nfs/dbraw/zinc/29/15/92/1079291592.db2.gz YPUAIRIDNQCVJT-GOSISDBHSA-N 1 0 380.540 3.783 20 30 GHEDRO CCCCCCCS(=O)(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001474914652 1074630341 /nfs/dbraw/zinc/63/03/41/1074630341.db2.gz WSGSLUQJKHCNLN-KRWDZBQOSA-N 1 0 399.576 3.528 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493804122 1079297825 /nfs/dbraw/zinc/29/78/25/1079297825.db2.gz CTFVKGDEKJOIRS-DLBZAZTESA-N 1 0 384.503 3.554 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001476223712 1075105863 /nfs/dbraw/zinc/10/58/63/1075105863.db2.gz DOIXEEKSNVIWBH-LPHOPBHVSA-N 1 0 381.451 3.622 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC[N@@H+]1CCc2sccc2C1 ZINC001495049624 1079377972 /nfs/dbraw/zinc/37/79/72/1079377972.db2.gz MQQAAHVXLKGZNI-HOTGVXAUSA-N 1 0 386.569 3.650 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001648155122 1126250129 /nfs/dbraw/zinc/25/01/29/1126250129.db2.gz GLKYMIBHXYZMSL-AEFFLSMTSA-N 1 0 398.812 3.866 20 30 GHEDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001656294676 1126257541 /nfs/dbraw/zinc/25/75/41/1126257541.db2.gz XRGJECJXFSZYLP-IBGZPJMESA-N 1 0 379.287 3.979 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828295537 601300436 /nfs/dbraw/zinc/30/04/36/601300436.db2.gz JINBLIUNDIRGJJ-QFIPXVFZSA-N 1 0 377.488 3.706 20 30 GHEDRO N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000833072614 601355018 /nfs/dbraw/zinc/35/50/18/601355018.db2.gz VXEYNLXMYPXBIL-VWNXMTODSA-N 1 0 389.499 3.672 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1-c1nn[nH]n1 ZINC000826202990 608310195 /nfs/dbraw/zinc/31/01/95/608310195.db2.gz VLIDCFFJAWFLOS-UHFFFAOYSA-N 1 0 396.454 3.704 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1Cl ZINC001164387921 718814011 /nfs/dbraw/zinc/81/40/11/718814011.db2.gz JZCOOQXYTPHGKI-ZDUSSCGKSA-N 1 0 394.775 3.662 20 30 GHEDRO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000580738278 837391111 /nfs/dbraw/zinc/39/11/11/837391111.db2.gz FMRRXJMTTNGACA-IAGOWNOFSA-N 1 0 399.922 3.926 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000176551004 837434009 /nfs/dbraw/zinc/43/40/09/837434009.db2.gz WMKLTRHQIUUDLY-UHFFFAOYSA-N 1 0 385.443 3.712 20 30 GHEDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC(F)F ZINC000581337286 837500641 /nfs/dbraw/zinc/50/06/41/837500641.db2.gz DKTMSPJDEGFLBC-UHFFFAOYSA-N 1 0 389.446 3.732 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000180762900 837522627 /nfs/dbraw/zinc/52/26/27/837522627.db2.gz NMZGACQFUPUVLP-WFASDCNBSA-N 1 0 376.806 3.632 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000608867395 837698927 /nfs/dbraw/zinc/69/89/27/837698927.db2.gz SNRBYKHATXXDFM-KRWDZBQOSA-N 1 0 383.521 3.600 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc(OC)cc2)CC1 ZINC000613372580 837774112 /nfs/dbraw/zinc/77/41/12/837774112.db2.gz KFDMWQGIDVJJTQ-HXUWFJFHSA-N 1 0 397.515 3.707 20 30 GHEDRO [NH2+]=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)Nc1cc(F)ccc1F ZINC000262332970 834517532 /nfs/dbraw/zinc/51/75/32/834517532.db2.gz YKTWWFICRPTHJL-ICSRJNTNSA-N 1 0 377.410 3.604 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)CNC(=O)c3ccsc3)CCCCC2)CCO1 ZINC000329216015 834562649 /nfs/dbraw/zinc/56/26/49/834562649.db2.gz NSVHHCKQJABLOT-UHFFFAOYSA-N 1 0 393.553 3.823 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c(O)c1 ZINC000588578025 834590725 /nfs/dbraw/zinc/59/07/25/834590725.db2.gz NAQASYWDAUROLR-RRFFURKPSA-N 1 0 379.504 3.767 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000246857361 834694261 /nfs/dbraw/zinc/69/42/61/834694261.db2.gz UDYVVWSCAQJVNH-GMAHTHKFSA-N 1 0 389.499 3.694 20 30 GHEDRO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430163918 834716161 /nfs/dbraw/zinc/71/61/61/834716161.db2.gz AMKZJVQFVHUGSM-OAQYLSRUSA-N 1 0 387.487 3.916 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1F ZINC000577756387 834731179 /nfs/dbraw/zinc/73/11/79/834731179.db2.gz CUPLWYUBNZNPCP-HSZRJFAPSA-N 1 0 377.463 3.826 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430923039 834767986 /nfs/dbraw/zinc/76/79/86/834767986.db2.gz DDXVCQULAZSTPR-OAQYLSRUSA-N 1 0 377.488 3.611 20 30 GHEDRO CC(C)(C#N)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458658274 834966081 /nfs/dbraw/zinc/96/60/81/834966081.db2.gz ROKUOMVFXDDOPC-LEWJYISDSA-N 1 0 394.494 3.643 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC000246808792 835031591 /nfs/dbraw/zinc/03/15/91/835031591.db2.gz ALWIUWOQNJIQRT-VQTJNVASSA-N 1 0 378.516 3.770 20 30 GHEDRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc(CSC3CCCC3)c2)CC1 ZINC000329449068 835062993 /nfs/dbraw/zinc/06/29/93/835062993.db2.gz DEYSWUZBYNCCLC-UHFFFAOYSA-N 1 0 377.554 3.645 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nc(-c4ccccc4)c[nH]3)C2)c(F)c1 ZINC000583911729 835236619 /nfs/dbraw/zinc/23/66/19/835236619.db2.gz OPMYEMCAJCZXHK-GOSISDBHSA-N 1 0 375.451 3.846 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000052684979 835247793 /nfs/dbraw/zinc/24/77/93/835247793.db2.gz BEUFKYDJLYSCML-SFHVURJKSA-N 1 0 382.508 3.645 20 30 GHEDRO C=CCn1c(SCC[NH+]2CCCCC2)nnc1[C@H]1COc2ccccc2O1 ZINC000247977303 835345872 /nfs/dbraw/zinc/34/58/72/835345872.db2.gz GDWBBAAUNJRKAV-GOSISDBHSA-N 1 0 386.521 3.555 20 30 GHEDRO CC(C)(C)OC(=O)CCCC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000612121835 835544680 /nfs/dbraw/zinc/54/46/80/835544680.db2.gz PTMSUCBGBHRXFR-LJQANCHMSA-N 1 0 375.488 3.520 20 30 GHEDRO N#Cc1cc(Cl)ccc1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000584070305 835544925 /nfs/dbraw/zinc/54/49/25/835544925.db2.gz BKEKNRRXSTVUSX-NRFANRHFSA-N 1 0 380.923 3.608 20 30 GHEDRO C=CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248439751 835556623 /nfs/dbraw/zinc/55/66/23/835556623.db2.gz IZKYWPQQYSMMEM-PKTZIBPZSA-N 1 0 393.531 3.760 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1cccc(F)c1 ZINC000278625991 835576263 /nfs/dbraw/zinc/57/62/63/835576263.db2.gz KCSDHSZXJIZSJI-INIZCTEOSA-N 1 0 379.439 3.555 20 30 GHEDRO CC(C)C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(=O)Nc1nccs1 ZINC000179436925 835711485 /nfs/dbraw/zinc/71/14/85/835711485.db2.gz MLUXNGOTCWUQKF-SFHVURJKSA-N 1 0 385.537 3.636 20 30 GHEDRO C=CCN(CC(=O)Nc1ccccc1Br)Cc1cccc(C#N)c1 ZINC000063300411 835754427 /nfs/dbraw/zinc/75/44/27/835754427.db2.gz LIDLCTWJTQVXCD-UHFFFAOYSA-N 1 0 384.277 3.947 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000535616245 835795510 /nfs/dbraw/zinc/79/55/10/835795510.db2.gz IGSKXBQQPSNGGR-UHFFFAOYSA-N 1 0 394.862 3.722 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000188083164 835820815 /nfs/dbraw/zinc/82/08/15/835820815.db2.gz JEFINWWSXKKZCQ-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000549675919 844094354 /nfs/dbraw/zinc/09/43/54/844094354.db2.gz VBHMQWCXQPMXLP-UHFFFAOYSA-N 1 0 399.514 3.592 20 30 GHEDRO CC(C)OCCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000584322018 835877868 /nfs/dbraw/zinc/87/78/68/835877868.db2.gz XZWMNDBXLXSIQO-OAHLLOKOSA-N 1 0 377.554 3.963 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000255840539 835921493 /nfs/dbraw/zinc/92/14/93/835921493.db2.gz CHWHJHBDEWWTPI-GOSISDBHSA-N 1 0 379.504 3.829 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccs1 ZINC000048186316 836035656 /nfs/dbraw/zinc/03/56/56/836035656.db2.gz NCWRJKKISUJMMA-QGZVFWFLSA-N 1 0 395.484 3.824 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4c(Cl)cccc43)C2=O)cc1 ZINC000569762026 836040685 /nfs/dbraw/zinc/04/06/85/836040685.db2.gz JSZXJBPGAIYUPO-NHCUHLMSSA-N 1 0 379.891 3.980 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000612272888 836045410 /nfs/dbraw/zinc/04/54/10/836045410.db2.gz XRNLLLPCDLMJQX-QHCPKHFHSA-N 1 0 396.535 3.542 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000430295506 836075829 /nfs/dbraw/zinc/07/58/29/836075829.db2.gz CPBRCVSRONUHFX-FQEVSTJZSA-N 1 0 393.535 3.704 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000179875314 836206862 /nfs/dbraw/zinc/20/68/62/836206862.db2.gz IDLGYPWMFCENAG-HXUWFJFHSA-N 1 0 388.515 3.853 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000179881812 836226918 /nfs/dbraw/zinc/22/69/18/836226918.db2.gz SSMDPAKTTZGUTK-VQTJNVASSA-N 1 0 398.894 3.714 20 30 GHEDRO COc1ccc(SCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930866 836254977 /nfs/dbraw/zinc/25/49/77/836254977.db2.gz KSODQDPHQDLZOH-UHFFFAOYSA-N 1 0 397.544 3.639 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000187239960 836270171 /nfs/dbraw/zinc/27/01/71/836270171.db2.gz IUORUQGPUWHXRH-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO Cc1ccc2ncc(C#N)c(N3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000582522428 836376678 /nfs/dbraw/zinc/37/66/78/836376678.db2.gz OWUZATSDQFBLMY-ROUUACIJSA-N 1 0 378.520 3.741 20 30 GHEDRO CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cccs1 ZINC000024741502 836407095 /nfs/dbraw/zinc/40/70/95/836407095.db2.gz XHVHSBGQZKSZHU-UHFFFAOYSA-N 1 0 380.435 3.757 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000065988362 836438753 /nfs/dbraw/zinc/43/87/53/836438753.db2.gz QURDYIPFQMVIIR-HXUWFJFHSA-N 1 0 377.532 3.874 20 30 GHEDRO CCNC(=S)C(C(=O)c1cc(C)c(F)cc1Cl)[n+]1ccc(N(C)C)cc1 ZINC000155189918 836541605 /nfs/dbraw/zinc/54/16/05/836541605.db2.gz ZJHGQJVPVOEDLE-UHFFFAOYSA-O 1 0 394.923 3.689 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(F)c1 ZINC000413898846 836690633 /nfs/dbraw/zinc/69/06/33/836690633.db2.gz HLUNSKIQLZOROP-UHFFFAOYSA-N 1 0 387.480 3.510 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(OCC#N)cc1 ZINC000376073597 836756751 /nfs/dbraw/zinc/75/67/51/836756751.db2.gz GEDKWPCOURHKFT-CQSZACIVSA-N 1 0 386.883 3.526 20 30 GHEDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000658927623 836763050 /nfs/dbraw/zinc/76/30/50/836763050.db2.gz FHRGVEPOYKZQCY-JTQLQIEISA-N 1 0 386.311 3.787 20 30 GHEDRO C=C(C)[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)c(F)c1 ZINC000547804501 836793548 /nfs/dbraw/zinc/79/35/48/836793548.db2.gz SHWOSLQTHQEZNF-IBGZPJMESA-N 1 0 393.478 3.526 20 30 GHEDRO COc1cccc(O[C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180254787 836880656 /nfs/dbraw/zinc/88/06/56/836880656.db2.gz PWGSYQDBIGTUJE-INIZCTEOSA-N 1 0 376.460 3.524 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCOC4=O)cc3)CC2)cc1 ZINC000180051804 836911690 /nfs/dbraw/zinc/91/16/90/836911690.db2.gz OIDYPXDTGIMMHN-UHFFFAOYSA-N 1 0 376.460 3.591 20 30 GHEDRO COc1cccc([C@H](C)N2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000728931937 844220490 /nfs/dbraw/zinc/22/04/90/844220490.db2.gz HHNNLTJLRYXSDQ-IBGZPJMESA-N 1 0 379.504 3.715 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000176015433 837112861 /nfs/dbraw/zinc/11/28/61/837112861.db2.gz YUVUKFIJVNXDPU-UHFFFAOYSA-N 1 0 379.342 3.847 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000188623882 837193873 /nfs/dbraw/zinc/19/38/73/837193873.db2.gz FOOOEFLGVLYVTP-QUCCMNQESA-N 1 0 395.469 3.596 20 30 GHEDRO C=CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H](C)COC ZINC000664122384 844251534 /nfs/dbraw/zinc/25/15/34/844251534.db2.gz RPHWRUPFMBWLDN-QAPCUYQASA-N 1 0 399.457 3.512 20 30 GHEDRO N#C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000471344865 837314186 /nfs/dbraw/zinc/31/41/86/837314186.db2.gz BIVCNZRSBTWEIH-LJQANCHMSA-N 1 0 398.304 3.578 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[NH+](CC(C)C)CC2)c1=S ZINC000177886228 837342227 /nfs/dbraw/zinc/34/22/27/837342227.db2.gz YHHNQJZUMGPUKH-UHFFFAOYSA-N 1 0 385.581 3.807 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)CSc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000247566182 844263716 /nfs/dbraw/zinc/26/37/16/844263716.db2.gz ZZYZANWABCOIRE-JXFKEZNVSA-N 1 0 385.558 3.911 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452063563 837369240 /nfs/dbraw/zinc/36/92/40/837369240.db2.gz WZESUPUVRKOZPN-GOSISDBHSA-N 1 0 389.908 3.705 20 30 GHEDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000728710099 837846517 /nfs/dbraw/zinc/84/65/17/837846517.db2.gz OVODTBMESFUARY-UHFFFAOYSA-N 1 0 379.504 3.979 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCNc2ccc(C(F)(F)F)cn2)cc1 ZINC000728711613 837949778 /nfs/dbraw/zinc/94/97/78/837949778.db2.gz KITPLDGSVOMQOR-CQSZACIVSA-N 1 0 378.398 3.983 20 30 GHEDRO N#CCC1(C[NH2+]C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000579947783 837956409 /nfs/dbraw/zinc/95/64/09/837956409.db2.gz FAQQMZCBNHZGCO-HXUWFJFHSA-N 1 0 386.442 3.715 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)n(-c2ccc(C#N)cc2)n1 ZINC000415700868 838001081 /nfs/dbraw/zinc/00/10/81/838001081.db2.gz NEHPOXYJEVJXEB-KRWDZBQOSA-N 1 0 394.523 3.634 20 30 GHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000584545103 838210450 /nfs/dbraw/zinc/21/04/50/838210450.db2.gz MESDKWVMVIYVHI-KRWDZBQOSA-N 1 0 385.533 3.654 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181415038 838278376 /nfs/dbraw/zinc/27/83/76/838278376.db2.gz JFVDMKJSCHLCPE-QGZVFWFLSA-N 1 0 379.504 3.891 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000415928398 838285326 /nfs/dbraw/zinc/28/53/26/838285326.db2.gz FJUKFYLVDDXJIA-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000415936878 838289974 /nfs/dbraw/zinc/28/99/74/838289974.db2.gz XFHFKOHEYBGXTH-UHFFFAOYSA-N 1 0 393.491 3.574 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000610317934 838385709 /nfs/dbraw/zinc/38/57/09/838385709.db2.gz GVWHEMOLLFYCBI-KRWDZBQOSA-N 1 0 377.492 3.583 20 30 GHEDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000513073693 844325858 /nfs/dbraw/zinc/32/58/58/844325858.db2.gz DPIFDXWDVWSFOU-FYYLOGMGSA-N 1 0 391.515 3.920 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC001167329697 838421500 /nfs/dbraw/zinc/42/15/00/838421500.db2.gz HWBMDQIJOMMBAD-OAQYLSRUSA-N 1 0 377.532 3.898 20 30 GHEDRO N#Cc1cccnc1NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000047461145 838434556 /nfs/dbraw/zinc/43/45/56/838434556.db2.gz OJAUQLVJUOJVOB-UHFFFAOYSA-N 1 0 389.425 3.596 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3cc(C#N)ccc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000560629344 838439203 /nfs/dbraw/zinc/43/92/03/838439203.db2.gz LFQXSTNZUSBENZ-SFTDATJTSA-N 1 0 395.890 3.928 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@@H]2CCCO2)c1 ZINC000041465784 838492077 /nfs/dbraw/zinc/49/20/77/838492077.db2.gz LAQKCCUJDVZMFM-IBGZPJMESA-O 1 0 397.564 3.915 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CCCCC1 ZINC000175855400 838540053 /nfs/dbraw/zinc/54/00/53/838540053.db2.gz KIFDNBIXQUZCRF-QZTJIDSGSA-N 1 0 389.565 3.759 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)CC1 ZINC000416151626 838637790 /nfs/dbraw/zinc/63/77/90/838637790.db2.gz RLANZFWJRXQWRC-UHFFFAOYSA-N 1 0 396.510 3.661 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000549117948 838664264 /nfs/dbraw/zinc/66/42/64/838664264.db2.gz PIAPDZDBLARWTB-CEXWTWQISA-N 1 0 393.934 3.770 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]CCOc3cccc(C#N)c3)CCN2C2CC2)c1 ZINC000549119549 838677370 /nfs/dbraw/zinc/67/73/70/838677370.db2.gz YXCAEPWBQXJZSY-GOTSBHOMSA-N 1 0 377.488 3.513 20 30 GHEDRO C=CCc1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc(OC)c1O ZINC000123943630 838793565 /nfs/dbraw/zinc/79/35/65/838793565.db2.gz YMTYRHCPZMNLIH-UHFFFAOYSA-N 1 0 381.501 3.980 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000415012612 839056909 /nfs/dbraw/zinc/05/69/09/839056909.db2.gz SVGDWCCDRKQLSH-PWIZWCRZSA-N 1 0 376.460 3.942 20 30 GHEDRO C=CCOc1cccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)c1 ZINC000415016674 839064972 /nfs/dbraw/zinc/06/49/72/839064972.db2.gz QGMDACWJOLRYBZ-RTWAWAEBSA-N 1 0 381.476 3.527 20 30 GHEDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000415130207 839255736 /nfs/dbraw/zinc/25/57/36/839255736.db2.gz WJGYIBRUAHLXNT-IBGZPJMESA-N 1 0 378.476 3.519 20 30 GHEDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000118986556 839262400 /nfs/dbraw/zinc/26/24/00/839262400.db2.gz LBBGHULDLOZHQZ-UHFFFAOYSA-N 1 0 384.911 3.650 20 30 GHEDRO N#CCc1ccc(OCc2cccc(NC(=O)NCC[N@H+]3CC=CCC3)c2)cc1 ZINC000431885804 839395661 /nfs/dbraw/zinc/39/56/61/839395661.db2.gz VKHKPHVHGJOSPJ-UHFFFAOYSA-N 1 0 390.487 3.715 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)[NH+](C)C)cc1 ZINC000184341416 839476068 /nfs/dbraw/zinc/47/60/68/839476068.db2.gz REGPYTJALMOWMU-OXQOHEQNSA-N 1 0 380.492 3.964 20 30 GHEDRO Cn1ccc2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c21 ZINC000190054498 839515270 /nfs/dbraw/zinc/51/52/70/839515270.db2.gz XRSOAHSHRTXGGH-UHFFFAOYSA-N 1 0 375.476 3.646 20 30 GHEDRO C=CCCCCNC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000472770970 839532168 /nfs/dbraw/zinc/53/21/68/839532168.db2.gz LXUDCIHHCLYTSA-UHFFFAOYSA-N 1 0 379.302 3.603 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCN2CCN(c3ccccc3)CC2)CC1 ZINC000535784746 844446067 /nfs/dbraw/zinc/44/60/67/844446067.db2.gz RJKOMFQABZMQKC-UHFFFAOYSA-N 1 0 388.559 3.802 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000569332995 839614829 /nfs/dbraw/zinc/61/48/29/839614829.db2.gz MTSSJXADEBBFGJ-WMLDXEAASA-N 1 0 376.909 3.874 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549256920 839617274 /nfs/dbraw/zinc/61/72/74/839617274.db2.gz QDUPSYCGIMVJTO-FQEVSTJZSA-N 1 0 397.567 3.910 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000580485156 839659000 /nfs/dbraw/zinc/65/90/00/839659000.db2.gz RJJLFXOXABHALP-DLBZAZTESA-N 1 0 376.508 3.598 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000119146060 839670396 /nfs/dbraw/zinc/67/03/96/839670396.db2.gz KVKQHIATOKARJE-NFBKMPQASA-N 1 0 389.499 3.694 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000119146198 839670933 /nfs/dbraw/zinc/67/09/33/839670933.db2.gz KVKQHIATOKARJE-OFNKIYASSA-N 1 0 389.499 3.694 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc(C)c1F ZINC001143380167 839776497 /nfs/dbraw/zinc/77/64/97/839776497.db2.gz ZKGNOBWMCWZWFX-QHCPKHFHSA-N 1 0 377.463 3.943 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2cncc(OCc3ccccc3)c2)cc1 ZINC000783040396 839819165 /nfs/dbraw/zinc/81/91/65/839819165.db2.gz RICZQYBUGGJTNC-UHFFFAOYSA-N 1 0 390.487 3.559 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000415491793 839852502 /nfs/dbraw/zinc/85/25/02/839852502.db2.gz OPVXCHOQNPKDNC-MRXNPFEDSA-N 1 0 379.504 3.813 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1 ZINC000609460057 840177725 /nfs/dbraw/zinc/17/77/25/840177725.db2.gz YOQATUQSHQSYDN-XMSQKQJNSA-N 1 0 390.531 3.773 20 30 GHEDRO CCCNC(=O)c1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160661955 840341159 /nfs/dbraw/zinc/34/11/59/840341159.db2.gz BCQZFRSOQSEQBW-UHFFFAOYSA-N 1 0 394.397 3.652 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000580887954 840381384 /nfs/dbraw/zinc/38/13/84/840381384.db2.gz BPCTYDCXTUACTQ-VJBWXMMDSA-N 1 0 381.516 3.724 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)on2)c1 ZINC000580926661 840445998 /nfs/dbraw/zinc/44/59/98/840445998.db2.gz HEZTWSUWHOYNIT-OAQYLSRUSA-N 1 0 386.455 3.780 20 30 GHEDRO Cc1cc(C(O)=CONC(=[NH2+])Cc2ccccc2)c(C)n1Cc1cccs1 ZINC000195560885 840500682 /nfs/dbraw/zinc/50/06/82/840500682.db2.gz WQNPQSCMUNPNKB-UHFFFAOYSA-N 1 0 381.501 3.929 20 30 GHEDRO Cc1ccc([C@H](c2nc(-c3ccc(C#N)c(C)c3)no2)N2CCC[C@H]([NH3+])C2)cc1 ZINC001211824353 844548290 /nfs/dbraw/zinc/54/82/90/844548290.db2.gz CTZYTSHEKFFLJY-LEWJYISDSA-N 1 0 387.487 3.738 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1C#N)[n+]1ccc(C)cc1 ZINC000186963623 840551948 /nfs/dbraw/zinc/55/19/48/840551948.db2.gz YVHVILNTONJQFM-UHFFFAOYSA-O 1 0 391.476 3.810 20 30 GHEDRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417369924 840786273 /nfs/dbraw/zinc/78/62/73/840786273.db2.gz RZQYFOZXHBWCMB-ZEQRLZLVSA-N 1 0 375.516 3.907 20 30 GHEDRO COCCCC[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000419384276 844580429 /nfs/dbraw/zinc/58/04/29/844580429.db2.gz JWJXIJKOELECFX-UHFFFAOYSA-N 1 0 394.519 3.525 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cc(C#N)ccc3OC)CCN2C2CC2)c1 ZINC000549471888 840884140 /nfs/dbraw/zinc/88/41/40/840884140.db2.gz KXPSVHXMDYXEPL-JTHBVZDNSA-N 1 0 377.488 3.643 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000660596221 840971002 /nfs/dbraw/zinc/97/10/02/840971002.db2.gz AIYOFZNZACSUFB-UHFFFAOYSA-N 1 0 396.560 3.918 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000610491044 840973421 /nfs/dbraw/zinc/97/34/21/840973421.db2.gz HYVUNGNJUONLCF-IBGZPJMESA-N 1 0 377.513 3.924 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990214 841367400 /nfs/dbraw/zinc/36/74/00/841367400.db2.gz KAYQXZFCKAVMNG-HYFFOGBASA-N 1 0 376.504 3.913 20 30 GHEDRO Cc1ccccc1C[N@@H+](Cc1ccccn1)C[C@@H](O)COc1ccccc1C#N ZINC000599431534 861203241 /nfs/dbraw/zinc/20/32/41/861203241.db2.gz JRZAEEOYGCOQSX-HSZRJFAPSA-N 1 0 387.483 3.704 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C[C@H]1C ZINC000500121679 841485797 /nfs/dbraw/zinc/48/57/97/841485797.db2.gz NDLNOFLRLBWHQE-RTBURBONSA-N 1 0 393.535 3.635 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCC[NH2+]1 ZINC000662725995 841490839 /nfs/dbraw/zinc/49/08/39/841490839.db2.gz DARVVURNYYYFDZ-HXUWFJFHSA-N 1 0 384.867 3.624 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CC[N@@H+](C)C[C@H]3C(C)C)c(=S)o2)cc1 ZINC000160914520 841497698 /nfs/dbraw/zinc/49/76/98/841497698.db2.gz YOZXHPZROCHFQW-SFHVURJKSA-N 1 0 388.537 3.667 20 30 GHEDRO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599453476 861207626 /nfs/dbraw/zinc/20/76/26/861207626.db2.gz RQKZNLRTKLJENP-YJBOKZPZSA-N 1 0 392.927 3.729 20 30 GHEDRO COc1cccc(C2(F)CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000500153627 841528779 /nfs/dbraw/zinc/52/87/79/841528779.db2.gz JLSMZOHAAVLQTC-UHFFFAOYSA-N 1 0 381.451 3.856 20 30 GHEDRO CC(C)(C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1(O)CCOCC1 ZINC000418126357 841538708 /nfs/dbraw/zinc/53/87/08/841538708.db2.gz LSHRYWGUMSANKP-UHFFFAOYSA-N 1 0 394.515 3.795 20 30 GHEDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662775128 841590163 /nfs/dbraw/zinc/59/01/63/841590163.db2.gz QANYCAIKYXXKPU-VHSXEESVSA-N 1 0 386.311 3.798 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2CCN(CC(F)F)CC2)cc1OC ZINC000623576475 861218775 /nfs/dbraw/zinc/21/87/75/861218775.db2.gz ZMGVUUAAKCXDHQ-UHFFFAOYSA-N 1 0 388.886 3.980 20 30 GHEDRO CC(C)C(=O)N1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000123617428 841801774 /nfs/dbraw/zinc/80/17/74/841801774.db2.gz LKOQBZSISBDHGS-UHFFFAOYSA-N 1 0 391.515 3.828 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000595255484 841867735 /nfs/dbraw/zinc/86/77/35/841867735.db2.gz DIVHBYXDSPSJNB-GFCCVEGCSA-N 1 0 384.292 3.862 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000329290287 861255044 /nfs/dbraw/zinc/25/50/44/861255044.db2.gz AKCGTUWUFMYEMJ-CTNGQTDRSA-N 1 0 381.524 3.526 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 ZINC000181956934 841983868 /nfs/dbraw/zinc/98/38/68/841983868.db2.gz WBLARDIJUNSELJ-IZCOPSDLSA-N 1 0 387.524 3.674 20 30 GHEDRO Cc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000730786766 861282145 /nfs/dbraw/zinc/28/21/45/861282145.db2.gz RQSFAHGYGVQMCE-IAGOWNOFSA-N 1 0 378.520 3.959 20 30 GHEDRO Cc1c(F)c(Br)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000596979782 842196525 /nfs/dbraw/zinc/19/65/25/842196525.db2.gz OQXBGGXLHJSRDL-UHFFFAOYSA-N 1 0 385.281 3.596 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)CCCC1 ZINC000661850438 842239024 /nfs/dbraw/zinc/23/90/24/842239024.db2.gz IPBQKTUEUHWPJU-UHFFFAOYSA-N 1 0 376.570 3.792 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cnc(CC(F)(F)F)s3)CC2)cc1 ZINC000891540908 842277927 /nfs/dbraw/zinc/27/79/27/842277927.db2.gz VHEHXBUXUJWOCE-UHFFFAOYSA-N 1 0 394.466 3.827 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(N[C@H]2CC[C@H](C#N)CC2)nc2ccccc21 ZINC001167840530 842384991 /nfs/dbraw/zinc/38/49/91/842384991.db2.gz BRDOBDURFOZWSY-IYARVYRRSA-N 1 0 393.535 3.801 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)CC1 ZINC000066922134 842422732 /nfs/dbraw/zinc/42/27/32/842422732.db2.gz HDZJJXATFPPJTQ-UHFFFAOYSA-N 1 0 382.435 3.910 20 30 GHEDRO CCC1(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCOCC1 ZINC000329353071 861317413 /nfs/dbraw/zinc/31/74/13/861317413.db2.gz DZDIRNSVWFGZNK-UHFFFAOYSA-N 1 0 377.554 3.563 20 30 GHEDRO Cc1nn(C)c(N2CC[NH+](Cc3cccc(-c4ccccc4C)c3)CC2)c1C#N ZINC000471800097 842577628 /nfs/dbraw/zinc/57/76/28/842577628.db2.gz TYINDGXWQMTSQW-UHFFFAOYSA-N 1 0 385.515 3.898 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000512184386 842825994 /nfs/dbraw/zinc/82/59/94/842825994.db2.gz MGZVFJWAGPPPEW-QFIPXVFZSA-N 1 0 390.531 3.701 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000599574714 861351263 /nfs/dbraw/zinc/35/12/63/861351263.db2.gz YZPVASSCQFPRAR-HRAATJIYSA-N 1 0 380.467 3.987 20 30 GHEDRO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)nc1 ZINC000896650441 861369263 /nfs/dbraw/zinc/36/92/63/861369263.db2.gz HRMRKWIYURJJNQ-QGZVFWFLSA-N 1 0 376.489 3.548 20 30 GHEDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)o1 ZINC000279356355 843022932 /nfs/dbraw/zinc/02/29/32/843022932.db2.gz GUCWDYRVBUXHOV-HXUWFJFHSA-N 1 0 391.475 3.935 20 30 GHEDRO C[N@H+](CCC(=O)N[C@H](C#N)c1ccc(Br)cc1)C1CCCCC1 ZINC000548389466 843070931 /nfs/dbraw/zinc/07/09/31/843070931.db2.gz SHPSZDAICICDTI-QGZVFWFLSA-N 1 0 378.314 3.785 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)[NH+]2CCCC2)cc1 ZINC000328950173 843086671 /nfs/dbraw/zinc/08/66/71/843086671.db2.gz CFBALPYYQAMSCC-BBTUJRGHSA-N 1 0 387.549 3.542 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000279505382 843095965 /nfs/dbraw/zinc/09/59/65/843095965.db2.gz ZYHBMLAATONVGP-IBGZPJMESA-N 1 0 375.451 3.987 20 30 GHEDRO C=CCN1C(=O)N(CCC[N@@H+](C)C2CCCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430862688 843103038 /nfs/dbraw/zinc/10/30/38/843103038.db2.gz FKEOMSUGROUMHH-OAQYLSRUSA-N 1 0 383.536 3.703 20 30 GHEDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000512215264 843105155 /nfs/dbraw/zinc/10/51/55/843105155.db2.gz ZTSITHXNHQQYFD-KXBFYZLASA-N 1 0 394.544 3.507 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000329408574 861382139 /nfs/dbraw/zinc/38/21/39/861382139.db2.gz ZXOKHLFJWOKFRA-ZWKOTPCHSA-N 1 0 385.487 3.620 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)Cc3c[nH]c4cccc(Cl)c34)CC2)cc1 ZINC000430878904 843129864 /nfs/dbraw/zinc/12/98/64/843129864.db2.gz QCVUXGRHPXJZPY-UHFFFAOYSA-N 1 0 392.890 3.580 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](O)c3cc(F)cc(Cl)c3)CC2)cc1 ZINC000279614474 843167094 /nfs/dbraw/zinc/16/70/94/843167094.db2.gz XRYCJMKPSGDARJ-NRFANRHFSA-N 1 0 387.886 3.638 20 30 GHEDRO COC(=O)c1nc([C@H]2CCCN2Cc2ccc(N(C)CCC#N)cc2)sc1C ZINC000279630986 843183982 /nfs/dbraw/zinc/18/39/82/843183982.db2.gz HZJAVFRHTMAQKT-GOSISDBHSA-N 1 0 398.532 3.925 20 30 GHEDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662407002 843188704 /nfs/dbraw/zinc/18/87/04/843188704.db2.gz PHVUAVVOMIUWIS-GFCCVEGCSA-N 1 0 386.311 3.800 20 30 GHEDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(NC([O-])=[NH+]c2ccccc2)s1 ZINC000329413126 861389861 /nfs/dbraw/zinc/38/98/61/861389861.db2.gz CNIAODYSDKNLNN-JKSUJKDBSA-N 1 0 384.505 3.762 20 30 GHEDRO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610585914 843200394 /nfs/dbraw/zinc/20/03/94/843200394.db2.gz ZKEDUSNVXWBSNF-UPVQGACJSA-N 1 0 378.516 3.837 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000159229742 843328819 /nfs/dbraw/zinc/32/88/19/843328819.db2.gz FDXVDOFLCOSWCB-UHFFFAOYSA-N 1 0 392.425 3.661 20 30 GHEDRO CCc1noc(-c2ccc(C)c(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)n1 ZINC000330268651 843338441 /nfs/dbraw/zinc/33/84/41/843338441.db2.gz IULBDWJAVZOGMA-KRWDZBQOSA-N 1 0 383.496 3.713 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCc2ccccc2C1 ZINC000512317573 843358845 /nfs/dbraw/zinc/35/88/45/843358845.db2.gz DMFLFCYHINGZQE-KRWDZBQOSA-N 1 0 379.529 3.926 20 30 GHEDRO C=CCN1C(=O)N(Cc2cccc(C[N@@H+](C)CC)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431009148 843405110 /nfs/dbraw/zinc/40/51/10/843405110.db2.gz WTKUZTYNFAXLFX-JOCHJYFZSA-N 1 0 391.515 3.700 20 30 GHEDRO CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000662570866 843413839 /nfs/dbraw/zinc/41/38/39/843413839.db2.gz IVCLRYYKZIOCAD-GFCCVEGCSA-N 1 0 386.311 3.785 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)Cc2ccc(C#N)cc2)CC1 ZINC000279873549 843449175 /nfs/dbraw/zinc/44/91/75/843449175.db2.gz CCQMTIKBJCGDJR-UHFFFAOYSA-N 1 0 376.504 3.517 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)NCCCC3CCCCC3)CCOCC2)cc1 ZINC000599629912 861418676 /nfs/dbraw/zinc/41/86/76/861418676.db2.gz BIZJRHVXKCUKBA-UHFFFAOYSA-N 1 0 383.536 3.630 20 30 GHEDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1C ZINC000599631269 861419792 /nfs/dbraw/zinc/41/97/92/861419792.db2.gz NYLXZUYYFPWXPW-JOCHJYFZSA-N 1 0 394.515 3.519 20 30 GHEDRO Cc1cccc2c1CC[C@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000105291809 843527516 /nfs/dbraw/zinc/52/75/16/843527516.db2.gz HLSHTVFSJBTGIQ-JOCHJYFZSA-N 1 0 376.504 3.627 20 30 GHEDRO Cc1oc(NC(=O)CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)c(C#N)c1C ZINC000176026589 843531060 /nfs/dbraw/zinc/53/10/60/843531060.db2.gz FJGRGIZVHNUQHP-UHFFFAOYSA-N 1 0 386.540 3.539 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610697543 843562075 /nfs/dbraw/zinc/56/20/75/843562075.db2.gz VZNRDGJUPLHJJD-GOSISDBHSA-N 1 0 393.491 3.845 20 30 GHEDRO N#CCCN(C(=O)CN1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000603850938 843568088 /nfs/dbraw/zinc/56/80/88/843568088.db2.gz KQBSJHXDHMNFOR-UHFFFAOYSA-N 1 0 388.943 3.537 20 30 GHEDRO C[NH+]=C(NCc1nccn1CC(F)(F)F)N1CCCC2(C1)CCCCCC2 ZINC000261653217 843616838 /nfs/dbraw/zinc/61/68/38/843616838.db2.gz AEWJELXZTJVDKT-UHFFFAOYSA-N 1 0 385.478 3.957 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@@H]1[NH+](C)C ZINC000759945725 843629293 /nfs/dbraw/zinc/62/92/93/843629293.db2.gz NYLLTAILYIMBMK-QHAWAJNXSA-N 1 0 394.544 3.851 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000418794673 843638769 /nfs/dbraw/zinc/63/87/69/843638769.db2.gz RKYTVWUGSBVEIM-WIYYLYMNSA-N 1 0 380.467 3.537 20 30 GHEDRO CCN1CC[NH+](C[C@@H](C)CNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000568903311 843696190 /nfs/dbraw/zinc/69/61/90/843696190.db2.gz CQUDHMSMNOJHLK-INIZCTEOSA-N 1 0 385.943 3.754 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000453361594 843805017 /nfs/dbraw/zinc/80/50/17/843805017.db2.gz KRKMMAHARDZVBP-CJNGLKHVSA-N 1 0 391.284 3.962 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)c1cccc(CC)c1 ZINC000669335131 843858340 /nfs/dbraw/zinc/85/83/40/843858340.db2.gz JGLPLGJOZNBLAQ-UXHICEINSA-N 1 0 381.524 3.720 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)CCCCCC1 ZINC000329463428 861478244 /nfs/dbraw/zinc/47/82/44/861478244.db2.gz QNZQQCQYPGJOIG-IBGZPJMESA-N 1 0 386.540 3.959 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC000178666816 844716274 /nfs/dbraw/zinc/71/62/74/844716274.db2.gz BLZLJZDHSCWNOS-NRFANRHFSA-N 1 0 391.531 3.567 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000512631551 844822913 /nfs/dbraw/zinc/82/29/13/844822913.db2.gz RMTBNDJYKFKDGW-RDJZCZTQSA-N 1 0 383.467 3.892 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000512631548 844822944 /nfs/dbraw/zinc/82/29/44/844822944.db2.gz RMTBNDJYKFKDGW-DOTOQJQBSA-N 1 0 383.467 3.892 20 30 GHEDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)cc1F ZINC000512653491 844897472 /nfs/dbraw/zinc/89/74/72/844897472.db2.gz FPBCLLYTPNHGQX-AAEUAGOBSA-N 1 0 375.806 3.946 20 30 GHEDRO CS[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000614460152 844907265 /nfs/dbraw/zinc/90/72/65/844907265.db2.gz STWFKUZUWSHWHE-GJZGRUSLSA-N 1 0 384.332 3.517 20 30 GHEDRO CN(C)c1nccc(CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)n1 ZINC000329480475 861514848 /nfs/dbraw/zinc/51/48/48/861514848.db2.gz QUKTTZTZMNTJOF-INIZCTEOSA-N 1 0 382.512 3.506 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCOc2ncc(Cl)cc2Cl)cc1Cl ZINC000126153762 844959947 /nfs/dbraw/zinc/95/99/47/844959947.db2.gz IFFLLVHLIVFSPK-UHFFFAOYSA-N 1 0 389.670 3.856 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000151146527 844988853 /nfs/dbraw/zinc/98/88/53/844988853.db2.gz FYOYKIXJRDCDBL-UYAOXDASSA-N 1 0 383.442 3.530 20 30 GHEDRO O=C(Cc1c[nH]c2cc(Cl)ccc12)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329089530 845043352 /nfs/dbraw/zinc/04/33/52/845043352.db2.gz IMYDGAIYOCUUIV-UHFFFAOYSA-N 1 0 375.900 3.965 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513299131 845213921 /nfs/dbraw/zinc/21/39/21/845213921.db2.gz CMNMXCHKCMQIKO-JTHBVZDNSA-N 1 0 391.515 3.742 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2c(F)cccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000513369036 845317418 /nfs/dbraw/zinc/31/74/18/845317418.db2.gz AHCSMTRYAVGJEN-XLIONFOSSA-N 1 0 379.479 3.751 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000673742872 861562941 /nfs/dbraw/zinc/56/29/41/861562941.db2.gz JOWJPHCIYUVXSL-UHFFFAOYSA-N 1 0 394.519 3.528 20 30 GHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000538267205 845363917 /nfs/dbraw/zinc/36/39/17/845363917.db2.gz ARAWDAXKZYTTRR-UHFFFAOYSA-N 1 0 389.286 3.869 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)C1CC1 ZINC000614251402 845431437 /nfs/dbraw/zinc/43/14/37/845431437.db2.gz YAMAUCFKSKKKQV-QHCPKHFHSA-N 1 0 386.499 3.805 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000513446501 845470596 /nfs/dbraw/zinc/47/05/96/845470596.db2.gz FSZMODNIAAKLGD-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO N#Cc1cccc(-c2noc([C@H](c3cc4ccccc4[nH]3)N3CCC[C@@H]([NH3+])C3)n2)c1 ZINC001211806342 845565959 /nfs/dbraw/zinc/56/59/59/845565959.db2.gz TWZZFBPXESILRB-NQIIRXRSSA-N 1 0 398.470 3.602 20 30 GHEDRO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512812492 845618823 /nfs/dbraw/zinc/61/88/23/845618823.db2.gz VCQFXHZIXKBFCA-IBGZPJMESA-N 1 0 398.478 3.597 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179479953 861597297 /nfs/dbraw/zinc/59/72/97/861597297.db2.gz SYXFMWINJUAMLN-RTWAWAEBSA-N 1 0 394.475 3.738 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2Cn2cccn2)c1 ZINC000104158682 845808588 /nfs/dbraw/zinc/80/85/88/845808588.db2.gz GSVVSGAYEAROKC-UHFFFAOYSA-N 1 0 393.491 3.656 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(N(CC)CC)nc2)c1 ZINC000104163521 845808957 /nfs/dbraw/zinc/80/89/57/845808957.db2.gz NTXCKLJNBSDSKQ-UHFFFAOYSA-N 1 0 385.512 3.652 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000472101411 845870223 /nfs/dbraw/zinc/87/02/23/845870223.db2.gz FEDFCOFAFBDHMZ-UHFFFAOYSA-N 1 0 398.551 3.766 20 30 GHEDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001167518101 846029405 /nfs/dbraw/zinc/02/94/05/846029405.db2.gz UDIHSQXUOXVZKN-BESSAKFISA-N 1 0 385.552 3.670 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000157702599 846124271 /nfs/dbraw/zinc/12/42/71/846124271.db2.gz FVZGYUKUCGNFJS-NRFANRHFSA-N 1 0 398.551 3.513 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000072007030 846195106 /nfs/dbraw/zinc/19/51/06/846195106.db2.gz AVCHRKHZMILUJF-SIKLNZKXSA-N 1 0 391.515 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000731481426 861654389 /nfs/dbraw/zinc/65/43/89/861654389.db2.gz SRNZXERHMYOWOB-IBGZPJMESA-N 1 0 398.551 3.717 20 30 GHEDRO C[C@H](CO)[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC1CCC1 ZINC000280244336 846335254 /nfs/dbraw/zinc/33/52/54/846335254.db2.gz BBUGYBYMFSXBKV-CVEARBPZSA-N 1 0 375.538 3.502 20 30 GHEDRO COc1ccc(C[N@H+](CCc2ccccn2)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000280331872 846371967 /nfs/dbraw/zinc/37/19/67/846371967.db2.gz HUCYWJMDOCNGEN-XMMPIXPASA-N 1 0 387.483 3.740 20 30 GHEDRO N#CCSCCC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280589015 846452942 /nfs/dbraw/zinc/45/29/42/846452942.db2.gz UENVROPHRRLAIT-ZDUSSCGKSA-N 1 0 397.260 3.738 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000421685784 846465764 /nfs/dbraw/zinc/46/57/64/846465764.db2.gz VVPFPBALUKHLDY-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000502812339 846494762 /nfs/dbraw/zinc/49/47/62/846494762.db2.gz QOHPMZFIJFATKH-SFHVURJKSA-N 1 0 381.442 3.621 20 30 GHEDRO COc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3C[C@@H](O)c3ccc(C#N)cc3)n2)c1 ZINC000366371533 846510196 /nfs/dbraw/zinc/51/01/96/846510196.db2.gz LPFJWBOYADGYST-FGZHOGPDSA-N 1 0 388.471 3.827 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2cccc(C#N)c2C)[NH+]2CCCC2)c1 ZINC000178548465 846617278 /nfs/dbraw/zinc/61/72/78/846617278.db2.gz UUOWOECYUAOZKG-NRFANRHFSA-N 1 0 378.476 3.834 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 ZINC000501085056 846627404 /nfs/dbraw/zinc/62/74/04/846627404.db2.gz MPYJBWBLNVRWLB-UHFFFAOYSA-N 1 0 394.523 3.601 20 30 GHEDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000421841139 846631134 /nfs/dbraw/zinc/63/11/34/846631134.db2.gz JUQHAPPTRMKION-KUHUBIRLSA-N 1 0 383.879 3.672 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000419619787 846687790 /nfs/dbraw/zinc/68/77/90/846687790.db2.gz QBGGHQWFDPEEIT-LEWJYISDSA-N 1 0 380.467 3.677 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178559692 846810269 /nfs/dbraw/zinc/81/02/69/846810269.db2.gz VKODDWXIRFAKMZ-MRXNPFEDSA-N 1 0 395.482 3.640 20 30 GHEDRO COc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(F)cc1C#N ZINC000599820269 861726824 /nfs/dbraw/zinc/72/68/24/861726824.db2.gz RZHFNOLAKSNGAR-MRXNPFEDSA-N 1 0 388.468 3.726 20 30 GHEDRO CC(C)(C)C[NH+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)(C)C ZINC000271758655 846911550 /nfs/dbraw/zinc/91/15/50/846911550.db2.gz OKURHIOKQWECSP-INIZCTEOSA-N 1 0 382.508 3.906 20 30 GHEDRO CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)n1CC(C)C ZINC000271807953 846925038 /nfs/dbraw/zinc/92/50/38/846925038.db2.gz ADLZVAOIVYSGJX-INIZCTEOSA-N 1 0 387.553 3.842 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1ccccc1[N+](=O)[O-] ZINC000511103676 846962664 /nfs/dbraw/zinc/96/26/64/846962664.db2.gz CDGNOHOYYRZSQS-UHFFFAOYSA-N 1 0 398.488 3.520 20 30 GHEDRO C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000501521984 846982337 /nfs/dbraw/zinc/98/23/37/846982337.db2.gz ZAUSFSUUNDQMAG-HZPDHXFCSA-N 1 0 381.442 3.619 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)nn1CCC#N ZINC000272065031 846983020 /nfs/dbraw/zinc/98/30/20/846983020.db2.gz JKTJDNYJMJPWMW-KRWDZBQOSA-N 1 0 394.523 3.659 20 30 GHEDRO N#CC(CC[NH2+][C@H]1CCOC12CCOCC2)(c1ccccc1)c1ccccc1 ZINC000934401500 847003558 /nfs/dbraw/zinc/00/35/58/847003558.db2.gz CHFOBKNXLGUSDI-QFIPXVFZSA-N 1 0 376.500 3.814 20 30 GHEDRO CCOc1ccc(NC(=O)CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000137099710 847054259 /nfs/dbraw/zinc/05/42/59/847054259.db2.gz LHAZOGCEZRBYQD-UHFFFAOYSA-N 1 0 393.487 3.829 20 30 GHEDRO CC1(C#N)CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000272607370 847123832 /nfs/dbraw/zinc/12/38/32/847123832.db2.gz RTBNIEWKOZIKEU-QGZVFWFLSA-N 1 0 379.426 3.822 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(C#N)c1C)[NH+]1CCCC1 ZINC000178576589 847189488 /nfs/dbraw/zinc/18/94/88/847189488.db2.gz QXRFNLZJFMXYMG-HXUWFJFHSA-N 1 0 378.476 3.834 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501858269 847283461 /nfs/dbraw/zinc/28/34/61/847283461.db2.gz UMZXXLUCLZVSOW-MSOLQXFVSA-N 1 0 389.540 3.513 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187761683 847291576 /nfs/dbraw/zinc/29/15/76/847291576.db2.gz DVZGCSOSSRSBGK-BEFAXECRSA-N 1 0 378.375 3.520 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000273465113 847346125 /nfs/dbraw/zinc/34/61/25/847346125.db2.gz NNMORZYIJUPOKB-LJQANCHMSA-N 1 0 389.544 3.522 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000513728101 847390659 /nfs/dbraw/zinc/39/06/59/847390659.db2.gz FFLAYLXUKCAEES-QTJFZDIUSA-N 1 0 385.414 3.753 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000513728100 847390956 /nfs/dbraw/zinc/39/09/56/847390956.db2.gz FFLAYLXUKCAEES-CAYVGHNUSA-N 1 0 385.414 3.753 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000422215115 847473533 /nfs/dbraw/zinc/47/35/33/847473533.db2.gz HQCQOCHFUJFTFG-SJLPKXTDSA-N 1 0 382.533 3.814 20 30 GHEDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000190385154 847529971 /nfs/dbraw/zinc/52/99/71/847529971.db2.gz BKLDSJBRHYNLSI-UHFFFAOYSA-N 1 0 389.908 3.501 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513785567 847559453 /nfs/dbraw/zinc/55/94/53/847559453.db2.gz OVRUOWGKMMNAKM-LJQANCHMSA-N 1 0 376.909 3.972 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261831560 847562901 /nfs/dbraw/zinc/56/29/01/847562901.db2.gz VJZXVHLIFNDWJV-LYYZXLFJSA-N 1 0 375.479 3.724 20 30 GHEDRO COc1cc(CN(C)C[C@@H]2CCC[N@@H+]2C)ccc1OCc1cccc(C#N)c1 ZINC000420994420 847616388 /nfs/dbraw/zinc/61/63/88/847616388.db2.gz CDHXDMVBDCBEON-NRFANRHFSA-N 1 0 379.504 3.672 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc2c(cc1F)CCC(=O)N2)C(C)C ZINC000503407120 847670748 /nfs/dbraw/zinc/67/07/48/847670748.db2.gz NWORBAFLDPUWAP-LJQANCHMSA-N 1 0 388.487 3.531 20 30 GHEDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000503460815 847714462 /nfs/dbraw/zinc/71/44/62/847714462.db2.gz KUKJEEFBFMIQRB-GPMSIDNRSA-N 1 0 375.538 3.594 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)Cc1ccccc1 ZINC000179861187 861821250 /nfs/dbraw/zinc/82/12/50/861821250.db2.gz ANQRUMUNTWSGIF-QFIPXVFZSA-N 1 0 375.516 3.925 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502317184 847726246 /nfs/dbraw/zinc/72/62/46/847726246.db2.gz AFRWVHSYCCLFSF-IBGZPJMESA-N 1 0 380.536 3.869 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421126014 847757768 /nfs/dbraw/zinc/75/77/68/847757768.db2.gz SSKUOMPNQANBOJ-UHFFFAOYSA-N 1 0 384.568 3.829 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1OC ZINC000623745773 861830654 /nfs/dbraw/zinc/83/06/54/861830654.db2.gz KBSVSBAIHXZSFZ-UHFFFAOYSA-N 1 0 380.916 3.652 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C3CCOCC3)C2)sc2c1CCCC2 ZINC000366841542 847875612 /nfs/dbraw/zinc/87/56/12/847875612.db2.gz AZHIMNQJMCRRHS-INIZCTEOSA-N 1 0 387.549 3.576 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000502493214 847954786 /nfs/dbraw/zinc/95/47/86/847954786.db2.gz CQASLCFLNURACO-UHFFFAOYSA-N 1 0 377.513 3.684 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000582694376 848051560 /nfs/dbraw/zinc/05/15/60/848051560.db2.gz MRYRVJHDGPKFPW-PZJWPPBQSA-N 1 0 397.567 3.826 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)ccc1OC ZINC000060947327 848114841 /nfs/dbraw/zinc/11/48/41/848114841.db2.gz UQNSBLCAQWVXRD-UHFFFAOYSA-N 1 0 386.467 3.617 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179953406 861867851 /nfs/dbraw/zinc/86/78/51/861867851.db2.gz JIULQYMCFAQNQP-UHFFFAOYSA-N 1 0 391.515 3.892 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C\c3ccccc3C#N)cc2F)CC1 ZINC000255539705 848251248 /nfs/dbraw/zinc/25/12/48/848251248.db2.gz YYEHEBSRUCZGFD-YFHOEESVSA-N 1 0 392.478 3.880 20 30 GHEDRO CC1CC[NH+](C2CCC([NH+]=C([O-])N3CC[C@H](n4cc(Cl)cn4)C3)CC2)CC1 ZINC000329648228 861898104 /nfs/dbraw/zinc/89/81/04/861898104.db2.gz JHQLKOBMPJITTO-ACBHZAAOSA-N 1 0 393.963 3.740 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000582813221 848445533 /nfs/dbraw/zinc/44/55/33/848445533.db2.gz JERFSAQCUWVOCJ-UHFFFAOYSA-N 1 0 383.448 3.621 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1OC ZINC000623753419 861906230 /nfs/dbraw/zinc/90/62/30/861906230.db2.gz YLVVCVIPYWIVHQ-GOEBONIOSA-N 1 0 382.298 3.680 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)[C@@H]1C ZINC001167629927 848571587 /nfs/dbraw/zinc/57/15/87/848571587.db2.gz NPKDEVYLBATMEQ-IAGOWNOFSA-N 1 0 376.504 3.897 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)CCC(C)(C)C#N)[NH2+][C@H](C)c1ccccc1 ZINC000582873127 848609238 /nfs/dbraw/zinc/60/92/38/848609238.db2.gz MSSLJYKJIOZZKI-IEBWSBKVSA-N 1 0 379.570 3.611 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000582890949 848642774 /nfs/dbraw/zinc/64/27/74/848642774.db2.gz VMRKBLCQODGIDJ-QGZVFWFLSA-N 1 0 383.521 3.747 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000582994676 848843244 /nfs/dbraw/zinc/84/32/44/848843244.db2.gz MYTBRCDMMWYVEW-MRXNPFEDSA-N 1 0 396.466 3.834 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427393297 849018132 /nfs/dbraw/zinc/01/81/32/849018132.db2.gz YGGZUXZMISCGBE-CQSZACIVSA-N 1 0 383.305 3.883 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000481667804 861971335 /nfs/dbraw/zinc/97/13/35/861971335.db2.gz KJLNZSBFQZUJGH-KSFYIVLOSA-N 1 0 397.544 3.927 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc(CC#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000583127564 849127565 /nfs/dbraw/zinc/12/75/65/849127565.db2.gz MSGGZUAWEHKZHO-VXKWHMMOSA-N 1 0 390.487 3.861 20 30 GHEDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000604230521 862000706 /nfs/dbraw/zinc/00/07/06/862000706.db2.gz FFOGXOQOEZKQDD-LJQANCHMSA-N 1 0 378.476 3.547 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccccc2SCC#N)cc1 ZINC000728552653 849330816 /nfs/dbraw/zinc/33/08/16/849330816.db2.gz FVSQZRVPXIBMFH-UHFFFAOYSA-N 1 0 383.517 3.563 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000583221808 849366149 /nfs/dbraw/zinc/36/61/49/849366149.db2.gz HOVDEFNKABQZPA-OAQYLSRUSA-N 1 0 380.492 3.964 20 30 GHEDRO N#Cc1cscc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000583276889 849513428 /nfs/dbraw/zinc/51/34/28/849513428.db2.gz WMQIEGUQYUSPHF-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO COc1cc(NC2CC[NH+](CCOc3ccccc3C#N)CC2)cc(OC)c1 ZINC000132372668 862035509 /nfs/dbraw/zinc/03/55/09/862035509.db2.gz XJMSBOMVYPRPPH-UHFFFAOYSA-N 1 0 381.476 3.531 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1CCCO1 ZINC000543497458 862039545 /nfs/dbraw/zinc/03/95/45/862039545.db2.gz SDWKKTYSIJFKLY-UXHICEINSA-N 1 0 398.482 3.591 20 30 GHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000504081131 849887462 /nfs/dbraw/zinc/88/74/62/849887462.db2.gz MXDUVVDYOIXNOO-HSZRJFAPSA-N 1 0 388.515 3.530 20 30 GHEDRO COc1cc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1Cl ZINC000435004883 849987803 /nfs/dbraw/zinc/98/78/03/849987803.db2.gz VLWKYGKWAKOJRY-UHFFFAOYSA-N 1 0 399.922 3.743 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435011516 849991490 /nfs/dbraw/zinc/99/14/90/849991490.db2.gz BYSMQNRNQVLJRN-UHFFFAOYSA-N 1 0 387.527 3.960 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000435033574 850017014 /nfs/dbraw/zinc/01/70/14/850017014.db2.gz KZFJJXDTVOMQOX-JOCHJYFZSA-N 1 0 375.516 3.659 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)c1 ZINC000435053755 850028474 /nfs/dbraw/zinc/02/84/74/850028474.db2.gz VUJYMGBOOSLQPR-JOCHJYFZSA-N 1 0 389.499 3.552 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1F ZINC000486809149 850113905 /nfs/dbraw/zinc/11/39/05/850113905.db2.gz FHYAVODQVYYNCD-UHFFFAOYSA-N 1 0 379.479 3.843 20 30 GHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)C1 ZINC000430137280 850159525 /nfs/dbraw/zinc/15/95/25/850159525.db2.gz KXHMXUMOQXHIGM-WOIUINJBSA-N 1 0 377.536 3.626 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)s1 ZINC000486863893 850179049 /nfs/dbraw/zinc/17/90/49/850179049.db2.gz DWHROGINCMLIEG-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424113214 850225523 /nfs/dbraw/zinc/22/55/23/850225523.db2.gz MKZQMRPUOMTAFF-XMSQKQJNSA-N 1 0 379.504 3.642 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000424146760 850248927 /nfs/dbraw/zinc/24/89/27/850248927.db2.gz XFKXNAVRSXYTRR-RCZSKKKRSA-N 1 0 380.488 3.864 20 30 GHEDRO COc1ccc(CNC(=O)C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000426473699 850329109 /nfs/dbraw/zinc/32/91/09/850329109.db2.gz FXFQUGZXQDMREW-UHFFFAOYSA-N 1 0 396.918 3.729 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000504877932 850394009 /nfs/dbraw/zinc/39/40/09/850394009.db2.gz XHJNORWPZMPPPA-IBGZPJMESA-N 1 0 390.531 3.927 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)cc1C#N ZINC000518972018 850426896 /nfs/dbraw/zinc/42/68/96/850426896.db2.gz HDJWKXOBFMKSGA-SFHVURJKSA-N 1 0 395.478 3.624 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000298053740 850468593 /nfs/dbraw/zinc/46/85/93/850468593.db2.gz FOINUUYIHSYQHU-QGZVFWFLSA-N 1 0 381.314 3.515 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3c(F)cc(C#N)cc3F)C2)s1 ZINC000514945584 850492363 /nfs/dbraw/zinc/49/23/63/850492363.db2.gz VBMIXTWWGQIOPT-AWEZNQCLSA-N 1 0 389.471 3.801 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[NH+](C)C ZINC000504984381 850506836 /nfs/dbraw/zinc/50/68/36/850506836.db2.gz CVJQCWKCJKVPBJ-DYVFJYSZSA-N 1 0 390.409 3.702 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000487175403 850517045 /nfs/dbraw/zinc/51/70/45/850517045.db2.gz ILLAVTRZQSVSNZ-HNNXBMFYSA-N 1 0 397.350 3.522 20 30 GHEDRO C[C@@H](NC(NCCc1nnc2ccccn21)=[NH+]C1CC1)c1cccc2ccccc21 ZINC000899892600 862150520 /nfs/dbraw/zinc/15/05/20/862150520.db2.gz DSYKSURLTQFNSW-QGZVFWFLSA-N 1 0 398.514 3.884 20 30 GHEDRO C=CCC1(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424751985 850663084 /nfs/dbraw/zinc/66/30/84/850663084.db2.gz WJRLODPLDPVJQP-VQIMIIECSA-N 1 0 394.918 3.961 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000487315227 850686245 /nfs/dbraw/zinc/68/62/45/850686245.db2.gz PYTDJCXLILNCOE-NQIIRXRSSA-N 1 0 394.515 3.900 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cc(Cl)cc(C#N)c2)CC1 ZINC000487325781 850696842 /nfs/dbraw/zinc/69/68/42/850696842.db2.gz NMTXABRXAXOSDG-UHFFFAOYSA-N 1 0 397.906 3.680 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(C#N)ccc3Cl)cc2)C[C@@H](C)O1 ZINC000505343972 850839564 /nfs/dbraw/zinc/83/95/64/850839564.db2.gz NKPXPKDJJOJBIX-HZPDHXFCSA-N 1 0 397.906 3.751 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000515267139 850843544 /nfs/dbraw/zinc/84/35/44/850843544.db2.gz JXAZHENFBITBTH-XERBYJISSA-N 1 0 391.490 3.920 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)Cc1ccccc1 ZINC000443913442 862184963 /nfs/dbraw/zinc/18/49/63/862184963.db2.gz ALJSAKRFSAZUKC-HXUWFJFHSA-N 1 0 388.515 3.848 20 30 GHEDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000434384318 851057747 /nfs/dbraw/zinc/05/77/47/851057747.db2.gz CVRWHLAHQNIMON-AWEZNQCLSA-N 1 0 383.402 3.933 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434426407 851091536 /nfs/dbraw/zinc/09/15/36/851091536.db2.gz VGACWOVUWPNNAQ-JOCHJYFZSA-N 1 0 389.499 3.884 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(NCc3ccc(C#N)cc3C(F)(F)F)c2)CC1 ZINC000515490594 851102235 /nfs/dbraw/zinc/10/22/35/851102235.db2.gz PKMKRXORPHMUDA-UHFFFAOYSA-N 1 0 388.437 3.937 20 30 GHEDRO C=CCOCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000645969274 851211124 /nfs/dbraw/zinc/21/11/24/851211124.db2.gz LFKUCXPXAYUPCZ-PKTZIBPZSA-N 1 0 378.516 3.529 20 30 GHEDRO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000550077535 851401917 /nfs/dbraw/zinc/40/19/17/851401917.db2.gz QHRRHSFZZXJJCP-UHFFFAOYSA-N 1 0 377.488 3.757 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604520864 862242623 /nfs/dbraw/zinc/24/26/23/862242623.db2.gz ZQDKWJWAVRUZRQ-NQSCKRDGSA-N 1 0 377.488 3.985 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000434667579 851457273 /nfs/dbraw/zinc/45/72/73/851457273.db2.gz WLDWMESIWAAAEP-INIZCTEOSA-N 1 0 375.538 3.548 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)cc1OCCCC#N ZINC000436370278 851525912 /nfs/dbraw/zinc/52/59/12/851525912.db2.gz MASLMYLXBDZOTK-LJQANCHMSA-N 1 0 379.504 3.776 20 30 GHEDRO C=CCN(C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC000664551865 851568187 /nfs/dbraw/zinc/56/81/87/851568187.db2.gz VLRGDCFEXFBUDF-QOKNQOGYSA-N 1 0 397.922 3.704 20 30 GHEDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1(C)C ZINC000436397187 851570091 /nfs/dbraw/zinc/57/00/91/851570091.db2.gz ZVOSORAODTZTRP-VWNXMTODSA-N 1 0 394.515 3.793 20 30 GHEDRO C=CCn1cccc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000488957283 851889391 /nfs/dbraw/zinc/88/93/91/851889391.db2.gz SXVHGKJZHCEARU-UHFFFAOYSA-N 1 0 387.911 3.601 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000438180224 852096573 /nfs/dbraw/zinc/09/65/73/852096573.db2.gz BKSYWSKYLNHUBO-OAHLLOKOSA-N 1 0 382.464 3.821 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n(-c2ccccn2)n1 ZINC000329801554 862330855 /nfs/dbraw/zinc/33/08/55/862330855.db2.gz YUJQBFKNYAXZPI-HZPDHXFCSA-N 1 0 382.512 3.518 20 30 GHEDRO CC1(C)CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H]1[C@H]1CCCO1 ZINC000329806767 862333537 /nfs/dbraw/zinc/33/35/37/862333537.db2.gz BFSVYOBXMUJZHG-JXUFBKJOSA-N 1 0 389.540 3.715 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 ZINC000329807783 862334384 /nfs/dbraw/zinc/33/43/84/862334384.db2.gz OXFAMJPOWYSJAM-RDTXWAMCSA-N 1 0 388.512 3.885 20 30 GHEDRO COc1cccc([C@@H](C#N)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1OC ZINC000729428740 852245863 /nfs/dbraw/zinc/24/58/63/852245863.db2.gz GXUYNEAJILRUPZ-HXUWFJFHSA-N 1 0 393.487 3.684 20 30 GHEDRO COc1ccc(CNC(NCc2ccc(N3CCCC3)nc2)=[NH+]C(C)(C)C)cc1 ZINC000912508875 852313401 /nfs/dbraw/zinc/31/34/01/852313401.db2.gz SEZONBAYNNKMSI-UHFFFAOYSA-N 1 0 395.551 3.724 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)CNc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000426770827 852374678 /nfs/dbraw/zinc/37/46/78/852374678.db2.gz WIGYJPJNTUBEII-SFHVURJKSA-N 1 0 376.504 3.750 20 30 GHEDRO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000438448832 852410189 /nfs/dbraw/zinc/41/01/89/852410189.db2.gz BGXXEESSDWBAKC-AUSIDOKSSA-N 1 0 390.531 3.872 20 30 GHEDRO N#CC1(NC(=O)c2cc3ccccc3cc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000436885186 852456393 /nfs/dbraw/zinc/45/63/93/852456393.db2.gz JERZIGPTQGZEFD-UHFFFAOYSA-N 1 0 385.467 3.834 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1C#N ZINC000489718016 852543569 /nfs/dbraw/zinc/54/35/69/852543569.db2.gz XQCSIVKDOFDZIY-AWEZNQCLSA-N 1 0 378.398 3.699 20 30 GHEDRO C=CCC[C@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccccc1 ZINC000489739719 852562640 /nfs/dbraw/zinc/56/26/40/852562640.db2.gz PGLJDQGATWPGOT-SFTDATJTSA-N 1 0 378.520 3.910 20 30 GHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000507110029 852568118 /nfs/dbraw/zinc/56/81/18/852568118.db2.gz HLFKELGGWBULCV-SFHVURJKSA-N 1 0 398.413 3.972 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(OC)c1 ZINC000029178118 852583619 /nfs/dbraw/zinc/58/36/19/852583619.db2.gz GNBBIDAFWRVRCG-NRFANRHFSA-N 1 0 394.515 3.756 20 30 GHEDRO COc1cc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)ccc1OCC[NH+](C)C ZINC000425678770 852602678 /nfs/dbraw/zinc/60/26/78/852602678.db2.gz KOLJIIVAIUMCSB-MRXNPFEDSA-N 1 0 396.491 3.732 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000427012240 852613097 /nfs/dbraw/zinc/61/30/97/852613097.db2.gz NVALAHOQXAJXTE-UHFFFAOYSA-N 1 0 377.875 3.914 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000505929157 852627049 /nfs/dbraw/zinc/62/70/49/852627049.db2.gz AMRJVDCMXBGRRX-OALUTQOASA-N 1 0 386.536 3.987 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000555996160 862378722 /nfs/dbraw/zinc/37/87/22/862378722.db2.gz FCFNAMJMEFFOCW-RTBURBONSA-N 1 0 385.552 3.538 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1OCCc2ccccc21 ZINC000507225991 852690047 /nfs/dbraw/zinc/69/00/47/852690047.db2.gz AVECWRWVAWPPNQ-XOBRGWDASA-N 1 0 383.879 3.784 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489998973 852696837 /nfs/dbraw/zinc/69/68/37/852696837.db2.gz QULJJZGIVJNNNH-LJQANCHMSA-N 1 0 375.476 3.570 20 30 GHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490039353 852720281 /nfs/dbraw/zinc/72/02/81/852720281.db2.gz KYXGURGXCNKRDV-GOSISDBHSA-N 1 0 395.503 3.993 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000518057483 852789005 /nfs/dbraw/zinc/78/90/05/852789005.db2.gz YNFCQLNHMDYBEF-GJZGRUSLSA-N 1 0 386.565 3.650 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 ZINC000466570554 862401931 /nfs/dbraw/zinc/40/19/31/862401931.db2.gz TYCWZTIEDSGPND-UHFFFAOYSA-N 1 0 388.418 3.585 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2nc3c(cc2C#N)COCC3)C1 ZINC000518084222 852838306 /nfs/dbraw/zinc/83/83/06/852838306.db2.gz AORXPSIQAFFDQM-ROUUACIJSA-N 1 0 390.531 3.538 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1)CC(F)(F)F ZINC000437844896 852845545 /nfs/dbraw/zinc/84/55/45/852845545.db2.gz IZYSFODILKDALW-CQSZACIVSA-N 1 0 391.384 3.866 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)([NH+](C)C)C1 ZINC000429596015 852914881 /nfs/dbraw/zinc/91/48/81/852914881.db2.gz VZTJZWDQVRQOBV-MBSDFSHPSA-N 1 0 393.535 3.704 20 30 GHEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507452039 852925517 /nfs/dbraw/zinc/92/55/17/852925517.db2.gz VTBXMRSLMMUCDC-UZLBHIALSA-N 1 0 392.459 3.573 20 30 GHEDRO N#CCCN(Cc1ccco1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000509559536 852959559 /nfs/dbraw/zinc/95/95/59/852959559.db2.gz LSQTWIHCXBMSEF-IBGZPJMESA-N 1 0 387.430 3.679 20 30 GHEDRO CC(C)(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(F)cc(C#N)c1 ZINC000506027277 852994470 /nfs/dbraw/zinc/99/44/70/852994470.db2.gz PENXLWYFTIWHSL-GOSISDBHSA-N 1 0 385.508 3.990 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)c1 ZINC000506032273 853010335 /nfs/dbraw/zinc/01/03/35/853010335.db2.gz WJBMJTGXAZYOGK-SFHVURJKSA-N 1 0 383.492 3.744 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000180954948 862424352 /nfs/dbraw/zinc/42/43/52/862424352.db2.gz ANQVHUFUUADNHA-HNNXBMFYSA-N 1 0 397.441 3.963 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437412651 853106728 /nfs/dbraw/zinc/10/67/28/853106728.db2.gz QSXOEWQFWWDBTN-YOEHRIQHSA-N 1 0 379.451 3.676 20 30 GHEDRO C[C@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516916420 853153910 /nfs/dbraw/zinc/15/39/10/853153910.db2.gz BIBMBIRZYSZCGC-SBUREZEXSA-N 1 0 376.504 3.975 20 30 GHEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000507725799 853236826 /nfs/dbraw/zinc/23/68/26/853236826.db2.gz OINDLSIWRDTIMD-UHFFFAOYSA-N 1 0 396.535 3.981 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000437541806 853260484 /nfs/dbraw/zinc/26/04/84/853260484.db2.gz SUPVVIMPXKIBAH-VXKWHMMOSA-N 1 0 399.579 3.959 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000437631710 853338409 /nfs/dbraw/zinc/33/84/09/853338409.db2.gz SHTXGNISMJLQQJ-FGZHOGPDSA-N 1 0 385.552 3.699 20 30 GHEDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329956626 862454469 /nfs/dbraw/zinc/45/44/69/862454469.db2.gz PRDWOZOXQBFSOM-HNNXBMFYSA-N 1 0 386.475 3.921 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000519714452 853420400 /nfs/dbraw/zinc/42/04/00/853420400.db2.gz XNCNQVZEVMHXBR-KRWDZBQOSA-N 1 0 376.508 3.675 20 30 GHEDRO C=C(CNC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000491057139 853429881 /nfs/dbraw/zinc/42/98/81/853429881.db2.gz DJQMGARWVVJIJW-SFHVURJKSA-N 1 0 396.510 3.651 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000029754317 853461919 /nfs/dbraw/zinc/46/19/19/853461919.db2.gz OATXNLRJAVYCOM-PKOBYXMFSA-N 1 0 397.544 3.976 20 30 GHEDRO Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@@H](c3ccccc3C)C2)n1C ZINC000261948039 853500692 /nfs/dbraw/zinc/50/06/92/853500692.db2.gz GLFRGAVIMHUXKO-LJQANCHMSA-N 1 0 394.567 3.700 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000506126763 853516409 /nfs/dbraw/zinc/51/64/09/853516409.db2.gz WAHBEEBPDIDNKJ-MRXNPFEDSA-N 1 0 385.393 3.999 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000586772799 853516846 /nfs/dbraw/zinc/51/68/46/853516846.db2.gz TWRLYLDPXRMNSU-QHCPKHFHSA-N 1 0 375.516 3.970 20 30 GHEDRO Cc1cccc(OCCNC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000519908901 853600789 /nfs/dbraw/zinc/60/07/89/853600789.db2.gz WVBZSDHDCPVAQB-UHFFFAOYSA-N 1 0 379.504 3.520 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000517307163 853622768 /nfs/dbraw/zinc/62/27/68/853622768.db2.gz RTFJYVZTXBEZDT-FYYLOGMGSA-N 1 0 391.515 3.915 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCOc4c(C)cccc43)c2)CC1 ZINC000329998284 862491365 /nfs/dbraw/zinc/49/13/65/862491365.db2.gz SAOPDYARKNZGII-OAQYLSRUSA-N 1 0 394.519 3.796 20 30 GHEDRO C=CCC[C@H](NC(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccc(C(F)(F)F)cc1 ZINC000440855245 853704026 /nfs/dbraw/zinc/70/40/26/853704026.db2.gz FMORFQYPMOQNJP-ROUUACIJSA-N 1 0 399.457 3.733 20 30 GHEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752014 853716759 /nfs/dbraw/zinc/71/67/59/853716759.db2.gz FDOTXRZTDQSCPK-MRXNPFEDSA-N 1 0 378.436 3.628 20 30 GHEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752013 853716783 /nfs/dbraw/zinc/71/67/83/853716783.db2.gz FDOTXRZTDQSCPK-INIZCTEOSA-N 1 0 378.436 3.628 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055241444 853753520 /nfs/dbraw/zinc/75/35/20/853753520.db2.gz RQLBOTWTVNWQHD-UHFFFAOYSA-N 1 0 391.924 3.530 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000571428604 853876696 /nfs/dbraw/zinc/87/66/96/853876696.db2.gz XUPCPKBHZPSXAH-UHFFFAOYSA-N 1 0 383.517 3.756 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000171604694 862509767 /nfs/dbraw/zinc/50/97/67/862509767.db2.gz UPGCVIBOCIHADI-UHFFFAOYSA-N 1 0 389.544 3.637 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c(O)c(OC)c1 ZINC000164370751 853916148 /nfs/dbraw/zinc/91/61/48/853916148.db2.gz WZSOBBDBOBFSDK-UHFFFAOYSA-N 1 0 396.487 3.836 20 30 GHEDRO Cc1ncc(CNc2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001168379195 853928189 /nfs/dbraw/zinc/92/81/89/853928189.db2.gz IDZOQKVPUZUXKO-UHFFFAOYSA-N 1 0 398.514 3.850 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000330039926 862524967 /nfs/dbraw/zinc/52/49/67/862524967.db2.gz BZIWDHCFDXZOOS-VQCLRJIVSA-N 1 0 393.890 3.805 20 30 GHEDRO Cc1cccc2c1ncc(C#N)c2NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000588050467 854075416 /nfs/dbraw/zinc/07/54/16/854075416.db2.gz UCOIGSBLNJITGR-UHFFFAOYSA-N 1 0 386.499 3.922 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000520412990 854184253 /nfs/dbraw/zinc/18/42/53/854184253.db2.gz IIWQWDVQDCQRCV-PKOBYXMFSA-N 1 0 388.830 3.794 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H](C)c1ccccc1)[n+]1ccccc1 ZINC000186963360 862542764 /nfs/dbraw/zinc/54/27/64/862542764.db2.gz ZFMSRTHKWMHZMY-AWEZNQCLSA-O 1 0 380.493 3.869 20 30 GHEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)Cc2ccccc2)nnc1-c1ccccc1 ZINC000588689198 854360145 /nfs/dbraw/zinc/36/01/45/854360145.db2.gz NCRFSUAFFGDHMB-HXUWFJFHSA-N 1 0 394.544 3.716 20 30 GHEDRO CSc1cc2c(cc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)OCCO2 ZINC000328604587 854480755 /nfs/dbraw/zinc/48/07/55/854480755.db2.gz ITJUSZYAVXODAJ-AWEZNQCLSA-N 1 0 379.526 3.531 20 30 GHEDRO Cc1oc(NC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156937457 854481447 /nfs/dbraw/zinc/48/14/47/854481447.db2.gz JJEIXMLVIXARIE-AEFFLSMTSA-N 1 0 385.464 3.668 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328695855 854512842 /nfs/dbraw/zinc/51/28/42/854512842.db2.gz DCPYHJXRYRKWOL-GFOFROLCSA-N 1 0 386.414 3.544 20 30 GHEDRO Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[N@H+](CC3CCCCC3)CC1)CCC2 ZINC000328697553 854513573 /nfs/dbraw/zinc/51/35/73/854513573.db2.gz HFNVUPSPZPNCEH-HXUWFJFHSA-N 1 0 387.572 3.571 20 30 GHEDRO Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)C2)[nH]n1 ZINC000328743775 854525023 /nfs/dbraw/zinc/52/50/23/854525023.db2.gz ONZLNVRMCDFTHS-MISYRCLQSA-N 1 0 381.524 3.647 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)cn21 ZINC000328758064 854529883 /nfs/dbraw/zinc/52/98/83/854529883.db2.gz VNOWZAUKWOEUKD-UHFFFAOYSA-N 1 0 384.528 3.976 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ncc(-c2ccccc2)o1 ZINC000328770321 854534928 /nfs/dbraw/zinc/53/49/28/854534928.db2.gz ABFMBKMZHIZGCA-QFBILLFUSA-N 1 0 382.508 3.980 20 30 GHEDRO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C(F)F ZINC000328814935 854546529 /nfs/dbraw/zinc/54/65/29/854546529.db2.gz CGHRMBLYTDFNKT-YOEHRIQHSA-N 1 0 395.498 3.971 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccco1 ZINC000671765141 854547301 /nfs/dbraw/zinc/54/73/01/854547301.db2.gz YMGKTKDUAUBCBP-HZPDHXFCSA-N 1 0 380.535 3.649 20 30 GHEDRO O=C(CCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)NC1CCCC1 ZINC000328794497 854560052 /nfs/dbraw/zinc/56/00/52/854560052.db2.gz SNAPBFDJASRBJN-UHFFFAOYSA-N 1 0 383.536 3.715 20 30 GHEDRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000056216177 854575927 /nfs/dbraw/zinc/57/59/27/854575927.db2.gz AOYWZRRSCRTPPV-IBGZPJMESA-N 1 0 382.552 3.858 20 30 GHEDRO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000328869633 854590397 /nfs/dbraw/zinc/59/03/97/854590397.db2.gz XUCCAMAPCBDKDU-NVXWUHKLSA-N 1 0 387.549 3.592 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)[C@@H]1c1ccccc1 ZINC000328887455 854598277 /nfs/dbraw/zinc/59/82/77/854598277.db2.gz ORAXNQVZXVHVGM-DYXWJJEUSA-N 1 0 383.467 3.988 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000328900033 854601364 /nfs/dbraw/zinc/60/13/64/854601364.db2.gz XWHUJEKGLMBFKP-IBGZPJMESA-N 1 0 389.540 3.509 20 30 GHEDRO O=C(N[C@H]1CCCc2c[nH]nc21)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000328941590 854609920 /nfs/dbraw/zinc/60/99/20/854609920.db2.gz SZGKKWODMXFVBE-FQEVSTJZSA-N 1 0 393.535 3.689 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1cccc(C)c1 ZINC000131243612 862586190 /nfs/dbraw/zinc/58/61/90/862586190.db2.gz WWEJTNCSPDGWSK-UHFFFAOYSA-O 1 0 379.958 3.827 20 30 GHEDRO COc1cc(Cl)c(Cl)cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000330126245 862597828 /nfs/dbraw/zinc/59/78/28/862597828.db2.gz BYNPMECNFXTSMK-UHFFFAOYSA-N 1 0 387.307 3.952 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)[C@@H](C)C1 ZINC000330977673 854789798 /nfs/dbraw/zinc/78/97/98/854789798.db2.gz KZNJHLIETKDJHZ-HNAYVOBHSA-N 1 0 375.513 3.804 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(Br)cc2OC)C1 ZINC000330994854 854792367 /nfs/dbraw/zinc/79/23/67/854792367.db2.gz SXPGIFOTLKJCRA-UONOGXRCSA-N 1 0 398.345 3.754 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccc(C(F)(F)F)cc3)C1=O)CC2 ZINC000589342270 854799215 /nfs/dbraw/zinc/79/92/15/854799215.db2.gz FVUCZIUMRUMOIY-RBUKOAKNSA-N 1 0 385.389 3.959 20 30 GHEDRO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000482013910 862609767 /nfs/dbraw/zinc/60/97/67/862609767.db2.gz CVRLETMORGYCMO-FYYLOGMGSA-N 1 0 392.499 3.968 20 30 GHEDRO CC[NH+]1CCC(n2nccc2NCc2cc(C#N)ccc2Br)CC1 ZINC000921662061 855054767 /nfs/dbraw/zinc/05/47/67/855054767.db2.gz SMZVFQKZEOMXMT-UHFFFAOYSA-N 1 0 388.313 3.786 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1CCC(C)C ZINC000669335394 855076012 /nfs/dbraw/zinc/07/60/12/855076012.db2.gz MBBJOBJWLRRDHS-AQNXPRMDSA-N 1 0 387.572 3.795 20 30 GHEDRO C[NH+]1CCC(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000589835222 855157495 /nfs/dbraw/zinc/15/74/95/855157495.db2.gz KBCKKZOSVZRFCJ-UHFFFAOYSA-N 1 0 381.451 3.947 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1 ZINC000106038050 855170855 /nfs/dbraw/zinc/17/08/55/855170855.db2.gz DAPXQBRNGNBOJK-UHFFFAOYSA-N 1 0 387.524 3.952 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000106037161 855171013 /nfs/dbraw/zinc/17/10/13/855171013.db2.gz WSXZBWZEZGVLBW-UHFFFAOYSA-N 1 0 377.326 3.637 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476605 855182749 /nfs/dbraw/zinc/18/27/49/855182749.db2.gz WOZHZULFHSVPKP-GOSISDBHSA-N 1 0 387.487 3.705 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590194659 855316715 /nfs/dbraw/zinc/31/67/15/855316715.db2.gz BNHBDSXHCRPPCI-SWLSCSKDSA-N 1 0 393.256 3.550 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3(CO)Cc4ccccc4C3)c2)c1 ZINC000553790447 855457023 /nfs/dbraw/zinc/45/70/23/855457023.db2.gz WLWCYSXOWTXTSU-UHFFFAOYSA-N 1 0 384.479 3.757 20 30 GHEDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000590556318 855474589 /nfs/dbraw/zinc/47/45/89/855474589.db2.gz CHJWDDMSOQZISH-UHFFFAOYSA-N 1 0 393.491 3.723 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)COc3ccc(C#N)cc3)cc2)C1 ZINC000107712472 855524598 /nfs/dbraw/zinc/52/45/98/855524598.db2.gz RRCIGWPYUGSCSE-KDURUIRLSA-N 1 0 391.515 3.731 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000181560901 855577373 /nfs/dbraw/zinc/57/73/73/855577373.db2.gz OTWYRLBROCSSCZ-UHFFFAOYSA-N 1 0 382.460 3.897 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1)C(C)C ZINC000056694493 855630022 /nfs/dbraw/zinc/63/00/22/855630022.db2.gz HAFFVKFJWLGIKJ-SFHVURJKSA-N 1 0 392.931 3.520 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC4(CCOC4)CC3)sc2C1 ZINC000591022115 855743205 /nfs/dbraw/zinc/74/32/05/855743205.db2.gz QMFLBGONQZVLMQ-OAHLLOKOSA-N 1 0 387.549 3.576 20 30 GHEDRO CCOC(=O)[C@@](C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000520601622 855762144 /nfs/dbraw/zinc/76/21/44/855762144.db2.gz BLLBLGZOLCOTGN-DEOSSOPVSA-N 1 0 391.515 3.638 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(C)cc1 ZINC000186981152 862717983 /nfs/dbraw/zinc/71/79/83/862717983.db2.gz MSEOMFKXTYMDDB-UHFFFAOYSA-O 1 0 383.537 3.934 20 30 GHEDRO C[C@H](NC(=O)N(C)CC1(O)CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330282310 862721192 /nfs/dbraw/zinc/72/11/92/862721192.db2.gz VGBZJOSBKBUPOV-FPOVZHCZSA-N 1 0 387.568 3.828 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000591156575 855800682 /nfs/dbraw/zinc/80/06/82/855800682.db2.gz ZDJHZGGNMRCSEB-OAQYLSRUSA-N 1 0 383.536 3.950 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000302067049 855811103 /nfs/dbraw/zinc/81/11/03/855811103.db2.gz BBTVPHOBEMYRKV-GASCZTMLSA-N 1 0 392.341 3.646 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3cc(C#N)ccc3C(C)=O)cc2F)CC1 ZINC000302129623 855820851 /nfs/dbraw/zinc/82/08/51/855820851.db2.gz XPZUZOUWTVOLHE-UHFFFAOYSA-N 1 0 380.467 3.654 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3cc(C#N)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302226476 855841464 /nfs/dbraw/zinc/84/14/64/855841464.db2.gz WEBUWYXBMJBXJL-UHFFFAOYSA-N 1 0 380.448 3.799 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC([NH2+]C(C)C)CC2)c1C#N ZINC000108369609 855846686 /nfs/dbraw/zinc/84/66/86/855846686.db2.gz SQGMSBBTFPERGW-UHFFFAOYSA-N 1 0 399.583 3.883 20 30 GHEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1 ZINC000591278283 855881391 /nfs/dbraw/zinc/88/13/91/855881391.db2.gz CPIKMHNIOBITAZ-BOUXLOLZSA-N 1 0 398.894 3.575 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000591286369 855885343 /nfs/dbraw/zinc/88/53/43/855885343.db2.gz VMOCPIILYJMWMC-HHXXYDBFSA-N 1 0 380.517 3.958 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000108592575 855951010 /nfs/dbraw/zinc/95/10/10/855951010.db2.gz ZQPRJDNCWZJNKL-GMAHTHKFSA-N 1 0 391.515 3.742 20 30 GHEDRO CC1CCN([C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)c2cccs2)CC1 ZINC000123149874 855962499 /nfs/dbraw/zinc/96/24/99/855962499.db2.gz AQPPLFIMGVUFKA-IBGZPJMESA-N 1 0 379.533 3.830 20 30 GHEDRO C[C@H](c1nc(-c2ccccc2)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415685 855966310 /nfs/dbraw/zinc/96/63/10/855966310.db2.gz LVDRGNNFDGFKIW-GOSISDBHSA-N 1 0 387.487 3.877 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000485034277 856028207 /nfs/dbraw/zinc/02/82/07/856028207.db2.gz PAAZWRPDDBCXAU-UHFFFAOYSA-N 1 0 383.536 3.610 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000459128302 856068006 /nfs/dbraw/zinc/06/80/06/856068006.db2.gz TWHKYHPEVHQGDV-KRWDZBQOSA-N 1 0 386.515 3.883 20 30 GHEDRO O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]CC#Cc1cccc(C(F)(F)F)c1 ZINC000905026263 856137838 /nfs/dbraw/zinc/13/78/38/856137838.db2.gz RLPYEUREOWAYPZ-UXHICEINSA-N 1 0 377.406 3.521 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000171556096 856183612 /nfs/dbraw/zinc/18/36/12/856183612.db2.gz QHYFYWPFUHAFSE-HNNXBMFYSA-N 1 0 394.357 3.720 20 30 GHEDRO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000303962047 856214820 /nfs/dbraw/zinc/21/48/20/856214820.db2.gz ZZQJKGGALBHUDO-SVFBPWRDSA-N 1 0 375.557 3.635 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000591763754 856231553 /nfs/dbraw/zinc/23/15/53/856231553.db2.gz HLAZPDBEYGNXCM-YJBOKZPZSA-N 1 0 377.271 3.882 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3cccc(C#N)c3)CC2)c1C ZINC000171693161 856233742 /nfs/dbraw/zinc/23/37/42/856233742.db2.gz NFVNOMFNZIYAPP-UHFFFAOYSA-N 1 0 378.520 3.675 20 30 GHEDRO N#CCn1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc2ccccc21 ZINC000591799286 856283424 /nfs/dbraw/zinc/28/34/24/856283424.db2.gz LCRYCQJPBJQQQM-NZQKXSOJSA-N 1 0 384.483 3.511 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(C)sc1C ZINC000507816971 856356896 /nfs/dbraw/zinc/35/68/96/856356896.db2.gz ZCRCBAXMKNSCOF-UHFFFAOYSA-N 1 0 377.583 3.858 20 30 GHEDRO CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000109786044 856370545 /nfs/dbraw/zinc/37/05/45/856370545.db2.gz BHDRDUAEJHHNCM-UHFFFAOYSA-N 1 0 388.581 3.633 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000109851003 856383164 /nfs/dbraw/zinc/38/31/64/856383164.db2.gz SNJBHTOTTHVIHZ-KRWDZBQOSA-N 1 0 395.528 3.822 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000591864091 856392163 /nfs/dbraw/zinc/39/21/63/856392163.db2.gz UOPVNSFMLYHHID-FXAWDEMLSA-N 1 0 376.460 3.908 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000624836258 856446818 /nfs/dbraw/zinc/44/68/18/856446818.db2.gz GMUYRZXFLCLGIS-UYAOXDASSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000624840953 856454643 /nfs/dbraw/zinc/45/46/43/856454643.db2.gz VZZUUAOAMJQWII-UYAOXDASSA-N 1 0 387.572 3.797 20 30 GHEDRO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086667 856513982 /nfs/dbraw/zinc/51/39/82/856513982.db2.gz FDURIVVNYQZLPA-UHFFFAOYSA-N 1 0 390.531 3.508 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172676803 856534696 /nfs/dbraw/zinc/53/46/96/856534696.db2.gz HHCUQRINDHIAFK-NQIIRXRSSA-N 1 0 397.544 3.540 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000507881178 856623245 /nfs/dbraw/zinc/62/32/45/856623245.db2.gz FEGAAFMWIGZQHI-IBGZPJMESA-N 1 0 378.451 3.754 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000485475488 856640453 /nfs/dbraw/zinc/64/04/53/856640453.db2.gz FXPPARMJEHZDRL-UHFFFAOYSA-N 1 0 395.572 3.512 20 30 GHEDRO N#Cc1cc(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)c[nH]1 ZINC000485482423 856656621 /nfs/dbraw/zinc/65/66/21/856656621.db2.gz REPIWDFKUKKRJU-UHFFFAOYSA-N 1 0 399.498 3.503 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000592185091 856684646 /nfs/dbraw/zinc/68/46/46/856684646.db2.gz VNCADYQSYGHIIL-PMACEKPBSA-N 1 0 383.536 3.830 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)c(C#N)c1C ZINC000592139464 856688597 /nfs/dbraw/zinc/68/85/97/856688597.db2.gz FZLWQSCGTLLWSI-FQEVSTJZSA-N 1 0 397.544 3.838 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000173141364 856760193 /nfs/dbraw/zinc/76/01/93/856760193.db2.gz IFAZAZFKTFJVHZ-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000592301918 856772026 /nfs/dbraw/zinc/77/20/26/856772026.db2.gz FADANGWYUICWPS-IFMALSPDSA-N 1 0 385.552 3.836 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3cc(C#N)ccc3C)CC2)c1 ZINC000058452739 856781925 /nfs/dbraw/zinc/78/19/25/856781925.db2.gz QAUVUEPFENMNCF-UHFFFAOYSA-N 1 0 391.519 3.509 20 30 GHEDRO CCCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCc2ncsc2C1 ZINC000592189465 856792848 /nfs/dbraw/zinc/79/28/48/856792848.db2.gz VNTUOQXACSHIKU-OAHLLOKOSA-N 1 0 386.521 3.823 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Cc1ccc(F)cc1C ZINC000592391605 856829260 /nfs/dbraw/zinc/82/92/60/856829260.db2.gz IHENXPINUQMJHP-SIKLNZKXSA-N 1 0 379.479 3.578 20 30 GHEDRO C[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000508045052 856850108 /nfs/dbraw/zinc/85/01/08/856850108.db2.gz NENJJKXLDVBDOB-MRXNPFEDSA-N 1 0 379.508 3.683 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)c2ccc(Br)cc2)CC1 ZINC000592499642 856903103 /nfs/dbraw/zinc/90/31/03/856903103.db2.gz VRDIUORUMFFLPY-UHFFFAOYSA-N 1 0 380.330 3.634 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000111523987 856943365 /nfs/dbraw/zinc/94/33/65/856943365.db2.gz CIHINUGIVFCXJP-DHIUTWEWSA-N 1 0 388.515 3.579 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1)CC(C)C ZINC000508155602 857008554 /nfs/dbraw/zinc/00/85/54/857008554.db2.gz YRLPOZQDMIDYKT-UHFFFAOYSA-N 1 0 394.567 3.938 20 30 GHEDRO CC(C)N(C(=O)c1ncc(C#N)cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592694607 857029079 /nfs/dbraw/zinc/02/90/79/857029079.db2.gz IWCZJHGLCGWJHU-SFHVURJKSA-N 1 0 382.895 3.732 20 30 GHEDRO C=CCOCCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000658209758 857042942 /nfs/dbraw/zinc/04/29/42/857042942.db2.gz KBPQOBBPBAHDHX-HXUWFJFHSA-N 1 0 395.471 3.640 20 30 GHEDRO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944973 857052553 /nfs/dbraw/zinc/05/25/53/857052553.db2.gz JEUGVABDZSOJFC-IEBWSBKVSA-N 1 0 397.544 3.547 20 30 GHEDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485768649 857055682 /nfs/dbraw/zinc/05/56/82/857055682.db2.gz FAEIVVHZHSGEDE-HXUWFJFHSA-N 1 0 393.487 3.593 20 30 GHEDRO N#C[C@@]1(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC2CCC1CC2 ZINC000906436329 857078634 /nfs/dbraw/zinc/07/86/34/857078634.db2.gz LBENQWYARVWFLF-DLUKIOLESA-N 1 0 377.532 3.756 20 30 GHEDRO C=CCC1([NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCOCC1 ZINC000668552479 857112003 /nfs/dbraw/zinc/11/20/03/857112003.db2.gz MZLOQPHVUTZQQJ-MSOLQXFVSA-N 1 0 382.504 3.699 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000173787280 857149194 /nfs/dbraw/zinc/14/91/94/857149194.db2.gz CGIOLXMNGZIARF-NRFANRHFSA-N 1 0 391.515 3.941 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)cc1 ZINC000593050417 857201249 /nfs/dbraw/zinc/20/12/49/857201249.db2.gz JLMWRXKDCQNSNH-OAQYLSRUSA-N 1 0 388.467 3.811 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c1C#N ZINC000174172512 857220324 /nfs/dbraw/zinc/22/03/24/857220324.db2.gz UDRLGLMWIQWIOJ-UHFFFAOYSA-N 1 0 394.519 3.794 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000174393469 857285314 /nfs/dbraw/zinc/28/53/14/857285314.db2.gz ZRLIDYKZNFWBSM-UHFFFAOYSA-N 1 0 397.548 3.582 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000246291996 857343931 /nfs/dbraw/zinc/34/39/31/857343931.db2.gz BCDMFWSGJWSIEP-FDDCHVKYSA-N 1 0 391.515 3.937 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000246461723 857386041 /nfs/dbraw/zinc/38/60/41/857386041.db2.gz WOGQYCFKFOOQIR-QUCCMNQESA-N 1 0 397.544 3.618 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C ZINC001168757793 857404913 /nfs/dbraw/zinc/40/49/13/857404913.db2.gz LBRHUDIXSJXMQN-UYAOXDASSA-N 1 0 385.552 3.843 20 30 GHEDRO COC(=O)[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000246613941 857418070 /nfs/dbraw/zinc/41/80/70/857418070.db2.gz YHIJGDWYYCPXLE-DFQSSKMNSA-N 1 0 383.517 3.507 20 30 GHEDRO COC(=O)[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000246613998 857418118 /nfs/dbraw/zinc/41/81/18/857418118.db2.gz YHIJGDWYYCPXLE-SXLOBPIMSA-N 1 0 383.517 3.507 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000246645903 857421180 /nfs/dbraw/zinc/42/11/80/857421180.db2.gz YXKDUKLIQCVLHP-YPGOJHLTSA-N 1 0 394.494 3.653 20 30 GHEDRO CN(C)C(=O)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCCC1 ZINC000113348729 857439297 /nfs/dbraw/zinc/43/92/97/857439297.db2.gz JMDALFVZMJJWNY-UHFFFAOYSA-N 1 0 391.515 3.875 20 30 GHEDRO COc1ccc([C@H](CNC(=O)NCC2(C#N)CCCC2)[NH+]2CCCCC2)cc1 ZINC000593294592 857457809 /nfs/dbraw/zinc/45/78/09/857457809.db2.gz NTBVXPYVRLCJBE-FQEVSTJZSA-N 1 0 384.524 3.605 20 30 GHEDRO Cc1ccccc1-n1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000592498926 857574799 /nfs/dbraw/zinc/57/47/99/857574799.db2.gz JHWLHVLIAABVNZ-UHFFFAOYSA-N 1 0 399.498 3.903 20 30 GHEDRO CCOc1ccc(CCC2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)cc1 ZINC000592497315 857588831 /nfs/dbraw/zinc/58/88/31/857588831.db2.gz RUNZMUXGDLHXLX-UHFFFAOYSA-N 1 0 389.503 3.844 20 30 GHEDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486274251 857611199 /nfs/dbraw/zinc/61/11/99/857611199.db2.gz ZZFVQZMJCDNFJA-NJNPRVFISA-N 1 0 376.504 3.829 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC=C(c3ccccn3)C1)CCC2 ZINC000574337198 857677133 /nfs/dbraw/zinc/67/71/33/857677133.db2.gz NXKYFLSYUUPPMU-UHFFFAOYSA-N 1 0 378.501 3.621 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000521212673 857738255 /nfs/dbraw/zinc/73/82/55/857738255.db2.gz HTLLRWZUEZBZOB-UWJYYQICSA-N 1 0 376.460 3.875 20 30 GHEDRO CCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000594019842 857839702 /nfs/dbraw/zinc/83/97/02/857839702.db2.gz ADBMUHDPJSVDSD-FQEVSTJZSA-N 1 0 384.568 3.745 20 30 GHEDRO C[C@@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1ccc(C#N)cc1 ZINC000521300614 857848163 /nfs/dbraw/zinc/84/81/63/857848163.db2.gz BCKPYZWHPSAVPB-GOSISDBHSA-N 1 0 398.551 3.732 20 30 GHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)c1ccccc1 ZINC000676456997 857898104 /nfs/dbraw/zinc/89/81/04/857898104.db2.gz MKHNNEMTNHJZPZ-LJQANCHMSA-N 1 0 395.503 3.519 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(-c2ccccc2)c1C(F)F ZINC000594134729 857953907 /nfs/dbraw/zinc/95/39/07/857953907.db2.gz PZOHCPYQMUPWGV-UHFFFAOYSA-N 1 0 390.438 3.509 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)oc1C ZINC000281322746 862971166 /nfs/dbraw/zinc/97/11/66/862971166.db2.gz PGRAVUAQWOVBIK-GOSISDBHSA-N 1 0 389.459 3.664 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000594291395 858030333 /nfs/dbraw/zinc/03/03/33/858030333.db2.gz VBHJBWNXADCQGV-APWZRJJASA-N 1 0 398.304 3.652 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CCCCC#N)CC1 ZINC000594359394 858103613 /nfs/dbraw/zinc/10/36/13/858103613.db2.gz CFYMJYZPPSFGJM-UHFFFAOYSA-N 1 0 392.341 3.956 20 30 GHEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000442788855 858134854 /nfs/dbraw/zinc/13/48/54/858134854.db2.gz JEIDNJMYNMFZOD-PZJWPPBQSA-N 1 0 377.488 3.837 20 30 GHEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594431435 858175178 /nfs/dbraw/zinc/17/51/78/858175178.db2.gz MLHXQXVIGSVMIF-NHCUHLMSSA-N 1 0 383.467 3.646 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000594434878 858176718 /nfs/dbraw/zinc/17/67/18/858176718.db2.gz VIWWBLFUVCZAPT-IFMALSPDSA-N 1 0 377.488 3.628 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000594442215 858178358 /nfs/dbraw/zinc/17/83/58/858178358.db2.gz BZTNDTSNBLCPFW-GOSISDBHSA-N 1 0 384.867 3.942 20 30 GHEDRO COc1ccc([C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2Cl)cc1 ZINC000594447694 858179140 /nfs/dbraw/zinc/17/91/40/858179140.db2.gz VJJPVQOAFAGQQQ-PMACEKPBSA-N 1 0 385.895 3.965 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000594449992 858179892 /nfs/dbraw/zinc/17/98/92/858179892.db2.gz QQNKJVYXETVPMZ-QZTJIDSGSA-N 1 0 392.341 3.784 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000594496876 858192595 /nfs/dbraw/zinc/19/25/95/858192595.db2.gz YDHKHVAERFFVGQ-QFIPXVFZSA-N 1 0 381.495 3.790 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594506925 858197075 /nfs/dbraw/zinc/19/70/75/858197075.db2.gz YVDNNDVPENBCIF-ZIAGYGMSSA-N 1 0 385.537 3.655 20 30 GHEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000594516651 858206816 /nfs/dbraw/zinc/20/68/16/858206816.db2.gz SXWFHPDMSQGAOX-INIZCTEOSA-N 1 0 383.517 3.539 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)ccc1S(C)(=O)=O ZINC000594517582 858207002 /nfs/dbraw/zinc/20/70/02/858207002.db2.gz ZIOVFRANQVKAJB-HNNXBMFYSA-N 1 0 384.501 3.700 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H](C[C@@H]3CCCO3)C(F)(F)F)CC2)cc1 ZINC000594519780 858207797 /nfs/dbraw/zinc/20/77/97/858207797.db2.gz LLHYDZPDZIETPH-OALUTQOASA-N 1 0 381.442 3.612 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2)CC1 ZINC000594918774 858305272 /nfs/dbraw/zinc/30/52/72/858305272.db2.gz SGFIRLJWFNDXAV-NRFANRHFSA-N 1 0 375.472 3.649 20 30 GHEDRO N#Cc1ccc(OCC[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000066830890 858316475 /nfs/dbraw/zinc/31/64/75/858316475.db2.gz VMHBCVFUKOYXCC-UHFFFAOYSA-N 1 0 398.894 3.830 20 30 GHEDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000594959468 858345864 /nfs/dbraw/zinc/34/58/64/858345864.db2.gz DJWZTPPAVRQPBH-YRTUYQHASA-N 1 0 382.529 3.917 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)cc2)CC1 ZINC000594958497 858345923 /nfs/dbraw/zinc/34/59/23/858345923.db2.gz UFYADTSJKZQBEE-QGZVFWFLSA-N 1 0 379.426 3.665 20 30 GHEDRO COc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000521822617 858355694 /nfs/dbraw/zinc/35/56/94/858355694.db2.gz ZIGBWNLWTMJFIO-UHFFFAOYSA-N 1 0 379.504 3.683 20 30 GHEDRO C=CCc1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc(OC)c1O ZINC000594983133 858356628 /nfs/dbraw/zinc/35/66/28/858356628.db2.gz FUQVPXNLGYNVOE-UHFFFAOYSA-N 1 0 378.472 3.796 20 30 GHEDRO N#Cc1cccc(OCC[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000059402970 858361905 /nfs/dbraw/zinc/36/19/05/858361905.db2.gz GADSNIPSGAJTBW-FQEVSTJZSA-N 1 0 378.476 3.613 20 30 GHEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000595056743 858366148 /nfs/dbraw/zinc/36/61/48/858366148.db2.gz VQQJCRRNNHMLCQ-WOJBJXKFSA-N 1 0 387.483 3.688 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000521834602 858371617 /nfs/dbraw/zinc/37/16/17/858371617.db2.gz DFHBTCDHNBRLSW-VFNWGFHPSA-N 1 0 378.476 3.565 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000443091573 858371721 /nfs/dbraw/zinc/37/17/21/858371721.db2.gz FBXKBPVYDZMSKT-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO N#Cc1ccc(NC(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)cc1Cl ZINC000059424701 858377499 /nfs/dbraw/zinc/37/74/99/858377499.db2.gz RJDMLEIWFHKGPS-UHFFFAOYSA-N 1 0 388.943 3.738 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281419293 863016855 /nfs/dbraw/zinc/01/68/55/863016855.db2.gz DDDNLJCFGWUWIW-CVDCTZTESA-N 1 0 392.547 3.744 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000595097359 858418903 /nfs/dbraw/zinc/41/89/03/858418903.db2.gz UFZPUJPVCFPXGU-JKYAZJQKSA-N 1 0 379.548 3.624 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC000466136257 858426355 /nfs/dbraw/zinc/42/63/55/858426355.db2.gz XTVZXZXWOTXAEN-FDFHNCONSA-N 1 0 380.536 3.744 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)CC2)cc1 ZINC000595236225 858448892 /nfs/dbraw/zinc/44/88/92/858448892.db2.gz XHYHCTJQIHEPCU-JOCHJYFZSA-N 1 0 388.471 3.540 20 30 GHEDRO C[C@]1(C#N)CCN(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000595452371 858536104 /nfs/dbraw/zinc/53/61/04/858536104.db2.gz JVJCDQXNQZOUIZ-LJQANCHMSA-N 1 0 394.441 3.615 20 30 GHEDRO C[C@]1(C#N)CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000595500711 858546035 /nfs/dbraw/zinc/54/60/35/858546035.db2.gz KIWIKCJHSYGMIN-HSZRJFAPSA-N 1 0 382.552 3.666 20 30 GHEDRO C[C@H]1CN(CCc2ccc(C#N)cc2)C(C)(C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595505135 858547226 /nfs/dbraw/zinc/54/72/26/858547226.db2.gz NOJKRKZWPXCFFT-FQEVSTJZSA-N 1 0 386.543 4.000 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000595582388 858559295 /nfs/dbraw/zinc/55/92/95/858559295.db2.gz UPSMHEVNUBDTFF-MYGLTJDJSA-N 1 0 380.536 3.622 20 30 GHEDRO N#CC[C@@H]1CCCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000595620179 858618727 /nfs/dbraw/zinc/61/87/27/858618727.db2.gz JYWQRNPVALPBTQ-FQEVSTJZSA-N 1 0 377.488 3.507 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1ccc(C#N)cc1 ZINC000595602377 858628384 /nfs/dbraw/zinc/62/83/84/858628384.db2.gz UXGGLDZNJLSKKX-QFIPXVFZSA-N 1 0 390.531 3.701 20 30 GHEDRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)ccc2c1 ZINC000595613306 858630712 /nfs/dbraw/zinc/63/07/12/858630712.db2.gz AJDLSMWYRCMBCV-ROUUACIJSA-N 1 0 379.504 3.821 20 30 GHEDRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639475 858634956 /nfs/dbraw/zinc/63/49/56/858634956.db2.gz IVMFHYPTOATFQM-UHFFFAOYSA-N 1 0 385.489 3.568 20 30 GHEDRO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000595717356 858656601 /nfs/dbraw/zinc/65/66/01/858656601.db2.gz MXUUSGZBGVVEKH-UHFFFAOYSA-N 1 0 396.491 3.942 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1=CCSC1 ZINC000595895131 858709470 /nfs/dbraw/zinc/70/94/70/858709470.db2.gz CQCFRPFHBHRWRA-UHFFFAOYSA-N 1 0 375.563 3.822 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3nc4c(s3)CCCC4)CC2)c1 ZINC000593133691 858742160 /nfs/dbraw/zinc/74/21/60/858742160.db2.gz BEZYOGVOFXNHKZ-UHFFFAOYSA-N 1 0 395.532 3.680 20 30 GHEDRO COc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)[NH+](C)C)cc1OC ZINC000596054563 858758316 /nfs/dbraw/zinc/75/83/16/858758316.db2.gz MCAICXULCXCPHR-QGZVFWFLSA-N 1 0 384.436 3.507 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000596063575 858768725 /nfs/dbraw/zinc/76/87/25/858768725.db2.gz OGAPMDNYBMFRJW-JOCHJYFZSA-N 1 0 397.563 3.870 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3nc4ncccc4cc3C#N)cc2)C[C@H](C)O1 ZINC000596077875 858774728 /nfs/dbraw/zinc/77/47/28/858774728.db2.gz CQBPIRMHKOKGDE-IRXDYDNUSA-N 1 0 387.487 3.723 20 30 GHEDRO CN1C(=O)c2ccc(Cl)cc2NC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000067963782 858803807 /nfs/dbraw/zinc/80/38/07/858803807.db2.gz IXZDOGBXJAJZGK-UHFFFAOYSA-N 1 0 380.879 3.701 20 30 GHEDRO C=CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213578 858817147 /nfs/dbraw/zinc/81/71/47/858817147.db2.gz XMDNQFNJQIDAQZ-SFHVURJKSA-N 1 0 385.475 3.597 20 30 GHEDRO N#Cc1cc2cccnc2nc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000596242392 858826807 /nfs/dbraw/zinc/82/68/07/858826807.db2.gz PGVBHBUWYGDGCC-UHFFFAOYSA-N 1 0 383.499 3.994 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cc(F)c(F)cc3F)CC2)c1 ZINC000593158155 858833797 /nfs/dbraw/zinc/83/37/97/858833797.db2.gz XSYZUCCALACFKJ-UHFFFAOYSA-N 1 0 388.393 3.762 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000596309390 858853283 /nfs/dbraw/zinc/85/32/83/858853283.db2.gz WBGHKJXXVGQYKM-QAPCUYQASA-N 1 0 394.441 3.615 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]Cc1ccc(CC#N)cc1)CCO2 ZINC000922207900 858928130 /nfs/dbraw/zinc/92/81/30/858928130.db2.gz LBPNOPZSIWVAJG-HXUWFJFHSA-N 1 0 399.535 3.791 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)CC1 ZINC000184414822 858930518 /nfs/dbraw/zinc/93/05/18/858930518.db2.gz JUYZTEABQXMFPJ-UHFFFAOYSA-N 1 0 396.539 3.727 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC)C(C)C ZINC000184712102 858985863 /nfs/dbraw/zinc/98/58/63/858985863.db2.gz NDZOXLHGSMLURV-OAQYLSRUSA-N 1 0 398.551 3.806 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000596695788 859011559 /nfs/dbraw/zinc/01/15/59/859011559.db2.gz BQUGPCVBZWFHNW-OAQYLSRUSA-N 1 0 392.503 3.937 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CC2(C#N)CCOCC2)cc1 ZINC000596705355 859021083 /nfs/dbraw/zinc/02/10/83/859021083.db2.gz KOOCYROEVRZHAD-UHFFFAOYSA-N 1 0 391.515 3.742 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000483032601 859080047 /nfs/dbraw/zinc/08/00/47/859080047.db2.gz ZWXRJOTWGIBJJV-UGKGYDQZSA-N 1 0 397.563 3.533 20 30 GHEDRO C#Cc1ccc(C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000923166367 859093713 /nfs/dbraw/zinc/09/37/13/859093713.db2.gz NRNDXTDEJUWMQO-QHCPKHFHSA-N 1 0 388.511 3.612 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000596893442 859130812 /nfs/dbraw/zinc/13/08/12/859130812.db2.gz ZCFYXLMQWQIJFS-UHFFFAOYSA-N 1 0 383.536 3.778 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1(C#N)CCCCC1 ZINC000596866543 859145482 /nfs/dbraw/zinc/14/54/82/859145482.db2.gz NQCVTAYOOFMZAF-HXUWFJFHSA-N 1 0 383.540 3.552 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000593247964 859207977 /nfs/dbraw/zinc/20/79/77/859207977.db2.gz FVFQCFJCLOXIRD-UHFFFAOYSA-N 1 0 382.895 3.675 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)c(F)c1 ZINC000597126765 859314418 /nfs/dbraw/zinc/31/44/18/859314418.db2.gz JGYRJWWNSYGJMW-OAQYLSRUSA-N 1 0 396.462 3.908 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCOC3CCCCC3)CC2)c1 ZINC000593297778 859325651 /nfs/dbraw/zinc/32/56/51/859325651.db2.gz LGUUEIIXKVAXQZ-UHFFFAOYSA-N 1 0 398.551 3.561 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCCc3ccccc3)CC2)c1 ZINC000593299617 859342502 /nfs/dbraw/zinc/34/25/02/859342502.db2.gz DOZUGHMRGWHQDE-UHFFFAOYSA-N 1 0 390.531 3.845 20 30 GHEDRO CCOC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000113935351 859409262 /nfs/dbraw/zinc/40/92/62/859409262.db2.gz BJXLXEWOZSRTIW-QGZVFWFLSA-N 1 0 377.916 3.644 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000597289663 859411152 /nfs/dbraw/zinc/41/11/52/859411152.db2.gz DAPHPMVQTDNASJ-XIKOKIGWSA-N 1 0 375.444 3.711 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000764472856 859460725 /nfs/dbraw/zinc/46/07/25/859460725.db2.gz UYMQXYYEISMSSG-UHFFFAOYSA-N 1 0 386.805 3.909 20 30 GHEDRO C[N@H+](CCNC(=O)Nc1cc(C#N)ccc1OC(F)F)Cc1ccc(F)cc1 ZINC000483651497 859510334 /nfs/dbraw/zinc/51/03/34/859510334.db2.gz ZHFORRUCECBVMP-UHFFFAOYSA-N 1 0 392.381 3.552 20 30 GHEDRO Cc1ccc(C[C@@H](C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593351576 859528949 /nfs/dbraw/zinc/52/89/49/859528949.db2.gz MMNQLTGXCVZPIN-LJQANCHMSA-N 1 0 375.516 3.826 20 30 GHEDRO Cc1oc2ccccc2c1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593351664 859530418 /nfs/dbraw/zinc/53/04/18/859530418.db2.gz PLXJXRKWGDKHMZ-UHFFFAOYSA-N 1 0 387.483 3.936 20 30 GHEDRO Cc1[nH]c2ccccc2c1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352778 859535728 /nfs/dbraw/zinc/53/57/28/859535728.db2.gz BSSRBEPLWMEFLO-UHFFFAOYSA-N 1 0 386.499 3.671 20 30 GHEDRO C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593352645 859536192 /nfs/dbraw/zinc/53/61/92/859536192.db2.gz KJBHTEKPQYOWBZ-HTAPYJJXSA-N 1 0 391.515 3.988 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2Cc3cccc(C#N)c3C2)[C@@H]1c1cccs1 ZINC000593353662 859548874 /nfs/dbraw/zinc/54/88/74/859548874.db2.gz MQVSZNJDLHAWRI-OXJNMPFZSA-N 1 0 380.517 3.728 20 30 GHEDRO Cc1ccccc1SCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593354047 859550787 /nfs/dbraw/zinc/55/07/87/859550787.db2.gz VQPUSPQJKGPYAZ-UHFFFAOYSA-N 1 0 379.529 3.740 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(OC(F)F)c3)CC2)c1 ZINC000593354360 859552748 /nfs/dbraw/zinc/55/27/48/859552748.db2.gz ZGHLIAVQHWHNMR-UHFFFAOYSA-N 1 0 385.414 3.554 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)CC3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000597481666 859568579 /nfs/dbraw/zinc/56/85/79/859568579.db2.gz WJIOKYACJNQGBQ-RBBKRZOGSA-N 1 0 381.520 3.953 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000780562640 859620986 /nfs/dbraw/zinc/62/09/86/859620986.db2.gz GSANOWITQRKYGH-LJQANCHMSA-N 1 0 386.540 3.916 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2CN=Nc2ncnc3ccsc32)CC1 ZINC000764841403 859637246 /nfs/dbraw/zinc/63/72/46/859637246.db2.gz PTASKBVLOXTFMP-UHFFFAOYSA-N 1 0 386.912 3.543 20 30 GHEDRO CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(Br)cc1C#N ZINC001141816893 859643324 /nfs/dbraw/zinc/64/33/24/859643324.db2.gz OHEBPXJHPDUFKP-UHFFFAOYSA-N 1 0 382.302 3.667 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@H]1C ZINC000611226812 859650899 /nfs/dbraw/zinc/65/08/99/859650899.db2.gz OBQACUQGANAWGH-CVEARBPZSA-N 1 0 379.464 3.692 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000611260931 859671159 /nfs/dbraw/zinc/67/11/59/859671159.db2.gz ZDXYZUIMLRUBHD-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000611266682 859673937 /nfs/dbraw/zinc/67/39/37/859673937.db2.gz NTFMZPXGBCBZSD-GOSISDBHSA-N 1 0 384.483 3.795 20 30 GHEDRO C[C@@H](O)[C@](C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000552065670 859686627 /nfs/dbraw/zinc/68/66/27/859686627.db2.gz JRQATOLDUJKYAP-DVECYGJZSA-N 1 0 377.532 3.746 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)N2Cc3cccc(C#N)c3C2)C[N@@H+]1Cc1ccccc1 ZINC000593383950 859695095 /nfs/dbraw/zinc/69/50/95/859695095.db2.gz CGUGTGXFRSHMEQ-ICSRJNTNSA-N 1 0 388.515 3.884 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000597640077 859701341 /nfs/dbraw/zinc/70/13/41/859701341.db2.gz VBURGRSMZYGWLZ-GOSISDBHSA-N 1 0 377.916 3.550 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(C#N)c1 ZINC000611386306 859730789 /nfs/dbraw/zinc/73/07/89/859730789.db2.gz LOTUBWCSKHAVLN-GFCCVEGCSA-N 1 0 383.300 3.990 20 30 GHEDRO COc1ccc([C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000611390238 859740529 /nfs/dbraw/zinc/74/05/29/859740529.db2.gz LJCMEAOVJLAXCG-ZEQRLZLVSA-N 1 0 391.515 3.607 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@@H](C[N@@H+](C)CC)C2)c1=S ZINC000765035910 859742934 /nfs/dbraw/zinc/74/29/34/859742934.db2.gz FFEWUEQWFSWMBK-HNNXBMFYSA-N 1 0 377.583 3.560 20 30 GHEDRO COCc1cccc(OCC2(C[NH+]3CCN([C@H](C#N)C(C)C)CC3)CCC2)c1 ZINC000611431966 859753928 /nfs/dbraw/zinc/75/39/28/859753928.db2.gz ITSVXOMBPJRPJN-JOCHJYFZSA-N 1 0 385.552 3.548 20 30 GHEDRO CN(C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602073413 859754551 /nfs/dbraw/zinc/75/45/51/859754551.db2.gz GDOKEFUJSQXZAE-LAUBAEHRSA-N 1 0 396.535 3.540 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCCCC3(F)F)CC2)c1 ZINC000593409391 859764724 /nfs/dbraw/zinc/76/47/24/859764724.db2.gz OSUCTFGLMLZLDF-GOSISDBHSA-N 1 0 390.478 3.647 20 30 GHEDRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000543462865 859781562 /nfs/dbraw/zinc/78/15/62/859781562.db2.gz DOUMWAIMZDZDPD-UGSOOPFHSA-N 1 0 391.899 3.640 20 30 GHEDRO N#CC1(NC(=O)CSCc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000611498619 859785643 /nfs/dbraw/zinc/78/56/43/859785643.db2.gz YJBIPKDFRFPKIQ-UHFFFAOYSA-N 1 0 397.519 3.733 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N1CCC(Nc2ccccc2C#N)CC1)c1ccccc1 ZINC000602182707 859841638 /nfs/dbraw/zinc/84/16/38/859841638.db2.gz HYAYONRMYRAMJV-QFIPXVFZSA-N 1 0 376.504 3.654 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000597861902 859877868 /nfs/dbraw/zinc/87/78/68/859877868.db2.gz XYBOZZPKQPTLGE-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000668330604 859895141 /nfs/dbraw/zinc/89/51/41/859895141.db2.gz VQZXIQIGFKJDIF-LBPRGKRZSA-N 1 0 386.311 3.800 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000484307563 859933890 /nfs/dbraw/zinc/93/38/90/859933890.db2.gz LGKVDLUWZODHBS-OAQYLSRUSA-N 1 0 393.487 3.705 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000765382784 859942421 /nfs/dbraw/zinc/94/24/21/859942421.db2.gz VHJBCQLQEUCPFJ-FQEVSTJZSA-N 1 0 390.527 3.973 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091862679 859946570 /nfs/dbraw/zinc/94/65/70/859946570.db2.gz LZQVSTCDAGJMQF-UHFFFAOYSA-N 1 0 387.480 3.769 20 30 GHEDRO N#CCC1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000598022673 859999817 /nfs/dbraw/zinc/99/98/17/859999817.db2.gz HGPDGFAWUPYDGH-FCHUYYIVSA-N 1 0 393.918 3.928 20 30 GHEDRO C=CCSCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001127877610 860010453 /nfs/dbraw/zinc/01/04/53/860010453.db2.gz PZPUBVXJCGFULK-RTBURBONSA-N 1 0 386.586 3.999 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C2CCN(c3ccc(C#N)cn3)CC2)c(O)c1 ZINC000727265475 860020382 /nfs/dbraw/zinc/02/03/82/860020382.db2.gz QPEOFTPLZYTDHU-LFVJCYFKSA-N 1 0 377.492 3.593 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H](c4ccccc4)C3)CC2)c1 ZINC000593510682 860050482 /nfs/dbraw/zinc/05/04/82/860050482.db2.gz AKJOCOJVCWHOIL-QFIPXVFZSA-N 1 0 388.515 3.722 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(Cc4ccc(F)cc4Cl)C3)n2c1 ZINC000123718689 860053418 /nfs/dbraw/zinc/05/34/18/860053418.db2.gz BGRFZWJFINRZRG-SFHVURJKSA-N 1 0 397.885 3.753 20 30 GHEDRO Cc1ccc(F)c(CN(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593512991 860082332 /nfs/dbraw/zinc/08/23/32/860082332.db2.gz BNKQUTNSNXNOSY-UHFFFAOYSA-N 1 0 394.494 3.812 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](CCC(N)=O)C3)c2)c1 ZINC000092660529 860099705 /nfs/dbraw/zinc/09/97/05/860099705.db2.gz MRJLYRYTFGDRDO-SFHVURJKSA-N 1 0 377.488 3.615 20 30 GHEDRO C[C@H]1CC[C@]2(CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C2)C1 ZINC000593514417 860102329 /nfs/dbraw/zinc/10/23/29/860102329.db2.gz WVRJCPXAYCOTQJ-MBSDFSHPSA-N 1 0 380.536 3.744 20 30 GHEDRO CC(C)(C)n1ncc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(Cl)c1=O ZINC000593515947 860107290 /nfs/dbraw/zinc/10/72/90/860107290.db2.gz UGNTUAOADDMMBK-UHFFFAOYSA-N 1 0 399.926 3.600 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000602561062 860112872 /nfs/dbraw/zinc/11/28/72/860112872.db2.gz QPCCXXKMLZNCSM-CABCVRRESA-N 1 0 381.314 3.905 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001170389230 881503435 /nfs/dbraw/zinc/50/34/35/881503435.db2.gz NOVAIQSAYKHVTL-GTMAMOSYSA-N 1 0 394.540 3.939 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000598195974 860140070 /nfs/dbraw/zinc/14/00/70/860140070.db2.gz YCLNJFZESYVVSC-JOCHJYFZSA-N 1 0 375.516 3.877 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000602586272 860150574 /nfs/dbraw/zinc/15/05/74/860150574.db2.gz ORCLBZNOSBROOP-LJQANCHMSA-N 1 0 390.531 3.833 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000602619110 860157405 /nfs/dbraw/zinc/15/74/05/860157405.db2.gz MAFXUQHKJZFNOM-YJBOKZPZSA-N 1 0 383.458 3.997 20 30 GHEDRO CC(C)[C@H]1N(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC12CCC2 ZINC000593518509 860162293 /nfs/dbraw/zinc/16/22/93/860162293.db2.gz WLSLFSLNCVVHEE-OAQYLSRUSA-N 1 0 380.536 3.743 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508944677 860187755 /nfs/dbraw/zinc/18/77/55/860187755.db2.gz GLOCUIBCMCLRPA-KRWDZBQOSA-N 1 0 378.524 3.781 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3(C4(O)CCOCC4)CC3)c2)c1 ZINC000922597283 860287945 /nfs/dbraw/zinc/28/79/45/860287945.db2.gz MRKUVTMWOBOMFG-UHFFFAOYSA-N 1 0 392.499 3.549 20 30 GHEDRO CC(C)(C)OC(=O)NCCOCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170371944 881532906 /nfs/dbraw/zinc/53/29/06/881532906.db2.gz PLLLQFOUSBFTCN-UHFFFAOYSA-N 1 0 387.524 3.521 20 30 GHEDRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908259 860341503 /nfs/dbraw/zinc/34/15/03/860341503.db2.gz BQEPAQXOKGDGRX-OXQOHEQNSA-N 1 0 394.544 3.946 20 30 GHEDRO C[NH+]1CCC(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC000727980958 860348804 /nfs/dbraw/zinc/34/88/04/860348804.db2.gz WXMDGSNUOOXPAA-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO C[NH+](C)CC[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1cccnc1 ZINC000922631658 860361085 /nfs/dbraw/zinc/36/10/85/860361085.db2.gz XNEUIRSGLOXVQC-JOCHJYFZSA-N 1 0 388.519 3.641 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000598561340 860397680 /nfs/dbraw/zinc/39/76/80/860397680.db2.gz PXBQSYAISXTXCV-IBGZPJMESA-N 1 0 393.487 3.582 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC001170372156 881534610 /nfs/dbraw/zinc/53/46/10/881534610.db2.gz ZEHPOTPIHDZIIL-UHFFFAOYSA-N 1 0 388.515 3.680 20 30 GHEDRO COC(=O)c1csc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000552244735 860408760 /nfs/dbraw/zinc/40/87/60/860408760.db2.gz IQQQCAPRNDDBPC-CJNGLKHVSA-N 1 0 387.480 3.865 20 30 GHEDRO CC(C)[N@H+](C[C@@H](O)COc1cccc2ccccc21)C[C@@H](O)CC(C)(C)C#N ZINC000598589275 860435294 /nfs/dbraw/zinc/43/52/94/860435294.db2.gz HIZULZQFBGDPGR-VQTJNVASSA-N 1 0 384.520 3.591 20 30 GHEDRO CC[C@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000921557080 860466863 /nfs/dbraw/zinc/46/68/63/860466863.db2.gz LBTLEMMSAQFCFN-IBGZPJMESA-N 1 0 383.517 3.862 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000922697458 860485075 /nfs/dbraw/zinc/48/50/75/860485075.db2.gz OAQPPBNRBJKCQB-RTBURBONSA-N 1 0 381.442 3.612 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)CC1 ZINC000730030205 860491095 /nfs/dbraw/zinc/49/10/95/860491095.db2.gz XRAYUHJCKWCSMR-IBGZPJMESA-N 1 0 391.943 3.933 20 30 GHEDRO CC(=O)N1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000598680057 860498973 /nfs/dbraw/zinc/49/89/73/860498973.db2.gz RVJQFYSEIVAXJM-GZNCHQMQSA-N 1 0 390.487 3.731 20 30 GHEDRO COc1ccc(C(=O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000155424512 860508763 /nfs/dbraw/zinc/50/87/63/860508763.db2.gz HUXMJYZGMTYLIZ-UHFFFAOYSA-N 1 0 378.472 3.931 20 30 GHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000155571709 860547097 /nfs/dbraw/zinc/54/70/97/860547097.db2.gz BGCIAXHBKSNUKV-GOSISDBHSA-N 1 0 394.482 3.598 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000484969117 860555961 /nfs/dbraw/zinc/55/59/61/860555961.db2.gz KJLKCDOYHXAEPR-OAQYLSRUSA-N 1 0 395.528 3.612 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)c(-c2ccncc2)n1 ZINC000922776954 860571613 /nfs/dbraw/zinc/57/16/13/860571613.db2.gz VYTHGFLKQFFJSK-PMACEKPBSA-N 1 0 393.441 3.997 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000624982653 860612339 /nfs/dbraw/zinc/61/23/39/860612339.db2.gz OQIBSKSZBBGLJP-TZIWHRDSSA-N 1 0 395.551 3.725 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000156028578 860659963 /nfs/dbraw/zinc/65/99/63/860659963.db2.gz VRESTTOKKDPUMQ-UHFFFAOYSA-N 1 0 389.459 3.652 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3ncc(Br)cc3F)CC2)c1 ZINC000599098538 860794457 /nfs/dbraw/zinc/79/44/57/860794457.db2.gz WPKFNMIQWSHNHC-UHFFFAOYSA-N 1 0 389.272 3.931 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000072882770 860848320 /nfs/dbraw/zinc/84/83/20/860848320.db2.gz UAIXNKYZKLWDLZ-UHFFFAOYSA-N 1 0 376.504 3.917 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)c1)O[C@@H](C)C2 ZINC000593692657 860856754 /nfs/dbraw/zinc/85/67/54/860856754.db2.gz HZGJPLSJWGDQCZ-KRWDZBQOSA-N 1 0 391.515 3.644 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2cc(Br)ccc2s1 ZINC000599165588 860865699 /nfs/dbraw/zinc/86/56/99/860865699.db2.gz UBJDWTKVMHFVGL-UHFFFAOYSA-N 1 0 394.338 3.971 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509081782 860875635 /nfs/dbraw/zinc/87/56/35/860875635.db2.gz UEIWJTLQYHOUNZ-UHFFFAOYSA-N 1 0 392.341 3.565 20 30 GHEDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693175 860903513 /nfs/dbraw/zinc/90/35/13/860903513.db2.gz RLNVAJGKGPZSRV-CPJSRVTESA-N 1 0 388.559 3.948 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NCc3ncc(C(F)(F)F)s3)CC2)c1 ZINC000593693444 860905107 /nfs/dbraw/zinc/90/51/07/860905107.db2.gz ZRLHIBQAZXYOEN-UHFFFAOYSA-N 1 0 380.439 3.788 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)C2=O)cc1 ZINC000603629583 860932429 /nfs/dbraw/zinc/93/24/29/860932429.db2.gz UEWIYDBIDRLGND-PXNSSMCTSA-N 1 0 386.455 3.684 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000329034694 860965474 /nfs/dbraw/zinc/96/54/74/860965474.db2.gz MKRBTTUVWKGORA-SFTDATJTSA-N 1 0 383.536 3.646 20 30 GHEDRO CC(C)C[C@H](C)Oc1cc(CNC(=O)N2CCCC23CC[NH+](C)CC3)ccn1 ZINC000329063430 860986652 /nfs/dbraw/zinc/98/66/52/860986652.db2.gz KFBMCSDLVWLJSB-SFHVURJKSA-N 1 0 388.556 3.869 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2cc(F)cc3c2OCOC3)C1 ZINC000329073700 860995940 /nfs/dbraw/zinc/99/59/40/860995940.db2.gz AYTVWTLAPPEEEL-GASCZTMLSA-N 1 0 378.488 3.948 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)ccc1OC ZINC000761334914 861025243 /nfs/dbraw/zinc/02/52/43/861025243.db2.gz JKGDSLHHZLKCKK-OAQYLSRUSA-N 1 0 394.515 3.931 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)CCOCC1 ZINC000599308828 861027559 /nfs/dbraw/zinc/02/75/59/861027559.db2.gz BRPODUSHQXKBNR-KRWDZBQOSA-N 1 0 396.453 3.956 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCc2ccc(O)c(OC)c2)cc1OC ZINC000623419993 861037578 /nfs/dbraw/zinc/03/75/78/861037578.db2.gz IRFLUEPAKBTMBN-UHFFFAOYSA-N 1 0 377.868 3.960 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)cc1OC ZINC000600115723 861053315 /nfs/dbraw/zinc/05/33/15/861053315.db2.gz JRNXTNIIMJBWRP-HNNXBMFYSA-N 1 0 379.884 3.689 20 30 GHEDRO O=C(NCc1ccccc1)NC1(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCCC1 ZINC000329137010 861055692 /nfs/dbraw/zinc/05/56/92/861055692.db2.gz DAOOFKIELJHEDP-LJQANCHMSA-N 1 0 398.551 3.976 20 30 GHEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000329159082 861078420 /nfs/dbraw/zinc/07/84/20/861078420.db2.gz DBZOHUPRIOYWHA-BMFZPTHFSA-N 1 0 378.542 3.542 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000599344641 861079123 /nfs/dbraw/zinc/07/91/23/861079123.db2.gz HEUMZKQRPYLMIW-NEPJUHHUSA-N 1 0 375.271 3.854 20 30 GHEDRO Cc1nn2c(CN3CCC(NC(=O)CC4CCCC4)CC3)c(C)nc2s1 ZINC000329167855 861093582 /nfs/dbraw/zinc/09/35/82/861093582.db2.gz IVIPORAMIHVBAM-UHFFFAOYSA-N 1 0 375.542 3.909 20 30 GHEDRO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000329170039 861099696 /nfs/dbraw/zinc/09/96/96/861099696.db2.gz JWLUBUUXQUHIIX-WIYYLYMNSA-N 1 0 383.536 3.739 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000185651932 861118297 /nfs/dbraw/zinc/11/82/97/861118297.db2.gz SLYPDMFXBFSCJG-YPMHNXCESA-N 1 0 393.413 3.612 20 30 GHEDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)COc3ccccc3C#N)oc21 ZINC000599358806 861122666 /nfs/dbraw/zinc/12/26/66/861122666.db2.gz LXRVMJVYTSOLFG-MAUKXSAKSA-N 1 0 380.444 3.794 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(F)c(Br)c1 ZINC000599362835 861129168 /nfs/dbraw/zinc/12/91/68/861129168.db2.gz SHGMOHVNVCNXNZ-DOMZBBRYSA-N 1 0 393.256 3.550 20 30 GHEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c(C(F)(F)F)c1 ZINC000599396270 861134262 /nfs/dbraw/zinc/13/42/62/861134262.db2.gz SWZOCDLILIMAGP-HXUWFJFHSA-N 1 0 390.405 3.731 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000329212757 861151480 /nfs/dbraw/zinc/15/14/80/861151480.db2.gz IGQKDKKNLJAYNO-CTNGQTDRSA-N 1 0 385.552 3.987 20 30 GHEDRO Cc1cc2ncc(C(=O)Nc3cccc(N4CC[NH+](C(C)C)CC4)c3)c(C)n2n1 ZINC000329212335 861151613 /nfs/dbraw/zinc/15/16/13/861151613.db2.gz ZUZXQQUBEFTKPS-UHFFFAOYSA-N 1 0 392.507 3.513 20 30 GHEDRO COc1cc2ccccc2cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000603759671 861160374 /nfs/dbraw/zinc/16/03/74/861160374.db2.gz TYJIQEMGZDDMKR-UHFFFAOYSA-N 1 0 387.483 3.924 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2cnnc3ccccc23)c1C ZINC000733747999 863142359 /nfs/dbraw/zinc/14/23/59/863142359.db2.gz AYXFTMOHVSFHCO-IBGZPJMESA-N 1 0 376.508 3.978 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000733801339 863169716 /nfs/dbraw/zinc/16/97/16/863169716.db2.gz XGOJNWQLADGBCZ-SFHVURJKSA-N 1 0 390.443 3.776 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(O[C@@H](C#N)CC)c1 ZINC000733802881 863171563 /nfs/dbraw/zinc/17/15/63/863171563.db2.gz QWGBHNJVDPOMCS-WOJBJXKFSA-N 1 0 386.540 3.821 20 30 GHEDRO C=C[C@H](CC(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000567980250 863182578 /nfs/dbraw/zinc/18/25/78/863182578.db2.gz VVTHMRKJGRMJFX-CTNGQTDRSA-N 1 0 392.547 3.734 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160013623 863230206 /nfs/dbraw/zinc/23/02/06/863230206.db2.gz VYNACPMFEXFNIN-NQIIRXRSSA-N 1 0 397.544 3.540 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000522775182 863255345 /nfs/dbraw/zinc/25/53/45/863255345.db2.gz BIUCDGQJAUPOLE-HNNXBMFYSA-N 1 0 380.439 3.936 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000160124072 863328494 /nfs/dbraw/zinc/32/84/94/863328494.db2.gz HUZNMAFZMJWKIM-QRWLVFNGSA-N 1 0 380.467 3.975 20 30 GHEDRO C=CCc1cc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cc(OC)c1O ZINC000160130531 863340312 /nfs/dbraw/zinc/34/03/12/863340312.db2.gz KUFAAHDOXCRMLT-UHFFFAOYSA-N 1 0 383.492 3.609 20 30 GHEDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160184817 863388461 /nfs/dbraw/zinc/38/84/61/863388461.db2.gz TWNJKLXJYLVGPL-IEBWSBKVSA-N 1 0 394.494 3.697 20 30 GHEDRO CCN(CC)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482630561 863404828 /nfs/dbraw/zinc/40/48/28/863404828.db2.gz AXKOYVMYRYRKOQ-UHFFFAOYSA-N 1 0 390.531 3.821 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000593945203 863441715 /nfs/dbraw/zinc/44/17/15/863441715.db2.gz RWOIRLYSWRZMBP-MBSDFSHPSA-N 1 0 391.515 3.699 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1c(F)cccc1F ZINC000593961928 863516090 /nfs/dbraw/zinc/51/60/90/863516090.db2.gz PZUVKEMTHTWITD-UHFFFAOYSA-N 1 0 385.458 3.750 20 30 GHEDRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(C#N)cn2)cc1 ZINC000593970606 863556647 /nfs/dbraw/zinc/55/66/47/863556647.db2.gz YSPWUZGYXUGYIF-UHFFFAOYSA-N 1 0 375.476 3.641 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593986709 863667926 /nfs/dbraw/zinc/66/79/26/863667926.db2.gz IFTSTMATWKMFRF-AUSIDOKSSA-N 1 0 375.516 3.717 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccc(N4CCCCC4)nc3)CCC2)cc1 ZINC000594033582 863834292 /nfs/dbraw/zinc/83/42/92/863834292.db2.gz UUIWPJLLXVZRAT-UHFFFAOYSA-N 1 0 389.503 3.551 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](CCCC)CC2)cc1 ZINC000158722716 863930328 /nfs/dbraw/zinc/93/03/28/863930328.db2.gz OVTYTADBXONYGB-UHFFFAOYSA-N 1 0 398.551 3.887 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000609205652 881726299 /nfs/dbraw/zinc/72/62/99/881726299.db2.gz NGNCUVXKXPFHLL-UHFFFAOYSA-N 1 0 394.519 3.792 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000734215199 864088979 /nfs/dbraw/zinc/08/89/79/864088979.db2.gz FHYQWLVJOGZQOE-QFIPXVFZSA-N 1 0 391.515 3.643 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000554389431 864230285 /nfs/dbraw/zinc/23/02/85/864230285.db2.gz PJIKCDUBALVMKB-BBRMVZONSA-N 1 0 396.413 3.590 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000920135989 881746503 /nfs/dbraw/zinc/74/65/03/881746503.db2.gz RONPGHBHNBHWQR-GOSISDBHSA-N 1 0 378.472 3.781 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000554410649 864281961 /nfs/dbraw/zinc/28/19/61/864281961.db2.gz FZGINISBEQDNFQ-MRXNPFEDSA-N 1 0 391.313 3.803 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)c(C)c2c1 ZINC000184331679 864369677 /nfs/dbraw/zinc/36/96/77/864369677.db2.gz MBNMOWLGDTVDQP-DOTOQJQBSA-N 1 0 380.444 3.712 20 30 GHEDRO C=CC[C@H](NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000734684598 864382918 /nfs/dbraw/zinc/38/29/18/864382918.db2.gz WEGYMFFLQYLKAF-YADHBBJMSA-N 1 0 393.535 3.790 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000554485627 864405317 /nfs/dbraw/zinc/40/53/17/864405317.db2.gz AZBGZZHFQYCIIO-QFIPXVFZSA-N 1 0 378.451 3.827 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000063282558 864443364 /nfs/dbraw/zinc/44/33/64/864443364.db2.gz ZIKVZMIPQFJEQK-UHFFFAOYSA-N 1 0 380.448 3.799 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734844142 864472574 /nfs/dbraw/zinc/47/25/74/864472574.db2.gz VWDPOGWXUFWYBP-PMACEKPBSA-N 1 0 377.406 3.713 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC000163652738 864548656 /nfs/dbraw/zinc/54/86/56/864548656.db2.gz GZYFKQVGHCQNRK-XLIONFOSSA-N 1 0 390.959 3.557 20 30 GHEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309875 864734294 /nfs/dbraw/zinc/73/42/94/864734294.db2.gz MMLMVAXNGMHUFR-CVEARBPZSA-N 1 0 377.916 3.759 20 30 GHEDRO CN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475300997 864736731 /nfs/dbraw/zinc/73/67/31/864736731.db2.gz BGVXFARIRCTMLK-NRFANRHFSA-N 1 0 379.529 3.524 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](CCC)CC1 ZINC000508793059 864754068 /nfs/dbraw/zinc/75/40/68/864754068.db2.gz OORPOGXCQJRSSC-INIZCTEOSA-N 1 0 389.931 3.790 20 30 GHEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000475311940 864766376 /nfs/dbraw/zinc/76/63/76/864766376.db2.gz AJFMOOPQKRNAJK-UHFFFAOYSA-N 1 0 378.476 3.630 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000184816889 864964815 /nfs/dbraw/zinc/96/48/15/864964815.db2.gz YJJJZYQOWVWTMN-HXUWFJFHSA-N 1 0 391.471 3.831 20 30 GHEDRO N#CCCCCc1nc(-c2cc3c([nH]c2=O)CC[N@@H+](Cc2ccccc2)C3)no1 ZINC000897260190 864995787 /nfs/dbraw/zinc/99/57/87/864995787.db2.gz WAPFIQBXEPVVNS-UHFFFAOYSA-N 1 0 389.459 3.632 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)ccn1 ZINC000594110027 865020417 /nfs/dbraw/zinc/02/04/17/865020417.db2.gz BODIBJGNTSOBSI-SFTDATJTSA-N 1 0 391.475 3.884 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1C#N ZINC000567467849 865051767 /nfs/dbraw/zinc/05/17/67/865051767.db2.gz SGEQVXPYFMPTBM-RXVVDRJESA-N 1 0 398.551 3.921 20 30 GHEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCCC2)c1)N[C@@H]1CCOc2ccccc21 ZINC000262495745 865071331 /nfs/dbraw/zinc/07/13/31/865071331.db2.gz JYTOAQDXGOQNIO-HXUWFJFHSA-N 1 0 392.503 3.743 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc(F)c1F ZINC001143605072 865163119 /nfs/dbraw/zinc/16/31/19/865163119.db2.gz JIEPMAZJSXZTDP-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000554953592 865233617 /nfs/dbraw/zinc/23/36/17/865233617.db2.gz FBRMBMVRUBNJDN-ZOCIIQOWSA-N 1 0 381.923 3.627 20 30 GHEDRO Cc1cccc(OCCCNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063750410 865303341 /nfs/dbraw/zinc/30/33/41/865303341.db2.gz WKFPWMIHLANGCA-UHFFFAOYSA-N 1 0 379.504 3.662 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000171532576 865367300 /nfs/dbraw/zinc/36/73/00/865367300.db2.gz CEKHZSWMTADWDX-OAQYLSRUSA-N 1 0 396.535 3.593 20 30 GHEDRO CCS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000480917667 865506607 /nfs/dbraw/zinc/50/66/07/865506607.db2.gz ZGCGJGAFNGLPRL-QZTJIDSGSA-N 1 0 389.565 3.938 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1-c1ccncc1 ZINC000738268953 865510780 /nfs/dbraw/zinc/51/07/80/865510780.db2.gz DVXFLOICGKDWNX-LJQANCHMSA-N 1 0 398.580 3.570 20 30 GHEDRO COc1cc2[nH]c(NCc3ccc(C#N)cc3C(F)(F)F)[nH+]c2cc1OC ZINC000555144531 865578981 /nfs/dbraw/zinc/57/89/81/865578981.db2.gz HYFPYMTVJPAFJD-UHFFFAOYSA-N 1 0 376.338 3.505 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNc2cccc(C#N)c2)C1 ZINC000494542602 881886908 /nfs/dbraw/zinc/88/69/08/881886908.db2.gz CYKUWBGZWPQNQQ-GOSISDBHSA-N 1 0 376.504 3.518 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC1CCCCC1 ZINC000072631849 865682174 /nfs/dbraw/zinc/68/21/74/865682174.db2.gz IONHRTSMMMLFNJ-UHFFFAOYSA-N 1 0 377.916 3.836 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594286978 865713650 /nfs/dbraw/zinc/71/36/50/865713650.db2.gz KWZKKXJOADDCEH-CVDCTZTESA-N 1 0 390.531 3.645 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000594307921 865749911 /nfs/dbraw/zinc/74/99/11/865749911.db2.gz CYZDSAIKEHQXDX-LJQANCHMSA-N 1 0 375.516 3.860 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000739990592 865820376 /nfs/dbraw/zinc/82/03/76/865820376.db2.gz RLRTWWCGRSVFMF-FDDCHVKYSA-N 1 0 391.515 3.794 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000739989880 865821007 /nfs/dbraw/zinc/82/10/07/865821007.db2.gz MRZPFERUFKXOFK-FDDCHVKYSA-N 1 0 391.515 3.794 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000555285429 865821386 /nfs/dbraw/zinc/82/13/86/865821386.db2.gz GYHVULOSARKKNX-UHFFFAOYSA-N 1 0 395.551 3.582 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cnc(N4CCOCC4)s3)c2)s1 ZINC000740012185 865844786 /nfs/dbraw/zinc/84/47/86/865844786.db2.gz ZUDXCFPTPONEBX-UHFFFAOYSA-N 1 0 396.541 3.870 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000174570563 865892359 /nfs/dbraw/zinc/89/23/59/865892359.db2.gz IBGUUNLPLBFTBA-OAQYLSRUSA-N 1 0 390.531 3.914 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609018320 865924985 /nfs/dbraw/zinc/92/49/85/865924985.db2.gz UEXVNVXISOSBHW-WIYYLYMNSA-N 1 0 377.488 3.669 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCOCC1)c1ccccc1 ZINC000127174511 865938444 /nfs/dbraw/zinc/93/84/44/865938444.db2.gz YKJXYTTWWIDVRS-MRXNPFEDSA-N 1 0 397.906 3.841 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000740738578 865976421 /nfs/dbraw/zinc/97/64/21/865976421.db2.gz HWKIRAOIOFDLKU-UHFFFAOYSA-N 1 0 389.524 3.927 20 30 GHEDRO C=CCn1c([C@@H](C)CC)nnc1N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000508486653 866065913 /nfs/dbraw/zinc/06/59/13/866065913.db2.gz CNSSPJXCZLHOLC-CMKODMSKSA-N 1 0 399.587 3.621 20 30 GHEDRO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000600035099 866085924 /nfs/dbraw/zinc/08/59/24/866085924.db2.gz LLYNTSGYQUVGOD-APWUFGDNSA-N 1 0 387.527 3.885 20 30 GHEDRO CCCOc1cc(OC)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000475505943 866108268 /nfs/dbraw/zinc/10/82/68/866108268.db2.gz WKXSNDOHTMRTAN-UHFFFAOYSA-N 1 0 395.503 3.560 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000121375030 866120143 /nfs/dbraw/zinc/12/01/43/866120143.db2.gz UEVDVURBGYRBLS-KRWDZBQOSA-N 1 0 396.466 3.740 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475527904 866213389 /nfs/dbraw/zinc/21/33/89/866213389.db2.gz IHPAUABLYVESEP-UHFFFAOYSA-N 1 0 397.610 3.696 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000179366401 866223922 /nfs/dbraw/zinc/22/39/22/866223922.db2.gz MUFUAFCPQIMMIX-WWJLXRQJSA-N 1 0 379.504 3.706 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)CCc3ccc(C#N)cc3)CC[N@@H+]2C)cc1 ZINC000741122660 866245564 /nfs/dbraw/zinc/24/55/64/866245564.db2.gz DHYORPCPBHPEOR-NFBKMPQASA-N 1 0 378.472 3.736 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508492947 866308853 /nfs/dbraw/zinc/30/88/53/866308853.db2.gz XJRZLPTXEBPQMA-UZLBHIALSA-N 1 0 381.499 3.723 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508827174 866395631 /nfs/dbraw/zinc/39/56/31/866395631.db2.gz QHPWWUWMBCHDBL-YLJYHZDGSA-N 1 0 393.535 3.593 20 30 GHEDRO C[C@@H]1CN(C(=O)[C@H](C#N)CCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456316510 866418553 /nfs/dbraw/zinc/41/85/53/866418553.db2.gz AHRGMLQPGACOHJ-REWPJTCUSA-N 1 0 375.516 3.739 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000741339066 866429008 /nfs/dbraw/zinc/42/90/08/866429008.db2.gz XIBLHTHOXFAQRD-SFHVURJKSA-N 1 0 399.535 3.806 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000534312897 866542421 /nfs/dbraw/zinc/54/24/21/866542421.db2.gz PIUZRRXMXFLPEI-DHIUTWEWSA-N 1 0 386.499 3.802 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000665956179 866585255 /nfs/dbraw/zinc/58/52/55/866585255.db2.gz LHKUYQUXIGLIOT-NRFANRHFSA-N 1 0 395.503 3.530 20 30 GHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508830167 866639375 /nfs/dbraw/zinc/63/93/75/866639375.db2.gz XPYSDCDFRUUMFG-SFHVURJKSA-N 1 0 377.492 3.942 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000183457722 866745323 /nfs/dbraw/zinc/74/53/23/866745323.db2.gz DMWZZYTZCWIENP-LJQANCHMSA-N 1 0 391.515 3.806 20 30 GHEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741781874 866785977 /nfs/dbraw/zinc/78/59/77/866785977.db2.gz QWBGMBYZSLEPAH-KRWDZBQOSA-N 1 0 375.469 3.840 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508497787 866799829 /nfs/dbraw/zinc/79/98/29/866799829.db2.gz NLOARUYEIWVDRK-QGZVFWFLSA-N 1 0 387.959 3.876 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000508499034 866843654 /nfs/dbraw/zinc/84/36/54/866843654.db2.gz WYEPIRFDWBASIV-UHFFFAOYSA-N 1 0 380.540 3.535 20 30 GHEDRO CC(C)c1ncc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1 ZINC000440480483 866940965 /nfs/dbraw/zinc/94/09/65/866940965.db2.gz KGNNUULPDOSWOT-UHFFFAOYSA-N 1 0 397.548 3.873 20 30 GHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000444624518 866981024 /nfs/dbraw/zinc/98/10/24/866981024.db2.gz MFZYLYGIVSSMMC-OAQYLSRUSA-N 1 0 383.584 3.636 20 30 GHEDRO C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000523285537 867024155 /nfs/dbraw/zinc/02/41/55/867024155.db2.gz UGKKSVSAOABDGI-DLBZAZTESA-N 1 0 381.476 3.580 20 30 GHEDRO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C2)n1 ZINC000189922196 882040985 /nfs/dbraw/zinc/04/09/85/882040985.db2.gz ULIMARJHOWRSBK-SNVBAGLBSA-N 1 0 395.294 3.753 20 30 GHEDRO Cc1cc(Br)ccc1C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000444701399 867086756 /nfs/dbraw/zinc/08/67/56/867086756.db2.gz PUIFKCDSDTVGMJ-GOSISDBHSA-N 1 0 389.293 3.501 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444725447 867147887 /nfs/dbraw/zinc/14/78/87/867147887.db2.gz MYFILDQXUUUUNZ-RTBURBONSA-N 1 0 379.504 3.924 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)CC1 ZINC000742360707 867232165 /nfs/dbraw/zinc/23/21/65/867232165.db2.gz KYRGAVKOGSIGKM-LJQANCHMSA-N 1 0 376.500 3.788 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C#N ZINC000742369419 867264399 /nfs/dbraw/zinc/26/43/99/867264399.db2.gz GCOHMVLMWNPZOV-UHFFFAOYSA-N 1 0 387.430 3.927 20 30 GHEDRO CC[C@@H](Oc1cccc(C)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479248876 867421709 /nfs/dbraw/zinc/42/17/09/867421709.db2.gz REIVFSXMMJUXLN-JOCHJYFZSA-N 1 0 391.515 3.827 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479308073 867515465 /nfs/dbraw/zinc/51/54/65/867515465.db2.gz NYWOSOPQWOZDEC-UHFFFAOYSA-N 1 0 375.472 3.540 20 30 GHEDRO N#CC1CCC(CNc2cc(C3CC3)[nH+]c(NCC3CCC(C#N)CC3)n2)CC1 ZINC000553543204 867670007 /nfs/dbraw/zinc/67/00/07/867670007.db2.gz ATGVTTWEAYHFSC-UHFFFAOYSA-N 1 0 392.551 3.682 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1SCC#N ZINC000742949111 867691903 /nfs/dbraw/zinc/69/19/03/867691903.db2.gz MAZGHOTXFZBYDU-IBGZPJMESA-N 1 0 379.529 3.896 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155008593 867705528 /nfs/dbraw/zinc/70/55/28/867705528.db2.gz QFBOKFZJGWCFKK-PBHICJAKSA-N 1 0 382.426 3.827 20 30 GHEDRO C[C@@H](NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000743059710 867808014 /nfs/dbraw/zinc/80/80/14/867808014.db2.gz OMJYBATXIYAKRA-QGZVFWFLSA-N 1 0 378.545 3.748 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@H]2C(C)C)c1=S ZINC000920484514 882127130 /nfs/dbraw/zinc/12/71/30/882127130.db2.gz GDUKVCKFUNEABK-SFHVURJKSA-N 1 0 377.602 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2cc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)ccc21 ZINC000857235871 882132081 /nfs/dbraw/zinc/13/20/81/882132081.db2.gz BLPSYBOIPVHHEC-SFHVURJKSA-N 1 0 387.524 3.765 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000743196578 867944131 /nfs/dbraw/zinc/94/41/31/867944131.db2.gz RJPVVOGTECEQKJ-MSOLQXFVSA-N 1 0 387.499 3.956 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000620909453 867987715 /nfs/dbraw/zinc/98/77/15/867987715.db2.gz CAYWWKYKTYWBIC-UHFFFAOYSA-N 1 0 376.500 3.914 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)([NH+](C)C)C1 ZINC000609071491 868143867 /nfs/dbraw/zinc/14/38/67/868143867.db2.gz ANEVLTMKYWHBMH-SBUREZEXSA-N 1 0 395.503 3.971 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000743492609 868237142 /nfs/dbraw/zinc/23/71/42/868237142.db2.gz XJOVSOYLLZQZRM-UHFFFAOYSA-N 1 0 389.543 3.536 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccnc2SCC2CCCCC2)CC1 ZINC000743493229 868237382 /nfs/dbraw/zinc/23/73/82/868237382.db2.gz KDZZFTLITVPRGC-UHFFFAOYSA-N 1 0 385.577 3.972 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](CC)Cc2cccc(Br)c2)CC1 ZINC000743493520 868239099 /nfs/dbraw/zinc/23/90/99/868239099.db2.gz XGIMOKRDNKAXFB-KRWDZBQOSA-N 1 0 391.353 3.622 20 30 GHEDRO CC(N=Nc1ncnc2sc3c(c21)CCC3)c1cccc(OCC[NH+](C)C)c1 ZINC000743526251 868246242 /nfs/dbraw/zinc/24/62/42/868246242.db2.gz POACCCRRMDPLLR-UHFFFAOYSA-N 1 0 395.532 3.957 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508844595 868282507 /nfs/dbraw/zinc/28/25/07/868282507.db2.gz JDPXKXCLSQXKEJ-MOPGFXCFSA-N 1 0 382.556 3.560 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000743613447 868303182 /nfs/dbraw/zinc/30/31/82/868303182.db2.gz PVXVTRNQTVGPIJ-NQIIRXRSSA-N 1 0 397.544 3.642 20 30 GHEDRO C#CCCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000743692533 868363964 /nfs/dbraw/zinc/36/39/64/868363964.db2.gz HBLCRVHHJYOIME-AEFFLSMTSA-N 1 0 381.442 3.801 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1)CC1CC1 ZINC000440755664 868463059 /nfs/dbraw/zinc/46/30/59/868463059.db2.gz HZFKERPYIBFNMB-UHFFFAOYSA-N 1 0 379.548 3.950 20 30 GHEDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000743870215 868466540 /nfs/dbraw/zinc/46/65/40/868466540.db2.gz LVXOIJYCXSEKDK-GOSISDBHSA-N 1 0 395.503 3.948 20 30 GHEDRO C=CCOc1ccc(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000621042909 868580208 /nfs/dbraw/zinc/58/02/08/868580208.db2.gz ZYFXAUDKIOUYOT-UHFFFAOYSA-N 1 0 394.515 3.902 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000183930916 868698832 /nfs/dbraw/zinc/69/88/32/868698832.db2.gz PUCWEYUSAYZTRX-HSZRJFAPSA-N 1 0 393.531 3.727 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000744407012 868816098 /nfs/dbraw/zinc/81/60/98/868816098.db2.gz QPOJFDNZDUHPRS-OALUTQOASA-N 1 0 390.487 3.647 20 30 GHEDRO NC(=[NH+]OCC(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 ZINC000744446064 868847601 /nfs/dbraw/zinc/84/76/01/868847601.db2.gz NRVZRXBQMHVJEN-UHFFFAOYSA-N 1 0 386.883 3.606 20 30 GHEDRO CC(C)(C)c1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000744446423 868849170 /nfs/dbraw/zinc/84/91/70/868849170.db2.gz YTNUPFUEMXXENY-UHFFFAOYSA-N 1 0 381.520 3.782 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000669815998 868901162 /nfs/dbraw/zinc/90/11/62/868901162.db2.gz IVFAKZFUBMYLMD-IRLDBZIGSA-N 1 0 391.563 3.702 20 30 GHEDRO CC[NH+](CC)CCN1c2ccccc2C(=NN=c2[nH]c3ccccc3s2)C1=O ZINC000744535899 868915239 /nfs/dbraw/zinc/91/52/39/868915239.db2.gz UWLRYYQDIPDAGX-UHFFFAOYSA-N 1 0 393.516 3.801 20 30 GHEDRO C[C@](O)(C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000535541338 868941760 /nfs/dbraw/zinc/94/17/60/868941760.db2.gz CQIAHFKGDPSWNR-QWRGUYRKSA-N 1 0 399.253 3.962 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669817988 868964225 /nfs/dbraw/zinc/96/42/25/868964225.db2.gz GUSAPFHAHLSEAV-UHFFFAOYSA-N 1 0 394.567 3.542 20 30 GHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000457929327 869000759 /nfs/dbraw/zinc/00/07/59/869000759.db2.gz NIMQTWFNHGFJOJ-YADHBBJMSA-N 1 0 378.520 3.894 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000524453266 869102832 /nfs/dbraw/zinc/10/28/32/869102832.db2.gz WNRVBJLYUABYKO-KRWDZBQOSA-N 1 0 397.544 3.577 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000524474251 869130868 /nfs/dbraw/zinc/13/08/68/869130868.db2.gz LARMGCCWRCCMCG-HSZRJFAPSA-N 1 0 388.515 3.920 20 30 GHEDRO CC[NH+](CC)[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000462380664 869328037 /nfs/dbraw/zinc/32/80/37/869328037.db2.gz XIKYPTZEVOSJIE-SFHVURJKSA-N 1 0 379.420 3.525 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000446040976 869329182 /nfs/dbraw/zinc/32/91/82/869329182.db2.gz GODVMSLURZZWMN-QGZVFWFLSA-N 1 0 379.888 3.985 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000609094889 869365031 /nfs/dbraw/zinc/36/50/31/869365031.db2.gz JLRFMPZBDDVOEF-JOCHJYFZSA-N 1 0 394.563 3.832 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@H]1C ZINC000524880860 869725789 /nfs/dbraw/zinc/72/57/89/869725789.db2.gz LJXIFGJDUPRBJG-APWZRJJASA-N 1 0 378.476 3.690 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000475705779 882373573 /nfs/dbraw/zinc/37/35/73/882373573.db2.gz MAYGXNJJLCXQJB-MRXNPFEDSA-N 1 0 394.393 3.721 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC001192261901 870246347 /nfs/dbraw/zinc/24/63/47/870246347.db2.gz LUWFNRURIPPYPU-CVEARBPZSA-N 1 0 394.519 3.891 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000462943646 870477624 /nfs/dbraw/zinc/47/76/24/870477624.db2.gz DRLGBGWGJNOTCZ-DZKIICNBSA-N 1 0 381.314 3.943 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000248706418 870597608 /nfs/dbraw/zinc/59/76/08/870597608.db2.gz AVEVOYOQBHLFSG-WVBUVRCRSA-N 1 0 398.528 3.860 20 30 GHEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000248962903 870704204 /nfs/dbraw/zinc/70/42/04/870704204.db2.gz GTRGNURDBACJOT-MBOZVWFJSA-N 1 0 389.565 3.984 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000249415452 870825742 /nfs/dbraw/zinc/82/57/42/870825742.db2.gz ZEJAANBFHPZFAK-UWWQBHOKSA-N 1 0 381.442 3.939 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000609110152 870889653 /nfs/dbraw/zinc/88/96/53/870889653.db2.gz TYPUDBOJYSQXCE-QHCPKHFHSA-N 1 0 394.563 3.642 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000249890269 870925908 /nfs/dbraw/zinc/92/59/08/870925908.db2.gz QGFDFRVCOYKATR-AZUAARDMSA-N 1 0 377.488 3.820 20 30 GHEDRO CCCCCCCC[N@H+](CCN)[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168902466 870985731 /nfs/dbraw/zinc/98/57/31/870985731.db2.gz BWJOHTXIPGLVPO-OAQYLSRUSA-N 1 0 389.584 3.807 20 30 GHEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000538962804 871028816 /nfs/dbraw/zinc/02/88/16/871028816.db2.gz LXRVGFMQZVDIBX-MRXNPFEDSA-N 1 0 375.423 3.712 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000540327880 871030049 /nfs/dbraw/zinc/03/00/49/871030049.db2.gz GFQGIUMVZPSJFX-WMZOPIPTSA-N 1 0 383.517 3.590 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001193518205 871156546 /nfs/dbraw/zinc/15/65/46/871156546.db2.gz XQNDTZVHCJXGIC-NRFANRHFSA-N 1 0 397.544 3.590 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000540392896 871159117 /nfs/dbraw/zinc/15/91/17/871159117.db2.gz CWJUMUCYLJXXHM-NWDGAFQWSA-N 1 0 378.822 3.850 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670214423 871197619 /nfs/dbraw/zinc/19/76/19/871197619.db2.gz IEQDPLBXGLWILZ-SFHVURJKSA-N 1 0 381.524 3.594 20 30 GHEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C#N)(c3ccc(Br)cc3)CC1)C2 ZINC001169143175 871251102 /nfs/dbraw/zinc/25/11/02/871251102.db2.gz YUHMFVRADIOABR-BWTSREIZSA-N 1 0 388.353 3.931 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(-n3ncc4c3cccc4C[NH3+])nn2)c1 ZINC001169189005 871286024 /nfs/dbraw/zinc/28/60/24/871286024.db2.gz MWWHZGWYBKBTCB-UHFFFAOYSA-N 1 0 394.360 3.832 20 30 GHEDRO C=CCC[C@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000540456313 871343236 /nfs/dbraw/zinc/34/32/36/871343236.db2.gz JKVODCMTJFOHQJ-NRFANRHFSA-N 1 0 388.533 3.613 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[NH+](C3CCC(C)CC3)CC2)c1=S ZINC000115514538 882504847 /nfs/dbraw/zinc/50/48/47/882504847.db2.gz FGSXYSAEBROUDZ-UHFFFAOYSA-N 1 0 375.586 3.631 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001193897547 871384604 /nfs/dbraw/zinc/38/46/04/871384604.db2.gz DKOUEXCOYVHWGX-DLBZAZTESA-N 1 0 383.517 3.537 20 30 GHEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CCCC1(C)C ZINC001193921473 871394271 /nfs/dbraw/zinc/39/42/71/871394271.db2.gz XNLUZFKFPISBSB-SFHVURJKSA-N 1 0 387.915 3.926 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000461996912 871413764 /nfs/dbraw/zinc/41/37/64/871413764.db2.gz WTPFGEITYMPRCJ-SFHVURJKSA-N 1 0 391.515 3.699 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000618215237 871415355 /nfs/dbraw/zinc/41/53/55/871415355.db2.gz PRPWYXFYNXMHQD-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO O=C(c1ccccc1)C(C(=S)NC[C@H]1CCCO1)[n+]1ccc2c(c1)CCCC2 ZINC000041465773 871419684 /nfs/dbraw/zinc/41/96/84/871419684.db2.gz GIMQWBHNZJYVKK-HXUWFJFHSA-O 1 0 395.548 3.560 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cncn3Cc3ccccc3)CC2)cc1 ZINC000525833183 871518828 /nfs/dbraw/zinc/51/88/28/871518828.db2.gz GCORKEHYSSTBTG-UHFFFAOYSA-N 1 0 385.515 3.511 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000539254117 871561841 /nfs/dbraw/zinc/56/18/41/871561841.db2.gz LXIIHEACRZFJJZ-IAGOWNOFSA-N 1 0 387.524 3.675 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H](CC)Cc1ccc3c(c1)OCO3)C2 ZINC001170441719 882522123 /nfs/dbraw/zinc/52/21/23/882522123.db2.gz JZEFELQNKOWRAS-WTIAFYNJSA-N 1 0 387.520 3.810 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC001169554652 871633466 /nfs/dbraw/zinc/63/34/66/871633466.db2.gz MAGGDRNLVDXMFL-IFMALSPDSA-N 1 0 389.499 3.707 20 30 GHEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001169568810 871644557 /nfs/dbraw/zinc/64/45/57/871644557.db2.gz RLKIYHLFCSRTQU-XMSQKQJNSA-N 1 0 378.520 3.631 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000152285055 871649588 /nfs/dbraw/zinc/64/95/88/871649588.db2.gz ZGQREVGPACZYKI-UHFFFAOYSA-N 1 0 389.459 3.809 20 30 GHEDRO N#CCc1nc(Cl)cc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)n1 ZINC001169607269 871667656 /nfs/dbraw/zinc/66/76/56/871667656.db2.gz OVRZICVCJWPEKW-UHFFFAOYSA-N 1 0 395.772 3.540 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000525893824 871677138 /nfs/dbraw/zinc/67/71/38/871677138.db2.gz CTHSEDNOOCWRJE-MRXNPFEDSA-N 1 0 381.451 3.618 20 30 GHEDRO N#Cc1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1Cl ZINC000525952899 871755758 /nfs/dbraw/zinc/75/57/58/871755758.db2.gz WJZYMJNAYJJXHU-UHFFFAOYSA-N 1 0 385.817 3.747 20 30 GHEDRO C[C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000462177065 871771408 /nfs/dbraw/zinc/77/14/08/871771408.db2.gz QSRZUITVFWFQLI-CQSZACIVSA-N 1 0 398.320 3.776 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000447514018 871777708 /nfs/dbraw/zinc/77/77/08/871777708.db2.gz AKQDJBJKCAGPGV-QFIPXVFZSA-N 1 0 397.544 3.974 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000092756809 871839861 /nfs/dbraw/zinc/83/98/61/871839861.db2.gz LWISOAGTLWYHCZ-MRXNPFEDSA-N 1 0 395.341 3.693 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001194640711 871847017 /nfs/dbraw/zinc/84/70/17/871847017.db2.gz GVNZNHDRDHTOFQ-RTBURBONSA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+]([C@@H]3CCCN(C(=O)c4ccccc4)C3)C2)cc1 ZINC001169787932 871883159 /nfs/dbraw/zinc/88/31/59/871883159.db2.gz FUPPQZUAJNMOTR-GGAORHGYSA-N 1 0 389.499 3.706 20 30 GHEDRO CCCCCCCCOC(=O)N1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001194740986 871902432 /nfs/dbraw/zinc/90/24/32/871902432.db2.gz XMDTYKBBLALUGH-UHFFFAOYSA-N 1 0 395.588 3.748 20 30 GHEDRO C=CC[C@@H]1[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCC1(C)C ZINC001169843245 871932153 /nfs/dbraw/zinc/93/21/53/871932153.db2.gz AQPCOSVXQHMHKF-SFHVURJKSA-N 1 0 375.469 3.999 20 30 GHEDRO O=C(c1ccc(C#CBr)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001194786928 871933889 /nfs/dbraw/zinc/93/38/89/871933889.db2.gz LLHKYXWQYZOKMD-UHFFFAOYSA-N 1 0 389.337 3.729 20 30 GHEDRO C=CC[C@@H]1[N@H+](C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CCCC1(C)C ZINC001169845400 871936509 /nfs/dbraw/zinc/93/65/09/871936509.db2.gz UCSGMNHVNIITKI-IRXDYDNUSA-N 1 0 392.540 3.606 20 30 GHEDRO CN(C)C(=O)Sc1cccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC001194791699 871937664 /nfs/dbraw/zinc/93/76/64/871937664.db2.gz KVPRWXFEYZEPDY-UHFFFAOYSA-N 1 0 383.517 3.981 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000463527572 871940679 /nfs/dbraw/zinc/94/06/79/871940679.db2.gz SDDAOAUHVZQCOP-SFHVURJKSA-N 1 0 386.517 3.888 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](C[C@H](O)c3cccc(C#N)c3)CC2)C1 ZINC001194835392 871980827 /nfs/dbraw/zinc/98/08/27/871980827.db2.gz SRDJFFBCVBWEBP-SFTDATJTSA-N 1 0 399.535 3.561 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC001170442738 882570961 /nfs/dbraw/zinc/57/09/61/882570961.db2.gz HNIIBVZRTFIHSX-KGLIPLIRSA-N 1 0 377.653 3.768 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618828357 872033805 /nfs/dbraw/zinc/03/38/05/872033805.db2.gz JSELRZDKEDHRJV-XZOQPEGZSA-N 1 0 388.515 3.755 20 30 GHEDRO CCN(C(=O)COc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000921086283 882572193 /nfs/dbraw/zinc/57/21/93/882572193.db2.gz CUCNEAVMOHRWDC-RXVVDRJESA-N 1 0 377.488 3.621 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(NCC3([NH+]4CCCC4)CCOCC3)c2c1 ZINC000447676582 872081344 /nfs/dbraw/zinc/08/13/44/872081344.db2.gz RBSCAXDLSWIZSK-UHFFFAOYSA-N 1 0 378.520 3.709 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1C ZINC000182257240 872096148 /nfs/dbraw/zinc/09/61/48/872096148.db2.gz PLRFOQPEIRQUSZ-QGZVFWFLSA-N 1 0 379.460 3.630 20 30 GHEDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000552195844 872186247 /nfs/dbraw/zinc/18/62/47/872186247.db2.gz BPZCAODXQAEIQU-IBGZPJMESA-N 1 0 391.515 3.757 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)on2)c1 ZINC000619112033 872300708 /nfs/dbraw/zinc/30/07/08/872300708.db2.gz AROLECBHXLIMKM-UHFFFAOYSA-N 1 0 392.503 3.941 20 30 GHEDRO Cc1ccc(N(C(=O)c2cc(C)cc(C#N)c2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001195411147 872370823 /nfs/dbraw/zinc/37/08/23/872370823.db2.gz FMYWWNDEKVEISN-UHFFFAOYSA-N 1 0 397.482 3.632 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000767359585 872452819 /nfs/dbraw/zinc/45/28/19/872452819.db2.gz IRYZBHXGLVDEPO-QGZVFWFLSA-N 1 0 389.503 3.726 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000921124744 882617466 /nfs/dbraw/zinc/61/74/66/882617466.db2.gz MWQITSYHICXHBD-CQSZACIVSA-N 1 0 386.359 3.729 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H](N(Cc3ccccc3[N+](=O)[O-])C3CC3)C2=O)cc1 ZINC000447891647 872486064 /nfs/dbraw/zinc/48/60/64/872486064.db2.gz RFZKFCWBWXIPQR-OAQYLSRUSA-N 1 0 390.443 3.626 20 30 GHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000619271772 872498820 /nfs/dbraw/zinc/49/88/20/872498820.db2.gz NNXWBHNZVGEXQA-NRFANRHFSA-N 1 0 378.520 3.546 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1C#N ZINC000128146754 872506506 /nfs/dbraw/zinc/50/65/06/872506506.db2.gz KKROXSAIAAMTPZ-AWEZNQCLSA-N 1 0 399.564 3.898 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000527074203 872607573 /nfs/dbraw/zinc/60/75/73/872607573.db2.gz IKMGUSBJSYUDBO-UHFFFAOYSA-N 1 0 385.471 3.890 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000619508390 872694175 /nfs/dbraw/zinc/69/41/75/872694175.db2.gz MENVEQXHDQYTLS-UGSOOPFHSA-N 1 0 391.924 3.922 20 30 GHEDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000541056231 872809842 /nfs/dbraw/zinc/80/98/42/872809842.db2.gz ZRSISAPFHVGXGJ-OXJNMPFZSA-N 1 0 397.544 3.905 20 30 GHEDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000152734389 872817121 /nfs/dbraw/zinc/81/71/21/872817121.db2.gz NPXHQAPITQMOBQ-SFHVURJKSA-N 1 0 386.517 3.630 20 30 GHEDRO N#CC1(CCC[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000619620001 872830200 /nfs/dbraw/zinc/83/02/00/872830200.db2.gz CUOHQFUAZAJXII-UHFFFAOYSA-N 1 0 395.469 3.924 20 30 GHEDRO Cc1ccccc1-n1nccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000527219520 872830861 /nfs/dbraw/zinc/83/08/61/872830861.db2.gz QGSACHRJEVZFHQ-UHFFFAOYSA-N 1 0 399.498 3.903 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(SCC#N)c1 ZINC000176024598 882658624 /nfs/dbraw/zinc/65/86/24/882658624.db2.gz XNPRKVJKDFGFHR-IBGZPJMESA-N 1 0 379.529 3.896 20 30 GHEDRO COc1ccc(CCC2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000619739317 872941267 /nfs/dbraw/zinc/94/12/67/872941267.db2.gz GIFONNNDCYAQLC-QFIPXVFZSA-N 1 0 394.515 3.651 20 30 GHEDRO C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619760516 872972723 /nfs/dbraw/zinc/97/27/23/872972723.db2.gz UZJKIINAUYCKNR-UZLBHIALSA-N 1 0 396.922 3.921 20 30 GHEDRO COc1ccccc1NC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001196265257 872977549 /nfs/dbraw/zinc/97/75/49/872977549.db2.gz APAFIUVWXFJIOA-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2ccc(C)nc2)CC1)C(C)C ZINC000541180458 873099996 /nfs/dbraw/zinc/09/99/96/873099996.db2.gz ULULONWIDMLUOX-QFIPXVFZSA-N 1 0 384.568 3.978 20 30 GHEDRO COc1ccc([C@H](CO)[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000153081724 873181033 /nfs/dbraw/zinc/18/10/33/873181033.db2.gz VGECLAPAKIIHRR-IBGZPJMESA-N 1 0 379.378 3.611 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000153114656 873207864 /nfs/dbraw/zinc/20/78/64/873207864.db2.gz HVTPYESMTQIWJL-UHFFFAOYSA-N 1 0 376.298 3.701 20 30 GHEDRO CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541255271 873248511 /nfs/dbraw/zinc/24/85/11/873248511.db2.gz JNKIAVHFEUHQTH-UZLBHIALSA-N 1 0 379.529 3.996 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000768498327 873337695 /nfs/dbraw/zinc/33/76/95/873337695.db2.gz HOXHOERTGZOQEI-QUCCMNQESA-N 1 0 397.592 3.949 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000768499433 873339302 /nfs/dbraw/zinc/33/93/02/873339302.db2.gz AIHOEWYPXBUWEU-UXHICEINSA-N 1 0 397.592 3.949 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000448429267 873375388 /nfs/dbraw/zinc/37/53/88/873375388.db2.gz HVJNDLBVPNAVND-LJQANCHMSA-N 1 0 392.503 3.843 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)no2)c1 ZINC001196771309 873378472 /nfs/dbraw/zinc/37/84/72/873378472.db2.gz LRFCZFLHDKGVQH-OAQYLSRUSA-N 1 0 386.455 3.780 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC000527726256 873500645 /nfs/dbraw/zinc/50/06/45/873500645.db2.gz CTAOCQIRSKTFAU-UHFFFAOYSA-N 1 0 381.442 3.814 20 30 GHEDRO C[C@H](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1CCCCC1 ZINC000541431627 873568869 /nfs/dbraw/zinc/56/88/69/873568869.db2.gz RBRXTANVYMPFNH-CQSZACIVSA-N 1 0 398.429 3.885 20 30 GHEDRO C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(-c2ccccc2)n(C)n1 ZINC000527888114 873718556 /nfs/dbraw/zinc/71/85/56/873718556.db2.gz QWOQXTRRNOHXFT-UTKZUKDTSA-N 1 0 399.498 3.805 20 30 GHEDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1F ZINC000769233299 873908988 /nfs/dbraw/zinc/90/89/88/873908988.db2.gz QPZONYLSIFEUKO-UHFFFAOYSA-N 1 0 380.467 3.614 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)cc1C#N ZINC000769417109 874033252 /nfs/dbraw/zinc/03/32/52/874033252.db2.gz FFXZFCUJLFGPOZ-HNNXBMFYSA-N 1 0 378.394 3.526 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)CCCCC1 ZINC000448857246 874053174 /nfs/dbraw/zinc/05/31/74/874053174.db2.gz DZRPRBNXUKEPBD-UHFFFAOYSA-N 1 0 397.563 3.892 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000769529419 874136906 /nfs/dbraw/zinc/13/69/06/874136906.db2.gz AYSJWRYEADNUSY-APWZRJJASA-N 1 0 385.508 3.951 20 30 GHEDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000769542479 874146867 /nfs/dbraw/zinc/14/68/67/874146867.db2.gz JPLLSOPFPRRFDQ-GOSISDBHSA-N 1 0 395.503 3.707 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC(C)([NH+]4CCOCC4)CC3)c2c1 ZINC000528191615 874228609 /nfs/dbraw/zinc/22/86/09/874228609.db2.gz XAAYQVGMQJPVQK-UHFFFAOYSA-N 1 0 384.911 3.759 20 30 GHEDRO Brc1cc(N=NCC2(C[NH+]3CCOCC3)CCCCC2)ccn1 ZINC000769817896 874284185 /nfs/dbraw/zinc/28/41/85/874284185.db2.gz ZIAHRYCHLVGTTL-UHFFFAOYSA-N 1 0 381.318 3.525 20 30 GHEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001198407320 874394806 /nfs/dbraw/zinc/39/48/06/874394806.db2.gz UECLYYVPGSMTDU-QHCPKHFHSA-N 1 0 383.580 3.885 20 30 GHEDRO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)c(C)c1 ZINC000528344636 874400597 /nfs/dbraw/zinc/40/05/97/874400597.db2.gz LGXWWHJYAURXFI-NRFANRHFSA-N 1 0 392.499 3.510 20 30 GHEDRO N#CCSCCCN1CC[N@H+](CCCSCC#N)CC12CCCCC2 ZINC000177821183 882829473 /nfs/dbraw/zinc/82/94/73/882829473.db2.gz YKZOTIIHYCPOSR-UHFFFAOYSA-N 1 0 380.627 3.601 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000104514750 874458354 /nfs/dbraw/zinc/45/83/54/874458354.db2.gz SCPIBNPZCDMSJJ-GOSISDBHSA-N 1 0 397.519 3.788 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000464775889 874469498 /nfs/dbraw/zinc/46/94/98/874469498.db2.gz MIJIXNHKVGEWEG-LJQANCHMSA-N 1 0 399.583 3.694 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000541895688 874483862 /nfs/dbraw/zinc/48/38/62/874483862.db2.gz KUJCGWQOOBSYLD-WIYYLYMNSA-N 1 0 387.487 3.618 20 30 GHEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)C1 ZINC000449089228 874486427 /nfs/dbraw/zinc/48/64/27/874486427.db2.gz JJFUAELOAQKHQN-FQVISZRSSA-N 1 0 389.565 3.669 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCS1 ZINC000464791024 874518897 /nfs/dbraw/zinc/51/88/97/874518897.db2.gz KNTRYZNNELPZQH-UONOGXRCSA-N 1 0 377.579 3.901 20 30 GHEDRO C=CCn1c(C)cc(C(=O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000464834134 874567251 /nfs/dbraw/zinc/56/72/51/874567251.db2.gz RPZOAFONECHMLN-QFIPXVFZSA-N 1 0 379.548 3.928 20 30 GHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCSc1ccccc1Cl ZINC000464863957 874664716 /nfs/dbraw/zinc/66/47/16/874664716.db2.gz DAWBHKNYHYDQGA-OAHLLOKOSA-N 1 0 387.940 3.695 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2OC)cc1OC ZINC000858105133 882851387 /nfs/dbraw/zinc/85/13/87/882851387.db2.gz JVOHTBOOZOUKCO-QGZVFWFLSA-N 1 0 377.868 3.745 20 30 GHEDRO Cn1cc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c(-c2ccc(F)cc2)n1 ZINC000449331473 874715181 /nfs/dbraw/zinc/71/51/81/874715181.db2.gz ZBGIEIOJNXUUST-UHFFFAOYSA-N 1 0 378.451 3.746 20 30 GHEDRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542015829 874770285 /nfs/dbraw/zinc/77/02/85/874770285.db2.gz UBJLKJREVNBYSM-INIZCTEOSA-N 1 0 378.476 3.502 20 30 GHEDRO CN(C)Cc1nc(CSCCNc2cc(CC#N)ccc2[N+](=O)[O-])cs1 ZINC001168109263 874846574 /nfs/dbraw/zinc/84/65/74/874846574.db2.gz XZSRISMOEYFKTO-UHFFFAOYSA-N 1 0 391.522 3.524 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528720357 874957717 /nfs/dbraw/zinc/95/77/17/874957717.db2.gz UHWQNAJXCBXELF-INIZCTEOSA-N 1 0 380.492 3.851 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528735146 874983921 /nfs/dbraw/zinc/98/39/21/874983921.db2.gz NXYHJQAGZYYGEE-OAQYLSRUSA-N 1 0 381.501 3.808 20 30 GHEDRO CN(C)C(=O)Nc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000449561702 875051289 /nfs/dbraw/zinc/05/12/89/875051289.db2.gz XNGCIKSDMDOLIU-UHFFFAOYSA-N 1 0 377.492 3.728 20 30 GHEDRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(C#N)s2)cc1Br ZINC000449599818 875120100 /nfs/dbraw/zinc/12/01/00/875120100.db2.gz MGEFSSNEYKQKQG-CQSZACIVSA-N 1 0 379.323 3.632 20 30 GHEDRO CCC(CC)(CNC(=O)NCc1ccc(C#N)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000780454701 875161072 /nfs/dbraw/zinc/16/10/72/875161072.db2.gz HVXJXAVBIUGEQS-QGZVFWFLSA-N 1 0 379.508 3.662 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(CC#N)cc3)CCCC2)cc1OC ZINC000542207859 875181156 /nfs/dbraw/zinc/18/11/56/875181156.db2.gz DQXQHUKWJXNUSE-UHFFFAOYSA-N 1 0 393.487 3.811 20 30 GHEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]CC(C)(C)CCC#N ZINC000449684848 875237817 /nfs/dbraw/zinc/23/78/17/875237817.db2.gz SPIJKHSHUUXXCE-AWEZNQCLSA-N 1 0 383.330 3.528 20 30 GHEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449685440 875240096 /nfs/dbraw/zinc/24/00/96/875240096.db2.gz UOYKTEXROQOQTR-STJZUHDESA-N 1 0 395.341 3.671 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1cccc(F)c1 ZINC000858177803 882911954 /nfs/dbraw/zinc/91/19/54/882911954.db2.gz PSXWARARGKRYIJ-NRFANRHFSA-N 1 0 379.479 3.928 20 30 GHEDRO CCOc1ccc(C(=O)/C=C\c2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000771528409 875314152 /nfs/dbraw/zinc/31/41/52/875314152.db2.gz NCFQCCZUAGSWLC-POHAHGRESA-N 1 0 395.459 3.641 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449735855 875320546 /nfs/dbraw/zinc/32/05/46/875320546.db2.gz JOJREOAYZKHDEJ-LBPRGKRZSA-N 1 0 375.831 3.866 20 30 GHEDRO C=CCC1(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCCC1 ZINC000449820535 875479889 /nfs/dbraw/zinc/47/98/89/875479889.db2.gz WBLRJOWLHXNLFE-NRFANRHFSA-N 1 0 396.579 3.579 20 30 GHEDRO S=C(NN=Cc1cscc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000771870850 875507900 /nfs/dbraw/zinc/50/79/00/875507900.db2.gz GLBKXVRXPDFGDP-UHFFFAOYSA-N 1 0 392.981 3.864 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001201297487 875617206 /nfs/dbraw/zinc/61/72/06/875617206.db2.gz HMEXZVDSOGPRHN-MJGOQNOKSA-N 1 0 395.478 3.727 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000776165226 875680320 /nfs/dbraw/zinc/68/03/20/875680320.db2.gz OPCHPKRJOWWHOL-QHCPKHFHSA-N 1 0 388.515 3.993 20 30 GHEDRO COC(=O)Nc1ccc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000776165024 875680589 /nfs/dbraw/zinc/68/05/89/875680589.db2.gz NFUVQHGLVQVAKC-UHFFFAOYSA-N 1 0 392.503 3.533 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000153104796 875786445 /nfs/dbraw/zinc/78/64/45/875786445.db2.gz NLAAOJONTUALSE-SCLBCKFNSA-N 1 0 375.444 3.711 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1C#N ZINC000529211993 875836124 /nfs/dbraw/zinc/83/61/24/875836124.db2.gz RSYZXNFJDOQCSH-UHFFFAOYSA-N 1 0 384.524 3.825 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)c1c(F)cccc1F ZINC000271876880 875841635 /nfs/dbraw/zinc/84/16/35/875841635.db2.gz OIXSYSFTEZUCSR-GMAHTHKFSA-N 1 0 399.485 3.903 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H](CC(N)=O)c3ccccc3)c2)c1 ZINC000549908820 875856453 /nfs/dbraw/zinc/85/64/53/875856453.db2.gz MSXGHYJKJZCGLX-QHCPKHFHSA-N 1 0 385.467 3.844 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000746534642 875872889 /nfs/dbraw/zinc/87/28/89/875872889.db2.gz POSYIADGQQXHOM-QGZVFWFLSA-N 1 0 390.487 3.891 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CCC(C[N@@H+](C)CCCC)CC2)c1=S ZINC000151803723 875944185 /nfs/dbraw/zinc/94/41/85/875944185.db2.gz VDXYHVWAIVPHBS-UHFFFAOYSA-N 1 0 377.602 3.879 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@@H+](CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000450214485 876086422 /nfs/dbraw/zinc/08/64/22/876086422.db2.gz HRTKIYZKYWWBDR-UHFFFAOYSA-N 1 0 379.479 3.868 20 30 GHEDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC000858284572 883001049 /nfs/dbraw/zinc/00/10/49/883001049.db2.gz KVINQMCITAVJBN-XLIONFOSSA-N 1 0 398.551 3.905 20 30 GHEDRO N#Cc1ccc(COC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c(Cl)c1 ZINC000785710566 876216294 /nfs/dbraw/zinc/21/62/94/876216294.db2.gz YMKHTGSEUUMFQX-UHFFFAOYSA-N 1 0 398.890 3.773 20 30 GHEDRO c1coc(CCNC(N[C@H]2CCOC3(CCSCC3)C2)=[NH+]C2CCCC2)c1 ZINC000262667681 876376280 /nfs/dbraw/zinc/37/62/80/876376280.db2.gz NYZAHZUPELDELQ-SFHVURJKSA-N 1 0 391.581 3.745 20 30 GHEDRO CCCO[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000108396169 876464581 /nfs/dbraw/zinc/46/45/81/876464581.db2.gz KMUHWWVFMIAZME-ZWKOTPCHSA-N 1 0 378.476 3.505 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1 ZINC000529660756 876477020 /nfs/dbraw/zinc/47/70/20/876477020.db2.gz FEROJTUKZCUHKE-UHFFFAOYSA-N 1 0 397.519 3.983 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)ccc1OC ZINC000179858009 883033277 /nfs/dbraw/zinc/03/32/77/883033277.db2.gz IWALPDPACYFFRC-UHFFFAOYSA-N 1 0 399.491 3.797 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCCC3)C2)c1C#N ZINC000609355587 883048803 /nfs/dbraw/zinc/04/88/03/883048803.db2.gz TUMCCIIGZHNAKR-HXUWFJFHSA-N 1 0 397.567 3.590 20 30 GHEDRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCSCC#N)CC1 ZINC000173900400 876709760 /nfs/dbraw/zinc/70/97/60/876709760.db2.gz ZBQISBWABGQGSI-OAHLLOKOSA-N 1 0 382.371 3.775 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000450784763 876886639 /nfs/dbraw/zinc/88/66/39/876886639.db2.gz KUUDYGCWRSWRFZ-UHFFFAOYSA-N 1 0 393.447 3.501 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccc1OC ZINC000850405840 876886857 /nfs/dbraw/zinc/88/68/57/876886857.db2.gz HCKZCJYAOMEDBB-UHFFFAOYSA-N 1 0 396.531 3.901 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1OCCCC#N ZINC000850418610 876900342 /nfs/dbraw/zinc/90/03/42/876900342.db2.gz NTTPUSGDWPJOPQ-QGZVFWFLSA-N 1 0 394.393 3.618 20 30 GHEDRO N#CC1CCC(C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850465849 876945134 /nfs/dbraw/zinc/94/51/34/876945134.db2.gz GAVNFONCWCSLCB-JTTJXQCZSA-N 1 0 379.426 3.942 20 30 GHEDRO N#CCc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)cc1 ZINC000850475582 876953270 /nfs/dbraw/zinc/95/32/70/876953270.db2.gz AEJPHIXKVZMMLB-IBGZPJMESA-N 1 0 387.405 3.878 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000850502094 876976092 /nfs/dbraw/zinc/97/60/92/876976092.db2.gz KKXPWWUNGKZHGC-KSZLIROESA-N 1 0 384.586 3.690 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)cc1F ZINC000850541905 877010040 /nfs/dbraw/zinc/01/00/40/877010040.db2.gz DNBCZBYSEKWOIP-ZBFHGGJFSA-N 1 0 389.471 3.516 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450856427 877016518 /nfs/dbraw/zinc/01/65/18/877016518.db2.gz IHHCLJVIAZMRAF-NBJYBMASSA-N 1 0 399.560 3.957 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000850587220 877059275 /nfs/dbraw/zinc/05/92/75/877059275.db2.gz SMCMQBHNLNMKGP-HNNXBMFYSA-N 1 0 397.525 3.723 20 30 GHEDRO CC1CCC(OC2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)CC1 ZINC000609392505 883105807 /nfs/dbraw/zinc/10/58/07/883105807.db2.gz NELYIOUKCYLJKK-JGBTYHIZSA-N 1 0 386.536 3.552 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000450999328 877204828 /nfs/dbraw/zinc/20/48/28/877204828.db2.gz CAJAVWJLZBFLOO-HKUYNNGSSA-N 1 0 380.467 3.735 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc4ccc(Cl)cn34)C2)c(F)c1 ZINC000610007823 877281179 /nfs/dbraw/zinc/28/11/79/877281179.db2.gz KQBCJJZOASUIGB-MRXNPFEDSA-N 1 0 383.858 3.757 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(C#N)cc1O)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051159 912222065 /nfs/dbraw/zinc/22/20/65/912222065.db2.gz WYBKARWCXGAEPT-INIZCTEOSA-N 1 0 381.476 3.641 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000530233761 877337232 /nfs/dbraw/zinc/33/72/32/877337232.db2.gz HICQZKUJAADITR-WDSOQIARSA-N 1 0 390.405 3.853 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCOC2)O1 ZINC000530281407 877444016 /nfs/dbraw/zinc/44/40/16/877444016.db2.gz VKJGKDDPLQSVQF-JPYJTQIMSA-N 1 0 378.472 3.517 20 30 GHEDRO COc1ccc(OC)c(C[N@H+](CCOc2ccc(C#N)cc2OC)C2CC2)c1 ZINC000610132229 877446801 /nfs/dbraw/zinc/44/68/01/877446801.db2.gz ATDRRQWGXITKSU-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000610162775 877466593 /nfs/dbraw/zinc/46/65/93/877466593.db2.gz YDOLFZQUVJHQBD-SIKLNZKXSA-N 1 0 387.487 3.549 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N[C@H](c1nc2ccccc2n1CC)c1ccccc1 ZINC001183092278 912238790 /nfs/dbraw/zinc/23/87/90/912238790.db2.gz WPLFCURMWXLJGX-QFIPXVFZSA-N 1 0 388.515 3.914 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1F ZINC000615353032 877658544 /nfs/dbraw/zinc/65/85/44/877658544.db2.gz WQAISDWTLDHQEE-UHFFFAOYSA-N 1 0 395.478 3.969 20 30 GHEDRO Cc1nc(CC2CC2)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000530395390 877701544 /nfs/dbraw/zinc/70/15/44/877701544.db2.gz GICBBDOQDVOATN-UHFFFAOYSA-N 1 0 394.544 3.692 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285377659 912265957 /nfs/dbraw/zinc/26/59/57/912265957.db2.gz CQTCNPKXRBXXGL-HRBLRVMOSA-N 1 0 386.565 3.576 20 30 GHEDRO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3cccc(OCCCC#N)c3)c2)CCO1 ZINC000237638841 877728560 /nfs/dbraw/zinc/72/85/60/877728560.db2.gz JIWIJBAIOVBPOZ-FQEVSTJZSA-N 1 0 393.531 3.880 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1OC ZINC000851646274 877853050 /nfs/dbraw/zinc/85/30/50/877853050.db2.gz SRCVCVYORRUYSN-PXWJQCMDSA-N 1 0 394.471 3.573 20 30 GHEDRO N#C[C@]1(F)CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000615590745 877905459 /nfs/dbraw/zinc/90/54/59/877905459.db2.gz DFITVQIDSFQWEJ-HSZRJFAPSA-N 1 0 394.494 3.726 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451490012 878036701 /nfs/dbraw/zinc/03/67/01/878036701.db2.gz LDVATZCVFHXUCK-IONDEXAJSA-N 1 0 385.533 3.567 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1oc(C)nc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183147880 912305373 /nfs/dbraw/zinc/30/53/73/912305373.db2.gz FHQQXYIZKHQGHH-HNNXBMFYSA-N 1 0 384.480 3.535 20 30 GHEDRO C#CCC1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)CCCCC1 ZINC000788450528 878075256 /nfs/dbraw/zinc/07/52/56/878075256.db2.gz QCKGXXJXVRGCFA-UHFFFAOYSA-N 1 0 383.536 3.749 20 30 GHEDRO NC(=[NH+]OCc1ncc(Br)s1)c1ccc(N2CCCCC2)cc1 ZINC000788502057 878108743 /nfs/dbraw/zinc/10/87/43/878108743.db2.gz HKTAZKJKOYYBQI-UHFFFAOYSA-N 1 0 395.326 3.733 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000086300741 878142447 /nfs/dbraw/zinc/14/24/47/878142447.db2.gz VPIQXDXEPRMIPD-UHFFFAOYSA-N 1 0 376.476 3.846 20 30 GHEDRO CCOC(=O)COc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000537721948 878196209 /nfs/dbraw/zinc/19/62/09/878196209.db2.gz SRSRTUJHLXRAAW-UHFFFAOYSA-N 1 0 376.456 3.789 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC000788643530 878205201 /nfs/dbraw/zinc/20/52/01/878205201.db2.gz KALZFZBLNVUCMC-GOSISDBHSA-N 1 0 385.508 3.857 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000451607402 878206458 /nfs/dbraw/zinc/20/64/58/878206458.db2.gz QAOOFNNLBOTLNL-NEWSRXKRSA-N 1 0 399.878 3.544 20 30 GHEDRO CC(C)[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)c1ccccc1 ZINC000788620056 878215010 /nfs/dbraw/zinc/21/50/10/878215010.db2.gz GXUANCAAHOHBHL-DNQXCXABSA-N 1 0 377.532 3.870 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000537775793 878312351 /nfs/dbraw/zinc/31/23/51/878312351.db2.gz REWHVPYVZLBVST-JTHBVZDNSA-N 1 0 378.472 3.565 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c(C#N)c1C ZINC000451705156 878340579 /nfs/dbraw/zinc/34/05/79/878340579.db2.gz HYHIBNUFOSQNBB-SJLPKXTDSA-N 1 0 394.519 3.549 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)COCC(=O)N2C[C@H](C)CC(F)(F)F ZINC001275114878 912336925 /nfs/dbraw/zinc/33/69/25/912336925.db2.gz QEHQVHWYDRQRSR-MRXNPFEDSA-N 1 0 378.479 3.849 20 30 GHEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473538 878354371 /nfs/dbraw/zinc/35/43/71/878354371.db2.gz OSTOLTLJVFUBDE-CRAIPNDOSA-N 1 0 397.416 3.853 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)ccc1F ZINC000852473451 878354465 /nfs/dbraw/zinc/35/44/65/878354465.db2.gz NWJKBJHEHZFGTK-CRAIPNDOSA-N 1 0 397.416 3.853 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)cc1 ZINC000852490911 878373517 /nfs/dbraw/zinc/37/35/17/878373517.db2.gz VWCGWGOBJDBUJD-UHFFFAOYSA-N 1 0 386.293 3.674 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000493130300 878528509 /nfs/dbraw/zinc/52/85/09/878528509.db2.gz HSDMCTOEIIXOMY-RTBURBONSA-N 1 0 396.453 3.721 20 30 GHEDRO CO[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000451834828 878547289 /nfs/dbraw/zinc/54/72/89/878547289.db2.gz ANQRZSQCRUDBEX-ZYSHUDEJSA-N 1 0 387.549 3.766 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000177239723 878614937 /nfs/dbraw/zinc/61/49/37/878614937.db2.gz BQZSDAQLWBYXSB-INIZCTEOSA-N 1 0 398.334 3.807 20 30 GHEDRO CC1CN(Cc2ccc(C#N)c(F)c2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000451893024 878632934 /nfs/dbraw/zinc/63/29/34/878632934.db2.gz SAHUDDUZRLKOBB-UHFFFAOYSA-N 1 0 380.442 3.662 20 30 GHEDRO C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852916811 878658449 /nfs/dbraw/zinc/65/84/49/878658449.db2.gz BQVYBBZLLDZKFZ-HXUWFJFHSA-N 1 0 378.438 3.632 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1c1ccccc1 ZINC000452001073 878833504 /nfs/dbraw/zinc/83/35/04/878833504.db2.gz FIBRFACKGQWZSD-ZWKOTPCHSA-N 1 0 386.398 3.548 20 30 GHEDRO CN(C)C(=O)N[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000452024794 878845710 /nfs/dbraw/zinc/84/57/10/878845710.db2.gz WMQQGPCHXADXBG-QFIPXVFZSA-N 1 0 390.531 3.622 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(COc3ccc(Cl)nc3)CC2)c1 ZINC000789316120 878847086 /nfs/dbraw/zinc/84/70/86/878847086.db2.gz XNJLQAAYOBEGIB-UHFFFAOYSA-N 1 0 398.894 3.726 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000538140177 878883085 /nfs/dbraw/zinc/88/30/85/878883085.db2.gz AOZRUINLXKQOSU-QFIPXVFZSA-N 1 0 382.460 3.704 20 30 GHEDRO CN(C(=O)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1)C1(C#N)CCCCC1 ZINC000538140203 878883142 /nfs/dbraw/zinc/88/31/42/878883142.db2.gz CRHLKGAVKRSOFL-UHFFFAOYSA-N 1 0 397.519 3.502 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](CC)CC1 ZINC000460954211 878900832 /nfs/dbraw/zinc/90/08/32/878900832.db2.gz WYMUGCIXNCDNKN-IBGZPJMESA-N 1 0 383.540 3.753 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000538152228 878921312 /nfs/dbraw/zinc/92/13/12/878921312.db2.gz VCFXNYVURSPRMJ-OAQYLSRUSA-N 1 0 395.478 3.939 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](CCCO)C2)ccc1OCc1cccc(C#N)c1 ZINC000452119821 878967856 /nfs/dbraw/zinc/96/78/56/878967856.db2.gz LIVFRJGFUJSFKZ-SFHVURJKSA-N 1 0 380.488 3.740 20 30 GHEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCC[C@@H](CC#N)C2)c1=S ZINC000853525459 879086001 /nfs/dbraw/zinc/08/60/01/879086001.db2.gz FQLJYGRXWLNTPB-DLBZAZTESA-N 1 0 378.590 3.810 20 30 GHEDRO C=CC[N@H+](Cc1cn(C)nc1-c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538281824 879179551 /nfs/dbraw/zinc/17/95/51/879179551.db2.gz APKGRMTZJAIQTQ-GOSISDBHSA-N 1 0 399.502 3.812 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc(C#N)c1 ZINC000789698907 879180866 /nfs/dbraw/zinc/18/08/66/879180866.db2.gz UGHDSNFXRVYLRG-NPMXOYFQSA-N 1 0 388.471 3.634 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](C)[C@H]2CC)c1=S ZINC000774619113 912436678 /nfs/dbraw/zinc/43/66/78/912436678.db2.gz JURCXCHLPXCCHA-QZTJIDSGSA-N 1 0 377.602 3.706 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3cccs3)C2)c(F)c1 ZINC000068990998 879387168 /nfs/dbraw/zinc/38/71/68/879387168.db2.gz ZUELQESTJRXFNK-MRXNPFEDSA-N 1 0 381.480 3.908 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(-c4ccccc4)nc3)C2)c(F)c1 ZINC000068991219 879387797 /nfs/dbraw/zinc/38/77/97/879387797.db2.gz UBWXZLQVFZEXQK-HXUWFJFHSA-N 1 0 387.462 3.913 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(-n2cccn2)cc1 ZINC000180823140 879389030 /nfs/dbraw/zinc/38/90/30/879389030.db2.gz GUMFDBFTMGQRAJ-FSTYKVKCSA-N 1 0 393.535 3.842 20 30 GHEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000538389190 879401479 /nfs/dbraw/zinc/40/14/79/879401479.db2.gz CBKWFXBGTAEWNI-UWJYYQICSA-N 1 0 386.467 3.520 20 30 GHEDRO N#Cc1ccc(C(=O)C(C(=S)Nc2ccsc2)[n+]2cccc(CO)c2)cc1 ZINC000790118438 879453055 /nfs/dbraw/zinc/45/30/55/879453055.db2.gz PMTGEOXABLSMIJ-UHFFFAOYSA-O 1 0 394.501 3.723 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000246374580 879473715 /nfs/dbraw/zinc/47/37/15/879473715.db2.gz GZYFKQVGHCQNRK-PXNSSMCTSA-N 1 0 390.959 3.557 20 30 GHEDRO COc1cc(-c2nc([C@@H]3CN(Cc4ccccc4)C[C@@H](C)O3)no2)ccc1C#N ZINC000854108293 879544297 /nfs/dbraw/zinc/54/42/97/879544297.db2.gz VVSPVXZZKPJBFA-QRWLVFNGSA-N 1 0 390.443 3.579 20 30 GHEDRO N#CCOc1ccc(CC(=O)Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000111947974 879570016 /nfs/dbraw/zinc/57/00/16/879570016.db2.gz GWMRIWKMCVXTRB-UHFFFAOYSA-N 1 0 394.471 3.602 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461446373 879836410 /nfs/dbraw/zinc/83/64/10/879836410.db2.gz CXUSKNWPNGZXJO-RTWAWAEBSA-N 1 0 391.540 3.631 20 30 GHEDRO C=CCOc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000531702318 880328778 /nfs/dbraw/zinc/32/87/78/880328778.db2.gz OWHLDZSILPXFLU-MRXNPFEDSA-N 1 0 392.293 3.543 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)ccc1OC ZINC000113211559 880408811 /nfs/dbraw/zinc/40/88/11/880408811.db2.gz PFEZSMZOLQXPDZ-UGKGYDQZSA-N 1 0 395.503 3.685 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccc(CC)cc1 ZINC000286106327 912570577 /nfs/dbraw/zinc/57/05/77/912570577.db2.gz DHDSCXXHAGNKGV-UHFFFAOYSA-O 1 0 396.458 3.889 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCSC[C@@H]1c1nccs1)C(C)C ZINC000185156603 880492137 /nfs/dbraw/zinc/49/21/37/880492137.db2.gz KQNMIHVFRQKHLL-DLBZAZTESA-N 1 0 394.610 3.641 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@]2(O)CCCc3ccccc32)c(-c2ccccc2)n1 ZINC000113340290 880518395 /nfs/dbraw/zinc/51/83/95/880518395.db2.gz RKFJWVNNYOEZQU-XMMPIXPASA-N 1 0 386.499 3.777 20 30 GHEDRO C#CCOc1ccc(C[NH2+]CC2CCN(Cc3csc(CC)n3)CC2)cc1 ZINC000113341202 880518916 /nfs/dbraw/zinc/51/89/16/880518916.db2.gz DOHRWWPAQULYRS-UHFFFAOYSA-N 1 0 383.561 3.719 20 30 GHEDRO CC#CCCCC(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000185624437 880638813 /nfs/dbraw/zinc/63/88/13/880638813.db2.gz BTANPCRYYUKGIW-UHFFFAOYSA-N 1 0 390.531 3.578 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC000286152170 912592970 /nfs/dbraw/zinc/59/29/70/912592970.db2.gz OXCDBTIQQZOYFP-VXKWHMMOSA-N 1 0 383.442 3.925 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000453348628 880820172 /nfs/dbraw/zinc/82/01/72/880820172.db2.gz FVMNDWNWUPWHIR-HIFRSBDPSA-N 1 0 391.284 3.962 20 30 GHEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000531970316 880846494 /nfs/dbraw/zinc/84/64/94/880846494.db2.gz HKZSXBNCERIIAW-XLIONFOSSA-N 1 0 394.494 3.982 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3c3cnn(C)c3)sc2C1 ZINC000173316172 880873024 /nfs/dbraw/zinc/87/30/24/880873024.db2.gz BOBBVKZUBLYDEA-KBXCAEBGSA-N 1 0 397.548 3.644 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000453462514 880962489 /nfs/dbraw/zinc/96/24/89/880962489.db2.gz HCFSEQUNNRKGIJ-VAMGGRTRSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000453468586 880975884 /nfs/dbraw/zinc/97/58/84/880975884.db2.gz UOAUQOFWMHFYLK-NRFANRHFSA-N 1 0 395.551 3.726 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453472400 880987071 /nfs/dbraw/zinc/98/70/71/880987071.db2.gz XBJSYVHJVMANAV-CVDCTZTESA-N 1 0 395.551 3.591 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000856169228 881004967 /nfs/dbraw/zinc/00/49/67/881004967.db2.gz FVVCBSQQOJMLSE-QFIPXVFZSA-N 1 0 391.515 3.699 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000113964963 881016130 /nfs/dbraw/zinc/01/61/30/881016130.db2.gz ILFYEQXEYHXDPA-ICSRJNTNSA-N 1 0 396.491 3.597 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000113980271 881021557 /nfs/dbraw/zinc/02/15/57/881021557.db2.gz QVNGVANGEHVQBD-TZIWHRDSSA-N 1 0 398.482 3.609 20 30 GHEDRO CC[C@@H]1C[C@@H](NC(=[NH2+])c2nn(Cc3ccc(OC)cc3)c3ccccc32)CCO1 ZINC001170191396 881201354 /nfs/dbraw/zinc/20/13/54/881201354.db2.gz JAKDILFJAYHYDK-ZWKOTPCHSA-N 1 0 392.503 3.756 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000453671961 881265840 /nfs/dbraw/zinc/26/58/40/881265840.db2.gz NRSGODXHAKDAHT-VXKWHMMOSA-N 1 0 391.515 3.998 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+]2CCCC2)o1 ZINC000188785256 881271892 /nfs/dbraw/zinc/27/18/92/881271892.db2.gz IQCANYPCUCBKLD-KRWDZBQOSA-N 1 0 397.479 3.624 20 30 GHEDRO COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000537626503 881278981 /nfs/dbraw/zinc/27/89/81/881278981.db2.gz VJXRHQTUIPPZBS-HSQYWUDLSA-N 1 0 378.472 3.899 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000152986302 881297500 /nfs/dbraw/zinc/29/75/00/881297500.db2.gz JRSNYLABLGPRMI-KRWDZBQOSA-N 1 0 381.545 3.983 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609529986 883319145 /nfs/dbraw/zinc/31/91/45/883319145.db2.gz ASZBXJDXRXIBKK-GHTZIAJQSA-N 1 0 382.552 3.544 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)c2)cc1 ZINC000609643805 883474997 /nfs/dbraw/zinc/47/49/97/883474997.db2.gz QAJPFHRQMFGUKW-UHFFFAOYSA-N 1 0 395.422 3.970 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000609659697 883500694 /nfs/dbraw/zinc/50/06/94/883500694.db2.gz OFGCDBPXBCHKJT-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000805029488 883542171 /nfs/dbraw/zinc/54/21/71/883542171.db2.gz QKAMSGQFKGNEEI-RTWAWAEBSA-N 1 0 395.572 3.894 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)cc1 ZINC000175318249 883603685 /nfs/dbraw/zinc/60/36/85/883603685.db2.gz LICWDCMZSFEUJP-UHFFFAOYSA-N 1 0 391.515 3.664 20 30 GHEDRO CC[C@@H]1CC(NC2(C#N)CC[NH+](C)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170476478 883636028 /nfs/dbraw/zinc/63/60/28/883636028.db2.gz FEYWQAXAGPREAU-QZTJIDSGSA-N 1 0 378.561 3.521 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000859246244 883692234 /nfs/dbraw/zinc/69/22/34/883692234.db2.gz PCFQLYNZDDOKFU-SJLPKXTDSA-N 1 0 382.426 3.566 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)Cc2ccccc2CC#N)[NH+](C)C)cc1 ZINC000805275997 883733045 /nfs/dbraw/zinc/73/30/45/883733045.db2.gz QTPNRNDZONAWHJ-QFIPXVFZSA-N 1 0 379.504 3.501 20 30 GHEDRO C=CCNc1ncc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)s1 ZINC000136245178 883750644 /nfs/dbraw/zinc/75/06/44/883750644.db2.gz UJYSWXRVBMCMDS-UHFFFAOYSA-N 1 0 384.549 3.522 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)Cc2ccccc2CC#N)[NH+](C)C)cc1 ZINC000805310667 883777258 /nfs/dbraw/zinc/77/72/58/883777258.db2.gz UAUWLWXCBBUNAO-HSZRJFAPSA-N 1 0 377.532 3.913 20 30 GHEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000194395199 883800252 /nfs/dbraw/zinc/80/02/52/883800252.db2.gz SQSDNAWDGFBQSJ-OALUTQOASA-N 1 0 394.515 3.791 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001275235097 912759782 /nfs/dbraw/zinc/75/97/82/912759782.db2.gz WLNZINBWXIIHKE-QGZVFWFLSA-N 1 0 385.817 3.588 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1cccc(F)c1 ZINC000465438397 883878499 /nfs/dbraw/zinc/87/84/99/883878499.db2.gz XIEBAYJYYYDFER-YPAWHYETSA-N 1 0 394.494 3.910 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000897602415 884054537 /nfs/dbraw/zinc/05/45/37/884054537.db2.gz OBZNRJNNDARDTN-UHFFFAOYSA-N 1 0 387.430 3.605 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000805781305 884063057 /nfs/dbraw/zinc/06/30/57/884063057.db2.gz YLWDTOVXZSBCCE-QPPBQGQZSA-N 1 0 389.543 3.927 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1OC ZINC000918653237 884094168 /nfs/dbraw/zinc/09/41/68/884094168.db2.gz GTXKYVZUILRHBQ-SJAUKRLSSA-N 1 0 398.478 3.831 20 30 GHEDRO C[NH+]1CCC(CNC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000760479712 884146308 /nfs/dbraw/zinc/14/63/08/884146308.db2.gz RHVNWRVGYBXZBE-UHFFFAOYSA-N 1 0 380.517 3.979 20 30 GHEDRO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1 ZINC000192036086 884231145 /nfs/dbraw/zinc/23/11/45/884231145.db2.gz KPELERPKRYYWGC-HNNXBMFYSA-N 1 0 399.516 3.990 20 30 GHEDRO N#C[C@@H](COC(=O)C1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000805937913 884236435 /nfs/dbraw/zinc/23/64/35/884236435.db2.gz PKSYNGVXOMVRJC-AWEZNQCLSA-N 1 0 391.309 3.549 20 30 GHEDRO CC(C)c1[nH+]c(CN2CCN(c3ccc(C#N)cc3F)CC2)c2ccccn21 ZINC000556270715 884300537 /nfs/dbraw/zinc/30/05/37/884300537.db2.gz CBNIOXQSKIYKIZ-UHFFFAOYSA-N 1 0 377.467 3.791 20 30 GHEDRO Cc1cccc(N2CCN(CCC[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000237486831 884301625 /nfs/dbraw/zinc/30/16/25/884301625.db2.gz VMVWYJLGEFDPLD-NRFANRHFSA-N 1 0 392.547 3.588 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl ZINC000263163257 884305403 /nfs/dbraw/zinc/30/54/03/884305403.db2.gz QXNMUGFBPRTMLX-QMMMGPOBSA-N 1 0 392.212 3.968 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000666233861 884307368 /nfs/dbraw/zinc/30/73/68/884307368.db2.gz YISKDQQIFNRTPR-KDURUIRLSA-N 1 0 384.524 3.552 20 30 GHEDRO [NH2+]=C(NCC1(c2ccc(Br)cc2Cl)CC1)Nc1ccccn1 ZINC000263175712 884364407 /nfs/dbraw/zinc/36/44/07/884364407.db2.gz SQLLFALDBPUVOV-UHFFFAOYSA-N 1 0 379.689 3.956 20 30 GHEDRO N#Cc1cc[nH]c1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183792150 912820832 /nfs/dbraw/zinc/82/08/32/912820832.db2.gz GQEAZLRGQPPRFD-RTWAWAEBSA-N 1 0 388.446 3.880 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)ccc1OC ZINC000806147524 884406625 /nfs/dbraw/zinc/40/66/25/884406625.db2.gz XXHHMNIWANNJDG-OXJNMPFZSA-N 1 0 391.475 3.808 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(F)cc1 ZINC000102803020 884467465 /nfs/dbraw/zinc/46/74/65/884467465.db2.gz SLQSEVUBOXCBBG-INIZCTEOSA-N 1 0 392.381 3.723 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=Nn2c(C)nc3sccc3c2=O)c1C ZINC000914694168 884528783 /nfs/dbraw/zinc/52/87/83/884528783.db2.gz ZMTPPPLVFJRAPL-SFHVURJKSA-N 1 0 397.548 3.551 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)C(C)C ZINC000044141043 884749162 /nfs/dbraw/zinc/74/91/62/884749162.db2.gz KRLBUYMXQMRVLV-OAQYLSRUSA-N 1 0 398.551 3.743 20 30 GHEDRO C#CCC(CC#C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000806610071 884849307 /nfs/dbraw/zinc/84/93/07/884849307.db2.gz LQKKTRWHCUKZTP-LJQANCHMSA-N 1 0 378.438 3.867 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000615229128 884869952 /nfs/dbraw/zinc/86/99/52/884869952.db2.gz MXXSGWYHVKRGSW-SJKOYZFVSA-N 1 0 393.256 3.550 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1)C(C)C ZINC000106464078 885070136 /nfs/dbraw/zinc/07/01/36/885070136.db2.gz DFVOJQQSBRGPIL-IBGZPJMESA-N 1 0 381.524 3.559 20 30 GHEDRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000130792813 885134979 /nfs/dbraw/zinc/13/49/79/885134979.db2.gz FRBFMLQSFJDELW-CQSZACIVSA-N 1 0 398.370 3.624 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000103862766 885184267 /nfs/dbraw/zinc/18/42/67/885184267.db2.gz XAENEGYKDMHWJC-GOSISDBHSA-N 1 0 398.551 3.622 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)cc(OC)c1O ZINC000428556480 885226904 /nfs/dbraw/zinc/22/69/04/885226904.db2.gz DQKIYHSOEVMNLD-OAQYLSRUSA-N 1 0 398.572 3.837 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC[C@@H]21 ZINC000610815157 885301693 /nfs/dbraw/zinc/30/16/93/885301693.db2.gz KOCBSZQSAKSUOD-PXNSSMCTSA-N 1 0 391.475 3.694 20 30 GHEDRO C=CCOc1c(Cl)cc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC ZINC000623425106 885364867 /nfs/dbraw/zinc/36/48/67/885364867.db2.gz ROMRPKSVFHLBNS-INIZCTEOSA-N 1 0 394.943 3.504 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460396363 885398312 /nfs/dbraw/zinc/39/83/12/885398312.db2.gz YFWHOYPJGOLCIO-UHFFFAOYSA-N 1 0 390.535 3.950 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537561887 885418981 /nfs/dbraw/zinc/41/89/81/885418981.db2.gz PDGXVPUJLCNKBJ-IEBWSBKVSA-N 1 0 387.572 3.845 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000108504912 885762652 /nfs/dbraw/zinc/76/26/52/885762652.db2.gz LIECVWRESHOOTO-FQEVSTJZSA-N 1 0 392.503 3.795 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000556667582 885846223 /nfs/dbraw/zinc/84/62/23/885846223.db2.gz HYSZNXHCFMLJBQ-MOPGFXCFSA-N 1 0 397.544 3.579 20 30 GHEDRO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c([N+](=O)[O-])c1 ZINC000532499372 885875196 /nfs/dbraw/zinc/87/51/96/885875196.db2.gz QSEOOEOFJBRXJZ-UHFFFAOYSA-N 1 0 396.447 3.572 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000532499852 885879676 /nfs/dbraw/zinc/87/96/76/885879676.db2.gz YELWHNVJKUAQLT-UHFFFAOYSA-N 1 0 380.448 3.587 20 30 GHEDRO C#CCCCCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000155012867 885905906 /nfs/dbraw/zinc/90/59/06/885905906.db2.gz ZBEBIGRMRAYICW-UHFFFAOYSA-N 1 0 381.442 3.726 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)nc1 ZINC000495484248 885932898 /nfs/dbraw/zinc/93/28/98/885932898.db2.gz GMRLINYHBNUJTH-HXUWFJFHSA-N 1 0 394.519 3.645 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)/C=C\c3ccccc3C#N)C2)s1 ZINC000808060968 885962290 /nfs/dbraw/zinc/96/22/90/885962290.db2.gz SEQLQUANPWAGKF-IZTUGPKFSA-N 1 0 379.529 3.922 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194967899 885985213 /nfs/dbraw/zinc/98/52/13/885985213.db2.gz XQQCZSRHKKXOGR-UHFFFAOYSA-N 1 0 378.432 3.768 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC000106341268 886032975 /nfs/dbraw/zinc/03/29/75/886032975.db2.gz QCYOLIAMBJXLJV-UHFFFAOYSA-N 1 0 382.508 3.757 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487933276 886134539 /nfs/dbraw/zinc/13/45/39/886134539.db2.gz INFRMNLPVBSXJK-UHFFFAOYSA-N 1 0 379.302 3.707 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000487966094 886578232 /nfs/dbraw/zinc/57/82/32/886578232.db2.gz HTVGVCIDYNKCKJ-UHFFFAOYSA-N 1 0 391.313 3.849 20 30 GHEDRO C=CCNc1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000131968272 886622017 /nfs/dbraw/zinc/62/20/17/886622017.db2.gz QRDBNCRADNZDJG-OALUTQOASA-N 1 0 396.560 3.868 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)ccc1OC ZINC000237344608 886938751 /nfs/dbraw/zinc/93/87/51/886938751.db2.gz QNNMYIIPNWZRSN-OAHLLOKOSA-N 1 0 382.460 3.832 20 30 GHEDRO CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1c(C)noc1C ZINC000129178955 887268338 /nfs/dbraw/zinc/26/83/38/887268338.db2.gz UWEDJZXIVHFEKJ-FQEVSTJZSA-N 1 0 395.507 3.532 20 30 GHEDRO C=CCOCCCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001131711998 887453847 /nfs/dbraw/zinc/45/38/47/887453847.db2.gz NKRMRZYKUVBAOA-KRWDZBQOSA-N 1 0 395.341 3.641 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC001168500691 887563825 /nfs/dbraw/zinc/56/38/25/887563825.db2.gz JCRQTRZMCZVNOC-HZPDHXFCSA-N 1 0 383.414 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC001168500690 887564004 /nfs/dbraw/zinc/56/40/04/887564004.db2.gz JCRQTRZMCZVNOC-HOTGVXAUSA-N 1 0 383.414 3.978 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1)C(C)C ZINC000809685544 887702789 /nfs/dbraw/zinc/70/27/89/887702789.db2.gz ZMOVFXYUYXHZQZ-HXUWFJFHSA-N 1 0 380.488 3.850 20 30 GHEDRO Cn1cc(CN(CCc2ccccc2)CC[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000809730953 887712555 /nfs/dbraw/zinc/71/25/55/887712555.db2.gz LOERVRQSYCEZGE-UHFFFAOYSA-N 1 0 387.531 3.565 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCc3ccccc32)cc1OCCCC#N ZINC000120005634 887733496 /nfs/dbraw/zinc/73/34/96/887733496.db2.gz LSJIYSLYRGGUCA-GOSISDBHSA-N 1 0 379.504 3.919 20 30 GHEDRO CCC[N@H+](C)[C@@H](C/N=C/c1c(O)c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000794678439 887750000 /nfs/dbraw/zinc/75/00/00/887750000.db2.gz BGCQRYPMQXHAHV-QKXOWGBTSA-N 1 0 375.900 3.743 20 30 GHEDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000809779095 887830999 /nfs/dbraw/zinc/83/09/99/887830999.db2.gz DDGJDQZCYUSTCA-OAQYLSRUSA-N 1 0 393.487 3.848 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1OC(F)F ZINC000091792436 887919552 /nfs/dbraw/zinc/91/95/52/887919552.db2.gz LWQWNUOUFCHSPY-UHFFFAOYSA-N 1 0 387.430 3.881 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3cc[nH]n3)C1)CCCCC2 ZINC000193996004 887944278 /nfs/dbraw/zinc/94/42/78/887944278.db2.gz VGSROSIKVSBOTM-HNNXBMFYSA-N 1 0 397.548 3.820 20 30 GHEDRO N#CC1(NC(=O)CCCCOc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001184369044 913199012 /nfs/dbraw/zinc/19/90/12/913199012.db2.gz FMHUHMPRNBBPHE-UHFFFAOYSA-N 1 0 391.515 3.910 20 30 GHEDRO O/N=C/c1cccc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001170594080 888055133 /nfs/dbraw/zinc/05/51/33/888055133.db2.gz AUDNBKKCDXIUGC-AQPAOHHBSA-N 1 0 389.499 3.970 20 30 GHEDRO N#CCc1cncc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001170594901 888083910 /nfs/dbraw/zinc/08/39/10/888083910.db2.gz GNJBYTWWLMVLRZ-XMMPIXPASA-N 1 0 386.499 3.623 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810129311 888196155 /nfs/dbraw/zinc/19/61/55/888196155.db2.gz UJZBWYPUNDQKSN-QGZVFWFLSA-N 1 0 390.487 3.755 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000532700190 888331495 /nfs/dbraw/zinc/33/14/95/888331495.db2.gz MDQDJWRXTZZARB-ZRNYENFQSA-N 1 0 389.609 3.988 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532700993 888342067 /nfs/dbraw/zinc/34/20/67/888342067.db2.gz SYQRULZLJYGRNV-DYQZNNLLSA-N 1 0 382.552 3.659 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc(OC)c1OC ZINC000865449794 888359568 /nfs/dbraw/zinc/35/95/68/888359568.db2.gz CHWRSNKBWHJXTC-UHFFFAOYSA-N 1 0 394.515 3.958 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000865696155 888521044 /nfs/dbraw/zinc/52/10/44/888521044.db2.gz XGZPIHWEDMGPHW-UHFFFAOYSA-N 1 0 384.524 3.516 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)c2ccccc2)CC1 ZINC000120700562 888529998 /nfs/dbraw/zinc/52/99/98/888529998.db2.gz ARCKVISAHSBNSZ-QHCPKHFHSA-N 1 0 391.515 3.721 20 30 GHEDRO C[NH+](C)CCOc1ccc(CN=Nc2ncnc3c4ccccc4oc32)cc1 ZINC000915956572 888573611 /nfs/dbraw/zinc/57/36/11/888573611.db2.gz WNLJMPYZCORIGZ-UHFFFAOYSA-N 1 0 375.432 3.762 20 30 GHEDRO COc1cc(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)ccc1OCc1ccncc1 ZINC000865849435 888609764 /nfs/dbraw/zinc/60/97/64/888609764.db2.gz UVSIOJKATALKGW-QFIPXVFZSA-N 1 0 385.467 3.798 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000120962372 888794037 /nfs/dbraw/zinc/79/40/37/888794037.db2.gz AJAGIODVSIGELM-UHFFFAOYSA-N 1 0 390.531 3.565 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000032762500 888804018 /nfs/dbraw/zinc/80/40/18/888804018.db2.gz OIRQKBOKYLFARJ-KRWDZBQOSA-N 1 0 386.517 3.888 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000866354797 888843369 /nfs/dbraw/zinc/84/33/69/888843369.db2.gz OEIAOOFPZMEZJW-QGZVFWFLSA-N 1 0 399.963 3.546 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001184563806 913291973 /nfs/dbraw/zinc/29/19/73/913291973.db2.gz KZKHYGOVXPKWQW-GOSISDBHSA-N 1 0 385.855 3.951 20 30 GHEDRO CN(C)c1ccc(C(N)=[NH+]OCc2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000774751719 913296740 /nfs/dbraw/zinc/29/67/40/913296740.db2.gz QWSWCLRKIJCISW-UHFFFAOYSA-N 1 0 388.443 3.991 20 30 GHEDRO N#CCc1ccsc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000866714798 889015858 /nfs/dbraw/zinc/01/58/58/889015858.db2.gz XPQACQQEVYQLHN-PMACEKPBSA-N 1 0 379.529 3.941 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)CC1 ZINC000121236904 889040656 /nfs/dbraw/zinc/04/06/56/889040656.db2.gz OZZISBPNTYTBLV-UHFFFAOYSA-N 1 0 377.492 3.980 20 30 GHEDRO N#Cc1cc(NC(=O)NCCCCC[NH+]2CCCC2)ccc1OCC(F)(F)F ZINC000454423446 889040968 /nfs/dbraw/zinc/04/09/68/889040968.db2.gz DQTWKWAHHWBHQU-UHFFFAOYSA-N 1 0 398.429 3.887 20 30 GHEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1cccc(F)c1 ZINC000121601114 889050779 /nfs/dbraw/zinc/05/07/79/889050779.db2.gz BAFWYWJXIGIYEI-JOCHJYFZSA-N 1 0 391.494 3.995 20 30 GHEDRO CN1Cc2ccccc2[C@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001132621758 889202099 /nfs/dbraw/zinc/20/20/99/889202099.db2.gz JCCOUXSDMHYMEH-OAQYLSRUSA-N 1 0 387.439 3.647 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1F ZINC000868128328 889311349 /nfs/dbraw/zinc/31/13/49/889311349.db2.gz LELNKWLZRPWZDF-ROUUACIJSA-N 1 0 380.423 3.848 20 30 GHEDRO C=CCc1cc(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc(OC)c1OC ZINC000868186740 889342672 /nfs/dbraw/zinc/34/26/72/889342672.db2.gz QUFVDQBOFZYAII-RBUKOAKNSA-N 1 0 381.476 3.569 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C(F)(F)F)c1 ZINC000868208834 889353236 /nfs/dbraw/zinc/35/32/36/889353236.db2.gz CLESLQHSEVJCAF-MSOLQXFVSA-N 1 0 390.409 3.941 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CC2CCC2)cc1 ZINC000532981973 889456161 /nfs/dbraw/zinc/45/61/61/889456161.db2.gz FGHXIURXIMPSSZ-UHFFFAOYSA-N 1 0 380.492 3.645 20 30 GHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCc1cncn1C ZINC000287463408 913353419 /nfs/dbraw/zinc/35/34/19/913353419.db2.gz HJOIYNMRXHGRAF-UHFFFAOYSA-N 1 0 389.912 3.765 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)sc2c1CCCC2 ZINC000533080711 889707568 /nfs/dbraw/zinc/70/75/68/889707568.db2.gz QSUPNLHJMDGARH-JKSUJKDBSA-N 1 0 387.549 3.576 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)Nc2ccc(C#N)cc2)CC3)cs1 ZINC001184725722 913394965 /nfs/dbraw/zinc/39/49/65/913394965.db2.gz NPPBXGVVQLGCJA-UHFFFAOYSA-N 1 0 395.532 3.986 20 30 GHEDRO N#Cc1c(C#N)c2c(nc1NC1CC[NH+](C[C@@H]3CCCO3)CC1)CCCCCC2 ZINC000795077849 889934314 /nfs/dbraw/zinc/93/43/14/889934314.db2.gz QDPLYXRQOCPGEN-SFHVURJKSA-N 1 0 393.535 3.539 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCc4cc(F)cc(F)c4C3)CC2)cc1 ZINC001170656586 890226811 /nfs/dbraw/zinc/22/68/11/890226811.db2.gz BGLLONMJCZFHKY-NRFANRHFSA-N 1 0 381.470 3.948 20 30 GHEDRO N#CC1(N[C@H]2CCc3cc(F)cc(F)c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001170668334 890464667 /nfs/dbraw/zinc/46/46/67/890464667.db2.gz GRCNURKJUSTWFB-FQEVSTJZSA-N 1 0 381.470 3.970 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000871099212 890643176 /nfs/dbraw/zinc/64/31/76/890643176.db2.gz QIFGUVCRPRSJKP-ICSRJNTNSA-N 1 0 388.519 3.600 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000871100191 890643633 /nfs/dbraw/zinc/64/36/33/890643633.db2.gz LDYMIPJYGNWISZ-LJQANCHMSA-N 1 0 375.561 3.510 20 30 GHEDRO C=CCc1cc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1O ZINC000127128083 890905996 /nfs/dbraw/zinc/90/59/96/890905996.db2.gz VNYUIBWGQHYRSJ-INIZCTEOSA-N 1 0 378.476 3.903 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000812762004 890912688 /nfs/dbraw/zinc/91/26/88/890912688.db2.gz REVRXSNINZLVGY-VGSWGCGISA-N 1 0 385.508 3.953 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)CC1 ZINC001170686077 890924474 /nfs/dbraw/zinc/92/44/74/890924474.db2.gz VUVWLEJHIPYBOF-QGZVFWFLSA-N 1 0 376.447 3.543 20 30 GHEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 ZINC000812793194 890987186 /nfs/dbraw/zinc/98/71/86/890987186.db2.gz OHEMBDSCRCKWFF-VFNWGFHPSA-N 1 0 393.462 3.855 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000812799476 890994068 /nfs/dbraw/zinc/99/40/68/890994068.db2.gz JTDHEEGVPRNUGU-DLBZAZTESA-N 1 0 378.476 3.748 20 30 GHEDRO N#CCc1ccnc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000871734506 890995989 /nfs/dbraw/zinc/99/59/89/890995989.db2.gz HAJALOCIJDKBIF-HXUWFJFHSA-N 1 0 389.503 3.571 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cccc(Br)n3)CC2)C1=O ZINC001275351061 913511611 /nfs/dbraw/zinc/51/16/11/913511611.db2.gz LXXZKMSUBWDONP-LJQANCHMSA-N 1 0 392.341 3.625 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[NH+]2CCCC2)cc1 ZINC000455536267 891102791 /nfs/dbraw/zinc/10/27/91/891102791.db2.gz IDDAWMISRRVDPG-NRFANRHFSA-N 1 0 380.467 3.642 20 30 GHEDRO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1C ZINC000813017121 891218152 /nfs/dbraw/zinc/21/81/52/891218152.db2.gz DLHZUYLDESFBKR-NRFANRHFSA-N 1 0 383.471 3.512 20 30 GHEDRO C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C[NH+](C)C)c(F)c3)n[nH]2)c1C ZINC001137058229 891243690 /nfs/dbraw/zinc/24/36/90/891243690.db2.gz IGRFRSVECJEVTE-UHFFFAOYSA-N 1 0 396.470 3.529 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1=S ZINC000872723496 891312992 /nfs/dbraw/zinc/31/29/92/891312992.db2.gz LUVJDZNLYCAFKI-OALUTQOASA-N 1 0 383.565 3.559 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]([C@H](C)CO)C1CCCC1 ZINC000287803898 913544952 /nfs/dbraw/zinc/54/49/52/913544952.db2.gz OPWBQTWTPCREHK-HZPDHXFCSA-N 1 0 375.538 3.645 20 30 GHEDRO CCCCCCCOc1cccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1 ZINC000747854613 891567758 /nfs/dbraw/zinc/56/77/58/891567758.db2.gz SEUUGRJPYLYHRD-UHFFFAOYSA-N 1 0 382.570 3.549 20 30 GHEDRO C=CCn1c(Cc2ccccc2O)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873661318 891733348 /nfs/dbraw/zinc/73/33/48/891733348.db2.gz GPPMQGQRGORNEG-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873698135 891761455 /nfs/dbraw/zinc/76/14/55/891761455.db2.gz VNSNHVGHFKAKAH-IBGZPJMESA-N 1 0 387.572 3.941 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)ccc1OC ZINC000813860795 892032945 /nfs/dbraw/zinc/03/29/45/892032945.db2.gz VRCPSSDFJWVLHQ-JXFKEZNVSA-N 1 0 395.503 3.929 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000068271185 892129931 /nfs/dbraw/zinc/12/99/31/892129931.db2.gz KWBBQFQHWLKKPK-UHFFFAOYSA-N 1 0 395.551 3.503 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000497690388 892167061 /nfs/dbraw/zinc/16/70/61/892167061.db2.gz WFPNYPRINUQYBQ-SFHVURJKSA-N 1 0 387.549 3.993 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1OC ZINC000814161601 892355247 /nfs/dbraw/zinc/35/52/47/892355247.db2.gz TYTLXSWTANQYIF-CKDFRHGISA-N 1 0 384.520 3.606 20 30 GHEDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C(F)(F)F)c1 ZINC000814170700 892367037 /nfs/dbraw/zinc/36/70/37/892367037.db2.gz AVGJOKQSQURXBB-KRWDZBQOSA-N 1 0 390.409 3.691 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc(N(C)C)cc1 ZINC000154479256 892377799 /nfs/dbraw/zinc/37/77/99/892377799.db2.gz JXPVPLDLUGINKK-QGZVFWFLSA-O 1 0 384.569 3.984 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000125225829 892385151 /nfs/dbraw/zinc/38/51/51/892385151.db2.gz NDGPQSRZVXXHPB-YFZFPPMRSA-N 1 0 383.879 3.692 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC000875092071 892446292 /nfs/dbraw/zinc/44/62/92/892446292.db2.gz RHLNZCACKCKFDU-SFHVURJKSA-N 1 0 390.409 3.723 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(CO)c1 ZINC000154501026 892450997 /nfs/dbraw/zinc/45/09/97/892450997.db2.gz RAVBEPTVGPPBGA-MRXNPFEDSA-O 1 0 385.553 3.917 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000154502990 892454179 /nfs/dbraw/zinc/45/41/79/892454179.db2.gz AGYNYHYNFNFTTK-ZDUSSCGKSA-O 1 0 392.495 3.645 20 30 GHEDRO COC(=O)c1cccc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC000533759635 892836509 /nfs/dbraw/zinc/83/65/09/892836509.db2.gz WMLMEPHKVXBMHW-SFHVURJKSA-N 1 0 383.536 3.821 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933645992 893113781 /nfs/dbraw/zinc/11/37/81/893113781.db2.gz AJYNDHMFHZTWGA-IYARVYRRSA-N 1 0 392.540 3.655 20 30 GHEDRO N#Cc1ncc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000455756481 893184833 /nfs/dbraw/zinc/18/48/33/893184833.db2.gz NYVZYHFLYKNSOB-UHFFFAOYSA-N 1 0 383.883 3.914 20 30 GHEDRO CC(=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000814800837 893185795 /nfs/dbraw/zinc/18/57/95/893185795.db2.gz OBVADSCFFKELRT-UHFFFAOYSA-N 1 0 399.438 3.878 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000455771297 893252587 /nfs/dbraw/zinc/25/25/87/893252587.db2.gz YOOHPIJCDQNEGY-HNNXBMFYSA-N 1 0 383.883 3.592 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)c(OC)c1 ZINC000562995546 893254109 /nfs/dbraw/zinc/25/41/09/893254109.db2.gz VIIQZKIUNFHTHV-VQTJNVASSA-N 1 0 389.536 3.635 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455781255 893265861 /nfs/dbraw/zinc/26/58/61/893265861.db2.gz IWJOOBJFUYDJIS-LSDHHAIUSA-N 1 0 375.904 3.725 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455782949 893268204 /nfs/dbraw/zinc/26/82/04/893268204.db2.gz KOXGSMFQALUELV-UHFFFAOYSA-N 1 0 392.290 3.856 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876797072 893332177 /nfs/dbraw/zinc/33/21/77/893332177.db2.gz MFNWAZJPMAQBDE-DNQXCXABSA-N 1 0 375.516 3.919 20 30 GHEDRO CN(Cc1ccc(C#N)cc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000778221654 893379656 /nfs/dbraw/zinc/37/96/56/893379656.db2.gz VZCLSESZYYHARP-HNNXBMFYSA-N 1 0 394.313 3.762 20 30 GHEDRO COc1ccccc1N1CCC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000934181048 893444538 /nfs/dbraw/zinc/44/45/38/893444538.db2.gz YYVVQIWAVVXUKE-DEOSSOPVSA-N 1 0 391.515 3.648 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137115253 893462805 /nfs/dbraw/zinc/46/28/05/893462805.db2.gz FFIZAKAKSZEZOF-UHFFFAOYSA-N 1 0 385.508 3.954 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OC)c(OCC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675135 893512824 /nfs/dbraw/zinc/51/28/24/893512824.db2.gz POKRRCRNEVXXQD-KRWDZBQOSA-N 1 0 393.491 3.819 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000536731106 893642141 /nfs/dbraw/zinc/64/21/41/893642141.db2.gz HPBXVTVCMMDWKF-LEWJYISDSA-N 1 0 391.515 3.669 20 30 GHEDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000536724359 893662817 /nfs/dbraw/zinc/66/28/17/893662817.db2.gz HRWTZLVZMIPLAP-ZWKOTPCHSA-N 1 0 379.504 3.670 20 30 GHEDRO C#CCCCCCC[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000877567099 893692819 /nfs/dbraw/zinc/69/28/19/893692819.db2.gz GCBPCSFRQCXIHX-IBGZPJMESA-N 1 0 390.593 3.789 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000877605931 893712339 /nfs/dbraw/zinc/71/23/39/893712339.db2.gz LSIJLMKJIOHDBX-KRWDZBQOSA-N 1 0 387.524 3.900 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1C ZINC000459537336 893715377 /nfs/dbraw/zinc/71/53/77/893715377.db2.gz UBMFHJUOTQMOGJ-JOCHJYFZSA-N 1 0 385.552 3.717 20 30 GHEDRO CCOc1cc(C[NH2+]CCc2cccc(C#N)c2)cc(Br)c1O ZINC000459521069 893720250 /nfs/dbraw/zinc/72/02/50/893720250.db2.gz CWUYPTKKOKAVPP-UHFFFAOYSA-N 1 0 375.266 3.757 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877660122 893749756 /nfs/dbraw/zinc/74/97/56/893749756.db2.gz DUUNLYSZBVIWQG-MJGOQNOKSA-N 1 0 379.545 3.664 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](CC#N)c3ccccc3)c3cnccc32)CC1 ZINC001135005520 893793049 /nfs/dbraw/zinc/79/30/49/893793049.db2.gz YXAUNNXFGZIDNN-IBGZPJMESA-N 1 0 399.498 3.623 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[NH2+]CC(C)(C)CCC#N)C2)CC1 ZINC000877810131 893821830 /nfs/dbraw/zinc/82/18/30/893821830.db2.gz PCTUMUGOMAUEKU-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cc(OC)c(Cl)cc3F)CC2)C1=O ZINC001275421191 913814084 /nfs/dbraw/zinc/81/40/84/913814084.db2.gz BCGJMJLSUDOUEB-UHFFFAOYSA-N 1 0 380.891 3.878 20 30 GHEDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000459637019 893948158 /nfs/dbraw/zinc/94/81/58/893948158.db2.gz HVDNFGLCLRQIBD-MSOLQXFVSA-N 1 0 382.483 3.857 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459637212 893951701 /nfs/dbraw/zinc/95/17/01/893951701.db2.gz IDJTXGIANXWMML-YOEHRIQHSA-N 1 0 395.425 3.566 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000878171438 894070779 /nfs/dbraw/zinc/07/07/79/894070779.db2.gz LBEHTYVZIRDWLI-RPWUZVMVSA-N 1 0 375.516 3.633 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CC1 ZINC000815675055 894104375 /nfs/dbraw/zinc/10/43/75/894104375.db2.gz XTMQYUGMPWPVIA-UHFFFAOYSA-N 1 0 389.927 3.664 20 30 GHEDRO COc1cccc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000537027498 894233624 /nfs/dbraw/zinc/23/36/24/894233624.db2.gz AEFPIHKQJSDBGN-HNNXBMFYSA-N 1 0 390.405 3.533 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC ZINC000537066210 894285806 /nfs/dbraw/zinc/28/58/06/894285806.db2.gz UGJUMHJOONHRMK-CYBMUJFWSA-N 1 0 387.867 3.908 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@@H]21 ZINC000878471806 894317551 /nfs/dbraw/zinc/31/75/51/894317551.db2.gz BFQAVLRJFZUZNB-UTKZUKDTSA-N 1 0 376.460 3.908 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1CC ZINC000022795740 894406626 /nfs/dbraw/zinc/40/66/26/894406626.db2.gz DGHYWIGRYKTFOB-UHFFFAOYSA-O 1 0 384.481 3.549 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)c(F)c1 ZINC000537302517 894735102 /nfs/dbraw/zinc/73/51/02/894735102.db2.gz ADVDLCHOHXTOPS-VDNIUXDYSA-N 1 0 380.423 3.877 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC(=O)N(Cc3ccccc3C(F)(F)F)C1)CC2 ZINC000564558477 895080847 /nfs/dbraw/zinc/08/08/47/895080847.db2.gz KQYYLZLIQAGBPH-XLIONFOSSA-N 1 0 399.416 3.955 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(C)C)N(C)C ZINC000054538009 895119161 /nfs/dbraw/zinc/11/91/61/895119161.db2.gz SSXZSIOBABUJDP-LJQANCHMSA-N 1 0 396.491 3.778 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000879548396 895126059 /nfs/dbraw/zinc/12/60/59/895126059.db2.gz CWHSVANDTLAVIY-IBGZPJMESA-N 1 0 376.928 3.666 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000564662419 895162391 /nfs/dbraw/zinc/16/23/91/895162391.db2.gz YWGNDMPODAGXHA-UHFFFAOYSA-N 1 0 375.516 3.552 20 30 GHEDRO C=CC1(CC(=O)NCC2([NH+](C)C)CCCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001135793657 895265728 /nfs/dbraw/zinc/26/57/28/895265728.db2.gz HQCVFESWEDJFPT-UHFFFAOYSA-N 1 0 393.572 3.570 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000879755688 895274601 /nfs/dbraw/zinc/27/46/01/895274601.db2.gz OARAPBAERGEPIV-ZWKOTPCHSA-N 1 0 377.529 3.561 20 30 GHEDRO C#C[C@H](NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC001275447207 913969504 /nfs/dbraw/zinc/96/95/04/913969504.db2.gz FBFPCYNABUOFHA-MYHKYFONSA-N 1 0 382.891 3.784 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000880097360 895510904 /nfs/dbraw/zinc/51/09/04/895510904.db2.gz PIZXICQOKWUIQJ-CQSZACIVSA-N 1 0 376.382 3.698 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCCCCC1 ZINC001135928968 895653939 /nfs/dbraw/zinc/65/39/39/895653939.db2.gz LTJFDCSYUOBWIP-SFHVURJKSA-N 1 0 381.561 3.618 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCOC1 ZINC000880464726 895718335 /nfs/dbraw/zinc/71/83/35/895718335.db2.gz IPOIUTAQIFUUML-PBHICJAKSA-N 1 0 375.538 3.622 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)C)[C@H](C)C1 ZINC000565709691 895827554 /nfs/dbraw/zinc/82/75/54/895827554.db2.gz JRUQWTJDZACLIU-YLJYHZDGSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCCCCCCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817784499 895905227 /nfs/dbraw/zinc/90/52/27/895905227.db2.gz XGRBTZGDEZFQTQ-UHFFFAOYSA-N 1 0 378.605 3.715 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC001136025959 895928293 /nfs/dbraw/zinc/92/82/93/895928293.db2.gz FUJVOOXZSQJUHW-RTWAWAEBSA-N 1 0 377.463 3.809 20 30 GHEDRO N#CCC1CC[NH+](CC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000565856513 895932998 /nfs/dbraw/zinc/93/29/98/895932998.db2.gz UYFKCRLYXHSUGH-UHFFFAOYSA-N 1 0 377.488 3.507 20 30 GHEDRO C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001170881746 895941621 /nfs/dbraw/zinc/94/16/21/895941621.db2.gz LZDMIYKCBRVDAS-PKOBYXMFSA-N 1 0 387.524 3.810 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC001136081969 895993502 /nfs/dbraw/zinc/99/35/02/895993502.db2.gz XODKFNQGQWLRTO-CVDCTZTESA-N 1 0 377.532 3.806 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)[C@H](C)C1 ZINC000880926556 896004025 /nfs/dbraw/zinc/00/40/25/896004025.db2.gz ACLCUTUHRUCETR-COXVUDFISA-N 1 0 382.430 3.533 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000880930624 896008736 /nfs/dbraw/zinc/00/87/36/896008736.db2.gz WSAPJNYFIYARTQ-CXAGYDPISA-N 1 0 382.430 3.533 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000880991689 896051994 /nfs/dbraw/zinc/05/19/94/896051994.db2.gz HOZZJYABDMHASJ-HNNXBMFYSA-N 1 0 381.455 3.748 20 30 GHEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccccc1 ZINC000566024165 896053267 /nfs/dbraw/zinc/05/32/67/896053267.db2.gz JIZFPQFINJBLHD-SFTDATJTSA-N 1 0 383.517 3.736 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)ccc1OC ZINC000818186404 896068544 /nfs/dbraw/zinc/06/85/44/896068544.db2.gz GMDHBCCTIAASEH-OAHLLOKOSA-N 1 0 390.386 3.987 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3Cc3ccccc3Br)cnc12 ZINC000566242091 896195283 /nfs/dbraw/zinc/19/52/83/896195283.db2.gz FKULMTGQLIYWFT-KRWDZBQOSA-N 1 0 396.292 3.571 20 30 GHEDRO COC(=O)c1cccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1C#N ZINC000566306016 896227714 /nfs/dbraw/zinc/22/77/14/896227714.db2.gz DHKPTNWEBUNIMN-KRWDZBQOSA-N 1 0 397.544 3.669 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)c1 ZINC000819068185 896385213 /nfs/dbraw/zinc/38/52/13/896385213.db2.gz PESVVJXKTUTQNS-NHCUHLMSSA-N 1 0 382.504 3.822 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000819068066 896385228 /nfs/dbraw/zinc/38/52/28/896385228.db2.gz OQWRHFZJMPDZAG-LGVFNWMJSA-N 1 0 394.515 3.912 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2scnc2C2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001185707400 914062123 /nfs/dbraw/zinc/06/21/23/914062123.db2.gz ZZRYODMAULUYAS-IYARVYRRSA-N 1 0 380.517 3.804 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](C)C[NH+]2CCCC2)s1 ZINC000819130056 896428957 /nfs/dbraw/zinc/42/89/57/896428957.db2.gz FEKBFKJYZLSZJZ-LBPRGKRZSA-N 1 0 388.002 3.687 20 30 GHEDRO CN1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000819195419 896467368 /nfs/dbraw/zinc/46/73/68/896467368.db2.gz CKUDVRDMHRWJGR-UIFIKXQLSA-N 1 0 387.886 3.667 20 30 GHEDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC(=O)N1Cc1ccccc1 ZINC000566710353 896511846 /nfs/dbraw/zinc/51/18/46/896511846.db2.gz WCJGMSHCXOQIEP-LIRRHRJNSA-N 1 0 387.405 3.856 20 30 GHEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000566734172 896532813 /nfs/dbraw/zinc/53/28/13/896532813.db2.gz WAWAXMYNYMCWSI-CQSZACIVSA-N 1 0 396.434 3.744 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)C[NH+](CC)CC)s1 ZINC000819280379 896565526 /nfs/dbraw/zinc/56/55/26/896565526.db2.gz DBPVEMREBKZGSG-GFCCVEGCSA-N 1 0 375.991 3.685 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645828520 914082314 /nfs/dbraw/zinc/08/23/14/914082314.db2.gz WESLXAMZFDSLSL-DLBZAZTESA-N 1 0 395.316 3.739 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)CNc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000819395391 896621713 /nfs/dbraw/zinc/62/17/13/896621713.db2.gz NYKKQDLRGRVERT-QFIPXVFZSA-N 1 0 379.504 3.985 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc([C@H]2CCCOC2)nc1C)C(C)C ZINC000566929093 896704616 /nfs/dbraw/zinc/70/46/16/896704616.db2.gz LWPOXAAKKCUUIL-ZWKOTPCHSA-N 1 0 391.581 3.774 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)s1 ZINC000819480532 896749194 /nfs/dbraw/zinc/74/91/94/896749194.db2.gz CBOVHIXGYSQDOJ-LBPRGKRZSA-N 1 0 385.986 3.605 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(CC#N)n2)C1 ZINC000882473592 896824709 /nfs/dbraw/zinc/82/47/09/896824709.db2.gz UDBFJTAOMSPXGC-UHFFFAOYSA-N 1 0 387.487 3.508 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289249893 914108984 /nfs/dbraw/zinc/10/89/84/914108984.db2.gz FBXKBEKJEMDACU-UHFFFAOYSA-N 1 0 380.540 3.557 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)sc2c1CCCC2 ZINC000567219468 896980421 /nfs/dbraw/zinc/98/04/21/896980421.db2.gz DJXDYOUWUXZAMI-APWZRJJASA-N 1 0 395.528 3.635 20 30 GHEDRO N#Cc1c(F)cccc1SCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000567487636 897196389 /nfs/dbraw/zinc/19/63/89/897196389.db2.gz WEQXPHASXABOJS-UHFFFAOYSA-N 1 0 383.492 3.702 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000130729346 897202285 /nfs/dbraw/zinc/20/22/85/897202285.db2.gz GZBAWJDZMKHKFU-MRXNPFEDSA-N 1 0 381.432 3.929 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000567552100 897243274 /nfs/dbraw/zinc/24/32/74/897243274.db2.gz LTZUGXNPDWFOHE-IBGZPJMESA-N 1 0 379.479 3.658 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000131010122 897293006 /nfs/dbraw/zinc/29/30/06/897293006.db2.gz PSYDCFDYHJBWQL-UHFFFAOYSA-N 1 0 392.894 3.558 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000131020944 897295170 /nfs/dbraw/zinc/29/51/70/897295170.db2.gz UCWBKZMGGIDAHL-AUSIDOKSSA-N 1 0 376.500 3.583 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000567763116 897385168 /nfs/dbraw/zinc/38/51/68/897385168.db2.gz NZWQSGOTBITDRL-AUSIDOKSSA-N 1 0 390.531 3.853 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c(-c2ccccc2)n1 ZINC000883255826 897408680 /nfs/dbraw/zinc/40/86/80/897408680.db2.gz GGHOWRZKBWEUQC-OAQYLSRUSA-N 1 0 394.519 3.529 20 30 GHEDRO C#C[C@H](NC(=O)N(C)C1CC[NH+](CCC)CC1)c1ccc(Br)cc1 ZINC000820616969 897414598 /nfs/dbraw/zinc/41/45/98/897414598.db2.gz NUWYQKDTOIWDJR-SFHVURJKSA-N 1 0 392.341 3.639 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C#N)ccc2F)CC1 ZINC000820647597 897470459 /nfs/dbraw/zinc/47/04/59/897470459.db2.gz SUAPAQQXVDFHII-UHFFFAOYSA-N 1 0 386.858 3.745 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](COc4ccccc4Cl)C3)cnc12 ZINC000567895756 897475988 /nfs/dbraw/zinc/47/59/88/897475988.db2.gz WMVRSRNRKNPOMX-OAHLLOKOSA-N 1 0 381.867 3.545 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1F ZINC000820738082 897526533 /nfs/dbraw/zinc/52/65/33/897526533.db2.gz RZZYIJVMINIFRM-VQIMIIECSA-N 1 0 377.891 3.813 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)CCCC[NH+]2CCCCC2)c1 ZINC000883412026 897569888 /nfs/dbraw/zinc/56/98/88/897569888.db2.gz ONHAJBNNHQHDTO-FQEVSTJZSA-N 1 0 386.540 3.775 20 30 GHEDRO CCOc1cccc(/C=N/[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1O ZINC000132442209 897790405 /nfs/dbraw/zinc/79/04/05/897790405.db2.gz AOAFCSBDXZDPRL-ZMPUUUETSA-N 1 0 384.476 3.502 20 30 GHEDRO CCOc1cccc(/C=N/[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1O ZINC000132442342 897790619 /nfs/dbraw/zinc/79/06/19/897790619.db2.gz AOAFCSBDXZDPRL-XNQWGTPPSA-N 1 0 384.476 3.502 20 30 GHEDRO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741410 897806827 /nfs/dbraw/zinc/80/68/27/897806827.db2.gz RPDZWQBYGMUHET-IRXDYDNUSA-N 1 0 395.503 3.836 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C3(Cc4ccccc4Br)CC3)n2c1 ZINC000568465783 897861574 /nfs/dbraw/zinc/86/15/74/897861574.db2.gz UWFUWNWKBBEVKV-UHFFFAOYSA-N 1 0 381.277 3.833 20 30 GHEDRO C=C(C)CN1CCC([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000568618397 897988341 /nfs/dbraw/zinc/98/83/41/897988341.db2.gz MNEYZOGEWPRJCZ-FQEVSTJZSA-N 1 0 377.532 3.786 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000104326985 898139176 /nfs/dbraw/zinc/13/91/76/898139176.db2.gz LDWLIMBBQKIIKW-UHFFFAOYSA-N 1 0 384.524 3.513 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccccc2)Cc2cccnc2)CC1 ZINC000106340708 898266168 /nfs/dbraw/zinc/26/61/68/898266168.db2.gz OIZKRJUYFRXESO-UHFFFAOYSA-N 1 0 392.547 3.876 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000569096655 898338641 /nfs/dbraw/zinc/33/86/41/898338641.db2.gz GYYGIHXHFWWUJL-QZNHQXDQSA-N 1 0 397.515 3.673 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000108528589 898387390 /nfs/dbraw/zinc/38/73/90/898387390.db2.gz XLZOMDLZJOJZBA-MRXNPFEDSA-N 1 0 390.553 3.561 20 30 GHEDRO COc1ccccc1Oc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1F ZINC000884104334 898884885 /nfs/dbraw/zinc/88/48/85/898884885.db2.gz JSLFQXPNFWVRKE-HVPFBLEYSA-N 1 0 395.434 3.704 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(COCCc3ccccc3)c1)C2 ZINC000884106820 898896210 /nfs/dbraw/zinc/89/62/10/898896210.db2.gz CBWCUSRRKSHTTQ-DQBMGFJSSA-N 1 0 389.499 3.524 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)c1cccc(OC)c1 ZINC000043755389 898902673 /nfs/dbraw/zinc/90/26/73/898902673.db2.gz OXKVZGMERSMJSW-UTKZUKDTSA-N 1 0 395.503 3.533 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000823284694 898954895 /nfs/dbraw/zinc/95/48/95/898954895.db2.gz SNHTZXXGVRDTJL-SFHVURJKSA-N 1 0 379.504 3.651 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)C2 ZINC000884122563 898973378 /nfs/dbraw/zinc/97/33/78/898973378.db2.gz UXNJHQQXSMLIAO-NKCCXGTCSA-N 1 0 377.410 3.508 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)ccc1C#N ZINC000569861223 898990606 /nfs/dbraw/zinc/99/06/06/898990606.db2.gz PSZAITVPNJVQDL-IRLDBZIGSA-N 1 0 398.528 3.750 20 30 GHEDRO Cc1ccc(COc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2)cc1 ZINC000884135845 899033652 /nfs/dbraw/zinc/03/36/52/899033652.db2.gz VLXGDRAHXVQEED-FVRICEFQSA-N 1 0 375.472 3.652 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331646619 899052607 /nfs/dbraw/zinc/05/26/07/899052607.db2.gz VXKCEHAZVUNSHL-BJKUESEOSA-N 1 0 383.536 3.583 20 30 GHEDRO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884163676 899142954 /nfs/dbraw/zinc/14/29/54/899142954.db2.gz NIPOKQZWBWBTBO-SHYRYGCCSA-N 1 0 380.319 3.570 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289737786 914322031 /nfs/dbraw/zinc/32/20/31/914322031.db2.gz IQAHHFFPBQIEAP-INIZCTEOSA-N 1 0 379.464 3.551 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@]3(C)C(N)=O)sc2C1 ZINC000331909767 899260610 /nfs/dbraw/zinc/26/06/10/899260610.db2.gz IRKJZJRYGTUVCC-ZUOKHONESA-N 1 0 388.537 3.853 20 30 GHEDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1O ZINC000331915977 899262986 /nfs/dbraw/zinc/26/29/86/899262986.db2.gz JGDJYQZJQXFJBP-IRXDYDNUSA-N 1 0 389.565 3.556 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000570369220 899285655 /nfs/dbraw/zinc/28/56/55/899285655.db2.gz PUIKKFNTHQYSTM-UHFFFAOYSA-N 1 0 390.535 3.908 20 30 GHEDRO COCC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000331981087 899315162 /nfs/dbraw/zinc/31/51/62/899315162.db2.gz SPZHYYBVQBXHCS-UHFFFAOYSA-N 1 0 375.538 3.576 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(Oc3ccc(Cl)cc3)nc1)C2 ZINC000884201894 899336205 /nfs/dbraw/zinc/33/62/05/899336205.db2.gz KMCRDIVGVFYXEN-DMAKZNTKSA-N 1 0 382.851 3.605 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000332157659 899442042 /nfs/dbraw/zinc/44/20/42/899442042.db2.gz OFNAYGXJSNVLJI-HNNXBMFYSA-N 1 0 384.446 3.719 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c1C ZINC001136920921 899758751 /nfs/dbraw/zinc/75/87/51/899758751.db2.gz JQBSWCOZXYKIPQ-IBGZPJMESA-N 1 0 395.503 3.652 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(F)cc1Nc1ccccc1F)C2 ZINC000884318695 899781049 /nfs/dbraw/zinc/78/10/49/899781049.db2.gz CQLMUWSYCIQUTI-YZGUTLMUSA-N 1 0 382.414 3.786 20 30 GHEDRO O=C(c1cc2ccccc2o1)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134216388 899786178 /nfs/dbraw/zinc/78/61/78/899786178.db2.gz RTFVCTOHVXYKKV-KRWDZBQOSA-O 1 0 395.504 3.818 20 30 GHEDRO CC(C)c1c(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cnn1-c1ccc(Cl)cc1 ZINC000884327618 899809196 /nfs/dbraw/zinc/80/91/96/899809196.db2.gz YLEXGYOFGPWBDD-FAGJFJLWSA-N 1 0 397.910 3.727 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000571279746 899812909 /nfs/dbraw/zinc/81/29/09/899812909.db2.gz NGIJWQLPTDKJGD-UHFFFAOYSA-N 1 0 390.531 3.806 20 30 GHEDRO COc1cc(Oc2ccccc2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884329478 899814592 /nfs/dbraw/zinc/81/45/92/899814592.db2.gz NJHOGBPMWDNIEW-JXORXQGFSA-N 1 0 377.444 3.565 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1(c3cccc(Cl)c3F)CCCC1)C2 ZINC000884334151 899829236 /nfs/dbraw/zinc/82/92/36/899829236.db2.gz IVAZELONTQCWNI-FAGJFJLWSA-N 1 0 389.902 3.546 20 30 GHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000572050611 900045356 /nfs/dbraw/zinc/04/53/56/900045356.db2.gz MIYZPWHECTZHLE-NJNPRVFISA-N 1 0 378.520 3.747 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc(OC)c1O ZINC000825344786 900109027 /nfs/dbraw/zinc/10/90/27/900109027.db2.gz XZXGUPNKDRJXBW-QGZVFWFLSA-N 1 0 392.293 3.715 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1 ZINC000135309632 900219796 /nfs/dbraw/zinc/21/97/96/900219796.db2.gz GUSMWHPPWYJXBX-IBGZPJMESA-N 1 0 384.455 3.933 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)cc1OCC#N ZINC000135305185 900219881 /nfs/dbraw/zinc/21/98/81/900219881.db2.gz YJXAKDFBDBPTDR-QGZVFWFLSA-N 1 0 396.466 3.856 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000157091739 900273296 /nfs/dbraw/zinc/27/32/96/900273296.db2.gz WRTOIANOMXCKFE-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(c3ccccc3)CCCCC2)cc1 ZINC000573269235 900435541 /nfs/dbraw/zinc/43/55/41/900435541.db2.gz XWEHAACTEFYRRZ-UHFFFAOYSA-N 1 0 382.529 3.824 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccc(CC)cc2)cc1 ZINC000136510843 900692847 /nfs/dbraw/zinc/69/28/47/900692847.db2.gz HXLFYHAKJGPGKS-LJQANCHMSA-O 1 0 397.564 3.664 20 30 GHEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(F)c1OC ZINC000886082799 900710660 /nfs/dbraw/zinc/71/06/60/900710660.db2.gz AVIGFNSVEYLZBE-UHFFFAOYSA-N 1 0 385.439 3.589 20 30 GHEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000844354232 900752887 /nfs/dbraw/zinc/75/28/87/900752887.db2.gz IMFVXGSTQJNUCX-QGZVFWFLSA-N 1 0 387.524 3.967 20 30 GHEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000574126837 900786790 /nfs/dbraw/zinc/78/67/90/900786790.db2.gz GSCUJUUBNIHJJO-IIDMSEBBSA-N 1 0 381.442 3.651 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c(C(F)(F)F)c1 ZINC000574489073 900903947 /nfs/dbraw/zinc/90/39/47/900903947.db2.gz AUJOFGYQPKFINP-CQSZACIVSA-N 1 0 380.801 3.994 20 30 GHEDRO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)Cc1cncc(C#N)c1 ZINC001144084694 901052718 /nfs/dbraw/zinc/05/27/18/901052718.db2.gz KZPQGJBEGBOVEH-CVAIRZPRSA-N 1 0 375.513 3.547 20 30 GHEDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)n1-c1ccc(C#N)cc1 ZINC001144156309 901164967 /nfs/dbraw/zinc/16/49/67/901164967.db2.gz QYOQSAXDODKLEA-FGZHOGPDSA-N 1 0 376.504 3.713 20 30 GHEDRO COCCO[C@@H]1CCC2(CC[NH+](Cc3ccc(C#N)cn3)CC2)c2ccccc21 ZINC001144159162 901170683 /nfs/dbraw/zinc/17/06/83/901170683.db2.gz ZXUWNXRXLPWXDF-HSZRJFAPSA-N 1 0 391.515 3.985 20 30 GHEDRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3ccc(C#N)cn3)CC2)CC1=O ZINC001144160723 901173673 /nfs/dbraw/zinc/17/36/73/901173673.db2.gz SSQKEYJWXFYTPB-UHFFFAOYSA-N 1 0 388.515 3.880 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)nc1 ZINC001144160622 901174086 /nfs/dbraw/zinc/17/40/86/901174086.db2.gz ODNWODIPQKXKTG-UHFFFAOYSA-N 1 0 386.499 3.634 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000575369474 901218852 /nfs/dbraw/zinc/21/88/52/901218852.db2.gz RZBCPEHROBUYPU-UHFFFAOYSA-N 1 0 398.514 3.715 20 30 GHEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)ccc1S(C)(=O)=O ZINC000886688676 901227930 /nfs/dbraw/zinc/22/79/30/901227930.db2.gz XSEIYESFFFRZSW-ZDUSSCGKSA-N 1 0 390.530 3.543 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc([C@@H]4CCCC(=O)N4)c3)CC2)cc1 ZINC000886806791 901282915 /nfs/dbraw/zinc/28/29/15/901282915.db2.gz YWVXUSSBPFFIPO-QHCPKHFHSA-N 1 0 388.515 3.976 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000575875341 901415971 /nfs/dbraw/zinc/41/59/71/901415971.db2.gz YZOKPOMEOKRQJV-DYESRHJHSA-N 1 0 387.549 3.549 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000575883009 901425421 /nfs/dbraw/zinc/42/54/21/901425421.db2.gz FWQCGTDGDSYGJW-FZKQIMNGSA-N 1 0 399.292 3.562 20 30 GHEDRO CC(C)(CCC#N)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000091844066 901460465 /nfs/dbraw/zinc/46/04/65/901460465.db2.gz FCNMICBNHROKPQ-UHFFFAOYSA-N 1 0 393.329 3.825 20 30 GHEDRO C/C(=C/C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(F)c1 ZINC000845003974 901635269 /nfs/dbraw/zinc/63/52/69/901635269.db2.gz VSUGHVSIHQRRPW-ATVHPVEESA-N 1 0 377.463 3.881 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC001186469925 914559026 /nfs/dbraw/zinc/55/90/26/914559026.db2.gz KIJKHAGDYYYFDI-HSZRJFAPSA-N 1 0 388.515 3.899 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000123018755 901885441 /nfs/dbraw/zinc/88/54/41/901885441.db2.gz RQUPFTIDUACQSN-LAUBAEHRSA-N 1 0 377.488 3.692 20 30 GHEDRO CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125825336 902257561 /nfs/dbraw/zinc/25/75/61/902257561.db2.gz MDCWWWLJFLWUOY-QHCPKHFHSA-N 1 0 391.515 3.608 20 30 GHEDRO COC(=O)c1ccccc1CN1CCC([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171195356 902286142 /nfs/dbraw/zinc/28/61/42/902286142.db2.gz RVZYKQRMXKUJRK-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000576897854 902342022 /nfs/dbraw/zinc/34/20/22/902342022.db2.gz XMMLLCPRAXTAPG-KNKQGSTJSA-N 1 0 392.551 3.696 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccccc1Cn1ccnc1 ZINC000263646297 902348955 /nfs/dbraw/zinc/34/89/55/902348955.db2.gz BREMOAVXHSQJPN-UHFFFAOYSA-N 1 0 376.464 3.681 20 30 GHEDRO CCCCn1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1[C@@H](CC)N(C)C ZINC000126717304 902356948 /nfs/dbraw/zinc/35/69/48/902356948.db2.gz WDZJWLARLUBCEP-MSOLQXFVSA-N 1 0 387.553 3.788 20 30 GHEDRO C#Cc1ccc(CN2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)cc1 ZINC001144568773 902398985 /nfs/dbraw/zinc/39/89/85/902398985.db2.gz DXSFXCDWJDBIAK-JOCHJYFZSA-N 1 0 375.516 3.800 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)cc1 ZINC001144568873 902399831 /nfs/dbraw/zinc/39/98/31/902399831.db2.gz GQDBEVCWGSMHRA-ILBGXUMGSA-N 1 0 388.511 3.612 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001144572406 902405517 /nfs/dbraw/zinc/40/55/17/902405517.db2.gz YDLBQTVWUQKQQF-QFIPXVFZSA-N 1 0 381.470 3.796 20 30 GHEDRO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCC(C)(C)C#N ZINC000576985121 902411135 /nfs/dbraw/zinc/41/11/35/902411135.db2.gz PDPJDGXFXLGKSJ-HXUWFJFHSA-N 1 0 391.581 3.633 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)NC3CC([NH+]4CCCCC4)C3)c2)c1 ZINC000577002773 902422531 /nfs/dbraw/zinc/42/25/31/902422531.db2.gz GFLUNTFRHNEJBY-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO COc1sc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1Br ZINC000846005838 902586207 /nfs/dbraw/zinc/58/62/07/902586207.db2.gz CYMINXZVUGGIPB-OAHLLOKOSA-N 1 0 381.295 3.556 20 30 GHEDRO CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171208816 902634003 /nfs/dbraw/zinc/63/40/03/902634003.db2.gz FGDOQUMPMKDAGE-KRWDZBQOSA-N 1 0 378.520 3.691 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1CCNC(=O)OC(C)(C)C ZINC000846049643 902635989 /nfs/dbraw/zinc/63/59/89/902635989.db2.gz OULYSVSGGDORQK-APWZRJJASA-N 1 0 397.523 3.721 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000846113677 902691963 /nfs/dbraw/zinc/69/19/63/902691963.db2.gz NNWQIRNGCFTZBO-LZQZEXGQSA-N 1 0 389.496 3.578 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/C(=O)c1ccccc1 ZINC001144714941 902695555 /nfs/dbraw/zinc/69/55/55/902695555.db2.gz VDGISFOTGJXONP-TWLJRWAQSA-N 1 0 376.500 3.842 20 30 GHEDRO O=C(/C=C/C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001144709004 902714934 /nfs/dbraw/zinc/71/49/34/902714934.db2.gz UCMQWIVBFJLOTI-ZQHIUPPVSA-N 1 0 388.511 3.796 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001171215556 902748153 /nfs/dbraw/zinc/74/81/53/902748153.db2.gz AOCKJNXJJOGOGV-ALOBAPJISA-N 1 0 397.544 3.642 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccc5scnc5c4)C3)CC2=O)c1 ZINC001144736862 902777486 /nfs/dbraw/zinc/77/74/86/902777486.db2.gz DYMSHMNDPJVFCG-QFIPXVFZSA-N 1 0 388.496 3.797 20 30 GHEDRO COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)c1 ZINC000264024804 902783070 /nfs/dbraw/zinc/78/30/70/902783070.db2.gz XVCAVGJXFUFVIJ-IBGZPJMESA-N 1 0 395.503 3.755 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1 ZINC000129352171 902796483 /nfs/dbraw/zinc/79/64/83/902796483.db2.gz DAXVHGPPZUZOLI-UHFFFAOYSA-N 1 0 381.476 3.589 20 30 GHEDRO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)[C@H](C)Cc2cccc(C#N)c2)cn1 ZINC001171220555 902825932 /nfs/dbraw/zinc/82/59/32/902825932.db2.gz CCUWXZYEIBGRIW-QGZVFWFLSA-N 1 0 390.535 3.758 20 30 GHEDRO CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1c(Cl)cccc1Cl ZINC000600721831 902844496 /nfs/dbraw/zinc/84/44/96/902844496.db2.gz MOAWGXGNFHUOTG-AWEZNQCLSA-N 1 0 385.335 3.932 20 30 GHEDRO CC[C@H](CC#N)[NH2+]CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000577528072 902849248 /nfs/dbraw/zinc/84/92/48/902849248.db2.gz SWWZOCUJCILYCP-CTNGQTDRSA-N 1 0 385.533 3.687 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccccc2C#N)CCCC1)c1ccccc1 ZINC001186590345 914676073 /nfs/dbraw/zinc/67/60/73/914676073.db2.gz KIHGPXYQXJQWPO-KRWDZBQOSA-N 1 0 383.517 3.500 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000846820055 903241618 /nfs/dbraw/zinc/24/16/18/903241618.db2.gz AHBTXTDQUIKTSM-SFHVURJKSA-N 1 0 376.504 3.517 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)cc1 ZINC000601128685 903366759 /nfs/dbraw/zinc/36/67/59/903366759.db2.gz VHYLUGBERQOJFD-KRWDZBQOSA-N 1 0 386.540 3.625 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c(C(F)(F)F)c1 ZINC000601152958 903398428 /nfs/dbraw/zinc/39/84/28/903398428.db2.gz RSNIZNLQHPMIKH-UHFFFAOYSA-N 1 0 392.450 3.815 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C[NH+](C)C ZINC000887675607 903425769 /nfs/dbraw/zinc/42/57/69/903425769.db2.gz BQCGONHPRBJJGT-QGZVFWFLSA-N 1 0 380.492 3.651 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3cccc(C#N)c3)cc[nH+]2)CC1 ZINC001212836130 903472863 /nfs/dbraw/zinc/47/28/63/903472863.db2.gz SJBQUBAJFRLYBB-UHFFFAOYSA-N 1 0 379.464 3.754 20 30 GHEDRO N#CC1(Nc2nc(Cl)ccc2C2OCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC001171275556 903476086 /nfs/dbraw/zinc/47/60/86/903476086.db2.gz XQBXGGUIWWHYFZ-UHFFFAOYSA-N 1 0 398.894 3.751 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001146420586 903534863 /nfs/dbraw/zinc/53/48/63/903534863.db2.gz FXBGCUUZXXSBHY-CEXWTWQISA-N 1 0 393.572 3.569 20 30 GHEDRO CN(C(=O)Nc1cccc(OCC#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000265056728 903595376 /nfs/dbraw/zinc/59/53/76/903595376.db2.gz VRCACFRVJSKXKY-UHFFFAOYSA-N 1 0 378.476 3.717 20 30 GHEDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCCO1 ZINC000578210566 903615406 /nfs/dbraw/zinc/61/54/06/903615406.db2.gz OJKWNKKQAQNUIV-CRAIPNDOSA-N 1 0 389.565 3.820 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001146895373 903631922 /nfs/dbraw/zinc/63/19/22/903631922.db2.gz RHSKNPDNTTWZIN-QFIPXVFZSA-N 1 0 378.516 3.822 20 30 GHEDRO N#Cc1ccc([C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CCO2)cc1 ZINC000887736646 903694968 /nfs/dbraw/zinc/69/49/68/903694968.db2.gz GCIUZEUKRYSOPL-QHCPKHFHSA-N 1 0 389.499 3.758 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000772983761 903837690 /nfs/dbraw/zinc/83/76/90/903837690.db2.gz LQVAOYOZMCPSJT-BEFAXECRSA-N 1 0 387.505 3.590 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000772983122 903853365 /nfs/dbraw/zinc/85/33/65/903853365.db2.gz JEJNTKFXTRGVPU-KXBFYZLASA-N 1 0 387.505 3.590 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001147805275 903871898 /nfs/dbraw/zinc/87/18/98/903871898.db2.gz SYEUGTFZLQNLLR-UHFFFAOYSA-N 1 0 376.504 3.667 20 30 GHEDRO CCn1c(CC2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000578706355 904067067 /nfs/dbraw/zinc/06/70/67/904067067.db2.gz OSCABCJNXCDOOJ-UHFFFAOYSA-N 1 0 392.551 3.615 20 30 GHEDRO COCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001148456150 904075662 /nfs/dbraw/zinc/07/56/62/904075662.db2.gz CQJJEEJVMOIXTB-HZCBDIJESA-N 1 0 377.488 3.617 20 30 GHEDRO Cc1cccc(N(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001148614480 904139615 /nfs/dbraw/zinc/13/96/15/904139615.db2.gz SQBCZDGRBKKYRK-XANCMCCPSA-N 1 0 389.499 3.790 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000578945672 904244655 /nfs/dbraw/zinc/24/46/55/904244655.db2.gz SOUISXUNBYCAJT-LJQANCHMSA-N 1 0 388.519 3.742 20 30 GHEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000578975393 904270377 /nfs/dbraw/zinc/27/03/77/904270377.db2.gz STHZVYSMWWYLQU-MRXNPFEDSA-N 1 0 393.491 3.661 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171464722 904724096 /nfs/dbraw/zinc/72/40/96/904724096.db2.gz BZKVVMPRNFHCIZ-NRFANRHFSA-N 1 0 381.470 3.948 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CCO2 ZINC001171490005 904733887 /nfs/dbraw/zinc/73/38/87/904733887.db2.gz VJQDFXWUBPPSBF-WOIUINJBSA-N 1 0 377.475 3.896 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171467589 904743126 /nfs/dbraw/zinc/74/31/26/904743126.db2.gz YKBWEEHGTPQNDO-LJQANCHMSA-N 1 0 395.453 3.588 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)CC1 ZINC001171475640 904750343 /nfs/dbraw/zinc/75/03/43/904750343.db2.gz FLUBOWHWCUAUDO-QGZVFWFLSA-N 1 0 376.447 3.543 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC[C@@H]1F ZINC001171532552 904755965 /nfs/dbraw/zinc/75/59/65/904755965.db2.gz CVUHJRBBMFVGJE-YNZJMPHRSA-N 1 0 385.323 3.689 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171536713 904763521 /nfs/dbraw/zinc/76/35/21/904763521.db2.gz VFHGAPLYTNSQTQ-AOMKIAJQSA-N 1 0 392.465 3.994 20 30 GHEDRO COC(=O)C1(Nc2cccc3[nH]c(C#N)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171507580 904783943 /nfs/dbraw/zinc/78/39/43/904783943.db2.gz ZFCUQLVAOAUGPX-UHFFFAOYSA-N 1 0 388.471 3.659 20 30 GHEDRO Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001171570687 904837479 /nfs/dbraw/zinc/83/74/79/904837479.db2.gz HJTMDIZQYQWSOB-OFVILXPXSA-N 1 0 385.511 3.853 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cc1OC ZINC001171609292 904870571 /nfs/dbraw/zinc/87/05/71/904870571.db2.gz QWKINMFOGJGFPY-HXUWFJFHSA-N 1 0 386.536 3.987 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)C2)C1 ZINC001171744764 904971523 /nfs/dbraw/zinc/97/15/23/904971523.db2.gz HZZOHUUPENDDMS-KIFXHHALSA-N 1 0 397.563 3.760 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1Cc1ccccc1 ZINC001171734653 905017042 /nfs/dbraw/zinc/01/70/42/905017042.db2.gz PNAJNWMDPBCAHZ-NLFFAJNJSA-N 1 0 388.559 3.775 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccsc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC001186857933 914866906 /nfs/dbraw/zinc/86/69/06/914866906.db2.gz IMXIKSUTMNAYGV-NVXWUHKLSA-N 1 0 391.562 3.664 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2ccccc2C#N)CC12CCC2 ZINC001171840071 905090323 /nfs/dbraw/zinc/09/03/23/905090323.db2.gz XIXFKDRICADVHG-GOSISDBHSA-N 1 0 385.508 3.849 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC001171847285 905096357 /nfs/dbraw/zinc/09/63/57/905096357.db2.gz LAZXLSAATLYYTK-MSOLQXFVSA-N 1 0 395.503 3.825 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090930 905311334 /nfs/dbraw/zinc/31/13/34/905311334.db2.gz XXBGVNJVZAFPAC-BXXSPATCSA-N 1 0 397.563 3.949 20 30 GHEDRO COC(=O)C1(c2ccc(Br)cc2)CCC([N@H+](C)CCC#N)CC1 ZINC001172146731 905389815 /nfs/dbraw/zinc/38/98/15/905389815.db2.gz MBYDXVYTDVECRC-UHFFFAOYSA-N 1 0 379.298 3.648 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])NC3C[C@H]4CC[C@@H](C3)O4)c3ccccc32)cc1 ZINC001172223327 905424961 /nfs/dbraw/zinc/42/49/61/905424961.db2.gz RVJXWOSAVUHQPJ-JLYLLQBASA-N 1 0 390.487 3.509 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@@H+]([C@@H](C)Cc4ccc(C#N)cc4)C3)CC2=O)cc1 ZINC001172304238 905457619 /nfs/dbraw/zinc/45/76/19/905457619.db2.gz LKAKOTSXGPYORF-UUOWRZLLSA-N 1 0 389.499 3.627 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001172305794 905460927 /nfs/dbraw/zinc/46/09/27/905460927.db2.gz GDBDDTIKOCILRQ-CJAUYULYSA-N 1 0 385.511 3.890 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC001172305935 905461611 /nfs/dbraw/zinc/46/16/11/905461611.db2.gz HNOSIHOOSCTDIY-WMZHIEFXSA-N 1 0 387.527 3.970 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]12 ZINC001172307500 905463156 /nfs/dbraw/zinc/46/31/56/905463156.db2.gz HKWCHRSUGSLCLU-WVQWTBLQSA-N 1 0 387.527 3.754 20 30 GHEDRO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312976 905469500 /nfs/dbraw/zinc/46/95/00/905469500.db2.gz NBWPXTFPDAHRRM-RDPSFJRHSA-N 1 0 377.532 3.712 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001172313988 905471255 /nfs/dbraw/zinc/47/12/55/905471255.db2.gz HDYBCHWMUFKORG-WZONZLPQSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001172290321 905480345 /nfs/dbraw/zinc/48/03/45/905480345.db2.gz ADMOZSSBHMQRJX-QAPCUYQASA-N 1 0 393.478 3.971 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1I ZINC001172297315 905484322 /nfs/dbraw/zinc/48/43/22/905484322.db2.gz OEMGRZUJDPHLIR-ZDUSSCGKSA-N 1 0 376.241 3.884 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001172350219 905520048 /nfs/dbraw/zinc/52/00/48/905520048.db2.gz MHEBFDXJXIAIBJ-GOSISDBHSA-N 1 0 381.586 3.545 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001172355892 905526658 /nfs/dbraw/zinc/52/66/58/905526658.db2.gz FEWOUSXBEIMUQH-KRWDZBQOSA-N 1 0 379.545 3.777 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001172356844 905526803 /nfs/dbraw/zinc/52/68/03/905526803.db2.gz YTMVPIYCXCXNAI-DOIPELPJSA-N 1 0 390.572 3.521 20 30 GHEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001172495151 905598341 /nfs/dbraw/zinc/59/83/41/905598341.db2.gz NELOQZMCCPIPSF-FOIQADDNSA-N 1 0 388.899 3.972 20 30 GHEDRO CCCCCCCC[C@H](CC)[NH2+]C[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001172506674 905602055 /nfs/dbraw/zinc/60/20/55/905602055.db2.gz ZCKLMMVOEALQMN-VQTJNVASSA-N 1 0 392.588 3.704 20 30 GHEDRO C#CCCC1(CC[NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N=N1 ZINC001172536939 905640895 /nfs/dbraw/zinc/64/08/95/905640895.db2.gz YQIMPLIOJXJPFF-ACRUOGEOSA-N 1 0 378.520 3.873 20 30 GHEDRO C=C[C@@H](CO)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2C)C1 ZINC001172606134 905665283 /nfs/dbraw/zinc/66/52/83/905665283.db2.gz QCHKQTUJIHLPNL-JENIJYKNSA-N 1 0 378.488 3.711 20 30 GHEDRO C#C[C@@H](C)[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172685230 905736375 /nfs/dbraw/zinc/73/63/75/905736375.db2.gz VBXONUYHVAMKJV-QUCCMNQESA-N 1 0 382.529 3.507 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001172797981 905871162 /nfs/dbraw/zinc/87/11/62/905871162.db2.gz KGFKAFJRAHAVNT-RRMPHLOHSA-N 1 0 395.503 3.816 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172909154 905928712 /nfs/dbraw/zinc/92/87/12/905928712.db2.gz PGLUHPNHHVJTRV-LJQANCHMSA-N 1 0 399.491 3.563 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(c3ccccc3)CCOCC2)C[C@H]1C#N ZINC001172970029 906030179 /nfs/dbraw/zinc/03/01/79/906030179.db2.gz CGODUUTZPYXWMG-MOPGFXCFSA-N 1 0 385.508 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)C[C@H]1C#N ZINC001172968891 906030920 /nfs/dbraw/zinc/03/09/20/906030920.db2.gz QLLSGJSSXXHGTD-STQMWFEESA-N 1 0 385.842 3.999 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3ccc(F)cc3c3c2C[NH2+]CC3)C[C@H]1C#N ZINC001172990618 906034921 /nfs/dbraw/zinc/03/49/21/906034921.db2.gz PRPLAFWIXUZQKJ-CVEARBPZSA-N 1 0 398.482 3.890 20 30 GHEDRO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972182 906035365 /nfs/dbraw/zinc/03/53/65/906035365.db2.gz XBIXWJIKHIBUSK-CVEARBPZSA-N 1 0 379.888 3.730 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCSCc2ccccc2)C[C@H]1C#N ZINC001172977057 906041852 /nfs/dbraw/zinc/04/18/52/906041852.db2.gz YSQYTJBPJNUBRX-MSOLQXFVSA-N 1 0 375.538 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C[C@H]1C#N ZINC001172976550 906043071 /nfs/dbraw/zinc/04/30/71/906043071.db2.gz QQFXNJFZOPLRDA-QUCCMNQESA-N 1 0 384.524 3.537 20 30 GHEDRO CC[N@H+](CCc1ccc(OC)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990633 906043895 /nfs/dbraw/zinc/04/38/95/906043895.db2.gz PRRYHGZTLJCLSN-OALUTQOASA-N 1 0 387.524 3.851 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177272653 906084593 /nfs/dbraw/zinc/08/45/93/906084593.db2.gz MUQIPSQGDNIOFI-RTBURBONSA-N 1 0 393.497 3.547 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@H]3CCc4ncsc4C3)cc(C#N)c21 ZINC001173141431 906227205 /nfs/dbraw/zinc/22/72/05/906227205.db2.gz PWBPBWBGBQYWDC-ACJLOTCBSA-N 1 0 378.501 3.708 20 30 GHEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001173222049 906299356 /nfs/dbraw/zinc/29/93/56/906299356.db2.gz SJYVWOMQBPRRGI-KRWDZBQOSA-N 1 0 378.476 3.652 20 30 GHEDRO CCCCCCCCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000779341481 906338129 /nfs/dbraw/zinc/33/81/29/906338129.db2.gz IFDQOYVPAVGVGB-UHFFFAOYSA-N 1 0 384.590 3.520 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3ccc(OC(F)(F)F)cc3C#N)c2)CC1 ZINC001212717276 906341026 /nfs/dbraw/zinc/34/10/26/906341026.db2.gz WFCUHXLXMQQHPY-UHFFFAOYSA-N 1 0 376.382 3.952 20 30 GHEDRO CCCCCCCC[C@H](CCC)[N@@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001173310853 906364817 /nfs/dbraw/zinc/36/48/17/906364817.db2.gz ZFSJEFFDSMQPOG-VXKWHMMOSA-N 1 0 382.589 3.855 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)CC1 ZINC001173320992 906370494 /nfs/dbraw/zinc/37/04/94/906370494.db2.gz HDEACNJMKCJIDW-LZBANZJXSA-N 1 0 382.548 3.838 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001173324766 906372062 /nfs/dbraw/zinc/37/20/62/906372062.db2.gz SZQIARTXCZNLJI-BBHUYCHWSA-N 1 0 386.511 3.764 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@H](Oc3ccc(C(=O)NCCC)cc3)C2)CC1 ZINC001173323275 906372692 /nfs/dbraw/zinc/37/26/92/906372692.db2.gz BQYVDIMHTXAZQO-AOMIVXANSA-N 1 0 386.536 3.793 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)CC1 ZINC001173335336 906377530 /nfs/dbraw/zinc/37/75/30/906377530.db2.gz IEZYYHJYFDWWFW-NFKMYMFOSA-N 1 0 375.538 3.612 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@@H+](C3CCC(CC#N)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001173335208 906378192 /nfs/dbraw/zinc/37/81/92/906378192.db2.gz CRYBPTPLLCJYCG-QKMVCDTBSA-N 1 0 377.532 3.963 20 30 GHEDRO N#CCC1CCC([N@H+]2CCc3nc(C(=O)N4CCCCC4)sc3CC2)CC1 ZINC001173336107 906380242 /nfs/dbraw/zinc/38/02/42/906380242.db2.gz NPQVIJQVSHCVEX-UHFFFAOYSA-N 1 0 386.565 3.642 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCN([C@@H]2CC[N@@H+](C3CCC(CC#N)CC3)C2)CC1 ZINC001173339099 906381530 /nfs/dbraw/zinc/38/15/30/906381530.db2.gz CPSZWZGKSXFWOV-LYBXBRPPSA-N 1 0 390.572 3.522 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001173319957 906390924 /nfs/dbraw/zinc/39/09/24/906390924.db2.gz BRUGZBSHSYMTHD-POOLCLQXSA-N 1 0 379.504 3.501 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C#N)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC001173379747 906410695 /nfs/dbraw/zinc/41/06/95/906410695.db2.gz QJTAIYLBDCBPMR-KZNAEPCWSA-N 1 0 392.540 3.690 20 30 GHEDRO Cc1ccccc1OCCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421781 906456332 /nfs/dbraw/zinc/45/63/32/906456332.db2.gz DEBYNILCTBOVJF-UHFFFAOYSA-N 1 0 377.488 3.530 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)c3ccc(C#N)cc3)CC1)CCO2 ZINC001173425041 906460009 /nfs/dbraw/zinc/46/00/09/906460009.db2.gz NJEYGIGCTOBZDI-NRFANRHFSA-N 1 0 375.472 3.585 20 30 GHEDRO COc1ccccc1C(C)(C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173427706 906463137 /nfs/dbraw/zinc/46/31/37/906463137.db2.gz GYXNGIFVLZBNJP-UHFFFAOYSA-N 1 0 377.488 3.696 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH+]3CCC(c4ccc(C#N)cc4)CC3)CC2)cc1 ZINC001173434670 906470508 /nfs/dbraw/zinc/47/05/08/906470508.db2.gz PXLSLBOPOOGEOM-UHFFFAOYSA-N 1 0 398.510 3.914 20 30 GHEDRO C=CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1)c1ccccc1 ZINC001173505575 906509991 /nfs/dbraw/zinc/50/99/91/906509991.db2.gz FPJKCXNXJWGXSZ-YPAWHYETSA-N 1 0 392.499 3.740 20 30 GHEDRO CC1(C#N)CCC([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CC1 ZINC001173591820 906547313 /nfs/dbraw/zinc/54/73/13/906547313.db2.gz ZNHPMIZJVYOHTK-UHFFFAOYSA-N 1 0 394.968 3.892 20 30 GHEDRO COC(=O)c1ccc(N2CC[NH+](C3CCC(C)(C#N)CC3)CC2)c(Cl)c1 ZINC001173601518 906552348 /nfs/dbraw/zinc/55/23/48/906552348.db2.gz UWGLKRCPHQJJKY-UHFFFAOYSA-N 1 0 375.900 3.721 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)ccc1OC ZINC000191032307 906552695 /nfs/dbraw/zinc/55/26/95/906552695.db2.gz WPOSKIOYCKPAAL-IBGZPJMESA-N 1 0 382.508 3.906 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)CC2 ZINC001173605397 906558436 /nfs/dbraw/zinc/55/84/36/906558436.db2.gz DUORKTYLYXRAFT-DJSMFCCRSA-N 1 0 395.547 3.624 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCC3(C[C@H]3C(=O)OCC)CC1)C2 ZINC001173611811 906565756 /nfs/dbraw/zinc/56/57/56/906565756.db2.gz LSYPNNGHHXCDAW-OEGBSJBASA-N 1 0 388.552 3.532 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)Cc1ccc(C(=O)OC)cc1)[C@@H]2CC ZINC001173723340 906672469 /nfs/dbraw/zinc/67/24/69/906672469.db2.gz QICGKEHLDXGPGO-VNZMSGEBSA-N 1 0 398.547 3.826 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2ccccc2CC#N)c2ccccc2)CC1 ZINC000777366696 906888859 /nfs/dbraw/zinc/88/88/59/906888859.db2.gz GGEGYSPVFZYCSC-QHCPKHFHSA-N 1 0 375.516 3.885 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3Br)CC2)C1=O ZINC001276008437 921275950 /nfs/dbraw/zinc/27/59/50/921275950.db2.gz UPJZZSIJJYZSSO-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO CC(C)S(=O)(=O)c1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001174267133 906962134 /nfs/dbraw/zinc/96/21/34/906962134.db2.gz FLGMWRQHNQJHQJ-UHFFFAOYSA-N 1 0 375.519 3.533 20 30 GHEDRO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181495118 907013164 /nfs/dbraw/zinc/01/31/64/907013164.db2.gz WHSSISHKJOSCAX-UYAOXDASSA-N 1 0 383.536 3.877 20 30 GHEDRO CC(C)Oc1ccc([C@H](O)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181762951 907073081 /nfs/dbraw/zinc/07/30/81/907073081.db2.gz ZTYOLJDLJAQEMA-XMMPIXPASA-N 1 0 393.531 3.633 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 ZINC000182008729 907114435 /nfs/dbraw/zinc/11/44/35/907114435.db2.gz HBASVVQIZRFUFB-WMLDXEAASA-N 1 0 394.393 3.698 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H](C)Cc1ccccc1)[n+]1ccccc1 ZINC000191699726 907164838 /nfs/dbraw/zinc/16/48/38/907164838.db2.gz MQBQTJVYLQCGII-OAHLLOKOSA-O 1 0 394.520 3.739 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](Oc3ccccc3)C2)cc1C ZINC001174741457 907186815 /nfs/dbraw/zinc/18/68/15/907186815.db2.gz AXRIGYSJEXQZIH-JOCHJYFZSA-N 1 0 377.488 3.703 20 30 GHEDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(C#N)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000773410844 907228593 /nfs/dbraw/zinc/22/85/93/907228593.db2.gz XBPRJZNGYZZHIJ-OAQYLSRUSA-N 1 0 394.519 3.980 20 30 GHEDRO COc1cc2nc(CN(Cc3ccc(C#N)cc3)C(C)C)[nH]c(=O)c2cc1OC ZINC000299393881 921307713 /nfs/dbraw/zinc/30/77/13/921307713.db2.gz SJXDAELWRKTSQH-UHFFFAOYSA-N 1 0 392.459 3.635 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(C)cc2)c1 ZINC001175035270 907346613 /nfs/dbraw/zinc/34/66/13/907346613.db2.gz DVDMGDGFVAJTHX-XMMPIXPASA-N 1 0 389.499 3.722 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192087770 907401400 /nfs/dbraw/zinc/40/14/00/907401400.db2.gz KLFMSFCYMYMIJT-UHFFFAOYSA-N 1 0 398.304 3.546 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192093911 907401540 /nfs/dbraw/zinc/40/15/40/907401540.db2.gz VHYDMXFNBAWVDW-RDJZCZTQSA-N 1 0 393.871 3.861 20 30 GHEDRO C=C(C)[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000773473343 907431497 /nfs/dbraw/zinc/43/14/97/907431497.db2.gz BEZQQTGEAFZWPV-YLJYHZDGSA-N 1 0 393.478 3.525 20 30 GHEDRO CC(C)(C)[C@H]1CSCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001175697255 907672271 /nfs/dbraw/zinc/67/22/71/907672271.db2.gz BQHSUJGKHWLNIS-QGZVFWFLSA-N 1 0 398.494 3.637 20 30 GHEDRO CN(CCC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1)C(=O)OC(C)(C)C ZINC000779597294 907830893 /nfs/dbraw/zinc/83/08/93/907830893.db2.gz QZAWHAVGXURBHY-UHFFFAOYSA-N 1 0 397.523 3.675 20 30 GHEDRO C[N@H+](CCCCCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001175957167 907839360 /nfs/dbraw/zinc/83/93/60/907839360.db2.gz YSSGDNIQGFQMOV-UHFFFAOYSA-N 1 0 390.484 3.983 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2CN2CCCC2=O)c(O)c1 ZINC000192753796 907878148 /nfs/dbraw/zinc/87/81/48/907878148.db2.gz UTSSIFKCLVKFAH-LFVJCYFKSA-N 1 0 379.504 3.980 20 30 GHEDRO CCN(CC)C(=O)c1cc(F)cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001176295511 908018401 /nfs/dbraw/zinc/01/84/01/908018401.db2.gz OOZBCFIWWYNWED-UHFFFAOYSA-N 1 0 386.496 3.972 20 30 GHEDRO C=CCC1(O)CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC001176272038 908034976 /nfs/dbraw/zinc/03/49/76/908034976.db2.gz CVCYSGCDFBYBON-SFHVURJKSA-N 1 0 396.453 3.599 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cc(C(F)(F)F)c(C#N)cc2N)cn1 ZINC001176360356 908071673 /nfs/dbraw/zinc/07/16/73/908071673.db2.gz VZLGBTLCCOAEIP-UHFFFAOYSA-N 1 0 379.386 3.628 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000188779921 908247936 /nfs/dbraw/zinc/24/79/36/908247936.db2.gz ZYRJEPXDFUIBIA-OALUTQOASA-N 1 0 399.539 3.882 20 30 GHEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC001176771910 908258963 /nfs/dbraw/zinc/25/89/63/908258963.db2.gz XGMZMPCLQLLYAG-MRXNPFEDSA-N 1 0 390.553 3.524 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(OCC#N)cc1 ZINC000189814940 908378378 /nfs/dbraw/zinc/37/83/78/908378378.db2.gz BUFXBXLIOLVSQF-VFNWGFHPSA-N 1 0 399.441 3.709 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192129186 908725439 /nfs/dbraw/zinc/72/54/39/908725439.db2.gz BSRSSDHMSNPIDH-VQIMIIECSA-N 1 0 391.805 3.548 20 30 GHEDRO N#Cc1ccc(CN(C(=O)[C@@H](C#N)Cc2cccs2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001177917244 908801915 /nfs/dbraw/zinc/80/19/15/908801915.db2.gz FTSUOUMKUXCMPW-VAMGGRTRSA-N 1 0 392.528 3.601 20 30 GHEDRO COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CCC[C@H](C#N)C3)n2)ccc1O ZINC000192996271 908839205 /nfs/dbraw/zinc/83/92/05/908839205.db2.gz PRXIWTVUJDWRNQ-DOTOQJQBSA-N 1 0 384.480 3.836 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cccc([N+](=O)[O-])c1)C(=S)N[C@H](C)CC ZINC000194973675 908947511 /nfs/dbraw/zinc/94/75/11/908947511.db2.gz XYMMLJWPZBVRNA-CQSZACIVSA-O 1 0 386.497 3.772 20 30 GHEDRO N#CCCc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001178226555 908965008 /nfs/dbraw/zinc/96/50/08/908965008.db2.gz RAUDDOCZSXXMDJ-UHFFFAOYSA-N 1 0 396.922 3.947 20 30 GHEDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000266145866 909019458 /nfs/dbraw/zinc/01/94/58/909019458.db2.gz ISYRYTQWYRGVAE-KRWDZBQOSA-N 1 0 384.476 3.943 20 30 GHEDRO C#CCCCCCC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000779958382 909156663 /nfs/dbraw/zinc/15/66/63/909156663.db2.gz BKWMJAOKFNJHCD-UHFFFAOYSA-N 1 0 395.469 3.657 20 30 GHEDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000780001514 909259312 /nfs/dbraw/zinc/25/93/12/909259312.db2.gz CLMIOFXBBRTHAY-JOCHJYFZSA-N 1 0 376.504 3.690 20 30 GHEDRO COc1ccc(C#N)cc1NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001178901649 909304206 /nfs/dbraw/zinc/30/42/06/909304206.db2.gz UEDCAHSAFYHCMG-UHFFFAOYSA-N 1 0 375.375 3.562 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000267020304 909367993 /nfs/dbraw/zinc/36/79/93/909367993.db2.gz PKYSZSSBVCGPDP-UHFFFAOYSA-N 1 0 399.520 3.700 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001179081367 909377823 /nfs/dbraw/zinc/37/78/23/909377823.db2.gz FYNPOAQFDRBIIQ-VQTJNVASSA-N 1 0 398.551 3.962 20 30 GHEDRO N#Cc1ccc(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC001179142674 909385637 /nfs/dbraw/zinc/38/56/37/909385637.db2.gz KYHKCQNXOGVFEI-UHFFFAOYSA-N 1 0 381.277 3.839 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000267503923 909534643 /nfs/dbraw/zinc/53/46/43/909534643.db2.gz VQFCPPBTSBEXQS-PXNSSMCTSA-N 1 0 378.476 3.764 20 30 GHEDRO CCc1ccc(OCC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001180520725 910198034 /nfs/dbraw/zinc/19/80/34/910198034.db2.gz YFAZZMONFJZKNF-HZCBDIJESA-N 1 0 391.515 3.798 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1O ZINC001180811606 910379839 /nfs/dbraw/zinc/37/98/39/910379839.db2.gz UAKXCKOSDRGRKN-INIZCTEOSA-N 1 0 390.487 3.784 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000270199357 910478134 /nfs/dbraw/zinc/47/81/34/910478134.db2.gz JBPVXJDRJVIEKB-VQTJNVASSA-N 1 0 382.508 3.640 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3occc3COc3cccc(C#N)c3)C2)CC1 ZINC000270250894 910494539 /nfs/dbraw/zinc/49/45/39/910494539.db2.gz QJTLVHITRXRQEB-LJQANCHMSA-N 1 0 393.487 3.534 20 30 GHEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000271017018 910757042 /nfs/dbraw/zinc/75/70/42/910757042.db2.gz YDSUMSXEOMYABC-GOSISDBHSA-N 1 0 375.266 3.517 20 30 GHEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000271017024 910757226 /nfs/dbraw/zinc/75/72/26/910757226.db2.gz YDSUMSXEOMYABC-SFHVURJKSA-N 1 0 375.266 3.517 20 30 GHEDRO COC(=O)c1cc(CN(C)Cc2ccc(OC)c(OCCCC#N)c2)oc1C ZINC000271052398 910768675 /nfs/dbraw/zinc/76/86/75/910768675.db2.gz XBDUEQRYDMHMTO-UHFFFAOYSA-N 1 0 386.448 3.698 20 30 GHEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000271057026 910770806 /nfs/dbraw/zinc/77/08/06/910770806.db2.gz DEWJNJYILJLHDM-FEPNQTLGSA-N 1 0 397.544 3.649 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCc2nnc3n2CCCCC3)CC1 ZINC000271082682 910776405 /nfs/dbraw/zinc/77/64/05/910776405.db2.gz RZGJXIYSEZQZQZ-UHFFFAOYSA-N 1 0 377.536 3.931 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)o1 ZINC000271141769 910792004 /nfs/dbraw/zinc/79/20/04/910792004.db2.gz ANANAPPXQAIHJH-UHFFFAOYSA-N 1 0 388.265 3.764 20 30 GHEDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000271207238 910817018 /nfs/dbraw/zinc/81/70/18/910817018.db2.gz WQYNHYQPFOZECO-FQEVSTJZSA-N 1 0 384.476 3.552 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1F ZINC001181565493 910858787 /nfs/dbraw/zinc/85/87/87/910858787.db2.gz QXGXIKCKLMVJRY-UHFFFAOYSA-N 1 0 377.410 3.863 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)CC1 ZINC000640294400 910957504 /nfs/dbraw/zinc/95/75/04/910957504.db2.gz XEZCEUXOYZMMPU-UHFFFAOYSA-N 1 0 390.553 3.742 20 30 GHEDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773957116 911094645 /nfs/dbraw/zinc/09/46/45/911094645.db2.gz JRNYHGIBHXHGOI-HTAPYJJXSA-N 1 0 378.476 3.505 20 30 GHEDRO N#Cc1ccccc1OCCCNC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182041294 911144377 /nfs/dbraw/zinc/14/43/77/911144377.db2.gz WNJVRWPORCMBMT-UHFFFAOYSA-N 1 0 391.515 3.746 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1)CC(C)C ZINC000773981528 911218575 /nfs/dbraw/zinc/21/85/75/911218575.db2.gz GNTJQJUXNYTSSG-UHFFFAOYSA-N 1 0 385.552 3.738 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000091858315 911305720 /nfs/dbraw/zinc/30/57/20/911305720.db2.gz KZWPQPXQUVWPBM-UHFFFAOYSA-N 1 0 383.879 3.598 20 30 GHEDRO COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3C)C2)c1 ZINC001182340227 911508394 /nfs/dbraw/zinc/50/83/94/911508394.db2.gz FSIPFYYPNWFSFG-LJQANCHMSA-N 1 0 391.471 3.504 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000641986049 911646629 /nfs/dbraw/zinc/64/66/29/911646629.db2.gz IVPCXKQOTTZEPO-NRFANRHFSA-N 1 0 380.488 3.827 20 30 GHEDRO CC[C@@H](C(=O)OC[C@H](C#N)Cc1cccc(Br)c1)[NH+](CC)CC ZINC000774390024 911732236 /nfs/dbraw/zinc/73/22/36/911732236.db2.gz FRNXJRZQFXAMBZ-RDJZCZTQSA-N 1 0 381.314 3.795 20 30 GHEDRO C=CC[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000642099343 911754098 /nfs/dbraw/zinc/75/40/98/911754098.db2.gz KRQQEMRDLKPKIU-UHFFFAOYSA-N 1 0 381.495 3.553 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cccc(C)c3Br)C2)C1=O ZINC001275003282 912118187 /nfs/dbraw/zinc/11/81/87/912118187.db2.gz NPWIXQGLNGGEBZ-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO CC[C@H](C)N1CC[C@@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014947 912147946 /nfs/dbraw/zinc/14/79/46/912147946.db2.gz QQERQPLFXIVMCW-DJJJIMSYSA-N 1 0 394.972 3.858 20 30 GHEDRO CC[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001275015009 912148679 /nfs/dbraw/zinc/14/86/79/912148679.db2.gz UCHZDWPPUZGNNG-CYBMUJFWSA-N 1 0 394.972 3.858 20 30 GHEDRO C[C@@H]1[C@H](CC(=O)Nc2cnc(C#N)cn2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186934464 914883636 /nfs/dbraw/zinc/88/36/36/914883636.db2.gz DODSYEKXXBSYOV-YLJYHZDGSA-N 1 0 397.482 3.787 20 30 GHEDRO N#Cc1cccc(NC(=O)CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 ZINC000796364122 915003820 /nfs/dbraw/zinc/00/38/20/915003820.db2.gz QATYPUBYBSHAIR-HSZRJFAPSA-N 1 0 385.467 3.733 20 30 GHEDRO COc1cc(OC)c(OC)cc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000303773955 915120848 /nfs/dbraw/zinc/12/08/48/915120848.db2.gz FPZVPGZIQSADEM-UHFFFAOYSA-N 1 0 399.369 3.538 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCC[NH+]2CCOCC2)cc1 ZINC000303872484 915231004 /nfs/dbraw/zinc/23/10/04/915231004.db2.gz BZYRWBOCUOOMIB-UHFFFAOYSA-N 1 0 380.536 3.665 20 30 GHEDRO CC(=O)Nc1ccc(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000303874848 915233957 /nfs/dbraw/zinc/23/39/57/915233957.db2.gz HKKQXJNBUSBMGZ-UHFFFAOYSA-N 1 0 380.370 3.513 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498927 915308988 /nfs/dbraw/zinc/30/89/88/915308988.db2.gz UENOXNRHXHTEPA-WBVHZDCISA-N 1 0 397.357 3.972 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000647553912 915320925 /nfs/dbraw/zinc/32/09/25/915320925.db2.gz MUVGZZBLSVBWAM-QGZVFWFLSA-N 1 0 395.341 3.787 20 30 GHEDRO N#Cc1c[nH]c(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000291705312 915326186 /nfs/dbraw/zinc/32/61/86/915326186.db2.gz GWYHGYGRZSGHLS-JOCHJYFZSA-N 1 0 399.498 3.588 20 30 GHEDRO COCCOc1ncccc1CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000304464318 915516959 /nfs/dbraw/zinc/51/69/59/915516959.db2.gz AOBRQKPUDLRNEI-UHFFFAOYSA-N 1 0 392.459 3.826 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NC1CCC1)[n+]1ccc(C(C)(C)C)cc1 ZINC000292245192 915580359 /nfs/dbraw/zinc/58/03/59/915580359.db2.gz CTEAAXBKLCDKGV-UHFFFAOYSA-O 1 0 386.541 3.957 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000304744363 915668624 /nfs/dbraw/zinc/66/86/24/915668624.db2.gz DQLMKSAJNFOJRB-UHFFFAOYSA-N 1 0 377.366 3.501 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(N3CC=CC3)c2)c1 ZINC000304759807 915674357 /nfs/dbraw/zinc/67/43/57/915674357.db2.gz ROZSUXZYJZOKBN-UHFFFAOYSA-N 1 0 380.492 3.787 20 30 GHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000304763560 915700459 /nfs/dbraw/zinc/70/04/59/915700459.db2.gz WXMDAYDVRFJMTF-IUODEOHRSA-N 1 0 385.336 3.824 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)Oc2cccc(F)c2)c1 ZINC000304790278 915701844 /nfs/dbraw/zinc/70/18/44/915701844.db2.gz KEUBTYSVQJTVOG-AWEZNQCLSA-N 1 0 375.444 3.817 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001188030744 915723722 /nfs/dbraw/zinc/72/37/22/915723722.db2.gz UIIFTVFJIXLXQG-UHFFFAOYSA-N 1 0 381.586 3.574 20 30 GHEDRO [NH2+]=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)N1CCCCCC1 ZINC000305077549 915884785 /nfs/dbraw/zinc/88/47/85/915884785.db2.gz RAKXLDAADCSMCG-UHFFFAOYSA-N 1 0 388.519 3.684 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C2)CC1 ZINC000292919607 915903616 /nfs/dbraw/zinc/90/36/16/915903616.db2.gz GDMVHSFBYDVSDC-HNNXBMFYSA-N 1 0 394.441 3.556 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC001188989374 916325388 /nfs/dbraw/zinc/32/53/88/916325388.db2.gz IDKIXXSDBAZKDA-UHFFFAOYSA-N 1 0 397.350 3.817 20 30 GHEDRO [NH2+]=C(NC[C@@H]1COC2(CCCCCC2)O1)Nc1ccccc1OC(F)(F)F ZINC000305836876 916463363 /nfs/dbraw/zinc/46/33/63/916463363.db2.gz QDXBJTMRZVYCNW-CYBMUJFWSA-N 1 0 387.402 3.778 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cc(C)cc2cccnc21)C(C)C ZINC001189253482 916497799 /nfs/dbraw/zinc/49/77/99/916497799.db2.gz MPXLRGYJPJFSQE-IBGZPJMESA-N 1 0 387.549 3.520 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@]2(C#N)CC23CCCC3)cc1OC ZINC000294649128 916910265 /nfs/dbraw/zinc/91/02/65/916910265.db2.gz RCHIZAJKULMEBS-HSZRJFAPSA-N 1 0 399.535 3.506 20 30 GHEDRO C=CCOc1c(Br)cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294727030 916950618 /nfs/dbraw/zinc/95/06/18/916950618.db2.gz DAJXQTPNAVKPMC-MQVJKMGUSA-N 1 0 395.341 3.737 20 30 GHEDRO N#Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1F ZINC001190545130 917401546 /nfs/dbraw/zinc/40/15/46/917401546.db2.gz JLAJVQMRGJYAJX-PMACEKPBSA-N 1 0 377.463 3.682 20 30 GHEDRO C#CC[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000775400564 917432186 /nfs/dbraw/zinc/43/21/86/917432186.db2.gz PSPAAJXVKDVKTN-IBGZPJMESA-N 1 0 376.481 3.703 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)CC1 ZINC000362876791 917482013 /nfs/dbraw/zinc/48/20/13/917482013.db2.gz MPCHTUYIPDJUQL-UHFFFAOYSA-N 1 0 391.422 3.836 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000295929165 917622952 /nfs/dbraw/zinc/62/29/52/917622952.db2.gz ILRVTYJPUHVUJU-OAQYLSRUSA-N 1 0 395.551 3.808 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000651517393 917634596 /nfs/dbraw/zinc/63/45/96/917634596.db2.gz AXIGNIGUVATLOM-LJQANCHMSA-N 1 0 379.552 3.560 20 30 GHEDRO C=CC[C@H]1CC[C@H](Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)C1 ZINC000651655862 917686754 /nfs/dbraw/zinc/68/67/54/917686754.db2.gz LAPBAELMJADHID-IRXDYDNUSA-N 1 0 375.488 3.643 20 30 GHEDRO C#Cc1ccccc1C(=O)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001191108929 917760373 /nfs/dbraw/zinc/76/03/73/917760373.db2.gz ZSQJQWKHLUMPKD-UHFFFAOYSA-N 1 0 379.529 3.704 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(F)c(F)c1 ZINC000652180617 917830450 /nfs/dbraw/zinc/83/04/50/917830450.db2.gz ZYIIOPGEZHKNKJ-FEHORTKBSA-N 1 0 393.478 3.510 20 30 GHEDRO CC[NH+]1CCC(CC2CCN(C(=O)c3ccc(C#CC(C)(C)O)cc3)CC2)CC1 ZINC001191176616 917833103 /nfs/dbraw/zinc/83/31/03/917833103.db2.gz VYBMZXQJDGHKOD-UHFFFAOYSA-N 1 0 396.575 3.783 20 30 GHEDRO C=CCCn1cc(C[N@@H+](CC)C2CCN(c3cc(C)nc(C(C)C)n3)CC2)nn1 ZINC000653581423 918328362 /nfs/dbraw/zinc/32/83/62/918328362.db2.gz OWMMQNLRKJYIFS-UHFFFAOYSA-N 1 0 397.571 3.567 20 30 GHEDRO C=CCCn1cc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)nn1 ZINC000653588831 918335116 /nfs/dbraw/zinc/33/51/16/918335116.db2.gz KVDOTVFOXVXYGS-UHFFFAOYSA-N 1 0 385.515 3.742 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4cnccc4c3)CC2)cc1 ZINC000296880472 918877302 /nfs/dbraw/zinc/87/73/02/918877302.db2.gz KJNHBLFKIXYNDM-UHFFFAOYSA-N 1 0 385.471 3.846 20 30 GHEDRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1c(Cl)cccc1Cl ZINC000115599558 919459825 /nfs/dbraw/zinc/45/98/25/919459825.db2.gz BYACKTJYLHUPOO-KRWDZBQOSA-N 1 0 376.287 3.959 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816080 919518813 /nfs/dbraw/zinc/51/88/13/919518813.db2.gz PGNXZWFZXVIYJB-CQSZACIVSA-N 1 0 387.867 3.558 20 30 GHEDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000118818627 919597535 /nfs/dbraw/zinc/59/75/35/919597535.db2.gz UBVZOEJDZFFIQH-UHFFFAOYSA-N 1 0 396.466 3.836 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](C/C(Br)=C/c3ccccc3)C2)C1=O ZINC001276375801 919648198 /nfs/dbraw/zinc/64/81/98/919648198.db2.gz XXJFYUOYHMELQF-SQWSFHKJSA-N 1 0 389.337 3.923 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)ccc1Br)CC2 ZINC001275927108 919757510 /nfs/dbraw/zinc/75/75/10/919757510.db2.gz LMRPQMFZMCZTCK-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3c(F)cccc3Br)CC2)C1=O ZINC001275950245 920072804 /nfs/dbraw/zinc/07/28/04/920072804.db2.gz ZDWLGROFAMJGGI-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3Br)C2)C1=O ZINC001275958317 920229935 /nfs/dbraw/zinc/22/99/35/920229935.db2.gz SRGWHKYZBMHHCH-QGZVFWFLSA-N 1 0 383.717 3.713 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000900575401 920415730 /nfs/dbraw/zinc/41/57/30/920415730.db2.gz WHESUDPEYVXLFS-UHFFFAOYSA-N 1 0 388.515 3.723 20 30 GHEDRO C=CCn1c(S[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1cccnc1 ZINC000298547499 920654533 /nfs/dbraw/zinc/65/45/33/920654533.db2.gz YNORCMBRJZPHDX-IBGZPJMESA-N 1 0 377.517 3.893 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000298745588 920877409 /nfs/dbraw/zinc/87/74/09/920877409.db2.gz LDIMCKVICGQGDP-UHFFFAOYSA-N 1 0 397.425 3.760 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000801427167 921022153 /nfs/dbraw/zinc/02/21/53/921022153.db2.gz PDTJRVWMJKUKSK-UHFFFAOYSA-N 1 0 399.878 3.849 20 30 GHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC(C#N)(c2ccccn2)CC1 ZINC000367058112 921897946 /nfs/dbraw/zinc/89/79/46/921897946.db2.gz PYAZQZFFJCQXEF-QGZVFWFLSA-N 1 0 385.471 3.514 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000367681687 922265437 /nfs/dbraw/zinc/26/54/37/922265437.db2.gz MDJMIRCNXHTORM-UHFFFAOYSA-N 1 0 385.817 3.747 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000368003316 922419078 /nfs/dbraw/zinc/41/90/78/922419078.db2.gz XHZYXRMKQQGMMH-MRXNPFEDSA-N 1 0 385.899 3.509 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000903280111 922905443 /nfs/dbraw/zinc/90/54/43/922905443.db2.gz SJERWLJMFAKQLN-TWTVVONZSA-N 1 0 391.556 3.853 20 30 GHEDRO Cc1ncccc1CC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000903418818 923002893 /nfs/dbraw/zinc/00/28/93/923002893.db2.gz OHXMPFDQIYLXTJ-QGZVFWFLSA-N 1 0 386.540 3.842 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cnc(-c4cccs4)s3)CC2)nc1 ZINC000370236548 923977922 /nfs/dbraw/zinc/97/79/22/923977922.db2.gz PTMCAGNOUAQNDD-UHFFFAOYSA-N 1 0 381.530 3.897 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000371770970 924840035 /nfs/dbraw/zinc/84/00/35/924840035.db2.gz ZPQGDMSRUDQXLP-QZTJIDSGSA-N 1 0 386.565 3.580 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)C(C)C ZINC000410126016 925333021 /nfs/dbraw/zinc/33/30/21/925333021.db2.gz UDNCSUHXXKGELH-KSEOMHKRSA-N 1 0 385.552 3.857 20 30 GHEDRO C=CCN1CC[C@@H]([N@H+](C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)C1=O ZINC000410369173 925588733 /nfs/dbraw/zinc/58/87/33/925588733.db2.gz AIYGDLGOCYROTK-OAQYLSRUSA-N 1 0 384.499 3.647 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)c(OC)c(Cl)c3)CC2)C1=O ZINC001276134067 925879370 /nfs/dbraw/zinc/87/93/70/925879370.db2.gz ASZFOCDQGKNAFT-HXUWFJFHSA-N 1 0 395.330 3.840 20 30 GHEDRO N#CC[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000373516009 926212593 /nfs/dbraw/zinc/21/25/93/926212593.db2.gz PHENCSVUTILBFV-JOCHJYFZSA-N 1 0 386.499 3.749 20 30 GHEDRO N#CC[C@H](CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000373628912 926298183 /nfs/dbraw/zinc/29/81/83/926298183.db2.gz MFZQHKSJQLYSML-IPJUCJBFSA-N 1 0 393.453 3.995 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000411410924 926371574 /nfs/dbraw/zinc/37/15/74/926371574.db2.gz UFEBQKTZMKWRMT-IRXDYDNUSA-N 1 0 393.940 3.527 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000411470393 926429079 /nfs/dbraw/zinc/42/90/79/926429079.db2.gz CANYAGKIGOZPPM-ZHRRBRCNSA-N 1 0 385.471 3.509 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C1CCOCC1 ZINC000411477523 926433095 /nfs/dbraw/zinc/43/30/95/926433095.db2.gz IKSPMHCAHBPJMR-KSSFIOAISA-N 1 0 389.565 3.868 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CCCO1 ZINC000411516668 926475774 /nfs/dbraw/zinc/47/57/74/926475774.db2.gz KITWTRXRHJIWGZ-XOKHGSTOSA-N 1 0 375.538 3.620 20 30 GHEDRO Cc1ccncc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411664047 926620835 /nfs/dbraw/zinc/62/08/35/926620835.db2.gz IMCLVJRRAXMNNS-AWEZNQCLSA-N 1 0 382.533 3.909 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3CCC[C@H]3OC(F)F)sc2C1 ZINC000411716616 926674913 /nfs/dbraw/zinc/67/49/13/926674913.db2.gz FPOWIECZXRQMCN-KCPJHIHWSA-N 1 0 397.491 3.823 20 30 GHEDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)C ZINC000411716637 926674919 /nfs/dbraw/zinc/67/49/19/926674919.db2.gz FULZEUOYHLRLQP-RHSMWYFYSA-N 1 0 377.554 3.724 20 30 GHEDRO COc1c(C)cnc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000411797182 926774459 /nfs/dbraw/zinc/77/44/59/926774459.db2.gz TZOZCZBEDFVTDB-UHFFFAOYSA-N 1 0 386.883 3.693 20 30 GHEDRO C[C@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411821367 926819588 /nfs/dbraw/zinc/81/95/88/926819588.db2.gz NXYJTFZLRBJODV-OAHLLOKOSA-N 1 0 382.533 3.833 20 30 GHEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000374216210 926905967 /nfs/dbraw/zinc/90/59/67/926905967.db2.gz GDFAHAKAZVLZFH-YPAWHYETSA-N 1 0 388.515 3.679 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]c3cc(Br)ccc23)C1=O ZINC001276185255 926917595 /nfs/dbraw/zinc/91/75/95/926917595.db2.gz FPXPUCVYFRONNY-IBGZPJMESA-N 1 0 388.309 3.683 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000749198923 926997513 /nfs/dbraw/zinc/99/75/13/926997513.db2.gz UCVMHIKWZQRPRZ-KRWDZBQOSA-N 1 0 382.533 3.770 20 30 GHEDRO N#Cc1ccccc1N1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000749533364 927172408 /nfs/dbraw/zinc/17/24/08/927172408.db2.gz MGAXHWXIAAKWRD-UHFFFAOYSA-N 1 0 397.482 3.518 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000749586120 927203876 /nfs/dbraw/zinc/20/38/76/927203876.db2.gz AEUCUVHYQQYZHE-RXVVDRJESA-N 1 0 387.568 3.751 20 30 GHEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000374523243 927241635 /nfs/dbraw/zinc/24/16/35/927241635.db2.gz VNLSEHNOJIYMNX-IBGZPJMESA-N 1 0 396.560 3.839 20 30 GHEDRO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]N[C@@H]1CCOC(C)(C)C1 ZINC000780252137 927370544 /nfs/dbraw/zinc/37/05/44/927370544.db2.gz WNYXEIFAHDZFRY-GOSISDBHSA-N 1 0 381.524 3.662 20 30 GHEDRO Cc1cc(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c(C)n1-c1ccccc1 ZINC000750447605 927642363 /nfs/dbraw/zinc/64/23/63/927642363.db2.gz AMQMANWGXYUMHJ-HSZRJFAPSA-N 1 0 389.499 3.538 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)c1ccccc1 ZINC000750615277 927752505 /nfs/dbraw/zinc/75/25/05/927752505.db2.gz INOSICMBQWTHRH-GMAHTHKFSA-N 1 0 377.488 3.521 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000751005300 927977464 /nfs/dbraw/zinc/97/74/64/927977464.db2.gz QXWVHHLDWSKBSD-RXVVDRJESA-N 1 0 377.488 3.873 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)C[C@H](CC#N)c3ccccc3)cc2)CC1 ZINC000375295366 928134122 /nfs/dbraw/zinc/13/41/22/928134122.db2.gz GZAHDSNPQMVBQY-NRFANRHFSA-N 1 0 391.515 3.863 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccc(F)cc3)c3ccccn3)CC2)nc1 ZINC000375537335 928412290 /nfs/dbraw/zinc/41/22/90/928412290.db2.gz NJGFMDUZJUKQSZ-HSZRJFAPSA-N 1 0 387.462 3.835 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874174 928523402 /nfs/dbraw/zinc/52/34/02/928523402.db2.gz HIZPSOQMDWVVNM-OAHLLOKOSA-N 1 0 387.487 3.865 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466956481 928541617 /nfs/dbraw/zinc/54/16/17/928541617.db2.gz YSFKPGAOCXDJFE-GOSISDBHSA-N 1 0 394.544 3.812 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1C#N ZINC000752308082 928745443 /nfs/dbraw/zinc/74/54/43/928745443.db2.gz NPUQPKYRANMWPS-UHFFFAOYSA-N 1 0 399.495 3.609 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000467318067 928952555 /nfs/dbraw/zinc/95/25/55/928952555.db2.gz LMHAOMNZQNLEHH-QGZVFWFLSA-N 1 0 377.916 3.644 20 30 GHEDRO C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000544355446 929086010 /nfs/dbraw/zinc/08/60/10/929086010.db2.gz GUWQESKEANPRKF-BEFAXECRSA-N 1 0 380.479 3.978 20 30 GHEDRO C#CCNC(=O)[C@@H]1CC12CC[NH+](CCCc1ccc(Cl)c(Cl)c1)CC2 ZINC001276275986 929176238 /nfs/dbraw/zinc/17/62/38/929176238.db2.gz INQZICNLPQFEIX-INIZCTEOSA-N 1 0 379.331 3.778 20 30 GHEDRO CCc1nnc(NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c(C#N)c1CC ZINC000467730264 929349056 /nfs/dbraw/zinc/34/90/56/929349056.db2.gz CRVBABXZIVTWEN-FQEVSTJZSA-N 1 0 379.508 3.731 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469251882 929736424 /nfs/dbraw/zinc/73/64/24/929736424.db2.gz NIMQOWXSVPAJOV-INIZCTEOSA-N 1 0 380.492 3.844 20 30 GHEDRO C#CC[C@@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000757769249 929794020 /nfs/dbraw/zinc/79/40/20/929794020.db2.gz WBIDNEZTRLLCAC-XZOQPEGZSA-N 1 0 390.531 3.842 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc(C#N)ccc1F ZINC000469435364 929883847 /nfs/dbraw/zinc/88/38/47/929883847.db2.gz AXYQXVSMOSVSAS-NRFANRHFSA-N 1 0 382.483 3.653 20 30 GHEDRO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469737655 930125072 /nfs/dbraw/zinc/12/50/72/930125072.db2.gz RWEXCRJEIQRGRV-CHWSQXEVSA-N 1 0 384.307 3.643 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469884379 930234923 /nfs/dbraw/zinc/23/49/23/930234923.db2.gz NDLQSWXSPZXNSC-UXLLHSPISA-N 1 0 395.341 3.582 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(F)c(C#N)c1 ZINC000469900995 930244808 /nfs/dbraw/zinc/24/48/08/930244808.db2.gz YOPSIJQHADJLBP-IBGZPJMESA-N 1 0 381.451 3.530 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000546707543 930370881 /nfs/dbraw/zinc/37/08/81/930370881.db2.gz IQSQAMJHFPJQIA-APWZRJJASA-N 1 0 378.476 3.599 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000470324220 930531488 /nfs/dbraw/zinc/53/14/88/930531488.db2.gz WCNJPDQCWCBSTF-UHFFFAOYSA-N 1 0 382.426 3.874 20 30 GHEDRO CS(=O)(=O)c1ccccc1N=NC1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781127715 930709046 /nfs/dbraw/zinc/70/90/46/930709046.db2.gz QAFJUOAYROAZED-OALUTQOASA-N 1 0 397.544 3.790 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1F ZINC000781422049 930837428 /nfs/dbraw/zinc/83/74/28/930837428.db2.gz KPWSMIWKCZJIAE-PIGZYNQJSA-N 1 0 376.815 3.506 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1 ZINC000781467461 930858805 /nfs/dbraw/zinc/85/88/05/930858805.db2.gz VXUDIXSPUCXSGU-FQEVSTJZSA-N 1 0 398.547 3.596 20 30 GHEDRO CC[C@@H]1C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@H]1c1ccccc1 ZINC000470896732 931010094 /nfs/dbraw/zinc/01/00/94/931010094.db2.gz IDECVVRXEQPNSH-QIJUGHKUSA-N 1 0 387.483 3.706 20 30 GHEDRO COC(=O)c1ccc(NN=C(C)c2cccc(OCC[NH+](C)C)c2)cc1Cl ZINC000782237276 931133539 /nfs/dbraw/zinc/13/35/39/931133539.db2.gz BPYMVEJFWXDMPT-UHFFFAOYSA-N 1 0 389.883 3.903 20 30 GHEDRO C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782524409 931256384 /nfs/dbraw/zinc/25/63/84/931256384.db2.gz QVBZVFPNGJPVFB-CQSZACIVSA-N 1 0 375.394 3.944 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000783299186 931514471 /nfs/dbraw/zinc/51/44/71/931514471.db2.gz AEPDTMXMHQVLNW-LEWJYISDSA-N 1 0 392.503 3.836 20 30 GHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccccc2O1 ZINC000557619104 931576231 /nfs/dbraw/zinc/57/62/31/931576231.db2.gz WRILIRGZUPYJJM-AWEZNQCLSA-N 1 0 381.501 3.720 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](CO)c1ccccc1 ZINC000925087756 931640079 /nfs/dbraw/zinc/64/00/79/931640079.db2.gz DKSAQYLOVCVMOV-IEBWSBKVSA-N 1 0 387.524 3.629 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000925129091 931667506 /nfs/dbraw/zinc/66/75/06/931667506.db2.gz MVSVBHGUAFKTAN-TVFCKZIOSA-N 1 0 391.556 3.709 20 30 GHEDRO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1=S ZINC000777557465 931733280 /nfs/dbraw/zinc/73/32/80/931733280.db2.gz QLLAPVFQEDNQDN-JOCHJYFZSA-N 1 0 390.512 3.912 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCC[C@](C)(C#N)C2)c1=S ZINC000784011305 931755440 /nfs/dbraw/zinc/75/54/40/931755440.db2.gz DDBZBTNZLWQJPD-QFBILLFUSA-N 1 0 378.590 3.810 20 30 GHEDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000784183262 931808551 /nfs/dbraw/zinc/80/85/51/931808551.db2.gz CGSNQTSHGUZUSA-UHFFFAOYSA-N 1 0 387.524 3.648 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)c2ncc(C#N)cc2Cl)[NH+](CC)CC)cc1 ZINC000558349963 931955662 /nfs/dbraw/zinc/95/56/62/931955662.db2.gz KTHMFXQJWDBDHO-LJQANCHMSA-N 1 0 384.911 3.982 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)CCOCC1 ZINC000796681970 932029795 /nfs/dbraw/zinc/02/97/95/932029795.db2.gz FPBSXVCWNVTRCT-IBGZPJMESA-N 1 0 377.529 3.610 20 30 GHEDRO N#Cc1ccc(-n2nccc2NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000558532496 932057770 /nfs/dbraw/zinc/05/77/70/932057770.db2.gz MRPXFZKXZRISAD-UHFFFAOYSA-N 1 0 385.471 3.982 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](CCO)c1ccco1 ZINC000926195787 932078876 /nfs/dbraw/zinc/07/88/76/932078876.db2.gz FXDJYRVFCLCFTO-DLBZAZTESA-N 1 0 391.512 3.612 20 30 GHEDRO CO[C@@](C)(C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926455545 932191264 /nfs/dbraw/zinc/19/12/64/932191264.db2.gz AFXOILZFVHSFOH-JXFKEZNVSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000926583408 932235586 /nfs/dbraw/zinc/23/55/86/932235586.db2.gz GYKFRWDYTHFPTO-TVFCKZIOSA-N 1 0 379.545 3.709 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000558896126 932299934 /nfs/dbraw/zinc/29/99/34/932299934.db2.gz MXGLGEUNKWOWTF-KRWDZBQOSA-N 1 0 390.499 3.554 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000926799338 932310633 /nfs/dbraw/zinc/31/06/33/932310633.db2.gz RNRLVTYRMGFJRI-BFHYXJOUSA-N 1 0 375.435 3.846 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)ccc1S(=O)(=O)C(F)F ZINC000926966896 932365903 /nfs/dbraw/zinc/36/59/03/932365903.db2.gz NNONJVWMWPGVRO-CYBMUJFWSA-N 1 0 394.443 3.722 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000559004557 932368071 /nfs/dbraw/zinc/36/80/71/932368071.db2.gz XWVJTBGARSEZES-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000559034738 932385082 /nfs/dbraw/zinc/38/50/82/932385082.db2.gz VIMARQAHXIVQHM-HNNXBMFYSA-N 1 0 396.438 3.846 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNS(=O)(=O)Cc2ccccc2)CC1 ZINC000797786894 932407783 /nfs/dbraw/zinc/40/77/83/932407783.db2.gz QLOFCIINVIXOEE-UHFFFAOYSA-N 1 0 385.533 3.537 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNS(=O)(=O)CCc2ccccc2)CC1 ZINC000797786769 932407863 /nfs/dbraw/zinc/40/78/63/932407863.db2.gz LCKMRUIBDKBMDT-UHFFFAOYSA-N 1 0 399.560 3.579 20 30 GHEDRO C[C@@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000798366381 932616089 /nfs/dbraw/zinc/61/60/89/932616089.db2.gz ASXXWTNZOHIHHF-JPYJTQIMSA-N 1 0 376.504 3.831 20 30 GHEDRO C[N@H+](CCCOc1ccc(Cl)cc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000559370711 932635659 /nfs/dbraw/zinc/63/56/59/932635659.db2.gz LHACMAITHKCGCV-HXUWFJFHSA-N 1 0 383.879 3.718 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000799125623 932883218 /nfs/dbraw/zinc/88/32/18/932883218.db2.gz RFSRHPAQKZPMFU-QZTJIDSGSA-N 1 0 379.545 3.712 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799196767 932911435 /nfs/dbraw/zinc/91/14/35/932911435.db2.gz WUKOAFBGWYZWDM-UXHICEINSA-N 1 0 376.504 3.823 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799210326 932917311 /nfs/dbraw/zinc/91/73/11/932917311.db2.gz DYPCKMIJATYEPE-QFIPXVFZSA-N 1 0 378.476 3.601 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1cccnc1 ZINC000928838075 933126030 /nfs/dbraw/zinc/12/60/30/933126030.db2.gz QXTMWMBYPRXRNX-MRXNPFEDSA-N 1 0 377.275 3.683 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000560258763 933166881 /nfs/dbraw/zinc/16/68/81/933166881.db2.gz CVBCLPSUEMAUJY-RXVVDRJESA-N 1 0 399.420 3.548 20 30 GHEDRO COc1ccc(C[C@H](C)[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC001116322698 933479872 /nfs/dbraw/zinc/47/98/72/933479872.db2.gz LFPRTCHYFBBYCF-INIZCTEOSA-N 1 0 383.517 3.812 20 30 GHEDRO N#Cc1cc(S(=O)(=O)Nc2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC001116685643 933703415 /nfs/dbraw/zinc/70/34/15/933703415.db2.gz HGGSDIPMVWHKLC-UHFFFAOYSA-N 1 0 375.881 3.608 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000930170628 933874954 /nfs/dbraw/zinc/87/49/54/933874954.db2.gz FCYHXJZRYHULDW-SIKLNZKXSA-N 1 0 390.487 3.614 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000930193627 933885143 /nfs/dbraw/zinc/88/51/43/933885143.db2.gz RUYZWVVRCGPOTO-FQEVSTJZSA-N 1 0 375.472 3.585 20 30 GHEDRO CN(Cc1cc(F)cc(F)c1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001118244076 934119931 /nfs/dbraw/zinc/11/99/31/934119931.db2.gz LIZVMBWPHQVQEH-UHFFFAOYSA-N 1 0 398.457 3.642 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000561753225 934421516 /nfs/dbraw/zinc/42/15/16/934421516.db2.gz GWMLHEDWSDTPLG-JPYJTQIMSA-N 1 0 389.499 3.836 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4c[nH]c5ncccc45)C3)o2)cc1 ZINC000931369317 934525752 /nfs/dbraw/zinc/52/57/52/934525752.db2.gz SOFFSVGGHYSODA-KRWDZBQOSA-N 1 0 384.443 3.864 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000561877686 934530715 /nfs/dbraw/zinc/53/07/15/934530715.db2.gz IBMOTOOTQYCXLX-QFIPXVFZSA-N 1 0 379.504 3.616 20 30 GHEDRO C=C(C)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC001120920599 934536001 /nfs/dbraw/zinc/53/60/01/934536001.db2.gz HSZYFQIUMNIZFZ-PXNSSMCTSA-N 1 0 397.544 3.919 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](CCO)c3ccc(Cl)cc3)CC2)cc1 ZINC000562044977 934654341 /nfs/dbraw/zinc/65/43/41/934654341.db2.gz RIOJELZKSYFYJY-QFIPXVFZSA-N 1 0 383.923 3.889 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001121502972 934677199 /nfs/dbraw/zinc/67/71/99/934677199.db2.gz ZGFAQGWVTLZNDM-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO C[N@H+](CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1CCCC1 ZINC000562096536 934693802 /nfs/dbraw/zinc/69/38/02/934693802.db2.gz HKZKGQZBLUWBBF-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C=CCn1c([C@@H](CC)[C@@H](O)c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121553501 934695613 /nfs/dbraw/zinc/69/56/13/934695613.db2.gz OIMZHGAHJGGDME-SFTDATJTSA-N 1 0 397.567 3.658 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001121572107 934701721 /nfs/dbraw/zinc/70/17/21/934701721.db2.gz AKXSQDWRBNDBFD-QGZVFWFLSA-N 1 0 392.507 3.528 20 30 GHEDRO C=CCn1c(Cc2ccc3ccccc3n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001121579307 934704226 /nfs/dbraw/zinc/70/42/26/934704226.db2.gz YDFAVQSIXBRGLL-UHFFFAOYSA-N 1 0 390.535 3.524 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1cccc(C)c1 ZINC001121628657 934719490 /nfs/dbraw/zinc/71/94/90/934719490.db2.gz GVRXAOJJKHSVSS-OAQYLSRUSA-N 1 0 395.551 3.725 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000562178343 934746652 /nfs/dbraw/zinc/74/66/52/934746652.db2.gz TYWKNJBSDQSBDG-QFIPXVFZSA-N 1 0 399.535 3.725 20 30 GHEDRO C=CCOc1ccc(CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)cc1 ZINC000562214931 934762663 /nfs/dbraw/zinc/76/26/63/934762663.db2.gz RCFVMNKZWPWRFS-UHFFFAOYSA-N 1 0 383.492 3.822 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000931919836 934765564 /nfs/dbraw/zinc/76/55/64/934765564.db2.gz UFANRNGAOVWBOL-QGZVFWFLSA-N 1 0 378.373 3.825 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CCC(CC#N)CC1 ZINC001121793324 934765848 /nfs/dbraw/zinc/76/58/48/934765848.db2.gz FYQWHERXYHOUNF-UHFFFAOYSA-N 1 0 392.551 3.808 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)C2CC3(C2)C[C@@H]([NH3+])CCO3)s1 ZINC001121899806 934786294 /nfs/dbraw/zinc/78/62/94/934786294.db2.gz IWXNUMVGNLFDFX-HVEKOLDVSA-N 1 0 380.558 3.666 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2CC)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001122394224 934861026 /nfs/dbraw/zinc/86/10/26/934861026.db2.gz ZNRHWBPMGRAGJZ-MRXNPFEDSA-N 1 0 388.585 3.708 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ncccc23)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001122471746 934877761 /nfs/dbraw/zinc/87/77/61/934877761.db2.gz MFFWMXXJPHYRLO-KRWDZBQOSA-N 1 0 393.539 3.566 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001122549295 934896918 /nfs/dbraw/zinc/89/69/18/934896918.db2.gz AHOFIINAOYRFQP-IEBWSBKVSA-N 1 0 398.555 3.908 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001122627569 934925907 /nfs/dbraw/zinc/92/59/07/934925907.db2.gz ZKFFVBVFBMDRBX-SJORKVTESA-N 1 0 381.515 3.925 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2CC[NH+](C3CCC3)CC2)n1Cc1cccs1 ZINC001122912475 935027209 /nfs/dbraw/zinc/02/72/09/935027209.db2.gz YYXOAEWYVUANTB-UHFFFAOYSA-N 1 0 398.580 3.644 20 30 GHEDRO Cn1cncc1C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001123408815 935185446 /nfs/dbraw/zinc/18/54/46/935185446.db2.gz YKESVSYHJUETIF-UHFFFAOYSA-N 1 0 377.370 3.722 20 30 GHEDRO Cc1ccc(F)c2oc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc21 ZINC001125052812 935516815 /nfs/dbraw/zinc/51/68/15/935516815.db2.gz KRETZVJELASYQQ-UHFFFAOYSA-N 1 0 379.435 3.956 20 30 GHEDRO N#Cc1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c(Br)c1 ZINC001137637876 935652974 /nfs/dbraw/zinc/65/29/74/935652974.db2.gz CCLVBVBZDAMGOP-OALUTQOASA-N 1 0 382.305 3.779 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CC[C@@H]3NC(=O)OC(C)(C)C)CC2)c(C#N)c1 ZINC001137706683 935736331 /nfs/dbraw/zinc/73/63/31/935736331.db2.gz MECWIJPGRGMQIJ-IBGZPJMESA-N 1 0 385.508 3.836 20 30 GHEDRO C[C@H](NC(=O)C(F)(F)c1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137854714 935827234 /nfs/dbraw/zinc/82/72/34/935827234.db2.gz DZDAUIOZUHANJG-LPHOPBHVSA-N 1 0 383.442 3.677 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC001137898569 935853790 /nfs/dbraw/zinc/85/37/90/935853790.db2.gz ZDPQNRNLZIUPAK-UHFFFAOYSA-N 1 0 390.531 3.623 20 30 GHEDRO COc1ccc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)cc1C#N ZINC000829826823 935869682 /nfs/dbraw/zinc/86/96/82/935869682.db2.gz YYDIXNDRXRDHLS-QGZVFWFLSA-N 1 0 380.366 3.679 20 30 GHEDRO COc1cccc([C@H](NC(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)c2ccccc2)c1 ZINC001220697542 1032070185 /nfs/dbraw/zinc/07/01/85/1032070185.db2.gz QQNKZGGGHZFIJZ-WIOPSUGQSA-N 1 0 399.494 3.733 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001184754099 1014969814 /nfs/dbraw/zinc/96/98/14/1014969814.db2.gz ZHVTVTQVIHJGTJ-UHFFFAOYSA-N 1 0 380.448 3.701 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(Cc2ccc(C#N)cc2)n1 ZINC000545006977 1015358693 /nfs/dbraw/zinc/35/86/93/1015358693.db2.gz FRMPEVDEIAHOIS-UHFFFAOYSA-N 1 0 376.460 3.920 20 30 GHEDRO COc1cc(C#N)cc(Br)c1OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000468403918 1015672782 /nfs/dbraw/zinc/67/27/82/1015672782.db2.gz SLCDPWYKIPUSQR-UHFFFAOYSA-N 1 0 393.256 3.979 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000468466147 1015729019 /nfs/dbraw/zinc/72/90/19/1015729019.db2.gz HDHPHTNAVVRZSC-IBGZPJMESA-N 1 0 381.476 3.580 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000545385749 1015830448 /nfs/dbraw/zinc/83/04/48/1015830448.db2.gz NWFCSCWRAMJIJM-UYAOXDASSA-N 1 0 389.565 3.558 20 30 GHEDRO Cc1cc(N2CCN(c3cccc(C#N)n3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000545465117 1015900968 /nfs/dbraw/zinc/90/09/68/1015900968.db2.gz NGLGVOQAACFPQB-UHFFFAOYSA-N 1 0 395.413 3.738 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000468985937 1016307940 /nfs/dbraw/zinc/30/79/40/1016307940.db2.gz NTRNBGAQBBMRPS-LJQANCHMSA-N 1 0 388.556 3.710 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@H](OCC(C)C)C2)c1C#N ZINC000469083691 1016440906 /nfs/dbraw/zinc/44/09/06/1016440906.db2.gz VVADTLZYVNRGHW-FQEVSTJZSA-N 1 0 394.519 3.651 20 30 GHEDRO N#CCCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc21 ZINC000469480552 1016576986 /nfs/dbraw/zinc/57/69/86/1016576986.db2.gz WFIWMRJCKMOFFN-LJQANCHMSA-N 1 0 378.520 3.939 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc(-c2ccc(F)cc2)c1 ZINC001220962774 1032211834 /nfs/dbraw/zinc/21/18/34/1032211834.db2.gz REFCMHPJQXBEPJ-RPWUZVMVSA-N 1 0 399.469 3.984 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2nc3ccccc3n2CC)C1 ZINC001221063376 1032263183 /nfs/dbraw/zinc/26/31/83/1032263183.db2.gz UMOYUQJZTLDORD-MOPGFXCFSA-N 1 0 397.567 3.605 20 30 GHEDRO CSc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C#N ZINC001221135091 1032301226 /nfs/dbraw/zinc/30/12/26/1032301226.db2.gz XVMFGDGOBJREJQ-UHFFFAOYSA-N 1 0 394.544 3.875 20 30 GHEDRO COC(=O)C1=C[C@@H](Oc2ccc(C#N)c(Cl)c2)C[N@H+](Cc2ccccc2)C1 ZINC001227208986 1032322750 /nfs/dbraw/zinc/32/27/50/1032322750.db2.gz NIWFQWPGIRZWNL-LJQANCHMSA-N 1 0 382.847 3.574 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC001221296788 1032366246 /nfs/dbraw/zinc/36/62/46/1032366246.db2.gz ANWFSRFEBYATLB-QHCPKHFHSA-N 1 0 390.531 3.873 20 30 GHEDRO COc1cccc2c1CC[C@H](CCCNC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1)C2 ZINC001221301065 1032368427 /nfs/dbraw/zinc/36/84/27/1032368427.db2.gz STQUIJMQXDWSOI-HTAPYJJXSA-N 1 0 391.515 3.658 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3sc4scc(C)c4c3C)C2)OCC1=O ZINC001277200759 1032380672 /nfs/dbraw/zinc/38/06/72/1032380672.db2.gz KOHCBSXUHVMRDK-FQEVSTJZSA-N 1 0 390.574 3.959 20 30 GHEDRO N#Cc1cc2ccc(O[C@@H]3CC[N@@H+](Cc4ccccc4Cl)C3)cc2oc1=O ZINC001227381952 1032397004 /nfs/dbraw/zinc/39/70/04/1032397004.db2.gz HCMFEPFXBSIDHZ-GOSISDBHSA-N 1 0 380.831 3.971 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(OC(C)C)c(Cl)c3)C2)C1=O ZINC001277207814 1032416237 /nfs/dbraw/zinc/41/62/37/1032416237.db2.gz QKMBUVCKBGJFSW-HXUWFJFHSA-N 1 0 380.891 3.877 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155124148 1032423760 /nfs/dbraw/zinc/42/37/60/1032423760.db2.gz SVPNOTAJWOOYSN-SFHVURJKSA-N 1 0 375.835 3.688 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)c(C)cc1Br ZINC001277215036 1032443952 /nfs/dbraw/zinc/44/39/52/1032443952.db2.gz OIJBCHKVOHUJCT-IAGOWNOFSA-N 1 0 393.325 3.605 20 30 GHEDRO N#Cc1cnc(N[C@@H]2COCCC23C[NH2+]C3)c2cc(-c3ccccc3)sc21 ZINC001155470391 1032554121 /nfs/dbraw/zinc/55/41/21/1032554121.db2.gz TXAGUBJQPVGQEL-GOSISDBHSA-N 1 0 376.485 3.625 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001155600875 1032594934 /nfs/dbraw/zinc/59/49/34/1032594934.db2.gz GVRKCGQWLJHZPF-RNODOKPDSA-N 1 0 388.874 3.778 20 30 GHEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155641853 1032617648 /nfs/dbraw/zinc/61/76/48/1032617648.db2.gz FRKQZKWNSOTSKX-GIWBLDEGSA-N 1 0 382.467 3.828 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC)c(OCC)c3)C2)C1 ZINC001204185064 1032637468 /nfs/dbraw/zinc/63/74/68/1032637468.db2.gz UNIZKRMTVIDAJS-QFIPXVFZSA-N 1 0 388.508 3.704 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000925673682 1017132836 /nfs/dbraw/zinc/13/28/36/1017132836.db2.gz OFMLFIHTMGPXHT-BRWVUGGUSA-N 1 0 379.545 3.851 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241335 1032684724 /nfs/dbraw/zinc/68/47/24/1032684724.db2.gz FJTQPYAKLBLCKA-HSZRJFAPSA-N 1 0 390.531 3.941 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000559005327 1017334770 /nfs/dbraw/zinc/33/47/70/1017334770.db2.gz YMZMJNNANCDSPD-LJQANCHMSA-N 1 0 382.556 3.798 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1(CO)CCC1 ZINC000559439931 1017445008 /nfs/dbraw/zinc/44/50/08/1017445008.db2.gz FFTOVHLXRNBIGP-IBGZPJMESA-N 1 0 389.565 3.604 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1C#N ZINC000560667136 1017687167 /nfs/dbraw/zinc/68/71/67/1017687167.db2.gz WXQDXWAPRJPSSD-SFHVURJKSA-N 1 0 383.517 3.757 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(Cl)c(OCC)c3F)CC2)C1=O ZINC001276454906 1032719827 /nfs/dbraw/zinc/71/98/27/1032719827.db2.gz YNJCDFJKTYSDPN-UHFFFAOYSA-N 1 0 380.891 3.878 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)cc1 ZINC001204300032 1032741596 /nfs/dbraw/zinc/74/15/96/1032741596.db2.gz JAQWOMZOXOCFQT-WXFUMESZSA-N 1 0 394.515 3.985 20 30 GHEDRO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562367659 1018125468 /nfs/dbraw/zinc/12/54/68/1018125468.db2.gz JNZIOZPJHQSPGD-ZFWWWQNUSA-N 1 0 395.528 3.678 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cc(Cl)cc(Cl)c1F ZINC000932566324 1018466777 /nfs/dbraw/zinc/46/67/77/1018466777.db2.gz BUYOTNAQAPRJLZ-YPMHNXCESA-N 1 0 375.271 3.854 20 30 GHEDRO N#CCCc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000932567269 1018467616 /nfs/dbraw/zinc/46/76/16/1018467616.db2.gz SVFBFHHXTMFGBP-JOCHJYFZSA-N 1 0 392.503 3.555 20 30 GHEDRO C=CC[C@@H](NC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccncc1 ZINC001228098053 1032778933 /nfs/dbraw/zinc/77/89/33/1032778933.db2.gz SIARHRIZYFNZGE-AKFKNWHVSA-N 1 0 390.531 3.862 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932943020 1018771876 /nfs/dbraw/zinc/77/18/76/1018771876.db2.gz JMQVBHUALAXCLI-GHMZBOCLSA-N 1 0 381.307 3.906 20 30 GHEDRO N#C[C@H]1CC[C@H](Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000564807171 1019114756 /nfs/dbraw/zinc/11/47/56/1019114756.db2.gz CEDSMRXEYRJBSG-SFTDATJTSA-N 1 0 375.520 3.550 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC000778589363 1019301055 /nfs/dbraw/zinc/30/10/55/1019301055.db2.gz ADUSHXKNACLSQA-UHFFFAOYSA-N 1 0 375.394 3.822 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cn(C(C)=O)c3ccccc13)C2 ZINC001204409280 1032835469 /nfs/dbraw/zinc/83/54/69/1032835469.db2.gz QNTBJEMOVCECCT-GOTSBHOMSA-N 1 0 382.504 3.875 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000569903930 1019535147 /nfs/dbraw/zinc/53/51/47/1019535147.db2.gz SPOZEWMBUIGXIQ-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000571222893 1019669066 /nfs/dbraw/zinc/66/90/66/1019669066.db2.gz MYNZRUIMWRJXIU-IEBWSBKVSA-N 1 0 387.405 3.908 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)c1 ZINC000576580748 1020036908 /nfs/dbraw/zinc/03/69/08/1020036908.db2.gz ARBZFYRTSZSWKT-KRWDZBQOSA-N 1 0 384.524 3.511 20 30 GHEDRO N#Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1Cl ZINC000579540886 1020419192 /nfs/dbraw/zinc/41/91/92/1020419192.db2.gz BWKAKHTWKJRUOF-ICSRJNTNSA-N 1 0 379.891 3.806 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccc5ccccc5n4)C3)CC2=O)c1 ZINC001204504476 1032936933 /nfs/dbraw/zinc/93/69/33/1032936933.db2.gz PRKNFCLUGDZFKZ-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCC(C)(C#N)CC2)c1=S ZINC000779878286 1020972348 /nfs/dbraw/zinc/97/23/48/1020972348.db2.gz FKZLWNLZHBFKSJ-INIZCTEOSA-N 1 0 378.590 3.810 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2COc3ccccc32)cc1 ZINC000247189158 1021080108 /nfs/dbraw/zinc/08/01/08/1021080108.db2.gz YHJKQHAGILLLTA-LVCYWYKZSA-N 1 0 377.488 3.785 20 30 GHEDRO COCCOc1ncccc1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303911456 1021148073 /nfs/dbraw/zinc/14/80/73/1021148073.db2.gz ZPXDESODJFTLPC-LBPRGKRZSA-N 1 0 397.306 3.579 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(F)ccc1Br)C2 ZINC001204541275 1032960087 /nfs/dbraw/zinc/96/00/87/1032960087.db2.gz HTYJWHKFLOFJKF-AEFFLSMTSA-N 1 0 384.289 3.914 20 30 GHEDRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000800989215 1021353276 /nfs/dbraw/zinc/35/32/76/1021353276.db2.gz ASPAPQFPJUVBHG-WMLDXEAASA-N 1 0 393.915 3.716 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1Cl ZINC000801580053 1021416403 /nfs/dbraw/zinc/41/64/03/1021416403.db2.gz WVRREWDHIHBVGT-JOCHJYFZSA-N 1 0 397.906 3.566 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140399677 1021565408 /nfs/dbraw/zinc/56/54/08/1021565408.db2.gz MGXQVVKVVBKDEX-JTHBVZDNSA-N 1 0 397.494 3.856 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000834892211 1021633520 /nfs/dbraw/zinc/63/35/20/1021633520.db2.gz QPOYTFFOVBYBLY-HXUWFJFHSA-N 1 0 378.472 3.842 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000834904383 1021656203 /nfs/dbraw/zinc/65/62/03/1021656203.db2.gz PCVOAOAAHYPEQR-UYAOXDASSA-N 1 0 385.508 3.551 20 30 GHEDRO c1cnn(-c2ccc(N=NC3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)nn2)c1 ZINC000834940183 1021708750 /nfs/dbraw/zinc/70/87/50/1021708750.db2.gz GYZPZUCJJPYISV-AZUAARDMSA-N 1 0 387.491 3.505 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C2)C1 ZINC001140440417 1021714352 /nfs/dbraw/zinc/71/43/52/1021714352.db2.gz CFDRCEHWOYRWRE-QHCPKHFHSA-N 1 0 394.519 3.824 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@H]21 ZINC001140441246 1021715698 /nfs/dbraw/zinc/71/56/98/1021715698.db2.gz LZMYRBMMDWTEPR-LAUBAEHRSA-N 1 0 394.519 3.822 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001140441240 1021716510 /nfs/dbraw/zinc/71/65/10/1021716510.db2.gz LYRHWYUDORDCJC-UZLBHIALSA-N 1 0 381.476 3.907 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)cc1 ZINC001228656031 1033032348 /nfs/dbraw/zinc/03/23/48/1033032348.db2.gz RQGMBCXXNDQGLI-ZCNNSNEGSA-N 1 0 375.516 3.861 20 30 GHEDRO COc1nccc(C[N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC001140703606 1022325989 /nfs/dbraw/zinc/32/59/89/1022325989.db2.gz YGESKQHCGADFHV-OAQYLSRUSA-N 1 0 384.483 3.817 20 30 GHEDRO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140754910 1022440690 /nfs/dbraw/zinc/44/06/90/1022440690.db2.gz NZPRLJQFJNJAOT-CQSZACIVSA-N 1 0 379.451 3.915 20 30 GHEDRO CCCCNC(=O)C1([NH2+]Cc2cc(Cl)ccc2OCC#N)CCCCC1 ZINC000754667648 1022822050 /nfs/dbraw/zinc/82/20/50/1022822050.db2.gz FGLMRAIJRHQEJD-UHFFFAOYSA-N 1 0 377.916 3.951 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(O)c(OC)c1 ZINC000754720143 1022855900 /nfs/dbraw/zinc/85/59/00/1022855900.db2.gz KSPWENANZXUBSP-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO C[N@H+](CCCCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000836318888 1022867112 /nfs/dbraw/zinc/86/71/12/1022867112.db2.gz OCVDWXLCAJOHIS-UHFFFAOYSA-N 1 0 382.533 3.960 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c(OC)c1 ZINC000754740007 1022872778 /nfs/dbraw/zinc/87/27/78/1022872778.db2.gz FMILIFFNBCFZHB-MAUKXSAKSA-N 1 0 390.524 3.864 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC000754868059 1022940025 /nfs/dbraw/zinc/94/00/25/1022940025.db2.gz HGYKCJNBHTWBLZ-SFHVURJKSA-N 1 0 399.535 3.826 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000836496509 1023033848 /nfs/dbraw/zinc/03/38/48/1023033848.db2.gz DQDXCHOPHMYWRN-CQSZACIVSA-N 1 0 398.429 3.858 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cccc(OC(F)F)c4)C3)CC2=O)c1 ZINC001204829493 1033111762 /nfs/dbraw/zinc/11/17/62/1033111762.db2.gz QZNHRDXHNLCVJN-JOCHJYFZSA-N 1 0 397.425 3.789 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(N(Cc3ccccc3)C3(C[NH3+])COC3)c12 ZINC001156635967 1033146201 /nfs/dbraw/zinc/14/62/01/1033146201.db2.gz NWBNRYMLESNRSD-UHFFFAOYSA-N 1 0 392.890 3.803 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]([NH3+])[C@@H](F)C3)c2)cc1 ZINC001204892267 1033147964 /nfs/dbraw/zinc/14/79/64/1033147964.db2.gz VQWAZNKZIZAXGN-ROUUACIJSA-N 1 0 390.256 3.594 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000756545841 1023708547 /nfs/dbraw/zinc/70/85/47/1023708547.db2.gz ANGYXAHRBKVJOF-ZDUSSCGKSA-N 1 0 380.922 3.708 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)cc(Cl)c3C#N)cc2)CC1 ZINC001156659447 1033162559 /nfs/dbraw/zinc/16/25/59/1033162559.db2.gz MGUMOJGEKXXFMV-UHFFFAOYSA-N 1 0 376.291 3.624 20 30 GHEDRO N#CC1(NC(=O)c2cccc3cnsc32)CC[NH+](Cc2ccccc2)CC1 ZINC001156670801 1033173144 /nfs/dbraw/zinc/17/31/44/1033173144.db2.gz KHJKPZQGHTUASY-UHFFFAOYSA-N 1 0 376.485 3.584 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccnc4ccc(OC)cc34)C2)C1 ZINC001141147288 1023968507 /nfs/dbraw/zinc/96/85/07/1023968507.db2.gz WYKDWESJBWFFRD-QHCPKHFHSA-N 1 0 395.503 3.854 20 30 GHEDRO CC(C)(C)Oc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1C#N ZINC001141268061 1024344491 /nfs/dbraw/zinc/34/44/91/1024344491.db2.gz SKEBNENMPJQYPH-UHFFFAOYSA-N 1 0 385.508 3.709 20 30 GHEDRO COC(=O)CCN(CCC[NH+](C)C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141293839 1024426475 /nfs/dbraw/zinc/42/64/75/1024426475.db2.gz LROOHONMUGQVHU-UHFFFAOYSA-N 1 0 395.503 3.667 20 30 GHEDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001461011360 1069334064 /nfs/dbraw/zinc/33/40/64/1069334064.db2.gz AXNRBRGUGKZZFJ-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO N#C[C@@]1(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCc2ccccc2C1 ZINC001138309662 1024614994 /nfs/dbraw/zinc/61/49/94/1024614994.db2.gz UWZNIYLFJJMEFC-ILBGXUMGSA-N 1 0 387.527 3.509 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(F)c(C#N)c(F)c3)c2)CC1 ZINC000831529859 1024623062 /nfs/dbraw/zinc/62/30/62/1024623062.db2.gz CIWMDAWVCIJZNA-UHFFFAOYSA-N 1 0 384.430 3.619 20 30 GHEDRO COc1cc2cccnc2c(N(c2nc(Cl)cnc2C#N)[C@H](C)CCC[NH3+])c1 ZINC001156751108 1033223693 /nfs/dbraw/zinc/22/36/93/1033223693.db2.gz ZHIYACKXPFOTKA-CYBMUJFWSA-N 1 0 396.882 3.824 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1OC ZINC001138346345 1024708966 /nfs/dbraw/zinc/70/89/66/1024708966.db2.gz AHRSHFHSFWQZTL-OAQYLSRUSA-N 1 0 376.456 3.622 20 30 GHEDRO Cc1ccc2[nH]c(C[N@@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)cc2c1 ZINC001138416014 1024804299 /nfs/dbraw/zinc/80/42/99/1024804299.db2.gz QIGSXHWQWVOSAA-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)nn(Cc3ccccc3)c1C)C2 ZINC001138503690 1024939059 /nfs/dbraw/zinc/93/90/59/1024939059.db2.gz CXOVPZXNXFYVMJ-ISKFKSNPSA-N 1 0 395.547 3.874 20 30 GHEDRO COCC[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000831857349 1024945102 /nfs/dbraw/zinc/94/51/02/1024945102.db2.gz KEETWWHRAJAZKB-RBUKOAKNSA-N 1 0 378.394 3.978 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000831873673 1024961588 /nfs/dbraw/zinc/96/15/88/1024961588.db2.gz ZMKYCYQZIUKRMK-VWLOTQADSA-N 1 0 388.511 3.827 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)cc1 ZINC001138558492 1025020397 /nfs/dbraw/zinc/02/03/97/1025020397.db2.gz XUXBQNGXJVEPEK-IRLDBZIGSA-N 1 0 383.495 3.871 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)cc1 ZINC001138559131 1025021262 /nfs/dbraw/zinc/02/12/62/1025021262.db2.gz DQWKIYVGXWMBBD-UHFFFAOYSA-N 1 0 394.540 3.888 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1O ZINC001138628058 1025129255 /nfs/dbraw/zinc/12/92/55/1025129255.db2.gz RZXWYJBXYMERTL-JOCHJYFZSA-N 1 0 394.515 3.856 20 30 GHEDRO N#CCCn1cc(C(=O)COC(=O)C2C[NH+](C3CCCCC3)C2)c2ccccc21 ZINC000838462624 1025152381 /nfs/dbraw/zinc/15/23/81/1025152381.db2.gz CHEZUVCUZMHTGU-UHFFFAOYSA-N 1 0 393.487 3.545 20 30 GHEDRO C=C(C)COc1ccccc1CN1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001138662092 1025182493 /nfs/dbraw/zinc/18/24/93/1025182493.db2.gz OMODLEUPWIFBLM-HXUWFJFHSA-N 1 0 396.535 3.779 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1C[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001138662031 1025183022 /nfs/dbraw/zinc/18/30/22/1025183022.db2.gz NGGSSIYDGDITOA-FGZHOGPDSA-N 1 0 376.500 3.846 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001138666608 1025188263 /nfs/dbraw/zinc/18/82/63/1025188263.db2.gz ZNPYOUOKKKQSRW-NRFANRHFSA-N 1 0 380.488 3.784 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000838622792 1025243077 /nfs/dbraw/zinc/24/30/77/1025243077.db2.gz NIBXZTISNOJTKA-UHFFFAOYSA-N 1 0 376.460 3.736 20 30 GHEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccccc2N2CCC(O)CC2)CC1 ZINC001138757991 1025313845 /nfs/dbraw/zinc/31/38/45/1025313845.db2.gz ZFHWJXOIHCAIDJ-UHFFFAOYSA-N 1 0 375.516 3.705 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(NCC3(c4cccnc4)CC[NH2+]CC3)nn2)cc1 ZINC001162033249 1025552098 /nfs/dbraw/zinc/55/20/98/1025552098.db2.gz OECVSTXMROBXKN-OAQYLSRUSA-N 1 0 398.514 3.569 20 30 GHEDRO COc1cc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)ncc1C#N ZINC001162053797 1025568013 /nfs/dbraw/zinc/56/80/13/1025568013.db2.gz DWQFGQOESKSANZ-UHFFFAOYSA-N 1 0 390.409 3.521 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)CCCc2cccnc2)cc1C ZINC000839146904 1025641724 /nfs/dbraw/zinc/64/17/24/1025641724.db2.gz ZRAOKCCATUMLNR-HXUWFJFHSA-N 1 0 378.520 3.946 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000839154325 1025656523 /nfs/dbraw/zinc/65/65/23/1025656523.db2.gz QBCDYLDXZPHEOI-JOCHJYFZSA-N 1 0 399.441 3.611 20 30 GHEDRO COC(=O)c1cccc(CN(c2nc(C)c(C)cc2C#N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162192971 1025659878 /nfs/dbraw/zinc/65/98/78/1025659878.db2.gz XCKDHFYCQFIBDR-MEMLXQNLSA-N 1 0 392.503 3.633 20 30 GHEDRO C#CCC(CC#C)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000832544700 1025689026 /nfs/dbraw/zinc/68/90/26/1025689026.db2.gz PXHXFIUVNMOYBJ-RUZDIDTESA-N 1 0 399.538 3.738 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001139028596 1025796317 /nfs/dbraw/zinc/79/63/17/1025796317.db2.gz YTTZIRQFJPYSJH-WZONZLPQSA-N 1 0 377.488 3.521 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCN(Cc3cccnc3)C2=O)CC1 ZINC001139028608 1025796628 /nfs/dbraw/zinc/79/66/28/1025796628.db2.gz ZAWHJCVWMKFPON-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)C(C)C)O2 ZINC001139031841 1025801083 /nfs/dbraw/zinc/80/10/83/1025801083.db2.gz DRTYUYOQGDVBBU-NZQKXSOJSA-N 1 0 386.536 3.537 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCc2nc(C(=O)NCC(C)C)sc2CC1 ZINC001139032245 1025804175 /nfs/dbraw/zinc/80/41/75/1025804175.db2.gz ICBBVFDBJGQKDP-UHFFFAOYSA-N 1 0 399.560 3.695 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001139032746 1025805525 /nfs/dbraw/zinc/80/55/25/1025805525.db2.gz UFTIHHJAIJVYAU-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1OC)CC2 ZINC001141607069 1025865072 /nfs/dbraw/zinc/86/50/72/1025865072.db2.gz BRYASLZTPGNDIK-UHFFFAOYSA-N 1 0 382.426 3.857 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139079431 1025890203 /nfs/dbraw/zinc/89/02/03/1025890203.db2.gz YFUDMJZERWPXNI-HSZRJFAPSA-N 1 0 392.503 3.802 20 30 GHEDRO N#Cc1ccc(Oc2nc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)ncc2F)cc1 ZINC001163212495 1026089723 /nfs/dbraw/zinc/08/97/23/1026089723.db2.gz WSQYKLKIYSNPFJ-MOPGFXCFSA-N 1 0 375.407 3.795 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1F ZINC001163274175 1026119241 /nfs/dbraw/zinc/11/92/41/1026119241.db2.gz DFJNYYKJJKSHRW-INIZCTEOSA-N 1 0 393.853 3.934 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001141657928 1026125750 /nfs/dbraw/zinc/12/57/50/1026125750.db2.gz KUWIFFCBUKXIAA-VQTJNVASSA-N 1 0 397.320 3.565 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000839637100 1026142348 /nfs/dbraw/zinc/14/23/48/1026142348.db2.gz DBDYODRKMLKXHG-LEWJYISDSA-N 1 0 399.535 3.843 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH+]3CCC(c4cccc(C#N)c4)CC3)cn2)C[C@@H](C)O1 ZINC001139381347 1026250317 /nfs/dbraw/zinc/25/03/17/1026250317.db2.gz PEKJBPIQHBYVIF-RTBURBONSA-N 1 0 390.531 3.946 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)c1ccccc1 ZINC001163652037 1026267448 /nfs/dbraw/zinc/26/74/48/1026267448.db2.gz ISEIVBFNYQKWOD-PKTZIBPZSA-N 1 0 390.531 3.678 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(CCN2Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402373 1026273450 /nfs/dbraw/zinc/27/34/50/1026273450.db2.gz PFAWXJNAVCPKRV-UHFFFAOYSA-N 1 0 390.487 3.815 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139403081 1026274921 /nfs/dbraw/zinc/27/49/21/1026274921.db2.gz HEJGYUJGCWCYSB-UPVQGACJSA-N 1 0 389.499 3.946 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)nc1 ZINC001139406827 1026280682 /nfs/dbraw/zinc/28/06/82/1026280682.db2.gz FYYJYZBYEALGBK-UHFFFAOYSA-N 1 0 394.482 3.599 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)cc1F ZINC001139528353 1026385839 /nfs/dbraw/zinc/38/58/39/1026385839.db2.gz OGXSKUASDCITFU-HSZRJFAPSA-N 1 0 397.469 3.955 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1F ZINC001139528000 1026386740 /nfs/dbraw/zinc/38/67/40/1026386740.db2.gz KCNIRPRNRIFNFR-GOTSBHOMSA-N 1 0 395.478 3.680 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2c2ccccc2)C1=O ZINC001139528944 1026387922 /nfs/dbraw/zinc/38/79/22/1026387922.db2.gz ZEJMFWNMPBBOIZ-OFNKIYASSA-N 1 0 377.463 3.535 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(-c3ccccc3)[nH]1)[C@H]2CC ZINC001139554390 1026424155 /nfs/dbraw/zinc/42/41/55/1026424155.db2.gz JKLRXYDMHBIWQW-REWPJTCUSA-N 1 0 378.520 3.998 20 30 GHEDRO COc1cccc(C[NH+]2CCC(Nc3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC001164190588 1026445087 /nfs/dbraw/zinc/44/50/87/1026445087.db2.gz GCJLVOQPTLWQAL-UHFFFAOYSA-N 1 0 384.411 3.691 20 30 GHEDRO N#Cc1cnc(N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164343013 1026491872 /nfs/dbraw/zinc/49/18/72/1026491872.db2.gz XBASGAXUNGPWTA-QYZOEREBSA-N 1 0 377.448 3.574 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)c[nH]c21 ZINC001139705749 1026550811 /nfs/dbraw/zinc/55/08/11/1026550811.db2.gz YVTPHSHKHFVPLR-SFHVURJKSA-N 1 0 390.531 3.948 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]12 ZINC001139705530 1026550829 /nfs/dbraw/zinc/55/08/29/1026550829.db2.gz UHTVBNDUCKEMRI-ILBGXUMGSA-N 1 0 398.510 3.804 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)c[nH]c21 ZINC001139705748 1026551310 /nfs/dbraw/zinc/55/13/10/1026551310.db2.gz YVTPHSHKHFVPLR-GOSISDBHSA-N 1 0 390.531 3.948 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)cc1C#N ZINC001139724248 1026566898 /nfs/dbraw/zinc/56/68/98/1026566898.db2.gz JWCWLFMDLPNCBM-XZOQPEGZSA-N 1 0 377.488 3.602 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCOCC3)C2)cc1C#N ZINC001139725297 1026568747 /nfs/dbraw/zinc/56/87/47/1026568747.db2.gz KCUCEOLOUYGEBE-ZEQRLZLVSA-N 1 0 398.547 3.681 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165083748 1026595372 /nfs/dbraw/zinc/59/53/72/1026595372.db2.gz HSXSXKSZARQOAS-MAUKXSAKSA-N 1 0 388.849 3.862 20 30 GHEDRO CN(CC#N)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001165092153 1026601248 /nfs/dbraw/zinc/60/12/48/1026601248.db2.gz UHBMBEDJWHASQL-UHFFFAOYSA-N 1 0 382.895 3.716 20 30 GHEDRO COCCC[NH+]1CCN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)CC1 ZINC001165096951 1026604557 /nfs/dbraw/zinc/60/45/57/1026604557.db2.gz GAXIGHZCJPEZKN-UHFFFAOYSA-N 1 0 379.291 3.572 20 30 GHEDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2nc(-c3cccs3)ccc2C#N)CC1 ZINC001165114050 1026614521 /nfs/dbraw/zinc/61/45/21/1026614521.db2.gz ZSLDMZGXRVEEGV-GOSISDBHSA-N 1 0 382.533 3.761 20 30 GHEDRO C[NH+](C)C1(C)CN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)C1 ZINC001165121066 1026616231 /nfs/dbraw/zinc/61/62/31/1026616231.db2.gz FMBKKSZUFJMKRF-UHFFFAOYSA-N 1 0 376.838 3.959 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001139869983 1026684550 /nfs/dbraw/zinc/68/45/50/1026684550.db2.gz VKAFVWIAKUDNMY-HXUWFJFHSA-N 1 0 395.950 3.972 20 30 GHEDRO Cc1ccc(CC#N)c(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165478817 1026740756 /nfs/dbraw/zinc/74/07/56/1026740756.db2.gz IXSJBPNQKOOETO-IRLDBZIGSA-N 1 0 380.467 3.644 20 30 GHEDRO C=CCOc1cc(C)nc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165479326 1026741836 /nfs/dbraw/zinc/74/18/36/1026741836.db2.gz WNORUYCBMNLSBF-UGKGYDQZSA-N 1 0 398.482 3.538 20 30 GHEDRO Cc1nc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1CC#N ZINC001165481521 1026743470 /nfs/dbraw/zinc/74/34/70/1026743470.db2.gz QGOXJXWDMHKGAP-RBBKRZOGSA-N 1 0 380.467 3.644 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC[C@]3(C[C@@H](c4ccccc4)CO3)C1)C[NH2+]CCC2 ZINC001165725181 1026809340 /nfs/dbraw/zinc/80/93/40/1026809340.db2.gz SOUXWBIQXBDKDH-DVECYGJZSA-N 1 0 388.515 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[NH+]2CCC(S)CC2)CC1 ZINC001140071811 1026852070 /nfs/dbraw/zinc/85/20/70/1026852070.db2.gz ANJNWURLXRBXSK-UHFFFAOYSA-N 1 0 391.581 3.638 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(C[C@H](Oc5cccnc5)CO4)CC3)c2c1 ZINC001140112107 1026893385 /nfs/dbraw/zinc/89/33/85/1026893385.db2.gz IEVIFYRIIQQUIO-FQEVSTJZSA-N 1 0 388.471 3.637 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)c2c1 ZINC001140113620 1026894488 /nfs/dbraw/zinc/89/44/88/1026894488.db2.gz AOHBPDOHOSAQSM-LJQANCHMSA-N 1 0 390.531 3.948 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](NC(=O)c4ccccc4F)C3)c2c1 ZINC001140116579 1026898720 /nfs/dbraw/zinc/89/87/20/1026898720.db2.gz BKGYZYKHIKEROH-QGZVFWFLSA-N 1 0 376.435 3.573 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)c(F)c1 ZINC001140136846 1026910198 /nfs/dbraw/zinc/91/01/98/1026910198.db2.gz PRKKAWLYWQTFEG-NRFANRHFSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)c(F)c1 ZINC001140137744 1026911573 /nfs/dbraw/zinc/91/15/73/1026911573.db2.gz WBVHTYHNSSPFJO-UNMCSNQZSA-N 1 0 399.441 3.682 20 30 GHEDRO N#Cc1ccc(CC2CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC2)cc1 ZINC001166767228 1027077839 /nfs/dbraw/zinc/07/78/39/1027077839.db2.gz WKHOYEDAHOBBNK-UHFFFAOYSA-N 1 0 395.938 3.928 20 30 GHEDRO N#Cc1cnc(-n2c(=N)sc3c2CC[NH2+]C3)c2cc(-c3ccccc3)sc21 ZINC001166860868 1027116740 /nfs/dbraw/zinc/11/67/40/1027116740.db2.gz UMTZJKAVEUEKCL-UHFFFAOYSA-N 1 0 389.509 3.812 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc(OC)c1O ZINC001203180896 1027224303 /nfs/dbraw/zinc/22/43/03/1027224303.db2.gz HPBQAAVDXWNGRN-NHCUHLMSSA-N 1 0 394.515 3.960 20 30 GHEDRO COCCCOc1cccc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c1 ZINC001203314547 1027269788 /nfs/dbraw/zinc/26/97/88/1027269788.db2.gz RFRCPLRDRKYYQO-UHFFFAOYSA-N 1 0 379.504 3.732 20 30 GHEDRO C=CCn1c(-c2cnccn2)nn(CN(C)[C@@H](C)Cc2cccc(F)c2)c1=S ZINC000840166178 1027300599 /nfs/dbraw/zinc/30/05/99/1027300599.db2.gz HKZNCTLGRMFYQG-HNNXBMFYSA-N 1 0 398.511 3.717 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(OCCn3ccnc3)c(Cl)c1)C2 ZINC001203446759 1027346030 /nfs/dbraw/zinc/34/60/30/1027346030.db2.gz IRWMTTXTJNXKMS-FQEVSTJZSA-N 1 0 392.890 3.744 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC001141858112 1027463198 /nfs/dbraw/zinc/46/31/98/1027463198.db2.gz ZZWZBYDGRPXCOZ-GOSISDBHSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2F)c1 ZINC001203689423 1027534623 /nfs/dbraw/zinc/53/46/23/1027534623.db2.gz HHWLWYREERZONT-JOCHJYFZSA-N 1 0 390.458 3.970 20 30 GHEDRO N#Cc1cccc(CN2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001203762113 1027584199 /nfs/dbraw/zinc/58/41/99/1027584199.db2.gz LAKBJTUCQKVWPS-OAQYLSRUSA-N 1 0 382.458 3.687 20 30 GHEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001203762603 1027585564 /nfs/dbraw/zinc/58/55/64/1027585564.db2.gz LRTWHFFWDYFVAZ-OAHLLOKOSA-N 1 0 399.516 3.954 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cc1OC ZINC001203841234 1027649114 /nfs/dbraw/zinc/64/91/14/1027649114.db2.gz BFTMEAAWQRFJOK-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(c3nc4ccc(Br)cn4n3)CC2)cc1 ZINC001203900099 1027692834 /nfs/dbraw/zinc/69/28/34/1027692834.db2.gz RQOPEUXIRZPUOM-UHFFFAOYSA-N 1 0 396.292 3.743 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc1 ZINC001203902409 1027694888 /nfs/dbraw/zinc/69/48/88/1027694888.db2.gz FDLSMWJFNZYVBH-UHFFFAOYSA-N 1 0 379.479 3.564 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)cc1 ZINC001203903718 1027696474 /nfs/dbraw/zinc/69/64/74/1027696474.db2.gz MPUJJKMDNUKTBG-UNMCSNQZSA-N 1 0 381.451 3.542 20 30 GHEDRO CCOc1ccc(O)c(/C=N\C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000840708230 1027747788 /nfs/dbraw/zinc/74/77/88/1027747788.db2.gz DPRUXNPTAASQCN-IWIPYMOSSA-N 1 0 395.503 3.833 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)cc1 ZINC001203967513 1027765419 /nfs/dbraw/zinc/76/54/19/1027765419.db2.gz CSPMGZNDOBPVLU-FQEVSTJZSA-N 1 0 388.305 3.849 20 30 GHEDRO C#CC1CC[NH+](Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 ZINC001141970611 1027774833 /nfs/dbraw/zinc/77/48/33/1027774833.db2.gz IYSGASALKWKUIF-UHFFFAOYSA-N 1 0 378.497 3.724 20 30 GHEDRO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(CCN(CCC(F)(F)F)C2=O)C1 ZINC001276437304 1027835555 /nfs/dbraw/zinc/83/55/55/1027835555.db2.gz ONSVTSPPCGODGV-KRWDZBQOSA-N 1 0 385.817 3.588 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(Cc1c(C)nn(C(C)(C)C)c1C)CCO2 ZINC001142171560 1028294726 /nfs/dbraw/zinc/29/47/26/1028294726.db2.gz GERYPSLTOBWPSQ-DENIHFKCSA-N 1 0 375.557 3.829 20 30 GHEDRO Cc1nc(SC2CCCC2)sc1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000841382579 1028541046 /nfs/dbraw/zinc/54/10/46/1028541046.db2.gz DMOMKWZSZFMOLG-UHFFFAOYSA-N 1 0 394.610 3.723 20 30 GHEDRO N#CCOc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001214681971 1028857132 /nfs/dbraw/zinc/85/71/32/1028857132.db2.gz GKWFSOWRULTHRV-UXHICEINSA-N 1 0 390.487 3.575 20 30 GHEDRO C=CCc1cc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)cc(OC)c1O ZINC001461453075 1069556844 /nfs/dbraw/zinc/55/68/44/1069556844.db2.gz ITAZXAVCBJSQCT-UHFFFAOYSA-N 1 0 396.409 3.798 20 30 GHEDRO CCCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CC[NH2+]CC1 ZINC000841830016 1028971743 /nfs/dbraw/zinc/97/17/43/1028971743.db2.gz COSLBNDZHGUWMW-UHFFFAOYSA-N 1 0 382.533 3.960 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(-c3cccnc3O[C@@H]3CC[NH2+]C3)n2)c(C#N)c1 ZINC001215012893 1028995481 /nfs/dbraw/zinc/99/54/81/1028995481.db2.gz ZTAFSNWWRLPKSO-MRXNPFEDSA-N 1 0 389.459 3.708 20 30 GHEDRO CC[NH+]1CCN(Cc2ccccc2-c2nc(-c3cc(C#N)ccc3F)no2)CC1 ZINC001216453265 1029644034 /nfs/dbraw/zinc/64/40/34/1029644034.db2.gz MFANHEBIKFWWFH-UHFFFAOYSA-N 1 0 391.450 3.552 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001142911852 1029677786 /nfs/dbraw/zinc/67/77/86/1029677786.db2.gz LWJNZWNSXFDTJP-JOCHJYFZSA-N 1 0 378.476 3.650 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4c[nH]c5cc(C#N)ccc45)C3)C2=O)c1 ZINC001142917057 1029690353 /nfs/dbraw/zinc/69/03/53/1029690353.db2.gz QNOADXNFTWXIED-VWLOTQADSA-N 1 0 398.510 3.973 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)c[nH]c2c1 ZINC001142928756 1029709402 /nfs/dbraw/zinc/70/94/02/1029709402.db2.gz JRPIBZKKCLZNHQ-IBGZPJMESA-N 1 0 390.531 3.948 20 30 GHEDRO N#Cc1ccc2c(CN3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c[nH]c2c1 ZINC001142929108 1029710471 /nfs/dbraw/zinc/71/04/71/1029710471.db2.gz VWJNOUYXZYEDJH-TZIWHRDSSA-N 1 0 390.462 3.516 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC(n4cc(Br)cn4)CC3)c[nH]c2c1 ZINC001142930656 1029712631 /nfs/dbraw/zinc/71/26/31/1029712631.db2.gz LWPYBROBAQKMDR-UHFFFAOYSA-N 1 0 384.281 3.836 20 30 GHEDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)c1 ZINC001142938359 1029718942 /nfs/dbraw/zinc/71/89/42/1029718942.db2.gz LPXMDYRUKKIUIR-XMMPIXPASA-N 1 0 389.499 3.813 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001216743604 1029915196 /nfs/dbraw/zinc/91/51/96/1029915196.db2.gz DSKQLBHKZYKVPJ-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO C[C@H]1CN(Cc2cc(F)cc(OC(F)(F)F)c2)CC[C@@]1(O)C(F)(F)F ZINC001143256686 1029952118 /nfs/dbraw/zinc/95/21/18/1029952118.db2.gz RBATZQNSYFEVFS-ZANVPECISA-N 1 0 375.284 3.860 20 30 GHEDRO C=CCOc1ccc(C[N@H+](Cc2cnc3c(C#N)cnn3c2)C(C)(C)C)cc1 ZINC000843390936 1029958873 /nfs/dbraw/zinc/95/88/73/1029958873.db2.gz KMYDATRDGBYYTD-UHFFFAOYSA-N 1 0 375.476 3.966 20 30 GHEDRO Cc1nc2ncccc2cc1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001149562806 1030224754 /nfs/dbraw/zinc/22/47/54/1030224754.db2.gz YXHSGILPJSQUDB-MEMLXQNLSA-N 1 0 399.498 3.722 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)c(OC)cc3F)CC2)C1=O ZINC001276755944 1030417674 /nfs/dbraw/zinc/41/76/74/1030417674.db2.gz CRAFDUZKYQEVHA-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC001217673187 1030592395 /nfs/dbraw/zinc/59/23/95/1030592395.db2.gz IXNABSCMLITHFI-UHFFFAOYSA-N 1 0 395.260 3.726 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217949951 1030682862 /nfs/dbraw/zinc/68/28/62/1030682862.db2.gz MUUMNPLPNQXQNR-PMACEKPBSA-N 1 0 393.462 3.583 20 30 GHEDRO COc1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001217986823 1030706874 /nfs/dbraw/zinc/70/68/74/1030706874.db2.gz VLXIIMIQOFXSJH-DEPQTLMVSA-N 1 0 385.435 3.766 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H](C)C2CC[NH2+]CC2)c1 ZINC001218003967 1030716032 /nfs/dbraw/zinc/71/60/32/1030716032.db2.gz AJXQMYIJIDZDBL-MIOHMZDASA-N 1 0 397.471 3.769 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3CC[NH2+]CC[C@@H]3F)c3ccccc23)ccc1F ZINC001218016889 1030725072 /nfs/dbraw/zinc/72/50/72/1030725072.db2.gz HIKJKYGBGDJBQB-FPOVZHCZSA-N 1 0 394.425 3.700 20 30 GHEDRO C=CCc1c(O[C@@H]2CC[NH2+]CC[C@H]2C)c2cccnc2n(-c2ccccc2)c1=O ZINC001218034874 1030735985 /nfs/dbraw/zinc/73/59/85/1030735985.db2.gz SKBVQYIRAXIFQZ-DYESRHJHSA-N 1 0 389.499 3.881 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@H]3CC[NH2+]C[C@H]3F)cc2)C=C1 ZINC001218067803 1030752813 /nfs/dbraw/zinc/75/28/13/1030752813.db2.gz UIUBVLXUYWZWCA-PKTZIBPZSA-N 1 0 391.442 3.968 20 30 GHEDRO C=CCc1ccc(O[C@H]2C[C@H]3C[NH2+]CCN3C2)c(-c2ccc(O)c(CC=C)c2)c1 ZINC001218072989 1030758242 /nfs/dbraw/zinc/75/82/42/1030758242.db2.gz URRXYHHVGQJXKP-VXKWHMMOSA-N 1 0 390.527 3.941 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218088648 1030765013 /nfs/dbraw/zinc/76/50/13/1030765013.db2.gz BLMVORFQWQOJNI-IYGVIKBUSA-N 1 0 393.439 3.625 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218115488 1030779679 /nfs/dbraw/zinc/77/96/79/1030779679.db2.gz GYBGBIXGFZKFLL-KPNAKWIJSA-N 1 0 391.515 3.841 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@]23CC[NH2+]C3)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218117038 1030782134 /nfs/dbraw/zinc/78/21/34/1030782134.db2.gz BHWWVAXHTBENMC-NDOSEIJPSA-N 1 0 395.455 3.523 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@]23CC[NH2+]C3)c1C(=O)/C=C/c1ccccc1 ZINC001218120531 1030782865 /nfs/dbraw/zinc/78/28/65/1030782865.db2.gz UFWCRBVGVHAHKJ-KVWXWEJBSA-N 1 0 379.456 3.818 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001218126590 1030786901 /nfs/dbraw/zinc/78/69/01/1030786901.db2.gz BZOMCQVVUGOOEL-CZTZKLFOSA-N 1 0 384.520 3.939 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c(OC)c1 ZINC001218144670 1030795656 /nfs/dbraw/zinc/79/56/56/1030795656.db2.gz YLQHPRYFMHGMRU-FKUAJXKPSA-N 1 0 385.504 3.946 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@H]1CC[C@@H]2[NH2+]CCO[C@H]21 ZINC001218149065 1030799289 /nfs/dbraw/zinc/79/92/89/1030799289.db2.gz BZOMCQVVUGOOEL-RCZSKKKRSA-N 1 0 384.520 3.939 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1c(Br)c(C(F)(F)F)nc2ccccc21 ZINC001218199760 1030821346 /nfs/dbraw/zinc/82/13/46/1030821346.db2.gz HIHFQBYLWUCNIL-LDYMZIIASA-N 1 0 386.171 3.506 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(Cl)cc(I)cc1Cl ZINC001218208205 1030830694 /nfs/dbraw/zinc/83/06/94/1030830694.db2.gz YEDKHCXDURZEJU-LLVKDONJSA-N 1 0 384.044 3.895 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[C@H](C)[NH2+]C3)c(C#N)c2)nc1C ZINC001218399607 1030919714 /nfs/dbraw/zinc/91/97/14/1030919714.db2.gz BJUJADBVDMLBFI-BLLLJJGKSA-N 1 0 385.489 3.686 20 30 GHEDRO COc1cc(O[C@@H]2C[NH2+]CCC23CC3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218407052 1030925256 /nfs/dbraw/zinc/92/52/56/1030925256.db2.gz SMRMIAACZBHAOX-FSNDINTDSA-N 1 0 379.456 3.818 20 30 GHEDRO C=CCc1c(O[C@H]2CC[C@@H](C)[NH2+]C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218408023 1030926512 /nfs/dbraw/zinc/92/65/12/1030926512.db2.gz OTKPFTKRCDWSTE-AEFFLSMTSA-N 1 0 375.472 3.634 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cc(Cl)c(OCC)c(Cl)c3)CC2)C1=O ZINC001276961166 1030956122 /nfs/dbraw/zinc/95/61/22/1030956122.db2.gz ZRWAHSQVDBHGLX-UHFFFAOYSA-N 1 0 395.330 3.840 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c1 ZINC001218494441 1030961810 /nfs/dbraw/zinc/96/18/10/1030961810.db2.gz SFPCSZFYVVDXPG-NYSBEXSLSA-N 1 0 377.440 3.528 20 30 GHEDRO N#Cc1ccc(NC(=O)C2(CC3CCC3)CC[NH2+]CC2)c(OC(F)(F)F)c1 ZINC001218839661 1031107031 /nfs/dbraw/zinc/10/70/31/1031107031.db2.gz CQNSWGPINLSVEU-UHFFFAOYSA-N 1 0 381.398 3.955 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c(-c2ccncc2)n1 ZINC001461736547 1069713226 /nfs/dbraw/zinc/71/32/26/1069713226.db2.gz VYTHGFLKQFFJSK-WOJBJXKFSA-N 1 0 393.441 3.997 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001218952857 1031172478 /nfs/dbraw/zinc/17/24/78/1031172478.db2.gz DCTYHPBPCCJETI-AWEZNQCLSA-N 1 0 386.377 3.957 20 30 GHEDRO CCc1cc(NC(=O)[C@H]2Oc3ccccc3C23CC[NH2+]CC3)cc(CC)c1C#N ZINC001219112875 1031257710 /nfs/dbraw/zinc/25/77/10/1031257710.db2.gz YKAVUWVFUQKMKO-JOCHJYFZSA-N 1 0 389.499 3.704 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OC)c2)C1 ZINC001219356873 1031373885 /nfs/dbraw/zinc/37/38/85/1031373885.db2.gz IFARTVLRZIAUCA-NRFANRHFSA-N 1 0 382.485 3.871 20 30 GHEDRO C#Cc1ccc(NC(=O)[C@@H](c2cc3ccccc3o2)N2CCC[NH2+]CC2)cc1F ZINC001219383723 1031388084 /nfs/dbraw/zinc/38/80/84/1031388084.db2.gz ARQKIVKYUOGIDB-JOCHJYFZSA-N 1 0 391.446 3.528 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001219482853 1031450176 /nfs/dbraw/zinc/45/01/76/1031450176.db2.gz KVWXJICZEMNKOM-SFHVURJKSA-N 1 0 386.955 3.783 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219483583 1031450225 /nfs/dbraw/zinc/45/02/25/1031450225.db2.gz ZYFONVFPWQSUHY-SFHVURJKSA-N 1 0 390.987 3.666 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1cc(F)cc(C#N)c1 ZINC001219799629 1031626511 /nfs/dbraw/zinc/62/65/11/1031626511.db2.gz YWUGHLGMRCNWNR-HOTGVXAUSA-N 1 0 380.467 3.975 20 30 GHEDRO C#CCN(C(=O)NC[C@H](C)c1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC001225893363 1031679394 /nfs/dbraw/zinc/67/93/94/1031679394.db2.gz YRKFTWKEHPDAKL-AWEZNQCLSA-N 1 0 382.335 3.836 20 30 GHEDRO CC(CNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N)(c1ccccc1)c1ccccc1 ZINC001219991522 1031732607 /nfs/dbraw/zinc/73/26/07/1031732607.db2.gz CCHRDDBIWOWWDN-QHCPKHFHSA-N 1 0 383.495 3.550 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)cccc3SC)CC2)C1=O ZINC001277108980 1031859573 /nfs/dbraw/zinc/85/95/73/1031859573.db2.gz YACCTWHCWFDWIH-HXUWFJFHSA-N 1 0 376.953 3.900 20 30 GHEDRO N#Cc1cccc(C[C@H]([NH3+])C(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC001220248294 1031860297 /nfs/dbraw/zinc/86/02/97/1031860297.db2.gz PMKROLYPVRUGJZ-DEOSSOPVSA-N 1 0 383.495 3.766 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001220600200 1032004608 /nfs/dbraw/zinc/00/46/08/1032004608.db2.gz CZRGTXYSRVTWID-JTHBVZDNSA-N 1 0 398.595 3.601 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000134216018 1032033802 /nfs/dbraw/zinc/03/38/02/1032033802.db2.gz BBFYEDUGBSOAEM-IBGZPJMESA-O 1 0 397.564 3.942 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001220663568 1032049814 /nfs/dbraw/zinc/04/98/14/1032049814.db2.gz IJRLUPHDJWSBBQ-VGOFRKELSA-N 1 0 392.499 3.779 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001220663567 1032050564 /nfs/dbraw/zinc/05/05/64/1032050564.db2.gz IJRLUPHDJWSBBQ-JTSKRJEESA-N 1 0 392.499 3.779 20 30 GHEDRO N#Cc1ccc2c(c1)n[nH]c2C(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001156890371 1033304659 /nfs/dbraw/zinc/30/46/59/1033304659.db2.gz WRRFYCSCMQAPFN-KLXIGZAZSA-N 1 0 399.498 3.703 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc(C3CN([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC001205252732 1033326223 /nfs/dbraw/zinc/32/62/23/1033326223.db2.gz YSHYJILOHOBOBJ-LJQANCHMSA-N 1 0 384.524 3.847 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)ccc1F ZINC001205472691 1033428160 /nfs/dbraw/zinc/42/81/60/1033428160.db2.gz HFWYRULKRQRFOF-HSZRJFAPSA-N 1 0 375.447 3.598 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)C1 ZINC001229380350 1033449193 /nfs/dbraw/zinc/44/91/93/1033449193.db2.gz LTUVFRMKBIANCK-RRDVOGGWSA-N 1 0 379.504 3.792 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cccc(Br)c3Cl)C2)C1=O ZINC001277391905 1033513038 /nfs/dbraw/zinc/51/30/38/1033513038.db2.gz PMRMVXWGGSXHIA-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001157467634 1033605469 /nfs/dbraw/zinc/60/54/69/1033605469.db2.gz HNOXGSMUXIBVID-HNNXBMFYSA-N 1 0 375.250 3.917 20 30 GHEDRO CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)N4C)c2C1 ZINC001229648033 1033615251 /nfs/dbraw/zinc/61/52/51/1033615251.db2.gz PZFWETQINGNHNO-QBHJEPNRSA-N 1 0 384.564 3.657 20 30 GHEDRO CCC[NH+]1C[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]2C1 ZINC001157700362 1033728797 /nfs/dbraw/zinc/72/87/97/1033728797.db2.gz QMYIOOKBMISKRI-SFTDATJTSA-N 1 0 376.504 3.505 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC001206135764 1033735348 /nfs/dbraw/zinc/73/53/48/1033735348.db2.gz AMWSFIBCBATQQK-UHFFFAOYSA-N 1 0 377.901 3.700 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C#N)c2)[NH+]2CCCC2)cc1 ZINC001206298476 1033786805 /nfs/dbraw/zinc/78/68/05/1033786805.db2.gz VAYPNFKTXOVSDF-NRFANRHFSA-N 1 0 378.476 3.834 20 30 GHEDRO COc1ccccc1C1(Cc2nc(-c3ccc(C#N)c(C)c3)no2)CC[NH2+]CC1 ZINC001206384680 1033822755 /nfs/dbraw/zinc/82/27/55/1033822755.db2.gz LGBWELRSPLEPCU-UHFFFAOYSA-N 1 0 388.471 3.789 20 30 GHEDRO N#Cc1cc(-c2ccc3cnn([C@H]4CCCCO4)c3c2)ccc1N1CC[NH2+]CC1 ZINC001206655728 1033935268 /nfs/dbraw/zinc/93/52/68/1033935268.db2.gz MWTXZPYCMVMBDC-HSZRJFAPSA-N 1 0 387.487 3.684 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001230199947 1033941737 /nfs/dbraw/zinc/94/17/37/1033941737.db2.gz DZJCMYYOUMEMMW-QHCPKHFHSA-N 1 0 397.482 3.996 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1)C1CCOCC1 ZINC001206728790 1033960399 /nfs/dbraw/zinc/96/03/99/1033960399.db2.gz WNGMMAWIXDJTJT-YSTOQKLRSA-N 1 0 376.541 3.573 20 30 GHEDRO Cc1cc(N(c2nc3c(cc2C#N)CCCC3(C)C)C2CC[NH2+]CC2)nc(C)n1 ZINC001158396864 1034059778 /nfs/dbraw/zinc/05/97/78/1034059778.db2.gz SDNBBHHPBHKHIR-UHFFFAOYSA-N 1 0 390.535 3.864 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCc4c(CC#N)cccc4C3)CC2)CC1 ZINC001230736160 1034202187 /nfs/dbraw/zinc/20/21/87/1034202187.db2.gz IJEXEEHYHIVVBZ-UHFFFAOYSA-N 1 0 394.563 3.863 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3Br)C2)C1=O ZINC001276519067 1034228667 /nfs/dbraw/zinc/22/86/67/1034228667.db2.gz UEQYMEZFQMMWGZ-OAQYLSRUSA-N 1 0 397.316 3.660 20 30 GHEDRO CC1(C)C[C@@H](C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CCO1 ZINC001207357318 1034302883 /nfs/dbraw/zinc/30/28/83/1034302883.db2.gz KVDPEOXTNATNEQ-XUZZJYLKSA-N 1 0 397.563 3.682 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCc1ccc(Br)cc1 ZINC001207382922 1034330443 /nfs/dbraw/zinc/33/04/43/1034330443.db2.gz WCKZNKKCNTTZKW-SFHVURJKSA-N 1 0 390.325 3.527 20 30 GHEDRO CCOC(=O)Cn1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)c(-c2ccccc2)n1 ZINC001207510389 1034415427 /nfs/dbraw/zinc/41/54/27/1034415427.db2.gz SWHFDQVUFDLSAO-UHFFFAOYSA-N 1 0 388.471 3.583 20 30 GHEDRO CCOC(=O)c1sc(SC)c(C#N)c1Nc1cccc(OCC[NH3+])c1 ZINC001159133611 1034443727 /nfs/dbraw/zinc/44/37/27/1034443727.db2.gz DIOZHHHFQOWJDY-UHFFFAOYSA-N 1 0 377.491 3.599 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(Nc2cc([C@H]3CCCC[NH2+]3)no2)cc1 ZINC001159313950 1034539910 /nfs/dbraw/zinc/53/99/10/1034539910.db2.gz WMKQZJQKNXVTKU-MRXNPFEDSA-N 1 0 393.509 3.984 20 30 GHEDRO COC(=O)c1cc(Br)cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001159443288 1034597634 /nfs/dbraw/zinc/59/76/34/1034597634.db2.gz OKPDSMOXJNVIOG-UHFFFAOYSA-N 1 0 386.249 3.538 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207823608 1034601664 /nfs/dbraw/zinc/60/16/64/1034601664.db2.gz UBPKIXWRYIWRHE-OVYGPGRDSA-N 1 0 383.483 3.891 20 30 GHEDRO N#Cc1cc(Nc2ccccc2I)cc(C2C[NH2+]C2)c1 ZINC001159478386 1034612487 /nfs/dbraw/zinc/61/24/87/1034612487.db2.gz LUWNAKCECJEKNX-UHFFFAOYSA-N 1 0 375.213 3.593 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2)c1ccccc1 ZINC001207903516 1034645772 /nfs/dbraw/zinc/64/57/72/1034645772.db2.gz LVZJWGIMJZUSGO-RDPSFJRHSA-N 1 0 390.531 3.676 20 30 GHEDRO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001207918772 1034659130 /nfs/dbraw/zinc/65/91/30/1034659130.db2.gz ZSEILWVAEITETR-GOSISDBHSA-N 1 0 377.536 3.647 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC001159634838 1034698540 /nfs/dbraw/zinc/69/85/40/1034698540.db2.gz SFTIMCYXFGLDNF-VQIMIIECSA-N 1 0 389.337 3.894 20 30 GHEDRO COc1cc(F)cc(Br)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159841518 1034759394 /nfs/dbraw/zinc/75/93/94/1034759394.db2.gz YUFOFWIUKDMXEO-UHFFFAOYSA-N 1 0 376.229 3.899 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccco3)C2)CC1 ZINC001208171506 1034771028 /nfs/dbraw/zinc/77/10/28/1034771028.db2.gz VOBFVEUOHMZUEY-KJXAQDMKSA-N 1 0 384.520 3.679 20 30 GHEDRO C=C(C)[C@@H]1CC=C(CN2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)CC1 ZINC001208174177 1034772587 /nfs/dbraw/zinc/77/25/87/1034772587.db2.gz BQVNCZAKHHOZPT-HXUWFJFHSA-N 1 0 384.568 3.593 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC001231619213 1034776599 /nfs/dbraw/zinc/77/65/99/1034776599.db2.gz SABZXDJHWFKUMG-OAQYLSRUSA-N 1 0 384.520 3.612 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001231620017 1034777981 /nfs/dbraw/zinc/77/79/81/1034777981.db2.gz VLEKRTBVHDBMTI-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO C=CCOc1cccc(CN2Cc3ncn(CC4CC4)c3[C@H](COCC)C2)c1 ZINC001231621634 1034779527 /nfs/dbraw/zinc/77/95/27/1034779527.db2.gz GIVGOSSNEXJLKY-FQEVSTJZSA-N 1 0 381.520 3.994 20 30 GHEDRO C=CCOc1cccc(CN2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)c1 ZINC001231621867 1034779563 /nfs/dbraw/zinc/77/95/63/1034779563.db2.gz LFIMPJBHZLJJMP-IBGZPJMESA-N 1 0 390.487 3.558 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC001231657763 1034814511 /nfs/dbraw/zinc/81/45/11/1034814511.db2.gz SRHKAAHLQQIUJB-ZEQRLZLVSA-N 1 0 376.500 3.651 20 30 GHEDRO COc1cc(CN2CCC[C@H](CC#N)C2)c(Br)cc1OC(C)=O ZINC001231689505 1034839479 /nfs/dbraw/zinc/83/94/79/1034839479.db2.gz WFLPTUHSJFSLCO-CYBMUJFWSA-N 1 0 381.270 3.509 20 30 GHEDRO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(Cl)cs2)cc1C#N ZINC001277555676 1034858451 /nfs/dbraw/zinc/85/84/51/1034858451.db2.gz RBUHGXRKWOLHQD-MQVJKMGUSA-N 1 0 388.924 3.537 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001208361739 1034870940 /nfs/dbraw/zinc/87/09/40/1034870940.db2.gz MJPHNBHPQQICSW-ZIAGYGMSSA-N 1 0 391.562 3.623 20 30 GHEDRO COc1ccc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001208406020 1034885619 /nfs/dbraw/zinc/88/56/19/1034885619.db2.gz RZNUYLUQQBPZOO-IRXDYDNUSA-N 1 0 378.476 3.694 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 ZINC001231816036 1034925634 /nfs/dbraw/zinc/92/56/34/1034925634.db2.gz IENFFWGUABAZBC-VQTJNVASSA-N 1 0 384.524 3.620 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001231817016 1034926613 /nfs/dbraw/zinc/92/66/13/1034926613.db2.gz URNRMQFRPJPIKZ-IBGZPJMESA-N 1 0 386.540 3.916 20 30 GHEDRO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231818203 1034927508 /nfs/dbraw/zinc/92/75/08/1034927508.db2.gz UBFPOCUSESZRRN-IBGZPJMESA-N 1 0 386.540 3.868 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)cc1 ZINC001231821934 1034929007 /nfs/dbraw/zinc/92/90/07/1034929007.db2.gz OTVFOWDQYMXFBI-OAQYLSRUSA-N 1 0 394.494 3.570 20 30 GHEDRO N#CCc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC001208556427 1034932319 /nfs/dbraw/zinc/93/23/19/1034932319.db2.gz DSUJZYNIRKVIKU-UHFFFAOYSA-N 1 0 377.492 3.845 20 30 GHEDRO COC(=O)C1(C#N)CCN(Cc2ccc(OCc3ccccc3)cc2C)CC1 ZINC001231849499 1034940085 /nfs/dbraw/zinc/94/00/85/1034940085.db2.gz UWOAWXDKZNGDFB-UHFFFAOYSA-N 1 0 378.472 3.853 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc4ccnc(Cl)c4c3)CC2)nc1 ZINC001231980785 1035021155 /nfs/dbraw/zinc/02/11/55/1035021155.db2.gz FELYPRVOXCEGEP-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3c(C)cc(F)cc3Br)C2)C1=O ZINC001277596556 1035027976 /nfs/dbraw/zinc/02/79/76/1035027976.db2.gz FSRRSZQEXIJPDH-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160746991 1035053724 /nfs/dbraw/zinc/05/37/24/1035053724.db2.gz FTUMYANEUJGMOQ-CHWSQXEVSA-N 1 0 397.788 3.746 20 30 GHEDRO N#CCc1ccc(OCc2ccc(NCC[NH+]3CCC(F)(F)CC3)nc2)cc1 ZINC001160752253 1035056718 /nfs/dbraw/zinc/05/67/18/1035056718.db2.gz LVUYBLPSPGZPIC-UHFFFAOYSA-N 1 0 386.446 3.870 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001208852211 1035058154 /nfs/dbraw/zinc/05/81/54/1035058154.db2.gz WLUBGFKFKJTUBR-NRFANRHFSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 ZINC001208852892 1035059660 /nfs/dbraw/zinc/05/96/60/1035059660.db2.gz WADIMKVNFBUDBJ-QHCPKHFHSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)cc1 ZINC001208925612 1035092215 /nfs/dbraw/zinc/09/22/15/1035092215.db2.gz JRGDMZIHIZDFTD-UHFFFAOYSA-N 1 0 379.529 3.791 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1Cl ZINC001232113654 1035102726 /nfs/dbraw/zinc/10/27/26/1035102726.db2.gz XROMHKGZJRQTCA-JOCHJYFZSA-N 1 0 397.881 3.975 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cc1Cl ZINC001232114811 1035104336 /nfs/dbraw/zinc/10/43/36/1035104336.db2.gz WIYVCAUPIHXCNI-PKTZIBPZSA-N 1 0 395.934 3.729 20 30 GHEDRO C#CC[C@]1(C(=O)N(C)[C@H](C)[C@H](Oc2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC001160998234 1035116526 /nfs/dbraw/zinc/11/65/26/1035116526.db2.gz RGWCZIIHCFFMMZ-WNOPAQSVSA-N 1 0 376.500 3.799 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954580 1035128240 /nfs/dbraw/zinc/12/82/40/1035128240.db2.gz WNISHYBBTHSCMK-FYYLOGMGSA-N 1 0 375.516 3.924 20 30 GHEDRO CCCc1cc(C#N)c(NCC2CC[NH+](C3CCOCC3)CC2)nc1Cl ZINC001161236165 1035187340 /nfs/dbraw/zinc/18/73/40/1035187340.db2.gz BTTLVUBTPYBYQM-UHFFFAOYSA-N 1 0 376.932 3.862 20 30 GHEDRO N#Cc1cc(NCC2CC[NH+](CC3CCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001161234817 1035187499 /nfs/dbraw/zinc/18/74/99/1035187499.db2.gz URWVECOYZYLGJU-UHFFFAOYSA-N 1 0 379.464 3.939 20 30 GHEDRO C=CCCC[NH+]1CCC2(CC1)C[C@@H](CC(=O)NCCOC)c1ccccc1O2 ZINC001209158028 1035195166 /nfs/dbraw/zinc/19/51/66/1035195166.db2.gz JRSPHPJWLHKIKB-LJQANCHMSA-N 1 0 386.536 3.506 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161280730 1035200088 /nfs/dbraw/zinc/20/00/88/1035200088.db2.gz SIMJYATWBGWFIY-XYPYZODXSA-N 1 0 392.837 3.513 20 30 GHEDRO CC1(C)OCC(C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)CO1 ZINC001209202230 1035206462 /nfs/dbraw/zinc/20/64/62/1035206462.db2.gz ODZHLGWCADJDGJ-UHFFFAOYSA-N 1 0 375.472 3.831 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161414323 1035226203 /nfs/dbraw/zinc/22/62/03/1035226203.db2.gz UXWSQQSCBIXCDO-ZCNNSNEGSA-N 1 0 379.589 3.561 20 30 GHEDRO COCCC1(CNc2nc(-c3ccccc3)nc(SC)c2C#N)CC[NH2+]CC1 ZINC001161503699 1035243896 /nfs/dbraw/zinc/24/38/96/1035243896.db2.gz QPAHCOUWUNMBFU-UHFFFAOYSA-N 1 0 397.548 3.555 20 30 GHEDRO C=CCCCCCCCCN1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001209442634 1035275066 /nfs/dbraw/zinc/27/50/66/1035275066.db2.gz AHSXWCDTAJBWIG-NRFANRHFSA-N 1 0 387.616 3.924 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001209444518 1035275881 /nfs/dbraw/zinc/27/58/81/1035275881.db2.gz SCHQSNUKYPCWLF-GGAORHGYSA-N 1 0 392.584 3.776 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001161675318 1035283255 /nfs/dbraw/zinc/28/32/55/1035283255.db2.gz XYEPAXIAKSFADK-POZCITJASA-N 1 0 385.965 3.782 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 ZINC001248154358 1035580273 /nfs/dbraw/zinc/58/02/73/1035580273.db2.gz FHQYCOLCJDZHNW-OAHLLOKOSA-N 1 0 388.349 3.619 20 30 GHEDRO Cc1nc2cc(-c3noc(C[C@H]([NH3+])Cc4cccc(C#N)c4)n3)ccc2s1 ZINC001248155054 1035581608 /nfs/dbraw/zinc/58/16/08/1035581608.db2.gz MWKXRIYXDMYJEY-MRXNPFEDSA-N 1 0 375.457 3.639 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cccc(-c4ccncc4)c3)no2)cc1 ZINC001248157006 1035584713 /nfs/dbraw/zinc/58/47/13/1035584713.db2.gz HNYQQFNFLMAUAR-OAQYLSRUSA-N 1 0 381.439 3.783 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)c(C#N)c1 ZINC001248159453 1035587211 /nfs/dbraw/zinc/58/72/11/1035587211.db2.gz MQYJBFVHKOKRKN-IBGZPJMESA-N 1 0 385.471 3.890 20 30 GHEDRO CC(C)(C)Oc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1 ZINC001248159496 1035587299 /nfs/dbraw/zinc/58/72/99/1035587299.db2.gz NTKHIQGBCUWZNQ-SFHVURJKSA-N 1 0 376.460 3.898 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@@H]([NH3+])COCc3ccccc3)n2)c(C#N)c1 ZINC001248178472 1035605633 /nfs/dbraw/zinc/60/56/33/1035605633.db2.gz JCQDAIOCNADLAT-LJQANCHMSA-N 1 0 390.487 3.992 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cn3ccnc13)C2 ZINC001248439887 1035857526 /nfs/dbraw/zinc/85/75/26/1035857526.db2.gz LSBDZHBJPBERTL-UYAOXDASSA-N 1 0 375.900 3.561 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC001242726987 1035948490 /nfs/dbraw/zinc/94/84/90/1035948490.db2.gz RDUYBSODQOLWRO-UHFFFAOYSA-N 1 0 381.524 3.925 20 30 GHEDRO N#Cc1cccc(-c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)c1F ZINC001245070012 1036751926 /nfs/dbraw/zinc/75/19/26/1036751926.db2.gz XYUUUGUSQZDGNM-INIZCTEOSA-N 1 0 389.434 3.874 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)CNCc1nnc2n1CCC[NH2+]C2 ZINC001245988354 1037110095 /nfs/dbraw/zinc/11/00/95/1037110095.db2.gz VKRJLZOFKKBTKM-IBGZPJMESA-N 1 0 379.593 3.533 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc(Cl)cn1 ZINC001278436351 1037242184 /nfs/dbraw/zinc/24/21/84/1037242184.db2.gz GPJNSZIFHJVGHB-OALUTQOASA-N 1 0 380.964 3.962 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246312258 1037289353 /nfs/dbraw/zinc/28/93/53/1037289353.db2.gz NEXUXIPXKKDYRE-YJBOKZPZSA-N 1 0 385.335 3.667 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3nc(CC)cs3)C[C@@H]2c2ccccc2)C1=O ZINC001232470338 1038256043 /nfs/dbraw/zinc/25/60/43/1038256043.db2.gz SPIWDUBTBXNHGL-KNQAVFIVSA-N 1 0 381.545 3.710 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3OC)C2)C1 ZINC001232496223 1038269667 /nfs/dbraw/zinc/26/96/67/1038269667.db2.gz JXDXPFUMJNRERU-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO C=CCCNC(=S)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001247635894 1038285427 /nfs/dbraw/zinc/28/54/27/1038285427.db2.gz JSGQRSXLUVGNEY-UHFFFAOYSA-N 1 0 387.593 3.583 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3nc4ccccc4o3)C[C@@H]2c2ccccc2)C1=O ZINC001232556729 1038323030 /nfs/dbraw/zinc/32/30/30/1038323030.db2.gz QQRHIERBVABBKG-DVECYGJZSA-N 1 0 387.483 3.832 20 30 GHEDRO C=CCCCNC(=S)N1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001247726045 1038348633 /nfs/dbraw/zinc/34/86/33/1038348633.db2.gz CIHDXGGDGXTDRP-UHFFFAOYSA-N 1 0 387.593 3.824 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000466005038 1038354213 /nfs/dbraw/zinc/35/42/13/1038354213.db2.gz SUVGRATYCHRHRF-FQEVSTJZSA-N 1 0 392.503 3.937 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)n2)c(C#N)c1 ZINC001247881683 1038449786 /nfs/dbraw/zinc/44/97/86/1038449786.db2.gz FHHPDALXNDIDGG-IVZQSRNASA-N 1 0 380.492 3.607 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001232890488 1038674747 /nfs/dbraw/zinc/67/47/47/1038674747.db2.gz GETUQFPEEWSRHQ-IRLDBZIGSA-N 1 0 399.441 3.682 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1=O ZINC001232891113 1038677512 /nfs/dbraw/zinc/67/75/12/1038677512.db2.gz VWVBXUGIVQBUDS-QHCPKHFHSA-N 1 0 377.463 3.844 20 30 GHEDRO N#Cc1cccc(CN2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001232927197 1038713630 /nfs/dbraw/zinc/71/36/30/1038713630.db2.gz SROIHNXRUFJYSL-UHFFFAOYSA-N 1 0 390.531 3.599 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c(C#N)c1 ZINC001232964498 1038737691 /nfs/dbraw/zinc/73/76/91/1038737691.db2.gz YSALPBMTVRAZOI-RTBURBONSA-N 1 0 387.499 3.942 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c(C#N)c1 ZINC001232964494 1038737978 /nfs/dbraw/zinc/73/79/78/1038737978.db2.gz YSALPBMTVRAZOI-OALUTQOASA-N 1 0 387.499 3.942 20 30 GHEDRO CCn1ncc2c1CN(Cc1ccc(C#N)cc1C)C[C@H]2COc1cccnc1 ZINC001233079319 1038845993 /nfs/dbraw/zinc/84/59/93/1038845993.db2.gz BISQSZVGNFKDAA-FQEVSTJZSA-N 1 0 387.487 3.657 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001233081693 1038851488 /nfs/dbraw/zinc/85/14/88/1038851488.db2.gz LUORVNOWVMHFML-IBGZPJMESA-N 1 0 381.451 3.603 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001233081712 1038853281 /nfs/dbraw/zinc/85/32/81/1038853281.db2.gz MQVKZRBBRBPZDY-LADGPHEKSA-N 1 0 391.515 3.850 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001252125436 1038871159 /nfs/dbraw/zinc/87/11/59/1038871159.db2.gz DFSSNQDDGBQHKU-JOCHJYFZSA-N 1 0 390.616 3.962 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(F)c1C#N ZINC001233101882 1038881425 /nfs/dbraw/zinc/88/14/25/1038881425.db2.gz IBOICLLZRBUKOV-DEOSSOPVSA-N 1 0 392.522 3.861 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001252129250 1038882785 /nfs/dbraw/zinc/88/27/85/1038882785.db2.gz XXOQYWRWTQGFCR-ONTIZHBOSA-N 1 0 376.541 3.805 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)cc(C)c1O)C2 ZINC001233111089 1038901829 /nfs/dbraw/zinc/90/18/29/1038901829.db2.gz ZMKNSTZZOMFQCU-PKOBYXMFSA-N 1 0 396.325 3.789 20 30 GHEDRO C[C@@H]([NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 ZINC001252331567 1038944504 /nfs/dbraw/zinc/94/45/04/1038944504.db2.gz TWXQKBLLELKAHA-PIGZYNQJSA-N 1 0 397.422 3.679 20 30 GHEDRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252331664 1038944536 /nfs/dbraw/zinc/94/45/36/1038944536.db2.gz VSCOLYATJQIBHR-FRIZHTMISA-N 1 0 397.441 3.682 20 30 GHEDRO CC(C)C([NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC001252339371 1038946650 /nfs/dbraw/zinc/94/66/50/1038946650.db2.gz FLDYTWVRQMYJKM-GOSISDBHSA-N 1 0 385.430 3.537 20 30 GHEDRO N#CC1(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCCC1 ZINC001252571997 1039035851 /nfs/dbraw/zinc/03/58/51/1039035851.db2.gz HIBFOGJJSNFWIZ-UHFFFAOYSA-N 1 0 376.504 3.751 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2cc3c(ncn3C)c(-c3cccnc3)n2)CC1 ZINC001252595871 1039040794 /nfs/dbraw/zinc/04/07/94/1039040794.db2.gz KYUCDIGSUGNCFW-LJQANCHMSA-N 1 0 391.519 3.537 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CCc2c[nH]c3ccc(C#N)cc23)cc1 ZINC001252769999 1039161482 /nfs/dbraw/zinc/16/14/82/1039161482.db2.gz VVEQRJIYVGXBBG-HXUWFJFHSA-N 1 0 391.515 3.909 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCCn2cnc(CNC(C)=O)c2C1 ZINC001252985442 1039314113 /nfs/dbraw/zinc/31/41/13/1039314113.db2.gz NQFHGVHCBPDMKY-HXUWFJFHSA-N 1 0 392.588 3.617 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@H+](CCOC)C1CCN(C(C)=O)CC1 ZINC001252986038 1039314295 /nfs/dbraw/zinc/31/42/95/1039314295.db2.gz RRPZRRZQBGJILU-JOCHJYFZSA-N 1 0 384.605 3.837 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001252989189 1039316356 /nfs/dbraw/zinc/31/63/56/1039316356.db2.gz NDBDGPDSGBOUPP-LEWJYISDSA-N 1 0 382.589 3.638 20 30 GHEDRO COc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c2c(c1)C(=O)C=C(Cl)C2=O ZINC001233517091 1039405814 /nfs/dbraw/zinc/40/58/14/1039405814.db2.gz FBWWENWZRZBRRS-NHAGDIPZSA-N 1 0 389.879 3.980 20 30 GHEDRO CCOC(=O)c1c[nH]c2cc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc21 ZINC001233540370 1039424409 /nfs/dbraw/zinc/42/44/09/1039424409.db2.gz TYVAVDSKMYYZHG-IBGZPJMESA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cccc(N2CCCCS2(=O)=O)c1 ZINC001253255700 1039505770 /nfs/dbraw/zinc/50/57/70/1039505770.db2.gz ZWFRWTYHYDCFOC-OAQYLSRUSA-N 1 0 394.581 3.594 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]C2(c3ccc(C#N)cc3)CC2)cc1 ZINC001253436263 1039637696 /nfs/dbraw/zinc/63/76/96/1039637696.db2.gz OTYYDCKNSCZJBP-NRFANRHFSA-N 1 0 392.499 3.652 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]cn1 ZINC001253566040 1039707132 /nfs/dbraw/zinc/70/71/32/1039707132.db2.gz WCRMTZALWGEZAK-NRFANRHFSA-N 1 0 394.604 3.720 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1ccccc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588661 1039710326 /nfs/dbraw/zinc/71/03/26/1039710326.db2.gz ZJNODYDOUHROBO-MSOLQXFVSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@@H](O)C[NH2+]CC1(Cc2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610426 1039719297 /nfs/dbraw/zinc/71/92/97/1039719297.db2.gz SJUFWJMTRVWTLL-GOSISDBHSA-N 1 0 392.515 3.522 20 30 GHEDRO C=C[C@H](O)C[NH2+]CC1(Cc2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610427 1039720321 /nfs/dbraw/zinc/72/03/21/1039720321.db2.gz SJUFWJMTRVWTLL-SFHVURJKSA-N 1 0 392.515 3.522 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610698 1039720611 /nfs/dbraw/zinc/72/06/11/1039720611.db2.gz VYTGQJTZKJJAGZ-OALUTQOASA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C1CC(CO)C1 ZINC001253613811 1039721818 /nfs/dbraw/zinc/72/18/18/1039721818.db2.gz FEUSCWBMSOQUKZ-LZBANZJXSA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1CC[C@@H](O)C1 ZINC001253613998 1039723207 /nfs/dbraw/zinc/72/32/07/1039723207.db2.gz GVTYYORQSBGGDU-BDTNDASRSA-N 1 0 387.605 3.804 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1CCN(C)C1 ZINC001253614844 1039724882 /nfs/dbraw/zinc/72/48/82/1039724882.db2.gz WBLZPEUGSAIQQX-VXKWHMMOSA-N 1 0 386.621 3.595 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1 ZINC001253614845 1039725500 /nfs/dbraw/zinc/72/55/00/1039725500.db2.gz WBLZPEUGSAIQQX-YADHBBJMSA-N 1 0 386.621 3.595 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H]1COC[C@@H]1F ZINC001253616794 1039728636 /nfs/dbraw/zinc/72/86/36/1039728636.db2.gz IMSZUPFTXPGFTE-QHAWAJNXSA-N 1 0 391.568 3.628 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)c1C#N ZINC001253730959 1039784034 /nfs/dbraw/zinc/78/40/34/1039784034.db2.gz MHUWSOVCSLYWEW-UHFFFAOYSA-N 1 0 394.306 3.656 20 30 GHEDRO C#C[C@H](C)Oc1cc2c(cc1OC)CC[N@@+]1(C)Cc3cc(OC)c(O)cc3C[C@@H]21 ZINC001234128575 1039868106 /nfs/dbraw/zinc/86/81/06/1039868106.db2.gz CQYMFDUDMSPTNZ-SOJACNMYSA-O 1 0 394.491 3.610 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc4sccc4nc3Cl)CC2)C1=O ZINC001277866528 1040142163 /nfs/dbraw/zinc/14/21/63/1040142163.db2.gz GABKUJKBSVBUBV-UHFFFAOYSA-N 1 0 375.925 3.950 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001254306101 1040156471 /nfs/dbraw/zinc/15/64/71/1040156471.db2.gz MGSPMBLRTDGVEP-IPJJNNNSSA-N 1 0 394.556 3.602 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CCC(=O)NCc2ccccc2)CC1 ZINC001254347605 1040181810 /nfs/dbraw/zinc/18/18/10/1040181810.db2.gz NCIWRFWZVYSUBF-UHFFFAOYSA-N 1 0 379.479 3.826 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccnc(OCC3CC3)n2)CC1 ZINC001254349865 1040182877 /nfs/dbraw/zinc/18/28/77/1040182877.db2.gz BRYYKSZZNGHLIW-UHFFFAOYSA-N 1 0 380.467 3.898 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(Oc3ccncn3)CC2)CC1 ZINC001254359578 1040191502 /nfs/dbraw/zinc/19/15/02/1040191502.db2.gz KAXLXKYOAZVMOY-UHFFFAOYSA-N 1 0 380.467 3.863 20 30 GHEDRO C#C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)C1CCOCC1 ZINC001462448936 1070259422 /nfs/dbraw/zinc/25/94/22/1070259422.db2.gz VMDDGSAHZXZIDJ-FKBYEOEOSA-N 1 0 398.547 3.798 20 30 GHEDRO CC[N@@H+]1CCC[C@H](Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001234714689 1040244618 /nfs/dbraw/zinc/24/46/18/1040244618.db2.gz MWHBPJMNYZIINV-BXBHGGAKSA-N 1 0 395.455 3.620 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)OC)C1 ZINC001462460356 1070269980 /nfs/dbraw/zinc/26/99/80/1070269980.db2.gz KUNLQQGQQRODRX-ZDUSSCGKSA-N 1 0 392.286 3.811 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC001254650953 1040418281 /nfs/dbraw/zinc/41/82/81/1040418281.db2.gz ZKINPAUDUVFCQX-PKOBYXMFSA-N 1 0 384.524 3.526 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)(c2ccccn2)CC1 ZINC001254650379 1040418518 /nfs/dbraw/zinc/41/85/18/1040418518.db2.gz ZWGSMPXMFFMJRT-ROUUACIJSA-N 1 0 384.524 3.632 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC(NC(=[NH2+])c3ccc(F)cn3)CC2)CC1 ZINC001254789958 1040550954 /nfs/dbraw/zinc/55/09/54/1040550954.db2.gz OZIBUYHEBWGJEB-UHFFFAOYSA-N 1 0 390.503 3.886 20 30 GHEDRO C[NH+](C)Cc1ccc(CN2CCc3c(CC#N)cccc3C2)c2c1OC(F)(F)O2 ZINC001462478418 1070287315 /nfs/dbraw/zinc/28/73/15/1070287315.db2.gz GXRYBGAUAQXBIF-UHFFFAOYSA-N 1 0 399.441 3.694 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]CCCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC001254893923 1040649686 /nfs/dbraw/zinc/64/96/86/1040649686.db2.gz NBQILIGLAMCAQL-REPLKXPHSA-N 1 0 385.508 3.562 20 30 GHEDRO C=CCN1C(=O)CCC12CCN(Cc1nc(Cl)ccc1C(F)(F)F)CC2 ZINC001235230625 1040711482 /nfs/dbraw/zinc/71/14/82/1040711482.db2.gz QADZPAHVLDKHAE-UHFFFAOYSA-N 1 0 387.833 3.897 20 30 GHEDRO CSc1nc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCCC(F)(F)F)ccc1C#N ZINC001278840420 1040777738 /nfs/dbraw/zinc/77/77/38/1040777738.db2.gz WIXUMLSLCNQLGD-HOTGVXAUSA-N 1 0 384.471 3.666 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc(C)c1OCCO ZINC001235367071 1040862319 /nfs/dbraw/zinc/86/23/19/1040862319.db2.gz GYOQJPGXPZQGST-JOCHJYFZSA-N 1 0 380.488 3.590 20 30 GHEDRO Cn1cc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c2cc(C#N)ccc21 ZINC001235379992 1040900741 /nfs/dbraw/zinc/90/07/41/1040900741.db2.gz IOQYLDFATNHETF-RDGATRHJSA-N 1 0 384.527 3.803 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCC[C@H](C(=O)OCC)C3)CC2)C1 ZINC001255358280 1040960100 /nfs/dbraw/zinc/96/01/00/1040960100.db2.gz UGWFUSVPWYPRDQ-OALUTQOASA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCC[C@H](C(=O)OCC)C1)[C@H]2CC ZINC001255360620 1040962031 /nfs/dbraw/zinc/96/20/31/1040962031.db2.gz CWNDUMLCULZCFW-WEMPKCCASA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cncc(F)c3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001235500314 1040963738 /nfs/dbraw/zinc/96/37/38/1040963738.db2.gz YLOYEQIGQVZLAS-GCJKJVERSA-N 1 0 399.897 3.878 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001235517055 1040972679 /nfs/dbraw/zinc/97/26/79/1040972679.db2.gz IZEAJNYVGZZOHL-DEOSSOPVSA-N 1 0 391.490 3.906 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001235526436 1040975205 /nfs/dbraw/zinc/97/52/05/1040975205.db2.gz DFBTUSCKSLULEN-MRXNPFEDSA-N 1 0 376.382 3.605 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)C1 ZINC001255424136 1041018062 /nfs/dbraw/zinc/01/80/62/1041018062.db2.gz RLZFWPGGMUXQQH-HXUWFJFHSA-N 1 0 385.471 3.601 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001235689096 1041160981 /nfs/dbraw/zinc/16/09/81/1041160981.db2.gz GKRXQAJLYRGTNE-NRFANRHFSA-N 1 0 380.536 3.891 20 30 GHEDRO CCOC(=O)N1CC[C@@H]([NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)C1 ZINC001256046086 1041493425 /nfs/dbraw/zinc/49/34/25/1041493425.db2.gz QVBSLKUVEZZIAF-JOCHJYFZSA-N 1 0 388.471 3.663 20 30 GHEDRO COc1cc(N2CCC(NC(=[NH2+])c3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-] ZINC001256092429 1041522604 /nfs/dbraw/zinc/52/26/04/1041522604.db2.gz NBIANRCDMXOSEY-UHFFFAOYSA-N 1 0 382.464 3.595 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CCC[C@H](c4ccccc4)C3)CC2)C1=O ZINC001256116819 1041546630 /nfs/dbraw/zinc/54/66/30/1041546630.db2.gz PJDCMLXYRXHJLS-FCHUYYIVSA-N 1 0 381.564 3.507 20 30 GHEDRO Cn1cc(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001236399781 1041701695 /nfs/dbraw/zinc/70/16/95/1041701695.db2.gz RAHZWBTVRDHDLU-OAQYLSRUSA-N 1 0 376.479 3.943 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)CC(=O)N1CCOCC1 ZINC001256350315 1041708408 /nfs/dbraw/zinc/70/84/08/1041708408.db2.gz UBTMTCOBEFQASJ-VQTJNVASSA-N 1 0 391.515 3.759 20 30 GHEDRO CSc1nc(CN(Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)ccc1C#N ZINC001236482439 1041735035 /nfs/dbraw/zinc/73/50/35/1041735035.db2.gz HFRIBFUELCQMFI-UHFFFAOYSA-N 1 0 384.524 3.877 20 30 GHEDRO C#CCOc1ccc(CN(Cc2ccc(C)cc2F)C2CC[NH2+]CC2)cc1OC ZINC001236492652 1041738452 /nfs/dbraw/zinc/73/84/52/1041738452.db2.gz NTNDRYHNVKZDPE-UHFFFAOYSA-N 1 0 396.506 3.909 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(Br)c2)C[C@H]1c1ccccc1 ZINC001236861844 1041932412 /nfs/dbraw/zinc/93/24/12/1041932412.db2.gz VGUBCTVTRXTVNI-ZWKOTPCHSA-N 1 0 399.288 3.709 20 30 GHEDRO Fc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)cc1N1CCOCC1 ZINC001236968010 1041972590 /nfs/dbraw/zinc/97/25/90/1041972590.db2.gz PGKDAAFGAUYTGA-UHFFFAOYSA-N 1 0 378.491 3.926 20 30 GHEDRO CCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(O)c1 ZINC001237045120 1042004897 /nfs/dbraw/zinc/00/48/97/1042004897.db2.gz XGQUNPDBGRWVSZ-UHFFFAOYSA-N 1 0 382.460 3.715 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OCC)cc1O)CC2 ZINC001237044674 1042005145 /nfs/dbraw/zinc/00/51/45/1042005145.db2.gz MDNGIGHRQQZIEJ-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237137183 1042059887 /nfs/dbraw/zinc/05/98/87/1042059887.db2.gz MGZQQZOPCNNQHB-RBUKOAKNSA-N 1 0 385.426 3.985 20 30 GHEDRO Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001237320981 1042146360 /nfs/dbraw/zinc/14/63/60/1042146360.db2.gz UDQGKXZUOJJFTF-HSZRJFAPSA-N 1 0 377.463 3.943 20 30 GHEDRO COc1cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)ccc1C#N ZINC001278088266 1042169926 /nfs/dbraw/zinc/16/99/26/1042169926.db2.gz VOKVKLBHHBKSBS-OKZBNKHCSA-N 1 0 377.488 3.690 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)CC1 ZINC001237462918 1042218554 /nfs/dbraw/zinc/21/85/54/1042218554.db2.gz NHVOFZRRJISGPX-FQEVSTJZSA-N 1 0 384.524 3.955 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)C2 ZINC001237469029 1042221148 /nfs/dbraw/zinc/22/11/48/1042221148.db2.gz ROGZZKPFTFIXAE-QHCPKHFHSA-N 1 0 376.504 3.583 20 30 GHEDRO C[C@H]1CCN(Cc2cc(C#N)c(F)cc2F)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001237524245 1042250114 /nfs/dbraw/zinc/25/01/14/1042250114.db2.gz GYXJLQLKXCFELA-BBRMVZONSA-N 1 0 379.451 3.819 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(C#N)c(F)cc3F)C[C@H]21 ZINC001237527935 1042252044 /nfs/dbraw/zinc/25/20/44/1042252044.db2.gz YJKLJWOKRHHXCA-LERMDLETSA-N 1 0 396.485 3.964 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)Nc1cccnc1N1CCC([NH3+])CC1 ZINC001237529787 1042252651 /nfs/dbraw/zinc/25/26/51/1042252651.db2.gz ICJFHSJWIAPMQE-UHFFFAOYSA-N 1 0 396.601 3.892 20 30 GHEDRO N#Cc1ccc2nc(C[N@@H+]3CC[C@@H](OCC4CC4)[C@@H]3Cc3ccccc3)cn2c1 ZINC001237612798 1042281482 /nfs/dbraw/zinc/28/14/82/1042281482.db2.gz CFLBZEJNJWCVGD-XZOQPEGZSA-N 1 0 386.499 3.818 20 30 GHEDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1O ZINC001237687752 1042327324 /nfs/dbraw/zinc/32/73/24/1042327324.db2.gz UHRGFKKUKKJJHQ-JOCHJYFZSA-N 1 0 395.890 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]2C1 ZINC001237747524 1042350959 /nfs/dbraw/zinc/35/09/59/1042350959.db2.gz CVLYPUFHQPAKIH-IAGOWNOFSA-N 1 0 375.900 3.900 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]12 ZINC001237751051 1042353295 /nfs/dbraw/zinc/35/32/95/1042353295.db2.gz QZSXDEWHPPFCKO-XZOQPEGZSA-N 1 0 393.918 3.976 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001237751214 1042353618 /nfs/dbraw/zinc/35/36/18/1042353618.db2.gz SMEMYQWRXOGVPP-TZIWHRDSSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC001237756763 1042355793 /nfs/dbraw/zinc/35/57/93/1042355793.db2.gz MZKXJVAWLNWLFB-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO Cc1nc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)ccc1F ZINC001237816394 1042383741 /nfs/dbraw/zinc/38/37/41/1042383741.db2.gz KBBQXGDIZCOGPR-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO CCOC(=O)COc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001237911909 1042419571 /nfs/dbraw/zinc/41/95/71/1042419571.db2.gz AAPSHXAWZUOSNV-JOCHJYFZSA-N 1 0 394.471 3.544 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(N3CCCCC3)n1)C2 ZINC001238001641 1042453231 /nfs/dbraw/zinc/45/32/31/1042453231.db2.gz OQVVDDVDEQPPEY-GGAORHGYSA-N 1 0 385.552 3.646 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238011635 1042458571 /nfs/dbraw/zinc/45/85/71/1042458571.db2.gz MMXORTGBFKYKKD-QHCPKHFHSA-N 1 0 392.503 3.802 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc(F)cc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001238021652 1042462997 /nfs/dbraw/zinc/46/29/97/1042462997.db2.gz PDZOAZQFOHXZDQ-GCJKJVERSA-N 1 0 399.897 3.878 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(Cc3cc(OC)ccc3C(F)(F)F)C2)CC1 ZINC001238054241 1042476635 /nfs/dbraw/zinc/47/66/35/1042476635.db2.gz VNLWYNCCNOOJEY-UHFFFAOYSA-N 1 0 398.425 3.934 20 30 GHEDRO COc1cc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)ccc1C#N ZINC001238405853 1042586100 /nfs/dbraw/zinc/58/61/00/1042586100.db2.gz BNRYCDSTQHZVBP-OAQYLSRUSA-N 1 0 389.499 3.547 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(F)cc(N3CCCC3)c1)CC2 ZINC001238700171 1042690652 /nfs/dbraw/zinc/69/06/52/1042690652.db2.gz YENODTZQHBCGCA-UHFFFAOYSA-N 1 0 387.499 3.646 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)ccc1C#N ZINC001238761683 1042718134 /nfs/dbraw/zinc/71/81/34/1042718134.db2.gz DVFAGWAAOPUQTI-UHFFFAOYSA-N 1 0 388.515 3.644 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1(Cc2cccc(OC)c2)CC[NH2+]CC1 ZINC001238810866 1042736979 /nfs/dbraw/zinc/73/69/79/1042736979.db2.gz CCPKXMXQNUYEPP-UHFFFAOYSA-N 1 0 396.597 3.640 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001238824899 1042738951 /nfs/dbraw/zinc/73/89/51/1042738951.db2.gz OQRQDFUDPTWLFG-UHFFFAOYSA-N 1 0 396.597 3.596 20 30 GHEDRO CCCCCCCCNC(=O)NCC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001239240807 1042794255 /nfs/dbraw/zinc/79/42/55/1042794255.db2.gz BIRGMDFIWAODNF-UHFFFAOYSA-N 1 0 375.557 3.976 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N1C[C@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001239437468 1042829773 /nfs/dbraw/zinc/82/97/73/1042829773.db2.gz YTNOXWQHAUFZDU-ZWKOTPCHSA-N 1 0 385.618 3.604 20 30 GHEDRO CC(C)CNC(=O)c1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239913821 1042861898 /nfs/dbraw/zinc/86/18/98/1042861898.db2.gz ISFNXBXBQYOGJS-UHFFFAOYSA-N 1 0 377.488 3.742 20 30 GHEDRO CCOC(=O)c1cc(OCC)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(OCC)c1 ZINC001240361541 1042923178 /nfs/dbraw/zinc/92/31/78/1042923178.db2.gz RPDZHDIGVHBTTH-UHFFFAOYSA-N 1 0 394.471 3.886 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001291113485 1043085711 /nfs/dbraw/zinc/08/57/11/1043085711.db2.gz GDIVVJOQUCOZPR-LJQANCHMSA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C)C2)C1 ZINC001291127874 1043095304 /nfs/dbraw/zinc/09/53/04/1043095304.db2.gz NLQZYDBEVPFOMJ-MOPGFXCFSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001291702974 1043404495 /nfs/dbraw/zinc/40/44/95/1043404495.db2.gz BZHYNTXSUJMUFA-MJGOQNOKSA-N 1 0 380.540 3.641 20 30 GHEDRO CC[C@@H]1[C@@H](C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[N@@H+]1C ZINC001291769924 1043453455 /nfs/dbraw/zinc/45/34/55/1043453455.db2.gz JFAWYXYOPIGOCV-FCHUYYIVSA-N 1 0 379.479 3.956 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256526036 1043453735 /nfs/dbraw/zinc/45/37/35/1043453735.db2.gz HZYSGTJSVUBYAP-ZTCOLXNVSA-N 1 0 392.543 3.970 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C2)CC1 ZINC001256536671 1043481052 /nfs/dbraw/zinc/48/10/52/1043481052.db2.gz IMFZFUXQSIVBAP-RBBKRZOGSA-N 1 0 397.563 3.760 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCN(Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256544897 1043505169 /nfs/dbraw/zinc/50/51/69/1043505169.db2.gz PTIGSFYSNZIJGR-UNMCSNQZSA-N 1 0 381.564 3.683 20 30 GHEDRO CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C1)[NH+]1CCCC1 ZINC001292195778 1043621943 /nfs/dbraw/zinc/62/19/43/1043621943.db2.gz NPMMRWGGNLXXIV-XLIONFOSSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C1)[NH+]1CCCC1 ZINC001292195776 1043622221 /nfs/dbraw/zinc/62/22/21/1043622221.db2.gz NPMMRWGGNLXXIV-FXAWDEMLSA-N 1 0 378.524 3.537 20 30 GHEDRO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](C4CCC(C#N)CC4)C[C@H]2C3)c1 ZINC001256967275 1043777014 /nfs/dbraw/zinc/77/70/14/1043777014.db2.gz YIOBHIPBBGFGHR-GFFQMZFXSA-N 1 0 376.504 3.750 20 30 GHEDRO COC[C@@H](C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC001257010991 1043798323 /nfs/dbraw/zinc/79/83/23/1043798323.db2.gz PIQPGDVVGYKPEI-SOAGJPPSSA-N 1 0 387.524 3.714 20 30 GHEDRO CCOC[C@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)Cc2nnn(CC)c21 ZINC001257018188 1043802976 /nfs/dbraw/zinc/80/29/76/1043802976.db2.gz KHYORZYCDYLDER-NYLDSWQDSA-N 1 0 393.535 3.832 20 30 GHEDRO COCCN1CCC2(CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)C1=O ZINC001257020064 1043805350 /nfs/dbraw/zinc/80/53/50/1043805350.db2.gz RXQTWVLFWVMFLT-UHFFFAOYSA-N 1 0 395.547 3.545 20 30 GHEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H](NC(=O)c4ccncc4)C3)CC2)cc1 ZINC001257022081 1043806189 /nfs/dbraw/zinc/80/61/89/1043806189.db2.gz FCJQFQGACUBCKA-GTMAMOSYSA-N 1 0 388.515 3.874 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H](C)Cc1ccc(C(=O)OCC)cc1)C2 ZINC001257162497 1043908941 /nfs/dbraw/zinc/90/89/41/1043908941.db2.gz ZWGCKSBGEKVADY-CYFREDJKSA-N 1 0 398.547 3.827 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1)C(C)C ZINC001292958971 1043966044 /nfs/dbraw/zinc/96/60/44/1043966044.db2.gz RTASHVXAOYLQRF-FCHUYYIVSA-N 1 0 383.536 3.611 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[C@@H](CC(=O)N5CCCCC5)OC[C@H]4C3)C[C@H](C1)C2 ZINC001257891187 1044247212 /nfs/dbraw/zinc/24/72/12/1044247212.db2.gz GTPAMLDFNFBZAY-XPBFDOTKSA-N 1 0 386.580 3.861 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CC3)OCC(=O)N(c3cccnc3)[C@H]4C)C[C@H](C1)C2 ZINC001257892153 1044247754 /nfs/dbraw/zinc/24/77/54/1044247754.db2.gz VCCOOOAGYCKOOK-MDCHAIIRSA-N 1 0 395.547 3.803 20 30 GHEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001258047121 1044369635 /nfs/dbraw/zinc/36/96/35/1044369635.db2.gz HLWFKEHWJNNBGG-HXUWFJFHSA-N 1 0 376.589 3.836 20 30 GHEDRO CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001294126155 1044484164 /nfs/dbraw/zinc/48/41/64/1044484164.db2.gz GUUWLIDPUSYNKS-UHFFFAOYSA-N 1 0 378.524 3.539 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)/C=C\C(=O)c1ccc(C)cc1 ZINC001294255283 1044552734 /nfs/dbraw/zinc/55/27/34/1044552734.db2.gz RKYOQVXVSJYADB-KHPPLWFESA-N 1 0 384.442 3.857 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](C1CCC3(CC1)OCC(C)(C)CO3)CCC2 ZINC001258523619 1044601544 /nfs/dbraw/zinc/60/15/44/1044601544.db2.gz CMRNHACGFHMPRL-UHFFFAOYSA-N 1 0 389.540 3.503 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258525383 1044604438 /nfs/dbraw/zinc/60/44/38/1044604438.db2.gz RJIAARUUYBPMCK-TZIWHRDSSA-N 1 0 379.541 3.524 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)CC#N ZINC001294754711 1044785371 /nfs/dbraw/zinc/78/53/71/1044785371.db2.gz HOCQJFDUKKXKPY-PXNSSMCTSA-N 1 0 398.530 3.621 20 30 GHEDRO COc1cc(C[C@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)cc(OC)c1OC ZINC001258860414 1044798915 /nfs/dbraw/zinc/79/89/15/1044798915.db2.gz PSBKDAXTGRFSBO-HNNXBMFYSA-N 1 0 393.487 3.844 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001295366511 1044990195 /nfs/dbraw/zinc/99/01/95/1044990195.db2.gz ULYFKZLWRFASHT-KSZLIROESA-N 1 0 380.540 3.782 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C#N ZINC001296061283 1045237679 /nfs/dbraw/zinc/23/76/79/1045237679.db2.gz JWAOZTBSKYRLDT-DLBZAZTESA-N 1 0 391.523 3.507 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1 ZINC001296072704 1045245050 /nfs/dbraw/zinc/24/50/50/1045245050.db2.gz OJHHXKHJOJZDBU-SFHVURJKSA-N 1 0 398.580 3.545 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1 ZINC001298071303 1045693974 /nfs/dbraw/zinc/69/39/74/1045693974.db2.gz TXMVZJFWMZYGOH-UHFFFAOYSA-N 1 0 398.530 3.802 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)c2[nH]c3ccccc3c2C#N)[NH+](C)C)cc1 ZINC001298402643 1045799616 /nfs/dbraw/zinc/79/96/16/1045799616.db2.gz CCIHBJRVSWVUIF-IBGZPJMESA-N 1 0 378.501 3.794 20 30 GHEDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C[N@@H+]2C1 ZINC001298803022 1045951942 /nfs/dbraw/zinc/95/19/42/1045951942.db2.gz IMEQSBUGSLIAIA-MDZRGWNJSA-N 1 0 376.460 3.804 20 30 GHEDRO C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001262035211 1046164180 /nfs/dbraw/zinc/16/41/80/1046164180.db2.gz CDYXRYMLHCVMPO-QVURBQDSSA-N 1 0 389.902 3.542 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001300800292 1046167920 /nfs/dbraw/zinc/16/79/20/1046167920.db2.gz PEKCYSOPNRZFOA-AUSIDOKSSA-N 1 0 394.567 3.920 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001300909107 1046236082 /nfs/dbraw/zinc/23/60/82/1046236082.db2.gz KLIABDDZMXIFBT-NRFANRHFSA-N 1 0 392.551 3.989 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001300944200 1046253815 /nfs/dbraw/zinc/25/38/15/1046253815.db2.gz BJQXTDZYWNPANS-UHFFFAOYSA-N 1 0 382.556 3.560 20 30 GHEDRO C=C(Cn1c(CC2CC2)nnc1N1CCC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC001301011469 1046290152 /nfs/dbraw/zinc/29/01/52/1046290152.db2.gz XLOJGLICERDAPK-UHFFFAOYSA-N 1 0 379.552 3.865 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001301080979 1046325897 /nfs/dbraw/zinc/32/58/97/1046325897.db2.gz YPHHOLHJYIAGRZ-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001301113811 1046350110 /nfs/dbraw/zinc/35/01/10/1046350110.db2.gz GYXGEZHPOUCCBU-UHFFFAOYSA-N 1 0 397.567 3.944 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001301135704 1046365489 /nfs/dbraw/zinc/36/54/89/1046365489.db2.gz OQVDLXKSGOYABI-LJQANCHMSA-N 1 0 375.561 3.651 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001301271169 1046442448 /nfs/dbraw/zinc/44/24/48/1046442448.db2.gz XLWMNJJNYRJGAB-LJQANCHMSA-N 1 0 383.540 3.840 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001301273319 1046444567 /nfs/dbraw/zinc/44/45/67/1046444567.db2.gz QJEAMHWPUNXAHR-WOJBJXKFSA-N 1 0 397.567 3.999 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001301283208 1046452843 /nfs/dbraw/zinc/45/28/43/1046452843.db2.gz SINUTRTWMKNKRO-WZONZLPQSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCn1c(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nnc1C(C)(C)CC#N ZINC001262968588 1046457761 /nfs/dbraw/zinc/45/77/61/1046457761.db2.gz IARRKBHSRGMZDB-UHFFFAOYSA-N 1 0 398.477 3.508 20 30 GHEDRO C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC[N@H+]1CCC ZINC001301305196 1046466200 /nfs/dbraw/zinc/46/62/00/1046466200.db2.gz ROMZBDFZUFGTTK-FQEVSTJZSA-N 1 0 397.567 3.971 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001301379572 1046515968 /nfs/dbraw/zinc/51/59/68/1046515968.db2.gz OYQKRVAWAOBDEN-SFHVURJKSA-N 1 0 393.535 3.616 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CC[NH+]1CCCCC1 ZINC001301405554 1046528458 /nfs/dbraw/zinc/52/84/58/1046528458.db2.gz STQUBGQIEYHROE-UHFFFAOYSA-N 1 0 383.515 3.672 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C12CCC2 ZINC001301546919 1046591234 /nfs/dbraw/zinc/59/12/34/1046591234.db2.gz KSGSXKKUOSZUHY-FCHUYYIVSA-N 1 0 389.499 3.740 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC[C@@H](C)C1 ZINC001263278678 1046671322 /nfs/dbraw/zinc/67/13/22/1046671322.db2.gz ONQMAXAHOYWSSO-UYAOXDASSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001263335957 1046720935 /nfs/dbraw/zinc/72/09/35/1046720935.db2.gz WSZGJTNOFMAAMG-UHFFFAOYSA-N 1 0 395.555 3.546 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263345790 1046729189 /nfs/dbraw/zinc/72/91/89/1046729189.db2.gz XFQYZZDVLOIOAX-QGZVFWFLSA-N 1 0 377.602 3.633 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001263347398 1046729951 /nfs/dbraw/zinc/72/99/51/1046729951.db2.gz OMPFLLCRLZQXPH-IBGZPJMESA-N 1 0 398.555 3.766 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC001301880634 1046743220 /nfs/dbraw/zinc/74/32/20/1046743220.db2.gz KLTZYWOTNJWGBZ-NQIIRXRSSA-N 1 0 386.499 3.805 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C#N)n2CC2CC2)CC1 ZINC001263675189 1047038880 /nfs/dbraw/zinc/03/88/80/1047038880.db2.gz LJIURUTYNAPYBC-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000593292380 1047329534 /nfs/dbraw/zinc/32/95/34/1047329534.db2.gz BLAGNTDWVNLXED-HSZRJFAPSA-N 1 0 388.515 3.899 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCCC2)C1)[NH+](C)C ZINC001303699254 1047484896 /nfs/dbraw/zinc/48/48/96/1047484896.db2.gz GZFNSDFQJNZDND-KRWDZBQOSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001265828971 1047680683 /nfs/dbraw/zinc/68/06/83/1047680683.db2.gz WUEYBBPWDZUGPG-JOCHJYFZSA-N 1 0 378.516 3.917 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305024145 1047840160 /nfs/dbraw/zinc/84/01/60/1047840160.db2.gz WRQNQIXUIMYHTB-ROUUACIJSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001305074886 1047876289 /nfs/dbraw/zinc/87/62/89/1047876289.db2.gz ZFFYXCSTYVZYPL-MOPGFXCFSA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104250 1047904799 /nfs/dbraw/zinc/90/47/99/1047904799.db2.gz CXVLVMBELRNWLP-LJQANCHMSA-N 1 0 380.540 3.805 20 30 GHEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001305150807 1047918261 /nfs/dbraw/zinc/91/82/61/1047918261.db2.gz VIPHQEBZFHIWOO-OALUTQOASA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001279831566 1047962730 /nfs/dbraw/zinc/96/27/30/1047962730.db2.gz KSIRAZLLMUDDFR-GUDVDZBRSA-N 1 0 380.598 3.566 20 30 GHEDRO CCCCCCCCNC(=S)N1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279924975 1047989491 /nfs/dbraw/zinc/98/94/91/1047989491.db2.gz YUGUDDDGMYPOIW-UHFFFAOYSA-N 1 0 382.662 3.571 20 30 GHEDRO C=CCCCNC(=S)N1CCC2(CC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001279937206 1047994704 /nfs/dbraw/zinc/99/47/04/1047994704.db2.gz VAPSDOLCNYRFBF-UHFFFAOYSA-N 1 0 378.611 3.580 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286274153 1048247297 /nfs/dbraw/zinc/24/72/97/1048247297.db2.gz LFKIPOFBAPRNJM-IAGOWNOFSA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001286283667 1048253550 /nfs/dbraw/zinc/25/35/50/1048253550.db2.gz YRBRZAZLIRYYRB-AEFFLSMTSA-N 1 0 393.491 3.735 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286284797 1048254241 /nfs/dbraw/zinc/25/42/41/1048254241.db2.gz FXJHZRPSXYJEIR-WIYYLYMNSA-N 1 0 390.535 3.814 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286292501 1048259064 /nfs/dbraw/zinc/25/90/64/1048259064.db2.gz ZFDUEVLTRGUGPG-IRXDYDNUSA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001286303762 1048265447 /nfs/dbraw/zinc/26/54/47/1048265447.db2.gz CURDKGDXKRWZSP-QZTJIDSGSA-N 1 0 397.592 3.819 20 30 GHEDRO CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)C1 ZINC001305869091 1048275754 /nfs/dbraw/zinc/27/57/54/1048275754.db2.gz PLJYYVHSNFFBGC-JOCHJYFZSA-N 1 0 378.524 3.539 20 30 GHEDRO C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001286369884 1048293400 /nfs/dbraw/zinc/29/34/00/1048293400.db2.gz CPSCXEJDZFAAOH-SFHVURJKSA-N 1 0 390.535 3.760 20 30 GHEDRO C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC1CC[NH+](CC)CC1 ZINC001286370254 1048293469 /nfs/dbraw/zinc/29/34/69/1048293469.db2.gz IZKUNUJCWAIKDG-UHFFFAOYSA-N 1 0 390.535 3.618 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001286370600 1048294619 /nfs/dbraw/zinc/29/46/19/1048294619.db2.gz WTPFVSNEFWJIQT-LJQANCHMSA-N 1 0 394.548 3.554 20 30 GHEDRO C#CCN(C)c1nnc(CC2CCCC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286378692 1048300185 /nfs/dbraw/zinc/30/01/85/1048300185.db2.gz UZSXBDMUJIAIPW-UHFFFAOYSA-N 1 0 391.563 3.529 20 30 GHEDRO C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001286379218 1048300306 /nfs/dbraw/zinc/30/03/06/1048300306.db2.gz KIRIWSGZVWWQLW-JOCHJYFZSA-N 1 0 391.563 3.540 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001305920346 1048312776 /nfs/dbraw/zinc/31/27/76/1048312776.db2.gz MLQIZDOTBSNPKY-XLIONFOSSA-N 1 0 380.540 3.730 20 30 GHEDRO C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286442482 1048324211 /nfs/dbraw/zinc/32/42/11/1048324211.db2.gz AYRXMUUKNVSPOA-GOSISDBHSA-N 1 0 390.535 3.618 20 30 GHEDRO C#CCN(CC)c1nnc(C2CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001286443273 1048325389 /nfs/dbraw/zinc/32/53/89/1048325389.db2.gz DJFALFPTIOVNBC-OAQYLSRUSA-N 1 0 377.536 3.761 20 30 GHEDRO C#CCN(CC)c1nnc(CC)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001286446307 1048326276 /nfs/dbraw/zinc/32/62/76/1048326276.db2.gz HAGZRXWEWXQVMP-PZJWPPBQSA-N 1 0 379.552 3.601 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001286517395 1048344902 /nfs/dbraw/zinc/34/49/02/1048344902.db2.gz QZTRJSPCZFZOIM-WMZHIEFXSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCC[NH+](CC)CC ZINC001286520424 1048347722 /nfs/dbraw/zinc/34/77/22/1048347722.db2.gz JNLWUEBHZPCXQF-HSZRJFAPSA-N 1 0 395.551 3.678 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)C[NH+](C)C ZINC001286569585 1048368272 /nfs/dbraw/zinc/36/82/72/1048368272.db2.gz VNZKHDHNBXIHSW-UHFFFAOYSA-N 1 0 385.556 3.944 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCC[NH+]1CCCCC1 ZINC001286579485 1048373175 /nfs/dbraw/zinc/37/31/75/1048373175.db2.gz QVEQTNLOCDSCDJ-UHFFFAOYSA-N 1 0 382.556 3.542 20 30 GHEDRO C=C(Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC001286620027 1048391591 /nfs/dbraw/zinc/39/15/91/1048391591.db2.gz ZBIJYESQFRLNBX-IRFCIJBXSA-N 1 0 395.551 3.762 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286625262 1048395745 /nfs/dbraw/zinc/39/57/45/1048395745.db2.gz CNWPLVDSDBTYBB-UHFFFAOYSA-N 1 0 389.931 3.673 20 30 GHEDRO C=C(Cl)Cn1c(CC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286629939 1048398716 /nfs/dbraw/zinc/39/87/16/1048398716.db2.gz OKVBZDPLPPMMAD-UHFFFAOYSA-N 1 0 379.980 3.930 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001286667169 1048433199 /nfs/dbraw/zinc/43/31/99/1048433199.db2.gz PPYCNPDULBJPNZ-KRWDZBQOSA-N 1 0 397.571 3.819 20 30 GHEDRO C=CCC(C)(C)Cn1c(COCC)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286676319 1048439162 /nfs/dbraw/zinc/43/91/62/1048439162.db2.gz JKIVOXXMLSWBJZ-GOSISDBHSA-N 1 0 389.588 3.728 20 30 GHEDRO C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001286683810 1048445369 /nfs/dbraw/zinc/44/53/69/1048445369.db2.gz BJVOMFADFSNHQR-AZUAARDMSA-N 1 0 395.551 3.983 20 30 GHEDRO C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286687594 1048448501 /nfs/dbraw/zinc/44/85/01/1048448501.db2.gz PXQGBJGBELLSLA-UHFFFAOYSA-N 1 0 382.556 3.972 20 30 GHEDRO C=CCCCn1c(CCc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001286704089 1048462595 /nfs/dbraw/zinc/46/25/95/1048462595.db2.gz ZGUDVCZEJKAZOA-PZJWPPBQSA-N 1 0 379.552 3.702 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[NH+](C(C)C)C(C)C ZINC001286721248 1048477261 /nfs/dbraw/zinc/47/72/61/1048477261.db2.gz PTIORCRYJFGJMG-UHFFFAOYSA-N 1 0 380.540 3.948 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286725510 1048483454 /nfs/dbraw/zinc/48/34/54/1048483454.db2.gz VBHVNTFAYRQJOX-LEWJYISDSA-N 1 0 397.567 3.877 20 30 GHEDRO C=CCN(C)c1nnc(CC2CCCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001286730296 1048488845 /nfs/dbraw/zinc/48/88/45/1048488845.db2.gz RAYWBMMKAFBFOR-QZTJIDSGSA-N 1 0 389.588 3.521 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CC1([NH+](C)C)CCC1 ZINC001286742337 1048500689 /nfs/dbraw/zinc/50/06/89/1048500689.db2.gz JRICSQVPJKQFSX-UHFFFAOYSA-N 1 0 392.551 3.950 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001286766955 1048517752 /nfs/dbraw/zinc/51/77/52/1048517752.db2.gz ZONYYRRBRXFHRW-LJQANCHMSA-N 1 0 385.556 3.789 20 30 GHEDRO C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001286769517 1048518809 /nfs/dbraw/zinc/51/88/09/1048518809.db2.gz ZDRVYJMJISPIOP-UHFFFAOYSA-N 1 0 391.604 3.628 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCCC2)C1 ZINC001286806551 1048532216 /nfs/dbraw/zinc/53/22/16/1048532216.db2.gz DFQYOSYPNMGUQP-LJQANCHMSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCCC2)C1 ZINC001286806549 1048532759 /nfs/dbraw/zinc/53/27/59/1048532759.db2.gz DFQYOSYPNMGUQP-IBGZPJMESA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCSCCn1c(C2CC2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001286830193 1048539110 /nfs/dbraw/zinc/53/91/10/1048539110.db2.gz JTHIFQIERZCZBD-UHFFFAOYSA-N 1 0 389.613 3.777 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286964042 1048556080 /nfs/dbraw/zinc/55/60/80/1048556080.db2.gz ABTRHFHWZRQAJS-QAPCUYQASA-N 1 0 396.470 3.576 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001287400007 1048758131 /nfs/dbraw/zinc/75/81/31/1048758131.db2.gz NLMDOZHVFNIUBE-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)C#N ZINC001306683344 1048810810 /nfs/dbraw/zinc/81/08/10/1048810810.db2.gz RXORRLABTCQUJA-MRXNPFEDSA-N 1 0 388.947 3.926 20 30 GHEDRO CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001306691632 1048817763 /nfs/dbraw/zinc/81/77/63/1048817763.db2.gz ZRRGDHCIBWXQKG-KRWDZBQOSA-N 1 0 380.540 3.926 20 30 GHEDRO CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001306792106 1048896706 /nfs/dbraw/zinc/89/67/06/1048896706.db2.gz ZAVYXPKZYLZQBO-IBGZPJMESA-N 1 0 392.507 3.949 20 30 GHEDRO CCc1nc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC001306968760 1048984553 /nfs/dbraw/zinc/98/45/53/1048984553.db2.gz QPWMTVZRHNECNV-OAHLLOKOSA-N 1 0 375.398 3.616 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001307043374 1049037896 /nfs/dbraw/zinc/03/78/96/1049037896.db2.gz JNKGDELNMHNOQE-XMSQKQJNSA-N 1 0 386.588 3.729 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001288507510 1049118483 /nfs/dbraw/zinc/11/84/83/1049118483.db2.gz NLKGIDDQFZJQQL-YJBOKZPZSA-N 1 0 386.519 3.756 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1F ZINC001307198057 1049132691 /nfs/dbraw/zinc/13/26/91/1049132691.db2.gz HOGPPBYZIQHITI-QGZVFWFLSA-N 1 0 381.411 3.634 20 30 GHEDRO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3ncc(C#N)c3[nH]2)cc1 ZINC001307418464 1049258309 /nfs/dbraw/zinc/25/83/09/1049258309.db2.gz JHFIJCZLNOCYRJ-IBGZPJMESA-N 1 0 375.476 3.941 20 30 GHEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC001307421205 1049260948 /nfs/dbraw/zinc/26/09/48/1049260948.db2.gz VSYPUIRLAJTHDO-SFHVURJKSA-N 1 0 383.879 3.866 20 30 GHEDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccccc1C#N ZINC001307433283 1049271177 /nfs/dbraw/zinc/27/11/77/1049271177.db2.gz GXBXUIUDOOVABT-GOSISDBHSA-N 1 0 378.394 3.839 20 30 GHEDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccccc1C#N ZINC001307433284 1049271333 /nfs/dbraw/zinc/27/13/33/1049271333.db2.gz GXBXUIUDOOVABT-SFHVURJKSA-N 1 0 378.394 3.839 20 30 GHEDRO CC1(C#N)CCN(c2nnc(C3CCCC3)n2CC[NH+]2CCCCCC2)CC1 ZINC001288985962 1049276422 /nfs/dbraw/zinc/27/64/22/1049276422.db2.gz HTHBCJHZBNKUFY-UHFFFAOYSA-N 1 0 384.572 3.942 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC001307503242 1049345651 /nfs/dbraw/zinc/34/56/51/1049345651.db2.gz GEVDWYXAENFNTR-HSZRJFAPSA-N 1 0 376.500 3.759 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001307511485 1049355216 /nfs/dbraw/zinc/35/52/16/1049355216.db2.gz OBKJCYHUSZZVCY-FXAWDEMLSA-N 1 0 387.524 3.952 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](CC)C2)c1 ZINC001307521849 1049365822 /nfs/dbraw/zinc/36/58/22/1049365822.db2.gz YCDJRGVOWABOGL-DENIHFKCSA-N 1 0 389.499 3.832 20 30 GHEDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307561349 1049403179 /nfs/dbraw/zinc/40/31/79/1049403179.db2.gz HGJGNUYKINDCKI-OAHLLOKOSA-N 1 0 386.483 3.637 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C#N)c2)c(Br)c1 ZINC001307609431 1049447733 /nfs/dbraw/zinc/44/77/33/1049447733.db2.gz ALJNNMSILRMVNE-KZULUSFZSA-N 1 0 375.266 3.714 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CCC1 ZINC001307673531 1049495399 /nfs/dbraw/zinc/49/53/99/1049495399.db2.gz YUTMALTYLORQPZ-PZJWPPBQSA-N 1 0 392.478 3.951 20 30 GHEDRO Cc1ccc([C@@H](Cn2c(C3CC3)nnc2N(CCC#N)CC2CC2)[NH+](C)C)cc1 ZINC001289481237 1049507296 /nfs/dbraw/zinc/50/72/96/1049507296.db2.gz BWJKKAHTKJVVQE-OAQYLSRUSA-N 1 0 392.551 3.897 20 30 GHEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1C#N ZINC001307693143 1049510786 /nfs/dbraw/zinc/51/07/86/1049510786.db2.gz BWJWZIAARDBOJT-KRWDZBQOSA-N 1 0 383.517 3.600 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC001307696918 1049515637 /nfs/dbraw/zinc/51/56/37/1049515637.db2.gz QFUDEMYGTKLECD-BJKOFHAPSA-N 1 0 375.516 3.958 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)C1 ZINC001307830963 1049621437 /nfs/dbraw/zinc/62/14/37/1049621437.db2.gz QNGUXNTWODUKJZ-UXHICEINSA-N 1 0 384.524 3.955 20 30 GHEDRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001307837935 1049625099 /nfs/dbraw/zinc/62/50/99/1049625099.db2.gz OUVWPOYNYYCJSY-JALFLYODSA-N 1 0 377.573 3.878 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC001289797741 1049632455 /nfs/dbraw/zinc/63/24/55/1049632455.db2.gz OCOWKCIIMUUCCX-AVRDEDQJSA-N 1 0 379.504 3.915 20 30 GHEDRO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001307956804 1049721648 /nfs/dbraw/zinc/72/16/48/1049721648.db2.gz FNWUAZMWOWOLAP-QFIPXVFZSA-N 1 0 376.504 3.883 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290110739 1049734735 /nfs/dbraw/zinc/73/47/35/1049734735.db2.gz GQXJYCPZUMOFSI-FQEVSTJZSA-N 1 0 394.567 3.970 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001308016686 1049766869 /nfs/dbraw/zinc/76/68/69/1049766869.db2.gz OYAGBFTVGCAPEG-UHFFFAOYSA-N 1 0 398.510 3.830 20 30 GHEDRO C=CCC1(O)CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC001308087983 1049834383 /nfs/dbraw/zinc/83/43/83/1049834383.db2.gz BVLUBNVGPNDKEO-UHFFFAOYSA-N 1 0 396.453 3.599 20 30 GHEDRO CCO[C@H](C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CC1 ZINC001308125786 1049870250 /nfs/dbraw/zinc/87/02/50/1049870250.db2.gz YSXDCUMGAILGPZ-GARJFASQSA-N 1 0 381.307 3.904 20 30 GHEDRO C=CCCC[N@@H+](CC)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC001308135408 1049877233 /nfs/dbraw/zinc/87/72/33/1049877233.db2.gz XSVFUBWHRFYZBU-INIZCTEOSA-N 1 0 383.414 3.581 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 ZINC001290587927 1049883337 /nfs/dbraw/zinc/88/33/37/1049883337.db2.gz ZRWGPWKLFMMLOM-GOSISDBHSA-N 1 0 379.504 3.853 20 30 GHEDRO CN(C)[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)c1ccc(F)cc1 ZINC001308208014 1049913012 /nfs/dbraw/zinc/91/30/12/1049913012.db2.gz YQKIYEYSWVTYDT-GOSISDBHSA-N 1 0 376.273 3.852 20 30 GHEDRO Cc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001290759990 1049918986 /nfs/dbraw/zinc/91/89/86/1049918986.db2.gz OBTMRKICDLABCQ-JOCHJYFZSA-N 1 0 392.551 3.629 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC001308227335 1049919700 /nfs/dbraw/zinc/91/97/00/1049919700.db2.gz DPJNTZUVQKJYSU-UHFFFAOYSA-N 1 0 397.950 3.654 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001308421240 1049971927 /nfs/dbraw/zinc/97/19/27/1049971927.db2.gz BFLMGQGURGZEHL-LJQANCHMSA-N 1 0 384.524 3.503 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)c2c1 ZINC001306935263 1049972801 /nfs/dbraw/zinc/97/28/01/1049972801.db2.gz MMDMQSSRKFUNAE-BQFCYCMXSA-N 1 0 394.519 3.965 20 30 GHEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308888823 1050141142 /nfs/dbraw/zinc/14/11/42/1050141142.db2.gz VZTXCNJLAPATOY-KSSFIOAISA-N 1 0 376.294 3.998 20 30 GHEDRO COc1ccc(N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)c(OC)c1 ZINC001308906827 1050154794 /nfs/dbraw/zinc/15/47/94/1050154794.db2.gz KRYSFERTJVXWTH-UHFFFAOYSA-N 1 0 379.504 3.827 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccccc1CC#N ZINC001309086998 1050337658 /nfs/dbraw/zinc/33/76/58/1050337658.db2.gz FJAJFIPUFKEXIE-GHTZIAJQSA-N 1 0 397.544 3.599 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001309639284 1050887991 /nfs/dbraw/zinc/88/79/91/1050887991.db2.gz FPCSBBNZJMZVJI-JOCHJYFZSA-N 1 0 384.545 3.748 20 30 GHEDRO Cc1cc(NC2CCN(c3ccc(C#N)cc3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001329737292 1050898529 /nfs/dbraw/zinc/89/85/29/1050898529.db2.gz YFFKFXXBKBHPCO-UHFFFAOYSA-N 1 0 389.547 3.699 20 30 GHEDRO C[C@]12CN(C(=O)Nc3ccc(OCC#N)cc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001310035464 1051113552 /nfs/dbraw/zinc/11/35/52/1051113552.db2.gz ANNXGDSMSXMVPA-XXBNENTESA-N 1 0 390.487 3.575 20 30 GHEDRO COc1cc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c(F)cc1C#N ZINC001311032882 1051789492 /nfs/dbraw/zinc/78/94/92/1051789492.db2.gz CJIWVGWXNXUJQR-UHFFFAOYSA-N 1 0 388.487 3.874 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)n3)cc2)C1 ZINC001311157969 1051913037 /nfs/dbraw/zinc/91/30/37/1051913037.db2.gz NVTXCJMKUMWLKO-HDICACEKSA-N 1 0 391.519 3.947 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC001311357048 1052054417 /nfs/dbraw/zinc/05/44/17/1052054417.db2.gz BPHYBGVVTQHGAU-PMACEKPBSA-N 1 0 399.579 3.777 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)N[C@H]3C[C@@](C[NH3+])(c4ccccc4)C3)CC2)cc1 ZINC001336210009 1052239409 /nfs/dbraw/zinc/23/94/09/1052239409.db2.gz BKIVULCFWLHREZ-QUPDYRNUSA-N 1 0 388.515 3.506 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001336224069 1052240490 /nfs/dbraw/zinc/24/04/90/1052240490.db2.gz SCZINAMGHKUQAT-ZPFZUWPUSA-N 1 0 388.515 3.527 20 30 GHEDRO C#CCN(C(=O)NCCSCc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC001311694639 1052337052 /nfs/dbraw/zinc/33/70/52/1052337052.db2.gz OFQBVEFFOVFDCW-UHFFFAOYSA-N 1 0 395.572 3.812 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC3(C4CC[NH2+]CC4)CC3)c2)s1 ZINC001336831644 1052345308 /nfs/dbraw/zinc/34/53/08/1052345308.db2.gz NUVNAVCHTYWMEO-UHFFFAOYSA-N 1 0 380.517 3.618 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC001311797471 1052405744 /nfs/dbraw/zinc/40/57/44/1052405744.db2.gz OSDMKZLBAUOYFL-SFHVURJKSA-N 1 0 377.488 3.937 20 30 GHEDRO C=CCCC(C)(C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311825053 1052422833 /nfs/dbraw/zinc/42/28/33/1052422833.db2.gz YSMULCDVCXHDLG-INIZCTEOSA-N 1 0 376.520 3.683 20 30 GHEDRO N#Cc1ccc(NCC2CC[NH+](C3CCOCC3)CC2)c(F)c1Br ZINC001337208044 1052424533 /nfs/dbraw/zinc/42/45/33/1052424533.db2.gz LXGDDXLWFWXOGJ-UHFFFAOYSA-N 1 0 396.304 3.763 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cnn(Cc3ccccc3)c2)C(C)C)CC1 ZINC001311893948 1052462474 /nfs/dbraw/zinc/46/24/74/1052462474.db2.gz NOIYBZNJUCNRPP-UHFFFAOYSA-N 1 0 395.551 3.502 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001311903904 1052466514 /nfs/dbraw/zinc/46/65/14/1052466514.db2.gz HEDOXCGKCUMIBO-GOSISDBHSA-N 1 0 392.975 3.896 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001311998926 1052521599 /nfs/dbraw/zinc/52/15/99/1052521599.db2.gz ZJTSYLKMCABNJP-GAJHUEQPSA-N 1 0 388.515 3.550 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001312128869 1052588933 /nfs/dbraw/zinc/58/89/33/1052588933.db2.gz LKLYIYAWVGZJQH-PGRDOPGGSA-N 1 0 376.504 3.577 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC001312351822 1052708472 /nfs/dbraw/zinc/70/84/72/1052708472.db2.gz DUYPKFHDFWJITD-UHFFFAOYSA-N 1 0 395.478 3.557 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001312884273 1052902235 /nfs/dbraw/zinc/90/22/35/1052902235.db2.gz ILUGFXPJSODXEU-HSZRJFAPSA-N 1 0 388.515 3.853 20 30 GHEDRO CN(C(=O)NCC#CC[NH+](C)C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001313439774 1053054804 /nfs/dbraw/zinc/05/48/04/1053054804.db2.gz SHGHFJJVQAIEOE-ROUUACIJSA-N 1 0 381.442 3.548 20 30 GHEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCC1)C(C)C ZINC001313586463 1053117528 /nfs/dbraw/zinc/11/75/28/1053117528.db2.gz WYPNDSWURVVBCC-UHFFFAOYSA-N 1 0 380.540 3.926 20 30 GHEDRO C=C(C)Cn1c([C@H]2CN3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343456 1053118531 /nfs/dbraw/zinc/11/85/31/1053118531.db2.gz KPGPYTCXFQNBDT-SLYNCCJLSA-N 1 0 393.535 3.861 20 30 GHEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC001313590506 1053119401 /nfs/dbraw/zinc/11/94/01/1053119401.db2.gz RVIWRCMCLQLENP-SFHVURJKSA-N 1 0 380.540 3.783 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001342368478 1053132267 /nfs/dbraw/zinc/13/22/67/1053132267.db2.gz PTDSAXMXYYPEFU-SFHVURJKSA-N 1 0 375.586 3.529 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C[NH+](C)C ZINC001313760695 1053209176 /nfs/dbraw/zinc/20/91/76/1053209176.db2.gz QZQLFAKMMVRRFV-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342826388 1053376454 /nfs/dbraw/zinc/37/64/54/1053376454.db2.gz CZLDIHWDSFKWET-IBGZPJMESA-N 1 0 375.561 3.797 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001342891794 1053414881 /nfs/dbraw/zinc/41/48/81/1053414881.db2.gz VNXAPSGCGAEGHZ-SLFFLAALSA-N 1 0 384.572 3.654 20 30 GHEDRO CCn1c(N(C)C[C@H](C)C#N)nnc1[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001343003184 1053491070 /nfs/dbraw/zinc/49/10/70/1053491070.db2.gz XOPRQPRAZWGQNT-CBGDNZLLSA-N 1 0 384.503 3.526 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)[C@@H](C)O)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001343072385 1053533482 /nfs/dbraw/zinc/53/34/82/1053533482.db2.gz QNOMAVGQXCLZIE-MOPGFXCFSA-N 1 0 389.588 3.573 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)[NH+](C)C)C1CC1 ZINC001314647801 1053548781 /nfs/dbraw/zinc/54/87/81/1053548781.db2.gz FPLNXXZVCOWGTM-LJQANCHMSA-N 1 0 392.532 3.780 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CC[NH+]1CCCC1 ZINC001314740962 1053583527 /nfs/dbraw/zinc/58/35/27/1053583527.db2.gz HSZMVPXAEBLDMN-UHFFFAOYSA-N 1 0 378.524 3.540 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001343342901 1053717095 /nfs/dbraw/zinc/71/70/95/1053717095.db2.gz DIKDQZKZJLYYEC-SFTDATJTSA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001343496360 1053813598 /nfs/dbraw/zinc/81/35/98/1053813598.db2.gz ZBJSQECWGGYYSA-IRXDYDNUSA-N 1 0 381.515 3.925 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001343743721 1053995896 /nfs/dbraw/zinc/99/58/96/1053995896.db2.gz ARIAXAFYRKHHFN-UHFFFAOYSA-N 1 0 380.949 3.552 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001343993605 1054168732 /nfs/dbraw/zinc/16/87/32/1054168732.db2.gz IEYHDFSJJYBQAP-UHFFFAOYSA-N 1 0 398.555 3.910 20 30 GHEDRO N#C[C@]1(F)CCN(c2nnc(-c3ccccc3)n2CCCCC[NH+]2CCCC2)C1 ZINC001316527581 1054216010 /nfs/dbraw/zinc/21/60/10/1054216010.db2.gz NKMBAKGKIPISKG-JOCHJYFZSA-N 1 0 396.514 3.653 20 30 GHEDRO C#CC[NH+]1CCC(OC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001344373954 1054396921 /nfs/dbraw/zinc/39/69/21/1054396921.db2.gz XOHNTDDOUHRRKV-UHFFFAOYSA-N 1 0 386.492 3.607 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001344396218 1054422825 /nfs/dbraw/zinc/42/28/25/1054422825.db2.gz GJCWBTSQNMXYMB-HMXCVIKNSA-N 1 0 392.551 3.662 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001318454738 1054651881 /nfs/dbraw/zinc/65/18/81/1054651881.db2.gz LOTIQYVGFMEYRW-MOPGFXCFSA-N 1 0 379.464 3.740 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001318671992 1054788202 /nfs/dbraw/zinc/78/82/02/1054788202.db2.gz RGHMTQQLHAHDFQ-YADHBBJMSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001345248660 1054959216 /nfs/dbraw/zinc/95/92/16/1054959216.db2.gz UAVMTRHNDPMTFE-UHFFFAOYSA-N 1 0 377.419 3.660 20 30 GHEDRO C#CC[N@@H+](C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)CC1CC1 ZINC001319552938 1055321256 /nfs/dbraw/zinc/32/12/56/1055321256.db2.gz YDQSFXVJXVNQGD-JOCHJYFZSA-N 1 0 385.454 3.777 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC001320013925 1055597563 /nfs/dbraw/zinc/59/75/63/1055597563.db2.gz NPNXJMVTIRRGGS-UHFFFAOYSA-N 1 0 379.909 3.609 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC001320035355 1055611425 /nfs/dbraw/zinc/61/14/25/1055611425.db2.gz XNRYEXVHMZXRID-JQVVWYNYSA-N 1 0 385.552 3.651 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC001320037464 1055613008 /nfs/dbraw/zinc/61/30/08/1055613008.db2.gz FLMDPGZQHZLZHH-RBZQAINGSA-N 1 0 381.516 3.739 20 30 GHEDRO N#Cc1ccccc1COc1cccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001320326752 1055754813 /nfs/dbraw/zinc/75/48/13/1055754813.db2.gz IMBGPVJNVPRGQY-NRFANRHFSA-N 1 0 386.455 3.996 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC001320897021 1056005143 /nfs/dbraw/zinc/00/51/43/1056005143.db2.gz HEOYIBYLIAMEAR-JOCHJYFZSA-N 1 0 393.531 3.902 20 30 GHEDRO C#CCN(C)c1nnc(C2CCC2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001300457320 1056164486 /nfs/dbraw/zinc/16/44/86/1056164486.db2.gz AZWKECQQSMUXBR-NRFANRHFSA-N 1 0 377.536 3.526 20 30 GHEDRO C=CC[C@@H](NC1CC[NH+](Cc2ccccc2Br)CC1)C(=O)OCC ZINC001321965022 1056461512 /nfs/dbraw/zinc/46/15/12/1056461512.db2.gz CESYOIQNLIICAJ-GOSISDBHSA-N 1 0 395.341 3.511 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCc1ccccc1 ZINC001354643889 1056852707 /nfs/dbraw/zinc/85/27/07/1056852707.db2.gz FMSXSMQXGJDZJE-IBGZPJMESA-N 1 0 392.551 3.603 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492496270 1057043610 /nfs/dbraw/zinc/04/36/10/1057043610.db2.gz QSQFFGIQTYDDDF-MOPGFXCFSA-N 1 0 395.555 3.507 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)C1 ZINC001324329751 1057113093 /nfs/dbraw/zinc/11/30/93/1057113093.db2.gz FGXYTXGRQIARKC-KOENEWCDSA-N 1 0 395.934 3.927 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848527901 1057150849 /nfs/dbraw/zinc/15/08/49/1057150849.db2.gz HMKBBZRIVVVFRD-ZDUSSCGKSA-N 1 0 383.330 3.854 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848527900 1057150910 /nfs/dbraw/zinc/15/09/10/1057150910.db2.gz HMKBBZRIVVVFRD-CYBMUJFWSA-N 1 0 383.330 3.854 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001356006996 1057353873 /nfs/dbraw/zinc/35/38/73/1057353873.db2.gz VNASOJYKSABENG-CQSZACIVSA-N 1 0 392.960 3.553 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2OCCCC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001356040220 1057366383 /nfs/dbraw/zinc/36/63/83/1057366383.db2.gz CXFJPSZWCLFIKN-PMACEKPBSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCC[C@H](C(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC001325882500 1057379502 /nfs/dbraw/zinc/37/95/02/1057379502.db2.gz XWKJTXIZIGJYHD-QFIPXVFZSA-N 1 0 377.532 3.805 20 30 GHEDRO C=C(C)Cn1c(COCC2CC2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001356210655 1057431044 /nfs/dbraw/zinc/43/10/44/1057431044.db2.gz NPZWUTQUBHVQGO-UHFFFAOYSA-N 1 0 387.572 3.626 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nnc1C(F)(F)c1ccccc1 ZINC001356362656 1057488963 /nfs/dbraw/zinc/48/89/63/1057488963.db2.gz WMWJCOJQAUKXBF-SJLPKXTDSA-N 1 0 387.478 3.525 20 30 GHEDRO CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001356396651 1057500517 /nfs/dbraw/zinc/50/05/17/1057500517.db2.gz OSXSCBIZGZVXQK-UHFFFAOYSA-N 1 0 380.540 3.588 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000849071041 1057580927 /nfs/dbraw/zinc/58/09/27/1057580927.db2.gz IJLZTJLRALBLSP-UHFFFAOYSA-N 1 0 392.547 3.923 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H]4CCCC[C@@H]4C3)CC2)c1 ZINC001327281382 1057632545 /nfs/dbraw/zinc/63/25/45/1057632545.db2.gz BWXJISIOVQDSIO-NHCUHLMSSA-N 1 0 380.536 3.744 20 30 GHEDRO CC[C@@H](CNC(=O)[C@H](C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001441233764 1058729413 /nfs/dbraw/zinc/72/94/13/1058729413.db2.gz AOYGJICSTCSXRC-JPYJTQIMSA-N 1 0 375.516 3.690 20 30 GHEDRO C=CCn1c([C@@H]2CN(C(C)C)CCO2)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001338693164 1058734644 /nfs/dbraw/zinc/73/46/44/1058734644.db2.gz KPXSZAGMQGYJHY-YYWHXJBOSA-N 1 0 393.535 3.685 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001339413227 1059188422 /nfs/dbraw/zinc/18/84/22/1059188422.db2.gz HKQSYLNZJPPGEG-MRXNPFEDSA-N 1 0 393.626 3.645 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001339497343 1059255660 /nfs/dbraw/zinc/25/56/60/1059255660.db2.gz CLBIMHICTVVIFQ-CTNGQTDRSA-N 1 0 392.551 3.625 20 30 GHEDRO CCn1c([C@H](C)Cc2ccc(C#N)cc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001340093404 1059688578 /nfs/dbraw/zinc/68/85/78/1059688578.db2.gz GCZBXVRRIGLRIY-GOSISDBHSA-N 1 0 394.567 3.826 20 30 GHEDRO C=CCn1c([C@@H](C)c2ccccn2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001340410858 1059917174 /nfs/dbraw/zinc/91/71/74/1059917174.db2.gz ANHXXPBKKIQZTB-IBGZPJMESA-N 1 0 394.567 3.856 20 30 GHEDRO C=CCn1c([C@@H](O)/C=C\CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001340517606 1059959735 /nfs/dbraw/zinc/95/97/35/1059959735.db2.gz XLJUJOQYODQBOA-ABMFHFBKSA-N 1 0 387.572 3.699 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2C#N)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001340584599 1059986129 /nfs/dbraw/zinc/98/61/29/1059986129.db2.gz WXVDJRSZLGSGCL-PMACEKPBSA-N 1 0 384.572 3.676 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001340635381 1060008493 /nfs/dbraw/zinc/00/84/93/1060008493.db2.gz MHZVTNIZDRJAMA-LAUBAEHRSA-N 1 0 393.535 3.861 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC2(CCCC2)C1 ZINC001340636754 1060009164 /nfs/dbraw/zinc/00/91/64/1060009164.db2.gz SMANOBXTCVIOSC-HXUWFJFHSA-N 1 0 399.583 3.941 20 30 GHEDRO C=CCn1c(-c2sc(C)nc2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001340697580 1060057660 /nfs/dbraw/zinc/05/76/60/1060057660.db2.gz MRBGSALZNFYQAM-QGZVFWFLSA-N 1 0 386.569 3.517 20 30 GHEDRO C#CC[C@H](CC)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccccc1 ZINC001340705014 1060062703 /nfs/dbraw/zinc/06/27/03/1060062703.db2.gz WWBLCPPDFHCBRF-FQEVSTJZSA-N 1 0 379.552 3.810 20 30 GHEDRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001448135454 1060116544 /nfs/dbraw/zinc/11/65/44/1060116544.db2.gz PWDIQIBFFMYPKX-UHFFFAOYSA-N 1 0 379.460 3.647 20 30 GHEDRO C=CCn1c([C@H](OC)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001340782999 1060122626 /nfs/dbraw/zinc/12/26/26/1060122626.db2.gz LAAWCBPCLUVUHS-QGZVFWFLSA-N 1 0 389.569 3.572 20 30 GHEDRO C#C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC001450267320 1060565901 /nfs/dbraw/zinc/56/59/01/1060565901.db2.gz BKVJVSMNZPKROD-GOSISDBHSA-N 1 0 375.310 3.504 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)COc2ccccc2C#N)[NH+](C)C)cc1 ZINC001450786126 1060686546 /nfs/dbraw/zinc/68/65/46/1060686546.db2.gz MDRYRAKQYVVQNU-NRFANRHFSA-N 1 0 379.504 3.555 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001341901724 1060944471 /nfs/dbraw/zinc/94/44/71/1060944471.db2.gz FACXOEINLYMLRS-QZTJIDSGSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001341945831 1060962986 /nfs/dbraw/zinc/96/29/86/1060962986.db2.gz AFPGUKVWTLBURT-FQEVSTJZSA-N 1 0 395.551 3.589 20 30 GHEDRO C=C(C)Cn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CC2CC1(C)C2 ZINC001341992474 1060985750 /nfs/dbraw/zinc/98/57/50/1060985750.db2.gz KOOPJHRYQWJABV-UHFFFAOYSA-N 1 0 398.555 3.512 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001342011995 1060995047 /nfs/dbraw/zinc/99/50/47/1060995047.db2.gz YRIQJJURJQRRIV-UHFFFAOYSA-N 1 0 381.515 3.754 20 30 GHEDRO C#CC1CCC(c2nnc(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)n2CC=C)CC1 ZINC001342038509 1061013962 /nfs/dbraw/zinc/01/39/62/1061013962.db2.gz QYXHSGIILJDKNN-VKNHOLBOSA-N 1 0 381.568 3.538 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)C(C)(C)O)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001342120885 1061069162 /nfs/dbraw/zinc/06/91/62/1061069162.db2.gz GHZRUYGDLDQAHV-RTBURBONSA-N 1 0 397.567 3.612 20 30 GHEDRO O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001454670259 1061906707 /nfs/dbraw/zinc/90/67/07/1061906707.db2.gz SOESOIWSFKNOEM-OWSFEGEDSA-N 1 0 394.490 3.969 20 30 GHEDRO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492780129 1061918320 /nfs/dbraw/zinc/91/83/20/1061918320.db2.gz CPIFGBWRCHDOJE-HDICACEKSA-N 1 0 394.567 3.851 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)o2)C(F)(F)F)c1 ZINC001455093991 1062001031 /nfs/dbraw/zinc/00/10/31/1062001031.db2.gz SDGMLNOGCLOYIW-QGZVFWFLSA-N 1 0 377.366 3.780 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C12CCC[NH+]1CCC2 ZINC001434998772 1062200768 /nfs/dbraw/zinc/20/07/68/1062200768.db2.gz WMTYQLOFAGKQDC-UHFFFAOYSA-N 1 0 381.289 3.731 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)CC1 ZINC001455939049 1062360865 /nfs/dbraw/zinc/36/08/65/1062360865.db2.gz APSODMIGMZAOBK-UHFFFAOYSA-N 1 0 392.528 3.531 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)C1C=CC(=NC(C)=O)C=C1)C(=S)NC1CCC1 ZINC001347600094 1062517908 /nfs/dbraw/zinc/51/79/08/1062517908.db2.gz HMCMEQWALHSMBB-UHFFFAOYSA-O 1 0 396.536 3.660 20 30 GHEDRO C=C[C@H](CC)CC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001456522344 1062731437 /nfs/dbraw/zinc/73/14/37/1062731437.db2.gz ZYQIIEIDEQGUQP-OAHLLOKOSA-N 1 0 383.458 3.676 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001348257981 1062968708 /nfs/dbraw/zinc/96/87/08/1062968708.db2.gz BACRHRSYKRUFQI-QFIPXVFZSA-N 1 0 392.503 3.963 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001348494008 1063134228 /nfs/dbraw/zinc/13/42/28/1063134228.db2.gz AAQYGGAMQBODRG-UHFFFAOYSA-N 1 0 377.492 3.542 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2c(C)cc(C)cc2c1O)C(C)C ZINC001457534529 1063228425 /nfs/dbraw/zinc/22/84/25/1063228425.db2.gz TVIXPCQVKGTESY-FQEVSTJZSA-N 1 0 381.520 3.573 20 30 GHEDRO C#CCOCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC001457614749 1063278905 /nfs/dbraw/zinc/27/89/05/1063278905.db2.gz WPQZZDGTHVSHKC-LJQANCHMSA-N 1 0 399.362 3.948 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC001436211779 1063295032 /nfs/dbraw/zinc/29/50/32/1063295032.db2.gz KDBAHBGRQZTNLC-MRXNPFEDSA-N 1 0 384.277 3.781 20 30 GHEDRO CCc1nnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C#N)c1CC ZINC001458173154 1063628164 /nfs/dbraw/zinc/62/81/64/1063628164.db2.gz ZYSVDPCRBCBTLI-MRXNPFEDSA-N 1 0 399.926 3.909 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)c(C#N)c(C)c3)c(C)c2)CC1 ZINC001350135726 1064000377 /nfs/dbraw/zinc/00/03/77/1064000377.db2.gz ZKJGDQSONCRCLQ-UHFFFAOYSA-N 1 0 376.504 3.878 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC001459413069 1064090158 /nfs/dbraw/zinc/09/01/58/1064090158.db2.gz MBIAEXGQVTZXTI-LJQANCHMSA-N 1 0 398.551 3.717 20 30 GHEDRO CC(C)(C)[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC001459676017 1064163972 /nfs/dbraw/zinc/16/39/72/1064163972.db2.gz GSZOVGZSOHVHRW-HXUWFJFHSA-N 1 0 378.447 3.802 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC001459750208 1064199765 /nfs/dbraw/zinc/19/97/65/1064199765.db2.gz OCTNKGJCKGXYIK-HSZRJFAPSA-N 1 0 397.478 3.890 20 30 GHEDRO CC[N@H+](CCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 ZINC001464021141 1064774009 /nfs/dbraw/zinc/77/40/09/1064774009.db2.gz XNXFZMPDHHRZKH-UHFFFAOYSA-N 1 0 383.945 3.535 20 30 GHEDRO CCc1ccc(C#CC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC001464328370 1064956658 /nfs/dbraw/zinc/95/66/58/1064956658.db2.gz DBRCAIQCZSNGIO-QHCPKHFHSA-N 1 0 390.527 3.953 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)c1 ZINC001464791093 1065213298 /nfs/dbraw/zinc/21/32/98/1065213298.db2.gz RVUDTDKNXJTHSR-UHFFFAOYSA-N 1 0 394.475 3.511 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001352894563 1065425924 /nfs/dbraw/zinc/42/59/24/1065425924.db2.gz GDXKZGGZFDZLNX-GBESFXJTSA-N 1 0 395.551 3.696 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc3c(Br)cccc23)CC1 ZINC001465396966 1065586065 /nfs/dbraw/zinc/58/60/65/1065586065.db2.gz WAIJSTAHXCTCMN-UHFFFAOYSA-N 1 0 385.305 3.820 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492557126 1065657608 /nfs/dbraw/zinc/65/76/08/1065657608.db2.gz APIWOESWVKHSFZ-MOPGFXCFSA-N 1 0 394.567 3.971 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001465576778 1065725225 /nfs/dbraw/zinc/72/52/25/1065725225.db2.gz LEZKOOLDPKZOSE-OAQYLSRUSA-N 1 0 392.503 3.568 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001465768970 1065841554 /nfs/dbraw/zinc/84/15/54/1065841554.db2.gz FIKUBYZNHAJZDO-IFMALSPDSA-N 1 0 389.499 3.694 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[N@H+]1CCC ZINC001300313204 1065972083 /nfs/dbraw/zinc/97/20/83/1065972083.db2.gz CWJXHIUWSKJUHT-FPOVZHCZSA-N 1 0 379.552 3.510 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300316715 1065979050 /nfs/dbraw/zinc/97/90/50/1065979050.db2.gz BZOHRAUTMHMKMD-NHCUHLMSSA-N 1 0 393.579 3.643 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)c3cccc(C#CCO)c3)c2)CC1 ZINC001466120896 1065988976 /nfs/dbraw/zinc/98/89/76/1065988976.db2.gz BHHRHUNKVGRVLK-UHFFFAOYSA-N 1 0 376.500 3.557 20 30 GHEDRO CC(C)[C@H](CNC(=O)c1ccc(Br)cc1C#N)[NH+]1CCC(C)CC1 ZINC001353513843 1065990708 /nfs/dbraw/zinc/99/07/08/1065990708.db2.gz FVMOFCHZQUDCCV-SFHVURJKSA-N 1 0 392.341 3.807 20 30 GHEDRO Cc1c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000847745324 1066010488 /nfs/dbraw/zinc/01/04/88/1066010488.db2.gz GMAJYKBYEZYRQU-UHFFFAOYSA-N 1 0 394.519 3.909 20 30 GHEDRO N#CC1(COC(=O)CSc2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847745942 1066019152 /nfs/dbraw/zinc/01/91/52/1066019152.db2.gz SIGSYNUHYUQCKQ-UHFFFAOYSA-N 1 0 381.501 3.523 20 30 GHEDRO N#CC1(COC(=O)CCC(=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748496 1066029564 /nfs/dbraw/zinc/02/95/64/1066029564.db2.gz AUXMEQBSQFSSKE-UHFFFAOYSA-N 1 0 390.483 3.999 20 30 GHEDRO CC(=O)c1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847748100 1066030941 /nfs/dbraw/zinc/03/09/41/1066030941.db2.gz XOIGHMKLKBLOOU-UHFFFAOYSA-N 1 0 376.456 3.852 20 30 GHEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001300349704 1066068113 /nfs/dbraw/zinc/06/81/13/1066068113.db2.gz XVWNPXJFJKABJX-IBGZPJMESA-N 1 0 379.552 3.841 20 30 GHEDRO N#Cc1cc(Cc2ccccc2)sc1NC(=S)NCC[NH+]1CCCCC1 ZINC001200419011 1066143630 /nfs/dbraw/zinc/14/36/30/1066143630.db2.gz PVNCMHHHCZMRPI-UHFFFAOYSA-N 1 0 384.574 3.983 20 30 GHEDRO C#CCCCn1c(-c2cccc(OC)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001300391974 1066196112 /nfs/dbraw/zinc/19/61/12/1066196112.db2.gz WVYULHRDHQABOE-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C#N ZINC001467577024 1067368125 /nfs/dbraw/zinc/36/81/25/1067368125.db2.gz HDTIZCHLFXUHFN-SFHVURJKSA-N 1 0 398.532 3.900 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)[NH+](CC)CC ZINC001358881585 1067593828 /nfs/dbraw/zinc/59/38/28/1067593828.db2.gz JDNXSUIXUUNPCV-ZWKOTPCHSA-N 1 0 390.535 3.682 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCC[N@H+]1CCC ZINC001358893126 1067599570 /nfs/dbraw/zinc/59/95/70/1067599570.db2.gz OCUMOPPHGXDXPV-RBBKRZOGSA-N 1 0 393.579 3.900 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001358895307 1067601726 /nfs/dbraw/zinc/60/17/26/1067601726.db2.gz GZFFXTGTXBGMEM-IRLDBZIGSA-N 1 0 393.579 3.643 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@@H+](C)[C@H](C)CC ZINC001358897339 1067603358 /nfs/dbraw/zinc/60/33/58/1067603358.db2.gz XGWZXGRMOZQJCN-WOJBJXKFSA-N 1 0 397.567 3.662 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001358993443 1067639805 /nfs/dbraw/zinc/63/98/05/1067639805.db2.gz NJXNWVFFVXNOMZ-NRFANRHFSA-N 1 0 381.568 3.663 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccn2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359006504 1067648868 /nfs/dbraw/zinc/64/88/68/1067648868.db2.gz XMCLTCCSLCPITQ-PMACEKPBSA-N 1 0 394.567 3.558 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)[NH+](C)C ZINC001359111224 1067690450 /nfs/dbraw/zinc/69/04/50/1067690450.db2.gz SIFYDYDCKGDCNC-QGZVFWFLSA-N 1 0 380.540 3.789 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359112555 1067691226 /nfs/dbraw/zinc/69/12/26/1067691226.db2.gz MRQPNIDPZLMOQK-WOJBJXKFSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359162982 1067718576 /nfs/dbraw/zinc/71/85/76/1067718576.db2.gz MVXNLDFCSXISCC-BGYRXZFFSA-N 1 0 394.567 3.865 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001359168145 1067722777 /nfs/dbraw/zinc/72/27/77/1067722777.db2.gz JFYYCKHELXBHPV-UHFFFAOYSA-N 1 0 397.567 3.910 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359190086 1067756817 /nfs/dbraw/zinc/75/68/17/1067756817.db2.gz DKZNHEBBRXCDON-UHFFFAOYSA-N 1 0 396.583 3.644 20 30 GHEDRO C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001359199280 1067766384 /nfs/dbraw/zinc/76/63/84/1067766384.db2.gz QMPYURHVLIZGFQ-KRWDZBQOSA-N 1 0 398.511 3.740 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001468596346 1067785091 /nfs/dbraw/zinc/78/50/91/1067785091.db2.gz JRGAWXVUBBMYTE-LJQANCHMSA-N 1 0 389.540 3.657 20 30 GHEDRO C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359219952 1067798126 /nfs/dbraw/zinc/79/81/26/1067798126.db2.gz JPHONBVBUOFLRH-UHFFFAOYSA-N 1 0 383.540 3.662 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+]1CC ZINC001359230907 1067832136 /nfs/dbraw/zinc/83/21/36/1067832136.db2.gz IVVXCUBPGOYHMM-AEFFLSMTSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccn2C)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001359237054 1067843686 /nfs/dbraw/zinc/84/36/86/1067843686.db2.gz JXIVERHCIUDWFW-GOSISDBHSA-N 1 0 382.512 3.582 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359241983 1067852595 /nfs/dbraw/zinc/85/25/95/1067852595.db2.gz KOFKUTRSHCSDOH-GOSISDBHSA-N 1 0 385.531 3.895 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359242289 1067852650 /nfs/dbraw/zinc/85/26/50/1067852650.db2.gz XJQRRAVPEXRNQV-LJQANCHMSA-N 1 0 399.558 3.998 20 30 GHEDRO C=CCN(c1nnc([C@@H](C)CC)n1CC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC001359246003 1067871534 /nfs/dbraw/zinc/87/15/34/1067871534.db2.gz MGLMTGOHOVYKRH-KRWDZBQOSA-N 1 0 389.588 3.836 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC001359249013 1067895038 /nfs/dbraw/zinc/89/50/38/1067895038.db2.gz KWOANVCSCWVEBQ-LJQANCHMSA-N 1 0 394.567 3.863 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001359249491 1067897085 /nfs/dbraw/zinc/89/70/85/1067897085.db2.gz CPFZGWOMBZFYJS-IBGZPJMESA-N 1 0 380.540 3.678 20 30 GHEDRO C=CC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccncc1 ZINC001468885043 1067918394 /nfs/dbraw/zinc/91/83/94/1067918394.db2.gz QZIRFQAGUYDKHE-VJBWXMMDSA-N 1 0 390.531 3.862 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)[NH+](C)C ZINC001359267323 1067930397 /nfs/dbraw/zinc/93/03/97/1067930397.db2.gz CDQQCGVADUBLGW-GOSISDBHSA-N 1 0 390.535 3.930 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359269421 1067934915 /nfs/dbraw/zinc/93/49/15/1067934915.db2.gz AREUWFHZFLIVCG-GOSISDBHSA-N 1 0 383.515 3.995 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359277512 1067947429 /nfs/dbraw/zinc/94/74/29/1067947429.db2.gz NYNYQHGIORYFOM-MOPGFXCFSA-N 1 0 385.556 3.789 20 30 GHEDRO C=CCn1c(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)nnc1C1(c2ccccc2)CCC1 ZINC001359290087 1067989521 /nfs/dbraw/zinc/98/95/21/1067989521.db2.gz HBMWILMEJSLDFI-OALUTQOASA-N 1 0 379.552 3.853 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)cc1F ZINC001469322252 1068102065 /nfs/dbraw/zinc/10/20/65/1068102065.db2.gz COKCUKDXJRBXEW-SFTDATJTSA-N 1 0 381.426 3.718 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001360472236 1068520834 /nfs/dbraw/zinc/52/08/34/1068520834.db2.gz ZCYJKLWZBUWFQF-WMZOPIPTSA-N 1 0 396.514 3.839 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CC1([NH+](C)C)CCCC1 ZINC001360479358 1068526015 /nfs/dbraw/zinc/52/60/15/1068526015.db2.gz VASDSJSAICHTSW-INIZCTEOSA-N 1 0 386.569 3.543 20 30 GHEDRO C[C@@H](CCn1c(C2CC2)nnc1N1CC[C@](F)(C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001360509541 1068537416 /nfs/dbraw/zinc/53/74/16/1068537416.db2.gz UWMAKWXPGFXALS-JTSKRJEESA-N 1 0 396.514 3.508 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC)c2cccnc12 ZINC001460087013 1068772986 /nfs/dbraw/zinc/77/29/86/1068772986.db2.gz WTJLFSKEXFATPR-UHFFFAOYSA-N 1 0 380.444 3.685 20 30 GHEDRO C=CCCC[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC001460145148 1068811827 /nfs/dbraw/zinc/81/18/27/1068811827.db2.gz INGXSYKBNFVMKT-QHCPKHFHSA-N 1 0 377.532 3.628 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CCOC)Cc2ccc(F)c(Cl)c2)cc1 ZINC001460249866 1068884990 /nfs/dbraw/zinc/88/49/90/1068884990.db2.gz BZLVTOITOJEPCK-UHFFFAOYSA-N 1 0 388.870 3.938 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001460258483 1068889628 /nfs/dbraw/zinc/88/96/28/1068889628.db2.gz MOPGOSAJULARFW-SJORKVTESA-N 1 0 385.508 3.719 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460280304 1068904511 /nfs/dbraw/zinc/90/45/11/1068904511.db2.gz TWNJNQIZWJKACD-LLBVYWAGSA-N 1 0 399.535 3.967 20 30 GHEDRO Cc1ccc(F)cc1NC(=O)CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC001460618788 1069035638 /nfs/dbraw/zinc/03/56/38/1069035638.db2.gz KBFXUJYVUDKGLC-UHFFFAOYSA-N 1 0 381.451 3.630 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H]2CSC[C@@H]2C1 ZINC001460655691 1069061500 /nfs/dbraw/zinc/06/15/00/1069061500.db2.gz RLTAQHSUAMLTGE-ILXRZTDVSA-N 1 0 389.590 3.901 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC001478471827 1078882350 /nfs/dbraw/zinc/88/23/50/1078882350.db2.gz GDNFJPOLMZFESX-FOIQADDNSA-N 1 0 386.446 3.897 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](c2ccccc2)CC1 ZINC001460952030 1069294131 /nfs/dbraw/zinc/29/41/31/1069294131.db2.gz SLNWBPGPBARKII-KXBFYZLASA-N 1 0 395.528 3.899 20 30 GHEDRO C[C@@H]1CCC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC001478549054 1078913755 /nfs/dbraw/zinc/91/37/55/1078913755.db2.gz LOVADYQBNOSALG-XQBPLPMBSA-N 1 0 382.552 3.848 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)CC1 ZINC001478576839 1078922834 /nfs/dbraw/zinc/92/28/34/1078922834.db2.gz CXQQAJLVPATEKY-IBGZPJMESA-N 1 0 391.515 3.723 20 30 GHEDRO C#Cc1cccc(CNC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001470512227 1072602509 /nfs/dbraw/zinc/60/25/09/1072602509.db2.gz YAIPSWBUMGVOQI-HSZRJFAPSA-N 1 0 375.516 3.912 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccc(Cl)cc1 ZINC001470663038 1072675312 /nfs/dbraw/zinc/67/53/12/1072675312.db2.gz OFQTZXPDUGAXOP-LEWJYISDSA-N 1 0 381.907 3.896 20 30 GHEDRO C[C@H]1CCC[C@@H](C2CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C2)C1 ZINC001470672541 1072680664 /nfs/dbraw/zinc/68/06/64/1072680664.db2.gz VAWGKCSCGKPPCW-GHTZIAJQSA-N 1 0 394.563 3.990 20 30 GHEDRO C=CCC[C@@H](C(=O)N1CC[NH2+][C@@H](Cc2cccc(OC)c2)C1)c1ccccc1 ZINC001470732345 1072711395 /nfs/dbraw/zinc/71/13/95/1072711395.db2.gz SFCAIZKVYDHSKD-JTHBVZDNSA-N 1 0 378.516 3.788 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001471227430 1072974670 /nfs/dbraw/zinc/97/46/70/1072974670.db2.gz PXYSRUIJEDUTFY-IBGZPJMESA-N 1 0 383.442 3.821 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1)c1ccccc1 ZINC001478897038 1079019138 /nfs/dbraw/zinc/01/91/38/1079019138.db2.gz RWBJJXCUVQKCGG-DHIUTWEWSA-N 1 0 375.516 3.913 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c(N)c2C#N)C1 ZINC001472656313 1073599236 /nfs/dbraw/zinc/59/92/36/1073599236.db2.gz ODBZQHNIWRWRRF-HNNXBMFYSA-N 1 0 379.464 3.893 20 30 GHEDRO N#Cc1cc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ncc1Br ZINC001472781097 1073662410 /nfs/dbraw/zinc/66/24/10/1073662410.db2.gz GIQGRMJDGWRGSF-FQEVSTJZSA-N 1 0 397.320 3.818 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001472881786 1073710979 /nfs/dbraw/zinc/71/09/79/1073710979.db2.gz YOPFSBPDNADVBX-SJORKVTESA-N 1 0 386.421 3.930 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H]3Cc3ccc(F)cc3)C2=O)cc1 ZINC001473117693 1073789278 /nfs/dbraw/zinc/78/92/78/1073789278.db2.gz YHOPDBBLIPAYEO-FGZHOGPDSA-N 1 0 377.463 3.900 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001473134982 1073798289 /nfs/dbraw/zinc/79/82/89/1073798289.db2.gz LPEINBRITGMNEH-QWFCFKBJSA-N 1 0 399.535 3.804 20 30 GHEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473220397 1073868679 /nfs/dbraw/zinc/86/86/79/1073868679.db2.gz GUHNUEMRLKFDJN-OFNKIYASSA-N 1 0 388.515 3.784 20 30 GHEDRO C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001473476325 1073982066 /nfs/dbraw/zinc/98/20/66/1073982066.db2.gz FRQHHCBIAWTGFB-QGZVFWFLSA-N 1 0 396.922 3.604 20 30 GHEDRO CCc1csc(CC2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)n1 ZINC001473593580 1074037081 /nfs/dbraw/zinc/03/70/81/1074037081.db2.gz AIEGEHPGUPKVKR-UHFFFAOYSA-N 1 0 385.533 3.919 20 30 GHEDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](C[C@H](O)c2cccc(C#N)c2)[C@@H]1C ZINC001473595033 1074038523 /nfs/dbraw/zinc/03/85/23/1074038523.db2.gz MUCBPJCOMJXICI-SMOSDQRPSA-N 1 0 387.524 3.605 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC001473684456 1074084812 /nfs/dbraw/zinc/08/48/12/1074084812.db2.gz BFSDRMRZRNOUTK-JKSUJKDBSA-N 1 0 392.459 3.828 20 30 GHEDRO Cc1ccc(-c2noc([C@H](C)N3CCN(c4ccc(C#N)cc4)CC3)n2)cc1F ZINC001473726079 1074110115 /nfs/dbraw/zinc/11/01/15/1074110115.db2.gz RBGBEXIDDQZIPH-INIZCTEOSA-N 1 0 391.450 3.939 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473731432 1074113777 /nfs/dbraw/zinc/11/37/77/1074113777.db2.gz BXRYXFNQEFZTDN-SFHVURJKSA-N 1 0 379.287 3.779 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CCCOC1 ZINC001473747614 1074121008 /nfs/dbraw/zinc/12/10/08/1074121008.db2.gz RWFVVMYJVOMQCW-DAYGRLMNSA-N 1 0 389.565 3.868 20 30 GHEDRO COC(=O)C(C)(C)C[N@@H+](Cc1ccc(C#N)cc1Br)CC(C)C ZINC001473753777 1074123788 /nfs/dbraw/zinc/12/37/88/1074123788.db2.gz HUKYAYVYTJXPKN-UHFFFAOYSA-N 1 0 381.314 3.978 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@]2(C)CCOc3ccccc32)c1C ZINC001473824147 1074160700 /nfs/dbraw/zinc/16/07/00/1074160700.db2.gz ZSRQRHHVBFXIAI-QHCPKHFHSA-N 1 0 377.488 3.838 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)n1 ZINC001473824406 1074160958 /nfs/dbraw/zinc/16/09/58/1074160958.db2.gz IBOMCAZJWMIYGO-LJQANCHMSA-N 1 0 396.560 3.880 20 30 GHEDRO CC[C@@]1(C(=O)OC(C)(C)C)CCCN([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847249 1074172840 /nfs/dbraw/zinc/17/28/40/1074172840.db2.gz FSFIWKBPPMXYKG-PGRDOPGGSA-N 1 0 386.492 3.606 20 30 GHEDRO N#Cc1cc(F)ccc1CN1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001473851650 1074175418 /nfs/dbraw/zinc/17/54/18/1074175418.db2.gz KTGJTRHKUFGJOU-IBGZPJMESA-N 1 0 389.268 3.943 20 30 GHEDRO COc1ccc(C[NH2+]C[C@](O)(c2ccccc2Cl)C(F)(F)F)cc1C#N ZINC001474306957 1074333308 /nfs/dbraw/zinc/33/33/08/1074333308.db2.gz LUDBDNOEVMIYDT-KRWDZBQOSA-N 1 0 384.785 3.760 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493506517 1079274547 /nfs/dbraw/zinc/27/45/47/1079274547.db2.gz FGFHFDBSSKYQBA-JBYIUTFZSA-N 1 0 397.571 3.532 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493696967 1079288480 /nfs/dbraw/zinc/28/84/80/1079288480.db2.gz LVOBJCBWQTXBFE-MOPGFXCFSA-N 1 0 390.535 3.703 20 30 GHEDRO CCCCCCCS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001475650482 1074992811 /nfs/dbraw/zinc/99/28/11/1074992811.db2.gz VKFKPDWORNAUAO-RTWAWAEBSA-N 1 0 378.582 3.741 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001460974764 1069309795 /nfs/dbraw/zinc/30/97/95/1069309795.db2.gz RYRHLMBCKQGFLQ-WOJBJXKFSA-N 1 0 387.524 3.703 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000737491784 600567131 /nfs/dbraw/zinc/56/71/31/600567131.db2.gz JNEDFECBLFZVDU-JOCHJYFZSA-N 1 0 377.488 3.528 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164387138 718814258 /nfs/dbraw/zinc/81/42/58/718814258.db2.gz DFLQFMALMBZNPG-ZDUSSCGKSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164387137 718814335 /nfs/dbraw/zinc/81/43/35/718814335.db2.gz DFLQFMALMBZNPG-CYBMUJFWSA-N 1 0 394.775 3.662 20 30 GHEDRO CCCc1cc(C#N)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164724701 720397880 /nfs/dbraw/zinc/39/78/80/720397880.db2.gz KWTQQDLOAKJIKC-RTBURBONSA-N 1 0 381.911 3.807 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@@H]21 ZINC001165022139 721802309 /nfs/dbraw/zinc/80/23/09/721802309.db2.gz HZXIFAYJOWSYEO-XKGZKEIXSA-N 1 0 381.911 3.739 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049974 721968029 /nfs/dbraw/zinc/96/80/29/721968029.db2.gz WXVVXYMXZZPLOT-MRXNPFEDSA-N 1 0 390.915 3.628 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000163556009 837734726 /nfs/dbraw/zinc/73/47/26/837734726.db2.gz MMWPBUQNUDWTKI-QFIPXVFZSA-N 1 0 391.519 3.913 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000579697289 834394725 /nfs/dbraw/zinc/39/47/25/834394725.db2.gz YDAJWAUQNCRNHA-CVDCTZTESA-N 1 0 393.531 3.961 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](c4ccncc4)C3)sc2C1 ZINC000577505436 834398298 /nfs/dbraw/zinc/39/82/98/834398298.db2.gz IIRGSPPHXHJESM-WBVHZDCISA-N 1 0 394.544 3.958 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000579707921 834417164 /nfs/dbraw/zinc/41/71/64/834417164.db2.gz COTYXXSQCSYPBK-LLVKDONJSA-N 1 0 379.283 3.532 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245455908 834601581 /nfs/dbraw/zinc/60/15/81/834601581.db2.gz BAQDYNKZCNOCNF-ZSFCQPBGSA-N 1 0 387.545 3.585 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)c1ccccc1 ZINC000246855603 834657017 /nfs/dbraw/zinc/65/70/17/834657017.db2.gz ARDHYXIEWGMKCY-LEWJYISDSA-N 1 0 395.503 3.895 20 30 GHEDRO CCn1c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)nc2ccccc21 ZINC000092854533 834690489 /nfs/dbraw/zinc/69/04/89/834690489.db2.gz VGCGDRYODVDJEH-UHFFFAOYSA-N 1 0 375.476 3.803 20 30 GHEDRO CCCc1c(NC(=O)N(CCC)C2CC[NH2+]CC2)cnn1-c1cccc(C#N)c1 ZINC000415579765 837811596 /nfs/dbraw/zinc/81/15/96/837811596.db2.gz QQPQYHUUOMIYFW-UHFFFAOYSA-N 1 0 394.523 3.692 20 30 GHEDRO C[C@H]1CN([C@@H](C[NH2+]Cc2ccc(C#N)s2)c2c(F)cccc2Cl)CCO1 ZINC000176948159 837815095 /nfs/dbraw/zinc/81/50/95/837815095.db2.gz YNQCVARXMQSDRR-UGSOOPFHSA-N 1 0 393.915 3.964 20 30 GHEDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001167677394 834906330 /nfs/dbraw/zinc/90/63/30/834906330.db2.gz PFHJSFWRUPWYQE-UHFFFAOYSA-N 1 0 394.482 3.683 20 30 GHEDRO O[C@H](CC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000685458183 835023493 /nfs/dbraw/zinc/02/34/93/835023493.db2.gz QTHBNHJNDUXZKY-GHMZBOCLSA-N 1 0 399.253 3.962 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](Oc2ccncc2)C1 ZINC000431593861 835065386 /nfs/dbraw/zinc/06/53/86/835065386.db2.gz ABAXFTOHTXNKSP-WMZOPIPTSA-N 1 0 396.516 3.568 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000611938803 835083136 /nfs/dbraw/zinc/08/31/36/835083136.db2.gz YSDLDSNZRBOVPS-QFIPXVFZSA-N 1 0 376.504 3.704 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@@H]2C2CCC2)c1=S ZINC000728198794 835098685 /nfs/dbraw/zinc/09/86/85/835098685.db2.gz HEGGRJKLOPBGRZ-LJQANCHMSA-N 1 0 389.613 3.850 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000579821400 835124324 /nfs/dbraw/zinc/12/43/24/835124324.db2.gz UFLJWVGPYHJWIX-PMACEKPBSA-N 1 0 397.567 3.826 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000429939459 844046738 /nfs/dbraw/zinc/04/67/38/844046738.db2.gz GIFNAPGHYKKYLG-GOSISDBHSA-N 1 0 377.513 3.984 20 30 GHEDRO COc1cccc(/C=N\CCCOC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000254974002 835463348 /nfs/dbraw/zinc/46/33/48/835463348.db2.gz FVTNVNOEBGDZKA-ULJHMMPZSA-N 1 0 382.504 3.891 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101860 835476876 /nfs/dbraw/zinc/47/68/76/835476876.db2.gz UKHRFPGPGLTUOJ-LSTHTHJFSA-N 1 0 377.448 3.574 20 30 GHEDRO CCC(CC)[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)[NH+]1CCCC1 ZINC000278587415 835490530 /nfs/dbraw/zinc/49/05/30/835490530.db2.gz GPEIDYDMLYESQS-JOCHJYFZSA-N 1 0 394.567 3.849 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892430035 835539775 /nfs/dbraw/zinc/53/97/75/835539775.db2.gz YSUFMNMXDHGVJG-GOSISDBHSA-N 1 0 382.533 3.673 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000624987765 835553294 /nfs/dbraw/zinc/55/32/94/835553294.db2.gz UXMPOJCVPARAEA-QKNQBKEWSA-N 1 0 395.551 3.805 20 30 GHEDRO Cc1nc(C(C)C)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000410692528 844065119 /nfs/dbraw/zinc/06/51/19/844065119.db2.gz XQHUPWMNEGSWOS-UHFFFAOYSA-N 1 0 376.504 3.802 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000458796646 835584029 /nfs/dbraw/zinc/58/40/29/835584029.db2.gz QZQXECNYWVKFCU-QHCPKHFHSA-N 1 0 390.531 3.825 20 30 GHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000512526497 844067390 /nfs/dbraw/zinc/06/73/90/844067390.db2.gz HDROJMCPRGAWSY-NRFANRHFSA-N 1 0 395.551 3.870 20 30 GHEDRO CO[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(Cl)cc1 ZINC000278643743 835687659 /nfs/dbraw/zinc/68/76/59/835687659.db2.gz LQJYSFKNEFVMOU-FQEVSTJZSA-N 1 0 395.894 3.989 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@H]2CCCCO2)c1 ZINC000134185885 835699922 /nfs/dbraw/zinc/69/99/22/835699922.db2.gz OGJLFVZLOWSAOG-HXUWFJFHSA-O 1 0 397.564 3.997 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000052873092 835748171 /nfs/dbraw/zinc/74/81/71/835748171.db2.gz UMKJRMPKGZZNGY-UHFFFAOYSA-N 1 0 397.425 3.760 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000278670734 835754175 /nfs/dbraw/zinc/75/41/75/835754175.db2.gz GBEYCNDXXKQVFZ-QGWWYQLQSA-N 1 0 380.891 3.569 20 30 GHEDRO C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C(C)(C)C[NH+](C)C ZINC000120572395 835772106 /nfs/dbraw/zinc/77/21/06/835772106.db2.gz PXTIQEAMDYPNCQ-IPJUCJBFSA-N 1 0 386.540 3.524 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCSCc2ccccc2C#N)nn1 ZINC000892457081 835787758 /nfs/dbraw/zinc/78/77/58/835787758.db2.gz FJNVQHBETINFJK-UHFFFAOYSA-N 1 0 399.520 3.718 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000255013976 835861674 /nfs/dbraw/zinc/86/16/74/835861674.db2.gz BYIBAIJYQAESGF-QNDSBILGSA-N 1 0 396.531 3.749 20 30 GHEDRO C[C@@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1Cl ZINC000278713251 835863043 /nfs/dbraw/zinc/86/30/43/835863043.db2.gz RZHIMAYTPGPKLT-OAQYLSRUSA-N 1 0 395.894 3.509 20 30 GHEDRO CC(C)NC(=O)Nc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000375841011 836050035 /nfs/dbraw/zinc/05/00/35/836050035.db2.gz QTTOMNAHZQYLKP-UHFFFAOYSA-N 1 0 391.519 3.847 20 30 GHEDRO CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579883895 836242146 /nfs/dbraw/zinc/24/21/46/836242146.db2.gz CDKDXORYNABRIQ-OAQYLSRUSA-N 1 0 379.479 3.708 20 30 GHEDRO Cc1ccc(C)c(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065931172 836252536 /nfs/dbraw/zinc/25/25/36/836252536.db2.gz FXJBLZLHDXTQJY-UHFFFAOYSA-N 1 0 391.515 3.728 20 30 GHEDRO Cc1ccc(OCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1C ZINC000065930058 836254874 /nfs/dbraw/zinc/25/48/74/836254874.db2.gz JMIKGZXRVGYFLL-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccc(F)cc1 ZINC000065930133 836255011 /nfs/dbraw/zinc/25/50/11/836255011.db2.gz AIFWPZRICFEEQJ-UHFFFAOYSA-N 1 0 385.508 3.770 20 30 GHEDRO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@]1(O)CCCC[C@H]1CC(=O)OCC ZINC001167116507 836336781 /nfs/dbraw/zinc/33/67/81/836336781.db2.gz QXHKONOLEJNZFB-SIKLNZKXSA-N 1 0 375.509 3.558 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(=Cc3cccc(OC)c3)CC2)CC1 ZINC000471969280 844153052 /nfs/dbraw/zinc/15/30/52/844153052.db2.gz ISFFPNAJEQPQCK-UHFFFAOYSA-N 1 0 383.536 3.925 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000246940367 836359849 /nfs/dbraw/zinc/35/98/49/836359849.db2.gz KQLUXWZLKSXUMY-PZJWPPBQSA-N 1 0 391.515 3.696 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1ccc(C#N)cc1 ZINC000548937057 836365635 /nfs/dbraw/zinc/36/56/35/836365635.db2.gz SHXZRNOVCCJMJU-GFCCVEGCSA-N 1 0 392.322 3.691 20 30 GHEDRO CN(C(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1)c1ccccc1 ZINC000430306301 836430735 /nfs/dbraw/zinc/43/07/35/836430735.db2.gz OQEVAABZXNMYPP-KRWDZBQOSA-N 1 0 398.304 3.806 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000540888946 836490801 /nfs/dbraw/zinc/49/08/01/836490801.db2.gz QKBBRVANGYVLMU-IYBDPMFKSA-N 1 0 389.927 3.563 20 30 GHEDRO C=CCCCCCCC[NH+]1CCC2(CC1)CN(C(=O)c1cccnc1)CCO2 ZINC001209439603 836564120 /nfs/dbraw/zinc/56/41/20/836564120.db2.gz UHZAHCJGMMGCTL-UHFFFAOYSA-N 1 0 385.552 3.915 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN(CC(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000468509632 836615703 /nfs/dbraw/zinc/61/57/03/836615703.db2.gz HFLCXKVPWWRLJX-GOSISDBHSA-N 1 0 384.442 3.940 20 30 GHEDRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000043332146 836651338 /nfs/dbraw/zinc/65/13/38/836651338.db2.gz LWJVIVLMUKPNNA-UHFFFAOYSA-N 1 0 398.894 3.960 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187671344 844188861 /nfs/dbraw/zinc/18/88/61/844188861.db2.gz SNTDCRNGDMUKFX-ICSRJNTNSA-N 1 0 397.544 3.618 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc(OC)c1O ZINC000092854336 836677103 /nfs/dbraw/zinc/67/71/03/836677103.db2.gz OENYKKXDLLWIQZ-UHFFFAOYSA-N 1 0 393.487 3.876 20 30 GHEDRO N#Cc1cccc([C@@H](c2nc(-c3ccc4ccccc4c3)no2)N2CC[NH2+]CC2)c1 ZINC001211640323 836786194 /nfs/dbraw/zinc/78/61/94/836786194.db2.gz HBVXIGZMGZVHNT-QFIPXVFZSA-N 1 0 395.466 3.756 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C#N)c1C ZINC000247096648 836799846 /nfs/dbraw/zinc/79/98/46/836799846.db2.gz WWFYVKRTEQAEJL-AYBZRNKSSA-N 1 0 386.540 3.682 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(OC(F)(F)F)ccc3F)C2)C1=O ZINC001143541183 844217553 /nfs/dbraw/zinc/21/75/53/844217553.db2.gz HOFLHGSPZVNLEN-SFHVURJKSA-N 1 0 386.389 3.725 20 30 GHEDRO N#CC[C@H](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000376135036 836990895 /nfs/dbraw/zinc/99/08/95/836990895.db2.gz QUNYYOJSEWKQIR-JOCHJYFZSA-N 1 0 375.516 3.897 20 30 GHEDRO Cc1cc(Cl)cc(-c2noc([C@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)c1 ZINC001211641074 837107130 /nfs/dbraw/zinc/10/71/30/837107130.db2.gz WLOULXMTNZDHSK-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO Cn1cc(CNc2cccc(OCCC[NH+](C)C)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180327964 837129527 /nfs/dbraw/zinc/12/95/27/837129527.db2.gz MJUOGNXVJQMRJH-UHFFFAOYSA-N 1 0 389.503 3.901 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000579914806 837149074 /nfs/dbraw/zinc/14/90/74/837149074.db2.gz TUZYYFCHBDWIGD-UHFFFAOYSA-N 1 0 378.314 3.513 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2cccc(Br)c2C#N)CC1 ZINC000583057074 837275255 /nfs/dbraw/zinc/27/52/55/837275255.db2.gz BKOBEOWBRJSZQC-UHFFFAOYSA-N 1 0 394.357 3.896 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccnc2ccccc12 ZINC000255884254 837308565 /nfs/dbraw/zinc/30/85/65/837308565.db2.gz SUVRPTIMLNKPTI-QXMHVHEDSA-N 1 0 384.483 3.710 20 30 GHEDRO CS(=O)(=O)C1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000610271100 837316418 /nfs/dbraw/zinc/31/64/18/837316418.db2.gz MTIZJHMTXOOCAF-UHFFFAOYSA-N 1 0 398.528 3.583 20 30 GHEDRO C[N@H+](CCCc1nc(-c2cccs2)no1)CCOCc1ccc(C#N)cc1 ZINC000580240945 837317862 /nfs/dbraw/zinc/31/78/62/837317862.db2.gz YZFWEHNWUIITOJ-UHFFFAOYSA-N 1 0 382.489 3.751 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000559540121 837342500 /nfs/dbraw/zinc/34/25/00/837342500.db2.gz BHXLMNVOQFEIJI-ZDUSSCGKSA-N 1 0 390.409 3.831 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1OC ZINC000582137980 844270715 /nfs/dbraw/zinc/27/07/15/844270715.db2.gz PBPCHJTYLQMSRK-QGZVFWFLSA-N 1 0 379.504 3.765 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCNc2ccc(C(F)(F)F)cn2)cc1 ZINC000728711611 837949544 /nfs/dbraw/zinc/94/95/44/837949544.db2.gz KITPLDGSVOMQOR-AWEZNQCLSA-N 1 0 378.398 3.983 20 30 GHEDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000177574059 837978932 /nfs/dbraw/zinc/97/89/32/837978932.db2.gz VOEJEUQXCRWJJV-UHFFFAOYSA-N 1 0 381.476 3.752 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000121053813 838138875 /nfs/dbraw/zinc/13/88/75/838138875.db2.gz LGCDJZAMLAZONL-UHFFFAOYSA-N 1 0 394.471 3.831 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000178816600 844305212 /nfs/dbraw/zinc/30/52/12/844305212.db2.gz DUUUNUXDUOUGAI-NEQMZLFVSA-N 1 0 397.482 3.854 20 30 GHEDRO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000549802142 844306985 /nfs/dbraw/zinc/30/69/85/844306985.db2.gz STUMVFRNGVFUKW-UHFFFAOYSA-N 1 0 387.487 3.799 20 30 GHEDRO C=CCc1cc(CNC(=O)Nc2ccccc2C[NH2+]CC)cc(OC)c1OC ZINC000415957379 838308409 /nfs/dbraw/zinc/30/84/09/838308409.db2.gz PFNDWRSFPTYHHJ-UHFFFAOYSA-N 1 0 383.492 3.864 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2ccccc2n1CC#N ZINC000610310600 838324944 /nfs/dbraw/zinc/32/49/44/838324944.db2.gz IYNQMYAWBBRBFK-HXUWFJFHSA-N 1 0 386.499 3.759 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000589246740 838352110 /nfs/dbraw/zinc/35/21/10/838352110.db2.gz MPGOHUGWCWOAHD-IBGZPJMESA-N 1 0 398.514 3.713 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000560552254 838390018 /nfs/dbraw/zinc/39/00/18/838390018.db2.gz MHOKYEUUMAJMSC-UHFFFAOYSA-N 1 0 384.867 3.921 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000376595557 838415320 /nfs/dbraw/zinc/41/53/20/838415320.db2.gz OQQZSFHXZWZXFG-NRFANRHFSA-N 1 0 388.515 3.523 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000376596774 838424848 /nfs/dbraw/zinc/42/48/48/838424848.db2.gz WWOCXLABNRFZJR-INIZCTEOSA-N 1 0 382.895 3.928 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000481097458 838521040 /nfs/dbraw/zinc/52/10/40/838521040.db2.gz YFYUIUJSSMAVPY-HNAYVOBHSA-N 1 0 388.556 3.756 20 30 GHEDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H]1C ZINC000188102240 838521532 /nfs/dbraw/zinc/52/15/32/838521532.db2.gz IQBJXTKLGBYAIL-JTSKRJEESA-N 1 0 378.472 3.768 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000610335297 838527490 /nfs/dbraw/zinc/52/74/90/838527490.db2.gz SEJNFZZYWFAXFH-JTSKRJEESA-N 1 0 392.503 3.764 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000103493177 838559212 /nfs/dbraw/zinc/55/92/12/838559212.db2.gz IVTDUAYCSLZFSP-KRWDZBQOSA-N 1 0 382.508 3.729 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000175862816 838600545 /nfs/dbraw/zinc/60/05/45/838600545.db2.gz IDICQNBNEHVZDX-OALUTQOASA-N 1 0 383.517 3.927 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OC ZINC000376650108 838602045 /nfs/dbraw/zinc/60/20/45/838602045.db2.gz BXMLDJDEPDBXPY-UHFFFAOYSA-N 1 0 386.452 3.592 20 30 GHEDRO CC(C)[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@@H]1CCC(=O)N1 ZINC000414557521 838624275 /nfs/dbraw/zinc/62/42/75/838624275.db2.gz LRZJTJCVOGXEDH-NRFANRHFSA-N 1 0 377.488 3.626 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610355621 838651799 /nfs/dbraw/zinc/65/17/99/838651799.db2.gz AQFIDZBGTOSDLG-RBUKOAKNSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000152044076 838657521 /nfs/dbraw/zinc/65/75/21/838657521.db2.gz KLBFZPIVOLFZSW-RTBURBONSA-N 1 0 397.567 3.510 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1OC)C(=S)NCC(F)(F)F ZINC000170637267 838696462 /nfs/dbraw/zinc/69/64/62/838696462.db2.gz NGLRSMQTQVHQIO-UHFFFAOYSA-O 1 0 397.442 3.636 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)s2)cc1 ZINC000414728499 838794900 /nfs/dbraw/zinc/79/49/00/838794900.db2.gz CPSPOZFGCRUPID-GOSISDBHSA-N 1 0 383.521 3.635 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)s2)cc1 ZINC000414728509 838795035 /nfs/dbraw/zinc/79/50/35/838795035.db2.gz CPSPOZFGCRUPID-SFHVURJKSA-N 1 0 383.521 3.635 20 30 GHEDRO N#Cc1csc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000177706631 838834113 /nfs/dbraw/zinc/83/41/13/838834113.db2.gz ASBSBMIOSIRIHA-MRXNPFEDSA-N 1 0 377.416 3.506 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376940554 838848354 /nfs/dbraw/zinc/84/83/54/838848354.db2.gz UYBFZEMUZDIZTH-IEBWSBKVSA-N 1 0 376.504 3.879 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419369961 844386354 /nfs/dbraw/zinc/38/63/54/844386354.db2.gz GRZFVHKYJPIRMU-KRWDZBQOSA-N 1 0 388.581 3.826 20 30 GHEDRO CCC[C@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000182495619 839088604 /nfs/dbraw/zinc/08/86/04/839088604.db2.gz KGRYCPQDELTHFV-FQEVSTJZSA-N 1 0 377.488 3.716 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)Nc1cc(C)ccc1C ZINC000172580162 839110246 /nfs/dbraw/zinc/11/02/46/839110246.db2.gz PHAWGKZGRABXGH-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000415075548 839162629 /nfs/dbraw/zinc/16/26/29/839162629.db2.gz BPUBWICNNSCPFS-KRWDZBQOSA-N 1 0 380.448 3.575 20 30 GHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000415076197 839164505 /nfs/dbraw/zinc/16/45/05/839164505.db2.gz CRGAWDNOMPZMAZ-QGZVFWFLSA-N 1 0 380.448 3.575 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415122471 839242350 /nfs/dbraw/zinc/24/23/50/839242350.db2.gz LQEWGEUTGFDEGS-UHFFFAOYSA-N 1 0 378.476 3.709 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000458170593 844417391 /nfs/dbraw/zinc/41/73/91/844417391.db2.gz PFCGPAYOLXBSTD-IBGZPJMESA-N 1 0 393.535 3.542 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)c1 ZINC000415156890 839298036 /nfs/dbraw/zinc/29/80/36/839298036.db2.gz HANPNMFZNPWAFH-ZLGUVYLKSA-N 1 0 376.460 3.942 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[NH2+]CC2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000415228129 839428417 /nfs/dbraw/zinc/42/84/17/839428417.db2.gz XXEQCXYUDLZIEU-UHFFFAOYSA-N 1 0 390.365 3.806 20 30 GHEDRO C[C@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000174131530 839465518 /nfs/dbraw/zinc/46/55/18/839465518.db2.gz WIBMTOZGVXCZIL-HNNXBMFYSA-N 1 0 385.512 3.751 20 30 GHEDRO C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000549259445 839652702 /nfs/dbraw/zinc/65/27/02/839652702.db2.gz XLULEKQZWYYGFR-UHFFFAOYSA-N 1 0 397.592 3.987 20 30 GHEDRO CC[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2C)CC1 ZINC000330141022 839915339 /nfs/dbraw/zinc/91/53/39/839915339.db2.gz PURWTLORZGPTCL-RXVVDRJESA-N 1 0 382.508 3.699 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000610452175 839975213 /nfs/dbraw/zinc/97/52/13/839975213.db2.gz TZBGWFKBYBQWDS-KRWDZBQOSA-N 1 0 396.922 3.747 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000610452009 839996200 /nfs/dbraw/zinc/99/62/00/839996200.db2.gz QNPWSHNOBOLPMI-OAQYLSRUSA-N 1 0 390.531 3.530 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000247284641 840090650 /nfs/dbraw/zinc/09/06/50/840090650.db2.gz GBVVCEMGCGADCI-HTAPYJJXSA-N 1 0 377.488 3.549 20 30 GHEDRO C[NH+]=C(NCc1ccn(C2CCCC2)n1)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000261766081 844502381 /nfs/dbraw/zinc/50/23/81/844502381.db2.gz NMUOMFODUTWWRA-HRAATJIYSA-N 1 0 399.514 3.675 20 30 GHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000473053613 840123793 /nfs/dbraw/zinc/12/37/93/840123793.db2.gz BDYNIIMMJFATDH-MRXNPFEDSA-N 1 0 398.429 3.542 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000416860220 840227722 /nfs/dbraw/zinc/22/77/22/840227722.db2.gz CCCKOJZYMYRVAE-FQEVSTJZSA-N 1 0 382.533 3.571 20 30 GHEDRO Cc1ccc2c(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)coc2c1 ZINC000053721047 840355345 /nfs/dbraw/zinc/35/53/45/840355345.db2.gz QOFOCFIAXCBHNB-UHFFFAOYSA-N 1 0 387.483 3.890 20 30 GHEDRO [NH2+]=C(NCc1ccccc1-n1cccn1)Nc1ccccc1OC(F)(F)F ZINC000160684058 840406811 /nfs/dbraw/zinc/40/68/11/840406811.db2.gz ZIPUKEVJFWODBA-UHFFFAOYSA-N 1 0 375.354 3.698 20 30 GHEDRO [NH2+]=C(NCc1cccc(Cn2cccn2)c1)Nc1ccccc1OC(F)(F)F ZINC000160687880 840410930 /nfs/dbraw/zinc/41/09/30/840410930.db2.gz XMUJXSMTCIHJGW-UHFFFAOYSA-N 1 0 389.381 3.757 20 30 GHEDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCC(=O)Nc4sc5c(c4C#N)CCCCC5)[C@H]1[C@H]3C2 ZINC000511685218 840519166 /nfs/dbraw/zinc/51/91/66/840519166.db2.gz XKLLRSHCNDAREZ-DNJHYJLBSA-N 1 0 399.560 3.572 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nnc1[C@]1(C)CCCO1 ZINC000651544465 840664540 /nfs/dbraw/zinc/66/45/40/840664540.db2.gz YZRMDWUVMYFORU-OFNKIYASSA-N 1 0 395.551 3.591 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511770228 840696595 /nfs/dbraw/zinc/69/65/95/840696595.db2.gz SJJWEYGTANJLJZ-AVRDEDQJSA-N 1 0 391.515 3.742 20 30 GHEDRO CC(C)[NH+](CCNC(=O)c1cccc(COc2ccccc2C#N)c1)C(C)C ZINC000513134755 844568724 /nfs/dbraw/zinc/56/87/24/844568724.db2.gz BWBJCVYPYVTAJK-UHFFFAOYSA-N 1 0 379.504 3.986 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1)CC2 ZINC000584751069 840764799 /nfs/dbraw/zinc/76/47/99/840764799.db2.gz SZQGLYTUIQMPSI-VQIMIIECSA-N 1 0 385.389 3.959 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001125486925 840838814 /nfs/dbraw/zinc/83/88/14/840838814.db2.gz LNHYSUWAUBKXFV-UHFFFAOYSA-N 1 0 379.529 3.905 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C[NH+]1CCCCC1 ZINC000511628282 840868792 /nfs/dbraw/zinc/86/87/92/840868792.db2.gz SBLKXXBACMUVQJ-AWEZNQCLSA-N 1 0 398.429 3.743 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000660598892 840973104 /nfs/dbraw/zinc/97/31/04/840973104.db2.gz GEMHOQTVEQSQPF-KRWDZBQOSA-N 1 0 390.959 3.506 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511872448 841143940 /nfs/dbraw/zinc/14/39/40/841143940.db2.gz INTFEOWAYWEKNO-ZWKOTPCHSA-N 1 0 392.425 3.587 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000027059490 841204635 /nfs/dbraw/zinc/20/46/35/841204635.db2.gz RUCUQCJCPXTRLS-UHFFFAOYSA-O 1 0 381.521 3.576 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1OC ZINC000623550196 861193092 /nfs/dbraw/zinc/19/30/92/861193092.db2.gz FJEMSPMTTHJGND-MRXNPFEDSA-N 1 0 379.859 3.918 20 30 GHEDRO NCC(F)(F)CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000418065111 841461806 /nfs/dbraw/zinc/46/18/06/841461806.db2.gz VQMGMWWBKNZKEE-JTQLQIEISA-N 1 0 393.278 3.592 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)cc1OC ZINC000623562162 861205159 /nfs/dbraw/zinc/20/51/59/861205159.db2.gz KBKDCMXYCJYKSI-UHFFFAOYSA-N 1 0 388.895 3.839 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1=S ZINC000160913596 841488961 /nfs/dbraw/zinc/48/89/61/841488961.db2.gz GBOGOCJZDFNZSS-OAHLLOKOSA-N 1 0 377.583 3.558 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000329264615 861219117 /nfs/dbraw/zinc/21/91/17/861219117.db2.gz BZHYDEYWGXMFGF-LJQANCHMSA-N 1 0 396.539 3.643 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)CCC[NH2+]1 ZINC000662798677 841649730 /nfs/dbraw/zinc/64/97/30/841649730.db2.gz GFQABMYQMOAYOC-IBGZPJMESA-N 1 0 393.325 3.517 20 30 GHEDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662819175 841702132 /nfs/dbraw/zinc/70/21/32/841702132.db2.gz HDQWSQFBYMQEKJ-VXGBXAGGSA-N 1 0 386.311 3.976 20 30 GHEDRO C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329279608 861234970 /nfs/dbraw/zinc/23/49/70/861234970.db2.gz LSYTXYCOVVWHOP-LFGUQSLTSA-N 1 0 379.589 3.815 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000157833050 841833447 /nfs/dbraw/zinc/83/34/47/841833447.db2.gz WFHQXIKUAGHGTI-WMLDXEAASA-N 1 0 390.434 3.640 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000157833998 841834892 /nfs/dbraw/zinc/83/48/92/841834892.db2.gz LLDSLHDKVMKQMT-OAHLLOKOSA-N 1 0 380.439 3.649 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133739 841853003 /nfs/dbraw/zinc/85/30/03/841853003.db2.gz UYMLNOAWYQERBQ-NZQKXSOJSA-N 1 0 377.488 3.987 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418359768 841881736 /nfs/dbraw/zinc/88/17/36/841881736.db2.gz SKWSTOCOOBZDRV-JOCHJYFZSA-N 1 0 394.519 3.540 20 30 GHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000053618430 841894725 /nfs/dbraw/zinc/89/47/25/841894725.db2.gz GOQQVXCAAVLVEX-UHFFFAOYSA-N 1 0 393.487 3.816 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCC([NH3+])CC1 ZINC000418383886 841919425 /nfs/dbraw/zinc/91/94/25/841919425.db2.gz JRZKDBPQISOFHB-UHFFFAOYSA-N 1 0 384.293 3.556 20 30 GHEDRO COc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)ccc1OC(F)F ZINC000046086957 841958664 /nfs/dbraw/zinc/95/86/64/841958664.db2.gz NNEDBUWYOXTQJW-UHFFFAOYSA-N 1 0 387.430 3.881 20 30 GHEDRO C[C@@H](NC(=O)NCC1(c2ccccc2Cl)CCOCC1)C1=CC[N@H+](C)CC1 ZINC000329298540 861259160 /nfs/dbraw/zinc/25/91/60/861259160.db2.gz LLLDXZQQCFTRFB-MRXNPFEDSA-N 1 0 391.943 3.542 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610530947 842070340 /nfs/dbraw/zinc/07/03/40/842070340.db2.gz HYUYOVDAYDGBKP-SPEDKVCISA-N 1 0 376.504 3.829 20 30 GHEDRO Cc1cc(NC(=O)C(C)(C)C#N)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001143395849 842135081 /nfs/dbraw/zinc/13/50/81/842135081.db2.gz PIOOOFCZDOYCEV-UHFFFAOYSA-N 1 0 379.508 3.592 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCOC1 ZINC000603854754 861278042 /nfs/dbraw/zinc/27/80/42/861278042.db2.gz QORFLDQCINGWTI-HNNXBMFYSA-N 1 0 375.538 3.576 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CCCC(CC)CC ZINC000669032288 842167904 /nfs/dbraw/zinc/16/79/04/842167904.db2.gz GMLFRFRDYPHFAB-MOPGFXCFSA-N 1 0 375.561 3.652 20 30 GHEDRO C[C@@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000066985580 842232500 /nfs/dbraw/zinc/23/25/00/842232500.db2.gz KBAPQEYKQBCXES-LJQANCHMSA-N 1 0 378.520 3.825 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000585754235 842254174 /nfs/dbraw/zinc/25/41/74/842254174.db2.gz ANJHPASJAHQZRV-SJORKVTESA-N 1 0 375.538 3.504 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000512066542 842395700 /nfs/dbraw/zinc/39/57/00/842395700.db2.gz GAGALYGNFFZWKO-UHFFFAOYSA-N 1 0 386.377 3.931 20 30 GHEDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000512067893 842396765 /nfs/dbraw/zinc/39/67/65/842396765.db2.gz NUJXPDDXJOSTFS-HSZRJFAPSA-N 1 0 391.515 3.970 20 30 GHEDRO CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000613862831 842426177 /nfs/dbraw/zinc/42/61/77/842426177.db2.gz QYFZMRBDORISSW-AVRDEDQJSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000247409900 842520061 /nfs/dbraw/zinc/52/00/61/842520061.db2.gz IRMBPSJQFIKBNC-KZNAEPCWSA-N 1 0 377.488 3.658 20 30 GHEDRO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000036056044 842527994 /nfs/dbraw/zinc/52/79/94/842527994.db2.gz GPYFKIRUMHFAHK-JOCHJYFZSA-N 1 0 381.545 3.910 20 30 GHEDRO COc1ccc(/C=C(/C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000588436973 842597555 /nfs/dbraw/zinc/59/75/55/842597555.db2.gz QRBXYGHGWDTUML-LGMDPLHJSA-N 1 0 395.478 3.700 20 30 GHEDRO CC(=O)c1c(C)[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C(C)C ZINC000125661094 842610304 /nfs/dbraw/zinc/61/03/04/842610304.db2.gz FDHZWAYGNABFIS-UHFFFAOYSA-N 1 0 394.519 3.725 20 30 GHEDRO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000157702100 842661639 /nfs/dbraw/zinc/66/16/39/842661639.db2.gz DRZWRFNTMMAUCP-UHFFFAOYSA-N 1 0 388.562 3.767 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)C2=O)cc1 ZINC000248741632 842702183 /nfs/dbraw/zinc/70/21/83/842702183.db2.gz MBRKODOCSJSQEE-VJBMBRPKSA-N 1 0 389.499 3.811 20 30 GHEDRO COc1ccc(C2(Cc3nc(-c4ccc(C#N)c(C)c4)no3)CC[NH2+]CC2)cc1 ZINC001211522751 842703241 /nfs/dbraw/zinc/70/32/41/842703241.db2.gz HMMHANOJMHZERP-UHFFFAOYSA-N 1 0 388.471 3.789 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC#Cc1cccc(F)c1 ZINC000512179345 842787617 /nfs/dbraw/zinc/78/76/17/842787617.db2.gz XFWWMFXZSBKAGJ-QFIPXVFZSA-N 1 0 393.506 3.777 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cc(Cl)cs3)CC2)cc1 ZINC000135355625 842835823 /nfs/dbraw/zinc/83/58/23/842835823.db2.gz DNZLFCUDTXDRFQ-UHFFFAOYSA-N 1 0 387.936 3.940 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1OCc1ccccc1 ZINC000471857321 842886284 /nfs/dbraw/zinc/88/62/84/842886284.db2.gz NZTCGYBQXXZPBG-OTWHNJEPSA-N 1 0 395.528 3.699 20 30 GHEDRO C[N@@H+]1CCCN(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)CC1 ZINC000329384759 861358635 /nfs/dbraw/zinc/35/86/35/861358635.db2.gz POOHKQIFZIKSML-UHFFFAOYSA-N 1 0 399.516 3.792 20 30 GHEDRO C#CCOc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000730951674 861367890 /nfs/dbraw/zinc/36/78/90/861367890.db2.gz NGRARFVCHUYERN-UHFFFAOYSA-N 1 0 379.529 3.650 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000601874834 843028292 /nfs/dbraw/zinc/02/82/92/843028292.db2.gz OZFRGDHLFGXALC-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO Cc1ccc(OCC[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279465392 843070656 /nfs/dbraw/zinc/07/06/56/843070656.db2.gz UYGMAAGDVAMUCM-UHFFFAOYSA-N 1 0 375.476 3.678 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000329418059 861394184 /nfs/dbraw/zinc/39/41/84/861394184.db2.gz ZQEITKHFWPNGRE-UONOGXRCSA-N 1 0 382.302 3.571 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@H](CC)[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000662449427 843262577 /nfs/dbraw/zinc/26/25/77/843262577.db2.gz MONAYOVQGHEEJP-IBGZPJMESA-N 1 0 396.487 3.554 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@@H](CC)[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000662449428 843264032 /nfs/dbraw/zinc/26/40/32/843264032.db2.gz MONAYOVQGHEEJP-LJQANCHMSA-N 1 0 396.487 3.554 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2cccc(COCCOc3ccccc3)c2)CCC[NH2+]1 ZINC000662486826 843326183 /nfs/dbraw/zinc/32/61/83/843326183.db2.gz DJTNJYHNEZREOY-QHCPKHFHSA-N 1 0 380.488 3.919 20 30 GHEDRO CC(C)N(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843695486 843342862 /nfs/dbraw/zinc/34/28/62/843342862.db2.gz CBRXTFHNSZOQNY-JOCHJYFZSA-N 1 0 391.515 3.643 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)cc1 ZINC000610652227 843371950 /nfs/dbraw/zinc/37/19/50/843371950.db2.gz KEIHMWWSZPIZHM-DHLKQENFSA-N 1 0 390.527 3.862 20 30 GHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000091842635 843431797 /nfs/dbraw/zinc/43/17/97/843431797.db2.gz SHXYJRSLZCFGLW-CQSZACIVSA-N 1 0 393.329 3.825 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(C)(C)C[NH+](C)C ZINC000610659536 843434228 /nfs/dbraw/zinc/43/42/28/843434228.db2.gz WARGJFVRISBKHX-OAHLLOKOSA-N 1 0 381.480 3.843 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(F)c1OC)CC2 ZINC001143525632 843437965 /nfs/dbraw/zinc/43/79/65/843437965.db2.gz WZOWMSMJEJOTNG-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO CC(C)C[C@@H](C)n1nccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000481449274 861419073 /nfs/dbraw/zinc/41/90/73/861419073.db2.gz WIPOWOBJJYNBMM-GOSISDBHSA-N 1 0 396.539 3.958 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329433312 861420021 /nfs/dbraw/zinc/42/00/21/861420021.db2.gz IMAVBOLKPQGMAN-CGVQKBNFSA-N 1 0 387.568 3.635 20 30 GHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000418649679 843502392 /nfs/dbraw/zinc/50/23/92/843502392.db2.gz JLCGBNUJNFCHOH-BHDDXSALSA-N 1 0 376.504 3.730 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NCCc2ccccn2)cc1 ZINC000171086683 861423765 /nfs/dbraw/zinc/42/37/65/861423765.db2.gz FQGXAKFWYKMAAT-UHFFFAOYSA-O 1 0 390.532 3.757 20 30 GHEDRO CCOc1ccc(NC(=O)CC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599633692 861425465 /nfs/dbraw/zinc/42/54/65/861425465.db2.gz FLXWUNSYOYRPRJ-UHFFFAOYSA-N 1 0 393.487 3.581 20 30 GHEDRO COC(=O)c1ccc(Cl)c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000599634093 861425603 /nfs/dbraw/zinc/42/56/03/861425603.db2.gz OROICEUOTVKFTB-UHFFFAOYSA-N 1 0 384.863 3.794 20 30 GHEDRO CSc1cccc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000599632646 861426040 /nfs/dbraw/zinc/42/60/40/861426040.db2.gz IWEUIJKSXVNSKW-UHFFFAOYSA-N 1 0 381.501 3.514 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418737632 843585258 /nfs/dbraw/zinc/58/52/58/843585258.db2.gz YHNSHMDRYNEFES-KNQAVFIVSA-N 1 0 394.494 3.927 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000418794671 843638685 /nfs/dbraw/zinc/63/86/85/843638685.db2.gz RKYTVWUGSBVEIM-NQIIRXRSSA-N 1 0 380.467 3.537 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccnc4ccccc43)CC2)cc1 ZINC000572494473 843655387 /nfs/dbraw/zinc/65/53/87/843655387.db2.gz XBPVCQMIMDSPMT-FQEVSTJZSA-N 1 0 387.483 3.726 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000510892876 843732171 /nfs/dbraw/zinc/73/21/71/843732171.db2.gz KDUSWQHVOLIKND-OAQYLSRUSA-N 1 0 376.504 3.658 20 30 GHEDRO C[C@@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512438957 843808216 /nfs/dbraw/zinc/80/82/16/843808216.db2.gz MAJSUAXIFDUMFC-NRFANRHFSA-N 1 0 389.565 3.844 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCOCCOc3ccccc3)CC2)c(F)c1 ZINC000512832162 843827274 /nfs/dbraw/zinc/82/72/74/843827274.db2.gz GSWBVMTZLNJAQR-UHFFFAOYSA-N 1 0 384.451 3.636 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](COC(F)F)C3)sc2C1 ZINC000512845498 843878206 /nfs/dbraw/zinc/87/82/06/843878206.db2.gz SYQABGSIYWQKME-OLZOCXBDSA-N 1 0 397.491 3.634 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572640106 843910158 /nfs/dbraw/zinc/91/01/58/843910158.db2.gz WTDJOLMCKCIEQP-FZKQIMNGSA-N 1 0 387.846 3.560 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(CC#N)c1 ZINC000179102886 861470326 /nfs/dbraw/zinc/47/03/26/861470326.db2.gz YSJITLQXPKIASA-OAQYLSRUSA-N 1 0 377.488 3.585 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1OC ZINC000512884561 843935231 /nfs/dbraw/zinc/93/52/31/843935231.db2.gz FTCGJSPFVHUUFR-ZFWWWQNUSA-N 1 0 384.314 3.785 20 30 GHEDRO C=CCN(CCC#N)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000433290251 843978617 /nfs/dbraw/zinc/97/86/17/843978617.db2.gz WOFQMPNJWBDCSQ-FQEVSTJZSA-N 1 0 392.507 3.572 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000728926494 843997497 /nfs/dbraw/zinc/99/74/97/843997497.db2.gz OZSYHJHIEAGAEX-QGZVFWFLSA-N 1 0 384.549 3.525 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2Br)c(-c2ccncc2)n1 ZINC000433307989 844005640 /nfs/dbraw/zinc/00/56/40/844005640.db2.gz XDCDIGPKWSMNLX-UHFFFAOYSA-N 1 0 396.292 3.911 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CCC1CCOCC1 ZINC000120646251 844637646 /nfs/dbraw/zinc/63/76/46/844637646.db2.gz GVZTYCGYYNJSOP-HNNXBMFYSA-N 1 0 389.565 3.964 20 30 GHEDRO CCOc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC ZINC000512580646 844650525 /nfs/dbraw/zinc/65/05/25/844650525.db2.gz CNKUDKKOGRQGAZ-UHFFFAOYSA-N 1 0 393.487 3.816 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000573675633 844659793 /nfs/dbraw/zinc/65/97/93/844659793.db2.gz AZYQEVGOKKJETI-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO Cc1ccc(C)c(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010432 844681382 /nfs/dbraw/zinc/68/13/82/844681382.db2.gz IUOIWIBUTLYEHW-UHFFFAOYSA-N 1 0 391.515 3.728 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512611907 844741710 /nfs/dbraw/zinc/74/17/10/844741710.db2.gz MSJKSXLYDJEOKK-TZMCWYRMSA-N 1 0 393.256 3.550 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000329471609 861493656 /nfs/dbraw/zinc/49/36/56/861493656.db2.gz ZDCDVTVZXAJSQN-CRAIPNDOSA-N 1 0 393.503 3.591 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1F ZINC000458284097 844791369 /nfs/dbraw/zinc/79/13/69/844791369.db2.gz YBVUZFLYPVWAST-UHFFFAOYSA-N 1 0 383.467 3.845 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458296457 844806591 /nfs/dbraw/zinc/80/65/91/844806591.db2.gz XTPVSBSIPDYLES-UHFFFAOYSA-N 1 0 381.476 3.735 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000610967872 844924797 /nfs/dbraw/zinc/92/47/97/844924797.db2.gz TZDWPMVENZOCRW-NHCUHLMSSA-N 1 0 389.499 3.853 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)cc1 ZINC000731217289 861518822 /nfs/dbraw/zinc/51/88/22/861518822.db2.gz GQZIDMQFGZKFND-UHFFFAOYSA-N 1 0 398.595 3.940 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC000599684006 861525403 /nfs/dbraw/zinc/52/54/03/861525403.db2.gz SMHBYKSISZBDLR-SFHVURJKSA-N 1 0 392.286 3.907 20 30 GHEDRO C#CCOc1ccc(C[NH2+]CC2(c3ccc(OCC)cc3)CCOCC2)cc1 ZINC000236967955 845273628 /nfs/dbraw/zinc/27/36/28/845273628.db2.gz FESGPXZDHNXGNR-UHFFFAOYSA-N 1 0 379.500 3.935 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCC[C@H](CNc4ccc(Cl)cc4)C3)cnc12 ZINC000896732198 861551270 /nfs/dbraw/zinc/55/12/70/861551270.db2.gz FMQLSJZZDHVBND-OAHLLOKOSA-N 1 0 380.883 3.578 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)c(F)c1 ZINC000512796740 845547850 /nfs/dbraw/zinc/54/78/50/845547850.db2.gz JAZKDWYQJKTAAW-UHFFFAOYSA-N 1 0 385.414 3.708 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000513520958 845573150 /nfs/dbraw/zinc/57/31/50/845573150.db2.gz MBNKVSHYCYGSOG-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000104155013 845808866 /nfs/dbraw/zinc/80/88/66/845808866.db2.gz GEQUXYSPLBRNCV-GOSISDBHSA-N 1 0 386.496 3.641 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)CC1 ZINC000084680744 845851930 /nfs/dbraw/zinc/85/19/30/845851930.db2.gz HWSPMRJUHMCFNW-JSOIOWGOSA-N 1 0 382.552 3.718 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000481538728 861626164 /nfs/dbraw/zinc/62/61/64/861626164.db2.gz FYASNFHISRCKCF-IIDMSEBBSA-N 1 0 389.565 3.699 20 30 GHEDRO CC[C@@H](C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000604033298 861649999 /nfs/dbraw/zinc/64/99/99/861649999.db2.gz CHTWKUQCTJWVMR-GOSISDBHSA-N 1 0 399.560 3.824 20 30 GHEDRO COC(=O)CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000513656823 846201194 /nfs/dbraw/zinc/20/11/94/846201194.db2.gz XVYCKOPTYIENJH-JOCHJYFZSA-N 1 0 377.488 3.811 20 30 GHEDRO COC1([C@@H](C)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 ZINC000421404471 846203941 /nfs/dbraw/zinc/20/39/41/846203941.db2.gz PUZGWUGGUMBQBZ-GOSISDBHSA-N 1 0 380.488 3.811 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000127448698 846273543 /nfs/dbraw/zinc/27/35/43/846273543.db2.gz PYITZSZUXGYBOI-NRFANRHFSA-N 1 0 382.891 3.935 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000414523763 846291958 /nfs/dbraw/zinc/29/19/58/846291958.db2.gz IUVBQPLPCWJSOU-XXBNENTESA-N 1 0 395.551 3.591 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CSCc3ccc(C#N)cc3)C2)CC1 ZINC000072051376 846308765 /nfs/dbraw/zinc/30/87/65/846308765.db2.gz FGESVKVITQNYCO-NRFANRHFSA-N 1 0 385.577 3.762 20 30 GHEDRO C[C@H]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513691079 846339552 /nfs/dbraw/zinc/33/95/52/846339552.db2.gz QPJRWDVGHPUNQH-SFHVURJKSA-N 1 0 391.490 3.852 20 30 GHEDRO Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280237464 846341722 /nfs/dbraw/zinc/34/17/22/846341722.db2.gz STZNFRCIAFNEPS-UHFFFAOYSA-N 1 0 377.488 3.881 20 30 GHEDRO Cc1c(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)ccc(C#N)c1C#N ZINC000421557754 846353070 /nfs/dbraw/zinc/35/30/70/846353070.db2.gz LVCZMBKDYZQWFX-UHFFFAOYSA-N 1 0 376.485 3.539 20 30 GHEDRO CC(C)C(=O)N1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000329563967 861670846 /nfs/dbraw/zinc/67/08/46/861670846.db2.gz JYJZEVDNHITZDO-HYBUGGRVSA-N 1 0 397.563 3.892 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000329565118 861671626 /nfs/dbraw/zinc/67/16/26/861671626.db2.gz KJDAPSRRZHPXEF-UMSONDCASA-N 1 0 385.552 3.878 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178541691 846399057 /nfs/dbraw/zinc/39/90/57/846399057.db2.gz OXAWWBQVZBYCEW-IRXDYDNUSA-N 1 0 384.524 3.610 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1-n1cccn1 ZINC000183152953 846406916 /nfs/dbraw/zinc/40/69/16/846406916.db2.gz RBZBMGGGDBNEEZ-CQSZACIVSA-N 1 0 379.851 3.687 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000684767708 846448516 /nfs/dbraw/zinc/44/85/16/846448516.db2.gz PYBJBNNDZFEIQW-WIYYLYMNSA-N 1 0 399.560 3.718 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000501077926 846620026 /nfs/dbraw/zinc/62/00/26/846620026.db2.gz KLZKTDRKDSYXSG-UHFFFAOYSA-N 1 0 380.448 3.953 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000501124885 846652994 /nfs/dbraw/zinc/65/29/94/846652994.db2.gz LOEUPMGIBWZZQK-UHFFFAOYSA-N 1 0 375.473 3.592 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502956726 846661343 /nfs/dbraw/zinc/66/13/43/846661343.db2.gz PCRYCCPNMGPEEY-HNNXBMFYSA-N 1 0 384.505 3.688 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC000434111169 846717185 /nfs/dbraw/zinc/71/71/85/846717185.db2.gz JWGMLMVWUBCNMD-FQEVSTJZSA-N 1 0 393.934 3.773 20 30 GHEDRO Cc1ncc(CO)c(/C=N/C[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1O ZINC000731563355 861713647 /nfs/dbraw/zinc/71/36/47/861713647.db2.gz PNCILNVTNXSIEE-AOOMUMSASA-N 1 0 387.911 3.715 20 30 GHEDRO COc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(F)cc1C#N ZINC000599817590 861723062 /nfs/dbraw/zinc/72/30/62/861723062.db2.gz PNFOEJMMSBTGBH-HZPDHXFCSA-N 1 0 388.487 3.824 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000503148971 846841325 /nfs/dbraw/zinc/84/13/25/846841325.db2.gz AMQYGLHLDVLTSA-GAJHUEQPSA-N 1 0 399.535 3.590 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000478179644 846993403 /nfs/dbraw/zinc/99/34/03/846993403.db2.gz NUMSTTAMBYBGAZ-OXJNMPFZSA-N 1 0 397.906 3.932 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)nn1CCC#N ZINC000272111004 846993716 /nfs/dbraw/zinc/99/37/16/846993716.db2.gz QHDPCZYRQKVCKD-QGZVFWFLSA-N 1 0 394.523 3.801 20 30 GHEDRO CN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287887258 847049052 /nfs/dbraw/zinc/04/90/52/847049052.db2.gz BOXDSDRWOMRABY-CBQGHPETSA-N 1 0 388.515 3.992 20 30 GHEDRO CCc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1CC(C)C ZINC000127535279 847050522 /nfs/dbraw/zinc/05/05/22/847050522.db2.gz LEFZRHBIFLSZOI-UHFFFAOYSA-N 1 0 396.539 3.569 20 30 GHEDRO CC(C)(CNC(=O)c1cccc(COc2ccccc2C#N)c1)C[NH+]1CCCC1 ZINC000481570650 861750832 /nfs/dbraw/zinc/75/08/32/861750832.db2.gz GXEJYAZREHFORJ-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)Cc2c(F)cccc2C#N)ccc1OC ZINC000509537592 847110416 /nfs/dbraw/zinc/11/04/16/847110416.db2.gz DACILRAELKKYKO-UHFFFAOYSA-N 1 0 399.466 3.608 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CCc3cc(Cl)ccc3Br)n2c1 ZINC000158226625 847115597 /nfs/dbraw/zinc/11/55/97/847115597.db2.gz NJHXMIIHTZXZNS-UHFFFAOYSA-N 1 0 389.684 3.954 20 30 GHEDRO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=[NH2+])Nc1cc(F)ccc1F)O[C@H](C)C2 ZINC000262300820 861763114 /nfs/dbraw/zinc/76/31/14/861763114.db2.gz QAZHPSCDDAOLQS-HYSWKAIVSA-N 1 0 387.430 3.970 20 30 GHEDRO Cc1sc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1C(C)C ZINC000478661620 847186846 /nfs/dbraw/zinc/18/68/46/847186846.db2.gz PXMUSRZDGNCCOY-UHFFFAOYSA-N 1 0 399.564 3.720 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000604096167 861776626 /nfs/dbraw/zinc/77/66/26/861776626.db2.gz QIVWMRZODZYINH-UZLBHIALSA-N 1 0 380.492 3.548 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000420669803 847362982 /nfs/dbraw/zinc/36/29/82/847362982.db2.gz XSWGSNBIJCNLMH-UHFFFAOYSA-N 1 0 391.581 3.799 20 30 GHEDRO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000261829750 847399956 /nfs/dbraw/zinc/39/99/56/847399956.db2.gz VJVKETMCPMHYJQ-LBPRGKRZSA-N 1 0 385.487 3.527 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCCC1 ZINC000178590597 847405654 /nfs/dbraw/zinc/40/56/54/847405654.db2.gz OMIMIKARDYHBOX-SFHVURJKSA-N 1 0 398.551 3.621 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(C#N)s2)C[N@@H+]1Cc1ccccc1 ZINC000420883284 847503339 /nfs/dbraw/zinc/50/33/39/847503339.db2.gz HXCGIAUGARGLRV-SJLPKXTDSA-N 1 0 382.533 3.720 20 30 GHEDRO Cc1c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cccc1[N+](=O)[O-] ZINC000502173418 847557005 /nfs/dbraw/zinc/55/70/05/847557005.db2.gz ODYCYIRFGLDQSX-UHFFFAOYSA-N 1 0 378.432 3.626 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)CC1 ZINC000503299600 847570998 /nfs/dbraw/zinc/57/09/98/847570998.db2.gz YJKJHZXXYZDHCR-UHFFFAOYSA-N 1 0 389.496 3.646 20 30 GHEDRO Cn1cc(CNCc2nc3cccc(Cl)c3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000479421951 847637378 /nfs/dbraw/zinc/63/73/78/847637378.db2.gz OCPSBQGWVJYAKY-UHFFFAOYSA-N 1 0 390.878 3.789 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187767524 847843691 /nfs/dbraw/zinc/84/36/91/847843691.db2.gz GDKMYRPMCMTSSM-JOCHJYFZSA-N 1 0 387.527 3.960 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001167594725 847943306 /nfs/dbraw/zinc/94/33/06/847943306.db2.gz QPBFNMWENDUWQK-OXJNMPFZSA-N 1 0 396.922 3.745 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[NH+](C3CCC3)CC2)c1Br ZINC000480009788 848019416 /nfs/dbraw/zinc/01/94/16/848019416.db2.gz YOLZSMLWVKAQFD-UHFFFAOYSA-N 1 0 385.309 3.852 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582731380 848182530 /nfs/dbraw/zinc/18/25/30/848182530.db2.gz DCWDDJVWQBCAEZ-QFIPXVFZSA-N 1 0 398.514 3.862 20 30 GHEDRO COc1cnc(N(c2cc(OC)cc3cccnc32)[C@H](C)CCC[NH3+])c(C#N)c1 ZINC001167613466 848339920 /nfs/dbraw/zinc/33/99/20/848339920.db2.gz QTCONHCPZQTUTK-OAHLLOKOSA-N 1 0 391.475 3.784 20 30 GHEDRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000120074864 848500244 /nfs/dbraw/zinc/50/02/44/848500244.db2.gz NRXURJBXKNLEBG-UHFFFAOYSA-N 1 0 393.919 3.778 20 30 GHEDRO Cc1cnccc1OC1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000277928058 848523028 /nfs/dbraw/zinc/52/30/28/848523028.db2.gz HKSCEPVKFHSXDQ-INIZCTEOSA-N 1 0 380.448 3.756 20 30 GHEDRO CC[NH+]=C(NCc1csc(Br)c1)NCc1nc(C)c(C)s1 ZINC000262328097 861946199 /nfs/dbraw/zinc/94/61/99/861946199.db2.gz AIRCJNJEKUDFDU-UHFFFAOYSA-N 1 0 387.372 3.839 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000583013962 848876632 /nfs/dbraw/zinc/87/66/32/848876632.db2.gz BPORXOOYVLQDLO-QHCPKHFHSA-N 1 0 388.515 3.899 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000583071910 849017337 /nfs/dbraw/zinc/01/73/37/849017337.db2.gz CVWYTNDYGDWHKQ-DQLDELGASA-N 1 0 376.460 3.942 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000731950192 861970659 /nfs/dbraw/zinc/97/06/59/861970659.db2.gz MDTMNKLAHVJILO-UHFFFAOYSA-N 1 0 380.517 3.519 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000153823127 849039465 /nfs/dbraw/zinc/03/94/65/849039465.db2.gz YIERRHTZTNZGTN-PKOBYXMFSA-N 1 0 395.503 3.611 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000278170174 849487645 /nfs/dbraw/zinc/48/76/45/849487645.db2.gz DXVJBNBUJZHBQS-UHFFFAOYSA-O 1 0 399.536 3.607 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccco1 ZINC000583373510 849739961 /nfs/dbraw/zinc/73/99/61/849739961.db2.gz FZFRFBUITJORKQ-YWZLYKJASA-N 1 0 391.475 3.505 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000052314581 849740903 /nfs/dbraw/zinc/74/09/03/849740903.db2.gz OINUAGFMLLRQBI-HZPDHXFCSA-N 1 0 380.448 3.688 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(-c4cccnc4)c3)C2=O)cc1 ZINC000503932494 849780530 /nfs/dbraw/zinc/78/05/30/849780530.db2.gz URWGPFPDDOCWJV-HSZRJFAPSA-N 1 0 382.467 3.905 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)[NH+]2CCCC2)cc1 ZINC000061502863 862058512 /nfs/dbraw/zinc/05/85/12/862058512.db2.gz BTUOVXDJQZKOJI-NQIIRXRSSA-N 1 0 377.488 3.587 20 30 GHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000504071908 849878894 /nfs/dbraw/zinc/87/88/94/849878894.db2.gz NYROFZUWZMGZBY-QFIPXVFZSA-N 1 0 385.508 3.873 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000514542866 849986993 /nfs/dbraw/zinc/98/69/93/849986993.db2.gz QOGSZWYPSPWXLM-HOTGVXAUSA-N 1 0 397.548 3.847 20 30 GHEDRO N#Cc1cccc(C2(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)c1 ZINC000435024979 850008111 /nfs/dbraw/zinc/00/81/11/850008111.db2.gz VGEKJBYEJLSWNZ-GOSISDBHSA-N 1 0 379.529 3.680 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CCCC[C@@H]2C)cc1OC ZINC000518765511 850062339 /nfs/dbraw/zinc/06/23/39/850062339.db2.gz HQJOYGDLGXCOMI-HNNXBMFYSA-N 1 0 397.357 3.987 20 30 GHEDRO N#Cc1cccc(NCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000426426128 850114663 /nfs/dbraw/zinc/11/46/63/850114663.db2.gz FYEWTUKXOMDILH-UHFFFAOYSA-N 1 0 376.504 3.663 20 30 GHEDRO C[C@H](NC(=O)N1CCC(NC(=O)CC2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000329696961 862100613 /nfs/dbraw/zinc/10/06/13/862100613.db2.gz DVRFELYMSJSKHF-INIZCTEOSA-N 1 0 376.545 3.552 20 30 GHEDRO Cc1sc(NC(=O)[C@H]([NH3+])CCCC#N)nc1-c1ccc(OC(F)F)cc1 ZINC000424059460 850194573 /nfs/dbraw/zinc/19/45/73/850194573.db2.gz BQUFIQNNDWLZNT-CYBMUJFWSA-N 1 0 380.420 3.680 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000486895069 850210616 /nfs/dbraw/zinc/21/06/16/850210616.db2.gz NTDNAZYAPBNGML-UHFFFAOYSA-N 1 0 382.508 3.684 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000424119678 850233269 /nfs/dbraw/zinc/23/32/69/850233269.db2.gz GBSICQJKBNEXIB-KRWDZBQOSA-N 1 0 392.341 3.788 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000424121208 850234228 /nfs/dbraw/zinc/23/42/28/850234228.db2.gz HOWAOPBQHWMYKG-KRWDZBQOSA-N 1 0 384.307 3.522 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000424125474 850238479 /nfs/dbraw/zinc/23/84/79/850238479.db2.gz NQRQHOKBBCLTGX-QGZVFWFLSA-N 1 0 384.307 3.632 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000424125471 850238917 /nfs/dbraw/zinc/23/89/17/850238917.db2.gz NQRQHOKBBCLTGX-KRWDZBQOSA-N 1 0 384.307 3.632 20 30 GHEDRO CCC1(CC)CN(C(=O)[C@H]([NH3+])CCCC#N)c2ccc(Br)cc21 ZINC000424145495 850247717 /nfs/dbraw/zinc/24/77/17/850247717.db2.gz YWIVNFLWCKYANO-OAHLLOKOSA-N 1 0 378.314 3.875 20 30 GHEDRO Cc1sc(NC(=O)CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000426458023 850248529 /nfs/dbraw/zinc/24/85/29/850248529.db2.gz HJWZEPPRYUJPFO-INIZCTEOSA-N 1 0 396.560 3.772 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000424170010 850275493 /nfs/dbraw/zinc/27/54/93/850275493.db2.gz AQPAGRAEMWNTLD-SFHVURJKSA-N 1 0 391.302 3.938 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000732188289 862114429 /nfs/dbraw/zinc/11/44/29/862114429.db2.gz HKBYTEWPSVBYJE-LJQANCHMSA-N 1 0 383.565 3.702 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000424298862 850341565 /nfs/dbraw/zinc/34/15/65/850341565.db2.gz UEONISMGJZVDQF-MAZHCROVSA-N 1 0 399.272 3.686 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000424298863 850342045 /nfs/dbraw/zinc/34/20/45/850342045.db2.gz UEONISMGJZVDQF-RCBQFDQVSA-N 1 0 399.272 3.686 20 30 GHEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000444783037 862127805 /nfs/dbraw/zinc/12/78/05/862127805.db2.gz KDMNVUIHXHXFBW-VQIMIIECSA-N 1 0 378.394 3.890 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000518976148 850444994 /nfs/dbraw/zinc/44/49/94/850444994.db2.gz WBWLTKGCTKHYNO-SFHVURJKSA-N 1 0 399.560 3.887 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514952341 850529165 /nfs/dbraw/zinc/52/91/65/850529165.db2.gz OQMGTAUNRNFYKP-HXUWFJFHSA-N 1 0 390.535 3.808 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC(C)(C)c1ccccc1 ZINC000604400389 862140410 /nfs/dbraw/zinc/14/04/10/862140410.db2.gz VKELMIPQRDLIBN-UHFFFAOYSA-N 1 0 392.547 3.999 20 30 GHEDRO C[C@@H](NC(=O)CSc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487254608 850623094 /nfs/dbraw/zinc/62/30/94/850623094.db2.gz YLPBNCHSTFRHSN-YLJYHZDGSA-N 1 0 379.529 3.677 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000515080590 850652117 /nfs/dbraw/zinc/65/21/17/850652117.db2.gz PKNZQUZAIMQHPR-NRFANRHFSA-N 1 0 396.922 3.890 20 30 GHEDRO C=CCOCCC(=O)N1CCC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001269983618 850666719 /nfs/dbraw/zinc/66/67/19/850666719.db2.gz ZGMUEHJBYXOWAA-GOSISDBHSA-N 1 0 376.463 3.626 20 30 GHEDRO C=CCC1(C(=O)Nc2nc3ccccc3n2CC[NH+](CC)CC)CCOCC1 ZINC000425403965 850799447 /nfs/dbraw/zinc/79/94/47/850799447.db2.gz VCDBFFPUCWGAHM-UHFFFAOYSA-N 1 0 384.524 3.690 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435743449 850830600 /nfs/dbraw/zinc/83/06/00/850830600.db2.gz RZXREPNSHFPMKH-KBXCAEBGSA-N 1 0 376.298 3.910 20 30 GHEDRO C#CCCCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1Cc1cccs1 ZINC000909917470 850841549 /nfs/dbraw/zinc/84/15/49/850841549.db2.gz GHMDOXPAINRVQM-UHFFFAOYSA-N 1 0 397.592 3.799 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)s1 ZINC000435998976 851094148 /nfs/dbraw/zinc/09/41/48/851094148.db2.gz XMAOJQVIFNANRP-ONGXEEELSA-N 1 0 396.335 3.900 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000515517728 851118933 /nfs/dbraw/zinc/11/89/33/851118933.db2.gz YHXPBEHVIYNUNO-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+]1CCC(C)CC1 ZINC000604474986 862218473 /nfs/dbraw/zinc/21/84/73/862218473.db2.gz IVKWXEZEQYBHSH-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO [NH2+]=C(NCc1ccc(Br)s1)Nc1ccc2c(c1)OCCCO2 ZINC000262019639 851226386 /nfs/dbraw/zinc/22/63/86/851226386.db2.gz XJZWMCLMSPWAPA-UHFFFAOYSA-N 1 0 382.283 3.599 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000120794853 851255804 /nfs/dbraw/zinc/25/58/04/851255804.db2.gz CWQJPHFSBYBQRT-FCHUYYIVSA-N 1 0 397.567 3.668 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCN[C@@H](c4ccccc4)C3)C2)c(F)c1 ZINC000515634422 851276613 /nfs/dbraw/zinc/27/66/13/851276613.db2.gz LKQCMJIGKJHAMQ-RZUBCFFCSA-N 1 0 378.495 3.749 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCN[C@H](c4ccccc4)C3)C2)c(F)c1 ZINC000515634423 851276962 /nfs/dbraw/zinc/27/69/62/851276962.db2.gz LKQCMJIGKJHAMQ-URVUXULASA-N 1 0 378.495 3.749 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000604482976 862225566 /nfs/dbraw/zinc/22/55/66/862225566.db2.gz FPJBJJCSJHCXLS-HXUWFJFHSA-N 1 0 377.492 3.727 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@](CO)(C(C)C)C2)ccc1Cl ZINC000550064145 851341058 /nfs/dbraw/zinc/34/10/58/851341058.db2.gz WWODKOIICSVOIZ-NRFANRHFSA-N 1 0 391.943 3.626 20 30 GHEDRO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000515717004 851385618 /nfs/dbraw/zinc/38/56/18/851385618.db2.gz YKNIGXKJSRXYHH-URXFXBBRSA-N 1 0 394.515 3.926 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000425133937 851477093 /nfs/dbraw/zinc/47/70/93/851477093.db2.gz TXDICXNGBYHCJN-GOSISDBHSA-N 1 0 391.515 3.596 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488431956 851499655 /nfs/dbraw/zinc/49/96/55/851499655.db2.gz GHYYSPUTNMZWOU-SFHVURJKSA-N 1 0 381.442 3.880 20 30 GHEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000488497795 851550062 /nfs/dbraw/zinc/55/00/62/851550062.db2.gz VLXVBSURICUWPV-SFHVURJKSA-N 1 0 395.503 3.861 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc2)CC1 ZINC000505808901 851561863 /nfs/dbraw/zinc/56/18/63/851561863.db2.gz JWDZFHUMLFXCNV-NRFANRHFSA-N 1 0 396.922 3.865 20 30 GHEDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1(C)C ZINC000436397184 851569913 /nfs/dbraw/zinc/56/99/13/851569913.db2.gz ZVOSORAODTZTRP-ISKFKSNPSA-N 1 0 394.515 3.793 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](CCc2ccccc2)C2CCCC2)cc1 ZINC000604500735 862260284 /nfs/dbraw/zinc/26/02/84/862260284.db2.gz NPHAJFSXSLJQTA-HSZRJFAPSA-N 1 0 378.516 3.980 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425542158 851589948 /nfs/dbraw/zinc/58/99/48/851589948.db2.gz QEYWDDDYRFRJLF-SFHVURJKSA-N 1 0 390.487 3.897 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C[C@H]1C(F)(F)F ZINC000894543359 851671845 /nfs/dbraw/zinc/67/18/45/851671845.db2.gz YZSZBGNHEZDLOA-BZUAXINKSA-N 1 0 384.398 3.567 20 30 GHEDRO Cc1ccc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1F ZINC000600563624 862280879 /nfs/dbraw/zinc/28/08/79/862280879.db2.gz NQINZYVNDYTKOO-UHFFFAOYSA-N 1 0 387.458 3.774 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)cn1 ZINC000061638202 862283583 /nfs/dbraw/zinc/28/35/83/862283583.db2.gz MMYCDNPLZBXEQY-UHFFFAOYSA-N 1 0 391.500 3.720 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440465204 851890701 /nfs/dbraw/zinc/89/07/01/851890701.db2.gz NPPPPRUFKAJAFR-JOCHJYFZSA-N 1 0 382.529 3.717 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000488966247 851899221 /nfs/dbraw/zinc/89/92/21/851899221.db2.gz BUXXZDUVECBNER-UHFFFAOYSA-N 1 0 390.409 3.612 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)CC2 ZINC000329794075 862326868 /nfs/dbraw/zinc/32/68/68/862326868.db2.gz BPBCZQDVKOVPJM-HUUCEWRRSA-N 1 0 398.473 3.986 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)cc(OC)c1O ZINC000608068190 852172324 /nfs/dbraw/zinc/17/23/24/852172324.db2.gz JMYQZHULOZRLAB-OAHLLOKOSA-N 1 0 393.886 3.863 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(OCC#N)c1)[NH+]1CCCC1 ZINC000048513882 852173583 /nfs/dbraw/zinc/17/35/83/852173583.db2.gz VENMDNLGZGUJBS-FQEVSTJZSA-N 1 0 394.475 3.556 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000329804164 862332348 /nfs/dbraw/zinc/33/23/48/862332348.db2.gz KBTQIDTWBFENOZ-YJBOKZPZSA-N 1 0 375.561 3.585 20 30 GHEDRO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000329806129 862333744 /nfs/dbraw/zinc/33/37/44/862333744.db2.gz LDRXZVZCXUTHFZ-IPMKNSEASA-N 1 0 389.496 3.589 20 30 GHEDRO CC(C)(C)[NH+]=C(NCCc1cccs1)NCc1ccc(N2CCCC2)nc1 ZINC000912509158 852313211 /nfs/dbraw/zinc/31/32/11/852313211.db2.gz VAFVZAWHNROTPB-UHFFFAOYSA-N 1 0 385.581 3.820 20 30 GHEDRO C[N@@H+]1CCN(C(=O)COc2cccc(NC(=O)C3CC3)c2)C2(CCCCC2)C1 ZINC000329823080 862347053 /nfs/dbraw/zinc/34/70/53/862347053.db2.gz HJPJUVMRZGRQKN-UHFFFAOYSA-N 1 0 385.508 3.540 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000438466912 852445637 /nfs/dbraw/zinc/44/56/37/852445637.db2.gz AFGCYZCIGMKLIE-UHFFFAOYSA-N 1 0 387.487 3.678 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000426029351 852467473 /nfs/dbraw/zinc/46/74/73/852467473.db2.gz PLVSOBLGBSNDJQ-PMACEKPBSA-N 1 0 377.573 3.866 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000426029353 852467821 /nfs/dbraw/zinc/46/78/21/852467821.db2.gz PLVSOBLGBSNDJQ-UXHICEINSA-N 1 0 377.573 3.866 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505901839 852493573 /nfs/dbraw/zinc/49/35/73/852493573.db2.gz WYDWTNDSOTWPBW-WOJBJXKFSA-N 1 0 377.488 3.723 20 30 GHEDRO COc1cc2c(c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c1)O[C@@H](C)C2 ZINC000506281568 852581037 /nfs/dbraw/zinc/58/10/37/852581037.db2.gz OFINIOHXCAJCKF-SFHVURJKSA-N 1 0 391.515 3.598 20 30 GHEDRO C=CCc1cc(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)cc(OC)c1OC ZINC000489925691 852649801 /nfs/dbraw/zinc/64/98/01/852649801.db2.gz ASXGWBMAIDGTCT-NRFANRHFSA-N 1 0 382.504 3.742 20 30 GHEDRO CC(C)(CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc2c(c1)OCO2 ZINC000329862542 862379508 /nfs/dbraw/zinc/37/95/08/862379508.db2.gz YPMOUYFVJVUJDI-UHFFFAOYSA-N 1 0 387.524 3.557 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000425697063 852677148 /nfs/dbraw/zinc/67/71/48/852677148.db2.gz DFYCZRDJAFDERD-HMFYCAOWSA-N 1 0 376.504 3.924 20 30 GHEDRO COC[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(F)c(F)c1 ZINC000437079428 852706100 /nfs/dbraw/zinc/70/61/00/852706100.db2.gz CORFRBFJQYRYER-LBXVMSDZSA-N 1 0 387.430 3.899 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437092423 852724613 /nfs/dbraw/zinc/72/46/13/852724613.db2.gz MBNKGJWUAGONSS-IJNIYJAUSA-N 1 0 396.466 3.789 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@@H]1C ZINC000437104516 852740353 /nfs/dbraw/zinc/74/03/53/852740353.db2.gz FWMSQWWQPYUGKU-UIOONULUSA-N 1 0 385.508 3.601 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1CCC1CCCC1 ZINC000669032232 852768140 /nfs/dbraw/zinc/76/81/40/852768140.db2.gz DQHYVNVEFARGIK-HBMCJLEFSA-N 1 0 399.583 3.939 20 30 GHEDRO Cc1c(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cccc1C(=O)N1CCSCC1 ZINC000329885237 862397730 /nfs/dbraw/zinc/39/77/30/862397730.db2.gz UHRQZOVEQZNKBW-HUUCEWRRSA-N 1 0 375.538 3.645 20 30 GHEDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC(CCC#N)CC3)c2C1 ZINC000516649226 852837836 /nfs/dbraw/zinc/83/78/36/852837836.db2.gz DCJIEONQSOWKKQ-KRWDZBQOSA-N 1 0 396.535 3.528 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000507451726 852926379 /nfs/dbraw/zinc/92/63/79/852926379.db2.gz UUADZWRGQUDUMH-FUHWJXTLSA-N 1 0 376.520 3.683 20 30 GHEDRO C=CC[C@H](CC)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000507451728 852926612 /nfs/dbraw/zinc/92/66/12/852926612.db2.gz UUADZWRGQUDUMH-WMZOPIPTSA-N 1 0 376.520 3.683 20 30 GHEDRO CCN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000507476645 852950021 /nfs/dbraw/zinc/95/00/21/852950021.db2.gz GMZZBBZUQIJAII-FXAWDEMLSA-N 1 0 379.479 3.924 20 30 GHEDRO CC(C)(C#N)CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000429617179 852966671 /nfs/dbraw/zinc/96/66/71/852966671.db2.gz AKAMCBIYCCNRHW-UHFFFAOYSA-N 1 0 390.531 3.883 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506052795 853163473 /nfs/dbraw/zinc/16/34/73/853163473.db2.gz YZUSQARAGKAWBK-OAHLLOKOSA-N 1 0 392.956 3.838 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506052794 853163780 /nfs/dbraw/zinc/16/37/80/853163780.db2.gz YZUSQARAGKAWBK-HNNXBMFYSA-N 1 0 392.956 3.838 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000438995346 853169527 /nfs/dbraw/zinc/16/95/27/853169527.db2.gz CYJDCBIILJBCIB-ZLNRFVROSA-N 1 0 397.563 3.956 20 30 GHEDRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000329944439 862445393 /nfs/dbraw/zinc/44/53/93/862445393.db2.gz FEKTZIBOXFOKIR-UHFFFAOYSA-N 1 0 398.555 3.716 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000437647459 853360719 /nfs/dbraw/zinc/36/07/19/853360719.db2.gz CWAOMUAJSCXHAU-DWLFOUALSA-N 1 0 385.552 3.841 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000437639025 853369824 /nfs/dbraw/zinc/36/98/24/853369824.db2.gz HWONPPXXCHWADT-FGZHOGPDSA-N 1 0 385.552 3.699 20 30 GHEDRO O=C(Nc1ccc(N2CCCCC2)c2ncccc12)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000329959607 862457797 /nfs/dbraw/zinc/45/77/97/862457797.db2.gz RFUNPNWYGPSNAS-SFHVURJKSA-N 1 0 391.519 3.717 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC1 ZINC000329960779 862461075 /nfs/dbraw/zinc/46/10/75/862461075.db2.gz RUIMJHBBCYVYJK-UHFFFAOYSA-N 1 0 387.459 3.952 20 30 GHEDRO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C(C)(C)C1 ZINC000329964266 862463622 /nfs/dbraw/zinc/46/36/22/862463622.db2.gz UKKLTQOZCBUECL-OAHLLOKOSA-N 1 0 375.538 3.584 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000029754315 853461689 /nfs/dbraw/zinc/46/16/89/853461689.db2.gz OATXNLRJAVYCOM-IEBWSBKVSA-N 1 0 397.544 3.976 20 30 GHEDRO CC[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N1CC[C@]2(CCOC2)C1 ZINC000261987070 853478708 /nfs/dbraw/zinc/47/87/08/853478708.db2.gz QJCXAIBCPXMXAU-SFHVURJKSA-N 1 0 378.929 3.528 20 30 GHEDRO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000586775184 853516302 /nfs/dbraw/zinc/51/63/02/853516302.db2.gz ITFZLJWNJNIDEN-ISKFKSNPSA-N 1 0 378.516 3.936 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000586772798 853516350 /nfs/dbraw/zinc/51/63/50/853516350.db2.gz TWRLYLDPXRMNSU-HSZRJFAPSA-N 1 0 375.516 3.970 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1O ZINC000426356483 853545758 /nfs/dbraw/zinc/54/57/58/853545758.db2.gz KPEJZAAOSROLSM-PBPGXSGUSA-N 1 0 395.503 3.968 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2CCC2(C)C)c1C#N ZINC000517245519 853556032 /nfs/dbraw/zinc/55/60/32/853556032.db2.gz ZPVTVVSDRAHGRG-LJQANCHMSA-N 1 0 382.483 3.881 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000518630325 853590369 /nfs/dbraw/zinc/59/03/69/853590369.db2.gz LDYBFNKNECDANJ-MRXNPFEDSA-N 1 0 396.413 3.591 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1O ZINC000164040081 853650549 /nfs/dbraw/zinc/65/05/49/853650549.db2.gz PBYJFRFFVMNTLD-UHFFFAOYSA-N 1 0 394.515 3.832 20 30 GHEDRO CC(C)NC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccccc1 ZINC000044557332 853657426 /nfs/dbraw/zinc/65/74/26/853657426.db2.gz MYUHLXUEYSODKM-UHFFFAOYSA-O 1 0 398.552 3.896 20 30 GHEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571040235 853702065 /nfs/dbraw/zinc/70/20/65/853702065.db2.gz XWNFAORKFIJQFL-CYBMUJFWSA-N 1 0 397.327 3.860 20 30 GHEDRO COc1ccccc1[C@@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)[NH+]1CCCCC1 ZINC000587363535 853783896 /nfs/dbraw/zinc/78/38/96/853783896.db2.gz VKRRBMDGYHIUNV-LJQANCHMSA-N 1 0 395.463 3.696 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(O)c(OC)c1 ZINC000164186348 853786410 /nfs/dbraw/zinc/78/64/10/853786410.db2.gz XRESBBZTIABTEZ-GOSISDBHSA-N 1 0 395.503 3.683 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)c1O ZINC000164283416 853902883 /nfs/dbraw/zinc/90/28/83/853902883.db2.gz AZNFDNGBCYWSSY-UHFFFAOYSA-N 1 0 382.504 3.853 20 30 GHEDRO C=CCn1c(C2CC2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571569579 853930038 /nfs/dbraw/zinc/93/00/38/853930038.db2.gz GAPXEHHXRZWRPE-HSZRJFAPSA-N 1 0 377.536 3.834 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C1 ZINC000571540453 853943243 /nfs/dbraw/zinc/94/32/43/853943243.db2.gz CDGMBWKRLUAGFM-IBGZPJMESA-N 1 0 380.540 3.641 20 30 GHEDRO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156664395 853976527 /nfs/dbraw/zinc/97/65/27/853976527.db2.gz UPGSMVCDLNMYRG-OAQYLSRUSA-N 1 0 399.535 3.703 20 30 GHEDRO N#Cc1ccc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)cc1Cl ZINC000571720721 854026805 /nfs/dbraw/zinc/02/68/05/854026805.db2.gz XDWQDKFRITZZNY-GOSISDBHSA-N 1 0 380.835 3.835 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000481911065 862526470 /nfs/dbraw/zinc/52/64/70/862526470.db2.gz CSLZGPWKRKITLY-BJKOFHAPSA-N 1 0 375.516 3.989 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000481924521 862531533 /nfs/dbraw/zinc/53/15/33/862531533.db2.gz LHDNVZKPQIIZOQ-AOMKIAJQSA-N 1 0 397.544 3.927 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000112526285 854257858 /nfs/dbraw/zinc/25/78/58/854257858.db2.gz OHUDXTICLXORNX-IBGZPJMESA-N 1 0 398.572 3.989 20 30 GHEDRO N#CCCCCCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000588373404 854299206 /nfs/dbraw/zinc/29/92/06/854299206.db2.gz ANCPFWZFBOQNBE-UHFFFAOYSA-N 1 0 377.916 3.773 20 30 GHEDRO C=C(Br)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000164818662 854313290 /nfs/dbraw/zinc/31/32/90/854313290.db2.gz VTTLPWYEZMOKAU-MSOLQXFVSA-N 1 0 392.341 3.591 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000113235485 854450667 /nfs/dbraw/zinc/45/06/67/854450667.db2.gz QPGCFPCLKZXCSL-IBGZPJMESA-N 1 0 394.515 3.881 20 30 GHEDRO CCC[N@H+](CCc1cccs1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000184512723 854453952 /nfs/dbraw/zinc/45/39/52/854453952.db2.gz RAWUOLLWXPEEQO-UHFFFAOYSA-N 1 0 393.516 3.699 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2ccc(-c3ccc(C4OCCCO4)cc3)cn2)CC1 ZINC001162231001 862570221 /nfs/dbraw/zinc/57/02/21/862570221.db2.gz AGAJQTANILJSQD-UHFFFAOYSA-N 1 0 378.476 3.584 20 30 GHEDRO Cc1cn2c(n1)[C@@H](CNC(=O)N1CC[N@H+](Cc3ccccc3)C(C)(C)C1)CCC2 ZINC000328659847 854493378 /nfs/dbraw/zinc/49/33/78/854493378.db2.gz UGSQWIFLWNRLDU-HXUWFJFHSA-N 1 0 395.551 3.579 20 30 GHEDRO CC(=O)NC1CCC(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000328705812 854516330 /nfs/dbraw/zinc/51/63/30/854516330.db2.gz PJYUGDACPLBQEI-UHFFFAOYSA-N 1 0 378.561 3.776 20 30 GHEDRO N#CC1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000328715687 854519716 /nfs/dbraw/zinc/51/97/16/854519716.db2.gz DLVIVTIBDLTQBL-XZOQPEGZSA-N 1 0 388.515 3.804 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)C(=O)NCC[NH+]1CCCCC1 ZINC000328795652 854560012 /nfs/dbraw/zinc/56/00/12/854560012.db2.gz UFLKOHAJXRZYCP-CZUORRHYSA-N 1 0 381.567 3.866 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21)NC(=O)NC1CCCCC1 ZINC000328798201 854561053 /nfs/dbraw/zinc/56/10/53/854561053.db2.gz FVEOZYYJRFLKAF-KRWDZBQOSA-N 1 0 383.496 3.704 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCCc3c2cnn3C)CC1 ZINC000330107761 862580177 /nfs/dbraw/zinc/58/01/77/862580177.db2.gz MOTCFEQMFJNEOL-YLJYHZDGSA-N 1 0 387.572 3.688 20 30 GHEDRO C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000330109882 862580407 /nfs/dbraw/zinc/58/04/07/862580407.db2.gz PUTJGXMTYUTMAA-OALUTQOASA-N 1 0 385.552 3.883 20 30 GHEDRO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000328876767 854594337 /nfs/dbraw/zinc/59/43/37/854594337.db2.gz STCAGOXGIYAJPI-QZTJIDSGSA-N 1 0 377.554 3.879 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)CC1 ZINC000328938272 854609380 /nfs/dbraw/zinc/60/93/80/854609380.db2.gz DHYYANYVAWXCNJ-QBEBGNSCSA-N 1 0 398.551 3.601 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328938802 854609476 /nfs/dbraw/zinc/60/94/76/854609476.db2.gz RQOOZFULPPQQGM-HUUCEWRRSA-N 1 0 376.407 3.598 20 30 GHEDRO CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000328912439 854619757 /nfs/dbraw/zinc/61/97/57/854619757.db2.gz HGSJLWXJUPJLSE-QGZVFWFLSA-N 1 0 379.451 3.808 20 30 GHEDRO COC(=O)c1ccc(Cl)c(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000589194622 854741297 /nfs/dbraw/zinc/74/12/97/854741297.db2.gz WEHWXGNXXFJFGC-UHFFFAOYSA-N 1 0 385.895 3.562 20 30 GHEDRO CCOc1c(Br)cc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1OC ZINC000330787833 854759121 /nfs/dbraw/zinc/75/91/21/854759121.db2.gz XSJCHUDBHUXCLE-UHFFFAOYSA-N 1 0 399.329 3.893 20 30 GHEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000330975119 854789360 /nfs/dbraw/zinc/78/93/60/854789360.db2.gz JPDCEQZOUAEQDW-UHFFFAOYSA-N 1 0 375.300 3.604 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c(OC)c1OC ZINC000589310362 854803716 /nfs/dbraw/zinc/80/37/16/854803716.db2.gz WPACQZZSIBLEIA-UHFFFAOYSA-N 1 0 380.366 3.893 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)C[C@@H]1C ZINC000331108120 854806230 /nfs/dbraw/zinc/80/62/30/854806230.db2.gz HCHMUJCVNDSVJR-AAEUAGOBSA-N 1 0 385.867 3.616 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000572632053 854935472 /nfs/dbraw/zinc/93/54/72/854935472.db2.gz QVGAFMSTMCEVRB-PKOBYXMFSA-N 1 0 388.920 3.911 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC2(CC2)c2ccccc21 ZINC000669334592 855031231 /nfs/dbraw/zinc/03/12/31/855031231.db2.gz BZONSOQLYKRKGW-XLIONFOSSA-N 1 0 391.519 3.573 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cc(C)ccc1C ZINC000669334632 855031918 /nfs/dbraw/zinc/03/19/18/855031918.db2.gz JHHDKCZWTOLRHK-RTWAWAEBSA-N 1 0 395.551 3.643 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1 ZINC000330175129 862635359 /nfs/dbraw/zinc/63/53/59/862635359.db2.gz IVBDSOMTWKIRTJ-NIKGAXFTSA-N 1 0 379.932 3.673 20 30 GHEDRO C[NH+]1CCC(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000273167726 855067760 /nfs/dbraw/zinc/06/77/60/855067760.db2.gz DITYZWWXELBUDM-UHFFFAOYSA-N 1 0 379.479 3.958 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000330190509 862649478 /nfs/dbraw/zinc/64/94/78/862649478.db2.gz WEAPXODTXKQWLP-CABCVRRESA-N 1 0 380.558 3.534 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000106243401 855201450 /nfs/dbraw/zinc/20/14/50/855201450.db2.gz DNJCAJPMTCBDFJ-INIZCTEOSA-N 1 0 397.906 3.877 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000106255254 855202278 /nfs/dbraw/zinc/20/22/78/855202278.db2.gz RPKLXIFMCADZEU-QGZVFWFLSA-N 1 0 389.540 3.885 20 30 GHEDRO Cc1cc(F)ccc1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000589998590 855219848 /nfs/dbraw/zinc/21/98/48/855219848.db2.gz LVDWZSSWHSNWSK-OAQYLSRUSA-N 1 0 382.479 3.820 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cn1 ZINC000106647406 855276351 /nfs/dbraw/zinc/27/63/51/855276351.db2.gz CAMBMXWKYHYHNK-UHFFFAOYSA-N 1 0 393.422 3.500 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C2)CC1 ZINC000590375559 855385265 /nfs/dbraw/zinc/38/52/65/855385265.db2.gz HQJQNUKXZGUHAH-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO CC(C)[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(Cl)cc1 ZINC000330226049 862675625 /nfs/dbraw/zinc/67/56/25/862675625.db2.gz UGCQIXMKYNOXHS-LJQANCHMSA-N 1 0 389.931 3.948 20 30 GHEDRO C[N@H+](CCCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465639564 855468144 /nfs/dbraw/zinc/46/81/44/855468144.db2.gz VOXFUZONYBTKHU-XZOQPEGZSA-N 1 0 390.531 3.990 20 30 GHEDRO C[C@@]1(CNC(=O)N2CCC(c3c[nH]cn3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000330245085 862689505 /nfs/dbraw/zinc/68/95/05/862689505.db2.gz DOGVDWCXVGJPCH-QFIPXVFZSA-N 1 0 381.524 3.558 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1cccc(Cl)c1 ZINC000590750719 855563950 /nfs/dbraw/zinc/56/39/50/855563950.db2.gz FXGLYMWTKDDCTH-AQNXPRMDSA-N 1 0 389.927 3.602 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000330267923 862706655 /nfs/dbraw/zinc/70/66/55/862706655.db2.gz IJCORIWVJSLVLQ-GOSISDBHSA-N 1 0 377.916 3.932 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@H]1CN(C)CCO1 ZINC000590856150 855630621 /nfs/dbraw/zinc/63/06/21/855630621.db2.gz CHYGAZMJXCHOFJ-DNVCBOLYSA-N 1 0 396.516 3.550 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)C[C@H](C)NC(=O)C3CCCC3)C1)CCCC2 ZINC000330266934 862705268 /nfs/dbraw/zinc/70/52/68/862705268.db2.gz HVTNMEMMKFHQCX-MAUKXSAKSA-N 1 0 386.540 3.769 20 30 GHEDRO C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000590939403 855664746 /nfs/dbraw/zinc/66/47/46/855664746.db2.gz CTGPCGWZYOGTSL-MBSDFSHPSA-N 1 0 388.515 3.709 20 30 GHEDRO CCc1nnc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C#N)c1CC ZINC000301615485 855726495 /nfs/dbraw/zinc/72/64/95/855726495.db2.gz JBIXBLSWDMONAO-CALCHBBNSA-N 1 0 393.535 3.694 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000591037346 855731083 /nfs/dbraw/zinc/73/10/83/855731083.db2.gz QNJZYGIZZMGDOL-RSPOEFSDSA-N 1 0 395.528 3.666 20 30 GHEDRO N#Cc1nc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)ccc1C(F)(F)F ZINC000574698873 855742006 /nfs/dbraw/zinc/74/20/06/855742006.db2.gz WKRRWWRRRPTGAF-UHFFFAOYSA-N 1 0 394.426 3.517 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000330279479 862716205 /nfs/dbraw/zinc/71/62/05/862716205.db2.gz RCIFUWVURZEWNY-TYPHKJRUSA-N 1 0 395.551 3.865 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000237199297 855761135 /nfs/dbraw/zinc/76/11/35/855761135.db2.gz MNRDCCVXANGEDP-HXUWFJFHSA-N 1 0 386.540 3.916 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000591066829 855764233 /nfs/dbraw/zinc/76/42/33/855764233.db2.gz XHOUODVRGXRRFI-HBMCJLEFSA-N 1 0 383.561 3.502 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000591066832 855764404 /nfs/dbraw/zinc/76/44/04/855764404.db2.gz XHOUODVRGXRRFI-PWRODBHTSA-N 1 0 383.561 3.502 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cc1 ZINC000237202860 855776680 /nfs/dbraw/zinc/77/66/80/855776680.db2.gz GKVUGIKWSHSKPX-UHFFFAOYSA-N 1 0 386.609 3.878 20 30 GHEDRO N#Cc1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)cc1C(F)(F)F ZINC000302017357 855801788 /nfs/dbraw/zinc/80/17/88/855801788.db2.gz GGWQKZSPCANPDD-UHFFFAOYSA-N 1 0 381.442 3.906 20 30 GHEDRO C[NH+](C)[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000302226207 855841456 /nfs/dbraw/zinc/84/14/56/855841456.db2.gz SITZQJVHLOUJAQ-CQSZACIVSA-N 1 0 379.342 3.595 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000057274244 855841622 /nfs/dbraw/zinc/84/16/22/855841622.db2.gz ALWPRRMRUZRCKX-UHFFFAOYSA-N 1 0 397.482 3.528 20 30 GHEDRO CCOC(=O)CC(C)(C)CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000554222131 855859536 /nfs/dbraw/zinc/85/95/36/855859536.db2.gz ZCAJDKDUYBOTBQ-UHFFFAOYSA-N 1 0 394.519 3.598 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)c2)cc1 ZINC000108515267 855920836 /nfs/dbraw/zinc/92/08/36/855920836.db2.gz KFHOYLJAELZSAE-IBGZPJMESA-N 1 0 376.460 3.956 20 30 GHEDRO CC1CCN([C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)c2cccs2)CC1 ZINC000123150069 855962253 /nfs/dbraw/zinc/96/22/53/855962253.db2.gz AQPPLFIMGVUFKA-LJQANCHMSA-N 1 0 379.533 3.830 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC3CCCCC3)nc2)CC1 ZINC000520696565 856038988 /nfs/dbraw/zinc/03/89/88/856038988.db2.gz FTKNXYUNNYUKMG-UHFFFAOYSA-N 1 0 386.540 3.633 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCO[C@H](c3ccc(OC)cc3)C1)C2 ZINC001168655617 856096118 /nfs/dbraw/zinc/09/61/18/856096118.db2.gz ZLKFHOBCLFUULY-XXTHSBEZSA-N 1 0 387.520 3.741 20 30 GHEDRO N#CC1(CNC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000573424148 856118722 /nfs/dbraw/zinc/11/87/22/856118722.db2.gz DGPXEXFQKBLJLG-UHFFFAOYSA-N 1 0 395.334 3.905 20 30 GHEDRO CC(C)[N@H+](Cc1cccc(Br)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000573444363 856128416 /nfs/dbraw/zinc/12/84/16/856128416.db2.gz AOLYSCLLBAKKDJ-UHFFFAOYSA-N 1 0 384.281 3.774 20 30 GHEDRO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C[C@@H]1CC=CCC1 ZINC000485121114 856134818 /nfs/dbraw/zinc/13/48/18/856134818.db2.gz NXPUSWFCQPONPU-OAQYLSRUSA-N 1 0 383.536 3.855 20 30 GHEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4cccc(C#N)c4)C3)nc2c1 ZINC000536472215 856167573 /nfs/dbraw/zinc/16/75/73/856167573.db2.gz NHYLZKCRVMZKDI-WMZOPIPTSA-N 1 0 387.487 3.950 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000172261902 856272020 /nfs/dbraw/zinc/27/20/20/856272020.db2.gz UINSFYRXODLLRM-QGZVFWFLSA-N 1 0 380.492 3.518 20 30 GHEDRO CCC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccccc1Br ZINC000573572841 856296077 /nfs/dbraw/zinc/29/60/77/856296077.db2.gz HWHAJDUMYOSJJI-HNNXBMFYSA-N 1 0 380.330 3.984 20 30 GHEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1ccc(C#N)nc1)Cc1ccccc1 ZINC000487451440 862779875 /nfs/dbraw/zinc/77/98/75/862779875.db2.gz NGWRIPBOWRPXFD-UHFFFAOYSA-N 1 0 384.483 3.728 20 30 GHEDRO N#Cc1ccccc1NC(=S)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000905546711 856379529 /nfs/dbraw/zinc/37/95/29/856379529.db2.gz VEPIOQPRJIRQOO-LJQANCHMSA-N 1 0 377.517 3.652 20 30 GHEDRO CC(C)c1ccc(-c2noc(CO[NH+]=C(N)c3ccc(N(C)C)cc3)n2)cc1 ZINC000733191875 862790806 /nfs/dbraw/zinc/79/08/06/862790806.db2.gz RPWNXOMSVVFBRR-UHFFFAOYSA-N 1 0 379.464 3.763 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000591893387 856407942 /nfs/dbraw/zinc/40/79/42/856407942.db2.gz AMIKBMGPFOSMNQ-UHFFFAOYSA-N 1 0 392.503 3.621 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000905618181 856440360 /nfs/dbraw/zinc/44/03/60/856440360.db2.gz WGAAEGUUBKGDSC-KRWDZBQOSA-N 1 0 384.430 3.670 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000172584405 856491703 /nfs/dbraw/zinc/49/17/03/856491703.db2.gz XFIUGIHOJUMSGW-UTKZUKDTSA-N 1 0 394.494 3.892 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000427819586 856766219 /nfs/dbraw/zinc/76/62/19/856766219.db2.gz RAXLAOFZWUZAMP-OAVHHTNSSA-N 1 0 389.908 3.892 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCCOc2ccc(Cl)cc2)CC1 ZINC000592293498 856767486 /nfs/dbraw/zinc/76/74/86/856767486.db2.gz NCLKLBKGFMYKDR-UHFFFAOYSA-N 1 0 379.932 3.839 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000159575895 862834212 /nfs/dbraw/zinc/83/42/12/862834212.db2.gz QAKODJJWSGRLAL-XLIONFOSSA-N 1 0 386.540 3.513 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccs1 ZINC000111770771 857006055 /nfs/dbraw/zinc/00/60/55/857006055.db2.gz LJUFWUVADNIPTA-FQEVSTJZSA-N 1 0 390.512 3.967 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)c1ccc(COc2ccccc2C#N)o1)C(C)C ZINC000173612870 857030346 /nfs/dbraw/zinc/03/03/46/857030346.db2.gz OZGYDXZCZZZCDJ-UHFFFAOYSA-N 1 0 383.492 3.969 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000111878607 857032688 /nfs/dbraw/zinc/03/26/88/857032688.db2.gz KBINWMXLAYLXJX-QFIPXVFZSA-N 1 0 388.515 3.506 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc(OC)c1O ZINC000482278045 862877592 /nfs/dbraw/zinc/87/75/92/862877592.db2.gz OCDFSBMJDYOIEP-UHFFFAOYSA-N 1 0 385.479 3.838 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000733330238 862871166 /nfs/dbraw/zinc/87/11/66/862871166.db2.gz NXCIFQVQNBRDDD-LJQANCHMSA-N 1 0 386.540 3.916 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccccc2N2CCOCC2)ccc1OC ZINC000733330377 862873451 /nfs/dbraw/zinc/87/34/51/862873451.db2.gz VRPQOARDZOCHJH-FQEVSTJZSA-N 1 0 395.503 3.503 20 30 GHEDRO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC#N)CCC[NH+](C)C)cc12 ZINC000064361787 857135775 /nfs/dbraw/zinc/13/57/75/857135775.db2.gz LFVFZUVJUTTZIM-UHFFFAOYSA-N 1 0 395.532 3.703 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888413819 857236507 /nfs/dbraw/zinc/23/65/07/857236507.db2.gz HOWRLAYITFVZNH-UHFFFAOYSA-N 1 0 389.912 3.796 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000921962090 857329351 /nfs/dbraw/zinc/32/93/51/857329351.db2.gz WCEJRQMHVOVWFI-OFNKIYASSA-N 1 0 388.515 3.682 20 30 GHEDRO Cc1nc(-c2ccccc2)oc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000174645369 857356296 /nfs/dbraw/zinc/35/62/96/857356296.db2.gz GMXKCAPSNKVWQZ-UHFFFAOYSA-N 1 0 388.471 3.726 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174721755 857368965 /nfs/dbraw/zinc/36/89/65/857368965.db2.gz YETXHNJVNCXOIG-OAHLLOKOSA-N 1 0 376.460 3.586 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246738754 857446718 /nfs/dbraw/zinc/44/67/18/857446718.db2.gz PHYIGEFSLBOURW-HUUCEWRRSA-N 1 0 391.899 3.594 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000246787529 857461764 /nfs/dbraw/zinc/46/17/64/857461764.db2.gz RCCCBEIDKRBMKU-VXKWHMMOSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CCc1ccccc1 ZINC000521070385 857560186 /nfs/dbraw/zinc/56/01/86/857560186.db2.gz SZLLMDZWKWLFHM-UHFFFAOYSA-N 1 0 391.515 3.873 20 30 GHEDRO Cc1ccc(NC(=O)Cc2ccc(Br)cc2C#N)c(C[NH+](C)C)c1 ZINC000593062514 862933010 /nfs/dbraw/zinc/93/30/10/862933010.db2.gz HGBIQABIBPYANJ-UHFFFAOYSA-N 1 0 386.293 3.872 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000521131874 857642070 /nfs/dbraw/zinc/64/20/70/857642070.db2.gz LOQZCWMQDWUPHB-OAQYLSRUSA-N 1 0 386.503 3.547 20 30 GHEDRO N#Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1Cl ZINC000521133310 857644342 /nfs/dbraw/zinc/64/43/42/857644342.db2.gz KEQPZKJQBWUYON-PMACEKPBSA-N 1 0 379.891 3.806 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCC1(C#N)CCCC1)C1CCCCC1 ZINC000593672513 857652674 /nfs/dbraw/zinc/65/26/74/857652674.db2.gz DSFRKIULISOZBU-UHFFFAOYSA-N 1 0 396.535 3.590 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499596094 857663954 /nfs/dbraw/zinc/66/39/54/857663954.db2.gz YYGURADGLHJAQV-SJORKVTESA-N 1 0 378.476 3.694 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000593690676 857676110 /nfs/dbraw/zinc/67/61/10/857676110.db2.gz MSLDSEAXPGBMTN-VQTJNVASSA-N 1 0 388.471 3.866 20 30 GHEDRO CC(C)C[C@H](CNC(=O)COc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000521177889 857707567 /nfs/dbraw/zinc/70/75/67/857707567.db2.gz PCRGJAPUNXECTQ-WIYYLYMNSA-N 1 0 379.504 3.819 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031565559 857754378 /nfs/dbraw/zinc/75/43/78/857754378.db2.gz KVEVULVJJJYRMS-IBGZPJMESA-N 1 0 388.471 3.645 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000594251723 857999466 /nfs/dbraw/zinc/99/94/66/857999466.db2.gz NZACAPIZYNMRDT-RTBURBONSA-N 1 0 398.551 3.885 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000043574352 858000090 /nfs/dbraw/zinc/00/00/90/858000090.db2.gz KNCOIRCBWLTTKI-QGZVFWFLSA-N 1 0 377.492 3.583 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000466048887 858012253 /nfs/dbraw/zinc/01/22/53/858012253.db2.gz JYNDLUBZXYHUSS-BBRMVZONSA-N 1 0 398.320 3.769 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000521482354 858053275 /nfs/dbraw/zinc/05/32/75/858053275.db2.gz MVIBFFWMZVYBDW-WZONZLPQSA-N 1 0 389.499 3.836 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000439026833 858098101 /nfs/dbraw/zinc/09/81/01/858098101.db2.gz KARQMMRQJRPKFF-KRWDZBQOSA-N 1 0 378.476 3.626 20 30 GHEDRO Oc1ccc(/C=N/C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c(O)c1O ZINC000126932554 858109613 /nfs/dbraw/zinc/10/96/13/858109613.db2.gz GKDYXXTUKKZOFU-BHGWPJFGSA-N 1 0 394.393 3.906 20 30 GHEDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000574755412 858161627 /nfs/dbraw/zinc/16/16/27/858161627.db2.gz MFPUBJUTWXARJF-SJORKVTESA-N 1 0 392.381 3.935 20 30 GHEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000281378513 862991713 /nfs/dbraw/zinc/99/17/13/862991713.db2.gz MEKTVRJICPTPPR-HTAPYJJXSA-N 1 0 394.475 3.552 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594436648 858177412 /nfs/dbraw/zinc/17/74/12/858177412.db2.gz FEZOOFCKXMTDRA-ZWKOTPCHSA-N 1 0 381.524 3.734 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)s2)cc1 ZINC000594442033 858178323 /nfs/dbraw/zinc/17/83/23/858178323.db2.gz AOJSOQNWEQEJRX-CXAGYDPISA-N 1 0 386.521 3.716 20 30 GHEDRO COc1ccc([C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2Cl)cc1 ZINC000594447695 858178997 /nfs/dbraw/zinc/17/89/97/858178997.db2.gz VJJPVQOAFAGQQQ-UXHICEINSA-N 1 0 385.895 3.965 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000442875682 858192445 /nfs/dbraw/zinc/19/24/45/858192445.db2.gz OOTABFQFHYUDMV-PUYPPJJSSA-N 1 0 377.204 3.783 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000466097519 858214495 /nfs/dbraw/zinc/21/44/95/858214495.db2.gz HHHORDLPHOAZJD-YADHBBJMSA-N 1 0 380.536 3.744 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000521705467 858260724 /nfs/dbraw/zinc/26/07/24/858260724.db2.gz XISXXULHYKJECS-UHFFFAOYSA-N 1 0 399.988 3.989 20 30 GHEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1O ZINC000442976119 858265926 /nfs/dbraw/zinc/26/59/26/858265926.db2.gz LGSDIFFCSDSURM-UHFFFAOYSA-N 1 0 391.515 3.729 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000249093528 863003334 /nfs/dbraw/zinc/00/33/34/863003334.db2.gz SZDBLESJCJLVQD-NXXSPTCGSA-N 1 0 387.842 3.798 20 30 GHEDRO CCCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829571 858295314 /nfs/dbraw/zinc/29/53/14/858295314.db2.gz QSMRLEJBWIYUDD-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1ccc(CNC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000521820977 858355404 /nfs/dbraw/zinc/35/54/04/858355404.db2.gz LSLBBGNWZXITST-NRFANRHFSA-N 1 0 393.537 3.945 20 30 GHEDRO C=CCCSCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000595061270 858367149 /nfs/dbraw/zinc/36/71/49/858367149.db2.gz ZSBSCAFJYHTMLM-JTQLQIEISA-N 1 0 383.366 3.601 20 30 GHEDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000595047709 858378987 /nfs/dbraw/zinc/37/89/87/858378987.db2.gz FOUPEROVGODAOV-QPPBQGQZSA-N 1 0 394.515 3.544 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)cc1C ZINC000161621521 858380061 /nfs/dbraw/zinc/38/00/61/858380061.db2.gz JQUQWOSYIGEAKT-FQEVSTJZSA-N 1 0 377.488 3.699 20 30 GHEDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000595242994 858449929 /nfs/dbraw/zinc/44/99/29/858449929.db2.gz ULMCJZPSGAVGCN-FPOVZHCZSA-N 1 0 378.476 3.533 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000595295942 858454146 /nfs/dbraw/zinc/45/41/46/858454146.db2.gz HZQRUQSIKICKQV-NRFANRHFSA-N 1 0 392.528 3.573 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000439128475 858455513 /nfs/dbraw/zinc/45/55/13/858455513.db2.gz FBTJGURLUIBFFS-HNNXBMFYSA-N 1 0 386.377 3.788 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000521947048 858463587 /nfs/dbraw/zinc/46/35/87/858463587.db2.gz TWCOTSRPPDDHRF-UHFFFAOYSA-N 1 0 383.458 3.900 20 30 GHEDRO Cc1nc(SCC(=O)N(CC[NH+](C)C)C2CCCCC2)c(C#N)c(C)c1C ZINC000522033930 858551892 /nfs/dbraw/zinc/55/18/92/858551892.db2.gz AWIKEIZCYOPJEP-UHFFFAOYSA-N 1 0 388.581 3.694 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595552442 858565114 /nfs/dbraw/zinc/56/51/14/858565114.db2.gz VJEXJIQUWOPFSK-UHFFFAOYSA-N 1 0 387.487 3.718 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000522073301 858593130 /nfs/dbraw/zinc/59/31/30/858593130.db2.gz CXIQQZVKWURDTN-RTBURBONSA-N 1 0 376.504 3.723 20 30 GHEDRO COc1cccc([C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[NH+]2CCCC2)c1 ZINC000183460704 858750896 /nfs/dbraw/zinc/75/08/96/858750896.db2.gz KDQQGBUMFCETQN-QFIPXVFZSA-N 1 0 389.499 3.817 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](Nc1ccc(C(F)(F)F)c(C#N)n1)c1ccccc1 ZINC000443507522 858847722 /nfs/dbraw/zinc/84/77/22/858847722.db2.gz BFFPSUKATCAXSN-QGZVFWFLSA-N 1 0 392.425 3.515 20 30 GHEDRO CCc1nc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)sc1C ZINC000593166014 858858143 /nfs/dbraw/zinc/85/81/43/858858143.db2.gz YSCGSZJVZFQTBI-UHFFFAOYSA-N 1 0 383.521 3.672 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429279743 858911842 /nfs/dbraw/zinc/91/18/42/858911842.db2.gz VSMKCTPOQDFNOW-UGSOOPFHSA-N 1 0 392.341 3.670 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2C)c1C#N ZINC000482845724 858914300 /nfs/dbraw/zinc/91/43/00/858914300.db2.gz ROWYFNJDRNTKPM-GDBMZVCRSA-N 1 0 382.483 3.833 20 30 GHEDRO CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000593200068 858966860 /nfs/dbraw/zinc/96/68/60/858966860.db2.gz LGYPGZHFNFAURV-KSSFIOAISA-N 1 0 396.457 3.799 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000522298776 858987580 /nfs/dbraw/zinc/98/75/80/858987580.db2.gz GFMLSMMBBCJLQG-IBGZPJMESA-N 1 0 388.556 3.710 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000530102882 859036390 /nfs/dbraw/zinc/03/63/90/859036390.db2.gz CDGNOCIGSNISJS-XMMPIXPASA-N 1 0 399.498 3.943 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482991057 859045679 /nfs/dbraw/zinc/04/56/79/859045679.db2.gz SJLNSTZKLBHMMG-YOEHRIQHSA-N 1 0 391.309 3.663 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000596724348 859054347 /nfs/dbraw/zinc/05/43/47/859054347.db2.gz PDEHICRXKKZJPN-KRWDZBQOSA-N 1 0 380.492 3.907 20 30 GHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(F)c(C#N)c(F)c3)n2)C1 ZINC000596895605 859133380 /nfs/dbraw/zinc/13/33/80/859133380.db2.gz SSOLULUESZFSRS-LLVKDONJSA-N 1 0 376.432 3.777 20 30 GHEDRO O=C(C[N@H+](CC1CC1)CC1CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000483262873 859256372 /nfs/dbraw/zinc/25/63/72/859256372.db2.gz AZKNGCKUAHPSBW-UHFFFAOYSA-N 1 0 378.438 3.685 20 30 GHEDRO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000597224532 859374590 /nfs/dbraw/zinc/37/45/90/859374590.db2.gz JJAIKRXNLDDKTA-QFIPXVFZSA-N 1 0 386.503 3.569 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1=S ZINC000840182743 859380798 /nfs/dbraw/zinc/38/07/98/859380798.db2.gz ROBWSQPFXSCSHO-QGZVFWFLSA-N 1 0 383.565 3.641 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764361133 859413117 /nfs/dbraw/zinc/41/31/17/859413117.db2.gz KUCNKBNPUYITEG-PWRODBHTSA-N 1 0 380.621 3.650 20 30 GHEDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170359998 881421934 /nfs/dbraw/zinc/42/19/34/881421934.db2.gz LWIFEWDNLKQKGG-ZPGVXSSASA-N 1 0 375.516 3.719 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc(C)cc1 ZINC000131278017 859446112 /nfs/dbraw/zinc/44/61/12/859446112.db2.gz VWNPDTVRSSSYKT-UHFFFAOYSA-O 1 0 379.958 3.827 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@@H]2C1 ZINC001170360237 881424082 /nfs/dbraw/zinc/42/40/82/881424082.db2.gz TZMYPFQUPMPFHF-SDVQCAHRSA-N 1 0 381.520 3.845 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597365161 859463935 /nfs/dbraw/zinc/46/39/35/859463935.db2.gz ZAHXXOAXICKODE-UHFFFAOYSA-N 1 0 377.357 3.573 20 30 GHEDRO CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593337934 859486322 /nfs/dbraw/zinc/48/63/22/859486322.db2.gz GVEKAIPIDVSQSX-JOCHJYFZSA-N 1 0 390.531 3.843 20 30 GHEDRO CC[C@@H]1CCCC[C@H]1OCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593350727 859524438 /nfs/dbraw/zinc/52/44/38/859524438.db2.gz FAXIMECFCFTOEB-IFMALSPDSA-N 1 0 383.536 3.624 20 30 GHEDRO CSc1ccccc1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593351282 859527650 /nfs/dbraw/zinc/52/76/50/859527650.db2.gz LHRLPSYUGFUJQF-UHFFFAOYSA-N 1 0 379.529 3.603 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)CC2)c1 ZINC000593352523 859534765 /nfs/dbraw/zinc/53/47/65/859534765.db2.gz DNQSGBSLIXMCME-FPOVZHCZSA-N 1 0 395.453 3.721 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCSc3ccccc3F)CC2)c1 ZINC000593352692 859535949 /nfs/dbraw/zinc/53/59/49/859535949.db2.gz LGROTLNXJUZSJS-UHFFFAOYSA-N 1 0 397.519 3.960 20 30 GHEDRO Cc1ccccc1C(C)(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352767 859536082 /nfs/dbraw/zinc/53/60/82/859536082.db2.gz BEMRWYIXSSNXRV-UHFFFAOYSA-N 1 0 375.516 3.925 20 30 GHEDRO CSc1ccc([C@H](O)[C@H](CO)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170369496 881432959 /nfs/dbraw/zinc/43/29/59/881432959.db2.gz WMSCZGQHSREWHE-CIFBLZBGSA-N 1 0 396.556 3.797 20 30 GHEDRO COc1ccc(CCCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593353959 859549874 /nfs/dbraw/zinc/54/98/74/859549874.db2.gz HLNLPKUHIMNDNC-UHFFFAOYSA-N 1 0 391.515 3.670 20 30 GHEDRO Cc1cc(C)cc(C2(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)CC2)c1 ZINC000593355935 859566137 /nfs/dbraw/zinc/56/61/37/859566137.db2.gz SWOJXDIQPHVQQE-UHFFFAOYSA-N 1 0 387.527 3.988 20 30 GHEDRO Cc1ccccc1OCCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593356619 859574556 /nfs/dbraw/zinc/57/45/56/859574556.db2.gz YOJAKDFYHWFVRH-UHFFFAOYSA-N 1 0 391.515 3.807 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000665394313 859575625 /nfs/dbraw/zinc/57/56/25/859575625.db2.gz JHIDUVNQBBKTGO-KNQAVFIVSA-N 1 0 384.568 3.865 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@H]1C ZINC000611226771 859651032 /nfs/dbraw/zinc/65/10/32/859651032.db2.gz KHKCBXLDIYLYCQ-HZPDHXFCSA-N 1 0 379.464 3.692 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)cc1OCCCC#N ZINC000114510788 859656091 /nfs/dbraw/zinc/65/60/91/859656091.db2.gz CNJINLCINQIVIC-FQEVSTJZSA-N 1 0 393.487 3.663 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000611229888 859660674 /nfs/dbraw/zinc/66/06/74/859660674.db2.gz ODQSDIUZGUPACW-OTWHNJEPSA-N 1 0 376.504 3.924 20 30 GHEDRO C[C@@H]1[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC(=O)N1Cc1ccccc1 ZINC000466478252 859665334 /nfs/dbraw/zinc/66/53/34/859665334.db2.gz YFMJSTXDXLISLM-XMSQKQJNSA-N 1 0 377.488 3.648 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2cccnc2)CC1 ZINC000611258988 859669193 /nfs/dbraw/zinc/66/91/93/859669193.db2.gz RYMPWTFKXLDLJU-KRWDZBQOSA-N 1 0 380.467 3.735 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000611306917 859688391 /nfs/dbraw/zinc/68/83/91/859688391.db2.gz ALSSKQWMYAPFSC-UHFFFAOYSA-N 1 0 379.414 3.530 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)N2Cc3cccc(C#N)c3C2)C[N@@H+]1Cc1ccccc1 ZINC000593383952 859694899 /nfs/dbraw/zinc/69/48/99/859694899.db2.gz CGUGTGXFRSHMEQ-UYAOXDASSA-N 1 0 388.515 3.884 20 30 GHEDRO CC[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1c(C)noc1C ZINC000593384902 859697043 /nfs/dbraw/zinc/69/70/43/859697043.db2.gz WXEVSALUPSWNKQ-FQEVSTJZSA-N 1 0 395.507 3.578 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@H]([NH+]3CCCC3)C2)c1=S ZINC000764963527 859710247 /nfs/dbraw/zinc/71/02/47/859710247.db2.gz PENDOWNTEWMXBZ-LJQANCHMSA-N 1 0 383.565 3.703 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000611362952 859728814 /nfs/dbraw/zinc/72/88/14/859728814.db2.gz IRZVCSCJZFMMJN-OAQYLSRUSA-N 1 0 376.504 3.897 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000764999689 859729291 /nfs/dbraw/zinc/72/92/91/859729291.db2.gz LIWXJJVKGVKRAF-PZJWPPBQSA-N 1 0 376.504 3.590 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000611387074 859731891 /nfs/dbraw/zinc/73/18/91/859731891.db2.gz ZALPUFZUCLHVSV-CYBMUJFWSA-N 1 0 376.287 3.875 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1cccc(C#N)c1 ZINC000611388873 859732977 /nfs/dbraw/zinc/73/29/77/859732977.db2.gz SVVCVFLRNMKIAI-MGPUTAFESA-N 1 0 376.485 3.571 20 30 GHEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000611387721 859733061 /nfs/dbraw/zinc/73/30/61/859733061.db2.gz FSZHKLBEYRQPBN-KKSFZXQISA-N 1 0 393.487 3.590 20 30 GHEDRO Cc1cccc([C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)c1 ZINC000611390614 859734239 /nfs/dbraw/zinc/73/42/39/859734239.db2.gz LAHXERUJLFMMEP-RPWUZVMVSA-N 1 0 375.516 3.907 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H]([NH+](CC)CC)C2)c1=S ZINC000765036502 859743025 /nfs/dbraw/zinc/74/30/25/859743025.db2.gz HNQJFIDAPCZVKY-IBGZPJMESA-N 1 0 385.581 3.949 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474285958 859758584 /nfs/dbraw/zinc/75/85/84/859758584.db2.gz CELLWWIMLJFLOU-INIZCTEOSA-N 1 0 375.538 3.552 20 30 GHEDRO N#CC1(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CC2(CC2)C1 ZINC000602177428 859836710 /nfs/dbraw/zinc/83/67/10/859836710.db2.gz PNXGXQLHBLDYBF-UHFFFAOYSA-N 1 0 377.532 3.975 20 30 GHEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000765277053 859880729 /nfs/dbraw/zinc/88/07/29/859880729.db2.gz OIMJGIMDWBBRMF-IBGZPJMESA-N 1 0 383.515 3.777 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000765314680 859901056 /nfs/dbraw/zinc/90/10/56/859901056.db2.gz VTRFPNWJWWVLDV-UHFFFAOYSA-N 1 0 383.536 3.877 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccc(Cl)nc3)CC2)cc1 ZINC000727074123 859915889 /nfs/dbraw/zinc/91/58/89/859915889.db2.gz ZIHPNGKXZCZJOS-UHFFFAOYSA-N 1 0 385.924 3.511 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765358701 859926982 /nfs/dbraw/zinc/92/69/82/859926982.db2.gz JASWEGLKTCTDBM-UHFFFAOYSA-N 1 0 396.516 3.958 20 30 GHEDRO CCC(=O)N1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000092187143 860003502 /nfs/dbraw/zinc/00/35/02/860003502.db2.gz RQDXXJDGSIXTIS-UHFFFAOYSA-N 1 0 377.488 3.582 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(Cl)o1)NCc1ccc(OC)cc1 ZINC000727242765 860010587 /nfs/dbraw/zinc/01/05/87/860010587.db2.gz JZFIDIQKUBXQNY-UHFFFAOYSA-N 1 0 379.888 3.604 20 30 GHEDRO C=C(C)C[NH+]1CCC(N2C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)CC1 ZINC000761252490 860028747 /nfs/dbraw/zinc/02/87/47/860028747.db2.gz SNCDVZZUCOFHJQ-QGZVFWFLSA-N 1 0 396.318 3.969 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC4(CC4)c4ccccc43)CC2)c1 ZINC000593511955 860076190 /nfs/dbraw/zinc/07/61/90/860076190.db2.gz HTWWHWJOMOBDPM-UHFFFAOYSA-N 1 0 386.499 3.784 20 30 GHEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCCC[C@H]21 ZINC000593514419 860103759 /nfs/dbraw/zinc/10/37/59/860103759.db2.gz WVWUFDWVYFEILA-VOQZNFBZSA-N 1 0 380.536 3.743 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000602570247 860120521 /nfs/dbraw/zinc/12/05/21/860120521.db2.gz SDKWBPDRTOKLMU-CABCVRRESA-N 1 0 381.314 3.905 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000555151420 860122646 /nfs/dbraw/zinc/12/26/46/860122646.db2.gz XTHHFNHURVQUSN-QGZVFWFLSA-N 1 0 383.517 3.912 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598194329 860122773 /nfs/dbraw/zinc/12/27/73/860122773.db2.gz FRTCCCAWGIQSFE-WMZHIEFXSA-N 1 0 375.516 3.512 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)nc1 ZINC000092854514 860147658 /nfs/dbraw/zinc/14/76/58/860147658.db2.gz XPEZJJRIJMBIIJ-UHFFFAOYSA-N 1 0 387.487 3.678 20 30 GHEDRO Cc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000593517743 860149980 /nfs/dbraw/zinc/14/99/80/860149980.db2.gz NIHGPSMKYRRBDW-UHFFFAOYSA-N 1 0 375.432 3.723 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001168544387 860192576 /nfs/dbraw/zinc/19/25/76/860192576.db2.gz OJJXPSBWUYFALC-DPPRONDGSA-N 1 0 384.549 3.855 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000093088372 860206930 /nfs/dbraw/zinc/20/69/30/860206930.db2.gz DEIJGXDVKPHKEQ-UHFFFAOYSA-N 1 0 389.499 3.724 20 30 GHEDRO COc1cccc(N2CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)n1 ZINC001170395065 881517886 /nfs/dbraw/zinc/51/78/86/881517886.db2.gz GUQYSURACPYNOW-UHFFFAOYSA-N 1 0 376.504 3.616 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc(C)cc1 ZINC000131357939 860257760 /nfs/dbraw/zinc/25/77/60/860257760.db2.gz AIDBEBCINBHVRH-UHFFFAOYSA-O 1 0 379.958 3.827 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC3(CC2)OC(=O)c2ccncc23)CC1 ZINC001170395716 881518382 /nfs/dbraw/zinc/51/83/82/881518382.db2.gz NGWDQKVQLOMPLX-UHFFFAOYSA-N 1 0 387.483 3.947 20 30 GHEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000922603716 860304108 /nfs/dbraw/zinc/30/41/08/860304108.db2.gz UIESLPVGWYRXRB-SFTDATJTSA-N 1 0 398.551 3.706 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000904277207 860306116 /nfs/dbraw/zinc/30/61/16/860306116.db2.gz HZVIGBBITGKKGH-PXNSSMCTSA-N 1 0 382.851 3.589 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499963913 860310570 /nfs/dbraw/zinc/31/05/70/860310570.db2.gz KWUCHABMPYXEGS-UHFFFAOYSA-N 1 0 385.405 3.728 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC001170397773 881531484 /nfs/dbraw/zinc/53/14/84/881531484.db2.gz GVHSNMVYEFBZEK-UHFFFAOYSA-N 1 0 389.499 3.554 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508825700 860380193 /nfs/dbraw/zinc/38/01/93/860380193.db2.gz LCDBEGDAAAPTGJ-UHFFFAOYSA-N 1 0 375.879 3.598 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(NC(=O)c3cccnc3)CC2)CC1 ZINC001170398085 881531905 /nfs/dbraw/zinc/53/19/05/881531905.db2.gz LIXVJWRJHUDOFY-UHFFFAOYSA-N 1 0 388.515 3.680 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1C#N ZINC000602977233 860384440 /nfs/dbraw/zinc/38/44/40/860384440.db2.gz ZIULJDSOBXWRED-PXNSSMCTSA-N 1 0 393.491 3.571 20 30 GHEDRO CC(C)[N@H+](C[C@@H](O)COc1cccc2ccccc21)C[C@H](O)CC(C)(C)C#N ZINC000598589276 860435202 /nfs/dbraw/zinc/43/52/02/860435202.db2.gz HIZULZQFBGDPGR-WOJBJXKFSA-N 1 0 384.520 3.591 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000598597363 860439976 /nfs/dbraw/zinc/43/99/76/860439976.db2.gz XFOPHBIKQDDJBF-HZPDHXFCSA-N 1 0 398.288 3.729 20 30 GHEDRO COc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1 ZINC000155248235 860453431 /nfs/dbraw/zinc/45/34/31/860453431.db2.gz JKHIXAGJBFCYGE-INIZCTEOSA-N 1 0 395.528 3.935 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000922675193 860462198 /nfs/dbraw/zinc/46/21/98/860462198.db2.gz BBVNYOOQVKIUDD-RTBURBONSA-N 1 0 381.442 3.612 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1OCCCC#N ZINC000922694109 860467696 /nfs/dbraw/zinc/46/76/96/860467696.db2.gz JKPZAJZPMMMWHU-MAUKXSAKSA-N 1 0 386.414 3.967 20 30 GHEDRO N#Cc1c(C#N)c(N2CCC[C@H]([NH+]3CCCC3)CC2)nc2c1CCCCCC2 ZINC000330025865 860468125 /nfs/dbraw/zinc/46/81/25/860468125.db2.gz BDASMGZPNMEUKC-SFHVURJKSA-N 1 0 377.536 3.939 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C2(CCCCC2)C1 ZINC000330047814 860470953 /nfs/dbraw/zinc/47/09/53/860470953.db2.gz JQIZMPXEWDVHDR-UHFFFAOYSA-N 1 0 390.487 3.836 20 30 GHEDRO CCC[N@H+](CC(=O)NCCSc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000061001758 860526399 /nfs/dbraw/zinc/52/63/99/860526399.db2.gz YSOFQGZVGREJOL-UHFFFAOYSA-N 1 0 381.545 3.987 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000509011891 860529703 /nfs/dbraw/zinc/52/97/03/860529703.db2.gz NZHFFWSPPVTIQU-UHFFFAOYSA-N 1 0 398.514 3.633 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)CC1 ZINC001170381716 881557846 /nfs/dbraw/zinc/55/78/46/881557846.db2.gz WVLVWIIQAFFXPQ-LRGVIFCOSA-N 1 0 389.499 3.688 20 30 GHEDRO C[C@H](CC[NH+](C)C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000522464364 860609543 /nfs/dbraw/zinc/60/95/43/860609543.db2.gz KDWZAOFLBAMIJU-QGZVFWFLSA-N 1 0 382.483 3.749 20 30 GHEDRO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000624989891 860638008 /nfs/dbraw/zinc/63/80/08/860638008.db2.gz BTTDRCUXZAZZDX-UHFFFAOYSA-N 1 0 399.587 3.829 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000156050239 860665261 /nfs/dbraw/zinc/66/52/61/860665261.db2.gz WIMPYBJFOMAGGY-UHFFFAOYSA-N 1 0 393.487 3.501 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790694 860701391 /nfs/dbraw/zinc/70/13/91/860701391.db2.gz DSZSAQBXUYYPPL-LJQANCHMSA-N 1 0 378.394 3.909 20 30 GHEDRO CN(C)c1c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)ccc(F)c1F ZINC000598977912 860711582 /nfs/dbraw/zinc/71/15/82/860711582.db2.gz PUEZHQVJJVAQKC-UHFFFAOYSA-N 1 0 386.446 3.777 20 30 GHEDRO CC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125750806 860765177 /nfs/dbraw/zinc/76/51/77/860765177.db2.gz QIHCUOUQIGDVSM-HTAPYJJXSA-N 1 0 395.478 3.680 20 30 GHEDRO C=C(C)COCCNC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000474794563 860782213 /nfs/dbraw/zinc/78/22/13/860782213.db2.gz FDSJYGFYHNDZPF-FQEVSTJZSA-N 1 0 399.560 3.739 20 30 GHEDRO CCN(CC)c1ncc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000593693082 860866117 /nfs/dbraw/zinc/86/61/17/860866117.db2.gz OIDJJLPPBABJKL-UHFFFAOYSA-N 1 0 383.565 3.615 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000593693186 860903567 /nfs/dbraw/zinc/90/35/67/860903567.db2.gz RSPHVCBNEBKCHL-UHFFFAOYSA-N 1 0 389.478 3.842 20 30 GHEDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701025 860923021 /nfs/dbraw/zinc/92/30/21/860923021.db2.gz AXFLKSAJLWSCHX-XMMPIXPASA-N 1 0 395.522 3.899 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593702254 860928551 /nfs/dbraw/zinc/92/85/51/860928551.db2.gz KODCHZWKMVXZJO-QGZVFWFLSA-N 1 0 394.494 3.669 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000120485685 881601316 /nfs/dbraw/zinc/60/13/16/881601316.db2.gz OPJOWSZHCWUKSK-MRXNPFEDSA-N 1 0 375.538 3.625 20 30 GHEDRO Cc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ncc1Br ZINC000600105281 860998342 /nfs/dbraw/zinc/99/83/42/860998342.db2.gz JKQDWAMLYBLEQG-UHFFFAOYSA-N 1 0 399.336 3.732 20 30 GHEDRO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000600106792 860999472 /nfs/dbraw/zinc/99/94/72/860999472.db2.gz HXUPRMMERCHDAR-GPXOXTDOSA-N 1 0 387.527 3.838 20 30 GHEDRO C[C@H](c1ccccc1Br)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599272172 861020742 /nfs/dbraw/zinc/02/07/42/861020742.db2.gz LMCPVMORXYCDPS-HUUCEWRRSA-N 1 0 381.314 3.513 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000599312795 861032509 /nfs/dbraw/zinc/03/25/09/861032509.db2.gz TWQWOMCUSGXTKU-GOEBONIOSA-N 1 0 399.318 3.518 20 30 GHEDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]C[C@H](O)CC2(C#N)CC2)cc1OC ZINC000599349672 861087066 /nfs/dbraw/zinc/08/70/66/861087066.db2.gz QCOUGAIZLYEZSC-NHCUHLMSSA-N 1 0 394.515 3.940 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000599350142 861089584 /nfs/dbraw/zinc/08/95/84/861089584.db2.gz UNIOCXFJFUFOQI-YWZLYKJASA-N 1 0 381.451 3.783 20 30 GHEDRO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000329170038 861100118 /nfs/dbraw/zinc/10/01/18/861100118.db2.gz JWLUBUUXQUHIIX-GHTZIAJQSA-N 1 0 383.536 3.739 20 30 GHEDRO CC(C)[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000329211983 861151584 /nfs/dbraw/zinc/15/15/84/861151584.db2.gz HNHXVISEVAGBDA-BLIXFSHQSA-N 1 0 387.524 3.628 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000329220547 861162290 /nfs/dbraw/zinc/16/22/90/861162290.db2.gz TYODOPJJNYRAKL-SJORKVTESA-N 1 0 390.503 3.914 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000599411661 861181197 /nfs/dbraw/zinc/18/11/97/861181197.db2.gz BPIMODMKIGTDAU-HKUYNNGSSA-N 1 0 396.453 3.956 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2cnnc3ccccc23)c1C ZINC000733748000 863142291 /nfs/dbraw/zinc/14/22/91/863142291.db2.gz AYXFTMOHVSFHCO-LJQANCHMSA-N 1 0 376.508 3.978 20 30 GHEDRO C[C@@H](C[N+](C)(C)C)Oc1c(Br)cc(C#N)cc1Br ZINC001227346354 863191082 /nfs/dbraw/zinc/19/10/82/863191082.db2.gz RSKXBSPLAYWMDR-VIFPVBQESA-N 1 0 377.100 3.557 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(OC)c(NC(C)=O)c2)ccc1OC ZINC000159974797 863226050 /nfs/dbraw/zinc/22/60/50/863226050.db2.gz ZRXZAOZBMGFFMN-UHFFFAOYSA-N 1 0 384.476 3.907 20 30 GHEDRO CCCc1c(NC(=O)NCC[N@@H+](CC)CCC)cnn1-c1cccc(C#N)c1 ZINC000439685049 863413121 /nfs/dbraw/zinc/41/31/21/863413121.db2.gz NJGGRBLXOCNQOV-UHFFFAOYSA-N 1 0 382.512 3.550 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000522811498 863418416 /nfs/dbraw/zinc/41/84/16/863418416.db2.gz WYMZNHBFJOSBNG-GOSISDBHSA-N 1 0 377.488 3.597 20 30 GHEDRO N#CC1CCC(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000281917318 863484859 /nfs/dbraw/zinc/48/48/59/863484859.db2.gz RRLFEAUOGUOISB-BXDLLTFFSA-N 1 0 380.536 3.811 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000593961866 863514186 /nfs/dbraw/zinc/51/41/86/863514186.db2.gz NKIQNXHGZARJNT-NRFANRHFSA-N 1 0 397.906 3.763 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000593985234 863631920 /nfs/dbraw/zinc/63/19/20/863631920.db2.gz VPXJWKDEBLHOTB-WOJBJXKFSA-N 1 0 375.516 3.860 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](c2ccccc2OC)C1)C(C)C ZINC000606641452 863742266 /nfs/dbraw/zinc/74/22/66/863742266.db2.gz ANLLGEGMLISOCZ-TZIWHRDSSA-N 1 0 385.552 3.893 20 30 GHEDRO [NH2+]=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)N1CCCCCC1 ZINC000262416023 863798009 /nfs/dbraw/zinc/79/80/09/863798009.db2.gz ZBBZTLGQBSTUMB-UHFFFAOYSA-N 1 0 381.402 3.532 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262423645 864065939 /nfs/dbraw/zinc/06/59/39/864065939.db2.gz RHFKPHVTTADPRX-IPMKNSEASA-N 1 0 382.508 3.519 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000554321830 864104456 /nfs/dbraw/zinc/10/44/56/864104456.db2.gz VUZWVWAJCKPMHT-LJQANCHMSA-N 1 0 379.508 3.726 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734300725 864135288 /nfs/dbraw/zinc/13/52/88/864135288.db2.gz TYIBZRSSTNKOSF-WIYYLYMNSA-N 1 0 378.472 3.781 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccncc1 ZINC000734652345 864369849 /nfs/dbraw/zinc/36/98/49/864369849.db2.gz LLXXLSBMKXHJBA-FGZHOGPDSA-N 1 0 394.519 3.844 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccncc1 ZINC000734652343 864370439 /nfs/dbraw/zinc/37/04/39/864370439.db2.gz LLXXLSBMKXHJBA-FCHUYYIVSA-N 1 0 394.519 3.844 20 30 GHEDRO C=CC[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000734663220 864388994 /nfs/dbraw/zinc/38/89/94/864388994.db2.gz ICKHNUZJEXGZRF-JOCHJYFZSA-N 1 0 378.520 3.910 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000898799156 864643563 /nfs/dbraw/zinc/64/35/63/864643563.db2.gz CCOTUBNWPGISAL-LJQANCHMSA-N 1 0 376.504 3.701 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(OCC#N)cc1 ZINC000184557380 864688046 /nfs/dbraw/zinc/68/80/46/864688046.db2.gz PDPUAWSLXJXXBU-JOCHJYFZSA-N 1 0 394.519 3.545 20 30 GHEDRO CN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475315985 864776169 /nfs/dbraw/zinc/77/61/69/864776169.db2.gz ZCTSUNOBFKPYOG-JOCHJYFZSA-N 1 0 391.515 3.840 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000735491137 864812158 /nfs/dbraw/zinc/81/21/58/864812158.db2.gz AGOWZLBSTZOVJF-OQLXKQOESA-N 1 0 396.579 3.967 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1C ZINC000735491162 864812597 /nfs/dbraw/zinc/81/25/97/864812597.db2.gz AVFHAPCWIKZFJA-XPNTWCBSSA-N 1 0 396.579 3.887 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NCC(C)(C)CCC#N)CC2)c1 ZINC000480544863 864847730 /nfs/dbraw/zinc/84/77/30/864847730.db2.gz IFJUJLIOEPKSIG-UHFFFAOYSA-N 1 0 399.583 3.526 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081516361 864873388 /nfs/dbraw/zinc/87/33/88/864873388.db2.gz XUJHXPJFRWMUEY-SFTDATJTSA-N 1 0 384.568 3.602 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000173580521 864890264 /nfs/dbraw/zinc/89/02/64/864890264.db2.gz LCNCJWOLXIMTTM-ZHACJKMWSA-N 1 0 396.560 3.916 20 30 GHEDRO [NH2+]=C(NCc1ccc(Cn2ccccc2=O)cc1)Nc1cccc2c1CCCC2 ZINC000262482145 864941131 /nfs/dbraw/zinc/94/11/31/864941131.db2.gz RTAXLFTUKSZDER-UHFFFAOYSA-N 1 0 386.499 3.702 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000897252302 864965872 /nfs/dbraw/zinc/96/58/72/864965872.db2.gz VELFJUUSBHYVOC-UHGJSFDGSA-N 1 0 392.503 3.668 20 30 GHEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262485688 864966214 /nfs/dbraw/zinc/96/62/14/864966214.db2.gz SMFOODXEXQUEHH-KRWDZBQOSA-N 1 0 379.533 3.524 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000171737203 865349685 /nfs/dbraw/zinc/34/96/85/865349685.db2.gz CFVRDSRHSCLMIP-SFHVURJKSA-N 1 0 398.334 3.727 20 30 GHEDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000128480901 865435166 /nfs/dbraw/zinc/43/51/66/865435166.db2.gz FPFWAHGCXJQFLA-XZOQPEGZSA-N 1 0 388.515 3.640 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCc3c(F)cccc3F)CC2)cc1 ZINC000594218930 865443672 /nfs/dbraw/zinc/44/36/72/865443672.db2.gz HDYJKYAMFNBWCF-UHFFFAOYSA-N 1 0 397.469 3.894 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000555132324 865552436 /nfs/dbraw/zinc/55/24/36/865552436.db2.gz JYVITYJXIZCRAI-PZJWPPBQSA-N 1 0 379.495 3.503 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccco1 ZINC000594248181 865600245 /nfs/dbraw/zinc/60/02/45/865600245.db2.gz OQYKCRHMYLTGEQ-LPHOPBHVSA-N 1 0 380.492 3.959 20 30 GHEDRO C[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000608791333 865727613 /nfs/dbraw/zinc/72/76/13/865727613.db2.gz XMXOFZCCWZOKTB-NRFANRHFSA-N 1 0 380.467 3.503 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000555249289 865762650 /nfs/dbraw/zinc/76/26/50/865762650.db2.gz JWSWLPYIVHXSHU-UHFFFAOYSA-N 1 0 397.542 3.896 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000555253402 865768881 /nfs/dbraw/zinc/76/88/81/865768881.db2.gz CIQBUYBYGHRXQZ-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000174579409 865928787 /nfs/dbraw/zinc/92/87/87/865928787.db2.gz IQNQDQXLBNUESQ-IBGZPJMESA-N 1 0 391.475 3.562 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481182332 865942879 /nfs/dbraw/zinc/94/28/79/865942879.db2.gz BETRWYNMQXCKTK-IERDGZPVSA-N 1 0 396.922 3.650 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481182333 865943354 /nfs/dbraw/zinc/94/33/54/865943354.db2.gz BETRWYNMQXCKTK-IIBYNOLFSA-N 1 0 396.922 3.650 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000740736840 865976404 /nfs/dbraw/zinc/97/64/04/865976404.db2.gz OPXDCZRXPLSTOY-UHFFFAOYSA-N 1 0 399.585 3.546 20 30 GHEDRO N#CC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CCC1 ZINC000600017043 866043923 /nfs/dbraw/zinc/04/39/23/866043923.db2.gz FCBMUGCUVMYRAF-RTBURBONSA-N 1 0 379.529 3.774 20 30 GHEDRO N#Cc1nnc2ccccc2c1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000740868823 866056593 /nfs/dbraw/zinc/05/65/93/866056593.db2.gz QSISTWPHLWZVFR-INIZCTEOSA-N 1 0 393.878 3.937 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508489962 866150384 /nfs/dbraw/zinc/15/03/84/866150384.db2.gz PFUWQBDUQJIFRX-LJQANCHMSA-N 1 0 383.515 3.506 20 30 GHEDRO [NH2+]=C(NCCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc2c(c1)CCC2 ZINC000262520031 866214141 /nfs/dbraw/zinc/21/41/41/866214141.db2.gz IBVZMEQNDLUNCM-UHFFFAOYSA-N 1 0 381.867 3.848 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC[N@@H+]2C)cc1 ZINC000741121604 866244927 /nfs/dbraw/zinc/24/49/27/866244927.db2.gz XCRFFTYGLUANJM-GTCCEBARSA-N 1 0 394.471 3.570 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183151443 866255835 /nfs/dbraw/zinc/25/58/35/866255835.db2.gz TYNNPISQSYOJRO-MRXNPFEDSA-N 1 0 376.460 3.791 20 30 GHEDRO Cc1ccc(-c2nc(CCNC(=[NH2+])N[C@H]3CCOc4ccccc43)co2)cc1 ZINC000262523556 866272290 /nfs/dbraw/zinc/27/22/90/866272290.db2.gz OEEITHKSRFMJQM-IBGZPJMESA-N 1 0 376.460 3.621 20 30 GHEDRO N#CCCn1ncc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1-c1ccccc1 ZINC000428505215 881974861 /nfs/dbraw/zinc/97/48/61/881974861.db2.gz ZAQHIYQRGAPIEZ-UHFFFAOYSA-N 1 0 391.519 3.554 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC000857069831 881982022 /nfs/dbraw/zinc/98/20/22/881982022.db2.gz VFZLVANYPRLDAA-CDMIOBSGSA-N 1 0 385.508 3.857 20 30 GHEDRO Cc1cccc(-n2c(N=NC3CC[N@H+](C)[C@H](C)C3)nc3ccccc3c2=O)c1C ZINC000741462435 866529902 /nfs/dbraw/zinc/52/99/02/866529902.db2.gz OXJGNHVIJFIIAS-MRXNPFEDSA-N 1 0 389.503 3.885 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c2)CC1 ZINC000534326090 866567876 /nfs/dbraw/zinc/56/78/76/866567876.db2.gz LVKRSVLBKYKTGQ-UHFFFAOYSA-N 1 0 388.515 3.759 20 30 GHEDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000054295093 866612569 /nfs/dbraw/zinc/61/25/69/866612569.db2.gz ZLVVXPPUQJQRQA-UHFFFAOYSA-N 1 0 375.472 3.790 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000553096550 866789247 /nfs/dbraw/zinc/78/92/47/866789247.db2.gz TVLMVNACEDIMBN-HXUWFJFHSA-N 1 0 382.504 3.589 20 30 GHEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000534526317 866991762 /nfs/dbraw/zinc/99/17/62/866991762.db2.gz TZUOKGJTAVYJBT-UHFFFAOYSA-N 1 0 392.846 3.663 20 30 GHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444684945 867061245 /nfs/dbraw/zinc/06/12/45/867061245.db2.gz MOPJVVHFWMBESN-UHFFFAOYSA-N 1 0 384.484 3.703 20 30 GHEDRO C=C(C)CNC(=S)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793260918 882056295 /nfs/dbraw/zinc/05/62/95/882056295.db2.gz UTARGCDNWOXRPZ-JOCHJYFZSA-N 1 0 394.588 3.999 20 30 GHEDRO N#Cc1ccc2nc(N3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)ccc2c1 ZINC000553336465 867204662 /nfs/dbraw/zinc/20/46/62/867204662.db2.gz TXLAFUOLPKMYJX-HSZRJFAPSA-N 1 0 397.526 3.503 20 30 GHEDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000444787275 867251671 /nfs/dbraw/zinc/25/16/71/867251671.db2.gz WRZQFZYANIGFBI-NRFANRHFSA-N 1 0 389.565 3.844 20 30 GHEDRO N#CCc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000534696557 867273150 /nfs/dbraw/zinc/27/31/50/867273150.db2.gz PAJIMAPQHAZREH-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C12CCCCC2 ZINC000429787483 867334940 /nfs/dbraw/zinc/33/49/40/867334940.db2.gz NQLANNVCWNKZBC-MSOLQXFVSA-N 1 0 375.900 3.868 20 30 GHEDRO CC(C)(Oc1ccc(F)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479211074 867362142 /nfs/dbraw/zinc/36/21/42/867362142.db2.gz FIWHXNMGZSZGLD-UHFFFAOYSA-N 1 0 395.478 3.658 20 30 GHEDRO C[C@H](Sc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479280898 867474835 /nfs/dbraw/zinc/47/48/35/867474835.db2.gz JNNMXNMWWPPQHF-SFHVURJKSA-N 1 0 379.529 3.842 20 30 GHEDRO CCCOc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479282809 867479963 /nfs/dbraw/zinc/47/99/63/867479963.db2.gz QRXBGNPATKMMQC-UHFFFAOYSA-N 1 0 377.488 3.764 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508839632 867498579 /nfs/dbraw/zinc/49/85/79/867498579.db2.gz GQHORHKTSQOADU-FQEVSTJZSA-N 1 0 397.567 3.828 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000440622443 867564579 /nfs/dbraw/zinc/56/45/79/867564579.db2.gz HVIKDJUCNHQAMV-IRLDBZIGSA-N 1 0 375.476 3.625 20 30 GHEDRO C[C@H]1C[C@H](CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000553511137 867565693 /nfs/dbraw/zinc/56/56/93/867565693.db2.gz QUFVILRAYLFZMS-RDJZCZTQSA-N 1 0 379.464 3.761 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000479376908 867652565 /nfs/dbraw/zinc/65/25/65/867652565.db2.gz FTEKBWFCCFATNE-NRFANRHFSA-N 1 0 391.556 3.616 20 30 GHEDRO COc1cc2c(cc1F)[nH+]ccc2N1CCCN(c2ccccc2C#N)CC1 ZINC000479362975 867670821 /nfs/dbraw/zinc/67/08/21/867670821.db2.gz FROPRZCVKJDBCN-UHFFFAOYSA-N 1 0 376.435 3.971 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000479400062 867709362 /nfs/dbraw/zinc/70/93/62/867709362.db2.gz ZYVINQKWZLPDOZ-LJQANCHMSA-N 1 0 389.569 3.916 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cnn(-c2ccccc2)c1)[n+]1ccc(C)cc1 ZINC000743052864 867787949 /nfs/dbraw/zinc/78/79/49/867787949.db2.gz PXDRQVSCCSZWDY-UHFFFAOYSA-O 1 0 391.520 3.845 20 30 GHEDRO C[C@H](NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000743059709 867806493 /nfs/dbraw/zinc/80/64/93/867806493.db2.gz OMJYBATXIYAKRA-KRWDZBQOSA-N 1 0 378.545 3.748 20 30 GHEDRO CC(=O)NC1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000553639608 867812248 /nfs/dbraw/zinc/81/22/48/867812248.db2.gz LYWUJJZJCZNZGC-UHFFFAOYSA-N 1 0 377.488 3.674 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406034 867828359 /nfs/dbraw/zinc/82/83/59/867828359.db2.gz AIRFBQYJEMFHBG-QGZVFWFLSA-N 1 0 396.922 3.747 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000743196179 867945683 /nfs/dbraw/zinc/94/56/83/867945683.db2.gz FVNSYRHXHIMZFA-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000155717249 868051379 /nfs/dbraw/zinc/05/13/79/868051379.db2.gz AIUKMDHQMAUROD-KRWDZBQOSA-N 1 0 377.916 3.543 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(CN3CCOCC3)cc2)c(O)c1 ZINC000743341012 868071784 /nfs/dbraw/zinc/07/17/84/868071784.db2.gz PJHBMQJNXQIQBH-ULJHMMPZSA-N 1 0 381.520 3.690 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000248799309 868169791 /nfs/dbraw/zinc/16/97/91/868169791.db2.gz ZROZNHUIZRWDNN-XAUMDUMWSA-N 1 0 381.476 3.853 20 30 GHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000544401060 868287557 /nfs/dbraw/zinc/28/75/57/868287557.db2.gz WQALFLAZCFNWIV-OALUTQOASA-N 1 0 392.341 3.591 20 30 GHEDRO C=CCc1cc(C(=O)Nc2cc(C[NH+](C)C)ccc2OC)cc(OC)c1OC ZINC000642214254 868292674 /nfs/dbraw/zinc/29/26/74/868292674.db2.gz PHVBPIMSXXZXBW-UHFFFAOYSA-N 1 0 384.476 3.755 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000743614019 868304977 /nfs/dbraw/zinc/30/49/77/868304977.db2.gz SCLRMBLHVIVXII-FQEVSTJZSA-N 1 0 391.515 3.505 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](CO)c1ccccc1 ZINC000479684576 868332829 /nfs/dbraw/zinc/33/28/29/868332829.db2.gz BDUZSQFGQWNTGG-LJQANCHMSA-N 1 0 397.544 3.883 20 30 GHEDRO COc1ccccc1CC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000524002640 868367219 /nfs/dbraw/zinc/36/72/19/868367219.db2.gz RPJNVPJLZIUVAM-GOSISDBHSA-N 1 0 383.536 3.681 20 30 GHEDRO C[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000553863460 868368235 /nfs/dbraw/zinc/36/82/35/868368235.db2.gz RQMQCCIUQJHMSE-QGZVFWFLSA-N 1 0 390.487 3.692 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NCc3cnc4ccc(C#N)cn34)cc2)C1 ZINC000744446820 868849541 /nfs/dbraw/zinc/84/95/41/868849541.db2.gz DCUQVZOEBWQAJQ-KRWDZBQOSA-N 1 0 375.476 3.539 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508847558 868918697 /nfs/dbraw/zinc/91/86/97/868918697.db2.gz VOZMIPCYVPOHLW-UHFFFAOYSA-N 1 0 395.551 3.521 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCc1ccccn1 ZINC000152745323 868938830 /nfs/dbraw/zinc/93/88/30/868938830.db2.gz XHWGAWZOXMXGSL-UHFFFAOYSA-N 1 0 382.533 3.787 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nc1 ZINC000092004579 882250853 /nfs/dbraw/zinc/25/08/53/882250853.db2.gz GSYXOUQJTKEMFN-PKOBYXMFSA-N 1 0 378.476 3.532 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3C)c2CCC)CC1 ZINC000760145251 882263594 /nfs/dbraw/zinc/26/35/94/882263594.db2.gz KUHJIMITDQDOQG-UHFFFAOYSA-N 1 0 381.524 3.905 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000539495495 869218732 /nfs/dbraw/zinc/21/87/32/869218732.db2.gz UIUFGQJHSZRQCN-RHSMWYFYSA-N 1 0 378.394 3.959 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000445986089 869238437 /nfs/dbraw/zinc/23/84/37/869238437.db2.gz QVNFSXYMCJSPQD-ZHALLVOQSA-N 1 0 379.426 3.740 20 30 GHEDRO CC[NH+](CC)[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000462380663 869327990 /nfs/dbraw/zinc/32/79/90/869327990.db2.gz XIKYPTZEVOSJIE-GOSISDBHSA-N 1 0 379.420 3.525 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000539613601 869446878 /nfs/dbraw/zinc/44/68/78/869446878.db2.gz FBDDTMRXPROGIW-JXFKEZNVSA-N 1 0 375.538 3.646 20 30 GHEDRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(C#N)c(F)c1 ZINC000539634458 869478638 /nfs/dbraw/zinc/47/86/38/869478638.db2.gz GNHZJPJLCGYJOV-OAHLLOKOSA-N 1 0 380.467 3.568 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)nc1 ZINC000428792888 869538002 /nfs/dbraw/zinc/53/80/02/869538002.db2.gz JARZCBKMTOZQOU-QGZVFWFLSA-N 1 0 377.366 3.548 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+]C2(C3CC3)CC2)c1C#N ZINC000544411137 869617513 /nfs/dbraw/zinc/61/75/13/869617513.db2.gz RDHZTLLAJZFHOQ-UHFFFAOYSA-N 1 0 380.467 3.635 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000462555140 869670297 /nfs/dbraw/zinc/67/02/97/869670297.db2.gz SAZBQFKZVYGDQT-GOSISDBHSA-N 1 0 376.504 3.831 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000524934119 869777089 /nfs/dbraw/zinc/77/70/89/869777089.db2.gz KXCKUPPVUJBAFC-RBUKOAKNSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000446574797 870025649 /nfs/dbraw/zinc/02/56/49/870025649.db2.gz GJXPGPXHGJRWQI-UHFFFAOYSA-N 1 0 381.480 3.742 20 30 GHEDRO CC[N@H+](CCc1cccs1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000746167184 870100276 /nfs/dbraw/zinc/10/02/76/870100276.db2.gz BFMITUPSWRWIAH-KRWDZBQOSA-N 1 0 376.485 3.850 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508862876 870215138 /nfs/dbraw/zinc/21/51/38/870215138.db2.gz HQNLRKJUISFSGA-KRWDZBQOSA-N 1 0 389.931 3.570 20 30 GHEDRO C[NH+](C)C1(CNc2c(C#N)cnc3c(F)cc(F)cc32)Cc2ccccc2C1 ZINC000462895075 870316767 /nfs/dbraw/zinc/31/67/67/870316767.db2.gz PVKYNQYVLLCRFN-UHFFFAOYSA-N 1 0 378.426 3.896 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCOc4c(F)ccc(F)c43)CC2)cc1 ZINC000462945125 870477158 /nfs/dbraw/zinc/47/71/58/870477158.db2.gz LYTPZQUHJFFWNL-HXUWFJFHSA-N 1 0 383.442 3.914 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1cc(Cl)ccc1OC(F)F ZINC001192627381 870575128 /nfs/dbraw/zinc/57/51/28/870575128.db2.gz VQLOXOHLDFZLIO-DOMZBBRYSA-N 1 0 396.821 3.904 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000525407596 870640546 /nfs/dbraw/zinc/64/05/46/870640546.db2.gz AOQMGXROTOVJSL-SFHVURJKSA-N 1 0 382.435 3.680 20 30 GHEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000248900207 870685316 /nfs/dbraw/zinc/68/53/16/870685316.db2.gz HDSVEOOTACCJMZ-CJNGLKHVSA-N 1 0 392.297 3.963 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000538802264 870694112 /nfs/dbraw/zinc/69/41/12/870694112.db2.gz OQHRLYUHSPXXGG-UHFFFAOYSA-N 1 0 387.487 3.641 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1OC ZINC000060355140 882434315 /nfs/dbraw/zinc/43/43/15/882434315.db2.gz HLFSIRILVUSZKM-SFHVURJKSA-N 1 0 384.476 3.728 20 30 GHEDRO COC(=O)C1(C)CCC([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)CC1 ZINC001168790078 870741859 /nfs/dbraw/zinc/74/18/59/870741859.db2.gz YORQWCDNIACJPB-UHFFFAOYSA-N 1 0 386.492 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000746449647 870748319 /nfs/dbraw/zinc/74/83/19/870748319.db2.gz KLDZNGMOWIXFOQ-NRFANRHFSA-N 1 0 398.551 3.516 20 30 GHEDRO CC(C)[C@H](CNC(=O)Nc1cccc(CC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000455918595 870842677 /nfs/dbraw/zinc/84/26/77/870842677.db2.gz LJAFULYCJATWOS-QFIPXVFZSA-N 1 0 376.504 3.957 20 30 GHEDRO CN(c1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1)C1CC[NH+](C)CC1 ZINC000102995899 870899840 /nfs/dbraw/zinc/89/98/40/870899840.db2.gz OJISAEMZSCDHLK-UHFFFAOYSA-N 1 0 394.544 3.819 20 30 GHEDRO C[C@H](CCO)[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000538954088 870968472 /nfs/dbraw/zinc/96/84/72/870968472.db2.gz OEGDCYGJOSZTNM-GOSISDBHSA-N 1 0 399.922 3.860 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H](CC)Cc1ccc3c(c1)OCO3)C2 ZINC001170438972 882467806 /nfs/dbraw/zinc/46/78/06/882467806.db2.gz WVMPTAZEHIGJMY-XXBNENTESA-N 1 0 384.520 3.770 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000540328684 871033877 /nfs/dbraw/zinc/03/38/77/871033877.db2.gz QVWWXODLRMQFDE-GOSISDBHSA-N 1 0 377.488 3.822 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000181453275 871037306 /nfs/dbraw/zinc/03/73/06/871037306.db2.gz SXSKXPWNXNZZST-UHFFFAOYSA-N 1 0 385.515 3.541 20 30 GHEDRO Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)c(C)n2n1 ZINC000538987804 871056600 /nfs/dbraw/zinc/05/66/00/871056600.db2.gz LYNRIVXTMVYVIL-QAPCUYQASA-N 1 0 392.482 3.677 20 30 GHEDRO Cc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)c1 ZINC000181490512 871091858 /nfs/dbraw/zinc/09/18/58/871091858.db2.gz PVMNMLHHFPKFLN-CVDCTZTESA-N 1 0 379.504 3.622 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1Br ZINC000181521234 871125769 /nfs/dbraw/zinc/12/57/69/871125769.db2.gz LNGKFFAWTUEZJG-OAHLLOKOSA-N 1 0 389.293 3.585 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)cc1 ZINC000181538858 871162562 /nfs/dbraw/zinc/16/25/62/871162562.db2.gz OWVLKEKOZMKVQS-WMZHIEFXSA-N 1 0 379.504 3.622 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000540395306 871165185 /nfs/dbraw/zinc/16/51/85/871165185.db2.gz QENIRCYRZOBEPR-URXFXBBRSA-N 1 0 391.515 3.918 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000540395307 871165476 /nfs/dbraw/zinc/16/54/76/871165476.db2.gz QENIRCYRZOBEPR-XUZZJYLKSA-N 1 0 391.515 3.918 20 30 GHEDRO CC[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC001169091605 871200235 /nfs/dbraw/zinc/20/02/35/871200235.db2.gz PQIBFUWTTIFZAL-FQEVSTJZSA-N 1 0 396.922 3.747 20 30 GHEDRO COc1ccccc1C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC001169124209 871214784 /nfs/dbraw/zinc/21/47/84/871214784.db2.gz NGRVVMNHENAGFT-FGZHOGPDSA-N 1 0 391.515 3.919 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000540459787 871316132 /nfs/dbraw/zinc/31/61/32/871316132.db2.gz QAFMTGNMDCKMFU-FYYLOGMGSA-N 1 0 379.504 3.589 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000091792628 871336424 /nfs/dbraw/zinc/33/64/24/871336424.db2.gz YJOXVZICROSDSI-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)c2)cc1 ZINC000463301944 871372664 /nfs/dbraw/zinc/37/26/64/871372664.db2.gz QEDLWCMUAPCQPE-WMZOPIPTSA-N 1 0 399.516 3.668 20 30 GHEDRO CCCCCCCOC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001194003155 871425995 /nfs/dbraw/zinc/42/59/95/871425995.db2.gz MCOIWSJFKSLANF-AABGKKOBSA-N 1 0 391.560 3.558 20 30 GHEDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441252667 871484763 /nfs/dbraw/zinc/48/47/63/871484763.db2.gz GKSSWBDNHMKMDQ-DLBZAZTESA-N 1 0 399.922 3.854 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460237494 871514590 /nfs/dbraw/zinc/51/45/90/871514590.db2.gz NIPABWCNRUFHBM-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000103267993 871568381 /nfs/dbraw/zinc/56/83/81/871568381.db2.gz NLELKQDYMCHUCY-QGZVFWFLSA-N 1 0 394.471 3.544 20 30 GHEDRO C[C@H](NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000080711480 871617019 /nfs/dbraw/zinc/61/70/19/871617019.db2.gz RGKWOJQHUJWAGR-PGRDOPGGSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)Cc2ccccc2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000776984503 882529917 /nfs/dbraw/zinc/52/99/17/882529917.db2.gz TVIDIDSOCDRSLY-PZJWPPBQSA-N 1 0 375.516 3.712 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC001194561262 871792268 /nfs/dbraw/zinc/79/22/68/871792268.db2.gz AJMKYDDHLXKYCW-UHFFFAOYSA-N 1 0 389.543 3.938 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169709013 871793382 /nfs/dbraw/zinc/79/33/82/871793382.db2.gz PUHAZEJSPBNSKQ-UHFFFAOYSA-N 1 0 392.806 3.508 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NC(C)(C)CC[NH+](C)C ZINC001169716423 871806277 /nfs/dbraw/zinc/80/62/77/871806277.db2.gz RRUFVVZHCYLZMS-UHFFFAOYSA-N 1 0 377.605 3.744 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000447546186 871819970 /nfs/dbraw/zinc/81/99/70/871819970.db2.gz ZRKGIMGNQTUMBS-YADHBBJMSA-N 1 0 377.488 3.708 20 30 GHEDRO CCOc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000022688727 871910175 /nfs/dbraw/zinc/91/01/75/871910175.db2.gz WIPLDPLJOSPRSO-UHFFFAOYSA-O 1 0 395.548 3.942 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)cc1 ZINC000552040706 871918879 /nfs/dbraw/zinc/91/88/79/871918879.db2.gz PIEPZFIOISLFSM-GOSISDBHSA-N 1 0 394.906 3.576 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCCC2)cc1 ZINC000237497333 871942330 /nfs/dbraw/zinc/94/23/30/871942330.db2.gz CSCDAXJFJAZKBX-FDDCHVKYSA-N 1 0 379.504 3.913 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618807831 872015047 /nfs/dbraw/zinc/01/50/47/872015047.db2.gz XOXUADDRWMVMGA-AUUYWEPGSA-N 1 0 379.460 3.570 20 30 GHEDRO C[C@@]1(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000618828191 872033539 /nfs/dbraw/zinc/03/35/39/872033539.db2.gz AQYNLXWMFDPQRY-VWNXMTODSA-N 1 0 388.515 3.899 20 30 GHEDRO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)o1 ZINC000857826786 882571883 /nfs/dbraw/zinc/57/18/83/882571883.db2.gz BJQBPODBDRAKOO-KRWDZBQOSA-N 1 0 381.476 3.582 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618852214 872073931 /nfs/dbraw/zinc/07/39/31/872073931.db2.gz CYAZFTUVMKCXBA-NRFANRHFSA-N 1 0 398.457 3.597 20 30 GHEDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000552195845 872186383 /nfs/dbraw/zinc/18/63/83/872186383.db2.gz BPZCAODXQAEIQU-LJQANCHMSA-N 1 0 391.515 3.757 20 30 GHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cccc21 ZINC000619146972 872350968 /nfs/dbraw/zinc/35/09/68/872350968.db2.gz FQDCADNRSZCDKW-RTWAWAEBSA-N 1 0 390.487 3.551 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOC3(C1)CCCCCC3)CCC2 ZINC000478042153 872362137 /nfs/dbraw/zinc/36/21/37/872362137.db2.gz RUVAKJYJIWPYKE-UHFFFAOYSA-N 1 0 387.549 3.862 20 30 GHEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478024723 872366659 /nfs/dbraw/zinc/36/66/59/872366659.db2.gz LJCHMYKBGSAZFS-FCHUYYIVSA-N 1 0 382.529 3.990 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC001195462791 872406339 /nfs/dbraw/zinc/40/63/39/872406339.db2.gz CJZMCFITHDQJJM-RBUKOAKNSA-N 1 0 378.516 3.931 20 30 GHEDRO N#Cc1csc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000540931081 872522999 /nfs/dbraw/zinc/52/29/99/872522999.db2.gz RPQQTHXNUOMSCB-MRXNPFEDSA-N 1 0 383.521 3.851 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000463771324 872539679 /nfs/dbraw/zinc/53/96/79/872539679.db2.gz WLLQFHPRGMBFPA-IBGZPJMESA-N 1 0 394.515 3.997 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000619356338 872587939 /nfs/dbraw/zinc/58/79/39/872587939.db2.gz SMFGOHDNKJVFPI-UHFFFAOYSA-N 1 0 387.509 3.693 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)CC2)nc1 ZINC000619465646 872661621 /nfs/dbraw/zinc/66/16/21/872661621.db2.gz YCOBXMHGBCYLFF-QFIPXVFZSA-N 1 0 398.514 3.775 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)CCC1 ZINC000527127853 872676926 /nfs/dbraw/zinc/67/69/26/872676926.db2.gz JBGVCUHDQBZDED-INIZCTEOSA-N 1 0 394.288 3.581 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000619483073 872681168 /nfs/dbraw/zinc/68/11/68/872681168.db2.gz LWGTZOSTUBMDCP-WIYYLYMNSA-N 1 0 399.560 3.796 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1 ZINC000619511484 872695757 /nfs/dbraw/zinc/69/57/57/872695757.db2.gz NRTCXBUSFQRORT-OAQYLSRUSA-N 1 0 382.891 3.935 20 30 GHEDRO C[C@H](C#N)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541018744 872767039 /nfs/dbraw/zinc/76/70/39/872767039.db2.gz GVDSNIQZCPKLMF-KMFMINBZSA-N 1 0 382.430 3.547 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000619623729 872807774 /nfs/dbraw/zinc/80/77/74/872807774.db2.gz OERILUBQJZAJCS-JRJVTICQSA-N 1 0 389.927 3.802 20 30 GHEDRO C[C@@]1(Cc2ccccc2Cl)CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC001196023716 872822366 /nfs/dbraw/zinc/82/23/66/872822366.db2.gz WCNZXZKWKWZVGH-QFIPXVFZSA-N 1 0 381.907 3.925 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000206849879 872830184 /nfs/dbraw/zinc/83/01/84/872830184.db2.gz AFNOZXZXJALFOL-ZZLBYYGFSA-N 1 0 398.478 3.831 20 30 GHEDRO N#CC1CCC(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000619659545 872833732 /nfs/dbraw/zinc/83/37/32/872833732.db2.gz UTACYNVKSUDKQG-DXEGLPQDSA-N 1 0 394.563 3.916 20 30 GHEDRO N#CCSc1cccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000176002010 882657008 /nfs/dbraw/zinc/65/70/08/882657008.db2.gz QZILAVUFLQJNNX-UHFFFAOYSA-N 1 0 390.512 3.522 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)NC(C)(C)COCc1ccccc1)c1cccc(C#N)c1 ZINC000619649729 872844346 /nfs/dbraw/zinc/84/43/46/872844346.db2.gz JHMMYKLIIAEMQJ-GOSISDBHSA-N 1 0 394.519 3.503 20 30 GHEDRO N#CCSc1cccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176030932 882660264 /nfs/dbraw/zinc/66/02/64/882660264.db2.gz KLNUXWULHBWABE-UHFFFAOYSA-N 1 0 379.529 3.944 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000182867053 872902242 /nfs/dbraw/zinc/90/22/42/872902242.db2.gz OQTYBKCWKUQNJJ-JOCHJYFZSA-N 1 0 392.478 3.769 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCCC23CCOCC3)c1C#N ZINC000619723140 872920904 /nfs/dbraw/zinc/92/09/04/872920904.db2.gz GXYWREJRPZTSLR-HXUWFJFHSA-N 1 0 398.551 3.969 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000191922089 882667837 /nfs/dbraw/zinc/66/78/37/882667837.db2.gz USLVZFWVVFXNLQ-UHFFFAOYSA-N 1 0 393.531 3.855 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756625 872965244 /nfs/dbraw/zinc/96/52/44/872965244.db2.gz AJMHNAKUAJVVFK-BEFAXECRSA-N 1 0 382.895 3.846 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1Cl ZINC000619757870 872970553 /nfs/dbraw/zinc/97/05/53/872970553.db2.gz IWHNZCQPNQFTDY-LJQANCHMSA-N 1 0 382.895 3.675 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619760337 872973066 /nfs/dbraw/zinc/97/30/66/872973066.db2.gz FRIAKPHSEXLWRL-QRWLVFNGSA-N 1 0 382.895 3.531 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CN1Cc1ccccc1 ZINC000527349485 873027134 /nfs/dbraw/zinc/02/71/34/873027134.db2.gz CVCQJOJPCURFIW-KPFYNRIZSA-N 1 0 390.531 3.896 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cnn1-c1ccc(F)cc1 ZINC000182993444 873070157 /nfs/dbraw/zinc/07/01/57/873070157.db2.gz UCRLEMACWKXPSH-HUUCEWRRSA-N 1 0 391.450 3.869 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000191969027 882687506 /nfs/dbraw/zinc/68/75/06/882687506.db2.gz XSCKQIBNRSQYGK-SFHVURJKSA-N 1 0 385.552 3.714 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC001196479254 873125545 /nfs/dbraw/zinc/12/55/45/873125545.db2.gz LNYVCBWUHDYXLF-NHCUHLMSSA-N 1 0 388.895 3.947 20 30 GHEDRO CCOc1ccc(CN2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000768220910 873172442 /nfs/dbraw/zinc/17/24/42/873172442.db2.gz UMCLRPLDQHDZAB-UHFFFAOYSA-N 1 0 392.547 3.753 20 30 GHEDRO CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541255270 873248314 /nfs/dbraw/zinc/24/83/14/873248314.db2.gz JNKIAVHFEUHQTH-OXQOHEQNSA-N 1 0 379.529 3.996 20 30 GHEDRO CC(C)n1ncc2cc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cnc21 ZINC000109351754 882702682 /nfs/dbraw/zinc/70/26/82/882702682.db2.gz MZTCSFLWQGYXSZ-LJQANCHMSA-N 1 0 392.482 3.782 20 30 GHEDRO COc1ccc(NC(=S)NN=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000768364808 873258749 /nfs/dbraw/zinc/25/87/49/873258749.db2.gz OECHVTYSMUIJOQ-KDURUIRLSA-N 1 0 395.532 3.560 20 30 GHEDRO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)c1 ZINC000443509519 873275741 /nfs/dbraw/zinc/27/57/41/873275741.db2.gz JEKNHCLOWAECNG-CQSZACIVSA-N 1 0 390.409 3.864 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001196798206 873366631 /nfs/dbraw/zinc/36/66/31/873366631.db2.gz HVMXGQXSBGZNTL-HSZRJFAPSA-N 1 0 380.532 3.710 20 30 GHEDRO N#Cc1nc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1C(F)(F)F ZINC000443524187 873437134 /nfs/dbraw/zinc/43/71/34/873437134.db2.gz STXKYUXRQQDWOE-ZDUSSCGKSA-N 1 0 380.439 3.780 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000527725812 873500278 /nfs/dbraw/zinc/50/02/78/873500278.db2.gz ALUSOYAWBYCVCO-QHCPKHFHSA-N 1 0 383.536 3.596 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000768691180 873531181 /nfs/dbraw/zinc/53/11/81/873531181.db2.gz QSDFINJCKRFTEN-PKOBYXMFSA-N 1 0 390.524 3.756 20 30 GHEDRO N#Cc1ccc(SCC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000609129602 873599321 /nfs/dbraw/zinc/59/93/21/873599321.db2.gz ULIAJGHLQPWARR-OAQYLSRUSA-N 1 0 379.529 3.994 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)s1 ZINC000586522669 882757609 /nfs/dbraw/zinc/75/76/09/882757609.db2.gz ZWOFEWJWNNLAQN-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1CC#N)c1cccc(C(F)(F)F)c1 ZINC000769025222 873749474 /nfs/dbraw/zinc/74/94/74/873749474.db2.gz IXAAQHKSPPHWJT-LJQANCHMSA-N 1 0 389.421 3.733 20 30 GHEDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177087311 882757295 /nfs/dbraw/zinc/75/72/95/882757295.db2.gz MIKWVOVBYBNNMV-MRXNPFEDSA-N 1 0 380.454 3.930 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000448723880 873819339 /nfs/dbraw/zinc/81/93/39/873819339.db2.gz CNXBTSHYUCLJFU-UHFFFAOYSA-N 1 0 378.516 3.883 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000448719904 873850964 /nfs/dbraw/zinc/85/09/64/873850964.db2.gz NKGBGPLYYRUFOU-HXUWFJFHSA-N 1 0 390.512 3.786 20 30 GHEDRO Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000541550973 873852128 /nfs/dbraw/zinc/85/21/28/873852128.db2.gz XCOCFHFJPGUERV-IBGZPJMESA-N 1 0 386.446 3.520 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(N3CCCCC3)c(C#N)c2)nn1-c1cc[nH+]cc1 ZINC001197535381 873863375 /nfs/dbraw/zinc/86/33/75/873863375.db2.gz UAAPVCVRPDVOGE-UHFFFAOYSA-N 1 0 386.459 3.690 20 30 GHEDRO CCOC(=O)N1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000769201497 873884488 /nfs/dbraw/zinc/88/44/88/873884488.db2.gz VLRGPAPRNYEUOQ-UHFFFAOYSA-N 1 0 393.487 3.801 20 30 GHEDRO Cc1cc(C(=O)Nc2ccccc2-c2ccc(C#N)cn2)nn1-c1cc[nH+]cc1 ZINC001197542717 873886450 /nfs/dbraw/zinc/88/64/50/873886450.db2.gz DXHWQILYLJMNIT-UHFFFAOYSA-N 1 0 380.411 3.762 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000769233271 873909126 /nfs/dbraw/zinc/90/91/26/873909126.db2.gz QIVVHLLRDCMJMY-FQEVSTJZSA-N 1 0 386.540 3.868 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C1 ZINC001197701868 873989128 /nfs/dbraw/zinc/98/91/28/873989128.db2.gz PCMOUXNJPZNMOD-MRXNPFEDSA-N 1 0 395.890 3.876 20 30 GHEDRO Cc1ccsc1[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000494667847 882781063 /nfs/dbraw/zinc/78/10/63/882781063.db2.gz PFOPUXVPKFOMRQ-HNNXBMFYSA-N 1 0 389.546 3.520 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192125314 882784055 /nfs/dbraw/zinc/78/40/55/882784055.db2.gz RNIUVALJCWTRLA-PIPMEXSNSA-N 1 0 389.442 3.553 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000769421493 874037870 /nfs/dbraw/zinc/03/78/70/874037870.db2.gz YNNOJIJMZRLYCR-QAPCUYQASA-N 1 0 392.421 3.937 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769836861 874318297 /nfs/dbraw/zinc/31/82/97/874318297.db2.gz HFWOZQOZBWHQGN-MRXNPFEDSA-N 1 0 398.469 3.802 20 30 GHEDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001198288814 874327499 /nfs/dbraw/zinc/32/74/99/874327499.db2.gz GYZVAEFQLITYAG-LJQANCHMSA-N 1 0 399.498 3.951 20 30 GHEDRO CN(C)c1ccc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000775881447 874515754 /nfs/dbraw/zinc/51/57/54/874515754.db2.gz FJUGFXJDGMWXHS-HSZRJFAPSA-N 1 0 388.515 3.609 20 30 GHEDRO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](Cc1cncc(C#N)c1)CC2 ZINC001198620067 874551556 /nfs/dbraw/zinc/55/15/56/874551556.db2.gz BIIDFKVAIZOQQD-LJQANCHMSA-N 1 0 384.524 3.811 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000464845001 874621019 /nfs/dbraw/zinc/62/10/19/874621019.db2.gz CVQNIWARMCSOSC-YLJYHZDGSA-N 1 0 394.519 3.549 20 30 GHEDRO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@]12CCC[C@H]1OCC2 ZINC001198791790 874636418 /nfs/dbraw/zinc/63/64/18/874636418.db2.gz YVLOCYLLUVPJFT-WIYYLYMNSA-N 1 0 387.549 3.718 20 30 GHEDRO COc1ccc(C[C@H](CO)C[NH2+]C2CCC(C)(C#N)CC2)cc1Br ZINC000449598581 875104140 /nfs/dbraw/zinc/10/41/40/875104140.db2.gz IWHRPHUZZFRPMZ-LYGPFTKASA-N 1 0 395.341 3.671 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271768980 875154979 /nfs/dbraw/zinc/15/49/79/875154979.db2.gz JIRUBDJYLMUQED-UHFFFAOYSA-N 1 0 399.498 3.887 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)c1C ZINC000192365083 882903078 /nfs/dbraw/zinc/90/30/78/882903078.db2.gz JAPVPXRPORWHOA-FQEVSTJZSA-N 1 0 377.488 3.923 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc(OC)c1O ZINC000449653840 875185126 /nfs/dbraw/zinc/18/51/26/875185126.db2.gz CULNZVCKYBEMRV-QWFCFKBJSA-N 1 0 385.508 3.613 20 30 GHEDRO CC[N@H+](CCC1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000771475840 875277091 /nfs/dbraw/zinc/27/70/91/875277091.db2.gz OAVAFLPGJFQXEC-JOCHJYFZSA-N 1 0 383.536 3.606 20 30 GHEDRO N#C[C@H](C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccccn1 ZINC000528918809 875291701 /nfs/dbraw/zinc/29/17/01/875291701.db2.gz JILGJGWTWKAWRV-FDFHNCONSA-N 1 0 382.467 3.569 20 30 GHEDRO CCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000609150575 875596258 /nfs/dbraw/zinc/59/62/58/875596258.db2.gz BBNXYDPIYPUXGC-JOCHJYFZSA-N 1 0 391.519 3.712 20 30 GHEDRO COc1ccc(C#N)cc1Nc1cc(I)c2nccn2c1 ZINC001201582064 875764005 /nfs/dbraw/zinc/76/40/05/875764005.db2.gz KNJWSKOPXLQMBC-UHFFFAOYSA-N 1 0 390.184 3.563 20 30 GHEDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)O2 ZINC001201726786 875830481 /nfs/dbraw/zinc/83/04/81/875830481.db2.gz KHOVYOVYCIOGQV-CRPOECCBSA-N 1 0 379.298 3.732 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000858245917 882971901 /nfs/dbraw/zinc/97/19/01/882971901.db2.gz YJZWMLKPQCOHLV-JOCHJYFZSA-N 1 0 398.938 3.685 20 30 GHEDRO CCCCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC(C)C ZINC000460747266 875890224 /nfs/dbraw/zinc/89/02/24/875890224.db2.gz MCLGQEDEZMDJER-UHFFFAOYSA-N 1 0 394.567 3.861 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cccnc2)C1 ZINC001201847024 875900986 /nfs/dbraw/zinc/90/09/86/875900986.db2.gz RCMFMFPHUPFMIV-FDFHNCONSA-N 1 0 387.568 3.899 20 30 GHEDRO CCCCCCCCCC[NH+]1CCC2(CN(CCOC)C(=O)[C@@H]2COC)CC1 ZINC001201875167 875920043 /nfs/dbraw/zinc/92/00/43/875920043.db2.gz RMDUNHRKCMFUDK-NRFANRHFSA-N 1 0 396.616 3.961 20 30 GHEDRO COc1cc2c(c(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)c1)O[C@H](C)C2 ZINC001201954020 875952231 /nfs/dbraw/zinc/95/22/31/875952231.db2.gz DUIDNFYGPHPMCP-OAHLLOKOSA-N 1 0 388.471 3.581 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1Cl ZINC000785576079 876137924 /nfs/dbraw/zinc/13/79/24/876137924.db2.gz ZQKRPMAITLHVRO-RBZFPXEDSA-N 1 0 375.852 3.845 20 30 GHEDRO Cc1ccc(F)c(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2cccc(C)c2)c1 ZINC000151930941 876170234 /nfs/dbraw/zinc/17/02/34/876170234.db2.gz PNKXRNMDJDQBJM-UHFFFAOYSA-O 1 0 383.472 3.514 20 30 GHEDRO N#Cc1cc(Cl)ccc1COC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785708687 876214861 /nfs/dbraw/zinc/21/48/61/876214861.db2.gz DEIWOPWGNVLYDT-UHFFFAOYSA-N 1 0 398.890 3.773 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000065473057 876238641 /nfs/dbraw/zinc/23/86/41/876238641.db2.gz OIYPLLKCAVZFJK-UHFFFAOYSA-N 1 0 392.503 3.915 20 30 GHEDRO N#Cc1cccc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000450361596 876308539 /nfs/dbraw/zinc/30/85/39/876308539.db2.gz CYGXSDYQQLSVBE-JOCHJYFZSA-N 1 0 376.460 3.959 20 30 GHEDRO N#Cc1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000450394374 876349992 /nfs/dbraw/zinc/34/99/92/876349992.db2.gz RERRURRSVUIJTN-WOJBJXKFSA-N 1 0 376.460 3.957 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000858324316 883025947 /nfs/dbraw/zinc/02/59/47/883025947.db2.gz VGBXDHLEHXWWGA-VNQPRFMTSA-N 1 0 376.526 3.528 20 30 GHEDRO C[C@@H]1[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000858327380 883028466 /nfs/dbraw/zinc/02/84/66/883028466.db2.gz QLWSTFKRULWKRF-UTKZUKDTSA-N 1 0 398.551 3.510 20 30 GHEDRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN(CC#N)CC2)o1 ZINC000609334830 883030322 /nfs/dbraw/zinc/03/03/22/883030322.db2.gz JBGLUWLSDZXBAC-UHFFFAOYSA-N 1 0 375.476 3.518 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@](C)(C#N)CCc2ccccc2)cc1 ZINC000776427683 876465872 /nfs/dbraw/zinc/46/58/72/876465872.db2.gz QZJFNBMKMHASIO-PSVMIJIFSA-N 1 0 391.515 3.671 20 30 GHEDRO COc1cc(C[N@H+](C)CC2(O)CCCC2)ccc1OCc1cccc(C#N)c1 ZINC000152066101 876686817 /nfs/dbraw/zinc/68/68/17/876686817.db2.gz KMTGEFMMBKMUNO-UHFFFAOYSA-N 1 0 380.488 3.883 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000121370056 876954567 /nfs/dbraw/zinc/95/45/67/876954567.db2.gz FJOQDDNVKYPFPE-UHFFFAOYSA-N 1 0 393.487 3.925 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)o1 ZINC000492489776 876959236 /nfs/dbraw/zinc/95/92/36/876959236.db2.gz XYOJWJNFJKUPGF-SIKLNZKXSA-N 1 0 378.403 3.831 20 30 GHEDRO Clc1ccc(-c2noc(N=NC3CCOC[C@@H]3C[NH+]3CCCCC3)n2)cc1 ZINC000787155687 877202340 /nfs/dbraw/zinc/20/23/40/877202340.db2.gz UQMUWHLNEWVBHQ-HNNXBMFYSA-N 1 0 389.887 3.680 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2c(F)cc(C#N)cc2F)cc1 ZINC000551450837 877229606 /nfs/dbraw/zinc/22/96/06/877229606.db2.gz RSPJJLXJHAKSSO-UHFFFAOYSA-N 1 0 386.446 3.520 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000093359972 912222350 /nfs/dbraw/zinc/22/23/50/912222350.db2.gz OGELONSSADUSPE-OAQYLSRUSA-N 1 0 396.922 3.927 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)CNc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000064737759 877410887 /nfs/dbraw/zinc/41/08/87/877410887.db2.gz LNMIYQPLPWHXED-JOCHJYFZSA-N 1 0 376.504 3.560 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cc(C(=O)Nc2cc(C)ccn2)ccc1C ZINC001183075659 912234994 /nfs/dbraw/zinc/23/49/94/912234994.db2.gz BLDZZEZYCZXJOU-UHFFFAOYSA-N 1 0 378.476 3.541 20 30 GHEDRO C[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000551601120 877520379 /nfs/dbraw/zinc/52/03/79/877520379.db2.gz DMGHCZRWZYOETK-DEOSSOPVSA-N 1 0 399.542 3.822 20 30 GHEDRO Cc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC000443998332 877522130 /nfs/dbraw/zinc/52/21/30/877522130.db2.gz PBNPNULRMRFLQJ-KRWDZBQOSA-N 1 0 378.394 3.706 20 30 GHEDRO C#CCCC1(CCNC(=O)CCC[N@@H+](CC)[C@@H](C)Cc2ccc(O)cc2)N=N1 ZINC001183055636 912251092 /nfs/dbraw/zinc/25/10/92/912251092.db2.gz IBGSGMNTTCLJSQ-SFHVURJKSA-N 1 0 384.524 3.507 20 30 GHEDRO CC(C)(C[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)C(N)=O ZINC000451219838 877603632 /nfs/dbraw/zinc/60/36/32/877603632.db2.gz UPYOHVUFYFJDTM-MRXNPFEDSA-N 1 0 382.426 3.550 20 30 GHEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000451248154 877659431 /nfs/dbraw/zinc/65/94/31/877659431.db2.gz NOMZGXWCFHVODV-AAEUAGOBSA-N 1 0 378.822 3.993 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000477457283 877660807 /nfs/dbraw/zinc/66/08/07/877660807.db2.gz GZAULLMMANNNJZ-KRWDZBQOSA-N 1 0 376.378 3.596 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3nc(Cl)c(C#N)s3)cc2)C[C@H](C)O1 ZINC000787891408 877692218 /nfs/dbraw/zinc/69/22/18/877692218.db2.gz CYANZULBKQPICI-STQMWFEESA-N 1 0 376.913 3.889 20 30 GHEDRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)on1 ZINC000067965738 877712695 /nfs/dbraw/zinc/71/26/95/877712695.db2.gz QLPVBSDIGQNEAW-MRXNPFEDSA-N 1 0 384.505 3.961 20 30 GHEDRO CC1CCC([N@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)CC1 ZINC000477601314 877915754 /nfs/dbraw/zinc/91/57/54/877915754.db2.gz LVVAYEGJEYWSLL-KNIBVPGVSA-N 1 0 397.519 3.604 20 30 GHEDRO C=C(C)CN(C)C(=O)Nc1ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c1 ZINC000477617172 877953145 /nfs/dbraw/zinc/95/31/45/877953145.db2.gz UQFAPPYKLSDEHL-UHFFFAOYSA-N 1 0 394.947 3.842 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1OC ZINC000179739671 877954639 /nfs/dbraw/zinc/95/46/39/877954639.db2.gz FNUBAVNJJVNDPL-KRWDZBQOSA-N 1 0 376.497 3.607 20 30 GHEDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1(C)C ZINC000451495005 878045643 /nfs/dbraw/zinc/04/56/43/878045643.db2.gz SUURLLRQADPEOL-JNAXZKDPSA-N 1 0 375.538 3.813 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1 ZINC000451498808 878049517 /nfs/dbraw/zinc/04/95/17/878049517.db2.gz NUAOKDJZTKTGNM-WOJBJXKFSA-N 1 0 387.524 3.514 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000852106800 878077751 /nfs/dbraw/zinc/07/77/51/878077751.db2.gz JDJIQUVNZMQKKZ-UYAOXDASSA-N 1 0 384.524 3.574 20 30 GHEDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@@H]1C ZINC000451522870 878082818 /nfs/dbraw/zinc/08/28/18/878082818.db2.gz BVPOGFMDDZUVJC-RLFYNMQTSA-N 1 0 389.565 3.820 20 30 GHEDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000451526877 878088631 /nfs/dbraw/zinc/08/86/31/878088631.db2.gz OGIBOXRGTCEFDO-YOEHRIQHSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451542796 878108976 /nfs/dbraw/zinc/10/89/76/878108976.db2.gz AFLHNJFAGVVNPL-SFHVURJKSA-N 1 0 378.432 3.675 20 30 GHEDRO Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000551990364 878118501 /nfs/dbraw/zinc/11/85/01/878118501.db2.gz FTKCGUNZKFYDSU-LJQANCHMSA-N 1 0 389.478 3.856 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000451607245 878206089 /nfs/dbraw/zinc/20/60/89/878206089.db2.gz KGCKYBIXZYXINJ-CVEARBPZSA-N 1 0 381.314 3.718 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000451608105 878207269 /nfs/dbraw/zinc/20/72/69/878207269.db2.gz MIVCXKFCGRXDKM-LZQZEXGQSA-N 1 0 383.517 3.634 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460575272 878211159 /nfs/dbraw/zinc/21/11/59/878211159.db2.gz GUIQAIOTOGSDKD-LJQANCHMSA-N 1 0 390.535 3.599 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460580499 878221611 /nfs/dbraw/zinc/22/16/11/878221611.db2.gz WPVRWRARZSCTNM-QKNQBKEWSA-N 1 0 395.551 3.662 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000285540281 912331215 /nfs/dbraw/zinc/33/12/15/912331215.db2.gz DGPBWLHOHGMYFQ-UHFFFAOYSA-N 1 0 383.879 3.668 20 30 GHEDRO C#CCC[NH+]1CCN(Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000776594697 878307651 /nfs/dbraw/zinc/30/76/51/878307651.db2.gz RSALZEYDKJGCHG-UHFFFAOYSA-N 1 0 390.350 3.714 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285568256 912342603 /nfs/dbraw/zinc/34/26/03/912342603.db2.gz NOIVARFKSPXWBQ-KZNAEPCWSA-N 1 0 386.565 3.578 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000180046729 878400576 /nfs/dbraw/zinc/40/05/76/878400576.db2.gz VVARCAMLAWUJAZ-JOCHJYFZSA-N 1 0 379.504 3.759 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000122162546 878410794 /nfs/dbraw/zinc/41/07/94/878410794.db2.gz NFWWUTWKRPRPBZ-QGZVFWFLSA-N 1 0 381.524 3.581 20 30 GHEDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1OC ZINC001183197356 912346794 /nfs/dbraw/zinc/34/67/94/912346794.db2.gz SDGSZKBGFYHHLH-KRWDZBQOSA-N 1 0 379.504 3.765 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CCCC1 ZINC000852588444 878444250 /nfs/dbraw/zinc/44/42/50/878444250.db2.gz SIWWIQWOYLRNGE-UHFFFAOYSA-N 1 0 381.476 3.627 20 30 GHEDRO Cc1cc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)ccc1C#N ZINC000852600028 878452787 /nfs/dbraw/zinc/45/27/87/878452787.db2.gz BVJQWEYSRLPTQE-LJQANCHMSA-N 1 0 393.453 3.880 20 30 GHEDRO CCO[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000122614934 878456529 /nfs/dbraw/zinc/45/65/29/878456529.db2.gz VVIWRBFWXKOJSN-GJZGRUSLSA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451778225 878461174 /nfs/dbraw/zinc/46/11/74/878461174.db2.gz DCIRCKJMHJDZPZ-JKSUJKDBSA-N 1 0 377.554 3.606 20 30 GHEDRO CC(C)[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731295 878559949 /nfs/dbraw/zinc/55/99/49/878559949.db2.gz WOTPDCWEXQQEHF-ACRUOGEOSA-N 1 0 397.906 3.665 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000852847332 878633239 /nfs/dbraw/zinc/63/32/39/878633239.db2.gz MNTDTVKCWHRUPM-UHFFFAOYSA-N 1 0 378.438 3.984 20 30 GHEDRO CC(C)(C)Oc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000852848907 878633591 /nfs/dbraw/zinc/63/35/91/878633591.db2.gz VBHYWHRHSFKGSZ-UHFFFAOYSA-N 1 0 382.426 3.502 20 30 GHEDRO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852847215 878633691 /nfs/dbraw/zinc/63/36/91/878633691.db2.gz PUDYPAZNZFODEU-SFHVURJKSA-N 1 0 376.500 3.885 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000538139939 878881270 /nfs/dbraw/zinc/88/12/70/878881270.db2.gz GAQRTPWSWGOCRM-MRXNPFEDSA-N 1 0 399.466 3.830 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1Oc1ccccc1 ZINC000538156166 878929462 /nfs/dbraw/zinc/92/94/62/878929462.db2.gz VTCRKBYRQAHSHO-SFHVURJKSA-N 1 0 376.460 3.785 20 30 GHEDRO C#CCCCOc1cccnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000853356899 878982807 /nfs/dbraw/zinc/98/28/07/878982807.db2.gz LYFSBBPOUWTRFL-UHFFFAOYSA-N 1 0 379.504 3.511 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000538179377 878987295 /nfs/dbraw/zinc/98/72/95/878987295.db2.gz IKRHUVUMKFQSSD-UHFFFAOYSA-N 1 0 397.544 3.538 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000538198819 879020078 /nfs/dbraw/zinc/02/00/78/879020078.db2.gz NZRNARKINIQOBV-UHFFFAOYSA-N 1 0 393.491 3.590 20 30 GHEDRO CC/C(=C\C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000746820491 879034726 /nfs/dbraw/zinc/03/47/26/879034726.db2.gz JUVOWWCEKNHZFG-LTGZKZEYSA-N 1 0 391.515 3.951 20 30 GHEDRO C=CC[C@H]1CCCN(Cn2nc(CC[NH+]3CCCCC3)n(CC=C)c2=S)C1 ZINC000853536913 879096354 /nfs/dbraw/zinc/09/63/54/879096354.db2.gz ZDYGGJXXTASZDR-IBGZPJMESA-N 1 0 389.613 3.874 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000538266092 879113017 /nfs/dbraw/zinc/11/30/17/879113017.db2.gz NXORDROWCQDNSH-KRWDZBQOSA-N 1 0 381.476 3.619 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC2(N3CCCCC3)CCOCC2)ccc1OC ZINC000111403831 879123008 /nfs/dbraw/zinc/12/30/08/879123008.db2.gz DELHZKAWKWJSDV-UHFFFAOYSA-N 1 0 388.552 3.775 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000068884494 879138410 /nfs/dbraw/zinc/13/84/10/879138410.db2.gz SDVXGYFWWUWUPG-GOSISDBHSA-N 1 0 388.512 3.947 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000178830051 879247343 /nfs/dbraw/zinc/24/73/43/879247343.db2.gz YLXTZZLQVJUION-KRWDZBQOSA-N 1 0 391.943 3.791 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000178853398 879256512 /nfs/dbraw/zinc/25/65/12/879256512.db2.gz YAWTZAMTCOVHBF-NRFANRHFSA-N 1 0 385.479 3.589 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)CC1 ZINC000068920277 879257750 /nfs/dbraw/zinc/25/77/50/879257750.db2.gz ZKEJMAZABFBZEA-UHFFFAOYSA-N 1 0 382.483 3.593 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)CC1 ZINC000538354600 879341779 /nfs/dbraw/zinc/34/17/79/879341779.db2.gz XUMJBEXHRSRBPG-UHFFFAOYSA-N 1 0 386.883 3.671 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(F)cc(Br)cc3F)CC2)C1=O ZINC001275154405 912446288 /nfs/dbraw/zinc/44/62/88/912446288.db2.gz AVDLSEOVOQQHFC-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO C#CC[C@@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccccc1 ZINC000853911985 879367491 /nfs/dbraw/zinc/36/74/91/879367491.db2.gz WRFGGSYRVAFIED-XZOQPEGZSA-N 1 0 375.516 3.709 20 30 GHEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000538389185 879401294 /nfs/dbraw/zinc/40/12/94/879401294.db2.gz CBKWFXBGTAEWNI-LAUBAEHRSA-N 1 0 386.467 3.520 20 30 GHEDRO CC(C)C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(C(F)(F)F)c1 ZINC000180867058 879429080 /nfs/dbraw/zinc/42/90/80/879429080.db2.gz DTGMAITVEMPJOB-NXDJFEHLSA-N 1 0 395.425 3.909 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000790103179 879469822 /nfs/dbraw/zinc/46/98/22/879469822.db2.gz BRRVKPWHJNWJAE-UHFFFAOYSA-N 1 0 386.417 3.838 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000790238347 879539536 /nfs/dbraw/zinc/53/95/36/879539536.db2.gz QFLNJJNPXZIRHM-GOSISDBHSA-N 1 0 390.443 3.888 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc(C4(C#N)CC4)cc3)CCCCC2)CCO1 ZINC000538522946 879621813 /nfs/dbraw/zinc/62/18/13/879621813.db2.gz WULYQYZETSYLJS-UHFFFAOYSA-N 1 0 395.547 3.785 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000538507936 879629142 /nfs/dbraw/zinc/62/91/42/879629142.db2.gz MGHDALJVZRJFLD-GFCCVEGCSA-N 1 0 390.256 3.540 20 30 GHEDRO CC[N@H+](CC(=O)NCCc1cccc2cccnc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000493848011 879662840 /nfs/dbraw/zinc/66/28/40/879662840.db2.gz SESLXVUWLVSZSS-SFHVURJKSA-N 1 0 386.499 3.848 20 30 GHEDRO CCN(CC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1)C(=O)OC(C)(C)C ZINC000093865619 912481490 /nfs/dbraw/zinc/48/14/90/912481490.db2.gz OAYIGNKPSMSEOA-UHFFFAOYSA-N 1 0 397.523 3.675 20 30 GHEDRO N#Cc1ccc(NCC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000493964708 879782292 /nfs/dbraw/zinc/78/22/92/879782292.db2.gz GSVRTWGIHLEIRY-UHFFFAOYSA-N 1 0 376.504 3.663 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246794304 879805045 /nfs/dbraw/zinc/80/50/45/879805045.db2.gz RJSIOXFRHLGAGB-PZJWPPBQSA-N 1 0 376.504 3.898 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(I)c1 ZINC000790541813 879833696 /nfs/dbraw/zinc/83/36/96/879833696.db2.gz CIYMEFRESANWEL-UHFFFAOYSA-N 1 0 377.225 3.593 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000531442736 879862280 /nfs/dbraw/zinc/86/22/80/879862280.db2.gz ZFEVITZONOCRGT-FYYLOGMGSA-N 1 0 388.515 3.905 20 30 GHEDRO COc1ccccc1[C@H](CNc1c(C#N)cnc2c(C)cc(F)cc21)[NH+](C)C ZINC000461466648 879885926 /nfs/dbraw/zinc/88/59/26/879885926.db2.gz YTSKFGDKNWWJAM-IBGZPJMESA-N 1 0 378.451 3.699 20 30 GHEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000790653624 879918874 /nfs/dbraw/zinc/91/88/74/879918874.db2.gz WCIINJJSEKFHCN-KRWDZBQOSA-N 1 0 385.533 3.681 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(-n4cccn4)c3)C2)c(F)c1 ZINC000531611921 880201568 /nfs/dbraw/zinc/20/15/68/880201568.db2.gz UWBXAPNKSJPUFS-IBGZPJMESA-N 1 0 375.451 3.642 20 30 GHEDRO CC(C)Oc1ccc([C@H]2CCCC2=NNC(=S)NCCC[NH+](C)C)cc1 ZINC000776769247 880201798 /nfs/dbraw/zinc/20/17/98/880201798.db2.gz CQEJKWRDCKOVEK-GOSISDBHSA-N 1 0 376.570 3.513 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)CC[N@H+](C)C2CCCCC2)ccc1OC ZINC000791128572 880202123 /nfs/dbraw/zinc/20/21/23/880202123.db2.gz FAYCDCFZSVWGGP-IBGZPJMESA-N 1 0 387.524 3.647 20 30 GHEDRO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000855304874 880422636 /nfs/dbraw/zinc/42/26/36/880422636.db2.gz OTEJACOZMUCZDH-XUZZJYLKSA-N 1 0 388.515 3.520 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000531844473 880593981 /nfs/dbraw/zinc/59/39/81/880593981.db2.gz LEQQXAWGOGIGAQ-UHFFFAOYSA-N 1 0 391.519 3.773 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185616545 880636070 /nfs/dbraw/zinc/63/60/70/880636070.db2.gz FORFQOSAQPSALT-UHFFFAOYSA-N 1 0 394.515 3.997 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000791817206 880713122 /nfs/dbraw/zinc/71/31/22/880713122.db2.gz FSNUWQUHSSTNOX-UHFFFAOYSA-N 1 0 395.425 3.625 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3ccc(OC)c(Cl)c3)cn2)CC1 ZINC000791881009 880753248 /nfs/dbraw/zinc/75/32/48/880753248.db2.gz GTHPUKYBQZCYCC-UHFFFAOYSA-N 1 0 383.879 3.694 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3c3cnn(C)c3)sc2C1 ZINC000173316158 880872421 /nfs/dbraw/zinc/87/24/21/880872421.db2.gz BOBBVKZUBLYDEA-RDTXWAMCSA-N 1 0 397.548 3.644 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000453413825 880877040 /nfs/dbraw/zinc/87/70/40/880877040.db2.gz LXZZWRLTOKQJIQ-FYQPLNBISA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000453415170 880880534 /nfs/dbraw/zinc/88/05/34/880880534.db2.gz RCQKBBLIMJXAPJ-HXUWFJFHSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000453416396 880881762 /nfs/dbraw/zinc/88/17/62/880881762.db2.gz VZZUUAOAMJQWII-ICSRJNTNSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000453416276 880882078 /nfs/dbraw/zinc/88/20/78/880882078.db2.gz VSEIUMWNNBPSQD-ZCNNSNEGSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453438346 880898801 /nfs/dbraw/zinc/89/88/01/880898801.db2.gz JSIDCZGGLWVQRN-KRWDZBQOSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000453446955 880915172 /nfs/dbraw/zinc/91/51/72/880915172.db2.gz WUJMNFNNNRIDDN-FQEVSTJZSA-N 1 0 387.572 3.798 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000453447414 880915337 /nfs/dbraw/zinc/91/53/37/880915337.db2.gz XGZLYECMSIWPHN-TZIWHRDSSA-N 1 0 395.551 3.664 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1OC ZINC000186587557 880925793 /nfs/dbraw/zinc/92/57/93/880925793.db2.gz BWSCCSPKVKKQIR-UHFFFAOYSA-N 1 0 385.479 3.969 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000453460994 880962649 /nfs/dbraw/zinc/96/26/49/880962649.db2.gz FKZLINZGQAKTQD-MHJFOBGBSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000453471170 880985586 /nfs/dbraw/zinc/98/55/86/880985586.db2.gz SJJJSSKQCROVPD-NHCUHLMSSA-N 1 0 395.551 3.807 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000532032932 881004973 /nfs/dbraw/zinc/00/49/73/881004973.db2.gz JEIPLHWAYCLTCT-MBSDFSHPSA-N 1 0 379.504 3.691 20 30 GHEDRO Cn1nc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c2ccccc21 ZINC000187395286 881178011 /nfs/dbraw/zinc/17/80/11/881178011.db2.gz PPAWXZMSKHKELJ-UHFFFAOYSA-N 1 0 384.487 3.683 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000494225797 881274269 /nfs/dbraw/zinc/27/42/69/881274269.db2.gz CQYPSSWDCYGGEY-PKOBYXMFSA-N 1 0 375.806 3.551 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1F ZINC000556977458 881301459 /nfs/dbraw/zinc/30/14/59/881301459.db2.gz FESNTHUNBYYYNL-QGZVFWFLSA-N 1 0 380.423 3.848 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+]1CCC(C)CC1 ZINC000609516342 883285371 /nfs/dbraw/zinc/28/53/71/883285371.db2.gz PMJIFSZAZUFFBQ-KRWDZBQOSA-N 1 0 378.476 3.596 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000609515831 883286336 /nfs/dbraw/zinc/28/63/36/883286336.db2.gz JKTRIENJNVWONM-QZTJIDSGSA-N 1 0 392.503 3.843 20 30 GHEDRO N#CCSCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000195338504 883286691 /nfs/dbraw/zinc/28/66/91/883286691.db2.gz CCHINSZBSZNXLA-UHFFFAOYSA-N 1 0 386.348 3.675 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000609574397 883356901 /nfs/dbraw/zinc/35/69/01/883356901.db2.gz TUFMTXMUOGSMNZ-VXGBXAGGSA-N 1 0 383.473 3.515 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609610289 883421906 /nfs/dbraw/zinc/42/19/06/883421906.db2.gz SJZDAWILLIHADF-KJXAQDMKSA-N 1 0 394.563 3.640 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000804945635 883479772 /nfs/dbraw/zinc/47/97/72/883479772.db2.gz LVYAOXISVLMCJK-QHCPKHFHSA-N 1 0 377.532 3.961 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C[NH+]1CCCCC1 ZINC000609660577 883497839 /nfs/dbraw/zinc/49/78/39/883497839.db2.gz PWTCJSXPJJBBAO-LJQANCHMSA-N 1 0 391.515 3.989 20 30 GHEDRO CC(C)C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[NH+](C)C ZINC000609663917 883509473 /nfs/dbraw/zinc/50/94/73/883509473.db2.gz MGXFWVSZRABEJA-OAQYLSRUSA-N 1 0 379.504 3.843 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(C)(C)C ZINC000609698649 883575835 /nfs/dbraw/zinc/57/58/35/883575835.db2.gz MEQBUGPIIXVOMC-LJQANCHMSA-N 1 0 380.492 3.842 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000475776833 883649357 /nfs/dbraw/zinc/64/93/57/883649357.db2.gz SXWBBLQGMNNPSI-KRWDZBQOSA-N 1 0 377.554 3.509 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465431136 883692232 /nfs/dbraw/zinc/69/22/32/883692232.db2.gz SGVLERVDIMNPFK-VABKMULXSA-N 1 0 390.531 3.641 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598396983 883754873 /nfs/dbraw/zinc/75/48/73/883754873.db2.gz QUCDIYCAHSLEEU-SFHVURJKSA-N 1 0 377.463 3.729 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2cnc3n2CCCC3)cc1 ZINC000551382571 883765691 /nfs/dbraw/zinc/76/56/91/883765691.db2.gz IYAFCVPDYYNBLG-UHFFFAOYSA-N 1 0 390.418 3.952 20 30 GHEDRO CCc1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000609903538 883780905 /nfs/dbraw/zinc/78/09/05/883780905.db2.gz YFDGKLBLXCURAB-UHFFFAOYSA-N 1 0 390.531 3.581 20 30 GHEDRO CN(Cc1ccccc1Br)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551412627 883829120 /nfs/dbraw/zinc/82/91/20/883829120.db2.gz ZJQPOBDMBLOHPF-UHFFFAOYSA-N 1 0 398.304 3.558 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000556206001 884087764 /nfs/dbraw/zinc/08/77/64/884087764.db2.gz JTQVJZQIEGRKDW-UHFFFAOYSA-N 1 0 383.879 3.741 20 30 GHEDRO CN(C)C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000859847178 884118097 /nfs/dbraw/zinc/11/80/97/884118097.db2.gz CUMMCAVEUYFHQP-RBUKOAKNSA-N 1 0 378.303 3.791 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000498361394 884154971 /nfs/dbraw/zinc/15/49/71/884154971.db2.gz ATPNJKPMMPACSJ-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001275241598 912795727 /nfs/dbraw/zinc/79/57/27/912795727.db2.gz FTLKQHRZQCKVDW-IBGZPJMESA-N 1 0 393.325 3.688 20 30 GHEDRO CN(Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1cc(C#N)cs1 ZINC000897624448 884186617 /nfs/dbraw/zinc/18/66/17/884186617.db2.gz KPAPUQFFMIKGOI-UHFFFAOYSA-N 1 0 390.509 4.000 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)C[C@@H]1c1ccc(Br)cc1 ZINC000897625572 884196705 /nfs/dbraw/zinc/19/67/05/884196705.db2.gz GGZNCIVTDLINQP-GDBMZVCRSA-N 1 0 391.338 3.702 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000914581356 884246953 /nfs/dbraw/zinc/24/69/53/884246953.db2.gz ANBMTKLAWFEANC-KRWDZBQOSA-N 1 0 393.350 3.915 20 30 GHEDRO N#CC[C@@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000476299128 884392908 /nfs/dbraw/zinc/39/29/08/884392908.db2.gz IGQRWVGWGCAIHP-QFIPXVFZSA-N 1 0 391.515 3.917 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000102774754 884429393 /nfs/dbraw/zinc/42/93/93/884429393.db2.gz LKRUHMSVADGZMJ-UHFFFAOYSA-N 1 0 381.501 3.938 20 30 GHEDRO COC(=O)c1cccc2c(C[NH2+]Cc3ccc(SC)c(C#N)c3)ccnc12 ZINC001183798581 912829060 /nfs/dbraw/zinc/82/90/60/912829060.db2.gz GCTTTWAOODCSRZ-UHFFFAOYSA-N 1 0 377.469 3.905 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C/c1ccc(Br)o1)C(C)C ZINC000914687836 884511229 /nfs/dbraw/zinc/51/12/29/884511229.db2.gz DECYMFDHGHRYMG-XAVKZTDYSA-N 1 0 381.314 3.870 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000487844212 884685260 /nfs/dbraw/zinc/68/52/60/884685260.db2.gz VVRMWUCHCAKHNW-GOSISDBHSA-N 1 0 399.466 3.576 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000806551080 884802139 /nfs/dbraw/zinc/80/21/39/884802139.db2.gz IDWZLVDMZGYQFQ-KZKMUKRCSA-N 1 0 383.492 3.668 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H]1C ZINC000498565708 884850634 /nfs/dbraw/zinc/85/06/34/884850634.db2.gz DASHCMGPQFEQDC-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000860647847 884875707 /nfs/dbraw/zinc/87/57/07/884875707.db2.gz AAGYFMGXTSWFHD-RXVVDRJESA-N 1 0 375.516 3.863 20 30 GHEDRO C=CCN(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H](C)COC ZINC000666383746 884903680 /nfs/dbraw/zinc/90/36/80/884903680.db2.gz JCAWPNZSSRSIHX-SFHVURJKSA-N 1 0 375.513 3.606 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001183889491 912875075 /nfs/dbraw/zinc/87/50/75/912875075.db2.gz QEUJWTCQBYQXAR-UHFFFAOYSA-N 1 0 390.531 3.758 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]1(C[NH2+][C@H]1CCC[C@H](C#N)C1)C(F)(F)F ZINC001183900151 912879856 /nfs/dbraw/zinc/87/98/56/912879856.db2.gz ZXPLFCSCIYTHFW-ZQIUZPCESA-N 1 0 375.435 3.990 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460369234 885035887 /nfs/dbraw/zinc/03/58/87/885035887.db2.gz KKRVMWCUWRKHED-HXUWFJFHSA-N 1 0 390.535 3.530 20 30 GHEDRO CO[C@H](C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000860856328 885056856 /nfs/dbraw/zinc/05/68/56/885056856.db2.gz GTNQMCPOQQDGSR-NRFANRHFSA-N 1 0 396.462 3.862 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c(OC)c1 ZINC000106874781 885187211 /nfs/dbraw/zinc/18/72/11/885187211.db2.gz BGCXTRBNGNKMNM-YJBOKZPZSA-N 1 0 390.549 3.930 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498703432 885409507 /nfs/dbraw/zinc/40/95/07/885409507.db2.gz LGDVKNOFWAALPN-TZIWHRDSSA-N 1 0 381.520 3.930 20 30 GHEDRO N#Cc1cnc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c(Cl)c1 ZINC000610891564 885428003 /nfs/dbraw/zinc/42/80/03/885428003.db2.gz ULCQEOVRQFOJQI-UHFFFAOYSA-N 1 0 382.895 3.913 20 30 GHEDRO N#CC1(NC(=O)C[C@@H]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000537591244 885775717 /nfs/dbraw/zinc/77/57/17/885775717.db2.gz YOZLAQPMRZBPNA-OAQYLSRUSA-N 1 0 387.527 3.856 20 30 GHEDRO COC(=O)c1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n2c1CCCC2 ZINC001184045028 912982884 /nfs/dbraw/zinc/98/28/84/912982884.db2.gz HVNVLHFYDPXJIQ-UHFFFAOYSA-N 1 0 377.488 3.862 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000861844031 885920774 /nfs/dbraw/zinc/92/07/74/885920774.db2.gz HRAPYBLRUDQKRZ-HXUWFJFHSA-N 1 0 381.545 3.977 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)c1C#N ZINC000532545869 885962724 /nfs/dbraw/zinc/96/27/24/885962724.db2.gz YSLMUSDJPVOFQY-HXUWFJFHSA-N 1 0 397.567 3.590 20 30 GHEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)c2cccs2)CC1 ZINC000498877305 885998133 /nfs/dbraw/zinc/99/81/33/885998133.db2.gz SDBOKVZTTROWOU-KRWDZBQOSA-N 1 0 395.594 3.524 20 30 GHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)CC2(C#N)CCCC2)c2cccs2)CC1 ZINC000498877306 885998195 /nfs/dbraw/zinc/99/81/95/885998195.db2.gz SDBOKVZTTROWOU-QGZVFWFLSA-N 1 0 395.594 3.524 20 30 GHEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000919674478 886113323 /nfs/dbraw/zinc/11/33/23/886113323.db2.gz WCYFPTFKQVHJIQ-KRWDZBQOSA-N 1 0 398.894 3.726 20 30 GHEDRO N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CCO2)c1 ZINC000762385217 886131135 /nfs/dbraw/zinc/13/11/35/886131135.db2.gz RNVVOECIHMZVIT-DHIUTWEWSA-N 1 0 389.499 3.513 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2C)c1C#N ZINC000532582334 886175498 /nfs/dbraw/zinc/17/54/98/886175498.db2.gz VDHFERQVLQVOAK-LSDHHAIUSA-N 1 0 382.483 3.833 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000153558069 886247648 /nfs/dbraw/zinc/24/76/48/886247648.db2.gz MKNCIVLXSCNRQV-HSZRJFAPSA-N 1 0 378.472 3.758 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC000762478676 886269839 /nfs/dbraw/zinc/26/98/39/886269839.db2.gz CVUANBZONAUPMX-SJLPKXTDSA-N 1 0 390.524 3.995 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000104885376 886297651 /nfs/dbraw/zinc/29/76/51/886297651.db2.gz CTNFEOZUTIPECX-FXAWDEMLSA-N 1 0 393.512 3.939 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000808422284 886342320 /nfs/dbraw/zinc/34/23/20/886342320.db2.gz IOEIAUWDMPAYDO-QGZVFWFLSA-N 1 0 382.426 3.512 20 30 GHEDRO C=CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000056772329 886374700 /nfs/dbraw/zinc/37/47/00/886374700.db2.gz LLNQJQLRPDBGBQ-UHFFFAOYSA-N 1 0 395.503 4.000 20 30 GHEDRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCOCC1 ZINC000862521117 886423486 /nfs/dbraw/zinc/42/34/86/886423486.db2.gz QWFDONDMHLOLQY-UHFFFAOYSA-N 1 0 387.524 3.651 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072823736 886442364 /nfs/dbraw/zinc/44/23/64/886442364.db2.gz AJNAMOODRMNIFK-SFTDATJTSA-N 1 0 384.568 3.602 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cc(O)cc(Cl)c3)CC2)C1=O ZINC001275294761 913051478 /nfs/dbraw/zinc/05/14/78/913051478.db2.gz QVGGTQRFXYTWFM-HXUWFJFHSA-N 1 0 375.900 3.554 20 30 GHEDRO C=CCNc1ncc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000131927312 886604555 /nfs/dbraw/zinc/60/45/55/886604555.db2.gz HUKPEVTXVKKAKC-MRXNPFEDSA-N 1 0 376.570 3.858 20 30 GHEDRO C[C@H](Sc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000532634515 886607892 /nfs/dbraw/zinc/60/78/92/886607892.db2.gz PVRYTNMIXBHBFG-KRWDZBQOSA-N 1 0 379.529 3.820 20 30 GHEDRO C=CCNc1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000131968093 886621932 /nfs/dbraw/zinc/62/19/32/886621932.db2.gz QRDBNCRADNZDJG-RBUKOAKNSA-N 1 0 396.560 3.868 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc(C)c(C#N)c1 ZINC000808826654 886828078 /nfs/dbraw/zinc/82/80/78/886828078.db2.gz PJNVMMIWGWHTGL-UHFFFAOYSA-N 1 0 393.487 3.926 20 30 GHEDRO COCO[C@H](C)c1cc(F)c(C=NNc2cc[nH+]cc2C)cc1Br ZINC000863157644 886895820 /nfs/dbraw/zinc/89/58/20/886895820.db2.gz DMGJAWWZFBTHHG-GFCCVEGCSA-N 1 0 396.260 3.841 20 30 GHEDRO Cc1cc(N(c2nc(Cl)c(Cl)c(C)c2C#N)C2CC[NH2+]CC2)nc(C)n1 ZINC001158387345 886909157 /nfs/dbraw/zinc/90/91/57/886909157.db2.gz CVPCHIMWVAVKRO-UHFFFAOYSA-N 1 0 391.306 3.865 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c(OC)c1 ZINC000863301520 887014923 /nfs/dbraw/zinc/01/49/23/887014923.db2.gz DZHIKUYNDDXLQI-MAUKXSAKSA-N 1 0 375.509 3.929 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CC1 ZINC000171722756 887061815 /nfs/dbraw/zinc/06/18/15/887061815.db2.gz BDSPRGDGRGRWTP-QFIPXVFZSA-N 1 0 390.483 3.521 20 30 GHEDRO C#CC[N@@H+](CCCn1ccnc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000762926274 887110737 /nfs/dbraw/zinc/11/07/37/887110737.db2.gz ORXCTDRTQURNRL-SFHVURJKSA-N 1 0 388.309 3.803 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153659909 887243622 /nfs/dbraw/zinc/24/36/22/887243622.db2.gz RHLDWZFZXJFQQE-WDJPJFJCSA-N 1 0 393.531 3.747 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000153703882 887354609 /nfs/dbraw/zinc/35/46/09/887354609.db2.gz IMRLEJCBWCPDJL-UHFFFAOYSA-N 1 0 391.475 3.885 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)CC1 ZINC000171730634 887365730 /nfs/dbraw/zinc/36/57/30/887365730.db2.gz UUNAOYSBTUCEDT-UHFFFAOYSA-N 1 0 397.519 3.570 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188747389 887425286 /nfs/dbraw/zinc/42/52/86/887425286.db2.gz IZNRBJWRGAWRIB-IBGZPJMESA-N 1 0 393.491 3.550 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000809632463 887633501 /nfs/dbraw/zinc/63/35/01/887633501.db2.gz QPEDMXRIXDYWAV-FQEVSTJZSA-N 1 0 386.417 3.968 20 30 GHEDRO C#CC[C@@]1(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000809738436 887771761 /nfs/dbraw/zinc/77/17/61/887771761.db2.gz XNHBEQKXRRGBOT-QHCPKHFHSA-N 1 0 399.535 3.788 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670233873 887791634 /nfs/dbraw/zinc/79/16/34/887791634.db2.gz KIRWNOKIUJCJGQ-HXUWFJFHSA-N 1 0 377.492 3.825 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)C(C)(C)C ZINC000809781404 887833008 /nfs/dbraw/zinc/83/30/08/887833008.db2.gz QPTWJQHXXQDKKZ-NRFANRHFSA-N 1 0 386.536 3.614 20 30 GHEDRO COc1cc(C)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052495680 887844599 /nfs/dbraw/zinc/84/45/99/887844599.db2.gz XTLIKDWJPUEARG-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cc4c(ccnc4Cl)o3)CC2)cc1 ZINC000864658673 887909289 /nfs/dbraw/zinc/90/92/89/887909289.db2.gz LTZBPQIWNRYWJU-UHFFFAOYSA-N 1 0 394.862 3.701 20 30 GHEDRO N#Cc1c(F)cncc1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170595295 888090674 /nfs/dbraw/zinc/09/06/74/888090674.db2.gz JPUYMNGKLRMFNP-FQEVSTJZSA-N 1 0 390.462 3.568 20 30 GHEDRO N#Cc1c[nH]c2cc(C(=O)N3CCC([N@@H+]4CCc5ccccc5C4)CC3)ccc12 ZINC000865036342 888151532 /nfs/dbraw/zinc/15/15/32/888151532.db2.gz WDKXOOSJVKSWAG-UHFFFAOYSA-N 1 0 384.483 3.702 20 30 GHEDRO Cc1ccnc(C#N)c1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170596209 888153143 /nfs/dbraw/zinc/15/31/43/888153143.db2.gz HNIHWFQXQNWSRP-JOCHJYFZSA-N 1 0 386.499 3.737 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC001184432340 913221940 /nfs/dbraw/zinc/22/19/40/913221940.db2.gz WTHVOGJSGMVZNX-SFHVURJKSA-N 1 0 397.519 3.734 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c(C(F)(F)F)c1 ZINC000810153297 888241800 /nfs/dbraw/zinc/24/18/00/888241800.db2.gz VALFSCQEUPLXJQ-UHFFFAOYSA-N 1 0 375.394 3.892 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1N1CCC(O)CC1 ZINC000810217384 888295115 /nfs/dbraw/zinc/29/51/15/888295115.db2.gz CLCDPHRHWWGSQY-OYHNWAKOSA-N 1 0 379.479 3.997 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3CCC[N@H+](CC4CCCCC4)CC3)o2)cc1 ZINC000173554705 888309006 /nfs/dbraw/zinc/30/90/06/888309006.db2.gz XOWBSESKIWATQA-UHFFFAOYSA-N 1 0 379.508 3.696 20 30 GHEDRO C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000111899694 888402204 /nfs/dbraw/zinc/40/22/04/888402204.db2.gz OCRSZDAYCWOBCP-JTSKRJEESA-N 1 0 376.504 3.565 20 30 GHEDRO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)c(Cl)c1 ZINC001132213248 888404651 /nfs/dbraw/zinc/40/46/51/888404651.db2.gz BTSXBTVLDWFBFK-IZZDOVSWSA-N 1 0 383.879 3.828 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)n1 ZINC000865544279 888429671 /nfs/dbraw/zinc/42/96/71/888429671.db2.gz NXZRIHYWAWLGNQ-UHFFFAOYSA-N 1 0 394.426 3.517 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000865655023 888500884 /nfs/dbraw/zinc/50/08/84/888500884.db2.gz YPGCQDLGLXQXTH-IBGZPJMESA-N 1 0 377.410 3.878 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000760280649 888683732 /nfs/dbraw/zinc/68/37/32/888683732.db2.gz CDYCQYYAVOTVJK-UHFFFAOYSA-N 1 0 398.507 3.679 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC)cc2F)no1 ZINC001211975238 888764031 /nfs/dbraw/zinc/76/40/31/888764031.db2.gz AFNURDKUVISMPW-KSSFIOAISA-N 1 0 377.460 3.962 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000454436951 889023433 /nfs/dbraw/zinc/02/34/33/889023433.db2.gz WGYVWWLNGLSGSG-UHFFFAOYSA-N 1 0 375.516 3.861 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](Cn3ccccc3=O)c3ccccc3)CC2)cc1 ZINC000287403357 913315150 /nfs/dbraw/zinc/31/51/50/913315150.db2.gz JFLKUSLYYHINAP-DEOSSOPVSA-N 1 0 398.510 3.720 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000454515086 889218044 /nfs/dbraw/zinc/21/80/44/889218044.db2.gz KDRUWIHOWZFQTL-MRXNPFEDSA-N 1 0 380.467 3.722 20 30 GHEDRO N#Cc1ccc([C@H](O)CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000763413186 889240870 /nfs/dbraw/zinc/24/08/70/889240870.db2.gz HSKZPTFBYHPPGJ-DNQXCXABSA-N 1 0 375.516 3.580 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CCc1ccc(Br)cc1 ZINC000532958583 889427636 /nfs/dbraw/zinc/42/76/36/889427636.db2.gz VVQCCTYAVAYUOK-UHFFFAOYSA-N 1 0 386.293 3.824 20 30 GHEDRO CCCc1c(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000811336744 889460251 /nfs/dbraw/zinc/46/02/51/889460251.db2.gz BUBRNMDQMPCZKM-QFIPXVFZSA-N 1 0 397.498 3.847 20 30 GHEDRO C[C@H](NC(=O)N(C)CCc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000868483571 889463059 /nfs/dbraw/zinc/46/30/59/889463059.db2.gz GCVKYMNRXHCISZ-WMZHIEFXSA-N 1 0 390.531 3.653 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1C ZINC000533053520 889633477 /nfs/dbraw/zinc/63/34/77/889633477.db2.gz MFHWGXTXPKKQGS-ONTIZHBOSA-N 1 0 396.579 3.887 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@H]1C(F)(F)F ZINC001168517163 889775721 /nfs/dbraw/zinc/77/57/21/889775721.db2.gz DNXIKFLOXWBCJD-BARDWOONSA-N 1 0 375.435 3.989 20 30 GHEDRO C=CCCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454809805 889804118 /nfs/dbraw/zinc/80/41/18/889804118.db2.gz KFLUAFKEBJEISE-OAQYLSRUSA-N 1 0 385.552 3.571 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)CC1 ZINC000811875951 890069720 /nfs/dbraw/zinc/06/97/20/890069720.db2.gz HXUNGPCRPXXQDC-GOSISDBHSA-N 1 0 398.551 3.604 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000533298143 890239599 /nfs/dbraw/zinc/23/95/99/890239599.db2.gz IDSBHPLWMLRWRR-DYBREXILSA-N 1 0 388.600 3.502 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)CC2CCC2)c1C#N ZINC000533304134 890253268 /nfs/dbraw/zinc/25/32/68/890253268.db2.gz GRFCUSYVMWXTMM-UHFFFAOYSA-N 1 0 382.483 3.834 20 30 GHEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000497190096 890283158 /nfs/dbraw/zinc/28/31/58/890283158.db2.gz CHCLYUWZCFSFPU-LJQANCHMSA-N 1 0 396.491 3.565 20 30 GHEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC000455103380 890304814 /nfs/dbraw/zinc/30/48/14/890304814.db2.gz UBZKKTRORVVWBO-UHFFFAOYSA-N 1 0 392.503 3.656 20 30 GHEDRO N#Cc1ccc(NC(=O)CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1Cl ZINC000533342564 890329021 /nfs/dbraw/zinc/32/90/21/890329021.db2.gz VAVVRLNJXYLQOB-UHFFFAOYSA-N 1 0 391.862 3.816 20 30 GHEDRO Cc1ccc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)c(C#N)n1 ZINC001170667398 890451872 /nfs/dbraw/zinc/45/18/72/890451872.db2.gz QQSQXUYYQGJWDI-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C[C@@H]2C1 ZINC000812332939 890549222 /nfs/dbraw/zinc/54/92/22/890549222.db2.gz GKOGGUAMWOKWPE-SJORKVTESA-N 1 0 379.435 3.513 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1C ZINC000533447603 890564014 /nfs/dbraw/zinc/56/40/14/890564014.db2.gz RWMOWHWWNMCADU-KURKYZTESA-N 1 0 388.581 3.681 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871095435 890643608 /nfs/dbraw/zinc/64/36/08/890643608.db2.gz UEFIEOSZBFWPEK-SCTDSRPQSA-N 1 0 399.514 3.664 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000812516115 890707512 /nfs/dbraw/zinc/70/75/12/890707512.db2.gz UAJBRJPRZLISFO-UHFFFAOYSA-N 1 0 391.393 3.578 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)s1 ZINC000917027007 890760320 /nfs/dbraw/zinc/76/03/20/890760320.db2.gz ZBGWOABMCISUQQ-UHFFFAOYSA-N 1 0 386.590 3.909 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCc3ccc(O)cc3C2)sc2c1CCCCC2 ZINC000533529710 890766114 /nfs/dbraw/zinc/76/61/14/890766114.db2.gz HVVNWZPKCUQTIQ-UHFFFAOYSA-N 1 0 395.528 3.981 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000455323884 890785366 /nfs/dbraw/zinc/78/53/66/890785366.db2.gz TUIFMAVOBIZEFV-FQEVSTJZSA-N 1 0 379.504 3.982 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000246264983 890886182 /nfs/dbraw/zinc/88/61/82/890886182.db2.gz PFXUCVRBJJKNLL-MSOLQXFVSA-N 1 0 386.565 3.580 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000066391868 890929424 /nfs/dbraw/zinc/92/94/24/890929424.db2.gz UTLFAJPOIOIQNQ-KRWDZBQOSA-N 1 0 376.928 3.567 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000812777550 890954342 /nfs/dbraw/zinc/95/43/42/890954342.db2.gz NXGPCGNWZRXLQQ-HSZRJFAPSA-N 1 0 380.488 3.911 20 30 GHEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 ZINC000812793192 890987487 /nfs/dbraw/zinc/98/74/87/890987487.db2.gz OHEMBDSCRCKWFF-BTYIYWSLSA-N 1 0 393.462 3.855 20 30 GHEDRO CCN(C(=O)Nc1cc(CC#N)ccn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000871725997 890993449 /nfs/dbraw/zinc/99/34/49/890993449.db2.gz DLDTUDXEIKSPAF-YLJYHZDGSA-N 1 0 377.492 3.837 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)cc1 ZINC000812906422 891090962 /nfs/dbraw/zinc/09/09/62/891090962.db2.gz CNPCRKIFPBDETO-DAWZGUTISA-N 1 0 397.416 3.605 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[C@@H](O)c1ccccc1 ZINC000795198620 891126083 /nfs/dbraw/zinc/12/60/83/891126083.db2.gz CHINFGGKQYJPLS-LJQANCHMSA-N 1 0 386.565 3.708 20 30 GHEDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000872032689 891127227 /nfs/dbraw/zinc/12/72/27/891127227.db2.gz XXYLLIAAAWBOTA-AWEZNQCLSA-N 1 0 397.504 3.903 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000812937392 891145919 /nfs/dbraw/zinc/14/59/19/891145919.db2.gz ZIPXETXFQPNDLC-GCJKJVERSA-N 1 0 379.479 3.806 20 30 GHEDRO C=CC[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccncc1 ZINC000888291351 891152207 /nfs/dbraw/zinc/15/22/07/891152207.db2.gz QZIRFQAGUYDKHE-YTFSRNRJSA-N 1 0 390.531 3.862 20 30 GHEDRO COc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(C)cc2)c(OC)c1 ZINC000127681283 891670105 /nfs/dbraw/zinc/67/01/05/891670105.db2.gz YXKVASJDSSITSI-UHFFFAOYSA-O 1 0 387.525 3.627 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C2)C1 ZINC000813653327 891840798 /nfs/dbraw/zinc/84/07/98/891840798.db2.gz BVFQZJIMTHCYRA-NRFANRHFSA-N 1 0 380.517 3.524 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000813786954 891974208 /nfs/dbraw/zinc/97/42/08/891974208.db2.gz UASWVCVEQKTOOC-HXUWFJFHSA-N 1 0 384.520 3.968 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)NC1(C#N)CCCCC1 ZINC000116604229 892000467 /nfs/dbraw/zinc/00/04/67/892000467.db2.gz HJKKXYMXUJBDNP-UHFFFAOYSA-N 1 0 380.492 3.549 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814175931 892330571 /nfs/dbraw/zinc/33/05/71/892330571.db2.gz MUUGSIHJFOHUGQ-YVWKXTFCSA-N 1 0 385.508 3.809 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814175927 892332196 /nfs/dbraw/zinc/33/21/96/892332196.db2.gz MUUGSIHJFOHUGQ-KPFFTGBYSA-N 1 0 385.508 3.809 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000125226229 892385685 /nfs/dbraw/zinc/38/56/85/892385685.db2.gz NDGPQSRZVXXHPB-XWRIVVANSA-N 1 0 383.879 3.692 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1cccc(C)c1 ZINC000154494513 892419055 /nfs/dbraw/zinc/41/90/55/892419055.db2.gz YXAFTUWGLXKPED-OAHLLOKOSA-O 1 0 384.525 3.568 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000154495942 892420971 /nfs/dbraw/zinc/42/09/71/892420971.db2.gz LHTRDBSKEFISKE-FXAWDEMLSA-N 1 0 396.984 3.676 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000814248680 892462347 /nfs/dbraw/zinc/46/23/47/892462347.db2.gz DWEFFJKSJMQGME-JKSUJKDBSA-N 1 0 392.459 3.583 20 30 GHEDRO C=CC[C@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1ccncc1 ZINC000875299513 892535198 /nfs/dbraw/zinc/53/51/98/892535198.db2.gz MPWDWZSHBQTHCX-NRFANRHFSA-N 1 0 378.520 3.662 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C1CC[NH+](C)CC1 ZINC001134266199 892544193 /nfs/dbraw/zinc/54/41/93/892544193.db2.gz NFBIRRWXYKEHSS-UHFFFAOYSA-N 1 0 384.426 3.927 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)N[C@@H](C)CC)cc1 ZINC000154526250 892571358 /nfs/dbraw/zinc/57/13/58/892571358.db2.gz DHBWFBFQZQFPSH-AWEZNQCLSA-O 1 0 386.497 3.772 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000875406939 892597854 /nfs/dbraw/zinc/59/78/54/892597854.db2.gz HFXWNHYBNUSOPN-IMRCBTMISA-N 1 0 382.430 3.581 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1C#N ZINC000154589195 892916910 /nfs/dbraw/zinc/91/69/10/892916910.db2.gz GCBUEEGSGIUNEE-UHFFFAOYSA-N 1 0 398.507 3.683 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000272879806 892932195 /nfs/dbraw/zinc/93/21/95/892932195.db2.gz QGMBNICQGRZDKX-HNNXBMFYSA-N 1 0 380.510 3.517 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N ZINC000814645984 893038831 /nfs/dbraw/zinc/03/88/31/893038831.db2.gz UEAPSBKWYSZVPL-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000814673999 893049196 /nfs/dbraw/zinc/04/91/96/893049196.db2.gz MXPQNELLCMKWNE-MOPGFXCFSA-N 1 0 384.524 3.812 20 30 GHEDRO N#CCc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000455705888 893059392 /nfs/dbraw/zinc/05/93/92/893059392.db2.gz PEJPOEPOFXHJMJ-UHFFFAOYSA-N 1 0 383.883 3.587 20 30 GHEDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000455708560 893066718 /nfs/dbraw/zinc/06/67/18/893066718.db2.gz UQDLCCKQEXBVFJ-UHFFFAOYSA-N 1 0 386.883 3.668 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508740283 893094917 /nfs/dbraw/zinc/09/49/17/893094917.db2.gz PHVMUALTTRGALB-UHFFFAOYSA-N 1 0 394.567 3.865 20 30 GHEDRO CCCC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000814727542 893103522 /nfs/dbraw/zinc/10/35/22/893103522.db2.gz QSMCMZLPQGYDKH-UHFFFAOYSA-N 1 0 395.576 3.715 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000562932121 893183575 /nfs/dbraw/zinc/18/35/75/893183575.db2.gz BDWMTIPTCZAMFX-NQIIRXRSSA-N 1 0 394.544 3.816 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)c1ccsc1 ZINC000455756132 893216900 /nfs/dbraw/zinc/21/69/00/893216900.db2.gz NHWRRVHTUINIME-MRXNPFEDSA-N 1 0 377.901 3.873 20 30 GHEDRO C[NH+]1CCC(OCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000933821986 893242924 /nfs/dbraw/zinc/24/29/24/893242924.db2.gz ZFYAKWTUIMAGLX-UHFFFAOYSA-N 1 0 383.423 3.539 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455772029 893248950 /nfs/dbraw/zinc/24/89/50/893248950.db2.gz OIBHJZQLFCHNFV-UHFFFAOYSA-N 1 0 384.480 3.924 20 30 GHEDRO C=CCNc1ncc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000129447677 893424460 /nfs/dbraw/zinc/42/44/60/893424460.db2.gz KMKUZJMPFIRIAY-GOSISDBHSA-N 1 0 384.549 3.725 20 30 GHEDRO C=CC1(CC(=O)Nc2cc(C[NH+](C)C)ccc2C)CN(C(=O)OC(C)(C)C)C1 ZINC000934169447 893427619 /nfs/dbraw/zinc/42/76/19/893427619.db2.gz PLSQNMIASWZJCO-UHFFFAOYSA-N 1 0 387.524 3.808 20 30 GHEDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1)c1ccccc1 ZINC000876999781 893428358 /nfs/dbraw/zinc/42/83/58/893428358.db2.gz YQIUEPCUAFHQCB-FQEVSTJZSA-N 1 0 396.922 3.881 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2nc3ccccc3nc2C)ccc1OC ZINC000877029552 893445562 /nfs/dbraw/zinc/44/55/62/893445562.db2.gz GYSTXJVASXHFCX-QGZVFWFLSA-N 1 0 376.460 3.918 20 30 GHEDRO C=CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674022 893509419 /nfs/dbraw/zinc/50/94/19/893509419.db2.gz KKKUKJQFFZWNLZ-KRWDZBQOSA-N 1 0 385.475 3.802 20 30 GHEDRO C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000877224924 893534809 /nfs/dbraw/zinc/53/48/09/893534809.db2.gz PGXWWDVQVSEXEJ-WMZOPIPTSA-N 1 0 385.405 3.789 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249033137 893629637 /nfs/dbraw/zinc/62/96/37/893629637.db2.gz MGQBUKLBWWKNJP-HNAYVOBHSA-N 1 0 394.357 3.547 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000877579365 893701409 /nfs/dbraw/zinc/70/14/09/893701409.db2.gz QCVOMEUIGNYBCZ-NEWSRXKRSA-N 1 0 379.545 3.711 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1C ZINC000459537339 893714714 /nfs/dbraw/zinc/71/47/14/893714714.db2.gz UBMFHJUOTQMOGJ-QFIPXVFZSA-N 1 0 385.552 3.717 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C1(CO)CCCC1 ZINC000459535740 893756174 /nfs/dbraw/zinc/75/61/74/893756174.db2.gz RSVJYERFGNVIEZ-HXUWFJFHSA-N 1 0 391.943 3.754 20 30 GHEDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000877694211 893767559 /nfs/dbraw/zinc/76/75/59/893767559.db2.gz DUFOFLLZLXCSAG-SFHVURJKSA-N 1 0 377.488 3.680 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](CC#N)c3ccccc3)c3cnccc32)CC1 ZINC001135005521 893792756 /nfs/dbraw/zinc/79/27/56/893792756.db2.gz YXAUNNXFGZIDNN-LJQANCHMSA-N 1 0 399.498 3.623 20 30 GHEDRO COc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1OCCCC#N ZINC000877762705 893800844 /nfs/dbraw/zinc/80/08/44/893800844.db2.gz OAOJYTJQHJALSQ-FQEVSTJZSA-N 1 0 392.503 3.757 20 30 GHEDRO COCCC1([NH2+]Cc2ccc(C#N)s2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000877768254 893805179 /nfs/dbraw/zinc/80/51/79/893805179.db2.gz ONAPRKUATIIRGQ-UHFFFAOYSA-N 1 0 379.526 3.516 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000877916019 893892074 /nfs/dbraw/zinc/89/20/74/893892074.db2.gz UXTNXXPAGVDWGK-DEOSSOPVSA-N 1 0 393.506 3.774 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000877921352 893896200 /nfs/dbraw/zinc/89/62/00/893896200.db2.gz JHZMBBWWFFORKS-DEOSSOPVSA-N 1 0 389.499 3.778 20 30 GHEDRO C[C@H](NCC#CCN[C@@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459635890 893945617 /nfs/dbraw/zinc/94/56/17/893945617.db2.gz UTYHRZZHCKBOLI-KBPBESRZSA-N 1 0 386.590 3.582 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878021478 893955050 /nfs/dbraw/zinc/95/50/50/893955050.db2.gz HKZLOFHZBYFTLK-AUSIDOKSSA-N 1 0 399.535 3.664 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000563626328 893989173 /nfs/dbraw/zinc/98/91/73/893989173.db2.gz XUUVNSWIUFVBKU-KRWDZBQOSA-N 1 0 393.457 3.527 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000459657686 893999664 /nfs/dbraw/zinc/99/96/64/893999664.db2.gz IHSXAQZWCDKHMD-SFHVURJKSA-N 1 0 394.313 3.573 20 30 GHEDRO N#CC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000934892100 894011898 /nfs/dbraw/zinc/01/18/98/894011898.db2.gz WURUNSRRIIHGOZ-VQTJNVASSA-N 1 0 383.561 3.536 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000878164828 894063733 /nfs/dbraw/zinc/06/37/33/894063733.db2.gz OZSCTDICTLGSQX-QHCPKHFHSA-N 1 0 399.535 3.758 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)cnc12 ZINC000563714080 894096649 /nfs/dbraw/zinc/09/66/49/894096649.db2.gz NZIGBUSXEYAXRG-QGZVFWFLSA-N 1 0 387.365 3.740 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(OC)cc2)cc1 ZINC000537027994 894235092 /nfs/dbraw/zinc/23/50/92/894235092.db2.gz ZMGQDWFUXSLQPS-QGZVFWFLSA-N 1 0 381.476 3.691 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000537040992 894254161 /nfs/dbraw/zinc/25/41/61/894254161.db2.gz HYWXCMYVGCPQPM-JOCHJYFZSA-N 1 0 379.460 3.645 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc(OC)c1OC ZINC000022682577 894275915 /nfs/dbraw/zinc/27/59/15/894275915.db2.gz CRHOBOXEJRFCBC-LJQANCHMSA-N 1 0 386.467 3.604 20 30 GHEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537097004 894306316 /nfs/dbraw/zinc/30/63/16/894306316.db2.gz VKNRFADHAXHCMP-QGZVFWFLSA-N 1 0 386.455 3.935 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000537104212 894314973 /nfs/dbraw/zinc/31/49/73/894314973.db2.gz MVCUHOFHEOQVHV-INIZCTEOSA-N 1 0 383.517 3.976 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1CCC(Oc2ccc(F)nc2)CC1)c1ccccc1 ZINC000878504191 894342867 /nfs/dbraw/zinc/34/28/67/894342867.db2.gz XOQBBOKTSTZHPI-JOCHJYFZSA-N 1 0 381.451 3.505 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000537124329 894348074 /nfs/dbraw/zinc/34/80/74/894348074.db2.gz LTNREOQEBHQBLX-VFCRVFHLSA-N 1 0 375.488 3.708 20 30 GHEDRO C=CCC(F)(F)C(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000815948708 894352668 /nfs/dbraw/zinc/35/26/68/894352668.db2.gz RMLYWOFWNRDSJD-IRXDYDNUSA-N 1 0 380.479 3.523 20 30 GHEDRO N#Cc1cc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cnc1C(F)(F)F ZINC000815993272 894376834 /nfs/dbraw/zinc/37/68/34/894376834.db2.gz MPRQMEZXXHORIB-UHFFFAOYSA-N 1 0 393.365 3.634 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878563498 894386871 /nfs/dbraw/zinc/38/68/71/894386871.db2.gz UWWWLZQUUGALRI-GOTSBHOMSA-N 1 0 399.535 3.664 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(CC)cc1 ZINC000022796207 894406539 /nfs/dbraw/zinc/40/65/39/894406539.db2.gz FOQZMCSLVFAFJY-UHFFFAOYSA-O 1 0 398.552 3.789 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000537158620 894439620 /nfs/dbraw/zinc/43/96/20/894439620.db2.gz JSMJTBOIIUOUMF-UHFFFAOYSA-N 1 0 387.405 3.862 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000564074945 894550439 /nfs/dbraw/zinc/55/04/39/894550439.db2.gz XXTWGLHSONZJBV-WMZHIEFXSA-N 1 0 390.531 3.701 20 30 GHEDRO C=CCc1cc(CNc2ccc(Cl)c(C[N@H+](C)CCO)c2)cc(OC)c1O ZINC000564115336 894611495 /nfs/dbraw/zinc/61/14/95/894611495.db2.gz MDCVNPLLMBJLJK-UHFFFAOYSA-N 1 0 390.911 3.819 20 30 GHEDRO C#CCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000878800777 894628461 /nfs/dbraw/zinc/62/84/61/894628461.db2.gz BKSKJJSKLMXAPZ-XUVXKRRUSA-N 1 0 378.557 3.964 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(OC)c3F)CC2)C1=O ZINC001275436896 913896118 /nfs/dbraw/zinc/89/61/18/913896118.db2.gz RIAWBMWVUXAKGL-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000878937835 894736836 /nfs/dbraw/zinc/73/68/36/894736836.db2.gz ZKGHUPWTGBVVFZ-UHFFFAOYSA-N 1 0 376.476 3.560 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000935730338 894762745 /nfs/dbraw/zinc/76/27/45/894762745.db2.gz SNUXQZIPRKMGKK-UHFFFAOYSA-N 1 0 392.503 3.597 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)nc1 ZINC000879023210 894788903 /nfs/dbraw/zinc/78/89/03/894788903.db2.gz JEHVDBJVWYQHRU-IBGZPJMESA-N 1 0 386.293 3.629 20 30 GHEDRO C[C@@H]1[C@H](OC(=O)Cc2cccc(OCC#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000816470400 894830401 /nfs/dbraw/zinc/83/04/01/894830401.db2.gz NCGMDYQTPUCGEA-XMSQKQJNSA-N 1 0 378.472 3.728 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1OCC ZINC000564307875 894845671 /nfs/dbraw/zinc/84/56/71/894845671.db2.gz XFPIFVJBSXRAPA-HZPDHXFCSA-N 1 0 384.314 3.758 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000564419804 894958981 /nfs/dbraw/zinc/95/89/81/894958981.db2.gz QIDBFBFPDNLUOM-QFIPXVFZSA-N 1 0 395.528 3.510 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000564813870 895262816 /nfs/dbraw/zinc/26/28/16/895262816.db2.gz YKTRLGOAUHNZKG-XZOQPEGZSA-N 1 0 388.515 3.888 20 30 GHEDRO Cc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000817020814 895264075 /nfs/dbraw/zinc/26/40/75/895264075.db2.gz IYQLJYDPIBRARN-QGZVFWFLSA-N 1 0 390.531 3.912 20 30 GHEDRO COc1ccc(CNC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccccc2)cc1 ZINC000023603025 895395093 /nfs/dbraw/zinc/39/50/93/895395093.db2.gz ZAFOHILTDSVMOC-UHFFFAOYSA-O 1 0 394.520 3.656 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(C)([NH+]3CCC3)CC2)c1C#N ZINC000880474331 895724394 /nfs/dbraw/zinc/72/43/94/895724394.db2.gz FRGBLNWEEWQFEY-UHFFFAOYSA-N 1 0 397.567 3.590 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000565757770 895856050 /nfs/dbraw/zinc/85/60/50/895856050.db2.gz PWEJNAYSOHNMJK-QKLQHJQFSA-N 1 0 378.524 3.564 20 30 GHEDRO C=CCOCc1nn([C@@H]2CCc3ccc(Br)cc3C2)c2c1C[NH2+]C2 ZINC001170880118 895928121 /nfs/dbraw/zinc/92/81/21/895928121.db2.gz SSLYWXCLPMLPPJ-MRXNPFEDSA-N 1 0 388.309 3.681 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000880930626 896008259 /nfs/dbraw/zinc/00/82/59/896008259.db2.gz WSAPJNYFIYARTQ-GUYCJALGSA-N 1 0 382.430 3.533 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880930412 896008777 /nfs/dbraw/zinc/00/87/77/896008777.db2.gz WAKNMGQDNVZAKT-GOSISDBHSA-N 1 0 396.457 3.925 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880932076 896009849 /nfs/dbraw/zinc/00/98/49/896009849.db2.gz LKMFKHLQZPKJRZ-SFHVURJKSA-N 1 0 396.457 3.925 20 30 GHEDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)cc1 ZINC000818220750 896085073 /nfs/dbraw/zinc/08/50/73/896085073.db2.gz JNPFZVJSFGDUBB-FQEVSTJZSA-N 1 0 390.531 3.652 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000566132316 896130509 /nfs/dbraw/zinc/13/05/09/896130509.db2.gz WEDIUUFUSCJJKJ-UHFFFAOYSA-N 1 0 398.894 3.915 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000881144784 896194844 /nfs/dbraw/zinc/19/48/44/896194844.db2.gz IUTWHOYFLHKHGY-UHFFFAOYSA-N 1 0 389.503 3.668 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000881150856 896201161 /nfs/dbraw/zinc/20/11/61/896201161.db2.gz IDVKPNJPYXSADU-FXAWDEMLSA-N 1 0 377.492 3.664 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000818978879 896298018 /nfs/dbraw/zinc/29/80/18/896298018.db2.gz AWYHABKYPHYOAS-JOCHJYFZSA-N 1 0 377.488 3.900 20 30 GHEDRO C=C[C@@H]1C[C@@]1(Nc1nccc2c1CC[N@H+](Cc1ccccc1)C2)C(=O)OCC ZINC001170920833 896376885 /nfs/dbraw/zinc/37/68/85/896376885.db2.gz AJRJQDBBGUXBPH-XXBNENTESA-N 1 0 377.488 3.560 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)c1 ZINC000819068182 896385119 /nfs/dbraw/zinc/38/51/19/896385119.db2.gz PESVVJXKTUTQNS-LEWJYISDSA-N 1 0 382.504 3.822 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000819068067 896385522 /nfs/dbraw/zinc/38/55/22/896385522.db2.gz OQWRHFZJMPDZAG-PQNGQFLHSA-N 1 0 394.515 3.912 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000881627841 896401724 /nfs/dbraw/zinc/40/17/24/896401724.db2.gz CQIUFCAANSBROE-UHFFFAOYSA-N 1 0 394.441 3.843 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566623916 896430391 /nfs/dbraw/zinc/43/03/91/896430391.db2.gz IFBZXRNISCUDRC-UHFFFAOYSA-N 1 0 383.377 3.847 20 30 GHEDRO CCC(CC)(C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000819234472 896525582 /nfs/dbraw/zinc/52/55/82/896525582.db2.gz HUIFJIGUDWYIGQ-HXUWFJFHSA-N 1 0 382.504 3.956 20 30 GHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819354984 896599615 /nfs/dbraw/zinc/59/96/15/896599615.db2.gz OBHPONQNIXDSCE-KRWDZBQOSA-N 1 0 388.512 3.582 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccccc3)CC2)cc1Cl ZINC000302981361 914140948 /nfs/dbraw/zinc/14/09/48/914140948.db2.gz PXPXNVVBBOINBT-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000567547862 897241008 /nfs/dbraw/zinc/24/10/08/897241008.db2.gz JKMIUMIRMIOJJB-LJQANCHMSA-N 1 0 388.519 3.545 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NCc2ccon2)cc1 ZINC000131108184 897322762 /nfs/dbraw/zinc/32/27/62/897322762.db2.gz FKWMQJCIYFFPQD-UHFFFAOYSA-O 1 0 394.520 3.870 20 30 GHEDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)CC1 ZINC000805749942 897370063 /nfs/dbraw/zinc/37/00/63/897370063.db2.gz CGEKHYZOTCLEIE-CYBMUJFWSA-N 1 0 394.313 3.667 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883225892 897385007 /nfs/dbraw/zinc/38/50/07/897385007.db2.gz OKROXVWHCAJISE-JBZVSFTFSA-N 1 0 377.550 3.518 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)CNc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(OC)c1 ZINC000567892627 897474032 /nfs/dbraw/zinc/47/40/32/897474032.db2.gz AJKQEYGGVWVHND-RBBKRZOGSA-N 1 0 396.531 3.824 20 30 GHEDRO C=CCC1(C(=O)OC[C@@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)CCOCC1 ZINC000820699487 897476846 /nfs/dbraw/zinc/47/68/46/897476846.db2.gz KJTMGCDSXVSKMO-FQEVSTJZSA-N 1 0 387.520 3.582 20 30 GHEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000883345450 897514758 /nfs/dbraw/zinc/51/47/58/897514758.db2.gz CGGFMFSDVVGNNW-XMSQKQJNSA-N 1 0 376.504 3.874 20 30 GHEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000883399200 897561519 /nfs/dbraw/zinc/56/15/19/897561519.db2.gz GTPQYVMQRZCBOB-TZMCWYRMSA-N 1 0 390.293 3.686 20 30 GHEDRO C[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000568138348 897627774 /nfs/dbraw/zinc/62/77/74/897627774.db2.gz CREVQWOCEOTPLR-INIZCTEOSA-N 1 0 397.469 3.796 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cnc4cccc(C)n34)CC2)C1 ZINC001137190790 897676299 /nfs/dbraw/zinc/67/62/99/897676299.db2.gz CBWFIZZHRZFUFC-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@@H]3CCCC3(F)F)CC2)c1 ZINC000883711835 897847092 /nfs/dbraw/zinc/84/70/92/897847092.db2.gz YJAPHORLHPYZEK-SFHVURJKSA-N 1 0 390.478 3.647 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(CN2c3cc(Cl)ccc3CC2=O)cc1 ZINC001136471498 897981430 /nfs/dbraw/zinc/98/14/30/897981430.db2.gz YEJZTQWEGUBVBP-UHFFFAOYSA-N 1 0 397.906 3.876 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000102000159 897986979 /nfs/dbraw/zinc/98/69/79/897986979.db2.gz VVQSILRPBXTYCX-PGRDOPGGSA-N 1 0 391.519 3.710 20 30 GHEDRO C[C@@H]([NH2+]CCOc1ccc(I)cc1)c1cccc(C#N)c1 ZINC000509512122 898117115 /nfs/dbraw/zinc/11/71/15/898117115.db2.gz PZYZWYXJRYLPLU-CYBMUJFWSA-N 1 0 392.240 3.892 20 30 GHEDRO Cc1nc(NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)ccc1C#N ZINC001185968427 914233248 /nfs/dbraw/zinc/23/32/48/914233248.db2.gz GYOPASPWGAHLHD-HDICACEKSA-N 1 0 378.520 3.883 20 30 GHEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000569013461 898274417 /nfs/dbraw/zinc/27/44/17/898274417.db2.gz AYEQVCHLAFOPOF-MRXNPFEDSA-N 1 0 390.959 3.663 20 30 GHEDRO CC[NH+]1CCC(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000043292610 898411735 /nfs/dbraw/zinc/41/17/35/898411735.db2.gz FOJKKAPHWWIOTO-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCCO)CC(C)(C)C ZINC000109747513 898583419 /nfs/dbraw/zinc/58/34/19/898583419.db2.gz APSRWOIFMNKJGZ-INIZCTEOSA-N 1 0 377.554 3.750 20 30 GHEDRO CCOc1ccc(-c2nc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)sc2C)cc1 ZINC000884048943 898653998 /nfs/dbraw/zinc/65/39/98/898653998.db2.gz AMWGLNYHSMOQQY-TZQQIIETSA-N 1 0 396.516 3.595 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110263734 898682734 /nfs/dbraw/zinc/68/27/34/898682734.db2.gz DVAOAWQAWUJRQI-UHFFFAOYSA-N 1 0 395.528 3.627 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc(C3CCCC3)nn1-c1ccccc1)C2 ZINC000884054741 898689456 /nfs/dbraw/zinc/68/94/56/898689456.db2.gz PJAFMWGSMFOFSV-FRIYVGAWSA-N 1 0 389.503 3.608 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000111303985 898795987 /nfs/dbraw/zinc/79/59/87/898795987.db2.gz AKPDCGBTSQHBCA-MRXNPFEDSA-N 1 0 375.538 3.646 20 30 GHEDRO C#C[C@H](NC(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000823186048 898875877 /nfs/dbraw/zinc/87/58/77/898875877.db2.gz IALDMJKPSHSPCD-PKTZIBPZSA-N 1 0 397.563 3.501 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000331421922 898877816 /nfs/dbraw/zinc/87/78/16/898877816.db2.gz LSLJJBRXSMZJIO-FYZZASKESA-N 1 0 383.536 3.658 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331533152 898963488 /nfs/dbraw/zinc/96/34/88/898963488.db2.gz FKGCIWLWFPANSW-CJUDFOOJSA-N 1 0 389.927 3.800 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884131315 899015055 /nfs/dbraw/zinc/01/50/55/899015055.db2.gz IIUWDGUFOCQGKY-GURMERHDSA-N 1 0 394.544 3.744 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000331988999 899322898 /nfs/dbraw/zinc/32/28/98/899322898.db2.gz UQUXVIACSYWZCS-VLIAUNLRSA-N 1 0 375.538 3.574 20 30 GHEDRO COc1ccc(CCC(=O)N2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000118396218 899438781 /nfs/dbraw/zinc/43/87/81/899438781.db2.gz MANSKVLXBGKHRP-LJQANCHMSA-N 1 0 391.515 3.795 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000571076953 899734047 /nfs/dbraw/zinc/73/40/47/899734047.db2.gz ZUWMSUSMVFQSQD-VXKWHMMOSA-N 1 0 380.463 3.857 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1(c3ccc(F)cc3Cl)CCCC1)C2 ZINC000884333354 899825340 /nfs/dbraw/zinc/82/53/40/899825340.db2.gz LKRKWOHCTNSPAW-FAGJFJLWSA-N 1 0 389.902 3.546 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001171078313 900045984 /nfs/dbraw/zinc/04/59/84/900045984.db2.gz MARACBQNHKFTLY-QVKFZJNVSA-N 1 0 377.479 3.662 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001171078311 900046029 /nfs/dbraw/zinc/04/60/29/900046029.db2.gz MARACBQNHKFTLY-BTYIYWSLSA-N 1 0 377.479 3.662 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)on2)c1 ZINC000572089648 900065054 /nfs/dbraw/zinc/06/50/54/900065054.db2.gz RVFSWELDUQGKJJ-HXUWFJFHSA-N 1 0 386.455 3.608 20 30 GHEDRO CCN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000884417667 900069342 /nfs/dbraw/zinc/06/93/42/900069342.db2.gz NQPRVTJHORBSQP-NMDZEQAHSA-N 1 0 393.453 3.624 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000135289819 900216736 /nfs/dbraw/zinc/21/67/36/900216736.db2.gz VZLLXLWEBNGDGV-UHFFFAOYSA-N 1 0 388.487 3.848 20 30 GHEDRO C=CC[C@]1(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000843842820 900241205 /nfs/dbraw/zinc/24/12/05/900241205.db2.gz VEJVPMBRMUDLJF-VGOFRKELSA-N 1 0 393.572 3.521 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000572764450 900272375 /nfs/dbraw/zinc/27/23/75/900272375.db2.gz VZLFEXFNXZCKPL-UHFFFAOYSA-N 1 0 387.531 3.831 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000572890216 900300162 /nfs/dbraw/zinc/30/01/62/900300162.db2.gz SSPCFUBFVRSEQX-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO CCn1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c2sc(C#N)cc2c1=O ZINC001171097869 900453390 /nfs/dbraw/zinc/45/33/90/900453390.db2.gz DPNZAQIDIUWFPL-CYBMUJFWSA-N 1 0 388.496 3.714 20 30 GHEDRO C=C[C@H](CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccccc1 ZINC000844165217 900560725 /nfs/dbraw/zinc/56/07/25/900560725.db2.gz UYOBZCBPMHHAJS-QGZVFWFLSA-N 1 0 378.472 3.894 20 30 GHEDRO N#CCNC(=O)c1ccc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)cc1 ZINC000844226039 900590786 /nfs/dbraw/zinc/59/07/86/900590786.db2.gz ARJDIRKRMCLCCU-UHFFFAOYSA-N 1 0 377.488 3.862 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3sccc3Br)CC2)C1=O ZINC001275516412 914462935 /nfs/dbraw/zinc/46/29/35/914462935.db2.gz YMWWGOONNCQWLY-QGZVFWFLSA-N 1 0 383.355 3.901 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844308805 900665569 /nfs/dbraw/zinc/66/55/69/900665569.db2.gz BGNIIQAPSWCDOV-GDBMZVCRSA-N 1 0 388.468 3.592 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573969229 900726059 /nfs/dbraw/zinc/72/60/59/900726059.db2.gz JBNKJIFBZGQUBK-UGKGYDQZSA-N 1 0 391.515 3.744 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000844323243 900727856 /nfs/dbraw/zinc/72/78/56/900727856.db2.gz FJDATGPPIYIKTG-KRWDZBQOSA-N 1 0 388.468 3.640 20 30 GHEDRO C=CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000574227035 900823861 /nfs/dbraw/zinc/82/38/61/900823861.db2.gz WAQKEUKWDSDXNU-UHFFFAOYSA-N 1 0 382.529 3.730 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056159859 900870697 /nfs/dbraw/zinc/87/06/97/900870697.db2.gz UAMNQLWEEHAKHS-GJZGRUSLSA-N 1 0 391.475 3.520 20 30 GHEDRO C#CCC1([NH2+]Cc2cn(-c3ccccc3Br)nc2C)CCOCC1 ZINC000886379389 900967381 /nfs/dbraw/zinc/96/73/81/900967381.db2.gz ZQBBYLLVTUVTQZ-UHFFFAOYSA-N 1 0 388.309 3.605 20 30 GHEDRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(Cl)cc3CC#N)CC2)CC1 ZINC000574767532 901005215 /nfs/dbraw/zinc/00/52/15/901005215.db2.gz DMZRVKWABAZLHO-UHFFFAOYSA-N 1 0 388.943 3.541 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001144075909 901040798 /nfs/dbraw/zinc/04/07/98/901040798.db2.gz UYTPXKYCVMVCLQ-WOJBJXKFSA-N 1 0 384.524 3.812 20 30 GHEDRO C=CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)cc1OC ZINC000575095405 901119123 /nfs/dbraw/zinc/11/91/23/901119123.db2.gz IHQWDHLWZJCSDF-NTKDMRAZSA-N 1 0 397.515 3.802 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[C@H](n3cc(Cl)cn3)C2)c2ccccc21 ZINC000290073722 914508746 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GHEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc4ccccc4nc3NC(=O)CC#N)c2c1 ZINC001171164009 901834840 /nfs/dbraw/zinc/83/48/40/901834840.db2.gz FRQMOTOFNVDMPE-HNNXBMFYSA-N 1 0 398.470 3.624 20 30 GHEDRO N#Cc1nc(C2CC2)oc1N1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000047461903 902028682 /nfs/dbraw/zinc/02/86/82/902028682.db2.gz JNVSEYXNFBNIDA-UHFFFAOYSA-N 1 0 393.878 3.947 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](CCc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001275533746 914601495 /nfs/dbraw/zinc/60/14/95/914601495.db2.gz ZUNJSGXAXZTLNX-LJQANCHMSA-N 1 0 397.350 3.607 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000576853410 902304300 /nfs/dbraw/zinc/30/43/00/902304300.db2.gz WVMSPPDRQIIKJE-UHFFFAOYSA-N 1 0 399.583 3.603 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(OCC#N)c1 ZINC000126731172 902359204 /nfs/dbraw/zinc/35/92/04/902359204.db2.gz WKHQUHPNZNSCJJ-JOCHJYFZSA-N 1 0 391.515 3.502 20 30 GHEDRO Cc1cc2c(cc1C)N(C(=O)NC1CC[NH+](Cc3cccc(C#N)c3)CC1)CC2 ZINC000845746500 902363214 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CC[N@H+](Cc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1)C(C)C ZINC000846340131 902902954 /nfs/dbraw/zinc/90/29/54/902902954.db2.gz GWNAJBMGMUUQGL-QFIPXVFZSA-N 1 0 379.504 3.594 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000600843692 902992375 /nfs/dbraw/zinc/99/23/75/902992375.db2.gz NXXYVRVNTYLGCD-UHFFFAOYSA-N 1 0 379.504 3.847 20 30 GHEDRO COc1ccc(C#N)cc1CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000772940854 903048738 /nfs/dbraw/zinc/04/87/38/903048738.db2.gz XMQQPLQCCFJVFP-UHFFFAOYSA-N 1 0 378.476 3.600 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(COCCOCCCC)c2)CC1 ZINC000264391326 903062692 /nfs/dbraw/zinc/06/26/92/903062692.db2.gz AZNUMVLSSPMLSY-UHFFFAOYSA-N 1 0 389.540 3.792 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)CC1 ZINC000601004949 903215732 /nfs/dbraw/zinc/21/57/32/903215732.db2.gz GGIOFCFSDIXEMO-XMMPIXPASA-N 1 0 389.543 3.947 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC000846921644 903304993 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CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C#N)s2)C[C@@H]1C(C)(C)C ZINC001171593057 904819658 /nfs/dbraw/zinc/81/96/58/904819658.db2.gz IOKHILPHLXKAEO-UKRRQHHQSA-N 1 0 378.542 3.919 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC001171626467 904890230 /nfs/dbraw/zinc/89/02/30/904890230.db2.gz PSZBUZLJJXCEIF-OAHLLOKOSA-N 1 0 375.463 3.560 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1C[C@H](C)N(Cc3ccccc3)C1)C2 ZINC001171751000 904979079 /nfs/dbraw/zinc/97/90/79/904979079.db2.gz MWRROYGWPVJAJR-BGWNEDDSSA-N 1 0 381.564 3.683 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(-c2ccccc2)n1 ZINC000290895727 914860516 /nfs/dbraw/zinc/86/05/16/914860516.db2.gz LRBNVGBFUYBCAR-UNMCSNQZSA-N 1 0 376.504 3.997 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN([C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001171754981 904988161 /nfs/dbraw/zinc/98/81/61/904988161.db2.gz KYTAKHPVIFNAPW-CAUSLRQDSA-N 1 0 384.564 3.723 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(-c2ccccc2)n1 ZINC000290895721 914861101 /nfs/dbraw/zinc/86/11/01/914861101.db2.gz LRBNVGBFUYBCAR-RBBKRZOGSA-N 1 0 376.504 3.997 20 30 GHEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876874 905080460 /nfs/dbraw/zinc/08/04/60/905080460.db2.gz IXXNKWWZUCMLLG-OAQYLSRUSA-N 1 0 386.499 3.882 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000173809438 905132245 /nfs/dbraw/zinc/13/22/45/905132245.db2.gz ZSXZHODUOCIJFX-SFHVURJKSA-N 1 0 381.476 3.534 20 30 GHEDRO Cc1cc(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)n(-c2ccccc2F)n1 ZINC001171911064 905141268 /nfs/dbraw/zinc/14/12/68/905141268.db2.gz FKFDPYZJRXNJQP-UHFFFAOYSA-N 1 0 391.450 3.655 20 30 GHEDRO CC(C)C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1)C(=O)NO ZINC001172054664 905254704 /nfs/dbraw/zinc/25/47/04/905254704.db2.gz YZTZCNTVEMQVNN-SJORKVTESA-N 1 0 397.560 3.599 20 30 GHEDRO C=C(C)C(=O)OCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172047847 905267722 /nfs/dbraw/zinc/26/77/22/905267722.db2.gz CFFMNXCELVWAIX-KRWDZBQOSA-N 1 0 380.529 3.798 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C2 ZINC001172094569 905317989 /nfs/dbraw/zinc/31/79/89/905317989.db2.gz LQGPJDKOFOVTJH-REPLKXPHSA-N 1 0 385.508 3.847 20 30 GHEDRO C=CCC[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000627004373 905364820 /nfs/dbraw/zinc/36/48/20/905364820.db2.gz LGMTXSNEZSYETN-MRXNPFEDSA-N 1 0 385.430 3.520 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001172307673 905462961 /nfs/dbraw/zinc/46/29/61/905462961.db2.gz IOFMATPPWUWVQL-XMSQKQJNSA-N 1 0 379.548 3.898 20 30 GHEDRO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)[C@@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172308464 905465436 /nfs/dbraw/zinc/46/54/36/905465436.db2.gz YEUNQZSIDOKTLQ-KRWDZBQOSA-N 1 0 390.535 3.758 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)CC1 ZINC001172308756 905465691 /nfs/dbraw/zinc/46/56/91/905465691.db2.gz MWVANIODSOMGFI-IBGZPJMESA-N 1 0 381.520 3.990 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C1COC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172319274 905470901 /nfs/dbraw/zinc/47/09/01/905470901.db2.gz LXXWCZGEJISJHM-KRWDZBQOSA-N 1 0 399.535 3.590 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(I)cc1 ZINC001172294648 905482887 /nfs/dbraw/zinc/48/28/87/905482887.db2.gz JUEALNJLOLGWLR-CYBMUJFWSA-N 1 0 376.241 3.884 20 30 GHEDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@@H](C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC001172298597 905484119 /nfs/dbraw/zinc/48/41/19/905484119.db2.gz YXABDPUUBWWMNQ-PDYGVTHMSA-N 1 0 390.531 3.744 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801578811 921152646 /nfs/dbraw/zinc/15/26/46/921152646.db2.gz GCFIGSODPZSOTI-AUSIDOKSSA-N 1 0 398.572 3.677 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001172356196 905526680 /nfs/dbraw/zinc/52/66/80/905526680.db2.gz VETQCFZKCQCOER-NHCUHLMSSA-N 1 0 394.600 3.855 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC001172487969 905596104 /nfs/dbraw/zinc/59/61/04/905596104.db2.gz JTTIRBKLUMNDJN-CQSZACIVSA-N 1 0 378.314 3.726 20 30 GHEDRO C[C@H](CCCC#N)N(c1cc(-c2ccc(C[NH3+])cc2)nn(C)c1=O)C(C)(C)C ZINC001172492897 905596382 /nfs/dbraw/zinc/59/63/82/905596382.db2.gz VGDHVYNBSKOTEL-MRXNPFEDSA-N 1 0 381.524 3.593 20 30 GHEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001172501216 905599425 /nfs/dbraw/zinc/59/94/25/905599425.db2.gz ARJPXJWMUYMDIQ-HXUWFJFHSA-N 1 0 395.613 3.935 20 30 GHEDRO C#CC1([NH2+][C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2)CC1 ZINC001172685136 905737275 /nfs/dbraw/zinc/73/72/75/905737275.db2.gz UJFRVMMMCCYOFC-HXUWFJFHSA-N 1 0 394.540 3.651 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908262 905935583 /nfs/dbraw/zinc/93/55/83/905935583.db2.gz LNKHNEDSPZCVJH-FQEVSTJZSA-N 1 0 376.460 3.536 20 30 GHEDRO C[C@H](CSc1ccc(Cl)cc1)NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001172881278 905969528 /nfs/dbraw/zinc/96/95/28/905969528.db2.gz ZQNAECFXICDBOL-GFCCVEGCSA-N 1 0 382.938 3.630 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C[C@H]1C#N ZINC001172968033 906029032 /nfs/dbraw/zinc/02/90/32/906029032.db2.gz HCFVKHUNNYYUME-OKZBNKHCSA-N 1 0 393.915 3.645 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1Cl ZINC001172970633 906032639 /nfs/dbraw/zinc/03/26/39/906032639.db2.gz IJCYEBGISLZTRI-GJZGRUSLSA-N 1 0 379.888 3.730 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C[C@H]1C#N ZINC001172972534 906037857 /nfs/dbraw/zinc/03/78/57/906037857.db2.gz ACJBDQZRRQDYCA-YCPHGPKFSA-N 1 0 377.872 3.655 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ncco3)cc2)C[C@H]1C#N ZINC001172975103 906041226 /nfs/dbraw/zinc/04/12/26/906041226.db2.gz BALDTXIXYVSQHS-MSOLQXFVSA-N 1 0 382.464 3.723 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2c3ccccc3c3c2C[C@H]([NH3+])C3)C[C@H]1C#N ZINC001172976343 906042492 /nfs/dbraw/zinc/04/24/92/906042492.db2.gz OJMMOWYMADALCY-PMPSAXMXSA-N 1 0 380.492 3.531 20 30 GHEDRO COc1cccc(OC)c1[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977338 906043038 /nfs/dbraw/zinc/04/30/38/906043038.db2.gz BFBNPSYFDSXKOC-XHSDSOJGSA-N 1 0 389.496 3.646 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCCCCCCCCO)C[C@H]1C#N ZINC001172977478 906044048 /nfs/dbraw/zinc/04/40/48/906044048.db2.gz BRLHORNOGNTZQE-OALUTQOASA-N 1 0 381.561 3.981 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2COc3cc(Cl)ccc32)C[C@H]1C#N ZINC001172978864 906045938 /nfs/dbraw/zinc/04/59/38/906045938.db2.gz TVXRMAOAFNLHMS-IJEWVQPXSA-N 1 0 377.872 3.655 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(CCC(C)(C)O3)CC2)C[C@H]1C#N ZINC001172989765 906054094 /nfs/dbraw/zinc/05/40/94/906054094.db2.gz ITVUASPVGQHZFZ-IRXDYDNUSA-N 1 0 377.529 3.702 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(COc4ccccc43)CC2)C[C@H]1C#N ZINC001172990983 906101114 /nfs/dbraw/zinc/10/11/14/906101114.db2.gz TVTHNCHRMOBRQQ-MSOLQXFVSA-N 1 0 397.519 3.704 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)cc1 ZINC000177797023 906218444 /nfs/dbraw/zinc/21/84/44/906218444.db2.gz RONVHDKGABOLCL-RTWAWAEBSA-N 1 0 396.535 3.591 20 30 GHEDRO CC[NH+](CC)CCn1cc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)cn1 ZINC001203254035 906269853 /nfs/dbraw/zinc/26/98/53/906269853.db2.gz YYIWZLISGVADCX-UHFFFAOYSA-N 1 0 383.887 3.679 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+](C1CCC(Oc3ccccc3)CC1)CC2 ZINC001173200971 906285094 /nfs/dbraw/zinc/28/50/94/906285094.db2.gz SWGQIIWTYAXPSC-UHFFFAOYSA-N 1 0 381.520 3.871 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)CC1 ZINC001173320735 906369736 /nfs/dbraw/zinc/36/97/36/906369736.db2.gz DEHJOWGAMCWNPC-UHFFFAOYSA-N 1 0 378.520 3.813 20 30 GHEDRO Cc1cccc(Cn2c(=O)ccc3c2CC[C@H]([NH2+]C2CCC(CC#N)CC2)C3)n1 ZINC001173325122 906373771 /nfs/dbraw/zinc/37/37/71/906373771.db2.gz CYZKSEVZHULMJN-MNLRITNHSA-N 1 0 390.531 3.519 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](C1CCC(CC#N)CC1)CCO2 ZINC001173330826 906374921 /nfs/dbraw/zinc/37/49/21/906374921.db2.gz FPGOROUPZYYRDL-UHFFFAOYSA-N 1 0 377.529 3.561 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CC1 ZINC001173334169 906377509 /nfs/dbraw/zinc/37/75/09/906377509.db2.gz VOAKULDGMNAGPV-BVPCWRRESA-N 1 0 387.549 3.574 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)CC1 ZINC001173320055 906391358 /nfs/dbraw/zinc/39/13/58/906391358.db2.gz GINKZQWQNMKSAL-FDTLVRFQSA-N 1 0 393.568 3.565 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001173375971 906404991 /nfs/dbraw/zinc/40/49/91/906404991.db2.gz BAIYWWIPGNWGMA-NCXUSEDFSA-N 1 0 391.552 3.800 20 30 GHEDRO Cc1c(CC[NH3+])c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421994 906456189 /nfs/dbraw/zinc/45/61/89/906456189.db2.gz IXNJODDSXPQSMC-UHFFFAOYSA-N 1 0 386.499 3.800 20 30 GHEDRO CC(C)C[C@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccn1 ZINC001173425377 906461855 /nfs/dbraw/zinc/46/18/55/906461855.db2.gz SMXXBFIIFPPMBB-QFIPXVFZSA-N 1 0 376.504 3.935 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CC3(Cc4ccccc4F)CC3)CC2)cc1 ZINC001173426638 906463588 /nfs/dbraw/zinc/46/35/88/906463588.db2.gz CYLSLPMRNUHEJW-UHFFFAOYSA-N 1 0 391.490 3.914 20 30 GHEDRO Cc1cccc(Cl)c1C(=[NH2+])NC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429180 906464961 /nfs/dbraw/zinc/46/49/61/906464961.db2.gz RWQAFTGENRBLBA-UHFFFAOYSA-N 1 0 380.879 3.740 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](C1Cc3cc(F)c(F)cc3C1)CC2 ZINC001173477636 906476594 /nfs/dbraw/zinc/47/65/94/906476594.db2.gz CNTKJDVZSGXLAN-UHFFFAOYSA-N 1 0 399.485 3.799 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)CCCCC(=O)OC)C[C@@H]2c2ccccc2)C1=O ZINC001173451473 906491357 /nfs/dbraw/zinc/49/13/57/906491357.db2.gz KDGSYRQOYQMVLS-ZYKOEDHHSA-N 1 0 398.547 3.612 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H](C[NH2+]C3CCC(C)(C#N)CC3)CO2)C1 ZINC001173586804 906545224 /nfs/dbraw/zinc/54/52/24/906545224.db2.gz HIUBQKSGWXURKK-KDFVNGPGSA-N 1 0 391.556 3.855 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)CC1 ZINC001173596080 906550683 /nfs/dbraw/zinc/55/06/83/906550683.db2.gz IZKSCYSTZBVVSO-KRLBEQFCSA-N 1 0 383.536 3.942 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](CC(=O)OCC)C1)[C@@H]2CC ZINC001173637331 906589061 /nfs/dbraw/zinc/58/90/61/906589061.db2.gz AXFWIQSLLHURJJ-JYLXEMOASA-N 1 0 376.541 3.530 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)[NH+]2CCCC2)o1 ZINC000180039117 906673159 /nfs/dbraw/zinc/67/31/59/906673159.db2.gz MGYHBNWXQNPMIL-WMZOPIPTSA-N 1 0 382.464 3.838 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)[NH+]2CCCC2)o1 ZINC000180039148 906673625 /nfs/dbraw/zinc/67/36/25/906673625.db2.gz MGYHBNWXQNPMIL-AEFFLSMTSA-N 1 0 382.464 3.838 20 30 GHEDRO CC(C)[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(C(F)(F)F)c1 ZINC000180177570 906707729 /nfs/dbraw/zinc/70/77/29/906707729.db2.gz HTNAYKDVLPZWKD-QCPHZMBFSA-N 1 0 381.398 3.519 20 30 GHEDRO CC(C)(O)C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000180224708 906720994 /nfs/dbraw/zinc/72/09/94/906720994.db2.gz KEOJGSOIZGBCRF-UHFFFAOYSA-N 1 0 383.517 3.514 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180322168 906747642 /nfs/dbraw/zinc/74/76/42/906747642.db2.gz QFWRVMNLJHSDKL-UHFFFAOYSA-N 1 0 377.448 3.662 20 30 GHEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000180621818 906802374 /nfs/dbraw/zinc/80/23/74/906802374.db2.gz RUNXAZYWTURNMJ-KRWDZBQOSA-N 1 0 392.425 3.989 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(S(=O)(=O)CC)cc2)ccc1OC ZINC000181023641 906899999 /nfs/dbraw/zinc/89/99/99/906899999.db2.gz XCHUWIQBZDMZFZ-UHFFFAOYSA-N 1 0 389.517 3.734 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC000182155516 907147605 /nfs/dbraw/zinc/14/76/05/907147605.db2.gz DRNDMQPIVWONHD-DHIUTWEWSA-N 1 0 397.469 3.921 20 30 GHEDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000191714108 907171148 /nfs/dbraw/zinc/17/11/48/907171148.db2.gz TZLRTWNMBNSVMC-MHECFPHRSA-N 1 0 388.515 3.678 20 30 GHEDRO C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ncc(-c2ccccc2)o1 ZINC000299426506 921309095 /nfs/dbraw/zinc/30/90/95/921309095.db2.gz UXCPWHNUPVIDOE-XJKSGUPXSA-N 1 0 378.457 3.731 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000184546464 907605252 /nfs/dbraw/zinc/60/52/52/907605252.db2.gz DUQDQWQZUUAZGM-INIZCTEOSA-N 1 0 395.532 3.734 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3ccc(C#N)nc3Br)cc2)CC1 ZINC001175779634 907740085 /nfs/dbraw/zinc/74/00/85/907740085.db2.gz MRUUQDQOKCYRDJ-UHFFFAOYSA-N 1 0 386.297 3.601 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(OCC#N)cc2)C2(CCC2)CC1 ZINC001175790816 907748658 /nfs/dbraw/zinc/74/86/58/907748658.db2.gz SSJBVFNXPKDJNG-UHFFFAOYSA-N 1 0 385.508 3.954 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2C#N)cc1 ZINC001175811045 907767440 /nfs/dbraw/zinc/76/74/40/907767440.db2.gz CFDOGOWYOFCCLH-UHFFFAOYSA-N 1 0 376.382 3.612 20 30 GHEDRO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001176122449 907949203 /nfs/dbraw/zinc/94/92/03/907949203.db2.gz YIIJXSIDPJJHQX-IEBWSBKVSA-N 1 0 387.524 3.810 20 30 GHEDRO N#Cc1cc(N)c(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1C(F)(F)F ZINC001176384993 908062713 /nfs/dbraw/zinc/06/27/13/908062713.db2.gz ZFRGJSYIMUKODN-UHFFFAOYSA-N 1 0 390.409 3.778 20 30 GHEDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCCOc2cccc(C#N)c2)n1C ZINC001176946243 908322857 /nfs/dbraw/zinc/32/28/57/908322857.db2.gz OXXXMKJZXBHRKD-FQEVSTJZSA-N 1 0 381.476 3.679 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(OCC#N)cc1 ZINC000189814878 908378312 /nfs/dbraw/zinc/37/83/12/908378312.db2.gz BUFXBXLIOLVSQF-YCRPNKLZSA-N 1 0 399.441 3.709 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000773630991 908487677 /nfs/dbraw/zinc/48/76/77/908487677.db2.gz PYYJJBFVVUYFTQ-UHFFFAOYSA-N 1 0 385.508 3.812 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000190610159 908506694 /nfs/dbraw/zinc/50/66/94/908506694.db2.gz OFDWXWUZHSFNSD-AUUYWEPGSA-N 1 0 385.414 3.611 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC001177951028 908835194 /nfs/dbraw/zinc/83/51/94/908835194.db2.gz YWGBEVDBRMRCHW-OAQYLSRUSA-N 1 0 379.895 3.853 20 30 GHEDRO COC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000194168624 908862519 /nfs/dbraw/zinc/86/25/19/908862519.db2.gz ITKQFPOFISKEMW-VQTJNVASSA-N 1 0 383.879 3.684 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC001178209554 908941954 /nfs/dbraw/zinc/94/19/54/908941954.db2.gz WOOFWAKSPNHOEI-ZIAGYGMSSA-N 1 0 377.428 3.693 20 30 GHEDRO C#CCCC[NH2+]Cc1cc(I)c(Br)cc1F ZINC001178640499 909132080 /nfs/dbraw/zinc/13/20/80/909132080.db2.gz WANVHBGEGYRUSV-UHFFFAOYSA-N 1 0 396.041 3.696 20 30 GHEDRO N#CCCCN1C(=O)[C@@]2(CC[N@@H+](Cc3scnc3Cl)C2)c2ccccc21 ZINC001276025224 921472132 /nfs/dbraw/zinc/47/21/32/921472132.db2.gz MHLPTZHPJSAEBH-LJQANCHMSA-N 1 0 386.908 3.591 20 30 GHEDRO C#CCN1c2ccccc2[C@@]2(CCN(Cc3sc(Cl)nc3Cl)C2)C1=O ZINC001276028235 921493151 /nfs/dbraw/zinc/49/31/51/921493151.db2.gz BXDUMWNKIZIHKZ-SFHVURJKSA-N 1 0 392.311 3.573 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000267307356 909445471 /nfs/dbraw/zinc/44/54/71/909445471.db2.gz BNLOVGMOUDXPGU-AVRDEDQJSA-N 1 0 376.504 3.610 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)N[C@H](C)CC)cc1 ZINC000299612182 921508980 /nfs/dbraw/zinc/50/89/80/921508980.db2.gz PGVCOIUQPQEFIH-OAHLLOKOSA-O 1 0 383.537 3.894 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1OC ZINC000245437619 909646953 /nfs/dbraw/zinc/64/69/53/909646953.db2.gz DXZHMFCZRAGJHC-OCMBFUTKSA-N 1 0 384.520 3.747 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267927957 909697215 /nfs/dbraw/zinc/69/72/15/909697215.db2.gz DUOMYCHXUYNQRZ-KDOFPFPSSA-N 1 0 378.567 3.640 20 30 GHEDRO COc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3C[C@H](O)c3ccc(C#N)cc3)n2)c1 ZINC000366371535 921543608 /nfs/dbraw/zinc/54/36/08/921543608.db2.gz LPFJWBOYADGYST-YADHBBJMSA-N 1 0 388.471 3.827 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+]C3CCC(C#N)CC3)C2=O)ccc1Br ZINC001180622764 910251095 /nfs/dbraw/zinc/25/10/95/910251095.db2.gz JXLFCXAPEXGYJK-JMLCCBQJSA-N 1 0 390.325 3.925 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC001202782824 910474368 /nfs/dbraw/zinc/47/43/68/910474368.db2.gz FZSYRBMHGPKNCY-BVYCBKJFSA-N 1 0 389.503 3.718 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC001181044619 910500109 /nfs/dbraw/zinc/50/01/09/910500109.db2.gz WNCWVHNKWOVGHX-ANULTFPQSA-N 1 0 384.520 3.898 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270687493 910661278 /nfs/dbraw/zinc/66/12/78/910661278.db2.gz VOZIUILUUOOAFM-YLJYHZDGSA-N 1 0 385.870 3.968 20 30 GHEDRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000773919309 910757672 /nfs/dbraw/zinc/75/76/72/910757672.db2.gz GYELDNXYGCWSLV-XXBNENTESA-N 1 0 399.535 3.541 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001181436315 910788604 /nfs/dbraw/zinc/78/86/04/910788604.db2.gz PBUPVFTUERXVOI-WBVHZDCISA-N 1 0 377.435 3.780 20 30 GHEDRO C=CCOc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000271149083 910796107 /nfs/dbraw/zinc/79/61/07/910796107.db2.gz DZBVMLQPGWBINW-UHFFFAOYSA-N 1 0 394.515 3.997 20 30 GHEDRO C[C@@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000271317103 910858681 /nfs/dbraw/zinc/85/86/81/910858681.db2.gz CWGHTNZWPQWHLG-GOSISDBHSA-N 1 0 391.519 3.962 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271441361 910906691 /nfs/dbraw/zinc/90/66/91/910906691.db2.gz GLYQHNRJMJPCMI-CQSZACIVSA-N 1 0 379.428 3.546 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000271676739 911010155 /nfs/dbraw/zinc/01/01/55/911010155.db2.gz OEFIQBUUSSQPCS-WMZOPIPTSA-N 1 0 383.517 3.733 20 30 GHEDRO C=CCc1cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1O ZINC000091934968 911345789 /nfs/dbraw/zinc/34/57/89/911345789.db2.gz HRRJHTFUJPOMRA-UHFFFAOYSA-N 1 0 390.524 3.961 20 30 GHEDRO C#CCOc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000092031045 911376122 /nfs/dbraw/zinc/37/61/22/911376122.db2.gz QJNZITRVVIVEID-UHFFFAOYSA-N 1 0 381.451 3.624 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000283249213 911431429 /nfs/dbraw/zinc/43/14/29/911431429.db2.gz LHESUORZZLVAFD-OAQYLSRUSA-N 1 0 397.567 3.739 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C#N)cc1 ZINC000774133179 911435892 /nfs/dbraw/zinc/43/58/92/911435892.db2.gz DCWPUWBEGUHMDQ-RBBKRZOGSA-N 1 0 376.504 3.501 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000283439762 911508537 /nfs/dbraw/zinc/50/85/37/911508537.db2.gz GWJKGZAUGJCFNK-HXUWFJFHSA-N 1 0 389.499 3.564 20 30 GHEDRO Cc1cc(N2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c2ccccc2[nH+]1 ZINC001182335691 911537872 /nfs/dbraw/zinc/53/78/72/911537872.db2.gz ZVZJIOOCWPVKHS-UHFFFAOYSA-N 1 0 384.483 3.696 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000092480404 911564799 /nfs/dbraw/zinc/56/47/99/911564799.db2.gz RMKJIYHVMUGHSJ-KRWDZBQOSA-N 1 0 378.476 3.764 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000774395733 911707366 /nfs/dbraw/zinc/70/73/66/911707366.db2.gz JUGCRDZSXSZJSH-ZBFHGGJFSA-N 1 0 377.406 3.618 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(C)c(F)cc2F)C(=S)NC2(C)CC2)c1 ZINC000284007007 911718905 /nfs/dbraw/zinc/71/89/05/911718905.db2.gz HNWWREAWSDRXEQ-UHFFFAOYSA-O 1 0 375.464 3.950 20 30 GHEDRO CCOc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1O ZINC000092704448 911724271 /nfs/dbraw/zinc/72/42/71/911724271.db2.gz AOBQKGPVWLGUBR-UHFFFAOYSA-N 1 0 388.471 3.533 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000284028934 911725441 /nfs/dbraw/zinc/72/54/41/911725441.db2.gz PFMBLMUKRKJYSC-UHFFFAOYSA-N 1 0 375.669 3.622 20 30 GHEDRO CC[C@H](C(=O)OC[C@@H](C#N)Cc1cccc(Br)c1)[NH+](CC)CC ZINC000774390023 911732288 /nfs/dbraw/zinc/73/22/88/911732288.db2.gz FRNXJRZQFXAMBZ-NVXWUHKLSA-N 1 0 381.314 3.795 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCC#Cc2ccccc2)c2cccs2)CC1 ZINC000642104585 911757402 /nfs/dbraw/zinc/75/74/02/911757402.db2.gz FQSNKMJYEBFCJU-HXUWFJFHSA-N 1 0 381.545 3.872 20 30 GHEDRO CC#CCCCCCCCC(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001182770723 912039305 /nfs/dbraw/zinc/03/93/05/912039305.db2.gz WSIMAWJWIHMKHH-UHFFFAOYSA-N 1 0 378.557 3.838 20 30 GHEDRO COC(=O)CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000093280682 912160638 /nfs/dbraw/zinc/16/06/38/912160638.db2.gz JLBJOBMUKAOAFZ-OAHLLOKOSA-N 1 0 388.414 3.821 20 30 GHEDRO C#C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CCOCC1 ZINC001182989878 912176458 /nfs/dbraw/zinc/17/64/58/912176458.db2.gz MBXAMBLJMDFNLE-QZNYNHHHSA-N 1 0 376.541 3.573 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1 ZINC000291032081 914927899 /nfs/dbraw/zinc/92/78/99/914927899.db2.gz FESWTKJVYMHJOF-SFHVURJKSA-N 1 0 377.488 3.859 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C[NH+]1CCCCC1 ZINC000303641498 915031066 /nfs/dbraw/zinc/03/10/66/915031066.db2.gz RBTPJRXBDVWPQX-LJQANCHMSA-N 1 0 391.515 3.989 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CCCC1 ZINC000303774102 915120488 /nfs/dbraw/zinc/12/04/88/915120488.db2.gz FUEUYKRPGVUASV-OAQYLSRUSA-N 1 0 378.520 3.748 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCc1cn2ccccc2n1)c1ccc(Cl)cc1Cl ZINC000303778931 915124338 /nfs/dbraw/zinc/12/43/38/915124338.db2.gz KDBSIEOGKPBDFS-GFCCVEGCSA-N 1 0 376.291 3.849 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001187297398 915180847 /nfs/dbraw/zinc/18/08/47/915180847.db2.gz NWXZGRRLWOECBS-QGZVFWFLSA-N 1 0 379.464 3.905 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)CC1 ZINC000366806834 921752679 /nfs/dbraw/zinc/75/26/79/921752679.db2.gz WRZKZBXMYRYBIB-LJQANCHMSA-N 1 0 389.337 3.766 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000303851402 915210721 /nfs/dbraw/zinc/21/07/21/915210721.db2.gz OJXALKQTCIOLLF-UHFFFAOYSA-N 1 0 393.878 3.626 20 30 GHEDRO C[C@@H]1CCCN(C(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000303863634 915223018 /nfs/dbraw/zinc/22/30/18/915223018.db2.gz AJZKBPNDYDTYCC-OAHLLOKOSA-N 1 0 383.458 3.800 20 30 GHEDRO COc1cccc(NC(=[NH2+])NC[C@@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000303892611 915301026 /nfs/dbraw/zinc/30/10/26/915301026.db2.gz NRUWNKPCVBZMFZ-FQEVSTJZSA-N 1 0 382.508 3.658 20 30 GHEDRO [NH2+]=C(NCc1cnn(Cc2ccccc2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303896780 915301771 /nfs/dbraw/zinc/30/17/71/915301771.db2.gz QEYFLQDBQSOECI-UHFFFAOYSA-N 1 0 389.381 3.757 20 30 GHEDRO COc1cccc(NC(=[NH2+])NCc2ccc(Oc3cccc(OC)c3)nc2)c1 ZINC000303897484 915302038 /nfs/dbraw/zinc/30/20/38/915302038.db2.gz QODFXSMNGYNOPG-UHFFFAOYSA-N 1 0 378.432 3.818 20 30 GHEDRO COc1cccc(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)c(OC)c2)c1 ZINC000303897612 915302344 /nfs/dbraw/zinc/30/23/44/915302344.db2.gz QROQLSGCHVBFIL-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO [NH2+]=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303899422 915304043 /nfs/dbraw/zinc/30/40/43/915304043.db2.gz RQQZMJBRSPHENU-AWEZNQCLSA-N 1 0 378.398 3.838 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498926 915308253 /nfs/dbraw/zinc/30/82/53/915308253.db2.gz UENOXNRHXHTEPA-RDJZCZTQSA-N 1 0 397.357 3.972 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCCc2nc(C)cs2)c1 ZINC000303987527 915348684 /nfs/dbraw/zinc/34/86/84/915348684.db2.gz VOYKXNSQYJMIDG-UHFFFAOYSA-N 1 0 376.526 3.998 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)c1ccccc1Br ZINC000796383266 915356118 /nfs/dbraw/zinc/35/61/18/915356118.db2.gz GXPIESAGFTWQKM-SFHVURJKSA-N 1 0 380.282 3.646 20 30 GHEDRO C[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@@H+](C2CCC2)C1 ZINC000292053454 915494392 /nfs/dbraw/zinc/49/43/92/915494392.db2.gz BCGIVTWECWRMNE-SFHVURJKSA-N 1 0 378.520 3.544 20 30 GHEDRO Cc1cccc(OC[C@@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304483069 915524689 /nfs/dbraw/zinc/52/46/89/915524689.db2.gz JBUYMMZTSZSCRM-IBGZPJMESA-N 1 0 391.471 3.954 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)c(F)cc2F)C(=S)NC2CCC2)cc1 ZINC000292354514 915630839 /nfs/dbraw/zinc/63/08/39/915630839.db2.gz QIRIOIUMTHTBNG-UHFFFAOYSA-O 1 0 375.464 3.950 20 30 GHEDRO COc1cccc([C@H](O)CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304740617 915669150 /nfs/dbraw/zinc/66/91/50/915669150.db2.gz BUPMWPHVLWZLTD-PIGZYNQJSA-N 1 0 382.291 3.701 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCCOCC1CCOCC1)c1ccc(Cl)cc1Cl ZINC000304756045 915670862 /nfs/dbraw/zinc/67/08/62/915670862.db2.gz NIOMZOYRMLWVTR-CYBMUJFWSA-N 1 0 388.339 3.792 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccccc2CN(C)Cc2ccco2)cc1 ZINC000304792994 915702405 /nfs/dbraw/zinc/70/24/05/915702405.db2.gz LHSALYSJLRSMQY-UHFFFAOYSA-N 1 0 378.476 3.847 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCc1cncn1Cc1ccc(OC)cc1 ZINC001188029946 915721930 /nfs/dbraw/zinc/72/19/30/915721930.db2.gz AJQLZAFMLDAPPD-UHFFFAOYSA-N 1 0 393.553 3.720 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)ccc1OC ZINC000292843885 915871620 /nfs/dbraw/zinc/87/16/20/915871620.db2.gz BGSDYQKGQXCZAX-UHFFFAOYSA-N 1 0 382.504 3.777 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000292869255 915882039 /nfs/dbraw/zinc/88/20/39/915882039.db2.gz SIBXTWOZGMVKRM-UKRRQHHQSA-N 1 0 376.298 3.792 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])N[C@@H](CC)CS(=O)(=O)c1ccccc1 ZINC000305211187 916009394 /nfs/dbraw/zinc/00/93/94/916009394.db2.gz PDURZVHZZVWIOL-SFHVURJKSA-N 1 0 387.549 3.791 20 30 GHEDRO [NH2+]=C(NCCCOCCc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000305257061 916033192 /nfs/dbraw/zinc/03/31/92/916033192.db2.gz WUZBNUTVXVKBMU-UHFFFAOYSA-N 1 0 381.398 3.961 20 30 GHEDRO C=CCn1nnnc1SC[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001188670075 916132279 /nfs/dbraw/zinc/13/22/79/916132279.db2.gz SWFXLCZYLDXDSA-FQEVSTJZSA-N 1 0 379.533 3.867 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc3cc(Br)ccc3[nH]2)C1=O ZINC001275715553 916303307 /nfs/dbraw/zinc/30/33/07/916303307.db2.gz VNCHGWOETLOXQZ-LJQANCHMSA-N 1 0 388.309 3.683 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001188995535 916328743 /nfs/dbraw/zinc/32/87/43/916328743.db2.gz VSNSHBBUMAMSMG-GCJKJVERSA-N 1 0 384.545 3.604 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)c1 ZINC001189083872 916395523 /nfs/dbraw/zinc/39/55/23/916395523.db2.gz BQUFHGYIZYSGMU-NRFANRHFSA-N 1 0 389.499 3.836 20 30 GHEDRO CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(C#C[Si](C)(C)C)cc2)CC1 ZINC001189176521 916473048 /nfs/dbraw/zinc/47/30/48/916473048.db2.gz FLSTYXTWQVIULC-UHFFFAOYSA-N 1 0 398.623 3.725 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000775242600 916582466 /nfs/dbraw/zinc/58/24/66/916582466.db2.gz CIEFJBBEIWQFIO-GCJKJVERSA-N 1 0 396.487 3.895 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775255434 916654607 /nfs/dbraw/zinc/65/46/07/916654607.db2.gz QHMYRKCNKNUAEJ-OAHLLOKOSA-N 1 0 387.430 3.847 20 30 GHEDRO Cc1ccccc1[C@H](O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000796421458 916870885 /nfs/dbraw/zinc/87/08/85/916870885.db2.gz XEUQHVSIWINJAK-HSZRJFAPSA-N 1 0 377.488 3.641 20 30 GHEDRO N#Cc1cc2c(n(Cc3cc(F)ccc3F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001189779061 916913157 /nfs/dbraw/zinc/91/31/57/916913157.db2.gz AMOXJESYLRWVAI-UHFFFAOYSA-N 1 0 391.421 3.605 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(OCC#N)cc1 ZINC000775337370 917037446 /nfs/dbraw/zinc/03/74/46/917037446.db2.gz GLNGUJFAGLUXPO-QGZVFWFLSA-N 1 0 389.455 3.963 20 30 GHEDRO COc1cccc(N2CC[NH+](CCSCc3ccc(CC#N)cc3)CC2)c1 ZINC001190089190 917088090 /nfs/dbraw/zinc/08/80/90/917088090.db2.gz PSGFUXZHIBIRJV-UHFFFAOYSA-N 1 0 381.545 3.817 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC001190347728 917275763 /nfs/dbraw/zinc/27/57/63/917275763.db2.gz FHEGYGSKIFMXDA-DENIHFKCSA-N 1 0 387.524 3.531 20 30 GHEDRO C#CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000775399334 917424821 /nfs/dbraw/zinc/42/48/21/917424821.db2.gz BUJWEHIUQUXEMP-SFHVURJKSA-N 1 0 392.318 3.577 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000775398910 917439559 /nfs/dbraw/zinc/43/95/59/917439559.db2.gz NSZKBKJXAPXKHK-IBGZPJMESA-N 1 0 390.405 3.598 20 30 GHEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3C(C)(C)C#N)[C@H](C)C2)cc1 ZINC001190780782 917560960 /nfs/dbraw/zinc/56/09/60/917560960.db2.gz OEBRPDNJKOLLKP-GOSISDBHSA-N 1 0 391.515 3.985 20 30 GHEDRO COc1ccc(C2([NH2+]Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)cc1 ZINC000775411738 917562741 /nfs/dbraw/zinc/56/27/41/917562741.db2.gz IFDNATQANHENFK-GOSISDBHSA-N 1 0 384.439 3.511 20 30 GHEDRO C=CCn1c(N2CCC(C[NH+]3CCCCCC3)CC2)nnc1[C@]1(C)CCCO1 ZINC000651514357 917632281 /nfs/dbraw/zinc/63/22/81/917632281.db2.gz HWBKAQCHMYATFU-QFIPXVFZSA-N 1 0 387.572 3.582 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000775421766 917646499 /nfs/dbraw/zinc/64/64/99/917646499.db2.gz KIKIJCRCRGJIAX-OPAMFIHVSA-N 1 0 386.455 3.590 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295970960 917679654 /nfs/dbraw/zinc/67/96/54/917679654.db2.gz NVBMGMGXSAEQIW-CEWLAPEOSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000295987739 917707896 /nfs/dbraw/zinc/70/78/96/917707896.db2.gz PGNUKRYBXFRIFG-FUHWJXTLSA-N 1 0 387.553 3.650 20 30 GHEDRO CCCCCCCNC(=O)N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001191118293 917766611 /nfs/dbraw/zinc/76/66/11/917766611.db2.gz FEOVMNAJKSUMDW-MEMLXQNLSA-N 1 0 378.605 3.595 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000296454770 918286387 /nfs/dbraw/zinc/28/63/87/918286387.db2.gz MYBUGUFZZHCUHL-CQSZACIVSA-N 1 0 379.428 3.546 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3noc(-c4ccccc4F)n3)CC2)cc1 ZINC000363767825 918824954 /nfs/dbraw/zinc/82/49/54/918824954.db2.gz UBZWMJKQNRDZCS-UHFFFAOYSA-N 1 0 391.450 3.502 20 30 GHEDRO Cc1ccnc(C2CCN(CC(=O)N(CCC#N)c3ccc(C)c(C)c3)CC2)n1 ZINC000363797672 918874496 /nfs/dbraw/zinc/87/44/96/918874496.db2.gz GLLSGTWXUWAWHJ-UHFFFAOYSA-N 1 0 391.519 3.528 20 30 GHEDRO CCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccc(C#N)cc1 ZINC000117335616 919538461 /nfs/dbraw/zinc/53/84/61/919538461.db2.gz UTCPCQMUCWMDQJ-UHFFFAOYSA-N 1 0 394.431 3.677 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000800313111 919889865 /nfs/dbraw/zinc/88/98/65/919889865.db2.gz DWVQVAUBDCCBRA-QHCPKHFHSA-N 1 0 386.499 3.729 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000364730172 919916918 /nfs/dbraw/zinc/91/69/18/919916918.db2.gz ONWNSQXJKGFACK-IBGZPJMESA-N 1 0 384.568 3.650 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000800502536 920196354 /nfs/dbraw/zinc/19/63/54/920196354.db2.gz DCTTXNQUYVDXMN-JOCHJYFZSA-N 1 0 382.529 3.573 20 30 GHEDRO C=CCCc1ccccc1NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000800591738 920301288 /nfs/dbraw/zinc/30/12/88/920301288.db2.gz BSCARVQHJKSINU-UHFFFAOYSA-N 1 0 387.524 3.687 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000800882843 920562696 /nfs/dbraw/zinc/56/26/96/920562696.db2.gz CYEZIZRYAPBNEJ-UYAOXDASSA-N 1 0 377.488 3.614 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC=C(c3cccnc3)C1)CCC2 ZINC000298595161 920705776 /nfs/dbraw/zinc/70/57/76/920705776.db2.gz SAAZIOYKNWOXJE-UHFFFAOYSA-N 1 0 378.501 3.621 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1ccccc1O2 ZINC000298642394 920754214 /nfs/dbraw/zinc/75/42/14/920754214.db2.gz LLVXAQFZIKUIOC-ZJVMWOEPSA-N 1 0 387.483 3.676 20 30 GHEDRO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000901324905 921017000 /nfs/dbraw/zinc/01/70/00/921017000.db2.gz DACBUBGGPQXUND-SEYXRHQNSA-N 1 0 391.515 3.903 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000801426701 921022213 /nfs/dbraw/zinc/02/22/13/921022213.db2.gz JNLWRSHXSSLYFY-MRXNPFEDSA-N 1 0 379.460 3.584 20 30 GHEDRO C=CCn1c(=O)c2c3c(sc2nc1SCC[NH+]1CCCC1)CCCC3 ZINC000802489692 922157525 /nfs/dbraw/zinc/15/75/25/922157525.db2.gz NSFXYIIFAOHRCB-UHFFFAOYSA-N 1 0 375.563 3.711 20 30 GHEDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000367735489 922288225 /nfs/dbraw/zinc/28/82/25/922288225.db2.gz ABFVUQWSGBPTOG-NDEPHWFRSA-N 1 0 392.528 3.632 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000367903942 922370343 /nfs/dbraw/zinc/37/03/43/922370343.db2.gz OGOKDEAEOQEGOZ-KURKYZTESA-N 1 0 379.545 3.711 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000902737278 922448684 /nfs/dbraw/zinc/44/86/84/922448684.db2.gz UEIKAZYHHKFASH-JOCHJYFZSA-N 1 0 376.504 3.702 20 30 GHEDRO C[C@@H](Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1ccc(OCC#N)cc1 ZINC000368223591 922539893 /nfs/dbraw/zinc/53/98/93/922539893.db2.gz QKDDVCQEXCOMQD-QGZVFWFLSA-N 1 0 379.504 3.891 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1sccc1Br)CC2 ZINC001139309437 923867808 /nfs/dbraw/zinc/86/78/08/923867808.db2.gz XYAJOMHHYCMNCO-UHFFFAOYSA-N 1 0 385.327 3.731 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000370826679 924317453 /nfs/dbraw/zinc/31/74/53/924317453.db2.gz NBMKBINYVGUJEL-SXSPYAJSSA-N 1 0 389.499 3.549 20 30 GHEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000371332255 924529932 /nfs/dbraw/zinc/52/99/32/924529932.db2.gz OBUKCISEUDJJAI-JPYJTQIMSA-N 1 0 383.536 3.981 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000371533389 924640447 /nfs/dbraw/zinc/64/04/47/924640447.db2.gz GQOIQVZLEKJUET-MSOLQXFVSA-N 1 0 395.453 3.743 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cccc(Br)c34)C2)C1=O ZINC001276038559 924642493 /nfs/dbraw/zinc/64/24/93/924642493.db2.gz XAALEOMXFMHFAZ-IBGZPJMESA-N 1 0 388.309 3.541 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409655720 924844424 /nfs/dbraw/zinc/84/44/24/924844424.db2.gz IZNBLNKNNNMYJU-UHFFFAOYSA-N 1 0 379.342 3.883 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000371786136 924852920 /nfs/dbraw/zinc/85/29/20/924852920.db2.gz BGQHURDDCWGPGP-UHFFFAOYSA-N 1 0 387.487 3.625 20 30 GHEDRO Cc1cc(NC(=O)C2(C#N)CCCC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372085153 925135282 /nfs/dbraw/zinc/13/52/82/925135282.db2.gz CUZOKJSVKVIYBU-IBGZPJMESA-N 1 0 377.492 3.661 20 30 GHEDRO CC1(C)OCc2cc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)ccc2O1 ZINC000827326631 925271371 /nfs/dbraw/zinc/27/13/71/925271371.db2.gz JEBVTFRBNMIPRT-UHFFFAOYSA-N 1 0 378.472 3.999 20 30 GHEDRO Cc1ccc(Cl)c(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000410370611 925581478 /nfs/dbraw/zinc/58/14/78/925581478.db2.gz IBIACVPEAZVKQR-QGZVFWFLSA-N 1 0 399.922 3.878 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cscc1C#N ZINC000410476642 925669181 /nfs/dbraw/zinc/66/91/81/925669181.db2.gz QHKOLAYVXRMJSX-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1)C1CCOCC1 ZINC000827560368 925809945 /nfs/dbraw/zinc/80/99/45/925809945.db2.gz PJWCQUMJAXBYTH-OAHLLOKOSA-N 1 0 387.115 3.730 20 30 GHEDRO CC(C)C[N@H+](CCCON1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1 ZINC000827562778 925822411 /nfs/dbraw/zinc/82/24/11/925822411.db2.gz RWWCJQVNFZKBBT-UHFFFAOYSA-N 1 0 391.471 3.634 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1)C(C)C ZINC000373371700 926059805 /nfs/dbraw/zinc/05/98/05/926059805.db2.gz ANQCJQPGLTUCEV-FYYLOGMGSA-N 1 0 383.536 3.984 20 30 GHEDRO N#C[C@@H]1N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCC[C@]12CCCCO2 ZINC000373374859 926062903 /nfs/dbraw/zinc/06/29/03/926062903.db2.gz CLIDCHBFJJSTBJ-JTHBVZDNSA-N 1 0 381.520 3.740 20 30 GHEDRO C=CCN(Cc1cccs1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000411130950 926106606 /nfs/dbraw/zinc/10/66/06/926106606.db2.gz DGGJWDFZYBSYDV-LJQANCHMSA-N 1 0 397.588 3.905 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411171280 926160784 /nfs/dbraw/zinc/16/07/84/926160784.db2.gz ZINZPCVQLITIBE-LAUBAEHRSA-N 1 0 377.488 3.799 20 30 GHEDRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000682952093 926307371 /nfs/dbraw/zinc/30/73/71/926307371.db2.gz YTQWSDYUIVBBPW-ZJUUUORDSA-N 1 0 385.226 3.571 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccncc1 ZINC000411420149 926383434 /nfs/dbraw/zinc/38/34/34/926383434.db2.gz HLGGEAZXENHHRS-OAHLLOKOSA-N 1 0 382.533 3.990 20 30 GHEDRO Cc1ccc(C)n1C1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000725799635 926444114 /nfs/dbraw/zinc/44/41/14/926444114.db2.gz WDTKGDCGQKZLCC-FQEVSTJZSA-N 1 0 399.498 3.979 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1)C(C)C ZINC000726054126 926539907 /nfs/dbraw/zinc/53/99/07/926539907.db2.gz LKCBMYVWQBVUMD-VGOFRKELSA-N 1 0 387.524 3.517 20 30 GHEDRO C=CC[C@H]1N(Cc2nnc3n2c2ccccc2c(=O)n3CC)CCCC1(C)C ZINC000411637788 926595885 /nfs/dbraw/zinc/59/58/85/926595885.db2.gz GOVAYLWAMVDPJF-GOSISDBHSA-N 1 0 379.508 3.631 20 30 GHEDRO N#CCOc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374096285 926754039 /nfs/dbraw/zinc/75/40/39/926754039.db2.gz XPUIVGMSCGHOIN-DEOSSOPVSA-N 1 0 389.499 3.717 20 30 GHEDRO CC[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000374255401 926941470 /nfs/dbraw/zinc/94/14/70/926941470.db2.gz GYEFZPIIOCINJJ-JOCHJYFZSA-N 1 0 391.515 3.863 20 30 GHEDRO CC[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000374255403 926941741 /nfs/dbraw/zinc/94/17/41/926941741.db2.gz GYEFZPIIOCINJJ-QFIPXVFZSA-N 1 0 391.515 3.863 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000412037287 927022818 /nfs/dbraw/zinc/02/28/18/927022818.db2.gz JMXYFVPYDYMXRV-OAHLLOKOSA-N 1 0 384.442 3.921 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000749592514 927205690 /nfs/dbraw/zinc/20/56/90/927205690.db2.gz YLMYGSSPOMIDMS-UTKZUKDTSA-N 1 0 378.476 3.621 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[N@H+](CC4CCC4)CC3)o2)cc1 ZINC000412307053 927318351 /nfs/dbraw/zinc/31/83/51/927318351.db2.gz GXSWETFJGSYTBV-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000749926952 927353408 /nfs/dbraw/zinc/35/34/08/927353408.db2.gz RETHIIBZLLERBT-HXUWFJFHSA-N 1 0 382.895 3.585 20 30 GHEDRO N#Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4csc(Cl)c4)C3)C2=O)c1 ZINC001276205428 927368287 /nfs/dbraw/zinc/36/82/87/927368287.db2.gz LLHRJFIUGNBBDX-FQEVSTJZSA-N 1 0 385.920 3.898 20 30 GHEDRO C[C@H](C#N)Oc1ccc(CNc2cccc3c2CC[N@H+](CC(C)(C)O)C3)cc1 ZINC000374648487 927377392 /nfs/dbraw/zinc/37/73/92/927377392.db2.gz XBXFVSJXTBKGRR-QGZVFWFLSA-N 1 0 379.504 3.719 20 30 GHEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000412573734 927592068 /nfs/dbraw/zinc/59/20/68/927592068.db2.gz NHILLMWAGFRXFO-UHFFFAOYSA-N 1 0 381.476 3.689 20 30 GHEDRO N#Cc1cnc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000413031384 928122305 /nfs/dbraw/zinc/12/23/05/928122305.db2.gz HZKRHRKYTAYMHQ-UHFFFAOYSA-N 1 0 378.373 3.823 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000413094408 928196756 /nfs/dbraw/zinc/19/67/56/928196756.db2.gz KTULHGMKJPCRKQ-NRFANRHFSA-N 1 0 378.520 3.533 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 ZINC000752298809 928738842 /nfs/dbraw/zinc/73/88/42/928738842.db2.gz HPPZQCCWWKASHQ-UHFFFAOYSA-N 1 0 387.484 3.513 20 30 GHEDRO Cc1ccc(C(=O)CCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000467290001 928922141 /nfs/dbraw/zinc/92/21/41/928922141.db2.gz FUDSIYFGWMQALJ-UHFFFAOYSA-N 1 0 391.515 3.810 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000467294647 928925796 /nfs/dbraw/zinc/92/57/96/928925796.db2.gz BLQFSSOJGMBCQL-KBPBESRZSA-N 1 0 383.305 3.976 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000467295851 928930429 /nfs/dbraw/zinc/93/04/29/928930429.db2.gz VNYCSHKQVKWWPU-UHFFFAOYSA-N 1 0 388.515 3.723 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000752693343 928983564 /nfs/dbraw/zinc/98/35/64/928983564.db2.gz WHRZUPSLTZYZPU-UHFFFAOYSA-N 1 0 395.478 3.966 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)[C@@H](C)C2(C)CC2)c1=S ZINC000753110727 929210108 /nfs/dbraw/zinc/21/01/08/929210108.db2.gz NCVHGONTCPOKKP-KRWDZBQOSA-N 1 0 377.602 3.706 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000467711435 929326376 /nfs/dbraw/zinc/32/63/76/929326376.db2.gz BUHGMGAXWGKIRX-QRWLVFNGSA-N 1 0 377.513 3.922 20 30 GHEDRO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(Oc3ccc(C#N)cn3)CC1)CC2 ZINC000545899084 929654673 /nfs/dbraw/zinc/65/46/73/929654673.db2.gz ZGMNAYVUXWWMEK-KBWCOIMZSA-N 1 0 377.488 3.799 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000546002690 929763308 /nfs/dbraw/zinc/76/33/08/929763308.db2.gz PCGAEEBEJPJCKC-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO COc1ccc2c(NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc[nH+]c2c1 ZINC000757804408 929806921 /nfs/dbraw/zinc/80/69/21/929806921.db2.gz DWAXMXURLSCFES-UHFFFAOYSA-N 1 0 398.470 3.928 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000758189844 929966385 /nfs/dbraw/zinc/96/63/85/929966385.db2.gz IROZYZBUCAJYGB-APWZRJJASA-N 1 0 388.471 3.643 20 30 GHEDRO CC[C@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000759270643 930325714 /nfs/dbraw/zinc/32/57/14/930325714.db2.gz CNZMKSGBUXENTD-FQEVSTJZSA-N 1 0 380.467 3.503 20 30 GHEDRO CCCCC[N@H+](CCCOC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000780378116 930501954 /nfs/dbraw/zinc/50/19/54/930501954.db2.gz STIJMNYTTGZCJU-GOSISDBHSA-N 1 0 380.492 3.752 20 30 GHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000470757596 930887248 /nfs/dbraw/zinc/88/72/48/930887248.db2.gz TZCXMWLTALYFSB-QHCPKHFHSA-N 1 0 386.499 3.543 20 30 GHEDRO CCC1(c2ccc(Cl)cc2)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000470870008 930983436 /nfs/dbraw/zinc/98/34/36/930983436.db2.gz OEMVTZYTCGEQGT-UHFFFAOYSA-N 1 0 386.927 3.740 20 30 GHEDRO Cc1ccccc1NC(=O)CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471005216 931090281 /nfs/dbraw/zinc/09/02/81/931090281.db2.gz FXMWCFZKUNZOIA-NRFANRHFSA-N 1 0 396.922 3.860 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000782450176 931221629 /nfs/dbraw/zinc/22/16/29/931221629.db2.gz CSBUFPDQAFZDRJ-QFIPXVFZSA-N 1 0 390.556 3.674 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000924680709 931472731 /nfs/dbraw/zinc/47/27/31/931472731.db2.gz HZIAJQOYBAKSDA-CEXWTWQISA-N 1 0 390.572 3.522 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000924680713 931472817 /nfs/dbraw/zinc/47/28/17/931472817.db2.gz HZIAJQOYBAKSDA-QYZOEREBSA-N 1 0 390.572 3.522 20 30 GHEDRO COc1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(Cl)c1OC ZINC000557525710 931519539 /nfs/dbraw/zinc/51/95/39/931519539.db2.gz QNLMAIWHAGFFBB-UHFFFAOYSA-N 1 0 387.911 3.793 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1ccc(O)cc1 ZINC000924800641 931542663 /nfs/dbraw/zinc/54/26/63/931542663.db2.gz KQBAMYFZBREKLH-KRWDZBQOSA-N 1 0 387.524 3.844 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1ccccc1O ZINC000924899568 931577819 /nfs/dbraw/zinc/57/78/19/931577819.db2.gz WTIOKUPEZQNKOH-KRWDZBQOSA-N 1 0 387.524 3.844 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](CO)c1ccccc1 ZINC000925087757 931639963 /nfs/dbraw/zinc/63/99/63/931639963.db2.gz DKSAQYLOVCVMOV-PKOBYXMFSA-N 1 0 387.524 3.629 20 30 GHEDRO Cc1cnc(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000925153314 931680738 /nfs/dbraw/zinc/68/07/38/931680738.db2.gz SVJUAZIIJJXQMP-CQSZACIVSA-N 1 0 378.542 3.861 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1O ZINC000784002216 931751112 /nfs/dbraw/zinc/75/11/12/931751112.db2.gz RWRUBVWIRSHRPM-QGZVFWFLSA-N 1 0 375.509 3.537 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000557930776 931759787 /nfs/dbraw/zinc/75/97/87/931759787.db2.gz KHMNHLPILKVRHI-JXFKEZNVSA-N 1 0 386.455 3.606 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c(C#N)c1C ZINC000558399551 931980664 /nfs/dbraw/zinc/98/06/64/931980664.db2.gz XEFRHYYQCBBFAX-INIZCTEOSA-N 1 0 377.535 3.586 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2=O)cc1 ZINC000558574456 932081129 /nfs/dbraw/zinc/08/11/29/932081129.db2.gz IRXVTRVCXPSHAE-IBGZPJMESA-N 1 0 398.388 3.734 20 30 GHEDRO COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000796965591 932126413 /nfs/dbraw/zinc/12/64/13/932126413.db2.gz QKHGNRZSXXLPDX-FOIQADDNSA-N 1 0 397.906 3.980 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000796991838 932138464 /nfs/dbraw/zinc/13/84/64/932138464.db2.gz XUOFYZKVMLMDJE-XCRHUMRWSA-N 1 0 393.915 3.620 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCC[C@@H]1CCOC1 ZINC000926543991 932223193 /nfs/dbraw/zinc/22/31/93/932223193.db2.gz NUWPCICLWOJREX-QZTJIDSGSA-N 1 0 379.545 3.712 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)COc1ccc(C#N)cc1 ZINC000797342269 932256575 /nfs/dbraw/zinc/25/65/75/932256575.db2.gz KSOFSBSMYWAVBV-OAQYLSRUSA-N 1 0 378.472 3.781 20 30 GHEDRO C[C@H](COCC1CC1)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926653528 932262333 /nfs/dbraw/zinc/26/23/33/932262333.db2.gz YIFJOMXXNLHRTF-IAGOWNOFSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000797414480 932275313 /nfs/dbraw/zinc/27/53/13/932275313.db2.gz AYZNYTDNSCXGQO-LLGFUMIMSA-N 1 0 387.549 3.930 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000926695979 932275451 /nfs/dbraw/zinc/27/54/51/932275451.db2.gz ILNVACUETLHOJV-SJORKVTESA-N 1 0 377.529 3.607 20 30 GHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000558981934 932354323 /nfs/dbraw/zinc/35/43/23/932354323.db2.gz RXHFEDGZPMHKMB-UHFFFAOYSA-N 1 0 392.507 3.707 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[C@@H]2CCOC2)cc1C#N ZINC000926959905 932364540 /nfs/dbraw/zinc/36/45/40/932364540.db2.gz CRFHRYLYNMMXBF-HMXCVIKNSA-N 1 0 399.535 3.618 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000798942145 932828111 /nfs/dbraw/zinc/82/81/11/932828111.db2.gz QARWPTVJUQJNTI-QHCPKHFHSA-N 1 0 398.551 3.717 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799268722 932937344 /nfs/dbraw/zinc/93/73/44/932937344.db2.gz FZOPXVKCXKJLPD-UHFFFAOYSA-N 1 0 397.563 3.811 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C#N ZINC000799337533 932956834 /nfs/dbraw/zinc/95/68/34/932956834.db2.gz ZQLRGNCKJFIVDI-LJQANCHMSA-N 1 0 385.895 3.680 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C)c(C#N)c1 ZINC000799713613 933098132 /nfs/dbraw/zinc/09/81/32/933098132.db2.gz UBXUTWXMTMRGTD-OAQYLSRUSA-N 1 0 377.488 3.699 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCC1 ZINC000560170528 933109007 /nfs/dbraw/zinc/10/90/07/933109007.db2.gz NXZAGBYIFPQWKT-SFHVURJKSA-N 1 0 398.551 3.621 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC001116382082 933525973 /nfs/dbraw/zinc/52/59/73/933525973.db2.gz GJJBQEUOWHEIGO-QHAWAJNXSA-N 1 0 380.467 3.915 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC001116487664 933587698 /nfs/dbraw/zinc/58/76/98/933587698.db2.gz IKPRWHGUDBBBBP-CQSZACIVSA-N 1 0 391.393 3.688 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001116541655 933622560 /nfs/dbraw/zinc/62/25/60/933622560.db2.gz LMCIINQNLGWQCS-QAPCUYQASA-N 1 0 383.319 3.934 20 30 GHEDRO CN1CCO[C@H]([C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC001116704864 933713378 /nfs/dbraw/zinc/71/33/78/933713378.db2.gz SNHCPSSRDFJRDW-NULCOVKLSA-N 1 0 395.934 3.925 20 30 GHEDRO CC(C)[N@H+](C)CCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561058919 933827109 /nfs/dbraw/zinc/82/71/09/933827109.db2.gz GRKXYDAMYIIQHS-UHFFFAOYSA-N 1 0 390.959 3.665 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000930170626 933874883 /nfs/dbraw/zinc/87/48/83/933874883.db2.gz FCYHXJZRYHULDW-KNQAVFIVSA-N 1 0 390.487 3.614 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000561115375 933881417 /nfs/dbraw/zinc/88/14/17/933881417.db2.gz YHBYJFHJUSRLKK-RBUKOAKNSA-N 1 0 379.504 3.924 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000930201375 933888113 /nfs/dbraw/zinc/88/81/13/933888113.db2.gz RGVCZJHNEJWFDZ-LJQANCHMSA-N 1 0 385.895 3.920 20 30 GHEDRO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC001117592779 933960311 /nfs/dbraw/zinc/96/03/11/933960311.db2.gz YGVFNFCFCWSCQQ-UHFFFAOYSA-N 1 0 385.467 3.868 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3[nH]ccc3-c3ccccc3)CC2)cc1 ZINC001117743245 934002119 /nfs/dbraw/zinc/00/21/19/934002119.db2.gz BGLKQEXGKHSUMZ-UHFFFAOYSA-N 1 0 384.483 3.901 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1 ZINC000930569750 934109174 /nfs/dbraw/zinc/10/91/74/934109174.db2.gz ZHQYWOXQJSEZAV-QGZVFWFLSA-N 1 0 391.471 3.694 20 30 GHEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000930846361 934272192 /nfs/dbraw/zinc/27/21/92/934272192.db2.gz SRXDXNYJQCNEIB-UHFFFAOYSA-N 1 0 379.545 3.664 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000561707933 934384382 /nfs/dbraw/zinc/38/43/82/934384382.db2.gz UPZKSAZVPUMTLN-GOSISDBHSA-N 1 0 376.504 3.626 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC001119804659 934397089 /nfs/dbraw/zinc/39/70/89/934397089.db2.gz ASYQDPDBEUZJCU-NRFANRHFSA-N 1 0 388.515 3.677 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)C1 ZINC000561764341 934432494 /nfs/dbraw/zinc/43/24/94/934432494.db2.gz HXDMWDMEXKLEKH-QFIPXVFZSA-N 1 0 379.435 3.657 20 30 GHEDRO CN(C)c1ncc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c2ccccc21 ZINC000931256657 934465964 /nfs/dbraw/zinc/46/59/64/934465964.db2.gz JWIKZLJWPIJHQM-UHFFFAOYSA-N 1 0 386.499 3.968 20 30 GHEDRO CC(C)(C)[C@H]1CSCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000931596901 934636270 /nfs/dbraw/zinc/63/62/70/934636270.db2.gz OBGIPOYJAKADJQ-MAUKXSAKSA-N 1 0 380.517 3.687 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](CO)c3ccccc3Cl)CC2)cc1 ZINC000562039380 934652829 /nfs/dbraw/zinc/65/28/29/934652829.db2.gz GWBRLHWMMMJKHU-LJQANCHMSA-N 1 0 383.923 3.542 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCC3)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001121547461 934693272 /nfs/dbraw/zinc/69/32/72/934693272.db2.gz VFDUKLYBCJXWIR-QHCPKHFHSA-N 1 0 394.567 3.644 20 30 GHEDRO C=CCn1c([C@@H](O)C2CCCC2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001121579694 934704865 /nfs/dbraw/zinc/70/48/65/934704865.db2.gz WEZOOPBCEKGGKR-IBGZPJMESA-N 1 0 387.572 3.533 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001121595048 934710571 /nfs/dbraw/zinc/71/05/71/934710571.db2.gz HPVUNBRSBGKLIV-SESVDKBCSA-N 1 0 399.583 3.939 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H](CCC)C1 ZINC001121730852 934749868 /nfs/dbraw/zinc/74/98/68/934749868.db2.gz GCEHZQBPVLYAKA-QUCCMNQESA-N 1 0 387.572 3.797 20 30 GHEDRO CCn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001121783878 934763038 /nfs/dbraw/zinc/76/30/38/934763038.db2.gz SZKRIWAZKAEMTI-FCHUYYIVSA-N 1 0 398.514 3.503 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5c(s4)CCC5)C3)o2)c1 ZINC000932194259 934846944 /nfs/dbraw/zinc/84/69/44/934846944.db2.gz PKHQPUYIWUNKIU-INIZCTEOSA-N 1 0 391.500 3.933 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001122374766 934858604 /nfs/dbraw/zinc/85/86/04/934858604.db2.gz ZQJFSMQZVBCEHI-LJQANCHMSA-N 1 0 389.588 3.779 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1C1(C#N)CCCCC1 ZINC001122435283 934868848 /nfs/dbraw/zinc/86/88/48/934868848.db2.gz RXEDFNWGPMYFFB-UHFFFAOYSA-N 1 0 384.572 3.890 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001122464876 934876191 /nfs/dbraw/zinc/87/61/91/934876191.db2.gz SHQAEFWPLUYQMT-IBGZPJMESA-N 1 0 378.524 3.584 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001122537612 934893256 /nfs/dbraw/zinc/89/32/56/934893256.db2.gz MKSNABHASYKBIA-NRFANRHFSA-N 1 0 397.567 3.646 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001122545372 934895141 /nfs/dbraw/zinc/89/51/41/934895141.db2.gz BLMKHEOMFJRELS-JKSUJKDBSA-N 1 0 395.642 3.889 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001122545640 934895830 /nfs/dbraw/zinc/89/58/30/934895830.db2.gz HKHBSJLUHPWPJL-UHFFFAOYSA-N 1 0 377.602 3.775 20 30 GHEDRO CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001122684892 934948346 /nfs/dbraw/zinc/94/83/46/934948346.db2.gz HQZLSJUUZXTSGM-HBFSDRIKSA-N 1 0 384.572 3.794 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2CC2)cc1C#N ZINC001123690031 935253415 /nfs/dbraw/zinc/25/34/15/935253415.db2.gz RLYZUDRDNGVTPH-UHFFFAOYSA-N 1 0 378.524 3.502 20 30 GHEDRO C=CCc1ccc(OC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c(OC)c1 ZINC001124175973 935352981 /nfs/dbraw/zinc/35/29/81/935352981.db2.gz HUBPGANXOYATDT-GXDHUFHOSA-N 1 0 381.472 3.983 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC001137640228 935655881 /nfs/dbraw/zinc/65/58/81/935655881.db2.gz XAMJHOKIOQTGAD-ZFWWWQNUSA-N 1 0 379.298 3.732 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC2(CCCC2)C1 ZINC000829154548 935774146 /nfs/dbraw/zinc/77/41/46/935774146.db2.gz MKTJLSQWCFLCFF-MOPGFXCFSA-N 1 0 385.556 3.551 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000829191459 935778331 /nfs/dbraw/zinc/77/83/31/935778331.db2.gz GCPGUBURKCKQCT-BHDDXSALSA-N 1 0 392.499 3.649 20 30 GHEDRO COc1ncnc2c1CC[N@H+](Cc1ccc(N(C)c3ccc(C#N)cc3)cc1)CC2 ZINC001137900922 935855451 /nfs/dbraw/zinc/85/54/51/935855451.db2.gz LMTHUJRYHLTZOD-UHFFFAOYSA-N 1 0 399.498 3.726 20 30 GHEDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(N(C)c4ccc(C#N)cc4)cc3)CC[N@@H+]2C1 ZINC001137901466 935855462 /nfs/dbraw/zinc/85/54/62/935855462.db2.gz XBGZSOBFMFSOMI-BJKOFHAPSA-N 1 0 390.531 3.621 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(F)(F)c3ccccc3C#N)c2)CC1 ZINC001138031438 935937618 /nfs/dbraw/zinc/93/76/18/935937618.db2.gz SFYABKATTJYONW-UHFFFAOYSA-N 1 0 398.457 3.819 20 30 GHEDRO N#Cc1ccccc1OCCCNC(=O)C[C@@H]([NH3+])Cc1csc2ccccc12 ZINC001220684952 1032062799 /nfs/dbraw/zinc/06/27/99/1032062799.db2.gz HPSUWQKIPPIFOD-SFHVURJKSA-N 1 0 393.512 3.618 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CCOc3ccccc3C#N)C[C@@H]1CCCC2 ZINC001460978369 1069312795 /nfs/dbraw/zinc/31/27/95/1069312795.db2.gz UPHPPLSFVSMEPE-CVDCTZTESA-N 1 0 399.535 3.954 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)C1 ZINC001220725365 1032085827 /nfs/dbraw/zinc/08/58/27/1032085827.db2.gz QVAWQPIFTBZEAC-DZTCTPMYSA-N 1 0 399.538 3.777 20 30 GHEDRO C=C(C)COCCNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001625850871 1014229650 /nfs/dbraw/zinc/22/96/50/1014229650.db2.gz WXWBGABVWNJRBZ-UHFFFAOYSA-N 1 0 377.554 3.979 20 30 GHEDRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000374167112 1015057989 /nfs/dbraw/zinc/05/79/89/1015057989.db2.gz ZNMYGLPKPDQGOZ-IBGZPJMESA-N 1 0 385.508 3.507 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)on2)c1 ZINC000468238341 1015475441 /nfs/dbraw/zinc/47/54/41/1015475441.db2.gz SGACZDOCPITPAR-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545476422 1015915415 /nfs/dbraw/zinc/91/54/15/1015915415.db2.gz FHWLRWGYVUNDHX-HXUWFJFHSA-N 1 0 379.529 3.773 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC)Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC001226797390 1032134495 /nfs/dbraw/zinc/13/44/95/1032134495.db2.gz MBISUGFTSMOSQM-INIZCTEOSA-N 1 0 390.597 3.840 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)c1 ZINC000468989311 1016311181 /nfs/dbraw/zinc/31/11/81/1016311181.db2.gz PNEWZNSAULGMRS-UHFFFAOYSA-N 1 0 398.466 3.802 20 30 GHEDRO COc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)c1Cl ZINC001277165551 1032192914 /nfs/dbraw/zinc/19/29/14/1032192914.db2.gz CFHSGBQCMPOWBI-FQEVSTJZSA-N 1 0 375.900 3.609 20 30 GHEDRO CC(C)Oc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)cc1C#N ZINC001221042628 1032250513 /nfs/dbraw/zinc/25/05/13/1032250513.db2.gz IMAVMUIOWLQKRJ-JOCHJYFZSA-N 1 0 395.478 3.955 20 30 GHEDRO C=CCSc1ncccc1C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221043497 1032251588 /nfs/dbraw/zinc/25/15/88/1032251588.db2.gz YACRGTVZSVJABS-IBGZPJMESA-N 1 0 385.508 3.970 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2NC[C@@]2(F)CCCC[NH2+]C2)cc1 ZINC001155123888 1032424012 /nfs/dbraw/zinc/42/40/12/1032424012.db2.gz MUTJVPCCKIGDTC-GOSISDBHSA-N 1 0 375.835 3.688 20 30 GHEDRO CSc1ccc(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC001221463882 1032425255 /nfs/dbraw/zinc/42/52/55/1032425255.db2.gz FACNNLMORPPORP-HOTGVXAUSA-N 1 0 388.581 3.836 20 30 GHEDRO N#CCc1ccc(OCc2ccc(NCc3ccc4c(c3)CC[NH2+]C4)nc2)cc1 ZINC001155272222 1032478422 /nfs/dbraw/zinc/47/84/22/1032478422.db2.gz IPPNXZOCZMJUIF-UHFFFAOYSA-N 1 0 384.483 3.984 20 30 GHEDRO C=CC[C@H](CC)NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001221822919 1032545118 /nfs/dbraw/zinc/54/51/18/1032545118.db2.gz KPPRMHSGOZBPRN-SFHVURJKSA-N 1 0 378.948 3.506 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155602705 1032594402 /nfs/dbraw/zinc/59/44/02/1032594402.db2.gz OSBPOKLXZMMEEZ-HXPMCKFVSA-N 1 0 391.302 3.984 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)CC1 ZINC000928653702 1017541705 /nfs/dbraw/zinc/54/17/05/1017541705.db2.gz XKJKGIYYKLRFGT-UHFFFAOYSA-N 1 0 392.286 3.784 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000928659332 1017542743 /nfs/dbraw/zinc/54/27/43/1017542743.db2.gz LWCHYSSFYGRWHU-ROUUACIJSA-N 1 0 379.529 3.560 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560267134 1017581207 /nfs/dbraw/zinc/58/12/07/1017581207.db2.gz OHJUQBYSVFBCNI-KRWDZBQOSA-N 1 0 387.483 3.992 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(C)cc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000932146639 1018120724 /nfs/dbraw/zinc/12/07/24/1018120724.db2.gz QAHNRGOCKVPFKT-UHFFFAOYSA-N 1 0 386.496 3.561 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)cc1 ZINC001204300751 1032743639 /nfs/dbraw/zinc/74/36/39/1032743639.db2.gz JYCCKMOOCOXXNO-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)cc1 ZINC001204301326 1032745424 /nfs/dbraw/zinc/74/54/24/1032745424.db2.gz WHXISQVARYYRHN-UHFFFAOYSA-N 1 0 391.515 3.775 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C2 ZINC001228042907 1032750201 /nfs/dbraw/zinc/75/02/01/1032750201.db2.gz JLOVTOQKRJGTAJ-GOTSBHOMSA-N 1 0 388.515 3.552 20 30 GHEDRO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000562573350 1018334519 /nfs/dbraw/zinc/33/45/19/1018334519.db2.gz SIMUUUUXBROQLO-UHFFFAOYSA-N 1 0 378.524 3.710 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)COC1CC[NH+](C)CC1 ZINC000932481280 1018344236 /nfs/dbraw/zinc/34/42/36/1018344236.db2.gz SYJSINAQAHTVEW-UHFFFAOYSA-N 1 0 395.478 3.650 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]3Cn3cnc4ccccc43)C2=O)cc1 ZINC000562620198 1018414530 /nfs/dbraw/zinc/41/45/30/1018414530.db2.gz QLEIWKMMDVXFTQ-OFNKIYASSA-N 1 0 399.498 3.568 20 30 GHEDRO N#CC[C@H](NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000932909438 1018746781 /nfs/dbraw/zinc/74/67/81/1018746781.db2.gz FFOCBEMPLZKURQ-KRWDZBQOSA-N 1 0 394.441 3.529 20 30 GHEDRO FC1(F)[C@H]2CN(Cc3cn4ccccc4n3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944348 1018773827 /nfs/dbraw/zinc/77/38/27/1018773827.db2.gz UJKHCHGCEGAKPQ-QWRGUYRKSA-N 1 0 399.285 3.937 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000562932123 1018887586 /nfs/dbraw/zinc/88/75/86/1018887586.db2.gz BDWMTIPTCZAMFX-WIYYLYMNSA-N 1 0 394.544 3.816 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OCC)c(OC)c3)C2)C1 ZINC001204358187 1032793247 /nfs/dbraw/zinc/79/32/47/1032793247.db2.gz ITAGJAMIRQBJNV-JOCHJYFZSA-N 1 0 388.508 3.704 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000565088517 1019150744 /nfs/dbraw/zinc/15/07/44/1019150744.db2.gz JCJSFWXIYGWMTF-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C2(C1)CCOCC2 ZINC001204371194 1032813946 /nfs/dbraw/zinc/81/39/46/1032813946.db2.gz SVQZWMSHDFBESG-OAQYLSRUSA-N 1 0 393.462 3.565 20 30 GHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)c1ccco1 ZINC001228192841 1032832635 /nfs/dbraw/zinc/83/26/35/1032832635.db2.gz ZLTXNWKOEINYDA-APWZRJJASA-N 1 0 382.508 3.901 20 30 GHEDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2=O)cc1 ZINC000571576887 1019688158 /nfs/dbraw/zinc/68/81/58/1019688158.db2.gz LTMZATTWFUEFSR-IBGZPJMESA-N 1 0 387.405 3.776 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)cc2)cs1 ZINC000574251849 1019856974 /nfs/dbraw/zinc/85/69/74/1019856974.db2.gz NLSRQSZMOFFORZ-UHFFFAOYSA-N 1 0 397.525 3.554 20 30 GHEDRO C=CCc1cc(OC)c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C(=O)OC)c1 ZINC001228244930 1032860306 /nfs/dbraw/zinc/86/03/06/1032860306.db2.gz LORNXDRGRAUONB-LJQANCHMSA-N 1 0 381.472 3.864 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000047010976 1019940258 /nfs/dbraw/zinc/94/02/58/1019940258.db2.gz UMIIPGUXGRARPQ-UHFFFAOYSA-N 1 0 391.393 3.661 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000576471568 1020018755 /nfs/dbraw/zinc/01/87/55/1020018755.db2.gz OXNJWVKFUULIQV-SFHVURJKSA-N 1 0 392.551 3.783 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000576471567 1020018917 /nfs/dbraw/zinc/01/89/17/1020018917.db2.gz OXNJWVKFUULIQV-GOSISDBHSA-N 1 0 392.551 3.783 20 30 GHEDRO Cc1ccc(N2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC000778984252 1020130257 /nfs/dbraw/zinc/13/02/57/1020130257.db2.gz COMOFZPPRHLYBJ-UHFFFAOYSA-N 1 0 385.515 3.980 20 30 GHEDRO CC[C@@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000577168777 1020139859 /nfs/dbraw/zinc/13/98/59/1020139859.db2.gz OULGOYALCWAHNU-MRXNPFEDSA-N 1 0 382.512 3.630 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000601238290 1020319398 /nfs/dbraw/zinc/31/93/98/1020319398.db2.gz URVWAGKGHZCHMI-UHFFFAOYSA-N 1 0 397.548 3.944 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1OC ZINC000628253610 1020682968 /nfs/dbraw/zinc/68/29/68/1020682968.db2.gz PVCMIBMMTLFMFO-MRXNPFEDSA-N 1 0 394.943 3.599 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190610323 1020707161 /nfs/dbraw/zinc/70/71/61/1020707161.db2.gz VNPRQTFMJIJCNW-VGSWGCGISA-N 1 0 377.488 3.799 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)n2ccc3cc(N4CC[NH2+]CC4)ccc32)c1 ZINC001156215526 1032925937 /nfs/dbraw/zinc/92/59/37/1032925937.db2.gz PANFSZYYZFDWLO-UHFFFAOYSA-N 1 0 387.821 3.569 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000192023282 1020841268 /nfs/dbraw/zinc/84/12/68/1020841268.db2.gz FBXJHEFVFPHQGF-QHAWAJNXSA-N 1 0 395.890 3.827 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192039483 1020842434 /nfs/dbraw/zinc/84/24/34/1020842434.db2.gz IDDFUHHRHLDZEW-APWZRJJASA-N 1 0 390.270 3.923 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000247136521 1021079342 /nfs/dbraw/zinc/07/93/42/1021079342.db2.gz RYXQUZNESVXQNB-VQTJNVASSA-N 1 0 397.592 3.564 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000247189147 1021079930 /nfs/dbraw/zinc/07/99/30/1021079930.db2.gz YHJKQHAGILLLTA-BBTUJRGHSA-N 1 0 377.488 3.785 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1 ZINC001228493047 1032957541 /nfs/dbraw/zinc/95/75/41/1032957541.db2.gz XMWDINKACZSTAL-JOCHJYFZSA-N 1 0 376.504 3.754 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2[nH]nc3ccc(C)cc32)CC1 ZINC001140333709 1021431541 /nfs/dbraw/zinc/43/15/41/1021431541.db2.gz NLQINPMNELWKGQ-UHFFFAOYSA-N 1 0 376.460 3.795 20 30 GHEDRO COc1cc(OC)c(C[C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(OC)c1 ZINC000834881516 1021605224 /nfs/dbraw/zinc/60/52/24/1021605224.db2.gz RUFFYCSTSBVEFY-HZPDHXFCSA-N 1 0 384.476 3.897 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000834904378 1021656856 /nfs/dbraw/zinc/65/68/56/1021656856.db2.gz PCVOAOAAHYPEQR-ICSRJNTNSA-N 1 0 385.508 3.551 20 30 GHEDRO COC(=O)COc1ccccc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001140425970 1021667861 /nfs/dbraw/zinc/66/78/61/1021667861.db2.gz UPMFEIAUXPFXQP-UHFFFAOYSA-N 1 0 378.472 3.565 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCC[C@@H](CO)CC2)c2cc(C#N)ccc21 ZINC001140437629 1021705554 /nfs/dbraw/zinc/70/55/54/1021705554.db2.gz MKZFNGFFFCZJLW-MRXNPFEDSA-N 1 0 383.492 3.891 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c2cc(C#N)ccc21 ZINC001140437873 1021707235 /nfs/dbraw/zinc/70/72/35/1021707235.db2.gz RQOLIPOZOJMCHY-JOCHJYFZSA-N 1 0 381.476 3.909 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140439120 1021710579 /nfs/dbraw/zinc/71/05/79/1021710579.db2.gz YHIZDMARUSZDOI-SFHVURJKSA-N 1 0 382.508 3.822 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccccc2-c2nccs2)CC1 ZINC001140454326 1021742920 /nfs/dbraw/zinc/74/29/20/1021742920.db2.gz BMRZEARACAIWQZ-UHFFFAOYSA-N 1 0 382.577 3.602 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CCC(CC#N)CC3)cc2)CC1 ZINC001140481206 1021782936 /nfs/dbraw/zinc/78/29/36/1021782936.db2.gz JNIMXUPSAIUYLS-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO C=CCc1cc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc(OC)c1O ZINC000678144326 1021908969 /nfs/dbraw/zinc/90/89/69/1021908969.db2.gz DRCXDTXYPUVQDF-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(Cl)ccc3N)C[C@@H]2c2ccccc2)C1=O ZINC001140713689 1022346348 /nfs/dbraw/zinc/34/63/48/1022346348.db2.gz CFPSIMOLABLAFD-OFNKIYASSA-N 1 0 395.934 3.926 20 30 GHEDRO N#CCSCC(=O)OC[C@@]1(c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000835751654 1022348669 /nfs/dbraw/zinc/34/86/69/1022348669.db2.gz YXCXBCSTTCEXFC-JOCHJYFZSA-N 1 0 380.513 3.978 20 30 GHEDRO N#Cc1c(F)cc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)cc1F ZINC001140756810 1022446697 /nfs/dbraw/zinc/44/66/97/1022446697.db2.gz BPZMPGCGVVLAMY-UHFFFAOYSA-N 1 0 383.446 3.509 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccc(C#N)c1Cl)C2 ZINC001140810154 1022593561 /nfs/dbraw/zinc/59/35/61/1022593561.db2.gz WMXSGSKRKQMJRY-ALXJQNPVSA-N 1 0 375.900 3.947 20 30 GHEDRO CC[C@H]1[N@H+](Cc2cccc(C#N)c2Cl)CCC[C@]12CCC(=O)N2CCOC ZINC001140813255 1022609865 /nfs/dbraw/zinc/60/98/65/1022609865.db2.gz AREZYHCAUCIUNB-NQIIRXRSSA-N 1 0 389.927 3.594 20 30 GHEDRO Cc1c(C[NH+]2CCC(C#Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC001140848312 1022690574 /nfs/dbraw/zinc/69/05/74/1022690574.db2.gz NUOMESHRMPTTSY-UHFFFAOYSA-N 1 0 385.511 3.748 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3cc(C(F)(F)F)c(C#N)cc3N)cc2)CC1 ZINC001204766104 1033077870 /nfs/dbraw/zinc/07/78/70/1033077870.db2.gz VNJBTGGCKREBLQ-UHFFFAOYSA-N 1 0 389.425 3.650 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000754730427 1022863487 /nfs/dbraw/zinc/86/34/87/1022863487.db2.gz OIEFKUSSXIGFQL-UHFFFAOYSA-N 1 0 390.524 3.866 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](N=Cc3cc4ccccc4[nH]c3=O)C2)cc(OC)c1 ZINC000755031666 1023032766 /nfs/dbraw/zinc/03/27/66/1023032766.db2.gz LUCAZYJXLUQPLX-HTAGGTJDSA-N 1 0 391.471 3.651 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc(-c3ncccn3)c1)CC2 ZINC001140978497 1023068833 /nfs/dbraw/zinc/06/88/33/1023068833.db2.gz WXXYCDHMMVWPTK-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001140978972 1023070471 /nfs/dbraw/zinc/07/04/71/1023070471.db2.gz VOYPJIFFUBCSSO-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2-n2ccc3cc(C[NH3+])cnc32)c1 ZINC001156609066 1033130596 /nfs/dbraw/zinc/13/05/96/1033130596.db2.gz MIYALDQVDYRKCF-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sc(N)c(C#N)c1Cl ZINC001141114085 1023530527 /nfs/dbraw/zinc/53/05/27/1023530527.db2.gz DOOSLQCYJFZBAL-YOGCLGLASA-N 1 0 396.944 3.875 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3nc4ccccc4cc3C#N)C2)cc(OC)c1 ZINC000756134784 1023532217 /nfs/dbraw/zinc/53/22/17/1023532217.db2.gz PPWRVMJUYZZFTL-IBGZPJMESA-N 1 0 388.471 3.810 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(F)cc3C#N)C[C@H]21 ZINC001141164834 1023992402 /nfs/dbraw/zinc/99/24/02/1023992402.db2.gz KZJCRPYDSHGJFP-CDNPAEQRSA-N 1 0 378.495 3.825 20 30 GHEDRO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001141164759 1023992669 /nfs/dbraw/zinc/99/26/69/1023992669.db2.gz JPFQPIJBWMSJBV-HSZRJFAPSA-N 1 0 375.447 3.598 20 30 GHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)Cc2ccc(F)cc2C#N)CC1 ZINC001141164561 1023992764 /nfs/dbraw/zinc/99/27/64/1023992764.db2.gz BNBZCZOSWDFDPK-UHFFFAOYSA-N 1 0 397.494 3.811 20 30 GHEDRO CC1(C)CCc2cc(C[N@@H+]3CCCN(c4ccc(C#N)cn4)CC3)ccc2O1 ZINC001141183776 1024034581 /nfs/dbraw/zinc/03/45/81/1024034581.db2.gz UHUTYRQVDRYTGI-UHFFFAOYSA-N 1 0 376.504 3.769 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1C ZINC000830952660 1024271206 /nfs/dbraw/zinc/27/12/06/1024271206.db2.gz BIYZHUQRBCZVBO-BHDDXSALSA-N 1 0 383.536 3.566 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CCN(CC[NH+]4CCCC4)CC3)cc2)cc1 ZINC001141295523 1024432176 /nfs/dbraw/zinc/43/21/76/1024432176.db2.gz DTBIECLTUYMTOP-UHFFFAOYSA-N 1 0 390.531 3.564 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H](NC(=O)C4CC4)C3)cc2)cc1 ZINC001141298337 1024443758 /nfs/dbraw/zinc/44/37/58/1024443758.db2.gz OMPJQASLPNDLDX-HXUWFJFHSA-N 1 0 375.472 3.841 20 30 GHEDRO C#CCOc1ccc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)cc1OC ZINC001138346212 1024706809 /nfs/dbraw/zinc/70/68/09/1024706809.db2.gz YORPWXYENVIACI-UHFFFAOYSA-N 1 0 378.516 3.804 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)cc1OC ZINC001138347072 1024707961 /nfs/dbraw/zinc/70/79/61/1024707961.db2.gz SJPSRYKHJLVPEA-DEOSSOPVSA-N 1 0 391.467 3.549 20 30 GHEDRO C#CCOc1ccc(CN(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001138347793 1024710495 /nfs/dbraw/zinc/71/04/95/1024710495.db2.gz FCEAMFXUAIACIG-JOCHJYFZSA-N 1 0 378.516 3.804 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1OC ZINC001138349171 1024712660 /nfs/dbraw/zinc/71/26/60/1024712660.db2.gz UDPRUFCYUWHESX-UHFFFAOYSA-N 1 0 393.483 3.811 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000837847818 1024749525 /nfs/dbraw/zinc/74/95/25/1024749525.db2.gz WZZMRKXWSYBVQR-UHFFFAOYSA-N 1 0 387.524 3.857 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000831893929 1024982907 /nfs/dbraw/zinc/98/29/07/1024982907.db2.gz JZMLXFVRMYOYAY-ICSRJNTNSA-N 1 0 377.488 3.871 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cncn1Cc1ccccc1)C2 ZINC001138562301 1025028250 /nfs/dbraw/zinc/02/82/50/1025028250.db2.gz NGBSKXPREAQRGL-DHIUTWEWSA-N 1 0 381.520 3.505 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000831993113 1025099225 /nfs/dbraw/zinc/09/92/25/1025099225.db2.gz PMURCJXWYDOVQP-IBGZPJMESA-N 1 0 384.524 3.811 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1O ZINC001138628770 1025130512 /nfs/dbraw/zinc/13/05/12/1025130512.db2.gz ZXRBUXBLOCZNAK-QHCPKHFHSA-N 1 0 380.463 3.889 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001138661214 1025180464 /nfs/dbraw/zinc/18/04/64/1025180464.db2.gz PMNKSQBGSPHRKA-NZQKXSOJSA-N 1 0 382.504 3.567 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000832054250 1025186774 /nfs/dbraw/zinc/18/67/74/1025186774.db2.gz HFECKRCBXUSULQ-QAPCUYQASA-N 1 0 391.309 3.828 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(CC1)c1ncc(C)n1CCN2C ZINC001138664746 1025187440 /nfs/dbraw/zinc/18/74/40/1025187440.db2.gz WMTYCSFRMWNVJC-UHFFFAOYSA-N 1 0 380.536 3.583 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001138666162 1025188958 /nfs/dbraw/zinc/18/89/58/1025188958.db2.gz KPSZXZGWHROKEQ-UHFFFAOYSA-N 1 0 390.487 3.584 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000832225108 1025349520 /nfs/dbraw/zinc/34/95/20/1025349520.db2.gz NPNPFAAKRFRARM-UHFFFAOYSA-N 1 0 378.476 3.694 20 30 GHEDRO COc1ccc(-c2nc(CN3CC[NH+](C[C@H](C)CCC#N)CC3)cs2)cc1 ZINC001205169422 1033282015 /nfs/dbraw/zinc/28/20/15/1033282015.db2.gz DUEUJWUXJMDLKM-QGZVFWFLSA-N 1 0 384.549 3.876 20 30 GHEDRO N#Cc1nc(Cl)cnc1N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001162054154 1025568397 /nfs/dbraw/zinc/56/83/97/1025568397.db2.gz LIGQCPXAUURXMW-UHFFFAOYSA-N 1 0 395.816 3.561 20 30 GHEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000839096412 1025595238 /nfs/dbraw/zinc/59/52/38/1025595238.db2.gz ULMWKGZKKNMQBD-WMZOPIPTSA-N 1 0 377.533 3.685 20 30 GHEDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000839145786 1025640656 /nfs/dbraw/zinc/64/06/56/1025640656.db2.gz TUNFMQPKMBEDJY-LPHOPBHVSA-N 1 0 385.471 3.620 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162196772 1025662683 /nfs/dbraw/zinc/66/26/83/1025662683.db2.gz FCYJMYTUNDJLSP-WKILWMFISA-N 1 0 391.853 3.823 20 30 GHEDRO N#CC1(c2ccccc2)CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1 ZINC001139053107 1025841832 /nfs/dbraw/zinc/84/18/32/1025841832.db2.gz SRDAINPBIULNGX-UHFFFAOYSA-N 1 0 375.516 3.576 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC001139073431 1025874967 /nfs/dbraw/zinc/87/49/67/1025874967.db2.gz HHCRVOJLEWTVGM-FQEVSTJZSA-N 1 0 376.884 3.602 20 30 GHEDRO C[NH+](C)C[C@@H](Nc1nc2c(cc1C#N)COCC2)C12CC3CC(CC(C3)C1)C2 ZINC001162816642 1025929239 /nfs/dbraw/zinc/92/92/39/1025929239.db2.gz DVLHCJPYICPSOY-YYAZDPENSA-N 1 0 380.536 3.584 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)Nc1cc(N)c(C)c[nH+]1 ZINC001162840106 1025936156 /nfs/dbraw/zinc/93/61/56/1025936156.db2.gz LSIYODWQBQOBQI-LJQANCHMSA-N 1 0 383.492 3.902 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001461048209 1069360014 /nfs/dbraw/zinc/36/00/14/1069360014.db2.gz OVJNEJRNHJLPFK-HZPDHXFCSA-N 1 0 379.342 3.814 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC001139208310 1026057287 /nfs/dbraw/zinc/05/72/87/1026057287.db2.gz SIVLSFFOGIHVBA-UHFFFAOYSA-N 1 0 386.521 3.692 20 30 GHEDRO COc1cc(C(F)(F)n2cnc(-c3ccc(C[NH3+])cc3)c2)c(C#N)c(Cl)n1 ZINC001163218533 1026091156 /nfs/dbraw/zinc/09/11/56/1026091156.db2.gz OFAVOYPJEKNPAS-UHFFFAOYSA-N 1 0 389.793 3.535 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001139250344 1026101177 /nfs/dbraw/zinc/10/11/77/1026101177.db2.gz RBBVXBGLKOPVLL-UHFFFAOYSA-N 1 0 392.547 3.666 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163279834 1026122568 /nfs/dbraw/zinc/12/25/68/1026122568.db2.gz PKYOIFCREUKNDM-BEFAXECRSA-N 1 0 377.992 3.535 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1 ZINC001141659488 1026136662 /nfs/dbraw/zinc/13/66/62/1026136662.db2.gz PSTWXOXFIDMVAW-INIZCTEOSA-N 1 0 390.325 3.545 20 30 GHEDRO Cc1nc(C#Cc2ccnc(NCC3([NH3+])CCC3)c2)c(C)n1-c1ccc(F)cc1 ZINC001163321066 1026144854 /nfs/dbraw/zinc/14/48/54/1026144854.db2.gz LSFGJVCQGQIXNX-UHFFFAOYSA-N 1 0 389.478 3.716 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1ccc2c(C#N)c[nH]c2n1)c1ccc(Cl)cc1 ZINC001163384455 1026169405 /nfs/dbraw/zinc/16/94/05/1026169405.db2.gz HEDNSNVJIIINRV-GOSISDBHSA-N 1 0 383.883 3.819 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)nc2)C1 ZINC001139345763 1026211967 /nfs/dbraw/zinc/21/19/67/1026211967.db2.gz ZFBLXZXPEIAJHM-OAQYLSRUSA-N 1 0 376.504 3.987 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@H]4CN(c5ccccc5)C(=O)[C@H]4C3)cc2)c1 ZINC001139403237 1026274895 /nfs/dbraw/zinc/27/48/95/1026274895.db2.gz MEBVGYIXYQCTMH-GMAHTHKFSA-N 1 0 394.478 3.715 20 30 GHEDRO CC(C)CC(=O)NC1CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139407302 1026280839 /nfs/dbraw/zinc/28/08/39/1026280839.db2.gz WUVFSQBHLZINHU-UHFFFAOYSA-N 1 0 376.504 3.747 20 30 GHEDRO [NH2+]=C(Nc1ccc2nnc(-c3ccccn3)n2c1)c1ccc(C(F)(F)F)cc1 ZINC001163685978 1026283751 /nfs/dbraw/zinc/28/37/51/1026283751.db2.gz YQWRKMGGPSAKOI-UHFFFAOYSA-N 1 0 382.349 3.847 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH+](CCc4ccncc4)CC3)cn2)cc1 ZINC001139425259 1026296420 /nfs/dbraw/zinc/29/64/20/1026296420.db2.gz HJSGKCBOENUIDL-UHFFFAOYSA-N 1 0 399.498 3.501 20 30 GHEDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139424983 1026296963 /nfs/dbraw/zinc/29/69/63/1026296963.db2.gz XSCRCCIZEYNSQH-HXUWFJFHSA-N 1 0 392.503 3.826 20 30 GHEDRO CC(C)c1nc(CC[N@H+](C)Cc2ccc(Oc3ccc(C#N)cc3)nc2)no1 ZINC001139426814 1026297679 /nfs/dbraw/zinc/29/76/79/1026297679.db2.gz NFMPSFLWDVNENS-UHFFFAOYSA-N 1 0 377.448 3.926 20 30 GHEDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139427755 1026298163 /nfs/dbraw/zinc/29/81/63/1026298163.db2.gz QOCUOWNNSLGGES-FHWLQOOXSA-N 1 0 377.444 3.519 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(C#N)c(F)c4)C3)C2=O)c1 ZINC001139528315 1026386386 /nfs/dbraw/zinc/38/63/86/1026386386.db2.gz NFNYPCHMUPJTAM-QHCPKHFHSA-N 1 0 377.463 3.630 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1F ZINC001139528437 1026386860 /nfs/dbraw/zinc/38/68/60/1026386860.db2.gz SJBWSWWOSQBZBC-IRLDBZIGSA-N 1 0 381.451 3.542 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139531243 1026389034 /nfs/dbraw/zinc/38/90/34/1026389034.db2.gz SDZWKAFRZZEANZ-GOSISDBHSA-N 1 0 391.487 3.545 20 30 GHEDRO CN(C)c1ccc([C@H](CNc2nc(C(F)(F)F)ccc2C#N)[NH+](C)C)cc1 ZINC001164317825 1026483925 /nfs/dbraw/zinc/48/39/25/1026483925.db2.gz JBQAVGJXWIVJML-INIZCTEOSA-N 1 0 377.414 3.753 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3cccc(CC#N)c3F)CC2)cc1 ZINC001164333931 1026488116 /nfs/dbraw/zinc/48/81/16/1026488116.db2.gz JAUVMQFGQFQACK-UHFFFAOYSA-N 1 0 382.483 3.525 20 30 GHEDRO COC(OC)c1c(C#N)ccnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164486387 1026526262 /nfs/dbraw/zinc/52/62/62/1026526262.db2.gz NMJPAMPSGKZHOE-SLFFLAALSA-N 1 0 392.503 3.567 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)cc1C#N ZINC001139723827 1026565653 /nfs/dbraw/zinc/56/56/53/1026565653.db2.gz HOGNQNXYAAOSES-FYYLOGMGSA-N 1 0 395.478 3.851 20 30 GHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CCC[N@H+]1C ZINC001164611329 1026567699 /nfs/dbraw/zinc/56/76/99/1026567699.db2.gz OAXYEWDHGWYKGT-HNNXBMFYSA-N 1 0 378.929 3.883 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCOCC3)C2)cc1C#N ZINC001139725295 1026568658 /nfs/dbraw/zinc/56/86/58/1026568658.db2.gz KCUCEOLOUYGEBE-DNQXCXABSA-N 1 0 398.547 3.681 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(C)c(Br)c1)CC2 ZINC001139728073 1026571902 /nfs/dbraw/zinc/57/19/02/1026571902.db2.gz AKYWKZQZWRCWIT-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)nc1Cl ZINC001165088657 1026598230 /nfs/dbraw/zinc/59/82/30/1026598230.db2.gz SATRDSXUVVOSPH-IRXDYDNUSA-N 1 0 388.849 3.862 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001139865571 1026679251 /nfs/dbraw/zinc/67/92/51/1026679251.db2.gz LWHUDSAGDUHITH-UHFFFAOYSA-N 1 0 380.536 3.856 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC001139874689 1026690545 /nfs/dbraw/zinc/69/05/45/1026690545.db2.gz ILXJINJNTKBLAJ-DHIUTWEWSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1 ZINC001139875220 1026692190 /nfs/dbraw/zinc/69/21/90/1026692190.db2.gz VYILJKNZGUZYOW-OAQYLSRUSA-N 1 0 385.389 3.605 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c1 ZINC001139877064 1026693792 /nfs/dbraw/zinc/69/37/92/1026693792.db2.gz WFSMSMIIMPHCRT-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO COCCC[N@H+](Cc1cc(F)cc(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139879303 1026696043 /nfs/dbraw/zinc/69/60/43/1026696043.db2.gz JKAYFXRVHHFQSL-LJQANCHMSA-N 1 0 391.487 3.545 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCCC[C@H]3C3CC[NH2+]CC3)nn2)cc1 ZINC001165319740 1026702694 /nfs/dbraw/zinc/70/26/94/1026702694.db2.gz KWPMTTNRJFMYNX-IRLDBZIGSA-N 1 0 375.520 3.799 20 30 GHEDRO N#Cc1cnc(Cl)cc1N(c1cccc(F)c1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001165476582 1026738292 /nfs/dbraw/zinc/73/82/92/1026738292.db2.gz CFNKACPBLHQLJT-FXAWDEMLSA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1cnc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001165480805 1026742833 /nfs/dbraw/zinc/74/28/33/1026742833.db2.gz PPROEHNEDVDDNZ-FXAWDEMLSA-N 1 0 386.858 3.795 20 30 GHEDRO C=CC[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001165745068 1026817134 /nfs/dbraw/zinc/81/71/34/1026817134.db2.gz RUULEAUUJRFCHS-SFHVURJKSA-N 1 0 375.944 3.667 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(C[C@@H](Oc5cccnc5)CO4)CC3)c2c1 ZINC001140112109 1026893050 /nfs/dbraw/zinc/89/30/50/1026893050.db2.gz IEVIFYRIIQQUIO-HXUWFJFHSA-N 1 0 388.471 3.637 20 30 GHEDRO CCOCc1nn(CC2CC2)c2c1CN(Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001140112544 1026893103 /nfs/dbraw/zinc/89/31/03/1026893103.db2.gz OSODROXIKKGEMW-UHFFFAOYSA-N 1 0 389.503 3.741 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(CC(=O)N(c5ccsc5)C4)C3)c2c1 ZINC001140112593 1026893638 /nfs/dbraw/zinc/89/36/38/1026893638.db2.gz BMRDEFQDKSLHPM-OAQYLSRUSA-N 1 0 376.485 3.730 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c(F)c1 ZINC001140138036 1026912045 /nfs/dbraw/zinc/91/20/45/1026912045.db2.gz DFRSUKSTVFCJEE-GOTSBHOMSA-N 1 0 395.478 3.680 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1C ZINC001140159220 1026932711 /nfs/dbraw/zinc/93/27/11/1026932711.db2.gz WGOMBRHJZXZKTH-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(-c4ccncc4)cc3)C2)CC1 ZINC001140167379 1026941307 /nfs/dbraw/zinc/94/13/07/1026941307.db2.gz CGMVLSAHOHIQGW-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(Br)c[nH]3)CC2)C1=O ZINC001276668012 1027141937 /nfs/dbraw/zinc/14/19/37/1027141937.db2.gz PIUNSDPDSAHYSQ-SFHVURJKSA-N 1 0 380.330 3.558 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840086216 1027164619 /nfs/dbraw/zinc/16/46/19/1027164619.db2.gz LJCVLEOWJHGNSK-JOCHJYFZSA-N 1 0 397.592 3.566 20 30 GHEDRO CCCOc1cc(Nc2cccnc2C#N)ccc1C(=O)OCC[NH+](CC)CC ZINC001210148575 1027359584 /nfs/dbraw/zinc/35/95/84/1027359584.db2.gz MWYDGQYSVNMWFE-UHFFFAOYSA-N 1 0 396.491 3.984 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncccc2Nc2ccc(O)c(C#N)c2)C1 ZINC001210530612 1027546331 /nfs/dbraw/zinc/54/63/31/1027546331.db2.gz JMWLPGLYMIRUMN-MRXNPFEDSA-N 1 0 395.463 3.506 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c(C)c1 ZINC001203732670 1027560450 /nfs/dbraw/zinc/56/04/50/1027560450.db2.gz VGERPDYDRDJZFY-XMMPIXPASA-N 1 0 390.531 3.689 20 30 GHEDRO N#Cc1cccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001203756973 1027579801 /nfs/dbraw/zinc/57/98/01/1027579801.db2.gz GGFOJRYBSVNEKX-ZEQRLZLVSA-N 1 0 379.548 3.519 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)c1 ZINC001203758446 1027582396 /nfs/dbraw/zinc/58/23/96/1027582396.db2.gz YKXWOJFTZJODEV-ISKFKSNPSA-N 1 0 389.499 3.502 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)c1 ZINC001203762977 1027585999 /nfs/dbraw/zinc/58/59/99/1027585999.db2.gz YKXWOJFTZJODEV-LADGPHEKSA-N 1 0 389.499 3.502 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(OCC(F)(F)F)cc3)cc2C#N)CC1 ZINC001210743273 1027633178 /nfs/dbraw/zinc/63/31/78/1027633178.db2.gz PZZITKOVZULISJ-UHFFFAOYSA-N 1 0 390.409 3.995 20 30 GHEDRO CCOC(=O)CCCc1ccc(C#N)cc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001210758377 1027640090 /nfs/dbraw/zinc/64/00/90/1027640090.db2.gz MPCCMGJYYXEYOY-UHFFFAOYSA-N 1 0 395.507 3.651 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)cc1 ZINC001203901011 1027692890 /nfs/dbraw/zinc/69/28/90/1027692890.db2.gz CMBGLWJLNNMBLZ-NRFANRHFSA-N 1 0 377.488 3.651 20 30 GHEDRO N#Cc1ccc(C[N@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)cc1 ZINC001203901033 1027695016 /nfs/dbraw/zinc/69/50/16/1027695016.db2.gz DORRJTFMLMZULM-OAQYLSRUSA-N 1 0 393.462 3.565 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)cc1 ZINC001203905829 1027698318 /nfs/dbraw/zinc/69/83/18/1027698318.db2.gz DTBVGANBQZYQHB-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO CSc1nc(CN2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)ccc1C#N ZINC001141934644 1027700203 /nfs/dbraw/zinc/70/02/03/1027700203.db2.gz SGBJITPFXQKJFB-PMACEKPBSA-N 1 0 378.545 3.547 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001210971511 1027729213 /nfs/dbraw/zinc/72/92/13/1027729213.db2.gz VTKFYCDJBGQSHR-HXHBTQRASA-N 1 0 385.552 3.697 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](Cc2nccs2)C1)C(C)C ZINC001211221482 1027842488 /nfs/dbraw/zinc/84/24/88/1027842488.db2.gz FDTVJUYWFOWVHM-OALUTQOASA-N 1 0 390.597 3.806 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@@H](C2CCOCC2)C1)C(C)C ZINC001211223165 1027844046 /nfs/dbraw/zinc/84/40/46/1027844046.db2.gz RXSXKVHBZQYDLS-FGZHOGPDSA-N 1 0 391.600 3.923 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)cc1 ZINC000840959029 1027992171 /nfs/dbraw/zinc/99/21/71/1027992171.db2.gz OLWVRXORVRATQZ-KUHUBIRLSA-N 1 0 389.293 3.905 20 30 GHEDRO CCCCCCCCCN(C)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841021810 1028046316 /nfs/dbraw/zinc/04/63/16/1028046316.db2.gz GTUSLTABYBKBAX-UHFFFAOYSA-N 1 0 377.504 3.619 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000841085400 1028109141 /nfs/dbraw/zinc/10/91/41/1028109141.db2.gz BDFCCDFCLYXSCG-SJCJKPOMSA-N 1 0 390.365 3.731 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(C(=O)OC(C)(C)C)cc1)CC2 ZINC001142192533 1028332451 /nfs/dbraw/zinc/33/24/51/1028332451.db2.gz LUATVCMYRWLLNT-UHFFFAOYSA-N 1 0 384.520 3.785 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc3c(c2)OCCCO3)CC1 ZINC001142271953 1028541414 /nfs/dbraw/zinc/54/14/14/1028541414.db2.gz YQTJSHVQQDWMHK-UHFFFAOYSA-N 1 0 394.471 3.772 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001214965575 1028979791 /nfs/dbraw/zinc/97/97/91/1028979791.db2.gz UNEFAWDFFIBOPH-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC000842676731 1029482614 /nfs/dbraw/zinc/48/26/14/1029482614.db2.gz JOWRQNGNPOWTPW-IPMKNSEASA-N 1 0 385.508 3.714 20 30 GHEDRO CC[NH+]1CCN(Cc2ccccc2-c2nc(-c3ccc(C#N)c(C)c3)no2)CC1 ZINC001216453448 1029644067 /nfs/dbraw/zinc/64/40/67/1029644067.db2.gz QKUKBFCOGUMVBW-UHFFFAOYSA-N 1 0 387.487 3.721 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001142900086 1029660937 /nfs/dbraw/zinc/66/09/37/1029660937.db2.gz GIRWVDSLKKRJCK-SFTDATJTSA-N 1 0 395.453 3.918 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CCC[C@H](c4noc(C(F)(F)F)n4)C3)c[nH]c2c1 ZINC001142921676 1029696874 /nfs/dbraw/zinc/69/68/74/1029696874.db2.gz SAVAFOKEBMTJNI-LBPRGKRZSA-N 1 0 375.354 3.821 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CCC[C@@]4(C[C@@H](Oc5ccccn5)CO4)C3)c[nH]c2c1 ZINC001142929193 1029710772 /nfs/dbraw/zinc/71/07/72/1029710772.db2.gz ZNMGLMMRABEVCQ-AUSIDOKSSA-N 1 0 388.471 3.637 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@@H]21 ZINC001143170643 1029880627 /nfs/dbraw/zinc/88/06/27/1029880627.db2.gz JEOCCFXFQOKVSP-LQBOVUBWSA-N 1 0 396.485 3.964 20 30 GHEDRO Cc1ccc(-c2noc(-c3cccc(NC(=O)[C@@H]4C[C@H](S)C[NH2+]4)c3)n2)cc1C ZINC001216718718 1029904357 /nfs/dbraw/zinc/90/43/57/1029904357.db2.gz ZWHNXYKJEBQVHI-ROUUACIJSA-N 1 0 394.500 3.619 20 30 GHEDRO C[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@H+](C)Cc1ccccc1 ZINC001221967866 1029910758 /nfs/dbraw/zinc/91/07/58/1029910758.db2.gz OWDAKFJNEUEWSI-SFHVURJKSA-N 1 0 376.504 3.757 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000843437003 1030010366 /nfs/dbraw/zinc/01/03/66/1030010366.db2.gz TUHNEYCGAUPYBW-SFHVURJKSA-N 1 0 395.507 3.618 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4cc(C#N)ccc4Cl)n3)c2)CC1 ZINC001216974978 1030045223 /nfs/dbraw/zinc/04/52/23/1030045223.db2.gz KSSVHOBITVKQOG-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4cc(Cl)cc(C#N)c4)n3)c2)CC1 ZINC001216985040 1030052749 /nfs/dbraw/zinc/05/27/49/1030052749.db2.gz DJQGMPXZJGRTFX-UHFFFAOYSA-N 1 0 393.878 3.676 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)CC1 ZINC001222375515 1030095171 /nfs/dbraw/zinc/09/51/71/1030095171.db2.gz JDCBRKWCYUYKLO-IBGZPJMESA-N 1 0 375.516 3.604 20 30 GHEDRO C[C@@H]([C@H](OCc1nc(-c2ccnc(C#N)c2)no1)c1ccccc1)[NH+]1CCCC1 ZINC001222803441 1030314325 /nfs/dbraw/zinc/31/43/25/1030314325.db2.gz BKUAJJBIIKNREW-KKSFZXQISA-N 1 0 389.459 3.745 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC001150140844 1030422849 /nfs/dbraw/zinc/42/28/49/1030422849.db2.gz JBKFYWPZDCGZKL-UEVCKROQSA-N 1 0 375.516 3.786 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4cccc5c(C#N)c[nH]c54)n3)c2)CC1 ZINC001217673899 1030592513 /nfs/dbraw/zinc/59/25/13/1030592513.db2.gz IFGCCQRRDRZYAB-UHFFFAOYSA-N 1 0 398.470 3.504 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC001223545588 1030630048 /nfs/dbraw/zinc/63/00/48/1030630048.db2.gz FRQDOIQPZVBYGG-NRFANRHFSA-N 1 0 396.922 3.890 20 30 GHEDRO CC(C)(C)OC(=O)c1ccccc1-c1ccc(CO[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC001217829811 1030658831 /nfs/dbraw/zinc/65/88/31/1030658831.db2.gz APAAWYXDOVBHGK-GHTZIAJQSA-N 1 0 378.472 3.937 20 30 GHEDRO N#C[C@@H](OC[C@@H]1CC[C@]2(C[NH2+]CCOC2)O1)c1cccc(Oc2ccccc2)c1 ZINC001217870397 1030665321 /nfs/dbraw/zinc/66/53/21/1030665321.db2.gz NGINCNPHWCYOBP-YTFSRNRJSA-N 1 0 394.471 3.598 20 30 GHEDRO C[NH2+][C@H]1C[C@H](Oc2ccc(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)cc2)C1 ZINC001217950997 1030681918 /nfs/dbraw/zinc/68/19/18/1030681918.db2.gz OLIUBCODQVMWSV-SQJQDFGHSA-N 1 0 391.467 3.776 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CCCC[NH2+]C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001217978571 1030701548 /nfs/dbraw/zinc/70/15/48/1030701548.db2.gz ZSQASQYPMPRREK-RUJXFNLJSA-N 1 0 383.444 3.523 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001223765828 1030744516 /nfs/dbraw/zinc/74/45/16/1030744516.db2.gz UDPWTTYULQEUCG-UEVCKROQSA-N 1 0 390.483 3.772 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(OC2CC3(C2)CC[NH2+]C3)c1 ZINC001218063640 1030751261 /nfs/dbraw/zinc/75/12/61/1030751261.db2.gz LIICTIARTGHYAJ-UHFFFAOYSA-N 1 0 391.467 3.920 20 30 GHEDRO COc1cc(OC2CC3(C2)CC[NH2+]C3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218063902 1030751565 /nfs/dbraw/zinc/75/15/65/1030751565.db2.gz DWQNYGKBASIYST-RUDMXATFSA-N 1 0 379.456 3.818 20 30 GHEDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@@H]2F)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218065446 1030753307 /nfs/dbraw/zinc/75/33/07/1030753307.db2.gz WUOBURRIXMKJBC-QBICPTGGSA-N 1 0 385.435 3.690 20 30 GHEDRO COc1ccccc1/C=C/C(=O)c1ccccc1O[C@H]1CSC2(C[NH2+]C2)C1 ZINC001218103497 1030774296 /nfs/dbraw/zinc/77/42/96/1030774296.db2.gz QGBNQNJOGGFZDP-SXSDINLZSA-N 1 0 381.497 3.818 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 ZINC001218201064 1030825373 /nfs/dbraw/zinc/82/53/73/1030825373.db2.gz JZPZKWNAGVAAMO-PIGZYNQJSA-N 1 0 376.243 3.736 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001218202427 1030827931 /nfs/dbraw/zinc/82/79/31/1030827931.db2.gz LNYWXOOXBBYKEY-DIFFPNOSSA-N 1 0 376.243 3.736 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 ZINC001218204160 1030828115 /nfs/dbraw/zinc/82/81/15/1030828115.db2.gz VNKFPZSPJOOREP-APPDUMDISA-N 1 0 376.243 3.736 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CCC4(C[NH2+]C4)C3)c(C#N)c2)nc1C ZINC001218240380 1030845759 /nfs/dbraw/zinc/84/57/59/1030845759.db2.gz ZWMNQUVOKQDRQX-INIZCTEOSA-N 1 0 397.500 3.688 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1C[C@H]2[NH2+]CC[C@H]2C1 ZINC001218249630 1030851871 /nfs/dbraw/zinc/85/18/71/1030851871.db2.gz SWZRBJWFGCESAZ-YRISNDGFSA-N 1 0 387.483 3.634 20 30 GHEDRO C#CC[C@@H](NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC001151314899 1030859373 /nfs/dbraw/zinc/85/93/73/1030859373.db2.gz RVCKLAHTFKYWAP-JOCHJYFZSA-N 1 0 395.934 3.733 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001151350752 1030871535 /nfs/dbraw/zinc/87/15/35/1030871535.db2.gz MOGPIRUWOFYRFY-JOCHJYFZSA-N 1 0 379.504 3.842 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3CC[NH2+]C[C@H]3C)c2)cc1OC ZINC001218415001 1030929838 /nfs/dbraw/zinc/92/98/38/1030929838.db2.gz NZFGLETZBAJYMD-SDAMSYQZSA-N 1 0 381.472 3.977 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(I)c(F)c1F ZINC001218452112 1030942373 /nfs/dbraw/zinc/94/23/73/1030942373.db2.gz RRWBSBQQBBZVLX-GHMZBOCLSA-N 1 0 379.188 3.645 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc2c(cc1[C@H]1C(=O)Nc3ccccc31)OCO2 ZINC001218456761 1030944354 /nfs/dbraw/zinc/94/43/54/1030944354.db2.gz WNDINSAUUJMXOD-HMFYCAOWSA-N 1 0 392.455 3.575 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c1C(=O)/C=C/c1ccccc1 ZINC001218459714 1030945509 /nfs/dbraw/zinc/94/55/09/1030945509.db2.gz HRTHUMHOBANNMG-UIHGSBJCSA-N 1 0 379.456 3.674 20 30 GHEDRO Cc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218472190 1030952183 /nfs/dbraw/zinc/95/21/83/1030952183.db2.gz KLIVYRXMQZSARC-LIUQHKPKSA-N 1 0 393.483 3.988 20 30 GHEDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001218483898 1030956718 /nfs/dbraw/zinc/95/67/18/1030956718.db2.gz JVHPKXOJCYEVBU-SZNDQCEHSA-N 1 0 376.435 3.608 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c1 ZINC001218493887 1030961392 /nfs/dbraw/zinc/96/13/92/1030961392.db2.gz AQYJOLKSRGTNMW-QNRJXKNMSA-N 1 0 379.456 3.729 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001218542464 1030981038 /nfs/dbraw/zinc/98/10/38/1030981038.db2.gz UHRDINLPKZTNDL-BTYIYWSLSA-N 1 0 399.491 3.913 20 30 GHEDRO C#CC[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001224385461 1030981890 /nfs/dbraw/zinc/98/18/90/1030981890.db2.gz BFUXXEGRIUUIOA-TZRRMPRUSA-N 1 0 387.527 3.915 20 30 GHEDRO N#Cc1c2ccccc2sc1NC(=O)C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001218648760 1031017836 /nfs/dbraw/zinc/01/78/36/1031017836.db2.gz JMGJMXOWRWUGMV-KRWDZBQOSA-N 1 0 390.512 3.576 20 30 GHEDRO N#Cc1ncc(NC(=O)c2ccc(CC3CC[NH2+]CC3)cc2)cc1C(F)(F)F ZINC001218660101 1031022615 /nfs/dbraw/zinc/02/26/15/1031022615.db2.gz OKUYXLZYDSQWPQ-UHFFFAOYSA-N 1 0 388.393 3.766 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H](OCC[S+](c2ccccc2)c2ccccc2)CO1 ZINC001224637425 1031066487 /nfs/dbraw/zinc/06/64/87/1031066487.db2.gz SSIRZXDBKQBWTH-RXVVDRJESA-N 1 0 387.521 3.850 20 30 GHEDRO Cc1cc(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)c2ccsc2n1 ZINC001218759982 1031070079 /nfs/dbraw/zinc/07/00/79/1031070079.db2.gz RSJWRZYETUPPIT-KUHUBIRLSA-N 1 0 376.485 3.636 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(CCc2ccccn2)c1 ZINC001218815155 1031091397 /nfs/dbraw/zinc/09/13/97/1031091397.db2.gz PBUBIAUNLHGQBB-RPWUZVMVSA-N 1 0 396.494 3.680 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)CC3(c4ccccc4F)CC[NH2+]CC3)cc2s1 ZINC001218911071 1031147807 /nfs/dbraw/zinc/14/78/07/1031147807.db2.gz WTSKWYYKHQBBIW-UHFFFAOYSA-N 1 0 394.475 3.957 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001218951359 1031172223 /nfs/dbraw/zinc/17/22/23/1031172223.db2.gz HJQCVHDAYGLMQF-INIZCTEOSA-N 1 0 384.361 3.634 20 30 GHEDRO N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218996975 1031202574 /nfs/dbraw/zinc/20/25/74/1031202574.db2.gz QYHISUODGUNLAW-NZQKXSOJSA-N 1 0 388.515 3.628 20 30 GHEDRO N#Cc1cccc(C[C@H]([NH3+])C(=O)Nc2cc(F)cc(OCc3ccccc3)c2)c1 ZINC001219076221 1031244303 /nfs/dbraw/zinc/24/43/03/1031244303.db2.gz GUYLALFFDBUTHT-QFIPXVFZSA-N 1 0 389.430 3.785 20 30 GHEDRO N#Cc1cccc(NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)n1 ZINC001219254812 1031328484 /nfs/dbraw/zinc/32/84/84/1031328484.db2.gz XCMIHJMOHBFUPM-INIZCTEOSA-N 1 0 387.846 3.532 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c(Cl)c1 ZINC001277030768 1031331439 /nfs/dbraw/zinc/33/14/39/1031331439.db2.gz JFGHHXMUGBGCLO-QGZVFWFLSA-N 1 0 385.817 3.588 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H](c2ccco2)N2CCC([NH3+])CC2)c1 ZINC001219308651 1031349929 /nfs/dbraw/zinc/34/99/29/1031349929.db2.gz FBZMUEOIROZGOV-OAQYLSRUSA-N 1 0 395.579 3.611 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001219483291 1031450284 /nfs/dbraw/zinc/45/02/84/1031450284.db2.gz SVVDHTFCSQSZJU-SUMDDJOVSA-N 1 0 390.987 3.522 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1)c1cccc(Cl)c1F ZINC001219689199 1031558215 /nfs/dbraw/zinc/55/82/15/1031558215.db2.gz IOTNNHYMNHODGN-LPMFXHHGSA-N 1 0 385.870 3.749 20 30 GHEDRO COc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC001219841126 1031649869 /nfs/dbraw/zinc/64/98/69/1031649869.db2.gz UEOCSFZSOJCVPK-HSZRJFAPSA-N 1 0 390.487 3.697 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC001220281031 1031879663 /nfs/dbraw/zinc/87/96/63/1031879663.db2.gz ZCMJWENZHRTERN-AWEZNQCLSA-N 1 0 382.430 3.672 20 30 GHEDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N/C=C/C(=O)C(F)(F)F ZINC001220343107 1031904100 /nfs/dbraw/zinc/90/41/00/1031904100.db2.gz FEVGRCCVQZFTGF-BBVFFXRHSA-N 1 0 386.373 3.624 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@@H](Oc2nc(Cl)nc3cc(F)ccc32)C1 ZINC001226369799 1031933655 /nfs/dbraw/zinc/93/36/55/1031933655.db2.gz OMISDGIEOXKJPM-MRXNPFEDSA-N 1 0 382.826 3.947 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC001220615135 1032014030 /nfs/dbraw/zinc/01/40/30/1032014030.db2.gz VOSWGYXAIWTRID-HSZRJFAPSA-N 1 0 377.532 3.785 20 30 GHEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc1O)C2 ZINC001229209005 1033343481 /nfs/dbraw/zinc/34/34/81/1033343481.db2.gz SZQKGPQUQGCBQM-GRLNVVJTSA-N 1 0 393.439 3.718 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)ccc1F ZINC001205467836 1033427141 /nfs/dbraw/zinc/42/71/41/1033427141.db2.gz YNAHPJOHYHRXKX-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(C)cncc3Br)CC2)C1=O ZINC001277392776 1033519516 /nfs/dbraw/zinc/51/95/16/1033519516.db2.gz MQDAFGPLAGZJDO-IBGZPJMESA-N 1 0 392.341 3.543 20 30 GHEDRO N#Cc1cc(F)c(Cl)nc1N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001157320923 1033532883 /nfs/dbraw/zinc/53/28/83/1033532883.db2.gz WBLLUQDPNTWHBG-UHFFFAOYSA-N 1 0 382.830 3.579 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC001157389965 1033564133 /nfs/dbraw/zinc/56/41/33/1033564133.db2.gz JPWPYQREHRZNKT-LJQANCHMSA-N 1 0 398.890 3.620 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001229587027 1033574893 /nfs/dbraw/zinc/57/48/93/1033574893.db2.gz QCLMPAYDXLCJED-GALSZHCDSA-N 1 0 383.444 3.561 20 30 GHEDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001157434589 1033586005 /nfs/dbraw/zinc/58/60/05/1033586005.db2.gz ORLOAODMGNBHSK-XMSQKQJNSA-N 1 0 377.488 3.710 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CCCC[C@@]34CCC[NH2+]C4)nc2)cc1 ZINC001157472667 1033608155 /nfs/dbraw/zinc/60/81/55/1033608155.db2.gz GNJLGWMYFFMBLO-QHCPKHFHSA-N 1 0 376.504 3.839 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N)C(C)C ZINC001205941603 1033646052 /nfs/dbraw/zinc/64/60/52/1033646052.db2.gz BTXAWFBPYUXPFQ-OAQYLSRUSA-N 1 0 383.540 3.753 20 30 GHEDRO N#Cc1cc(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)nc2ccccc12 ZINC001157535863 1033647368 /nfs/dbraw/zinc/64/73/68/1033647368.db2.gz DHCODIVQBGBAGE-UHFFFAOYSA-N 1 0 398.392 3.805 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(C)cc(Br)c1OCC(=O)OCC)C(C)(C)C ZINC001206069974 1033709959 /nfs/dbraw/zinc/70/99/59/1033709959.db2.gz WVKJGVLKJUOEQI-MRXNPFEDSA-N 1 0 396.325 3.837 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(CC3(c4cccc(F)c4)CC[NH2+]CC3)n2)c1 ZINC001206086270 1033714225 /nfs/dbraw/zinc/71/42/25/1033714225.db2.gz PVGFYIFAIGEXKJ-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]2C1 ZINC001157700360 1033729368 /nfs/dbraw/zinc/72/93/68/1033729368.db2.gz QMYIOOKBMISKRI-NHCUHLMSSA-N 1 0 376.504 3.505 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1-n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001157895628 1033814766 /nfs/dbraw/zinc/81/47/66/1033814766.db2.gz JSJVPTQUSOBEHH-UHFFFAOYSA-N 1 0 384.418 3.508 20 30 GHEDRO Cc1ccc2nc(-n3nc(-c4ccccc4)nc3CC[NH3+])c(C#N)c(Cl)c2c1 ZINC001157903488 1033819056 /nfs/dbraw/zinc/81/90/56/1033819056.db2.gz XQWXEGWLDNGJLJ-UHFFFAOYSA-N 1 0 388.862 3.817 20 30 GHEDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)c1O ZINC001277439041 1033850456 /nfs/dbraw/zinc/85/04/56/1033850456.db2.gz GJBKEDUTLBUMRX-FQEVSTJZSA-N 1 0 375.900 3.615 20 30 GHEDRO COc1ccc(CN(c2nc(C(C)C)ccc2C#N)C2CC[NH2+]CC2)cc1F ZINC001158005020 1033863841 /nfs/dbraw/zinc/86/38/41/1033863841.db2.gz YKRJXHCWMIJXFV-UHFFFAOYSA-N 1 0 382.483 3.983 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(-c3ccc(OC)cc3)on1)CC2 ZINC001206823737 1034002955 /nfs/dbraw/zinc/00/29/55/1034002955.db2.gz QKBUOQXUWPVZHR-UHFFFAOYSA-N 1 0 397.475 3.571 20 30 GHEDRO C[N@@H+]1CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)C2(CCCC2)C1 ZINC001158405425 1034062414 /nfs/dbraw/zinc/06/24/14/1034062414.db2.gz RCWDXHLZFXGYMS-UHFFFAOYSA-N 1 0 375.250 3.870 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2nc(Cl)c(F)cc2C#N)CC1 ZINC001158444829 1034079071 /nfs/dbraw/zinc/07/90/71/1034079071.db2.gz CMKALOHZEPLGQX-UHFFFAOYSA-N 1 0 376.838 3.986 20 30 GHEDRO COC(=O)C[C@@H](C#N)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001231000292 1034335359 /nfs/dbraw/zinc/33/53/59/1034335359.db2.gz NAKABGWFZQYMLH-NRFANRHFSA-N 1 0 392.499 3.943 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001158914812 1034335383 /nfs/dbraw/zinc/33/53/83/1034335383.db2.gz KHGCUSDNUNXQKU-SFHVURJKSA-N 1 0 380.492 3.716 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C#N ZINC001231030853 1034351658 /nfs/dbraw/zinc/35/16/58/1034351658.db2.gz LSRUIOUIFIPYOA-SGRGSNTQSA-N 1 0 390.483 3.848 20 30 GHEDRO C=CCOC[C@H]1C[N@@H+](CCCc2ccccc2F)Cc2nnn(CC3CC3)c21 ZINC001207492384 1034398441 /nfs/dbraw/zinc/39/84/41/1034398441.db2.gz VWAHMZGJCLUFQE-LJQANCHMSA-N 1 0 384.499 3.562 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c1 ZINC001277487383 1034403560 /nfs/dbraw/zinc/40/35/60/1034403560.db2.gz INSDXIZKVQTKFX-HZPDHXFCSA-N 1 0 385.817 3.729 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](CCc3ccccc3Br)C2)CC1 ZINC001207527826 1034431135 /nfs/dbraw/zinc/43/11/35/1034431135.db2.gz LFJFQTSLRJEJIV-UHFFFAOYSA-N 1 0 393.325 3.712 20 30 GHEDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC001159140040 1034444813 /nfs/dbraw/zinc/44/48/13/1034444813.db2.gz JRXWGVNCEBXHGB-UNMCSNQZSA-N 1 0 383.536 3.829 20 30 GHEDRO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001207648658 1034509825 /nfs/dbraw/zinc/50/98/25/1034509825.db2.gz HENLFDGYZGQHST-YADARESESA-N 1 0 397.563 3.954 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Nc3cccc(OC)c3)cn2)CC1 ZINC001207690230 1034528838 /nfs/dbraw/zinc/52/88/38/1034528838.db2.gz PNVJECZIKQRBGF-UHFFFAOYSA-N 1 0 395.507 3.996 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[NH+]3CCC(Oc4ccccc4C#N)CC3)[C@H]2C1 ZINC001207780816 1034573445 /nfs/dbraw/zinc/57/34/45/1034573445.db2.gz JVPIHZDCYFQRRT-OWZKRDHZSA-N 1 0 397.519 3.514 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[NH+]3CCC(c4ccc(C#N)cc4)CC3)[C@H]2C1 ZINC001207782213 1034575005 /nfs/dbraw/zinc/57/50/05/1034575005.db2.gz ZDBYWNYUAAGBCL-MZADTFQBSA-N 1 0 381.520 3.851 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001159397814 1034580613 /nfs/dbraw/zinc/58/06/13/1034580613.db2.gz RAIBMHVIIGFETM-UHFFFAOYSA-N 1 0 378.904 3.847 20 30 GHEDRO N#Cc1cc(Nc2ccc(C(=O)NCc3ccccc3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159521233 1034637002 /nfs/dbraw/zinc/63/70/02/1034637002.db2.gz GYSJGGXJSKLYQN-UHFFFAOYSA-N 1 0 382.467 3.919 20 30 GHEDRO N#CCc1cnc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c(Cl)c1 ZINC001159629061 1034696764 /nfs/dbraw/zinc/69/67/64/1034696764.db2.gz NHVMYFIBXSWLQG-WGSAOQKQSA-N 1 0 387.959 3.552 20 30 GHEDRO CCCCCCC/C=C/C[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001208118552 1034745740 /nfs/dbraw/zinc/74/57/40/1034745740.db2.gz LCSKZASMKCWKRQ-CMDGGOBGSA-N 1 0 386.540 3.591 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208118074 1034746178 /nfs/dbraw/zinc/74/61/78/1034746178.db2.gz CSLJBVXDMLLECR-NPKWVPMESA-N 1 0 392.584 3.633 20 30 GHEDRO C=CCOC[C@@H]1C[N@@H+](CC[C@H](C)c2ccc(C)o2)Cc2nnn(CC3CC3)c21 ZINC001208157272 1034761185 /nfs/dbraw/zinc/76/11/85/1034761185.db2.gz UILNZIMKGJIYDQ-LPHOPBHVSA-N 1 0 384.524 3.885 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)CC1 ZINC001208175416 1034774549 /nfs/dbraw/zinc/77/45/49/1034774549.db2.gz VTNLFYDSUIQQMW-FUPPJEDESA-N 1 0 382.552 3.839 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC001231619039 1034775028 /nfs/dbraw/zinc/77/50/28/1034775028.db2.gz OQWRJRAHLCWIFM-UHFFFAOYSA-N 1 0 388.446 3.764 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC001231619159 1034775554 /nfs/dbraw/zinc/77/55/54/1034775554.db2.gz HYMUHTAADBOFTG-OAQYLSRUSA-N 1 0 389.499 3.547 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1 ZINC001231622716 1034780682 /nfs/dbraw/zinc/78/06/82/1034780682.db2.gz FOKZRGZJKWMQRK-JOCHJYFZSA-N 1 0 376.500 3.747 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccc(C)n3)C2)c1 ZINC001231622916 1034781788 /nfs/dbraw/zinc/78/17/88/1034781788.db2.gz MOLWWZCPOVYYEO-QPPBQGQZSA-N 1 0 394.515 3.620 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2ccc(OC)cc2)C3)c1 ZINC001231655065 1034812625 /nfs/dbraw/zinc/81/26/25/1034812625.db2.gz KOGVDCQTOWMBKF-VWLOTQADSA-N 1 0 390.527 3.796 20 30 GHEDRO COc1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(Br)cc1F ZINC001160033566 1034837505 /nfs/dbraw/zinc/83/75/05/1034837505.db2.gz MPHVZCVNRKZIKP-UHFFFAOYSA-N 1 0 376.229 3.899 20 30 GHEDRO Cc1cccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1I ZINC001160033151 1034837693 /nfs/dbraw/zinc/83/76/93/1034837693.db2.gz CKBBNFLHGBTSDJ-UHFFFAOYSA-N 1 0 389.240 3.902 20 30 GHEDRO COc1cc(CN2CCC(C)(C#N)CC2)c(Br)cc1OC(C)=O ZINC001231689575 1034839220 /nfs/dbraw/zinc/83/92/20/1034839220.db2.gz XJDSFCQWAPRMMP-UHFFFAOYSA-N 1 0 381.270 3.509 20 30 GHEDRO CC1CCN(c2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)nn2)CC1 ZINC001160107517 1034863732 /nfs/dbraw/zinc/86/37/32/1034863732.db2.gz SXPBFTVTSCSOGI-UHFFFAOYSA-N 1 0 390.535 3.683 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)CNc2ccc(C#N)cc2)[NH+](CC)CC)cc1 ZINC001160111391 1034866060 /nfs/dbraw/zinc/86/60/60/1034866060.db2.gz PBJNNRMYMGEKDC-QFIPXVFZSA-N 1 0 378.520 3.732 20 30 GHEDRO COc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208405873 1034885480 /nfs/dbraw/zinc/88/54/80/1034885480.db2.gz NCRRQPJQXHBKOF-AEFFLSMTSA-N 1 0 378.476 3.599 20 30 GHEDRO N#Cc1cc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c(F)cc1F ZINC001208476151 1034909655 /nfs/dbraw/zinc/90/96/55/1034909655.db2.gz LHVSJRALRQRCSA-UHFFFAOYSA-N 1 0 394.491 3.710 20 30 GHEDRO C#Cc1cccc(N(c2ncnc3cc(OC)c(N)cc32)C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001160279425 1034926360 /nfs/dbraw/zinc/92/63/60/1034926360.db2.gz AUIULKRAPQXVEZ-SJORKVTESA-N 1 0 397.482 3.748 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC001231816953 1034926719 /nfs/dbraw/zinc/92/67/19/1034926719.db2.gz FRHJKYWGNYRZME-HSZRJFAPSA-N 1 0 380.536 3.570 20 30 GHEDRO COc1ccccc1[C@@H](O)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)C(C)C ZINC001231819954 1034928161 /nfs/dbraw/zinc/92/81/61/1034928161.db2.gz JDRACQDUZBJIPK-QFIPXVFZSA-N 1 0 381.520 3.989 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231821707 1034929225 /nfs/dbraw/zinc/92/92/25/1034929225.db2.gz JQNISWVGWGRAGI-XLIONFOSSA-N 1 0 386.540 3.914 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCCCCOCc1ccccc1 ZINC001208813554 1035034879 /nfs/dbraw/zinc/03/48/79/1035034879.db2.gz LGAXKBBDERXBDL-QFIPXVFZSA-N 1 0 383.536 3.909 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(Br)[nH]c4ccccc43)C2)C1=O ZINC001277601757 1035050559 /nfs/dbraw/zinc/05/05/59/1035050559.db2.gz SEKWIVPQJKUUEP-IBGZPJMESA-N 1 0 388.309 3.541 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc2)cc1 ZINC001160744416 1035053288 /nfs/dbraw/zinc/05/32/88/1035053288.db2.gz RHDQQAZPGVRTNS-ZWKOTPCHSA-N 1 0 390.409 3.679 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@H+](CCCc1cccc(C#N)c1)CCO2 ZINC001208851785 1035058491 /nfs/dbraw/zinc/05/84/91/1035058491.db2.gz LJXNUYWMKBHWQL-QHCPKHFHSA-N 1 0 399.535 3.593 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(CCCc4cccc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001208852424 1035059529 /nfs/dbraw/zinc/05/95/29/1035059529.db2.gz JVPVMQQOJBWYEE-ISKFKSNPSA-N 1 0 375.516 3.637 20 30 GHEDRO CC[N@H+](CCCc1cccc(C#N)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001208854536 1035060865 /nfs/dbraw/zinc/06/08/65/1035060865.db2.gz QCNHCKLRTIOQMA-XMMPIXPASA-N 1 0 377.532 3.714 20 30 GHEDRO CS(=O)(=O)c1ccc(C2CC[NH+](CCCc3ccc(C#N)cc3)CC2)cc1 ZINC001208864109 1035065975 /nfs/dbraw/zinc/06/59/75/1035065975.db2.gz NUINYNWCJHNLFU-UHFFFAOYSA-N 1 0 382.529 3.774 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@H]2CF)CC1 ZINC001208925944 1035091646 /nfs/dbraw/zinc/09/16/46/1035091646.db2.gz ZJOQMNMGCFIQFU-RTBURBONSA-N 1 0 387.499 3.676 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC001208927155 1035093350 /nfs/dbraw/zinc/09/33/50/1035093350.db2.gz QOMSJDZWGLAJIJ-XMMPIXPASA-N 1 0 391.490 3.755 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1Cl ZINC001232114276 1035103496 /nfs/dbraw/zinc/10/34/96/1035103496.db2.gz GDUBCTZJKCRXFP-FQEVSTJZSA-N 1 0 397.906 3.947 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CN[C@@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001160957574 1035105999 /nfs/dbraw/zinc/10/59/99/1035105999.db2.gz NPWRBMQEYXIMOU-HNAYVOBHSA-N 1 0 376.863 3.669 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC001160994133 1035114462 /nfs/dbraw/zinc/11/44/62/1035114462.db2.gz NHEKNMPUIBPFKP-NFBKMPQASA-N 1 0 387.527 3.734 20 30 GHEDRO C=CCN(CC[N@@H+](CCC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001209024755 1035153207 /nfs/dbraw/zinc/15/32/07/1035153207.db2.gz XNCXZPYGWKQPPQ-GOSISDBHSA-N 1 0 397.560 3.600 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCCCCCCCCC(=O)OC ZINC001209093521 1035169882 /nfs/dbraw/zinc/16/98/82/1035169882.db2.gz CSNPGWWPGUBLFI-FQEVSTJZSA-N 1 0 391.556 3.816 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)c1 ZINC001232225750 1035172367 /nfs/dbraw/zinc/17/23/67/1035172367.db2.gz PHLHYDKHSIZTSG-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO C=CCCC[NH+]1CCC2(C[C@H](COCC3CC3)N(C(=O)c3ccco3)C2)CC1 ZINC001209160935 1035195878 /nfs/dbraw/zinc/19/58/78/1035195878.db2.gz DCIDUCKTOOUWQZ-HXUWFJFHSA-N 1 0 386.536 3.969 20 30 GHEDRO C=CCCC[N@@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC001209158414 1035196049 /nfs/dbraw/zinc/19/60/49/1035196049.db2.gz NXKLTYIRIHTWKS-QFIPXVFZSA-N 1 0 382.529 3.758 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161357841 1035215459 /nfs/dbraw/zinc/21/54/59/1035215459.db2.gz FRWPDQMEIRWZHL-WGSAOQKQSA-N 1 0 388.450 3.957 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N[C@H](CC#N)C(F)(F)F ZINC001209330521 1035243571 /nfs/dbraw/zinc/24/35/71/1035243571.db2.gz SRWAELRUPDQRCA-IAGOWNOFSA-N 1 0 382.430 3.527 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H](CC#N)C(F)(F)F)C1 ZINC001209329992 1035243748 /nfs/dbraw/zinc/24/37/48/1035243748.db2.gz MWMTYYMTIRDJPN-PBHICJAKSA-N 1 0 382.430 3.562 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001161591567 1035267063 /nfs/dbraw/zinc/26/70/63/1035267063.db2.gz MHJJJNWPMVDQCL-UHFFFAOYSA-N 1 0 376.500 3.919 20 30 GHEDRO C=CCCCCC[N@@H+]1CC[C@@]2(C(=O)OC)CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001209433420 1035273359 /nfs/dbraw/zinc/27/33/59/1035273359.db2.gz WCOLQPRYVCAOSQ-DYESRHJHSA-N 1 0 380.529 3.607 20 30 GHEDRO C[NH+]1CCN(CCCNc2nc3c(Cl)cc(F)cc3c(Cl)c2C#N)CC1 ZINC001161705325 1035287758 /nfs/dbraw/zinc/28/77/58/1035287758.db2.gz HAJMEQCHEBAPQF-UHFFFAOYSA-N 1 0 396.297 3.602 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161819737 1035308482 /nfs/dbraw/zinc/30/84/82/1035308482.db2.gz HOXXIHLCIUEFIR-FQEVSTJZSA-N 1 0 395.869 3.869 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC001209695245 1035358591 /nfs/dbraw/zinc/35/85/91/1035358591.db2.gz GOXFJEQMKSDWEI-UHFFFAOYSA-N 1 0 391.450 3.965 20 30 GHEDRO CC(C)(C)O[C@H]1C[NH2+][C@H](c2nc(-c3ccc(Br)cc3C#N)no2)C1 ZINC001248235156 1035674660 /nfs/dbraw/zinc/67/46/60/1035674660.db2.gz KYMJTKQHDBQNIY-OCCSQVGLSA-N 1 0 391.269 3.589 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001462010444 1069943943 /nfs/dbraw/zinc/94/39/43/1069943943.db2.gz SKSRTPRJGSVKRR-UHFFFAOYSA-N 1 0 382.939 3.986 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@H]4CCCN([C@H]5CC[NH2+]C5)C4)n3)cc2)cc1 ZINC001248312868 1035746903 /nfs/dbraw/zinc/74/69/03/1035746903.db2.gz CLELBLDGXSRGBJ-YADHBBJMSA-N 1 0 399.498 3.817 20 30 GHEDRO C=CCCCC[N@@H+](C)Cc1cc(I)c(OC)cc1O ZINC001248472051 1035899758 /nfs/dbraw/zinc/89/97/58/1035899758.db2.gz LKPTYCPZDOZWSH-UHFFFAOYSA-N 1 0 375.250 3.794 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(C2=CC(=O)C[C@@H](C)C2)nc2ccccc21 ZINC001242736473 1035951358 /nfs/dbraw/zinc/95/13/58/1035951358.db2.gz XCRNMHKZQJDVLY-INIZCTEOSA-N 1 0 379.504 3.689 20 30 GHEDRO COc1c(F)c(F)c(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c(F)c1F ZINC001242735045 1035951718 /nfs/dbraw/zinc/95/17/18/1035951718.db2.gz TYJOQVRJCSBAMX-UHFFFAOYSA-N 1 0 380.341 3.921 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccnc(C2=CC[C@@H](C#N)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001243795237 1036282701 /nfs/dbraw/zinc/28/27/01/1036282701.db2.gz GCJHHUUGKMMGAD-IAGOWNOFSA-N 1 0 396.535 3.587 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(-c2cccc(C#N)c2F)nc2ccccc21 ZINC001245067576 1036752805 /nfs/dbraw/zinc/75/28/05/1036752805.db2.gz TTZYYJXPHFURFR-UHFFFAOYSA-N 1 0 390.462 3.984 20 30 GHEDRO N#Cc1cc(-c2ccc(OCC[NH+]3CCCC3)nc2)ccc1OC1CCOCC1 ZINC001245308169 1036868805 /nfs/dbraw/zinc/86/88/05/1036868805.db2.gz YHXSJBJXLODABG-UHFFFAOYSA-N 1 0 393.487 3.653 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001245788269 1036999154 /nfs/dbraw/zinc/99/91/54/1036999154.db2.gz QYBAHLWHEFCZMB-ZDUSSCGKSA-N 1 0 384.471 3.984 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@H]2CC[N@H+](CC3CCC3)C2)cc1C(F)(F)F ZINC001245800672 1037004659 /nfs/dbraw/zinc/00/46/59/1037004659.db2.gz XWFSBWJMFCFPNC-HNNXBMFYSA-N 1 0 382.455 3.738 20 30 GHEDRO Cc1ccc(F)cc1C[NH+]1CCC(NC(=S)Nc2ccc(C#N)cc2)CC1 ZINC001245950976 1037075298 /nfs/dbraw/zinc/07/52/98/1037075298.db2.gz QJJZYRHSZSXPJX-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN[C@H]1CCC[NH2+]C1 ZINC001245979823 1037103398 /nfs/dbraw/zinc/10/33/98/1037103398.db2.gz KYAZZFPKXDRFJY-VXKWHMMOSA-N 1 0 386.621 3.643 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[N@@H+]1CCCO[C@@]2(CNCCOC2)C1 ZINC001246034546 1037153055 /nfs/dbraw/zinc/15/30/55/1037153055.db2.gz QGDPWVIQACRPSK-GOTSBHOMSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001246038054 1037154702 /nfs/dbraw/zinc/15/47/02/1037154702.db2.gz UXLAWKLWOBVESB-VJBWXMMDSA-N 1 0 398.632 3.738 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246274072 1037271960 /nfs/dbraw/zinc/27/19/60/1037271960.db2.gz REHLXAGCBPFTNN-LEOXJPRUSA-N 1 0 391.515 3.538 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246275166 1037272041 /nfs/dbraw/zinc/27/20/41/1037272041.db2.gz YAOJXWBFQBWLBU-LEOXJPRUSA-N 1 0 391.515 3.538 20 30 GHEDRO CCCCCCCCOC(=O)[C@@H](N)Cc1cn([C@H]2CC[NH2+]C2)c2ccccc12 ZINC001246282397 1037276182 /nfs/dbraw/zinc/27/61/82/1037276182.db2.gz BOTMOWMSFUPYPK-FPOVZHCZSA-N 1 0 385.552 3.949 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])N[C@@H](C)Cc2ccc(Br)cc2)cc1 ZINC001246303081 1037284334 /nfs/dbraw/zinc/28/43/34/1037284334.db2.gz FEXMMHRSNJZXCW-LBPRGKRZSA-N 1 0 375.266 3.572 20 30 GHEDRO Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246532394 1037467667 /nfs/dbraw/zinc/46/76/67/1037467667.db2.gz ZFYXZSCHQWYFDC-RBBKRZOGSA-N 1 0 378.495 3.621 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CCN[C@H](c3ccc(F)cc3C)C1)C2 ZINC001246709168 1037560919 /nfs/dbraw/zinc/56/09/19/1037560919.db2.gz SFMLZNHAEBHTON-JCTONOIOSA-N 1 0 399.554 3.960 20 30 GHEDRO CCCCCCCCNC(=S)N1CCN(CCOc2ccccc2)CC1 ZINC001247154462 1037950695 /nfs/dbraw/zinc/95/06/95/1037950695.db2.gz PXNUJQBIZAOGCJ-UHFFFAOYSA-N 1 0 377.598 3.918 20 30 GHEDRO CCCCCCCCNC(=S)NCc1cccc(N2CC[NH+](C)CC2)c1 ZINC001247166491 1037960275 /nfs/dbraw/zinc/96/02/75/1037960275.db2.gz LLAWWVUSFQGJCG-UHFFFAOYSA-N 1 0 376.614 3.763 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(OCc3ccccc3)no1)CC2 ZINC001232449566 1038230733 /nfs/dbraw/zinc/23/07/33/1038230733.db2.gz YOMJDMDAWJMAMH-QHCPKHFHSA-N 1 0 395.503 3.787 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccc(Br)c1N)CC2 ZINC001232524052 1038288258 /nfs/dbraw/zinc/28/82/58/1038288258.db2.gz ZFKIMOZKOVEXOI-LJQANCHMSA-N 1 0 392.341 3.564 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccc(CF)n4)C3)C2)c1 ZINC001232535420 1038304185 /nfs/dbraw/zinc/30/41/85/1038304185.db2.gz SJIHWPOZPVBKED-HSZRJFAPSA-N 1 0 394.494 3.542 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc([C@H]2C[C@@H](C(F)(F)F)C[NH2+]2)n1 ZINC001247747766 1038360069 /nfs/dbraw/zinc/36/00/69/1038360069.db2.gz DOSWIRSUYCVXJH-LDYMZIIASA-N 1 0 387.159 3.584 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C(=O)OCC)cc3Cl)C2)C1=O ZINC001232589648 1038362036 /nfs/dbraw/zinc/36/20/36/1038362036.db2.gz ANYYCKUJUZZDCX-NRFANRHFSA-N 1 0 390.911 3.517 20 30 GHEDRO COc1cccc(C)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001232622486 1038410882 /nfs/dbraw/zinc/41/08/82/1038410882.db2.gz QXIUDECRORLXHK-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)s1 ZINC001232844432 1038596306 /nfs/dbraw/zinc/59/63/06/1038596306.db2.gz OTHBYUFVQBHZFR-UHFFFAOYSA-N 1 0 377.307 3.866 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001232844882 1038596511 /nfs/dbraw/zinc/59/65/11/1038596511.db2.gz APMHGKBAQDSHKH-UHFFFAOYSA-N 1 0 393.553 3.858 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2CN(Cc3cc(F)ccc3C#N)C[C@H]2CF)CC1 ZINC001232890178 1038675519 /nfs/dbraw/zinc/67/55/19/1038675519.db2.gz YUHIBUBOCHUNFQ-AEFFLSMTSA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001232891000 1038678994 /nfs/dbraw/zinc/67/89/94/1038678994.db2.gz UFUCQPQIVJVKIB-UHFFFAOYSA-N 1 0 379.479 3.564 20 30 GHEDRO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001232890721 1038680073 /nfs/dbraw/zinc/68/00/73/1038680073.db2.gz LZGFTWGIQVHDIG-HSZRJFAPSA-N 1 0 375.447 3.598 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC001252042044 1038825897 /nfs/dbraw/zinc/82/58/97/1038825897.db2.gz RSTIEBJPPVFRNW-MRXNPFEDSA-N 1 0 396.438 3.741 20 30 GHEDRO CCn1ncc2c1CN(Cc1ccc(C#N)cc1C)C[C@@H]2COc1cccnc1 ZINC001233079320 1038843424 /nfs/dbraw/zinc/84/34/24/1038843424.db2.gz BISQSZVGNFKDAA-HXUWFJFHSA-N 1 0 387.487 3.657 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCOCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001233080369 1038847283 /nfs/dbraw/zinc/84/72/83/1038847283.db2.gz LNKVCGSOSIQGLY-UHFFFAOYSA-N 1 0 399.535 3.716 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001252125220 1038870444 /nfs/dbraw/zinc/87/04/44/1038870444.db2.gz BNWGUDJZOZPONU-IBGZPJMESA-N 1 0 378.605 3.995 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)C(C)C)O2 ZINC001252127770 1038877021 /nfs/dbraw/zinc/87/70/21/1038877021.db2.gz FCCJAUOATQWAAC-FUPPJEDESA-N 1 0 396.616 3.884 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001252137426 1038886896 /nfs/dbraw/zinc/88/68/96/1038886896.db2.gz YBTMWBGDFGSINI-MTQWCTHYSA-N 1 0 398.588 3.569 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001252139187 1038889976 /nfs/dbraw/zinc/88/99/76/1038889976.db2.gz KRNZKEBXUUTCOG-FQEVSTJZSA-N 1 0 399.620 3.677 20 30 GHEDRO C[C@](O)(C[N@@H+]1CCCC2(CCC2)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323957 1038942824 /nfs/dbraw/zinc/94/28/24/1038942824.db2.gz DVIMVFYMZWNUDX-SFHVURJKSA-N 1 0 395.425 3.533 20 30 GHEDRO C=C[C@](C)(O)C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001252560468 1039032056 /nfs/dbraw/zinc/03/20/56/1039032056.db2.gz SOSQMLWPMNVUPR-KNKQGSTJSA-N 1 0 392.515 3.773 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]C1(Cc2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252578385 1039037233 /nfs/dbraw/zinc/03/72/33/1039037233.db2.gz CQMTVTMLBOSBJD-NRFANRHFSA-N 1 0 392.515 3.665 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001252594230 1039040904 /nfs/dbraw/zinc/04/09/04/1039040904.db2.gz VHOGUOWCSGTKKL-AWEZNQCLSA-N 1 0 377.834 3.969 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233284638 1039061363 /nfs/dbraw/zinc/06/13/63/1039061363.db2.gz CAWOHBYFBGTSOS-LJQANCHMSA-N 1 0 384.524 3.603 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001252644364 1039061804 /nfs/dbraw/zinc/06/18/04/1039061804.db2.gz HSSSMXIJSXHNFB-YLJYHZDGSA-N 1 0 378.476 3.764 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(O)c4[nH]c(=O)ccc34)C2)c1 ZINC001233294920 1039081667 /nfs/dbraw/zinc/08/16/67/1039081667.db2.gz FZOHNZSMBZOVAZ-SFHVURJKSA-N 1 0 375.428 3.561 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3ccc(C#N)cc23)cc1 ZINC001252769998 1039161994 /nfs/dbraw/zinc/16/19/94/1039161994.db2.gz VVEQRJIYVGXBBG-FQEVSTJZSA-N 1 0 391.515 3.909 20 30 GHEDRO C=CCCSCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001252773188 1039164775 /nfs/dbraw/zinc/16/47/75/1039164775.db2.gz WMBPMJUOGHTION-GBESFXJTSA-N 1 0 375.582 3.989 20 30 GHEDRO CCCCCCCCCC[C@H](O)CN1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001252980514 1039309049 /nfs/dbraw/zinc/30/90/49/1039309049.db2.gz UUZODHICOVWNLF-SFTDATJTSA-N 1 0 378.605 3.768 20 30 GHEDRO C#C[C@H](C)[NH2+]C[C@](O)(CCCCCCOc1ccc(Cl)cc1)C(=O)OCC ZINC001253036368 1039370377 /nfs/dbraw/zinc/37/03/77/1039370377.db2.gz XPLWLDQUAJVYTO-LAUBAEHRSA-N 1 0 395.927 3.575 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001253236465 1039490968 /nfs/dbraw/zinc/49/09/68/1039490968.db2.gz DBNWKJHEDYXPMM-KSEOMHKRSA-N 1 0 388.527 3.860 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001253237446 1039492663 /nfs/dbraw/zinc/49/26/63/1039492663.db2.gz LFIVZPMUABLCFL-FQEVSTJZSA-N 1 0 380.536 3.827 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001253236918 1039492836 /nfs/dbraw/zinc/49/28/36/1039492836.db2.gz UZULIFCXXXEEFJ-KAOXLYBCSA-N 1 0 395.584 3.549 20 30 GHEDRO COC(=O)c1ccc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C#N)c1 ZINC001233631957 1039497775 /nfs/dbraw/zinc/49/77/75/1039497775.db2.gz KGFKLEKTIRTRBK-CZTZKLFOSA-N 1 0 376.456 3.634 20 30 GHEDRO COC(=O)c1ccc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(C#N)c1 ZINC001233631965 1039497810 /nfs/dbraw/zinc/49/78/10/1039497810.db2.gz KGFKLEKTIRTRBK-SYYKKAFVSA-N 1 0 376.456 3.634 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCN(CC(F)(F)F)C2=O)CC1 ZINC001253241813 1039498451 /nfs/dbraw/zinc/49/84/51/1039498451.db2.gz DRXACBMTFCLUTQ-KRWDZBQOSA-N 1 0 390.490 3.751 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001253243772 1039500217 /nfs/dbraw/zinc/50/02/17/1039500217.db2.gz ZHVCHPXUAJANRN-JOCHJYFZSA-N 1 0 390.568 3.721 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001253243256 1039500285 /nfs/dbraw/zinc/50/02/85/1039500285.db2.gz TUNUITBTVFSBGA-HOTGVXAUSA-N 1 0 387.446 3.836 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001253243035 1039500507 /nfs/dbraw/zinc/50/05/07/1039500507.db2.gz RGIFCWJVPJCFPY-NRFANRHFSA-N 1 0 376.516 3.907 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001233702112 1039550400 /nfs/dbraw/zinc/55/04/00/1039550400.db2.gz ABFMPGLOYQIOIC-JOCHJYFZSA-N 1 0 391.467 3.872 20 30 GHEDRO CC(C)(C)[NH2+]C[C@@H](O)CN1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253395240 1039599400 /nfs/dbraw/zinc/59/94/00/1039599400.db2.gz DFVVEOAWQBYNJE-DHIUTWEWSA-N 1 0 391.559 3.567 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H](O)CC ZINC001253614884 1039725394 /nfs/dbraw/zinc/72/53/94/1039725394.db2.gz WXKYBOHPDMOZIG-RTWAWAEBSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C1(CO)CCC1 ZINC001253617703 1039730098 /nfs/dbraw/zinc/73/00/98/1039730098.db2.gz XMEDCXOSBLNCAP-NRFANRHFSA-N 1 0 387.605 3.806 20 30 GHEDRO CCOC(=O)[C@]12CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC001462400281 1070228373 /nfs/dbraw/zinc/22/83/73/1070228373.db2.gz ZYSPDGYIRSNMPL-FJIJXJHWSA-N 1 0 395.547 3.624 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)(F)F ZINC001277840850 1039933136 /nfs/dbraw/zinc/93/31/36/1039933136.db2.gz LKNJQJWTIUWABP-GVDBMIGSSA-N 1 0 376.463 3.502 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@@H]2C[C@]3(CO2)CCC[NH2+]C3)cc1 ZINC001254066063 1039980636 /nfs/dbraw/zinc/98/06/36/1039980636.db2.gz ACAHHHPYIFRJGS-WIOPSUGQSA-N 1 0 398.510 3.752 20 30 GHEDRO COc1cccc(C[C@H](CO)[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)c1 ZINC001254348134 1040181459 /nfs/dbraw/zinc/18/14/59/1040181459.db2.gz CBLISSDYUSELHM-WQMHRJNTSA-N 1 0 382.479 3.731 20 30 GHEDRO CC(C)NC(=O)N1CCC([NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254349796 1040183323 /nfs/dbraw/zinc/18/33/23/1040183323.db2.gz RUTZXQYCHSPRNI-UHFFFAOYSA-N 1 0 386.515 3.702 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001254355514 1040187875 /nfs/dbraw/zinc/18/78/75/1040187875.db2.gz HEUXVXFYIGWTDW-UHFFFAOYSA-N 1 0 383.511 3.864 20 30 GHEDRO CCn1ncc2c1[C@@H](COC)C[N@@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)C2 ZINC001254355375 1040188115 /nfs/dbraw/zinc/18/81/15/1040188115.db2.gz SJSBFQJTEIZPGW-FBHNJWQJSA-N 1 0 396.510 3.992 20 30 GHEDRO COc1cccc(N2CC[NH+](C3CCC(C#N)(c4ccc(F)cc4)CC3)CC2)n1 ZINC001254358718 1040191542 /nfs/dbraw/zinc/19/15/42/1040191542.db2.gz JTZFPEADRKDIMG-UHFFFAOYSA-N 1 0 394.494 3.755 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1c[nH]c3cc(C#N)ccc13)CC2 ZINC001235021227 1040512456 /nfs/dbraw/zinc/51/24/56/1040512456.db2.gz XYYOYSGBRTWWOX-UHFFFAOYSA-N 1 0 386.499 3.685 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001278811591 1040535512 /nfs/dbraw/zinc/53/55/12/1040535512.db2.gz APWKZQLLKSDOKO-UHFFFAOYSA-N 1 0 399.336 3.747 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001235126472 1040618565 /nfs/dbraw/zinc/61/85/65/1040618565.db2.gz IQTARJQRSYZJQD-UHFFFAOYSA-N 1 0 392.547 3.666 20 30 GHEDRO C=C[C@@H](COC)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001255031264 1040742199 /nfs/dbraw/zinc/74/21/99/1040742199.db2.gz LDFATPLAMHRGQE-HNNXBMFYSA-N 1 0 388.339 3.658 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150443 1040867363 /nfs/dbraw/zinc/86/73/63/1040867363.db2.gz UXRFCGLJAWXHCE-YUMYIRISSA-N 1 0 383.536 3.559 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccc(C#N)cc3)CC1)C2 ZINC001255209744 1040905704 /nfs/dbraw/zinc/90/57/04/1040905704.db2.gz HTIODPODGCUQTE-ZBYYUNFXSA-N 1 0 381.520 3.965 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001235513412 1040969442 /nfs/dbraw/zinc/96/94/42/1040969442.db2.gz IQJJBKTXYURVNO-JTHBVZDNSA-N 1 0 377.488 3.598 20 30 GHEDRO COCC[N@H+](Cc1ccccc1CC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001235529834 1040976683 /nfs/dbraw/zinc/97/66/83/1040976683.db2.gz PQQHZUPFKWNLGH-UHFFFAOYSA-N 1 0 387.524 3.601 20 30 GHEDRO N#Cc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c(F)c1 ZINC001255408974 1040996550 /nfs/dbraw/zinc/99/65/50/1040996550.db2.gz RERNHKXQEBALRL-QFIPXVFZSA-N 1 0 392.522 3.874 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cccn1C(=O)OC(C)(C)C)C2 ZINC001235624407 1041049595 /nfs/dbraw/zinc/04/95/95/1041049595.db2.gz BFONYMPLEHFWJS-DENIHFKCSA-N 1 0 390.524 3.845 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)[C@@H]1c1ccccc1 ZINC001235657088 1041106360 /nfs/dbraw/zinc/10/63/60/1041106360.db2.gz KVHBWIUZLJXPIN-FQEVSTJZSA-N 1 0 381.426 3.632 20 30 GHEDRO C[C@H](CC(F)(F)F)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255652087 1041191688 /nfs/dbraw/zinc/19/16/88/1041191688.db2.gz FKHNZHRVIISYOD-APWZRJJASA-N 1 0 381.442 3.818 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC001235760142 1041249249 /nfs/dbraw/zinc/24/92/49/1041249249.db2.gz MSTYVLPIYMGSKJ-HXUWFJFHSA-N 1 0 398.348 3.876 20 30 GHEDRO C=CC[NH2+]CCN1CCO[C@@H]([C@H](Oc2ccccc2OCC)c2ccccc2)C1 ZINC001235866093 1041399072 /nfs/dbraw/zinc/39/90/72/1041399072.db2.gz VHVPSLUVRAJGSS-DNQXCXABSA-N 1 0 396.531 3.682 20 30 GHEDRO CSc1nc(CN(CC[NH3+])Cc2ccc(Cl)cc2Cl)ccc1C#N ZINC001235888169 1041413188 /nfs/dbraw/zinc/41/31/88/1041413188.db2.gz KQKGENBAFUFOKF-UHFFFAOYSA-N 1 0 381.332 3.943 20 30 GHEDRO Cc1c(C(=O)Nc2ccccc2C#N)cccc1-c1cnn(CCC[NH+](C)C)c1 ZINC001236152211 1041573938 /nfs/dbraw/zinc/57/39/38/1041573938.db2.gz DFUQCZNMKBUBCQ-UHFFFAOYSA-N 1 0 387.487 3.934 20 30 GHEDRO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](N)C(=O)OC)C2)cc1 ZINC001236273274 1041649411 /nfs/dbraw/zinc/64/94/11/1041649411.db2.gz CYCFEAYORZNMFN-CTNGQTDRSA-N 1 0 376.541 3.748 20 30 GHEDRO COc1ccc(C[C@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001256233664 1041669025 /nfs/dbraw/zinc/66/90/25/1041669025.db2.gz XGDGYUITMWXYRL-HTAPYJJXSA-N 1 0 377.488 3.625 20 30 GHEDRO CN(C)c1ccc(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)c(F)c1C#N ZINC001236393132 1041697210 /nfs/dbraw/zinc/69/72/10/1041697210.db2.gz CNGSLQBZTWNIGL-IBGZPJMESA-N 1 0 384.474 3.657 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@@H](C)Cc3ccccn3)c3ccccc32)cc1 ZINC001256409958 1041721981 /nfs/dbraw/zinc/72/19/81/1041721981.db2.gz PGDFLHCVIGRWOP-KRWDZBQOSA-N 1 0 399.498 3.825 20 30 GHEDRO N#Cc1cc(F)c(CN(Cc2c(F)cccc2F)C2CC[NH2+]CC2)c(F)c1 ZINC001236515889 1041750053 /nfs/dbraw/zinc/75/00/53/1041750053.db2.gz LDNPHBPYHHJDGR-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cccc(Br)c1C)CC2 ZINC001236610909 1041780686 /nfs/dbraw/zinc/78/06/86/1041780686.db2.gz NWUBQIMBIQVBPF-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC001236861510 1041932543 /nfs/dbraw/zinc/93/25/43/1041932543.db2.gz SXQOEIWNFXONSE-HIFRSBDPSA-N 1 0 379.298 3.732 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c(Br)c1 ZINC001236946674 1041966790 /nfs/dbraw/zinc/96/67/90/1041966790.db2.gz DOXACKYVBJVCTC-UHFFFAOYSA-N 1 0 376.342 3.922 20 30 GHEDRO CCCCCCCOc1ccc(CN2CC[C@@]3(C(=O)OC)CC[NH2+][C@@H]3C2)cc1 ZINC001237065305 1042017327 /nfs/dbraw/zinc/01/73/27/1042017327.db2.gz UFYMEWYIHBRTFW-GGAORHGYSA-N 1 0 388.552 3.763 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237311417 1042139761 /nfs/dbraw/zinc/13/97/61/1042139761.db2.gz QAYBOKXSYZTSJC-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccccc1NC(=O)C(C)(C)C)C2 ZINC001237396867 1042189263 /nfs/dbraw/zinc/18/92/63/1042189263.db2.gz PHIMRWOLHWVPMD-WMZHIEFXSA-N 1 0 386.536 3.997 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c2cc(C#N)ccc21 ZINC001237465305 1042219478 /nfs/dbraw/zinc/21/94/78/1042219478.db2.gz HYUNXGAZAWRLQT-LJQANCHMSA-N 1 0 380.492 3.539 20 30 GHEDRO Cn1cc(C[NH+]2CCC(N3c4ccccc4CC3=O)CC2)c2cc(C#N)ccc21 ZINC001237467885 1042220136 /nfs/dbraw/zinc/22/01/36/1042220136.db2.gz GDTKCQSEZGFZHI-UHFFFAOYSA-N 1 0 384.483 3.604 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237467322 1042220499 /nfs/dbraw/zinc/22/04/99/1042220499.db2.gz TZVHBKZVZZESDN-GOSISDBHSA-N 1 0 382.508 3.929 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cn(C)c5ccc(C#N)cc45)C[C@H]3C2)cc1 ZINC001237467705 1042220536 /nfs/dbraw/zinc/22/05/36/1042220536.db2.gz SOKOPABVDZXAFZ-FGZHOGPDSA-N 1 0 384.527 3.922 20 30 GHEDRO COc1ccc([C@H](C[N@H+](C)Cc2ccnc(C#N)c2)C2(O)CCCCC2)cc1 ZINC001237468053 1042220566 /nfs/dbraw/zinc/22/05/66/1042220566.db2.gz CTACFWSFNRKVIC-QFIPXVFZSA-N 1 0 379.504 3.873 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c2cc(C#N)ccc21 ZINC001237473116 1042223813 /nfs/dbraw/zinc/22/38/13/1042223813.db2.gz FJZIQYNEJIBDMT-GOSISDBHSA-N 1 0 382.508 3.929 20 30 GHEDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473835 1042224916 /nfs/dbraw/zinc/22/49/16/1042224916.db2.gz WHZPOTGKGKLXEY-QAPCUYQASA-N 1 0 382.508 3.928 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)c(C)cc1O)C2 ZINC001237678777 1042320472 /nfs/dbraw/zinc/32/04/72/1042320472.db2.gz MCGQJZKOZHQSNN-VQIMIIECSA-N 1 0 396.325 3.789 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1 ZINC001237750532 1042352900 /nfs/dbraw/zinc/35/29/00/1042352900.db2.gz LCCGNSIHCWSKQX-FQEVSTJZSA-N 1 0 379.891 3.707 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]12 ZINC001237751045 1042353452 /nfs/dbraw/zinc/35/34/52/1042353452.db2.gz QZSXDEWHPPFCKO-DHIUTWEWSA-N 1 0 393.918 3.976 20 30 GHEDRO COCC[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237753079 1042354540 /nfs/dbraw/zinc/35/45/40/1042354540.db2.gz FFMKCJIZBJVHQK-GOSISDBHSA-N 1 0 393.915 3.669 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]12 ZINC001237756126 1042355595 /nfs/dbraw/zinc/35/55/95/1042355595.db2.gz VVXYEWNBNIRSMC-KBAYOESNSA-N 1 0 375.900 3.947 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccc(N3CCCCC3)n1)C2 ZINC001238001989 1042453137 /nfs/dbraw/zinc/45/31/37/1042453137.db2.gz ADUBHYGTTNMKSZ-QHCPKHFHSA-N 1 0 382.552 3.605 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c(Cl)c1 ZINC001238084424 1042486673 /nfs/dbraw/zinc/48/66/73/1042486673.db2.gz QZUMUHBBSZVWHN-CEMLEFRQSA-N 1 0 397.906 3.945 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)ccc1Cl ZINC001238190395 1042514244 /nfs/dbraw/zinc/51/42/44/1042514244.db2.gz GBKZVTKNHSXLKG-UHFFFAOYSA-N 1 0 379.891 3.666 20 30 GHEDRO N#Cc1cc(CN2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)ccc1Cl ZINC001238191758 1042515113 /nfs/dbraw/zinc/51/51/13/1042515113.db2.gz WFYAAHUNLHSESP-KSEOMHKRSA-N 1 0 397.906 3.945 20 30 GHEDRO COc1cc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)ccc1C#N ZINC001238405436 1042586070 /nfs/dbraw/zinc/58/60/70/1042586070.db2.gz FBRRJFDDPDFPGL-UHFFFAOYSA-N 1 0 388.446 3.764 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)ccc1C#N ZINC001238406421 1042586156 /nfs/dbraw/zinc/58/61/56/1042586156.db2.gz CLGIXKJGXPIGON-PMVMPFDFSA-N 1 0 390.531 3.694 20 30 GHEDRO COc1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)ccc1C#N ZINC001238407474 1042586784 /nfs/dbraw/zinc/58/67/84/1042586784.db2.gz NGRGFBFJAZDTPD-NRFANRHFSA-N 1 0 398.457 3.700 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)ccc1C#N ZINC001238407007 1042586854 /nfs/dbraw/zinc/58/68/54/1042586854.db2.gz KAOOHGYZIKTNRT-XMMPIXPASA-N 1 0 389.499 3.713 20 30 GHEDRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)ccc1C#N ZINC001238414374 1042588409 /nfs/dbraw/zinc/58/84/09/1042588409.db2.gz VUCDQBRSGXNHEW-ACDBMABISA-N 1 0 379.508 3.958 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cnc1C1CC1 ZINC001238621886 1042661999 /nfs/dbraw/zinc/66/19/99/1042661999.db2.gz MWCYHVKPJKDRGY-XMMPIXPASA-N 1 0 386.499 3.768 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)ccc1C#N ZINC001238774711 1042722881 /nfs/dbraw/zinc/72/28/81/1042722881.db2.gz KKBMBBRNPOVWGX-NRFANRHFSA-N 1 0 397.473 3.648 20 30 GHEDRO CCc1cc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)ccc1C#N ZINC001238776010 1042723272 /nfs/dbraw/zinc/72/32/72/1042723272.db2.gz RKZBWKJACIVVAA-RBZQAINGSA-N 1 0 391.515 3.712 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001238815369 1042737907 /nfs/dbraw/zinc/73/79/07/1042737907.db2.gz CUUXNLLXXCVSFA-UHFFFAOYSA-N 1 0 382.570 3.554 20 30 GHEDRO CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001238902461 1042748675 /nfs/dbraw/zinc/74/86/75/1042748675.db2.gz FAZXXWXLMIVFGD-UHFFFAOYSA-N 1 0 397.544 3.575 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N(CCOCC)C1CC[NH2+]CC1 ZINC001239147146 1042773030 /nfs/dbraw/zinc/77/30/30/1042773030.db2.gz NKFDEJRJDKUXHB-UHFFFAOYSA-N 1 0 376.607 3.547 20 30 GHEDRO N#Cc1cc(NC(=O)Nc2c(Cl)cccc2Cl)ccc1N1CC[NH2+]CC1 ZINC001239190307 1042782748 /nfs/dbraw/zinc/78/27/48/1042782748.db2.gz JJXKVEUNFBPTPM-UHFFFAOYSA-N 1 0 390.274 3.919 20 30 GHEDRO N#Cc1c2c(cnc1-c1cccc(C(=O)NCc3ccccc3)c1)C[NH2+]CCC2 ZINC001240073823 1042882056 /nfs/dbraw/zinc/88/20/56/1042882056.db2.gz LCGUPZDBSLHRDE-UHFFFAOYSA-N 1 0 382.467 3.586 20 30 GHEDRO CC(C)S(=O)(=O)c1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001240206999 1042908958 /nfs/dbraw/zinc/90/89/58/1042908958.db2.gz IWRDJKLYBZQZCT-UHFFFAOYSA-N 1 0 384.501 3.538 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4nccc(C(F)(F)F)c4C#N)cc3)CC2)CC1 ZINC001240573396 1042942239 /nfs/dbraw/zinc/94/22/39/1042942239.db2.gz KCPSEMCVKDMTCF-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO C[C@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291110198 1043084015 /nfs/dbraw/zinc/08/40/15/1043084015.db2.gz ZIWTUGCXCHJWGI-JBYIUTFZSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001291124912 1043095757 /nfs/dbraw/zinc/09/57/57/1043095757.db2.gz LQBMLEDEKVWKOD-MOPGFXCFSA-N 1 0 397.571 3.534 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001291181875 1043143575 /nfs/dbraw/zinc/14/35/75/1043143575.db2.gz VSLACYWPURLHKD-LJQANCHMSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001291505292 1043313615 /nfs/dbraw/zinc/31/36/15/1043313615.db2.gz GPCCJPXHMHJEHT-WFXMLNOXSA-N 1 0 390.551 3.888 20 30 GHEDRO C[C@@H]1C[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557456 1043527143 /nfs/dbraw/zinc/52/71/43/1043527143.db2.gz JNABBOMEBZLQCV-KNQAVFIVSA-N 1 0 392.522 3.872 20 30 GHEDRO CN(C(=O)NCC#CC[NH+](C)C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001256585585 1043555147 /nfs/dbraw/zinc/55/51/47/1043555147.db2.gz SYXRDCDOWLNAFE-FQEVSTJZSA-N 1 0 387.886 3.775 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCN(Cc3ccccc3)CC1)C2 ZINC001256605982 1043568805 /nfs/dbraw/zinc/56/88/05/1043568805.db2.gz LYLCQIFACWKCSR-RPWUZVMVSA-N 1 0 384.564 3.725 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[N@H+]2CC)cc1 ZINC001292457637 1043743150 /nfs/dbraw/zinc/74/31/50/1043743150.db2.gz IUTDRHOQTZMZBF-YLJYHZDGSA-N 1 0 380.540 3.588 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCC[N@H+]2CC)cc1 ZINC001292457632 1043743375 /nfs/dbraw/zinc/74/33/75/1043743375.db2.gz IUTDRHOQTZMZBF-FXAWDEMLSA-N 1 0 380.540 3.588 20 30 GHEDRO CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC001256951176 1043769679 /nfs/dbraw/zinc/76/96/79/1043769679.db2.gz ZHKMVVSLXSEMRJ-JLAWEPINSA-N 1 0 386.540 3.917 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](C4CCC(C#N)CC4)C3)C2)c1 ZINC001256968707 1043776738 /nfs/dbraw/zinc/77/67/38/1043776738.db2.gz KWXITUZXVICLDX-IRSIHTCSSA-N 1 0 378.520 3.559 20 30 GHEDRO N#CC1CCC([N@H+]2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)CC1 ZINC001256967481 1043776805 /nfs/dbraw/zinc/77/68/05/1043776805.db2.gz CCMIFRQOAFSULC-UHFFFAOYSA-N 1 0 394.544 3.556 20 30 GHEDRO CSc1ccc([C@H](O)[C@H](CO)[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001257010920 1043798641 /nfs/dbraw/zinc/79/86/41/1043798641.db2.gz MRXRRJPXMUOYLR-FRZIOBBBSA-N 1 0 396.556 3.990 20 30 GHEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H](NC(=O)C4CCOCC4)C3)CC2)cc1 ZINC001257022358 1043807943 /nfs/dbraw/zinc/80/79/43/1043807943.db2.gz KNPAJHBINFKJNF-GTMAMOSYSA-N 1 0 395.547 3.592 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2cc(OC)ccc2nc1C)C(C)C ZINC001292957778 1043965338 /nfs/dbraw/zinc/96/53/38/1043965338.db2.gz OSGJSLZIRZPYIA-JOCHJYFZSA-N 1 0 381.520 3.980 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(C)C ZINC001292958737 1043965533 /nfs/dbraw/zinc/96/55/33/1043965533.db2.gz NUTGTQGBIKKYRY-OAQYLSRUSA-N 1 0 384.499 3.655 20 30 GHEDRO CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](CC)C1CC1 ZINC001293302452 1044099746 /nfs/dbraw/zinc/09/97/46/1044099746.db2.gz JCBOAEBRFWTDSV-PXNSSMCTSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001293460579 1044191357 /nfs/dbraw/zinc/19/13/57/1044191357.db2.gz DSNBTNCXNLHSRY-IBGZPJMESA-N 1 0 392.551 3.785 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3COC4(CN(C(=O)OC(C)(C)C)C4)C3)C[C@H](C1)C2 ZINC001257886687 1044244743 /nfs/dbraw/zinc/24/47/43/1044244743.db2.gz BPROMZKEDHWJOJ-TUVJXNFZSA-N 1 0 376.541 3.737 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)/C=C\c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC001293866074 1044353385 /nfs/dbraw/zinc/35/33/85/1044353385.db2.gz ZWWQDQKKNZPPBX-ZINDKQITSA-N 1 0 386.492 3.669 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCC(CC(=O)OCC)CC1)C2 ZINC001258032133 1044358372 /nfs/dbraw/zinc/35/83/72/1044358372.db2.gz LWMQNVCEYGWMBE-PEVXEQIPSA-N 1 0 379.541 3.572 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@H]21 ZINC001258046846 1044369558 /nfs/dbraw/zinc/36/95/58/1044369558.db2.gz FGRBWSKJLFFDIK-GXRSIYKFSA-N 1 0 394.600 3.996 20 30 GHEDRO CCCCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001258229667 1044479306 /nfs/dbraw/zinc/47/93/06/1044479306.db2.gz UDKGVOVUVQIDFX-AQNXPRMDSA-N 1 0 387.634 3.576 20 30 GHEDRO C=CC1(CC(=O)Nc2ccc(C[NH+](C)C)c(F)c2)CN(C(=O)OC(C)(C)C)C1 ZINC001294117074 1044480512 /nfs/dbraw/zinc/48/05/12/1044480512.db2.gz GKHRFVRJULKXEG-UHFFFAOYSA-N 1 0 391.487 3.639 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001294217736 1044530523 /nfs/dbraw/zinc/53/05/23/1044530523.db2.gz LDDHYRMBSGSCKJ-CTNGQTDRSA-N 1 0 392.551 3.927 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001258714104 1044729920 /nfs/dbraw/zinc/72/99/20/1044729920.db2.gz IFNXMBWODSFUIV-KRWDZBQOSA-N 1 0 399.601 3.857 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)CC)n2Cc2ccc(C#N)o2)CC1 ZINC001294675937 1044760078 /nfs/dbraw/zinc/76/00/78/1044760078.db2.gz UHLNLVLMBNLAMH-MRXNPFEDSA-N 1 0 384.528 3.615 20 30 GHEDRO COc1cc(C[C@H](C)NC(=[NH2+])c2ccc3ccccc3n2)cc(OC)c1OC ZINC001258860910 1044800693 /nfs/dbraw/zinc/80/06/93/1044800693.db2.gz ZGMRSFQWBSEOHS-AWEZNQCLSA-N 1 0 379.460 3.597 20 30 GHEDRO CC[N@H+](CCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)C#N)C1CC1 ZINC001295828442 1045156663 /nfs/dbraw/zinc/15/66/63/1045156663.db2.gz ZAMPDDAUTGQINE-MRXNPFEDSA-N 1 0 392.507 3.771 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001296040455 1045230978 /nfs/dbraw/zinc/23/09/78/1045230978.db2.gz VMIYCKBGQIPYPT-JKSUJKDBSA-N 1 0 386.931 3.536 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C#N ZINC001296061288 1045238430 /nfs/dbraw/zinc/23/84/30/1045238430.db2.gz JWAOZTBSKYRLDT-IAGOWNOFSA-N 1 0 391.523 3.507 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C ZINC001296090665 1045251173 /nfs/dbraw/zinc/25/11/73/1045251173.db2.gz WJWHEGQGSRPKGV-FXAWDEMLSA-N 1 0 378.524 3.680 20 30 GHEDRO Cc1cccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C#N ZINC001462897346 1070637028 /nfs/dbraw/zinc/63/70/28/1070637028.db2.gz QRNASUXOUOUZQZ-OAQYLSRUSA-N 1 0 397.544 3.618 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(C)(C)C2)C[C@@H]1C ZINC001296149041 1045265424 /nfs/dbraw/zinc/26/54/24/1045265424.db2.gz HHHLQQIYMGSEOH-KRWDZBQOSA-N 1 0 392.551 3.783 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001298070213 1045693848 /nfs/dbraw/zinc/69/38/48/1045693848.db2.gz IYDRFFCDCTVKTI-FQEVSTJZSA-N 1 0 392.551 3.641 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cccc(C#N)c1C ZINC001261141682 1045907983 /nfs/dbraw/zinc/90/79/83/1045907983.db2.gz FJJHAOXFYMYONR-UHFFFAOYSA-N 1 0 393.487 3.926 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001300913577 1046237774 /nfs/dbraw/zinc/23/77/74/1046237774.db2.gz XYHUEGBHYOADJE-RBUKOAKNSA-N 1 0 375.561 3.797 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300918682 1046240839 /nfs/dbraw/zinc/24/08/39/1046240839.db2.gz FINRCKDPIFQNFL-FQEVSTJZSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301044526 1046306346 /nfs/dbraw/zinc/30/63/46/1046306346.db2.gz JKLHZJBQJMICPI-MJGOQNOKSA-N 1 0 385.943 3.603 20 30 GHEDRO C=C(Cl)Cn1c(CC2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001301050209 1046309613 /nfs/dbraw/zinc/30/96/13/1046309613.db2.gz NEIVONZUOXTEHS-QGZVFWFLSA-N 1 0 385.943 3.694 20 30 GHEDRO C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001301092565 1046335857 /nfs/dbraw/zinc/33/58/57/1046335857.db2.gz WXJPYQFAJNNETK-LJQANCHMSA-N 1 0 395.551 3.539 20 30 GHEDRO C=C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301091491 1046335971 /nfs/dbraw/zinc/33/59/71/1046335971.db2.gz GDXORHIJPJCDPA-HXUWFJFHSA-N 1 0 395.551 3.540 20 30 GHEDRO C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001301208764 1046404612 /nfs/dbraw/zinc/40/46/12/1046404612.db2.gz CZMSWMWXAOONCM-CVEARBPZSA-N 1 0 388.947 3.879 20 30 GHEDRO C=CC[C@@H](c1nnc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)n1C)c1ccccc1 ZINC001262912368 1046416798 /nfs/dbraw/zinc/41/67/98/1046416798.db2.gz YTYRVAIPAKVFIU-DOIPELPJSA-N 1 0 379.552 3.690 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001301281075 1046450581 /nfs/dbraw/zinc/45/05/81/1046450581.db2.gz AOIDIHJPKQYQKR-SFHVURJKSA-N 1 0 383.540 3.698 20 30 GHEDRO C=CCN(c1nnc(C)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1)C1CC1 ZINC001301314235 1046477591 /nfs/dbraw/zinc/47/75/91/1046477591.db2.gz QJUXIMMGONIBKZ-FQEVSTJZSA-N 1 0 381.524 3.587 20 30 GHEDRO CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001263033346 1046520838 /nfs/dbraw/zinc/52/08/38/1046520838.db2.gz MIENRXLHJZNCEH-SJORKVTESA-N 1 0 382.512 3.520 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001301554576 1046595034 /nfs/dbraw/zinc/59/50/34/1046595034.db2.gz IOEMMAULERHMOU-UXHICEINSA-N 1 0 387.572 3.591 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC001301880035 1046743652 /nfs/dbraw/zinc/74/36/52/1046743652.db2.gz IOLORGLFSPTVMT-DYESRHJHSA-N 1 0 379.529 3.677 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001301972233 1046770352 /nfs/dbraw/zinc/77/03/52/1046770352.db2.gz TVOKHMOCJRZOPO-MJGOQNOKSA-N 1 0 396.539 3.647 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000586051573 1046876736 /nfs/dbraw/zinc/87/67/36/1046876736.db2.gz VZTQRYKPSBZCIY-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(CCCCC#N)n2Cc2cccs2)CC1 ZINC001263489868 1046890923 /nfs/dbraw/zinc/89/09/23/1046890923.db2.gz BKDUZMYNQBACEZ-UHFFFAOYSA-N 1 0 386.569 3.591 20 30 GHEDRO CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)C1 ZINC001302730339 1047072401 /nfs/dbraw/zinc/07/24/01/1047072401.db2.gz WWTQVFACGIOZTC-OAQYLSRUSA-N 1 0 392.551 3.785 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCCCCC1 ZINC001303271620 1047333833 /nfs/dbraw/zinc/33/38/33/1047333833.db2.gz PKDJEXLPZCIPGD-UHFFFAOYSA-N 1 0 380.540 3.927 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001304294530 1047636936 /nfs/dbraw/zinc/63/69/36/1047636936.db2.gz QWGGBARVOGGKQP-ZACQAIPSSA-N 1 0 384.528 3.705 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001265828972 1047680778 /nfs/dbraw/zinc/68/07/78/1047680778.db2.gz WUEYBBPWDZUGPG-QFIPXVFZSA-N 1 0 378.516 3.917 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[NH+](C(C)C)C(C)C ZINC001304529199 1047702569 /nfs/dbraw/zinc/70/25/69/1047702569.db2.gz GUZPVSBDTKEDKF-JOCHJYFZSA-N 1 0 398.530 3.814 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC3(CN(Cc4cc(Cl)ccc4Cl)C3)C2)cc1C#N ZINC001279351175 1047777046 /nfs/dbraw/zinc/77/70/46/1047777046.db2.gz PTIMCMAXJQSPOQ-UHFFFAOYSA-N 1 0 389.330 3.911 20 30 GHEDRO C[C@H]1CCC[N@H+](CCn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001305050225 1047856584 /nfs/dbraw/zinc/85/65/84/1047856584.db2.gz VCRKXGYGGOHVDT-WMZHIEFXSA-N 1 0 398.599 3.873 20 30 GHEDRO CSCCC[NH2+]C12CC(C(=O)Nc3sc4c(c3C#N)CCCC4)(C1)C2 ZINC001280279692 1048160004 /nfs/dbraw/zinc/16/00/04/1048160004.db2.gz WDCCVQAPPFZRQL-UHFFFAOYSA-N 1 0 375.563 3.702 20 30 GHEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@]2(CCCN(S(=O)(=O)[C@H](C)C#N)C2)C1 ZINC001280299175 1048167667 /nfs/dbraw/zinc/16/76/67/1048167667.db2.gz FUWHOJOMNVUQFV-AABGKKOBSA-N 1 0 383.602 3.623 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C)CC1 ZINC001305607498 1048179642 /nfs/dbraw/zinc/17/96/42/1048179642.db2.gz QDQYDJNBFMKOLY-GOSISDBHSA-N 1 0 378.524 3.703 20 30 GHEDRO CC[C@H](c1nnc(N(C)C[C@@H](C)C#N)n1CCC[NH+]1CCCC1)c1ccccc1 ZINC001305656716 1048204899 /nfs/dbraw/zinc/20/48/99/1048204899.db2.gz QWYDXUPSEUIBDQ-FPOVZHCZSA-N 1 0 394.567 3.902 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001305717405 1048229052 /nfs/dbraw/zinc/22/90/52/1048229052.db2.gz SQCMGUIPWOQKBQ-LJQANCHMSA-N 1 0 388.604 3.973 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)C)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001286274235 1048246953 /nfs/dbraw/zinc/24/69/53/1048246953.db2.gz MXYVSEDYLGWOBE-LJQANCHMSA-N 1 0 379.552 3.894 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286283971 1048253614 /nfs/dbraw/zinc/25/36/14/1048253614.db2.gz WCXQGXUMWRJURQ-SJORKVTESA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001286314535 1048268113 /nfs/dbraw/zinc/26/81/13/1048268113.db2.gz QGUICXACLDGLHE-FQEVSTJZSA-N 1 0 379.552 3.916 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001305921757 1048312816 /nfs/dbraw/zinc/31/28/16/1048312816.db2.gz WASVHRDPTTXRGC-DLBZAZTESA-N 1 0 380.540 3.729 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCC[N@H+](C)C(C)C ZINC001286423409 1048314942 /nfs/dbraw/zinc/31/49/42/1048314942.db2.gz LJSHZTJGVOTOGK-UHFFFAOYSA-N 1 0 397.954 3.792 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001286455113 1048332329 /nfs/dbraw/zinc/33/23/29/1048332329.db2.gz SDDQVYCDSPJRSE-NRFANRHFSA-N 1 0 397.542 3.733 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001286571239 1048370243 /nfs/dbraw/zinc/37/02/43/1048370243.db2.gz KAZWMBQSWXVBKI-HXUWFJFHSA-N 1 0 380.540 3.759 20 30 GHEDRO C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001286619516 1048391062 /nfs/dbraw/zinc/39/10/62/1048391062.db2.gz BGEZLBOSNCGULH-KRWDZBQOSA-N 1 0 387.959 3.909 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001286625713 1048395973 /nfs/dbraw/zinc/39/59/73/1048395973.db2.gz YYMYYDHIUNPBQW-CABCVRRESA-N 1 0 375.879 3.510 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1CCCC[NH+]1CCC(C)CC1 ZINC001306079441 1048397563 /nfs/dbraw/zinc/39/75/63/1048397563.db2.gz RBAODRCUWILADZ-UHFFFAOYSA-N 1 0 394.567 3.861 20 30 GHEDRO C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286629635 1048398521 /nfs/dbraw/zinc/39/85/21/1048398521.db2.gz MHFMYRQWQHWMKW-OAHLLOKOSA-N 1 0 379.980 3.930 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001286645976 1048412193 /nfs/dbraw/zinc/41/21/93/1048412193.db2.gz KCRMVWUOOZTBHL-VQTJNVASSA-N 1 0 387.572 3.593 20 30 GHEDRO C=CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001286716670 1048471939 /nfs/dbraw/zinc/47/19/39/1048471939.db2.gz KPAFDAKBFMQARE-QGZVFWFLSA-N 1 0 390.535 3.907 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001286722417 1048479962 /nfs/dbraw/zinc/47/99/62/1048479962.db2.gz IOLBDFCAKDALHG-GOSISDBHSA-N 1 0 382.537 3.635 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001286723472 1048480849 /nfs/dbraw/zinc/48/08/49/1048480849.db2.gz PSFLATJSANEBOE-MOPGFXCFSA-N 1 0 387.503 3.584 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001286723474 1048481107 /nfs/dbraw/zinc/48/11/07/1048481107.db2.gz PSFLATJSANEBOE-RBUKOAKNSA-N 1 0 387.503 3.584 20 30 GHEDRO C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCC1CC[NH+](CC)CC1 ZINC001286729368 1048486033 /nfs/dbraw/zinc/48/60/33/1048486033.db2.gz QNSUMNKUTQHLSA-UHFFFAOYSA-N 1 0 397.567 3.910 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286771914 1048519900 /nfs/dbraw/zinc/51/99/00/1048519900.db2.gz MINNVPBNIZGXRG-UHFFFAOYSA-N 1 0 383.515 3.971 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286800141 1048528508 /nfs/dbraw/zinc/52/85/08/1048528508.db2.gz GYCWIFRLIILYMB-MTQWCTHYSA-N 1 0 389.588 3.693 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001286967188 1048558264 /nfs/dbraw/zinc/55/82/64/1048558264.db2.gz CIAVPOFNYWIHGX-QAPCUYQASA-N 1 0 386.569 3.896 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C2CC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001306325025 1048569755 /nfs/dbraw/zinc/56/97/55/1048569755.db2.gz VQODLDDAOWZIIK-OAQYLSRUSA-N 1 0 392.551 3.928 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+](C)C(C)C ZINC001306344336 1048583662 /nfs/dbraw/zinc/58/36/62/1048583662.db2.gz IKMFPLPZNUZBCI-HXUWFJFHSA-N 1 0 380.540 3.926 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCC1 ZINC001287240165 1048677732 /nfs/dbraw/zinc/67/77/32/1048677732.db2.gz WKAUEQNGVXPOGK-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C#N)[NH+](C)C ZINC001287328580 1048716095 /nfs/dbraw/zinc/71/60/95/1048716095.db2.gz HYMSMKRSOLCAND-DLBZAZTESA-N 1 0 386.519 3.656 20 30 GHEDRO CC(C)CCN(CCC#N)c1nnc(C(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287597406 1048841974 /nfs/dbraw/zinc/84/19/74/1048841974.db2.gz HFPLHEXDKZYCIS-FQEVSTJZSA-N 1 0 392.617 3.605 20 30 GHEDRO CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001287610146 1048847464 /nfs/dbraw/zinc/84/74/64/1048847464.db2.gz AROSUSOTTSXCCP-HXUWFJFHSA-N 1 0 378.524 3.537 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001306722790 1048849075 /nfs/dbraw/zinc/84/90/75/1048849075.db2.gz LCMGRCNCMZTWKJ-NQIIRXRSSA-N 1 0 388.535 3.642 20 30 GHEDRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(C)CC2)CC1 ZINC001287752885 1048909321 /nfs/dbraw/zinc/90/93/21/1048909321.db2.gz QGOPJVKADKRUNJ-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001287983714 1048962101 /nfs/dbraw/zinc/96/21/01/1048962101.db2.gz KHVYGJWHJIBYBH-GCJKJVERSA-N 1 0 395.555 3.524 20 30 GHEDRO N#Cc1cccc(Br)c1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001306929238 1048964711 /nfs/dbraw/zinc/96/47/11/1048964711.db2.gz ZNMCZAWAIHTPCY-UHFFFAOYSA-N 1 0 399.336 3.945 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](Nc2cc(Br)ccc2C#N)[C@H](C)C1 ZINC001306968689 1048984570 /nfs/dbraw/zinc/98/45/70/1048984570.db2.gz AASBOPBVKXGEAM-RHSMWYFYSA-N 1 0 380.330 3.870 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001306993200 1048996274 /nfs/dbraw/zinc/99/62/74/1048996274.db2.gz WFHMGGNGZPQWRN-MJGOQNOKSA-N 1 0 391.475 3.540 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)CC1 ZINC001307046304 1049038864 /nfs/dbraw/zinc/03/88/64/1049038864.db2.gz WPTYIUVSPKKVCV-OXQOHEQNSA-N 1 0 378.524 3.708 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CC#N)[N@H+](C)C1CC1 ZINC001288515383 1049121729 /nfs/dbraw/zinc/12/17/29/1049121729.db2.gz ZLXORPRNSDPRKG-LSDHHAIUSA-N 1 0 386.931 3.820 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC1(C)C)[N@H+](C)C1CC1 ZINC001288614492 1049162032 /nfs/dbraw/zinc/16/20/32/1049162032.db2.gz HELNDETXYSMVNQ-MRXNPFEDSA-N 1 0 378.524 3.678 20 30 GHEDRO CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1snc(C)c1C#N ZINC001289083845 1049317603 /nfs/dbraw/zinc/31/76/03/1049317603.db2.gz JNCLQCVEHAGHRV-GOSISDBHSA-N 1 0 382.533 3.978 20 30 GHEDRO CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001289122731 1049331024 /nfs/dbraw/zinc/33/10/24/1049331024.db2.gz JQLCPIOWNQVBFR-UHFFFAOYSA-N 1 0 392.551 3.951 20 30 GHEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC001307613221 1049450192 /nfs/dbraw/zinc/45/01/92/1049450192.db2.gz KAQMOFHXJUPDNX-NRFANRHFSA-N 1 0 390.483 3.672 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001307666578 1049489073 /nfs/dbraw/zinc/48/90/73/1049489073.db2.gz FJTRRLIXJDSEOQ-QGZVFWFLSA-N 1 0 398.425 3.830 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC001307696935 1049515167 /nfs/dbraw/zinc/51/51/67/1049515167.db2.gz QFUDEMYGTKLECD-RPWUZVMVSA-N 1 0 375.516 3.958 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC001307716153 1049531198 /nfs/dbraw/zinc/53/11/98/1049531198.db2.gz RWEMRXBDBHIQIT-OAHLLOKOSA-N 1 0 377.271 3.884 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1N1CCCCC1 ZINC001307806521 1049604952 /nfs/dbraw/zinc/60/49/52/1049604952.db2.gz CAZLUPVEAJSMIO-OAQYLSRUSA-N 1 0 376.504 3.905 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001289909149 1049677040 /nfs/dbraw/zinc/67/70/40/1049677040.db2.gz MDIGKNZRUKWVKD-PKOBYXMFSA-N 1 0 395.555 3.507 20 30 GHEDRO COC(=O)C1(c2ccc(C[NH+]3CCC(c4ccc(C#N)cn4)CC3)cc2)CC1 ZINC001307956707 1049722156 /nfs/dbraw/zinc/72/21/56/1049722156.db2.gz CBSXLEPYVGNLSV-UHFFFAOYSA-N 1 0 375.472 3.537 20 30 GHEDRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC001307973014 1049731795 /nfs/dbraw/zinc/73/17/95/1049731795.db2.gz VUXHRYIDJNHBRT-VWNXMTODSA-N 1 0 378.516 3.898 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290144583 1049744300 /nfs/dbraw/zinc/74/43/00/1049744300.db2.gz BOKJHQUKOUJMGS-PZJWPPBQSA-N 1 0 396.583 3.892 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001308039418 1049791181 /nfs/dbraw/zinc/79/11/81/1049791181.db2.gz PISKDFYIJVVGMS-WHRZTLTBSA-N 1 0 389.584 3.834 20 30 GHEDRO C#CC[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 ZINC001308104292 1049849932 /nfs/dbraw/zinc/84/99/32/1049849932.db2.gz PYCPZWHXQSSQSN-QFIPXVFZSA-N 1 0 397.563 3.552 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2([C@@H]3CCCCO3)CC2)ccc1Cl ZINC001308106078 1049851385 /nfs/dbraw/zinc/85/13/85/1049851385.db2.gz XCPWIPLUXWMKIW-SFHVURJKSA-N 1 0 375.900 3.586 20 30 GHEDRO C=CCN(CC=C)[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2C)CC1)C(C)C ZINC001308196196 1049908316 /nfs/dbraw/zinc/90/83/16/1049908316.db2.gz DCQNCESHJGJVJS-HSZRJFAPSA-N 1 0 383.580 3.888 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2c(C)cc(C#N)cc2C)c1 ZINC001308319427 1049947762 /nfs/dbraw/zinc/94/77/62/1049947762.db2.gz GDYCLHHSGQNJFO-UHFFFAOYSA-N 1 0 378.520 3.859 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N(CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC001290949042 1049958789 /nfs/dbraw/zinc/95/87/89/1049958789.db2.gz JOSFFHTWNJXDJG-UHFFFAOYSA-N 1 0 386.323 3.678 20 30 GHEDRO Cc1csc(N2CCC([NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)CC2)n1 ZINC001308451879 1049979707 /nfs/dbraw/zinc/97/97/07/1049979707.db2.gz QRFDOUKPLIGLHR-UHFFFAOYSA-N 1 0 395.576 3.546 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001308518288 1049997044 /nfs/dbraw/zinc/99/70/44/1049997044.db2.gz DZKQFPOJACINDW-DZGCQCFKSA-N 1 0 392.215 3.661 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001308536443 1050001756 /nfs/dbraw/zinc/00/17/56/1050001756.db2.gz HONCCGUHMIUAKD-IBGZPJMESA-N 1 0 386.540 3.772 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001308592998 1050023837 /nfs/dbraw/zinc/02/38/37/1050023837.db2.gz YTTLKMAKGDOQHY-INIZCTEOSA-N 1 0 386.540 3.749 20 30 GHEDRO CC(C)(C[NH+]1CCN(c2ncccc2C#N)CC1)c1ccc(Br)cc1 ZINC001308645912 1050045929 /nfs/dbraw/zinc/04/59/29/1050045929.db2.gz WPVHAQBJNDLCDQ-UHFFFAOYSA-N 1 0 399.336 3.816 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(F)cc1 ZINC001327532599 1050207617 /nfs/dbraw/zinc/20/76/17/1050207617.db2.gz WWVMKEUZEKXSED-IEBWSBKVSA-N 1 0 375.394 3.834 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001308962612 1050223142 /nfs/dbraw/zinc/22/31/42/1050223142.db2.gz LSFANTCQZLICDB-AEFFLSMTSA-N 1 0 386.540 3.607 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC001327946400 1050332861 /nfs/dbraw/zinc/33/28/61/1050332861.db2.gz PQEKULHZHVRQPM-CUYAVPTFSA-N 1 0 376.378 3.832 20 30 GHEDRO C#CCC(CC#C)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001328033359 1050368103 /nfs/dbraw/zinc/36/81/03/1050368103.db2.gz NYKBGBUJFZREAC-HSZRJFAPSA-N 1 0 376.544 3.798 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC001330571547 1051030813 /nfs/dbraw/zinc/03/08/13/1051030813.db2.gz KJDLAFHWEOROHQ-WIYYLYMNSA-N 1 0 382.529 3.963 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001310212818 1051226946 /nfs/dbraw/zinc/22/69/46/1051226946.db2.gz BEHSDULSRLFBIV-QGZVFWFLSA-N 1 0 379.464 3.740 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc(Cl)nc([C@H]4CCCO4)n3)CC2)cc1 ZINC001331526644 1051311794 /nfs/dbraw/zinc/31/17/94/1051311794.db2.gz VLAUVPYSVDGVGV-GOSISDBHSA-N 1 0 397.910 3.565 20 30 GHEDRO C#CCN1CCC[C@H](NC(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC001310478603 1051384383 /nfs/dbraw/zinc/38/43/83/1051384383.db2.gz QRRJYBVGOBFRIN-AWEZNQCLSA-N 1 0 386.293 3.821 20 30 GHEDRO C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001332484014 1051530301 /nfs/dbraw/zinc/53/03/01/1051530301.db2.gz RDZDHAXXYYUDHF-NRFANRHFSA-N 1 0 385.552 3.679 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC001310713196 1051545761 /nfs/dbraw/zinc/54/57/61/1051545761.db2.gz PDBMUKUIFMTQMQ-UHFFFAOYSA-N 1 0 391.313 3.849 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1N=S(C)(C)=O)C(C)C ZINC001310744556 1051565278 /nfs/dbraw/zinc/56/52/78/1051565278.db2.gz AHGJFTARGXTCAB-IBGZPJMESA-N 1 0 392.569 3.866 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCC[NH+]1CCCCC1 ZINC001310960673 1051735675 /nfs/dbraw/zinc/73/56/75/1051735675.db2.gz NWNGROFAVFLICE-UHFFFAOYSA-N 1 0 379.464 3.661 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)C[C@H]2C1 ZINC001333929762 1051871150 /nfs/dbraw/zinc/87/11/50/1051871150.db2.gz HYKSGCHATWKTQN-IPMKNSEASA-N 1 0 393.487 3.533 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)C[C@@H]2C1 ZINC001333929753 1051871326 /nfs/dbraw/zinc/87/13/26/1051871326.db2.gz HYKSGCHATWKTQN-CEXWTWQISA-N 1 0 393.487 3.533 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)cc1 ZINC001334058249 1051894768 /nfs/dbraw/zinc/89/47/68/1051894768.db2.gz PISWCRWVRFWXJE-UHFFFAOYSA-N 1 0 379.504 3.921 20 30 GHEDRO COc1ncc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1C#N ZINC001311195012 1051933163 /nfs/dbraw/zinc/93/31/63/1051933163.db2.gz OZMUBGPQUALHHV-QGZVFWFLSA-N 1 0 399.520 3.618 20 30 GHEDRO C#Cc1ccc(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001311302377 1052001732 /nfs/dbraw/zinc/00/17/32/1052001732.db2.gz BQJNUUARLNCJNX-UHFFFAOYSA-N 1 0 377.488 3.507 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC#C[C@@H]1CCCCO1)c1ccccc1Cl ZINC001311568596 1052252148 /nfs/dbraw/zinc/25/21/48/1052252148.db2.gz SBJLHVQZIKRLLF-FXAWDEMLSA-N 1 0 391.943 3.595 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC001311764384 1052381766 /nfs/dbraw/zinc/38/17/66/1052381766.db2.gz HJQZFNGLTHKMCR-UHFFFAOYSA-N 1 0 390.531 3.976 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)c1 ZINC001337289859 1052441992 /nfs/dbraw/zinc/44/19/92/1052441992.db2.gz QVIQOLFMBUWSOY-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001311993516 1052519127 /nfs/dbraw/zinc/51/91/27/1052519127.db2.gz JGXFIECDNQHFRD-CRAIPNDOSA-N 1 0 381.442 3.887 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001311993519 1052519322 /nfs/dbraw/zinc/51/93/22/1052519322.db2.gz JGXFIECDNQHFRD-YJBOKZPZSA-N 1 0 381.442 3.887 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312012802 1052528438 /nfs/dbraw/zinc/52/84/38/1052528438.db2.gz QWBHIAOBXJZWKH-HSZRJFAPSA-N 1 0 390.531 3.969 20 30 GHEDRO C=CCC1(CNC(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CCCC1 ZINC001312015431 1052530703 /nfs/dbraw/zinc/53/07/03/1052530703.db2.gz GLTSXERZNFTQPR-UHFFFAOYSA-N 1 0 377.573 3.846 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC001312165092 1052609576 /nfs/dbraw/zinc/60/95/76/1052609576.db2.gz OOYBKMZAQKGKPZ-NRFANRHFSA-N 1 0 396.922 3.777 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001312616286 1052813480 /nfs/dbraw/zinc/81/34/80/1052813480.db2.gz MGQJLTGUYOORDJ-MAHYXTOZSA-N 1 0 377.573 3.510 20 30 GHEDRO C#CCN1CCC[C@H](NC(=O)NCc2cccc(Oc3ccccc3F)c2)C1 ZINC001312956400 1052920134 /nfs/dbraw/zinc/92/01/34/1052920134.db2.gz FNDNYGVZZLWBKB-SFHVURJKSA-N 1 0 381.451 3.515 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CN3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343452 1053118412 /nfs/dbraw/zinc/11/84/12/1053118412.db2.gz KPGPYTCXFQNBDT-QFUCXCTJSA-N 1 0 393.535 3.861 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)c1cccc(C)c1 ZINC001342455241 1053179071 /nfs/dbraw/zinc/17/90/71/1053179071.db2.gz OSMNHODNNJVWMX-HXUWFJFHSA-N 1 0 381.524 3.856 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCC1 ZINC001313711486 1053184799 /nfs/dbraw/zinc/18/47/99/1053184799.db2.gz DQCNKMNGGRYDLO-UHFFFAOYSA-N 1 0 380.540 3.929 20 30 GHEDRO CCn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1C1(C#N)CCCCC1 ZINC001342606547 1053261124 /nfs/dbraw/zinc/26/11/24/1053261124.db2.gz DGOXBZFCIVHPOU-UHFFFAOYSA-N 1 0 384.572 3.868 20 30 GHEDRO CCn1c(N2CCC[C@@H](CC#N)C2)nnc1[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001342717583 1053318385 /nfs/dbraw/zinc/31/83/85/1053318385.db2.gz VUJGALGRSHBLME-NZQKXSOJSA-N 1 0 392.551 3.592 20 30 GHEDRO CC(C)Cn1c(CC(C)(C)C#N)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001342825236 1053375171 /nfs/dbraw/zinc/37/51/71/1053375171.db2.gz XPNJUMTXPIKNQD-HXUWFJFHSA-N 1 0 394.567 3.737 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001342891686 1053414579 /nfs/dbraw/zinc/41/45/79/1053414579.db2.gz VNXAPSGCGAEGHZ-HSALFYBXSA-N 1 0 384.572 3.654 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CCCCC)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343055128 1053521440 /nfs/dbraw/zinc/52/14/40/1053521440.db2.gz PPYYQIPUYPLAQA-LWYYNNOASA-N 1 0 389.588 3.634 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CCCCC)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343055135 1053521614 /nfs/dbraw/zinc/52/16/14/1053521614.db2.gz PPYYQIPUYPLAQA-ZGXWSNOMSA-N 1 0 389.588 3.634 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3[nH]cnc3c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001343296151 1053684341 /nfs/dbraw/zinc/68/43/41/1053684341.db2.gz WJNQFIRYNDYUBA-KRWDZBQOSA-N 1 0 393.539 3.566 20 30 GHEDRO C[C@H]1CN(c2nnc(CCCC#N)n2Cc2cccs2)CC[N@@H+](C2CCC2)C1 ZINC001343525511 1053840406 /nfs/dbraw/zinc/84/04/06/1053840406.db2.gz FIIQUFCDMVTBMQ-QGZVFWFLSA-N 1 0 398.580 3.545 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nnc1C(C)(C)CC#N ZINC001343682361 1053970282 /nfs/dbraw/zinc/97/02/82/1053970282.db2.gz YLATZEGIJKNSIV-HXUWFJFHSA-N 1 0 398.599 3.994 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001343689727 1053974066 /nfs/dbraw/zinc/97/40/66/1053974066.db2.gz CSEOBZLXUWWMJO-XUVXKRRUSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1C(C)(C)COC ZINC001343782372 1054025479 /nfs/dbraw/zinc/02/54/79/1054025479.db2.gz ADTPHQIPGPJPSW-UHFFFAOYSA-N 1 0 389.588 3.623 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001343920049 1054117298 /nfs/dbraw/zinc/11/72/98/1054117298.db2.gz XGNHOJUQBZXIMJ-HXUWFJFHSA-N 1 0 398.599 3.895 20 30 GHEDRO C=CCC[C@H]1CCCN1c1nnc([C@H]2CCC[N@@H+](C)C2)n1C[C@H]1CCCCO1 ZINC001344299246 1054345993 /nfs/dbraw/zinc/34/59/93/1054345993.db2.gz ZDXCIOVGYNFPTO-SLFFLAALSA-N 1 0 387.572 3.591 20 30 GHEDRO N#CCOc1cccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC001318472585 1054662477 /nfs/dbraw/zinc/66/24/77/1054662477.db2.gz UKSDCICBKVBQRL-UHFFFAOYSA-N 1 0 380.448 3.777 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001318498724 1054679489 /nfs/dbraw/zinc/67/94/89/1054679489.db2.gz MRPAOEQRPPTLRI-NHCUHLMSSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001318501100 1054681718 /nfs/dbraw/zinc/68/17/18/1054681718.db2.gz SDYICKAUNUYISY-UHFFFAOYSA-N 1 0 399.410 3.872 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2nnc(CCCCC#N)n2CC2CC2)CC1 ZINC001345086198 1054896422 /nfs/dbraw/zinc/89/64/22/1054896422.db2.gz HZBUBCUFMNFHSH-IBGZPJMESA-N 1 0 392.551 3.808 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001318888051 1054935860 /nfs/dbraw/zinc/93/58/60/1054935860.db2.gz PNOTVHCXMYVGHP-GOSISDBHSA-N 1 0 397.544 3.606 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc([C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001345271133 1054968063 /nfs/dbraw/zinc/96/80/63/1054968063.db2.gz LLMBCPMXZCYRBL-MBSDFSHPSA-N 1 0 392.551 3.590 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300468655 1056205535 /nfs/dbraw/zinc/20/55/35/1056205535.db2.gz GZTKFMNMUAVUGM-FQEVSTJZSA-N 1 0 393.560 3.611 20 30 GHEDRO C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300476936 1056234146 /nfs/dbraw/zinc/23/41/46/1056234146.db2.gz YIXYZJRZCDOWEZ-LJQANCHMSA-N 1 0 397.592 3.680 20 30 GHEDRO C=CCOCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccccc1 ZINC001354158918 1056382491 /nfs/dbraw/zinc/38/24/91/1056382491.db2.gz YZJCLTKOCXHZBR-UHFFFAOYSA-N 1 0 397.567 3.586 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300572563 1056512409 /nfs/dbraw/zinc/51/24/09/1056512409.db2.gz XJCRPMJYAPQFAW-UHFFFAOYSA-N 1 0 389.547 3.530 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001300612268 1056650814 /nfs/dbraw/zinc/65/08/14/1056650814.db2.gz WWDRANGARRCERS-NRFANRHFSA-N 1 0 379.552 3.841 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300628914 1056720495 /nfs/dbraw/zinc/72/04/95/1056720495.db2.gz GKWUFXQXYXNQRV-LJQANCHMSA-N 1 0 397.542 3.588 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)Nc3cc(F)cc(F)c3)CC2)c1 ZINC001200683951 1056726723 /nfs/dbraw/zinc/72/67/23/1056726723.db2.gz SCKZVAVEUWAEBT-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492495911 1057030863 /nfs/dbraw/zinc/03/08/63/1057030863.db2.gz IMBVKXYPPPGPLT-MOPGFXCFSA-N 1 0 395.555 3.651 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)c1C#N ZINC000848371303 1057048752 /nfs/dbraw/zinc/04/87/52/1057048752.db2.gz SODMIKOTLSWZOB-LUAWRHEFSA-N 1 0 392.290 3.782 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@@]12CCC=C1OCC2 ZINC001355957479 1057333145 /nfs/dbraw/zinc/33/31/45/1057333145.db2.gz GMMZQVCOYRYOGJ-WZONZLPQSA-N 1 0 397.567 3.501 20 30 GHEDRO Cc1cc(C[C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)n(-c2ccccc2)n1 ZINC001325843752 1057372831 /nfs/dbraw/zinc/37/28/31/1057372831.db2.gz GVFNGLBPQPNICE-QGZVFWFLSA-N 1 0 387.487 3.602 20 30 GHEDRO C=C(C)Cn1c(-c2ccco2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356089217 1057385104 /nfs/dbraw/zinc/38/51/04/1057385104.db2.gz XXXVWRQMNCBNHR-IBGZPJMESA-N 1 0 377.492 3.825 20 30 GHEDRO C=CCn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1C(F)(F)CC1CC1 ZINC001356194328 1057424986 /nfs/dbraw/zinc/42/49/86/1057424986.db2.gz QITCSFUDYRESED-UHFFFAOYSA-N 1 0 379.499 3.811 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(C(=O)N3CCCc4c(C#N)cccc43)cc2)C[C@@H](C)O1 ZINC001326333142 1057458364 /nfs/dbraw/zinc/45/83/64/1057458364.db2.gz LCSYWMZVOXWSPM-QZTJIDSGSA-N 1 0 389.499 3.760 20 30 GHEDRO O=C1C[C@@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)CN1Cc1ccccc1 ZINC000849001856 1057506807 /nfs/dbraw/zinc/50/68/07/1057506807.db2.gz KLYPBUKRZGKGNE-NRFANRHFSA-N 1 0 390.531 3.989 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001356483664 1057526065 /nfs/dbraw/zinc/52/60/65/1057526065.db2.gz QLYMOFGKPBLJJR-UHFFFAOYSA-N 1 0 394.976 3.942 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001326847812 1057566884 /nfs/dbraw/zinc/56/68/84/1057566884.db2.gz UYGDRQROTPBYAG-HOTGVXAUSA-N 1 0 389.500 3.529 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCNc1ncccc1C#N)c1ccc(Cl)cc1Cl ZINC000849058863 1057569806 /nfs/dbraw/zinc/56/98/06/1057569806.db2.gz QUPJZAJVGWJYIK-LLVKDONJSA-N 1 0 377.279 3.547 20 30 GHEDRO CCN(Cc1ccccc1)C(=O)C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849063481 1057573749 /nfs/dbraw/zinc/57/37/49/1057573749.db2.gz HBOWEYKTPUMNCD-UHFFFAOYSA-N 1 0 378.520 3.989 20 30 GHEDRO COc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)cc1C#N ZINC001338143881 1058424046 /nfs/dbraw/zinc/42/40/46/1058424046.db2.gz DJDOVZQMZXQEOR-OAQYLSRUSA-N 1 0 377.488 3.546 20 30 GHEDRO N#CCc1ccccc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440709540 1058591464 /nfs/dbraw/zinc/59/14/64/1058591464.db2.gz MYFSTIBOLBPXPN-UHFFFAOYSA-N 1 0 387.405 3.729 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001338680020 1058728316 /nfs/dbraw/zinc/72/83/16/1058728316.db2.gz YYMOVKHRZKWSTP-HNNXBMFYSA-N 1 0 386.569 3.633 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC(COC)CC1 ZINC001338694263 1058734390 /nfs/dbraw/zinc/73/43/90/1058734390.db2.gz VEZANPVZNFCINE-FQEVSTJZSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001338782396 1058782301 /nfs/dbraw/zinc/78/23/01/1058782301.db2.gz ZGRJGGXJHIAVMU-NFBKMPQASA-N 1 0 377.488 3.640 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001442469858 1058964749 /nfs/dbraw/zinc/96/47/49/1058964749.db2.gz OIKOJJLWHSSZLJ-OAQYLSRUSA-N 1 0 376.500 3.731 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)CCC(C)(C)C ZINC001339131105 1058973333 /nfs/dbraw/zinc/97/33/33/1058973333.db2.gz PVTGRWGHCVQSAH-GOSISDBHSA-N 1 0 375.561 3.652 20 30 GHEDRO COc1cc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)ccc1C#N ZINC001442604272 1058982355 /nfs/dbraw/zinc/98/23/55/1058982355.db2.gz UXIQCLMJFQIDAB-UHFFFAOYSA-N 1 0 377.488 3.873 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC001339253925 1059043178 /nfs/dbraw/zinc/04/31/78/1059043178.db2.gz NJMSRRPHNPEPNW-HLAWJBBLSA-N 1 0 392.551 3.713 20 30 GHEDRO CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001339593014 1059329735 /nfs/dbraw/zinc/32/97/35/1059329735.db2.gz NRXWBNJWTPWJOI-SFTDATJTSA-N 1 0 392.551 3.808 20 30 GHEDRO Cn1c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001339933410 1059567647 /nfs/dbraw/zinc/56/76/47/1059567647.db2.gz JDIQZLVSHBRREH-WMZHIEFXSA-N 1 0 396.583 3.633 20 30 GHEDRO C=CCn1c([C@@H](O)CCCCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001340284735 1059822924 /nfs/dbraw/zinc/82/29/24/1059822924.db2.gz DSNAGLMBVXARLC-SFHVURJKSA-N 1 0 375.561 3.533 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC2(C[NH2+]C2)CC1 ZINC001340691308 1060053381 /nfs/dbraw/zinc/05/33/81/1060053381.db2.gz JBKJTOUDDITJPG-UHFFFAOYSA-N 1 0 398.322 3.802 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)CC1 ZINC001341294808 1060559856 /nfs/dbraw/zinc/55/98/56/1060559856.db2.gz OXSZGYLCEOAKQT-UHFFFAOYSA-N 1 0 394.567 3.828 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001341901725 1060944888 /nfs/dbraw/zinc/94/48/88/1060944888.db2.gz FACXOEINLYMLRS-ROUUACIJSA-N 1 0 375.561 3.795 20 30 GHEDRO C=C(C)Cn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@@]1(C)CCC=CO1 ZINC001341930724 1060956673 /nfs/dbraw/zinc/95/66/73/1060956673.db2.gz GXXDOQGBMGAYTR-OAQYLSRUSA-N 1 0 397.527 3.600 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001342013109 1060996130 /nfs/dbraw/zinc/99/61/30/1060996130.db2.gz SKVBGWDCIDKKFS-MRXNPFEDSA-N 1 0 379.499 3.822 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001342090436 1061051463 /nfs/dbraw/zinc/05/14/63/1061051463.db2.gz UUNKSELSNAXYQA-UXHICEINSA-N 1 0 384.572 3.791 20 30 GHEDRO C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342114667 1061065953 /nfs/dbraw/zinc/06/59/53/1061065953.db2.gz NIEBUNFYPNFUQY-LZLYRXPVSA-N 1 0 375.586 3.731 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001342224743 1061152550 /nfs/dbraw/zinc/15/25/50/1061152550.db2.gz JMTPUJPIICKGPW-MOPGFXCFSA-N 1 0 394.567 3.712 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@H](C#N)C1 ZINC001342232223 1061160115 /nfs/dbraw/zinc/16/01/15/1061160115.db2.gz KRWSUIATQBFYIN-NHCUHLMSSA-N 1 0 390.535 3.584 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)CC#N)n2CC2CC2)C1 ZINC001346033504 1061308082 /nfs/dbraw/zinc/30/80/82/1061308082.db2.gz ITKLVASAVFJQMO-FQEVSTJZSA-N 1 0 392.551 3.590 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001346525783 1061653692 /nfs/dbraw/zinc/65/36/92/1061653692.db2.gz ANQITQFBAGOEDK-QUCCMNQESA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc(OC)c1OC ZINC001454312309 1061711414 /nfs/dbraw/zinc/71/14/14/1061711414.db2.gz MAUJUAAJCZPWKP-OAQYLSRUSA-N 1 0 394.515 3.745 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001346691142 1061796659 /nfs/dbraw/zinc/79/66/59/1061796659.db2.gz DXOGBJZFEYMXMS-IPMKNSEASA-N 1 0 389.613 3.631 20 30 GHEDRO Cc1nnc(N(CCC#N)CC2CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001492790054 1061926984 /nfs/dbraw/zinc/92/69/84/1061926984.db2.gz RXKHTGIDJOYLDT-UHFFFAOYSA-N 1 0 398.580 3.690 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC1CC1 ZINC001346898818 1061969265 /nfs/dbraw/zinc/96/92/65/1061969265.db2.gz BJNCERKODISVOX-RBUKOAKNSA-N 1 0 392.551 3.806 20 30 GHEDRO N#Cc1ccc(C(=O)O[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001347302507 1062285151 /nfs/dbraw/zinc/28/51/51/1062285151.db2.gz XOPNLTWQFISADP-QFIPXVFZSA-N 1 0 390.483 3.929 20 30 GHEDRO N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)c2)cc1 ZINC001455779754 1062288219 /nfs/dbraw/zinc/28/82/19/1062288219.db2.gz IWHOODNEKYOLQE-RTWAWAEBSA-N 1 0 392.528 3.611 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2CC(C)C)CC1 ZINC001347571054 1062501339 /nfs/dbraw/zinc/50/13/39/1062501339.db2.gz GAGKYCPPZUZHCD-HSZRJFAPSA-N 1 0 398.599 3.970 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC001348029701 1062864112 /nfs/dbraw/zinc/86/41/12/1062864112.db2.gz SRCVUEFZTUAZLC-SGIRGMQISA-N 1 0 396.494 3.743 20 30 GHEDRO Cc1cc(NC(=O)c2csc(C#N)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001348094579 1062915852 /nfs/dbraw/zinc/91/58/52/1062915852.db2.gz NMNGYAZJUDLKCV-SFHVURJKSA-N 1 0 391.500 3.824 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001437217637 1063785142 /nfs/dbraw/zinc/78/51/42/1063785142.db2.gz TYODUKRIBBOQRM-FCHUYYIVSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC001438321218 1064032330 /nfs/dbraw/zinc/03/23/30/1064032330.db2.gz FZSUKFBIPDJWTM-PXNSSMCTSA-N 1 0 391.490 3.613 20 30 GHEDRO Cc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C#N)c1 ZINC001459241003 1064032589 /nfs/dbraw/zinc/03/25/89/1064032589.db2.gz VQDLZNBTYGDZQX-UHFFFAOYSA-N 1 0 379.529 3.871 20 30 GHEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001459477767 1064108986 /nfs/dbraw/zinc/10/89/86/1064108986.db2.gz DVEIXEVZNIEPQC-HNNXBMFYSA-N 1 0 375.469 3.999 20 30 GHEDRO C#CC[C@@H]([NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001459849930 1064242724 /nfs/dbraw/zinc/24/27/24/1064242724.db2.gz LXWAHGNBPURART-ISKFKSNPSA-N 1 0 392.499 3.504 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1)cc2=O ZINC001459851339 1064242914 /nfs/dbraw/zinc/24/29/14/1064242914.db2.gz RGVCYDOKJVNNIZ-IBGZPJMESA-N 1 0 381.867 3.981 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC001463561115 1064461190 /nfs/dbraw/zinc/46/11/90/1064461190.db2.gz CIFFVSNNAWANRL-QHCPKHFHSA-N 1 0 394.515 3.756 20 30 GHEDRO C=CCn1c([C@@H](O)CCCCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001351484951 1064473191 /nfs/dbraw/zinc/47/31/91/1064473191.db2.gz QEKNLCUCGWKBNM-SFHVURJKSA-N 1 0 375.561 3.533 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001463911254 1064713805 /nfs/dbraw/zinc/71/38/05/1064713805.db2.gz RSVJNSVRWOANSM-SANMLTNESA-N 1 0 396.490 3.662 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001351993045 1064750797 /nfs/dbraw/zinc/75/07/97/1064750797.db2.gz PKEMQLFFURVRTQ-MSOLQXFVSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001352149612 1064885176 /nfs/dbraw/zinc/88/51/76/1064885176.db2.gz CGOCZEJQCIUFKI-RXVVDRJESA-N 1 0 395.551 3.977 20 30 GHEDRO C=CC1(CC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CCCCC1 ZINC001352239144 1064945554 /nfs/dbraw/zinc/94/55/54/1064945554.db2.gz TWAAWAVCYKAQGW-IBGZPJMESA-N 1 0 383.536 3.849 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001200037194 1065046361 /nfs/dbraw/zinc/04/63/61/1065046361.db2.gz SUKYBHAYUUYWTL-UHFFFAOYSA-N 1 0 378.900 3.841 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)Cc2csc(SCC[NH+](C)C)n2)c1 ZINC001464785825 1065209874 /nfs/dbraw/zinc/20/98/74/1065209874.db2.gz FBUGCKZJKYKJTB-UHFFFAOYSA-N 1 0 391.562 3.933 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C(C)C ZINC001464867650 1065251628 /nfs/dbraw/zinc/25/16/28/1065251628.db2.gz CHFLJGCCVODLNE-QZTJIDSGSA-N 1 0 384.442 3.554 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C(=O)OC)ccc1Cl)C(C)C ZINC001464872113 1065253113 /nfs/dbraw/zinc/25/31/13/1065253113.db2.gz RGGKSIZINQKRNP-GOSISDBHSA-N 1 0 378.900 3.555 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2ccccc2Br)CC1 ZINC001464908250 1065267510 /nfs/dbraw/zinc/26/75/10/1065267510.db2.gz PRCUWQLDLJGIJF-UHFFFAOYSA-N 1 0 383.355 3.698 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC001352869597 1065395893 /nfs/dbraw/zinc/39/58/93/1065395893.db2.gz ZFDIQHFBULPBCM-KRWDZBQOSA-N 1 0 383.923 3.981 20 30 GHEDRO CC[C@H](Oc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001352871772 1065397127 /nfs/dbraw/zinc/39/71/27/1065397127.db2.gz CYFGDZJHMGWDRF-FQEVSTJZSA-N 1 0 399.922 3.959 20 30 GHEDRO C#Cc1ccc(C(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001300163589 1065521761 /nfs/dbraw/zinc/52/17/61/1065521761.db2.gz VZYVQRWTEJPIRT-KDURUIRLSA-N 1 0 376.500 3.549 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCC[C@H]1C ZINC001300284410 1065923639 /nfs/dbraw/zinc/92/36/39/1065923639.db2.gz RPCJMKXVRJEUHB-IAGOWNOFSA-N 1 0 377.492 3.634 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300294884 1065944416 /nfs/dbraw/zinc/94/44/16/1065944416.db2.gz ALUZMVFADJEWOK-ZCNNSNEGSA-N 1 0 394.567 3.556 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001300302665 1065956754 /nfs/dbraw/zinc/95/67/54/1065956754.db2.gz DJRZBEMGQPVVRF-ZCNNSNEGSA-N 1 0 387.572 3.632 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CC2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300302806 1065957125 /nfs/dbraw/zinc/95/71/25/1065957125.db2.gz DUDUOKGOLXATOY-QKNQBKEWSA-N 1 0 391.563 3.914 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300313222 1065972032 /nfs/dbraw/zinc/97/20/32/1065972032.db2.gz DINVDTIRHOBEIA-RTBURBONSA-N 1 0 397.542 3.588 20 30 GHEDRO COc1ccc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000847745702 1066020592 /nfs/dbraw/zinc/02/05/92/1066020592.db2.gz MUKJKVFZNPKRDJ-UHFFFAOYSA-N 1 0 378.472 3.587 20 30 GHEDRO Cn1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000847748028 1066032556 /nfs/dbraw/zinc/03/25/56/1066032556.db2.gz WHYKPPVNSQEILK-UHFFFAOYSA-N 1 0 394.519 3.680 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC001466515467 1066177276 /nfs/dbraw/zinc/17/72/76/1066177276.db2.gz BYZWSQSXRKXVQX-MRXNPFEDSA-N 1 0 396.539 3.893 20 30 GHEDRO C#CCCCn1c(-c2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001300399386 1066219744 /nfs/dbraw/zinc/21/97/44/1066219744.db2.gz KFQRDVZZVVKLQH-UHFFFAOYSA-N 1 0 377.536 3.813 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001466733977 1066283632 /nfs/dbraw/zinc/28/36/32/1066283632.db2.gz GWCKWKOEVKEQAB-GOSISDBHSA-N 1 0 386.471 3.827 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467192389 1067139404 /nfs/dbraw/zinc/13/94/04/1067139404.db2.gz GXMVKDOYJUFTGQ-KRXQYRFLSA-N 1 0 396.457 3.827 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)c2cccs2)CC1 ZINC001467312118 1067218868 /nfs/dbraw/zinc/21/88/68/1067218868.db2.gz AQXNFSXCUUFTNC-ZFWWWQNUSA-N 1 0 388.459 3.665 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)cc2n1 ZINC001467353963 1067246239 /nfs/dbraw/zinc/24/62/39/1067246239.db2.gz VEVHRNYUPWQMKE-HXUWFJFHSA-N 1 0 381.455 3.786 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)NCc3ccc(CC[NH+](C)C)cc3)cc21 ZINC001467381593 1067266134 /nfs/dbraw/zinc/26/61/34/1067266134.db2.gz PZCJASOQACJASA-UHFFFAOYSA-N 1 0 377.492 3.648 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C#N ZINC001467577021 1067367879 /nfs/dbraw/zinc/36/78/79/1067367879.db2.gz HDTIZCHLFXUHFN-GOSISDBHSA-N 1 0 398.532 3.900 20 30 GHEDRO CC(C)Cn1c(C2CCN(CCC#N)CC2)nnc1N1Cc2ccccc2C1 ZINC001358096300 1067396447 /nfs/dbraw/zinc/39/64/47/1067396447.db2.gz FLNQRTMYCMGZJW-UHFFFAOYSA-N 1 0 378.524 3.547 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1nc2c(s1)CCCC2)C(C)C ZINC001467660117 1067404022 /nfs/dbraw/zinc/40/40/22/1067404022.db2.gz HYVUVRIJRWQAAS-QGZVFWFLSA-N 1 0 376.570 3.520 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC001467674190 1067410841 /nfs/dbraw/zinc/41/08/41/1067410841.db2.gz FWHGHDSGNMWIHF-QFIPXVFZSA-N 1 0 382.552 3.958 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)NCC#Cc2ccccc2)[NH+](CC)CC)cc1 ZINC001467909438 1067523822 /nfs/dbraw/zinc/52/38/22/1067523822.db2.gz AFSNIHPKSVKWSQ-QHCPKHFHSA-N 1 0 377.532 3.983 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](CC1CCC(C#N)CC1)CCO2 ZINC000933830007 1067555400 /nfs/dbraw/zinc/55/54/00/1067555400.db2.gz PQNZTDSTNYSGJV-UHFFFAOYSA-N 1 0 391.556 3.855 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)cc1 ZINC001473430586 1067558519 /nfs/dbraw/zinc/55/85/19/1067558519.db2.gz IVYPLHOHPCTXMB-FQEVSTJZSA-N 1 0 399.535 3.670 20 30 GHEDRO C#C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001468007117 1067562405 /nfs/dbraw/zinc/56/24/05/1067562405.db2.gz OPYVAMIUFIZYKJ-QGZVFWFLSA-N 1 0 392.341 3.687 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001473548301 1067566263 /nfs/dbraw/zinc/56/62/63/1067566263.db2.gz VYXIPICJIOYDNI-ZRDDSIGQSA-N 1 0 396.579 3.512 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)(C)C)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001358871042 1067588889 /nfs/dbraw/zinc/58/88/89/1067588889.db2.gz ZAFKSQCDXAJKBQ-RXVVDRJESA-N 1 0 393.579 3.870 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001358881509 1067593561 /nfs/dbraw/zinc/59/35/61/1067593561.db2.gz HTMFVMQXWKHVJF-UXHICEINSA-N 1 0 379.552 3.771 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001358898435 1067604057 /nfs/dbraw/zinc/60/40/57/1067604057.db2.gz SDRVONWSCTUJMS-WOJBJXKFSA-N 1 0 397.567 3.600 20 30 GHEDRO C#CCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001358929607 1067617528 /nfs/dbraw/zinc/61/75/28/1067617528.db2.gz DPSYZCWOMWRQTB-UYAOXDASSA-N 1 0 383.584 3.733 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CC1([NH+](C)C)CCCC1 ZINC001358941900 1067622702 /nfs/dbraw/zinc/62/27/02/1067622702.db2.gz BHBLQDULXWZIPV-UHFFFAOYSA-N 1 0 377.492 3.635 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCC[NH+]1CCC(C)CC1 ZINC001358942477 1067623409 /nfs/dbraw/zinc/62/34/09/1067623409.db2.gz WQCWUMQOKFEVMV-UHFFFAOYSA-N 1 0 391.519 3.883 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)C)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358985362 1067635922 /nfs/dbraw/zinc/63/59/22/1067635922.db2.gz WZCQHRBNSJCWIA-IBGZPJMESA-N 1 0 395.576 3.763 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001358993809 1067639705 /nfs/dbraw/zinc/63/97/05/1067639705.db2.gz XNUCPKZZLPRASN-OAQYLSRUSA-N 1 0 395.595 3.911 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359011678 1067652141 /nfs/dbraw/zinc/65/21/41/1067652141.db2.gz HPDJVYHEGVAJKD-GOSISDBHSA-N 1 0 385.581 3.510 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)[NH+](C)C ZINC001359107351 1067687605 /nfs/dbraw/zinc/68/76/05/1067687605.db2.gz KBHFGSNTTIZVOL-IAGOWNOFSA-N 1 0 389.519 3.910 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001359115021 1067693477 /nfs/dbraw/zinc/69/34/77/1067693477.db2.gz IISPLAFOFLRVEY-FQEVSTJZSA-N 1 0 382.556 3.541 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359123731 1067697508 /nfs/dbraw/zinc/69/75/08/1067697508.db2.gz JUMORZSMBKLSRL-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001359160702 1067717104 /nfs/dbraw/zinc/71/71/04/1067717104.db2.gz AMFKTJVSCUJXFV-GOSISDBHSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001359161107 1067717166 /nfs/dbraw/zinc/71/71/66/1067717166.db2.gz PSSAZWUVUOABIJ-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359162921 1067718218 /nfs/dbraw/zinc/71/82/18/1067718218.db2.gz KLXLVZUPOWFKIZ-IBGZPJMESA-N 1 0 380.540 3.617 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359169526 1067723395 /nfs/dbraw/zinc/72/33/95/1067723395.db2.gz LIJWVEXLQMJNRG-VQTJNVASSA-N 1 0 381.524 3.589 20 30 GHEDRO Oc1ccc(Br)cc1/C=N/CC1CC[NH+](Cc2ccncc2)CC1 ZINC000849171211 1067752328 /nfs/dbraw/zinc/75/23/28/1067752328.db2.gz ZWDLIOUWOIJXJH-LPYMAVHISA-N 1 0 388.309 3.881 20 30 GHEDRO CCc1cc[n+](C(C(=O)C2=C(C)C(C(C)=O)C(C)=N2)C(=S)NCC2CC2)cc1 ZINC000849175120 1067753466 /nfs/dbraw/zinc/75/34/66/1067753466.db2.gz PJZYYGPZMOEVDD-UHFFFAOYSA-O 1 0 398.552 3.742 20 30 GHEDRO C=CCN(C)c1nnc(CC(C)C)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001359241262 1067850879 /nfs/dbraw/zinc/85/08/79/1067850879.db2.gz KSEMZTBDXFETMX-FQEVSTJZSA-N 1 0 397.567 3.945 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)[NH+](CC)CC)C1CC1 ZINC001359248483 1067889373 /nfs/dbraw/zinc/88/93/73/1067889373.db2.gz QDXSPRBBSVBPAX-OAHLLOKOSA-N 1 0 388.947 3.879 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001359248976 1067895173 /nfs/dbraw/zinc/89/51/73/1067895173.db2.gz JQAWFQKAPIYZCR-LJQANCHMSA-N 1 0 396.583 3.951 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(CC)nnc1N1CCSC(C)(C)C1)C(C)C ZINC001359265934 1067929020 /nfs/dbraw/zinc/92/90/20/1067929020.db2.gz PEJQQAJLEHKJSE-GOSISDBHSA-N 1 0 391.629 3.871 20 30 GHEDRO C=CCN(CC=C)c1nnc(C(C)C)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001359267151 1067929706 /nfs/dbraw/zinc/92/97/06/1067929706.db2.gz WPOJNPHSDUVMIR-UHFFFAOYSA-N 1 0 380.540 3.932 20 30 GHEDRO C=CCSCCn1c(C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359337505 1068036035 /nfs/dbraw/zinc/03/60/35/1068036035.db2.gz UJQGVQZJKANWPI-HKUYNNGSSA-N 1 0 377.602 3.597 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359778687 1068181209 /nfs/dbraw/zinc/18/12/09/1068181209.db2.gz PVPWPNHPLMAKAN-ICSRJNTNSA-N 1 0 386.588 3.870 20 30 GHEDRO CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)C1 ZINC001359882190 1068236526 /nfs/dbraw/zinc/23/65/26/1068236526.db2.gz ZBRGYMKLPVLZBY-FQEVSTJZSA-N 1 0 392.551 3.785 20 30 GHEDRO CC(C)c1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(O)c1 ZINC001469674929 1068300014 /nfs/dbraw/zinc/30/00/14/1068300014.db2.gz OKJKOKKJYLMHTB-UHFFFAOYSA-N 1 0 377.488 3.782 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001360128937 1068376446 /nfs/dbraw/zinc/37/64/46/1068376446.db2.gz PLEZMJNXDQHUAL-OAQYLSRUSA-N 1 0 384.503 3.506 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001360480777 1068526401 /nfs/dbraw/zinc/52/64/01/1068526401.db2.gz GUDZIXMOQOAUDM-XLIONFOSSA-N 1 0 384.572 3.766 20 30 GHEDRO CC1(C#N)CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001360791517 1068632647 /nfs/dbraw/zinc/63/26/47/1068632647.db2.gz ZMCVMOIGOSJWBM-UHFFFAOYSA-N 1 0 384.572 3.942 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCCC[C@H]3CCO)sc2C1 ZINC001460096080 1068780066 /nfs/dbraw/zinc/78/00/66/1068780066.db2.gz VRKALNYGANXBDG-HOTGVXAUSA-N 1 0 389.565 3.700 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001460268002 1068896506 /nfs/dbraw/zinc/89/65/06/1068896506.db2.gz XNWZQTBRMQPYKQ-OALUTQOASA-N 1 0 379.508 3.829 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)c1 ZINC001460289899 1068909170 /nfs/dbraw/zinc/90/91/70/1068909170.db2.gz NKGRKCBKPMXCJJ-LJQANCHMSA-N 1 0 394.393 3.939 20 30 GHEDRO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC001460718229 1069118157 /nfs/dbraw/zinc/11/81/57/1069118157.db2.gz JWUNIDLHFVCPSE-QZTJIDSGSA-N 1 0 386.442 3.844 20 30 GHEDRO C#CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460758586 1069161004 /nfs/dbraw/zinc/16/10/04/1069161004.db2.gz BCPOQECNFUXILL-FCHUYYIVSA-N 1 0 378.491 3.959 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001478492883 1078890866 /nfs/dbraw/zinc/89/08/66/1078890866.db2.gz IMEOFDVYRFHJIB-HSZRJFAPSA-N 1 0 393.506 3.881 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001470423871 1072545511 /nfs/dbraw/zinc/54/55/11/1072545511.db2.gz ADMWLSGULPSXBD-QHCPKHFHSA-N 1 0 390.531 3.702 20 30 GHEDRO C[C@@H](NC(=O)NCC#CC[NH+](C)C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001470725706 1072708296 /nfs/dbraw/zinc/70/82/96/1072708296.db2.gz BZMMDJMHMXLCMI-MOPGFXCFSA-N 1 0 379.504 3.752 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC001478867980 1079007900 /nfs/dbraw/zinc/00/79/00/1079007900.db2.gz UACKGDJNFISCHP-JOCHJYFZSA-N 1 0 382.552 3.990 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC001478901932 1079021539 /nfs/dbraw/zinc/02/15/39/1079021539.db2.gz XHQBDEDDCBBRGD-RBUKOAKNSA-N 1 0 391.849 3.895 20 30 GHEDRO C=CCc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc(OC)c1OC ZINC001472327716 1073425833 /nfs/dbraw/zinc/42/58/33/1073425833.db2.gz ISRLTCKAIMLTFU-VQTJNVASSA-N 1 0 386.536 3.767 20 30 GHEDRO Cc1ccc([C@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)[NH+](C)C)cc1 ZINC001472674469 1073609615 /nfs/dbraw/zinc/60/96/15/1073609615.db2.gz WDCGOAVMEUZHLW-KRWDZBQOSA-N 1 0 384.405 3.969 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H]3Cc3ccc(F)cc3)C2=O)cc1 ZINC001473117691 1073788691 /nfs/dbraw/zinc/78/86/91/1073788691.db2.gz YHOPDBBLIPAYEO-FCHUYYIVSA-N 1 0 377.463 3.900 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1C#N ZINC001479276120 1079171017 /nfs/dbraw/zinc/17/10/17/1079171017.db2.gz NEWCZRIPLWDYHV-VXKWHMMOSA-N 1 0 385.471 3.791 20 30 GHEDRO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)CC2(C#N)CCC2)c1 ZINC001473224784 1073872735 /nfs/dbraw/zinc/87/27/35/1073872735.db2.gz XRSXLQWQMVZVEI-JTHBVZDNSA-N 1 0 394.515 3.676 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001473351358 1073931881 /nfs/dbraw/zinc/93/18/81/1073931881.db2.gz ZOHJWUZFIXMGAA-UHFFFAOYSA-N 1 0 386.569 3.635 20 30 GHEDRO N#CC1(CCCC[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCC1 ZINC001473364162 1073936679 /nfs/dbraw/zinc/93/66/79/1073936679.db2.gz KYYGWPQCFXMIRR-UHFFFAOYSA-N 1 0 396.495 3.847 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]2(CO)CC(C)C)ccc1Cl ZINC001473441033 1073963938 /nfs/dbraw/zinc/96/39/38/1073963938.db2.gz IJTMKZHCJJSMAM-OAQYLSRUSA-N 1 0 391.943 3.768 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001473451431 1073969645 /nfs/dbraw/zinc/96/96/45/1073969645.db2.gz KKJCLQDTFVODBB-UWVAXJGDSA-N 1 0 387.524 3.951 20 30 GHEDRO CCOC1CC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC001473513627 1073996472 /nfs/dbraw/zinc/99/64/72/1073996472.db2.gz CDHCMWFVTDXOAR-WLYUNCDWSA-N 1 0 375.538 3.572 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H](N(CC[NH+]3CCCCCC3)C3CCC3)C2=O)cc1 ZINC001473518277 1073998365 /nfs/dbraw/zinc/99/83/65/1073998365.db2.gz BZGBUHAQCVMLTH-HSZRJFAPSA-N 1 0 394.563 3.784 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1 ZINC001473599339 1074040970 /nfs/dbraw/zinc/04/09/70/1074040970.db2.gz KPHJSLNKRCTOPM-TZIWHRDSSA-N 1 0 384.568 3.601 20 30 GHEDRO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001473620647 1074051724 /nfs/dbraw/zinc/05/17/24/1074051724.db2.gz OGPKXAITQBCFGG-HSZRJFAPSA-N 1 0 385.467 3.976 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC001473714982 1074103725 /nfs/dbraw/zinc/10/37/25/1074103725.db2.gz DDVDNLBBTNBWDX-DPMMWBKBSA-N 1 0 387.842 3.798 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1O ZINC001473985436 1074226446 /nfs/dbraw/zinc/22/64/46/1074226446.db2.gz QVAVAHOVMUHYLF-UHFFFAOYSA-N 1 0 376.497 3.618 20 30 GHEDRO C=CCOc1ccc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)cc1OC ZINC001474012423 1074235373 /nfs/dbraw/zinc/23/53/73/1074235373.db2.gz MAAVKUQRJZYPFN-UHFFFAOYSA-N 1 0 382.504 3.829 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](Cc1ccccc1)OC ZINC001474153424 1074278797 /nfs/dbraw/zinc/27/87/97/1074278797.db2.gz IXEXTAFNGQCPCD-IBGZPJMESA-N 1 0 388.305 3.808 20 30 GHEDRO COc1cc(C[NH2+]CCc2ccc(I)cc2)ccc1C#N ZINC001474221019 1074298479 /nfs/dbraw/zinc/29/84/79/1074298479.db2.gz XVDSJGZWBVQTJI-UHFFFAOYSA-N 1 0 392.240 3.504 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)cc1OC ZINC001474520901 1074447119 /nfs/dbraw/zinc/44/71/19/1074447119.db2.gz LSFHQYSBLJSQRM-QGZVFWFLSA-N 1 0 398.894 3.953 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493506519 1079275438 /nfs/dbraw/zinc/27/54/38/1079275438.db2.gz FGFHFDBSSKYQBA-KGVIQGDOSA-N 1 0 397.571 3.532 20 30 GHEDRO C#C[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)C1CCOCC1 ZINC001474636086 1074493191 /nfs/dbraw/zinc/49/31/91/1074493191.db2.gz HEFRTHKQUBHVJW-IHPCNDPISA-N 1 0 378.557 3.963 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]2CCCC[C@H]21)[NH+](C)C ZINC001494235800 1079325772 /nfs/dbraw/zinc/32/57/72/1079325772.db2.gz KCGQOQNSIHKMOI-SQBLYHGDSA-N 1 0 392.551 3.782 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]2CCCC[C@H]21)[NH+](C)C ZINC001494235797 1079325978 /nfs/dbraw/zinc/32/59/78/1079325978.db2.gz KCGQOQNSIHKMOI-HRQSHJORSA-N 1 0 392.551 3.782 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001476223995 1075106247 /nfs/dbraw/zinc/10/62/47/1075106247.db2.gz NQOMKXLVAFARBJ-OAQYLSRUSA-N 1 0 395.478 3.870 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001496339248 1079465058 /nfs/dbraw/zinc/46/50/58/1079465058.db2.gz FLYAERKPMUZNST-IOMROCGXSA-N 1 0 394.567 3.756 20 30 GHEDRO CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001500833779 1079617183 /nfs/dbraw/zinc/61/71/83/1079617183.db2.gz BYWNXQHOPJBDPE-LJQANCHMSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736789819 600593064 /nfs/dbraw/zinc/59/30/64/600593064.db2.gz RHJAMHULFHBFGP-VGOFRKELSA-N 1 0 377.488 3.848 20 30 GHEDRO N#Cc1cccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C(=O)[O-])c1 ZINC000833074866 601303483 /nfs/dbraw/zinc/30/34/83/601303483.db2.gz FRJNKYVUGQSEBK-QFIPXVFZSA-N 1 0 377.488 3.850 20 30 GHEDRO CCC(CC)CN(CCC#N)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825106536 608313150 /nfs/dbraw/zinc/31/31/50/608313150.db2.gz FUOUDVXVTHATCX-UHFFFAOYSA-N 1 0 392.511 3.513 20 30 GHEDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(OCCCC#N)c1 ZINC000824293607 608532409 /nfs/dbraw/zinc/53/24/09/608532409.db2.gz UBDNCYYIVLZYJJ-UHFFFAOYSA-N 1 0 390.491 3.960 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001164387153 718814765 /nfs/dbraw/zinc/81/47/65/718814765.db2.gz DLDVHCOAZFVDBQ-CYBMUJFWSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164623776 719046614 /nfs/dbraw/zinc/04/66/14/719046614.db2.gz MZUWOUHIAVTSAE-IEBWSBKVSA-N 1 0 388.849 3.735 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731595 720475260 /nfs/dbraw/zinc/47/52/60/720475260.db2.gz WSBMMOLHWFCHHR-LEWJYISDSA-N 1 0 376.580 3.559 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C3(C#N)CCC3)cn1)[C@H]2C ZINC001164858473 720960668 /nfs/dbraw/zinc/96/06/68/720960668.db2.gz IWZBKRBCKGSUCY-KRWDZBQOSA-N 1 0 378.524 3.645 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C#N)c(Cl)cc1Cl)[C@@H]2C ZINC001164862525 721014847 /nfs/dbraw/zinc/01/48/47/721014847.db2.gz QPWQZZSSPWAUTE-GFCCVEGCSA-N 1 0 393.322 3.878 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(Cl)c1C#N)[C@@H]2C ZINC001164861260 721016689 /nfs/dbraw/zinc/01/66/89/721016689.db2.gz NWWJYRZGDSDQET-GFCCVEGCSA-N 1 0 393.322 3.878 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001164775101 721302244 /nfs/dbraw/zinc/30/22/44/721302244.db2.gz PKSTVUNLMXEQSU-UHFFFAOYSA-N 1 0 395.894 3.716 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164793928 721491202 /nfs/dbraw/zinc/49/12/02/721491202.db2.gz XYFRQHZHVFHMIC-UHFFFAOYSA-N 1 0 381.911 3.883 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c1-2 ZINC001164995386 722206624 /nfs/dbraw/zinc/20/66/24/722206624.db2.gz NAQBRJKDDCVQHR-QFIPXVFZSA-N 1 0 375.451 3.819 20 30 GHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000535965664 837428087 /nfs/dbraw/zinc/42/80/87/837428087.db2.gz CNMBAIROPFRWSX-IBGZPJMESA-N 1 0 387.487 3.710 20 30 GHEDRO CN(CCC#N)C[C@@H](O)CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000414104453 837555457 /nfs/dbraw/zinc/55/54/57/837555457.db2.gz YWQMNTQJDRBYKQ-QGZVFWFLSA-N 1 0 378.501 3.595 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000176717726 837722649 /nfs/dbraw/zinc/72/26/49/837722649.db2.gz WNTWKNZSLWUSAZ-JPYJTQIMSA-N 1 0 391.515 3.794 20 30 GHEDRO CC(C)Oc1cc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000536048078 834486050 /nfs/dbraw/zinc/48/60/50/834486050.db2.gz QQKRRHBPMZYZFY-UHFFFAOYSA-N 1 0 378.476 3.734 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549089775 837781211 /nfs/dbraw/zinc/78/12/11/837781211.db2.gz HBNWLUIMHCFMDJ-FQEVSTJZSA-N 1 0 392.551 3.929 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1OC(F)(F)F ZINC000583544091 834610794 /nfs/dbraw/zinc/61/07/94/834610794.db2.gz NDRHMSHVGMBQRL-INIZCTEOSA-N 1 0 396.413 3.939 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)NCCSCc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000179095314 834621985 /nfs/dbraw/zinc/62/19/85/834621985.db2.gz GXNFGILSBSCILE-RTWAWAEBSA-N 1 0 394.544 3.536 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000120141091 834637530 /nfs/dbraw/zinc/63/75/30/834637530.db2.gz XCXMPHRFVSEVFC-KRWDZBQOSA-N 1 0 386.515 3.883 20 30 GHEDRO N#CCCC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000583631624 834787194 /nfs/dbraw/zinc/78/71/94/834787194.db2.gz QKAXVKJRIBRLAP-UHFFFAOYSA-N 1 0 392.341 3.801 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c2ccccc21 ZINC000157292414 834790547 /nfs/dbraw/zinc/79/05/47/834790547.db2.gz ZQGJLGHSNDPLBB-IBGZPJMESA-N 1 0 378.520 3.688 20 30 GHEDRO O=C(NC1CCC(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1)C1CCCC1 ZINC000329308877 834818056 /nfs/dbraw/zinc/81/80/56/834818056.db2.gz PDQSFDKBHMGKHZ-SOAGJPPSSA-N 1 0 375.557 3.779 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Oc1ccccc1Br ZINC000176990984 837831896 /nfs/dbraw/zinc/83/18/96/837831896.db2.gz WHKCXLDNAHYIRO-ZDUSSCGKSA-N 1 0 385.265 3.526 20 30 GHEDRO CCCCN1CCCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433322429 844014245 /nfs/dbraw/zinc/01/42/45/844014245.db2.gz QPMBHUZPDOFRAJ-OAQYLSRUSA-N 1 0 380.540 3.603 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000611934823 835073641 /nfs/dbraw/zinc/07/36/41/835073641.db2.gz AMRMRBCKIKIXGU-NRFANRHFSA-N 1 0 379.504 3.762 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H](C)c2ccccn2)c1C#N ZINC000611935359 835078134 /nfs/dbraw/zinc/07/81/34/835078134.db2.gz OFJIYOBZNPLIDR-MRXNPFEDSA-N 1 0 391.475 3.692 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000611938792 835083261 /nfs/dbraw/zinc/08/32/61/835083261.db2.gz YSDLDSNZRBOVPS-JOCHJYFZSA-N 1 0 376.504 3.704 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@H]2C2CCC2)c1=S ZINC000728198793 835098785 /nfs/dbraw/zinc/09/87/85/835098785.db2.gz HEGGRJKLOPBGRZ-IBGZPJMESA-N 1 0 389.613 3.850 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccc(CC#N)cc2)cc1 ZINC000583870491 835168344 /nfs/dbraw/zinc/16/83/44/835168344.db2.gz VPCDCRMLUPBCJK-UHFFFAOYSA-N 1 0 380.492 3.795 20 30 GHEDRO CC[NH+]=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CC[C@@]2(CCOC2)C1 ZINC000157978630 835170517 /nfs/dbraw/zinc/17/05/17/835170517.db2.gz NWLXECIALFRIAZ-JOCHJYFZSA-N 1 0 398.482 3.591 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3nc(-c4ccccc4)c[nH]3)C2)c(F)c1 ZINC000583911730 835236593 /nfs/dbraw/zinc/23/65/93/835236593.db2.gz OPMYEMCAJCZXHK-SFHVURJKSA-N 1 0 375.451 3.846 20 30 GHEDRO C=C[C@H](CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000536168724 835285814 /nfs/dbraw/zinc/28/58/14/835285814.db2.gz FSDVPWKHQNBJII-OAQYLSRUSA-N 1 0 377.532 3.675 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000158302258 835313661 /nfs/dbraw/zinc/31/36/61/835313661.db2.gz ZPQGDMSRUDQXLP-MSOLQXFVSA-N 1 0 386.565 3.580 20 30 GHEDRO CN1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136205582 835331880 /nfs/dbraw/zinc/33/18/80/835331880.db2.gz SSUFAZDOZVNBIM-IERDGZPVSA-N 1 0 397.885 3.781 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000458760535 835407452 /nfs/dbraw/zinc/40/74/52/835407452.db2.gz NQGJRPKLZZQXAY-OAQYLSRUSA-N 1 0 398.482 3.587 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2OCC2CC2)c(-c2ccncc2)n1 ZINC000278566476 835409952 /nfs/dbraw/zinc/40/99/52/835409952.db2.gz CZJYJEMYWSIKHI-UHFFFAOYSA-N 1 0 387.487 3.937 20 30 GHEDRO C=CCn1c(C)nn(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)c1=S ZINC000176988213 835433818 /nfs/dbraw/zinc/43/38/18/835433818.db2.gz BGUBACIFCCKKHF-UHFFFAOYSA-N 1 0 377.602 3.698 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179276434 835483794 /nfs/dbraw/zinc/48/37/94/835483794.db2.gz QUOAQUXPHJBFGQ-FGZHOGPDSA-N 1 0 376.504 3.925 20 30 GHEDRO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329646649 835519591 /nfs/dbraw/zinc/51/95/91/835519591.db2.gz ZXCVZGSIUIGQTC-NXEWRWPSSA-N 1 0 386.540 3.687 20 30 GHEDRO Cc1csc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000584061589 835529180 /nfs/dbraw/zinc/52/91/80/835529180.db2.gz PHGDWTFIGRPXCJ-HOTGVXAUSA-N 1 0 390.553 3.671 20 30 GHEDRO COc1cccc(CC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000612123445 835558212 /nfs/dbraw/zinc/55/82/12/835558212.db2.gz ZQJSTHKRRBCRHT-SFHVURJKSA-N 1 0 383.536 3.681 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508812161 844069723 /nfs/dbraw/zinc/06/97/23/844069723.db2.gz JYHAVXUIYCLGOE-RBBKRZOGSA-N 1 0 391.563 3.816 20 30 GHEDRO CO[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(Cl)cc1 ZINC000278643754 835687695 /nfs/dbraw/zinc/68/76/95/835687695.db2.gz LQJYSFKNEFVMOU-HXUWFJFHSA-N 1 0 395.894 3.989 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000255734448 835692998 /nfs/dbraw/zinc/69/29/98/835692998.db2.gz WXQDWKYFRLYCLS-SFHVURJKSA-N 1 0 379.504 3.829 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000151664300 835710791 /nfs/dbraw/zinc/71/07/91/835710791.db2.gz XZAVOIYILWWCLV-UHFFFAOYSA-N 1 0 395.551 3.835 20 30 GHEDRO C[C@]1(c2ccccc2)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000510132142 835735331 /nfs/dbraw/zinc/73/53/31/835735331.db2.gz JSYNURXXTBFUOZ-QFIPXVFZSA-N 1 0 382.529 3.776 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cc(Cl)cs1 ZINC000134473480 835750177 /nfs/dbraw/zinc/75/01/77/835750177.db2.gz GYVVURVBHSEAAC-UHFFFAOYSA-N 1 0 375.925 3.796 20 30 GHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000512532682 844087797 /nfs/dbraw/zinc/08/77/97/844087797.db2.gz UDTHSQMIBQOLKN-IBGZPJMESA-N 1 0 377.916 3.935 20 30 GHEDRO COc1ccccc1C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278708557 835848655 /nfs/dbraw/zinc/84/86/55/835848655.db2.gz RMEHECGIAFIUJI-UHFFFAOYSA-N 1 0 387.487 3.689 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCCOCc2ccccc2)c(-c2ccncc2)n1 ZINC000278715436 835860881 /nfs/dbraw/zinc/86/08/81/835860881.db2.gz SGUGXHWGQYQKSY-UHFFFAOYSA-N 1 0 389.503 3.945 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000573184787 835888860 /nfs/dbraw/zinc/88/88/60/835888860.db2.gz NMDJKNKDTCJQIZ-LJQANCHMSA-N 1 0 381.501 3.802 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329773610 835918498 /nfs/dbraw/zinc/91/84/98/835918498.db2.gz LQAFHTMRGCCGBR-VSUXGOSMSA-N 1 0 387.568 3.635 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000584373306 835935522 /nfs/dbraw/zinc/93/55/22/835935522.db2.gz IRKCEAVHWZEENO-UEVCKROQSA-N 1 0 390.531 3.988 20 30 GHEDRO C=CCC1(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCCC1 ZINC000658723676 835954277 /nfs/dbraw/zinc/95/42/77/835954277.db2.gz UFAQYXUCPCDGMJ-SFHVURJKSA-N 1 0 383.536 3.862 20 30 GHEDRO C=CCC1(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)CCCC1 ZINC000658723788 835955105 /nfs/dbraw/zinc/95/51/05/835955105.db2.gz PABPOYZGSHWDFL-KRWDZBQOSA-N 1 0 383.536 3.990 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C/c1ccccc1C#N ZINC000179754270 835968274 /nfs/dbraw/zinc/96/82/74/835968274.db2.gz UTBLHZFNUYTYAV-FZNBYNMYSA-N 1 0 389.499 3.790 20 30 GHEDRO C=CCCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000893750638 844120393 /nfs/dbraw/zinc/12/03/93/844120393.db2.gz RRYVVSBEOTWIDS-BDTNDASRSA-N 1 0 380.536 3.669 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(C#N)c1 ZINC000065939034 836281323 /nfs/dbraw/zinc/28/13/23/836281323.db2.gz NUAXSVRHOXLDIY-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000365251615 836294076 /nfs/dbraw/zinc/29/40/76/836294076.db2.gz UJCWFOQIFUMBCU-UHFFFAOYSA-N 1 0 376.508 3.630 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167841 836338074 /nfs/dbraw/zinc/33/80/74/836338074.db2.gz OBAQTIAIWASAAA-HXUWFJFHSA-N 1 0 380.492 3.910 20 30 GHEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccccc1C#N ZINC000290179757 836446621 /nfs/dbraw/zinc/44/66/21/836446621.db2.gz QRZINLPLELEFME-KKSFZXQISA-N 1 0 375.472 3.569 20 30 GHEDRO Cn1c(Sc2c(C#N)cnc3c(Cl)cccc32)nnc1[C@H]1CCC[NH2+]C1 ZINC000582603140 836495705 /nfs/dbraw/zinc/49/57/05/836495705.db2.gz NKRLNXHKKHKSOG-NSHDSACASA-N 1 0 384.896 3.507 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000177413007 836500586 /nfs/dbraw/zinc/50/05/86/836500586.db2.gz SHEQINBEECQTDC-PKNBQFBNSA-N 1 0 384.520 3.796 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000179997463 836567800 /nfs/dbraw/zinc/56/78/00/836567800.db2.gz BETHNEBBNXWSLP-VGOFRKELSA-N 1 0 385.471 3.590 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000043306987 836594241 /nfs/dbraw/zinc/59/42/41/836594241.db2.gz DEGDUKLMTFFPBZ-QFIPXVFZSA-N 1 0 392.503 3.545 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)c2c1 ZINC000548953944 836615690 /nfs/dbraw/zinc/61/56/90/836615690.db2.gz PCIWIXBNUFTWKY-IBGZPJMESA-N 1 0 385.943 3.752 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000175596296 836756396 /nfs/dbraw/zinc/75/63/96/836756396.db2.gz WFPVUQIJDGHRIO-JXFKEZNVSA-N 1 0 380.467 3.550 20 30 GHEDRO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000413913418 836766682 /nfs/dbraw/zinc/76/66/82/836766682.db2.gz PFVLLMYFVWNLSA-HNNXBMFYSA-N 1 0 384.446 3.610 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000066202905 836946090 /nfs/dbraw/zinc/94/60/90/836946090.db2.gz JVRMTULIKYHDOR-MRXNPFEDSA-N 1 0 393.491 3.662 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472473992 836994227 /nfs/dbraw/zinc/99/42/27/836994227.db2.gz AJOZWDREGKOFTD-OAQYLSRUSA-N 1 0 379.504 3.542 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000275437327 837044653 /nfs/dbraw/zinc/04/46/53/837044653.db2.gz IRFSAWKKHIGPKB-CYBMUJFWSA-N 1 0 383.402 3.982 20 30 GHEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000275577482 837328474 /nfs/dbraw/zinc/32/84/74/837328474.db2.gz OVDKEGGMMVKPRQ-YRMIQGFHSA-N 1 0 378.520 3.861 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)n(-c2ccc(C#N)cc2)n1 ZINC000415699567 838000426 /nfs/dbraw/zinc/00/04/26/838000426.db2.gz JKZWXUSNYDWLSK-KRWDZBQOSA-N 1 0 382.512 3.536 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000121513238 838014721 /nfs/dbraw/zinc/01/47/21/838014721.db2.gz CSHFEBPAJONKKV-QHCPKHFHSA-N 1 0 393.487 3.691 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415807329 838124259 /nfs/dbraw/zinc/12/42/59/838124259.db2.gz QQQDABSDOFVNJU-LBPRGKRZSA-N 1 0 382.302 3.605 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000415800719 838125030 /nfs/dbraw/zinc/12/50/30/838125030.db2.gz FEHJWALALXJAKY-UHFFFAOYSA-N 1 0 396.329 3.867 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000414453924 838291324 /nfs/dbraw/zinc/29/13/24/838291324.db2.gz CFLHUNHDJBZJFJ-UHFFFAOYSA-N 1 0 397.422 3.748 20 30 GHEDRO COc1ccccc1-c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1 ZINC000579067158 838325413 /nfs/dbraw/zinc/32/54/13/838325413.db2.gz SZBOINRGISWFRZ-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000416049255 838461420 /nfs/dbraw/zinc/46/14/20/838461420.db2.gz QXYYWHLIZDIENX-NXEZZACHSA-N 1 0 395.706 3.661 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414528941 838604450 /nfs/dbraw/zinc/60/44/50/838604450.db2.gz UXMPOJCVPARAEA-DYXWJJEUSA-N 1 0 395.551 3.805 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000121168017 838823031 /nfs/dbraw/zinc/82/30/31/838823031.db2.gz SGEAUSOAIBYIIT-PELRDEGISA-N 1 0 398.551 3.525 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000610400206 839062721 /nfs/dbraw/zinc/06/27/21/839062721.db2.gz WESQTMYWWCNVIE-HTAPYJJXSA-N 1 0 392.503 3.764 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)cc1F ZINC000610402629 839090163 /nfs/dbraw/zinc/09/01/63/839090163.db2.gz XWYZBFKIRHOENE-FQEVSTJZSA-N 1 0 394.494 3.751 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)cc1 ZINC000415034923 839099393 /nfs/dbraw/zinc/09/93/93/839099393.db2.gz ILPISTJPXJTJDF-NDXORKPFSA-N 1 0 376.460 3.942 20 30 GHEDRO CN(C(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1(C#N)CCCCC1 ZINC000549165485 839114869 /nfs/dbraw/zinc/11/48/69/839114869.db2.gz KDKCSDAHQZZVOW-NRFANRHFSA-N 1 0 396.579 3.562 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2c(c1)OCO2 ZINC000182259689 839120530 /nfs/dbraw/zinc/12/05/30/839120530.db2.gz MCHAJCCFHWKYLL-CYBMUJFWSA-N 1 0 397.500 3.907 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000067249259 844404294 /nfs/dbraw/zinc/40/42/94/844404294.db2.gz WOANIQFKOVFQOC-UHFFFAOYSA-N 1 0 386.499 3.536 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000415083780 839171920 /nfs/dbraw/zinc/17/19/20/839171920.db2.gz NUVYKVXTLZVSSY-KDOFPFPSSA-N 1 0 380.448 3.560 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415121865 839242987 /nfs/dbraw/zinc/24/29/87/839242987.db2.gz KZEMLXWRQRHFFD-JXFKEZNVSA-N 1 0 378.476 3.647 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccccc1[N+](=O)[O-] ZINC000052485663 844418803 /nfs/dbraw/zinc/41/88/03/844418803.db2.gz OJDCURZHEOZBGI-UHFFFAOYSA-N 1 0 387.509 3.693 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[NH+]2CCCC2)cc1 ZINC000565690136 839284166 /nfs/dbraw/zinc/28/41/66/839284166.db2.gz PQXLKLHFLKDHPL-HXUWFJFHSA-N 1 0 382.439 3.665 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1=S ZINC000173513344 839414181 /nfs/dbraw/zinc/41/41/81/839414181.db2.gz VMVGWTHQRLJMAV-LJQANCHMSA-N 1 0 397.592 3.889 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)c(C#N)cn3)cc2Cl)CC1 ZINC001125447538 839517044 /nfs/dbraw/zinc/51/70/44/839517044.db2.gz FHPZJQZNTDGTGE-UHFFFAOYSA-N 1 0 397.910 3.699 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnc4ccc(Cl)cn34)CC2)nc1 ZINC000535785312 844449736 /nfs/dbraw/zinc/44/97/36/844449736.db2.gz ZYRPWGGFMUHFLT-UHFFFAOYSA-N 1 0 381.867 3.734 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)C1 ZINC000549860514 844460239 /nfs/dbraw/zinc/46/02/39/844460239.db2.gz MSGXLDXWHSAFAE-HOCLYGCPSA-N 1 0 397.416 3.987 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000579675157 839676476 /nfs/dbraw/zinc/67/64/76/839676476.db2.gz PWHBPZQCLLYNQE-ZFKCKOODSA-N 1 0 375.900 3.554 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)c1 ZINC000122527835 839680249 /nfs/dbraw/zinc/68/02/49/839680249.db2.gz QPVDWKWRCIPJML-HXUWFJFHSA-N 1 0 383.879 3.787 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892973908 839771690 /nfs/dbraw/zinc/77/16/90/839771690.db2.gz YIKJQMTYRONQAF-AWEZNQCLSA-N 1 0 376.254 3.520 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000549279479 839773040 /nfs/dbraw/zinc/77/30/40/839773040.db2.gz KFNMLIILKPOWTI-GOSISDBHSA-N 1 0 385.943 3.773 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000126001960 839858921 /nfs/dbraw/zinc/85/89/21/839858921.db2.gz OEXYZIQQFBBUBG-WMLDXEAASA-N 1 0 394.393 3.742 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c(C#N)c1C ZINC000610451306 839924959 /nfs/dbraw/zinc/92/49/59/839924959.db2.gz OPGHCZQVSUQOHM-AEFFLSMTSA-N 1 0 394.519 3.692 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000415557130 839973606 /nfs/dbraw/zinc/97/36/06/839973606.db2.gz CXDUESQUPRBVIF-IBGZPJMESA-N 1 0 394.523 3.726 20 30 GHEDRO C[NH+]=C(NCc1csc(-c2ccccc2)n1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261656849 840128117 /nfs/dbraw/zinc/12/81/17/840128117.db2.gz AFVDNUGIPSSIQB-LPHOPBHVSA-N 1 0 394.548 3.665 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)CC1 ZINC000156650950 840176151 /nfs/dbraw/zinc/17/61/51/840176151.db2.gz MHCZXQZQZAXLCV-UHFFFAOYSA-N 1 0 386.546 3.590 20 30 GHEDRO COc1cccc([C@@H](C)[NH+]2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)c1 ZINC000561176010 840237707 /nfs/dbraw/zinc/23/77/07/840237707.db2.gz FVXSQKWGWZTZBE-OAHLLOKOSA-N 1 0 395.894 3.751 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000584577949 840261656 /nfs/dbraw/zinc/26/16/56/840261656.db2.gz CPHGUVZLNIQUGL-BRWVUGGUSA-N 1 0 394.450 3.999 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2C[NH+](C)C)c1C#N ZINC000053691603 840284694 /nfs/dbraw/zinc/28/46/94/840284694.db2.gz GOOHLSZJIZPVHW-UHFFFAOYSA-N 1 0 380.517 3.544 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000500385871 840322184 /nfs/dbraw/zinc/32/21/84/840322184.db2.gz APLRUKPPLUPPBD-JOCHJYFZSA-N 1 0 389.499 3.817 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000580887953 840381380 /nfs/dbraw/zinc/38/13/80/840381380.db2.gz BPCTYDCXTUACTQ-VABKMULXSA-N 1 0 381.516 3.724 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H](C)c1ccccc1)[n+]1ccccc1 ZINC000186963387 840551962 /nfs/dbraw/zinc/55/19/62/840551962.db2.gz ZFMSRTHKWMHZMY-CQSZACIVSA-O 1 0 380.493 3.869 20 30 GHEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1OCCc2ccccc21 ZINC000278837569 840615078 /nfs/dbraw/zinc/61/50/78/840615078.db2.gz APKBKXVGEOGUHF-JOCHJYFZSA-N 1 0 387.487 3.605 20 30 GHEDRO O=C(NCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C1N=CC=CC1=O ZINC000588401812 840844967 /nfs/dbraw/zinc/84/49/67/840844967.db2.gz IBQWUSOYPQGTJD-UOFXHNCJSA-N 1 0 399.853 3.685 20 30 GHEDRO O=C(NCCN[C@@H](c1ccc(F)cc1)c1ccccc1Cl)C1N=CC=CC1=O ZINC000588401839 840845945 /nfs/dbraw/zinc/84/59/45/840845945.db2.gz ZAXNAHGJDABRFT-GEXZYOHASA-N 1 0 399.853 3.685 20 30 GHEDRO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156932028 840918111 /nfs/dbraw/zinc/91/81/11/840918111.db2.gz UWRPZWKLWBBNDE-WMZHIEFXSA-N 1 0 390.531 3.872 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1sccc1C#N ZINC000104058672 841002773 /nfs/dbraw/zinc/00/27/73/841002773.db2.gz IXAQDQVMWSPBHS-UHFFFAOYSA-N 1 0 397.479 3.652 20 30 GHEDRO COc1ccc(C[NH2+]CCN2CCc3sccc3C2)cc1OCCCC#N ZINC000067699596 841037313 /nfs/dbraw/zinc/03/73/13/841037313.db2.gz ZFQSIASVICHRPE-UHFFFAOYSA-N 1 0 385.533 3.587 20 30 GHEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000584852597 841077902 /nfs/dbraw/zinc/07/79/02/841077902.db2.gz LPMBKAXEVUYCKD-UHFFFAOYSA-N 1 0 390.535 3.545 20 30 GHEDRO COc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCC[NH+](C)C ZINC000417657806 841108817 /nfs/dbraw/zinc/10/88/17/841108817.db2.gz WGXVRJUJSUYEQN-LJQANCHMSA-N 1 0 396.491 3.802 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511872445 841143953 /nfs/dbraw/zinc/14/39/53/841143953.db2.gz INTFEOWAYWEKNO-MSOLQXFVSA-N 1 0 392.425 3.587 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478829 841198279 /nfs/dbraw/zinc/19/82/79/841198279.db2.gz ZVTYHPYAYHFJSB-ORYQWCPZSA-N 1 0 391.506 3.667 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(C(C)(C)C)cc1 ZINC000027059476 841205050 /nfs/dbraw/zinc/20/50/50/841205050.db2.gz MMNCZUKSGYWXGV-UHFFFAOYSA-O 1 0 383.537 3.995 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3c(C#N)cnc4ccccc43)CC2)C[C@H](C)O1 ZINC000301570430 841209375 /nfs/dbraw/zinc/20/93/75/841209375.db2.gz QYTBKWPYKFEMSZ-HDICACEKSA-N 1 0 378.520 3.822 20 30 GHEDRO C=CC[S@](=O)(=NC(=O)C1CCN(c2ccc(C)cn2)CC1)c1ccccc1 ZINC000891376414 841233663 /nfs/dbraw/zinc/23/36/63/841233663.db2.gz HGHNIQYKUVEWSW-HHHXNRCGSA-N 1 0 383.517 3.846 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc(C)cc2)cc1 ZINC000027073135 841237151 /nfs/dbraw/zinc/23/71/51/841237151.db2.gz QLGNPNDKJSBMGJ-LJQANCHMSA-O 1 0 383.537 3.552 20 30 GHEDRO C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)C1=O ZINC000500014383 841259824 /nfs/dbraw/zinc/25/98/24/841259824.db2.gz ACHNZJHRZOFAHP-HXUWFJFHSA-N 1 0 393.487 3.526 20 30 GHEDRO O=C(c1ccc2c(c1)CCO2)C(C(=S)Nc1ccccc1)[n+]1ccccc1 ZINC000027181464 841347074 /nfs/dbraw/zinc/34/70/74/841347074.db2.gz RWHGAGWNZSSOGA-UHFFFAOYSA-O 1 0 375.473 3.960 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)Nc1ccccc1)[n+]1cccc(CO)c1 ZINC000027183642 841349622 /nfs/dbraw/zinc/34/96/22/841349622.db2.gz XSCBTYXPUXBZMM-UHFFFAOYSA-O 1 0 393.488 3.526 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(CCC)cc1 ZINC000027310028 841370445 /nfs/dbraw/zinc/37/04/45/841370445.db2.gz GLYRVNZMTFDOES-UHFFFAOYSA-O 1 0 395.548 3.966 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccccc3)C3(CO)CCCC3)o2)c1 ZINC000599434144 861204984 /nfs/dbraw/zinc/20/49/84/861204984.db2.gz SCOHFESLJOCUKE-UHFFFAOYSA-N 1 0 388.471 3.916 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1=S ZINC000160911321 841494362 /nfs/dbraw/zinc/49/43/62/841494362.db2.gz LKDLYCQTZPDQHB-LJQANCHMSA-N 1 0 385.581 3.805 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)cc2)C1 ZINC000329270554 861229722 /nfs/dbraw/zinc/22/97/22/861229722.db2.gz IVMLTHCTVPICKB-DEPWHIHDSA-N 1 0 398.551 3.629 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(C)cc1 ZINC000027479158 841718113 /nfs/dbraw/zinc/71/81/13/841718113.db2.gz SRQDXZZIRKHXCJ-UHFFFAOYSA-O 1 0 376.571 3.509 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000109381788 841730283 /nfs/dbraw/zinc/73/02/83/841730283.db2.gz LXHCAQAWUVWBCW-ROUUACIJSA-N 1 0 398.551 3.841 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cn2)cc1 ZINC000603828926 861242580 /nfs/dbraw/zinc/24/25/80/861242580.db2.gz DZXCFJNQZVJFOU-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125477620 841835385 /nfs/dbraw/zinc/83/53/85/841835385.db2.gz DMSNMILABWJHSY-UHFFFAOYSA-N 1 0 396.539 3.613 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000046896964 841906919 /nfs/dbraw/zinc/90/69/19/841906919.db2.gz SIFSWNDNEVBKOM-UHFFFAOYSA-N 1 0 379.529 3.572 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000328807997 842030988 /nfs/dbraw/zinc/03/09/88/842030988.db2.gz IMOPWOGLPMEYOU-KRWDZBQOSA-N 1 0 387.524 3.601 20 30 GHEDRO CC(C)(C#N)CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000278925143 842067736 /nfs/dbraw/zinc/06/77/36/842067736.db2.gz DLZMJAORUPFRBF-KRWDZBQOSA-N 1 0 381.442 3.839 20 30 GHEDRO CN(c1ccccc1)c1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ncn1 ZINC000432333108 842070378 /nfs/dbraw/zinc/07/03/78/842070378.db2.gz AHYHQIMVVRXCEB-UHFFFAOYSA-N 1 0 398.514 3.828 20 30 GHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000481394391 861269579 /nfs/dbraw/zinc/26/95/79/861269579.db2.gz VLLXDANGNJTCEI-DNVCBOLYSA-N 1 0 377.916 3.690 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](C)C1 ZINC000247365213 842153202 /nfs/dbraw/zinc/15/32/02/842153202.db2.gz KJNQMWVPYALLBT-LPHOPBHVSA-N 1 0 381.476 3.533 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCC2CC(O)C2)cc1OCC ZINC000432364988 842198593 /nfs/dbraw/zinc/19/85/93/842198593.db2.gz OVUZDRIFSVBOGX-UHFFFAOYSA-N 1 0 384.314 3.663 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000759952780 842216340 /nfs/dbraw/zinc/21/63/40/842216340.db2.gz FMBGBWWUSGQUKI-FQEVSTJZSA-N 1 0 378.476 3.717 20 30 GHEDRO CN(C)C(=O)C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000581830915 842253137 /nfs/dbraw/zinc/25/31/37/842253137.db2.gz OWQIXPNBEDZJFW-IBGZPJMESA-N 1 0 390.405 3.746 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661874760 842264096 /nfs/dbraw/zinc/26/40/96/842264096.db2.gz KFXHJAUHBYHOMK-NSHGMRRFSA-N 1 0 376.566 3.932 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000585755728 842265444 /nfs/dbraw/zinc/26/54/44/842265444.db2.gz DLVLCIJTVHIWNX-FQEVSTJZSA-N 1 0 383.536 3.831 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccsc3)cn2)CC1 ZINC000328825477 842289693 /nfs/dbraw/zinc/28/96/93/842289693.db2.gz PZALFOVYOVBEEZ-IBGZPJMESA-N 1 0 399.564 3.536 20 30 GHEDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000891569575 842342519 /nfs/dbraw/zinc/34/25/19/842342519.db2.gz PUBCHUJYJDYTNR-IBGZPJMESA-N 1 0 379.504 3.732 20 30 GHEDRO Cc1sc2ncn(CCC(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)c(=O)c2c1C ZINC000328832917 842401823 /nfs/dbraw/zinc/40/18/23/842401823.db2.gz RQVZJTMBGXKJDE-MRXNPFEDSA-N 1 0 390.553 3.542 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000555593085 861313849 /nfs/dbraw/zinc/31/38/49/861313849.db2.gz QEZUROCRYUFCHO-HUUCEWRRSA-N 1 0 377.423 3.561 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCOC2(CCSCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329352074 861316110 /nfs/dbraw/zinc/31/61/10/861316110.db2.gz ULQIPLONQTTXND-OKZBNKHCSA-N 1 0 395.613 3.588 20 30 GHEDRO Cc1cc([C@H]2CCCN2C(=O)NC2CC[NH+](CCc3ccccc3)CC2)on1 ZINC000328848442 842608003 /nfs/dbraw/zinc/60/80/03/842608003.db2.gz WABIJLHXGBXMIT-HXUWFJFHSA-N 1 0 382.508 3.741 20 30 GHEDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)Nc1c(Cl)cccc1Cl ZINC000328852115 842639339 /nfs/dbraw/zinc/63/93/39/842639339.db2.gz WWYKXZJRAQBKJM-WQVCFCJDSA-N 1 0 387.307 3.833 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000282427984 861330381 /nfs/dbraw/zinc/33/03/81/861330381.db2.gz YKFYUMFBEXKNFY-FQEVSTJZSA-N 1 0 394.567 3.542 20 30 GHEDRO C[C@H](N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)cc1Cl ZINC000571477904 842720338 /nfs/dbraw/zinc/72/03/38/842720338.db2.gz VTAVGVOZZBQHTK-HTAPYJJXSA-N 1 0 382.939 3.851 20 30 GHEDRO C=CCc1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000107601808 842753609 /nfs/dbraw/zinc/75/36/09/842753609.db2.gz QNDMVFBZHCMNLN-HDICACEKSA-N 1 0 388.552 3.920 20 30 GHEDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1OC(F)F ZINC000512182508 842803764 /nfs/dbraw/zinc/80/37/64/842803764.db2.gz SPLWYNHJNIWSPM-UHFFFAOYSA-N 1 0 384.386 3.884 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000512184383 842826336 /nfs/dbraw/zinc/82/63/36/842826336.db2.gz MGZVFJWAGPPPEW-JOCHJYFZSA-N 1 0 390.531 3.701 20 30 GHEDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000599574715 861350575 /nfs/dbraw/zinc/35/05/75/861350575.db2.gz YZPVASSCQFPRAR-IERDGZPVSA-N 1 0 380.467 3.987 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549644873 842877406 /nfs/dbraw/zinc/87/74/06/842877406.db2.gz YPDAQFOLORZLIG-FQEVSTJZSA-N 1 0 397.567 3.910 20 30 GHEDRO N#CCSc1cccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000430715601 842889259 /nfs/dbraw/zinc/88/92/59/842889259.db2.gz PQWDXYRGUBYQAW-UHFFFAOYSA-N 1 0 395.528 3.707 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000329389312 861363224 /nfs/dbraw/zinc/36/32/24/861363224.db2.gz QXWUOSKXOQGJCE-QXAKKESOSA-N 1 0 395.613 3.588 20 30 GHEDRO C#CCOc1cccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000730951630 861367000 /nfs/dbraw/zinc/36/70/00/861367000.db2.gz LSFOOFLJSOVUJB-UHFFFAOYSA-N 1 0 379.529 3.650 20 30 GHEDRO CC[C@@H]1C[C@H](C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)CC(=O)N1 ZINC000329403661 861377085 /nfs/dbraw/zinc/37/70/85/861377085.db2.gz CEUXEEUXOAUSOT-DLBZAZTESA-N 1 0 376.501 3.605 20 30 GHEDRO O=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329402952 861377522 /nfs/dbraw/zinc/37/75/22/861377522.db2.gz YOEHPIPJVGPADC-MJGOQNOKSA-N 1 0 397.498 3.763 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599594339 861379080 /nfs/dbraw/zinc/37/90/80/861379080.db2.gz JYZMGLNRAMSBSS-HRAATJIYSA-N 1 0 389.565 3.798 20 30 GHEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cnc([C@@H]2CCCO2)s1 ZINC000329406802 861380605 /nfs/dbraw/zinc/38/06/05/861380605.db2.gz XIPKLVLIAJIOAZ-KRWDZBQOSA-N 1 0 387.505 3.588 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599594347 861381531 /nfs/dbraw/zinc/38/15/31/861381531.db2.gz JYZMGLNRAMSBSS-IIBYNOLFSA-N 1 0 389.565 3.798 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000430921107 843188628 /nfs/dbraw/zinc/18/86/28/843188628.db2.gz RWSQYGPEKMPUML-JOCHJYFZSA-N 1 0 377.488 3.611 20 30 GHEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610585912 843200676 /nfs/dbraw/zinc/20/06/76/843200676.db2.gz ZKEDUSNVXWBSNF-ISKFKSNPSA-N 1 0 378.516 3.837 20 30 GHEDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662426815 843221292 /nfs/dbraw/zinc/22/12/92/843221292.db2.gz DJEVDIYXLDEOIG-GFCCVEGCSA-N 1 0 386.311 3.800 20 30 GHEDRO C#Cc1ccc(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000728860766 843225667 /nfs/dbraw/zinc/22/56/67/843225667.db2.gz IJQUOXFEAJIETO-UHFFFAOYSA-N 1 0 390.314 3.964 20 30 GHEDRO C[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329418852 861394291 /nfs/dbraw/zinc/39/42/91/861394291.db2.gz GVKGXASYJFMXSQ-GJZGRUSLSA-N 1 0 376.570 3.853 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000329418056 861394393 /nfs/dbraw/zinc/39/43/93/861394393.db2.gz ZQEITKHFWPNGRE-KBPBESRZSA-N 1 0 382.302 3.571 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)CCC[NH2+]1 ZINC000662436607 843243709 /nfs/dbraw/zinc/24/37/09/843243709.db2.gz VGKCSRKWVUXGGO-QHCPKHFHSA-N 1 0 393.487 3.974 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)CCC[NH2+]1 ZINC000662436606 843244125 /nfs/dbraw/zinc/24/41/25/843244125.db2.gz VGKCSRKWVUXGGO-HSZRJFAPSA-N 1 0 393.487 3.974 20 30 GHEDRO CCOC(=O)CC1(Nc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)Cc2ccccc2C1 ZINC001167802280 843325434 /nfs/dbraw/zinc/32/54/34/843325434.db2.gz MMGNWWKJWIKBGA-PCLIKHOPSA-N 1 0 390.487 3.682 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261603976 843330818 /nfs/dbraw/zinc/33/08/18/843330818.db2.gz CWFWVKFPCRUFSH-ZCNNSNEGSA-N 1 0 394.519 3.663 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC[NH2+]1 ZINC000662525150 843381650 /nfs/dbraw/zinc/38/16/50/843381650.db2.gz QXXIBOFQHBVOHG-WAIKUNEKSA-N 1 0 395.478 3.954 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662518649 843385318 /nfs/dbraw/zinc/38/53/18/843385318.db2.gz HIBCQCVAFDPGDZ-GWCFXTLKSA-N 1 0 398.322 3.800 20 30 GHEDRO C=CC[C@]1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)CCC[NH2+]1 ZINC000662531450 843395507 /nfs/dbraw/zinc/39/55/07/843395507.db2.gz WIFVBQISMUTZTK-HXUWFJFHSA-N 1 0 396.453 3.568 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000510748617 843397742 /nfs/dbraw/zinc/39/77/42/843397742.db2.gz QJLIVZWDMOJSBF-RTBURBONSA-N 1 0 398.551 3.885 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000429809729 843411105 /nfs/dbraw/zinc/41/11/05/843411105.db2.gz OYGALYOQRUMCHN-SFHVURJKSA-N 1 0 377.513 3.984 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CCC[NH2+]1 ZINC000662581831 843419984 /nfs/dbraw/zinc/41/99/84/843419984.db2.gz WAWFKWGKSVAPPC-FQEVSTJZSA-N 1 0 375.900 3.603 20 30 GHEDRO [NH3+]CC1(CCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000662582743 843420492 /nfs/dbraw/zinc/42/04/92/843420492.db2.gz STWAXEYOFXVEHG-UHFFFAOYSA-N 1 0 386.311 3.835 20 30 GHEDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662683526 843516315 /nfs/dbraw/zinc/51/63/15/843516315.db2.gz PMQFRVLRFKVTLT-UHFFFAOYSA-N 1 0 384.295 3.539 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CCC[NH2+]1 ZINC000662683790 843517214 /nfs/dbraw/zinc/51/72/14/843517214.db2.gz UCINMCIAFWYUHK-GAJHUEQPSA-N 1 0 395.503 3.545 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000599635768 861428828 /nfs/dbraw/zinc/42/88/28/861428828.db2.gz VPTQWGXJTOWCKV-LJQANCHMSA-N 1 0 390.405 3.569 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[NH2+]1 ZINC000418597653 843654403 /nfs/dbraw/zinc/65/44/03/843654403.db2.gz HUQOCFQUYZSCRZ-KKSFZXQISA-N 1 0 380.467 3.550 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738836 843806357 /nfs/dbraw/zinc/80/63/57/843806357.db2.gz KKVKONSJZBJRNR-IBGZPJMESA-N 1 0 389.499 3.843 20 30 GHEDRO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512829789 843822213 /nfs/dbraw/zinc/82/22/13/843822213.db2.gz XRAQXOFURRVORG-LJQANCHMSA-N 1 0 398.478 3.597 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433225439 843884306 /nfs/dbraw/zinc/88/43/06/843884306.db2.gz BRELSDOTFSUDJO-FQEVSTJZSA-N 1 0 376.504 3.540 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)([NH+](C)C)C1 ZINC000509760967 843970587 /nfs/dbraw/zinc/97/05/87/843970587.db2.gz IXKROGMYRJAUAB-FDDCHVKYSA-N 1 0 398.551 3.622 20 30 GHEDRO CCc1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000731149065 861482431 /nfs/dbraw/zinc/48/24/31/861482431.db2.gz HKUYPSOTLLMYHB-UHFFFAOYSA-N 1 0 386.590 3.773 20 30 GHEDRO NC(=NOCc1noc(-c2cccs2)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000067099001 844657115 /nfs/dbraw/zinc/65/71/15/844657115.db2.gz DSXKLLFWWSGKKZ-UHFFFAOYSA-N 1 0 397.504 3.621 20 30 GHEDRO COc1cc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC ZINC000512600069 844709230 /nfs/dbraw/zinc/70/92/30/844709230.db2.gz OKSQKTJFBXMIKK-UHFFFAOYSA-N 1 0 393.487 3.735 20 30 GHEDRO COc1cc(CN2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)cc(OC)c1 ZINC000614169165 844830158 /nfs/dbraw/zinc/83/01/58/844830158.db2.gz ZGIHPKLWZPJDNJ-UHFFFAOYSA-N 1 0 393.531 3.823 20 30 GHEDRO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000181246153 844839955 /nfs/dbraw/zinc/83/99/55/844839955.db2.gz OVGLHKBDSHQIKJ-UHFFFAOYSA-N 1 0 381.476 3.784 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(O)c(OC)c1 ZINC000178869320 844885969 /nfs/dbraw/zinc/88/59/69/844885969.db2.gz HJGFJIIWCQHVTD-UHFFFAOYSA-N 1 0 377.488 3.713 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000610973229 844946841 /nfs/dbraw/zinc/94/68/41/844946841.db2.gz BDKXQFWLYAGIHV-UHFFFAOYSA-N 1 0 378.476 3.700 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000614472737 844971261 /nfs/dbraw/zinc/97/12/61/844971261.db2.gz HHUIAFCQJSFVRJ-WZONZLPQSA-N 1 0 376.504 3.973 20 30 GHEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512673213 844992896 /nfs/dbraw/zinc/99/28/96/844992896.db2.gz PPOICPHRPZGMRK-INIZCTEOSA-N 1 0 395.478 3.590 20 30 GHEDRO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433029123 845011892 /nfs/dbraw/zinc/01/18/92/845011892.db2.gz FNGMVKXBNXZEDX-LJQANCHMSA-N 1 0 385.895 3.990 20 30 GHEDRO C=CC[NH+]1CCC(NCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000236576349 845081756 /nfs/dbraw/zinc/08/17/56/845081756.db2.gz GQJOCPWYSPGTOV-UHFFFAOYSA-N 1 0 375.314 3.579 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)cn2)cc1 ZINC000599719742 861548471 /nfs/dbraw/zinc/54/84/71/861548471.db2.gz UXMVDRGNFBNMPP-IBGZPJMESA-N 1 0 391.475 3.884 20 30 GHEDRO Cc1cc(-c2noc([C@H](c3cc4ccccc4o3)N3CC[C@@H]([NH3+])C3)n2)ccc1C#N ZINC001211779082 845445233 /nfs/dbraw/zinc/44/52/33/845445233.db2.gz RIUAZXBEARDSCD-NQIIRXRSSA-N 1 0 399.454 3.785 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c(F)cc(C#N)cc1F ZINC000119582172 845600955 /nfs/dbraw/zinc/60/09/55/845600955.db2.gz PEPRJDQMKUVRBN-UHFFFAOYSA-N 1 0 377.357 3.573 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000555697781 861603485 /nfs/dbraw/zinc/60/34/85/861603485.db2.gz XOOMNVAKZMJGQE-MRXNPFEDSA-N 1 0 394.918 3.750 20 30 GHEDRO CCOc1cccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000599749520 861604245 /nfs/dbraw/zinc/60/42/45/861604245.db2.gz JJDNBRSZZKWUAN-UHFFFAOYSA-N 1 0 391.515 3.692 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCn2c(C)nc3ccccc32)c1 ZINC000104156039 845808502 /nfs/dbraw/zinc/80/85/02/845808502.db2.gz VFTSRCSLNQABRZ-UHFFFAOYSA-N 1 0 395.507 3.959 20 30 GHEDRO COc1ccc(C2(C[NH2+]Cc3cnc4c(C#N)cnn4c3)CCCCC2)cc1 ZINC000551229105 846251120 /nfs/dbraw/zinc/25/11/20/846251120.db2.gz HWIREVMFXWWMIC-UHFFFAOYSA-N 1 0 375.476 3.601 20 30 GHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000502623135 846262000 /nfs/dbraw/zinc/26/20/00/846262000.db2.gz LRPZADMWYRRTRX-UHFFFAOYSA-N 1 0 380.517 3.795 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000448824354 846287215 /nfs/dbraw/zinc/28/72/15/846287215.db2.gz OMSZSAVTOCOKQR-UHFFFAOYSA-N 1 0 378.314 3.515 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc(OC)c(OC)cc1Cl)[n+]1ccccc1 ZINC000731494566 861662424 /nfs/dbraw/zinc/66/24/24/861662424.db2.gz UQZADIQPHHNDOB-UHFFFAOYSA-O 1 0 391.900 3.632 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](OC(F)F)C2)sc2c1CCCC2 ZINC000611577471 846379769 /nfs/dbraw/zinc/37/97/69/846379769.db2.gz JLDPRPRBYVPFHN-LBPRGKRZSA-N 1 0 383.464 3.531 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000137008210 846407400 /nfs/dbraw/zinc/40/74/00/846407400.db2.gz LXNQPSHQQIEVOX-UHFFFAOYSA-N 1 0 394.494 3.855 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000280514527 846431785 /nfs/dbraw/zinc/43/17/85/846431785.db2.gz DIZWOKCUHXVQNI-IAGOWNOFSA-N 1 0 384.785 3.587 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414541136 846447406 /nfs/dbraw/zinc/44/74/06/846447406.db2.gz PVVCKCSITUQFSC-TZIWHRDSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000280679980 846496890 /nfs/dbraw/zinc/49/68/90/846496890.db2.gz QEOYADVLFFRMAF-UHFFFAOYSA-N 1 0 387.524 3.733 20 30 GHEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000502856389 846552161 /nfs/dbraw/zinc/55/21/61/846552161.db2.gz NQJXCJYLLRRLES-MBOZVWFJSA-N 1 0 398.551 3.524 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(C)cc1 ZINC000179665814 861692898 /nfs/dbraw/zinc/69/28/98/861692898.db2.gz WETSFLLFONKYEI-VQTJNVASSA-N 1 0 396.560 3.506 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1OC ZINC000414565053 846756321 /nfs/dbraw/zinc/75/63/21/846756321.db2.gz DRNBHMPYURNKFP-DZGCQCFKSA-N 1 0 384.314 3.663 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)nn1 ZINC000657388833 846828063 /nfs/dbraw/zinc/82/80/63/846828063.db2.gz GUAHGWAWYBNYDZ-UHFFFAOYSA-N 1 0 381.524 3.760 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000501485476 846961498 /nfs/dbraw/zinc/96/14/98/846961498.db2.gz YFJRIVJRVIOBRD-SJORKVTESA-N 1 0 381.476 3.580 20 30 GHEDRO Cc1cc(C)nc(-n2cc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)c(C(C)C)n2)n1 ZINC000329605883 861754872 /nfs/dbraw/zinc/75/48/72/861754872.db2.gz HRLYQFWZMJSMDA-SFHVURJKSA-N 1 0 398.555 3.828 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272678896 847143980 /nfs/dbraw/zinc/14/39/80/847143980.db2.gz MYOLGSZAZWHJOK-MJGOQNOKSA-N 1 0 378.476 3.716 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000582416493 847184929 /nfs/dbraw/zinc/18/49/29/847184929.db2.gz XZHVNTFJFBUBSQ-IBGZPJMESA-N 1 0 377.488 3.629 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431405161 847187226 /nfs/dbraw/zinc/18/72/26/847187226.db2.gz WJQVQFXEAHIPGF-LPHOPBHVSA-N 1 0 378.476 3.741 20 30 GHEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)cc(Br)c1OC(F)F ZINC000430042486 847226053 /nfs/dbraw/zinc/22/60/53/847226053.db2.gz YOOVNMWGYSENOZ-UHFFFAOYSA-N 1 0 375.213 3.843 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000501858839 847283112 /nfs/dbraw/zinc/28/31/12/847283112.db2.gz AJYSINDVTSOJOS-GOSISDBHSA-N 1 0 377.960 3.661 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000273465107 847346168 /nfs/dbraw/zinc/34/61/68/847346168.db2.gz NNMORZYIJUPOKB-IBGZPJMESA-N 1 0 389.544 3.522 20 30 GHEDRO Cc1nc2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2o1 ZINC000158364360 847350366 /nfs/dbraw/zinc/35/03/66/847350366.db2.gz AGDDSKJZCBKOFW-UHFFFAOYSA-N 1 0 377.448 3.604 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccc(C#N)s1 ZINC000422195131 847386086 /nfs/dbraw/zinc/38/60/86/847386086.db2.gz VJLKAURYGWUSJK-IGOJGBNBSA-N 1 0 382.533 3.576 20 30 GHEDRO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000499350642 861787226 /nfs/dbraw/zinc/78/72/26/861787226.db2.gz KNOUPHNCTMOMHM-IBGZPJMESA-N 1 0 379.504 3.815 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000127775016 847447889 /nfs/dbraw/zinc/44/78/89/847447889.db2.gz NRTRXPOCDFDIMB-SFHVURJKSA-N 1 0 397.544 3.552 20 30 GHEDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC2(C1)Oc1ccccc1O2 ZINC000329621535 861806264 /nfs/dbraw/zinc/80/62/64/861806264.db2.gz RMYOTHNPHWXGRO-MRXNPFEDSA-N 1 0 399.516 3.672 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](CCO)CC2)c1C#N ZINC000421010458 847607829 /nfs/dbraw/zinc/60/78/29/847607829.db2.gz FZAZTZRSUBOMFB-SFHVURJKSA-N 1 0 386.540 3.515 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000502256588 847663362 /nfs/dbraw/zinc/66/33/62/847663362.db2.gz NYYNJKZDQPPXGR-UHFFFAOYSA-N 1 0 382.464 3.954 20 30 GHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479690179 847804545 /nfs/dbraw/zinc/80/45/45/847804545.db2.gz SGWCOMDLWOSBQK-IBGZPJMESA-N 1 0 395.528 3.550 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611673935 847887941 /nfs/dbraw/zinc/88/79/41/847887941.db2.gz MSTWXSWOBIYSOT-FQEVSTJZSA-N 1 0 397.544 3.894 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001167594789 847945082 /nfs/dbraw/zinc/94/50/82/847945082.db2.gz SNLMILMOLUIBCM-CYIBOSRVSA-N 1 0 396.579 3.512 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000131962854 861848002 /nfs/dbraw/zinc/84/80/02/861848002.db2.gz MOUQFEVSDZIRAB-FQEVSTJZSA-N 1 0 378.476 3.782 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)c1 ZINC000366887880 847953080 /nfs/dbraw/zinc/95/30/80/847953080.db2.gz WQNKFQJBHLNKRT-HXUWFJFHSA-N 1 0 389.499 3.564 20 30 GHEDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000329633062 861852455 /nfs/dbraw/zinc/85/24/55/861852455.db2.gz WYUFAHNOWGRXKV-GFCCVEGCSA-N 1 0 379.863 3.766 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCCCS3)cc2)C[C@H](C)O1 ZINC000329631722 861852708 /nfs/dbraw/zinc/85/27/08/861852708.db2.gz IJCDHBVOTJLJEN-QKLQHJQFSA-N 1 0 391.581 3.585 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000128110112 848072207 /nfs/dbraw/zinc/07/22/07/848072207.db2.gz JKSBSWFGUCIXOC-NRFANRHFSA-N 1 0 389.499 3.695 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000162657320 861872762 /nfs/dbraw/zinc/87/27/62/861872762.db2.gz UVYNSXMLSUBIKE-PKTZIBPZSA-N 1 0 388.515 3.754 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3cccc(F)c3)CC2)cc1 ZINC000604159774 861874010 /nfs/dbraw/zinc/87/40/10/861874010.db2.gz VPVCEXSESPRXQR-UHFFFAOYSA-N 1 0 395.478 3.591 20 30 GHEDRO N#Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000731851822 861908193 /nfs/dbraw/zinc/90/81/93/861908193.db2.gz GIARCZMXHONJQE-SFHVURJKSA-N 1 0 384.867 3.703 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)CCC1CC[NH2+]CC1 ZINC000237723008 848586228 /nfs/dbraw/zinc/58/62/28/848586228.db2.gz BLMHOSPAPBYBGN-UHFFFAOYSA-N 1 0 383.305 3.883 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000582875003 848624033 /nfs/dbraw/zinc/62/40/33/848624033.db2.gz YCVJSHDRPURNLC-PGRDOPGGSA-N 1 0 379.504 3.577 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(-c2ccccc2)n1 ZINC000121173988 848706257 /nfs/dbraw/zinc/70/62/57/848706257.db2.gz UWDNBFUXKZVLQE-NRFANRHFSA-N 1 0 389.503 3.983 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000604200298 861938956 /nfs/dbraw/zinc/93/89/56/861938956.db2.gz HEKQEBZTMKXKBK-CVDCTZTESA-N 1 0 391.515 3.915 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000604200299 861939104 /nfs/dbraw/zinc/93/91/04/861939104.db2.gz HEKQEBZTMKXKBK-WMZHIEFXSA-N 1 0 391.515 3.915 20 30 GHEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000731928293 861974434 /nfs/dbraw/zinc/97/44/34/861974434.db2.gz HVNADOJNDGUEFQ-UHFFFAOYSA-N 1 0 398.454 3.715 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000329123256 849059825 /nfs/dbraw/zinc/05/98/25/849059825.db2.gz XCPQVGFAXDOAOS-UHFFFAOYSA-N 1 0 381.520 3.996 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000329669675 861980220 /nfs/dbraw/zinc/98/02/20/861980220.db2.gz MKZCQTCGXLBWFG-LJQANCHMSA-N 1 0 396.535 3.837 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000458394327 849134282 /nfs/dbraw/zinc/13/42/82/849134282.db2.gz BXFYJNFQHWURBF-YYWHXJBOSA-N 1 0 382.552 3.841 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)s1)Cc1ccc(C#N)cc1 ZINC000583170677 849249390 /nfs/dbraw/zinc/24/93/90/849249390.db2.gz ILPBBNGYYQWUOC-UHFFFAOYSA-N 1 0 378.339 3.946 20 30 GHEDRO CC(C)COC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000054325883 849344425 /nfs/dbraw/zinc/34/44/25/849344425.db2.gz SZGWCAYJKUCNAF-UHFFFAOYSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000583349803 849691688 /nfs/dbraw/zinc/69/16/88/849691688.db2.gz WMRXPNDSKLEGCB-NRFANRHFSA-N 1 0 389.499 3.582 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000604276869 862059164 /nfs/dbraw/zinc/05/91/64/862059164.db2.gz WMNIEUGOXIDFFM-BETUJISGSA-N 1 0 393.331 3.950 20 30 GHEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C[NH+](CC)CC)c3)cc2C1=O ZINC000024926394 849886520 /nfs/dbraw/zinc/88/65/20/849886520.db2.gz CTYKQRDKGAXCOW-UHFFFAOYSA-N 1 0 391.471 3.563 20 30 GHEDRO C[C@]1(CCc2ccccc2)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000434908004 849890485 /nfs/dbraw/zinc/89/04/85/849890485.db2.gz VTJQCAXYAIEFNI-QFIPXVFZSA-N 1 0 382.529 3.677 20 30 GHEDRO C=C(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000583436263 849904179 /nfs/dbraw/zinc/90/41/79/849904179.db2.gz YJVZCDRICYISON-HSZRJFAPSA-N 1 0 380.532 3.723 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000583441467 849909273 /nfs/dbraw/zinc/90/92/73/849909273.db2.gz IUXCPDUUHXIYFD-OAQYLSRUSA-N 1 0 385.471 3.614 20 30 GHEDRO CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000424144651 850248314 /nfs/dbraw/zinc/24/83/14/850248314.db2.gz SQBUHHJWVRKTNI-HUUCEWRRSA-N 1 0 396.354 3.856 20 30 GHEDRO Cc1sc(NC(=O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000426462664 850261232 /nfs/dbraw/zinc/26/12/32/850261232.db2.gz RRHRTZCWYOMKBG-IBGZPJMESA-N 1 0 396.560 3.629 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1C#N ZINC000426471529 850303228 /nfs/dbraw/zinc/30/32/28/850303228.db2.gz MQSUGXZHQZTGFG-GHTZIAJQSA-N 1 0 394.494 3.977 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)c1C#N ZINC000426471534 850303363 /nfs/dbraw/zinc/30/33/63/850303363.db2.gz MQSUGXZHQZTGFG-WIYYLYMNSA-N 1 0 394.494 3.977 20 30 GHEDRO C=CCCn1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)nn1 ZINC000424572895 850547279 /nfs/dbraw/zinc/54/72/79/850547279.db2.gz YRZTZGNYPYYRKY-UHFFFAOYSA-N 1 0 389.503 3.513 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)C2)C1 ZINC000505701888 850590448 /nfs/dbraw/zinc/59/04/48/850590448.db2.gz RWSKMMHQHFSGFH-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000424666729 850612563 /nfs/dbraw/zinc/61/25/63/850612563.db2.gz OHOUOUQTCXOPNU-SFHVURJKSA-N 1 0 396.453 3.769 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000435565104 850650164 /nfs/dbraw/zinc/65/01/64/850650164.db2.gz JQUFHXXUOLPOPK-FQEVSTJZSA-N 1 0 378.476 3.741 20 30 GHEDRO N#CCCCn1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000435577941 850687049 /nfs/dbraw/zinc/68/70/49/850687049.db2.gz KVDYPNLWOONGMS-UHFFFAOYSA-N 1 0 386.499 3.733 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2=O)cc1 ZINC000487547832 850715426 /nfs/dbraw/zinc/71/54/26/850715426.db2.gz ADVDOYWIZSBDFH-KRWDZBQOSA-N 1 0 378.457 3.560 20 30 GHEDRO C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C1=CC[N@H+](C)CC1 ZINC000329707290 862164316 /nfs/dbraw/zinc/16/43/16/862164316.db2.gz LLPAAFKSKNZASO-OAHLLOKOSA-N 1 0 395.503 3.570 20 30 GHEDRO CC[C@](C)(C#N)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000505291914 850793503 /nfs/dbraw/zinc/79/35/03/850793503.db2.gz ZXYOTNGSQXAQHJ-XMMPIXPASA-N 1 0 390.531 3.883 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1cc(C#N)ccc1F ZINC000174787641 850796341 /nfs/dbraw/zinc/79/63/41/850796341.db2.gz JHSKORHQYNQHGL-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000435748846 850813844 /nfs/dbraw/zinc/81/38/44/850813844.db2.gz PZEARENYPMIDIR-WMLDXEAASA-N 1 0 382.298 3.681 20 30 GHEDRO C=CCC[C@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000435760037 850854778 /nfs/dbraw/zinc/85/47/78/850854778.db2.gz ATYCYQQQIHAEKD-LADGPHEKSA-N 1 0 393.531 3.630 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](CC)Oc2ccccc2C(F)(F)F)CC1 ZINC000440156394 850858235 /nfs/dbraw/zinc/85/82/35/850858235.db2.gz GLDQWSXNKADXLC-MRXNPFEDSA-N 1 0 399.457 3.812 20 30 GHEDRO O[C@@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)COc1ccccc1Cl ZINC000515467087 851058595 /nfs/dbraw/zinc/05/85/95/851058595.db2.gz MOIFNPKZSWSNPR-INIZCTEOSA-N 1 0 383.797 3.740 20 30 GHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3c(F)cc(C#N)cc3F)sc2C1 ZINC000425077793 851084247 /nfs/dbraw/zinc/08/42/47/851084247.db2.gz IXCVPXCHXRZBPJ-UHFFFAOYSA-N 1 0 376.432 3.702 20 30 GHEDRO COC(=O)[C@H](CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000425439936 851087509 /nfs/dbraw/zinc/08/75/09/851087509.db2.gz BBHPQLRKUDRZMM-HXUWFJFHSA-N 1 0 396.462 3.887 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)CC1 ZINC000425455121 851154376 /nfs/dbraw/zinc/15/43/76/851154376.db2.gz TXGNBERJGXPBRV-UHFFFAOYSA-N 1 0 388.581 3.561 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)C2CCCC2)cc1OC ZINC000515559816 851190384 /nfs/dbraw/zinc/19/03/84/851190384.db2.gz OCLCVUFJZWAVPE-MRXNPFEDSA-N 1 0 384.314 3.663 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCN(c2ccccc2)CC1)C(C)C ZINC000514073823 851193054 /nfs/dbraw/zinc/19/30/54/851193054.db2.gz DIPDGOGCAKVJHB-JOCHJYFZSA-N 1 0 384.568 3.653 20 30 GHEDRO CCc1cccc2c(C3CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC3)c[nH]c21 ZINC000515743721 851406507 /nfs/dbraw/zinc/40/65/07/851406507.db2.gz ZUJJERWCLOVGCC-HSZRJFAPSA-N 1 0 380.536 3.964 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000488363222 851430782 /nfs/dbraw/zinc/43/07/82/851430782.db2.gz FJPWIOZNZLZOLU-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521424 862242203 /nfs/dbraw/zinc/24/22/03/862242203.db2.gz JDRYRPNHFYJIJL-OFNKIYASSA-N 1 0 377.488 3.987 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000436342778 851487179 /nfs/dbraw/zinc/48/71/79/851487179.db2.gz JFJGEBGKWSFRPZ-FQEVSTJZSA-N 1 0 384.524 3.521 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3csc(C#N)c3)CC2)c1C ZINC000894493455 851528828 /nfs/dbraw/zinc/52/88/28/851528828.db2.gz UVLWTNKXNLYPDX-UHFFFAOYSA-N 1 0 384.549 3.737 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000303172558 851540103 /nfs/dbraw/zinc/54/01/03/851540103.db2.gz JLIMJYGTGOKZDK-UHFFFAOYSA-N 1 0 379.504 3.641 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000515833626 851540367 /nfs/dbraw/zinc/54/03/67/851540367.db2.gz INYFMXLOHTXUTH-SFHVURJKSA-N 1 0 396.434 3.658 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(Cl)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000434733849 851554178 /nfs/dbraw/zinc/55/41/78/851554178.db2.gz DCCOBUKYLYVFMD-LAUBAEHRSA-N 1 0 385.943 3.850 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443959318 862257571 /nfs/dbraw/zinc/25/75/71/862257571.db2.gz HTUDTSVSVIQGKE-RXVVDRJESA-N 1 0 397.544 3.713 20 30 GHEDRO C[C@H](C#N)CN(C)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000481787378 862259806 /nfs/dbraw/zinc/25/98/06/862259806.db2.gz LWKGWNYYZJLJHQ-HXUWFJFHSA-N 1 0 378.520 3.880 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000519557590 851715433 /nfs/dbraw/zinc/71/54/33/851715433.db2.gz OCKKMVCFPSJALB-XMSQKQJNSA-N 1 0 397.544 3.545 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000111496024 851732696 /nfs/dbraw/zinc/73/26/96/851732696.db2.gz OVPYTWATZBKOPB-HNNXBMFYSA-N 1 0 383.458 3.976 20 30 GHEDRO O=C(NC1CC1)[C@H](O)C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000329738302 862277565 /nfs/dbraw/zinc/27/75/65/862277565.db2.gz UEWOTWOUEVCXGW-GOSISDBHSA-N 1 0 393.409 3.950 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000108508158 851798789 /nfs/dbraw/zinc/79/87/89/851798789.db2.gz GRSLAFUVHHLADL-IBGZPJMESA-N 1 0 376.460 3.956 20 30 GHEDRO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(NC(=O)c3ccsc3)CC2)C1=O ZINC000329741915 862285754 /nfs/dbraw/zinc/28/57/54/862285754.db2.gz OZMNSROTFVLRLX-KRWDZBQOSA-N 1 0 377.554 3.554 20 30 GHEDRO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000488940401 851876589 /nfs/dbraw/zinc/87/65/89/851876589.db2.gz NVIYCADSUFEHKM-QGZVFWFLSA-N 1 0 377.410 3.697 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000111859354 851948927 /nfs/dbraw/zinc/94/89/27/851948927.db2.gz BZZVZOXZQLFMTC-UZLBHIALSA-N 1 0 391.943 3.852 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@@H](c2ccccc2F)C1 ZINC000550212319 851962227 /nfs/dbraw/zinc/96/22/27/851962227.db2.gz YTGUPNDPFQDVMQ-QZTJIDSGSA-N 1 0 395.478 3.959 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438042988 851976383 /nfs/dbraw/zinc/97/63/83/851976383.db2.gz SAZRRZFICZHFGE-QHCPKHFHSA-N 1 0 388.515 3.867 20 30 GHEDRO COc1cccc([C@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000517497437 852031845 /nfs/dbraw/zinc/03/18/45/852031845.db2.gz HOTQIXFXJXRTSE-FGZHOGPDSA-N 1 0 375.472 3.899 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCN3CCCCC3=O)c2)c1 ZINC000517559777 852097916 /nfs/dbraw/zinc/09/79/16/852097916.db2.gz ONENNLRRIPKLKO-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000489184941 852098905 /nfs/dbraw/zinc/09/89/05/852098905.db2.gz MJPNGLAWALVNMP-SIKLNZKXSA-N 1 0 375.472 3.552 20 30 GHEDRO N#CC1CCC(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000570390302 852138262 /nfs/dbraw/zinc/13/82/62/852138262.db2.gz UJOYNEITWZSELJ-WZOJCFFYSA-N 1 0 379.504 3.903 20 30 GHEDRO Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(OCC[NH+](C)C)c1 ZINC000151307925 852168056 /nfs/dbraw/zinc/16/80/56/852168056.db2.gz SSFGXZQLMLGDOY-UHFFFAOYSA-N 1 0 383.517 3.679 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000329800660 862330096 /nfs/dbraw/zinc/33/00/96/862330096.db2.gz IUHSSLKDMAGZSZ-KBAYOESNSA-N 1 0 383.496 3.660 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000516151168 852215063 /nfs/dbraw/zinc/21/50/63/852215063.db2.gz NKBYOPCSHHDZNF-NRFANRHFSA-N 1 0 393.556 3.820 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000329829180 862353557 /nfs/dbraw/zinc/35/35/57/862353557.db2.gz JRZZCAHDTWXEOC-NRFANRHFSA-N 1 0 395.551 3.921 20 30 GHEDRO CC[C@@H](CC#N)[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000516311437 852410608 /nfs/dbraw/zinc/41/06/08/852410608.db2.gz XXGCXFQWOFDGHF-KRWDZBQOSA-N 1 0 394.475 3.558 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)[NH+](C)C)c1 ZINC000425645135 852450212 /nfs/dbraw/zinc/45/02/12/852450212.db2.gz OEFDULFTGKHLJM-IIBYNOLFSA-N 1 0 380.492 3.572 20 30 GHEDRO CC[NH+]=C(N[C@H](C)c1cccc(N2CCCC2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261952158 852490709 /nfs/dbraw/zinc/49/07/09/852490709.db2.gz HTDQYXJFRNOERI-UMSONDCASA-N 1 0 384.568 3.716 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000489681682 852528833 /nfs/dbraw/zinc/52/88/33/852528833.db2.gz DRGIDLXZPSCCKD-QHCPKHFHSA-N 1 0 377.463 3.826 20 30 GHEDRO Cc1ccc(-n2ccnc2)c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000329843646 862366781 /nfs/dbraw/zinc/36/67/81/862366781.db2.gz PNNWGGVCOYQOBN-UHFFFAOYSA-N 1 0 382.508 3.520 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CC[C@@]2(CCOC2)C1 ZINC000261955834 852594401 /nfs/dbraw/zinc/59/44/01/852594401.db2.gz IRLIIDHLHUQGLB-JOCHJYFZSA-N 1 0 398.482 3.591 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000425697062 852677271 /nfs/dbraw/zinc/67/72/71/852677271.db2.gz DFYCZRDJAFDERD-FGSXEWAUSA-N 1 0 376.504 3.924 20 30 GHEDRO CN(c1ccccc1)C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000490011908 852722956 /nfs/dbraw/zinc/72/29/56/852722956.db2.gz IBLCJAUUTDAJJX-HSZRJFAPSA-N 1 0 388.515 3.654 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262342715 862389891 /nfs/dbraw/zinc/38/98/91/862389891.db2.gz CWAMFDWEHGDMLH-VNXMGFANSA-N 1 0 399.579 3.831 20 30 GHEDRO Cc1c(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cccc1C(=O)N1CCSCC1 ZINC000329885236 862397314 /nfs/dbraw/zinc/39/73/14/862397314.db2.gz UHRQZOVEQZNKBW-GJZGRUSLSA-N 1 0 375.538 3.645 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(Cl)cc1F ZINC000120834290 852895623 /nfs/dbraw/zinc/89/56/23/852895623.db2.gz QRUPZKNLNAZEOR-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000249507336 852900121 /nfs/dbraw/zinc/90/01/21/852900121.db2.gz YTDBDNBYVOIWAY-KXBFYZLASA-N 1 0 394.357 3.547 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427271013 852920789 /nfs/dbraw/zinc/92/07/89/852920789.db2.gz AFWMNAJLONTEJJ-UHFFFAOYSA-N 1 0 388.519 3.547 20 30 GHEDRO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cccc(Br)c1 ZINC000516746781 852967937 /nfs/dbraw/zinc/96/79/37/852967937.db2.gz PLJQZFCHBKTEPW-SFHVURJKSA-N 1 0 380.330 3.714 20 30 GHEDRO N#Cc1ccc2ncc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)n2c1 ZINC000506025000 852986404 /nfs/dbraw/zinc/98/64/04/852986404.db2.gz ATWOSHLQNNIQTH-UHFFFAOYSA-N 1 0 381.483 3.677 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000518177797 853004864 /nfs/dbraw/zinc/00/48/64/853004864.db2.gz YAFRTITZGRAPIL-HSZRJFAPSA-N 1 0 391.515 3.696 20 30 GHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000669058260 853009514 /nfs/dbraw/zinc/00/95/14/853009514.db2.gz NPRFYIXKYZAYJM-LEWJYISDSA-N 1 0 397.567 3.553 20 30 GHEDRO COc1ccccc1NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccccc1 ZINC000186951582 862430725 /nfs/dbraw/zinc/43/07/25/862430725.db2.gz AQSOCKDRWRYMDQ-UHFFFAOYSA-O 1 0 382.465 3.638 20 30 GHEDRO COc1cccc(N2C[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2=O)c1 ZINC000507661418 853161709 /nfs/dbraw/zinc/16/17/09/853161709.db2.gz UGXOBXHIJGOMJF-ITGJCUMNSA-N 1 0 389.499 3.794 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1C#N ZINC000426255849 853184844 /nfs/dbraw/zinc/18/48/44/853184844.db2.gz JGRUPLNFYSNXEP-WOJBJXKFSA-N 1 0 386.540 3.656 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000329935865 862436886 /nfs/dbraw/zinc/43/68/86/862436886.db2.gz CSPXCJKPFKCBAO-RLLQIKCJSA-N 1 0 397.498 3.894 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2C2(O)CC2)sc2c1CCCCC2 ZINC000516955924 853199288 /nfs/dbraw/zinc/19/92/88/853199288.db2.gz QCJPZDDQSLRQOM-SFHVURJKSA-N 1 0 387.549 3.597 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000151366624 853349833 /nfs/dbraw/zinc/34/98/33/853349833.db2.gz VWCMNBPKJOSNHM-QGZVFWFLSA-N 1 0 399.922 3.773 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc2c(c1)OCCCO2 ZINC000261980077 853424846 /nfs/dbraw/zinc/42/48/46/853424846.db2.gz HSPDOPHLOTYIPN-UHFFFAOYSA-N 1 0 395.507 3.550 20 30 GHEDRO C[N@H+](CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CCCCCC1 ZINC000329965708 862464245 /nfs/dbraw/zinc/46/42/45/862464245.db2.gz VFFSSLGYQRZKGD-UHFFFAOYSA-N 1 0 386.475 3.921 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(O)c(OC)c1 ZINC000163917316 853627418 /nfs/dbraw/zinc/62/74/18/853627418.db2.gz ZVYDETSJYYPZSZ-UHFFFAOYSA-N 1 0 398.478 3.617 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC(C)(C)C)cc1 ZINC000055014635 853630631 /nfs/dbraw/zinc/63/06/31/853630631.db2.gz HVJMPZIGPPKBSU-UHFFFAOYSA-O 1 0 392.495 3.645 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425925912 853636423 /nfs/dbraw/zinc/63/64/23/853636423.db2.gz IUAZWCHSTUVGHI-UHFFFAOYSA-N 1 0 392.341 3.699 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188076357 853643544 /nfs/dbraw/zinc/64/35/44/853643544.db2.gz LRRYRAPEOMLHIY-HXUWFJFHSA-N 1 0 398.469 3.969 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000164022919 853647734 /nfs/dbraw/zinc/64/77/34/853647734.db2.gz MOJJVQUSFGXXGZ-QGZVFWFLSA-N 1 0 386.536 3.600 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000416049256 853685424 /nfs/dbraw/zinc/68/54/24/853685424.db2.gz QXYYWHLIZDIENX-UWVGGRQHSA-N 1 0 395.706 3.661 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000437936556 853703231 /nfs/dbraw/zinc/70/32/31/853703231.db2.gz ULEDHWFQCDHRFK-NXHRZFHOSA-N 1 0 399.457 3.589 20 30 GHEDRO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccc(C(F)(F)F)cc1 ZINC000440855242 853704157 /nfs/dbraw/zinc/70/41/57/853704157.db2.gz FMORFQYPMOQNJP-MSOLQXFVSA-N 1 0 399.457 3.733 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000520002732 853726944 /nfs/dbraw/zinc/72/69/44/853726944.db2.gz SQHOTFRNYDTLSN-WZONZLPQSA-N 1 0 391.515 3.525 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c(OC)c1 ZINC000164172482 853784888 /nfs/dbraw/zinc/78/48/88/853784888.db2.gz PZMNTPMFIACHII-UHFFFAOYSA-N 1 0 376.497 3.618 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)N2CCOCC2)o1 ZINC000481915032 862512426 /nfs/dbraw/zinc/51/24/26/862512426.db2.gz VIEUIPIMZUCZFF-FGZHOGPDSA-N 1 0 379.504 3.890 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1O ZINC000164418246 854004115 /nfs/dbraw/zinc/00/41/15/854004115.db2.gz XEYBBCFGSATBCA-UHFFFAOYSA-N 1 0 394.471 3.644 20 30 GHEDRO CN(C)c1cc[nH+]c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC000587999808 854064866 /nfs/dbraw/zinc/06/48/66/854064866.db2.gz SGKHBKNEAXDIOK-UHFFFAOYSA-N 1 0 397.910 3.918 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 ZINC000520334138 854090547 /nfs/dbraw/zinc/09/05/47/854090547.db2.gz XDIJXYKDZKBIDI-NRFANRHFSA-N 1 0 386.455 3.778 20 30 GHEDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520339455 854097473 /nfs/dbraw/zinc/09/74/73/854097473.db2.gz XGVYBPSGGPUJEP-KRWDZBQOSA-N 1 0 380.492 3.986 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000481924531 862531722 /nfs/dbraw/zinc/53/17/22/862531722.db2.gz LHDNVZKPQIIZOQ-OPAMFIHVSA-N 1 0 397.544 3.927 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CSCC#N)cc3)CC2)c1 ZINC000029417409 862532739 /nfs/dbraw/zinc/53/27/39/862532739.db2.gz NFNLCGSOILTMAF-UHFFFAOYSA-N 1 0 394.544 3.513 20 30 GHEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000441364984 854148065 /nfs/dbraw/zinc/14/80/65/854148065.db2.gz OMLWVCZMYICXDB-AVRDEDQJSA-N 1 0 387.487 3.730 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCCN2CC)cc1OC ZINC000520390609 854164391 /nfs/dbraw/zinc/16/43/91/854164391.db2.gz CNBMQELBKKYPSK-INIZCTEOSA-N 1 0 397.357 3.987 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588235377 854227412 /nfs/dbraw/zinc/22/74/12/854227412.db2.gz CLSJXYFCVRURKW-JXFKEZNVSA-N 1 0 391.475 3.836 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](c2cccs2)C1)C(C)C ZINC000473944029 854387746 /nfs/dbraw/zinc/38/77/46/854387746.db2.gz ZNVGPHAWFUIHNO-ZWKOTPCHSA-N 1 0 377.554 3.530 20 30 GHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000330083713 862561634 /nfs/dbraw/zinc/56/16/34/862561634.db2.gz BOGYIKVUFARXCN-FUHWJXTLSA-N 1 0 397.313 3.697 20 30 GHEDRO Cc1cn2c(n1)[C@@H](CNC([O-])=[NH+]CCc1ccc(Br)s1)CCC2 ZINC000328662413 854494376 /nfs/dbraw/zinc/49/43/76/854494376.db2.gz XIWCVQCSSISBLH-GFCCVEGCSA-N 1 0 397.342 3.639 20 30 GHEDRO CC[C@H](C)n1ncc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1C ZINC000330098060 862572100 /nfs/dbraw/zinc/57/21/00/862572100.db2.gz BKBAOAWFZCXQAY-HNNXBMFYSA-N 1 0 379.574 3.850 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccnn3C)C2)c(C)c1 ZINC000328738185 854522796 /nfs/dbraw/zinc/52/27/96/854522796.db2.gz MABRYYOACMKWPJ-IRXDYDNUSA-N 1 0 383.496 3.807 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000572494309 854524471 /nfs/dbraw/zinc/52/44/71/854524471.db2.gz QVEJXKCUIIHDLE-SFHVURJKSA-N 1 0 375.582 3.602 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000328732426 854540557 /nfs/dbraw/zinc/54/05/57/854540557.db2.gz JBMSSEQBRSGHFH-SRABZTEZSA-N 1 0 377.554 3.871 20 30 GHEDRO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C(F)F ZINC000328814933 854546666 /nfs/dbraw/zinc/54/66/66/854546666.db2.gz CGHRMBLYTDFNKT-WMLDXEAASA-N 1 0 395.498 3.971 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c2ccccc2)CC1 ZINC000328854792 854579304 /nfs/dbraw/zinc/57/93/04/854579304.db2.gz CLGFRQBQGLLMPD-NHCUHLMSSA-N 1 0 395.551 3.976 20 30 GHEDRO Cc1cnn(-c2ccc(C)cc2NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000328868621 854590530 /nfs/dbraw/zinc/59/05/30/854590530.db2.gz OVTPNGRCOXZRNT-LJQANCHMSA-N 1 0 381.524 3.698 20 30 GHEDRO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000328917049 854621413 /nfs/dbraw/zinc/62/14/13/854621413.db2.gz KLVYYOKJLGYSQP-FSSWDIPSSA-N 1 0 391.515 3.593 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000458907393 854649180 /nfs/dbraw/zinc/64/91/80/854649180.db2.gz WRYXWVKMZZKOTM-IBGZPJMESA-N 1 0 386.496 3.521 20 30 GHEDRO CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000589079571 854676202 /nfs/dbraw/zinc/67/62/02/854676202.db2.gz JGUXTCGJGFCTDY-OAQYLSRUSA-N 1 0 379.529 3.792 20 30 GHEDRO COc1cc(Br)cc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000330552364 854691631 /nfs/dbraw/zinc/69/16/31/854691631.db2.gz FXCVPRXIOONOJM-UHFFFAOYSA-N 1 0 384.318 3.904 20 30 GHEDRO C[NH+](C)CCN(Cc1cscc1Br)Cc1ccc(C#N)cc1 ZINC000589194550 854741009 /nfs/dbraw/zinc/74/10/09/854741009.db2.gz OVFYIKHOEAXPRZ-UHFFFAOYSA-N 1 0 378.339 3.946 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000112543014 854762819 /nfs/dbraw/zinc/76/28/19/854762819.db2.gz GOBHCBNYWFLKIS-DLBZAZTESA-N 1 0 383.467 3.816 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CCSC1 ZINC000331111939 854808263 /nfs/dbraw/zinc/80/82/63/854808263.db2.gz ITFSRBDXABIACH-IBGZPJMESA-N 1 0 381.590 3.699 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000056663313 854843700 /nfs/dbraw/zinc/84/37/00/854843700.db2.gz FIYKSEQASBSYTA-CQSZACIVSA-N 1 0 384.505 3.587 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCC3(CCOCC3)C2)ccc1Cl ZINC000572538298 854867911 /nfs/dbraw/zinc/86/79/11/854867911.db2.gz VEQSVOYKADSTTJ-UHFFFAOYSA-N 1 0 389.927 3.788 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000482020844 862615110 /nfs/dbraw/zinc/61/51/10/862615110.db2.gz QJPGSOVZHZUSLJ-DHIUTWEWSA-N 1 0 392.499 3.968 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000441447711 854914019 /nfs/dbraw/zinc/91/40/19/854914019.db2.gz JQMZRAGBESRIIX-JOCHJYFZSA-N 1 0 399.535 3.756 20 30 GHEDRO COCc1cccc2sc(=NC(=O)N3CC[NH+](C4CCCCC4)CC3)[nH]c21 ZINC000330164120 862627289 /nfs/dbraw/zinc/62/72/89/862627289.db2.gz VSRMZDYXRILHSA-UHFFFAOYSA-N 1 0 388.537 3.939 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@](C)(CCC)C1 ZINC000669335033 855024600 /nfs/dbraw/zinc/02/46/00/855024600.db2.gz ONHOAGVPSQWIFH-XQBPLPMBSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC2(C1)CCCCC2 ZINC000669334545 855030108 /nfs/dbraw/zinc/03/01/08/855030108.db2.gz HZWZZZBXEZHRLW-MOPGFXCFSA-N 1 0 385.556 3.551 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045611522 855035410 /nfs/dbraw/zinc/03/54/10/855035410.db2.gz UMUIDWUYPWXEAH-UHFFFAOYSA-N 1 0 381.907 3.655 20 30 GHEDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000273040607 855041653 /nfs/dbraw/zinc/04/16/53/855041653.db2.gz WQWJJJHTFWZWQU-HNNXBMFYSA-N 1 0 385.471 3.694 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CC(=C)C ZINC000669335828 855044555 /nfs/dbraw/zinc/04/45/55/855044555.db2.gz YNCMIEZRGSSTDG-MJGOQNOKSA-N 1 0 399.564 3.644 20 30 GHEDRO C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000669339114 855101053 /nfs/dbraw/zinc/10/10/53/855101053.db2.gz HMIVKXGPIUWWKN-UHFFFAOYSA-N 1 0 397.571 3.583 20 30 GHEDRO Cc1c(Cl)cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C(C)C)c1C#N ZINC000273289584 855161130 /nfs/dbraw/zinc/16/11/30/855161130.db2.gz FLFJCRAQGNXDFW-GFCCVEGCSA-N 1 0 376.917 3.706 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168626743 855184511 /nfs/dbraw/zinc/18/45/11/855184511.db2.gz YOYKEGOLQTYEQY-PZJWPPBQSA-N 1 0 388.508 3.540 20 30 GHEDRO N#Cc1cscc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000590092859 855294589 /nfs/dbraw/zinc/29/45/89/855294589.db2.gz YSQGTWCSKQKEKQ-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000441491605 855365039 /nfs/dbraw/zinc/36/50/39/855365039.db2.gz YJMWLOQPPRVWAJ-MOXGXCLJSA-N 1 0 386.540 3.605 20 30 GHEDRO N#CC1(CC(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)CC1 ZINC000590320665 855373552 /nfs/dbraw/zinc/37/35/52/855373552.db2.gz GVZOMOXJWLTZNC-UHFFFAOYSA-N 1 0 388.515 3.684 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000441490178 855376116 /nfs/dbraw/zinc/37/61/16/855376116.db2.gz KSWKAESMDONOEZ-GOSISDBHSA-N 1 0 387.915 3.713 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000465623109 855408959 /nfs/dbraw/zinc/40/89/59/855408959.db2.gz GQTZKPCAINASFP-YADHBBJMSA-N 1 0 376.504 3.730 20 30 GHEDRO CC(C)(C)C[C@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000330230509 862678835 /nfs/dbraw/zinc/67/88/35/862678835.db2.gz WNZDKIJHYOOLAI-HXUWFJFHSA-N 1 0 387.568 3.958 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000465644001 855487849 /nfs/dbraw/zinc/48/78/49/855487849.db2.gz XVEBCBKLXJIDQA-YADHBBJMSA-N 1 0 376.504 3.730 20 30 GHEDRO Cc1cccc(OCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000107602870 855493241 /nfs/dbraw/zinc/49/32/41/855493241.db2.gz XQWNAXPDYYFBGU-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO N#C[C@]1(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC12CCCC2 ZINC000590723595 855545650 /nfs/dbraw/zinc/54/56/50/855545650.db2.gz OODMDQPRMZOWLL-BLRYILKCSA-N 1 0 377.532 3.877 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1C#N ZINC000590756116 855565070 /nfs/dbraw/zinc/56/50/70/855565070.db2.gz GMXWWHUYXKJPLF-UIFIKXQLSA-N 1 0 398.551 3.823 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000590816846 855619382 /nfs/dbraw/zinc/61/93/82/855619382.db2.gz SBFLZZRKZPOYEK-WFMNFSIZSA-N 1 0 380.536 3.669 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)NC3CC[NH+](C4CCC4)CC3)c2)c1 ZINC000590883679 855644594 /nfs/dbraw/zinc/64/45/94/855644594.db2.gz VGMRHHRUJNKECA-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2ccc(C#N)cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000301296353 855657002 /nfs/dbraw/zinc/65/70/02/855657002.db2.gz SDWOHFXPXHTCPZ-MRXNPFEDSA-N 1 0 380.448 3.778 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000590925588 855657132 /nfs/dbraw/zinc/65/71/32/855657132.db2.gz KUTMPXFAQFUTLU-OAQYLSRUSA-N 1 0 380.467 3.724 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2snc(C)c2C#N)[NH+]2CCCCC2)cc1 ZINC000590965579 855677607 /nfs/dbraw/zinc/67/76/07/855677607.db2.gz CKTYIFFVUDBSHK-GOSISDBHSA-N 1 0 399.520 3.681 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330275861 862713018 /nfs/dbraw/zinc/71/30/18/862713018.db2.gz MCDZLVFCPXKBJI-HBFSDRIKSA-N 1 0 387.572 3.997 20 30 GHEDRO COc1ccc([C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000301630560 855731203 /nfs/dbraw/zinc/73/12/03/855731203.db2.gz IVLOXVNZSFDIRP-GOSISDBHSA-N 1 0 381.436 3.509 20 30 GHEDRO N#Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000301691396 855742809 /nfs/dbraw/zinc/74/28/09/855742809.db2.gz YTWPETOGSPLHRE-OAHLLOKOSA-N 1 0 391.353 3.567 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(N3CC[C@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000301809829 855761488 /nfs/dbraw/zinc/76/14/88/855761488.db2.gz GOUZZOXFVWFYLS-FQEVSTJZSA-N 1 0 378.520 3.805 20 30 GHEDRO N#Cc1ccc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000301875077 855775203 /nfs/dbraw/zinc/77/52/03/855775203.db2.gz MFONTISZJJTOGI-ZWKOTPCHSA-N 1 0 375.394 3.624 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCC[C@H](CO)C3)ncn2)cc1 ZINC000301956196 855787782 /nfs/dbraw/zinc/78/77/82/855787782.db2.gz LNVBKKVAAAXFTF-IBGZPJMESA-N 1 0 399.498 3.836 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000302058396 855808374 /nfs/dbraw/zinc/80/83/74/855808374.db2.gz RSHVLOJQOOLQQF-SFHVURJKSA-N 1 0 375.394 3.756 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000591284620 855883839 /nfs/dbraw/zinc/88/38/39/855883839.db2.gz OQKFLAOVAZGEKE-QGZVFWFLSA-N 1 0 380.448 3.623 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591284625 855884230 /nfs/dbraw/zinc/88/42/30/855884230.db2.gz SBICOPHCGPESEP-APWZRJJASA-N 1 0 392.459 3.575 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(CC(F)F)CC3)c2)c1 ZINC000057978081 855901956 /nfs/dbraw/zinc/90/19/56/855901956.db2.gz QHDWHISGROBKHE-UHFFFAOYSA-N 1 0 385.458 3.956 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@@H+](C3CCCC3)CC2)c1C ZINC000172580327 855958624 /nfs/dbraw/zinc/95/86/24/855958624.db2.gz RHIDFQLTWMANSF-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000760831617 855999016 /nfs/dbraw/zinc/99/90/16/855999016.db2.gz QVHMHTQWMJURBT-QHCPKHFHSA-N 1 0 389.499 3.593 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1C#N ZINC000249815819 855999166 /nfs/dbraw/zinc/99/91/66/855999166.db2.gz KOYUQRXYZILBSY-BXTJHSDWSA-N 1 0 382.508 3.971 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000108859606 856042401 /nfs/dbraw/zinc/04/24/01/856042401.db2.gz YROZVWURYAHQHN-FGTMMUONSA-N 1 0 395.503 3.826 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(CC#N)CC2)C[C@H]1C(F)(F)F ZINC001168562349 856053517 /nfs/dbraw/zinc/05/35/17/856053517.db2.gz YNLJDULWISFQMS-GJZGRUSLSA-N 1 0 375.435 3.942 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(-c4cccs4)on3)CC2)c1 ZINC000593881896 862761592 /nfs/dbraw/zinc/76/15/92/862761592.db2.gz FEKRXSXGTLLRSY-UHFFFAOYSA-N 1 0 392.484 3.669 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000579586389 856148186 /nfs/dbraw/zinc/14/81/86/856148186.db2.gz MWEVWXWMPXTFBS-HKUYNNGSSA-N 1 0 395.551 3.929 20 30 GHEDRO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1CC=CCC1 ZINC000485136730 856149606 /nfs/dbraw/zinc/14/96/06/856149606.db2.gz UAMVNTCRYMYHGI-SFHVURJKSA-N 1 0 389.927 3.891 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](Cc3ccncc3)c3cccs3)CC2)nc1 ZINC000591654093 856209016 /nfs/dbraw/zinc/20/90/16/856209016.db2.gz YBHXJHUPVRYIBM-HXUWFJFHSA-N 1 0 389.528 3.952 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(OC3CCCC3)cc2)cc1 ZINC000591730889 856233647 /nfs/dbraw/zinc/23/36/47/856233647.db2.gz VLHZKDFHJZRYAG-HXUWFJFHSA-N 1 0 380.488 3.604 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000171728589 856244096 /nfs/dbraw/zinc/24/40/96/856244096.db2.gz KRJKRGNWIOYTDR-GOSISDBHSA-N 1 0 379.451 3.615 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)c1ccco1 ZINC000109302401 856273128 /nfs/dbraw/zinc/27/31/28/856273128.db2.gz RWQAAURGCLPLOP-GHTZIAJQSA-N 1 0 383.492 3.754 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280842124 856301647 /nfs/dbraw/zinc/30/16/47/856301647.db2.gz LXMKPURVYYJBJC-FZKQIMNGSA-N 1 0 391.924 3.922 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000171945083 856313155 /nfs/dbraw/zinc/31/31/55/856313155.db2.gz DZPSWINXMWBFOZ-UXHICEINSA-N 1 0 383.442 3.530 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3ccc4ccccc4n3)CC2)c1 ZINC000593882676 862785894 /nfs/dbraw/zinc/78/58/94/862785894.db2.gz JWGFDVFRKPRICR-UHFFFAOYSA-N 1 0 398.510 3.820 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000591810756 856348856 /nfs/dbraw/zinc/34/88/56/856348856.db2.gz JBMGNPMBMYRUNG-XUZZJYLKSA-N 1 0 397.515 3.627 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)NC3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000172200023 856366778 /nfs/dbraw/zinc/36/67/78/856366778.db2.gz NXMSLPHELBFJHQ-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000110306259 856495457 /nfs/dbraw/zinc/49/54/57/856495457.db2.gz OHFUFZFEJVPGLF-HXUWFJFHSA-N 1 0 391.471 3.518 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C#N)cc1F ZINC000172622415 856506202 /nfs/dbraw/zinc/50/62/02/856506202.db2.gz BUICUUFEEWFZSP-KRWDZBQOSA-N 1 0 380.467 3.503 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000281029729 862811902 /nfs/dbraw/zinc/81/19/02/862811902.db2.gz BXMBVQDBIMRMHP-UHFFFAOYSA-N 1 0 389.337 3.500 20 30 GHEDRO C[C@@H]1CN(Cc2csc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)n2)C[C@H](C)O1 ZINC000330308225 862824183 /nfs/dbraw/zinc/82/41/83/862824183.db2.gz SQCLDINQTZRQLT-UXLLHSPISA-N 1 0 380.558 3.605 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139525 856690085 /nfs/dbraw/zinc/69/00/85/856690085.db2.gz LGQSIDTWXKWDSG-JOCHJYFZSA-N 1 0 377.488 3.550 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)o1 ZINC000172419069 856761703 /nfs/dbraw/zinc/76/17/03/856761703.db2.gz FPQQZWXKNVIFJN-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO N#CC[C@@]1(O)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000592522449 856918910 /nfs/dbraw/zinc/91/89/10/856918910.db2.gz CIZONOIDBAQMHZ-JOCHJYFZSA-N 1 0 376.435 3.529 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1 ZINC000760990353 856991360 /nfs/dbraw/zinc/99/13/60/856991360.db2.gz NRLCOEVZVZCACU-BKUYFWCQSA-N 1 0 394.924 3.914 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000245593369 856991873 /nfs/dbraw/zinc/99/18/73/856991873.db2.gz QOYVCXJBVKCIRE-BEFAXECRSA-N 1 0 383.517 3.544 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1C#N ZINC000173560706 856995327 /nfs/dbraw/zinc/99/53/27/856995327.db2.gz MSMHLTSGPWMSHR-XLIONFOSSA-N 1 0 380.492 3.821 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000592772602 857060441 /nfs/dbraw/zinc/06/04/41/857060441.db2.gz MHRARZNAHQVPPZ-WTIAFYNJSA-N 1 0 375.516 3.786 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245665115 857071324 /nfs/dbraw/zinc/07/13/24/857071324.db2.gz QUOAQUXPHJBFGQ-VXKWHMMOSA-N 1 0 376.504 3.925 20 30 GHEDRO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)nc1 ZINC000593040955 857195638 /nfs/dbraw/zinc/19/56/38/857195638.db2.gz KGJCBBOBTULFBS-SFHVURJKSA-N 1 0 392.503 3.605 20 30 GHEDRO COc1ccc(C2CC[NH+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)nc1 ZINC000593042057 857195827 /nfs/dbraw/zinc/19/58/27/857195827.db2.gz XBLXUJGQJFGSCQ-FRIYVGAWSA-N 1 0 398.551 3.589 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(C)(C)c1ccc(C#N)cc1)C1CC1 ZINC001128243279 857365279 /nfs/dbraw/zinc/36/52/79/857365279.db2.gz KEHBUOWQDYTWHB-JOCHJYFZSA-N 1 0 375.516 3.863 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000592401570 857375238 /nfs/dbraw/zinc/37/52/38/857375238.db2.gz YSHWCJZOWTUROJ-RDTXWAMCSA-N 1 0 389.421 3.833 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C#N)cc1 ZINC000486153226 857483016 /nfs/dbraw/zinc/48/30/16/857483016.db2.gz PPZIHHDSNBQOBF-UHFFFAOYSA-N 1 0 387.936 3.894 20 30 GHEDRO Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000281264416 862923627 /nfs/dbraw/zinc/92/36/27/862923627.db2.gz BGIBVZBPAKEEGF-UHFFFAOYSA-N 1 0 388.903 3.533 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000593555461 857625164 /nfs/dbraw/zinc/62/51/64/857625164.db2.gz BHOCGPVSLOBUBZ-UHFFFAOYSA-N 1 0 397.544 3.779 20 30 GHEDRO C=CCCC[C@H](C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000907379333 857625217 /nfs/dbraw/zinc/62/52/17/857625217.db2.gz QSFMTRAPVNYPRN-ZRBLBEILSA-N 1 0 383.580 3.801 20 30 GHEDRO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cc2cnc3c(C#N)cnn3c2)C(C)(C)O1 ZINC000592507837 857628040 /nfs/dbraw/zinc/62/80/40/857628040.db2.gz CKZYSXFRCJCWOQ-HXUWFJFHSA-N 1 0 389.503 3.949 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1C#N ZINC000058861196 857664146 /nfs/dbraw/zinc/66/41/46/857664146.db2.gz XRRHZNOMFDOJQF-UHFFFAOYSA-N 1 0 386.565 3.745 20 30 GHEDRO CCC[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593885357 862937960 /nfs/dbraw/zinc/93/79/60/862937960.db2.gz DBHCLTLGSJXVGM-NRFANRHFSA-N 1 0 376.504 3.618 20 30 GHEDRO CCO[C@@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000255337546 857718347 /nfs/dbraw/zinc/71/83/47/857718347.db2.gz VVIWRBFWXKOJSN-HUUCEWRRSA-N 1 0 375.538 3.717 20 30 GHEDRO CC(C)(C)OC(=O)CCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000594000910 857825449 /nfs/dbraw/zinc/82/54/49/857825449.db2.gz KSQALFHVHQCVQL-UHFFFAOYSA-N 1 0 399.535 3.563 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000593973641 857837286 /nfs/dbraw/zinc/83/72/86/857837286.db2.gz QERATHJAFONFHY-MRXNPFEDSA-N 1 0 385.458 3.605 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCCCO1 ZINC000594042678 857850818 /nfs/dbraw/zinc/85/08/18/857850818.db2.gz NATPATOVKQADIJ-BQFCYCMXSA-N 1 0 375.538 3.957 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)CC3)n2C2CC2)c1 ZINC000574460520 857900667 /nfs/dbraw/zinc/90/06/67/857900667.db2.gz SQXHIKKBXYENHP-IBGZPJMESA-N 1 0 376.508 3.606 20 30 GHEDRO C=C(C)C[NH+]1CCC(N2C(=O)N[C@@](CC)(c3ccc(Cl)cc3)C2=O)CC1 ZINC000804161984 857909292 /nfs/dbraw/zinc/90/92/92/857909292.db2.gz SBGGTGCIIJRFRD-FQEVSTJZSA-N 1 0 375.900 3.538 20 30 GHEDRO C=C(C)C[NH+]1CCC(N2C(=O)N[C@](CC)(c3ccc(Cl)cc3)C2=O)CC1 ZINC000804161985 857909492 /nfs/dbraw/zinc/90/94/92/857909492.db2.gz SBGGTGCIIJRFRD-HXUWFJFHSA-N 1 0 375.900 3.538 20 30 GHEDRO C[C@@]1(C#N)CCCN(Cn2nc(CN3CCCC3)n(-c3ccccc3)c2=S)C1 ZINC000784015162 857977157 /nfs/dbraw/zinc/97/71/57/857977157.db2.gz VMEDCZNUOKSQNV-NRFANRHFSA-N 1 0 396.564 3.582 20 30 GHEDRO CN(Cc1ccc(C#N)cc1F)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000114461206 858043872 /nfs/dbraw/zinc/04/38/72/858043872.db2.gz URYVCEMOKUQYIJ-INIZCTEOSA-N 1 0 382.357 3.588 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529212 858047534 /nfs/dbraw/zinc/04/75/34/858047534.db2.gz VHJRKUXHTIGKCW-UHFFFAOYSA-N 1 0 387.487 3.821 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000521482353 858053116 /nfs/dbraw/zinc/05/31/16/858053116.db2.gz MVIBFFWMZVYBDW-MBSDFSHPSA-N 1 0 389.499 3.836 20 30 GHEDRO CCC[C@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001127162176 858145117 /nfs/dbraw/zinc/14/51/17/858145117.db2.gz OGVUZWFUPZUULA-CQOQZXRMSA-N 1 0 375.516 3.885 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000158061631 858157023 /nfs/dbraw/zinc/15/70/23/858157023.db2.gz HJOKYPOIDFXFDB-MOPGFXCFSA-N 1 0 377.488 3.820 20 30 GHEDRO C=CCOc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000046623447 858168417 /nfs/dbraw/zinc/16/84/17/858168417.db2.gz SHAMMLWOKNXDHK-KDURUIRLSA-N 1 0 394.515 3.791 20 30 GHEDRO COc1cccc([C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2Cl)c1 ZINC000594433075 858175161 /nfs/dbraw/zinc/17/51/61/858175161.db2.gz KSZKTLNLWDZKAT-WOJBJXKFSA-N 1 0 385.895 3.965 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000594449993 858179786 /nfs/dbraw/zinc/17/97/86/858179786.db2.gz QQNKJVYXETVPMZ-ROUUACIJSA-N 1 0 392.341 3.784 20 30 GHEDRO CC(C)N1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594447543 858179918 /nfs/dbraw/zinc/17/99/18/858179918.db2.gz YJJOJKSEIZXDAY-CEXWTWQISA-N 1 0 394.922 3.530 20 30 GHEDRO Cc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)n(-c2ccccc2C(F)(F)F)n1 ZINC000594425416 858185141 /nfs/dbraw/zinc/18/51/41/858185141.db2.gz IRUFLPZTVZWUIQ-AWEZNQCLSA-N 1 0 379.386 3.549 20 30 GHEDRO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000594518837 858207736 /nfs/dbraw/zinc/20/77/36/858207736.db2.gz LUVYJBSPKRSKCO-IBGZPJMESA-N 1 0 382.508 3.662 20 30 GHEDRO COc1ccc(-c2cc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)on2)cc1 ZINC000594977519 858337367 /nfs/dbraw/zinc/33/73/67/858337367.db2.gz SNNKLXOSMAISTA-UHFFFAOYSA-N 1 0 388.471 3.980 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](CO)Cc3ccccc3Br)cc2)CC1 ZINC000594940186 858340740 /nfs/dbraw/zinc/34/07/40/858340740.db2.gz WUDRIXAWMIIMEE-KRWDZBQOSA-N 1 0 399.332 3.945 20 30 GHEDRO COC[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCOCC1 ZINC000594957708 858346169 /nfs/dbraw/zinc/34/61/69/858346169.db2.gz UFHKXYHTOAJYFZ-HSZRJFAPSA-N 1 0 380.488 3.668 20 30 GHEDRO C=CCCSCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000594959908 858346740 /nfs/dbraw/zinc/34/67/40/858346740.db2.gz FKWVALJIWAMELY-UHFFFAOYSA-N 1 0 385.371 3.685 20 30 GHEDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000594963858 858347797 /nfs/dbraw/zinc/34/77/97/858347797.db2.gz KOYSUWQZZQJOSV-ZDXQCDESSA-N 1 0 394.515 3.793 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595012050 858350500 /nfs/dbraw/zinc/35/05/00/858350500.db2.gz MXZHXDGZNVESLR-QGZVFWFLSA-N 1 0 382.289 3.519 20 30 GHEDRO C=CCn1c(=O)c2ccccc2nc1S[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000670370408 858361112 /nfs/dbraw/zinc/36/11/12/858361112.db2.gz JIVIMHKZKXIZBB-SFHVURJKSA-N 1 0 377.513 3.949 20 30 GHEDRO C=CCCSCC[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000595059168 858366118 /nfs/dbraw/zinc/36/61/18/858366118.db2.gz MBHKFJUNNQZPHL-HNNXBMFYSA-N 1 0 376.975 3.598 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OC(F)(F)F ZINC000595232014 858447501 /nfs/dbraw/zinc/44/75/01/858447501.db2.gz OGPQJWGBTKKAQE-AWEZNQCLSA-N 1 0 396.413 3.700 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)cc1Cl ZINC000522063643 858586427 /nfs/dbraw/zinc/58/64/27/858586427.db2.gz VCWUECLYLWMPEK-UHFFFAOYSA-N 1 0 376.859 3.954 20 30 GHEDRO N#CC1(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000595597926 858627591 /nfs/dbraw/zinc/62/75/91/858627591.db2.gz CQOIJRNXFDGNPT-UHFFFAOYSA-N 1 0 386.462 3.565 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000595602419 858628248 /nfs/dbraw/zinc/62/82/48/858628248.db2.gz CCIWCKLSLCARNR-IBGZPJMESA-N 1 0 377.492 3.775 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000595693309 858649793 /nfs/dbraw/zinc/64/97/93/858649793.db2.gz MCPQDUNVFSZEHN-AUSIDOKSSA-N 1 0 390.531 3.701 20 30 GHEDRO CCn1c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)nc2cc(F)ccc21 ZINC000595764206 858662363 /nfs/dbraw/zinc/66/23/63/858662363.db2.gz HIPNBTYTPYJIOH-UHFFFAOYSA-N 1 0 378.451 3.862 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(OCC(F)(F)F)nc3)CCOCC2)c1 ZINC000595770244 858664708 /nfs/dbraw/zinc/66/47/08/858664708.db2.gz WRJVEIVOIKXMFL-UHFFFAOYSA-N 1 0 391.393 3.690 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595791529 858677348 /nfs/dbraw/zinc/67/73/48/858677348.db2.gz VKPJOTZDDMEJNZ-DENIHFKCSA-N 1 0 399.535 3.613 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595786933 858688154 /nfs/dbraw/zinc/68/81/54/858688154.db2.gz CPPYZQQTUBLCJY-ZVDOUQERSA-N 1 0 399.535 3.611 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N3Cc4cccc(C#N)c4C3)c(C)c2)CC1 ZINC000593135066 858744324 /nfs/dbraw/zinc/74/43/24/858744324.db2.gz HUMBGDAWISPEGG-UHFFFAOYSA-N 1 0 389.503 3.556 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)NCC2(C#N)CCCCC2)[NH+]2CCCC2)c1 ZINC000596098462 858764377 /nfs/dbraw/zinc/76/43/77/858764377.db2.gz OCWHJYPYPZUUCK-HXUWFJFHSA-N 1 0 384.524 3.605 20 30 GHEDRO CC(C)(NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000596088036 858779942 /nfs/dbraw/zinc/77/99/42/858779942.db2.gz LKDDNMWWEQFPKC-NRFANRHFSA-N 1 0 376.504 3.930 20 30 GHEDRO COc1cc(C)ccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593151789 858812150 /nfs/dbraw/zinc/81/21/50/858812150.db2.gz ZKHKOIPJKFIFRO-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000596309388 858853560 /nfs/dbraw/zinc/85/35/60/858853560.db2.gz WBGHKJXXVGQYKM-CRAIPNDOSA-N 1 0 394.441 3.615 20 30 GHEDRO Cn1ccc2cccc(NC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c21 ZINC000593187683 858920413 /nfs/dbraw/zinc/92/04/13/858920413.db2.gz QMTVYVIMKKCCIQ-UHFFFAOYSA-N 1 0 387.487 3.836 20 30 GHEDRO CSC[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000429297776 858961137 /nfs/dbraw/zinc/96/11/37/858961137.db2.gz ZZJJJXWHXZKIJT-SFHVURJKSA-N 1 0 396.560 3.979 20 30 GHEDRO C#CCN(C(=O)N[C@H](CC(F)(F)F)c1ccccc1C)C1CC[NH+](C)CC1 ZINC000922215580 858983769 /nfs/dbraw/zinc/98/37/69/858983769.db2.gz HEAYAIOVWKPAHY-GOSISDBHSA-N 1 0 381.442 3.728 20 30 GHEDRO C[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO[C@@H]1C1CC1 ZINC000543239477 859003128 /nfs/dbraw/zinc/00/31/28/859003128.db2.gz OHGHTSQIHMBWAW-TZIWHRDSSA-N 1 0 387.549 3.764 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596736483 859034439 /nfs/dbraw/zinc/03/44/39/859034439.db2.gz WXDNIYCZDMVTAZ-SJORKVTESA-N 1 0 390.553 3.655 20 30 GHEDRO Cc1cccc(C)c1CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000482976103 859037296 /nfs/dbraw/zinc/03/72/96/859037296.db2.gz DBNATGRLUYLUJH-UHFFFAOYSA-N 1 0 390.531 3.635 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000466672007 859050743 /nfs/dbraw/zinc/05/07/43/859050743.db2.gz MXMRLDIXTPHTQA-LJQANCHMSA-N 1 0 388.556 3.852 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCn2cccn2)cc1OCC ZINC000537626987 881378528 /nfs/dbraw/zinc/37/85/28/881378528.db2.gz JTHLJXIJLSHXDE-UHFFFAOYSA-N 1 0 394.313 3.741 20 30 GHEDRO CCC(C#N)(CC)C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923157555 859072504 /nfs/dbraw/zinc/07/25/04/859072504.db2.gz PUVTYSLZLJVMOE-FQEVSTJZSA-N 1 0 383.536 3.646 20 30 GHEDRO C#CCCCCCC(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923171727 859090222 /nfs/dbraw/zinc/09/02/22/859090222.db2.gz IYAZZVVRSANAJJ-QFIPXVFZSA-N 1 0 382.548 3.900 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H](C)C2)c1C#N ZINC000443643701 859142043 /nfs/dbraw/zinc/14/20/43/859142043.db2.gz VZMADHDTWBGJQB-JKSUJKDBSA-N 1 0 382.508 3.924 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCN(c4ccsc4C#N)CC3)ccc21 ZINC000596926598 859179020 /nfs/dbraw/zinc/17/90/20/859179020.db2.gz STZQORSREXVVPT-SFHVURJKSA-N 1 0 395.532 3.523 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(C#N)CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000601390777 859236902 /nfs/dbraw/zinc/23/69/02/859236902.db2.gz HSICLDNUCVWNNR-PBHICJAKSA-N 1 0 375.875 3.672 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000161662461 859263124 /nfs/dbraw/zinc/26/31/24/859263124.db2.gz IOOZJRBIBXXBQR-MRXNPFEDSA-N 1 0 380.492 3.599 20 30 GHEDRO COC(=O)c1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1Cl ZINC000597156750 859320445 /nfs/dbraw/zinc/32/04/45/859320445.db2.gz JUAJMXIYAHLCQO-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO CC[N@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000060469476 859323806 /nfs/dbraw/zinc/32/38/06/859323806.db2.gz ZFZGVZVZSHKULT-HZPDHXFCSA-N 1 0 385.458 3.967 20 30 GHEDRO CC(C)(C)c1ccc(OCCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000060481458 859332310 /nfs/dbraw/zinc/33/23/10/859332310.db2.gz VMJPUUDUBWMARW-UHFFFAOYSA-N 1 0 378.520 3.842 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cc4ccccc4o3)CC2)c1 ZINC000593312716 859365439 /nfs/dbraw/zinc/36/54/39/859365439.db2.gz HIVLWZXDDFWUKM-UHFFFAOYSA-N 1 0 388.471 3.768 20 30 GHEDRO CC1(C)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1c1ccco1 ZINC000601620853 859382371 /nfs/dbraw/zinc/38/23/71/859382371.db2.gz QCRJYAMUXZPILS-OAQYLSRUSA-N 1 0 392.503 3.908 20 30 GHEDRO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000597258821 859383451 /nfs/dbraw/zinc/38/34/51/859383451.db2.gz SHRBTSOHLXQSOK-UHFFFAOYSA-N 1 0 388.519 3.782 20 30 GHEDRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)s1 ZINC000597253177 859398893 /nfs/dbraw/zinc/39/88/93/859398893.db2.gz LABDMEKXPGBUJR-KRWDZBQOSA-N 1 0 399.516 3.992 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3Cc4ccc(Cl)cc43)CC2)c1 ZINC000601660757 859430139 /nfs/dbraw/zinc/43/01/39/859430139.db2.gz WLONMZSUIRWWIY-OAQYLSRUSA-N 1 0 379.891 3.632 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3ccc4c(c3)CCCC4)CC2)c1 ZINC000593353500 859547758 /nfs/dbraw/zinc/54/77/58/859547758.db2.gz SIMOKKIASWXIOW-UHFFFAOYSA-N 1 0 387.527 3.760 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2Cc3cccc(C#N)c3C2)[C@H]1c1cccs1 ZINC000593353660 859548860 /nfs/dbraw/zinc/54/88/60/859548860.db2.gz MQVSZNJDLHAWRI-JXFKEZNVSA-N 1 0 380.517 3.728 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3c[nH]c4ccccc34)CC2)c1 ZINC000593353618 859549072 /nfs/dbraw/zinc/54/90/72/859549072.db2.gz UFQFHDIUNLWIAK-UHFFFAOYSA-N 1 0 386.499 3.753 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnc(-c4ccco4)s3)CC2)c1 ZINC000593354264 859552633 /nfs/dbraw/zinc/55/26/33/859552633.db2.gz NVQITKDCKOKSRB-UHFFFAOYSA-N 1 0 392.484 3.669 20 30 GHEDRO C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593358592 859560825 /nfs/dbraw/zinc/56/08/25/859560825.db2.gz JDIHCQIQCLUNIF-UPVQGACJSA-N 1 0 388.515 3.552 20 30 GHEDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000483727604 859583188 /nfs/dbraw/zinc/58/31/88/859583188.db2.gz PEFORAOZASPUJO-IAOVAPTHSA-N 1 0 375.538 3.763 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472756 859625530 /nfs/dbraw/zinc/62/55/30/859625530.db2.gz QABNPFFCLQLZBU-MOPGFXCFSA-N 1 0 395.551 3.805 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000114475614 859626824 /nfs/dbraw/zinc/62/68/24/859626824.db2.gz VYVILUWHPYAOGP-UHFFFAOYSA-N 1 0 388.581 3.685 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000611266683 859673750 /nfs/dbraw/zinc/67/37/50/859673750.db2.gz NTFMZPXGBCBZSD-SFHVURJKSA-N 1 0 384.483 3.795 20 30 GHEDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC[C@H](C#N)CCC#N)cc1 ZINC000601966359 859680233 /nfs/dbraw/zinc/68/02/33/859680233.db2.gz CVKZRPLMNFKMNN-NKKJXINNSA-N 1 0 388.515 3.696 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967108 859681435 /nfs/dbraw/zinc/68/14/35/859681435.db2.gz FNBHKEVTULQZEF-RYUDHWBXSA-N 1 0 397.306 3.592 20 30 GHEDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000597616066 859683442 /nfs/dbraw/zinc/68/34/42/859683442.db2.gz CJROAWOCDYDPAF-IFMALSPDSA-N 1 0 399.579 3.794 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000597641278 859703705 /nfs/dbraw/zinc/70/37/05/859703705.db2.gz PYPDHRKYDUACBV-HXUWFJFHSA-N 1 0 384.483 3.656 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000764992026 859720764 /nfs/dbraw/zinc/72/07/64/859720764.db2.gz UMLUQYPAXDVEAM-LJQANCHMSA-N 1 0 383.565 3.702 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1F ZINC000597679939 859722276 /nfs/dbraw/zinc/72/22/76/859722276.db2.gz KACUQRRKAMHKBP-UHFFFAOYSA-N 1 0 395.453 3.965 20 30 GHEDRO COc1ccc([C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000611390237 859740377 /nfs/dbraw/zinc/74/03/77/859740377.db2.gz LJCMEAOVJLAXCG-RPWUZVMVSA-N 1 0 391.515 3.607 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@@H](C[NH+]3CCCC3)C2)nc1-c1cccs1 ZINC000765025155 859749678 /nfs/dbraw/zinc/74/96/78/859749678.db2.gz IRJVPRNTHHUHHO-INIZCTEOSA-N 1 0 389.594 3.704 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611497876 859785639 /nfs/dbraw/zinc/78/56/39/859785639.db2.gz IIQCFOMFCGOOQH-LJQANCHMSA-N 1 0 393.441 3.605 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000611530482 859801918 /nfs/dbraw/zinc/80/19/18/859801918.db2.gz DCTDIHFCPBYTOZ-LJQANCHMSA-N 1 0 379.464 3.549 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000611530533 859802077 /nfs/dbraw/zinc/80/20/77/859802077.db2.gz OJDRXCBZEJFYRI-IBGZPJMESA-N 1 0 379.464 3.549 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(F)c4ccncc34)CC2)c1 ZINC000597817770 859828109 /nfs/dbraw/zinc/82/81/09/859828109.db2.gz ACSNCKZZCNMLRP-UHFFFAOYSA-N 1 0 388.446 3.640 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000895715911 859859198 /nfs/dbraw/zinc/85/91/98/859859198.db2.gz CVRDYUCXZCPPQL-OAQYLSRUSA-N 1 0 393.535 3.887 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466531186 859891062 /nfs/dbraw/zinc/89/10/62/859891062.db2.gz XHTGXKBKMRUROJ-WMZHIEFXSA-N 1 0 388.515 3.919 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2nc(C)c(SCC#N)s2)cc1 ZINC000895749146 859894917 /nfs/dbraw/zinc/89/49/17/859894917.db2.gz WYZNODXDXHMVRD-OAHLLOKOSA-N 1 0 390.534 3.754 20 30 GHEDRO COC(=O)CCC[NH+]1CCC(N=Nc2nc(Cl)c(Cl)cc2Cl)CC1 ZINC000727059187 859911250 /nfs/dbraw/zinc/91/12/50/859911250.db2.gz LWSCVAQWJJFJDJ-UHFFFAOYSA-N 1 0 393.702 3.859 20 30 GHEDRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccccc1Oc1ncccc1C#N ZINC000727075493 859915855 /nfs/dbraw/zinc/91/58/55/859915855.db2.gz GPEOMEDOQRMYEQ-UHFFFAOYSA-N 1 0 383.521 3.620 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000765360069 859927028 /nfs/dbraw/zinc/92/70/28/859927028.db2.gz RPBYHJJZLFOYHK-AUSIDOKSSA-N 1 0 395.572 3.671 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000602322009 859954282 /nfs/dbraw/zinc/95/42/82/859954282.db2.gz YGMOFUPXJDONHX-OAQYLSRUSA-N 1 0 398.551 3.708 20 30 GHEDRO COc1cc(C[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1C#N ZINC000552130015 859984554 /nfs/dbraw/zinc/98/45/54/859984554.db2.gz WOWBGIRORZAEIK-UHFFFAOYSA-N 1 0 378.259 3.992 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000060756580 859990376 /nfs/dbraw/zinc/99/03/76/859990376.db2.gz TTXGJNMYRUHNAB-UHFFFAOYSA-N 1 0 399.560 3.608 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000602526699 860099406 /nfs/dbraw/zinc/09/94/06/860099406.db2.gz NSRNOTOJILLMSU-KRWDZBQOSA-N 1 0 378.476 3.522 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508933367 860100050 /nfs/dbraw/zinc/10/00/50/860100050.db2.gz XYELREZEEGEZFE-HXUWFJFHSA-N 1 0 395.551 3.725 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000602554054 860107416 /nfs/dbraw/zinc/10/74/16/860107416.db2.gz ZATVWGSVCUOJJY-QFBILLFUSA-N 1 0 395.469 3.968 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1C(C)C ZINC000593516924 860134099 /nfs/dbraw/zinc/13/40/99/860134099.db2.gz QGJQIUAMNJLZPC-FCHUYYIVSA-N 1 0 382.552 3.845 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)CC1 ZINC001170387106 881503681 /nfs/dbraw/zinc/50/36/81/881503681.db2.gz QJAJWFLMPRCOJY-SBXGTEJRSA-N 1 0 389.499 3.830 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc([C@H](F)c3ccc(C(F)(F)F)cc3)no1)C2 ZINC000904116025 860144663 /nfs/dbraw/zinc/14/46/63/860144663.db2.gz GAMHTSZIJHXPGW-GODPOGMQSA-N 1 0 380.345 3.754 20 30 GHEDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092853966 860147706 /nfs/dbraw/zinc/14/77/06/860147706.db2.gz KEAAOUKSFMFGMQ-UHFFFAOYSA-N 1 0 396.447 3.740 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(COc3cccc(Cl)c3Cl)no1)C2 ZINC000904126744 860152286 /nfs/dbraw/zinc/15/22/86/860152286.db2.gz VFIZWJBDGQRLOU-GCULGPDHSA-N 1 0 379.247 3.562 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000474464769 860158718 /nfs/dbraw/zinc/15/87/18/860158718.db2.gz SUXBTTCKTWGFLD-UHFFFAOYSA-N 1 0 383.908 3.815 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000484634284 860185699 /nfs/dbraw/zinc/18/56/99/860185699.db2.gz GJCZJXUHQXLUFS-FCHUYYIVSA-N 1 0 398.528 3.620 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1OC ZINC000727734123 860207803 /nfs/dbraw/zinc/20/78/03/860207803.db2.gz HJBVAEAXMVHUDH-QXHGNLAOSA-N 1 0 384.520 3.750 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000329136327 860295474 /nfs/dbraw/zinc/29/54/74/860295474.db2.gz CRTHOOWNEUQHJK-UHFFFAOYSA-N 1 0 382.533 3.963 20 30 GHEDRO C=C(CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000484760822 860328505 /nfs/dbraw/zinc/32/85/05/860328505.db2.gz ITNMRBKJUQUCJH-UHFFFAOYSA-N 1 0 392.547 3.601 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000727980047 860348222 /nfs/dbraw/zinc/34/82/22/860348222.db2.gz CDSUNDACNZDGTG-HXUWFJFHSA-N 1 0 394.544 3.908 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000329434367 860358594 /nfs/dbraw/zinc/35/85/94/860358594.db2.gz LCNMYOCIONPHTB-DYESRHJHSA-N 1 0 376.460 3.908 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[C@@H]2C1 ZINC000329457367 860366263 /nfs/dbraw/zinc/36/62/63/860366263.db2.gz QPDQSUGIUULNDP-MGPUTAFESA-N 1 0 379.435 3.656 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000904381205 860397595 /nfs/dbraw/zinc/39/75/95/860397595.db2.gz LOOLWONNNDYVLC-PXNSSMCTSA-N 1 0 382.851 3.589 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000922675192 860462555 /nfs/dbraw/zinc/46/25/55/860462555.db2.gz BBVNYOOQVKIUDD-RBUKOAKNSA-N 1 0 381.442 3.612 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccnn3CCc3ccccc3)CC2)c1 ZINC000598648289 860480691 /nfs/dbraw/zinc/48/06/91/860480691.db2.gz FJDQHEKLTJGYLK-UHFFFAOYSA-N 1 0 399.542 3.752 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c(-c2ccccc2)n1 ZINC000922711781 860517923 /nfs/dbraw/zinc/51/79/23/860517923.db2.gz WPDUMKWNGREKGR-SFHVURJKSA-N 1 0 391.441 3.580 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000552425161 860526604 /nfs/dbraw/zinc/52/66/04/860526604.db2.gz HBOKVUCOWGZFRU-RPWUZVMVSA-N 1 0 392.499 3.547 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)s1 ZINC000921609800 860551366 /nfs/dbraw/zinc/55/13/66/860551366.db2.gz ULPLJZUVQFZEQE-UHFFFAOYSA-N 1 0 391.562 3.557 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000331260534 860572513 /nfs/dbraw/zinc/57/25/13/860572513.db2.gz AYBXRUJHJHZKTK-WFASDCNBSA-N 1 0 384.402 3.793 20 30 GHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000155723069 860586280 /nfs/dbraw/zinc/58/62/80/860586280.db2.gz QZUHFOOAZYWXTO-OAHLLOKOSA-N 1 0 389.425 3.510 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)CC1 ZINC001170380912 881555923 /nfs/dbraw/zinc/55/59/23/881555923.db2.gz BBVBPBYFOKHIFK-PWYHOHRJSA-N 1 0 399.538 3.996 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)CC1 ZINC001170381353 881557132 /nfs/dbraw/zinc/55/71/32/881557132.db2.gz LSOBCQCYNPJFGS-SKGAXEKPSA-N 1 0 386.543 3.849 20 30 GHEDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)n1 ZINC000922864940 860690262 /nfs/dbraw/zinc/69/02/62/860690262.db2.gz GNNICBGXUNHKJL-IRXDYDNUSA-N 1 0 384.480 3.749 20 30 GHEDRO Cc1cc(NC2CC[NH+](C3CCOCC3)CC2)n2c3ccccc3nc2c1C#N ZINC000603407963 860700021 /nfs/dbraw/zinc/70/00/21/860700021.db2.gz JVKJGIMGAPBTTP-UHFFFAOYSA-N 1 0 389.503 3.723 20 30 GHEDRO C/C=C\C[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000599093870 860792185 /nfs/dbraw/zinc/79/21/85/860792185.db2.gz XJWGMUQLTFKXIU-FFPCURRISA-N 1 0 380.536 3.910 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/CC2(C(=O)OC(C)(C)C)CCOCC2)c(O)c1 ZINC000843266437 860815899 /nfs/dbraw/zinc/81/58/99/860815899.db2.gz MDJXIRUCCUZZDN-HZHRSRAPSA-N 1 0 390.524 3.796 20 30 GHEDRO Cc1oc(NC(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c1C ZINC000156551277 860831689 /nfs/dbraw/zinc/83/16/89/860831689.db2.gz LRLVFWSVNYGVBM-UZLBHIALSA-N 1 0 394.519 3.692 20 30 GHEDRO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593692065 860884445 /nfs/dbraw/zinc/88/44/45/860884445.db2.gz XSBIYVCSUOYBTJ-UHFFFAOYSA-N 1 0 389.503 3.614 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(C(F)(F)F)c1 ZINC000599201640 860940243 /nfs/dbraw/zinc/94/02/43/860940243.db2.gz GIPREROJWRSQJR-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)CCOCC1 ZINC000599266298 860972031 /nfs/dbraw/zinc/97/20/31/860972031.db2.gz WINQHPLYYLBMHA-QGZVFWFLSA-N 1 0 382.426 3.741 20 30 GHEDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593719295 860979165 /nfs/dbraw/zinc/97/91/65/860979165.db2.gz BCWRWNSWBYXPHE-RBBKRZOGSA-N 1 0 377.536 3.572 20 30 GHEDRO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000156834801 860986054 /nfs/dbraw/zinc/98/60/54/860986054.db2.gz SKFLDJFIAYZNGW-SFHVURJKSA-N 1 0 387.487 3.554 20 30 GHEDRO Cc1noc(C2CCC([NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)CC2)n1 ZINC000593722945 861019348 /nfs/dbraw/zinc/01/93/48/861019348.db2.gz UJELLDBJIHZHNS-UHFFFAOYSA-N 1 0 379.508 3.530 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)CCOCC1 ZINC000599308829 861027137 /nfs/dbraw/zinc/02/71/37/861027137.db2.gz BRPODUSHQXKBNR-QGZVFWFLSA-N 1 0 396.453 3.956 20 30 GHEDRO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000329111481 861030439 /nfs/dbraw/zinc/03/04/39/861030439.db2.gz KBTPDRPULWNARQ-QUCCMNQESA-N 1 0 383.536 3.646 20 30 GHEDRO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000593723780 861039811 /nfs/dbraw/zinc/03/98/11/861039811.db2.gz YWSKTLNNUCZXOO-LJQANCHMSA-N 1 0 393.531 3.899 20 30 GHEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329148338 861067885 /nfs/dbraw/zinc/06/78/85/861067885.db2.gz PQODXTHTDYBPJQ-YJBOKZPZSA-N 1 0 375.538 3.727 20 30 GHEDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC(c2nccs2)CC1 ZINC000329152260 861074566 /nfs/dbraw/zinc/07/45/66/861074566.db2.gz SXQAUUDSUZZHID-UHFFFAOYSA-N 1 0 385.537 3.548 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000599344544 861079688 /nfs/dbraw/zinc/07/96/88/861079688.db2.gz FOHQMVNBPCBAOZ-IBGZPJMESA-N 1 0 396.453 3.956 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)[NH+]1CCC(C)CC1 ZINC000329175847 861103410 /nfs/dbraw/zinc/10/34/10/861103410.db2.gz BQZWGQONWYJISG-KRWDZBQOSA-N 1 0 396.535 3.548 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C(=O)OC)cc2)cc1OC ZINC000600160299 861144302 /nfs/dbraw/zinc/14/43/02/861144302.db2.gz CIBMRPOKJCHAIC-UHFFFAOYSA-N 1 0 375.852 3.990 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000899559444 861152673 /nfs/dbraw/zinc/15/26/73/861152673.db2.gz RUYHUVXRRGJGLX-UHFFFAOYSA-N 1 0 391.519 3.554 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000599392533 861156250 /nfs/dbraw/zinc/15/62/50/861156250.db2.gz UJUYTIPPHHQUNI-SFHVURJKSA-N 1 0 378.394 3.753 20 30 GHEDRO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000609194657 881621173 /nfs/dbraw/zinc/62/11/73/881621173.db2.gz AKNXILOLOHGFNC-SFHVURJKSA-N 1 0 395.503 3.513 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+](C)C)c1 ZINC000171138466 863078951 /nfs/dbraw/zinc/07/89/51/863078951.db2.gz QYFZYXKOJAQQCY-GOSISDBHSA-N 1 0 383.496 3.548 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1F ZINC000182001548 863081867 /nfs/dbraw/zinc/08/18/67/863081867.db2.gz NLBXOWTUDUROAF-KXSVDRQTSA-N 1 0 375.488 3.804 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc1OC ZINC000062254840 863154604 /nfs/dbraw/zinc/15/46/04/863154604.db2.gz VHVOFBXZVWGUES-CQSZACIVSA-N 1 0 394.313 3.645 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160013484 863229437 /nfs/dbraw/zinc/22/94/37/863229437.db2.gz VYNACPMFEXFNIN-WIYYLYMNSA-N 1 0 397.544 3.540 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N(CCC#N)CC1CC1)C1CCCCC1 ZINC000132701685 881643688 /nfs/dbraw/zinc/64/36/88/881643688.db2.gz CNCKTZMZDUADON-UHFFFAOYSA-N 1 0 396.535 3.542 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508462401 863349335 /nfs/dbraw/zinc/34/93/35/863349335.db2.gz WCHJRIFJDJTFMS-PKOBYXMFSA-N 1 0 399.514 3.808 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1 ZINC000160195181 863393833 /nfs/dbraw/zinc/39/38/33/863393833.db2.gz JBKAECNFAXIDDM-LPHOPBHVSA-N 1 0 390.466 3.598 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000593945202 863442002 /nfs/dbraw/zinc/44/20/02/863442002.db2.gz RWOIRLYSWRZMBP-JPYJTQIMSA-N 1 0 391.515 3.699 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047871253 863507325 /nfs/dbraw/zinc/50/73/25/863507325.db2.gz VYMPJNFAQQGMHJ-IBGZPJMESA-N 1 0 398.532 3.521 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000593978400 863577733 /nfs/dbraw/zinc/57/77/33/863577733.db2.gz WMIIIDAZHGJZIB-LJQANCHMSA-N 1 0 375.516 3.860 20 30 GHEDRO CCC1(O)CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000444175585 863606239 /nfs/dbraw/zinc/60/62/39/863606239.db2.gz KQCURTNORINNGV-UHFFFAOYSA-N 1 0 380.488 3.883 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000444185126 863622671 /nfs/dbraw/zinc/62/26/71/863622671.db2.gz PSJIMNCQEZNLMP-UHFFFAOYSA-N 1 0 375.669 3.622 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029810792 863642238 /nfs/dbraw/zinc/64/22/38/863642238.db2.gz DXFFUYYAEYORLQ-OAQYLSRUSA-N 1 0 394.519 3.571 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000594000091 863708097 /nfs/dbraw/zinc/70/80/97/863708097.db2.gz ALSAUWBZOSEORE-IBGZPJMESA-N 1 0 390.531 3.897 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000594024538 863764063 /nfs/dbraw/zinc/76/40/63/863764063.db2.gz NYRQTBGCBVIKAC-CJFMBICVSA-N 1 0 387.527 3.861 20 30 GHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H](C)O1 ZINC000444269881 863792327 /nfs/dbraw/zinc/79/23/27/863792327.db2.gz MTSMPCNIKIPODP-RTBURBONSA-N 1 0 396.535 3.564 20 30 GHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2cn(CCCC#N)c3ccccc23)C[C@H](C)O1 ZINC000444269878 863792625 /nfs/dbraw/zinc/79/26/25/863792625.db2.gz MTSMPCNIKIPODP-OALUTQOASA-N 1 0 396.535 3.564 20 30 GHEDRO C=CC[N@@H+](CCc1ccco1)CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000856734567 881700160 /nfs/dbraw/zinc/70/01/60/881700160.db2.gz RNMCXUAKGDCRPM-VSOVRNOCSA-N 1 0 390.524 3.603 20 30 GHEDRO C[N@H+](CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)Cc1ccccc1 ZINC000554244713 863991660 /nfs/dbraw/zinc/99/16/60/863991660.db2.gz BYDWTDAKLYXIDK-UHFFFAOYSA-N 1 0 384.483 3.735 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000609204141 881720126 /nfs/dbraw/zinc/72/01/26/881720126.db2.gz RBVCABUKKJRTDF-IBGZPJMESA-N 1 0 386.442 3.650 20 30 GHEDRO CCOC1CC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000554283749 864042692 /nfs/dbraw/zinc/04/26/92/864042692.db2.gz VKIIYPHLQUBKJK-UHFFFAOYSA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@@H](CCc1ccccc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042929343 864103243 /nfs/dbraw/zinc/10/32/43/864103243.db2.gz KOZDHSOPQTZSOM-FQEVSTJZSA-N 1 0 390.531 3.797 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475122020 864254435 /nfs/dbraw/zinc/25/44/35/864254435.db2.gz VJGRXOZDPBCHTN-NRFANRHFSA-N 1 0 379.504 3.667 20 30 GHEDRO C=CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccncc1 ZINC000734679949 864379652 /nfs/dbraw/zinc/37/96/52/864379652.db2.gz LFBCJQYOYFJFPJ-FQEVSTJZSA-N 1 0 388.462 3.750 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCSC1 ZINC000480277761 864410685 /nfs/dbraw/zinc/41/06/85/864410685.db2.gz YESJQZIRZMGRIF-NRFANRHFSA-N 1 0 381.501 3.518 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(OC)c1 ZINC000063273307 864456886 /nfs/dbraw/zinc/45/68/86/864456886.db2.gz NWLPHIAXZBNJRH-UHFFFAOYSA-N 1 0 386.536 3.573 20 30 GHEDRO CN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554555218 864540206 /nfs/dbraw/zinc/54/02/06/864540206.db2.gz BADFAYPCIDJISM-DOFOLRJGSA-N 1 0 396.535 3.515 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000667674239 864630521 /nfs/dbraw/zinc/63/05/21/864630521.db2.gz ZKFYOJFVNUFQBC-GOSISDBHSA-N 1 0 394.313 3.621 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000063402070 864656426 /nfs/dbraw/zinc/65/64/26/864656426.db2.gz GSHBXYVJHQKCKY-GOSISDBHSA-N 1 0 388.512 3.805 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@H]([NH+](CC)CC)C2)c1=S ZINC000173463212 864750159 /nfs/dbraw/zinc/75/01/59/864750159.db2.gz CFZYYWWLFUEYNG-MRXNPFEDSA-N 1 0 389.544 3.780 20 30 GHEDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H]1C ZINC000475372461 864887186 /nfs/dbraw/zinc/88/71/86/864887186.db2.gz OCHUKPXHYYVLJZ-VGSWGCGISA-N 1 0 378.472 3.768 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000897267765 865037338 /nfs/dbraw/zinc/03/73/38/865037338.db2.gz PCJZVTKGHDPVEJ-LAUBAEHRSA-N 1 0 378.472 3.828 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)c1ccc(C#N)cc1 ZINC000554849177 865037508 /nfs/dbraw/zinc/03/75/08/865037508.db2.gz VTNCTJSTDSUYCM-QGZVFWFLSA-N 1 0 377.488 3.847 20 30 GHEDRO Cc1nc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)sc1SCC#N ZINC000609842129 865060068 /nfs/dbraw/zinc/06/00/68/865060068.db2.gz MNFSKCCALJHNMP-UHFFFAOYSA-N 1 0 381.486 3.880 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000173859339 865124156 /nfs/dbraw/zinc/12/41/56/865124156.db2.gz AJIUBPRTEXNZRW-IRXDYDNUSA-N 1 0 379.460 3.710 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccccc2COCc2ccccc2)CC1 ZINC000171710847 865338550 /nfs/dbraw/zinc/33/85/50/865338550.db2.gz YABNCZOCCMFKNS-UHFFFAOYSA-N 1 0 393.531 3.853 20 30 GHEDRO CC(C)OCC[NH+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193061242 865425089 /nfs/dbraw/zinc/42/50/89/865425089.db2.gz QMDZNEARFGIGIQ-UHFFFAOYSA-N 1 0 391.559 3.929 20 30 GHEDRO C#Cc1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)nc1 ZINC000776905346 881875127 /nfs/dbraw/zinc/87/51/27/881875127.db2.gz ZUDJLUXVMZXGHU-HXUWFJFHSA-N 1 0 383.442 3.687 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594232440 865493415 /nfs/dbraw/zinc/49/34/15/865493415.db2.gz UTFXHDPHKFSEHM-QZTJIDSGSA-N 1 0 388.515 3.740 20 30 GHEDRO N#C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Cl ZINC000172295784 865548768 /nfs/dbraw/zinc/54/87/68/865548768.db2.gz CZEGOOZFGZQMNJ-NRFANRHFSA-N 1 0 396.922 3.623 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000172638597 865659039 /nfs/dbraw/zinc/65/90/39/865659039.db2.gz VELVEJIXNZHXJH-UHFFFAOYSA-N 1 0 393.413 3.663 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000594307228 865747519 /nfs/dbraw/zinc/74/75/19/865747519.db2.gz KRCIKWLTLDIOCX-VQTJNVASSA-N 1 0 375.516 3.860 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000555252438 865768117 /nfs/dbraw/zinc/76/81/17/865768117.db2.gz KRBCDFIHCYLBQY-UHFFFAOYSA-N 1 0 394.567 3.542 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555256823 865811515 /nfs/dbraw/zinc/81/15/15/865811515.db2.gz UHBKYMYMKHEDCW-LJQANCHMSA-N 1 0 383.515 3.649 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000739991903 865821625 /nfs/dbraw/zinc/82/16/25/865821625.db2.gz SXXOJPPDYPCTLM-JOCHJYFZSA-N 1 0 377.488 3.548 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)s1 ZINC000740049556 865837608 /nfs/dbraw/zinc/83/76/08/865837608.db2.gz XARCVXDGDLPFJC-MOPGFXCFSA-N 1 0 380.517 3.713 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481182334 865943683 /nfs/dbraw/zinc/94/36/83/865943683.db2.gz BETRWYNMQXCKTK-KKSFZXQISA-N 1 0 396.922 3.650 20 30 GHEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000020937029 866089396 /nfs/dbraw/zinc/08/93/96/866089396.db2.gz VRCARNWKYTVEJC-XMMPIXPASA-N 1 0 392.547 3.508 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000670233849 866273408 /nfs/dbraw/zinc/27/34/08/866273408.db2.gz HIGLKUBTCWLELG-OAQYLSRUSA-N 1 0 381.568 3.808 20 30 GHEDRO N#Cc1c(COC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cn2ccccc12 ZINC000741327403 866409433 /nfs/dbraw/zinc/40/94/33/866409433.db2.gz HGYIPLNEAUCNNJ-SFHVURJKSA-N 1 0 391.446 3.905 20 30 GHEDRO C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456353591 866476386 /nfs/dbraw/zinc/47/63/86/866476386.db2.gz ZNMRUDHSWDOMKU-SFHVURJKSA-N 1 0 379.529 3.631 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)ccc1OC ZINC000857076922 881990564 /nfs/dbraw/zinc/99/05/64/881990564.db2.gz YYEJXOBGDIQXND-QUCCMNQESA-N 1 0 393.487 3.964 20 30 GHEDRO C[C@H]1C[NH+](CCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000523126092 866675471 /nfs/dbraw/zinc/67/54/71/866675471.db2.gz DWVDQNDWGITKTG-ROUUACIJSA-N 1 0 392.503 3.531 20 30 GHEDRO C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183462871 866734246 /nfs/dbraw/zinc/73/42/46/866734246.db2.gz LSAAUHYIYRFSND-ZFWWWQNUSA-N 1 0 392.450 3.934 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000183457705 866745618 /nfs/dbraw/zinc/74/56/18/866745618.db2.gz DMWZZYTZCWIENP-IBGZPJMESA-N 1 0 391.515 3.806 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCOCC(F)(F)C(F)F ZINC000189933160 882044977 /nfs/dbraw/zinc/04/49/77/882044977.db2.gz ZDWBBVZGOISUMD-QMMMGPOBSA-N 1 0 379.320 3.630 20 30 GHEDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000444768750 867204774 /nfs/dbraw/zinc/20/47/74/867204774.db2.gz XOKQCCDQPMLIFX-QFIPXVFZSA-N 1 0 386.540 3.657 20 30 GHEDRO C=CCOc1c(Br)cc(CNCC[N@@H+]2CCC[C@@H]2C)cc1OCC ZINC000742387661 867253711 /nfs/dbraw/zinc/25/37/11/867253711.db2.gz SZLPSVNMZZILBP-HNNXBMFYSA-N 1 0 397.357 3.987 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCc3ccc(F)c(C[NH+](C)C)c3)c2c1 ZINC000553439587 867405917 /nfs/dbraw/zinc/40/59/17/867405917.db2.gz FUKCHWSXRZJNHK-UHFFFAOYSA-N 1 0 394.450 3.936 20 30 GHEDRO CC[C@H](Oc1cccc(C)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479248878 867421560 /nfs/dbraw/zinc/42/15/60/867421560.db2.gz REIVFSXMMJUXLN-QFIPXVFZSA-N 1 0 391.515 3.827 20 30 GHEDRO CC[C@H](Oc1ccccc1C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479275310 867503836 /nfs/dbraw/zinc/50/38/36/867503836.db2.gz JZBRWKMWDHMBHJ-NRFANRHFSA-N 1 0 391.515 3.827 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc(C#N)ccc1F ZINC000742733796 867517434 /nfs/dbraw/zinc/51/74/34/867517434.db2.gz YPBNADWEOFNHSO-KRWDZBQOSA-N 1 0 395.478 3.881 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000440621832 867565762 /nfs/dbraw/zinc/56/57/62/867565762.db2.gz GGBKGUSMJNXQRN-RXVVDRJESA-N 1 0 389.421 3.909 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000523589338 867590654 /nfs/dbraw/zinc/59/06/54/867590654.db2.gz XMVFARWVTHQBSD-HSZRJFAPSA-N 1 0 388.515 3.964 20 30 GHEDRO CN(C(=O)c1c(F)c(F)cc(F)c1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457091424 867647387 /nfs/dbraw/zinc/64/73/87/867647387.db2.gz VUTBFNAMZUGWOS-UHFFFAOYSA-N 1 0 386.311 3.732 20 30 GHEDRO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000183765283 867783551 /nfs/dbraw/zinc/78/35/51/867783551.db2.gz NEUONVCABROVCB-FGZHOGPDSA-N 1 0 375.472 3.776 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000743152524 867880751 /nfs/dbraw/zinc/88/07/51/867880751.db2.gz YBYXEBMOHPXTFG-UZLBHIALSA-N 1 0 383.517 3.965 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]C[C@H](O)CC(C)(C)C#N)cccc21 ZINC000857237023 882131879 /nfs/dbraw/zinc/13/18/79/882131879.db2.gz NOYVUXMWCBDXGK-QGZVFWFLSA-N 1 0 387.524 3.765 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000743194893 867939482 /nfs/dbraw/zinc/93/94/82/867939482.db2.gz SPMIIPYSJGTAIJ-UHFFFAOYSA-N 1 0 395.478 3.932 20 30 GHEDRO C=C[C@H](CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000457385267 868208912 /nfs/dbraw/zinc/20/89/12/868208912.db2.gz SDTMKSVYHAPKNQ-PBEJRMEISA-N 1 0 382.479 3.837 20 30 GHEDRO C=C[C@H](CC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000457385264 868209132 /nfs/dbraw/zinc/20/91/32/868209132.db2.gz SDTMKSVYHAPKNQ-OZOXKJRCSA-N 1 0 382.479 3.837 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000457486902 868346194 /nfs/dbraw/zinc/34/61/94/868346194.db2.gz QDQBDZMEZJCGLB-YADHBBJMSA-N 1 0 378.520 3.894 20 30 GHEDRO N#CCCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000457488920 868348269 /nfs/dbraw/zinc/34/82/69/868348269.db2.gz KWMHBADQLNPTLM-FGZHOGPDSA-N 1 0 376.504 3.995 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000553912800 868452386 /nfs/dbraw/zinc/45/23/86/868452386.db2.gz KCUDXCSQLBQVQC-HSZRJFAPSA-N 1 0 399.506 3.975 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743871281 868468409 /nfs/dbraw/zinc/46/84/09/868468409.db2.gz ZUUQIZYWEDTYBC-CQSZACIVSA-N 1 0 381.314 3.566 20 30 GHEDRO CSCc1cc(F)ccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262775388 882216997 /nfs/dbraw/zinc/21/69/97/882216997.db2.gz JWJUPRMFEPRWCY-UHFFFAOYSA-N 1 0 375.469 3.777 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](CC(C)C)C2)c1=S ZINC000744437571 868839010 /nfs/dbraw/zinc/83/90/10/868839010.db2.gz VZHVTDUTDOGOSV-LJQANCHMSA-N 1 0 391.629 3.954 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@]4(C3)CCCOC4)sc2C1 ZINC000585756197 882232564 /nfs/dbraw/zinc/23/25/64/882232564.db2.gz LLPJEKLQMXRJMA-BTYIYWSLSA-N 1 0 387.549 3.576 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1 ZINC000262825501 882249058 /nfs/dbraw/zinc/24/90/58/882249058.db2.gz YDLWUXAIQZUSPN-UHFFFAOYSA-N 1 0 399.438 3.653 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)nc1 ZINC000428784153 868970876 /nfs/dbraw/zinc/97/08/76/868970876.db2.gz OBZPWOWDRSDFQP-JOCHJYFZSA-N 1 0 398.466 3.859 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](C)C1 ZINC000122205221 868990520 /nfs/dbraw/zinc/99/05/20/868990520.db2.gz JNAVRYSUDMWCAF-WZONZLPQSA-N 1 0 391.515 3.940 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)/C=C\c3ccccc3C#N)cc2)C1 ZINC000744746269 869043874 /nfs/dbraw/zinc/04/38/74/869043874.db2.gz LPNJATGHDOVOET-SNMSSPIJSA-N 1 0 375.472 3.931 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1cc(F)ccc1F ZINC000535588555 869055549 /nfs/dbraw/zinc/05/55/49/869055549.db2.gz UXNIPEIVOBBFEF-UHFFFAOYSA-N 1 0 385.458 3.750 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)cc1 ZINC000524436681 869057011 /nfs/dbraw/zinc/05/70/11/869057011.db2.gz FRDNNRYIFAGPIJ-UHFFFAOYSA-N 1 0 389.499 3.554 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000524451521 869101437 /nfs/dbraw/zinc/10/14/37/869101437.db2.gz JZSINSAFPZAHAH-WIYYLYMNSA-N 1 0 397.544 3.713 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000443018126 869223502 /nfs/dbraw/zinc/22/35/02/869223502.db2.gz IOSVZZXSIBDDTL-ICSRJNTNSA-N 1 0 397.544 3.713 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2=O)ccc1Br ZINC000462353797 869282724 /nfs/dbraw/zinc/28/27/24/869282724.db2.gz BCXZMDLWPHBIRO-SFHVURJKSA-N 1 0 384.277 3.524 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000539609121 869438055 /nfs/dbraw/zinc/43/80/55/869438055.db2.gz BCIRSICCQZIRSA-MLGOLLRUSA-N 1 0 382.357 3.807 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000524836405 869637167 /nfs/dbraw/zinc/63/71/67/869637167.db2.gz RXHIRLOLVOXSAL-FQEVSTJZSA-N 1 0 398.388 3.823 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cc(Br)cs1 ZINC000524907049 869743268 /nfs/dbraw/zinc/74/32/68/869743268.db2.gz PWQNTYWPIVWLCT-UHFFFAOYSA-N 1 0 381.295 3.902 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)cc1 ZINC000539849434 869896527 /nfs/dbraw/zinc/89/65/27/869896527.db2.gz FRIINDGCYHZJNB-QGZVFWFLSA-N 1 0 384.442 3.874 20 30 GHEDRO CCN(CC1CC[NH+](CCOc2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC000745946086 869898713 /nfs/dbraw/zinc/89/87/13/869898713.db2.gz NZESUOZETYBXOO-UHFFFAOYSA-N 1 0 387.524 3.906 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+](C)C ZINC000508861265 869958752 /nfs/dbraw/zinc/95/87/52/869958752.db2.gz HRIHDHLZXOAGGN-UWJYYQICSA-N 1 0 376.504 3.846 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000746172987 870086277 /nfs/dbraw/zinc/08/62/77/870086277.db2.gz CMMHOMWKIFBHNO-UHFFFAOYSA-N 1 0 390.531 3.762 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508863140 870182102 /nfs/dbraw/zinc/18/21/02/870182102.db2.gz HMPSKJNQURIHOE-KRWDZBQOSA-N 1 0 399.514 3.808 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262574827 870237841 /nfs/dbraw/zinc/23/78/41/870237841.db2.gz ZWULMNXMSZPLTC-APWZRJJASA-N 1 0 398.938 3.903 20 30 GHEDRO C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC001192327533 870291631 /nfs/dbraw/zinc/29/16/31/870291631.db2.gz FWMXNPIARHFNMZ-UHFFFAOYSA-N 1 0 390.549 3.755 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793765286 882392820 /nfs/dbraw/zinc/39/28/20/882392820.db2.gz HMUQTPSOBAOALE-NRFANRHFSA-N 1 0 383.565 3.561 20 30 GHEDRO C[C@@H](O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001192379356 870334873 /nfs/dbraw/zinc/33/48/73/870334873.db2.gz DIRQXRWRLRXDEK-NPFVIJTESA-N 1 0 377.488 3.524 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731524 870458520 /nfs/dbraw/zinc/45/85/20/870458520.db2.gz RTXYJDBQXMITTD-HNNXBMFYSA-N 1 0 391.504 3.863 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)s1 ZINC000092673993 882409863 /nfs/dbraw/zinc/40/98/63/882409863.db2.gz IYVMTOJNHDIKOW-UHFFFAOYSA-N 1 0 396.560 3.801 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000617585481 870467155 /nfs/dbraw/zinc/46/71/55/870467155.db2.gz OYHWXUBZSIRWLN-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO CN(C)C(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C(C)(C)C1 ZINC001192662852 870610920 /nfs/dbraw/zinc/61/09/20/870610920.db2.gz QTZFGVDTUPJJHV-UHFFFAOYSA-N 1 0 376.504 3.803 20 30 GHEDRO C#CCNC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001192790970 870705262 /nfs/dbraw/zinc/70/52/62/870705262.db2.gz DQQQVUCEOYPRDN-GOSISDBHSA-N 1 0 379.262 3.755 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(F)cc1OCC#N ZINC000766452120 870792826 /nfs/dbraw/zinc/79/28/26/870792826.db2.gz KVGCKKCBOLUFHB-IAGOWNOFSA-N 1 0 396.466 3.855 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@H](C)N(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC001192929735 870795548 /nfs/dbraw/zinc/79/55/48/870795548.db2.gz QBCUMDIQYVBASY-INIZCTEOSA-N 1 0 395.528 3.867 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461715995 870799505 /nfs/dbraw/zinc/79/95/05/870799505.db2.gz NIYIENFVUQCDRH-LJQANCHMSA-N 1 0 378.520 3.999 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000461744566 870897849 /nfs/dbraw/zinc/89/78/49/870897849.db2.gz GNFNHEZGCAWSLV-JTSKRJEESA-N 1 0 377.488 3.624 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000461770103 870911213 /nfs/dbraw/zinc/91/12/13/870911213.db2.gz VGGOFUKLIFDRCH-VGOFRKELSA-N 1 0 377.488 3.624 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538937921 870921806 /nfs/dbraw/zinc/92/18/06/870921806.db2.gz JACUXMYSLCBBSD-UHFFFAOYSA-N 1 0 377.879 3.905 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)c1 ZINC001193282125 871002456 /nfs/dbraw/zinc/00/24/56/871002456.db2.gz IXKNSVNGVYRFSF-IBGZPJMESA-N 1 0 378.394 3.753 20 30 GHEDRO C[C@@H](C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000463147589 871014228 /nfs/dbraw/zinc/01/42/28/871014228.db2.gz DZZQJQMWGAIKTG-OAHLLOKOSA-N 1 0 382.895 3.706 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CCCC2 ZINC000429706525 871060461 /nfs/dbraw/zinc/06/04/61/871060461.db2.gz DGTQUVFPHBEIBR-CDHQVMDDSA-N 1 0 399.560 3.764 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000540378315 871114672 /nfs/dbraw/zinc/11/46/72/871114672.db2.gz FLBOPRNMVWHHCP-MOPGFXCFSA-N 1 0 390.325 3.688 20 30 GHEDRO N#CCCCC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000461900099 871189273 /nfs/dbraw/zinc/18/92/73/871189273.db2.gz FEIMMAAXVMYUSJ-UHFFFAOYSA-N 1 0 376.504 3.637 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001193694866 871218325 /nfs/dbraw/zinc/21/83/25/871218325.db2.gz PTNSYWWAAABGQQ-IBGZPJMESA-N 1 0 384.426 3.756 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1)C[C@H]1CCCCO1 ZINC000540422874 871244452 /nfs/dbraw/zinc/24/44/52/871244452.db2.gz YGMKZSREGYAOHS-OAQYLSRUSA-N 1 0 394.519 3.929 20 30 GHEDRO COc1ccc(COCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181668396 871363029 /nfs/dbraw/zinc/36/30/29/871363029.db2.gz QMUOTBGKJLCQSL-UHFFFAOYSA-N 1 0 393.531 3.728 20 30 GHEDRO C=CC[C@H]1[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC001193921573 871394160 /nfs/dbraw/zinc/39/41/60/871394160.db2.gz ZBCMFZAAZOUVIQ-GOSISDBHSA-N 1 0 375.469 3.999 20 30 GHEDRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N(C)Cc1ccccc1 ZINC000181734170 871424103 /nfs/dbraw/zinc/42/41/03/871424103.db2.gz VVOKWELYFJUTNL-FQEVSTJZSA-N 1 0 376.548 3.633 20 30 GHEDRO C[C@@](C#N)(Nc1ccccc1C(=O)NC1CC[NH2+]CC1)c1ccccc1Cl ZINC001169391443 871463339 /nfs/dbraw/zinc/46/33/39/871463339.db2.gz YDKSASGYAOQJHD-NRFANRHFSA-N 1 0 382.895 3.673 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)[C@H](C)[C@H]1OC ZINC001194090699 871498670 /nfs/dbraw/zinc/49/86/70/871498670.db2.gz KEAPCDZBGJKJTB-VLCRHTCISA-N 1 0 385.552 3.979 20 30 GHEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001194163533 871520980 /nfs/dbraw/zinc/52/09/80/871520980.db2.gz IAGDXNPJQMHGKL-NZQKXSOJSA-N 1 0 384.520 3.538 20 30 GHEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000540590220 871639643 /nfs/dbraw/zinc/63/96/43/871639643.db2.gz CXQUQFOKVTYORN-SFHVURJKSA-N 1 0 375.488 3.551 20 30 GHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000460259544 871704492 /nfs/dbraw/zinc/70/44/92/871704492.db2.gz AZKATBDQCRYPPS-KKXNLOMOSA-N 1 0 386.540 3.668 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169710577 871795307 /nfs/dbraw/zinc/79/53/07/871795307.db2.gz NCPJTBQNJCNDMY-UHFFFAOYSA-N 1 0 375.657 3.814 20 30 GHEDRO CCCC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000182143320 871915646 /nfs/dbraw/zinc/91/56/46/871915646.db2.gz BKPYZIDFEPYQDB-NRFANRHFSA-N 1 0 386.517 3.862 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000526047959 871993136 /nfs/dbraw/zinc/99/31/36/871993136.db2.gz BDAVLGCLYCAPMS-JSGCOSHPSA-N 1 0 386.496 3.859 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618822346 872008506 /nfs/dbraw/zinc/00/85/06/872008506.db2.gz RSQSQBIDBMXSQO-OAOOKAIFSA-N 1 0 388.515 3.898 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000618812929 872020283 /nfs/dbraw/zinc/02/02/83/872020283.db2.gz JAMKLIQERZBPCK-FQEVSTJZSA-N 1 0 398.576 3.596 20 30 GHEDRO C[C@H]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618842258 872053309 /nfs/dbraw/zinc/05/33/09/872053309.db2.gz KKHBDHASYLUIPN-MBSDFSHPSA-N 1 0 388.515 3.852 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618841422 872053963 /nfs/dbraw/zinc/05/39/63/872053963.db2.gz VYVQYOVUJFGSRR-NRFANRHFSA-N 1 0 398.457 3.597 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618842372 872055418 /nfs/dbraw/zinc/05/54/18/872055418.db2.gz LQJLDJIHGFIXEP-FDDCHVKYSA-N 1 0 388.515 3.852 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000477851799 872062740 /nfs/dbraw/zinc/06/27/40/872062740.db2.gz RXZWFTLUKALQPV-QGZVFWFLSA-N 1 0 395.469 3.868 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000463579650 872065508 /nfs/dbraw/zinc/06/55/08/872065508.db2.gz YOKLOMPCYKWPOJ-IEBWSBKVSA-N 1 0 380.488 3.653 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000618848406 872070389 /nfs/dbraw/zinc/07/03/89/872070389.db2.gz JJJHXDDTFJWUGT-JOCHJYFZSA-N 1 0 380.536 3.843 20 30 GHEDRO CCC1(CC)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000766994053 872121518 /nfs/dbraw/zinc/12/15/18/872121518.db2.gz BIPSEPYZCBKFNI-INIZCTEOSA-N 1 0 380.517 3.831 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000526108389 872138996 /nfs/dbraw/zinc/13/89/96/872138996.db2.gz FWHLJRYHWIILIU-MNNVXMFVSA-N 1 0 379.460 3.765 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000182379393 872269885 /nfs/dbraw/zinc/26/98/85/872269885.db2.gz OBTVXGZCRUSVES-UHFFFAOYSA-N 1 0 397.972 3.734 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000093644424 872314615 /nfs/dbraw/zinc/31/46/15/872314615.db2.gz KKBSBYCHCFADMF-GOEBONIOSA-N 1 0 397.357 3.937 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540862505 872337264 /nfs/dbraw/zinc/33/72/64/872337264.db2.gz FSHCRFUHYXCJLN-HKUYNNGSSA-N 1 0 385.556 3.621 20 30 GHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cccc21 ZINC000619146974 872350182 /nfs/dbraw/zinc/35/01/82/872350182.db2.gz FQDCADNRSZCDKW-SFTDATJTSA-N 1 0 390.487 3.551 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2cccc(C)c2)cn1 ZINC000101900358 872354575 /nfs/dbraw/zinc/35/45/75/872354575.db2.gz HEJJGFNNEJSEFT-UHFFFAOYSA-O 1 0 385.538 3.920 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(OC)cc2)[n+]2ccc(C)cc2)cn1 ZINC000101900454 872354649 /nfs/dbraw/zinc/35/46/49/872354649.db2.gz KKAAVXWKEHXSTD-UHFFFAOYSA-O 1 0 395.508 3.558 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2cc3ccccc3o2)[n+]2ccccc2)cn1 ZINC000101900351 872354762 /nfs/dbraw/zinc/35/47/62/872354762.db2.gz OYPOWZPHRLBYCP-UHFFFAOYSA-O 1 0 391.476 3.988 20 30 GHEDRO C[C@H]1CC2(C[N@@H+]1C[C@H](O)c1cccc(C#N)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001195375754 872376032 /nfs/dbraw/zinc/37/60/32/872376032.db2.gz CHEXDXBMXGECIA-PXNSSMCTSA-N 1 0 399.535 3.703 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)CC(C)(C)C#N)C1 ZINC000857880295 882609891 /nfs/dbraw/zinc/60/98/91/882609891.db2.gz FXOGKTSVXANUNT-OAHLLOKOSA-N 1 0 378.314 3.598 20 30 GHEDRO CC(C)(C)OC(=O)CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C1CCOCC1 ZINC001195537215 872475155 /nfs/dbraw/zinc/47/51/55/872475155.db2.gz ZPWLWYQAUXGVNI-UHFFFAOYSA-N 1 0 378.900 3.924 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001195729112 872580272 /nfs/dbraw/zinc/58/02/72/872580272.db2.gz MUZFHOQOZJIMNW-RCCFBDPRSA-N 1 0 378.476 3.950 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)cc1 ZINC001195728484 872580371 /nfs/dbraw/zinc/58/03/71/872580371.db2.gz GRBAPXYWYOSOGD-PWRODBHTSA-N 1 0 389.543 3.980 20 30 GHEDRO CC(C)Oc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001195813723 872683768 /nfs/dbraw/zinc/68/37/68/872683768.db2.gz BGIUXZJGMWKMDQ-UHFFFAOYSA-N 1 0 395.478 3.901 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000527114874 872694635 /nfs/dbraw/zinc/69/46/35/872694635.db2.gz WJXNXCKHNWGGHN-UHFFFAOYSA-N 1 0 379.489 3.680 20 30 GHEDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000478246549 872726829 /nfs/dbraw/zinc/72/68/29/872726829.db2.gz BIULBYNSPGGCER-KUNJGFBQSA-N 1 0 378.501 3.547 20 30 GHEDRO N#CCC1CCN(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000541044138 872793163 /nfs/dbraw/zinc/79/31/63/872793163.db2.gz JIOWCFXSTJNCAQ-UHFFFAOYSA-N 1 0 397.523 3.659 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(C#N)ccc1OC ZINC000152706783 872797966 /nfs/dbraw/zinc/79/79/66/872797966.db2.gz BXTUMNFXCQWYNZ-UHFFFAOYSA-N 1 0 397.548 3.665 20 30 GHEDRO CN1Cc2ccccc2[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000619666897 872880717 /nfs/dbraw/zinc/88/07/17/872880717.db2.gz DIWXXYPAZIIHEO-MRXNPFEDSA-N 1 0 390.365 3.765 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccc(C(F)F)nc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001196102519 872881122 /nfs/dbraw/zinc/88/11/22/872881122.db2.gz UEQTVNSXENLOEI-IYARVYRRSA-N 1 0 384.430 3.803 20 30 GHEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000767874344 872928272 /nfs/dbraw/zinc/92/82/72/872928272.db2.gz GGSUMTDMTGOQPF-CQSZACIVSA-N 1 0 388.851 3.645 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000767875998 872930642 /nfs/dbraw/zinc/93/06/42/872930642.db2.gz NNURCFFVHSQARM-INIZCTEOSA-N 1 0 379.426 3.837 20 30 GHEDRO CCC[NH+]1CCC(N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000163116460 872951094 /nfs/dbraw/zinc/95/10/94/872951094.db2.gz UFBFPGMPTZNVSC-UHFFFAOYSA-N 1 0 390.959 3.701 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667336124 872992316 /nfs/dbraw/zinc/99/23/16/872992316.db2.gz WTSVPAFFPRJIST-UHFFFAOYSA-N 1 0 387.572 3.674 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619768275 873005575 /nfs/dbraw/zinc/00/55/75/873005575.db2.gz LANFRYPAELZWGC-IBGZPJMESA-N 1 0 396.922 3.875 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC001196470385 873118766 /nfs/dbraw/zinc/11/87/66/873118766.db2.gz OZQICMSBAUHJQP-KRWDZBQOSA-N 1 0 394.519 3.891 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1C#N ZINC000552754766 873133292 /nfs/dbraw/zinc/13/32/92/873133292.db2.gz ZEMSGESYHJGNBU-UHFFFAOYSA-N 1 0 398.532 3.740 20 30 GHEDRO CCN1C[C@H](C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)Oc2ccccc21 ZINC000768213373 873168586 /nfs/dbraw/zinc/16/85/86/873168586.db2.gz RNLUVPVFKHFRQE-NRFANRHFSA-N 1 0 378.520 3.756 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000768251108 873190955 /nfs/dbraw/zinc/19/09/55/873190955.db2.gz ZNTUWZNHJGYQRK-INIZCTEOSA-N 1 0 381.451 3.511 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000768692047 873500933 /nfs/dbraw/zinc/50/09/33/873500933.db2.gz JBFYVQVKMXVCGL-WMZOPIPTSA-N 1 0 391.471 3.532 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609130144 873591867 /nfs/dbraw/zinc/59/18/67/873591867.db2.gz IASBYOVORUWEMF-GGAORHGYSA-N 1 0 394.563 3.642 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)CCc1cccc(C#N)c1 ZINC001197117270 873610087 /nfs/dbraw/zinc/61/00/87/873610087.db2.gz ZWNPHBWXDXTPQB-UHFFFAOYSA-N 1 0 386.293 3.824 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)o2)cc1 ZINC000464350385 873685818 /nfs/dbraw/zinc/68/58/18/873685818.db2.gz NOPWTGVJTISYOF-LJQANCHMSA-N 1 0 393.487 3.725 20 30 GHEDRO CC(C)(C)OCCC[NH+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001197335995 873749931 /nfs/dbraw/zinc/74/99/31/873749931.db2.gz SUDJJUJLGRHOGS-UHFFFAOYSA-N 1 0 382.470 3.880 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC000921242763 882766321 /nfs/dbraw/zinc/76/63/21/882766321.db2.gz VLCVWOMOKUCPSV-SFHVURJKSA-N 1 0 376.504 3.549 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)sc2c1CCC2 ZINC001197544395 873887199 /nfs/dbraw/zinc/88/71/99/873887199.db2.gz XFEPHWSYRLUBEI-INIZCTEOSA-N 1 0 399.491 3.729 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000541589546 873934450 /nfs/dbraw/zinc/93/44/50/873934450.db2.gz CBEQWANHUWLBKM-UHFFFAOYSA-N 1 0 390.531 3.771 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448778730 873955407 /nfs/dbraw/zinc/95/54/07/873955407.db2.gz WSRYIPLGUXFXMD-ZDUSSCGKSA-N 1 0 378.314 3.561 20 30 GHEDRO C/C=C/COc1cccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000448816720 873991848 /nfs/dbraw/zinc/99/18/48/873991848.db2.gz SUTLXMGLXCZZBD-SNAWJCMRSA-N 1 0 391.515 3.646 20 30 GHEDRO Cc1ccc(F)cc1C[NH+]1CCC(NC(=S)Nc2cccc(C#N)c2)CC1 ZINC001197735324 874016565 /nfs/dbraw/zinc/01/65/65/874016565.db2.gz BHCJXEHAVYWQHE-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000464561942 874080223 /nfs/dbraw/zinc/08/02/23/874080223.db2.gz YNWMVPPEHYAKRE-AVRDEDQJSA-N 1 0 376.504 3.570 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCOC[C@H](C)C2)cc1OCC ZINC000769458203 874083669 /nfs/dbraw/zinc/08/36/69/874083669.db2.gz YQABAIYFXYPGAS-CQSZACIVSA-N 1 0 384.314 3.881 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CC2)c1C#N ZINC000609133614 874092595 /nfs/dbraw/zinc/09/25/95/874092595.db2.gz MREPOUIESAAESX-NRFANRHFSA-N 1 0 394.494 3.977 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)CCOCC1 ZINC001197921318 874113161 /nfs/dbraw/zinc/11/31/61/874113161.db2.gz QEGUDGFKWZJRKM-UHFFFAOYSA-N 1 0 383.517 3.528 20 30 GHEDRO CCC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000775823140 874224145 /nfs/dbraw/zinc/22/41/45/874224145.db2.gz UKSODRMHBQHZTQ-JOCHJYFZSA-N 1 0 391.515 3.645 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001198219272 874279120 /nfs/dbraw/zinc/27/91/20/874279120.db2.gz NYGZELTVSQOQTF-UYAOXDASSA-N 1 0 385.508 3.579 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000464730430 874364490 /nfs/dbraw/zinc/36/44/90/874364490.db2.gz CISRGMXVDKFAMR-OAHLLOKOSA-N 1 0 385.405 3.710 20 30 GHEDRO N#Cc1csc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000541860762 874406443 /nfs/dbraw/zinc/40/64/43/874406443.db2.gz LPRKFDBKLOLQBY-KRWDZBQOSA-N 1 0 391.500 3.975 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(Br)cc1)C2 ZINC001203909040 874447763 /nfs/dbraw/zinc/44/77/63/874447763.db2.gz ILSATUUJTBPGAF-IBGZPJMESA-N 1 0 377.326 3.982 20 30 GHEDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000464767055 874457443 /nfs/dbraw/zinc/45/74/43/874457443.db2.gz BYVCJSMYURWEFP-ZWKOTPCHSA-N 1 0 398.494 3.779 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2CCCOc2cccc(C#N)c2)C1 ZINC001198554790 874500232 /nfs/dbraw/zinc/50/02/32/874500232.db2.gz UNDGCTUKRYKCEZ-JOCHJYFZSA-N 1 0 385.508 3.803 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775881628 874514913 /nfs/dbraw/zinc/51/49/13/874514913.db2.gz CDSKFTMQVTYZJF-QFIPXVFZSA-N 1 0 377.488 3.718 20 30 GHEDRO C[N@H+](CCOCc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000464855365 874607260 /nfs/dbraw/zinc/60/72/60/874607260.db2.gz XNPBHQLLZPSOBE-UHFFFAOYSA-N 1 0 397.544 3.976 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1C#N ZINC000464861741 874661916 /nfs/dbraw/zinc/66/19/16/874661916.db2.gz VJDXJTZSFLGPPM-RXVVDRJESA-N 1 0 398.551 3.921 20 30 GHEDRO C=CCC(C)(C)C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449341447 874730298 /nfs/dbraw/zinc/73/02/98/874730298.db2.gz TZJIGDFUZVIGCM-ZDUSSCGKSA-N 1 0 383.330 3.654 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)C1 ZINC001199000803 874757623 /nfs/dbraw/zinc/75/76/23/874757623.db2.gz CGYAXXCZKVNRJF-QGZVFWFLSA-N 1 0 388.943 3.749 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2c(F)ccc(C(F)(F)F)c2Br)CC1 ZINC000858130965 882866867 /nfs/dbraw/zinc/86/68/67/882866867.db2.gz FNLIWUAFBNLBCI-UHFFFAOYSA-N 1 0 394.210 3.685 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(O)c(OC)c1 ZINC000770688112 874836533 /nfs/dbraw/zinc/83/65/33/874836533.db2.gz VDSQXLUIWSHYQH-FQEVSTJZSA-N 1 0 398.547 3.744 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](CO)[C@H]2CC)cc1OC ZINC000449430326 874851079 /nfs/dbraw/zinc/85/10/79/874851079.db2.gz VYJYAPNBEZSIAJ-GOEBONIOSA-N 1 0 384.314 3.615 20 30 GHEDRO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062407 874874378 /nfs/dbraw/zinc/87/43/78/874874378.db2.gz VYNNGPGBHBEIEY-KKSFZXQISA-N 1 0 379.529 3.840 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000464974527 874878083 /nfs/dbraw/zinc/87/80/83/874878083.db2.gz RDJIBVPTXVWODM-UHFFFAOYSA-N 1 0 395.422 3.914 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3nc(Cl)c(C#N)s3)cc2F)CC1 ZINC000804440270 882877909 /nfs/dbraw/zinc/87/79/09/882877909.db2.gz BVNRNHMFELMOBH-UHFFFAOYSA-N 1 0 379.892 3.561 20 30 GHEDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000449523485 874997568 /nfs/dbraw/zinc/99/75/68/874997568.db2.gz YVHBTDAAWLAMIM-QGZVFWFLSA-N 1 0 391.581 3.535 20 30 GHEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000475729569 882897782 /nfs/dbraw/zinc/89/77/82/882897782.db2.gz NUPNXTDWSOLVTI-LJQANCHMSA-N 1 0 385.895 3.730 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1O ZINC000449647977 875170111 /nfs/dbraw/zinc/17/01/11/875170111.db2.gz RESBAAVUMYRLJE-CVEARBPZSA-N 1 0 380.488 3.585 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000449672722 875219909 /nfs/dbraw/zinc/21/99/09/875219909.db2.gz NAUPLZCJGOJGBC-PXNSSMCTSA-N 1 0 390.405 3.882 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000449672723 875220402 /nfs/dbraw/zinc/22/04/02/875220402.db2.gz NAUPLZCJGOJGBC-XLIONFOSSA-N 1 0 390.405 3.882 20 30 GHEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542279497 875291972 /nfs/dbraw/zinc/29/19/72/875291972.db2.gz GTJZXHZSFKBDOB-SFHVURJKSA-N 1 0 378.394 3.643 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)cc(OC)c1OC ZINC000105477952 875302654 /nfs/dbraw/zinc/30/26/54/875302654.db2.gz XDSGHHCPSQBAJM-UHFFFAOYSA-N 1 0 378.476 3.518 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)ccc1C#N ZINC000449759148 875331965 /nfs/dbraw/zinc/33/19/65/875331965.db2.gz XLCVRTXTQMUCIS-RBUKOAKNSA-N 1 0 389.421 3.687 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000528980422 875371661 /nfs/dbraw/zinc/37/16/61/875371661.db2.gz YTPSARNLYITUSC-YADHBBJMSA-N 1 0 391.490 3.994 20 30 GHEDRO CN(C)c1cc[nH+]cc1NC(=S)Nc1ccc(C#N)cc1Br ZINC001201115323 875507265 /nfs/dbraw/zinc/50/72/65/875507265.db2.gz NBYUXVWHVIGHEM-UHFFFAOYSA-N 1 0 376.283 3.591 20 30 GHEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776154051 875629741 /nfs/dbraw/zinc/62/97/41/875629741.db2.gz MQLBAMSWVPENGX-AUSIDOKSSA-N 1 0 379.504 3.622 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000772116235 875706922 /nfs/dbraw/zinc/70/69/22/875706922.db2.gz ONWNFXFPHFIHAA-UHFFFAOYSA-N 1 0 383.410 3.753 20 30 GHEDRO CCc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029984685 875762959 /nfs/dbraw/zinc/76/29/59/875762959.db2.gz IXURLAPQRNARDY-UHFFFAOYSA-N 1 0 375.516 3.788 20 30 GHEDRO CCCCCCC[NH+]1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@@H]2C ZINC001201762260 875846830 /nfs/dbraw/zinc/84/68/30/875846830.db2.gz CREXEOFAGMWCNQ-HXUWFJFHSA-N 1 0 387.568 3.942 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 ZINC001201762712 875846838 /nfs/dbraw/zinc/84/68/38/875846838.db2.gz RMPOJIWQBIVMAV-ROUUACIJSA-N 1 0 380.554 3.503 20 30 GHEDRO CCCCCCCC[N@H+]1C[C@@H](NC(=O)c2cnoc2C)[C@H]2OCCC[C@H]2C1 ZINC001201804519 875870923 /nfs/dbraw/zinc/87/09/23/875870923.db2.gz NOIJFHZZPOYGOC-SXLOBPIMSA-N 1 0 377.529 3.553 20 30 GHEDRO CCCCCCCC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001201826397 875892660 /nfs/dbraw/zinc/89/26/60/875892660.db2.gz VFPXFFCVRNIESF-SBHAEUEKSA-N 1 0 376.541 3.841 20 30 GHEDRO CCCCCCCCCC[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001201874754 875919002 /nfs/dbraw/zinc/91/90/02/875919002.db2.gz FETNQPOEDXHXGS-UHFFFAOYSA-N 1 0 388.556 3.815 20 30 GHEDRO CCCCCCCCCC[NH+]1CCC2(CN(CCOC)C(=O)[C@H]2COC)CC1 ZINC001201875170 875919794 /nfs/dbraw/zinc/91/97/94/875919794.db2.gz RMDUNHRKCMFUDK-OAQYLSRUSA-N 1 0 396.616 3.961 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC001201954238 875952839 /nfs/dbraw/zinc/95/28/39/875952839.db2.gz JDZILNAALRQVMR-UHFFFAOYSA-N 1 0 396.454 3.831 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNCC(C)(C)C[NH+]1CCCC1 ZINC001202233682 876081453 /nfs/dbraw/zinc/08/14/53/876081453.db2.gz NYLIGIYICDWREG-UHFFFAOYSA-N 1 0 379.342 3.673 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccc(C)c(C)c2)cc1 ZINC000151907705 876089098 /nfs/dbraw/zinc/08/90/98/876089098.db2.gz BVTDBWOBCHTGOU-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO CSc1nnc(CCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n1CC(C)C ZINC000271934345 876112012 /nfs/dbraw/zinc/11/20/12/876112012.db2.gz JPZORJRTBGANMB-CQSZACIVSA-N 1 0 375.517 3.950 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001202295270 876114013 /nfs/dbraw/zinc/11/40/13/876114013.db2.gz VKMGVGGDICONJZ-HXUWFJFHSA-N 1 0 378.476 3.741 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000858290017 883003851 /nfs/dbraw/zinc/00/38/51/883003851.db2.gz OWIWOVKOWXXZRQ-IBGZPJMESA-N 1 0 399.535 3.801 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)c2c1OC(F)(F)O2 ZINC001202366844 876164265 /nfs/dbraw/zinc/16/42/65/876164265.db2.gz RUFHYUVIKGJJTN-UHFFFAOYSA-N 1 0 385.414 3.720 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C(=O)N(C)C)ccc1C)C(C)C ZINC000061555007 883048053 /nfs/dbraw/zinc/04/80/53/883048053.db2.gz IXRQUEVIVNLJFU-FQEVSTJZSA-N 1 0 386.540 3.517 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)([NH+](C)C)C1 ZINC000609211404 883058272 /nfs/dbraw/zinc/05/82/72/883058272.db2.gz DEXGJNJWNSRIPR-FDDCHVKYSA-N 1 0 398.551 3.622 20 30 GHEDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)cc1 ZINC000850345584 876835925 /nfs/dbraw/zinc/83/59/25/876835925.db2.gz FNLLJNKHVDZMSV-LJQANCHMSA-N 1 0 395.503 3.755 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1OC ZINC000850367620 876856648 /nfs/dbraw/zinc/85/66/48/876856648.db2.gz OBIIKROLIROQBG-AWEZNQCLSA-N 1 0 382.298 3.824 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](n3ccnc3)C1)CCCCC2 ZINC000609157507 876923315 /nfs/dbraw/zinc/92/33/15/876923315.db2.gz YZVLSKUASDHNMA-INIZCTEOSA-N 1 0 397.548 3.751 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1C ZINC000786879521 877002502 /nfs/dbraw/zinc/00/25/02/877002502.db2.gz HUMLRNCSRXQQPL-NRFANRHFSA-N 1 0 397.519 3.500 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000786981427 877086333 /nfs/dbraw/zinc/08/63/33/877086333.db2.gz YGZGGNSPLDOZHD-OPAMFIHVSA-N 1 0 398.453 3.819 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1OC(F)F ZINC000026453629 877128976 /nfs/dbraw/zinc/12/89/76/877128976.db2.gz OKWVECQOSJJABG-UHFFFAOYSA-N 1 0 389.402 3.629 20 30 GHEDRO COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000787185244 877235387 /nfs/dbraw/zinc/23/53/87/877235387.db2.gz ZIWLVTCZNHDUJU-BJMVGYQFSA-N 1 0 398.890 3.775 20 30 GHEDRO CCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000455893314 877247240 /nfs/dbraw/zinc/24/72/40/877247240.db2.gz DEMLXXDOMCLDBG-UHFFFAOYSA-N 1 0 392.503 3.869 20 30 GHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492667718 877299584 /nfs/dbraw/zinc/29/95/84/877299584.db2.gz FRDUGLNEBAJZFY-HOCLYGCPSA-N 1 0 392.341 3.838 20 30 GHEDRO C[NH+](C)C1(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000642623472 912226035 /nfs/dbraw/zinc/22/60/35/912226035.db2.gz MYQVNPVRYMJSIL-UHFFFAOYSA-N 1 0 381.442 3.621 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000610132588 877448373 /nfs/dbraw/zinc/44/83/73/877448373.db2.gz HKIUFXMIZMOFNZ-HXUWFJFHSA-N 1 0 384.451 3.766 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000610162279 877467256 /nfs/dbraw/zinc/46/72/56/877467256.db2.gz PEVLDZDOBRCLFY-GBXCKJPGSA-N 1 0 393.531 3.748 20 30 GHEDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)ccc1C#N ZINC000443997423 877515000 /nfs/dbraw/zinc/51/50/00/877515000.db2.gz XGEZYAACZYTYDG-IBGZPJMESA-N 1 0 385.414 3.753 20 30 GHEDRO O=C(OCC#Cc1ccc(Br)cn1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000851275391 877563637 /nfs/dbraw/zinc/56/36/37/877563637.db2.gz LSEWHYZUCDEHLG-UHFFFAOYSA-N 1 0 399.288 3.648 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000192772219 877687815 /nfs/dbraw/zinc/68/78/15/877687815.db2.gz USTNOTHAXSFWGN-NSHDSACASA-N 1 0 376.254 3.820 20 30 GHEDRO c1ccc(CC[NH+]2CCC(N=Nc3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000788030227 877791932 /nfs/dbraw/zinc/79/19/32/877791932.db2.gz NAHWHSOOXCSJJL-UHFFFAOYSA-N 1 0 378.505 3.707 20 30 GHEDRO N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000788180322 877873935 /nfs/dbraw/zinc/87/39/35/877873935.db2.gz OKWNBVBZIQUQKY-CQSZACIVSA-N 1 0 380.275 3.515 20 30 GHEDRO N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000788180321 877874122 /nfs/dbraw/zinc/87/41/22/877874122.db2.gz OKWNBVBZIQUQKY-AWEZNQCLSA-N 1 0 380.275 3.515 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000110174534 877893830 /nfs/dbraw/zinc/89/38/30/877893830.db2.gz BCTDSGQQHOZYOX-NRFANRHFSA-N 1 0 399.922 3.984 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nc1 ZINC000492987677 877948645 /nfs/dbraw/zinc/94/86/45/877948645.db2.gz AOAAOKRJVRVQHH-OALUTQOASA-N 1 0 392.547 3.509 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCC23CCCC3)c1C#N ZINC000451462694 878007933 /nfs/dbraw/zinc/00/79/33/878007933.db2.gz VYZHJZJTIVRKJN-IBGZPJMESA-N 1 0 380.492 3.869 20 30 GHEDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451521728 878083738 /nfs/dbraw/zinc/08/37/38/878083738.db2.gz FKYQGJSOENDWTG-QAPCUYQASA-N 1 0 389.565 3.964 20 30 GHEDRO COc1ccc(C(C)=NN[C@H](CO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000788470809 878088211 /nfs/dbraw/zinc/08/82/11/878088211.db2.gz ZQLWNFKMKZHMDO-JOCHJYFZSA-N 1 0 381.520 3.728 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000615763256 878092436 /nfs/dbraw/zinc/09/24/36/878092436.db2.gz IRPJYNPZRSCQCC-VXKWHMMOSA-N 1 0 395.453 3.995 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(O)c(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183149935 912310633 /nfs/dbraw/zinc/31/06/33/912310633.db2.gz WPVXCNPRHKPIJK-KRWDZBQOSA-N 1 0 395.503 3.944 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)o2)cc1 ZINC000451543170 878112498 /nfs/dbraw/zinc/11/24/98/878112498.db2.gz BDCVSCZLISEMTE-SFHVURJKSA-N 1 0 389.415 3.896 20 30 GHEDRO C#CCC1(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000788513735 878118658 /nfs/dbraw/zinc/11/86/58/878118658.db2.gz SKGAOAGUIAPOLC-HXUWFJFHSA-N 1 0 382.548 3.976 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460580498 878222202 /nfs/dbraw/zinc/22/22/02/878222202.db2.gz WPVRWRARZSCTNM-IRFCIJBXSA-N 1 0 395.551 3.662 20 30 GHEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cn2)n1 ZINC000285537078 912330918 /nfs/dbraw/zinc/33/09/18/912330918.db2.gz FVKOTZWSHZHHIL-UHFFFAOYSA-N 1 0 386.503 3.514 20 30 GHEDRO CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000068322546 878332225 /nfs/dbraw/zinc/33/22/25/878332225.db2.gz JKIABGBDXLJTLI-KRWDZBQOSA-N 1 0 398.470 3.637 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000110631535 878333337 /nfs/dbraw/zinc/33/33/37/878333337.db2.gz VWLVUBMXNVGIHU-IBGZPJMESA-N 1 0 391.515 3.680 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 ZINC000180044294 878399447 /nfs/dbraw/zinc/39/94/47/878399447.db2.gz RRSJTPJPNXSOHG-HXUWFJFHSA-N 1 0 377.488 3.814 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285568253 912343044 /nfs/dbraw/zinc/34/30/44/912343044.db2.gz NOIVARFKSPXWBQ-KURKYZTESA-N 1 0 386.565 3.578 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000180071708 878466334 /nfs/dbraw/zinc/46/63/34/878466334.db2.gz CHNBZSVRJKCDTO-PKOBYXMFSA-N 1 0 378.476 3.764 20 30 GHEDRO N#CC1(CS(=O)(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CCCCC1 ZINC000616081345 878486663 /nfs/dbraw/zinc/48/66/63/878486663.db2.gz ZVNSOTIBMCRPTK-HXUWFJFHSA-N 1 0 389.565 3.607 20 30 GHEDRO CC1(C)C[C@H](O)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000451802427 878487815 /nfs/dbraw/zinc/48/78/15/878487815.db2.gz NSWHYTUFMPNPSO-OAHLLOKOSA-N 1 0 389.565 3.700 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000852669679 878504071 /nfs/dbraw/zinc/50/40/71/878504071.db2.gz RHIGYRROHQUYPQ-IRLDBZIGSA-N 1 0 379.548 3.734 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1 ZINC000537902177 878505375 /nfs/dbraw/zinc/50/53/75/878505375.db2.gz LPOSJCYWTZZUBO-UHFFFAOYSA-N 1 0 387.842 3.989 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1csc(C)n1)C(=O)CO2 ZINC001275119710 912357194 /nfs/dbraw/zinc/35/71/94/912357194.db2.gz VZRVXXSJDMSCIJ-HXUWFJFHSA-N 1 0 379.570 3.615 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732275 878562501 /nfs/dbraw/zinc/56/25/01/878562501.db2.gz SWNJZSPODZQREO-SJORKVTESA-N 1 0 377.897 3.559 20 30 GHEDRO C=C(C)COCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000537956430 878584574 /nfs/dbraw/zinc/58/45/74/878584574.db2.gz QHMLRSSTTSPPOE-HNNXBMFYSA-N 1 0 387.261 3.687 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2ccc3c(cc[nH]c3=O)c2)c1C ZINC000789085728 878601409 /nfs/dbraw/zinc/60/14/09/878601409.db2.gz MJVGIDUTVWUBRJ-NRFANRHFSA-N 1 0 391.519 3.877 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)NC1(c2cccc(Br)c2)CCCCC1 ZINC000852848955 878634130 /nfs/dbraw/zinc/63/41/30/878634130.db2.gz WGHUOXONZLJWHT-UHFFFAOYSA-N 1 0 389.337 3.728 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000852898862 878651634 /nfs/dbraw/zinc/65/16/34/878651634.db2.gz QKBUGEIHKWSCSS-JCOOBLOPSA-N 1 0 384.520 3.511 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000238065124 878664426 /nfs/dbraw/zinc/66/44/26/878664426.db2.gz BRSWNXJWDUXGJI-JOCHJYFZSA-N 1 0 393.487 3.776 20 30 GHEDRO C[NH+](C)CCN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000177480650 878722415 /nfs/dbraw/zinc/72/24/15/878722415.db2.gz WFFHDUWZYQPYFL-UHFFFAOYSA-N 1 0 381.442 3.573 20 30 GHEDRO CC/C(=C\C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000746799631 878802206 /nfs/dbraw/zinc/80/22/06/878802206.db2.gz HXQVZVNSBYARPE-LTGZKZEYSA-N 1 0 391.515 3.951 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccccc3C#N)cc2)CC1 ZINC000789373004 878911956 /nfs/dbraw/zinc/91/19/56/878911956.db2.gz CHZKBRFYIONBLR-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)C1=C(C)C(C(C)=O)C(C)=N1)C(=S)NC1(C)CC1 ZINC000789418306 878925326 /nfs/dbraw/zinc/92/53/26/878925326.db2.gz DBJGWLXYGGBZRA-UHFFFAOYSA-O 1 0 398.552 3.884 20 30 GHEDRO C[C@H]1[C@H](NC(=O)c2cccc(C#N)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000452128451 878980312 /nfs/dbraw/zinc/98/03/12/878980312.db2.gz ULFOQNMUPRUSSR-KBXCAEBGSA-N 1 0 398.304 3.714 20 30 GHEDRO CCC(CC)[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCOCC1 ZINC000193051606 879204739 /nfs/dbraw/zinc/20/47/39/879204739.db2.gz QZSBIELAJHSJRY-FQEVSTJZSA-N 1 0 386.540 3.746 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000272161714 879272480 /nfs/dbraw/zinc/27/24/80/879272480.db2.gz HWLVPADWDXJEAV-SFHVURJKSA-N 1 0 391.515 3.940 20 30 GHEDRO C=CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)c1nc2c(s1)CCCC2 ZINC000531256162 879443747 /nfs/dbraw/zinc/44/37/47/879443747.db2.gz WDCGYDRGWBENCD-UHFFFAOYSA-N 1 0 389.565 3.576 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCC(Oc3ccc(C#N)cn3)CC1)O[C@@H](C)C2 ZINC000538429156 879463727 /nfs/dbraw/zinc/46/37/27/879463727.db2.gz NCJKISOBOYBIIR-VMEOHVCESA-N 1 0 393.487 3.765 20 30 GHEDRO Cn1c(C#N)ccc1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452455073 879470089 /nfs/dbraw/zinc/47/00/89/879470089.db2.gz JFWRRAZUMLSKAI-QFIPXVFZSA-N 1 0 390.531 3.660 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[NH+](C3CCCC3)CC2)c1C#N ZINC000027120250 879551393 /nfs/dbraw/zinc/55/13/93/879551393.db2.gz USBCXPNYOYRUAT-UHFFFAOYSA-N 1 0 397.567 3.590 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000854314548 879715735 /nfs/dbraw/zinc/71/57/35/879715735.db2.gz PIRVXXRRWRXJOS-QGZVFWFLSA-N 1 0 379.464 3.740 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@H]2CCCC[C@H]2C)cc1 ZINC000265967425 879809407 /nfs/dbraw/zinc/80/94/07/879809407.db2.gz KFEUNFPCOLZDIH-APWZRJJASA-O 1 0 399.584 3.767 20 30 GHEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cccc2[nH]ccc21 ZINC000494050148 879854435 /nfs/dbraw/zinc/85/44/35/879854435.db2.gz PONOAYDJEBTSAK-UHFFFAOYSA-N 1 0 399.416 3.786 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2cc(Br)ccc2c1 ZINC001275170351 912506123 /nfs/dbraw/zinc/50/61/23/912506123.db2.gz VTKCQRGUJHRJNR-WOJBJXKFSA-N 1 0 397.316 3.801 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000123054133 879909244 /nfs/dbraw/zinc/90/92/44/879909244.db2.gz QNRSKJANVUWDDU-UHFFFAOYSA-N 1 0 377.488 3.764 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc2ccccc2n1CC#N ZINC000609168435 879965973 /nfs/dbraw/zinc/96/59/73/879965973.db2.gz PAFCRPRYPKKJKM-UHFFFAOYSA-N 1 0 378.451 3.508 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1C#N ZINC000152940062 879985613 /nfs/dbraw/zinc/98/56/13/879985613.db2.gz JTUXPDCXJVTPLE-HDICACEKSA-N 1 0 380.492 3.678 20 30 GHEDRO C#CC[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000790797731 880006810 /nfs/dbraw/zinc/00/68/10/880006810.db2.gz VYXLWQKVZIIELI-HSZRJFAPSA-N 1 0 391.515 3.723 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494220808 880015634 /nfs/dbraw/zinc/01/56/34/880015634.db2.gz SJSQXBHOSLAVQM-MJGOQNOKSA-N 1 0 375.806 3.551 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C\Sc3ccccc3)CC2)cc1 ZINC000790945632 880092181 /nfs/dbraw/zinc/09/21/81/880092181.db2.gz GFFWDQFYHLIDIC-WJDWOHSUSA-N 1 0 377.513 3.899 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3ccc(C4(C#N)CC4)cn3)nc3ccc(C)cc3n12 ZINC001170146856 880140635 /nfs/dbraw/zinc/14/06/35/880140635.db2.gz SAINHBCUAWMYGS-UHFFFAOYSA-N 1 0 397.486 3.546 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000183950886 880189582 /nfs/dbraw/zinc/18/95/82/880189582.db2.gz YJZHGDMAEVCPOM-UHFFFAOYSA-N 1 0 397.494 3.854 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000531628908 880215462 /nfs/dbraw/zinc/21/54/62/880215462.db2.gz PVIHXOJBAAPECE-UHFFFAOYSA-N 1 0 395.459 3.788 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccccc1 ZINC000286065502 912555963 /nfs/dbraw/zinc/55/59/63/912555963.db2.gz ATIFEXPKOCFTAU-LBPRGKRZSA-O 1 0 382.431 3.715 20 30 GHEDRO CCCCN1CC[C@]2(CCCN2Cc2cc(C#N)ccc2Br)C1=O ZINC001275190960 912568678 /nfs/dbraw/zinc/56/86/78/912568678.db2.gz DSNNZWQTERFWKY-LJQANCHMSA-N 1 0 390.325 3.688 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000598218036 880481496 /nfs/dbraw/zinc/48/14/96/880481496.db2.gz CWZZHMQWRPJWAS-IBGZPJMESA-N 1 0 393.487 3.867 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000113332719 880518942 /nfs/dbraw/zinc/51/89/42/880518942.db2.gz XXPLVVMAMWDJCU-LJQANCHMSA-N 1 0 391.515 3.806 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000791714842 880642927 /nfs/dbraw/zinc/64/29/27/880642927.db2.gz PHCJSBURMBREBY-MGPUTAFESA-N 1 0 376.460 3.672 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)Cc2ccccc2CC#N)CC1 ZINC000791784789 880719962 /nfs/dbraw/zinc/71/99/62/880719962.db2.gz PXYFVSXSMBEJOE-UHFFFAOYSA-N 1 0 390.531 3.712 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)C1=O ZINC001275207747 912623250 /nfs/dbraw/zinc/62/32/50/912623250.db2.gz ZRPBIJRUNPLQDZ-LJQANCHMSA-N 1 0 381.303 3.911 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C[N@@H+](C)CCCC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453461213 880961572 /nfs/dbraw/zinc/96/15/72/880961572.db2.gz GATXHTOYKRTBLH-JOCHJYFZSA-N 1 0 389.588 3.828 20 30 GHEDRO C#CCCOc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792195012 880981135 /nfs/dbraw/zinc/98/11/35/880981135.db2.gz CLYUSEMXDHRTQQ-UHFFFAOYSA-N 1 0 394.334 3.907 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000453470118 880981560 /nfs/dbraw/zinc/98/15/60/880981560.db2.gz ZJTRUOVGFFGZQO-UXHICEINSA-N 1 0 387.572 3.798 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000499107758 881151831 /nfs/dbraw/zinc/15/18/31/881151831.db2.gz VPAYKRQUYXGKTJ-AVRDEDQJSA-N 1 0 388.515 3.757 20 30 GHEDRO COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000537626508 881278462 /nfs/dbraw/zinc/27/84/62/881278462.db2.gz VJXRHQTUIPPZBS-WTOYTKOKSA-N 1 0 378.472 3.899 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c(OC)c1 ZINC000499157340 881290865 /nfs/dbraw/zinc/29/08/65/881290865.db2.gz UKPDNNLBDYBOQP-FQEVSTJZSA-N 1 0 382.504 3.530 20 30 GHEDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214106 883128681 /nfs/dbraw/zinc/12/86/81/883128681.db2.gz QYUNYDBVVRUQMA-UWJYYQICSA-N 1 0 387.449 3.952 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134948024 883129168 /nfs/dbraw/zinc/12/91/68/883129168.db2.gz LCDRMVPSFZWVFQ-YLJYHZDGSA-N 1 0 378.438 3.885 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(C)(C)c2ccc(C#N)cc2)cc1 ZINC000858492039 883143163 /nfs/dbraw/zinc/14/31/63/883143163.db2.gz SDQHXCFABDTUQW-UHFFFAOYSA-N 1 0 393.531 3.873 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H](C)C1 ZINC000476823721 883222672 /nfs/dbraw/zinc/22/26/72/883222672.db2.gz HAKZTCAVALESHZ-PGRDOPGGSA-N 1 0 376.504 3.675 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnn(Cc4ccccc4)c3)C2)c(F)c1 ZINC000609466608 883229421 /nfs/dbraw/zinc/22/94/21/883229421.db2.gz SRZYJBKTDAKLRR-OAQYLSRUSA-N 1 0 389.478 3.701 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000183107092 883239007 /nfs/dbraw/zinc/23/90/07/883239007.db2.gz ATWNJVQOJTWTKZ-WMZOPIPTSA-N 1 0 381.451 3.967 20 30 GHEDRO N#CCc1ccccc1CC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000777045747 883249330 /nfs/dbraw/zinc/24/93/30/883249330.db2.gz XBRBAPRQNJQXTG-QFIPXVFZSA-N 1 0 399.498 3.577 20 30 GHEDRO N#CCc1ccccc1CC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000777045746 883249869 /nfs/dbraw/zinc/24/98/69/883249869.db2.gz XBRBAPRQNJQXTG-JOCHJYFZSA-N 1 0 399.498 3.577 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000609515986 883286079 /nfs/dbraw/zinc/28/60/79/883286079.db2.gz XUXGHDJBEAGTBP-PMACEKPBSA-N 1 0 375.472 3.902 20 30 GHEDRO N#Cc1cc2ccccc2nc1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804807972 883362045 /nfs/dbraw/zinc/36/20/45/883362045.db2.gz NWEARAYOOOSXDV-QHCPKHFHSA-N 1 0 397.526 3.503 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000609635031 883491089 /nfs/dbraw/zinc/49/10/89/883491089.db2.gz KUYFFZZAMAKRGM-OAQYLSRUSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1cnc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC000477026851 883566438 /nfs/dbraw/zinc/56/64/38/883566438.db2.gz JDXDGVORKHUYCD-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO CC[NH+]1CCC(n2nccc2NC(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 ZINC000859124591 883601873 /nfs/dbraw/zinc/60/18/73/883601873.db2.gz NXUGWDUBRRZNLA-UHFFFAOYSA-N 1 0 391.519 3.862 20 30 GHEDRO C#CC[N@@H+](CCCCC(=O)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859139827 883613338 /nfs/dbraw/zinc/61/33/38/883613338.db2.gz JLHAHKQBVNZBSX-MRXNPFEDSA-N 1 0 380.282 3.551 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OC(F)(F)F)c1 ZINC000477051696 883617528 /nfs/dbraw/zinc/61/75/28/883617528.db2.gz VRQKZTMIUOXGFG-UHFFFAOYSA-N 1 0 391.393 3.661 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000805156787 883634292 /nfs/dbraw/zinc/63/42/92/883634292.db2.gz BBKYUEWZQPZZKJ-HSZRJFAPSA-N 1 0 392.478 3.505 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000551362731 883720693 /nfs/dbraw/zinc/72/06/93/883720693.db2.gz MJCOACKXCUJAJO-UHFFFAOYSA-N 1 0 385.533 3.701 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000136170782 883724901 /nfs/dbraw/zinc/72/49/01/883724901.db2.gz GMFCXHUOQKYPLU-IFMALSPDSA-N 1 0 394.494 3.869 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)Cc2ccccc2CC#N)[NH+](C)C)cc1 ZINC000805310669 883777699 /nfs/dbraw/zinc/77/76/99/883777699.db2.gz UAUWLWXCBBUNAO-QHCPKHFHSA-N 1 0 377.532 3.913 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)c(C)c2)CC1 ZINC000610317859 883777984 /nfs/dbraw/zinc/77/79/84/883777984.db2.gz MNKLLNAZWPXRTN-SFHVURJKSA-N 1 0 391.519 3.891 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000859367880 883778610 /nfs/dbraw/zinc/77/86/10/883778610.db2.gz OELAZQVEBRSOIC-DGCLKSJQSA-N 1 0 399.800 3.716 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(CC#N)cc3Cl)ccc21 ZINC000453937339 883787884 /nfs/dbraw/zinc/78/78/84/883787884.db2.gz DTLUEEWGNHHBQS-LJQANCHMSA-N 1 0 396.878 3.532 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@H]1C(F)(F)F ZINC000859605016 883928522 /nfs/dbraw/zinc/92/85/22/883928522.db2.gz AUHVOWXTWPUXGN-GBJTYRQASA-N 1 0 375.435 3.704 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000805781308 884063224 /nfs/dbraw/zinc/06/32/24/884063224.db2.gz YLWDTOVXZSBCCE-ZJSXRUAMSA-N 1 0 389.543 3.927 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190308875 884065277 /nfs/dbraw/zinc/06/52/77/884065277.db2.gz ZILITNPYWGURNM-UHFFFAOYSA-N 1 0 394.910 3.869 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000805785323 884068819 /nfs/dbraw/zinc/06/88/19/884068819.db2.gz CWHVQHIFSLHMRQ-HSZRJFAPSA-N 1 0 381.564 3.919 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N ZINC000805793892 884082097 /nfs/dbraw/zinc/08/20/97/884082097.db2.gz ONHVMYAJZWWXFG-QFIPXVFZSA-N 1 0 385.508 3.790 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000498361395 884154782 /nfs/dbraw/zinc/15/47/82/884154782.db2.gz ATPNJKPMMPACSJ-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000494896474 884174754 /nfs/dbraw/zinc/17/47/54/884174754.db2.gz WENNRBZYBFPGIK-HKUYNNGSSA-N 1 0 388.531 3.779 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)C[C@H]1c1ccc(Br)cc1 ZINC000897625575 884196852 /nfs/dbraw/zinc/19/68/52/884196852.db2.gz GGZNCIVTDLINQP-ZBFHGGJFSA-N 1 0 391.338 3.702 20 30 GHEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476298352 884391851 /nfs/dbraw/zinc/39/18/51/884391851.db2.gz UFUXUEHCMYXOFV-GPJFCIFZSA-N 1 0 386.540 3.524 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495069838 884495466 /nfs/dbraw/zinc/49/54/66/884495466.db2.gz UWKJLNHTHZJDQZ-YWZLYKJASA-N 1 0 393.936 3.607 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@H]1Oc1ccccc1 ZINC000249438122 912832712 /nfs/dbraw/zinc/83/27/12/912832712.db2.gz LHSXRISMAKZQRM-YTFSRNRJSA-N 1 0 379.504 3.751 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=Nn2cnnc2-c2ccccc2)c1C ZINC000914695404 884538112 /nfs/dbraw/zinc/53/81/12/884538112.db2.gz TUNAOHKXUKOWLO-NRFANRHFSA-N 1 0 376.508 3.730 20 30 GHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Oc1ccc(Cl)cc1 ZINC000263292925 884628935 /nfs/dbraw/zinc/62/89/35/884628935.db2.gz XCTFWDQFXGWZNB-ZDUSSCGKSA-N 1 0 375.856 3.695 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000806430954 884667065 /nfs/dbraw/zinc/66/70/65/884667065.db2.gz GNUABGZMWWREQP-OAQYLSRUSA-N 1 0 390.531 3.585 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3ccc(C#N)s3)cc2)C[C@H](C)O1 ZINC000898290209 884699731 /nfs/dbraw/zinc/69/97/31/884699731.db2.gz REYBEOWJZPCGJQ-IYBDPMFKSA-N 1 0 383.517 3.501 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(c3nc4cc(Cl)ccn4c3C#N)C1)CCCC2 ZINC000286693808 912857091 /nfs/dbraw/zinc/85/70/91/912857091.db2.gz NZXGPNLPQDIPEC-OAHLLOKOSA-N 1 0 380.883 3.695 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 ZINC000610614182 884869808 /nfs/dbraw/zinc/86/98/08/884869808.db2.gz FARIRUWPNAJMAE-STQMWFEESA-N 1 0 379.304 3.559 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1 ZINC000106035187 884936766 /nfs/dbraw/zinc/93/67/66/884936766.db2.gz KDWNXACTTVRTAP-UHFFFAOYSA-N 1 0 392.425 3.661 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 ZINC001183930583 912890509 /nfs/dbraw/zinc/89/05/09/912890509.db2.gz TVVIRAXNDIBTRS-FQEVSTJZSA-N 1 0 392.503 3.985 20 30 GHEDRO C[C@@]1(Br)C[C@H]1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000860856039 885054717 /nfs/dbraw/zinc/05/47/17/885054717.db2.gz DHHLCZALOCKSLM-FUHWJXTLSA-N 1 0 391.309 3.509 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000153391502 885054814 /nfs/dbraw/zinc/05/48/14/885054814.db2.gz WOSXKEWAJUIOON-OAHLLOKOSA-N 1 0 390.837 3.820 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460367003 885065551 /nfs/dbraw/zinc/06/55/51/885065551.db2.gz BOMDSRODBOYUID-RTBURBONSA-N 1 0 392.551 3.776 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460375770 885097291 /nfs/dbraw/zinc/09/72/91/885097291.db2.gz YWBMPRAPUCFQJA-XWSJACJDSA-N 1 0 389.588 3.692 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(C)C ZINC000914879151 885100356 /nfs/dbraw/zinc/10/03/56/885100356.db2.gz AFKQYFGTTWMCRP-FQEVSTJZSA-N 1 0 384.524 3.819 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460379870 885128815 /nfs/dbraw/zinc/12/88/15/885128815.db2.gz KLRXOXRSNIMRKS-UHFFFAOYSA-N 1 0 394.498 3.701 20 30 GHEDRO C/C=C\c1ccc(OC[C@@H](O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000556511182 885170963 /nfs/dbraw/zinc/17/09/63/885170963.db2.gz DNQWJCCPCAKLBA-BOYDRYHPSA-N 1 0 378.472 3.619 20 30 GHEDRO C=C(C)Cn1c(CCCC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460382194 885197062 /nfs/dbraw/zinc/19/70/62/885197062.db2.gz TZJGPZSDMIGGCU-UHFFFAOYSA-N 1 0 392.551 3.781 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000110383925 885219796 /nfs/dbraw/zinc/21/97/96/885219796.db2.gz GQHGEOAQBACJPR-IRFPFTSISA-N 1 0 389.499 3.637 20 30 GHEDRO N#Cc1ccc(F)c(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000104060562 885261253 /nfs/dbraw/zinc/26/12/53/885261253.db2.gz GSMSTXYSSMOTFY-MRXNPFEDSA-N 1 0 384.430 3.870 20 30 GHEDRO C=CCCSCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001130882009 885319489 /nfs/dbraw/zinc/31/94/89/885319489.db2.gz VORDWQKHVMGFHT-SFHVURJKSA-N 1 0 386.483 3.867 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000807465396 885458385 /nfs/dbraw/zinc/45/83/85/885458385.db2.gz BRKWJGNHKUMULF-JOCHJYFZSA-N 1 0 381.495 3.534 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000131096664 885495026 /nfs/dbraw/zinc/49/50/26/885495026.db2.gz HFHZSSMRSBONTF-YADHBBJMSA-N 1 0 384.568 3.505 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1OC ZINC000807704115 885615382 /nfs/dbraw/zinc/61/53/82/885615382.db2.gz TYXHTPGHYFFXQH-LOULHMMLSA-N 1 0 398.478 3.831 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@H](CCO)C2CCCCC2)sc2c1CCCCC2 ZINC000495390963 885647752 /nfs/dbraw/zinc/64/77/52/885647752.db2.gz JZJBZFGWOYGCFQ-GOSISDBHSA-N 1 0 389.565 3.748 20 30 GHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000495437291 885801352 /nfs/dbraw/zinc/80/13/52/885801352.db2.gz BBEVSZCIVLFDPS-NSISKUIASA-N 1 0 379.508 3.733 20 30 GHEDRO C#Cc1ccc(-c2nc(-c3ccc(N4CCC[N@@H+](C)CC4)c(Cl)c3)no2)nc1 ZINC000762247627 885837284 /nfs/dbraw/zinc/83/72/84/885837284.db2.gz NXRJPTIAMULBQZ-UHFFFAOYSA-N 1 0 393.878 3.575 20 30 GHEDRO Cc1ccccc1C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193392970 885910756 /nfs/dbraw/zinc/91/07/56/885910756.db2.gz RTWAUSRPKGHIIP-LJQANCHMSA-N 1 0 378.520 3.571 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC001275286020 912987738 /nfs/dbraw/zinc/98/77/38/912987738.db2.gz RQYSUQRGVOJDTQ-LEWJYISDSA-N 1 0 389.430 3.688 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001168208173 886040641 /nfs/dbraw/zinc/04/06/41/886040641.db2.gz KJFSLIBFZSKGOP-WMZHIEFXSA-N 1 0 375.516 3.837 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487932609 886125500 /nfs/dbraw/zinc/12/55/00/886125500.db2.gz HIZBBVRJWHYUQK-UHFFFAOYSA-N 1 0 379.302 3.564 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)C1 ZINC000862191243 886202117 /nfs/dbraw/zinc/20/21/17/886202117.db2.gz LGEKIXDVNKMDFA-JOCHJYFZSA-N 1 0 375.516 3.611 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000498973550 886259012 /nfs/dbraw/zinc/25/90/12/886259012.db2.gz HJOHLLPCFGBHMY-UHFFFAOYSA-N 1 0 396.457 3.946 20 30 GHEDRO Cc1nc(Cl)c(Cl)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000808406339 886331764 /nfs/dbraw/zinc/33/17/64/886331764.db2.gz FXGUHELXODXIGW-UHFFFAOYSA-N 1 0 391.302 3.773 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC001168233914 886361169 /nfs/dbraw/zinc/36/11/69/886361169.db2.gz ISGAZBUNSOWBFF-SFHVURJKSA-N 1 0 392.503 3.645 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762557403 886387054 /nfs/dbraw/zinc/38/70/54/886387054.db2.gz DYYJHYVXEFVCDR-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)c(Br)cc3C)C2)C1=O ZINC001275294724 913049413 /nfs/dbraw/zinc/04/94/13/913049413.db2.gz PQOKYBLZADDAKA-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000193516485 886507724 /nfs/dbraw/zinc/50/77/24/886507724.db2.gz AIRCMZPYUJLPFE-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001184205643 913071189 /nfs/dbraw/zinc/07/11/89/913071189.db2.gz BETPGFHNEHCNNP-SHTZXODSSA-N 1 0 378.900 3.745 20 30 GHEDRO CC[N@H+](C)[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000104918337 886724545 /nfs/dbraw/zinc/72/45/45/886724545.db2.gz JGEOTVXROVHEQM-JOCHJYFZSA-N 1 0 377.488 3.621 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000808788326 886780576 /nfs/dbraw/zinc/78/05/76/886780576.db2.gz LGPXKUBUNVGFAT-YUXAGFNASA-N 1 0 391.515 3.782 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)cc1 ZINC000153688103 887295354 /nfs/dbraw/zinc/29/53/54/887295354.db2.gz ZIYGDKPWPXDCNS-HXUWFJFHSA-N 1 0 383.879 3.787 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NCc3cc(C#N)ccc3N(C)C)c(C)c2)CC1 ZINC000864018534 887522587 /nfs/dbraw/zinc/52/25/87/887522587.db2.gz WQJZFZLHSYJRPY-UHFFFAOYSA-N 1 0 377.536 3.687 20 30 GHEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000809628664 887630161 /nfs/dbraw/zinc/63/01/61/887630161.db2.gz OQSKPIBSEOJABV-UHFFFAOYSA-N 1 0 385.305 3.557 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC000809772274 887763427 /nfs/dbraw/zinc/76/34/27/887763427.db2.gz SJELULSSNVOPLH-RDJZCZTQSA-N 1 0 376.497 3.748 20 30 GHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508885140 887979265 /nfs/dbraw/zinc/97/92/65/887979265.db2.gz MRJKZOXCSOESCA-UHFFFAOYSA-N 1 0 395.551 3.540 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000810192377 888277724 /nfs/dbraw/zinc/27/77/24/888277724.db2.gz MMQQKTDWTMAELX-GOSISDBHSA-N 1 0 385.899 3.608 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000794834386 888291742 /nfs/dbraw/zinc/29/17/42/888291742.db2.gz UXVHENIOBAVRLR-IBGZPJMESA-N 1 0 394.475 3.954 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042432 888355512 /nfs/dbraw/zinc/35/55/12/888355512.db2.gz ICTSQZARLBXZJH-SFHVURJKSA-N 1 0 377.488 3.993 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)ccc1OC ZINC000865460932 888365852 /nfs/dbraw/zinc/36/58/52/888365852.db2.gz QZIGRRZSRZPHRH-LJQANCHMSA-N 1 0 378.476 3.604 20 30 GHEDRO NC(=NOCc1ccn(-c2ccccc2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000729674045 888382876 /nfs/dbraw/zinc/38/28/76/888382876.db2.gz HHZNHBMAKSJMDA-UHFFFAOYSA-N 1 0 399.454 3.683 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000810333808 888404801 /nfs/dbraw/zinc/40/48/01/888404801.db2.gz LSBANXVPOHEAJW-NRFANRHFSA-N 1 0 382.439 3.897 20 30 GHEDRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNCC[NH+]1CCCCC1 ZINC000915973658 888590766 /nfs/dbraw/zinc/59/07/66/888590766.db2.gz LKQYPIAHEFLVKD-UHFFFAOYSA-N 1 0 394.350 3.956 20 30 GHEDRO COc1ccc(C[NH2+]CCc2cn(C)c3ncccc23)cc1OCCCC#N ZINC000865812314 888590831 /nfs/dbraw/zinc/59/08/31/888590831.db2.gz NPPWUVWEMDXOSB-UHFFFAOYSA-N 1 0 378.476 3.597 20 30 GHEDRO Cc1ncc(CO)c(/C=N\Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1O ZINC000915980119 888594285 /nfs/dbraw/zinc/59/42/85/888594285.db2.gz XEHMIHCEFPTSMB-YXMPVBMLSA-N 1 0 381.520 3.685 20 30 GHEDRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000237483494 888690516 /nfs/dbraw/zinc/69/05/16/888690516.db2.gz VPUUFHKTTFQCSG-SFHVURJKSA-N 1 0 377.488 3.680 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000153835349 888696356 /nfs/dbraw/zinc/69/63/56/888696356.db2.gz BYIBAIJYQAESGF-WMBINYHTSA-N 1 0 396.531 3.749 20 30 GHEDRO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810656052 888719910 /nfs/dbraw/zinc/71/99/10/888719910.db2.gz HJADTHYOYQEANY-AVRDEDQJSA-N 1 0 384.882 3.812 20 30 GHEDRO Cn1ccc([C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)c2ccc(F)cc2)n1 ZINC000866449692 888883297 /nfs/dbraw/zinc/88/32/97/888883297.db2.gz ZLSILPBECYVJCR-HSZRJFAPSA-N 1 0 389.478 3.779 20 30 GHEDRO C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4ccc(C#N)cc4)nc(N)c32)C1 ZINC000532753174 888884556 /nfs/dbraw/zinc/88/45/56/888884556.db2.gz NOMXBHCZMXFODJ-CQSZACIVSA-N 1 0 391.544 3.944 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000287371811 913296225 /nfs/dbraw/zinc/29/62/25/913296225.db2.gz XFWZETKGMFTBOW-UHFFFAOYSA-N 1 0 396.516 3.569 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cc(C)ccc1O ZINC000916306800 888909128 /nfs/dbraw/zinc/90/91/28/888909128.db2.gz BFLAMAXKLWIZNA-UHFFFAOYSA-N 1 0 396.560 3.553 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000810838734 888926344 /nfs/dbraw/zinc/92/63/44/888926344.db2.gz RGVYOETWZGAMLM-SFTDATJTSA-N 1 0 376.456 3.921 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000810843533 888934624 /nfs/dbraw/zinc/93/46/24/888934624.db2.gz GAEAEBLEZBILQZ-RBBKRZOGSA-N 1 0 376.456 3.921 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 ZINC000032813734 888946018 /nfs/dbraw/zinc/94/60/18/888946018.db2.gz IPWIJWSAEMEANV-UHFFFAOYSA-O 1 0 398.508 3.618 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)O[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000810851995 888958969 /nfs/dbraw/zinc/95/89/69/888958969.db2.gz VFBYBXXFZJONHZ-IFMALSPDSA-N 1 0 376.456 3.921 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c(C)noc1CC ZINC000916409597 888975811 /nfs/dbraw/zinc/97/58/11/888975811.db2.gz JULTZPGULQRSEE-UHFFFAOYSA-N 1 0 375.542 3.644 20 30 GHEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532825001 889020098 /nfs/dbraw/zinc/02/00/98/889020098.db2.gz AUMLLVQAOPWAQE-FGZHOGPDSA-N 1 0 382.529 3.990 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810983698 889073966 /nfs/dbraw/zinc/07/39/66/889073966.db2.gz GFNWPULOLIMKRU-NRFANRHFSA-N 1 0 375.516 3.714 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000868176909 889335634 /nfs/dbraw/zinc/33/56/34/889335634.db2.gz UNSHUSMJLFKOKI-UHFFFAOYSA-N 1 0 396.560 3.716 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C(F)(F)F)c1 ZINC000868210063 889354568 /nfs/dbraw/zinc/35/45/68/889354568.db2.gz MTTXHGHXSNCSAK-MSOLQXFVSA-N 1 0 394.441 3.583 20 30 GHEDRO C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000533046526 889610874 /nfs/dbraw/zinc/61/08/74/889610874.db2.gz FQNGUKCEJYGSSH-ISKFKSNPSA-N 1 0 375.516 3.930 20 30 GHEDRO C[C@H]1C(N=Nc2nc(Br)cn3ccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000811643508 889838309 /nfs/dbraw/zinc/83/83/09/889838309.db2.gz DZNJAABISBVVNR-ZDUSSCGKSA-N 1 0 399.296 3.554 20 30 GHEDRO FC(F)(F)c1ccc(Br)c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000811646101 889840772 /nfs/dbraw/zinc/84/07/72/889840772.db2.gz KPWKZOGTXINZRC-CHWSQXEVSA-N 1 0 389.219 3.662 20 30 GHEDRO N#CCc1ccsc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000869291611 889870216 /nfs/dbraw/zinc/87/02/16/889870216.db2.gz GTJCCIXWSVRQTI-LJQANCHMSA-N 1 0 379.529 3.846 20 30 GHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(F)cc1Br ZINC000287533976 913391448 /nfs/dbraw/zinc/39/14/48/913391448.db2.gz JLTHZMTVCWQUTC-UHFFFAOYSA-N 1 0 385.281 3.596 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC001184732891 913401359 /nfs/dbraw/zinc/40/13/59/913401359.db2.gz IMHRWSZZLPLJKN-VLCRHTCISA-N 1 0 389.503 3.718 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000125769498 890135832 /nfs/dbraw/zinc/13/58/32/890135832.db2.gz JXXZCGKZXPMBET-KBPBESRZSA-N 1 0 383.414 3.967 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001184781066 913429522 /nfs/dbraw/zinc/42/95/22/913429522.db2.gz BRKIYUDHNKANML-IBGZPJMESA-N 1 0 386.883 3.653 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000795139452 890457919 /nfs/dbraw/zinc/45/79/19/890457919.db2.gz NAMNNWJXGGNVST-JOCHJYFZSA-N 1 0 376.529 3.853 20 30 GHEDRO N#Cc1ccc(NC(=O)CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1Cl ZINC000533408024 890476564 /nfs/dbraw/zinc/47/65/64/890476564.db2.gz JOWVATJWSLHDEN-KRWDZBQOSA-N 1 0 388.943 3.738 20 30 GHEDRO Cc1nc(C#N)cc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001184821067 913461045 /nfs/dbraw/zinc/46/10/45/913461045.db2.gz QENHOJYYYJYGHO-UHFFFAOYSA-N 1 0 398.514 3.591 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000533446938 890610504 /nfs/dbraw/zinc/61/05/04/890610504.db2.gz MQQWTCDIXQEVLK-INIZCTEOSA-N 1 0 383.467 3.843 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000747797704 890818197 /nfs/dbraw/zinc/81/81/97/890818197.db2.gz FFSWPYYIRGSKSR-UHFFFAOYSA-N 1 0 384.564 3.949 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170685454 890937583 /nfs/dbraw/zinc/93/75/83/890937583.db2.gz NIEZMJGDMOSWOO-KRWDZBQOSA-N 1 0 376.447 3.543 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(CC#N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000871724775 890992550 /nfs/dbraw/zinc/99/25/50/890992550.db2.gz IHUXCYNVLIWKJH-FXAWDEMLSA-N 1 0 377.492 3.664 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849465 891040947 /nfs/dbraw/zinc/04/09/47/891040947.db2.gz OCCFMUGYQYSJQE-GBXCKJPGSA-N 1 0 393.531 3.994 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000872222066 891212950 /nfs/dbraw/zinc/21/29/50/891212950.db2.gz MZYDWBVRGWIAIL-HXUWFJFHSA-N 1 0 389.421 3.869 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1=S ZINC000872723499 891313905 /nfs/dbraw/zinc/31/39/05/891313905.db2.gz LUVJDZNLYCAFKI-RTBURBONSA-N 1 0 383.565 3.559 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1c[nH]c2ccc(C)cc21)C(F)(F)F ZINC001184951586 913569647 /nfs/dbraw/zinc/56/96/47/913569647.db2.gz RQUOAQJQOZWVHT-KBXCAEBGSA-N 1 0 379.426 3.889 20 30 GHEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873328501 891586445 /nfs/dbraw/zinc/58/64/45/891586445.db2.gz XLJQFKQIVSGRHA-WPRPVWTQSA-N 1 0 387.299 3.754 20 30 GHEDRO Cc1cccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455579635 891720012 /nfs/dbraw/zinc/72/00/12/891720012.db2.gz NDSCIRIRLDSQDG-IBGZPJMESA-N 1 0 376.504 3.845 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3ccc(N(C)C)cc3Cl)CC2)C1=O ZINC001275369934 913587903 /nfs/dbraw/zinc/58/79/03/913587903.db2.gz GZISDNHJUOFZPC-UHFFFAOYSA-N 1 0 375.944 3.797 20 30 GHEDRO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275371263 913594913 /nfs/dbraw/zinc/59/49/13/913594913.db2.gz VZORNDGDMWVIEP-SFHVURJKSA-N 1 0 375.944 3.700 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@H]3CCCCN3[C@H]3CC[NH2+]C3)n2)c(C#N)c1 ZINC001212102775 892069912 /nfs/dbraw/zinc/06/99/12/892069912.db2.gz TYVJAIKDRNZJTD-PKOBYXMFSA-N 1 0 379.508 3.795 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2ccc(OCCO)c(OC)c2)c(O)c1 ZINC000917558100 892165683 /nfs/dbraw/zinc/16/56/83/892165683.db2.gz GLXSNZGQKKWRSJ-VBHMAFOESA-N 1 0 386.492 3.798 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(CC#N)c1 ZINC000068313227 892184416 /nfs/dbraw/zinc/18/44/16/892184416.db2.gz WWLHPVPHNJAFEO-UHFFFAOYSA-N 1 0 389.421 3.975 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814175929 892331793 /nfs/dbraw/zinc/33/17/93/892331793.db2.gz MUUGSIHJFOHUGQ-POAQFYNOSA-N 1 0 385.508 3.809 20 30 GHEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]2C ZINC000611688305 892342358 /nfs/dbraw/zinc/34/23/58/892342358.db2.gz QAMDBSRDTAGZPS-QKLQHJQFSA-N 1 0 380.488 3.509 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000875237754 892504835 /nfs/dbraw/zinc/50/48/35/892504835.db2.gz AIWRKPCSPUAJMF-WBVHZDCISA-N 1 0 382.430 3.581 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000875249257 892509438 /nfs/dbraw/zinc/50/94/38/892509438.db2.gz ZTHAIKBSQJQQSY-QGZVFWFLSA-N 1 0 380.414 3.501 20 30 GHEDRO C=CCOc1ccc(COC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000875554816 892683757 /nfs/dbraw/zinc/68/37/57/892683757.db2.gz AMLGHUIPBAEACO-FCHUYYIVSA-N 1 0 397.519 3.542 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509688628 892757450 /nfs/dbraw/zinc/75/74/50/892757450.db2.gz NMESJXSFWZTKMI-LOSJGSFVSA-N 1 0 388.559 3.970 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271858329 892878553 /nfs/dbraw/zinc/87/85/53/892878553.db2.gz STHOGVDKHIXDFD-OAHLLOKOSA-N 1 0 395.528 3.773 20 30 GHEDRO N#Cc1cc(Br)cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)n1 ZINC001170754831 892969562 /nfs/dbraw/zinc/96/95/62/892969562.db2.gz UKZIVVVTBVYHNV-SFHVURJKSA-N 1 0 385.309 3.835 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000933257690 892978298 /nfs/dbraw/zinc/97/82/98/892978298.db2.gz MEZLJHWLUUUABX-YLJYHZDGSA-N 1 0 377.488 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000814659716 893020922 /nfs/dbraw/zinc/02/09/22/893020922.db2.gz OXMNQCKFRCZQBU-FQEVSTJZSA-N 1 0 386.540 3.564 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+]1CCCCC1 ZINC000918034999 893031212 /nfs/dbraw/zinc/03/12/12/893031212.db2.gz GGYZCZYBARPUTC-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455788872 893282788 /nfs/dbraw/zinc/28/27/88/893282788.db2.gz OOLZRRHSLUTDGK-RDTXWAMCSA-N 1 0 383.883 3.639 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(Br)cc1OC ZINC000877012375 893433475 /nfs/dbraw/zinc/43/34/75/893433475.db2.gz RPBBYOOJJINNMU-KBPBESRZSA-N 1 0 387.705 3.591 20 30 GHEDRO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000877119630 893494009 /nfs/dbraw/zinc/49/40/09/893494009.db2.gz JKRAVKUDDJZPLC-OALUTQOASA-N 1 0 380.883 3.664 20 30 GHEDRO CN(C)c1ccc([C@H](C[NH2+]C2CCC(C#N)CC2)NC(=O)OC(C)(C)C)cc1 ZINC000877132688 893501580 /nfs/dbraw/zinc/50/15/80/893501580.db2.gz KQLFDAFSNJNNIY-NLPFYKDJSA-N 1 0 386.540 3.990 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)cc1 ZINC001137116994 893504669 /nfs/dbraw/zinc/50/46/69/893504669.db2.gz XYWFZPYJKOIMKU-UHFFFAOYSA-N 1 0 376.485 3.708 20 30 GHEDRO C=CC[N@@H+](Cc1cnc(N(CC)CC)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675435 893513303 /nfs/dbraw/zinc/51/33/03/893513303.db2.gz MZSWTXBAWDWLJE-MRXNPFEDSA-N 1 0 397.552 3.714 20 30 GHEDRO C[C@H](C#N)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000556063164 893615308 /nfs/dbraw/zinc/61/53/08/893615308.db2.gz VYERSYIVRILIPB-TYCQWZJGSA-N 1 0 381.907 3.831 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)cc1 ZINC001137121337 893649855 /nfs/dbraw/zinc/64/98/55/893649855.db2.gz FUYBNSRMLNNZQC-UHFFFAOYSA-N 1 0 382.847 3.904 20 30 GHEDRO CCOP(=O)(CCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1)OCC ZINC000877631042 893731712 /nfs/dbraw/zinc/73/17/12/893731712.db2.gz NHXAYOSMLWEADD-UHFFFAOYSA-N 1 0 380.425 3.810 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@@H](c1ccncc1)C1CC1)CCCCC2 ZINC000934690885 893817882 /nfs/dbraw/zinc/81/78/82/893817882.db2.gz DAZMSBIIZLEHOQ-HXUWFJFHSA-N 1 0 380.517 3.963 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000877816148 893824459 /nfs/dbraw/zinc/82/44/59/893824459.db2.gz DJJOPQHYDCLNJK-JKSUJKDBSA-N 1 0 383.414 3.693 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC000877816146 893825540 /nfs/dbraw/zinc/82/55/40/893825540.db2.gz DJJOPQHYDCLNJK-HOTGVXAUSA-N 1 0 383.414 3.693 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000877961457 893915460 /nfs/dbraw/zinc/91/54/60/893915460.db2.gz PSFYYJOBQCFPSZ-XMMPIXPASA-N 1 0 386.499 3.511 20 30 GHEDRO C=CCCOCC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000229880463 893958439 /nfs/dbraw/zinc/95/84/39/893958439.db2.gz DVOKJKXYEPAKBW-UHFFFAOYSA-N 1 0 393.119 3.903 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1)c1ccccc1 ZINC000878089680 894006127 /nfs/dbraw/zinc/00/61/27/894006127.db2.gz KQOUVJGJYNVBFM-DEOSSOPVSA-N 1 0 395.547 3.588 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000609281676 894008894 /nfs/dbraw/zinc/00/88/94/894008894.db2.gz SJOYDZIIMIYLOV-UHFFFAOYSA-N 1 0 391.475 3.908 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)CC1 ZINC000609281771 894014544 /nfs/dbraw/zinc/01/45/44/894014544.db2.gz RSOFQXUNCNLEHV-UHFFFAOYSA-N 1 0 379.888 3.679 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000878222609 894104466 /nfs/dbraw/zinc/10/44/66/894104466.db2.gz ILSHVMGNSFRGJR-HSZRJFAPSA-N 1 0 399.535 3.664 20 30 GHEDRO C=CCCc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC001185364533 913841914 /nfs/dbraw/zinc/84/19/14/913841914.db2.gz QXBHAOCLZXZCHN-UHFFFAOYSA-N 1 0 397.494 3.782 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878385187 894248494 /nfs/dbraw/zinc/24/84/94/894248494.db2.gz VDTZQSFQEIMYLT-LYHRCORUSA-N 1 0 399.535 3.662 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000127108173 894274192 /nfs/dbraw/zinc/27/41/92/894274192.db2.gz PONLPKVWTHNWIB-PMACEKPBSA-N 1 0 386.540 3.535 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022794270 894405429 /nfs/dbraw/zinc/40/54/29/894405429.db2.gz YCNQRANVMKWFPN-UHFFFAOYSA-O 1 0 391.582 3.816 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccccc1CC ZINC000022796231 894406655 /nfs/dbraw/zinc/40/66/55/894406655.db2.gz BPCWFWWECDCNPS-UHFFFAOYSA-O 1 0 398.552 3.789 20 30 GHEDRO CC(C)(C)Oc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000537305161 894738197 /nfs/dbraw/zinc/73/81/97/894738197.db2.gz FFAJQABAIDQJNC-UHFFFAOYSA-N 1 0 378.520 3.885 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)C2)c1 ZINC000537407399 894926267 /nfs/dbraw/zinc/92/62/67/894926267.db2.gz KKSVGWNMWQRXCN-CVEARBPZSA-N 1 0 383.467 3.892 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000537412338 894933512 /nfs/dbraw/zinc/93/35/12/894933512.db2.gz UBKHKEPSXWTDNM-JOCHJYFZSA-N 1 0 386.540 3.657 20 30 GHEDRO C=CCC(C)(C)C(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000816781932 895068389 /nfs/dbraw/zinc/06/83/89/895068389.db2.gz COWBGTFLDCQCBW-UHFFFAOYSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H](Cc2ccccn2)C(=O)OCC)cc1 ZINC001170845127 895095759 /nfs/dbraw/zinc/09/57/59/895095759.db2.gz RZBBWBPUWPVHSN-FGZHOGPDSA-N 1 0 379.504 3.991 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)cc1OCCCC#N ZINC000897579451 895114504 /nfs/dbraw/zinc/11/45/04/895114504.db2.gz WSELVZNPHUKHOD-QGZVFWFLSA-N 1 0 384.480 3.524 20 30 GHEDRO COC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000879663606 895213559 /nfs/dbraw/zinc/21/35/59/895213559.db2.gz MSKZKBOPYPOTRX-QGZVFWFLSA-N 1 0 381.314 3.827 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000879700733 895240755 /nfs/dbraw/zinc/24/07/55/895240755.db2.gz MCVQUXYUVWLFGO-OALUTQOASA-N 1 0 391.556 3.808 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000879713554 895251875 /nfs/dbraw/zinc/25/18/75/895251875.db2.gz QFFMZCNOQWKWDM-GJZGRUSLSA-N 1 0 380.423 3.953 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)n1 ZINC000564942290 895317988 /nfs/dbraw/zinc/31/79/88/895317988.db2.gz HSXRHXTUGZIOLC-UHFFFAOYSA-N 1 0 391.397 3.568 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3ccnc4ccccc43)CC2)cc1 ZINC000565166369 895433427 /nfs/dbraw/zinc/43/34/27/895433427.db2.gz ZTWYEWGOFKRCEO-UHFFFAOYSA-N 1 0 384.483 3.602 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000565189299 895450394 /nfs/dbraw/zinc/45/03/94/895450394.db2.gz RBAMRYUPTZQHMK-UHFFFAOYSA-N 1 0 391.515 3.782 20 30 GHEDRO CC1(C)[C@H](c2cccc(Cl)c2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000880087764 895505336 /nfs/dbraw/zinc/50/53/36/895505336.db2.gz VITJNUYJVILREH-MOPGFXCFSA-N 1 0 376.928 3.979 20 30 GHEDRO CCCC1(CCC)CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000880093644 895509899 /nfs/dbraw/zinc/50/98/99/895509899.db2.gz DZUFVFCZQPWLLK-QGZVFWFLSA-N 1 0 380.492 3.946 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000817365807 895568059 /nfs/dbraw/zinc/56/80/59/895568059.db2.gz VUTQMBZYIYIZAV-KXBFYZLASA-N 1 0 395.507 3.525 20 30 GHEDRO CC1(C)[C@@H](c2ccccc2Cl)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880288234 895619889 /nfs/dbraw/zinc/61/98/89/895619889.db2.gz XWXQZRFPRVEJOK-FUHWJXTLSA-N 1 0 376.928 3.979 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cc(C#N)c(F)cc2F)C1 ZINC000880715940 895827414 /nfs/dbraw/zinc/82/74/14/895827414.db2.gz JCPWLGDXHMBAJB-LSDHHAIUSA-N 1 0 376.451 3.955 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000565804286 895893279 /nfs/dbraw/zinc/89/32/79/895893279.db2.gz MSXHXUJDBQZDSC-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)CC2)cc1 ZINC001136064459 895965363 /nfs/dbraw/zinc/96/53/63/895965363.db2.gz NMHXKVVSSGNBLZ-RPWUZVMVSA-N 1 0 387.527 3.861 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C[C@H]1C ZINC000880928279 896006224 /nfs/dbraw/zinc/00/62/24/896006224.db2.gz PHIGQXZEMGBWKM-XOKHGSTOSA-N 1 0 382.430 3.676 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000880992665 896051746 /nfs/dbraw/zinc/05/17/46/896051746.db2.gz BVOOHXRJILBVIV-UHFFFAOYSA-N 1 0 395.482 3.572 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cc(OC)c1O ZINC000818222827 896087996 /nfs/dbraw/zinc/08/79/96/896087996.db2.gz WWYMXSGLZBLBJA-QGZVFWFLSA-N 1 0 382.504 3.754 20 30 GHEDRO C=CCn1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)nn1 ZINC000818224514 896089255 /nfs/dbraw/zinc/08/92/55/896089255.db2.gz LQNCNOGBKZXXAE-QUCCMNQESA-N 1 0 397.523 3.695 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000818346997 896108901 /nfs/dbraw/zinc/10/89/01/896108901.db2.gz MEMVMPIIFVVTJE-QOKNQOGYSA-N 1 0 375.513 3.656 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2-n2ccc(C)n2)c1 ZINC000128779732 896111761 /nfs/dbraw/zinc/11/17/61/896111761.db2.gz PAYDJRFUZPMKFM-UHFFFAOYSA-N 1 0 393.491 3.905 20 30 GHEDRO Cc1cc(C(=O)NCCCCC[NH+]2CCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000818337816 896119550 /nfs/dbraw/zinc/11/95/50/896119550.db2.gz SFXXZJDNSYSTGP-UHFFFAOYSA-N 1 0 378.520 3.962 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000819309368 896551021 /nfs/dbraw/zinc/55/10/21/896551021.db2.gz QFCQAIRVSCQZKJ-GXTWGEPZSA-N 1 0 388.002 3.780 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)s1 ZINC000819331902 896575697 /nfs/dbraw/zinc/57/56/97/896575697.db2.gz FMXJSSPZFKELIS-AWEZNQCLSA-N 1 0 388.002 3.639 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000819357835 896600661 /nfs/dbraw/zinc/60/06/61/896600661.db2.gz XFXRQIRMQSFAID-UONOGXRCSA-N 1 0 388.002 3.828 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000566825190 896604342 /nfs/dbraw/zinc/60/43/42/896604342.db2.gz IXWMAVQHLNBBIJ-MOPGFXCFSA-N 1 0 388.519 3.625 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)CSc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000566935632 896714178 /nfs/dbraw/zinc/71/41/78/896714178.db2.gz AGAYOJQKGAVJIT-QGZVFWFLSA-N 1 0 387.936 3.765 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000778579265 896988928 /nfs/dbraw/zinc/98/89/28/896988928.db2.gz APZJMCBNWGVTHA-DOTOQJQBSA-N 1 0 390.524 3.864 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)c1ccccc1Cl ZINC000130907785 897249399 /nfs/dbraw/zinc/24/93/99/897249399.db2.gz PPVRQBIQFXCIGB-OAQYLSRUSA-N 1 0 399.922 3.984 20 30 GHEDRO C#C[C@@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000820495580 897339501 /nfs/dbraw/zinc/33/95/01/897339501.db2.gz QAUVNWBQRLSELW-FCHUYYIVSA-N 1 0 394.494 3.591 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)[C@H]1CCCO1 ZINC000883196131 897360101 /nfs/dbraw/zinc/36/01/01/897360101.db2.gz KHGVOARHIOZBSJ-RTBURBONSA-N 1 0 385.533 3.677 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000131425925 897456657 /nfs/dbraw/zinc/45/66/57/897456657.db2.gz RBTILZZAVJGNLM-OALUTQOASA-N 1 0 386.540 3.962 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000567988259 897525673 /nfs/dbraw/zinc/52/56/73/897525673.db2.gz JUVKGPFSYSFEFD-UHFFFAOYSA-N 1 0 387.487 3.882 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH3+])C[C@@H]2C)cc1OCC ZINC000568161930 897648819 /nfs/dbraw/zinc/64/88/19/897648819.db2.gz LZKGIFRCYUQFEI-ZFWWWQNUSA-N 1 0 383.330 3.724 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000132354525 897762274 /nfs/dbraw/zinc/76/22/74/897762274.db2.gz YLIQUFICYJJJNA-YJYMSZOUSA-N 1 0 387.842 3.665 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@H]3CCCC3(F)F)CC2)c1 ZINC000883711834 897846697 /nfs/dbraw/zinc/84/66/97/897846697.db2.gz YJAPHORLHPYZEK-GOSISDBHSA-N 1 0 390.478 3.647 20 30 GHEDRO Cc1cccc(NC(=O)CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000303033787 914206188 /nfs/dbraw/zinc/20/61/88/914206188.db2.gz OIMVRZPZTHEFAE-UHFFFAOYSA-N 1 0 394.519 3.565 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102044393 897991144 /nfs/dbraw/zinc/99/11/44/897991144.db2.gz NJUJQZVZJWEESF-MRXNPFEDSA-N 1 0 395.482 3.526 20 30 GHEDRO N#Cc1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000568700269 898045875 /nfs/dbraw/zinc/04/58/75/898045875.db2.gz KITCPRNUTCHDKJ-UHFFFAOYSA-N 1 0 396.413 3.638 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000103236267 898075419 /nfs/dbraw/zinc/07/54/19/898075419.db2.gz YRQBBVLQNDKUPL-IBGZPJMESA-N 1 0 398.551 3.578 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000568743867 898078022 /nfs/dbraw/zinc/07/80/22/898078022.db2.gz YEBGMWRBHBJNNW-UTKZUKDTSA-N 1 0 399.510 3.742 20 30 GHEDRO Cc1nc(NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)ccc1C#N ZINC001185968429 914233336 /nfs/dbraw/zinc/23/33/36/914233336.db2.gz GYOPASPWGAHLHD-ROUUACIJSA-N 1 0 378.520 3.883 20 30 GHEDRO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2CCc1ccc(F)cc1Cl ZINC001276331202 914265568 /nfs/dbraw/zinc/26/55/68/914265568.db2.gz YQAZMYLHWALEGL-HXUWFJFHSA-N 1 0 377.891 3.782 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)ccc1C#N ZINC000569425325 898648666 /nfs/dbraw/zinc/64/86/66/898648666.db2.gz ANCGNYUNAVAWNS-QGZVFWFLSA-N 1 0 394.425 3.813 20 30 GHEDRO CCCCc1oc2ccccc2c1CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884059165 898717406 /nfs/dbraw/zinc/71/74/06/898717406.db2.gz ILCQNUKJGWHTNN-BNGSBABLSA-N 1 0 379.504 3.873 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000155455520 898802215 /nfs/dbraw/zinc/80/22/15/898802215.db2.gz QJLRBQDHKAHPLV-FQEVSTJZSA-N 1 0 389.421 3.740 20 30 GHEDRO CCC[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884120464 898953308 /nfs/dbraw/zinc/95/33/08/898953308.db2.gz MJYLIBMVMYXEKC-LBXLTVQDSA-N 1 0 379.426 3.802 20 30 GHEDRO COc1ccc(Sc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)cc1 ZINC000884124002 898978473 /nfs/dbraw/zinc/97/84/73/898978473.db2.gz KIXQXXGJXCVZOY-BXFSZVDSSA-N 1 0 393.512 3.924 20 30 GHEDRO COc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1OCCCC#N ZINC000113358625 898990467 /nfs/dbraw/zinc/99/04/67/898990467.db2.gz QOTUYUWQBVEHMO-UHFFFAOYSA-N 1 0 396.466 3.736 20 30 GHEDRO Cc1cc(Br)cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000774981649 914333008 /nfs/dbraw/zinc/33/30/08/914333008.db2.gz ITQRQQIFLUTTJE-UHFFFAOYSA-N 1 0 385.309 3.783 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000570675782 899498667 /nfs/dbraw/zinc/49/86/67/899498667.db2.gz ATVZGCVQDKAHGO-SUMWQHHRSA-N 1 0 392.956 3.629 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000156434026 899760361 /nfs/dbraw/zinc/76/03/61/899760361.db2.gz CWRPOYANJJTWBM-UHFFFAOYSA-N 1 0 393.443 3.527 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000332586062 899780332 /nfs/dbraw/zinc/78/03/32/899780332.db2.gz DPZSFRSDUNLQIQ-JKSUJKDBSA-N 1 0 396.413 3.590 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136935864 899809547 /nfs/dbraw/zinc/80/95/47/899809547.db2.gz WXZIOULWDIHQQF-NRFANRHFSA-N 1 0 378.463 3.864 20 30 GHEDRO CC1(C)CN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000333033806 899907673 /nfs/dbraw/zinc/90/76/73/899907673.db2.gz AYYWAEMNSLQDNY-QRFQSNJMSA-N 1 0 378.476 3.778 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000333109155 899969165 /nfs/dbraw/zinc/96/91/65/899969165.db2.gz GCFJOIBUPQVZSE-RHSMWYFYSA-N 1 0 380.414 3.963 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1 ZINC000825118974 899990995 /nfs/dbraw/zinc/99/09/95/899990995.db2.gz ZWUIALNJADAPJE-QHAWAJNXSA-N 1 0 381.524 3.520 20 30 GHEDRO C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884417545 900069312 /nfs/dbraw/zinc/06/93/12/900069312.db2.gz KNFSTYREOLSQPT-KUKRUZIOSA-N 1 0 387.527 3.903 20 30 GHEDRO Cc1ccnc(N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1C#N ZINC000884591990 900186056 /nfs/dbraw/zinc/18/60/56/900186056.db2.gz CUQMSYBTZDVSEN-HXUWFJFHSA-N 1 0 376.504 3.887 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000135300393 900218841 /nfs/dbraw/zinc/21/88/41/900218841.db2.gz RJGPBFJBPNYFIY-UHFFFAOYSA-N 1 0 384.455 3.892 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)C[N@@H+]1Cc1ccccc1 ZINC000135319541 900221435 /nfs/dbraw/zinc/22/14/35/900221435.db2.gz GAJYSZUELBYRGJ-QAPCUYQASA-N 1 0 382.439 3.513 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000572991300 900330678 /nfs/dbraw/zinc/33/06/78/900330678.db2.gz MIWQSFHUKWGPCR-JDFRZJQESA-N 1 0 391.313 3.580 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000844295985 900685226 /nfs/dbraw/zinc/68/52/26/900685226.db2.gz TUFBPUBTHMBOEP-CQSZACIVSA-N 1 0 388.468 3.592 20 30 GHEDRO C=CCn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000574488066 900902954 /nfs/dbraw/zinc/90/29/54/900902954.db2.gz KPLRNXLVJHUQCA-NRSPTQNISA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CCN(Cc1cc(F)c(OCC)c(F)c1)CC2 ZINC001144023323 900942248 /nfs/dbraw/zinc/94/22/48/900942248.db2.gz RXOBPIWLLJIGJD-UHFFFAOYSA-N 1 0 380.435 3.584 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(Br)c(OCC)c(OC)c2)CCOCC1 ZINC000886384416 900971323 /nfs/dbraw/zinc/97/13/23/900971323.db2.gz QMJDHBKRDFIDQE-UHFFFAOYSA-N 1 0 382.298 3.519 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000066178631 900991810 /nfs/dbraw/zinc/99/18/10/900991810.db2.gz QZOJSNKBHDILEG-UHFFFAOYSA-N 1 0 394.519 3.619 20 30 GHEDRO C=CCN1C[C@H](c2ccccc2)[C@]2(CCN(Cc3ncc(Cl)s3)C2)C1=O ZINC001275519904 914499295 /nfs/dbraw/zinc/49/92/95/914499295.db2.gz HMGMDPSBGYGIQB-OXQOHEQNSA-N 1 0 387.936 3.801 20 30 GHEDRO COCCO[C@H]1CCC2(CC[NH+](Cc3cncc(C#N)c3)CC2)c2ccccc21 ZINC001144080583 901049073 /nfs/dbraw/zinc/04/90/73/901049073.db2.gz RCJZVTKQADCHBX-QHCPKHFHSA-N 1 0 391.515 3.985 20 30 GHEDRO Cc1sc(NC(=O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000575006332 901083887 /nfs/dbraw/zinc/08/38/87/901083887.db2.gz WDXIIOXUHOWFSO-MRXNPFEDSA-N 1 0 389.908 3.982 20 30 GHEDRO C=CCNc1ncc(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)s1 ZINC001171140767 901093256 /nfs/dbraw/zinc/09/32/56/901093256.db2.gz WAEPWMIELSXGGK-GOSISDBHSA-N 1 0 384.549 3.916 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)c1ccsc1 ZINC000069271610 901109797 /nfs/dbraw/zinc/10/97/97/901109797.db2.gz OUNQYUVQYQWQHR-LJQANCHMSA-N 1 0 386.521 3.533 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(C(F)(F)F)c1 ZINC000575167870 901149503 /nfs/dbraw/zinc/14/95/03/901149503.db2.gz WNCYKQBSELWDGT-CYBMUJFWSA-N 1 0 395.331 3.750 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000575771327 901287558 /nfs/dbraw/zinc/28/75/58/901287558.db2.gz LOGNHBSVZJBFSA-HKUYNNGSSA-N 1 0 378.394 3.776 20 30 GHEDRO Cc1noc(C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)n1 ZINC000091834020 901459955 /nfs/dbraw/zinc/45/99/55/901459955.db2.gz GDSSUFJTJBNBMG-UHFFFAOYSA-N 1 0 376.464 3.535 20 30 GHEDRO N#CCc1ccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000576156848 901735737 /nfs/dbraw/zinc/73/57/37/901735737.db2.gz MDONJYUGPCOJJX-UHFFFAOYSA-N 1 0 392.503 3.939 20 30 GHEDRO C[C@@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@H]1n1ccnc1 ZINC000123134015 901900226 /nfs/dbraw/zinc/90/02/26/901900226.db2.gz NYPXODZQGUWGFU-OXQOHEQNSA-N 1 0 390.443 3.650 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4ccc(Cl)cc43)C2=O)cc1 ZINC000576382088 901987240 /nfs/dbraw/zinc/98/72/40/901987240.db2.gz QXVYXDYAAVCXQF-SFTDATJTSA-N 1 0 379.891 3.980 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCOC ZINC001144399465 902001962 /nfs/dbraw/zinc/00/19/62/902001962.db2.gz UEWHAWSMWULPKO-OAQYLSRUSA-N 1 0 386.923 3.874 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000576459031 902033703 /nfs/dbraw/zinc/03/37/03/902033703.db2.gz IFVAPFLEOXXKKR-HNNXBMFYSA-N 1 0 380.922 3.714 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3Cc4cccc(Cl)c4C3)CC2)c1 ZINC000845745952 902363594 /nfs/dbraw/zinc/36/35/94/902363594.db2.gz FMUWGBYROGTLGL-UHFFFAOYSA-N 1 0 394.906 3.901 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC001144572071 902403628 /nfs/dbraw/zinc/40/36/28/902403628.db2.gz OTDCFNSMWGUGLO-RUZDIDTESA-N 1 0 381.479 3.799 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(C)c(Br)cc3F)C2)C1=O ZINC001144583493 902424814 /nfs/dbraw/zinc/42/48/14/902424814.db2.gz HMKPDZWYRDLGLY-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN(C)C[C@H]3CCCOC3)c(=S)o2)cc1 ZINC000159027910 902464318 /nfs/dbraw/zinc/46/43/18/902464318.db2.gz ODLAYCCVBUHMRS-OAHLLOKOSA-N 1 0 375.494 3.753 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)cc1 ZINC000577079909 902488794 /nfs/dbraw/zinc/48/87/94/902488794.db2.gz YAOKPMXEPPIDHZ-HDICACEKSA-N 1 0 376.460 3.814 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CCOC1 ZINC000577201719 902585018 /nfs/dbraw/zinc/58/50/18/902585018.db2.gz KBDHMLBLKJSTBG-CABCVRRESA-N 1 0 375.538 3.572 20 30 GHEDRO C[C@@H]1C[C@H](C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000846007019 902588818 /nfs/dbraw/zinc/58/88/18/902588818.db2.gz MJTIPUQDKGCBLL-POAQFYNOSA-N 1 0 387.524 3.559 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001171211269 902646687 /nfs/dbraw/zinc/64/66/87/902646687.db2.gz BWFJKUDDKDQYKV-UUOWRZLLSA-N 1 0 391.490 3.753 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171212439 902696896 /nfs/dbraw/zinc/69/68/96/902696896.db2.gz MYBPACBUWAQLQV-GOSISDBHSA-N 1 0 390.531 3.857 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171212447 902697083 /nfs/dbraw/zinc/69/70/83/902697083.db2.gz MYBPACBUWAQLQV-SFHVURJKSA-N 1 0 390.531 3.857 20 30 GHEDRO CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171213092 902707656 /nfs/dbraw/zinc/70/76/56/902707656.db2.gz UHVYFOJFJGIYOE-INIZCTEOSA-N 1 0 396.560 3.529 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000129011339 902746879 /nfs/dbraw/zinc/74/68/79/902746879.db2.gz IYWVTKLXGMJOOG-UHFFFAOYSA-N 1 0 394.494 3.524 20 30 GHEDRO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)Cc2cnn(CC3CC3)c21 ZINC001171215656 902749619 /nfs/dbraw/zinc/74/96/19/902749619.db2.gz CJDPJWANUKPJJO-VGOFRKELSA-N 1 0 378.520 3.732 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001171215627 902749967 /nfs/dbraw/zinc/74/99/67/902749967.db2.gz BYZJFBFULGDNQN-UZUQRXQVSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001171217307 902756061 /nfs/dbraw/zinc/75/60/61/902756061.db2.gz ORESELCUDXTKSI-WDJPJFJCSA-N 1 0 398.547 3.556 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](c3nnc[nH]3)C3CCCCC3)C2)c(F)c1 ZINC000577456220 902787184 /nfs/dbraw/zinc/78/71/84/902787184.db2.gz UFXLFBRDJIFHSV-PXNSSMCTSA-N 1 0 382.487 3.695 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1Cl ZINC000264084584 902833641 /nfs/dbraw/zinc/83/36/41/902833641.db2.gz IOILZBGOFKAMOK-LBPRGKRZSA-N 1 0 393.318 3.861 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccccc3C#N)s2)cs1 ZINC000600715763 902838855 /nfs/dbraw/zinc/83/88/55/902838855.db2.gz VIJGLICZKZLDHO-OAHLLOKOSA-N 1 0 385.514 3.581 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000600731229 902854223 /nfs/dbraw/zinc/85/42/23/902854223.db2.gz VMUQEBAIVIVMRD-KKSFZXQISA-N 1 0 398.890 3.845 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(c3cccc(Cl)c3F)CCCC2)CCOCC1 ZINC000600733635 902856515 /nfs/dbraw/zinc/85/65/15/902856515.db2.gz LFNXYLQYGKIMRV-MRXNPFEDSA-N 1 0 394.918 3.952 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001171232641 903046988 /nfs/dbraw/zinc/04/69/88/903046988.db2.gz UULNUZVQTKKVCC-KRWDZBQOSA-N 1 0 382.529 3.772 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000600896077 903062522 /nfs/dbraw/zinc/06/25/22/903062522.db2.gz QCVQHBIHKOKAKU-OAQYLSRUSA-N 1 0 379.504 3.888 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c[nH]c4cccc(F)c34)CC2)c1 ZINC000846612120 903091914 /nfs/dbraw/zinc/09/19/14/903091914.db2.gz NJWAIVPKKRCGNK-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000772949185 903140333 /nfs/dbraw/zinc/14/03/33/903140333.db2.gz PSTAQRDFAXEXEH-UWJYYQICSA-N 1 0 382.504 3.669 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000846886255 903288319 /nfs/dbraw/zinc/28/83/19/903288319.db2.gz XBXZOBDNKJRLJU-UHFFFAOYSA-N 1 0 380.492 3.870 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000133061856 903341426 /nfs/dbraw/zinc/34/14/26/903341426.db2.gz UGTCZJJYCOJOII-IRXDYDNUSA-N 1 0 382.426 3.845 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(CC(F)(F)F)cc3)C2=O)cc1 ZINC000601118024 903352900 /nfs/dbraw/zinc/35/29/00/903352900.db2.gz DCRGZZXZBGTFAW-IBGZPJMESA-N 1 0 387.405 3.554 20 30 GHEDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000601141792 903383037 /nfs/dbraw/zinc/38/30/37/903383037.db2.gz QBOMLJKLBNZGGH-JOCHJYFZSA-N 1 0 381.524 3.670 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CCC2)cc1 ZINC000847060024 903439515 /nfs/dbraw/zinc/43/95/15/903439515.db2.gz QXQSUJSNHFIPRQ-IBGZPJMESA-N 1 0 393.450 3.764 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000133921662 903442604 /nfs/dbraw/zinc/44/26/04/903442604.db2.gz AZGKBFIIBGXHHS-FQEVSTJZSA-N 1 0 385.471 3.763 20 30 GHEDRO Cc1cc(C)c(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccccc2)cc1C ZINC000134201887 903479633 /nfs/dbraw/zinc/47/96/33/903479633.db2.gz CKADQFMKWARZSZ-LJQANCHMSA-O 1 0 397.564 3.997 20 30 GHEDRO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001146230406 903480733 /nfs/dbraw/zinc/48/07/33/903480733.db2.gz OUKSOWZMOVSEKG-ZDPZECHZSA-N 1 0 385.508 3.591 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3cc(C#N)ccc3F)cc[nH+]2)CC1 ZINC001212836933 903512522 /nfs/dbraw/zinc/51/25/22/903512522.db2.gz MELKATPNCAHVBH-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO N#CC1(Nc2ccc(C3N=NC(=S)O3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171276577 903519494 /nfs/dbraw/zinc/51/94/94/903519494.db2.gz BSHBHUHZWRGOKV-UHFFFAOYSA-N 1 0 391.500 3.996 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1C[NH3+] ZINC001146431528 903539151 /nfs/dbraw/zinc/53/91/51/903539151.db2.gz KYADFLSWJRJDMV-INIZCTEOSA-N 1 0 376.501 3.509 20 30 GHEDRO COC(=O)c1c[nH]c2c1cccc2NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171278122 903553416 /nfs/dbraw/zinc/55/34/16/903553416.db2.gz UPDMBBUOBCIPCF-UHFFFAOYSA-N 1 0 388.471 3.925 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc21 ZINC000134944359 903598252 /nfs/dbraw/zinc/59/82/52/903598252.db2.gz UCVNPBWZRDGGGI-GCJKJVERSA-N 1 0 390.531 3.686 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@@H](CCC#N)c1ccc(OC)cc1)Cc1ccc(F)cc1C ZINC000578192138 903601757 /nfs/dbraw/zinc/60/17/57/903601757.db2.gz DHBOIZLRKQEPEE-UGKGYDQZSA-N 1 0 397.494 3.682 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000578224482 903630157 /nfs/dbraw/zinc/63/01/57/903630157.db2.gz WQRHFPHHTVFAAE-INIZCTEOSA-N 1 0 380.448 3.562 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000772985765 903874737 /nfs/dbraw/zinc/87/47/37/903874737.db2.gz YHSFFBITSZJGHD-GDBMZVCRSA-N 1 0 386.883 3.923 20 30 GHEDRO CC(C)Oc1ccc(C(=O)N2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1C#N ZINC001148768274 904205238 /nfs/dbraw/zinc/20/52/38/904205238.db2.gz LYRKROQQGVWWAH-UHFFFAOYSA-N 1 0 381.520 3.826 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000578945671 904244852 /nfs/dbraw/zinc/24/48/52/904244852.db2.gz SOUISXUNBYCAJT-IBGZPJMESA-N 1 0 388.519 3.742 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001149011219 904267534 /nfs/dbraw/zinc/26/75/34/904267534.db2.gz VBNWTTILOWPUDI-LJQANCHMSA-N 1 0 393.531 3.884 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)CC1 ZINC000152487261 904274244 /nfs/dbraw/zinc/27/42/44/904274244.db2.gz JNANXQGKZJGNEB-UHFFFAOYSA-N 1 0 398.457 3.867 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)CC2 ZINC000579043442 904310250 /nfs/dbraw/zinc/31/02/50/904310250.db2.gz OHBIQISVYLSEEM-NRFANRHFSA-N 1 0 395.528 3.510 20 30 GHEDRO Cc1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1NC(=O)c1cccc(C#N)c1 ZINC001171400673 904504634 /nfs/dbraw/zinc/50/46/34/904504634.db2.gz NPTMDMSQWABBKM-FQEVSTJZSA-N 1 0 398.466 3.977 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171531079 904755829 /nfs/dbraw/zinc/75/58/29/904755829.db2.gz WZCFEYOPFGERCQ-HNNXBMFYSA-N 1 0 382.426 3.585 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540626 904766610 /nfs/dbraw/zinc/76/66/10/904766610.db2.gz UMAWWFMOYPCTDB-VWKPWSFCSA-N 1 0 381.438 3.787 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ncc(C#N)s2)C[C@@H]1C(C)(C)C ZINC001171593055 904819719 /nfs/dbraw/zinc/81/97/19/904819719.db2.gz IOKHILPHLXKAEO-DZGCQCFKSA-N 1 0 378.542 3.919 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171728483 904955685 /nfs/dbraw/zinc/95/56/85/904955685.db2.gz OHAKKKBLMLZHFR-PMOQBDJRSA-N 1 0 378.516 3.580 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN([C@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001171754987 904988977 /nfs/dbraw/zinc/98/89/77/904988977.db2.gz KYTAKHPVIFNAPW-TWDDROGUSA-N 1 0 384.564 3.723 20 30 GHEDRO CC[C@@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171818798 905034181 /nfs/dbraw/zinc/03/41/81/905034181.db2.gz FEYWQAXAGPREAU-BCDXTJNWSA-N 1 0 378.561 3.521 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](CCOc1ccccc1C#N)C2 ZINC001171786129 905047468 /nfs/dbraw/zinc/04/74/68/905047468.db2.gz QENHKOYVVNBNKP-AVRDEDQJSA-N 1 0 385.508 3.564 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)C2 ZINC001171952230 905158206 /nfs/dbraw/zinc/15/82/06/905158206.db2.gz SYKFRARSXNFTCX-ADJUMVDMSA-N 1 0 379.541 3.572 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)CC2 ZINC001171953009 905159321 /nfs/dbraw/zinc/15/93/21/905159321.db2.gz DOLYFTSJQXUCMA-FQUBMZHMSA-N 1 0 376.541 3.532 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(F)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000189563455 905164603 /nfs/dbraw/zinc/16/46/03/905164603.db2.gz GQMOEVJCFBOHGL-RTWAWAEBSA-N 1 0 394.450 3.805 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173964806 905173492 /nfs/dbraw/zinc/17/34/92/905173492.db2.gz UOHFZHZWCBYVEQ-JKSUJKDBSA-N 1 0 396.447 3.589 20 30 GHEDRO CCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1CCCCC1 ZINC000299016807 921134157 /nfs/dbraw/zinc/13/41/57/921134157.db2.gz FIPALYIECTZWCH-GOSISDBHSA-N 1 0 380.492 3.804 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172099001 905319079 /nfs/dbraw/zinc/31/90/79/905319079.db2.gz TZMUWXZJAUUUEZ-LTIDMASMSA-N 1 0 378.538 3.581 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000627016743 905366978 /nfs/dbraw/zinc/36/69/78/905366978.db2.gz PGTVARGIHVSPQQ-IOASZLSFSA-N 1 0 391.384 3.751 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C1 ZINC001172182302 905398109 /nfs/dbraw/zinc/39/81/09/905398109.db2.gz KXATUFPFKXNOEY-SGNDLWITSA-N 1 0 399.538 3.972 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001172304479 905459225 /nfs/dbraw/zinc/45/92/25/905459225.db2.gz NHQBVXDJBJUENW-NWVWQQAFSA-N 1 0 375.516 3.996 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC001172305939 905461132 /nfs/dbraw/zinc/46/11/32/905461132.db2.gz HNOSIHOOSCTDIY-XXBNENTESA-N 1 0 387.527 3.970 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001172307751 905465239 /nfs/dbraw/zinc/46/52/39/905465239.db2.gz JBLAWOBZXDZTMD-GOSISDBHSA-N 1 0 396.560 3.565 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001172310301 905467633 /nfs/dbraw/zinc/46/76/33/905467633.db2.gz YAJPXWAAYKHOFB-NTKDMRAZSA-N 1 0 388.515 3.541 20 30 GHEDRO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312974 905468841 /nfs/dbraw/zinc/46/88/41/905468841.db2.gz NBWPXTFPDAHRRM-GBXCKJPGSA-N 1 0 377.532 3.712 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH2+]CC(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC001172350291 905519075 /nfs/dbraw/zinc/51/90/75/905519075.db2.gz MOUFDXPNOXOOFS-XLIONFOSSA-N 1 0 394.556 3.582 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001172354878 905524310 /nfs/dbraw/zinc/52/43/10/905524310.db2.gz LFNQGWICUWDUAV-MBDNFAEBSA-N 1 0 394.600 3.711 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001172355059 905525345 /nfs/dbraw/zinc/52/53/45/905525345.db2.gz MEKBVQBFYNVNOZ-KCZVDYSFSA-N 1 0 382.589 3.854 20 30 GHEDRO Cn1ccc2cccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c21 ZINC000190084048 905533460 /nfs/dbraw/zinc/53/34/60/905533460.db2.gz IPMGBTPAJLEDGH-UHFFFAOYSA-N 1 0 387.487 3.790 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]CC[C@@H]1CCOC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172481226 905558040 /nfs/dbraw/zinc/55/80/40/905558040.db2.gz RBOIRMPWIPCDTI-QZTJIDSGSA-N 1 0 379.545 3.855 20 30 GHEDRO CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001172451645 905570268 /nfs/dbraw/zinc/57/02/68/905570268.db2.gz SEKOGHKTULYKNN-NFBKMPQASA-N 1 0 385.552 3.681 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC001172487959 905595804 /nfs/dbraw/zinc/59/58/04/905595804.db2.gz JTTIRBKLUMNDJN-AWEZNQCLSA-N 1 0 378.314 3.726 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC001172498363 905599947 /nfs/dbraw/zinc/59/99/47/905599947.db2.gz MDOPKBYRHIBSED-KRWDZBQOSA-N 1 0 399.926 3.913 20 30 GHEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001172508875 905604186 /nfs/dbraw/zinc/60/41/86/905604186.db2.gz PXGQXQRJVLZHMQ-LJQANCHMSA-N 1 0 395.613 3.935 20 30 GHEDRO CCCCCCC[C@@H](CCC)[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001172511685 905605437 /nfs/dbraw/zinc/60/54/37/905605437.db2.gz UNGFZDLFVXUQKA-HSALFYBXSA-N 1 0 387.634 3.576 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@H](O)c3cccs3)o2)cc1 ZINC000175815564 905673028 /nfs/dbraw/zinc/67/30/28/905673028.db2.gz BIEWMODSZKSRLT-IRXDYDNUSA-N 1 0 380.473 3.758 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000175837680 905678552 /nfs/dbraw/zinc/67/85/52/905678552.db2.gz QMPWZOWBYAPEBW-MOPGFXCFSA-N 1 0 383.517 3.583 20 30 GHEDRO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c2ccccc21 ZINC001172972872 906036318 /nfs/dbraw/zinc/03/63/18/906036318.db2.gz CNSPSUONVXSZHZ-ROUUACIJSA-N 1 0 382.508 3.602 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C[C@H]1C#N ZINC001172977716 906043876 /nfs/dbraw/zinc/04/38/76/906043876.db2.gz DYIAEORKYAMPJS-DCGLDWPTSA-N 1 0 377.435 3.833 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2(O)CCC2)C[C@H]1C#N ZINC001172981958 906049177 /nfs/dbraw/zinc/04/91/77/906049177.db2.gz QSHFOLKBQZZGBW-QYZOEREBSA-N 1 0 385.508 3.524 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3ccccc3c3c2CC[NH2+]C3)C[C@H]1C#N ZINC001172983077 906049266 /nfs/dbraw/zinc/04/92/66/906049266.db2.gz GHXMHJVTFHJUBR-CVEARBPZSA-N 1 0 380.492 3.751 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C2 ZINC001173070140 906162153 /nfs/dbraw/zinc/16/21/53/906162153.db2.gz LOLGBJQFKWRLGP-MDPIYQRISA-N 1 0 394.556 3.601 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3CCc4ncsc4C3)cc(C#N)c21 ZINC001173141437 906228157 /nfs/dbraw/zinc/22/81/57/906228157.db2.gz PWBPBWBGBQYWDC-SCLBCKFNSA-N 1 0 378.501 3.708 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 ZINC001173309020 906362339 /nfs/dbraw/zinc/36/23/39/906362339.db2.gz RBBXSJXQWQLIRP-GTPINHCMSA-N 1 0 388.499 3.982 20 30 GHEDRO C=CCOC1CCC([N@@H+](CCOC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173322919 906371892 /nfs/dbraw/zinc/37/18/92/906371892.db2.gz PUYWWYXFASRBLO-GPJFCIFZSA-N 1 0 396.572 3.848 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OCCC[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173324621 906372458 /nfs/dbraw/zinc/37/24/58/906372458.db2.gz QVHQUFWDSMMOON-UHFFFAOYSA-N 1 0 379.545 3.855 20 30 GHEDRO Cc1cccc(CN2C(=O)CCC23CC[NH+](C2CCC(CC#N)CC2)CC3)n1 ZINC001173332595 906375318 /nfs/dbraw/zinc/37/53/18/906375318.db2.gz CFOOFNDYJVQEBH-UHFFFAOYSA-N 1 0 380.536 3.820 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]C1CCC(CC#N)CC1)CCO2 ZINC001173329822 906376172 /nfs/dbraw/zinc/37/61/72/906376172.db2.gz JPQGXTKVDMJNAA-ACBHZAAOSA-N 1 0 391.556 3.997 20 30 GHEDRO Cc1nc(CN2CC[C@]3(CCC[N@@H+](C4CCC(CC#N)CC4)C3)C2=O)cs1 ZINC001173333359 906377772 /nfs/dbraw/zinc/37/77/72/906377772.db2.gz NTKHEXWHIMAAIR-XTXLOEGASA-N 1 0 386.565 3.739 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCOCC3)C2)CC1 ZINC001173334965 906377919 /nfs/dbraw/zinc/37/79/19/906377919.db2.gz BIYDRDGDAKDNEA-RRIAHRGQSA-N 1 0 390.568 3.773 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)CC1 ZINC001173335346 906380018 /nfs/dbraw/zinc/38/00/18/906380018.db2.gz IPLWXXRFDGNZBS-VMAADFSISA-N 1 0 376.541 3.524 20 30 GHEDRO N#CCC1CCC([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CC1 ZINC001173335453 906380152 /nfs/dbraw/zinc/38/01/52/906380152.db2.gz MIVPCELWGHJHBA-GQJJNZPSSA-N 1 0 385.577 3.837 20 30 GHEDRO N#CCC1CCC([NH+]2CCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC001173336744 906380169 /nfs/dbraw/zinc/38/01/69/906380169.db2.gz KAXPAUPDFGJFKC-UHFFFAOYSA-N 1 0 390.325 3.679 20 30 GHEDRO N#CC[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001173394652 906421503 /nfs/dbraw/zinc/42/15/03/906421503.db2.gz AKDNMOASRVFRRE-HNNXBMFYSA-N 1 0 390.325 3.679 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001173407952 906435305 /nfs/dbraw/zinc/43/53/05/906435305.db2.gz OCMCNEFVIJFJGA-XMMPIXPASA-N 1 0 388.511 3.923 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC001173427427 906463006 /nfs/dbraw/zinc/46/30/06/906463006.db2.gz VRZBKHURTQSCQL-SFTDATJTSA-N 1 0 379.891 3.962 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173428681 906465009 /nfs/dbraw/zinc/46/50/09/906465009.db2.gz INGRYDSLKJZESC-HXUWFJFHSA-N 1 0 389.499 3.661 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH+]3CCC(c4cccc(C#N)c4)CC3)CC2)cc1 ZINC001173431535 906468788 /nfs/dbraw/zinc/46/87/88/906468788.db2.gz ICISRANXNMHIBB-UHFFFAOYSA-N 1 0 398.510 3.914 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@H+]3CCc4cccc(Cl)c4C3)CC2)cc1 ZINC001173434889 906470085 /nfs/dbraw/zinc/47/00/85/906470085.db2.gz SCBRHSSDSGDRDX-UHFFFAOYSA-N 1 0 379.891 3.875 20 30 GHEDRO COc1ccc2c(c1)C[N@H+](C1CCN(C(=O)c3ccc(C#N)cc3)CC1)CCC2 ZINC001173433975 906470243 /nfs/dbraw/zinc/47/02/43/906470243.db2.gz CDOXHUONLNOIHS-UHFFFAOYSA-N 1 0 389.499 3.620 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](C[NH2+]C3CCC(C)(C#N)CC3)CO2)C1 ZINC001173586806 906545451 /nfs/dbraw/zinc/54/54/51/906545451.db2.gz HIUBQKSGWXURKK-UKLGZHLBSA-N 1 0 391.556 3.855 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([NH2+]C1CCN(Cc3ccccc3C#N)CC1)CC2 ZINC001173605408 906558461 /nfs/dbraw/zinc/55/84/61/906558461.db2.gz DYTHQWIEGHNFNA-DJSMFCCRSA-N 1 0 395.547 3.624 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[C@H](CC(=O)OCC)C3)CC2)C1 ZINC001173641404 906625564 /nfs/dbraw/zinc/62/55/64/906625564.db2.gz OONJAHZMTNCPGT-OALUTQOASA-N 1 0 392.540 3.609 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001173729076 906695697 /nfs/dbraw/zinc/69/56/97/906695697.db2.gz HZRHGUVVGDBFND-DYESRHJHSA-N 1 0 378.472 3.819 20 30 GHEDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180550961 906791243 /nfs/dbraw/zinc/79/12/43/906791243.db2.gz NDRHYTUTHWVCPK-INIZCTEOSA-N 1 0 385.895 3.769 20 30 GHEDRO CCC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(C(F)(F)F)c1 ZINC000180866934 906865085 /nfs/dbraw/zinc/86/50/85/906865085.db2.gz RNAMIWPTKBHEFB-DVEDPGPFSA-N 1 0 381.398 3.663 20 30 GHEDRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)CC2)oc1C ZINC000181740196 907068079 /nfs/dbraw/zinc/06/80/79/907068079.db2.gz YEHADBWEEOHAOG-QGZVFWFLSA-N 1 0 382.508 3.757 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 ZINC000182529833 907223569 /nfs/dbraw/zinc/22/35/69/907223569.db2.gz DMAQRUYUZNQOBJ-QNOZYLDQSA-N 1 0 384.524 3.615 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182560861 907230226 /nfs/dbraw/zinc/23/02/26/907230226.db2.gz ZDCSMSXORCTYCV-ROUUACIJSA-N 1 0 392.503 3.598 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(-n2ccnn2)cc1 ZINC000191822230 907263613 /nfs/dbraw/zinc/26/36/13/907263613.db2.gz MSWVMGWKPIYJSW-CYBMUJFWSA-N 1 0 382.265 3.752 20 30 GHEDRO C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ncc(-c2ccccc2)o1 ZINC000299426484 921309050 /nfs/dbraw/zinc/30/90/50/921309050.db2.gz UXCPWHNUPVIDOE-CJNGLKHVSA-N 1 0 378.457 3.731 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001175062410 907339009 /nfs/dbraw/zinc/33/90/09/907339009.db2.gz PDVDNMFEMVOBPE-LOSJGSFVSA-N 1 0 398.506 3.992 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c(C#N)c1C ZINC000183601544 907419474 /nfs/dbraw/zinc/41/94/74/907419474.db2.gz VOFDPZXMQIPCMD-LSDHHAIUSA-N 1 0 377.448 3.632 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c(C#N)c1C ZINC000183601563 907419916 /nfs/dbraw/zinc/41/99/16/907419916.db2.gz VOFDPZXMQIPCMD-GJZGRUSLSA-N 1 0 377.448 3.632 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C#N)CCc3ccccc3)cc2F)CC1 ZINC001175284835 907462979 /nfs/dbraw/zinc/46/29/79/907462979.db2.gz UBANUUCAKBBOQD-IBGZPJMESA-N 1 0 394.494 3.679 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(F)c(C(F)(F)F)c3)C2=O)cc1 ZINC000192243563 907558004 /nfs/dbraw/zinc/55/80/04/907558004.db2.gz HMNKMMUZXHXSQM-SFHVURJKSA-N 1 0 391.368 3.607 20 30 GHEDRO C[N@H+](CCCCCCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)cc1 ZINC001175954731 907862808 /nfs/dbraw/zinc/86/28/08/907862808.db2.gz AJJZDKYOBIKMFF-UHFFFAOYSA-N 1 0 388.512 3.514 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H]1CCCC[C@@H]1C)[n+]1cccc(C)c1 ZINC000186963125 908012213 /nfs/dbraw/zinc/01/22/13/908012213.db2.gz MZASDWDRFURGJK-WMLDXEAASA-O 1 0 386.541 3.994 20 30 GHEDRO CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC001176782713 908247642 /nfs/dbraw/zinc/24/76/42/908247642.db2.gz MVHUYCALGPQGRL-QZTJIDSGSA-N 1 0 398.551 3.621 20 30 GHEDRO CCOc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Br ZINC000189495215 908333900 /nfs/dbraw/zinc/33/39/00/908333900.db2.gz JVNXTCWVMCSXLB-UHFFFAOYSA-N 1 0 397.317 3.547 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192471076 908790767 /nfs/dbraw/zinc/79/07/67/908790767.db2.gz WFFJJTSRJQAFBT-UHFFFAOYSA-N 1 0 379.435 3.621 20 30 GHEDRO N#Cc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cs1 ZINC001177919125 908804441 /nfs/dbraw/zinc/80/44/41/908804441.db2.gz JHSXSJZHTQUDDE-OAQYLSRUSA-N 1 0 375.497 3.637 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@@H+]1C ZINC000266335946 909085694 /nfs/dbraw/zinc/08/56/94/909085694.db2.gz FPQZDFPNLLCYKG-WMLDXEAASA-N 1 0 383.521 3.552 20 30 GHEDRO O=C(C#Cc1ccc(F)cc1F)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001178568913 909126477 /nfs/dbraw/zinc/12/64/77/909126477.db2.gz NSQDEHRYZFJYEP-JDKSZYQJSA-N 1 0 396.481 3.738 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001179081365 909378126 /nfs/dbraw/zinc/37/81/26/909378126.db2.gz FYNPOAQFDRBIIQ-PMACEKPBSA-N 1 0 398.551 3.962 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(F)cc1F)C(=S)NC1CC1 ZINC000267387938 909477021 /nfs/dbraw/zinc/47/70/21/909477021.db2.gz VLYRWXZEJXEJCU-UHFFFAOYSA-O 1 0 375.464 3.814 20 30 GHEDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C#N)ccc3Br)C2)cc1 ZINC001179405721 909528468 /nfs/dbraw/zinc/52/84/68/909528468.db2.gz GRGFUBYHQCRBME-IBGZPJMESA-N 1 0 384.321 3.993 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC000245561157 909741569 /nfs/dbraw/zinc/74/15/69/909741569.db2.gz NHNXPROLBINXHK-QHCPKHFHSA-N 1 0 390.531 3.821 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](C)C1 ZINC000268578583 909936381 /nfs/dbraw/zinc/93/63/81/909936381.db2.gz JWYFPLRTZGOMLC-KXBFYZLASA-N 1 0 397.548 3.800 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000795335093 909964231 /nfs/dbraw/zinc/96/42/31/909964231.db2.gz UJKJLJSEJCLMNS-RXVVDRJESA-N 1 0 377.463 3.685 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C#N)c1c(Cl)cccc1Cl)C2 ZINC001274443812 910017485 /nfs/dbraw/zinc/01/74/85/910017485.db2.gz JNFQAIMQPPLEOB-AUUYWEPGSA-N 1 0 380.319 3.935 20 30 GHEDRO C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C#N)c1c(Cl)cccc1Cl)CC2 ZINC001274445624 910032515 /nfs/dbraw/zinc/03/25/15/910032515.db2.gz QPUGHXNSFSJCAH-CQSZACIVSA-N 1 0 380.319 3.935 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926614 910277571 /nfs/dbraw/zinc/27/75/71/910277571.db2.gz JFMAEXQEYYPLMU-TXEJJXNPSA-N 1 0 384.295 3.552 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246489740 910328257 /nfs/dbraw/zinc/32/82/57/910328257.db2.gz HAMJUDLFHLOUQC-VQTJNVASSA-N 1 0 384.451 3.673 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639274838 910373142 /nfs/dbraw/zinc/37/31/42/910373142.db2.gz KUUCEXAFOQSASQ-AITUJVMLSA-N 1 0 379.342 3.765 20 30 GHEDRO N#CCOc1cccc(CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000270440510 910567546 /nfs/dbraw/zinc/56/75/46/910567546.db2.gz JOGQIGMULVIVOC-UHFFFAOYSA-N 1 0 377.488 3.799 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1C ZINC000795489829 910678086 /nfs/dbraw/zinc/67/80/86/910678086.db2.gz ZOYRFANCDPCYJV-HTAPYJJXSA-N 1 0 397.544 3.904 20 30 GHEDRO CN(C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)C1(C#N)CCCCC1 ZINC000246896247 910738544 /nfs/dbraw/zinc/73/85/44/910738544.db2.gz BHVZDOMUGBZORM-RTBURBONSA-N 1 0 387.524 3.633 20 30 GHEDRO CS(=O)(=O)Nc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000271069774 910773878 /nfs/dbraw/zinc/77/38/78/910773878.db2.gz KTIWSSZDNXMBHQ-UHFFFAOYSA-N 1 0 383.517 3.552 20 30 GHEDRO N#CCCn1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(-c2ccccc2)n1 ZINC000271109798 910784497 /nfs/dbraw/zinc/78/44/97/910784497.db2.gz UANNFWPBBQERTJ-UHFFFAOYSA-N 1 0 399.498 3.727 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000271168111 910802174 /nfs/dbraw/zinc/80/21/74/910802174.db2.gz LFCVJALWDCBKFA-UHFFFAOYSA-N 1 0 378.472 3.645 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCNC(=O)c2c(F)cccc2F)CC1 ZINC000271470449 910916270 /nfs/dbraw/zinc/91/62/70/910916270.db2.gz LTAYUUATCOWBQW-UHFFFAOYSA-N 1 0 383.442 3.688 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000817537748 911006026 /nfs/dbraw/zinc/00/60/26/911006026.db2.gz RCDKEFJFFIZFOV-UHFFFAOYSA-N 1 0 390.531 3.883 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1 ZINC001182245561 911330561 /nfs/dbraw/zinc/33/05/61/911330561.db2.gz QFYOAADUCMVEQF-XZOQPEGZSA-N 1 0 377.532 3.626 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C#N)cc1 ZINC000774133174 911437642 /nfs/dbraw/zinc/43/76/42/911437642.db2.gz DCWPUWBEGUHMDQ-IRLDBZIGSA-N 1 0 376.504 3.501 20 30 GHEDRO C=CCN(CC=C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366520014 921664235 /nfs/dbraw/zinc/66/42/35/921664235.db2.gz ZUKNYHZKVGZJEO-FQEVSTJZSA-N 1 0 379.508 3.844 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182341986 911513692 /nfs/dbraw/zinc/51/36/92/911513692.db2.gz TZBJHZICDNZXPR-KRWDZBQOSA-N 1 0 381.451 3.865 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000283459106 911515285 /nfs/dbraw/zinc/51/52/85/911515285.db2.gz JCCXDBUHUXYSGO-OALUTQOASA-N 1 0 380.540 3.617 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)COC1(C)C ZINC001182435026 911659565 /nfs/dbraw/zinc/65/95/65/911659565.db2.gz RGLQTEXCUHCOOQ-MJGOQNOKSA-N 1 0 385.508 3.897 20 30 GHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)cn1 ZINC000283827645 911662201 /nfs/dbraw/zinc/66/22/01/911662201.db2.gz FZWGCXRYMOWTEE-UHFFFAOYSA-N 1 0 395.507 3.765 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NC1(C)CC1)[n+]1ccc(C(C)(C)C)cc1 ZINC000283988832 911714006 /nfs/dbraw/zinc/71/40/06/911714006.db2.gz GXGQLPBWFLQAMO-UHFFFAOYSA-O 1 0 386.541 3.957 20 30 GHEDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285132646 912178728 /nfs/dbraw/zinc/17/87/28/912178728.db2.gz QFXHQDDECRONAA-QGZVFWFLSA-N 1 0 388.531 3.540 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291112881 914985107 /nfs/dbraw/zinc/98/51/07/914985107.db2.gz SYLMPZOTOGWVCN-GOSISDBHSA-N 1 0 391.519 3.807 20 30 GHEDRO C#CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc(Br)cc3)C2)C1=O ZINC001275590072 915090942 /nfs/dbraw/zinc/09/09/42/915090942.db2.gz RQTOJMVMVTTWTO-OAQYLSRUSA-N 1 0 395.300 3.573 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802010987 921751197 /nfs/dbraw/zinc/75/11/97/921751197.db2.gz KWYABQZDLKEELK-XMSQKQJNSA-N 1 0 393.572 3.523 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802010986 921752105 /nfs/dbraw/zinc/75/21/05/921752105.db2.gz KWYABQZDLKEELK-PGRDOPGGSA-N 1 0 393.572 3.523 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000303867863 915225456 /nfs/dbraw/zinc/22/54/56/915225456.db2.gz DBEFHEJUFCUQSO-AWEZNQCLSA-N 1 0 382.291 3.777 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000303870400 915228355 /nfs/dbraw/zinc/22/83/55/915228355.db2.gz BGHKDIMNIDUJCB-QGZVFWFLSA-N 1 0 387.549 3.932 20 30 GHEDRO COc1ccc(OCCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000303877547 915236795 /nfs/dbraw/zinc/23/67/95/915236795.db2.gz IQDFQBPBRHFCRV-UHFFFAOYSA-N 1 0 383.370 3.790 20 30 GHEDRO N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Br)cs1 ZINC001275610448 915292031 /nfs/dbraw/zinc/29/20/31/915292031.db2.gz GBDHWBXTWAGRCY-KRWDZBQOSA-N 1 0 396.354 3.771 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2OC)c1 ZINC000303890020 915293061 /nfs/dbraw/zinc/29/30/61/915293061.db2.gz RTEDTVYPBSEWCO-IBGZPJMESA-N 1 0 382.460 3.800 20 30 GHEDRO [NH2+]=C(NCCc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303882664 915294439 /nfs/dbraw/zinc/29/44/39/915294439.db2.gz IGGOOTUBFDFCEM-UHFFFAOYSA-N 1 0 395.381 3.716 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCC2(c3ccc(Cl)cc3)CC2)cc1OC ZINC000303981693 915347561 /nfs/dbraw/zinc/34/75/61/915347561.db2.gz PHTVNSDANGFKDQ-UHFFFAOYSA-N 1 0 387.911 3.536 20 30 GHEDRO C[C@H](NC(=[NH2+])NCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000303989594 915350321 /nfs/dbraw/zinc/35/03/21/915350321.db2.gz XQKCYCDOMKVATJ-LBPRGKRZSA-N 1 0 391.302 3.548 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)C(=O)N(CCC#N)c1ccccc1 ZINC000291811108 915373802 /nfs/dbraw/zinc/37/38/02/915373802.db2.gz CYBYWWICDJUAPN-TWOQFEAHSA-N 1 0 383.517 3.675 20 30 GHEDRO [NH2+]=C(NC[C@@H](O)COc1ccc(F)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304485145 915525046 /nfs/dbraw/zinc/52/50/46/915525046.db2.gz JSYJQASWTVRPRF-GOSISDBHSA-N 1 0 395.434 3.785 20 30 GHEDRO CCOc1c(Cl)cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1OC ZINC000304514956 915526666 /nfs/dbraw/zinc/52/66/66/915526666.db2.gz VEQMIKQJTAYKNM-INIZCTEOSA-N 1 0 389.883 3.675 20 30 GHEDRO [NH2+]=C(NCc1cccnc1Oc1cccc(F)c1)N[C@H]1CCOc2ccccc21 ZINC000304504565 915526754 /nfs/dbraw/zinc/52/67/54/915526754.db2.gz TXLDWRLKWYIHPG-IBGZPJMESA-N 1 0 392.434 3.941 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1C ZINC000292304708 915610197 /nfs/dbraw/zinc/61/01/97/915610197.db2.gz DKZCLWXMFWFFRN-HTAPYJJXSA-N 1 0 397.544 3.904 20 30 GHEDRO N#CCCCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000292436642 915676436 /nfs/dbraw/zinc/67/64/36/915676436.db2.gz RGSRPSMPLLCFDL-QFIPXVFZSA-N 1 0 376.504 3.769 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC#Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000304762074 915700556 /nfs/dbraw/zinc/70/05/56/915700556.db2.gz VGLZLOMPPAKXPK-UHFFFAOYSA-N 1 0 377.366 3.501 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1ccc([S@@](C)=O)cc1)c1ccc(Cl)cc1Cl ZINC000304797713 915702111 /nfs/dbraw/zinc/70/21/11/915702111.db2.gz WYAJFXUNDGSZIT-APXPCNQMSA-N 1 0 384.332 3.896 20 30 GHEDRO C#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(=O)OCC)CC3)c2)cc1 ZINC001188735233 916165397 /nfs/dbraw/zinc/16/53/97/916165397.db2.gz SVMFPYKMKXBPHR-UHFFFAOYSA-N 1 0 390.483 3.695 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000362489445 917297380 /nfs/dbraw/zinc/29/73/80/917297380.db2.gz VMFZFXBSQQTCMJ-NRFANRHFSA-N 1 0 396.535 3.593 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000362798135 917424771 /nfs/dbraw/zinc/42/47/71/917424771.db2.gz RXDIDWNZLZWIOO-MJGOQNOKSA-N 1 0 378.476 3.716 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000775399852 917444074 /nfs/dbraw/zinc/44/40/74/917444074.db2.gz VLMSDASSUOBJEJ-QGZVFWFLSA-N 1 0 384.863 3.794 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000796466804 917561756 /nfs/dbraw/zinc/56/17/56/917561756.db2.gz RPTMYNNUCXSPPP-QGZVFWFLSA-N 1 0 384.549 3.670 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000362963659 917564175 /nfs/dbraw/zinc/56/41/75/917564175.db2.gz CCKOUBKLRJABHF-LDQXTDLNSA-N 1 0 398.547 3.669 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)c1 ZINC001190928145 917643794 /nfs/dbraw/zinc/64/37/94/917643794.db2.gz IZZMTXNOLKCJPE-PKOBYXMFSA-N 1 0 394.544 3.681 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)CCc3ccc(C#N)cc3)CC2)cc1 ZINC000363045115 917672824 /nfs/dbraw/zinc/67/28/24/917672824.db2.gz CKTFOPXGCRUAHR-UHFFFAOYSA-N 1 0 391.515 3.528 20 30 GHEDRO C=CCC[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccc(C(F)(F)F)cc1 ZINC000652172052 917825723 /nfs/dbraw/zinc/82/57/23/917825723.db2.gz JBJOSYXKKRNKCK-BPQIPLTHSA-N 1 0 399.457 3.718 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001191549851 918068049 /nfs/dbraw/zinc/06/80/49/918068049.db2.gz HMZWODJSQOXNBH-ZLNRFVROSA-N 1 0 394.515 3.666 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3c(O)cccc3Cl)CC2)C1=O ZINC001275838217 918340912 /nfs/dbraw/zinc/34/09/12/918340912.db2.gz UIYWOTAFKFGLKN-FQEVSTJZSA-N 1 0 375.900 3.554 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC001192070776 918405037 /nfs/dbraw/zinc/40/50/37/918405037.db2.gz NHBRXVAXKBTNQD-DEOSSOPVSA-N 1 0 394.474 3.860 20 30 GHEDRO Cc1ccnc(C2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)n1 ZINC000363789341 918862172 /nfs/dbraw/zinc/86/21/72/918862172.db2.gz FAYIQFCEGDIPST-UHFFFAOYSA-N 1 0 387.487 3.716 20 30 GHEDRO COc1cccc(C[N@H+](CCOc2ccc(C#N)cc2)C2CCC(O)CC2)c1 ZINC000116645222 919514584 /nfs/dbraw/zinc/51/45/84/919514584.db2.gz YXAAPVSFTIRWMO-UHFFFAOYSA-N 1 0 380.488 3.751 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000283374141 919619459 /nfs/dbraw/zinc/61/94/59/919619459.db2.gz URFFHEAFLWSYKT-MRXNPFEDSA-N 1 0 388.947 3.738 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000900223345 920029038 /nfs/dbraw/zinc/02/90/38/920029038.db2.gz JFAWHWRCVCRELT-KRWDZBQOSA-N 1 0 397.494 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCCSCC#N)C[C@H]1c1ccccc1 ZINC000800486142 920170052 /nfs/dbraw/zinc/17/00/52/920170052.db2.gz CSGJJUPQZXQEHR-ZWKOTPCHSA-N 1 0 375.538 3.626 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000800601003 920308347 /nfs/dbraw/zinc/30/83/47/920308347.db2.gz WBEQYJLHKDBEFA-UHFFFAOYSA-N 1 0 397.563 3.905 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(C)c(Br)c3)C2)C1=O ZINC001275964628 920319095 /nfs/dbraw/zinc/31/90/95/920319095.db2.gz MYIBHFXHHPGOFR-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3ccc(F)cc3Br)CC2)C1=O ZINC001275965061 920329509 /nfs/dbraw/zinc/32/95/09/920329509.db2.gz BRKJFBUALZXTMW-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000800882842 920562968 /nfs/dbraw/zinc/56/29/68/920562968.db2.gz CYEZIZRYAPBNEJ-QUCCMNQESA-N 1 0 377.488 3.614 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)c(C)c3)CC2)C1=O ZINC001275977730 920633487 /nfs/dbraw/zinc/63/34/87/920633487.db2.gz PJPWESDPMLPCTH-FQEVSTJZSA-N 1 0 389.337 3.595 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Br)s1)CC2 ZINC001275979023 920637688 /nfs/dbraw/zinc/63/76/88/920637688.db2.gz CEDOOYGXYQYVJY-UHFFFAOYSA-N 1 0 383.355 3.901 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC000802652675 922306010 /nfs/dbraw/zinc/30/60/10/922306010.db2.gz QIKANIFJBXAAOZ-APWZRJJASA-N 1 0 388.943 3.971 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc(C#N)c1 ZINC000902764836 922481703 /nfs/dbraw/zinc/48/17/03/922481703.db2.gz IWLZVWHQLCYDIY-VXKWHMMOSA-N 1 0 377.488 3.708 20 30 GHEDRO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000902784276 922491441 /nfs/dbraw/zinc/49/14/41/922491441.db2.gz RWHXEOSPDVUPMU-LAUBAEHRSA-N 1 0 376.504 3.789 20 30 GHEDRO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1Br ZINC000903012536 922709799 /nfs/dbraw/zinc/70/97/99/922709799.db2.gz QDQQJRKQWITMSH-WMLDXEAASA-N 1 0 388.309 3.526 20 30 GHEDRO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1cccc(C#N)c1 ZINC000903103427 922775994 /nfs/dbraw/zinc/77/59/94/922775994.db2.gz HUOAJZVWKMZZJX-SNRMKQJTSA-N 1 0 385.508 3.671 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H](NCC1(C#N)CC1)c1ccccc1O2 ZINC000903106074 922777015 /nfs/dbraw/zinc/77/70/15/922777015.db2.gz MINTVXOBCXYVBY-JTSKRJEESA-N 1 0 383.492 3.783 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903192525 922843175 /nfs/dbraw/zinc/84/31/75/922843175.db2.gz NPYPHCWHSFLBKO-CYBMUJFWSA-N 1 0 382.407 3.897 20 30 GHEDRO CO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000369580998 923455024 /nfs/dbraw/zinc/45/50/24/923455024.db2.gz XDIXWFADSJUBJO-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000748798378 923835364 /nfs/dbraw/zinc/83/53/64/923835364.db2.gz XMUQTEIGXXSXOD-UHFFFAOYSA-N 1 0 395.466 3.682 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)ccc1OC ZINC000678271039 924700350 /nfs/dbraw/zinc/70/03/50/924700350.db2.gz XZDHYZLPYDSVMM-UHFFFAOYSA-N 1 0 394.515 3.669 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000678603646 924837105 /nfs/dbraw/zinc/83/71/05/924837105.db2.gz ATNXMMGVMFIYGG-KRWDZBQOSA-N 1 0 390.471 3.726 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1)C(C)C ZINC000678670120 924880383 /nfs/dbraw/zinc/88/03/83/924880383.db2.gz VHMRFLSDYIWZHK-PWRODBHTSA-N 1 0 377.573 3.533 20 30 GHEDRO C#C[C@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C1CCOCC1 ZINC000827570327 925822784 /nfs/dbraw/zinc/82/27/84/925822784.db2.gz LVSMYYQXHVQXFR-FQEVSTJZSA-N 1 0 383.517 3.654 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(Cl)nc3F)C[C@@H]2c2ccccc2)C1=O ZINC001137471791 925937714 /nfs/dbraw/zinc/93/77/14/925937714.db2.gz APJBUVVNJKUICR-GCJKJVERSA-N 1 0 399.897 3.878 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3cc(C#N)ccc3F)CCCC2)cc1OC ZINC000133072798 926050964 /nfs/dbraw/zinc/05/09/64/926050964.db2.gz LBWDBIGSZJVXJD-UHFFFAOYSA-N 1 0 397.450 3.756 20 30 GHEDRO CSc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000411231006 926231405 /nfs/dbraw/zinc/23/14/05/926231405.db2.gz XITDVPYOBXVKQA-SFHVURJKSA-N 1 0 398.528 3.563 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccc(C)cc3)cc2F)c1C#N ZINC000133571386 926324188 /nfs/dbraw/zinc/32/41/88/926324188.db2.gz FECZGMWGBXEVIK-UHFFFAOYSA-N 1 0 391.450 3.800 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000373861301 926502238 /nfs/dbraw/zinc/50/22/38/926502238.db2.gz XXOMXHXFWQYWQV-JOCHJYFZSA-N 1 0 391.515 3.548 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1)C(C)C ZINC000726054320 926540667 /nfs/dbraw/zinc/54/06/67/926540667.db2.gz MUYQVPITTZEQPB-UHFFFAOYSA-N 1 0 379.460 3.584 20 30 GHEDRO C#Cc1cccc(NC(=S)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000726459899 926679721 /nfs/dbraw/zinc/67/97/21/926679721.db2.gz SAPFPYWHMLPPPB-HDICACEKSA-N 1 0 393.556 3.764 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000374205152 926896953 /nfs/dbraw/zinc/89/69/53/926896953.db2.gz NJULJCGVINJMQC-UHFFFAOYSA-N 1 0 399.583 3.509 20 30 GHEDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C1CC1 ZINC000411969280 926958143 /nfs/dbraw/zinc/95/81/43/926958143.db2.gz LGMKXUSXGXBWCF-QTCYRWPVSA-N 1 0 389.565 3.866 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)c(C#N)c1C ZINC000412008035 927012328 /nfs/dbraw/zinc/01/23/28/927012328.db2.gz JZOSZNGVJPNTGF-OAQYLSRUSA-N 1 0 395.503 3.980 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412074853 927063904 /nfs/dbraw/zinc/06/39/04/927063904.db2.gz RHYBCCOEYOAIII-IRXDYDNUSA-N 1 0 385.508 3.719 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2ccc(C#N)cn2)cc1 ZINC000780248604 927338965 /nfs/dbraw/zinc/33/89/65/927338965.db2.gz CDDGSFZISSQUIX-UHFFFAOYSA-N 1 0 399.498 3.681 20 30 GHEDRO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccnc(Br)c3)C2)C1=O ZINC001276213125 927717352 /nfs/dbraw/zinc/71/73/52/927717352.db2.gz OADVCPPSYGXOQZ-FQEVSTJZSA-N 1 0 398.304 3.520 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750860367 927901654 /nfs/dbraw/zinc/90/16/54/927901654.db2.gz WWTHYUOKSAFLSL-UHFFFAOYSA-N 1 0 380.492 3.777 20 30 GHEDRO C=CCC1(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCCCC1 ZINC000412886232 927949356 /nfs/dbraw/zinc/94/93/56/927949356.db2.gz USKMKINUZSLAQV-UHFFFAOYSA-N 1 0 397.563 3.527 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000751559031 928248731 /nfs/dbraw/zinc/24/87/31/928248731.db2.gz NGQMJHVACWSIEA-FGZHOGPDSA-N 1 0 377.488 3.865 20 30 GHEDRO C=CCCC[N@@H+](C)Cn1nc(-c2ccc(I)cc2)nc1C ZINC000751595993 928266256 /nfs/dbraw/zinc/26/62/56/928266256.db2.gz VNUINKQZYJOOOJ-UHFFFAOYSA-N 1 0 396.276 3.714 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3occc3Br)CC2)C1=O ZINC001276248744 928339016 /nfs/dbraw/zinc/33/90/16/928339016.db2.gz MTGKHTUFDCQIGF-SFHVURJKSA-N 1 0 381.314 3.823 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1C#N ZINC000752308837 928746884 /nfs/dbraw/zinc/74/68/84/928746884.db2.gz VOZNIIHDWWXETG-GASCZTMLSA-N 1 0 387.484 3.511 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ncc(Cl)c(C)c3C#N)C2)cc(OC)c1 ZINC000544067738 928761276 /nfs/dbraw/zinc/76/12/76/928761276.db2.gz VJDZXAVDVKPXBN-HNNXBMFYSA-N 1 0 386.883 3.619 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000544142462 928859810 /nfs/dbraw/zinc/85/98/10/928859810.db2.gz SGFUSTZKQSBBAX-GOSISDBHSA-N 1 0 381.442 3.766 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000467271440 928899103 /nfs/dbraw/zinc/89/91/03/928899103.db2.gz NWADZCCLXUAVFC-LJQANCHMSA-N 1 0 394.519 3.653 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000467297657 928931368 /nfs/dbraw/zinc/93/13/68/928931368.db2.gz IOGGLLKJEVXFQF-HZPDHXFCSA-N 1 0 389.565 3.822 20 30 GHEDRO C[C@@H]([NH2+]CCCSCC#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000544510423 929236952 /nfs/dbraw/zinc/23/69/52/929236952.db2.gz UUIJZVFQINHNIJ-LLVKDONJSA-N 1 0 381.299 3.797 20 30 GHEDRO CCc1nnc(NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c(C#N)c1CC ZINC000467746592 929366423 /nfs/dbraw/zinc/36/64/23/929366423.db2.gz OKSZRHHQDPVQNX-OAQYLSRUSA-N 1 0 379.508 3.731 20 30 GHEDRO Cc1cc2c(o1)c(C(=O)N(CCC#N)CCC[NH+](C)C)ccc2Br ZINC000467835740 929485684 /nfs/dbraw/zinc/48/56/84/929485684.db2.gz YCZQTQWBCXQWTQ-UHFFFAOYSA-N 1 0 392.297 3.811 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC)CC[N@@H+]1Cc1ccccc1 ZINC000544787082 929586298 /nfs/dbraw/zinc/58/62/98/929586298.db2.gz CORPEKQMQMYXDH-LJQANCHMSA-N 1 0 378.476 3.695 20 30 GHEDRO CCC[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[N@@H+]1CCOC ZINC000469727364 930115958 /nfs/dbraw/zinc/11/59/58/930115958.db2.gz XBXNCDSTDWWYDI-LJQANCHMSA-N 1 0 396.535 3.518 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 ZINC000759051646 930257781 /nfs/dbraw/zinc/25/77/81/930257781.db2.gz PWQINCQCAFJDHT-UHFFFAOYSA-O 1 0 385.459 3.565 20 30 GHEDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000469990761 930299494 /nfs/dbraw/zinc/29/94/94/930299494.db2.gz JQWQGWVUNIIGHF-QHCPKHFHSA-N 1 0 394.471 3.531 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546708098 930372486 /nfs/dbraw/zinc/37/24/86/930372486.db2.gz UPKIDMJXWBBWHQ-VQIMIIECSA-N 1 0 378.476 3.599 20 30 GHEDRO CS[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1[NH+](C)C ZINC000546837669 930473849 /nfs/dbraw/zinc/47/38/49/930473849.db2.gz ITUBRHWAAYNPBQ-UXHICEINSA-N 1 0 396.516 3.860 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)c2)CC1 ZINC000781012870 930672300 /nfs/dbraw/zinc/67/23/00/930672300.db2.gz AUXITQJSHFRDLC-QFIPXVFZSA-N 1 0 377.488 3.505 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470907967 931021293 /nfs/dbraw/zinc/02/12/93/931021293.db2.gz GLGVMDTVTWHQPD-KRWDZBQOSA-N 1 0 387.480 3.769 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000470926105 931038006 /nfs/dbraw/zinc/03/80/06/931038006.db2.gz NNCIRKOPZCWFGH-FQEVSTJZSA-N 1 0 381.451 3.707 20 30 GHEDRO N#CC1(CS(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCCCC1 ZINC000547468373 931048582 /nfs/dbraw/zinc/04/85/82/931048582.db2.gz HOTXDCVWPYNZHM-UHFFFAOYSA-N 1 0 389.565 3.566 20 30 GHEDRO CO[C@@]1(C(F)(F)F)CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983086 931051089 /nfs/dbraw/zinc/05/10/89/931051089.db2.gz FBALOMIIFDNRET-APWZRJJASA-N 1 0 397.441 3.674 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000557177093 931247291 /nfs/dbraw/zinc/24/72/91/931247291.db2.gz BMJJHVHJUYYKPT-LJQANCHMSA-N 1 0 385.552 3.540 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000557342930 931358693 /nfs/dbraw/zinc/35/86/93/931358693.db2.gz RMMXAQYRBGTWEK-QFBILLFUSA-N 1 0 388.920 3.972 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753395 931524694 /nfs/dbraw/zinc/52/46/94/931524694.db2.gz PFZDPJYKBQRIEL-MOPGFXCFSA-N 1 0 392.588 3.627 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000783517624 931569952 /nfs/dbraw/zinc/56/99/52/931569952.db2.gz HHVQUTPCCQNYQD-AWEZNQCLSA-N 1 0 394.450 3.553 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NN1C(=S)N=NC1c1cccc(Cl)c1 ZINC000783813188 931664590 /nfs/dbraw/zinc/66/45/90/931664590.db2.gz JTDHMYLVIUQTSJ-UHFFFAOYSA-N 1 0 395.879 3.659 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000925314558 931740023 /nfs/dbraw/zinc/74/00/23/931740023.db2.gz HCAKAWWIOLRCPT-IIBYNOLFSA-N 1 0 378.476 3.546 20 30 GHEDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)[nH]n1 ZINC000925560250 931823134 /nfs/dbraw/zinc/82/31/34/931823134.db2.gz FGMWNWMQJGJUCT-RDJZCZTQSA-N 1 0 389.544 3.558 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000558133312 931853308 /nfs/dbraw/zinc/85/33/08/931853308.db2.gz LLATWWYUUJNBNO-CRAIPNDOSA-N 1 0 392.421 3.880 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000558258303 931907649 /nfs/dbraw/zinc/90/76/49/931907649.db2.gz JFWNRLZAZIJBCF-UHFFFAOYSA-N 1 0 394.519 3.715 20 30 GHEDRO CC(C)(C)OC(=O)N(CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000796749502 932053074 /nfs/dbraw/zinc/05/30/74/932053074.db2.gz NRLZZFXZZPACMO-UHFFFAOYSA-N 1 0 398.551 3.906 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1cccs1 ZINC000558536616 932060645 /nfs/dbraw/zinc/06/06/45/932060645.db2.gz NKOULHCERNOXBB-FXAWDEMLSA-N 1 0 394.544 3.991 20 30 GHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000558670050 932153845 /nfs/dbraw/zinc/15/38/45/932153845.db2.gz BMTGPBRSEUEIPD-UHFFFAOYSA-N 1 0 397.567 3.620 20 30 GHEDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926539382 932221989 /nfs/dbraw/zinc/22/19/89/932221989.db2.gz JPQDAVZKMHBKKJ-BQFCYCMXSA-N 1 0 379.545 3.709 20 30 GHEDRO CCn1cc([C@H](C)[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000926541541 932222520 /nfs/dbraw/zinc/22/25/20/932222520.db2.gz KBCBLOIHTKPOSI-IRXDYDNUSA-N 1 0 389.544 3.873 20 30 GHEDRO COC1([C@@H](C)[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000926590979 932239286 /nfs/dbraw/zinc/23/92/86/932239286.db2.gz ASZCWRGJLLKTNI-IAGOWNOFSA-N 1 0 379.545 3.853 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)CC1 ZINC000558845050 932270164 /nfs/dbraw/zinc/27/01/64/932270164.db2.gz OJMSOZWYTPNMHJ-UHFFFAOYSA-N 1 0 380.492 3.838 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000926799339 932310872 /nfs/dbraw/zinc/31/08/72/932310872.db2.gz RNRLVTYRMGFJRI-MGPQQGTHSA-N 1 0 375.435 3.846 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000926823612 932318653 /nfs/dbraw/zinc/31/86/53/932318653.db2.gz GSLZNRZNEAWXJV-YDZRNGNQSA-N 1 0 391.556 3.853 20 30 GHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000559248652 932549737 /nfs/dbraw/zinc/54/97/37/932549737.db2.gz XIGITAAJXVMZSQ-HTAPYJJXSA-N 1 0 395.478 3.508 20 30 GHEDRO C[N@H+](CCCOc1ccc(Cl)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000559370706 932635606 /nfs/dbraw/zinc/63/56/06/932635606.db2.gz LHACMAITHKCGCV-FQEVSTJZSA-N 1 0 383.879 3.718 20 30 GHEDRO CC(C)[C@@H](C(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)[NH+](C)C ZINC000798860949 932800693 /nfs/dbraw/zinc/80/06/93/932800693.db2.gz CEJUSSNWUUNWQD-ZDUSSCGKSA-N 1 0 375.284 3.891 20 30 GHEDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C[C@@H](C)O2 ZINC000560051167 933036499 /nfs/dbraw/zinc/03/64/99/933036499.db2.gz UMEIRVDOSHCFOE-IMWIBFENSA-N 1 0 392.499 3.906 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001116032790 933295150 /nfs/dbraw/zinc/29/51/50/933295150.db2.gz QHSBBFLYHVXRMK-FCHUYYIVSA-N 1 0 377.488 3.740 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000929257094 933307137 /nfs/dbraw/zinc/30/71/37/933307137.db2.gz FEZKRLNRTANPFS-UHFFFAOYSA-N 1 0 382.552 3.670 20 30 GHEDRO N#Cc1cc(Cl)cc(Br)c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000561224445 933971660 /nfs/dbraw/zinc/97/16/60/933971660.db2.gz ASUKGQPLKIXTOW-GFCCVEGCSA-N 1 0 398.732 3.887 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN(CC)Cc1ccccc1Cl ZINC000561225252 933971789 /nfs/dbraw/zinc/97/17/89/933971789.db2.gz LGICJZNRODRMGM-UHFFFAOYSA-N 1 0 390.911 3.852 20 30 GHEDRO N#Cc1cccc(NC(=O)CCNc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC001118155436 934099205 /nfs/dbraw/zinc/09/92/05/934099205.db2.gz JGWXILJJNFFRBJ-UHFFFAOYSA-N 1 0 394.544 3.590 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000930638686 934154615 /nfs/dbraw/zinc/15/46/15/934154615.db2.gz JSFMKQCQKZGFAF-TZJYRCSTSA-N 1 0 391.556 3.711 20 30 GHEDRO C=CCOc1cc(OC)ccc1-c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000561873059 934526574 /nfs/dbraw/zinc/52/65/74/934526574.db2.gz LSKDTECWLLHLLQ-UHFFFAOYSA-N 1 0 395.459 3.917 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000561983149 934606479 /nfs/dbraw/zinc/60/64/79/934606479.db2.gz SEVRMKQUKNPIRQ-UHFFFAOYSA-N 1 0 391.374 3.716 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001121553583 934695424 /nfs/dbraw/zinc/69/54/24/934695424.db2.gz UDZQKISJRQJRNY-CVEARBPZSA-N 1 0 396.495 3.546 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCS[C@H](c2ccccc2)C1 ZINC001121619899 934717542 /nfs/dbraw/zinc/71/75/42/934717542.db2.gz GLHUZCGECIXGCG-IBGZPJMESA-N 1 0 383.565 3.568 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001121681592 934736834 /nfs/dbraw/zinc/73/68/34/934736834.db2.gz CIBHPVFIGTYZAM-SCTDSRPQSA-N 1 0 387.572 3.793 20 30 GHEDRO N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)C2)c(F)c1 ZINC000562244237 934782706 /nfs/dbraw/zinc/78/27/06/934782706.db2.gz LHEPVCMNBKJIEO-IBGZPJMESA-N 1 0 392.478 3.758 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)C1 ZINC001122079119 934816361 /nfs/dbraw/zinc/81/63/61/934816361.db2.gz OYYJFXPGKFJFTL-FPOVZHCZSA-N 1 0 394.567 3.902 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001122459857 934875370 /nfs/dbraw/zinc/87/53/70/934875370.db2.gz VVLYVDKDMBJRTD-FQEVSTJZSA-N 1 0 392.551 3.755 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001122476548 934879107 /nfs/dbraw/zinc/87/91/07/934879107.db2.gz MNPIFTNNZOFNSZ-KRWDZBQOSA-N 1 0 398.555 3.863 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+](CC)CC)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001122481875 934879998 /nfs/dbraw/zinc/87/99/98/934879998.db2.gz IFJGOPSBVBHFKL-JOCHJYFZSA-N 1 0 385.556 3.501 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nnc1[C@]1(C)CCC=CO1 ZINC001122540874 934894300 /nfs/dbraw/zinc/89/43/00/934894300.db2.gz WQOZRSXNDZXPMI-WEMPKCCASA-N 1 0 385.556 3.560 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3cccnc3c2)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001122616002 934921901 /nfs/dbraw/zinc/92/19/01/934921901.db2.gz VGCIYMYWFTUREG-CTNGQTDRSA-N 1 0 388.519 3.600 20 30 GHEDRO CC(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001122777624 934981907 /nfs/dbraw/zinc/98/19/07/934981907.db2.gz KXGAHBTYRDRUSQ-UHFFFAOYSA-N 1 0 382.512 3.520 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1CC1CC1 ZINC001123503764 935212521 /nfs/dbraw/zinc/21/25/21/935212521.db2.gz KRRROQVESBZCQZ-POAQFYNOSA-N 1 0 382.556 3.548 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)CC1 ZINC000828478272 935640252 /nfs/dbraw/zinc/64/02/52/935640252.db2.gz QGYKAOKEETZEAT-UHFFFAOYSA-N 1 0 386.499 3.551 20 30 GHEDRO N#Cc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)c(Br)c1 ZINC001137638080 935653745 /nfs/dbraw/zinc/65/37/45/935653745.db2.gz OTOPOVVFZFNFKK-UHFFFAOYSA-N 1 0 384.321 3.681 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1C#N ZINC001137706160 935735536 /nfs/dbraw/zinc/73/55/36/935735536.db2.gz QAVRAYSYIHXCNU-FCHUYYIVSA-N 1 0 378.472 3.878 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C1 ZINC001137754172 935772050 /nfs/dbraw/zinc/77/20/50/935772050.db2.gz QHNBULZTBREFBH-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO COC(=O)N1CCC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CC1 ZINC001137900049 935854813 /nfs/dbraw/zinc/85/48/13/935854813.db2.gz OZUHGDAUXFYPOO-UHFFFAOYSA-N 1 0 378.476 3.600 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000830174972 935909372 /nfs/dbraw/zinc/90/93/72/935909372.db2.gz RQWYPGXJMNRWEG-SFHVURJKSA-N 1 0 381.451 3.621 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1-c1nn[nH]n1 ZINC001573330030 947431418 /nfs/dbraw/zinc/43/14/18/947431418.db2.gz SISALCMNHUNXFE-LRDDRELGSA-N 1 0 376.302 3.854 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC001626144779 1015037651 /nfs/dbraw/zinc/03/76/51/1015037651.db2.gz KQBUOHUYJPOZHM-UHFFFAOYSA-N 1 0 384.476 3.761 20 30 GHEDRO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544849155 1015098759 /nfs/dbraw/zinc/09/87/59/1015098759.db2.gz NODCXDCZHYOHBL-JOCHJYFZSA-N 1 0 393.556 3.914 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC1 ZINC001226795806 1032132826 /nfs/dbraw/zinc/13/28/26/1032132826.db2.gz BGIDCXXBECBPFB-UHFFFAOYSA-N 1 0 381.442 3.814 20 30 GHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000468890425 1016174317 /nfs/dbraw/zinc/17/43/17/1016174317.db2.gz IOLMODNHGRMYCT-ZJNRKIDTSA-N 1 0 396.329 3.551 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](Cc3ccccc3)Cc3cccnc3)CC2)nc1 ZINC000924920192 1017024112 /nfs/dbraw/zinc/02/41/12/1017024112.db2.gz DOCDQNOHKHYOEJ-XMMPIXPASA-N 1 0 397.526 3.761 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000557848910 1017057315 /nfs/dbraw/zinc/05/73/15/1017057315.db2.gz MEBNQDMYWCYSOE-JOCHJYFZSA-N 1 0 378.520 3.692 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(SC(C)C)nc2sccn12 ZINC001277175819 1032244021 /nfs/dbraw/zinc/24/40/21/1032244021.db2.gz MEUOIHWVBSBWRW-HUUCEWRRSA-N 1 0 390.578 3.648 20 30 GHEDRO C#CCN(C(=O)NCC(C)(C)c1ccc(OCC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001227142469 1032289582 /nfs/dbraw/zinc/28/95/82/1032289582.db2.gz DTMRHWNNQJOIBW-UHFFFAOYSA-N 1 0 399.579 3.738 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1-n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001154846858 1032307279 /nfs/dbraw/zinc/30/72/79/1032307279.db2.gz OIXKOITWFBQKFZ-UHFFFAOYSA-N 1 0 377.757 3.610 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N[C@@H]3CCC[C@@H]([NH3+])C3)c(Cl)nn2)cc1 ZINC001154988420 1032370063 /nfs/dbraw/zinc/37/00/63/1032370063.db2.gz CWBFHIYMHCDERZ-ZIAGYGMSSA-N 1 0 377.826 3.577 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC001221359957 1032385118 /nfs/dbraw/zinc/38/51/18/1032385118.db2.gz BXZQGQFMKACFKD-MZKRTTBSSA-N 1 0 389.499 3.941 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@@H](c1ccc(C)cc1)N1CCC([NH3+])CC1)c1ccccc1 ZINC001221361739 1032386167 /nfs/dbraw/zinc/38/61/67/1032386167.db2.gz XWDQBXZGSMSFDA-DHIUTWEWSA-N 1 0 377.532 3.893 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001221800292 1032540146 /nfs/dbraw/zinc/54/01/46/1032540146.db2.gz OYWYJMVNPYNHPB-NRFANRHFSA-N 1 0 392.547 3.748 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001155453990 1032549188 /nfs/dbraw/zinc/54/91/88/1032549188.db2.gz NCAPYGKDZNVIQA-INIZCTEOSA-N 1 0 375.451 3.782 20 30 GHEDRO COc1cccc(N(C2CC[NH2+]CC2)C(F)(F)c2cnc(Cl)c(C#N)c2)c1 ZINC001155605794 1032597506 /nfs/dbraw/zinc/59/75/06/1032597506.db2.gz ISXOMZDAIACMFR-UHFFFAOYSA-N 1 0 392.837 3.923 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccc(F)cc4F)C3)C2)c1 ZINC001204210058 1032661886 /nfs/dbraw/zinc/66/18/86/1032661886.db2.gz HHVJDKILOHNEFG-HSZRJFAPSA-N 1 0 397.469 3.955 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926025251 1017203040 /nfs/dbraw/zinc/20/30/40/1017203040.db2.gz OOVFPSOXCILMIX-AGIUHOORSA-N 1 0 386.443 3.824 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCC1(O)CCC1 ZINC000926603342 1017291032 /nfs/dbraw/zinc/29/10/32/1017291032.db2.gz DACOBOWAVQHDDE-QGZVFWFLSA-N 1 0 379.545 3.591 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000559022452 1017338252 /nfs/dbraw/zinc/33/82/52/1017338252.db2.gz KTVBDXNWZYZJQP-UHFFFAOYSA-N 1 0 390.535 3.601 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c(C#N)c1C ZINC000559333859 1017428100 /nfs/dbraw/zinc/42/81/00/1017428100.db2.gz FGOLXMHFMZYTCI-OAHLLOKOSA-N 1 0 399.466 3.616 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2CSc2nc(C)cs2)CC1 ZINC000928659596 1017542951 /nfs/dbraw/zinc/54/29/51/1017542951.db2.gz STLBFZYQUXPKFQ-UHFFFAOYSA-N 1 0 385.558 3.571 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001227944203 1032708111 /nfs/dbraw/zinc/70/81/11/1032708111.db2.gz QVXKCWNBLYQOPI-QGZVFWFLSA-N 1 0 384.549 3.742 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC000562261576 1018085681 /nfs/dbraw/zinc/08/56/81/1018085681.db2.gz OHTVKMISYKLLJC-UHFFFAOYSA-N 1 0 392.551 3.736 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCOC)[C@@H]2CC)cc1 ZINC001204301108 1032743072 /nfs/dbraw/zinc/74/30/72/1032743072.db2.gz OBXLNLNSFZXOFU-GMAHTHKFSA-N 1 0 386.536 3.633 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ncccn1)C1CC1 ZINC000932358336 1018220869 /nfs/dbraw/zinc/22/08/69/1018220869.db2.gz WXJKGPNYCTYHDR-IFXJQAMLSA-N 1 0 381.505 3.550 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CC1 ZINC001155873244 1032755481 /nfs/dbraw/zinc/75/54/81/1032755481.db2.gz MKLTZLHJBOHHHN-UHFFFAOYSA-N 1 0 376.378 3.793 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H](c1ccccc1)N1CCOCC1 ZINC000562875154 1018738564 /nfs/dbraw/zinc/73/85/64/1018738564.db2.gz XQBOMNPVUBCZNB-NWVWQQAFSA-N 1 0 375.516 3.987 20 30 GHEDRO C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000932918695 1018752408 /nfs/dbraw/zinc/75/24/08/1018752408.db2.gz KMXPRBYJZRLOPL-CRAIPNDOSA-N 1 0 382.957 3.870 20 30 GHEDRO FC1(F)C[C@@H]1OCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943936 1018773842 /nfs/dbraw/zinc/77/38/42/1018773842.db2.gz LJZPZQYLXJCTID-PRJMDXOYSA-N 1 0 389.233 3.513 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000778178258 1018881755 /nfs/dbraw/zinc/88/17/55/1018881755.db2.gz KVGKXFVJZKNLHS-FQEVSTJZSA-N 1 0 398.934 3.599 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc(C4CCCCC4)s3)C2=O)cc1 ZINC000564394713 1019067730 /nfs/dbraw/zinc/06/77/30/1019067730.db2.gz KCKACJQQALYFQP-FQEVSTJZSA-N 1 0 394.544 3.953 20 30 GHEDRO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](Cc2ccccc2C#N)C1 ZINC001204367466 1032808277 /nfs/dbraw/zinc/80/82/77/1032808277.db2.gz KJZCNZCRRWYIBR-VWLOTQADSA-N 1 0 396.494 3.998 20 30 GHEDRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204368615 1032811834 /nfs/dbraw/zinc/81/18/34/1032811834.db2.gz ZMFWSFWAEHAGOD-UHFFFAOYSA-N 1 0 397.526 3.858 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3ccc(C#N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000571816192 1019712989 /nfs/dbraw/zinc/71/29/89/1019712989.db2.gz KHQLWTDWASGWMN-UHFFFAOYSA-N 1 0 380.448 3.799 20 30 GHEDRO Cn1cc([C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc2)cn1 ZINC000575258427 1019931730 /nfs/dbraw/zinc/93/17/30/1019931730.db2.gz CGVBGQPFGYCTRB-LZBANZJXSA-N 1 0 387.487 3.756 20 30 GHEDRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576668784 1020051430 /nfs/dbraw/zinc/05/14/30/1020051430.db2.gz OVPDKLGDACFTKP-XLIONFOSSA-N 1 0 397.544 3.820 20 30 GHEDRO C=CCN(CCc1ccco1)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000778996300 1020157659 /nfs/dbraw/zinc/15/76/59/1020157659.db2.gz LPTCEKVPPNCRGU-RTBURBONSA-N 1 0 397.519 3.562 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CCOCC1 ZINC000600719709 1020224495 /nfs/dbraw/zinc/22/44/95/1020224495.db2.gz VUWYJQHQSLCZBI-HNNXBMFYSA-N 1 0 397.500 3.717 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000579344295 1020408125 /nfs/dbraw/zinc/40/81/25/1020408125.db2.gz XWKMJHFJJZZLGM-UKILVPOCSA-N 1 0 394.559 3.702 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(C(F)(F)F)cc2C)cc1OC ZINC000191732562 1020804358 /nfs/dbraw/zinc/80/43/58/1020804358.db2.gz VXKFTWDWLHAETD-UHFFFAOYSA-N 1 0 381.398 3.636 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccc5ccccc5n4)C3)CC2=O)c1 ZINC001204504475 1032937062 /nfs/dbraw/zinc/93/70/62/1032937062.db2.gz PRKNFCLUGDZFKZ-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO CC[NH+]=C(NCCc1nnc2ccccn21)N[C@H](C)c1cccc2ccccc21 ZINC000304139578 1021150395 /nfs/dbraw/zinc/15/03/95/1021150395.db2.gz ZNGUNFVKCRYWJM-QGZVFWFLSA-N 1 0 386.503 3.741 20 30 GHEDRO COc1cc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)ccc1C#N ZINC000834755410 1021441756 /nfs/dbraw/zinc/44/17/56/1021441756.db2.gz RKEWNAAMVYOQOL-UHFFFAOYSA-N 1 0 392.503 3.597 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)N2Cc3ccc(C#N)cc3C2)c1 ZINC000903461742 1021605925 /nfs/dbraw/zinc/60/59/25/1021605925.db2.gz ZWVFHQRCIWQLPC-UHFFFAOYSA-N 1 0 378.476 3.827 20 30 GHEDRO c1cnn(-c2ccc(N=NC3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)nn2)c1 ZINC000834940184 1021708806 /nfs/dbraw/zinc/70/88/06/1021708806.db2.gz GYZPZUCJJPYISV-ICSRJNTNSA-N 1 0 387.491 3.505 20 30 GHEDRO CC[NH+]1C[C@@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@H]2C1 ZINC001140441230 1021716401 /nfs/dbraw/zinc/71/64/01/1021716401.db2.gz HXRJSATURWUQRE-QZTJIDSGSA-N 1 0 394.519 3.680 20 30 GHEDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000835029339 1021787555 /nfs/dbraw/zinc/78/75/55/1021787555.db2.gz WRSMUXIKOLGIAL-GQCTYLIASA-N 1 0 388.515 3.988 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(C(=O)OC)s3)CC2)C1 ZINC001140518066 1021909218 /nfs/dbraw/zinc/90/92/18/1021909218.db2.gz VFIILUIIQUFRJX-UHFFFAOYSA-N 1 0 392.521 3.535 20 30 GHEDRO C#C[C@H](NC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000827228506 1021974269 /nfs/dbraw/zinc/97/42/69/1021974269.db2.gz SZJLFGGQZLPYNQ-GGAORHGYSA-N 1 0 375.516 3.915 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)C2 ZINC001140628641 1022108006 /nfs/dbraw/zinc/10/80/06/1022108006.db2.gz ZFCRFNJBSVZMBA-ICSRJNTNSA-N 1 0 383.435 3.567 20 30 GHEDRO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001140677179 1022245751 /nfs/dbraw/zinc/24/57/51/1022245751.db2.gz DHBLZGIGFQEPEN-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1c(F)cc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)cc1F ZINC001140752447 1022434827 /nfs/dbraw/zinc/43/48/27/1022434827.db2.gz SPTJVVQZOAUQOW-UHFFFAOYSA-N 1 0 383.446 3.509 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000754048527 1022442794 /nfs/dbraw/zinc/44/27/94/1022442794.db2.gz UKIDKQMLFKGKCS-UHFFFAOYSA-N 1 0 395.330 3.950 20 30 GHEDRO COCCOc1ccc(N2CCN(Cc3cccc(C#N)c3Cl)CC2)cc1 ZINC001140813061 1022608094 /nfs/dbraw/zinc/60/80/94/1022608094.db2.gz UYIXUUOMZZOPQU-UHFFFAOYSA-N 1 0 385.895 3.559 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)c(C(F)(F)F)c(F)c3)C2)C1=O ZINC001140879141 1022778671 /nfs/dbraw/zinc/77/86/71/1022778671.db2.gz RIHTXQDOOUBEJJ-GOSISDBHSA-N 1 0 388.380 3.984 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000754695320 1022837515 /nfs/dbraw/zinc/83/75/15/1022837515.db2.gz XOJJJXQRIYFTSM-KCLUMXDGSA-N 1 0 381.520 3.568 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(O)c(OC)c1 ZINC000754740012 1022872142 /nfs/dbraw/zinc/87/21/42/1022872142.db2.gz FMILIFFNBCFZHB-QAPCUYQASA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(-c3ncccn3)c1)CC2 ZINC001140978498 1023067905 /nfs/dbraw/zinc/06/79/05/1023067905.db2.gz WXXYCDHMMVWPTK-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001140979013 1023070980 /nfs/dbraw/zinc/07/09/80/1023070980.db2.gz VZMQFSHPPGBIEL-JTHBVZDNSA-N 1 0 379.504 3.717 20 30 GHEDRO C#Cc1ccc(CNC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000836541756 1023094512 /nfs/dbraw/zinc/09/45/12/1023094512.db2.gz JHYFQRDDYMCSMG-QHCPKHFHSA-N 1 0 375.516 3.722 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc4cccc(O)c4n3)C2)CC1 ZINC001141018956 1023221344 /nfs/dbraw/zinc/22/13/44/1023221344.db2.gz RJHKZRJKRVXCBH-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)CC1 ZINC000755578790 1023300109 /nfs/dbraw/zinc/30/01/09/1023300109.db2.gz XONQYRQBUVTXGS-DEOSSOPVSA-N 1 0 394.559 3.874 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)CC1 ZINC000836755587 1023340926 /nfs/dbraw/zinc/34/09/26/1023340926.db2.gz MGYMGKVBTMBMEX-UHFFFAOYSA-N 1 0 388.512 3.953 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000755982407 1023464778 /nfs/dbraw/zinc/46/47/78/1023464778.db2.gz HJGIOGSUXHFQTF-PKTZIBPZSA-N 1 0 391.515 3.543 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3C#N)CC2)c2ccccc21 ZINC001141164627 1023992744 /nfs/dbraw/zinc/99/27/44/1023992744.db2.gz CXNLPMNMWYTQIF-GOSISDBHSA-N 1 0 391.490 3.855 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1C ZINC000830952656 1024270865 /nfs/dbraw/zinc/27/08/65/1024270865.db2.gz BIYZHUQRBCZVBO-BDTNDASRSA-N 1 0 383.536 3.566 20 30 GHEDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@@H]21 ZINC001141298162 1024443645 /nfs/dbraw/zinc/44/36/45/1024443645.db2.gz LWBIHWRUXZQGNF-KNQAVFIVSA-N 1 0 375.472 3.793 20 30 GHEDRO COC(=O)c1ccc2c(C[N@@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)c[nH]c2c1 ZINC001138269036 1024510847 /nfs/dbraw/zinc/51/08/47/1024510847.db2.gz RVXBMODPWHSAPY-HXUWFJFHSA-N 1 0 389.455 3.870 20 30 GHEDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000837515865 1024521373 /nfs/dbraw/zinc/52/13/73/1024521373.db2.gz XIUINUOVDLQDLV-HXUWFJFHSA-N 1 0 385.508 3.520 20 30 GHEDRO C(#Cc1ccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)cc1)c1ccccc1 ZINC001138335336 1024696444 /nfs/dbraw/zinc/69/64/44/1024696444.db2.gz NGGBLTVKABRGJY-RUZDIDTESA-N 1 0 380.495 3.731 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001138341684 1024702116 /nfs/dbraw/zinc/70/21/16/1024702116.db2.gz TYEJEANZHOMDNO-SFHVURJKSA-N 1 0 388.508 3.586 20 30 GHEDRO C#CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2CC)cc1OC ZINC001138345645 1024707207 /nfs/dbraw/zinc/70/72/07/1024707207.db2.gz LCYLPIRSWIQXEV-GOSISDBHSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C(=O)OC)c2)cc1OC ZINC001138348364 1024710852 /nfs/dbraw/zinc/71/08/52/1024710852.db2.gz SHRSRKAXRZKYFQ-HXUWFJFHSA-N 1 0 379.456 3.831 20 30 GHEDRO C#CCOc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001138348778 1024711497 /nfs/dbraw/zinc/71/14/97/1024711497.db2.gz MXIWKZNOBOGXEI-QFIPXVFZSA-N 1 0 378.516 3.661 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cc1OC ZINC001138348771 1024711777 /nfs/dbraw/zinc/71/17/77/1024711777.db2.gz MUJUIOLQVXAAGC-HDICACEKSA-N 1 0 385.467 3.737 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1 ZINC001138559481 1025021509 /nfs/dbraw/zinc/02/15/09/1025021509.db2.gz MLIVADFRBUMNGZ-ISKFKSNPSA-N 1 0 392.499 3.544 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OC(C)C)c(OC)c3)C2)CC1 ZINC001138571028 1025043057 /nfs/dbraw/zinc/04/30/57/1025043057.db2.gz BLCMUUDWALHTIN-UHFFFAOYSA-N 1 0 388.508 3.703 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](CCCSCC#N)CC1 ZINC000831987545 1025090559 /nfs/dbraw/zinc/09/05/59/1025090559.db2.gz XKOKLQWLQDYXHP-QGZVFWFLSA-N 1 0 381.586 3.991 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1O ZINC001138627502 1025127416 /nfs/dbraw/zinc/12/74/16/1025127416.db2.gz KHCGXXKHNCTOIU-YPAWHYETSA-N 1 0 380.488 3.717 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1O ZINC001138627207 1025127570 /nfs/dbraw/zinc/12/75/70/1025127570.db2.gz ZJVBGDUNNSSARV-XUZZJYLKSA-N 1 0 394.515 3.966 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c1O ZINC001138629325 1025130131 /nfs/dbraw/zinc/13/01/31/1025130131.db2.gz UUXRUXSXKZEOHH-UHFFFAOYSA-N 1 0 376.460 3.945 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(Nc4cccc(C#CC(C)(C)O)c4)cc3)CC2)CC1 ZINC001205119829 1033262902 /nfs/dbraw/zinc/26/29/02/1033262902.db2.gz FYHXAHWQWDUFSV-UHFFFAOYSA-N 1 0 389.543 3.789 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000838485404 1025165423 /nfs/dbraw/zinc/16/54/23/1025165423.db2.gz AGNQPSMWDFEZDO-SFHVURJKSA-N 1 0 382.533 3.911 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001138664300 1025185590 /nfs/dbraw/zinc/18/55/90/1025185590.db2.gz MLYFWMLOGSARDR-QHCPKHFHSA-N 1 0 377.488 3.666 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c2nc(C(F)(F)F)ccc12 ZINC001156843688 1033271249 /nfs/dbraw/zinc/27/12/49/1033271249.db2.gz DTGPDWUANWJJGO-ZDUSSCGKSA-N 1 0 393.409 3.642 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cnc(N(CC)CC)s1)C2 ZINC001138800358 1025386867 /nfs/dbraw/zinc/38/68/67/1025386867.db2.gz CWDFBMABRLGEBM-FQEVSTJZSA-N 1 0 376.570 3.522 20 30 GHEDRO COc1cccc(C2(Nc3nc(Cl)cc(Cl)c3C#N)CC[NH2+]CC2)c1 ZINC001161997280 1025530466 /nfs/dbraw/zinc/53/04/66/1025530466.db2.gz HAZZXYANIGQCNO-UHFFFAOYSA-N 1 0 377.275 3.959 20 30 GHEDRO C[C@@H]1C[C@H](OC(=O)Cc2ccc(OCC#N)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000839092155 1025590344 /nfs/dbraw/zinc/59/03/44/1025590344.db2.gz KYAHACILVQZBKH-GCJKJVERSA-N 1 0 378.472 3.585 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)C1 ZINC000839188765 1025708075 /nfs/dbraw/zinc/70/80/75/1025708075.db2.gz LYZSYQFNRKAYST-UYAOXDASSA-N 1 0 384.524 3.955 20 30 GHEDRO CCCOc1ccccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001138999677 1025746564 /nfs/dbraw/zinc/74/65/64/1025746564.db2.gz YSUTUIVINDGSNT-DEOSSOPVSA-N 1 0 389.499 3.976 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001139028179 1025794360 /nfs/dbraw/zinc/79/43/60/1025794360.db2.gz OQNNYAYYCHLUMV-LJQANCHMSA-N 1 0 398.478 3.988 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)c1ncc(C)n1CCN2CC ZINC001139027828 1025794710 /nfs/dbraw/zinc/79/47/10/1025794710.db2.gz DGGCPKBDXMJKSC-UHFFFAOYSA-N 1 0 380.536 3.583 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3Cc4ccccc4C[C@H]3C[NH3+])nc2)cc1 ZINC001162745132 1025902352 /nfs/dbraw/zinc/90/23/52/1025902352.db2.gz VMKGOPUGDBAPEZ-QFIPXVFZSA-N 1 0 384.483 3.617 20 30 GHEDRO CCOC(=O)COc1ccccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001139136586 1025950139 /nfs/dbraw/zinc/95/01/39/1025950139.db2.gz HAEKERIPEPTSFH-UHFFFAOYSA-N 1 0 377.484 3.892 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001162943487 1025979818 /nfs/dbraw/zinc/97/98/18/1025979818.db2.gz NZJSGOCIVJUWRX-UHFFFAOYSA-N 1 0 380.448 3.596 20 30 GHEDRO N#Cc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2sccc21 ZINC001163047682 1026025461 /nfs/dbraw/zinc/02/54/61/1026025461.db2.gz NDQDYCMFKMWZLI-GOSISDBHSA-N 1 0 378.501 3.871 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163056203 1026028004 /nfs/dbraw/zinc/02/80/04/1026028004.db2.gz OGGRXKFMKICBKN-INIZCTEOSA-N 1 0 387.003 3.987 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[NH+]2CCC(CC#N)CC2)cc1 ZINC000839548403 1026043061 /nfs/dbraw/zinc/04/30/61/1026043061.db2.gz AWZVOQVQZWCILT-IBGZPJMESA-N 1 0 387.524 3.929 20 30 GHEDRO C#C[C@H](C)Nc1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001163160827 1026072118 /nfs/dbraw/zinc/07/21/18/1026072118.db2.gz FHLDRSKDMXBNKD-HNNXBMFYSA-N 1 0 395.890 3.830 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1nc2c(cc1C#N)CCC2)c1ccc(Cl)cc1 ZINC001163384291 1026169454 /nfs/dbraw/zinc/16/94/54/1026169454.db2.gz BTBHAENFABKIFT-FQEVSTJZSA-N 1 0 384.911 3.827 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N3CCCCC3)nc1)[C@@H]2CC ZINC001139340172 1026202217 /nfs/dbraw/zinc/20/22/17/1026202217.db2.gz GRVFTCMWKTZQKE-QPPBQGQZSA-N 1 0 396.579 3.994 20 30 GHEDRO Cc1ccc2nc(N[C@@H](CCCC[NH3+])C(=O)N3CCCC3)c(C#N)c(Cl)c2c1 ZINC001163461888 1026202715 /nfs/dbraw/zinc/20/27/15/1026202715.db2.gz KIASBGLZZZDPHL-SFHVURJKSA-N 1 0 399.926 3.600 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cc2)CC1 ZINC000839719548 1026226612 /nfs/dbraw/zinc/22/66/12/1026226612.db2.gz RZQFLHWPUUZRQD-XZOQPEGZSA-N 1 0 388.515 3.831 20 30 GHEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)cc1 ZINC001163643036 1026263919 /nfs/dbraw/zinc/26/39/19/1026263919.db2.gz GVGCWFULLJUHQF-NOXFTYBFSA-N 1 0 377.488 3.929 20 30 GHEDRO N=C(Nc1cc(Br)cc2c1NC(=O)C2)c1ccc(C(F)(F)F)cc1 ZINC001163685512 1026282911 /nfs/dbraw/zinc/28/29/11/1026282911.db2.gz OSQVHBMDENVBLE-UHFFFAOYSA-N 1 0 398.182 4.000 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)cn2)cc1 ZINC001139426695 1026297993 /nfs/dbraw/zinc/29/79/93/1026297993.db2.gz JDBBBHIKHAKBPR-RTWAWAEBSA-N 1 0 396.450 3.913 20 30 GHEDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)CC2 ZINC001139426713 1026298424 /nfs/dbraw/zinc/29/84/24/1026298424.db2.gz JXVMRZLRVXQFCD-UHFFFAOYSA-N 1 0 390.487 3.580 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)cc1F ZINC001139527482 1026384839 /nfs/dbraw/zinc/38/48/39/1026384839.db2.gz CXDTVZXCPSQJNB-UHFFFAOYSA-N 1 0 389.474 3.988 20 30 GHEDRO CSc1nc(Cl)cc(N2CCCN(Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC001139529882 1026387760 /nfs/dbraw/zinc/38/77/60/1026387760.db2.gz GGWPTMXCBRMXDE-UHFFFAOYSA-N 1 0 391.903 3.575 20 30 GHEDRO N#CCC(=O)Nc1ccc(C(=O)OCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000840016570 1026408662 /nfs/dbraw/zinc/40/86/62/1026408662.db2.gz VWHPJHBZCZNVNX-UHFFFAOYSA-N 1 0 391.471 3.882 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3ccc(CC#N)c(C)c3)CC2)cc1 ZINC001164334058 1026489406 /nfs/dbraw/zinc/48/94/06/1026489406.db2.gz KGGHNVKXLMGIKU-UHFFFAOYSA-N 1 0 378.520 3.694 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3cc(F)cc(CC#N)c3)CC2)cc1 ZINC001164336177 1026489585 /nfs/dbraw/zinc/48/95/85/1026489585.db2.gz UJJWOUCUNSPQCL-UHFFFAOYSA-N 1 0 382.483 3.525 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(Cc4cc(C#N)ccc4F)CC3)C2)cc1 ZINC001139648912 1026510910 /nfs/dbraw/zinc/51/09/10/1026510910.db2.gz GZDFGLSANVWYQB-UHFFFAOYSA-N 1 0 393.506 3.873 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCN4Cc4nccs4)C3)c[nH]c21 ZINC001139704995 1026549443 /nfs/dbraw/zinc/54/94/43/1026549443.db2.gz IMJKBSBXFBGSDQ-VQIMIIECSA-N 1 0 377.517 3.592 20 30 GHEDRO Cc1ccc(C[N@H+]2C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C2)cc1C#N ZINC001139724871 1026567448 /nfs/dbraw/zinc/56/74/48/1026567448.db2.gz SWZJJKLAVVFGAO-MOPGFXCFSA-N 1 0 387.499 3.942 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cc1C#N ZINC001139724201 1026567633 /nfs/dbraw/zinc/56/76/33/1026567633.db2.gz NLSCGIZSMYCRFW-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1C#N ZINC001139724954 1026568468 /nfs/dbraw/zinc/56/84/68/1026568468.db2.gz XMWBKQVIKIYEDW-UHFFFAOYSA-N 1 0 381.545 3.795 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1C#N ZINC001139727504 1026569960 /nfs/dbraw/zinc/56/99/60/1026569960.db2.gz SLVNTBWEFVOZPV-MRXNPFEDSA-N 1 0 376.382 3.719 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCCN(Cc3cc(Cl)cnc3OC)C2)CC1 ZINC001139744357 1026582313 /nfs/dbraw/zinc/58/23/13/1026582313.db2.gz GYVCEHMEECYTMX-UHFFFAOYSA-N 1 0 393.915 3.744 20 30 GHEDRO N#Cc1cc(C(F)(F)N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)cc(Cl)n1 ZINC001165090342 1026600152 /nfs/dbraw/zinc/60/01/52/1026600152.db2.gz YDNJZFIMEHKLQS-YJBOKZPZSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2cccnc2)C2CCC([NH3+])CC2)cc(Cl)n1 ZINC001165197436 1026659636 /nfs/dbraw/zinc/65/96/36/1026659636.db2.gz OUKPAQNRWHAUNO-UHFFFAOYSA-N 1 0 391.853 3.823 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165271823 1026688784 /nfs/dbraw/zinc/68/87/84/1026688784.db2.gz WWVOMXARCRGIJY-GOSISDBHSA-N 1 0 387.409 3.526 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC001139877510 1026693275 /nfs/dbraw/zinc/69/32/75/1026693275.db2.gz MHJAHSBFDHRZKK-IRLDBZIGSA-N 1 0 381.451 3.542 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc4cnn(C)c4c3)CC2)C1 ZINC001139903843 1026717314 /nfs/dbraw/zinc/71/73/14/1026717314.db2.gz DVZIPHZBBXFDTG-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO CC(C)N(c1cc(C#N)c2cc(Cl)ccc2n1)c1ncnc2c1CC[NH2+]CC2 ZINC001165514566 1026751785 /nfs/dbraw/zinc/75/17/85/1026751785.db2.gz UVGBJVSHPCXVRH-UHFFFAOYSA-N 1 0 392.894 3.785 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N(c2ncnc3c2CC[NH2+]CC3)C(C)C)c1C#N ZINC001165513312 1026751952 /nfs/dbraw/zinc/75/19/52/1026751952.db2.gz WHLUTWBVWVJQBU-UHFFFAOYSA-N 1 0 391.306 3.593 20 30 GHEDRO C#C[C@H]1CCC[N@@H+](Cc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001140075124 1026855301 /nfs/dbraw/zinc/85/53/01/1026855301.db2.gz HIDVOKGWOVBEPL-IBGZPJMESA-N 1 0 383.536 3.589 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC(NC(=O)c4cccc(F)c4)CC3)c2c1 ZINC001140116575 1026898264 /nfs/dbraw/zinc/89/82/64/1026898264.db2.gz BDXYOWKZSHTGJP-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c(F)c1 ZINC001140137386 1026911119 /nfs/dbraw/zinc/91/11/19/1026911119.db2.gz GLGGQZNREPCBDW-UHFFFAOYSA-N 1 0 377.463 3.855 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001140137642 1026911342 /nfs/dbraw/zinc/91/13/42/1026911342.db2.gz QPRWVWDDNABGFU-JMUQELJHSA-N 1 0 378.495 3.825 20 30 GHEDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140137601 1026911627 /nfs/dbraw/zinc/91/16/27/1026911627.db2.gz OLYBILFUINOAIP-HXUWFJFHSA-N 1 0 377.463 3.678 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)cc1O ZINC001140200207 1026973721 /nfs/dbraw/zinc/97/37/21/1026973721.db2.gz SFVCADQKYVCHKX-HSZRJFAPSA-N 1 0 375.472 3.510 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)CC1 ZINC001209878955 1027257155 /nfs/dbraw/zinc/25/71/55/1027257155.db2.gz MFRYHEJLNJBPOK-UHFFFAOYSA-N 1 0 386.374 3.694 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(Br)ccc1O)CC2 ZINC001203641941 1027499619 /nfs/dbraw/zinc/49/96/19/1027499619.db2.gz BXRDQHCKGSWZBT-LJQANCHMSA-N 1 0 393.325 3.688 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccc(Cl)c4)C3)C2)n1 ZINC001203798881 1027611635 /nfs/dbraw/zinc/61/16/35/1027611635.db2.gz LTRMYDAUOYASSV-QFIPXVFZSA-N 1 0 396.922 3.726 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc(OC)c1OC ZINC001203846902 1027652218 /nfs/dbraw/zinc/65/22/18/1027652218.db2.gz PLGRZFYDXARVBS-SFHVURJKSA-N 1 0 382.460 3.627 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141943592 1027720757 /nfs/dbraw/zinc/72/07/57/1027720757.db2.gz BAOQJWLKUSIUKY-VQTJNVASSA-N 1 0 395.528 3.986 20 30 GHEDRO COC(=O)c1cccc(C2CC[NH+](Cc3ccc(C#N)c(SC)n3)CC2)c1 ZINC001141944096 1027722997 /nfs/dbraw/zinc/72/29/97/1027722997.db2.gz XOUQNYFWDDYNJN-UHFFFAOYSA-N 1 0 381.501 3.841 20 30 GHEDRO C(#Cc1ccccc1)c1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)s1 ZINC001141975649 1027787854 /nfs/dbraw/zinc/78/78/54/1027787854.db2.gz FGKQPUHDOYZTAL-PMACEKPBSA-N 1 0 386.524 3.506 20 30 GHEDRO CSc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)s1 ZINC001142025808 1027912343 /nfs/dbraw/zinc/91/23/43/1027912343.db2.gz MNMWBXQMRPFVOE-HXUWFJFHSA-N 1 0 383.542 3.971 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001142071593 1028029253 /nfs/dbraw/zinc/02/92/53/1028029253.db2.gz MRKFQTPVSMHGMZ-OAQYLSRUSA-N 1 0 377.488 3.770 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)C[C@@H]2CCOC2)cc1OC ZINC001461335472 1069505711 /nfs/dbraw/zinc/50/57/11/1069505711.db2.gz ZMHZAQYZXGQZMS-KGLIPLIRSA-N 1 0 384.314 3.927 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000841085399 1028108822 /nfs/dbraw/zinc/10/88/22/1028108822.db2.gz BDFCCDFCLYXSCG-PXAZEXFGSA-N 1 0 390.365 3.731 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1C#N ZINC000841157169 1028226373 /nfs/dbraw/zinc/22/63/73/1028226373.db2.gz XQHHTKYWRIBMBF-BEFAXECRSA-N 1 0 399.495 3.513 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccccc3-c3ccccc3)CC2)C1=O ZINC001142339319 1028720697 /nfs/dbraw/zinc/72/06/97/1028720697.db2.gz OUJWOMNXHFRJMR-UHFFFAOYSA-N 1 0 389.543 3.648 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)Nc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC001214487127 1028757055 /nfs/dbraw/zinc/75/70/55/1028757055.db2.gz FWVXVWKHNLAENK-HDICACEKSA-N 1 0 392.503 3.831 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1C)C(=S)NC[C@H]1CCCCO1 ZINC000179392727 1028762582 /nfs/dbraw/zinc/76/25/82/1028762582.db2.gz YSMVDWDJTLABMJ-LJQANCHMSA-O 1 0 397.564 3.942 20 30 GHEDRO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000841762994 1028921022 /nfs/dbraw/zinc/92/10/22/1028921022.db2.gz SSFIYBGHUMACTQ-AZUAARDMSA-N 1 0 387.524 3.845 20 30 GHEDRO C#C[C@@](C)(CC)NC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001214895711 1028956776 /nfs/dbraw/zinc/95/67/76/1028956776.db2.gz QCSFQKWEUIACLV-FQEVSTJZSA-N 1 0 376.932 3.795 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1C#N ZINC001461535718 1069597643 /nfs/dbraw/zinc/59/76/43/1069597643.db2.gz XGKNIXQDAGYYNM-MGPUTAFESA-N 1 0 381.451 3.548 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000842885712 1029662275 /nfs/dbraw/zinc/66/22/75/1029662275.db2.gz QTQRLBSJIGZHLF-PWRODBHTSA-N 1 0 399.535 3.647 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)CC[C@H]21 ZINC001142916000 1029688477 /nfs/dbraw/zinc/68/84/77/1029688477.db2.gz LOMOOXOZCDBPIW-OXJNMPFZSA-N 1 0 380.492 3.871 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CCN(c5ncccn5)CC4)CC3)c[nH]c2c1 ZINC001142916956 1029689838 /nfs/dbraw/zinc/68/98/38/1029689838.db2.gz MGNJYAYBJQCBKZ-UHFFFAOYSA-N 1 0 386.503 3.712 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cccc(C(C)(C)C)c1O ZINC001143104879 1029842791 /nfs/dbraw/zinc/84/27/91/1029842791.db2.gz GGDBMAXGDHRBPI-LJQANCHMSA-N 1 0 384.524 3.603 20 30 GHEDRO COc1cc(C)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001143158194 1029872972 /nfs/dbraw/zinc/87/29/72/1029872972.db2.gz WQGGVNWMMJBFEX-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO COc1cc(C)cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001143163556 1029876238 /nfs/dbraw/zinc/87/62/38/1029876238.db2.gz HWDLUSWQBDLTSJ-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1c[nH]c(Br)c1)CC2 ZINC001276749163 1029986896 /nfs/dbraw/zinc/98/68/96/1029986896.db2.gz GJYZLHQKGNYSTC-UHFFFAOYSA-N 1 0 380.330 3.558 20 30 GHEDRO CCCCCCCCOc1ccc(CN2CCOC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001222186260 1029993577 /nfs/dbraw/zinc/99/35/77/1029993577.db2.gz BRUAXKMVBPUFOE-QHCPKHFHSA-N 1 0 390.568 3.617 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1OC ZINC000843501753 1030050612 /nfs/dbraw/zinc/05/06/12/1030050612.db2.gz PFBVGRFSOXUCCB-QZQRZDCMSA-N 1 0 384.520 3.510 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2cccc3c2CC[NH2+]C3)n1 ZINC001217564352 1030496543 /nfs/dbraw/zinc/49/65/43/1030496543.db2.gz DQLICKDQOPNLIL-UHFFFAOYSA-N 1 0 381.233 3.683 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC001217645495 1030570154 /nfs/dbraw/zinc/57/01/54/1030570154.db2.gz BWQDYGQMUBMSIK-MCIONIFRSA-N 1 0 393.329 3.809 20 30 GHEDRO O/N=C(/c1ccccc1)[C@H](OC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC001217840442 1030660048 /nfs/dbraw/zinc/66/00/48/1030660048.db2.gz DHEZOHCKOVGIIP-OTRDECFQSA-N 1 0 380.488 3.782 20 30 GHEDRO C=C(C)C(=O)OC[C@H](C)OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001223628840 1030671816 /nfs/dbraw/zinc/67/18/16/1030671816.db2.gz FYEGNMOGAWUAOR-IBGZPJMESA-N 1 0 375.509 3.966 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CCC[NH2+]C[C@H]3C)c(C#N)c2)nc1C ZINC001217986238 1030707174 /nfs/dbraw/zinc/70/71/74/1030707174.db2.gz FKACDESHMYVBIU-DYVFJYSZSA-N 1 0 399.516 3.934 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CC[NH2+]CC[C@H]3F)c3ccccc23)ccc1F ZINC001218016892 1030724213 /nfs/dbraw/zinc/72/42/13/1030724213.db2.gz HIKJKYGBGDJBQB-TZIWHRDSSA-N 1 0 394.425 3.700 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[NH2+]CC[C@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001218016107 1030724934 /nfs/dbraw/zinc/72/49/34/1030724934.db2.gz CASANCISZFMOQZ-KRZVHVFCSA-N 1 0 385.435 3.766 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[C@]23CC[NH2+]C3)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218117039 1030781623 /nfs/dbraw/zinc/78/16/23/1030781623.db2.gz BHWWVAXHTBENMC-OGHJLXPPSA-N 1 0 395.455 3.523 20 30 GHEDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](O/C(=N\O)c2ccccc2Br)C1 ZINC001223885721 1030788977 /nfs/dbraw/zinc/78/89/77/1030788977.db2.gz IFLHOBQVOGPZGF-DFWOMYATSA-N 1 0 390.281 3.832 20 30 GHEDRO C[NH2+][C@H]1CC[C@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001218186997 1030813667 /nfs/dbraw/zinc/81/36/67/1030813667.db2.gz DFYUQOQZFPLUAX-FSMYZUBASA-N 1 0 381.428 3.623 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218407824 1030925951 /nfs/dbraw/zinc/92/59/51/1030925951.db2.gz NOLSQUIFYHXXCE-CHBQCGQPSA-N 1 0 395.455 3.579 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC001218422655 1030932770 /nfs/dbraw/zinc/93/27/70/1030932770.db2.gz JMRGHOBZAJXFLT-OXQOHEQNSA-N 1 0 379.456 3.776 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[NH2+]C(C)(C)C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218475687 1030951791 /nfs/dbraw/zinc/95/17/91/1030951791.db2.gz RELJSOCOSFDSFZ-YOCVDRLZSA-N 1 0 397.471 3.912 20 30 GHEDRO N#Cc1cccc2[nH]nc(NC(=O)C[C@@H]([NH3+])Cc3csc4ccccc34)c21 ZINC001218657047 1031021013 /nfs/dbraw/zinc/02/10/13/1031021013.db2.gz XWYPWCBGJHZNNX-AWEZNQCLSA-N 1 0 375.457 3.548 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3csc(C(F)(F)F)c3)C2)C1=O ZINC001276997252 1031122021 /nfs/dbraw/zinc/12/20/21/1031122021.db2.gz TZLKRIQXUKDLGJ-QGZVFWFLSA-N 1 0 386.439 3.684 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224828397 1031140159 /nfs/dbraw/zinc/14/01/59/1031140159.db2.gz DFXJUYKQCRDTDF-QHAWAJNXSA-N 1 0 399.535 3.674 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)Nc2ccc3nc(C#N)sc3c2)cc1 ZINC001218910020 1031147607 /nfs/dbraw/zinc/14/76/07/1031147607.db2.gz AZQJVGJFNLFEQW-INIZCTEOSA-N 1 0 394.500 3.854 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)C[C@H]([NH3+])Cc2cccc3ccccc32)cc1C#N ZINC001218915262 1031151330 /nfs/dbraw/zinc/15/13/30/1031151330.db2.gz MEQSYVSQLQIHFV-LJQANCHMSA-N 1 0 386.455 3.568 20 30 GHEDRO C[C@]12CN(C(=O)Nc3cc(C#N)ccc3F)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001219051656 1031231408 /nfs/dbraw/zinc/23/14/08/1031231408.db2.gz LWKFTKBPPCROAZ-GCJKJVERSA-N 1 0 378.451 3.683 20 30 GHEDRO C#C[C@H](O[C@@H]1C[N@H+](Cc2ccccc2)C2(C1)CCC1(CC2)OCCO1)C(C)C ZINC001225175274 1031297999 /nfs/dbraw/zinc/29/79/99/1031297999.db2.gz RKJSDKLXPLSJJY-VXKWHMMOSA-N 1 0 383.532 3.991 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)c(C)c1C)CC2 ZINC001277025033 1031311624 /nfs/dbraw/zinc/31/16/24/1031311624.db2.gz AELFOOUUXRIENP-QGZVFWFLSA-N 1 0 391.353 3.970 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C(C)(C)C ZINC001219911343 1031689273 /nfs/dbraw/zinc/68/92/73/1031689273.db2.gz DHELVIWOUCPEBA-HOTGVXAUSA-N 1 0 384.446 3.827 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(C(C)C)c3)C2)OCC1=O ZINC001277104671 1031827086 /nfs/dbraw/zinc/82/70/86/1031827086.db2.gz SCMVFUUMQOHUQI-NRFANRHFSA-N 1 0 376.928 3.843 20 30 GHEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001220289965 1031882727 /nfs/dbraw/zinc/88/27/27/1031882727.db2.gz PMPYOCTVLAYTFK-SFHVURJKSA-N 1 0 382.508 3.543 20 30 GHEDRO C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001154059462 1031903181 /nfs/dbraw/zinc/90/31/81/1031903181.db2.gz UULBJOBSWYBQPS-QGZVFWFLSA-N 1 0 389.499 3.513 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC001220663421 1032050425 /nfs/dbraw/zinc/05/04/25/1032050425.db2.gz DTQAOVMUZXZBKP-FZKQIMNGSA-N 1 0 389.293 3.891 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001229211657 1033346243 /nfs/dbraw/zinc/34/62/43/1033346243.db2.gz HPCCNGBCSMDCTE-FIJRTHIRSA-N 1 0 395.455 3.966 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)NC(=N)SCC[NH3+])cc2c1Cl ZINC001157136420 1033431328 /nfs/dbraw/zinc/43/13/28/1033431328.db2.gz IYPHKWZXLVEBLB-UHFFFAOYSA-N 1 0 390.246 3.679 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229383336 1033450427 /nfs/dbraw/zinc/45/04/27/1033450427.db2.gz GYRKDZGBRATLKR-HNXQACMRSA-N 1 0 391.515 3.793 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)cc1 ZINC001205917125 1033634647 /nfs/dbraw/zinc/63/46/47/1033634647.db2.gz HZDJIPVUYLMUQB-NXHRZFHOSA-N 1 0 383.410 3.699 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)Nc3ccc(C#N)c(F)c3)CCCCC2)CCO1 ZINC001205986763 1033671000 /nfs/dbraw/zinc/67/10/00/1033671000.db2.gz QBKUTKBLTFZSMK-UHFFFAOYSA-N 1 0 388.487 3.633 20 30 GHEDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1nc(C#C[Si](C)(C)C)ccc1NC(=O)C(C)(C)C ZINC001157748035 1033752065 /nfs/dbraw/zinc/75/20/65/1033752065.db2.gz WMKWJJYKRIBKEV-WBVHZDCISA-N 1 0 386.616 3.611 20 30 GHEDRO Cc1ncn(-c2c(C#N)c(Cl)nc3ccc(F)c(C)c32)c1CSCC[NH3+] ZINC001157967650 1033841866 /nfs/dbraw/zinc/84/18/66/1033841866.db2.gz QLFKNJZCLAXUSS-UHFFFAOYSA-N 1 0 389.887 3.893 20 30 GHEDRO COc1ccc(CN(c2nc(Cl)cc(C)c2C#N)C2CC[NH2+]CC2)cc1F ZINC001158004648 1033862838 /nfs/dbraw/zinc/86/28/38/1033862838.db2.gz NCKWANOAAGUCPJ-UHFFFAOYSA-N 1 0 388.874 3.821 20 30 GHEDRO COc1cccc(N(c2cc(C#C[Si](C)(C)C)ccn2)C2CC[NH2+]CC2)n1 ZINC001158059888 1033895930 /nfs/dbraw/zinc/89/59/30/1033895930.db2.gz JUHUSEJYGVUSIV-UHFFFAOYSA-N 1 0 380.568 3.604 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001230199946 1033941949 /nfs/dbraw/zinc/94/19/49/1033941949.db2.gz DZJCMYYOUMEMMW-HSZRJFAPSA-N 1 0 397.482 3.996 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC001230499208 1034092606 /nfs/dbraw/zinc/09/26/06/1034092606.db2.gz SKVBZMIFLDOUQQ-INIZCTEOSA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCN(CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001207202127 1034171286 /nfs/dbraw/zinc/17/12/86/1034171286.db2.gz NLBBUBZIDAOFEF-UHFFFAOYSA-N 1 0 397.560 3.646 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3cccc(Cl)c32)C1 ZINC001230885406 1034270392 /nfs/dbraw/zinc/27/03/92/1034270392.db2.gz KBYHVQKLOWAYOI-OAHLLOKOSA-N 1 0 380.835 3.514 20 30 GHEDRO COC(=O)C[C@H](C#N)c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001230993063 1034330710 /nfs/dbraw/zinc/33/07/10/1034330710.db2.gz YNVPEJBCMLAPKE-IFMALSPDSA-N 1 0 378.472 3.900 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159008822 1034378281 /nfs/dbraw/zinc/37/82/81/1034378281.db2.gz NJUQTSGQKLBUEL-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](CCc4ccccc4F)C3)C2)c1 ZINC001207500630 1034405872 /nfs/dbraw/zinc/40/58/72/1034405872.db2.gz TYXGSVOJYMKLMJ-XMMPIXPASA-N 1 0 393.506 3.859 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CC4CCSCC4)C3)C2)c1 ZINC001207748349 1034553965 /nfs/dbraw/zinc/55/39/65/1034553965.db2.gz ZZCJSVCVLWBASH-QFIPXVFZSA-N 1 0 385.577 3.620 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cnc(Cl)c(OC)c3)CC2)C1=O ZINC001276543784 1034558669 /nfs/dbraw/zinc/55/86/69/1034558669.db2.gz XDWJOPZEILHMKT-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3F)CC2)C1=O ZINC001276543877 1034560541 /nfs/dbraw/zinc/56/05/41/1034560541.db2.gz ZKKYTDLAJMYBKT-IBGZPJMESA-N 1 0 383.294 3.970 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)[C@H]2C1 ZINC001207789117 1034576474 /nfs/dbraw/zinc/57/64/74/1034576474.db2.gz UPHNMDVDFIUHSQ-NCYKPQTJSA-N 1 0 397.519 3.514 20 30 GHEDRO CCOC(=O)C1=C(N=c2[nH]ccc(Cl)c2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001159459143 1034604141 /nfs/dbraw/zinc/60/41/41/1034604141.db2.gz ANFGVBCHEDJTOA-UHFFFAOYSA-N 1 0 396.878 3.742 20 30 GHEDRO C=CCCCCCCCCC[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001207898870 1034642977 /nfs/dbraw/zinc/64/29/77/1034642977.db2.gz GFGQYZGLMWYNPT-HXUWFJFHSA-N 1 0 380.573 3.679 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159546459 1034655948 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377.573 3.985 20 30 GHEDRO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC001231617165 1034773702 /nfs/dbraw/zinc/77/37/02/1034773702.db2.gz ZZUIZBGXPPJZIM-UHFFFAOYSA-N 1 0 377.488 3.974 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(NC(=O)OC(C)(C)C)(C(=O)OC)CC2)CC1 ZINC001208176617 1034776137 /nfs/dbraw/zinc/77/61/37/1034776137.db2.gz IMIWBYCAZIOYBI-GOSISDBHSA-N 1 0 392.540 3.821 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCCO4)C[C@H]3C2)CC1 ZINC001208177176 1034776241 /nfs/dbraw/zinc/77/62/41/1034776241.db2.gz OYMFBTXUWYYVJW-CLAROIROSA-N 1 0 388.552 3.570 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1 ZINC001231623560 1034782488 /nfs/dbraw/zinc/78/24/88/1034782488.db2.gz KACMZLZQEOVTRK-UGKGYDQZSA-N 1 0 384.451 3.598 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(CC)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001231641401 1034797812 /nfs/dbraw/zinc/79/78/12/1034797812.db2.gz VQCWYOKSBAPEJZ-VWNXMTODSA-N 1 0 375.516 3.648 20 30 GHEDRO C#Cc1cccc(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1 ZINC001231656104 1034813710 /nfs/dbraw/zinc/81/37/10/1034813710.db2.gz XTMOBONAIFXNED-QFIPXVFZSA-N 1 0 375.516 3.800 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001208224487 1034813737 /nfs/dbraw/zinc/81/37/37/1034813737.db2.gz ZLRQECBMXOKASR-XMMPIXPASA-N 1 0 382.548 3.768 20 30 GHEDRO COc1ccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001208406021 1034886132 /nfs/dbraw/zinc/88/61/32/1034886132.db2.gz RZNUYLUQQBPZOO-SJORKVTESA-N 1 0 378.476 3.694 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)CC(C)C ZINC001208429477 1034893461 /nfs/dbraw/zinc/89/34/61/1034893461.db2.gz OUSKLEPDKANMDA-NRFANRHFSA-N 1 0 396.539 3.681 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001160284186 1034927989 /nfs/dbraw/zinc/92/79/89/1034927989.db2.gz ZIYJVSVFMKMZDG-JTHBVZDNSA-N 1 0 387.543 3.856 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H]1CCCCN1Cc1ccccc1)C2 ZINC001208589045 1034945723 /nfs/dbraw/zinc/94/57/23/1034945723.db2.gz QBSPXNYVDWVGIO-HJOGWXRNSA-N 1 0 384.564 3.867 20 30 GHEDRO C#CC[C@H]([NH3+])C(=O)N(CCC)CCOc1c(Cl)cc(Cl)cc1Cl ZINC001160577560 1035007575 /nfs/dbraw/zinc/00/75/75/1035007575.db2.gz MSEXDHUCZFGGMK-AWEZNQCLSA-N 1 0 377.699 3.615 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160747939 1035053625 /nfs/dbraw/zinc/05/36/25/1035053625.db2.gz NWATUAWIAMGRNR-CABZTGNLSA-N 1 0 390.743 3.990 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)c1 ZINC001208852326 1035058296 /nfs/dbraw/zinc/05/82/96/1035058296.db2.gz GHIJDZYAMDSJMD-NRFANRHFSA-N 1 0 397.473 3.519 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1 ZINC001208852418 1035058436 /nfs/dbraw/zinc/05/84/36/1035058436.db2.gz JODGIGBXGZCZGT-VWLOTQADSA-N 1 0 385.511 3.891 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC001208859470 1035062341 /nfs/dbraw/zinc/06/23/41/1035062341.db2.gz QAUNDJFURLOICJ-XZOQPEGZSA-N 1 0 377.488 3.588 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1 ZINC001208858586 1035062789 /nfs/dbraw/zinc/06/27/89/1035062789.db2.gz IOYAFRKQTMHXSY-HSZRJFAPSA-N 1 0 391.515 3.726 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2nn(CC3CC3)cc21 ZINC001208858131 1035062913 /nfs/dbraw/zinc/06/29/13/1035062913.db2.gz DMQVRZDZZQWRLO-NRFANRHFSA-N 1 0 378.520 3.733 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](CCCc3ccc(C#N)cc3)CC2)C1 ZINC001208860856 1035063389 /nfs/dbraw/zinc/06/33/89/1035063389.db2.gz UOBQAIIKHZNQTL-UHFFFAOYSA-N 1 0 381.520 3.991 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC001208859806 1035063968 /nfs/dbraw/zinc/06/39/68/1035063968.db2.gz UHDYPZOHILMSAM-DEOSSOPVSA-N 1 0 391.490 3.755 20 30 GHEDRO Cc1cc(N2CC[NH+](CCCc3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 ZINC001208864501 1035066022 /nfs/dbraw/zinc/06/60/22/1035066022.db2.gz NKRCOVPHBHOYKQ-UHFFFAOYSA-N 1 0 385.515 3.807 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001160950523 1035103193 /nfs/dbraw/zinc/10/31/93/1035103193.db2.gz FEEZHRUIMZAGOG-MHECFPHRSA-N 1 0 398.510 3.920 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc(-c3cccnc3)o1)CC2 ZINC001232130875 1035112892 /nfs/dbraw/zinc/11/28/92/1035112892.db2.gz KVXGQZLWBUHABU-UHFFFAOYSA-N 1 0 396.491 3.737 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001161039363 1035123929 /nfs/dbraw/zinc/12/39/29/1035123929.db2.gz SKQBYPXWFQSWBJ-SFHVURJKSA-N 1 0 388.483 3.616 20 30 GHEDRO C=CCN(CC[NH+]1CCC(N(C(=O)CC)c2ccccc2)CC1)C(=O)OCC ZINC001209017201 1035152222 /nfs/dbraw/zinc/15/22/22/1035152222.db2.gz LVRWHLBARKKLNJ-UHFFFAOYSA-N 1 0 387.524 3.539 20 30 GHEDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3nc(Cl)cc(Cl)c3C#N)C2)c1 ZINC001161193648 1035174839 /nfs/dbraw/zinc/17/48/39/1035174839.db2.gz VSLXZOKAQANJOR-ZDUSSCGKSA-N 1 0 377.275 3.955 20 30 GHEDRO N#Cc1cc(C#N)c(NCC2CC[NH+](Cc3ccccc3F)CC2)nc1Cl ZINC001161194135 1035175806 /nfs/dbraw/zinc/17/58/06/1035175806.db2.gz KXQKWMJIWYPISK-UHFFFAOYSA-N 1 0 383.858 3.942 20 30 GHEDRO C#CCCC[NH+]1CCC2(CC1)C[C@@H](CC(=O)NCC(C)C)c1ccccc1O2 ZINC001209267910 1035227295 /nfs/dbraw/zinc/22/72/95/1035227295.db2.gz XXZPCAZUGCCLJG-HXUWFJFHSA-N 1 0 382.548 3.963 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N(Cc3ccccc3)C3CC[NH2+]CC3)no2)c1 ZINC001161432710 1035230133 /nfs/dbraw/zinc/23/01/33/1035230133.db2.gz YGMOEGFWWVBCOU-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO N#Cc1cc(Nc2ccc(Br)cc2C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001161856486 1035316257 /nfs/dbraw/zinc/31/62/57/1035316257.db2.gz GIKIOQHYUNLCQI-UHFFFAOYSA-N 1 0 398.220 3.979 20 30 GHEDRO Cc1nc2cc(-c3noc(C[C@H]([NH3+])Cc4ccc(C#N)cc4)n3)ccc2s1 ZINC001248156832 1035582674 /nfs/dbraw/zinc/58/26/74/1035582674.db2.gz GSZPREYIYVLLES-MRXNPFEDSA-N 1 0 375.457 3.639 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001248180196 1035608096 /nfs/dbraw/zinc/60/80/96/1035608096.db2.gz RPGLNEBUJBFHQN-FQEVSTJZSA-N 1 0 387.487 3.711 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C(F)(F)F)n2)c1 ZINC001248180376 1035609508 /nfs/dbraw/zinc/60/95/08/1035609508.db2.gz GLOOIIHHLSZERI-HNNXBMFYSA-N 1 0 390.340 3.879 20 30 GHEDRO CC[NH+](CC)Cc1ccc(-c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)cc1 ZINC001241578204 1035628787 /nfs/dbraw/zinc/62/87/87/1035628787.db2.gz IKMMJZFJSJKQKP-GOSISDBHSA-N 1 0 380.492 3.934 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(C[C@H]([NH3+])Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC001248212488 1035644236 /nfs/dbraw/zinc/64/42/36/1035644236.db2.gz KBLNVOGKNPMDRQ-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2nccc(-c3cc(C#N)c(F)cc3F)n2)cc1 ZINC001242147320 1035832929 /nfs/dbraw/zinc/83/29/29/1035832929.db2.gz AGUGVTKURARBRA-UHFFFAOYSA-N 1 0 380.398 3.901 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)[C@@H]2C1 ZINC001248750467 1036107933 /nfs/dbraw/zinc/10/79/33/1036107933.db2.gz KSACXPPOZJVHNW-JWQCQUIFSA-N 1 0 387.527 3.885 20 30 GHEDRO CCc1cc(C#N)ccc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001248750659 1036108519 /nfs/dbraw/zinc/10/85/19/1036108519.db2.gz REBCGBGETVEVAL-GMAHTHKFSA-N 1 0 379.479 3.597 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@H+](CCOC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001248752759 1036110078 /nfs/dbraw/zinc/11/00/78/1036110078.db2.gz ZJCWXKIEBVIZJU-FQEVSTJZSA-N 1 0 387.524 3.578 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(OC)c1F)[C@H]2CC ZINC001248754279 1036113514 /nfs/dbraw/zinc/11/35/14/1036113514.db2.gz QHUIDUINQOASAV-AVRDEDQJSA-N 1 0 390.499 3.765 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1[nH]nc3cc(C(F)(F)F)ccc31)C2 ZINC001248846380 1036199868 /nfs/dbraw/zinc/19/98/68/1036199868.db2.gz VOUVQKLLEVUSLC-HNAYVOBHSA-N 1 0 395.425 3.908 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@@H](N)CC4CC[NH2+]CC4)n3)cc2)cc1 ZINC001248895212 1036225817 /nfs/dbraw/zinc/22/58/17/1036225817.db2.gz BMNPNSPBONOYQG-FQEVSTJZSA-N 1 0 389.459 3.790 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2cccc([C@@H](C#N)C(=O)OC(C)(C)C)n2)c1 ZINC001243749557 1036266774 /nfs/dbraw/zinc/26/67/74/1036266774.db2.gz SNTLZSLLJRGDIO-GOSISDBHSA-N 1 0 381.476 3.638 20 30 GHEDRO N#Cc1ccc(-c2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)c(Cl)c1 ZINC001244330417 1036471295 /nfs/dbraw/zinc/47/12/95/1036471295.db2.gz UCLCEAXFHQBVHC-UHFFFAOYSA-N 1 0 394.906 3.974 20 30 GHEDRO COc1cc(OC)c(C2OCCO2)cc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001245195603 1036817636 /nfs/dbraw/zinc/81/76/36/1036817636.db2.gz XFBRRIKQDUZFDR-UHFFFAOYSA-N 1 0 394.471 3.561 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001245892703 1037046205 /nfs/dbraw/zinc/04/62/05/1037046205.db2.gz XSTQAAIFHZXZMD-CTNGQTDRSA-N 1 0 376.529 3.851 20 30 GHEDRO C=CCCCCCC[C@H](O)CNc1ccc(C)cc1C(=O)NC1CC[NH2+]CC1 ZINC001245975726 1037101844 /nfs/dbraw/zinc/10/18/44/1037101844.db2.gz RIYRYYNLEXDVLF-FQEVSTJZSA-N 1 0 387.568 3.776 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CCC2(C[NH2+]C2)C1 ZINC001246028654 1037146157 /nfs/dbraw/zinc/14/61/57/1037146157.db2.gz UAHQSLIRZTZXBF-QFIPXVFZSA-N 1 0 398.632 3.597 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246029277 1037146291 /nfs/dbraw/zinc/14/62/91/1037146291.db2.gz VYIPHYQCYISOAL-RJGXRXQPSA-N 1 0 398.632 3.595 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CCCC12C[NH2+]C2 ZINC001246032956 1037150595 /nfs/dbraw/zinc/15/05/95/1037150595.db2.gz NCISZYNSUQKSGA-QFIPXVFZSA-N 1 0 398.632 3.739 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246526827 1037460370 /nfs/dbraw/zinc/46/03/70/1037460370.db2.gz RONXRXNMHMTKTC-RBUKOAKNSA-N 1 0 377.573 3.654 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)N1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001246806395 1037639272 /nfs/dbraw/zinc/63/92/72/1037639272.db2.gz MNDLAPCSLFTNAI-QRWLVFNGSA-N 1 0 384.321 3.898 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)N1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001246806396 1037639871 /nfs/dbraw/zinc/63/98/71/1037639871.db2.gz MNDLAPCSLFTNAI-YWZLYKJASA-N 1 0 384.321 3.898 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232268863 1037991755 /nfs/dbraw/zinc/99/17/55/1037991755.db2.gz WKOHSNFRYVFUSG-HXUWFJFHSA-N 1 0 378.900 3.587 20 30 GHEDRO COc1ccc([C@@H]([NH3+])Cc2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)cn1 ZINC001247259291 1038035504 /nfs/dbraw/zinc/03/55/04/1038035504.db2.gz QNPOBKGDWROBBY-AWEZNQCLSA-N 1 0 390.230 3.561 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cccc(Br)c1N)CCO2 ZINC001232524823 1038289395 /nfs/dbraw/zinc/28/93/95/1038289395.db2.gz FYQLISNSYZOVEH-QFBILLFUSA-N 1 0 395.341 3.605 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(Br)c(C)s3)C2)C1=O ZINC001277679070 1038307133 /nfs/dbraw/zinc/30/71/33/1038307133.db2.gz AIFCJFGTBHGLHB-KRWDZBQOSA-N 1 0 383.355 3.820 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3SC)CC2)C1=O ZINC001277688574 1038392670 /nfs/dbraw/zinc/39/26/70/1038392670.db2.gz LBWNBLQBLCVNJI-FQEVSTJZSA-N 1 0 376.953 3.900 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@H]4C[NH2+]CC45CCOCC5)n3)cc2)cc1 ZINC001247841749 1038417466 /nfs/dbraw/zinc/41/74/66/1038417466.db2.gz NAZODIYQSUDOJV-FQEVSTJZSA-N 1 0 386.455 3.759 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@H]4CCCC5(C[NH2+]C5)O4)n3)cc2)cc1 ZINC001247841958 1038418318 /nfs/dbraw/zinc/41/83/18/1038418318.db2.gz XBYXLYGEFCDJRR-LJQANCHMSA-N 1 0 388.427 3.984 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@@H]4CC[C@H]5[NH2+]CC[C@H]5O4)n3)cc2)cc1 ZINC001247910537 1038486647 /nfs/dbraw/zinc/48/66/47/1038486647.db2.gz RBKVSRLNFPZTQJ-AQNXPRMDSA-N 1 0 388.427 3.983 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccc(C#N)s3)CC2)c2ccc(C)cc21 ZINC001232843127 1038593609 /nfs/dbraw/zinc/59/36/09/1038593609.db2.gz IYKZCWKDCSPTSD-FQEVSTJZSA-N 1 0 394.544 3.836 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c[nH]c4ccc(O)cc34)CC2)cc1 ZINC001232866674 1038625270 /nfs/dbraw/zinc/62/52/70/1038625270.db2.gz CSJLXXSMFWAUAD-UHFFFAOYSA-N 1 0 389.459 3.531 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001232890716 1038676950 /nfs/dbraw/zinc/67/69/50/1038676950.db2.gz LVYQRPCKELAVMF-CDNPAEQRSA-N 1 0 378.495 3.825 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001232890718 1038678434 /nfs/dbraw/zinc/67/84/34/1038678434.db2.gz LVYQRPCKELAVMF-SXSPYAJSSA-N 1 0 378.495 3.825 20 30 GHEDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(Br)c(C#N)c1 ZINC001232896043 1038691961 /nfs/dbraw/zinc/69/19/61/1038691961.db2.gz ZBKGIVIRAANHJF-UHFFFAOYSA-N 1 0 387.277 3.886 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)n2)CC1 ZINC001232923277 1038712655 /nfs/dbraw/zinc/71/26/55/1038712655.db2.gz SNNKFTRHNJPRTI-FQEVSTJZSA-N 1 0 384.524 3.955 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c(C#N)c1 ZINC001232966836 1038741573 /nfs/dbraw/zinc/74/15/73/1038741573.db2.gz WJVSJAWJZMENMQ-QIDMFYOTSA-N 1 0 393.556 3.745 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccc(O)c4F)C3)C2)c1 ZINC001233052627 1038813823 /nfs/dbraw/zinc/81/38/23/1038813823.db2.gz QUYFHCQWDUDNFI-QHCPKHFHSA-N 1 0 395.478 3.522 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001233081539 1038852276 /nfs/dbraw/zinc/85/22/76/1038852276.db2.gz ZCHOJYIIUVCXMR-JOCHJYFZSA-N 1 0 391.515 3.959 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC001252126920 1038875993 /nfs/dbraw/zinc/87/59/93/1038875993.db2.gz UUOAGDQUDHCSJJ-PZJWPPBQSA-N 1 0 377.573 3.870 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001252128181 1038880333 /nfs/dbraw/zinc/88/03/33/1038880333.db2.gz JWWMQSIUHHFPOI-CTNGQTDRSA-N 1 0 394.600 3.638 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001252135951 1038887989 /nfs/dbraw/zinc/88/79/89/1038887989.db2.gz JSTCPOLMTSOZQG-RAFMOHDBSA-N 1 0 398.588 3.854 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001252139248 1038890308 /nfs/dbraw/zinc/89/03/08/1038890308.db2.gz IJUHSDSLAAFWMQ-QFIPXVFZSA-N 1 0 385.552 3.864 20 30 GHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252313825 1038939651 /nfs/dbraw/zinc/93/96/51/1038939651.db2.gz RMYKNURMVISROD-FHSNZYRGSA-N 1 0 383.414 3.529 20 30 GHEDRO C[C@](O)(C[NH+]1CC2(C1)CCCCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252319710 1038941803 /nfs/dbraw/zinc/94/18/03/1038941803.db2.gz CSGLQXKMMJPWTI-SFHVURJKSA-N 1 0 395.425 3.533 20 30 GHEDRO Cc1c[nH]c(=O)c(C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)c1 ZINC001233192676 1038960635 /nfs/dbraw/zinc/96/06/35/1038960635.db2.gz JXWFREOXNXKDIA-UHFFFAOYSA-N 1 0 386.293 3.916 20 30 GHEDRO C=CCOC[C@H](O)CNc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001252483179 1039001840 /nfs/dbraw/zinc/00/18/40/1039001840.db2.gz NQNBLODQOFDQKM-OAHLLOKOSA-N 1 0 375.428 3.541 20 30 GHEDRO C=CCOC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC001252494174 1039005403 /nfs/dbraw/zinc/00/54/03/1039005403.db2.gz WYDJHBZURVCLPQ-MOPGFXCFSA-N 1 0 376.294 3.692 20 30 GHEDRO C=CCOC[C@H](O)C[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001252499076 1039007013 /nfs/dbraw/zinc/00/70/13/1039007013.db2.gz VDHRCHWZESGJIQ-RTWAWAEBSA-N 1 0 375.896 3.751 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]CC1(c2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583403 1039038847 /nfs/dbraw/zinc/03/88/47/1039038847.db2.gz JQBCQBDKHHKTSR-OAQYLSRUSA-N 1 0 392.515 3.621 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H](CC(=O)NCC3CC3)c3ccccc32)CC1 ZINC001252595609 1039040701 /nfs/dbraw/zinc/04/07/01/1039040701.db2.gz JJCXWNOXQHHZGD-RTWAWAEBSA-N 1 0 396.575 3.751 20 30 GHEDRO C=CCC[C@@H](O)C[N@H+](C1CCOCC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252604815 1039044969 /nfs/dbraw/zinc/04/49/69/1039044969.db2.gz ZWXHBVZRVQPGKV-QWFCFKBJSA-N 1 0 396.572 3.630 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]Cc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001252616478 1039050549 /nfs/dbraw/zinc/05/05/49/1039050549.db2.gz PUGMTLMXSSVEHQ-DOTOQJQBSA-N 1 0 393.503 3.597 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](Cc3ccc(C#N)cc3[O-])C2)CC1 ZINC001233383577 1039208977 /nfs/dbraw/zinc/20/89/77/1039208977.db2.gz MZJVDXWTCYVDLI-UHFFFAOYSA-N 1 0 385.508 3.877 20 30 GHEDRO COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(C#N)cc2[O-])CC3)c1 ZINC001233385856 1039211499 /nfs/dbraw/zinc/21/14/99/1039211499.db2.gz VPWSPWDHZHVRQY-UHFFFAOYSA-N 1 0 391.515 3.761 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)cc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252942481 1039286585 /nfs/dbraw/zinc/28/65/85/1039286585.db2.gz ZGRYVSPEBJERNL-IBGZPJMESA-N 1 0 376.287 3.914 20 30 GHEDRO CCCCCCCCCC[C@H](O)CN1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001252980510 1039308650 /nfs/dbraw/zinc/30/86/50/1039308650.db2.gz UUZODHICOVWNLF-RTWAWAEBSA-N 1 0 378.605 3.768 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC001252984276 1039312944 /nfs/dbraw/zinc/31/29/44/1039312944.db2.gz FYBHAEAQGATMIT-QFIPXVFZSA-N 1 0 396.616 3.885 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001253236338 1039491202 /nfs/dbraw/zinc/49/12/02/1039491202.db2.gz SDDCQWFGWRAFQB-UNWVZKJWSA-N 1 0 385.552 3.644 20 30 GHEDRO C=CCCCCCC[C@H](O)CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001253236512 1039491341 /nfs/dbraw/zinc/49/13/41/1039491341.db2.gz DQIAQFDQPLACIX-FPOVZHCZSA-N 1 0 376.589 3.987 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001253236733 1039493020 /nfs/dbraw/zinc/49/30/20/1039493020.db2.gz GCZPNTZVDLAYSL-HSALFYBXSA-N 1 0 376.566 3.639 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCN(CC(F)(F)F)C2=O)CC1 ZINC001253241814 1039498515 /nfs/dbraw/zinc/49/85/15/1039498515.db2.gz DRXACBMTFCLUTQ-QGZVFWFLSA-N 1 0 390.490 3.751 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001253243569 1039499814 /nfs/dbraw/zinc/49/98/14/1039499814.db2.gz XJCWUXLETQJZBH-SIKLNZKXSA-N 1 0 396.572 3.586 20 30 GHEDRO C=CCCCCCC[C@@H](O)CNc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001253243729 1039500458 /nfs/dbraw/zinc/50/04/58/1039500458.db2.gz YDYGMCFITUVVSD-HXUWFJFHSA-N 1 0 375.557 3.746 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001253243258 1039500552 /nfs/dbraw/zinc/50/05/52/1039500552.db2.gz TUNUITBTVFSBGA-HZPDHXFCSA-N 1 0 387.446 3.836 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001253247826 1039501554 /nfs/dbraw/zinc/50/15/54/1039501554.db2.gz MMABRWPIMGVBIX-NRFANRHFSA-N 1 0 376.516 3.907 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001253246895 1039501986 /nfs/dbraw/zinc/50/19/86/1039501986.db2.gz DIJMKKRIEBSXDE-CNNODRBYSA-N 1 0 396.572 3.632 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253247091 1039502071 /nfs/dbraw/zinc/50/20/71/1039502071.db2.gz WHTSRKJSBQBLAD-UGKGYDQZSA-N 1 0 398.588 3.616 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)COC)CC1 ZINC001253563155 1039706074 /nfs/dbraw/zinc/70/60/74/1039706074.db2.gz BKKLFBSPKPOZLC-OAQYLSRUSA-N 1 0 384.605 3.885 20 30 GHEDRO C=C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC001253583866 1039709769 /nfs/dbraw/zinc/70/97/69/1039709769.db2.gz AMODIBBHDGXQCT-LMNJBCLMSA-N 1 0 399.462 3.586 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587248 1039711608 /nfs/dbraw/zinc/71/16/08/1039711608.db2.gz JTYSWIRATYAJGV-IBGZPJMESA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C)cc21 ZINC001253599636 1039717236 /nfs/dbraw/zinc/71/72/36/1039717236.db2.gz RBYFVDSQBOBFQG-FXAWDEMLSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@@H](O)C[NH2+]C1(Cc2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253607458 1039719710 /nfs/dbraw/zinc/71/97/10/1039719710.db2.gz XLJYVAFDZLZCHV-GOSISDBHSA-N 1 0 394.943 3.789 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1ncc[nH]1 ZINC001253614082 1039722800 /nfs/dbraw/zinc/72/28/00/1039722800.db2.gz IVCLQJCBEKOHBE-FQEVSTJZSA-N 1 0 383.577 3.814 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC001253617127 1039728345 /nfs/dbraw/zinc/72/83/45/1039728345.db2.gz ZZUOTKGDDHUJFX-VXKWHMMOSA-N 1 0 387.605 3.616 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC001253616854 1039728574 /nfs/dbraw/zinc/72/85/74/1039728574.db2.gz JJJXAEYHXZWDSD-VXKWHMMOSA-N 1 0 387.605 3.662 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)ccc1-n1ccnc1 ZINC001234075579 1039814616 /nfs/dbraw/zinc/81/46/16/1039814616.db2.gz LLJQWFPXRIERQV-FQEVSTJZSA-N 1 0 388.471 3.796 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001277841454 1039936854 /nfs/dbraw/zinc/93/68/54/1039936854.db2.gz UEHVRBKWNPMLHW-SJLPKXTDSA-N 1 0 376.463 3.503 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254022754 1039959030 /nfs/dbraw/zinc/95/90/30/1039959030.db2.gz VJBFPAXRCTWJRE-UHFFFAOYSA-N 1 0 387.568 3.695 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001254306102 1040156221 /nfs/dbraw/zinc/15/62/21/1040156221.db2.gz MGSPMBLRTDGVEP-XQBPLPMBSA-N 1 0 394.556 3.602 20 30 GHEDRO COCCOc1ccc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)cn1 ZINC001254348414 1040181842 /nfs/dbraw/zinc/18/18/42/1040181842.db2.gz LJEKKEQTCSPKTC-UHFFFAOYSA-N 1 0 383.467 3.740 20 30 GHEDRO CCc1nnc2ccc(C[NH2+]C3CCC(C#N)(c4ccc(F)cc4)CC3)cn21 ZINC001254350689 1040183311 /nfs/dbraw/zinc/18/33/11/1040183311.db2.gz MSXATZUKDRBAKY-UHFFFAOYSA-N 1 0 377.467 3.925 20 30 GHEDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](C1CCC(C#N)(c3ccc(F)cc3)CC1)CC2 ZINC001254357812 1040189648 /nfs/dbraw/zinc/18/96/48/1040189648.db2.gz OUNHZRDHKHDHKV-KQVJYAISSA-N 1 0 383.511 3.720 20 30 GHEDRO CC1(N2CCOCC2)CC[NH+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254359283 1040191597 /nfs/dbraw/zinc/19/15/97/1040191597.db2.gz VJKJHGHDHNHXCM-UHFFFAOYSA-N 1 0 385.527 3.716 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1OC(C)C)C2 ZINC001234713887 1040245616 /nfs/dbraw/zinc/24/56/16/1040245616.db2.gz AZVRGWRMBRDASJ-IFMALSPDSA-N 1 0 375.509 3.809 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC001254662321 1040425063 /nfs/dbraw/zinc/42/50/63/1040425063.db2.gz FHZSFHFWRUNYJR-UYAOXDASSA-N 1 0 389.499 3.961 20 30 GHEDRO N#C[C@H]1CC[C@@H]([N@H+]2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)C1 ZINC001254662802 1040425476 /nfs/dbraw/zinc/42/54/76/1040425476.db2.gz LFWPPJYTTNIIGD-FXAWDEMLSA-N 1 0 391.494 3.662 20 30 GHEDRO N#C[C@H]1CC[C@@H]([N@H+]2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC001254662318 1040425527 /nfs/dbraw/zinc/42/55/27/1040425527.db2.gz FHZSFHFWRUNYJR-AZUAARDMSA-N 1 0 389.499 3.961 20 30 GHEDRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)Oc2ccccc21 ZINC001254663166 1040425613 /nfs/dbraw/zinc/42/56/13/1040425613.db2.gz OWOVXNKQPQZFSY-XUVXKRRUSA-N 1 0 395.547 3.994 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254677170 1040432953 /nfs/dbraw/zinc/43/29/53/1040432953.db2.gz QPADANQMBWTXBA-PXNSSMCTSA-N 1 0 384.524 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)CS2 ZINC001254681592 1040437215 /nfs/dbraw/zinc/43/72/15/1040437215.db2.gz HVGLRBIEDRCTMO-KRWDZBQOSA-N 1 0 387.549 3.878 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-c3nnc(C)o3)cc1)[C@H]2CC ZINC001235046972 1040540041 /nfs/dbraw/zinc/54/00/41/1040540041.db2.gz BALHTJXWCJSPQO-REWPJTCUSA-N 1 0 394.519 3.967 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(CC)n3)C[C@@H]2c2ccccc2)C1=O ZINC001235256614 1040740589 /nfs/dbraw/zinc/74/05/89/1040740589.db2.gz FTABZSQGBWRLLN-VWNXMTODSA-N 1 0 375.516 3.648 20 30 GHEDRO CCCCCCCC[N@H+](CCN)C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255055307 1040754250 /nfs/dbraw/zinc/75/42/50/1040754250.db2.gz NVGZVTXDJAOTON-IHWFROFDSA-N 1 0 397.604 3.775 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001255215386 1040909947 /nfs/dbraw/zinc/90/99/47/1040909947.db2.gz WRJUAZMQALVYTG-FUMNGEBKSA-N 1 0 383.492 3.553 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCC[C@H](C(=O)OCC)C1)[C@@H]2CC ZINC001255359625 1040961516 /nfs/dbraw/zinc/96/15/16/1040961516.db2.gz CWNDUMLCULZCFW-VWNVYAMZSA-N 1 0 376.541 3.530 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001235519045 1040973192 /nfs/dbraw/zinc/97/31/92/1040973192.db2.gz QIUHHMSVGWRZNV-JOCHJYFZSA-N 1 0 391.515 3.845 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001235526420 1040975471 /nfs/dbraw/zinc/97/54/71/1040975471.db2.gz DFBTUSCKSLULEN-INIZCTEOSA-N 1 0 376.382 3.605 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255405817 1040992733 /nfs/dbraw/zinc/99/27/33/1040992733.db2.gz YNZGQXWVRWEQLX-JTHBVZDNSA-N 1 0 394.563 3.577 20 30 GHEDRO CC[C@@H]1N(Cc2c(F)cc(C#N)cc2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001235654153 1041100457 /nfs/dbraw/zinc/10/04/57/1041100457.db2.gz LKEPGUOCRIOQPI-UNMCSNQZSA-N 1 0 387.474 3.982 20 30 GHEDRO CN1Cc2ccccc2CC2(CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)C1=O ZINC001235654383 1041101879 /nfs/dbraw/zinc/10/18/79/1041101879.db2.gz OFGQHSYXLSZQBZ-UHFFFAOYSA-N 1 0 395.453 3.633 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3c(F)cc(C#N)cc3F)C2)C1=O ZINC001235657151 1041104731 /nfs/dbraw/zinc/10/47/31/1041104731.db2.gz MMVLQHCMRSGGHR-QHCPKHFHSA-N 1 0 395.453 3.983 20 30 GHEDRO C[C@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001235968565 1041473572 /nfs/dbraw/zinc/47/35/72/1041473572.db2.gz IRJSSSWUYNNORM-SUMWQHHRSA-N 1 0 383.870 3.546 20 30 GHEDRO N#Cc1ccc(OC2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1Cl ZINC001235970021 1041474993 /nfs/dbraw/zinc/47/49/93/1041474993.db2.gz GVKCHVBCVSPKJX-IBGZPJMESA-N 1 0 381.907 3.769 20 30 GHEDRO C=CCOCc1nn([C@H](C)Cc2cccc(Br)c2)c2c1C[NH2+]C2 ZINC001256184458 1041628856 /nfs/dbraw/zinc/62/88/56/1041628856.db2.gz ZEZOAAKHZCJJAU-CYBMUJFWSA-N 1 0 376.298 3.755 20 30 GHEDRO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](N)C(=O)OC)C2)cc1 ZINC001236273275 1041648936 /nfs/dbraw/zinc/64/89/36/1041648936.db2.gz CYCFEAYORZNMFN-FPOVZHCZSA-N 1 0 376.541 3.748 20 30 GHEDRO N#Cc1c(N)sc(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)c1Cl ZINC001236359061 1041682155 /nfs/dbraw/zinc/68/21/55/1041682155.db2.gz XVEFAKFGJIKCQO-ZDUSSCGKSA-N 1 0 378.904 3.749 20 30 GHEDRO Cn1cc(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001236391026 1041696334 /nfs/dbraw/zinc/69/63/34/1041696334.db2.gz GCJOHUVXLSLRCW-OAQYLSRUSA-N 1 0 376.479 3.943 20 30 GHEDRO N#Cc1cc(F)ccc1CN(Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236497306 1041739694 /nfs/dbraw/zinc/73/96/94/1041739694.db2.gz KFGBETCWOGQIPN-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(C#N)cc2F)nc2ccccc21 ZINC001236528434 1041754367 /nfs/dbraw/zinc/75/43/67/1041754367.db2.gz VJDWYHSCMMLMTJ-UHFFFAOYSA-N 1 0 390.462 3.984 20 30 GHEDRO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(SC(F)(F)F)c1 ZINC001278000065 1041847304 /nfs/dbraw/zinc/84/73/04/1041847304.db2.gz BAKAEZDZEOZQET-SFHVURJKSA-N 1 0 382.451 3.889 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1Cl)C2 ZINC001236918529 1041957915 /nfs/dbraw/zinc/95/79/15/1041957915.db2.gz CIQUSQRSXNORPJ-PZJWPPBQSA-N 1 0 387.911 3.852 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(-c4ccccc4F)nc3)C2)C1=O ZINC001236988682 1041979893 /nfs/dbraw/zinc/97/98/93/1041979893.db2.gz KVKBDLBOOQOVLD-HSZRJFAPSA-N 1 0 379.479 3.888 20 30 GHEDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001237138741 1042060338 /nfs/dbraw/zinc/06/03/38/1042060338.db2.gz YGRPRBOWQHNBPU-CHWSQXEVSA-N 1 0 375.284 3.638 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)ccn1 ZINC001237462397 1042217808 /nfs/dbraw/zinc/21/78/08/1042217808.db2.gz GKZGMNBWRGLDFX-UHFFFAOYSA-N 1 0 398.510 3.506 20 30 GHEDRO Cn1cc(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c2cc(C#N)ccc21 ZINC001237465105 1042218488 /nfs/dbraw/zinc/21/84/88/1042218488.db2.gz GTWYCTMAVATVOH-UHFFFAOYSA-N 1 0 394.519 3.883 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c2cc(C#N)ccc21 ZINC001237469295 1042221142 /nfs/dbraw/zinc/22/11/42/1042221142.db2.gz SPIBPQZOAYOHFG-FXAWDEMLSA-N 1 0 394.519 3.881 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1[nH]nc3cc(Cl)ccc31)C2 ZINC001237998747 1042452061 /nfs/dbraw/zinc/45/20/61/1042452061.db2.gz WXYYIMTYAZLIMX-UXHICEINSA-N 1 0 375.900 3.790 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC001238083328 1042486145 /nfs/dbraw/zinc/48/61/45/1042486145.db2.gz RLXMZBZZJBFKER-OAHLLOKOSA-N 1 0 375.900 3.900 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001238085272 1042486535 /nfs/dbraw/zinc/48/65/35/1042486535.db2.gz ZLEYQYRFAVCEQN-KRWDZBQOSA-N 1 0 393.915 3.669 20 30 GHEDRO N#Cc1cc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001238191593 1042515049 /nfs/dbraw/zinc/51/50/49/1042515049.db2.gz SWHCSUDRZJRRAM-ICSRJNTNSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(F)c(-c4ccncc4)c3)CC2)nc1 ZINC001238559455 1042639697 /nfs/dbraw/zinc/63/96/97/1042639697.db2.gz WAYHLGZHUOIKHM-UHFFFAOYSA-N 1 0 387.462 3.867 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(C)cnc3SC)C2)C1 ZINC001238710148 1042695434 /nfs/dbraw/zinc/69/54/34/1042695434.db2.gz ADMHKBPZJHFVHX-HXUWFJFHSA-N 1 0 375.538 3.722 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)ccc1C#N ZINC001238762349 1042718176 /nfs/dbraw/zinc/71/81/76/1042718176.db2.gz JSELHADSELQVEL-UHFFFAOYSA-N 1 0 388.515 3.644 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)ccc1C#N ZINC001238762830 1042718759 /nfs/dbraw/zinc/71/87/59/1042718759.db2.gz NWQPQFYENLVGAU-JTHBVZDNSA-N 1 0 377.488 3.718 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccnc1OCc1ccccc1)C2 ZINC001238772833 1042722285 /nfs/dbraw/zinc/72/22/85/1042722285.db2.gz JZQNSNQQZQSQEF-LADGPHEKSA-N 1 0 394.515 3.987 20 30 GHEDRO CCCCCCCCNC(=O)Nc1ccc(C)cc1C(=O)NC1CC[NH2+]CC1 ZINC001239201551 1042785941 /nfs/dbraw/zinc/78/59/41/1042785941.db2.gz CQIBENFZZZPEOJ-UHFFFAOYSA-N 1 0 388.556 3.959 20 30 GHEDRO CCCCCCCNC(=O)NCC1(Cc2cccc(OC)c2)CC[NH2+]CC1 ZINC001239239850 1042793903 /nfs/dbraw/zinc/79/39/03/1042793903.db2.gz OSNLSSUDCUCUCC-UHFFFAOYSA-N 1 0 375.557 3.877 20 30 GHEDRO CC(C)c1ccc(NC(=S)Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239344690 1042810899 /nfs/dbraw/zinc/81/08/99/1042810899.db2.gz SIMKWBVZTQTKDW-UHFFFAOYSA-N 1 0 379.533 3.900 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@H]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC001239359934 1042812822 /nfs/dbraw/zinc/81/28/22/1042812822.db2.gz CLYPJZXIMMFVNA-ZDUSSCGKSA-N 1 0 393.354 3.529 20 30 GHEDRO CCCCCCCCCCCCNC(=S)NCc1nnc2n1CCC[NH2+]C2 ZINC001239362368 1042813347 /nfs/dbraw/zinc/81/33/47/1042813347.db2.gz JZGGERNCCGKBRH-UHFFFAOYSA-N 1 0 394.633 3.656 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCCC[C@@]23CCC[NH2+]C3)c(Br)c1 ZINC001239430221 1042826957 /nfs/dbraw/zinc/82/69/57/1042826957.db2.gz ZSOSHTBHGUMVGN-KRWDZBQOSA-N 1 0 393.354 3.626 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC001239460744 1042832900 /nfs/dbraw/zinc/83/29/00/1042832900.db2.gz QBELEFDTXQDNAL-KRWDZBQOSA-N 1 0 390.434 3.920 20 30 GHEDRO COc1ncc(-c2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1N ZINC001239623731 1042839853 /nfs/dbraw/zinc/83/98/53/1042839853.db2.gz DHSICWXNODSTKS-UHFFFAOYSA-N 1 0 399.498 3.792 20 30 GHEDRO N#C/N=C1\SCCN1Cc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC001240050987 1042876872 /nfs/dbraw/zinc/87/68/72/1042876872.db2.gz XHTYXRPGQMFOEN-FLFQWRMESA-N 1 0 377.517 3.730 20 30 GHEDRO N#Cc1cc(-c2ccc(-c3ccc4c(c3)OCCCO4)nn2)cc(C2C[NH2+]C2)c1 ZINC001240346758 1042922316 /nfs/dbraw/zinc/92/23/16/1042922316.db2.gz WONARBVYILAMPK-UHFFFAOYSA-N 1 0 384.439 3.530 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4nc(C(F)(F)F)ccc4C#N)cc3)CC2)CC1 ZINC001240574001 1042942263 /nfs/dbraw/zinc/94/22/63/1042942263.db2.gz ZUGZCQWCCKCLDH-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)[C@@H]1C ZINC001291153463 1043112479 /nfs/dbraw/zinc/11/24/79/1043112479.db2.gz HEUQOXRFENDNJR-IAGOWNOFSA-N 1 0 378.524 3.536 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291481000 1043295917 /nfs/dbraw/zinc/29/59/17/1043295917.db2.gz NLKLQKHEIWXWEL-NVXWUHKLSA-N 1 0 386.569 3.896 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256526029 1043453148 /nfs/dbraw/zinc/45/31/48/1043453148.db2.gz HZYSGTJSVUBYAP-HUVFLSCGSA-N 1 0 392.543 3.970 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCN(Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256537400 1043484620 /nfs/dbraw/zinc/48/46/20/1043484620.db2.gz NJRZQOJWKPEHDN-IFMALSPDSA-N 1 0 397.563 3.760 20 30 GHEDRO ON=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001256596666 1043561297 /nfs/dbraw/zinc/56/12/97/1043561297.db2.gz DXQGUFLVSQZXLV-UHFFFAOYSA-N 1 0 393.409 3.975 20 30 GHEDRO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCC1)[NH+]1CCCC1 ZINC001292185490 1043618689 /nfs/dbraw/zinc/61/86/89/1043618689.db2.gz QNHBUKXHVZGJOK-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)CC1 ZINC001256948409 1043768662 /nfs/dbraw/zinc/76/86/62/1043768662.db2.gz PTWSKIIGHSTIRQ-SFTDATJTSA-N 1 0 385.552 3.931 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]CCN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC001257011680 1043798380 /nfs/dbraw/zinc/79/83/80/1043798380.db2.gz YHCHBJFRWKQHIW-UHFFFAOYSA-N 1 0 388.559 3.996 20 30 GHEDRO CCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001292933415 1043951437 /nfs/dbraw/zinc/95/14/37/1043951437.db2.gz DZTDJYLUGJSMRN-KRWDZBQOSA-N 1 0 398.580 3.869 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H](C)CCC(=O)OCCCC)CC2)C1 ZINC001257392711 1043981446 /nfs/dbraw/zinc/98/14/46/1043981446.db2.gz DBKTYGUZPZNINP-LJQANCHMSA-N 1 0 394.556 3.999 20 30 GHEDRO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001257565036 1044050914 /nfs/dbraw/zinc/05/09/14/1044050914.db2.gz PWWCUUWDQSQUEY-MRXNPFEDSA-N 1 0 399.336 3.859 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3c[nH]c4cccc(C#N)c43)CCCCC2)CCO1 ZINC001293220450 1044067805 /nfs/dbraw/zinc/06/78/05/1044067805.db2.gz VFEUVEXIEDDSAP-UHFFFAOYSA-N 1 0 394.519 3.583 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001293423341 1044169298 /nfs/dbraw/zinc/16/92/98/1044169298.db2.gz DIXOVGDFHSWZRZ-VQIMIIECSA-N 1 0 378.524 3.678 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3OCCc4cn(Cc5ccccn5)nc43)C[C@H](C1)C2 ZINC001257886834 1044244526 /nfs/dbraw/zinc/24/45/26/1044244526.db2.gz NCNZBYXQOAYCMC-DPZKRJQXSA-N 1 0 378.520 3.665 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3CO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H](C1)C2 ZINC001257886527 1044245001 /nfs/dbraw/zinc/24/50/01/1044245001.db2.gz IEZYEYUAUQEQEP-MGJRKKODSA-N 1 0 376.541 3.879 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3Cc4c(cnn4C)[C@@H](COc4cccnc4)C3)C[C@H](C1)C2 ZINC001257890919 1044245503 /nfs/dbraw/zinc/24/55/03/1044245503.db2.gz CBZNJPZFQVUYAK-BMHONFFRSA-N 1 0 378.520 3.928 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257960286 1044277081 /nfs/dbraw/zinc/27/70/81/1044277081.db2.gz HFYRMZLCUWLSOA-HMXCVIKNSA-N 1 0 377.912 3.717 20 30 GHEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001258047120 1044369000 /nfs/dbraw/zinc/36/90/00/1044369000.db2.gz HLWFKEHWJNNBGG-FQEVSTJZSA-N 1 0 376.589 3.836 20 30 GHEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001258228017 1044477849 /nfs/dbraw/zinc/47/78/49/1044477849.db2.gz CIYYXKRLQQCFQM-DENIHFKCSA-N 1 0 379.589 3.719 20 30 GHEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC001258230012 1044478535 /nfs/dbraw/zinc/47/85/35/1044478535.db2.gz XFVRWIFYIPHQGG-XAPVIXHLSA-N 1 0 382.589 3.852 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001258394326 1044531289 /nfs/dbraw/zinc/53/12/89/1044531289.db2.gz KECFLAJORNSJEZ-GOSISDBHSA-N 1 0 391.515 3.782 20 30 GHEDRO [NH2+]=C(N[C@@H]1CCC(=O)N(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001258567229 1044645575 /nfs/dbraw/zinc/64/55/75/1044645575.db2.gz QWTXSYQADQAMCL-GOSISDBHSA-N 1 0 389.421 3.992 20 30 GHEDRO C[C@@H](Cc1cccnc1)[NH2+]CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001258615431 1044670331 /nfs/dbraw/zinc/67/03/31/1044670331.db2.gz IHPNQPPWJKPZKQ-FQEVSTJZSA-N 1 0 395.506 3.939 20 30 GHEDRO CC[NH+]1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCC2)CC1 ZINC001296021046 1045223444 /nfs/dbraw/zinc/22/34/44/1045223444.db2.gz DKPKVLFBTZUNBE-UHFFFAOYSA-N 1 0 378.524 3.539 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC001296125428 1045258669 /nfs/dbraw/zinc/25/86/69/1045258669.db2.gz AVUQEFGNDBQYGG-OAQYLSRUSA-N 1 0 377.488 3.740 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CC)CCC2)C[C@H]1C ZINC001296148942 1045265444 /nfs/dbraw/zinc/26/54/44/1045265444.db2.gz DUIKIKUZWCUSMC-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC001298028583 1045682224 /nfs/dbraw/zinc/68/22/24/1045682224.db2.gz LDCLJKPKAPESES-UGKGYDQZSA-N 1 0 378.524 3.588 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C[NH+](C)C ZINC001298488897 1045831706 /nfs/dbraw/zinc/83/17/06/1045831706.db2.gz DRXGEJVONRDAKX-SFHVURJKSA-N 1 0 375.513 3.936 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC001298496570 1045835350 /nfs/dbraw/zinc/83/53/50/1045835350.db2.gz YYIARVXFDOCKTE-UHFFFAOYSA-N 1 0 380.492 3.635 20 30 GHEDRO COc1ccccc1SC[C@@H](C)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001261436199 1045997625 /nfs/dbraw/zinc/99/76/25/1045997625.db2.gz TUHQFUSLKVEEPT-INIZCTEOSA-N 1 0 383.517 3.913 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001301019382 1046293280 /nfs/dbraw/zinc/29/32/80/1046293280.db2.gz IKWCOHNEHDIDGU-HOTGVXAUSA-N 1 0 389.931 3.625 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301033559 1046298798 /nfs/dbraw/zinc/29/87/98/1046298798.db2.gz GHZGOVHWGGBXEH-UHFFFAOYSA-N 1 0 388.947 3.726 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001301077631 1046323620 /nfs/dbraw/zinc/32/36/20/1046323620.db2.gz BGBREBIMXPKGST-GOSISDBHSA-N 1 0 381.524 3.594 20 30 GHEDRO C=C1CCN(c2nnc(CC(C)C)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001301087132 1046330662 /nfs/dbraw/zinc/33/06/62/1046330662.db2.gz VMOIBIVBDRAPMN-UHFFFAOYSA-N 1 0 397.567 3.622 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001301126996 1046360779 /nfs/dbraw/zinc/36/07/79/1046360779.db2.gz GELMHQQFKDVCCH-MRXNPFEDSA-N 1 0 387.959 3.875 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001262944750 1046441729 /nfs/dbraw/zinc/44/17/29/1046441729.db2.gz WPKRNBXANACJBR-UXHICEINSA-N 1 0 392.551 3.830 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C1CC1)[NH+](C)C ZINC001301280360 1046450713 /nfs/dbraw/zinc/45/07/13/1046450713.db2.gz ISXQBWJVMIRXII-QGZVFWFLSA-N 1 0 389.931 3.570 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(CC)n1CC1(SC)CC[NH+](C)CC1 ZINC001301349277 1046505812 /nfs/dbraw/zinc/50/58/12/1046505812.db2.gz MXCPQHRRYNBBQG-UHFFFAOYSA-N 1 0 399.608 3.861 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301380359 1046517061 /nfs/dbraw/zinc/51/70/61/1046517061.db2.gz DSDQBALOZQALRE-GOSISDBHSA-N 1 0 382.556 3.962 20 30 GHEDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc(C#N)c1Br ZINC001301480953 1046560370 /nfs/dbraw/zinc/56/03/70/1046560370.db2.gz MKAUYRFQTSEXOL-CZUORRHYSA-N 1 0 378.314 3.513 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001301539342 1046586714 /nfs/dbraw/zinc/58/67/14/1046586714.db2.gz QXSWGIYGYDKRJO-XUVXKRRUSA-N 1 0 389.588 3.695 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001301971630 1046769321 /nfs/dbraw/zinc/76/93/21/1046769321.db2.gz ONEJBWDFWPEKMP-MOPGFXCFSA-N 1 0 386.588 3.727 20 30 GHEDRO CC(C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001302563319 1046979023 /nfs/dbraw/zinc/97/90/23/1046979023.db2.gz RZROOOKDYZJUGA-CTNGQTDRSA-N 1 0 394.567 3.704 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H]21)[NH+](C)C ZINC001302811115 1047118249 /nfs/dbraw/zinc/11/82/49/1047118249.db2.gz DTVOLYURSQGWMD-PWRODBHTSA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302873104 1047158739 /nfs/dbraw/zinc/15/87/39/1047158739.db2.gz XWJVYOINJHGPLY-FQEVSTJZSA-N 1 0 386.588 3.585 20 30 GHEDRO N#CCCN(CC1CC1)c1nnc(-c2cccc(Cl)c2)n1CC[NH+]1CCCC1 ZINC001303013256 1047248348 /nfs/dbraw/zinc/24/83/48/1047248348.db2.gz AFHLOMKVGAIRGA-UHFFFAOYSA-N 1 0 398.942 3.824 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c(OC)c1 ZINC001303365660 1047372690 /nfs/dbraw/zinc/37/26/90/1047372690.db2.gz UJUNJVGRAYZPBV-UHFFFAOYSA-N 1 0 386.536 3.670 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)C[NH+]2CCCC2)o1 ZINC001304294889 1047636930 /nfs/dbraw/zinc/63/69/30/1047636930.db2.gz VURBMYMHWNBXHW-MRXNPFEDSA-N 1 0 384.528 3.707 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001279364295 1047781671 /nfs/dbraw/zinc/78/16/71/1047781671.db2.gz JSYOKNOVORXPAC-HSZRJFAPSA-N 1 0 387.527 3.959 20 30 GHEDRO N#Cc1c(N)sc(CN2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1Cl ZINC001279370171 1047783471 /nfs/dbraw/zinc/78/34/71/1047783471.db2.gz IPOFEFBHRRGVDL-LJQANCHMSA-N 1 0 389.956 3.672 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025897 1047840908 /nfs/dbraw/zinc/84/09/08/1047840908.db2.gz UZBDEIUENJHVKI-MSOLQXFVSA-N 1 0 392.551 3.926 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N[C@@H](C)c1ncc[nH]1 ZINC001279871788 1047975440 /nfs/dbraw/zinc/97/54/40/1047975440.db2.gz ZITUAMZGKLMOQJ-IRXDYDNUSA-N 1 0 378.586 3.755 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N[C@H](C)c1ncc[nH]1 ZINC001279871786 1047975722 /nfs/dbraw/zinc/97/57/22/1047975722.db2.gz ZITUAMZGKLMOQJ-IAGOWNOFSA-N 1 0 378.586 3.755 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N[C@H](C)c1ncc[nH]1 ZINC001279871790 1047975775 /nfs/dbraw/zinc/97/57/75/1047975775.db2.gz ZITUAMZGKLMOQJ-SJORKVTESA-N 1 0 378.586 3.755 20 30 GHEDRO N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2c(F)cccc2Cl)CCC1 ZINC001279952926 1048004798 /nfs/dbraw/zinc/00/47/98/1048004798.db2.gz URINVHPJEKUHNL-XLQHLMKVSA-N 1 0 375.875 3.546 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305450686 1048062768 /nfs/dbraw/zinc/06/27/68/1048062768.db2.gz OGUDOIRDBUAIIC-DOXZYTNZSA-N 1 0 390.532 3.598 20 30 GHEDRO N#CCC1CN(C(=O)C23CC([NH2+]CCCc4ccc(Cl)c(Cl)c4)(C2)C3)C1 ZINC001280053271 1048064538 /nfs/dbraw/zinc/06/45/38/1048064538.db2.gz BSULLHMTDRDPLN-UHFFFAOYSA-N 1 0 392.330 3.810 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1CCC[NH+]1CCCC1)c1ccccc1 ZINC001305656990 1048204766 /nfs/dbraw/zinc/20/47/66/1048204766.db2.gz QWYDXUPSEUIBDQ-TZIWHRDSSA-N 1 0 394.567 3.902 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001286302903 1048264778 /nfs/dbraw/zinc/26/47/78/1048264778.db2.gz HEDYLYWOJAIKOM-AZUAARDMSA-N 1 0 395.551 3.899 20 30 GHEDRO C#CCCCCn1c(-c2cccnc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286319406 1048271288 /nfs/dbraw/zinc/27/12/88/1048271288.db2.gz HVBKBRWVXQWXAW-UHFFFAOYSA-N 1 0 392.551 3.598 20 30 GHEDRO C#CCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286344216 1048280207 /nfs/dbraw/zinc/28/02/07/1048280207.db2.gz PUTZRTYPKCIJTQ-GOSISDBHSA-N 1 0 381.499 3.562 20 30 GHEDRO C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)[NH+](C)C ZINC001286363138 1048289999 /nfs/dbraw/zinc/28/99/99/1048289999.db2.gz OBOWPFRJVLVOLX-CYBMUJFWSA-N 1 0 387.940 3.833 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+](C(C)C)C(C)C ZINC001286367187 1048291321 /nfs/dbraw/zinc/29/13/21/1048291321.db2.gz HAKJVKMGDPINPK-UHFFFAOYSA-N 1 0 388.947 3.572 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+](CC)CC ZINC001286441256 1048323575 /nfs/dbraw/zinc/32/35/75/1048323575.db2.gz UGGVUYOHUKKZRH-UHFFFAOYSA-N 1 0 391.922 3.929 20 30 GHEDRO C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001286442839 1048325610 /nfs/dbraw/zinc/32/56/10/1048325610.db2.gz OJVBJIKPAIGBIS-GOSISDBHSA-N 1 0 392.551 3.862 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CCC[N@H+](C)Cc1ccccc1 ZINC001286522591 1048348637 /nfs/dbraw/zinc/34/86/37/1048348637.db2.gz LVPSMOILSZRAKG-XMMPIXPASA-N 1 0 393.579 3.991 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CC[NH+]1CCCCC1 ZINC001286567412 1048367556 /nfs/dbraw/zinc/36/75/56/1048367556.db2.gz VFXYYBLZCMGYOQ-UHFFFAOYSA-N 1 0 383.540 3.842 20 30 GHEDRO C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286637806 1048406635 /nfs/dbraw/zinc/40/66/35/1048406635.db2.gz NDLJJRMKNZHQBD-SJORKVTESA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCCCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286696877 1048457802 /nfs/dbraw/zinc/45/78/02/1048457802.db2.gz TXWACIJSOQANOL-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C=CCCCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286698143 1048459111 /nfs/dbraw/zinc/45/91/11/1048459111.db2.gz NIMHNEZWVHWYKK-SFHVURJKSA-N 1 0 394.567 3.925 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001286719470 1048474522 /nfs/dbraw/zinc/47/45/22/1048474522.db2.gz OHIZUGSJQSMXBM-FQEVSTJZSA-N 1 0 392.551 3.807 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CC[NH+](CCC)CC1 ZINC001286720054 1048476062 /nfs/dbraw/zinc/47/60/62/1048476062.db2.gz FRTSXGPFNDVMEF-UHFFFAOYSA-N 1 0 378.524 3.561 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286722898 1048479830 /nfs/dbraw/zinc/47/98/30/1048479830.db2.gz BTDRUJOIPLZKIQ-QZTJIDSGSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC[NH+]1CCSCC1 ZINC001286755554 1048508126 /nfs/dbraw/zinc/50/81/26/1048508126.db2.gz CZYREIBQRBONTD-UHFFFAOYSA-N 1 0 397.592 3.735 20 30 GHEDRO C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286778820 1048523030 /nfs/dbraw/zinc/52/30/30/1048523030.db2.gz JRDCWZHEJGEHGK-RTBURBONSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286800144 1048527885 /nfs/dbraw/zinc/52/78/85/1048527885.db2.gz GYCWIFRLIILYMB-ZGXWSNOMSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286832100 1048539970 /nfs/dbraw/zinc/53/99/70/1048539970.db2.gz HSBJDAIYSPNNLN-LJQANCHMSA-N 1 0 389.613 3.920 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286960759 1048553853 /nfs/dbraw/zinc/55/38/53/1048553853.db2.gz IWZNOQLGHOAIST-CVEARBPZSA-N 1 0 398.942 3.679 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286960763 1048554312 /nfs/dbraw/zinc/55/43/12/1048554312.db2.gz IWZNOQLGHOAIST-HZPDHXFCSA-N 1 0 398.942 3.679 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001306366202 1048602808 /nfs/dbraw/zinc/60/28/08/1048602808.db2.gz DIXSFEVXIXLACO-SJORKVTESA-N 1 0 378.524 3.536 20 30 GHEDRO Cc1cc(C(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)ncc1C#N ZINC001287271398 1048697712 /nfs/dbraw/zinc/69/77/12/1048697712.db2.gz VMUYGFLRJYYKKC-UHFFFAOYSA-N 1 0 376.504 3.777 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001287441081 1048776655 /nfs/dbraw/zinc/77/66/55/1048776655.db2.gz POGCFVQBTLDJFF-UGKGYDQZSA-N 1 0 384.572 3.624 20 30 GHEDRO CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001287610145 1048847683 /nfs/dbraw/zinc/84/76/83/1048847683.db2.gz AROSUSOTTSXCCP-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001306792109 1048896549 /nfs/dbraw/zinc/89/65/49/1048896549.db2.gz ZAVYXPKZYLZQBO-LJQANCHMSA-N 1 0 392.507 3.949 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C(C)C ZINC001306924161 1048961873 /nfs/dbraw/zinc/96/18/73/1048961873.db2.gz BIQMKQHXTQYRHR-SFHVURJKSA-N 1 0 384.480 3.557 20 30 GHEDRO N#Cc1cc(F)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC001307073110 1049055210 /nfs/dbraw/zinc/05/52/10/1049055210.db2.gz QGFVKZUXLIZUCC-PXAZEXFGSA-N 1 0 378.289 3.913 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001288508440 1049118524 /nfs/dbraw/zinc/11/85/24/1049118524.db2.gz SSRZIYOWZZMNKL-ICSRJNTNSA-N 1 0 394.567 3.979 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C)C[NH+]1CCCCC1 ZINC001288697677 1049202476 /nfs/dbraw/zinc/20/24/76/1049202476.db2.gz DQTGVQCZPYHFMR-OALUTQOASA-N 1 0 392.551 3.927 20 30 GHEDRO CCOCCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)C(=O)OC ZINC001307477808 1049316961 /nfs/dbraw/zinc/31/69/61/1049316961.db2.gz OAFQMNHWLRDAOQ-MRXNPFEDSA-N 1 0 385.426 3.595 20 30 GHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC001307500402 1049341558 /nfs/dbraw/zinc/34/15/58/1049341558.db2.gz RMPJERZLYZJVQY-FCHUYYIVSA-N 1 0 377.488 3.541 20 30 GHEDRO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]2CCCC[C@H]12 ZINC001307604123 1049442402 /nfs/dbraw/zinc/44/24/02/1049442402.db2.gz QQPUFFHTRQOQSC-LZQZEXGQSA-N 1 0 378.438 3.684 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001289585241 1049549925 /nfs/dbraw/zinc/54/99/25/1049549925.db2.gz RNPZIZGSUIWRQC-PGRDOPGGSA-N 1 0 398.555 3.953 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[C@@H](C)[C@@H]1OC ZINC001307746966 1049559656 /nfs/dbraw/zinc/55/96/56/1049559656.db2.gz VXZPEYCUGNUHQR-QMVDBQMESA-N 1 0 377.573 3.735 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2(C)C)c1 ZINC001307992945 1049744826 /nfs/dbraw/zinc/74/48/26/1049744826.db2.gz UCTPWENDMGLQFC-HXUWFJFHSA-N 1 0 393.462 3.723 20 30 GHEDRO COc1ccccc1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC001308028840 1049778943 /nfs/dbraw/zinc/77/89/43/1049778943.db2.gz ZTQZMWHIUDFZPB-NHCUHLMSSA-N 1 0 394.515 3.771 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001308039417 1049789941 /nfs/dbraw/zinc/78/99/41/1049789941.db2.gz PISKDFYIJVVGMS-FHLLLWTNSA-N 1 0 389.584 3.834 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001308039419 1049790779 /nfs/dbraw/zinc/79/07/79/1049790779.db2.gz PISKDFYIJVVGMS-XPECPCTNSA-N 1 0 389.584 3.834 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC001308040907 1049791803 /nfs/dbraw/zinc/79/18/03/1049791803.db2.gz RTYBGPABRBXELG-RTWAWAEBSA-N 1 0 390.531 3.701 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC001308105320 1049851404 /nfs/dbraw/zinc/85/14/04/1049851404.db2.gz LLAMZEXCCUSJNS-CQSZACIVSA-N 1 0 388.924 3.870 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](CC#N)c1ccccc1)c1cccc(OC)c1 ZINC001290521177 1049869517 /nfs/dbraw/zinc/86/95/17/1049869517.db2.gz SJUYMAYTEIEIGZ-YADHBBJMSA-N 1 0 379.504 3.892 20 30 GHEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001308134430 1049877255 /nfs/dbraw/zinc/87/72/55/1049877255.db2.gz AVFQHFWLJSNGIS-RTBURBONSA-N 1 0 396.453 3.598 20 30 GHEDRO COc1cccc(O[C@@H](C)C[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001308285939 1049938299 /nfs/dbraw/zinc/93/82/99/1049938299.db2.gz ROFZSVKQVSVOEX-ZDUSSCGKSA-N 1 0 375.266 3.886 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001308611321 1050031614 /nfs/dbraw/zinc/03/16/14/1050031614.db2.gz GIOMJIXNGHFRGL-IEBWSBKVSA-N 1 0 399.535 3.574 20 30 GHEDRO C[C@H]1C[C@@H](C[NH+]2CCN(c3ccccc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001308660367 1050051405 /nfs/dbraw/zinc/05/14/05/1050051405.db2.gz MCKBYWQGWGEXKB-OALUTQOASA-N 1 0 398.551 3.716 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(F)cc1 ZINC001327532598 1050208182 /nfs/dbraw/zinc/20/81/82/1050208182.db2.gz WWVMKEUZEKXSED-HKUYNNGSSA-N 1 0 375.394 3.834 20 30 GHEDRO Cc1ncc(CO)c(/C=N\C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1O ZINC001327709043 1050259334 /nfs/dbraw/zinc/25/93/34/1050259334.db2.gz PLGQZRLQCMQDHS-NGVNATGVSA-N 1 0 379.504 3.593 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC001309016410 1050275773 /nfs/dbraw/zinc/27/57/73/1050275773.db2.gz KMWMWLSUFNBYJV-CQSZACIVSA-N 1 0 391.562 3.624 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)cc1 ZINC001327862134 1050302365 /nfs/dbraw/zinc/30/23/65/1050302365.db2.gz ABQWNOZRPCKNIW-ZDXQCDESSA-N 1 0 376.500 3.894 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)s1 ZINC001328425864 1050505200 /nfs/dbraw/zinc/50/52/00/1050505200.db2.gz XBRIPZLURATHBZ-XJKSGUPXSA-N 1 0 385.455 3.775 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001310371343 1051314007 /nfs/dbraw/zinc/31/40/07/1051314007.db2.gz IMVWZWYCFWSEMC-HOTGVXAUSA-N 1 0 375.488 3.716 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001310515008 1051409638 /nfs/dbraw/zinc/40/96/38/1051409638.db2.gz IQOVBVPQBNHLMV-NRFANRHFSA-N 1 0 392.503 3.941 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001310515481 1051409969 /nfs/dbraw/zinc/40/99/69/1051409969.db2.gz XIIOYBKRFBFSBG-HXUWFJFHSA-N 1 0 380.492 3.845 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ncc(C(F)(F)F)s1)C(C)C ZINC001310570385 1051456561 /nfs/dbraw/zinc/45/65/61/1051456561.db2.gz QLTAAAMHRHUBHZ-GFCCVEGCSA-N 1 0 376.448 3.982 20 30 GHEDRO O=C(NCC[NH+]1CC=CC1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001332158276 1051469592 /nfs/dbraw/zinc/46/95/92/1051469592.db2.gz XIDRFOWKCCIJMJ-UHFFFAOYSA-N 1 0 399.310 3.969 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](c2cccc3ccccc32)C(F)(F)F)CC1 ZINC001310590918 1051470491 /nfs/dbraw/zinc/47/04/91/1051470491.db2.gz SIPCFTYUIVHIMO-LJQANCHMSA-N 1 0 389.421 3.840 20 30 GHEDRO Cc1cc(NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c(C#N)cc1N(C)C ZINC001310837791 1051634749 /nfs/dbraw/zinc/63/47/49/1051634749.db2.gz DEJIDPXWNWWDFQ-UHFFFAOYSA-N 1 0 383.540 3.805 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(Nc2cccc(SC)c2)cn1 ZINC001310977881 1051747873 /nfs/dbraw/zinc/74/78/73/1051747873.db2.gz OKVTYMYDHJDBCD-UHFFFAOYSA-N 1 0 383.521 3.624 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@H]1C(F)(F)F ZINC001333724829 1051821352 /nfs/dbraw/zinc/82/13/52/1051821352.db2.gz SZLJEOZBVBXDIN-USXIJHARSA-N 1 0 384.398 3.589 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)c1ccc(F)c(F)c1 ZINC001333813114 1051846661 /nfs/dbraw/zinc/84/66/61/1051846661.db2.gz DIZGQEFVNFZOKA-BOSXTWCSSA-N 1 0 377.479 3.954 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[NH+](CC)CC)cc1 ZINC001311215293 1051946391 /nfs/dbraw/zinc/94/63/91/1051946391.db2.gz HSCYPNANQBFWKX-IAGOWNOFSA-N 1 0 384.446 3.776 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001311344734 1052040866 /nfs/dbraw/zinc/04/08/66/1052040866.db2.gz RRCDNAUOWGNGBP-HXUWFJFHSA-N 1 0 394.519 3.999 20 30 GHEDRO N#C[C@@]1(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC12CCCC2 ZINC001335229351 1052055736 /nfs/dbraw/zinc/05/57/36/1052055736.db2.gz WGWPAKUVANPRBE-MDAIXWLXSA-N 1 0 377.532 3.877 20 30 GHEDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC001335315547 1052071581 /nfs/dbraw/zinc/07/15/81/1052071581.db2.gz YUMFGDXLFMFMFS-KKSFZXQISA-N 1 0 380.492 3.816 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@H]1OCCc2sccc21)C(C)C ZINC001311388034 1052079767 /nfs/dbraw/zinc/07/97/67/1052079767.db2.gz LMQNTXFPSKBTHT-YVWKXTFCSA-N 1 0 391.581 3.748 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC001335969490 1052209803 /nfs/dbraw/zinc/20/98/03/1052209803.db2.gz ZAHLFTHVHKUEDH-QGZVFWFLSA-N 1 0 391.471 3.646 20 30 GHEDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001337160980 1052413182 /nfs/dbraw/zinc/41/31/82/1052413182.db2.gz YAOJCUBOBGGGTO-MRXNPFEDSA-N 1 0 385.895 3.769 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1C ZINC001337472500 1052480703 /nfs/dbraw/zinc/48/07/03/1052480703.db2.gz PGTJZBFUKDUHTF-UHFFFAOYSA-N 1 0 399.926 3.737 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC001312021311 1052533283 /nfs/dbraw/zinc/53/32/83/1052533283.db2.gz LTIKECQQYNVWKR-QIJUGHKUSA-N 1 0 378.520 3.766 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)NCC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC001312818065 1052881160 /nfs/dbraw/zinc/88/11/60/1052881160.db2.gz UWNHVTDBRHWDSJ-INIZCTEOSA-N 1 0 384.446 3.937 20 30 GHEDRO C[C@@H]1c2sccc2CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312948644 1052918594 /nfs/dbraw/zinc/91/85/94/1052918594.db2.gz WRQFZRIUTZIYLE-MRXNPFEDSA-N 1 0 394.544 3.913 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC001313375744 1053036550 /nfs/dbraw/zinc/03/65/50/1053036550.db2.gz PGLPCELGTVVYSU-AZXFEVOCSA-N 1 0 380.536 3.875 20 30 GHEDRO CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001313626560 1053148476 /nfs/dbraw/zinc/14/84/76/1053148476.db2.gz MXUKCSKYWNZJRK-LJQANCHMSA-N 1 0 392.551 3.783 20 30 GHEDRO C=C(C)Cn1c(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nnc1[C@@]1(C)CCC=CO1 ZINC001342707283 1053312311 /nfs/dbraw/zinc/31/23/11/1053312311.db2.gz MQIJQYAQVNUVKG-PGRDOPGGSA-N 1 0 394.523 3.504 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001342790555 1053356530 /nfs/dbraw/zinc/35/65/30/1053356530.db2.gz IQIYQLMOWPLACE-INIZCTEOSA-N 1 0 375.467 3.545 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001342828295 1053377836 /nfs/dbraw/zinc/37/78/36/1053377836.db2.gz UATWGPGVHAMFEL-NRFANRHFSA-N 1 0 394.567 3.739 20 30 GHEDRO C=C(C)Cn1c(-c2ncc(C)o2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001342851090 1053389219 /nfs/dbraw/zinc/38/92/19/1053389219.db2.gz BDARKMXRAAHUBR-UHFFFAOYSA-N 1 0 386.544 3.766 20 30 GHEDRO CN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314787515 1053611515 /nfs/dbraw/zinc/61/15/15/1053611515.db2.gz MGMVJDVIOONMEA-FQEVSTJZSA-N 1 0 392.551 3.783 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 ZINC001343289696 1053680025 /nfs/dbraw/zinc/68/00/25/1053680025.db2.gz UFNUZDLQSBARSW-OAQYLSRUSA-N 1 0 387.483 3.984 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)cc2C)nnc1N1CCN(c2ccccn2)CC1 ZINC001343377840 1053736318 /nfs/dbraw/zinc/73/63/18/1053736318.db2.gz NMTIXJDBACDONN-UHFFFAOYSA-N 1 0 388.519 3.860 20 30 GHEDRO N#C[C@H]1CC[C@@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC001343401948 1053751088 /nfs/dbraw/zinc/75/10/88/1053751088.db2.gz WPIFKUNYBABRIJ-WJFTUGDTSA-N 1 0 381.501 3.594 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343456311 1053782187 /nfs/dbraw/zinc/78/21/87/1053782187.db2.gz DLPDCKGDHXVGFL-OKYOBFRVSA-N 1 0 389.588 3.897 20 30 GHEDRO [NH3+]C1CC2(C1)CC(NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C2 ZINC001343531204 1053846005 /nfs/dbraw/zinc/84/60/05/1053846005.db2.gz GTIIOPPWEPJEKS-UHFFFAOYSA-N 1 0 398.322 3.976 20 30 GHEDRO C=C[C@@H](O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CC(=C)C ZINC001343535179 1053852014 /nfs/dbraw/zinc/85/20/14/1053852014.db2.gz AHPUVZWITCZQEP-UYAOXDASSA-N 1 0 387.572 3.555 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CCCCCC3)n2CCC[NH+]2CCCC2)cc1 ZINC001316531457 1054217586 /nfs/dbraw/zinc/21/75/86/1054217586.db2.gz UHHRLSHTGXGHRK-UHFFFAOYSA-N 1 0 378.524 3.683 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[NH+](C(C)(C)C)CC2)c1=S ZINC001317895158 1054294554 /nfs/dbraw/zinc/29/45/54/1054294554.db2.gz QCHYNZKZSXJUPW-UHFFFAOYSA-N 1 0 389.544 3.780 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC(C)C)CC1 ZINC001344490862 1054517120 /nfs/dbraw/zinc/51/71/20/1054517120.db2.gz WQCAJYJVSZFUSD-QGZVFWFLSA-N 1 0 397.489 3.525 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC001318413775 1054622107 /nfs/dbraw/zinc/62/21/07/1054622107.db2.gz NEBYOIXWIQLHJE-UHFFFAOYSA-N 1 0 375.259 3.738 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001318771834 1054862854 /nfs/dbraw/zinc/86/28/54/1054862854.db2.gz RTHOHRRFSSQBNC-MOPGFXCFSA-N 1 0 382.533 3.959 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(C(F)F)c1 ZINC001353930683 1056143450 /nfs/dbraw/zinc/14/34/50/1056143450.db2.gz ZSMKHOCELVSPTP-UHFFFAOYSA-N 1 0 375.394 3.839 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)[C@@H](C)C1 ZINC001353940260 1056156622 /nfs/dbraw/zinc/15/66/22/1056156622.db2.gz SGRAJSROGYGUMZ-ICSRJNTNSA-N 1 0 394.567 3.585 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001321729666 1056376716 /nfs/dbraw/zinc/37/67/16/1056376716.db2.gz OUACMZIETHBLSL-MOPGFXCFSA-N 1 0 386.858 3.595 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([NH+](CC)CC)CC2)cc1 ZINC001321959178 1056459598 /nfs/dbraw/zinc/45/95/98/1056459598.db2.gz ZKKBAOUYJXBBKZ-UHFFFAOYSA-N 1 0 398.551 3.839 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001300602918 1056611483 /nfs/dbraw/zinc/61/14/83/1056611483.db2.gz VNGBLNZJZXGCBG-PKOBYXMFSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCC[N@H+]1CCC ZINC001300616478 1056672345 /nfs/dbraw/zinc/67/23/45/1056672345.db2.gz IDHKLYLUNGFOLK-HXUWFJFHSA-N 1 0 379.552 3.978 20 30 GHEDRO C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300634201 1056736146 /nfs/dbraw/zinc/73/61/46/1056736146.db2.gz WYVKQMNELQPOMV-QFIPXVFZSA-N 1 0 393.579 3.643 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC001322600358 1056765748 /nfs/dbraw/zinc/76/57/48/1056765748.db2.gz JVPZSXHJWCTZLZ-UHFFFAOYSA-N 1 0 386.503 3.693 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](C(C)(C)C)CC1 ZINC001322761603 1056838958 /nfs/dbraw/zinc/83/89/58/1056838958.db2.gz DRDLLRUHYVEQOW-OAHLLOKOSA-N 1 0 388.581 3.632 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001322888932 1056879547 /nfs/dbraw/zinc/87/95/47/1056879547.db2.gz IJBRZKMFFYSEPH-SFTDATJTSA-N 1 0 383.467 3.635 20 30 GHEDRO Brc1cnc(N=NC2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000848419733 1057077363 /nfs/dbraw/zinc/07/73/63/1057077363.db2.gz DMVCZCGNJDIHKK-UHFFFAOYSA-N 1 0 386.297 3.836 20 30 GHEDRO C=C(C)Cn1c(-c2nccs2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001355976104 1057340551 /nfs/dbraw/zinc/34/05/51/1057340551.db2.gz KKFZFALCCXBCFF-UHFFFAOYSA-N 1 0 386.569 3.823 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001356108079 1057391765 /nfs/dbraw/zinc/39/17/65/1057391765.db2.gz SSGOZKGPJRFNPV-FQEVSTJZSA-N 1 0 384.572 3.793 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccccc1Cn1cncn1 ZINC000848989367 1057493655 /nfs/dbraw/zinc/49/36/55/1057493655.db2.gz DGVUCAYKLJUGPD-UHFFFAOYSA-N 1 0 390.535 3.670 20 30 GHEDRO COc1cccc2c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)coc21 ZINC001357129960 1057610928 /nfs/dbraw/zinc/61/09/28/1057610928.db2.gz RDJMCDRHTQZHCL-UHFFFAOYSA-N 1 0 377.444 3.517 20 30 GHEDRO CC[C@@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001441233771 1058730230 /nfs/dbraw/zinc/73/02/30/1058730230.db2.gz AOYGJICSTCSXRC-MBSDFSHPSA-N 1 0 375.516 3.690 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001338778756 1058779548 /nfs/dbraw/zinc/77/95/48/1058779548.db2.gz NZTYKMGYIMWRSO-UHFFFAOYSA-N 1 0 381.615 3.643 20 30 GHEDRO C=CCn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CCCCCC1 ZINC001338993606 1058916987 /nfs/dbraw/zinc/91/69/87/1058916987.db2.gz SRNYGLBTVYOKLB-UHFFFAOYSA-N 1 0 386.544 3.514 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)n([C@H]2CCCOC2)c1C)C(C)C ZINC001443422035 1059126484 /nfs/dbraw/zinc/12/64/84/1059126484.db2.gz DXVLEDDTRSEJAR-RBBKRZOGSA-N 1 0 387.568 3.885 20 30 GHEDRO C=C[C@H](CC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC001443585257 1059153890 /nfs/dbraw/zinc/15/38/90/1059153890.db2.gz NTHWYHBQALDWDK-HSZRJFAPSA-N 1 0 391.559 3.623 20 30 GHEDRO Cn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001339866518 1059525712 /nfs/dbraw/zinc/52/57/12/1059525712.db2.gz MJINPRPHBSLDFR-OAQYLSRUSA-N 1 0 398.514 3.587 20 30 GHEDRO N#CCc1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC001339894791 1059542911 /nfs/dbraw/zinc/54/29/11/1059542911.db2.gz ZXRHCVBHJBFNKN-UHFFFAOYSA-N 1 0 383.517 3.582 20 30 GHEDRO C=CCn1c(-c2scnc2CC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001339919245 1059556824 /nfs/dbraw/zinc/55/68/24/1059556824.db2.gz XSUDMTWJNPWZPS-CRAIPNDOSA-N 1 0 398.580 3.603 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340133420 1059715540 /nfs/dbraw/zinc/71/55/40/1059715540.db2.gz IRSJXQQBDJVASC-UHFFFAOYSA-N 1 0 381.615 3.643 20 30 GHEDRO C=CCn1c(-c2ccc(C)nc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001340150053 1059728618 /nfs/dbraw/zinc/72/86/18/1059728618.db2.gz WMRJICFHSAGFSU-UHFFFAOYSA-N 1 0 380.540 3.598 20 30 GHEDRO CCN(C(=O)/C=C\C(=O)c1ccc(C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001447364868 1059955625 /nfs/dbraw/zinc/95/56/25/1059955625.db2.gz ZRDZQYIJJVKPPJ-KCNXZKISSA-N 1 0 376.500 3.857 20 30 GHEDRO CC[C@H]1CN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001447502895 1059974120 /nfs/dbraw/zinc/97/41/20/1059974120.db2.gz ZHPZXTONGXTXCC-XXBNENTESA-N 1 0 375.516 3.860 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001340569667 1059978365 /nfs/dbraw/zinc/97/83/65/1059978365.db2.gz CYMJRVFSGSFRPS-QHCPKHFHSA-N 1 0 397.567 3.645 20 30 GHEDRO C=CCn1c(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nnc1C(C)(C)C#N ZINC001340593573 1059989129 /nfs/dbraw/zinc/98/91/29/1059989129.db2.gz KALFDZWZYYXZMA-GOSISDBHSA-N 1 0 384.572 3.746 20 30 GHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340702845 1060061676 /nfs/dbraw/zinc/06/16/76/1060061676.db2.gz TYXRWUURROAGGE-UHFFFAOYSA-N 1 0 398.511 3.658 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001340777213 1060116365 /nfs/dbraw/zinc/11/63/65/1060116365.db2.gz KKRNQIGZHIEJQO-QUCCMNQESA-N 1 0 399.583 3.797 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C ZINC001341228156 1060515201 /nfs/dbraw/zinc/51/52/01/1060515201.db2.gz OQDWMNHYNIAKGZ-UHFFFAOYSA-N 1 0 394.567 3.745 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc(C(F)(F)F)ccc1N(C)CCCC ZINC001450483178 1060601035 /nfs/dbraw/zinc/60/10/35/1060601035.db2.gz DRJBTCUXLRSCEF-UHFFFAOYSA-N 1 0 383.458 3.627 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(CCCC#N)n2CCc2ccccc2)CC1 ZINC001341549031 1060740325 /nfs/dbraw/zinc/74/03/25/1060740325.db2.gz TYRJZSDCWFNIDH-UHFFFAOYSA-N 1 0 394.567 3.678 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[NH+](Cc3cccc4ccccc43)CC2)n1C ZINC001341756831 1060865592 /nfs/dbraw/zinc/86/55/92/1060865592.db2.gz YKQRPJCIECSUNA-SFHVURJKSA-N 1 0 388.519 3.698 20 30 GHEDRO C=C(C)Cn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CCC=C(C)C1 ZINC001341892278 1060940698 /nfs/dbraw/zinc/94/06/98/1060940698.db2.gz DIDSYYVROUNGMH-UHFFFAOYSA-N 1 0 398.555 3.680 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3ocnc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001342200899 1061128889 /nfs/dbraw/zinc/12/88/89/1061128889.db2.gz IWDAJAFDQSCLQF-QGZVFWFLSA-N 1 0 394.523 3.831 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342224958 1061152571 /nfs/dbraw/zinc/15/25/71/1061152571.db2.gz JZMQWVBVTKIKEK-IBGZPJMESA-N 1 0 394.567 3.856 20 30 GHEDRO Cc1nc(SCC(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(C#N)c(C)c1C ZINC001454121628 1061612774 /nfs/dbraw/zinc/61/27/74/1061612774.db2.gz IMJXLQAUJXPPTK-AUUYWEPGSA-N 1 0 388.581 3.549 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc1 ZINC001454263069 1061676139 /nfs/dbraw/zinc/67/61/39/1061676139.db2.gz YABDGOHLROZGMQ-VAWYXSNFSA-N 1 0 388.511 3.740 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001346717993 1061819938 /nfs/dbraw/zinc/81/99/38/1061819938.db2.gz IOONCEFXSIMDRR-UHFFFAOYSA-N 1 0 394.567 3.988 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001454539508 1061822808 /nfs/dbraw/zinc/82/28/08/1061822808.db2.gz LUVMPESJGXLDGH-SFHVURJKSA-N 1 0 393.409 3.718 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3Sc3ccccc3C#N)CC[C@H]21 ZINC001454842366 1061944495 /nfs/dbraw/zinc/94/44/95/1061944495.db2.gz DUDLBGAQOPAZSS-PKOBYXMFSA-N 1 0 377.513 3.876 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c[nH]c2cccc(C#N)c21 ZINC001347103017 1062119047 /nfs/dbraw/zinc/11/90/47/1062119047.db2.gz NWOBJKOKTQTVNX-UHFFFAOYSA-N 1 0 387.487 3.813 20 30 GHEDRO Cc1cc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc(C)c1C#N ZINC001434980320 1062181091 /nfs/dbraw/zinc/18/10/91/1062181091.db2.gz PXIITHKHRLRWAU-QGZVFWFLSA-N 1 0 394.494 3.557 20 30 GHEDRO Cc1cc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc(C)c1C#N ZINC001434980319 1062182165 /nfs/dbraw/zinc/18/21/65/1062182165.db2.gz PXIITHKHRLRWAU-KRWDZBQOSA-N 1 0 394.494 3.557 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001435062775 1062261208 /nfs/dbraw/zinc/26/12/08/1062261208.db2.gz IFGDPPRDBSBEAB-UHFFFAOYSA-N 1 0 385.458 3.586 20 30 GHEDRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2cc(C#N)ccn2)cc1 ZINC001455812766 1062305281 /nfs/dbraw/zinc/30/52/81/1062305281.db2.gz YTNYEPMKFMLHQE-UHFFFAOYSA-N 1 0 386.455 3.716 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1CC1 ZINC001348109398 1062922040 /nfs/dbraw/zinc/92/20/40/1062922040.db2.gz MFVKANAGCZRDQG-RTBURBONSA-N 1 0 392.551 3.806 20 30 GHEDRO C=CC[C@H](C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC001437386493 1063843065 /nfs/dbraw/zinc/84/30/65/1063843065.db2.gz XREZJZHTYJJZRM-HJOGWXRNSA-N 1 0 390.527 3.848 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNc2cc(F)c(C#N)cc2[N+](=O)[O-])CCOCC1 ZINC001458582058 1063900025 /nfs/dbraw/zinc/90/00/25/1063900025.db2.gz REUDJTRJAYBZBM-UHFFFAOYSA-N 1 0 398.438 3.699 20 30 GHEDRO C#CC[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC001459393417 1064084852 /nfs/dbraw/zinc/08/48/52/1064084852.db2.gz ROUAQDXQJDKJBS-QGZVFWFLSA-N 1 0 384.289 3.596 20 30 GHEDRO C=CCCCCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC001459486121 1064111415 /nfs/dbraw/zinc/11/14/15/1064111415.db2.gz RBJIXCTYJCNQCV-UHFFFAOYSA-N 1 0 395.341 3.719 20 30 GHEDRO N#CC1(C[C@H](O)CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CCC1 ZINC001459770172 1064208809 /nfs/dbraw/zinc/20/88/09/1064208809.db2.gz HHWIESWPCAGQKO-QFIPXVFZSA-N 1 0 381.564 3.952 20 30 GHEDRO Cc1ccc(N(C)[C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)cc1 ZINC001459820057 1064231484 /nfs/dbraw/zinc/23/14/84/1064231484.db2.gz QADJUOYVFWUTRA-NRFANRHFSA-N 1 0 376.504 3.796 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccccc1 ZINC001459848803 1064241677 /nfs/dbraw/zinc/24/16/77/1064241677.db2.gz JNPCBTFDYJAXAV-KRWDZBQOSA-N 1 0 396.512 3.706 20 30 GHEDRO N#CC1(c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CC2CC2)CCCCC1 ZINC001351360650 1064404833 /nfs/dbraw/zinc/40/48/33/1064404833.db2.gz XUSMHUQECMRWMF-UHFFFAOYSA-N 1 0 396.583 3.868 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@H](COCC)C1 ZINC001351534871 1064504590 /nfs/dbraw/zinc/50/45/90/1064504590.db2.gz OIZDGFLVFYENHB-AZUAARDMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@](C)(CC)C1 ZINC001352149619 1064885574 /nfs/dbraw/zinc/88/55/74/1064885574.db2.gz CHJHSFLKONTNEX-UGKGYDQZSA-N 1 0 387.572 3.797 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)s1 ZINC001465060858 1065360987 /nfs/dbraw/zinc/36/09/87/1065360987.db2.gz CZIJUZFWKBSIHH-HZPDHXFCSA-N 1 0 379.574 3.999 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 ZINC000847515244 1065504530 /nfs/dbraw/zinc/50/45/30/1065504530.db2.gz OBVVHRURLKQOCS-UHFFFAOYSA-N 1 0 394.437 3.611 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)CC)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300270762 1065895731 /nfs/dbraw/zinc/89/57/31/1065895731.db2.gz FAUDESISEWBEGG-SVFBPWRDSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+](CC)C1CC1 ZINC001300287086 1065926998 /nfs/dbraw/zinc/92/69/98/1065926998.db2.gz TYMPAOCPMXIREZ-AWEZNQCLSA-N 1 0 389.906 3.680 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC001353430270 1065947684 /nfs/dbraw/zinc/94/76/84/1065947684.db2.gz PKEYIBYAEVLGNV-QFIPXVFZSA-N 1 0 376.504 3.927 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001466050244 1065967081 /nfs/dbraw/zinc/96/70/81/1065967081.db2.gz FFBDNUSVRDKVFN-UHFFFAOYSA-N 1 0 380.492 3.502 20 30 GHEDRO CCCCCCCCCNC(=S)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001200374370 1066013608 /nfs/dbraw/zinc/01/36/08/1066013608.db2.gz MPDKYIZULGIUEI-UHFFFAOYSA-N 1 0 391.629 3.920 20 30 GHEDRO N#CC1(COC(=O)C[C@H]2CSCCS2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748674 1066029531 /nfs/dbraw/zinc/02/95/31/1066029531.db2.gz FXTVVFHVJXTIPM-SFHVURJKSA-N 1 0 390.574 3.574 20 30 GHEDRO CCCCn1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000847748010 1066032510 /nfs/dbraw/zinc/03/25/10/1066032510.db2.gz VYKFBXIGBUYPNC-UHFFFAOYSA-N 1 0 394.519 3.954 20 30 GHEDRO C[C@H]1CCC[C@H](OCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847749469 1066035396 /nfs/dbraw/zinc/03/53/96/1066035396.db2.gz QTLQFTSKVFDTFT-FPOVZHCZSA-N 1 0 384.520 3.931 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)(F)F ZINC001466342886 1066102516 /nfs/dbraw/zinc/10/25/16/1066102516.db2.gz FTDOCAXJZVFEFL-GJZGRUSLSA-N 1 0 382.386 3.595 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC001466353923 1066109570 /nfs/dbraw/zinc/10/95/70/1066109570.db2.gz BPSBZIQSGPAGDE-DKZVUGQWSA-N 1 0 395.453 3.867 20 30 GHEDRO N#Cc1sc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)nc1Cl ZINC001466805016 1066325664 /nfs/dbraw/zinc/32/56/64/1066325664.db2.gz VMOFDPSRJOTKMT-UHFFFAOYSA-N 1 0 381.933 3.978 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[NH2+]C(CC)CC ZINC001466816866 1066333073 /nfs/dbraw/zinc/33/30/73/1066333073.db2.gz TTWKGHVKQFTITQ-UHFFFAOYSA-N 1 0 384.318 3.914 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300439974 1066337395 /nfs/dbraw/zinc/33/73/95/1066337395.db2.gz NVICHRZVJFQCIQ-SFHVURJKSA-N 1 0 385.943 3.788 20 30 GHEDRO CCCN(C(=O)COc1ccccc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357959574 1067347019 /nfs/dbraw/zinc/34/70/19/1067347019.db2.gz LGLROMVDSJKJBL-QFIPXVFZSA-N 1 0 391.515 3.840 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC001467582621 1067370730 /nfs/dbraw/zinc/37/07/30/1067370730.db2.gz NXFJSVNQLNAGIH-NEWSRXKRSA-N 1 0 389.540 3.741 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001358878318 1067591153 /nfs/dbraw/zinc/59/11/53/1067591153.db2.gz VANFZXOYPAHXBV-MSOLQXFVSA-N 1 0 391.519 3.881 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCC[NH+]1CCCCC1 ZINC001358879688 1067592622 /nfs/dbraw/zinc/59/26/22/1067592622.db2.gz WIIFJKXAUJOUED-KRWDZBQOSA-N 1 0 385.943 3.932 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CC[NH+](C(C)C)C(C)C ZINC001358880720 1067593078 /nfs/dbraw/zinc/59/30/78/1067593078.db2.gz RNRVWMYPSQAZSJ-GOSISDBHSA-N 1 0 383.540 3.530 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001358881508 1067593866 /nfs/dbraw/zinc/59/38/66/1067593866.db2.gz HTMFVMQXWKHVJF-PMACEKPBSA-N 1 0 379.552 3.771 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001358887264 1067597286 /nfs/dbraw/zinc/59/72/86/1067597286.db2.gz SMRQVRXPFBAOQJ-RXVVDRJESA-N 1 0 377.536 3.841 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001358893352 1067600323 /nfs/dbraw/zinc/60/03/23/1067600323.db2.gz SJEYDRRZAIARPR-RTWAWAEBSA-N 1 0 393.579 3.900 20 30 GHEDRO C#CCCCCn1c(CC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001358913459 1067610383 /nfs/dbraw/zinc/61/03/83/1067610383.db2.gz OMFYXSMOQKIUPB-LJQANCHMSA-N 1 0 385.600 3.981 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001358941939 1067622619 /nfs/dbraw/zinc/62/26/19/1067622619.db2.gz CJWRTMCAVQDHKF-SFHVURJKSA-N 1 0 391.519 3.881 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358944998 1067625216 /nfs/dbraw/zinc/62/52/16/1067625216.db2.gz QFUIQUBAGKAKIP-GOSISDBHSA-N 1 0 383.515 3.808 20 30 GHEDRO C#CCN(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001358947960 1067626688 /nfs/dbraw/zinc/62/66/88/1067626688.db2.gz PNBMLRCENHSQKK-NRFANRHFSA-N 1 0 379.552 3.870 20 30 GHEDRO C#CCN(CC#C)c1nnc(C2CCCC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001358977182 1067632923 /nfs/dbraw/zinc/63/29/23/1067632923.db2.gz GINNXJWJWYECMN-FQEVSTJZSA-N 1 0 381.568 3.663 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001359071694 1067672373 /nfs/dbraw/zinc/67/23/73/1067672373.db2.gz ZJBVKYPASKISFP-XMMPIXPASA-N 1 0 393.579 3.969 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC[N@@H+](CC)CCC ZINC001359071761 1067672520 /nfs/dbraw/zinc/67/25/20/1067672520.db2.gz BPVUVSQWIADDNE-HSZRJFAPSA-N 1 0 397.542 3.732 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359120053 1067696636 /nfs/dbraw/zinc/69/66/36/1067696636.db2.gz DHAYKLRGUGVSJY-KRWDZBQOSA-N 1 0 383.515 3.971 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001359162343 1067717804 /nfs/dbraw/zinc/71/78/04/1067717804.db2.gz NDUZSCXMYHTHQO-OAHLLOKOSA-N 1 0 386.931 3.633 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359163139 1067719048 /nfs/dbraw/zinc/71/90/48/1067719048.db2.gz SESGMTCZWLQXEN-OAQYLSRUSA-N 1 0 388.519 3.799 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001359168872 1067722590 /nfs/dbraw/zinc/72/25/90/1067722590.db2.gz MATGUSHVGGFVPO-UHFFFAOYSA-N 1 0 399.514 3.637 20 30 GHEDRO CCOCCC[NH+]=C(NCc1cscc1C)NCc1ccc(OC)cc1 ZINC000849109221 1067733526 /nfs/dbraw/zinc/73/35/26/1067733526.db2.gz BSMWBQXVKLMQRB-UHFFFAOYSA-N 1 0 375.538 3.727 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001359178094 1067737439 /nfs/dbraw/zinc/73/74/39/1067737439.db2.gz ITBKWXSLZYHNAI-VQTJNVASSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CC1CCN(c2nnc(CC3CC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359180546 1067741992 /nfs/dbraw/zinc/74/19/92/1067741992.db2.gz JHORZJDDBAGBFE-NRFANRHFSA-N 1 0 379.552 3.936 20 30 GHEDRO C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001359200691 1067767259 /nfs/dbraw/zinc/76/72/59/1067767259.db2.gz NNKVRGFPIOFUAD-SFHVURJKSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359203723 1067774183 /nfs/dbraw/zinc/77/41/83/1067774183.db2.gz URXWNVWIZSGBRR-IBGZPJMESA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCCCn1c(Cc2ccccc2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001359218130 1067794483 /nfs/dbraw/zinc/79/44/83/1067794483.db2.gz YEUCHGGYAQZJCD-UHFFFAOYSA-N 1 0 379.552 3.818 20 30 GHEDRO C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359218612 1067796034 /nfs/dbraw/zinc/79/60/34/1067796034.db2.gz OPPPTCBALYRIJV-LJQANCHMSA-N 1 0 385.581 3.961 20 30 GHEDRO C=CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC001359249568 1067898550 /nfs/dbraw/zinc/89/85/50/1067898550.db2.gz IFWHYCCKBUNQPN-FQEVSTJZSA-N 1 0 382.556 3.939 20 30 GHEDRO C=CCCc1ccccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849585533 1067914303 /nfs/dbraw/zinc/91/43/03/1067914303.db2.gz DAWDMVUIQIISIC-SFTDATJTSA-N 1 0 380.536 3.991 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849586320 1067914522 /nfs/dbraw/zinc/91/45/22/1067914522.db2.gz DHVQEHPNIJYQCV-DHIUTWEWSA-N 1 0 394.563 3.839 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359286203 1067966170 /nfs/dbraw/zinc/96/61/70/1067966170.db2.gz VFGPKYKMAXHCQB-DLBZAZTESA-N 1 0 378.524 3.542 20 30 GHEDRO C=CCOc1ccc(Cn2c(C)nnc2N2CCC([NH+](CC)CC)CC2)cc1 ZINC001359306893 1068023841 /nfs/dbraw/zinc/02/38/41/1068023841.db2.gz UNHCLJDGRRPEJK-UHFFFAOYSA-N 1 0 383.540 3.510 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001469255042 1068066283 /nfs/dbraw/zinc/06/62/83/1068066283.db2.gz OJHLDIVFKMXHBN-MOJGAOKDSA-N 1 0 390.531 3.823 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001359476178 1068071104 /nfs/dbraw/zinc/07/11/04/1068071104.db2.gz YODJYFKXAGTESJ-QFBILLFUSA-N 1 0 398.580 3.543 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001469425219 1068157618 /nfs/dbraw/zinc/15/76/18/1068157618.db2.gz AUAUESSBTGWAIW-HOTGVXAUSA-N 1 0 395.469 3.936 20 30 GHEDRO CC1(C)CCC[N@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CC=CCC2)C1 ZINC001360808873 1068640539 /nfs/dbraw/zinc/64/05/39/1068640539.db2.gz WCPAIPYLCYAPII-UHFFFAOYSA-N 1 0 390.535 3.705 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCCC[C@@H]3CCO)sc2C1 ZINC001460096085 1068779507 /nfs/dbraw/zinc/77/95/07/1068779507.db2.gz VRKALNYGANXBDG-HZPDHXFCSA-N 1 0 389.565 3.700 20 30 GHEDRO Fc1cccc(N2CCC[N@H+](CCOCC(F)(F)C(F)(F)F)CC2)c1F ZINC001460128232 1068797747 /nfs/dbraw/zinc/79/77/47/1068797747.db2.gz IYTPBVIRNKLGEZ-UHFFFAOYSA-N 1 0 388.327 3.691 20 30 GHEDRO C[N@H+](CCCOc1ccc(C#N)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC001460239113 1068879010 /nfs/dbraw/zinc/87/90/10/1068879010.db2.gz RSWILVGPADXXGB-LJQANCHMSA-N 1 0 389.293 3.755 20 30 GHEDRO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)C1 ZINC001460521993 1068986628 /nfs/dbraw/zinc/98/66/28/1068986628.db2.gz LFESBLSCNKNHJR-KRWDZBQOSA-N 1 0 393.487 3.784 20 30 GHEDRO CCc1ccc([C@H](C#N)N(C)C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001460600796 1069018135 /nfs/dbraw/zinc/01/81/35/1069018135.db2.gz SMZDYUWEKIZXSZ-MMIRBSHRSA-N 1 0 391.515 3.926 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC001460621918 1069036707 /nfs/dbraw/zinc/03/67/07/1069036707.db2.gz SMFJFSXGPBSITP-LJQANCHMSA-N 1 0 385.508 3.553 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1OC ZINC001460652525 1069059029 /nfs/dbraw/zinc/05/90/29/1069059029.db2.gz SODREPBZQBVSEV-PMACEKPBSA-N 1 0 393.487 3.812 20 30 GHEDRO CC(C)(C)c1cccc(OCCC[NH+]2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC001460746446 1069151852 /nfs/dbraw/zinc/15/18/52/1069151852.db2.gz TXLCCALBSFRETR-UHFFFAOYSA-N 1 0 378.520 3.842 20 30 GHEDRO CC(C)[N@H+](CCCOc1cccc(C#N)c1)CCN(C)C(=O)OC(C)(C)C ZINC001460808732 1069194494 /nfs/dbraw/zinc/19/44/94/1069194494.db2.gz HJXOPFLQIIUQJL-UHFFFAOYSA-N 1 0 375.513 3.904 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)CCCCC1 ZINC001460833952 1069209519 /nfs/dbraw/zinc/20/95/19/1069209519.db2.gz ZTVZAVVHUMRBKI-UHFFFAOYSA-N 1 0 395.591 3.770 20 30 GHEDRO C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001470904108 1072802468 /nfs/dbraw/zinc/80/24/68/1072802468.db2.gz IWDDILTXCINPRS-VQTJNVASSA-N 1 0 378.605 3.567 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001470963048 1072850923 /nfs/dbraw/zinc/85/09/23/1072850923.db2.gz NYFDNEUEZSLIFT-GOSISDBHSA-N 1 0 375.497 3.738 20 30 GHEDRO CC[C@H](Cc1ccc(F)cc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001478956401 1079037998 /nfs/dbraw/zinc/03/79/98/1079037998.db2.gz ZBLDGYRGBJMPNA-JOCHJYFZSA-N 1 0 396.510 3.792 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001471929940 1073265861 /nfs/dbraw/zinc/26/58/61/1073265861.db2.gz VKZYXYAJOVSHMT-SMIHKQSGSA-N 1 0 387.527 3.739 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001471929818 1073266182 /nfs/dbraw/zinc/26/61/82/1073266182.db2.gz RXUHSWCQBWOIJA-IEIJKENGSA-N 1 0 388.511 3.714 20 30 GHEDRO COCC[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001473270369 1073900228 /nfs/dbraw/zinc/90/02/28/1073900228.db2.gz VVRUVUNBVIKPEC-JOCHJYFZSA-N 1 0 377.488 3.987 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC001473324283 1073921321 /nfs/dbraw/zinc/92/13/21/1073921321.db2.gz AINFTBNQUYADSZ-ZDUSSCGKSA-N 1 0 389.377 3.686 20 30 GHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](O)c1cccc(C#N)c1 ZINC001473387894 1073945448 /nfs/dbraw/zinc/94/54/48/1073945448.db2.gz NEXSOZYIBWDIKJ-SJCJKPOMSA-N 1 0 375.266 3.714 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC001473401057 1073949894 /nfs/dbraw/zinc/94/98/94/1073949894.db2.gz YGKCCXYWPKRPGH-FXAWDEMLSA-N 1 0 384.467 3.790 20 30 GHEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001473417102 1073955527 /nfs/dbraw/zinc/95/55/27/1073955527.db2.gz VGEOEXCPMBCECU-JOCHJYFZSA-N 1 0 386.495 3.979 20 30 GHEDRO C#CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC ZINC001473454399 1073971578 /nfs/dbraw/zinc/97/15/78/1073971578.db2.gz QABQGYBVSYTQCY-INIZCTEOSA-N 1 0 398.528 3.950 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC001473551784 1074013252 /nfs/dbraw/zinc/01/32/52/1074013252.db2.gz SYKAAWLCIYQWSK-VXKWHMMOSA-N 1 0 389.499 3.974 20 30 GHEDRO CC[N@H+]1[C@H](C)CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC001473599773 1074040948 /nfs/dbraw/zinc/04/09/48/1074040948.db2.gz RNWUPVJEYCRTRX-OWCLPIDISA-N 1 0 388.581 3.630 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C ZINC001473685331 1074086086 /nfs/dbraw/zinc/08/60/86/1074086086.db2.gz SXNSXIUUOPXNPS-INIZCTEOSA-N 1 0 392.459 3.748 20 30 GHEDRO CCC(O)(CC)C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001473694656 1074091332 /nfs/dbraw/zinc/09/13/32/1074091332.db2.gz PUWQFTDZIZDDTP-AWEZNQCLSA-N 1 0 377.554 3.699 20 30 GHEDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(C#N)c1F ZINC001473840448 1074168478 /nfs/dbraw/zinc/16/84/78/1074168478.db2.gz XZQXPQCELMAZSY-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC001473871055 1074184045 /nfs/dbraw/zinc/18/40/45/1074184045.db2.gz PPEUKYSHLNUWQZ-AWEZNQCLSA-N 1 0 385.899 3.888 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC001473982540 1074225803 /nfs/dbraw/zinc/22/58/03/1074225803.db2.gz SBZGSOOIFGSBDC-HNNXBMFYSA-N 1 0 392.247 3.967 20 30 GHEDRO C#CCC[N@@H+](CCOC)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001474643090 1074495977 /nfs/dbraw/zinc/49/59/77/1074495977.db2.gz MEWKJLWZGNYLLJ-UHFFFAOYSA-N 1 0 378.538 3.513 20 30 GHEDRO C[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC001493697755 1079288076 /nfs/dbraw/zinc/28/80/76/1079288076.db2.gz QLXXSORWNVQDNW-ROUUACIJSA-N 1 0 392.551 3.784 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001493920306 1079308873 /nfs/dbraw/zinc/30/88/73/1079308873.db2.gz KTBKQVGMKAFGDO-GOSISDBHSA-N 1 0 378.524 3.539 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001476057373 1075076868 /nfs/dbraw/zinc/07/68/68/1075076868.db2.gz ZEQGYLKORIXRAL-INIZCTEOSA-N 1 0 393.491 3.940 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CC1 ZINC001476200165 1075102587 /nfs/dbraw/zinc/10/25/87/1075102587.db2.gz CXEUXLFFXGVXMW-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1[C@H]1C[C@@H]1C ZINC001495653892 1079426041 /nfs/dbraw/zinc/42/60/41/1079426041.db2.gz OESPEAVQMDCFRJ-WFXMLNOXSA-N 1 0 392.551 3.956 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(F)F ZINC001501975758 1079629000 /nfs/dbraw/zinc/62/90/00/1079629000.db2.gz VEVFAOPEJMTLNA-OAHLLOKOSA-N 1 0 390.482 3.638 20 30 GHEDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001654935745 1126254398 /nfs/dbraw/zinc/25/43/98/1126254398.db2.gz KKZLQMYCEAGGQN-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001656465876 1126257934 /nfs/dbraw/zinc/25/79/34/1126257934.db2.gz HQBMQVVFNSKIEA-WOJBJXKFSA-N 1 0 392.421 3.993 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001656465874 1126257956 /nfs/dbraw/zinc/25/79/56/1126257956.db2.gz HQBMQVVFNSKIEA-UXHICEINSA-N 1 0 392.421 3.993 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000359896090 206267652 /nfs/dbraw/zinc/26/76/52/206267652.db2.gz HUGPWBCHSWXDLP-KDOFPFPSSA-N 1 0 390.409 3.718 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830857026 601313691 /nfs/dbraw/zinc/31/36/91/601313691.db2.gz RDKCNZFKIBMUJL-JOCHJYFZSA-N 1 0 377.488 3.528 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000823882887 608282118 /nfs/dbraw/zinc/28/21/18/608282118.db2.gz FJUBZPXPWUAEEZ-CYBMUJFWSA-N 1 0 387.846 3.988 20 30 GHEDRO Clc1cc(-c2nn[nH]n2)cc(N=NC2CCCC[C@H]2[NH+]2CCCCCC2)n1 ZINC000826349953 608536190 /nfs/dbraw/zinc/53/61/90/608536190.db2.gz BABKFGYZUHQFSC-OAHLLOKOSA-N 1 0 388.907 3.502 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164623282 719046273 /nfs/dbraw/zinc/04/62/73/719046273.db2.gz MQEQITZYNNAWEY-APWZRJJASA-N 1 0 388.849 3.735 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C#N ZINC001164729939 720351736 /nfs/dbraw/zinc/35/17/36/720351736.db2.gz YXNKBPRXMXVRKY-HZPDHXFCSA-N 1 0 388.302 3.817 20 30 GHEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccnc(Cl)c1C#N ZINC001164735599 720543318 /nfs/dbraw/zinc/54/33/18/720543318.db2.gz QBBNAIXSXOEDIL-CYBMUJFWSA-N 1 0 398.885 3.668 20 30 GHEDRO Cc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164842671 720665711 /nfs/dbraw/zinc/66/57/11/720665711.db2.gz TUFCRBWOIKIEFU-FQEVSTJZSA-N 1 0 376.504 3.522 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)ncc1C#N)CC2 ZINC001164793391 721490714 /nfs/dbraw/zinc/49/07/14/721490714.db2.gz RNHJIINQFVAPGM-UHFFFAOYSA-N 1 0 381.911 3.883 20 30 GHEDRO C=CCOc1cc(C)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995605 722200397 /nfs/dbraw/zinc/20/03/97/722200397.db2.gz OLYMGXPOQXJQQH-QFIPXVFZSA-N 1 0 382.483 3.734 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c(C#N)c1C ZINC000180850233 837590107 /nfs/dbraw/zinc/59/01/07/837590107.db2.gz YGWGHMFFXBSPSB-LSDHHAIUSA-N 1 0 377.448 3.632 20 30 GHEDRO COc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000173264498 837601642 /nfs/dbraw/zinc/60/16/42/837601642.db2.gz FWFPDRYDKHBJFW-SFHVURJKSA-N 1 0 395.528 3.956 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1cnc2ccc(C#N)cn12 ZINC000180880883 837607682 /nfs/dbraw/zinc/60/76/82/837607682.db2.gz OBUHDDDKQJHSGP-UHFFFAOYSA-N 1 0 377.517 3.675 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C3(C(N)=O)CCCC3)sc2C1 ZINC000333095726 844012215 /nfs/dbraw/zinc/01/22/15/844012215.db2.gz DASUKECGIWDCJX-CYBMUJFWSA-N 1 0 388.537 3.853 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000579939598 837685182 /nfs/dbraw/zinc/68/51/82/837685182.db2.gz FWDCBKUENYHGSN-OAQYLSRUSA-N 1 0 379.504 3.573 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C#N)cs1 ZINC000177066296 837743056 /nfs/dbraw/zinc/74/30/56/837743056.db2.gz SLHDYLWQHKZFNI-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Cl)s1 ZINC000044566562 834369175 /nfs/dbraw/zinc/36/91/75/834369175.db2.gz AWIVDAKZYQJDQR-UHFFFAOYSA-N 1 0 375.925 3.796 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000278311150 834626742 /nfs/dbraw/zinc/62/67/42/834626742.db2.gz FGHZMLYJVNFKPN-QFBILLFUSA-N 1 0 392.425 3.599 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278771923 834639165 /nfs/dbraw/zinc/63/91/65/834639165.db2.gz YHDZBPCBSOJMBG-FGZHOGPDSA-N 1 0 387.487 3.869 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000159961063 834645261 /nfs/dbraw/zinc/64/52/61/834645261.db2.gz JIDYDAQVZJDKPO-PMACEKPBSA-N 1 0 384.524 3.527 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584457722 834690108 /nfs/dbraw/zinc/69/01/08/834690108.db2.gz YIIMTOGCADQNNT-YSSFQJQWSA-N 1 0 393.934 3.793 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000176955043 837818160 /nfs/dbraw/zinc/81/81/60/837818160.db2.gz HFTOKUXKYIXGMH-ZDUSSCGKSA-N 1 0 376.323 3.998 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)nc1 ZINC000430183157 834835192 /nfs/dbraw/zinc/83/51/92/834835192.db2.gz BMZJLZCQDLXJLI-NRFANRHFSA-N 1 0 386.455 3.581 20 30 GHEDRO N#Cc1csc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000176955567 837818259 /nfs/dbraw/zinc/81/82/59/837818259.db2.gz WKMJVFCLEPSEIA-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c(OC)c1 ZINC000246287059 834856035 /nfs/dbraw/zinc/85/60/35/834856035.db2.gz BGCXTRBNGNKMNM-MAUKXSAKSA-N 1 0 390.549 3.930 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1OC(C)C ZINC000583685911 834866043 /nfs/dbraw/zinc/86/60/43/834866043.db2.gz DNEKKUXMENDRSX-UHFFFAOYSA-N 1 0 381.520 3.918 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000247232641 837818577 /nfs/dbraw/zinc/81/85/77/837818577.db2.gz DAYPLDVMPVCDEX-VGOFRKELSA-N 1 0 377.488 3.549 20 30 GHEDRO C[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C[NH+]1CCCCC1 ZINC000511270608 834928037 /nfs/dbraw/zinc/92/80/37/834928037.db2.gz ZQGWGASBSXPUOL-MRXNPFEDSA-N 1 0 397.548 3.849 20 30 GHEDRO C[C@]1(CNC(=O)Nc2ccc(F)cc2OCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000157596259 834952266 /nfs/dbraw/zinc/95/22/66/834952266.db2.gz QDVLTTNWWREMQW-JOCHJYFZSA-N 1 0 396.466 3.904 20 30 GHEDRO Cn1c(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)nc2cc(F)ccc21 ZINC000583745929 834969253 /nfs/dbraw/zinc/96/92/53/834969253.db2.gz ZZJYRDVRIADFNJ-UHFFFAOYSA-N 1 0 376.357 3.935 20 30 GHEDRO C=C[C@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000657794464 835050047 /nfs/dbraw/zinc/05/00/47/835050047.db2.gz ZQZRPEPOSAJOQV-MRXNPFEDSA-N 1 0 392.293 3.673 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000685542079 835140382 /nfs/dbraw/zinc/14/03/82/835140382.db2.gz KXGIRRKZNBHECL-UHFFFAOYSA-N 1 0 388.519 3.547 20 30 GHEDRO C=CCn1c(COCC)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000685542183 835141470 /nfs/dbraw/zinc/14/14/70/835141470.db2.gz BFLBSCCLIQMKNK-UYAOXDASSA-N 1 0 383.540 3.662 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[N@@H+]1C ZINC000578054721 835179257 /nfs/dbraw/zinc/17/92/57/835179257.db2.gz HRIPUGAODVKLPY-FQEVSTJZSA-N 1 0 379.464 3.549 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000157560169 835231696 /nfs/dbraw/zinc/23/16/96/835231696.db2.gz GKMHIWMUHDUMFD-QGZVFWFLSA-N 1 0 377.444 3.966 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000512506294 844030758 /nfs/dbraw/zinc/03/07/58/844030758.db2.gz JNSVQNACQYSVSV-FQEVSTJZSA-N 1 0 397.479 3.556 20 30 GHEDRO C=C[C@@H](CC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000536169057 835284510 /nfs/dbraw/zinc/28/45/10/835284510.db2.gz IRANAPPUEAWPJU-QHCPKHFHSA-N 1 0 391.559 3.800 20 30 GHEDRO C=CCN1C(=O)N([C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431621140 835312714 /nfs/dbraw/zinc/31/27/14/835312714.db2.gz BWUIHNXYTZYPSO-KAGYGMCKSA-N 1 0 395.547 3.701 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000509856961 844042344 /nfs/dbraw/zinc/04/23/44/844042344.db2.gz ZIEXMBNTLRZYGW-QGZVFWFLSA-N 1 0 385.414 3.663 20 30 GHEDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278543724 835356422 /nfs/dbraw/zinc/35/64/22/835356422.db2.gz AJMZEXYNFJHVQH-IERDGZPVSA-N 1 0 393.466 3.600 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000584049413 835508058 /nfs/dbraw/zinc/50/80/58/835508058.db2.gz ZGWQGWPBOUFXOR-SFHVURJKSA-N 1 0 390.405 3.638 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(O)cc(C(F)(F)F)c3)CC2)cc1 ZINC000573027326 835518258 /nfs/dbraw/zinc/51/82/58/835518258.db2.gz VENGOKPNVFTFAW-UHFFFAOYSA-N 1 0 389.421 3.991 20 30 GHEDRO CCN(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1C ZINC000278602283 835520910 /nfs/dbraw/zinc/52/09/10/835520910.db2.gz HYJHIDTVOAJHRQ-UHFFFAOYSA-N 1 0 388.519 3.783 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H](C)C1 ZINC000120508932 835523259 /nfs/dbraw/zinc/52/32/59/835523259.db2.gz LOCWBACVZZVRIX-CJNGLKHVSA-N 1 0 398.429 3.693 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432871483 844072632 /nfs/dbraw/zinc/07/26/32/844072632.db2.gz HZNUYGBJARFXQC-IFXJQAMLSA-N 1 0 378.394 3.816 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC000274829357 835669746 /nfs/dbraw/zinc/66/97/46/835669746.db2.gz QOYJVIYHKGKZGA-UHFFFAOYSA-N 1 0 393.413 3.663 20 30 GHEDRO C[N@@H+]1CC[C@H](C/N=C/c2ccc(O)c(O)c2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134454165 835730401 /nfs/dbraw/zinc/73/04/01/835730401.db2.gz AGSFLXQVVLTDOU-FERIQJGXSA-N 1 0 378.831 3.708 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179473262 835737416 /nfs/dbraw/zinc/73/74/16/835737416.db2.gz OWMFJXIBEODDJY-UWJYYQICSA-N 1 0 385.870 3.702 20 30 GHEDRO CC[NH+](CC)[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)CC(C)C ZINC000278670680 835745954 /nfs/dbraw/zinc/74/59/54/835745954.db2.gz OAKWBHDBVHEBFU-NRFANRHFSA-N 1 0 382.556 3.705 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1)C1N=CC=CC1=O ZINC000255769225 835775323 /nfs/dbraw/zinc/77/53/23/835775323.db2.gz HXGUCFCNTPZTBO-VHEBQXMUSA-N 1 0 387.892 3.685 20 30 GHEDRO CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001208926196 835803162 /nfs/dbraw/zinc/80/31/62/835803162.db2.gz CXWMZGOTEQEBNF-UHFFFAOYSA-N 1 0 386.499 3.779 20 30 GHEDRO CC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1F ZINC000278703774 835841747 /nfs/dbraw/zinc/84/17/47/835841747.db2.gz QZFKNCMGQHIZJZ-LJQANCHMSA-N 1 0 393.466 3.945 20 30 GHEDRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1 ZINC000655435017 835884087 /nfs/dbraw/zinc/88/40/87/835884087.db2.gz NFNDEAAWTQMKHK-NRFANRHFSA-N 1 0 383.536 3.718 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C(C)C)C1CCCCC1 ZINC000102768709 835884728 /nfs/dbraw/zinc/88/47/28/835884728.db2.gz QGHRTXVRYKWJEK-UHFFFAOYSA-N 1 0 388.556 3.995 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCSC1 ZINC000480256292 835936152 /nfs/dbraw/zinc/93/61/52/835936152.db2.gz ADKSWCMZQJDWHE-NRFANRHFSA-N 1 0 397.569 3.877 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccc(C#N)cc1 ZINC000278753083 835968373 /nfs/dbraw/zinc/96/83/73/835968373.db2.gz NZABQCOERLLZGY-QFIPXVFZSA-N 1 0 391.515 3.841 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000188497276 835977283 /nfs/dbraw/zinc/97/72/83/835977283.db2.gz OMCMALWHFDZELB-UHFFFAOYSA-N 1 0 377.463 3.510 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)ccc1OC ZINC000612303447 836025194 /nfs/dbraw/zinc/02/51/94/836025194.db2.gz PQIDIASZJUHKDK-NRFANRHFSA-N 1 0 388.512 3.573 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(C)cc(OC(F)(F)F)c3)C2)C1=O ZINC001143463768 836056876 /nfs/dbraw/zinc/05/68/76/836056876.db2.gz JYGYPTLKPWFRQP-LJQANCHMSA-N 1 0 382.426 3.894 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000511337970 836061496 /nfs/dbraw/zinc/06/14/96/836061496.db2.gz OMCYBEZTLQGVHV-UHFFFAOYSA-N 1 0 398.551 3.913 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000065874210 836071555 /nfs/dbraw/zinc/07/15/55/836071555.db2.gz GJYQCUIBDFZWSA-LJQANCHMSA-N 1 0 395.478 3.592 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[NH+]2CCCCC2)cc1 ZINC000612355628 836109262 /nfs/dbraw/zinc/10/92/62/836109262.db2.gz CELINIOAUSDYTP-UNMCSNQZSA-N 1 0 384.524 3.557 20 30 GHEDRO C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000612372284 836130224 /nfs/dbraw/zinc/13/02/24/836130224.db2.gz NOSZFCBNZZHSOF-MJGOQNOKSA-N 1 0 394.441 3.615 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000048214831 836135841 /nfs/dbraw/zinc/13/58/41/836135841.db2.gz HVWLQNAGUWQRMY-UHFFFAOYSA-N 1 0 382.895 3.675 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000548928748 836183942 /nfs/dbraw/zinc/18/39/42/836183942.db2.gz SYOZYXZWMTXEFC-UHFFFAOYSA-N 1 0 386.839 3.623 20 30 GHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)CC3CC[NH+](C)CC3)c2)c1 ZINC000612437426 836228927 /nfs/dbraw/zinc/22/89/27/836228927.db2.gz ZPQZIDFMYIYYKX-UHFFFAOYSA-N 1 0 390.483 3.543 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643831 836233002 /nfs/dbraw/zinc/23/30/02/836233002.db2.gz XLGVZFOBQGZJIK-MSOLQXFVSA-N 1 0 388.581 3.826 20 30 GHEDRO CC(C)c1cccc(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930772 836254790 /nfs/dbraw/zinc/25/47/90/836254790.db2.gz OZZWPZMFPAYMBU-UHFFFAOYSA-N 1 0 379.504 3.651 20 30 GHEDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000613388570 836256172 /nfs/dbraw/zinc/25/61/72/836256172.db2.gz BHZWKUPMIPNIPW-KXBFYZLASA-N 1 0 397.544 3.581 20 30 GHEDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000613389833 836271082 /nfs/dbraw/zinc/27/10/82/836271082.db2.gz UDFZQTCPIVWRDU-HNAYVOBHSA-N 1 0 397.544 3.581 20 30 GHEDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000613389836 836271722 /nfs/dbraw/zinc/27/17/22/836271722.db2.gz UDFZQTCPIVWRDU-KXBFYZLASA-N 1 0 397.544 3.581 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000582442082 836293619 /nfs/dbraw/zinc/29/36/19/836293619.db2.gz DULZFOANJSYILA-XMSQKQJNSA-N 1 0 399.560 3.743 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000582517778 836372419 /nfs/dbraw/zinc/37/24/19/836372419.db2.gz ZYFJQRKADBQTHK-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO N=c1cc(C[NH3+])ccn1-c1ccc(C#Cc2ccc(Br)cc2)cc1 ZINC001167689399 836385751 /nfs/dbraw/zinc/38/57/51/836385751.db2.gz GGSMVEINPCUDQK-UHFFFAOYSA-N 1 0 378.273 3.578 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(CN3CCCC3=O)cc2)c(O)c1 ZINC000255049662 836484204 /nfs/dbraw/zinc/48/42/04/836484204.db2.gz KDEISYHOOOZDRQ-JLPGSUDCSA-N 1 0 379.504 3.980 20 30 GHEDRO C=CCN1C(=O)N(C2CC[NH+](C3CCCCC3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431671555 836648186 /nfs/dbraw/zinc/64/81/86/836648186.db2.gz DHFJXPRKOUEDBJ-QFIPXVFZSA-N 1 0 395.547 3.845 20 30 GHEDRO CC(=O)c1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1F ZINC000650192185 836676962 /nfs/dbraw/zinc/67/69/62/836676962.db2.gz SNXTYJUVDGPBQR-UHFFFAOYSA-N 1 0 394.450 3.686 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510191575 836704249 /nfs/dbraw/zinc/70/42/49/836704249.db2.gz ILBMSNOVMHHVGM-SVFBPWRDSA-N 1 0 391.515 3.742 20 30 GHEDRO Cc1cc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc(OC(F)(F)F)c1 ZINC001143468388 836741435 /nfs/dbraw/zinc/74/14/35/836741435.db2.gz GRKGOKCVNZNNFY-UHFFFAOYSA-N 1 0 390.409 3.873 20 30 GHEDRO CC[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000413911908 836759745 /nfs/dbraw/zinc/75/97/45/836759745.db2.gz OLLLKUXTXTXJHW-MRXNPFEDSA-N 1 0 396.457 3.754 20 30 GHEDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000658927625 836762867 /nfs/dbraw/zinc/76/28/67/836762867.db2.gz FHRGVEPOYKZQCY-SNVBAGLBSA-N 1 0 386.311 3.787 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)cc1 ZINC000175304348 836776093 /nfs/dbraw/zinc/77/60/93/836776093.db2.gz FTZHFRAGALIBSX-UHFFFAOYSA-N 1 0 395.503 3.654 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000180234835 836789742 /nfs/dbraw/zinc/78/97/42/836789742.db2.gz BRYGFKVNBWWKBE-HXOBKFHXSA-N 1 0 399.498 3.899 20 30 GHEDRO C#CC[N@@H+](CCOc1ccc(/C=C/C(=O)OC)cc1)[C@H]1CCc2ccccc21 ZINC001167178971 836816729 /nfs/dbraw/zinc/81/67/29/836816729.db2.gz QMLHATMDESUJBS-VOCPSOEZSA-N 1 0 375.468 3.874 20 30 GHEDRO C[C@@](CO)([NH2+]CCCOc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000610786441 844210302 /nfs/dbraw/zinc/21/03/02/844210302.db2.gz FRQCITULTSIMOU-IBGZPJMESA-N 1 0 378.394 3.843 20 30 GHEDRO N#Cc1ccc(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000609455553 836924084 /nfs/dbraw/zinc/92/40/84/836924084.db2.gz CSSINJVHSFCICC-NRFANRHFSA-N 1 0 381.907 3.925 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000141486383 836951382 /nfs/dbraw/zinc/95/13/82/836951382.db2.gz JJVXPAIVMOTCGY-GOSISDBHSA-N 1 0 388.556 3.852 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccccc1 ZINC000027056519 837024169 /nfs/dbraw/zinc/02/41/69/837024169.db2.gz OIEJPJXKBDRBRA-UHFFFAOYSA-O 1 0 384.525 3.507 20 30 GHEDRO Cc1cc(C)c(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccccc2)cc1C ZINC000028605951 837135139 /nfs/dbraw/zinc/13/51/39/837135139.db2.gz GOXHZWWTZNIIQI-SFHVURJKSA-O 1 0 383.537 3.607 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066676478 837161670 /nfs/dbraw/zinc/16/16/70/837161670.db2.gz JZLRJYDYWNEXED-LJQANCHMSA-N 1 0 391.515 3.696 20 30 GHEDRO C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[N@@H+](C2CC2)C1 ZINC000580284067 837326725 /nfs/dbraw/zinc/32/67/25/837326725.db2.gz UZQDXHVUIVNYAS-QGZVFWFLSA-N 1 0 375.472 3.907 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000613179176 837372096 /nfs/dbraw/zinc/37/20/96/837372096.db2.gz OQERLCLDWHVSSJ-UNMCSNQZSA-N 1 0 390.531 3.898 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000547952737 837862965 /nfs/dbraw/zinc/86/29/65/837862965.db2.gz MVDZVVNPHZVEAZ-FQEVSTJZSA-N 1 0 385.895 3.651 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCNc2ncc(Cl)cc2Cl)cc1 ZINC000177371347 837942477 /nfs/dbraw/zinc/94/24/77/837942477.db2.gz SSDKDQZXTLOJEE-UHFFFAOYSA-N 1 0 378.307 3.940 20 30 GHEDRO N#Cc1ccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1Cl ZINC000547960307 837957806 /nfs/dbraw/zinc/95/78/06/837957806.db2.gz VWLKMPQVUPHDJY-UHFFFAOYSA-N 1 0 397.906 3.659 20 30 GHEDRO C=CCOc1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000510984010 844278881 /nfs/dbraw/zinc/27/88/81/844278881.db2.gz NDODZPWNCKWHOX-UHFFFAOYSA-N 1 0 375.538 3.735 20 30 GHEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415708141 838008298 /nfs/dbraw/zinc/00/82/98/838008298.db2.gz XAOCOYSMLOCBEM-QAPCUYQASA-N 1 0 394.523 3.775 20 30 GHEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 ZINC000415703204 838015459 /nfs/dbraw/zinc/01/54/59/838015459.db2.gz QGKRAKSIYUOSRJ-RDJZCZTQSA-N 1 0 394.523 3.633 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000609071092 838045674 /nfs/dbraw/zinc/04/56/74/838045674.db2.gz XUOZKIVYTZKBJM-NRFANRHFSA-N 1 0 395.503 3.971 20 30 GHEDRO COc1ccccc1[C@@H]1CNCCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000415771768 838083790 /nfs/dbraw/zinc/08/37/90/838083790.db2.gz DMHBWQYGDXEDCP-SFHVURJKSA-N 1 0 384.867 3.593 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415806598 838122999 /nfs/dbraw/zinc/12/29/99/838122999.db2.gz PFKJARYAUINTIS-GOSISDBHSA-N 1 0 394.313 3.621 20 30 GHEDRO CC1(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000330165435 838182815 /nfs/dbraw/zinc/18/28/15/838182815.db2.gz WYPNMMKJWPYXIT-FQEVSTJZSA-N 1 0 386.536 3.973 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000415874970 838215155 /nfs/dbraw/zinc/21/51/55/838215155.db2.gz XUTALLNJTGLHQA-UHFFFAOYSA-N 1 0 377.492 3.512 20 30 GHEDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659318257 838277557 /nfs/dbraw/zinc/27/75/57/838277557.db2.gz CEOUEFUUKJZVGX-NSHDSACASA-N 1 0 386.311 3.846 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182013217 838315232 /nfs/dbraw/zinc/31/52/32/838315232.db2.gz KNQZWBTUCUIJOF-HJPURHCSSA-N 1 0 395.478 3.864 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000247250420 838463857 /nfs/dbraw/zinc/46/38/57/838463857.db2.gz DQGOHLHMQJOTMW-FDDCHVKYSA-N 1 0 391.515 3.940 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000610343968 838569139 /nfs/dbraw/zinc/56/91/39/838569139.db2.gz XGTIXOPJYZEMJG-IAGOWNOFSA-N 1 0 392.503 3.718 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CSc1ccc(C#N)cc1 ZINC000150900090 838690695 /nfs/dbraw/zinc/69/06/95/838690695.db2.gz HKNJABSPAGSFRK-QZTJIDSGSA-N 1 0 393.556 3.923 20 30 GHEDRO N#Cc1cnc(N=C2CCC([NH+]3CCCC3)CC2)c(I)c1 ZINC001210706238 838756779 /nfs/dbraw/zinc/75/67/79/838756779.db2.gz VENWTFLCMOPGQS-CQSZACIVSA-N 1 0 394.260 3.502 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023739790 838841735 /nfs/dbraw/zinc/84/17/35/838841735.db2.gz GVKDIBLGWITSSN-FQEVSTJZSA-N 1 0 388.471 3.817 20 30 GHEDRO COc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OCC[NH+](C)C ZINC000416331535 838972074 /nfs/dbraw/zinc/97/20/74/838972074.db2.gz CECLQSBZPRAZJG-UHFFFAOYSA-N 1 0 381.476 3.689 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000048161034 844386839 /nfs/dbraw/zinc/38/68/39/844386839.db2.gz JFLXBOKRUMKESY-UHFFFAOYSA-N 1 0 394.519 3.766 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000549431637 839088929 /nfs/dbraw/zinc/08/89/29/839088929.db2.gz MODYAIINGWZFID-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO Cc1oc(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549165531 839115743 /nfs/dbraw/zinc/11/57/43/839115743.db2.gz LDISDORBHMSVJD-HXUWFJFHSA-N 1 0 394.519 3.597 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000050090778 839154989 /nfs/dbraw/zinc/15/49/89/839154989.db2.gz FMVUBRWPQZWAKI-UHFFFAOYSA-N 1 0 380.492 3.595 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000050089526 839156802 /nfs/dbraw/zinc/15/68/02/839156802.db2.gz BTUFFXIXUBJNKO-UHFFFAOYSA-N 1 0 378.476 3.601 20 30 GHEDRO CC1(C)CN(C(=O)NCC2(C#N)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000580284979 839175131 /nfs/dbraw/zinc/17/51/31/839175131.db2.gz ASVXHLKGIQOSTB-HXUWFJFHSA-N 1 0 380.536 3.622 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000415083006 839179457 /nfs/dbraw/zinc/17/94/57/839179457.db2.gz MPZNVBLUSDRHDQ-NRFANRHFSA-N 1 0 380.448 3.562 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415082991 839179495 /nfs/dbraw/zinc/17/94/95/839179495.db2.gz MOBVHHBAJXZRCN-SJORKVTESA-N 1 0 394.475 3.998 20 30 GHEDRO N#CC1(NC(=O)C[C@H]2CCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378480405 839193046 /nfs/dbraw/zinc/19/30/46/839193046.db2.gz FXBJFQPPKLZBMO-HXUWFJFHSA-N 1 0 389.499 3.617 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2sccc2C#N)C1 ZINC000365803921 839372543 /nfs/dbraw/zinc/37/25/43/839372543.db2.gz YGCYJCVRTVRGJT-BGTYHANMSA-N 1 0 375.538 3.600 20 30 GHEDRO C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001167387468 839424561 /nfs/dbraw/zinc/42/45/61/839424561.db2.gz STRLVCLQYMACEF-UYAOXDASSA-N 1 0 386.536 3.742 20 30 GHEDRO Cc1nc2ccc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2s1 ZINC000580391784 839466811 /nfs/dbraw/zinc/46/68/11/839466811.db2.gz POGDYWRLZSMHCM-IBGZPJMESA-N 1 0 376.485 3.762 20 30 GHEDRO Cc1nc2ccc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2s1 ZINC000580391785 839467150 /nfs/dbraw/zinc/46/71/50/839467150.db2.gz POGDYWRLZSMHCM-LJQANCHMSA-N 1 0 376.485 3.762 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)cn1C)c1ccc(C(F)(F)F)cc1 ZINC000471583034 839655297 /nfs/dbraw/zinc/65/52/97/839655297.db2.gz SUWFOILFNBVUON-GOSISDBHSA-N 1 0 392.425 3.728 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)c1ccc(Cl)cc1 ZINC000610445835 839734615 /nfs/dbraw/zinc/73/46/15/839734615.db2.gz AASYDPLQKBRVRH-FQEVSTJZSA-N 1 0 380.879 3.851 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000580543204 839776048 /nfs/dbraw/zinc/77/60/48/839776048.db2.gz QNQVBLGMZRFVII-HKUYNNGSSA-N 1 0 396.384 3.915 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000590260719 839776248 /nfs/dbraw/zinc/77/62/48/839776248.db2.gz TXBOGXAHXSMWQV-YJBOKZPZSA-N 1 0 379.426 3.898 20 30 GHEDRO CCOC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000473448590 844470554 /nfs/dbraw/zinc/47/05/54/844470554.db2.gz GEGXITINCQNCSM-RHSMWYFYSA-N 1 0 377.554 3.866 20 30 GHEDRO C[C@@H](C#N)CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C1CC1 ZINC000580623507 839912224 /nfs/dbraw/zinc/91/22/24/839912224.db2.gz GSHWTUNKEIJKPX-AWEZNQCLSA-N 1 0 390.915 3.969 20 30 GHEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000160606549 840034677 /nfs/dbraw/zinc/03/46/77/840034677.db2.gz MFNCYKAWSYHWDP-OAHLLOKOSA-N 1 0 384.377 3.754 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1C ZINC000261765889 844500947 /nfs/dbraw/zinc/50/09/47/844500947.db2.gz MBDQUBCOGVFJDF-UHFFFAOYSA-N 1 0 399.438 3.653 20 30 GHEDRO CCc1ccc([C@@H](C#N)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000580740380 840091155 /nfs/dbraw/zinc/09/11/55/840091155.db2.gz DRJMVUDFBJGMOO-HSZRJFAPSA-N 1 0 390.531 3.774 20 30 GHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000473053612 840123481 /nfs/dbraw/zinc/12/34/81/840123481.db2.gz BDYNIIMMJFATDH-INIZCTEOSA-N 1 0 398.429 3.542 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416780901 840150266 /nfs/dbraw/zinc/15/02/66/840150266.db2.gz ZGMUTWVDTVJYTA-NRFANRHFSA-N 1 0 378.476 3.698 20 30 GHEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000555548209 861191794 /nfs/dbraw/zinc/19/17/94/861191794.db2.gz NPHPNWVWLCVNBV-FCHUYYIVSA-N 1 0 389.499 3.680 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2csc3ccccc23)=[NH+]C)C1 ZINC000261673134 840228863 /nfs/dbraw/zinc/22/88/63/840228863.db2.gz GYUZJYVLUZBHHZ-RKPUJPDHSA-N 1 0 377.579 3.646 20 30 GHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000416945055 840299935 /nfs/dbraw/zinc/29/99/35/840299935.db2.gz MHWCKRMGOMBXFV-AWEZNQCLSA-N 1 0 375.394 3.576 20 30 GHEDRO Cn1cc(CN(CC[NH+](C)C)Cc2cccc(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000566765754 840368991 /nfs/dbraw/zinc/36/89/91/840368991.db2.gz ZMNJEGQXSPFTSS-UHFFFAOYSA-N 1 0 391.494 3.662 20 30 GHEDRO [NH2+]=C(NCc1cnn(Cc2ccccc2)c1)Nc1ccccc1OC(F)(F)F ZINC000160672090 840374614 /nfs/dbraw/zinc/37/46/14/840374614.db2.gz JVUKNQHPEWKVSV-UHFFFAOYSA-N 1 0 389.381 3.757 20 30 GHEDRO C#CCOc1ccccc1CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000236690699 840519120 /nfs/dbraw/zinc/51/91/20/840519120.db2.gz LSAAEHGXOBZPRH-UHFFFAOYSA-N 1 0 375.516 3.843 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000511703024 840533218 /nfs/dbraw/zinc/53/32/18/840533218.db2.gz NWCWMBZYNYOXJO-JOCHJYFZSA-N 1 0 375.516 3.908 20 30 GHEDRO COc1ccccc1O[C@H](C)CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160741712 840646664 /nfs/dbraw/zinc/64/66/64/840646664.db2.gz BSCPKXQOWFQDJZ-GFCCVEGCSA-N 1 0 383.370 3.788 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1)CC2 ZINC000584751066 840764646 /nfs/dbraw/zinc/76/46/46/840764646.db2.gz SZQGLYTUIQMPSI-APWZRJJASA-N 1 0 385.389 3.959 20 30 GHEDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417362310 840769350 /nfs/dbraw/zinc/76/93/50/840769350.db2.gz JPAXRKDTGKRABI-SCLBCKFNSA-N 1 0 386.293 3.538 20 30 GHEDRO N#Cc1cscc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000584773516 840821984 /nfs/dbraw/zinc/82/19/84/840821984.db2.gz KQGYZNOYWMZQTN-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000610813083 844611019 /nfs/dbraw/zinc/61/10/19/844611019.db2.gz YUBVUKQQLFUXRA-GOSISDBHSA-N 1 0 389.503 3.552 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433533565 844606839 /nfs/dbraw/zinc/60/68/39/844606839.db2.gz LSOQUIYHUIZHAA-UHFFFAOYSA-N 1 0 395.526 3.549 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000660703847 841113809 /nfs/dbraw/zinc/11/38/09/841113809.db2.gz ISYIWOKHDFBYFA-UHFFFAOYSA-N 1 0 389.384 3.990 20 30 GHEDRO C=CCCC[C@H](C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)c1ccccc1 ZINC001125989951 841172117 /nfs/dbraw/zinc/17/21/17/841172117.db2.gz LABRPFSZALVRPM-NRFANRHFSA-N 1 0 379.504 3.879 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000301441282 841183193 /nfs/dbraw/zinc/18/31/93/841183193.db2.gz VVPKLLCHESCYSZ-UHFFFAOYSA-N 1 0 382.483 3.635 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156186640 841258257 /nfs/dbraw/zinc/25/82/57/841258257.db2.gz INCZAGZMGGNGHJ-GCJKJVERSA-N 1 0 376.504 3.753 20 30 GHEDRO C=CCC[C@H](NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417930757 841285811 /nfs/dbraw/zinc/28/58/11/841285811.db2.gz KPIQWVYHNBWNKF-RYRKJORJSA-N 1 0 381.442 3.964 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417933195 841287421 /nfs/dbraw/zinc/28/74/21/841287421.db2.gz NVOLTBOSJMJSOQ-RYRKJORJSA-N 1 0 381.442 3.964 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1Cl ZINC000510418540 841308428 /nfs/dbraw/zinc/30/84/28/841308428.db2.gz XJPFBUCUZNPMCQ-GOSISDBHSA-N 1 0 393.878 3.837 20 30 GHEDRO COc1cc(CN(C)CC[N@H+](C)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000473087203 841343310 /nfs/dbraw/zinc/34/33/10/841343310.db2.gz ROLVTTGOVCYWGH-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(C)cc2)c(C)[nH]1 ZINC000027200086 841345214 /nfs/dbraw/zinc/34/52/14/841345214.db2.gz AUVOBPOAGPEEBH-UHFFFAOYSA-O 1 0 378.521 3.956 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)c(C)c1C)C(=S)NCCOC ZINC000027307705 841370534 /nfs/dbraw/zinc/37/05/34/841370534.db2.gz GVBMNTJVDGVEDY-UHFFFAOYSA-O 1 0 399.580 3.945 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(N(C)C)cc1 ZINC000027311640 841371959 /nfs/dbraw/zinc/37/19/59/841371959.db2.gz LKMGTDXKVPIJBK-UHFFFAOYSA-O 1 0 394.520 3.891 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1CC ZINC000027326506 841383015 /nfs/dbraw/zinc/38/30/15/841383015.db2.gz ZHRROLMQGPOGNR-UHFFFAOYSA-O 1 0 386.497 3.773 20 30 GHEDRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685421 861195989 /nfs/dbraw/zinc/19/59/89/861195989.db2.gz FCEAJIACQGMFFN-VYDXJSESSA-N 1 0 388.943 3.781 20 30 GHEDRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000185685865 861196095 /nfs/dbraw/zinc/19/60/95/861196095.db2.gz GVOQAMCSXQQXOZ-UXCYOCFNSA-N 1 0 388.600 3.548 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@H](c3nccs3)C(F)(F)F)CC2)cc1 ZINC000600181753 861200917 /nfs/dbraw/zinc/20/09/17/861200917.db2.gz ZCVUMAVFRRGXLA-MRXNPFEDSA-N 1 0 380.439 3.872 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000599452820 861201162 /nfs/dbraw/zinc/20/11/62/861201162.db2.gz BXDSJICAVLGRJO-QGZVFWFLSA-N 1 0 376.378 3.596 20 30 GHEDRO C[C@@]1(Cc2ccccc2Cl)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599462009 861211679 /nfs/dbraw/zinc/21/16/79/861211679.db2.gz LMCNVDJAZFUCJQ-QUCCMNQESA-N 1 0 376.928 3.808 20 30 GHEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000123158545 841580553 /nfs/dbraw/zinc/58/05/53/841580553.db2.gz CLLARKALDGJAAH-UHFFFAOYSA-N 1 0 396.922 3.544 20 30 GHEDRO CC(C)(C)c1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CC2 ZINC000329269663 861223125 /nfs/dbraw/zinc/22/31/25/861223125.db2.gz FFSYDONPQKPIFZ-YADHBBJMSA-N 1 0 399.579 3.634 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1cccc(C)c1 ZINC000027479915 841718310 /nfs/dbraw/zinc/71/83/10/841718310.db2.gz ATNRJEPOQKBRKY-UHFFFAOYSA-O 1 0 395.520 3.842 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC000603840552 861230939 /nfs/dbraw/zinc/23/09/39/861230939.db2.gz UDVJIGWPVRCWIU-JOCHJYFZSA-N 1 0 382.479 3.586 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000581594262 841741802 /nfs/dbraw/zinc/74/18/02/841741802.db2.gz IPVCXQZCNYQBMW-QFIPXVFZSA-N 1 0 375.472 3.741 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418304863 841786638 /nfs/dbraw/zinc/78/66/38/841786638.db2.gz WXWPVEXZILOWQP-UHFFFAOYSA-N 1 0 380.467 3.551 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C[NH+]1CCCC1 ZINC000603829542 861241439 /nfs/dbraw/zinc/24/14/39/861241439.db2.gz YSBZXEIDXDVFRH-MRXNPFEDSA-N 1 0 379.464 3.599 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132647 841849315 /nfs/dbraw/zinc/84/93/15/841849315.db2.gz JDRYRPNHFYJIJL-NZQKXSOJSA-N 1 0 377.488 3.987 20 30 GHEDRO COC1CCC([N@H+](C)CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000329289734 861249438 /nfs/dbraw/zinc/24/94/38/861249438.db2.gz AGYOCMHRJQGJAB-UHFFFAOYSA-N 1 0 377.529 3.715 20 30 GHEDRO C#Cc1ccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c(Cl)c1 ZINC000933367773 841992194 /nfs/dbraw/zinc/99/21/94/841992194.db2.gz LEQFVBINTIVOTA-UHFFFAOYSA-N 1 0 396.922 3.887 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cnn1C1CCCCC1 ZINC000329300165 861264437 /nfs/dbraw/zinc/26/44/37/861264437.db2.gz MJSKRZCNFVMPJS-NHCUHLMSSA-N 1 0 388.556 3.769 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000843676298 842154548 /nfs/dbraw/zinc/15/45/48/842154548.db2.gz ZZCBKBMMORZZHN-YLJYHZDGSA-N 1 0 378.438 3.703 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000106577135 842155961 /nfs/dbraw/zinc/15/59/61/842155961.db2.gz BJCARUGMXCVECF-JOCHJYFZSA-N 1 0 392.478 3.602 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000185747960 861281222 /nfs/dbraw/zinc/28/12/22/861281222.db2.gz YYGSFKNULDCRJW-UHFFFAOYSA-N 1 0 398.551 3.828 20 30 GHEDRO CCOc1ccc(C(C)=O)cc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000661781798 842167370 /nfs/dbraw/zinc/16/73/70/842167370.db2.gz JXDZGIFQOJRACE-UHFFFAOYSA-N 1 0 378.472 3.955 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCN(c4ccc(Br)cn4)CC3)cc2)CC1 ZINC000596980380 842196278 /nfs/dbraw/zinc/19/62/78/842196278.db2.gz ZGSFWAIEDMJSJR-UHFFFAOYSA-N 1 0 397.320 3.721 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCC[C@H]1c1ccccc1 ZINC000329321076 861285556 /nfs/dbraw/zinc/28/55/56/861285556.db2.gz GMXJMZMVMAVFLX-BDTNDASRSA-N 1 0 385.552 3.896 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1nc2ccccc2s1 ZINC000599534108 861297267 /nfs/dbraw/zinc/29/72/67/861297267.db2.gz WXAVGRCXLFXHAO-INIZCTEOSA-N 1 0 381.501 3.627 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000278959817 842381488 /nfs/dbraw/zinc/38/14/88/842381488.db2.gz ZMJWGWBLWAHBKR-IBGZPJMESA-N 1 0 390.405 3.594 20 30 GHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000512081579 842435219 /nfs/dbraw/zinc/43/52/19/842435219.db2.gz CQVNIYKHMDQINV-UHFFFAOYSA-N 1 0 378.472 3.915 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+](C)C)c1 ZINC000157237124 861309347 /nfs/dbraw/zinc/30/93/47/861309347.db2.gz ABNZRIISPJAUIG-SFTDATJTSA-N 1 0 380.492 3.642 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000891643777 842521566 /nfs/dbraw/zinc/52/15/66/842521566.db2.gz OMWQJZVWWWSNAE-UHFFFAOYSA-N 1 0 382.533 3.947 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC)[NH+]2CCCC2)c1 ZINC000050108062 842524354 /nfs/dbraw/zinc/52/43/54/842524354.db2.gz WZHYGMQPRXBUQU-HXUWFJFHSA-N 1 0 394.475 3.534 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000512144534 842636430 /nfs/dbraw/zinc/63/64/30/842636430.db2.gz BLAWQMZZRAKNMO-KRWDZBQOSA-N 1 0 383.410 3.772 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)C2=O)cc1 ZINC000248741633 842702350 /nfs/dbraw/zinc/70/23/50/842702350.db2.gz MBRKODOCSJSQEE-WTIAFYNJSA-N 1 0 389.499 3.811 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000329370285 861337778 /nfs/dbraw/zinc/33/77/78/861337778.db2.gz JTMBWEXHYZHGOJ-ZOBUZTSGSA-N 1 0 389.525 3.574 20 30 GHEDRO COc1ccc(/C=C(/C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1F ZINC000588439143 842735972 /nfs/dbraw/zinc/73/59/72/842735972.db2.gz KPNRMIGHKOGIMH-ATVHPVEESA-N 1 0 395.478 3.700 20 30 GHEDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)cn1 ZINC000093870530 842813759 /nfs/dbraw/zinc/81/37/59/842813759.db2.gz VGPRHUPILIVQKY-FQEVSTJZSA-N 1 0 386.499 3.935 20 30 GHEDRO Cc1ccc(NC(=O)c2nnc(CN3C[C@@H]4CCCC[N@H+]4C[C@H]3C)s2)cc1 ZINC000329378211 861350518 /nfs/dbraw/zinc/35/05/18/861350518.db2.gz MKNPHJXRGHFJNQ-WBVHZDCISA-N 1 0 385.537 3.541 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000549638685 842862191 /nfs/dbraw/zinc/86/21/91/842862191.db2.gz MKKHEMXAXDOGPZ-OAQYLSRUSA-N 1 0 392.551 3.634 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCC1 ZINC000184655085 842883918 /nfs/dbraw/zinc/88/39/18/842883918.db2.gz JRSUYMPKJIFJII-FUHWJXTLSA-N 1 0 398.551 3.524 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050963708 842951083 /nfs/dbraw/zinc/95/10/83/842951083.db2.gz WREXELCSGYXSMX-FQEVSTJZSA-N 1 0 381.451 3.707 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(SCC#N)c1)[NH+]1CCCC1 ZINC000430766969 842954610 /nfs/dbraw/zinc/95/46/10/842954610.db2.gz INPWUCQSKHOPTK-HXUWFJFHSA-N 1 0 395.528 3.878 20 30 GHEDRO COc1ccc([C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1 ZINC000279406257 843045699 /nfs/dbraw/zinc/04/56/99/843045699.db2.gz NCFOZORJXQNZQK-FQEVSTJZSA-N 1 0 387.487 3.857 20 30 GHEDRO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000279413803 843052313 /nfs/dbraw/zinc/05/23/13/843052313.db2.gz OEPCOEUOWYWPNL-KSEOMHKRSA-N 1 0 393.535 3.884 20 30 GHEDRO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000279413799 843052663 /nfs/dbraw/zinc/05/26/63/843052663.db2.gz OEPCOEUOWYWPNL-FCEUIQTBSA-N 1 0 393.535 3.884 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328950707 843087202 /nfs/dbraw/zinc/08/72/02/843087202.db2.gz WYTDUMDROYWRKZ-CQSZACIVSA-N 1 0 390.434 3.942 20 30 GHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)n2)C1 ZINC000329404334 861377771 /nfs/dbraw/zinc/37/77/71/861377771.db2.gz CHWBDUCQRAIZJM-HYVNUMGLSA-N 1 0 394.585 3.649 20 30 GHEDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)nnn1-c1ccc(F)c(Cl)c1 ZINC000329405765 861379264 /nfs/dbraw/zinc/37/92/64/861379264.db2.gz XDJWAVHOBMFOLO-ZDUSSCGKSA-N 1 0 391.878 3.690 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000512224220 843150737 /nfs/dbraw/zinc/15/07/37/843150737.db2.gz AGCYERGQNCSGBX-APWZRJJASA-N 1 0 388.533 3.964 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000728907198 843249025 /nfs/dbraw/zinc/24/90/25/843249025.db2.gz QAQVWCJCVYYFFY-UHFFFAOYSA-N 1 0 389.544 3.637 20 30 GHEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)C2 ZINC000599602044 861398617 /nfs/dbraw/zinc/39/86/17/861398617.db2.gz MSCRIDVUSURGIF-SZPZYZBQSA-N 1 0 376.460 3.814 20 30 GHEDRO CC(C)[C@H](CNC(=O)Cc1cc(F)cc2c1OCOC2)[NH+]1CCC(C)CC1 ZINC000328980741 843286744 /nfs/dbraw/zinc/28/67/44/843286744.db2.gz RODQFTYVPYJNCV-IBGZPJMESA-N 1 0 378.488 3.948 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(CC#N)c2)CC1 ZINC000512279468 843311517 /nfs/dbraw/zinc/31/15/17/843311517.db2.gz GCBADLFLAQKSFZ-KRWDZBQOSA-N 1 0 394.494 3.525 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662515665 843372037 /nfs/dbraw/zinc/37/20/37/843372037.db2.gz QASXPDPQJPHIBC-BETUJISGSA-N 1 0 398.322 3.943 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662518652 843385160 /nfs/dbraw/zinc/38/51/60/843385160.db2.gz HIBCQCVAFDPGDZ-ZWNOBZJWSA-N 1 0 398.322 3.800 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662520703 843385866 /nfs/dbraw/zinc/38/58/66/843385866.db2.gz LHVXONRYTFVMCX-YPMHNXCESA-N 1 0 398.322 3.800 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000603925921 861411662 /nfs/dbraw/zinc/41/16/62/861411662.db2.gz QZTXLVGODJGVLW-XUZZJYLKSA-N 1 0 388.467 3.686 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000603937388 861418716 /nfs/dbraw/zinc/41/87/16/861418716.db2.gz OZVBBEPDAUNPSM-UHFFFAOYSA-N 1 0 388.943 3.738 20 30 GHEDRO C[C@H](C(=O)NC1CCN(C(=O)C2CC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000329433227 861420039 /nfs/dbraw/zinc/42/00/39/861420039.db2.gz IKKPTYNXZNMGEU-GOSISDBHSA-N 1 0 397.563 3.687 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)C[C@@H]1C ZINC000329435696 861421432 /nfs/dbraw/zinc/42/14/32/861421432.db2.gz LPFJIXVZOVTJGO-AAEUAGOBSA-N 1 0 380.876 3.671 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418709728 843565741 /nfs/dbraw/zinc/56/57/41/843565741.db2.gz DFPNSMOLXWCZRT-CJNGLKHVSA-N 1 0 398.320 3.803 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1OCC ZINC000644841705 843577598 /nfs/dbraw/zinc/57/75/98/843577598.db2.gz RWIVUCFTMPXIAB-DOTOQJQBSA-N 1 0 395.341 3.549 20 30 GHEDRO CN(C)C(=O)COc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922314 843586868 /nfs/dbraw/zinc/58/68/68/843586868.db2.gz XZVGZZSVVQBLQB-QFIPXVFZSA-N 1 0 377.488 3.583 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418768084 843609948 /nfs/dbraw/zinc/60/99/48/843609948.db2.gz OPQRVENKVIMBDY-UHFFFAOYSA-N 1 0 380.536 3.633 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC#Cc1ccccc1 ZINC000510896988 843750778 /nfs/dbraw/zinc/75/07/78/843750778.db2.gz WKSOUDLAVCERSY-QFIPXVFZSA-N 1 0 375.516 3.638 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000512428237 843761051 /nfs/dbraw/zinc/76/10/51/843761051.db2.gz QSJNAJNASJOFIM-AUSIDOKSSA-N 1 0 385.504 3.605 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1F ZINC000419274898 843800811 /nfs/dbraw/zinc/80/08/11/843800811.db2.gz JFDJEBGTGVPBQR-MRXNPFEDSA-N 1 0 377.341 3.611 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000512449906 843839128 /nfs/dbraw/zinc/83/91/28/843839128.db2.gz MJOOAEQRDQZSFZ-FGTMMUONSA-N 1 0 389.565 3.892 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000432795578 843858228 /nfs/dbraw/zinc/85/82/28/843858228.db2.gz XARJVASUJFAVDU-INIZCTEOSA-N 1 0 397.357 3.939 20 30 GHEDRO C=CC(C)(C)C(=O)Nc1cc(OC)c(C(=O)NCC[NH+](CC)CC)cc1Cl ZINC000410627952 843984751 /nfs/dbraw/zinc/98/47/51/843984751.db2.gz VTSLZZZUCXUOJB-UHFFFAOYSA-N 1 0 395.931 3.571 20 30 GHEDRO Cc1oc(-c2ccccc2)nc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047010735 844682783 /nfs/dbraw/zinc/68/27/83/844682783.db2.gz ZNSHEBIGDVQDIE-UHFFFAOYSA-N 1 0 388.471 3.726 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[C@H]2C1 ZINC000329471894 861494883 /nfs/dbraw/zinc/49/48/83/861494883.db2.gz ZWDKGDZTJMRBIO-UWJYYQICSA-N 1 0 376.460 3.922 20 30 GHEDRO C=C(Br)CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000729261445 844817445 /nfs/dbraw/zinc/81/74/45/844817445.db2.gz CMGPCIQTVWZWSY-OAHLLOKOSA-N 1 0 381.314 3.578 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1cccs1 ZINC000610933286 844867539 /nfs/dbraw/zinc/86/75/39/844867539.db2.gz DPXLPEGDAQLRAJ-FXAWDEMLSA-N 1 0 379.529 3.851 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)cc1F ZINC000512653493 844897929 /nfs/dbraw/zinc/89/79/29/844897929.db2.gz FPBCLLYTPNHGQX-DGCLKSJQSA-N 1 0 375.806 3.946 20 30 GHEDRO COC[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000599682403 861523804 /nfs/dbraw/zinc/52/38/04/861523804.db2.gz JBHKDRZUFRXGCL-VGSWGCGISA-N 1 0 377.488 3.911 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000181550381 845095213 /nfs/dbraw/zinc/09/52/13/845095213.db2.gz UGROEEJXKPDLKS-PKOBYXMFSA-N 1 0 386.536 3.572 20 30 GHEDRO C=CCCCCCN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000513318474 845224327 /nfs/dbraw/zinc/22/43/27/845224327.db2.gz VBRJNWVNMBBPEQ-PKTZIBPZSA-N 1 0 394.563 3.841 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179462651 861591357 /nfs/dbraw/zinc/59/13/57/861591357.db2.gz IDXOKHQDMXNCCK-YADHBBJMSA-N 1 0 379.504 3.838 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(C#N)cc2C)cc1OC ZINC000119674913 845832780 /nfs/dbraw/zinc/83/27/80/845832780.db2.gz JQCRPWFWDWQNLU-UHFFFAOYSA-N 1 0 395.503 3.526 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548627505 845912810 /nfs/dbraw/zinc/91/28/10/845912810.db2.gz ONEIWCIZOFEHFA-UHFFFAOYSA-N 1 0 385.895 3.862 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511061778 846171210 /nfs/dbraw/zinc/17/12/10/846171210.db2.gz BJDLEUZHIUEPTA-HNNXBMFYSA-N 1 0 381.442 3.926 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000280514528 846431954 /nfs/dbraw/zinc/43/19/54/846431954.db2.gz DIZWOKCUHXVQNI-IRXDYDNUSA-N 1 0 384.785 3.587 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414541135 846447560 /nfs/dbraw/zinc/44/75/60/846447560.db2.gz PVVCKCSITUQFSC-PZJWPPBQSA-N 1 0 395.551 3.807 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(CO)c2)cc1 ZINC000280622917 846464581 /nfs/dbraw/zinc/46/45/81/846464581.db2.gz RTFVHJPOYCDJCM-UHFFFAOYSA-O 1 0 385.553 3.746 20 30 GHEDRO N#CCc1ccc(OCc2ccccc2NC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000280679467 846497066 /nfs/dbraw/zinc/49/70/66/846497066.db2.gz YPSGWZUGENZKBU-UHFFFAOYSA-N 1 0 390.487 3.715 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[NH+](C)C)c1 ZINC000419402722 846524682 /nfs/dbraw/zinc/52/46/82/846524682.db2.gz PDBZCDZEKIMJIX-YADHBBJMSA-N 1 0 392.503 3.546 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000684782695 846553532 /nfs/dbraw/zinc/55/35/32/846553532.db2.gz OYXHJZKCTQFQGN-IPJJNNNSSA-N 1 0 386.536 3.651 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000760016433 846601342 /nfs/dbraw/zinc/60/13/42/846601342.db2.gz JQEQDVCIDXGMPA-RDPSFJRHSA-N 1 0 378.516 3.640 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502956728 846661393 /nfs/dbraw/zinc/66/13/93/846661393.db2.gz PCRYCCPNMGPEEY-OAHLLOKOSA-N 1 0 384.505 3.688 20 30 GHEDRO Cc1ncc(CO)c(/C=N/C[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1O ZINC000731563357 861714316 /nfs/dbraw/zinc/71/43/16/861714316.db2.gz PNCILNVTNXSIEE-DOUQRPAJSA-N 1 0 387.911 3.715 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1 ZINC000183674122 846778478 /nfs/dbraw/zinc/77/84/78/846778478.db2.gz ICWYVNHQZPNTCO-CQSZACIVSA-N 1 0 379.489 3.793 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000501475716 846954737 /nfs/dbraw/zinc/95/47/37/846954737.db2.gz GXUUKARWYCZIGS-UONOGXRCSA-N 1 0 398.429 3.884 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000478440079 847080272 /nfs/dbraw/zinc/08/02/72/847080272.db2.gz URGAJYUAZDGRGI-LJQANCHMSA-N 1 0 376.909 3.972 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc2ccsc21)C(C)C ZINC000501669388 847092952 /nfs/dbraw/zinc/09/29/52/847092952.db2.gz YQGHUZQWAUNSKF-SFHVURJKSA-N 1 0 385.533 3.655 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000501793913 847195361 /nfs/dbraw/zinc/19/53/61/847195361.db2.gz MMYMHNBKMWAJKY-ZWKOTPCHSA-N 1 0 387.487 3.703 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511124824 847230157 /nfs/dbraw/zinc/23/01/57/847230157.db2.gz MLCAVXKMJGBTND-WBVHZDCISA-N 1 0 381.442 3.893 20 30 GHEDRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237101271 847324120 /nfs/dbraw/zinc/32/41/20/847324120.db2.gz IUZOITAXNDJBSS-HXUWFJFHSA-N 1 0 379.504 3.994 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)cc(OC)c1O ZINC000277656222 847434817 /nfs/dbraw/zinc/43/48/17/847434817.db2.gz NMNUEPWSBAVDHM-LJQANCHMSA-N 1 0 379.460 3.894 20 30 GHEDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502167480 847548913 /nfs/dbraw/zinc/54/89/13/847548913.db2.gz BQYQNQLBKYRBKW-OAHLLOKOSA-N 1 0 378.432 3.878 20 30 GHEDRO COc1cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000420946459 847568491 /nfs/dbraw/zinc/56/84/91/847568491.db2.gz SMKODBYPIDMHPE-LAUBAEHRSA-N 1 0 380.488 3.596 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513735143 847588451 /nfs/dbraw/zinc/58/84/51/847588451.db2.gz JYFSIDSKGOTHBY-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC=C(c2ccc(O)cc2)CC1)C(C)C ZINC000503389905 847647964 /nfs/dbraw/zinc/64/79/64/847647964.db2.gz INPGNANCEOONFM-JOCHJYFZSA-N 1 0 383.536 3.890 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(C3OCCO3)cc2)cc1OCCCC#N ZINC000114216901 847680261 /nfs/dbraw/zinc/68/02/61/847680261.db2.gz SMEZFIRJUPQVSN-UHFFFAOYSA-N 1 0 382.460 3.713 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000503420802 847685060 /nfs/dbraw/zinc/68/50/60/847685060.db2.gz MAIOXAPEEUTIDQ-TZIWHRDSSA-N 1 0 393.535 3.683 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000329088339 847850096 /nfs/dbraw/zinc/85/00/96/847850096.db2.gz HVZHACFCDUWJJX-UHFFFAOYSA-N 1 0 389.883 3.945 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000131962665 861848492 /nfs/dbraw/zinc/84/84/92/861848492.db2.gz MOUQFEVSDZIRAB-HXUWFJFHSA-N 1 0 378.476 3.782 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)c1 ZINC000511193977 848253591 /nfs/dbraw/zinc/25/35/91/848253591.db2.gz VYYVTLFOFUBSCZ-GOSISDBHSA-N 1 0 383.511 3.844 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[N@@H+](CC)CC1 ZINC000582851862 848568259 /nfs/dbraw/zinc/56/82/59/848568259.db2.gz URIKQTPEYNHZRF-UHFFFAOYSA-N 1 0 390.535 3.910 20 30 GHEDRO CCc1nnc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1CC ZINC000431511731 848795464 /nfs/dbraw/zinc/79/54/64/848795464.db2.gz LYYZSSLDPMCHMU-UHFFFAOYSA-N 1 0 389.547 3.966 20 30 GHEDRO Cc1ccccc1C1(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CCOCC1 ZINC000329120596 848943794 /nfs/dbraw/zinc/94/37/94/848943794.db2.gz PYGUIJPFQQACHP-FQEVSTJZSA-N 1 0 387.568 3.667 20 30 GHEDRO COc1ccccc1C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCCO1 ZINC000609432909 849041726 /nfs/dbraw/zinc/04/17/26/849041726.db2.gz ZVOOUERIMKQOOT-SFHVURJKSA-N 1 0 399.516 3.638 20 30 GHEDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000604230520 862000110 /nfs/dbraw/zinc/00/01/10/862000110.db2.gz FFOGXOQOEZKQDD-IBGZPJMESA-N 1 0 378.476 3.547 20 30 GHEDRO C=CCc1cc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cc(OC)c1OC ZINC000732004616 862001663 /nfs/dbraw/zinc/00/16/63/862001663.db2.gz NUORRVWPSAPZEX-UHFFFAOYSA-N 1 0 398.503 3.649 20 30 GHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000535961882 849332704 /nfs/dbraw/zinc/33/27/04/849332704.db2.gz AEVFBCZYHMVQGG-QGZVFWFLSA-N 1 0 393.516 3.771 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2nccs2)C(=S)NCCCSC)cc1 ZINC000278161156 849439046 /nfs/dbraw/zinc/43/90/46/849439046.db2.gz CFVQNJFPFGYNLW-UHFFFAOYSA-O 1 0 394.611 3.665 20 30 GHEDRO Cn1cc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000583300240 849580636 /nfs/dbraw/zinc/58/06/36/849580636.db2.gz BQBILQBYUSDTIF-OAQYLSRUSA-N 1 0 387.487 3.956 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000522530734 862040399 /nfs/dbraw/zinc/04/03/99/862040399.db2.gz SBWFVNRKEBGGLU-UHFFFAOYSA-N 1 0 395.503 3.923 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000278225009 849734022 /nfs/dbraw/zinc/73/40/22/849734022.db2.gz JMKKRZHHEITLLO-IBGZPJMESA-N 1 0 385.533 3.876 20 30 GHEDRO CC[C@@](C)(C#N)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000505540761 849813983 /nfs/dbraw/zinc/81/39/83/849813983.db2.gz ROOPUEPNXZNCIA-DEOSSOPVSA-N 1 0 390.531 3.565 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000583409886 849817828 /nfs/dbraw/zinc/81/78/28/849817828.db2.gz JHFJMYPKLUATRX-UHFFFAOYSA-N 1 0 381.455 3.576 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@@H]3CCN(c4sccc4C#N)C3=O)CCCC2)c1 ZINC000434877967 849846300 /nfs/dbraw/zinc/84/63/00/849846300.db2.gz BGKHUVKKURNZNE-LJQANCHMSA-N 1 0 395.528 3.835 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000425234791 849876078 /nfs/dbraw/zinc/87/60/78/849876078.db2.gz HVKDGNZMTZVMKX-AWEZNQCLSA-N 1 0 380.883 3.892 20 30 GHEDRO CC(C)[NH+](CCN(C)C(=O)c1ccc(COc2ccccc2C#N)o1)C(C)C ZINC000504103143 849900339 /nfs/dbraw/zinc/90/03/39/849900339.db2.gz IXZJJHICEISIGP-UHFFFAOYSA-N 1 0 383.492 3.921 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000425249760 849923784 /nfs/dbraw/zinc/92/37/84/849923784.db2.gz URCMQKWGUJJXTI-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000435033577 850017197 /nfs/dbraw/zinc/01/71/97/850017197.db2.gz KZFJJXDTVOMQOX-QFIPXVFZSA-N 1 0 375.516 3.659 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCC#Cc2cccc(F)c2)[NH+](C)C)cc1 ZINC000504403765 850054360 /nfs/dbraw/zinc/05/43/60/850054360.db2.gz PPNFMOKVFMOANH-QFIPXVFZSA-N 1 0 397.494 3.567 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c(OC)c1 ZINC000518760254 850072948 /nfs/dbraw/zinc/07/29/48/850072948.db2.gz OXGGHNPIOXNBTI-HXUWFJFHSA-N 1 0 380.488 3.743 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000435126624 850107321 /nfs/dbraw/zinc/10/73/21/850107321.db2.gz OVEZYALXFSSLRT-UHFFFAOYSA-N 1 0 399.498 3.954 20 30 GHEDRO COc1ccccc1CC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435136536 850119240 /nfs/dbraw/zinc/11/92/40/850119240.db2.gz DETIPKLUWADQBU-UHFFFAOYSA-N 1 0 375.476 3.542 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000486812636 850119447 /nfs/dbraw/zinc/11/94/47/850119447.db2.gz XOUNWBYGXASJIT-XMSQKQJNSA-N 1 0 391.515 3.880 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)[C@H]1c1cccs1 ZINC000329692940 862095158 /nfs/dbraw/zinc/09/51/58/862095158.db2.gz AUKABFYFWGCLNA-MJKGWSOKSA-N 1 0 377.554 3.592 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC(c2cccc(F)c2)C1 ZINC000518803769 850146954 /nfs/dbraw/zinc/14/69/54/850146954.db2.gz FRQQOGATCCFONM-UHFFFAOYSA-N 1 0 379.479 3.781 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(-c4ccncc4)c3)C2=O)cc1 ZINC000486856518 850170741 /nfs/dbraw/zinc/17/07/41/850170741.db2.gz PFUDYGIFVHXTFH-QHCPKHFHSA-N 1 0 382.467 3.511 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000435162943 850177603 /nfs/dbraw/zinc/17/76/03/850177603.db2.gz RLCPRPLRTRGTQG-UHFFFAOYSA-N 1 0 376.501 3.571 20 30 GHEDRO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424063814 850180302 /nfs/dbraw/zinc/18/03/02/850180302.db2.gz IYAINFVBPKUEKE-GOSISDBHSA-N 1 0 393.516 3.580 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424122936 850237276 /nfs/dbraw/zinc/23/72/76/850237276.db2.gz JKEXBKCEHABQFN-HKUYNNGSSA-N 1 0 383.565 3.743 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H]3CCC[C@H]32)c1C#N ZINC000426457628 850241094 /nfs/dbraw/zinc/24/10/94/850241094.db2.gz GGGGWRYDVXFIGT-FXAWDEMLSA-N 1 0 380.492 3.821 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000424231035 850301075 /nfs/dbraw/zinc/30/10/75/850301075.db2.gz ASPWOEYJOFGPDJ-MLHJIOFPSA-N 1 0 375.586 3.589 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000425372367 850481572 /nfs/dbraw/zinc/48/15/72/850481572.db2.gz NMDVTLCPYTXHAR-GOSISDBHSA-N 1 0 382.426 3.624 20 30 GHEDRO C=CCC1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCOCC1 ZINC000424583233 850537127 /nfs/dbraw/zinc/53/71/27/850537127.db2.gz LFAMJSJMVLXBTJ-IBGZPJMESA-N 1 0 376.928 3.966 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000505061350 850563549 /nfs/dbraw/zinc/56/35/49/850563549.db2.gz KIMLWTXAWZBZLY-DEOSSOPVSA-N 1 0 393.531 3.906 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)C2)C1 ZINC000505701887 850590097 /nfs/dbraw/zinc/59/00/97/850590097.db2.gz RWSKMMHQHFSGFH-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487287791 850650603 /nfs/dbraw/zinc/65/06/03/850650603.db2.gz QFBGTGOVFCYAII-AVRDEDQJSA-N 1 0 393.556 3.818 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000515090457 850687715 /nfs/dbraw/zinc/68/77/15/850687715.db2.gz ZTKMZUVNIXNWMT-UHFFFAOYSA-N 1 0 392.286 3.952 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC#Cc2ccccc2)C1 ZINC000435647710 850737880 /nfs/dbraw/zinc/73/78/80/850737880.db2.gz OEVDRTHBPSLRHV-UHFFFAOYSA-N 1 0 385.511 3.576 20 30 GHEDRO C[C@@](CO)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000174792181 850798006 /nfs/dbraw/zinc/79/80/06/850798006.db2.gz UZVNFJAZQDFGFN-NRFANRHFSA-N 1 0 389.565 3.748 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000435747346 850812736 /nfs/dbraw/zinc/81/27/36/850812736.db2.gz HCMWYNGVKQGIDC-PBHICJAKSA-N 1 0 384.314 3.927 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000515241856 850828547 /nfs/dbraw/zinc/82/85/47/850828547.db2.gz XTDOFIIHOBUKOT-JTSKRJEESA-N 1 0 395.503 3.532 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000505337904 850834047 /nfs/dbraw/zinc/83/40/47/850834047.db2.gz MIHVDOWSTIGFGZ-FQEVSTJZSA-N 1 0 385.870 3.847 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000435884945 850937225 /nfs/dbraw/zinc/93/72/25/850937225.db2.gz YXYOTKWYEBNPHH-UGSOOPFHSA-N 1 0 384.277 3.777 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508450420 862191405 /nfs/dbraw/zinc/19/14/05/862191405.db2.gz YZZPNDXOEXUGLT-OAQYLSRUSA-N 1 0 379.504 3.667 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487936104 851005858 /nfs/dbraw/zinc/00/58/58/851005858.db2.gz PRAWZIVMCWDIHG-CHWSQXEVSA-N 1 0 379.302 3.563 20 30 GHEDRO CCC(CC)(CNC(=O)COc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000732293191 862195427 /nfs/dbraw/zinc/19/54/27/862195427.db2.gz DOTDDTVBXMJICT-SFHVURJKSA-N 1 0 379.504 3.963 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000604440779 862207138 /nfs/dbraw/zinc/20/71/38/862207138.db2.gz SKBQTUIWWWHEAJ-SOUVJXGZSA-N 1 0 386.565 3.649 20 30 GHEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000604483241 862224373 /nfs/dbraw/zinc/22/43/73/862224373.db2.gz IOZLNCDBTMWKSC-MRXNPFEDSA-N 1 0 394.544 3.864 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000550064159 851340481 /nfs/dbraw/zinc/34/04/81/851340481.db2.gz XMUCLAXFUATOIG-NZQKXSOJSA-N 1 0 385.552 3.669 20 30 GHEDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1(C)C ZINC000436397186 851570505 /nfs/dbraw/zinc/57/05/05/851570505.db2.gz ZVOSORAODTZTRP-UPVQGACJSA-N 1 0 394.515 3.793 20 30 GHEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000425554121 851620967 /nfs/dbraw/zinc/62/09/67/851620967.db2.gz VHUOMNZOHKSHIW-GOSISDBHSA-N 1 0 375.394 3.668 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000550138967 851729164 /nfs/dbraw/zinc/72/91/64/851729164.db2.gz NFKSCDOMXMQYOC-MRXNPFEDSA-N 1 0 386.305 3.597 20 30 GHEDRO C[C@H](CNC(=O)N[C@H]1c2ccccc2CC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000329744176 862286937 /nfs/dbraw/zinc/28/69/37/862286937.db2.gz XRQVFYXONRMGSG-NQIIRXRSSA-N 1 0 385.552 3.705 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cccc(F)c2C#N)CC1 ZINC000428315307 862289843 /nfs/dbraw/zinc/28/98/43/862289843.db2.gz BPLDLADWKJKPDN-INIZCTEOSA-N 1 0 384.474 3.829 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC(F)F)c(F)c1 ZINC000519564221 851877029 /nfs/dbraw/zinc/87/70/29/851877029.db2.gz BZXFGDCKCRODBG-UHFFFAOYSA-N 1 0 377.410 3.863 20 30 GHEDRO CC(C)[C@H](NC(=O)CN(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000519566632 851900593 /nfs/dbraw/zinc/90/05/93/851900593.db2.gz XYZYHAXAVAEJNZ-QHCPKHFHSA-N 1 0 379.504 3.520 20 30 GHEDRO N#Cc1ccsc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000604568233 862308397 /nfs/dbraw/zinc/30/83/97/862308397.db2.gz VZKOEHONTUCVEI-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000438120461 852026499 /nfs/dbraw/zinc/02/64/99/852026499.db2.gz WKMOZLZQXUTNBH-UHFFFAOYSA-N 1 0 379.504 3.862 20 30 GHEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000329778218 862315945 /nfs/dbraw/zinc/31/59/45/862315945.db2.gz KZKGASMSXKTLHB-APWZRJJASA-N 1 0 393.487 3.571 20 30 GHEDRO C=CCOc1ccc(CN[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cc1OC ZINC000414889870 852247730 /nfs/dbraw/zinc/24/77/30/852247730.db2.gz SWOAVLBDRNMHBN-RTWAWAEBSA-N 1 0 382.504 3.504 20 30 GHEDRO CC[N@H+](CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)CCC(F)(F)F ZINC000425987382 852283259 /nfs/dbraw/zinc/28/32/59/852283259.db2.gz AHVBBRXSCDAKHK-ZWKOTPCHSA-N 1 0 396.457 3.742 20 30 GHEDRO CCc1c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cnn1-c1ccccc1 ZINC000329816360 862341363 /nfs/dbraw/zinc/34/13/63/862341363.db2.gz VVZFIEJHHRXULZ-UHFFFAOYSA-N 1 0 381.524 3.931 20 30 GHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)CCc1ccc3c(c1)OCO3)CC2 ZINC000329817484 862342101 /nfs/dbraw/zinc/34/21/01/862342101.db2.gz WREPMWNYBMAJIZ-QRQLOZEOSA-N 1 0 387.524 3.598 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000329818869 862342382 /nfs/dbraw/zinc/34/23/82/862342382.db2.gz FWCLKYSVUQJNSE-INIZCTEOSA-N 1 0 388.537 3.985 20 30 GHEDRO CC(=O)Nc1ccc(CCNC(NCCc2cccs2)=[NH+]C(C)(C)C)cc1 ZINC000912507578 852312443 /nfs/dbraw/zinc/31/24/43/852312443.db2.gz XTSDFSDMJRZQQZ-UHFFFAOYSA-N 1 0 386.565 3.825 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000329832503 862357604 /nfs/dbraw/zinc/35/76/04/862357604.db2.gz KXVYLXXMFZPNGC-CLCXKQKWSA-N 1 0 388.487 3.522 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000425646081 852465747 /nfs/dbraw/zinc/46/57/47/852465747.db2.gz AXGDPQKCDQQPAC-KRWDZBQOSA-N 1 0 386.565 3.622 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cc1C#N ZINC000383075488 852500817 /nfs/dbraw/zinc/50/08/17/852500817.db2.gz VLINESCXWXPPGN-MRXNPFEDSA-N 1 0 385.309 3.674 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000516417227 852513740 /nfs/dbraw/zinc/51/37/40/852513740.db2.gz QVXNERBDSUGMHD-HUUJSLGLSA-N 1 0 379.529 3.923 20 30 GHEDRO N#Cc1ccc(NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000029170708 852594052 /nfs/dbraw/zinc/59/40/52/852594052.db2.gz QMENSUAYHIMFOK-UHFFFAOYSA-N 1 0 389.425 3.596 20 30 GHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438639474 852660586 /nfs/dbraw/zinc/66/05/86/852660586.db2.gz WKJWKMQBICNZDC-QGZVFWFLSA-N 1 0 390.409 3.871 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000489910086 852661136 /nfs/dbraw/zinc/66/11/36/852661136.db2.gz YYLIGTHEEGBUPM-MRXNPFEDSA-N 1 0 392.425 3.959 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[NH+](C)C)cc1 ZINC000489964348 852677140 /nfs/dbraw/zinc/67/71/40/852677140.db2.gz KXWZELDARJPJAA-JTHBVZDNSA-N 1 0 393.531 3.965 20 30 GHEDRO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000489946723 852690685 /nfs/dbraw/zinc/69/06/85/852690685.db2.gz MWBOVLMETYERPR-IRLDBZIGSA-N 1 0 379.479 3.981 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2coc3ccc4ccccc4c23)c1C#N ZINC000516554563 852737074 /nfs/dbraw/zinc/73/70/74/852737074.db2.gz RUZLQOWEKGJQFZ-UHFFFAOYSA-N 1 0 387.443 3.514 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C(C)C)c2ccccc21 ZINC000669032579 852765993 /nfs/dbraw/zinc/76/59/93/852765993.db2.gz OWTBQMBLFSLBEK-QFUCXCTJSA-N 1 0 393.535 3.891 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC2(CCC2)c2ccccc21 ZINC000669032550 852766317 /nfs/dbraw/zinc/76/63/17/852766317.db2.gz NXJVOEOBNDBEBB-XLIONFOSSA-N 1 0 391.519 3.573 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC000669033634 852784579 /nfs/dbraw/zinc/78/45/79/852784579.db2.gz VVCDQVFWFUQWBU-HKBOAZHASA-N 1 0 393.535 3.650 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](C(C)(C)C)CC1 ZINC000669033170 852791082 /nfs/dbraw/zinc/79/10/82/852791082.db2.gz JBUGFBQLLBSGMF-OTWHNJEPSA-N 1 0 387.572 3.652 20 30 GHEDRO CC1(C)CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC(C)(C)C1 ZINC000329884350 862396277 /nfs/dbraw/zinc/39/62/77/862396277.db2.gz SJECXPISOGKOQD-UHFFFAOYSA-N 1 0 387.568 3.815 20 30 GHEDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000516661270 852830713 /nfs/dbraw/zinc/83/07/13/852830713.db2.gz JVVKISILOJAOKL-UHFFFAOYSA-N 1 0 377.370 3.642 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[NH+]2CCCC2)o1 ZINC000506356959 852848552 /nfs/dbraw/zinc/84/85/52/852848552.db2.gz GWOIWRMNKIXACG-KNQAVFIVSA-N 1 0 395.503 3.816 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000912930237 852896301 /nfs/dbraw/zinc/89/63/01/852896301.db2.gz ITMWVAMIIGGTML-UHFFFAOYSA-N 1 0 376.504 3.815 20 30 GHEDRO C=CC[C@H](CC)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000507451725 852926573 /nfs/dbraw/zinc/92/65/73/852926573.db2.gz UUADZWRGQUDUMH-AEFFLSMTSA-N 1 0 376.520 3.683 20 30 GHEDRO CCN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000507476646 852950205 /nfs/dbraw/zinc/95/02/05/852950205.db2.gz GMZZBBZUQIJAII-PXNSSMCTSA-N 1 0 379.479 3.924 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000437350344 853030268 /nfs/dbraw/zinc/03/02/68/853030268.db2.gz WVVAMJOPIMORII-RTWAWAEBSA-N 1 0 378.472 3.959 20 30 GHEDRO N#Cc1csc(C[NH2+]CCSCCOc2cccc(Br)c2)n1 ZINC000516819455 853037457 /nfs/dbraw/zinc/03/74/57/853037457.db2.gz OIBYQPKWLXMLSN-UHFFFAOYSA-N 1 0 398.351 3.679 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC1 ZINC000438990853 853167154 /nfs/dbraw/zinc/16/71/54/853167154.db2.gz KXVOXJGWPXPRDX-GOSISDBHSA-N 1 0 382.595 3.800 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000437877925 853189697 /nfs/dbraw/zinc/18/96/97/853189697.db2.gz ZBFNJGRRQKVKMF-INIZCTEOSA-N 1 0 398.429 3.837 20 30 GHEDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000439012582 853200651 /nfs/dbraw/zinc/20/06/51/853200651.db2.gz AIMPDQVYYPGLSH-OAHLLOKOSA-N 1 0 378.432 3.878 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)NCCSCc2ccccc2C#N)([NH+](C)C)C1 ZINC000518366639 853253993 /nfs/dbraw/zinc/25/39/93/853253993.db2.gz ZGOZGWGQYBCHRN-UWJYYQICSA-N 1 0 388.581 3.601 20 30 GHEDRO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCOCC1 ZINC000329950856 862451127 /nfs/dbraw/zinc/45/11/27/862451127.db2.gz MBAMDFVCVVVBPX-KBRMVUAJSA-N 1 0 385.552 3.891 20 30 GHEDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1coc(C2CCOCC2)n1 ZINC000329950339 862451554 /nfs/dbraw/zinc/45/15/54/862451554.db2.gz MHDKZNBDFSFSHT-UHFFFAOYSA-N 1 0 389.521 3.847 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000437640195 853352325 /nfs/dbraw/zinc/35/23/25/853352325.db2.gz FLHOYASMEHOXLE-FCHUYYIVSA-N 1 0 385.552 3.843 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425854492 853403111 /nfs/dbraw/zinc/40/31/11/853403111.db2.gz KHZHGPLCOXUZMW-FKBYEOEOSA-N 1 0 385.552 3.664 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057349 853429989 /nfs/dbraw/zinc/42/99/89/853429989.db2.gz LGAMCPFEGMLBBM-JTHBVZDNSA-N 1 0 386.580 3.743 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057346 853430078 /nfs/dbraw/zinc/43/00/78/853430078.db2.gz LGAMCPFEGMLBBM-FYYLOGMGSA-N 1 0 386.580 3.743 20 30 GHEDRO CC[C@](C)(O)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000439273177 853499032 /nfs/dbraw/zinc/49/90/32/853499032.db2.gz LRPNIRDDQVTVPV-QHCPKHFHSA-N 1 0 379.504 3.596 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157080830 853511239 /nfs/dbraw/zinc/51/12/39/853511239.db2.gz WCXQKZLKYGRUMN-IRLDBZIGSA-N 1 0 396.579 3.656 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261948283 853536165 /nfs/dbraw/zinc/53/61/65/853536165.db2.gz GOGBCRDWXCLRPK-JOCHJYFZSA-N 1 0 398.482 3.591 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000506140420 853572641 /nfs/dbraw/zinc/57/26/41/853572641.db2.gz BPMILXQDOSVZMT-MRXNPFEDSA-N 1 0 385.393 3.999 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506565556 853622529 /nfs/dbraw/zinc/62/25/29/853622529.db2.gz VPJUQNKOFYJXPK-QNWVGRARSA-N 1 0 386.580 3.741 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)NC(C)(C)C)cc1 ZINC000055014296 853634452 /nfs/dbraw/zinc/63/44/52/853634452.db2.gz HDXGINODYGMUPJ-UHFFFAOYSA-O 1 0 399.536 3.982 20 30 GHEDRO C[C@H](SCc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044566421 853660369 /nfs/dbraw/zinc/66/03/69/853660369.db2.gz QTIXXWBIBVRNAS-SFHVURJKSA-N 1 0 381.545 3.770 20 30 GHEDRO CCOc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000055158408 853684465 /nfs/dbraw/zinc/68/44/65/853684465.db2.gz MWDOHESBJSMXFB-UHFFFAOYSA-N 1 0 391.515 3.624 20 30 GHEDRO N#Cc1ncc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000571140040 853766595 /nfs/dbraw/zinc/76/65/95/853766595.db2.gz BMYMOEKWJJHWAG-CYBMUJFWSA-N 1 0 389.912 3.702 20 30 GHEDRO C[NH+](C)C1(CNC(=O)C2CCC(NC(=O)C3CC3)CC2)Cc2ccccc2C1 ZINC000330018624 862510133 /nfs/dbraw/zinc/51/01/33/862510133.db2.gz TVAYGFWAYVLUMP-UHFFFAOYSA-N 1 0 383.536 3.967 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc(OC)c1O ZINC000604766625 862504026 /nfs/dbraw/zinc/50/40/26/862504026.db2.gz YADNDAYFZYGDBE-YLJYHZDGSA-N 1 0 395.421 3.753 20 30 GHEDRO N#CC1CCC(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000441012829 853831785 /nfs/dbraw/zinc/83/17/85/853831785.db2.gz SIVIWXACGSCKMB-UHFFFAOYSA-N 1 0 382.552 3.666 20 30 GHEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481919844 862516553 /nfs/dbraw/zinc/51/65/53/862516553.db2.gz DTGKDNGMNDWNPN-VFNWGFHPSA-N 1 0 383.517 3.585 20 30 GHEDRO CC(C)CN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000520235711 853980194 /nfs/dbraw/zinc/98/01/94/853980194.db2.gz UOLNXCYTCTTWPM-UHFFFAOYSA-N 1 0 392.547 3.854 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000571812489 854164879 /nfs/dbraw/zinc/16/48/79/854164879.db2.gz LFLVRIGUDDCJPW-IRXDYDNUSA-N 1 0 393.491 3.987 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000055936215 854259330 /nfs/dbraw/zinc/25/93/30/854259330.db2.gz NHLKGYCFAIXYDR-UHFFFAOYSA-N 1 0 384.568 3.604 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000572130993 854408602 /nfs/dbraw/zinc/40/86/02/854408602.db2.gz VVMQHUFPNKFSJI-VQIMIIECSA-N 1 0 378.501 3.925 20 30 GHEDRO Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000328657449 854491676 /nfs/dbraw/zinc/49/16/76/854491676.db2.gz PAIWVOBIGOUJLO-SFTDATJTSA-N 1 0 395.551 3.579 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328742255 854524336 /nfs/dbraw/zinc/52/43/36/854524336.db2.gz MSSZTLLAVKQMQL-RBUKOAKNSA-N 1 0 384.524 3.586 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000328774079 854536601 /nfs/dbraw/zinc/53/66/01/854536601.db2.gz RXSDAMDJIJAWTG-AABGKKOBSA-N 1 0 398.551 3.784 20 30 GHEDRO Cc1nc(-c2ccc(NC(=O)N[C@H](C)C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc(=O)[nH]1 ZINC000328814473 854546702 /nfs/dbraw/zinc/54/67/02/854546702.db2.gz GAXAFFMQUIIKKO-BZUAXINKSA-N 1 0 397.523 3.850 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)C2)CC1 ZINC000328857440 854580324 /nfs/dbraw/zinc/58/03/24/854580324.db2.gz KQBJGVHREHFITB-QGZVFWFLSA-N 1 0 397.548 3.837 20 30 GHEDRO Cc1ccc(NC(=O)C2CC[NH+](CC(=O)N(C)CC3CCCCC3)CC2)nc1 ZINC000328874049 854592593 /nfs/dbraw/zinc/59/25/93/854592593.db2.gz JIKFYWTYCTZBCT-UHFFFAOYSA-N 1 0 386.540 3.729 20 30 GHEDRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)on1 ZINC000328893590 854599274 /nfs/dbraw/zinc/59/92/74/854599274.db2.gz ULZWAYMXHKQCTR-FQEVSTJZSA-N 1 0 398.507 3.707 20 30 GHEDRO O=C(CCC(=O)N1CCSc2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000330114259 862583849 /nfs/dbraw/zinc/58/38/49/862583849.db2.gz SRROVIJDNZHPKD-UHFFFAOYSA-N 1 0 387.549 3.879 20 30 GHEDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000328987493 854642300 /nfs/dbraw/zinc/64/23/00/854642300.db2.gz UOXHHCBSKGQNKU-VQTJNVASSA-N 1 0 386.540 3.604 20 30 GHEDRO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328987898 854642374 /nfs/dbraw/zinc/64/23/74/854642374.db2.gz RNXVPZMSJAIWBF-UWAICQJNSA-N 1 0 377.529 3.715 20 30 GHEDRO C=CC(C)(C)CC[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000624036984 862599532 /nfs/dbraw/zinc/59/95/32/862599532.db2.gz GXBKGLOAUIUQAQ-LJQANCHMSA-N 1 0 377.960 3.770 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000589261221 854765241 /nfs/dbraw/zinc/76/52/41/854765241.db2.gz FUTMNPPRTDWTEQ-ZACQAIPSSA-N 1 0 375.538 3.502 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)CC2 ZINC000589343376 854799852 /nfs/dbraw/zinc/79/98/52/854799852.db2.gz VKDOGQVSNLZJMR-OXQOHEQNSA-N 1 0 385.305 3.749 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC000765782108 854813552 /nfs/dbraw/zinc/81/35/52/854813552.db2.gz JDUFWFAVHOPLBF-AVRDEDQJSA-N 1 0 393.572 3.617 20 30 GHEDRO N#CCOc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000732940167 862608477 /nfs/dbraw/zinc/60/84/77/862608477.db2.gz MFHGAGLUEBMMOQ-UHFFFAOYSA-N 1 0 391.515 3.824 20 30 GHEDRO Cc1ccc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1Cl ZINC000331198819 854824063 /nfs/dbraw/zinc/82/40/63/854824063.db2.gz VNZALPBMJTWJGH-UHFFFAOYSA-N 1 0 379.932 3.580 20 30 GHEDRO Cc1c(CSC(C)C)cccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000331206713 854825449 /nfs/dbraw/zinc/82/54/49/854825449.db2.gz ZXBPEMJYTYKLTR-CVEARBPZSA-N 1 0 379.570 3.569 20 30 GHEDRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331287085 854831326 /nfs/dbraw/zinc/83/13/26/854831326.db2.gz NSQRDUMHEGGRRY-FQEVSTJZSA-N 1 0 392.569 3.743 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000331309675 854835331 /nfs/dbraw/zinc/83/53/31/854835331.db2.gz YCTVVWAAVCCPOV-UHFFFAOYSA-N 1 0 384.274 3.784 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1C ZINC000572830435 855007163 /nfs/dbraw/zinc/00/71/63/855007163.db2.gz SCAFYGQHMSCJRN-CEMLEFRQSA-N 1 0 383.536 3.566 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000067378565 855029822 /nfs/dbraw/zinc/02/98/22/855029822.db2.gz XWRMHCMHKPQCSQ-HXUWFJFHSA-N 1 0 387.524 3.654 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C[C@H](C)c1ccccc1 ZINC000669335812 855044257 /nfs/dbraw/zinc/04/42/57/855044257.db2.gz YFQXULLVRMDPQE-TYPHKJRUSA-N 1 0 395.551 3.630 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCc2ccccc21 ZINC000669335826 855044535 /nfs/dbraw/zinc/04/45/35/855044535.db2.gz YLFYKEKKEKCRNA-GIVPXCGWSA-N 1 0 393.535 3.514 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579372677 855068910 /nfs/dbraw/zinc/06/89/10/855068910.db2.gz QONPKWHUMDSTPM-HXUWFJFHSA-N 1 0 379.460 3.632 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000589643740 855086958 /nfs/dbraw/zinc/08/69/58/855086958.db2.gz CLKMWJNONWJPLI-YLJYHZDGSA-N 1 0 378.524 3.559 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000589742987 855119983 /nfs/dbraw/zinc/11/99/83/855119983.db2.gz QBUJAVVKECRUQQ-YJMBLLCNSA-N 1 0 383.536 3.585 20 30 GHEDRO Cc1cc(F)ccc1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000589998588 855220011 /nfs/dbraw/zinc/22/00/11/855220011.db2.gz LVDWZSSWHSNWSK-NRFANRHFSA-N 1 0 382.479 3.820 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)[C@@H]2C1 ZINC000590045671 855249045 /nfs/dbraw/zinc/24/90/45/855249045.db2.gz SVKKBOGXAPLJQJ-HNAYVOBHSA-N 1 0 381.863 3.780 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(OCCC(C)C)c(OC)c2)CC1 ZINC000057175295 855258458 /nfs/dbraw/zinc/25/84/58/855258458.db2.gz IMFMMPXODVKTMS-GOSISDBHSA-N 1 0 386.536 3.643 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)CC1(C#N)CC1)c1cccc(Br)c1 ZINC000590196060 855317764 /nfs/dbraw/zinc/31/77/64/855317764.db2.gz XYNNQIFMITYFHG-UHFFFAOYSA-N 1 0 378.314 3.818 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000190521099 855410939 /nfs/dbraw/zinc/41/09/39/855410939.db2.gz XERJKUMIVIHQIO-UHFFFAOYSA-N 1 0 383.458 3.976 20 30 GHEDRO CC1(C)CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000441506500 855533046 /nfs/dbraw/zinc/53/30/46/855533046.db2.gz OYKJQDJIOPFXDC-UHFFFAOYSA-N 1 0 387.487 3.705 20 30 GHEDRO Cc1[nH+]c(CN=Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c2ccccn12 ZINC000733079413 862695059 /nfs/dbraw/zinc/69/50/59/862695059.db2.gz AATDDOQFJWEUCK-UHFFFAOYSA-N 1 0 397.364 3.960 20 30 GHEDRO N#CCc1cccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000590854588 855629865 /nfs/dbraw/zinc/62/98/65/855629865.db2.gz BTWRMQPPPKPNRA-UHFFFAOYSA-N 1 0 380.414 3.679 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401309 855637494 /nfs/dbraw/zinc/63/74/94/855637494.db2.gz JTQDTAHPDYPSAB-UZLBHIALSA-N 1 0 376.928 3.675 20 30 GHEDRO CC(C)[C@H](NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000330263128 862704312 /nfs/dbraw/zinc/70/43/12/862704312.db2.gz WDKNHOZMPWZXJX-GCJKJVERSA-N 1 0 389.540 3.528 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000330262303 862704367 /nfs/dbraw/zinc/70/43/67/862704367.db2.gz UVAWWGPJGAFDCY-FQEVSTJZSA-N 1 0 379.508 3.602 20 30 GHEDRO Cc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)n2c3ccccc3nc2c1C#N ZINC000301276676 855651934 /nfs/dbraw/zinc/65/19/34/855651934.db2.gz MGYZFXZZDAOKDO-KRWDZBQOSA-N 1 0 389.503 3.580 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000301287595 855654480 /nfs/dbraw/zinc/65/44/80/855654480.db2.gz MJFUXAHAEBEIFI-UHFFFAOYSA-N 1 0 378.373 3.823 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)C[C@@H](C)NC(=O)C3CCCC3)C1)CCCC2 ZINC000330266933 862705505 /nfs/dbraw/zinc/70/55/05/862705505.db2.gz HVTNMEMMKFHQCX-CRAIPNDOSA-N 1 0 386.540 3.769 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000330264346 862705573 /nfs/dbraw/zinc/70/55/73/862705573.db2.gz XUTWQHIPBFXSFC-QGZVFWFLSA-N 1 0 381.524 3.706 20 30 GHEDRO N#Cc1cccc(Cl)c1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301397112 855688174 /nfs/dbraw/zinc/68/81/74/855688174.db2.gz GTMDPRXVBYHPHY-SFHVURJKSA-N 1 0 395.938 3.645 20 30 GHEDRO CCOc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301448714 855695616 /nfs/dbraw/zinc/69/56/16/855695616.db2.gz RQQDOQBKTJPYDK-UHFFFAOYSA-N 1 0 380.448 3.577 20 30 GHEDRO Cc1nsc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)c1C#N ZINC000590991928 855713009 /nfs/dbraw/zinc/71/30/09/855713009.db2.gz ANICLMLSLGIJHU-CQSZACIVSA-N 1 0 384.505 3.829 20 30 GHEDRO Cc1oc(NC(=O)CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000057844059 855739491 /nfs/dbraw/zinc/73/94/91/855739491.db2.gz XHFMDQBNAGKYOT-UHFFFAOYSA-N 1 0 394.519 3.551 20 30 GHEDRO C#CCOCCC(=O)OC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000166581386 855822479 /nfs/dbraw/zinc/82/24/79/855822479.db2.gz QCHRIEXVHKCXOT-LPHOPBHVSA-N 1 0 383.410 3.671 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000108346616 855835449 /nfs/dbraw/zinc/83/54/49/855835449.db2.gz OPHGTEGQCBHZQO-IBGZPJMESA-N 1 0 379.529 3.922 20 30 GHEDRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Br)cc2C#N)C1 ZINC000554222181 855859017 /nfs/dbraw/zinc/85/90/17/855859017.db2.gz FQQYTSBOWGHRES-ZBFHGGJFSA-N 1 0 392.341 3.838 20 30 GHEDRO N#Cc1cccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000108399464 855862712 /nfs/dbraw/zinc/86/27/12/855862712.db2.gz RQIZHCPYYPPQFA-UHFFFAOYSA-N 1 0 397.544 3.554 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754683 855866633 /nfs/dbraw/zinc/86/66/33/855866633.db2.gz KCEMWDYWOXITPQ-UHFFFAOYSA-N 1 0 391.519 3.539 20 30 GHEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1 ZINC000591278284 855881228 /nfs/dbraw/zinc/88/12/28/855881228.db2.gz CPIKMHNIOBITAZ-DCPHZVHLSA-N 1 0 398.894 3.575 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1F ZINC000591288185 855885876 /nfs/dbraw/zinc/88/58/76/855885876.db2.gz UMSGKJXZJANPGG-KBXCAEBGSA-N 1 0 380.423 3.705 20 30 GHEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000591288167 855886188 /nfs/dbraw/zinc/88/61/88/855886188.db2.gz LJBKEZRJAQXCPU-HOCLYGCPSA-N 1 0 386.402 3.653 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045793565 855929649 /nfs/dbraw/zinc/92/96/49/855929649.db2.gz NGUWPNWKINGKPZ-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)Cc2ccccc2)sc2c1CCCCC2 ZINC000302803052 855938800 /nfs/dbraw/zinc/93/88/00/855938800.db2.gz FWFVVVJIPKQBOD-UHFFFAOYSA-N 1 0 397.544 3.712 20 30 GHEDRO C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591356687 855950379 /nfs/dbraw/zinc/95/03/79/855950379.db2.gz YHBZTOFYLVJIIL-UZFJHSOTSA-N 1 0 388.515 3.974 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 ZINC000760601778 855981621 /nfs/dbraw/zinc/98/16/21/855981621.db2.gz XAJRQXDILDRDRR-UHFFFAOYSA-N 1 0 390.483 3.899 20 30 GHEDRO CO[C@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000171172573 856011242 /nfs/dbraw/zinc/01/12/42/856011242.db2.gz QNFYBNWFNISQIM-QGZVFWFLSA-N 1 0 380.492 3.861 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)cc1 ZINC000045877731 856137816 /nfs/dbraw/zinc/13/78/16/856137816.db2.gz DWKMCPZIXTVJRZ-UHFFFAOYSA-N 1 0 384.483 3.901 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000591614470 856177165 /nfs/dbraw/zinc/17/71/65/856177165.db2.gz FBLWEMOHFNOCLM-ZDUSSCGKSA-N 1 0 398.320 3.769 20 30 GHEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000181135789 862766724 /nfs/dbraw/zinc/76/67/24/862766724.db2.gz NOZGCNZUTWFYBL-FYYLOGMGSA-N 1 0 397.494 3.762 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000045927717 856266041 /nfs/dbraw/zinc/26/60/41/856266041.db2.gz RXLVCJPLFTVZEI-VGOFRKELSA-N 1 0 395.503 3.533 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cc(Br)ccc1F ZINC000109405280 856296600 /nfs/dbraw/zinc/29/66/00/856296600.db2.gz PKVBTISFBRIKCZ-UHFFFAOYSA-N 1 0 390.256 3.920 20 30 GHEDRO CCOCc1ccccc1CNC(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060469543 856305102 /nfs/dbraw/zinc/30/51/02/856305102.db2.gz ZEXSSZHUQKGJNY-GOSISDBHSA-N 1 0 379.504 3.794 20 30 GHEDRO CC[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477375 856306858 /nfs/dbraw/zinc/30/68/58/856306858.db2.gz YFGIOVVDMHCCHA-OAHLLOKOSA-N 1 0 387.430 3.859 20 30 GHEDRO O=C(CC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)Nc1cc(F)cc(F)c1 ZINC000674498397 856352198 /nfs/dbraw/zinc/35/21/98/856352198.db2.gz YLJRYRALZMADSO-TXEJJXNPSA-N 1 0 390.274 3.966 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)c2)cc1 ZINC000172207543 856371178 /nfs/dbraw/zinc/37/11/78/856371178.db2.gz LTOGKYVGDSAALO-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(C)C ZINC000046018412 856382290 /nfs/dbraw/zinc/38/22/90/856382290.db2.gz SJCXNDJFYRBDFO-YJBOKZPZSA-N 1 0 387.549 3.548 20 30 GHEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000591852724 856386833 /nfs/dbraw/zinc/38/68/33/856386833.db2.gz DKICSFXCELNZFN-QGZVFWFLSA-N 1 0 388.895 3.679 20 30 GHEDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C(C)(C)C#N)cc1 ZINC000591855469 856388182 /nfs/dbraw/zinc/38/81/82/856388182.db2.gz CJRUAEOQYZCELW-UHFFFAOYSA-N 1 0 375.472 3.606 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000172424463 856432709 /nfs/dbraw/zinc/43/27/09/856432709.db2.gz VRUKFHXRSFKTCD-UHFFFAOYSA-N 1 0 375.516 3.769 20 30 GHEDRO N#C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(Br)cc1 ZINC000499383207 856452607 /nfs/dbraw/zinc/45/26/07/856452607.db2.gz NNFFKCNCHGREDX-GOSISDBHSA-N 1 0 395.260 3.689 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000159533962 862799826 /nfs/dbraw/zinc/79/98/26/862799826.db2.gz XDEZFOWVYSDYIY-JXFKEZNVSA-N 1 0 382.508 3.826 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)c(Cl)n2)CC1 ZINC001128770005 856511797 /nfs/dbraw/zinc/51/17/97/856511797.db2.gz BHWFODNWWMMNAA-UHFFFAOYSA-N 1 0 382.895 3.769 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000172766017 856597557 /nfs/dbraw/zinc/59/75/57/856597557.db2.gz DQLBFOCAKHVSLU-UHFFFAOYSA-N 1 0 378.428 3.740 20 30 GHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000485468433 856629484 /nfs/dbraw/zinc/62/94/84/856629484.db2.gz RVTJMXZHIALXRB-KRWDZBQOSA-N 1 0 382.533 3.752 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000281053906 862822972 /nfs/dbraw/zinc/82/29/72/862822972.db2.gz YFDKRNKRDZHMGZ-FCHUYYIVSA-N 1 0 385.552 3.542 20 30 GHEDRO CCCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCc2ncsc2C1 ZINC000592188930 856687369 /nfs/dbraw/zinc/68/73/69/856687369.db2.gz RRTBXBARQLEARK-MOPGFXCFSA-N 1 0 399.560 3.608 20 30 GHEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000111055619 856760672 /nfs/dbraw/zinc/76/06/72/856760672.db2.gz SGYDIKRPLAHNAS-OALUTQOASA-N 1 0 379.508 3.877 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000427819587 856766003 /nfs/dbraw/zinc/76/60/03/856766003.db2.gz RAXLAOFZWUZAMP-PZROIBLQSA-N 1 0 389.908 3.892 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000592302012 856771586 /nfs/dbraw/zinc/77/15/86/856771586.db2.gz QPYQSBDDDNAGSY-UHFFFAOYSA-N 1 0 385.430 3.767 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)NCc1cccs1 ZINC000592374919 856787920 /nfs/dbraw/zinc/78/79/20/856787920.db2.gz QNHFLEPORLIYRU-MRXNPFEDSA-N 1 0 381.423 3.823 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000592379072 856823628 /nfs/dbraw/zinc/82/36/28/856823628.db2.gz KWOGERFQWJGJNE-CTNGQTDRSA-N 1 0 383.536 3.623 20 30 GHEDRO Cc1cnn(CCCCC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000111210670 856858139 /nfs/dbraw/zinc/85/81/39/856858139.db2.gz HIHMGZJDGICRSJ-UHFFFAOYSA-N 1 0 388.519 3.604 20 30 GHEDRO COCC[N@H+](CCOc1ccc2c(C)cc(=O)oc2c1)Cc1ccc(C#N)cc1 ZINC000157666213 856861751 /nfs/dbraw/zinc/86/17/51/856861751.db2.gz YDADSPSXWKPCCY-UHFFFAOYSA-N 1 0 392.455 3.501 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000427910736 856869224 /nfs/dbraw/zinc/86/92/24/856869224.db2.gz XZAJTPFYWIJOCL-OAHLLOKOSA-N 1 0 382.895 3.911 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(COCc3ccccc3)cc2)CC1 ZINC000592487719 856896868 /nfs/dbraw/zinc/89/68/68/856896868.db2.gz WWTNAVURPADEBL-UHFFFAOYSA-N 1 0 393.531 3.853 20 30 GHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159601823 862852094 /nfs/dbraw/zinc/85/20/94/862852094.db2.gz XCJSDZKHKSVYCK-KGLIPLIRSA-N 1 0 383.330 3.768 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000245594092 856993260 /nfs/dbraw/zinc/99/32/60/856993260.db2.gz BNELSZDYMUQSKM-LPHOPBHVSA-N 1 0 386.496 3.641 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)Cc3c(C)cc(C#N)cc3C)CC2)c1 ZINC000906340395 857014802 /nfs/dbraw/zinc/01/48/02/857014802.db2.gz MYTNPFLBIQYHSG-UHFFFAOYSA-N 1 0 391.515 3.507 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Br)cc1 ZINC000007915416 857030731 /nfs/dbraw/zinc/03/07/31/857030731.db2.gz DCFJATFSMNQQAO-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043238743 857050059 /nfs/dbraw/zinc/05/00/59/857050059.db2.gz DVHIUPUDBVAWBS-QFIPXVFZSA-N 1 0 376.504 3.754 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000906514695 857137958 /nfs/dbraw/zinc/13/79/58/857137958.db2.gz CLRWNRZRVFIGOC-UHFFFAOYSA-N 1 0 376.504 3.862 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1cc(F)cc(Br)c1 ZINC000485843873 857139080 /nfs/dbraw/zinc/13/90/80/857139080.db2.gz FEKMBBUOLWGXKM-NVXWUHKLSA-N 1 0 384.293 3.683 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000508324919 857165733 /nfs/dbraw/zinc/16/57/33/857165733.db2.gz LPTVCRZLKOYUEU-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO N#CCCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 ZINC000593031286 857186205 /nfs/dbraw/zinc/18/62/05/857186205.db2.gz ANXSFUCMWCGGQV-NRFANRHFSA-N 1 0 383.517 3.652 20 30 GHEDRO CN(C)c1ccc(C(N)=[NH+]OCc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000761369709 862886638 /nfs/dbraw/zinc/88/66/38/862886638.db2.gz IBTGRDLQPXTFTL-UHFFFAOYSA-N 1 0 384.480 3.937 20 30 GHEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)CC1CC1 ZINC000112983836 857246933 /nfs/dbraw/zinc/24/69/33/857246933.db2.gz UOWHZQZOITVFGH-UHFFFAOYSA-N 1 0 382.483 3.834 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(Cn3ccnc3)c2)c(-c2ccccc2)n1 ZINC000113320378 857425631 /nfs/dbraw/zinc/42/56/31/857425631.db2.gz KZMUSZQTYAPVMQ-UHFFFAOYSA-N 1 0 396.498 3.998 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cccc(C4CC4)n3)CC2)c1 ZINC000593218313 857435748 /nfs/dbraw/zinc/43/57/48/857435748.db2.gz PPBVWJVLKNZCIQ-UHFFFAOYSA-N 1 0 375.476 3.617 20 30 GHEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593282222 857448455 /nfs/dbraw/zinc/44/84/55/857448455.db2.gz XWTYNKRBWMUACZ-LJQANCHMSA-N 1 0 397.544 3.559 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3ccc(C(C)(C)C#N)cc3)ccc21 ZINC000593281460 857448699 /nfs/dbraw/zinc/44/86/99/857448699.db2.gz SLILJZAHGFJPRM-FQEVSTJZSA-N 1 0 383.517 3.837 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1OC ZINC000482308537 862919229 /nfs/dbraw/zinc/91/92/29/862919229.db2.gz KLRLTPGSFZUCDX-UHFFFAOYSA-N 1 0 385.479 3.969 20 30 GHEDRO N#CC1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000593430645 857587062 /nfs/dbraw/zinc/58/70/62/857587062.db2.gz QGOFMOICRYPPRC-SFTDATJTSA-N 1 0 380.536 3.766 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000593527566 857595838 /nfs/dbraw/zinc/59/58/38/857595838.db2.gz JDMUGAWGLVAUFV-NRFANRHFSA-N 1 0 397.544 3.603 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000593525420 857597313 /nfs/dbraw/zinc/59/73/13/857597313.db2.gz PVTARZGMDAXYJC-NRFANRHFSA-N 1 0 397.544 3.603 20 30 GHEDRO C[C@@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001129068635 857620708 /nfs/dbraw/zinc/62/07/08/857620708.db2.gz PSRNEVVBSUXVNS-IBGZPJMESA-N 1 0 375.516 3.816 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593530697 857633172 /nfs/dbraw/zinc/63/31/72/857633172.db2.gz KVIBFPUEYGYRES-ROUUACIJSA-N 1 0 391.581 3.524 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)CC1 ZINC000521240588 857784942 /nfs/dbraw/zinc/78/49/42/857784942.db2.gz ZPAPSZLXEFWQLE-UHFFFAOYSA-N 1 0 378.520 3.925 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000907874310 857833874 /nfs/dbraw/zinc/83/38/74/857833874.db2.gz QIPBLKCRHDAHRA-UHFFFAOYSA-N 1 0 393.453 3.639 20 30 GHEDRO CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000114174914 857924677 /nfs/dbraw/zinc/92/46/77/857924677.db2.gz QWOKSXJJHTVKBO-IBGZPJMESA-N 1 0 390.531 3.923 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000466035130 857933132 /nfs/dbraw/zinc/93/31/32/857933132.db2.gz CAWZLFYXWHLDSK-DYESRHJHSA-N 1 0 392.503 3.936 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114642601 858146260 /nfs/dbraw/zinc/14/62/60/858146260.db2.gz WJGLKYMRGZBTNA-NRFANRHFSA-N 1 0 379.529 3.572 20 30 GHEDRO Cc1ccc(CN(C(=O)[C@H]([NH3+])CCCCC#N)c2ccc3c(c2)OCCO3)s1 ZINC000594429377 858174297 /nfs/dbraw/zinc/17/42/97/858174297.db2.gz TUWCPHALAOMXLE-GOSISDBHSA-N 1 0 399.516 3.772 20 30 GHEDRO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000594431695 858175621 /nfs/dbraw/zinc/17/56/21/858175621.db2.gz PSUVUFXOVMKQGX-YWZLYKJASA-N 1 0 396.466 3.666 20 30 GHEDRO Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594433987 858176457 /nfs/dbraw/zinc/17/64/57/858176457.db2.gz VYECFUZNFPZFCY-GOSISDBHSA-N 1 0 375.476 3.992 20 30 GHEDRO Cc1nnc(Sc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c(C)c2)s1 ZINC000594440408 858177934 /nfs/dbraw/zinc/17/79/34/858177934.db2.gz ZCLRDPHIWXACOR-AWEZNQCLSA-N 1 0 375.523 3.656 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000594445466 858178930 /nfs/dbraw/zinc/17/89/30/858178930.db2.gz GHPXYCAEWHUVSJ-WMLDXEAASA-N 1 0 384.307 3.774 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC000594443340 858179057 /nfs/dbraw/zinc/17/90/57/858179057.db2.gz OHNBSUWZNHIJFF-SFHVURJKSA-N 1 0 395.894 3.706 20 30 GHEDRO C[C@H]1Cc2cc(-c3ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc3)ccc2O1 ZINC000594447194 858179833 /nfs/dbraw/zinc/17/98/33/858179833.db2.gz VDOFMBHVKBFMTO-HRAATJIYSA-N 1 0 377.488 3.704 20 30 GHEDRO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000594428054 858185279 /nfs/dbraw/zinc/18/52/79/858185279.db2.gz KVZCDSKMBCAURA-JXFKEZNVSA-N 1 0 378.476 3.527 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000594494504 858191283 /nfs/dbraw/zinc/19/12/83/858191283.db2.gz CAANUINPTKRWQH-UHFFFAOYSA-N 1 0 397.544 3.562 20 30 GHEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000594515581 858206077 /nfs/dbraw/zinc/20/60/77/858206077.db2.gz NVONFKUXVRMCHQ-QGZVFWFLSA-N 1 0 395.528 3.828 20 30 GHEDRO COCC[N@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000159773911 862997782 /nfs/dbraw/zinc/99/77/82/862997782.db2.gz ZVIQVUWXAWZTJJ-UHFFFAOYSA-N 1 0 376.460 3.689 20 30 GHEDRO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000594610033 858240660 /nfs/dbraw/zinc/24/06/60/858240660.db2.gz RRUAMVZWBJVRJH-SFHVURJKSA-N 1 0 393.878 3.754 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](O)COc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000594918841 858304180 /nfs/dbraw/zinc/30/41/80/858304180.db2.gz TWXKGVKDPNTEOK-GOSISDBHSA-N 1 0 390.405 3.790 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)N(C)C)cc1OC ZINC000594918320 858304243 /nfs/dbraw/zinc/30/42/43/858304243.db2.gz NRGZNEIVKANNLW-HXUWFJFHSA-N 1 0 379.504 3.651 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)s2)cn1 ZINC000594979867 858355751 /nfs/dbraw/zinc/35/57/51/858355751.db2.gz MOUPBOBFEIZVEK-UHFFFAOYSA-N 1 0 378.501 3.816 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccncc2s1 ZINC000595040134 858376962 /nfs/dbraw/zinc/37/69/62/858376962.db2.gz HGJLAPAZZBLAKL-KDOFPFPSSA-N 1 0 376.485 3.620 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281419291 863017201 /nfs/dbraw/zinc/01/72/01/863017201.db2.gz DDDNLJCFGWUWIW-AUSIDOKSSA-N 1 0 392.547 3.744 20 30 GHEDRO CCn1c(CN2CCCN(c3ccccc3C#N)CC2)nc2cc(F)ccc21 ZINC000171053268 863017820 /nfs/dbraw/zinc/01/78/20/863017820.db2.gz BRTDBVRWWGMKQG-UHFFFAOYSA-N 1 0 377.467 3.779 20 30 GHEDRO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000574874011 858402976 /nfs/dbraw/zinc/40/29/76/858402976.db2.gz DGYSZWVYLJRNQL-KRWDZBQOSA-N 1 0 389.565 3.674 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000079216125 858448302 /nfs/dbraw/zinc/44/83/02/858448302.db2.gz KVOXPXUUAVSVSA-UHFFFAOYSA-N 1 0 380.536 3.791 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3cccs3)[NH+](C)C)c2c1 ZINC000439127654 858451473 /nfs/dbraw/zinc/45/14/73/858451473.db2.gz CBOZVFHKMKUVBB-MRXNPFEDSA-N 1 0 382.489 3.900 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595270179 858458731 /nfs/dbraw/zinc/45/87/31/858458731.db2.gz IYGSHYNQLZLIKW-FGZHOGPDSA-N 1 0 394.494 3.765 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659252384 858469500 /nfs/dbraw/zinc/46/95/00/858469500.db2.gz AQZOKQHQOYSRIO-UHFFFAOYSA-N 1 0 381.289 3.764 20 30 GHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521992629 858515914 /nfs/dbraw/zinc/51/59/14/858515914.db2.gz HKAJMBYFKHRZOD-IRXDYDNUSA-N 1 0 378.476 3.738 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)NCC3(C#N)CCCCC3)CC2)cc1 ZINC000595473969 858541175 /nfs/dbraw/zinc/54/11/75/858541175.db2.gz HSVCOLANYJHINZ-UHFFFAOYSA-N 1 0 398.551 3.680 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+](C2CC2)C2(CO)CCC2)sc2c1CCCCC2 ZINC000595537734 858544278 /nfs/dbraw/zinc/54/42/78/858544278.db2.gz GLKYNPLGGFFFTN-UHFFFAOYSA-N 1 0 387.549 3.597 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595511027 858549016 /nfs/dbraw/zinc/54/90/16/858549016.db2.gz OJHPWLJDKSQFFB-GOSISDBHSA-N 1 0 376.504 3.626 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)NCC3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000595579929 858558547 /nfs/dbraw/zinc/55/85/47/858558547.db2.gz DGUSSTVNBQVCTK-RTWAWAEBSA-N 1 0 396.535 3.746 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000522061871 858584867 /nfs/dbraw/zinc/58/48/67/858584867.db2.gz BXTGHSZJYMCWID-NQIIRXRSSA-N 1 0 379.504 3.886 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H]3c3ccc(F)cc3)CC2)c1 ZINC000595653845 858638990 /nfs/dbraw/zinc/63/89/90/858638990.db2.gz QFTFTFWCOIHVPB-QFIPXVFZSA-N 1 0 392.478 3.818 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCc2ccc(C)cc2C1 ZINC000595658335 858640875 /nfs/dbraw/zinc/64/08/75/858640875.db2.gz TXDAZKHUTIVXBX-GOSISDBHSA-N 1 0 377.488 3.697 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000595685570 858646797 /nfs/dbraw/zinc/64/67/97/858646797.db2.gz GQZPHXUKGQAIPY-ICSRJNTNSA-N 1 0 382.533 3.545 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000595691750 858649807 /nfs/dbraw/zinc/64/98/07/858649807.db2.gz MJDFDDDGDLOXEW-UHFFFAOYSA-N 1 0 376.504 3.586 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747106 858673077 /nfs/dbraw/zinc/67/30/77/858673077.db2.gz GHMCNJNKTINQKB-ZAAXVRCTSA-N 1 0 397.906 3.637 20 30 GHEDRO C[C@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1Cl ZINC000595775761 858683088 /nfs/dbraw/zinc/68/30/88/858683088.db2.gz XXZVSHIDZBIJNQ-INIZCTEOSA-N 1 0 397.906 3.684 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCCc3nc(-c4cccs4)no3)CCOCC2)c1 ZINC000595774748 858683386 /nfs/dbraw/zinc/68/33/86/858683386.db2.gz RERNCLUWIQSVOJ-UHFFFAOYSA-N 1 0 394.500 3.898 20 30 GHEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2I)CC1 ZINC000482637266 858712847 /nfs/dbraw/zinc/71/28/47/858712847.db2.gz YFIHDSFFJUWCOB-AWEZNQCLSA-N 1 0 384.305 3.982 20 30 GHEDRO Cc1cc(C)cc(C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000466208388 858721940 /nfs/dbraw/zinc/72/19/40/858721940.db2.gz OQDKQXKDCHWKLH-FQEVSTJZSA-N 1 0 392.547 3.880 20 30 GHEDRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000595969460 858735374 /nfs/dbraw/zinc/73/53/74/858735374.db2.gz FRGFJSJBZDTWMH-WMZOPIPTSA-N 1 0 383.414 3.530 20 30 GHEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000543177484 858739581 /nfs/dbraw/zinc/73/95/81/858739581.db2.gz TYADMRMSOIMPLX-IBGZPJMESA-N 1 0 390.405 3.981 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCc4ccccc4-n4ccnc43)CC2)cc1 ZINC000596061474 858767318 /nfs/dbraw/zinc/76/73/18/858767318.db2.gz KFYMYTPRADZKPI-HSZRJFAPSA-N 1 0 397.526 3.985 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000593144983 858777719 /nfs/dbraw/zinc/77/77/19/858777719.db2.gz KGUQNCNLSBSNFI-UHFFFAOYSA-N 1 0 379.464 3.695 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000482710577 858785192 /nfs/dbraw/zinc/78/51/92/858785192.db2.gz YEMVXCPYSNHVLA-RBBKRZOGSA-N 1 0 399.441 3.709 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)Nc1ccc(CC[NH+]3CCSCC3)cc1)C2 ZINC000593152514 858799864 /nfs/dbraw/zinc/79/98/64/858799864.db2.gz YZPLTEOANGSLNN-UHFFFAOYSA-N 1 0 392.528 3.697 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116063728 858809906 /nfs/dbraw/zinc/80/99/06/858809906.db2.gz RUJGUTGOEZZBRP-ROUUACIJSA-N 1 0 377.488 3.667 20 30 GHEDRO CC(C)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(O)c(=O)c1 ZINC000596221819 858819212 /nfs/dbraw/zinc/81/92/12/858819212.db2.gz JKZKTDISWLXZPT-UHFFFAOYSA-N 1 0 396.462 3.930 20 30 GHEDRO Cc1ccc(C#N)nc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000596243515 858827486 /nfs/dbraw/zinc/82/74/86/858827486.db2.gz IOULFHBBNJDHFL-FQEVSTJZSA-N 1 0 376.504 3.602 20 30 GHEDRO CC(C)(NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596258632 858845495 /nfs/dbraw/zinc/84/54/95/858845495.db2.gz WHVNLWDSIWBIJZ-NRFANRHFSA-N 1 0 390.531 3.657 20 30 GHEDRO COc1ccc(C[C@@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)c([N+](=O)[O-])c1 ZINC001170318289 881351083 /nfs/dbraw/zinc/35/10/83/881351083.db2.gz OCLDWURHCZAXLS-CQSZACIVSA-N 1 0 378.432 3.735 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C(C)(C)C ZINC000116129584 858849569 /nfs/dbraw/zinc/84/95/69/858849569.db2.gz KZQWFDIDSSYWMA-HXUWFJFHSA-N 1 0 383.492 3.826 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000922984765 858912924 /nfs/dbraw/zinc/91/29/24/858912924.db2.gz NELCDNFIGHRFDH-IBGZPJMESA-N 1 0 377.410 3.878 20 30 GHEDRO CC(C)(C)[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000593182757 858913740 /nfs/dbraw/zinc/91/37/40/858913740.db2.gz CPFSZOHUBAKEHS-QGZVFWFLSA-N 1 0 396.457 3.799 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CNCC[C@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC000596648688 858995101 /nfs/dbraw/zinc/99/51/01/858995101.db2.gz DHDVDDKONZMGNX-REWPJTCUSA-N 1 0 396.485 3.541 20 30 GHEDRO CCC[C@H]1CCc2nc(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2C1 ZINC000194541815 859004122 /nfs/dbraw/zinc/00/41/22/859004122.db2.gz WZWMWSDLTALUQP-HNNXBMFYSA-N 1 0 377.558 3.747 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170330594 881369740 /nfs/dbraw/zinc/36/97/40/881369740.db2.gz CEPAPLQUNRMATQ-OWZKRDHZSA-N 1 0 375.472 3.952 20 30 GHEDRO N#Cc1cncc(Br)c1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170332289 881373726 /nfs/dbraw/zinc/37/37/26/881373726.db2.gz CIHBMZQUEQDCDC-NNZMDNLPSA-N 1 0 397.320 3.745 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC000923177224 859097768 /nfs/dbraw/zinc/09/77/68/859097768.db2.gz WNRIGZOLCRLSRZ-GOSISDBHSA-N 1 0 395.528 3.563 20 30 GHEDRO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cnc1C(F)(F)F ZINC000550541581 859102183 /nfs/dbraw/zinc/10/21/83/859102183.db2.gz XIFMBENKQAYOKN-KRWDZBQOSA-N 1 0 394.441 3.747 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596828208 859110918 /nfs/dbraw/zinc/11/09/18/859110918.db2.gz BKPNYHFHZKSEMH-GOSISDBHSA-N 1 0 386.496 3.699 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000596902448 859138812 /nfs/dbraw/zinc/13/88/12/859138812.db2.gz CHXJBFQERXHODQ-LBPRGKRZSA-N 1 0 379.302 3.563 20 30 GHEDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c([N+](=O)[O-])c1 ZINC001170352863 881387541 /nfs/dbraw/zinc/38/75/41/881387541.db2.gz SDBXDTPSAIBMIZ-HRAATJIYSA-N 1 0 395.459 3.949 20 30 GHEDRO [NH2+]=C(NCc1cccc2c1OCCCO2)Nc1ccccc1OC(F)(F)F ZINC000160763264 859165731 /nfs/dbraw/zinc/16/57/31/859165731.db2.gz RGHQUHJNQRKBQS-UHFFFAOYSA-N 1 0 381.354 3.673 20 30 GHEDRO C=CCc1cc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC000483218614 859227532 /nfs/dbraw/zinc/22/75/32/859227532.db2.gz QAGVCDPIQLPCHO-LJQANCHMSA-N 1 0 386.536 3.703 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000466709699 859232601 /nfs/dbraw/zinc/23/26/01/859232601.db2.gz GCGRFPQTZBWTCR-JOCHJYFZSA-N 1 0 396.531 3.740 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)cc2)CC1 ZINC000596993681 859233044 /nfs/dbraw/zinc/23/30/44/859233044.db2.gz VTHZHCYTDKKQPI-FQEVSTJZSA-N 1 0 378.451 3.777 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000483334837 859292194 /nfs/dbraw/zinc/29/21/94/859292194.db2.gz GSIJCCYJUQUJSL-UHFFFAOYSA-N 1 0 388.515 3.964 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000069035549 859303482 /nfs/dbraw/zinc/30/34/82/859303482.db2.gz OJMNPRINDVFGDW-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO Cc1c(Br)cncc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000597127087 859304065 /nfs/dbraw/zinc/30/40/65/859304065.db2.gz LEBULZCVUIUTHA-UHFFFAOYSA-N 1 0 387.325 3.588 20 30 GHEDRO COC(=O)c1ccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000597126022 859314282 /nfs/dbraw/zinc/31/42/82/859314282.db2.gz BHWKTRLAEBZYIK-UHFFFAOYSA-N 1 0 385.895 3.562 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)cc2)CC1 ZINC000597151308 859318795 /nfs/dbraw/zinc/31/87/95/859318795.db2.gz MQKXCDOBCJYMCH-JOCHJYFZSA-N 1 0 376.500 3.862 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000499727733 859337995 /nfs/dbraw/zinc/33/79/95/859337995.db2.gz FOBSOUFIAYJCKT-SFHVURJKSA-N 1 0 381.476 3.725 20 30 GHEDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764285617 859351827 /nfs/dbraw/zinc/35/18/27/859351827.db2.gz XTCGRPVEYSDNHQ-NFBKMPQASA-N 1 0 393.531 3.994 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601563674 859358000 /nfs/dbraw/zinc/35/80/00/859358000.db2.gz WWAKPNNEIBAXRR-VQIMIIECSA-N 1 0 378.476 3.504 20 30 GHEDRO COC1CC[NH+](C2(CNc3nc(C(F)(F)F)ccc3C#N)CCCC2)CC1 ZINC000522408045 859386469 /nfs/dbraw/zinc/38/64/69/859386469.db2.gz BQLGLODAHPCAAU-UHFFFAOYSA-N 1 0 382.430 3.808 20 30 GHEDRO COc1cccc([C@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593315602 859386718 /nfs/dbraw/zinc/38/67/18/859386718.db2.gz IVZFFCLRZQVEQA-KRWDZBQOSA-N 1 0 392.503 3.592 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764361127 859413053 /nfs/dbraw/zinc/41/30/53/859413053.db2.gz KUCNKBNPUYITEG-HBMCJLEFSA-N 1 0 380.621 3.650 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)cs1 ZINC000557013253 881419437 /nfs/dbraw/zinc/41/94/37/881419437.db2.gz TZNSHGRBKSYQNA-FQEVSTJZSA-N 1 0 393.512 3.714 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3Cc4ccc(Cl)cc43)CC2)c1 ZINC000601660756 859430321 /nfs/dbraw/zinc/43/03/21/859430321.db2.gz WLONMZSUIRWWIY-NRFANRHFSA-N 1 0 379.891 3.632 20 30 GHEDRO COC(=O)C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(O)cc1 ZINC001170365487 881427194 /nfs/dbraw/zinc/42/71/94/881427194.db2.gz ZVNMJKLKCKTZNE-YUVVGHDESA-N 1 0 378.472 3.990 20 30 GHEDRO CC(C)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccs1 ZINC000593346683 859511433 /nfs/dbraw/zinc/51/14/33/859511433.db2.gz IYGPEBBEFCTOPE-UHFFFAOYSA-N 1 0 396.560 3.861 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)C2CC2)cc1OCC ZINC000601774644 859524660 /nfs/dbraw/zinc/52/46/60/859524660.db2.gz VOFOFFMAJJPQRF-GOSISDBHSA-N 1 0 384.314 3.663 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597425579 859528495 /nfs/dbraw/zinc/52/84/95/859528495.db2.gz FMQJABGWQRXBBN-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C[NH+]1CCC(n2cc(NC(=O)c3cn(CCCC#N)c4ccccc34)cn2)CC1 ZINC000601778574 859528943 /nfs/dbraw/zinc/52/89/43/859528943.db2.gz NFKQOMXBUHRHPQ-UHFFFAOYSA-N 1 0 390.491 3.661 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 ZINC000593351870 859531476 /nfs/dbraw/zinc/53/14/76/859531476.db2.gz ULIIEBOZGORWPQ-FCHUYYIVSA-N 1 0 377.463 3.582 20 30 GHEDRO Cc1nc2ccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2nc1C ZINC000593352313 859533826 /nfs/dbraw/zinc/53/38/26/859533826.db2.gz FXXFOZDRZAJUBX-UHFFFAOYSA-N 1 0 399.498 3.513 20 30 GHEDRO CCO[C@@H](C)c1ncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593353393 859548091 /nfs/dbraw/zinc/54/80/91/859548091.db2.gz LMKPHPAHMSAOBE-HNNXBMFYSA-N 1 0 398.532 3.507 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3OCC3CC3)CC2)c1 ZINC000593354088 859550840 /nfs/dbraw/zinc/55/08/40/859550840.db2.gz HXDOCJPRGYDMHQ-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)C2 ZINC000597571289 859644937 /nfs/dbraw/zinc/64/49/37/859644937.db2.gz DPUKWUAAYZGGNV-UHFFFAOYSA-N 1 0 381.863 3.782 20 30 GHEDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611204940 859649973 /nfs/dbraw/zinc/64/99/73/859649973.db2.gz CAZCDADDDIILST-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@@H]1C ZINC000611226815 859650919 /nfs/dbraw/zinc/65/09/19/859650919.db2.gz OBQACUQGANAWGH-JKSUJKDBSA-N 1 0 379.464 3.692 20 30 GHEDRO N#Cc1ccc(C2=CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 ZINC000611287733 859683786 /nfs/dbraw/zinc/68/37/86/859683786.db2.gz NZSZWZHRPIGTNV-UHFFFAOYSA-N 1 0 377.400 3.527 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CCC[N@@H+](C(C)C)CC2)c1=S ZINC000764971833 859704740 /nfs/dbraw/zinc/70/47/40/859704740.db2.gz LRHVQLXLGFTHGJ-UHFFFAOYSA-N 1 0 377.583 3.702 20 30 GHEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000611387720 859733412 /nfs/dbraw/zinc/73/34/12/859733412.db2.gz FSZHKLBEYRQPBN-IIBYNOLFSA-N 1 0 393.487 3.590 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000611393079 859735794 /nfs/dbraw/zinc/73/57/94/859735794.db2.gz HSLFBNITXSVGTI-QFSBIZTOSA-N 1 0 384.293 3.682 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000611396592 859736634 /nfs/dbraw/zinc/73/66/34/859736634.db2.gz AOZZUJQRQNOFTR-OAHLLOKOSA-N 1 0 397.422 3.944 20 30 GHEDRO COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000611405270 859739666 /nfs/dbraw/zinc/73/96/66/859739666.db2.gz BNHPOVPLYKWPDH-LJQANCHMSA-N 1 0 399.878 3.680 20 30 GHEDRO CN1CCN([C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2cccs2)CC1 ZINC000611390349 859740343 /nfs/dbraw/zinc/74/03/43/859740343.db2.gz UOJHKHBQHCKDSW-RTWAWAEBSA-N 1 0 380.561 3.575 20 30 GHEDRO Cn1ccnc1C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000611438804 859761470 /nfs/dbraw/zinc/76/14/70/859761470.db2.gz VLZPXNABTOBLIX-XMMPIXPASA-N 1 0 399.542 3.830 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000611497827 859785592 /nfs/dbraw/zinc/78/55/92/859785592.db2.gz YKDHMFAUKXWTSV-UHFFFAOYSA-N 1 0 392.503 3.667 20 30 GHEDRO Cc1cc(C)n(-c2ccc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000611500434 859786569 /nfs/dbraw/zinc/78/65/69/859786569.db2.gz FTEMFFAZGDOIKF-UHFFFAOYSA-N 1 0 385.515 3.679 20 30 GHEDRO N#Cc1cc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)ccc1Cl ZINC000151671672 859795314 /nfs/dbraw/zinc/79/53/14/859795314.db2.gz IJWNLBCUGVIQRZ-UHFFFAOYSA-N 1 0 389.908 3.503 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000060669712 859804331 /nfs/dbraw/zinc/80/43/31/859804331.db2.gz AUFIFTKWQVQVBW-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)CC2)c1 ZINC000552110869 859809443 /nfs/dbraw/zinc/80/94/43/859809443.db2.gz FEXFJRAJWFRKJC-HXUWFJFHSA-N 1 0 395.453 3.821 20 30 GHEDRO C[NH+]1CCN(CCCOc2ccc(NC(=O)CC3(C#N)CCCCC3)cc2)CC1 ZINC000597810924 859842428 /nfs/dbraw/zinc/84/24/28/859842428.db2.gz KWIJUTGTVNTEAJ-UHFFFAOYSA-N 1 0 398.551 3.506 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 ZINC000597935603 859922951 /nfs/dbraw/zinc/92/29/51/859922951.db2.gz XIXKXOFRKHCHSM-UHFFFAOYSA-N 1 0 396.560 3.814 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC000597925415 859931150 /nfs/dbraw/zinc/93/11/50/859931150.db2.gz OSUZFBOSMAPLMZ-LJQANCHMSA-N 1 0 393.535 3.683 20 30 GHEDRO C#CCN(C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000921514107 859989856 /nfs/dbraw/zinc/98/98/56/859989856.db2.gz IIGXFEORKDUVQN-HXUWFJFHSA-N 1 0 381.520 3.562 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154187060 860014552 /nfs/dbraw/zinc/01/45/52/860014552.db2.gz DFXWSTAWISGLKS-UHFFFAOYSA-N 1 0 383.536 3.830 20 30 GHEDRO CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000598044174 860020170 /nfs/dbraw/zinc/02/01/70/860020170.db2.gz ZDCBSTGLLLJUBD-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC(C(F)(F)F)CC3)CC2)c1 ZINC000593512139 860079709 /nfs/dbraw/zinc/07/97/09/860079709.db2.gz KOQOUZWBMUYHGI-UHFFFAOYSA-N 1 0 394.441 3.507 20 30 GHEDRO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000123811579 860093073 /nfs/dbraw/zinc/09/30/73/860093073.db2.gz BNDCFEUTXGQZBZ-HOTGVXAUSA-N 1 0 388.581 3.632 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+]Cc1cccc(C#N)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000602535790 860104893 /nfs/dbraw/zinc/10/48/93/860104893.db2.gz SKOWTPJEQYDCNX-JTSKRJEESA-N 1 0 391.519 3.696 20 30 GHEDRO CC(C)[C@H]1N(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC12CC=CC2 ZINC000593516958 860134913 /nfs/dbraw/zinc/13/49/13/860134913.db2.gz RHUNNHLRPZETSI-JOCHJYFZSA-N 1 0 392.547 3.909 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000602641556 860173840 /nfs/dbraw/zinc/17/38/40/860173840.db2.gz SSCPLGVDSUKEOL-WBVHZDCISA-N 1 0 392.341 3.716 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508945105 860202661 /nfs/dbraw/zinc/20/26/61/860202661.db2.gz JDDUKJCLAXIPRS-UHFFFAOYSA-N 1 0 389.931 3.760 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(Cl)cc1O ZINC000602703686 860220037 /nfs/dbraw/zinc/22/00/37/860220037.db2.gz BALBWHTYVNXDRZ-UHFFFAOYSA-N 1 0 385.895 3.680 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000484648295 860221253 /nfs/dbraw/zinc/22/12/53/860221253.db2.gz ZZDYDHDBORALMH-IEIRFRATSA-N 1 0 380.488 3.586 20 30 GHEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508949118 860231796 /nfs/dbraw/zinc/23/17/96/860231796.db2.gz GPRUNDCTOXPCQK-UHFFFAOYSA-N 1 0 375.520 3.739 20 30 GHEDRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000508951271 860239614 /nfs/dbraw/zinc/23/96/14/860239614.db2.gz QLAZURDDRFCXJU-KRWDZBQOSA-N 1 0 399.922 3.878 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc([C@@H]4CCCO4)s3)C2)c(F)c1 ZINC000328855309 860247505 /nfs/dbraw/zinc/24/75/05/860247505.db2.gz JWNZPWOBQZYGQS-KXBFYZLASA-N 1 0 386.496 3.764 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC001170395757 881521300 /nfs/dbraw/zinc/52/13/00/881521300.db2.gz PDECKNZACWSXEX-UHFFFAOYSA-N 1 0 387.527 3.777 20 30 GHEDRO N#Cc1c(F)cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC000598395039 860296139 /nfs/dbraw/zinc/29/61/39/860296139.db2.gz AQUBDZPJHGWYDR-SFHVURJKSA-N 1 0 395.453 3.869 20 30 GHEDRO CC(C)(C[NH3+])C1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000904283457 860311061 /nfs/dbraw/zinc/31/10/61/860311061.db2.gz RPQJKJOVDSSANX-UHFFFAOYSA-N 1 0 397.548 3.834 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)nc1 ZINC000602913571 860363323 /nfs/dbraw/zinc/36/33/23/860363323.db2.gz WKOMGPXWFYEDEW-XUZZJYLKSA-N 1 0 391.515 3.588 20 30 GHEDRO COc1ccc(O[C@@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)nc1 ZINC001170398638 881533192 /nfs/dbraw/zinc/53/31/92/881533192.db2.gz RKBXVRMKPFEAPZ-YUVVGHDESA-N 1 0 377.488 3.947 20 30 GHEDRO COc1cc(O[C@@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)ccn1 ZINC001170397869 881531790 /nfs/dbraw/zinc/53/17/90/881531790.db2.gz HQTLHQBVZAWXKT-YUVVGHDESA-N 1 0 377.488 3.947 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532225483 881532467 /nfs/dbraw/zinc/53/24/67/881532467.db2.gz XPYNNYCPZWWHGR-DNVCBOLYSA-N 1 0 392.478 3.902 20 30 GHEDRO C[NH+]1CCC(n2cc(NC(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)cn2)CC1 ZINC000603012453 860426084 /nfs/dbraw/zinc/42/60/84/860426084.db2.gz JEDMDIRIJJRRRZ-UHFFFAOYSA-N 1 0 396.495 3.843 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000598603777 860431092 /nfs/dbraw/zinc/43/10/92/860431092.db2.gz KANXOYWQPKEORB-UYAOXDASSA-N 1 0 380.467 3.807 20 30 GHEDRO C[N@@H+]1CC[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000896162466 860439174 /nfs/dbraw/zinc/43/91/74/860439174.db2.gz QKFAOOIWLIQFCW-GOTSBHOMSA-N 1 0 389.499 3.621 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000509001248 860502166 /nfs/dbraw/zinc/50/21/66/860502166.db2.gz MRDHBBAUEROPGV-SFHVURJKSA-N 1 0 390.535 3.847 20 30 GHEDRO CCOC(=O)Cn1nc(C)c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1C ZINC001170377326 881552573 /nfs/dbraw/zinc/55/25/73/881552573.db2.gz ZZFCZAUAASJVRW-UHFFFAOYSA-N 1 0 394.519 3.557 20 30 GHEDRO C#CCCC1(CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)N=N1 ZINC001168556000 860596395 /nfs/dbraw/zinc/59/63/95/860596395.db2.gz XFCQLJXTGRPGOU-UONOGXRCSA-N 1 0 388.434 3.872 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589215 881559762 /nfs/dbraw/zinc/55/97/62/881559762.db2.gz HVQLDGQKHMYRHQ-QFIPXVFZSA-N 1 0 383.923 3.692 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000429017419 860701961 /nfs/dbraw/zinc/70/19/61/860701961.db2.gz FLGYIHCTWNPRNB-FPOVZHCZSA-N 1 0 383.536 3.687 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CN(c4ccc(Cl)cc4)CCO3)cc2)CC1 ZINC000598994286 860728110 /nfs/dbraw/zinc/72/81/10/860728110.db2.gz IOBYVBHPDIIRGI-OAQYLSRUSA-N 1 0 381.907 3.890 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000156402638 860773506 /nfs/dbraw/zinc/77/35/06/860773506.db2.gz QPMANAXVYBRMPW-HXUWFJFHSA-N 1 0 392.421 3.629 20 30 GHEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593687585 860819130 /nfs/dbraw/zinc/81/91/30/860819130.db2.gz JNWBXHMWXPRUEB-GOSISDBHSA-N 1 0 376.504 3.530 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000593692329 860884538 /nfs/dbraw/zinc/88/45/38/860884538.db2.gz BMMLDPREYUECGK-UHFFFAOYSA-N 1 0 389.478 3.637 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000593693153 860903410 /nfs/dbraw/zinc/90/34/10/860903410.db2.gz QVWBZMQQRSOKNK-UHFFFAOYSA-N 1 0 379.895 3.614 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3nccc4ccsc43)CC2)c1 ZINC000600081413 860921336 /nfs/dbraw/zinc/92/13/36/860921336.db2.gz KSKCCDILYPBRFR-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(N3CCCC3=O)c2)c1 ZINC000170904663 860963393 /nfs/dbraw/zinc/96/33/93/860963393.db2.gz ZTACFGRROCEYTP-UHFFFAOYSA-N 1 0 396.491 3.538 20 30 GHEDRO COc1ccccc1[C@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccn1 ZINC000329037788 860966955 /nfs/dbraw/zinc/96/69/55/860966955.db2.gz CSIIZVAEZXKOMP-NRFANRHFSA-N 1 0 394.519 3.654 20 30 GHEDRO COc1cccc(NC(=[NH2+])NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000170909939 860968773 /nfs/dbraw/zinc/96/87/73/860968773.db2.gz IXWPYIVUEORKSZ-UHFFFAOYSA-N 1 0 389.381 3.827 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC[C@@H]21 ZINC000155478959 860968803 /nfs/dbraw/zinc/96/88/03/860968803.db2.gz VCCPZCWMOJGFKS-OFNKIYASSA-N 1 0 389.499 3.694 20 30 GHEDRO Fc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1OCC(F)(F)F ZINC000623392986 860989257 /nfs/dbraw/zinc/98/92/57/860989257.db2.gz VMFNHYMFVDYFBF-UHFFFAOYSA-N 1 0 388.327 3.883 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[N@@H+]1CCCC[C@H]1C ZINC000603660111 860992999 /nfs/dbraw/zinc/99/29/99/860992999.db2.gz PNKUGQMDWXPHBW-CVEARBPZSA-N 1 0 397.548 3.990 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)C(=O)N2CCCC[C@@H]2C)cc1OC ZINC000623395259 860993105 /nfs/dbraw/zinc/99/31/05/860993105.db2.gz DNOPJNSMROKXQW-LSDHHAIUSA-N 1 0 380.916 3.793 20 30 GHEDRO Cc1cc2ncc([C@@H](C)[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)c(C)n2n1 ZINC000593719968 861000468 /nfs/dbraw/zinc/00/04/68/861000468.db2.gz DSPMXPGJPSPYAV-QGZVFWFLSA-N 1 0 388.519 3.533 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)CCOCC1 ZINC000599286315 861013597 /nfs/dbraw/zinc/01/35/97/861013597.db2.gz GZJPABHMLZYCQP-GMAHTHKFSA-N 1 0 376.500 3.705 20 30 GHEDRO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000329119020 861035239 /nfs/dbraw/zinc/03/52/39/861035239.db2.gz OUVYOAYFEYDUFX-PZJWPPBQSA-N 1 0 397.563 3.955 20 30 GHEDRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)NC1CC[NH+](C2CC2)CC1 ZINC000329146235 861066364 /nfs/dbraw/zinc/06/63/64/861066364.db2.gz OFMDEVAQIAALEO-UHFFFAOYSA-N 1 0 394.306 3.554 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1COc2ccccc21 ZINC000185607158 861067980 /nfs/dbraw/zinc/06/79/80/861067980.db2.gz NHMUAYGNSMOTRI-KBXCAEBGSA-N 1 0 395.528 3.981 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730432588 861115779 /nfs/dbraw/zinc/11/57/79/861115779.db2.gz MHUJQPDWIWEABI-CRAIPNDOSA-N 1 0 386.430 3.852 20 30 GHEDRO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000329202770 861137288 /nfs/dbraw/zinc/13/72/88/861137288.db2.gz XCHRPDUTMWWOCU-PCCBWWKXSA-N 1 0 383.536 3.565 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665458860 861155964 /nfs/dbraw/zinc/15/59/64/861155964.db2.gz SACMWELKIVUUHF-UHFFFAOYSA-N 1 0 377.573 3.655 20 30 GHEDRO O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623530448 861162498 /nfs/dbraw/zinc/16/24/98/861162498.db2.gz YUGUZAGRJOVVGY-MFKMUULPSA-N 1 0 375.284 3.702 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000329224251 861167364 /nfs/dbraw/zinc/16/73/64/861167364.db2.gz ZJRWUXHRWRYLKN-CVEARBPZSA-N 1 0 387.553 3.739 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)CCOCC1 ZINC000599426675 861170010 /nfs/dbraw/zinc/17/00/10/861170010.db2.gz MBQFEDCIEKASNX-WMZOPIPTSA-N 1 0 380.941 3.578 20 30 GHEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000161693760 861170165 /nfs/dbraw/zinc/17/01/65/861170165.db2.gz FZAQPHWQJKZAGB-KRWDZBQOSA-N 1 0 391.519 3.546 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cccc(C(=O)OC)c2)cc1OC ZINC000600162478 861179440 /nfs/dbraw/zinc/17/94/40/861179440.db2.gz ZSCNVJKZRLSHPG-UHFFFAOYSA-N 1 0 375.852 3.990 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)C1 ZINC000329236335 861181882 /nfs/dbraw/zinc/18/18/82/861181882.db2.gz JKRCJRAPVWYOLT-IDZYALCFSA-N 1 0 397.494 3.683 20 30 GHEDRO CCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000161712579 861186759 /nfs/dbraw/zinc/18/67/59/861186759.db2.gz OPXSQWCKRGWABI-FQEVSTJZSA-N 1 0 379.464 3.961 20 30 GHEDRO C=CCN1CC[C@]2(CCCN(C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)C1=O ZINC001168048767 863079599 /nfs/dbraw/zinc/07/95/99/863079599.db2.gz XJMHPDOMGILJLU-OTPAQWSUSA-N 1 0 395.591 3.929 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000042387777 863139555 /nfs/dbraw/zinc/13/95/55/863139555.db2.gz WDBVTLXEGHDTRW-UHFFFAOYSA-N 1 0 394.544 3.572 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C12CCC2 ZINC001168337474 881630955 /nfs/dbraw/zinc/63/09/55/881630955.db2.gz FSSZEXOEBNLEIG-NHCUHLMSSA-N 1 0 375.472 3.953 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000733789843 863167100 /nfs/dbraw/zinc/16/71/00/863167100.db2.gz WLYYNSSHFKJWLP-OAQYLSRUSA-N 1 0 377.488 3.893 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H](C)C[NH+](CC)CC)cnn1-c1cccc(C#N)c1 ZINC000439667805 863177433 /nfs/dbraw/zinc/17/74/33/863177433.db2.gz ZJVCNMFQDTZKCR-INIZCTEOSA-N 1 0 382.512 3.548 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1C ZINC000182288990 863178147 /nfs/dbraw/zinc/17/81/47/863178147.db2.gz KRUZCYSPCHZGEQ-KRWDZBQOSA-N 1 0 379.460 3.630 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(C[NH+](CC)CC)CC2)c1 ZINC000733851519 863217873 /nfs/dbraw/zinc/21/78/73/863217873.db2.gz BMJBFAATIDZLAA-FQEVSTJZSA-N 1 0 386.540 3.631 20 30 GHEDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1)c1ccccc1 ZINC000281606512 863282350 /nfs/dbraw/zinc/28/23/50/863282350.db2.gz GIKDPPLLNSEURW-JOCHJYFZSA-N 1 0 391.515 3.841 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCc1cn2c(n1)SCC2)c1ccc(Cl)cc1Cl ZINC000262376520 863331553 /nfs/dbraw/zinc/33/15/53/863331553.db2.gz JQMMHNXTJXVESZ-JTQLQIEISA-N 1 0 384.336 3.504 20 30 GHEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160132693 863340185 /nfs/dbraw/zinc/34/01/85/863340185.db2.gz ADIJSBDPMCVSDT-HKUYNNGSSA-N 1 0 394.494 3.982 20 30 GHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000482606285 863383700 /nfs/dbraw/zinc/38/37/00/863383700.db2.gz GYCZQRDYZGLEAR-UHFFFAOYSA-N 1 0 382.533 3.979 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522835498 863518708 /nfs/dbraw/zinc/51/87/08/863518708.db2.gz JJUBKKQZKYEHKK-QFIPXVFZSA-N 1 0 376.504 3.604 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000593971646 863560176 /nfs/dbraw/zinc/56/01/76/863560176.db2.gz MEMMNRLXUAVFPB-QGZVFWFLSA-N 1 0 379.529 3.924 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1c(F)cccc1F ZINC000593973086 863583110 /nfs/dbraw/zinc/58/31/10/863583110.db2.gz JBULRNDRWDIRLN-UHFFFAOYSA-N 1 0 385.458 3.750 20 30 GHEDRO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032466 863814816 /nfs/dbraw/zinc/81/48/16/863814816.db2.gz TZHSTTKVNHZTHQ-QGZVFWFLSA-N 1 0 377.488 3.755 20 30 GHEDRO C[NH+]1CCC(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000101522912 863911637 /nfs/dbraw/zinc/91/16/37/863911637.db2.gz LLKWRHAPAUGMII-UHFFFAOYSA-N 1 0 379.529 3.922 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659302914 863945798 /nfs/dbraw/zinc/94/57/98/863945798.db2.gz QVDWIASNEDRZKC-CYBMUJFWSA-N 1 0 398.322 3.943 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000734162437 864040795 /nfs/dbraw/zinc/04/07/95/864040795.db2.gz LGHIVRKSBHMQEE-UHFFFAOYSA-N 1 0 379.504 3.540 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(OCCCOC)CC1 ZINC000172913889 864117968 /nfs/dbraw/zinc/11/79/68/864117968.db2.gz DHTULFPLYACCBU-UHFFFAOYSA-N 1 0 375.538 3.789 20 30 GHEDRO COc1ccccc1NC(=S)NN=C1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000734363172 864176471 /nfs/dbraw/zinc/17/64/71/864176471.db2.gz WCGRJLHLHFBORB-MRXNPFEDSA-N 1 0 382.533 3.880 20 30 GHEDRO COc1cc(Br)ccc1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000184274899 864282723 /nfs/dbraw/zinc/28/27/23/864282723.db2.gz QHPGPEQFKVHWNX-UHFFFAOYSA-N 1 0 399.292 3.699 20 30 GHEDRO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000856798816 881749335 /nfs/dbraw/zinc/74/93/35/881749335.db2.gz OYSQLZZNYPWBNI-DEOSSOPVSA-N 1 0 386.499 3.904 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621631079 864331547 /nfs/dbraw/zinc/33/15/47/864331547.db2.gz UBUWNSVVQNVTFN-CQSZACIVSA-N 1 0 383.305 3.883 20 30 GHEDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000897055046 864370444 /nfs/dbraw/zinc/37/04/44/864370444.db2.gz MFTQGDRBECILEE-DTORHVGOSA-N 1 0 390.274 3.698 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000734845617 864472548 /nfs/dbraw/zinc/47/25/48/864472548.db2.gz WUEWHGSFCOHKGC-AUUYWEPGSA-N 1 0 378.394 3.994 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734843264 864472815 /nfs/dbraw/zinc/47/28/15/864472815.db2.gz IJNZRILSCQUBCF-MDASCCDHSA-N 1 0 378.394 3.602 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(OC)c1 ZINC000607739560 864666133 /nfs/dbraw/zinc/66/61/33/864666133.db2.gz GFMYGCDYUCXGMK-FGZHOGPDSA-N 1 0 381.516 3.728 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cncc(Cl)c1 ZINC000621993159 864678981 /nfs/dbraw/zinc/67/89/81/864678981.db2.gz YWDHAIVFQHBXDA-UHFFFAOYSA-N 1 0 377.945 3.833 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000184553999 864686808 /nfs/dbraw/zinc/68/68/08/864686808.db2.gz XBYAYUYZSZFEHN-MRXNPFEDSA-N 1 0 387.505 3.788 20 30 GHEDRO C=CCc1ccc(OCC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000735220655 864689683 /nfs/dbraw/zinc/68/96/83/864689683.db2.gz DKHPUPXALRFVPQ-FQEVSTJZSA-N 1 0 381.472 3.620 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000063402057 864696858 /nfs/dbraw/zinc/69/68/58/864696858.db2.gz SDVXGYFWWUWUPG-SFHVURJKSA-N 1 0 388.512 3.947 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475317591 864777433 /nfs/dbraw/zinc/77/74/33/864777433.db2.gz NWEZYMGUJOSZFW-SFHVURJKSA-N 1 0 385.458 3.943 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063373 864928193 /nfs/dbraw/zinc/92/81/93/864928193.db2.gz AMEBLKMIMOWATJ-MXNKGDRCSA-N 1 0 385.552 3.805 20 30 GHEDRO Cc1csc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1C#N ZINC000594109742 865017882 /nfs/dbraw/zinc/01/78/82/865017882.db2.gz HNKOCSODPNVWAW-MRXNPFEDSA-N 1 0 398.532 3.950 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480634686 865018807 /nfs/dbraw/zinc/01/88/07/865018807.db2.gz JLQZMSQCOJDQJT-HXUWFJFHSA-N 1 0 378.476 3.599 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480634681 865019041 /nfs/dbraw/zinc/01/90/41/865019041.db2.gz JLQZMSQCOJDQJT-FQEVSTJZSA-N 1 0 378.476 3.599 20 30 GHEDRO CC(C)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC000735872776 865020261 /nfs/dbraw/zinc/02/02/61/865020261.db2.gz VTBWBUBGSOJMNR-QFIPXVFZSA-N 1 0 397.494 3.764 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000735939289 865062817 /nfs/dbraw/zinc/06/28/17/865062817.db2.gz CBTCLWSTLPFZPI-QFIPXVFZSA-N 1 0 390.483 3.563 20 30 GHEDRO O=C(NCCC[NH2+]C1CCCCC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000523032807 865077285 /nfs/dbraw/zinc/07/72/85/865077285.db2.gz VMJRRXZWLABMEY-UHFFFAOYSA-N 1 0 376.504 3.915 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC000301151187 865190313 /nfs/dbraw/zinc/19/03/13/865190313.db2.gz AECQYCNPHSWFEO-UHFFFAOYSA-N 1 0 376.932 3.814 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000063754074 865302672 /nfs/dbraw/zinc/30/26/72/865302672.db2.gz OAIPDRPSBDIXDU-JOCHJYFZSA-N 1 0 390.483 3.600 20 30 GHEDRO CC(C)Oc1ccc(CCNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750437 865305260 /nfs/dbraw/zinc/30/52/60/865305260.db2.gz FBCMSJWGKACNGE-UHFFFAOYSA-N 1 0 393.531 3.915 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000171724573 865344580 /nfs/dbraw/zinc/34/45/80/865344580.db2.gz PLTGGEWOECVJFZ-QFIPXVFZSA-N 1 0 397.494 3.873 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899124225 865344584 /nfs/dbraw/zinc/34/45/84/865344584.db2.gz QTOBXLVLFDFWHE-LRSLUSHPSA-N 1 0 380.536 3.622 20 30 GHEDRO C=CC[NH+]1CCC(Nc2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)CC1 ZINC000301413159 865346274 /nfs/dbraw/zinc/34/62/74/865346274.db2.gz ZEJPXUVBOZCGGP-UHFFFAOYSA-N 1 0 393.318 3.910 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000171733038 865348288 /nfs/dbraw/zinc/34/82/88/865348288.db2.gz AZZVXDKXTAGZLF-UHFFFAOYSA-N 1 0 381.442 3.687 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000171734104 865348329 /nfs/dbraw/zinc/34/83/29/865348329.db2.gz PTXRXJIAMLOMFA-UHFFFAOYSA-N 1 0 392.341 3.778 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)c3ncccc23)CC1 ZINC000171741036 865351142 /nfs/dbraw/zinc/35/11/42/865351142.db2.gz UMGZSVXINNXCIJ-UHFFFAOYSA-N 1 0 376.407 3.608 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1OC ZINC000737958635 865465820 /nfs/dbraw/zinc/46/58/20/865465820.db2.gz BZLSJTVEZXJGMJ-ZRDIBKRKSA-N 1 0 384.520 3.750 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNc1cccc(C#N)c1 ZINC000494548760 881897335 /nfs/dbraw/zinc/89/73/35/881897335.db2.gz SSJCLKONVKZLEC-SFHVURJKSA-N 1 0 376.504 3.661 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508481301 865727906 /nfs/dbraw/zinc/72/79/06/865727906.db2.gz PGVWWPSIOKEANW-MSOLQXFVSA-N 1 0 399.514 3.808 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000608875173 865778762 /nfs/dbraw/zinc/77/87/62/865778762.db2.gz LKQPWZBBQNFJIL-UHFFFAOYSA-N 1 0 393.535 3.685 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000555269130 865804383 /nfs/dbraw/zinc/80/43/83/865804383.db2.gz UQDASPZOLGDSBR-HKUYNNGSSA-N 1 0 381.524 3.876 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000555268267 865805526 /nfs/dbraw/zinc/80/55/26/865805526.db2.gz JPIYIMGPYFMABK-GOSISDBHSA-N 1 0 385.531 3.752 20 30 GHEDRO C[NH+](C)CCOc1ccccc1-c1noc(CSCc2ccc(C#N)cc2)n1 ZINC000545691271 865998372 /nfs/dbraw/zinc/99/83/72/865998372.db2.gz UHDBMOISYNBCEJ-UHFFFAOYSA-N 1 0 394.500 3.982 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)C1)CCCC2 ZINC000456030029 866010348 /nfs/dbraw/zinc/01/03/48/866010348.db2.gz VGRQQXDSVGTBNQ-HXUWFJFHSA-N 1 0 390.531 3.984 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000456031064 866011610 /nfs/dbraw/zinc/01/16/10/866011610.db2.gz RVWGLNDYJYVBDI-ZRZAMGCNSA-N 1 0 387.527 3.717 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000555361522 866023665 /nfs/dbraw/zinc/02/36/65/866023665.db2.gz JKMTXGQDMBKBBN-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508825310 866141965 /nfs/dbraw/zinc/14/19/65/866141965.db2.gz JTXHQSSNBXGVSC-LJQANCHMSA-N 1 0 392.507 3.563 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000456176110 866218997 /nfs/dbraw/zinc/21/89/97/866218997.db2.gz VTBSPDKEXQEHDQ-UHFFFAOYSA-N 1 0 379.504 3.987 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)[C@H](C)Oc3ccccc3C#N)CC[N@@H+]2C)cc1 ZINC000741121110 866246565 /nfs/dbraw/zinc/24/65/65/866246565.db2.gz RTRONBLWIQXIIK-XWFZLUIHSA-N 1 0 394.471 3.570 20 30 GHEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C12CCC2 ZINC001168342463 881967583 /nfs/dbraw/zinc/96/75/83/881967583.db2.gz ZYXWLQSDZKMCMT-VXKWHMMOSA-N 1 0 389.499 3.740 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000665838159 866520459 /nfs/dbraw/zinc/52/04/59/866520459.db2.gz RZYNAVIRDVEFGS-NRFANRHFSA-N 1 0 392.503 3.812 20 30 GHEDRO C[C@@H](O)C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000305078225 866545749 /nfs/dbraw/zinc/54/57/49/866545749.db2.gz WFNAKPYPLJVUMC-UKRRQHHQSA-N 1 0 381.398 3.867 20 30 GHEDRO C[C@H](O)C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000305078227 866545787 /nfs/dbraw/zinc/54/57/87/866545787.db2.gz WFNAKPYPLJVUMC-ZFWWWQNUSA-N 1 0 381.398 3.867 20 30 GHEDRO [NH2+]=C(NCCOc1ccc(F)c(F)c1)Nc1ccccc1OC(F)(F)F ZINC000305249227 866590188 /nfs/dbraw/zinc/59/01/88/866590188.db2.gz UNAKZBXGHIOWAQ-UHFFFAOYSA-N 1 0 375.297 3.669 20 30 GHEDRO C=CCc1cc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc(OC)c1OC ZINC000620307844 866667456 /nfs/dbraw/zinc/66/74/56/866667456.db2.gz BCAJQYKBXNYOOI-FUHIMQAGSA-N 1 0 386.536 3.910 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3cc(C)cc(Br)c3o2)CC1 ZINC000183432291 866717163 /nfs/dbraw/zinc/71/71/63/866717163.db2.gz VAFKHSRTPQLXKY-UHFFFAOYSA-N 1 0 377.282 3.884 20 30 GHEDRO COC(=O)c1cccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000534468572 866848012 /nfs/dbraw/zinc/84/80/12/866848012.db2.gz DGDASAKLDSBDDC-GHTZIAJQSA-N 1 0 391.515 3.830 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000508832007 866875015 /nfs/dbraw/zinc/87/50/15/866875015.db2.gz IGNZMXJAEKKPEH-UHFFFAOYSA-N 1 0 380.540 3.537 20 30 GHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000444624517 866980712 /nfs/dbraw/zinc/98/07/12/866980712.db2.gz MFZYLYGIVSSMMC-NRFANRHFSA-N 1 0 383.584 3.636 20 30 GHEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000444671994 867042751 /nfs/dbraw/zinc/04/27/51/867042751.db2.gz GQEQJIGZTFHINP-UYAOXDASSA-N 1 0 388.556 3.852 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(OCc2ccccc2)c1 ZINC000444703047 867088413 /nfs/dbraw/zinc/08/84/13/867088413.db2.gz JEXOAJNEJINCHJ-GAJHUEQPSA-N 1 0 377.488 3.725 20 30 GHEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000456797481 867125301 /nfs/dbraw/zinc/12/53/01/867125301.db2.gz SUBFLFXXSDSCPT-UHFFFAOYSA-N 1 0 394.544 3.676 20 30 GHEDRO C[C@H]1CN(c2ncc(Br)cc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC000324067643 867212914 /nfs/dbraw/zinc/21/29/14/867212914.db2.gz XKIGGJUDWBVNMB-OAHLLOKOSA-N 1 0 385.309 3.674 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000620740015 867233775 /nfs/dbraw/zinc/23/37/75/867233775.db2.gz UJLYTUJDYFHHFS-FQEVSTJZSA-N 1 0 394.515 3.902 20 30 GHEDRO C=CC[C@@H]1[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCCC1(C)C ZINC000444789704 867252398 /nfs/dbraw/zinc/25/23/98/867252398.db2.gz FYVZHNHISCLQEV-KRWDZBQOSA-N 1 0 377.916 3.834 20 30 GHEDRO C=CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccc(Br)cc1 ZINC000479225128 867347288 /nfs/dbraw/zinc/34/72/88/867347288.db2.gz KVLOYYKYKZZFBP-LBPRGKRZSA-N 1 0 381.343 3.936 20 30 GHEDRO N#CC1(NC(=O)CCc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479235843 867384477 /nfs/dbraw/zinc/38/44/77/867384477.db2.gz ADJRWWSLECVUGZ-UHFFFAOYSA-N 1 0 381.907 3.947 20 30 GHEDRO N#CC1(NC(=O)c2ccc(OCC3CC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479235749 867386471 /nfs/dbraw/zinc/38/64/71/867386471.db2.gz ABWBBUOXZRNBEU-UHFFFAOYSA-N 1 0 389.499 3.764 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(CC)cc1 ZINC000766287609 867603167 /nfs/dbraw/zinc/60/31/67/867603167.db2.gz DEWWFGCXRHQXGT-UHFFFAOYSA-O 1 0 397.520 3.700 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000534885387 867704058 /nfs/dbraw/zinc/70/40/58/867704058.db2.gz FUOWZJOETDGFBS-MRXNPFEDSA-N 1 0 381.863 3.970 20 30 GHEDRO Cc1cc(C#N)nc(NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)n1 ZINC000553586079 867733186 /nfs/dbraw/zinc/73/31/86/867733186.db2.gz HQFPLQJERZKYHY-INIZCTEOSA-N 1 0 397.832 3.769 20 30 GHEDRO Cn1ncc2c1ncnc2N=NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000857207009 882115497 /nfs/dbraw/zinc/11/54/97/882115497.db2.gz PTLMSMULEVDVBJ-QFIPXVFZSA-N 1 0 391.523 3.699 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=S)Nc1ccccc1C#N ZINC000743061982 867809379 /nfs/dbraw/zinc/80/93/79/867809379.db2.gz UQQLTRMXZWEDII-UHFFFAOYSA-N 1 0 395.532 3.518 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534979477 867867125 /nfs/dbraw/zinc/86/71/25/867867125.db2.gz FJKGWZAVBXXXJY-UHFFFAOYSA-N 1 0 383.499 3.994 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508841029 867876864 /nfs/dbraw/zinc/87/68/64/867876864.db2.gz OCBXSWHJNQJRHO-SFHVURJKSA-N 1 0 399.539 3.533 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000743151781 867880665 /nfs/dbraw/zinc/88/06/65/867880665.db2.gz HDOYBNBNYANNGK-LJQANCHMSA-N 1 0 377.488 3.827 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000743202316 867955879 /nfs/dbraw/zinc/95/58/79/867955879.db2.gz BIMDTTGAEKPPFQ-SFHVURJKSA-N 1 0 395.478 3.966 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C12CCCC2 ZINC000743488982 868236604 /nfs/dbraw/zinc/23/66/04/868236604.db2.gz QJZQGXCFMFAMGV-SESVDKBCSA-N 1 0 383.536 3.958 20 30 GHEDRO COc1ccccc1CC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000524002641 868366916 /nfs/dbraw/zinc/36/69/16/868366916.db2.gz RPJNVPJLZIUVAM-SFHVURJKSA-N 1 0 383.536 3.681 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H]1OC ZINC000479891098 868688862 /nfs/dbraw/zinc/68/88/62/868688862.db2.gz YUMIYSBLCCVWPD-DBVUQKKJSA-N 1 0 387.524 3.514 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@H](c1cccnc1)C1CC1)CCCCC2 ZINC000544404016 868732826 /nfs/dbraw/zinc/73/28/26/868732826.db2.gz HWKQVVANBMNJBN-FQEVSTJZSA-N 1 0 380.517 3.963 20 30 GHEDRO C=CCc1cc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000065388783 868804991 /nfs/dbraw/zinc/80/49/91/868804991.db2.gz KPOSFZXKIYAAPI-FQEVSTJZSA-N 1 0 397.519 3.534 20 30 GHEDRO Cc1ccc(-c2noc(CO[NH+]=C(N)c3ccc(N4CCCCC4)cc3)n2)cc1 ZINC000744446143 868848182 /nfs/dbraw/zinc/84/81/82/868848182.db2.gz PVQHXODOWREMPG-UHFFFAOYSA-N 1 0 391.475 3.872 20 30 GHEDRO CCC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000190633220 882236795 /nfs/dbraw/zinc/23/67/95/882236795.db2.gz GHQPCPDFYRQQSR-RTWAWAEBSA-N 1 0 392.459 3.698 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669816902 868923650 /nfs/dbraw/zinc/92/36/50/868923650.db2.gz IZRDPZXWODYZPS-IBGZPJMESA-N 1 0 377.492 3.743 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539492420 869231391 /nfs/dbraw/zinc/23/13/91/869231391.db2.gz TZKPMHUQDGGHBC-YKSBVNFPSA-N 1 0 395.499 3.667 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000446063263 869330421 /nfs/dbraw/zinc/33/04/21/869330421.db2.gz XMVQGFSOCJCKMU-JOCHJYFZSA-N 1 0 380.488 3.739 20 30 GHEDRO Cc1cccc(-n2ccn(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)c2=S)c1 ZINC000793589918 882295175 /nfs/dbraw/zinc/29/51/75/882295175.db2.gz JBOMVGGBFWKLBN-IBGZPJMESA-N 1 0 391.500 3.694 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000539613605 869446765 /nfs/dbraw/zinc/44/67/65/869446765.db2.gz FBDDTMRXPROGIW-OXQOHEQNSA-N 1 0 375.538 3.646 20 30 GHEDRO CCC(CC)(CNC(=O)N=c1cc(C)n(CCC#N)[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000539716230 869658157 /nfs/dbraw/zinc/65/81/57/869658157.db2.gz JRRXVCUZNLPPIB-GOSISDBHSA-N 1 0 396.539 3.558 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000539728518 869679009 /nfs/dbraw/zinc/67/90/09/869679009.db2.gz ZYSYUYJXJNRVLF-LPHOPBHVSA-N 1 0 387.549 3.910 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000524891574 869710372 /nfs/dbraw/zinc/71/03/72/869710372.db2.gz VVIVZZYCWXHDJS-KRWDZBQOSA-N 1 0 397.544 3.577 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000524891575 869710557 /nfs/dbraw/zinc/71/05/57/869710557.db2.gz VVIVZZYCWXHDJS-QGZVFWFLSA-N 1 0 397.544 3.577 20 30 GHEDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000524884465 869729537 /nfs/dbraw/zinc/72/95/37/869729537.db2.gz ICYBRVQSPARXGF-IRLDBZIGSA-N 1 0 398.528 3.583 20 30 GHEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539764278 869740159 /nfs/dbraw/zinc/74/01/59/869740159.db2.gz BZMZODAPMBMNGW-LJQANCHMSA-N 1 0 379.508 3.982 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)NC1CC[NH+](C)CC1 ZINC000745724730 869769286 /nfs/dbraw/zinc/76/92/86/869769286.db2.gz VXUNSJWFTJGXOZ-UHFFFAOYSA-N 1 0 396.535 3.981 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)OC(C)(C)C3)sc2C1 ZINC000065424574 869838025 /nfs/dbraw/zinc/83/80/25/869838025.db2.gz FKXWIXKHARFWIO-KBPBESRZSA-N 1 0 375.538 3.572 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000745835220 869838458 /nfs/dbraw/zinc/83/84/58/869838458.db2.gz YCARIGUIKMPUDF-QAPCUYQASA-N 1 0 382.533 3.911 20 30 GHEDRO C=CC[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000745826447 869848009 /nfs/dbraw/zinc/84/80/09/869848009.db2.gz VBWAGEZWOJBYSX-RBBKRZOGSA-N 1 0 378.520 3.862 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCc1ccccc1)C1CC1 ZINC000746119012 870061624 /nfs/dbraw/zinc/06/16/24/870061624.db2.gz NUXGWCGFMHZYEV-HXUWFJFHSA-N 1 0 382.467 3.931 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508863142 870182252 /nfs/dbraw/zinc/18/22/52/870182252.db2.gz HMPSKJNQURIHOE-QGZVFWFLSA-N 1 0 399.514 3.808 20 30 GHEDRO Cc1ncc(C(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1C#N ZINC001192293610 870270477 /nfs/dbraw/zinc/27/04/77/870270477.db2.gz ISFBIHWDVKXVEP-UHFFFAOYSA-N 1 0 388.515 3.780 20 30 GHEDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925186950 870361107 /nfs/dbraw/zinc/36/11/07/870361107.db2.gz JATOKPCEYSQFPV-OKZBNKHCSA-N 1 0 381.561 3.693 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000538704219 870435788 /nfs/dbraw/zinc/43/57/88/870435788.db2.gz VTQGAYBXXRLLRT-GOSISDBHSA-N 1 0 380.536 3.673 20 30 GHEDRO CCC[C@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001192514926 870447336 /nfs/dbraw/zinc/44/73/36/870447336.db2.gz JPMNGMZXHHTZLX-XZOQPEGZSA-N 1 0 391.515 3.759 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609109194 870461393 /nfs/dbraw/zinc/46/13/93/870461393.db2.gz KNJMTQVMSMJRGE-HSZRJFAPSA-N 1 0 390.531 3.637 20 30 GHEDRO CCCCCCC[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000793789914 882412136 /nfs/dbraw/zinc/41/21/36/882412136.db2.gz HDNZBXAICNSJSX-UXHICEINSA-N 1 0 379.589 3.576 20 30 GHEDRO C=CCn1c(CCCC)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508866477 870471932 /nfs/dbraw/zinc/47/19/32/870471932.db2.gz LAHYIYODVLNLIK-OALUTQOASA-N 1 0 389.588 3.522 20 30 GHEDRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000248551827 870485264 /nfs/dbraw/zinc/48/52/64/870485264.db2.gz GVOQAMCSXQQXOZ-ITDYJDTQSA-N 1 0 388.600 3.548 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1cc(Cl)ccc1OC(F)F ZINC001192627391 870574971 /nfs/dbraw/zinc/57/49/71/870574971.db2.gz VQLOXOHLDFZLIO-IUODEOHRSA-N 1 0 396.821 3.904 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2cccc(OCC#N)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766358917 870637590 /nfs/dbraw/zinc/63/75/90/870637590.db2.gz HOXOKHAHXRIPQS-MSOLQXFVSA-N 1 0 378.476 3.716 20 30 GHEDRO C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)c2c(F)cccc2Cl)CCO1 ZINC000248911627 870688823 /nfs/dbraw/zinc/68/88/23/870688823.db2.gz VLSSWGXWZCGJBS-YYAJDYIMSA-N 1 0 379.907 3.913 20 30 GHEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000249101710 870756546 /nfs/dbraw/zinc/75/65/46/870756546.db2.gz PPFWETHJFXIKBG-UTKZUKDTSA-N 1 0 389.565 3.750 20 30 GHEDRO CC(C)[C@@H](C#N)N1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC001192948691 870779244 /nfs/dbraw/zinc/77/92/44/870779244.db2.gz ZTNUEHMXCBSJGX-LJQANCHMSA-N 1 0 394.357 3.774 20 30 GHEDRO C[C@H](CC#N)N(C)Cc1cc(Br)ccc1CN(C)[C@@H](C)CC#N ZINC000249303810 870808941 /nfs/dbraw/zinc/80/89/41/870808941.db2.gz MKGIXIXYDVYFQN-LSDHHAIUSA-N 1 0 377.330 3.917 20 30 GHEDRO C=CC[C@@H](C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000249606078 870873133 /nfs/dbraw/zinc/87/31/33/870873133.db2.gz ZSMMZJIKNPTCNN-WMZHIEFXSA-N 1 0 378.516 3.883 20 30 GHEDRO C[C@H]1C[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168825120 870878471 /nfs/dbraw/zinc/87/84/71/870878471.db2.gz RLDCAUMZGPTTHW-AZUAARDMSA-N 1 0 398.551 3.532 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000447019789 870906501 /nfs/dbraw/zinc/90/65/01/870906501.db2.gz YLVPQURISOKNSE-LBPRGKRZSA-N 1 0 382.407 3.831 20 30 GHEDRO N#CC1(NC(=O)c2cccc(OC3CCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001193200688 870940497 /nfs/dbraw/zinc/94/04/97/870940497.db2.gz PHJLSPFPTIYZOA-UHFFFAOYSA-N 1 0 389.499 3.906 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC000540324238 871016033 /nfs/dbraw/zinc/01/60/33/871016033.db2.gz KULQRYCPBFMZJV-OAHLLOKOSA-N 1 0 392.484 3.883 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccsc1 ZINC000429714004 871033150 /nfs/dbraw/zinc/03/31/50/871033150.db2.gz FGKYCSXRJFEKNH-LJQANCHMSA-N 1 0 393.516 3.558 20 30 GHEDRO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000509639547 871052634 /nfs/dbraw/zinc/05/26/34/871052634.db2.gz MFQMTEQSXQRESQ-OAQYLSRUSA-N 1 0 397.544 3.624 20 30 GHEDRO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)c(C)n2n1 ZINC000538987803 871056966 /nfs/dbraw/zinc/05/69/66/871056966.db2.gz LYNRIVXTMVYVIL-MAUKXSAKSA-N 1 0 392.482 3.677 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000181483666 871075030 /nfs/dbraw/zinc/07/50/30/871075030.db2.gz XVACOTWUVPDRNK-RUZDIDTESA-N 1 0 388.559 3.777 20 30 GHEDRO C=CCCCS(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001193433128 871106683 /nfs/dbraw/zinc/10/66/83/871106683.db2.gz QXXIMGUTKVKINF-UHFFFAOYSA-N 1 0 376.566 3.661 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000539086121 871234410 /nfs/dbraw/zinc/23/44/10/871234410.db2.gz DVQRSNKAADIXOW-CQSZACIVSA-N 1 0 396.434 3.779 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1OC ZINC000525708271 871267847 /nfs/dbraw/zinc/26/78/47/871267847.db2.gz BTJWYQZYUCYPJU-QHAWAJNXSA-N 1 0 392.499 3.507 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000463273534 871342117 /nfs/dbraw/zinc/34/21/17/871342117.db2.gz MBYDHKVVUUVHGW-CVDCTZTESA-N 1 0 388.515 3.776 20 30 GHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)c2)cc1 ZINC000463301940 871372807 /nfs/dbraw/zinc/37/28/07/871372807.db2.gz QEDLWCMUAPCQPE-AEFFLSMTSA-N 1 0 399.516 3.668 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1)CC(C)C ZINC000539138346 871399778 /nfs/dbraw/zinc/39/97/78/871399778.db2.gz POEZYBMPVIDQLB-IBGZPJMESA-N 1 0 385.552 3.932 20 30 GHEDRO C[NH+]1CCC(COc2cnc(N[C@](C)(C#N)c3ccccc3Cl)nc2)CC1 ZINC001169379179 871439399 /nfs/dbraw/zinc/43/93/99/871439399.db2.gz KIORFRSQGBYNIY-HXUWFJFHSA-N 1 0 385.899 3.701 20 30 GHEDRO Cc1ccc(C(=NO)Nc2cc(C)c3c(n2)CC[N@@H+](Cc2ccccc2)C3)nc1 ZINC001169403861 871451764 /nfs/dbraw/zinc/45/17/64/871451764.db2.gz BUUDJLSTTZEYKW-UHFFFAOYSA-N 1 0 387.487 3.900 20 30 GHEDRO CCCCCCCOC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001193994854 871451931 /nfs/dbraw/zinc/45/19/31/871451931.db2.gz BREFUIZGXWDFRU-WOJBJXKFSA-N 1 0 393.572 3.501 20 30 GHEDRO CN(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000181755032 871461216 /nfs/dbraw/zinc/46/12/16/871461216.db2.gz JAPLFRUXDSDLQJ-JOCHJYFZSA-N 1 0 398.501 3.693 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000462021100 871473354 /nfs/dbraw/zinc/47/33/54/871473354.db2.gz TUJBLXVHJXAOHG-GOSISDBHSA-N 1 0 379.504 3.699 20 30 GHEDRO COc1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1OC1CCCC1 ZINC000540528029 871497731 /nfs/dbraw/zinc/49/77/31/871497731.db2.gz FUERENFUZIGWNT-UHFFFAOYSA-N 1 0 376.460 3.826 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCOCC2)cc1 ZINC000069783802 871509558 /nfs/dbraw/zinc/50/95/58/871509558.db2.gz DUJLIIGOZWGMCX-DEOSSOPVSA-N 1 0 392.547 3.508 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)ccc1OCc1ccccc1 ZINC000539254583 871563679 /nfs/dbraw/zinc/56/36/79/871563679.db2.gz BAJWRBDTWNEJFD-ROUUACIJSA-N 1 0 395.503 3.685 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)ccc1OC1CCCC1 ZINC000539254444 871565526 /nfs/dbraw/zinc/56/55/26/871565526.db2.gz QNJSWTAAZQEGCD-KSFYIVLOSA-N 1 0 387.524 3.722 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000462069630 871566665 /nfs/dbraw/zinc/56/66/65/871566665.db2.gz SKNIQHKCPVQFHE-OALUTQOASA-N 1 0 391.515 3.678 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000539266871 871589651 /nfs/dbraw/zinc/58/96/51/871589651.db2.gz FBPDZXWVPHUPLB-GJZGRUSLSA-N 1 0 397.500 3.956 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000540603899 871682336 /nfs/dbraw/zinc/68/23/36/871682336.db2.gz BAOHNKYDYLXIBR-JOCHJYFZSA-N 1 0 387.487 3.557 20 30 GHEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000463403312 871685106 /nfs/dbraw/zinc/68/51/06/871685106.db2.gz GMCBDDLDZDNZQO-ATZDWAIDSA-N 1 0 375.488 3.643 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3ccccc3CC#N)cc2)CC1 ZINC000776967781 882541799 /nfs/dbraw/zinc/54/17/99/882541799.db2.gz OIVZSNKFMJTBCI-UHFFFAOYSA-N 1 0 375.516 3.843 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000447526573 871755033 /nfs/dbraw/zinc/75/50/33/871755033.db2.gz DBGMTLIEQUIZEB-NRFANRHFSA-N 1 0 397.544 3.974 20 30 GHEDRO Cc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(OCC[NH+](C)C)c1 ZINC000447508658 871768996 /nfs/dbraw/zinc/76/89/96/871768996.db2.gz CKUDCQVCZNHOTC-UHFFFAOYSA-N 1 0 390.443 3.714 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC001194551356 871785554 /nfs/dbraw/zinc/78/55/54/871785554.db2.gz GFNCZBNCKTWZHY-LJQANCHMSA-N 1 0 390.405 3.729 20 30 GHEDRO Cn1c2ccc(C[NH2+]C3CCC(Oc4ccccc4C#N)CC3)cc2sc1=O ZINC000525996179 871840477 /nfs/dbraw/zinc/84/04/77/871840477.db2.gz GTJGXDOOCMHMFM-UHFFFAOYSA-N 1 0 393.512 3.951 20 30 GHEDRO CC[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(C#N)cc1 ZINC000447575002 871842566 /nfs/dbraw/zinc/84/25/66/871842566.db2.gz PRCXQSDBSSIZEM-QFIPXVFZSA-N 1 0 376.504 3.819 20 30 GHEDRO CC[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447585238 871886743 /nfs/dbraw/zinc/88/67/43/871886743.db2.gz JOQWPDOBYCLJDY-SFHVURJKSA-N 1 0 386.293 3.791 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)cc1 ZINC000552040707 871918723 /nfs/dbraw/zinc/91/87/23/871918723.db2.gz PIEPZFIOISLFSM-SFHVURJKSA-N 1 0 394.906 3.576 20 30 GHEDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000447576546 871920074 /nfs/dbraw/zinc/92/00/74/871920074.db2.gz ZEYJGZHWRVSXKV-WMZOPIPTSA-N 1 0 389.293 3.801 20 30 GHEDRO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C(C)(C)C[NH+]1CCCCCC1 ZINC000447605143 871972287 /nfs/dbraw/zinc/97/22/87/871972287.db2.gz GSIZRNOOTKUEQO-UHFFFAOYSA-N 1 0 380.492 3.940 20 30 GHEDRO C[C@@H](CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[N@H+](C)Cc1ccccc1 ZINC000618819696 872026280 /nfs/dbraw/zinc/02/62/80/872026280.db2.gz JODGFZQSELYMCS-HTAPYJJXSA-N 1 0 376.504 3.755 20 30 GHEDRO C[C@H](CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21)[N@H+](C)Cc1ccccc1 ZINC000618819699 872026444 /nfs/dbraw/zinc/02/64/44/872026444.db2.gz JODGFZQSELYMCS-VGSWGCGISA-N 1 0 376.504 3.755 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618827509 872031993 /nfs/dbraw/zinc/03/19/93/872031993.db2.gz KULKTJFXWBTBPJ-JWNTYJGQSA-N 1 0 388.515 3.755 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618848449 872070452 /nfs/dbraw/zinc/07/04/52/872070452.db2.gz WQQDBFUKXBGZIH-SFHVURJKSA-N 1 0 396.457 3.851 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618892292 872091148 /nfs/dbraw/zinc/09/11/48/872091148.db2.gz KVRRBYDRLNPDEC-QFIPXVFZSA-N 1 0 377.488 3.696 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)c2c1 ZINC000447684297 872160679 /nfs/dbraw/zinc/16/06/79/872160679.db2.gz ADUUNZQGMVWQPX-GOSISDBHSA-N 1 0 391.563 3.835 20 30 GHEDRO COc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H](C1CCCCC1)C2 ZINC000526135754 872165396 /nfs/dbraw/zinc/16/53/96/872165396.db2.gz LQRUHUFMQXSIPG-NRFANRHFSA-N 1 0 381.520 3.565 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001195122723 872184707 /nfs/dbraw/zinc/18/47/07/872184707.db2.gz GTUNHXXCYXASAU-SFHVURJKSA-N 1 0 396.535 3.895 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1C#N ZINC000477938453 872210455 /nfs/dbraw/zinc/21/04/55/872210455.db2.gz HRECZLXTILDZPG-UHFFFAOYSA-N 1 0 384.480 3.924 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000619073782 872280915 /nfs/dbraw/zinc/28/09/15/872280915.db2.gz UVQQTIAILFJEID-OAQYLSRUSA-N 1 0 391.450 3.651 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)cn1 ZINC000101900272 872353742 /nfs/dbraw/zinc/35/37/42/872353742.db2.gz AQGQYTGQMCCOQN-UHFFFAOYSA-O 1 0 391.520 3.730 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1cccc(C)c1 ZINC000022803555 872400336 /nfs/dbraw/zinc/40/03/36/872400336.db2.gz UKKMIVRBJFJHNB-UHFFFAOYSA-O 1 0 392.342 3.983 20 30 GHEDRO CN(Cc1cc(Br)cc(Br)c1N)CC(C)(C)C#N ZINC000552316811 872472690 /nfs/dbraw/zinc/47/26/90/872472690.db2.gz NIRQXSMPVOEADT-UHFFFAOYSA-N 1 0 375.108 3.775 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001195606186 872534212 /nfs/dbraw/zinc/53/42/12/872534212.db2.gz ZMFYTRFHAJXIGK-LEWJYISDSA-N 1 0 398.890 3.869 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccnn3-c3ccccc3)C2)c(F)c1 ZINC000447933888 872568899 /nfs/dbraw/zinc/56/88/99/872568899.db2.gz YNPGEGQZVFWIIW-SFHVURJKSA-N 1 0 375.451 3.642 20 30 GHEDRO COCCOc1cc(C)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182601663 872577258 /nfs/dbraw/zinc/57/72/58/872577258.db2.gz LSVMVIYZRSNSNJ-UHFFFAOYSA-N 1 0 379.504 3.968 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000619483072 872681320 /nfs/dbraw/zinc/68/13/20/872681320.db2.gz LWGTZOSTUBMDCP-RXVVDRJESA-N 1 0 399.560 3.796 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000619508389 872694196 /nfs/dbraw/zinc/69/41/96/872694196.db2.gz MENVEQXHDQYTLS-SCLBCKFNSA-N 1 0 391.924 3.922 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000619623730 872807658 /nfs/dbraw/zinc/80/76/58/872807658.db2.gz OERILUBQJZAJCS-UDDICAGYSA-N 1 0 389.927 3.802 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC[C@H]1CCCO1 ZINC000527212978 872815221 /nfs/dbraw/zinc/81/52/21/872815221.db2.gz WCBYLQCHBWDJTJ-LSDHHAIUSA-N 1 0 375.538 3.717 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC001196058034 872832690 /nfs/dbraw/zinc/83/26/90/872832690.db2.gz VWCXSMOTTKVRSL-ZFWWWQNUSA-N 1 0 398.288 3.954 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)NC(C)(C)COCc1ccccc1)c1cccc(C#N)c1 ZINC000619649730 872844376 /nfs/dbraw/zinc/84/43/76/872844376.db2.gz JHMMYKLIIAEMQJ-SFHVURJKSA-N 1 0 394.519 3.503 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000527235719 872850672 /nfs/dbraw/zinc/85/06/72/872850672.db2.gz DAFZWFXAKSVDEI-DEOSSOPVSA-N 1 0 388.515 3.756 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619743154 872948530 /nfs/dbraw/zinc/94/85/30/872948530.db2.gz ZDVSBWHZFAVTSE-JOCHJYFZSA-N 1 0 398.514 3.713 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000619754758 872965288 /nfs/dbraw/zinc/96/52/88/872965288.db2.gz KAJCAVBRWHDKGU-LJQANCHMSA-N 1 0 385.895 3.920 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000619749920 872986209 /nfs/dbraw/zinc/98/62/09/872986209.db2.gz IZLLNVXLIDSUDG-UHFFFAOYSA-N 1 0 382.895 3.675 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000619784476 872997885 /nfs/dbraw/zinc/99/78/85/872997885.db2.gz OWRHPMSGRSBJHY-SJLPKXTDSA-N 1 0 382.426 3.547 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000183003105 873071281 /nfs/dbraw/zinc/07/12/81/873071281.db2.gz MTOQEWYZZUHTKF-LSDHHAIUSA-N 1 0 391.450 3.869 20 30 GHEDRO CS(=O)(=O)c1ccccc1N=NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000768361817 873257697 /nfs/dbraw/zinc/25/76/97/873257697.db2.gz JXDLNRBKJIGIDN-KDURUIRLSA-N 1 0 383.517 3.685 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541326560 873375772 /nfs/dbraw/zinc/37/57/72/873375772.db2.gz UFJWHKSCHUWFIW-DOTOQJQBSA-N 1 0 382.430 3.691 20 30 GHEDRO COC(=O)[C@@H](N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)c1ccc(C#N)cc1 ZINC000768804289 873563185 /nfs/dbraw/zinc/56/31/85/873563185.db2.gz CKYXBHVSBNBAQP-VXKWHMMOSA-N 1 0 379.504 3.519 20 30 GHEDRO C=CCc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc(OC)c1O ZINC000527812320 873598395 /nfs/dbraw/zinc/59/83/95/873598395.db2.gz QNRAOUKIRZHXLK-UHFFFAOYSA-N 1 0 378.472 3.796 20 30 GHEDRO CCc1cc(C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)ccc1C#N ZINC001197292138 873718123 /nfs/dbraw/zinc/71/81/23/873718123.db2.gz GXOGZIMTLLNVPK-UHFFFAOYSA-N 1 0 376.504 3.510 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)c2cccc(C#N)c2Br)([NH+](C)C)C1 ZINC000448766842 873908856 /nfs/dbraw/zinc/90/88/56/873908856.db2.gz FSKJLGVWLYZKRJ-UGSOOPFHSA-N 1 0 378.314 3.561 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001197701465 873989742 /nfs/dbraw/zinc/98/97/42/873989742.db2.gz GIPQKXLNKXFFPR-SFHVURJKSA-N 1 0 397.548 3.847 20 30 GHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000494667848 882781958 /nfs/dbraw/zinc/78/19/58/882781958.db2.gz PFOPUXVPKFOMRQ-OAHLLOKOSA-N 1 0 389.546 3.520 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2ccc(Br)cc2s1 ZINC000448802743 874010213 /nfs/dbraw/zinc/01/02/13/874010213.db2.gz ZAKXHGMJAIFSJB-UHFFFAOYSA-N 1 0 394.338 3.971 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000448818804 874013604 /nfs/dbraw/zinc/01/36/04/874013604.db2.gz PLGPYWSERXZUSI-UHFFFAOYSA-N 1 0 390.325 3.705 20 30 GHEDRO C#CC[N@@H+](Cc1cnc(OC)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001197768884 874033454 /nfs/dbraw/zinc/03/34/54/874033454.db2.gz KLVXLQWIQPLEMM-UHFFFAOYSA-N 1 0 393.915 3.578 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)cc1 ZINC000769420944 874035973 /nfs/dbraw/zinc/03/59/73/874035973.db2.gz UKXXZFWYTUAEBY-NVXWUHKLSA-N 1 0 392.421 3.937 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000609135369 874217706 /nfs/dbraw/zinc/21/77/06/874217706.db2.gz GNDVCZADPPASHL-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001198288813 874327575 /nfs/dbraw/zinc/32/75/75/874327575.db2.gz GYZVAEFQLITYAG-IBGZPJMESA-N 1 0 399.498 3.951 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)cc1C#N ZINC000769966704 874367849 /nfs/dbraw/zinc/36/78/49/874367849.db2.gz CJLAWEFMJIVHME-MRXNPFEDSA-N 1 0 391.471 3.511 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)c1C ZINC001198551485 874497687 /nfs/dbraw/zinc/49/76/87/874497687.db2.gz DMXTYXVZSGJJCG-LJQANCHMSA-N 1 0 393.535 3.898 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CO)C2CCCCC2)sc2c1CCCCC2 ZINC000541981759 874697810 /nfs/dbraw/zinc/69/78/10/874697810.db2.gz DBLFWQUSPAQNOY-GOSISDBHSA-N 1 0 389.565 3.748 20 30 GHEDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000541982987 874704671 /nfs/dbraw/zinc/70/46/71/874704671.db2.gz DHWDMSVIPNJBGT-OXQOHEQNSA-N 1 0 397.544 3.762 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005394 874749414 /nfs/dbraw/zinc/74/94/14/874749414.db2.gz JIWFHVIIIZWLLR-VGOFRKELSA-N 1 0 399.498 3.805 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005388 874749556 /nfs/dbraw/zinc/74/95/56/874749556.db2.gz JIWFHVIIIZWLLR-HTAPYJJXSA-N 1 0 399.498 3.805 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000770808812 874878063 /nfs/dbraw/zinc/87/80/63/874878063.db2.gz WZRYJNFKQRDRMC-CYBMUJFWSA-N 1 0 391.562 3.677 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1 ZINC000449521949 874995591 /nfs/dbraw/zinc/99/55/91/874995591.db2.gz UEMNGELPZZLOOA-UXHICEINSA-N 1 0 396.487 3.536 20 30 GHEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000528754564 875017355 /nfs/dbraw/zinc/01/73/55/875017355.db2.gz NNEQTTKCOGXVIL-QJNYJZHLSA-N 1 0 375.538 3.619 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cn1 ZINC000528848988 875152627 /nfs/dbraw/zinc/15/26/27/875152627.db2.gz DONHDQKRMPJJPW-CWTRNNRKSA-N 1 0 396.516 3.580 20 30 GHEDRO C#CC[C@@H](NC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccccc1 ZINC000771271731 875155473 /nfs/dbraw/zinc/15/54/73/875155473.db2.gz GSOVSHIFOBVJPE-JOCHJYFZSA-N 1 0 376.504 3.715 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1OCCCC#N ZINC000449615455 875155825 /nfs/dbraw/zinc/15/58/25/875155825.db2.gz LVLAYZHIWYLODS-WIYYLYMNSA-N 1 0 381.476 3.783 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000271771055 875163654 /nfs/dbraw/zinc/16/36/54/875163654.db2.gz FEUWIYJTKKBOHR-VXLFJPSPSA-N 1 0 389.908 3.627 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CCN2CCc3sccc3C2)c1 ZINC001199751659 875165279 /nfs/dbraw/zinc/16/52/79/875165279.db2.gz UQCZJEMQDBURAK-UHFFFAOYSA-N 1 0 376.323 3.530 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H]1n1cccn1 ZINC000449657452 875195590 /nfs/dbraw/zinc/19/55/90/875195590.db2.gz PDZKICHAKQLMJP-HBMCJLEFSA-N 1 0 382.508 3.853 20 30 GHEDRO C=C(C)COCC[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000134503629 882916133 /nfs/dbraw/zinc/91/61/33/882916133.db2.gz SBTMXCFALOGKDP-UHFFFAOYSA-N 1 0 380.229 3.741 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000776093401 875329807 /nfs/dbraw/zinc/32/98/07/875329807.db2.gz NNWBECRWNPAFCM-UHFFFAOYSA-N 1 0 391.515 3.871 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000776092984 875331502 /nfs/dbraw/zinc/33/15/02/875331502.db2.gz GLNYNNYKLRMMAY-UHFFFAOYSA-N 1 0 379.504 3.727 20 30 GHEDRO N#CC1(NC(=O)[C@H]2Cc3c2cccc3Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000528980100 875372982 /nfs/dbraw/zinc/37/29/82/875372982.db2.gz PODYEEOMLZEUAO-IBGZPJMESA-N 1 0 379.891 3.654 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475734578 882926432 /nfs/dbraw/zinc/92/64/32/882926432.db2.gz YPPXXTPYJQBXKP-HNNXBMFYSA-N 1 0 392.341 3.669 20 30 GHEDRO C[C@H](CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCCCC1 ZINC000542373749 875471654 /nfs/dbraw/zinc/47/16/54/875471654.db2.gz YEAQDSYOBKBZNT-LJQANCHMSA-N 1 0 376.504 3.867 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NC(C)(C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000596230669 875812439 /nfs/dbraw/zinc/81/24/39/875812439.db2.gz BXEWYELEWWKXTE-IBGZPJMESA-N 1 0 380.492 3.831 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1C#N ZINC000529209568 875832169 /nfs/dbraw/zinc/83/21/69/875832169.db2.gz ABUKWDNLOOVYNR-GOSISDBHSA-N 1 0 384.524 3.680 20 30 GHEDRO CCCCCCCCC[NH+]1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001201846875 875900719 /nfs/dbraw/zinc/90/07/19/875900719.db2.gz OKUHFMWERNYNAE-UHFFFAOYSA-N 1 0 376.589 3.838 20 30 GHEDRO N#Cc1cc(Br)cnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000450251656 876143546 /nfs/dbraw/zinc/14/35/46/876143546.db2.gz VHJIMSGORJEUGI-UHFFFAOYSA-N 1 0 385.309 3.835 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3cccc(C#N)c3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000450250853 876145080 /nfs/dbraw/zinc/14/50/80/876145080.db2.gz OIJIWHGVUDSGSI-HZPDHXFCSA-N 1 0 380.448 3.688 20 30 GHEDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(C#N)c1Br ZINC000450419541 876402940 /nfs/dbraw/zinc/40/29/40/876402940.db2.gz AHBZBSZJPKIIEI-AWEZNQCLSA-N 1 0 386.293 3.571 20 30 GHEDRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000609335204 883029216 /nfs/dbraw/zinc/02/92/16/883029216.db2.gz XVLIEACVGTWLAX-UHFFFAOYSA-N 1 0 399.542 3.984 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)c1F ZINC000786110178 876453322 /nfs/dbraw/zinc/45/33/22/876453322.db2.gz YAMSKVVSZDNLKJ-UHFFFAOYSA-N 1 0 381.451 3.836 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786150500 876478870 /nfs/dbraw/zinc/47/88/70/876478870.db2.gz AHCJLARRLKNSEC-HNNXBMFYSA-N 1 0 375.538 3.672 20 30 GHEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000858335769 883033895 /nfs/dbraw/zinc/03/38/95/883033895.db2.gz GRQMEYNZSQZWHN-GFCCVEGCSA-N 1 0 393.237 3.745 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000108523601 876486028 /nfs/dbraw/zinc/48/60/28/876486028.db2.gz WPPLMHBSJPUUOH-UHFFFAOYSA-N 1 0 381.451 3.624 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000529803879 876689005 /nfs/dbraw/zinc/68/90/05/876689005.db2.gz LZJQKDCYDVNUFU-LJQANCHMSA-N 1 0 382.895 3.589 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)ccc1OC ZINC000850135808 876690320 /nfs/dbraw/zinc/69/03/20/876690320.db2.gz QSSZWYWZYWYBNJ-TZIWHRDSSA-N 1 0 396.487 3.834 20 30 GHEDRO CC(C)(CNC(=O)C(C)(C)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000858380101 883059975 /nfs/dbraw/zinc/05/99/75/883059975.db2.gz ULBBISJOUAOWNN-UHFFFAOYSA-N 1 0 375.516 3.789 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(Br)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450754092 876873245 /nfs/dbraw/zinc/87/32/45/876873245.db2.gz HMRSFPZPIXHRKO-KGLIPLIRSA-N 1 0 390.325 3.704 20 30 GHEDRO NC(=[NH+]OCCOCC(F)(F)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000786746595 876900990 /nfs/dbraw/zinc/90/09/90/876900990.db2.gz KYWNOZJKLJVIFT-UHFFFAOYSA-N 1 0 395.372 3.528 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc(N2CCCC2)nc1Cl)C(C)C ZINC000746602409 876904429 /nfs/dbraw/zinc/90/44/29/876904429.db2.gz BOFASIQDGLIRCE-HNNXBMFYSA-N 1 0 396.988 3.825 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)c(F)c1 ZINC000850541960 877010326 /nfs/dbraw/zinc/01/03/26/877010326.db2.gz FNKOBNQAWYAPHF-YOEHRIQHSA-N 1 0 389.471 3.516 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850550264 877016960 /nfs/dbraw/zinc/01/69/60/877016960.db2.gz ORLYKNQRNVTAQE-IPMKNSEASA-N 1 0 391.556 3.855 20 30 GHEDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000787028215 877104142 /nfs/dbraw/zinc/10/41/42/877104142.db2.gz CDNOIBDESHRHOC-XFQXTVEOSA-N 1 0 385.508 3.550 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000609984725 877249466 /nfs/dbraw/zinc/24/94/66/877249466.db2.gz ZEXFJSUQPINDSY-QFIPXVFZSA-N 1 0 377.488 3.957 20 30 GHEDRO C=C(C)COc1cc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000136565786 877258965 /nfs/dbraw/zinc/25/89/65/877258965.db2.gz PWGTXAPQFPIQJE-RTWAWAEBSA-N 1 0 388.552 3.508 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)o2)cc1 ZINC000609996920 877266187 /nfs/dbraw/zinc/26/61/87/877266187.db2.gz CLFAIKWONUZVER-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000787307230 877332454 /nfs/dbraw/zinc/33/24/54/877332454.db2.gz NVIHYVMQYAHJRJ-SZVBFZGTSA-N 1 0 380.517 3.878 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000530235062 877339169 /nfs/dbraw/zinc/33/91/69/877339169.db2.gz UNAAQEOSGHYTIK-RVKKMQEKSA-N 1 0 377.271 3.750 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000121600056 877342091 /nfs/dbraw/zinc/34/20/91/877342091.db2.gz RIRILOPUEPMNCO-RDJZCZTQSA-N 1 0 379.426 3.898 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451147320 877452773 /nfs/dbraw/zinc/45/27/73/877452773.db2.gz NPIPQWDSVGMACV-UHFFFAOYSA-N 1 0 381.379 3.736 20 30 GHEDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000787591288 877479175 /nfs/dbraw/zinc/47/91/75/877479175.db2.gz LLHPOCUCMNNPCP-UHFFFAOYSA-N 1 0 391.515 3.798 20 30 GHEDRO CCCc1c(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000615268570 877574684 /nfs/dbraw/zinc/57/46/84/877574684.db2.gz HYAQJTZRFZJDHG-GOSISDBHSA-N 1 0 394.523 3.691 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000170852994 877726115 /nfs/dbraw/zinc/72/61/15/877726115.db2.gz NXMMQFCRYUEACD-UHFFFAOYSA-N 1 0 378.520 3.959 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000179627450 877764569 /nfs/dbraw/zinc/76/45/69/877764569.db2.gz GTFBSCLJMIAKLD-QGZVFWFLSA-N 1 0 381.476 3.837 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451340805 877833353 /nfs/dbraw/zinc/83/33/53/877833353.db2.gz KFPQZNINKAEICZ-IJXRJRJASA-N 1 0 376.566 3.667 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000851638982 877848235 /nfs/dbraw/zinc/84/82/35/877848235.db2.gz NWLMDZCYUYYLTR-AWEZNQCLSA-N 1 0 398.322 3.944 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451424498 877953586 /nfs/dbraw/zinc/95/35/86/877953586.db2.gz SUFOZDBTLVMZBV-JFRXWTBNSA-N 1 0 387.549 3.502 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2cccc(C)c2)N2CCOCC2)cc1 ZINC000237785528 878022634 /nfs/dbraw/zinc/02/26/34/878022634.db2.gz IJBYNPSMGHJWBX-XMMPIXPASA-N 1 0 378.516 3.560 20 30 GHEDRO C#C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000851997218 878022811 /nfs/dbraw/zinc/02/28/11/878022811.db2.gz HQZCTOHKCLRIBU-QHCPKHFHSA-N 1 0 397.563 3.679 20 30 GHEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000852101600 878076468 /nfs/dbraw/zinc/07/64/68/878076468.db2.gz SFLSJAFEVMFBQC-QMHKHESXSA-N 1 0 393.487 3.666 20 30 GHEDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451521729 878083065 /nfs/dbraw/zinc/08/30/65/878083065.db2.gz FKYQGJSOENDWTG-YJBOKZPZSA-N 1 0 389.565 3.964 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852191593 878128998 /nfs/dbraw/zinc/12/89/98/878128998.db2.gz HTKACUFLWVWCTQ-LPHOPBHVSA-N 1 0 385.508 3.720 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451550840 878129957 /nfs/dbraw/zinc/12/99/57/878129957.db2.gz SIIXKZGNJNIHRO-SFHVURJKSA-N 1 0 378.432 3.675 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 ZINC000179892786 878176046 /nfs/dbraw/zinc/17/60/46/878176046.db2.gz PEMDJAZHJNERQT-FCHUYYIVSA-N 1 0 375.472 3.803 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000176317716 878208731 /nfs/dbraw/zinc/20/87/31/878208731.db2.gz DHNHAFGREADEPS-YJBOKZPZSA-N 1 0 390.325 3.785 20 30 GHEDRO Cc1oc(-c2ccccc2)nc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068310471 878286604 /nfs/dbraw/zinc/28/66/04/878286604.db2.gz AKLTYORMBJQCKZ-UHFFFAOYSA-N 1 0 388.471 3.726 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000451673107 878292882 /nfs/dbraw/zinc/29/28/82/878292882.db2.gz KGUVMLLGYQYFTE-AZOUXBGGSA-N 1 0 381.516 3.785 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000451682762 878336797 /nfs/dbraw/zinc/33/67/97/878336797.db2.gz QAQFUQRFXQCMHL-DXIQSLLYSA-N 1 0 382.529 3.545 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1-n1cccn1 ZINC000180001723 878342821 /nfs/dbraw/zinc/34/28/21/878342821.db2.gz KBJURCQVGSUVPD-DYESRHJHSA-N 1 0 385.471 3.590 20 30 GHEDRO C=CCCS(=O)(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000451692357 878352846 /nfs/dbraw/zinc/35/28/46/878352846.db2.gz TWMNQRCPQQDGBN-FQEVSTJZSA-N 1 0 376.566 3.515 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000852591842 878445896 /nfs/dbraw/zinc/44/58/96/878445896.db2.gz ARTGVAYPYRXTRE-GHTZIAJQSA-N 1 0 390.487 3.505 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)ccc1F ZINC000852600615 878454788 /nfs/dbraw/zinc/45/47/88/878454788.db2.gz JQAGCKQHJQTMLC-MRXNPFEDSA-N 1 0 397.416 3.710 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600445 878455430 /nfs/dbraw/zinc/45/54/30/878455430.db2.gz IJWKETRCXVHODR-LJQANCHMSA-N 1 0 393.453 3.880 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3csc(C)n3)C2=O)C1 ZINC001275113864 912348286 /nfs/dbraw/zinc/34/82/86/912348286.db2.gz JGVBJHTYERHZNM-HXUWFJFHSA-N 1 0 377.554 3.763 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000068417230 878488455 /nfs/dbraw/zinc/48/84/55/878488455.db2.gz MQVKUZKGGUUVKE-UHFFFAOYSA-N 1 0 397.429 3.576 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068478547 878607570 /nfs/dbraw/zinc/60/75/70/878607570.db2.gz CDDQPMNMYYCOGQ-IBGZPJMESA-N 1 0 378.520 3.724 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852851845 878635492 /nfs/dbraw/zinc/63/54/92/878635492.db2.gz WYEHPUWAFHUTEV-JOCHJYFZSA-N 1 0 376.500 3.543 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000852855041 878635593 /nfs/dbraw/zinc/63/55/93/878635593.db2.gz USWBMPIMFQQKFU-UHFFFAOYSA-N 1 0 379.426 3.637 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000451903434 878672917 /nfs/dbraw/zinc/67/29/17/878672917.db2.gz QCKDFKMRNKAEGA-QGZVFWFLSA-N 1 0 388.581 3.557 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1c1ccccc1 ZINC000452001060 878833565 /nfs/dbraw/zinc/83/35/65/878833565.db2.gz FIBRFACKGQWZSD-QZTJIDSGSA-N 1 0 386.398 3.548 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000597279514 878842092 /nfs/dbraw/zinc/84/20/92/878842092.db2.gz WKDPCSANEPCMOV-YJBOKZPZSA-N 1 0 383.442 3.962 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3nc(C#N)c(Cl)s3)cc2F)CC1 ZINC000853293237 878953738 /nfs/dbraw/zinc/95/37/38/878953738.db2.gz CKALRZMGAJEIAT-UHFFFAOYSA-N 1 0 379.892 3.561 20 30 GHEDRO N#Cc1nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)sc1Cl ZINC000853466737 879039948 /nfs/dbraw/zinc/03/99/48/879039948.db2.gz MTHWOUOFDJBEIB-UHFFFAOYSA-N 1 0 387.940 3.812 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000853690971 879224215 /nfs/dbraw/zinc/22/42/15/879224215.db2.gz TWGGHASKJGJRCE-WOJBJXKFSA-N 1 0 393.959 3.738 20 30 GHEDRO C#C[C@@H](NC(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000853730166 879249751 /nfs/dbraw/zinc/24/97/51/879249751.db2.gz KXSPXAUUENKMNJ-WIYYLYMNSA-N 1 0 385.552 3.624 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(-c2ccncc2)n1 ZINC000789740280 879256241 /nfs/dbraw/zinc/25/62/41/879256241.db2.gz UDXIZGCGPASUIJ-VQTJNVASSA-N 1 0 391.475 3.540 20 30 GHEDRO CCOC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C(C)C ZINC001170118178 879264450 /nfs/dbraw/zinc/26/44/50/879264450.db2.gz QFXGYTQSRPROGC-NRFANRHFSA-N 1 0 396.535 3.614 20 30 GHEDRO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000538450361 879510725 /nfs/dbraw/zinc/51/07/25/879510725.db2.gz ZPEDCTSZHMNKRB-UHFFFAOYSA-N 1 0 387.443 3.645 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000790238350 879539315 /nfs/dbraw/zinc/53/93/15/879539315.db2.gz QFLNJJNPXZIRHM-SFHVURJKSA-N 1 0 390.443 3.888 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000285857519 912474287 /nfs/dbraw/zinc/47/42/87/912474287.db2.gz XLTHTINCSHCQGE-CRAIPNDOSA-N 1 0 395.532 3.696 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCN(Cc4ccc(O)c(Cl)c4)CC3)cc2)CC1 ZINC001183407170 912481844 /nfs/dbraw/zinc/48/18/44/912481844.db2.gz FPZYZFUUHTYNAA-UHFFFAOYSA-N 1 0 381.907 3.919 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn(-c2cccc(C)c2)c1C)C(C)C ZINC000494017199 879824820 /nfs/dbraw/zinc/82/48/20/879824820.db2.gz RBOCKJIZPZMANC-QFIPXVFZSA-N 1 0 380.536 3.918 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Cc2ccccc2CC#N)[NH+]2CCCCC2)cc1 ZINC000776744687 879855377 /nfs/dbraw/zinc/85/53/77/879855377.db2.gz NBAIDHSCPXIKNJ-QHCPKHFHSA-N 1 0 391.515 3.647 20 30 GHEDRO CC(C)CO[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247014756 879885376 /nfs/dbraw/zinc/88/53/76/879885376.db2.gz DGDZUAUHQQBLMZ-SJORKVTESA-N 1 0 375.538 3.624 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc3cc(Br)ccc3c2)C1=O ZINC001275169938 912506776 /nfs/dbraw/zinc/50/67/76/912506776.db2.gz OJVVLHYTKOXRGW-NRFANRHFSA-N 1 0 397.316 3.802 20 30 GHEDRO N#CCn1c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc2ccccc21 ZINC000609167340 879941382 /nfs/dbraw/zinc/94/13/82/879941382.db2.gz RPIWVNCCKOGXNF-UHFFFAOYSA-N 1 0 386.499 3.807 20 30 GHEDRO C=CC[C@]1(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CCCN1C(=O)OC(C)(C)C ZINC000790683851 879955038 /nfs/dbraw/zinc/95/50/38/879955038.db2.gz RSRHBTOWERNVGI-PGRDOPGGSA-N 1 0 393.572 3.523 20 30 GHEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000112694765 880088074 /nfs/dbraw/zinc/08/80/74/880088074.db2.gz WORZACDSQFWECC-JOCHJYFZSA-N 1 0 390.487 3.609 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000791052245 880179887 /nfs/dbraw/zinc/17/98/87/880179887.db2.gz VNFJTHFRUNGJCF-UHFFFAOYSA-N 1 0 393.491 3.622 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1=S ZINC000795705948 912559214 /nfs/dbraw/zinc/55/92/14/912559214.db2.gz JNXDZTOODSIKTB-HZPDHXFCSA-N 1 0 389.594 3.845 20 30 GHEDRO C=C(C)C[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000185485134 880595883 /nfs/dbraw/zinc/59/58/83/880595883.db2.gz DPYQGQWGDRMZLI-LJQANCHMSA-N 1 0 378.520 3.945 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1cc(C#N)ccc1F ZINC000137691917 880882763 /nfs/dbraw/zinc/88/27/63/880882763.db2.gz YXKDUKLIQCVLHP-IAGOWNOFSA-N 1 0 394.494 3.653 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(CN4CCOC4=O)c3)CC2)cc1 ZINC000776846525 880895052 /nfs/dbraw/zinc/89/50/52/880895052.db2.gz FWUZMYJATJPOIX-UHFFFAOYSA-N 1 0 390.487 3.587 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(Br)c(F)c3F)CC2)C1=O ZINC001275207461 912618753 /nfs/dbraw/zinc/61/87/53/912618753.db2.gz WYEUCAVKTGXEKZ-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO C=CCn1c(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453439575 880900181 /nfs/dbraw/zinc/90/01/81/880900181.db2.gz LTKQIULKGBFKGL-NZQKXSOJSA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000453442617 880904434 /nfs/dbraw/zinc/90/44/34/880904434.db2.gz PMZNEXIORKRNRO-WOJBJXKFSA-N 1 0 387.572 3.798 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](Cc3ccccc3C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453462539 880962659 /nfs/dbraw/zinc/96/26/59/880962659.db2.gz HIADGHRWYGPNIJ-HSZRJFAPSA-N 1 0 395.551 3.510 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000453463797 880964532 /nfs/dbraw/zinc/96/45/32/880964532.db2.gz JSGVWYFPVGBIQJ-CUDHKJQZSA-N 1 0 385.556 3.547 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000453469862 880977883 /nfs/dbraw/zinc/97/78/83/880977883.db2.gz YHUISXVHJGDPCN-OAQYLSRUSA-N 1 0 395.551 3.726 20 30 GHEDRO N#Cc1ccc(OC2CCN(Cn3cnc4cc(F)c(F)cc43)CC2)c(F)c1 ZINC000795713443 912628086 /nfs/dbraw/zinc/62/80/86/912628086.db2.gz GRWODHYXUPEJFW-UHFFFAOYSA-N 1 0 386.377 3.826 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000453471135 880984393 /nfs/dbraw/zinc/98/43/93/880984393.db2.gz RXYRPWJYBWHTPL-HXUWFJFHSA-N 1 0 387.572 3.798 20 30 GHEDRO C=CCn1c(-c2ccccc2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453450909 881006954 /nfs/dbraw/zinc/00/69/54/881006954.db2.gz RJYKVEMZLXISGN-UHFFFAOYSA-N 1 0 393.457 3.984 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001170193074 881202747 /nfs/dbraw/zinc/20/27/47/881202747.db2.gz DQVPCGJASNETRL-QGZVFWFLSA-N 1 0 377.271 3.884 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(C#N)cc1 ZINC001170234384 881240111 /nfs/dbraw/zinc/24/01/11/881240111.db2.gz TWZDUYCAFPTAIR-XWFZLUIHSA-N 1 0 385.508 3.625 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000453671957 881266356 /nfs/dbraw/zinc/26/63/56/881266356.db2.gz NRSGODXHAKDAHT-FCHUYYIVSA-N 1 0 391.515 3.998 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]([NH2+]C(C)C)C2)c1C#N ZINC000609385846 883130458 /nfs/dbraw/zinc/13/04/58/883130458.db2.gz FUYKHUWPZMMXHP-IBGZPJMESA-N 1 0 399.583 3.883 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476792609 883131954 /nfs/dbraw/zinc/13/19/54/883131954.db2.gz PBTWGKYKEHNBOX-BDWAOYLISA-N 1 0 398.551 3.668 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2)c1 ZINC000181853981 883188747 /nfs/dbraw/zinc/18/87/47/883188747.db2.gz ZRBUHETZXGXZKP-WMZOPIPTSA-N 1 0 381.476 3.536 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000609520456 883293591 /nfs/dbraw/zinc/29/35/91/883293591.db2.gz MPOCLBOUSVUTGO-SVFBPWRDSA-N 1 0 383.536 3.971 20 30 GHEDRO N#Cc1ccc(OCC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC000609521171 883294993 /nfs/dbraw/zinc/29/49/93/883294993.db2.gz XIAZHHDILHLQRC-UHFFFAOYSA-N 1 0 397.906 3.715 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000804945440 883479467 /nfs/dbraw/zinc/47/94/67/883479467.db2.gz DMQTXYUTZMTISU-DEOSSOPVSA-N 1 0 389.543 3.893 20 30 GHEDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000609637037 883493344 /nfs/dbraw/zinc/49/33/44/883493344.db2.gz JKPZCEJCAYYGFA-YADHBBJMSA-N 1 0 391.515 3.874 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000609659700 883500449 /nfs/dbraw/zinc/50/04/49/883500449.db2.gz OFGCDBPXBCHKJT-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000609664192 883508531 /nfs/dbraw/zinc/50/85/31/883508531.db2.gz WVPYYUAJFALYMG-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ncc(-c3ccccc3)cn2)c1 ZINC000185590707 883560979 /nfs/dbraw/zinc/56/09/79/883560979.db2.gz RDYDRNDEDNKDST-UHFFFAOYSA-N 1 0 391.475 3.868 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)c1 ZINC000609770874 883629285 /nfs/dbraw/zinc/62/92/85/883629285.db2.gz JCHFTONZAJWTBI-HNQUOIGGSA-N 1 0 397.320 3.941 20 30 GHEDRO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000064614100 883753682 /nfs/dbraw/zinc/75/36/82/883753682.db2.gz YYVKIGVNHGHPFE-UHFFFAOYSA-N 1 0 395.503 3.807 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453934937 883755201 /nfs/dbraw/zinc/75/52/01/883755201.db2.gz BZGRZEWBIPAHDX-OAQYLSRUSA-N 1 0 377.488 3.931 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccccc2N2CCOCC2)cc1OCCCC#N ZINC000064614492 883760980 /nfs/dbraw/zinc/76/09/80/883760980.db2.gz PYWBHIGRBCBZRN-UHFFFAOYSA-N 1 0 395.503 3.504 20 30 GHEDRO CCCCOc1cccc(CNC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000551411280 883825108 /nfs/dbraw/zinc/82/51/08/883825108.db2.gz DJVMYDLYSNXMAB-UHFFFAOYSA-N 1 0 377.488 3.632 20 30 GHEDRO N#Cc1cccc([C@H]2CN(C(=O)NCCCCCCC[NH+]3CCCC3)CCO2)c1 ZINC000761725731 883829797 /nfs/dbraw/zinc/82/97/97/883829797.db2.gz JFXNIMMBVIULRH-JOCHJYFZSA-N 1 0 398.551 3.687 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC000859524622 883870414 /nfs/dbraw/zinc/87/04/14/883870414.db2.gz CQVQFWSJKGFSSP-UHFFFAOYSA-N 1 0 391.334 3.881 20 30 GHEDRO O=C1C=COC2(CCN(Cc3nc4ccc(Br)cc4s3)CC2)C1 ZINC000897599431 884006139 /nfs/dbraw/zinc/00/61/39/884006139.db2.gz KWQPKCKVSHVKTD-UHFFFAOYSA-N 1 0 393.306 3.897 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](CC(C)(C)O)C2CC2)cc1OC ZINC000189943617 884021859 /nfs/dbraw/zinc/02/18/59/884021859.db2.gz YPIRXGFQQZOBDL-UHFFFAOYSA-N 1 0 384.314 3.758 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1F ZINC000805778449 884060779 /nfs/dbraw/zinc/06/07/79/884060779.db2.gz BNWQGASUJWHINZ-PNHOKKKMSA-N 1 0 389.902 3.812 20 30 GHEDRO COc1ccc2c(c1)C[C@H]([NH+]1CCC(Oc3ccc(C#N)cc3OC)CC1)C2 ZINC001168282031 884127328 /nfs/dbraw/zinc/12/73/28/884127328.db2.gz HOHDWSBSJMZZNY-LJQANCHMSA-N 1 0 378.472 3.586 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000859881196 884144837 /nfs/dbraw/zinc/14/48/37/884144837.db2.gz BIVPYPKMUZNSIK-UHFFFAOYSA-N 1 0 381.863 3.910 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000026450004 884190295 /nfs/dbraw/zinc/19/02/95/884190295.db2.gz SFVVRXHFGBJPIZ-UHFFFAOYSA-N 1 0 377.554 3.822 20 30 GHEDRO Cc1nc(SCC(=O)Nc2ccc(CC[NH+](C)C)cc2)c(C#N)c(C)c1C ZINC000102731771 884372417 /nfs/dbraw/zinc/37/24/17/884372417.db2.gz BBTVAGSNUBAHMM-UHFFFAOYSA-N 1 0 382.533 3.713 20 30 GHEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000806168182 884390953 /nfs/dbraw/zinc/39/09/53/884390953.db2.gz WQHDNNSDDWXXAM-ZDUSSCGKSA-N 1 0 389.359 3.884 20 30 GHEDRO C[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1cccc(C#N)c1 ZINC000610403329 884423270 /nfs/dbraw/zinc/42/32/70/884423270.db2.gz KHPLNCGQZDEIQK-SFHVURJKSA-N 1 0 398.551 3.732 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1C ZINC001275248226 912823279 /nfs/dbraw/zinc/82/32/79/912823279.db2.gz HUQMJHUSTWXVHJ-QZTJIDSGSA-N 1 0 377.326 3.899 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(F)c1 ZINC000102802792 884467778 /nfs/dbraw/zinc/46/77/78/884467778.db2.gz PBLJMVQKLWOBDL-INIZCTEOSA-N 1 0 392.381 3.723 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000495108458 884554454 /nfs/dbraw/zinc/55/44/54/884554454.db2.gz BNURXTZUROLBTL-UHFFFAOYSA-N 1 0 383.536 3.951 20 30 GHEDRO COc1ccccc1CCN(C)C(=O)[C@@H]1CCCCN1Cc1ccccc1C#N ZINC001183833072 912838085 /nfs/dbraw/zinc/83/80/85/912838085.db2.gz ZKNDTAOBWHWDSL-QFIPXVFZSA-N 1 0 391.515 3.622 20 30 GHEDRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCCN2Cc2ccccc2C#N)CC1 ZINC001183839114 912842723 /nfs/dbraw/zinc/84/27/23/912842723.db2.gz HIGZOVIGEBXXHG-ZRBLBEILSA-N 1 0 396.579 3.682 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)cc1 ZINC000898168885 884624724 /nfs/dbraw/zinc/62/47/24/884624724.db2.gz STGFOFUKSLJTEJ-LIRRHRJNSA-N 1 0 389.293 3.737 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cnn(CC2CCC2)c1 ZINC000898179450 884639154 /nfs/dbraw/zinc/63/91/54/884639154.db2.gz KEZGDIVUBQQIFF-SFHVURJKSA-N 1 0 377.536 3.870 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)ccc1F ZINC000102954888 884652541 /nfs/dbraw/zinc/65/25/41/884652541.db2.gz ZZCBKZZPXYWSRK-UHFFFAOYSA-N 1 0 380.467 3.870 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000806808342 885008204 /nfs/dbraw/zinc/00/82/04/885008204.db2.gz AMGFHCKDGRGQHM-TZIWHRDSSA-N 1 0 398.482 3.609 20 30 GHEDRO N#C[C@H]1CCC[C@@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC000860825917 885030051 /nfs/dbraw/zinc/03/00/51/885030051.db2.gz RRYDBWQGPUCVIC-FCJDFRRUSA-N 1 0 389.499 3.923 20 30 GHEDRO N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000860826261 885032305 /nfs/dbraw/zinc/03/23/05/885032305.db2.gz VSJJGYWVHQQWAB-IYWMVGAKSA-N 1 0 395.528 3.984 20 30 GHEDRO COCC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)c(Cl)c1 ZINC000556514886 885210157 /nfs/dbraw/zinc/21/01/57/885210157.db2.gz IPBLAHQLCSZOJM-SJLPKXTDSA-N 1 0 386.323 3.715 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000556521165 885225117 /nfs/dbraw/zinc/22/51/17/885225117.db2.gz YMBCNASIPKICAA-KPZWWZAWSA-N 1 0 399.292 3.784 20 30 GHEDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC001130840475 885233304 /nfs/dbraw/zinc/23/33/04/885233304.db2.gz NYRPAOUUIJBXCM-FQEVSTJZSA-N 1 0 379.529 3.701 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)cc1 ZINC000861214354 885325075 /nfs/dbraw/zinc/32/50/75/885325075.db2.gz WMPMQRHSJCFNHX-UHFFFAOYSA-N 1 0 375.516 3.791 20 30 GHEDRO C=CCCS(=O)(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000130948342 885367591 /nfs/dbraw/zinc/36/75/91/885367591.db2.gz JBSLHDLQFMYYGQ-UHFFFAOYSA-N 1 0 390.471 3.508 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC000052847955 885450335 /nfs/dbraw/zinc/45/03/35/885450335.db2.gz TYOVKENPGOVAOR-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000774707399 912946672 /nfs/dbraw/zinc/94/66/72/912946672.db2.gz ZGZCSVCISCAJMG-HSZRJFAPSA-N 1 0 385.471 3.604 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000495375491 885569309 /nfs/dbraw/zinc/56/93/09/885569309.db2.gz XWICNMJUIBHDHS-UHFFFAOYSA-N 1 0 398.894 3.917 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1OC ZINC000807704117 885616311 /nfs/dbraw/zinc/61/63/11/885616311.db2.gz TYXHTPGHYFFXQH-SJAUKRLSSA-N 1 0 398.478 3.831 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000171209356 885775763 /nfs/dbraw/zinc/77/57/63/885775763.db2.gz MSJCNRDRMWTBTP-UHFFFAOYSA-N 1 0 385.961 3.600 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000537591949 885818079 /nfs/dbraw/zinc/81/80/79/885818079.db2.gz KVQPHLCMPSDAIP-JYFHCDHNSA-N 1 0 399.538 3.955 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cn2)CC1 ZINC000476465687 885922973 /nfs/dbraw/zinc/92/29/73/885922973.db2.gz GMODZLMORXKSPN-UHFFFAOYSA-N 1 0 378.476 3.608 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H]([NH+]3CCCC3)C2)c1C#N ZINC000532545868 885962136 /nfs/dbraw/zinc/96/21/36/885962136.db2.gz YSLMUSDJPVOFQY-FQEVSTJZSA-N 1 0 397.567 3.590 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001127507681 885966495 /nfs/dbraw/zinc/96/64/95/885966495.db2.gz MOCLDWNCSNLFTC-XPWALMASSA-N 1 0 382.548 3.728 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1ccccc1)C(C)C ZINC000027234249 885972643 /nfs/dbraw/zinc/97/26/43/885972643.db2.gz PGOUSHJVSBGBEU-UHFFFAOYSA-N 1 0 396.535 3.862 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCc3ccccc3C2)cc1 ZINC000498917980 886092159 /nfs/dbraw/zinc/09/21/59/886092159.db2.gz ZFEHZMJKAIEKRA-UHFFFAOYSA-N 1 0 377.488 3.780 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H](C)S1 ZINC000532580002 886113617 /nfs/dbraw/zinc/11/36/17/886113617.db2.gz OTLWTGFVBUSBMT-MELADBBJSA-N 1 0 377.579 3.899 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001131238634 886239481 /nfs/dbraw/zinc/23/94/81/886239481.db2.gz BYKBTGWVPZLSMC-HXUWFJFHSA-N 1 0 379.504 3.629 20 30 GHEDRO C[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000131589218 886318825 /nfs/dbraw/zinc/31/88/25/886318825.db2.gz WEFRVYRUEDHPDE-XMSQKQJNSA-N 1 0 376.504 3.777 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000153564511 886319751 /nfs/dbraw/zinc/31/97/51/886319751.db2.gz SOXRXVAGBMDTIW-LJQANCHMSA-N 1 0 376.500 3.902 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000808433924 886380716 /nfs/dbraw/zinc/38/07/16/886380716.db2.gz FBJTXEJRZWUDPH-KRWDZBQOSA-N 1 0 380.492 3.870 20 30 GHEDRO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)c1cc(Cl)ccc1C#N ZINC000808497135 886409282 /nfs/dbraw/zinc/40/92/82/886409282.db2.gz JDVUWPXBXNMENJ-IZZDOVSWSA-N 1 0 383.879 3.828 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000862689710 886542515 /nfs/dbraw/zinc/54/25/15/886542515.db2.gz CRYQZFISMMFCHY-HSZRJFAPSA-N 1 0 391.515 3.500 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1C#N ZINC000065496962 886549873 /nfs/dbraw/zinc/54/98/73/886549873.db2.gz SVBLGMMPIPEGCZ-IBGZPJMESA-N 1 0 398.507 3.724 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000487972735 886638677 /nfs/dbraw/zinc/63/86/77/886638677.db2.gz ZGCCMTRWYNBXLA-WBMJQRKESA-N 1 0 379.302 3.515 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000808713470 886696993 /nfs/dbraw/zinc/69/69/93/886696993.db2.gz NJFFHTGBKFCHPY-OJNOIJSXSA-N 1 0 379.460 3.570 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001168524908 886752509 /nfs/dbraw/zinc/75/25/09/886752509.db2.gz PVXIDEYLOVAESL-IAGOWNOFSA-N 1 0 382.426 3.958 20 30 GHEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000808788525 886779809 /nfs/dbraw/zinc/77/98/09/886779809.db2.gz NKWQANMEVRMCBP-MQNAVGNWSA-N 1 0 385.467 3.950 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000808788529 886780303 /nfs/dbraw/zinc/78/03/03/886780303.db2.gz NKWQANMEVRMCBP-PDIWNELESA-N 1 0 385.467 3.950 20 30 GHEDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C1(C#N)CCCCC1 ZINC000808788949 886782565 /nfs/dbraw/zinc/78/25/65/886782565.db2.gz ZQLRFWHBUYKRQM-XZOQPEGZSA-N 1 0 391.515 3.736 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670199755 886803547 /nfs/dbraw/zinc/80/35/47/886803547.db2.gz UASOJBMDASIBEP-HXUWFJFHSA-N 1 0 395.551 3.518 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000808843516 886864465 /nfs/dbraw/zinc/86/44/65/886864465.db2.gz PTALMRXGVRSXFV-ZHALLVOQSA-N 1 0 378.476 3.762 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3Cc4ccc(OC)cc4C3)CC2)C1 ZINC001168260389 886894556 /nfs/dbraw/zinc/89/45/56/886894556.db2.gz IHDTVZDTKMATOD-HXUWFJFHSA-N 1 0 384.520 3.663 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000171720817 887050204 /nfs/dbraw/zinc/05/02/04/887050204.db2.gz VFOBBSQSUKUSSF-RMKNXTFCSA-N 1 0 397.544 3.810 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cc(C#N)c3ccccc3n2)cc1 ZINC000809079048 887088484 /nfs/dbraw/zinc/08/84/84/887088484.db2.gz APRYCTXFJAFBTA-XFXZXTDPSA-N 1 0 386.455 3.699 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cc(C#N)c3ccccc3n2)cc1 ZINC000809079047 887088729 /nfs/dbraw/zinc/08/87/29/887088729.db2.gz APRYCTXFJAFBTA-FMIVXFBMSA-N 1 0 386.455 3.699 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001184311102 913121279 /nfs/dbraw/zinc/12/12/79/913121279.db2.gz XWDQXNGQKBBNEE-FCHUYYIVSA-N 1 0 398.547 3.647 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670216401 887239329 /nfs/dbraw/zinc/23/93/29/887239329.db2.gz CKCOHROPIWIWIW-IRXDYDNUSA-N 1 0 387.503 3.664 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)cc1 ZINC000153688240 887295133 /nfs/dbraw/zinc/29/51/33/887295133.db2.gz ZIYGDKPWPXDCNS-FQEVSTJZSA-N 1 0 383.879 3.787 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C2CC2)nc2onc(C)c21)C(C)C ZINC000496012472 887383963 /nfs/dbraw/zinc/38/39/63/887383963.db2.gz CUYRNGQDLGATJW-IBGZPJMESA-N 1 0 382.508 3.837 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)nn(-c2ccccc2)c1C)C(C)C ZINC000496027195 887404560 /nfs/dbraw/zinc/40/45/60/887404560.db2.gz FSWJHIIJVVGISD-NRFANRHFSA-N 1 0 380.536 3.918 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000188750675 887453058 /nfs/dbraw/zinc/45/30/58/887453058.db2.gz RHMFKNGURLUSCJ-QGZVFWFLSA-N 1 0 397.479 3.706 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000171737848 887559635 /nfs/dbraw/zinc/55/96/35/887559635.db2.gz GORPCAOUDJFONS-UHFFFAOYSA-N 1 0 396.510 3.625 20 30 GHEDRO N#Cc1ccc2ncc(C[N@H+](Cc3ccccc3)C[C@@H](O)c3ccccc3)n2c1 ZINC000809699821 887681619 /nfs/dbraw/zinc/68/16/19/887681619.db2.gz XHLYEQQIFQZXKY-HSZRJFAPSA-N 1 0 382.467 3.942 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809735653 887716870 /nfs/dbraw/zinc/71/68/70/887716870.db2.gz NLFIVQTWKVWJFT-DENIHFKCSA-N 1 0 378.520 3.859 20 30 GHEDRO C#CC[N@@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000809717553 887737558 /nfs/dbraw/zinc/73/75/58/887737558.db2.gz JWVAWAMVSDTZBM-UHFFFAOYSA-N 1 0 387.483 3.884 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1C ZINC000810018269 888086499 /nfs/dbraw/zinc/08/64/99/888086499.db2.gz GGZIYKUOXHSBQX-NRFANRHFSA-N 1 0 399.560 3.961 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000810034164 888116054 /nfs/dbraw/zinc/11/60/54/888116054.db2.gz OLCDHVSBZFSIDF-HXUWFJFHSA-N 1 0 386.496 3.757 20 30 GHEDRO N#CC1(CCC[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)CCOCC1 ZINC000282124226 888156690 /nfs/dbraw/zinc/15/66/90/888156690.db2.gz YBAVDGOKESNFAM-UHFFFAOYSA-N 1 0 379.907 3.697 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)CCc2ccc(Br)cc21 ZINC000794813645 888185326 /nfs/dbraw/zinc/18/53/26/888185326.db2.gz BYWQAWTUFCYYBN-SUMWQHHRSA-N 1 0 386.355 3.653 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000865259809 888274730 /nfs/dbraw/zinc/27/47/30/888274730.db2.gz NPJOWCKPTPTGPT-UHFFFAOYSA-N 1 0 392.572 3.572 20 30 GHEDRO COc1ccc(C([NH2+]C[C@H](O)c2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000763230315 888364648 /nfs/dbraw/zinc/36/46/48/888364648.db2.gz HCHGFHYMNUJSLM-QHCPKHFHSA-N 1 0 388.467 3.988 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc2ccccc2n1CC#N ZINC001132303405 888565424 /nfs/dbraw/zinc/56/54/24/888565424.db2.gz VARNROAUJOHLQD-GHTZIAJQSA-N 1 0 386.499 3.663 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ncnc3sccc32)CC1 ZINC000915955275 888572051 /nfs/dbraw/zinc/57/20/51/888572051.db2.gz CGDFYXPTRJIHRD-UHFFFAOYSA-N 1 0 386.912 3.543 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)COc1cccc(C#N)c1)c1ccccc1Cl ZINC000916097655 888718612 /nfs/dbraw/zinc/71/86/12/888718612.db2.gz FRGCLNVCAUZZTJ-HXUWFJFHSA-N 1 0 385.895 3.790 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(C#N)c1[O-] ZINC000866261471 888804359 /nfs/dbraw/zinc/80/43/59/888804359.db2.gz UAROXGURCDXMCN-HZPDHXFCSA-N 1 0 382.483 3.567 20 30 GHEDRO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)ccc1C#N ZINC000488088512 888815405 /nfs/dbraw/zinc/81/54/05/888815405.db2.gz YMNWKDXHAMODBL-QGZVFWFLSA-N 1 0 383.517 3.600 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2csc(-c3ccc(OCC)cc3)n2)CC1 ZINC000747640424 888922629 /nfs/dbraw/zinc/92/26/29/888922629.db2.gz WUALVORGJHFCPJ-UHFFFAOYSA-N 1 0 384.501 3.597 20 30 GHEDRO C=CC[C@]1(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000810842296 888932624 /nfs/dbraw/zinc/93/26/24/888932624.db2.gz URFGPXOTWCLMMK-XGHQBKJUSA-N 1 0 378.513 3.502 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1O2 ZINC000027345340 889226942 /nfs/dbraw/zinc/22/69/42/889226942.db2.gz DQWLNVNOSIASFP-LJQANCHMSA-N 1 0 376.460 3.668 20 30 GHEDRO CCS[C@H](C)c1noc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)n1 ZINC000154123946 889297231 /nfs/dbraw/zinc/29/72/31/889297231.db2.gz KLYXLSLDBQQIRO-CQSZACIVSA-N 1 0 389.525 3.711 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000868111792 889299031 /nfs/dbraw/zinc/29/90/31/889299031.db2.gz ANOODEFBYCEKEJ-HSZRJFAPSA-N 1 0 398.551 3.730 20 30 GHEDRO COCCC1(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]CC1 ZINC000868121090 889304468 /nfs/dbraw/zinc/30/44/68/889304468.db2.gz RSUJLDQTWCKJAD-UHFFFAOYSA-N 1 0 394.475 3.631 20 30 GHEDRO CCn1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c2sc(C#N)cc2c1=O ZINC001170629833 889353594 /nfs/dbraw/zinc/35/35/94/889353594.db2.gz IYCQRIXQBQYGLG-UHFFFAOYSA-N 1 0 396.560 3.688 20 30 GHEDRO COc1ccc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000532989115 889473817 /nfs/dbraw/zinc/47/38/17/889473817.db2.gz SVEUROZGCTVLES-JOCHJYFZSA-N 1 0 375.472 3.552 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000124086583 889502432 /nfs/dbraw/zinc/50/24/32/889502432.db2.gz KZJQXJPMUOWZPZ-RTWAWAEBSA-N 1 0 387.524 3.531 20 30 GHEDRO N#CCSCCC[NH+]1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795035786 889579182 /nfs/dbraw/zinc/57/91/82/889579182.db2.gz XKXBBVGYYFOUES-WOJBJXKFSA-N 1 0 387.549 3.660 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000063399026 889601097 /nfs/dbraw/zinc/60/10/97/889601097.db2.gz KLKWBYXXKPWSTJ-FQEVSTJZSA-N 1 0 378.476 3.686 20 30 GHEDRO C=CCSc1ccccc1NC(=O)COC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811448842 889606993 /nfs/dbraw/zinc/60/69/93/889606993.db2.gz CGIXPBSRFYXOPK-HXUWFJFHSA-N 1 0 394.512 3.659 20 30 GHEDRO FC(F)(F)c1ccc(Br)c(C=NNCC[NH+]2CCCCC2)c1 ZINC000811638921 889835459 /nfs/dbraw/zinc/83/54/59/889835459.db2.gz HKHIABOWTDJZMI-UHFFFAOYSA-N 1 0 378.236 3.877 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC001184732888 913401401 /nfs/dbraw/zinc/40/14/01/913401401.db2.gz IMHRWSZZLPLJKN-BVYCBKJFSA-N 1 0 389.503 3.718 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])C(C)C ZINC001184775789 913425314 /nfs/dbraw/zinc/42/53/14/913425314.db2.gz UDUQKDUDFCHWAX-OAHLLOKOSA-N 1 0 383.290 3.863 20 30 GHEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC001184797223 913441642 /nfs/dbraw/zinc/44/16/42/913441642.db2.gz RAXKKSJDFPEQNX-OAQYLSRUSA-N 1 0 399.560 3.849 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)nc1Cl ZINC001184818413 913457257 /nfs/dbraw/zinc/45/72/57/913457257.db2.gz SEXSMVCPLKRMGK-ZDUSSCGKSA-N 1 0 381.307 3.644 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000812319048 890537042 /nfs/dbraw/zinc/53/70/42/890537042.db2.gz RPAOWIYYKSIZPU-FGZHOGPDSA-N 1 0 395.478 3.645 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001133257154 890560619 /nfs/dbraw/zinc/56/06/19/890560619.db2.gz MACIFQFAZXWXBP-FQEVSTJZSA-N 1 0 377.488 3.694 20 30 GHEDRO N#CCOc1cccc(CC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000870966168 890589295 /nfs/dbraw/zinc/58/92/95/890589295.db2.gz BRJKGQQVWOCTKL-UHFFFAOYSA-N 1 0 391.515 3.550 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000871053698 890617487 /nfs/dbraw/zinc/61/74/87/890617487.db2.gz GHZUZQYFEDFIJB-UHFFFAOYSA-N 1 0 386.931 3.634 20 30 GHEDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000871357880 890790197 /nfs/dbraw/zinc/79/01/97/890790197.db2.gz CFVOONWBVNQLDW-UHFFFAOYSA-N 1 0 381.476 3.723 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000747810184 890897158 /nfs/dbraw/zinc/89/71/58/890897158.db2.gz KRKBCVWRBBAQRB-UHFFFAOYSA-N 1 0 378.520 3.605 20 30 GHEDRO C#CCCCCC[NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000871829850 891028488 /nfs/dbraw/zinc/02/84/88/891028488.db2.gz RJDAGNSOUWNJRV-JOCHJYFZSA-N 1 0 385.529 3.971 20 30 GHEDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000897522345 891046825 /nfs/dbraw/zinc/04/68/25/891046825.db2.gz MHIIUJOUELQFIW-GOSISDBHSA-N 1 0 380.414 3.532 20 30 GHEDRO C[C@H]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455531380 891095441 /nfs/dbraw/zinc/09/54/41/891095441.db2.gz DKSPSOFOOJWQHY-KRWDZBQOSA-N 1 0 380.467 3.503 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278453 891225348 /nfs/dbraw/zinc/22/53/48/891225348.db2.gz QQHZCPXJDHMDMK-LAUBAEHRSA-N 1 0 387.499 3.884 20 30 GHEDRO N#CCCCC(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000813090845 891267031 /nfs/dbraw/zinc/26/70/31/891267031.db2.gz RGOYSVJMOVHMDY-UHFFFAOYSA-N 1 0 395.297 3.529 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1c[nH]c2ccc(C)cc21)C(F)(F)F ZINC001184951587 913569972 /nfs/dbraw/zinc/56/99/72/913569972.db2.gz RQUOAQJQOZWVHT-KSSFIOAISA-N 1 0 379.426 3.889 20 30 GHEDRO N#Cc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)o1 ZINC000873411641 891616104 /nfs/dbraw/zinc/61/61/04/891616104.db2.gz SRNTUXJCDNECHB-FCHUYYIVSA-N 1 0 387.439 3.505 20 30 GHEDRO CC[N@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497600385 891980700 /nfs/dbraw/zinc/98/07/00/891980700.db2.gz ZFZGVZVZSHKULT-CVEARBPZSA-N 1 0 385.458 3.967 20 30 GHEDRO Cc1c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)sc2nc(C)nc(C)c12 ZINC000814170928 892366600 /nfs/dbraw/zinc/36/66/00/892366600.db2.gz DXIGXNHRNZWJQU-MRXNPFEDSA-N 1 0 379.489 3.537 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(C)cc1 ZINC000154492861 892416839 /nfs/dbraw/zinc/41/68/39/892416839.db2.gz VELKSSFVSBXRIZ-HNNXBMFYSA-O 1 0 387.525 3.627 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000162436900 892417633 /nfs/dbraw/zinc/41/76/33/892417633.db2.gz FFTZKJIMMCFSLP-UHFFFAOYSA-N 1 0 391.515 3.843 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000497819163 892498856 /nfs/dbraw/zinc/49/88/56/892498856.db2.gz YWNKEVKEKQHWLV-SIKLNZKXSA-N 1 0 381.520 3.930 20 30 GHEDRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000067773512 892604729 /nfs/dbraw/zinc/60/47/29/892604729.db2.gz AWIGIHNQRPGWGW-GOSISDBHSA-N 1 0 376.504 3.831 20 30 GHEDRO CC(C)Oc1ccccc1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497954022 892798831 /nfs/dbraw/zinc/79/88/31/892798831.db2.gz XSGJLYSWLJITOG-UHFFFAOYSA-N 1 0 391.515 3.622 20 30 GHEDRO N#Cc1c[nH]c2nc(Cl)nc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)c12 ZINC001170754065 892986962 /nfs/dbraw/zinc/98/69/62/892986962.db2.gz RPCCWMZYEGJWHU-INIZCTEOSA-N 1 0 380.883 3.602 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc2c(c1)CCO2 ZINC000933488458 893057486 /nfs/dbraw/zinc/05/74/86/893057486.db2.gz KRVQUOKDBJZWNK-RDTXWAMCSA-N 1 0 384.439 3.509 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CCCSCC#N)C2)C1 ZINC000814671435 893078548 /nfs/dbraw/zinc/07/85/48/893078548.db2.gz BJJAUWKHPFEZDP-ROUUACIJSA-N 1 0 381.586 3.992 20 30 GHEDRO CC(C)(C)OC(=O)NC(=C[NH2+]Nc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000814694710 893081974 /nfs/dbraw/zinc/08/19/74/893081974.db2.gz VYWMONOQUZHISY-LLVKDONJSA-N 1 0 376.335 3.838 20 30 GHEDRO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000129198798 893155583 /nfs/dbraw/zinc/15/55/83/893155583.db2.gz ZEEOOVONZCPKNB-YJBOKZPZSA-N 1 0 392.425 3.744 20 30 GHEDRO C[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562924444 893170936 /nfs/dbraw/zinc/17/09/36/893170936.db2.gz IUKUNLOJBUDWJF-GDBMZVCRSA-N 1 0 383.883 3.639 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000876648075 893271159 /nfs/dbraw/zinc/27/11/59/893271159.db2.gz MNPJSVFXLJSCLK-UONOGXRCSA-N 1 0 379.888 3.913 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H](N3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000563023288 893289116 /nfs/dbraw/zinc/28/91/16/893289116.db2.gz ZSJSZJUORBOWPN-PWRODBHTSA-N 1 0 395.890 3.515 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455801543 893358958 /nfs/dbraw/zinc/35/89/58/893358958.db2.gz ZKEBUYPYKWRJKW-AWEZNQCLSA-N 1 0 383.883 3.954 20 30 GHEDRO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000877119631 893494752 /nfs/dbraw/zinc/49/47/52/893494752.db2.gz JKRAVKUDDJZPLC-RBUKOAKNSA-N 1 0 380.883 3.664 20 30 GHEDRO C[C@@H]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)c(C#N)cc2C1 ZINC001134923267 893587422 /nfs/dbraw/zinc/58/74/22/893587422.db2.gz IEESCHOMFWFBSC-OAHLLOKOSA-N 1 0 378.476 3.909 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459471820 893608695 /nfs/dbraw/zinc/60/86/95/893608695.db2.gz VMUCPUZTYJISFQ-QFIPXVFZSA-N 1 0 376.460 3.564 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459521758 893720293 /nfs/dbraw/zinc/72/02/93/893720293.db2.gz LOYQJLYUALZDNS-JOCHJYFZSA-N 1 0 393.527 3.719 20 30 GHEDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000877615084 893721095 /nfs/dbraw/zinc/72/10/95/893721095.db2.gz MTLKHPBIRSOINH-WGDIFIGCSA-N 1 0 377.469 3.835 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000154737502 893786685 /nfs/dbraw/zinc/78/66/85/893786685.db2.gz OLWVYEHZKUSWGZ-UHFFFAOYSA-N 1 0 394.490 3.756 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)OCc3ccccc3)CC2)cc1 ZINC000877751216 893790207 /nfs/dbraw/zinc/79/02/07/893790207.db2.gz YWPBAECTOFZOCS-GOSISDBHSA-N 1 0 393.487 3.868 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000563482814 893795517 /nfs/dbraw/zinc/79/55/17/893795517.db2.gz KPVUJSNJEMRYBZ-FQEVSTJZSA-N 1 0 384.455 3.909 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)cc1 ZINC000563567706 893913328 /nfs/dbraw/zinc/91/33/28/893913328.db2.gz DDXBPKZNCHONBP-UHFFFAOYSA-N 1 0 392.434 3.768 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000878034053 893967370 /nfs/dbraw/zinc/96/73/70/893967370.db2.gz HNKNQJQHWDYSHO-UHFFFAOYSA-N 1 0 395.532 3.698 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+](CCCO)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000878168773 894068014 /nfs/dbraw/zinc/06/80/14/894068014.db2.gz GMWNOEPAILUDLY-DNQXCXABSA-N 1 0 376.500 3.799 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459716618 894096478 /nfs/dbraw/zinc/09/64/78/894096478.db2.gz PYKIUOKWUAQVDX-GJZGRUSLSA-N 1 0 394.313 3.762 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459733624 894125628 /nfs/dbraw/zinc/12/56/28/894125628.db2.gz QSAXJHBKEMXTOJ-GFCCVEGCSA-N 1 0 379.526 3.788 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC001135162291 894133100 /nfs/dbraw/zinc/13/31/00/894133100.db2.gz UIUWWDHMHPQUIJ-GOTSBHOMSA-N 1 0 388.515 3.830 20 30 GHEDRO CC1(C(=O)OCC[NH+]2CCCCC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805596015 894177234 /nfs/dbraw/zinc/17/72/34/894177234.db2.gz FXNDIWGUWCROME-UHFFFAOYSA-N 1 0 389.927 3.847 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691619 894282847 /nfs/dbraw/zinc/28/28/47/894282847.db2.gz BJTRYNMUCLCFKA-IBGZPJMESA-O 1 0 397.564 3.861 20 30 GHEDRO CNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734772 894336161 /nfs/dbraw/zinc/33/61/61/894336161.db2.gz HQLIBVKLMOHJAT-UHFFFAOYSA-O 1 0 391.516 3.732 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000815949212 894353081 /nfs/dbraw/zinc/35/30/81/894353081.db2.gz GMJKDUFKKXGWOT-UHFFFAOYSA-N 1 0 375.516 3.770 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)c1ccccc1 ZINC000878605776 894430410 /nfs/dbraw/zinc/43/04/10/894430410.db2.gz MKJHLTSPTTZGRT-ZKGSSEMHSA-N 1 0 388.511 3.932 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)c1ccccc1 ZINC000878605770 894431827 /nfs/dbraw/zinc/43/18/27/894431827.db2.gz MKJHLTSPTTZGRT-WSOYEBOPSA-N 1 0 388.511 3.932 20 30 GHEDRO CC(C)(C)c1ccc(C2([NH2+]CC(=O)N(CCC#N)CCC#N)CCCC2)cc1 ZINC000537178408 894502341 /nfs/dbraw/zinc/50/23/41/894502341.db2.gz GQSIGOWTDUAFEH-UHFFFAOYSA-N 1 0 380.536 3.999 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCOCC1 ZINC000537220804 894586392 /nfs/dbraw/zinc/58/63/92/894586392.db2.gz QCZHTOGMQLHRFK-KRWDZBQOSA-N 1 0 375.538 3.622 20 30 GHEDRO C[C@H]1COCC[C@@H]1Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001170816267 894625721 /nfs/dbraw/zinc/62/57/21/894625721.db2.gz IKTPFAOZAIZDKD-UGKGYDQZSA-N 1 0 390.531 3.976 20 30 GHEDRO COc1cc(NCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc(OC)c1 ZINC000564411210 894949873 /nfs/dbraw/zinc/94/98/73/894949873.db2.gz MKGMUSPIJFIKHP-UHFFFAOYSA-N 1 0 379.382 3.796 20 30 GHEDRO Cn1cc([C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2(C)C)cn1 ZINC000565168825 895435418 /nfs/dbraw/zinc/43/54/18/895435418.db2.gz FITSKDLWNSNEDT-SFHVURJKSA-N 1 0 377.410 3.796 20 30 GHEDRO C#C[C@@H](NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC001275447208 913968893 /nfs/dbraw/zinc/96/88/93/913968893.db2.gz FBFPCYNABUOFHA-NPZXAABXSA-N 1 0 382.891 3.784 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)s1 ZINC000817906052 895957852 /nfs/dbraw/zinc/95/78/52/895957852.db2.gz SJVJZCFFLSYVFD-MRXNPFEDSA-N 1 0 390.557 3.814 20 30 GHEDRO COc1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000880879408 895959277 /nfs/dbraw/zinc/95/92/77/895959277.db2.gz ZNYGJRNOMSNFBC-UHFFFAOYSA-N 1 0 393.491 3.732 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C\C(=O)c1ccc(C)cc1)Cc1ccccc1 ZINC001136080057 895991294 /nfs/dbraw/zinc/99/12/94/895991294.db2.gz BJWSIHZMOSKRGE-XOAGPTPASA-N 1 0 378.516 3.803 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000880925673 896002581 /nfs/dbraw/zinc/00/25/81/896002581.db2.gz GVCIAHAANPTDNQ-HOCLYGCPSA-N 1 0 382.430 3.581 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1OC ZINC000818006945 896008078 /nfs/dbraw/zinc/00/80/78/896008078.db2.gz RGHJXJYZPPPUAU-ALCCZGGFSA-N 1 0 399.516 3.835 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccnn1-c1ccccc1 ZINC000565985198 896028353 /nfs/dbraw/zinc/02/83/53/896028353.db2.gz AQOKMSOPDWZECE-UWJYYQICSA-N 1 0 385.471 3.590 20 30 GHEDRO N#CCC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000566026578 896054014 /nfs/dbraw/zinc/05/40/14/896054014.db2.gz XFGKIAVTEAYRHT-HKUYNNGSSA-N 1 0 389.293 3.823 20 30 GHEDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(OCCCC#N)c3)C2)cc1 ZINC000818220944 896085248 /nfs/dbraw/zinc/08/52/48/896085248.db2.gz OZDLAQCXYWHCAM-HXUWFJFHSA-N 1 0 379.504 3.994 20 30 GHEDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)cc1 ZINC000818220756 896085434 /nfs/dbraw/zinc/08/54/34/896085434.db2.gz JNPFZVJSFGDUBB-HXUWFJFHSA-N 1 0 390.531 3.652 20 30 GHEDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(OCc3ccccc3C#N)c1)C[C@@H](C)O2 ZINC000566080754 896095453 /nfs/dbraw/zinc/09/54/53/896095453.db2.gz IVCDPEXGRIPLMI-IMWIBFENSA-N 1 0 392.499 3.906 20 30 GHEDRO C#CCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000818304217 896107524 /nfs/dbraw/zinc/10/75/24/896107524.db2.gz PEHPSLPYTSTGOZ-JOCHJYFZSA-N 1 0 382.548 3.615 20 30 GHEDRO CCN(C(=O)Nc1cccc(CC#N)n1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000881150313 896201086 /nfs/dbraw/zinc/20/10/86/896201086.db2.gz NSNHYQRONUPJHI-PXNSSMCTSA-N 1 0 377.492 3.837 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)c1 ZINC000819066325 896384043 /nfs/dbraw/zinc/38/40/43/896384043.db2.gz AAIIQZZKNVZYDG-MSOLQXFVSA-N 1 0 388.895 3.859 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)ccc1OC ZINC000819067736 896384260 /nfs/dbraw/zinc/38/42/60/896384260.db2.gz IRFKNEJIJSXBBA-YJBOKZPZSA-N 1 0 392.858 3.992 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000819182860 896452612 /nfs/dbraw/zinc/45/26/12/896452612.db2.gz IVWJHSGXKQHOOL-KNQAVFIVSA-N 1 0 387.524 3.773 20 30 GHEDRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C(=O)OC(C)(C)C ZINC000819205690 896478724 /nfs/dbraw/zinc/47/87/24/896478724.db2.gz OXUAOWZBWBHGMR-FQEVSTJZSA-N 1 0 395.503 3.543 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000819257223 896497820 /nfs/dbraw/zinc/49/78/20/896497820.db2.gz BIRBQGMVTRFQQO-QFBILLFUSA-N 1 0 376.287 3.767 20 30 GHEDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000819232833 896522999 /nfs/dbraw/zinc/52/29/99/896522999.db2.gz PYXWOWCMSCMHIT-MOPGFXCFSA-N 1 0 377.410 3.503 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CCNc2ccc([NH+]3CCCCCC3)cc2)c1 ZINC000819395715 896621386 /nfs/dbraw/zinc/62/13/86/896621386.db2.gz RSFQMQLTINDHPM-UHFFFAOYSA-N 1 0 383.517 3.824 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000567165193 896930388 /nfs/dbraw/zinc/93/03/88/896930388.db2.gz SMUAELBPDWQCKR-MOPGFXCFSA-N 1 0 375.538 3.730 20 30 GHEDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)C[N@@H+]2C1 ZINC001136265065 896951345 /nfs/dbraw/zinc/95/13/45/896951345.db2.gz OJTNJDDGRGQGOT-AYBZRNKSSA-N 1 0 376.460 3.804 20 30 GHEDRO Cc1cc(Br)cnc1N=NC1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000819828007 897012081 /nfs/dbraw/zinc/01/20/81/897012081.db2.gz RDZXRHAEEIZAHB-AWEZNQCLSA-N 1 0 388.313 3.857 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000567342980 897076954 /nfs/dbraw/zinc/07/69/54/897076954.db2.gz HLHYUTZCLJYTAK-ZDUSSCGKSA-N 1 0 396.413 3.795 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC001275473866 914148938 /nfs/dbraw/zinc/14/89/38/914148938.db2.gz HYJGQJOLSWCCQL-QUCCMNQESA-N 1 0 397.316 3.762 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NCc2ccon2)cc1 ZINC000131199135 897355647 /nfs/dbraw/zinc/35/56/47/897355647.db2.gz CUDHZJLUYMDIBL-UHFFFAOYSA-O 1 0 394.520 3.924 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)[C@@H]1CCCO1 ZINC000883220920 897381159 /nfs/dbraw/zinc/38/11/59/897381159.db2.gz RCVAVPPLPNIMBQ-JTAQYXEDSA-N 1 0 397.519 3.515 20 30 GHEDRO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)o1 ZINC000567803515 897410405 /nfs/dbraw/zinc/41/04/05/897410405.db2.gz IFQACHOTUCVPTF-UHFFFAOYSA-N 1 0 376.412 3.903 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC=C(c2ccccn2)C1 ZINC000568410695 897816183 /nfs/dbraw/zinc/81/61/83/897816183.db2.gz VMSZJUSGAGKHFZ-KRWDZBQOSA-N 1 0 378.451 3.645 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CC(C)C)c2cc(Cl)ccc2OC)CC1 ZINC000132710001 897880131 /nfs/dbraw/zinc/88/01/31/897880131.db2.gz IIOVRSDCWVXWTA-IBGZPJMESA-N 1 0 376.928 3.897 20 30 GHEDRO CCOCc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000102539605 898013414 /nfs/dbraw/zinc/01/34/14/898013414.db2.gz YSPGYHYSPWFWOO-UHFFFAOYSA-N 1 0 392.503 3.835 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC001136557294 898271832 /nfs/dbraw/zinc/27/18/32/898271832.db2.gz YIPAGGLRUVFLMM-KRWDZBQOSA-N 1 0 398.334 3.821 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000569095974 898339738 /nfs/dbraw/zinc/33/97/38/898339738.db2.gz OFADHOJACYMEOA-ZAAXVRCTSA-N 1 0 391.298 3.945 20 30 GHEDRO C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000884087374 898833027 /nfs/dbraw/zinc/83/30/27/898833027.db2.gz ATGGLFXCGFKJFY-MWLJIBPKSA-N 1 0 393.462 3.935 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000112521899 898886524 /nfs/dbraw/zinc/88/65/24/898886524.db2.gz YWNHHLNONNGVAQ-JKSUJKDBSA-N 1 0 385.533 3.960 20 30 GHEDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114687592 899105440 /nfs/dbraw/zinc/10/54/40/899105440.db2.gz KECQLZKCJZYHNA-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570077286 899107395 /nfs/dbraw/zinc/10/73/95/899107395.db2.gz ZYKBFZSWYBNOFF-MOPGFXCFSA-N 1 0 379.504 3.581 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)c4ncccc4c3)CC2)c1 ZINC000824252471 899495600 /nfs/dbraw/zinc/49/56/00/899495600.db2.gz BGUBOCFEJHIXRY-UHFFFAOYSA-N 1 0 388.446 3.640 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000570675778 899498785 /nfs/dbraw/zinc/49/87/85/899498785.db2.gz ATVZGCVQDKAHGO-DYVFJYSZSA-N 1 0 392.956 3.629 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000119244336 899567851 /nfs/dbraw/zinc/56/78/51/899567851.db2.gz TUKXXEZPBACPQU-UHFFFAOYSA-N 1 0 391.924 3.616 20 30 GHEDRO CC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000119253240 899570606 /nfs/dbraw/zinc/57/06/06/899570606.db2.gz JQTMIFLYOUHXAM-UHFFFAOYSA-N 1 0 390.487 3.809 20 30 GHEDRO Cc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000570780215 899585268 /nfs/dbraw/zinc/58/52/68/899585268.db2.gz AQGUALXGTZZZOZ-LIRRHRJNSA-N 1 0 397.544 3.705 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3ccnc4ccccc43)CC2)c1 ZINC000570863764 899650478 /nfs/dbraw/zinc/65/04/78/899650478.db2.gz KHGUYYPPGMBLIN-UHFFFAOYSA-N 1 0 384.483 3.602 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000120578450 899846132 /nfs/dbraw/zinc/84/61/32/899846132.db2.gz USWUWVVZSAIALL-JTSKRJEESA-N 1 0 377.488 3.549 20 30 GHEDRO N#Cc1ccc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000571371078 899849031 /nfs/dbraw/zinc/84/90/31/899849031.db2.gz HZALBWTYQADVSA-UHFFFAOYSA-N 1 0 394.475 3.950 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000571846755 899988184 /nfs/dbraw/zinc/98/81/84/899988184.db2.gz GTEXWFAXYMQWCG-BEFAXECRSA-N 1 0 383.458 3.804 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cscc3Cl)CC2)c1 ZINC000884449801 900087340 /nfs/dbraw/zinc/08/73/40/900087340.db2.gz OKGMHNSBKVVXBK-UHFFFAOYSA-N 1 0 388.924 3.737 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000825337633 900102771 /nfs/dbraw/zinc/10/27/71/900102771.db2.gz HRZXWWCOLNIXQI-ACJLOTCBSA-N 1 0 375.266 3.563 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1 ZINC000572502376 900205271 /nfs/dbraw/zinc/20/52/71/900205271.db2.gz PZGGEGFIJAOCPR-UHFFFAOYSA-N 1 0 399.434 3.964 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1 ZINC000135267287 900212447 /nfs/dbraw/zinc/21/24/47/900212447.db2.gz QJKOSDGCCOPXRF-OAHLLOKOSA-N 1 0 384.455 3.979 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2OCC#N)[NH+]2CCCC2)o1 ZINC000135302620 900219186 /nfs/dbraw/zinc/21/91/86/900219186.db2.gz KOPMJKCIKXGCOR-QGZVFWFLSA-N 1 0 386.427 3.588 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135322620 900223686 /nfs/dbraw/zinc/22/36/86/900223686.db2.gz IHXCTHGBSNLPDI-IYBDPMFKSA-N 1 0 376.476 3.608 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc(OC)c1OC ZINC000844050219 900472362 /nfs/dbraw/zinc/47/23/62/900472362.db2.gz XVMWAQNLOXXZBT-RTWAWAEBSA-N 1 0 394.515 3.508 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157392204 900497325 /nfs/dbraw/zinc/49/73/25/900497325.db2.gz HLMMBZHXEBDSNX-QHCPKHFHSA-N 1 0 376.504 3.754 20 30 GHEDRO OC[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(OC(F)(F)F)cc1F ZINC001143781180 900525150 /nfs/dbraw/zinc/52/51/50/900525150.db2.gz LDLNPSFYEAHOCH-DGCLKSJQSA-N 1 0 375.284 3.860 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1sccc1Br)CC2 ZINC001275516097 914461052 /nfs/dbraw/zinc/46/10/52/914461052.db2.gz SPDNZWBAAWCGNN-UHFFFAOYSA-N 1 0 383.355 3.901 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC)c(OC(F)(F)F)c1)CC2 ZINC001143870940 900649588 /nfs/dbraw/zinc/64/95/88/900649588.db2.gz RNUAGIFVOHHADN-UHFFFAOYSA-N 1 0 398.425 3.737 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000573838722 900655841 /nfs/dbraw/zinc/65/58/41/900655841.db2.gz NNPOGFAVLHHHIP-LIRRHRJNSA-N 1 0 387.911 3.820 20 30 GHEDRO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886035096 900684030 /nfs/dbraw/zinc/68/40/30/900684030.db2.gz JFFJYDPMYKGBPD-IBGZPJMESA-N 1 0 391.556 3.543 20 30 GHEDRO O=C(c1ccc2c(c1)OCCO2)C(C(=S)NC1CCCCC1)[n+]1ccccc1 ZINC000044558326 900731361 /nfs/dbraw/zinc/73/13/61/900731361.db2.gz RHHOEYZSUHSXQZ-UHFFFAOYSA-O 1 0 397.520 3.606 20 30 GHEDRO N#Cc1ccc2ncc(CNc3ccc(OCC[NH+]4CCCCC4)cc3)n2c1 ZINC000136616543 900732274 /nfs/dbraw/zinc/73/22/74/900732274.db2.gz GFAIZBKCQUPJDT-UHFFFAOYSA-N 1 0 375.476 3.683 20 30 GHEDRO Cc1ccc(-c2noc(CCC[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)n2)cc1F ZINC000844370978 900737001 /nfs/dbraw/zinc/73/70/01/900737001.db2.gz VQPQVAFMVUAISB-FQEVSTJZSA-N 1 0 394.450 3.654 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844371965 900738892 /nfs/dbraw/zinc/73/88/92/900738892.db2.gz RGGKOVULDTYQKO-IBGZPJMESA-N 1 0 389.908 3.585 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000574033681 900752280 /nfs/dbraw/zinc/75/22/80/900752280.db2.gz QNYVNMRCSZFSCV-QGZVFWFLSA-N 1 0 380.540 3.535 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000844356041 900759117 /nfs/dbraw/zinc/75/91/17/900759117.db2.gz FAOSUYMXCHJLFV-AVRDEDQJSA-N 1 0 391.556 3.714 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCC2)ccc1OCc1ccncc1 ZINC000886107509 900789120 /nfs/dbraw/zinc/78/91/20/900789120.db2.gz STHOUSWOIHXZIR-FXAWDEMLSA-N 1 0 395.503 3.765 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844376404 900805728 /nfs/dbraw/zinc/80/57/28/900805728.db2.gz UATLNCNIANIMGC-OAQYLSRUSA-N 1 0 383.879 3.524 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000157854701 900859141 /nfs/dbraw/zinc/85/91/41/900859141.db2.gz IVALUHATFZJFEL-ROUUACIJSA-N 1 0 395.478 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886218624 900892199 /nfs/dbraw/zinc/89/21/99/900892199.db2.gz ZIXXFZYFQMRISD-OTWHNJEPSA-N 1 0 391.556 3.543 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000574441300 900894580 /nfs/dbraw/zinc/89/45/80/900894580.db2.gz HEOYCRPFALPBND-FPOVZHCZSA-N 1 0 382.895 3.575 20 30 GHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(C)cc1 ZINC000063440599 900950319 /nfs/dbraw/zinc/95/03/19/900950319.db2.gz ZMFLFGQLBRMPRZ-UHFFFAOYSA-O 1 0 386.541 3.622 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000844611529 901108641 /nfs/dbraw/zinc/10/86/41/901108641.db2.gz JQMAHIURSNDKKJ-VGOFRKELSA-N 1 0 378.476 3.764 20 30 GHEDRO C=CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)cc1OC ZINC000575095403 901118885 /nfs/dbraw/zinc/11/88/85/901118885.db2.gz IHQWDHLWZJCSDF-CYFREDJKSA-N 1 0 397.515 3.802 20 30 GHEDRO C#CCN(C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)C1CC[NH+](C)CC1 ZINC000886582543 901176814 /nfs/dbraw/zinc/17/68/14/901176814.db2.gz YOYRRDXDCJKFSA-UHFFFAOYSA-N 1 0 397.544 3.767 20 30 GHEDRO C=C(C(=O)N(c1cc(OC)cc2cccnc21)[C@H](C)CCC[NH3+])C(F)(F)F ZINC001144213196 901266712 /nfs/dbraw/zinc/26/67/12/901266712.db2.gz IPHNUPMGHIWVGO-GFCCVEGCSA-N 1 0 381.398 3.822 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C ZINC001144203571 901282017 /nfs/dbraw/zinc/28/20/17/901282017.db2.gz BNRXACKKBGZTBG-XMSQKQJNSA-N 1 0 393.572 3.591 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc([C@H]4CCCC(=O)N4)c3)CC2)cc1 ZINC000886806790 901282297 /nfs/dbraw/zinc/28/22/97/901282297.db2.gz YWVXUSSBPFFIPO-HSZRJFAPSA-N 1 0 388.515 3.976 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1C#N ZINC000886827301 901289426 /nfs/dbraw/zinc/28/94/26/901289426.db2.gz IZSPPJTWAWGUJA-XLIONFOSSA-N 1 0 384.524 3.531 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)ccc1OC ZINC000093010691 901525684 /nfs/dbraw/zinc/52/56/84/901525684.db2.gz NCKDLALMFXGQQK-UHFFFAOYSA-N 1 0 398.503 3.946 20 30 GHEDRO C#CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CCCc2ccccc21 ZINC000887232747 901612858 /nfs/dbraw/zinc/61/28/58/901612858.db2.gz WSRSXHGMSALNNE-IFMALSPDSA-N 1 0 382.573 3.743 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386755 901975454 /nfs/dbraw/zinc/97/54/54/901975454.db2.gz MUSOMSZRAIJXID-RTBURBONSA-N 1 0 385.426 3.985 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C#N)s1 ZINC000576502127 902060260 /nfs/dbraw/zinc/06/02/60/902060260.db2.gz DNRPUYFCFWMBEP-INIZCTEOSA-N 1 0 382.533 3.994 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3nc(Cl)ccc13)CCO2 ZINC001144412065 902076088 /nfs/dbraw/zinc/07/60/88/902076088.db2.gz FFHHIGSHSPGIGN-OXQOHEQNSA-N 1 0 375.900 3.790 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000125427732 902211041 /nfs/dbraw/zinc/21/10/41/902211041.db2.gz ZGQKPOHGCJOKDA-CVEARBPZSA-N 1 0 378.542 3.559 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000576738351 902227070 /nfs/dbraw/zinc/22/70/70/902227070.db2.gz WVQUASLMTZZNCM-UHFFFAOYSA-N 1 0 396.878 3.953 20 30 GHEDRO C[C@@H]1CN(CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)O1 ZINC000047699431 902298506 /nfs/dbraw/zinc/29/85/06/902298506.db2.gz DLFPXJLYMJMHQX-WOJBJXKFSA-N 1 0 393.531 3.726 20 30 GHEDRO CNC(=O)c1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000047701283 902298536 /nfs/dbraw/zinc/29/85/36/902298536.db2.gz DRMORWSCIPFSSH-UHFFFAOYSA-N 1 0 385.467 3.787 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333767097 902319202 /nfs/dbraw/zinc/31/92/02/902319202.db2.gz QMHVRUIAVWYJJM-GZRZCRQQSA-N 1 0 387.568 3.587 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333767098 902319404 /nfs/dbraw/zinc/31/94/04/902319404.db2.gz QMHVRUIAVWYJJM-MCGOBGFWSA-N 1 0 387.568 3.587 20 30 GHEDRO CN(CCc1ccccc1F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845738937 902329590 /nfs/dbraw/zinc/32/95/90/902329590.db2.gz CSTQWAUAOPTOJO-UHFFFAOYSA-N 1 0 394.494 3.546 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)cc1 ZINC001144580794 902392803 /nfs/dbraw/zinc/39/28/03/902392803.db2.gz JVQOMNXXQQNKTM-UHFFFAOYSA-N 1 0 383.495 3.964 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCOC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001144568310 902399850 /nfs/dbraw/zinc/39/98/50/902399850.db2.gz QBNQOYXNBWXKMP-QHCPKHFHSA-N 1 0 384.520 3.517 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)cc1 ZINC001144572135 902404028 /nfs/dbraw/zinc/40/40/28/902404028.db2.gz RDZKUJFHUBAIRH-DNQXCXABSA-N 1 0 376.500 3.651 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000263779285 902517695 /nfs/dbraw/zinc/51/76/95/902517695.db2.gz VVQSILRPBXTYCX-XMSQKQJNSA-N 1 0 391.519 3.710 20 30 GHEDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000846006030 902587160 /nfs/dbraw/zinc/58/71/60/902587160.db2.gz GDLGZTRSYUXIIV-LJQANCHMSA-N 1 0 377.410 3.808 20 30 GHEDRO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000846055078 902642384 /nfs/dbraw/zinc/64/23/84/902642384.db2.gz GFGPCVHYBYQOLV-DYESRHJHSA-N 1 0 393.535 3.998 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001171211461 902648666 /nfs/dbraw/zinc/64/86/66/902648666.db2.gz DMJPMSBGIUWUJG-LJQANCHMSA-N 1 0 388.515 3.513 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3c[nH]c4cc(Br)cnc34)CC2)c1 ZINC001144706679 902673600 /nfs/dbraw/zinc/67/36/00/902673600.db2.gz JOCDOSGYIBWYHK-UHFFFAOYSA-N 1 0 396.292 3.519 20 30 GHEDRO CCOCOc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000846107790 902682958 /nfs/dbraw/zinc/68/29/58/902682958.db2.gz RTDPYFGFXWNWRY-UHFFFAOYSA-N 1 0 379.504 3.685 20 30 GHEDRO CC1(C)COc2c1cccc2C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000577338415 902695097 /nfs/dbraw/zinc/69/50/97/902695097.db2.gz CTXNBWUYEFUSTI-UHFFFAOYSA-N 1 0 389.499 3.645 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001171212818 902705100 /nfs/dbraw/zinc/70/51/00/902705100.db2.gz QEWMRMQMELGHAZ-VEXUSMLFSA-N 1 0 391.515 3.725 20 30 GHEDRO CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171213093 902708110 /nfs/dbraw/zinc/70/81/10/902708110.db2.gz UHVYFOJFJGIYOE-MRXNPFEDSA-N 1 0 396.560 3.529 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3ccccc3CC#N)C2)s1 ZINC000846101426 902716189 /nfs/dbraw/zinc/71/61/89/902716189.db2.gz JMXLYAFUBWKLOY-SFHVURJKSA-N 1 0 381.545 3.646 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@H]12 ZINC001171215944 902721147 /nfs/dbraw/zinc/72/11/47/902721147.db2.gz FBNDSYDBQRBJLJ-LQGLAIQGSA-N 1 0 387.527 3.754 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000047987408 902723469 /nfs/dbraw/zinc/72/34/69/902723469.db2.gz MMTXXZXBAUKTOE-FQEVSTJZSA-N 1 0 382.895 3.848 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC001171215622 902748205 /nfs/dbraw/zinc/74/82/05/902748205.db2.gz BYDQPASRJSKYEQ-WMZHIEFXSA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001171215699 902749403 /nfs/dbraw/zinc/74/94/03/902749403.db2.gz CXTFFNRWQDAUQO-UWJYYQICSA-N 1 0 397.473 3.517 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@H](C)Cc4cccc(C#N)c4)C3)C2=O)c1 ZINC001171217343 902755581 /nfs/dbraw/zinc/75/55/81/902755581.db2.gz OUMCWIKRAUGUHY-CJFMBICVSA-N 1 0 387.527 3.922 20 30 GHEDRO CN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000159250149 902762775 /nfs/dbraw/zinc/76/27/75/902762775.db2.gz YHQRVJDWSLIUFC-UHFFFAOYSA-N 1 0 383.879 3.963 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001171218986 902790667 /nfs/dbraw/zinc/79/06/67/902790667.db2.gz YHUPKEJKRZHLAB-LJQANCHMSA-N 1 0 388.515 3.541 20 30 GHEDRO N#Cc1cc(F)c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(F)c1 ZINC000129380648 902800668 /nfs/dbraw/zinc/80/06/68/902800668.db2.gz KPQPWPNGNQDCST-UHFFFAOYSA-N 1 0 387.455 3.680 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001171218759 902821914 /nfs/dbraw/zinc/82/19/14/902821914.db2.gz WRWYYGRAZNBDKB-WNOPAQSVSA-N 1 0 391.515 3.834 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000600716875 902841773 /nfs/dbraw/zinc/84/17/73/902841773.db2.gz MYKFSLAAXDAJLC-QFIPXVFZSA-N 1 0 388.467 3.667 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CCOCC1 ZINC000600719722 902842883 /nfs/dbraw/zinc/84/28/83/902842883.db2.gz WEKFHHGEUNNBCA-IBGZPJMESA-N 1 0 384.451 3.779 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)CCOCC1 ZINC000600735307 902858170 /nfs/dbraw/zinc/85/81/70/902858170.db2.gz NKLXGYRYVJWEKT-QGZVFWFLSA-N 1 0 394.918 3.952 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(c3ccc(Br)cc3Cl)CC2)CC1 ZINC000600736732 902859271 /nfs/dbraw/zinc/85/92/71/902859271.db2.gz ANHNQPJZOLCAQT-CYBMUJFWSA-N 1 0 383.717 3.778 20 30 GHEDRO N#Cc1ccc(SCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000264224827 902937362 /nfs/dbraw/zinc/93/73/62/902937362.db2.gz WVYDHXJYJYXIPJ-QGZVFWFLSA-N 1 0 385.558 3.740 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000600896906 903063804 /nfs/dbraw/zinc/06/38/04/903063804.db2.gz HXGNJCCMXILNOU-UHFFFAOYSA-N 1 0 393.531 3.977 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1OC ZINC000772951389 903168463 /nfs/dbraw/zinc/16/84/63/903168463.db2.gz DIXUVKNCMKSHKY-INIZCTEOSA-N 1 0 378.476 3.864 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000577773627 903174028 /nfs/dbraw/zinc/17/40/28/903174028.db2.gz XXQYWECHDBQPOI-UHFFFAOYSA-N 1 0 383.515 3.973 20 30 GHEDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(-c2cnn(C)c2)c1 ZINC000577782570 903183381 /nfs/dbraw/zinc/18/33/81/903183381.db2.gz CMLFTEFKYXJUSJ-UHFFFAOYSA-N 1 0 387.531 3.831 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000264662841 903293499 /nfs/dbraw/zinc/29/34/99/903293499.db2.gz SPVJUUSIUMHMFO-UHFFFAOYSA-N 1 0 391.515 3.888 20 30 GHEDRO N#CCOc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000264782571 903377322 /nfs/dbraw/zinc/37/73/22/903377322.db2.gz ZDIJSTQWPMPQOG-SEJPIABJSA-N 1 0 390.487 3.906 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3sccc3C#N)cc[nH+]2)CC1 ZINC001212834880 903417092 /nfs/dbraw/zinc/41/70/92/903417092.db2.gz CWYHPVAMKUXCLR-UHFFFAOYSA-N 1 0 385.493 3.815 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccccc3C#N)cc[nH+]2)CC1 ZINC001212837180 903500157 /nfs/dbraw/zinc/50/01/57/903500157.db2.gz YIORUMJDHUMCBN-UHFFFAOYSA-N 1 0 379.464 3.754 20 30 GHEDRO CC(=O)N1CCCc2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC001171276600 903520677 /nfs/dbraw/zinc/52/06/77/903520677.db2.gz FXWZANRJNWUYJV-UHFFFAOYSA-N 1 0 388.515 3.956 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(F)c2c1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171281870 903585708 /nfs/dbraw/zinc/58/57/08/903585708.db2.gz RKMNSOLXAQGIMF-UHFFFAOYSA-N 1 0 395.869 3.921 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC001147104140 903697880 /nfs/dbraw/zinc/69/78/80/903697880.db2.gz JJMQRXWOUCMHOO-FQEVSTJZSA-N 1 0 377.488 3.740 20 30 GHEDRO COc1ccc(CN2CC[C@@H]2C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC001147578745 903827257 /nfs/dbraw/zinc/82/72/57/903827257.db2.gz PJSHIYMQLPCQMC-DNVJHFABSA-N 1 0 389.499 3.568 20 30 GHEDRO N#CC1(CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)CCCCC1 ZINC000578496815 903905474 /nfs/dbraw/zinc/90/54/74/903905474.db2.gz FFSHRWRUXBLFJP-VGOFRKELSA-N 1 0 392.507 3.744 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000150815931 904027870 /nfs/dbraw/zinc/02/78/70/904027870.db2.gz MSQDEVVEGIIPDJ-HXUWFJFHSA-N 1 0 393.487 3.821 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000772988927 904047675 /nfs/dbraw/zinc/04/76/75/904047675.db2.gz UHAOHVQSDDXQRG-UHFFFAOYSA-N 1 0 382.891 3.746 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000151149582 904076725 /nfs/dbraw/zinc/07/67/25/904076725.db2.gz HQOPITAAEUCQRN-AYHJJNSGSA-N 1 0 381.426 3.762 20 30 GHEDRO COC(=O)c1ccc(OC)c(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c1 ZINC001137248739 904136993 /nfs/dbraw/zinc/13/69/93/904136993.db2.gz IHGWXMLPWDLMIS-UHFFFAOYSA-N 1 0 378.472 3.808 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000578922395 904227743 /nfs/dbraw/zinc/22/77/43/904227743.db2.gz SWBJLZPPLDRWKS-CTNGQTDRSA-N 1 0 382.895 3.575 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)CC1 ZINC001148952296 904255404 /nfs/dbraw/zinc/25/54/04/904255404.db2.gz DODPSAYCVOWERH-UHFFFAOYSA-N 1 0 379.548 3.949 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000579134342 904369978 /nfs/dbraw/zinc/36/99/78/904369978.db2.gz KDLZZGOYFIPXJW-LJQANCHMSA-N 1 0 387.936 3.864 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000773107804 904440879 /nfs/dbraw/zinc/44/08/79/904440879.db2.gz NTCUOHRQRGCDAY-LDQXTDLNSA-N 1 0 375.896 3.953 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CCCC2)nc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104163451 904546328 /nfs/dbraw/zinc/54/63/28/904546328.db2.gz PMVCTGMGEAKSHO-UHFFFAOYSA-N 1 0 379.386 3.507 20 30 GHEDRO COc1cccc(Oc2ccc(CNC(=[NH2+])NCCc3ccccc3)cn2)c1 ZINC000104164853 904546355 /nfs/dbraw/zinc/54/63/55/904546355.db2.gz DYZVKFAEWVEWQR-UHFFFAOYSA-N 1 0 376.460 3.530 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000579411558 904576260 /nfs/dbraw/zinc/57/62/60/904576260.db2.gz RISVLQYMOWRBOO-ZWKOTPCHSA-N 1 0 376.508 3.558 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)CC1 ZINC001171534172 904759989 /nfs/dbraw/zinc/75/99/89/904759989.db2.gz SVUYLYSLANHNEI-HNNXBMFYSA-N 1 0 394.437 3.682 20 30 GHEDRO COC(=O)C1(Nc2ccc(CC#N)c(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171506942 904784238 /nfs/dbraw/zinc/78/42/38/904784238.db2.gz IOJFUCLQPHMEGC-UHFFFAOYSA-N 1 0 377.488 3.681 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1ccccc1CC#N)[NH2+][C@H](C)c1ccccc1 ZINC001186858558 914865978 /nfs/dbraw/zinc/86/59/78/914865978.db2.gz NALQTZQGAUJFES-GOSISDBHSA-N 1 0 399.560 3.941 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000173808593 905132081 /nfs/dbraw/zinc/13/20/81/905132081.db2.gz FMBVIWHNOSGWOM-KRWDZBQOSA-N 1 0 381.476 3.534 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000173971530 905173419 /nfs/dbraw/zinc/17/34/19/905173419.db2.gz IXDMOTPWJYNUCP-UHFFFAOYSA-N 1 0 391.519 3.520 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](C1CCC(C(=O)OC(C)(C)C)CC1)CCC2 ZINC001171923059 905177896 /nfs/dbraw/zinc/17/78/96/905177896.db2.gz BWXKAWWXPDDNMA-UHFFFAOYSA-N 1 0 389.540 3.692 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171926827 905181214 /nfs/dbraw/zinc/18/12/14/905181214.db2.gz PVVGGAGEIBVGOC-OZODEMHJSA-N 1 0 379.541 3.713 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc(C#N)c3C)CC[N@@H+]2C2CC2)c1 ZINC000189740886 905281341 /nfs/dbraw/zinc/28/13/41/905281341.db2.gz VSPZBIAVGZQAQF-FCHUYYIVSA-N 1 0 390.487 3.975 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000174776559 905343797 /nfs/dbraw/zinc/34/37/97/905343797.db2.gz BIVKSCKIBUHDQD-LBPRGKRZSA-N 1 0 376.448 3.563 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000801570076 921140651 /nfs/dbraw/zinc/14/06/51/921140651.db2.gz ATQLJLWJFSGYPP-FQEVSTJZSA-N 1 0 377.488 3.534 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C1 ZINC001172182303 905398610 /nfs/dbraw/zinc/39/86/10/905398610.db2.gz KXATUFPFKXNOEY-SMIHKQSGSA-N 1 0 399.538 3.972 20 30 GHEDRO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]Cc2ncc(C#N)s2)CC1 ZINC001172210769 905410211 /nfs/dbraw/zinc/41/02/11/905410211.db2.gz KHLRTVSEUHJBQY-UHFFFAOYSA-N 1 0 389.908 3.811 20 30 GHEDRO C=C[C@@H]([NH2+][C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1)c1ccccc1 ZINC001172268422 905436941 /nfs/dbraw/zinc/43/69/41/905436941.db2.gz UDWAJZBXAPPJJW-CIAFKFPVSA-N 1 0 393.483 3.815 20 30 GHEDRO COCCC[NH+]1CCC(NC2=C(c3ccccc3)C(=O)c3ccccc32)CC1 ZINC001172247779 905446212 /nfs/dbraw/zinc/44/62/12/905446212.db2.gz WCXBFLDWMGOOKH-UHFFFAOYSA-N 1 0 376.500 3.842 20 30 GHEDRO Cc1cccc(N([C@H](C)Cc2ccc(C#N)cc2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001172303414 905456451 /nfs/dbraw/zinc/45/64/51/905456451.db2.gz CVKOYUPNFFABCW-CTUHWIOQSA-N 1 0 375.516 3.825 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001172303621 905456788 /nfs/dbraw/zinc/45/67/88/905456788.db2.gz FHYSZCJIZCPODM-SFHVURJKSA-N 1 0 377.488 3.853 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)c1ccc(Br)c(F)c1 ZINC001172303498 905457224 /nfs/dbraw/zinc/45/72/24/905457224.db2.gz YTCCGTBXVALQQK-GFCCVEGCSA-N 1 0 375.241 3.863 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001172305979 905461377 /nfs/dbraw/zinc/46/13/77/905461377.db2.gz AYPHGVSYNICIIS-IBGZPJMESA-N 1 0 388.515 3.541 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN([C@H](C)Cc4ccc(C#N)cc4)CC[N@@H+]3C2)cc1 ZINC001172306440 905461547 /nfs/dbraw/zinc/46/15/47/905461547.db2.gz KBWPJNQPEYPEGK-WNOPAQSVSA-N 1 0 375.516 3.635 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001172307087 905463648 /nfs/dbraw/zinc/46/36/48/905463648.db2.gz ZXMAYEPIASIRLR-ZOSUSCCZSA-N 1 0 399.538 3.993 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001172309017 905465106 /nfs/dbraw/zinc/46/51/06/905465106.db2.gz QGNQCGHPRMVGJR-RKNIQEAPSA-N 1 0 391.515 3.723 20 30 GHEDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+]([C@H](C)Cc4ccc(C#N)cc4)C3)C2)n1 ZINC001172309227 905465463 /nfs/dbraw/zinc/46/54/63/905465463.db2.gz RQGKBPSZNPIKNQ-FOVJLYNBSA-N 1 0 391.515 3.643 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001172310526 905467557 /nfs/dbraw/zinc/46/75/57/905467557.db2.gz ZOPNDSRZKFEUIZ-WNOPAQSVSA-N 1 0 391.515 3.834 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001172311273 905468994 /nfs/dbraw/zinc/46/89/94/905468994.db2.gz RDTCWVJGLZNIER-CQSZACIVSA-N 1 0 395.304 3.999 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001172290894 905480335 /nfs/dbraw/zinc/48/03/35/905480335.db2.gz UGIJICALILKSAX-PXNSSMCTSA-N 1 0 399.535 3.637 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001172354768 905523724 /nfs/dbraw/zinc/52/37/24/905523724.db2.gz KQLFJDCEUBBOEB-XPNTWCBSSA-N 1 0 394.600 3.713 20 30 GHEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2nccn2C[C@H](Cn2ncccc2=O)C1 ZINC001172354330 905524225 /nfs/dbraw/zinc/52/42/25/905524225.db2.gz GOYOVXUJRJTEGO-PMACEKPBSA-N 1 0 385.556 3.711 20 30 GHEDRO CCCCCCC[C@@H](CC)n1nncc1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001172355638 905526326 /nfs/dbraw/zinc/52/63/26/905526326.db2.gz PLTDKXWTIWAIFA-IFMALSPDSA-N 1 0 391.604 3.792 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001172356848 905527197 /nfs/dbraw/zinc/52/71/97/905527197.db2.gz YTMVPIYCXCXNAI-UWHLTILDSA-N 1 0 390.572 3.521 20 30 GHEDRO COC(=O)c1ccc([C@@H](C[NH2+][C@H](C)CCCC#N)NC(=O)OC(C)(C)C)cc1 ZINC001172491582 905596274 /nfs/dbraw/zinc/59/62/74/905596274.db2.gz OEPRKZLBSYJOMP-CRAIPNDOSA-N 1 0 389.496 3.711 20 30 GHEDRO COc1ccc(NC(=O)c2nc3c(s2)CC[N@@H+]([C@H](C)CCCC#N)CC3)cc1 ZINC001172494933 905598041 /nfs/dbraw/zinc/59/80/41/905598041.db2.gz ACOBJNGYFJPSFP-OAHLLOKOSA-N 1 0 398.532 3.887 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172497114 905598635 /nfs/dbraw/zinc/59/86/35/905598635.db2.gz YCYXHXYTUMJAPD-QGZVFWFLSA-N 1 0 379.545 3.949 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000176935846 905990772 /nfs/dbraw/zinc/99/07/72/905990772.db2.gz LFTXJTLOWKJWNV-ROUUACIJSA-N 1 0 384.524 3.610 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)cs3)c(C(F)(F)F)c2)CC1 ZINC000176955013 905996441 /nfs/dbraw/zinc/99/64/41/905996441.db2.gz VGEYEZQZQPTMBU-UHFFFAOYSA-N 1 0 394.422 3.643 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000628189336 906003982 /nfs/dbraw/zinc/00/39/82/906003982.db2.gz YADKDRNNAOIOHV-OAHLLOKOSA-N 1 0 375.900 3.712 20 30 GHEDRO N#CCCn1cc(CNC2CC[NH+](C3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000176992190 906016348 /nfs/dbraw/zinc/01/63/48/906016348.db2.gz SAXGYGFLUGQURE-UHFFFAOYSA-N 1 0 377.536 3.960 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](N(CC[NH3+])c2cccc3ccccc32)C[C@H]1C#N ZINC001172965949 906025715 /nfs/dbraw/zinc/02/57/15/906025715.db2.gz KXTHJZHTDKRBOU-OALUTQOASA-N 1 0 394.519 3.897 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(CC3CCC3)CCOCC2)C[C@H]1C#N ZINC001172977885 906044662 /nfs/dbraw/zinc/04/46/62/906044662.db2.gz JBZMCBGAWSJNFO-ROUUACIJSA-N 1 0 377.529 3.607 20 30 GHEDRO COc1cccc2c1c(C[NH3+])cn2[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981869 906047310 /nfs/dbraw/zinc/04/73/10/906047310.db2.gz PCWROKQBFBFEAC-CVEARBPZSA-N 1 0 384.480 3.573 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1F ZINC001172985019 906052150 /nfs/dbraw/zinc/05/21/50/906052150.db2.gz NVWSZVRNHAECIG-BPUTZDHNSA-N 1 0 377.460 3.777 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21 ZINC000177919522 906244329 /nfs/dbraw/zinc/24/43/29/906244329.db2.gz QVUYEOLXJUELSM-YCRNBWNJSA-N 1 0 390.531 3.544 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3ccc(C#N)cc3OC(F)(F)F)c2)CC1 ZINC001212713815 906298097 /nfs/dbraw/zinc/29/80/97/906298097.db2.gz LOIHLKVQWWFWES-UHFFFAOYSA-N 1 0 376.382 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H]([NH2+]C1CCC(CC#N)CC1)CCO2 ZINC001173326042 906373424 /nfs/dbraw/zinc/37/34/24/906373424.db2.gz RATLJPROLAHJBB-XVAHUTHZSA-N 1 0 377.529 3.607 20 30 GHEDRO CCN(CCCC[NH2+]C1CCC(CC#N)CC1)c1ccc2c(c1)c(=O)[nH][nH]c2=O ZINC001173327871 906375963 /nfs/dbraw/zinc/37/59/63/906375963.db2.gz JSTFXCAYQGJJOX-UHFFFAOYSA-N 1 0 397.523 3.710 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)CC1 ZINC001173335042 906377561 /nfs/dbraw/zinc/37/75/61/906377561.db2.gz CZKGEQGKVBJOIB-RRIAHRGQSA-N 1 0 383.536 3.942 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)CC1 ZINC001173335223 906377980 /nfs/dbraw/zinc/37/79/80/906377980.db2.gz FYDQZIYDUGAFCB-XMJKJUTBSA-N 1 0 383.536 3.942 20 30 GHEDRO C[C@H]1C[N@@H+](C2CCC(CC#N)CC2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001173334982 906378425 /nfs/dbraw/zinc/37/84/25/906378425.db2.gz BOJXXCYNYPGQDJ-IWNGNQFBSA-N 1 0 396.535 3.752 20 30 GHEDRO COC(=O)c1ccc(N2CC[NH+](C3CCC(CC#N)CC3)CC2)c(Cl)c1 ZINC001173336828 906380101 /nfs/dbraw/zinc/38/01/01/906380101.db2.gz NNFGUSNAJSNLQS-UHFFFAOYSA-N 1 0 375.900 3.721 20 30 GHEDRO C=CCOC1CCC([NH2+][C@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001173314178 906387404 /nfs/dbraw/zinc/38/74/04/906387404.db2.gz LGFMVRJRXPQFNT-PJEKJXDBSA-N 1 0 394.556 3.648 20 30 GHEDRO C=CCOC1CCC([N@H+]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001173320323 906390550 /nfs/dbraw/zinc/39/05/50/906390550.db2.gz GFRJZTCDMMCSDP-UHFFFAOYSA-N 1 0 394.556 3.602 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)CC1 ZINC001173319997 906391138 /nfs/dbraw/zinc/39/11/38/906391138.db2.gz DHJYHZHDZNGJFI-AFMYVXGZSA-N 1 0 392.494 3.528 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC001173420885 906447688 /nfs/dbraw/zinc/44/76/88/906447688.db2.gz IJTPEJXMGLMHBF-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC001173425598 906461679 /nfs/dbraw/zinc/46/16/79/906461679.db2.gz ZOXKZHNYJMMXLR-BTYIYWSLSA-N 1 0 397.906 3.528 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC001173429569 906466550 /nfs/dbraw/zinc/46/65/50/906466550.db2.gz ZONPKONAGITALV-SFTDATJTSA-N 1 0 379.891 3.962 20 30 GHEDRO C=C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1)c1ccccc1 ZINC001173541730 906517285 /nfs/dbraw/zinc/51/72/85/906517285.db2.gz IAQDQUJHQYRMLV-JBYIUTFZSA-N 1 0 388.508 3.835 20 30 GHEDRO CCN(CCCC[NH2+]C1CCC(C)(C#N)CC1)c1ccc2c(c1)c(=O)[nH][nH]c2=O ZINC001173584629 906543445 /nfs/dbraw/zinc/54/34/45/906543445.db2.gz DTMPZMSPFSXWQG-UHFFFAOYSA-N 1 0 397.523 3.710 20 30 GHEDRO COCC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CCC(C)(C#N)CC1 ZINC001173600312 906552913 /nfs/dbraw/zinc/55/29/13/906552913.db2.gz ZGTPNQMQWHXROW-UHFFFAOYSA-N 1 0 379.545 3.807 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000191091826 906597884 /nfs/dbraw/zinc/59/78/84/906597884.db2.gz XAIYGHDUMYGXQM-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO C=CCN1CCC[C@@H]([NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1=O ZINC001173701577 906652004 /nfs/dbraw/zinc/65/20/04/906652004.db2.gz BLKAYEICRDJTGY-LADGPHEKSA-N 1 0 390.527 3.890 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000180011729 906659313 /nfs/dbraw/zinc/65/93/13/906659313.db2.gz DKQXMLJHZDRPEY-IAGOWNOFSA-N 1 0 393.491 3.720 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000180099635 906689366 /nfs/dbraw/zinc/68/93/66/906689366.db2.gz HLPQWIYJEGHUGI-WMZOPIPTSA-N 1 0 382.464 3.919 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000180099653 906690232 /nfs/dbraw/zinc/69/02/32/906690232.db2.gz HLPQWIYJEGHUGI-AEFFLSMTSA-N 1 0 382.464 3.919 20 30 GHEDRO Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1N1CCOCC1 ZINC000180426298 906768471 /nfs/dbraw/zinc/76/84/71/906768471.db2.gz ZCVIFWNDFDQTOF-UHFFFAOYSA-N 1 0 390.531 3.780 20 30 GHEDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180550984 906790894 /nfs/dbraw/zinc/79/08/94/906790894.db2.gz NDRHYTUTHWVCPK-MRXNPFEDSA-N 1 0 385.895 3.769 20 30 GHEDRO N#CCCn1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccccc2)n1 ZINC000180781077 906844971 /nfs/dbraw/zinc/84/49/71/906844971.db2.gz MXNFLVRUMIMJKI-NFBKMPQASA-N 1 0 389.547 3.912 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c(C#N)c1C ZINC000180850290 906859463 /nfs/dbraw/zinc/85/94/63/906859463.db2.gz YGWGHMFFXBSPSB-CABCVRRESA-N 1 0 377.448 3.632 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1C#N ZINC000191308129 906861918 /nfs/dbraw/zinc/86/19/18/906861918.db2.gz ULZXSXDPZYBGRM-INIZCTEOSA-N 1 0 381.867 3.980 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OCC#N)cc1 ZINC000181571921 907029771 /nfs/dbraw/zinc/02/97/71/907029771.db2.gz YNMGYSMDCVNQGG-KKSFZXQISA-N 1 0 379.460 3.557 20 30 GHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181996022 907111297 /nfs/dbraw/zinc/11/12/97/907111297.db2.gz KTYHUEXABMMLDB-SFHVURJKSA-N 1 0 375.472 3.908 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000366052081 921295948 /nfs/dbraw/zinc/29/59/48/921295948.db2.gz YYPCECWMWYFIDA-QGZVFWFLSA-N 1 0 385.508 3.953 20 30 GHEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC001174892070 907272880 /nfs/dbraw/zinc/27/28/80/907272880.db2.gz ZFIREGUHEBOSPE-GOSISDBHSA-N 1 0 392.503 3.811 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000185694632 907814791 /nfs/dbraw/zinc/81/47/91/907814791.db2.gz BTVZJFSQWGUVEY-UHFFFAOYSA-N 1 0 386.446 3.769 20 30 GHEDRO COCC#CC[N@@H+]1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001175975696 907847756 /nfs/dbraw/zinc/84/77/56/907847756.db2.gz YYFSLCMWISCUJJ-ICSRJNTNSA-N 1 0 378.557 3.822 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1cccc(CO)c1 ZINC000186972107 908012878 /nfs/dbraw/zinc/01/28/78/908012878.db2.gz UCKRXTXMXIIXPI-UHFFFAOYSA-O 1 0 397.973 3.898 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000188522341 908220844 /nfs/dbraw/zinc/22/08/44/908220844.db2.gz VDDYXUXBIIGKLI-NRFANRHFSA-N 1 0 377.504 3.523 20 30 GHEDRO O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CCC(C#Cc2ccccc2)CC1 ZINC001177210465 908452662 /nfs/dbraw/zinc/45/26/62/908452662.db2.gz JNGOPGKPGSZZRR-UHFFFAOYSA-N 1 0 387.527 3.584 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000190813419 908531583 /nfs/dbraw/zinc/53/15/83/908531583.db2.gz SLDDGWSIJDUVMX-UHFFFAOYSA-N 1 0 388.256 3.889 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001177810678 908765837 /nfs/dbraw/zinc/76/58/37/908765837.db2.gz ODUSPSMUKPPWAC-FQEVSTJZSA-N 1 0 384.907 3.812 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000192745517 908820199 /nfs/dbraw/zinc/82/01/99/908820199.db2.gz ZROZNHUIZRWDNN-SYNHAJSKSA-N 1 0 381.476 3.853 20 30 GHEDRO CNC(=O)CC1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193061398 908848559 /nfs/dbraw/zinc/84/85/59/908848559.db2.gz HIBJPQZSCUBLHF-UHFFFAOYSA-N 1 0 375.516 3.734 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000083630597 909041681 /nfs/dbraw/zinc/04/16/81/909041681.db2.gz LRAWGHWWELOKTD-HXUWFJFHSA-N 1 0 375.509 3.679 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NCc3cc(C#N)ccc3N(C)C)c2)CC1 ZINC001178412238 909047463 /nfs/dbraw/zinc/04/74/63/909047463.db2.gz IMXVDEYZVYJCDK-UHFFFAOYSA-N 1 0 377.536 3.767 20 30 GHEDRO C#CCCC1(CCNC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)N=N1 ZINC001178594577 909117288 /nfs/dbraw/zinc/11/72/88/909117288.db2.gz UDMXAOCUXYXPSG-UHFFFAOYSA-N 1 0 386.499 3.790 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCc2cc(C#N)ccc21)CC(F)(F)F ZINC001178620759 909153059 /nfs/dbraw/zinc/15/30/59/909153059.db2.gz UTWSPMPVULYGAY-ZBFHGGJFSA-N 1 0 383.414 3.981 20 30 GHEDRO C#CCN(C(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001178740165 909210757 /nfs/dbraw/zinc/21/07/57/909210757.db2.gz YXBHXYZOVGYOST-ATVHPVEESA-N 1 0 386.364 3.711 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C)cc3Br)CC2)C1=O ZINC001276025391 921477078 /nfs/dbraw/zinc/47/70/78/921477078.db2.gz NIARFUCKGBFHIQ-HXUWFJFHSA-N 1 0 389.337 3.595 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000780002944 909263536 /nfs/dbraw/zinc/26/35/36/909263536.db2.gz KUPUTMVIZKQYBC-HSZRJFAPSA-N 1 0 388.515 3.834 20 30 GHEDRO C#CCN1c2ccccc2[C@]2(CCN(Cc3sc(Cl)nc3Cl)C2)C1=O ZINC001276028232 921493279 /nfs/dbraw/zinc/49/32/79/921493279.db2.gz BXDUMWNKIZIHKZ-GOSISDBHSA-N 1 0 392.311 3.573 20 30 GHEDRO Cc1cc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)ccc1C#N ZINC001179433047 909522040 /nfs/dbraw/zinc/52/20/40/909522040.db2.gz MHFFWYYZAHKKIJ-SFHVURJKSA-N 1 0 384.277 3.672 20 30 GHEDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)CC2)cs1 ZINC000267722888 909604088 /nfs/dbraw/zinc/60/40/88/909604088.db2.gz MAOOVDJOZYLOPO-SJORKVTESA-N 1 0 384.549 3.991 20 30 GHEDRO CN(C)C(=O)Sc1ccc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000267799304 909649055 /nfs/dbraw/zinc/64/90/55/909649055.db2.gz PUEHBZVNSNIMOC-PXLXIMEGSA-N 1 0 399.516 3.848 20 30 GHEDRO C[C@H](C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1)[NH+]1CCCC1 ZINC001180578903 910224735 /nfs/dbraw/zinc/22/47/35/910224735.db2.gz LGHSEWWFTYOHMK-NFBKMPQASA-N 1 0 387.527 3.829 20 30 GHEDRO Cc1cc(N2CCC[C@@H]([NH2+]C3CCC(C#N)CC3)C2=O)ccc1Br ZINC001180622765 910251833 /nfs/dbraw/zinc/25/18/33/910251833.db2.gz JXLFCXAPEXGYJK-JTTJXQCZSA-N 1 0 390.325 3.925 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000269629231 910323900 /nfs/dbraw/zinc/32/39/00/910323900.db2.gz HCDHQZUFHGLQLP-UHFFFAOYSA-N 1 0 393.497 3.547 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246489756 910327942 /nfs/dbraw/zinc/32/79/42/910327942.db2.gz HAMJUDLFHLOUQC-WOJBJXKFSA-N 1 0 384.451 3.673 20 30 GHEDRO C=CCOc1c(Cl)cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000639405618 910411220 /nfs/dbraw/zinc/41/12/20/910411220.db2.gz CZRVUJGLUCGCFE-KRWDZBQOSA-N 1 0 383.839 3.760 20 30 GHEDRO N#CCc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000270350783 910531242 /nfs/dbraw/zinc/53/12/42/910531242.db2.gz HQSUOPLGZOGNKE-UHFFFAOYSA-N 1 0 391.515 3.554 20 30 GHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000270369372 910537504 /nfs/dbraw/zinc/53/75/04/910537504.db2.gz TVZVMKBJLFNQJW-LJQANCHMSA-N 1 0 398.470 3.931 20 30 GHEDRO CCCCCCC[C@@H](C)C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001181123149 910556757 /nfs/dbraw/zinc/55/67/57/910556757.db2.gz RHMPHCBQNQPFDK-GOSISDBHSA-N 1 0 398.555 3.696 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000299689870 921587699 /nfs/dbraw/zinc/58/76/99/921587699.db2.gz YOFACOLWWLAOTA-UHFFFAOYSA-N 1 0 388.899 3.622 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)NC2=CC(=O)CCC2)C1 ZINC001181346198 910739969 /nfs/dbraw/zinc/73/99/69/910739969.db2.gz MWRMUPUMELIICX-ZWKOTPCHSA-N 1 0 376.447 3.532 20 30 GHEDRO COC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000271691776 911016258 /nfs/dbraw/zinc/01/62/58/911016258.db2.gz FKDOHTHULLQOCY-CQSZACIVSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccc(CN(C(=O)Cc2ccc3cc[nH]c3c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001181809922 911030985 /nfs/dbraw/zinc/03/09/85/911030985.db2.gz ANHPSGKSBKKUGE-HZCBDIJESA-N 1 0 386.499 3.881 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCc3cn4c(n3)SCC4)c2)c1 ZINC000274281116 911289934 /nfs/dbraw/zinc/28/99/34/911289934.db2.gz VEVYNNDOLYZMCJ-UHFFFAOYSA-N 1 0 390.512 3.772 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000366492707 921650207 /nfs/dbraw/zinc/65/02/07/921650207.db2.gz VMFRDSDSXBYCJV-JXFKEZNVSA-N 1 0 375.538 3.768 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1 ZINC001182245558 911329871 /nfs/dbraw/zinc/32/98/71/911329871.db2.gz QFYOAADUCMVEQF-GOTSBHOMSA-N 1 0 377.532 3.626 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000091935322 911347113 /nfs/dbraw/zinc/34/71/13/911347113.db2.gz UEAYOILOABMIAW-UHFFFAOYSA-N 1 0 386.540 3.868 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(OCC#N)cc3)CCN2C2CC2)c1 ZINC000801958613 921685468 /nfs/dbraw/zinc/68/54/68/921685468.db2.gz KURSOOXPJLSNPY-DHIUTWEWSA-N 1 0 377.488 3.665 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(F)c(F)c1)C(=S)NC1(C)CC1 ZINC000284003934 911718511 /nfs/dbraw/zinc/71/85/11/911718511.db2.gz HLBFCKGWWSQLLE-UHFFFAOYSA-O 1 0 375.464 3.896 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]CCCOc3ccc(C#N)cc3)CCN2C2CC2)c1 ZINC000801959472 921688227 /nfs/dbraw/zinc/68/82/27/921688227.db2.gz QYJKQEBJESNRIK-ZEQRLZLVSA-N 1 0 391.515 3.903 20 30 GHEDRO N#CC1(NC(=O)C[C@H]2CCc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001182597719 911867400 /nfs/dbraw/zinc/86/74/00/911867400.db2.gz YHKXGZUKPCCVJM-HXUWFJFHSA-N 1 0 391.490 3.920 20 30 GHEDRO COc1cc(OC)cc(C2(F)CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000801966208 921702008 /nfs/dbraw/zinc/70/20/08/921702008.db2.gz LVTJLDHVIZLPPI-OAQYLSRUSA-N 1 0 384.451 3.570 20 30 GHEDRO C[C@@H](C(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC001182792926 912026020 /nfs/dbraw/zinc/02/60/20/912026020.db2.gz IIAAJHPFAFVKMG-QGZVFWFLSA-N 1 0 379.479 3.924 20 30 GHEDRO C=C(C)CN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000642525647 912134483 /nfs/dbraw/zinc/13/44/83/912134483.db2.gz YUSCSUBAUDOYGR-UHFFFAOYSA-N 1 0 397.485 3.638 20 30 GHEDRO CC[NH+](CC)CCC[C@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285132637 912179446 /nfs/dbraw/zinc/17/94/46/912179446.db2.gz QFXHQDDECRONAA-KRWDZBQOSA-N 1 0 388.531 3.540 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCc2nnc3ccccn32)cc1 ZINC000303788603 915128694 /nfs/dbraw/zinc/12/86/94/915128694.db2.gz UISSMNJMDWLNDC-UHFFFAOYSA-N 1 0 384.487 3.647 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1C#N ZINC000802010059 921751930 /nfs/dbraw/zinc/75/19/30/921751930.db2.gz ZQTJYZOWHZTGGL-JOCHJYFZSA-N 1 0 385.508 3.790 20 30 GHEDRO O=S(=O)(CCC[NH+]=C(Nc1ccccc1)N1CCCCC1)c1ccccc1 ZINC000303866032 915224484 /nfs/dbraw/zinc/22/44/84/915224484.db2.gz CDWTYRIJKAMLRA-UHFFFAOYSA-N 1 0 385.533 3.804 20 30 GHEDRO CCOc1ccc(Oc2cc(CNC(=[NH2+])NCCc3cccs3)ccn2)cc1 ZINC000303867721 915225855 /nfs/dbraw/zinc/22/58/55/915225855.db2.gz AEFBYGCLFFUWLV-UHFFFAOYSA-N 1 0 396.516 3.981 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1 ZINC000303874314 915233941 /nfs/dbraw/zinc/23/39/41/915233941.db2.gz CZPIWWUIIUPJQD-UHFFFAOYSA-N 1 0 378.520 3.861 20 30 GHEDRO [NH2+]=C(NCc1cc2c(c(Br)c1)OCO2)Nc1ccc2c(c1)CCC2 ZINC000303880551 915294727 /nfs/dbraw/zinc/29/47/27/915294727.db2.gz KHJCQLFHCOSROT-UHFFFAOYSA-N 1 0 388.265 3.593 20 30 GHEDRO C[C@@H](NC(=[NH2+])N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000303900241 915303869 /nfs/dbraw/zinc/30/38/69/915303869.db2.gz WRFGJFNNMGPEEY-KOLCDFICSA-N 1 0 383.245 3.595 20 30 GHEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)c1ccsc1 ZINC000303906764 915306512 /nfs/dbraw/zinc/30/65/12/915306512.db2.gz WHPPYBACVMVTNI-KRWDZBQOSA-N 1 0 376.526 3.575 20 30 GHEDRO C=C(C)C[N@H+](CCOc1ccc2c(C)cc(=O)oc2c1)Cc1ccc(CO)o1 ZINC000796384530 915363126 /nfs/dbraw/zinc/36/31/26/915363126.db2.gz LSFQZZNBQNGFCP-UHFFFAOYSA-N 1 0 383.444 3.644 20 30 GHEDRO [NH2+]=C(NCc1ccnc(OCc2ccccc2)c1)N[C@H]1CCOc2ccccc21 ZINC000304473676 915516380 /nfs/dbraw/zinc/51/63/80/915516380.db2.gz GESKZMZYCQEYMX-FQEVSTJZSA-N 1 0 388.471 3.589 20 30 GHEDRO [NH2+]=C(NCCC(=O)NCc1ccccc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304481443 915523052 /nfs/dbraw/zinc/52/30/52/915523052.db2.gz ILUFTGUAUCLGQZ-UHFFFAOYSA-N 1 0 388.471 3.912 20 30 GHEDRO O=C(c1ccccc1OC(F)F)C(C(=S)NC1CCC1)[n+]1ccccc1 ZINC000292420600 915668633 /nfs/dbraw/zinc/66/86/33/915668633.db2.gz ZVRVMHOSYPPZBC-UHFFFAOYSA-O 1 0 377.436 3.656 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCCO[C@H]2CCCc3ccccc32)c1 ZINC000304746570 915669222 /nfs/dbraw/zinc/66/92/22/915669222.db2.gz FWZMEWWCVYPMQU-FQEVSTJZSA-N 1 0 383.492 3.915 20 30 GHEDRO [NH2+]=C(NCc1coc(-c2ccccc2)n1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304752524 915671019 /nfs/dbraw/zinc/67/10/19/915671019.db2.gz KHHHNLOTLOVPAO-UHFFFAOYSA-N 1 0 390.365 3.845 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC000304759397 915674392 /nfs/dbraw/zinc/67/43/92/915674392.db2.gz RDARCLYPYWJQIQ-QGZVFWFLSA-N 1 0 378.517 3.750 20 30 GHEDRO [NH2+]=C(NCc1coc(-c2ccccc2)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000304762797 915700157 /nfs/dbraw/zinc/70/01/57/915700157.db2.gz VZDIAUYSEDXXCC-UHFFFAOYSA-N 1 0 395.894 3.632 20 30 GHEDRO [NH2+]=C(NCCc1csc(-c2ccccc2)n1)Nc1ccc2c(c1)OCCCO2 ZINC000304831085 915722171 /nfs/dbraw/zinc/72/21/71/915722171.db2.gz KMGZHCPSIZGKOM-UHFFFAOYSA-N 1 0 394.500 3.941 20 30 GHEDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000292557918 915740877 /nfs/dbraw/zinc/74/08/77/915740877.db2.gz ZBCCKEZFORROIX-UHFFFAOYSA-N 1 0 396.560 3.957 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(Cl)c3)CC2)C1=O ZINC001275671239 915835255 /nfs/dbraw/zinc/83/52/55/915835255.db2.gz ASTSILPQLVMVDT-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO Cc1nc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)c(Cl)cc1C#N ZINC000292774876 915839060 /nfs/dbraw/zinc/83/90/60/915839060.db2.gz XBHDEYOSZOIMPN-UHFFFAOYSA-N 1 0 376.917 3.706 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001188644146 916072873 /nfs/dbraw/zinc/07/28/73/916072873.db2.gz CMGLHHWXAGGQML-SIKLNZKXSA-N 1 0 398.572 3.994 20 30 GHEDRO [NH2+]=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1ccccc1OC(F)(F)F ZINC000305674646 916209542 /nfs/dbraw/zinc/20/95/42/916209542.db2.gz KQBLROUAINJVOW-ZDUSSCGKSA-N 1 0 391.752 3.838 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc2cc(Br)ccc2[nH]1 ZINC001275715648 916304974 /nfs/dbraw/zinc/30/49/74/916304974.db2.gz YGNCBDWMPKHFLX-QZTJIDSGSA-N 1 0 388.309 3.682 20 30 GHEDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 ZINC000293746651 916359764 /nfs/dbraw/zinc/35/97/64/916359764.db2.gz NVWGLKSKLWHCQS-UHFFFAOYSA-N 1 0 392.381 3.555 20 30 GHEDRO CCc1nn(C)c(OC)c1CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000305771241 916368903 /nfs/dbraw/zinc/36/89/03/916368903.db2.gz YUPAVNCYUWCXIA-UHFFFAOYSA-N 1 0 379.464 3.710 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001189084061 916395701 /nfs/dbraw/zinc/39/57/01/916395701.db2.gz FAPYKVXXSRBBOR-NHCUHLMSSA-N 1 0 389.499 3.551 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001189084662 916396425 /nfs/dbraw/zinc/39/64/25/916396425.db2.gz XUFJWFMRTMKQKV-TWRVUUBYSA-N 1 0 391.515 3.602 20 30 GHEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000305813612 916451889 /nfs/dbraw/zinc/45/18/89/916451889.db2.gz KVKDBGFBSCZDDI-HNNXBMFYSA-N 1 0 375.492 3.927 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000775337592 917035541 /nfs/dbraw/zinc/03/55/41/917035541.db2.gz JZXIIPZRZXAPMP-FZKQIMNGSA-N 1 0 380.366 3.872 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000295024015 917099361 /nfs/dbraw/zinc/09/93/61/917099361.db2.gz KYGITBGMCDXTGW-AAEUAGOBSA-N 1 0 387.358 3.716 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC2(CC1)C(F)(F)C2(F)F)C(C)C ZINC000650667239 917219409 /nfs/dbraw/zinc/21/94/09/917219409.db2.gz LIZBITZDCMMUNA-OAHLLOKOSA-N 1 0 391.453 3.761 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC1 ZINC000650851706 917301787 /nfs/dbraw/zinc/30/17/87/917301787.db2.gz BCWZIFBWCQMOGZ-FKBYEOEOSA-N 1 0 383.536 3.731 20 30 GHEDRO CC(C)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1 ZINC001190366434 917304832 /nfs/dbraw/zinc/30/48/32/917304832.db2.gz QKGWIJOTBNGGAI-UHFFFAOYSA-N 1 0 380.875 3.850 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)c1ccccc1 ZINC000775397673 917412189 /nfs/dbraw/zinc/41/21/89/917412189.db2.gz ABKHMUFDZQAZIE-QFIPXVFZSA-N 1 0 376.500 3.978 20 30 GHEDRO C#CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000775405426 917499711 /nfs/dbraw/zinc/49/97/11/917499711.db2.gz WIVMPULYYGIEBV-GOSISDBHSA-N 1 0 392.318 3.577 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000775404610 917515962 /nfs/dbraw/zinc/51/59/62/917515962.db2.gz PULWYJQAWXYKDK-VXKWHMMOSA-N 1 0 392.499 3.722 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295822056 917524175 /nfs/dbraw/zinc/52/41/75/917524175.db2.gz AIFBIQMBMPUMKW-RTWAWAEBSA-N 1 0 395.551 3.664 20 30 GHEDRO COc1ccc(C2([NH2+]Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)cc1 ZINC000775411749 917562283 /nfs/dbraw/zinc/56/22/83/917562283.db2.gz IFDNATQANHENFK-SFHVURJKSA-N 1 0 384.439 3.511 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccc(C(C)(C)C#N)c1)[C@@H]2C ZINC001190928273 917643906 /nfs/dbraw/zinc/64/39/06/917643906.db2.gz NAFNIHOANIOVBS-QGZVFWFLSA-N 1 0 393.535 3.741 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)c(-c2ccccc2)n1 ZINC000363152400 917841798 /nfs/dbraw/zinc/84/17/98/917841798.db2.gz VSULYAJEUBPVDM-UHFFFAOYSA-N 1 0 396.498 3.998 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1Cl ZINC001191306021 917908747 /nfs/dbraw/zinc/90/87/47/917908747.db2.gz MAWBVAMJEBZPTG-OAQYLSRUSA-N 1 0 397.906 3.912 20 30 GHEDRO COCCOc1ccccc1N1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC001191910653 918268320 /nfs/dbraw/zinc/26/83/20/918268320.db2.gz POEGTCYWMRYFDT-UHFFFAOYSA-N 1 0 379.504 3.523 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000653663832 918397996 /nfs/dbraw/zinc/39/79/96/918397996.db2.gz OYMPEPJPBWNKBJ-MOPGFXCFSA-N 1 0 377.895 3.572 20 30 GHEDRO COc1ccccc1NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000015245042 919369481 /nfs/dbraw/zinc/36/94/81/919369481.db2.gz FFUYFTWDWVOUAS-UHFFFAOYSA-O 1 0 393.488 3.526 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C#N)nc1)c1ccc(C(F)(F)F)cc1 ZINC000115346073 919448321 /nfs/dbraw/zinc/44/83/21/919448321.db2.gz AAKKNFDKJXRWKP-GOSISDBHSA-N 1 0 390.409 3.785 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115596245 919459565 /nfs/dbraw/zinc/45/95/65/919459565.db2.gz GDBPCDHXCMJBTP-DEOSSOPVSA-N 1 0 398.510 3.603 20 30 GHEDRO CC(C)(C)c1ccc(N2CCC([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000115598005 919459593 /nfs/dbraw/zinc/45/95/93/919459593.db2.gz LKTQUIOFMHTRGF-QFIPXVFZSA-N 1 0 390.531 3.641 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000283374135 919619133 /nfs/dbraw/zinc/61/91/33/919619133.db2.gz URFFHEAFLWSYKT-INIZCTEOSA-N 1 0 388.947 3.738 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(C)ccc3Br)CC2)C1=O ZINC001275926705 919752474 /nfs/dbraw/zinc/75/24/74/919752474.db2.gz GRERIUAIVJYNFP-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000297939824 919996505 /nfs/dbraw/zinc/99/65/05/919996505.db2.gz AFUWZUXDYZRVDG-QUCCMNQESA-N 1 0 387.842 3.799 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(OCC)c(OCC)cc1Br ZINC000900350352 920237727 /nfs/dbraw/zinc/23/77/27/920237727.db2.gz WOVWYUAATXBOJB-UHFFFAOYSA-N 1 0 385.302 3.693 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1OCCCC#N ZINC000365133200 920415854 /nfs/dbraw/zinc/41/58/54/920415854.db2.gz LJWJFKFTRMUBTD-IBGZPJMESA-N 1 0 382.508 3.802 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000900597947 920439844 /nfs/dbraw/zinc/43/98/44/920439844.db2.gz CUMJERPXKBBRJO-UHFFFAOYSA-N 1 0 390.325 3.630 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000800790645 920464402 /nfs/dbraw/zinc/46/44/02/920464402.db2.gz PTDVBFNOUFEONT-GPXZHFRMSA-N 1 0 393.531 3.891 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900635023 920474955 /nfs/dbraw/zinc/47/49/55/920474955.db2.gz DGYNQHHVMNWPGR-AOCRQIFASA-N 1 0 387.549 3.910 20 30 GHEDRO N#C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000900641944 920482560 /nfs/dbraw/zinc/48/25/60/920482560.db2.gz BLYZSRJHEJWPEB-LEHRNKBSSA-N 1 0 396.318 3.565 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000900693009 920522825 /nfs/dbraw/zinc/52/28/25/920522825.db2.gz WYNWNOIXGCYZEW-UHFFFAOYSA-N 1 0 391.515 3.586 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000298752157 920887089 /nfs/dbraw/zinc/88/70/89/920887089.db2.gz MTSIDOMSETWARQ-UHFFFAOYSA-N 1 0 397.425 3.760 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367042394 921889407 /nfs/dbraw/zinc/88/94/07/921889407.db2.gz GUDCVPAWRAWGHX-ZCFHBRKKSA-N 1 0 391.556 3.711 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367462471 922119237 /nfs/dbraw/zinc/11/92/37/922119237.db2.gz FWMIADIEUQTDMD-IBGZPJMESA-N 1 0 397.441 3.525 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1)c1cc(C#N)ccn1 ZINC000903399867 922991479 /nfs/dbraw/zinc/99/14/79/922991479.db2.gz PRKMKAXZDLJMAW-YCMKEVRSSA-N 1 0 375.394 3.629 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000748506852 923698062 /nfs/dbraw/zinc/69/80/62/923698062.db2.gz GHIZUHXJGSCQDZ-JOCHJYFZSA-N 1 0 391.519 3.995 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000370296197 924018139 /nfs/dbraw/zinc/01/81/39/924018139.db2.gz YSDJZCUDBYVVBS-GOSISDBHSA-N 1 0 389.421 3.561 20 30 GHEDRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CCC(CC#N)CC3)ccc2c1 ZINC000543806966 924362965 /nfs/dbraw/zinc/36/29/65/924362965.db2.gz GVJGIVYLGHDWTH-QGZVFWFLSA-N 1 0 379.504 3.821 20 30 GHEDRO C=CCOCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000679503989 925162623 /nfs/dbraw/zinc/16/26/23/925162623.db2.gz NNOSZOOMAOMPCE-AEFFLSMTSA-N 1 0 399.457 3.590 20 30 GHEDRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(C#N)cn3)CC1)CCS2 ZINC000372768892 925693427 /nfs/dbraw/zinc/69/34/27/925693427.db2.gz TXXZRKLSRZBPCA-LJQANCHMSA-N 1 0 380.517 3.757 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(Br)c(Br)c1)C1CCOCC1 ZINC000827564426 925821922 /nfs/dbraw/zinc/82/19/22/925821922.db2.gz BMOXMQIZZOFKJQ-OAHLLOKOSA-N 1 0 387.115 3.730 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000411171284 926160729 /nfs/dbraw/zinc/16/07/29/926160729.db2.gz ZINZPCVQLITIBE-UWJYYQICSA-N 1 0 377.488 3.799 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000411184788 926173088 /nfs/dbraw/zinc/17/30/88/926173088.db2.gz GSZSNXGLQKEWDR-HNNXBMFYSA-N 1 0 396.447 3.887 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133522794 926302966 /nfs/dbraw/zinc/30/29/66/926302966.db2.gz JBAUTPJNSZCZRL-LEWJYISDSA-N 1 0 385.471 3.608 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C1CCOCC1 ZINC000411395209 926351881 /nfs/dbraw/zinc/35/18/81/926351881.db2.gz VJEUKZKCINKKPZ-HNNXBMFYSA-N 1 0 389.565 3.963 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000411470311 926429400 /nfs/dbraw/zinc/42/94/00/926429400.db2.gz OEPJYKQACDFBMO-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO CC(C)CC[N@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C1CCCC1 ZINC000725772895 926432364 /nfs/dbraw/zinc/43/23/64/926432364.db2.gz XOOXIXZMJZYUCY-JOCHJYFZSA-N 1 0 382.508 3.573 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2ccccn21 ZINC000411496509 926457622 /nfs/dbraw/zinc/45/76/22/926457622.db2.gz XXMLEJANDLNEFN-IBGZPJMESA-N 1 0 396.882 3.570 20 30 GHEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411566706 926513887 /nfs/dbraw/zinc/51/38/87/926513887.db2.gz ZYTYMSQVXGYHCN-IRXDYDNUSA-N 1 0 375.538 3.620 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1)C(C)C ZINC000726054369 926541062 /nfs/dbraw/zinc/54/10/62/926541062.db2.gz NHWQPMXTBXDFRB-KRWDZBQOSA-N 1 0 393.487 3.973 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccncc1F ZINC000411695181 926656562 /nfs/dbraw/zinc/65/65/62/926656562.db2.gz OORYNUKJOCINLV-OLZOCXBDSA-N 1 0 386.496 3.958 20 30 GHEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000374216207 926906021 /nfs/dbraw/zinc/90/60/21/926906021.db2.gz GDFAHAKAZVLZFH-FSSWDIPSSA-N 1 0 388.515 3.679 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000411967233 926945777 /nfs/dbraw/zinc/94/57/77/926945777.db2.gz HUWZKUJBBKCTMG-RBZFPXEDSA-N 1 0 375.538 3.620 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)CCCCC1 ZINC000412014957 927002823 /nfs/dbraw/zinc/00/28/23/927002823.db2.gz 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392.459 3.527 20 30 GHEDRO N#C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000930146026 933858634 /nfs/dbraw/zinc/85/86/34/933858634.db2.gz OYZDNRCRKNHYRI-GOSISDBHSA-N 1 0 397.523 3.659 20 30 GHEDRO CC[C@@H]([NH2+]Cc1c(C)cc(C#N)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000930201711 933888921 /nfs/dbraw/zinc/88/89/21/933888921.db2.gz SMTBDXDTUBIBPU-OAQYLSRUSA-N 1 0 379.504 3.883 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)CC1 ZINC000561128387 933892560 /nfs/dbraw/zinc/89/25/60/933892560.db2.gz DCCBWWWAPXGINM-UHFFFAOYSA-N 1 0 394.544 3.606 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000561200102 933949733 /nfs/dbraw/zinc/94/97/33/933949733.db2.gz SGEBFGVWAZMIEH-WZONZLPQSA-N 1 0 387.483 3.905 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COC1CC[NH+](C)CC1 ZINC000930613207 934142129 /nfs/dbraw/zinc/14/21/29/934142129.db2.gz YFJPBIUXHAVASC-UHFFFAOYSA-N 1 0 379.460 3.708 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001120562302 934473981 /nfs/dbraw/zinc/47/39/81/934473981.db2.gz YIRGGSSLVNBTQP-QFBILLFUSA-N 1 0 379.495 3.771 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H]1C(F)(F)F ZINC000931614367 934644179 /nfs/dbraw/zinc/64/41/79/934644179.db2.gz ZBCAHKCXFYWWIA-QDIHITRGSA-N 1 0 389.462 3.951 20 30 GHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000562039944 934652278 /nfs/dbraw/zinc/65/22/78/934652278.db2.gz SIEUQXZSNPXAAC-KRWDZBQOSA-N 1 0 377.554 3.842 20 30 GHEDRO COc1ccc(OCc2nc(CNCc3ccc(C#N)c(OC)c3)cs2)cc1 ZINC000562081296 934679612 /nfs/dbraw/zinc/67/96/12/934679612.db2.gz LUZPNZCJVDHPRN-UHFFFAOYSA-N 1 0 395.484 3.901 20 30 GHEDRO C=CCn1c(CC(F)F)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001121529845 934686607 /nfs/dbraw/zinc/68/66/07/934686607.db2.gz CEBOBHNZQGOKRY-INIZCTEOSA-N 1 0 381.515 3.753 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001121628721 934719325 /nfs/dbraw/zinc/71/93/25/934719325.db2.gz IKQGIOWHOVELHD-VQTJNVASSA-N 1 0 385.556 3.549 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000562143467 934723756 /nfs/dbraw/zinc/72/37/56/934723756.db2.gz YQHSXHARDQLTML-FQEVSTJZSA-N 1 0 396.491 3.778 20 30 GHEDRO C=CCn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N1CCC[C@H]1CSC ZINC001121691251 934740274 /nfs/dbraw/zinc/74/02/74/934740274.db2.gz VODHTCSHYZNCBD-SLFFLAALSA-N 1 0 397.592 3.609 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932046557 934809782 /nfs/dbraw/zinc/80/97/82/934809782.db2.gz OQWBLYDMRJHXDZ-UHFFFAOYSA-N 1 0 389.499 3.645 20 30 GHEDRO N#CCc1ccnc(NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC000932164863 934838115 /nfs/dbraw/zinc/83/81/15/934838115.db2.gz UJAHKLSBUUFNEU-UHFFFAOYSA-N 1 0 389.503 3.767 20 30 GHEDRO C=C(C)Cn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1C(C#N)(CC)CC ZINC001122435560 934869317 /nfs/dbraw/zinc/86/93/17/934869317.db2.gz VXHZWKDDQBOSOI-UHFFFAOYSA-N 1 0 396.543 3.642 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001122536745 934892933 /nfs/dbraw/zinc/89/29/33/934892933.db2.gz LSSWHECKSRAXPS-IAGOWNOFSA-N 1 0 386.569 3.770 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 ZINC001122602805 934915978 /nfs/dbraw/zinc/91/59/78/934915978.db2.gz XKODTUSZLNLJBN-VQTJNVASSA-N 1 0 395.551 3.666 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cccc(-c3cncnc3)c1)CCO2 ZINC001137767254 935779170 /nfs/dbraw/zinc/77/91/70/935779170.db2.gz LVWCURICDATHMV-DHIUTWEWSA-N 1 0 379.504 3.717 20 30 GHEDRO N#CC(CC[N@H+]1CC[C@@H](CN2CCOC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000830125097 935902742 /nfs/dbraw/zinc/90/27/42/935902742.db2.gz VOPBZTIZVCBNDP-HXUWFJFHSA-N 1 0 389.499 3.660 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cccc(OC(C)=O)c2)CC1 ZINC001138044353 935948061 /nfs/dbraw/zinc/94/80/61/935948061.db2.gz TURJURYMKMWDNB-UHFFFAOYSA-N 1 0 380.444 3.536 20 30 GHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001573342152 947538043 /nfs/dbraw/zinc/53/80/43/947538043.db2.gz UZZAFOZTEJGEHN-HNNXBMFYSA-N 1 0 378.436 3.833 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1 ZINC000468659774 1015880496 /nfs/dbraw/zinc/88/04/96/1015880496.db2.gz KNYAHJRRXQDIOM-FYYLOGMGSA-N 1 0 383.536 3.986 20 30 GHEDRO C[N@H+](CC#Cc1ccccc1Cl)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470822923 1016901399 /nfs/dbraw/zinc/90/13/99/1016901399.db2.gz MSOUUMFBRGPQQB-IRXDYDNUSA-N 1 0 377.916 3.692 20 30 GHEDRO C[N@H+](CCCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC001221036104 1032246389 /nfs/dbraw/zinc/24/63/89/1032246389.db2.gz AAHZIMBDACEQCX-JOCHJYFZSA-N 1 0 376.504 3.757 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221210642 1032332935 /nfs/dbraw/zinc/33/29/35/1032332935.db2.gz NUAKMGATTDGZFV-FQEVSTJZSA-N 1 0 381.451 3.567 20 30 GHEDRO C=C(C)CN1C[C@]2(CC[N@H+](Cc3sc4scc(C)c4c3C)C2)OCC1=O ZINC001277200760 1032380478 /nfs/dbraw/zinc/38/04/78/1032380478.db2.gz KOHCBSXUHVMRDK-HXUWFJFHSA-N 1 0 390.574 3.959 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001227478817 1032435627 /nfs/dbraw/zinc/43/56/27/1032435627.db2.gz FDFQVBWTDUQAGG-ZQGJOIPISA-N 1 0 397.563 3.568 20 30 GHEDRO CSc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001155244764 1032469736 /nfs/dbraw/zinc/46/97/36/1032469736.db2.gz KYFHOFCTDMBVEM-HXUWFJFHSA-N 1 0 379.529 3.951 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cnc(C(F)(F)F)cc3Cl)C2)C1=O ZINC001277227947 1032498101 /nfs/dbraw/zinc/49/81/01/1032498101.db2.gz HDTJBEHEFCEUQC-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000560497728 1017644845 /nfs/dbraw/zinc/64/48/45/1017644845.db2.gz CPTFNSJHZFJGNS-SFHLNBCPSA-N 1 0 395.890 3.655 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278889 1032718362 /nfs/dbraw/zinc/71/83/62/1032718362.db2.gz MAPMRZIKDFRBER-UHFFFAOYSA-N 1 0 387.277 3.918 20 30 GHEDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561186784 1017803980 /nfs/dbraw/zinc/80/39/80/1017803980.db2.gz ZXVZNFMFUCDVQH-KUHUBIRLSA-N 1 0 384.430 3.583 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)cc1 ZINC001204299695 1032738870 /nfs/dbraw/zinc/73/88/70/1032738870.db2.gz DNOXMDRWTBFHNJ-NRFANRHFSA-N 1 0 398.547 3.635 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000562378293 1018132767 /nfs/dbraw/zinc/13/27/67/1018132767.db2.gz LPLJENSFTNYAIE-INIZCTEOSA-N 1 0 382.430 3.691 20 30 GHEDRO CCCCCCCCOc1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)cc1 ZINC001204312758 1032754376 /nfs/dbraw/zinc/75/43/76/1032754376.db2.gz VBVLNDPPKVZMLM-UHFFFAOYSA-N 1 0 388.552 3.907 20 30 GHEDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(CCC#N)cc2)[NH+](C)C)cc1 ZINC000932557832 1018455698 /nfs/dbraw/zinc/45/56/98/1018455698.db2.gz UFHMPHOJXWDUSN-OAQYLSRUSA-N 1 0 379.508 3.633 20 30 GHEDRO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562798558 1018654056 /nfs/dbraw/zinc/65/40/56/1018654056.db2.gz RQNVFABOCPWIOZ-FPOVZHCZSA-N 1 0 390.535 3.851 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H](c1ccccc1)N1CCOCC1 ZINC000562875153 1018738750 /nfs/dbraw/zinc/73/87/50/1018738750.db2.gz XQBOMNPVUBCZNB-NTUVXCKYSA-N 1 0 375.516 3.987 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](C[C@@H]3C[C@]34CCOC4)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932938688 1018767099 /nfs/dbraw/zinc/76/70/99/1018767099.db2.gz AYPOBBIBEUYXOO-ZDCRXTMVSA-N 1 0 379.291 3.516 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](CCC[C@H]3CCOC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932942710 1018772213 /nfs/dbraw/zinc/77/22/13/1018772213.db2.gz IHJDEWCCGORCJM-HBNTYKKESA-N 1 0 381.307 3.906 20 30 GHEDRO O=C1CCC(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000932945339 1018776800 /nfs/dbraw/zinc/77/68/00/1018776800.db2.gz VYZHFJXRZQOHFG-GHMZBOCLSA-N 1 0 379.291 3.849 20 30 GHEDRO CC1(C)OC[C@H](CC[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 ZINC000932945524 1018777954 /nfs/dbraw/zinc/77/79/54/1018777954.db2.gz YWTARCJOYSMDSA-GUBZILKMSA-N 1 0 397.306 3.631 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000563882352 1018975924 /nfs/dbraw/zinc/97/59/24/1018975924.db2.gz JEDJPBGZPWHSLW-XMSQKQJNSA-N 1 0 388.515 3.993 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001204370481 1032810499 /nfs/dbraw/zinc/81/04/99/1032810499.db2.gz ADDGEORQGXAHFZ-DHIUTWEWSA-N 1 0 377.488 3.541 20 30 GHEDRO C[NH+](C)CCN(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000565331188 1019179243 /nfs/dbraw/zinc/17/92/43/1019179243.db2.gz GBCYKXOKSKDFSV-UHFFFAOYSA-N 1 0 377.467 3.651 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001204371813 1032813071 /nfs/dbraw/zinc/81/30/71/1032813071.db2.gz ZDOGPSKSZJTOOW-QHCPKHFHSA-N 1 0 379.479 3.816 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccccc3C#N)CC2)c2ccc(C)cc21 ZINC001204370640 1032813204 /nfs/dbraw/zinc/81/32/04/1032813204.db2.gz GXRKFMOGWYEEKN-QFIPXVFZSA-N 1 0 388.515 3.774 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000572803473 1019804007 /nfs/dbraw/zinc/80/40/07/1019804007.db2.gz PNFQJWWANMYADE-UZLBHIALSA-N 1 0 378.524 3.779 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000573467080 1019830500 /nfs/dbraw/zinc/83/05/00/1019830500.db2.gz OIRCDWBVWRXXFB-OFNKIYASSA-N 1 0 391.490 3.753 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Br)cc1 ZINC000573466679 1019831300 /nfs/dbraw/zinc/83/13/00/1019831300.db2.gz ZRUSPBGLUNHPRF-CQSZACIVSA-N 1 0 398.304 3.777 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(CC#N)cc2)[NH+]2CCCC2)cc1 ZINC000576153590 1019986172 /nfs/dbraw/zinc/98/61/72/1019986172.db2.gz BSTKRZNWKVSQND-QFIPXVFZSA-N 1 0 376.504 3.697 20 30 GHEDRO CCC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(=O)N1CCc2sccc2C1 ZINC000576317052 1020005241 /nfs/dbraw/zinc/00/52/41/1020005241.db2.gz PGFPUVHIHBXTCZ-WOJBJXKFSA-N 1 0 379.529 3.950 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]c2c1cccc2Br ZINC001277282538 1032868628 /nfs/dbraw/zinc/86/86/28/1032868628.db2.gz MNQCUBPGHXTROK-IAGOWNOFSA-N 1 0 388.309 3.682 20 30 GHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601187222 1020303715 /nfs/dbraw/zinc/30/37/15/1020303715.db2.gz FIAHSYKOFMNPDO-OALUTQOASA-N 1 0 376.504 3.866 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000628328781 1020691371 /nfs/dbraw/zinc/69/13/71/1020691371.db2.gz VXXLPQFZBBCLSD-GOSISDBHSA-N 1 0 394.943 3.600 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192039486 1020841967 /nfs/dbraw/zinc/84/19/67/1020841967.db2.gz IDDFUHHRHLDZEW-QFBILLFUSA-N 1 0 390.270 3.923 20 30 GHEDRO Cc1c(F)cccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001204507517 1032937996 /nfs/dbraw/zinc/93/79/96/1032937996.db2.gz FFGKYJJFLFRTGP-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](c1cccs1)N1CCOCC1 ZINC000303723912 1021144305 /nfs/dbraw/zinc/14/43/05/1021144305.db2.gz ZIUUYVXMDXGKKH-GOSISDBHSA-N 1 0 386.565 3.673 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000303910233 1021148000 /nfs/dbraw/zinc/14/80/00/1021148000.db2.gz YSEATHMMHNVUBW-UHFFFAOYSA-N 1 0 390.528 3.848 20 30 GHEDRO [NH2+]=C(NCCCO[C@@H]1CCCc2ccccc21)N[C@@H]1CCOc2ccccc21 ZINC000304750056 1021153734 /nfs/dbraw/zinc/15/37/34/1021153734.db2.gz IBWLETPEQDJFBY-NHCUHLMSSA-N 1 0 379.504 3.899 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c[nH]c4cccc(O)c34)CC2)cc1 ZINC001140236410 1021212977 /nfs/dbraw/zinc/21/29/77/1021212977.db2.gz GDLIPPPPJXMFRE-UHFFFAOYSA-N 1 0 389.459 3.531 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2ccc(CC#N)c(C)n2)cc1 ZINC001156292858 1032962634 /nfs/dbraw/zinc/96/26/34/1032962634.db2.gz ARCQYIUIWVMTTL-NRFANRHFSA-N 1 0 378.520 3.956 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1Cl ZINC000801580054 1021416138 /nfs/dbraw/zinc/41/61/38/1021416138.db2.gz WVRREWDHIHBVGT-QFIPXVFZSA-N 1 0 397.906 3.566 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4c(O)cccc4Cl)C3)CC2=O)c1 ZINC001140344770 1021459419 /nfs/dbraw/zinc/45/94/19/1021459419.db2.gz MAQCZCBECVLIEK-NRFANRHFSA-N 1 0 381.863 3.546 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)s1)c1cccc(C#N)c1 ZINC000902777065 1021536255 /nfs/dbraw/zinc/53/62/55/1021536255.db2.gz ZZWYDZQGLBUZTK-GOSISDBHSA-N 1 0 391.562 3.891 20 30 GHEDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140439425 1021711693 /nfs/dbraw/zinc/71/16/93/1021711693.db2.gz DQNMCRNQRGNVKG-KRWDZBQOSA-N 1 0 397.475 3.824 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccc(Cl)cc4O)C3)CC2=O)c1 ZINC001140464757 1021757370 /nfs/dbraw/zinc/75/73/70/1021757370.db2.gz AQQKWKOVCIHJJW-OAQYLSRUSA-N 1 0 381.863 3.546 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835051201 1021817149 /nfs/dbraw/zinc/81/71/49/1021817149.db2.gz IAERZSZKNOLUGD-RDTXWAMCSA-N 1 0 393.553 3.507 20 30 GHEDRO N#Cc1ccc2[nH]c(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC001156462943 1033046735 /nfs/dbraw/zinc/04/67/35/1033046735.db2.gz WULDBWXQQSWFHB-UHFFFAOYSA-N 1 0 386.499 3.724 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3OC)C2)C1 ZINC001140725590 1022366783 /nfs/dbraw/zinc/36/67/83/1022366783.db2.gz DCSLCVGZYSTRRW-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3Cl)CC[C@@H]2C1 ZINC001140808227 1022583735 /nfs/dbraw/zinc/58/37/35/1022583735.db2.gz MSBFYRHDFUTRQE-WBVHZDCISA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)c1Cl ZINC001140812427 1022603657 /nfs/dbraw/zinc/60/36/57/1022603657.db2.gz YTKZZTRNCTWDPN-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO C=CCc1cc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c(O)c(OC)c1 ZINC000754738814 1022871196 /nfs/dbraw/zinc/87/11/96/1022871196.db2.gz GLQJLXOOGXTSQU-UHFFFAOYSA-N 1 0 386.467 3.599 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000754748651 1022877277 /nfs/dbraw/zinc/87/72/77/1022877277.db2.gz QKLNDLFFUWNQCD-CVEARBPZSA-N 1 0 390.524 3.864 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)c2cccc3ccccc32)c(-c2ccncc2)n1 ZINC001203084115 1023064636 /nfs/dbraw/zinc/06/46/36/1023064636.db2.gz XGUBJWSSOBCYTI-HSZRJFAPSA-N 1 0 397.482 3.835 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(F)ccc(N)c1F)CC2 ZINC001204847393 1033117885 /nfs/dbraw/zinc/11/78/85/1033117885.db2.gz ADCHMOAOCULZAE-UHFFFAOYSA-N 1 0 379.451 3.548 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000755978741 1023461885 /nfs/dbraw/zinc/46/18/85/1023461885.db2.gz DKXQYRKZVWLYKQ-PKTZIBPZSA-N 1 0 391.515 3.543 20 30 GHEDRO C#CCOc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000756122432 1023529064 /nfs/dbraw/zinc/52/90/64/1023529064.db2.gz QPPSHGALIDLCPV-UHFFFAOYSA-N 1 0 380.307 3.517 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccnc(-c4ccc(F)cc4)c3)CC2)nc1 ZINC001141118317 1023539171 /nfs/dbraw/zinc/53/91/71/1023539171.db2.gz TTXZYKUIFRZMCL-UHFFFAOYSA-N 1 0 387.462 3.867 20 30 GHEDRO C#CCN(C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C1CC[NH+](C)CC1 ZINC001156647110 1033153153 /nfs/dbraw/zinc/15/31/53/1033153153.db2.gz PTIYJNFLWFQTQO-UHFFFAOYSA-N 1 0 383.923 3.917 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc2c(cc1O)CCCC2 ZINC000756536667 1023703598 /nfs/dbraw/zinc/70/35/98/1023703598.db2.gz SJNAFAMRNZCZCI-INIZCTEOSA-N 1 0 376.504 3.857 20 30 GHEDRO C=C(C)[C@H](CC(=O)OC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1)OCC ZINC000756557916 1023712966 /nfs/dbraw/zinc/71/29/66/1023712966.db2.gz KVSZFFXRDVQJTC-CBQOVEMMSA-N 1 0 375.509 3.993 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccnc4ccc(OC)cc34)C2)C1 ZINC001141147287 1023968708 /nfs/dbraw/zinc/96/87/08/1023968708.db2.gz WYKDWESJBWFFRD-HSZRJFAPSA-N 1 0 395.503 3.854 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000830872327 1024205786 /nfs/dbraw/zinc/20/57/86/1024205786.db2.gz BREFFVUPVOMMAK-ICSRJNTNSA-N 1 0 398.466 3.767 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1C ZINC001138140507 1024214657 /nfs/dbraw/zinc/21/46/57/1024214657.db2.gz OHEFPQPRBFRAOY-LJQANCHMSA-N 1 0 381.476 3.723 20 30 GHEDRO C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000837364699 1024383255 /nfs/dbraw/zinc/38/32/55/1024383255.db2.gz APEHYYKOBFSUMW-CCEZHUSRSA-N 1 0 383.414 3.682 20 30 GHEDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@H]21 ZINC001141298163 1024443184 /nfs/dbraw/zinc/44/31/84/1024443184.db2.gz LWBIHWRUXZQGNF-SIKLNZKXSA-N 1 0 375.472 3.793 20 30 GHEDRO C#CC1CCN(C(=O)Nc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)CC1 ZINC000831351460 1024513050 /nfs/dbraw/zinc/51/30/50/1024513050.db2.gz HQLYEFCOUKETMD-UHFFFAOYSA-N 1 0 388.943 3.749 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc4nccnc34)C[C@@H]2c2ccccc2)C1=O ZINC001138301058 1024589534 /nfs/dbraw/zinc/58/95/34/1024589534.db2.gz AUGRGYSGJMHXBI-BWKNWUBXSA-N 1 0 398.510 3.634 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)cc1OC ZINC001138346727 1024708816 /nfs/dbraw/zinc/70/88/16/1024708816.db2.gz MOQHWPBFCRJDHQ-UHFFFAOYSA-N 1 0 386.879 3.799 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C(=O)OC)c2)cc1OC ZINC001138348363 1024710759 /nfs/dbraw/zinc/71/07/59/1024710759.db2.gz SHRSRKAXRZKYFQ-FQEVSTJZSA-N 1 0 379.456 3.831 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3cccc(-c4ccsc4)c3)CC2)C1=O ZINC001141381430 1024798503 /nfs/dbraw/zinc/79/85/03/1024798503.db2.gz DMXZSZGVMPHJCB-UHFFFAOYSA-N 1 0 395.572 3.710 20 30 GHEDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)c1 ZINC001138433899 1024837974 /nfs/dbraw/zinc/83/79/74/1024837974.db2.gz DMZDXYMFQPOQRU-XMMPIXPASA-N 1 0 389.499 3.894 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cccc2c1[C@@]1(CCc3cccc(O)c31)CC2 ZINC001229032974 1033241671 /nfs/dbraw/zinc/24/16/71/1033241671.db2.gz PCVKWZKDANDSAO-DVECYGJZSA-O 1 0 377.508 3.938 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138448109 1024868543 /nfs/dbraw/zinc/86/85/43/1024868543.db2.gz KPBOGXQGTMZEHF-JTHBVZDNSA-N 1 0 381.520 3.959 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OC)c(Cl)c3)C2)C1 ZINC001138469251 1024896109 /nfs/dbraw/zinc/89/61/09/1024896109.db2.gz YDDFJMDZFWPIRV-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cncn3Cc3ccccc3)C2)C1 ZINC001138561364 1025025544 /nfs/dbraw/zinc/02/55/44/1025025544.db2.gz NPBUXJATRUNFBG-QHCPKHFHSA-N 1 0 394.519 3.542 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4cc(OC)ccc34)C2)C1 ZINC001138588089 1025071939 /nfs/dbraw/zinc/07/19/39/1025071939.db2.gz SEQQSFUJCBTGIP-JOCHJYFZSA-N 1 0 383.492 3.787 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1N1CCCCC1)CC2 ZINC001138605306 1025092459 /nfs/dbraw/zinc/09/24/59/1025092459.db2.gz RZCKQASUOJNICS-UHFFFAOYSA-N 1 0 383.536 3.897 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)c1O ZINC001138631333 1025136142 /nfs/dbraw/zinc/13/61/42/1025136142.db2.gz PRNCPCBLBDDBOC-UHFFFAOYSA-N 1 0 395.503 3.915 20 30 GHEDRO C=CC[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccncc1 ZINC000838479108 1025161591 /nfs/dbraw/zinc/16/15/91/1025161591.db2.gz ZKHPFFCNKGNRNX-DENIHFKCSA-N 1 0 378.520 3.862 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC001138663647 1025185300 /nfs/dbraw/zinc/18/53/00/1025185300.db2.gz BHBHHLQLNCCSQM-OAQYLSRUSA-N 1 0 391.515 3.675 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000832259829 1025383091 /nfs/dbraw/zinc/38/30/91/1025383091.db2.gz WNWZGQHWKCRODV-HKBOAZHASA-N 1 0 399.535 3.561 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1nc2ccccc2cc1Br ZINC000838817931 1025385603 /nfs/dbraw/zinc/38/56/03/1025385603.db2.gz SEYQHHOTVCYERP-AWEZNQCLSA-N 1 0 389.293 3.888 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(N(CC)CC)s1)CC2 ZINC001138801640 1025388102 /nfs/dbraw/zinc/38/81/02/1025388102.db2.gz VCTFTPHLTQRLDY-FQEVSTJZSA-N 1 0 376.570 3.522 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161987806 1025522035 /nfs/dbraw/zinc/52/20/35/1025522035.db2.gz ROEOSTYXKYOSSY-UHFFFAOYSA-N 1 0 394.828 3.831 20 30 GHEDRO N#Cc1ncc(Cl)nc1NCC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001161992744 1025527065 /nfs/dbraw/zinc/52/70/65/1025527065.db2.gz VWVPCMZGECOEIY-UHFFFAOYSA-N 1 0 376.291 3.679 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162039343 1025556355 /nfs/dbraw/zinc/55/63/55/1025556355.db2.gz FVGAZRIZDHZKOH-UHFFFAOYSA-N 1 0 375.501 3.810 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc3[nH]ccc3c1Cl)C2 ZINC001138929787 1025598149 /nfs/dbraw/zinc/59/81/49/1025598149.db2.gz BCIHUPPZPQXDJT-XLIONFOSSA-N 1 0 375.900 3.742 20 30 GHEDRO C=CCN(Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C)Cc1ccccc1 ZINC001141574866 1025636211 /nfs/dbraw/zinc/63/62/11/1025636211.db2.gz GJLNZOFBVKKPHI-UHFFFAOYSA-N 1 0 396.579 3.891 20 30 GHEDRO N#CC1(c2ccc(N(CC3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)nc2)CCOCC1 ZINC001162187245 1025655035 /nfs/dbraw/zinc/65/50/35/1025655035.db2.gz IIMQEQIBKBNUHU-MEMLXQNLSA-N 1 0 382.552 3.920 20 30 GHEDRO COC(=O)c1cccc(CN(c2nc(C)ccc2CC#N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162192163 1025660015 /nfs/dbraw/zinc/66/00/15/1025660015.db2.gz OXDGKQJSNRGNNE-MEMLXQNLSA-N 1 0 392.503 3.519 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162197914 1025664670 /nfs/dbraw/zinc/66/46/70/1025664670.db2.gz WCXYLOPUXXYIHJ-WKILWMFISA-N 1 0 391.853 3.823 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001162227346 1025678838 /nfs/dbraw/zinc/67/88/38/1025678838.db2.gz RCGMNAGLGUBOEK-UHFFFAOYSA-N 1 0 377.879 3.772 20 30 GHEDRO N#Cc1cc2c(nc1N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)CCOC2 ZINC001162237338 1025685695 /nfs/dbraw/zinc/68/56/95/1025685695.db2.gz KSQSZUDNJQICFJ-OAQYLSRUSA-N 1 0 380.467 3.708 20 30 GHEDRO CC(C)Oc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001138984634 1025719867 /nfs/dbraw/zinc/71/98/67/1025719867.db2.gz OFHRSNCMODZLSK-XMMPIXPASA-N 1 0 389.499 3.974 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3c(Cl)ccc(Br)c32)CC1 ZINC000839447815 1025937379 /nfs/dbraw/zinc/93/73/79/1025937379.db2.gz KISPRIOSLCAJGA-UHFFFAOYSA-N 1 0 395.728 3.727 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162847054 1025938767 /nfs/dbraw/zinc/93/87/67/1025938767.db2.gz GUARTMXJQUYWKQ-GFCCVEGCSA-N 1 0 379.807 3.690 20 30 GHEDRO C#CC[N@@H+](CCc1cncs1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000839492018 1025981561 /nfs/dbraw/zinc/98/15/61/1025981561.db2.gz OPLYTICKUPNHQO-MRXNPFEDSA-N 1 0 377.307 3.907 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3cc(F)c(C#N)cc3[N+](=O)[O-])cc2)CC1 ZINC001162950090 1025982264 /nfs/dbraw/zinc/98/22/64/1025982264.db2.gz SHLLGIKYSOGGNG-UHFFFAOYSA-N 1 0 383.427 3.880 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001162995077 1026000738 /nfs/dbraw/zinc/00/07/38/1026000738.db2.gz RSRYWUMTXUKNKL-VFNWGFHPSA-N 1 0 387.443 3.947 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C(F)(F)F)C3)sc2C1 ZINC000839532824 1026025069 /nfs/dbraw/zinc/02/50/69/1026025069.db2.gz DASNDODAHJPFRH-NWDGAFQWSA-N 1 0 385.455 3.957 20 30 GHEDRO N#CCc1ccc(OCc2ccc(Nc3ccc([C@@H](C[NH3+])CO)cc3)nc2)cc1 ZINC001163054043 1026026565 /nfs/dbraw/zinc/02/65/65/1026026565.db2.gz VZONXKWLSDDSFK-FQEVSTJZSA-N 1 0 388.471 3.505 20 30 GHEDRO Cn1ccc2cc(C[N@@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)ccc21 ZINC001139194702 1026034426 /nfs/dbraw/zinc/03/44/26/1026034426.db2.gz VCIGJNNJEZCQCH-XMMPIXPASA-N 1 0 384.483 3.679 20 30 GHEDRO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001202910318 1026064033 /nfs/dbraw/zinc/06/40/33/1026064033.db2.gz CONYZVRRYVGDPH-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCC(O)(Cc3ccccc3)CC2)c1 ZINC001141654610 1026090394 /nfs/dbraw/zinc/09/03/94/1026090394.db2.gz FKHXVPARYZJQPN-UHFFFAOYSA-N 1 0 385.305 3.890 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1cc(Cl)nc2c1CCC2 ZINC001163474641 1026207236 /nfs/dbraw/zinc/20/72/36/1026207236.db2.gz NDVGXEDYRRFBFH-UHFFFAOYSA-N 1 0 378.854 3.940 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001139345776 1026211579 /nfs/dbraw/zinc/21/15/79/1026211579.db2.gz ZXZVQXLIYVRWQP-UHFFFAOYSA-N 1 0 376.504 3.987 20 30 GHEDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(-c3cc(C#N)ccn3)cc1)CC2 ZINC001139403569 1026275635 /nfs/dbraw/zinc/27/56/35/1026275635.db2.gz XXERFYPUAMXLFS-JOCHJYFZSA-N 1 0 391.515 3.885 20 30 GHEDRO Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)cc1 ZINC001139405723 1026277894 /nfs/dbraw/zinc/27/78/94/1026277894.db2.gz ZOQAJIAVYCCJHH-UHFFFAOYSA-N 1 0 396.494 3.887 20 30 GHEDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406964 1026280011 /nfs/dbraw/zinc/28/00/11/1026280011.db2.gz KZNFEHIRGMMULH-HSZRJFAPSA-N 1 0 390.531 3.695 20 30 GHEDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)n1 ZINC001139406659 1026280134 /nfs/dbraw/zinc/28/01/34/1026280134.db2.gz ZBFJVPNAOOLEGU-UHFFFAOYSA-N 1 0 385.471 3.762 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N2CCC(COCC[NH+]3CCCC3)CC2)c1C#N ZINC001163879364 1026348705 /nfs/dbraw/zinc/34/87/05/1026348705.db2.gz FHRBHIPYBVMWQI-UHFFFAOYSA-N 1 0 397.350 3.897 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(I)c1 ZINC001139512851 1026367367 /nfs/dbraw/zinc/36/73/67/1026367367.db2.gz IMRRBADQBDEVPZ-UHFFFAOYSA-N 1 0 380.204 3.934 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2cccc(C[NH+](C)C)c2)n1 ZINC001163992778 1026379383 /nfs/dbraw/zinc/37/93/83/1026379383.db2.gz CNWMEGACMUKKPA-BEOTVBTESA-N 1 0 386.565 3.945 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc1F ZINC001139527663 1026384032 /nfs/dbraw/zinc/38/40/32/1026384032.db2.gz HQAINYYLRJMBKU-UHFFFAOYSA-N 1 0 379.479 3.564 20 30 GHEDRO N#Cc1ccc(CN2CC(c3[nH+]cn4cc(Br)ccc34)C2)cc1F ZINC001139529612 1026388286 /nfs/dbraw/zinc/38/82/86/1026388286.db2.gz YWOZFAHSFFPSRZ-UHFFFAOYSA-N 1 0 385.240 3.707 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c2ccccc21 ZINC001139528967 1026388302 /nfs/dbraw/zinc/38/83/02/1026388302.db2.gz ZUCOATMNRBBGEZ-IBGZPJMESA-N 1 0 391.490 3.855 20 30 GHEDRO CCc1nc(C#N)cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC001164276342 1026475442 /nfs/dbraw/zinc/47/54/42/1026475442.db2.gz MBUZZLGNCFRRPF-FCHUYYIVSA-N 1 0 383.499 3.991 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H]21 ZINC001139649043 1026510298 /nfs/dbraw/zinc/51/02/98/1026510298.db2.gz KYMHDMBXGJHJRL-RZFNWQHOSA-N 1 0 378.495 3.825 20 30 GHEDRO COCCC[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139650772 1026512462 /nfs/dbraw/zinc/51/24/62/1026512462.db2.gz VNUSWPQUQJUZOX-GOSISDBHSA-N 1 0 391.487 3.545 20 30 GHEDRO N#Cc1c[nH]c2nc(Cl)nc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)c12 ZINC001164485252 1026526131 /nfs/dbraw/zinc/52/61/31/1026526131.db2.gz HVESGNANSLEFED-HYVNUMGLSA-N 1 0 392.894 3.805 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1N(C)C ZINC001139672455 1026527739 /nfs/dbraw/zinc/52/77/39/1026527739.db2.gz XMIVLWRSMRBVHQ-XMMPIXPASA-N 1 0 388.515 3.562 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C2)C1 ZINC001139702329 1026546984 /nfs/dbraw/zinc/54/69/84/1026546984.db2.gz AGLONJFDHBPRNR-MRXNPFEDSA-N 1 0 380.492 3.728 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c[nH]c21 ZINC001139701943 1026547188 /nfs/dbraw/zinc/54/71/88/1026547188.db2.gz UDZZYMSGAXJDCT-OAQYLSRUSA-N 1 0 384.483 3.535 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CCC[C@@H](c4noc(C(F)(F)F)n4)C3)c[nH]c21 ZINC001139703210 1026548790 /nfs/dbraw/zinc/54/87/90/1026548790.db2.gz LNEOQZZEINHFDQ-GFCCVEGCSA-N 1 0 375.354 3.821 20 30 GHEDRO Cn1c2ccccc2n(C2CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)c1=O ZINC001139703348 1026548846 /nfs/dbraw/zinc/54/88/46/1026548846.db2.gz OIFVIBBHYVUNSO-UHFFFAOYSA-N 1 0 385.471 3.530 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)CC[C@@H]21 ZINC001139704778 1026549965 /nfs/dbraw/zinc/54/99/65/1026549965.db2.gz XTFPEKKOQMBZBK-LPHOPBHVSA-N 1 0 380.492 3.871 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CCC[C@@]4(C[C@@H](Oc5ccccn5)CO4)C3)c[nH]c21 ZINC001139705625 1026551381 /nfs/dbraw/zinc/55/13/81/1026551381.db2.gz WIHYKVMTKKJJBQ-AUSIDOKSSA-N 1 0 388.471 3.637 20 30 GHEDRO CCn1c2ccccc2nc1N1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139707390 1026552046 /nfs/dbraw/zinc/55/20/46/1026552046.db2.gz ZBCGBVGKTCCSIL-UHFFFAOYSA-N 1 0 384.487 3.731 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1C#N ZINC001139725401 1026569045 /nfs/dbraw/zinc/56/90/45/1026569045.db2.gz OAXDIWSVFKSIAL-RUZDIDTESA-N 1 0 396.494 3.998 20 30 GHEDRO N#Cc1cc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cnc1Cl ZINC001165082463 1026593655 /nfs/dbraw/zinc/59/36/55/1026593655.db2.gz DLLBMLBSQKVOHE-QAPCUYQASA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC001139768636 1026604227 /nfs/dbraw/zinc/60/42/27/1026604227.db2.gz RTPSWPMNQVKIRT-UXHICEINSA-N 1 0 388.556 3.928 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCN(c3ccc(C#N)cn3)CC2)nc1 ZINC001165099527 1026606495 /nfs/dbraw/zinc/60/64/95/1026606495.db2.gz FJWUXGLFHMQUBM-OAQYLSRUSA-N 1 0 390.535 3.612 20 30 GHEDRO COC(=O)COc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001139775301 1026607086 /nfs/dbraw/zinc/60/70/86/1026607086.db2.gz JHKXLXUDBVEFLG-UHFFFAOYSA-N 1 0 378.472 3.565 20 30 GHEDRO CN(C[C@@H]1CC[NH2+]C1)C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001165124615 1026619581 /nfs/dbraw/zinc/61/95/81/1026619581.db2.gz JNGCGZDPFZMDMY-CQSZACIVSA-N 1 0 376.838 3.864 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)c1 ZINC001139874696 1026690313 /nfs/dbraw/zinc/69/03/13/1026690313.db2.gz IREIXQHTEVOKRH-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC001139874691 1026690375 /nfs/dbraw/zinc/69/03/75/1026690375.db2.gz ILXJINJNTKBLAJ-PKTZIBPZSA-N 1 0 395.478 3.680 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)c2ccccc21 ZINC001139875009 1026691462 /nfs/dbraw/zinc/69/14/62/1026691462.db2.gz RBTFOUDGJKJEHO-LJQANCHMSA-N 1 0 391.490 3.855 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)c1 ZINC001139876610 1026692311 /nfs/dbraw/zinc/69/23/11/1026692311.db2.gz GFTFBGNRPLHNGK-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2cc(F)cc(C#N)c2)CC3)cs1 ZINC001139877921 1026694624 /nfs/dbraw/zinc/69/46/24/1026694624.db2.gz YQDMFBYEAHFRHE-UHFFFAOYSA-N 1 0 398.507 3.620 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c12 ZINC001165433806 1026726952 /nfs/dbraw/zinc/72/69/52/1026726952.db2.gz KSFPYMYCHJUTFW-AAEUAGOBSA-N 1 0 376.838 3.721 20 30 GHEDRO N#Cc1cc(Cl)nc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001165477100 1026739356 /nfs/dbraw/zinc/73/93/56/1026739356.db2.gz DVFONVPNSBJGRX-XLIONFOSSA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1cc2nc(N(c3cccc(F)c3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc2[nH]1 ZINC001165481908 1026743570 /nfs/dbraw/zinc/74/35/70/1026743570.db2.gz RJKDBTZZWBVCNS-PGRDOPGGSA-N 1 0 391.450 3.623 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccccc1-n1ccnc1C)C2 ZINC001140026438 1026815037 /nfs/dbraw/zinc/81/50/37/1026815037.db2.gz YNXZRIFUMLOMKX-XZOQPEGZSA-N 1 0 381.520 3.754 20 30 GHEDRO C=CC[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001165745063 1026817281 /nfs/dbraw/zinc/81/72/81/1026817281.db2.gz RUULEAUUJRFCHS-GOSISDBHSA-N 1 0 375.944 3.667 20 30 GHEDRO CN1c2ccccc2C2(CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)CC1=O ZINC001140112580 1026893671 /nfs/dbraw/zinc/89/36/71/1026893671.db2.gz ASHRABBXWKPLIS-UHFFFAOYSA-N 1 0 384.483 3.940 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)[C@@H]1c1ccccc1 ZINC001140114588 1026897385 /nfs/dbraw/zinc/89/73/85/1026897385.db2.gz XRESKMOJEONJNM-QFIPXVFZSA-N 1 0 384.483 3.835 20 30 GHEDRO CC(=O)N1CC2(CC[NH+](Cc3ccc(C#N)cc3F)CC2)c2cc(C)ccc21 ZINC001140137762 1026911646 /nfs/dbraw/zinc/91/16/46/1026911646.db2.gz XQGANRQRTBWRRA-UHFFFAOYSA-N 1 0 377.463 3.906 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(C#N)cc4F)C3)C2=O)c1 ZINC001140138995 1026913178 /nfs/dbraw/zinc/91/31/78/1026913178.db2.gz XFYFMNJDLUSXEM-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)c(F)c1 ZINC001140138764 1026913224 /nfs/dbraw/zinc/91/32/24/1026913224.db2.gz QVVCGCYVEZGDSQ-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC001166903464 1027144625 /nfs/dbraw/zinc/14/46/25/1027144625.db2.gz UFUVVWLYDJITOM-QGZVFWFLSA-N 1 0 385.874 3.776 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)c2ccc(Br)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001141775095 1027210265 /nfs/dbraw/zinc/21/02/65/1027210265.db2.gz IWOAYWTYIIMNAO-AUUYWEPGSA-N 1 0 398.304 3.714 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC001203446968 1027344906 /nfs/dbraw/zinc/34/49/06/1027344906.db2.gz KESINRZMIWVAEV-GOSISDBHSA-N 1 0 393.288 3.968 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)CC1 ZINC001210372486 1027474272 /nfs/dbraw/zinc/47/42/72/1027474272.db2.gz FADDRHNMIKORAH-UHFFFAOYSA-N 1 0 390.491 3.501 20 30 GHEDRO COCCC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203762451 1027583089 /nfs/dbraw/zinc/58/30/89/1027583089.db2.gz IYFUTDMZFBZPGI-FQEVSTJZSA-N 1 0 387.524 3.796 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)c1 ZINC001203761660 1027583181 /nfs/dbraw/zinc/58/31/81/1027583181.db2.gz DAELECDWGYTQHU-NRFANRHFSA-N 1 0 377.488 3.651 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001141888221 1027592974 /nfs/dbraw/zinc/59/29/74/1027592974.db2.gz LZPQABMMIQBBER-UHFFFAOYSA-N 1 0 380.311 3.553 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(OC)c(F)c3)C[C@@H]2c2ccccc2)C1=O ZINC001203791564 1027606128 /nfs/dbraw/zinc/60/61/28/1027606128.db2.gz CIDBZMQEBIMWKM-YKSBVNFPSA-N 1 0 394.490 3.838 20 30 GHEDRO C[NH+]1CCC(n2cc(Nc3cc(F)c(Br)cc3C#N)cn2)CC1 ZINC001210758543 1027640158 /nfs/dbraw/zinc/64/01/58/1027640158.db2.gz QHYOJSZDQFZWPG-UHFFFAOYSA-N 1 0 378.249 3.667 20 30 GHEDRO C[C@@H]1[C@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](C)C[N@@H+]1C ZINC001461267376 1069471522 /nfs/dbraw/zinc/47/15/22/1069471522.db2.gz GRASXFXIMWHRER-KSZLIROESA-N 1 0 377.488 3.690 20 30 GHEDRO CSc1nc(C[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)ccc1C#N ZINC001141934487 1027700698 /nfs/dbraw/zinc/70/06/98/1027700698.db2.gz NBIBDUPRASIWJM-UHFFFAOYSA-N 1 0 398.576 3.680 20 30 GHEDRO CSc1nc(C[N@H+](C)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)ccc1C#N ZINC001141943842 1027720525 /nfs/dbraw/zinc/72/05/25/1027720525.db2.gz MSGIIBOMXMUMFN-IRXDYDNUSA-N 1 0 390.553 3.943 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3OC(F)(F)F)C2)C1=O ZINC001276430492 1027741748 /nfs/dbraw/zinc/74/17/48/1027741748.db2.gz OJKVQTRSRSQYHI-KRWDZBQOSA-N 1 0 388.817 3.849 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@](C)(c2ccccc2)C1)C(C)C ZINC001211221627 1027842523 /nfs/dbraw/zinc/84/25/23/1027842523.db2.gz HLTFLZUSARQTQQ-GGAORHGYSA-N 1 0 385.552 3.642 20 30 GHEDRO C=CCCCC[N@@H+](C)Cc1cc(I)c(O)c(OC)c1 ZINC001204112706 1027887007 /nfs/dbraw/zinc/88/70/07/1027887007.db2.gz MBIIUYHMJRZJMB-UHFFFAOYSA-N 1 0 375.250 3.794 20 30 GHEDRO Cc1cccc(-c2noc([C@@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)c1Cl ZINC001211379369 1027931200 /nfs/dbraw/zinc/93/12/00/1027931200.db2.gz GXJBNFYGACAXQR-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000840960583 1027991989 /nfs/dbraw/zinc/99/19/89/1027991989.db2.gz KXOHKYDFUVLILT-MRXNPFEDSA-N 1 0 377.366 3.787 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(OC(F)(F)F)ccc3O)cc2C#N)CC1 ZINC001214380530 1028706003 /nfs/dbraw/zinc/70/60/03/1028706003.db2.gz UKQYKVGYWSBKCK-UHFFFAOYSA-N 1 0 392.381 3.658 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(OC(F)(F)F)cc3O)cc2C#N)CC1 ZINC001214392581 1028711579 /nfs/dbraw/zinc/71/15/79/1028711579.db2.gz KAHKJSMXJMYION-UHFFFAOYSA-N 1 0 392.381 3.658 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142348386 1028728736 /nfs/dbraw/zinc/72/87/36/1028728736.db2.gz UEXMXSYKEISRDP-GOSISDBHSA-N 1 0 379.504 3.736 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2)s1 ZINC000841830595 1028970916 /nfs/dbraw/zinc/97/09/16/1028970916.db2.gz JODDDHTUBCCCNS-WDSOQIARSA-N 1 0 380.517 3.556 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(C)c(Cl)c3Cl)C2)C1=O ZINC001276719549 1029106799 /nfs/dbraw/zinc/10/67/99/1029106799.db2.gz QOSVXTOMKFYCOM-IBGZPJMESA-N 1 0 381.303 3.829 20 30 GHEDRO Cn1c(=O)c2ccccc2nc1N=NC1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842521093 1029362703 /nfs/dbraw/zinc/36/27/03/1029362703.db2.gz CARCPYBULCYRJM-UHFFFAOYSA-N 1 0 387.487 3.530 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000842683888 1029491771 /nfs/dbraw/zinc/49/17/71/1029491771.db2.gz FCEODCSSZDRTCR-IPMKNSEASA-N 1 0 385.508 3.562 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1C#N ZINC000842758859 1029569070 /nfs/dbraw/zinc/56/90/70/1029569070.db2.gz ICOXTVREVXHNQW-UHFFFAOYSA-N 1 0 381.476 3.881 20 30 GHEDRO C#CCN(C)CCC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC001461554987 1069606597 /nfs/dbraw/zinc/60/65/97/1069606597.db2.gz ZJCKMPWYPIYHPG-UHFFFAOYSA-N 1 0 378.339 3.617 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CCC[C@@]4(C[C@H](Oc5ccccn5)CO4)C3)c[nH]c2c1 ZINC001142929194 1029710643 /nfs/dbraw/zinc/71/06/43/1029710643.db2.gz ZNMGLMMRABEVCQ-WMZHIEFXSA-N 1 0 388.471 3.637 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(OC)cc(C)cc1OC)[C@H]2CC ZINC001143137696 1029862688 /nfs/dbraw/zinc/86/26/88/1029862688.db2.gz QEJLZENTPDJESC-GMAHTHKFSA-N 1 0 386.536 3.934 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1F ZINC001143166064 1029877784 /nfs/dbraw/zinc/87/77/84/1029877784.db2.gz CYDKWCXZRZJIQG-JOCHJYFZSA-N 1 0 399.416 3.600 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCCC1(C)C ZINC001222146179 1029977925 /nfs/dbraw/zinc/97/79/25/1029977925.db2.gz USLNAGZQCUCQQY-QFIPXVFZSA-N 1 0 398.595 3.975 20 30 GHEDRO N#Cc1c(-c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)cccc1[N+](=O)[O-] ZINC001216901345 1029988786 /nfs/dbraw/zinc/98/87/86/1029988786.db2.gz SSTOUHRHSZHWAY-XYOKQWHBSA-N 1 0 388.387 3.645 20 30 GHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000843420505 1029995050 /nfs/dbraw/zinc/99/50/50/1029995050.db2.gz FWFSJXJBGIPKAU-DEOSSOPVSA-N 1 0 386.499 3.730 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4cc(Cl)cc(C#N)c4)n3)cc2)CC1 ZINC001216984975 1030051712 /nfs/dbraw/zinc/05/17/12/1030051712.db2.gz CCDQZGBRQQAYHR-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001217979075 1030702046 /nfs/dbraw/zinc/70/20/46/1030702046.db2.gz DYYIQDMPTWABLC-ANJADALCSA-N 1 0 385.435 3.766 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CCC[NH2+]CC1 ZINC001217998602 1030714875 /nfs/dbraw/zinc/71/48/75/1030714875.db2.gz BCXUETPIPUZPGL-SFHVURJKSA-N 1 0 375.472 3.635 20 30 GHEDRO ON=Cc1cc(Br)cc(Br)c1O[C@@H]1CCC[NH2+]CC1 ZINC001218000246 1030715388 /nfs/dbraw/zinc/71/53/88/1030715388.db2.gz PGPQQUZTMXRDHQ-LLVKDONJSA-N 1 0 392.091 3.541 20 30 GHEDRO C[C@@H](Oc1c(Br)cc(C#N)cc1Br)C1CC[NH2+]CC1 ZINC001218002110 1030716495 /nfs/dbraw/zinc/71/64/95/1030716495.db2.gz AVNBQUJIYKQLKN-SECBINFHSA-N 1 0 388.103 3.850 20 30 GHEDRO C=CCc1c(O[C@@H]2CC[NH2+]CC[C@@H]2C)c2cccnc2n(-c2ccccc2)c1=O ZINC001218034875 1030735210 /nfs/dbraw/zinc/73/52/10/1030735210.db2.gz SKBVQYIRAXIFQZ-LAUBAEHRSA-N 1 0 389.499 3.881 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001223764954 1030742717 /nfs/dbraw/zinc/74/27/17/1030742717.db2.gz CSBUAHWLZLDIIN-LJQANCHMSA-N 1 0 384.863 3.789 20 30 GHEDRO C[C@H]1C[C@H](Oc2c(Br)cc(Br)cc2C=NO)CC[NH2+]1 ZINC001218054464 1030744514 /nfs/dbraw/zinc/74/45/14/1030744514.db2.gz ZSQOTDIZKMVFAF-GZMMTYOYSA-N 1 0 392.091 3.539 20 30 GHEDRO C=CCc1c(O[C@@H]2CC[NH2+][C@@H](C)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218054253 1030744900 /nfs/dbraw/zinc/74/49/00/1030744900.db2.gz YHPSUAXNAPIRHY-FUHWJXTLSA-N 1 0 375.472 3.634 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3Cc4ccc(C#N)cc4C3)C[C@@H]2C1 ZINC001461705558 1069690577 /nfs/dbraw/zinc/69/05/77/1069690577.db2.gz SAXVLOILTKRKCP-NRDMVMEKSA-N 1 0 381.520 3.651 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1C[C@@H]2CC[NH2+][C@H]2C1 ZINC001218249985 1030852134 /nfs/dbraw/zinc/85/21/34/1030852134.db2.gz KSYCDHJQCMEQNB-RILLCBMESA-N 1 0 391.515 3.840 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)c(C#N)c2)nc1C ZINC001218252842 1030854387 /nfs/dbraw/zinc/85/43/87/1030854387.db2.gz VEHQJALFLNNZPO-XYPHTWIQSA-N 1 0 397.500 3.686 20 30 GHEDRO O=C1c2c(O)ccc(O[C@@H]3CC[NH2+]C4(CCC4)C3)c2C(=O)C(Cl)=C1Cl ZINC001218307980 1030883430 /nfs/dbraw/zinc/88/34/30/1030883430.db2.gz FGDVOZHOVIAHTO-SECBINFHSA-N 1 0 382.243 3.514 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2C[NH2+]CCC23CC3)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218406758 1030925069 /nfs/dbraw/zinc/92/50/69/1030925069.db2.gz YQGODYCVGDNGFL-HXRGIAOBSA-N 1 0 395.455 3.523 20 30 GHEDRO C(#C[C@@H](Oc1ccnc2c3c(nn21)CC[NH2+]C3)c1ccccc1)c1ccccc1 ZINC001218439283 1030936858 /nfs/dbraw/zinc/93/68/58/1030936858.db2.gz RXYFGTSABSSVLS-JOCHJYFZSA-N 1 0 380.451 3.547 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)CC1 ZINC001461727648 1069705543 /nfs/dbraw/zinc/70/55/43/1069705543.db2.gz GTZUIXRLVPHWCQ-IYARVYRRSA-N 1 0 387.524 3.618 20 30 GHEDRO Cc1nc(-c2cccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccccc3C#N)c2)cs1 ZINC001218812803 1031090344 /nfs/dbraw/zinc/09/03/44/1031090344.db2.gz CBPQKKIMFKJFOT-UXHICEINSA-N 1 0 388.496 3.932 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)C[C@@H]([NH3+])Cc3c[nH]c4ccccc34)cc2s1 ZINC001218911128 1031148378 /nfs/dbraw/zinc/14/83/78/1031148378.db2.gz YZRRPXUDACOIIR-ZDUSSCGKSA-N 1 0 375.457 3.548 20 30 GHEDRO Cc1nc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccccc3C#N)c(C)cc2s1 ZINC001219105485 1031255171 /nfs/dbraw/zinc/25/51/71/1031255171.db2.gz JHMICVWONITIEM-SJORKVTESA-N 1 0 376.485 3.727 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC001225093019 1031255909 /nfs/dbraw/zinc/25/59/09/1031255909.db2.gz FAVAJVWXDHDWHP-FGSXEWAUSA-N 1 0 376.504 3.687 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC001225093025 1031256289 /nfs/dbraw/zinc/25/62/89/1031256289.db2.gz FAVAJVWXDHDWHP-KGVIQGDOSA-N 1 0 376.504 3.687 20 30 GHEDRO CCc1cc(NC(=O)[C@@H](c2ccsc2)N2CCC[NH2+]CC2)cc(CC)c1C#N ZINC001219112486 1031258280 /nfs/dbraw/zinc/25/82/80/1031258280.db2.gz ITUJMZYOWQRJMF-OAQYLSRUSA-N 1 0 396.560 3.720 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)C1 ZINC001219366838 1031380674 /nfs/dbraw/zinc/38/06/74/1031380674.db2.gz MSUVGATZMOQMGZ-QGZVFWFLSA-N 1 0 393.491 3.860 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219482678 1031448360 /nfs/dbraw/zinc/44/83/60/1031448360.db2.gz HVULHVBYHIQDQY-JXFKEZNVSA-N 1 0 390.987 3.666 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC001219912456 1031691024 /nfs/dbraw/zinc/69/10/24/1031691024.db2.gz QNEROSHPFNEDHD-YOEHRIQHSA-N 1 0 396.457 3.971 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cccc1Br)CC2 ZINC001276809758 1031743189 /nfs/dbraw/zinc/74/31/89/1031743189.db2.gz LDAWDJSUUPDDNT-INIZCTEOSA-N 1 0 377.326 3.662 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)cc2n1 ZINC001220157474 1031806308 /nfs/dbraw/zinc/80/63/08/1031806308.db2.gz KTLTUCXNLPXWIM-UHFFFAOYSA-N 1 0 381.524 3.952 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N[C@H](C[NH+](C)C)c3ccc(OC)cc3)cc2n1 ZINC001220157387 1031806933 /nfs/dbraw/zinc/80/69/33/1031806933.db2.gz IHBAFBAVNXNVDX-OAQYLSRUSA-N 1 0 393.491 3.655 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC001220438465 1031941723 /nfs/dbraw/zinc/94/17/23/1031941723.db2.gz RWOQJWLLVVXTTE-VXKWHMMOSA-N 1 0 399.579 3.627 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@]3(CCOC3)Oc3ccccc32)cc(OC)c1O ZINC001461836280 1069780203 /nfs/dbraw/zinc/78/02/03/1069780203.db2.gz MHCRSPGIMOINSQ-XXBNENTESA-N 1 0 381.472 3.902 20 30 GHEDRO CCCC[NH+](CCCC)CCNc1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001156905995 1033311115 /nfs/dbraw/zinc/31/11/15/1033311115.db2.gz ZMTIBNCLNDEVIG-QGZVFWFLSA-N 1 0 389.544 3.740 20 30 GHEDRO CC[NH+](CC)C[C@H](C)Oc1cc(/C=C2\Oc3cc(O)ccc3C2=O)ccc1O ZINC001229209945 1033344667 /nfs/dbraw/zinc/34/46/67/1033344667.db2.gz ZZSKPLXVIRTUPM-LRXPYSHVSA-N 1 0 383.444 3.823 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC001229291554 1033394620 /nfs/dbraw/zinc/39/46/20/1033394620.db2.gz GMOLTVCAOFGDFG-YKSBVNFPSA-N 1 0 389.543 3.730 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)ccc1F ZINC001205467213 1033425020 /nfs/dbraw/zinc/42/50/20/1033425020.db2.gz LZKLXGFUXAWWBV-DEOSSOPVSA-N 1 0 391.490 3.755 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001205473368 1033429213 /nfs/dbraw/zinc/42/92/13/1033429213.db2.gz WUMQOEPVTDMNRZ-HSZRJFAPSA-N 1 0 377.463 3.844 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC001205479052 1033432524 /nfs/dbraw/zinc/43/25/24/1033432524.db2.gz QBUWHNAQHDCICZ-UHFFFAOYSA-N 1 0 397.494 3.811 20 30 GHEDRO COCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001205502346 1033443921 /nfs/dbraw/zinc/44/39/21/1033443921.db2.gz RJPTXOHZXUDKKC-SFHVURJKSA-N 1 0 391.487 3.545 20 30 GHEDRO O=C1C=CC(=O)c2c(O[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc(O)c21 ZINC001229406701 1033463145 /nfs/dbraw/zinc/46/31/45/1033463145.db2.gz ASEMUMZTHZTTPY-PIIMJCKOSA-N 1 0 389.451 3.902 20 30 GHEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001229587148 1033575421 /nfs/dbraw/zinc/57/54/21/1033575421.db2.gz RHIHKRVDFLFIOQ-CYUHRDKRSA-N 1 0 395.455 3.704 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC001229689956 1033644217 /nfs/dbraw/zinc/64/42/17/1033644217.db2.gz AKLMJNNAYYVWTC-SBLNNXNXSA-N 1 0 397.471 3.864 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)cc(C)c1F ZINC001277414672 1033672915 /nfs/dbraw/zinc/67/29/15/1033672915.db2.gz WYPNZLITQAERLL-HZPDHXFCSA-N 1 0 381.289 3.648 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(C)cc(Br)c1OCC(=O)OCC)C(C)(C)C ZINC001206069973 1033709750 /nfs/dbraw/zinc/70/97/50/1033709750.db2.gz WVKJGVLKJUOEQI-INIZCTEOSA-N 1 0 396.325 3.837 20 30 GHEDRO N#Cc1ccc(-c2noc(CC3(c4cccc(Cl)c4)CC[NH2+]CC3)n2)nc1 ZINC001206094308 1033716207 /nfs/dbraw/zinc/71/62/07/1033716207.db2.gz GJDOKIDVDAANKQ-UHFFFAOYSA-N 1 0 379.851 3.521 20 30 GHEDRO CCC[NH+]1C[C@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)C[C@@H]2C1 ZINC001157693004 1033725190 /nfs/dbraw/zinc/72/51/90/1033725190.db2.gz URGUWFIPNJSPFU-IRXDYDNUSA-N 1 0 379.533 3.515 20 30 GHEDRO N#Cc1ccc(-c2noc(C3(c4ccc(C(F)(F)F)cc4)CC[NH2+]CC3)n2)nc1 ZINC001206140676 1033737867 /nfs/dbraw/zinc/73/78/67/1033737867.db2.gz CUXHKERIUMQNLA-UHFFFAOYSA-N 1 0 399.376 3.692 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001206336220 1033802407 /nfs/dbraw/zinc/80/24/07/1033802407.db2.gz QJWIFIXBWLJZMK-UHFFFAOYSA-N 1 0 384.524 3.600 20 30 GHEDRO COc1cccc(C2(Cc3nc(-c4cc(C#N)ccc4F)no3)CC[NH2+]CC2)c1 ZINC001206368781 1033816760 /nfs/dbraw/zinc/81/67/60/1033816760.db2.gz RDKXYFBJQXBZKY-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158032601 1033874111 /nfs/dbraw/zinc/87/41/11/1033874111.db2.gz VVWOVAVDPBTGFX-HSZRJFAPSA-N 1 0 378.520 3.663 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)C12CCOCC2 ZINC001206695081 1033948532 /nfs/dbraw/zinc/94/85/32/1033948532.db2.gz XAXITUHIEBJOJS-SJORKVTESA-N 1 0 377.529 3.512 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C1CCOCC1 ZINC001206727141 1033959296 /nfs/dbraw/zinc/95/92/96/1033959296.db2.gz FNRWHEKFAYBBCB-SFHVURJKSA-N 1 0 390.549 3.559 20 30 GHEDRO COc1cc(C)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001206762627 1033975104 /nfs/dbraw/zinc/97/51/04/1033975104.db2.gz MXRHVGKKMXLSSG-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO C[N@@H+]1CCN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)C2(CCCC2)C1 ZINC001158409854 1034065701 /nfs/dbraw/zinc/06/57/01/1034065701.db2.gz CVBSQILZUQDULX-UHFFFAOYSA-N 1 0 385.874 3.872 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)cc(Br)c1)CC2 ZINC001276509812 1034107167 /nfs/dbraw/zinc/10/71/67/1034107167.db2.gz JXWPFPJXCBGJBJ-QGZVFWFLSA-N 1 0 377.326 3.662 20 30 GHEDRO C=CCN(CC[N@@H+](C)CCc1cccc(C(F)(F)F)n1)C(=O)OC(C)(C)C ZINC001207199987 1034170599 /nfs/dbraw/zinc/17/05/99/1034170599.db2.gz WVGMEQPNPPEQNQ-UHFFFAOYSA-N 1 0 387.446 3.998 20 30 GHEDRO C=CCN(CC[N@@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1)C(=O)OC(C)(C)C ZINC001207204777 1034172113 /nfs/dbraw/zinc/17/21/13/1034172113.db2.gz XVNJQCAIGZZQQO-LJQANCHMSA-N 1 0 399.535 3.530 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CCCc3ccc(C[NH3+])nc32)c1C#N ZINC001158651453 1034216470 /nfs/dbraw/zinc/21/64/70/1034216470.db2.gz ASGSFFHWBJMBOE-UHFFFAOYSA-N 1 0 388.500 3.675 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)(C1)C2 ZINC001207273198 1034229382 /nfs/dbraw/zinc/22/93/82/1034229382.db2.gz OFKBCFYYCXXZNU-BVVFMGSASA-N 1 0 397.519 3.849 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001207374140 1034316953 /nfs/dbraw/zinc/31/69/53/1034316953.db2.gz FDVJKKVTVPEFAA-AZUAARDMSA-N 1 0 385.508 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001207376751 1034321079 /nfs/dbraw/zinc/32/10/79/1034321079.db2.gz ZVCRBHMIMQTTHN-RTBURBONSA-N 1 0 385.508 3.801 20 30 GHEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 ZINC001207390947 1034337775 /nfs/dbraw/zinc/33/77/75/1034337775.db2.gz CNXHQZQQCSMJMH-MOPGFXCFSA-N 1 0 388.508 3.632 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1cccc(Br)c1)C2 ZINC001207504911 1034408497 /nfs/dbraw/zinc/40/84/97/1034408497.db2.gz LCRSBQKCKVDAOV-RBUKOAKNSA-N 1 0 380.326 3.818 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3ccc(Cl)c(C#N)n3)nc3ccc(C)cc3n12 ZINC001159131264 1034440691 /nfs/dbraw/zinc/44/06/91/1034440691.db2.gz LNAKVPIGOKRIPD-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCCc3cccc(F)c3)CC2)cc1 ZINC001207604520 1034483311 /nfs/dbraw/zinc/48/33/11/1034483311.db2.gz RCWYDUFRGSTWNP-UHFFFAOYSA-N 1 0 380.467 3.916 20 30 GHEDRO C[Si](C)(C)C#Cc1nc(Br)cnc1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159216776 1034491092 /nfs/dbraw/zinc/49/10/92/1034491092.db2.gz NURUYQJYSHRIEI-UHFFFAOYSA-N 1 0 387.357 3.815 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[NH+]3CCC(C#Cc4ccccc4)CC3)[C@H]2C1 ZINC001207782164 1034575229 /nfs/dbraw/zinc/57/52/29/1034575229.db2.gz XEKODOYTFNPIKT-DKUWSORSSA-N 1 0 380.532 3.863 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001231441397 1034589772 /nfs/dbraw/zinc/58/97/72/1034589772.db2.gz MXCSWVUEAAKRMR-QHCPKHFHSA-N 1 0 390.531 3.941 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCN(Cc3cnc(Cl)c(C(F)(F)F)c3)C2)C1=O ZINC001277522210 1034610569 /nfs/dbraw/zinc/61/05/69/1034610569.db2.gz FUKHVKZQEQCPCW-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO C=CCCCCCCCCC[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001207898868 1034642656 /nfs/dbraw/zinc/64/26/56/1034642656.db2.gz GFGQYZGLMWYNPT-FQEVSTJZSA-N 1 0 380.573 3.679 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OCCCOC)cc1)C2 ZINC001231505839 1034650214 /nfs/dbraw/zinc/65/02/14/1034650214.db2.gz RAMCMIOMHQNLRY-GOTSBHOMSA-N 1 0 389.536 3.676 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC001159648765 1034702087 /nfs/dbraw/zinc/70/20/87/1034702087.db2.gz QAFWIYURBJOJJL-UHFFFAOYSA-N 1 0 378.432 3.636 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001231616763 1034773849 /nfs/dbraw/zinc/77/38/49/1034773849.db2.gz KHZOFWPFDFUAAS-JOCHJYFZSA-N 1 0 385.508 3.932 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CC(N3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001208178341 1034777805 /nfs/dbraw/zinc/77/78/05/1034777805.db2.gz QCZHHCRATVWREU-LJQANCHMSA-N 1 0 375.557 3.526 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)c1 ZINC001231622998 1034782852 /nfs/dbraw/zinc/78/28/52/1034782852.db2.gz PSRTUYQKLOPFJQ-UHFFFAOYSA-N 1 0 397.544 3.836 20 30 GHEDRO COc1ccc(C#N)cc1Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001159961616 1034803193 /nfs/dbraw/zinc/80/31/93/1034803193.db2.gz CQGVFTJXVGKPPR-UHFFFAOYSA-N 1 0 390.409 3.734 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC3(c4ccccc4)CCOCC3)C2)C1 ZINC001208215550 1034805912 /nfs/dbraw/zinc/80/59/12/1034805912.db2.gz DCMCCGJMLUCGRW-QHCPKHFHSA-N 1 0 398.547 3.845 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1 ZINC001231655905 1034812468 /nfs/dbraw/zinc/81/24/68/1034812468.db2.gz VXNGBQGZZKWUHN-UHFFFAOYSA-N 1 0 378.491 3.674 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC001231657664 1034814532 /nfs/dbraw/zinc/81/45/32/1034814532.db2.gz SFBUAVCVXWOSGY-VWLOTQADSA-N 1 0 381.479 3.799 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccc(Br)cc23)c1 ZINC001231662837 1034818651 /nfs/dbraw/zinc/81/86/51/1034818651.db2.gz JJGGOUOZUVZXPB-UHFFFAOYSA-N 1 0 395.300 3.916 20 30 GHEDRO CCOC(=O)c1cc(C)nc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)c1C#N ZINC001160012172 1034828092 /nfs/dbraw/zinc/82/80/92/1034828092.db2.gz QOTPKQFGBUXISN-AWEZNQCLSA-N 1 0 376.460 3.580 20 30 GHEDRO N#Cc1c(F)cc(Br)cc1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001160022131 1034834131 /nfs/dbraw/zinc/83/41/31/1034834131.db2.gz YDNBLTMGHGGMRA-UHFFFAOYSA-N 1 0 375.245 3.613 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3c2SCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001160100674 1034860860 /nfs/dbraw/zinc/86/08/60/1034860860.db2.gz OCHANYIHDNFZCI-UHFFFAOYSA-N 1 0 385.924 3.748 20 30 GHEDRO CCOC(=O)c1nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC001160107539 1034863598 /nfs/dbraw/zinc/86/35/98/1034863598.db2.gz UUTLPMXLXARTKV-UHFFFAOYSA-N 1 0 398.894 3.882 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2c3ccccc3OC[C@@H]2C[NH3+])c1 ZINC001160207783 1034901798 /nfs/dbraw/zinc/90/17/98/1034901798.db2.gz YMGYCZROHZJFIH-AWEZNQCLSA-N 1 0 393.834 3.652 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001208476309 1034909686 /nfs/dbraw/zinc/90/96/86/1034909686.db2.gz RMYPZPBCCDFBIN-KRWDZBQOSA-N 1 0 384.430 3.965 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1C)C2 ZINC001231798233 1034916398 /nfs/dbraw/zinc/91/63/98/1034916398.db2.gz SPKZRSTZTAAJJF-FYYLOGMGSA-N 1 0 379.504 3.778 20 30 GHEDRO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231816152 1034925578 /nfs/dbraw/zinc/92/55/78/1034925578.db2.gz JVKXHVJZKYANPN-UHFFFAOYSA-N 1 0 391.515 3.700 20 30 GHEDRO CCOc1ccc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC001231821724 1034929348 /nfs/dbraw/zinc/92/93/48/1034929348.db2.gz KAUYSKDPPSYICI-UHFFFAOYSA-N 1 0 378.520 3.757 20 30 GHEDRO COC(=O)C1(Nc2nc(C(C)C)ccc2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160301229 1034933987 /nfs/dbraw/zinc/93/39/87/1034933987.db2.gz NMXHTBRMMCCYNU-UHFFFAOYSA-N 1 0 392.503 3.696 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(-n3nc(-c4ccncc4)cc3C[NH3+])c12 ZINC001160345865 1034946453 /nfs/dbraw/zinc/94/64/53/1034946453.db2.gz ZRLDUTVGRKAXPG-UHFFFAOYSA-N 1 0 392.825 3.914 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](C[C@H]3COC4(CCCCC4)O3)CC2)C1 ZINC001208636507 1034964564 /nfs/dbraw/zinc/96/45/64/1034964564.db2.gz RIYVZMHTRXDLGG-IBGZPJMESA-N 1 0 392.540 3.563 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@H]3C[NH2+]C[C@H](c4ccccc4)C3)CC2)cc1 ZINC001160566460 1035003760 /nfs/dbraw/zinc/00/37/60/1035003760.db2.gz QPYKEWDEOCRGHU-DNQXCXABSA-N 1 0 387.527 3.733 20 30 GHEDRO Cc1ccc(C[C@H]([NH3+])C(=O)N2CCC(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001160565475 1035004098 /nfs/dbraw/zinc/00/40/98/1035004098.db2.gz GBQKERGEYZBLLR-QHCPKHFHSA-N 1 0 375.516 3.526 20 30 GHEDRO C=CCOC[C@H]1C[N@@H+](CCCc2ccc(F)cc2)Cc2nnn(CC3CC3)c21 ZINC001208768870 1035011559 /nfs/dbraw/zinc/01/15/59/1035011559.db2.gz WTSJEZVHUNFGQI-LJQANCHMSA-N 1 0 384.499 3.562 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC001160748678 1035054913 /nfs/dbraw/zinc/05/49/13/1035054913.db2.gz ZNQAQKPOBRDDRS-CHWSQXEVSA-N 1 0 397.788 3.746 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1 ZINC001208850125 1035057158 /nfs/dbraw/zinc/05/71/58/1035057158.db2.gz XVRVCIIVPUWIJU-QHCPKHFHSA-N 1 0 391.515 3.726 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)c1 ZINC001208849435 1035057178 /nfs/dbraw/zinc/05/71/78/1035057178.db2.gz HHSFXLGRTSBCBT-XMMPIXPASA-N 1 0 375.516 3.862 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1 ZINC001208849902 1035057293 /nfs/dbraw/zinc/05/72/93/1035057293.db2.gz PSUJFBJYRMKTCX-RBZQAINGSA-N 1 0 391.515 3.725 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC001208852108 1035057910 /nfs/dbraw/zinc/05/79/10/1035057910.db2.gz UMCZDCKWHISJSC-UPVQGACJSA-N 1 0 391.515 3.836 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1 ZINC001208852666 1035059108 /nfs/dbraw/zinc/05/91/08/1035059108.db2.gz PSUJFBJYRMKTCX-WXFUMESZSA-N 1 0 391.515 3.725 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](CCCc1ccc(C#N)cc1)CCO2 ZINC001208855379 1035060406 /nfs/dbraw/zinc/06/04/06/1035060406.db2.gz ADMULQVWBAXEDO-UHFFFAOYSA-N 1 0 399.535 3.593 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cc1 ZINC001208862038 1035064977 /nfs/dbraw/zinc/06/49/77/1035064977.db2.gz SDYAIHCMMJFACT-TUNNFDKTSA-N 1 0 397.544 3.644 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908191 1035084209 /nfs/dbraw/zinc/08/42/09/1035084209.db2.gz KDKOIXYQRREVLL-BJKOFHAPSA-N 1 0 384.564 3.977 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001160920754 1035094046 /nfs/dbraw/zinc/09/40/46/1035094046.db2.gz RZFJRPBKMLKVTQ-PCCBWWKXSA-N 1 0 386.536 3.788 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cc1Cl ZINC001232114531 1035103305 /nfs/dbraw/zinc/10/33/05/1035103305.db2.gz LHVICADTAWOAEC-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954584 1035127687 /nfs/dbraw/zinc/12/76/87/1035127687.db2.gz WNISHYBBTHSCMK-GMAHTHKFSA-N 1 0 375.516 3.924 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(NC(C)=O)cc1C)[C@@H]2CC ZINC001232184581 1035151162 /nfs/dbraw/zinc/15/11/62/1035151162.db2.gz RXOSSVHRPBJZEJ-GGAORHGYSA-N 1 0 383.536 3.875 20 30 GHEDRO C=CCN(CC[N@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1)C(=O)OCC ZINC001209022331 1035152120 /nfs/dbraw/zinc/15/21/20/1035152120.db2.gz VZPBLIAZJHVQCS-FDFHNCONSA-N 1 0 384.520 3.828 20 30 GHEDRO CCN(C(=O)Nc1cnc(OC)c(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001209051625 1035158588 /nfs/dbraw/zinc/15/85/88/1035158588.db2.gz ORHCJHLUDUOQEG-OXJNMPFZSA-N 1 0 393.491 3.651 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@H](CC[NH+]2CCC(c3cccc(C#N)c3)CC2)C1 ZINC001209067002 1035161358 /nfs/dbraw/zinc/16/13/58/1035161358.db2.gz OZECYEMMANYGBX-OAQYLSRUSA-N 1 0 399.535 3.764 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(CCc2ccc(Cl)cc2Cl)CC1 ZINC001209083415 1035166658 /nfs/dbraw/zinc/16/66/58/1035166658.db2.gz UIZAIZSDGNWAGN-UHFFFAOYSA-N 1 0 382.379 3.828 20 30 GHEDRO CC1(C)OCC(C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)CO1 ZINC001209197992 1035206850 /nfs/dbraw/zinc/20/68/50/1035206850.db2.gz CCROLGFRLFNVKA-UHFFFAOYSA-N 1 0 393.325 3.705 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3cccc([C@H]4CCC[NH2+]4)c3)C2)cc1 ZINC001161329064 1035209353 /nfs/dbraw/zinc/20/93/53/1035209353.db2.gz RXCCZVOIOYJFKW-FGZHOGPDSA-N 1 0 375.472 3.666 20 30 GHEDRO N#Cc1cnc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)c(C#N)c1 ZINC001161577582 1035263035 /nfs/dbraw/zinc/26/30/35/1035263035.db2.gz KHTRLOFUJQUXAC-UHFFFAOYSA-N 1 0 385.393 3.577 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001461958491 1069914240 /nfs/dbraw/zinc/91/42/40/1069914240.db2.gz BYCVBZVUZTXIPS-AEFFLSMTSA-N 1 0 386.540 3.749 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cnn(C)c1 ZINC001209443048 1035274987 /nfs/dbraw/zinc/27/49/87/1035274987.db2.gz KVDJIOOWAJWVNK-PKTZIBPZSA-N 1 0 388.600 3.654 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CCCn2cnc(COCC(=O)N(C)C)c2C1 ZINC001209444595 1035275820 /nfs/dbraw/zinc/27/58/20/1035275820.db2.gz VKYNAPORZZPVKS-UHFFFAOYSA-N 1 0 390.572 3.610 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1C[C@H](NC(=O)c2ccno2)[C@@H]2OCCC[C@@H]21 ZINC001209444627 1035275892 /nfs/dbraw/zinc/27/58/92/1035275892.db2.gz WPFJGCWHIQSEQH-BJLQDIEVSA-N 1 0 375.513 3.553 20 30 GHEDRO CCOc1cc(C(=O)OC)ccc1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001209684830 1035354763 /nfs/dbraw/zinc/35/47/63/1035354763.db2.gz IIWBIHHHKUDGMQ-NRFANRHFSA-N 1 0 394.471 3.787 20 30 GHEDRO Cc1cccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)c1Br ZINC001248155124 1035581621 /nfs/dbraw/zinc/58/16/21/1035581621.db2.gz HVSQLVRYQIMPOV-OAHLLOKOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc4nccc(Cl)c4c3)no2)cc1 ZINC001248156050 1035583175 /nfs/dbraw/zinc/58/31/75/1035583175.db2.gz OHAXFXSJHFPRTJ-MRXNPFEDSA-N 1 0 389.846 3.922 20 30 GHEDRO COc1c(Cl)ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)c1F ZINC001248158975 1035585625 /nfs/dbraw/zinc/58/56/25/1035585625.db2.gz IQHZRGSRPUGJPI-ZDUSSCGKSA-N 1 0 386.814 3.522 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241503592 1035596381 /nfs/dbraw/zinc/59/63/81/1035596381.db2.gz WLIGRCFRXNDHHS-LJQANCHMSA-N 1 0 390.487 3.715 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cccc(F)c2C(F)(F)F)no1 ZINC001248179576 1035608163 /nfs/dbraw/zinc/60/81/63/1035608163.db2.gz KAWGKMAEDVKDFG-ZDUSSCGKSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC001248179647 1035608192 /nfs/dbraw/zinc/60/81/92/1035608192.db2.gz KWRPCDRKDFSGTH-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO CC[NH+]1CCN(c2ccc(-c3nc(C#N)c(C#N)nc3-c3ccccc3)cc2)CC1 ZINC001241742650 1035666002 /nfs/dbraw/zinc/66/60/02/1035666002.db2.gz AFIVYIUOLCDBGM-UHFFFAOYSA-N 1 0 394.482 3.696 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cc1 ZINC001241784186 1035700997 /nfs/dbraw/zinc/70/09/97/1035700997.db2.gz QTXYLKBNHQCHGR-UHFFFAOYSA-N 1 0 391.515 3.607 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc([C@H](C[NH3+])Cc2ccccc2)n1 ZINC001248355940 1035773619 /nfs/dbraw/zinc/77/36/19/1035773619.db2.gz QOJDKEGEYCEEFX-AWEZNQCLSA-N 1 0 383.249 3.656 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cn4ccnc34)C2)C1 ZINC001248431031 1035846340 /nfs/dbraw/zinc/84/63/40/1035846340.db2.gz UACGPTMUXBSYLK-FQEVSTJZSA-N 1 0 388.899 3.598 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001242178796 1035851172 /nfs/dbraw/zinc/85/11/72/1035851172.db2.gz FSEBUIXSLCCMBR-LJQANCHMSA-N 1 0 389.517 3.846 20 30 GHEDRO COc1ccc(COc2cc(C#N)cc(-c3ccc(OC4C[NH2+]C4)cn3)c2)cc1 ZINC001242770917 1035955773 /nfs/dbraw/zinc/95/57/73/1035955773.db2.gz DYLDDHMBACQEDR-UHFFFAOYSA-N 1 0 387.439 3.558 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)NCC#C[C@H]1CCCCO1)c1ccc(Cl)cc1 ZINC001248627698 1036002615 /nfs/dbraw/zinc/00/26/15/1036002615.db2.gz AYPOMKRBHWLAOD-UXHICEINSA-N 1 0 391.943 3.595 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc(C[C@@H]([NH3+])CCC(N)=O)n2)cc1 ZINC001248643368 1036021529 /nfs/dbraw/zinc/02/15/29/1036021529.db2.gz ARGTWYYNADJEPE-KRWDZBQOSA-N 1 0 388.512 3.611 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Br)cnc1C)C2 ZINC001248779540 1036138397 /nfs/dbraw/zinc/13/83/97/1036138397.db2.gz ODIBETHSDCKTKW-OALUTQOASA-N 1 0 395.341 3.726 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3ncc(F)c(Oc4cccc(C#N)c4)n3)c2)CC1 ZINC001243669262 1036246221 /nfs/dbraw/zinc/24/62/21/1036246221.db2.gz KMZKEJVEJTUETH-UHFFFAOYSA-N 1 0 389.434 3.698 20 30 GHEDRO N#CC(C#N)c1nc2ccccc2nc1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245407798 1036911093 /nfs/dbraw/zinc/91/10/93/1036911093.db2.gz XEBFESYRPSLYDB-UHFFFAOYSA-N 1 0 383.455 3.696 20 30 GHEDRO CCn1cc(-c2ccc(COC3CC[NH2+]CC3)cc2)c2sc(C#N)cc2c1=O ZINC001245410493 1036913221 /nfs/dbraw/zinc/91/32/21/1036913221.db2.gz JRDQWBOGAWJORN-UHFFFAOYSA-N 1 0 393.512 3.890 20 30 GHEDRO C=CCCCCCC[C@@H](O)CN[C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001245982889 1037107857 /nfs/dbraw/zinc/10/78/57/1037107857.db2.gz PXFWXGSSGARVDT-YADHBBJMSA-N 1 0 390.568 3.705 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@@]2(CC[NH2+]2)C1 ZINC001246024300 1037140209 /nfs/dbraw/zinc/14/02/09/1037140209.db2.gz HNBUONQUGUXYIA-PKTZIBPZSA-N 1 0 398.632 3.739 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246217545 1037243801 /nfs/dbraw/zinc/24/38/01/1037243801.db2.gz TUHOTBXHAZPMHJ-PMVMPFDFSA-N 1 0 396.506 3.857 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246481350 1037428421 /nfs/dbraw/zinc/42/84/21/1037428421.db2.gz HGRVDLQMDSUJGR-XGHQBKJUSA-N 1 0 388.552 3.623 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CCN[C@@H](c4ccccc4)C3)C2)C1 ZINC001246546911 1037473896 /nfs/dbraw/zinc/47/38/96/1037473896.db2.gz FGFFCHTVRZCZEI-QZNHQXDQSA-N 1 0 383.536 3.590 20 30 GHEDRO CCCCCCCCNC(=S)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001247145368 1037945172 /nfs/dbraw/zinc/94/51/72/1037945172.db2.gz BGYUFROTSAJBMV-UHFFFAOYSA-N 1 0 377.602 3.530 20 30 GHEDRO C=CCOc1ccc(-c2noc(C3(Cc4cccnc4)CC[NH2+]CC3)n2)c(F)c1 ZINC001247307153 1038096463 /nfs/dbraw/zinc/09/64/63/1038096463.db2.gz UQRUUGMOSOUERG-UHFFFAOYSA-N 1 0 394.450 3.699 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c(Cl)ccnc3F)C[C@@H]2c2ccccc2)C1=O ZINC001232612188 1038398492 /nfs/dbraw/zinc/39/84/92/1038398492.db2.gz FZEQUVJJKBFHTG-GCJKJVERSA-N 1 0 399.897 3.878 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@H]4CCC5(CC[NH2+]CC5)N4)n3)cc2)cc1 ZINC001247861209 1038431580 /nfs/dbraw/zinc/43/15/80/1038431580.db2.gz PIRIKNQNWGUBIS-FQEVSTJZSA-N 1 0 385.471 3.822 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3CC4(CO3)CC[NH2+]CC4)n2)cc1Cl ZINC001247860711 1038431743 /nfs/dbraw/zinc/43/17/43/1038431743.db2.gz MGSQTSMGSYWQCU-CQSZACIVSA-N 1 0 379.247 3.746 20 30 GHEDRO N#Cc1ccc(-c2noc(C3CCN(C4CC[NH2+]CC4)CC3)n2)c2ccccc12 ZINC001247909972 1038484533 /nfs/dbraw/zinc/48/45/33/1038484533.db2.gz WXODYQLORGXVQK-UHFFFAOYSA-N 1 0 387.487 3.693 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@@H]4C[C@@H]5CC[NH2+]C[C@H]5O4)n3)cc2)cc1 ZINC001247911893 1038486633 /nfs/dbraw/zinc/48/66/33/1038486633.db2.gz VKQLLKSNNWBGLS-FFZOFVMBSA-N 1 0 388.427 3.840 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)[C@@H]2CC ZINC001232703055 1038503543 /nfs/dbraw/zinc/50/35/43/1038503543.db2.gz PBEAWKYKNPSIJT-KNQAVFIVSA-N 1 0 388.483 3.534 20 30 GHEDRO N#Cc1cc(CN2CCCN(c3ccc(F)cn3)CC2)ccc1Br ZINC001232893832 1038683910 /nfs/dbraw/zinc/68/39/10/1038683910.db2.gz PZZULPYEYUCKJB-UHFFFAOYSA-N 1 0 389.272 3.567 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001277736027 1038713139 /nfs/dbraw/zinc/71/31/39/1038713139.db2.gz ZOGSATBMKINWAD-FUHWJXTLSA-N 1 0 378.479 3.727 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)c(C#N)c1 ZINC001232965090 1038738800 /nfs/dbraw/zinc/73/88/00/1038738800.db2.gz LNRXNALZONKRPM-UHFFFAOYSA-N 1 0 381.545 3.795 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1ncccc1F)C2 ZINC001233081375 1038851135 /nfs/dbraw/zinc/85/11/35/1038851135.db2.gz WMFBPSYDZQQKDZ-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001233081387 1038852031 /nfs/dbraw/zinc/85/20/31/1038852031.db2.gz WYMHZVQMJYBSQQ-DNQXCXABSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCC2CCOCC2)C1 ZINC001233081829 1038855502 /nfs/dbraw/zinc/85/55/02/1038855502.db2.gz QUJVYABFONGMEK-BJKOFHAPSA-N 1 0 398.547 3.681 20 30 GHEDRO CN(C)c1ccc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1C#N ZINC001233102532 1038882070 /nfs/dbraw/zinc/88/20/70/1038882070.db2.gz DQMDCLKECIXBBB-HXUWFJFHSA-N 1 0 380.511 3.860 20 30 GHEDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)c(F)c1C#N ZINC001233102640 1038883406 /nfs/dbraw/zinc/88/34/06/1038883406.db2.gz HPUAYJOJYNUEBF-HSZRJFAPSA-N 1 0 393.462 3.605 20 30 GHEDRO CCCCCCCC[C@@H](O)CNc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001252134234 1038884446 /nfs/dbraw/zinc/88/44/46/1038884446.db2.gz VSIDZINUHQQLCZ-HXUWFJFHSA-N 1 0 377.573 3.970 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(c2ncccc2OC)CCOCC1 ZINC001252138660 1038889334 /nfs/dbraw/zinc/88/93/34/1038889334.db2.gz FLQMLNRKUPMCMJ-IBGZPJMESA-N 1 0 378.557 3.840 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC001462331974 1070177773 /nfs/dbraw/zinc/17/77/73/1070177773.db2.gz JHOBHCRNJPLGBV-YLJYHZDGSA-N 1 0 380.488 3.967 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001252594231 1039041715 /nfs/dbraw/zinc/04/17/15/1039041715.db2.gz VHOGUOWCSGTKKL-CQSZACIVSA-N 1 0 377.834 3.969 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(O)c3[nH]c(=O)ccc13)[C@@H]2CC ZINC001233292397 1039078654 /nfs/dbraw/zinc/07/86/54/1039078654.db2.gz KPTBWZIRZXHKKB-XXBNENTESA-N 1 0 395.503 3.568 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(OC)cc1F)[C@H]2CC ZINC001233342014 1039149207 /nfs/dbraw/zinc/14/92/07/1039149207.db2.gz LFKANLCOPZFVPM-FPOVZHCZSA-N 1 0 378.463 3.895 20 30 GHEDRO N#Cc1ccc(-c2csc(NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC001252923795 1039262564 /nfs/dbraw/zinc/26/25/64/1039262564.db2.gz UAJMMMXOZJXXRR-FQEVSTJZSA-N 1 0 396.541 3.792 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)cc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252935057 1039272606 /nfs/dbraw/zinc/27/26/06/1039272606.db2.gz BULYWBQOFUJXMK-IBGZPJMESA-N 1 0 375.394 3.626 20 30 GHEDRO N#Cc1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001252938017 1039281142 /nfs/dbraw/zinc/28/11/42/1039281142.db2.gz LNDYWYSPUSZZRO-LJQANCHMSA-N 1 0 375.394 3.626 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)C2 ZINC001233430385 1039301718 /nfs/dbraw/zinc/30/17/18/1039301718.db2.gz LHLCHTNHYWQVQJ-QFIPXVFZSA-N 1 0 387.524 3.804 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC(OCC(=O)N2CCCC2)CC1 ZINC001252983107 1039311314 /nfs/dbraw/zinc/31/13/14/1039311314.db2.gz RDFNGTRSGROVPG-OAQYLSRUSA-N 1 0 396.616 3.982 20 30 GHEDRO C=CCCC1(CNC(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC001252984350 1039312999 /nfs/dbraw/zinc/31/29/99/1039312999.db2.gz QEMUTRSNPINTFI-UHFFFAOYSA-N 1 0 390.616 3.715 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@@H](O)COC[C@@H](CC)CCCC)CCO2 ZINC001253001521 1039329513 /nfs/dbraw/zinc/32/95/13/1039329513.db2.gz NPJURBJSDZHNLP-MYDTUXCISA-N 1 0 397.600 3.654 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(CCOC)cc1 ZINC001253073355 1039401456 /nfs/dbraw/zinc/40/14/56/1039401456.db2.gz QIPJAKIHSMCUHM-ICSRJNTNSA-N 1 0 385.504 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](Oc3ccc4cccc(C#N)c4c3)C[C@H]2C1 ZINC001233568374 1039444649 /nfs/dbraw/zinc/44/46/49/1039444649.db2.gz ICBHMOXFEPEEPA-AZUAARDMSA-N 1 0 393.487 3.784 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001253234369 1039487899 /nfs/dbraw/zinc/48/78/99/1039487899.db2.gz AEJLSAJRPZRPRD-LADGPHEKSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)C(C)C)O2 ZINC001253236980 1039493298 /nfs/dbraw/zinc/49/32/98/1039493298.db2.gz GYBSFLQKFPVNPP-MQSCRBSSSA-N 1 0 394.600 3.660 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001253246978 1039501762 /nfs/dbraw/zinc/50/17/62/1039501762.db2.gz DZJXGFXYLZKVTE-OAQYLSRUSA-N 1 0 388.552 3.777 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](O)CCOCc2ccccc2)c(C(F)(F)F)c1 ZINC001253302395 1039547942 /nfs/dbraw/zinc/54/79/42/1039547942.db2.gz QTPNACRMFIDYBD-GOSISDBHSA-N 1 0 378.394 3.634 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001253395939 1039599041 /nfs/dbraw/zinc/59/90/41/1039599041.db2.gz UAZTWXUEPRCUFU-YTFSRNRJSA-N 1 0 388.515 3.742 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+]C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C(=O)NO ZINC001253499150 1039681093 /nfs/dbraw/zinc/68/10/93/1039681093.db2.gz NHUQUOXSVMINCW-VHFSOBRXSA-N 1 0 384.948 3.560 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588486 1039710891 /nfs/dbraw/zinc/71/08/91/1039710891.db2.gz WQICSYPZZLUJDZ-OALUTQOASA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C)cc21 ZINC001253599639 1039716135 /nfs/dbraw/zinc/71/61/35/1039716135.db2.gz RBYFVDSQBOBFQG-YLJYHZDGSA-N 1 0 386.536 3.845 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H](CC)CO ZINC001253613656 1039721753 /nfs/dbraw/zinc/72/17/53/1039721753.db2.gz AOBATCXWPKEJML-NHCUHLMSSA-N 1 0 375.594 3.662 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001462415908 1070237731 /nfs/dbraw/zinc/23/77/31/1070237731.db2.gz SIUBDRHRRBHMIF-AVRDEDQJSA-N 1 0 385.508 3.694 20 30 GHEDRO N#Cc1cccc2nc(=O)[nH]c(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c12 ZINC001234513736 1040091107 /nfs/dbraw/zinc/09/11/07/1040091107.db2.gz PDPWZQWUXKYEFL-REPLKXPHSA-N 1 0 386.455 3.781 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC1=O ZINC001254255109 1040101717 /nfs/dbraw/zinc/10/17/17/1040101717.db2.gz CNOFOBNPFSHBAQ-HXUWFJFHSA-N 1 0 382.504 3.676 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@]23C[C@H]2CN(C(=O)c2ccco2)C3)CC1 ZINC001254347085 1040180444 /nfs/dbraw/zinc/18/04/44/1040180444.db2.gz ZSCWUIHKQAMSNG-KHWUCYTFSA-N 1 0 393.462 3.627 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(N(c2cnccn2)C2CC[NH2+]CC2)CC1 ZINC001254359637 1040191389 /nfs/dbraw/zinc/19/13/89/1040191389.db2.gz MLKQSBSNQNORJJ-UHFFFAOYSA-N 1 0 379.483 3.578 20 30 GHEDRO CCN1CC[C@]2(CCC[N@@H+](C3CCC(C#N)(c4ccc(F)cc4)CC3)C2)C1=O ZINC001254358135 1040191492 /nfs/dbraw/zinc/19/14/92/1040191492.db2.gz WOMPVVZQSDKFAV-SDVLMSEASA-N 1 0 383.511 3.864 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001234717337 1040249006 /nfs/dbraw/zinc/24/90/06/1040249006.db2.gz XXUGYBYKLMALSM-WBNHJWIASA-N 1 0 395.455 3.618 20 30 GHEDRO [NH2+]=C(NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2cc(O)ccc2c1 ZINC001254469621 1040254976 /nfs/dbraw/zinc/25/49/76/1040254976.db2.gz SWMWVBXDEAAGQZ-UHFFFAOYSA-N 1 0 390.443 3.828 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001254482290 1040269747 /nfs/dbraw/zinc/26/97/47/1040269747.db2.gz RTXLJBWROPNNBS-FDDCHVKYSA-N 1 0 394.563 3.712 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](C3CCN(c4ccc(F)cc4)CC3)CC2)c(F)c1 ZINC001254633790 1040411044 /nfs/dbraw/zinc/41/10/44/1040411044.db2.gz UTBSLTQAAMWWCO-UHFFFAOYSA-N 1 0 382.458 3.627 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC001254636257 1040412970 /nfs/dbraw/zinc/41/29/70/1040412970.db2.gz IZNGOWCAIBCHAD-OALUTQOASA-N 1 0 384.524 3.526 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)C1 ZINC001254663904 1040424683 /nfs/dbraw/zinc/42/46/83/1040424683.db2.gz DYAPWQXERHERBU-MOPGFXCFSA-N 1 0 375.516 3.636 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@@H](C#N)C2)C1 ZINC001254677270 1040432827 /nfs/dbraw/zinc/43/28/27/1040432827.db2.gz RQTZUYPTTHYFLY-HSALFYBXSA-N 1 0 384.524 3.975 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001235020313 1040509948 /nfs/dbraw/zinc/50/99/48/1040509948.db2.gz RUGMBDSQIFMUNJ-UHFFFAOYSA-N 1 0 381.907 3.857 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4CC[NH2+][C@@H]4C3)c2)cc1 ZINC001235186786 1040676560 /nfs/dbraw/zinc/67/65/60/1040676560.db2.gz LEKJRYQOVBQCDE-MGPUTAFESA-N 1 0 398.304 3.907 20 30 GHEDRO CC[C@@H](CC#N)[NH+]1CCC2(CC[C@H](OCC(=O)N(C)C)c3ccccc32)CC1 ZINC001255167083 1040882652 /nfs/dbraw/zinc/88/26/52/1040882652.db2.gz VAUGUEZGDUJQQR-RXVVDRJESA-N 1 0 383.536 3.652 20 30 GHEDRO Cc1nc(CN2CCC3(CC[NH+](Cc4ccccc4CC#N)CC3)C2=O)cs1 ZINC001235514268 1040970604 /nfs/dbraw/zinc/97/06/04/1040970604.db2.gz JLZZXPBBAFYQTO-UHFFFAOYSA-N 1 0 394.544 3.532 20 30 GHEDRO CC(C)NC(=O)c1ccccc1OC1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235530214 1040977420 /nfs/dbraw/zinc/97/74/20/1040977420.db2.gz SRMBUIMPXQWWJM-UHFFFAOYSA-N 1 0 391.515 3.934 20 30 GHEDRO C=C(C)COc1ccccc1CN1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235566577 1040992193 /nfs/dbraw/zinc/99/21/93/1040992193.db2.gz SUIXCYOSCKTHFE-UHFFFAOYSA-N 1 0 380.536 3.886 20 30 GHEDRO O=C(c1ccc(C#CBr)cc1)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001278869715 1041094659 /nfs/dbraw/zinc/09/46/59/1041094659.db2.gz IBUNJJNVOAZCHP-OALUTQOASA-N 1 0 387.321 3.622 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255697054 1041222053 /nfs/dbraw/zinc/22/20/53/1041222053.db2.gz KUOYEBVSELTBDY-WBVHZDCISA-N 1 0 379.426 3.874 20 30 GHEDRO CN(Cc1cc(Oc2ccc(C#N)cc2)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC001235738098 1041225148 /nfs/dbraw/zinc/22/51/48/1041225148.db2.gz CHTIKGKAMQROFB-MRXNPFEDSA-N 1 0 386.293 3.907 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Br)ccc(C)c3F)C2)C1=O ZINC001235746280 1041232153 /nfs/dbraw/zinc/23/21/53/1041232153.db2.gz CPSSDARBOPTLSQ-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnc(Br)c(C)c1)CC2 ZINC001235828652 1041347665 /nfs/dbraw/zinc/34/76/65/1041347665.db2.gz QUGJGDNUYAPWKL-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO N#Cc1cc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1Br ZINC001235978211 1041480974 /nfs/dbraw/zinc/48/09/74/1041480974.db2.gz POWOTXKPENEKKX-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO C=CCOCc1nn([C@H]2CCc3cccc(Br)c3C2)c2c1C[NH2+]C2 ZINC001256134427 1041570566 /nfs/dbraw/zinc/57/05/66/1041570566.db2.gz HHLQUWLVAZNFAU-AWEZNQCLSA-N 1 0 388.309 3.681 20 30 GHEDRO COc1cccc(C[C@H](C)[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001256169224 1041613673 /nfs/dbraw/zinc/61/36/73/1041613673.db2.gz INFCKPBLDRAKJF-KRWDZBQOSA-N 1 0 392.503 3.784 20 30 GHEDRO CCOC(=O)N1CCC([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC001256244437 1041672854 /nfs/dbraw/zinc/67/28/54/1041672854.db2.gz JBLSRMLCVDRPHK-UHFFFAOYSA-N 1 0 391.899 3.676 20 30 GHEDRO CN(C)c1ccc(CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)c(F)c1C#N ZINC001236406637 1041703663 /nfs/dbraw/zinc/70/36/63/1041703663.db2.gz CGGLRRMISAWVLC-UHFFFAOYSA-N 1 0 384.474 3.657 20 30 GHEDRO CCOC1CCC([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001256441638 1041734144 /nfs/dbraw/zinc/73/41/44/1041734144.db2.gz MVHNDYAZAYEFCF-FOJYNEPKSA-N 1 0 397.563 3.825 20 30 GHEDRO C#CCOc1ccc(CN(Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236515458 1041748638 /nfs/dbraw/zinc/74/86/38/1041748638.db2.gz IHPIDMVNRQVRTB-UHFFFAOYSA-N 1 0 382.479 3.601 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1I ZINC001236642440 1041799432 /nfs/dbraw/zinc/79/94/32/1041799432.db2.gz BBGJTTQKAHAQLG-UHFFFAOYSA-N 1 0 392.240 3.803 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236719760 1041854870 /nfs/dbraw/zinc/85/48/70/1041854870.db2.gz ZJDNBERABNQEEW-HXUWFJFHSA-N 1 0 382.426 3.960 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(CC)cc3O)C[C@@H]2c2ccccc2)C1=O ZINC001236785183 1041891842 /nfs/dbraw/zinc/89/18/42/1041891842.db2.gz GRCSWPMWLQXNGY-RDGATRHJSA-N 1 0 390.527 3.959 20 30 GHEDRO N#Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccsc4Cl)C3)C2=O)c1 ZINC001278068160 1042092622 /nfs/dbraw/zinc/09/26/22/1042092622.db2.gz DVZJOHCLOJCNTM-HXUWFJFHSA-N 1 0 385.920 3.898 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccccc3NC(=O)C(C)(C)C)C2)CC1 ZINC001237395953 1042188263 /nfs/dbraw/zinc/18/82/63/1042188263.db2.gz LRKIWPQMNWPHSH-UHFFFAOYSA-N 1 0 399.535 3.892 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC001237411662 1042197193 /nfs/dbraw/zinc/19/71/93/1042197193.db2.gz ATARQGAGOLOENV-UHFFFAOYSA-N 1 0 379.460 3.569 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)C2 ZINC001237468225 1042221326 /nfs/dbraw/zinc/22/13/26/1042221326.db2.gz XXFLTBRGTCANMM-XZOQPEGZSA-N 1 0 379.504 3.624 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237471431 1042222956 /nfs/dbraw/zinc/22/29/56/1042222956.db2.gz UUTHRBOBWNBICS-QGZVFWFLSA-N 1 0 382.508 3.787 20 30 GHEDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1cn(C)c3ccc(C#N)cc13)CC2 ZINC001237472711 1042224041 /nfs/dbraw/zinc/22/40/41/1042224041.db2.gz LUEGTYYRXNVAML-IBGZPJMESA-N 1 0 379.504 3.995 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Cl)c3ccccc3[nH]c1=O)C2 ZINC001237500966 1042238250 /nfs/dbraw/zinc/23/82/50/1042238250.db2.gz NDELWWIVYXMFTD-VFNWGFHPSA-N 1 0 388.895 3.920 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3ncnc(Cl)c3c1)C2 ZINC001237576264 1042269459 /nfs/dbraw/zinc/26/94/59/1042269459.db2.gz JXHQZXVSJWJFOX-CTNGQTDRSA-N 1 0 387.911 3.857 20 30 GHEDRO N#Cc1ccc2nc(CN3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)cn2c1 ZINC001237615187 1042281812 /nfs/dbraw/zinc/28/18/12/1042281812.db2.gz VBANZHARCWZMKI-UHFFFAOYSA-N 1 0 394.438 3.713 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1 ZINC001237751299 1042353578 /nfs/dbraw/zinc/35/35/78/1042353578.db2.gz UKJZUBCFKAIBJN-UHFFFAOYSA-N 1 0 394.906 3.764 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238015760 1042460592 /nfs/dbraw/zinc/46/05/92/1042460592.db2.gz YVSNJZXRQKLWCS-JTHBVZDNSA-N 1 0 395.503 3.843 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(C4CC4)cnc3OC)CC2)C1 ZINC001238032433 1042467286 /nfs/dbraw/zinc/46/72/86/1042467286.db2.gz JNQSRBTZEZZUDK-UHFFFAOYSA-N 1 0 399.535 3.968 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2ccc(C#N)cc2Cl)CC3)cn1 ZINC001238083953 1042486428 /nfs/dbraw/zinc/48/64/28/1042486428.db2.gz ZRCAPDVQPFBDMG-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)ccc1Cl ZINC001238190761 1042514405 /nfs/dbraw/zinc/51/44/05/1042514405.db2.gz KZJPFSVYEWWHHN-PKTZIBPZSA-N 1 0 395.934 3.729 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)ccc1Cl ZINC001238192761 1042515381 /nfs/dbraw/zinc/51/53/81/1042515381.db2.gz WQGJFYPBVDVTHZ-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)ccc1Cl ZINC001238192038 1042515433 /nfs/dbraw/zinc/51/54/33/1042515433.db2.gz XGIQWRSTYQLYNY-HXUWFJFHSA-N 1 0 397.906 3.947 20 30 GHEDRO CCCCCCCCS(=O)(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001238205355 1042518487 /nfs/dbraw/zinc/51/84/87/1042518487.db2.gz YEGPDODSBYCEMU-LJQANCHMSA-N 1 0 394.581 3.912 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(OC)ccc3-c3ccncc3)C2)C1=O ZINC001238651012 1042670133 /nfs/dbraw/zinc/67/01/33/1042670133.db2.gz TYFNILBUNIDRRB-DEOSSOPVSA-N 1 0 391.515 3.758 20 30 GHEDRO CSc1ncc(C)cc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001238719626 1042700907 /nfs/dbraw/zinc/70/09/07/1042700907.db2.gz CEEFXTKKIFAAQG-UHFFFAOYSA-N 1 0 395.532 3.770 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)ccc1C#N ZINC001238761163 1042717423 /nfs/dbraw/zinc/71/74/23/1042717423.db2.gz SLUBHSIGLDEDLJ-UHFFFAOYSA-N 1 0 379.504 3.581 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)ccc1C#N ZINC001238762697 1042718839 /nfs/dbraw/zinc/71/88/39/1042718839.db2.gz MZZUQIKAKQTYOK-BJKOFHAPSA-N 1 0 391.515 3.856 20 30 GHEDRO CCc1cc(C[N@H+](C2COC2)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001238779306 1042724978 /nfs/dbraw/zinc/72/49/78/1042724978.db2.gz VNPOAIUVEBMUKW-UHFFFAOYSA-N 1 0 399.535 3.721 20 30 GHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N(C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001239157455 1042775323 /nfs/dbraw/zinc/77/53/23/1042775323.db2.gz UEUNDKKYSMWMIE-JCNLHEQBSA-N 1 0 395.956 3.805 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001239222145 1042789210 /nfs/dbraw/zinc/78/92/10/1042789210.db2.gz BGHDSCRMUPMEHG-UHFFFAOYSA-N 1 0 392.547 3.864 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2(c3ccccc3Cl)CC[NH2+]CC2)cc1 ZINC001239395396 1042822456 /nfs/dbraw/zinc/82/24/56/1042822456.db2.gz MRQRAGXQOCPSJC-UHFFFAOYSA-N 1 0 384.936 3.819 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001291045336 1043051708 /nfs/dbraw/zinc/05/17/08/1043051708.db2.gz BUFGBDRVPAILBA-ROUUACIJSA-N 1 0 380.540 3.782 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)CC1 ZINC001291768304 1043450797 /nfs/dbraw/zinc/45/07/97/1043450797.db2.gz VCQHIQZFSZMOCY-GOSISDBHSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@H]1C[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557460 1043527099 /nfs/dbraw/zinc/52/70/99/1043527099.db2.gz JNABBOMEBZLQCV-UGKGYDQZSA-N 1 0 392.522 3.872 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC001256606687 1043570472 /nfs/dbraw/zinc/57/04/72/1043570472.db2.gz XEBRBPCLXRYBPK-DEOSSOPVSA-N 1 0 381.564 3.684 20 30 GHEDRO C=CCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)c1 ZINC001292038516 1043573260 /nfs/dbraw/zinc/57/32/60/1043573260.db2.gz HEOSQBBXMRKXTL-LADGPHEKSA-N 1 0 392.499 3.729 20 30 GHEDRO COc1cccc2c1CC[C@@H](NC1(C#N)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256639365 1043587259 /nfs/dbraw/zinc/58/72/59/1043587259.db2.gz NAWGJEMXCVKESA-OAQYLSRUSA-N 1 0 375.516 3.700 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001292458139 1043742901 /nfs/dbraw/zinc/74/29/01/1043742901.db2.gz LHLDYEWLFYXARQ-SFHVURJKSA-N 1 0 394.567 3.978 20 30 GHEDRO N#CC1CCC([N@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC1 ZINC001256967716 1043776908 /nfs/dbraw/zinc/77/69/08/1043776908.db2.gz ICNVWQFVQMTKGM-UHFFFAOYSA-N 1 0 380.517 3.878 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257010229 1043796764 /nfs/dbraw/zinc/79/67/64/1043796764.db2.gz UTHXXNDIAWOTCM-CBNMVNINSA-N 1 0 399.535 3.810 20 30 GHEDRO COC(=O)[C@H](Cc1ccc(C)cn1)NC1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016043 1043800573 /nfs/dbraw/zinc/80/05/73/1043800573.db2.gz SEKJUOHZJVBBJM-AOMIVXANSA-N 1 0 377.488 3.662 20 30 GHEDRO N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4CCN(c5ncccn5)C[C@H]4C3)CC2)cc1 ZINC001257018267 1043803397 /nfs/dbraw/zinc/80/33/97/1043803397.db2.gz MYOZFSCKAHOZSM-JSPDHQCPSA-N 1 0 387.531 3.833 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+]([C@H](C)Cc1ccc(C(=O)OCC)cc1)CCC2 ZINC001257161090 1043907632 /nfs/dbraw/zinc/90/76/32/1043907632.db2.gz SVHFZBFYLZPNDA-GOSISDBHSA-N 1 0 397.519 3.599 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4OCCN(C(=O)OC(C)(C)C)[C@H]4C3)C[C@H](C1)C2 ZINC001257892204 1044247138 /nfs/dbraw/zinc/24/71/38/1044247138.db2.gz VLNDKPCPJWPWFF-VYFYYAICSA-N 1 0 376.541 3.832 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCC(CC(=O)OCC)CC1)C2 ZINC001258032130 1044358684 /nfs/dbraw/zinc/35/86/84/1044358684.db2.gz LWMQNVCEYGWMBE-FLQRSKGTSA-N 1 0 379.541 3.572 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2OC[C@@H](C(=O)Nc3cnccn3)C[C@H]2C1 ZINC001258044525 1044367018 /nfs/dbraw/zinc/36/70/18/1044367018.db2.gz PSIQAURRLJYMNP-FUMNGEBKSA-N 1 0 388.556 3.891 20 30 GHEDRO CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCC1 ZINC001293906281 1044372396 /nfs/dbraw/zinc/37/23/96/1044372396.db2.gz WAPZEGCARNHCLM-QGZVFWFLSA-N 1 0 380.540 3.926 20 30 GHEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001258228022 1044477707 /nfs/dbraw/zinc/47/77/07/1044477707.db2.gz CIYYXKRLQQCFQM-UGKGYDQZSA-N 1 0 379.589 3.719 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)cc1 ZINC001258395900 1044533250 /nfs/dbraw/zinc/53/32/50/1044533250.db2.gz XLLHNHIXJPHEJM-SFHVURJKSA-N 1 0 391.515 3.782 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[C@@H]2C)C1 ZINC001294461040 1044645864 /nfs/dbraw/zinc/64/58/64/1044645864.db2.gz PYOXHYFAWHKZOF-CUWPLCDZSA-N 1 0 392.551 3.641 20 30 GHEDRO COc1cc(C[C@@H](C)NC(=[NH2+])c2ccc3ccccc3n2)cc(OC)c1OC ZINC001258860911 1044800230 /nfs/dbraw/zinc/80/02/30/1044800230.db2.gz ZGMRSFQWBSEOHS-CQSZACIVSA-N 1 0 379.460 3.597 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccccc1CC#N ZINC001462890461 1070630571 /nfs/dbraw/zinc/63/05/71/1070630571.db2.gz GMBDAROTJPOFOW-UHFFFAOYSA-N 1 0 391.581 3.853 20 30 GHEDRO C#CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001296580279 1045340267 /nfs/dbraw/zinc/34/02/67/1045340267.db2.gz FBTKTLBYENHNHJ-IBGZPJMESA-N 1 0 376.500 3.980 20 30 GHEDRO CN(C(=O)c1cccc(CNc2ncccc2C#N)c1)C(C)(C)C[NH+]1CCCC1 ZINC001299664706 1045440699 /nfs/dbraw/zinc/44/06/99/1045440699.db2.gz XPIBFJCNNGQBHR-UHFFFAOYSA-N 1 0 391.519 3.512 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1CCC[NH+]1CCCCC1 ZINC001298283256 1045762845 /nfs/dbraw/zinc/76/28/45/1045762845.db2.gz AFCVJJSHEZHWDQ-UHFFFAOYSA-N 1 0 378.524 3.540 20 30 GHEDRO CN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCC1 ZINC001298387413 1045794432 /nfs/dbraw/zinc/79/44/32/1045794432.db2.gz WEICIZIGYIMIOR-UHFFFAOYSA-N 1 0 392.532 3.610 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300799224 1046166532 /nfs/dbraw/zinc/16/65/32/1046166532.db2.gz XYRPJQTVGULCKF-SIKLNZKXSA-N 1 0 397.954 3.931 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300907931 1046234707 /nfs/dbraw/zinc/23/47/07/1046234707.db2.gz VGYKEFDPTLIPIW-IBGZPJMESA-N 1 0 382.556 3.863 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300964357 1046263028 /nfs/dbraw/zinc/26/30/28/1046263028.db2.gz YYXZHYNFTSIFSV-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001301085979 1046328918 /nfs/dbraw/zinc/32/89/18/1046328918.db2.gz RRJMGTKMHOUJNF-PMACEKPBSA-N 1 0 387.572 3.941 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001301085705 1046329181 /nfs/dbraw/zinc/32/91/81/1046329181.db2.gz PFROQFRXBICIDS-WOJBJXKFSA-N 1 0 387.572 3.798 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001301096172 1046338035 /nfs/dbraw/zinc/33/80/35/1046338035.db2.gz ZQGOVKFOOHBHQB-HXUWFJFHSA-N 1 0 395.551 3.664 20 30 GHEDRO C[C@@H]1C[C@H](N(C)c2nnc(CCCCC#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC001262867330 1046390840 /nfs/dbraw/zinc/39/08/40/1046390840.db2.gz OHBQZHHPCVSYHO-UYAOXDASSA-N 1 0 380.540 3.541 20 30 GHEDRO C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001301207918 1046403480 /nfs/dbraw/zinc/40/34/80/1046403480.db2.gz IVRZXUCVDBVXEG-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCn1c([C@@H]2CCCc3cccnc32)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001262944761 1046441585 /nfs/dbraw/zinc/44/15/85/1046441585.db2.gz WVALUFLLRNWIFY-HXUWFJFHSA-N 1 0 394.567 3.638 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001301293309 1046459815 /nfs/dbraw/zinc/45/98/15/1046459815.db2.gz BIRYSINULLQQAK-NHCUHLMSSA-N 1 0 395.551 3.631 20 30 GHEDRO C=CCn1c(-c2ccc3cccnc3c2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001262975184 1046461085 /nfs/dbraw/zinc/46/10/85/1046461085.db2.gz WDSCAVWJLDDXDZ-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)[NH+](C)C ZINC001301334851 1046498850 /nfs/dbraw/zinc/49/88/50/1046498850.db2.gz PYMNSPBUMUJVFR-KRWDZBQOSA-N 1 0 385.556 3.727 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001301391939 1046522839 /nfs/dbraw/zinc/52/28/39/1046522839.db2.gz ZVPQGFFMXBXXJZ-LJQANCHMSA-N 1 0 387.572 3.820 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)C[C@@H]1C ZINC001263131755 1046577567 /nfs/dbraw/zinc/57/75/67/1046577567.db2.gz CDVSWJULTOKWFM-QYZOEREBSA-N 1 0 380.540 3.653 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001301965321 1046764953 /nfs/dbraw/zinc/76/49/53/1046764953.db2.gz JRHSFUUEQYPPSU-RXVVDRJESA-N 1 0 392.551 3.806 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001263406140 1046790029 /nfs/dbraw/zinc/79/00/29/1046790029.db2.gz YWQLDQCZQHWCFK-XUVXKRRUSA-N 1 0 384.572 3.509 20 30 GHEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001302514468 1046959841 /nfs/dbraw/zinc/95/98/41/1046959841.db2.gz QLVZPKKAPYEVRX-NRFANRHFSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[N@@H+](C)C(C)C ZINC001302595102 1046995955 /nfs/dbraw/zinc/99/59/55/1046995955.db2.gz FNFBAZAONMLFRU-UHFFFAOYSA-N 1 0 380.540 3.782 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001302738064 1047077099 /nfs/dbraw/zinc/07/70/99/1047077099.db2.gz UHBKUCHFGGZFHZ-LEWJYISDSA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001302737946 1047077365 /nfs/dbraw/zinc/07/73/65/1047077365.db2.gz SQPZTMKFMXUCIQ-GHTZIAJQSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001302737952 1047077483 /nfs/dbraw/zinc/07/74/83/1047077483.db2.gz SQPZTMKFMXUCIQ-WIYYLYMNSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302886924 1047169444 /nfs/dbraw/zinc/16/94/44/1047169444.db2.gz OVJLWAXHRCRLNM-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[NH+](C)C ZINC001303063005 1047267812 /nfs/dbraw/zinc/26/78/12/1047267812.db2.gz AELPIOGGFYGITP-SFHVURJKSA-N 1 0 393.539 3.533 20 30 GHEDRO C=CCCC[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC001303115531 1047281468 /nfs/dbraw/zinc/28/14/68/1047281468.db2.gz NPPIAFIWZXXDGO-QFIPXVFZSA-N 1 0 392.547 3.808 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001303171434 1047303427 /nfs/dbraw/zinc/30/34/27/1047303427.db2.gz UEELKJPOSLZWCR-GLBTYYSXSA-N 1 0 394.490 3.921 20 30 GHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)ccn1 ZINC001264695810 1047410667 /nfs/dbraw/zinc/41/06/67/1047410667.db2.gz RFXIBCJUCLEHDA-UHFFFAOYSA-N 1 0 398.532 3.866 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC001303756877 1047506238 /nfs/dbraw/zinc/50/62/38/1047506238.db2.gz SUZKWAFAFHOOKS-GOSISDBHSA-N 1 0 393.572 3.713 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)CC1 ZINC001303793035 1047513708 /nfs/dbraw/zinc/51/37/08/1047513708.db2.gz UWNDXVCWOZYCOY-SFHVURJKSA-N 1 0 394.544 3.520 20 30 GHEDRO C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001303932972 1047537357 /nfs/dbraw/zinc/53/73/57/1047537357.db2.gz DATDTTGXRADHMF-JOCHJYFZSA-N 1 0 396.514 3.700 20 30 GHEDRO Cc1csc(C[NH+]2CCC3(C[C@H]3C(=O)NC3(C#N)CCC3)CC2)c1Cl ZINC001279877595 1047978230 /nfs/dbraw/zinc/97/82/30/1047978230.db2.gz VOJAARIYMNLOGC-AWEZNQCLSA-N 1 0 377.941 3.875 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@H]3C[N@@H+](CCCC(F)(F)F)C[C@H]32)cc1 ZINC001279912872 1047987330 /nfs/dbraw/zinc/98/73/30/1047987330.db2.gz SOWVVKBEEJOLKT-GOEBONIOSA-N 1 0 382.455 3.604 20 30 GHEDRO N#Cc1ccc(NC(=S)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)cc1 ZINC001279912880 1047987545 /nfs/dbraw/zinc/98/75/45/1047987545.db2.gz SUBHEVPIMGSQOX-IYBDPMFKSA-N 1 0 382.455 3.746 20 30 GHEDRO CCCCCCCCNC(=S)N1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001279922967 1047989061 /nfs/dbraw/zinc/98/90/61/1047989061.db2.gz GIWWTJNTRITTBY-OAQYLSRUSA-N 1 0 382.662 3.571 20 30 GHEDRO CCCCCCCNC(=S)N1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001279956884 1048011380 /nfs/dbraw/zinc/01/13/80/1048011380.db2.gz BLVQUONFFDMXOK-OAQYLSRUSA-N 1 0 381.630 3.941 20 30 GHEDRO CCCCCCCNC(=S)N1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001279956992 1048011927 /nfs/dbraw/zinc/01/19/27/1048011927.db2.gz GNAGNWWCEXAXOU-OAQYLSRUSA-N 1 0 382.662 3.571 20 30 GHEDRO N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2ccc(Cl)c(F)c2)CCC1 ZINC001279965728 1048017126 /nfs/dbraw/zinc/01/71/26/1048017126.db2.gz UAJAGZNPHNDKIN-IDCJVQTKSA-N 1 0 375.875 3.546 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CCC3(C2)CC[NH+](Cc2scnc2Cl)CC3)CCC1 ZINC001279999770 1048035822 /nfs/dbraw/zinc/03/58/22/1048035822.db2.gz CECXMWWSNQLLDE-AWEZNQCLSA-N 1 0 392.956 3.741 20 30 GHEDRO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001280055009 1048066112 /nfs/dbraw/zinc/06/61/12/1048066112.db2.gz PFURKZJWLYTUHV-UZLBHIALSA-N 1 0 392.330 3.762 20 30 GHEDRO CC/C=C\CCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CC(CC#N)C1 ZINC001280236744 1048141413 /nfs/dbraw/zinc/14/14/13/1048141413.db2.gz JYNSFOKOPSVKTG-ZRHASKPBSA-N 1 0 375.582 3.693 20 30 GHEDRO CCCC[C@@H](CC)C[N@@H+]1CCCC2(CCN(S(=O)(=O)[C@@H](C)C#N)CC2)C1 ZINC001280300282 1048169006 /nfs/dbraw/zinc/16/90/06/1048169006.db2.gz VLGPXBCEGXVJNF-RBUKOAKNSA-N 1 0 383.602 3.623 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2CCC[C@@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)C1 ZINC001280312065 1048176119 /nfs/dbraw/zinc/17/61/19/1048176119.db2.gz TYLCVXSQCBTLQX-APWZRJJASA-N 1 0 377.941 3.766 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(C)nnc1N(Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001305704854 1048224366 /nfs/dbraw/zinc/22/43/66/1048224366.db2.gz NJGZPXJKNJKVTQ-JOCHJYFZSA-N 1 0 394.567 3.994 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+](CC)C(C)C ZINC001286284193 1048253332 /nfs/dbraw/zinc/25/33/32/1048253332.db2.gz ZDSYAUPSYWKMIZ-HNNXBMFYSA-N 1 0 391.922 3.926 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[NH+]1CCC(C)CC1 ZINC001286284518 1048254539 /nfs/dbraw/zinc/25/45/39/1048254539.db2.gz DPGWKWHSQWKIQX-GOSISDBHSA-N 1 0 390.535 3.616 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001286303766 1048265357 /nfs/dbraw/zinc/26/53/57/1048265357.db2.gz CURDKGDXKRWZSP-ROUUACIJSA-N 1 0 397.592 3.819 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001286373310 1048297698 /nfs/dbraw/zinc/29/76/98/1048297698.db2.gz LGAZRNAXOUIAFD-FQEVSTJZSA-N 1 0 379.552 3.511 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001286438764 1048321709 /nfs/dbraw/zinc/32/17/09/1048321709.db2.gz DRICGUDIJIMHSF-UHFFFAOYSA-N 1 0 391.519 3.806 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001286519443 1048346552 /nfs/dbraw/zinc/34/65/52/1048346552.db2.gz CPERAVBYDRARNE-PGRDOPGGSA-N 1 0 380.540 3.530 20 30 GHEDRO C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001286620335 1048392825 /nfs/dbraw/zinc/39/28/25/1048392825.db2.gz JMXGKQKUORIVDK-MRXNPFEDSA-N 1 0 395.979 3.625 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286644383 1048409343 /nfs/dbraw/zinc/40/93/43/1048409343.db2.gz ULZUKRAMFCCHNM-IBGZPJMESA-N 1 0 380.540 3.617 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286644016 1048409611 /nfs/dbraw/zinc/40/96/11/1048409611.db2.gz DYAZPKFEXZRZAQ-UHFFFAOYSA-N 1 0 396.461 3.704 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286644833 1048411021 /nfs/dbraw/zinc/41/10/21/1048411021.db2.gz KTHXAQKWUWDRFM-HXUWFJFHSA-N 1 0 394.567 3.925 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001286645919 1048412428 /nfs/dbraw/zinc/41/24/28/1048412428.db2.gz JGAZBYCQELNCSC-IBGZPJMESA-N 1 0 387.572 3.941 20 30 GHEDRO C=C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001286647745 1048415236 /nfs/dbraw/zinc/41/52/36/1048415236.db2.gz ANUXUUNUTMNEQS-HXUWFJFHSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCC(C)(C)Cn1c(COCC)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286676322 1048439288 /nfs/dbraw/zinc/43/92/88/1048439288.db2.gz JKIVOXXMLSWBJZ-SFHVURJKSA-N 1 0 389.588 3.728 20 30 GHEDRO CCc1nnc(N2CCC(C)(C#N)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306121585 1048444176 /nfs/dbraw/zinc/44/41/76/1048444176.db2.gz BILHZPBUFWTHPG-KDURUIRLSA-N 1 0 386.588 3.729 20 30 GHEDRO C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001286684611 1048446084 /nfs/dbraw/zinc/44/60/84/1048446084.db2.gz JXHGLVZGDRRVSG-UHFFFAOYSA-N 1 0 391.523 3.653 20 30 GHEDRO C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001286694404 1048455197 /nfs/dbraw/zinc/45/51/97/1048455197.db2.gz RHETVGNMDFVXRT-OAQYLSRUSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)CC)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286715574 1048472028 /nfs/dbraw/zinc/47/20/28/1048472028.db2.gz LLEYLJCJBFQUGH-UXHICEINSA-N 1 0 396.583 3.625 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[N@@H+]1CCC[C@@H]1C ZINC001286719418 1048474224 /nfs/dbraw/zinc/47/42/24/1048474224.db2.gz IJLCPAHVAYNYOF-HNNXBMFYSA-N 1 0 389.931 3.714 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001286720838 1048477378 /nfs/dbraw/zinc/47/73/78/1048477378.db2.gz KXOHKKATUNDTLN-KRWDZBQOSA-N 1 0 397.523 3.561 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(OC)cc2)n1CC[NH+]1CCCCC1)C1CC1 ZINC001286733311 1048490949 /nfs/dbraw/zinc/49/09/49/1048490949.db2.gz YBZNRDNKFLGZMN-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC001286734170 1048492107 /nfs/dbraw/zinc/49/21/07/1048492107.db2.gz PCHAJJAHIZLEMV-UHFFFAOYSA-N 1 0 382.556 3.560 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1CC[NH+]1CCCCC1 ZINC001286740209 1048499462 /nfs/dbraw/zinc/49/94/62/1048499462.db2.gz FJFYFQBIKLSGSM-UHFFFAOYSA-N 1 0 395.551 3.843 20 30 GHEDRO C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001286747689 1048503736 /nfs/dbraw/zinc/50/37/36/1048503736.db2.gz OZWNUSNUCLZLCV-HXUWFJFHSA-N 1 0 383.515 3.827 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1CCC[NH+]1CCC(C)CC1 ZINC001286755206 1048508807 /nfs/dbraw/zinc/50/88/07/1048508807.db2.gz OWGCLNCXXJNKBH-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1CC[N@H+]1CC=CCC1 ZINC001286764346 1048515397 /nfs/dbraw/zinc/51/53/97/1048515397.db2.gz MMDGJOMTISCNCF-UHFFFAOYSA-N 1 0 381.524 3.636 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286800143 1048527811 /nfs/dbraw/zinc/52/78/11/1048527811.db2.gz GYCWIFRLIILYMB-YSTOQKLRSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001286807072 1048533430 /nfs/dbraw/zinc/53/34/30/1048533430.db2.gz JCGHRCHJIFOCOF-FQEVSTJZSA-N 1 0 389.588 3.522 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCCC[NH+]1CCC(C)CC1 ZINC001286968291 1048560370 /nfs/dbraw/zinc/56/03/70/1048560370.db2.gz PWPKWZDXVIIRJR-IBGZPJMESA-N 1 0 388.604 3.975 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)C[C@@H](C)C#N ZINC001306723029 1048851819 /nfs/dbraw/zinc/85/18/19/1048851819.db2.gz NFYTWXFVNUGXOB-RBUKOAKNSA-N 1 0 395.555 3.591 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1(C)C ZINC001287891817 1048938796 /nfs/dbraw/zinc/93/87/96/1048938796.db2.gz HXWLETMEUWILMN-UHFFFAOYSA-N 1 0 380.540 3.926 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3cc(C)c([N+](=O)[O-])cc3C#N)c(C)c2)CC1 ZINC001306909818 1048956142 /nfs/dbraw/zinc/95/61/42/1048956142.db2.gz KHEMOZORCBHIIH-UHFFFAOYSA-N 1 0 379.464 3.969 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(CNc3nc(C)c(C#N)cc3Cl)cc2)CC1 ZINC001306932375 1048966472 /nfs/dbraw/zinc/96/64/72/1048966472.db2.gz ULCQNIMUOQUPKB-UHFFFAOYSA-N 1 0 383.927 3.665 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001307046303 1049038848 /nfs/dbraw/zinc/03/88/48/1049038848.db2.gz WPTYIUVSPKKVCV-OXJNMPFZSA-N 1 0 378.524 3.708 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001288507438 1049117012 /nfs/dbraw/zinc/11/70/12/1049117012.db2.gz MXPUXRAKZZIZKC-GOSISDBHSA-N 1 0 394.567 3.762 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC1(C)C)[N@H+](C)C1CC1 ZINC001288614491 1049162312 /nfs/dbraw/zinc/16/23/12/1049162312.db2.gz HELNDETXYSMVNQ-INIZCTEOSA-N 1 0 378.524 3.678 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001307449642 1049285825 /nfs/dbraw/zinc/28/58/25/1049285825.db2.gz OWWBGDFNTXCMPA-UHFFFAOYSA-N 1 0 382.508 3.891 20 30 GHEDRO CCC(CC)C[N@H+](CCC#N)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307514897 1049356453 /nfs/dbraw/zinc/35/64/53/1049356453.db2.gz OYRDQCUIFSESPC-IBGZPJMESA-N 1 0 381.561 3.646 20 30 GHEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cc2c(cc1Br)OCCO2 ZINC001307622615 1049457129 /nfs/dbraw/zinc/45/71/29/1049457129.db2.gz FHRXCIVEBZZERT-ZDUSSCGKSA-N 1 0 387.277 3.985 20 30 GHEDRO C#CCOCC[N@@H+](C)Cc1cc(Br)c(Cl)c(Br)c1 ZINC001307658009 1049483918 /nfs/dbraw/zinc/48/39/18/1049483918.db2.gz YAIYZRLIPPCBLY-UHFFFAOYSA-N 1 0 395.522 3.947 20 30 GHEDRO Cc1ccc([C@@H](Cn2c(C3CCC3)nnc2N2CCC(C#N)CC2)[NH+](C)C)cc1 ZINC001289482410 1049508362 /nfs/dbraw/zinc/50/83/62/1049508362.db2.gz MCTUMWIZBGSNTL-OAQYLSRUSA-N 1 0 392.551 3.897 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC001307696934 1049515606 /nfs/dbraw/zinc/51/56/06/1049515606.db2.gz QFUDEMYGTKLECD-DNQXCXABSA-N 1 0 375.516 3.958 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001307773313 1049582666 /nfs/dbraw/zinc/58/26/66/1049582666.db2.gz GRDQOLLPDNKQPN-FQEVSTJZSA-N 1 0 396.849 3.819 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001307840055 1049626045 /nfs/dbraw/zinc/62/60/45/1049626045.db2.gz RXZHVDHUGHDJGS-UXHICEINSA-N 1 0 397.588 3.858 20 30 GHEDRO CCO[C@@H]1C[N@H+](Cc2c(C)cc(C#N)cc2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307901027 1049678625 /nfs/dbraw/zinc/67/86/25/1049678625.db2.gz VPMYAAYMBJENRH-UYAOXDASSA-N 1 0 387.524 3.537 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC001307915913 1049692929 /nfs/dbraw/zinc/69/29/29/1049692929.db2.gz ZSZLXTLRTRVRMY-UONOGXRCSA-N 1 0 398.288 3.906 20 30 GHEDRO CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001307918224 1049693989 /nfs/dbraw/zinc/69/39/89/1049693989.db2.gz HSCGXIRFJAFDNQ-VWLOTQADSA-N 1 0 386.495 3.773 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](c1ccco1)[NH+](C)C ZINC001290095150 1049729056 /nfs/dbraw/zinc/72/90/56/1049729056.db2.gz YHUWSFQIEGIDPL-IEBWSBKVSA-N 1 0 392.507 3.888 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(CCc3ccncc3)CC2)cc1 ZINC001308004507 1049753585 /nfs/dbraw/zinc/75/35/85/1049753585.db2.gz RTYVHPKTEWJFGK-UHFFFAOYSA-N 1 0 382.511 3.981 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001308039415 1049789081 /nfs/dbraw/zinc/78/90/81/1049789081.db2.gz PISKDFYIJVVGMS-BESSAKFISA-N 1 0 389.584 3.834 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c1C ZINC001308151544 1049888458 /nfs/dbraw/zinc/88/84/58/1049888458.db2.gz MZFSBEMYLUKJJY-JTHBVZDNSA-N 1 0 396.579 3.745 20 30 GHEDRO Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCC[N@@H+](C)C(C)C ZINC001290823987 1049933492 /nfs/dbraw/zinc/93/34/92/1049933492.db2.gz KJLUECCVNGUWHP-JOCHJYFZSA-N 1 0 394.567 3.648 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1 ZINC001308328714 1049950094 /nfs/dbraw/zinc/95/00/94/1049950094.db2.gz KVAUHGNOGIJTRI-UHFFFAOYSA-N 1 0 379.382 3.952 20 30 GHEDRO N#Cc1ccc(Br)c(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001308390027 1049964700 /nfs/dbraw/zinc/96/47/00/1049964700.db2.gz KBBZQASJUWHHFX-GOSISDBHSA-N 1 0 384.321 3.932 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC001308419258 1049972192 /nfs/dbraw/zinc/97/21/92/1049972192.db2.gz QQPVNMBUPAEBPT-QGZVFWFLSA-N 1 0 380.326 3.740 20 30 GHEDRO C#CCC[C@H](O)C[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001308507992 1049993155 /nfs/dbraw/zinc/99/31/55/1049993155.db2.gz WTLAWLSHOQROTI-FQEVSTJZSA-N 1 0 395.503 3.960 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001308639464 1050043634 /nfs/dbraw/zinc/04/36/34/1050043634.db2.gz QNOKVDCXTQAXQH-MRXNPFEDSA-N 1 0 378.538 3.818 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1C#N ZINC001309088986 1050341274 /nfs/dbraw/zinc/34/12/74/1050341274.db2.gz YNTYSOAHKZFACP-WIYYLYMNSA-N 1 0 397.544 3.713 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001309287030 1050557992 /nfs/dbraw/zinc/55/79/92/1050557992.db2.gz MMQZISAIVTYWEN-SFHVURJKSA-N 1 0 389.565 3.532 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]([C@@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058530 1050948443 /nfs/dbraw/zinc/94/84/43/1050948443.db2.gz BSEXACKRLKNCDP-OALUTQOASA-N 1 0 399.564 3.901 20 30 GHEDRO CC(C)c1cc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH]n1 ZINC001331172387 1051206390 /nfs/dbraw/zinc/20/63/90/1051206390.db2.gz IATLJBQTAQIQGG-KRWDZBQOSA-N 1 0 376.464 3.834 20 30 GHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001310395335 1051327148 /nfs/dbraw/zinc/32/71/48/1051327148.db2.gz VCECXWODWVUUOK-VXKWHMMOSA-N 1 0 391.540 3.788 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ncc(C(F)(F)F)s1)C(C)C ZINC001310570386 1051456306 /nfs/dbraw/zinc/45/63/06/1051456306.db2.gz QLTAAAMHRHUBHZ-LBPRGKRZSA-N 1 0 376.448 3.982 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001332135171 1051463574 /nfs/dbraw/zinc/46/35/74/1051463574.db2.gz KSHUCJQKRXZMAG-QGZVFWFLSA-N 1 0 382.430 3.651 20 30 GHEDRO CC1(C)COCCN1CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001310605599 1051481213 /nfs/dbraw/zinc/48/12/13/1051481213.db2.gz TVXYIDMRADVFDH-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO Cc1cc(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001311069959 1051823128 /nfs/dbraw/zinc/82/31/28/1051823128.db2.gz CPFGXHZAZHGYLF-HKUYNNGSSA-N 1 0 377.492 3.684 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C[C@@H]2C1 ZINC001333932626 1051871210 /nfs/dbraw/zinc/87/12/10/1051871210.db2.gz VKGIDQSLOHNSJX-CEXWTWQISA-N 1 0 393.487 3.533 20 30 GHEDRO COc1ccc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001311120224 1051875094 /nfs/dbraw/zinc/87/50/94/1051875094.db2.gz MXMINHYUAPDVOE-IRXDYDNUSA-N 1 0 392.503 3.845 20 30 GHEDRO COc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1C#N ZINC001311120481 1051875233 /nfs/dbraw/zinc/87/52/33/1051875233.db2.gz VZETYRDKBPSEPA-FQEVSTJZSA-N 1 0 378.476 3.834 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)[NH+](CC)CC)cc1 ZINC001311215295 1051946143 /nfs/dbraw/zinc/94/61/43/1051946143.db2.gz HSCYPNANQBFWKX-SJORKVTESA-N 1 0 384.446 3.776 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@H](CC#N)C(F)(F)F)C1 ZINC001311216357 1051947060 /nfs/dbraw/zinc/94/70/60/1051947060.db2.gz IEOTTZDDEWCZAL-RVKKMQEKSA-N 1 0 396.457 3.808 20 30 GHEDRO O[C@@H](CC[C@H](O)c1ccccc1)C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001335460383 1052108401 /nfs/dbraw/zinc/10/84/01/1052108401.db2.gz NOXKLYPIOUNOEZ-PMACEKPBSA-N 1 0 377.406 3.521 20 30 GHEDRO CC(C)(C)OC(=O)NCc1cccc(C[NH2+]Cc2cccc(OCC#N)c2)c1 ZINC001335497273 1052117549 /nfs/dbraw/zinc/11/75/49/1052117549.db2.gz IULIHGWCFDQSKE-UHFFFAOYSA-N 1 0 381.476 3.903 20 30 GHEDRO C=CCCC1(CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCCC1 ZINC001311498166 1052203732 /nfs/dbraw/zinc/20/37/32/1052203732.db2.gz SWIKGECDTMIVGJ-UHFFFAOYSA-N 1 0 398.595 3.760 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C[C@H]2C1 ZINC001336272315 1052250352 /nfs/dbraw/zinc/25/03/52/1052250352.db2.gz SCALTOPDCWNZQI-XNRPHZJLSA-N 1 0 396.413 3.651 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)NCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC001312675670 1052834816 /nfs/dbraw/zinc/83/48/16/1052834816.db2.gz XXQSECDPVINZAP-INIZCTEOSA-N 1 0 391.928 3.550 20 30 GHEDRO C#Cc1ccc(CNC(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001312729637 1052850574 /nfs/dbraw/zinc/85/05/74/1052850574.db2.gz WWEUUEQRWXKQCL-HSZRJFAPSA-N 1 0 375.516 3.864 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC001312789926 1052871058 /nfs/dbraw/zinc/87/10/58/1052871058.db2.gz UGHZKOXBQFVSGV-SFHVURJKSA-N 1 0 392.341 3.559 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC001312853570 1052893210 /nfs/dbraw/zinc/89/32/10/1052893210.db2.gz VSAKLLZSFQDKNN-IRLDBZIGSA-N 1 0 381.520 3.785 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)s1 ZINC001312895317 1052904991 /nfs/dbraw/zinc/90/49/91/1052904991.db2.gz UBOIPAGCDXDJOD-UHFFFAOYSA-N 1 0 394.544 3.916 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1ccc(Cl)cc1F ZINC001312936168 1052915401 /nfs/dbraw/zinc/91/54/01/1052915401.db2.gz DPBUTQKZWMZXHC-HXUWFJFHSA-N 1 0 387.886 3.927 20 30 GHEDRO C[C@H](Cc1cccs1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312946917 1052918103 /nfs/dbraw/zinc/91/81/03/1052918103.db2.gz QWLPNMGYTFAWRI-QGZVFWFLSA-N 1 0 396.560 3.857 20 30 GHEDRO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001342298298 1053086369 /nfs/dbraw/zinc/08/63/69/1053086369.db2.gz ICQMGBPKZHBVSP-QZTJIDSGSA-N 1 0 375.561 3.652 20 30 GHEDRO CC[NH+](CC)CCCn1c(C2CCC2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001313716911 1053187900 /nfs/dbraw/zinc/18/79/00/1053187900.db2.gz AZIJINKYMBGASN-UHFFFAOYSA-N 1 0 380.540 3.786 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC1 ZINC001313907326 1053282359 /nfs/dbraw/zinc/28/23/59/1053282359.db2.gz BUFATNILYCIEFE-HXUWFJFHSA-N 1 0 378.524 3.680 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1)c1ccco1 ZINC001314650985 1053549689 /nfs/dbraw/zinc/54/96/89/1053549689.db2.gz NPKGBLUWVRWEJE-SFHVURJKSA-N 1 0 398.555 3.893 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001314666231 1053556633 /nfs/dbraw/zinc/55/66/33/1053556633.db2.gz VIPJVEWIKLFQEL-UHFFFAOYSA-N 1 0 380.540 3.663 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001343233047 1053637238 /nfs/dbraw/zinc/63/72/38/1053637238.db2.gz LHKDMBXHHIFEBJ-NSHGMRRFSA-N 1 0 387.572 3.652 20 30 GHEDRO C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)C1CCCC1 ZINC001314864228 1053655021 /nfs/dbraw/zinc/65/50/21/1053655021.db2.gz NLEUWDHKYCCOAO-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(OC)c2)cc1)C(C)C ZINC001343476671 1053795703 /nfs/dbraw/zinc/79/57/03/1053795703.db2.gz GSZIZBPAGYKUAX-OAQYLSRUSA-N 1 0 393.487 3.887 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001343557680 1053878534 /nfs/dbraw/zinc/87/85/34/1053878534.db2.gz LJWRGMMYIHSXKF-HMXCVIKNSA-N 1 0 392.551 3.519 20 30 GHEDRO CC(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCN(Cc2ccccc2Cl)CC1 ZINC001343559274 1053880082 /nfs/dbraw/zinc/88/00/82/1053880082.db2.gz SBECLDKWOJOLIR-MSOLQXFVSA-N 1 0 398.942 3.537 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001343568193 1053891520 /nfs/dbraw/zinc/89/15/20/1053891520.db2.gz HLFQBEGCVQJIRB-QGZVFWFLSA-N 1 0 381.515 3.610 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001343607325 1053922899 /nfs/dbraw/zinc/92/28/99/1053922899.db2.gz VURQFCNUAFRACI-OALUTQOASA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001344002966 1054176807 /nfs/dbraw/zinc/17/68/07/1054176807.db2.gz DEDMWCOFCJTHSJ-IBGZPJMESA-N 1 0 382.556 3.701 20 30 GHEDRO C=CCn1cnn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1=S ZINC001319751833 1055444477 /nfs/dbraw/zinc/44/44/77/1055444477.db2.gz YHLJWGHXEQVTPI-VQTJNVASSA-N 1 0 383.565 3.544 20 30 GHEDRO C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C ZINC001319996072 1055586531 /nfs/dbraw/zinc/58/65/31/1055586531.db2.gz SSUFPLOOZDECOR-MRXNPFEDSA-N 1 0 397.523 3.694 20 30 GHEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001320305777 1055746029 /nfs/dbraw/zinc/74/60/29/1055746029.db2.gz FULIBQDNSMDUBM-RADWXHQJSA-N 1 0 388.508 3.680 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001320319586 1055752275 /nfs/dbraw/zinc/75/22/75/1055752275.db2.gz HQRRHTOAQKQSMH-WOIUINJBSA-N 1 0 385.552 3.651 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](CO)CC3CCOCC3)c2)c1 ZINC001320865317 1055992307 /nfs/dbraw/zinc/99/23/07/1055992307.db2.gz ZIINVBCDCQAFDX-HSZRJFAPSA-N 1 0 394.515 3.652 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001300443403 1056103813 /nfs/dbraw/zinc/10/38/13/1056103813.db2.gz GIOODFXRCAFMHJ-SFHVURJKSA-N 1 0 393.491 3.736 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CC2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001300579682 1056531577 /nfs/dbraw/zinc/53/15/77/1056531577.db2.gz VPHUBAALUPVWHH-UHFFFAOYSA-N 1 0 389.547 3.509 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001322287464 1056610253 /nfs/dbraw/zinc/61/02/53/1056610253.db2.gz ZNBPTOZFSMSIOJ-MJGOQNOKSA-N 1 0 383.471 3.821 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300613680 1056659042 /nfs/dbraw/zinc/65/90/42/1056659042.db2.gz MROBEEHCULNCHN-BGYRXZFFSA-N 1 0 379.552 3.773 20 30 GHEDRO C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300618891 1056684375 /nfs/dbraw/zinc/68/43/75/1056684375.db2.gz OLUKIYHFRGBQMJ-SFHVURJKSA-N 1 0 390.535 3.618 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001300622274 1056698655 /nfs/dbraw/zinc/69/86/55/1056698655.db2.gz UNPWWYVTGMFTFA-UHFFFAOYSA-N 1 0 391.563 3.917 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC001322525299 1056743213 /nfs/dbraw/zinc/74/32/13/1056743213.db2.gz REJQDVFFOWTBNN-KRWDZBQOSA-N 1 0 379.464 3.599 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)Nc3ccc(F)c(F)c3)CC2)c1 ZINC001200706082 1056776230 /nfs/dbraw/zinc/77/62/30/1056776230.db2.gz LCFXMGLHOXLOKS-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO CN1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001323999533 1057052724 /nfs/dbraw/zinc/05/27/24/1057052724.db2.gz MWTIECIXSFQTAL-XZOQPEGZSA-N 1 0 378.495 3.701 20 30 GHEDRO COc1ccc(C(C)C)cc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000848509215 1057140592 /nfs/dbraw/zinc/14/05/92/1057140592.db2.gz HMPVZQKKNZOGKS-UHFFFAOYSA-N 1 0 397.519 3.617 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H](CC)C1 ZINC001355864466 1057298177 /nfs/dbraw/zinc/29/81/77/1057298177.db2.gz WRSNYGWDVKTCTK-AZUAARDMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001355864586 1057298871 /nfs/dbraw/zinc/29/88/71/1057298871.db2.gz XJZGVBCUZHHPDP-CSNJMZFVSA-N 1 0 393.526 3.894 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001355900162 1057309251 /nfs/dbraw/zinc/30/92/51/1057309251.db2.gz JXMZPAFWVMBPIR-IBGZPJMESA-N 1 0 378.524 3.502 20 30 GHEDRO C=CCC[C@@H](C(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC001325882499 1057379533 /nfs/dbraw/zinc/37/95/33/1057379533.db2.gz XWKJTXIZIGJYHD-JOCHJYFZSA-N 1 0 377.532 3.805 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)cc2)cc1)C(C)C ZINC001356086532 1057383690 /nfs/dbraw/zinc/38/36/90/1057383690.db2.gz GDHPDSGZSVGSDK-OAQYLSRUSA-N 1 0 393.487 3.887 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1[C@@]1(C)CCC=CO1 ZINC001356238780 1057443129 /nfs/dbraw/zinc/44/31/29/1057443129.db2.gz LBNDKBZTAOWNMR-KKLQWCBXSA-N 1 0 397.567 3.847 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1OC ZINC001440212173 1058466512 /nfs/dbraw/zinc/46/65/12/1058466512.db2.gz QYPXAVHMISORLB-KCOZCGQNSA-N 1 0 396.531 3.608 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001338680022 1058728415 /nfs/dbraw/zinc/72/84/15/1058728415.db2.gz YYMOVKHRZKWSTP-OAHLLOKOSA-N 1 0 386.569 3.633 20 30 GHEDRO C=CCn1c(-c2cc(-c3ccco3)on2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001338893079 1058863045 /nfs/dbraw/zinc/86/30/45/1058863045.db2.gz RUAGNLJLYXNICA-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO C=CCn1c([C@H](O)CC(C)(C)C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001339130020 1058972968 /nfs/dbraw/zinc/97/29/68/1058972968.db2.gz HMESTUGQWOOHLE-GOSISDBHSA-N 1 0 389.588 3.779 20 30 GHEDRO C=CCn1c(-c2csc(C)n2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001339184080 1058997587 /nfs/dbraw/zinc/99/75/87/1058997587.db2.gz IJYGWAAIZUZJQM-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001339249934 1059040325 /nfs/dbraw/zinc/04/03/25/1059040325.db2.gz KWUMYZFAFNJLPL-NRDMVMEKSA-N 1 0 399.583 3.795 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N3CCC[C@@H](CC#N)C3)n2C)C1 ZINC001339284139 1059067208 /nfs/dbraw/zinc/06/72/08/1059067208.db2.gz SRNLMBREABTGNO-KGVIQGDOSA-N 1 0 396.514 3.577 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001339414354 1059190125 /nfs/dbraw/zinc/19/01/25/1059190125.db2.gz USUWCJFPAYIKEN-UHFFFAOYSA-N 1 0 393.626 3.788 20 30 GHEDRO CCn1c(N2CCC(CC)([NH+]3CCCCC3)CC2)nnc1C1(C#N)CCCC1 ZINC001339513797 1059268233 /nfs/dbraw/zinc/26/82/33/1059268233.db2.gz LOVZHOCNOCYPHS-UHFFFAOYSA-N 1 0 384.572 3.868 20 30 GHEDRO C=CCn1c([C@H](CC)OCC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001339621516 1059351486 /nfs/dbraw/zinc/35/14/86/1059351486.db2.gz HWZKBIGLSILRJW-SFHVURJKSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339799147 1059483130 /nfs/dbraw/zinc/48/31/30/1059483130.db2.gz WCDLAVFFKYKTTQ-RBUKOAKNSA-N 1 0 389.588 3.692 20 30 GHEDRO N#CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1 ZINC001445888073 1059647888 /nfs/dbraw/zinc/64/78/88/1059647888.db2.gz XFJNSPPRJBWCEJ-VQTJNVASSA-N 1 0 397.906 3.824 20 30 GHEDRO C=CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N(C)CC(F)(F)F ZINC001340255248 1059796109 /nfs/dbraw/zinc/79/61/09/1059796109.db2.gz ZMFHOPPJSJAYGR-UHFFFAOYSA-N 1 0 394.445 3.550 20 30 GHEDRO C=CCn1c([C@H](C)[C@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001340302441 1059840580 /nfs/dbraw/zinc/84/05/80/1059840580.db2.gz OAZLVESKZHVQQB-RTBURBONSA-N 1 0 389.588 3.573 20 30 GHEDRO C=CCn1c([C@H](C)[C@@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001340302438 1059840911 /nfs/dbraw/zinc/84/09/11/1059840911.db2.gz OAZLVESKZHVQQB-MOPGFXCFSA-N 1 0 389.588 3.573 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340431592 1059928192 /nfs/dbraw/zinc/92/81/92/1059928192.db2.gz UHFIDLDUYCZDIP-WLRLJWMZSA-N 1 0 399.583 3.590 20 30 GHEDRO C=CCn1c(-c2c[nH]c3cccnc23)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001340440439 1059931018 /nfs/dbraw/zinc/93/10/18/1059931018.db2.gz CSMNSUSZAISOGT-UHFFFAOYSA-N 1 0 393.539 3.564 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001340522003 1059961657 /nfs/dbraw/zinc/96/16/57/1059961657.db2.gz ZJAAEZLYAOVQLV-FQEVSTJZSA-N 1 0 384.572 3.649 20 30 GHEDRO CC[C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001447502894 1059973724 /nfs/dbraw/zinc/97/37/24/1059973724.db2.gz ZHPZXTONGXTXCC-WMZHIEFXSA-N 1 0 375.516 3.860 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](CC)CC[C@H]1C ZINC001340776710 1060116966 /nfs/dbraw/zinc/11/69/66/1060116966.db2.gz FSTDNTBXNIGZAK-QWFCFKBJSA-N 1 0 387.572 3.795 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H]3OCCC[C@H]3C2)c1C#N ZINC001340898390 1060232738 /nfs/dbraw/zinc/23/27/38/1060232738.db2.gz OXCJPYJTPVVPAD-PXNSSMCTSA-N 1 0 384.524 3.531 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001448872488 1060287960 /nfs/dbraw/zinc/28/79/60/1060287960.db2.gz KFWJJNKHQFRZIR-UHFFFAOYSA-N 1 0 391.256 3.630 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC001448884408 1060291679 /nfs/dbraw/zinc/29/16/79/1060291679.db2.gz RFJAYOZZTDJLKH-UHFFFAOYSA-N 1 0 384.524 3.905 20 30 GHEDRO C[C@@H](c1ccc(NC(=O)N(C)Cc2cc(C#N)cs2)cc1)N1CCOCC1 ZINC001341006728 1060326299 /nfs/dbraw/zinc/32/62/99/1060326299.db2.gz FCKPYUKDLQGTBA-HNNXBMFYSA-N 1 0 384.505 3.677 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001451331007 1060763787 /nfs/dbraw/zinc/76/37/87/1060763787.db2.gz SECJVDFNDDAUOC-HSZRJFAPSA-N 1 0 391.559 3.811 20 30 GHEDRO C=CCn1c(N2CCC[C@@H]([NH+]3CCCC3)C2)nnc1C(C)(C)COC(C)(C)C ZINC001342020174 1061000581 /nfs/dbraw/zinc/00/05/81/1061000581.db2.gz NBYPPTXKORNNLS-GOSISDBHSA-N 1 0 389.588 3.621 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001342090425 1061051398 /nfs/dbraw/zinc/05/13/98/1061051398.db2.gz UUNKSELSNAXYQA-PMACEKPBSA-N 1 0 384.572 3.791 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2OCCCC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342151273 1061088699 /nfs/dbraw/zinc/08/86/99/1061088699.db2.gz ZPEUMAVLFPSAAQ-OALUTQOASA-N 1 0 389.588 3.837 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342173485 1061105318 /nfs/dbraw/zinc/10/53/18/1061105318.db2.gz TVCZWINZDIPIEJ-PKOBYXMFSA-N 1 0 396.539 3.579 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(COC)o2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342186145 1061115208 /nfs/dbraw/zinc/11/52/08/1061115208.db2.gz PYWFLIYXNWQPLH-UHFFFAOYSA-N 1 0 399.539 3.715 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3ocnc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001342200898 1061128547 /nfs/dbraw/zinc/12/85/47/1061128547.db2.gz IWDAJAFDQSCLQF-KRWDZBQOSA-N 1 0 394.523 3.831 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342218225 1061143950 /nfs/dbraw/zinc/14/39/50/1061143950.db2.gz SXIRZHSKMVMVIH-LNLFQRSKSA-N 1 0 389.613 3.601 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC001345955135 1061241048 /nfs/dbraw/zinc/24/10/48/1061241048.db2.gz CFVLDKUCRBYVEY-BLVKFPJESA-N 1 0 392.286 3.905 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001346461368 1061578472 /nfs/dbraw/zinc/57/84/72/1061578472.db2.gz LHYIRCKERVBOHJ-AWEZNQCLSA-N 1 0 392.960 3.696 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC001455646428 1062246066 /nfs/dbraw/zinc/24/60/66/1062246066.db2.gz DXWYUZZBWXQZQO-UHFFFAOYSA-N 1 0 379.220 3.592 20 30 GHEDRO CC[C@@H](Oc1cccc(C)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001435081823 1062280738 /nfs/dbraw/zinc/28/07/38/1062280738.db2.gz SXKLZBWDBIGXJZ-JOCHJYFZSA-N 1 0 379.504 3.615 20 30 GHEDRO CC(C)Cn1c(CCCCC#N)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001347587673 1062512003 /nfs/dbraw/zinc/51/20/03/1062512003.db2.gz RXJVYANLLFAUHQ-UYAOXDASSA-N 1 0 384.572 3.624 20 30 GHEDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001456866131 1062901607 /nfs/dbraw/zinc/90/16/07/1062901607.db2.gz OPMNFSGHKMCJID-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO CCc1ccc([C@H](C#N)N(C)C(=O)CCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001436559909 1063530318 /nfs/dbraw/zinc/53/03/18/1063530318.db2.gz PQHCYZBCKLSHAS-QHCPKHFHSA-N 1 0 393.531 3.845 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cc(NCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001458097001 1063561639 /nfs/dbraw/zinc/56/16/39/1063561639.db2.gz LUSWSMMRIRQXFM-UHFFFAOYSA-N 1 0 389.425 3.596 20 30 GHEDRO C#CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)CCCCC1 ZINC001436849571 1063674142 /nfs/dbraw/zinc/67/41/42/1063674142.db2.gz YFJPLIYBKCCGRM-FGZHOGPDSA-N 1 0 382.548 3.614 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(Br)c(C#N)n1)c1ccccc1 ZINC001437010054 1063735754 /nfs/dbraw/zinc/73/57/54/1063735754.db2.gz RLSKFZSTTIVNBR-KRWDZBQOSA-N 1 0 387.281 3.737 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)cc1 ZINC001437020758 1063740251 /nfs/dbraw/zinc/74/02/51/1063740251.db2.gz NUTLXQDGOZWBIJ-BJKOFHAPSA-N 1 0 388.511 3.970 20 30 GHEDRO C[N@@H+]1CCN(c2cc(Br)c(C#N)cc2F)C[C@@H]1Cc1ccccc1 ZINC001458365929 1063765653 /nfs/dbraw/zinc/76/56/53/1063765653.db2.gz FORXJYZUPXHCRL-INIZCTEOSA-N 1 0 388.284 3.823 20 30 GHEDRO CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC001350055925 1063975096 /nfs/dbraw/zinc/97/50/96/1063975096.db2.gz CORKTMQCAXCFAV-PMACEKPBSA-N 1 0 389.503 3.598 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](CC#N)c3ccccc3)c(C)c2)CC1 ZINC001350123584 1063996521 /nfs/dbraw/zinc/99/65/21/1063996521.db2.gz MTENHWPPRFXKSO-OAQYLSRUSA-N 1 0 376.504 3.773 20 30 GHEDRO CN(CCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC001459416636 1064091735 /nfs/dbraw/zinc/09/17/35/1064091735.db2.gz KXBUFGQHLMDDNE-UHFFFAOYSA-N 1 0 385.515 3.755 20 30 GHEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC001459526629 1064121098 /nfs/dbraw/zinc/12/10/98/1064121098.db2.gz FCGBGDHDUQDXFL-OFNKIYASSA-N 1 0 396.579 3.542 20 30 GHEDRO CC(C)(C)[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC001459676016 1064164258 /nfs/dbraw/zinc/16/42/58/1064164258.db2.gz GSZOVGZSOHVHRW-FQEVSTJZSA-N 1 0 378.447 3.802 20 30 GHEDRO CC[C@@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)c1cccc(C#N)c1 ZINC001459697522 1064175714 /nfs/dbraw/zinc/17/57/14/1064175714.db2.gz WLSBCCPCINQBBB-FOIQADDNSA-N 1 0 376.460 3.541 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC001459979799 1064315723 /nfs/dbraw/zinc/31/57/23/1064315723.db2.gz KSQYICLTJKRMJZ-RXVVDRJESA-N 1 0 396.478 3.934 20 30 GHEDRO CCOc1ccccc1CN1CC[N@H+](CCCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC001460007501 1064339936 /nfs/dbraw/zinc/33/99/36/1064339936.db2.gz RJOZXELCBQJUQK-HXUWFJFHSA-N 1 0 393.531 3.932 20 30 GHEDRO CCCN(C(=O)Nc1ccn(CCC#N)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001351332098 1064385815 /nfs/dbraw/zinc/38/58/15/1064385815.db2.gz DIVMUQCKSYPDJV-HXUWFJFHSA-N 1 0 394.523 3.705 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(SCC#N)c3)cc2)CC1 ZINC001351631950 1064541604 /nfs/dbraw/zinc/54/16/04/1064541604.db2.gz VYGCCGLTLBOVLC-UHFFFAOYSA-N 1 0 380.517 3.696 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(c2ccc(C)c(Br)c2)C(C)C)CC1 ZINC000847114891 1064722221 /nfs/dbraw/zinc/72/22/21/1064722221.db2.gz KBMKBJBKMJSCQG-UHFFFAOYSA-N 1 0 377.326 3.844 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001351993047 1064751332 /nfs/dbraw/zinc/75/13/32/1064751332.db2.gz PKEMQLFFURVRTQ-QZTJIDSGSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCn1c([C@@H](OC)c2cccs2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001352161180 1064895577 /nfs/dbraw/zinc/89/55/77/1064895577.db2.gz AOZSFBBFOBHJRE-KRWDZBQOSA-N 1 0 389.569 3.572 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(CNc2ncccc2C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC001464191172 1064899962 /nfs/dbraw/zinc/89/99/62/1064899962.db2.gz AKRRONKAEBSAGX-QZTJIDSGSA-N 1 0 391.519 3.558 20 30 GHEDRO C=C(CC(C)C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001464419464 1064997764 /nfs/dbraw/zinc/99/77/64/1064997764.db2.gz PSMZMADNMFVJMV-UHFFFAOYSA-N 1 0 378.520 3.945 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847344837 1065097437 /nfs/dbraw/zinc/09/74/37/1065097437.db2.gz WUBDRGUQDGHZOM-OGWOLHLISA-N 1 0 377.891 3.527 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000847364280 1065132215 /nfs/dbraw/zinc/13/22/15/1065132215.db2.gz KIKLPTSBUJAAJC-GOSISDBHSA-N 1 0 391.515 3.526 20 30 GHEDRO CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001352635879 1065194058 /nfs/dbraw/zinc/19/40/58/1065194058.db2.gz ANEPACOGXCJFSU-OFNKIYASSA-N 1 0 392.551 3.808 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC001465527219 1065690538 /nfs/dbraw/zinc/69/05/38/1065690538.db2.gz ILZKQRNMHODYPC-UHFFFAOYSA-N 1 0 394.466 3.991 20 30 GHEDRO Cc1ccc(NC(=O)NC(C)(C)Cc2ccc(C#N)cc2)c(OCC[NH+](C)C)c1 ZINC001465734807 1065819297 /nfs/dbraw/zinc/81/92/97/1065819297.db2.gz KDJHPVWVALWKJJ-UHFFFAOYSA-N 1 0 394.519 3.950 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC001465779740 1065849590 /nfs/dbraw/zinc/84/95/90/1065849590.db2.gz RSUULNMCLBNUSO-HRAATJIYSA-N 1 0 383.467 3.959 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001300309281 1065966369 /nfs/dbraw/zinc/96/63/69/1065966369.db2.gz GMORLKVHSNLMOO-LJQANCHMSA-N 1 0 381.568 3.825 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2CC23CCSCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847746686 1066014706 /nfs/dbraw/zinc/01/47/06/1066014706.db2.gz PSTZYVSTVSAVPB-IBGZPJMESA-N 1 0 384.545 3.869 20 30 GHEDRO Cc1ccc(OCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000847745150 1066015125 /nfs/dbraw/zinc/01/51/25/1066015125.db2.gz CAGJJHDPDHHYRR-UHFFFAOYSA-N 1 0 378.472 3.723 20 30 GHEDRO Cc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000847745993 1066020688 /nfs/dbraw/zinc/02/06/88/1066020688.db2.gz VCDRMBMSTDJFPF-UHFFFAOYSA-N 1 0 393.443 3.866 20 30 GHEDRO Cc1c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000847747432 1066022245 /nfs/dbraw/zinc/02/22/45/1066022245.db2.gz HSFNEQMAGHNRBU-UHFFFAOYSA-N 1 0 380.492 3.735 20 30 GHEDRO CCC[C@@H]1C[C@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000847747507 1066023053 /nfs/dbraw/zinc/02/30/53/1066023053.db2.gz KDZQPVAKLDGQTO-NHCUHLMSSA-N 1 0 384.520 3.931 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001466207534 1066034687 /nfs/dbraw/zinc/03/46/87/1066034687.db2.gz PRYMMEJTBOUWHL-UHFFFAOYSA-N 1 0 377.488 3.875 20 30 GHEDRO COc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000847748871 1066037559 /nfs/dbraw/zinc/03/75/59/1066037559.db2.gz JPODMPPWXWFPIA-UHFFFAOYSA-N 1 0 382.435 3.797 20 30 GHEDRO N#CC1(COC(=O)[C@H]2CCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847748988 1066037817 /nfs/dbraw/zinc/03/78/17/1066037817.db2.gz LARICLBZAPERTB-NRFANRHFSA-N 1 0 390.483 3.902 20 30 GHEDRO CCCc1c(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC001466215472 1066039567 /nfs/dbraw/zinc/03/95/67/1066039567.db2.gz CLIJJUBBXUDMPV-KRWDZBQOSA-N 1 0 394.523 3.691 20 30 GHEDRO CCCc1c(NC(=O)N[C@H](C)CC[NH+](CC)CC)cnn1-c1cccc(C#N)c1 ZINC001466216314 1066040444 /nfs/dbraw/zinc/04/04/44/1066040444.db2.gz PCHUAEWLCIPQEJ-QGZVFWFLSA-N 1 0 396.539 3.938 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001466270599 1066066282 /nfs/dbraw/zinc/06/62/82/1066066282.db2.gz VFPDDTYFIBGYGT-JOCHJYFZSA-N 1 0 397.950 3.691 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2scc(C)c2C#N)[NH+]2CCCC2)c1 ZINC001466472940 1066167363 /nfs/dbraw/zinc/16/73/63/1066167363.db2.gz XRKDDMFARFDHRP-SFHVURJKSA-N 1 0 384.505 3.895 20 30 GHEDRO C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001300394765 1066206167 /nfs/dbraw/zinc/20/61/67/1066206167.db2.gz WNYKNWBYNQGMNJ-LJQANCHMSA-N 1 0 395.551 3.535 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(F)cc1F ZINC001467185357 1067132973 /nfs/dbraw/zinc/13/29/73/1067132973.db2.gz IVKZSNTXCHVGEG-INIZCTEOSA-N 1 0 376.432 3.857 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[N@H+](C)C(C)C)cc1 ZINC001546162989 1067328041 /nfs/dbraw/zinc/32/80/41/1067328041.db2.gz DCVWDMRAQKDNQB-SFHVURJKSA-N 1 0 382.556 3.976 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001467576604 1067368052 /nfs/dbraw/zinc/36/80/52/1067368052.db2.gz CIHXFSOYVGPNMH-HXUWFJFHSA-N 1 0 380.492 3.562 20 30 GHEDRO C=C(Br)CNC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001477666746 1078516785 /nfs/dbraw/zinc/51/67/85/1078516785.db2.gz MJKPNASGAXNBIN-ZDUSSCGKSA-N 1 0 394.235 3.516 20 30 GHEDRO C=C(Br)CNC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001477666745 1078516933 /nfs/dbraw/zinc/51/69/33/1078516933.db2.gz MJKPNASGAXNBIN-CYBMUJFWSA-N 1 0 394.235 3.516 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)C(C)C ZINC001467659998 1067404172 /nfs/dbraw/zinc/40/41/72/1067404172.db2.gz DXQMXPZHLLSLMK-SIKLNZKXSA-N 1 0 384.568 3.735 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN([C@H](C)c2ccccc2)CC1)C(C)C ZINC001467660762 1067404915 /nfs/dbraw/zinc/40/49/15/1067404915.db2.gz YKYVWRSEXPHNMZ-FYYLOGMGSA-N 1 0 398.595 3.773 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC001467910027 1067524350 /nfs/dbraw/zinc/52/43/50/1067524350.db2.gz VNGDJOVKEZPHPJ-UHFFFAOYSA-N 1 0 393.453 3.763 20 30 GHEDRO CSc1ccc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1C#N ZINC001467986995 1067555731 /nfs/dbraw/zinc/55/57/31/1067555731.db2.gz QCBNPEGFJAKROC-UHFFFAOYSA-N 1 0 382.533 3.601 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CC[NH+](C(C)C)C(C)C ZINC001358876061 1067590746 /nfs/dbraw/zinc/59/07/46/1067590746.db2.gz BKUVCIGJZVGVLO-SFHVURJKSA-N 1 0 383.540 3.530 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001358879515 1067592062 /nfs/dbraw/zinc/59/20/62/1067592062.db2.gz SOPMNTBCRBVKPS-MRXNPFEDSA-N 1 0 385.943 3.931 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001358881074 1067593016 /nfs/dbraw/zinc/59/30/16/1067593016.db2.gz YRSJRGRGVJNDJT-MOPGFXCFSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CC(C)(C)C[NH+]1CCCC1 ZINC001358882528 1067594206 /nfs/dbraw/zinc/59/42/06/1067594206.db2.gz BUSUMBSRIFWSTK-GOSISDBHSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001358886303 1067597305 /nfs/dbraw/zinc/59/73/05/1067597305.db2.gz BGZXKXAFXTWYRQ-RTBURBONSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001358893127 1067599716 /nfs/dbraw/zinc/59/97/16/1067599716.db2.gz OCUMOPPHGXDXPV-UNMCSNQZSA-N 1 0 393.579 3.900 20 30 GHEDRO C#CCCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001358909235 1067608149 /nfs/dbraw/zinc/60/81/49/1067608149.db2.gz YNHIXMAPOINQJO-QZTJIDSGSA-N 1 0 383.515 3.807 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[NH+]1CCCCC1 ZINC001358942394 1067623289 /nfs/dbraw/zinc/62/32/89/1067623289.db2.gz TVRHFTXWXJKJNO-KRWDZBQOSA-N 1 0 397.592 3.687 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001358949435 1067626805 /nfs/dbraw/zinc/62/68/05/1067626805.db2.gz BUIXLULUUHXYEI-QFIPXVFZSA-N 1 0 393.579 3.848 20 30 GHEDRO C#CCN(CC#C)c1nnc([C@@H](C)CC)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358968824 1067630437 /nfs/dbraw/zinc/63/04/37/1067630437.db2.gz ADMWLTORPMGCFN-RBUKOAKNSA-N 1 0 395.576 3.763 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001358984626 1067635362 /nfs/dbraw/zinc/63/53/62/1067635362.db2.gz CCWAFSKJRXMDIJ-RBBKRZOGSA-N 1 0 391.563 3.866 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCC[N@H+]1CCC ZINC001358993931 1067639765 /nfs/dbraw/zinc/63/97/65/1067639765.db2.gz ACIOZTSLTLECNE-HXUWFJFHSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359006330 1067648847 /nfs/dbraw/zinc/64/88/47/1067648847.db2.gz PZUNNXVMGNEGMW-GOSISDBHSA-N 1 0 383.515 3.664 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001359011436 1067652359 /nfs/dbraw/zinc/65/23/59/1067652359.db2.gz XNGGMEYFDRPTSA-FQEVSTJZSA-N 1 0 397.542 3.732 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359016562 1067655313 /nfs/dbraw/zinc/65/53/13/1067655313.db2.gz GQAREZSJUKPLEE-UHFFFAOYSA-N 1 0 397.542 3.884 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC001468328267 1067687716 /nfs/dbraw/zinc/68/77/16/1067687716.db2.gz NZYLFOMOPAQCPQ-FCHUYYIVSA-N 1 0 376.475 3.919 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC[NH+]1CCSCC1 ZINC001359110410 1067689398 /nfs/dbraw/zinc/68/93/98/1067689398.db2.gz LYRZVJGCKSPPBF-UHFFFAOYSA-N 1 0 385.581 3.705 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001359111525 1067691282 /nfs/dbraw/zinc/69/12/82/1067691282.db2.gz DZBHFUXSEVRXLE-HXUWFJFHSA-N 1 0 383.540 3.869 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359115127 1067693677 /nfs/dbraw/zinc/69/36/77/1067693677.db2.gz LJYJBFWADLBSCE-OAQYLSRUSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359120054 1067696570 /nfs/dbraw/zinc/69/65/70/1067696570.db2.gz DHAYKLRGUGVSJY-QGZVFWFLSA-N 1 0 383.515 3.971 20 30 GHEDRO N#C[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001477788699 1078566442 /nfs/dbraw/zinc/56/64/42/1078566442.db2.gz PXJUREOUJRQIGR-QFIPXVFZSA-N 1 0 382.552 3.666 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359162983 1067718298 /nfs/dbraw/zinc/71/82/98/1067718298.db2.gz MVXNLDFCSXISCC-PMACEKPBSA-N 1 0 394.567 3.865 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001359166554 1067720897 /nfs/dbraw/zinc/72/08/97/1067720897.db2.gz YARXFQGLCXDXBD-UHFFFAOYSA-N 1 0 385.531 3.752 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001359180293 1067741049 /nfs/dbraw/zinc/74/10/49/1067741049.db2.gz ZGZIRAIEAGPBMR-UHFFFAOYSA-N 1 0 385.531 3.751 20 30 GHEDRO C=CCCCCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359202812 1067773729 /nfs/dbraw/zinc/77/37/29/1067773729.db2.gz CBTPKWKZGJCCQJ-IBGZPJMESA-N 1 0 389.588 3.697 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001359237974 1067845723 /nfs/dbraw/zinc/84/57/23/1067845723.db2.gz URUBQDNOFACBPA-UHFFFAOYSA-N 1 0 394.498 3.542 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCCC[C@H]1CC)C1CC1 ZINC001359250099 1067900246 /nfs/dbraw/zinc/90/02/46/1067900246.db2.gz BFWLJSASOTXRPG-QUCCMNQESA-N 1 0 387.572 3.939 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849580891 1067913268 /nfs/dbraw/zinc/91/32/68/1067913268.db2.gz CVKNLSJYHRBRNG-LEWJYISDSA-N 1 0 380.536 3.946 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(CC)nnc1N1C[C@@H](C)OC(C)(C)C1)C(C)C ZINC001359265761 1067928906 /nfs/dbraw/zinc/92/89/06/1067928906.db2.gz LQMWQVQHTHQPHL-RTBURBONSA-N 1 0 389.588 3.543 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(CC)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C ZINC001359265759 1067928925 /nfs/dbraw/zinc/92/89/25/1067928925.db2.gz LQMWQVQHTHQPHL-OALUTQOASA-N 1 0 389.588 3.543 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359269716 1067935277 /nfs/dbraw/zinc/93/52/77/1067935277.db2.gz MVRMFUMNLPPQGX-MOPGFXCFSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001359273254 1067940804 /nfs/dbraw/zinc/94/08/04/1067940804.db2.gz UKPMTDZCJJCTRG-SFHVURJKSA-N 1 0 383.515 3.528 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359475492 1068070692 /nfs/dbraw/zinc/07/06/92/1068070692.db2.gz LSDOVNMJZMBIBX-RBUKOAKNSA-N 1 0 386.588 3.871 20 30 GHEDRO CC(C)c1nnc(N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1CC1([NH+](C)C)CCC1 ZINC001359726997 1068157903 /nfs/dbraw/zinc/15/79/03/1068157903.db2.gz DBPJIIYXPASOOQ-UXHICEINSA-N 1 0 392.551 3.629 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCCC1 ZINC001359734578 1068162491 /nfs/dbraw/zinc/16/24/91/1068162491.db2.gz XJRHVPWZUAGRTA-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359778686 1068181375 /nfs/dbraw/zinc/18/13/75/1068181375.db2.gz PVPWPNHPLMAKAN-AZUAARDMSA-N 1 0 386.588 3.870 20 30 GHEDRO COc1ccc([C@@H](NC(=O)NCC#CC[NH+](C)C)c2ccccc2Cl)c(C)c1 ZINC001478005662 1078667084 /nfs/dbraw/zinc/66/70/84/1078667084.db2.gz VGQJBEYYVPGEFB-OAQYLSRUSA-N 1 0 399.922 3.611 20 30 GHEDRO C=CC[C@H]1CCCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001469579411 1068236115 /nfs/dbraw/zinc/23/61/15/1068236115.db2.gz KTFMXRACHQPPDB-NRFANRHFSA-N 1 0 385.552 3.701 20 30 GHEDRO CCCN(C(=O)COc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360128647 1068377161 /nfs/dbraw/zinc/37/71/61/1068377161.db2.gz BUJNDPTVEZDYDA-JOCHJYFZSA-N 1 0 391.515 3.840 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CC1CC1)CC1CCC1)[NH+](C)C ZINC001360541338 1068550703 /nfs/dbraw/zinc/55/07/03/1068550703.db2.gz OWNOIILEWAMNDX-QGZVFWFLSA-N 1 0 392.551 3.783 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCc2c(CC#N)cccc2C1)[NH+](C)C ZINC001470095253 1068570372 /nfs/dbraw/zinc/57/03/72/1068570372.db2.gz QQKCGAZHCYZNDW-JPYJTQIMSA-N 1 0 390.531 3.820 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001478235079 1078777228 /nfs/dbraw/zinc/77/72/28/1078777228.db2.gz XOFMQEGZNXNFBQ-FUHWJXTLSA-N 1 0 381.442 3.596 20 30 GHEDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC001460125353 1068794922 /nfs/dbraw/zinc/79/49/22/1068794922.db2.gz MBMUBKXGQWIYJK-XLIONFOSSA-N 1 0 391.581 3.706 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC001460364714 1068943991 /nfs/dbraw/zinc/94/39/91/1068943991.db2.gz RJIMCTABRKWKGR-ZDUSSCGKSA-N 1 0 384.261 3.518 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@]2(CC)Cc2ccccc2)c1 ZINC001460414104 1068957219 /nfs/dbraw/zinc/95/72/19/1068957219.db2.gz ZIGMJKSRHZYTTD-DEOSSOPVSA-N 1 0 389.499 3.803 20 30 GHEDRO Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460441773 1068966444 /nfs/dbraw/zinc/96/64/44/1068966444.db2.gz BIUTZFZIMVXIGW-UHFFFAOYSA-N 1 0 399.498 3.903 20 30 GHEDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)C ZINC001460833295 1069208144 /nfs/dbraw/zinc/20/81/44/1069208144.db2.gz FXOAZJSJPZMJLZ-PBHICJAKSA-N 1 0 391.537 3.587 20 30 GHEDRO COc1ccc(C[C@](C)(CO)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001460855974 1069227857 /nfs/dbraw/zinc/22/78/57/1069227857.db2.gz DUTFXSMHZSCILF-HXUWFJFHSA-N 1 0 377.406 3.649 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](c2ccccc2)CC1 ZINC001460952024 1069294013 /nfs/dbraw/zinc/29/40/13/1069294013.db2.gz SLNWBPGPBARKII-DNVCBOLYSA-N 1 0 395.528 3.899 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC001470664034 1072676063 /nfs/dbraw/zinc/67/60/63/1072676063.db2.gz YQEHZAYJBDCNLS-HSZRJFAPSA-N 1 0 375.516 3.711 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)c1cccc(CC#N)c1)c1cccc(C(F)(F)F)c1 ZINC001470920498 1072816716 /nfs/dbraw/zinc/81/67/16/1072816716.db2.gz IXWIRHUHOCRGQN-SFHVURJKSA-N 1 0 375.394 3.804 20 30 GHEDRO Cc1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001471298506 1073004528 /nfs/dbraw/zinc/00/45/28/1073004528.db2.gz MLXYGODPZHMIHI-MOPGFXCFSA-N 1 0 376.504 3.671 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CCC(F)(F)CC1 ZINC001471562836 1073135732 /nfs/dbraw/zinc/13/57/32/1073135732.db2.gz NDVKHYJRCWHZJF-UHFFFAOYSA-N 1 0 392.494 3.847 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC001472573086 1073557505 /nfs/dbraw/zinc/55/75/05/1073557505.db2.gz XRQCYECIJGGYQQ-ZCNNSNEGSA-N 1 0 397.316 3.933 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC001472660047 1073601326 /nfs/dbraw/zinc/60/13/26/1073601326.db2.gz KDGAKMWWZNQXFO-CYBMUJFWSA-N 1 0 376.426 3.870 20 30 GHEDRO N#Cc1cc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001472906111 1073720578 /nfs/dbraw/zinc/72/05/78/1073720578.db2.gz XJVRCBRUOBOYOJ-IBGZPJMESA-N 1 0 393.834 3.819 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC001473156565 1073814279 /nfs/dbraw/zinc/81/42/79/1073814279.db2.gz IMRUIYFOPRSRGX-KRWDZBQOSA-N 1 0 397.469 3.654 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001473211711 1073863413 /nfs/dbraw/zinc/86/34/13/1073863413.db2.gz WIAIJUGQBILIHA-VTLFHKLASA-N 1 0 383.536 3.605 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(C)(C)C ZINC001473335777 1073926159 /nfs/dbraw/zinc/92/61/59/1073926159.db2.gz KLZGDSDVNXNGDX-UNMCSNQZSA-N 1 0 396.531 3.998 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1cccc(OCc2ccccc2)c1 ZINC001473442625 1073965094 /nfs/dbraw/zinc/96/50/94/1073965094.db2.gz KQZMQRQMKJEELV-INIZCTEOSA-N 1 0 399.454 3.736 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)cc1 ZINC001473456282 1073973787 /nfs/dbraw/zinc/97/37/87/1073973787.db2.gz ZGKXHMXPYOQGMW-HXUWFJFHSA-N 1 0 378.472 3.549 20 30 GHEDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001473581118 1074028556 /nfs/dbraw/zinc/02/85/56/1074028556.db2.gz IJUPDFDZXUNTMN-XMMPIXPASA-N 1 0 390.458 3.522 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001473585170 1074032572 /nfs/dbraw/zinc/03/25/72/1074032572.db2.gz FVWZFYURJBQWQZ-KNQAVFIVSA-N 1 0 377.488 3.784 20 30 GHEDRO N#Cc1ccc(OCCC[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001473653481 1074069167 /nfs/dbraw/zinc/06/91/67/1074069167.db2.gz OUICFIAVXDKPGO-IEBWSBKVSA-N 1 0 376.378 3.851 20 30 GHEDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001473735015 1074115366 /nfs/dbraw/zinc/11/53/66/1074115366.db2.gz NWRFJYVVDRNYLW-CQSZACIVSA-N 1 0 377.404 3.752 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC001473824856 1074161891 /nfs/dbraw/zinc/16/18/91/1074161891.db2.gz UUHSCHOIYYSVHE-RTBURBONSA-N 1 0 396.560 3.960 20 30 GHEDRO CC[C@@]1(C(=O)OC(C)(C)C)CCCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847251 1074172742 /nfs/dbraw/zinc/17/27/42/1074172742.db2.gz FSFIWKBPPMXYKG-XMSQKQJNSA-N 1 0 386.492 3.606 20 30 GHEDRO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCc2c(C#N)c(N)sc2C1 ZINC001473857791 1074178145 /nfs/dbraw/zinc/17/81/45/1074178145.db2.gz BWQOSBIJYBGZPP-UHFFFAOYSA-N 1 0 378.542 3.645 20 30 GHEDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC001473897889 1074194931 /nfs/dbraw/zinc/19/49/31/1074194931.db2.gz RQMBOAQJUIMTAI-QGZVFWFLSA-N 1 0 375.538 3.574 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CN(Cc2ccccc2C)CCO1 ZINC001474240660 1074306077 /nfs/dbraw/zinc/30/60/77/1074306077.db2.gz MAKATJOFAHKSCK-FQEVSTJZSA-N 1 0 398.934 3.651 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C2 ZINC001474290105 1074327170 /nfs/dbraw/zinc/32/71/70/1074327170.db2.gz SSNRNGJJLBTVNE-RLLQIKCJSA-N 1 0 385.508 3.999 20 30 GHEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)C(C)(C)C ZINC001474563450 1074464288 /nfs/dbraw/zinc/46/42/88/1074464288.db2.gz PSKVAWPYPBDDIP-DOMZBBRYSA-N 1 0 378.538 3.896 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2COc3cccc(Br)c3C2)C1 ZINC001474680722 1074510865 /nfs/dbraw/zinc/51/08/65/1074510865.db2.gz QMCQQGSJARVPFW-SHPPYHEDSA-N 1 0 383.289 3.966 20 30 GHEDRO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001474727664 1074535894 /nfs/dbraw/zinc/53/58/94/1074535894.db2.gz JKGXQENEJLZOMC-KRWDZBQOSA-N 1 0 378.472 3.878 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C)C1 ZINC001493740639 1079290791 /nfs/dbraw/zinc/29/07/91/1079290791.db2.gz PPXBTTUTBZBLPF-SFHVURJKSA-N 1 0 380.540 3.783 20 30 GHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001474937153 1074641029 /nfs/dbraw/zinc/64/10/29/1074641029.db2.gz AWOHBOIFMUHCSO-MRXNPFEDSA-N 1 0 395.956 3.535 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001476032745 1075071909 /nfs/dbraw/zinc/07/19/09/1075071909.db2.gz LJTXKGWDDOYRBV-JOCHJYFZSA-N 1 0 378.476 3.743 20 30 GHEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001476057222 1075076894 /nfs/dbraw/zinc/07/68/94/1075076894.db2.gz WHDFSQIHXICWNF-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC001476101103 1075084953 /nfs/dbraw/zinc/08/49/53/1075084953.db2.gz TWMGDBMXXLPFFU-XJKSGUPXSA-N 1 0 380.439 3.744 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001476201733 1075102891 /nfs/dbraw/zinc/10/28/91/1075102891.db2.gz VRQQORRFOHSMKJ-SFHVURJKSA-N 1 0 379.464 3.692 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001476317096 1075123734 /nfs/dbraw/zinc/12/37/34/1075123734.db2.gz ISWHCIVMDOHTMO-MRXNPFEDSA-N 1 0 387.443 3.860 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)[NH+](C)C ZINC001496658923 1079477326 /nfs/dbraw/zinc/47/73/26/1079477326.db2.gz DMFQKXWFYIDUMA-FUHWJXTLSA-N 1 0 376.593 3.971 20 30 GHEDRO CC[C@H](Cn1c(C)nnc1N(CCC#N)CC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC001497182424 1079485905 /nfs/dbraw/zinc/48/59/05/1079485905.db2.gz NIPNKUCAEUSJQG-JOCHJYFZSA-N 1 0 392.551 3.554 20 30 GHEDRO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC1CC1)[NH+]1CCCC1 ZINC001497214931 1079486947 /nfs/dbraw/zinc/48/69/47/1079486947.db2.gz QAMWEXLZEKLTOW-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828161103 601300599 /nfs/dbraw/zinc/30/05/99/601300599.db2.gz MQYDRMAWOIEGMY-IEGUWTFLSA-N 1 0 391.515 3.952 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1Cl ZINC000823932459 607705778 /nfs/dbraw/zinc/70/57/78/607705778.db2.gz ZPIFRNFXQYJUHU-UHFFFAOYSA-N 1 0 381.867 3.864 20 30 GHEDRO CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000821221181 606483545 /nfs/dbraw/zinc/48/35/45/606483545.db2.gz JDWDDFJBBXEGFD-CYBMUJFWSA-N 1 0 398.417 3.923 20 30 GHEDRO CC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821215726 606886937 /nfs/dbraw/zinc/88/69/37/606886937.db2.gz SHCJCEBLPHBFOJ-INIZCTEOSA-N 1 0 376.464 3.590 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826387104 608310868 /nfs/dbraw/zinc/31/08/68/608310868.db2.gz GMRNKHWSYVCGTC-UHFFFAOYSA-N 1 0 384.418 3.834 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OCC(F)F)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909679 608631205 /nfs/dbraw/zinc/63/12/05/608631205.db2.gz NARQLHAZIAFMLX-UHFFFAOYSA-N 1 0 385.418 3.699 20 30 GHEDRO N#Cc1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc(Cl)n1 ZINC001164414731 718880451 /nfs/dbraw/zinc/88/04/51/718880451.db2.gz WQPARRLBPQYTGT-LBPRGKRZSA-N 1 0 394.775 3.805 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)[C@H]2CC ZINC001164700194 719823767 /nfs/dbraw/zinc/82/37/67/719823767.db2.gz JIXPCIVOSBLYCQ-REWPJTCUSA-N 1 0 382.552 3.602 20 30 GHEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164733647 720545251 /nfs/dbraw/zinc/54/52/51/720545251.db2.gz DNDLGBRXSGQOHK-AWEZNQCLSA-N 1 0 398.885 3.668 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C#N)cc1Cl)CC2 ZINC001164837051 720664708 /nfs/dbraw/zinc/66/47/08/720664708.db2.gz AYSPGFJUBFUHNS-IBGZPJMESA-N 1 0 396.922 3.867 20 30 GHEDRO N#Cc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165050200 721978511 /nfs/dbraw/zinc/97/85/11/721978511.db2.gz QUTYRBKEVHPDBJ-QGZVFWFLSA-N 1 0 379.464 3.859 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472602521 837483472 /nfs/dbraw/zinc/48/34/72/837483472.db2.gz VPSHVSCEKYSTNZ-QHCPKHFHSA-N 1 0 378.472 3.916 20 30 GHEDRO COc1cc(NC(=O)CC[N@H+](CCC#N)CC(C)(C)C)c(OC)cc1Cl ZINC000173372095 837711768 /nfs/dbraw/zinc/71/17/68/837711768.db2.gz CSLZPBRCHAQJGN-UHFFFAOYSA-N 1 0 381.904 3.948 20 30 GHEDRO N#CCCC[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000431812403 837761786 /nfs/dbraw/zinc/76/17/86/837761786.db2.gz TWZVUBIRMCJSKI-QFIPXVFZSA-N 1 0 391.519 3.780 20 30 GHEDRO C=C(CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000510032080 834407777 /nfs/dbraw/zinc/40/77/77/834407777.db2.gz DMXXLBYVSSABDF-GOSISDBHSA-N 1 0 391.515 3.687 20 30 GHEDRO CC[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)Cc1cccc(Br)c1 ZINC000583500231 834516709 /nfs/dbraw/zinc/51/67/09/834516709.db2.gz QMUTYXLQNYEQTP-CQSZACIVSA-N 1 0 398.308 3.722 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000176890867 837781384 /nfs/dbraw/zinc/78/13/84/837781384.db2.gz VCFOIAQQXOKGEO-XMSQKQJNSA-N 1 0 388.515 3.895 20 30 GHEDRO CCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000158861549 834690069 /nfs/dbraw/zinc/69/00/69/834690069.db2.gz RLABSEYKRIVNSA-UHFFFAOYSA-N 1 0 380.467 4.000 20 30 GHEDRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000329294377 834783254 /nfs/dbraw/zinc/78/32/54/834783254.db2.gz OFIBTXTUBRJXEI-KXBFYZLASA-N 1 0 385.537 3.502 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1C ZINC000728571691 834793484 /nfs/dbraw/zinc/79/34/84/834793484.db2.gz JPIVBLALIVOCNP-SFHVURJKSA-N 1 0 386.455 3.673 20 30 GHEDRO N#Cc1c(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cccc1C(F)F ZINC000583704010 834899273 /nfs/dbraw/zinc/89/92/73/834899273.db2.gz ROLAYOQSBDZALU-UHFFFAOYSA-N 1 0 398.457 3.805 20 30 GHEDRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000510080244 834988182 /nfs/dbraw/zinc/98/81/82/834988182.db2.gz SVKDIKMWNCRVAZ-UHFFFAOYSA-N 1 0 394.519 3.760 20 30 GHEDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000611941362 835091351 /nfs/dbraw/zinc/09/13/51/835091351.db2.gz RRDBHMMCEFALGG-SJORKVTESA-N 1 0 380.492 3.639 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000583838135 835121253 /nfs/dbraw/zinc/12/12/53/835121253.db2.gz UNNVEXIYKCYNKT-UHFFFAOYSA-N 1 0 393.535 3.781 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000634580019 835126805 /nfs/dbraw/zinc/12/68/05/835126805.db2.gz WCFMSDKAONQGJM-ZIAGYGMSSA-N 1 0 385.489 3.849 20 30 GHEDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NCC1(O)CCCCCC1 ZINC000329505657 835158158 /nfs/dbraw/zinc/15/81/58/835158158.db2.gz HJRHNAZNHMJCMZ-UHFFFAOYSA-N 1 0 379.570 3.549 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000472344323 835204875 /nfs/dbraw/zinc/20/48/75/835204875.db2.gz VMYKOVLUSHTNKC-UHFFFAOYSA-N 1 0 398.429 3.839 20 30 GHEDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCC1CCOCC1 ZINC000329559391 835248147 /nfs/dbraw/zinc/24/81/47/835248147.db2.gz IJGZJIPGKVDAMZ-PMACEKPBSA-N 1 0 387.524 3.562 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000157638600 835290141 /nfs/dbraw/zinc/29/01/41/835290141.db2.gz LIUSFCGBBDBTOU-OAHLLOKOSA-N 1 0 375.463 3.953 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000127010981 835315173 /nfs/dbraw/zinc/31/51/73/835315173.db2.gz ZTIUQDFKJQKBLP-QGZVFWFLSA-N 1 0 394.475 3.775 20 30 GHEDRO C=CCn1c(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1C1CC1 ZINC000278582535 835472839 /nfs/dbraw/zinc/47/28/39/835472839.db2.gz OWFVCVPQRLZYJX-LJQANCHMSA-N 1 0 384.549 3.725 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000647378206 835519996 /nfs/dbraw/zinc/51/99/96/835519996.db2.gz FFUYHGMOOLOAOQ-UHFFFAOYSA-N 1 0 385.478 3.661 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H](C#N)CCc2ccccc2)cc1 ZINC000433380670 844075110 /nfs/dbraw/zinc/07/51/10/844075110.db2.gz DOFAXZVLLOWSLD-JTHBVZDNSA-N 1 0 391.515 3.721 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274828207 835668881 /nfs/dbraw/zinc/66/88/81/835668881.db2.gz LJCIGNNMDKOJTD-LDBYXDLTSA-N 1 0 394.519 3.595 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@H]2CCCCO2)cc1 ZINC000134214025 835705357 /nfs/dbraw/zinc/70/53/57/835705357.db2.gz WDXRMMGLQZQQQV-LJQANCHMSA-O 1 0 397.564 3.997 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000120106289 835838231 /nfs/dbraw/zinc/83/82/31/835838231.db2.gz WCNYGEFNRYGVRQ-LJQANCHMSA-N 1 0 382.533 3.673 20 30 GHEDRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000510921238 844102989 /nfs/dbraw/zinc/10/29/89/844102989.db2.gz YGUNUPKSMXYJGA-IRLDBZIGSA-N 1 0 382.479 3.790 20 30 GHEDRO CC(C)[NH+](CCNC(=O)c1cccc(OCc2ccccc2C#N)c1)C(C)C ZINC000059994044 835928852 /nfs/dbraw/zinc/92/88/52/835928852.db2.gz QODDHXHXKKVOOS-UHFFFAOYSA-N 1 0 379.504 3.986 20 30 GHEDRO COc1ccc(C[NH2+]CCn2c(C)nc3ccccc32)cc1OCCCC#N ZINC000064613727 835978544 /nfs/dbraw/zinc/97/85/44/835978544.db2.gz NRKSMYFYFQNSAE-UHFFFAOYSA-N 1 0 378.476 3.826 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CC1 ZINC000154758660 835991320 /nfs/dbraw/zinc/99/13/20/835991320.db2.gz HUHFTNHYKXEIIR-UHFFFAOYSA-N 1 0 387.524 3.715 20 30 GHEDRO CC(C)COC(=O)N1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000177129590 836002106 /nfs/dbraw/zinc/00/21/06/836002106.db2.gz GMIKDXCSLSQBND-UHFFFAOYSA-N 1 0 375.538 3.638 20 30 GHEDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000413643513 836066758 /nfs/dbraw/zinc/06/67/58/836066758.db2.gz RMWQSJLPWMKBEX-XZOQPEGZSA-N 1 0 389.499 3.799 20 30 GHEDRO COCCOc1ccc(C#N)cc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413729699 836204452 /nfs/dbraw/zinc/20/44/52/836204452.db2.gz YKLVPODDCPKVRY-UHFFFAOYSA-N 1 0 393.487 3.822 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000612432143 836215080 /nfs/dbraw/zinc/21/50/80/836215080.db2.gz JCFFVLGLYACWEB-NRFANRHFSA-N 1 0 376.504 3.510 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582210879 836250141 /nfs/dbraw/zinc/25/01/41/836250141.db2.gz MXDHKEFESBTDID-HKUYNNGSSA-N 1 0 378.451 3.683 20 30 GHEDRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065931317 836257215 /nfs/dbraw/zinc/25/72/15/836257215.db2.gz GXCXBVROEHRDEI-QGZVFWFLSA-N 1 0 399.922 3.878 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705664529 836353091 /nfs/dbraw/zinc/35/30/91/836353091.db2.gz WDYJXSOWNQZQLO-WOJBJXKFSA-N 1 0 396.332 3.885 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000728929274 844155906 /nfs/dbraw/zinc/15/59/06/844155906.db2.gz UGDSBVSXETXWIG-UHFFFAOYSA-N 1 0 392.396 3.837 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000613429743 836378304 /nfs/dbraw/zinc/37/83/04/836378304.db2.gz RVKUOYLGILEUGD-VQTJNVASSA-N 1 0 378.520 3.546 20 30 GHEDRO COc1cccc(/C(C)=C/C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000177360438 836399989 /nfs/dbraw/zinc/39/99/89/836399989.db2.gz XRNIJYDJWFSTMA-QGOAFFKASA-N 1 0 377.488 3.561 20 30 GHEDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1)c1ccccc1 ZINC000430307263 836471392 /nfs/dbraw/zinc/47/13/92/836471392.db2.gz RNUOJOJAUZTZCT-QGZVFWFLSA-N 1 0 385.414 3.645 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)Nc2cc3c(cc2SC)OCCO3)CC1 ZINC000328609199 836502899 /nfs/dbraw/zinc/50/28/99/836502899.db2.gz MNWXPDWIASNHET-UHFFFAOYSA-N 1 0 379.526 3.628 20 30 GHEDRO COC1(C(F)(F)F)CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000419344068 844179640 /nfs/dbraw/zinc/17/96/40/844179640.db2.gz DSVYCLMVRNXJGJ-UHFFFAOYSA-N 1 0 389.805 3.584 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000175510041 836587196 /nfs/dbraw/zinc/58/71/96/836587196.db2.gz JLRFNFJZOBCZSI-UZLBHIALSA-N 1 0 380.467 3.550 20 30 GHEDRO CCC1(CNC(=O)NCc2nc(C#N)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000893821480 844182186 /nfs/dbraw/zinc/18/21/86/844182186.db2.gz ATWAVKGWPWGSIJ-UHFFFAOYSA-N 1 0 397.548 3.506 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)CCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510185264 836679811 /nfs/dbraw/zinc/67/98/11/836679811.db2.gz NCHMDEPDGFKOAG-XXBNENTESA-N 1 0 375.516 3.908 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cccc(C#N)c3C)CC2)c1 ZINC000513062319 844198958 /nfs/dbraw/zinc/19/89/58/844198958.db2.gz SPKYLYUNVZQGJV-UHFFFAOYSA-N 1 0 390.531 3.507 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C3(c4cccc(C#N)c4)CC3)C2)s1 ZINC000582007638 844202870 /nfs/dbraw/zinc/20/28/70/844202870.db2.gz CWAYYRHSXZFDEH-IBGZPJMESA-N 1 0 393.556 3.940 20 30 GHEDRO COc1cc(-c2noc(/C=C\c3ccccc3C#N)n2)ccc1OCC[NH+](C)C ZINC000612900687 836947315 /nfs/dbraw/zinc/94/73/15/836947315.db2.gz XMFBEQHQCFLAGC-LUAWRHEFSA-N 1 0 390.443 3.728 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000247155762 836968738 /nfs/dbraw/zinc/96/87/38/836968738.db2.gz XIZSDYFQERTBKG-DHIUTWEWSA-N 1 0 388.515 3.754 20 30 GHEDRO N#Cc1cccc([C@H](c2nc(-c3cccc4ccccc43)no2)N2CC[NH2+]CC2)c1 ZINC001211640744 837024303 /nfs/dbraw/zinc/02/43/03/837024303.db2.gz OIZPQXFEGOWGHB-JOCHJYFZSA-N 1 0 395.466 3.756 20 30 GHEDRO Cc1ccc(Cl)cc1-c1noc([C@@H](c2cccc(C#N)c2)N2CC[NH2+]CC2)n1 ZINC001211641012 837087435 /nfs/dbraw/zinc/08/74/35/837087435.db2.gz VCEHUGNMHPAMPA-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cnc1C(F)(F)F ZINC000579932631 837154932 /nfs/dbraw/zinc/15/49/32/837154932.db2.gz OZRLZKZTKRSUQI-UHFFFAOYSA-N 1 0 388.393 3.863 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)c2)c1 ZINC000180457661 837280908 /nfs/dbraw/zinc/28/09/08/837280908.db2.gz JHPXXKRIZQSEHF-FCHUYYIVSA-N 1 0 380.513 3.844 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)ccc1C#N ZINC000580134731 837286790 /nfs/dbraw/zinc/28/67/90/837286790.db2.gz QRQIDHNOIDTHEM-QGZVFWFLSA-N 1 0 386.293 3.698 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659031931 837312913 /nfs/dbraw/zinc/31/29/13/837312913.db2.gz PUGNLTNOPXDPAK-OAQYLSRUSA-N 1 0 381.476 3.576 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCOc1ccc(C#N)cc1 ZINC000181155695 837857530 /nfs/dbraw/zinc/85/75/30/837857530.db2.gz HMPQYEKKAPPJMZ-AWEZNQCLSA-N 1 0 391.393 3.963 20 30 GHEDRO C=CCc1cc(CN[C@@H](Cc2ccccc2)c2nccn2C)cc(OC)c1O ZINC000651961208 837911559 /nfs/dbraw/zinc/91/15/59/837911559.db2.gz SDUNJWIIESCVHM-FQEVSTJZSA-N 1 0 377.488 3.936 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000177478234 837962430 /nfs/dbraw/zinc/96/24/30/837962430.db2.gz SQCHSODYHZSNOI-RTWAWAEBSA-N 1 0 377.488 3.740 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000177481802 837963220 /nfs/dbraw/zinc/96/32/20/837963220.db2.gz VLHMQYHXIKZFNH-NHCUHLMSSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000415806591 838123142 /nfs/dbraw/zinc/12/31/42/838123142.db2.gz PEKRGHGACHEMNA-IUODEOHRSA-N 1 0 382.302 3.748 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000330164126 838170280 /nfs/dbraw/zinc/17/02/80/838170280.db2.gz VTAHPGFGWSVIFW-CQSZACIVSA-N 1 0 390.434 3.942 20 30 GHEDRO Cc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728265133 838255580 /nfs/dbraw/zinc/25/55/80/838255580.db2.gz DDXNQXLGGUMWTO-UHFFFAOYSA-N 1 0 378.520 3.911 20 30 GHEDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000415950479 838307805 /nfs/dbraw/zinc/30/78/05/838307805.db2.gz DMYZNICTRVXXFX-UHFFFAOYSA-N 1 0 399.310 3.820 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415965212 838324462 /nfs/dbraw/zinc/32/44/62/838324462.db2.gz ZQSGCNZFDKHIJB-UHFFFAOYSA-N 1 0 384.411 3.600 20 30 GHEDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728269297 838363229 /nfs/dbraw/zinc/36/32/29/838363229.db2.gz GZWAMUCRYGVUEG-IRXDYDNUSA-N 1 0 378.520 3.816 20 30 GHEDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728271190 838390694 /nfs/dbraw/zinc/39/06/94/838390694.db2.gz VPTAHBHTHNWQNY-UHFFFAOYSA-N 1 0 378.520 3.960 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000376595558 838415495 /nfs/dbraw/zinc/41/54/95/838415495.db2.gz OQQZSFHXZWZXFG-OAQYLSRUSA-N 1 0 388.515 3.523 20 30 GHEDRO N#Cc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000162305227 838447354 /nfs/dbraw/zinc/44/73/54/838447354.db2.gz ZTUDMGVXPXOJMH-UHFFFAOYSA-N 1 0 391.302 3.931 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@H]2CCCO2)c1 ZINC000041465786 838492395 /nfs/dbraw/zinc/49/23/95/838492395.db2.gz LAQKCCUJDVZMFM-LJQANCHMSA-O 1 0 397.564 3.915 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000610343969 838569470 /nfs/dbraw/zinc/56/94/70/838569470.db2.gz XGTIXOPJYZEMJG-IRXDYDNUSA-N 1 0 392.503 3.718 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)NCC(F)(F)F)cc1 ZINC000170637263 838695488 /nfs/dbraw/zinc/69/54/88/838695488.db2.gz GSXXJCGLUNLQSU-UHFFFAOYSA-O 1 0 397.442 3.636 20 30 GHEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610371907 838743912 /nfs/dbraw/zinc/74/39/12/838743912.db2.gz RZDIYOSAKRRTTG-JTHBVZDNSA-N 1 0 384.495 3.831 20 30 GHEDRO Cc1sc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c(C#N)c1C ZINC000414697578 838754761 /nfs/dbraw/zinc/75/47/61/838754761.db2.gz WUJRSYMIGSYLLX-UHFFFAOYSA-N 1 0 393.516 3.914 20 30 GHEDRO COCCN(CCC#N)c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC000153946385 838790143 /nfs/dbraw/zinc/79/01/43/838790143.db2.gz RKERRKNUYKGYKG-UHFFFAOYSA-N 1 0 395.532 3.786 20 30 GHEDRO C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000576398872 844377601 /nfs/dbraw/zinc/37/76/01/844377601.db2.gz AMPLKUIWVZUTFY-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)NCC#Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000511519040 838950901 /nfs/dbraw/zinc/95/09/01/838950901.db2.gz BHYQAYOCKXTLBZ-AVRDEDQJSA-N 1 0 379.479 3.530 20 30 GHEDRO N#CC[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000377073989 838977736 /nfs/dbraw/zinc/97/77/36/838977736.db2.gz QQOYFKVRYVWDAJ-HSZRJFAPSA-N 1 0 386.499 3.680 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)Cc2c(F)cccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000579480559 839044028 /nfs/dbraw/zinc/04/40/28/839044028.db2.gz GOLCGOVNWXSWLP-HKUYNNGSSA-N 1 0 379.479 3.657 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCC ZINC000415049977 839118372 /nfs/dbraw/zinc/11/83/72/839118372.db2.gz BYOYTBAVXHXKRI-AUUYWEPGSA-N 1 0 397.357 3.829 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415084834 839173498 /nfs/dbraw/zinc/17/34/98/839173498.db2.gz PAIOLNXEDBNGQR-RDJZCZTQSA-N 1 0 394.475 3.808 20 30 GHEDRO N#CC1(NC(=O)/C=C/c2ccc3ccccc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000378479498 839190955 /nfs/dbraw/zinc/19/09/55/839190955.db2.gz WEWYLDREFRSBOA-OUKQBFOZSA-N 1 0 396.494 3.923 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415129260 839254500 /nfs/dbraw/zinc/25/45/00/839254500.db2.gz VEILCUIYTXKIAT-HRAATJIYSA-N 1 0 378.476 3.565 20 30 GHEDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000415162400 839306152 /nfs/dbraw/zinc/30/61/52/839306152.db2.gz NXRMNFRECNVPBD-KBPBESRZSA-N 1 0 382.489 3.535 20 30 GHEDRO CC(C)(C)CN(CCC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000510321608 839308174 /nfs/dbraw/zinc/30/81/74/839308174.db2.gz SBDSJECMMPCWEQ-SFHVURJKSA-N 1 0 377.479 3.932 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c1C#N ZINC000181546566 839379273 /nfs/dbraw/zinc/37/92/73/839379273.db2.gz RFVOZQSKVBLVSN-MRXNPFEDSA-N 1 0 388.471 3.961 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000614400876 844430498 /nfs/dbraw/zinc/43/04/98/844430498.db2.gz LYKRRZPAPUPRSF-GOSISDBHSA-N 1 0 378.394 3.757 20 30 GHEDRO Cc1nsc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1C#N ZINC000549245599 839520593 /nfs/dbraw/zinc/52/05/93/839520593.db2.gz SUVJNIHWKTYASV-GOSISDBHSA-N 1 0 382.533 3.664 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)ccc1OC ZINC000363920602 839566194 /nfs/dbraw/zinc/56/61/94/839566194.db2.gz BMXJCORSWHYPSZ-GBESFXJTSA-N 1 0 382.508 3.926 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000328742906 839722574 /nfs/dbraw/zinc/72/25/74/839722574.db2.gz NECMTHQNUCHATC-UHFFFAOYSA-N 1 0 395.931 3.627 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549290779 839853877 /nfs/dbraw/zinc/85/38/77/839853877.db2.gz RWJLQKUSCBOXRN-UHFFFAOYSA-N 1 0 376.508 3.600 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)F ZINC000415535876 839925574 /nfs/dbraw/zinc/92/55/74/839925574.db2.gz DQCZKXLTRIXZSF-VHSXEESVSA-N 1 0 393.278 3.591 20 30 GHEDRO CCC[NH+]1CCN(c2ccccc2CN(CCC#N)Cc2ccccn2)CC1 ZINC000093100500 839966786 /nfs/dbraw/zinc/96/67/86/839966786.db2.gz JPPNJBAZDJRXBC-UHFFFAOYSA-N 1 0 377.536 3.529 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000126005841 839987105 /nfs/dbraw/zinc/98/71/05/839987105.db2.gz SAJOGRCNTREVLH-XJKSGUPXSA-N 1 0 380.366 3.547 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000580689805 840018128 /nfs/dbraw/zinc/01/81/28/840018128.db2.gz LYEZMXZTHCPLKS-NKKJXINNSA-N 1 0 394.515 3.781 20 30 GHEDRO CCOCCO[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000535805619 844499855 /nfs/dbraw/zinc/49/98/55/844499855.db2.gz JLETWCDKRHVDGO-QHCPKHFHSA-N 1 0 380.488 3.765 20 30 GHEDRO N#CCCC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000580733253 840081464 /nfs/dbraw/zinc/08/14/64/840081464.db2.gz RIOUKAWWYZCRSK-VXKWHMMOSA-N 1 0 376.504 3.845 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000025811677 840176980 /nfs/dbraw/zinc/17/69/80/840176980.db2.gz BAAVPMJQGJSNAP-KOEDOTQGSA-N 1 0 386.517 3.754 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCc2cccs2)c1 ZINC000185577809 840241622 /nfs/dbraw/zinc/24/16/22/840241622.db2.gz KMYCZQFMNLEGAA-UHFFFAOYSA-O 1 0 392.529 3.944 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261735994 840311740 /nfs/dbraw/zinc/31/17/40/840311740.db2.gz YSNFNPKSSIINRN-ITBHCLRTSA-N 1 0 397.563 3.585 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000511593952 840328466 /nfs/dbraw/zinc/32/84/66/840328466.db2.gz MZKIDKLBPTXBQJ-BLLLJJGKSA-N 1 0 381.398 3.577 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509728280 840329768 /nfs/dbraw/zinc/32/97/68/840329768.db2.gz IPJDMKZMXVOXJM-AVRDEDQJSA-N 1 0 376.504 3.658 20 30 GHEDRO [NH2+]=C(NCCCc1nc2ccccc2[nH]1)Nc1ccccc1OC(F)(F)F ZINC000160669163 840351305 /nfs/dbraw/zinc/35/13/05/840351305.db2.gz JKLTYAYBHKIBIC-UHFFFAOYSA-N 1 0 377.370 3.821 20 30 GHEDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000236858832 840525378 /nfs/dbraw/zinc/52/53/78/840525378.db2.gz YPLOIJXMGRSXPZ-QGZVFWFLSA-N 1 0 398.438 3.763 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)c2cccs2)CC1 ZINC000432039483 840564407 /nfs/dbraw/zinc/56/44/07/840564407.db2.gz DXHSKPCIGKLTIM-HXUWFJFHSA-N 1 0 396.560 3.889 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511743921 840620762 /nfs/dbraw/zinc/62/07/62/840620762.db2.gz NYKJMAOZHWJEOW-ARNLJNQMSA-N 1 0 392.543 4.000 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000509764262 844558378 /nfs/dbraw/zinc/55/83/78/844558378.db2.gz XNABVWLOKSCLLC-XMSQKQJNSA-N 1 0 376.504 3.658 20 30 GHEDRO Cc1nc2cc(F)ccc2cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047234349 840702936 /nfs/dbraw/zinc/70/29/36/840702936.db2.gz CMHKBSMBLIJPDD-UHFFFAOYSA-N 1 0 390.462 3.758 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417398267 840817414 /nfs/dbraw/zinc/81/74/14/840817414.db2.gz YRQJMBOMCVUIIJ-JLTOFOAXSA-N 1 0 378.432 3.851 20 30 GHEDRO C=CCC1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCOCC1 ZINC000584776268 840824829 /nfs/dbraw/zinc/82/48/29/840824829.db2.gz QKIQHCAIFIVHMX-LJQANCHMSA-N 1 0 376.928 3.966 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)cc1 ZINC000511819874 840858896 /nfs/dbraw/zinc/85/88/96/840858896.db2.gz DGZHOKBWMJPFRR-UHFFFAOYSA-N 1 0 377.488 3.839 20 30 GHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000048286947 840872553 /nfs/dbraw/zinc/87/25/53/840872553.db2.gz ZGJQXUKTCOAJLW-UHFFFAOYSA-N 1 0 395.528 3.552 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1cccnc1 ZINC000181666365 840907369 /nfs/dbraw/zinc/90/73/69/840907369.db2.gz PTWKZSRBOBUBBF-QGZVFWFLSA-N 1 0 399.498 3.912 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000584827095 840994362 /nfs/dbraw/zinc/99/43/62/840994362.db2.gz DIAPKJFVIGVXHB-QFIPXVFZSA-N 1 0 388.467 3.667 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1cn2c(n1)CCCC2 ZINC000330235444 841038211 /nfs/dbraw/zinc/03/82/11/841038211.db2.gz GXOZKQKDYIALQK-ZDUSSCGKSA-N 1 0 383.521 3.750 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417600886 841056003 /nfs/dbraw/zinc/05/60/03/841056003.db2.gz KQTMRHMXANJTOX-UHFFFAOYSA-N 1 0 398.551 3.799 20 30 GHEDRO COC(=O)C[C@](C)([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000513144790 844609786 /nfs/dbraw/zinc/60/97/86/844609786.db2.gz NQKYYFBSLAQWGM-IBGZPJMESA-N 1 0 387.277 3.889 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H](C)Oc3ccccc3C#N)C2)s1 ZINC000573619035 844610223 /nfs/dbraw/zinc/61/02/23/844610223.db2.gz XFBRXHGTEYASCE-MSOLQXFVSA-N 1 0 397.544 3.676 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511872447 841144056 /nfs/dbraw/zinc/14/40/56/841144056.db2.gz INTFEOWAYWEKNO-ROUUACIJSA-N 1 0 392.425 3.587 20 30 GHEDRO N#CC(CC[N@@H+]1CCC[C@H](N2CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000581377829 841198186 /nfs/dbraw/zinc/19/81/86/841198186.db2.gz QAGGDRMVJSONEP-DEOSSOPVSA-N 1 0 389.543 3.683 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000053405208 841248090 /nfs/dbraw/zinc/24/80/90/841248090.db2.gz BFKLBRCSBXHCKS-KRWDZBQOSA-N 1 0 395.503 3.971 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2ccc(F)cc2I)CC1 ZINC000417897955 841256264 /nfs/dbraw/zinc/25/62/64/841256264.db2.gz IZKUZXUOAOGSSM-UHFFFAOYSA-N 1 0 388.268 3.560 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1C ZINC000182257225 841313888 /nfs/dbraw/zinc/31/38/88/841313888.db2.gz PLRFOQPEIRQUSZ-KRWDZBQOSA-N 1 0 379.460 3.630 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000661115736 841409768 /nfs/dbraw/zinc/40/97/68/841409768.db2.gz DRSJESHLGPVOKP-NVXWUHKLSA-N 1 0 388.512 3.832 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000661117570 841420847 /nfs/dbraw/zinc/42/08/47/841420847.db2.gz SBYCORDWCPLJNP-YLJYHZDGSA-N 1 0 378.538 3.533 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000125373779 841475335 /nfs/dbraw/zinc/47/53/35/841475335.db2.gz SHFGTCHDNCUEOM-ZIAGYGMSSA-N 1 0 375.538 3.620 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C[C@@H]1C ZINC000500121677 841485722 /nfs/dbraw/zinc/48/57/22/841485722.db2.gz NDLNOFLRLBWHQE-OALUTQOASA-N 1 0 393.535 3.635 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1OC ZINC000623572639 861219034 /nfs/dbraw/zinc/21/90/34/861219034.db2.gz ISMIOKXWAQRPLQ-HNNXBMFYSA-N 1 0 380.916 3.650 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000157181735 841639009 /nfs/dbraw/zinc/63/90/09/841639009.db2.gz FGBCAZMJHDNIDE-UHFFFAOYSA-N 1 0 375.476 3.609 20 30 GHEDRO N#Cc1cc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1Oc1ccccc1 ZINC000593763470 861229217 /nfs/dbraw/zinc/22/92/17/861229217.db2.gz LWYDZMACIKJIIF-JTSKRJEESA-N 1 0 376.460 3.943 20 30 GHEDRO CO[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000123617794 841801695 /nfs/dbraw/zinc/80/16/95/841801695.db2.gz YHBVIQSNPDRKPU-SFHVURJKSA-N 1 0 375.856 3.616 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001125524212 841877094 /nfs/dbraw/zinc/87/70/94/841877094.db2.gz VNQNBLTZHKHZIC-OAQYLSRUSA-N 1 0 382.439 3.897 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000276460751 841974784 /nfs/dbraw/zinc/97/47/84/841974784.db2.gz LGNKQQZXIUKMMF-IBGZPJMESA-N 1 0 383.471 3.505 20 30 GHEDRO C=CCN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](C)COC ZINC000663516023 842069020 /nfs/dbraw/zinc/06/90/20/842069020.db2.gz KOOKZLIDJOQCTE-MRXNPFEDSA-N 1 0 379.932 3.537 20 30 GHEDRO CNC(=O)C1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905635 842089111 /nfs/dbraw/zinc/08/91/11/842089111.db2.gz XGQALBHWANQCEV-UHFFFAOYSA-N 1 0 377.488 3.532 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000581824062 842233101 /nfs/dbraw/zinc/23/31/01/842233101.db2.gz VHNBIXIFINAUKZ-UHFFFAOYSA-N 1 0 393.457 3.670 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000585754373 842259611 /nfs/dbraw/zinc/25/96/11/842259611.db2.gz KNALNZJPABCXHS-UHFFFAOYSA-N 1 0 396.535 3.819 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1OC ZINC001125536068 842304723 /nfs/dbraw/zinc/30/47/23/842304723.db2.gz KAXIGMKECPZQQV-ZRDIBKRKSA-N 1 0 398.547 3.998 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000050108178 842524494 /nfs/dbraw/zinc/52/44/94/842524494.db2.gz GTXYHSFDGYCNSG-IBGZPJMESA-N 1 0 394.475 3.534 20 30 GHEDRO O=C(N1CCC[C@@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1)C(F)(F)C(F)F ZINC001273096795 861320486 /nfs/dbraw/zinc/32/04/86/861320486.db2.gz XWIOITNFRSKDGK-CQSZACIVSA-N 1 0 392.359 3.934 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)CCN2C(=O)CSc3ccccc32)CC1 ZINC000328847630 842575806 /nfs/dbraw/zinc/57/58/06/842575806.db2.gz YDMGYHSRIPHTIH-UHFFFAOYSA-N 1 0 375.538 3.735 20 30 GHEDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000581910599 842631502 /nfs/dbraw/zinc/63/15/02/842631502.db2.gz IHQGPTZUFYORFM-KRWDZBQOSA-N 1 0 377.897 3.561 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000279164014 842666753 /nfs/dbraw/zinc/66/67/53/842666753.db2.gz AXNFWWRLUIPPFQ-UHFFFAOYSA-N 1 0 377.536 3.949 20 30 GHEDRO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599450471 842747163 /nfs/dbraw/zinc/74/71/63/842747163.db2.gz HGMDZUXHCAPDTN-PMACEKPBSA-N 1 0 376.928 3.808 20 30 GHEDRO C=CCn1c(SCCN2CCO[C@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000188246822 842847679 /nfs/dbraw/zinc/84/76/79/842847679.db2.gz DSDMBWMLMXZBNO-CQSZACIVSA-N 1 0 378.929 3.597 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1OC ZINC000510520032 842903219 /nfs/dbraw/zinc/90/32/19/842903219.db2.gz DGHQTQQGTDQHHO-VGSWGCGISA-N 1 0 382.504 3.990 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512193730 842964894 /nfs/dbraw/zinc/96/48/94/842964894.db2.gz FUTYSQDSAACHMW-JXFKEZNVSA-N 1 0 397.567 3.589 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000329390697 861366091 /nfs/dbraw/zinc/36/60/91/861366091.db2.gz VALGSHPLGWHGDM-NHCUHLMSSA-N 1 0 385.552 3.817 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cnc1N1CCCC[C@H]1C ZINC000329393418 861369661 /nfs/dbraw/zinc/36/96/61/861369661.db2.gz USRLPXIFAJIMKJ-QUCCMNQESA-N 1 0 385.556 3.875 20 30 GHEDRO C=C(C)Cn1c(CCCC)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549656615 843021072 /nfs/dbraw/zinc/02/10/72/843021072.db2.gz LXIIQMQSNDJGDQ-RTBURBONSA-N 1 0 389.588 3.522 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329398065 861373228 /nfs/dbraw/zinc/37/32/28/861373228.db2.gz VDUJHLHZPSIKMO-LBPRGKRZSA-N 1 0 375.416 3.612 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000512211723 843099751 /nfs/dbraw/zinc/09/97/51/843099751.db2.gz KJJNQWDIJJVJBP-QGZVFWFLSA-N 1 0 378.259 3.517 20 30 GHEDRO C=CCN1C(=O)N(CCC[N@@H+](C)C2CCCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430862687 843103454 /nfs/dbraw/zinc/10/34/54/843103454.db2.gz FKEOMSUGROUMHH-NRFANRHFSA-N 1 0 383.536 3.703 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1Cl ZINC000510652327 843131960 /nfs/dbraw/zinc/13/19/60/843131960.db2.gz WIMRJCGAFYFNEB-OAQYLSRUSA-N 1 0 397.906 3.912 20 30 GHEDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662414698 843200351 /nfs/dbraw/zinc/20/03/51/843200351.db2.gz XLYDSLOEFDPRDG-JTQLQIEISA-N 1 0 386.311 3.658 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccnn2CC)cc1OCC ZINC000663348035 843266038 /nfs/dbraw/zinc/26/60/38/843266038.db2.gz FJYJSCNRQJUZBO-UHFFFAOYSA-N 1 0 394.313 3.919 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000610614180 843298300 /nfs/dbraw/zinc/29/83/00/843298300.db2.gz FARIRUWPNAJMAE-BETUJISGSA-N 1 0 379.304 3.559 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000188681724 843361039 /nfs/dbraw/zinc/36/10/39/843361039.db2.gz BKTCSKDQYDBZDF-UHFFFAOYSA-N 1 0 392.341 3.557 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000247466368 843539404 /nfs/dbraw/zinc/53/94/04/843539404.db2.gz RMGOWRCPGJURRK-MBSDFSHPSA-N 1 0 391.515 3.940 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)cc1 ZINC000603901186 843576312 /nfs/dbraw/zinc/57/63/12/843576312.db2.gz CYJGAUKWKYMSDK-AMHTUMDSSA-N 1 0 379.504 3.817 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000162119143 861433886 /nfs/dbraw/zinc/43/38/86/861433886.db2.gz PHYIGEFSLBOURW-GJZGRUSLSA-N 1 0 391.899 3.594 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000500528125 843593078 /nfs/dbraw/zinc/59/30/78/843593078.db2.gz SOEWBQARILCKTP-FCHUYYIVSA-N 1 0 395.551 3.997 20 30 GHEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)C3CCC(c4ccccc4)CC3)CC2)C1=O ZINC000329444164 861439001 /nfs/dbraw/zinc/43/90/01/861439001.db2.gz NNRYBEDBDYFCPD-GZNCHQMQSA-N 1 0 383.536 3.612 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000481996485 843641037 /nfs/dbraw/zinc/64/10/37/843641037.db2.gz AZLTZTIDSROMMW-HXUWFJFHSA-N 1 0 394.519 3.560 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000572632051 843904227 /nfs/dbraw/zinc/90/42/27/843904227.db2.gz QVGAFMSTMCEVRB-IEBWSBKVSA-N 1 0 388.920 3.911 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000731109697 861470923 /nfs/dbraw/zinc/47/09/23/861470923.db2.gz XEDCPIBUZILCRS-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1OC ZINC000512884557 843935399 /nfs/dbraw/zinc/93/53/99/843935399.db2.gz FTCGJSPFVHUUFR-HIFRSBDPSA-N 1 0 384.314 3.785 20 30 GHEDRO COc1cccc(CN2CCN(c3cccc(F)c3C#N)CC2)c1OC(C)C ZINC000509538131 843983131 /nfs/dbraw/zinc/98/31/31/843983131.db2.gz DVXLXUGGNHBKRI-UHFFFAOYSA-N 1 0 383.467 3.815 20 30 GHEDRO COC(=O)c1cc([C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)oc1C ZINC000432939805 844692078 /nfs/dbraw/zinc/69/20/78/844692078.db2.gz VHMYHRSEDWCRKJ-INIZCTEOSA-N 1 0 381.476 3.515 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000512604617 844729128 /nfs/dbraw/zinc/72/91/28/844729128.db2.gz NEKWPAPAWZLTLJ-UHFFFAOYSA-N 1 0 385.471 3.595 20 30 GHEDRO Cc1cccc(N2CCN(CCC[NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)c1 ZINC000512636451 844846135 /nfs/dbraw/zinc/84/61/35/844846135.db2.gz LGJIMAIRJZDVST-IBGZPJMESA-N 1 0 380.511 3.869 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2)CC1 ZINC000729324050 844850328 /nfs/dbraw/zinc/85/03/28/844850328.db2.gz XFWUOJDVTYLISP-UHFFFAOYSA-N 1 0 387.487 3.559 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000614179152 844861624 /nfs/dbraw/zinc/86/16/24/844861624.db2.gz FWGIWQPEQGKEQI-KRWDZBQOSA-N 1 0 391.515 3.996 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000610967873 844924530 /nfs/dbraw/zinc/92/45/30/844924530.db2.gz TZDWPMVENZOCRW-RTWAWAEBSA-N 1 0 389.499 3.853 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)cc2F)n1 ZINC000329484648 861518420 /nfs/dbraw/zinc/51/84/20/861518420.db2.gz SJYDOLVQUJDDIR-QFBILLFUSA-N 1 0 385.487 3.732 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000151146636 844988492 /nfs/dbraw/zinc/98/84/92/844988492.db2.gz FYOYKIXJRDCDBL-AZUAARDMSA-N 1 0 383.442 3.530 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1ccccc1 ZINC000433029649 845015489 /nfs/dbraw/zinc/01/54/89/845015489.db2.gz CCEUHRKHQOJRDJ-IBGZPJMESA-N 1 0 393.516 3.956 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000673731882 861525838 /nfs/dbraw/zinc/52/58/38/861525838.db2.gz UQVFSVDIYWMLOI-KRWDZBQOSA-N 1 0 396.516 3.531 20 30 GHEDRO CCOC(=O)CCC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000610998075 845114512 /nfs/dbraw/zinc/11/45/12/845114512.db2.gz SMIYDSGALBSMSQ-UHFFFAOYSA-N 1 0 383.410 3.992 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CC3CCC2CC3)c1C#N ZINC000433067769 845156913 /nfs/dbraw/zinc/15/69/13/845156913.db2.gz MDKKVBDJWIKBHS-UHYCVJNDSA-N 1 0 380.492 3.725 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1C ZINC000731314377 861554258 /nfs/dbraw/zinc/55/42/58/861554258.db2.gz CLBGDJPPMCIAJP-UHFFFAOYSA-N 1 0 398.551 3.987 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)CC1 ZINC000664019935 845420816 /nfs/dbraw/zinc/42/08/16/845420816.db2.gz OKASRKAOLKMKPC-OAHLLOKOSA-N 1 0 377.916 3.503 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000538507937 845494150 /nfs/dbraw/zinc/49/41/50/845494150.db2.gz MGHDALJVZRJFLD-LBPRGKRZSA-N 1 0 390.256 3.540 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000513470008 845503766 /nfs/dbraw/zinc/50/37/66/845503766.db2.gz BEJSDXILKSEPPP-UHFFFAOYSA-N 1 0 397.906 3.793 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(OCC4CCCC4)CC3)C2=O)cc1 ZINC000182837016 845569026 /nfs/dbraw/zinc/56/90/26/845569026.db2.gz UOYUXJHUAKLKOR-QFIPXVFZSA-N 1 0 381.520 3.725 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000588487758 845583897 /nfs/dbraw/zinc/58/38/97/845583897.db2.gz ZYADZERFIIRNKD-GOSISDBHSA-N 1 0 393.409 3.718 20 30 GHEDRO Cc1ccccc1C[C@H](C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000599750605 861628855 /nfs/dbraw/zinc/62/88/55/861628855.db2.gz LOXZCVNHRWFASL-FQEVSTJZSA-N 1 0 375.516 3.848 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)s1 ZINC000421352268 846162577 /nfs/dbraw/zinc/16/25/77/846162577.db2.gz NTRBLUVTCYRQPT-UHFFFAOYSA-N 1 0 379.279 3.833 20 30 GHEDRO CCCOc1cccc(CNC(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502551935 846197744 /nfs/dbraw/zinc/19/77/44/846197744.db2.gz CTYUHVJJVIVKGQ-UHFFFAOYSA-N 1 0 389.499 3.753 20 30 GHEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCc2sccc2C1 ZINC000513683447 846238212 /nfs/dbraw/zinc/23/82/12/846238212.db2.gz KMHHDVZNJUNEDZ-KRWDZBQOSA-N 1 0 380.561 3.625 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414538262 846406748 /nfs/dbraw/zinc/40/67/48/846406748.db2.gz LYOPIXKYBGOLOH-IRFCIJBXSA-N 1 0 395.551 3.662 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000137006660 846407739 /nfs/dbraw/zinc/40/77/39/846407739.db2.gz DIVJGCSAORXBHQ-UHFFFAOYSA-N 1 0 376.504 3.716 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(CCC)cc1)[n+]1cccc(CO)c1 ZINC000280572090 846450644 /nfs/dbraw/zinc/45/06/44/846450644.db2.gz LRBSMOFZJWIUNJ-UHFFFAOYSA-O 1 0 385.553 3.747 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000513702937 846529229 /nfs/dbraw/zinc/52/92/29/846529229.db2.gz OUJSIZLCBFRLJI-HXUWFJFHSA-N 1 0 385.483 3.755 20 30 GHEDRO CCC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000179665939 861692715 /nfs/dbraw/zinc/69/27/15/861692715.db2.gz RDSYBJXVXOSXBF-VQTJNVASSA-N 1 0 396.560 3.588 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419503704 846596681 /nfs/dbraw/zinc/59/66/81/846596681.db2.gz IBTHTUXZAQBPNQ-YSSFQJQWSA-N 1 0 380.492 3.957 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000684805925 846717580 /nfs/dbraw/zinc/71/75/80/846717580.db2.gz QKSVDVPRQGXGHD-AHRSYUTCSA-N 1 0 391.943 3.757 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000503070440 846767552 /nfs/dbraw/zinc/76/75/52/846767552.db2.gz VYLYMQZJAOSFPN-HSZRJFAPSA-N 1 0 391.515 3.656 20 30 GHEDRO C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000329589519 861715899 /nfs/dbraw/zinc/71/58/99/861715899.db2.gz ZKDGEUFYTNAHCG-CIQXWFTPSA-N 1 0 385.552 3.751 20 30 GHEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051582072 846814619 /nfs/dbraw/zinc/81/46/19/846814619.db2.gz NMWXZLYQKDFXQR-AOHZBQACSA-N 1 0 394.515 3.592 20 30 GHEDRO COc1cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(F)cc1C#N ZINC000599818939 861724630 /nfs/dbraw/zinc/72/46/30/861724630.db2.gz BPAFERKISKYCOU-UHFFFAOYSA-N 1 0 382.439 3.623 20 30 GHEDRO COc1cc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(F)cc1C#N ZINC000599818984 861724844 /nfs/dbraw/zinc/72/48/44/861724844.db2.gz CWNZEJVVBLAJOV-UHFFFAOYSA-N 1 0 396.466 3.535 20 30 GHEDRO COc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(F)cc1C#N ZINC000599820736 861731880 /nfs/dbraw/zinc/73/18/80/861731880.db2.gz YTOQDPUSIKKSQZ-KRWDZBQOSA-N 1 0 386.427 3.648 20 30 GHEDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC2(C1)Oc1ccccc1O2 ZINC000329598412 861734961 /nfs/dbraw/zinc/73/49/61/861734961.db2.gz JJZMJVBGYFIWNX-IBGZPJMESA-N 1 0 393.487 3.611 20 30 GHEDRO CC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1OCC(=O)N(C)C ZINC000179730834 861737557 /nfs/dbraw/zinc/73/75/57/861737557.db2.gz DBFOEZNASSXMNM-HXUWFJFHSA-N 1 0 384.907 3.899 20 30 GHEDRO C=C(C)[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(F)c1 ZINC000481569410 861748684 /nfs/dbraw/zinc/74/86/84/861748684.db2.gz KSVYPGBZNHSIGW-RTBURBONSA-N 1 0 387.386 3.885 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc2ccsc21)C(C)C ZINC000501669387 847092575 /nfs/dbraw/zinc/09/25/75/847092575.db2.gz YQGHUZQWAUNSKF-GOSISDBHSA-N 1 0 385.533 3.655 20 30 GHEDRO C=CCn1c(SCCN2CCO[C@@H](C)C2)nnc1-c1cccc(Cl)c1 ZINC000559995885 847181721 /nfs/dbraw/zinc/18/17/21/847181721.db2.gz CSWQLDMUVSUERN-AWEZNQCLSA-N 1 0 378.929 3.597 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431405160 847186999 /nfs/dbraw/zinc/18/69/99/847186999.db2.gz WJQVQFXEAHIPGF-APWZRJJASA-N 1 0 378.476 3.741 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000108299715 847255217 /nfs/dbraw/zinc/25/52/17/847255217.db2.gz NJKXJKSWXRSCFW-QGZVFWFLSA-N 1 0 379.435 3.704 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187761704 847291712 /nfs/dbraw/zinc/29/17/12/847291712.db2.gz DVZGCSOSSRSBGK-DNVCBOLYSA-N 1 0 378.375 3.520 20 30 GHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)nc1 ZINC000329614819 861779004 /nfs/dbraw/zinc/77/90/04/861779004.db2.gz FGFPDMFRNCVBRV-ZWKOTPCHSA-N 1 0 386.540 3.727 20 30 GHEDRO C[C@H]1C[C@H]1c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000604096165 861775977 /nfs/dbraw/zinc/77/59/77/861775977.db2.gz QIVWMRZODZYINH-OXJNMPFZSA-N 1 0 380.492 3.548 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000582492021 847403283 /nfs/dbraw/zinc/40/32/83/847403283.db2.gz GCDPPXWBMLRSCI-FQEVSTJZSA-N 1 0 377.488 3.850 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001167944504 847446331 /nfs/dbraw/zinc/44/63/31/847446331.db2.gz GFDDCMOBVKTUJW-QCXKMSLLSA-N 1 0 389.418 3.765 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000422215116 847473651 /nfs/dbraw/zinc/47/36/51/847473651.db2.gz HQCQOCHFUJFTFG-WMZOPIPTSA-N 1 0 382.533 3.814 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(C#N)s2)C[N@@H+]1Cc1ccccc1 ZINC000420883282 847503490 /nfs/dbraw/zinc/50/34/90/847503490.db2.gz HXCGIAUGARGLRV-FUHWJXTLSA-N 1 0 382.533 3.720 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000503236225 847519346 /nfs/dbraw/zinc/51/93/46/847519346.db2.gz UBNAMGBXPVKYLI-QFIPXVFZSA-N 1 0 376.504 3.867 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000429141345 861802064 /nfs/dbraw/zinc/80/20/64/861802064.db2.gz JFCMGHHLUFGDOX-JTSKRJEESA-N 1 0 397.544 3.904 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1 ZINC000429141346 861802598 /nfs/dbraw/zinc/80/25/98/861802598.db2.gz JFCMGHHLUFGDOX-VGOFRKELSA-N 1 0 397.544 3.904 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000429141347 861803521 /nfs/dbraw/zinc/80/35/21/861803521.db2.gz JFCMGHHLUFGDOX-VGSWGCGISA-N 1 0 397.544 3.904 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC2(c3ccc(Br)s3)CCC2)nn1 ZINC000657460547 847566889 /nfs/dbraw/zinc/56/68/89/847566889.db2.gz GHMBJXDPDKDIGW-UHFFFAOYSA-N 1 0 381.343 3.890 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000664324241 847763210 /nfs/dbraw/zinc/76/32/10/847763210.db2.gz WUZOZYRGQHMLEC-XMSQKQJNSA-N 1 0 385.552 3.577 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000503598138 847822940 /nfs/dbraw/zinc/82/29/40/847822940.db2.gz PXRQLCHJUCWDGX-SFHVURJKSA-N 1 0 388.581 3.741 20 30 GHEDRO COc1ccc(CCC(=O)N2CCC[N@H+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000277753925 847846721 /nfs/dbraw/zinc/84/67/21/847846721.db2.gz PWVQAQWAQCFACQ-UHFFFAOYSA-N 1 0 385.552 3.882 20 30 GHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000503704169 847910499 /nfs/dbraw/zinc/91/04/99/847910499.db2.gz TZHPBIZHAXXWPD-QFIPXVFZSA-N 1 0 385.508 3.791 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000502506254 847947677 /nfs/dbraw/zinc/94/76/77/847947677.db2.gz GMKOGWXQWWUMTP-UHFFFAOYSA-N 1 0 376.416 3.584 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502509489 847950477 /nfs/dbraw/zinc/95/04/77/847950477.db2.gz KJTRRDKHODVJCY-QZTJIDSGSA-N 1 0 379.451 3.690 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)ccc1OC ZINC000237332817 848040228 /nfs/dbraw/zinc/04/02/28/848040228.db2.gz NJCLYAWLKHVUKA-GOSISDBHSA-N 1 0 396.487 3.554 20 30 GHEDRO CC(C)[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC000480052273 848041028 /nfs/dbraw/zinc/04/10/28/848041028.db2.gz WPILCWIUZBMLIF-QFIPXVFZSA-N 1 0 379.552 3.949 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)C2CCC2)cc1OCC ZINC000657557724 848201289 /nfs/dbraw/zinc/20/12/89/848201289.db2.gz ZXERGCSVZSCNQP-INIZCTEOSA-N 1 0 384.314 3.663 20 30 GHEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CCCCC(C)(C)C#N)C(C)C)cc1 ZINC000277855813 848234388 /nfs/dbraw/zinc/23/43/88/848234388.db2.gz XVYFJLMSERNCEF-HXUWFJFHSA-N 1 0 389.540 3.815 20 30 GHEDRO Cc1nc(SCC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C#N)c(C)c1C ZINC000609506416 848400275 /nfs/dbraw/zinc/40/02/75/848400275.db2.gz VBBKAKAPDBINNV-OAHLLOKOSA-N 1 0 396.560 3.607 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NC3CC([NH+]4CCCCC4)C3)cc2)ccn1 ZINC000582815914 848460761 /nfs/dbraw/zinc/46/07/61/848460761.db2.gz HMQWCWIAUYPILO-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1[N+](=O)[O-] ZINC000153542998 848634605 /nfs/dbraw/zinc/63/46/05/848634605.db2.gz LMONVPZYRYKFNR-HNNXBMFYSA-N 1 0 395.463 3.580 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C1 ZINC000048828100 848663340 /nfs/dbraw/zinc/66/33/40/848663340.db2.gz SJILJOXBZCRINM-SFHVURJKSA-N 1 0 376.504 3.790 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(Cl)cc1 ZINC000582967920 848783708 /nfs/dbraw/zinc/78/37/08/848783708.db2.gz CHQJDKKHCHWEIK-WOJBJXKFSA-N 1 0 383.923 3.874 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000153823219 849040178 /nfs/dbraw/zinc/04/01/78/849040178.db2.gz YIERRHTZTNZGTN-IEBWSBKVSA-N 1 0 395.503 3.611 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)CC1 ZINC000731960214 861980232 /nfs/dbraw/zinc/98/02/32/861980232.db2.gz WIDPLXFGGBZFIE-HXUWFJFHSA-N 1 0 397.544 3.782 20 30 GHEDRO CC(C)(C#N)CCCC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000278145113 849379865 /nfs/dbraw/zinc/37/98/65/849379865.db2.gz NVVZPIXFUJGCGH-UHFFFAOYSA-N 1 0 376.932 3.616 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccc(C#N)cc1 ZINC000278165716 849460997 /nfs/dbraw/zinc/46/09/97/849460997.db2.gz CBDBKRIYTJDPJY-NRFANRHFSA-N 1 0 385.533 3.828 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)cc1 ZINC000499350025 862040896 /nfs/dbraw/zinc/04/08/96/862040896.db2.gz ZLNXBZWEZSMWAF-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080165106 849689677 /nfs/dbraw/zinc/68/96/77/849689677.db2.gz XGJDADLDQMZXSU-PGRDOPGGSA-N 1 0 376.504 3.753 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccsc1 ZINC000505527095 849792925 /nfs/dbraw/zinc/79/29/25/849792925.db2.gz RONKONRXSNFBIC-LJQANCHMSA-N 1 0 385.508 3.990 20 30 GHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]2CCCO2)c1 ZINC000434834321 849815850 /nfs/dbraw/zinc/81/58/50/849815850.db2.gz PPMMQKJPWRDGQS-QFIPXVFZSA-N 1 0 393.487 3.577 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000434868390 849855461 /nfs/dbraw/zinc/85/54/61/849855461.db2.gz LHSQTUASRQDKBB-RHSMWYFYSA-N 1 0 399.516 3.873 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000504066328 849862397 /nfs/dbraw/zinc/86/23/97/849862397.db2.gz FZKMHDQIJOSBCM-LJQANCHMSA-N 1 0 380.517 3.721 20 30 GHEDRO C[N@H+]1Cc2ccccc2[C@H](Nc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000536022990 849901538 /nfs/dbraw/zinc/90/15/38/849901538.db2.gz KAWKSRPHACEIRS-LJQANCHMSA-N 1 0 380.398 3.728 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481706001 862083486 /nfs/dbraw/zinc/08/34/86/862083486.db2.gz GTJQMCCOUIEECV-QPPBQGQZSA-N 1 0 379.500 3.676 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cc(C#N)ccc3F)cc2)C1 ZINC000465581277 862091643 /nfs/dbraw/zinc/09/16/43/862091643.db2.gz XXJNZXHNOJWSRF-QGZVFWFLSA-N 1 0 394.494 3.929 20 30 GHEDRO COCCC[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000506619993 850120764 /nfs/dbraw/zinc/12/07/64/850120764.db2.gz SNTUMJOTTZISGH-AZUAARDMSA-N 1 0 385.895 3.538 20 30 GHEDRO CON=Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000732160633 862096168 /nfs/dbraw/zinc/09/61/68/862096168.db2.gz APLXUPRWUSTXJO-UHFFFAOYSA-N 1 0 385.895 3.715 20 30 GHEDRO Cc1ccccc1-c1cc(NC(=O)[C@@H]([NH3+])CCCC#N)n(Cc2ccccc2)n1 ZINC000424082995 850205155 /nfs/dbraw/zinc/20/51/55/850205155.db2.gz MQEMWZJRTGKWLM-FQEVSTJZSA-N 1 0 387.487 3.867 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1OCC ZINC000668706320 850221655 /nfs/dbraw/zinc/22/16/55/850221655.db2.gz RHLXPKPXEYLYNN-HZPDHXFCSA-N 1 0 396.325 3.881 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC000424111856 850224879 /nfs/dbraw/zinc/22/48/79/850224879.db2.gz HJBPXEKIOQCOFC-OAHLLOKOSA-N 1 0 383.473 3.569 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000424112442 850225990 /nfs/dbraw/zinc/22/59/90/850225990.db2.gz JRUOVVABMYPOHD-SFTDATJTSA-N 1 0 390.487 3.624 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000518843621 850234601 /nfs/dbraw/zinc/23/46/01/850234601.db2.gz MBIMXTBZCGPPPK-QGZVFWFLSA-N 1 0 383.517 3.500 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000424141122 850245877 /nfs/dbraw/zinc/24/58/77/850245877.db2.gz OLVZADFDUDWAFG-VIFPVBQESA-N 1 0 385.312 3.594 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000426464332 850265610 /nfs/dbraw/zinc/26/56/10/850265610.db2.gz YANQOLGFBFYMGQ-MRXNPFEDSA-N 1 0 396.560 3.772 20 30 GHEDRO COc1ccccc1-c1csc(C2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)n1 ZINC000424186598 850267522 /nfs/dbraw/zinc/26/75/22/850267522.db2.gz IOQVWHQFQFVLBI-QGZVFWFLSA-N 1 0 398.532 3.546 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[N@H+](C)CC2)cc1OCC ZINC000435250043 850269479 /nfs/dbraw/zinc/26/94/79/850269479.db2.gz WZCUQNGUAAVANV-UHFFFAOYSA-N 1 0 383.330 3.550 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000732189785 862114350 /nfs/dbraw/zinc/11/43/50/862114350.db2.gz UHFRCIAEWBUNQD-MRXNPFEDSA-N 1 0 387.528 3.532 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000424253520 850313995 /nfs/dbraw/zinc/31/39/95/850313995.db2.gz SGHXHMCVTKGXME-SFHVURJKSA-N 1 0 375.586 3.877 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000424251787 850314435 /nfs/dbraw/zinc/31/44/35/850314435.db2.gz QURICDWKDZVHKY-NEWSRXKRSA-N 1 0 387.597 3.875 20 30 GHEDRO N#Cc1ccc(OCCCON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000732193903 862117688 /nfs/dbraw/zinc/11/76/88/862117688.db2.gz LTPLLMJUDXJTKA-UHFFFAOYSA-N 1 0 392.503 3.860 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)cc1 ZINC000518924268 850337080 /nfs/dbraw/zinc/33/70/80/850337080.db2.gz XWMWRQCIZLUSNH-SFHVURJKSA-N 1 0 375.472 3.759 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001269938351 850350437 /nfs/dbraw/zinc/35/04/37/850350437.db2.gz GAYHETYBRPPVJC-QHCPKHFHSA-N 1 0 378.516 3.975 20 30 GHEDRO C[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000518981378 850450684 /nfs/dbraw/zinc/45/06/84/850450684.db2.gz YTDSIBLEIMIPOS-GOSISDBHSA-N 1 0 392.503 3.593 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2cc(Cl)cc(C#N)c2)CC1 ZINC000487254653 850623037 /nfs/dbraw/zinc/62/30/37/850623037.db2.gz ZCCBCYOQFHLCNV-UHFFFAOYSA-N 1 0 397.906 3.633 20 30 GHEDRO c1ccn2c(c1)nnc2CCNC(NC1CCCCC1)=[NH+]CC1CCCCC1 ZINC000899893094 862150377 /nfs/dbraw/zinc/15/03/77/862150377.db2.gz JLGXDMZZWAANTF-UHFFFAOYSA-N 1 0 382.556 3.720 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000515057178 850633535 /nfs/dbraw/zinc/63/35/35/850633535.db2.gz SCHOYDXDFNZVGX-WMZOPIPTSA-N 1 0 381.524 3.539 20 30 GHEDRO C=CCC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000424698797 850647862 /nfs/dbraw/zinc/64/78/62/850647862.db2.gz CPPRQIVPNWVMRL-QHCPKHFHSA-N 1 0 382.548 3.874 20 30 GHEDRO C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487287794 850650299 /nfs/dbraw/zinc/65/02/99/850650299.db2.gz QFBGTGOVFCYAII-XMSQKQJNSA-N 1 0 393.556 3.818 20 30 GHEDRO C=CCOCCC(=O)N1CCC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001269983619 850666806 /nfs/dbraw/zinc/66/68/06/850666806.db2.gz ZGMUEHJBYXOWAA-SFHVURJKSA-N 1 0 376.463 3.626 20 30 GHEDRO C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000329702362 862157265 /nfs/dbraw/zinc/15/72/65/862157265.db2.gz HUVRSOWOKZEFOR-DBXWQHBBSA-N 1 0 385.552 3.705 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481736071 862157919 /nfs/dbraw/zinc/15/79/19/862157919.db2.gz IXUWBYJPHYOXDC-SFHVURJKSA-N 1 0 381.289 3.830 20 30 GHEDRO N#CC1(NC(=O)Cc2nsc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000515166839 850732196 /nfs/dbraw/zinc/73/21/96/850732196.db2.gz KKKQVRKSHZCRFJ-UHFFFAOYSA-N 1 0 390.512 3.513 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000435748844 850813796 /nfs/dbraw/zinc/81/37/96/850813796.db2.gz PZEARENYPMIDIR-PBHICJAKSA-N 1 0 382.298 3.681 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)CNc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000604446954 862185759 /nfs/dbraw/zinc/18/57/59/862185759.db2.gz LNMIYQPLPWHXED-QFIPXVFZSA-N 1 0 376.504 3.560 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000513868772 850975171 /nfs/dbraw/zinc/97/51/71/850975171.db2.gz ANNMYKBAKQSUNT-UHFFFAOYSA-N 1 0 392.503 3.739 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)c1 ZINC000543394624 851050681 /nfs/dbraw/zinc/05/06/81/851050681.db2.gz VHNTYVOHAGMPGA-UHFFFAOYSA-N 1 0 391.500 3.656 20 30 GHEDRO CC(C)(CCC#N)C[NH2+][C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000488003885 851058949 /nfs/dbraw/zinc/05/89/49/851058949.db2.gz CZSHYSAVODSECI-NRFANRHFSA-N 1 0 393.487 3.692 20 30 GHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000505741272 851087246 /nfs/dbraw/zinc/08/72/46/851087246.db2.gz CGGWKWXXBSHDLI-QHCPKHFHSA-N 1 0 399.535 3.550 20 30 GHEDRO CN(C(=O)C[N@H+](C)CCCOc1cccc(Cl)c1)C1(C#N)CCCCC1 ZINC000515555154 851168425 /nfs/dbraw/zinc/16/84/25/851168425.db2.gz USMZPGKDFDXRHT-UHFFFAOYSA-N 1 0 377.916 3.726 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000436219603 851334036 /nfs/dbraw/zinc/33/40/36/851334036.db2.gz NIQXSJUGUYNEGF-UHFFFAOYSA-N 1 0 381.451 3.878 20 30 GHEDRO CC[N@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488276339 851357670 /nfs/dbraw/zinc/35/76/70/851357670.db2.gz AVFXSQNDKUOZDP-KDOFPFPSSA-N 1 0 380.330 3.714 20 30 GHEDRO Cc1nc(C2CC2)oc1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000329722081 862237731 /nfs/dbraw/zinc/23/77/31/862237731.db2.gz AXCLQLBDHSHAGU-UHFFFAOYSA-N 1 0 375.513 3.979 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N(C)[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000425124989 851438081 /nfs/dbraw/zinc/43/80/81/851438081.db2.gz FTEXDGKOGQEMAV-HXUWFJFHSA-N 1 0 390.531 3.598 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910873439 851439605 /nfs/dbraw/zinc/43/96/05/851439605.db2.gz YEZJSIDNDNQEOL-UHFFFAOYSA-N 1 0 399.560 3.636 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CCN(Cc1c(F)cc(OCC)cc1F)C2 ZINC001143569247 851533734 /nfs/dbraw/zinc/53/37/34/851533734.db2.gz YCMAGQIDTAOSEL-LEWJYISDSA-N 1 0 381.463 3.937 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1(CO)CCC1 ZINC000550096105 851555620 /nfs/dbraw/zinc/55/56/20/851555620.db2.gz UNFSZVQWLJACFT-UZLBHIALSA-N 1 0 389.565 3.654 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000425538767 851567114 /nfs/dbraw/zinc/56/71/14/851567114.db2.gz MCUWSGZUWNHTKB-HMFYCAOWSA-N 1 0 376.504 3.924 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000488509360 851572596 /nfs/dbraw/zinc/57/25/96/851572596.db2.gz VNACBWJRGNWVRW-UTKZUKDTSA-N 1 0 379.529 3.677 20 30 GHEDRO CC[NH+]=C(NCCc1c[nH]c2c1cccc2C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261934973 851598084 /nfs/dbraw/zinc/59/80/84/851598084.db2.gz CETIYLYUBMQTRI-UWJYYQICSA-N 1 0 392.551 3.764 20 30 GHEDRO OCC1([C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C2CCOCC2)CCC1 ZINC000425545072 851611204 /nfs/dbraw/zinc/61/12/04/851611204.db2.gz QCCSXTCOCOTPDD-IBGZPJMESA-N 1 0 381.438 3.604 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000180640779 862263089 /nfs/dbraw/zinc/26/30/89/862263089.db2.gz JXVYSQSLIHYXNJ-PXNSSMCTSA-N 1 0 393.487 3.834 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C[C@@H]1CCCO1 ZINC000488639337 851668791 /nfs/dbraw/zinc/66/87/91/851668791.db2.gz FIHFSOBLBHKDNN-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO Cc1nc(C2(NC(=O)CC3([NH+]4CCOCC4)CCCC3)CCCCC2)no1 ZINC000329731133 862273405 /nfs/dbraw/zinc/27/34/05/862273405.db2.gz GNILWMBEHFKQGQ-UHFFFAOYSA-N 1 0 376.501 3.529 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1C ZINC000604552731 862274015 /nfs/dbraw/zinc/27/40/15/862274015.db2.gz SNBPTUSIGSOOQG-SFHVURJKSA-N 1 0 393.535 3.541 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCC#Cc2ccccc2)c2ccccc2)CC1 ZINC000517497939 852033844 /nfs/dbraw/zinc/03/38/44/852033844.db2.gz YFCXUTHRIXCASG-QHCPKHFHSA-N 1 0 375.516 3.811 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000550226808 852049715 /nfs/dbraw/zinc/04/97/15/852049715.db2.gz ISNYUKPUCBXALF-CYBMUJFWSA-N 1 0 383.452 3.624 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438177715 852094959 /nfs/dbraw/zinc/09/49/59/852094959.db2.gz LBDQZTBBVMRISS-YJBOKZPZSA-N 1 0 394.475 3.963 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000102037907 852104112 /nfs/dbraw/zinc/10/41/12/852104112.db2.gz RHGGKTLOQVTLMX-NRFANRHFSA-N 1 0 392.503 3.994 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438189890 852121334 /nfs/dbraw/zinc/12/13/34/852121334.db2.gz LMVAPKJDSXIRPA-LJQANCHMSA-N 1 0 378.476 3.553 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180768154 862328148 /nfs/dbraw/zinc/32/81/48/862328148.db2.gz HHWJMBVVKMLHFR-UHFFFAOYSA-N 1 0 383.442 3.724 20 30 GHEDRO N#Cc1ccc(CCC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000489273717 852177691 /nfs/dbraw/zinc/17/76/91/852177691.db2.gz DCMUQXLXUNFLSG-UHFFFAOYSA-N 1 0 377.488 3.994 20 30 GHEDRO COc1ccc(C)cc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000570411588 852192008 /nfs/dbraw/zinc/19/20/08/852192008.db2.gz PGSONWUNTHRMSS-UHFFFAOYSA-N 1 0 399.494 3.644 20 30 GHEDRO CCc1c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cnn1-c1ccccc1 ZINC000329803514 862331767 /nfs/dbraw/zinc/33/17/67/862331767.db2.gz LEUHBJPCJJUXJA-UHFFFAOYSA-N 1 0 381.524 3.931 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489355331 852263996 /nfs/dbraw/zinc/26/39/96/852263996.db2.gz FJLJNZKACVZUQU-GOSISDBHSA-N 1 0 393.487 3.829 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCc4nn(C)cc43)cc2)C[C@@H](C)O1 ZINC000329816189 862341701 /nfs/dbraw/zinc/34/17/01/862341701.db2.gz DVFVKCBEIWSNSF-MBOZVWFJSA-N 1 0 396.535 3.606 20 30 GHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc(OC)c1OC ZINC000438467998 852449214 /nfs/dbraw/zinc/44/92/14/852449214.db2.gz VHFLXMJCLBNZJI-UHFFFAOYSA-N 1 0 388.533 3.698 20 30 GHEDRO C=CCC(CC=C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507213542 852676395 /nfs/dbraw/zinc/67/63/95/852676395.db2.gz UFCXARPAXIONCR-QFIPXVFZSA-N 1 0 382.548 3.800 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc2n[nH]cc2c1 ZINC000507236640 852696395 /nfs/dbraw/zinc/69/63/95/852696395.db2.gz XYYAOVZBQWNLBT-CABCVRRESA-N 1 0 379.439 3.688 20 30 GHEDRO Cc1cc(F)cc(-n2cc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)nn2)c1 ZINC000329867125 862384137 /nfs/dbraw/zinc/38/41/37/862384137.db2.gz VNVMKOABCRMTGR-UHFFFAOYSA-N 1 0 385.487 3.674 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000507288178 852754514 /nfs/dbraw/zinc/75/45/14/852754514.db2.gz ZJSGNQADONBZNF-UHFFFAOYSA-N 1 0 384.483 3.862 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC000669032234 852767981 /nfs/dbraw/zinc/76/79/81/852767981.db2.gz DQXWKMDIVBPAKI-QUCCMNQESA-N 1 0 397.523 3.555 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414953251 852861709 /nfs/dbraw/zinc/86/17/09/852861709.db2.gz JMOBBJDLPDQZHS-BBRMVZONSA-N 1 0 383.330 3.500 20 30 GHEDRO N#Cc1cccc(-c2noc([C@@H](c3ccc4ccccc4c3)N3CC[NH2+]CC3)n2)c1 ZINC001211845655 852920635 /nfs/dbraw/zinc/92/06/35/852920635.db2.gz RWWAYOQITFPXTD-JOCHJYFZSA-N 1 0 395.466 3.756 20 30 GHEDRO Cc1ccc([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)c(C)c1 ZINC000329910231 862416885 /nfs/dbraw/zinc/41/68/85/862416885.db2.gz NBUKOVLVKCNXIJ-UEVCKROQSA-N 1 0 399.579 3.775 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)N3CCC(CCC#N)CC3)CC[N@@H+]2C2CC2)c1 ZINC000516864046 853093884 /nfs/dbraw/zinc/09/38/84/853093884.db2.gz MNIBVOXBBRDKNN-VXKWHMMOSA-N 1 0 396.535 3.698 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@](C)(O)CC2)C1 ZINC000329921625 862426477 /nfs/dbraw/zinc/42/64/77/862426477.db2.gz SRIZNMUFWMEOAP-SELNLUPBSA-N 1 0 387.568 3.815 20 30 GHEDRO COc1cc2[nH]c(CCC[NH2+]Cc3ccc(OC)c(C#N)c3)cc2c(OC)c1 ZINC000151138822 853105782 /nfs/dbraw/zinc/10/57/82/853105782.db2.gz OKUPPGCBUDQSRT-UHFFFAOYSA-N 1 0 379.460 3.788 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000507644680 853146947 /nfs/dbraw/zinc/14/69/47/853146947.db2.gz FVHCWOBPZMGTJI-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1 ZINC000550295710 853242264 /nfs/dbraw/zinc/24/22/64/853242264.db2.gz ILOBDBDJGGPBHB-HSZRJFAPSA-N 1 0 385.467 3.844 20 30 GHEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000282487650 862449771 /nfs/dbraw/zinc/44/97/71/862449771.db2.gz XHQMJSCEUXZDOW-KVULBXGLSA-N 1 0 383.945 3.619 20 30 GHEDRO C#CCOc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000732700860 862451449 /nfs/dbraw/zinc/45/14/49/862451449.db2.gz SNLRUNPRDIMPTI-UHFFFAOYSA-N 1 0 387.549 3.572 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000437639028 853369715 /nfs/dbraw/zinc/36/97/15/853369715.db2.gz HWONPPXXCHWADT-VXKWHMMOSA-N 1 0 385.552 3.699 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425854491 853402953 /nfs/dbraw/zinc/40/29/53/853402953.db2.gz KHZHGPLCOXUZMW-BDTNDASRSA-N 1 0 385.552 3.664 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@H]2CCO)sc2c1CCCCC2 ZINC000329970092 862467312 /nfs/dbraw/zinc/46/73/12/862467312.db2.gz WYBWXHXVENZVMC-CQSZACIVSA-N 1 0 393.578 3.667 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000506134522 853547386 /nfs/dbraw/zinc/54/73/86/853547386.db2.gz CDAARSKUVMKWSN-INIZCTEOSA-N 1 0 385.393 3.999 20 30 GHEDRO CCCc1c(NC(=O)N(C)CCC[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439378571 853603482 /nfs/dbraw/zinc/60/34/82/853603482.db2.gz ZKGKGVTUNWUNAQ-UHFFFAOYSA-N 1 0 394.523 3.646 20 30 GHEDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000519917702 853607182 /nfs/dbraw/zinc/60/71/82/853607182.db2.gz FFDVYPSZFGMYGB-GOSISDBHSA-N 1 0 389.293 3.583 20 30 GHEDRO CC(C)NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc2c(c1)CCCC2 ZINC000055009589 853627913 /nfs/dbraw/zinc/62/79/13/853627913.db2.gz ZXFVTAIKYIFCNC-UHFFFAOYSA-O 1 0 398.508 3.698 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000055011138 853627957 /nfs/dbraw/zinc/62/79/57/853627957.db2.gz DPUUUHRSQAOKJZ-UHFFFAOYSA-O 1 0 384.569 3.787 20 30 GHEDRO CC(C)c1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(CO)c2)cc1 ZINC000055014504 853630653 /nfs/dbraw/zinc/63/06/53/853630653.db2.gz CVQYQGFTJDGSCO-UHFFFAOYSA-O 1 0 385.553 3.917 20 30 GHEDRO N#CCCn1cc(C[N@@H+](CCO)Cc2cccc(F)c2)c(-c2ccccc2)n1 ZINC000426382004 853656832 /nfs/dbraw/zinc/65/68/32/853656832.db2.gz OPGPHIASNFPLSG-UHFFFAOYSA-N 1 0 378.451 3.597 20 30 GHEDRO CC(C)NC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(N(C)C)cc1 ZINC000044557444 853657478 /nfs/dbraw/zinc/65/74/78/853657478.db2.gz KGIALSQVCZOUEG-UHFFFAOYSA-O 1 0 396.580 3.856 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[N@@H+]1C1CC1 ZINC000440930241 853761634 /nfs/dbraw/zinc/76/16/34/853761634.db2.gz GFIWFRXLVFNLGA-QFBILLFUSA-N 1 0 375.472 3.900 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000623889134 862503357 /nfs/dbraw/zinc/50/33/57/862503357.db2.gz DQGUMXKDPDNDJI-SFHVURJKSA-N 1 0 399.560 3.788 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571222967 853808125 /nfs/dbraw/zinc/80/81/25/853808125.db2.gz OOCKLSVOCSAHQS-HXUWFJFHSA-N 1 0 377.488 3.854 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NCC1CCC(C#N)CC1 ZINC000441004500 853809716 /nfs/dbraw/zinc/80/97/16/853809716.db2.gz QJORRVTXXRVXBZ-UHFFFAOYSA-N 1 0 386.540 3.536 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](C)[C@@H](C)C2)c1=S ZINC000159943759 853878940 /nfs/dbraw/zinc/87/89/40/853878940.db2.gz PRLKEZHHAZFTOB-ROUUACIJSA-N 1 0 377.602 3.564 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(C#N)ccc3C)CC2)cc1 ZINC000058451072 862516501 /nfs/dbraw/zinc/51/65/01/862516501.db2.gz WTPXUTFQWICMJX-UHFFFAOYSA-N 1 0 392.503 3.909 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc(C#N)c1 ZINC000588150790 854145075 /nfs/dbraw/zinc/14/50/75/854145075.db2.gz BGJMDXGZWZFOJJ-NTKDMRAZSA-N 1 0 388.515 3.927 20 30 GHEDRO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520391504 854166401 /nfs/dbraw/zinc/16/64/01/854166401.db2.gz VMEGNADBHZBSCW-HXUWFJFHSA-N 1 0 386.455 3.560 20 30 GHEDRO C=CCn1c(C)nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1=S ZINC000164788353 854292881 /nfs/dbraw/zinc/29/28/81/854292881.db2.gz ICEXDBRVMZJXGE-NHCUHLMSSA-N 1 0 397.592 3.853 20 30 GHEDRO C[C@H]1[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000588672587 854319301 /nfs/dbraw/zinc/31/93/01/854319301.db2.gz KJDMBLAZLJBCRM-MGPUTAFESA-N 1 0 382.895 3.674 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000588672592 854319585 /nfs/dbraw/zinc/31/95/85/854319585.db2.gz KJDMBLAZLJBCRM-QRWLVFNGSA-N 1 0 382.895 3.674 20 30 GHEDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CCCc2c[nH]nc21 ZINC000330088483 862564500 /nfs/dbraw/zinc/56/45/00/862564500.db2.gz UTGZHFVZDLFYFU-FQEVSTJZSA-N 1 0 381.524 3.867 20 30 GHEDRO CC(C)[C@@H](C(=O)NCc1nc2cc(Br)cnc2[nH]1)[NH+]1CCCCC1 ZINC000328616317 854483580 /nfs/dbraw/zinc/48/35/80/854483580.db2.gz SJMUASQHULBVGP-HNNXBMFYSA-N 1 0 394.317 3.687 20 30 GHEDRO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000328743745 854525458 /nfs/dbraw/zinc/52/54/58/854525458.db2.gz ONPKERPBPCQRGN-QIJUGHKUSA-N 1 0 397.563 3.892 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1COc3ccccc3O1)c1ccccc1O2 ZINC000328811915 854545117 /nfs/dbraw/zinc/54/51/17/854545117.db2.gz BBJDQLDUOCRQLR-UWJYYQICSA-N 1 0 394.471 3.771 20 30 GHEDRO O=C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328820617 854550349 /nfs/dbraw/zinc/55/03/49/854550349.db2.gz HOMVJYORKXZXMT-QPRVAFDKSA-N 1 0 389.540 3.574 20 30 GHEDRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328828988 854563618 /nfs/dbraw/zinc/56/36/18/854563618.db2.gz UKCQBXTXWGQXGO-DVOMOZLQSA-N 1 0 383.945 3.739 20 30 GHEDRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328828991 854563710 /nfs/dbraw/zinc/56/37/10/854563710.db2.gz UKCQBXTXWGQXGO-XJKCOSOUSA-N 1 0 383.945 3.739 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000588890111 854578832 /nfs/dbraw/zinc/57/88/32/854578832.db2.gz DIGLXVVVHFSWAN-GOSISDBHSA-N 1 0 399.560 3.887 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCc3c2cccc3O)CC1 ZINC000328903993 854589143 /nfs/dbraw/zinc/58/91/43/854589143.db2.gz IRGMLNMRPUHTNP-GOSISDBHSA-N 1 0 380.492 3.548 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC)cc1 ZINC000165011567 854612727 /nfs/dbraw/zinc/61/27/27/854612727.db2.gz PTXBANKNCGJKQC-UHFFFAOYSA-N 1 0 383.517 3.968 20 30 GHEDRO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C2CC2)cc1 ZINC000328965489 854635317 /nfs/dbraw/zinc/63/53/17/854635317.db2.gz MKGJILRXHKVHQT-PABCKOPISA-N 1 0 386.536 3.655 20 30 GHEDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc(Br)c1OC ZINC000330467728 854672927 /nfs/dbraw/zinc/67/29/27/854672927.db2.gz JORBWNMURJIDPQ-CYBMUJFWSA-N 1 0 399.329 3.891 20 30 GHEDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000330466821 854673237 /nfs/dbraw/zinc/67/32/37/854673237.db2.gz IARMBCIKRWVRNH-UHFFFAOYSA-N 1 0 384.274 3.702 20 30 GHEDRO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000330123475 862594130 /nfs/dbraw/zinc/59/41/30/862594130.db2.gz HPYQYGFKOCVQFW-NFBKMPQASA-N 1 0 393.535 3.689 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)c1 ZINC000589128755 854704606 /nfs/dbraw/zinc/70/46/06/854704606.db2.gz JGKQYECVPUWESX-SFHVURJKSA-N 1 0 376.460 3.917 20 30 GHEDRO COCCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1Cl ZINC000330857169 854759877 /nfs/dbraw/zinc/75/98/77/854759877.db2.gz QGEMBCLHTRGVHR-NWDGAFQWSA-N 1 0 390.311 3.589 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2cccc(C(F)F)c2Cl)CC[N@@H+]1C[C@H](C)O ZINC000330851125 854766225 /nfs/dbraw/zinc/76/62/25/854766225.db2.gz NKZNQXIBVRMZLY-NWDGAFQWSA-N 1 0 375.847 3.600 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)C[C@H]1C ZINC000330989148 854792297 /nfs/dbraw/zinc/79/22/97/854792297.db2.gz RUIPJDYNXOHRIH-WBVHZDCISA-N 1 0 375.513 3.947 20 30 GHEDRO COc1cc(F)c([C@H](C)NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC000331297243 854839839 /nfs/dbraw/zinc/83/98/39/854839839.db2.gz APABWEAABJRZJP-UGSOOPFHSA-N 1 0 381.492 3.528 20 30 GHEDRO COc1c(Cl)cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000331297527 854840132 /nfs/dbraw/zinc/84/01/32/854840132.db2.gz SQDYDLDUUGTMGP-HNNXBMFYSA-N 1 0 378.325 3.765 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)C[C@H]1C ZINC000330142546 862610503 /nfs/dbraw/zinc/61/05/03/862610503.db2.gz YITAXFRLMZCOKS-CEXWTWQISA-N 1 0 389.540 3.985 20 30 GHEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1cccc(C#N)n1)Cc1ccccc1 ZINC000589456109 854884157 /nfs/dbraw/zinc/88/41/57/854884157.db2.gz BHDNSTFWXJIQAG-UHFFFAOYSA-N 1 0 384.483 3.728 20 30 GHEDRO CC(C)([C@@H](NC(=O)c1cccc(C#N)n1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000589791739 855146088 /nfs/dbraw/zinc/14/60/88/855146088.db2.gz AZQRXAJBPBKFHZ-IBGZPJMESA-N 1 0 384.430 3.577 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000056983266 855155519 /nfs/dbraw/zinc/15/55/19/855155519.db2.gz BHSLKSXDUMXICH-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000590053381 855264400 /nfs/dbraw/zinc/26/44/00/855264400.db2.gz VBTXYBLSXMTMGS-APWZRJJASA-N 1 0 381.476 3.792 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)c2ccccc2c1 ZINC000590112349 855283663 /nfs/dbraw/zinc/28/36/63/855283663.db2.gz JFPRRBOVUJEKAG-UHFFFAOYSA-N 1 0 388.309 3.910 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)ccc1OC ZINC000237405774 862671046 /nfs/dbraw/zinc/67/10/46/862671046.db2.gz VKPSYPQSCRBPKG-JOCHJYFZSA-N 1 0 396.531 3.813 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C#N ZINC000123061103 855390710 /nfs/dbraw/zinc/39/07/10/855390710.db2.gz XSTJPUISURXGIV-UZLBHIALSA-N 1 0 399.583 3.835 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000056016052 855454599 /nfs/dbraw/zinc/45/45/99/855454599.db2.gz BSCFDGIKAYWIOB-UHFFFAOYSA-N 1 0 380.879 3.897 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1F ZINC000590663104 855537695 /nfs/dbraw/zinc/53/76/95/855537695.db2.gz BGOSWNQKXGOYOD-ZWKOTPCHSA-N 1 0 391.446 3.784 20 30 GHEDRO N#Cc1cc2c(nc1N[C@@H]1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCOC2 ZINC000590696928 855551597 /nfs/dbraw/zinc/55/15/97/855551597.db2.gz NBAZXVKEJRGTJT-RZFNWQHOSA-N 1 0 388.515 3.739 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000590803679 855595730 /nfs/dbraw/zinc/59/57/30/855595730.db2.gz IJQDKKMGDSPNCT-UHFFFAOYSA-N 1 0 381.480 3.987 20 30 GHEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000520533692 855604459 /nfs/dbraw/zinc/60/44/59/855604459.db2.gz DOPOQRUWCXXLCJ-QGZVFWFLSA-N 1 0 382.483 3.574 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400577 855634778 /nfs/dbraw/zinc/63/47/78/855634778.db2.gz VUAFCHBPSKDPKS-JXFKEZNVSA-N 1 0 378.944 3.899 20 30 GHEDRO N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1Cl ZINC000301231935 855644821 /nfs/dbraw/zinc/64/48/21/855644821.db2.gz FUMPWVTZVUAEFQ-SFHVURJKSA-N 1 0 382.895 3.521 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000590885078 855646606 /nfs/dbraw/zinc/64/66/06/855646606.db2.gz OKDKDHKNNSMNMZ-UHFFFAOYSA-N 1 0 398.894 3.735 20 30 GHEDRO CSC[C@@H]1CCC[N@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000330267711 862707047 /nfs/dbraw/zinc/70/70/47/862707047.db2.gz IFVSQNACFCMUTH-QGZVFWFLSA-N 1 0 395.613 3.589 20 30 GHEDRO N#Cc1cc(NCC2([NH+]3CCSCC3)CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301363258 855680255 /nfs/dbraw/zinc/68/02/55/855680255.db2.gz MQRHYRYRVVGWPD-UHFFFAOYSA-N 1 0 397.504 3.788 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(Nc3ccc(C#N)cc3[N+](=O)[O-])cc2)CC1 ZINC000301384264 855683883 /nfs/dbraw/zinc/68/38/83/855683883.db2.gz UTARZWAGZNDLDR-UHFFFAOYSA-N 1 0 379.464 3.988 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000573047474 855703133 /nfs/dbraw/zinc/70/31/33/855703133.db2.gz MITYUIKQKUZCHM-UYAOXDASSA-N 1 0 395.551 3.894 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@](C)(CO)c3ccccc3)sc2C1 ZINC000591014004 855722085 /nfs/dbraw/zinc/72/20/85/855722085.db2.gz KMMSQTYWSRZZGI-QRQCRPRQSA-N 1 0 397.544 3.570 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000301699127 855743441 /nfs/dbraw/zinc/74/34/41/855743441.db2.gz DRSIHVLKHICAOJ-AVRDEDQJSA-N 1 0 376.460 3.957 20 30 GHEDRO CCc1nnc(N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c(C#N)c1CC ZINC000301879685 855774455 /nfs/dbraw/zinc/77/44/55/855774455.db2.gz JSNJKNXNIHJTSX-VQTJNVASSA-N 1 0 399.926 3.610 20 30 GHEDRO N#Cc1ccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301879448 855774988 /nfs/dbraw/zinc/77/49/88/855774988.db2.gz OZKHYRFTKBLCLF-IAGOWNOFSA-N 1 0 375.394 3.624 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301885843 855775507 /nfs/dbraw/zinc/77/55/07/855775507.db2.gz PNMGLBYSKWQRNM-RBUKOAKNSA-N 1 0 392.890 3.807 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(NCc3ccnc(OCC[NH+](C)C)c3)c2c1 ZINC000301887024 855776187 /nfs/dbraw/zinc/77/61/87/855776187.db2.gz PGIUKOQSQPAGQB-UHFFFAOYSA-N 1 0 375.476 3.671 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302004481 855799217 /nfs/dbraw/zinc/79/92/17/855799217.db2.gz KGJPYJUIZBGHQI-OAHLLOKOSA-N 1 0 375.432 3.947 20 30 GHEDRO N#Cc1c(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccccn12 ZINC000302070400 855811836 /nfs/dbraw/zinc/81/18/36/855811836.db2.gz DXDOIGZCQYUFAS-UHFFFAOYSA-N 1 0 399.420 3.937 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC4(CC[NH2+]CC4)CC3)cn2)cc1 ZINC000591277238 855880257 /nfs/dbraw/zinc/88/02/57/855880257.db2.gz KMVPCQQMYXWAIO-UHFFFAOYSA-N 1 0 391.475 3.743 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591284910 855883935 /nfs/dbraw/zinc/88/39/35/855883935.db2.gz VLZPDMQUUBQHRT-UHFFFAOYSA-N 1 0 378.476 3.791 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000591284654 855883992 /nfs/dbraw/zinc/88/39/92/855883992.db2.gz ZIZCEKAYIWJILC-INIZCTEOSA-N 1 0 380.448 3.623 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC000591287879 855884985 /nfs/dbraw/zinc/88/49/85/855884985.db2.gz XPWVOTUMCUNABN-GJZGRUSLSA-N 1 0 380.414 3.821 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1F ZINC000591288186 855885764 /nfs/dbraw/zinc/88/57/64/855885764.db2.gz UMSGKJXZJANPGG-KDOFPFPSSA-N 1 0 380.423 3.705 20 30 GHEDRO N#CC1CCN(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000057992762 855889891 /nfs/dbraw/zinc/88/98/91/855889891.db2.gz WLBDHKFAOQIREN-UHFFFAOYSA-N 1 0 394.441 3.615 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000591306536 855900581 /nfs/dbraw/zinc/90/05/81/855900581.db2.gz CRTSOKXLLHEOSS-GJZGRUSLSA-N 1 0 391.313 3.564 20 30 GHEDRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000542811110 855969375 /nfs/dbraw/zinc/96/93/75/855969375.db2.gz CTMOYYSUTQRVOF-FUHWJXTLSA-N 1 0 380.517 3.740 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000303003822 855996165 /nfs/dbraw/zinc/99/61/65/855996165.db2.gz VFYMSFDYIYROSA-LJQANCHMSA-N 1 0 383.561 3.864 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 ZINC000520682693 856011395 /nfs/dbraw/zinc/01/13/95/856011395.db2.gz ISIGOGLBICGMHH-UHFFFAOYSA-N 1 0 390.487 3.903 20 30 GHEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000482161636 862757820 /nfs/dbraw/zinc/75/78/20/862757820.db2.gz FGKCEUJNDRAMTR-NRFANRHFSA-N 1 0 398.938 3.896 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(c3ccc(F)cc3)CCCC2)c1 ZINC000554798017 856137022 /nfs/dbraw/zinc/13/70/22/856137022.db2.gz IOIQDQNRIZOSAG-UHFFFAOYSA-N 1 0 386.492 3.573 20 30 GHEDRO O[C@@H](CC[C@H](O)c1ccccc1)C[NH2+]CC#Cc1cccc(C(F)(F)F)c1 ZINC000905026260 856137707 /nfs/dbraw/zinc/13/77/07/856137707.db2.gz RLPYEUREOWAYPZ-PMACEKPBSA-N 1 0 377.406 3.521 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC000171603210 856202189 /nfs/dbraw/zinc/20/21/89/856202189.db2.gz VKNMQVLAVJOJKE-UHFFFAOYSA-N 1 0 392.341 3.778 20 30 GHEDRO C[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccncc2)cc1 ZINC001168657645 856229154 /nfs/dbraw/zinc/22/91/54/856229154.db2.gz PFJCSGNAFMTLPM-SFHVURJKSA-N 1 0 395.462 3.699 20 30 GHEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc(-c3ccccc3C#N)cc2)O1 ZINC000554847026 856241884 /nfs/dbraw/zinc/24/18/84/856241884.db2.gz OENDPTDDXQGBDO-PMQPGWGVSA-N 1 0 390.483 3.909 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000171721177 856242290 /nfs/dbraw/zinc/24/22/90/856242290.db2.gz IAXIRGWPMSYDJG-UHFFFAOYSA-N 1 0 382.508 3.559 20 30 GHEDRO Cc1cc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(C)c(C)c1C#N ZINC001128712028 856246662 /nfs/dbraw/zinc/24/66/62/856246662.db2.gz BTKLHCCAZLHPGZ-CTNGQTDRSA-N 1 0 394.519 3.637 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485235185 856266589 /nfs/dbraw/zinc/26/65/89/856266589.db2.gz VDTXMDHAUAJNBX-UZLBHIALSA-N 1 0 393.487 3.812 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190835411 856294523 /nfs/dbraw/zinc/29/45/23/856294523.db2.gz BVFCLENGZWMAOI-HSZRJFAPSA-N 1 0 393.531 3.675 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)CC1 ZINC000171907746 856305237 /nfs/dbraw/zinc/30/52/37/856305237.db2.gz PRLJTIMPNJDYRL-UHFFFAOYSA-N 1 0 384.499 3.846 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C#N ZINC000543559005 862782617 /nfs/dbraw/zinc/78/26/17/862782617.db2.gz OJMPPSHURNDZEC-GHTZIAJQSA-N 1 0 382.435 3.836 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164131608 856333627 /nfs/dbraw/zinc/33/36/27/856333627.db2.gz AFMYUQPWGWRHCV-RHSMWYFYSA-N 1 0 382.426 3.827 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000172131950 856346251 /nfs/dbraw/zinc/34/62/51/856346251.db2.gz MZRNBKPEEIYBPH-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO C#Cc1cccc(NC(=S)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000905545966 856379259 /nfs/dbraw/zinc/37/92/59/856379259.db2.gz PWVSJXITAFKVLJ-NRFANRHFSA-N 1 0 376.529 3.761 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000109849761 856380791 /nfs/dbraw/zinc/38/07/91/856380791.db2.gz WPYAVBRXQHJNLZ-KRWDZBQOSA-N 1 0 395.528 3.822 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)cc1 ZINC000507832995 856543542 /nfs/dbraw/zinc/54/35/42/856543542.db2.gz FRKFGKHIFBEARM-UHFFFAOYSA-N 1 0 380.444 3.599 20 30 GHEDRO C=CCSc1ccccc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000485469228 856631619 /nfs/dbraw/zinc/63/16/19/856631619.db2.gz UIQNCKRSQHYJFR-UHFFFAOYSA-N 1 0 397.500 3.687 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(CC#N)cc1 ZINC000592044802 856636430 /nfs/dbraw/zinc/63/64/30/856636430.db2.gz NMFZKQMKGZRZIP-LJQANCHMSA-N 1 0 376.504 3.559 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000172849731 856636326 /nfs/dbraw/zinc/63/63/26/856636326.db2.gz ZFLHPESYEZDRIP-OALUTQOASA-N 1 0 383.442 3.530 20 30 GHEDRO C[C@@H]1CN(Cc2csc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)n2)C[C@@H](C)O1 ZINC000330308222 862824120 /nfs/dbraw/zinc/82/41/20/862824120.db2.gz SQCLDINQTZRQLT-BFYDXBDKSA-N 1 0 380.558 3.605 20 30 GHEDRO COc1cncc(/C=C/CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000592099500 856642972 /nfs/dbraw/zinc/64/29/72/856642972.db2.gz ATNZDEGNGCJMKB-WYAMSBGYSA-N 1 0 380.467 3.515 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2csc(-c3ccc(OCCC)cc3)n2)CC1 ZINC000592069198 856651966 /nfs/dbraw/zinc/65/19/66/856651966.db2.gz OBSCVMBVKBANQD-UHFFFAOYSA-N 1 0 385.533 3.979 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)CC1 ZINC000592080185 856653161 /nfs/dbraw/zinc/65/31/61/856653161.db2.gz NIJMUUZGBOVLQO-OALUTQOASA-N 1 0 397.563 3.710 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000465860581 856663574 /nfs/dbraw/zinc/66/35/74/856663574.db2.gz NYYXXIXQLDRNQB-OAHLLOKOSA-N 1 0 384.307 3.767 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1)c1ccccc1 ZINC000592175335 856699071 /nfs/dbraw/zinc/69/90/71/856699071.db2.gz RGMHLKRWUMYNQT-HSZRJFAPSA-N 1 0 389.499 3.593 20 30 GHEDRO N#C[C@]1(F)CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000592278301 856733949 /nfs/dbraw/zinc/73/39/49/856733949.db2.gz FQEQXTJTJVRDAL-LJQANCHMSA-N 1 0 376.501 3.734 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592175295 856774296 /nfs/dbraw/zinc/77/42/96/856774296.db2.gz LWDZLTBSZNZZLC-IBGZPJMESA-N 1 0 381.501 3.608 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCCOC)c(Cl)c2)CC1 ZINC000592336250 856792749 /nfs/dbraw/zinc/79/27/49/856792749.db2.gz YJZFFKKNSXMXAS-UHFFFAOYSA-N 1 0 381.904 3.527 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)CC1 ZINC000592351604 856797982 /nfs/dbraw/zinc/79/79/82/856797982.db2.gz FSBVRXVXXWIMGQ-IBGZPJMESA-N 1 0 396.579 3.652 20 30 GHEDRO N#CCN(C(=O)CS[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000592354848 856800341 /nfs/dbraw/zinc/80/03/41/856800341.db2.gz NLDWYNVDYHIJMY-NRFANRHFSA-N 1 0 379.529 3.941 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCCCC)c(OC)c2)CC1 ZINC000592498070 856902263 /nfs/dbraw/zinc/90/22/63/856902263.db2.gz AJCKOIOTAJTPOS-KRWDZBQOSA-N 1 0 389.540 3.885 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000592524198 856919337 /nfs/dbraw/zinc/91/93/37/856919337.db2.gz XWMGWQXZKJDKIC-QHCPKHFHSA-N 1 0 375.516 3.994 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000111460178 856921811 /nfs/dbraw/zinc/92/18/11/856921811.db2.gz HWGMQVPJEIKGRK-UHFFFAOYSA-N 1 0 397.494 3.854 20 30 GHEDRO O=c1[nH]c2ccccc2cc1C=NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000760980414 856930310 /nfs/dbraw/zinc/93/03/10/856930310.db2.gz MVGPGOHQTIODLZ-IYHCKTHZSA-N 1 0 377.513 3.977 20 30 GHEDRO Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000330314275 862862243 /nfs/dbraw/zinc/86/22/43/862862243.db2.gz PCGOKLUTKRQCKQ-BDTNDASRSA-N 1 0 385.552 3.732 20 30 GHEDRO C[NH+](C)CCn1ncc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1-c1ccccc1 ZINC000485725261 856997908 /nfs/dbraw/zinc/99/79/08/856997908.db2.gz BWSCJYYHYDVCTE-UHFFFAOYSA-N 1 0 393.878 3.889 20 30 GHEDRO C#CCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000733328105 862867438 /nfs/dbraw/zinc/86/74/38/862867438.db2.gz NUMQCIZTJJMBBW-UHFFFAOYSA-N 1 0 385.529 3.560 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc(OC)c1O ZINC000733325581 862867625 /nfs/dbraw/zinc/86/76/25/862867625.db2.gz KSZDYVODWWBROS-OAHLLOKOSA-N 1 0 382.460 3.937 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000733325419 862868433 /nfs/dbraw/zinc/86/84/33/862868433.db2.gz LSYIGSXPLYQOIJ-UHFFFAOYSA-N 1 0 393.878 3.845 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888410003 857105467 /nfs/dbraw/zinc/10/54/67/857105467.db2.gz XXAUJBNHYQUXTM-UHFFFAOYSA-N 1 0 399.854 3.542 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001128975184 857135310 /nfs/dbraw/zinc/13/53/10/857135310.db2.gz UUGBOMFAMDJYQF-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCc3cc(C#N)ccc3F)c2)CC1 ZINC000465945093 857179383 /nfs/dbraw/zinc/17/93/83/857179383.db2.gz WFOVRFREKQIJLR-UHFFFAOYSA-N 1 0 394.494 3.929 20 30 GHEDRO CC1CC[NH+]([C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)c2cccs2)CC1 ZINC000552911112 857187492 /nfs/dbraw/zinc/18/74/92/857187492.db2.gz LGRZRCNXXAXJNR-QGZVFWFLSA-N 1 0 385.493 3.995 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173964229 857188159 /nfs/dbraw/zinc/18/81/59/857188159.db2.gz HRVROTOKTHXDOQ-LSDHHAIUSA-N 1 0 384.411 3.720 20 30 GHEDRO C[C@H](CO)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000593082859 857317841 /nfs/dbraw/zinc/31/78/41/857317841.db2.gz ISOQXPPQMAHATF-OAHLLOKOSA-N 1 0 389.565 3.558 20 30 GHEDRO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000593076433 857338104 /nfs/dbraw/zinc/33/81/04/857338104.db2.gz CEDJJWLOFSYHCX-OXJNMPFZSA-N 1 0 380.492 3.788 20 30 GHEDRO C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000441913343 857353000 /nfs/dbraw/zinc/35/30/00/857353000.db2.gz XNZAJPKUVSKTRR-KRWDZBQOSA-N 1 0 396.535 3.540 20 30 GHEDRO C[NH+]1CCC(CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000486085778 857405822 /nfs/dbraw/zinc/40/58/22/857405822.db2.gz FXDYQXBEHVHGHQ-QFIPXVFZSA-N 1 0 377.488 3.678 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000042807115 857441673 /nfs/dbraw/zinc/44/16/73/857441673.db2.gz MNKCGDDNPJOAPC-INIZCTEOSA-N 1 0 398.457 3.815 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)NCC1(C#N)CCCC1)[NH+]1CCCCC1 ZINC000593315981 857469460 /nfs/dbraw/zinc/46/94/60/857469460.db2.gz NYGWJEUKNAMCNQ-IBGZPJMESA-N 1 0 384.524 3.605 20 30 GHEDRO C=C(CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000672670568 857574340 /nfs/dbraw/zinc/57/43/40/857574340.db2.gz HIYKDTRXTZAYKC-QFIPXVFZSA-N 1 0 379.504 3.845 20 30 GHEDRO N#Cc1ccccc1N1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000063915936 857672881 /nfs/dbraw/zinc/67/28/81/857672881.db2.gz UVSRGYKYDDOLGI-UHFFFAOYSA-N 1 0 388.515 3.507 20 30 GHEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000521194421 857739466 /nfs/dbraw/zinc/73/94/66/857739466.db2.gz QECJGXAWMYJGHG-QFIPXVFZSA-N 1 0 377.488 3.800 20 30 GHEDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000113937245 857795360 /nfs/dbraw/zinc/79/53/60/857795360.db2.gz ATGHSYUHPUIGCB-CVEARBPZSA-N 1 0 389.565 3.822 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000922094900 857811554 /nfs/dbraw/zinc/81/15/54/857811554.db2.gz NXGNSPJCXVVAKL-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO N#CCCCCC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000593986880 857817925 /nfs/dbraw/zinc/81/79/25/857817925.db2.gz JWKPJCDOAPKWPT-GOSISDBHSA-N 1 0 381.442 3.983 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000907872500 857832829 /nfs/dbraw/zinc/83/28/29/857832829.db2.gz MBUADFSJKUMDFJ-VOTSOKGWSA-N 1 0 394.437 3.655 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000466048890 858012284 /nfs/dbraw/zinc/01/22/84/858012284.db2.gz JYNDLUBZXYHUSS-XJKSGUPXSA-N 1 0 398.320 3.769 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000594317860 858038875 /nfs/dbraw/zinc/03/88/75/858038875.db2.gz CHWCFMMYVMYIIT-UHFFFAOYSA-N 1 0 399.579 3.850 20 30 GHEDRO CN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480611 858054569 /nfs/dbraw/zinc/05/45/69/858054569.db2.gz LIIBMUSMGGAXHQ-UHFFFAOYSA-N 1 0 396.922 3.747 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000521483465 858055031 /nfs/dbraw/zinc/05/50/31/858055031.db2.gz GRBWWGIPHBDFJG-JOCHJYFZSA-N 1 0 397.519 3.697 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1cccs1 ZINC000114604840 858122456 /nfs/dbraw/zinc/12/24/56/858122456.db2.gz IUAQWSMGFZYHEG-UHFFFAOYSA-N 1 0 384.549 3.671 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000574632107 858124186 /nfs/dbraw/zinc/12/41/86/858124186.db2.gz NRKPODSMPYWEJM-JXFKEZNVSA-N 1 0 388.414 3.567 20 30 GHEDRO COc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)cc1Cl ZINC000594428278 858174457 /nfs/dbraw/zinc/17/44/57/858174457.db2.gz XKDHQXXCECYCPG-ZDUSSCGKSA-N 1 0 378.885 3.822 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000594434879 858176292 /nfs/dbraw/zinc/17/62/92/858176292.db2.gz VIWWBLFUVCZAPT-IRLDBZIGSA-N 1 0 377.488 3.628 20 30 GHEDRO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000594434574 858177376 /nfs/dbraw/zinc/17/73/76/858177376.db2.gz PIYIJVNKYYAZTD-GJZGRUSLSA-N 1 0 396.354 3.856 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000594441661 858178215 /nfs/dbraw/zinc/17/82/15/858178215.db2.gz UKTBECWUTINDND-QGZVFWFLSA-N 1 0 379.439 3.643 20 30 GHEDRO CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)Cc1cccc(Br)c1 ZINC000594444419 858179074 /nfs/dbraw/zinc/17/90/74/858179074.db2.gz LVOGHENEDOHPPY-PBHICJAKSA-N 1 0 380.330 3.545 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000594457383 858181358 /nfs/dbraw/zinc/18/13/58/858181358.db2.gz ZGTRKUOZPQSVIK-OAHLLOKOSA-N 1 0 387.833 3.918 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000594503101 858194524 /nfs/dbraw/zinc/19/45/24/858194524.db2.gz SMDUTLIWXYFJPW-HSZRJFAPSA-N 1 0 375.516 3.958 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594520101 858207676 /nfs/dbraw/zinc/20/76/76/858207676.db2.gz YVWIDWWQMDWJAX-MRXNPFEDSA-N 1 0 391.471 3.731 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000521718099 858269826 /nfs/dbraw/zinc/26/98/26/858269826.db2.gz PSGVSFLFNWNDRU-UHFFFAOYSA-N 1 0 398.463 3.755 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000673137121 858276097 /nfs/dbraw/zinc/27/60/97/858276097.db2.gz GIZGMLXIIVGYLO-OAQYLSRUSA-N 1 0 379.504 3.667 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(OCc3cccc(OC)c3)c2C)CC1 ZINC000158105650 858312773 /nfs/dbraw/zinc/31/27/73/858312773.db2.gz ZPGHQSWPWFSCMV-UHFFFAOYSA-N 1 0 392.499 3.866 20 30 GHEDRO CCC1(CNC(=O)c2ccc(C#N)c(O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000443063242 858331943 /nfs/dbraw/zinc/33/19/43/858331943.db2.gz WDGGIRIWNJIHFM-UHFFFAOYSA-N 1 0 377.488 3.686 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1OC ZINC000594982306 858356379 /nfs/dbraw/zinc/35/63/79/858356379.db2.gz CDWUGAVSJSJEMU-UHFFFAOYSA-N 1 0 378.472 3.927 20 30 GHEDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000595046926 858379188 /nfs/dbraw/zinc/37/91/88/858379188.db2.gz NQFDTZMLPPHZHL-INIZCTEOSA-N 1 0 394.475 3.790 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc2Cl)cc1 ZINC000595227812 858445849 /nfs/dbraw/zinc/44/58/49/858445849.db2.gz KTKIYWIMQFJPSL-IAGOWNOFSA-N 1 0 388.830 3.907 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3ccco3)[NH+]3CCCC3)c2c1 ZINC000439131722 858451302 /nfs/dbraw/zinc/45/13/02/858451302.db2.gz IJDVFRNKYAMKHB-SFHVURJKSA-N 1 0 392.459 3.966 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CC[C@H]3Sc4ccccc4NC3=O)CC2)cc1 ZINC000595301965 858466722 /nfs/dbraw/zinc/46/67/22/858466722.db2.gz HLKNMRFYPBNKRI-OAQYLSRUSA-N 1 0 393.512 3.905 20 30 GHEDRO C=CCCn1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCc3sccc3C2)nn1 ZINC000657311038 858485462 /nfs/dbraw/zinc/48/54/62/858485462.db2.gz GQMWWLRZSIRKRM-NRFANRHFSA-N 1 0 393.560 3.805 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)Cc1ccccn1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521994441 858516615 /nfs/dbraw/zinc/51/66/15/858516615.db2.gz WNRHQYCXIDBRSG-HXUWFJFHSA-N 1 0 390.531 3.667 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]CCc3ccc(C#N)cc3)CCCC2)cc1OC ZINC000595380189 858520548 /nfs/dbraw/zinc/52/05/48/858520548.db2.gz MAVZVPPUSSPNBL-UHFFFAOYSA-N 1 0 393.487 3.659 20 30 GHEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000595443582 858532066 /nfs/dbraw/zinc/53/20/66/858532066.db2.gz VWVVBBKFKICOSI-CYBMUJFWSA-N 1 0 392.377 3.980 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115442907 858532402 /nfs/dbraw/zinc/53/24/02/858532402.db2.gz QJQHOZQKNLIGKW-HXUWFJFHSA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](CC#N)C3)cc2)C1 ZINC000595458495 858537512 /nfs/dbraw/zinc/53/75/12/858537512.db2.gz RYOKQKQZQAJJKF-SFHLNBCPSA-N 1 0 382.552 4.000 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000593029118 858568505 /nfs/dbraw/zinc/56/85/05/858568505.db2.gz TXNOXHQLZRKBJF-JOCHJYFZSA-N 1 0 376.460 3.564 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000522061858 858584949 /nfs/dbraw/zinc/58/49/49/858584949.db2.gz BXTGHSZJYMCWID-GHTZIAJQSA-N 1 0 379.504 3.886 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(N2CCCC2)c1 ZINC000181874646 863042393 /nfs/dbraw/zinc/04/23/93/863042393.db2.gz KRYOZXFGNOJADK-LJQANCHMSA-N 1 0 376.504 3.884 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000575219681 858609178 /nfs/dbraw/zinc/60/91/78/858609178.db2.gz HGGGMKALVKWYAU-UHFFFAOYSA-N 1 0 393.560 3.829 20 30 GHEDRO COc1ccc([C@@H](NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000595636602 858625286 /nfs/dbraw/zinc/62/52/86/858625286.db2.gz SDOAUWBNYFIIEN-QFIPXVFZSA-N 1 0 377.488 3.659 20 30 GHEDRO C[C@H](OCCCNC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)c1ccccc1 ZINC000595634550 858625337 /nfs/dbraw/zinc/62/53/37/858625337.db2.gz DQJZJCRBICXSQY-SFHVURJKSA-N 1 0 379.504 3.667 20 30 GHEDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000595679091 858631730 /nfs/dbraw/zinc/63/17/30/858631730.db2.gz VELUABGGIQRZGL-RVKKMQEKSA-N 1 0 389.565 3.556 20 30 GHEDRO CC(C)([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1cccc(C#N)c1 ZINC000595642177 858635817 /nfs/dbraw/zinc/63/58/17/858635817.db2.gz QEUVVVVEDZBTIA-UHFFFAOYSA-N 1 0 379.382 3.567 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc(C#N)cc1 ZINC000595684718 858640947 /nfs/dbraw/zinc/64/09/47/858640947.db2.gz ABIXAOQEFHLETH-QHCPKHFHSA-N 1 0 390.531 3.654 20 30 GHEDRO CC(C)OC(=O)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595765048 858663232 /nfs/dbraw/zinc/66/32/32/858663232.db2.gz NWCHDMMMFHEBMZ-UHFFFAOYSA-N 1 0 378.472 3.919 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C#N)c1C ZINC000595778904 858685470 /nfs/dbraw/zinc/68/54/70/858685470.db2.gz VSXKJSNVBBJOHA-HOTGVXAUSA-N 1 0 375.538 3.891 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]3CCCCO3)C1)CCC2 ZINC000595788998 858688826 /nfs/dbraw/zinc/68/88/26/858688826.db2.gz LXIXUVSFKPRGJR-CRAIPNDOSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595830015 858702449 /nfs/dbraw/zinc/70/24/49/858702449.db2.gz SNSLGEDGCNXAFD-CYBMUJFWSA-N 1 0 384.288 3.578 20 30 GHEDRO COC1(c2noc(CC3CC[NH+](Cc4cccc(C#N)c4)CC3)n2)CCCC1 ZINC000595914768 858719363 /nfs/dbraw/zinc/71/93/63/858719363.db2.gz GCXINXSJVKVUTK-UHFFFAOYSA-N 1 0 380.492 3.812 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3nc(C4CC4)cs3)CC2)c1 ZINC000593140354 858760618 /nfs/dbraw/zinc/76/06/18/858760618.db2.gz NDMYYFHFAGCXOJ-UHFFFAOYSA-N 1 0 381.505 3.678 20 30 GHEDRO Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000080054139 858774594 /nfs/dbraw/zinc/77/45/94/858774594.db2.gz OKVSUYHFCOBJBK-UHFFFAOYSA-N 1 0 376.504 3.593 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000059994250 858807805 /nfs/dbraw/zinc/80/78/05/858807805.db2.gz HGGZHHSLFYZAFA-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(CC#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000183762706 858813921 /nfs/dbraw/zinc/81/39/21/858813921.db2.gz BMIZZVPZTCMLDP-VXKWHMMOSA-N 1 0 390.487 3.861 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000195214029 881349981 /nfs/dbraw/zinc/34/99/81/881349981.db2.gz UAQZOHQNKKLZTO-UHFFFAOYSA-N 1 0 383.517 3.672 20 30 GHEDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157668227 858907971 /nfs/dbraw/zinc/90/79/71/858907971.db2.gz JZDDNPFQTYXZRJ-UHFFFAOYSA-N 1 0 386.854 3.887 20 30 GHEDRO CCc1cccc2c(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c[nH]c21 ZINC000068310432 858977495 /nfs/dbraw/zinc/97/74/95/858977495.db2.gz OLYJLQPGDOTUAF-UHFFFAOYSA-N 1 0 388.515 3.735 20 30 GHEDRO CCN(C(=O)NCCc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000596670207 858983630 /nfs/dbraw/zinc/98/36/30/858983630.db2.gz BLWJMDRZAFXTHO-CVDCTZTESA-N 1 0 390.531 3.968 20 30 GHEDRO COc1ccc2cc(C[N@H+](C)C[C@H](O)COc3ccc(CC#N)cc3)ccc2c1 ZINC000025233901 858996005 /nfs/dbraw/zinc/99/60/05/858996005.db2.gz MYEAIQXKEWULGH-QFIPXVFZSA-N 1 0 390.483 3.786 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482991048 859045960 /nfs/dbraw/zinc/04/59/60/859045960.db2.gz SJLNSTZKLBHMMG-RHSMWYFYSA-N 1 0 391.309 3.663 20 30 GHEDRO C[C@H](CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+](C)C ZINC000596727222 859057151 /nfs/dbraw/zinc/05/71/51/859057151.db2.gz IDFJEFPAIWJGQF-OAHLLOKOSA-N 1 0 384.455 3.738 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C)C[C@H](C)C2)c1C#N ZINC000443643698 859141952 /nfs/dbraw/zinc/14/19/52/859141952.db2.gz VZMADHDTWBGJQB-CVEARBPZSA-N 1 0 382.508 3.924 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000466367265 859246716 /nfs/dbraw/zinc/24/67/16/859246716.db2.gz RSYBJOKTOKVREI-QGZVFWFLSA-N 1 0 382.346 3.877 20 30 GHEDRO C=CCC1([NH2+][C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCOCC1 ZINC000895366534 859275701 /nfs/dbraw/zinc/27/57/01/859275701.db2.gz KZTMTTOFRNZJOC-GOSISDBHSA-N 1 0 394.556 3.650 20 30 GHEDRO Cc1ccccc1[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000466396580 859318654 /nfs/dbraw/zinc/31/86/54/859318654.db2.gz AEXPWDVEXYOHCE-HZCBDIJESA-N 1 0 390.531 3.886 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1F ZINC000593296965 859322602 /nfs/dbraw/zinc/32/26/02/859322602.db2.gz GPHBPLBLFQGELZ-HNNXBMFYSA-N 1 0 398.457 3.861 20 30 GHEDRO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483412931 859348334 /nfs/dbraw/zinc/34/83/34/859348334.db2.gz SVDWKVDMUMEIQU-LIRRHRJNSA-N 1 0 381.442 3.767 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cnc(CC(F)(F)F)s3)CCOCC2)c1 ZINC000895397051 859392302 /nfs/dbraw/zinc/39/23/02/859392302.db2.gz VQVUWLGOJCYDBO-UHFFFAOYSA-N 1 0 381.423 3.915 20 30 GHEDRO CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Br)c(F)c1 ZINC000494268894 881418041 /nfs/dbraw/zinc/41/80/41/881418041.db2.gz SKABEBBYAQQHID-UHFFFAOYSA-N 1 0 376.229 3.530 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OCC(F)(F)F)CC1 ZINC000114012247 859448060 /nfs/dbraw/zinc/44/80/60/859448060.db2.gz XPVSKKQJVQGUOR-UHFFFAOYSA-N 1 0 389.393 3.929 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000764575459 859513296 /nfs/dbraw/zinc/51/32/96/859513296.db2.gz UFYBSZDMNOTABP-MBSDFSHPSA-N 1 0 382.479 3.562 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000601790836 859537856 /nfs/dbraw/zinc/53/78/56/859537856.db2.gz DCHBHUHXBATWHQ-UHFFFAOYSA-N 1 0 378.476 3.692 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 ZINC000593354735 859557135 /nfs/dbraw/zinc/55/71/35/859557135.db2.gz KVKHLNZRNSPPRU-UHFFFAOYSA-N 1 0 377.463 3.510 20 30 GHEDRO O=C1c2ccccc2C(Nc2ncccc2N2CC[NH2+]CC2)=C1c1ccccc1 ZINC001168411375 859562837 /nfs/dbraw/zinc/56/28/37/859562837.db2.gz USPUFXUOQWJMKU-UHFFFAOYSA-N 1 0 382.467 3.668 20 30 GHEDRO Cc1cccc(C)c1OCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355865 859565082 /nfs/dbraw/zinc/56/50/82/859565082.db2.gz QPDBJQYALCFNBR-UHFFFAOYSA-N 1 0 391.515 3.725 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3cc(F)ccc3F)CC2)c1 ZINC000593356275 859568443 /nfs/dbraw/zinc/56/84/43/859568443.db2.gz VYSQJUXJVCJDIU-UHFFFAOYSA-N 1 0 383.442 3.550 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000764698618 859572048 /nfs/dbraw/zinc/57/20/48/859572048.db2.gz BEGYJEVSGUWHSE-RDPSFJRHSA-N 1 0 378.516 3.731 20 30 GHEDRO N#CCn1c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc2ccccc21 ZINC000611051277 859590972 /nfs/dbraw/zinc/59/09/72/859590972.db2.gz AOIVQTVIYVKBSV-UHFFFAOYSA-N 1 0 378.520 3.893 20 30 GHEDRO C[NH+](C)Cc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000487439353 859591399 /nfs/dbraw/zinc/59/13/99/859591399.db2.gz KMYANJCHRJWFLU-UHFFFAOYSA-N 1 0 390.487 3.583 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2C)[NH+]2CCCC2)cc1 ZINC000069615308 859596638 /nfs/dbraw/zinc/59/66/38/859596638.db2.gz NZZFTUXALOHMQE-OAQYLSRUSA-N 1 0 378.476 3.834 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@@H]1C ZINC000611095096 859607735 /nfs/dbraw/zinc/60/77/35/859607735.db2.gz SGODNLGMIBVRJT-INIZCTEOSA-N 1 0 394.475 3.917 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1C#N ZINC000611128271 859615636 /nfs/dbraw/zinc/61/56/36/859615636.db2.gz KADPYNIVIXROGN-SIKLNZKXSA-N 1 0 378.472 3.945 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(F)c1F ZINC000593387524 859691743 /nfs/dbraw/zinc/69/17/43/859691743.db2.gz QGMLWHCMISGYPM-OAHLLOKOSA-N 1 0 398.457 3.861 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000611323561 859697046 /nfs/dbraw/zinc/69/70/46/859697046.db2.gz WLVSIYDRSCRWPJ-IAGOWNOFSA-N 1 0 392.565 3.562 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[N@@H+](C(C)C)CC2)c1=S ZINC000764971913 859704372 /nfs/dbraw/zinc/70/43/72/859704372.db2.gz MQKXEQBSKBDLMV-UHFFFAOYSA-N 1 0 385.581 3.949 20 30 GHEDRO N#Cc1c(F)cccc1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602022796 859707878 /nfs/dbraw/zinc/70/78/78/859707878.db2.gz HSICOVCYDDADCG-NRFANRHFSA-N 1 0 393.506 3.716 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)c2)c1 ZINC000552079828 859719752 /nfs/dbraw/zinc/71/97/52/859719752.db2.gz LXUFIXUUADOELK-DEOSSOPVSA-N 1 0 392.499 3.907 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1C#N ZINC000611347860 859723689 /nfs/dbraw/zinc/72/36/89/859723689.db2.gz QOVAFKKDXPRBBD-UEXGIBASSA-N 1 0 377.536 3.890 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCc4c3cccc4Br)CC2)nc1 ZINC000611365912 859728617 /nfs/dbraw/zinc/72/86/17/859728617.db2.gz LCMDYUBVFROMIL-IBGZPJMESA-N 1 0 397.320 3.962 20 30 GHEDRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000611389397 859733142 /nfs/dbraw/zinc/73/31/42/859733142.db2.gz VMDWXMUFVMEXBG-VGOFRKELSA-N 1 0 377.488 3.971 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1cccc(C#N)c1 ZINC000611388211 859733374 /nfs/dbraw/zinc/73/33/74/859733374.db2.gz YTMSCGHELRHHBA-KRWDZBQOSA-N 1 0 379.479 3.976 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000611396763 859736559 /nfs/dbraw/zinc/73/65/59/859736559.db2.gz JNGHFDIDWNEHQE-SFHVURJKSA-N 1 0 391.393 3.883 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(Oc3ccc(C#N)cc3)c1)C2 ZINC000597713626 859740904 /nfs/dbraw/zinc/74/09/04/859740904.db2.gz DVYJAFJEMQEKGA-HSZRJFAPSA-N 1 0 375.472 3.908 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391255 859742409 /nfs/dbraw/zinc/74/24/09/859742409.db2.gz LIKPGQIJZJRFGM-KOSHJBKYSA-N 1 0 375.516 3.946 20 30 GHEDRO N#CCN1CCC([NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000611519217 859797716 /nfs/dbraw/zinc/79/77/16/859797716.db2.gz DWOUMWZNEOCUSI-QFIPXVFZSA-N 1 0 397.906 3.778 20 30 GHEDRO Cc1cc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)ncc1C#N ZINC000602176511 859835853 /nfs/dbraw/zinc/83/58/53/859835853.db2.gz INUCSTGNVQHBQU-UHFFFAOYSA-N 1 0 388.515 3.780 20 30 GHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000765283204 859888785 /nfs/dbraw/zinc/88/87/85/859888785.db2.gz XVIYDMAVLWHBQR-QZTJIDSGSA-N 1 0 383.515 3.633 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000765357648 859925985 /nfs/dbraw/zinc/92/59/85/859925985.db2.gz BQCNBKGAGDJLOX-JPYJTQIMSA-N 1 0 382.479 3.562 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123333816 859928315 /nfs/dbraw/zinc/92/83/15/859928315.db2.gz YWDRTOBLRGBIMM-RTBURBONSA-N 1 0 387.531 3.974 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000484336727 859954557 /nfs/dbraw/zinc/95/45/57/859954557.db2.gz GTGNXZQTSXWJON-DNVCBOLYSA-N 1 0 394.357 3.918 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)CCC#N)[NH+]1CCCCC1 ZINC000484373733 859977571 /nfs/dbraw/zinc/97/75/71/859977571.db2.gz UYFKOIUJASMKSP-LJQANCHMSA-N 1 0 386.540 3.851 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000765505455 860024805 /nfs/dbraw/zinc/02/48/05/860024805.db2.gz VDUKRUJHIPJYPH-IFXJQAMLSA-N 1 0 379.378 3.981 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)c1 ZINC000593510023 860048560 /nfs/dbraw/zinc/04/85/60/860048560.db2.gz JTCJQOZPVMPATP-KRWDZBQOSA-N 1 0 394.441 3.507 20 30 GHEDRO N#CC1CCC(Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000602493264 860058164 /nfs/dbraw/zinc/05/81/64/860058164.db2.gz RUFRSFDAJLYHQI-UHFFFAOYSA-N 1 0 389.547 3.941 20 30 GHEDRO N#CC1CCC([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000602521531 860075270 /nfs/dbraw/zinc/07/52/70/860075270.db2.gz RJZIGZPKVCZQDD-UHFFFAOYSA-N 1 0 393.510 3.719 20 30 GHEDRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602527029 860099468 /nfs/dbraw/zinc/09/94/68/860099468.db2.gz ICMCFCUUKHBBCE-RDJZCZTQSA-N 1 0 377.916 3.616 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000092660626 860100164 /nfs/dbraw/zinc/10/01/64/860100164.db2.gz CSSXJNBFKKNLHR-SFHVURJKSA-N 1 0 377.488 3.615 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602560020 860112042 /nfs/dbraw/zinc/11/20/42/860112042.db2.gz HQLRKGWCFMCFAP-FRFSOERESA-N 1 0 378.314 3.565 20 30 GHEDRO CC1(C)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@@H]21 ZINC000593517584 860145681 /nfs/dbraw/zinc/14/56/81/860145681.db2.gz STIQYAFOGQGMMJ-LEWJYISDSA-N 1 0 380.536 3.743 20 30 GHEDRO N#CCCn1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1-c1ccccc1 ZINC000598218995 860165354 /nfs/dbraw/zinc/16/53/54/860165354.db2.gz KJYVVGFRHUNTFY-LJQANCHMSA-N 1 0 391.519 3.601 20 30 GHEDRO Cc1cccc(CN(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593518978 860169651 /nfs/dbraw/zinc/16/96/51/860169651.db2.gz YLUQIRQZTNTIKN-UHFFFAOYSA-N 1 0 390.531 3.981 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)CC1 ZINC000328634202 860197110 /nfs/dbraw/zinc/19/71/10/860197110.db2.gz BJLYFKFUEXRJJK-UHFFFAOYSA-N 1 0 391.519 3.517 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000154646095 860214228 /nfs/dbraw/zinc/21/42/28/860214228.db2.gz JMVRKNHMLSOFIS-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000602711754 860225151 /nfs/dbraw/zinc/22/51/51/860225151.db2.gz KLYKZHTVBYOCSG-AVRDEDQJSA-N 1 0 386.536 3.975 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000602732338 860241999 /nfs/dbraw/zinc/24/19/99/860241999.db2.gz HLVFRBJYKVZTBF-UHFFFAOYSA-N 1 0 377.536 3.914 20 30 GHEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000508956912 860246050 /nfs/dbraw/zinc/24/60/50/860246050.db2.gz VCMOEOPHYODMNP-CQSZACIVSA-N 1 0 378.307 3.722 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400907 860266496 /nfs/dbraw/zinc/26/64/96/860266496.db2.gz QCYXFDPNWZDUEG-AEFFLSMTSA-N 1 0 398.482 3.644 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000508958541 860270458 /nfs/dbraw/zinc/27/04/58/860270458.db2.gz ARBBENHXSFKPSM-HXUWFJFHSA-N 1 0 388.519 3.627 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)CC1 ZINC000668369382 860277243 /nfs/dbraw/zinc/27/72/43/860277243.db2.gz WKMKCVNVTNBXFL-UHFFFAOYSA-N 1 0 386.442 3.924 20 30 GHEDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000665433343 860304612 /nfs/dbraw/zinc/30/46/12/860304612.db2.gz DBONATXCIXSYRQ-QHCPKHFHSA-N 1 0 391.515 3.661 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[C@H]2C1 ZINC000329255855 860321596 /nfs/dbraw/zinc/32/15/96/860321596.db2.gz XHTXLFMPLBIPIA-JXFKEZNVSA-N 1 0 376.460 3.908 20 30 GHEDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000602906350 860340633 /nfs/dbraw/zinc/34/06/33/860340633.db2.gz FZWIZNDBOPVEGH-UHFFFAOYSA-N 1 0 398.894 3.823 20 30 GHEDRO CCOc1ccc(NC(=O)CC[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602908488 860341780 /nfs/dbraw/zinc/34/17/80/860341780.db2.gz SKBPTKUPJZWYNP-UHFFFAOYSA-N 1 0 378.476 3.560 20 30 GHEDRO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908257 860342718 /nfs/dbraw/zinc/34/27/18/860342718.db2.gz BQEPAQXOKGDGRX-JXFKEZNVSA-N 1 0 394.544 3.946 20 30 GHEDRO COc1cccc(O[C@@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)n1 ZINC001170397448 881530185 /nfs/dbraw/zinc/53/01/85/881530185.db2.gz CALSBNQFNKNZDB-LRZVDXDASA-N 1 0 377.488 3.947 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000155117683 860405635 /nfs/dbraw/zinc/40/56/35/860405635.db2.gz SGDOFJVRJDZNFG-UHFFFAOYSA-N 1 0 379.508 3.533 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1OC ZINC000109661279 860415868 /nfs/dbraw/zinc/41/58/68/860415868.db2.gz OYXPSFUULCGLHF-IBGZPJMESA-N 1 0 386.536 3.844 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000195126880 860423924 /nfs/dbraw/zinc/42/39/24/860423924.db2.gz LNNGTJYCEADGCH-UHFFFAOYSA-N 1 0 392.547 3.745 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000603011098 860425439 /nfs/dbraw/zinc/42/54/39/860425439.db2.gz SGWUPHHWBCXMNY-UHFFFAOYSA-N 1 0 379.302 3.659 20 30 GHEDRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593922 860436852 /nfs/dbraw/zinc/43/68/52/860436852.db2.gz CUBDUEUVOSFOOZ-NHCUHLMSSA-N 1 0 386.536 3.736 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000329879570 860449481 /nfs/dbraw/zinc/44/94/81/860449481.db2.gz MKLCUXBWDUIVAK-JTDSTZFVSA-N 1 0 378.476 3.691 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4Cc5cccc(Cl)c5C4)C3)CC2=O)c1 ZINC001168732219 860453452 /nfs/dbraw/zinc/45/34/52/860453452.db2.gz QTMLADAOJZAYKB-WMZHIEFXSA-N 1 0 391.902 3.808 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C12CCOCC2 ZINC000329933277 860455636 /nfs/dbraw/zinc/45/56/36/860455636.db2.gz BKZDMICXZFDHTO-NZUHHQEFSA-N 1 0 384.520 3.812 20 30 GHEDRO COc1cc(OC)cc(Oc2cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c2)c1 ZINC000598727316 860530599 /nfs/dbraw/zinc/53/05/99/860530599.db2.gz GMKJDLXGVVTVJW-QGZVFWFLSA-N 1 0 384.476 3.886 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c(F)ccc(F)c3Cl)CC2)c1 ZINC000598742467 860539117 /nfs/dbraw/zinc/53/91/17/860539117.db2.gz UQESHDYTRORXPY-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO CC(C)(C)[C@H](CN1C(=O)CCC1=O)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376599 881551771 /nfs/dbraw/zinc/55/17/71/881551771.db2.gz RRHAOZXVXSVHCL-KPRXVCGWSA-N 1 0 381.520 3.544 20 30 GHEDRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000125098040 860579955 /nfs/dbraw/zinc/57/99/55/860579955.db2.gz ZRAXSPRSPJDYJN-UHFFFAOYSA-N 1 0 384.455 3.692 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)ccn1 ZINC000856585602 881557649 /nfs/dbraw/zinc/55/76/49/881557649.db2.gz KBUMRNLBQQYXHL-OAQYLSRUSA-N 1 0 384.911 3.712 20 30 GHEDRO COc1ccc(C[NH2+]CCN2c3ccccc3C[C@@H]2C)cc1OCCCC#N ZINC000237384408 860684985 /nfs/dbraw/zinc/68/49/85/860684985.db2.gz PXEYWEXAFOTQKK-SFHVURJKSA-N 1 0 379.504 3.919 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(F)cc3C#N)C2)ccn1 ZINC000856598441 881572620 /nfs/dbraw/zinc/57/26/20/881572620.db2.gz ATEYDRPIDVYRDV-QFIPXVFZSA-N 1 0 382.483 3.586 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CCc3c[nH]c4ccc(Br)cc34)n2c1 ZINC000544369108 860736485 /nfs/dbraw/zinc/73/64/85/860736485.db2.gz YQLGMDIXDNCODI-UHFFFAOYSA-N 1 0 394.276 3.782 20 30 GHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000840537964 860745945 /nfs/dbraw/zinc/74/59/45/860745945.db2.gz OCNZFNUQQRPQOB-QHCPKHFHSA-N 1 0 387.483 3.970 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489815728 860760343 /nfs/dbraw/zinc/76/03/43/860760343.db2.gz ZMDNJLXVAONFAV-XMMPIXPASA-N 1 0 391.559 3.991 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)O[C@H](C)C2 ZINC000593688497 860824770 /nfs/dbraw/zinc/82/47/70/860824770.db2.gz UPZQUOKHBOKWMU-QGZVFWFLSA-N 1 0 391.515 3.644 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)CC1 ZINC000730125540 860890552 /nfs/dbraw/zinc/89/05/52/860890552.db2.gz VDJIEXPXNVQBHI-GOSISDBHSA-N 1 0 377.916 3.543 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)N2CCCC23CC[NH+](C)CC3)cc1OC ZINC000329028992 860958444 /nfs/dbraw/zinc/95/84/44/860958444.db2.gz ALXGJGGQNKMALO-INIZCTEOSA-N 1 0 375.513 3.629 20 30 GHEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329062087 860985193 /nfs/dbraw/zinc/98/51/93/860985193.db2.gz ZLQTZMAGNXPLFM-LJQANCHMSA-N 1 0 393.597 3.689 20 30 GHEDRO N#Cc1ccc(C(=O)C(C(=S)NCc2cccs2)[n+]2ccccc2)cc1 ZINC000185577774 861022828 /nfs/dbraw/zinc/02/28/28/861022828.db2.gz DEIVNTQECUVERY-UHFFFAOYSA-O 1 0 378.502 3.636 20 30 GHEDRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000429081949 861045040 /nfs/dbraw/zinc/04/50/40/861045040.db2.gz UORFMCREAJQLRS-KRWDZBQOSA-N 1 0 397.906 3.782 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000329156102 861077204 /nfs/dbraw/zinc/07/72/04/861077204.db2.gz AXLODMYMPCKJMQ-CYBMUJFWSA-N 1 0 382.302 3.571 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000599347802 861083422 /nfs/dbraw/zinc/08/34/22/861083422.db2.gz BBXXMYLVJRNOHD-IAGOWNOFSA-N 1 0 382.357 3.720 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1cccc(C#N)c1 ZINC000599349708 861087032 /nfs/dbraw/zinc/08/70/32/861087032.db2.gz QOKQDKSVHJLCEM-XIKOKIGWSA-N 1 0 384.277 3.925 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc2)cc1OC ZINC000599349375 861087897 /nfs/dbraw/zinc/08/78/97/861087897.db2.gz NSDFCWMDGYXUML-WOJBJXKFSA-N 1 0 380.488 3.632 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000329193197 861123709 /nfs/dbraw/zinc/12/37/09/861123709.db2.gz SKACCMNQCLWCFP-WQMHRJNTSA-N 1 0 380.536 3.660 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CCOCC1 ZINC000599362959 861127678 /nfs/dbraw/zinc/12/76/78/861127678.db2.gz TYBBBAZBOUQMJL-FPOVZHCZSA-N 1 0 399.922 3.680 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000329205875 861138596 /nfs/dbraw/zinc/13/85/96/861138596.db2.gz DPSDBKBNQBOHHE-CYBMUJFWSA-N 1 0 382.302 3.713 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000329220546 861161862 /nfs/dbraw/zinc/16/18/62/861161862.db2.gz TYODOPJJNYRAKL-IRXDYDNUSA-N 1 0 390.503 3.914 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(Oc2cccnc2)cc1 ZINC000599422747 861165377 /nfs/dbraw/zinc/16/53/77/861165377.db2.gz WQUJTIRNERORBG-IEBWSBKVSA-N 1 0 381.476 3.596 20 30 GHEDRO Cc1noc([C@@H]2CCCCN2C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC000329234224 861180413 /nfs/dbraw/zinc/18/04/13/861180413.db2.gz HMUQXZHIXVYRBQ-ROUUACIJSA-N 1 0 377.533 3.576 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1sccc1C ZINC000733745346 863141161 /nfs/dbraw/zinc/14/11/61/863141161.db2.gz IGMHOODYZWNIFC-UHFFFAOYSA-N 1 0 386.590 3.909 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)/C=C/c2ccccc2C#N)CCOCC1)c1ccccc1 ZINC000172062126 863164341 /nfs/dbraw/zinc/16/43/41/863164341.db2.gz QHNXEOKDGYKSBE-CVTTXWKISA-N 1 0 389.499 3.588 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(O[C@H](C#N)CC)c1 ZINC000733802879 863172107 /nfs/dbraw/zinc/17/21/07/863172107.db2.gz QWGBHNJVDPOMCS-UXHICEINSA-N 1 0 386.540 3.821 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159940001 863193471 /nfs/dbraw/zinc/19/34/71/863193471.db2.gz BAAATGADINLITH-SJORKVTESA-N 1 0 395.532 3.583 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000733842909 863198313 /nfs/dbraw/zinc/19/83/13/863198313.db2.gz FIPQOEJIQDRAEB-IBGZPJMESA-N 1 0 396.491 3.630 20 30 GHEDRO C=CCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(Cl)s1 ZINC000557053211 881640129 /nfs/dbraw/zinc/64/01/29/881640129.db2.gz UXLXZRISLVGENZ-SFHVURJKSA-N 1 0 391.968 3.809 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282657634 863271762 /nfs/dbraw/zinc/27/17/62/863271762.db2.gz QYZJAAJQHYKNHQ-MRXNPFEDSA-N 1 0 387.503 3.710 20 30 GHEDRO CCCCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000482563277 863316895 /nfs/dbraw/zinc/31/68/95/863316895.db2.gz YKPYLYXFFLEAMT-UHFFFAOYSA-N 1 0 395.507 3.728 20 30 GHEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160132429 863341021 /nfs/dbraw/zinc/34/10/21/863341021.db2.gz ADIJSBDPMCVSDT-PKOBYXMFSA-N 1 0 394.494 3.982 20 30 GHEDRO Cc1ccc(-c2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)[nH]n2)cc1 ZINC000482610293 863374623 /nfs/dbraw/zinc/37/46/23/863374623.db2.gz VGPDMBHQOCYZQG-UHFFFAOYSA-N 1 0 399.498 3.673 20 30 GHEDRO C=CCOc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000182875428 863387854 /nfs/dbraw/zinc/38/78/54/863387854.db2.gz FEAYEIVKLVJPMG-OAQYLSRUSA-N 1 0 395.503 3.530 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000281914309 863482111 /nfs/dbraw/zinc/48/21/11/863482111.db2.gz GSGDSSCFYWCGBK-MSOLQXFVSA-N 1 0 383.319 3.984 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1Cl ZINC000444185046 863622537 /nfs/dbraw/zinc/62/25/37/863622537.db2.gz PXHUSXMVIBHITE-GOSISDBHSA-N 1 0 375.900 3.964 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000593984466 863623284 /nfs/dbraw/zinc/62/32/84/863623284.db2.gz YWYXNGUZLHWDCR-OZOXKJRCSA-N 1 0 381.545 3.998 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)o1 ZINC000522893487 863657898 /nfs/dbraw/zinc/65/78/98/863657898.db2.gz XSUYXPHVRLGMPV-UHFFFAOYSA-N 1 0 381.476 3.772 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCCO1 ZINC000594041562 863877199 /nfs/dbraw/zinc/87/71/99/863877199.db2.gz FUPQEAXFTAUASP-IAGOWNOFSA-N 1 0 375.538 3.764 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000480056173 863952671 /nfs/dbraw/zinc/95/26/71/863952671.db2.gz OIIUDEHXIDOLAF-CQSZACIVSA-N 1 0 387.325 3.955 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000734216431 864088488 /nfs/dbraw/zinc/08/84/88/864088488.db2.gz RAWKLBKECHCQPS-UHFFFAOYSA-N 1 0 399.922 3.625 20 30 GHEDRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000896947267 864122053 /nfs/dbraw/zinc/12/20/53/864122053.db2.gz ATRNPBUNJARIQG-PKOBYXMFSA-N 1 0 393.487 3.837 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000554449470 864338789 /nfs/dbraw/zinc/33/87/89/864338789.db2.gz CZQBPRFUAPUNTD-LJQANCHMSA-N 1 0 385.533 3.949 20 30 GHEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000607359822 864341681 /nfs/dbraw/zinc/34/16/81/864341681.db2.gz UKYRDPHVWVTDPR-UHFFFAOYSA-N 1 0 377.326 3.613 20 30 GHEDRO C=CC[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccncc1 ZINC000734662837 864389057 /nfs/dbraw/zinc/38/90/57/864389057.db2.gz DWUQZNREKZPNRI-FQEVSTJZSA-N 1 0 384.549 3.972 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000523006284 864397719 /nfs/dbraw/zinc/39/77/19/864397719.db2.gz KUHSKYKDOABWMG-LJQANCHMSA-N 1 0 391.515 3.874 20 30 GHEDRO CC[NH+]=C(NCc1cc(Br)cs1)NCc1sc(C)nc1C ZINC000262441883 864439705 /nfs/dbraw/zinc/43/97/05/864439705.db2.gz UTLMLLMBXJFVCL-UHFFFAOYSA-N 1 0 387.372 3.839 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000734929111 864541191 /nfs/dbraw/zinc/54/11/91/864541191.db2.gz NWACYVRUPHGJPC-KRWDZBQOSA-N 1 0 378.476 3.936 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735222011 864691416 /nfs/dbraw/zinc/69/14/16/864691416.db2.gz WPDQJZYRFMWWRR-UNMCSNQZSA-N 1 0 378.472 3.779 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000030909934 864816662 /nfs/dbraw/zinc/81/66/62/864816662.db2.gz USUNQQJCWXTSFB-UHFFFAOYSA-N 1 0 376.548 3.833 20 30 GHEDRO C[C@@](CO)([NH2+]CCCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000735494495 864831576 /nfs/dbraw/zinc/83/15/76/864831576.db2.gz YTZBTLRLLKRIQB-IBGZPJMESA-N 1 0 378.394 3.843 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)Nc2cccc(C#Cc3cccs3)c2)cn1 ZINC000622426221 864991247 /nfs/dbraw/zinc/99/12/47/864991247.db2.gz WYTJFLOSPMLFCQ-UHFFFAOYSA-N 1 0 379.489 3.550 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000554931569 865164198 /nfs/dbraw/zinc/16/41/98/865164198.db2.gz FLSJVKYISWLHSF-LJQANCHMSA-N 1 0 388.519 3.545 20 30 GHEDRO N#CCC1CCN(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000899128984 865353666 /nfs/dbraw/zinc/35/36/66/865353666.db2.gz VGRSQMLNTITYEK-FSSWDIPSSA-N 1 0 380.536 3.622 20 30 GHEDRO Cc1noc(C)c1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000174119447 865424876 /nfs/dbraw/zinc/42/48/76/865424876.db2.gz LCIZVOGJXXUTKZ-GFCCVEGCSA-N 1 0 386.521 3.810 20 30 GHEDRO NC(=[NH+]OCc1ccccc1C(F)(F)F)c1ccc(N2CCC(O)CC2)cc1 ZINC000174126981 865436046 /nfs/dbraw/zinc/43/60/46/865436046.db2.gz GIURJDSMLFFSMM-UHFFFAOYSA-N 1 0 393.409 3.504 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000455959881 865470046 /nfs/dbraw/zinc/47/00/46/865470046.db2.gz VVCSIDJOKXMUMC-YADHBBJMSA-N 1 0 397.567 3.668 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OCC(F)(F)F)CC1 ZINC000172212957 865524209 /nfs/dbraw/zinc/52/42/09/865524209.db2.gz XBMAWBLNAAPXKL-UHFFFAOYSA-N 1 0 375.366 3.539 20 30 GHEDRO COc1ccccc1CC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000608833332 865736705 /nfs/dbraw/zinc/73/67/05/865736705.db2.gz LZZRUPPNLUFAPF-UHFFFAOYSA-N 1 0 391.515 3.897 20 30 GHEDRO C#CCSCC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000740014185 865844522 /nfs/dbraw/zinc/84/45/22/865844522.db2.gz GTYMDFAHZRACIS-UHFFFAOYSA-N 1 0 378.339 3.708 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000455980393 865944857 /nfs/dbraw/zinc/94/48/57/865944857.db2.gz FVHNHTLBATXMEH-HDICACEKSA-N 1 0 384.524 3.610 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000740736019 865975141 /nfs/dbraw/zinc/97/51/41/865975141.db2.gz ANWSRFXPPLVBKF-UHFFFAOYSA-N 1 0 398.510 3.757 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000740737437 865975182 /nfs/dbraw/zinc/97/51/82/865975182.db2.gz NHXOMOLPLGOPTK-RBUKOAKNSA-N 1 0 393.556 3.950 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C(=C\c2ccccc2OC)c2ccccc2)CC1 ZINC000740736879 865976054 /nfs/dbraw/zinc/97/60/54/865976054.db2.gz QHKYSYCKVSFRJR-NMWGTECJSA-N 1 0 388.511 3.840 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)CC1 ZINC000740738030 865976240 /nfs/dbraw/zinc/97/62/40/865976240.db2.gz RIGYYJCVGFYNLG-UHFFFAOYSA-N 1 0 392.927 3.601 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C[C@H]1C ZINC000740840817 866035479 /nfs/dbraw/zinc/03/54/79/866035479.db2.gz FXRYHPMEBAQDMB-IIBYNOLFSA-N 1 0 378.520 3.911 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000600035101 866085359 /nfs/dbraw/zinc/08/53/59/866085359.db2.gz LLYNTSGYQUVGOD-LVVCFHABSA-N 1 0 387.527 3.885 20 30 GHEDRO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC000475508653 866123632 /nfs/dbraw/zinc/12/36/32/866123632.db2.gz NIECBXYVCDJEHE-LBPRGKRZSA-N 1 0 380.229 3.867 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000741165587 866278504 /nfs/dbraw/zinc/27/85/04/866278504.db2.gz OZHQOOJDONJHQO-HMHHDILKSA-N 1 0 395.547 3.947 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000303984289 866437152 /nfs/dbraw/zinc/43/71/52/866437152.db2.gz RZERCOVXMHMODQ-HXUWFJFHSA-N 1 0 386.927 3.703 20 30 GHEDRO [NH2+]=C(NCCOc1ccccc1C(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000304738719 866512059 /nfs/dbraw/zinc/51/20/59/866512059.db2.gz AWZXAMNPJSLPGU-OAHLLOKOSA-N 1 0 379.382 3.512 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000102046100 866620124 /nfs/dbraw/zinc/62/01/24/866620124.db2.gz CKVRZFMBVQQVAT-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO CC1CCC2(CC1)OC[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)O2 ZINC000305851632 866656635 /nfs/dbraw/zinc/65/66/35/866656635.db2.gz UVARUGDMLPGPRT-YAJUMTOWSA-N 1 0 387.402 3.634 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000741636498 866661424 /nfs/dbraw/zinc/66/14/24/866661424.db2.gz LSPHGMJYEZMXEN-UHFFFAOYSA-N 1 0 395.478 3.620 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000741675689 866714670 /nfs/dbraw/zinc/71/46/70/866714670.db2.gz UARYKNZUIFGMFA-JOCHJYFZSA-N 1 0 392.499 3.664 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccsc2S1 ZINC000190615490 882016707 /nfs/dbraw/zinc/01/67/07/882016707.db2.gz RDNPPOATTSICEQ-DOPJRALCSA-N 1 0 383.542 3.936 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508498502 866849140 /nfs/dbraw/zinc/84/91/40/866849140.db2.gz SNUSSHTUFRLLMP-GOSISDBHSA-N 1 0 390.535 3.847 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000161881128 866900578 /nfs/dbraw/zinc/90/05/78/866900578.db2.gz MCFCPVJNSXWKLJ-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000444686989 867031871 /nfs/dbraw/zinc/03/18/71/867031871.db2.gz FMCGESSJIDBCDW-QGZVFWFLSA-N 1 0 377.554 3.939 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553248418 867048275 /nfs/dbraw/zinc/04/82/75/867048275.db2.gz SVLCPPCJYIBYMO-INIZCTEOSA-N 1 0 390.959 3.665 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444697917 867081172 /nfs/dbraw/zinc/08/11/72/867081172.db2.gz QZSIYBFBRVFSKS-FDDCHVKYSA-N 1 0 379.504 3.971 20 30 GHEDRO N#Cc1c(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc2cc(Cl)ccn12 ZINC000553336191 867201928 /nfs/dbraw/zinc/20/19/28/867201928.db2.gz JTKHVRBFHSIDDF-JOCHJYFZSA-N 1 0 391.906 3.962 20 30 GHEDRO C=CC[N@@H+](CCOc1cccc(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000553319838 867212733 /nfs/dbraw/zinc/21/27/33/867212733.db2.gz FEHKGFUUVYYSQF-MRXNPFEDSA-N 1 0 383.883 3.944 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000553395647 867316590 /nfs/dbraw/zinc/31/65/90/867316590.db2.gz MNAOGUCPXCGNRE-JOCHJYFZSA-N 1 0 379.504 3.888 20 30 GHEDRO N#CC1(NC(=O)CCOc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479214439 867365870 /nfs/dbraw/zinc/36/58/70/867365870.db2.gz KPZPXQKVQRXTPQ-UHFFFAOYSA-N 1 0 397.906 3.783 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000534753422 867373969 /nfs/dbraw/zinc/37/39/69/867373969.db2.gz BBNPRXYKSYMRKE-YWZLYKJASA-N 1 0 376.522 3.615 20 30 GHEDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609070059 867578907 /nfs/dbraw/zinc/57/89/07/867578907.db2.gz VSPGYWBAZMRKRP-UHFFFAOYSA-N 1 0 389.455 3.722 20 30 GHEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000523600734 867630724 /nfs/dbraw/zinc/63/07/24/867630724.db2.gz CKFGNHITUTYJTF-GTROLIPKSA-N 1 0 398.551 3.668 20 30 GHEDRO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000793325007 882103727 /nfs/dbraw/zinc/10/37/27/882103727.db2.gz ZACMRYCPJAMWQE-UHFFFAOYSA-N 1 0 377.532 3.915 20 30 GHEDRO CN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072663 867657099 /nfs/dbraw/zinc/65/70/99/867657099.db2.gz SEGOVPUUBTVXCU-QGZVFWFLSA-N 1 0 381.442 3.949 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=S)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000742996227 867724638 /nfs/dbraw/zinc/72/46/38/867724638.db2.gz AXZGMXUUPSNRSX-UHFFFAOYSA-N 1 0 387.471 3.590 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(OC)cc1Br)C(C)C ZINC000523655344 867725159 /nfs/dbraw/zinc/72/51/59/867725159.db2.gz IWJSSDCQCHGCRT-SFHVURJKSA-N 1 0 395.341 3.886 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(OC)cc1Br)C(C)C ZINC000523655343 867725196 /nfs/dbraw/zinc/72/51/96/867725196.db2.gz IWJSSDCQCHGCRT-GOSISDBHSA-N 1 0 395.341 3.886 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cnn(-c2ccccc2)c1)[n+]1ccccc1 ZINC000743052167 867787906 /nfs/dbraw/zinc/78/79/06/867787906.db2.gz FQSLAOMYWSHROU-UHFFFAOYSA-O 1 0 377.493 3.537 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000743078816 867799602 /nfs/dbraw/zinc/79/96/02/867799602.db2.gz NBOUCLCMDRDYNH-UHFFFAOYSA-N 1 0 396.466 3.624 20 30 GHEDRO N#Cc1ccc(CC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000195349579 882127113 /nfs/dbraw/zinc/12/71/13/882127113.db2.gz LGARQQJPRCQQSK-UHFFFAOYSA-N 1 0 390.487 3.554 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000743193937 867938274 /nfs/dbraw/zinc/93/82/74/867938274.db2.gz HBHHIXWLRQTVOE-HXUWFJFHSA-N 1 0 381.451 3.796 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCOC2)O1 ZINC000475623629 867943168 /nfs/dbraw/zinc/94/31/68/867943168.db2.gz RIXKVCOXLODRRE-UPVQGACJSA-N 1 0 392.499 3.907 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000743196581 867943775 /nfs/dbraw/zinc/94/37/75/867943775.db2.gz RJPVVOGTECEQKJ-ZWKOTPCHSA-N 1 0 387.499 3.956 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000743198141 867946710 /nfs/dbraw/zinc/94/67/10/867946710.db2.gz MJVVFYZWDGAWGH-UHFFFAOYSA-N 1 0 387.499 3.958 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000445243275 868060122 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0 379.508 3.757 20 30 GHEDRO COCCOc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1OC ZINC000539924144 870037809 /nfs/dbraw/zinc/03/78/09/870037809.db2.gz SITWAKWOJIFIFX-UHFFFAOYSA-N 1 0 378.472 3.881 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000920809138 882390810 /nfs/dbraw/zinc/39/08/10/882390810.db2.gz RRVFXISRQLUFPE-BQFCYCMXSA-N 1 0 380.492 3.728 20 30 GHEDRO C=CC1CC[NH+](Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)CC1 ZINC000538730456 870452846 /nfs/dbraw/zinc/45/28/46/870452846.db2.gz MLWWTFOFOIIIBA-UHFFFAOYSA-N 1 0 386.536 3.875 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc(OC)c1O ZINC000446840909 870564448 /nfs/dbraw/zinc/56/44/48/870564448.db2.gz KBUWVLFFGXCCMF-UHFFFAOYSA-N 1 0 381.516 3.947 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCNC(=O)c2ccc(F)cc2)CC1 ZINC000540177768 870689932 /nfs/dbraw/zinc/68/99/32/870689932.db2.gz RRIAEMRGJVMUNR-UHFFFAOYSA-N 1 0 379.479 3.939 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508869110 870882507 /nfs/dbraw/zinc/88/25/07/870882507.db2.gz GZKSPLVJTJADNP-DYESRHJHSA-N 1 0 396.491 3.984 20 30 GHEDRO Cc1nc2ccccc2n1CCCCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000463128664 870945734 /nfs/dbraw/zinc/94/57/34/870945734.db2.gz RKTUDNKRXFSBTK-UHFFFAOYSA-N 1 0 388.519 3.604 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1Br ZINC000538954810 870966696 /nfs/dbraw/zinc/96/66/96/870966696.db2.gz VURRLEQIJYDGNO-UHFFFAOYSA-N 1 0 380.330 3.669 20 30 GHEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000538962803 871028998 /nfs/dbraw/zinc/02/89/98/871028998.db2.gz LXRVGFMQZVDIBX-INIZCTEOSA-N 1 0 375.423 3.712 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429716231 871037263 /nfs/dbraw/zinc/03/72/63/871037263.db2.gz KBYZKIABEKLPLB-LJQANCHMSA-N 1 0 393.535 3.706 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)C1CCCCC1 ZINC000429705392 871059591 /nfs/dbraw/zinc/05/95/91/871059591.db2.gz AVGBVJFHEDXAMO-NRFANRHFSA-N 1 0 393.535 3.704 20 30 GHEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540394106 871160712 /nfs/dbraw/zinc/16/07/12/871160712.db2.gz DRQBCZJAUDBBJF-KRWDZBQOSA-N 1 0 386.455 3.935 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000540404455 871191838 /nfs/dbraw/zinc/19/18/38/871191838.db2.gz NOYKKDNAWUKRIF-TWOQFEAHSA-N 1 0 377.554 3.519 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1cccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169145883 871257581 /nfs/dbraw/zinc/25/75/81/871257581.db2.gz UVJSCJZDFWHFEO-WJONJSRFSA-N 1 0 386.540 3.986 20 30 GHEDRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC001169262515 871326363 /nfs/dbraw/zinc/32/63/63/871326363.db2.gz YLSMDXMUHFVFGP-GFCCVEGCSA-N 1 0 395.290 3.965 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1=O ZINC001169297130 871392000 /nfs/dbraw/zinc/39/20/00/871392000.db2.gz BLXNGOYCWGWCCV-VUNKPPBISA-N 1 0 396.531 3.655 20 30 GHEDRO Cc1ccc(N2CCC[C@H]([NH+]3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC001194041892 871459321 /nfs/dbraw/zinc/45/93/21/871459321.db2.gz HKUZFWWSHHDUOE-QHCPKHFHSA-N 1 0 389.499 3.906 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000181804599 871497267 /nfs/dbraw/zinc/49/72/67/871497267.db2.gz JWPQYZZGUYPCQK-UHFFFAOYSA-N 1 0 392.503 3.706 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000539211512 871522735 /nfs/dbraw/zinc/52/27/35/871522735.db2.gz UEDXMSHERPBQBO-JOCHJYFZSA-N 1 0 388.515 3.995 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000539227432 871544397 /nfs/dbraw/zinc/54/43/97/871544397.db2.gz UDGGQLZEOZBYGL-KRWDZBQOSA-N 1 0 386.455 3.822 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000525866111 871563229 /nfs/dbraw/zinc/56/32/29/871563229.db2.gz AMLBYQQPMGIAQU-UHFFFAOYSA-N 1 0 393.491 3.527 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000539287899 871642159 /nfs/dbraw/zinc/64/21/59/871642159.db2.gz ZEQUNJDZPVFEGY-SFHVURJKSA-N 1 0 396.535 3.919 20 30 GHEDRO N#Cc1c[nH]c2cc(-n3cc(CC[NH3+])c4ccc(OC(F)(F)F)cc43)cnc12 ZINC001169613800 871707308 /nfs/dbraw/zinc/70/73/08/871707308.db2.gz OOSBNSKPTJXKGY-UHFFFAOYSA-N 1 0 385.349 3.778 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(C)nn1C)c1ccc(C(F)(F)F)cc1 ZINC000539332771 871712829 /nfs/dbraw/zinc/71/28/29/871712829.db2.gz SDYCJTMQVHXRBI-INIZCTEOSA-N 1 0 380.414 3.983 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000468967165 871733325 /nfs/dbraw/zinc/73/33/25/871733325.db2.gz LEMPJTXTIGEJGV-KBPBESRZSA-N 1 0 381.314 3.697 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000182034735 871751433 /nfs/dbraw/zinc/75/14/33/871751433.db2.gz SWOGOXLQBGDXAQ-LJQANCHMSA-N 1 0 392.503 3.518 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001194505903 871755490 /nfs/dbraw/zinc/75/54/90/871755490.db2.gz XPTLZSBTTIDWDV-UPVQGACJSA-N 1 0 389.499 3.764 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000121736077 871770556 /nfs/dbraw/zinc/77/05/56/871770556.db2.gz MNRNWQKOTNXHQG-UHFFFAOYSA-N 1 0 388.581 3.763 20 30 GHEDRO C[C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000462177063 871771781 /nfs/dbraw/zinc/77/17/81/871771781.db2.gz QSRZUITVFWFQLI-AWEZNQCLSA-N 1 0 398.320 3.776 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000128110214 871840914 /nfs/dbraw/zinc/84/09/14/871840914.db2.gz YIPREVZNGYXFHJ-SFHVURJKSA-N 1 0 396.457 3.753 20 30 GHEDRO Cc1ccccc1-n1nccc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000525991120 871880632 /nfs/dbraw/zinc/88/06/32/871880632.db2.gz REKFXXBUFYGWDV-UHFFFAOYSA-N 1 0 387.487 3.927 20 30 GHEDRO N#Cc1cncc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1 ZINC001194676490 871884975 /nfs/dbraw/zinc/88/49/75/871884975.db2.gz XQDLLVOSEKYXOH-NFBKMPQASA-N 1 0 389.430 3.633 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447585106 871888366 /nfs/dbraw/zinc/88/83/66/871888366.db2.gz IDINKHCTFZACCK-REWPJTCUSA-N 1 0 379.504 3.891 20 30 GHEDRO CCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccc(CC)cc1 ZINC000022686298 871908777 /nfs/dbraw/zinc/90/87/77/871908777.db2.gz VRDBWCBOOCKZCS-UHFFFAOYSA-O 1 0 392.342 3.847 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618849020 872072259 /nfs/dbraw/zinc/07/22/59/872072259.db2.gz LIIYZGUJERGJJC-OFNKIYASSA-N 1 0 388.515 3.709 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCO1 ZINC000182306086 872168353 /nfs/dbraw/zinc/16/83/53/872168353.db2.gz FYFFKKGCTWUVNJ-DLBZAZTESA-N 1 0 375.538 3.764 20 30 GHEDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 ZINC000182321026 872198948 /nfs/dbraw/zinc/19/89/48/872198948.db2.gz UCHMUVCZDWXCLL-KRWDZBQOSA-N 1 0 381.476 3.615 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@@H]1CCCO1 ZINC000182335908 872223261 /nfs/dbraw/zinc/22/32/61/872223261.db2.gz QISNJPUCTZRHPB-UXHICEINSA-N 1 0 386.540 3.968 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 ZINC000619112632 872293547 /nfs/dbraw/zinc/29/35/47/872293547.db2.gz POBSUZVRAORTAQ-UHFFFAOYSA-N 1 0 390.443 3.796 20 30 GHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cccc21 ZINC000619146970 872349718 /nfs/dbraw/zinc/34/97/18/872349718.db2.gz FQDCADNRSZCDKW-NHCUHLMSSA-N 1 0 390.487 3.551 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463695737 872355672 /nfs/dbraw/zinc/35/56/72/872355672.db2.gz GVFBCEVRGSJALV-UYAOXDASSA-N 1 0 394.515 3.900 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)CCCCC#N)C1 ZINC000857881537 882611563 /nfs/dbraw/zinc/61/15/63/882611563.db2.gz VZZVJJBMNBQPNW-MRXNPFEDSA-N 1 0 378.314 3.742 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478051939 872430553 /nfs/dbraw/zinc/43/05/53/872430553.db2.gz FWRLKZGCCSIZCX-PGRDOPGGSA-N 1 0 383.536 3.749 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000463761548 872517733 /nfs/dbraw/zinc/51/77/33/872517733.db2.gz COLRWMQXMGKSHO-IBGZPJMESA-N 1 0 386.536 3.988 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000527048599 872555501 /nfs/dbraw/zinc/55/55/01/872555501.db2.gz UOABGFYBLRADAI-AWEZNQCLSA-N 1 0 377.941 3.847 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000619427441 872641129 /nfs/dbraw/zinc/64/11/29/872641129.db2.gz IQPRLZGYQKOZLP-LJQANCHMSA-N 1 0 380.517 3.585 20 30 GHEDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C#N)[NH+]2CCCCC2)cc1 ZINC000070790505 872886388 /nfs/dbraw/zinc/88/63/88/872886388.db2.gz HDHCFDAERYRFFH-IBGZPJMESA-N 1 0 381.436 3.509 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000767905729 872951703 /nfs/dbraw/zinc/95/17/03/872951703.db2.gz HWRPVICYFZJYIC-FQEVSTJZSA-N 1 0 386.499 3.907 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000619757097 872967703 /nfs/dbraw/zinc/96/77/03/872967703.db2.gz JUKHOEJJDMYYIL-GOSISDBHSA-N 1 0 386.883 3.749 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000619755768 872967774 /nfs/dbraw/zinc/96/77/74/872967774.db2.gz RXSJRXJCXHHYQQ-CQSZACIVSA-N 1 0 389.908 3.602 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1Cl ZINC000619748393 872984450 /nfs/dbraw/zinc/98/44/50/872984450.db2.gz CUJFJIRIFDTIIZ-UHFFFAOYSA-N 1 0 393.874 3.909 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cnn1-c1ccc(F)cc1 ZINC000182993402 873070762 /nfs/dbraw/zinc/07/07/62/873070762.db2.gz UCRLEMACWKXPSH-CABCVRRESA-N 1 0 391.450 3.869 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000768389787 873286378 /nfs/dbraw/zinc/28/63/78/873286378.db2.gz FQUMEPCBBRSCHW-FQEVSTJZSA-N 1 0 384.524 3.632 20 30 GHEDRO C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000464134485 873287523 /nfs/dbraw/zinc/28/75/23/873287523.db2.gz JSXRPTBMVDUTBA-KCESLBEFSA-N 1 0 375.516 3.935 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858020033 882736953 /nfs/dbraw/zinc/73/69/53/882736953.db2.gz LVLATFKAFMNMLU-OAQYLSRUSA-N 1 0 390.487 3.703 20 30 GHEDRO CC(C)(C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)N1CCCC1 ZINC000527808147 873592919 /nfs/dbraw/zinc/59/29/19/873592919.db2.gz HBSMHZGTKJZXLA-UHFFFAOYSA-N 1 0 391.515 3.875 20 30 GHEDRO CCOc1c(OC)cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1OC ZINC000527812168 873598567 /nfs/dbraw/zinc/59/85/67/873598567.db2.gz PYZNHAWZWKXVGU-UHFFFAOYSA-N 1 0 396.487 3.770 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000448624904 873684112 /nfs/dbraw/zinc/68/41/12/873684112.db2.gz XIGZUHHSELPRDC-UHFFFAOYSA-N 1 0 398.304 3.669 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3nc(CC)no3)ccc2C)CC1 ZINC000177160662 882768494 /nfs/dbraw/zinc/76/84/94/882768494.db2.gz KZDVTFUSMNQXJH-UHFFFAOYSA-N 1 0 383.496 3.769 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1c(C)nn(C)c1C ZINC000541592850 873906555 /nfs/dbraw/zinc/90/65/55/873906555.db2.gz DQZGHQQSACZFST-KXBFYZLASA-N 1 0 385.487 3.552 20 30 GHEDRO CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000541598283 873915873 /nfs/dbraw/zinc/91/58/73/873915873.db2.gz GZWJTNVWDJWOAU-UHFFFAOYSA-N 1 0 383.879 3.963 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001197707695 873993541 /nfs/dbraw/zinc/99/35/41/873993541.db2.gz ZQEKYSNOCMLRPZ-WOJBJXKFSA-N 1 0 376.529 3.709 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000476654669 882796964 /nfs/dbraw/zinc/79/69/64/882796964.db2.gz OSQZHZNOGQKIAU-LJQANCHMSA-N 1 0 383.492 3.871 20 30 GHEDRO CCc1ccc([C@@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595775126 874195301 /nfs/dbraw/zinc/19/53/01/874195301.db2.gz SQFZAKGFMUFGHZ-GOSISDBHSA-N 1 0 391.515 3.593 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)nn1-c1cccc(C#N)c1 ZINC000541873530 874444439 /nfs/dbraw/zinc/44/44/39/874444439.db2.gz PAGJFBHMDGEZEF-FIKGOQFSSA-N 1 0 391.519 3.530 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)c1C ZINC001198551478 874497731 /nfs/dbraw/zinc/49/77/31/874497731.db2.gz DMXTYXVZSGJJCG-IBGZPJMESA-N 1 0 393.535 3.898 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000464794137 874522906 /nfs/dbraw/zinc/52/29/06/874522906.db2.gz VURBIAPJZJHKIB-QFIPXVFZSA-N 1 0 393.531 3.919 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)c2ccc(OC)cc2)cc1OC ZINC000858092853 882837339 /nfs/dbraw/zinc/83/73/39/882837339.db2.gz LBBMANSMRWIELP-SFHVURJKSA-N 1 0 377.868 3.745 20 30 GHEDRO CC1(C#N)CCC([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)CC1 ZINC000449173205 874551223 /nfs/dbraw/zinc/55/12/23/874551223.db2.gz WTNFHNGNJOYNMY-UHFFFAOYSA-N 1 0 399.516 3.839 20 30 GHEDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]1C ZINC001198668376 874571247 /nfs/dbraw/zinc/57/12/47/874571247.db2.gz WZNKYLIWACXURD-ZUMXRPEOSA-N 1 0 380.435 3.958 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N2CCC(CC#N)CC2)[NH+]2CCCCC2)cc1 ZINC000541962870 874606897 /nfs/dbraw/zinc/60/68/97/874606897.db2.gz OFQLOLUNQHYKCC-OAQYLSRUSA-N 1 0 384.524 3.557 20 30 GHEDRO CC[N@H+](C)[C@@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC001198883540 874698446 /nfs/dbraw/zinc/69/84/46/874698446.db2.gz SPWNTBVJCSZPAT-OAQYLSRUSA-N 1 0 379.504 3.672 20 30 GHEDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000541983438 874703482 /nfs/dbraw/zinc/70/34/82/874703482.db2.gz JNIVCMZWAFGSID-VQIMIIECSA-N 1 0 383.517 3.651 20 30 GHEDRO COc1ccc(C(C)(C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000528677126 874874896 /nfs/dbraw/zinc/87/48/96/874874896.db2.gz YPDAZGXUZRTLOE-LJQANCHMSA-N 1 0 381.451 3.726 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000770801840 874877101 /nfs/dbraw/zinc/87/71/01/874877101.db2.gz KABHHIFBXBNTFH-KRWDZBQOSA-N 1 0 399.560 3.790 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1OC ZINC000178235520 882878629 /nfs/dbraw/zinc/87/86/29/882878629.db2.gz BWUHWFKEVHKHGF-QUCCMNQESA-N 1 0 399.535 3.647 20 30 GHEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000528754568 875016175 /nfs/dbraw/zinc/01/61/75/875016175.db2.gz NNEQTTKCOGXVIL-WZFJYNIESA-N 1 0 375.538 3.619 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449548814 875028840 /nfs/dbraw/zinc/02/88/40/875028840.db2.gz QXAGXAJHJVLMJE-OLZOCXBDSA-N 1 0 392.240 3.882 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Oc4ccccc4)nn3)CCOCC2)cc1 ZINC000528779953 875052397 /nfs/dbraw/zinc/05/23/97/875052397.db2.gz ZQNIAEHUGBVKSJ-UHFFFAOYSA-N 1 0 386.455 3.936 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000771457985 875255750 /nfs/dbraw/zinc/25/57/50/875255750.db2.gz SCFKFTAIYWLVIO-UHFFFAOYSA-N 1 0 392.503 3.864 20 30 GHEDRO N#CC1(NC(=O)Cc2ccc(F)c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000528979830 875369653 /nfs/dbraw/zinc/36/96/53/875369653.db2.gz IXOLQCAGZLGQHO-UHFFFAOYSA-N 1 0 385.870 3.696 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001200901625 875408180 /nfs/dbraw/zinc/40/81/80/875408180.db2.gz KXVOLYYUWOOVEO-UHFFFAOYSA-N 1 0 382.888 3.622 20 30 GHEDRO N#CC1(NC(=S)Nc2ccc(F)cc2F)CCN(Cc2ccccc2)CC1 ZINC001200939224 875428324 /nfs/dbraw/zinc/42/83/24/875428324.db2.gz UNDWRUSUOJVNAB-UHFFFAOYSA-N 1 0 386.471 3.810 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)c2)nc1 ZINC001201020920 875442021 /nfs/dbraw/zinc/44/20/21/875442021.db2.gz DERLVUVOCLBURG-UHFFFAOYSA-N 1 0 391.475 3.741 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001201030609 875477139 /nfs/dbraw/zinc/47/71/39/875477139.db2.gz ITNWCEGKXAPLCO-INIZCTEOSA-N 1 0 393.491 3.940 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1F ZINC000542411387 875516833 /nfs/dbraw/zinc/51/68/33/875516833.db2.gz HXZPSYGTPUXHQU-UHFFFAOYSA-N 1 0 380.467 3.633 20 30 GHEDRO CCN(CC[NH+]1CCCCC1)C(=S)Nc1ccc(C#N)cc1Br ZINC001201122480 875536265 /nfs/dbraw/zinc/53/62/65/875536265.db2.gz LQSNYYFWPPZADG-UHFFFAOYSA-N 1 0 395.370 3.825 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000665956135 875596573 /nfs/dbraw/zinc/59/65/73/875596573.db2.gz KOSBVNPTLFDSMU-UHFFFAOYSA-N 1 0 387.524 3.654 20 30 GHEDRO CC1(C)COc2cc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000529161908 875722802 /nfs/dbraw/zinc/72/28/02/875722802.db2.gz IFSFYCGSDNXDFI-UHFFFAOYSA-N 1 0 390.487 3.578 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000449996458 875762735 /nfs/dbraw/zinc/76/27/35/875762735.db2.gz ANWZGEFJIPNHJA-JOCHJYFZSA-N 1 0 378.516 3.774 20 30 GHEDRO COCc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C#N ZINC000529210300 875835144 /nfs/dbraw/zinc/83/51/44/875835144.db2.gz KRKQPJZPEIKFQU-UHFFFAOYSA-N 1 0 392.503 3.799 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000529218175 875847197 /nfs/dbraw/zinc/84/71/97/875847197.db2.gz UUUIHQYUWKFCKO-GOSISDBHSA-N 1 0 392.503 3.833 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000271915345 876036237 /nfs/dbraw/zinc/03/62/37/876036237.db2.gz BXYFZAOJCWFWDO-BRWVUGGUSA-N 1 0 395.478 3.798 20 30 GHEDRO N#Cc1cccc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000450361601 876308600 /nfs/dbraw/zinc/30/86/00/876308600.db2.gz CYGXSDYQQLSVBE-QFIPXVFZSA-N 1 0 376.460 3.959 20 30 GHEDRO CC(C)[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CCOCC1 ZINC000077322660 883019313 /nfs/dbraw/zinc/01/93/13/883019313.db2.gz XIHQPUXZXJSJGB-MRXNPFEDSA-N 1 0 375.538 3.909 20 30 GHEDRO N#Cc1cccc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000450370349 876342646 /nfs/dbraw/zinc/34/26/46/876342646.db2.gz XPHFKMHIKVDEBB-UHFFFAOYSA-N 1 0 394.475 3.950 20 30 GHEDRO C[C@@H]1[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000858327151 883028786 /nfs/dbraw/zinc/02/87/86/883028786.db2.gz JHAJLJRRFHYHQX-UZLBHIALSA-N 1 0 384.524 3.515 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)c(F)c1 ZINC000786111668 876454745 /nfs/dbraw/zinc/45/47/45/876454745.db2.gz AZTNFPMDVKTYNI-UHFFFAOYSA-N 1 0 381.451 3.836 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1 ZINC000776427656 876465921 /nfs/dbraw/zinc/46/59/21/876465921.db2.gz QZJFNBMKMHASIO-ABQONYIQSA-N 1 0 391.515 3.671 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000450526590 876571644 /nfs/dbraw/zinc/57/16/44/876571644.db2.gz VWVRFFCUBKITKH-FQEVSTJZSA-N 1 0 397.320 3.818 20 30 GHEDRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCSCC#N)CC1 ZINC000173900384 876710009 /nfs/dbraw/zinc/71/00/09/876710009.db2.gz ZBQISBWABGQGSI-HNNXBMFYSA-N 1 0 382.371 3.775 20 30 GHEDRO N#Cc1sc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1Cl ZINC000804587808 883065149 /nfs/dbraw/zinc/06/51/49/883065149.db2.gz BWULHCARRMONGC-UHFFFAOYSA-N 1 0 387.940 3.812 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000850384362 876869939 /nfs/dbraw/zinc/86/99/39/876869939.db2.gz SRIFCUZRIMZCFT-LJQANCHMSA-N 1 0 399.535 3.801 20 30 GHEDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000850417371 876897964 /nfs/dbraw/zinc/89/79/64/876897964.db2.gz UYYLWMBEBWFATB-QGZVFWFLSA-N 1 0 397.523 3.809 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](n3ccnc3)C1)CCCCC2 ZINC000609157508 876923567 /nfs/dbraw/zinc/92/35/67/876923567.db2.gz YZVLSKUASDHNMA-MRXNPFEDSA-N 1 0 397.548 3.751 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)o1 ZINC000492489749 876959281 /nfs/dbraw/zinc/95/92/81/876959281.db2.gz XYOJWJNFJKUPGF-DENIHFKCSA-N 1 0 378.403 3.831 20 30 GHEDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000787028212 877103952 /nfs/dbraw/zinc/10/39/52/877103952.db2.gz CDNOIBDESHRHOC-BPAFIMBUSA-N 1 0 385.508 3.550 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000787034121 877111192 /nfs/dbraw/zinc/11/11/92/877111192.db2.gz JFQHFOUOEUNBCT-AOMKIAJQSA-N 1 0 387.483 3.990 20 30 GHEDRO C[NH+](C)CCc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000285242930 912219380 /nfs/dbraw/zinc/21/93/80/912219380.db2.gz GSXDLOBTPULSGZ-UHFFFAOYSA-N 1 0 394.494 3.657 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(O)c(C#N)c1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183050527 912223386 /nfs/dbraw/zinc/22/33/86/912223386.db2.gz OUSOJSRJCAQEKJ-INIZCTEOSA-N 1 0 381.476 3.641 20 30 GHEDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000787327913 877348198 /nfs/dbraw/zinc/34/81/98/877348198.db2.gz PIPMOWVOKNKIMV-CJNGLKHVSA-N 1 0 388.393 3.886 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC)Cc1ccccc1 ZINC000064743589 877410123 /nfs/dbraw/zinc/41/01/23/877410123.db2.gz LDGLCPMWTMLSRX-IBGZPJMESA-N 1 0 380.492 3.641 20 30 GHEDRO C[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610162419 877467550 /nfs/dbraw/zinc/46/75/50/877467550.db2.gz ASTQAHJAJQMKSJ-FOIQADDNSA-N 1 0 393.878 3.766 20 30 GHEDRO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451188203 877548349 /nfs/dbraw/zinc/54/83/49/877548349.db2.gz HLBUFUXMIVALQF-CVEARBPZSA-N 1 0 393.272 3.599 20 30 GHEDRO C[C@@H](CCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000551672912 877645277 /nfs/dbraw/zinc/64/52/77/877645277.db2.gz BAIREGIYKPIWSR-AWEZNQCLSA-N 1 0 390.409 3.612 20 30 GHEDRO Cc1nc(CC(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000067972817 877721946 /nfs/dbraw/zinc/72/19/46/877721946.db2.gz ISDCMUSCPZEVBY-UHFFFAOYSA-N 1 0 384.549 3.726 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000477560013 877817338 /nfs/dbraw/zinc/81/73/38/877817338.db2.gz LWPLIMUKNDKKTP-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO C#CCC1(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CCCCC1 ZINC000788159172 877887284 /nfs/dbraw/zinc/88/72/84/877887284.db2.gz RATACMKWMMUBHP-PMACEKPBSA-N 1 0 382.548 3.886 20 30 GHEDRO NC(=NOCc1ccc(-n2cccn2)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000110182434 877897528 /nfs/dbraw/zinc/89/75/28/877897528.db2.gz DIPYCBGWRSBSSS-UHFFFAOYSA-N 1 0 389.503 3.695 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1C#N ZINC000451418059 877944324 /nfs/dbraw/zinc/94/43/24/877944324.db2.gz LXOPRZXBZDREAX-NRSPTQNISA-N 1 0 398.551 3.656 20 30 GHEDRO N#Cc1nnc2ccccc2c1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000530537877 877989916 /nfs/dbraw/zinc/98/99/16/877989916.db2.gz UYKJDNLKDUDWNQ-UHFFFAOYSA-N 1 0 375.398 3.719 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000615674260 878002602 /nfs/dbraw/zinc/00/26/02/878002602.db2.gz WOGJSIOCVWZFOP-UHFFFAOYSA-N 1 0 393.531 3.841 20 30 GHEDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1(C)C ZINC000451491602 878038324 /nfs/dbraw/zinc/03/83/24/878038324.db2.gz PQGTVJNLLFHENU-WIBUTAKZSA-N 1 0 375.538 3.670 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451499460 878050426 /nfs/dbraw/zinc/05/04/26/878050426.db2.gz FMUMTIFOOZEPSA-XZOQPEGZSA-N 1 0 384.483 3.593 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C#N ZINC000543751460 912306580 /nfs/dbraw/zinc/30/65/80/912306580.db2.gz BZXYPDWVVCSDBF-HOCLYGCPSA-N 1 0 398.576 3.935 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)o2)cc1 ZINC000451543169 878112653 /nfs/dbraw/zinc/11/26/53/878112653.db2.gz BDCVSCZLISEMTE-GOSISDBHSA-N 1 0 389.415 3.896 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772722494 878182830 /nfs/dbraw/zinc/18/28/30/878182830.db2.gz NMVMCFJDDFMSJP-IBGZPJMESA-N 1 0 386.536 3.645 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460563176 878193717 /nfs/dbraw/zinc/19/37/17/878193717.db2.gz CLUXJQYUXWMKIX-NRSPTQNISA-N 1 0 379.552 3.936 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(CC)Cc1ccc(OCc2ccccc2)cc1 ZINC000451595232 878221803 /nfs/dbraw/zinc/22/18/03/878221803.db2.gz CWUYKYMOAJLDFO-PKTZIBPZSA-N 1 0 394.515 3.547 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000852318816 878235284 /nfs/dbraw/zinc/23/52/84/878235284.db2.gz CCBIIEVDYWSRHT-SFTDATJTSA-N 1 0 378.472 3.533 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1F ZINC000852323585 878238196 /nfs/dbraw/zinc/23/81/96/878238196.db2.gz ZVHFDZCHBUWSGC-DNVCBOLYSA-N 1 0 377.891 3.575 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000455908869 878277387 /nfs/dbraw/zinc/27/73/87/878277387.db2.gz APJZQBIFDFAQBO-NRFANRHFSA-N 1 0 380.492 3.584 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(Cl)s1 ZINC000068310130 878285686 /nfs/dbraw/zinc/28/56/86/878285686.db2.gz QITYRBVTRIIZRZ-UHFFFAOYSA-N 1 0 375.925 3.796 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000068310436 878286003 /nfs/dbraw/zinc/28/60/03/878286003.db2.gz MCVMZVUUMYIWAL-UXHICEINSA-N 1 0 381.907 3.906 20 30 GHEDRO C[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000451706030 878333092 /nfs/dbraw/zinc/33/30/92/878333092.db2.gz JLKQXRNZIQVEBC-GOSISDBHSA-N 1 0 387.487 3.562 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(F)c1 ZINC000852474173 878357231 /nfs/dbraw/zinc/35/72/31/878357231.db2.gz UDYXHDQTEKPLCI-AEFFLSMTSA-N 1 0 397.416 3.853 20 30 GHEDRO CCCCCCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC(F)(F)F)C2)C1 ZINC001275118307 912346266 /nfs/dbraw/zinc/34/62/66/912346266.db2.gz CMPMQSLYXVANBB-GOSISDBHSA-N 1 0 378.479 3.850 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC000852600907 878456804 /nfs/dbraw/zinc/45/68/04/878456804.db2.gz NITPAOQJBBZKOC-GOSISDBHSA-N 1 0 379.426 3.571 20 30 GHEDRO O=C(N1CCC[C@@H](C2CC[NH+](CC#Cc3ccccc3)CC2)C1)C(F)(F)F ZINC000852601095 878456995 /nfs/dbraw/zinc/45/69/95/878456995.db2.gz OXLUMDQAUFLDNU-LJQANCHMSA-N 1 0 378.438 3.551 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000180068095 878459441 /nfs/dbraw/zinc/45/94/41/878459441.db2.gz LXFXBVPFLVKGNK-SFTDATJTSA-N 1 0 376.460 3.666 20 30 GHEDRO CN(C(=O)Nc1cccc(CC#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000455913151 878464176 /nfs/dbraw/zinc/46/41/76/878464176.db2.gz YOTUQVAJGYXPKO-FCHUYYIVSA-N 1 0 397.567 3.554 20 30 GHEDRO CCc1ccc(C(C)(C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000180101379 878473004 /nfs/dbraw/zinc/47/30/04/878473004.db2.gz BLZGVVVZDWGRNK-UHFFFAOYSA-N 1 0 387.487 3.770 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000068442269 878530411 /nfs/dbraw/zinc/53/04/11/878530411.db2.gz WIXLSPMJRGJNRI-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852728661 878554583 /nfs/dbraw/zinc/55/45/83/878554583.db2.gz FQYLZUYUQUJEKV-NHCUHLMSSA-N 1 0 385.895 3.888 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000852729534 878555416 /nfs/dbraw/zinc/55/54/16/878555416.db2.gz NNAHKVRKVFUSHB-LEWJYISDSA-N 1 0 385.895 3.888 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)c(C#N)c1C ZINC000852732229 878562415 /nfs/dbraw/zinc/56/24/15/878562415.db2.gz SGOTWJFAQKKXDL-MOPGFXCFSA-N 1 0 389.883 3.708 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852732270 878562942 /nfs/dbraw/zinc/56/29/42/878562942.db2.gz SWNJZSPODZQREO-DLBZAZTESA-N 1 0 377.897 3.559 20 30 GHEDRO C=CCCOCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000537951436 878573921 /nfs/dbraw/zinc/57/39/21/878573921.db2.gz NFKNQEJFNBXTPC-OAHLLOKOSA-N 1 0 387.261 3.687 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c1 ZINC000238058904 878658574 /nfs/dbraw/zinc/65/85/74/878658574.db2.gz QEEKNRDMDUTAFL-UHFFFAOYSA-N 1 0 377.488 3.781 20 30 GHEDRO C=CC[C@]1(C(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)CCC[NH2+]1 ZINC000852939651 878661241 /nfs/dbraw/zinc/66/12/41/878661241.db2.gz VJZHMHQRYAQNKK-HSZRJFAPSA-N 1 0 394.494 3.687 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccn(-c4ccccc4)n3)C2)c(F)c1 ZINC000537999688 878690248 /nfs/dbraw/zinc/69/02/48/878690248.db2.gz FBEWDXYDMKEHRM-IBGZPJMESA-N 1 0 375.451 3.642 20 30 GHEDRO COC[C@@H](C#N)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000789277547 878798412 /nfs/dbraw/zinc/79/84/12/878798412.db2.gz KLRLURISESUATR-QHAWAJNXSA-N 1 0 398.890 3.637 20 30 GHEDRO N#Cc1csc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000530970478 878850787 /nfs/dbraw/zinc/85/07/87/878850787.db2.gz FOBXFADLFVHGBF-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180395006 878858119 /nfs/dbraw/zinc/85/81/19/878858119.db2.gz FTOZBLYJPWHDKW-KRWDZBQOSA-N 1 0 380.448 3.809 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460944692 878869698 /nfs/dbraw/zinc/86/96/98/878869698.db2.gz HMINHYOBCARWHJ-FQEVSTJZSA-N 1 0 395.551 3.723 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C2(c3ccccc3C#N)CC2)CC1 ZINC001183293943 912400122 /nfs/dbraw/zinc/40/01/22/912400122.db2.gz XQLDHGUBGOBXKV-UHFFFAOYSA-N 1 0 391.490 3.852 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](CCCO)C2)ccc1OCc1cccc(C#N)c1 ZINC000452119820 878966986 /nfs/dbraw/zinc/96/69/86/878966986.db2.gz LIVFRJGFUJSFKZ-GOSISDBHSA-N 1 0 380.488 3.740 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000068775733 878990591 /nfs/dbraw/zinc/99/05/91/878990591.db2.gz GCOIIBMSQVIYAW-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000538247616 879079960 /nfs/dbraw/zinc/07/99/60/879079960.db2.gz CCWLLOMARDBSLF-UHFFFAOYSA-N 1 0 385.895 3.694 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000272161713 879273787 /nfs/dbraw/zinc/27/37/87/879273787.db2.gz HWLVPADWDXJEAV-GOSISDBHSA-N 1 0 391.515 3.940 20 30 GHEDRO C[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000246259229 879306861 /nfs/dbraw/zinc/30/68/61/879306861.db2.gz KKJAPYZKFACORL-HSZRJFAPSA-N 1 0 385.515 3.952 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)on2)c1 ZINC000789917791 879332104 /nfs/dbraw/zinc/33/21/04/879332104.db2.gz ZJPCMPFQZGVCKA-UHFFFAOYSA-N 1 0 392.503 3.988 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000461216806 879407679 /nfs/dbraw/zinc/40/76/79/879407679.db2.gz DWUCLZCQCLSFTP-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000461221382 879414297 /nfs/dbraw/zinc/41/42/97/879414297.db2.gz WJSQEHIBJPWIRG-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000461266215 879481443 /nfs/dbraw/zinc/48/14/43/879481443.db2.gz SADISNBRGILCJK-GOSISDBHSA-N 1 0 381.476 3.677 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000493506103 879510511 /nfs/dbraw/zinc/51/05/11/879510511.db2.gz DBYOLCKYNZIONT-GHTZIAJQSA-N 1 0 375.472 3.825 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](CC#N)c1ccccc1 ZINC001127611153 879522027 /nfs/dbraw/zinc/52/20/27/879522027.db2.gz OOWQHPHWKZNQRS-QFIPXVFZSA-N 1 0 376.504 3.844 20 30 GHEDRO C[NH+](C)Cc1cccc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 ZINC000531353484 879682245 /nfs/dbraw/zinc/68/22/45/879682245.db2.gz RQOSKYSDHHAWBY-QGZVFWFLSA-N 1 0 377.366 3.641 20 30 GHEDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)cc1 ZINC000776727603 879707469 /nfs/dbraw/zinc/70/74/69/879707469.db2.gz IBKHKMOORYLHFN-SFHVURJKSA-N 1 0 396.510 3.569 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461442269 879823517 /nfs/dbraw/zinc/82/35/17/879823517.db2.gz FKOKJVKBWXHUGA-MOPGFXCFSA-N 1 0 379.891 3.806 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000461451458 879895078 /nfs/dbraw/zinc/89/50/78/879895078.db2.gz DFRWRWROWROKLW-AWEZNQCLSA-N 1 0 380.492 3.896 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000854578032 879918130 /nfs/dbraw/zinc/91/81/30/879918130.db2.gz BPEPZOQKJADAGO-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO CC(C)C#CC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000854595659 879935908 /nfs/dbraw/zinc/93/59/08/879935908.db2.gz AGZMDUXYFMOSCR-HSZRJFAPSA-N 1 0 375.516 3.734 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCCC1 ZINC000494161808 879986109 /nfs/dbraw/zinc/98/61/09/879986109.db2.gz MVTYOMXFURTJFF-FQEVSTJZSA-N 1 0 395.503 3.971 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cc(C#N)c(Cl)cn3)nc3ccc(C)cc3n12 ZINC001170146469 880110283 /nfs/dbraw/zinc/11/02/83/880110283.db2.gz NZKUXOWSAFDBIT-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C\c3ccccc3Cl)CC2)cc1 ZINC000790941486 880116739 /nfs/dbraw/zinc/11/67/39/880116739.db2.gz XRIIVRQGEFLILW-KHPPLWFESA-N 1 0 379.891 3.959 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OCC)C2)cc1OC ZINC000776810629 880512010 /nfs/dbraw/zinc/51/20/10/880512010.db2.gz GHPYFBKIPCMAIY-WMZOPIPTSA-N 1 0 376.497 3.607 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000531847264 880599035 /nfs/dbraw/zinc/59/90/35/880599035.db2.gz AXMCHCBDSYLBRP-QGZVFWFLSA-N 1 0 385.533 3.758 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000776822357 880623940 /nfs/dbraw/zinc/62/39/40/880623940.db2.gz JEIGPIMKCQPBQJ-RDJZCZTQSA-N 1 0 382.426 3.904 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000453353472 880826646 /nfs/dbraw/zinc/82/66/46/880826646.db2.gz IARYZEMTDCOZJF-XJKSGUPXSA-N 1 0 391.284 3.962 20 30 GHEDRO C=CCC[C@H]([NH2+]CC1(N2CCN(c3ccccc3)CC2)CCOCC1)C1CC1 ZINC000453378170 880863629 /nfs/dbraw/zinc/86/36/29/880863629.db2.gz YREXAHIDNIUEEK-QHCPKHFHSA-N 1 0 383.580 3.692 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@H+](Cc3ccccc3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453464535 880969669 /nfs/dbraw/zinc/96/96/69/880969669.db2.gz LMYWOMZZHYNCSL-QHCPKHFHSA-N 1 0 395.551 3.592 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453449998 881004673 /nfs/dbraw/zinc/00/46/73/881004673.db2.gz GXJBJKMCLIUKQJ-WSTZPKSXSA-N 1 0 395.551 3.696 20 30 GHEDRO N#Cc1ccc2c(c1)N(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCC1(F)F)CC2 ZINC000556941765 881154318 /nfs/dbraw/zinc/15/43/18/881154318.db2.gz RSFXFWZMXXMYIQ-LJQANCHMSA-N 1 0 381.426 3.605 20 30 GHEDRO CC[C@@H]1C[C@@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)CCO1 ZINC001170183667 881195658 /nfs/dbraw/zinc/19/56/58/881195658.db2.gz SNAFRDWALGJQDY-XZOQPEGZSA-N 1 0 388.511 3.870 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cnc2ccsc2c1 ZINC000190602582 881215522 /nfs/dbraw/zinc/21/55/22/881215522.db2.gz FZJORLWGJQYWGF-IFXJQAMLSA-N 1 0 376.485 3.620 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cnc2ccsc2c1 ZINC000190602642 881217964 /nfs/dbraw/zinc/21/79/64/881217964.db2.gz FZJORLWGJQYWGF-KUHUBIRLSA-N 1 0 376.485 3.620 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cnc2ccsc2c1 ZINC000190602620 881218411 /nfs/dbraw/zinc/21/84/11/881218411.db2.gz FZJORLWGJQYWGF-LIRRHRJNSA-N 1 0 376.485 3.620 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(F)c(C)c(Br)c3)CC2)C1=O ZINC001275213340 912657807 /nfs/dbraw/zinc/65/78/07/912657807.db2.gz RWWJHMQWNXXXGR-UHFFFAOYSA-N 1 0 395.316 3.897 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CC1 ZINC000130696345 881336877 /nfs/dbraw/zinc/33/68/77/881336877.db2.gz FXUVBXAOVQNXCD-FQEVSTJZSA-N 1 0 379.529 3.921 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134941451 883125942 /nfs/dbraw/zinc/12/59/42/883125942.db2.gz UBBYJWBQQQUIQM-YLJYHZDGSA-N 1 0 385.577 3.852 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000476788206 883143273 /nfs/dbraw/zinc/14/32/73/883143273.db2.gz LUWWXCSDENQAAW-UHFFFAOYSA-N 1 0 378.520 3.938 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCOCC1 ZINC000858493032 883146281 /nfs/dbraw/zinc/14/62/81/883146281.db2.gz HDYNPPVYSSPLJP-LJQANCHMSA-N 1 0 385.508 3.599 20 30 GHEDRO C=C(C)C[C@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475752403 883188723 /nfs/dbraw/zinc/18/87/23/883188723.db2.gz PQHSPZPPMUTBSN-HNNXBMFYSA-N 1 0 394.357 3.737 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2)c1 ZINC000181853965 883188774 /nfs/dbraw/zinc/18/87/74/883188774.db2.gz ZRBUHETZXGXZKP-SJLPKXTDSA-N 1 0 381.476 3.536 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)COc2ccccc2C#N)CCCC1)c1ccccc1 ZINC000609480980 883243824 /nfs/dbraw/zinc/24/38/24/883243824.db2.gz DNXWAZCMCMOKDS-SFHVURJKSA-N 1 0 377.488 3.717 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729852970 883266263 /nfs/dbraw/zinc/26/62/63/883266263.db2.gz ZGXKCNJLLRDWDH-UGKGYDQZSA-N 1 0 398.466 3.687 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000609520526 883296472 /nfs/dbraw/zinc/29/64/72/883296472.db2.gz QIMHPVVHOGBIJQ-UHFFFAOYSA-N 1 0 378.476 3.692 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)c2)c1 ZINC000609643857 883475746 /nfs/dbraw/zinc/47/57/46/883475746.db2.gz YENSBJSCQCLHOH-UHFFFAOYSA-N 1 0 395.422 3.970 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[NH+](C)C ZINC000609663916 883508990 /nfs/dbraw/zinc/50/89/90/883508990.db2.gz MGXFWVSZRABEJA-NRFANRHFSA-N 1 0 379.504 3.843 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000476990991 883527305 /nfs/dbraw/zinc/52/73/05/883527305.db2.gz XZRBGTOYEWUOBU-FQEVSTJZSA-N 1 0 388.600 3.648 20 30 GHEDRO N#Cc1ccc([C@@H](NCc2ccc(OCc3cccc(F)c3)cc2)C(N)=O)cc1 ZINC000609675959 883533678 /nfs/dbraw/zinc/53/36/78/883533678.db2.gz ZXWMAKKJBQLTAP-JOCHJYFZSA-N 1 0 389.430 3.593 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000859095603 883585286 /nfs/dbraw/zinc/58/52/86/883585286.db2.gz VGRDNNBDVWFTJE-HXUWFJFHSA-N 1 0 375.472 3.659 20 30 GHEDRO N#CCCN(Cc1ccccn1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000859194005 883649039 /nfs/dbraw/zinc/64/90/39/883649039.db2.gz IJKYGKCFDCKENK-JOCHJYFZSA-N 1 0 388.515 3.626 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3cc(C#N)c4ccccc4n3)cc2)C[C@@H](C)O1 ZINC000609891580 883800045 /nfs/dbraw/zinc/80/00/45/883800045.db2.gz JQWDPEDMTGDZJM-QZTJIDSGSA-N 1 0 386.499 3.750 20 30 GHEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1 ZINC000777117504 883999347 /nfs/dbraw/zinc/99/93/47/883999347.db2.gz ZXFKWZVHQREBHH-MBSDFSHPSA-N 1 0 396.579 3.974 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c(OC)c1 ZINC000198121523 884087535 /nfs/dbraw/zinc/08/75/35/884087535.db2.gz ZQLINIYFGNSLBJ-JOCHJYFZSA-N 1 0 395.499 3.658 20 30 GHEDRO Cc1ccc(C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)cc1C#N ZINC001183755071 912801209 /nfs/dbraw/zinc/80/12/09/912801209.db2.gz OAZCBUOPYGWOBU-QGZVFWFLSA-N 1 0 375.472 3.811 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001275242701 912804816 /nfs/dbraw/zinc/80/48/16/912804816.db2.gz YOCZYUGOCJORGJ-UHFFFAOYSA-N 1 0 393.325 3.545 20 30 GHEDRO C[NH+](C)CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 ZINC000102723752 884373042 /nfs/dbraw/zinc/37/30/42/884373042.db2.gz NHVDTFFTDYAEIZ-UHFFFAOYSA-N 1 0 389.455 3.939 20 30 GHEDRO CCN(C(=O)CNc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000495059387 884463350 /nfs/dbraw/zinc/46/33/50/884463350.db2.gz NGBXAYFTCQMHGU-PGRDOPGGSA-N 1 0 376.504 3.654 20 30 GHEDRO COc1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)cc1OCCCC#N ZINC000897862752 884491719 /nfs/dbraw/zinc/49/17/19/884491719.db2.gz QFEPECNNHKGCCR-UHFFFAOYSA-N 1 0 394.471 3.928 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000806311701 884557451 /nfs/dbraw/zinc/55/74/51/884557451.db2.gz UNZDCOXSBFEZGI-HSZRJFAPSA-N 1 0 391.515 3.677 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)o1 ZINC000051183287 884670933 /nfs/dbraw/zinc/67/09/33/884670933.db2.gz WEWBXSBWDYKFBY-GTCCEBARSA-N 1 0 380.488 3.873 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)[NH+]1CCCCC1 ZINC000612132860 884678752 /nfs/dbraw/zinc/67/87/52/884678752.db2.gz LXWFFUJDARZXJT-SIKLNZKXSA-N 1 0 384.524 3.557 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC(C)C ZINC000127612926 884719801 /nfs/dbraw/zinc/71/98/01/884719801.db2.gz BITBILFBLMSZRI-IRXDYDNUSA-N 1 0 387.524 3.864 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSc1ccc(C#N)cc1 ZINC000103206597 884831180 /nfs/dbraw/zinc/83/11/80/884831180.db2.gz XLSBSQOGVPOFLN-HXUWFJFHSA-N 1 0 394.544 3.558 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=S)Nc2ccccc2C#N)c1 ZINC000806602952 884844210 /nfs/dbraw/zinc/84/42/10/884844210.db2.gz TUERXKXBWIUMGD-UHFFFAOYSA-N 1 0 381.505 3.647 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCCOc2ccccc2)CC1 ZINC000106037407 884935743 /nfs/dbraw/zinc/93/57/43/884935743.db2.gz YCSBZJUHFKHIRT-UHFFFAOYSA-N 1 0 394.515 3.915 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC1 ZINC000106040644 884938240 /nfs/dbraw/zinc/93/82/40/884938240.db2.gz IDTMBRWZRLVKTL-UHFFFAOYSA-N 1 0 381.476 3.611 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 ZINC000106260339 885019190 /nfs/dbraw/zinc/01/91/90/885019190.db2.gz OKADNNONHLCYCB-UHFFFAOYSA-N 1 0 394.519 3.500 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cnn(-c2ccccc2)c1 ZINC000054428482 885027086 /nfs/dbraw/zinc/02/70/86/885027086.db2.gz ZSXHDITUHKKOLT-UHFFFAOYSA-N 1 0 393.878 3.858 20 30 GHEDRO Cc1nc2sccn2c1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000860857604 885056253 /nfs/dbraw/zinc/05/62/53/885056253.db2.gz WWCSEPYPPXAFEL-UHFFFAOYSA-N 1 0 394.500 3.667 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460367001 885065451 /nfs/dbraw/zinc/06/54/51/885065451.db2.gz BOMDSRODBOYUID-OALUTQOASA-N 1 0 392.551 3.776 20 30 GHEDRO C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000556521170 885224458 /nfs/dbraw/zinc/22/44/58/885224458.db2.gz YMBCNASIPKICAA-KZULUSFZSA-N 1 0 399.292 3.784 20 30 GHEDRO C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000556521172 885225016 /nfs/dbraw/zinc/22/50/16/885225016.db2.gz YMBCNASIPKICAA-SGTLLEGYSA-N 1 0 399.292 3.784 20 30 GHEDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)c1 ZINC000104517280 885449200 /nfs/dbraw/zinc/44/92/00/885449200.db2.gz RDEBERSLDPTVNZ-UHFFFAOYSA-N 1 0 398.466 3.591 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000807469709 885465530 /nfs/dbraw/zinc/46/55/30/885465530.db2.gz KJCCZRFQWKUDPV-PKTZIBPZSA-N 1 0 381.564 3.919 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000131096838 885494968 /nfs/dbraw/zinc/49/49/68/885494968.db2.gz HFHZSSMRSBONTF-VXKWHMMOSA-N 1 0 384.568 3.505 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104702206 885569487 /nfs/dbraw/zinc/56/94/87/885569487.db2.gz AIFWJSLJILLEDV-JOCHJYFZSA-N 1 0 385.471 3.813 20 30 GHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000556598898 885633814 /nfs/dbraw/zinc/63/38/14/885633814.db2.gz DIORYQMGYYLXOJ-LBPRGKRZSA-N 1 0 385.265 3.828 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc(OC)c1OC ZINC000807741169 885675038 /nfs/dbraw/zinc/67/50/38/885675038.db2.gz YWVCFCLLKNFCSV-UTKZUKDTSA-N 1 0 394.515 3.825 20 30 GHEDRO Cc1cc(NC(=O)Cc2cccc(C#N)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000532515110 885910456 /nfs/dbraw/zinc/91/04/56/885910456.db2.gz VBZFUMBKCCXIRC-JOCHJYFZSA-N 1 0 399.498 3.691 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC000556747029 886049317 /nfs/dbraw/zinc/04/93/17/886049317.db2.gz JSSFXVPJFWSQOY-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC1CC[NH+](CC(C)C)CC1 ZINC000915227015 886066567 /nfs/dbraw/zinc/06/65/67/886066567.db2.gz KNEIURJHZYRSEG-UHFFFAOYSA-N 1 0 379.342 3.671 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2C)c1C#N ZINC000532582296 886175473 /nfs/dbraw/zinc/17/54/73/886175473.db2.gz VDHFERQVLQVOAK-CABCVRRESA-N 1 0 382.483 3.833 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000056170878 886183128 /nfs/dbraw/zinc/18/31/28/886183128.db2.gz QMVLYEBHZZNDCF-LJQANCHMSA-N 1 0 398.551 3.502 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000808287027 886191568 /nfs/dbraw/zinc/19/15/68/886191568.db2.gz HVKYWKTWVFXGKX-JCGIZDLHSA-N 1 0 379.907 3.819 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000808300364 886233762 /nfs/dbraw/zinc/23/37/62/886233762.db2.gz IMHPZABJZVNNRD-WQLSENKSSA-N 1 0 379.460 3.549 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C[C@H]1[NH+](C)C ZINC000495633650 886289801 /nfs/dbraw/zinc/28/98/01/886289801.db2.gz AREMYLPYWGNMQR-TZIWHRDSSA-N 1 0 395.528 3.777 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC001168233912 886361925 /nfs/dbraw/zinc/36/19/25/886361925.db2.gz ISGAZBUNSOWBFF-GOSISDBHSA-N 1 0 392.503 3.645 20 30 GHEDRO COC(=O)C1(CCCC[NH2+]Cc2cc(C#N)ccc2Br)CCC1 ZINC001184179830 913042994 /nfs/dbraw/zinc/04/29/94/913042994.db2.gz WGLAKTXMIAFYLP-UHFFFAOYSA-N 1 0 379.298 3.924 20 30 GHEDRO CC(C)(C)OC1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000118977143 886472403 /nfs/dbraw/zinc/47/24/03/886472403.db2.gz HYJOFLIIEUTGRC-KRWDZBQOSA-N 1 0 378.476 3.503 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000556896193 886495190 /nfs/dbraw/zinc/49/51/90/886495190.db2.gz FZHDFFKPHILVPD-IERDGZPVSA-N 1 0 377.463 3.508 20 30 GHEDRO N#CCC[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000131733785 886503887 /nfs/dbraw/zinc/50/38/87/886503887.db2.gz FBQLJGOZXADSEJ-QFIPXVFZSA-N 1 0 376.504 3.779 20 30 GHEDRO Cn1c(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)nc2cccc(Cl)c21 ZINC000556890745 886511092 /nfs/dbraw/zinc/51/10/92/886511092.db2.gz VPVJALJMCUQGQX-UHFFFAOYSA-N 1 0 379.895 3.857 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000862692181 886544720 /nfs/dbraw/zinc/54/47/20/886544720.db2.gz ZUONINZHRXVXRM-HSZRJFAPSA-N 1 0 391.515 3.500 20 30 GHEDRO C=CCNc1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000131967662 886622038 /nfs/dbraw/zinc/62/20/38/886622038.db2.gz QRDBNCRADNZDJG-RTBURBONSA-N 1 0 396.560 3.868 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC(C)(C)CC#N ZINC000459256773 886886313 /nfs/dbraw/zinc/88/63/13/886886313.db2.gz JBLSRFIKXBCRSP-UHFFFAOYSA-N 1 0 384.446 3.718 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1 ZINC000532662107 887262100 /nfs/dbraw/zinc/26/21/00/887262100.db2.gz HVGNSQUQKXKCTR-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000454234364 887323914 /nfs/dbraw/zinc/32/39/14/887323914.db2.gz ZDLMTHCDUVOGPB-YADHBBJMSA-N 1 0 379.504 3.558 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(C)C ZINC000496013065 887379692 /nfs/dbraw/zinc/37/96/92/887379692.db2.gz GSSYFLBQSTUDBL-IBGZPJMESA-N 1 0 386.536 3.550 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2ccccc2c1)C(C)C ZINC000915775402 887443592 /nfs/dbraw/zinc/44/35/92/887443592.db2.gz INXKYUUMPPZHIV-OAQYLSRUSA-N 1 0 379.504 3.593 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC1 ZINC000171737612 887540075 /nfs/dbraw/zinc/54/00/75/887540075.db2.gz GIMPXJYUZVBMAT-UHFFFAOYSA-N 1 0 381.524 3.827 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H](O)c1ccccc1 ZINC000794603377 887666675 /nfs/dbraw/zinc/66/66/75/887666675.db2.gz LGULCQFGMGFFCN-VHKYSDTDSA-N 1 0 397.544 3.783 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000171741062 887715231 /nfs/dbraw/zinc/71/52/31/887715231.db2.gz OAAFQEPMNBHMEM-UHFFFAOYSA-N 1 0 395.551 3.589 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670233872 887791334 /nfs/dbraw/zinc/79/13/34/887791334.db2.gz KIRWNOKIUJCJGQ-FQEVSTJZSA-N 1 0 377.492 3.825 20 30 GHEDRO CC(C)(C)c1csc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000864658976 887909262 /nfs/dbraw/zinc/90/92/62/887909262.db2.gz WULHSDWIONEQCR-UHFFFAOYSA-N 1 0 382.533 3.660 20 30 GHEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCCC2)cc1 ZINC000237337018 887919197 /nfs/dbraw/zinc/91/91/97/887919197.db2.gz CSCDAXJFJAZKBX-JPYJTQIMSA-N 1 0 379.504 3.913 20 30 GHEDRO N#Cc1cc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cnc1F ZINC001170594613 888071360 /nfs/dbraw/zinc/07/13/60/888071360.db2.gz DZHBJWXHDHSGLA-QFIPXVFZSA-N 1 0 390.462 3.568 20 30 GHEDRO CC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000810042778 888089708 /nfs/dbraw/zinc/08/97/08/888089708.db2.gz JIIJSNABGUBHMD-IAGOWNOFSA-N 1 0 378.476 3.503 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1Cl ZINC001275307231 913215783 /nfs/dbraw/zinc/21/57/83/913215783.db2.gz AGADZIIEBPNLSM-LJQANCHMSA-N 1 0 381.854 3.681 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3sccc3CC#N)cc2F)CC1 ZINC000865152387 888223046 /nfs/dbraw/zinc/22/30/46/888223046.db2.gz LMTLUBHODWBDJO-UHFFFAOYSA-N 1 0 386.496 3.736 20 30 GHEDRO C#Cc1ccccc1CC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000810174185 888257698 /nfs/dbraw/zinc/25/76/98/888257698.db2.gz PVOFTMLWJNAEFT-QFIPXVFZSA-N 1 0 376.500 3.562 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)c(OC[C@H]2CCOC2)c1 ZINC000865487599 888381362 /nfs/dbraw/zinc/38/13/62/888381362.db2.gz HPHYPFYERYBYFV-IBGZPJMESA-N 1 0 379.504 3.638 20 30 GHEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001132211655 888401635 /nfs/dbraw/zinc/40/16/35/888401635.db2.gz PFRFPKZFIUEJRY-UHFFFAOYSA-N 1 0 390.527 3.517 20 30 GHEDRO Brc1ccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000249999344 913244121 /nfs/dbraw/zinc/24/41/21/913244121.db2.gz PGYIJCFMNSHPPI-UHFFFAOYSA-N 1 0 375.266 3.836 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C1(c3ccc(C#N)cc3)CCOCC1)C2 ZINC000865642801 888496622 /nfs/dbraw/zinc/49/66/22/888496622.db2.gz LOEMIAUKPQIBSG-UHFFFAOYSA-N 1 0 397.519 3.553 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193877303 888532369 /nfs/dbraw/zinc/53/23/69/888532369.db2.gz PFWMOLNOSNKQGL-IEBWSBKVSA-N 1 0 378.476 3.621 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000237483535 888690480 /nfs/dbraw/zinc/69/04/80/888690480.db2.gz WVXXBWHSRUQUTJ-INIZCTEOSA-N 1 0 381.451 3.511 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810653662 888716223 /nfs/dbraw/zinc/71/62/23/888716223.db2.gz LHXRRWMPEIOXIY-HSZRJFAPSA-N 1 0 398.510 3.801 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(Cl)cnc2OC)no1 ZINC001211975495 888768872 /nfs/dbraw/zinc/76/88/72/888768872.db2.gz IPYVUHFUQHIGFC-HOCLYGCPSA-N 1 0 394.903 3.872 20 30 GHEDRO N#Cc1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)co1 ZINC000866241036 888794016 /nfs/dbraw/zinc/79/40/16/888794016.db2.gz UCVYMYKFOHYOCO-INIZCTEOSA-N 1 0 391.393 3.678 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000810701107 888809618 /nfs/dbraw/zinc/80/96/18/888809618.db2.gz PEUPREYENPUBPD-UHFFFAOYSA-N 1 0 375.516 3.688 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=S)NCCCCC(F)(F)F ZINC000794973487 889091639 /nfs/dbraw/zinc/09/16/39/889091639.db2.gz QIESLUKOOYZOHT-UHFFFAOYSA-N 1 0 386.487 3.529 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000454462275 889126334 /nfs/dbraw/zinc/12/63/34/889126334.db2.gz KPKGJSMWRYZYBZ-ARJAWSKDSA-N 1 0 392.341 3.802 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cn2)cc1 ZINC001132575562 889128899 /nfs/dbraw/zinc/12/88/99/889128899.db2.gz GQQJNOWGWPBACA-JOCHJYFZSA-N 1 0 399.498 3.654 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)c1ccccc1 ZINC000121874538 889190812 /nfs/dbraw/zinc/19/08/12/889190812.db2.gz ARDHYXIEWGMKCY-RTWAWAEBSA-N 1 0 395.503 3.895 20 30 GHEDRO Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc(Cl)n1 ZINC000868052072 889272211 /nfs/dbraw/zinc/27/22/11/889272211.db2.gz NGBLNBXFAWSOSZ-YOEHRIQHSA-N 1 0 396.800 3.725 20 30 GHEDRO C#Cc1cccc(NC(=S)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000795001098 889338740 /nfs/dbraw/zinc/33/87/40/889338740.db2.gz SYKHABODFJQNBU-UHFFFAOYSA-N 1 0 381.467 3.760 20 30 GHEDRO CCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000532948870 889360019 /nfs/dbraw/zinc/36/00/19/889360019.db2.gz RPPMGGDXBJUTTA-PGRDOPGGSA-N 1 0 376.504 3.654 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000532968402 889404280 /nfs/dbraw/zinc/40/42/80/889404280.db2.gz HJOKYPOIDFXFDB-RTBURBONSA-N 1 0 377.488 3.820 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000532970769 889409051 /nfs/dbraw/zinc/40/90/51/889409051.db2.gz YDOOUDFWLWSAMM-LZQZEXGQSA-N 1 0 375.900 3.676 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(F)c1 ZINC000532987040 889466332 /nfs/dbraw/zinc/46/63/32/889466332.db2.gz PJCFCZLCHCUFNQ-OAHLLOKOSA-N 1 0 377.341 3.611 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000454690863 889568229 /nfs/dbraw/zinc/56/82/29/889568229.db2.gz XIOFTYKCENEIEU-UHFFFAOYSA-N 1 0 382.464 3.821 20 30 GHEDRO CC(C)C[C@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC000811500486 889651020 /nfs/dbraw/zinc/65/10/20/889651020.db2.gz DYODNBGXUGJLQC-GOSISDBHSA-N 1 0 386.540 3.878 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454812150 889808069 /nfs/dbraw/zinc/80/80/69/889808069.db2.gz PNTLJQKZCAYIMR-RBBKRZOGSA-N 1 0 399.579 3.959 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000064361542 889918276 /nfs/dbraw/zinc/91/82/76/889918276.db2.gz LTCJHHZUCRVFHC-UHFFFAOYSA-N 1 0 390.940 3.700 20 30 GHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2cccc(OC)n2)[n+]2ccccc2)c1 ZINC000811724574 889922672 /nfs/dbraw/zinc/92/26/72/889922672.db2.gz PEGBVFURKZRHEO-UHFFFAOYSA-O 1 0 388.472 3.682 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1 ZINC001184732099 913399066 /nfs/dbraw/zinc/39/90/66/913399066.db2.gz UYTRCEAJXMMKMJ-JOCHJYFZSA-N 1 0 378.451 3.970 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000811875533 890069751 /nfs/dbraw/zinc/06/97/51/890069751.db2.gz XWBFBXLPANJZBC-OAQYLSRUSA-N 1 0 399.922 3.844 20 30 GHEDRO CCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533269818 890132757 /nfs/dbraw/zinc/13/27/57/890132757.db2.gz DXLDDPAKHOUERM-PGRDOPGGSA-N 1 0 376.504 3.654 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)C[C@H]2CCC[N@H+](C)C2)c1C#N ZINC000533294694 890214817 /nfs/dbraw/zinc/21/48/17/890214817.db2.gz BPNRJXBUGXEIHE-IBGZPJMESA-N 1 0 399.583 3.694 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c(O)c(OC)c1 ZINC000123164936 890388133 /nfs/dbraw/zinc/38/81/33/890388133.db2.gz JTFRKXLEFSWMBV-UHFFFAOYSA-N 1 0 380.488 3.524 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1C#N ZINC000533402610 890425112 /nfs/dbraw/zinc/42/51/12/890425112.db2.gz HZZDMMBCPIIIGZ-GOSISDBHSA-N 1 0 378.476 3.591 20 30 GHEDRO CSCC[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nnc2ccccn21 ZINC000123232935 890445237 /nfs/dbraw/zinc/44/52/37/890445237.db2.gz XSCUPDUVYKGXOI-LJQANCHMSA-N 1 0 394.548 3.663 20 30 GHEDRO Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000533422288 890462958 /nfs/dbraw/zinc/46/29/58/890462958.db2.gz UJCOOBPRBYFUEP-LJQANCHMSA-N 1 0 376.504 3.714 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3cc(C#N)sc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC001184819898 913460627 /nfs/dbraw/zinc/46/06/27/913460627.db2.gz HFZCWRSGYQWEMD-ZIAGYGMSSA-N 1 0 386.477 3.749 20 30 GHEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533426121 890531232 /nfs/dbraw/zinc/53/12/32/890531232.db2.gz YGVCXMMTGQDFGD-UHFFFAOYSA-N 1 0 384.274 3.974 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCc4cc(F)cc(F)c4C3)CC2)c1 ZINC001170676909 890587455 /nfs/dbraw/zinc/58/74/55/890587455.db2.gz IYRNQEQEIMBLIV-NRFANRHFSA-N 1 0 381.470 3.948 20 30 GHEDRO CCOc1ccc(CN2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)cc1 ZINC000916994924 890721890 /nfs/dbraw/zinc/72/18/90/890721890.db2.gz FAMKPYUKGKJOQT-UHFFFAOYSA-N 1 0 379.504 3.544 20 30 GHEDRO COc1cccc(CCC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000533497472 890741286 /nfs/dbraw/zinc/74/12/86/890741286.db2.gz ZQSWFHHSUIHJFA-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1=CC[N@H+](C)CC1 ZINC000543758147 913496146 /nfs/dbraw/zinc/49/61/46/913496146.db2.gz VNTDYDXMNZXCCG-KRWDZBQOSA-N 1 0 375.472 3.517 20 30 GHEDRO COc1cccc(OC)c1OC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000917062922 890898387 /nfs/dbraw/zinc/89/83/87/890898387.db2.gz WROSAMQNNJPCBK-UHFFFAOYSA-N 1 0 396.487 3.888 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000812762002 890911959 /nfs/dbraw/zinc/91/19/59/890911959.db2.gz REVRXSNINZLVGY-JTSKRJEESA-N 1 0 385.508 3.953 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000812762003 890912532 /nfs/dbraw/zinc/91/25/32/890912532.db2.gz REVRXSNINZLVGY-VGOFRKELSA-N 1 0 385.508 3.953 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CC2(CCC2)CO1 ZINC000871643182 890957189 /nfs/dbraw/zinc/95/71/89/890957189.db2.gz XGTZGZNRHZFEOY-KRWDZBQOSA-N 1 0 376.570 3.544 20 30 GHEDRO N#CCc1ccnc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000871718652 890989600 /nfs/dbraw/zinc/98/96/00/890989600.db2.gz JOXYMRBSIBNOQQ-UHFFFAOYSA-N 1 0 383.883 3.587 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1 ZINC000812799478 890993876 /nfs/dbraw/zinc/99/38/76/890993876.db2.gz JTDHEEGVPRNUGU-IRXDYDNUSA-N 1 0 378.476 3.748 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cccc(Br)n3)CC2)C1=O ZINC001275351060 913512413 /nfs/dbraw/zinc/51/24/13/913512413.db2.gz LXXZKMSUBWDONP-IBGZPJMESA-N 1 0 392.341 3.625 20 30 GHEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833853 891020912 /nfs/dbraw/zinc/02/09/12/891020912.db2.gz AKTQWFPVBRDUQG-QGZVFWFLSA-N 1 0 393.915 3.977 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812851739 891043634 /nfs/dbraw/zinc/04/36/34/891043634.db2.gz BIRWYGICITYMRY-YKSBVNFPSA-N 1 0 393.531 3.994 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455542880 891119812 /nfs/dbraw/zinc/11/98/12/891119812.db2.gz NRJPHGHPPNDRAL-HXUWFJFHSA-N 1 0 394.494 3.751 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872033180 891127619 /nfs/dbraw/zinc/12/76/19/891127619.db2.gz GHAHQQOJLCQKGQ-LPHOPBHVSA-N 1 0 379.342 3.767 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](c2nc3ccccc3[nH]2)C2CCCCC2)CCOCC1 ZINC000872238576 891214353 /nfs/dbraw/zinc/21/43/53/891214353.db2.gz IPZHQWUPIMMUGO-RXVVDRJESA-N 1 0 396.535 3.845 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c(-c2ccncc2)n1 ZINC000872258853 891218048 /nfs/dbraw/zinc/21/80/48/891218048.db2.gz DBMRDQOVECPXLP-NRFANRHFSA-N 1 0 379.508 3.782 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cccc2[nH]cc(C=NNCCCn3ccnc3)c21 ZINC000872387984 891252393 /nfs/dbraw/zinc/25/23/93/891252393.db2.gz VZPCICCKTJSAHV-UHFFFAOYSA-N 1 0 382.468 3.725 20 30 GHEDRO COc1cc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccc1C#N ZINC000825613159 891284417 /nfs/dbraw/zinc/28/44/17/891284417.db2.gz FSOFQAYDBMYBRS-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001126752584 891400300 /nfs/dbraw/zinc/40/03/00/891400300.db2.gz GVZYWOCYUOODGU-DENIHFKCSA-N 1 0 376.500 3.872 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000873303270 891568364 /nfs/dbraw/zinc/56/83/64/891568364.db2.gz HMIAHVAAVLKXGY-DYESRHJHSA-N 1 0 398.551 3.754 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1)C1CC[NH+](C)CC1 ZINC000917330947 891785955 /nfs/dbraw/zinc/78/59/55/891785955.db2.gz GTPYUQBQNNSEDH-INIZCTEOSA-N 1 0 382.533 3.610 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](C)N2CCCCC2)cc1OC ZINC000917397408 891894773 /nfs/dbraw/zinc/89/47/73/891894773.db2.gz OUCZCXFXMBPKRO-HNNXBMFYSA-N 1 0 397.357 3.987 20 30 GHEDRO CCOc1ccccc1CN(CCCn1ccnc1)C(=O)C#Cc1cccs1 ZINC000825707889 891966988 /nfs/dbraw/zinc/96/69/88/891966988.db2.gz ALJLTDLBBGKLJH-UHFFFAOYSA-N 1 0 393.512 3.814 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000813788461 891975439 /nfs/dbraw/zinc/97/54/39/891975439.db2.gz MAUYIJFOURASRN-ROUUACIJSA-N 1 0 391.487 3.806 20 30 GHEDRO CS[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1[NH+](C)C ZINC000497653325 892104688 /nfs/dbraw/zinc/10/46/88/892104688.db2.gz YGFJPSQDMYMEIM-UXHICEINSA-N 1 0 396.516 3.860 20 30 GHEDRO COc1ccc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c(CC#N)c1 ZINC001170719172 892174106 /nfs/dbraw/zinc/17/41/06/892174106.db2.gz WDZPLLYDQDBSMQ-MEMLXQNLSA-N 1 0 382.552 3.512 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000814183857 892377944 /nfs/dbraw/zinc/37/79/44/892377944.db2.gz OZJXOHADUNDNJX-BFNDQCEFSA-N 1 0 377.286 3.971 20 30 GHEDRO Cc1nc2sc3c(c2c(N=NC2CC[NH+](CC(C)(C)O)CC2)n1)CCCC3 ZINC000814213328 892400105 /nfs/dbraw/zinc/40/01/05/892400105.db2.gz ICGBSUOGCNUUID-UHFFFAOYSA-N 1 0 387.553 3.513 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000237852259 892487420 /nfs/dbraw/zinc/48/74/20/892487420.db2.gz QJGFYNFCGMDGDA-UHFFFAOYSA-N 1 0 390.531 3.962 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC001168276083 892599388 /nfs/dbraw/zinc/59/93/88/892599388.db2.gz QLJRXMNXLJKDCR-NRFANRHFSA-N 1 0 375.516 3.909 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c1C#N ZINC000533758904 892838028 /nfs/dbraw/zinc/83/80/28/892838028.db2.gz MHFDVTMZDMODEF-QFIPXVFZSA-N 1 0 378.472 3.607 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271793421 892876591 /nfs/dbraw/zinc/87/65/91/892876591.db2.gz JQQDDHHSQSMBFN-QWXGXRTQSA-N 1 0 388.558 3.991 20 30 GHEDRO N#Cc1ccccc1OCC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001134475385 892920819 /nfs/dbraw/zinc/92/08/19/892920819.db2.gz ZVYAMFZVCRRKGX-UHFFFAOYSA-N 1 0 389.499 3.551 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[NH+]1CCCCC1 ZINC000918029265 893002469 /nfs/dbraw/zinc/00/24/69/893002469.db2.gz GSJHSRBIQDAYMX-HNNXBMFYSA-N 1 0 383.521 3.601 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645243 893038114 /nfs/dbraw/zinc/03/81/14/893038114.db2.gz ZWOOFIRIZVQUTI-SFHVURJKSA-N 1 0 393.572 3.523 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000455706380 893061950 /nfs/dbraw/zinc/06/19/50/893061950.db2.gz PTHPXZTWYLSUAW-HNNXBMFYSA-N 1 0 382.895 3.974 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000814677718 893062197 /nfs/dbraw/zinc/06/21/97/893062197.db2.gz KLRXZBTZJAXCLY-PXNSSMCTSA-N 1 0 385.305 3.919 20 30 GHEDRO N#Cc1cc2c(n(CC3CCC(C#N)CC3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000918096534 893112952 /nfs/dbraw/zinc/11/29/52/893112952.db2.gz VBSFMMHFTOCZFI-UHFFFAOYSA-N 1 0 386.499 3.608 20 30 GHEDRO CC(C)(C)OC(=O)NC(=C[NH2+]Nc1nc(-c2ccccc2)no1)CC(F)(F)F ZINC000814829311 893211855 /nfs/dbraw/zinc/21/18/55/893211855.db2.gz PCHRIWQPPPTAOK-LBPRGKRZSA-N 1 0 399.373 3.980 20 30 GHEDRO CCOP(=O)(CCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)OCC ZINC000876511476 893214230 /nfs/dbraw/zinc/21/42/30/893214230.db2.gz JVSUPZXZQHPLMM-LJQANCHMSA-N 1 0 379.441 3.525 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000876640365 893268360 /nfs/dbraw/zinc/26/83/60/893268360.db2.gz SFHYQGCDQMDERZ-DZGCQCFKSA-N 1 0 395.290 3.566 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000876640368 893268413 /nfs/dbraw/zinc/26/84/13/893268413.db2.gz SFHYQGCDQMDERZ-ZFWWWQNUSA-N 1 0 395.290 3.566 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933871675 893273741 /nfs/dbraw/zinc/27/37/41/893273741.db2.gz JFBOGUSNPQJMOV-APWZRJJASA-N 1 0 387.549 3.958 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ncc(C2CCOCC2)s1)C(C)C ZINC000455792402 893288894 /nfs/dbraw/zinc/28/88/94/893288894.db2.gz KEYMBCILODLSLU-KRWDZBQOSA-N 1 0 392.569 3.857 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(C4CC4)cn3)CC2)c1 ZINC000933959507 893324454 /nfs/dbraw/zinc/32/44/54/893324454.db2.gz DCWXRAUVIZPWSA-UHFFFAOYSA-N 1 0 375.476 3.617 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000876866405 893366609 /nfs/dbraw/zinc/36/66/09/893366609.db2.gz FIFDQIKLKMGJET-LJQANCHMSA-N 1 0 384.568 3.975 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000876946661 893399017 /nfs/dbraw/zinc/39/90/17/893399017.db2.gz UOTQWJJAXOPHIU-SQNIBIBYSA-N 1 0 389.515 3.628 20 30 GHEDRO C=CCCC[N@@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000536680943 893494954 /nfs/dbraw/zinc/49/49/54/893494954.db2.gz IHXDGIZNXBQVSL-UHFFFAOYSA-N 1 0 375.250 3.706 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000877579366 893701138 /nfs/dbraw/zinc/70/11/38/893701138.db2.gz QCVOMEUIGNYBCZ-NZSAHSFTSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H]1CN(c2ccccc2C[NH2+]C2CCN(c3ccccc3C#N)CC2)CCO1 ZINC000877681711 893758573 /nfs/dbraw/zinc/75/85/73/893758573.db2.gz ALKDKTAHSKSNNB-IBGZPJMESA-N 1 0 390.531 3.542 20 30 GHEDRO N#CC1(NC(=O)Nc2ccc(F)c(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC001185350806 913805601 /nfs/dbraw/zinc/80/56/01/913805601.db2.gz WCLZPDBDZCXYGW-UHFFFAOYSA-N 1 0 388.393 3.784 20 30 GHEDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000877822151 893834234 /nfs/dbraw/zinc/83/42/34/893834234.db2.gz PEZWSVSKSDJHPL-SFHVURJKSA-N 1 0 380.492 3.629 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459637208 893951260 /nfs/dbraw/zinc/95/12/60/893951260.db2.gz IDJTXGIANXWMML-WMLDXEAASA-N 1 0 395.425 3.566 20 30 GHEDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459644909 893964407 /nfs/dbraw/zinc/96/44/07/893964407.db2.gz PVNMHTBLBYPZKE-CABCVRRESA-N 1 0 382.533 3.831 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000878051603 893982308 /nfs/dbraw/zinc/98/23/08/893982308.db2.gz MSYHSOFHPWUIJP-DEOSSOPVSA-N 1 0 387.483 3.842 20 30 GHEDRO Cn1cc(CN(CC[NH+](C)C)Cc2ccsc2)c(-c2ccc(C#N)cc2)n1 ZINC000459760157 894151889 /nfs/dbraw/zinc/15/18/89/894151889.db2.gz WMRHQIWLDWLPHI-UHFFFAOYSA-N 1 0 379.533 3.584 20 30 GHEDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C#N)c1 ZINC001185364891 913841977 /nfs/dbraw/zinc/84/19/77/913841977.db2.gz URHRCKXQEJHSKT-SFHVURJKSA-N 1 0 397.544 3.577 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000563795954 894202291 /nfs/dbraw/zinc/20/22/91/894202291.db2.gz FGZPYPFGQMEGJP-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO C=CCCc1ccc(C(=O)N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)c(=O)[nH]1 ZINC001185371632 913846612 /nfs/dbraw/zinc/84/66/12/913846612.db2.gz IWDZMGYCCQNVEU-UHFFFAOYSA-N 1 0 399.922 3.735 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022692177 894282385 /nfs/dbraw/zinc/28/23/85/894282385.db2.gz LRWPJJLSDZAREK-INIZCTEOSA-O 1 0 389.566 3.614 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 ZINC000022798121 894408542 /nfs/dbraw/zinc/40/85/42/894408542.db2.gz HLSWBHYRUUVLGP-UHFFFAOYSA-O 1 0 394.564 3.633 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)c1ccccc1 ZINC000878605772 894431815 /nfs/dbraw/zinc/43/18/15/894431815.db2.gz MKJHLTSPTTZGRT-ZFFYZDHPSA-N 1 0 388.511 3.932 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C)c1ccccc1 ZINC000878814782 894637616 /nfs/dbraw/zinc/63/76/16/894637616.db2.gz UHRNRNLVQDPPKW-KPDCDPCYSA-N 1 0 399.535 3.805 20 30 GHEDRO Cc1nsc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177778 894689919 /nfs/dbraw/zinc/68/99/19/894689919.db2.gz HIOWMTDBQPSKSK-GJZGRUSLSA-N 1 0 393.875 3.683 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897571974 895087608 /nfs/dbraw/zinc/08/76/08/895087608.db2.gz DKRKKSBOKAXTDG-PKTZIBPZSA-N 1 0 390.531 3.825 20 30 GHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H](Cc2ccccn2)C(=O)OCC)cc1 ZINC001170845126 895096294 /nfs/dbraw/zinc/09/62/94/895096294.db2.gz RZBBWBPUWPVHSN-FCHUYYIVSA-N 1 0 379.504 3.991 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000817018452 895262705 /nfs/dbraw/zinc/26/27/05/895262705.db2.gz FPNPFADYOUNDGA-SFHVURJKSA-N 1 0 389.337 3.534 20 30 GHEDRO Cn1cc(CN2CC(C(=O)N3CC(C)(C)c4ccc(C5CC5)cc43)C2)cc1C#N ZINC000565257111 895482041 /nfs/dbraw/zinc/48/20/41/895482041.db2.gz AQMIBMKKTIRVBV-UHFFFAOYSA-N 1 0 388.515 3.530 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223200 895579743 /nfs/dbraw/zinc/57/97/43/895579743.db2.gz WULUTQCDUWXFSZ-SGXKBVARSA-N 1 0 395.528 3.659 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)CC1 ZINC000565673801 895798617 /nfs/dbraw/zinc/79/86/17/895798617.db2.gz VMVGKJQDDYUYED-QGZVFWFLSA-N 1 0 380.414 3.721 20 30 GHEDRO CCCCCCOC(=O)CCC(=O)CNc1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001170879586 895913049 /nfs/dbraw/zinc/91/30/49/895913049.db2.gz YAFRNAUOCSZGPQ-LFVJCYFKSA-N 1 0 386.496 3.664 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000565856227 895933919 /nfs/dbraw/zinc/93/39/19/895933919.db2.gz OGYCDHQRAUKDBL-UHFFFAOYSA-N 1 0 397.563 3.505 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)CC2)CC1 ZINC000880925320 896001214 /nfs/dbraw/zinc/00/12/14/896001214.db2.gz RPUSYBMDQCPHBU-QGZVFWFLSA-N 1 0 394.441 3.679 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCCN1c2ccccc2Sc2ccccc21 ZINC000818073608 896015708 /nfs/dbraw/zinc/01/57/08/896015708.db2.gz JCFMKLHNFFGZEC-MRXNPFEDSA-N 1 0 380.517 3.817 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)n1-c1ccc(C#N)cc1 ZINC000818171107 896054385 /nfs/dbraw/zinc/05/43/85/896054385.db2.gz UHOSBPLALSSVMC-QHCPKHFHSA-N 1 0 376.504 3.524 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881471006 896349443 /nfs/dbraw/zinc/34/94/43/896349443.db2.gz YYGGFBVEVFFETR-FQEVSTJZSA-N 1 0 389.499 3.598 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000819069595 896385885 /nfs/dbraw/zinc/38/58/85/896385885.db2.gz XOZWQZGWIMXGHE-HNAYVOBHSA-N 1 0 389.293 3.953 20 30 GHEDRO CN1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000819195416 896467210 /nfs/dbraw/zinc/46/72/10/896467210.db2.gz CKUDVRDMHRWJGR-DUXKGJEZSA-N 1 0 387.886 3.667 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(C(=O)CCc3ccccc3)C2)c(O)c1 ZINC000129360976 896600828 /nfs/dbraw/zinc/60/08/28/896600828.db2.gz WQGABOUKIWVBEQ-DIWDRYHZSA-N 1 0 393.531 3.891 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000566888190 896667412 /nfs/dbraw/zinc/66/74/12/896667412.db2.gz YHANQIBOPNKHSX-TZIWHRDSSA-N 1 0 376.460 3.957 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)[C@H](c2cnn(C)c2)C1 ZINC000882309173 896751990 /nfs/dbraw/zinc/75/19/90/896751990.db2.gz SCHHLMHAACBGIC-YADHBBJMSA-N 1 0 391.519 3.622 20 30 GHEDRO N#CC1(c2ccc(C(=O)Nc3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)cc3)cc2)CC1 ZINC000882396081 896788740 /nfs/dbraw/zinc/78/87/40/896788740.db2.gz ZPCBCFKWVXMHIY-JOCHJYFZSA-N 1 0 386.499 3.778 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000567035211 896818872 /nfs/dbraw/zinc/81/88/72/896818872.db2.gz TVYUKXBZSKQMNG-ZDUSSCGKSA-N 1 0 387.867 3.736 20 30 GHEDRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000567279883 897029705 /nfs/dbraw/zinc/02/97/05/897029705.db2.gz FJMAQVUVIIYVRC-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO C#C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000820496662 897340211 /nfs/dbraw/zinc/34/02/11/897340211.db2.gz XZTPSOJHPRHNPG-QFIPXVFZSA-N 1 0 379.479 3.806 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000883219535 897381170 /nfs/dbraw/zinc/38/11/70/897381170.db2.gz VDQPNEQIWPMXKF-HZPDHXFCSA-N 1 0 391.455 3.712 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccc(Cl)cc1 ZINC000820553829 897390489 /nfs/dbraw/zinc/39/04/89/897390489.db2.gz WPWNMZRHTQJLOG-GOSISDBHSA-N 1 0 375.925 3.849 20 30 GHEDRO C=C(C)CN1CCC([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000568618406 897988481 /nfs/dbraw/zinc/98/84/81/897988481.db2.gz MNEYZOGEWPRJCZ-HXUWFJFHSA-N 1 0 377.532 3.786 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103236254 898075057 /nfs/dbraw/zinc/07/50/57/898075057.db2.gz VBXQUOIPXWQORR-LJQANCHMSA-N 1 0 398.551 3.722 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000282847698 898126382 /nfs/dbraw/zinc/12/63/82/898126382.db2.gz WQVMSCNVJDFKTF-UHFFFAOYSA-N 1 0 383.540 3.659 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000106039181 898248011 /nfs/dbraw/zinc/24/80/11/898248011.db2.gz WSVRRBGEHCVDMN-UHFFFAOYSA-N 1 0 395.341 3.547 20 30 GHEDRO CC[C@@H]1[C@@H](C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C ZINC001136592382 898409306 /nfs/dbraw/zinc/40/93/06/898409306.db2.gz XTFAGCQNTFNATA-FDFHNCONSA-N 1 0 377.488 3.677 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4CCc5cccc(F)c5C4)C3)CC2=O)c1 ZINC001170995051 898568668 /nfs/dbraw/zinc/56/86/68/898568668.db2.gz ABCWYRLXDQYHGR-NTKDMRAZSA-N 1 0 389.474 3.684 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)ccn1 ZINC000289621833 914266982 /nfs/dbraw/zinc/26/69/82/914266982.db2.gz BEDIIEHBFFAZKW-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](CCc3c(Cl)cccc3Cl)C2)C1=O ZINC001276331598 914267880 /nfs/dbraw/zinc/26/78/80/914267880.db2.gz LPWYXLOGWMVFRT-LJQANCHMSA-N 1 0 381.303 3.563 20 30 GHEDRO COc1cc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)ccc1C#N ZINC000822820302 898652278 /nfs/dbraw/zinc/65/22/78/898652278.db2.gz FLDPOAWADQICPF-HXUWFJFHSA-N 1 0 393.487 3.532 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000569453034 898678518 /nfs/dbraw/zinc/67/85/18/898678518.db2.gz TZVKXCALOMNAHP-YQVWRLOYSA-N 1 0 376.460 3.860 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000884057536 898708094 /nfs/dbraw/zinc/70/80/94/898708094.db2.gz JWFZVOWSFJAUEN-RIMHVDHWSA-N 1 0 379.891 3.685 20 30 GHEDRO CC1(C(=O)OCCCC2(C#N)CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000800204181 898738833 /nfs/dbraw/zinc/73/88/33/898738833.db2.gz BYOCYQOWCGIYDC-UHFFFAOYSA-N 1 0 384.520 3.932 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000569546475 898771951 /nfs/dbraw/zinc/77/19/51/898771951.db2.gz ATJGPOYPUBCMEA-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C2 ZINC000884079000 898804647 /nfs/dbraw/zinc/80/46/47/898804647.db2.gz DMWYTVFBRKDMRQ-XQCDLMLLSA-N 1 0 378.303 3.796 20 30 GHEDRO N#Cc1cc(I)c(Nc2cccc3c2CC[NH2+]C3)cc1F ZINC001160205983 898899982 /nfs/dbraw/zinc/89/99/82/898899982.db2.gz GWFRCFMSAIGJEE-UHFFFAOYSA-N 1 0 393.203 3.691 20 30 GHEDRO C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1Oc1ccccc1 ZINC000884117916 898945194 /nfs/dbraw/zinc/94/51/94/898945194.db2.gz PEIYLCGUILVKAO-OQXXTQHASA-N 1 0 375.472 3.795 20 30 GHEDRO CC(C)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884120418 898952906 /nfs/dbraw/zinc/95/29/06/898952906.db2.gz LJLCXCPJYHISJJ-LBXLTVQDSA-N 1 0 379.426 3.658 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1C ZINC000331544474 898970635 /nfs/dbraw/zinc/97/06/35/898970635.db2.gz GYTWBLWWMLNYPL-CZEIZJIKSA-N 1 0 397.563 3.812 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000114472671 899088514 /nfs/dbraw/zinc/08/85/14/899088514.db2.gz VMHGSULSDNYFMT-ZWKOTPCHSA-N 1 0 381.524 3.557 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1[nH]c2ccccc2c1C#N ZINC001136742203 899119124 /nfs/dbraw/zinc/11/91/24/899119124.db2.gz GKAVXYFYLXPDTR-SFHVURJKSA-N 1 0 387.487 3.561 20 30 GHEDRO Cc1ccc(SC2(CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CCCC2)cc1 ZINC000884170586 899178965 /nfs/dbraw/zinc/17/89/65/899178965.db2.gz AAYXDUGOHUOCSX-WBTXTPOCSA-N 1 0 383.561 3.656 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C#N)cc1N(C)C ZINC000331820045 899188307 /nfs/dbraw/zinc/18/83/07/899188307.db2.gz PXZDUOSONHECGE-LJQANCHMSA-N 1 0 397.567 3.909 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000331988994 899322755 /nfs/dbraw/zinc/32/27/55/899322755.db2.gz UQUXVIACSYWZCS-VBKZILBWSA-N 1 0 375.538 3.574 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000570683711 899505540 /nfs/dbraw/zinc/50/55/40/899505540.db2.gz JJWKFJRDZMMLLX-YPIGPJMWSA-N 1 0 389.499 3.604 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000570836684 899628968 /nfs/dbraw/zinc/62/89/68/899628968.db2.gz JPELRRLXLRSNAL-IFMALSPDSA-N 1 0 392.499 3.702 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000332586050 899780266 /nfs/dbraw/zinc/78/02/66/899780266.db2.gz DPZSFRSDUNLQIQ-CVEARBPZSA-N 1 0 396.413 3.590 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136937152 899814986 /nfs/dbraw/zinc/81/49/86/899814986.db2.gz XFCTYEVBKNPGLB-PZJWPPBQSA-N 1 0 381.463 3.904 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000045757339 900398644 /nfs/dbraw/zinc/39/86/44/900398644.db2.gz FIZPAZXHNQBZLR-GOSISDBHSA-N 1 0 376.504 3.892 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000844303774 900690903 /nfs/dbraw/zinc/69/09/03/900690903.db2.gz BGUFEKVRHHSGLN-UHFFFAOYSA-N 1 0 388.468 3.734 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000844329773 900702192 /nfs/dbraw/zinc/70/21/92/900702192.db2.gz JDJOLEWMYDTQQO-HNNXBMFYSA-N 1 0 378.432 3.834 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000844359771 900766532 /nfs/dbraw/zinc/76/65/32/900766532.db2.gz PIGHIRIVYCIJIL-PWRODBHTSA-N 1 0 399.535 3.843 20 30 GHEDRO C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367476 900778927 /nfs/dbraw/zinc/77/89/27/900778927.db2.gz BQSJQADMWVIILM-HXUWFJFHSA-N 1 0 387.524 3.561 20 30 GHEDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1OCCCC#N ZINC000290021016 914484152 /nfs/dbraw/zinc/48/41/52/914484152.db2.gz ZPKYZSKZNKEGJX-REWPJTCUSA-N 1 0 380.488 3.634 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)CCC1 ZINC000886297572 900922078 /nfs/dbraw/zinc/92/20/78/900922078.db2.gz UZIIDRYIYYSIRX-LJQANCHMSA-N 1 0 386.540 3.817 20 30 GHEDRO N#Cc1cncc(C[N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)c1 ZINC001144074686 901037930 /nfs/dbraw/zinc/03/79/30/901037930.db2.gz ZYZPVQZIHOJNKH-NOZRDPDXSA-N 1 0 398.510 3.998 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc4cccnc43)CC2)cc1 ZINC000068841861 901098463 /nfs/dbraw/zinc/09/84/63/901098463.db2.gz BQKQCIQMEJJAHL-UHFFFAOYSA-N 1 0 399.498 3.524 20 30 GHEDRO COc1ccc([C@H](C[N@H+](C)Cc2ccc(C#N)cn2)C2(O)CCCCC2)cc1 ZINC001144163659 901141418 /nfs/dbraw/zinc/14/14/18/901141418.db2.gz PVAANKBREWIELR-QFIPXVFZSA-N 1 0 379.504 3.873 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)nc1 ZINC001144160147 901173995 /nfs/dbraw/zinc/17/39/95/901173995.db2.gz ALHPFQISWWXXIY-UHFFFAOYSA-N 1 0 388.515 3.718 20 30 GHEDRO C#CCN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C)C1CC[NH+](C)CC1 ZINC000886577321 901174999 /nfs/dbraw/zinc/17/49/99/901174999.db2.gz DLEITRMHHWMTFB-UHFFFAOYSA-N 1 0 385.508 3.512 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccccc1OCC#N ZINC000844715054 901193655 /nfs/dbraw/zinc/19/36/55/901193655.db2.gz FMHLAFRTTZAPDW-GBESFXJTSA-N 1 0 377.488 3.712 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)n2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000844713692 901194015 /nfs/dbraw/zinc/19/40/15/901194015.db2.gz DIVFJYDIVBPMFH-BZUAXINKSA-N 1 0 382.895 3.730 20 30 GHEDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)cc1 ZINC000886688107 901227844 /nfs/dbraw/zinc/22/78/44/901227844.db2.gz KPXNNXJNPHBTLA-CQSZACIVSA-N 1 0 389.546 3.893 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccc(-n5cccc5)cc4)C3)CC2=O)c1 ZINC001144246677 901451381 /nfs/dbraw/zinc/45/13/81/901451381.db2.gz FFLUEQGUVPHPPL-VWLOTQADSA-N 1 0 396.494 3.978 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc(OC)c1O ZINC000092484812 901496652 /nfs/dbraw/zinc/49/66/52/901496652.db2.gz UKFYFXKXEIIHLE-UHFFFAOYSA-N 1 0 386.517 3.585 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc(OC)c1O ZINC000093842151 901569352 /nfs/dbraw/zinc/56/93/52/901569352.db2.gz SPDFFRHXIOZXQT-HXUWFJFHSA-N 1 0 375.509 3.679 20 30 GHEDRO COc1c(C)cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C ZINC000845001412 901629725 /nfs/dbraw/zinc/62/97/25/901629725.db2.gz ARRJVICFFYRFCZ-UHFFFAOYSA-N 1 0 377.488 3.578 20 30 GHEDRO Cc1cc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000290188634 914565446 /nfs/dbraw/zinc/56/54/46/914565446.db2.gz QEUGZGUFJJWHCZ-FQEVSTJZSA-N 1 0 394.523 3.529 20 30 GHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000123058107 901891468 /nfs/dbraw/zinc/89/14/68/901891468.db2.gz GPRQBJKSLMHMLU-CYBMUJFWSA-N 1 0 388.874 3.812 20 30 GHEDRO COc1cc(C#N)cc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)c1OC(C)=O ZINC001171169630 901941663 /nfs/dbraw/zinc/94/16/63/901941663.db2.gz QQYBCAZTTGBMGV-CQSZACIVSA-N 1 0 377.444 3.634 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000576588462 902112902 /nfs/dbraw/zinc/11/29/02/902112902.db2.gz GCYPLZHTKISQJG-AWEZNQCLSA-N 1 0 377.822 3.565 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](CCc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001275533745 914601780 /nfs/dbraw/zinc/60/17/80/914601780.db2.gz ZUNJSGXAXZTLNX-IBGZPJMESA-N 1 0 397.350 3.607 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(C(=O)c2ccccc2F)CC1 ZINC001171194012 902291638 /nfs/dbraw/zinc/29/16/38/902291638.db2.gz FIRNGIFEFHYVPB-QGZVFWFLSA-N 1 0 379.479 3.770 20 30 GHEDRO C#Cc1ccc(C[N@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)cc1 ZINC001144571970 902403798 /nfs/dbraw/zinc/40/37/98/902403798.db2.gz MEADWGFMXWOGKW-QFIPXVFZSA-N 1 0 392.474 3.674 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000577152898 902544517 /nfs/dbraw/zinc/54/45/17/902544517.db2.gz MBWWWPXUBGROQH-UHFFFAOYSA-N 1 0 383.540 3.662 20 30 GHEDRO N#C[C@@H]1N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CCC[C@]12CCCCO2 ZINC000334117012 902565531 /nfs/dbraw/zinc/56/55/31/902565531.db2.gz HYQREFAXICJJSN-JTHBVZDNSA-N 1 0 381.520 3.740 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)Cc3cccc(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001171211402 902648530 /nfs/dbraw/zinc/64/85/30/902648530.db2.gz DHTVVHXPJSRFDW-ZOSUSCCZSA-N 1 0 399.538 3.993 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NC2CCOCC2)cc1 ZINC000263901692 902664562 /nfs/dbraw/zinc/66/45/62/902664562.db2.gz AXCKJHNLAKTVAR-UHFFFAOYSA-O 1 0 389.566 3.614 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC2CCOCC2)[n+]2cccc(C)c2)c1 ZINC000263909006 902673248 /nfs/dbraw/zinc/67/32/48/902673248.db2.gz JGJHCPOOOGVIAA-UHFFFAOYSA-O 1 0 383.537 3.607 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000047960162 902683787 /nfs/dbraw/zinc/68/37/87/902683787.db2.gz LCXOWDWGCKUEOU-IBGZPJMESA-N 1 0 396.535 3.953 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001171216739 902779685 /nfs/dbraw/zinc/77/96/85/902779685.db2.gz KIFOPEVATCDLLW-SFHVURJKSA-N 1 0 390.487 3.901 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000577500043 902825644 /nfs/dbraw/zinc/82/56/44/902825644.db2.gz JOSSFCDSSYOWET-JOCHJYFZSA-N 1 0 391.540 3.637 20 30 GHEDRO COc1cccc([C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)c2cc(F)ccc2OC)c1 ZINC000600727902 902851293 /nfs/dbraw/zinc/85/12/93/902851293.db2.gz LKZYDCZKHGUXDH-LAUBAEHRSA-N 1 0 384.451 3.577 20 30 GHEDRO CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000600733668 902856959 /nfs/dbraw/zinc/85/69/59/902856959.db2.gz LNJUXEIYZHJGAL-QGZVFWFLSA-N 1 0 384.442 3.644 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3ccc(CN4CC[NH2+]CC4)s3)cc2)c(CO)c1 ZINC000600780077 902906037 /nfs/dbraw/zinc/90/60/37/902906037.db2.gz IJTLKHNTBHBJHH-UHFFFAOYSA-N 1 0 389.524 3.851 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001171221801 902909404 /nfs/dbraw/zinc/90/94/04/902909404.db2.gz VCOZKZJYVDVCRY-HNNXBMFYSA-N 1 0 389.425 3.510 20 30 GHEDRO C[N@H+](CCc1ccc(Br)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000303345159 914670420 /nfs/dbraw/zinc/67/04/20/914670420.db2.gz WWYLPQITKPJTOR-IBGZPJMESA-N 1 0 398.304 3.601 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001171223708 902942790 /nfs/dbraw/zinc/94/27/90/902942790.db2.gz NRIYCQKSFMLTHK-CDNPAEQRSA-N 1 0 389.499 3.975 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000048149550 902957498 /nfs/dbraw/zinc/95/74/98/902957498.db2.gz SHMLLLGORAJJOQ-NRFANRHFSA-N 1 0 392.503 3.561 20 30 GHEDRO Cc1cc(N2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)n(-c2ccccc2)n1 ZINC001171230053 903044358 /nfs/dbraw/zinc/04/43/58/903044358.db2.gz SDNMMLAEEDNVJI-FQEVSTJZSA-N 1 0 385.515 3.806 20 30 GHEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000132073578 903202979 /nfs/dbraw/zinc/20/29/79/903202979.db2.gz MOBIVPDFXKFGNF-HXUWFJFHSA-N 1 0 397.544 3.670 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C2CCOCC2)cc1 ZINC000601019336 903233021 /nfs/dbraw/zinc/23/30/21/903233021.db2.gz HWMKGFWXUPVRLA-UHFFFAOYSA-N 1 0 391.515 3.656 20 30 GHEDRO CN(c1ncc(C#N)c2ccsc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000601108088 903339467 /nfs/dbraw/zinc/33/94/67/903339467.db2.gz BNVFQIPSEURQKL-UHFFFAOYSA-N 1 0 377.517 3.706 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772958397 903342494 /nfs/dbraw/zinc/34/24/94/903342494.db2.gz GCVCWMQHLDRUAM-CQSZACIVSA-N 1 0 387.867 3.758 20 30 GHEDRO CSc1nc2[nH]ccc2c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171274180 903465566 /nfs/dbraw/zinc/46/55/66/903465566.db2.gz SWEMIDNYEPPGCR-UHFFFAOYSA-N 1 0 378.505 3.650 20 30 GHEDRO Cc1cc2c(nc(Cl)nc2NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001171274210 903465577 /nfs/dbraw/zinc/46/55/77/903465577.db2.gz VGTIMEFOWBSSFX-UHFFFAOYSA-N 1 0 380.883 3.890 20 30 GHEDRO COc1ccc2c(C)nc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC001171275333 903475197 /nfs/dbraw/zinc/47/51/97/903475197.db2.gz XHJGPVUUDCPPGN-UHFFFAOYSA-N 1 0 387.487 3.917 20 30 GHEDRO CCOC(=O)c1cc(Cl)cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171274967 903477586 /nfs/dbraw/zinc/47/75/86/903477586.db2.gz RKRTZIQVKXEWOP-UHFFFAOYSA-N 1 0 398.894 3.882 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000578107880 903525167 /nfs/dbraw/zinc/52/51/67/903525167.db2.gz KEMNCSIHYDMKKS-QHCPKHFHSA-N 1 0 389.499 3.588 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC000887704733 903538674 /nfs/dbraw/zinc/53/86/74/903538674.db2.gz RRRSDXMIBOUXQA-QHCPKHFHSA-N 1 0 388.515 3.571 20 30 GHEDRO COC(=O)c1c(C)c(OC)ccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277907 903560189 /nfs/dbraw/zinc/56/01/89/903560189.db2.gz YFIGLMZBPKTSQS-UHFFFAOYSA-N 1 0 393.487 3.761 20 30 GHEDRO COC(=O)c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(F)c1F ZINC001171282568 903582621 /nfs/dbraw/zinc/58/26/21/903582621.db2.gz SQWDOWYUVDWLTJ-UHFFFAOYSA-N 1 0 385.414 3.722 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000887740382 903708549 /nfs/dbraw/zinc/70/85/49/903708549.db2.gz YVSJEAWHYQCJKW-UHFFFAOYSA-N 1 0 378.423 3.642 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nc(C(F)(F)F)ccc3C#N)CC2)cc1 ZINC000265199403 903709699 /nfs/dbraw/zinc/70/96/99/903709699.db2.gz MNBFRXUKHXQUKH-UHFFFAOYSA-N 1 0 385.393 3.556 20 30 GHEDRO COc1ccc([C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)N(C)C)cc1OC ZINC000127803646 903785389 /nfs/dbraw/zinc/78/53/89/903785389.db2.gz OUWKZQNKVCKLNR-KQVJYAISSA-N 1 0 379.504 3.520 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136506581 903788300 /nfs/dbraw/zinc/78/83/00/903788300.db2.gz IMDKSSWHMBRHTM-OAHLLOKOSA-O 1 0 389.928 3.501 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@H]2CCOC2)c1 ZINC000136544392 903792229 /nfs/dbraw/zinc/79/22/29/903792229.db2.gz CBSQLCDDJXPMPS-LJQANCHMSA-O 1 0 397.564 3.773 20 30 GHEDRO O=C(c1ccc(CC[NH+]2CCCC2)nc1)N1CCC(C#Cc2ccccc2)CC1 ZINC001147967884 903922722 /nfs/dbraw/zinc/92/27/22/903922722.db2.gz DYCPHLDJLCKGFR-UHFFFAOYSA-N 1 0 387.527 3.624 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(OC)c2)c1 ZINC000772985175 903948387 /nfs/dbraw/zinc/94/83/87/903948387.db2.gz UESZATPTLAPQIN-APWZRJJASA-N 1 0 381.476 3.883 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccc(CC#N)cc1 ZINC000578622689 904011974 /nfs/dbraw/zinc/01/19/74/904011974.db2.gz ZTGDIBJKGXLFGE-MOJGAOKDSA-N 1 0 390.531 3.708 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccc(CC#N)cc1 ZINC000578622691 904013589 /nfs/dbraw/zinc/01/35/89/904013589.db2.gz ZTGDIBJKGXLFGE-RTBURBONSA-N 1 0 390.531 3.708 20 30 GHEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000579126240 904364716 /nfs/dbraw/zinc/36/47/16/904364716.db2.gz KWXXTVGRYFKCLB-BTYIYWSLSA-N 1 0 383.442 3.548 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000579359170 904540948 /nfs/dbraw/zinc/54/09/48/904540948.db2.gz GMEDJJQQUSSBAH-RBBKRZOGSA-N 1 0 390.487 3.953 20 30 GHEDRO CSc1nnc(CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)n1C1CCCC1 ZINC000104171521 904547428 /nfs/dbraw/zinc/54/74/28/904547428.db2.gz NOFAMNFULBZSBT-UHFFFAOYSA-N 1 0 398.580 3.963 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2coc(-c3ccc(C)cc3)n2)c1 ZINC000104190938 904551542 /nfs/dbraw/zinc/55/15/42/904551542.db2.gz JWUVJUGETZTGAB-UHFFFAOYSA-N 1 0 380.448 3.637 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC000826662731 904847274 /nfs/dbraw/zinc/84/72/74/904847274.db2.gz NQDNVHIMQDAHMW-HXUWFJFHSA-N 1 0 399.535 3.635 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1Cc1ccccc1 ZINC001171734650 905016710 /nfs/dbraw/zinc/01/67/10/905016710.db2.gz PNAJNWMDPBCAHZ-CJFMBICVSA-N 1 0 388.559 3.775 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC12CCC2 ZINC001171848282 905097250 /nfs/dbraw/zinc/09/72/50/905097250.db2.gz ODDAYCZOZYXQED-HZPDHXFCSA-N 1 0 378.538 3.583 20 30 GHEDRO CC(C)(C)OC(=O)C1CCC([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001171931139 905185272 /nfs/dbraw/zinc/18/52/72/905185272.db2.gz XPFGEKQDSWMGOI-UHFFFAOYSA-N 1 0 387.499 3.720 20 30 GHEDRO CCOC(=O)C1(C#N)CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985888 905243691 /nfs/dbraw/zinc/24/36/91/905243691.db2.gz CROXPIBXNXUAKS-FQEVSTJZSA-N 1 0 383.536 3.598 20 30 GHEDRO C=CCC[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000627004372 905365243 /nfs/dbraw/zinc/36/52/43/905365243.db2.gz LGMTXSNEZSYETN-INIZCTEOSA-N 1 0 385.430 3.520 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@@H+]([C@H](C)Cc4ccc(C#N)cc4)C3)CC2=O)cc1 ZINC001172304236 905457043 /nfs/dbraw/zinc/45/70/43/905457043.db2.gz LKAKOTSXGPYORF-KOSHJBKYSA-N 1 0 389.499 3.627 20 30 GHEDRO Cc1cccc(N([C@H](C)Cc2ccc(C#N)cc2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001172303418 905457060 /nfs/dbraw/zinc/45/70/60/905457060.db2.gz CVKOYUPNFFABCW-YGOYIFOWSA-N 1 0 375.516 3.825 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001172306693 905460814 /nfs/dbraw/zinc/46/08/14/905460814.db2.gz DLEOHTMKLCCESK-VEXUSMLFSA-N 1 0 398.547 3.556 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001172306260 905461384 /nfs/dbraw/zinc/46/13/84/905461384.db2.gz WBSIRRUEZFWOKQ-HYBUGGRVSA-N 1 0 375.516 3.861 20 30 GHEDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172307507 905462975 /nfs/dbraw/zinc/46/29/75/905462975.db2.gz HNMQUZDWQHRTPH-IPHXSNPTSA-N 1 0 394.544 3.520 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC001172308085 905465397 /nfs/dbraw/zinc/46/53/97/905465397.db2.gz LEWRZBOTRFSROR-CVDCTZTESA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001172310170 905467274 /nfs/dbraw/zinc/46/72/74/905467274.db2.gz WYTKWRQCPZLKFD-RKNIQEAPSA-N 1 0 398.547 3.554 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001172312562 905469154 /nfs/dbraw/zinc/46/91/54/905469154.db2.gz GZGREYHRHZYRDU-PBHICJAKSA-N 1 0 390.409 3.841 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172289496 905480525 /nfs/dbraw/zinc/48/05/25/905480525.db2.gz DECHMDLHPJFSHB-HCLVMJGWSA-N 1 0 399.535 3.637 20 30 GHEDRO COc1ccc(CN2CCC([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1F ZINC001172299627 905484499 /nfs/dbraw/zinc/48/44/99/905484499.db2.gz NBTDDKPUTDCFOA-KRWDZBQOSA-N 1 0 381.495 3.891 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC#N ZINC000175289242 905509168 /nfs/dbraw/zinc/50/91/68/905509168.db2.gz RCVCJRXVWBJOJV-HXUWFJFHSA-N 1 0 377.488 3.573 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001172354508 905523509 /nfs/dbraw/zinc/52/35/09/905523509.db2.gz IJPALYVCIQHTTI-IRLDBZIGSA-N 1 0 390.572 3.523 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCCn2cnc(COCC(=O)N(C)C)c2C1 ZINC001172354096 905525287 /nfs/dbraw/zinc/52/52/87/905525287.db2.gz FFPONNRYQYTPBK-IBGZPJMESA-N 1 0 392.588 3.833 20 30 GHEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001172356198 905526501 /nfs/dbraw/zinc/52/65/01/905526501.db2.gz VETQCFZKCQCOER-SFTDATJTSA-N 1 0 394.600 3.855 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]C[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001172479755 905556720 /nfs/dbraw/zinc/55/67/20/905556720.db2.gz KODPSTDLJFEAMG-ZWKOTPCHSA-N 1 0 379.545 3.855 20 30 GHEDRO CC(=O)CCN(CC[NH2+][C@H](C)CCCC#N)c1nc2cc(Cl)ccc2o1 ZINC001172485901 905559835 /nfs/dbraw/zinc/55/98/35/905559835.db2.gz VHZWKCVUAHSNFY-CQSZACIVSA-N 1 0 376.888 3.939 20 30 GHEDRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172496177 905598330 /nfs/dbraw/zinc/59/83/30/905598330.db2.gz KMARXGCBFDVFJZ-TZIWHRDSSA-N 1 0 383.536 3.566 20 30 GHEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001172506006 905602293 /nfs/dbraw/zinc/60/22/93/905602293.db2.gz ZAOYAHMRWYXZNX-TUNNFDKTSA-N 1 0 382.589 3.902 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000175864271 905687080 /nfs/dbraw/zinc/68/70/80/905687080.db2.gz LPGKQPPEELHMRN-DFXHWTJYSA-N 1 0 378.538 3.547 20 30 GHEDRO [NH2+]=C(N[C@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001172664815 905749564 /nfs/dbraw/zinc/74/95/64/905749564.db2.gz YPDFSKWFNFCPPV-KRWDZBQOSA-N 1 0 375.394 3.602 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCC[C@H](C(=O)OC)CC1)[C@@H]2CC ZINC001172785431 905826838 /nfs/dbraw/zinc/82/68/38/905826838.db2.gz IQGAIPUPGQKJQZ-VWNVYAMZSA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCC[C@@H](C(=O)OC)CC1)[C@H]2CC ZINC001172795065 905835216 /nfs/dbraw/zinc/83/52/16/905835216.db2.gz IQGAIPUPGQKJQZ-IWQHBPENSA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCC[C@H](C(=O)OC)CC1)[C@H]2CC ZINC001172795067 905835467 /nfs/dbraw/zinc/83/54/67/905835467.db2.gz IQGAIPUPGQKJQZ-OZIGNCPNSA-N 1 0 376.541 3.530 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000176499347 905856073 /nfs/dbraw/zinc/85/60/73/905856073.db2.gz XFYXGNOXHADFMY-OAQYLSRUSA-N 1 0 397.519 3.565 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172905991 905931591 /nfs/dbraw/zinc/93/15/91/905931591.db2.gz FMHCGXWUZRJVGC-NFBKMPQASA-N 1 0 397.519 3.875 20 30 GHEDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000190386284 906015126 /nfs/dbraw/zinc/01/51/26/906015126.db2.gz LMCRSQAILOSWHO-UHFFFAOYSA-N 1 0 389.908 3.501 20 30 GHEDRO Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172967473 906027719 /nfs/dbraw/zinc/02/77/19/906027719.db2.gz XTAKRHDWBZACGE-QRVBRYPASA-N 1 0 387.524 3.952 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2CCC(=O)NC)cc1OC ZINC000628275421 906037084 /nfs/dbraw/zinc/03/70/84/906037084.db2.gz MTIYKFDBZXOXPE-MRXNPFEDSA-N 1 0 380.916 3.794 20 30 GHEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976029 906040387 /nfs/dbraw/zinc/04/03/87/906040387.db2.gz KXQGSIYQKRKMLZ-ZIFCJYIRSA-N 1 0 384.524 3.887 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172978831 906046320 /nfs/dbraw/zinc/04/63/20/906046320.db2.gz ASWAGUVSBBYPKP-KURKYZTESA-N 1 0 385.508 3.776 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C[NH3+])c(C(F)(F)F)c2)C[C@H]1C#N ZINC001172981321 906047415 /nfs/dbraw/zinc/04/74/15/906047415.db2.gz LQEWGTZQTFAFHX-GJZGRUSLSA-N 1 0 398.429 3.868 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)C[C@H]1C#N ZINC001172981239 906048030 /nfs/dbraw/zinc/04/80/30/906048030.db2.gz URKFSOQMMKFNKG-XEZPLFJOSA-N 1 0 379.398 3.502 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2)C2(O)CCC2)C[C@H]1C#N ZINC001172981957 906048407 /nfs/dbraw/zinc/04/84/07/906048407.db2.gz QSHFOLKBQZZGBW-GBESFXJTSA-N 1 0 385.508 3.524 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(CC2)OCc2ccccc23)C[C@H]1C#N ZINC001172982884 906049054 /nfs/dbraw/zinc/04/90/54/906049054.db2.gz ASFHPSSJHYASLR-OALUTQOASA-N 1 0 397.519 3.800 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](N2CCCC[C@@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986548 906051104 /nfs/dbraw/zinc/05/11/04/906051104.db2.gz XKJWLOFTHORNRX-AABGKKOBSA-N 1 0 390.572 3.618 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)C[C@H]1C#N ZINC001172991922 906101165 /nfs/dbraw/zinc/10/11/65/906101165.db2.gz NUPKJMMBWDGAJZ-PCCBWWKXSA-N 1 0 399.535 3.959 20 30 GHEDRO C[C@@H]1CC[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CN1C(=O)OC(C)(C)C ZINC001173051853 906123906 /nfs/dbraw/zinc/12/39/06/906123906.db2.gz AFTMGQXKOVQRPX-QAPCUYQASA-N 1 0 382.508 3.975 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC3 ZINC000190614978 906175637 /nfs/dbraw/zinc/17/56/37/906175637.db2.gz CNCQTNPNQOVUEY-CYFREDJKSA-N 1 0 398.510 3.596 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000177866346 906232967 /nfs/dbraw/zinc/23/29/67/906232967.db2.gz HQTPNPNHPDLWIN-IBGZPJMESA-N 1 0 398.551 3.775 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(CC#N)c1 ZINC000178329717 906327827 /nfs/dbraw/zinc/32/78/27/906327827.db2.gz NLPAGSLYGMVXET-JOCHJYFZSA-N 1 0 399.498 3.957 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]([NH2+]C3CCC(CC#N)CC3)CO2)C1 ZINC001173330341 906375681 /nfs/dbraw/zinc/37/56/81/906375681.db2.gz QJLZLAUTADZSCU-PKZBPHAMSA-N 1 0 377.529 3.607 20 30 GHEDRO N#CCC1CCC([N@@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)CC1 ZINC001173335027 906378000 /nfs/dbraw/zinc/37/80/00/906378000.db2.gz CUNGQOZNRNRTNP-FBPXKMNZSA-N 1 0 399.510 3.965 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)CC1 ZINC001173320241 906391078 /nfs/dbraw/zinc/39/10/78/906391078.db2.gz JLBDDQIMSVQJRX-FDTLVRFQSA-N 1 0 386.536 3.734 20 30 GHEDRO C#CC1CC[NH+]([C@@H]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173392218 906419837 /nfs/dbraw/zinc/41/98/37/906419837.db2.gz OSRDQACGGXWOFJ-GUDVDZBRSA-N 1 0 391.552 3.800 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC001173422643 906458451 /nfs/dbraw/zinc/45/84/51/906458451.db2.gz UAKIQRWFZCFCEA-UHFFFAOYSA-N 1 0 390.531 3.946 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3COc4cc(Cl)ccc43)CC2)cc1 ZINC001173426670 906463527 /nfs/dbraw/zinc/46/35/27/906463527.db2.gz DSHDRBBYWIOFBU-IBGZPJMESA-N 1 0 381.863 3.540 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCOc4c(F)cc(F)cc43)CC2)cc1 ZINC001173429837 906466642 /nfs/dbraw/zinc/46/66/42/906466642.db2.gz XJZPFNITPFVYML-FQEVSTJZSA-N 1 0 397.425 3.554 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)CC1 ZINC001173595411 906548879 /nfs/dbraw/zinc/54/88/79/906548879.db2.gz XZXLTGBLOUROPQ-MPRHMJKFSA-N 1 0 376.541 3.524 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)CC1 ZINC001173595906 906550988 /nfs/dbraw/zinc/55/09/88/906550988.db2.gz BIPOKOSBRRZSKT-UDJZJCJKSA-N 1 0 386.515 3.612 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C#N)c1C ZINC000179778621 906595005 /nfs/dbraw/zinc/59/50/05/906595005.db2.gz BPASXJYBUWWJHG-KBPBESRZSA-N 1 0 394.475 3.794 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001173729079 906695064 /nfs/dbraw/zinc/69/50/64/906695064.db2.gz HZRHGUVVGDBFND-UTKZUKDTSA-N 1 0 378.472 3.819 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(OCC#N)cc1 ZINC000180541454 906791053 /nfs/dbraw/zinc/79/10/53/906791053.db2.gz QAFHZQPUMKNHKT-ZIAGYGMSSA-N 1 0 376.453 3.543 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1Cl ZINC000180875758 906868422 /nfs/dbraw/zinc/86/84/22/906868422.db2.gz QLRZKYCWFWAOQC-PCWSXBEYSA-N 1 0 388.682 3.824 20 30 GHEDRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180875224 906868484 /nfs/dbraw/zinc/86/84/84/906868484.db2.gz YSQLDLYFOUEVIO-ZBKJMMEJSA-N 1 0 397.519 3.622 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OCC#N)cc1 ZINC000181562555 907026659 /nfs/dbraw/zinc/02/66/59/907026659.db2.gz UDQGUOXCLOJAPB-MRXNPFEDSA-N 1 0 383.467 3.540 20 30 GHEDRO COc1ccccc1O[C@@H](C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181831568 907088872 /nfs/dbraw/zinc/08/88/72/907088872.db2.gz YZXSLGUUNCOYAP-SFHVURJKSA-N 1 0 379.504 3.588 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC000182155533 907147700 /nfs/dbraw/zinc/14/77/00/907147700.db2.gz DRNDMQPIVWONHD-XZOQPEGZSA-N 1 0 397.469 3.921 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559522 907228575 /nfs/dbraw/zinc/22/85/75/907228575.db2.gz XFRIXFIKVTXHOE-SBUREZEXSA-N 1 0 392.503 3.644 20 30 GHEDRO CN(C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1(C#N)CCCCC1 ZINC000192102941 907408462 /nfs/dbraw/zinc/40/84/62/907408462.db2.gz FYGJUMXYJWNVHC-HKUYNNGSSA-N 1 0 393.890 3.584 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192109913 907422173 /nfs/dbraw/zinc/42/21/73/907422173.db2.gz QRDSCLPSLPWXCP-XLIONFOSSA-N 1 0 390.842 3.858 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1ccc(I)cc1 ZINC001175532426 907607307 /nfs/dbraw/zinc/60/73/07/907607307.db2.gz OHTVXZZSZDBUML-UHFFFAOYSA-N 1 0 376.241 3.837 20 30 GHEDRO CCOC(=O)c1sc(C2CC[NH+](CCOc3ccccc3C#N)CC2)nc1C ZINC001175630721 907650031 /nfs/dbraw/zinc/65/00/31/907650031.db2.gz HJCVIYZOOBZEGI-UHFFFAOYSA-N 1 0 399.516 3.758 20 30 GHEDRO C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000186746470 907979198 /nfs/dbraw/zinc/97/91/98/907979198.db2.gz ZMKCZDFIOOYJPE-AWEZNQCLSA-N 1 0 379.382 3.818 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C)s1)[n+]1cccc(CO)c1 ZINC000186970187 908013050 /nfs/dbraw/zinc/01/30/50/908013050.db2.gz VYJBSMJZOVFWKR-UHFFFAOYSA-O 1 0 377.555 3.553 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc(OC)c1O ZINC000801733382 921434223 /nfs/dbraw/zinc/43/42/23/921434223.db2.gz FDIWIXQABYJCSZ-QGZVFWFLSA-N 1 0 392.293 3.715 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC001177951027 908834877 /nfs/dbraw/zinc/83/48/77/908834877.db2.gz YWGBEVDBRMRCHW-NRFANRHFSA-N 1 0 379.895 3.853 20 30 GHEDRO Cc1ccc(C2(C(=O)N(Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)CC2)nc1 ZINC001178145829 908907965 /nfs/dbraw/zinc/90/79/65/908907965.db2.gz YEQFLPFXYPFRSZ-MEMLXQNLSA-N 1 0 388.515 3.592 20 30 GHEDRO C=CCC1(O)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC001178198163 908935987 /nfs/dbraw/zinc/93/59/87/908935987.db2.gz AMTOZCQFYABRCC-FGZHOGPDSA-N 1 0 384.564 3.710 20 30 GHEDRO O=C(C#Cc1ccc(F)cc1F)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001178568702 909126532 /nfs/dbraw/zinc/12/65/32/909126532.db2.gz JVURORKQDCPYNV-QFIPXVFZSA-N 1 0 394.465 3.972 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C#Cc2ccc(F)cc2F)CC1 ZINC001178569278 909126924 /nfs/dbraw/zinc/12/69/24/909126924.db2.gz VLXSLOVLXQEENL-UHFFFAOYSA-N 1 0 386.417 3.578 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)ccc1C#N ZINC001178648338 909167920 /nfs/dbraw/zinc/16/79/20/909167920.db2.gz ZTSBGIFROFRGMJ-CQSZACIVSA-N 1 0 387.402 3.502 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC000245557364 909739508 /nfs/dbraw/zinc/73/95/08/909739508.db2.gz JWPJSQJKVIGTIS-NQIIRXRSSA-N 1 0 377.488 3.762 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@H+](C)CC(C)(C)CN2CCOCC2)cc1OC ZINC001180081605 909934935 /nfs/dbraw/zinc/93/49/35/909934935.db2.gz LXXSQHSCLBTDLT-UHFFFAOYSA-N 1 0 396.959 3.704 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000795330673 909936656 /nfs/dbraw/zinc/93/66/56/909936656.db2.gz AZPAIMCFNZLZLA-IFMALSPDSA-N 1 0 382.454 3.680 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000795330678 909937149 /nfs/dbraw/zinc/93/71/49/909937149.db2.gz AZPAIMCFNZLZLA-UNMCSNQZSA-N 1 0 382.454 3.680 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000245928991 910006442 /nfs/dbraw/zinc/00/64/42/910006442.db2.gz SAFQXCUXWSVGQN-YGOYIFOWSA-N 1 0 393.531 3.919 20 30 GHEDRO C=CCSCC(=O)N1CC2(CC[NH2+]CC2)c2c1cccc2-c1cccnc1 ZINC001180559262 910237068 /nfs/dbraw/zinc/23/70/68/910237068.db2.gz MMODIGFAEOGOOR-UHFFFAOYSA-N 1 0 379.529 3.636 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000270405863 910552362 /nfs/dbraw/zinc/55/23/62/910552362.db2.gz XRRDZBXBMHFOFG-UHFFFAOYSA-N 1 0 378.476 3.676 20 30 GHEDRO N#Cc1cccc(NC(=O)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001202783138 910707885 /nfs/dbraw/zinc/70/78/85/910707885.db2.gz IFZVIYWEIZRUQD-JOCHJYFZSA-N 1 0 378.451 3.970 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2c(ccnc2N(C)C)c1 ZINC000640175355 910885739 /nfs/dbraw/zinc/88/57/39/910885739.db2.gz AOBCAUJYWUWDAI-UHFFFAOYSA-N 1 0 394.475 3.996 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271696183 911017562 /nfs/dbraw/zinc/01/75/62/911017562.db2.gz SKLPYMJXEYNGBQ-INIZCTEOSA-N 1 0 387.487 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)cs2)CC2(CCOCC2)C1 ZINC000720239600 911102479 /nfs/dbraw/zinc/10/24/79/911102479.db2.gz VURKHZKMVSPTCQ-MRXNPFEDSA-N 1 0 391.537 3.516 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000092784303 911805587 /nfs/dbraw/zinc/80/55/87/911805587.db2.gz JWPJSQJKVIGTIS-GHTZIAJQSA-N 1 0 377.488 3.762 20 30 GHEDRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001182480945 911832254 /nfs/dbraw/zinc/83/22/54/911832254.db2.gz WMVJXZYYMXGRGB-UHFFFAOYSA-N 1 0 386.293 3.974 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(N(C)C)cc2)c1 ZINC000284371470 911842895 /nfs/dbraw/zinc/84/28/95/911842895.db2.gz LOEAGRLDWCWZTA-UHFFFAOYSA-O 1 0 382.553 3.738 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC2(C)CC2)cc1 ZINC000284404336 911853866 /nfs/dbraw/zinc/85/38/66/911853866.db2.gz NFEPKCFTYLGUOX-UHFFFAOYSA-O 1 0 375.464 3.896 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=S)NC1(C)CC1 ZINC000284582440 911935847 /nfs/dbraw/zinc/93/58/47/911935847.db2.gz XMLBKMZLAYYGPB-UHFFFAOYSA-O 1 0 398.508 3.834 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)C1CCOCC1 ZINC001182988641 912174928 /nfs/dbraw/zinc/17/49/28/912174928.db2.gz BUESFTWJKWVKQX-LJQANCHMSA-N 1 0 381.426 3.798 20 30 GHEDRO C[NH+]1CCN(c2ccccc2C(=O)Nc2ccccc2-c2ccc(C#N)cn2)CC1 ZINC001186906519 914893995 /nfs/dbraw/zinc/89/39/95/914893995.db2.gz HPGKTVGPZLWORC-UHFFFAOYSA-N 1 0 397.482 3.624 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000303721207 915088176 /nfs/dbraw/zinc/08/81/76/915088176.db2.gz XIEQRACWDPEECL-INIZCTEOSA-N 1 0 376.888 3.895 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303769466 915113692 /nfs/dbraw/zinc/11/36/92/915113692.db2.gz BKODDLWCAIRMCT-DENIHFKCSA-N 1 0 393.531 3.931 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCc1cn2ccccc2n1)c1ccc(Cl)cc1Cl ZINC000303778932 915124412 /nfs/dbraw/zinc/12/44/12/915124412.db2.gz KDBSIEOGKPBDFS-LBPRGKRZSA-N 1 0 376.291 3.849 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCC2(c3ccc(F)cc3)CCCC2)cc1OC ZINC000303870702 915229170 /nfs/dbraw/zinc/22/91/70/915229170.db2.gz FKOXDVGNJIDNEA-UHFFFAOYSA-N 1 0 385.483 3.759 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000303878292 915236563 /nfs/dbraw/zinc/23/65/63/915236563.db2.gz FXDJGHIROXLSFH-CALCHBBNSA-N 1 0 395.551 3.747 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCNc2ncc(Cl)cc2Cl)cc1Cl ZINC000303882559 915294915 /nfs/dbraw/zinc/29/49/15/915294915.db2.gz IFCYSMFIDQUPGU-UHFFFAOYSA-N 1 0 388.686 3.889 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 ZINC000303880466 915295013 /nfs/dbraw/zinc/29/50/13/915295013.db2.gz HEVRNVAURFAHLJ-IAGOWNOFSA-N 1 0 381.524 3.745 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1C ZINC000303981695 915346877 /nfs/dbraw/zinc/34/68/77/915346877.db2.gz PHWUEWFFAKZIDQ-HXUWFJFHSA-N 1 0 386.927 3.757 20 30 GHEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)C2)c1 ZINC000303982246 915348727 /nfs/dbraw/zinc/34/87/27/915348727.db2.gz PZYIHOBINBPYBE-KRWDZBQOSA-N 1 0 382.508 3.736 20 30 GHEDRO [NH2+]=C(NCc1cc(F)cc(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000304495324 915525162 /nfs/dbraw/zinc/52/51/62/915525162.db2.gz NJZLPLJCAHLGCH-OAHLLOKOSA-N 1 0 378.245 3.516 20 30 GHEDRO [NH2+]=C(NCc1cccc(OCC(F)(F)F)c1)N[C@H]1CCOc2ccccc21 ZINC000304512365 915526369 /nfs/dbraw/zinc/52/63/69/915526369.db2.gz XIVIMWBDNGTSIT-INIZCTEOSA-N 1 0 379.382 3.556 20 30 GHEDRO COc1ccc([C@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000304508908 915526590 /nfs/dbraw/zinc/52/65/90/915526590.db2.gz SAZHMGNWEWNPJO-OAQYLSRUSA-N 1 0 377.444 3.948 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC2CCC2)[n+]2ccc(N(C)C)cc2)c1 ZINC000292272698 915593540 /nfs/dbraw/zinc/59/35/40/915593540.db2.gz HBEBWNZTENNLKO-UHFFFAOYSA-O 1 0 382.553 3.738 20 30 GHEDRO [NH2+]=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccc2c1CCCC2 ZINC000304688565 915632031 /nfs/dbraw/zinc/63/20/31/915632031.db2.gz QSNUJDMREAPYAE-QFIPXVFZSA-N 1 0 396.510 3.505 20 30 GHEDRO COc1ccc(O[C@H](C)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000304756065 915672527 /nfs/dbraw/zinc/67/25/27/915672527.db2.gz NJKWAAWAVIZRCL-GFCCVEGCSA-N 1 0 383.370 3.788 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1 ZINC000304756236 915672649 /nfs/dbraw/zinc/67/26/49/915672649.db2.gz NMSZEEFYTJFPNR-UHFFFAOYSA-N 1 0 378.520 3.861 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCC[S@](=O)Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000304762050 915700415 /nfs/dbraw/zinc/70/04/15/915700415.db2.gz VFARVPOHWPHZFU-SHZVTRLKSA-N 1 0 398.359 3.908 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1ccc([S@@](C)=O)cc1)c1ccc(Cl)cc1Cl ZINC000304797716 915702337 /nfs/dbraw/zinc/70/23/37/915702337.db2.gz WYAJFXUNDGSZIT-YDGUKXNOSA-N 1 0 384.332 3.896 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1ccc([S@](C)=O)cc1)c1ccc(Cl)cc1Cl ZINC000304797715 915702541 /nfs/dbraw/zinc/70/25/41/915702541.db2.gz WYAJFXUNDGSZIT-JNDILOIQSA-N 1 0 384.332 3.896 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCc1cncn1Cc1cccc(OC)c1 ZINC001188030024 915721758 /nfs/dbraw/zinc/72/17/58/915721758.db2.gz DYPCCRSNAZQOMT-UHFFFAOYSA-N 1 0 393.553 3.720 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)C1 ZINC000292614097 915766494 /nfs/dbraw/zinc/76/64/94/915766494.db2.gz MHFSVRKJOIXEDA-QFIPXVFZSA-N 1 0 376.460 3.910 20 30 GHEDRO COCCN(C(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1)C1CC[NH+](C)CC1 ZINC001188701773 916122361 /nfs/dbraw/zinc/12/23/61/916122361.db2.gz OYHKSUJAZLKNJJ-UHFFFAOYSA-N 1 0 395.478 3.547 20 30 GHEDRO N#Cc1ccc(-c2ccc(C(=O)N3Cc4ccccc4C[C@H]3C[NH3+])cc2)cc1F ZINC001188711382 916141905 /nfs/dbraw/zinc/14/19/05/916141905.db2.gz GLEGLECCLKYMCF-QFIPXVFZSA-N 1 0 385.442 3.890 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCOCc2ccc(Cl)cc2Cl)c1 ZINC000305784768 916379953 /nfs/dbraw/zinc/37/99/53/916379953.db2.gz RFWWCXKUFWGQMX-UHFFFAOYSA-N 1 0 398.290 3.954 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001189084054 916395437 /nfs/dbraw/zinc/39/54/37/916395437.db2.gz FAPYKVXXSRBBOR-LEWJYISDSA-N 1 0 389.499 3.551 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@]1(C#N)CC13CCCC3)c1ccccc1O2 ZINC000294624071 916897235 /nfs/dbraw/zinc/89/72/35/916897235.db2.gz WRNHGVYRUVBPBL-MBSDFSHPSA-N 1 0 379.504 3.565 20 30 GHEDRO N#Cc1c(Cl)c(F)cc(C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])c1Cl ZINC001189860399 916962876 /nfs/dbraw/zinc/96/28/76/916962876.db2.gz GDWACGRFHRHIPU-LBPRGKRZSA-N 1 0 378.234 3.530 20 30 GHEDRO N#Cc1c(Cl)c(F)cc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC001189855724 916982941 /nfs/dbraw/zinc/98/29/41/916982941.db2.gz QLRMLSSEUHKIGN-UHFFFAOYSA-N 1 0 393.249 3.798 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1nc2ccc(OCC)cc2s1)c1ccccc1 ZINC000775400409 917434051 /nfs/dbraw/zinc/43/40/51/917434051.db2.gz OTBJSYKIQHOFNO-QGZVFWFLSA-N 1 0 379.485 3.988 20 30 GHEDRO COc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000362874556 917480897 /nfs/dbraw/zinc/48/08/97/917480897.db2.gz HLPVCANDHRQJRF-UHFFFAOYSA-N 1 0 385.851 3.746 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000775404607 917515887 /nfs/dbraw/zinc/51/58/87/917515887.db2.gz PULWYJQAWXYKDK-FGZHOGPDSA-N 1 0 392.499 3.722 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1F ZINC000796464229 917545676 /nfs/dbraw/zinc/54/56/76/917545676.db2.gz CSOIISMFAUDIQK-IBGZPJMESA-N 1 0 381.451 3.836 20 30 GHEDRO CCCCCCCOc1cccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000796516929 917956866 /nfs/dbraw/zinc/95/68/66/917956866.db2.gz YYTAWPVKCPZLEE-UHFFFAOYSA-N 1 0 387.524 3.646 20 30 GHEDRO CCCCCCCOc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000796516390 917958410 /nfs/dbraw/zinc/95/84/10/917958410.db2.gz SLQJLHVKHAFDQD-UHFFFAOYSA-N 1 0 387.524 3.646 20 30 GHEDRO C=CCNc1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC001149056791 917990156 /nfs/dbraw/zinc/99/01/56/917990156.db2.gz KKRSPQGDFSHUAT-GOSISDBHSA-N 1 0 396.560 3.773 20 30 GHEDRO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]3CCCC[C@@H]32)nn1 ZINC000653577647 918325299 /nfs/dbraw/zinc/32/52/99/918325299.db2.gz XIWRCVVVRGTUHB-XPSJOHQASA-N 1 0 387.572 3.538 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)C2CCC(F)(F)CC2)c(OC)c1 ZINC000653868024 918561321 /nfs/dbraw/zinc/56/13/21/918561321.db2.gz MRUNAVIOMWQJHP-CRAIPNDOSA-N 1 0 383.479 3.967 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001202797971 919584807 /nfs/dbraw/zinc/58/48/07/919584807.db2.gz DHJRKQHWUSKIMU-IBGZPJMESA-N 1 0 386.883 3.653 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000298128690 920236042 /nfs/dbraw/zinc/23/60/42/920236042.db2.gz KTFRSXMZXDADPE-LBPRGKRZSA-N 1 0 384.461 3.696 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)c(Br)c1)CC2 ZINC001275964420 920316239 /nfs/dbraw/zinc/31/62/39/920316239.db2.gz GHCGTKXOQHOGQJ-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000801426318 921020805 /nfs/dbraw/zinc/02/08/05/921020805.db2.gz ZEUMIKWWNNDSRM-UHFFFAOYSA-N 1 0 390.443 3.807 20 30 GHEDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000802135022 921850984 /nfs/dbraw/zinc/85/09/84/921850984.db2.gz LYJBAZJULBFAKL-QFIPXVFZSA-N 1 0 394.471 3.811 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000902737279 922449062 /nfs/dbraw/zinc/44/90/62/922449062.db2.gz UEIKAZYHHKFASH-QFIPXVFZSA-N 1 0 376.504 3.702 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(C#N)ccc3Cl)c2)CC1 ZINC000802963913 922566148 /nfs/dbraw/zinc/56/61/48/922566148.db2.gz PERCOICHKOEGPL-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO C#CCN(C(=O)Nc1ccc(Br)cc1Cl)C1CC[NH+](C)CC1 ZINC000902984799 922682775 /nfs/dbraw/zinc/68/27/75/922682775.db2.gz ADMJBZDABZRLHH-UHFFFAOYSA-N 1 0 384.705 3.664 20 30 GHEDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903011376 922708321 /nfs/dbraw/zinc/70/83/21/922708321.db2.gz DORSEPKTWINPLF-ZBFHGGJFSA-N 1 0 388.309 3.526 20 30 GHEDRO C#CCCN(CC(F)(F)F)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000803113671 922708544 /nfs/dbraw/zinc/70/85/44/922708544.db2.gz RKTCVEAIGKLLQQ-MRXNPFEDSA-N 1 0 388.380 3.558 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000368519442 922725248 /nfs/dbraw/zinc/72/52/48/922725248.db2.gz QDWKKKPIRBTTGM-OAQYLSRUSA-N 1 0 384.524 3.586 20 30 GHEDRO C=CC[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccncc1 ZINC000903098518 922771100 /nfs/dbraw/zinc/77/11/00/922771100.db2.gz PWGLETPYZLSBMF-OTWHNJEPSA-N 1 0 387.524 3.751 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)CC2)nc1 ZINC000368944283 922994993 /nfs/dbraw/zinc/99/49/93/922994993.db2.gz XUUNKCMJJHUEJK-UHFFFAOYSA-N 1 0 398.894 3.527 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000903442571 923031141 /nfs/dbraw/zinc/03/11/41/923031141.db2.gz RJBBVPWFCYFPOV-PWIZWCRZSA-N 1 0 399.535 3.554 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000369608466 923479644 /nfs/dbraw/zinc/47/96/44/923479644.db2.gz FZAZWUSDVVTZSF-UHFFFAOYSA-N 1 0 380.414 3.794 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000369943801 923759436 /nfs/dbraw/zinc/75/94/36/923759436.db2.gz SWWFGNWMPPOJMJ-UHFFFAOYSA-N 1 0 378.476 3.928 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000749128143 924038241 /nfs/dbraw/zinc/03/82/41/924038241.db2.gz FJXNCTFTRBPXAF-ZFJSRUIDSA-N 1 0 393.531 3.919 20 30 GHEDRO N#CC1(NC(=O)c2ccccc2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000371533223 924640704 /nfs/dbraw/zinc/64/07/04/924640704.db2.gz FHTPNSWYFAFXGR-UHFFFAOYSA-N 1 0 387.405 3.994 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)c1ccccc1 ZINC000678785379 924921607 /nfs/dbraw/zinc/92/16/07/924921607.db2.gz BAXGIWSLTPZLSH-MRXNPFEDSA-N 1 0 380.448 3.781 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679341007 925101313 /nfs/dbraw/zinc/10/13/13/925101313.db2.gz IRMYGJOUQBZVLV-RTBURBONSA-N 1 0 379.342 3.909 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)c(OCC=C)c(OC)c1)C1CCOCC1 ZINC000827574951 925823821 /nfs/dbraw/zinc/82/38/21/925823821.db2.gz KDFFRVKWFYDBQL-KRWDZBQOSA-N 1 0 394.309 3.541 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373479945 926175659 /nfs/dbraw/zinc/17/56/59/926175659.db2.gz AHOARILVBRGEER-UHFFFAOYSA-N 1 0 380.454 3.984 20 30 GHEDRO CCC[N@H+](C[C@H]1CCCCO1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411368265 926339747 /nfs/dbraw/zinc/33/97/47/926339747.db2.gz NLFUUHMZDCNAPY-FXAWDEMLSA-N 1 0 375.488 3.742 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)ccc(OC)c3Cl)CC2)C1=O ZINC001276381255 926364426 /nfs/dbraw/zinc/36/44/26/926364426.db2.gz GNENIPWVOBGJOG-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO C[C@H]1COC[C@H](c2ccccc2)N1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411415638 926369164 /nfs/dbraw/zinc/36/91/64/926369164.db2.gz BRYANJALCUZIGV-HNAYVOBHSA-N 1 0 395.528 3.899 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(F)cc1 ZINC000411479139 926444695 /nfs/dbraw/zinc/44/46/95/926444695.db2.gz VLHGYGLVBYNCRU-KRWDZBQOSA-N 1 0 387.480 3.553 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2([NH+]3CCOCC3)CCCCC2)cc1Cl ZINC000726444193 926666977 /nfs/dbraw/zinc/66/69/77/926666977.db2.gz HLOBNSKCJNBIET-UHFFFAOYSA-N 1 0 392.956 3.533 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412008259 927007129 /nfs/dbraw/zinc/00/71/29/927007129.db2.gz KWHAOYGNXNUUKW-LJQANCHMSA-N 1 0 383.517 3.832 20 30 GHEDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCC1 ZINC000412027743 927030960 /nfs/dbraw/zinc/03/09/60/927030960.db2.gz WFTXSCFUBHMZBR-MRXNPFEDSA-N 1 0 398.482 3.591 20 30 GHEDRO COC1([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCC1 ZINC000412027742 927031441 /nfs/dbraw/zinc/03/14/41/927031441.db2.gz WFTXSCFUBHMZBR-INIZCTEOSA-N 1 0 398.482 3.591 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000374492553 927203587 /nfs/dbraw/zinc/20/35/87/927203587.db2.gz PCYZCGCTQILEGE-IBGZPJMESA-N 1 0 397.567 3.549 20 30 GHEDRO CC(C)(C)c1csc(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000750060709 927412262 /nfs/dbraw/zinc/41/22/62/927412262.db2.gz HGYVANXWDYZGSU-GOSISDBHSA-N 1 0 399.560 3.932 20 30 GHEDRO COc1cc(Cl)c(F)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000413259243 928373368 /nfs/dbraw/zinc/37/33/68/928373368.db2.gz FWUDEVPHRPGXPG-UHFFFAOYSA-N 1 0 389.858 3.563 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000467025134 928605559 /nfs/dbraw/zinc/60/55/59/928605559.db2.gz RJRKFVLXGNGCDP-PXNSSMCTSA-N 1 0 380.488 3.653 20 30 GHEDRO CCc1ccc(C(C)=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000752157858 928646240 /nfs/dbraw/zinc/64/62/40/928646240.db2.gz DQYNRUXMOIYJPB-UHFFFAOYSA-N 1 0 384.549 3.695 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000467271439 928899338 /nfs/dbraw/zinc/89/93/38/928899338.db2.gz NWADZCCLXUAVFC-IBGZPJMESA-N 1 0 394.519 3.653 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](CCCc1cccc(Br)c1)CC2 ZINC001276273305 929097234 /nfs/dbraw/zinc/09/72/34/929097234.db2.gz JEYAPXIVVVTJCR-GOSISDBHSA-N 1 0 391.353 3.786 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+]2CCCc2ccccc2Br)C1=O ZINC001276279785 929246088 /nfs/dbraw/zinc/24/60/88/929246088.db2.gz BFWILVUIBOSARQ-LJQANCHMSA-N 1 0 377.326 3.635 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000467665838 929284094 /nfs/dbraw/zinc/28/40/94/929284094.db2.gz CZAOKYXWKZISQW-UHFFFAOYSA-N 1 0 377.488 3.695 20 30 GHEDRO CON=Cc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000753717790 929497474 /nfs/dbraw/zinc/49/74/74/929497474.db2.gz URPFEDFHBZCIBH-NQIIRXRSSA-N 1 0 379.504 3.697 20 30 GHEDRO CCOc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)ccc1OCc1ccccc1 ZINC000753935670 929599665 /nfs/dbraw/zinc/59/96/65/929599665.db2.gz PFEWWUXDAYYFTP-BGYRXZFFSA-N 1 0 392.503 3.858 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000753940163 929603364 /nfs/dbraw/zinc/60/33/64/929603364.db2.gz MXOTWHWOEBNFAM-FCHUYYIVSA-N 1 0 394.519 3.820 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757105528 929643314 /nfs/dbraw/zinc/64/33/14/929643314.db2.gz YCUFAOWJVDLJLH-QFBILLFUSA-N 1 0 382.508 3.936 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000469202901 929684538 /nfs/dbraw/zinc/68/45/38/929684538.db2.gz NAAXSOOWZVBYTO-IAGOWNOFSA-N 1 0 387.936 3.967 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000757481853 929715542 /nfs/dbraw/zinc/71/55/42/929715542.db2.gz HPKNIKBXPGDOME-LJQANCHMSA-N 1 0 392.499 3.854 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1OCc1ccccc1 ZINC000469332706 929795404 /nfs/dbraw/zinc/79/54/04/929795404.db2.gz KQKBLMXAWILDCO-MSOLQXFVSA-N 1 0 377.488 3.867 20 30 GHEDRO COc1ccc([C@H]2[C@H](COC(=O)c3ccccc3OCC#N)CCC[N@@H+]2C)cc1 ZINC000757901632 929848377 /nfs/dbraw/zinc/84/83/77/929848377.db2.gz KPXRVABQWCBQMO-AVRDEDQJSA-N 1 0 394.471 3.837 20 30 GHEDRO Brc1cncc(N=NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000758121966 929932243 /nfs/dbraw/zinc/93/22/43/929932243.db2.gz BQJFDODYQMRZOM-UHFFFAOYSA-N 1 0 381.318 3.525 20 30 GHEDRO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000469601401 930018943 /nfs/dbraw/zinc/01/89/43/930018943.db2.gz VBVFGNCDTPSZLX-HZPDHXFCSA-N 1 0 389.927 3.554 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)cc1 ZINC000758496992 930061793 /nfs/dbraw/zinc/06/17/93/930061793.db2.gz WVWYSLJRIPBKMW-RXVVDRJESA-N 1 0 381.545 3.685 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000469880379 930232336 /nfs/dbraw/zinc/23/23/36/930232336.db2.gz IZLJCUOHXDDFSJ-UXLLHSPISA-N 1 0 395.341 3.582 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c(OC)c1 ZINC000469992240 930300038 /nfs/dbraw/zinc/30/00/38/930300038.db2.gz LSFIUBVRBGHFSP-QAPCUYQASA-N 1 0 387.442 3.826 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000759441676 930369369 /nfs/dbraw/zinc/36/93/69/930369369.db2.gz GIAJGRNDMJBCIM-VQTJNVASSA-N 1 0 381.476 3.848 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000470225504 930466682 /nfs/dbraw/zinc/46/66/82/930466682.db2.gz AXTQKHACNFMDGT-SFHVURJKSA-N 1 0 393.487 3.534 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000780742939 930589328 /nfs/dbraw/zinc/58/93/28/930589328.db2.gz OLMHZSMNWVMKTP-JXFKEZNVSA-N 1 0 390.462 3.762 20 30 GHEDRO c1ccc(C[N@@H+]2C[C@@H]3CCCC(N=Nc4nc(-c5ccncc5)no4)[C@H]3C2)cc1 ZINC000781123110 930708063 /nfs/dbraw/zinc/70/80/63/930708063.db2.gz WHPQXODUPYSSRN-OALUTQOASA-N 1 0 388.475 3.832 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000782512742 931248444 /nfs/dbraw/zinc/24/84/44/931248444.db2.gz UPDHHLIJTAYDDR-MOPGFXCFSA-N 1 0 385.508 3.801 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000782545632 931264425 /nfs/dbraw/zinc/26/44/25/931264425.db2.gz RWWMHWSKWXHCLO-UHFFFAOYSA-N 1 0 375.472 3.835 20 30 GHEDRO C#Cc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)c1 ZINC000783002671 931383394 /nfs/dbraw/zinc/38/33/94/931383394.db2.gz CQQZOHCFHSOZFS-UHFFFAOYSA-N 1 0 389.499 3.520 20 30 GHEDRO N#Cc1c(NC2CC[NH+](CCc3ccccc3)CC2)nc2cc(Cl)ccn12 ZINC000557492618 931469654 /nfs/dbraw/zinc/46/96/54/931469654.db2.gz FRLQUZIOHWLQTJ-UHFFFAOYSA-N 1 0 379.895 3.978 20 30 GHEDRO C=CC[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ccncc1 ZINC000783245487 931473491 /nfs/dbraw/zinc/47/34/91/931473491.db2.gz NNGONTPDMLGWBG-NGICGMGXSA-N 1 0 375.472 3.896 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000557517121 931513695 /nfs/dbraw/zinc/51/36/95/931513695.db2.gz DWFMLOOKJJSIHR-KSFYIVLOSA-N 1 0 395.528 3.826 20 30 GHEDRO CCOCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000783448875 931549352 /nfs/dbraw/zinc/54/93/52/931549352.db2.gz WFMCZWBQNYNBTI-UHFFFAOYSA-N 1 0 393.487 3.782 20 30 GHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H](C)C1 ZINC000558023704 931805884 /nfs/dbraw/zinc/80/58/84/931805884.db2.gz DUQSZQNKLLKBQA-CSODHUTKSA-N 1 0 393.487 3.533 20 30 GHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H](C)C1 ZINC000558023712 931805954 /nfs/dbraw/zinc/80/59/54/931805954.db2.gz DUQSZQNKLLKBQA-FIKGOQFSSA-N 1 0 393.487 3.533 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)nc1 ZINC000558165591 931868094 /nfs/dbraw/zinc/86/80/94/931868094.db2.gz RUNCOASMTJACHD-LJQANCHMSA-N 1 0 389.908 3.511 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000784488191 931911820 /nfs/dbraw/zinc/91/18/20/931911820.db2.gz VLLSRTJGQVJNSR-SFHVURJKSA-N 1 0 387.405 3.683 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000558379197 931968664 /nfs/dbraw/zinc/96/86/64/931968664.db2.gz DKMYAOYCEARSEN-FQEVSTJZSA-N 1 0 383.492 3.871 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)cc1 ZINC000784733500 931991210 /nfs/dbraw/zinc/99/12/10/931991210.db2.gz TYBSIGQSDHWNIC-UHFFFAOYSA-N 1 0 380.488 3.633 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000796676781 932026576 /nfs/dbraw/zinc/02/65/76/932026576.db2.gz CDZFRLUUHVTPLV-KRWDZBQOSA-N 1 0 396.516 3.519 20 30 GHEDRO CC(C)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000796770937 932060815 /nfs/dbraw/zinc/06/08/15/932060815.db2.gz GHIATDKBVLEMRH-FQEVSTJZSA-N 1 0 386.540 3.666 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000926185701 932076727 /nfs/dbraw/zinc/07/67/27/932076727.db2.gz ZYVTUYNPRMKPDR-NZSAHSFTSA-N 1 0 391.556 3.853 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000558630659 932124830 /nfs/dbraw/zinc/12/48/30/932124830.db2.gz STQCEWDUFHZICH-CTNGQTDRSA-N 1 0 383.536 3.878 20 30 GHEDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000926604152 932243717 /nfs/dbraw/zinc/24/37/17/932243717.db2.gz LVLPAEFCAPMRSS-FGTMMUONSA-N 1 0 379.545 3.853 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000926695978 932275238 /nfs/dbraw/zinc/27/52/38/932275238.db2.gz ILNVACUETLHOJV-IRXDYDNUSA-N 1 0 377.529 3.607 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccnn2-c2ccccc2OC)c1 ZINC000797466488 932293212 /nfs/dbraw/zinc/29/32/12/932293212.db2.gz JUJOBXXBIPYVHH-IBGZPJMESA-N 1 0 376.460 3.852 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000926823189 932318733 /nfs/dbraw/zinc/31/87/33/932318733.db2.gz GSLZNRZNEAWXJV-AKHDSKFASA-N 1 0 391.556 3.853 20 30 GHEDRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926838566 932323258 /nfs/dbraw/zinc/32/32/58/932323258.db2.gz STPSJBZEAPKSJE-WBVHZDCISA-N 1 0 387.528 3.755 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000559003558 932367337 /nfs/dbraw/zinc/36/73/37/932367337.db2.gz KFIPLQHWGUHXAJ-IBGZPJMESA-N 1 0 378.524 3.561 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000559003582 932367515 /nfs/dbraw/zinc/36/75/15/932367515.db2.gz KMNAGRWCXYVZEM-QUCCMNQESA-N 1 0 397.592 3.960 20 30 GHEDRO CCc1onc(C)c1C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000927134640 932427005 /nfs/dbraw/zinc/42/70/05/932427005.db2.gz LHGKZAVGKOPGAA-HNNXBMFYSA-N 1 0 390.528 3.955 20 30 GHEDRO COc1cc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1OCCC(C)C ZINC000559273188 932570538 /nfs/dbraw/zinc/57/05/38/932570538.db2.gz HUUYGYVBHAQZCJ-INIZCTEOSA-N 1 0 393.491 3.885 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000559683168 932793136 /nfs/dbraw/zinc/79/31/36/932793136.db2.gz ROWCLNJPHUXLRF-MOPGFXCFSA-N 1 0 385.552 3.538 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000799031769 932857700 /nfs/dbraw/zinc/85/77/00/932857700.db2.gz PCYZXHUUDAYUDM-CLFYSBASSA-N 1 0 384.520 3.608 20 30 GHEDRO C=CCN1CC[C@H]([N@H+](C)Cc2c(O)ccc3cc(Br)ccc32)C1=O ZINC000799143899 932887760 /nfs/dbraw/zinc/88/77/60/932887760.db2.gz QUXPXRHRFJRIJR-KRWDZBQOSA-N 1 0 389.293 3.527 20 30 GHEDRO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000799164252 932895490 /nfs/dbraw/zinc/89/54/90/932895490.db2.gz QBTCWIPYNUURLP-GOSISDBHSA-N 1 0 379.545 3.808 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc1C#N ZINC000799338152 932957013 /nfs/dbraw/zinc/95/70/13/932957013.db2.gz HKBQYAVBUBFKTQ-IBGZPJMESA-N 1 0 381.476 3.922 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1O ZINC000799943087 933181918 /nfs/dbraw/zinc/18/19/18/933181918.db2.gz LTTBDFICOKBKCW-UHFFFAOYSA-N 1 0 377.488 3.972 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001116032791 933295432 /nfs/dbraw/zinc/29/54/32/933295432.db2.gz QHSBBFLYHVXRMK-FGZHOGPDSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)cc(OC)c1O ZINC001116054812 933308770 /nfs/dbraw/zinc/30/87/70/933308770.db2.gz DGHXLYUVGFWPTG-FQEVSTJZSA-N 1 0 380.488 3.524 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)s2)cc1 ZINC000929364969 933374345 /nfs/dbraw/zinc/37/43/45/933374345.db2.gz JNEFQEHXZRTRSP-UHFFFAOYSA-N 1 0 395.532 3.744 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000560972122 933745725 /nfs/dbraw/zinc/74/57/25/933745725.db2.gz DSLPKDYMPZRPEZ-PKOBYXMFSA-N 1 0 396.466 3.611 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000561021374 933790653 /nfs/dbraw/zinc/79/06/53/933790653.db2.gz ZLUQCOKAJGTVRG-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000930170623 933875286 /nfs/dbraw/zinc/87/52/86/933875286.db2.gz FCYHXJZRYHULDW-DENIHFKCSA-N 1 0 390.487 3.614 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC001117634050 933967133 /nfs/dbraw/zinc/96/71/33/933967133.db2.gz XTVYZONTEVVZBJ-INIZCTEOSA-N 1 0 379.464 3.599 20 30 GHEDRO N#Cc1cc(Cl)cc(Br)c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000561224448 933971636 /nfs/dbraw/zinc/97/16/36/933971636.db2.gz ASUKGQPLKIXTOW-LBPRGKRZSA-N 1 0 398.732 3.887 20 30 GHEDRO CSc1ccc2ncnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000561376637 934092842 /nfs/dbraw/zinc/09/28/42/934092842.db2.gz UPOXUWUJVNXPHW-UHFFFAOYSA-N 1 0 389.528 3.936 20 30 GHEDRO C#C[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC001118580473 934203076 /nfs/dbraw/zinc/20/30/76/934203076.db2.gz MNVPHVCJJKGGGT-UGKGYDQZSA-N 1 0 391.515 3.560 20 30 GHEDRO N#CCOc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001118886502 934275357 /nfs/dbraw/zinc/27/53/57/934275357.db2.gz DJTXVTNRJCEQKS-QFIPXVFZSA-N 1 0 389.499 3.507 20 30 GHEDRO Cc1cc(NC(=O)N[C@H](C)c2cccc(C#N)c2)ccc1N1CC[NH+](C)CC1 ZINC001119294318 934326765 /nfs/dbraw/zinc/32/67/65/934326765.db2.gz SNEPUINQEHWWMB-QGZVFWFLSA-N 1 0 377.492 3.501 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC000931113707 934382759 /nfs/dbraw/zinc/38/27/59/934382759.db2.gz UOHUIQDFLFNBOA-QFBILLFUSA-N 1 0 384.524 3.826 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC(O)(CC=C)CC1 ZINC001121495492 934674291 /nfs/dbraw/zinc/67/42/91/934674291.db2.gz IWUAVTRXRUIXDZ-HXUWFJFHSA-N 1 0 399.583 3.841 20 30 GHEDRO C=CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001121560641 934698490 /nfs/dbraw/zinc/69/84/90/934698490.db2.gz JTWWPBXQXJRVAY-KDURUIRLSA-N 1 0 399.489 3.545 20 30 GHEDRO C=CCn1c([C@H](C)c2ccsc2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001121638620 934722342 /nfs/dbraw/zinc/72/23/42/934722342.db2.gz CYSZHXWHJDTUFZ-UKBAYJJMSA-N 1 0 385.581 3.844 20 30 GHEDRO C=CCn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001121651208 934726710 /nfs/dbraw/zinc/72/67/10/934726710.db2.gz SLJYTYWHDMMPOT-JOCHJYFZSA-N 1 0 382.556 3.500 20 30 GHEDRO CCn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001121721448 934747720 /nfs/dbraw/zinc/74/77/20/934747720.db2.gz YDEHTSAXYHQTFA-HSZRJFAPSA-N 1 0 396.583 3.868 20 30 GHEDRO C=CCn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nnc1C(F)(F)CC1CC1 ZINC001121731685 934749827 /nfs/dbraw/zinc/74/98/27/934749827.db2.gz CAWQLBQPWJMHDN-GVDBMIGSSA-N 1 0 379.499 3.523 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC(C)(C)C[C@H]1C ZINC001122374381 934858790 /nfs/dbraw/zinc/85/87/90/934858790.db2.gz NYPBDPRTPYOMBJ-IEBWSBKVSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001122505734 934885550 /nfs/dbraw/zinc/88/55/50/934885550.db2.gz QGFYGZYXTCACJU-GOSISDBHSA-N 1 0 382.556 3.712 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CC[C@H](c2nc(C)cs2)C1 ZINC001122536744 934892795 /nfs/dbraw/zinc/89/27/95/934892795.db2.gz LSSWHECKSRAXPS-DLBZAZTESA-N 1 0 386.569 3.770 20 30 GHEDRO C=C(C)Cn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1-c1coc(C)c1 ZINC001122602796 934915770 /nfs/dbraw/zinc/91/57/70/934915770.db2.gz WWQHVCYPQNPCDG-UHFFFAOYSA-N 1 0 381.484 3.629 20 30 GHEDRO CCn1nc(C(C)C)cc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001122993982 935049822 /nfs/dbraw/zinc/04/98/22/935049822.db2.gz ARYSEFZOXRKBDM-UHFFFAOYSA-N 1 0 394.519 3.989 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)c1 ZINC000828074923 935574000 /nfs/dbraw/zinc/57/40/00/935574000.db2.gz ZSPGERMPBJSQGZ-UHFFFAOYSA-N 1 0 389.503 3.822 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)cn2)cc1 ZINC000828307883 935609072 /nfs/dbraw/zinc/60/90/72/935609072.db2.gz ALWQJGRVAQHSSO-UHFFFAOYSA-N 1 0 389.459 3.634 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)cc1F ZINC001137617137 935631448 /nfs/dbraw/zinc/63/14/48/935631448.db2.gz MHCUFUYVNRDRGT-GOSISDBHSA-N 1 0 381.451 3.530 20 30 GHEDRO COCCCC[NH+]1CCN(Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CC1 ZINC001137904006 935857561 /nfs/dbraw/zinc/85/75/61/935857561.db2.gz GUBCAKJBUPCPQX-UHFFFAOYSA-N 1 0 392.547 3.870 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1-c1nn[nH]n1 ZINC001573330032 947430655 /nfs/dbraw/zinc/43/06/55/947430655.db2.gz SISALCMNHUNXFE-WBMJQRKESA-N 1 0 376.302 3.854 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C#N ZINC001545668169 1014704953 /nfs/dbraw/zinc/70/49/53/1014704953.db2.gz NIKOBKMXZFIEAM-IRXDYDNUSA-N 1 0 393.539 3.753 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)CC#N ZINC001545674988 1014882233 /nfs/dbraw/zinc/88/22/33/1014882233.db2.gz PGQJLDBGSMBRKJ-MOPGFXCFSA-N 1 0 382.556 3.646 20 30 GHEDRO CCC(CC)[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)cc2Br)C1 ZINC001201134526 1014987331 /nfs/dbraw/zinc/98/73/31/1014987331.db2.gz KIURTZISVCIQLR-ZDUSSCGKSA-N 1 0 395.370 3.870 20 30 GHEDRO Cc1cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)ccc1OCC[NH+](C)C ZINC001626141070 1015033814 /nfs/dbraw/zinc/03/38/14/1015033814.db2.gz SJGSIZFHWQZFCL-UHFFFAOYSA-N 1 0 390.443 3.714 20 30 GHEDRO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000544876690 1015138248 /nfs/dbraw/zinc/13/82/48/1015138248.db2.gz FOHXTKXRIUHYHT-CQSZACIVSA-N 1 0 376.382 3.735 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)on2)c1 ZINC000468246198 1015492302 /nfs/dbraw/zinc/49/23/02/1015492302.db2.gz VJRJTWQRIHWRCU-HXUWFJFHSA-N 1 0 386.455 3.608 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000545294221 1015746674 /nfs/dbraw/zinc/74/66/74/1015746674.db2.gz AWJMKBGOTNDCDB-SJORKVTESA-N 1 0 378.476 3.694 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000468504958 1015761139 /nfs/dbraw/zinc/76/11/39/1015761139.db2.gz CRWKAELPCOZUOI-UHFFFAOYSA-N 1 0 390.531 3.947 20 30 GHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220892359 1032177051 /nfs/dbraw/zinc/17/70/51/1032177051.db2.gz DBLYIYNBBZLSNH-KRWDZBQOSA-N 1 0 398.532 3.507 20 30 GHEDRO C=CCCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC001220986684 1032224135 /nfs/dbraw/zinc/22/41/35/1032224135.db2.gz IDWOQVVHZCUHQA-VXKWHMMOSA-N 1 0 386.584 3.655 20 30 GHEDRO O=C(NCC1(CC2CCC2)CC[NH2+]CC1)c1ccc(C#CBr)cc1 ZINC001221132395 1032300637 /nfs/dbraw/zinc/30/06/37/1032300637.db2.gz ULAODNAULDXANV-UHFFFAOYSA-N 1 0 389.337 3.680 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccc(OCc3ccccc3)cc21 ZINC001154853398 1032311559 /nfs/dbraw/zinc/31/15/59/1032311559.db2.gz HCUPKPTWQYNUNI-SFHVURJKSA-N 1 0 390.487 3.522 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001221162760 1032312431 /nfs/dbraw/zinc/31/24/31/1032312431.db2.gz CUEAVHJHWVFLOL-UHFFFAOYSA-N 1 0 390.314 3.947 20 30 GHEDRO N#Cc1cc2ccc(O[C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)cc2oc1=O ZINC001227382017 1032396593 /nfs/dbraw/zinc/39/65/93/1032396593.db2.gz HOARSKZCXKEOPY-IBGZPJMESA-N 1 0 380.831 3.971 20 30 GHEDRO C=C(C)COCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001221770779 1032529171 /nfs/dbraw/zinc/52/91/71/1032529171.db2.gz AZFQRTBOKPYGTD-IBGZPJMESA-N 1 0 379.932 3.586 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)ncc1C(F)(F)F)CC2 ZINC001277240648 1032604166 /nfs/dbraw/zinc/60/41/66/1032604166.db2.gz YOAAEIKJNCDBJF-ZDUSSCGKSA-N 1 0 387.833 3.658 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1F ZINC001227879733 1032663763 /nfs/dbraw/zinc/66/37/63/1032663763.db2.gz UZQMUMWDSZUDKT-WRWLIDTKSA-N 1 0 381.407 3.895 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(O[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)cc1F ZINC001227880101 1032663859 /nfs/dbraw/zinc/66/38/59/1032663859.db2.gz ZGFVIMJLFRZAMI-JIPZTSHUSA-N 1 0 381.407 3.895 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cnn(C2CCCC2)c1 ZINC000558620940 1017242838 /nfs/dbraw/zinc/24/28/38/1017242838.db2.gz ZNZLRFFHQFWSCX-HRAATJIYSA-N 1 0 377.492 3.716 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCCn2nccc21 ZINC000926818661 1017315020 /nfs/dbraw/zinc/31/50/20/1017315020.db2.gz ZIPAVODOUDSTKF-DLBZAZTESA-N 1 0 387.528 3.627 20 30 GHEDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC000927164797 1017364284 /nfs/dbraw/zinc/36/42/84/1017364284.db2.gz MYIITAVFBZFQLI-INIZCTEOSA-N 1 0 380.496 3.590 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3cc(Cl)ccc32)C1 ZINC001227989474 1032726685 /nfs/dbraw/zinc/72/66/85/1032726685.db2.gz MOMLGDMVSXFATP-INIZCTEOSA-N 1 0 380.835 3.514 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c12 ZINC001155828763 1032729032 /nfs/dbraw/zinc/72/90/32/1032729032.db2.gz NKGILFSMZYDUQI-OXJNMPFZSA-N 1 0 388.874 3.921 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000562049206 1018019207 /nfs/dbraw/zinc/01/92/07/1018019207.db2.gz BNXXKZRMTBVTJR-BEFAXECRSA-N 1 0 394.906 3.676 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)cc1 ZINC001204299711 1032738012 /nfs/dbraw/zinc/73/80/12/1032738012.db2.gz FCSRRBMNSHYSMH-QFIPXVFZSA-N 1 0 376.500 3.747 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(C#N)cc1 ZINC000562495921 1018225640 /nfs/dbraw/zinc/22/56/40/1018225640.db2.gz PZFSUQHUKLSPBH-JOCHJYFZSA-N 1 0 397.544 3.761 20 30 GHEDRO C[C@H](COCC1CCCCC1)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932425199 1018293022 /nfs/dbraw/zinc/29/30/22/1018293022.db2.gz SWVGVLSRNXVJKU-APWZRJJASA-N 1 0 392.503 3.799 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2NCCc2ccc(Cl)cc2)CC1 ZINC001155872960 1032754544 /nfs/dbraw/zinc/75/45/44/1032754544.db2.gz IBYQUYJMASNUBP-UHFFFAOYSA-N 1 0 395.934 3.822 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc(CCC#N)cc2)CC1 ZINC000932569447 1018470044 /nfs/dbraw/zinc/47/00/44/1018470044.db2.gz BZEFZFJXOLVHQG-UHFFFAOYSA-N 1 0 386.540 3.745 20 30 GHEDRO C/C(=C\C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000778114909 1018615844 /nfs/dbraw/zinc/61/58/44/1018615844.db2.gz QQYADDHLMSOBAQ-NBVRZTHBSA-N 1 0 377.463 3.904 20 30 GHEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000562815171 1018674485 /nfs/dbraw/zinc/67/44/85/1018674485.db2.gz TYFHAGIJJXFQDH-DYESRHJHSA-N 1 0 394.494 3.797 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562847735 1018704768 /nfs/dbraw/zinc/70/47/68/1018704768.db2.gz YSLFZAHVOQJHCQ-OAOYMFHYSA-N 1 0 395.906 3.505 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CC#N)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000932914093 1018749659 /nfs/dbraw/zinc/74/96/59/1018749659.db2.gz FEDZVQADDJVELL-DJIMGWMZSA-N 1 0 382.430 3.525 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944660 1018775511 /nfs/dbraw/zinc/77/55/11/1018775511.db2.gz ZWDZVKBGDVSAMI-SDDRHHMPSA-N 1 0 394.350 3.964 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000933046939 1018818471 /nfs/dbraw/zinc/81/84/71/1018818471.db2.gz ZVUDTKNUSPDNOB-JOCHJYFZSA-N 1 0 391.556 3.952 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001204370482 1032810865 /nfs/dbraw/zinc/81/08/65/1032810865.db2.gz ADDGEORQGXAHFZ-GOTSBHOMSA-N 1 0 377.488 3.541 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccc3C#N)O2)cs1 ZINC001204371591 1032813683 /nfs/dbraw/zinc/81/36/83/1032813683.db2.gz WQVGERXPRRNFLC-PWRODBHTSA-N 1 0 383.517 3.662 20 30 GHEDRO COCCC[N@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204372014 1032813913 /nfs/dbraw/zinc/81/39/13/1032813913.db2.gz VEVAMDGFWNNKQK-FQEVSTJZSA-N 1 0 387.524 3.796 20 30 GHEDRO CSc1nc(C2CC2)cc(-c2nc(CC34CCC[NH+]3CCC4)no2)c1C#N ZINC000568739482 1019444681 /nfs/dbraw/zinc/44/46/81/1019444681.db2.gz JDLXPRUTMMPPHN-UHFFFAOYSA-N 1 0 381.505 3.773 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000569126364 1019468551 /nfs/dbraw/zinc/46/85/51/1019468551.db2.gz IXBVVJMVWWIBAO-LLVKDONJSA-N 1 0 377.120 3.794 20 30 GHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570344422 1019590157 /nfs/dbraw/zinc/59/01/57/1019590157.db2.gz WCEWRKKAJLOWNG-OAHLLOKOSA-N 1 0 388.874 3.590 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)CC2 ZINC000570438527 1019609827 /nfs/dbraw/zinc/60/98/27/1019609827.db2.gz FZQIDFZEBRGXBI-FCHUYYIVSA-N 1 0 381.907 3.862 20 30 GHEDRO CC1CCC([NH+]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)CC1 ZINC000572225774 1019758385 /nfs/dbraw/zinc/75/83/85/1019758385.db2.gz SPFFWFAEXPPJGJ-UHFFFAOYSA-N 1 0 392.551 3.555 20 30 GHEDRO C[NH+](C)Cc1cccc(CNc2ccc([C@@H](C#N)c3ccccc3F)nn2)c1 ZINC001156048491 1032856054 /nfs/dbraw/zinc/85/60/54/1032856054.db2.gz SQRPFWKSZOBOBZ-IBGZPJMESA-N 1 0 375.451 3.945 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000575799216 1019949033 /nfs/dbraw/zinc/94/90/33/1019949033.db2.gz BDVYIKZYSKXMNN-KCLUMXDGSA-N 1 0 383.536 3.732 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000577484598 1020207627 /nfs/dbraw/zinc/20/76/27/1020207627.db2.gz LPYZHQRBJDNYEX-DYVFJYSZSA-N 1 0 393.270 3.522 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(C)nn(-c3ccccc3)c1C)C2 ZINC001204449927 1032893084 /nfs/dbraw/zinc/89/30/84/1032893084.db2.gz YKLTWLKNGXWUPC-GGAORHGYSA-N 1 0 381.520 3.815 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000578319409 1020343548 /nfs/dbraw/zinc/34/35/48/1020343548.db2.gz KGEXWNMUZHPNAL-TZIWHRDSSA-N 1 0 376.504 3.823 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)Cc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000579397501 1020411344 /nfs/dbraw/zinc/41/13/44/1020411344.db2.gz TVXBYQUYVLQZOU-SFHVURJKSA-N 1 0 397.544 3.641 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000634708907 1020956517 /nfs/dbraw/zinc/95/65/17/1020956517.db2.gz ATJMABOEWQURKZ-ROUUACIJSA-N 1 0 387.442 3.595 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000194910733 1020968253 /nfs/dbraw/zinc/96/82/53/1020968253.db2.gz TZWBMTBWJTWBNA-QGZVFWFLSA-N 1 0 378.476 3.844 20 30 GHEDRO C[C@@H](NC(=[NH2+])NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000303910718 1021147783 /nfs/dbraw/zinc/14/77/83/1021147783.db2.gz ZDKVEVVKJBPYMQ-GHMZBOCLSA-N 1 0 397.272 3.843 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c[nH]c4cccc(O)c34)C2)CC1 ZINC001140230975 1021200484 /nfs/dbraw/zinc/20/04/84/1021200484.db2.gz CTEULHCRLRTKJS-UHFFFAOYSA-N 1 0 383.492 3.874 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c[nH]c3cccc(O)c23)CC1 ZINC001140235169 1021210119 /nfs/dbraw/zinc/21/01/19/1021210119.db2.gz RLBVWHNLOBMZKN-UHFFFAOYSA-N 1 0 377.444 3.797 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2ncnc(Cl)c2C#N)cc1 ZINC001156293284 1032962665 /nfs/dbraw/zinc/96/26/65/1032962665.db2.gz DOJMKYOJAIVKJK-MRXNPFEDSA-N 1 0 385.899 3.501 20 30 GHEDRO Cc1ccc2n[nH]c(C[NH+]3CCC(NC(=O)Nc4ccc(C#N)cc4)CC3)c2c1 ZINC001140331849 1021426430 /nfs/dbraw/zinc/42/64/30/1021426430.db2.gz ODHBACUDJMQRAN-UHFFFAOYSA-N 1 0 388.475 3.529 20 30 GHEDRO S=C(NN=C1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]12)Nc1cccnc1 ZINC000834921936 1021690311 /nfs/dbraw/zinc/69/03/11/1021690311.db2.gz KRRISEXHIVAUSY-UYAOXDASSA-N 1 0 379.533 3.799 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC[C@H]1O ZINC001140437059 1021703684 /nfs/dbraw/zinc/70/36/84/1021703684.db2.gz AYCBQDWVRKKVEO-FOIQADDNSA-N 1 0 383.492 3.889 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC[C@@]1(C)O ZINC001140437074 1021704203 /nfs/dbraw/zinc/70/42/03/1021704203.db2.gz BHNYYMDQKKWMOL-IVZQSRNASA-N 1 0 383.492 3.889 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CCC[C@H]1O ZINC001140437556 1021706144 /nfs/dbraw/zinc/70/61/44/1021706144.db2.gz KIZJKZRZPRJPLH-MGPUTAFESA-N 1 0 383.492 3.889 20 30 GHEDRO c1cnn(-c2ccc(N=NC3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)nn2)c1 ZINC000834940186 1021709004 /nfs/dbraw/zinc/70/90/04/1021709004.db2.gz GYZPZUCJJPYISV-UYAOXDASSA-N 1 0 387.491 3.505 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC)c(OCC3CC3)c1)C2 ZINC001140489436 1021813216 /nfs/dbraw/zinc/81/32/16/1021813216.db2.gz OHIJRPHDVLAIGN-OFNKIYASSA-N 1 0 387.520 3.810 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835051198 1021817693 /nfs/dbraw/zinc/81/76/93/1021817693.db2.gz IAERZSZKNOLUGD-KBXCAEBGSA-N 1 0 393.553 3.507 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000835068302 1021854983 /nfs/dbraw/zinc/85/49/83/1021854983.db2.gz DZTRLBCVCGVYRV-NHCUHLMSSA-N 1 0 399.535 3.843 20 30 GHEDRO COCC#CC[NH+]1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000677817625 1021884765 /nfs/dbraw/zinc/88/47/65/1021884765.db2.gz OBZFLVGHDMCVEJ-JOCHJYFZSA-N 1 0 383.536 3.825 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)c(C)c(Br)c3)C2)C1=O ZINC001140557402 1021963290 /nfs/dbraw/zinc/96/32/90/1021963290.db2.gz IKKBQELOBZGMJM-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3cc(C#N)ccc3Cl)C2)C1 ZINC001140600843 1022046098 /nfs/dbraw/zinc/04/60/98/1022046098.db2.gz XJFRAEUIXCHVFA-HNNXBMFYSA-N 1 0 375.900 3.900 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]12 ZINC001140603294 1022049631 /nfs/dbraw/zinc/04/96/31/1022049631.db2.gz ILEXIUULZCFCDU-QGPMSJSTSA-N 1 0 375.900 3.947 20 30 GHEDRO Cc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc(C)c1O ZINC001140659772 1022194616 /nfs/dbraw/zinc/19/46/16/1022194616.db2.gz RJHSCCITBFQBTM-UHFFFAOYSA-N 1 0 378.476 3.667 20 30 GHEDRO N#C[C@@H](c1ccc(-n2cncc2C[NH2+]Cc2ccccc2)nn1)c1ccccc1F ZINC001156496029 1033065730 /nfs/dbraw/zinc/06/57/30/1033065730.db2.gz AVINHFIASPUSIX-HXUWFJFHSA-N 1 0 398.445 3.747 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(Cl)c1 ZINC001140820879 1022627220 /nfs/dbraw/zinc/62/72/20/1022627220.db2.gz BVWUFOVFMLZZPE-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO Cc1c(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC001140847492 1022687658 /nfs/dbraw/zinc/68/76/58/1022687658.db2.gz QGGFVXIYSMBRLU-UHFFFAOYSA-N 1 0 386.499 3.736 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000754742686 1022875223 /nfs/dbraw/zinc/87/52/23/1022875223.db2.gz XFKXHDRLXSAYBK-DNVCBOLYSA-N 1 0 390.524 3.864 20 30 GHEDRO N#CCSc1ccccc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000754876685 1022945807 /nfs/dbraw/zinc/94/58/07/1022945807.db2.gz ACPLUTOIDIKLCN-UHFFFAOYSA-N 1 0 381.501 3.511 20 30 GHEDRO C#Cc1ccc(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000836543690 1023095765 /nfs/dbraw/zinc/09/57/65/1023095765.db2.gz XOMUCRXYFMFIRK-UHFFFAOYSA-N 1 0 376.504 3.511 20 30 GHEDRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000162182263 1023415406 /nfs/dbraw/zinc/41/54/06/1023415406.db2.gz KFDHDKCJXPFQHG-AWEZNQCLSA-N 1 0 399.310 3.508 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)ccc1OC ZINC000756029364 1023484826 /nfs/dbraw/zinc/48/48/26/1023484826.db2.gz ZUFKWLYOKJFJDV-MAUKXSAKSA-N 1 0 387.505 3.974 20 30 GHEDRO COC(=O)c1cccc([C@H]2CCCN2Cc2sc(N)c(C#N)c2Cl)c1 ZINC001141113148 1023529425 /nfs/dbraw/zinc/52/94/25/1023529425.db2.gz CEIRDWXIAHYZCQ-CQSZACIVSA-N 1 0 375.881 3.979 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(OC)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001204914035 1033162055 /nfs/dbraw/zinc/16/20/55/1033162055.db2.gz HCTYKVYYVVUFBF-QPPBQGQZSA-N 1 0 394.490 3.838 20 30 GHEDRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4ccc(F)cc4C#N)C[C@H]3O2)n1 ZINC001141163626 1023990102 /nfs/dbraw/zinc/99/01/02/1023990102.db2.gz MSDHKMKUXJRBPM-ONGXBYRLSA-N 1 0 380.467 3.963 20 30 GHEDRO CCOc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001138102648 1024092977 /nfs/dbraw/zinc/09/29/77/1024092977.db2.gz WMLPOTZOCSNQRR-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1F)CC2 ZINC001141218687 1024170396 /nfs/dbraw/zinc/17/03/96/1024170396.db2.gz YKUFBSLEXIGZAT-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO Cc1c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c2ccccc2n1C ZINC001138256807 1024482179 /nfs/dbraw/zinc/48/21/79/1024482179.db2.gz LHTDRHHBNZHHON-RUZDIDTESA-N 1 0 398.510 3.987 20 30 GHEDRO COC(=O)c1ccc2c(C[N@@H+]3CCC[C@H](Oc4ccccc4C#N)C3)c[nH]c2c1 ZINC001138267649 1024507273 /nfs/dbraw/zinc/50/72/73/1024507273.db2.gz VVWVUQYRBZWGSM-IBGZPJMESA-N 1 0 389.455 3.870 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](CC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001138349173 1024711113 /nfs/dbraw/zinc/71/11/13/1024711113.db2.gz UEFFFNZGJKLWFN-SFHVURJKSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](CC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001138349172 1024712341 /nfs/dbraw/zinc/71/23/41/1024712341.db2.gz UEFFFNZGJKLWFN-GOSISDBHSA-N 1 0 388.508 3.539 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(F)ccc3OC)C2)CC1 ZINC001138373359 1024737716 /nfs/dbraw/zinc/73/77/16/1024737716.db2.gz SFCDNEXVMXLWMS-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO COc1c(C)cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc1C ZINC001138430327 1024830243 /nfs/dbraw/zinc/83/02/43/1024830243.db2.gz XBUVATNKIBCXEN-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(N(C)C)s3)C[C@@H]2c2ccccc2)C1=O ZINC001138488172 1024920846 /nfs/dbraw/zinc/92/08/46/1024920846.db2.gz NMYPVWJCLRHOLE-OFNKIYASSA-N 1 0 395.572 3.818 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC001138559228 1025020833 /nfs/dbraw/zinc/02/08/33/1025020833.db2.gz PUOAGFPTCWEGRO-UHFFFAOYSA-N 1 0 376.456 3.690 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1O ZINC001138627140 1025127093 /nfs/dbraw/zinc/12/70/93/1025127093.db2.gz XVQMECFVJFAORE-UHFFFAOYSA-N 1 0 382.504 3.581 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)c1O ZINC001138627764 1025128953 /nfs/dbraw/zinc/12/89/53/1025128953.db2.gz OIZPCAGKTOPKOO-LJQANCHMSA-N 1 0 398.547 3.504 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)cc1 ZINC001138650650 1025164147 /nfs/dbraw/zinc/16/41/47/1025164147.db2.gz BLNQTMPXRCBSSP-JOCHJYFZSA-N 1 0 376.435 3.926 20 30 GHEDRO CC(C)(C)OC(=O)NCC1(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000838802293 1025373867 /nfs/dbraw/zinc/37/38/67/1025373867.db2.gz QZWVJBVXIQOFSE-UHFFFAOYSA-N 1 0 385.508 3.706 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000838801015 1025374802 /nfs/dbraw/zinc/37/48/02/1025374802.db2.gz CJMVTJDNAJGRSG-TWGQIWQCSA-N 1 0 388.511 3.740 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162037295 1025554190 /nfs/dbraw/zinc/55/41/90/1025554190.db2.gz RGIIWKVFZDCYMZ-UHFFFAOYSA-N 1 0 377.879 3.888 20 30 GHEDRO COc1cc(C#N)nc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)c1 ZINC001162052081 1025566893 /nfs/dbraw/zinc/56/68/93/1025566893.db2.gz MQOBHQWWWLVEQU-UHFFFAOYSA-N 1 0 390.409 3.757 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc(Cl)n1 ZINC001162197080 1025663055 /nfs/dbraw/zinc/66/30/55/1025663055.db2.gz JYDPFSGFIWYUMT-JCNLHEQBSA-N 1 0 391.853 3.823 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162197301 1025663151 /nfs/dbraw/zinc/66/31/51/1025663151.db2.gz DFVUGVYSJVJRIJ-MEMLXQNLSA-N 1 0 384.487 3.687 20 30 GHEDRO CCOc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)ccc1OC(C)=O ZINC001139009678 1025760432 /nfs/dbraw/zinc/76/04/32/1025760432.db2.gz UQHVNSAPNOYYOD-OAQYLSRUSA-N 1 0 394.471 3.926 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(-n2cc(CC[NH3+])c3c2cccc3Cl)n1 ZINC001162657181 1025855542 /nfs/dbraw/zinc/85/55/42/1025855542.db2.gz LOUUXVKSXPUVIM-UHFFFAOYSA-N 1 0 378.288 3.822 20 30 GHEDRO Cc1cc(C#N)cc(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)n1 ZINC001162679662 1025870439 /nfs/dbraw/zinc/87/04/39/1025870439.db2.gz DXJLBYTTYWRSIN-UHFFFAOYSA-N 1 0 390.487 3.591 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162847055 1025938407 /nfs/dbraw/zinc/93/84/07/1025938407.db2.gz GUARTMXJQUYWKQ-LBPRGKRZSA-N 1 0 379.807 3.690 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2ccc(C#N)c(Br)c2)CC1 ZINC001162856695 1025941870 /nfs/dbraw/zinc/94/18/70/1025941870.db2.gz WCDASGQBIHYQPY-UHFFFAOYSA-N 1 0 394.357 3.896 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1Cl ZINC001162957589 1025985195 /nfs/dbraw/zinc/98/51/95/1025985195.db2.gz OKOJPKWPRDJWNT-SNVBAGLBSA-N 1 0 389.714 3.874 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc4cccnc4c3)CC2)cc1 ZINC001139173590 1025999567 /nfs/dbraw/zinc/99/95/67/1025999567.db2.gz ZQWUNQHEZYAKNN-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1 ZINC000839541330 1026031939 /nfs/dbraw/zinc/03/19/39/1026031939.db2.gz CXCZXZQFDIACLY-MRXNPFEDSA-N 1 0 383.517 3.571 20 30 GHEDRO N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163073533 1026034160 /nfs/dbraw/zinc/03/41/60/1026034160.db2.gz LQDBEPLOBHSODH-CQSZACIVSA-N 1 0 396.800 3.569 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000839547419 1026040781 /nfs/dbraw/zinc/04/07/81/1026040781.db2.gz RPCDKSZDQDUTHD-SFHVURJKSA-N 1 0 387.524 3.929 20 30 GHEDRO COc1cc(N2CC[NH+](CCC3(C#N)CCCCC3)CC2)cc(OC)c1OC ZINC000839556671 1026056308 /nfs/dbraw/zinc/05/63/08/1026056308.db2.gz NGWFKSFECUOBFR-UHFFFAOYSA-N 1 0 387.524 3.699 20 30 GHEDRO C#CC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000839580290 1026076671 /nfs/dbraw/zinc/07/66/71/1026076671.db2.gz FIZFYKNBKJMKMN-UHFFFAOYSA-N 1 0 393.487 3.620 20 30 GHEDRO CCOc1ccc(NC(=O)NC2CCN(Cc3ccccc3C#N)CC2)cc1 ZINC001202914827 1026111903 /nfs/dbraw/zinc/11/19/03/1026111903.db2.gz XAJCOLGHKTYGJG-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000832954632 1026120994 /nfs/dbraw/zinc/12/09/94/1026120994.db2.gz SEXSOSDFHUAKMF-MRXNPFEDSA-N 1 0 376.504 3.522 20 30 GHEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000839627615 1026132954 /nfs/dbraw/zinc/13/29/54/1026132954.db2.gz BMAVLKQJFBYVJQ-WTOYTKOKSA-N 1 0 377.488 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000839643950 1026155463 /nfs/dbraw/zinc/15/54/63/1026155463.db2.gz MDVYKHGSYLVNQN-ZWKOTPCHSA-N 1 0 379.545 3.711 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1cc(Cl)ncc1C#N)c1ccc(Cl)cc1 ZINC001163386328 1026172280 /nfs/dbraw/zinc/17/22/80/1026172280.db2.gz VYQCEZQHDPILGZ-QGZVFWFLSA-N 1 0 379.291 3.991 20 30 GHEDRO COC(=O)c1[nH]c2ccccc2c1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001139399661 1026270165 /nfs/dbraw/zinc/27/01/65/1026270165.db2.gz QKCKHUYEDSXBCV-UHFFFAOYSA-N 1 0 389.455 3.870 20 30 GHEDRO CC(C)(C)OC(=O)NCC1C[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402615 1026273541 /nfs/dbraw/zinc/27/35/41/1026273541.db2.gz URZJPLVVEFGINN-UHFFFAOYSA-N 1 0 378.476 3.577 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001139405843 1026279250 /nfs/dbraw/zinc/27/92/50/1026279250.db2.gz CVUYZJIXQJGHHX-IERDGZPVSA-N 1 0 392.503 3.965 20 30 GHEDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)n1 ZINC001139406391 1026279371 /nfs/dbraw/zinc/27/93/71/1026279371.db2.gz QUIAXSUBYFFFGD-HXUWFJFHSA-N 1 0 386.455 3.677 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3ccc(/C(C)=N/O)cc3)CC2)cc1 ZINC001164335358 1026489612 /nfs/dbraw/zinc/48/96/12/1026489612.db2.gz AYYLYRHULVDPHW-HKOYGPOVSA-N 1 0 382.508 3.518 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3cccc(F)c3CC#N)CC2)cc1 ZINC001164336406 1026490508 /nfs/dbraw/zinc/49/05/08/1026490508.db2.gz ZZQJXCWTTUOIAJ-UHFFFAOYSA-N 1 0 382.483 3.525 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001164349765 1026492950 /nfs/dbraw/zinc/49/29/50/1026492950.db2.gz GAAJHMHCECUOMG-UHFFFAOYSA-N 1 0 385.405 3.533 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1 ZINC001139649162 1026510587 /nfs/dbraw/zinc/51/05/87/1026510587.db2.gz PQQFJSDFGCHOMI-HSZRJFAPSA-N 1 0 375.447 3.598 20 30 GHEDRO N#Cc1cc(N2CCC(C[NH3+])(c3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164443202 1026515624 /nfs/dbraw/zinc/51/56/24/1026515624.db2.gz PLEGBTNPWLOFHN-UHFFFAOYSA-N 1 0 387.443 3.512 20 30 GHEDRO C[C@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164477873 1026522229 /nfs/dbraw/zinc/52/22/29/1026522229.db2.gz STFRTDZZBXGVJG-GXTWGEPZSA-N 1 0 391.853 3.777 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CCN(Cc3cccc(Cl)c3C#N)C2)C1 ZINC001139687293 1026538723 /nfs/dbraw/zinc/53/87/23/1026538723.db2.gz NJMNQRRZMXGHGN-CQSZACIVSA-N 1 0 375.900 3.900 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4C#N)CC[C@@H]2C1 ZINC001139704789 1026549693 /nfs/dbraw/zinc/54/96/93/1026549693.db2.gz YCUKVUKITVQIHU-AEFFLSMTSA-N 1 0 380.492 3.728 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@H](Oc4cc(C(F)(F)F)ncn4)C3)c[nH]c21 ZINC001139707561 1026551949 /nfs/dbraw/zinc/55/19/49/1026551949.db2.gz KDARVRMMRLDUFP-AWEZNQCLSA-N 1 0 387.365 3.502 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC(NC(=O)c4ccc(F)cc4)CC3)c[nH]c21 ZINC001139707387 1026552309 /nfs/dbraw/zinc/55/23/09/1026552309.db2.gz YYCYFPODJIPEHT-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(C)c(Br)c1)CC2 ZINC001139729394 1026573201 /nfs/dbraw/zinc/57/32/01/1026573201.db2.gz ZUOXSORQORBQJX-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO C[NH+](C)C[C@@H]1CCCN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001165074570 1026588691 /nfs/dbraw/zinc/58/86/91/1026588691.db2.gz NCISWDINXZTCAI-HNNXBMFYSA-N 1 0 391.853 3.744 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165088790 1026598845 /nfs/dbraw/zinc/59/88/45/1026598845.db2.gz SPIACVQLCMJSBK-YJBOKZPZSA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[N@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC001139768635 1026603931 /nfs/dbraw/zinc/60/39/31/1026603931.db2.gz RTPSWPMNQVKIRT-PMACEKPBSA-N 1 0 388.556 3.928 20 30 GHEDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001165109330 1026611761 /nfs/dbraw/zinc/61/17/61/1026611761.db2.gz UAJODVYZJOAOGD-OAQYLSRUSA-N 1 0 394.494 3.839 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnc(-c4ccc(OC)cc4)s3)C2)C1=O ZINC001139794185 1026617799 /nfs/dbraw/zinc/61/77/99/1026617799.db2.gz VYBHKEIJWSHPEV-JOCHJYFZSA-N 1 0 397.544 3.819 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)n3ncc4c3CC[NH2+]C4)cnc2Cl)c1 ZINC001165224007 1026672598 /nfs/dbraw/zinc/67/25/98/1026672598.db2.gz YZBNZJSFVFRLLO-UHFFFAOYSA-N 1 0 385.805 3.713 20 30 GHEDRO N#Cc1cc(F)cc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001139876571 1026691731 /nfs/dbraw/zinc/69/17/31/1026691731.db2.gz DXPSRWOOUKTAEV-VWNXMTODSA-N 1 0 397.538 3.658 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)c1 ZINC001139876490 1026691896 /nfs/dbraw/zinc/69/18/96/1026691896.db2.gz AKIHCSLRBAKHQS-UHFFFAOYSA-N 1 0 395.453 3.994 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCCCC12CC[NH2+]CC2 ZINC001165339901 1026707327 /nfs/dbraw/zinc/70/73/27/1026707327.db2.gz DBUQFJQLMOWGLJ-UHFFFAOYSA-N 1 0 383.883 3.906 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001165433748 1026727223 /nfs/dbraw/zinc/72/72/23/1026727223.db2.gz KHZCQLHISPURNN-SKDRFNHKSA-N 1 0 380.801 3.551 20 30 GHEDRO N#Cc1cc2c(nc1N(c1cccc(F)c1)[C@@H]1CO[C@@]3(C1)CCC[NH2+]C3)CCC2 ZINC001165479333 1026741492 /nfs/dbraw/zinc/74/14/92/1026741492.db2.gz JWJPUUSFSQRHAS-NZQKXSOJSA-N 1 0 392.478 3.630 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cc4ccccc4cn3)CC2)cc1 ZINC001140000248 1026788971 /nfs/dbraw/zinc/78/89/71/1026788971.db2.gz HGKBKMFOWLVLCH-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO CC(C)(C)N(c1nc(C#N)c(Cl)cc1Cl)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671538 1026791982 /nfs/dbraw/zinc/79/19/82/1026791982.db2.gz FXCWHHIWOXILSX-LBPRGKRZSA-N 1 0 383.323 3.776 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)c2c1 ZINC001140114120 1026895884 /nfs/dbraw/zinc/89/58/84/1026895884.db2.gz PDNJQADJYCJJSK-NRFANRHFSA-N 1 0 384.483 3.535 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4c[nH]c5ccc(C#N)cc45)CC[N@@H+]3C2)cc1 ZINC001140114277 1026896222 /nfs/dbraw/zinc/89/62/22/1026896222.db2.gz MSIVLWVOLVILOL-UNMCSNQZSA-N 1 0 386.499 3.686 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H]12 ZINC001140117485 1026898165 /nfs/dbraw/zinc/89/81/65/1026898165.db2.gz SGPNJWFNDCNFQP-MOXGXCLJSA-N 1 0 380.492 3.775 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccc(O)cc4F)C3)C2)c1 ZINC001140127178 1026904694 /nfs/dbraw/zinc/90/46/94/1026904694.db2.gz PHBPNWNVJSTGRQ-HSZRJFAPSA-N 1 0 395.478 3.522 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(F)c1 ZINC001140138751 1026913326 /nfs/dbraw/zinc/91/33/26/1026913326.db2.gz QJSXGDDVCBGHDZ-QHCPKHFHSA-N 1 0 395.453 3.851 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(N2CCN(Cc3ccc(C#N)cc3F)CC2)cc1 ZINC001140139831 1026914024 /nfs/dbraw/zinc/91/40/24/1026914024.db2.gz MRUMMECENRQYFB-UHFFFAOYSA-N 1 0 395.478 3.975 20 30 GHEDRO Cc1ccc(N(c2nccc(Cl)c2C#N)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166314312 1026972699 /nfs/dbraw/zinc/97/26/99/1026972699.db2.gz QQHNWOGFIWLYHJ-UHFFFAOYSA-N 1 0 390.878 3.863 20 30 GHEDRO Cc1nc(Cl)nc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1C#N ZINC001166494835 1027014370 /nfs/dbraw/zinc/01/43/70/1027014370.db2.gz BAFINWRTLZHRFW-UHFFFAOYSA-N 1 0 390.834 3.822 20 30 GHEDRO C=CCNC(=O)c1cccnc1N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001166496757 1027014912 /nfs/dbraw/zinc/01/49/12/1027014912.db2.gz RTTHMUSBUROCIO-UHFFFAOYSA-N 1 0 399.454 3.509 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840086329 1027164493 /nfs/dbraw/zinc/16/44/93/1027164493.db2.gz MKHQIYHZXVRUCA-QFIPXVFZSA-N 1 0 397.592 3.951 20 30 GHEDRO C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[N@@H+](C)C[C@@H]2CC)c1=S ZINC000840091750 1027174314 /nfs/dbraw/zinc/17/43/14/1027174314.db2.gz NWJHCWCDPMXUNW-KRWDZBQOSA-N 1 0 391.972 3.904 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000840104830 1027196683 /nfs/dbraw/zinc/19/66/83/1027196683.db2.gz BAKRKXLEJPVWSD-DLBZAZTESA-N 1 0 392.528 3.553 20 30 GHEDRO CCOC(=O)CCCc1ccc(C#N)cc1Nc1cnn(CC[NH+](CC)CC)c1 ZINC001203262816 1027251861 /nfs/dbraw/zinc/25/18/61/1027251861.db2.gz OLTXIXCVVVKXTO-UHFFFAOYSA-N 1 0 397.523 3.726 20 30 GHEDRO C=CCNC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000840251978 1027381235 /nfs/dbraw/zinc/38/12/35/1027381235.db2.gz SIRQOSUDEBXSQN-UHFFFAOYSA-N 1 0 377.488 3.841 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(OC)ccc1OC)CC2 ZINC001203518676 1027399271 /nfs/dbraw/zinc/39/92/71/1027399271.db2.gz OPPTVCDLBBUWEU-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO CCOc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c1O ZINC001203614293 1027478184 /nfs/dbraw/zinc/47/81/84/1027478184.db2.gz UZOZKPJTKUHXOL-UHFFFAOYSA-N 1 0 382.460 3.715 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)cc1C#N ZINC001203639133 1027498219 /nfs/dbraw/zinc/49/82/19/1027498219.db2.gz HDIOJVOOWGDUSG-UHFFFAOYSA-N 1 0 399.922 3.521 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)c(F)c1)CC2 ZINC001203790602 1027605695 /nfs/dbraw/zinc/60/56/95/1027605695.db2.gz LJRXVSWYPUJBLY-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)C[C@@H]2O1 ZINC001203881762 1027677411 /nfs/dbraw/zinc/67/74/11/1027677411.db2.gz PAYDJATZDPNPFC-MMVMTREESA-N 1 0 378.472 3.909 20 30 GHEDRO CCN1CC2(CC1=O)CC[NH+](Cc1ccc(C#Cc3ccccc3)s1)CC2 ZINC001141977899 1027791775 /nfs/dbraw/zinc/79/17/75/1027791775.db2.gz RTXKQLGKDGBPOK-UHFFFAOYSA-N 1 0 378.541 3.982 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001204012753 1027806529 /nfs/dbraw/zinc/80/65/29/1027806529.db2.gz XNANCWCJLVYZIU-JLSDUUJJSA-N 1 0 390.911 3.982 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(C(F)(F)F)ccc3N)cc2C#N)CC1 ZINC001211151244 1027812462 /nfs/dbraw/zinc/81/24/62/1027812462.db2.gz RYTZEOMXNKOQPL-UHFFFAOYSA-N 1 0 375.398 3.655 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1 ZINC000840800257 1027838327 /nfs/dbraw/zinc/83/83/27/1027838327.db2.gz FFBNYIPFMSZZIM-VQIMIIECSA-N 1 0 395.927 3.884 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C1CCCCC1 ZINC001211270282 1027877999 /nfs/dbraw/zinc/87/79/99/1027877999.db2.gz VYKBXHHPYUMOJR-QZTJIDSGSA-N 1 0 396.457 3.971 20 30 GHEDRO CC(C)c1ccc(-c2noc([C@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)cc1 ZINC001211379858 1027931010 /nfs/dbraw/zinc/93/10/10/1027931010.db2.gz PVKAOMQAYXDXHZ-NRFANRHFSA-N 1 0 387.487 3.726 20 30 GHEDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000840912659 1027947863 /nfs/dbraw/zinc/94/78/63/1027947863.db2.gz MKKZLVYZORVYGA-UHFFFAOYSA-N 1 0 376.504 3.783 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001213369447 1028143255 /nfs/dbraw/zinc/14/32/55/1028143255.db2.gz RGTAFROWENXSAC-OAQYLSRUSA-N 1 0 397.544 3.590 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1C#N ZINC000841156935 1028224825 /nfs/dbraw/zinc/22/48/25/1028224825.db2.gz WAIWQHPUNICQGG-GOSISDBHSA-N 1 0 395.463 3.728 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(C)nn(C(C)(C)C)c3C)C2)C1 ZINC001142155540 1028261216 /nfs/dbraw/zinc/26/12/16/1028261216.db2.gz GGEPOFRZKJRQQG-QFIPXVFZSA-N 1 0 388.556 3.865 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000176884756 1028355787 /nfs/dbraw/zinc/35/57/87/1028355787.db2.gz QXLGDVOKFKUASG-CYBMUJFWSA-N 1 0 398.406 3.581 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2cn(-c3cc[nH+]cc3)cn2)n1 ZINC001214197452 1028592361 /nfs/dbraw/zinc/59/23/61/1028592361.db2.gz CNHJPLGVPKNBIV-UHFFFAOYSA-N 1 0 393.204 3.618 20 30 GHEDRO C=CCc1cc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)cc(OC)c1O ZINC001461403830 1069535991 /nfs/dbraw/zinc/53/59/91/1069535991.db2.gz BYFDYPPVVOGEFB-UHFFFAOYSA-N 1 0 382.382 3.712 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)s1 ZINC000841830894 1028972032 /nfs/dbraw/zinc/97/20/32/1028972032.db2.gz ORKGTZNCFSWCBN-MOPGFXCFSA-N 1 0 394.544 3.818 20 30 GHEDRO C=CCSc1ncccc1-c1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001214968204 1028980381 /nfs/dbraw/zinc/98/03/81/1028980381.db2.gz LRVLDBFKBHFGKE-UHFFFAOYSA-N 1 0 393.516 3.829 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC001215273047 1029125541 /nfs/dbraw/zinc/12/55/41/1029125541.db2.gz DCKQBPRHVODVMR-QFIPXVFZSA-N 1 0 377.488 3.731 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c2)nc1 ZINC001215438380 1029208278 /nfs/dbraw/zinc/20/82/78/1029208278.db2.gz JLKAMVUDHAUUEJ-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3nc(-c4cccc(C#N)c4)no3)c(Cl)c2)CC1 ZINC001215530468 1029254753 /nfs/dbraw/zinc/25/47/53/1029254753.db2.gz GHXCHPYETHOFBZ-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC000842681953 1029488344 /nfs/dbraw/zinc/48/83/44/1029488344.db2.gz KQIKMXVDKFSKCQ-NLWGTHIKSA-N 1 0 377.573 3.652 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3cccc(N4CC[NH+](C)CC4)c3)n2)c(F)c1 ZINC001216453799 1029645063 /nfs/dbraw/zinc/64/50/63/1029645063.db2.gz YZZDZCVHGXHTOL-UHFFFAOYSA-N 1 0 394.450 3.859 20 30 GHEDRO CC(C)COC[C@H]1CN(Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(C)c21 ZINC001142916174 1029688672 /nfs/dbraw/zinc/68/86/72/1029688672.db2.gz ORKXFASNBSVSCG-GOSISDBHSA-N 1 0 377.492 3.545 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c[nH]c2c1 ZINC001142917045 1029690069 /nfs/dbraw/zinc/69/00/69/1029690069.db2.gz QAQUNTWTVCGIOV-OAQYLSRUSA-N 1 0 384.483 3.535 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)[C@@H]2CC ZINC001142916957 1029690518 /nfs/dbraw/zinc/69/05/18/1029690518.db2.gz MHIWRNOKSZULRT-GGAORHGYSA-N 1 0 376.504 3.961 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@H]2C1 ZINC001142922577 1029698026 /nfs/dbraw/zinc/69/80/26/1029698026.db2.gz MXXKTWXDWSIYHY-AEFFLSMTSA-N 1 0 380.492 3.728 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC ZINC001222070711 1029956084 /nfs/dbraw/zinc/95/60/84/1029956084.db2.gz LMMIBVRACNVYNA-GOSISDBHSA-N 1 0 379.932 3.690 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@@H]21 ZINC001222125322 1029972363 /nfs/dbraw/zinc/97/23/63/1029972363.db2.gz DSQSJWSKHRVPMC-MJGOQNOKSA-N 1 0 380.517 3.522 20 30 GHEDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000843417131 1029990333 /nfs/dbraw/zinc/99/03/33/1029990333.db2.gz PSSSVIRPMIAVGZ-SJORKVTESA-N 1 0 386.540 3.808 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(-c3ccccc3N3CC[NH2+]CC3)n2)c(C#N)c1 ZINC001216943638 1030016796 /nfs/dbraw/zinc/01/67/96/1030016796.db2.gz KCTYWALEXRWNJQ-UHFFFAOYSA-N 1 0 387.487 3.982 20 30 GHEDRO CCCCCCCCc1ccc(CN2CC(=O)NC3(CC[NH2+]CC3)C2)s1 ZINC001222521448 1030179613 /nfs/dbraw/zinc/17/96/13/1030179613.db2.gz RVWQZZYAPXOTEI-UHFFFAOYSA-N 1 0 377.598 3.705 20 30 GHEDRO C#CC1CCN(C(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)CC1 ZINC001222676927 1030275220 /nfs/dbraw/zinc/27/52/20/1030275220.db2.gz RKPJEWKVWCWHNA-UHFFFAOYSA-N 1 0 397.563 3.885 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)cnc3C)CC2)C1=O ZINC001276849935 1030351814 /nfs/dbraw/zinc/35/18/14/1030351814.db2.gz BFVUNLLOWXLVPF-IBGZPJMESA-N 1 0 392.341 3.543 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC001150140843 1030422795 /nfs/dbraw/zinc/42/27/95/1030422795.db2.gz JBKFYWPZDCGZKL-PTUXOGIPSA-N 1 0 375.516 3.786 20 30 GHEDRO COc1cc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)ccc1C#N ZINC001461689664 1069680132 /nfs/dbraw/zinc/68/01/32/1069680132.db2.gz FXHTUSKWIFTQKN-GGPHIMKMSA-N 1 0 385.508 3.835 20 30 GHEDRO Cc1nc2ccccc2nc1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001150874119 1030692676 /nfs/dbraw/zinc/69/26/76/1030692676.db2.gz MFHSRXURLQEOFA-MXVIHJGJSA-N 1 0 399.498 3.722 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3C[NH2+]CCC[C@H]3F)c3ccccc23)ccc1F ZINC001217980488 1030703019 /nfs/dbraw/zinc/70/30/19/1030703019.db2.gz KXILOLYNICIQFQ-CTNGQTDRSA-N 1 0 394.425 3.700 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2CCC[NH2+]CC2)c1 ZINC001217996772 1030713573 /nfs/dbraw/zinc/71/35/73/1030713573.db2.gz LHNNYIGRKSJARQ-RUJXFNLJSA-N 1 0 397.471 3.826 20 30 GHEDRO COc1cc(O[C@@H]2CC[NH2+]CC[C@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218022719 1030728565 /nfs/dbraw/zinc/72/85/65/1030728565.db2.gz HHHZLAHBNQPCOY-KTKBRETHSA-N 1 0 385.435 3.766 20 30 GHEDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001218029576 1030733030 /nfs/dbraw/zinc/73/30/30/1030733030.db2.gz LRYLPFWXEZBPDP-UYFMEYDNSA-N 1 0 379.504 3.697 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC001218044641 1030740215 /nfs/dbraw/zinc/74/02/15/1030740215.db2.gz XXWFBYSOSAOYTF-HDQHJLAESA-N 1 0 397.471 3.682 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[NH2+][C@H](C)C2)c1OC ZINC001218052212 1030742255 /nfs/dbraw/zinc/74/22/55/1030742255.db2.gz AHKLYKPLGGUILI-AMMZPXFLSA-N 1 0 397.471 3.825 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc4c(cccc4Br)[nH]3)C2)C1=O ZINC001276922735 1030766255 /nfs/dbraw/zinc/76/62/55/1030766255.db2.gz OGGDYZSQYRBKSX-LJQANCHMSA-N 1 0 388.309 3.541 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218186106 1030811406 /nfs/dbraw/zinc/81/14/06/1030811406.db2.gz LRRGZRJSAFOMSK-ZYDJEPKDSA-N 1 0 377.488 3.592 20 30 GHEDRO C[C@@H](Oc1cccc(CN2CC[NH2+]CC2)c1)C(F)(F)C(F)(F)C(F)(F)F ZINC001218196776 1030819968 /nfs/dbraw/zinc/81/99/68/1030819968.db2.gz KRRVDISRQDILTN-LLVKDONJSA-N 1 0 388.327 3.692 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(CC)c(F)cc1Oc1ccc(C(N)=O)cc1F ZINC001218206585 1030829033 /nfs/dbraw/zinc/82/90/33/1030829033.db2.gz CROBDRUGIPXIGM-FQEVSTJZSA-N 1 0 388.414 3.715 20 30 GHEDRO COc1cc(O[C@@H]2CCC3(C[NH2+]C3)C2)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218241181 1030847234 /nfs/dbraw/zinc/84/72/34/1030847234.db2.gz PVGBHMDHJXGXNV-ROSSNEFBSA-N 1 0 379.456 3.818 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)cc2)cc1 ZINC001218246956 1030850905 /nfs/dbraw/zinc/85/09/05/1030850905.db2.gz BXMLHYPFMJJUCV-NBCNXNJRSA-N 1 0 399.512 3.604 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218255910 1030858244 /nfs/dbraw/zinc/85/82/44/1030858244.db2.gz PDCFSKARQMHCFS-RUDMXATFSA-N 1 0 379.456 3.905 20 30 GHEDRO COc1cc(O[C@@H]2C[NH2+]CCC2(F)F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218456252 1030943370 /nfs/dbraw/zinc/94/33/70/1030943370.db2.gz MPMVGGRXBXVEJX-CWFIWJMMSA-N 1 0 389.398 3.673 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c2ccsc2n(C(C)C)c(=O)c1C(=O)OC ZINC001218458278 1030944262 /nfs/dbraw/zinc/94/42/62/1030944262.db2.gz GVEJHEWPNATYLC-HUUCEWRRSA-N 1 0 390.505 3.506 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218460202 1030946526 /nfs/dbraw/zinc/94/65/26/1030946526.db2.gz KLQBMGGZANFIKQ-QNVBHFJZSA-N 1 0 391.515 3.697 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218470168 1030950858 /nfs/dbraw/zinc/95/08/58/1030950858.db2.gz ZLMGXLFLYPWXSF-DUXKGJEZSA-N 1 0 391.467 3.776 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2C[NH2+]CC[C@H]2C)c1OC ZINC001218484340 1030956699 /nfs/dbraw/zinc/95/66/99/1030956699.db2.gz RVMVHUBZFXWEHY-VYJOMICCSA-N 1 0 397.471 3.682 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)CCC[NH2+]1 ZINC001218549126 1030983989 /nfs/dbraw/zinc/98/39/89/1030983989.db2.gz PTUQVWRZBDLZJB-OAQYLSRUSA-N 1 0 382.485 3.676 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001218742669 1031061231 /nfs/dbraw/zinc/06/12/31/1031061231.db2.gz JNXMHHHEFYQOPU-SFHVURJKSA-N 1 0 376.847 3.782 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1onc(C(=O)OCC)c1-c1ccccc1 ZINC001218749179 1031064314 /nfs/dbraw/zinc/06/43/14/1031064314.db2.gz UWGOQHJNCYZYSK-INIZCTEOSA-N 1 0 385.464 3.921 20 30 GHEDRO O=C(Nc1cccc(OC(F)(F)C(F)F)c1)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001218815661 1031092774 /nfs/dbraw/zinc/09/27/74/1031092774.db2.gz DIZWYYLKKVQOGF-KWQFWETISA-N 1 0 388.283 3.792 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC001461736157 1069712998 /nfs/dbraw/zinc/71/29/98/1069712998.db2.gz PQWKKKCIKUPSLD-ZCNNSNEGSA-N 1 0 384.520 3.966 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)C[C@@H]([NH3+])COCc2ccccc2)c1 ZINC001219310614 1031351783 /nfs/dbraw/zinc/35/17/83/1031351783.db2.gz KVLLABCMRJGFTE-HXUWFJFHSA-N 1 0 380.564 3.788 20 30 GHEDRO CCOC(=O)c1sc(SC)c(C#N)c1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001225374596 1031369566 /nfs/dbraw/zinc/36/95/66/1031369566.db2.gz FOVUTSDCPJIQHG-IMRBUKKESA-N 1 0 380.535 3.627 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC001219912455 1031691216 /nfs/dbraw/zinc/69/12/16/1031691216.db2.gz QNEROSHPFNEDHD-WMLDXEAASA-N 1 0 396.457 3.971 20 30 GHEDRO C=CCCC1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1 ZINC001220482789 1031959290 /nfs/dbraw/zinc/95/92/90/1031959290.db2.gz DXZFYTATDOHSKD-UHFFFAOYSA-N 1 0 377.573 3.847 20 30 GHEDRO C=CCCCNC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001220569629 1031992741 /nfs/dbraw/zinc/99/27/41/1031992741.db2.gz NQUHMLYDPCLJLR-UHFFFAOYSA-N 1 0 392.547 3.774 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])NC(O)=Cc2ccc3[nH]c4ccccc4c3c2)cc1 ZINC001220579315 1031996181 /nfs/dbraw/zinc/99/61/81/1031996181.db2.gz NPXGJDIYMXYTNS-UHFFFAOYSA-N 1 0 385.423 3.582 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC[C@H]2CCCCO2)cc1 ZINC000134216038 1032034469 /nfs/dbraw/zinc/03/44/69/1032034469.db2.gz BBFYEDUGBSOAEM-LJQANCHMSA-O 1 0 397.564 3.942 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001220663713 1032050690 /nfs/dbraw/zinc/05/06/90/1032050690.db2.gz LPXMSVFNUWQCAM-WMZOPIPTSA-N 1 0 377.488 3.870 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)NCCc1ccc(OCc2ccccn2)cc1 ZINC001220670590 1032053674 /nfs/dbraw/zinc/05/36/74/1032053674.db2.gz KVWCGOQEJPEUEY-QFIPXVFZSA-N 1 0 381.520 3.783 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2ncc(F)c(Oc3ccc(C#N)cc3)n2)cn1 ZINC001205225645 1033315798 /nfs/dbraw/zinc/31/57/98/1033315798.db2.gz NPJDWRKFCZURAU-UHFFFAOYSA-N 1 0 393.422 3.672 20 30 GHEDRO COCCC[NH+]1CCC(Oc2ccccc2/C=N/N=C/c2ccccc2O)CC1 ZINC001229294598 1033395996 /nfs/dbraw/zinc/39/59/96/1033395996.db2.gz RDWJZOMEKDFMAL-WZGDJCGDSA-N 1 0 395.503 3.725 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205459120 1033421932 /nfs/dbraw/zinc/42/19/32/1033421932.db2.gz CCQKUDIHFJDMRR-NQIIRXRSSA-N 1 0 391.462 3.868 20 30 GHEDRO CC(=O)N1CC2(CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c2cc(C)ccc21 ZINC001205472347 1033428498 /nfs/dbraw/zinc/42/84/98/1033428498.db2.gz CBFYZBXOOVMCCW-UHFFFAOYSA-N 1 0 377.463 3.906 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c1C#N ZINC001157166300 1033442467 /nfs/dbraw/zinc/44/24/67/1033442467.db2.gz AFYTXPJPAKBXDO-LBPRGKRZSA-N 1 0 387.311 3.820 20 30 GHEDRO C[N@@H+]1CCC[C@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)C1 ZINC001229383710 1033452430 /nfs/dbraw/zinc/45/24/30/1033452430.db2.gz QFFXENVDJQYWOW-QJUQNUTOSA-N 1 0 379.504 3.793 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001205693276 1033533232 /nfs/dbraw/zinc/53/32/32/1033533232.db2.gz SZOJEOBDORJLHZ-LJQANCHMSA-N 1 0 386.503 3.789 20 30 GHEDRO C[NH+](C)CCN(Cc1ccsc1Br)Cc1ccc(C#N)cc1 ZINC001205711048 1033542746 /nfs/dbraw/zinc/54/27/46/1033542746.db2.gz XKHQBJRQIGEWHL-UHFFFAOYSA-N 1 0 378.339 3.946 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157434385 1033586031 /nfs/dbraw/zinc/58/60/31/1033586031.db2.gz KTFNZLYJOLMCTL-IBGZPJMESA-N 1 0 391.519 3.696 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3cnc(OC)c(Cl)c3)CC2)C1=O ZINC001277409954 1033641446 /nfs/dbraw/zinc/64/14/46/1033641446.db2.gz CJQFWEKSWLHRSR-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@H]2C1 ZINC001157700795 1033730168 /nfs/dbraw/zinc/73/01/68/1033730168.db2.gz WQHFZHPUKXDSBL-TXEJJXNPSA-N 1 0 376.838 3.816 20 30 GHEDRO COC(=O)c1cc(Cl)c(C)cc1O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001229857693 1033757470 /nfs/dbraw/zinc/75/74/70/1033757470.db2.gz YPMHMFDDSQAFRP-KRWDZBQOSA-N 1 0 384.863 3.960 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)C[NH+](CC)CC ZINC001206195077 1033759773 /nfs/dbraw/zinc/75/97/73/1033759773.db2.gz WCGPIJLNIPZFIJ-CYBMUJFWSA-N 1 0 384.318 3.866 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC001206202826 1033762822 /nfs/dbraw/zinc/76/28/22/1033762822.db2.gz IZIRDTSMPSLGCP-UHFFFAOYSA-N 1 0 396.329 3.964 20 30 GHEDRO [NH3+][C@H](CC(=O)N1CC[C@@](CF)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC001157889098 1033811478 /nfs/dbraw/zinc/81/14/78/1033811478.db2.gz JGBFKHPUWVKJRP-OCCSQVGLSA-N 1 0 386.311 3.846 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000430145460 1033870620 /nfs/dbraw/zinc/87/06/20/1033870620.db2.gz GOOQAZGCUJMKFG-RBUKOAKNSA-N 1 0 384.863 3.609 20 30 GHEDRO O=C(c1ccc(C#CBr)cc1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158046932 1033882680 /nfs/dbraw/zinc/88/26/80/1033882680.db2.gz WRGZZPBKXHNJMP-FQEVSTJZSA-N 1 0 389.337 3.777 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@H]1CCC[N@H+](C)CC1 ZINC001230153104 1033919546 /nfs/dbraw/zinc/91/95/46/1033919546.db2.gz CAVJHAUWINPZGF-SSVWKNEZSA-N 1 0 397.471 3.866 20 30 GHEDRO COc1ccnc(N(c2nc(Cl)c(Cl)c(C)c2C#N)C2CC[NH2+]CC2)c1 ZINC001158321480 1034021027 /nfs/dbraw/zinc/02/10/27/1034021027.db2.gz ZEIQNKZDVXAEFN-UHFFFAOYSA-N 1 0 392.290 3.862 20 30 GHEDRO C=CCN(CC[NH+]1CCC2(CC[C@H](COC(C)=O)C2)CC1)C(=O)OC(C)(C)C ZINC001207204377 1034173316 /nfs/dbraw/zinc/17/33/16/1034173316.db2.gz KVRGFYJINFCEDN-IBGZPJMESA-N 1 0 394.556 3.855 20 30 GHEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001207243411 1034206173 /nfs/dbraw/zinc/20/61/73/1034206173.db2.gz LULYPSLARNMNJL-QRWLVFNGSA-N 1 0 381.907 3.706 20 30 GHEDRO C[C@]1(C[NH3+])CCCN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001158681624 1034229143 /nfs/dbraw/zinc/22/91/43/1034229143.db2.gz DLZOYNSCKWUMCE-GOSISDBHSA-N 1 0 391.853 3.779 20 30 GHEDRO CCOC(=O)CCc1ccc(O[C@@H]2CCN(Cc3ccccc3C#N)C2)cc1F ZINC001230970731 1034315837 /nfs/dbraw/zinc/31/58/37/1034315837.db2.gz JIYNEQSZVZKUTE-OAQYLSRUSA-N 1 0 396.462 3.846 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3ncc(C#N)cc3Cl)nc3ccc(C)cc3n12 ZINC001159131908 1034442098 /nfs/dbraw/zinc/44/20/98/1034442098.db2.gz ZTIYAVFVEUWZBK-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)C3)C2)c1 ZINC001207627093 1034496919 /nfs/dbraw/zinc/49/69/19/1034496919.db2.gz RCWUICVJFTXMLQ-OHCHIEETSA-N 1 0 377.532 3.689 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001207772658 1034569484 /nfs/dbraw/zinc/56/94/84/1034569484.db2.gz OZQBJLSAPKNYSV-HXUWFJFHSA-N 1 0 385.508 3.658 20 30 GHEDRO Cc1ccc(C#N)c(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC001159516432 1034633562 /nfs/dbraw/zinc/63/35/62/1034633562.db2.gz VYSLMXBHSSNXNL-HSZRJFAPSA-N 1 0 386.499 3.737 20 30 GHEDRO COC(=O)c1cccc(Br)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159585558 1034680515 /nfs/dbraw/zinc/68/05/15/1034680515.db2.gz YBNRNPYFQSGXQX-UHFFFAOYSA-N 1 0 386.249 3.538 20 30 GHEDRO COc1ccc(OC(F)(F)F)cc1Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001159742716 1034731192 /nfs/dbraw/zinc/73/11/92/1034731192.db2.gz KTPXQRNQQUOOSF-UHFFFAOYSA-N 1 0 392.381 3.619 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccccc1Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001159749006 1034732308 /nfs/dbraw/zinc/73/23/08/1034732308.db2.gz UYNAGQJFXWWLLC-UHFFFAOYSA-N 1 0 377.492 3.696 20 30 GHEDRO N#Cc1cc(Nc2cccc(CN3CC[NH2+]CC3)c2)c(Br)cc1F ZINC001159753463 1034732955 /nfs/dbraw/zinc/73/29/55/1034732955.db2.gz RRYZDXBZFFHPKQ-UHFFFAOYSA-N 1 0 389.272 3.609 20 30 GHEDRO [NH3+]Cc1cnccc1Nc1ccc(Cl)cc1[C@@](O)(C#CC1CC1)C(F)(F)F ZINC001159796413 1034745691 /nfs/dbraw/zinc/74/56/91/1034745691.db2.gz NZYOVBUIMKMCSR-SFHVURJKSA-N 1 0 395.812 3.523 20 30 GHEDRO C=C(C)[C@@H]1CC=C(CN2CC[N@@H+]3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)CC1 ZINC001208170672 1034771248 /nfs/dbraw/zinc/77/12/48/1034771248.db2.gz KJZNZLHXVONALQ-JRFVFWCSSA-N 1 0 381.564 3.968 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001231617345 1034774068 /nfs/dbraw/zinc/77/40/68/1034774068.db2.gz UEVIWAHJILYWTM-JOCHJYFZSA-N 1 0 385.508 3.932 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CN(CC4CC4)C(=O)[C@@H]3COC)CC2)CC1 ZINC001208175610 1034774450 /nfs/dbraw/zinc/77/44/50/1034774450.db2.gz WRHAQHNLGJXIRE-YADHBBJMSA-N 1 0 386.580 3.886 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001231617346 1034774564 /nfs/dbraw/zinc/77/45/64/1034774564.db2.gz UEVIWAHJILYWTM-QFIPXVFZSA-N 1 0 385.508 3.932 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001231618354 1034774959 /nfs/dbraw/zinc/77/49/59/1034774959.db2.gz GKXLLZNSDWKYRM-UHFFFAOYSA-N 1 0 395.528 3.757 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC001231618291 1034775219 /nfs/dbraw/zinc/77/52/19/1034775219.db2.gz FJUVZQMJXSIRLY-NSHGMRRFSA-N 1 0 383.536 3.862 20 30 GHEDRO COc1cc(C#N)ccc1CN1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001231619481 1034778252 /nfs/dbraw/zinc/77/82/52/1034778252.db2.gz XBTBKIBHIPQRAR-UHFFFAOYSA-N 1 0 394.519 3.802 20 30 GHEDRO Cc1ccc(C(=O)NCc2ccco2)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159935412 1034793106 /nfs/dbraw/zinc/79/31/06/1034793106.db2.gz ZDVGOTFWALFMQI-UHFFFAOYSA-N 1 0 386.455 3.820 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001159948003 1034796475 /nfs/dbraw/zinc/79/64/75/1034796475.db2.gz RLNFCUBBIJMHLN-ZDUSSCGKSA-N 1 0 394.862 3.543 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC001208214392 1034805413 /nfs/dbraw/zinc/80/54/13/1034805413.db2.gz JZIDEXXPVPJGMO-JPYJTQIMSA-N 1 0 384.520 3.627 20 30 GHEDRO N#Cc1ccc(F)c(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)c1 ZINC001159965600 1034806571 /nfs/dbraw/zinc/80/65/71/1034806571.db2.gz ZOHYDYSDTLINAH-UHFFFAOYSA-N 1 0 378.373 3.865 20 30 GHEDRO C#Cc1cccc(CN2CC[NH+](C3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC001231663392 1034818233 /nfs/dbraw/zinc/81/82/33/1034818233.db2.gz RBBDIEYWNMWEIK-UHFFFAOYSA-N 1 0 397.563 3.575 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC001208232360 1034820873 /nfs/dbraw/zinc/82/08/73/1034820873.db2.gz FNAHKSJRUDOADI-LJQANCHMSA-N 1 0 398.551 3.717 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC001231685579 1034835912 /nfs/dbraw/zinc/83/59/12/1034835912.db2.gz UUXUXLVMJDVNKB-UHFFFAOYSA-N 1 0 382.577 3.602 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3cnccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001160100409 1034859505 /nfs/dbraw/zinc/85/95/05/1034859505.db2.gz AJGSZRBVHUMOOT-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO N#CC1(Nc2nnc(Cl)c3cccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC001160100951 1034860361 /nfs/dbraw/zinc/86/03/61/1034860361.db2.gz XHVBXTAAYUHKMX-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO Cc1nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc(-c2ccncc2)n1 ZINC001160107537 1034863302 /nfs/dbraw/zinc/86/33/02/1034863302.db2.gz UTDOOXRIETZWEW-UHFFFAOYSA-N 1 0 384.487 3.817 20 30 GHEDRO N#CC1(Nc2ncnc3cccc([N+](=O)[O-])c32)CC[NH+](Cc2ccccc2)CC1 ZINC001160107043 1034863680 /nfs/dbraw/zinc/86/36/80/1034863680.db2.gz FSMCUZJEBYTPGA-UHFFFAOYSA-N 1 0 388.431 3.508 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccnc3OC(C)C)C2)CC1 ZINC001231755174 1034885473 /nfs/dbraw/zinc/88/54/73/1034885473.db2.gz QIZVDLQTRVCPLV-UHFFFAOYSA-N 1 0 387.524 3.869 20 30 GHEDRO COc1ccc(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208406167 1034886576 /nfs/dbraw/zinc/88/65/76/1034886576.db2.gz XYAMMKYUYPICCH-HKUYNNGSSA-N 1 0 392.503 3.989 20 30 GHEDRO N#Cc1cc(OC(F)(F)F)ccc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001160226315 1034908929 /nfs/dbraw/zinc/90/89/29/1034908929.db2.gz UOAWNCWXDVFTAA-UHFFFAOYSA-N 1 0 376.382 3.606 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1C)C2 ZINC001231798235 1034916148 /nfs/dbraw/zinc/91/61/48/1034916148.db2.gz SPKZRSTZTAAJJF-GMAHTHKFSA-N 1 0 379.504 3.778 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001231817322 1034926440 /nfs/dbraw/zinc/92/64/40/1034926440.db2.gz ZGMUGLFWIKIYMF-CTNGQTDRSA-N 1 0 398.551 3.868 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001231816376 1034926524 /nfs/dbraw/zinc/92/65/24/1034926524.db2.gz MYNSZQSDLKIKNK-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)cc1 ZINC001231818273 1034927621 /nfs/dbraw/zinc/92/76/21/1034927621.db2.gz WDYLQVXHOKOCRN-HNNXBMFYSA-N 1 0 393.413 3.818 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(N(C)CCC#N)cc1)[C@H]2C ZINC001231819863 1034928403 /nfs/dbraw/zinc/92/84/03/1034928403.db2.gz UAVAJOMPTDEECD-IBGZPJMESA-N 1 0 394.567 3.650 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)cc1 ZINC001231819990 1034928534 /nfs/dbraw/zinc/92/85/34/1034928534.db2.gz VNEZIQJFUFKJBA-JOCHJYFZSA-N 1 0 394.544 3.727 20 30 GHEDRO N#Cc1cc(Cl)c(Nc2ccc(N3CC[NH2+]CC3)nc2)cc1C(F)(F)F ZINC001160323792 1034940114 /nfs/dbraw/zinc/94/01/14/1034940114.db2.gz UUMJUGLPDHXEFF-UHFFFAOYSA-N 1 0 381.789 3.779 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)C[C@@H]([NH3+])CSc3ccccc3)CC2)cc1 ZINC001160566480 1035003862 /nfs/dbraw/zinc/00/38/62/1035003862.db2.gz RBLGMCVECZSSNJ-OAQYLSRUSA-N 1 0 393.556 3.849 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N[C@H](c3ccccc3O)[C@H]([NH3+])c3ccccc3O)c1-2 ZINC001160624031 1035018640 /nfs/dbraw/zinc/01/86/40/1035018640.db2.gz MUYFPCBNSMOYQZ-NHCUHLMSSA-N 1 0 385.427 3.699 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc(F)cc3C)C[C@@H]2c2ccccc2)C1=O ZINC001231981723 1035021108 /nfs/dbraw/zinc/02/11/08/1035021108.db2.gz LWAAOANBRDEPRJ-OFNKIYASSA-N 1 0 379.479 3.533 20 30 GHEDRO N#Cc1cc2c(nc1N[C@H]1C3c4ccccc4C(c4ccccc43)[C@@H]1[NH3+])CCC2 ZINC001160634661 1035021885 /nfs/dbraw/zinc/02/18/85/1035021885.db2.gz JBRVWIVXVVVOPX-MXXWWZHRSA-N 1 0 378.479 3.841 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)cc1Cl ZINC001277596601 1035027381 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C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2c2ccccc2)C1=O ZINC001232842486 1038593573 /nfs/dbraw/zinc/59/35/73/1038593573.db2.gz GSZZWSYDOZXPLZ-IRLDBZIGSA-N 1 0 377.513 3.624 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cc(Br)co3)C2)C1 ZINC001232849824 1038597029 /nfs/dbraw/zinc/59/70/29/1038597029.db2.gz GYEJBPMAYZEZMB-KRWDZBQOSA-N 1 0 383.286 3.653 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cc(F)ccc1C#N)CC2 ZINC001232890839 1038679963 /nfs/dbraw/zinc/67/99/63/1038679963.db2.gz BFGKMNCMUVHPSK-HSZRJFAPSA-N 1 0 393.506 3.953 20 30 GHEDRO C[N@H+](Cc1ccc(Br)c(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232896028 1038690016 /nfs/dbraw/zinc/69/00/16/1038690016.db2.gz YSUJSNDSVIYEMZ-HNNXBMFYSA-N 1 0 394.313 3.762 20 30 GHEDRO N#Cc1cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)ccc1Br ZINC001232899167 1038696312 /nfs/dbraw/zinc/69/63/12/1038696312.db2.gz NRIRHMYJWVQHNL-OALUTQOASA-N 1 0 382.305 3.779 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OC(F)F)nc3)C2)CC1 ZINC001232952113 1038729814 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20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CC1CCN(C(=O)c2cccnc2)CC1 ZINC001252138822 1038889641 /nfs/dbraw/zinc/88/96/41/1038889641.db2.gz GIBZPJOOAGQFFW-NRFANRHFSA-N 1 0 375.557 3.635 20 30 GHEDRO CCCC1CC[NH+](C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001252322192 1038941698 /nfs/dbraw/zinc/94/16/98/1038941698.db2.gz XGQUPLYHDCRIEI-IBGZPJMESA-N 1 0 397.441 3.779 20 30 GHEDRO CCC[N@H+](CC(C)C)C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252325084 1038942340 /nfs/dbraw/zinc/94/23/40/1038942340.db2.gz RFYGMTWNOJOQKC-GOSISDBHSA-N 1 0 385.430 3.635 20 30 GHEDRO CC(C)(C[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CC1CC1 ZINC001252339238 1038946468 /nfs/dbraw/zinc/94/64/68/1038946468.db2.gz YLXULKUCPZMLDX-IBGZPJMESA-N 1 0 397.441 3.682 20 30 GHEDRO C[C@](O)(C[NH2+][C@H]1CCCC12CCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252344595 1038948510 /nfs/dbraw/zinc/94/85/10/1038948510.db2.gz GNMXPUDBJSLBIP-WMZOPIPTSA-N 1 0 395.425 3.579 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C)c(O)c3)C[C@@H]2c2ccccc2)C1=O ZINC001233230611 1038992042 /nfs/dbraw/zinc/99/20/42/1038992042.db2.gz ADKDGFWWQKNNGL-QPPBQGQZSA-N 1 0 376.500 3.705 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1=O ZINC001233241494 1038998936 /nfs/dbraw/zinc/99/89/36/1038998936.db2.gz VKTOOFXPEUWLPK-OAQYLSRUSA-N 1 0 385.508 3.950 20 30 GHEDRO C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001252551898 1039029353 /nfs/dbraw/zinc/02/93/53/1039029353.db2.gz YLWQSWQKTKTLPS-PTUXOGIPSA-N 1 0 386.536 3.650 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252621446 1039051663 /nfs/dbraw/zinc/05/16/63/1039051663.db2.gz CAGWLTUFYFCOKU-HXUWFJFHSA-N 1 0 388.552 3.916 20 30 GHEDRO N#Cc1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001252938858 1039282545 /nfs/dbraw/zinc/28/25/45/1039282545.db2.gz ZDYRTZHZTKIOOL-LJQANCHMSA-N 1 0 391.393 3.506 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001252984008 1039313204 /nfs/dbraw/zinc/31/32/04/1039313204.db2.gz BZOGOYOTLSQICI-YSFYHYPLSA-N 1 0 394.600 3.636 20 30 GHEDRO COc1cc(OC2CC[NH+](C(C)(C)C)CC2)c2c(c1)C(=O)C=C(Cl)C2=O ZINC001233517578 1039405118 /nfs/dbraw/zinc/40/51/18/1039405118.db2.gz HJJNKWXQMLVVHH-UHFFFAOYSA-N 1 0 377.868 3.839 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001253238582 1039495246 /nfs/dbraw/zinc/49/52/46/1039495246.db2.gz GELPLIGJSQAXKB-IPJJNNNSSA-N 1 0 392.515 3.720 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCN(c2cccc(OCCOC)c2)CC1 ZINC001253240526 1039498127 /nfs/dbraw/zinc/49/81/27/1039498127.db2.gz NBUJQGUVVBUUCP-JOCHJYFZSA-N 1 0 390.568 3.721 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1csc(C)n1 ZINC001253240083 1039498608 /nfs/dbraw/zinc/49/86/08/1039498608.db2.gz YQGJKEAQONDTCX-HSALFYBXSA-N 1 0 391.581 3.514 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cc1F ZINC001233741530 1039582145 /nfs/dbraw/zinc/58/21/45/1039582145.db2.gz QEIGGOFSRHBUJO-GQWLDOHISA-N 1 0 399.897 3.973 20 30 GHEDRO CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[NH+]1CCN(CCC#N)CC1 ZINC001253496362 1039678360 /nfs/dbraw/zinc/67/83/60/1039678360.db2.gz URMVZBVNXSAGGQ-OAQYLSRUSA-N 1 0 377.960 3.581 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1C[C@H](CO)C1 ZINC001253613808 1039721687 /nfs/dbraw/zinc/72/16/87/1039721687.db2.gz FEUSCWBMSOQUKZ-FKBYEOEOSA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001253614042 1039723931 /nfs/dbraw/zinc/72/39/31/1039723931.db2.gz HNBDONNIPLJPLY-FCHUYYIVSA-N 1 0 387.605 3.928 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H](O)CC ZINC001253614883 1039724949 /nfs/dbraw/zinc/72/49/49/1039724949.db2.gz WXKYBOHPDMOZIG-NHCUHLMSSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1nccn1C ZINC001253616286 1039726878 /nfs/dbraw/zinc/72/68/78/1039726878.db2.gz RIYDEYNYFURSNI-OAQYLSRUSA-N 1 0 397.604 3.825 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914545 1039897000 /nfs/dbraw/zinc/89/70/00/1039897000.db2.gz HOOSOXRLBMVTLC-XPGWFJOJSA-N 1 0 380.483 3.845 20 30 GHEDRO COc1cc(O[C@@H]2CCC[N@H+](C)C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001234175531 1039909451 /nfs/dbraw/zinc/90/94/51/1039909451.db2.gz HKWRPWGSTUTJDD-GANRHZMWSA-N 1 0 395.455 3.533 20 30 GHEDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)c(Br)c3)C2)C1=O ZINC001277867862 1040153283 /nfs/dbraw/zinc/15/32/83/1040153283.db2.gz QQTWORIHZRHYCF-AUUYWEPGSA-N 1 0 390.325 3.544 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(N(Cc2ccccc2)C2(C[NH3+])COC2)CC1 ZINC001254345388 1040178096 /nfs/dbraw/zinc/17/80/96/1040178096.db2.gz ZWBZRALIPWZZOH-UHFFFAOYSA-N 1 0 393.506 3.760 20 30 GHEDRO CC(C)(C)[C@@H](CN1C(=O)CCC1=O)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254350951 1040182827 /nfs/dbraw/zinc/18/28/27/1040182827.db2.gz CIWKUULPMVGGLW-FVRICEFQSA-N 1 0 399.510 3.683 20 30 GHEDRO CC(C)(C)[C@H](CN1C(=O)CCC1=O)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254350958 1040183082 /nfs/dbraw/zinc/18/30/82/1040183082.db2.gz CIWKUULPMVGGLW-KPRXVCGWSA-N 1 0 399.510 3.683 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(c3ccc(Cl)nn3)CC2)CC1 ZINC001254358460 1040191207 /nfs/dbraw/zinc/19/12/07/1040191207.db2.gz COWGBMLDIDMFNZ-UHFFFAOYSA-N 1 0 399.901 3.795 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N[C@H]1CCC[N@@H+](C)CC1 ZINC001254514558 1040289519 /nfs/dbraw/zinc/28/95/19/1040289519.db2.gz MJSRKEFZLOHGSR-PZJWPPBQSA-N 1 0 388.552 3.578 20 30 GHEDRO C=CCO[C@H]1CCN(CC(=O)N[C@@H](c2cccs2)c2ccc(CC)cc2)C1 ZINC001254559303 1040330799 /nfs/dbraw/zinc/33/07/99/1040330799.db2.gz ZHYUEGPDAJPVPO-SIKLNZKXSA-N 1 0 384.545 3.793 20 30 GHEDRO C=CC[C@@H](C)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC001234818142 1040347225 /nfs/dbraw/zinc/34/72/25/1040347225.db2.gz UNVZKBVWSQCDJW-RBBFAFJASA-N 1 0 397.515 3.656 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254645966 1040416704 /nfs/dbraw/zinc/41/67/04/1040416704.db2.gz ILTHQLUDNIHQEG-PKOBYXMFSA-N 1 0 384.524 3.526 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)c2ccc(O[C@@H](CC#N)c3ccccc3)cc2)CC1 ZINC001234903768 1040418277 /nfs/dbraw/zinc/41/82/77/1040418277.db2.gz MXTOELYKHBCTNY-QFIPXVFZSA-N 1 0 377.488 3.887 20 30 GHEDRO Cn1cnc2c1cc(C1CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC1)nc2-c1cccnc1 ZINC001254659280 1040423543 /nfs/dbraw/zinc/42/35/43/1040423543.db2.gz NFGOOUIWQNTVRI-VQIMIIECSA-N 1 0 386.503 3.902 20 30 GHEDRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)Oc2ccccc21 ZINC001254662214 1040424994 /nfs/dbraw/zinc/42/49/94/1040424994.db2.gz DBLWEQRDXKBJMM-GUDVDZBRSA-N 1 0 381.520 3.558 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCC[C@H](C(=O)OCC)C3)CC2)C1 ZINC001255358281 1040960547 /nfs/dbraw/zinc/96/05/47/1040960547.db2.gz UGWFUSVPWYPRDQ-RBUKOAKNSA-N 1 0 392.540 3.609 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 ZINC001235512738 1040969596 /nfs/dbraw/zinc/96/95/96/1040969596.db2.gz UWLWBTVETDQOKY-QFIPXVFZSA-N 1 0 375.472 3.911 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCC2CCOCC2)C1 ZINC001235516990 1040971430 /nfs/dbraw/zinc/97/14/30/1040971430.db2.gz IFXWWYIVGCCYGO-BJKOFHAPSA-N 1 0 398.547 3.567 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccsc3)C2)CC1 ZINC001235516897 1040971441 /nfs/dbraw/zinc/97/14/41/1040971441.db2.gz VGJCASUQFCMFOK-UHFFFAOYSA-N 1 0 379.529 3.942 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001235516095 1040971768 /nfs/dbraw/zinc/97/17/68/1040971768.db2.gz YZUPCXYURMSKDQ-NRFANRHFSA-N 1 0 382.458 3.885 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001235518931 1040973228 /nfs/dbraw/zinc/97/32/28/1040973228.db2.gz PBNGALOSLAPCQK-BJKOFHAPSA-N 1 0 391.515 3.736 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001235560077 1040988117 /nfs/dbraw/zinc/98/81/17/1040988117.db2.gz HKMUJKNVVHGBLM-UHFFFAOYSA-N 1 0 393.506 3.634 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cc1F ZINC001462514871 1070317984 /nfs/dbraw/zinc/31/79/84/1070317984.db2.gz HBTPSGSIMSUFQC-MRXNPFEDSA-N 1 0 385.458 3.846 20 30 GHEDRO N#Cc1cc(F)c(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654279 1041097650 /nfs/dbraw/zinc/09/76/50/1041097650.db2.gz NYAYMQSBLCAPHZ-IFMALSPDSA-N 1 0 399.441 3.682 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(-c2cnn(CCC[NH+](C)C)c2)c1C#N ZINC001236149301 1041571301 /nfs/dbraw/zinc/57/13/01/1041571301.db2.gz MBYFYIJQQWRJTE-UHFFFAOYSA-N 1 0 378.505 3.552 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001256300099 1041691642 /nfs/dbraw/zinc/69/16/42/1041691642.db2.gz NYKNGCXNQSJXIQ-FQEVSTJZSA-N 1 0 397.950 3.804 20 30 GHEDRO CN(CCC#N)c1ccc(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236394370 1041698181 /nfs/dbraw/zinc/69/81/81/1041698181.db2.gz YKIHHKHRSKHVFM-QHCPKHFHSA-N 1 0 380.511 3.930 20 30 GHEDRO CCc1cc(CN(Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)ccc1C#N ZINC001236466046 1041728333 /nfs/dbraw/zinc/72/83/33/1041728333.db2.gz DFFGMAPZSXUWQY-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1I ZINC001236641415 1041799322 /nfs/dbraw/zinc/79/93/22/1041799322.db2.gz PIOQYIJNONXLMX-UHFFFAOYSA-N 1 0 392.240 3.803 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3sc(Br)cc3C)C2)C1=O ZINC001236823175 1041917371 /nfs/dbraw/zinc/91/73/71/1041917371.db2.gz GVWBONJSDZJUHL-KRWDZBQOSA-N 1 0 383.355 3.820 20 30 GHEDRO CC(C)OCC[NH+](CCOC(C)C)Cc1ccc(C#N)c(Br)c1 ZINC001236864786 1041933599 /nfs/dbraw/zinc/93/35/99/1041933599.db2.gz VGCGNDIYLWVDKY-UHFFFAOYSA-N 1 0 383.330 3.973 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)c(Cl)c1)C2 ZINC001236909941 1041952579 /nfs/dbraw/zinc/95/25/79/1041952579.db2.gz VJOKPJYCOAIREK-GHTZIAJQSA-N 1 0 387.911 3.852 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237113132 1042045634 /nfs/dbraw/zinc/04/56/34/1042045634.db2.gz SCZABOCJYOTUSP-IBGZPJMESA-N 1 0 398.425 3.824 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237136996 1042059107 /nfs/dbraw/zinc/05/91/07/1042059107.db2.gz YWSKWZCKNKDCOA-LJQANCHMSA-N 1 0 382.426 3.944 20 30 GHEDRO N#Cc1ccc(CN2Cc3ccccc3C23CC[NH2+]CC3)c(Br)c1 ZINC001237306071 1042136105 /nfs/dbraw/zinc/13/61/05/1042136105.db2.gz ZQHVVITUEFBWLO-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC001237422960 1042201029 /nfs/dbraw/zinc/20/10/29/1042201029.db2.gz MZFNQPJVYZWMEV-QFIPXVFZSA-N 1 0 383.467 3.984 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237466666 1042219849 /nfs/dbraw/zinc/21/98/49/1042219849.db2.gz OARIFDZLUGFWSZ-MRXNPFEDSA-N 1 0 382.508 3.739 20 30 GHEDRO Cn1cc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c2cc(C#N)ccc21 ZINC001237468104 1042221409 /nfs/dbraw/zinc/22/14/09/1042221409.db2.gz LFPKCVWBWCZKBV-UHFFFAOYSA-N 1 0 385.471 3.942 20 30 GHEDRO Cn1cc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c2cc(C#N)ccc21 ZINC001237472047 1042223146 /nfs/dbraw/zinc/22/31/46/1042223146.db2.gz BYCJXRVTPWWFET-UHFFFAOYSA-N 1 0 390.462 3.583 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c2cc(C#N)ccc21 ZINC001237473118 1042223550 /nfs/dbraw/zinc/22/35/50/1042223550.db2.gz FJZIQYNEJIBDMT-SFHVURJKSA-N 1 0 382.508 3.929 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C[C@@H]1NC(=O)OC(C)(C)C ZINC001237473126 1042223862 /nfs/dbraw/zinc/22/38/62/1042223862.db2.gz SRKLLNZJTUACCX-BEFAXECRSA-N 1 0 382.508 3.785 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Br)c(C)cc1O)CC2 ZINC001237678549 1042319893 /nfs/dbraw/zinc/31/98/93/1042319893.db2.gz ABGYRIANMGGJKR-UHFFFAOYSA-N 1 0 393.325 3.606 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)c(C)cc1O)C2 ZINC001237678773 1042320406 /nfs/dbraw/zinc/32/04/06/1042320406.db2.gz MCGQJZKOZHQSNN-APWZRJJASA-N 1 0 396.325 3.789 20 30 GHEDRO COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)c2)cc1 ZINC001237811981 1042381100 /nfs/dbraw/zinc/38/11/00/1042381100.db2.gz RKHJYSODXOIMOL-HXUWFJFHSA-N 1 0 379.481 3.914 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1cccc(F)c1N1CCC([NH3+])CC1 ZINC001237863748 1042400190 /nfs/dbraw/zinc/40/01/90/1042400190.db2.gz HUIAUVIGEJTLCD-UHFFFAOYSA-N 1 0 385.549 3.855 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(N3CCCCC3)n1)C2 ZINC001238001640 1042453019 /nfs/dbraw/zinc/45/30/19/1042453019.db2.gz OQVVDDVDEQPPEY-FYYLOGMGSA-N 1 0 385.552 3.646 20 30 GHEDRO CCOc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1C ZINC001238079807 1042483922 /nfs/dbraw/zinc/48/39/22/1042483922.db2.gz LDMZJIFBDUSKGG-DEOSSOPVSA-N 1 0 389.499 3.894 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC001238082923 1042486000 /nfs/dbraw/zinc/48/60/00/1042486000.db2.gz NFOTVJFSIJPSKV-PKTZIBPZSA-N 1 0 395.934 3.729 20 30 GHEDRO N#Cc1cc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001238191591 1042514699 /nfs/dbraw/zinc/51/46/99/1042514699.db2.gz SWHCSUDRZJRRAM-AZUAARDMSA-N 1 0 385.870 3.688 20 30 GHEDRO COc1cc(C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)ccc1C#N ZINC001238407835 1042586902 /nfs/dbraw/zinc/58/69/02/1042586902.db2.gz RKAXBNUVXDHNOY-UHFFFAOYSA-N 1 0 376.460 3.579 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cncc(OC(C)C)c3)C2)CC1 ZINC001238461656 1042603815 /nfs/dbraw/zinc/60/38/15/1042603815.db2.gz JGPLRYJBWXOIIF-UHFFFAOYSA-N 1 0 387.524 3.869 20 30 GHEDRO CCOc1ccc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001238716097 1042699261 /nfs/dbraw/zinc/69/92/61/1042699261.db2.gz FSMDYUAABIHCAY-XMMPIXPASA-N 1 0 389.499 3.894 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)ccc1C#N ZINC001238761931 1042718501 /nfs/dbraw/zinc/71/85/01/1042718501.db2.gz IMTLFMGWCPZVHZ-NRFANRHFSA-N 1 0 397.473 3.648 20 30 GHEDRO Cc1cc(Br)ccc1NC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001239181286 1042781145 /nfs/dbraw/zinc/78/11/45/1042781145.db2.gz CLZXDPHQVWFQSC-UHFFFAOYSA-N 1 0 391.294 3.980 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC001239182914 1042781772 /nfs/dbraw/zinc/78/17/72/1042781772.db2.gz UFWVHYAWDHBHSK-UHFFFAOYSA-N 1 0 379.508 3.581 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccnc2O[C@@H]2CC[NH2+]C2)c1 ZINC001239186170 1042782344 /nfs/dbraw/zinc/78/23/44/1042782344.db2.gz FYZUHHQQJNDYMO-GOSISDBHSA-N 1 0 380.492 3.912 20 30 GHEDRO O=C(NC[C@H]1C[NH2+]CC[C@H]1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239228498 1042790805 /nfs/dbraw/zinc/79/08/05/1042790805.db2.gz XZUGTKKMOPVSAR-PRHODGIISA-N 1 0 387.299 3.793 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001239308052 1042806426 /nfs/dbraw/zinc/80/64/26/1042806426.db2.gz JBPJNQLITQRPBO-KNQAVFIVSA-N 1 0 395.588 3.844 20 30 GHEDRO C[NH2+]Cc1cccc(CNC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC001239379793 1042816836 /nfs/dbraw/zinc/81/68/36/1042816836.db2.gz BNQAHLRILYZFGX-UHFFFAOYSA-N 1 0 378.423 3.783 20 30 GHEDRO [NH3+][C@@H]1C[C@H](F)CN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001239417015 1042824351 /nfs/dbraw/zinc/82/43/51/1042824351.db2.gz WLOIUWNZDMEGBH-VHSXEESVSA-N 1 0 389.340 3.792 20 30 GHEDRO N#CC1(c2cccnc2-c2cccc(C(N)=O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001239880991 1042855640 /nfs/dbraw/zinc/85/56/40/1042855640.db2.gz XOCRFYFPFWSEBF-UHFFFAOYSA-N 1 0 396.494 3.905 20 30 GHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240050121 1042876195 /nfs/dbraw/zinc/87/61/95/1042876195.db2.gz NHMZDXLFQCMJAO-GOSISDBHSA-N 1 0 386.455 3.673 20 30 GHEDRO N#Cc1c(C#N)c(-c2cccc(CN3CC[NH2+]CC3)c2)nc2c1CCCCCC2 ZINC001240237991 1042911860 /nfs/dbraw/zinc/91/18/60/1042911860.db2.gz KPHLDPSLQGARMV-UHFFFAOYSA-N 1 0 385.515 3.556 20 30 GHEDRO CCOC(=O)c1cnc(-c2cccs2)nc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240337404 1042921877 /nfs/dbraw/zinc/92/18/77/1042921877.db2.gz HEDNCDWPRGTECJ-UHFFFAOYSA-N 1 0 390.468 3.607 20 30 GHEDRO C[C@@H]1CC[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCCC1 ZINC001291046370 1043052517 /nfs/dbraw/zinc/05/25/17/1043052517.db2.gz PUXBGAZRGBTLJM-RBUKOAKNSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291110196 1043084304 /nfs/dbraw/zinc/08/43/04/1043084304.db2.gz ZIWTUGCXCHJWGI-FGSXEWAUSA-N 1 0 386.588 3.826 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC001291908896 1043525988 /nfs/dbraw/zinc/52/59/88/1043525988.db2.gz IAEGWUIJPAFIKG-UHFFFAOYSA-N 1 0 378.314 3.515 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H]1C)[NH+]1CCCC1 ZINC001292185996 1043618782 /nfs/dbraw/zinc/61/87/82/1043618782.db2.gz SNSDCGDQFFLNFH-BBTUJRGHSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001462752822 1070523053 /nfs/dbraw/zinc/52/30/53/1070523053.db2.gz MKOZUEYAOQIILS-UHFFFAOYSA-N 1 0 399.560 3.637 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001292488253 1043758581 /nfs/dbraw/zinc/75/85/81/1043758581.db2.gz JSSPZYUFQOJTJA-UHFFFAOYSA-N 1 0 392.551 3.733 20 30 GHEDRO C[NH+]1CCC(C#N)(N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)CC1 ZINC001256960474 1043774520 /nfs/dbraw/zinc/77/45/20/1043774520.db2.gz OYHFHXYDRZYBFC-UXHICEINSA-N 1 0 398.551 3.705 20 30 GHEDRO N#CC1CCC([NH2+]C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001256962792 1043774837 /nfs/dbraw/zinc/77/48/37/1043774837.db2.gz YOQFUNWDZVXFOS-UHFFFAOYSA-N 1 0 379.426 3.982 20 30 GHEDRO CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C1CCC(C#N)CC1 ZINC001256971982 1043778053 /nfs/dbraw/zinc/77/80/53/1043778053.db2.gz PSNLVLCYTZEMIE-GXOAENINSA-N 1 0 386.492 3.639 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCC(CC(=O)OC)CC1)[C@@H]2CC ZINC001256984899 1043785085 /nfs/dbraw/zinc/78/50/85/1043785085.db2.gz WMXPSIOYGIENPF-OKYOFGHESA-N 1 0 376.541 3.530 20 30 GHEDRO CS(=O)(=O)N(c1ccc(C[NH3+])cc1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257010345 1043798231 /nfs/dbraw/zinc/79/82/31/1043798231.db2.gz ZIEMDVZNLSTJHJ-UHFFFAOYSA-N 1 0 383.517 3.509 20 30 GHEDRO N#Cc1ccc(C2CCC(n3cc(C[C@H]([NH3+])C(N)=O)c4ccccc43)CC2)cc1 ZINC001257010949 1043798718 /nfs/dbraw/zinc/79/87/18/1043798718.db2.gz NQNXXKGLCOFDLK-ZNIKRAEXSA-N 1 0 386.499 3.767 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016385 1043800526 /nfs/dbraw/zinc/80/05/26/1043800526.db2.gz BTNPKFQOSLYKQE-GOLJUSPKSA-N 1 0 399.535 3.544 20 30 GHEDRO N#Cc1ccc(C2CCC([N@H+]3C[C@H]4CN(C(=O)c5ccco5)C[C@H]4C3)CC2)cc1 ZINC001257019370 1043804063 /nfs/dbraw/zinc/80/40/63/1043804063.db2.gz IXYIUPJFQPSNSK-KJMNDRGOSA-N 1 0 389.499 3.881 20 30 GHEDRO COC(=O)c1cnc2c(c1)C[N@H+](C1CCC(c3ccc(C#N)cc3)CC1)CC2 ZINC001257022704 1043806578 /nfs/dbraw/zinc/80/65/78/1043806578.db2.gz QGEDPEGWWVXSJF-UHFFFAOYSA-N 1 0 375.472 3.824 20 30 GHEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H](NC(=O)c4cccnc4)C3)CC2)cc1 ZINC001257022133 1043807007 /nfs/dbraw/zinc/80/70/07/1043807007.db2.gz GYIYTTSBEXKFRF-GTMAMOSYSA-N 1 0 388.515 3.874 20 30 GHEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H](NC(=O)N4CCCC4)C3)CC2)cc1 ZINC001257022171 1043807269 /nfs/dbraw/zinc/80/72/69/1043807269.db2.gz HVNQIDZKIOIMCJ-ATKRNPRHSA-N 1 0 380.536 3.854 20 30 GHEDRO COc1ccc(N2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)nc1 ZINC001257022612 1043808042 /nfs/dbraw/zinc/80/80/42/1043808042.db2.gz OBWQDQSCFUZARF-UHFFFAOYSA-N 1 0 376.504 3.810 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)c(F)c1 ZINC001292921636 1043947526 /nfs/dbraw/zinc/94/75/26/1043947526.db2.gz NZVDDCPMPCYKMB-UHFFFAOYSA-N 1 0 377.423 3.812 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)C(C)C ZINC001292957321 1043964608 /nfs/dbraw/zinc/96/46/08/1043964608.db2.gz FXDQPOHYOJGRRY-HXUWFJFHSA-N 1 0 395.503 3.705 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccn(-c2ccc(F)cc2F)n1)C(C)C ZINC001292957680 1043965477 /nfs/dbraw/zinc/96/54/77/1043965477.db2.gz NRQWJVBRPFDCIR-HXUWFJFHSA-N 1 0 388.462 3.579 20 30 GHEDRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001293301941 1044099302 /nfs/dbraw/zinc/09/93/02/1044099302.db2.gz IEAZAGRQFOXTLA-SQGPQFPESA-N 1 0 392.551 3.924 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CCC([NH2+]CCOc1ccccc1C#N)CC2 ZINC001257753923 1044142746 /nfs/dbraw/zinc/14/27/46/1044142746.db2.gz HQTZZDWGARAEDG-UHFFFAOYSA-N 1 0 385.508 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+]Cc1ncc(C#N)s1)C2 ZINC001257808998 1044190182 /nfs/dbraw/zinc/19/01/82/1044190182.db2.gz YNTFJPLLUGHQGN-IFXJQAMLSA-N 1 0 376.526 3.674 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3CO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H](C1)C2 ZINC001257886525 1044244702 /nfs/dbraw/zinc/24/47/02/1044244702.db2.gz IEZYEYUAUQEQEP-LPWBHITCSA-N 1 0 376.541 3.879 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)C[C@@H](NC(=O)N3CCCC3)CCO4)C[C@H](C1)C2 ZINC001257890796 1044245763 /nfs/dbraw/zinc/24/57/63/1044245763.db2.gz AIHPKBUWYLWLRX-IEHHRWIQSA-N 1 0 387.568 3.550 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CC3)C(=O)NCN4c3ccc(F)cc3)C[C@H](C1)C2 ZINC001257895656 1044249988 /nfs/dbraw/zinc/24/99/88/1044249988.db2.gz WTQRNNWMCSVFPR-HTZLVSCSSA-N 1 0 383.511 3.689 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001258394327 1044532040 /nfs/dbraw/zinc/53/20/40/1044532040.db2.gz KECFLAJORNSJEZ-SFHVURJKSA-N 1 0 391.515 3.782 20 30 GHEDRO CC1(C)COC2(CCC([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)CC2)OC1 ZINC001258518292 1044596441 /nfs/dbraw/zinc/59/64/41/1044596441.db2.gz GWZDXZQNVHRTRW-UHFFFAOYSA-N 1 0 397.563 3.824 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCN(c3ccccc3Cl)CC1)C2 ZINC001258536477 1044613867 /nfs/dbraw/zinc/61/38/67/1044613867.db2.gz RPUHFJAZBTYIJN-IBGZPJMESA-N 1 0 397.950 3.804 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001258714154 1044732362 /nfs/dbraw/zinc/73/23/62/1044732362.db2.gz KEWGTJNQZRLDDE-FCHUYYIVSA-N 1 0 382.589 3.711 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001295366513 1044990205 /nfs/dbraw/zinc/99/02/05/1044990205.db2.gz ULYFKZLWRFASHT-KZNAEPCWSA-N 1 0 380.540 3.782 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](C#N)CCc3ccccc3)cc2)CC1 ZINC001295769064 1045132317 /nfs/dbraw/zinc/13/23/17/1045132317.db2.gz OCGJVDJOBLKAHT-HXUWFJFHSA-N 1 0 390.531 3.928 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC001462910557 1070654025 /nfs/dbraw/zinc/65/40/25/1070654025.db2.gz HZCUJRUSONGZIK-GHTZIAJQSA-N 1 0 384.545 3.919 20 30 GHEDRO C[NH+](C)C1(Cn2c(CC3CCCC3)nnc2N2CCC(C#N)CC2)CCCC1 ZINC001298049346 1045686339 /nfs/dbraw/zinc/68/63/39/1045686339.db2.gz AKASNNZQUGMVTB-UHFFFAOYSA-N 1 0 384.572 3.625 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001300901449 1046232493 /nfs/dbraw/zinc/23/24/93/1046232493.db2.gz ZEALDCOCWJUFPC-UHFFFAOYSA-N 1 0 399.583 3.967 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001300935227 1046250145 /nfs/dbraw/zinc/25/01/45/1046250145.db2.gz NSPJGUHEHGXJOQ-UHFFFAOYSA-N 1 0 395.551 3.985 20 30 GHEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300944132 1046253949 /nfs/dbraw/zinc/25/39/49/1046253949.db2.gz INMLHHTURIRYRU-UHFFFAOYSA-N 1 0 392.551 3.791 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC001301038024 1046302237 /nfs/dbraw/zinc/30/22/37/1046302237.db2.gz HJGQGADXDUBBPO-RDELFYGPSA-N 1 0 384.520 3.796 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001301078112 1046323057 /nfs/dbraw/zinc/32/30/57/1046323057.db2.gz LAKMPCHNPIIUCE-GOSISDBHSA-N 1 0 394.548 3.861 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001301085700 1046329350 /nfs/dbraw/zinc/32/93/50/1046329350.db2.gz PFROQFRXBICIDS-UXHICEINSA-N 1 0 387.572 3.798 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001262944749 1046441777 /nfs/dbraw/zinc/44/17/77/1046441777.db2.gz WPKRNBXANACJBR-PMACEKPBSA-N 1 0 392.551 3.830 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CC1)[NH+](C)C ZINC001301280359 1046450418 /nfs/dbraw/zinc/45/04/18/1046450418.db2.gz ISXQBWJVMIRXII-KRWDZBQOSA-N 1 0 389.931 3.570 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCC[NH+]1CCCC1 ZINC001301309921 1046472026 /nfs/dbraw/zinc/47/20/26/1046472026.db2.gz IORNZUFBRNCJAJ-UHFFFAOYSA-N 1 0 385.581 3.987 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1ccccc1C ZINC001262995840 1046479651 /nfs/dbraw/zinc/47/96/51/1046479651.db2.gz PKGOIZZMEHIHHS-OAQYLSRUSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC[N@@H+](C)C(C)C ZINC001301346356 1046503487 /nfs/dbraw/zinc/50/34/87/1046503487.db2.gz AZJZMJMKGSBCMY-UHFFFAOYSA-N 1 0 390.535 3.873 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001301350535 1046506650 /nfs/dbraw/zinc/50/66/50/1046506650.db2.gz ZLRNIIOOPPQSIX-LEWJYISDSA-N 1 0 395.551 3.662 20 30 GHEDRO CCn1c([C@H](C)Cc2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263019076 1046507364 /nfs/dbraw/zinc/50/73/64/1046507364.db2.gz ZXIXDKHDRFICQD-WIYYLYMNSA-N 1 0 394.567 3.684 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC=C(C)C1)C(C)C ZINC001301366372 1046511276 /nfs/dbraw/zinc/51/12/76/1046511276.db2.gz BHNKSIGLJOJGRO-RTWAWAEBSA-N 1 0 399.583 3.637 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCCC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301390552 1046521472 /nfs/dbraw/zinc/52/14/72/1046521472.db2.gz JRJQKEBYKHGMOU-KDURUIRLSA-N 1 0 387.572 3.613 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C12CCC2 ZINC001301546939 1046590678 /nfs/dbraw/zinc/59/06/78/1046590678.db2.gz KSGSXKKUOSZUHY-YADHBBJMSA-N 1 0 389.499 3.740 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)[C@H](C)CC)C1 ZINC001301547246 1046591628 /nfs/dbraw/zinc/59/16/28/1046591628.db2.gz XVUZVBUAEHYPGC-WOJBJXKFSA-N 1 0 397.567 3.765 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001301554577 1046594533 /nfs/dbraw/zinc/59/45/33/1046594533.db2.gz IOEMMAULERHMOU-VQTJNVASSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001263278895 1046672813 /nfs/dbraw/zinc/67/28/13/1046672813.db2.gz SVFZMGOYPASYLS-PZJWPPBQSA-N 1 0 399.583 3.797 20 30 GHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001301839419 1046726931 /nfs/dbraw/zinc/72/69/31/1046726931.db2.gz HZXKGVFRNAVVJM-UHFFFAOYSA-N 1 0 375.472 3.956 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2)n1CC[N@H+](C)C1CCCCC1 ZINC001301958322 1046760538 /nfs/dbraw/zinc/76/05/38/1046760538.db2.gz BAFHRPAUVOWTHE-GOSISDBHSA-N 1 0 380.540 3.805 20 30 GHEDRO CC(C)[N@@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C#N ZINC001301965299 1046764794 /nfs/dbraw/zinc/76/47/94/1046764794.db2.gz IWDKMHIZIVDSET-KRWDZBQOSA-N 1 0 393.539 3.753 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N(C)CC[NH+]2CCCCC2)n1Cc1cccs1 ZINC001263498991 1046909595 /nfs/dbraw/zinc/90/95/95/1046909595.db2.gz SVELSFBNMPSLFR-KRWDZBQOSA-N 1 0 386.569 3.717 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001302886615 1047168283 /nfs/dbraw/zinc/16/82/83/1047168283.db2.gz MELIULOVXQQMQC-OAQYLSRUSA-N 1 0 394.567 3.910 20 30 GHEDRO N#CCCN(CC1CC1)c1nnc(-c2ccccc2F)n1CCC[NH+]1CCCC1 ZINC001303014670 1047249432 /nfs/dbraw/zinc/24/94/32/1047249432.db2.gz YCEDWXUDAYFZGM-UHFFFAOYSA-N 1 0 396.514 3.700 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(N3CCC[C@](C)(C#N)C3)nnc2C(C)(C)C)C1 ZINC001303303896 1047351346 /nfs/dbraw/zinc/35/13/46/1047351346.db2.gz ASJMHPXNDMTSBK-XMSQKQJNSA-N 1 0 386.588 3.826 20 30 GHEDRO COc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC001264529801 1047368542 /nfs/dbraw/zinc/36/85/42/1047368542.db2.gz YNTWYEFRMQZYOI-QGZVFWFLSA-N 1 0 377.488 3.871 20 30 GHEDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC001303476081 1047400046 /nfs/dbraw/zinc/40/00/46/1047400046.db2.gz DTHNSEMGARTOIH-SFHVURJKSA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCCCC1 ZINC001303641140 1047464050 /nfs/dbraw/zinc/46/40/50/1047464050.db2.gz PMZIGKPICLTAEW-SFHVURJKSA-N 1 0 398.530 3.622 20 30 GHEDRO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001303696879 1047484304 /nfs/dbraw/zinc/48/43/04/1047484304.db2.gz UHZFUMBUDXEYJB-ZHRRBRCNSA-N 1 0 392.507 3.771 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1)[N@H+](C)C1CC1 ZINC001303701799 1047486366 /nfs/dbraw/zinc/48/63/66/1047486366.db2.gz VRTGKJCKXVAJFL-INIZCTEOSA-N 1 0 396.514 3.697 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303737796 1047500173 /nfs/dbraw/zinc/50/01/73/1047500173.db2.gz QGATXZVPGKRPDC-MSOLQXFVSA-N 1 0 394.567 3.761 20 30 GHEDRO CC1(C#N)CCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCCCC2)CC1 ZINC001303942679 1047540264 /nfs/dbraw/zinc/54/02/64/1047540264.db2.gz XSGBPGPPKDUKAO-UHFFFAOYSA-N 1 0 396.514 3.700 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001304294526 1047636843 /nfs/dbraw/zinc/63/68/43/1047636843.db2.gz QWGGBARVOGGKQP-BBWFWOEESA-N 1 0 384.528 3.705 20 30 GHEDRO C[C@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304959643 1047822278 /nfs/dbraw/zinc/82/22/78/1047822278.db2.gz HOBUDFMCXNZMBI-FXAWDEMLSA-N 1 0 392.551 3.956 20 30 GHEDRO C[C@@H]1CCC[C@@](Cn2c(C3CCC3)nnc2N2CCC(C#N)CC2)([NH+](C)C)C1 ZINC001304983467 1047829250 /nfs/dbraw/zinc/82/92/50/1047829250.db2.gz DRAZXKMFDYIHBZ-VGOFRKELSA-N 1 0 384.572 3.796 20 30 GHEDRO N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2sc(Cl)nc2Cl)CCC1 ZINC001279853350 1047969054 /nfs/dbraw/zinc/96/90/54/1047969054.db2.gz SRXLDJXWIUVJIX-RSLMWUCJSA-N 1 0 399.347 3.517 20 30 GHEDRO C=CCCNC(=S)N1CCC[C@@]2(C1)C[N@H+](C[C@H](CC)CCCC)CCO2 ZINC001279936175 1047993884 /nfs/dbraw/zinc/99/38/84/1047993884.db2.gz FWYFRSMDNAVKNG-CTNGQTDRSA-N 1 0 381.630 3.820 20 30 GHEDRO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3CCCc2ccc(Cl)c(Cl)c2)CCC1 ZINC001280054429 1048066415 /nfs/dbraw/zinc/06/64/15/1048066415.db2.gz KOANURLEJQOOKI-MGPUTAFESA-N 1 0 392.330 3.953 20 30 GHEDRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001305717404 1048229251 /nfs/dbraw/zinc/22/92/51/1048229251.db2.gz SQCMGUIPWOQKBQ-IBGZPJMESA-N 1 0 388.604 3.973 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001286289298 1048256966 /nfs/dbraw/zinc/25/69/66/1048256966.db2.gz LDEWJBBIHCDLEC-ROUUACIJSA-N 1 0 383.515 3.807 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001286294686 1048259613 /nfs/dbraw/zinc/25/96/13/1048259613.db2.gz WOUIYXYBGQWDSP-ZCNNSNEGSA-N 1 0 387.572 3.632 20 30 GHEDRO CC[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001305841843 1048261018 /nfs/dbraw/zinc/26/10/18/1048261018.db2.gz FWPSKJDHZYWSHD-NRFANRHFSA-N 1 0 392.551 3.613 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001286371514 1048294905 /nfs/dbraw/zinc/29/49/05/1048294905.db2.gz UTJSDRYPBMRLCA-KRWDZBQOSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001286371235 1048295412 /nfs/dbraw/zinc/29/54/12/1048295412.db2.gz IRLXHTNHUHOBBL-LJQANCHMSA-N 1 0 391.544 3.913 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccsc2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286378071 1048299264 /nfs/dbraw/zinc/29/92/64/1048299264.db2.gz GKKISFWRCKRPAN-OALUTQOASA-N 1 0 399.608 3.758 20 30 GHEDRO C#CCN(CC#C)c1nnc([C@@H](C)CC)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286397634 1048301982 /nfs/dbraw/zinc/30/19/82/1048301982.db2.gz ONCFBKZMRHTJGM-HBMCJLEFSA-N 1 0 383.584 3.623 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CCC1CC[NH+](CC)CC1 ZINC001286438495 1048321576 /nfs/dbraw/zinc/32/15/76/1048321576.db2.gz XLPNRZCBWPODPL-UHFFFAOYSA-N 1 0 395.551 3.535 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC[N@@H+](CC)C1CC1 ZINC001286527690 1048352578 /nfs/dbraw/zinc/35/25/78/1048352578.db2.gz HVRQRCAGFGYMJW-XMMPIXPASA-N 1 0 391.563 3.540 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001286645920 1048412210 /nfs/dbraw/zinc/41/22/10/1048412210.db2.gz JGAZBYCQELNCSC-LJQANCHMSA-N 1 0 387.572 3.941 20 30 GHEDRO C=CCC(C)(C)Cn1c(C(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 ZINC001286667074 1048433336 /nfs/dbraw/zinc/43/33/36/1048433336.db2.gz OIFXBLDCPBWMJP-RBUKOAKNSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001286683813 1048445213 /nfs/dbraw/zinc/44/52/13/1048445213.db2.gz BJVOMFADFSNHQR-UYAOXDASSA-N 1 0 395.551 3.983 20 30 GHEDRO C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286687937 1048449019 /nfs/dbraw/zinc/44/90/19/1048449019.db2.gz STTMWPOLZHPCTR-OTWHNJEPSA-N 1 0 375.561 3.795 20 30 GHEDRO CCc1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001306130676 1048453659 /nfs/dbraw/zinc/45/36/59/1048453659.db2.gz FLYBOHZCDXSKQC-HXUWFJFHSA-N 1 0 380.540 3.582 20 30 GHEDRO C=CCCOCCn1c(C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286706061 1048464939 /nfs/dbraw/zinc/46/49/39/1048464939.db2.gz JNNWEEZXTLXXGF-IBGZPJMESA-N 1 0 389.588 3.660 20 30 GHEDRO C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001286709356 1048467421 /nfs/dbraw/zinc/46/74/21/1048467421.db2.gz QVQZLLDPCFCCMD-VQTJNVASSA-N 1 0 395.551 3.519 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)CC)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286715575 1048472282 /nfs/dbraw/zinc/47/22/82/1048472282.db2.gz LLEYLJCJBFQUGH-VQTJNVASSA-N 1 0 396.583 3.625 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001286720157 1048476211 /nfs/dbraw/zinc/47/62/11/1048476211.db2.gz UJOZCZWGDWWNKD-QGZVFWFLSA-N 1 0 391.519 3.916 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001286721032 1048477134 /nfs/dbraw/zinc/47/71/34/1048477134.db2.gz QSUPOSHIDIYVRF-UHFFFAOYSA-N 1 0 383.540 3.698 20 30 GHEDRO C=CCN(CC=C)c1nnc(C)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001286753361 1048506122 /nfs/dbraw/zinc/50/61/22/1048506122.db2.gz BGBWZWGSPRHYEU-NRFANRHFSA-N 1 0 381.524 3.611 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCCC2)C1 ZINC001286804271 1048531138 /nfs/dbraw/zinc/53/11/38/1048531138.db2.gz JRUGCFKAANGPGW-HXUWFJFHSA-N 1 0 395.551 3.521 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001286964341 1048556031 /nfs/dbraw/zinc/55/60/31/1048556031.db2.gz HIZVRUFZYAFSMT-QGZVFWFLSA-N 1 0 398.530 3.945 20 30 GHEDRO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CC)C1)[NH+]1CCCC1 ZINC001306364403 1048601961 /nfs/dbraw/zinc/60/19/61/1048601961.db2.gz PERWMDJWKMUPDJ-RXVVDRJESA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CC)C1)[NH+]1CCCC1 ZINC001306364404 1048601982 /nfs/dbraw/zinc/60/19/82/1048601982.db2.gz PERWMDJWKMUPDJ-WIYYLYMNSA-N 1 0 392.551 3.927 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001306722792 1048850410 /nfs/dbraw/zinc/85/04/10/1048850410.db2.gz LCMGRCNCMZTWKJ-WIYYLYMNSA-N 1 0 388.535 3.642 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(CC#N)CC2)nnc1C(C)(C)C ZINC001307067588 1049051673 /nfs/dbraw/zinc/05/16/73/1049051673.db2.gz LWBNUBOFXVZHQG-IBGZPJMESA-N 1 0 386.588 3.970 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001288507440 1049117236 /nfs/dbraw/zinc/11/72/36/1049117236.db2.gz MXPUXRAKZZIZKC-SFHVURJKSA-N 1 0 394.567 3.762 20 30 GHEDRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001288692013 1049201539 /nfs/dbraw/zinc/20/15/39/1049201539.db2.gz YSNQSDXGVRZNDN-WMZHIEFXSA-N 1 0 398.599 3.873 20 30 GHEDRO CCc1ccc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC001307373832 1049230421 /nfs/dbraw/zinc/23/04/21/1049230421.db2.gz SHVQVGOJTAFILF-UHFFFAOYSA-N 1 0 383.495 3.889 20 30 GHEDRO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3ncc(C#N)c3[nH]2)cc1 ZINC001307418465 1049259268 /nfs/dbraw/zinc/25/92/68/1049259268.db2.gz JHFIJCZLNOCYRJ-LJQANCHMSA-N 1 0 375.476 3.941 20 30 GHEDRO CC[N@H+](Cc1cc(=O)n2ncc(C#N)c2[nH]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001307500619 1049340870 /nfs/dbraw/zinc/34/08/70/1049340870.db2.gz OQENSTWRYBLQRJ-LJQANCHMSA-N 1 0 381.455 3.535 20 30 GHEDRO CC(C)[C@@H](CC[N@H+](C)CCOc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC001307504983 1049346806 /nfs/dbraw/zinc/34/68/06/1049346806.db2.gz JYQQQLKBZZGUGR-LJQANCHMSA-N 1 0 375.513 3.808 20 30 GHEDRO N#Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC001307529825 1049376245 /nfs/dbraw/zinc/37/62/45/1049376245.db2.gz LZPSKYRHLAZHHH-NHCUHLMSSA-N 1 0 378.497 3.889 20 30 GHEDRO Cc1cc(Cn2c(C3CCC3)nnc2N(C)[C@@H](C)CC#N)cc(N2CCCC2)[nH+]1 ZINC001289399333 1049466675 /nfs/dbraw/zinc/46/66/75/1049466675.db2.gz YMJGJZLAMIFSLR-KRWDZBQOSA-N 1 0 393.539 3.636 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC001307716139 1049531518 /nfs/dbraw/zinc/53/15/18/1049531518.db2.gz RWEMRXBDBHIQIT-HNNXBMFYSA-N 1 0 377.271 3.884 20 30 GHEDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001307771000 1049581208 /nfs/dbraw/zinc/58/12/08/1049581208.db2.gz VPGKYWFRISQETG-TYPHKJRUSA-N 1 0 399.535 3.650 20 30 GHEDRO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CCOc1ccc(C#N)cc1OC)C2 ZINC001307852848 1049635454 /nfs/dbraw/zinc/63/54/54/1049635454.db2.gz SRGAOBBMWAVAEM-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO CC[N@H+](CCOc1ccccc1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307862752 1049645483 /nfs/dbraw/zinc/64/54/83/1049645483.db2.gz WVNAPMSMWXCMHI-OAQYLSRUSA-N 1 0 377.488 3.763 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001307949719 1049717369 /nfs/dbraw/zinc/71/73/69/1049717369.db2.gz JJRAWRUXTKARJW-YUELXQCFSA-N 1 0 393.409 3.562 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](CC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C1 ZINC001308070031 1049816387 /nfs/dbraw/zinc/81/63/87/1049816387.db2.gz YITXPLPYINIUED-OFNKIYASSA-N 1 0 396.556 3.750 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)CCO2 ZINC001308121663 1049864248 /nfs/dbraw/zinc/86/42/48/1049864248.db2.gz QCSQTFMZLZPLOV-CYBMUJFWSA-N 1 0 381.501 3.723 20 30 GHEDRO CCO[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CC1 ZINC001308125888 1049870697 /nfs/dbraw/zinc/87/06/97/1049870697.db2.gz YSXDCUMGAILGPZ-OUAUKWLOSA-N 1 0 381.307 3.904 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCSC[C@@H]3C)sc2C1 ZINC001308140656 1049879453 /nfs/dbraw/zinc/87/94/53/1049879453.db2.gz ICIDMFWMWUNCDP-KBPBESRZSA-N 1 0 377.579 3.901 20 30 GHEDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)ncc1C#N ZINC001290980956 1049963943 /nfs/dbraw/zinc/96/39/43/1049963943.db2.gz OCMYHWGSSNKFDB-IRXDYDNUSA-N 1 0 376.504 3.670 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC001308389224 1049964837 /nfs/dbraw/zinc/96/48/37/1049964837.db2.gz BJILUXQTXBQAAK-MRXNPFEDSA-N 1 0 383.648 3.936 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](CO)Cc3ccoc3)c2)c1 ZINC001308503271 1049992346 /nfs/dbraw/zinc/99/23/46/1049992346.db2.gz QRUMCMZKZJFZCA-JOCHJYFZSA-N 1 0 376.456 3.671 20 30 GHEDRO C#CCC[C@@H](O)C[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001308507993 1049993585 /nfs/dbraw/zinc/99/35/85/1049993585.db2.gz WTLAWLSHOQROTI-HXUWFJFHSA-N 1 0 395.503 3.960 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001308518289 1049996875 /nfs/dbraw/zinc/99/68/75/1049996875.db2.gz DZKQFPOJACINDW-HIFRSBDPSA-N 1 0 392.215 3.661 20 30 GHEDRO Fc1cccc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1OCC(F)(F)F ZINC001308519948 1049997609 /nfs/dbraw/zinc/99/76/09/1049997609.db2.gz ZNMPIBIEWXSTGE-CMPLNLGQSA-N 1 0 375.284 3.966 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@@](O)(c2ccccc2Cl)C(F)(F)F)cc1 ZINC001308558913 1050008924 /nfs/dbraw/zinc/00/89/24/1050008924.db2.gz RRBJBYGAOANFTJ-GOSISDBHSA-N 1 0 383.797 3.892 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc(C(=O)OC)o3)c(OCC)c2)C1 ZINC001308880070 1050136451 /nfs/dbraw/zinc/13/64/51/1050136451.db2.gz FOAKDBZQLCXIMD-KRWDZBQOSA-N 1 0 397.471 3.889 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001327974644 1050342382 /nfs/dbraw/zinc/34/23/82/1050342382.db2.gz BLWGORFXFCPPRY-UHFFFAOYSA-N 1 0 387.487 3.603 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+]1C ZINC001310211090 1051225692 /nfs/dbraw/zinc/22/56/92/1051225692.db2.gz NWMWDVGNVOUWPH-YJBOKZPZSA-N 1 0 379.464 3.692 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC001310481327 1051387490 /nfs/dbraw/zinc/38/74/90/1051387490.db2.gz DTANFSXKHNJTRP-UHFFFAOYSA-N 1 0 394.306 3.564 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC001334661492 1051962834 /nfs/dbraw/zinc/96/28/34/1051962834.db2.gz LDZOOMOIVNMEOY-UHFFFAOYSA-N 1 0 390.409 3.549 20 30 GHEDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC001335315544 1052071233 /nfs/dbraw/zinc/07/12/33/1052071233.db2.gz YUMFGDXLFMFMFS-HRAATJIYSA-N 1 0 380.492 3.816 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1C#N ZINC001311405680 1052110489 /nfs/dbraw/zinc/11/04/89/1052110489.db2.gz MZUGWQYERDMCGD-FQEVSTJZSA-N 1 0 394.544 3.916 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCSc1ncc(C(F)(F)F)cc1Cl ZINC001336710979 1052312669 /nfs/dbraw/zinc/31/26/69/1052312669.db2.gz UMBKFKYNVCSTDH-LLVKDONJSA-N 1 0 381.851 3.736 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC ZINC001312071075 1052557017 /nfs/dbraw/zinc/55/70/17/1052557017.db2.gz DNRHORJTPCQWTG-OAQYLSRUSA-N 1 0 399.922 3.692 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312630207 1052817819 /nfs/dbraw/zinc/81/78/19/1052817819.db2.gz YZELGHXCXQLEMR-PKTZIBPZSA-N 1 0 377.532 3.995 20 30 GHEDRO C=CCCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001312637566 1052820182 /nfs/dbraw/zinc/82/01/82/1052820182.db2.gz UJQAJUGJEMIKQP-XZOQPEGZSA-N 1 0 393.531 3.929 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC001312674835 1052833649 /nfs/dbraw/zinc/83/36/49/1052833649.db2.gz JELYTAYSVFYLMJ-XMSQKQJNSA-N 1 0 379.504 3.714 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313135319 1052965595 /nfs/dbraw/zinc/96/55/95/1052965595.db2.gz CGMCMDXVWPVKBJ-NZQKXSOJSA-N 1 0 375.516 3.600 20 30 GHEDRO CN(C(=O)NCC#CC[NH+](C)C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001313439773 1053054837 /nfs/dbraw/zinc/05/48/37/1053054837.db2.gz SHGHFJJVQAIEOE-QZTJIDSGSA-N 1 0 381.442 3.548 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)C2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001342295689 1053082555 /nfs/dbraw/zinc/08/25/55/1053082555.db2.gz FKCLMPPVCWYRGF-FQEVSTJZSA-N 1 0 387.572 3.533 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)[C@H](C)O)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342313565 1053097113 /nfs/dbraw/zinc/09/71/13/1053097113.db2.gz TVRWAGMOQPCMEY-RBUKOAKNSA-N 1 0 389.588 3.573 20 30 GHEDRO CC[N@H+](CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)CC#N)C1CC1 ZINC001313805284 1053238878 /nfs/dbraw/zinc/23/88/78/1053238878.db2.gz IXVKVGNGPVGJJU-MRXNPFEDSA-N 1 0 392.507 3.914 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313911368 1053285945 /nfs/dbraw/zinc/28/59/45/1053285945.db2.gz OHRAIFFQRXTJLY-UGKGYDQZSA-N 1 0 384.572 3.940 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001342829183 1053378824 /nfs/dbraw/zinc/37/88/24/1053378824.db2.gz WQPCBEUWPKGSST-UXHICEINSA-N 1 0 386.588 3.871 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001342887798 1053411322 /nfs/dbraw/zinc/41/13/22/1053411322.db2.gz VASRQOCADOPPPG-NLWGTHIKSA-N 1 0 382.556 3.568 20 30 GHEDRO CCn1c(N2CCC[C@H](C#N)C2)nnc1[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001343002296 1053489959 /nfs/dbraw/zinc/48/99/59/1053489959.db2.gz RQZYHDQESBKMES-HMFYCAOWSA-N 1 0 396.514 3.670 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCN(Cc2ccccc2Cl)CC1 ZINC001343559277 1053879922 /nfs/dbraw/zinc/87/99/22/1053879922.db2.gz SBECLDKWOJOLIR-ZWKOTPCHSA-N 1 0 398.942 3.537 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)OCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343607352 1053922909 /nfs/dbraw/zinc/92/29/09/1053922909.db2.gz WFUJPMXUKHQOCY-GOSISDBHSA-N 1 0 375.561 3.797 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1cccs1 ZINC001343615841 1053929663 /nfs/dbraw/zinc/92/96/63/1053929663.db2.gz YIBOAHARKLFYEX-KRWDZBQOSA-N 1 0 398.580 3.644 20 30 GHEDRO CN1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1 ZINC001343722535 1053986341 /nfs/dbraw/zinc/98/63/41/1053986341.db2.gz SGRBTFGVKRSNJP-HXUWFJFHSA-N 1 0 378.524 3.613 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001343928395 1054124076 /nfs/dbraw/zinc/12/40/76/1054124076.db2.gz PSZSZHITHSTYFC-UHFFFAOYSA-N 1 0 388.920 3.717 20 30 GHEDRO CN(Cc1cc(C#N)cs1)c1nnc([C@@H]2CCCN2C)n1Cc1ccccc1 ZINC001344068816 1054224666 /nfs/dbraw/zinc/22/46/66/1054224666.db2.gz OFJHVBHVWMOLSQ-IBGZPJMESA-N 1 0 392.532 3.663 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC001344493318 1054520610 /nfs/dbraw/zinc/52/06/10/1054520610.db2.gz QACYXWZYONNFFP-QGZVFWFLSA-N 1 0 393.915 3.622 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cccc2)cc1 ZINC001318282532 1054545318 /nfs/dbraw/zinc/54/53/18/1054545318.db2.gz VOOUERXFHPFIIH-UHFFFAOYSA-N 1 0 386.499 3.612 20 30 GHEDRO CCCn1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC001345219398 1054946168 /nfs/dbraw/zinc/94/61/68/1054946168.db2.gz GCSCCBAEFWXUCQ-UHFFFAOYSA-N 1 0 380.492 3.564 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1ccc(CC#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC001318951597 1054962008 /nfs/dbraw/zinc/96/20/08/1054962008.db2.gz PABRHLCHKZPHLC-SFHVURJKSA-N 1 0 399.560 3.941 20 30 GHEDRO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C3CCOCC3)n2CC2CC2)C1 ZINC001345345243 1054997597 /nfs/dbraw/zinc/99/75/97/1054997597.db2.gz IHKIKDDQJDTZSB-WIYYLYMNSA-N 1 0 399.583 3.797 20 30 GHEDRO Cc1cc(NCc2ccc(N(C)CCC#N)cc2)ccc1N1CC[NH+](C)CC1 ZINC001319874412 1055515640 /nfs/dbraw/zinc/51/56/40/1055515640.db2.gz MROMWSXWLVSQAN-UHFFFAOYSA-N 1 0 377.536 3.709 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC001320094928 1055652500 /nfs/dbraw/zinc/65/25/00/1055652500.db2.gz NUHRMRSFXBUHCE-UHFFFAOYSA-N 1 0 397.223 3.519 20 30 GHEDRO C=C[C@H](COC)NC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001320304429 1055745650 /nfs/dbraw/zinc/74/56/50/1055745650.db2.gz YPWZWEDHOSWXHY-TZIWHRDSSA-N 1 0 389.540 3.789 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC001320690888 1055930365 /nfs/dbraw/zinc/93/03/65/1055930365.db2.gz VGTUFIFKCIIPLC-LFDOHDQPSA-N 1 0 391.298 3.947 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](CO)CC3CCOCC3)c2)c1 ZINC001320865319 1055992165 /nfs/dbraw/zinc/99/21/65/1055992165.db2.gz ZIINVBCDCQAFDX-QHCPKHFHSA-N 1 0 394.515 3.652 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300450457 1056132529 /nfs/dbraw/zinc/13/25/29/1056132529.db2.gz UPRWIDRKWDXQPD-BGYRXZFFSA-N 1 0 379.552 3.773 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300468871 1056205755 /nfs/dbraw/zinc/20/57/55/1056205755.db2.gz OBWANUPYWVRLSB-BGYRXZFFSA-N 1 0 393.579 3.615 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+](C)C)CCCC1 ZINC001300511085 1056328880 /nfs/dbraw/zinc/32/88/80/1056328880.db2.gz FAWUCEQKLAYMCI-UHFFFAOYSA-N 1 0 395.938 3.546 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001200591077 1056421678 /nfs/dbraw/zinc/42/16/78/1056421678.db2.gz SIVZOGMTFQWDNT-HNNXBMFYSA-N 1 0 378.900 3.841 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCCC[NH+]1CCC(C)CC1 ZINC001300555247 1056459370 /nfs/dbraw/zinc/45/93/70/1056459370.db2.gz VTXJROFFRHOPGM-UHFFFAOYSA-N 1 0 383.584 3.551 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[NH+](CC)CC ZINC001300609025 1056632607 /nfs/dbraw/zinc/63/26/07/1056632607.db2.gz HQZMFJWLPITJHD-HNNXBMFYSA-N 1 0 391.922 3.927 20 30 GHEDRO COC(=O)Nc1ccc(CC[NH2+]Cc2cc(C#N)ccc2Br)cc1 ZINC001200693032 1056748427 /nfs/dbraw/zinc/74/84/27/1056748427.db2.gz YMGHMUAGTAWPPT-UHFFFAOYSA-N 1 0 388.265 3.831 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(CCCC#N)n2CCc2ccccc2)CC1 ZINC001354548165 1056765509 /nfs/dbraw/zinc/76/55/09/1056765509.db2.gz RZZMTOCGNVWMRS-UHFFFAOYSA-N 1 0 394.567 3.678 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC001323250254 1056944321 /nfs/dbraw/zinc/94/43/21/1056944321.db2.gz ZOZJUXSQGRUVDX-ZDUSSCGKSA-N 1 0 385.430 3.828 20 30 GHEDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000848407264 1057070414 /nfs/dbraw/zinc/07/04/14/1057070414.db2.gz NMNCXQAXPBDJSO-JOCHJYFZSA-N 1 0 394.519 3.706 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001324231010 1057093459 /nfs/dbraw/zinc/09/34/59/1057093459.db2.gz VXZJLRNKFABXNM-KBRMVUAJSA-N 1 0 383.536 3.559 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001356107029 1057391684 /nfs/dbraw/zinc/39/16/84/1057391684.db2.gz HVCYACZNWVYMIW-PKOBYXMFSA-N 1 0 375.561 3.510 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(OCC)CCC1 ZINC001356265401 1057453119 /nfs/dbraw/zinc/45/31/19/1057453119.db2.gz IHFNOBYDWJSIKP-AZUAARDMSA-N 1 0 399.583 3.723 20 30 GHEDRO CNC(NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)=[NH+]C ZINC000849009625 1057517926 /nfs/dbraw/zinc/51/79/26/1057517926.db2.gz LTAWAOWCQRUXMK-INIZCTEOSA-N 1 0 397.375 3.949 20 30 GHEDRO O=C(C[NH+]=C(Nc1ccccc1)N1CCCCC1)N1CCCc2ccccc21 ZINC000849064280 1057575478 /nfs/dbraw/zinc/57/54/78/1057575478.db2.gz JZOUWBDSOQBFRW-UHFFFAOYSA-N 1 0 376.504 3.920 20 30 GHEDRO CS(=O)(=O)Cc1cccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000849066906 1057577169 /nfs/dbraw/zinc/57/71/69/1057577169.db2.gz HBNODQNJJNMZAY-UHFFFAOYSA-N 1 0 385.533 3.685 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000849081544 1057585089 /nfs/dbraw/zinc/58/50/89/1057585089.db2.gz DBJQIGSMYVYCNX-LESCRADOSA-N 1 0 385.512 3.895 20 30 GHEDRO CCOC(=O)c1csc(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)n1 ZINC000849089132 1057588947 /nfs/dbraw/zinc/58/89/47/1057588947.db2.gz YKTDVLFWZAPHAT-UHFFFAOYSA-N 1 0 386.521 3.816 20 30 GHEDRO Cc1nc(N2CCCCC2)sc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC001327069648 1057592562 /nfs/dbraw/zinc/59/25/62/1057592562.db2.gz YPGPWTANJUBUAN-UHFFFAOYSA-N 1 0 381.549 3.894 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001357116861 1057607547 /nfs/dbraw/zinc/60/75/47/1057607547.db2.gz KLRBUFVVZOXUHA-XCJLJZCSSA-N 1 0 394.567 3.687 20 30 GHEDRO COc1cccc(C[C@H](C)CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC001357128022 1057610597 /nfs/dbraw/zinc/61/05/97/1057610597.db2.gz CRALMAQDPSQLBT-IBGZPJMESA-N 1 0 393.531 3.726 20 30 GHEDRO N#Cc1ccc(CCC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001440047987 1058399862 /nfs/dbraw/zinc/39/98/62/1058399862.db2.gz QSDJCMPBDJFDIG-SGNDLWITSA-N 1 0 387.527 3.908 20 30 GHEDRO C=CCC[C@@H](C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC001338464559 1058583066 /nfs/dbraw/zinc/58/30/66/1058583066.db2.gz LEHIVJURAJYPIR-XMMPIXPASA-N 1 0 391.559 3.800 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001338864289 1058841774 /nfs/dbraw/zinc/84/17/74/1058841774.db2.gz YTYFOCCZHYXUBO-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001338866707 1058843416 /nfs/dbraw/zinc/84/34/16/1058843416.db2.gz DTRZALGRUPWZLC-CTNGQTDRSA-N 1 0 392.551 3.830 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N(Cc1cc(Br)ccc1OCC)C1CC1 ZINC001443618204 1059160580 /nfs/dbraw/zinc/16/05/80/1059160580.db2.gz PJJKRHKKAPFIHG-UHFFFAOYSA-N 1 0 395.341 3.847 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001339413225 1059188551 /nfs/dbraw/zinc/18/85/51/1059188551.db2.gz HKQSYLNZJPPGEG-INIZCTEOSA-N 1 0 393.626 3.645 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(CC#N)cc1 ZINC001339838706 1059511484 /nfs/dbraw/zinc/51/14/84/1059511484.db2.gz ZMXORFAUOOFTIE-SFHVURJKSA-N 1 0 397.544 3.606 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2C)C1 ZINC001339933153 1059567372 /nfs/dbraw/zinc/56/73/72/1059567372.db2.gz FXHYYLOSUKQJMB-MSYCTHLASA-N 1 0 396.583 3.631 20 30 GHEDRO CCN(c1nnc(CC(C)(C)C#N)n1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001340052666 1059654811 /nfs/dbraw/zinc/65/48/11/1059654811.db2.gz ANKQPYSFLOAYKL-MJGOQNOKSA-N 1 0 380.540 3.569 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC001446507804 1059784660 /nfs/dbraw/zinc/78/46/60/1059784660.db2.gz NAZIENLVJYZGSH-UHFFFAOYSA-N 1 0 382.895 3.803 20 30 GHEDRO C=CCn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001340379338 1059900713 /nfs/dbraw/zinc/90/07/13/1059900713.db2.gz AAJDRVIHGCRYKP-HSZRJFAPSA-N 1 0 394.567 3.644 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340519684 1059961028 /nfs/dbraw/zinc/96/10/28/1059961028.db2.gz IKFJTWUHIVMUTL-LJQANCHMSA-N 1 0 375.561 3.699 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001340657708 1060025966 /nfs/dbraw/zinc/02/59/66/1060025966.db2.gz ZLUDTVUCMVEYDM-QGZVFWFLSA-N 1 0 396.539 3.617 20 30 GHEDRO CCn1c([C@@H]2CCCc3cc(C#N)ccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340762926 1060103347 /nfs/dbraw/zinc/10/33/47/1060103347.db2.gz NEFPFRGSMBTKGF-OAQYLSRUSA-N 1 0 392.551 3.605 20 30 GHEDRO CCn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001341071911 1060372523 /nfs/dbraw/zinc/37/25/23/1060372523.db2.gz ROHUIIXWWWXMKC-QHCPKHFHSA-N 1 0 396.583 3.868 20 30 GHEDRO C=CC1(CC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC001449295280 1060373204 /nfs/dbraw/zinc/37/32/04/1060373204.db2.gz YDQPESNJJAUNHN-HSZRJFAPSA-N 1 0 395.591 3.932 20 30 GHEDRO [NH3+][C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC001341697274 1060817456 /nfs/dbraw/zinc/81/74/56/1060817456.db2.gz QZFLGVSWJVQZEZ-NXEZZACHSA-N 1 0 394.237 3.686 20 30 GHEDRO C=CCn1c(-c2c(C)n[nH]c2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001341969210 1060976117 /nfs/dbraw/zinc/97/61/17/1060976117.db2.gz RDAFZJVNIKILMV-LPHOPBHVSA-N 1 0 397.571 3.562 20 30 GHEDRO C=CCn1c(-c2nc[nH]c2C)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001342070775 1061039115 /nfs/dbraw/zinc/03/91/15/1061039115.db2.gz GVPTXKFMODVVKA-UHFFFAOYSA-N 1 0 397.571 3.501 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001342171812 1061103742 /nfs/dbraw/zinc/10/37/42/1061103742.db2.gz GVMRYTQQGVLXOT-HMXCVIKNSA-N 1 0 390.535 3.582 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@@H](C#N)C1 ZINC001342232221 1061160150 /nfs/dbraw/zinc/16/01/50/1061160150.db2.gz KRWSUIATQBFYIN-LEWJYISDSA-N 1 0 390.535 3.584 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(CC#N)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001346210552 1061450573 /nfs/dbraw/zinc/45/05/73/1061450573.db2.gz VIKAVOOIBBWUDN-FQEVSTJZSA-N 1 0 392.551 3.755 20 30 GHEDRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)(C)CC#N)n3CC3CC3)CC2)c1 ZINC001346476815 1061590911 /nfs/dbraw/zinc/59/09/11/1061590911.db2.gz CYSRLFVHKJVDAA-UHFFFAOYSA-N 1 0 392.551 3.510 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001454304128 1061705523 /nfs/dbraw/zinc/70/55/23/1061705523.db2.gz OZIBJUUACDNRQT-UHFFFAOYSA-N 1 0 396.535 3.677 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CCC[C@H](C2CCOCC2)C1 ZINC001346627348 1061744237 /nfs/dbraw/zinc/74/42/37/1061744237.db2.gz LSEPEXSTTSXSID-PMACEKPBSA-N 1 0 387.572 3.654 20 30 GHEDRO C=C(C)Cn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1-c1ccsc1 ZINC001346692423 1061796611 /nfs/dbraw/zinc/79/66/11/1061796611.db2.gz SFKGCAXYSBROHM-UHFFFAOYSA-N 1 0 383.525 3.790 20 30 GHEDRO C[NH+](C)CCc1cccc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC001455086598 1061999030 /nfs/dbraw/zinc/99/90/30/1061999030.db2.gz BNBQTXBDKLMNSK-SFHVURJKSA-N 1 0 375.394 3.696 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)CCCSc2ccc(Br)cc2)CC1 ZINC001455944997 1062364715 /nfs/dbraw/zinc/36/47/15/1062364715.db2.gz MKRHSOVSOADBJH-UHFFFAOYSA-N 1 0 395.366 3.535 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(C#N)c(Cl)n2)[NH+]2CCCCC2)cc1 ZINC001348283408 1062978053 /nfs/dbraw/zinc/97/80/53/1062978053.db2.gz MZCNXEWGMRNQTE-IBGZPJMESA-N 1 0 398.894 3.572 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c1C#N ZINC001457526543 1063224893 /nfs/dbraw/zinc/22/48/93/1063224893.db2.gz KZRJUXUPFJIFNE-QZTJIDSGSA-N 1 0 393.535 3.982 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001436500633 1063483825 /nfs/dbraw/zinc/48/38/25/1063483825.db2.gz OKTBQVNBMCMZSK-SEJPIABJSA-N 1 0 389.499 3.882 20 30 GHEDRO Cc1c(Cl)cnc(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1C#N ZINC001458097597 1063563086 /nfs/dbraw/zinc/56/30/86/1063563086.db2.gz XMUJCBRSSLWHIJ-HXUWFJFHSA-N 1 0 383.927 3.706 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC001458312430 1063737769 /nfs/dbraw/zinc/73/77/69/1063737769.db2.gz VAQOVIXKYDYLIR-UHFFFAOYSA-N 1 0 390.409 3.845 20 30 GHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC001459576030 1064133252 /nfs/dbraw/zinc/13/32/52/1064133252.db2.gz JDOJDFKSRNSWKM-OAQYLSRUSA-N 1 0 379.504 3.715 20 30 GHEDRO CN(C)c1cc[nH+]c(CNC(=O)c2cccc(COc3ccccc3C#N)c2)c1 ZINC001439292748 1064221698 /nfs/dbraw/zinc/22/16/98/1064221698.db2.gz YPINKOFUDLPKPC-UHFFFAOYSA-N 1 0 386.455 3.528 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC001459979797 1064316053 /nfs/dbraw/zinc/31/60/53/1064316053.db2.gz KSQYICLTJKRMJZ-NQIIRXRSSA-N 1 0 396.478 3.934 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC001463561114 1064461746 /nfs/dbraw/zinc/46/17/46/1064461746.db2.gz CIFFVSNNAWANRL-HSZRJFAPSA-N 1 0 394.515 3.756 20 30 GHEDRO C=CCn1c([C@@H](O)C2CCCC2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001351484010 1064471411 /nfs/dbraw/zinc/47/14/11/1064471411.db2.gz HPYJNAIPPKFXQP-FQEVSTJZSA-N 1 0 389.588 3.636 20 30 GHEDRO C=CCn1c(-c2c3c[nH]nc3ccc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001351544245 1064509180 /nfs/dbraw/zinc/50/91/80/1064509180.db2.gz NJFZKFHCEDFGQR-UHFFFAOYSA-N 1 0 393.539 3.626 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC001463705988 1064560415 /nfs/dbraw/zinc/56/04/15/1064560415.db2.gz JJVIIEVWQRUMBP-UHFFFAOYSA-N 1 0 397.972 3.733 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001351738086 1064582705 /nfs/dbraw/zinc/58/27/05/1064582705.db2.gz JRNYAQNVRAPNRH-UHFFFAOYSA-N 1 0 378.438 3.781 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001464102636 1064823575 /nfs/dbraw/zinc/82/35/75/1064823575.db2.gz WMYVFAQUPSYSOC-UHFFFAOYSA-N 1 0 398.304 3.847 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001352149613 1064885568 /nfs/dbraw/zinc/88/55/68/1064885568.db2.gz CGOCZEJQCIUFKI-WIYYLYMNSA-N 1 0 395.551 3.977 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001352151833 1064886823 /nfs/dbraw/zinc/88/68/23/1064886823.db2.gz QRMHNLDLOJNHES-RLLQIKCJSA-N 1 0 385.556 3.549 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCCc1cccc(O)c1 ZINC001464263854 1064932347 /nfs/dbraw/zinc/93/23/47/1064932347.db2.gz BTLWASQKVGSSOJ-UHFFFAOYSA-N 1 0 379.504 3.567 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(F)(F)c1ccccc1C#N ZINC001464643569 1065132503 /nfs/dbraw/zinc/13/25/03/1065132503.db2.gz SEPIQYMNGGVQDZ-UHFFFAOYSA-N 1 0 391.849 3.894 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CC[C@H](CC)C2)C(C)C ZINC001464868075 1065252583 /nfs/dbraw/zinc/25/25/83/1065252583.db2.gz DDFAZNPOXSTKFZ-LAUBAEHRSA-N 1 0 385.552 3.731 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC001465028374 1065337111 /nfs/dbraw/zinc/33/71/11/1065337111.db2.gz COFPVPBAYJUKTM-LJQANCHMSA-N 1 0 382.895 3.733 20 30 GHEDRO C=CCSCCNC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001465389747 1065581342 /nfs/dbraw/zinc/58/13/42/1065581342.db2.gz XZKGTWWMQKNNCS-UHFFFAOYSA-N 1 0 396.988 3.913 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001492557586 1065666361 /nfs/dbraw/zinc/66/63/61/1065666361.db2.gz PILCSRZHUPLAMI-YLJYHZDGSA-N 1 0 392.551 3.866 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001300280301 1065915557 /nfs/dbraw/zinc/91/55/57/1065915557.db2.gz ANHUUFBKLJMASF-SFHVURJKSA-N 1 0 379.552 3.840 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300284411 1065923307 /nfs/dbraw/zinc/92/33/07/1065923307.db2.gz RPCJMKXVRJEUHB-IRXDYDNUSA-N 1 0 377.492 3.634 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300291276 1065937256 /nfs/dbraw/zinc/93/72/56/1065937256.db2.gz CMECNKBKVVZNEI-RTBURBONSA-N 1 0 395.551 3.532 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC001466162819 1066005730 /nfs/dbraw/zinc/00/57/30/1066005730.db2.gz AHFBMLCLBTWRBP-UHFFFAOYSA-N 1 0 376.329 3.663 20 30 GHEDRO CC(=O)c1ccc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000847745261 1066013670 /nfs/dbraw/zinc/01/36/70/1066013670.db2.gz DHYPWVONUROHLW-UHFFFAOYSA-N 1 0 390.483 3.781 20 30 GHEDRO N#CC1(COC(=O)C[C@H]2OCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847747558 1066022614 /nfs/dbraw/zinc/02/26/14/1066022614.db2.gz QGQLLEKYXOATLU-JOCHJYFZSA-N 1 0 390.483 3.997 20 30 GHEDRO N#CC1(COC(=O)c2scnc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000847748656 1066029029 /nfs/dbraw/zinc/02/90/29/1066029029.db2.gz FKWVMHFKARDMFO-UHFFFAOYSA-N 1 0 375.881 3.759 20 30 GHEDRO Cc1ncsc1/C=C/C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748122 1066031414 /nfs/dbraw/zinc/03/14/14/1066031414.db2.gz XXMNOYRIWQVPPY-BQYQJAHWSA-N 1 0 381.501 3.814 20 30 GHEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001300347126 1066061354 /nfs/dbraw/zinc/06/13/54/1066061354.db2.gz AHBSVLYTZHTBHQ-UGKGYDQZSA-N 1 0 391.563 3.984 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001300366639 1066114240 /nfs/dbraw/zinc/11/42/40/1066114240.db2.gz OCYZJTUZVSJPIW-SFTDATJTSA-N 1 0 393.579 3.900 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c(C#N)cc1N(C)C ZINC001466762180 1066300344 /nfs/dbraw/zinc/30/03/44/1066300344.db2.gz DVUCBNQNCXXHIY-UHFFFAOYSA-N 1 0 391.519 3.850 20 30 GHEDRO N#Cc1ccc(F)c(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC001466788361 1066315057 /nfs/dbraw/zinc/31/50/57/1066315057.db2.gz HMHXMASBUCSHFH-UHFFFAOYSA-N 1 0 376.501 3.571 20 30 GHEDRO Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C#N ZINC001467843177 1067492257 /nfs/dbraw/zinc/49/22/57/1067492257.db2.gz JCNKYKKWLKKJCZ-UHFFFAOYSA-N 1 0 376.504 3.639 20 30 GHEDRO C#C[C@H](NC(=O)NCC1CC[NH+](CCC)CC1)c1ccc(Br)cc1 ZINC001477724380 1078543418 /nfs/dbraw/zinc/54/34/18/1078543418.db2.gz UISMDPCQDGZFDQ-SFHVURJKSA-N 1 0 392.341 3.545 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001358874471 1067590198 /nfs/dbraw/zinc/59/01/98/1067590198.db2.gz XPZABDJYFSGTBS-UEXGIBASSA-N 1 0 379.552 3.761 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CC[N@H+]1CCCC[C@H]1CC ZINC001358882995 1067594706 /nfs/dbraw/zinc/59/47/06/1067594706.db2.gz LPIDRZXTEXBJED-WOJBJXKFSA-N 1 0 379.552 3.976 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001358885773 1067596423 /nfs/dbraw/zinc/59/64/23/1067596423.db2.gz QICZRCZCHKGASO-UXHICEINSA-N 1 0 394.567 3.761 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001358896180 1067602553 /nfs/dbraw/zinc/60/25/53/1067602553.db2.gz ZAWDJRQHYVOPEV-RBBKRZOGSA-N 1 0 393.579 3.786 20 30 GHEDRO C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001358936643 1067620350 /nfs/dbraw/zinc/62/03/50/1067620350.db2.gz SQYGIIXSSCJHOW-NHCUHLMSSA-N 1 0 399.583 3.635 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)c(OC)c1 ZINC001468187828 1067625837 /nfs/dbraw/zinc/62/58/37/1067625837.db2.gz KBUYYTPUKYKJHD-UHFFFAOYSA-N 1 0 388.552 3.629 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)(C)C)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001358949667 1067626845 /nfs/dbraw/zinc/62/68/45/1067626845.db2.gz JXAJJLFUSOCHNP-IBGZPJMESA-N 1 0 381.568 3.847 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)(C)C)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001358949668 1067626975 /nfs/dbraw/zinc/62/69/75/1067626975.db2.gz JXAJJLFUSOCHNP-LJQANCHMSA-N 1 0 381.568 3.847 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001358974422 1067632463 /nfs/dbraw/zinc/63/24/63/1067632463.db2.gz DFYXWWWFWKEYQH-OAQYLSRUSA-N 1 0 389.547 3.530 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001359072554 1067673422 /nfs/dbraw/zinc/67/34/22/1067673422.db2.gz IBEKEFFDJALPAM-XMSQKQJNSA-N 1 0 397.592 3.654 20 30 GHEDRO C#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC001468328274 1067687637 /nfs/dbraw/zinc/68/76/37/1067687637.db2.gz NZYLFOMOPAQCPQ-YADHBBJMSA-N 1 0 376.475 3.919 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001359108700 1067687665 /nfs/dbraw/zinc/68/76/65/1067687665.db2.gz ZGOPJJXMNZJFHS-IBGZPJMESA-N 1 0 383.540 3.840 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359114930 1067693667 /nfs/dbraw/zinc/69/36/67/1067693667.db2.gz FCSGWGDFWKZETP-HXUWFJFHSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001359130058 1067699959 /nfs/dbraw/zinc/69/99/59/1067699959.db2.gz XDMZMYUOCGOZEN-UHFFFAOYSA-N 1 0 395.551 3.521 20 30 GHEDRO C=C(Cl)Cn1c(C2CCC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001359150010 1067711004 /nfs/dbraw/zinc/71/10/04/1067711004.db2.gz NKWVICYJXXRXPI-UHFFFAOYSA-N 1 0 385.943 3.663 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359163099 1067718338 /nfs/dbraw/zinc/71/83/38/1067718338.db2.gz QOVDNJVPQNXUDB-IBGZPJMESA-N 1 0 380.540 3.617 20 30 GHEDRO C=CC1CCN(c2nnc(C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001359173881 1067728521 /nfs/dbraw/zinc/72/85/21/1067728521.db2.gz QTQGDVDDNRZQOV-JOCHJYFZSA-N 1 0 379.552 3.554 20 30 GHEDRO C[C@]12CCN(Cc3csc(C#N)c3)C[C@H]1C2(Br)Br ZINC001474625403 1067766819 /nfs/dbraw/zinc/76/68/19/1067766819.db2.gz OFDUNHJKDGMEBU-NEPJUHHUSA-N 1 0 390.144 3.948 20 30 GHEDRO C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359219339 1067796672 /nfs/dbraw/zinc/79/66/72/1067796672.db2.gz NWAKMVRFTFIMBF-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC001468640721 1067801970 /nfs/dbraw/zinc/80/19/70/1067801970.db2.gz VNZNWMMMENCGIH-SFTDATJTSA-N 1 0 385.552 3.914 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)cc1 ZINC000849330305 1067802439 /nfs/dbraw/zinc/80/24/39/1067802439.db2.gz ODBUSKWMFGXLJA-IBGZPJMESA-N 1 0 385.305 3.967 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359242122 1067852418 /nfs/dbraw/zinc/85/24/18/1067852418.db2.gz QOWZANIACQRRQM-NRFANRHFSA-N 1 0 394.567 3.683 20 30 GHEDRO C=CCN(C)c1nnc(CCCc2ccccc2)n1CC[NH+]1CCC(C)CC1 ZINC001359243593 1067855670 /nfs/dbraw/zinc/85/56/70/1067855670.db2.gz XALZBKMAMFPHOQ-UHFFFAOYSA-N 1 0 381.568 3.808 20 30 GHEDRO C#CC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC001468777890 1067876751 /nfs/dbraw/zinc/87/67/51/1067876751.db2.gz LELDWROPBNAOJL-HXUWFJFHSA-N 1 0 385.577 3.802 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(OC)cc2)n1CC1([NH+](C)C)CCCC1)C1CC1 ZINC001359248600 1067889244 /nfs/dbraw/zinc/88/92/44/1067889244.db2.gz UYPJFDYUEZOIPD-UHFFFAOYSA-N 1 0 395.551 3.983 20 30 GHEDRO C=CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccsc1)[NH+](C)C)C1CC1 ZINC001359249541 1067897426 /nfs/dbraw/zinc/89/74/26/1067897426.db2.gz GVCUBEPJULRZGO-IBGZPJMESA-N 1 0 394.548 3.859 20 30 GHEDRO C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC[NH+]1CCCC1)C1CC1 ZINC001359252681 1067906587 /nfs/dbraw/zinc/90/65/87/1067906587.db2.gz CANNOMGDKWZGHM-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849580894 1067912949 /nfs/dbraw/zinc/91/29/49/1067912949.db2.gz CVKNLSJYHRBRNG-SFTDATJTSA-N 1 0 380.536 3.946 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC=CCC1)C(C)C ZINC001359265610 1067929013 /nfs/dbraw/zinc/92/90/13/1067929013.db2.gz JBDDPSLEMUXMBS-RTWAWAEBSA-N 1 0 399.583 3.637 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359269701 1067935383 /nfs/dbraw/zinc/93/53/83/1067935383.db2.gz MGLOVGXVAVTDPK-KRWDZBQOSA-N 1 0 381.499 3.747 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1F ZINC001477899741 1078617956 /nfs/dbraw/zinc/61/79/56/1078617956.db2.gz RPHQSMMKLKVESE-FOIQADDNSA-N 1 0 387.886 3.973 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001477915580 1078626120 /nfs/dbraw/zinc/62/61/20/1078626120.db2.gz IXJWZWDRAYVJIS-WOJBJXKFSA-N 1 0 391.515 3.503 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCCC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359271265 1067938510 /nfs/dbraw/zinc/93/85/10/1067938510.db2.gz PSDGUFWXCBBSDA-LJQANCHMSA-N 1 0 387.572 3.615 20 30 GHEDRO C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359311203 1068025506 /nfs/dbraw/zinc/02/55/06/1068025506.db2.gz USKUZYQGVJIDIP-UHFFFAOYSA-N 1 0 397.567 3.764 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001359476176 1068071083 /nfs/dbraw/zinc/07/10/83/1068071083.db2.gz YODJYFKXAGTESJ-APWZRJJASA-N 1 0 398.580 3.543 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC(CC#N)CC2)n1CCCCC[NH+]1CCCC1 ZINC001359504313 1068075705 /nfs/dbraw/zinc/07/57/05/1068075705.db2.gz QJWKWLBOHDFHED-UHFFFAOYSA-N 1 0 386.588 3.972 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@@H]1c1ccc(F)cc1 ZINC001469412449 1068150285 /nfs/dbraw/zinc/15/02/85/1068150285.db2.gz QGCSRAVDTOIGNV-RTWAWAEBSA-N 1 0 392.478 3.821 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC001469657764 1068289762 /nfs/dbraw/zinc/28/97/62/1068289762.db2.gz HREJBMBCWVGJQM-QGZVFWFLSA-N 1 0 381.561 3.569 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC2(C)C)CC1 ZINC001360144117 1068384285 /nfs/dbraw/zinc/38/42/85/1068384285.db2.gz VGSYTSUIKYPUJR-FQEVSTJZSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001360476451 1068523939 /nfs/dbraw/zinc/52/39/39/1068523939.db2.gz MHDMWYMELWVTLL-MRXNPFEDSA-N 1 0 398.580 3.794 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001360477840 1068524691 /nfs/dbraw/zinc/52/46/91/1068524691.db2.gz BXZPGSICJGUFEI-IEBWSBKVSA-N 1 0 382.556 3.908 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCCC1 ZINC001360599479 1068577707 /nfs/dbraw/zinc/57/77/07/1068577707.db2.gz QHAUUSPXTYHLCF-SFHVURJKSA-N 1 0 384.572 3.798 20 30 GHEDRO C=CCC1(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCC1 ZINC001470146064 1068595664 /nfs/dbraw/zinc/59/56/64/1068595664.db2.gz BRSXABIFOMHNIM-NRFANRHFSA-N 1 0 385.552 3.579 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001478173549 1078751644 /nfs/dbraw/zinc/75/16/44/1078751644.db2.gz GMLSYLRNRWZSMX-RXVVDRJESA-N 1 0 379.504 3.714 20 30 GHEDRO C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCCCC[NH+]2CCCC2)C1 ZINC001360783336 1068626976 /nfs/dbraw/zinc/62/69/76/1068626976.db2.gz HXTSIBHEDAAPLO-JOCHJYFZSA-N 1 0 395.555 3.669 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001470254496 1068649028 /nfs/dbraw/zinc/64/90/28/1068649028.db2.gz ZRMHZDBACVZUIJ-JOCHJYFZSA-N 1 0 391.515 3.505 20 30 GHEDRO CC(C)[C@H](CO)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC001460125352 1068794494 /nfs/dbraw/zinc/79/44/94/1068794494.db2.gz MBMUBKXGQWIYJK-PXNSSMCTSA-N 1 0 391.581 3.706 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)o1 ZINC001460189421 1068847143 /nfs/dbraw/zinc/84/71/43/1068847143.db2.gz YIGQIQOUMATFOC-KBXCAEBGSA-N 1 0 375.266 3.859 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)o1 ZINC001460189425 1068847422 /nfs/dbraw/zinc/84/74/22/1068847422.db2.gz YIGQIQOUMATFOC-KDOFPFPSSA-N 1 0 375.266 3.859 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC001460340231 1068933022 /nfs/dbraw/zinc/93/30/22/1068933022.db2.gz JSPRKGHURQKLTL-RTBURBONSA-N 1 0 391.515 3.992 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001460552213 1068994044 /nfs/dbraw/zinc/99/40/44/1068994044.db2.gz DAIBGNLAETVFDC-GHMZBOCLSA-N 1 0 396.472 3.633 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC001460610381 1069028217 /nfs/dbraw/zinc/02/82/17/1069028217.db2.gz QBVQEYVAPZTFSX-INMHGKMJSA-N 1 0 392.341 3.635 20 30 GHEDRO C#CCC1([NH2+]C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CCCCC1 ZINC001460827187 1069205243 /nfs/dbraw/zinc/20/52/43/1069205243.db2.gz FYFHAXXMMYMUFH-RXVVDRJESA-N 1 0 376.541 3.718 20 30 GHEDRO C[C@](CO)([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC001460912722 1069269908 /nfs/dbraw/zinc/26/99/08/1069269908.db2.gz WJSAWZAUKQSCIA-GOSISDBHSA-N 1 0 378.697 3.951 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC001470415119 1072539694 /nfs/dbraw/zinc/53/96/94/1072539694.db2.gz LEPDKXYMZKNICY-QFIPXVFZSA-N 1 0 396.510 3.998 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1C ZINC001470651223 1072669849 /nfs/dbraw/zinc/66/98/49/1072669849.db2.gz WBEUOMSBVCCCBW-UHFFFAOYSA-N 1 0 393.535 3.637 20 30 GHEDRO CC(C)C1(C)CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC001470671025 1072680019 /nfs/dbraw/zinc/68/00/19/1072680019.db2.gz CPEDUGQSDHUQGR-UHFFFAOYSA-N 1 0 382.552 3.990 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC001478745576 1078973887 /nfs/dbraw/zinc/97/38/87/1078973887.db2.gz GBVFRVXUPNZUEA-VGOFRKELSA-N 1 0 376.504 3.755 20 30 GHEDRO CC(C)[NH+]1CCC(CCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC001470948823 1072840055 /nfs/dbraw/zinc/84/00/55/1072840055.db2.gz KJOWLWSCYBIPKV-VXKWHMMOSA-N 1 0 382.552 3.978 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 ZINC001471938490 1073271544 /nfs/dbraw/zinc/27/15/44/1073271544.db2.gz OJSSPTXQEJURPK-UHFFFAOYSA-N 1 0 389.474 3.656 20 30 GHEDRO C#CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CCCc2ccccc21 ZINC001472071166 1073324906 /nfs/dbraw/zinc/32/49/06/1073324906.db2.gz SZBSLWUNMDVSSS-JOCHJYFZSA-N 1 0 380.532 3.561 20 30 GHEDRO C=CCCC[C@@H](NC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001479191499 1079144586 /nfs/dbraw/zinc/14/45/86/1079144586.db2.gz XEAOTQYZDFLKPM-OAQYLSRUSA-N 1 0 386.584 3.799 20 30 GHEDRO C=CC[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CCc1ccccc1 ZINC001473136550 1073799830 /nfs/dbraw/zinc/79/98/30/1073799830.db2.gz IJGIXASUODCSEG-UHFFFAOYSA-N 1 0 395.522 3.595 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001473137217 1073800030 /nfs/dbraw/zinc/80/00/30/1073800030.db2.gz RBMHTVQHXUDZBB-HXUWFJFHSA-N 1 0 386.536 3.886 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001473142516 1073804547 /nfs/dbraw/zinc/80/45/47/1073804547.db2.gz NWPYEHGHMTWFNI-UHFFFAOYSA-N 1 0 393.922 3.794 20 30 GHEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC001473162684 1073820256 /nfs/dbraw/zinc/82/02/56/1073820256.db2.gz DKEWGUKNGGYFSK-INIZCTEOSA-N 1 0 380.875 3.502 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)c1 ZINC001473466131 1073979126 /nfs/dbraw/zinc/97/91/26/1073979126.db2.gz YZCDIWJWUDGSBW-LAUBAEHRSA-N 1 0 375.472 3.789 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC001473488476 1073986408 /nfs/dbraw/zinc/98/64/08/1073986408.db2.gz LMWKUVMDDKRNIC-QFIPXVFZSA-N 1 0 381.545 3.947 20 30 GHEDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C12CCC2 ZINC001473535222 1074007255 /nfs/dbraw/zinc/00/72/55/1074007255.db2.gz FCNOSKDIJILSKD-FSPWUOQZSA-N 1 0 387.549 3.620 20 30 GHEDRO Cc1cc(C)cc(OCCN(C)C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC001473588133 1074033968 /nfs/dbraw/zinc/03/39/68/1074033968.db2.gz UHBCIFJCVQYPDZ-UHFFFAOYSA-N 1 0 391.515 3.681 20 30 GHEDRO Cc1ccnc(-c2noc(CC3CC[NH+](CCc4ccc(C#N)cc4)CC3)n2)c1 ZINC001473760656 1074127882 /nfs/dbraw/zinc/12/78/82/1074127882.db2.gz LJWPNIVEMNMAEF-UHFFFAOYSA-N 1 0 387.487 3.809 20 30 GHEDRO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001473790628 1074143873 /nfs/dbraw/zinc/14/38/73/1074143873.db2.gz LSQHLLNDMDNJEK-ZIAGYGMSSA-N 1 0 385.323 3.975 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(OC)c(OC[C@H](C)CC)cc2[N+](=O)[O-])CCOCC1 ZINC001473808491 1074154596 /nfs/dbraw/zinc/15/45/96/1074154596.db2.gz KBCMLMLMVBKXOX-MRXNPFEDSA-N 1 0 390.480 3.690 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC001479541323 1079225850 /nfs/dbraw/zinc/22/58/50/1079225850.db2.gz MKFSUXOJEQVXKG-KRWDZBQOSA-N 1 0 390.478 3.601 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)cc1Cl ZINC001473875509 1074186554 /nfs/dbraw/zinc/18/65/54/1074186554.db2.gz QMDAJJYRDVWGBQ-GOSISDBHSA-N 1 0 383.879 3.953 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]2(CO)c2ccccc2)c1C ZINC001473892000 1074192841 /nfs/dbraw/zinc/19/28/41/1074192841.db2.gz PQXKHYIWVNKOIM-DEOSSOPVSA-N 1 0 391.515 3.534 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1OC ZINC001473995881 1074229637 /nfs/dbraw/zinc/22/96/37/1074229637.db2.gz MQODYCLFJXQOBA-MRXNPFEDSA-N 1 0 378.513 3.995 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001474042616 1074246054 /nfs/dbraw/zinc/24/60/54/1074246054.db2.gz UQCNHNGXBQIPQI-JWQCQUIFSA-N 1 0 392.543 3.858 20 30 GHEDRO C=CCCOCC[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474101514 1074264184 /nfs/dbraw/zinc/26/41/84/1074264184.db2.gz BOMMNBIOBOUHKG-QGZVFWFLSA-N 1 0 378.513 3.520 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)CN(C)C)cc1OCC ZINC001474169494 1074282256 /nfs/dbraw/zinc/28/22/56/1074282256.db2.gz JJGZAWJRFCYXTQ-UHFFFAOYSA-N 1 0 385.346 3.842 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)cc1OC ZINC001474243551 1074307322 /nfs/dbraw/zinc/30/73/22/1074307322.db2.gz PUTAYZHXSJLKMS-MXVIHJGJSA-N 1 0 381.472 3.872 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cccc(F)c3C#N)C2)O1 ZINC001474682192 1074511538 /nfs/dbraw/zinc/51/15/38/1074511538.db2.gz UANGRVXXACZCRG-FDDCHVKYSA-N 1 0 379.479 3.563 20 30 GHEDRO Cc1ccc(C2=NO[C@@H](C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001474693959 1074518630 /nfs/dbraw/zinc/51/86/30/1074518630.db2.gz WUHUFTCHCFUVFX-HSZRJFAPSA-N 1 0 388.515 3.614 20 30 GHEDRO C[C@@H](Cn1c(N(CCC#N)CC2CC2)nnc1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493712602 1079288892 /nfs/dbraw/zinc/28/88/92/1079288892.db2.gz JMEUSKLCTHEVBB-MSOLQXFVSA-N 1 0 386.588 3.826 20 30 GHEDRO CC1CC[NH+](CCn2c(N(C)Cc3ccc(C#N)cc3)nnc2C(C)(C)C)CC1 ZINC001494088070 1079321821 /nfs/dbraw/zinc/32/18/21/1079321821.db2.gz RXYKFDFNVFFRCH-UHFFFAOYSA-N 1 0 394.567 3.816 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001495098960 1079382714 /nfs/dbraw/zinc/38/27/14/1079382714.db2.gz BLBPVZUCJZEJIJ-FXAWDEMLSA-N 1 0 380.540 3.784 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001497894668 1079524658 /nfs/dbraw/zinc/52/46/58/1079524658.db2.gz ZMZXXKZAZSVWMD-KRWDZBQOSA-N 1 0 392.551 3.730 20 30 GHEDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(Br)cc1C#N ZINC001655736182 1126255883 /nfs/dbraw/zinc/25/58/83/1126255883.db2.gz LWQGKOZWYPNQOU-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735873269 599232295 /nfs/dbraw/zinc/23/22/95/599232295.db2.gz DVJIJJAJBSFUTE-UHFFFAOYSA-N 1 0 396.882 3.833 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737727448 598562044 /nfs/dbraw/zinc/56/20/44/598562044.db2.gz MUKNFVOWQXJJRC-UHFFFAOYSA-N 1 0 396.454 3.607 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C1 ZINC000736756885 600593034 /nfs/dbraw/zinc/59/30/34/600593034.db2.gz XIGSQTKENMLFLO-IXFSTUDKSA-N 1 0 391.515 3.952 20 30 GHEDRO CC1CC[NH+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)CC1 ZINC000828296154 601299141 /nfs/dbraw/zinc/29/91/41/601299141.db2.gz VLFFPIMVCXNWTG-QFIPXVFZSA-N 1 0 377.488 3.706 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825039565 608521328 /nfs/dbraw/zinc/52/13/28/608521328.db2.gz UCARJPDCFHCBAF-GHTZIAJQSA-N 1 0 388.475 3.715 20 30 GHEDRO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434674 608550239 /nfs/dbraw/zinc/55/02/39/608550239.db2.gz DJMUWCRKAKVPMQ-JKSUJKDBSA-N 1 0 376.464 3.741 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414715 718880943 /nfs/dbraw/zinc/88/09/43/718880943.db2.gz WOAGCNGMGJUOCS-GFCCVEGCSA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCCC12CC[NH2+]CC2 ZINC001164421937 718909454 /nfs/dbraw/zinc/90/94/54/718909454.db2.gz WDGMWPOLNYUHDC-UHFFFAOYSA-N 1 0 375.250 3.917 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C#N)c(Cl)cc1Cl)[C@H]2C ZINC001164862528 721014945 /nfs/dbraw/zinc/01/49/45/721014945.db2.gz QPWQZZSSPWAUTE-LBPRGKRZSA-N 1 0 393.322 3.878 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(Cl)cc1C#N)CC2 ZINC001164796353 721498702 /nfs/dbraw/zinc/49/87/02/721498702.db2.gz QYDLPDSBSUSGQI-UHFFFAOYSA-N 1 0 381.911 3.883 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3C#N)C[C@@H]21 ZINC001165027227 721802306 /nfs/dbraw/zinc/80/23/06/721802306.db2.gz UNWZUGLNSVMQCT-ZYSHUDEJSA-N 1 0 381.911 3.739 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)C[C@H]21 ZINC001165026068 721820796 /nfs/dbraw/zinc/82/07/96/721820796.db2.gz PAAVZGQKJHDDMC-OZOXKJRCSA-N 1 0 386.503 3.566 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(cc3C#N)CCC4)C[C@H]21 ZINC001165022237 721823763 /nfs/dbraw/zinc/82/37/63/721823763.db2.gz GTSYYEYZFJPNBY-JMUQELJHSA-N 1 0 387.531 3.574 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1C#N ZINC000580686913 837394874 /nfs/dbraw/zinc/39/48/74/837394874.db2.gz VNHGXXOGGSCQSI-PZJWPPBQSA-N 1 0 384.524 3.577 20 30 GHEDRO O=C(NCC#Cc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000511466807 837502682 /nfs/dbraw/zinc/50/26/82/837502682.db2.gz VITSOMAURWAAAF-NOTZXAQLSA-N 1 0 391.490 3.672 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000176718126 837512677 /nfs/dbraw/zinc/51/26/77/837512677.db2.gz BCDMFWSGJWSIEP-JPYJTQIMSA-N 1 0 391.515 3.937 20 30 GHEDRO CSc1nc(C2CC2)cc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1C#N ZINC000581633838 837555299 /nfs/dbraw/zinc/55/52/99/837555299.db2.gz KVEYQLPNXLNFRK-OXQOHEQNSA-N 1 0 397.504 3.528 20 30 GHEDRO N#CCc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000583499597 834514586 /nfs/dbraw/zinc/51/45/86/834514586.db2.gz QBIHLSQGJFSJKO-UHFFFAOYSA-N 1 0 387.277 3.966 20 30 GHEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000176884791 837780237 /nfs/dbraw/zinc/78/02/37/837780237.db2.gz PPRNPNPOSDPERP-KRWDZBQOSA-N 1 0 394.443 3.674 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccccc3C)CCOCC2)CC1 ZINC000329198026 834531549 /nfs/dbraw/zinc/53/15/49/834531549.db2.gz WMSNFDYWKOHVBA-UHFFFAOYSA-N 1 0 385.552 3.587 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000329250526 834636688 /nfs/dbraw/zinc/63/66/88/834636688.db2.gz ULJXWLLKEZRZAJ-QGZVFWFLSA-N 1 0 392.931 3.826 20 30 GHEDRO COc1ccc(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1C#N ZINC000157500606 834653773 /nfs/dbraw/zinc/65/37/73/834653773.db2.gz MEVMKYUYPMRBGM-UHFFFAOYSA-N 1 0 376.504 3.711 20 30 GHEDRO C=CCOCCCC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000547945466 837794668 /nfs/dbraw/zinc/79/46/68/837794668.db2.gz WKQXMVKZJPOTOJ-HXUWFJFHSA-N 1 0 380.479 3.979 20 30 GHEDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)cn1 ZINC000093870531 834707528 /nfs/dbraw/zinc/70/75/28/834707528.db2.gz VGPRHUPILIVQKY-HXUWFJFHSA-N 1 0 386.499 3.935 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000430174610 834748826 /nfs/dbraw/zinc/74/88/26/834748826.db2.gz ZKTSURJFAJFNHI-LJQANCHMSA-N 1 0 379.460 3.570 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577792748 834763958 /nfs/dbraw/zinc/76/39/58/834763958.db2.gz YFNWYHNVTKILIQ-OAQYLSRUSA-N 1 0 386.503 3.547 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)CC1 ZINC000274701104 834768619 /nfs/dbraw/zinc/76/86/19/834768619.db2.gz PSSVBAZQWWOPHX-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2OC)C2CCC(O)CC2)c1 ZINC000121002712 837814728 /nfs/dbraw/zinc/81/47/28/837814728.db2.gz FIIYYVWCDMQAAM-UHFFFAOYSA-N 1 0 380.488 3.881 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000198390861 834855390 /nfs/dbraw/zinc/85/53/90/834855390.db2.gz ZTEQGMJZMAMEAS-FQEVSTJZSA-N 1 0 379.460 3.741 20 30 GHEDRO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](COC)Cc1ccccc1 ZINC000472327010 834911241 /nfs/dbraw/zinc/91/12/41/834911241.db2.gz KYSICFRJQNGVBH-FQEVSTJZSA-N 1 0 376.460 3.688 20 30 GHEDRO C=C(C)C(=O)NCCCNc1cccc(Br)c1CN(CC)CC ZINC001167671518 834995965 /nfs/dbraw/zinc/99/59/65/834995965.db2.gz GLQRWPASEBZTGI-UHFFFAOYSA-N 1 0 382.346 3.785 20 30 GHEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CC3CCC(C(C)(C)C)CC3)CC2)C1=O ZINC000329430755 835025830 /nfs/dbraw/zinc/02/58/30/835025830.db2.gz KHVQSHFFDRWTRU-FAFZWHIHSA-N 1 0 377.573 3.881 20 30 GHEDRO N#C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000471149002 835050202 /nfs/dbraw/zinc/05/02/02/835050202.db2.gz XCRWBVIPYBUTCZ-HXUWFJFHSA-N 1 0 382.895 3.551 20 30 GHEDRO Cc1sc(NC(=O)CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c(C#N)c1C ZINC000611938049 835084674 /nfs/dbraw/zinc/08/46/74/835084674.db2.gz GVWYXENYURSMRG-HXUWFJFHSA-N 1 0 396.560 3.992 20 30 GHEDRO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC000610216349 835181966 /nfs/dbraw/zinc/18/19/66/835181966.db2.gz UCCMQSDEBZWYSR-UHFFFAOYSA-N 1 0 395.503 3.584 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1C#N ZINC000178998087 835194214 /nfs/dbraw/zinc/19/42/14/835194214.db2.gz CUZLXDGRNYLCJN-UHFFFAOYSA-N 1 0 393.491 3.527 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167071319 835201186 /nfs/dbraw/zinc/20/11/86/835201186.db2.gz YLOUIXJQISXUMT-UHFFFAOYSA-N 1 0 396.878 3.556 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000548853845 835318525 /nfs/dbraw/zinc/31/85/25/835318525.db2.gz CQOZUNKYKIZYOT-UHFFFAOYSA-N 1 0 390.535 3.601 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000658139232 835466458 /nfs/dbraw/zinc/46/64/58/835466458.db2.gz OLAQAPNVCVGTOS-PZJWPPBQSA-N 1 0 383.536 3.515 20 30 GHEDRO CCCOc1cccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278589119 835485728 /nfs/dbraw/zinc/48/57/28/835485728.db2.gz GQVOWPFHEVDFAA-UHFFFAOYSA-N 1 0 389.503 3.980 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329651994 835531793 /nfs/dbraw/zinc/53/17/93/835531793.db2.gz KYLPGDLCEDPDNJ-GOSISDBHSA-N 1 0 387.549 3.586 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508811030 844068995 /nfs/dbraw/zinc/06/89/95/844068995.db2.gz RAZBJSJNOGVDRA-OAQYLSRUSA-N 1 0 379.552 3.704 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278644071 835688284 /nfs/dbraw/zinc/68/82/84/835688284.db2.gz LSTNLLVHGCEIQN-SFHVURJKSA-N 1 0 389.503 3.836 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000612177499 835795230 /nfs/dbraw/zinc/79/52/30/835795230.db2.gz IMQCVSDTBRLVDA-ZZLPTCMGSA-N 1 0 380.536 3.622 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC001208926245 835802862 /nfs/dbraw/zinc/80/28/62/835802862.db2.gz MGMWTBSMWJXHGH-UHFFFAOYSA-N 1 0 384.321 3.681 20 30 GHEDRO C=CCN(CC[NH+]1CCC2(CC1)OCc1ccc(Cl)cc12)C(=O)OCC ZINC001209021212 835853165 /nfs/dbraw/zinc/85/31/65/835853165.db2.gz SQBQVBNVWXZJFE-UHFFFAOYSA-N 1 0 378.900 3.806 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000509883418 844118213 /nfs/dbraw/zinc/11/82/13/844118213.db2.gz SNBXFXYLRXAUAZ-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO CC[C@H](CNC(=O)c1cccc(SCC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000429967727 844120287 /nfs/dbraw/zinc/12/02/87/844120287.db2.gz YDESCMLGLHFYLZ-HXUWFJFHSA-N 1 0 379.529 3.869 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000092585345 844120515 /nfs/dbraw/zinc/12/05/15/844120515.db2.gz KHOSTWHQCAWYOO-AWEZNQCLSA-N 1 0 394.924 3.745 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000120737028 836184001 /nfs/dbraw/zinc/18/40/01/836184001.db2.gz YBQXORADPQVFFW-UTKZUKDTSA-N 1 0 380.488 3.739 20 30 GHEDRO CC(C)(CCC#N)C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000092668640 844150490 /nfs/dbraw/zinc/15/04/90/844150490.db2.gz LEMUCNCFGUJWRF-UHFFFAOYSA-N 1 0 378.314 3.537 20 30 GHEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000174017896 836364708 /nfs/dbraw/zinc/36/47/08/836364708.db2.gz KLOFJGRCRGIYPZ-SFHVURJKSA-N 1 0 379.504 3.898 20 30 GHEDRO C[C@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2cccs2)o1 ZINC000748098014 836544656 /nfs/dbraw/zinc/54/46/56/836544656.db2.gz VSDNYWUSODSZEF-AWEZNQCLSA-N 1 0 384.461 3.746 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC3CC([NH+]4CCCCC4)C3)s2)cc1 ZINC000376023010 836546432 /nfs/dbraw/zinc/54/64/32/836546432.db2.gz WDGASKHDIWSIEO-UHFFFAOYSA-N 1 0 395.532 3.744 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549724202 844180222 /nfs/dbraw/zinc/18/02/22/844180222.db2.gz FGUHUONGOAVDLU-KRWDZBQOSA-N 1 0 399.514 3.808 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180217035 836721153 /nfs/dbraw/zinc/72/11/53/836721153.db2.gz YVLFEQJJKPHTCB-QHCPKHFHSA-N 1 0 385.515 3.713 20 30 GHEDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658926967 836768383 /nfs/dbraw/zinc/76/83/83/836768383.db2.gz KMLKCRAEKRYEPZ-CABZTGNLSA-N 1 0 386.311 3.928 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000180234800 836789696 /nfs/dbraw/zinc/78/96/96/836789696.db2.gz BRYGFKVNBWWKBE-UZUQRXQVSA-N 1 0 399.498 3.899 20 30 GHEDRO N#CC1CCC(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000570390298 836802358 /nfs/dbraw/zinc/80/23/58/836802358.db2.gz UJOYNEITWZSELJ-CSODTCANSA-N 1 0 379.504 3.903 20 30 GHEDRO C[N@H+](Cc1cc(C#N)ccc1Br)C1CCN(CC(F)(F)F)CC1 ZINC000452032428 836850995 /nfs/dbraw/zinc/85/09/95/836850995.db2.gz NHXMVAALEBRHPM-UHFFFAOYSA-N 1 0 390.247 3.779 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000119465813 836867809 /nfs/dbraw/zinc/86/78/09/836867809.db2.gz ILQKLAYKZQHZQV-HOTGVXAUSA-N 1 0 387.499 3.996 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)CC1 ZINC000170995368 861190763 /nfs/dbraw/zinc/19/07/63/861190763.db2.gz KANVZGBAXBMOAP-UHFFFAOYSA-N 1 0 376.485 3.642 20 30 GHEDRO C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000180274070 836949048 /nfs/dbraw/zinc/94/90/48/836949048.db2.gz VKBYLCDYWUPUPK-IBGZPJMESA-N 1 0 387.531 3.959 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000027073221 837025759 /nfs/dbraw/zinc/02/57/59/837025759.db2.gz SILLJFQJUGRHPA-QGZVFWFLSA-O 1 0 389.928 3.643 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CO[C@H]1CCCc2ccccc21 ZINC000430406931 837071575 /nfs/dbraw/zinc/07/15/75/837071575.db2.gz WDQFZTRYGCQNAR-QHCPKHFHSA-N 1 0 391.515 3.543 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000579944898 837162318 /nfs/dbraw/zinc/16/23/18/837162318.db2.gz ODRJYJAZKFWAMA-UHFFFAOYSA-N 1 0 396.466 3.709 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176109356 837168345 /nfs/dbraw/zinc/16/83/45/837168345.db2.gz RLWJASCJBRHZBG-PXNSSMCTSA-N 1 0 379.529 3.820 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180572333 837355151 /nfs/dbraw/zinc/35/51/51/837355151.db2.gz KWCQYPHMFLXZJM-SJLPKXTDSA-N 1 0 382.357 3.720 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000181206233 837854075 /nfs/dbraw/zinc/85/40/75/837854075.db2.gz IZNRXCFALANAAO-HDICACEKSA-N 1 0 393.487 3.580 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(NCc3ccc(C#N)cc3)cc2Br)CC1 ZINC000188883062 837974717 /nfs/dbraw/zinc/97/47/17/837974717.db2.gz KMHQUTKLSQUAIF-UHFFFAOYSA-N 1 0 399.336 3.680 20 30 GHEDRO C=CCCC[N@@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000121123917 837998543 /nfs/dbraw/zinc/99/85/43/837998543.db2.gz GVQJIFKMLQHAMF-UHFFFAOYSA-N 1 0 375.494 3.664 20 30 GHEDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415708139 838008506 /nfs/dbraw/zinc/00/85/06/838008506.db2.gz XAOCOYSMLOCBEM-CRAIPNDOSA-N 1 0 394.523 3.775 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415807327 838123216 /nfs/dbraw/zinc/12/32/16/838123216.db2.gz QQQDABSDOFVNJU-GFCCVEGCSA-N 1 0 382.302 3.605 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000023675223 838173030 /nfs/dbraw/zinc/17/30/30/838173030.db2.gz KZXJGXVQXJKRAI-YKSBVNFPSA-N 1 0 397.515 3.913 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000122709484 838179175 /nfs/dbraw/zinc/17/91/75/838179175.db2.gz AGPVMCNCOFFLQH-APTRMMRNSA-N 1 0 393.531 3.977 20 30 GHEDRO CCCN(C(=O)c1cc(O)cc(C#N)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000614368430 844301030 /nfs/dbraw/zinc/30/10/30/844301030.db2.gz OWWTYQUMUKEROJ-NRFANRHFSA-N 1 0 377.488 3.781 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460797094 838218209 /nfs/dbraw/zinc/21/82/09/838218209.db2.gz WKBULZFJIKZWNM-AZUAARDMSA-N 1 0 397.567 3.620 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccccc1 ZINC000189559563 838275364 /nfs/dbraw/zinc/27/53/64/838275364.db2.gz VGRQDQOPMMSXEL-QAPCUYQASA-N 1 0 386.402 3.727 20 30 GHEDRO C[C@@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000610313370 838340265 /nfs/dbraw/zinc/34/02/65/838340265.db2.gz HVHVMKRSMBJQTC-LJQANCHMSA-N 1 0 386.499 3.901 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610317811 838385154 /nfs/dbraw/zinc/38/51/54/838385154.db2.gz DWBFRMFSLCHYQU-KRWDZBQOSA-N 1 0 377.492 3.501 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000560550780 838392077 /nfs/dbraw/zinc/39/20/77/838392077.db2.gz QDWBWBDOUVXLDW-QFBILLFUSA-N 1 0 381.442 3.600 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC000728274415 838484780 /nfs/dbraw/zinc/48/47/80/838484780.db2.gz UVSOMAMNZQVNSB-UHFFFAOYSA-N 1 0 378.520 3.818 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000610341120 838562913 /nfs/dbraw/zinc/56/29/13/838562913.db2.gz BAQOOUFHNPUGGH-ZWKOTPCHSA-N 1 0 395.503 3.998 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000128446347 838567051 /nfs/dbraw/zinc/56/70/51/838567051.db2.gz NIRIKBIXPNHHDA-ZDUSSCGKSA-N 1 0 382.407 3.702 20 30 GHEDRO CC[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000610347703 838590146 /nfs/dbraw/zinc/59/01/46/838590146.db2.gz HVGZHUMFJKNQQF-HTAPYJJXSA-N 1 0 376.504 3.755 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610348354 838591777 /nfs/dbraw/zinc/59/17/77/838591777.db2.gz HSFFAMOMQZRTKL-GOSISDBHSA-N 1 0 394.519 3.839 20 30 GHEDRO C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000610353044 838634741 /nfs/dbraw/zinc/63/47/41/838634741.db2.gz SQSYUHJEKHBRTF-UPVQGACJSA-N 1 0 388.515 3.506 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(C#N)c2C)CC1 ZINC000509904768 844357089 /nfs/dbraw/zinc/35/70/89/844357089.db2.gz KSZWWFJBVGYYGU-QGZVFWFLSA-N 1 0 394.494 3.639 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000416242863 838799322 /nfs/dbraw/zinc/79/93/22/838799322.db2.gz NVTXUOIDLDINGD-NRFANRHFSA-N 1 0 395.478 3.760 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000560966160 838880085 /nfs/dbraw/zinc/88/00/85/838880085.db2.gz NRRBIRVDZHFEOS-HDICACEKSA-N 1 0 392.459 3.717 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1Cl)Cc1ccc(F)cc1C ZINC000576399720 844382627 /nfs/dbraw/zinc/38/26/27/844382627.db2.gz RTNSALNJQIBEIN-YOEHRIQHSA-N 1 0 387.886 3.915 20 30 GHEDRO COc1ccc(Nc2ccc(C#N)c(C)c2)cc1OCCCN1CC[NH+](C)CC1 ZINC001210807697 839044848 /nfs/dbraw/zinc/04/48/48/839044848.db2.gz DHDNNCKXRAOPRM-UHFFFAOYSA-N 1 0 394.519 3.635 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1 ZINC000047261947 839068142 /nfs/dbraw/zinc/06/81/42/839068142.db2.gz DOSJNOAMPWCQGY-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415082435 839176863 /nfs/dbraw/zinc/17/68/63/839176863.db2.gz LSMMLWAQWQENIE-QFBILLFUSA-N 1 0 394.475 3.998 20 30 GHEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000415088139 839188931 /nfs/dbraw/zinc/18/89/31/839188931.db2.gz UTLSAZJSBQJISB-UHFFFAOYSA-N 1 0 394.475 3.822 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415111589 839212828 /nfs/dbraw/zinc/21/28/28/839212828.db2.gz ABTFKJQHROVBOT-HKUYNNGSSA-N 1 0 378.476 3.695 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415114771 839225819 /nfs/dbraw/zinc/22/58/19/839225819.db2.gz DCTJPIMXLZKBHU-SFHVURJKSA-N 1 0 392.503 3.957 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565551171 839232612 /nfs/dbraw/zinc/23/26/12/839232612.db2.gz VRRHRWKAVBYLCW-RJYAGPCLSA-N 1 0 378.432 3.829 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000415125902 839234952 /nfs/dbraw/zinc/23/49/52/839234952.db2.gz QFDLITDSKLRUQB-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(OCCC[NH3+])CC3)c2)cc1 ZINC000415148795 839272252 /nfs/dbraw/zinc/27/22/52/839272252.db2.gz MJTHHFVMBQIROT-UHFFFAOYSA-N 1 0 394.475 3.712 20 30 GHEDRO CC(C)(C)CN(CCC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000510321607 839308819 /nfs/dbraw/zinc/30/88/19/839308819.db2.gz SBDSJECMMPCWEQ-GOSISDBHSA-N 1 0 377.479 3.932 20 30 GHEDRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541120690 839339188 /nfs/dbraw/zinc/33/91/88/839339188.db2.gz OIDNVTNBHMETOV-SFHVURJKSA-N 1 0 394.519 3.554 20 30 GHEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3C)CC2)cs1 ZINC000614402913 844437057 /nfs/dbraw/zinc/43/70/57/844437057.db2.gz YUEFIGIUSYBHAC-KRWDZBQOSA-N 1 0 384.549 3.739 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000549267324 839707160 /nfs/dbraw/zinc/70/71/60/839707160.db2.gz BRMDPYPKYWCMKW-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c(C#N)c1C ZINC000610451307 839924600 /nfs/dbraw/zinc/92/46/00/839924600.db2.gz OPGHCZQVSUQOHM-FUHWJXTLSA-N 1 0 394.519 3.692 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000610451554 839966747 /nfs/dbraw/zinc/96/67/47/839966747.db2.gz BTJAMZVAZPOCFM-LJQANCHMSA-N 1 0 379.504 3.542 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000634708905 840131266 /nfs/dbraw/zinc/13/12/66/840131266.db2.gz ATJMABOEWQURKZ-MSOLQXFVSA-N 1 0 387.442 3.595 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OC(C)(C)C)c1 ZINC001125941072 840205842 /nfs/dbraw/zinc/20/58/42/840205842.db2.gz DNKUSJLCFLXESI-UHFFFAOYSA-N 1 0 379.504 3.940 20 30 GHEDRO CCS[C@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000175871100 840250873 /nfs/dbraw/zinc/25/08/73/840250873.db2.gz HOLQYOJNSPWPQG-UXHICEINSA-N 1 0 388.581 3.696 20 30 GHEDRO CCS[C@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000175871072 840251174 /nfs/dbraw/zinc/25/11/74/840251174.db2.gz HOLQYOJNSPWPQG-PMACEKPBSA-N 1 0 388.581 3.696 20 30 GHEDRO CS(=O)(=O)c1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc(C(F)(F)F)c1 ZINC000566708090 840281951 /nfs/dbraw/zinc/28/19/51/840281951.db2.gz JHOYSKWYKXPUOX-GOSISDBHSA-N 1 0 394.418 3.758 20 30 GHEDRO [NH2+]=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000160671943 840373566 /nfs/dbraw/zinc/37/35/66/840373566.db2.gz NRZYNLBREILWOG-AWEZNQCLSA-N 1 0 378.398 3.838 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2C2CC2)c1 ZINC000580957683 840525097 /nfs/dbraw/zinc/52/50/97/840525097.db2.gz JXVVLWXNRLTYST-WIYYLYMNSA-N 1 0 388.519 3.605 20 30 GHEDRO CCOc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1OC ZINC000236915201 844557884 /nfs/dbraw/zinc/55/78/84/844557884.db2.gz GQPTVIVFDHURDZ-SFHVURJKSA-N 1 0 383.467 3.863 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000511761903 840674973 /nfs/dbraw/zinc/67/49/73/840674973.db2.gz JWSIDUXQNJEFLJ-IHWFROFDSA-N 1 0 377.463 3.552 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C2CC2)C2(C#N)CCC2)C1 ZINC000584735397 840710931 /nfs/dbraw/zinc/71/09/31/840710931.db2.gz OQSQDXYCFQICTB-UHFFFAOYSA-N 1 0 390.531 3.845 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000187365262 840711416 /nfs/dbraw/zinc/71/14/16/840711416.db2.gz WPMNSPQUEOLCLR-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000511806978 840825806 /nfs/dbraw/zinc/82/58/06/840825806.db2.gz KYUVRJPGOSHVQR-IBGZPJMESA-N 1 0 383.442 3.867 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511854563 840958922 /nfs/dbraw/zinc/95/89/22/840958922.db2.gz ILDIUFSXNOEDTH-OLMNPRSZSA-N 1 0 381.442 3.939 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000584869183 841126383 /nfs/dbraw/zinc/12/63/83/841126383.db2.gz UUSHKCZUQNEBLL-QGZVFWFLSA-N 1 0 385.261 3.869 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050963874 841231555 /nfs/dbraw/zinc/23/15/55/841231555.db2.gz KXXJDXFNWUVGOK-GOSISDBHSA-N 1 0 387.480 3.769 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc(C)cc2)cc1 ZINC000027073128 841237087 /nfs/dbraw/zinc/23/70/87/841237087.db2.gz QLGNPNDKJSBMGJ-IBGZPJMESA-O 1 0 383.537 3.552 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417933193 841287090 /nfs/dbraw/zinc/28/70/90/841287090.db2.gz NVOLTBOSJMJSOQ-NUJGCVRESA-N 1 0 381.442 3.964 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000500042009 841311765 /nfs/dbraw/zinc/31/17/65/841311765.db2.gz VKBWLQLYXGZGHM-QHCPKHFHSA-N 1 0 385.515 3.828 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000549526876 841349251 /nfs/dbraw/zinc/34/92/51/841349251.db2.gz CSNGNPLRXYCXMU-CXAGYDPISA-N 1 0 376.298 3.792 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1C#N ZINC000135182106 841358510 /nfs/dbraw/zinc/35/85/10/841358510.db2.gz YQBFMVHCLOSRNP-QGZVFWFLSA-N 1 0 396.466 3.740 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1C#N ZINC000135180734 841358842 /nfs/dbraw/zinc/35/88/42/841358842.db2.gz GNCUIJNUIPKBIY-IBGZPJMESA-N 1 0 392.503 3.909 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1cccc(C)c1 ZINC000684254757 841366570 /nfs/dbraw/zinc/36/65/70/841366570.db2.gz LLNIYSLSXPMIDK-UHFFFAOYSA-N 1 0 386.565 3.972 20 30 GHEDRO C=CCCCCC[N@@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001167461693 841384235 /nfs/dbraw/zinc/38/42/35/841384235.db2.gz PGIAJBXOSPJWGA-UHFFFAOYSA-N 1 0 399.366 3.715 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000603803610 861199759 /nfs/dbraw/zinc/19/97/59/861199759.db2.gz OUGGTUMQTSKYBB-HXUWFJFHSA-N 1 0 382.533 3.844 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000661119738 841416066 /nfs/dbraw/zinc/41/60/66/841416066.db2.gz XKTDCTHXWCCFGA-NQIIRXRSSA-N 1 0 383.536 3.588 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)C1 ZINC000329250686 861206352 /nfs/dbraw/zinc/20/63/52/861206352.db2.gz XTGGNPRYZSOGFY-KRWDZBQOSA-N 1 0 396.535 3.548 20 30 GHEDRO N#CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000661153836 841460894 /nfs/dbraw/zinc/46/08/94/841460894.db2.gz MNPUCQDEOOFACL-GOSISDBHSA-N 1 0 375.472 3.872 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000156222501 841519070 /nfs/dbraw/zinc/51/90/70/841519070.db2.gz YHGZZBBFEHGACQ-IERDGZPVSA-N 1 0 389.565 3.940 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662788187 841630795 /nfs/dbraw/zinc/63/07/95/841630795.db2.gz KILUUTWOVJIRHM-LBPRGKRZSA-N 1 0 392.246 3.787 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000651822026 841661190 /nfs/dbraw/zinc/66/11/90/841661190.db2.gz HJEIIICLWKQMLC-WAOWUJCRSA-N 1 0 390.593 3.950 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3(c4ccccc4)CC3)CC2)cc1 ZINC000045377225 841665211 /nfs/dbraw/zinc/66/52/11/841665211.db2.gz USIVEHROGOOAFU-UHFFFAOYSA-N 1 0 388.515 3.507 20 30 GHEDRO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000555553081 861225425 /nfs/dbraw/zinc/22/54/25/861225425.db2.gz AKPIQFAUCYBFJV-MRXNPFEDSA-N 1 0 396.454 3.704 20 30 GHEDRO Cc1nc(SCC(=O)Nc2cccc(OCC[NH+](C)C)c2)c(C#N)c(C)c1C ZINC000500290920 841856614 /nfs/dbraw/zinc/85/66/14/841856614.db2.gz WBTMAYZOQFCENO-UHFFFAOYSA-N 1 0 398.532 3.550 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)CCOCC1 ZINC000599491905 861245507 /nfs/dbraw/zinc/24/55/07/861245507.db2.gz YSEJKIBAEAWERO-KRWDZBQOSA-N 1 0 382.426 3.746 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874366 841888896 /nfs/dbraw/zinc/88/88/96/841888896.db2.gz RDLWVPDEKFKZOY-KSZLIROESA-N 1 0 377.488 3.512 20 30 GHEDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000078497469 842057389 /nfs/dbraw/zinc/05/73/89/842057389.db2.gz QWAVUTXFAILSOY-GOSISDBHSA-N 1 0 378.520 3.855 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nc4c(cc3C#N)CCC4)cc2)C[C@H](C)O1 ZINC000603852242 861273690 /nfs/dbraw/zinc/27/36/90/861273690.db2.gz VJNQCRVOQFRUEP-CALCHBBNSA-N 1 0 376.504 3.663 20 30 GHEDRO Cc1cc(C#N)cc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000585703378 842169282 /nfs/dbraw/zinc/16/92/82/842169282.db2.gz BCTXLRDHSPPYSO-UHFFFAOYSA-N 1 0 397.526 3.618 20 30 GHEDRO C[C@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000066985579 842232232 /nfs/dbraw/zinc/23/22/32/842232232.db2.gz KBAPQEYKQBCXES-IBGZPJMESA-N 1 0 378.520 3.825 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000585755730 842265049 /nfs/dbraw/zinc/26/50/49/842265049.db2.gz DLVLCIJTVHIWNX-HXUWFJFHSA-N 1 0 383.536 3.831 20 30 GHEDRO COc1cccc(/C(C)=C\C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000255373734 842459501 /nfs/dbraw/zinc/45/95/01/842459501.db2.gz PVVMSIIYMOTIOT-CYVLTUHYSA-N 1 0 389.499 3.705 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)/C=C\c2ccccc2C#N)CCOCC1)c1ccccc1 ZINC000255378027 842478021 /nfs/dbraw/zinc/47/80/21/842478021.db2.gz QHNXEOKDGYKSBE-YAINUAMHSA-N 1 0 389.499 3.588 20 30 GHEDRO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000036056043 842528038 /nfs/dbraw/zinc/52/80/38/842528038.db2.gz GPYFKIRUMHFAHK-QFIPXVFZSA-N 1 0 381.545 3.910 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000598724581 842538695 /nfs/dbraw/zinc/53/86/95/842538695.db2.gz KJPVEIFWVYRXMB-GFCCVEGCSA-N 1 0 379.220 3.858 20 30 GHEDRO Cc1cc([C@@H]2CCCN2C(=O)NC2CC[NH+](CCc3ccccc3)CC2)on1 ZINC000328848441 842608096 /nfs/dbraw/zinc/60/80/96/842608096.db2.gz WABIJLHXGBXMIT-FQEVSTJZSA-N 1 0 382.508 3.741 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cs1 ZINC000891709345 842712282 /nfs/dbraw/zinc/71/22/82/842712282.db2.gz QELMWOGDJGUQJH-UHFFFAOYSA-N 1 0 375.881 3.829 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000163049431 842954232 /nfs/dbraw/zinc/95/42/32/842954232.db2.gz PABODYCQNODVKE-FTRWYGJKSA-N 1 0 381.451 3.615 20 30 GHEDRO N#Cc1ccc(N[C@H]2CCCN(Cc3cnc(CC(F)(F)F)s3)C2)nc1 ZINC000896651085 861370960 /nfs/dbraw/zinc/37/09/60/861370960.db2.gz LGXVSKNRYWZKMD-ZDUSSCGKSA-N 1 0 381.427 3.591 20 30 GHEDRO CC[N@@H+]1CC[C@H]2OCCN(CCC(C#N)(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000555594472 861369754 /nfs/dbraw/zinc/36/97/54/861369754.db2.gz YKXZNXIOSPQYPV-BJKOFHAPSA-N 1 0 389.543 3.681 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000279384990 843033015 /nfs/dbraw/zinc/03/30/15/843033015.db2.gz IFRUGWDEVPHRIG-UHFFFAOYSA-N 1 0 380.467 3.728 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)ccc1OC ZINC000512234958 843174234 /nfs/dbraw/zinc/17/42/34/843174234.db2.gz VBMAWOADCSZDAG-FQEVSTJZSA-N 1 0 380.488 3.935 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000613993066 843197249 /nfs/dbraw/zinc/19/72/49/843197249.db2.gz XUBUWLKUHJKBHS-VGSWGCGISA-N 1 0 376.504 3.829 20 30 GHEDRO C[NH2+]C1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000662416325 843204693 /nfs/dbraw/zinc/20/46/93/843204693.db2.gz WVJDDIDWOIXHFU-UHFFFAOYSA-N 1 0 386.311 3.800 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1nc(C2CC2)no1 ZINC000613997376 843367897 /nfs/dbraw/zinc/36/78/97/843367897.db2.gz XYCXAIUGQWPLSE-AWEZNQCLSA-N 1 0 388.541 3.606 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC[NH2+]1 ZINC000662525149 843381693 /nfs/dbraw/zinc/38/16/93/843381693.db2.gz QXXIBOFQHBVOHG-QMHKHESXSA-N 1 0 395.478 3.954 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662520702 843386078 /nfs/dbraw/zinc/38/60/78/843386078.db2.gz LHVXONRYTFVMCX-WCQYABFASA-N 1 0 398.322 3.800 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000662578386 843418211 /nfs/dbraw/zinc/41/82/11/843418211.db2.gz ANRNMWPETISNTI-UHFFFAOYSA-N 1 0 398.322 3.944 20 30 GHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)nc1 ZINC000092004547 843542880 /nfs/dbraw/zinc/54/28/80/843542880.db2.gz HVLJKKGZGGDQAI-FQEVSTJZSA-N 1 0 392.503 3.923 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000481912159 843574436 /nfs/dbraw/zinc/57/44/36/843574436.db2.gz IOBCZRGMEBJVMW-LADGPHEKSA-N 1 0 375.516 3.816 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1F ZINC000510831639 843588687 /nfs/dbraw/zinc/58/86/87/843588687.db2.gz UYJGEHWOLZJJGF-HKUYNNGSSA-N 1 0 387.405 3.664 20 30 GHEDRO CN(C(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1)C1(C#N)CCCCC1 ZINC000604124478 843629823 /nfs/dbraw/zinc/62/98/23/843629823.db2.gz GGBDDSWUABYDTB-UHFFFAOYSA-N 1 0 392.341 3.959 20 30 GHEDRO Cn1ccnc1Sc1ncc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000329448443 861442110 /nfs/dbraw/zinc/44/21/10/861442110.db2.gz LEQKSVRDFAUAQV-HUUCEWRRSA-N 1 0 391.928 3.551 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4c(O)cccc4C3)sc2C1 ZINC000599649214 861445917 /nfs/dbraw/zinc/44/59/17/861445917.db2.gz YWZLWNCPHXPRRX-AWEZNQCLSA-N 1 0 395.528 3.837 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000453365946 843806279 /nfs/dbraw/zinc/80/62/79/843806279.db2.gz LWUUEENZHWQNKA-UKRRQHHQSA-N 1 0 391.284 3.962 20 30 GHEDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512824572 843809073 /nfs/dbraw/zinc/80/90/73/843809073.db2.gz UWUCUQOFBOJSJL-AEFFLSMTSA-N 1 0 387.499 3.720 20 30 GHEDRO CC(C)N(C(=O)c1ccc(C#N)c(Cl)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843695732 843842579 /nfs/dbraw/zinc/84/25/79/843842579.db2.gz HFCSZXWSSNIOGF-SFHVURJKSA-N 1 0 382.895 3.732 20 30 GHEDRO CC[NH+]1CCC(n2nccc2NCc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000236926866 843893029 /nfs/dbraw/zinc/89/30/29/843893029.db2.gz TWUSBGGWZJGTDW-UHFFFAOYSA-N 1 0 397.523 3.843 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000731112463 861473201 /nfs/dbraw/zinc/47/32/01/861473201.db2.gz JMAZTWZBWQZFCR-OAQYLSRUSA-N 1 0 393.487 3.666 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)c1 ZINC000731111011 861473226 /nfs/dbraw/zinc/47/32/26/861473226.db2.gz MOPPOKUQYLPXDA-JOCHJYFZSA-N 1 0 395.503 3.912 20 30 GHEDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3c(CC#N)cccc3C2)cc1Cl ZINC000599677883 861476087 /nfs/dbraw/zinc/47/60/87/861476087.db2.gz QSLPXIOZYZLRAB-UHFFFAOYSA-N 1 0 383.879 3.802 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c(C#N)c1C ZINC000433318207 844008994 /nfs/dbraw/zinc/00/89/94/844008994.db2.gz GGNUXHWIEOOTJI-LJQANCHMSA-N 1 0 383.517 3.669 20 30 GHEDRO CC[C@@H]1C[C@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC(=O)N1 ZINC000329469354 861481511 /nfs/dbraw/zinc/48/15/11/861481511.db2.gz XLGXMGUTSZFGMG-CPLUKWAASA-N 1 0 387.524 3.897 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](CO)Cc3ccco3)c2)c1 ZINC000610871181 844729077 /nfs/dbraw/zinc/72/90/77/844729077.db2.gz VJOBMQCIKDKWLS-NRFANRHFSA-N 1 0 376.456 3.671 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329470326 861491910 /nfs/dbraw/zinc/49/19/10/861491910.db2.gz YTVCTKOEPLGSHT-SFHVURJKSA-N 1 0 375.538 3.728 20 30 GHEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000047052052 844738653 /nfs/dbraw/zinc/73/86/53/844738653.db2.gz DMEXYGLMWAHKJU-LJQANCHMSA-N 1 0 376.504 3.845 20 30 GHEDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000599691080 861497883 /nfs/dbraw/zinc/49/78/83/861497883.db2.gz QOQYRHFWFLEAPG-QHCPKHFHSA-N 1 0 375.516 3.877 20 30 GHEDRO CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC ZINC000512623968 844819778 /nfs/dbraw/zinc/81/97/78/844819778.db2.gz VJOYYLBHNBMLIP-UHFFFAOYSA-N 1 0 393.487 3.816 20 30 GHEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000176202124 844823637 /nfs/dbraw/zinc/82/36/37/844823637.db2.gz SCZCWOMFSJLPFO-QGZVFWFLSA-N 1 0 375.472 3.998 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000458321062 844991374 /nfs/dbraw/zinc/99/13/74/844991374.db2.gz MVRDOEHUVAGWFH-OAQYLSRUSA-N 1 0 383.492 3.717 20 30 GHEDRO COC[C@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCc2ccccc21 ZINC000599682453 861523314 /nfs/dbraw/zinc/52/33/14/861523314.db2.gz JMSOORLPVRKXPA-KXBFYZLASA-N 1 0 383.517 3.973 20 30 GHEDRO COC[C@H](C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000599682399 861523419 /nfs/dbraw/zinc/52/34/19/861523419.db2.gz JBHKDRZUFRXGCL-HTAPYJJXSA-N 1 0 377.488 3.911 20 30 GHEDRO COc1c(C)cnc(CN(C)c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c1C ZINC000433771550 845313119 /nfs/dbraw/zinc/31/31/19/845313119.db2.gz RBIDIISCAGQENI-UHFFFAOYSA-N 1 0 377.404 3.672 20 30 GHEDRO CCc1ccc([C@@H]2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)cc1 ZINC000513374653 845333973 /nfs/dbraw/zinc/33/39/73/845333973.db2.gz BBWLSHDSIPPNMX-OAQYLSRUSA-N 1 0 382.529 3.774 20 30 GHEDRO Cc1cc(-c2noc([C@@H](c3ccc4ccccc4c3)N3CC([NH3+])C3)n2)ccc1C#N ZINC001211801641 845554546 /nfs/dbraw/zinc/55/45/46/845554546.db2.gz UFSIBLXIIIIQML-JOCHJYFZSA-N 1 0 395.466 3.802 20 30 GHEDRO COc1cccc(NC(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512800705 845580041 /nfs/dbraw/zinc/58/00/41/845580041.db2.gz GRGCOTLDDMRBTN-UHFFFAOYSA-N 1 0 397.450 3.578 20 30 GHEDRO C=CCOc1ccc(CNC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000513583449 845687008 /nfs/dbraw/zinc/68/70/08/845687008.db2.gz HKRPRFSHCAIREC-UHFFFAOYSA-N 1 0 394.519 3.715 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)CC1 ZINC000509540310 846196907 /nfs/dbraw/zinc/19/69/07/846196907.db2.gz JCCBXGOEFKOFMC-SFHVURJKSA-N 1 0 383.511 3.699 20 30 GHEDRO C=CCOc1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1Cl ZINC000513666758 846214469 /nfs/dbraw/zinc/21/44/69/846214469.db2.gz NSKLUMRLGVFISK-LJQANCHMSA-N 1 0 377.960 3.507 20 30 GHEDRO C[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513691078 846339871 /nfs/dbraw/zinc/33/98/71/846339871.db2.gz QPJRWDVGHPUNQH-GOSISDBHSA-N 1 0 391.490 3.852 20 30 GHEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1c(F)c(F)cc(F)c1F ZINC000473535968 846416626 /nfs/dbraw/zinc/41/66/26/846416626.db2.gz UHUPCUYKNDEHCB-UHFFFAOYSA-N 1 0 398.322 3.778 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000280554637 846433601 /nfs/dbraw/zinc/43/36/01/846433601.db2.gz FEYVUKZXYLYCHY-AVRDEDQJSA-N 1 0 386.492 3.950 20 30 GHEDRO COCCC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 ZINC000367029978 846439474 /nfs/dbraw/zinc/43/94/74/846439474.db2.gz MKDRWGROCCNKKC-OAQYLSRUSA-N 1 0 382.483 3.819 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000419430012 846540106 /nfs/dbraw/zinc/54/01/06/846540106.db2.gz BJXNRNSAVOXVIK-QFIPXVFZSA-N 1 0 376.504 3.887 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000684782703 846553215 /nfs/dbraw/zinc/55/32/15/846553215.db2.gz OYXHJZKCTQFQGN-KNKQGSTJSA-N 1 0 386.536 3.651 20 30 GHEDRO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000237011498 846566297 /nfs/dbraw/zinc/56/62/97/846566297.db2.gz PADUINHYORUSQT-GOSISDBHSA-N 1 0 383.467 3.863 20 30 GHEDRO Cc1cc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)nn1-c1cccc(C#N)c1 ZINC000502888154 846581042 /nfs/dbraw/zinc/58/10/42/846581042.db2.gz NVGVKHJNBOLHFJ-UHFFFAOYSA-N 1 0 384.443 3.831 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502933706 846627531 /nfs/dbraw/zinc/62/75/31/846627531.db2.gz COIRRSVGNDYYRE-QGZVFWFLSA-N 1 0 378.476 3.626 20 30 GHEDRO C[NH+]=C(NCc1cnc(C)s1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000261808832 846662169 /nfs/dbraw/zinc/66/21/69/846662169.db2.gz SHIMZIHGBSASCG-INIZCTEOSA-N 1 0 398.454 3.619 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000501189409 846722289 /nfs/dbraw/zinc/72/22/89/846722289.db2.gz QEEZAPLFJPSOER-AVRDEDQJSA-N 1 0 378.520 3.872 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000093150898 846796795 /nfs/dbraw/zinc/79/67/95/846796795.db2.gz JUHMLQBGCBPLKF-UHFFFAOYSA-N 1 0 399.498 3.640 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178559684 846809778 /nfs/dbraw/zinc/80/97/78/846809778.db2.gz VKODDWXIRFAKMZ-INIZCTEOSA-N 1 0 395.482 3.640 20 30 GHEDRO COc1cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(F)cc1C#N ZINC000599817588 861721606 /nfs/dbraw/zinc/72/16/06/861721606.db2.gz PNFOEJMMSBTGBH-CVEARBPZSA-N 1 0 388.487 3.824 20 30 GHEDRO CCc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)c2c(CC(C)(C)C)noc2n1 ZINC000503157039 846850929 /nfs/dbraw/zinc/85/09/29/846850929.db2.gz FAMWSFSZCGAPGU-UHFFFAOYSA-N 1 0 399.539 3.681 20 30 GHEDRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)C[NH+]1CCCCC1 ZINC000329593680 861728894 /nfs/dbraw/zinc/72/88/94/861728894.db2.gz OLGLWKOEYIOQHV-WCIQWLHISA-N 1 0 385.556 3.693 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)CCc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000183279912 847028588 /nfs/dbraw/zinc/02/85/88/847028588.db2.gz XMEFSSLZACJRQM-UPVQGACJSA-N 1 0 389.499 3.594 20 30 GHEDRO CC1(C#N)CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000272547088 847106683 /nfs/dbraw/zinc/10/66/83/847106683.db2.gz DNNBUZFYNYBLEJ-KRWDZBQOSA-N 1 0 392.906 3.951 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000501694494 847110331 /nfs/dbraw/zinc/11/03/31/847110331.db2.gz GKTXSAAJGLEVCJ-IBGZPJMESA-N 1 0 377.492 3.790 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1C#N ZINC000501794069 847196119 /nfs/dbraw/zinc/19/61/19/847196119.db2.gz WOCGEZGRWHHFAW-CVEARBPZSA-N 1 0 382.508 3.924 20 30 GHEDRO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000366673650 847395519 /nfs/dbraw/zinc/39/55/19/847395519.db2.gz NFTGWMFOWARKCD-UHFFFAOYSA-N 1 0 398.514 3.875 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261867655 847474454 /nfs/dbraw/zinc/47/44/54/847474454.db2.gz ZFTAVZQRWOOVQS-XUVXKRRUSA-N 1 0 394.519 3.663 20 30 GHEDRO C[N@@H+]1CCCC12CCN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC2 ZINC000329624809 861812430 /nfs/dbraw/zinc/81/24/30/861812430.db2.gz GIKDCFYQISNXLR-UHFFFAOYSA-N 1 0 378.904 3.762 20 30 GHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000421086199 847703407 /nfs/dbraw/zinc/70/34/07/847703407.db2.gz IQSSHHNHXOIWQP-FQEVSTJZSA-N 1 0 392.503 3.890 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000183941706 847759534 /nfs/dbraw/zinc/75/95/34/847759534.db2.gz LNPBCGDBYHQPNM-UHFFFAOYSA-N 1 0 394.475 3.950 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000522496199 861833044 /nfs/dbraw/zinc/83/30/44/861833044.db2.gz FPDLOPFPHARZMF-MSOLQXFVSA-N 1 0 377.488 3.667 20 30 GHEDRO CCC1(CO)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000128004447 847842903 /nfs/dbraw/zinc/84/29/03/847842903.db2.gz WELROXTWZBTZDV-HNNXBMFYSA-N 1 0 389.565 3.558 20 30 GHEDRO C[C@@H]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC12CCCCC2 ZINC000329639956 861863269 /nfs/dbraw/zinc/86/32/69/861863269.db2.gz WUQZCXCJEXZGQC-LJQANCHMSA-N 1 0 399.583 3.540 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1cc(Cl)ccc1OC)Cc1ccc(C#N)cc1 ZINC000097491141 848284338 /nfs/dbraw/zinc/28/43/38/848284338.db2.gz OBNYGBUNZMOPDA-UHFFFAOYSA-N 1 0 385.895 3.749 20 30 GHEDRO N#CC1(c2cccnc2NCc2ccnc(N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001167614546 848345211 /nfs/dbraw/zinc/34/52/11/848345211.db2.gz SVCNMDMHYRXUJI-UHFFFAOYSA-N 1 0 398.514 3.728 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COCc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187769707 848450478 /nfs/dbraw/zinc/45/04/78/848450478.db2.gz FPWQQJFSGYIAKP-LAUBAEHRSA-N 1 0 377.431 3.758 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1=S ZINC000738090572 861909313 /nfs/dbraw/zinc/90/93/13/861909313.db2.gz PYMSRZCEZXEXSA-UHFFFAOYSA-N 1 0 389.569 3.870 20 30 GHEDRO N#Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000731851821 861907975 /nfs/dbraw/zinc/90/79/75/861907975.db2.gz GIARCZMXHONJQE-GOSISDBHSA-N 1 0 384.867 3.703 20 30 GHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1NC(=O)c1ccco1 ZINC000120244905 848535507 /nfs/dbraw/zinc/53/55/07/848535507.db2.gz JXWPPNPZWJCNTD-UHFFFAOYSA-N 1 0 397.479 3.540 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 ZINC000582878146 848618687 /nfs/dbraw/zinc/61/86/87/848618687.db2.gz IEEWJCYHDPRNOL-UHFFFAOYSA-N 1 0 386.540 3.610 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000329666097 861973507 /nfs/dbraw/zinc/97/35/07/861973507.db2.gz RASXSJNCXNOKLG-SYYKKAFVSA-N 1 0 395.551 3.914 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006031 862004429 /nfs/dbraw/zinc/00/44/29/862004429.db2.gz KFXLCTOZSZEPQI-QFIPXVFZSA-N 1 0 395.503 3.565 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000191857147 849439873 /nfs/dbraw/zinc/43/98/73/849439873.db2.gz OXESSNRBVXJGCK-UPVQGACJSA-N 1 0 375.516 3.890 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C#N)c1Br)c1ccco1 ZINC000448809097 849566832 /nfs/dbraw/zinc/56/68/32/849566832.db2.gz FDYDEYNIDSCTPJ-OAHLLOKOSA-N 1 0 390.281 3.727 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000126120369 849659313 /nfs/dbraw/zinc/65/93/13/849659313.db2.gz PANMYNHHXVVIET-DENIHFKCSA-N 1 0 391.515 3.643 20 30 GHEDRO CC(C)[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000434768106 849752793 /nfs/dbraw/zinc/75/27/93/849752793.db2.gz XZBMMPUQXBJOJE-UHFFFAOYSA-N 1 0 392.528 3.737 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000504066327 849862253 /nfs/dbraw/zinc/86/22/53/849862253.db2.gz FZKMHDQIJOSBCM-IBGZPJMESA-N 1 0 380.517 3.721 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000434878810 849866179 /nfs/dbraw/zinc/86/61/79/849866179.db2.gz GHRIRXRWCOEZPO-JOCHJYFZSA-N 1 0 377.488 3.548 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000278251947 849887619 /nfs/dbraw/zinc/88/76/19/849887619.db2.gz HINMJSSXHAESFQ-LJQANCHMSA-N 1 0 390.405 3.906 20 30 GHEDRO N#Cc1ccc(C2(C(=O)Nc3ccc4oc(C[NH+]5CCCC5)nc4c3)CC2)cc1 ZINC000908409682 850083343 /nfs/dbraw/zinc/08/33/43/850083343.db2.gz ZUTSLXAOHFOIJS-UHFFFAOYSA-N 1 0 386.455 3.966 20 30 GHEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000486782504 850090754 /nfs/dbraw/zinc/09/07/54/850090754.db2.gz ONGCKXHRBHFVOY-OXQOHEQNSA-N 1 0 388.556 3.852 20 30 GHEDRO N#Cc1cnc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000514639723 850092771 /nfs/dbraw/zinc/09/27/71/850092771.db2.gz ANJBZMUAJUZBJD-KRWDZBQOSA-N 1 0 382.895 3.639 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000604369052 862101897 /nfs/dbraw/zinc/10/18/97/862101897.db2.gz BSZHOOUVIRVNAM-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000424110239 850223288 /nfs/dbraw/zinc/22/32/88/850223288.db2.gz CYOKHHSDFOMGSU-GOSISDBHSA-N 1 0 376.504 3.925 20 30 GHEDRO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N)CCO2 ZINC000424132681 850260167 /nfs/dbraw/zinc/26/01/67/850260167.db2.gz WODMIOAACPPFSN-LEWJYISDSA-N 1 0 393.487 3.569 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000424172936 850277599 /nfs/dbraw/zinc/27/75/99/850277599.db2.gz MJAJTXUKJWVJIW-KXBFYZLASA-N 1 0 379.342 3.594 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000504782264 850297379 /nfs/dbraw/zinc/29/73/79/850297379.db2.gz MVZRGJLCLIUDDI-FQEVSTJZSA-N 1 0 383.442 3.674 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000435566775 850650138 /nfs/dbraw/zinc/65/01/38/850650138.db2.gz OVYKYGOFOHRXSS-UHFFFAOYSA-N 1 0 378.476 3.525 20 30 GHEDRO C=CCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000424737866 850673535 /nfs/dbraw/zinc/67/35/35/850673535.db2.gz OHXKJIJMEBWEON-VXKWHMMOSA-N 1 0 382.548 3.872 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000162835707 862165550 /nfs/dbraw/zinc/16/55/50/862165550.db2.gz FPCWVAPAQADSPM-FQEVSTJZSA-N 1 0 383.536 3.830 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1 ZINC000481741330 862169669 /nfs/dbraw/zinc/16/96/69/862169669.db2.gz NZEKZZJMCSJIDS-SFTDATJTSA-N 1 0 387.524 3.515 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc(C#N)ccc3Cl)cc2)C[C@H](C)O1 ZINC000505343973 850839376 /nfs/dbraw/zinc/83/93/76/850839376.db2.gz NKPXPKDJJOJBIX-IYBDPMFKSA-N 1 0 397.906 3.751 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000515499577 851091234 /nfs/dbraw/zinc/09/12/34/851091234.db2.gz PQFRHQRBMAWVAF-HXUWFJFHSA-N 1 0 378.520 3.921 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000440384465 851108946 /nfs/dbraw/zinc/10/89/46/851108946.db2.gz WNJJUFOTDHWOCM-ILBGXUMGSA-N 1 0 387.527 3.743 20 30 GHEDRO C=CCOc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)c1 ZINC000415016672 851153238 /nfs/dbraw/zinc/15/32/38/851153238.db2.gz QGMDACWJOLRYBZ-NHCUHLMSSA-N 1 0 381.476 3.527 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)C2CCCC2)cc1OC ZINC000515559810 851190174 /nfs/dbraw/zinc/19/01/74/851190174.db2.gz OCLCVUFJZWAVPE-INIZCTEOSA-N 1 0 384.314 3.663 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000509613475 851218028 /nfs/dbraw/zinc/21/80/28/851218028.db2.gz MEQGFELDBWGUPE-FXAWDEMLSA-N 1 0 380.492 3.978 20 30 GHEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000515731558 851413537 /nfs/dbraw/zinc/41/35/37/851413537.db2.gz HTFTULLLJVFNKN-LJQANCHMSA-N 1 0 391.924 3.573 20 30 GHEDRO Cc1ccc(C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)cc1 ZINC000604522135 862244041 /nfs/dbraw/zinc/24/40/41/862244041.db2.gz YNDZXRJPJSADRZ-XZOQPEGZSA-N 1 0 378.516 3.756 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000425520722 851502095 /nfs/dbraw/zinc/50/20/95/851502095.db2.gz RLNSSDVCFFSMJH-DLBZAZTESA-N 1 0 393.325 3.967 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000505806554 851548995 /nfs/dbraw/zinc/54/89/95/851548995.db2.gz IWSZBJVAAPLECJ-UHFFFAOYSA-N 1 0 391.515 3.525 20 30 GHEDRO CC(C)C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(C#N)cc1 ZINC000604494815 862256071 /nfs/dbraw/zinc/25/60/71/862256071.db2.gz HLZHNKPQPVPZNP-UHFFFAOYSA-N 1 0 379.508 3.967 20 30 GHEDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000550101628 851565672 /nfs/dbraw/zinc/56/56/72/851565672.db2.gz PYEYSLLXOWTRFS-LJQANCHMSA-N 1 0 389.565 3.604 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCN(C)c1ccccc1 ZINC000303248328 851568254 /nfs/dbraw/zinc/56/82/54/851568254.db2.gz BGSYONLHSZGZGM-GOSISDBHSA-N 1 0 382.483 3.529 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000425542353 851590602 /nfs/dbraw/zinc/59/06/02/851590602.db2.gz QTHRGGGKCYZDQU-DYESRHJHSA-N 1 0 380.488 3.728 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000437994261 851929738 /nfs/dbraw/zinc/92/97/38/851929738.db2.gz AGZOULOWRVPRNY-LDVJMBRRSA-N 1 0 397.563 3.664 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000438071417 851985857 /nfs/dbraw/zinc/98/58/57/851985857.db2.gz ZDPYEKNPNOHHKJ-UHFFFAOYSA-N 1 0 376.504 3.725 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000519573330 852125770 /nfs/dbraw/zinc/12/57/70/852125770.db2.gz YLGBYKMLIUVKNU-QRQCRPRQSA-N 1 0 375.472 3.554 20 30 GHEDRO C=CCCOCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000366689541 852173783 /nfs/dbraw/zinc/17/37/83/852173783.db2.gz PFWUKUJAOYIQAJ-UHFFFAOYSA-N 1 0 395.341 3.544 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[N@@H+]1C ZINC000489335784 852228530 /nfs/dbraw/zinc/22/85/30/852228530.db2.gz JDHJXRVFELQVNK-QFIPXVFZSA-N 1 0 377.488 3.957 20 30 GHEDRO C=CCOc1ccc(CN[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)cc1OC ZINC000414889874 852247752 /nfs/dbraw/zinc/24/77/52/852247752.db2.gz SWOAVLBDRNMHBN-SFTDATJTSA-N 1 0 382.504 3.504 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C)nn1-c1cc(C)ccn1)C(C)C ZINC000489364024 852254553 /nfs/dbraw/zinc/25/45/53/852254553.db2.gz IHPOLDQKXHIXTP-LJQANCHMSA-N 1 0 396.539 3.704 20 30 GHEDRO C[C@@H](Cn1ccc2ccccc21)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000506207924 852254872 /nfs/dbraw/zinc/25/48/72/852254872.db2.gz ZDIZQKWQGAGKEP-IBGZPJMESA-N 1 0 388.515 3.739 20 30 GHEDRO Cc1ccc(C(=O)C2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000329814410 862340302 /nfs/dbraw/zinc/34/03/02/862340302.db2.gz UMHZDJYJZSRSCV-SEJPIABJSA-N 1 0 383.536 3.819 20 30 GHEDRO CC[N@H+](CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)CCC(F)(F)F ZINC000425987377 852283089 /nfs/dbraw/zinc/28/30/89/852283089.db2.gz AHVBBRXSCDAKHK-QZTJIDSGSA-N 1 0 396.457 3.742 20 30 GHEDRO COc1cc(CNC(NCc2ccccc2)=[NH+]C(C)(C)C)cc(OC)c1OC ZINC000912498825 852308257 /nfs/dbraw/zinc/30/82/57/852308257.db2.gz JMBGPBJSPVBHJV-UHFFFAOYSA-N 1 0 385.508 3.746 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000438423093 852380286 /nfs/dbraw/zinc/38/02/86/852380286.db2.gz RZZLVUABXCZOJJ-MXVIHJGJSA-N 1 0 394.494 3.717 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901837 852493830 /nfs/dbraw/zinc/49/38/30/852493830.db2.gz WYDWTNDSOTWPBW-UXHICEINSA-N 1 0 377.488 3.723 20 30 GHEDRO Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000329860456 862378377 /nfs/dbraw/zinc/37/83/77/862378377.db2.gz XJMKZGULEPPMRZ-UHFFFAOYSA-N 1 0 396.535 3.547 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000426099998 852675007 /nfs/dbraw/zinc/67/50/07/852675007.db2.gz CTLDRMNBLIHJMI-GOSISDBHSA-N 1 0 387.405 3.726 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CCC)Cc1ccc(F)cc1 ZINC000669033499 852785482 /nfs/dbraw/zinc/78/54/82/852785482.db2.gz QKTWXLSUAQUYKA-UXHICEINSA-N 1 0 399.514 3.556 20 30 GHEDRO CN(Cc1ccc(C#N)cc1OC(F)F)Cc1ccccc1N1CCOCC1 ZINC000437149199 852797614 /nfs/dbraw/zinc/79/76/14/852797614.db2.gz KQIUZOWIEZHDLN-UHFFFAOYSA-N 1 0 387.430 3.628 20 30 GHEDRO O=C(Nc1ccccc1CN1CCSCC1)c1coc(C2CCOCC2)n1 ZINC000329899634 862407166 /nfs/dbraw/zinc/40/71/66/862407166.db2.gz FQRISWGFHGVJHA-UHFFFAOYSA-N 1 0 387.505 3.754 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000729475297 852956603 /nfs/dbraw/zinc/95/66/03/852956603.db2.gz QVWXVSDZPMALAO-RBUKOAKNSA-N 1 0 393.572 3.665 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029342250 852984211 /nfs/dbraw/zinc/98/42/11/852984211.db2.gz YRFADUAJIZPWLJ-IBGZPJMESA-N 1 0 391.515 3.874 20 30 GHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000669058261 853009714 /nfs/dbraw/zinc/00/97/14/853009714.db2.gz NPRFYIXKYZAYJM-NHCUHLMSSA-N 1 0 397.567 3.553 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)ccc1C#N ZINC000516880885 853112292 /nfs/dbraw/zinc/11/22/92/853112292.db2.gz CEZBMLQMVGSUTE-FOIQADDNSA-N 1 0 381.451 3.548 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)CC1 ZINC000507638571 853117195 /nfs/dbraw/zinc/11/71/95/853117195.db2.gz TUEAQZQUEOVFGA-WUZYXKQASA-N 1 0 386.442 3.698 20 30 GHEDRO COc1ccccc1NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(C)cc1 ZINC000186951649 862430671 /nfs/dbraw/zinc/43/06/71/862430671.db2.gz OPFJJJQIKXRTPN-UHFFFAOYSA-O 1 0 396.492 3.947 20 30 GHEDRO O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329932626 862435709 /nfs/dbraw/zinc/43/57/09/862435709.db2.gz IVFABLILLRWFQD-IRXDYDNUSA-N 1 0 385.443 3.515 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2C[C@@H](OC)C2)cc1OCC ZINC000623822007 862437470 /nfs/dbraw/zinc/43/74/70/862437470.db2.gz QBWXAHUEOXBISL-OTVXOJSOSA-N 1 0 384.314 3.927 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cc1c(F)cccc1C#N ZINC000507705895 853208657 /nfs/dbraw/zinc/20/86/57/853208657.db2.gz KRBXUVUOUPMHBF-QFIPXVFZSA-N 1 0 393.506 3.829 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)CC1 ZINC000517015061 853256812 /nfs/dbraw/zinc/25/68/12/853256812.db2.gz WHQUYJQRNCTERE-HXUWFJFHSA-N 1 0 381.524 3.840 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000329949016 862448462 /nfs/dbraw/zinc/44/84/62/862448462.db2.gz LFAWVWNQEPKJRK-GFOJFJKKSA-N 1 0 381.524 3.706 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473883974 853326395 /nfs/dbraw/zinc/32/63/95/853326395.db2.gz HQQCKVBOELDYOM-AVRDEDQJSA-N 1 0 376.504 3.925 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000437641737 853352850 /nfs/dbraw/zinc/35/28/50/853352850.db2.gz RNXFQNSNULYDPL-UNMCSNQZSA-N 1 0 385.552 3.699 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc(OC)c1 ZINC000491168205 853477836 /nfs/dbraw/zinc/47/78/36/853477836.db2.gz QKFPSDMVLPNASJ-UHFFFAOYSA-N 1 0 376.460 3.608 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000506532941 853503635 /nfs/dbraw/zinc/50/36/35/853503635.db2.gz RPDWIWCKWLUOCN-KRWDZBQOSA-N 1 0 379.479 3.788 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000519800035 853515478 /nfs/dbraw/zinc/51/54/78/853515478.db2.gz VSANDWSMXNXSIV-SFTDATJTSA-N 1 0 396.579 3.745 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000586806793 853537203 /nfs/dbraw/zinc/53/72/03/853537203.db2.gz MMVOXEVARYRJHP-UNWVZKJWSA-N 1 0 391.490 3.657 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000586814086 853541051 /nfs/dbraw/zinc/54/10/51/853541051.db2.gz GUBGYULFGDUKLF-SFTDATJTSA-N 1 0 395.453 3.819 20 30 GHEDRO COc1cc(CN(C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc(OC)c1 ZINC000518603422 853557169 /nfs/dbraw/zinc/55/71/69/853557169.db2.gz VGUVNBLPQGEYOF-UHFFFAOYSA-N 1 0 395.503 3.699 20 30 GHEDRO Cc1oc(C#N)cc1-c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000517261951 853560759 /nfs/dbraw/zinc/56/07/59/853560759.db2.gz QAPIWDXURSKACW-UHFFFAOYSA-N 1 0 397.866 3.972 20 30 GHEDRO CN1CC[C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000517264648 853594774 /nfs/dbraw/zinc/59/47/74/853594774.db2.gz NQEFXBWVXCTHEM-IFMALSPDSA-N 1 0 396.922 3.622 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000519903968 853614686 /nfs/dbraw/zinc/61/46/86/853614686.db2.gz KLPPZBGJDBZZNT-DEOSSOPVSA-N 1 0 381.479 3.822 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506565554 853622929 /nfs/dbraw/zinc/62/29/29/853622929.db2.gz VPJUQNKOFYJXPK-FUPPJEDESA-N 1 0 386.580 3.741 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c(O)c(OC)c1 ZINC000163913411 853626962 /nfs/dbraw/zinc/62/69/62/853626962.db2.gz DZOOYQFRAQBSEI-UHFFFAOYSA-N 1 0 394.515 3.786 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC(C)(C)C)cc1 ZINC000055015321 853629933 /nfs/dbraw/zinc/62/99/33/853629933.db2.gz PRVCSPAWUCLDAG-UHFFFAOYSA-O 1 0 399.536 3.635 20 30 GHEDRO C[C@H](Oc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044566301 853661622 /nfs/dbraw/zinc/66/16/22/853661622.db2.gz PUHFVCKZNRBONN-INIZCTEOSA-N 1 0 385.895 3.569 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000437955784 853722113 /nfs/dbraw/zinc/72/21/13/853722113.db2.gz QZIPQXAUDKKZDK-OAHLLOKOSA-N 1 0 378.423 3.546 20 30 GHEDRO CCC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(F)c1)Cc1ccc(C#N)cc1 ZINC000047726391 862503309 /nfs/dbraw/zinc/50/33/09/862503309.db2.gz CBUSBQPAMJNYLD-UHFFFAOYSA-N 1 0 383.467 3.577 20 30 GHEDRO C=CCC1(CNC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)CCCC1 ZINC000520205023 853953875 /nfs/dbraw/zinc/95/38/75/853953875.db2.gz XKHHOKIIMMWBAP-UHFFFAOYSA-N 1 0 399.583 3.902 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000520237589 853982798 /nfs/dbraw/zinc/98/27/98/853982798.db2.gz UJSOQAIMNSUUTK-HXUWFJFHSA-N 1 0 397.906 3.761 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c1O ZINC000164450435 854011049 /nfs/dbraw/zinc/01/10/49/854011049.db2.gz GRTMJHPDLWLIMB-OAHLLOKOSA-N 1 0 386.458 3.835 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441282689 854052437 /nfs/dbraw/zinc/05/24/37/854052437.db2.gz HXAJZSCBIBHIAU-KZNAEPCWSA-N 1 0 387.549 3.625 20 30 GHEDRO N#CC1CCC(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000441332772 854119625 /nfs/dbraw/zinc/11/96/25/854119625.db2.gz KVJQEOAMSICJBZ-UHFFFAOYSA-N 1 0 390.215 3.989 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000520387612 854159791 /nfs/dbraw/zinc/15/97/91/854159791.db2.gz YOASOXVXNDILSQ-FXAWDEMLSA-N 1 0 385.533 3.602 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588746549 854375689 /nfs/dbraw/zinc/37/56/89/854375689.db2.gz JTHBEEQXMMYDGB-SFHVURJKSA-N 1 0 379.464 3.741 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000895005793 854377787 /nfs/dbraw/zinc/37/77/87/854377787.db2.gz IEOBSNUBYLFGEE-HKUYNNGSSA-N 1 0 390.524 3.518 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000458890484 854468882 /nfs/dbraw/zinc/46/88/82/854468882.db2.gz UFMBWKUJKONGDS-JOCHJYFZSA-N 1 0 394.494 3.848 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4ccccc4)C3)CC2)cc1 ZINC000328624150 854485617 /nfs/dbraw/zinc/48/56/17/854485617.db2.gz ZKOBDNHLRXWKJV-YHBQERECSA-N 1 0 388.515 3.926 20 30 GHEDRO O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328651861 854489689 /nfs/dbraw/zinc/48/96/89/854489689.db2.gz KBAMCULEPZSSIV-SJORKVTESA-N 1 0 392.475 3.965 20 30 GHEDRO Cc1c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)nnn1-c1ccccc1 ZINC000328659077 854492929 /nfs/dbraw/zinc/49/29/29/854492929.db2.gz SCDCYFZSKCNCKN-UHFFFAOYSA-N 1 0 381.524 3.923 20 30 GHEDRO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328663747 854495219 /nfs/dbraw/zinc/49/52/19/854495219.db2.gz YDDULNLERHNYAA-INIZCTEOSA-N 1 0 392.569 3.781 20 30 GHEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328722420 854504091 /nfs/dbraw/zinc/50/40/91/854504091.db2.gz XMVBJBUVHXJCHX-HKBOAZHASA-N 1 0 397.567 3.751 20 30 GHEDRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cn2c(n1)CCCC2 ZINC000328703804 854515618 /nfs/dbraw/zinc/51/56/18/854515618.db2.gz KHBNZPVTHGEOSB-INIZCTEOSA-N 1 0 392.425 3.817 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000328712365 854518727 /nfs/dbraw/zinc/51/87/27/854518727.db2.gz BORVKGPDZDSTFN-HNNXBMFYSA-N 1 0 375.513 3.503 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3cn(Cc4ccccc4)nn3)CC2)CC1 ZINC000328737128 854521873 /nfs/dbraw/zinc/52/18/73/854521873.db2.gz KCVFNVFOPNFKHN-UHFFFAOYSA-N 1 0 396.539 3.695 20 30 GHEDRO Cc1nc(-c2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)cc(=O)[nH]1 ZINC000330101984 862576927 /nfs/dbraw/zinc/57/69/27/862576927.db2.gz FUJBAKPEUATPCK-UHFFFAOYSA-N 1 0 395.507 3.891 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21)NC(=O)NC1CCCCC1 ZINC000328798202 854561176 /nfs/dbraw/zinc/56/11/76/854561176.db2.gz FVEOZYYJRFLKAF-QGZVFWFLSA-N 1 0 383.496 3.704 20 30 GHEDRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1cc2ccccc2o1 ZINC000328863349 854584446 /nfs/dbraw/zinc/58/44/46/854584446.db2.gz ZFTSKBWZIXDRNS-JAQSECSASA-N 1 0 386.492 3.701 20 30 GHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000328938991 854609442 /nfs/dbraw/zinc/60/94/42/854609442.db2.gz KGAVZTMNXBCNCN-FGTMMUONSA-N 1 0 385.533 3.748 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)C1 ZINC000328953060 854615207 /nfs/dbraw/zinc/61/52/07/854615207.db2.gz MGSXZRMYYLINPP-RSPOEFSDSA-N 1 0 384.524 3.567 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000328952120 854615260 /nfs/dbraw/zinc/61/52/60/854615260.db2.gz CUUGIBGEZCVMEI-SFTDATJTSA-N 1 0 383.536 3.737 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)[NH+]2CCCC2)cc1 ZINC000328992807 854644598 /nfs/dbraw/zinc/64/45/98/854644598.db2.gz SUTGCMDJAYAOQC-HBMCJLEFSA-N 1 0 398.551 3.877 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000458917954 854692589 /nfs/dbraw/zinc/69/25/89/854692589.db2.gz OSFMVRVIWSROMR-LJQANCHMSA-N 1 0 394.544 3.521 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](C(=O)N4CCCC4)C3)c2)c1 ZINC000589205398 854749357 /nfs/dbraw/zinc/74/93/57/854749357.db2.gz PIKQOPUXHZMSIJ-QFIPXVFZSA-N 1 0 389.499 3.582 20 30 GHEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330135445 862604341 /nfs/dbraw/zinc/60/43/41/862604341.db2.gz MUZDVYKYVOIDFJ-NYUBLWNDSA-N 1 0 382.508 3.698 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)CC2 ZINC000589338079 854797217 /nfs/dbraw/zinc/79/72/17/854797217.db2.gz SIHFNDGLDPHQQE-VQIMIIECSA-N 1 0 376.378 3.594 20 30 GHEDRO CC1CCC([N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]2CCCO2)CC1 ZINC000441453206 854932080 /nfs/dbraw/zinc/93/20/80/854932080.db2.gz QWGVRDZDCABXAX-QETWGEEDSA-N 1 0 383.536 3.993 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000441453980 854948629 /nfs/dbraw/zinc/94/86/29/854948629.db2.gz WFGSWMYDSORUDP-JOCHJYFZSA-N 1 0 383.536 3.974 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1[C@@H](C)CCC ZINC000669334603 855031103 /nfs/dbraw/zinc/03/11/03/855031103.db2.gz CGUBGGOHYFTPRE-NMLBUPMWSA-N 1 0 387.572 3.795 20 30 GHEDRO CC[C@@]1(C)COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000536360670 855120289 /nfs/dbraw/zinc/12/02/89/855120289.db2.gz DLBODAHFTLPFEW-FQEVSTJZSA-N 1 0 375.538 3.718 20 30 GHEDRO Cc1cc(C#N)nc(NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)n1 ZINC000553586081 855123051 /nfs/dbraw/zinc/12/30/51/855123051.db2.gz HQFPLQJERZKYHY-MRXNPFEDSA-N 1 0 397.832 3.769 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)c1cccc(OC)c1 ZINC000105644363 855128882 /nfs/dbraw/zinc/12/88/82/855128882.db2.gz RCWULOMBZJZMGU-NRFANRHFSA-N 1 0 398.482 3.588 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000054538687 855165529 /nfs/dbraw/zinc/16/55/29/855165529.db2.gz OHBPMGXPTFGABZ-UHFFFAOYSA-N 1 0 396.491 3.608 20 30 GHEDRO CCOC(=O)N1CCC([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186428520 855235042 /nfs/dbraw/zinc/23/50/42/855235042.db2.gz BSDRHJGYBLKKQQ-HNNXBMFYSA-N 1 0 382.426 3.904 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000057154668 855253067 /nfs/dbraw/zinc/25/30/67/855253067.db2.gz RRYQAIBSRWSEON-HXUWFJFHSA-N 1 0 378.476 3.597 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000055032666 855255605 /nfs/dbraw/zinc/25/56/05/855255605.db2.gz YFWJLVSEHFQGOF-UHFFFAOYSA-N 1 0 378.476 3.613 20 30 GHEDRO C=CCC1(CNC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)CCCC1 ZINC000459043932 855346987 /nfs/dbraw/zinc/34/69/87/855346987.db2.gz BWTINMWVFOJBDI-UHFFFAOYSA-N 1 0 384.568 3.866 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000624124231 862671454 /nfs/dbraw/zinc/67/14/54/862671454.db2.gz AQJDPIXULNGGKP-UNMCSNQZSA-N 1 0 397.563 3.523 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000465623108 855409065 /nfs/dbraw/zinc/40/90/65/855409065.db2.gz GQTZKPCAINASFP-VXKWHMMOSA-N 1 0 376.504 3.730 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055934491 855434157 /nfs/dbraw/zinc/43/41/57/855434157.db2.gz POIGHMRHCIYZRS-HNNXBMFYSA-N 1 0 376.932 3.592 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000330232689 862680702 /nfs/dbraw/zinc/68/07/02/862680702.db2.gz FQIFRNKBORLLJQ-FQEVSTJZSA-N 1 0 381.524 3.848 20 30 GHEDRO C[N@H+](CCCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465639561 855468033 /nfs/dbraw/zinc/46/80/33/855468033.db2.gz VOXFUZONYBTKHU-DHIUTWEWSA-N 1 0 390.531 3.990 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc4cc(Cl)cnc4o3)C2=O)cc1 ZINC000590648982 855532168 /nfs/dbraw/zinc/53/21/68/855532168.db2.gz NZTJRBYOHATWCZ-SFHVURJKSA-N 1 0 380.835 3.638 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000590744933 855577922 /nfs/dbraw/zinc/57/79/22/855577922.db2.gz HSLFBNITXSVGTI-JKDFXYPNSA-N 1 0 384.293 3.682 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400575 855635062 /nfs/dbraw/zinc/63/50/62/855635062.db2.gz VUAFCHBPSKDPKS-OXJNMPFZSA-N 1 0 378.944 3.899 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000590947192 855669539 /nfs/dbraw/zinc/66/95/39/855669539.db2.gz GLCUOQUICWXLCB-QGZVFWFLSA-N 1 0 380.467 3.503 20 30 GHEDRO N#Cc1cccc(Cl)c1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000301360905 855680002 /nfs/dbraw/zinc/68/00/02/855680002.db2.gz AGXCMIMWCPLSCO-GOSISDBHSA-N 1 0 382.895 3.521 20 30 GHEDRO C[NH+](C)[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1cccc(F)c1 ZINC000301362062 855680051 /nfs/dbraw/zinc/68/00/51/855680051.db2.gz QNVICZAOGGNYSE-IBGZPJMESA-N 1 0 379.395 3.869 20 30 GHEDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000301410072 855689799 /nfs/dbraw/zinc/68/97/99/855689799.db2.gz XMZXUGHHRULNRJ-HNNXBMFYSA-N 1 0 389.425 3.595 20 30 GHEDRO N#Cc1ccnc(N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000301637651 855730112 /nfs/dbraw/zinc/73/01/12/855730112.db2.gz FNPNBVOVRCQOLT-HNNXBMFYSA-N 1 0 389.818 3.730 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000301991545 855797211 /nfs/dbraw/zinc/79/72/11/855797211.db2.gz PVKDUNWIVPHCLV-GJZGRUSLSA-N 1 0 381.442 3.903 20 30 GHEDRO CC(=O)c1ccc(C#N)cc1NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000302027871 855802666 /nfs/dbraw/zinc/80/26/66/855802666.db2.gz AQAHAGPGQDPBNF-CALCHBBNSA-N 1 0 377.488 3.982 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465754203 855860331 /nfs/dbraw/zinc/86/03/31/855860331.db2.gz NAAXGRWZJWVZQL-NRSPTQNISA-N 1 0 382.552 3.978 20 30 GHEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1 ZINC000591278285 855881006 /nfs/dbraw/zinc/88/10/06/855881006.db2.gz CPIKMHNIOBITAZ-QMIHWGKISA-N 1 0 398.894 3.575 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591282089 855882700 /nfs/dbraw/zinc/88/27/00/855882700.db2.gz FSFDKOHBHVFOOR-LAUBAEHRSA-N 1 0 376.460 3.875 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000591306538 855900762 /nfs/dbraw/zinc/90/07/62/855900762.db2.gz CRTSOKXLLHEOSS-LSDHHAIUSA-N 1 0 391.313 3.564 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591308984 855902849 /nfs/dbraw/zinc/90/28/49/855902849.db2.gz NPJLPJRAPLXSMG-BEFAXECRSA-N 1 0 378.501 3.925 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1Br)c1ccccc1 ZINC000591317356 855907361 /nfs/dbraw/zinc/90/73/61/855907361.db2.gz FNVHBJLOGFLZOB-ROUUACIJSA-N 1 0 386.293 3.823 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000181056091 862734799 /nfs/dbraw/zinc/73/47/99/862734799.db2.gz JIYUDLUQFNDWNC-QGZVFWFLSA-N 1 0 393.434 3.919 20 30 GHEDRO C[C@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591356579 855950397 /nfs/dbraw/zinc/95/03/97/855950397.db2.gz AGDQBINMAOMZRC-ROUUACIJSA-N 1 0 376.504 3.975 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000172160222 856003696 /nfs/dbraw/zinc/00/36/96/856003696.db2.gz VOYKZOWQIGBSIJ-UHFFFAOYSA-N 1 0 380.467 3.633 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccco1 ZINC000171230569 856047435 /nfs/dbraw/zinc/04/74/35/856047435.db2.gz PIQMSTOGCKZDBF-HNNXBMFYSA-N 1 0 392.406 3.957 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000171231095 856054735 /nfs/dbraw/zinc/05/47/35/856054735.db2.gz FMZLXTFIODOZRM-CQSZACIVSA-N 1 0 380.439 3.936 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591552539 856145996 /nfs/dbraw/zinc/14/59/96/856145996.db2.gz ZUKJTHWKNNZJSR-IBGZPJMESA-N 1 0 393.453 3.717 20 30 GHEDRO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000591763940 856231782 /nfs/dbraw/zinc/23/17/82/856231782.db2.gz RYAPLKYZJNLKFY-FMGXZMDRSA-N 1 0 378.472 3.617 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3sc(N(CC)CC)nc3s2)CC1 ZINC000171715861 856241368 /nfs/dbraw/zinc/24/13/68/856241368.db2.gz SFVANRSEPLXMSK-UHFFFAOYSA-N 1 0 378.567 3.584 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485263220 856279362 /nfs/dbraw/zinc/27/93/62/856279362.db2.gz WBPJMMNRJNAOQE-VGSWGCGISA-N 1 0 377.488 3.673 20 30 GHEDRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCOc3ccc(C#N)cc3)o2)cc1 ZINC000482205014 862805822 /nfs/dbraw/zinc/80/58/22/862805822.db2.gz CCMSECCORBPBKC-UHFFFAOYSA-N 1 0 376.412 3.773 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000895132404 856554308 /nfs/dbraw/zinc/55/43/08/856554308.db2.gz SQRGHFSINDUBAM-WFMNFSIZSA-N 1 0 380.536 3.669 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(CC#N)cc1 ZINC000592025959 856627630 /nfs/dbraw/zinc/62/76/30/856627630.db2.gz IZAJLWBASYQZFE-LJQANCHMSA-N 1 0 376.504 3.559 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2cccc(OCc3cccc(C)c3)c2)CC1 ZINC000592068438 856650944 /nfs/dbraw/zinc/65/09/44/856650944.db2.gz HUHLIZXAUQCARF-UHFFFAOYSA-N 1 0 378.516 3.883 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C1(CO)CC=CC1 ZINC000592179288 856680632 /nfs/dbraw/zinc/68/06/32/856680632.db2.gz LSQPJUHHBIJUMC-FQEVSTJZSA-N 1 0 389.927 3.530 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000592185092 856684593 /nfs/dbraw/zinc/68/45/93/856684593.db2.gz VNCADYQSYGHIIL-UXHICEINSA-N 1 0 383.536 3.830 20 30 GHEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000111055617 856760825 /nfs/dbraw/zinc/76/08/25/856760825.db2.gz SGYDIKRPLAHNAS-MOPGFXCFSA-N 1 0 379.508 3.877 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Cc1ccc(F)cc1C ZINC000592391603 856829106 /nfs/dbraw/zinc/82/91/06/856829106.db2.gz IHENXPINUQMJHP-DENIHFKCSA-N 1 0 379.479 3.578 20 30 GHEDRO CCCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1snc(C)c1C#N ZINC000906175771 856882201 /nfs/dbraw/zinc/88/22/01/856882201.db2.gz YGZARWIIBCFXLL-UHFFFAOYSA-N 1 0 383.521 3.686 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)CC1 ZINC000592526134 856920554 /nfs/dbraw/zinc/92/05/54/856920554.db2.gz PYFPHWXXGHVXAY-UHFFFAOYSA-N 1 0 387.568 3.949 20 30 GHEDRO N#Cc1sc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)nc1Cl ZINC000888406488 856949334 /nfs/dbraw/zinc/94/93/34/856949334.db2.gz BTHDHKXNWSDRMR-SNVBAGLBSA-N 1 0 381.914 3.688 20 30 GHEDRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330312288 862859268 /nfs/dbraw/zinc/85/92/68/862859268.db2.gz WHTKJANWTVICHQ-KRWDZBQOSA-N 1 0 385.512 3.544 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413221096 857021635 /nfs/dbraw/zinc/02/16/35/857021635.db2.gz RVCNZFSXFWDSQN-UHFFFAOYSA-N 1 0 384.446 3.547 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000733327746 862869547 /nfs/dbraw/zinc/86/95/47/862869547.db2.gz AIKPEGXTHUIZPL-QFIPXVFZSA-N 1 0 384.907 3.515 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(C#N)cc1 ZINC000063753972 857050447 /nfs/dbraw/zinc/05/04/47/857050447.db2.gz QWNMHXWCIZWSRE-UHFFFAOYSA-N 1 0 389.858 3.828 20 30 GHEDRO CC(C)[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000063750853 857050487 /nfs/dbraw/zinc/05/04/87/857050487.db2.gz CYTTZMXMKROQKC-UHFFFAOYSA-N 1 0 393.409 3.953 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000733324759 862866148 /nfs/dbraw/zinc/86/61/48/862866148.db2.gz BALZUJSKCONYFU-ROUUACIJSA-N 1 0 382.479 3.741 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000173824086 857165150 /nfs/dbraw/zinc/16/51/50/857165150.db2.gz CDXCCVWSGJVOCO-HZPDHXFCSA-N 1 0 399.466 3.829 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173858803 857169453 /nfs/dbraw/zinc/16/94/53/857169453.db2.gz FYHUJDCAMHJASY-GJZGRUSLSA-N 1 0 383.423 3.540 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3c(C#N)cccc3[N+](=O)[O-])C2)s1 ZINC000593031533 857186341 /nfs/dbraw/zinc/18/63/41/857186341.db2.gz ZTHQYNWBFMDQTA-INIZCTEOSA-N 1 0 384.505 3.790 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)c2)c1 ZINC000246102181 857234361 /nfs/dbraw/zinc/23/43/61/857234361.db2.gz JHPXXKRIZQSEHF-YADHBBJMSA-N 1 0 380.513 3.844 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000921962088 857329005 /nfs/dbraw/zinc/32/90/05/857329005.db2.gz WCEJRQMHVOVWFI-NZQKXSOJSA-N 1 0 388.515 3.682 20 30 GHEDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000246269958 857332955 /nfs/dbraw/zinc/33/29/55/857332955.db2.gz ATGHSYUHPUIGCB-HOTGVXAUSA-N 1 0 389.565 3.822 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+](Cc1cccnc1)C1CC1)CCCC2 ZINC000174974609 857417247 /nfs/dbraw/zinc/41/72/47/857417247.db2.gz HMIHWWPYLQKCPF-UHFFFAOYSA-N 1 0 380.517 3.887 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccc(-n3cccn3)cc2)c(-c2ccccc2)n1 ZINC000113319236 857425932 /nfs/dbraw/zinc/42/59/32/857425932.db2.gz GICLAMMKGYNKRC-UHFFFAOYSA-N 1 0 396.498 3.982 20 30 GHEDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)[C@H]2C1 ZINC000246787551 857461867 /nfs/dbraw/zinc/46/18/67/857461867.db2.gz QKDFURNAHKRFMN-YFNKSVMNSA-N 1 0 392.499 3.906 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000042931761 857463900 /nfs/dbraw/zinc/46/39/00/857463900.db2.gz FPEBIFGBGNYZAZ-UHFFFAOYSA-N 1 0 382.895 3.629 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521003526 857482580 /nfs/dbraw/zinc/48/25/80/857482580.db2.gz RMQXEJYLXOIZSL-GOSISDBHSA-N 1 0 381.451 3.947 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cccc(CC#N)c3)cc2)CC1 ZINC000172488839 857484971 /nfs/dbraw/zinc/48/49/71/857484971.db2.gz IXQQAOUPMZGLOH-UHFFFAOYSA-N 1 0 376.504 3.783 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442093208 857500789 /nfs/dbraw/zinc/50/07/89/857500789.db2.gz WOFYUOFGBXXDAK-UHFFFAOYSA-N 1 0 382.386 3.619 20 30 GHEDRO N#CC[C@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593350653 857513696 /nfs/dbraw/zinc/51/36/96/857513696.db2.gz DJXDLLAYFJVVNO-JOCHJYFZSA-N 1 0 386.499 3.726 20 30 GHEDRO C[C@H](NC(=O)Nc1nc(Cl)c(C#N)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000888417897 857518527 /nfs/dbraw/zinc/51/85/27/857518527.db2.gz RMOZOALBDPJZOT-GXTWGEPZSA-N 1 0 389.912 3.700 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000486178681 857519166 /nfs/dbraw/zinc/51/91/66/857519166.db2.gz REYGTKKAAMBXPQ-QGZVFWFLSA-N 1 0 398.320 3.989 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000648716357 857631436 /nfs/dbraw/zinc/63/14/36/857631436.db2.gz FJMLEKFPGMZRJS-KRWDZBQOSA-N 1 0 375.925 3.976 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)CC2 ZINC000593720059 857667007 /nfs/dbraw/zinc/66/70/07/857667007.db2.gz FPGFVASRQIOLIR-QFIPXVFZSA-N 1 0 391.515 3.817 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000624353914 857742589 /nfs/dbraw/zinc/74/25/89/857742589.db2.gz CRQGHWPMQJOPDY-MOPGFXCFSA-N 1 0 385.508 3.541 20 30 GHEDRO C=C(Br)CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157884070 857791059 /nfs/dbraw/zinc/79/10/59/857791059.db2.gz MCDWZSGJJQIQKH-NVXWUHKLSA-N 1 0 380.330 3.590 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000593885665 862954451 /nfs/dbraw/zinc/95/44/51/862954451.db2.gz JVYAWTBHJFSZGV-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO N#CC1(CCC[NH2+][C@@H](CCO)c2ccccc2Br)CCOCC1 ZINC000499622850 857835240 /nfs/dbraw/zinc/83/52/40/857835240.db2.gz BXBSLZLJMUWVLC-KRWDZBQOSA-N 1 0 381.314 3.563 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCCCO1 ZINC000594042376 857851094 /nfs/dbraw/zinc/85/10/94/857851094.db2.gz IOCOADBKZWHZEN-RTBURBONSA-N 1 0 377.916 3.832 20 30 GHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1OC ZINC000059001348 857905066 /nfs/dbraw/zinc/90/50/66/857905066.db2.gz XAGBSTLHROQHKR-UHFFFAOYSA-N 1 0 386.467 3.603 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000676536865 857930696 /nfs/dbraw/zinc/93/06/96/857930696.db2.gz CNAQATKDYGYXBS-IBGZPJMESA-N 1 0 396.535 3.535 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000114197216 857936905 /nfs/dbraw/zinc/93/69/05/857936905.db2.gz LQLPDGAYTNBCJL-UHFFFAOYSA-N 1 0 376.932 3.594 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000114233285 857951072 /nfs/dbraw/zinc/95/10/72/857951072.db2.gz YPBJUWJYRHXICX-UHFFFAOYSA-N 1 0 391.471 3.655 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000066389419 858103694 /nfs/dbraw/zinc/10/36/94/858103694.db2.gz FRCPQJQKCPWZSH-MRXNPFEDSA-N 1 0 397.906 3.877 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000543061175 858140702 /nfs/dbraw/zinc/14/07/02/858140702.db2.gz TUIURQAQFCPKBV-HXUWFJFHSA-N 1 0 393.535 3.711 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000442863105 858182859 /nfs/dbraw/zinc/18/28/59/858182859.db2.gz CESBVPOLWFONTP-WMZOPIPTSA-N 1 0 379.460 3.608 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000442875680 858191204 /nfs/dbraw/zinc/19/12/04/858191204.db2.gz OOTABFQFHYUDMV-OLUVUFQESA-N 1 0 377.204 3.783 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000521783355 858323096 /nfs/dbraw/zinc/32/30/96/858323096.db2.gz OKQDCUMYFAZBMX-UHFFFAOYSA-N 1 0 378.520 3.988 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CCOCC2)c1 ZINC000594985473 858358036 /nfs/dbraw/zinc/35/80/36/858358036.db2.gz XNNPWNYGGAHEAI-UHFFFAOYSA-N 1 0 376.435 3.679 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccncc2s1 ZINC000595040135 858376568 /nfs/dbraw/zinc/37/65/68/858376568.db2.gz HGJLAPAZZBLAKL-KSSFIOAISA-N 1 0 376.485 3.620 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC2)cc1 ZINC000595271571 858458760 /nfs/dbraw/zinc/45/87/60/858458760.db2.gz SFFXWUJSKRJPMK-DHIUTWEWSA-N 1 0 386.499 3.503 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1OC ZINC000067249258 858497831 /nfs/dbraw/zinc/49/78/31/858497831.db2.gz DSLGEPUCVAQJKK-UHFFFAOYSA-N 1 0 390.483 3.760 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000115384289 858515908 /nfs/dbraw/zinc/51/59/08/858515908.db2.gz YDCLSWRILSSBAK-UHFFFAOYSA-N 1 0 391.515 3.941 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000595443711 858531345 /nfs/dbraw/zinc/53/13/45/858531345.db2.gz HTPLDLUHBZHYGF-HSALFYBXSA-N 1 0 382.552 4.000 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000115442644 858532501 /nfs/dbraw/zinc/53/25/01/858532501.db2.gz CJSJVOLKVPRMLP-SFHVURJKSA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509668 858549020 /nfs/dbraw/zinc/54/90/20/858549020.db2.gz HAYWQEFYBXOVGC-INIZCTEOSA-N 1 0 396.922 3.793 20 30 GHEDRO N#CCc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 ZINC000543138597 858572397 /nfs/dbraw/zinc/57/23/97/858572397.db2.gz FKRSBRYAKVSTRE-UHFFFAOYSA-N 1 0 383.879 3.962 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)C(C)C ZINC000046905728 858599384 /nfs/dbraw/zinc/59/93/84/858599384.db2.gz DDKOEGKMEMUYHX-UWJYYQICSA-N 1 0 398.551 3.630 20 30 GHEDRO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639058 858625895 /nfs/dbraw/zinc/62/58/95/858625895.db2.gz GAWPCINEYJGDFR-UHFFFAOYSA-N 1 0 376.504 3.930 20 30 GHEDRO COc1cc(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c(OC)cc1Cl ZINC000595639517 858634597 /nfs/dbraw/zinc/63/45/97/858634597.db2.gz LIZPEXXGXCYRLP-UHFFFAOYSA-N 1 0 387.867 3.692 20 30 GHEDRO COc1ccc([C@@H](NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)C(C)C)cc1 ZINC000595642739 858635773 /nfs/dbraw/zinc/63/57/73/858635773.db2.gz RUFIDJWLSHOJQC-QFIPXVFZSA-N 1 0 379.504 3.905 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC(c4ccco4)CC3)CC2)c1 ZINC000595654327 858639056 /nfs/dbraw/zinc/63/90/56/858639056.db2.gz TWAMOJGCTJQFDF-UHFFFAOYSA-N 1 0 392.503 3.705 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1[C@H](C)CO ZINC000595674620 858645497 /nfs/dbraw/zinc/64/54/97/858645497.db2.gz MHNKZOUCEORKGB-NUJGCVRESA-N 1 0 375.538 3.502 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H](C)[C@@H]2CCO)c1C#N ZINC000595695860 858650581 /nfs/dbraw/zinc/65/05/81/858650581.db2.gz INIKWDAEANFSSS-QRWLVFNGSA-N 1 0 386.540 3.513 20 30 GHEDRO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595763684 858663462 /nfs/dbraw/zinc/66/34/62/858663462.db2.gz AVYXJCSHCALAIS-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595789740 858689015 /nfs/dbraw/zinc/68/90/15/858689015.db2.gz NNCVBWRTOSZQGV-UNMCSNQZSA-N 1 0 383.536 3.831 20 30 GHEDRO CC1(C)C[C@@]1([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000595908341 858713992 /nfs/dbraw/zinc/71/39/92/858713992.db2.gz HXVKYAQEJUEURM-HSZRJFAPSA-N 1 0 385.471 3.597 20 30 GHEDRO COCC1([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCCC1 ZINC000595909458 858715323 /nfs/dbraw/zinc/71/53/23/858715323.db2.gz ODZVYPLHYHHBSU-MRXNPFEDSA-N 1 0 375.538 3.958 20 30 GHEDRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000595969454 858735188 /nfs/dbraw/zinc/73/51/88/858735188.db2.gz FRGFJSJBZDTWMH-FUHWJXTLSA-N 1 0 383.414 3.530 20 30 GHEDRO N#CCN1CCC([NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000596093313 858782171 /nfs/dbraw/zinc/78/21/71/858782171.db2.gz HMHDNNOSBVFKPI-MRXNPFEDSA-N 1 0 380.355 3.954 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000922984766 858912766 /nfs/dbraw/zinc/91/27/66/858912766.db2.gz NELCDNFIGHRFDH-LJQANCHMSA-N 1 0 377.410 3.878 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000028922684 858913776 /nfs/dbraw/zinc/91/37/76/858913776.db2.gz DXWSEHIGNLRNOV-KSSFIOAISA-N 1 0 378.394 3.862 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC(C)(C)c2cccc(C#N)c2)CC1 ZINC000596503912 858916252 /nfs/dbraw/zinc/91/62/52/858916252.db2.gz FYCZNYJYICVPIX-QGZVFWFLSA-N 1 0 391.519 3.713 20 30 GHEDRO C[NH+](C)CCC[C@@H]1CN(c2c(Br)cc(Cl)cc2C#N)CCO1 ZINC000596565976 858936362 /nfs/dbraw/zinc/93/63/62/858936362.db2.gz JPTJQNOESWTNPU-CQSZACIVSA-N 1 0 386.721 3.521 20 30 GHEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C12CCOCC2 ZINC000923033837 858969178 /nfs/dbraw/zinc/96/91/78/858969178.db2.gz KYTVGPFUXNDDNA-YADHBBJMSA-N 1 0 397.563 3.869 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522304868 858985037 /nfs/dbraw/zinc/98/50/37/858985037.db2.gz FWNOZEPSMVHZNN-HNNXBMFYSA-N 1 0 396.304 3.523 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000060269518 858998932 /nfs/dbraw/zinc/99/89/32/858998932.db2.gz XEGOJODHWAPKFB-OAQYLSRUSA-N 1 0 381.451 3.707 20 30 GHEDRO CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H]1CC[N@H+](CC)C1 ZINC000596677784 859000331 /nfs/dbraw/zinc/00/03/31/859000331.db2.gz FGAVZUTVQRCMJU-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)nc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170330250 881369702 /nfs/dbraw/zinc/36/97/02/881369702.db2.gz JMRNNGHEFSTGDX-QKDCVEJESA-N 1 0 388.302 3.684 20 30 GHEDRO Cc1c(F)c(F)ccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593223434 859027906 /nfs/dbraw/zinc/02/79/06/859027906.db2.gz TYHSHJXBPIVDDA-UHFFFAOYSA-N 1 0 384.430 3.931 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596733981 859032438 /nfs/dbraw/zinc/03/24/38/859032438.db2.gz MDLWUAKSUKLKSL-IAGOWNOFSA-N 1 0 390.553 3.513 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466300836 859056670 /nfs/dbraw/zinc/05/66/70/859056670.db2.gz YDURAOWQYGXVOW-QFIPXVFZSA-N 1 0 382.552 3.990 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC[C@H]21 ZINC000248173112 859084288 /nfs/dbraw/zinc/08/42/88/859084288.db2.gz VCCPZCWMOJGFKS-NZQKXSOJSA-N 1 0 389.499 3.694 20 30 GHEDRO C[C@H](CCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)[NH+](C)C ZINC000596899286 859135136 /nfs/dbraw/zinc/13/51/36/859135136.db2.gz DKFZGUZINVFGCW-OAHLLOKOSA-N 1 0 382.512 3.503 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483101244 859137170 /nfs/dbraw/zinc/13/71/70/859137170.db2.gz IGGVUTXJEWLRSC-IEBWSBKVSA-N 1 0 395.478 3.959 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@H](CC#N)C2)CC1 ZINC000596928768 859158631 /nfs/dbraw/zinc/15/86/31/859158631.db2.gz HLUHLFZRZGTRPS-OAHLLOKOSA-N 1 0 390.915 3.971 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000596909184 859163262 /nfs/dbraw/zinc/16/32/62/859163262.db2.gz DKHQWBRJJGVOSI-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CCCN(C(=O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000596979068 859208970 /nfs/dbraw/zinc/20/89/70/859208970.db2.gz HLDHVHFMSQDXPL-UHFFFAOYSA-N 1 0 377.463 3.729 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429383824 859209188 /nfs/dbraw/zinc/20/91/88/859209188.db2.gz RVTCKPXXRYHGEB-ACJLOTCBSA-N 1 0 392.341 3.670 20 30 GHEDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597000626 859237791 /nfs/dbraw/zinc/23/77/91/859237791.db2.gz OPPZWLKYGOXJRK-UHFFFAOYSA-N 1 0 398.528 3.546 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1F ZINC000593296966 859322739 /nfs/dbraw/zinc/32/27/39/859322739.db2.gz GPHBPLBLFQGELZ-OAHLLOKOSA-N 1 0 398.457 3.861 20 30 GHEDRO CC[N@H+](CC(=O)NCCOc1cccc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469443 859323687 /nfs/dbraw/zinc/32/36/87/859323687.db2.gz MZSQORMQAQNLKW-MRXNPFEDSA-N 1 0 385.895 3.790 20 30 GHEDRO CC[N@H+](CC(=O)N(C)CCOc1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000060469599 859324263 /nfs/dbraw/zinc/32/42/63/859324263.db2.gz JKYIUNMIGYXETQ-QGZVFWFLSA-N 1 0 383.467 3.618 20 30 GHEDRO CC(C)[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccc(C#N)cc1 ZINC000069071057 859328641 /nfs/dbraw/zinc/32/86/41/859328641.db2.gz KNWSZVQPTLULFI-QFIPXVFZSA-N 1 0 395.478 3.508 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(-c2ccncc2)n1 ZINC000597224768 859375235 /nfs/dbraw/zinc/37/52/35/859375235.db2.gz JUESNDDIXFVNLM-TZIWHRDSSA-N 1 0 379.508 3.640 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000597289661 859411342 /nfs/dbraw/zinc/41/13/42/859411342.db2.gz DAPHPMVQTDNASJ-KZULUSFZSA-N 1 0 375.444 3.711 20 30 GHEDRO Cc1cccc(CO[C@H](C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000601656018 859424009 /nfs/dbraw/zinc/42/40/09/859424009.db2.gz DHZVTBLUBVVKGH-LJQANCHMSA-N 1 0 391.515 3.553 20 30 GHEDRO COc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1Cl ZINC000593349629 859521484 /nfs/dbraw/zinc/52/14/84/859521484.db2.gz SCUWFISIYVRGBM-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593350183 859522637 /nfs/dbraw/zinc/52/26/37/859522637.db2.gz CBCWZUSUEIFABH-INIZCTEOSA-N 1 0 397.906 3.760 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000922303344 859524341 /nfs/dbraw/zinc/52/43/41/859524341.db2.gz CFOMNOFHBGKELP-PXNSSMCTSA-N 1 0 398.551 3.810 20 30 GHEDRO C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC[N@@H+](C2CCC2)C1 ZINC000597425039 859526759 /nfs/dbraw/zinc/52/67/59/859526759.db2.gz AFHWILGVZOKMHB-QGZVFWFLSA-N 1 0 390.535 3.537 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601778617 859528870 /nfs/dbraw/zinc/52/88/70/859528870.db2.gz OFAGKYVZWYNMIF-UHFFFAOYSA-N 1 0 379.489 3.797 20 30 GHEDRO C[C@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(F)c1 ZINC000593352450 859534985 /nfs/dbraw/zinc/53/49/85/859534985.db2.gz ATBXBIMUPYNHJJ-QGZVFWFLSA-N 1 0 379.479 3.972 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3c[nH]c4ccc(F)cc34)CC2)c1 ZINC000593352902 859537042 /nfs/dbraw/zinc/53/70/42/859537042.db2.gz HCOXIKGLOBRZRO-UHFFFAOYSA-N 1 0 390.462 3.502 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)CC2)c1 ZINC000593348792 859539305 /nfs/dbraw/zinc/53/93/05/859539305.db2.gz MJUHQFFVQLRAGI-DLBZAZTESA-N 1 0 379.426 3.617 20 30 GHEDRO CCOc1ccc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593354604 859555949 /nfs/dbraw/zinc/55/59/49/859555949.db2.gz IKRVYZQSFIYOMB-UHFFFAOYSA-N 1 0 391.515 3.670 20 30 GHEDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000483718579 859557239 /nfs/dbraw/zinc/55/72/39/859557239.db2.gz BRSNJQJBZGDHNT-UXHICEINSA-N 1 0 386.540 3.968 20 30 GHEDRO Cc1cc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)s1 ZINC000060575696 859571584 /nfs/dbraw/zinc/57/15/84/859571584.db2.gz POTPXQKGBLMZOF-UHFFFAOYSA-N 1 0 397.544 3.790 20 30 GHEDRO Cc1ccc(OCCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000060575843 859572475 /nfs/dbraw/zinc/57/24/75/859572475.db2.gz ZQHSVLQVIYEXEO-UHFFFAOYSA-N 1 0 379.504 3.616 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c(F)c1 ZINC000611029097 859580277 /nfs/dbraw/zinc/58/02/77/859580277.db2.gz BGYBOVKFKCIHKH-MSOLQXFVSA-N 1 0 391.446 3.784 20 30 GHEDRO COc1ccc(C2(CNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)CCC2)cc1 ZINC000262236404 859593015 /nfs/dbraw/zinc/59/30/15/859593015.db2.gz NFEGNGQBEXRJHL-UHFFFAOYSA-N 1 0 381.476 3.705 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN(CCOC)C2CCCC2)c1=S ZINC000764943678 859680821 /nfs/dbraw/zinc/68/08/21/859680821.db2.gz BBCIDDNIGXTTOE-UHFFFAOYSA-N 1 0 387.553 3.901 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)CNc3ccc(C#N)cc3)c2)CC1 ZINC000611284905 859681621 /nfs/dbraw/zinc/68/16/21/859681621.db2.gz CPTHLRIYSFVVML-UHFFFAOYSA-N 1 0 376.504 3.883 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000611387115 859731978 /nfs/dbraw/zinc/73/19/78/859731978.db2.gz ZJIFFFLHKGXSJT-LLVKDONJSA-N 1 0 376.229 3.749 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1cccc(C#N)c1 ZINC000611387376 859732159 /nfs/dbraw/zinc/73/21/59/859732159.db2.gz MITBAPXSKLUFBE-HNNXBMFYSA-N 1 0 393.878 3.746 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391254 859741513 /nfs/dbraw/zinc/74/15/13/859741513.db2.gz LIKPGQIJZJRFGM-HOYKHHGWSA-N 1 0 375.516 3.946 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4ccc(F)cc4F)C3)CC2)cc1 ZINC000611438454 859760203 /nfs/dbraw/zinc/76/02/03/859760203.db2.gz OYPCXBLIPYVYDT-NRFANRHFSA-N 1 0 396.485 3.669 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000484014956 859766699 /nfs/dbraw/zinc/76/66/99/859766699.db2.gz GUJCDOFUUJVORJ-UHFFFAOYSA-N 1 0 396.510 3.997 20 30 GHEDRO N#Cc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(Br)c1 ZINC000611500492 859786549 /nfs/dbraw/zinc/78/65/49/859786549.db2.gz NRMUALJVMWNPFU-HDICACEKSA-N 1 0 382.305 3.889 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CC1 ZINC000499802898 859841487 /nfs/dbraw/zinc/84/14/87/859841487.db2.gz RPSBSTVAZVRMNC-CQSZACIVSA-N 1 0 392.341 3.556 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C#N)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000161386442 859914443 /nfs/dbraw/zinc/91/44/43/859914443.db2.gz HWCXNIAHZAXBSX-QGZVFWFLSA-N 1 0 378.398 3.718 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(OC)cc2)cc1 ZINC000765384700 859950965 /nfs/dbraw/zinc/95/09/65/859950965.db2.gz GMOXSPXUIKCUGN-INIZCTEOSA-N 1 0 388.895 3.794 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000552125078 859970100 /nfs/dbraw/zinc/97/01/00/859970100.db2.gz GLNWZVZDNHNXPA-HXUWFJFHSA-N 1 0 383.879 3.787 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000602376794 859976977 /nfs/dbraw/zinc/97/69/77/859976977.db2.gz ZUSYGGNLIPIARU-GUYCJALGSA-N 1 0 383.323 3.931 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000488325067 860006313 /nfs/dbraw/zinc/00/63/13/860006313.db2.gz OTXJLOFWNDEYER-QUCCMNQESA-N 1 0 390.531 3.655 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000154174239 860012818 /nfs/dbraw/zinc/01/28/18/860012818.db2.gz ALOQWUGGNRDPIP-HSZRJFAPSA-N 1 0 390.531 3.653 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508928657 860064823 /nfs/dbraw/zinc/06/48/23/860064823.db2.gz AWJJAQPUWSRYBL-FQEVSTJZSA-N 1 0 397.567 3.828 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508931169 860077250 /nfs/dbraw/zinc/07/72/50/860077250.db2.gz GUWFNHUPEIBWJB-UHFFFAOYSA-N 1 0 379.552 3.704 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)CC2)c1 ZINC000593513372 860085468 /nfs/dbraw/zinc/08/54/68/860085468.db2.gz IKXPOFSIJWYWMO-KRWDZBQOSA-N 1 0 394.441 3.507 20 30 GHEDRO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000123811405 860093509 /nfs/dbraw/zinc/09/35/09/860093509.db2.gz BNDCFEUTXGQZBZ-CVEARBPZSA-N 1 0 388.581 3.632 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000602547971 860094581 /nfs/dbraw/zinc/09/45/81/860094581.db2.gz VISNLSVIZJFALA-HZPDHXFCSA-N 1 0 379.451 3.555 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000602548905 860095545 /nfs/dbraw/zinc/09/55/45/860095545.db2.gz WSMQTCXVCPJHMZ-HZPDHXFCSA-N 1 0 392.341 3.716 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCCC[C@@H]3C3CCC3)CC2)c1 ZINC000593515092 860095749 /nfs/dbraw/zinc/09/57/49/860095749.db2.gz HNMORUNSEIULES-JOCHJYFZSA-N 1 0 380.536 3.887 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000598195769 860108211 /nfs/dbraw/zinc/10/82/11/860108211.db2.gz RRODRVXLRNRZGP-QFIPXVFZSA-N 1 0 393.556 3.567 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000602560572 860111756 /nfs/dbraw/zinc/11/17/56/860111756.db2.gz YOXWXLCPGDSWDO-NVXWUHKLSA-N 1 0 381.442 3.973 20 30 GHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000602590473 860129832 /nfs/dbraw/zinc/12/98/32/860129832.db2.gz UVUYOTAMFWSVHA-XOBRGWDASA-N 1 0 392.471 3.987 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000783530867 860140274 /nfs/dbraw/zinc/14/02/74/860140274.db2.gz DBIYADQCYLZPAT-CYBMUJFWSA-N 1 0 380.491 3.575 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1OCc1ccccc1 ZINC001170387037 881503985 /nfs/dbraw/zinc/50/39/85/881503985.db2.gz QTPXRFRSLBFTJO-BHDDXSALSA-N 1 0 389.499 3.637 20 30 GHEDRO Cn1c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)nc2cc(Cl)ccc21 ZINC000092854397 860147157 /nfs/dbraw/zinc/14/71/57/860147157.db2.gz JYHATBPUCVEJLK-UHFFFAOYSA-N 1 0 395.894 3.973 20 30 GHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CCC(C#N)CC2)c2ccc(F)cc2)c1 ZINC000602586369 860149449 /nfs/dbraw/zinc/14/94/49/860149449.db2.gz ASUKVFVBDYBCJS-ZJKHUDDUSA-N 1 0 386.492 3.991 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@H]1C ZINC000484600886 860160005 /nfs/dbraw/zinc/16/00/05/860160005.db2.gz FJAGCKQMFMAQHE-QAPCUYQASA-N 1 0 397.548 3.942 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2Oc2ccccc2C)c(C#N)c1C ZINC000484644151 860214888 /nfs/dbraw/zinc/21/48/88/860214888.db2.gz UQWHGGLBAGADFQ-AZUAARDMSA-N 1 0 381.476 3.995 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000484648297 860221501 /nfs/dbraw/zinc/22/15/01/860221501.db2.gz ZZDYDHDBORALMH-KJXAQDMKSA-N 1 0 380.488 3.586 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000602711756 860225041 /nfs/dbraw/zinc/22/50/41/860225041.db2.gz KLYKZHTVBYOCSG-PGRDOPGGSA-N 1 0 386.536 3.975 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)c2c1 ZINC000328747488 860226994 /nfs/dbraw/zinc/22/69/94/860226994.db2.gz PCJJCRMCBNGBAO-UHFFFAOYSA-N 1 0 394.910 3.514 20 30 GHEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C1(c3ccc(C#N)cc3)CCOCC1)CC2 ZINC000602724191 860236336 /nfs/dbraw/zinc/23/63/36/860236336.db2.gz KPPUGTONGZDALT-HXUWFJFHSA-N 1 0 378.472 3.858 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508956743 860246285 /nfs/dbraw/zinc/24/62/85/860246285.db2.gz SVXWBCLLVYJIIF-NRFANRHFSA-N 1 0 393.535 3.595 20 30 GHEDRO CC(C)(CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000097357637 860261736 /nfs/dbraw/zinc/26/17/36/860261736.db2.gz WQMFIYCGXIJAOK-UHFFFAOYSA-N 1 0 381.442 3.621 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CCC[N@@H+](C(C)C)CC2)c1=S ZINC000727826698 860281864 /nfs/dbraw/zinc/28/18/64/860281864.db2.gz XQTHTKJERZYWBP-UHFFFAOYSA-N 1 0 389.544 3.780 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000904277206 860306394 /nfs/dbraw/zinc/30/63/94/860306394.db2.gz HZVIGBBITGKKGH-FXAWDEMLSA-N 1 0 382.851 3.589 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602873153 860330656 /nfs/dbraw/zinc/33/06/56/860330656.db2.gz HCYRWKCJTMXEGO-VQIMIIECSA-N 1 0 388.581 3.681 20 30 GHEDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1(C)C ZINC001170398566 881531285 /nfs/dbraw/zinc/53/12/85/881531285.db2.gz FIFCQMOMSQOADR-IWMITWMQSA-N 1 0 394.519 3.553 20 30 GHEDRO CCC1([NH+](C)C)CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000602966683 860399039 /nfs/dbraw/zinc/39/90/39/860399039.db2.gz OBJWXOBTLGCZKU-QGZVFWFLSA-N 1 0 388.581 3.683 20 30 GHEDRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598591064 860435338 /nfs/dbraw/zinc/43/53/38/860435338.db2.gz ZAUBKTIBFRXNJY-AWEZNQCLSA-N 1 0 386.323 3.945 20 30 GHEDRO CC(C)(C#N)C[C@H](O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000598595102 860437177 /nfs/dbraw/zinc/43/71/77/860437177.db2.gz AMXSLUHDVWSPAV-SFHVURJKSA-N 1 0 375.516 3.675 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508994432 860474064 /nfs/dbraw/zinc/47/40/64/860474064.db2.gz HJILJFUBKGCGPX-IBGZPJMESA-N 1 0 392.551 3.635 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508995961 860477077 /nfs/dbraw/zinc/47/70/77/860477077.db2.gz MPMQJEQXNIXOMD-SFHVURJKSA-N 1 0 385.943 3.773 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccnn3CCc3ccccc3)CC2)cc1 ZINC000598678343 860498032 /nfs/dbraw/zinc/49/80/32/860498032.db2.gz IWUQDXUUDUUUMZ-UHFFFAOYSA-N 1 0 399.542 3.705 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000598722060 860528627 /nfs/dbraw/zinc/52/86/27/860528627.db2.gz YURUNBDTAJLSEC-MRXNPFEDSA-N 1 0 384.351 3.848 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(F)c1 ZINC000170936233 860578706 /nfs/dbraw/zinc/57/87/06/860578706.db2.gz LYVFTJIZILMFOC-UHFFFAOYSA-N 1 0 394.494 3.547 20 30 GHEDRO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)CC[C@@H]21 ZINC001170381223 881557180 /nfs/dbraw/zinc/55/71/80/881557180.db2.gz KJPFASCLVBPISR-CTHNOZTASA-N 1 0 379.548 3.969 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)CC1 ZINC001170381483 881557353 /nfs/dbraw/zinc/55/73/53/881557353.db2.gz QZJDHNXWMPYKDE-WCZAFSGKSA-N 1 0 377.532 3.627 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1=O ZINC001170383861 881560509 /nfs/dbraw/zinc/56/05/09/881560509.db2.gz QKURZJJXHFCMDG-FOJYNEPKSA-N 1 0 377.532 3.891 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000624983122 860622157 /nfs/dbraw/zinc/62/21/57/860622157.db2.gz SUZFSFJJFDLADM-QZTJIDSGSA-N 1 0 375.561 3.652 20 30 GHEDRO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000624991021 860649394 /nfs/dbraw/zinc/64/93/94/860649394.db2.gz IKXRUSBGDZBCOV-UHFFFAOYSA-N 1 0 397.571 3.583 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1C(F)(F)F ZINC000156079935 860673048 /nfs/dbraw/zinc/67/30/48/860673048.db2.gz KEFFEFSMSKKLDF-CQSZACIVSA-N 1 0 380.414 3.917 20 30 GHEDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000922873107 860690882 /nfs/dbraw/zinc/69/08/82/860690882.db2.gz QWCPYIQNYVAWHK-IEBWSBKVSA-N 1 0 390.491 3.835 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC(CO)CC1 ZINC000156280089 860734883 /nfs/dbraw/zinc/73/48/83/860734883.db2.gz LGJWVXUQKJBQEI-UHFFFAOYSA-N 1 0 389.565 3.700 20 30 GHEDRO Cc1oc2ccccc2c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000185597088 860778650 /nfs/dbraw/zinc/77/86/50/860778650.db2.gz SIXMEMPAXYFMFS-UHFFFAOYSA-N 1 0 390.487 3.886 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\CC2(C(=O)OC(C)(C)C)CCOCC2)c(O)c1 ZINC000843266436 860816172 /nfs/dbraw/zinc/81/61/72/860816172.db2.gz MDJXIRUCCUZZDN-HAHDFKILSA-N 1 0 390.524 3.796 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000593687206 860851218 /nfs/dbraw/zinc/85/12/18/860851218.db2.gz GVNNYPFZGZTBRD-UHFFFAOYSA-N 1 0 388.559 3.777 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)c1)O[C@H](C)C2 ZINC000593692659 860856485 /nfs/dbraw/zinc/85/64/85/860856485.db2.gz HZGJPLSJWGDQCZ-QGZVFWFLSA-N 1 0 391.515 3.644 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccc(OCC(F)F)cc3)CC2)c1 ZINC000593692810 860861722 /nfs/dbraw/zinc/86/17/22/860861722.db2.gz KKFWGHZPPRRHFZ-UHFFFAOYSA-N 1 0 385.458 3.956 20 30 GHEDRO COc1cc(C)c(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1OC ZINC000593693429 860905336 /nfs/dbraw/zinc/90/53/36/860905336.db2.gz YXGSTXLGBOPOLX-UHFFFAOYSA-N 1 0 379.504 3.638 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCN(Cc4ccccc4)C3)CC2)c1 ZINC000593701000 860922274 /nfs/dbraw/zinc/92/22/74/860922274.db2.gz ALKCRDAUESLBLN-RUZDIDTESA-N 1 0 388.559 3.777 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c2ccccn2)cc1 ZINC000593705329 860941253 /nfs/dbraw/zinc/94/12/53/860941253.db2.gz YOQGNDKLZXBLJH-XMMPIXPASA-N 1 0 399.498 3.705 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)Nc1nc2c(s1)CCC2 ZINC000329035382 860965446 /nfs/dbraw/zinc/96/54/46/860965446.db2.gz CCPRBGOVHYPUOQ-NUJGCVRESA-N 1 0 383.517 3.724 20 30 GHEDRO C[C@@H](CNC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000329073382 860995895 /nfs/dbraw/zinc/99/58/95/860995895.db2.gz AWQHWXGFQVDUJX-QRFRQXIXSA-N 1 0 377.504 3.527 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc([S@](C)=O)cc1 ZINC000593719994 861000180 /nfs/dbraw/zinc/00/01/80/861000180.db2.gz DWUXUMZXHZTLIG-CRYYWNKWSA-N 1 0 381.545 3.611 20 30 GHEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000600107846 861003976 /nfs/dbraw/zinc/00/39/76/861003976.db2.gz QRVNLDVHFKEXGE-WOIUINJBSA-N 1 0 379.529 3.726 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000329106531 861022796 /nfs/dbraw/zinc/02/27/96/861022796.db2.gz DJHJTFVXJXRRNM-UHFFFAOYSA-N 1 0 381.524 3.571 20 30 GHEDRO COC(=O)c1csc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593725497 861028807 /nfs/dbraw/zinc/02/88/07/861028807.db2.gz NHLHONRRUXYWTB-OAHLLOKOSA-N 1 0 383.517 3.722 20 30 GHEDRO Cc1nc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000603701228 861061336 /nfs/dbraw/zinc/06/13/36/861061336.db2.gz RQXCQWJFWOZFHH-IAGOWNOFSA-N 1 0 376.504 3.670 20 30 GHEDRO CC(C)(C)OC(=O)C1CCC(O)(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000599342785 861076301 /nfs/dbraw/zinc/07/63/01/861076301.db2.gz VMYRRHCFXYLIPF-UHFFFAOYSA-N 1 0 396.531 3.910 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000599353622 861095328 /nfs/dbraw/zinc/09/53/28/861095328.db2.gz KGVYPCBTXUJMLE-HNAYVOBHSA-N 1 0 384.451 3.577 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000623469873 861098269 /nfs/dbraw/zinc/09/82/69/861098269.db2.gz UXDUUORAPOYGFP-OAQYLSRUSA-N 1 0 384.568 3.505 20 30 GHEDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)COc3ccccc3C#N)c(C)c2c1 ZINC000599358099 861120547 /nfs/dbraw/zinc/12/05/47/861120547.db2.gz DGARAKFXLPNYBL-WBVHZDCISA-N 1 0 380.444 3.712 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000157339253 861121775 /nfs/dbraw/zinc/12/17/75/861121775.db2.gz LDSGFCSLIAJERI-UHFFFAOYSA-N 1 0 377.488 3.628 20 30 GHEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)C1=O ZINC000329196114 861125984 /nfs/dbraw/zinc/12/59/84/861125984.db2.gz UPNMMTXQEACMSQ-BDTNDASRSA-N 1 0 391.515 3.595 20 30 GHEDRO Cn1c(SCC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)nnc1-c1cccs1 ZINC000329203114 861137496 /nfs/dbraw/zinc/13/74/96/861137496.db2.gz YKCMOGJPFFUAMR-CYBMUJFWSA-N 1 0 391.566 3.609 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000599386721 861151432 /nfs/dbraw/zinc/15/14/32/861151432.db2.gz WOEBUNRNDGTCOW-SIKLNZKXSA-N 1 0 394.515 3.988 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000555899766 861165090 /nfs/dbraw/zinc/16/50/90/861165090.db2.gz KHNODHPPXIUKML-UHFFFAOYSA-N 1 0 391.500 3.952 20 30 GHEDRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C1CCN(CC#N)CC1 ZINC000730578247 861168233 /nfs/dbraw/zinc/16/82/33/861168233.db2.gz GBKUCDFKISDKTJ-UHFFFAOYSA-N 1 0 392.334 3.624 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)CCOCC1 ZINC000599426674 861169529 /nfs/dbraw/zinc/16/95/29/861169529.db2.gz MBQFEDCIEKASNX-SJLPKXTDSA-N 1 0 380.941 3.578 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)CCOCC1 ZINC000599411807 861181164 /nfs/dbraw/zinc/18/11/64/861181164.db2.gz FEDGGVPAQLSKCK-SFHVURJKSA-N 1 0 380.891 3.762 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000609195467 881625496 /nfs/dbraw/zinc/62/54/96/881625496.db2.gz ABGRBABOSZCLOH-UHFFFAOYSA-N 1 0 381.432 3.779 20 30 GHEDRO C=C(Br)CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000733647331 863096051 /nfs/dbraw/zinc/09/60/51/863096051.db2.gz WTTNTZCCRNOJOC-OAHLLOKOSA-N 1 0 380.330 3.858 20 30 GHEDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)ccc1OCc1cccc(C#N)c1 ZINC000159874453 863121747 /nfs/dbraw/zinc/12/17/47/863121747.db2.gz VFEBKCIHNKXTNE-SFTDATJTSA-N 1 0 380.488 3.739 20 30 GHEDRO CCCc1c(NC(=O)NCCC[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439665264 863138285 /nfs/dbraw/zinc/13/82/85/863138285.db2.gz QYVGTMCIUALCJJ-UHFFFAOYSA-N 1 0 394.523 3.694 20 30 GHEDRO CCCc1c(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439672218 863143401 /nfs/dbraw/zinc/14/34/01/863143401.db2.gz JOVHCSOYUCEFPA-NRFANRHFSA-N 1 0 394.523 3.500 20 30 GHEDRO CCCc1c(NC(=O)N[C@H](C)C[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439664903 863164986 /nfs/dbraw/zinc/16/49/86/863164986.db2.gz PTIOECZSMBWPSX-QGZVFWFLSA-N 1 0 394.523 3.692 20 30 GHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000159987593 863212673 /nfs/dbraw/zinc/21/26/73/863212673.db2.gz POXUXWKJUZWLBG-GOSISDBHSA-N 1 0 391.519 3.519 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000444056802 863233348 /nfs/dbraw/zinc/23/33/48/863233348.db2.gz WDWKNYWLWAJGMV-UHFFFAOYSA-N 1 0 375.375 3.890 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1CCC#N ZINC000282585273 863244365 /nfs/dbraw/zinc/24/43/65/863244365.db2.gz DESOKHHOCXQTER-LJQANCHMSA-N 1 0 394.523 3.527 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)ccc1C#N ZINC000281855828 863428185 /nfs/dbraw/zinc/42/81/85/863428185.db2.gz ZOPNLGJFXIKGEK-UHFFFAOYSA-N 1 0 384.483 3.814 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c(OC)c1 ZINC000606453599 863630681 /nfs/dbraw/zinc/63/06/81/863630681.db2.gz ISRJLHKMWZTBIA-WOJBJXKFSA-N 1 0 397.515 3.662 20 30 GHEDRO COCCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000444241761 863744379 /nfs/dbraw/zinc/74/43/79/863744379.db2.gz RUUWYNKHRHQGPM-UHFFFAOYSA-N 1 0 381.520 3.964 20 30 GHEDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000594017093 863752205 /nfs/dbraw/zinc/75/22/05/863752205.db2.gz QQDGYUBUHJPJPV-OAQYLSRUSA-N 1 0 380.488 3.883 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccccc3Br)CCC2)cc1 ZINC000594032570 863819179 /nfs/dbraw/zinc/81/91/79/863819179.db2.gz XMAYMCZGOZSMHS-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO Cn1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)c(-c2ccc(C#N)cc2)n1 ZINC000480013625 863841408 /nfs/dbraw/zinc/84/14/08/863841408.db2.gz AURKITMJWWRGPG-UHFFFAOYSA-N 1 0 388.471 3.755 20 30 GHEDRO N#Cc1c(C#N)c(N2CCC[N@@H+](C3CCCC3)CC2)nc2c1CCCCCC2 ZINC000480016594 863846196 /nfs/dbraw/zinc/84/61/96/863846196.db2.gz OFUNLSJKCOFLJQ-UHFFFAOYSA-N 1 0 377.536 3.939 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103475092 864001064 /nfs/dbraw/zinc/00/10/64/864001064.db2.gz DZSQLDKWGCESMM-GOSISDBHSA-N 1 0 393.535 3.672 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480090522 864017058 /nfs/dbraw/zinc/01/70/58/864017058.db2.gz COUZSTXWBYTSEN-UYAOXDASSA-N 1 0 377.488 3.820 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734300724 864135029 /nfs/dbraw/zinc/13/50/29/864135029.db2.gz TYIBZRSSTNKOSF-RXVVDRJESA-N 1 0 378.472 3.781 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[NH+]1CCCCC1 ZINC000734428447 864215878 /nfs/dbraw/zinc/21/58/78/864215878.db2.gz KLERHGMIZLRYDW-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)cc1 ZINC000594070672 864231567 /nfs/dbraw/zinc/23/15/67/864231567.db2.gz MMFNDWKUSFWHHF-UHFFFAOYSA-N 1 0 378.476 3.827 20 30 GHEDRO N#Cc1ccc(CCC(=O)Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000920137616 881751464 /nfs/dbraw/zinc/75/14/64/881751464.db2.gz KRZKREOCEMCERT-UHFFFAOYSA-N 1 0 378.472 3.961 20 30 GHEDRO CCOC(=O)C1(C#N)CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056792 864333802 /nfs/dbraw/zinc/33/38/02/864333802.db2.gz IOXYEBLFXONGGT-OALUTQOASA-N 1 0 383.536 3.597 20 30 GHEDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C2 ZINC000621679872 864370406 /nfs/dbraw/zinc/37/04/06/864370406.db2.gz WWMAHHKCKKVDGX-JSGCOSHPSA-N 1 0 398.322 3.929 20 30 GHEDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C2 ZINC000621679871 864370744 /nfs/dbraw/zinc/37/07/44/864370744.db2.gz WWMAHHKCKKVDGX-GXTWGEPZSA-N 1 0 398.322 3.929 20 30 GHEDRO C=CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccncc1 ZINC000734683923 864381658 /nfs/dbraw/zinc/38/16/58/864381658.db2.gz PXQICSFJJTZCLY-QFIPXVFZSA-N 1 0 378.520 3.925 20 30 GHEDRO C[NH+]=C(NCc1ccc(CN2CCCC2=O)cc1)N1CCC2(C1)CCCCC2 ZINC000262452566 864481123 /nfs/dbraw/zinc/48/11/23/864481123.db2.gz KCAMJFFMJUWKIT-UHFFFAOYSA-N 1 0 382.552 3.541 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000734865404 864492379 /nfs/dbraw/zinc/49/23/79/864492379.db2.gz NHBSKJOMHPAQQL-IBGZPJMESA-N 1 0 391.515 3.723 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000554566053 864571730 /nfs/dbraw/zinc/57/17/30/864571730.db2.gz OSZGKNDCTQIPPM-HXUWFJFHSA-N 1 0 393.531 3.676 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCc3cccc(C#N)c3)cc2)C1 ZINC000554586610 864584837 /nfs/dbraw/zinc/58/48/37/864584837.db2.gz MULHCKDIWVEVGF-LJQANCHMSA-N 1 0 390.531 3.832 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(-n4cccc4)cc3)CC2)c1 ZINC000586051387 864604104 /nfs/dbraw/zinc/60/41/04/864604104.db2.gz UHGCZAKRTBJPIB-UHFFFAOYSA-N 1 0 384.483 3.743 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000554613255 864615661 /nfs/dbraw/zinc/61/56/61/864615661.db2.gz WZONUWKCJMIHEX-SFHVURJKSA-N 1 0 392.551 3.835 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000554618870 864623270 /nfs/dbraw/zinc/62/32/70/864623270.db2.gz JXLHCJFYKJFQRE-WOJBJXKFSA-N 1 0 394.567 3.925 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000475261698 864672642 /nfs/dbraw/zinc/67/26/42/864672642.db2.gz FAKWLESWYFXITP-IBGZPJMESA-N 1 0 397.563 3.667 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000480500872 864768597 /nfs/dbraw/zinc/76/85/97/864768597.db2.gz RTCMLHVMZDPWFK-IBGZPJMESA-N 1 0 388.870 3.935 20 30 GHEDRO COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1 ZINC000554747322 864848046 /nfs/dbraw/zinc/84/80/46/864848046.db2.gz SXSHSXTZKWARRC-UXHICEINSA-N 1 0 383.879 3.684 20 30 GHEDRO CC(C)C1CCC(NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)CC1 ZINC000262477440 864857353 /nfs/dbraw/zinc/85/73/53/864857353.db2.gz ZZRPZQYXDOBLOF-ZJRDLVKKSA-N 1 0 397.629 3.504 20 30 GHEDRO Cc1cccc([C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCOCC2)c1 ZINC000030915711 864885734 /nfs/dbraw/zinc/88/57/34/864885734.db2.gz OJUYLRIXUNKIJJ-DEOSSOPVSA-N 1 0 392.547 3.508 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3nc4ccccc4n3C3CC3)CC2)cc1 ZINC000184778427 864924720 /nfs/dbraw/zinc/92/47/20/864924720.db2.gz JRBIHRCXJPWWQV-UHFFFAOYSA-N 1 0 385.515 3.997 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000184817538 864964346 /nfs/dbraw/zinc/96/43/46/864964346.db2.gz HLOWXTFVJSIJIF-OAQYLSRUSA-N 1 0 375.472 3.500 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000554847984 865036787 /nfs/dbraw/zinc/03/67/87/865036787.db2.gz DNGLQAFDNONAKG-QGZVFWFLSA-N 1 0 376.460 3.554 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000897268207 865040287 /nfs/dbraw/zinc/04/02/87/865040287.db2.gz VZRFSDCCVXUGDK-JOCHJYFZSA-N 1 0 391.515 3.887 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508476044 865051537 /nfs/dbraw/zinc/05/15/37/865051537.db2.gz APLKAUHOZAJMHV-QGZVFWFLSA-N 1 0 399.514 3.808 20 30 GHEDRO C=C(Cl)CNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000736397713 865189549 /nfs/dbraw/zinc/18/95/49/865189549.db2.gz FZCWFSPERLKJPS-UHFFFAOYSA-N 1 0 375.822 3.675 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000171560693 865294511 /nfs/dbraw/zinc/29/45/11/865294511.db2.gz MPZFKUNAIZCPQF-UHFFFAOYSA-N 1 0 392.341 3.557 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(Cc3ccc(F)cc3F)C1=O)CC2 ZINC000555002419 865317276 /nfs/dbraw/zinc/31/72/76/865317276.db2.gz AFJNRIJYGANQAF-SFTDATJTSA-N 1 0 381.426 3.605 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000171717718 865343728 /nfs/dbraw/zinc/34/37/28/865343728.db2.gz FZLBGUZKTFMJFK-ZDUSSCGKSA-N 1 0 383.355 3.696 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)CC1 ZINC000171732178 865347911 /nfs/dbraw/zinc/34/79/11/865347911.db2.gz YAQRSBYVFVFOPX-UHFFFAOYSA-N 1 0 399.457 3.942 20 30 GHEDRO N#CC(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000193059688 865405585 /nfs/dbraw/zinc/40/55/85/865405585.db2.gz LUAIVLIFITZYFE-DEOSSOPVSA-N 1 0 389.543 3.683 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)c1 ZINC000738121127 865496157 /nfs/dbraw/zinc/49/61/57/865496157.db2.gz TUUODEKUBHTVML-UHFFFAOYSA-N 1 0 386.455 3.663 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594255785 865621106 /nfs/dbraw/zinc/62/11/06/865621106.db2.gz IARLOUJYUNRGHK-YLJYHZDGSA-N 1 0 381.545 3.827 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000594262966 865634251 /nfs/dbraw/zinc/63/42/51/865634251.db2.gz TWXJTUXPNCUXKQ-OAQYLSRUSA-N 1 0 389.543 3.904 20 30 GHEDRO CCOc1ccc(C2(C[NH2+]Cc3ccc(OC)c(C#N)c3)CCOCC2)cc1 ZINC000174303067 865722069 /nfs/dbraw/zinc/72/20/69/865722069.db2.gz FQHOJYRWTDLKMZ-UHFFFAOYSA-N 1 0 380.488 3.804 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000739438008 865733500 /nfs/dbraw/zinc/73/35/00/865733500.db2.gz SPWZRAJLNDJAHF-QGZVFWFLSA-N 1 0 384.574 3.735 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000555262750 865794702 /nfs/dbraw/zinc/79/47/02/865794702.db2.gz VFFCBOVOCQAYFJ-FPOVZHCZSA-N 1 0 377.536 3.974 20 30 GHEDRO Cc1cc(C)cc(-c2ccc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)cc2)c1 ZINC000174392760 865799639 /nfs/dbraw/zinc/79/96/39/865799639.db2.gz SMNDAQVJLLKVPD-FCQUAONHSA-N 1 0 375.472 3.586 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C#N)cc1 ZINC000739996322 865823017 /nfs/dbraw/zinc/82/30/17/865823017.db2.gz TVPUDYIWFYCGHF-QHCPKHFHSA-N 1 0 391.515 3.938 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)c2ccco2)cc1OC ZINC000174532518 865876628 /nfs/dbraw/zinc/87/66/28/865876628.db2.gz VXPDUZQWCQPWMC-SFHVURJKSA-N 1 0 396.281 3.613 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000481165506 865902891 /nfs/dbraw/zinc/90/28/91/865902891.db2.gz BYJPZUIRXPAULL-UWJYYQICSA-N 1 0 387.487 3.608 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)s1 ZINC000740484971 865929713 /nfs/dbraw/zinc/92/97/13/865929713.db2.gz YYINFKRCBPLADW-SFHVURJKSA-N 1 0 380.517 3.666 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)CC1 ZINC000654170683 865985763 /nfs/dbraw/zinc/98/57/63/865985763.db2.gz UNKMEIJLHHCQIS-UHFFFAOYSA-N 1 0 389.450 3.972 20 30 GHEDRO Cc1sc(NC(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000481204056 866004420 /nfs/dbraw/zinc/00/44/20/866004420.db2.gz UMTHPUYZKXSIAK-MGPUTAFESA-N 1 0 396.560 3.675 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC000740925107 866109727 /nfs/dbraw/zinc/10/97/27/866109727.db2.gz HYDRBAIFIXDATG-UHFFFAOYSA-N 1 0 389.496 3.510 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 ZINC000186581385 866184777 /nfs/dbraw/zinc/18/47/77/866184777.db2.gz BXBOIMPPGMVUOH-UHFFFAOYSA-N 1 0 390.447 3.753 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000183139777 866267592 /nfs/dbraw/zinc/26/75/92/866267592.db2.gz PBXHRVYZKCGPRJ-SJORKVTESA-N 1 0 379.508 3.563 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189649594 881959511 /nfs/dbraw/zinc/95/95/11/881959511.db2.gz FFPSYRFCAUZTGV-XFQXTVEOSA-N 1 0 382.907 3.817 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000303772911 866329381 /nfs/dbraw/zinc/32/93/81/866329381.db2.gz DVYKHCJAFACSEZ-IBGZPJMESA-N 1 0 384.524 3.513 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183204087 866375876 /nfs/dbraw/zinc/37/58/76/866375876.db2.gz PRLLCCWXGFCDEK-OAQYLSRUSA-N 1 0 394.519 3.554 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000741339064 866429067 /nfs/dbraw/zinc/42/90/67/866429067.db2.gz XIBLHTHOXFAQRD-GOSISDBHSA-N 1 0 399.535 3.806 20 30 GHEDRO COc1ccccc1C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCC1 ZINC000304480741 866498026 /nfs/dbraw/zinc/49/80/26/866498026.db2.gz IHJNCYGDYOCWMY-IBGZPJMESA-N 1 0 379.504 3.935 20 30 GHEDRO COc1ccc(CCNN=C(C)c2ccc(O)c(C[NH+]3CCCCC3)c2)cc1 ZINC000737439703 866665629 /nfs/dbraw/zinc/66/56/29/866665629.db2.gz DDGVAOHGFXVPIA-UHFFFAOYSA-N 1 0 381.520 3.943 20 30 GHEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741781879 866785920 /nfs/dbraw/zinc/78/59/20/866785920.db2.gz QWBGMBYZSLEPAH-QGZVFWFLSA-N 1 0 375.469 3.840 20 30 GHEDRO OC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000534512531 866916466 /nfs/dbraw/zinc/91/64/66/866916466.db2.gz APSGKEJQYBZSOR-ONGXEEELSA-N 1 0 399.253 3.962 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)CC2(c3ccccc3)CC2)cc1 ZINC000444685323 867030459 /nfs/dbraw/zinc/03/04/59/867030459.db2.gz NVKRNHFYMJVPSE-UHFFFAOYSA-N 1 0 391.515 3.996 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000444669241 867040381 /nfs/dbraw/zinc/04/03/81/867040381.db2.gz VQGFRWYHDMQVLD-CYBMUJFWSA-N 1 0 383.402 3.982 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000444669242 867040579 /nfs/dbraw/zinc/04/05/79/867040579.db2.gz VQGFRWYHDMQVLD-ZDUSSCGKSA-N 1 0 383.402 3.982 20 30 GHEDRO CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000523337710 867106658 /nfs/dbraw/zinc/10/66/58/867106658.db2.gz SVAICUGFTNHFIT-GCJKJVERSA-N 1 0 376.504 3.775 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282085565 867128246 /nfs/dbraw/zinc/12/82/46/867128246.db2.gz OHEXKTMHTGZLFK-LPHOPBHVSA-N 1 0 387.549 3.958 20 30 GHEDRO N#Cc1c(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc2cc(Cl)ccn12 ZINC000553336192 867202116 /nfs/dbraw/zinc/20/21/16/867202116.db2.gz JTKHVRBFHSIDDF-QFIPXVFZSA-N 1 0 391.906 3.962 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccn(-c3ccccc3)n2)c(-c2ccccc2)n1 ZINC000553383814 867334383 /nfs/dbraw/zinc/33/43/83/867334383.db2.gz LJPOZUMALDGEAY-UHFFFAOYSA-N 1 0 396.498 3.982 20 30 GHEDRO Cc1ccccc1SCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479243939 867400998 /nfs/dbraw/zinc/40/09/98/867400998.db2.gz MIHHYFNOOHMCLZ-UHFFFAOYSA-N 1 0 379.529 3.762 20 30 GHEDRO CSCc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479286821 867486741 /nfs/dbraw/zinc/48/67/41/867486741.db2.gz OZRUXFCXUMMDSL-UHFFFAOYSA-N 1 0 379.529 3.838 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(C#N)c(OC)c3)CCN2C2CC2)c1 ZINC000440610407 867507627 /nfs/dbraw/zinc/50/76/27/867507627.db2.gz DGKGYZINMHZHHT-JTHBVZDNSA-N 1 0 377.488 3.643 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000553510818 867565971 /nfs/dbraw/zinc/56/59/71/867565971.db2.gz KOSLGVSCUZXBSN-QRWLVFNGSA-N 1 0 392.503 3.577 20 30 GHEDRO N#Cc1cnc2c(Br)cccc2c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000440649586 867716559 /nfs/dbraw/zinc/71/65/59/867716559.db2.gz QVKUEWJFINLIFG-OAHLLOKOSA-N 1 0 385.309 3.934 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)C(N)=O)cc1 ZINC000479505586 867905532 /nfs/dbraw/zinc/90/55/32/867905532.db2.gz SEDNNJGDUACUHT-SFHVURJKSA-N 1 0 387.270 3.705 20 30 GHEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000163243969 868058565 /nfs/dbraw/zinc/05/85/65/868058565.db2.gz MGLUYOVSDHCWMR-OALUTQOASA-N 1 0 377.916 3.521 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000479604060 868171692 /nfs/dbraw/zinc/17/16/92/868171692.db2.gz SRAHLDBQDFZPLF-OAQYLSRUSA-N 1 0 398.551 3.513 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)CC1 ZINC000743493046 868237566 /nfs/dbraw/zinc/23/75/66/868237566.db2.gz FHXKMAQZRGIJMH-UHFFFAOYSA-N 1 0 389.927 3.542 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508846038 868505497 /nfs/dbraw/zinc/50/54/97/868505497.db2.gz FDVOPRYOZBBZPH-LJQANCHMSA-N 1 0 383.540 3.520 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)[NH+](C)C)cc1 ZINC000554015017 868626127 /nfs/dbraw/zinc/62/61/27/868626127.db2.gz GWNFLNPWWNMYBI-DYESRHJHSA-N 1 0 395.503 3.532 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542630993 868639364 /nfs/dbraw/zinc/63/93/64/868639364.db2.gz ROKMMDOEOHGIIE-ZWKOTPCHSA-N 1 0 387.480 3.940 20 30 GHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000554077828 868712248 /nfs/dbraw/zinc/71/22/48/868712248.db2.gz RMMRDMXEZMZHOW-SNVBAGLBSA-N 1 0 378.325 3.621 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485932 882221383 /nfs/dbraw/zinc/22/13/83/882221383.db2.gz FFQCRIYMGAQCKN-UHFFFAOYSA-N 1 0 378.520 3.533 20 30 GHEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744423319 868824653 /nfs/dbraw/zinc/82/46/53/868824653.db2.gz DGYZLWCFHGTKDU-NRFANRHFSA-N 1 0 392.478 3.758 20 30 GHEDRO NC(=[NH+]OCC(=O)NC1CCCCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000744448866 868850725 /nfs/dbraw/zinc/85/07/25/868850725.db2.gz ZSMPPULDKFQBFH-UHFFFAOYSA-N 1 0 386.540 3.543 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1OCCCC#N ZINC000092056969 882254487 /nfs/dbraw/zinc/25/44/87/882254487.db2.gz USDBQTSFANTFQF-UHFFFAOYSA-N 1 0 399.535 3.602 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)/C=C/c3ccccc3C#N)cc2)C1 ZINC000744746268 869043400 /nfs/dbraw/zinc/04/34/00/869043400.db2.gz LPNJATGHDOVOET-QKIXSCASSA-N 1 0 375.472 3.931 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC1([NH+](C)C)CCC1 ZINC000445873784 869105164 /nfs/dbraw/zinc/10/51/64/869105164.db2.gz GSVNEBMNVZJTML-HNNXBMFYSA-N 1 0 388.581 3.632 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000539495496 869218893 /nfs/dbraw/zinc/21/88/93/869218893.db2.gz UIUFGQJHSZRQCN-WMLDXEAASA-N 1 0 378.394 3.959 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443100775 869398273 /nfs/dbraw/zinc/39/82/73/869398273.db2.gz YKJGDNBJPZWWIQ-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO N#Cc1nccnc1N1CC[NH+](C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168347523 882299446 /nfs/dbraw/zinc/29/94/46/882299446.db2.gz NKCQGPQNTHZYRC-UHFFFAOYSA-N 1 0 381.911 3.850 20 30 GHEDRO CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000170818388 882300915 /nfs/dbraw/zinc/30/09/15/882300915.db2.gz GANSBKWQJBTMPJ-QHCPKHFHSA-N 1 0 390.531 3.797 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000462757797 870037419 /nfs/dbraw/zinc/03/74/19/870037419.db2.gz BRZGMCKFKLVBMX-UHFFFAOYSA-N 1 0 385.261 3.765 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C#N)c(Cl)n2)C[N@@H+]1Cc1ccccc1 ZINC001127293925 882368155 /nfs/dbraw/zinc/36/81/55/882368155.db2.gz VUKYRXQFGCTINW-NVXWUHKLSA-N 1 0 382.895 3.637 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC001192335609 870296088 /nfs/dbraw/zinc/29/60/88/870296088.db2.gz LDMGWBAABSXYBI-UHFFFAOYSA-N 1 0 391.515 3.978 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(Cl)c(C#N)c3)cc2)C[C@H](C)O1 ZINC000538685338 870338315 /nfs/dbraw/zinc/33/83/15/870338315.db2.gz WIXAQNAPJKGHNR-HOTGVXAUSA-N 1 0 397.906 3.751 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000793789907 882412123 /nfs/dbraw/zinc/41/21/23/882412123.db2.gz HDNZBXAICNSJSX-PMACEKPBSA-N 1 0 379.589 3.576 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000462943649 870476981 /nfs/dbraw/zinc/47/69/81/870476981.db2.gz DRLGBGWGJNOTCZ-OFQRWUPVSA-N 1 0 381.314 3.943 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNC(=O)c2cccs2)c1 ZINC000238128145 870626840 /nfs/dbraw/zinc/62/68/40/870626840.db2.gz JRLGPXQFBMYPSX-UHFFFAOYSA-N 1 0 391.496 3.718 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000746448523 870744747 /nfs/dbraw/zinc/74/47/47/870744747.db2.gz DOIIGLDPDIJFHY-CTNGQTDRSA-N 1 0 398.551 3.516 20 30 GHEDRO CCOC(=O)CN(CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001192964744 870819953 /nfs/dbraw/zinc/81/99/53/870819953.db2.gz MTGCDJGVRZTDAP-QGZVFWFLSA-N 1 0 379.460 3.513 20 30 GHEDRO CC(C)OC(=O)c1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000441174874 870854083 /nfs/dbraw/zinc/85/40/83/870854083.db2.gz WYVSIRJVPZRMAX-UHFFFAOYSA-N 1 0 391.515 3.831 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168807294 870857775 /nfs/dbraw/zinc/85/77/75/870857775.db2.gz OAIUTCIVJZCYOY-DYESRHJHSA-N 1 0 398.551 3.510 20 30 GHEDRO CC(C)(C)OC(=O)NCC[N@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC001193117243 870894703 /nfs/dbraw/zinc/89/47/03/870894703.db2.gz LKLDODZPIAFDCI-UHFFFAOYSA-N 1 0 395.503 3.964 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](C)C1 ZINC000525545670 870897829 /nfs/dbraw/zinc/89/78/29/870897829.db2.gz OHNCAUPCHSAAES-OXJNMPFZSA-N 1 0 378.476 3.548 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000447019786 870906333 /nfs/dbraw/zinc/90/63/33/870906333.db2.gz YLVPQURISOKNSE-GFCCVEGCSA-N 1 0 382.407 3.831 20 30 GHEDRO CCCCCCCC[N@H+](CCN)[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168902465 870985969 /nfs/dbraw/zinc/98/59/69/870985969.db2.gz BWJOHTXIPGLVPO-NRFANRHFSA-N 1 0 389.584 3.807 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)c1cccc(C#N)c1 ZINC001168904103 870988959 /nfs/dbraw/zinc/98/89/59/870988959.db2.gz IJXVXUQQVYICNC-RBBKRZOGSA-N 1 0 377.488 3.799 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000540354244 871048423 /nfs/dbraw/zinc/04/84/23/871048423.db2.gz LAVRBRXSDBZQMC-KRWDZBQOSA-N 1 0 387.524 3.819 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000540378317 871114232 /nfs/dbraw/zinc/11/42/32/871114232.db2.gz FLBOPRNMVWHHCP-RBUKOAKNSA-N 1 0 390.325 3.688 20 30 GHEDRO CN(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000181538259 871159103 /nfs/dbraw/zinc/15/91/03/871159103.db2.gz GXBRENBFFSILML-QHCPKHFHSA-N 1 0 380.511 3.554 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000463213760 871161041 /nfs/dbraw/zinc/16/10/41/871161041.db2.gz NWFGVLQZFMZORN-KDQFFHPLSA-N 1 0 387.564 3.806 20 30 GHEDRO C[N@H+](CCc1cccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1)C1CC1 ZINC000540428387 871259447 /nfs/dbraw/zinc/25/94/47/871259447.db2.gz UUSWUSFMMMHDQI-UHFFFAOYSA-N 1 0 377.488 3.991 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2)c1 ZINC000463248480 871262966 /nfs/dbraw/zinc/26/29/66/871262966.db2.gz ULZCVHLULMVNES-QFIXIFRTSA-N 1 0 386.492 3.991 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc(C#N)c1 ZINC000461928483 871293950 /nfs/dbraw/zinc/29/39/50/871293950.db2.gz MWCZTGBUYNUWEX-SFHVURJKSA-N 1 0 388.515 3.832 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000540455614 871345210 /nfs/dbraw/zinc/34/52/10/871345210.db2.gz MRCVYTJJGQIGIX-HSZRJFAPSA-N 1 0 387.458 3.887 20 30 GHEDRO C[C@](C#N)(Nc1nc(C2CC[NH2+]CC2)cc2nc[nH]c21)c1ccccc1Cl ZINC001169372246 871436157 /nfs/dbraw/zinc/43/61/57/871436157.db2.gz DKLNMFGZGCANSB-HXUWFJFHSA-N 1 0 380.883 3.929 20 30 GHEDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441252670 871465134 /nfs/dbraw/zinc/46/51/34/871465134.db2.gz GKSSWBDNHMKMDQ-IAGOWNOFSA-N 1 0 399.922 3.854 20 30 GHEDRO COc1ccc(O[C@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181831106 871526733 /nfs/dbraw/zinc/52/67/33/871526733.db2.gz HYFLFGIDFAFRDD-GOSISDBHSA-N 1 0 379.504 3.588 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC001194191764 871547463 /nfs/dbraw/zinc/54/74/63/871547463.db2.gz OOGMQLSRROBBPT-YYWHXJBOSA-N 1 0 386.561 3.999 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000539254119 871562173 /nfs/dbraw/zinc/56/21/73/871562173.db2.gz LXIIHEACRZFJJZ-SJORKVTESA-N 1 0 387.524 3.675 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001194241282 871579110 /nfs/dbraw/zinc/57/91/10/871579110.db2.gz OXMICORLAYMLEC-INIZCTEOSA-N 1 0 376.932 3.737 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(Br)cc1OCCCO ZINC000463376648 871583475 /nfs/dbraw/zinc/58/34/75/871583475.db2.gz QZHFNESYURHPPU-INIZCTEOSA-N 1 0 388.305 3.913 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2c(Cl)cccc2Cl)cc1 ZINC000552034516 871587928 /nfs/dbraw/zinc/58/79/28/871587928.db2.gz ZTMUZULDGCCTRG-HNNXBMFYSA-N 1 0 379.287 3.631 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000539259282 871614904 /nfs/dbraw/zinc/61/49/04/871614904.db2.gz BXPLREXSIDZTRW-SFHVURJKSA-N 1 0 380.414 3.648 20 30 GHEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000463406634 871637378 /nfs/dbraw/zinc/63/73/78/871637378.db2.gz SXICQZVVDLEGSV-JCURWCKSSA-N 1 0 375.538 3.617 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000539331905 871711681 /nfs/dbraw/zinc/71/16/81/871711681.db2.gz QCCDOEYWADLSBX-OAHLLOKOSA-N 1 0 383.414 3.633 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000921073918 882539764 /nfs/dbraw/zinc/53/97/64/882539764.db2.gz WQYTVRUVDVQFAY-UHFFFAOYSA-N 1 0 380.330 3.626 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000539359258 871756059 /nfs/dbraw/zinc/75/60/59/871756059.db2.gz JGNKEECPPKWKRE-OAQYLSRUSA-N 1 0 379.504 3.689 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000525990149 871877855 /nfs/dbraw/zinc/87/78/55/871877855.db2.gz FQNYHNGLEOSPSQ-UHFFFAOYSA-N 1 0 396.535 3.564 20 30 GHEDRO C[C@H](O)[C@](C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000552065669 871969074 /nfs/dbraw/zinc/96/90/74/871969074.db2.gz JRQATOLDUJKYAP-CYFREDJKSA-N 1 0 377.532 3.746 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC001194899467 872019968 /nfs/dbraw/zinc/01/99/68/872019968.db2.gz SRDTVOGDAKORMK-SFHVURJKSA-N 1 0 379.549 3.910 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618827507 872032290 /nfs/dbraw/zinc/03/22/90/872032290.db2.gz KULKTJFXWBTBPJ-AMHTUMDSSA-N 1 0 388.515 3.755 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000618842343 872054161 /nfs/dbraw/zinc/05/41/61/872054161.db2.gz LCZFYEARFHJEGH-JOCHJYFZSA-N 1 0 380.536 3.843 20 30 GHEDRO COc1cc(NC(C)=O)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540756184 872068414 /nfs/dbraw/zinc/06/84/14/872068414.db2.gz DVQKPFWBUUTFOR-UHFFFAOYSA-N 1 0 378.476 3.602 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc(OC)c1O ZINC000093321313 872078040 /nfs/dbraw/zinc/07/80/40/872078040.db2.gz WILXNACNPHOLPN-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000447676399 872081934 /nfs/dbraw/zinc/08/19/34/872081934.db2.gz QTCXFWDHHVTSCC-FDDCHVKYSA-N 1 0 391.563 3.692 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CCC([NH3+])(c3cccc(OC)c3)CC2)cc1 ZINC001195142350 872197602 /nfs/dbraw/zinc/19/76/02/872197602.db2.gz OTPZUSJTSKXRPV-UHFFFAOYSA-N 1 0 380.488 3.740 20 30 GHEDRO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001195153276 872219711 /nfs/dbraw/zinc/21/97/11/872219711.db2.gz AVFGQJJJXFMHAE-VXKWHMMOSA-N 1 0 382.529 3.990 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)CC1 ZINC000463664056 872284980 /nfs/dbraw/zinc/28/49/80/872284980.db2.gz NHBQUMLGIKKTCM-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2nc(-c3ccccc3)c[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001195351053 872343844 /nfs/dbraw/zinc/34/38/44/872343844.db2.gz NVDBJEXBWRBRCF-MEMLXQNLSA-N 1 0 399.498 3.861 20 30 GHEDRO C[N@H+](CCC(=O)N[C@@H](C#N)c1ccccc1Br)C1CCCCC1 ZINC000619242655 872483734 /nfs/dbraw/zinc/48/37/34/872483734.db2.gz DYIIDLNKARIQOY-KRWDZBQOSA-N 1 0 378.314 3.785 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3c(ccc4ccccc34)c2C)c1C#N ZINC000128150218 872506851 /nfs/dbraw/zinc/50/68/51/872506851.db2.gz YNLNXYMSBURTFO-UHFFFAOYSA-N 1 0 387.443 3.894 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(OCc4ccccc4)CC3)C2=O)cc1 ZINC000182590198 872584741 /nfs/dbraw/zinc/58/47/41/872584741.db2.gz DWCORNVSPXVQOV-QHCPKHFHSA-N 1 0 389.499 3.735 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)C1CC1 ZINC000775671184 872616593 /nfs/dbraw/zinc/61/65/93/872616593.db2.gz PJRNDJZYOBRISU-HXUWFJFHSA-N 1 0 396.466 3.760 20 30 GHEDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)oc21 ZINC000182657113 872633451 /nfs/dbraw/zinc/63/34/51/872633451.db2.gz XMKZBTOCOVRTPE-MAUKXSAKSA-N 1 0 380.444 3.794 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)CC2)nc1 ZINC000619465645 872661547 /nfs/dbraw/zinc/66/15/47/872661547.db2.gz YCOBXMHGBCYLFF-JOCHJYFZSA-N 1 0 398.514 3.775 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000619476862 872673212 /nfs/dbraw/zinc/67/32/12/872673212.db2.gz VLOWAOMRGARONA-SFHVURJKSA-N 1 0 397.544 3.606 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000541073716 872854447 /nfs/dbraw/zinc/85/44/47/872854447.db2.gz DXOHSGUJKKOIBL-HOTGVXAUSA-N 1 0 392.503 3.889 20 30 GHEDRO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541073690 872854987 /nfs/dbraw/zinc/85/49/87/872854987.db2.gz CLLUQZYAIZIZJX-MSOLQXFVSA-N 1 0 379.504 3.807 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccnn3-c3ccc(F)cc3)CC2)nc1 ZINC000527233121 872887341 /nfs/dbraw/zinc/88/73/41/872887341.db2.gz UEALMRREOOGZJB-UHFFFAOYSA-N 1 0 391.450 3.758 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000152852399 872919612 /nfs/dbraw/zinc/91/96/12/872919612.db2.gz CWABHAZLMOHBDU-OAHLLOKOSA-N 1 0 379.342 3.784 20 30 GHEDRO COc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000619739356 872941014 /nfs/dbraw/zinc/94/10/14/872941014.db2.gz NJMXRZRKIMZFSN-FDDCHVKYSA-N 1 0 385.552 3.783 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619755848 872967758 /nfs/dbraw/zinc/96/77/58/872967758.db2.gz WATMQMZFQNPPST-ZDUSSCGKSA-N 1 0 385.851 3.505 20 30 GHEDRO C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619760511 872972519 /nfs/dbraw/zinc/97/25/19/872972519.db2.gz UZJKIINAUYCKNR-JXFKEZNVSA-N 1 0 396.922 3.921 20 30 GHEDRO N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cnc1C(F)(F)F ZINC000549424993 872980055 /nfs/dbraw/zinc/98/00/55/872980055.db2.gz VHZGZSOJIOMPQX-KRWDZBQOSA-N 1 0 388.393 3.539 20 30 GHEDRO C[C@@H](NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1)c1cccs1 ZINC000102387777 872989955 /nfs/dbraw/zinc/98/99/55/872989955.db2.gz FIVQUGPDFRWMGC-OAHLLOKOSA-O 1 0 397.545 3.818 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619810838 873037632 /nfs/dbraw/zinc/03/76/32/873037632.db2.gz QWEJEDMEOWURAY-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO COc1ccc(C[NH+]2CCC(NC(=S)Nc3ccccc3C#N)CC2)cc1 ZINC001196335152 873040221 /nfs/dbraw/zinc/04/02/21/873040221.db2.gz MLQMXSUAERRPHX-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000619848801 873075143 /nfs/dbraw/zinc/07/51/43/873075143.db2.gz YSRRXODGEBWPHU-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871898 873123389 /nfs/dbraw/zinc/12/33/89/873123389.db2.gz FXRVCRWRKORVLA-HXUWFJFHSA-N 1 0 389.499 3.552 20 30 GHEDRO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746496084 873137253 /nfs/dbraw/zinc/13/72/53/873137253.db2.gz TZUFTLOQPGLHOU-AYBNGVQBSA-N 1 0 381.564 3.531 20 30 GHEDRO COc1cccc(/C=N/Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1O ZINC000768267830 873199277 /nfs/dbraw/zinc/19/92/77/873199277.db2.gz DSHDFNJSTOJTGM-LFVJCYFKSA-N 1 0 379.504 3.552 20 30 GHEDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000768336423 873242168 /nfs/dbraw/zinc/24/21/68/873242168.db2.gz DHCFPYHEFPALCV-NRFANRHFSA-N 1 0 393.487 3.848 20 30 GHEDRO C[C@H](C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000464186676 873373017 /nfs/dbraw/zinc/37/30/17/873373017.db2.gz PTXSYAASRITAQC-AVRDEDQJSA-N 1 0 399.498 3.944 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000541328531 873378190 /nfs/dbraw/zinc/37/81/90/873378190.db2.gz HYMWHJUNQZDDCC-FQEVSTJZSA-N 1 0 391.519 3.984 20 30 GHEDRO CC(C)(C)C(F)(F)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595651514 873427148 /nfs/dbraw/zinc/42/71/48/873427148.db2.gz BVGTWBOUTWNPFB-UHFFFAOYSA-N 1 0 378.467 3.503 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@]2(C#N)CCCOC2)cc1)C[C@H]1CCCCO1 ZINC000867213946 873486748 /nfs/dbraw/zinc/48/67/48/873486748.db2.gz DCCDTMGGDSNGTO-FYYLOGMGSA-N 1 0 399.535 3.725 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858016799 882728409 /nfs/dbraw/zinc/72/84/09/882728409.db2.gz ILKZJSQLRRSFDC-HXUWFJFHSA-N 1 0 393.487 3.761 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858018820 882731788 /nfs/dbraw/zinc/73/17/88/882731788.db2.gz DBRGMOBTFXERRD-FQEVSTJZSA-N 1 0 390.487 3.703 20 30 GHEDRO COc1cccc([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)OC)c1 ZINC000527739511 873543569 /nfs/dbraw/zinc/54/35/69/873543569.db2.gz OISKCVYGHHTHAF-JOCHJYFZSA-N 1 0 390.487 3.950 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000134128004 882748246 /nfs/dbraw/zinc/74/82/46/882748246.db2.gz CZIXCKQMKNNRAD-SUMDDJOVSA-N 1 0 381.442 3.986 20 30 GHEDRO O=C(NCCc1cccs1)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177059315 882757539 /nfs/dbraw/zinc/75/75/39/882757539.db2.gz PFEASBPNPHUICW-UHFFFAOYSA-N 1 0 386.948 3.824 20 30 GHEDRO C=Cc1ccc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000464433317 873835509 /nfs/dbraw/zinc/83/55/09/873835509.db2.gz FOTRRBFLQHLLGA-UHFFFAOYSA-N 1 0 376.504 3.517 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192109902 882770519 /nfs/dbraw/zinc/77/05/19/882770519.db2.gz QRDSCLPSLPWXCP-YLJYHZDGSA-N 1 0 390.842 3.858 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NCc3ccc(Cl)cc3)CC2)c1 ZINC001197601118 873935359 /nfs/dbraw/zinc/93/53/59/873935359.db2.gz GGNXHKYUSJXUSF-UHFFFAOYSA-N 1 0 398.963 3.840 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000769327024 873967134 /nfs/dbraw/zinc/96/71/34/873967134.db2.gz SXEKJTQCVBTYET-SFHVURJKSA-N 1 0 385.508 3.801 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](CCC)C2CCN(c3cc(C)nc(C)n3)CC2)cc1 ZINC000769422557 874038659 /nfs/dbraw/zinc/03/86/59/874038659.db2.gz JRYOPIZYPXCDJO-UHFFFAOYSA-N 1 0 392.547 3.986 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+](C3CCCC3)[C@H](C)C2)cc1 ZINC001197796444 874053263 /nfs/dbraw/zinc/05/32/63/874053263.db2.gz DOAUDHLRNOLAJM-UXHICEINSA-N 1 0 382.552 3.579 20 30 GHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000494674996 882790894 /nfs/dbraw/zinc/79/08/94/882790894.db2.gz RZSZOLVGUJEXJC-QGZVFWFLSA-N 1 0 391.924 3.588 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000464574792 874099232 /nfs/dbraw/zinc/09/92/32/874099232.db2.gz DKRYMUBANIMDSQ-SFHVURJKSA-N 1 0 378.476 3.549 20 30 GHEDRO C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C(C)(C)C ZINC001197937485 874130651 /nfs/dbraw/zinc/13/06/51/874130651.db2.gz PBHVDRRNTPTQLW-UHFFFAOYSA-N 1 0 380.467 3.777 20 30 GHEDRO CC#CCCCC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000464650954 874234946 /nfs/dbraw/zinc/23/49/46/874234946.db2.gz SNQALCAWEICSKN-UHFFFAOYSA-N 1 0 395.469 3.527 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000464660431 874244608 /nfs/dbraw/zinc/24/46/08/874244608.db2.gz HDJJDMWGPOSSDN-GOSISDBHSA-N 1 0 378.476 3.549 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](CCC3(C#N)CCCCC3)CC2)C1 ZINC001198156724 874252445 /nfs/dbraw/zinc/25/24/45/874252445.db2.gz JOQHTDZRAVHZGX-UHFFFAOYSA-N 1 0 391.556 3.952 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)CC1 ZINC001198658024 874548915 /nfs/dbraw/zinc/54/89/15/874548915.db2.gz TWULINPNCMENOU-UHFFFAOYSA-N 1 0 376.504 3.542 20 30 GHEDRO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](Cc1cncc(C#N)c1)CC2 ZINC001198620065 874551008 /nfs/dbraw/zinc/55/10/08/874551008.db2.gz BIIDFKVAIZOQQD-IBGZPJMESA-N 1 0 384.524 3.811 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](CCCC#N)c3ccccc3)c2)CC1 ZINC000487531872 874555816 /nfs/dbraw/zinc/55/58/16/874555816.db2.gz DZMZWBNMVCRDKD-HSZRJFAPSA-N 1 0 390.531 3.599 20 30 GHEDRO CN(C)c1ccc(C2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)cc1 ZINC000775888427 874560276 /nfs/dbraw/zinc/56/02/76/874560276.db2.gz YZJOFAUFLLAMJA-FQEVSTJZSA-N 1 0 394.544 3.671 20 30 GHEDRO CO[C@]1(C)C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000464826769 874587723 /nfs/dbraw/zinc/58/77/23/874587723.db2.gz HJXAGTYWWHISMT-OXQOHEQNSA-N 1 0 375.538 3.572 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)nc2ccc(Br)cc21 ZINC001198830268 874633888 /nfs/dbraw/zinc/63/38/88/874633888.db2.gz JHWGMLSZMOGEQS-HNNXBMFYSA-N 1 0 388.309 3.686 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000528506995 874677597 /nfs/dbraw/zinc/67/75/97/874677597.db2.gz NAFJFSYRBDQZHH-GCJKJVERSA-N 1 0 386.442 3.860 20 30 GHEDRO C=C[C@@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000192220670 882855147 /nfs/dbraw/zinc/85/51/47/882855147.db2.gz NDRNYBLTKKMKFT-GMAHTHKFSA-N 1 0 378.516 3.754 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000770806416 874878302 /nfs/dbraw/zinc/87/83/02/874878302.db2.gz WMXDLXFTJKMRJR-QGZVFWFLSA-N 1 0 378.472 3.574 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528715163 874925581 /nfs/dbraw/zinc/92/55/81/874925581.db2.gz LFYMQIGQQKRKQB-INIZCTEOSA-N 1 0 380.492 3.851 20 30 GHEDRO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)o1 ZINC000775960544 874973191 /nfs/dbraw/zinc/97/31/91/874973191.db2.gz XQFFCCADUAXASW-UHFFFAOYSA-N 1 0 376.412 3.903 20 30 GHEDRO C=CCC[C@H](CC)[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449516657 874984090 /nfs/dbraw/zinc/98/40/90/874984090.db2.gz HBPLDCVTSVUTLI-HKUYNNGSSA-N 1 0 378.582 3.950 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC001199534442 875040045 /nfs/dbraw/zinc/04/00/45/875040045.db2.gz GQLXUNUNOKINBB-UHFFFAOYSA-N 1 0 394.475 3.965 20 30 GHEDRO C=CCSc1ncccc1C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001199745475 875162333 /nfs/dbraw/zinc/16/23/33/875162333.db2.gz AXHLZYTVKJPPBW-IYARVYRRSA-N 1 0 382.533 3.667 20 30 GHEDRO Cc1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1C#N ZINC001201323465 875633752 /nfs/dbraw/zinc/63/37/52/875633752.db2.gz FVCUSEAAXDFDEC-UHFFFAOYSA-N 1 0 383.517 3.696 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000776165220 875680608 /nfs/dbraw/zinc/68/06/08/875680608.db2.gz OPCHPKRJOWWHOL-HSZRJFAPSA-N 1 0 388.515 3.993 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCC/C=C/c2ccc(Br)cc2)CC1 ZINC000772115929 875706483 /nfs/dbraw/zinc/70/64/83/875706483.db2.gz KLWWUOYHZMHOMO-HWKANZROSA-N 1 0 376.294 3.741 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC001137048519 875766488 /nfs/dbraw/zinc/76/64/88/875766488.db2.gz VXLYYMHYZHUKEQ-OUKQBFOZSA-N 1 0 376.500 3.857 20 30 GHEDRO CCCCCCCCCCC[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001201631032 875774377 /nfs/dbraw/zinc/77/43/77/875774377.db2.gz LGKWVDVZAYGYAY-HXUWFJFHSA-N 1 0 382.589 3.903 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001201776730 875874976 /nfs/dbraw/zinc/87/49/76/875874976.db2.gz JELMBHSHESROGZ-NHCUHLMSSA-N 1 0 378.582 3.634 20 30 GHEDRO C=CCN(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000772381831 875931777 /nfs/dbraw/zinc/93/17/77/875931777.db2.gz MOZLKCZWSKGYGB-KRWDZBQOSA-N 1 0 377.488 3.767 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000271913544 876024447 /nfs/dbraw/zinc/02/44/47/876024447.db2.gz YKHHXXPAQKJKSH-XGCWNURASA-N 1 0 381.545 3.611 20 30 GHEDRO Cc1cccc(C[NH+]2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491960898 876054221 /nfs/dbraw/zinc/05/42/21/876054221.db2.gz RTIQBDPOOBWVAW-UHFFFAOYSA-N 1 0 385.515 3.585 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nn1 ZINC001202288510 876108490 /nfs/dbraw/zinc/10/84/90/876108490.db2.gz DAMYXQUJUDVJBQ-HNNXBMFYSA-N 1 0 380.323 3.920 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cccc(CC)c2)cc1 ZINC000151920292 876122758 /nfs/dbraw/zinc/12/27/58/876122758.db2.gz BUZJLRFQUYVPBF-UHFFFAOYSA-O 1 0 393.536 3.883 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2cccc(C#N)c2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000450328777 876264322 /nfs/dbraw/zinc/26/43/22/876264322.db2.gz DGJASKRIBLZFNJ-INIZCTEOSA-N 1 0 380.448 3.778 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ncc(Br)cc1C#N ZINC000450401927 876382469 /nfs/dbraw/zinc/38/24/69/876382469.db2.gz IUVVIPCQJXWIDU-UHFFFAOYSA-N 1 0 393.251 3.816 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000108517825 876482998 /nfs/dbraw/zinc/48/29/98/876482998.db2.gz MWJGQHMASGZGJY-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCSC1 ZINC000443919431 876752530 /nfs/dbraw/zinc/75/25/30/876752530.db2.gz NDZOPKWHIKIOFP-OAQYLSRUSA-N 1 0 396.516 3.909 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc(OC)c1OC ZINC000786848170 876982855 /nfs/dbraw/zinc/98/28/55/876982855.db2.gz INNQKDSAPWOOFO-MRXNPFEDSA-N 1 0 395.503 3.813 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450856428 877015968 /nfs/dbraw/zinc/01/59/68/877015968.db2.gz IHHCLJVIAZMRAF-VAKZPMALSA-N 1 0 399.560 3.957 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000786981425 877086243 /nfs/dbraw/zinc/08/62/43/877086243.db2.gz YGZGGNSPLDOZHD-AOMKIAJQSA-N 1 0 398.453 3.819 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc2)nc1 ZINC000609977527 877240363 /nfs/dbraw/zinc/24/03/63/877240363.db2.gz QNYDPLLJUHLUOT-FQEVSTJZSA-N 1 0 390.487 3.836 20 30 GHEDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000610002135 877275677 /nfs/dbraw/zinc/27/56/77/877275677.db2.gz FMMDSKSZMWQAMP-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO CCCCCCCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109649921 877308742 /nfs/dbraw/zinc/30/87/42/877308742.db2.gz OEJGWEJZVUFCPN-OAQYLSRUSA-N 1 0 386.584 3.803 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1CC[NH+](C)CC1 ZINC000610027990 877317965 /nfs/dbraw/zinc/31/79/65/877317965.db2.gz UQGOUJVAWDLZEZ-HNNXBMFYSA-N 1 0 379.464 3.597 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)ccc1NC)[C@@H](C)Cc1ccc(O)cc1 ZINC001183049999 912219377 /nfs/dbraw/zinc/21/93/77/912219377.db2.gz JORJJXJQWKWXFT-KRWDZBQOSA-N 1 0 394.519 3.977 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000610139720 877424578 /nfs/dbraw/zinc/42/45/78/877424578.db2.gz AGPVMCNCOFFLQH-KWOQKUFVSA-N 1 0 393.531 3.977 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccccc3O)sc2C1 ZINC000109772645 877428665 /nfs/dbraw/zinc/42/86/65/877428665.db2.gz FVCNMYGJXCXQEB-CQSZACIVSA-N 1 0 383.517 3.911 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000175708025 877479330 /nfs/dbraw/zinc/47/93/30/877479330.db2.gz FURIUCYVNJTQFI-ZIAGYGMSSA-N 1 0 383.414 3.967 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)CC(C)(C)CC#N)CCCC1)c1ccccc1 ZINC000451193072 877557466 /nfs/dbraw/zinc/55/74/66/877557466.db2.gz XCQQXYWEBXLHTH-QGZVFWFLSA-N 1 0 377.554 3.509 20 30 GHEDRO N#CCn1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc2ccccc21 ZINC000609160994 877757685 /nfs/dbraw/zinc/75/76/85/877757685.db2.gz UDJBDAYOFAIBGQ-IBGZPJMESA-N 1 0 378.501 3.793 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CCCOc2ccc(C#N)cc2)C1 ZINC000787998624 877767212 /nfs/dbraw/zinc/76/72/12/877767212.db2.gz YSQDNIKOJYEWQS-JOCHJYFZSA-N 1 0 385.508 3.803 20 30 GHEDRO CC1(C(=O)OCc2ccc(OCC#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000772710696 877778509 /nfs/dbraw/zinc/77/85/09/877778509.db2.gz ITHRZICNOTWVJN-UHFFFAOYSA-N 1 0 378.472 3.934 20 30 GHEDRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551802312 877817110 /nfs/dbraw/zinc/81/71/10/877817110.db2.gz CWCSZHIYLMOQOP-DJJJIMSYSA-N 1 0 399.292 3.834 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)o2)cc1 ZINC000285415294 912281792 /nfs/dbraw/zinc/28/17/92/912281792.db2.gz BOWJVWKQHJYPQS-HKBOAZHASA-N 1 0 386.455 3.613 20 30 GHEDRO COc1ccc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1C#N ZINC000746727598 877864186 /nfs/dbraw/zinc/86/41/86/877864186.db2.gz DLNLSEVBZREGMA-KRWDZBQOSA-N 1 0 392.503 3.592 20 30 GHEDRO N#Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1Br ZINC000451409169 877906829 /nfs/dbraw/zinc/90/68/29/877906829.db2.gz GJZSUNIPOZFLLC-INIZCTEOSA-N 1 0 390.325 3.848 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1C#N ZINC000451418054 877944193 /nfs/dbraw/zinc/94/41/93/877944193.db2.gz LXOPRZXBZDREAX-CEWLAPEOSA-N 1 0 398.551 3.656 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000175954410 878011579 /nfs/dbraw/zinc/01/15/79/878011579.db2.gz ILTDATWDASDAKU-UHFFFAOYSA-N 1 0 389.421 3.618 20 30 GHEDRO C=CCOc1cccnc1C(=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000776557952 878013157 /nfs/dbraw/zinc/01/31/57/878013157.db2.gz LPBDEIWKEMYMEV-HXUWFJFHSA-N 1 0 378.472 3.566 20 30 GHEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1(C)C ZINC000451492712 878039228 /nfs/dbraw/zinc/03/92/28/878039228.db2.gz DUNKMBRQVGVZAG-QABNGEJJSA-N 1 0 375.538 3.526 20 30 GHEDRO C#CCC1(C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)CCCCC1 ZINC000788423653 878052416 /nfs/dbraw/zinc/05/24/16/878052416.db2.gz NPLPFBBAYUVFNB-UHFFFAOYSA-N 1 0 383.536 3.671 20 30 GHEDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H]1C ZINC000451522868 878083870 /nfs/dbraw/zinc/08/38/70/878083870.db2.gz BVPOGFMDDZUVJC-HDMKZQKVSA-N 1 0 389.565 3.820 20 30 GHEDRO CCO[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C ZINC000451539799 878099757 /nfs/dbraw/zinc/09/97/57/878099757.db2.gz KJSUUVMCNNRLDJ-LZLYRXPVSA-N 1 0 375.538 3.766 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]C1(c3ccc(C#N)cc3)CCC1)O2 ZINC000852217964 878149167 /nfs/dbraw/zinc/14/91/67/878149167.db2.gz OXGOAIHXKNVQLQ-LJQANCHMSA-N 1 0 397.519 3.696 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460551036 878164312 /nfs/dbraw/zinc/16/43/12/878164312.db2.gz LOAGEJYNLCZSMQ-VQIMIIECSA-N 1 0 399.514 3.806 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460568808 878169521 /nfs/dbraw/zinc/16/95/21/878169521.db2.gz ZGWVZQQRDPBUEK-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460561704 878187732 /nfs/dbraw/zinc/18/77/32/878187732.db2.gz XDVGAWNQAWPXPV-IBGZPJMESA-N 1 0 376.508 3.560 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OC ZINC000788640983 878232057 /nfs/dbraw/zinc/23/20/57/878232057.db2.gz UXIIISDXLUMBSN-CZUORRHYSA-N 1 0 384.436 3.717 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]C(C)(C)c1cccc(C#N)c1)O2 ZINC000852353839 878273502 /nfs/dbraw/zinc/27/35/02/878273502.db2.gz PRJGMDJSLGTUJK-SFHVURJKSA-N 1 0 385.508 3.551 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000451669355 878289731 /nfs/dbraw/zinc/28/97/31/878289731.db2.gz AJZWFJQFBGHSLV-FUPPJEDESA-N 1 0 382.479 3.697 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000451676065 878294591 /nfs/dbraw/zinc/29/45/91/878294591.db2.gz RQJKQAZCVBERKJ-UARRHKHWSA-N 1 0 381.516 3.785 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)ccc1F ZINC000852473452 878354889 /nfs/dbraw/zinc/35/48/89/878354889.db2.gz NWJKBJHEHZFGTK-MAUKXSAKSA-N 1 0 397.416 3.853 20 30 GHEDRO O=C(N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)C1)C(F)(F)F ZINC000852478664 878365529 /nfs/dbraw/zinc/36/55/29/878365529.db2.gz WPENJMLYNDSNNW-OALUTQOASA-N 1 0 378.438 3.694 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460773580 878540535 /nfs/dbraw/zinc/54/05/35/878540535.db2.gz VFWHWMVFOORLHJ-CTNGQTDRSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCCOCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000537951435 878574187 /nfs/dbraw/zinc/57/41/87/878574187.db2.gz NFKNQEJFNBXTPC-HNNXBMFYSA-N 1 0 387.261 3.687 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000852843994 878631739 /nfs/dbraw/zinc/63/17/39/878631739.db2.gz MFWYUYPCCVJFEU-UHFFFAOYSA-N 1 0 379.407 3.770 20 30 GHEDRO COc1ccc([C@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2Cl)c(C)c1 ZINC000852844308 878632046 /nfs/dbraw/zinc/63/20/46/878632046.db2.gz CRCHACVJMARBDD-QHCPKHFHSA-N 1 0 396.918 3.866 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000451903433 878673035 /nfs/dbraw/zinc/67/30/35/878673035.db2.gz QCKDFKMRNKAEGA-KRWDZBQOSA-N 1 0 388.581 3.557 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180286915 878744637 /nfs/dbraw/zinc/74/46/37/878744637.db2.gz JXDOQTOYWDCNNA-GOSISDBHSA-N 1 0 380.492 3.514 20 30 GHEDRO N#Cc1cc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)ccc1F ZINC000452019617 878817579 /nfs/dbraw/zinc/81/75/79/878817579.db2.gz FVUUOUYMYGKBCG-PKOBYXMFSA-N 1 0 377.385 3.817 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460932580 878852303 /nfs/dbraw/zinc/85/23/03/878852303.db2.gz WCZUFDSTPPMISG-CTNGQTDRSA-N 1 0 397.567 3.908 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460960229 878914030 /nfs/dbraw/zinc/91/40/30/878914030.db2.gz QZVZYZORCGQTNK-QGZVFWFLSA-N 1 0 387.503 3.665 20 30 GHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3sccc3C#N)cc2)C[C@@H]1C ZINC000538241865 879068503 /nfs/dbraw/zinc/06/85/03/879068503.db2.gz BZINHFABXFSSHW-IRXDYDNUSA-N 1 0 397.544 3.559 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@H]1C ZINC000531137272 879219773 /nfs/dbraw/zinc/21/97/73/879219773.db2.gz NTLQTASKHHXNJQ-MAKTXDPSSA-N 1 0 398.551 3.762 20 30 GHEDRO CCCn1c(C)cc(C(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1C ZINC000853722876 879242700 /nfs/dbraw/zinc/24/27/00/879242700.db2.gz PRRUIILNCZOYJH-UHFFFAOYSA-N 1 0 383.492 3.585 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(-c2ccncc2)n1 ZINC000789740281 879255392 /nfs/dbraw/zinc/25/53/92/879255392.db2.gz UDXIZGCGPASUIJ-WOJBJXKFSA-N 1 0 391.475 3.540 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[N@@H+]1C ZINC000616972029 879275321 /nfs/dbraw/zinc/27/53/21/879275321.db2.gz IJCOQSOKBUFRKT-IBGZPJMESA-N 1 0 379.464 3.549 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000188704702 879351715 /nfs/dbraw/zinc/35/17/15/879351715.db2.gz ZJAJZLUWJZEMTD-UHFFFAOYSA-N 1 0 395.507 3.926 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3cccs3)C2)c(F)c1 ZINC000068991002 879387188 /nfs/dbraw/zinc/38/71/88/879387188.db2.gz ZUELQESTJRXFNK-INIZCTEOSA-N 1 0 381.480 3.908 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670209828 879406948 /nfs/dbraw/zinc/40/69/48/879406948.db2.gz OWQYZCMTSNMHRU-OAQYLSRUSA-N 1 0 395.551 3.636 20 30 GHEDRO CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000790135875 879475468 /nfs/dbraw/zinc/47/54/68/879475468.db2.gz SHYSUTPPJBQHCX-UHFFFAOYSA-N 1 0 386.205 3.586 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000543702677 879562809 /nfs/dbraw/zinc/56/28/09/879562809.db2.gz BYISYSGFVLQCJH-GOSISDBHSA-N 1 0 394.519 3.903 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000493714991 879606374 /nfs/dbraw/zinc/60/63/74/879606374.db2.gz ZGBSPAQNYFNIRZ-FQEVSTJZSA-N 1 0 385.305 3.890 20 30 GHEDRO CCS[C@@H]1CCCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000112089044 879694761 /nfs/dbraw/zinc/69/47/61/879694761.db2.gz HWUPYXGDWSLTCW-IAGOWNOFSA-N 1 0 380.517 3.831 20 30 GHEDRO C=CC[C@]1(C(=O)NCCC2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790676682 879904803 /nfs/dbraw/zinc/90/48/03/879904803.db2.gz MQKVVTVVBSMGKY-JOCHJYFZSA-N 1 0 393.572 3.570 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000247195798 879940499 /nfs/dbraw/zinc/94/04/99/879940499.db2.gz QODMBBGSUUGTMF-SJORKVTESA-N 1 0 389.565 3.892 20 30 GHEDRO CC(C)N1C(=O)C[C@H]([NH2+]CCCSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494211297 879998009 /nfs/dbraw/zinc/99/80/09/879998009.db2.gz FLGKFHVPAGDHDG-WMZOPIPTSA-N 1 0 383.920 3.766 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000494219464 880003676 /nfs/dbraw/zinc/00/36/76/880003676.db2.gz JRGBZRGQWCWYLG-FPOVZHCZSA-N 1 0 383.442 3.828 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494220807 880016072 /nfs/dbraw/zinc/01/60/72/880016072.db2.gz SJSQXBHOSLAVQM-IEBWSBKVSA-N 1 0 375.806 3.551 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531715849 880348378 /nfs/dbraw/zinc/34/83/78/880348378.db2.gz NJUFCKCSCORCJT-BEFAXECRSA-N 1 0 398.457 3.812 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000113321966 880516198 /nfs/dbraw/zinc/51/61/98/880516198.db2.gz FSPYNNVKMPQHLH-UHFFFAOYSA-N 1 0 389.421 3.871 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1 ZINC000113337046 880518623 /nfs/dbraw/zinc/51/86/23/880518623.db2.gz NDBLOXRRZKOTOU-UHFFFAOYSA-N 1 0 390.277 3.768 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC ZINC000113348122 880520740 /nfs/dbraw/zinc/52/07/40/880520740.db2.gz FTCPACUVBFWKLN-INIZCTEOSA-N 1 0 385.420 3.583 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(SCC#N)c1)C1CC1 ZINC000185342410 880550259 /nfs/dbraw/zinc/55/02/59/880550259.db2.gz MHMYTSBLVAPDLZ-NRFANRHFSA-N 1 0 379.529 3.943 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Nc3cccc(SC)c3)cn2)CC1 ZINC000855529553 880566939 /nfs/dbraw/zinc/56/69/39/880566939.db2.gz PDCIDSIMMGFSCC-UHFFFAOYSA-N 1 0 380.517 3.831 20 30 GHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000429524216 880825100 /nfs/dbraw/zinc/82/51/00/880825100.db2.gz ZIMDIIRNVFRUAK-VQTJNVASSA-N 1 0 398.482 3.591 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000531960036 880826567 /nfs/dbraw/zinc/82/65/67/880826567.db2.gz OJJCETNFUNZZKO-LJQANCHMSA-N 1 0 385.895 3.788 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000453365940 880849298 /nfs/dbraw/zinc/84/92/98/880849298.db2.gz LWUUEENZHWQNKA-DZGCQCFKSA-N 1 0 391.284 3.962 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453446976 880915368 /nfs/dbraw/zinc/91/53/68/880915368.db2.gz OYIHXNPLPVDSBN-UHFFFAOYSA-N 1 0 383.540 3.580 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000453473061 880990300 /nfs/dbraw/zinc/99/03/00/880990300.db2.gz ZJTRUOVGFFGZQO-VQTJNVASSA-N 1 0 387.572 3.798 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000453451866 881005834 /nfs/dbraw/zinc/00/58/34/881005834.db2.gz KLUZLWXZQVYKGS-TZIWHRDSSA-N 1 0 395.551 3.664 20 30 GHEDRO COc1ccc(COC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1C#N ZINC000747063764 881015278 /nfs/dbraw/zinc/01/52/78/881015278.db2.gz HFLKPSFWFKQLDO-GOSISDBHSA-N 1 0 382.435 3.661 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000113981191 881022062 /nfs/dbraw/zinc/02/20/62/881022062.db2.gz JAHWNUJDHBWQCF-SJLPKXTDSA-N 1 0 386.521 3.531 20 30 GHEDRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C#N)cc2OC)cn1 ZINC000792366472 881057989 /nfs/dbraw/zinc/05/79/89/881057989.db2.gz VAYCEPNLFUQLJB-JOCHJYFZSA-N 1 0 390.487 3.519 20 30 GHEDRO C=CCc1cc(OCC)cc(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1O ZINC000919938504 881210419 /nfs/dbraw/zinc/21/04/19/881210419.db2.gz HXDDARPRSCWRQY-LJQANCHMSA-N 1 0 399.487 3.586 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NCCc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000499144117 881271449 /nfs/dbraw/zinc/27/14/49/881271449.db2.gz VGKWKLXABMMHPV-JOCHJYFZSA-N 1 0 376.504 3.546 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476792620 883132202 /nfs/dbraw/zinc/13/22/02/883132202.db2.gz PBTWGKYKEHNBOX-GTROLIPKSA-N 1 0 398.551 3.668 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2)c1 ZINC000181853945 883188997 /nfs/dbraw/zinc/18/89/97/883188997.db2.gz ZRBUHETZXGXZKP-FUHWJXTLSA-N 1 0 381.476 3.536 20 30 GHEDRO CSc1ccc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000858567543 883204980 /nfs/dbraw/zinc/20/49/80/883204980.db2.gz ZPVUKHBCEZDWIP-CSKARUKUSA-N 1 0 385.558 3.945 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000183107112 883239251 /nfs/dbraw/zinc/23/92/51/883239251.db2.gz ATWNJVQOJTWTKZ-AEFFLSMTSA-N 1 0 381.451 3.967 20 30 GHEDRO CN(C(=O)c1ccc(NCc2c(F)cc(C#N)cc2F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000551091157 883272505 /nfs/dbraw/zinc/27/25/05/883272505.db2.gz LTFCVBNSBMIWSL-SFHVURJKSA-N 1 0 398.457 3.615 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)CCCCOc2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000609517274 883287509 /nfs/dbraw/zinc/28/75/09/883287509.db2.gz ZTLMIJUFWCZIIM-NRFANRHFSA-N 1 0 395.503 3.962 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)o1 ZINC000609589832 883389674 /nfs/dbraw/zinc/38/96/74/883389674.db2.gz MVZDCXMRLRXNIC-INIZCTEOSA-N 1 0 390.281 3.879 20 30 GHEDRO [NH2+]=C(NCc1ncc(-c2ccccc2)cn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000185591344 883561044 /nfs/dbraw/zinc/56/10/44/883561044.db2.gz NUBFOYGTRPVODV-UHFFFAOYSA-N 1 0 387.365 3.969 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000186526028 883661141 /nfs/dbraw/zinc/66/11/41/883661141.db2.gz UCYCWAWWTAOMMH-GOSISDBHSA-N 1 0 393.300 3.597 20 30 GHEDRO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214828 883668761 /nfs/dbraw/zinc/66/87/61/883668761.db2.gz UMGCTSCCUXSYLO-UHFFFAOYSA-N 1 0 398.938 3.780 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000859237748 883687628 /nfs/dbraw/zinc/68/76/28/883687628.db2.gz WDZYXSOPXUSLPC-XJKSGUPXSA-N 1 0 380.366 3.547 20 30 GHEDRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](C[NH2+]C1CC(C#N)(c3ccccc3)C1)O2 ZINC001183708736 912749562 /nfs/dbraw/zinc/74/95/62/912749562.db2.gz LQGCPJMVCXGLEX-XPUFJHFLSA-N 1 0 396.531 3.869 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C#N)CC[C@H]1C(F)(F)F ZINC000859606388 883935450 /nfs/dbraw/zinc/93/54/50/883935450.db2.gz NCXVEZJWYWKXNM-ZIAGYGMSSA-N 1 0 377.451 3.951 20 30 GHEDRO CCOc1cc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)ccc1OCC(F)(F)F ZINC000897602589 884055978 /nfs/dbraw/zinc/05/59/78/884055978.db2.gz RGBFCXKTGUJENI-UHFFFAOYSA-N 1 0 399.409 3.864 20 30 GHEDRO C[NH+]1CCC(CNC(=S)N(Cc2ccccc2)c2ccccc2C#N)CC1 ZINC000760475201 884138013 /nfs/dbraw/zinc/13/80/13/884138013.db2.gz DCIVEMPQBPUDFL-UHFFFAOYSA-N 1 0 378.545 3.781 20 30 GHEDRO N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805854851 884148844 /nfs/dbraw/zinc/14/88/44/884148844.db2.gz ZGUMZCDJGSFGAB-LJQANCHMSA-N 1 0 381.863 3.897 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)n(-c2nccs2)c1C)C(C)C ZINC000498356745 884173915 /nfs/dbraw/zinc/17/39/15/884173915.db2.gz ULBZVTOBFHQNDF-LJQANCHMSA-N 1 0 386.565 3.979 20 30 GHEDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(CCC#N)cc3)cc2)CC1 ZINC001170493807 884225383 /nfs/dbraw/zinc/22/53/83/884225383.db2.gz RQGKZZMQESMKDU-QHGAOEGBSA-N 1 0 376.504 3.514 20 30 GHEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000476287699 884375961 /nfs/dbraw/zinc/37/59/61/884375961.db2.gz IFDQXENOCCHMCQ-OAQYLSRUSA-N 1 0 377.488 3.649 20 30 GHEDRO C=C(C)C(=O)N1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001142511959 884387517 /nfs/dbraw/zinc/38/75/17/884387517.db2.gz GKYPCEJQJMASFQ-UHFFFAOYSA-N 1 0 378.516 3.903 20 30 GHEDRO N#CC[C@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000476299126 884393000 /nfs/dbraw/zinc/39/30/00/884393000.db2.gz IGQRWVGWGCAIHP-JOCHJYFZSA-N 1 0 391.515 3.917 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 ZINC000102751001 884402968 /nfs/dbraw/zinc/40/29/68/884402968.db2.gz FTQSPNZMVINXEH-UHFFFAOYSA-N 1 0 389.455 3.722 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(F)c1 ZINC000102802795 884467795 /nfs/dbraw/zinc/46/77/95/884467795.db2.gz PBLJMVQKLWOBDL-MRXNPFEDSA-N 1 0 392.381 3.723 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495080602 884506954 /nfs/dbraw/zinc/50/69/54/884506954.db2.gz RSMACHSZSOODRW-OXQOHEQNSA-N 1 0 394.494 3.719 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000102977013 884670312 /nfs/dbraw/zinc/67/03/12/884670312.db2.gz JPAAAANPXUNLMD-OAQYLSRUSA-N 1 0 395.528 3.612 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)CSc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000103063873 884702292 /nfs/dbraw/zinc/70/22/92/884702292.db2.gz PLQDBSIAWMGPGX-HXUWFJFHSA-N 1 0 395.528 3.612 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000806551085 884802799 /nfs/dbraw/zinc/80/27/99/884802799.db2.gz IDWZLVDMZGYQFQ-VJUVOTIISA-N 1 0 383.492 3.668 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=S)Nc2ccccc2C#N)[NH+](C)C)cc1 ZINC000806598515 884838201 /nfs/dbraw/zinc/83/82/01/884838201.db2.gz JEKOANAOVKZHBK-HXUWFJFHSA-N 1 0 382.533 3.935 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001183891837 912876575 /nfs/dbraw/zinc/87/65/75/912876575.db2.gz UETOYXACNXEEAZ-UHFFFAOYSA-N 1 0 390.531 3.647 20 30 GHEDRO N#CC1(COC(=O)c2ocnc2C(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000860855564 885055004 /nfs/dbraw/zinc/05/50/04/885055004.db2.gz ACYPPYFOBNLVCK-UHFFFAOYSA-N 1 0 375.375 3.575 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000777169896 885229244 /nfs/dbraw/zinc/22/92/44/885229244.db2.gz AWIGYDZBVQNVQP-UHFFFAOYSA-N 1 0 391.302 3.771 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Br)s1 ZINC000026250996 885356059 /nfs/dbraw/zinc/35/60/59/885356059.db2.gz YAUMQMHWYGOYHQ-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000500660960 885467548 /nfs/dbraw/zinc/46/75/48/885467548.db2.gz CJTUTDUSLAXKLF-QGZVFWFLSA-N 1 0 378.476 3.580 20 30 GHEDRO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104713552 885571552 /nfs/dbraw/zinc/57/15/52/885571552.db2.gz GFCVPTHFLYHVOD-UHFFFAOYSA-N 1 0 391.471 3.633 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1OC ZINC000807704113 885615992 /nfs/dbraw/zinc/61/59/92/885615992.db2.gz TYXHTPGHYFFXQH-HEFNWKINSA-N 1 0 398.478 3.831 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000032299253 885754368 /nfs/dbraw/zinc/75/43/68/885754368.db2.gz OKEVPSWBGRSQJD-UHFFFAOYSA-N 1 0 398.510 3.626 20 30 GHEDRO Oc1ccc(Br)cc1/C=N\CC1([NH+]2CCSCC2)CCCC1 ZINC000915112717 885794004 /nfs/dbraw/zinc/79/40/04/885794004.db2.gz DBTUBYFCOVAGFL-UNOMPAQXSA-N 1 0 383.355 3.935 20 30 GHEDRO CC(C)CCOC1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000532492894 885856478 /nfs/dbraw/zinc/85/64/78/885856478.db2.gz VVLPUBPBOXZFRG-GSVIPDFHSA-N 1 0 377.573 3.833 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153496543 885870951 /nfs/dbraw/zinc/87/09/51/885870951.db2.gz IMDLBWBETMMARF-KRWDZBQOSA-N 1 0 387.499 3.599 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)C1=O ZINC001275288216 912991461 /nfs/dbraw/zinc/99/14/61/912991461.db2.gz WPGAZXMACPHFEN-LJQANCHMSA-N 1 0 381.303 3.911 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)CC1 ZINC000084681212 886000675 /nfs/dbraw/zinc/00/06/75/886000675.db2.gz JJBDKDVYASJOJY-MWXLCCTBSA-N 1 0 388.600 3.550 20 30 GHEDRO N#Cc1c2c(cnc1NCc1nccc(Cl)n1)CCN2Cc1ccccc1 ZINC001170544936 886035937 /nfs/dbraw/zinc/03/59/37/886035937.db2.gz BTPUNZHZSHKIRS-UHFFFAOYSA-N 1 0 376.851 3.571 20 30 GHEDRO COCCCOc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000286958699 913001388 /nfs/dbraw/zinc/00/13/88/913001388.db2.gz BWJSUFMKNSTPPF-UHFFFAOYSA-N 1 0 393.531 3.728 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495562905 886108912 /nfs/dbraw/zinc/10/89/12/886108912.db2.gz OACRPCRSDPCTQC-QGZVFWFLSA-N 1 0 382.426 3.874 20 30 GHEDRO CCOc1cccc(/C=C/C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000862137638 886148542 /nfs/dbraw/zinc/14/85/42/886148542.db2.gz MJQXRPPIFLXJHR-MDZDMXLPSA-N 1 0 389.499 3.751 20 30 GHEDRO CC(C)[N@H+](CC(=O)NCCc1cccc2cccnc21)Cc1ccc(C#N)cc1 ZINC000153550567 886245963 /nfs/dbraw/zinc/24/59/63/886245963.db2.gz OSLUEUFSVCCVFG-UHFFFAOYSA-N 1 0 386.499 3.676 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000454157117 886319230 /nfs/dbraw/zinc/31/92/30/886319230.db2.gz BAYCVVZVATYHSD-UHFFFAOYSA-N 1 0 375.516 3.908 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000556844897 886337490 /nfs/dbraw/zinc/33/74/90/886337490.db2.gz VPAJVIWKIWEFSP-UHFFFAOYSA-N 1 0 377.941 3.693 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000808452950 886364306 /nfs/dbraw/zinc/36/43/06/886364306.db2.gz ACWWVJCSFPEBFU-ISKFKSNPSA-N 1 0 386.451 3.721 20 30 GHEDRO C=CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000056772322 886374281 /nfs/dbraw/zinc/37/42/81/886374281.db2.gz FQTBIDMQECPWAK-UHFFFAOYSA-N 1 0 390.487 3.863 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)C1 ZINC000919815475 886409393 /nfs/dbraw/zinc/40/93/93/886409393.db2.gz IHOFDJFNADCTLV-KDURUIRLSA-N 1 0 391.515 3.997 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H]1[NH+](C)C ZINC000495712431 886485066 /nfs/dbraw/zinc/48/50/66/886485066.db2.gz LAMNTJDUICHKTB-QUCCMNQESA-N 1 0 397.569 3.827 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)CC1 ZINC000119283748 886518531 /nfs/dbraw/zinc/51/85/31/886518531.db2.gz ADNUCXJOXKEPLE-UHFFFAOYSA-N 1 0 385.552 3.575 20 30 GHEDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)Cc1cc3ccn(C(C)=O)c3c(C#N)c1)C2 ZINC001168243009 886535474 /nfs/dbraw/zinc/53/54/74/886535474.db2.gz GQPJCMFLFUGJGI-IVZQSRNASA-N 1 0 387.483 3.870 20 30 GHEDRO C[C@H]([NH3+])c1ccn(-c2nc(C#C[Si](C)(C)C)ccc2NC(=O)C(C)(C)C)n1 ZINC001158350867 886730488 /nfs/dbraw/zinc/73/04/88/886730488.db2.gz PLAIKKVZNSZGKB-AWEZNQCLSA-N 1 0 383.572 3.501 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000454217003 886942483 /nfs/dbraw/zinc/94/24/83/886942483.db2.gz JEBYOASPQNMVDB-OAQYLSRUSA-N 1 0 398.482 3.588 20 30 GHEDRO COc1ccc([C@H]2CC[N@H+](Cn3c(C)nnc3-c3cccc(C#N)c3)C2)cc1F ZINC000863336337 887040397 /nfs/dbraw/zinc/04/03/97/887040397.db2.gz SRTCXRWQHFCPMV-IBGZPJMESA-N 1 0 391.450 3.720 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001131539544 887044526 /nfs/dbraw/zinc/04/45/26/887044526.db2.gz SMHWWEKNCMJIAA-FQEVSTJZSA-N 1 0 391.515 3.679 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1=S ZINC000153644164 887202518 /nfs/dbraw/zinc/20/25/18/887202518.db2.gz GGVPNVBPJPWPBV-GOSISDBHSA-N 1 0 389.544 3.636 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cn1 ZINC000105039498 887310473 /nfs/dbraw/zinc/31/04/73/887310473.db2.gz UHJCXRYUDPAVTE-UHFFFAOYSA-N 1 0 390.447 3.753 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000105046038 887329499 /nfs/dbraw/zinc/32/94/99/887329499.db2.gz VLTWKMVLUNMQML-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO C#CCOc1ccccc1-c1noc(/C=C/c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000809395714 887396247 /nfs/dbraw/zinc/39/62/47/887396247.db2.gz PKFNWRPOCVJXLJ-SDNWHVSQSA-N 1 0 389.455 3.859 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000119694524 887438271 /nfs/dbraw/zinc/43/82/71/887438271.db2.gz FJEZXENNSUXPDJ-SFHVURJKSA-N 1 0 379.504 3.794 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000188748116 887451634 /nfs/dbraw/zinc/45/16/34/887451634.db2.gz HDNSIOKVFHCZNU-UHFFFAOYSA-N 1 0 399.539 3.884 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)CC1 ZINC000171736574 887538473 /nfs/dbraw/zinc/53/84/73/887538473.db2.gz PCVYYRTVWSGCHL-UHFFFAOYSA-N 1 0 392.503 3.735 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC001168500692 887563733 /nfs/dbraw/zinc/56/37/33/887563733.db2.gz JCRQTRZMCZVNOC-JKSUJKDBSA-N 1 0 383.414 3.978 20 30 GHEDRO C#C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000809683513 887702952 /nfs/dbraw/zinc/70/29/52/887702952.db2.gz DMDXPQGINCSUHB-SFHVURJKSA-N 1 0 387.483 3.871 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Cc1c(F)cccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000575943687 887880575 /nfs/dbraw/zinc/88/05/75/887880575.db2.gz MXESCJLCEZQZQD-GOSISDBHSA-N 1 0 393.384 3.678 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)Cc2ccccc2C1 ZINC001184404401 913190489 /nfs/dbraw/zinc/19/04/89/913190489.db2.gz GZSKWTDEZLIMAD-HXUWFJFHSA-N 1 0 393.918 3.729 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508885018 887939160 /nfs/dbraw/zinc/93/91/60/887939160.db2.gz LPKLHKNNZIYCKM-HXUWFJFHSA-N 1 0 391.519 3.991 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)cc3C)CC2)C1=O ZINC001275308168 913205442 /nfs/dbraw/zinc/20/54/42/913205442.db2.gz LGEYUSYEIIVECO-FQEVSTJZSA-N 1 0 389.337 3.595 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000194178553 888089080 /nfs/dbraw/zinc/08/90/80/888089080.db2.gz LHYPOMMXPMDEKK-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO N#Cc1cc(C#N)cc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001170596565 888131578 /nfs/dbraw/zinc/13/15/78/888131578.db2.gz PULWULGCKBVMFC-RUZDIDTESA-N 1 0 396.494 3.905 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000194342972 888228887 /nfs/dbraw/zinc/22/88/87/888228887.db2.gz UUGULHSDIMELJE-UHFFFAOYSA-N 1 0 381.476 3.723 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000763232075 888377057 /nfs/dbraw/zinc/37/70/57/888377057.db2.gz QKZHUYLMBXWIBV-PMACEKPBSA-N 1 0 387.886 3.811 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cc(NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000865564723 888446669 /nfs/dbraw/zinc/44/66/69/888446669.db2.gz OWWLUCBPLTYZPV-UHFFFAOYSA-N 1 0 390.409 3.541 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCC2(O)CCN(c3ccccc3)CC2)cc1 ZINC000865688557 888516406 /nfs/dbraw/zinc/51/64/06/888516406.db2.gz GSHVAZWQJQXORB-UHFFFAOYSA-N 1 0 392.547 3.548 20 30 GHEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)c1ccc(Cl)cc1 ZINC000810470868 888547049 /nfs/dbraw/zinc/54/70/49/888547049.db2.gz LEFVADIZQJAZMI-FQEVSTJZSA-N 1 0 397.906 3.611 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2nc3ccccc3n2C)c1C ZINC000915967248 888583696 /nfs/dbraw/zinc/58/36/96/888583696.db2.gz FYDLMFIKNKIOLK-IBGZPJMESA-N 1 0 378.524 3.922 20 30 GHEDRO Cc1ncc(CO)c(/C=N/Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1O ZINC000915980116 888594926 /nfs/dbraw/zinc/59/49/26/888594926.db2.gz XEHMIHCEFPTSMB-QNOMYKJPSA-N 1 0 381.520 3.685 20 30 GHEDRO Cc1ncc(CO)c(/C=N/Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000915981792 888597296 /nfs/dbraw/zinc/59/72/96/888597296.db2.gz HLZHBDBYDMJWFO-QNOMYKJPSA-N 1 0 381.520 3.685 20 30 GHEDRO C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810662348 888785451 /nfs/dbraw/zinc/78/54/51/888785451.db2.gz AVZLRDFLXUCUPQ-WIYYLYMNSA-N 1 0 378.472 3.585 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001184563807 913291596 /nfs/dbraw/zinc/29/15/96/913291596.db2.gz KZKHYGOVXPKWQW-SFHVURJKSA-N 1 0 385.855 3.951 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000454440192 889073637 /nfs/dbraw/zinc/07/36/37/889073637.db2.gz SEJYRVWYAZBETG-UHFFFAOYSA-N 1 0 386.418 3.741 20 30 GHEDRO C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N(C)Cc1ccc(Br)s1 ZINC000121678169 889082120 /nfs/dbraw/zinc/08/21/20/889082120.db2.gz CZLGVIHEHDXERT-JTQLQIEISA-N 1 0 399.358 3.926 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)c1ccccc1 ZINC000121874729 889190521 /nfs/dbraw/zinc/19/05/21/889190521.db2.gz ARDHYXIEWGMKCY-SFTDATJTSA-N 1 0 395.503 3.895 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000867968400 889242864 /nfs/dbraw/zinc/24/28/64/889242864.db2.gz BTVIOIVFXJDDBV-UHFFFAOYSA-N 1 0 376.504 3.538 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000454581688 889315593 /nfs/dbraw/zinc/31/55/93/889315593.db2.gz BMFCXCWJMWUCPV-UZLBHIALSA-N 1 0 380.467 3.550 20 30 GHEDRO CCC[N@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1ccc(C#N)cc1 ZINC000532921125 889336663 /nfs/dbraw/zinc/33/66/63/889336663.db2.gz UGAPGVOGDKDPCE-UHFFFAOYSA-N 1 0 378.476 3.735 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 ZINC000868208797 889353167 /nfs/dbraw/zinc/35/31/67/889353167.db2.gz BSUIKNLNMLVABI-SJKOYZFVSA-N 1 0 376.382 3.681 20 30 GHEDRO CCCN(CC(=O)Nc1sccc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000532952869 889367733 /nfs/dbraw/zinc/36/77/33/889367733.db2.gz ZYVOCUFAXGVZNY-FQEVSTJZSA-N 1 0 396.560 3.935 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1 ZINC000532989500 889473733 /nfs/dbraw/zinc/47/37/33/889473733.db2.gz LYVXVPKGBVPHRA-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000454670634 889499032 /nfs/dbraw/zinc/49/90/32/889499032.db2.gz YXIBPWFVKKQVRE-SFHVURJKSA-N 1 0 384.505 3.713 20 30 GHEDRO COC(C)(C)C[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000533022669 889527399 /nfs/dbraw/zinc/52/73/99/889527399.db2.gz KQGRUFYKQBNQFL-UHFFFAOYSA-N 1 0 394.519 3.523 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1C ZINC000533053525 889633354 /nfs/dbraw/zinc/63/33/54/889633354.db2.gz MFHWGXTXPKKQGS-SJBKTWHCSA-N 1 0 396.579 3.887 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001184742453 913405080 /nfs/dbraw/zinc/40/50/80/913405080.db2.gz YGHWPGQQIYPTHB-YVNJGZBMSA-N 1 0 376.504 3.985 20 30 GHEDRO C=CC(C)(C)CNC(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000455037802 890206627 /nfs/dbraw/zinc/20/66/27/890206627.db2.gz VQURWLOCELKMEN-UHFFFAOYSA-N 1 0 394.947 3.745 20 30 GHEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000533309882 890220775 /nfs/dbraw/zinc/22/07/75/890220775.db2.gz XACRQEUNFPATML-AZUAARDMSA-N 1 0 399.498 3.636 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]3(CCCOC3)C2)sc2c1CCCC2 ZINC000533309348 890223687 /nfs/dbraw/zinc/22/36/87/890223687.db2.gz LJIOWFPGEQMCSJ-OAQYLSRUSA-N 1 0 387.549 3.720 20 30 GHEDRO COc1cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533303445 890253727 /nfs/dbraw/zinc/25/37/27/890253727.db2.gz XFVRTYVOXZVDJB-JOCHJYFZSA-N 1 0 391.515 3.814 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1OCc1ccncc1 ZINC000105642670 890480738 /nfs/dbraw/zinc/48/07/38/890480738.db2.gz KSXIFGVBRFUJIP-UHFFFAOYSA-N 1 0 377.419 3.970 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170676355 890564632 /nfs/dbraw/zinc/56/46/32/890564632.db2.gz AEPPACFAUCWWGB-IBGZPJMESA-N 1 0 395.453 3.588 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000812515855 890708701 /nfs/dbraw/zinc/70/87/01/890708701.db2.gz PTUIUTXHLMWOLX-AWEZNQCLSA-N 1 0 395.316 3.686 20 30 GHEDRO C=CCC(C)(C)CNC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000455405691 890896841 /nfs/dbraw/zinc/89/68/41/890896841.db2.gz UBLZBDRJIRJKME-UHFFFAOYSA-N 1 0 386.540 3.511 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cc1 ZINC000812865942 891084354 /nfs/dbraw/zinc/08/43/54/891084354.db2.gz JTVLPOVREVBREC-QHCPKHFHSA-N 1 0 380.488 3.911 20 30 GHEDRO CC(C)CC[NH+](CCC(C)C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000917097390 891119387 /nfs/dbraw/zinc/11/93/87/891119387.db2.gz QKYGBOHZULDEFI-SFHVURJKSA-N 1 0 382.508 3.906 20 30 GHEDRO C=CC1(CC(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000825586759 891200039 /nfs/dbraw/zinc/20/00/39/891200039.db2.gz KRZVGETVNNNMCU-QZTJIDSGSA-N 1 0 393.572 3.521 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)NCC(C)(C)CCC#N)CCOCC1)c1ccccc1 ZINC000497358059 891208863 /nfs/dbraw/zinc/20/88/63/891208863.db2.gz LNJISOKTKNICFD-SFHVURJKSA-N 1 0 386.540 3.516 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C2)CC1 ZINC000533699188 891213387 /nfs/dbraw/zinc/21/33/87/891213387.db2.gz WJPYOTKHKOYIAG-LJQANCHMSA-N 1 0 393.487 3.534 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccccc21 ZINC000872220616 891213481 /nfs/dbraw/zinc/21/34/81/891213481.db2.gz QKAIDKGZJLYOTN-IRXDYDNUSA-N 1 0 387.524 3.806 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000872246324 891217330 /nfs/dbraw/zinc/21/73/30/891217330.db2.gz NLMZQRFQKSZFMO-LJQANCHMSA-N 1 0 385.439 3.868 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813030583 891228401 /nfs/dbraw/zinc/22/84/01/891228401.db2.gz NAIMCJJLWBAESY-VXKWHMMOSA-N 1 0 395.478 3.645 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001126752590 891400680 /nfs/dbraw/zinc/40/06/80/891400680.db2.gz GVZYWOCYUOODGU-UGKGYDQZSA-N 1 0 376.500 3.872 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000128267379 891539701 /nfs/dbraw/zinc/53/97/01/891539701.db2.gz GVQJYMAHFQUPOH-UHFFFAOYSA-N 1 0 398.576 3.658 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873303254 891568749 /nfs/dbraw/zinc/56/87/49/891568749.db2.gz HFPPHMIQZFECFF-HTAPYJJXSA-N 1 0 376.460 3.732 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(N(C)C)cc3Cl)CC2)C1=O ZINC001275370027 913588638 /nfs/dbraw/zinc/58/86/38/913588638.db2.gz IKOGRZWQOPEQNB-OAQYLSRUSA-N 1 0 375.944 3.797 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873694460 891756998 /nfs/dbraw/zinc/75/69/98/891756998.db2.gz GXAZRKCWYCQMLA-UHFFFAOYSA-N 1 0 380.540 3.761 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1)C1CC[NH+](C)CC1 ZINC000917330948 891786482 /nfs/dbraw/zinc/78/64/82/891786482.db2.gz GTPYUQBQNNSEDH-MRXNPFEDSA-N 1 0 382.533 3.610 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)o1 ZINC000615060174 891887867 /nfs/dbraw/zinc/88/78/67/891887867.db2.gz LNRHKTBIKHNEIT-UHFFFAOYSA-N 1 0 396.491 3.508 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CCCCO)C2CC2)c1C#N ZINC000152525345 891996017 /nfs/dbraw/zinc/99/60/17/891996017.db2.gz CJWVPSGXQITEML-UHFFFAOYSA-N 1 0 386.540 3.657 20 30 GHEDRO C=C(Br)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000125133682 892311827 /nfs/dbraw/zinc/31/18/27/892311827.db2.gz JTVORZBQVLBTMZ-JTQLQIEISA-N 1 0 376.092 3.664 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455588481 892326984 /nfs/dbraw/zinc/32/69/84/892326984.db2.gz GYSONFUIFGTNRQ-IBGZPJMESA-N 1 0 386.446 3.638 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814176552 892335089 /nfs/dbraw/zinc/33/50/89/892335089.db2.gz RSZNLHAFXRADPC-FPOVZHCZSA-N 1 0 384.520 3.920 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000497851242 892552541 /nfs/dbraw/zinc/55/25/41/892552541.db2.gz FOEXQVMMTBIFGE-HXUWFJFHSA-N 1 0 375.561 3.816 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000875406940 892597841 /nfs/dbraw/zinc/59/78/41/892597841.db2.gz HFXWNHYBNUSOPN-QWFMPGPPSA-N 1 0 382.430 3.581 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000271748172 892876976 /nfs/dbraw/zinc/87/69/76/892876976.db2.gz KBCFFTVBYUCFCV-GOSISDBHSA-N 1 0 395.503 3.520 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)CC1 ZINC000747956000 892918130 /nfs/dbraw/zinc/91/81/30/892918130.db2.gz ZNFRGNWASNBMLR-HXUWFJFHSA-N 1 0 384.568 3.564 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)N(C)CC(C)(C)C#N)cc2Cl)CC1 ZINC000814620742 892972433 /nfs/dbraw/zinc/97/24/33/892972433.db2.gz FHIVPIBKAVEXBR-UHFFFAOYSA-N 1 0 391.947 3.885 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCc1ccc(OC)c(OC)c1OC ZINC000778164535 893012327 /nfs/dbraw/zinc/01/23/27/893012327.db2.gz GNYVZLRAWOIGCA-UHFFFAOYSA-N 1 0 389.879 3.710 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657853 893016351 /nfs/dbraw/zinc/01/63/51/893016351.db2.gz TYVIKSBNGSLSGF-INIZCTEOSA-N 1 0 395.459 3.643 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1C ZINC000933486583 893055083 /nfs/dbraw/zinc/05/50/83/893055083.db2.gz UVALQWUGZMPDPE-QAPCUYQASA-N 1 0 386.455 3.892 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1ccc(CC#N)cc1Cl)CCC(F)(F)F ZINC000455731713 893112289 /nfs/dbraw/zinc/11/22/89/893112289.db2.gz LQPMAWJDXOXXIX-UHFFFAOYSA-N 1 0 376.810 3.802 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1Br)N(C)Cc1cc(C#N)cs1 ZINC000933779305 893213167 /nfs/dbraw/zinc/21/31/67/893213167.db2.gz XKDZPHNKCNFARM-LLVKDONJSA-N 1 0 378.295 3.841 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(Cc3cccc(Cl)c3)CC2)cc1 ZINC000562999106 893259703 /nfs/dbraw/zinc/25/97/03/893259703.db2.gz XABWSWZWOXUQLD-UHFFFAOYSA-N 1 0 388.920 3.598 20 30 GHEDRO CCC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(Br)cc1C(F)(F)F ZINC000814897187 893262150 /nfs/dbraw/zinc/26/21/50/893262150.db2.gz GQSBWCPWQPEKOJ-MRVPVSSYSA-N 1 0 377.208 3.519 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455781254 893266499 /nfs/dbraw/zinc/26/64/99/893266499.db2.gz IWJOOBJFUYDJIS-HUUCEWRRSA-N 1 0 375.904 3.725 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)cc1 ZINC000876692626 893292290 /nfs/dbraw/zinc/29/22/90/893292290.db2.gz WIUWWSMGBGDUDN-UHFFFAOYSA-N 1 0 391.515 3.563 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137114301 893388308 /nfs/dbraw/zinc/38/83/08/893388308.db2.gz FWMODIHODVRRNY-UHFFFAOYSA-N 1 0 383.492 3.590 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272808 893549317 /nfs/dbraw/zinc/54/93/17/893549317.db2.gz ARBJIYFJGGVFAZ-QWHCGFSZSA-N 1 0 398.322 3.943 20 30 GHEDRO N#Cc1cccc(OCC[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000536742174 893673457 /nfs/dbraw/zinc/67/34/57/893673457.db2.gz VDDHRBGPSGFQLL-QGZVFWFLSA-N 1 0 377.366 3.504 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877584134 893703533 /nfs/dbraw/zinc/70/35/33/893703533.db2.gz OTHUFRBKLUTLLX-SFHVURJKSA-N 1 0 381.442 3.805 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cnn(CC2CCC2)c1 ZINC000934557367 893712412 /nfs/dbraw/zinc/71/24/12/893712412.db2.gz OYRDLRVCMZSISX-KGLIPLIRSA-N 1 0 397.548 3.783 20 30 GHEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000877615082 893721623 /nfs/dbraw/zinc/72/16/23/893721623.db2.gz MTLKHPBIRSOINH-QUGAMOGWSA-N 1 0 377.469 3.835 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1C#N ZINC000288539878 913799873 /nfs/dbraw/zinc/79/98/73/913799873.db2.gz WQMDPGSJRBSUKR-UHFFFAOYSA-N 1 0 380.492 3.874 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC000877816049 893823888 /nfs/dbraw/zinc/82/38/88/893823888.db2.gz BNXAJXMFAJHPSE-JKSUJKDBSA-N 1 0 383.414 3.693 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000877921353 893895085 /nfs/dbraw/zinc/89/50/85/893895085.db2.gz JHZMBBWWFFORKS-XMMPIXPASA-N 1 0 389.499 3.778 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000877926790 893898612 /nfs/dbraw/zinc/89/86/12/893898612.db2.gz REHPBHHUKXYLHR-DEOSSOPVSA-N 1 0 375.516 3.635 20 30 GHEDRO COc1ccc(N2CCC[N@H+](CC[C@](C#N)(C(C)=O)c3ccccc3)CC2)cc1 ZINC000877985349 893930409 /nfs/dbraw/zinc/93/04/09/893930409.db2.gz WUXJDZHDDSNINH-DEOSSOPVSA-N 1 0 391.515 3.648 20 30 GHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000563682834 894064380 /nfs/dbraw/zinc/06/43/80/894064380.db2.gz JJBLCJHJEDLAQA-UZUQRXQVSA-N 1 0 390.487 3.621 20 30 GHEDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000459688969 894076136 /nfs/dbraw/zinc/07/61/36/894076136.db2.gz DLKVSJYVZFRUSM-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000459722394 894106507 /nfs/dbraw/zinc/10/65/07/894106507.db2.gz WREVNUOPMGPUPS-DZGCQCFKSA-N 1 0 396.329 3.960 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC000878255751 894133142 /nfs/dbraw/zinc/13/31/42/894133142.db2.gz SKSWFUJIAXEFLL-DHJUGAMNSA-N 1 0 399.535 3.662 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(-c2ccncc2)n1 ZINC000563757135 894153147 /nfs/dbraw/zinc/15/31/47/894153147.db2.gz ZEYWANFFFOLFRK-XMMPIXPASA-N 1 0 399.498 3.828 20 30 GHEDRO C[C@@]12CN(C(=O)Nc3cccc(OCC#N)c3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000878282328 894157841 /nfs/dbraw/zinc/15/78/41/894157841.db2.gz SRUUCCAWHMNJRO-WMZHIEFXSA-N 1 0 390.487 3.575 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c(C)c1)C(=S)NC[C@H]1CCCO1 ZINC000022691052 894282122 /nfs/dbraw/zinc/28/21/22/894282122.db2.gz LTDANLJZAUCMQC-HXUWFJFHSA-O 1 0 397.564 3.861 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1CCC[C@@H](Oc2ncccc2F)C1)c1ccccc1 ZINC000878525181 894359713 /nfs/dbraw/zinc/35/97/13/894359713.db2.gz YFYOZNUUHLLHQL-KNQAVFIVSA-N 1 0 381.451 3.505 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](COc2ccccc2)c2ccccc2)cc1 ZINC000537115722 894366684 /nfs/dbraw/zinc/36/66/84/894366684.db2.gz ORZWQEFOCUXDSJ-HSZRJFAPSA-N 1 0 385.467 3.584 20 30 GHEDRO C[C@H](Oc1ccccc1NC(=O)N(CCC#N)CCC[NH+](C)C)C(F)(F)F ZINC000288757103 913867298 /nfs/dbraw/zinc/86/72/98/913867298.db2.gz HOTFOSLOFPFJCR-AWEZNQCLSA-N 1 0 386.418 3.715 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC000897547756 894527832 /nfs/dbraw/zinc/52/78/32/894527832.db2.gz GLZKUGJGOKHXEB-NSISKUIASA-N 1 0 399.535 3.866 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccccc1 ZINC000878937620 894736873 /nfs/dbraw/zinc/73/68/73/894736873.db2.gz YESDMUFRYSFPEG-RPBOFIJWSA-N 1 0 389.543 3.676 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1F ZINC000564429457 894974224 /nfs/dbraw/zinc/97/42/24/894974224.db2.gz VTXWUICPEGDQGT-OAHLLOKOSA-N 1 0 388.393 3.762 20 30 GHEDRO Cc1c(Cl)cnc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000612085075 895175769 /nfs/dbraw/zinc/17/57/69/895175769.db2.gz QHDHDVFORDUNMA-GASCZTMLSA-N 1 0 376.932 3.631 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879669150 895217234 /nfs/dbraw/zinc/21/72/34/895217234.db2.gz IMUOOGLHDJMPTR-ARFHVFGLSA-N 1 0 395.425 3.817 20 30 GHEDRO Cc1c(I)cccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159590347 895249545 /nfs/dbraw/zinc/24/95/45/895249545.db2.gz JZUXXVMMIBBLJI-UHFFFAOYSA-N 1 0 389.240 3.902 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@H](c3nc(C)cs3)C2)cc1 ZINC000880006896 895444205 /nfs/dbraw/zinc/44/42/05/895444205.db2.gz YSFNNIJPMIYVKS-KRWDZBQOSA-N 1 0 398.532 3.586 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000565349795 895554369 /nfs/dbraw/zinc/55/43/69/895554369.db2.gz UAWAGEFVPKLBLL-QGZVFWFLSA-N 1 0 378.586 3.637 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)c(F)c1 ZINC000565648189 895784500 /nfs/dbraw/zinc/78/45/00/895784500.db2.gz DSASKEPHGVQVKI-UHFFFAOYSA-N 1 0 395.478 3.577 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)ccc1C#N ZINC000565689656 895811023 /nfs/dbraw/zinc/81/10/23/895811023.db2.gz JSKLZEMUGJRKJO-OAHLLOKOSA-N 1 0 385.895 3.747 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]CCCc3c(F)cccc3Cl)C2=O)cc1 ZINC000565754692 895853791 /nfs/dbraw/zinc/85/37/91/895853791.db2.gz BWXMGIGARIEJKU-HXUWFJFHSA-N 1 0 385.870 3.674 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1OC ZINC000818004850 895986919 /nfs/dbraw/zinc/98/69/19/895986919.db2.gz LTIMHBBQVYLJTE-ALCCZGGFSA-N 1 0 399.516 3.835 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C[C@@H]1C ZINC000880928278 896005932 /nfs/dbraw/zinc/00/59/32/896005932.db2.gz PHIGQXZEMGBWKM-RRQGHBQHSA-N 1 0 382.430 3.676 20 30 GHEDRO N#CCCN(Cc1ccco1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881133926 896181086 /nfs/dbraw/zinc/18/10/86/896181086.db2.gz YIVLONJAWDNAGQ-HXUWFJFHSA-N 1 0 393.491 3.512 20 30 GHEDRO CSc1ccccc1NC(=O)[C@@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000818613689 896218285 /nfs/dbraw/zinc/21/82/85/896218285.db2.gz XNSFAXOXGFJIIB-MRXNPFEDSA-N 1 0 399.516 3.623 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)n2cc(C[NH2+]C3CCCCC3)nn2)cc1 ZINC000881172901 896220732 /nfs/dbraw/zinc/22/07/32/896220732.db2.gz AFOSEBOWVLNUIA-GOSISDBHSA-N 1 0 394.523 3.517 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)ccc1OC ZINC000187237974 896277046 /nfs/dbraw/zinc/27/70/46/896277046.db2.gz ZTHXYNQNSQKATD-LJQANCHMSA-N 1 0 393.487 3.575 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCCC[NH+]2CCCCC2)s1 ZINC000819027062 896358317 /nfs/dbraw/zinc/35/83/17/896358317.db2.gz WOOHQACAYOBSID-UHFFFAOYSA-N 1 0 388.002 3.831 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC2CC[NH+](C(C)C)CC2)s1 ZINC000819028724 896358519 /nfs/dbraw/zinc/35/85/19/896358519.db2.gz PATFCFVQNZJYHM-UHFFFAOYSA-N 1 0 388.002 3.828 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[C@@H]2C1 ZINC000566616922 896425481 /nfs/dbraw/zinc/42/54/81/896425481.db2.gz QFVXATRLGNTBTE-LAUBAEHRSA-N 1 0 376.460 3.908 20 30 GHEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819172055 896444310 /nfs/dbraw/zinc/44/43/10/896444310.db2.gz VEEUOYOSWAMRQZ-XIKOKIGWSA-N 1 0 377.257 3.714 20 30 GHEDRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819172054 896444692 /nfs/dbraw/zinc/44/46/92/896444692.db2.gz VEEUOYOSWAMRQZ-SGTLLEGYSA-N 1 0 377.257 3.714 20 30 GHEDRO COc1ccc(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C#N ZINC000819183030 896450817 /nfs/dbraw/zinc/45/08/17/896450817.db2.gz SHEOHPZDTLDYFD-UHFFFAOYSA-N 1 0 377.366 3.704 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000819199143 896469255 /nfs/dbraw/zinc/46/92/55/896469255.db2.gz XZTXLUPFKGUDFX-UHFFFAOYSA-N 1 0 394.437 3.636 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000819231028 896521121 /nfs/dbraw/zinc/52/11/21/896521121.db2.gz PEJOHCNNRFOFAC-AWEZNQCLSA-N 1 0 385.986 3.535 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000819349879 896593241 /nfs/dbraw/zinc/59/32/41/896593241.db2.gz LZOKQSDCRCDDDY-IRXDYDNUSA-N 1 0 375.241 3.770 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)CCC(C)(C)C#N)cc2)C1 ZINC000567099966 896875419 /nfs/dbraw/zinc/87/54/19/896875419.db2.gz KJBCVXCOSNSBTL-ROUUACIJSA-N 1 0 391.581 3.524 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000567174292 896936949 /nfs/dbraw/zinc/93/69/49/896936949.db2.gz LUTRNAIVDFZIJJ-IIBYNOLFSA-N 1 0 377.463 3.681 20 30 GHEDRO Cc1ccc(C#N)c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000567243232 897003198 /nfs/dbraw/zinc/00/31/98/897003198.db2.gz ZUEIGOYFPVGWBF-NRFANRHFSA-N 1 0 376.504 3.602 20 30 GHEDRO C=CCc1cc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)cc(OC)c1O ZINC000567281909 897031002 /nfs/dbraw/zinc/03/10/02/897031002.db2.gz TYSNIMUSVBJZFW-UUOWRZLLSA-N 1 0 397.515 3.671 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000778585644 897135886 /nfs/dbraw/zinc/13/58/86/897135886.db2.gz VEVZOCBUJYMKRD-LPHOPBHVSA-N 1 0 395.507 3.614 20 30 GHEDRO C=CCC1(C(=O)OC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(OC)cc2)CCOCC1 ZINC000820079877 897139110 /nfs/dbraw/zinc/13/91/10/897139110.db2.gz QHNZKMNJUFPFSB-PZJWPPBQSA-N 1 0 387.520 3.994 20 30 GHEDRO O=C(c1ccccc1)C(C(=S)NCc1ccon1)[n+]1ccc2c(c1)CCCC2 ZINC000131112765 897324049 /nfs/dbraw/zinc/32/40/49/897324049.db2.gz XROQLTSZLYEJGS-UHFFFAOYSA-O 1 0 392.504 3.570 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)ccc1OC ZINC000883256243 897408331 /nfs/dbraw/zinc/40/83/31/897408331.db2.gz RCPWHYDDUICHSI-IBGZPJMESA-N 1 0 375.509 3.716 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000820611099 897409834 /nfs/dbraw/zinc/40/98/34/897409834.db2.gz SWXACVHSLZVKHH-UHFFFAOYSA-N 1 0 388.830 3.971 20 30 GHEDRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(OCC#N)cc1 ZINC000883275702 897431024 /nfs/dbraw/zinc/43/10/24/897431024.db2.gz ZLTOMHRMAAMJPT-FZKQIMNGSA-N 1 0 375.266 3.736 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccc(Cl)cc1F ZINC000820737562 897524461 /nfs/dbraw/zinc/52/44/61/897524461.db2.gz GCDAIJMXWGPYKN-IBGZPJMESA-N 1 0 379.907 3.915 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)CCCC[NH+]2CCCCC2)c1 ZINC000883412027 897569368 /nfs/dbraw/zinc/56/93/68/897569368.db2.gz ONHAJBNNHQHDTO-HXUWFJFHSA-N 1 0 386.540 3.775 20 30 GHEDRO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000821263330 897806580 /nfs/dbraw/zinc/80/65/80/897806580.db2.gz YEXFYRPUGFQRGP-UHFFFAOYSA-N 1 0 391.556 3.856 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000289477250 914205509 /nfs/dbraw/zinc/20/55/09/914205509.db2.gz QAVRHSDWSJQCFX-UHFFFAOYSA-N 1 0 377.492 3.621 20 30 GHEDRO CC[C@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587098 897959458 /nfs/dbraw/zinc/95/94/58/897959458.db2.gz MHDAUTVNTWTLNG-GJZGRUSLSA-N 1 0 375.538 3.717 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC001136492076 898041318 /nfs/dbraw/zinc/04/13/18/898041318.db2.gz PPSMQAFKRSOCIN-IBGZPJMESA-N 1 0 395.588 3.816 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC001136492077 898041676 /nfs/dbraw/zinc/04/16/76/898041676.db2.gz PPSMQAFKRSOCIN-LJQANCHMSA-N 1 0 395.588 3.816 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000106037101 898246982 /nfs/dbraw/zinc/24/69/82/898246982.db2.gz OCSZPUOQSRRARS-UHFFFAOYSA-N 1 0 377.488 3.709 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000106243439 898262481 /nfs/dbraw/zinc/26/24/81/898262481.db2.gz LUQHYZNYYDPVEV-MRXNPFEDSA-N 1 0 397.906 3.877 20 30 GHEDRO Clc1ccc(-c2nc(CO/[NH+]=C/c3ccc(N4CCOCC4)cc3)no2)cc1 ZINC000109061105 898414381 /nfs/dbraw/zinc/41/43/81/898414381.db2.gz LKQIQISFXZCZNH-LPYMAVHISA-N 1 0 398.850 3.777 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793691 898487143 /nfs/dbraw/zinc/48/71/43/898487143.db2.gz LLBOEFFQZMSQCS-JOCHJYFZSA-N 1 0 385.508 3.790 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000822577560 898490277 /nfs/dbraw/zinc/49/02/77/898490277.db2.gz SVFYCWONCYLAHO-UHFFFAOYSA-N 1 0 379.504 3.575 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](CCc3c(Cl)cccc3Cl)CC2)C1=O ZINC001276330550 914258418 /nfs/dbraw/zinc/25/84/18/914258418.db2.gz BEXZLDXWIVPNEQ-HXUWFJFHSA-N 1 0 379.331 3.874 20 30 GHEDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000133557613 898612692 /nfs/dbraw/zinc/61/26/92/898612692.db2.gz CDYJPXIOSREHRO-FQEVSTJZSA-N 1 0 394.544 3.847 20 30 GHEDRO COc1cc2c(cc1NC(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)oc1ccccc12 ZINC000884047434 898639985 /nfs/dbraw/zinc/63/99/85/898639985.db2.gz UCEGKQLIHTWDIX-BJCXIENYSA-N 1 0 375.428 3.672 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000822829401 898658594 /nfs/dbraw/zinc/65/85/94/898658594.db2.gz SSWSZFMOGIXEBV-UHFFFAOYSA-N 1 0 388.511 3.752 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)sc2c1CCCCC2 ZINC000569436540 898660110 /nfs/dbraw/zinc/66/01/10/898660110.db2.gz BEKMJEAWKYLNRN-CDHQVMDDSA-N 1 0 399.560 3.764 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000110194171 898669619 /nfs/dbraw/zinc/66/96/19/898669619.db2.gz ACUQKYIJMLHGDC-UHFFFAOYSA-N 1 0 395.503 3.823 20 30 GHEDRO Cc1sc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)nc1-c1cccc(Cl)c1 ZINC000884052108 898670686 /nfs/dbraw/zinc/67/06/86/898670686.db2.gz FDDSVKGRNSIIDL-BIWSTMPVSA-N 1 0 386.908 3.850 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1cc3ccccc3o1)c1ccccc1)C2 ZINC000884063982 898744687 /nfs/dbraw/zinc/74/46/87/898744687.db2.gz RYHZVWHLSMJLPS-ZUIALYHFSA-N 1 0 385.467 3.778 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C2 ZINC000884110359 898912783 /nfs/dbraw/zinc/91/27/83/898912783.db2.gz HKQVISSHRMVUSF-LDCXFNBKSA-N 1 0 395.453 3.504 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331533177 898963863 /nfs/dbraw/zinc/96/38/63/898963863.db2.gz FKGCIWLWFPANSW-MAFIZWJTSA-N 1 0 389.927 3.800 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)nc1 ZINC000569822877 898968794 /nfs/dbraw/zinc/96/87/94/898968794.db2.gz WMCWNKRAORXVBM-UHFFFAOYSA-N 1 0 377.366 3.647 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1C ZINC000331544498 898970904 /nfs/dbraw/zinc/97/09/04/898970904.db2.gz GYTWBLWWMLNYPL-OMZJQYJESA-N 1 0 397.563 3.812 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)C2 ZINC000884122564 898973448 /nfs/dbraw/zinc/97/34/48/898973448.db2.gz UXNJHQQXSMLIAO-VSOMRHIXSA-N 1 0 377.410 3.508 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)C(C)C ZINC000043847089 898983175 /nfs/dbraw/zinc/98/31/75/898983175.db2.gz JTPRJGGOHPXNQJ-HXUWFJFHSA-N 1 0 384.524 3.634 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000570135840 899149273 /nfs/dbraw/zinc/14/92/73/899149273.db2.gz ZYAUCVVHSUEPLA-HSZRJFAPSA-N 1 0 393.531 3.929 20 30 GHEDRO C[C@H]1CC2(C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642644 899154256 /nfs/dbraw/zinc/15/42/56/899154256.db2.gz HXAYRPBTBJRNOJ-PXNSSMCTSA-N 1 0 399.535 3.703 20 30 GHEDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331883888 899242830 /nfs/dbraw/zinc/24/28/30/899242830.db2.gz FIAIMBUDSBVDRV-OWCLPIDISA-N 1 0 389.565 3.699 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(CC#N)cc1 ZINC000570567304 899396207 /nfs/dbraw/zinc/39/62/07/899396207.db2.gz UNZZSZVKQQLTJG-UHFFFAOYSA-N 1 0 380.492 3.795 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000332157668 899442139 /nfs/dbraw/zinc/44/21/39/899442139.db2.gz OFNAYGXJSNVLJI-OAHLLOKOSA-N 1 0 384.446 3.719 20 30 GHEDRO C[NH+]=C(NCc1oc2ccccc2c1C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000156154276 899453611 /nfs/dbraw/zinc/45/36/11/899453611.db2.gz PHBUSEVNPXPTHG-LJQANCHMSA-N 1 0 399.535 3.867 20 30 GHEDRO N#CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000119698485 899667136 /nfs/dbraw/zinc/66/71/36/899667136.db2.gz RVLPOFDWZNIVRJ-VQFGERMISA-N 1 0 395.528 3.692 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C2 ZINC000884320086 899783612 /nfs/dbraw/zinc/78/36/12/899783612.db2.gz KKHMLYXYMOKYRN-QNXDWVCCSA-N 1 0 391.437 3.597 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000120535305 899838292 /nfs/dbraw/zinc/83/82/92/899838292.db2.gz VCWNESSVPBSNMA-INIZCTEOSA-N 1 0 375.538 3.768 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000825337995 900101890 /nfs/dbraw/zinc/10/18/90/900101890.db2.gz KOIWFKZONQQAFY-LJQANCHMSA-N 1 0 389.293 3.955 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2OCC#N)[NH+](C)C)cc1 ZINC000135260967 900210852 /nfs/dbraw/zinc/21/08/52/900210852.db2.gz IOUTYWMQCCUNBX-LJQANCHMSA-N 1 0 384.455 3.715 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1OC ZINC000572624696 900238809 /nfs/dbraw/zinc/23/88/09/900238809.db2.gz XIHLRMXXXDDCEM-ZDUSSCGKSA-N 1 0 387.867 3.827 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4cc(F)cc(C(F)(F)F)c4)CC3)cnc12 ZINC000572762703 900271739 /nfs/dbraw/zinc/27/17/39/900271739.db2.gz BCZDFYNEHWDPNJ-UHFFFAOYSA-N 1 0 389.356 3.580 20 30 GHEDRO N#Cc1ccc([C@H](O)C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)cc1 ZINC000844030214 900433976 /nfs/dbraw/zinc/43/39/76/900433976.db2.gz ZUOGGHHRTSZXDX-NRFANRHFSA-N 1 0 395.528 3.808 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000573771628 900631704 /nfs/dbraw/zinc/63/17/04/900631704.db2.gz LFAKYWVIMLLSPE-UHFFFAOYSA-N 1 0 384.442 3.725 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000573838720 900656225 /nfs/dbraw/zinc/65/62/25/900656225.db2.gz NNPOGFAVLHHHIP-IFXJQAMLSA-N 1 0 387.911 3.820 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCC1 ZINC000885983484 900666572 /nfs/dbraw/zinc/66/65/72/900666572.db2.gz HWMUDYUEDIYRTB-APWZRJJASA-N 1 0 387.911 3.533 20 30 GHEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886046695 900689820 /nfs/dbraw/zinc/68/98/20/900689820.db2.gz MUHXHZVYJPTZGT-SFHVURJKSA-N 1 0 389.565 3.510 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)/C=C(\C)C(=O)c2ccc(Br)cc2)CC1 ZINC001143886981 900689896 /nfs/dbraw/zinc/68/98/96/900689896.db2.gz OKGUVARSEPIOJI-BUHFOSPRSA-N 1 0 393.325 3.569 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@H+](C)CCCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000136605713 900732694 /nfs/dbraw/zinc/73/26/94/900732694.db2.gz OCAGMBDHLUMXPU-UHFFFAOYSA-N 1 0 391.515 3.882 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[N@@H+](CC)CC1 ZINC000574084749 900767673 /nfs/dbraw/zinc/76/76/73/900767673.db2.gz TYDHLIPTLKYVOW-UHFFFAOYSA-N 1 0 376.508 3.520 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)CCC1 ZINC000886174504 900861717 /nfs/dbraw/zinc/86/17/17/900861717.db2.gz BROLBAXKUAYUND-INIZCTEOSA-N 1 0 398.425 3.625 20 30 GHEDRO CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000844442688 900866216 /nfs/dbraw/zinc/86/62/16/900866216.db2.gz CLIBOVHIZHGXRV-UHFFFAOYSA-N 1 0 388.468 3.593 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056159828 900870334 /nfs/dbraw/zinc/87/03/34/900870334.db2.gz CRRSIUSZOVOYDS-CABCVRRESA-N 1 0 391.475 3.520 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000574441301 900894855 /nfs/dbraw/zinc/89/48/55/900894855.db2.gz HEOYCRPFALPBND-PZJWPPBQSA-N 1 0 382.895 3.575 20 30 GHEDRO CSc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC000886277064 900913055 /nfs/dbraw/zinc/91/30/55/900913055.db2.gz FSUGHFMVDQZBFH-UHFFFAOYSA-N 1 0 376.529 3.906 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000886345084 900943774 /nfs/dbraw/zinc/94/37/74/900943774.db2.gz RKAPZNWBUJHOSK-HNNXBMFYSA-N 1 0 383.414 3.679 20 30 GHEDRO COC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCCOC1 ZINC000886359669 900955367 /nfs/dbraw/zinc/95/53/67/900955367.db2.gz IBQPLTZIUVUBNJ-FYYLOGMGSA-N 1 0 380.488 3.668 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)c2)c1 ZINC000574671289 900960090 /nfs/dbraw/zinc/96/00/90/900960090.db2.gz VVNRFOUBMCSNRS-DNQXCXABSA-N 1 0 392.499 3.547 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)Nc3cc(C4CC4)ccn3)CC2)cc1 ZINC000290050807 914499339 /nfs/dbraw/zinc/49/93/39/914499339.db2.gz HOENBTUJHXDUEF-UHFFFAOYSA-N 1 0 375.476 3.570 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)c2)CCO1 ZINC000067976680 901070975 /nfs/dbraw/zinc/07/09/75/901070975.db2.gz DPIGPWVCESISAT-HXUWFJFHSA-N 1 0 392.547 3.547 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C(=O)NC1(C#N)CCC1 ZINC000575078749 901110509 /nfs/dbraw/zinc/11/05/09/901110509.db2.gz CNWPWYDCHSEKGM-RRQGHBQHSA-N 1 0 379.426 3.882 20 30 GHEDRO CC1([NH+]2CCCC2)CCC(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1 ZINC000886577042 901174797 /nfs/dbraw/zinc/17/47/97/901174797.db2.gz VRIUIJJFMSHPQG-UHFFFAOYSA-N 1 0 382.552 3.728 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2cccc(Cl)c2)cn1)C1CC[NH+](C)CC1 ZINC000886574393 901175125 /nfs/dbraw/zinc/17/51/25/901175125.db2.gz DHLAULZRLXBDAW-UHFFFAOYSA-N 1 0 383.879 3.697 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1C#N ZINC000886827300 901290050 /nfs/dbraw/zinc/29/00/50/901290050.db2.gz IZSPPJTWAWGUJA-PXNSSMCTSA-N 1 0 384.524 3.531 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000575875343 901416850 /nfs/dbraw/zinc/41/68/50/901416850.db2.gz YZOKPOMEOKRQJV-UTKZUKDTSA-N 1 0 387.549 3.549 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000576039648 901610439 /nfs/dbraw/zinc/61/04/39/901610439.db2.gz GWMFIYDUPASMLY-SFHVURJKSA-N 1 0 397.544 3.778 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)c1 ZINC000845002780 901633408 /nfs/dbraw/zinc/63/34/08/901633408.db2.gz NETLFCGNFKQVRB-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO C/C(=C/C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000845006996 901639831 /nfs/dbraw/zinc/63/98/31/901639831.db2.gz PQGJTZBSSKQUFQ-LGMDPLHJSA-N 1 0 377.463 3.881 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)c1=S ZINC000158526444 901675308 /nfs/dbraw/zinc/67/53/08/901675308.db2.gz ORVWKRSWEKDIPD-KRWDZBQOSA-N 1 0 395.532 3.810 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001144348649 901854311 /nfs/dbraw/zinc/85/43/11/901854311.db2.gz JZXPCSKSHDHQLD-LJQANCHMSA-N 1 0 397.441 3.556 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386753 901975710 /nfs/dbraw/zinc/97/57/10/901975710.db2.gz MUSOMSZRAIJXID-OALUTQOASA-N 1 0 385.426 3.985 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000333344685 902023252 /nfs/dbraw/zinc/02/32/52/902023252.db2.gz QIAQUNZLNHTQPZ-PBHICJAKSA-N 1 0 391.313 3.707 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 ZINC001171177842 902088398 /nfs/dbraw/zinc/08/83/98/902088398.db2.gz BCUNZCRSEIFETN-HRAATJIYSA-N 1 0 375.488 3.818 20 30 GHEDRO [NH2+]=C(Nc1cc(Br)cc2cncn21)c1ccc2cc(O)ccc2c1 ZINC001171185469 902213267 /nfs/dbraw/zinc/21/32/67/902213267.db2.gz LCCVCBWOTFZOHQ-UHFFFAOYSA-N 1 0 381.233 3.993 20 30 GHEDRO C[C@H](NC(=O)c1ccccc1SCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778962546 902244413 /nfs/dbraw/zinc/24/44/13/902244413.db2.gz VCRRSHWDOAMVGM-HKUYNNGSSA-N 1 0 379.529 3.943 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CC(C)(C)CC#N)o2)C1 ZINC001202760459 902253777 /nfs/dbraw/zinc/25/37/77/902253777.db2.gz RYWDAFNRJPFUSN-MRXNPFEDSA-N 1 0 375.513 3.867 20 30 GHEDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001144488267 902262511 /nfs/dbraw/zinc/26/25/11/902262511.db2.gz XEWUITXRRUCVRA-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)c1 ZINC000576792893 902266331 /nfs/dbraw/zinc/26/63/31/902266331.db2.gz PNPYJWZSUKAKLZ-GOEBONIOSA-N 1 0 397.548 3.525 20 30 GHEDRO Cc1cnn([C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)c1 ZINC000576792894 902266365 /nfs/dbraw/zinc/26/63/65/902266365.db2.gz PNPYJWZSUKAKLZ-HOCLYGCPSA-N 1 0 397.548 3.525 20 30 GHEDRO COC(=O)c1cccc(CN2CCC([NH2+][C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171195110 902282495 /nfs/dbraw/zinc/28/24/95/902282495.db2.gz OSACMSIOVPCILJ-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)cc1 ZINC001144571976 902403500 /nfs/dbraw/zinc/40/35/00/902403500.db2.gz MFJWQCBCXMDLOU-RLAPIPATSA-N 1 0 378.541 3.546 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)cc1 ZINC001144572174 902403740 /nfs/dbraw/zinc/40/37/40/902403740.db2.gz SJAUFEPWRDLKLS-QHCPKHFHSA-N 1 0 395.572 3.547 20 30 GHEDRO C[N@@H+](Cc1cnc(CCc2ccccc2)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006544 902587603 /nfs/dbraw/zinc/58/76/03/902587603.db2.gz IYSZGESCHQPAPY-NRFANRHFSA-N 1 0 377.513 3.965 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1OC ZINC000577240885 902609395 /nfs/dbraw/zinc/60/93/95/902609395.db2.gz JCHPDEXYWVKCGJ-FXAWDEMLSA-N 1 0 380.488 3.653 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001171208800 902634566 /nfs/dbraw/zinc/63/45/66/902634566.db2.gz FAGABRZSUBPVNA-MBSDFSHPSA-N 1 0 399.535 3.591 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000846106820 902719124 /nfs/dbraw/zinc/71/91/24/902719124.db2.gz KSIWCJYSURZECZ-UHFFFAOYSA-N 1 0 384.867 3.874 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001171216017 902721335 /nfs/dbraw/zinc/72/13/35/902721335.db2.gz FVGAVWOLXNDEHP-KPDCDPCYSA-N 1 0 395.478 3.726 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001171215559 902748778 /nfs/dbraw/zinc/74/87/78/902748778.db2.gz AOCKJNXJJOGOGV-MOFCZTIZSA-N 1 0 397.544 3.642 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001171215693 902749474 /nfs/dbraw/zinc/74/94/74/902749474.db2.gz CXTFFNRWQDAUQO-LAUBAEHRSA-N 1 0 397.473 3.517 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000264039765 902796242 /nfs/dbraw/zinc/79/62/42/902796242.db2.gz QZDNRJBLZWDEEO-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000577500044 902825826 /nfs/dbraw/zinc/82/58/26/902825826.db2.gz JOSSFCDSSYOWET-QFIPXVFZSA-N 1 0 391.540 3.637 20 30 GHEDRO CCOc1ccc([C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)c2ccccc2)cc1 ZINC000600717310 902840581 /nfs/dbraw/zinc/84/05/81/902840581.db2.gz KARWEBSDUODZBJ-GGAORHGYSA-N 1 0 394.515 3.836 20 30 GHEDRO Cc1ccccc1Oc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600719125 902843246 /nfs/dbraw/zinc/84/32/46/902843246.db2.gz BSIYDMLOWAIQGJ-HXUWFJFHSA-N 1 0 380.488 3.948 20 30 GHEDRO COc1cccc(-c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)cc2)c1 ZINC000600727618 902850229 /nfs/dbraw/zinc/85/02/29/902850229.db2.gz YKBHSNLZSKWYPM-OAQYLSRUSA-N 1 0 380.488 3.523 20 30 GHEDRO COc1cccc([C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2cc(F)ccc2OC)c1 ZINC000600727901 902851590 /nfs/dbraw/zinc/85/15/90/902851590.db2.gz LKZYDCZKHGUXDH-DYESRHJHSA-N 1 0 384.451 3.577 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)CCOCC1 ZINC000600731110 902854347 /nfs/dbraw/zinc/85/43/47/902854347.db2.gz UVNQCACUSVPXNW-PKTZIBPZSA-N 1 0 378.516 3.674 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2nc(-c3cc4ccccc4o3)cs2)CCOCC1 ZINC000600733162 902856485 /nfs/dbraw/zinc/85/64/85/902856485.db2.gz BXNPHQNINNDWEV-MRXNPFEDSA-N 1 0 397.500 3.717 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859672 903016051 /nfs/dbraw/zinc/01/60/51/903016051.db2.gz MBQHLIATJZNJMB-NRFANRHFSA-N 1 0 393.531 3.963 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2OCCOC)CC1 ZINC000264353684 903039992 /nfs/dbraw/zinc/03/99/92/903039992.db2.gz GGKRNUBOSFTAGN-UHFFFAOYSA-N 1 0 381.904 3.527 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4sccc4c(O)c3)CC2)c1 ZINC000846612306 903091669 /nfs/dbraw/zinc/09/16/69/903091669.db2.gz SAZLAOOYXDYUTG-UHFFFAOYSA-N 1 0 391.496 3.873 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000264580968 903214272 /nfs/dbraw/zinc/21/42/72/903214272.db2.gz VHCHOFFCOUDVGO-UHFFFAOYSA-N 1 0 383.879 3.590 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772958395 903342915 /nfs/dbraw/zinc/34/29/15/903342915.db2.gz GCVCWMQHLDRUAM-AWEZNQCLSA-N 1 0 387.867 3.758 20 30 GHEDRO N#CCOc1ccc(CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000264742115 903351913 /nfs/dbraw/zinc/35/19/13/903351913.db2.gz ZJUGPRMEVKERLD-UHFFFAOYSA-N 1 0 377.488 3.799 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000133921461 903442689 /nfs/dbraw/zinc/44/26/89/903442689.db2.gz AZGKBFIIBGXHHS-HXUWFJFHSA-N 1 0 385.471 3.763 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000264875013 903444312 /nfs/dbraw/zinc/44/43/12/903444312.db2.gz PKROXDIJIRTSBV-JKSUJKDBSA-N 1 0 397.544 3.521 20 30 GHEDRO N#CC1(Nc2nc(Cl)cc3nccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171274331 903465521 /nfs/dbraw/zinc/46/55/21/903465521.db2.gz BBBAOISRWLCAFW-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000578177568 903588378 /nfs/dbraw/zinc/58/83/78/903588378.db2.gz XPLZVQHQHHRWKQ-LAUBAEHRSA-N 1 0 390.535 3.846 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000578224483 903630007 /nfs/dbraw/zinc/63/00/07/903630007.db2.gz WQRHFPHHTVFAAE-MRXNPFEDSA-N 1 0 380.448 3.562 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001146895372 903632145 /nfs/dbraw/zinc/63/21/45/903632145.db2.gz RHSKNPDNTTWZIN-JOCHJYFZSA-N 1 0 378.516 3.822 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCc3c(Cl)ccc(OC)c3C1)C2 ZINC001171291968 903637757 /nfs/dbraw/zinc/63/77/57/903637757.db2.gz HILVWJWMKLEMJA-SJORKVTESA-N 1 0 398.934 3.701 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)c2)C1 ZINC000887736924 903695075 /nfs/dbraw/zinc/69/50/75/903695075.db2.gz LUBUDMIWAIALTB-XZOQPEGZSA-N 1 0 389.499 3.581 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(F)(F)c1ccccc1C#N ZINC001147204666 903724407 /nfs/dbraw/zinc/72/44/07/903724407.db2.gz PDKCJCCCTOOZDH-KRWDZBQOSA-N 1 0 383.442 3.773 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@H]2CCOC2)c1 ZINC000136521010 903789425 /nfs/dbraw/zinc/78/94/25/903789425.db2.gz XPZPTIXJOQJICL-GOSISDBHSA-O 1 0 397.564 3.971 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC(CCC[NH+](C)C)CC3)c2c1 ZINC000578388852 903793198 /nfs/dbraw/zinc/79/31/98/903793198.db2.gz VPBGNYRVBXXYCM-UHFFFAOYSA-N 1 0 382.508 3.682 20 30 GHEDRO O=C(NCC[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1)C1N=CC=CC1=O ZINC000772982157 903836814 /nfs/dbraw/zinc/83/68/14/903836814.db2.gz FUALSFDFUTZJLM-XKXPVHLMSA-N 1 0 395.890 3.740 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000772982945 903857521 /nfs/dbraw/zinc/85/75/21/903857521.db2.gz GHKXBWQJDISWFP-CKUXNOBLSA-N 1 0 393.531 3.747 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000578626136 904014358 /nfs/dbraw/zinc/01/43/58/904014358.db2.gz ASIIFYUKSPLWIW-INIZCTEOSA-N 1 0 393.457 3.527 20 30 GHEDRO C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)c1 ZINC001148614081 904137952 /nfs/dbraw/zinc/13/79/52/904137952.db2.gz NVQDRWUDWJCDOY-AYOQOUSVSA-N 1 0 380.517 3.507 20 30 GHEDRO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1C#N ZINC001148775328 904206989 /nfs/dbraw/zinc/20/69/89/904206989.db2.gz SLHHTKSZYCSKBV-OAQYLSRUSA-N 1 0 377.488 3.912 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c(-c2ccncc2)n1 ZINC000578949010 904247120 /nfs/dbraw/zinc/24/71/20/904247120.db2.gz ILYBKWMQTAIUHU-UHFFFAOYSA-N 1 0 395.898 3.546 20 30 GHEDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000152789220 904300721 /nfs/dbraw/zinc/30/07/21/904300721.db2.gz WBNVZGMHXYUTLC-UHFFFAOYSA-N 1 0 375.419 3.936 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)CC2 ZINC000579043443 904310509 /nfs/dbraw/zinc/31/05/09/904310509.db2.gz OHBIQISVYLSEEM-OAQYLSRUSA-N 1 0 395.528 3.510 20 30 GHEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773027539 904383415 /nfs/dbraw/zinc/38/34/15/904383415.db2.gz QXGHVLFYCCPZJW-MRXNPFEDSA-N 1 0 385.895 3.778 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[NH+](C)C)cc1 ZINC000579499007 904654456 /nfs/dbraw/zinc/65/44/56/904654456.db2.gz UTFBSFMJXUNNSZ-KRWDZBQOSA-N 1 0 390.409 3.567 20 30 GHEDRO N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1Nc1nccnc1C[NH3+] ZINC001171449586 904700131 /nfs/dbraw/zinc/70/01/31/904700131.db2.gz IRUMRXDJQCKHCP-UHFFFAOYSA-N 1 0 378.745 3.771 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)cc1Cl ZINC001171522350 904800383 /nfs/dbraw/zinc/80/03/83/904800383.db2.gz JSFAVKXYUFOETE-OAQYLSRUSA-N 1 0 397.906 3.813 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCc3cccc(C)c3C2)cc1 ZINC000429569936 904817876 /nfs/dbraw/zinc/81/78/76/904817876.db2.gz VICSVZIZRYIQKS-UHFFFAOYSA-N 1 0 377.488 3.699 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)C1=O ZINC001171593159 904819418 /nfs/dbraw/zinc/81/94/18/904819418.db2.gz KCQYTVHUMKCIEX-BZSNNMDCSA-N 1 0 393.572 3.567 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000188080710 904870404 /nfs/dbraw/zinc/87/04/04/904870404.db2.gz GTMKEPOHVNSZOP-UHFFFAOYSA-N 1 0 383.517 3.794 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CC[NH+](CCCCC4(C#N)CCC4)CC3)n[nH]2)cc1 ZINC001171804919 905066698 /nfs/dbraw/zinc/06/66/98/905066698.db2.gz LFYWSEDXQJLOLO-UHFFFAOYSA-N 1 0 388.519 3.935 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)s1 ZINC001171883566 905118444 /nfs/dbraw/zinc/11/84/44/905118444.db2.gz KXQNDDVABCSJJS-CQSZACIVSA-N 1 0 388.002 3.637 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173790713 905126902 /nfs/dbraw/zinc/12/69/02/905126902.db2.gz ZABRXLBUMRPQJG-GOSISDBHSA-N 1 0 387.487 3.705 20 30 GHEDRO [NH2+]=C(N[C@@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccc2cc(O)ccc2c1 ZINC001171878753 905151576 /nfs/dbraw/zinc/15/15/76/905151576.db2.gz USPPVWQVJMCWJY-OAQYLSRUSA-N 1 0 387.483 3.946 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171925056 905179770 /nfs/dbraw/zinc/17/97/70/905179770.db2.gz ZGIIQPHAWZJHBM-MTNXOHHFSA-N 1 0 390.568 3.920 20 30 GHEDRO CCOC(=O)C1(C)CCC(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001171941390 905194454 /nfs/dbraw/zinc/19/44/54/905194454.db2.gz PVKPNCBTDWZQPA-UHFFFAOYSA-N 1 0 383.536 3.646 20 30 GHEDRO CCOC(=O)C1(C#N)CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985894 905245763 /nfs/dbraw/zinc/24/57/63/905245763.db2.gz CROXPIBXNXUAKS-HXUWFJFHSA-N 1 0 383.536 3.598 20 30 GHEDRO C=C(C)C(=O)OCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172047849 905268315 /nfs/dbraw/zinc/26/83/15/905268315.db2.gz CFFMNXCELVWAIX-QGZVFWFLSA-N 1 0 380.529 3.798 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1ccc(Cl)cn1)C2 ZINC001172082340 905296481 /nfs/dbraw/zinc/29/64/81/905296481.db2.gz GLMRNDIRPXVVOP-QKDCVEJESA-N 1 0 378.904 3.761 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001172307778 905465358 /nfs/dbraw/zinc/46/53/58/905465358.db2.gz JKAMPJCETFAXBC-LJQANCHMSA-N 1 0 375.520 3.662 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001172310302 905467740 /nfs/dbraw/zinc/46/77/40/905467740.db2.gz YAJPXWAAYKHOFB-YADARESESA-N 1 0 388.515 3.541 20 30 GHEDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@H](C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC001172298596 905484509 /nfs/dbraw/zinc/48/45/09/905484509.db2.gz YXABDPUUBWWMNQ-NFAVZRQZSA-N 1 0 390.531 3.744 20 30 GHEDRO CCCCCCC[C@H](CC)[NH2+]Cc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001172350220 905519316 /nfs/dbraw/zinc/51/93/16/905519316.db2.gz MHEBFDXJXIAIBJ-SFHVURJKSA-N 1 0 381.586 3.545 20 30 GHEDRO CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001172468849 905551078 /nfs/dbraw/zinc/55/10/78/905551078.db2.gz ODWXKJVWMDBRQL-QPPBQGQZSA-N 1 0 399.579 3.928 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]C1CCN(C(=O)c2ccccc2Br)CC1 ZINC001172489680 905596262 /nfs/dbraw/zinc/59/62/62/905596262.db2.gz YFEQOFFAQHIGMD-CQSZACIVSA-N 1 0 378.314 3.726 20 30 GHEDRO C[C@@H](CCCC#N)N(CC1CC1)c1nc(C2CC[NH2+]CC2)cc2c1ncn2C ZINC001172496058 905598823 /nfs/dbraw/zinc/59/88/23/905598823.db2.gz WYYWNIUTJOBSBR-INIZCTEOSA-N 1 0 380.540 3.734 20 30 GHEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001172500235 905600247 /nfs/dbraw/zinc/60/02/47/905600247.db2.gz YBWNXMMMWMMFMD-NGYIFUPDSA-N 1 0 388.515 3.986 20 30 GHEDRO N#Cc1ccc(C(=[NH2+])N[C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)cc1 ZINC001172514348 905609355 /nfs/dbraw/zinc/60/93/55/905609355.db2.gz HMOOTBLAUYEPPP-FKBYEOEOSA-N 1 0 386.499 3.595 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172686136 905736957 /nfs/dbraw/zinc/73/69/57/905736957.db2.gz BUOWUUBIGKFLQX-FQEVSTJZSA-N 1 0 391.490 3.874 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](N(CC[NH3+])c2cccc3ccccc32)C[C@H]1C#N ZINC001172965946 906026624 /nfs/dbraw/zinc/02/66/24/906026624.db2.gz KXTHJZHTDKRBOU-MOPGFXCFSA-N 1 0 394.519 3.897 20 30 GHEDRO Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172967474 906028107 /nfs/dbraw/zinc/02/81/07/906028107.db2.gz XTAKRHDWBZACGE-QYZOEREBSA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2c(F)cccc2Cl)C[C@H]1C#N ZINC001172968428 906028970 /nfs/dbraw/zinc/02/89/70/906028970.db2.gz RGDKFVIGVORLIO-KBPBESRZSA-N 1 0 381.879 3.903 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1OC ZINC000628272817 906034920 /nfs/dbraw/zinc/03/49/20/906034920.db2.gz ZIAMDCZNZRFVDU-KGLIPLIRSA-N 1 0 393.833 3.906 20 30 GHEDRO COc1ccccc1CC1(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972732 906036237 /nfs/dbraw/zinc/03/62/37/906036237.db2.gz BMLNGCUKUSXVPH-OALUTQOASA-N 1 0 399.535 3.899 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)C[C@H]1C#N ZINC001172975647 906041124 /nfs/dbraw/zinc/04/11/24/906041124.db2.gz JAMSNAZIKOPRSD-STQMWFEESA-N 1 0 385.842 3.999 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H](CCO)c2cccc(Cl)c2)C[C@H]1C#N ZINC001172977115 906041995 /nfs/dbraw/zinc/04/19/95/906041995.db2.gz ZNSIVNQISAZDRU-FGTMMUONSA-N 1 0 393.915 3.645 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCSCc2ccccc2)C[C@H]1C#N ZINC001172977059 906042572 /nfs/dbraw/zinc/04/25/72/906042572.db2.gz YSQYTJBPJNUBRX-ROUUACIJSA-N 1 0 375.538 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2COc3cc(Cl)ccc32)C[C@H]1C#N ZINC001172978861 906045777 /nfs/dbraw/zinc/04/57/77/906045777.db2.gz TVXRMAOAFNLHMS-DZKIICNBSA-N 1 0 377.872 3.655 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(Oc3ccccc3)CC2)C[C@H]1C#N ZINC001172980970 906047494 /nfs/dbraw/zinc/04/74/94/906047494.db2.gz RMJCVWLQYVISRW-MSOLQXFVSA-N 1 0 385.508 3.821 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+]([C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173084336 906185510 /nfs/dbraw/zinc/18/55/10/906185510.db2.gz AFJPSYDFRSHOIV-CQSZACIVSA-N 1 0 384.398 3.685 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCSc4c(F)cccc43)C2=O)cc1 ZINC000190624401 906187054 /nfs/dbraw/zinc/18/70/54/906187054.db2.gz MZCVZNBBJUZEEJ-RBUKOAKNSA-N 1 0 381.476 3.625 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCc3ncsc3C1)CC2 ZINC001173128848 906211386 /nfs/dbraw/zinc/21/13/86/906211386.db2.gz GOHCSCJYKREGKX-INIZCTEOSA-N 1 0 375.538 3.501 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCc4ncsc4C3)C2)CC1 ZINC001173129819 906211447 /nfs/dbraw/zinc/21/14/47/906211447.db2.gz OOLCMAZXTAQPCU-INIZCTEOSA-N 1 0 375.538 3.501 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3c(C#N)cnn3-c3cccc(Cl)c3)c2)CC1 ZINC001212711567 906279362 /nfs/dbraw/zinc/27/93/62/906279362.db2.gz HBZKPJYOFVZTFT-UHFFFAOYSA-N 1 0 392.894 3.893 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000190843479 906347802 /nfs/dbraw/zinc/34/78/02/906347802.db2.gz OIEMCMNDDZHRKT-IBGZPJMESA-N 1 0 398.894 3.624 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H]2CC[C@H]3[C@@H]2OCCN3C(=O)OC(C)(C)C)CC1 ZINC001173311480 906364441 /nfs/dbraw/zinc/36/44/41/906364441.db2.gz JZCBFQDTXPSXQV-AABGDIPYSA-N 1 0 394.556 3.504 20 30 GHEDRO C=CCOC1CCC([NH2+]Cc2noc3c2CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001173312266 906364721 /nfs/dbraw/zinc/36/47/21/906364721.db2.gz XNZZCMMRNHLXBF-UHFFFAOYSA-N 1 0 391.512 3.571 20 30 GHEDRO C=CCOC1CCC([N@H+]2CCO[C@H]3[C@H](OCc4cccc(C)n4)CC[C@@H]32)CC1 ZINC001173322643 906372169 /nfs/dbraw/zinc/37/21/69/906372169.db2.gz FEOCHTGVBMMQCM-JTPDYBDNSA-N 1 0 386.536 3.652 20 30 GHEDRO CSc1nc(Cl)cc(N2CCC[N@@H+](C3CCC(CC#N)CC3)CC2)n1 ZINC001173336580 906379223 /nfs/dbraw/zinc/37/92/23/906379223.db2.gz FIQHKGHCBGNAQI-UHFFFAOYSA-N 1 0 379.961 3.836 20 30 GHEDRO Cc1nc(CN2CCO[C@H]3CC[N@@H+](C4CCC(CC#N)CC4)CC[C@H]32)cs1 ZINC001173335716 906379815 /nfs/dbraw/zinc/37/98/15/906379815.db2.gz WBOUJUKUAWLGFP-HXJFWZBSSA-N 1 0 388.581 3.589 20 30 GHEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173376950 906406537 /nfs/dbraw/zinc/40/65/37/906406537.db2.gz GZVCPTBKVBVCTH-FGTMMUONSA-N 1 0 379.541 3.848 20 30 GHEDRO CC[N@H+](CCC#N)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173377048 906407191 /nfs/dbraw/zinc/40/71/91/906407191.db2.gz HFDQYVLDVCCTQF-IKGGRYGDSA-N 1 0 380.529 3.690 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCSCc3ccccc3)CC2)cc1 ZINC001173426277 906461824 /nfs/dbraw/zinc/46/18/24/906461824.db2.gz SJPXIXQHZWPQCP-UHFFFAOYSA-N 1 0 379.529 3.686 20 30 GHEDRO C[N@H+](Cc1cccc2cccnc21)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431662 906467946 /nfs/dbraw/zinc/46/79/46/906467946.db2.gz KZLXFTYUHFLXHG-UHFFFAOYSA-N 1 0 384.483 3.843 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCc4c(Cl)cccc4C3)CC2)cc1 ZINC001173433259 906468371 /nfs/dbraw/zinc/46/83/71/906468371.db2.gz PODQYKNDNXOQPI-UHFFFAOYSA-N 1 0 379.891 3.875 20 30 GHEDRO C[N@H+](CCc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433589 906468671 /nfs/dbraw/zinc/46/86/71/906468671.db2.gz RTBSKVCTVFTTPS-UHFFFAOYSA-N 1 0 381.907 3.991 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173482809 906482902 /nfs/dbraw/zinc/48/29/02/906482902.db2.gz LAPHGUQFTKBKGE-UHFFFAOYSA-N 1 0 384.426 3.856 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H](C)CCCCC(=O)OC)C2)CC1 ZINC001173444809 906484928 /nfs/dbraw/zinc/48/49/28/906484928.db2.gz CDUYSEUQTUHJJH-SFHVURJKSA-N 1 0 380.529 3.609 20 30 GHEDRO C=C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1)c1ccccc1 ZINC001173541727 906517709 /nfs/dbraw/zinc/51/77/09/906517709.db2.gz IAQDQUJHQYRMLV-HMFYCAOWSA-N 1 0 388.508 3.835 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC001206202190 906522539 /nfs/dbraw/zinc/52/25/39/906522539.db2.gz AHTONPJPWFZVES-CYBMUJFWSA-N 1 0 384.318 3.866 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)CC1 ZINC001173595429 906548703 /nfs/dbraw/zinc/54/87/03/906548703.db2.gz YLCYFJJEBOVLPM-SDXIKQIGSA-N 1 0 383.536 3.942 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)CC1 ZINC001173595501 906549378 /nfs/dbraw/zinc/54/93/78/906549378.db2.gz PNXRQTYWYMUCCK-SCZRWQTQSA-N 1 0 383.536 3.942 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCN(C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)C1 ZINC001173596669 906551506 /nfs/dbraw/zinc/55/15/06/906551506.db2.gz BENDAMXBSWTXQE-LYGNXSNRSA-N 1 0 390.572 3.522 20 30 GHEDRO N#CCCN1CC[NH+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173710529 906661451 /nfs/dbraw/zinc/66/14/51/906661451.db2.gz WAXMKAOMYPYRKJ-HSZRJFAPSA-N 1 0 375.516 3.654 20 30 GHEDRO C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1)C1CCCC1 ZINC000779400722 906739322 /nfs/dbraw/zinc/73/93/22/906739322.db2.gz PUUABQGKKVEJBE-YADHBBJMSA-N 1 0 381.520 3.560 20 30 GHEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180536386 906789785 /nfs/dbraw/zinc/78/97/85/906789785.db2.gz NBKQTOUOAAMGBR-INIZCTEOSA-N 1 0 385.533 3.589 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(OCC#N)cc1 ZINC000180541417 906791580 /nfs/dbraw/zinc/79/15/80/906791580.db2.gz QAFHZQPUMKNHKT-KGLIPLIRSA-N 1 0 376.453 3.543 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(Br)c1 ZINC000181184332 906937166 /nfs/dbraw/zinc/93/71/66/906937166.db2.gz OXXGVQFTFBTOJE-OAHLLOKOSA-N 1 0 386.297 3.627 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OCC#N)cc1 ZINC000181571939 907029039 /nfs/dbraw/zinc/02/90/39/907029039.db2.gz YNMGYSMDCVNQGG-IERDGZPVSA-N 1 0 379.460 3.557 20 30 GHEDRO C[C@H](O)C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181896910 907097475 /nfs/dbraw/zinc/09/74/75/907097475.db2.gz LAWDEMXRJSLWHR-WMZHIEFXSA-N 1 0 377.532 3.667 20 30 GHEDRO CC(C)OC(=O)c1cccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c1 ZINC001174916327 907287777 /nfs/dbraw/zinc/28/77/77/907287777.db2.gz VVRJQLSNQYPKJF-UHFFFAOYSA-N 1 0 378.476 3.619 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000773428140 907291937 /nfs/dbraw/zinc/29/19/37/907291937.db2.gz IZKHERLSTJKUSQ-WIYYLYMNSA-N 1 0 376.460 3.734 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000192083696 907392000 /nfs/dbraw/zinc/39/20/00/907392000.db2.gz CHNMWTZPMYWBHM-HNNXBMFYSA-N 1 0 389.496 3.579 20 30 GHEDRO COc1cc(C(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC001175265917 907476176 /nfs/dbraw/zinc/47/61/76/907476176.db2.gz LCFOFCZQCKAXQI-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)/C=C/c2ccccc2C#N)cc1 ZINC000779541796 907538783 /nfs/dbraw/zinc/53/87/83/907538783.db2.gz HCNAZZYWWBYDCP-FLSMSTFGSA-N 1 0 375.472 3.533 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1OCC#N)c1cccc(C(F)(F)F)c1 ZINC000186128288 907881624 /nfs/dbraw/zinc/88/16/24/907881624.db2.gz MPTKMZCHGZXDFD-QGZVFWFLSA-N 1 0 391.393 3.640 20 30 GHEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000186697345 907969047 /nfs/dbraw/zinc/96/90/47/907969047.db2.gz PDJXIECCTNDZRB-CZUORRHYSA-N 1 0 376.522 3.647 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000186981595 908014826 /nfs/dbraw/zinc/01/48/26/908014826.db2.gz HSXFRPQRSJEWJP-UHFFFAOYSA-O 1 0 387.573 3.722 20 30 GHEDRO N#Cc1cnnc(-c2ccccc2)c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176382580 908060370 /nfs/dbraw/zinc/06/03/70/908060370.db2.gz QULGXPGRUHTSGS-UHFFFAOYSA-N 1 0 385.471 3.634 20 30 GHEDRO C#CC[N@@H+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCCc2ccccc21 ZINC001176453789 908116881 /nfs/dbraw/zinc/11/68/81/908116881.db2.gz XYSARZQFLFZLQU-PZJWPPBQSA-N 1 0 384.520 3.635 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC1 ZINC000299505808 921385996 /nfs/dbraw/zinc/38/59/96/921385996.db2.gz LIKYPEIJDUXBQX-UHFFFAOYSA-N 1 0 379.529 3.595 20 30 GHEDRO C=C(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001176665288 908201111 /nfs/dbraw/zinc/20/11/11/908201111.db2.gz UYQVQEOBSHTXIZ-UHFFFAOYSA-N 1 0 397.560 3.742 20 30 GHEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC001176770885 908259488 /nfs/dbraw/zinc/25/94/88/908259488.db2.gz AXMMPGXQHSAIBT-OAHLLOKOSA-N 1 0 384.261 3.660 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1cnn(CC2CCC2)c1 ZINC001176849471 908292792 /nfs/dbraw/zinc/29/27/92/908292792.db2.gz OEKYZKVXXSNNDU-IOANDJKRSA-N 1 0 385.556 3.653 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000189566695 908349865 /nfs/dbraw/zinc/34/98/65/908349865.db2.gz FBWLZZNYXHKZMD-HNNXBMFYSA-N 1 0 393.915 3.527 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000773626194 908461462 /nfs/dbraw/zinc/46/14/62/908461462.db2.gz WGWLDJAIXFOCEL-UHFFFAOYSA-N 1 0 385.508 3.660 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)C2=O)cc1 ZINC000190602938 908507339 /nfs/dbraw/zinc/50/73/39/908507339.db2.gz KGFBGAPWKWJKRF-NHCUHLMSSA-N 1 0 387.483 3.695 20 30 GHEDRO C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CCN(c2ccccc2)CC1 ZINC001177278116 908512765 /nfs/dbraw/zinc/51/27/65/908512765.db2.gz RGQZMGFGDBZFKD-FQEVSTJZSA-N 1 0 376.548 3.788 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000634580017 908774158 /nfs/dbraw/zinc/77/41/58/908774158.db2.gz WCFMSDKAONQGJM-KGLIPLIRSA-N 1 0 385.489 3.849 20 30 GHEDRO N#Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cs1 ZINC001177919122 908803963 /nfs/dbraw/zinc/80/39/63/908803963.db2.gz JHSXSJZHTQUDDE-NRFANRHFSA-N 1 0 375.497 3.637 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1OC ZINC001178175931 908924675 /nfs/dbraw/zinc/92/46/75/908924675.db2.gz DRUBRIFSKNPRQY-NRFANRHFSA-N 1 0 394.515 3.583 20 30 GHEDRO COC(=O)c1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1C ZINC001178524902 909088158 /nfs/dbraw/zinc/08/81/58/909088158.db2.gz PQQLSMOTXYYFHM-UHFFFAOYSA-N 1 0 379.460 3.528 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)c1 ZINC000266567461 909218397 /nfs/dbraw/zinc/21/83/97/909218397.db2.gz KRVYAVLJEQBVQH-HXUWFJFHSA-N 1 0 383.879 3.596 20 30 GHEDRO C=CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3scnc3Cl)C2)C1=O ZINC001276025737 921480948 /nfs/dbraw/zinc/48/09/48/921480948.db2.gz QKUVCXAOKSETBN-UZLBHIALSA-N 1 0 387.936 3.801 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1OC ZINC001179348152 909476040 /nfs/dbraw/zinc/47/60/40/909476040.db2.gz PPWSRXNFEVYFCW-FJZAXULXSA-N 1 0 384.314 3.924 20 30 GHEDRO C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1Br)NC(=O)OC(C)(C)C ZINC001179375292 909511663 /nfs/dbraw/zinc/51/16/63/909511663.db2.gz AAQAWHBHCNQIRX-LBPRGKRZSA-N 1 0 382.302 3.714 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001179419319 909530737 /nfs/dbraw/zinc/53/07/37/909530737.db2.gz KIAOABMRIXSPBL-LJQANCHMSA-N 1 0 378.426 3.896 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC001179579137 909588663 /nfs/dbraw/zinc/58/86/63/909588663.db2.gz KMZORIAFHQFQRQ-MRXNPFEDSA-N 1 0 390.350 3.760 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(C3(O)CCC3)CC2)cc1OC ZINC001179690245 909648416 /nfs/dbraw/zinc/64/84/16/909648416.db2.gz CYNCYBYPTJHQNQ-UHFFFAOYSA-N 1 0 396.325 3.807 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1 ZINC001179733323 909689151 /nfs/dbraw/zinc/68/91/51/909689151.db2.gz GTAXBBLZZAORKP-AQNXPRMDSA-N 1 0 384.524 3.666 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC[NH2+]C(C)C ZINC000637451731 909821221 /nfs/dbraw/zinc/82/12/21/909821221.db2.gz FUCRTYHRSGVSEL-UHFFFAOYSA-N 1 0 386.309 3.674 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000795335092 909963675 /nfs/dbraw/zinc/96/36/75/909963675.db2.gz UJKJLJSEJCLMNS-NQIIRXRSSA-N 1 0 377.463 3.685 20 30 GHEDRO N#Cc1cccc(NC(=O)N2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)c1 ZINC001202781994 910219850 /nfs/dbraw/zinc/21/98/50/910219850.db2.gz BBWAVWFQIGPBLM-FQEVSTJZSA-N 1 0 397.429 3.723 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cc(F)c(C)cc1F)[n+]1ccc(C)cc1 ZINC000269669888 910330885 /nfs/dbraw/zinc/33/08/85/910330885.db2.gz AYLUWPVRNUAHLZ-UHFFFAOYSA-O 1 0 395.520 3.761 20 30 GHEDRO N#CCc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000270451456 910572107 /nfs/dbraw/zinc/57/21/07/910572107.db2.gz FDULYJUXFITKQT-NRFANRHFSA-N 1 0 385.471 3.648 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cn2)CCO1 ZINC000271057079 910770978 /nfs/dbraw/zinc/77/09/78/910770978.db2.gz DKAKBFVXGZNZDW-HRRASNIPSA-N 1 0 390.531 3.800 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(CCC(N)=O)CC3)c2)c1 ZINC000271178505 910804407 /nfs/dbraw/zinc/80/44/07/910804407.db2.gz GVFRFZYEHDYLDT-UHFFFAOYSA-N 1 0 377.488 3.615 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCCN(C(=O)CC[N@@H+](C)CCCCC)C2)CC1 ZINC001181860299 911045202 /nfs/dbraw/zinc/04/52/02/911045202.db2.gz WRBRCULIQPHQJE-UHFFFAOYSA-N 1 0 393.572 3.526 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1=S ZINC000247230118 911055102 /nfs/dbraw/zinc/05/51/02/911055102.db2.gz YHWCIXNCRIOIRO-IBGZPJMESA-N 1 0 385.581 3.805 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000092481104 911565130 /nfs/dbraw/zinc/56/51/30/911565130.db2.gz BMYPXTUQHHRHHD-KRWDZBQOSA-N 1 0 384.524 3.574 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)C1CCCCC1 ZINC000641993726 911651256 /nfs/dbraw/zinc/65/12/56/911651256.db2.gz HDAJEHKDUUIXTC-UHFFFAOYSA-N 1 0 376.570 3.734 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc(OC)c1O ZINC000284174169 911781056 /nfs/dbraw/zinc/78/10/56/911781056.db2.gz XDAJLVACQSLOBF-OAHLLOKOSA-N 1 0 389.517 3.774 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000366718562 921705663 /nfs/dbraw/zinc/70/56/63/921705663.db2.gz LKWUZADRYMMHOT-OAHLLOKOSA-N 1 0 386.471 3.506 20 30 GHEDRO N#CC1(CCC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CCOCC1 ZINC000284852875 912056477 /nfs/dbraw/zinc/05/64/77/912056477.db2.gz RQTZRYXHBOZZFX-QGZVFWFLSA-N 1 0 378.314 3.985 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001182848055 912060764 /nfs/dbraw/zinc/06/07/64/912060764.db2.gz DNBAKGAIEVWYSQ-PKTZIBPZSA-N 1 0 387.527 3.827 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc(OC)c1O ZINC000093282961 912163096 /nfs/dbraw/zinc/16/30/96/912163096.db2.gz ZWAOSPGOFXXMSB-UHFFFAOYSA-N 1 0 390.524 3.961 20 30 GHEDRO C=CCSCC(=O)N1CCC2(CCC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001273478561 912196561 /nfs/dbraw/zinc/19/65/61/912196561.db2.gz QRPXUXCWCKTKJH-UHFFFAOYSA-N 1 0 379.595 3.575 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)C[NH+]1CCCCC1 ZINC000303588115 914958760 /nfs/dbraw/zinc/95/87/60/914958760.db2.gz RBWNIEXRAYCAII-LJQANCHMSA-N 1 0 391.515 3.989 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000303765082 915113902 /nfs/dbraw/zinc/11/39/02/915113902.db2.gz ARQDGMYXTDXVPT-IBGZPJMESA-N 1 0 393.556 3.914 20 30 GHEDRO [NH2+]=C(NCc1ncc(-c2ccccc2)o1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303863834 915222488 /nfs/dbraw/zinc/22/24/88/915222488.db2.gz AOSDWISRPMAFFJ-UHFFFAOYSA-N 1 0 395.894 3.632 20 30 GHEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccsc1 ZINC000303872114 915229596 /nfs/dbraw/zinc/22/95/96/915229596.db2.gz BTLSMCRWIBFVLG-QGZVFWFLSA-N 1 0 388.537 3.719 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000303891409 915300012 /nfs/dbraw/zinc/30/00/12/915300012.db2.gz QQGAEWCXKMDRGT-UHFFFAOYSA-N 1 0 397.454 3.736 20 30 GHEDRO [NH2+]=C(NCc1ccccc1-n1ccnc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303893628 915301407 /nfs/dbraw/zinc/30/14/07/915301407.db2.gz SAMVQUGZKZRKPH-UHFFFAOYSA-N 1 0 375.354 3.698 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498452 915308674 /nfs/dbraw/zinc/30/86/74/915308674.db2.gz HKQKKDIYSZAEBO-GOEBONIOSA-N 1 0 383.330 3.582 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000303942012 915322772 /nfs/dbraw/zinc/32/27/72/915322772.db2.gz YPWNUHOOSYEUKL-QGZVFWFLSA-N 1 0 396.922 3.747 20 30 GHEDRO N#Cc1c[nH]c(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000291705314 915325566 /nfs/dbraw/zinc/32/55/66/915325566.db2.gz GWYHGYGRZSGHLS-QFIPXVFZSA-N 1 0 399.498 3.588 20 30 GHEDRO Cc1cccc(NC(=[NH2+])NCCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000303984282 915348558 /nfs/dbraw/zinc/34/85/58/915348558.db2.gz RZELBCQWTHBODL-UHFFFAOYSA-N 1 0 389.297 3.821 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000292013893 915474260 /nfs/dbraw/zinc/47/42/60/915474260.db2.gz XWRIQHLIDNTOAO-QFIPXVFZSA-N 1 0 386.536 3.931 20 30 GHEDRO COc1ccc(CCCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000304494536 915525135 /nfs/dbraw/zinc/52/51/35/915525135.db2.gz NDVYXMAZVQEEAA-UHFFFAOYSA-N 1 0 381.398 3.631 20 30 GHEDRO CCOc1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)ccc1OC(F)F ZINC000304499636 915526702 /nfs/dbraw/zinc/52/67/02/915526702.db2.gz RBYIUKAAGUUOGY-HNNXBMFYSA-N 1 0 391.418 3.615 20 30 GHEDRO COc1ccc([C@@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000304508906 915526878 /nfs/dbraw/zinc/52/68/78/915526878.db2.gz SAZHMGNWEWNPJO-NRFANRHFSA-N 1 0 377.444 3.948 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=S)NC1CCC1 ZINC000292321303 915616848 /nfs/dbraw/zinc/61/68/48/915616848.db2.gz MJTIQPOEDYSFSZ-UHFFFAOYSA-O 1 0 398.508 3.834 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])Nc2cccc3c2CCCC3)c(OC)c1OC ZINC000304691918 915632084 /nfs/dbraw/zinc/63/20/84/915632084.db2.gz RTCQUQBUJRBHOR-UHFFFAOYSA-N 1 0 383.492 3.561 20 30 GHEDRO CC(C)C[C@@H](C)Oc1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)ccn1 ZINC000304764156 915700737 /nfs/dbraw/zinc/70/07/37/915700737.db2.gz XSRUHYZOOCVXAY-APWZRJJASA-N 1 0 382.508 3.823 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2nccn2CCc2ccccc2)cc1 ZINC000304803621 915721140 /nfs/dbraw/zinc/72/11/40/915721140.db2.gz AJPIGDFGIAAPEG-UHFFFAOYSA-N 1 0 377.492 3.840 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 ZINC000304987161 915817013 /nfs/dbraw/zinc/81/70/13/915817013.db2.gz BQKKURPVCMSOCT-QGZVFWFLSA-N 1 0 382.508 3.519 20 30 GHEDRO CC[C@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000305008254 915834056 /nfs/dbraw/zinc/83/40/56/915834056.db2.gz JNKKZACVBHQHNZ-INIZCTEOSA-N 1 0 385.508 3.794 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC001275691434 916028307 /nfs/dbraw/zinc/02/83/07/916028307.db2.gz TVIOSJJDCJFUGR-UHFFFAOYSA-N 1 0 377.891 3.987 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@@H]21 ZINC001188676635 916102809 /nfs/dbraw/zinc/10/28/09/916102809.db2.gz UVEILQXDQXWXNW-AKIFATBCSA-N 1 0 388.515 3.520 20 30 GHEDRO CCc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000253605963 916145624 /nfs/dbraw/zinc/14/56/24/916145624.db2.gz GAGGPMZEGIXRMT-UHFFFAOYSA-N 1 0 378.520 3.841 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCc3cccc(Br)c3)CC2)C1=O ZINC001275752059 916879057 /nfs/dbraw/zinc/87/90/57/916879057.db2.gz RAXQRXDNUKCLNE-FQEVSTJZSA-N 1 0 391.353 3.882 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650415192 916961598 /nfs/dbraw/zinc/96/15/98/916961598.db2.gz YASBLZWXDDLPQG-PXNSSMCTSA-N 1 0 389.565 3.977 20 30 GHEDRO C=C[C@H](CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000650538553 917077429 /nfs/dbraw/zinc/07/74/29/917077429.db2.gz MWAWGMOEMXRRGK-JRFVFWCSSA-N 1 0 390.527 3.848 20 30 GHEDRO Cc1nn(C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)c(=O)c(C#N)c1C ZINC000295714554 917440765 /nfs/dbraw/zinc/44/07/65/917440765.db2.gz KKBIMPLMEAYEIG-JOCHJYFZSA-N 1 0 386.499 3.648 20 30 GHEDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c1 ZINC000295721780 917444992 /nfs/dbraw/zinc/44/49/92/917444992.db2.gz VIOTWJVCPFOUBJ-UHFFFAOYSA-N 1 0 380.492 3.698 20 30 GHEDRO C=CCCS(=O)(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001190613203 917447528 /nfs/dbraw/zinc/44/75/28/917447528.db2.gz UZOWVRWCBHFTBL-NRFANRHFSA-N 1 0 378.582 3.557 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000775421759 917646537 /nfs/dbraw/zinc/64/65/37/917646537.db2.gz KIKIJCRCRGJIAX-AOMKIAJQSA-N 1 0 386.455 3.590 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)c1 ZINC000775432057 917739311 /nfs/dbraw/zinc/73/93/11/917739311.db2.gz XPPWRYGGWDPQAH-MRXNPFEDSA-N 1 0 377.271 3.884 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1Cl ZINC001191306019 917908793 /nfs/dbraw/zinc/90/87/93/917908793.db2.gz MAWBVAMJEBZPTG-NRFANRHFSA-N 1 0 397.906 3.912 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)cc1OCCCC#N ZINC000363405433 918217609 /nfs/dbraw/zinc/21/76/09/918217609.db2.gz GAUQEDFLXZEYSL-GOSISDBHSA-N 1 0 382.460 4.000 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000363555619 918410528 /nfs/dbraw/zinc/41/05/28/918410528.db2.gz GNRGMAUCEJLSFS-UHFFFAOYSA-N 1 0 375.432 3.704 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@@H](CC#N)C1)C1CCCCC1 ZINC000296581507 918423002 /nfs/dbraw/zinc/42/30/02/918423002.db2.gz SNIYJZKDOHQXOA-HKUYNNGSSA-N 1 0 396.535 3.588 20 30 GHEDRO N#Cc1ccc(C(=O)N(c2ccncc2F)C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001192099200 918438732 /nfs/dbraw/zinc/43/87/32/918438732.db2.gz SERPRSMRRQWSBN-UHFFFAOYSA-N 1 0 392.356 3.510 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000113174190 919361112 /nfs/dbraw/zinc/36/11/12/919361112.db2.gz HAUWKASMROUYJY-UHFFFAOYSA-N 1 0 385.733 3.802 20 30 GHEDRO N#C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000116754700 919519035 /nfs/dbraw/zinc/51/90/35/919519035.db2.gz XXMDIMNQIIECHF-OAQYLSRUSA-N 1 0 396.922 3.623 20 30 GHEDRO CC(C)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccc(C#N)cc1 ZINC000117336979 919538022 /nfs/dbraw/zinc/53/80/22/919538022.db2.gz SZLGUKAPGKGGNI-UHFFFAOYSA-N 1 0 394.431 3.675 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(F)cc(Cl)c1)CC2 ZINC001275915060 919584405 /nfs/dbraw/zinc/58/44/05/919584405.db2.gz CQIUWOXCOXLLTL-UHFFFAOYSA-N 1 0 377.891 3.987 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000900090619 919831085 /nfs/dbraw/zinc/83/10/85/919831085.db2.gz IKQFHOWSDBICPF-UHFFFAOYSA-N 1 0 387.915 3.771 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c(OC)c1 ZINC000800399961 920031705 /nfs/dbraw/zinc/03/17/05/920031705.db2.gz VNNQXLBMWUUQTP-VQTJNVASSA-N 1 0 387.907 3.574 20 30 GHEDRO N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)s2)cc1 ZINC000900317486 920176048 /nfs/dbraw/zinc/17/60/48/920176048.db2.gz NBISLJIIRMPKQD-HOTGVXAUSA-N 1 0 399.545 3.657 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)c(Br)c1)CC2 ZINC001275964868 920326188 /nfs/dbraw/zinc/32/61/88/920326188.db2.gz VKCJAFHNNWVORA-MRXNPFEDSA-N 1 0 377.326 3.662 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCN(C(=O)Nc3ccccc3)C2)c(O)c1 ZINC000800790084 920464372 /nfs/dbraw/zinc/46/43/72/920464372.db2.gz BPWNTESNGYQQIP-MIDMBNTASA-N 1 0 380.492 3.964 20 30 GHEDRO N#CCOc1cccc(CC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000365595724 920990108 /nfs/dbraw/zinc/99/01/08/920990108.db2.gz OOAMVLSGLHCOAA-JOCHJYFZSA-N 1 0 391.515 3.550 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000367351082 922055001 /nfs/dbraw/zinc/05/50/01/922055001.db2.gz BEOHBSGXCNOQBJ-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367463244 922118977 /nfs/dbraw/zinc/11/89/77/922118977.db2.gz KIONYZVEBGLLFS-LJQANCHMSA-N 1 0 397.441 3.525 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000368060105 922455050 /nfs/dbraw/zinc/45/50/50/922455050.db2.gz UEKUVYFKAWCWLN-RTBURBONSA-N 1 0 379.907 3.914 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H](NCC1(C#N)CC1)c1ccccc1O2 ZINC000903106073 922776823 /nfs/dbraw/zinc/77/68/23/922776823.db2.gz MINTVXOBCXYVBY-HTAPYJJXSA-N 1 0 383.492 3.783 20 30 GHEDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000748304553 923562583 /nfs/dbraw/zinc/56/25/83/923562583.db2.gz QWAQYPDHBWTDMA-NRFANRHFSA-N 1 0 393.535 3.788 20 30 GHEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000369757742 923602392 /nfs/dbraw/zinc/60/23/92/923602392.db2.gz OPMYGQXHNSDIKQ-QGZVFWFLSA-N 1 0 397.544 3.671 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000009983062 923710623 /nfs/dbraw/zinc/71/06/23/923710623.db2.gz SWSAMPBNUYHHRT-UHFFFAOYSA-N 1 0 376.460 3.502 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000749110798 924025291 /nfs/dbraw/zinc/02/52/91/924025291.db2.gz RISDNIJLVVDTJV-UHFFFAOYSA-N 1 0 379.412 3.530 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000371336489 924533866 /nfs/dbraw/zinc/53/38/66/924533866.db2.gz PNHXPUFLNJGDPO-CQSZACIVSA-N 1 0 389.297 3.774 20 30 GHEDRO N#CC1(NC(=O)CCc2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000371546240 924655108 /nfs/dbraw/zinc/65/51/08/924655108.db2.gz ZCMIWTOYUASWRV-UHFFFAOYSA-N 1 0 383.442 3.572 20 30 GHEDRO N#Cc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000409977138 925190771 /nfs/dbraw/zinc/19/07/71/925190771.db2.gz MESWOOMNJCNAAT-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(F)ccc(C)c3Cl)C2)C1=O ZINC001276077054 925239771 /nfs/dbraw/zinc/23/97/71/925239771.db2.gz COWAQXUKFFGMHJ-FQEVSTJZSA-N 1 0 378.875 3.705 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC#Cc2ccccc2)C1 ZINC000410364088 925573970 /nfs/dbraw/zinc/57/39/70/925573970.db2.gz XUYLWTXYWJKKCX-FQEVSTJZSA-N 1 0 375.516 3.769 20 30 GHEDRO CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410573329 925739151 /nfs/dbraw/zinc/73/91/51/925739151.db2.gz KJVUBQYNSZITCU-QFIPXVFZSA-N 1 0 375.516 3.860 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C1CCOCC1 ZINC000827560641 925813799 /nfs/dbraw/zinc/81/37/99/925813799.db2.gz SWIDZDIVSWLHDA-AWEZNQCLSA-N 1 0 392.215 3.866 20 30 GHEDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000411204215 926200901 /nfs/dbraw/zinc/20/09/01/926200901.db2.gz VBEFNKMVLBJKJP-UHFFFAOYSA-N 1 0 396.447 3.714 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CC2CCC(c3ccccc3)CC2)c1C#N ZINC000133572391 926324844 /nfs/dbraw/zinc/32/48/44/926324844.db2.gz QYOIDTFUNLCLRM-UHFFFAOYSA-N 1 0 379.508 3.736 20 30 GHEDRO CCC[N@H+](C[C@@H]1CCCCO1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000411364237 926332275 /nfs/dbraw/zinc/33/22/75/926332275.db2.gz FLHPINRQXVIZQI-OALUTQOASA-N 1 0 387.524 3.611 20 30 GHEDRO CCC[N@H+](C[C@@H]1CCCCO1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411369226 926340161 /nfs/dbraw/zinc/34/01/61/926340161.db2.gz PTKDBQPEGNHSQM-GJZGRUSLSA-N 1 0 375.538 3.717 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CCOCC1 ZINC000411395210 926351827 /nfs/dbraw/zinc/35/18/27/926351827.db2.gz VJEUKZKCINKKPZ-OAHLLOKOSA-N 1 0 389.565 3.963 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000411469336 926430107 /nfs/dbraw/zinc/43/01/07/926430107.db2.gz AJYROHNZZAGOAM-GOSISDBHSA-N 1 0 393.821 3.796 20 30 GHEDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000411637911 926596435 /nfs/dbraw/zinc/59/64/35/926596435.db2.gz GMFYVVZUFGHYCA-FQEVSTJZSA-N 1 0 385.895 3.890 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000411723399 926693935 /nfs/dbraw/zinc/69/39/35/926693935.db2.gz BQSCTWRCYQFUGI-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO C[C@@](CO)([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000411794393 926777523 /nfs/dbraw/zinc/77/75/23/926777523.db2.gz CXBGXYVEHRMFBC-IBGZPJMESA-N 1 0 392.286 3.691 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000749198926 926997414 /nfs/dbraw/zinc/99/74/14/926997414.db2.gz UCVMHIKWZQRPRZ-QGZVFWFLSA-N 1 0 382.533 3.770 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000412039905 927038629 /nfs/dbraw/zinc/03/86/29/927038629.db2.gz IHZIMQLJFVTQJN-BDTNDASRSA-N 1 0 392.499 3.739 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000412082775 927076849 /nfs/dbraw/zinc/07/68/49/927076849.db2.gz XVOPRQSNKRRPCU-LJQANCHMSA-N 1 0 399.535 3.767 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2)CC1 ZINC000749398499 927087590 /nfs/dbraw/zinc/08/75/90/927087590.db2.gz FRXIRXMJUMZXPE-UHFFFAOYSA-N 1 0 376.504 3.517 20 30 GHEDRO CCOC(=O)CCC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000749550401 927184783 /nfs/dbraw/zinc/18/47/83/927184783.db2.gz IYYYEIJZEATQEP-IBGZPJMESA-N 1 0 399.535 3.686 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000412370776 927386422 /nfs/dbraw/zinc/38/64/22/927386422.db2.gz PJNUDNYBBPEKND-NAVOZUGXSA-N 1 0 385.511 3.642 20 30 GHEDRO COC1CC[NH+](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000750991252 927969039 /nfs/dbraw/zinc/96/90/39/927969039.db2.gz SDEACWXDPDDFQJ-QFIPXVFZSA-N 1 0 392.503 3.574 20 30 GHEDRO N#Cc1cc(Br)cn(Cc2ccc(C[NH+]3CCCCC3)cc2)c1=O ZINC000413005058 928094339 /nfs/dbraw/zinc/09/43/39/928094339.db2.gz UUQURTLRZVMCDU-UHFFFAOYSA-N 1 0 386.293 3.517 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNc2cc(C(F)(F)F)cnc2C#N)cc1 ZINC000413116817 928225410 /nfs/dbraw/zinc/22/54/10/928225410.db2.gz HVQYAXCJINNGHB-UHFFFAOYSA-N 1 0 378.398 3.915 20 30 GHEDRO Cc1n[nH]cc1C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000375383314 928240046 /nfs/dbraw/zinc/24/00/46/928240046.db2.gz AJAHNOWHDDTRKC-SFHVURJKSA-N 1 0 379.508 3.541 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2Cl)CC1 ZINC000413245531 928359158 /nfs/dbraw/zinc/35/91/58/928359158.db2.gz SFEXNZNHRGPGJT-UHFFFAOYSA-N 1 0 386.721 3.552 20 30 GHEDRO Cc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C#N)cc1[N+](=O)[O-] ZINC000413287235 928398502 /nfs/dbraw/zinc/39/85/02/928398502.db2.gz FLWMTGUVXBHBRR-UHFFFAOYSA-N 1 0 380.448 3.860 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)CC2)nc1 ZINC000375537336 928412083 /nfs/dbraw/zinc/41/20/83/928412083.db2.gz NJGFMDUZJUKQSZ-QHCPKHFHSA-N 1 0 387.462 3.835 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1C#N ZINC000752308342 928747055 /nfs/dbraw/zinc/74/70/55/928747055.db2.gz RAOGOVKQZXFPEH-UHFFFAOYSA-N 1 0 387.484 3.513 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000752350039 928783393 /nfs/dbraw/zinc/78/33/93/928783393.db2.gz VYLJKWSNQNGDKU-NRFANRHFSA-N 1 0 389.455 3.716 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1C#N ZINC000752756905 929008270 /nfs/dbraw/zinc/00/82/70/929008270.db2.gz XYKJNXAKCCLZON-OAHLLOKOSA-N 1 0 387.484 3.513 20 30 GHEDRO CC1(C)CCc2cc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2O1 ZINC000752928250 929095399 /nfs/dbraw/zinc/09/53/99/929095399.db2.gz DMLCYFAPVJXKKB-OAQYLSRUSA-N 1 0 389.499 3.553 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000544435083 929177127 /nfs/dbraw/zinc/17/71/27/929177127.db2.gz KGIWCVJIFUYHNU-SJLPKXTDSA-N 1 0 396.535 3.733 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)[C@H](C)C2(C)CC2)c1=S ZINC000753110728 929210385 /nfs/dbraw/zinc/21/03/85/929210385.db2.gz NCVHGONTCPOKKP-QGZVFWFLSA-N 1 0 377.602 3.706 20 30 GHEDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(C#N)cc3F)nc12 ZINC000544703261 929467145 /nfs/dbraw/zinc/46/71/45/929467145.db2.gz DVCDEOOMZGCZOD-UHFFFAOYSA-N 1 0 387.256 3.748 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000469234738 929720524 /nfs/dbraw/zinc/72/05/24/929720524.db2.gz QEFYEFJXENAJJO-CTNGQTDRSA-N 1 0 393.487 3.986 20 30 GHEDRO C#CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000757773268 929795320 /nfs/dbraw/zinc/79/53/20/929795320.db2.gz CKLRRWBFHZQUOO-NRFANRHFSA-N 1 0 385.458 3.803 20 30 GHEDRO COc1ccc(CON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1C#N ZINC000758419724 930040010 /nfs/dbraw/zinc/04/00/10/930040010.db2.gz WJSPYOSCIMBSBE-UHFFFAOYSA-N 1 0 378.476 3.600 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000469988451 930297909 /nfs/dbraw/zinc/29/79/09/930297909.db2.gz BKHUZBOCKHFXQB-CJNGLKHVSA-N 1 0 383.330 3.582 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2OC)[NH+]2CCCC2)cc1 ZINC000546709279 930372931 /nfs/dbraw/zinc/37/29/31/930372931.db2.gz QAINPWYJVMTLAI-HXUWFJFHSA-N 1 0 394.475 3.534 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)ccc1Cl ZINC000470362085 930561725 /nfs/dbraw/zinc/56/17/25/930561725.db2.gz CJBHMEPLUZGHAK-OAQYLSRUSA-N 1 0 389.927 3.788 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C2Cc3ccccc3C2)ccc1Cl ZINC000470369893 930567289 /nfs/dbraw/zinc/56/72/89/930567289.db2.gz RHQRUJHUAAFENG-UHFFFAOYSA-N 1 0 381.907 3.994 20 30 GHEDRO C=CCOCC[NH2+][C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000780745618 930590150 /nfs/dbraw/zinc/59/01/50/930590150.db2.gz SDOUQJKEMBRIBE-GCJKJVERSA-N 1 0 388.508 3.682 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1-c1ccccc1 ZINC000780745550 930590247 /nfs/dbraw/zinc/59/02/47/930590247.db2.gz QSINUFRDKGZNPL-HXOBKFHXSA-N 1 0 399.498 3.899 20 30 GHEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000547016845 930616251 /nfs/dbraw/zinc/61/62/51/930616251.db2.gz RPDXVFALXRJWHA-XZOQPEGZSA-N 1 0 379.504 3.703 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(C)C ZINC000470462785 930635306 /nfs/dbraw/zinc/63/53/06/930635306.db2.gz AJNXTYKKLWRJGN-UHFFFAOYSA-N 1 0 386.540 3.620 20 30 GHEDRO CCC(CC)(CNC(=O)[C@H](O)c1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000780938109 930644984 /nfs/dbraw/zinc/64/49/84/930644984.db2.gz KUAOIRPDUOZLJG-DYESRHJHSA-N 1 0 379.504 3.617 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000780982568 930661267 /nfs/dbraw/zinc/66/12/67/930661267.db2.gz XOEIXTZNJGKKLJ-NRFANRHFSA-N 1 0 388.556 3.734 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)OC[C@@H](C#N)Cc3cccs3)cc2)CC1 ZINC000781469207 930858619 /nfs/dbraw/zinc/85/86/19/930858619.db2.gz NHYIRCDEJDSQNS-GOSISDBHSA-N 1 0 397.544 3.818 20 30 GHEDRO C[C@H](CC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000470874882 930989438 /nfs/dbraw/zinc/98/94/38/930989438.db2.gz XQGUQFHTOYGUCU-ACJLOTCBSA-N 1 0 375.394 3.887 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782391475 931204196 /nfs/dbraw/zinc/20/41/96/931204196.db2.gz LEBYNGHCPRRMIF-RXVVDRJESA-N 1 0 389.421 3.909 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cc(Br)ccc2O)c(-c2ccc(C#N)cc2)n1 ZINC000782398192 931205453 /nfs/dbraw/zinc/20/54/53/931205453.db2.gz HPMGGCCFTDTIMH-UHFFFAOYSA-N 1 0 397.276 3.717 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000557520613 931517369 /nfs/dbraw/zinc/51/73/69/931517369.db2.gz CPGGEWWRYHNDLY-RHSMWYFYSA-N 1 0 397.357 3.795 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(OCC#N)cc1 ZINC000783332564 931522013 /nfs/dbraw/zinc/52/20/13/931522013.db2.gz XVVDCFJIYXGLGL-YLZJTPGZSA-N 1 0 376.460 3.896 20 30 GHEDRO C#Cc1cccc(NC(=S)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1 ZINC000783767708 931649388 /nfs/dbraw/zinc/64/93/88/931649388.db2.gz UXNIVOHMDURNFQ-UHFFFAOYSA-N 1 0 379.529 3.606 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000925129095 931667273 /nfs/dbraw/zinc/66/72/73/931667273.db2.gz MVSVBHGUAFKTAN-XDNAFOTISA-N 1 0 391.556 3.709 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000784002215 931751199 /nfs/dbraw/zinc/75/11/99/931751199.db2.gz RWRUBVWIRSHRPM-KRWDZBQOSA-N 1 0 375.509 3.537 20 30 GHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)C1 ZINC000558031788 931808537 /nfs/dbraw/zinc/80/85/37/931808537.db2.gz FIDBERZQOGWCLQ-QHCPKHFHSA-N 1 0 375.472 3.713 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000558133313 931853134 /nfs/dbraw/zinc/85/31/34/931853134.db2.gz LLATWWYUUJNBNO-MAUKXSAKSA-N 1 0 392.421 3.880 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000784329879 931858097 /nfs/dbraw/zinc/85/80/97/931858097.db2.gz ZTQXJWXNRLYSLQ-RVVJGRBNSA-N 1 0 385.511 3.988 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000784488179 931912052 /nfs/dbraw/zinc/91/20/52/931912052.db2.gz VLLSRTJGQVJNSR-GOSISDBHSA-N 1 0 387.405 3.683 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3cc(C#N)cs3)CC2)c1C ZINC000558424075 931996876 /nfs/dbraw/zinc/99/68/76/931996876.db2.gz VAFABPRNVUBVHR-UHFFFAOYSA-N 1 0 384.549 3.737 20 30 GHEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926125183 932056993 /nfs/dbraw/zinc/05/69/93/932056993.db2.gz WQXFEARMLUILMC-GZMMTYOYSA-N 1 0 387.299 3.896 20 30 GHEDRO CC(C)[C@H]([NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)O ZINC000926266421 932106350 /nfs/dbraw/zinc/10/63/50/932106350.db2.gz VGEUSLKAOAOHJD-SJORKVTESA-N 1 0 381.561 3.691 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000558627877 932121010 /nfs/dbraw/zinc/12/10/10/932121010.db2.gz FUFYMBLWSPHMLK-UHFFFAOYSA-N 1 0 386.293 3.780 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000558629263 932122065 /nfs/dbraw/zinc/12/20/65/932122065.db2.gz JMOSGUXPUIFNRQ-UHFFFAOYSA-N 1 0 391.393 3.916 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796958920 932124308 /nfs/dbraw/zinc/12/43/08/932124308.db2.gz IOVMNEPEWKSDQG-VQTJNVASSA-N 1 0 398.551 3.953 20 30 GHEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000558895740 932298431 /nfs/dbraw/zinc/29/84/31/932298431.db2.gz IRTDJWSKGWNTRI-IRLDBZIGSA-N 1 0 398.457 3.589 20 30 GHEDRO Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCN(c3ccccc3C#N)CC2)n(C)n1 ZINC000926787072 932306738 /nfs/dbraw/zinc/30/67/38/932306738.db2.gz SZVJVYNWIKWDOD-GCJKJVERSA-N 1 0 377.536 3.570 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927158758 932436201 /nfs/dbraw/zinc/43/62/01/932436201.db2.gz JCUINKKENGVHIX-ZWKOTPCHSA-N 1 0 391.556 3.997 20 30 GHEDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000799634386 933072368 /nfs/dbraw/zinc/07/23/68/933072368.db2.gz WOLHSVAABYELSR-IBGZPJMESA-N 1 0 387.405 3.890 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)n1 ZINC000560583663 933362026 /nfs/dbraw/zinc/36/20/26/933362026.db2.gz AIHRGTWVKQCMIA-GOSISDBHSA-N 1 0 389.356 3.687 20 30 GHEDRO C[N@H+](CCCCC1(C#N)CCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000929524024 933482556 /nfs/dbraw/zinc/48/25/56/933482556.db2.gz QDRHXPNZUZMAJL-UHFFFAOYSA-N 1 0 379.302 3.579 20 30 GHEDRO Cc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)ccc2c[nH+]cn21 ZINC001116531755 933615009 /nfs/dbraw/zinc/61/50/09/933615009.db2.gz GDCIYZYQYJSLTF-UHFFFAOYSA-N 1 0 376.807 3.606 20 30 GHEDRO C#Cc1cccc(NC(=S)N[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000777926735 934203380 /nfs/dbraw/zinc/20/33/80/934203380.db2.gz GDVKUOSSYKAIHN-FGZHOGPDSA-N 1 0 391.540 3.941 20 30 GHEDRO N#CCOc1cccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001118886498 934275373 /nfs/dbraw/zinc/27/53/73/934275373.db2.gz DJTXVTNRJCEQKS-JOCHJYFZSA-N 1 0 389.499 3.507 20 30 GHEDRO C=CCn1c(Cc2ccc(C#N)cc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001121561597 934698426 /nfs/dbraw/zinc/69/84/26/934698426.db2.gz JCXMDLNESAHPAN-UHFFFAOYSA-N 1 0 392.551 3.546 20 30 GHEDRO C=CCn1c([C@H](C)c2ccsc2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001121638616 934722276 /nfs/dbraw/zinc/72/22/76/934722276.db2.gz CYSZHXWHJDTUFZ-NEPXVJNWSA-N 1 0 385.581 3.844 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)C1 ZINC001122079121 934816373 /nfs/dbraw/zinc/81/63/73/934816373.db2.gz OYYJFXPGKFJFTL-PZJWPPBQSA-N 1 0 394.567 3.902 20 30 GHEDRO N#CC1(CCC[NH2+][C@@H]2CCOc3ccc(Br)cc32)CCOCC1 ZINC000932208922 934850086 /nfs/dbraw/zinc/85/00/86/934850086.db2.gz KMCGUXYATHYPKF-MRXNPFEDSA-N 1 0 379.298 3.963 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nccc(Oc4ccccc4)n3)CC2)cc1 ZINC000562415000 934856381 /nfs/dbraw/zinc/85/63/81/934856381.db2.gz SHBGAAVNAMJGTG-UHFFFAOYSA-N 1 0 385.471 3.853 20 30 GHEDRO CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000932285461 934867733 /nfs/dbraw/zinc/86/77/33/934867733.db2.gz OOIKRYPNFDZKTR-JKSUJKDBSA-N 1 0 396.453 3.743 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)[C@@H](O)c2ccccc2)nnc1N1CCC[N@H+](CC)CC1 ZINC001122594153 934912313 /nfs/dbraw/zinc/91/23/13/934912313.db2.gz DGHSBGZFEIKAIO-RTWAWAEBSA-N 1 0 397.567 3.613 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)C3(C#N)CCSCC3)CCC[N@@H+]2C)cc1 ZINC001122702339 934954930 /nfs/dbraw/zinc/95/49/30/934954930.db2.gz HKOCATXAUDSCHI-MJGOQNOKSA-N 1 0 388.533 3.658 20 30 GHEDRO Cc1cccc2nc(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)cn21 ZINC001123093779 935076915 /nfs/dbraw/zinc/07/69/15/935076915.db2.gz UQLZIUSJHQVASH-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO Cc1ccc(Cl)cc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001123647789 935245109 /nfs/dbraw/zinc/24/51/09/935245109.db2.gz COAOTCDXEHBKRV-UHFFFAOYSA-N 1 0 396.922 3.984 20 30 GHEDRO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000828044501 935569152 /nfs/dbraw/zinc/56/91/52/935569152.db2.gz SALIUXJZELWJAA-UHFFFAOYSA-N 1 0 389.459 3.588 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CC[C@H]3NC(=O)OC(C)(C)C)CC2)c(C#N)c1 ZINC001137706684 935736324 /nfs/dbraw/zinc/73/63/24/935736324.db2.gz MECWIJPGRGMQIJ-LJQANCHMSA-N 1 0 385.508 3.836 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1 ZINC001137899937 935854691 /nfs/dbraw/zinc/85/46/91/935854691.db2.gz KXYBGPIJPCPESD-XLIONFOSSA-N 1 0 389.421 3.929 20 30 GHEDRO Cc1ccc(C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2CC2)cn1 ZINC000829860494 935873640 /nfs/dbraw/zinc/87/36/40/935873640.db2.gz RGCFOWNPCRDLOT-HXUWFJFHSA-N 1 0 397.482 3.839 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(OC)ccc3F)C2)CC1 ZINC001137991845 935912191 /nfs/dbraw/zinc/91/21/91/935912191.db2.gz XTDXODLMIFCZCW-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001626119668 1015010757 /nfs/dbraw/zinc/01/07/57/1015010757.db2.gz QJWCSZJPWODQOZ-FCHUYYIVSA-N 1 0 378.491 3.959 20 30 GHEDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000544876688 1015137947 /nfs/dbraw/zinc/13/79/47/1015137947.db2.gz FOHXTKXRIUHYHT-AWEZNQCLSA-N 1 0 376.382 3.735 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000468370529 1015636965 /nfs/dbraw/zinc/63/69/65/1015636965.db2.gz AKNJBRXNHBFXJY-VQIMIIECSA-N 1 0 397.494 3.904 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000545294218 1015747113 /nfs/dbraw/zinc/74/71/13/1015747113.db2.gz AWJMKBGOTNDCDB-DLBZAZTESA-N 1 0 378.476 3.694 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)c2)CC1 ZINC000545329836 1015780320 /nfs/dbraw/zinc/78/03/20/1015780320.db2.gz XVJJPPUDHQWYTG-KRWDZBQOSA-N 1 0 377.492 3.583 20 30 GHEDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)c2ccccc12 ZINC001220814427 1032135111 /nfs/dbraw/zinc/13/51/11/1032135111.db2.gz AOGCAMFUPCLUCR-HXOBKFHXSA-N 1 0 399.494 3.557 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)s2)cc1 ZINC000468783921 1016027631 /nfs/dbraw/zinc/02/76/31/1016027631.db2.gz BHXGANQMSLDPNA-HIFRSBDPSA-N 1 0 398.532 3.729 20 30 GHEDRO CCN1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1c1ncc[nH]1 ZINC000471084540 1016949725 /nfs/dbraw/zinc/94/97/25/1016949725.db2.gz HGFZUPHENPOTIQ-QHCPKHFHSA-N 1 0 399.542 3.988 20 30 GHEDRO COc1cc(C(F)(F)n2c3ccccc3nc2[C@@H](C)[NH3+])c(C#N)c(Cl)n1 ZINC001155255950 1032473377 /nfs/dbraw/zinc/47/33/77/1032473377.db2.gz YNRWXXFUFCJKDX-SECBINFHSA-N 1 0 377.782 3.582 20 30 GHEDRO C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@H+](C)Cc1ccccc1 ZINC001227764138 1032546328 /nfs/dbraw/zinc/54/63/28/1032546328.db2.gz CUAJHMNJJCVNHC-VGSWGCGISA-N 1 0 376.504 3.755 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(OC(F)(F)F)ccc1Br ZINC001227878749 1032663923 /nfs/dbraw/zinc/66/39/23/1032663923.db2.gz LLIGKKRDPWOTOK-LLVKDONJSA-N 1 0 382.200 3.715 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(F)ccc3F)C[C@@H]2c2ccccc2)C1=O ZINC001204216652 1032665242 /nfs/dbraw/zinc/66/52/42/1032665242.db2.gz MRBAPCGTQLVFDA-OFNKIYASSA-N 1 0 382.454 3.969 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000558450925 1017205953 /nfs/dbraw/zinc/20/59/53/1017205953.db2.gz YIMBYANNVREYRR-ULQDDVLXSA-N 1 0 387.503 3.662 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000559516209 1017461744 /nfs/dbraw/zinc/46/17/44/1017461744.db2.gz RNONCALPHDBUHF-UHFFFAOYSA-N 1 0 393.512 3.952 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000560546712 1017659737 /nfs/dbraw/zinc/65/97/37/1017659737.db2.gz WRZRVQJUAVLNNO-UHFFFAOYSA-N 1 0 389.547 3.699 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)cc1 ZINC001204300031 1032741143 /nfs/dbraw/zinc/74/11/43/1032741143.db2.gz JAQWOMZOXOCFQT-RBZQAINGSA-N 1 0 394.515 3.985 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)cc1 ZINC001204300872 1032743391 /nfs/dbraw/zinc/74/33/91/1032743391.db2.gz WCRWBSZPEBYXLS-RPWUZVMVSA-N 1 0 394.515 3.905 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCc3nc(C(=O)N(CC)CC)sc3CC2)cc1 ZINC001204301318 1032744534 /nfs/dbraw/zinc/74/45/34/1032744534.db2.gz WEWZCPLHQDXSNS-UHFFFAOYSA-N 1 0 399.560 3.791 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3c(F)cccc3-n3cccn3)CC2)cc1 ZINC000562523006 1018264522 /nfs/dbraw/zinc/26/45/22/1018264522.db2.gz NKNHHCRIFFDNSS-UHFFFAOYSA-N 1 0 375.451 3.642 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)C2=O)cc1 ZINC000562620197 1018414322 /nfs/dbraw/zinc/41/43/22/1018414322.db2.gz QLEIWKMMDVXFTQ-NZQKXSOJSA-N 1 0 399.498 3.568 20 30 GHEDRO CCCN(CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000778107276 1018550985 /nfs/dbraw/zinc/55/09/85/1018550985.db2.gz XTELHIUHLIVFQI-UHFFFAOYSA-N 1 0 397.523 3.695 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC1CCC(C#N)CC1)CC2 ZINC000932672195 1018574333 /nfs/dbraw/zinc/57/43/33/1018574333.db2.gz CJHIPNNSFAVGSK-ACBHZAAOSA-N 1 0 391.556 3.712 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000562751098 1018602190 /nfs/dbraw/zinc/60/21/90/1018602190.db2.gz JCAAKPBJWLAANI-HSZRJFAPSA-N 1 0 390.487 3.663 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932938686 1018766703 /nfs/dbraw/zinc/76/67/03/1018766703.db2.gz AYPOBBIBEUYXOO-MMWGEVLESA-N 1 0 379.291 3.516 20 30 GHEDRO CCCCCCCCOC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001228111201 1032788418 /nfs/dbraw/zinc/78/84/18/1032788418.db2.gz PDBGUOMZZBCMLV-LJQANCHMSA-N 1 0 394.532 3.567 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000565292006 1019174832 /nfs/dbraw/zinc/17/48/32/1019174832.db2.gz ZKWQGLSBCFPIHX-YUVVGHDESA-N 1 0 377.463 3.925 20 30 GHEDRO COCCC[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204372015 1032812580 /nfs/dbraw/zinc/81/25/80/1032812580.db2.gz VEVAMDGFWNNKQK-HXUWFJFHSA-N 1 0 387.524 3.796 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001204371811 1032812952 /nfs/dbraw/zinc/81/29/52/1032812952.db2.gz ZDOGPSKSZJTOOW-HSZRJFAPSA-N 1 0 379.479 3.816 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000569382168 1019484893 /nfs/dbraw/zinc/48/48/93/1019484893.db2.gz UDILOPVLMADQEC-LSDHHAIUSA-N 1 0 378.501 3.866 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000569458707 1019491805 /nfs/dbraw/zinc/49/18/05/1019491805.db2.gz GUSBDGUPXDZHQD-GOSISDBHSA-N 1 0 377.326 3.636 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000156695308 1019703994 /nfs/dbraw/zinc/70/39/94/1019703994.db2.gz RKSWYVCTJZYWJO-IBGZPJMESA-N 1 0 383.410 3.597 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccccc1CC ZINC000194838371 1020967179 /nfs/dbraw/zinc/96/71/79/1020967179.db2.gz ZECAXENKSKYMPU-UHFFFAOYSA-O 1 0 383.537 3.958 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(Br)n1)C(C)C ZINC001203017027 1021225594 /nfs/dbraw/zinc/22/55/94/1021225594.db2.gz NYBWFDICDFPECM-CQSZACIVSA-N 1 0 381.318 3.664 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c[nH]c3ccc(OCC)cc13)CC2 ZINC001140266805 1021287602 /nfs/dbraw/zinc/28/76/02/1021287602.db2.gz MQQFVIVEBAVRQK-UHFFFAOYSA-N 1 0 383.492 3.787 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140288093 1021321885 /nfs/dbraw/zinc/32/18/85/1021321885.db2.gz MOPKVCNCTDACNL-HSZRJFAPSA-N 1 0 391.515 3.563 20 30 GHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC000900512063 1021327049 /nfs/dbraw/zinc/32/70/49/1021327049.db2.gz JZNKITUPKSVTSP-UHFFFAOYSA-N 1 0 384.430 3.795 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001140351759 1021472705 /nfs/dbraw/zinc/47/27/05/1021472705.db2.gz DSFCYVQSRGIZLN-GOTSBHOMSA-N 1 0 379.504 3.717 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000802605098 1021511687 /nfs/dbraw/zinc/51/16/87/1021511687.db2.gz ZXYZRSDQSBCQEG-QGZVFWFLSA-N 1 0 386.931 3.634 20 30 GHEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902866807 1021544728 /nfs/dbraw/zinc/54/47/28/1021544728.db2.gz NUYAJHNRNAMNFW-CYBMUJFWSA-N 1 0 387.281 3.704 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001140413650 1021615487 /nfs/dbraw/zinc/61/54/87/1021615487.db2.gz GSFMAPGYRZFFJK-KRWDZBQOSA-N 1 0 386.883 3.674 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@H]21 ZINC001140441244 1021716602 /nfs/dbraw/zinc/71/66/02/1021716602.db2.gz LZMYRBMMDWTEPR-DYESRHJHSA-N 1 0 394.519 3.822 20 30 GHEDRO S=C(NN=C1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]12)Nc1ccccn1 ZINC000834964470 1021735338 /nfs/dbraw/zinc/73/53/38/1021735338.db2.gz CJUROIPJPNUMFK-HKUYNNGSSA-N 1 0 379.533 3.799 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000835067721 1021849694 /nfs/dbraw/zinc/84/96/94/1021849694.db2.gz AVRLRIUONOPWCR-LEWJYISDSA-N 1 0 399.535 3.843 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000835068358 1021853563 /nfs/dbraw/zinc/85/35/63/1021853563.db2.gz GMIYUFHABCQGKC-YQVWRLOYSA-N 1 0 387.524 3.960 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccc(C)cc1 ZINC000677813080 1021882537 /nfs/dbraw/zinc/88/25/37/1021882537.db2.gz BRQKHNDYHYUTMH-UHFFFAOYSA-N 1 0 384.549 3.776 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CCN(Cc4cc(F)cc(Cl)c4)C3)CC2=O)c1 ZINC001140538117 1021934795 /nfs/dbraw/zinc/93/47/95/1021934795.db2.gz GBADLCIBTTVQCU-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@@H](C)C2)cc1 ZINC001204737043 1033055464 /nfs/dbraw/zinc/05/54/64/1033055464.db2.gz SYYXBECZCHBDFN-SFHVURJKSA-N 1 0 389.499 3.739 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2cc(F)c(C#N)c(F)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001140751885 1022433142 /nfs/dbraw/zinc/43/31/42/1022433142.db2.gz JDVLNQJQQMSUMS-UNMCSNQZSA-N 1 0 387.474 3.982 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000754101395 1022483381 /nfs/dbraw/zinc/48/33/81/1022483381.db2.gz FNNXOZPIYBBARM-LAUBAEHRSA-N 1 0 377.488 3.635 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1Cl ZINC001140812206 1022602738 /nfs/dbraw/zinc/60/27/38/1022602738.db2.gz PSXQMIYYMJSPFK-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1Cl ZINC001140813314 1022610030 /nfs/dbraw/zinc/61/00/30/1022610030.db2.gz DAVPXDSUMXMVOA-IBGZPJMESA-N 1 0 379.891 3.707 20 30 GHEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754320449 1022618632 /nfs/dbraw/zinc/61/86/32/1022618632.db2.gz SXKLTPINFAYXOU-IEBWSBKVSA-N 1 0 387.524 3.952 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OC)cc3Cl)C2)C1 ZINC001140820538 1022626910 /nfs/dbraw/zinc/62/69/10/1022626910.db2.gz XPZMWWXPIKHKHD-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(N(CC)CC)cc1O)C2 ZINC001140853460 1022704880 /nfs/dbraw/zinc/70/48/80/1022704880.db2.gz YMQXHYWOMMSHNB-HSZRJFAPSA-N 1 0 385.552 3.772 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000754902078 1022958976 /nfs/dbraw/zinc/95/89/76/1022958976.db2.gz XKRWSAIDLSOMGH-UHFFFAOYSA-N 1 0 389.500 3.733 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000836488978 1023024753 /nfs/dbraw/zinc/02/47/53/1023024753.db2.gz SMBYGLDPIFVLOU-KRWDZBQOSA-N 1 0 384.549 3.776 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3cccc(O)c3n1)[C@H]2CC ZINC001141023143 1023238548 /nfs/dbraw/zinc/23/85/48/1023238548.db2.gz UAKZGZUQEDQBAB-REWPJTCUSA-N 1 0 379.504 3.862 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(C)c(F)cc3Br)C2)C1=O ZINC001277332602 1033117212 /nfs/dbraw/zinc/11/72/12/1033117212.db2.gz YBFOWEVALRIUKO-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(=NNC(=S)Nc1ccc(F)cc1)c1ccccc1O2 ZINC000755506677 1023276062 /nfs/dbraw/zinc/27/60/62/1023276062.db2.gz ZNUNYZJDFPZSQA-UHFFFAOYSA-N 1 0 398.507 3.763 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(=NNCc1cnc3ccccc3c1)c1ccccc1O2 ZINC000755790023 1023380949 /nfs/dbraw/zinc/38/09/49/1023380949.db2.gz PKXIHOBDTQZXBW-UHFFFAOYSA-N 1 0 386.499 3.976 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000756002044 1023473645 /nfs/dbraw/zinc/47/36/45/1023473645.db2.gz ZNLVUFJXADUZIY-LPHOPBHVSA-N 1 0 386.430 3.852 20 30 GHEDRO CCOc1cccc(N2CCN(Cc3sc(N)c(C#N)c3Cl)CC2)c1 ZINC001141112799 1023529073 /nfs/dbraw/zinc/52/90/73/1023529073.db2.gz MXANXDFJPCJQGE-UHFFFAOYSA-N 1 0 376.913 3.576 20 30 GHEDRO COc1cc(N2CCN(Cc3sc(N)c(C#N)c3Cl)CC2)ccc1Cl ZINC001141113424 1023529546 /nfs/dbraw/zinc/52/95/46/1023529546.db2.gz YIYDDFJAMUHLBX-UHFFFAOYSA-N 1 0 397.331 3.840 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000756152134 1023538402 /nfs/dbraw/zinc/53/84/02/1023538402.db2.gz XVVJOPWFGCTXIM-IBGZPJMESA-N 1 0 385.414 3.542 20 30 GHEDRO Cc1ccc2nc(N(Cc3ccccc3)C3(C[NH3+])COC3)c(C#N)c(Cl)c2c1 ZINC001156635311 1033146683 /nfs/dbraw/zinc/14/66/83/1033146683.db2.gz ATZCHCVXYNISPB-UHFFFAOYSA-N 1 0 392.890 3.803 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000757019174 1023909366 /nfs/dbraw/zinc/90/93/66/1023909366.db2.gz HOTLHWUFEZZDGT-FYYLOGMGSA-N 1 0 375.516 3.615 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3ccc(F)cc3C#N)C1)C2 ZINC001141167044 1023997956 /nfs/dbraw/zinc/99/79/56/1023997956.db2.gz VZXZZKOLEKYZGQ-AUSIDOKSSA-N 1 0 378.447 3.792 20 30 GHEDRO CN(C)c1ncc(-c2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001204975518 1033190519 /nfs/dbraw/zinc/19/05/19/1033190519.db2.gz FKOXOKHZMCIABI-UHFFFAOYSA-N 1 0 398.514 3.662 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000830837966 1024178617 /nfs/dbraw/zinc/17/86/17/1024178617.db2.gz DUBAXWPQRNIPQO-HNNXBMFYSA-N 1 0 381.423 3.947 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)C12CCCC2 ZINC000831021653 1024311879 /nfs/dbraw/zinc/31/18/79/1024311879.db2.gz JJYXMRFCWWKTTD-SFHVURJKSA-N 1 0 391.556 3.999 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1 ZINC001141263085 1024328529 /nfs/dbraw/zinc/32/85/29/1024328529.db2.gz JKMACCQOAYDOQU-GOSISDBHSA-N 1 0 388.512 3.664 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H](C#N)CCc2ccccc2)CCC1 ZINC001141269542 1024348642 /nfs/dbraw/zinc/34/86/42/1024348642.db2.gz KKXOAHXSSXUAOP-JOCHJYFZSA-N 1 0 375.516 3.930 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC001138219606 1024392899 /nfs/dbraw/zinc/39/28/99/1024392899.db2.gz JFYYCGQVLGKNIX-UHFFFAOYSA-N 1 0 375.520 3.656 20 30 GHEDRO C#CCN1CCC[C@H]1C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001138259254 1024488176 /nfs/dbraw/zinc/48/81/76/1024488176.db2.gz CXJDFBYSWSLQOS-INIZCTEOSA-N 1 0 384.829 3.604 20 30 GHEDRO COc1cc2cccnc2c(N(c2cc(CC#N)ccn2)[C@@H](C)CCC[NH3+])c1 ZINC001156755070 1033224442 /nfs/dbraw/zinc/22/44/42/1033224442.db2.gz JGRWXZATSLKGQD-INIZCTEOSA-N 1 0 375.476 3.970 20 30 GHEDRO C#CCOc1ccc(CN2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1OC ZINC001138345176 1024707176 /nfs/dbraw/zinc/70/71/76/1024707176.db2.gz KYXFKIFKHKZWBU-DHIUTWEWSA-N 1 0 390.527 3.579 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(c3ccc(C(=O)OC)cc3)CC2)cc1OC ZINC001138347700 1024710546 /nfs/dbraw/zinc/71/05/46/1024710546.db2.gz DKJYQWJBTCDFEE-UHFFFAOYSA-N 1 0 393.483 3.873 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)cc1OC ZINC001138349343 1024711927 /nfs/dbraw/zinc/71/19/27/1024711927.db2.gz VSYFRQYOTMXHCW-SJLPKXTDSA-N 1 0 388.508 3.585 20 30 GHEDRO Cc1ccc2[nH]c(C[N@@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)cc2c1 ZINC001138416015 1024805666 /nfs/dbraw/zinc/80/56/66/1024805666.db2.gz QIGSXHWQWVOSAA-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-n3ccnc3C)cc1)C2 ZINC001138542588 1024984628 /nfs/dbraw/zinc/98/46/28/1024984628.db2.gz GCPFCBPWPCLUOZ-PKTZIBPZSA-N 1 0 381.520 3.754 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)OCC=C)CC3)CC2)cc1 ZINC001138554560 1025011545 /nfs/dbraw/zinc/01/15/45/1025011545.db2.gz AEXXJZKSMYUPTM-UHFFFAOYSA-N 1 0 382.504 3.699 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 ZINC001138594878 1025077496 /nfs/dbraw/zinc/07/74/96/1025077496.db2.gz BCMSKZUMRKVOLZ-PKTZIBPZSA-N 1 0 375.516 3.786 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138620540 1025115636 /nfs/dbraw/zinc/11/56/36/1025115636.db2.gz RMESGRZWAHOMNJ-QHCPKHFHSA-N 1 0 392.503 3.802 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1O ZINC001138626137 1025124340 /nfs/dbraw/zinc/12/43/40/1025124340.db2.gz BGNCKDLRIRDVDJ-QHCPKHFHSA-N 1 0 380.463 3.889 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2Cc3cn(CC4CC4)nc3[C@H](COCC)C2)c1O ZINC001138627073 1025125436 /nfs/dbraw/zinc/12/54/36/1025125436.db2.gz WPJGCXDRXLYHCZ-NRFANRHFSA-N 1 0 381.520 3.863 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1O ZINC001138627304 1025127340 /nfs/dbraw/zinc/12/73/40/1025127340.db2.gz BVXWCZYZTTWBEX-IRLDBZIGSA-N 1 0 382.479 3.597 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(Br)cc3n[nH]cc32)C1 ZINC001229069622 1033261631 /nfs/dbraw/zinc/26/16/31/1033261631.db2.gz LQGKGOGODQFBMG-MRXNPFEDSA-N 1 0 397.276 3.850 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cnc(SCC)nc3)C2)CC1 ZINC001138650560 1025164401 /nfs/dbraw/zinc/16/44/01/1025164401.db2.gz YFJKBTXHMFDXJM-UHFFFAOYSA-N 1 0 390.553 3.589 20 30 GHEDRO C=C(C)COc1ccccc1CN1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001138661035 1025180936 /nfs/dbraw/zinc/18/09/36/1025180936.db2.gz MDHODAURUAKKAP-QPTUXGOLSA-N 1 0 394.515 3.985 20 30 GHEDRO C=C(C)COc1ccccc1CN1Cc2nn(CC3CC3)cc2[C@@H](COC)C1 ZINC001138661818 1025181113 /nfs/dbraw/zinc/18/11/13/1025181113.db2.gz HBSWEERESLPTHO-HXUWFJFHSA-N 1 0 381.520 3.994 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001138664325 1025186868 /nfs/dbraw/zinc/18/68/68/1025186868.db2.gz NJPLXMQWMYWBMI-URXFXBBRSA-N 1 0 391.515 3.565 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC(Oc2ccc(C(N)=O)cc2)CC1 ZINC001138666105 1025188774 /nfs/dbraw/zinc/18/87/74/1025188774.db2.gz ITGOPAHGEZBBLR-UHFFFAOYSA-N 1 0 380.488 3.784 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cnn(Cc3ccccc3)c1)C2 ZINC001138765863 1025331479 /nfs/dbraw/zinc/33/14/79/1025331479.db2.gz JEIAFJYXZMVSRN-GOTSBHOMSA-N 1 0 381.520 3.505 20 30 GHEDRO N#Cc1ccc2ncnc(O[C@H]3CCCN(Cc4cnc(Cl)s4)C3)c2c1 ZINC001229106329 1033282583 /nfs/dbraw/zinc/28/25/83/1033282583.db2.gz FFAZXDSPSUSDJF-ZDUSSCGKSA-N 1 0 385.880 3.655 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000838935211 1025456882 /nfs/dbraw/zinc/45/68/82/1025456882.db2.gz FNLXQQPPGOHZDX-RDJZCZTQSA-N 1 0 388.468 3.640 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)ccc1F ZINC001205172859 1033284238 /nfs/dbraw/zinc/28/42/38/1033284238.db2.gz ZFWZKTMKQFIOKJ-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO N#Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)ncc1Br ZINC001161936317 1025504033 /nfs/dbraw/zinc/50/40/33/1025504033.db2.gz XYCWZXGTUZIRKO-OAHLLOKOSA-N 1 0 375.270 3.948 20 30 GHEDRO N#Cc1nc(N2CCC([NH3+])(Cc3ccccc3F)CC2)c(Cl)cc1Cl ZINC001161990572 1025524390 /nfs/dbraw/zinc/52/43/90/1025524390.db2.gz SJXVYIYBGVWEQS-UHFFFAOYSA-N 1 0 379.266 3.940 20 30 GHEDRO COc1cccc(C2(NC(F)(F)c3cnc(Cl)cc3C#N)CC[NH2+]CC2)c1 ZINC001161996498 1025529149 /nfs/dbraw/zinc/52/91/49/1025529149.db2.gz LLXZHJXBEYKIPH-UHFFFAOYSA-N 1 0 392.837 3.533 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001162020298 1025542470 /nfs/dbraw/zinc/54/24/70/1025542470.db2.gz DHBOHPXJTFCKLN-UHFFFAOYSA-N 1 0 385.855 3.779 20 30 GHEDRO Cc1cc(Br)cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC001162032293 1025551083 /nfs/dbraw/zinc/55/10/83/1025551083.db2.gz MGMPOICOBKJPPD-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccccc4OC(F)F)C3)CC2=O)c1 ZINC001138908583 1025561500 /nfs/dbraw/zinc/56/15/00/1025561500.db2.gz IWHOMDNITDWFRU-JOCHJYFZSA-N 1 0 397.425 3.789 20 30 GHEDRO COc1cccc(CC2([NH3+])CCN(c3ccc(C4(C#N)CCC4)cn3)CC2)c1 ZINC001162047964 1025562373 /nfs/dbraw/zinc/56/23/73/1025562373.db2.gz KLZJVJPDLJRELQ-UHFFFAOYSA-N 1 0 376.504 3.576 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(N)c3C#N)cc2)CC1 ZINC001162098322 1025604508 /nfs/dbraw/zinc/60/45/08/1025604508.db2.gz AFQZYUVXYAXUMN-UHFFFAOYSA-N 1 0 379.464 3.893 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@H]1CC ZINC001139028393 1025794283 /nfs/dbraw/zinc/79/42/83/1025794283.db2.gz SFQROGQUKRMOIH-GGAORHGYSA-N 1 0 386.536 3.633 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)cnc2Cl)c1 ZINC001162800961 1025921721 /nfs/dbraw/zinc/92/17/21/1025921721.db2.gz FWOQJCGPIDRDFF-FHLIZLRMSA-N 1 0 386.833 3.687 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)cc2c1Cl ZINC001162803778 1025922885 /nfs/dbraw/zinc/92/28/85/1025922885.db2.gz VRYLZNMDKCDPID-DYQSUWPFSA-N 1 0 395.240 3.826 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc4cc(F)ccc4n3)C2)C1 ZINC001141640219 1025996248 /nfs/dbraw/zinc/99/62/48/1025996248.db2.gz RCLZCWMIQTZUHT-JOCHJYFZSA-N 1 0 383.467 3.984 20 30 GHEDRO COC(OC)c1c(C#N)ccnc1N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001163023556 1026010619 /nfs/dbraw/zinc/01/06/19/1026010619.db2.gz JEKDQCUDQGBIPO-IBGZPJMESA-N 1 0 392.503 3.731 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001163058747 1026030401 /nfs/dbraw/zinc/03/04/01/1026030401.db2.gz QYAOXVRRIUIFMN-LLVKDONJSA-N 1 0 388.805 3.816 20 30 GHEDRO c1ccc(C(=Nc2ccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cn2)c2ccccc2)cc1 ZINC001163108135 1026044830 /nfs/dbraw/zinc/04/48/30/1026044830.db2.gz LEOHOOFTFYQJQE-YMPZKCBVSA-N 1 0 398.510 3.897 20 30 GHEDRO N#C[C@H](c1ccc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)nn1)c1ccccc1F ZINC001163218757 1026091271 /nfs/dbraw/zinc/09/12/71/1026091271.db2.gz RAWLKQGDUHBWSZ-SFHVURJKSA-N 1 0 384.418 3.583 20 30 GHEDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cccc(N=C(c3ccccc3)c3ccccc3)c2)N1 ZINC001163255396 1026106751 /nfs/dbraw/zinc/10/67/51/1026106751.db2.gz VHSYBHPDGPLJNX-WIOPSUGQSA-N 1 0 396.494 3.846 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c1 ZINC001141660673 1026153340 /nfs/dbraw/zinc/15/33/40/1026153340.db2.gz HTLBLRZPUHKAHL-UHFFFAOYSA-N 1 0 382.305 3.639 20 30 GHEDRO COc1ccc(-c2ccc(NC(C)=NCc3cccc(C[NH3+])c3)nn2)c(OC)c1 ZINC001163472675 1026207072 /nfs/dbraw/zinc/20/70/72/1026207072.db2.gz BFCSBCZGKBCQLO-UHFFFAOYSA-N 1 0 391.475 3.650 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)nc3)C2)c1 ZINC001139345461 1026211473 /nfs/dbraw/zinc/21/14/73/1026211473.db2.gz MCCIWLVDTDNQNL-QFIPXVFZSA-N 1 0 376.504 3.987 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(OC)c1OC ZINC001139360948 1026235204 /nfs/dbraw/zinc/23/52/04/1026235204.db2.gz CBYXFIDZDTVVBK-HXUWFJFHSA-N 1 0 386.536 3.959 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)cn2)C[C@@H](C)O1 ZINC001139384067 1026251397 /nfs/dbraw/zinc/25/13/97/1026251397.db2.gz ZGNIPRNZDNWHGA-WOJBJXKFSA-N 1 0 390.531 3.753 20 30 GHEDRO COc1ccccc1N1CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139400243 1026270810 /nfs/dbraw/zinc/27/08/10/1026270810.db2.gz LCYSDVGSLRVJKF-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO CCn1cc2c(n1)CN(Cc1ccc(-c3cc(C#N)ccn3)cc1)C[C@@H]2COC ZINC001139402368 1026273378 /nfs/dbraw/zinc/27/33/78/1026273378.db2.gz PAQSIOAPEHOTMK-HXUWFJFHSA-N 1 0 387.487 3.582 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(-c3cc(C#N)ccn3)cc1)CC2 ZINC001139403988 1026275406 /nfs/dbraw/zinc/27/54/06/1026275406.db2.gz OFRMJBAZQLEIOK-UHFFFAOYSA-N 1 0 386.499 3.763 20 30 GHEDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139404273 1026276384 /nfs/dbraw/zinc/27/63/84/1026276384.db2.gz YJHPRLOUENEXPN-GOTSBHOMSA-N 1 0 377.488 3.638 20 30 GHEDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405969 1026278588 /nfs/dbraw/zinc/27/85/88/1026278588.db2.gz HOOWQKCFVBXNSC-FQEVSTJZSA-N 1 0 386.455 3.677 20 30 GHEDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406566 1026278864 /nfs/dbraw/zinc/27/88/64/1026278864.db2.gz UTCXQPBSGHCJAP-UHFFFAOYSA-N 1 0 376.504 3.842 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)cc1F ZINC001139528807 1026387086 /nfs/dbraw/zinc/38/70/86/1026387086.db2.gz YTFJIFQYORJZSZ-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001461105718 1069392469 /nfs/dbraw/zinc/39/24/69/1069392469.db2.gz OGNJCXAGZLRIQD-ILBGXUMGSA-N 1 0 387.527 3.986 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3cccnc3)cc1)CC2 ZINC001139639800 1026502080 /nfs/dbraw/zinc/50/20/80/1026502080.db2.gz KFLUEEJCZMWYFL-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO CSc1nc(Cl)cc(N2CCCN(Cc3cc(C#N)ccc3F)CC2)n1 ZINC001139649738 1026510476 /nfs/dbraw/zinc/51/04/76/1026510476.db2.gz CSYHGRWATJVNMF-UHFFFAOYSA-N 1 0 391.903 3.575 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)c1 ZINC001139649224 1026510624 /nfs/dbraw/zinc/51/06/24/1026510624.db2.gz STLUQUACZKHGSC-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC001139649196 1026510718 /nfs/dbraw/zinc/51/07/18/1026510718.db2.gz RGGWRWPEJYHMPI-GOTSBHOMSA-N 1 0 395.478 3.680 20 30 GHEDRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139649273 1026511081 /nfs/dbraw/zinc/51/10/81/1026511081.db2.gz WQCASHGFQNYWPS-FQEVSTJZSA-N 1 0 377.463 3.678 20 30 GHEDRO N#CCc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001164499069 1026535389 /nfs/dbraw/zinc/53/53/89/1026535389.db2.gz KYRNWSPDWJPGCP-VAMGGRTRSA-N 1 0 376.460 3.983 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCN(c4ccc(Br)cn4)CC3)c[nH]c21 ZINC001139701097 1026545778 /nfs/dbraw/zinc/54/57/78/1026545778.db2.gz ADWUPTWAMYSIHF-UHFFFAOYSA-N 1 0 396.292 3.519 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001139708265 1026552324 /nfs/dbraw/zinc/55/23/24/1026552324.db2.gz DPUYHNHYADMHQX-HXUWFJFHSA-N 1 0 397.563 3.585 20 30 GHEDRO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)c21 ZINC001139720606 1026562661 /nfs/dbraw/zinc/56/26/61/1026562661.db2.gz JGPWMOZOZLNLGF-IBGZPJMESA-N 1 0 389.455 3.870 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1C#N ZINC001139724214 1026567121 /nfs/dbraw/zinc/56/71/21/1026567121.db2.gz NQHPMJUZGQUXEJ-ZEQRLZLVSA-N 1 0 391.515 3.850 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C)c(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001139724966 1026568508 /nfs/dbraw/zinc/56/85/08/1026568508.db2.gz XYZPGTPIIFCIPZ-NOZRDPDXSA-N 1 0 385.511 3.871 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(C)c(C#N)c3)C2)cc1 ZINC001139727235 1026570428 /nfs/dbraw/zinc/57/04/28/1026570428.db2.gz KAYJQVPNQHVALS-QFIPXVFZSA-N 1 0 377.488 3.660 20 30 GHEDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2nc3ccccc3c(Cl)c2C#N)CC1 ZINC001165110389 1026611772 /nfs/dbraw/zinc/61/17/72/1026611772.db2.gz CORXASZFTHFJHI-INIZCTEOSA-N 1 0 384.911 3.839 20 30 GHEDRO Cc1ncc(C#N)c(N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001165139340 1026630919 /nfs/dbraw/zinc/63/09/19/1026630919.db2.gz IDWNBUNHNKAZLL-HSZRJFAPSA-N 1 0 383.499 3.938 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c1 ZINC001139877065 1026693215 /nfs/dbraw/zinc/69/32/15/1026693215.db2.gz WFSMSMIIMPHCRT-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001139877468 1026693551 /nfs/dbraw/zinc/69/35/51/1026693551.db2.gz KUWSMAPDTFWCCP-GHTZIAJQSA-N 1 0 391.462 3.868 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC001140075147 1026855181 /nfs/dbraw/zinc/85/51/81/1026855181.db2.gz HPVWGBZAQCYXTO-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(O)cc4Cl)C3)CC2=O)c1 ZINC001140086246 1026864071 /nfs/dbraw/zinc/86/40/71/1026864071.db2.gz PLKHXNDPKASRQW-NRFANRHFSA-N 1 0 381.863 3.546 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c(F)c1 ZINC001140137402 1026911531 /nfs/dbraw/zinc/91/15/31/1026911531.db2.gz HGBAMTUPAVVIAK-QHCPKHFHSA-N 1 0 375.447 3.598 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC(c3noc4ccc(F)cc43)CC1)C[NH2+]CCC2 ZINC001166839231 1027103276 /nfs/dbraw/zinc/10/32/76/1027103276.db2.gz HNTHBPQRJYYIKN-UHFFFAOYSA-N 1 0 391.450 3.653 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1[nH]nc3ccc(Cl)cc31)C2 ZINC001209753142 1027145835 /nfs/dbraw/zinc/14/58/35/1027145835.db2.gz LSFSAQMRTOFLFB-UXHICEINSA-N 1 0 375.900 3.790 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC001461214086 1069446117 /nfs/dbraw/zinc/44/61/17/1069446117.db2.gz CAZMTPFEGDNNAQ-QGZVFWFLSA-N 1 0 399.336 3.755 20 30 GHEDRO COc1ccc(OC)c(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c1 ZINC001203528627 1027409357 /nfs/dbraw/zinc/40/93/57/1027409357.db2.gz HIEOBBNWPJPGHH-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001210463129 1027520540 /nfs/dbraw/zinc/52/05/40/1027520540.db2.gz WTYPWFIMHIIGBT-UHFFFAOYSA-N 1 0 376.566 3.881 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)C(=O)Nc2cc(Br)ccc23)c1 ZINC001203756591 1027579615 /nfs/dbraw/zinc/57/96/15/1027579615.db2.gz AAPNFKWXLMIUTP-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCc2ncnc(C3CC3)c2CC1 ZINC001141900780 1027621532 /nfs/dbraw/zinc/62/15/32/1027621532.db2.gz GDTGSIVMJAXDOW-UHFFFAOYSA-N 1 0 383.293 3.589 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC001203902023 1027694710 /nfs/dbraw/zinc/69/47/10/1027694710.db2.gz VIZFJHHSTUBSQG-DEOSSOPVSA-N 1 0 382.467 3.689 20 30 GHEDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccc(C#N)cc4)C3)C2)cc1 ZINC001203901417 1027694866 /nfs/dbraw/zinc/69/48/66/1027694866.db2.gz CESOGHUVQWIDQL-XMMPIXPASA-N 1 0 391.515 3.686 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1 ZINC001203903556 1027696134 /nfs/dbraw/zinc/69/61/34/1027696134.db2.gz IHHTZXSRKVJZJG-PKTZIBPZSA-N 1 0 377.488 3.541 20 30 GHEDRO COc1ccc(O)c(/C=N\C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000840705979 1027746401 /nfs/dbraw/zinc/74/64/01/1027746401.db2.gz JLLGJIPJNBRFGV-LPGPRXSPSA-N 1 0 394.515 3.749 20 30 GHEDRO O=C([C@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1)N1CCCC1 ZINC001141975975 1027788671 /nfs/dbraw/zinc/78/86/71/1027788671.db2.gz QGXPPZSTWQUEER-FQEVSTJZSA-N 1 0 378.541 3.982 20 30 GHEDRO C=CC(C)(C)NC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001211136502 1027804785 /nfs/dbraw/zinc/80/47/85/1027804785.db2.gz SYMICLNCSNNHRU-UHFFFAOYSA-N 1 0 392.547 3.773 20 30 GHEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccccc2CN2CCSC2=O)no1 ZINC001211436764 1027957383 /nfs/dbraw/zinc/95/73/83/1027957383.db2.gz WJPSBRZSYZAVSE-UHFFFAOYSA-N 1 0 384.505 3.905 20 30 GHEDRO COCCOc1cc(C#N)c(Nc2ccc3[nH]c(C)[nH+]c3c2)cc1OCCOC ZINC001213076236 1027987883 /nfs/dbraw/zinc/98/78/83/1027987883.db2.gz MSQFLVIVPKMOHJ-UHFFFAOYSA-N 1 0 396.447 3.537 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000840972297 1028009155 /nfs/dbraw/zinc/00/91/55/1028009155.db2.gz JWUJZTSANJDMOB-HSZRJFAPSA-N 1 0 393.531 3.656 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C2 ZINC001142167639 1028283423 /nfs/dbraw/zinc/28/34/23/1028283423.db2.gz JLHFHXOXCKTJET-UNMCSNQZSA-N 1 0 375.557 3.829 20 30 GHEDRO C=CCCC[C@H](C)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461394913 1069531495 /nfs/dbraw/zinc/53/14/95/1069531495.db2.gz YHHKZSNAXRPHCZ-IRXDYDNUSA-N 1 0 377.533 3.685 20 30 GHEDRO C=CCCC[C@H](C)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461394911 1069531585 /nfs/dbraw/zinc/53/15/85/1069531585.db2.gz YHHKZSNAXRPHCZ-DLBZAZTESA-N 1 0 377.533 3.685 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)ccc1OC ZINC000841396378 1028565900 /nfs/dbraw/zinc/56/59/00/1028565900.db2.gz PUEUJEMRXIMFBH-UXHICEINSA-N 1 0 395.503 3.685 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC001142347503 1028729246 /nfs/dbraw/zinc/72/92/46/1028729246.db2.gz NNKAEJVJDYAFGD-UHFFFAOYSA-N 1 0 397.482 3.866 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001461429705 1069546513 /nfs/dbraw/zinc/54/65/13/1069546513.db2.gz ITCUDUBWNJUQGZ-HSZRJFAPSA-N 1 0 399.498 3.646 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@H](C)[C@H](C)[C@@H]2C)c1=S ZINC000841693195 1028845095 /nfs/dbraw/zinc/84/50/95/1028845095.db2.gz TXUIBFCQEISHJY-BZSNNMDCSA-N 1 0 377.602 3.562 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001214885617 1028951944 /nfs/dbraw/zinc/95/19/44/1028951944.db2.gz GXUMHLUBEHWJBF-UHFFFAOYSA-N 1 0 387.443 3.839 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000841818476 1028965355 /nfs/dbraw/zinc/96/53/55/1028965355.db2.gz SLPMKTXUDNLRAU-IRLDBZIGSA-N 1 0 394.519 3.990 20 30 GHEDRO C[NH2+]CCC1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000841830075 1028970631 /nfs/dbraw/zinc/97/06/31/1028970631.db2.gz DJZWUXMJYBIFIM-UHFFFAOYSA-N 1 0 382.533 3.818 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[NH2+]C(C)(C)C2)cc1 ZINC001215056271 1029015940 /nfs/dbraw/zinc/01/59/40/1029015940.db2.gz QZQZKPOBCPFFHZ-UHFFFAOYSA-N 1 0 394.475 3.965 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ncc(C(F)(F)F)cc3Cl)C2)C1=O ZINC001142543625 1029039910 /nfs/dbraw/zinc/03/99/10/1029039910.db2.gz WZPADDOGQCWWOR-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000842164843 1029119981 /nfs/dbraw/zinc/11/99/81/1029119981.db2.gz DSIDTINXGVADHJ-LZLYRXPVSA-N 1 0 380.492 3.658 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCC[NH+]3CCCCCC3)c2)nc1 ZINC001215438528 1029208527 /nfs/dbraw/zinc/20/85/27/1029208527.db2.gz ORPIVROLEHRMJN-UHFFFAOYSA-N 1 0 379.464 3.743 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCOc3ccc(C#N)cc3)C[C@H]2C1 ZINC000842683886 1029491807 /nfs/dbraw/zinc/49/18/07/1029491807.db2.gz FCEODCSSZDRTCR-FHWLQOOXSA-N 1 0 385.508 3.562 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3ccc(N4CC[NH2+]CC4)cc3)n2)c(F)c1 ZINC001216437401 1029638367 /nfs/dbraw/zinc/63/83/67/1029638367.db2.gz YMZURJYEWJACPV-UHFFFAOYSA-N 1 0 380.423 3.517 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC(c4nc(-c5cccnc5)no4)CC3)c[nH]c2c1 ZINC001142928874 1029709684 /nfs/dbraw/zinc/70/96/84/1029709684.db2.gz NKESGLIFQWUJKJ-UHFFFAOYSA-N 1 0 384.443 3.864 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3ccc(OCC)c(F)c3F)C2)C1 ZINC001143269106 1029965789 /nfs/dbraw/zinc/96/57/89/1029965789.db2.gz JMSQDDWQJJLSMJ-OAQYLSRUSA-N 1 0 394.462 3.974 20 30 GHEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000843475195 1030032198 /nfs/dbraw/zinc/03/21/98/1030032198.db2.gz DIXGEHQJCLURFL-PQXPCTDFSA-N 1 0 398.322 3.896 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(-c3ccc4c(c3)C3(CC4=O)CC[NH2+]CC3)n2)c1 ZINC001217209790 1030236769 /nfs/dbraw/zinc/23/67/69/1030236769.db2.gz QUVDQUDSHOTUIQ-UHFFFAOYSA-N 1 0 388.402 3.622 20 30 GHEDRO Cc1nsc(NC(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1C#N ZINC001217512559 1030454379 /nfs/dbraw/zinc/45/43/79/1030454379.db2.gz RZIXLGJJHQHJOQ-KRWDZBQOSA-N 1 0 383.521 3.842 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217979552 1030702931 /nfs/dbraw/zinc/70/29/31/1030702931.db2.gz GNVUJGWBNIAYCU-WZLNMBEASA-N 1 0 397.494 3.789 20 30 GHEDRO COc1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001217986825 1030707374 /nfs/dbraw/zinc/70/73/74/1030707374.db2.gz VLXIIMIQOFXSJH-GJQNGUEISA-N 1 0 385.435 3.766 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[NH2+]CC[C@H]2C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218033579 1030733548 /nfs/dbraw/zinc/73/35/48/1030733548.db2.gz DWOUNSVIQCVORE-KRSZBIKMSA-N 1 0 397.471 3.769 20 30 GHEDRO C=CCc1c(O[C@@H]2CC[NH2+][C@H](C)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218054254 1030745134 /nfs/dbraw/zinc/74/51/34/1030745134.db2.gz YHPSUAXNAPIRHY-SJLPKXTDSA-N 1 0 375.472 3.634 20 30 GHEDRO N#Cc1cc(Br)c(OC2CC3(C2)CC[NH2+]C3)c(Br)c1 ZINC001218060905 1030748548 /nfs/dbraw/zinc/74/85/48/1030748548.db2.gz PCKRPXVBDIRZFV-UHFFFAOYSA-N 1 0 386.087 3.604 20 30 GHEDRO C[C@@H]1C[C@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)CC[NH2+]1 ZINC001218062150 1030750088 /nfs/dbraw/zinc/75/00/88/1030750088.db2.gz RMRWGYLJIIHGHI-FCZLPKDUSA-N 1 0 379.504 3.840 20 30 GHEDRO COc1cc(O[C@@H]2CSC3(C[NH2+]C3)C2)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218100896 1030772584 /nfs/dbraw/zinc/77/25/84/1030772584.db2.gz YXMDUNCHEOEZEH-SQUITACLSA-N 1 0 397.496 3.523 20 30 GHEDRO O/N=C(\O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC001223885567 1030789049 /nfs/dbraw/zinc/78/90/49/1030789049.db2.gz SZWQFUWYPWTABY-MEUCICPISA-N 1 0 375.266 3.876 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(C(C)=O)ccc(OCc2ccccc2)c1[N+](=O)[O-] ZINC001218210506 1030833530 /nfs/dbraw/zinc/83/35/30/1030833530.db2.gz DUDIRFJDWVSSSI-IBGZPJMESA-N 1 0 382.416 3.673 20 30 GHEDRO COc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218248426 1030852529 /nfs/dbraw/zinc/85/25/29/1030852529.db2.gz FOYOUPXXHVCJRZ-JZGSVCTRSA-N 1 0 379.456 3.816 20 30 GHEDRO COc1cc(C#N)ccc1COC[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001224192300 1030920915 /nfs/dbraw/zinc/92/09/15/1030920915.db2.gz MUZWCUBLGZBCKB-OAQYLSRUSA-N 1 0 380.488 3.763 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc(/C=C\C(=O)CCCCc2ccc(O)cc2)cc1 ZINC001218409921 1030927050 /nfs/dbraw/zinc/92/70/50/1030927050.db2.gz JSSFAPJHBWGHLW-ZTRAXAFBSA-N 1 0 390.483 3.878 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC001218413782 1030929605 /nfs/dbraw/zinc/92/96/05/1030929605.db2.gz IZLWDYKVZOFEFI-ZXTHHAKASA-N 1 0 397.471 3.682 20 30 GHEDRO C=C(C)C[C@H](Oc1c(C(=O)OCC)cnc2cc(C3CC[NH2+]CC3)nn21)C(=C)C ZINC001218436910 1030935756 /nfs/dbraw/zinc/93/57/56/1030935756.db2.gz STAUYEIFWWZVMI-IBGZPJMESA-N 1 0 398.507 3.663 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(-c2ccc(OC(F)F)c(OC)c2)nn1 ZINC001218454825 1030943312 /nfs/dbraw/zinc/94/33/12/1030943312.db2.gz CONUJKYVTASNAM-HZPDHXFCSA-N 1 0 391.418 3.829 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c(O)c1 ZINC001218458879 1030945733 /nfs/dbraw/zinc/94/57/33/1030945733.db2.gz AEVQXHPGCJBSAU-OXFYSEKESA-N 1 0 391.508 3.992 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C1(Cc3ccccc3F)CC[NH2+]CC1)CCC2 ZINC001218549547 1030984086 /nfs/dbraw/zinc/98/40/86/1030984086.db2.gz YTCYYHGAGCAXJF-UHFFFAOYSA-N 1 0 383.492 3.799 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cc(-c2ccsc2)sc1C(N)=O ZINC001218642200 1031016846 /nfs/dbraw/zinc/01/68/46/1031016846.db2.gz CGXQYEAZLXMHAF-ZDUSSCGKSA-N 1 0 377.535 3.978 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc2cc(Cl)ccc2c1 ZINC001218649012 1031019530 /nfs/dbraw/zinc/01/95/30/1031019530.db2.gz PBKSAIRWBMONFC-MOPGFXCFSA-N 1 0 376.847 3.702 20 30 GHEDRO CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2C#N)cc1 ZINC001218895969 1031135839 /nfs/dbraw/zinc/13/58/39/1031135839.db2.gz WYNPKFUQNAHNTI-QFIPXVFZSA-N 1 0 390.531 3.788 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224822794 1031136827 /nfs/dbraw/zinc/13/68/27/1031136827.db2.gz DFXJUYKQCRDTDF-ACRUOGEOSA-N 1 0 399.535 3.674 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)[C@H]3CC4(CC[NH2+]CC4)c4ccccc43)cc2s1 ZINC001218910305 1031147746 /nfs/dbraw/zinc/14/77/46/1031147746.db2.gz IXWLZOFEVKRYQS-INIZCTEOSA-N 1 0 388.496 3.915 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001218951360 1031171664 /nfs/dbraw/zinc/17/16/64/1031171664.db2.gz HJQCVHDAYGLMQF-MRXNPFEDSA-N 1 0 384.361 3.634 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc2nc(C(F)(F)F)ccc2c1 ZINC001218966156 1031184534 /nfs/dbraw/zinc/18/45/34/1031184534.db2.gz QMDJUZBKTVNMBA-INIZCTEOSA-N 1 0 384.361 3.634 20 30 GHEDRO C#CCN(C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)C1CSC1 ZINC001219239352 1031319734 /nfs/dbraw/zinc/31/97/34/1031319734.db2.gz OXAMQZFCRDDBBV-UHFFFAOYSA-N 1 0 389.590 3.847 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(Cl)c(C)c1)C2 ZINC001277031453 1031336359 /nfs/dbraw/zinc/33/63/59/1031336359.db2.gz DMJFKZZCKFBNIA-NRFANRHFSA-N 1 0 376.928 3.584 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2OCC2CC2)C1 ZINC001219384230 1031389639 /nfs/dbraw/zinc/38/96/39/1031389639.db2.gz LLPMCSQSZKDTBH-UTKZUKDTSA-N 1 0 375.472 3.506 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)c1nc2c(s1)C[NH2+]CC2 ZINC001219483274 1031450595 /nfs/dbraw/zinc/45/05/95/1031450595.db2.gz SDYAIBBEKVOGNU-UHFFFAOYSA-N 1 0 389.984 3.923 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cn3)cc2)C1 ZINC001219652616 1031541902 /nfs/dbraw/zinc/54/19/02/1031541902.db2.gz HOZOUBSLENMIQT-CALCHBBNSA-N 1 0 377.492 3.753 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(OC)c1O ZINC001277066809 1031561301 /nfs/dbraw/zinc/56/13/01/1031561301.db2.gz HOTLHGXXEFBJLC-FQEVSTJZSA-N 1 0 378.900 3.587 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3cc(CC#N)ccn3)cc2)C1 ZINC001219701639 1031564029 /nfs/dbraw/zinc/56/40/29/1031564029.db2.gz SSKHYYREMCBTBY-QZTJIDSGSA-N 1 0 391.519 3.947 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001153510876 1031626671 /nfs/dbraw/zinc/62/66/71/1031626671.db2.gz XTBAKPZYFMHOQQ-CQSZACIVSA-N 1 0 376.485 3.827 20 30 GHEDRO CC(C)[C@H]1CCc2nc(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2C1 ZINC001220327548 1031898299 /nfs/dbraw/zinc/89/82/99/1031898299.db2.gz HWEHTNJUIXBOFD-HNNXBMFYSA-N 1 0 377.558 3.603 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 ZINC001220390662 1031924354 /nfs/dbraw/zinc/92/43/54/1031924354.db2.gz KJKKFTOYCPCWQO-NRFANRHFSA-N 1 0 392.503 3.568 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(c2cc(C)ccc2C)CC1)C(C)C ZINC001220597732 1032003724 /nfs/dbraw/zinc/00/37/24/1032003724.db2.gz HFNCXJRQVNMIEU-HSZRJFAPSA-N 1 0 398.595 3.834 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001220600197 1032004319 /nfs/dbraw/zinc/00/43/19/1032004319.db2.gz CZRGTXYSRVTWID-FYYLOGMGSA-N 1 0 398.595 3.601 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3snc4ccccc43)CC2)c1 ZINC001205278361 1033338159 /nfs/dbraw/zinc/33/81/59/1033338159.db2.gz YLBRZOHIJPMIPD-UHFFFAOYSA-N 1 0 391.500 3.954 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001229211658 1033346836 /nfs/dbraw/zinc/34/68/36/1033346836.db2.gz HPCCNGBCSMDCTE-SXOHWRJOSA-N 1 0 395.455 3.966 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@]1(C)Cc1cccc2ccccc21 ZINC001229292492 1033395903 /nfs/dbraw/zinc/39/59/03/1033395903.db2.gz UKQIHSFLLZJMOB-DEOSSOPVSA-N 1 0 377.532 3.902 20 30 GHEDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205472403 1033428484 /nfs/dbraw/zinc/42/84/84/1033428484.db2.gz CRIHZXQZSYZCDD-HXUWFJFHSA-N 1 0 377.463 3.678 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)ccc1F ZINC001205472655 1033429095 /nfs/dbraw/zinc/42/90/95/1033429095.db2.gz GIWOZCCTIHXFHR-PKTZIBPZSA-N 1 0 395.478 3.680 20 30 GHEDRO C#CCOc1cccc(Cl)c1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC001205495420 1033440376 /nfs/dbraw/zinc/44/03/76/1033440376.db2.gz AXVAFIYFKGCYQL-UHFFFAOYSA-N 1 0 392.286 3.839 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)C1 ZINC001229380349 1033449274 /nfs/dbraw/zinc/44/92/74/1033449274.db2.gz LTUVFRMKBIANCK-PZLNPOEISA-N 1 0 379.504 3.792 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](Oc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C#N ZINC001229448809 1033486812 /nfs/dbraw/zinc/48/68/12/1033486812.db2.gz PJICIKFQMQQKOI-AZUAARDMSA-N 1 0 385.508 3.953 20 30 GHEDRO N#Cc1cccnc1N1CCC(Oc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001229448184 1033487213 /nfs/dbraw/zinc/48/72/13/1033487213.db2.gz DXKZYHVCPGGMMN-UHFFFAOYSA-N 1 0 376.504 3.987 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H](C)C[N+](C)(C)C)c(C#N)c2)nc1C ZINC001229533891 1033543938 /nfs/dbraw/zinc/54/39/38/1033543938.db2.gz OTLXWDXOOYXNEO-ZDUSSCGKSA-N 1 0 388.513 3.640 20 30 GHEDRO N#Cc1c(NCc2ccc(-c3ccnc(F)c3)c(F)c2)ncc2c1CCC[NH2+]C2 ZINC001157363364 1033555118 /nfs/dbraw/zinc/55/51/18/1033555118.db2.gz XQCJWZDZXNIUTH-UHFFFAOYSA-N 1 0 391.425 3.941 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CCC[N@H+](C)CC2)c1 ZINC001229687581 1033641497 /nfs/dbraw/zinc/64/14/97/1033641497.db2.gz OWLZOMCVBSBTNA-YXOJNZSOSA-N 1 0 397.471 3.866 20 30 GHEDRO C#Cc1cnc2nc(O[C@@H]3CC[N@H+](Cc4ccccc4)C3)n(C(CC)CC)c2n1 ZINC001229759217 1033693499 /nfs/dbraw/zinc/69/34/99/1033693499.db2.gz BFGWCRAISVSJMB-HXUWFJFHSA-N 1 0 389.503 3.822 20 30 GHEDRO Cc1cc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)ncc1C#N ZINC001157668075 1033711285 /nfs/dbraw/zinc/71/12/85/1033711285.db2.gz PAQOYWLYDTXURH-UHFFFAOYSA-N 1 0 390.531 3.912 20 30 GHEDRO CCC[NH+]1C[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@@H]2C1 ZINC001157700393 1033730221 /nfs/dbraw/zinc/73/02/21/1033730221.db2.gz RHZXBAITJYJNBV-HOTGVXAUSA-N 1 0 383.883 3.572 20 30 GHEDRO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)s1 ZINC001206166715 1033751685 /nfs/dbraw/zinc/75/16/85/1033751685.db2.gz WVHAXHICHXAXJX-QFIPXVFZSA-N 1 0 396.560 3.751 20 30 GHEDRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1CN1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206188800 1033758338 /nfs/dbraw/zinc/75/83/38/1033758338.db2.gz VXGNOYFXPAUAAM-CHWSQXEVSA-N 1 0 388.327 3.994 20 30 GHEDRO N#Cc1cc(Br)c(OC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC001229890443 1033776040 /nfs/dbraw/zinc/77/60/40/1033776040.db2.gz HVZFPMNHCITCCM-UHFFFAOYSA-N 1 0 376.229 3.903 20 30 GHEDRO N#Cc1cc(Cl)cc(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)n1 ZINC001158093599 1033912128 /nfs/dbraw/zinc/91/21/28/1033912128.db2.gz QOKIRBNAZBTSJD-UHFFFAOYSA-N 1 0 381.789 3.911 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)C12CCOCC2 ZINC001206695078 1033948358 /nfs/dbraw/zinc/94/83/58/1033948358.db2.gz XAXITUHIEBJOJS-DLBZAZTESA-N 1 0 377.529 3.512 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3C[NH+]4CCC3CC4)c3ccccc32)ccc1F ZINC001230259720 1033967719 /nfs/dbraw/zinc/96/77/19/1033967719.db2.gz JHEVZRXKBTUILT-QFIPXVFZSA-N 1 0 388.446 3.704 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OC2CC[NH+](C)CC2)c1OC ZINC001230441047 1034058032 /nfs/dbraw/zinc/05/80/32/1034058032.db2.gz XVICRSHJXWSRNM-MDZDMXLPSA-N 1 0 397.471 3.779 20 30 GHEDRO Cc1cc(N(c2cc(C#C[Si](C)(C)C)ccn2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158395698 1034059665 /nfs/dbraw/zinc/05/96/65/1034059665.db2.gz DSNXRYFFKGBWST-UHFFFAOYSA-N 1 0 379.584 3.607 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(F)ccc(C)c3Br)C2)C1=O ZINC001277455881 1034064054 /nfs/dbraw/zinc/06/40/54/1034064054.db2.gz NCGSLHHYABZXOE-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(N(C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001158487779 1034105460 /nfs/dbraw/zinc/10/54/60/1034105460.db2.gz BXBXNOIERYWMGC-YBFXNURJSA-N 1 0 383.949 3.503 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)cc(Br)c1)CC2 ZINC001276509810 1034107648 /nfs/dbraw/zinc/10/76/48/1034107648.db2.gz JXWPFPJXCBGJBJ-KRWDZBQOSA-N 1 0 377.326 3.662 20 30 GHEDRO C#CC[C@H](C)Oc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC001231099715 1034398210 /nfs/dbraw/zinc/39/82/10/1034398210.db2.gz BABBTWWIHRSRKK-HNNXBMFYSA-N 1 0 388.443 3.878 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001277487919 1034406195 /nfs/dbraw/zinc/40/61/95/1034406195.db2.gz SZMATNILCAPBNE-QGZVFWFLSA-N 1 0 385.817 3.588 20 30 GHEDRO COc1cccc(CCC[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001207572909 1034456667 /nfs/dbraw/zinc/45/66/67/1034456667.db2.gz JDEHWCKYPPRPHT-UHFFFAOYSA-N 1 0 392.503 3.786 20 30 GHEDRO N#Cc1cc(Nc2cc(-c3ccc(F)cc3)sc2C(N)=O)cc(C2C[NH2+]C2)c1 ZINC001159220549 1034492361 /nfs/dbraw/zinc/49/23/61/1034492361.db2.gz QUOWUZNGIRQJLO-UHFFFAOYSA-N 1 0 392.459 3.955 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(Nc2cc([C@@H]3CCCC[NH2+]3)no2)cc1 ZINC001159313949 1034539982 /nfs/dbraw/zinc/53/99/82/1034539982.db2.gz WMKQZJQKNXVTKU-INIZCTEOSA-N 1 0 393.509 3.984 20 30 GHEDRO COc1cc(OC)cc(OCCC[N@H+](C)Cc2cc(C#N)ccc2N(C)C)c1 ZINC001204388817 1034593357 /nfs/dbraw/zinc/59/33/57/1034593357.db2.gz HGRFBRVXYBXVBB-UHFFFAOYSA-N 1 0 383.492 3.542 20 30 GHEDRO COC(=O)c1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(C(F)(F)F)c1 ZINC001159437924 1034595046 /nfs/dbraw/zinc/59/50/46/1034595046.db2.gz DMOUPGNEWKULDQ-UHFFFAOYSA-N 1 0 375.350 3.794 20 30 GHEDRO C=CCOC[C@H]1c2nnn(C)c2CCN1CCCc1cccc(C(F)(F)F)c1 ZINC001207841609 1034616985 /nfs/dbraw/zinc/61/69/85/1034616985.db2.gz FJLVMDCENSSLAI-SFHVURJKSA-N 1 0 394.441 3.569 20 30 GHEDRO N#Cc1cc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)nc2ccccc12 ZINC001159628610 1034696673 /nfs/dbraw/zinc/69/66/73/1034696673.db2.gz APOXNZJVGHULML-MEMLXQNLSA-N 1 0 389.547 3.857 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC001159634833 1034698827 /nfs/dbraw/zinc/69/88/27/1034698827.db2.gz SFTIMCYXFGLDNF-APWZRJJASA-N 1 0 389.337 3.894 20 30 GHEDRO CCCCCCC/C=C/C[NH+]1CCC2(CN(CCOC)C(=O)[C@@H]2COC)CC1 ZINC001208118936 1034746368 /nfs/dbraw/zinc/74/63/68/1034746368.db2.gz SLFJGRVDXUJHHQ-ZJVMWOEPSA-N 1 0 394.600 3.737 20 30 GHEDRO N#CCc1ccc(Nc2ccc3c(c2)C[NH2+]C3)c(I)c1 ZINC001159818395 1034752796 /nfs/dbraw/zinc/75/27/96/1034752796.db2.gz OXLDYPUIXICIGU-UHFFFAOYSA-N 1 0 375.213 3.704 20 30 GHEDRO C=CCOC[C@H]1C[N@@H+](CC[C@@H](C)c2ccc(C)o2)Cc2nnn(CC3CC3)c21 ZINC001208157274 1034761989 /nfs/dbraw/zinc/76/19/89/1034761989.db2.gz UILNZIMKGJIYDQ-VQIMIIECSA-N 1 0 384.524 3.885 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)COCc2c(C)nc(N(C)C)nc23)CC1 ZINC001208175015 1034774108 /nfs/dbraw/zinc/77/41/08/1034774108.db2.gz LZEKIEYWVOKFOE-AUSIDOKSSA-N 1 0 382.552 3.627 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)CC1 ZINC001208174731 1034774218 /nfs/dbraw/zinc/77/42/18/1034774218.db2.gz JDZWUUGAULXANM-TZIWHRDSSA-N 1 0 382.552 3.503 20 30 GHEDRO COc1cc(C#N)ccc1CN1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618533 1034776392 /nfs/dbraw/zinc/77/63/92/1034776392.db2.gz NWGPISQAVVIWNK-AJSBUHFISA-N 1 0 390.531 3.694 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)OCC(=O)N(c2cccnc2)[C@@H]3C)CC1 ZINC001208175680 1034776517 /nfs/dbraw/zinc/77/65/17/1034776517.db2.gz YZKLDTPQSMWRPC-TZIWHRDSSA-N 1 0 395.547 3.971 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1 ZINC001231622915 1034781474 /nfs/dbraw/zinc/78/14/74/1034781474.db2.gz MNYPCIJBNWPSMS-SIKLNZKXSA-N 1 0 380.463 3.737 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(NC(=O)c3ccc(OC)cc3)CC2)c1 ZINC001231623300 1034783715 /nfs/dbraw/zinc/78/37/15/1034783715.db2.gz AXTQNNUKXASKID-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC001231623646 1034785201 /nfs/dbraw/zinc/78/52/01/1034785201.db2.gz NWJPVRLPNFZSFL-UHFFFAOYSA-N 1 0 392.425 3.773 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CCc3cc(C(=O)OC)c(-c4ccoc4)nc3CC2)c1 ZINC001231655132 1034813365 /nfs/dbraw/zinc/81/33/65/1034813365.db2.gz LFTQVUYANFILGN-UHFFFAOYSA-N 1 0 386.451 3.710 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC(c3nc4ccc(Br)cn4n3)CC2)c1 ZINC001231657332 1034814747 /nfs/dbraw/zinc/81/47/47/1034814747.db2.gz IYTYMWGIWAFBNP-UHFFFAOYSA-N 1 0 395.304 3.853 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC001231657761 1034814983 /nfs/dbraw/zinc/81/49/83/1034814983.db2.gz SRHKAAHLQQIUJB-DNQXCXABSA-N 1 0 376.500 3.651 20 30 GHEDRO CCOC(=O)/C=C/c1cccnc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160100369 1034858891 /nfs/dbraw/zinc/85/88/91/1034858891.db2.gz YXGHITTZXPRVMJ-ZHACJKMWSA-N 1 0 390.487 3.628 20 30 GHEDRO CCOC(=O)c1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ncc1Cl ZINC001160100110 1034858939 /nfs/dbraw/zinc/85/89/39/1034858939.db2.gz RNCNFHXDILXKIG-UHFFFAOYSA-N 1 0 398.894 3.882 20 30 GHEDRO CCOC(=O)/C=C/c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001160100627 1034860252 /nfs/dbraw/zinc/86/02/52/1034860252.db2.gz LLXBDLYANHJIJE-PKNBQFBNSA-N 1 0 390.487 3.628 20 30 GHEDRO COc1cc(C)c2ncnc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC001160108827 1034865151 /nfs/dbraw/zinc/86/51/51/1034865151.db2.gz YEHDKWQWWBGTMP-UHFFFAOYSA-N 1 0 387.487 3.917 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(Cl)c(O)c4)C3)CC2=O)c1 ZINC001231738693 1034871768 /nfs/dbraw/zinc/87/17/68/1034871768.db2.gz SPQZAANGMGFJSI-NRFANRHFSA-N 1 0 381.863 3.546 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCN(CC)C(=O)OC(C)(C)C)[C@@H]2CC ZINC001208369573 1034873259 /nfs/dbraw/zinc/87/32/59/1034873259.db2.gz QKPFXTYNYHGNHX-GCJKJVERSA-N 1 0 393.572 3.665 20 30 GHEDRO N#Cc1cc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)ccc1OC1CCOCC1 ZINC001160217523 1034904218 /nfs/dbraw/zinc/90/42/18/1034904218.db2.gz MHXDAUQPONCQMQ-QFIPXVFZSA-N 1 0 393.487 3.990 20 30 GHEDRO N#Cc1cc(Br)c(F)cc1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001160249978 1034917122 /nfs/dbraw/zinc/91/71/22/1034917122.db2.gz LONBDGSNJXSTQO-UHFFFAOYSA-N 1 0 375.245 3.613 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001231816795 1034926253 /nfs/dbraw/zinc/92/62/53/1034926253.db2.gz SMURAQIJHIGZBU-WOJBJXKFSA-N 1 0 398.551 3.725 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001231817374 1034926383 /nfs/dbraw/zinc/92/63/83/1034926383.db2.gz ZXGMZTXQQUTLFJ-LJQANCHMSA-N 1 0 398.551 3.725 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)cc1 ZINC001231819992 1034927961 /nfs/dbraw/zinc/92/79/61/1034927961.db2.gz VNEZIQJFUFKJBA-QFIPXVFZSA-N 1 0 394.544 3.727 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001231820616 1034928390 /nfs/dbraw/zinc/92/83/90/1034928390.db2.gz HTDIQZOMAPEQJB-ROUUACIJSA-N 1 0 386.540 3.866 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160695754 1035038306 /nfs/dbraw/zinc/03/83/06/1035038306.db2.gz PWYZGSISUOKSKD-FQEVSTJZSA-N 1 0 381.605 3.824 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)cc1 ZINC001208861213 1035063400 /nfs/dbraw/zinc/06/34/00/1035063400.db2.gz FUNQVXCGSNMOKG-UHFFFAOYSA-N 1 0 383.499 3.803 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](CCCc3ccc(C#N)cc3)CC2)C1=O ZINC001208861857 1035064632 /nfs/dbraw/zinc/06/46/32/1035064632.db2.gz QORMCFLWOJIQMP-HSZRJFAPSA-N 1 0 387.527 3.829 20 30 GHEDRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208862420 1035065155 /nfs/dbraw/zinc/06/51/55/1035065155.db2.gz YJSUFXHFJXDGTL-HSZRJFAPSA-N 1 0 387.527 3.971 20 30 GHEDRO N#Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)s1 ZINC001276596329 1035072984 /nfs/dbraw/zinc/07/29/84/1035072984.db2.gz SFTLXQRFTBQOTE-OKILXGFUSA-N 1 0 385.455 3.746 20 30 GHEDRO COC[C@H]1C[N@H+](CCc2ccc(C#N)cc2)Cc2cn(CC3CCCC3)nc21 ZINC001208925494 1035091562 /nfs/dbraw/zinc/09/15/62/1035091562.db2.gz DQGAERNMECPDMZ-JOCHJYFZSA-N 1 0 378.520 3.733 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001160952107 1035103246 /nfs/dbraw/zinc/10/32/46/1035103246.db2.gz QDHVZYBVAHOCGV-OXQOHEQNSA-N 1 0 383.442 3.893 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001160951477 1035103356 /nfs/dbraw/zinc/10/33/56/1035103356.db2.gz MFNJLHWQNLNYLH-KOSHJBKYSA-N 1 0 399.494 3.924 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001232115820 1035104517 /nfs/dbraw/zinc/10/45/17/1035104517.db2.gz BRGAVQUYJWTODU-ALXJQNPVSA-N 1 0 375.900 3.947 20 30 GHEDRO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2ccc(C#N)c(Cl)c2)CC3)n1 ZINC001232119487 1035106619 /nfs/dbraw/zinc/10/66/19/1035106619.db2.gz DPFWSAWTFMKKNZ-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3nc(Cl)ccc3F)C[C@@H]2c2ccccc2)C1=O ZINC001232156272 1035134044 /nfs/dbraw/zinc/13/40/44/1035134044.db2.gz BICUEEIHSNGFSK-VGSWGCGISA-N 1 0 399.897 3.878 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161137797 1035155879 /nfs/dbraw/zinc/15/58/79/1035155879.db2.gz WXQBSPYXWNOPID-UHFFFAOYSA-N 1 0 392.837 3.616 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)C1=O ZINC001232219827 1035168570 /nfs/dbraw/zinc/16/85/70/1035168570.db2.gz GULWMJFIDPRNHS-DEOSSOPVSA-N 1 0 386.499 3.784 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001161181740 1035169178 /nfs/dbraw/zinc/16/91/78/1035169178.db2.gz FXJQDUSMDCWPSJ-INIZCTEOSA-N 1 0 398.297 3.917 20 30 GHEDRO C#CCCC[NH+]1CCC2(CC1)C[C@H](CC(=O)NCC1CC1)c1ccccc1O2 ZINC001209263280 1035226635 /nfs/dbraw/zinc/22/66/35/1035226635.db2.gz IWMFIKRVDYMIJE-FQEVSTJZSA-N 1 0 380.532 3.717 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(NC3(Cc4ccccn4)CC[NH2+]CC3)nn2)cc1 ZINC001161491302 1035240668 /nfs/dbraw/zinc/24/06/68/1035240668.db2.gz JZMLLNIDHJDXFL-NRFANRHFSA-N 1 0 398.514 3.612 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H](CC#N)C(F)(F)F)C1 ZINC001209329995 1035243738 /nfs/dbraw/zinc/24/37/38/1035243738.db2.gz MWMTYYMTIRDJPN-WMLDXEAASA-N 1 0 382.430 3.562 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC([NH3+])(c2cccnc2)CC1 ZINC001161581469 1035264370 /nfs/dbraw/zinc/26/43/70/1035264370.db2.gz RPNGXFUHQMHSSH-UHFFFAOYSA-N 1 0 398.244 3.654 20 30 GHEDRO CC(C)Oc1ccc(C(=O)N2CCC3(CC2)[NH2+]CCc2ccccc23)cc1C#N ZINC001161590923 1035267212 /nfs/dbraw/zinc/26/72/12/1035267212.db2.gz NSYRJLKDLUEOQM-UHFFFAOYSA-N 1 0 389.499 3.623 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001209424864 1035272012 /nfs/dbraw/zinc/27/20/12/1035272012.db2.gz XJDVJRPABMVLSV-JOCHJYFZSA-N 1 0 375.557 3.952 20 30 GHEDRO C=CCCCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001209437374 1035273635 /nfs/dbraw/zinc/27/36/35/1035273635.db2.gz JSBGJGOPWGARMR-YADHBBJMSA-N 1 0 390.593 3.801 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2C[C@H](C(=O)NCc3cccs3)O[C@@H]2C1 ZINC001209436929 1035273939 /nfs/dbraw/zinc/27/39/39/1035273939.db2.gz DDELFCSWZBEEST-DFQSSKMNSA-N 1 0 376.566 3.980 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001209444817 1035275915 /nfs/dbraw/zinc/27/59/15/1035275915.db2.gz ZKYNITJNZLQDJN-HSZRJFAPSA-N 1 0 391.600 3.742 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N(CC[NH3+])c3ccc(F)cc3)nc2)cc1 ZINC001161882805 1035320896 /nfs/dbraw/zinc/32/08/96/1035320896.db2.gz QKKYWHHQSHRVHB-UHFFFAOYSA-N 1 0 376.435 3.963 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(C)nc4ccccn43)C2)CC1 ZINC001209646802 1035342059 /nfs/dbraw/zinc/34/20/59/1035342059.db2.gz BMSSKSXVUIUTIC-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001209677154 1035352748 /nfs/dbraw/zinc/35/27/48/1035352748.db2.gz HYGGUIXLQSQZIQ-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)cn3ccnc13)[C@H]2CC ZINC001248439384 1035857419 /nfs/dbraw/zinc/85/74/19/1035857419.db2.gz FRLIGCPMCJCNNX-RXVVDRJESA-N 1 0 386.927 3.909 20 30 GHEDRO Cc1cccc(Br)c1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001248618999 1035995553 /nfs/dbraw/zinc/99/55/53/1035995553.db2.gz RJDKMNMDPPDOHS-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3ncc(C#N)c4oc(C(C)(C)C)nc43)c2)CC1 ZINC001243666830 1036243103 /nfs/dbraw/zinc/24/31/03/1036243103.db2.gz LJQZVMPQLLRWJA-UHFFFAOYSA-N 1 0 375.476 3.811 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2ccc([C@@H](C#N)c3ccccc3F)nn2)c1 ZINC001243751338 1036268574 /nfs/dbraw/zinc/26/85/74/1036268574.db2.gz WITFWOHMVFKFNQ-IBGZPJMESA-N 1 0 376.435 3.879 20 30 GHEDRO COc1cccc(C2CC([NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)c1 ZINC001462094372 1069991351 /nfs/dbraw/zinc/99/13/51/1069991351.db2.gz WPYZLFOVYXGTFG-OBFZPWGMSA-N 1 0 375.472 3.598 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc([C@@H](C#N)c2ccc(C)cc2)nn1 ZINC001244286271 1036460750 /nfs/dbraw/zinc/46/07/50/1036460750.db2.gz QPVWOJBUXFIYQY-NRFANRHFSA-N 1 0 399.498 3.526 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(-c2cccc(C[NH2+]C)c2F)nc1C(F)(F)F ZINC001244857735 1036687339 /nfs/dbraw/zinc/68/73/39/1036687339.db2.gz NWPXAHJCLLIODM-UHFFFAOYSA-N 1 0 381.329 3.674 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001245914515 1037053460 /nfs/dbraw/zinc/05/34/60/1037053460.db2.gz MBRBMPCGRWWTBC-PMACEKPBSA-N 1 0 376.529 3.709 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=S)Nc2ccc(C#N)cc2)CC1 ZINC001245914507 1037054156 /nfs/dbraw/zinc/05/41/56/1037054156.db2.gz LVQBJVPOPMCZHZ-UHFFFAOYSA-N 1 0 382.508 3.991 20 30 GHEDRO C=CCCCCCC[C@@H](O)CNc1ccc(C)cc1C(=O)NC1CC[NH2+]CC1 ZINC001245975727 1037101258 /nfs/dbraw/zinc/10/12/58/1037101258.db2.gz RIYRYYNLEXDVLF-HXUWFJFHSA-N 1 0 387.568 3.776 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CCC[NH2+]CC1 ZINC001246015198 1037136518 /nfs/dbraw/zinc/13/65/18/1037136518.db2.gz USCIBHADWHYRGH-JOCHJYFZSA-N 1 0 386.621 3.597 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CCC2(C[NH2+]C2)C1 ZINC001246028652 1037147318 /nfs/dbraw/zinc/14/73/18/1037147318.db2.gz UAHQSLIRZTZXBF-JOCHJYFZSA-N 1 0 398.632 3.597 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246032188 1037149915 /nfs/dbraw/zinc/14/99/15/1037149915.db2.gz LMNPNUUEXMKPBM-YTFSRNRJSA-N 1 0 398.632 3.595 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H]21 ZINC001278436330 1037241332 /nfs/dbraw/zinc/24/13/32/1037241332.db2.gz FQWZJWSUZUERFI-PKOBYXMFSA-N 1 0 380.964 3.820 20 30 GHEDRO CCCCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Cl)cn1 ZINC001278436921 1037247253 /nfs/dbraw/zinc/24/72/53/1037247253.db2.gz YPVMQFIXYJURAR-KDURUIRLSA-N 1 0 380.964 3.962 20 30 GHEDRO CCCCCCCCC[N@@H+]1CCC[C@@]2(CCCN(S(=O)(=O)N(C)C)C2)C1 ZINC001278442492 1037287897 /nfs/dbraw/zinc/28/78/97/1037287897.db2.gz UVZJHDJMKVSRKE-HXUWFJFHSA-N 1 0 387.634 3.721 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246483749 1037430065 /nfs/dbraw/zinc/43/00/65/1037430065.db2.gz VGKNHZZFGBISPO-SFHLNBCPSA-N 1 0 388.552 3.624 20 30 GHEDRO COC(=O)c1ccc([C@@H](N)C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001246528783 1037463877 /nfs/dbraw/zinc/46/38/77/1037463877.db2.gz YHEBHHLFPFSCSU-UDJZJCJKSA-N 1 0 377.488 3.661 20 30 GHEDRO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246532393 1037467420 /nfs/dbraw/zinc/46/74/20/1037467420.db2.gz ZFYXZSCHQWYFDC-IRLDBZIGSA-N 1 0 378.495 3.621 20 30 GHEDRO C=CCCC[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC001246615308 1037507846 /nfs/dbraw/zinc/50/78/46/1037507846.db2.gz QZLJWCHQKVLOPS-QFIPXVFZSA-N 1 0 385.552 3.838 20 30 GHEDRO CCOC(=O)[C@@H]1C[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)CCN1 ZINC001246893444 1037707620 /nfs/dbraw/zinc/70/76/20/1037707620.db2.gz VUHPCPNMGGFIBA-YSZBQJHXSA-N 1 0 391.515 3.805 20 30 GHEDRO CN(C)c1ccc(-c2nc3c(cccc3F)n2C2CC[NH2+]CC2)c(F)c1C#N ZINC001247026993 1037848012 /nfs/dbraw/zinc/84/80/12/1037848012.db2.gz VIVZPDPSXANQSL-UHFFFAOYSA-N 1 0 381.430 3.844 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(C[C@@H]([NH3+])Cc2cccs2)n1 ZINC001247164211 1037958459 /nfs/dbraw/zinc/95/84/59/1037958459.db2.gz MYAFINCUAZUAMN-LBPRGKRZSA-N 1 0 389.278 3.545 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cnc(Br)cc1C)C2 ZINC001232313648 1038072640 /nfs/dbraw/zinc/07/26/40/1038072640.db2.gz AMPBFUCKOIOPQX-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)C2 ZINC001232577271 1038346335 /nfs/dbraw/zinc/34/63/35/1038346335.db2.gz FUXLIIPKUWBPFA-OAQYLSRUSA-N 1 0 390.911 3.660 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OCc3ccccc3)ccn1)C2 ZINC001232591180 1038362894 /nfs/dbraw/zinc/36/28/94/1038362894.db2.gz KTZOHUWSFMDTJG-DNQXCXABSA-N 1 0 394.515 3.987 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3Cl)CC2)nc1 ZINC001232599109 1038377016 /nfs/dbraw/zinc/37/70/16/1038377016.db2.gz QMXGFDYTIYAEMW-UHFFFAOYSA-N 1 0 392.894 3.505 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3SC)CC2)C1=O ZINC001277688576 1038392822 /nfs/dbraw/zinc/39/28/22/1038392822.db2.gz LBWNBLQBLCVNJI-HXUWFJFHSA-N 1 0 376.953 3.900 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(C4=NO[C@]5(C4)CCC[NH2+]C5)n3)cc2)cc1 ZINC001247869505 1038437816 /nfs/dbraw/zinc/43/78/16/1038437816.db2.gz XGFIJLFFCWDLHW-QFIPXVFZSA-N 1 0 385.427 3.522 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3c1cccc3C(=O)OC)CCO2 ZINC001232708835 1038508700 /nfs/dbraw/zinc/50/87/00/1038508700.db2.gz WTCLLSLKLHSSGB-FDDCHVKYSA-N 1 0 398.503 3.528 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC001232890719 1038680105 /nfs/dbraw/zinc/68/01/05/1038680105.db2.gz LVYQRPCKELAVMF-YFXJRYMSSA-N 1 0 378.495 3.825 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnc(OC)c3ccccc13)C2 ZINC001232948848 1038725413 /nfs/dbraw/zinc/72/54/13/1038725413.db2.gz LEONWCKPBKJNGV-GMAHTHKFSA-N 1 0 382.504 3.817 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001233081447 1038852787 /nfs/dbraw/zinc/85/27/87/1038852787.db2.gz FDDJHQAKHXFBHE-XZOQPEGZSA-N 1 0 377.488 3.602 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001252127199 1038878667 /nfs/dbraw/zinc/87/86/67/1038878667.db2.gz YKCBLUAVWCQUNA-CTNGQTDRSA-N 1 0 375.557 3.927 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001252128128 1038881144 /nfs/dbraw/zinc/88/11/44/1038881144.db2.gz IUHSLUXSJSYJOS-OAQYLSRUSA-N 1 0 389.584 3.864 20 30 GHEDRO CN(C)c1ccc(C[NH+]2CCC(CC(=O)OC(C)(C)C)CC2)c(F)c1C#N ZINC001233102106 1038881471 /nfs/dbraw/zinc/88/14/71/1038881471.db2.gz PAKBFQZNZWSDMP-UHFFFAOYSA-N 1 0 375.488 3.707 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001252130853 1038883393 /nfs/dbraw/zinc/88/33/93/1038883393.db2.gz ZGRSOQAQVZZXKL-KRWDZBQOSA-N 1 0 388.478 3.729 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001252136653 1038887876 /nfs/dbraw/zinc/88/78/76/1038887876.db2.gz SQWQICYTAOSOOF-MOPGFXCFSA-N 1 0 398.588 3.714 20 30 GHEDRO C[C@](O)(C[NH+]1CCC2(CCC2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252317274 1038940509 /nfs/dbraw/zinc/94/05/09/1038940509.db2.gz PBZDBJUJVRGEAR-SFHVURJKSA-N 1 0 395.425 3.533 20 30 GHEDRO CCC[C@@H]1CCCC[N@@H+]1C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252320294 1038941475 /nfs/dbraw/zinc/94/14/75/1038941475.db2.gz LESPDMWUJNMMLB-VQIMIIECSA-N 1 0 397.441 3.921 20 30 GHEDRO CCC1CCC([NH2+]C[C@@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001252333413 1038945626 /nfs/dbraw/zinc/94/56/26/1038945626.db2.gz CIKKSPCEWXYHNJ-TYJKZOGGSA-N 1 0 397.441 3.825 20 30 GHEDRO C[C@@](O)(C[NH2+]C1CCCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340171 1038946424 /nfs/dbraw/zinc/94/64/24/1038946424.db2.gz NOBFWTXVXJGHJX-LJQANCHMSA-N 1 0 397.441 3.969 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@H](O)C[NH2+]C[C@@H]1CNC(=O)C1 ZINC001252372428 1038961587 /nfs/dbraw/zinc/96/15/87/1038961587.db2.gz HXJCAEYFZDOGKX-NHCUHLMSSA-N 1 0 384.605 3.791 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(CC1)c1ccccc1N(Cc1ccccc1)C2=O ZINC001252595656 1039040910 /nfs/dbraw/zinc/04/09/10/1039040910.db2.gz JFWAGTWVSOHDQG-OAQYLSRUSA-N 1 0 390.527 3.894 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2CC ZINC001252596778 1039041279 /nfs/dbraw/zinc/04/12/79/1039041279.db2.gz UXMQKPGBHUXTGV-NRFANRHFSA-N 1 0 394.563 3.504 20 30 GHEDRO N#Cc1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC001252935925 1039275093 /nfs/dbraw/zinc/27/50/93/1039275093.db2.gz DAKCTPONEHXMGD-LJQANCHMSA-N 1 0 375.394 3.626 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)C2 ZINC001233430384 1039300617 /nfs/dbraw/zinc/30/06/17/1039300617.db2.gz LHLCHTNHYWQVQJ-JOCHJYFZSA-N 1 0 387.524 3.804 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)NC(C)C)[C@@H]2C1 ZINC001252987135 1039314390 /nfs/dbraw/zinc/31/43/90/1039314390.db2.gz ZJPQYPAPGAGOHQ-YSFYHYPLSA-N 1 0 396.616 3.597 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H](O)COC[C@H](CC)CCCC)CC2 ZINC001253001556 1039329478 /nfs/dbraw/zinc/32/94/78/1039329478.db2.gz VCSDJNLJUYHXDA-XPNTWCBSSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233451849 1039334550 /nfs/dbraw/zinc/33/45/50/1039334550.db2.gz BPQOATIZYCLVSE-UHFFFAOYSA-N 1 0 384.398 3.631 20 30 GHEDRO CCOC(=O)c1cn2cccc(C[NH+]3CCC(c4ccc(C#N)cc4)CC3)c2n1 ZINC001233460051 1039351675 /nfs/dbraw/zinc/35/16/75/1039351675.db2.gz JEMGUACUZSHIME-UHFFFAOYSA-N 1 0 388.471 3.762 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@@H]1CC ZINC001253237074 1039493382 /nfs/dbraw/zinc/49/33/82/1039493382.db2.gz IJLJEJNWMVHLDJ-GIWBLDEGSA-N 1 0 394.600 3.756 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001253239261 1039496504 /nfs/dbraw/zinc/49/65/04/1039496504.db2.gz XKTGVMYOKAVDIL-ACIOBRDBSA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001253238842 1039496947 /nfs/dbraw/zinc/49/69/47/1039496947.db2.gz IGEUSMIWBQLCRJ-HXUWFJFHSA-N 1 0 380.536 3.827 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCN(c2cccc(OCCOC)c2)CC1 ZINC001253240527 1039498642 /nfs/dbraw/zinc/49/86/42/1039498642.db2.gz NBUJQGUVVBUUCP-QFIPXVFZSA-N 1 0 390.568 3.721 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001253247027 1039501883 /nfs/dbraw/zinc/50/18/83/1039501883.db2.gz FLJZKFQALCTOKM-NXEWRWPSSA-N 1 0 396.572 3.630 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C=C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253257566 1039505557 /nfs/dbraw/zinc/50/55/57/1039505557.db2.gz YEOLXLCAUZHNQX-VNTMZGSJSA-N 1 0 378.557 3.885 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001253255993 1039505665 /nfs/dbraw/zinc/50/56/65/1039505665.db2.gz QGIAIUSAWWMBQL-JOCHJYFZSA-N 1 0 383.536 3.640 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[N@H+](Cc3ccc(C)cc3)CC2)c(C#N)c1C ZINC001253280202 1039527184 /nfs/dbraw/zinc/52/71/84/1039527184.db2.gz OYEUVLVRXKOEFM-UHFFFAOYSA-N 1 0 396.560 3.691 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCC(F)(F)F ZINC001253312552 1039550998 /nfs/dbraw/zinc/55/09/98/1039550998.db2.gz NEGLYPXQOGXRIE-SSDOTTSWSA-N 1 0 396.253 3.881 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001253395941 1039598694 /nfs/dbraw/zinc/59/86/94/1039598694.db2.gz UAZTWXUEPRCUFU-ZRBLBEILSA-N 1 0 388.515 3.742 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253420301 1039615921 /nfs/dbraw/zinc/61/59/21/1039615921.db2.gz HOIUBKWISXHRKL-NRFANRHFSA-N 1 0 380.488 3.505 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]C(C)(C)c2ccc(C#N)cc2)cc1 ZINC001253431040 1039630947 /nfs/dbraw/zinc/63/09/47/1039630947.db2.gz NEDNPMVMPKEXGR-OAQYLSRUSA-N 1 0 394.515 3.898 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608620 1039719609 /nfs/dbraw/zinc/71/96/09/1039719609.db2.gz DFAUFXPJWYAZDR-QFBILLFUSA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H](C)CO ZINC001253614249 1039722724 /nfs/dbraw/zinc/72/27/24/1039722724.db2.gz KZDWEGZMCAZOTO-SFTDATJTSA-N 1 0 375.594 3.519 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1cnc[nH]1 ZINC001253614372 1039722917 /nfs/dbraw/zinc/72/29/17/1039722917.db2.gz NMMKEOVYVZSYDZ-NRFANRHFSA-N 1 0 383.577 3.814 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCc1c[nH]cn1 ZINC001253614422 1039723279 /nfs/dbraw/zinc/72/32/79/1039723279.db2.gz OLVWXNNATXGARG-JOCHJYFZSA-N 1 0 397.604 3.857 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CC2(COC2)C1 ZINC001253615115 1039724260 /nfs/dbraw/zinc/72/42/60/1039724260.db2.gz BYSJPQRMGUAZOJ-NRFANRHFSA-N 1 0 385.589 3.634 20 30 GHEDRO C=C(C)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001254085509 1039985315 /nfs/dbraw/zinc/98/53/15/1039985315.db2.gz LJVKZNJZDRRZKT-FCHUYYIVSA-N 1 0 379.504 3.539 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(O)ccc3ccc(OC)cc31)C2 ZINC001234546060 1040117507 /nfs/dbraw/zinc/11/75/07/1040117507.db2.gz XZCDUMFQAKVDKS-CVDCTZTESA-N 1 0 383.488 3.880 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254361022 1040192595 /nfs/dbraw/zinc/19/25/95/1040192595.db2.gz NLHGNGREZCIKHQ-YMISUZCDSA-N 1 0 385.483 3.906 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254596675 1040369699 /nfs/dbraw/zinc/36/96/99/1040369699.db2.gz DYOSLPMXPLRUSA-HXUWFJFHSA-N 1 0 399.491 3.563 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)(Cc2ccccn2)CC1 ZINC001254649212 1040418374 /nfs/dbraw/zinc/41/83/74/1040418374.db2.gz QYWJJQCDIYCYOL-MOPGFXCFSA-N 1 0 398.551 3.923 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)(Cc2ccccn2)CC1 ZINC001254649215 1040418383 /nfs/dbraw/zinc/41/83/83/1040418383.db2.gz QYWJJQCDIYCYOL-RTBURBONSA-N 1 0 398.551 3.923 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC001254652226 1040419459 /nfs/dbraw/zinc/41/94/59/1040419459.db2.gz BGWREPUNEUISIF-BBWFWOEESA-N 1 0 395.544 3.674 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1C[NH+]2CCC1CC2 ZINC001234904111 1040421167 /nfs/dbraw/zinc/42/11/67/1040421167.db2.gz XZDBHYXEWHUXKU-NRFANRHFSA-N 1 0 387.483 3.587 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254660581 1040423437 /nfs/dbraw/zinc/42/34/37/1040423437.db2.gz YSTOVQMBADFZIK-IAGOWNOFSA-N 1 0 377.529 3.559 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254677169 1040432970 /nfs/dbraw/zinc/43/29/70/1040432970.db2.gz QPADANQMBWTXBA-FXAWDEMLSA-N 1 0 384.524 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001254714084 1040473234 /nfs/dbraw/zinc/47/32/34/1040473234.db2.gz ZSWLSEZLFOLZEV-UHFFFAOYSA-N 1 0 385.508 3.597 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCCC3(CN(Cc4ccc[nH]4)C3)C2)c1 ZINC001278812067 1040536499 /nfs/dbraw/zinc/53/64/99/1040536499.db2.gz HPDQUSYJSVDEHO-UHFFFAOYSA-N 1 0 399.336 3.747 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254874238 1040618719 /nfs/dbraw/zinc/61/87/19/1040618719.db2.gz FATFIYMEKCQGBG-LVIWNVNYSA-N 1 0 377.573 3.796 20 30 GHEDRO O=C(CC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001254936806 1040677083 /nfs/dbraw/zinc/67/70/83/1040677083.db2.gz XDBFITOSKGXXIN-VXKWHMMOSA-N 1 0 398.506 3.670 20 30 GHEDRO FC(F)C(F)(F)Oc1ccc(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235230125 1040709161 /nfs/dbraw/zinc/70/91/61/1040709161.db2.gz JFBYTIHETPXLCF-FZMZJTMJSA-N 1 0 386.311 3.507 20 30 GHEDRO CCc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)n1 ZINC001235259229 1040741082 /nfs/dbraw/zinc/74/10/82/1040741082.db2.gz VVNUOQSARLDXGB-DEOSSOPVSA-N 1 0 390.531 3.635 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235264803 1040743673 /nfs/dbraw/zinc/74/36/73/1040743673.db2.gz YWFDIGUFGQDENY-OXQOHEQNSA-N 1 0 398.304 3.907 20 30 GHEDRO ON=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001255100345 1040782740 /nfs/dbraw/zinc/78/27/40/1040782740.db2.gz ZVCOIQNXMFCBGA-MRXNPFEDSA-N 1 0 379.382 3.585 20 30 GHEDRO CC[C@H](CC#N)[NH+]1CCC2(CC[C@@H](OCC(=O)N(C)C)c3ccccc32)CC1 ZINC001255167084 1040882246 /nfs/dbraw/zinc/88/22/46/1040882246.db2.gz VAUGUEZGDUJQQR-WIYYLYMNSA-N 1 0 383.536 3.652 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001255216198 1040911007 /nfs/dbraw/zinc/91/10/07/1040911007.db2.gz DRTFRGIZIXFSEI-XODKDNOYSA-N 1 0 383.492 3.553 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001235502596 1040964707 /nfs/dbraw/zinc/96/47/07/1040964707.db2.gz QXBFKYVAOWJDPA-AZUAARDMSA-N 1 0 375.900 3.790 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235505823 1040967046 /nfs/dbraw/zinc/96/70/46/1040967046.db2.gz WBHJMDLMWMCASM-HXUWFJFHSA-N 1 0 388.899 3.827 20 30 GHEDRO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2ccccc2CC#N)CC3)cs1 ZINC001235514155 1040970115 /nfs/dbraw/zinc/97/01/15/1040970115.db2.gz IEUDKHNFCRMKQN-UHFFFAOYSA-N 1 0 394.544 3.675 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001235515979 1040971298 /nfs/dbraw/zinc/97/12/98/1040971298.db2.gz XPVASCUNAQZICN-ISKFKSNPSA-N 1 0 391.515 3.736 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001235516107 1040971390 /nfs/dbraw/zinc/97/13/90/1040971390.db2.gz YZUPCXYURMSKDQ-OAQYLSRUSA-N 1 0 382.458 3.885 20 30 GHEDRO CC1(C)C[C@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)CCO1 ZINC001255533113 1041114429 /nfs/dbraw/zinc/11/44/29/1041114429.db2.gz UUCOAROREBBQOG-JOCHJYFZSA-N 1 0 388.511 3.870 20 30 GHEDRO CC(C)(C)OC(=O)CN1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001462525731 1070327825 /nfs/dbraw/zinc/32/78/25/1070327825.db2.gz ZUQYILSFXNJAOK-UHFFFAOYSA-N 1 0 397.563 3.786 20 30 GHEDRO COCCCN(Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235807176 1041315496 /nfs/dbraw/zinc/31/54/96/1041315496.db2.gz LVUFGWYYBJVZFV-XMMPIXPASA-N 1 0 392.547 3.917 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cnc(Br)c(C)c1)C2 ZINC001235824218 1041342578 /nfs/dbraw/zinc/34/25/78/1041342578.db2.gz QOTSSZOEKDKFPK-PKOBYXMFSA-N 1 0 395.341 3.726 20 30 GHEDRO C=CC[NH2+]CCN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1 ZINC001235865519 1041398405 /nfs/dbraw/zinc/39/84/05/1041398405.db2.gz QDDQGBQDTILPMX-UHFFFAOYSA-N 1 0 396.922 3.917 20 30 GHEDRO C#CCOc1ccc(CN(CC[NH3+])Cc2ccc(Cl)cc2Cl)cc1OC ZINC001235886157 1041413486 /nfs/dbraw/zinc/41/34/86/1041413486.db2.gz PUBDOXFAJSUZEB-UHFFFAOYSA-N 1 0 393.314 3.975 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH2+]C[C@H]3c3cccs3)cn2)cc1 ZINC001236115551 1041546552 /nfs/dbraw/zinc/54/65/52/1041546552.db2.gz RWGQMLYIBIAGQG-IBGZPJMESA-N 1 0 376.485 3.954 20 30 GHEDRO CSc1nc(CN2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)ccc1C#N ZINC001236153314 1041572924 /nfs/dbraw/zinc/57/29/24/1041572924.db2.gz DFAKEFFIBCQASB-QGZVFWFLSA-N 1 0 392.645 3.541 20 30 GHEDRO N#Cc1cc[nH]c1CN(Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001236489795 1041737676 /nfs/dbraw/zinc/73/76/76/1041737676.db2.gz SYTUFPOZMVIRON-UHFFFAOYSA-N 1 0 380.389 3.798 20 30 GHEDRO N#Cc1cc(F)c(CN(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(F)c1 ZINC001236505597 1041744469 /nfs/dbraw/zinc/74/44/69/1041744469.db2.gz VFTIEFARNLQXSU-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(OCC)c(F)c1)[C@@H]2CC ZINC001236689718 1041833255 /nfs/dbraw/zinc/83/32/55/1041833255.db2.gz JTWNPNVFKLQECU-NQIIRXRSSA-N 1 0 375.488 3.541 20 30 GHEDRO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(SC(F)(F)F)c1 ZINC001278000063 1041846941 /nfs/dbraw/zinc/84/69/41/1041846941.db2.gz BAKAEZDZEOZQET-GOSISDBHSA-N 1 0 382.451 3.889 20 30 GHEDRO CSc1nc(CN2CC[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)ccc1C#N ZINC001236816456 1041914139 /nfs/dbraw/zinc/91/41/39/1041914139.db2.gz YGYZTRYYNWDKHR-KRWDZBQOSA-N 1 0 392.450 3.840 20 30 GHEDRO CCCCCCCOc1ccc(CN2CC[C@]3(C(=O)OC)CC[NH2+][C@@H]3C2)cc1 ZINC001237065301 1042017714 /nfs/dbraw/zinc/01/77/14/1042017714.db2.gz UFYMEWYIHBRTFW-FYYLOGMGSA-N 1 0 388.552 3.763 20 30 GHEDRO CCN(CCC#N)Cc1cc(Br)cc(I)c1 ZINC001237074970 1042023102 /nfs/dbraw/zinc/02/31/02/1042023102.db2.gz HHZHYZGSHLKEMC-UHFFFAOYSA-N 1 0 393.066 3.789 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464118 1042218673 /nfs/dbraw/zinc/21/86/73/1042218673.db2.gz CGGSOGLBYJOBJF-MRXNPFEDSA-N 1 0 382.508 3.881 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237471077 1042222635 /nfs/dbraw/zinc/22/26/35/1042222635.db2.gz ANYTVMMPOAZWBG-PWIZWCRZSA-N 1 0 394.519 3.785 20 30 GHEDRO Cn1cc(C[NH+]2CCCN(C(=O)OC(C)(C)C)CCC2)c2cc(C#N)ccc21 ZINC001237473328 1042223878 /nfs/dbraw/zinc/22/38/78/1042223878.db2.gz XDQDQVHYRLYMHX-UHFFFAOYSA-N 1 0 382.508 3.883 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237473568 1042224926 /nfs/dbraw/zinc/22/49/26/1042224926.db2.gz OBFPEUTUKKVJCL-QZTJIDSGSA-N 1 0 394.519 3.739 20 30 GHEDRO Cn1c(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC001462598120 1070403578 /nfs/dbraw/zinc/40/35/78/1070403578.db2.gz WFBBRZMSCCJUFI-MRXNPFEDSA-N 1 0 380.883 3.570 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)c1 ZINC001237751335 1042353521 /nfs/dbraw/zinc/35/35/21/1042353521.db2.gz UOMHIDWAEFAWQX-HXUWFJFHSA-N 1 0 379.891 3.850 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]12 ZINC001237756122 1042355525 /nfs/dbraw/zinc/35/55/25/1042355525.db2.gz VVXYEWNBNIRSMC-BPQIPLTHSA-N 1 0 375.900 3.947 20 30 GHEDRO COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)c2)cc1 ZINC001237811979 1042381564 /nfs/dbraw/zinc/38/15/64/1042381564.db2.gz RKHJYSODXOIMOL-FQEVSTJZSA-N 1 0 379.481 3.914 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c(Cl)c1 ZINC001238082624 1042485581 /nfs/dbraw/zinc/48/55/81/1042485581.db2.gz KPMINZBNZLRBPS-JOCHJYFZSA-N 1 0 394.906 3.764 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC001238087116 1042487069 /nfs/dbraw/zinc/48/70/69/1042487069.db2.gz UKXJEJWYNIDXPA-ALXJQNPVSA-N 1 0 375.900 3.947 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@H]21 ZINC001238195749 1042515975 /nfs/dbraw/zinc/51/59/75/1042515975.db2.gz KXEOJPHRZFPHNX-YXJHDRRASA-N 1 0 375.900 3.947 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(-c3cc[nH]n3)c1)[C@@H]2CC ZINC001238200812 1042517893 /nfs/dbraw/zinc/51/78/93/1042517893.db2.gz XCXJEQNQFFIPOZ-GGAORHGYSA-N 1 0 378.520 3.998 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C)c4)C3)C2)ccc1C#N ZINC001238406412 1042586465 /nfs/dbraw/zinc/58/64/65/1042586465.db2.gz FIAZEZXJBZOUHM-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccc(OC(C)C)c1F)CC2 ZINC001238422105 1042591326 /nfs/dbraw/zinc/59/13/26/1042591326.db2.gz LAFJOEWDPSZWRY-UHFFFAOYSA-N 1 0 376.472 3.833 20 30 GHEDRO COc1cc(C)cc(F)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001238587138 1042648292 /nfs/dbraw/zinc/64/82/92/1042648292.db2.gz WZPHTRCWDVIKAS-HSZRJFAPSA-N 1 0 393.462 3.643 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(OC)ncc3-c3ccccc3)C2)C1=O ZINC001238602378 1042654231 /nfs/dbraw/zinc/65/42/31/1042654231.db2.gz XFHRYDNRDOSUHN-XMMPIXPASA-N 1 0 391.515 3.758 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001238744520 1042710611 /nfs/dbraw/zinc/71/06/11/1042710611.db2.gz BMTVMYDUBUYCBS-PMACEKPBSA-N 1 0 381.586 3.792 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc1C#N ZINC001238772959 1042722128 /nfs/dbraw/zinc/72/21/28/1042722128.db2.gz SSCFBTDPXBKYOR-MRXNPFEDSA-N 1 0 376.382 3.583 20 30 GHEDRO CCCCCCCCNC(=O)NCC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001239246226 1042795707 /nfs/dbraw/zinc/79/57/07/1042795707.db2.gz KVMIUPDFANDHLS-UHFFFAOYSA-N 1 0 375.557 3.976 20 30 GHEDRO COc1ncc(-c2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001239842678 1042853426 /nfs/dbraw/zinc/85/34/26/1042853426.db2.gz FYYBOPPFWZVXSL-UHFFFAOYSA-N 1 0 385.471 3.605 20 30 GHEDRO N#Cc1c(F)cc(-c2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)cc1F ZINC001239927705 1042864556 /nfs/dbraw/zinc/86/45/56/1042864556.db2.gz OLHXHQLZETXWMQ-UHFFFAOYSA-N 1 0 396.441 3.599 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291481002 1043295423 /nfs/dbraw/zinc/29/54/23/1043295423.db2.gz NLKLQKHEIWXWEL-WBVHZDCISA-N 1 0 386.569 3.896 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(C2CCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001291770848 1043453118 /nfs/dbraw/zinc/45/31/18/1043453118.db2.gz ABKZSSZIYVWKQO-QGZVFWFLSA-N 1 0 380.540 3.784 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)COc2ccccc2C#N)cc1C(F)(F)F ZINC001462728932 1070503226 /nfs/dbraw/zinc/50/32/26/1070503226.db2.gz LLXQXIACXAYILZ-UHFFFAOYSA-N 1 0 377.366 3.656 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N1CCC[C@@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001256584290 1043553214 /nfs/dbraw/zinc/55/32/14/1043553214.db2.gz AJCXJNNRVZIBCS-OAQYLSRUSA-N 1 0 391.515 3.760 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC001256603613 1043567261 /nfs/dbraw/zinc/56/72/61/1043567261.db2.gz HYLZJRBZFZFMDE-XMMPIXPASA-N 1 0 397.563 3.762 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCc3c(cccc3OC)C1)[C@H]2CC ZINC001256647898 1043591828 /nfs/dbraw/zinc/59/18/28/1043591828.db2.gz IVZQLSCCZDUOQE-APTRMMRNSA-N 1 0 382.548 3.974 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC001462736617 1070509339 /nfs/dbraw/zinc/50/93/39/1070509339.db2.gz ZYUJRRXCRJTNCK-UHFFFAOYSA-N 1 0 391.562 3.624 20 30 GHEDRO C[C@H](Cc1ccncc1)[NH2+]CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001256730509 1043639684 /nfs/dbraw/zinc/63/96/84/1043639684.db2.gz SYDYFENKWUYOCJ-HXUWFJFHSA-N 1 0 395.506 3.939 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C[NH2+]C3CCC(C#N)CC3)OC2)CC1 ZINC001256951139 1043769598 /nfs/dbraw/zinc/76/95/98/1043769598.db2.gz YFWLHENQNPBLKD-ACBHZAAOSA-N 1 0 391.556 3.855 20 30 GHEDRO CC(=O)CCN(CC[NH2+]C1CCC(C#N)CC1)c1nc2cc(Cl)ccc2o1 ZINC001256958792 1043773692 /nfs/dbraw/zinc/77/36/92/1043773692.db2.gz PWWFEIVWHNHMGT-UHFFFAOYSA-N 1 0 388.899 3.939 20 30 GHEDRO N#CC1CCC([NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001256960437 1043774811 /nfs/dbraw/zinc/77/48/11/1043774811.db2.gz ZGXIBDCQDJVFRA-UHFFFAOYSA-N 1 0 390.325 3.726 20 30 GHEDRO C[NH+]1CCC(C#N)(N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)CC1 ZINC001256960475 1043774876 /nfs/dbraw/zinc/77/48/76/1043774876.db2.gz OYHFHXYDRZYBFC-VQTJNVASSA-N 1 0 398.551 3.705 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)C[C@H]1C(F)(F)F ZINC001256971820 1043777828 /nfs/dbraw/zinc/77/78/28/1043777828.db2.gz MKBRRNHXIOQFKK-NEXFUWMNSA-N 1 0 375.435 3.846 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCC(NC(=O)C4CCOCC4)CC3)CC2)cc1 ZINC001257020862 1043805598 /nfs/dbraw/zinc/80/55/98/1043805598.db2.gz LFQSBNSXALHKFS-UHFFFAOYSA-N 1 0 395.547 3.592 20 30 GHEDRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001257062102 1043826649 /nfs/dbraw/zinc/82/66/49/1043826649.db2.gz AZICYZHOARTXHV-GOEBONIOSA-N 1 0 376.884 3.787 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H](C)Cc1ccc(C(=O)OCC)cc1)C2 ZINC001257162498 1043908791 /nfs/dbraw/zinc/90/87/91/1043908791.db2.gz ZWGCKSBGEKVADY-DVECYGJZSA-N 1 0 398.547 3.827 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccc(C(=O)OCC)cc1)C2 ZINC001257164857 1043910993 /nfs/dbraw/zinc/91/09/93/1043910993.db2.gz YYCUGNBSWLPBLJ-RZFNWQHOSA-N 1 0 387.520 3.620 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H](C)CCC(=O)OCCCC)C2)C1 ZINC001257393849 1043980966 /nfs/dbraw/zinc/98/09/66/1043980966.db2.gz UTPULXJKHFZEQL-GHTZIAJQSA-N 1 0 380.529 3.609 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H](C)CCC(=O)OCCCC)CC2)C1 ZINC001257392710 1043981080 /nfs/dbraw/zinc/98/10/80/1043981080.db2.gz DBKTYGUZPZNINP-IBGZPJMESA-N 1 0 394.556 3.999 20 30 GHEDRO O=C1C=C2C[N@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)CCC2S1 ZINC001257495219 1044020491 /nfs/dbraw/zinc/02/04/91/1044020491.db2.gz HNOHLKRNIAWXKS-XUJQIHCRSA-N 1 0 377.550 3.753 20 30 GHEDRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001293301938 1044099448 /nfs/dbraw/zinc/09/94/48/1044099448.db2.gz IEAZAGRQFOXTLA-MBOZVWFJSA-N 1 0 392.551 3.924 20 30 GHEDRO C=C1C[C@@H]2CC(N(Cc3cnc4n3CC[NH2+]CC4)c3ccccn3)C[C@H](C1)C2 ZINC001257891974 1044247200 /nfs/dbraw/zinc/24/72/00/1044247200.db2.gz SSJQFUMYGRGFFB-YOFSQIOKSA-N 1 0 377.536 3.565 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](Oc4ncc(Br)cn4)C3)C[C@H](C1)C2 ZINC001257895705 1044250710 /nfs/dbraw/zinc/25/07/10/1044250710.db2.gz YRCKNRBCOGTSDC-BBJBPXSTSA-N 1 0 378.314 3.827 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257960285 1044277515 /nfs/dbraw/zinc/27/75/15/1044277515.db2.gz HFYRMZLCUWLSOA-HLAWJBBLSA-N 1 0 377.912 3.717 20 30 GHEDRO CCCCCCC[C@@H](C)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258045300 1044368378 /nfs/dbraw/zinc/36/83/78/1044368378.db2.gz YVYVQMZFTMGTEE-TZIWHRDSSA-N 1 0 391.604 3.576 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001258047195 1044368715 /nfs/dbraw/zinc/36/87/15/1044368715.db2.gz ISJUUNRMVCEBKM-XQBPLPMBSA-N 1 0 388.556 3.579 20 30 GHEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001258047560 1044368815 /nfs/dbraw/zinc/36/88/15/1044368815.db2.gz MIBHCVGKOBYKDV-IBGZPJMESA-N 1 0 388.556 3.533 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H](C)CCCC(=O)OCC)C2)CC1 ZINC001258118117 1044405481 /nfs/dbraw/zinc/40/54/81/1044405481.db2.gz VKEIPNOUPRCEQY-SFHVURJKSA-N 1 0 380.529 3.609 20 30 GHEDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc(C#C[Si](C)(C)C)cc3)o2)C[C@@H](C)O1 ZINC001258144188 1044430724 /nfs/dbraw/zinc/43/07/24/1044430724.db2.gz AZWJMXSTFGDBPH-IAGOWNOFSA-N 1 0 383.568 3.617 20 30 GHEDRO C[C@@H](Cc1ccco1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001258191295 1044464109 /nfs/dbraw/zinc/46/41/09/1044464109.db2.gz DZTSNGYGKZKPIP-CVDCTZTESA-N 1 0 379.504 3.701 20 30 GHEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001258229076 1044479188 /nfs/dbraw/zinc/47/91/88/1044479188.db2.gz LWQNECHDQUKHOW-JAXLGGSGSA-N 1 0 382.589 3.902 20 30 GHEDRO CCC[N@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)C#N ZINC001294514281 1044677418 /nfs/dbraw/zinc/67/74/18/1044677418.db2.gz QKSZNHOYGNLLQW-INIZCTEOSA-N 1 0 388.947 3.926 20 30 GHEDRO C=CCC[C@H](C)[NH+](CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C ZINC001258734546 1044735883 /nfs/dbraw/zinc/73/58/83/1044735883.db2.gz FNFCHMUGXBTEMI-INIZCTEOSA-N 1 0 385.549 3.693 20 30 GHEDRO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC001294825246 1044811530 /nfs/dbraw/zinc/81/15/30/1044811530.db2.gz VKKXLOHRIJDACA-LJQANCHMSA-N 1 0 399.535 3.836 20 30 GHEDRO CC[NH+](CC)[C@@H](C)Cn1c(CC2CCCC2)nnc1N1CCC(C)(C#N)CC1 ZINC001295387260 1044996004 /nfs/dbraw/zinc/99/60/04/1044996004.db2.gz ZMHZCMLRTXLTOC-SFHVURJKSA-N 1 0 386.588 3.871 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC001296732305 1045364448 /nfs/dbraw/zinc/36/44/48/1045364448.db2.gz OGAFUUSYSRZAEN-UHFFFAOYSA-N 1 0 379.342 3.971 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccc(F)cc1 ZINC001261214521 1045924362 /nfs/dbraw/zinc/92/43/62/1045924362.db2.gz XKCXIZDFLURBBR-JOCHJYFZSA-N 1 0 379.479 3.726 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC001261438144 1045998405 /nfs/dbraw/zinc/99/84/05/1045998405.db2.gz WAIDDLYLENKCKZ-ZWKOTPCHSA-N 1 0 384.277 3.795 20 30 GHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001300948879 1046255795 /nfs/dbraw/zinc/25/57/95/1046255795.db2.gz GRNZMASJAYGAEN-UHFFFAOYSA-N 1 0 385.581 3.938 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300964300 1046263289 /nfs/dbraw/zinc/26/32/89/1046263289.db2.gz VDKAXQCKVSYCGG-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001300982414 1046274106 /nfs/dbraw/zinc/27/41/06/1046274106.db2.gz HUHSXSCCDZOOSI-WOJBJXKFSA-N 1 0 397.567 3.765 20 30 GHEDRO C=C1CCN(c2nnc(C)n2C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC001301067477 1046318108 /nfs/dbraw/zinc/31/81/08/1046318108.db2.gz ZWBDISPGISJCLA-NRFANRHFSA-N 1 0 381.524 3.589 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001301075252 1046322631 /nfs/dbraw/zinc/32/26/31/1046322631.db2.gz ZVJDZQVAZHNWHV-UHFFFAOYSA-N 1 0 395.551 3.986 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001301078579 1046323186 /nfs/dbraw/zinc/32/31/86/1046323186.db2.gz SKDCLCSYHRWSRP-HXUWFJFHSA-N 1 0 380.540 3.617 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001301118888 1046354955 /nfs/dbraw/zinc/35/49/55/1046354955.db2.gz NPGFGFBCNRBEBB-FQEVSTJZSA-N 1 0 394.567 3.863 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001301277856 1046448174 /nfs/dbraw/zinc/44/81/74/1046448174.db2.gz AVZYKTJTAFFEAC-KRWDZBQOSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CCN(C)c1nnc(C2CCC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001301297066 1046462432 /nfs/dbraw/zinc/46/24/32/1046462432.db2.gz WRFBKLFUIQDXGO-UHFFFAOYSA-N 1 0 389.613 3.920 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)[NH+](C)C)C1CC1 ZINC001301323838 1046487758 /nfs/dbraw/zinc/48/77/58/1046487758.db2.gz MPVAPVLPWHHSNW-LJQANCHMSA-N 1 0 396.564 3.803 20 30 GHEDRO N#CCCCCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccccc1 ZINC001263157484 1046599231 /nfs/dbraw/zinc/59/92/31/1046599231.db2.gz ZUYMKTYZLPBCNR-UHFFFAOYSA-N 1 0 392.551 3.627 20 30 GHEDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)C[C@@]2(C)C1 ZINC001301719416 1046674893 /nfs/dbraw/zinc/67/48/93/1046674893.db2.gz XCQGMXKKPCFADG-PSWAGMNNSA-N 1 0 389.499 3.551 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001263322179 1046711372 /nfs/dbraw/zinc/71/13/72/1046711372.db2.gz GSQGMBDTBFNURQ-UHFFFAOYSA-N 1 0 398.555 3.971 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@@H]1C ZINC001301958841 1046761801 /nfs/dbraw/zinc/76/18/01/1046761801.db2.gz IRDKGIVIBQKOEB-CVEARBPZSA-N 1 0 386.931 3.679 20 30 GHEDRO CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302132738 1046831677 /nfs/dbraw/zinc/83/16/77/1046831677.db2.gz MCLNOICTXCJKGL-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001303173275 1047303781 /nfs/dbraw/zinc/30/37/81/1047303781.db2.gz QVZPEFRLHXOIND-WOJBJXKFSA-N 1 0 394.567 3.909 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)[N@H+](C)C1CC1 ZINC001303697554 1047484229 /nfs/dbraw/zinc/48/42/29/1047484229.db2.gz YIYWPKUUHKMCNT-QGZVFWFLSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCC1)C[NH+]1CCCC1 ZINC001303747324 1047503148 /nfs/dbraw/zinc/50/31/48/1047503148.db2.gz PJXZPAHNSBFMFB-GOSISDBHSA-N 1 0 392.551 3.785 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001304548225 1047709273 /nfs/dbraw/zinc/70/92/73/1047709273.db2.gz UUTLKWXKIHJDSG-MOPGFXCFSA-N 1 0 394.567 3.505 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304802410 1047774014 /nfs/dbraw/zinc/77/40/14/1047774014.db2.gz PWXJNDAZPHYQIQ-QZTJIDSGSA-N 1 0 392.551 3.748 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1)[NH+]1CCC(C)CC1 ZINC001305065407 1047870533 /nfs/dbraw/zinc/87/05/33/1047870533.db2.gz ZJVLODNQHUTRMS-LJQANCHMSA-N 1 0 390.535 3.703 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC001279954275 1048007755 /nfs/dbraw/zinc/00/77/55/1048007755.db2.gz IYEXEDUNBNSCCV-SPLQCWDRSA-N 1 0 392.330 3.870 20 30 GHEDRO N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2cc(F)ccc2Cl)CCC1 ZINC001280002825 1048037845 /nfs/dbraw/zinc/03/78/45/1048037845.db2.gz ORMXYMHYFXSQPV-XLQHLMKVSA-N 1 0 375.875 3.546 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1ccc(C#N)o1 ZINC001305445475 1048058077 /nfs/dbraw/zinc/05/80/77/1048058077.db2.gz QTYFYQXJSQVKIK-ZWKOTPCHSA-N 1 0 396.539 3.617 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1Cc1ccc(C#N)o1 ZINC001305459850 1048066324 /nfs/dbraw/zinc/06/63/24/1048066324.db2.gz SZWSYTQXFCJSDU-QGZVFWFLSA-N 1 0 396.539 3.759 20 30 GHEDRO C=CCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1ccc2nsnc2c1 ZINC001280128614 1048095708 /nfs/dbraw/zinc/09/57/08/1048095708.db2.gz MIGHNTDKQMSUFO-OAHLLOKOSA-N 1 0 388.562 3.794 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2CCSC23C[NH+](CCCC2CCCCC2)C3)C1 ZINC001280157538 1048110042 /nfs/dbraw/zinc/11/00/42/1048110042.db2.gz JMGKHYTZMXQVDO-LJQANCHMSA-N 1 0 375.582 3.526 20 30 GHEDRO CCCC[C@H](CC)C[N@@H+]1CCCC2(CCN(S(=O)(=O)[C@H](C)C#N)CC2)C1 ZINC001280300280 1048169127 /nfs/dbraw/zinc/16/91/27/1048169127.db2.gz VLGPXBCEGXVJNF-MOPGFXCFSA-N 1 0 383.602 3.623 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](CC)[NH+]1CCCC1 ZINC001286284325 1048254682 /nfs/dbraw/zinc/25/46/82/1048254682.db2.gz BEKQPOHHSJXMEB-MSOLQXFVSA-N 1 0 390.535 3.759 20 30 GHEDRO C#CCCCCn1c(C2CC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001286322540 1048271997 /nfs/dbraw/zinc/27/19/97/1048271997.db2.gz CIABFPVYYYLKDM-UHFFFAOYSA-N 1 0 395.526 3.810 20 30 GHEDRO C#CCN(C)c1nnc(C2CC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001286372491 1048296412 /nfs/dbraw/zinc/29/64/12/1048296412.db2.gz VJGANXWKAOQFDW-QUCCMNQESA-N 1 0 377.536 3.526 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCC1CC[NH+](CC)CC1 ZINC001286523241 1048348717 /nfs/dbraw/zinc/34/87/17/1048348717.db2.gz SCWIWAFUUYJHPV-HSZRJFAPSA-N 1 0 385.600 3.981 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1CC[N@H+]1CC=CCC1 ZINC001286582866 1048376678 /nfs/dbraw/zinc/37/66/78/1048376678.db2.gz GWDXHQOLESKULD-UHFFFAOYSA-N 1 0 395.551 3.830 20 30 GHEDRO C=C(Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC001286620029 1048391633 /nfs/dbraw/zinc/39/16/33/1048391633.db2.gz ZBIJYESQFRLNBX-QKNQBKEWSA-N 1 0 395.551 3.762 20 30 GHEDRO C=C1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286637004 1048405281 /nfs/dbraw/zinc/40/52/81/1048405281.db2.gz QSTKTWXMGDBBCE-FQEVSTJZSA-N 1 0 383.540 3.869 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001286648633 1048416433 /nfs/dbraw/zinc/41/64/33/1048416433.db2.gz TVEKXVOBSUCGKI-IBGZPJMESA-N 1 0 383.515 3.649 20 30 GHEDRO CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[NH+](C(C)C)C(C)C ZINC001306096759 1048420725 /nfs/dbraw/zinc/42/07/25/1048420725.db2.gz QIRGHFUJPINWRI-UHFFFAOYSA-N 1 0 394.567 4.000 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001286670878 1048435198 /nfs/dbraw/zinc/43/51/98/1048435198.db2.gz MKSRNNZXCZABAH-QYZOEREBSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001286703878 1048462270 /nfs/dbraw/zinc/46/22/70/1048462270.db2.gz IJZUIFRLGOEBFI-HXUWFJFHSA-N 1 0 397.567 3.971 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286725512 1048483347 /nfs/dbraw/zinc/48/33/47/1048483347.db2.gz VBHVNTFAYRQJOX-NHCUHLMSSA-N 1 0 397.567 3.877 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001286760831 1048514880 /nfs/dbraw/zinc/51/48/80/1048514880.db2.gz QSGQQIQHHNJQTM-NRFANRHFSA-N 1 0 379.552 3.875 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001286966364 1048558807 /nfs/dbraw/zinc/55/88/07/1048558807.db2.gz ZUQNAUNATVSSIM-FXAWDEMLSA-N 1 0 378.524 3.558 20 30 GHEDRO CC(C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001287178438 1048626022 /nfs/dbraw/zinc/62/60/22/1048626022.db2.gz XNMKAMWDNGQGCE-GOSISDBHSA-N 1 0 380.540 3.784 20 30 GHEDRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C#N)[NH+](C)C ZINC001287328583 1048715920 /nfs/dbraw/zinc/71/59/20/1048715920.db2.gz HYMSMKRSOLCAND-SJORKVTESA-N 1 0 386.519 3.656 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001287441059 1048775776 /nfs/dbraw/zinc/77/57/76/1048775776.db2.gz POGCFVQBTLDJFF-DENIHFKCSA-N 1 0 384.572 3.624 20 30 GHEDRO CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001307003602 1049001622 /nfs/dbraw/zinc/00/16/22/1049001622.db2.gz YHUSTXFTYQLVEI-QGZVFWFLSA-N 1 0 380.540 3.926 20 30 GHEDRO N#Cc1cccc([C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001307522778 1049367908 /nfs/dbraw/zinc/36/79/08/1049367908.db2.gz CIHNQGCPUDSYDS-TZRRMPRUSA-N 1 0 375.516 3.578 20 30 GHEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cc2c(cc1Br)OCCO2 ZINC001307622609 1049457922 /nfs/dbraw/zinc/45/79/22/1049457922.db2.gz FHRXCIVEBZZERT-CYBMUJFWSA-N 1 0 387.277 3.985 20 30 GHEDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1C#N ZINC001307693145 1049511168 /nfs/dbraw/zinc/51/11/68/1049511168.db2.gz BWJWZIAARDBOJT-QGZVFWFLSA-N 1 0 383.517 3.600 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC001307943900 1049713741 /nfs/dbraw/zinc/71/37/41/1049713741.db2.gz MIYRQNOIBXIQIY-MRXNPFEDSA-N 1 0 378.259 3.517 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001290110193 1049733897 /nfs/dbraw/zinc/73/38/97/1049733897.db2.gz BRYCJVJVJPJCNK-UHFFFAOYSA-N 1 0 392.551 3.725 20 30 GHEDRO N#Cc1cc(F)ccc1N1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001308008833 1049758269 /nfs/dbraw/zinc/75/82/69/1049758269.db2.gz RQVWBSWCDIULOE-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC001308015253 1049765406 /nfs/dbraw/zinc/76/54/06/1049765406.db2.gz CCSWHTWLUGSBKK-LJQANCHMSA-N 1 0 391.284 3.842 20 30 GHEDRO CC[C@H](c1ccc(F)cc1)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC001308056710 1049803934 /nfs/dbraw/zinc/80/39/34/1049803934.db2.gz ISKBIKMUYANVFN-JOCHJYFZSA-N 1 0 394.494 3.795 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001308102534 1049849081 /nfs/dbraw/zinc/84/90/81/1049849081.db2.gz HNLUJFGAZRZOBK-PKOBYXMFSA-N 1 0 387.499 3.599 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2)cc1 ZINC001308114600 1049858868 /nfs/dbraw/zinc/85/88/68/1049858868.db2.gz PKOFUDGNWFFLSC-UHFFFAOYSA-N 1 0 396.422 3.814 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c1C ZINC001308151541 1049888110 /nfs/dbraw/zinc/88/81/10/1049888110.db2.gz MZFSBEMYLUKJJY-FYYLOGMGSA-N 1 0 396.579 3.745 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2c[nH]nc2C)cc1OCC ZINC001308195646 1049908290 /nfs/dbraw/zinc/90/82/90/1049908290.db2.gz QIRJEZMRYXMNIE-UHFFFAOYSA-N 1 0 380.286 3.734 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290720366 1049908610 /nfs/dbraw/zinc/90/86/10/1049908610.db2.gz HROJHLDMJNRLMX-KDURUIRLSA-N 1 0 394.567 3.853 20 30 GHEDRO C=CCc1cc(CNc2ccc(N3CC[NH+](CC)CC3)cc2)cc(OC)c1O ZINC001308216005 1049915425 /nfs/dbraw/zinc/91/54/25/1049915425.db2.gz UEHCUUIHOVZHQM-UHFFFAOYSA-N 1 0 381.520 3.883 20 30 GHEDRO CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308369044 1049960051 /nfs/dbraw/zinc/96/00/51/1049960051.db2.gz GGXOPNGBWKBTTP-LJQANCHMSA-N 1 0 383.879 3.896 20 30 GHEDRO CCOc1ccc(C[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C(=O)OC)cc1 ZINC001308643934 1050045414 /nfs/dbraw/zinc/04/54/14/1050045414.db2.gz APNKOMXDURJJGH-HXUWFJFHSA-N 1 0 392.499 3.762 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC001308939881 1050199323 /nfs/dbraw/zinc/19/93/23/1050199323.db2.gz RLALSYVZVJIEAV-HSZRJFAPSA-N 1 0 399.535 3.700 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001308958240 1050217776 /nfs/dbraw/zinc/21/77/76/1050217776.db2.gz FRMNCVRJHACGBK-NZQKXSOJSA-N 1 0 399.535 3.969 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)C1 ZINC001327872225 1050306911 /nfs/dbraw/zinc/30/69/11/1050306911.db2.gz QMDPZTSVFZHDFD-MRXNPFEDSA-N 1 0 386.521 3.699 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC001327975940 1050342748 /nfs/dbraw/zinc/34/27/48/1050342748.db2.gz SPRHTYWGQIQXEA-UHFFFAOYSA-N 1 0 397.906 3.878 20 30 GHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1)CC(C)C ZINC001309342081 1050612913 /nfs/dbraw/zinc/61/29/13/1050612913.db2.gz OFRQFHSZHBMQDW-UHFFFAOYSA-N 1 0 397.610 3.530 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)CCC[NH2+]1 ZINC001329937891 1050927283 /nfs/dbraw/zinc/92/72/83/1050927283.db2.gz PPYLAVMCMAAXIQ-HXUWFJFHSA-N 1 0 384.867 3.624 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CC[NH+]([C@@H](CC)c3ccccc3)CC2)cc1 ZINC001310302845 1051279761 /nfs/dbraw/zinc/27/97/61/1051279761.db2.gz ITVBQKCDVMJILY-QFIPXVFZSA-N 1 0 377.488 3.999 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001310352542 1051302935 /nfs/dbraw/zinc/30/29/35/1051302935.db2.gz XSYOAGMPJSTXOI-GOSISDBHSA-N 1 0 393.491 3.941 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)[C@@H]2C1 ZINC001310364321 1051309958 /nfs/dbraw/zinc/30/99/58/1051309958.db2.gz PRVHLZNMEVLFTF-CRAIPNDOSA-N 1 0 380.423 3.657 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC001310858277 1051657386 /nfs/dbraw/zinc/65/73/86/1051657386.db2.gz LUJJDCPZJJRUNK-CQSZACIVSA-N 1 0 389.912 3.796 20 30 GHEDRO C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(SC(F)(F)F)c1 ZINC001333296963 1051711949 /nfs/dbraw/zinc/71/19/49/1051711949.db2.gz DXBJFHLUOJLYNJ-AJQURBJUSA-N 1 0 383.439 3.615 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)c3c(C)cc(C#N)cc3C)CC2)c1 ZINC001333748708 1051829673 /nfs/dbraw/zinc/82/96/73/1051829673.db2.gz RCRRYZNIHLEJHW-UHFFFAOYSA-N 1 0 377.488 3.578 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccccc3)cc2n1 ZINC001311237999 1051959933 /nfs/dbraw/zinc/95/99/33/1051959933.db2.gz SMEKSUJDNUIUST-UHFFFAOYSA-N 1 0 377.492 3.818 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccc(Br)cc1 ZINC001311345964 1052042559 /nfs/dbraw/zinc/04/25/59/1052042559.db2.gz RBPUFICXHFMTTK-QGZVFWFLSA-N 1 0 392.341 3.687 20 30 GHEDRO C=C1CCC(CNC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)CC1 ZINC001336192489 1052238064 /nfs/dbraw/zinc/23/80/64/1052238064.db2.gz LTKNIXUQMGROAZ-UHFFFAOYSA-N 1 0 385.556 3.512 20 30 GHEDRO C=CCSCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001312482892 1052760709 /nfs/dbraw/zinc/76/07/09/1052760709.db2.gz CDMPPUNCFZFFCD-OAHLLOKOSA-N 1 0 376.353 3.815 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001342299670 1053085940 /nfs/dbraw/zinc/08/59/40/1053085940.db2.gz QSRGKWGBEDSAGZ-CEWLAPEOSA-N 1 0 395.551 3.805 20 30 GHEDRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 ZINC001313703882 1053182533 /nfs/dbraw/zinc/18/25/33/1053182533.db2.gz HWRSLOXGTRENCH-JOCHJYFZSA-N 1 0 398.530 3.734 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001313760821 1053209108 /nfs/dbraw/zinc/20/91/08/1053209108.db2.gz SRBBTVGXVCEMAU-KRWDZBQOSA-N 1 0 378.524 3.537 20 30 GHEDRO C#CC[C@@H](CC)c1nnc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1CC ZINC001342521757 1053215520 /nfs/dbraw/zinc/21/55/20/1053215520.db2.gz ZZCXNKQZPFJIGI-OAHLLOKOSA-N 1 0 385.478 3.668 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)CC1)C1CC1 ZINC001313804490 1053239818 /nfs/dbraw/zinc/23/98/18/1053239818.db2.gz AUJNESOFIYOXOC-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C ZINC001313819256 1053246619 /nfs/dbraw/zinc/24/66/19/1053246619.db2.gz KEQIKNOUBDLSBI-JOCHJYFZSA-N 1 0 386.588 3.871 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)C1 ZINC001313887425 1053271231 /nfs/dbraw/zinc/27/12/31/1053271231.db2.gz DBXWRVYEOVYSHW-HBFSDRIKSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313902141 1053279816 /nfs/dbraw/zinc/27/98/16/1053279816.db2.gz JXEOIRKQBRPJCW-DENIHFKCSA-N 1 0 378.524 3.559 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313911366 1053286474 /nfs/dbraw/zinc/28/64/74/1053286474.db2.gz OHRAIFFQRXTJLY-KNQAVFIVSA-N 1 0 384.572 3.940 20 30 GHEDRO CC(C)Cn1c(-c2coc(C#N)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342852645 1053389898 /nfs/dbraw/zinc/38/98/98/1053389898.db2.gz DVXCFUASVIHNSN-JXFKEZNVSA-N 1 0 394.523 3.519 20 30 GHEDRO Cn1ccnc1[C@@H](C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]1(C)c1ccccc1 ZINC001342925711 1053440370 /nfs/dbraw/zinc/44/03/70/1053440370.db2.gz VWWGOSXWHZJCQJ-HWBMXIPRSA-N 1 0 398.510 3.686 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001343314472 1053698265 /nfs/dbraw/zinc/69/82/65/1053698265.db2.gz GAIGKPDJTDGLQZ-QAPCUYQASA-N 1 0 398.382 3.684 20 30 GHEDRO CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001343386136 1053740659 /nfs/dbraw/zinc/74/06/59/1053740659.db2.gz JREYSRVEHHQBOD-QFIPXVFZSA-N 1 0 389.499 3.809 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001343457499 1053782478 /nfs/dbraw/zinc/78/24/78/1053782478.db2.gz OJMDDTAIJKFEMX-KRWDZBQOSA-N 1 0 386.569 3.770 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C#N)n2CC(C)C)CC1 ZINC001343498213 1053816390 /nfs/dbraw/zinc/81/63/90/1053816390.db2.gz OKIGYKMTHZKHBY-UHFFFAOYSA-N 1 0 388.604 3.975 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001343554859 1053873817 /nfs/dbraw/zinc/87/38/17/1053873817.db2.gz VMPMIPLSCVNETH-ZWKOTPCHSA-N 1 0 377.577 3.898 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001343557678 1053878240 /nfs/dbraw/zinc/87/82/40/1053878240.db2.gz LJWRGMMYIHSXKF-HLAWJBBLSA-N 1 0 392.551 3.519 20 30 GHEDRO CC(C)CN(C)c1nnc(C2CCN(CCC#N)CC2)n1Cc1cccs1 ZINC001343559048 1053880190 /nfs/dbraw/zinc/88/01/90/1053880190.db2.gz PLVQPDBMBJEWHD-UHFFFAOYSA-N 1 0 386.569 3.573 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(COC)o2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001343627918 1053935900 /nfs/dbraw/zinc/93/59/00/1053935900.db2.gz BZRMEMYWQGRXQA-UHFFFAOYSA-N 1 0 399.539 3.715 20 30 GHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2cccs2)[n+]2cccc(CO)c2)c1 ZINC001318166443 1054466493 /nfs/dbraw/zinc/46/64/93/1054466493.db2.gz MUJPAFMLEBZVPR-UHFFFAOYSA-O 1 0 393.513 3.833 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc(CC#N)cc2)CCCC1)c1ccccc1 ZINC001318951287 1054961161 /nfs/dbraw/zinc/96/11/61/1054961161.db2.gz MNQMUHRKHFOBPC-GOSISDBHSA-N 1 0 397.544 3.695 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)CC1 ZINC001319391147 1055223146 /nfs/dbraw/zinc/22/31/46/1055223146.db2.gz LODRMKPYFDVLAP-UHFFFAOYSA-N 1 0 376.325 3.504 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCN2c3ccccc3OCC2=O)cc1 ZINC001319785597 1055467191 /nfs/dbraw/zinc/46/71/91/1055467191.db2.gz YZDPUWXSEFOPIT-MRXNPFEDSA-N 1 0 386.879 3.894 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001320208507 1055707008 /nfs/dbraw/zinc/70/70/08/1055707008.db2.gz JKHZMYKXIITPDI-FQEVSTJZSA-N 1 0 398.459 3.959 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](CO)CC2CCOCC2)c1 ZINC001322019051 1056477233 /nfs/dbraw/zinc/47/72/33/1056477233.db2.gz XKNWUQDMELJZBF-OAQYLSRUSA-N 1 0 394.515 3.652 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300644354 1056756420 /nfs/dbraw/zinc/75/64/20/1056756420.db2.gz ZYZHJIMPMYARGR-LJQANCHMSA-N 1 0 397.542 3.912 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCC[NH+]1CCCC1 ZINC001300648943 1056767159 /nfs/dbraw/zinc/76/71/59/1056767159.db2.gz RHXLRPPKQUCCFS-UHFFFAOYSA-N 1 0 395.526 3.810 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c(OC)c1 ZINC001354984300 1057005062 /nfs/dbraw/zinc/00/50/62/1057005062.db2.gz NNUOHQAPLKEELW-HXUWFJFHSA-N 1 0 392.499 3.814 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001300789636 1057029897 /nfs/dbraw/zinc/02/98/97/1057029897.db2.gz SBZZIIWCWVIZEA-PGRDOPGGSA-N 1 0 381.524 3.713 20 30 GHEDRO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC001324401078 1057126125 /nfs/dbraw/zinc/12/61/25/1057126125.db2.gz YXGNPRHSERDMOS-OAHLLOKOSA-N 1 0 379.407 3.643 20 30 GHEDRO C#CCN(CC1CC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001324663682 1057195461 /nfs/dbraw/zinc/19/54/61/1057195461.db2.gz DUWWNKMRGFZGHH-APWZRJJASA-N 1 0 377.891 3.527 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@]12CCC=C1OCC2 ZINC001355957477 1057333194 /nfs/dbraw/zinc/33/31/94/1057333194.db2.gz GMMZQVCOYRYOGJ-JPYJTQIMSA-N 1 0 397.567 3.501 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nnc1[C@]12CCC=C1OCC2 ZINC001355957478 1057333261 /nfs/dbraw/zinc/33/32/61/1057333261.db2.gz GMMZQVCOYRYOGJ-MBSDFSHPSA-N 1 0 397.567 3.501 20 30 GHEDRO C=CCn1c(C[C@H](C)SCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001356019197 1057358531 /nfs/dbraw/zinc/35/85/31/1057358531.db2.gz KBMRSOPSAIIXNW-KRWDZBQOSA-N 1 0 377.602 3.603 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1[C@]1(C)CCC=CO1 ZINC001356238785 1057442763 /nfs/dbraw/zinc/44/27/63/1057442763.db2.gz LBNDKBZTAOWNMR-XQFWAAQXSA-N 1 0 397.567 3.847 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000849050473 1057559177 /nfs/dbraw/zinc/55/91/77/1057559177.db2.gz SQEQMUPIZIBVFU-FQEVSTJZSA-N 1 0 394.544 3.806 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001326798647 1057560168 /nfs/dbraw/zinc/56/01/68/1057560168.db2.gz UOABQIONAMFJNK-OAHLLOKOSA-N 1 0 394.313 3.716 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)n1CC1CC1 ZINC001327240424 1057627383 /nfs/dbraw/zinc/62/73/83/1057627383.db2.gz XKLRKBPMZKOIIE-UHFFFAOYSA-N 1 0 378.520 3.591 20 30 GHEDRO CCn1c(C2CCCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001338763235 1058771011 /nfs/dbraw/zinc/77/10/11/1058771011.db2.gz YFEYNEOMJJKGRQ-UHFFFAOYSA-N 1 0 392.551 3.930 20 30 GHEDRO C=CCn1c(-c2ccc(C)nc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001338800078 1058793841 /nfs/dbraw/zinc/79/38/41/1058793841.db2.gz ZZPOXXKGSZYLBY-WIYYLYMNSA-N 1 0 392.551 3.596 20 30 GHEDRO C=CCn1c([C@H](O)C2CCCC2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001338814208 1058807297 /nfs/dbraw/zinc/80/72/97/1058807297.db2.gz SSXHGUVNUUKUHJ-LJQANCHMSA-N 1 0 387.572 3.533 20 30 GHEDRO C=CCn1c(COC2CCCCC2)nnc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001339006952 1058921938 /nfs/dbraw/zinc/92/19/38/1058921938.db2.gz MOTMMXWILJOEJL-UHFFFAOYSA-N 1 0 399.543 3.520 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001339031282 1058931551 /nfs/dbraw/zinc/93/15/51/1058931551.db2.gz NRYLUJIIKIWGTF-GOSISDBHSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CCCC1(C)C ZINC001339110462 1058964351 /nfs/dbraw/zinc/96/43/51/1058964351.db2.gz REYOFYSTMFGWCF-UHFFFAOYSA-N 1 0 386.544 3.512 20 30 GHEDRO C=CCn1c(Nc2cccc(OC)c2)nnc1[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001339250663 1059042294 /nfs/dbraw/zinc/04/22/94/1059042294.db2.gz NDDNDTLVYJWFBI-LJQANCHMSA-N 1 0 383.496 3.532 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(-c2cccc(F)c2)nc1C)C(C)C ZINC001443427512 1059127847 /nfs/dbraw/zinc/12/78/47/1059127847.db2.gz MJWCOMIVLPRQKQ-OAQYLSRUSA-N 1 0 384.499 3.748 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001339498348 1059255550 /nfs/dbraw/zinc/25/55/50/1059255550.db2.gz GBJDEMVMCOOITR-CRAIPNDOSA-N 1 0 396.495 3.546 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)ccc1NC(=O)N(C)C)C(C)C ZINC001339781040 1059466778 /nfs/dbraw/zinc/46/67/78/1059466778.db2.gz XNGJZZBCXRPGRD-FQEVSTJZSA-N 1 0 386.540 3.517 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001339811995 1059493217 /nfs/dbraw/zinc/49/32/17/1059493217.db2.gz ZUKJXKJWIJSWBP-FQEVSTJZSA-N 1 0 392.551 3.801 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCCC[C@H](SC)C1 ZINC001339917119 1059555786 /nfs/dbraw/zinc/55/57/86/1059555786.db2.gz DLCXONLWEGLNIC-IPQPSQTFSA-N 1 0 389.613 3.601 20 30 GHEDRO CCn1c([C@@H](C)Cc2ccc(C#N)cc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001340093411 1059692163 /nfs/dbraw/zinc/69/21/63/1059692163.db2.gz GCZBXVRRIGLRIY-SFHVURJKSA-N 1 0 394.567 3.826 20 30 GHEDRO CC[C@H](Cn1c(C2CCC2)nnc1N(C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001545984663 1059759938 /nfs/dbraw/zinc/75/99/38/1059759938.db2.gz NCKFXCBYOLHQPB-OAQYLSRUSA-N 1 0 392.551 3.928 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001340345124 1059874335 /nfs/dbraw/zinc/87/43/35/1059874335.db2.gz AFCKIBAOPBWDIF-HSALFYBXSA-N 1 0 384.572 3.962 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340390947 1059907507 /nfs/dbraw/zinc/90/75/07/1059907507.db2.gz VIWJVWKSBZQAPO-PZJWPPBQSA-N 1 0 377.536 3.893 20 30 GHEDRO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001340491619 1059951112 /nfs/dbraw/zinc/95/11/12/1059951112.db2.gz QKDOOSBKBCRXGS-QGZVFWFLSA-N 1 0 375.561 3.795 20 30 GHEDRO CC[C@H](Cn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001545996718 1059973162 /nfs/dbraw/zinc/97/31/62/1059973162.db2.gz CJVONLCNVYLWEO-TZIWHRDSSA-N 1 0 394.567 3.790 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)Cc3ccc(C#N)cc3)n2CC)C1 ZINC001340975874 1060304406 /nfs/dbraw/zinc/30/44/06/1060304406.db2.gz QYZOLQXTWZTPBV-GHTZIAJQSA-N 1 0 394.567 3.684 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC001449631457 1060436763 /nfs/dbraw/zinc/43/67/63/1060436763.db2.gz BYWDNIROLIHCFN-GOSISDBHSA-N 1 0 377.488 3.694 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001341152016 1060453875 /nfs/dbraw/zinc/45/38/75/1060453875.db2.gz QQUNFPBRFDHWOG-OALUTQOASA-N 1 0 380.540 3.664 20 30 GHEDRO CCN(c1nnc(CCCC#N)n1CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001341186601 1060478340 /nfs/dbraw/zinc/47/83/40/1060478340.db2.gz LRJNYXMWNFAGJC-UYAOXDASSA-N 1 0 380.540 3.806 20 30 GHEDRO C#C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC001450279167 1060568841 /nfs/dbraw/zinc/56/88/41/1060568841.db2.gz XASDRYCJWRNIFN-ZWKOTPCHSA-N 1 0 375.310 3.647 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)c3csc(C4CC[NH2+]CC4)n3)CC2)cc1 ZINC001341474389 1060708678 /nfs/dbraw/zinc/70/86/78/1060708678.db2.gz YNNCYHGIYYFWIE-UHFFFAOYSA-N 1 0 380.517 3.502 20 30 GHEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1cccc(OCC#N)c1 ZINC001341691517 1060816070 /nfs/dbraw/zinc/81/60/70/1060816070.db2.gz IUEPCRJMWGAZGF-MRXNPFEDSA-N 1 0 385.895 3.769 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001341823680 1060910430 /nfs/dbraw/zinc/91/04/30/1060910430.db2.gz IKCYHGZGXSFMBI-YADHBBJMSA-N 1 0 389.503 3.532 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342005602 1060991964 /nfs/dbraw/zinc/99/19/64/1060991964.db2.gz FUVXCEWVIATELE-UHFFFAOYSA-N 1 0 386.569 3.776 20 30 GHEDRO C#CC1CCC(c2nnc(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)n2CC=C)CC1 ZINC001342038506 1061014650 /nfs/dbraw/zinc/01/46/50/1061014650.db2.gz QYXHSGIILJDKNN-BFIYSBSQSA-N 1 0 381.568 3.538 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[NH+](CC)CC)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001342088990 1061049667 /nfs/dbraw/zinc/04/96/67/1061049667.db2.gz RWCQPXPTIBYERL-AUSIDOKSSA-N 1 0 396.583 3.748 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC=NO2)nnc1N1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001342123693 1061069959 /nfs/dbraw/zinc/06/99/59/1061069959.db2.gz ZVFHJTPSSVAQLA-AEFFLSMTSA-N 1 0 397.527 3.637 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[N@@H+](C)CCC)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001342190166 1061118826 /nfs/dbraw/zinc/11/88/26/1061118826.db2.gz VHCBVYLMGNRJCO-WMZHIEFXSA-N 1 0 396.583 3.748 20 30 GHEDRO C=CCn1c(-c2cccc3ocnc32)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342206979 1061134662 /nfs/dbraw/zinc/13/46/62/1061134662.db2.gz BBDCOPOHZXSABM-UHFFFAOYSA-N 1 0 392.507 3.727 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@H](C#N)C1 ZINC001342232225 1061160384 /nfs/dbraw/zinc/16/03/84/1061160384.db2.gz KRWSUIATQBFYIN-RTWAWAEBSA-N 1 0 390.535 3.584 20 30 GHEDRO C=C(C)Cn1c(Cc2cccc(O)c2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001346355780 1061528207 /nfs/dbraw/zinc/52/82/07/1061528207.db2.gz NEYIWSPGNYRPFM-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001346525784 1061653441 /nfs/dbraw/zinc/65/34/41/1061653441.db2.gz ANQITQFBAGOEDK-UYAOXDASSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001346526462 1061654222 /nfs/dbraw/zinc/65/42/22/1061654222.db2.gz KCFAVUKRIGQHIR-RTBURBONSA-N 1 0 395.551 3.666 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CCC1(C)C ZINC001454265600 1061680824 /nfs/dbraw/zinc/68/08/24/1061680824.db2.gz FFDCVKHDBSPJDA-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)[NH+]2CCCCC2)o1 ZINC001361175858 1061686741 /nfs/dbraw/zinc/68/67/41/1061686741.db2.gz WYPWJLLRFUSZCS-INIZCTEOSA-N 1 0 384.528 3.707 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001346645873 1061760374 /nfs/dbraw/zinc/76/03/74/1061760374.db2.gz AVQDHPNJAXRXRZ-IAGOWNOFSA-N 1 0 381.515 3.925 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001455508413 1062196147 /nfs/dbraw/zinc/19/61/47/1062196147.db2.gz XGMNQGPEGZBSIV-NRFANRHFSA-N 1 0 383.536 3.829 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1c1ccc(F)cc1F ZINC001347394782 1062350471 /nfs/dbraw/zinc/35/04/71/1062350471.db2.gz LSNKKZWRVBPPRA-VQTJNVASSA-N 1 0 396.437 3.909 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c(OC)c1 ZINC001435168173 1062352932 /nfs/dbraw/zinc/35/29/32/1062352932.db2.gz BIWQWKBIZCVYND-UHFFFAOYSA-N 1 0 386.536 3.525 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC001455941104 1062362355 /nfs/dbraw/zinc/36/23/55/1062362355.db2.gz FGQDBEYLMDRJDM-UHFFFAOYSA-N 1 0 396.918 3.675 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001347733239 1062606827 /nfs/dbraw/zinc/60/68/27/1062606827.db2.gz DHAVJGHZBPORDP-NQIIRXRSSA-N 1 0 392.551 3.806 20 30 GHEDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1C#N ZINC001435666015 1062830626 /nfs/dbraw/zinc/83/06/26/1062830626.db2.gz WJXZUVVCXXBNEU-BHDDXSALSA-N 1 0 389.499 3.597 20 30 GHEDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001348372086 1063029553 /nfs/dbraw/zinc/02/95/53/1063029553.db2.gz QSPVRMJNRVFMOE-GOSISDBHSA-N 1 0 379.504 3.987 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)c1C#N ZINC001457526538 1063225643 /nfs/dbraw/zinc/22/56/43/1063225643.db2.gz KZRJUXUPFJIFNE-MSOLQXFVSA-N 1 0 393.535 3.982 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC001458565498 1063894762 /nfs/dbraw/zinc/89/47/62/1063894762.db2.gz SPKWIJWWWYXESQ-UHFFFAOYSA-N 1 0 377.330 3.951 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)Nc1cc(C)n(CCC#N)n1)c1ccccc1 ZINC001350074850 1063980422 /nfs/dbraw/zinc/98/04/22/1063980422.db2.gz VGQSGVDDDYHBQJ-LJQANCHMSA-N 1 0 382.512 3.700 20 30 GHEDRO COc1cc(CN2CC[NH+](Cc3c(C)cc(C#N)cc3C)CC2)cc(OC)c1 ZINC001459634237 1064150814 /nfs/dbraw/zinc/15/08/14/1064150814.db2.gz XJTFLZYUBGVOTJ-UHFFFAOYSA-N 1 0 379.504 3.510 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(C#N)ccc1C ZINC001350848451 1064202223 /nfs/dbraw/zinc/20/22/23/1064202223.db2.gz LQTLNOQAZMLQIE-UHFFFAOYSA-N 1 0 375.476 3.811 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc(C(C)(C)C#N)n2CC2CC2)CC1 ZINC001351333635 1064385929 /nfs/dbraw/zinc/38/59/29/1064385929.db2.gz GGOZNKVMGYOXAQ-UHFFFAOYSA-N 1 0 384.572 3.724 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001351573790 1064518974 /nfs/dbraw/zinc/51/89/74/1064518974.db2.gz KJUPVCYLZYKXDW-GOSISDBHSA-N 1 0 396.514 3.723 20 30 GHEDRO C[C@H]1CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCCCC2)O1 ZINC000847103863 1064707955 /nfs/dbraw/zinc/70/79/55/1064707955.db2.gz GKDBEUGJBFYKQU-WMZOPIPTSA-N 1 0 390.487 3.647 20 30 GHEDRO C=C(Br)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001200244041 1065722799 /nfs/dbraw/zinc/72/27/99/1065722799.db2.gz PJHQELPNGULFQN-UHFFFAOYSA-N 1 0 377.105 3.899 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001465768971 1065841087 /nfs/dbraw/zinc/84/10/87/1065841087.db2.gz FIKUBYZNHAJZDO-IRLDBZIGSA-N 1 0 389.499 3.694 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[NH+]1CCCC1 ZINC001300275583 1065906130 /nfs/dbraw/zinc/90/61/30/1065906130.db2.gz WRRAYNIERIWZCT-MSOLQXFVSA-N 1 0 399.514 3.501 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300282748 1065920314 /nfs/dbraw/zinc/92/03/14/1065920314.db2.gz IXEMGYVNJNBHQZ-ZWKOTPCHSA-N 1 0 391.519 3.881 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300304294 1065960135 /nfs/dbraw/zinc/96/01/35/1065960135.db2.gz QLHBMLDUFGFVTQ-RXVVDRJESA-N 1 0 377.536 3.668 20 30 GHEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1 ZINC001353509045 1065987089 /nfs/dbraw/zinc/98/70/89/1065987089.db2.gz SNXGFAVLJWAPIO-SFHVURJKSA-N 1 0 394.475 3.544 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001300328165 1065995955 /nfs/dbraw/zinc/99/59/55/1065995955.db2.gz HRUIESGXILLHQR-QWFCFKBJSA-N 1 0 395.551 3.717 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2COc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000847745535 1066010576 /nfs/dbraw/zinc/01/05/76/1066010576.db2.gz JZYXVYWWLKMRJK-NRFANRHFSA-N 1 0 390.483 3.587 20 30 GHEDRO N#CC1(COC(=O)C2=Cc3ccccc3OC2)CC[NH+](Cc2ccccc2)CC1 ZINC000847745071 1066013792 /nfs/dbraw/zinc/01/37/92/1066013792.db2.gz ANOLPPPFKGEXIH-UHFFFAOYSA-N 1 0 388.467 3.812 20 30 GHEDRO CC1(/C=C/C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000847746813 1066026308 /nfs/dbraw/zinc/02/63/08/1066026308.db2.gz QVKKSRUNAQSKBB-BQYQJAHWSA-N 1 0 382.504 3.708 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001466342521 1066102773 /nfs/dbraw/zinc/10/27/73/1066102773.db2.gz CZFDIOWUNUPZOV-QWHCGFSZSA-N 1 0 384.402 3.699 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1)CC1CC1 ZINC001466382008 1066124312 /nfs/dbraw/zinc/12/43/12/1066124312.db2.gz FCWYQGPHISENKG-YFHOEESVSA-N 1 0 386.511 3.769 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)ccc1OC ZINC001200460181 1066292735 /nfs/dbraw/zinc/29/27/35/1066292735.db2.gz USEOAXIFDBPKLJ-IBGZPJMESA-N 1 0 391.471 3.518 20 30 GHEDRO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC001467172992 1067121392 /nfs/dbraw/zinc/12/13/92/1067121392.db2.gz YTMGBTVYXNFDBG-UHFFFAOYSA-N 1 0 378.476 3.601 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N[C@H](C[NH+](C)C)c3ccc(OC)cc3)cc21 ZINC001467381747 1067266399 /nfs/dbraw/zinc/26/63/99/1067266399.db2.gz WBLHOAPYOWXITC-HXUWFJFHSA-N 1 0 393.491 3.655 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NCc1ccc(C)c(C#N)c1 ZINC001467601665 1067379218 /nfs/dbraw/zinc/37/92/18/1067379218.db2.gz VQJIEKYNUXHONR-UHFFFAOYSA-N 1 0 394.519 3.587 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC001468015008 1067565621 /nfs/dbraw/zinc/56/56/21/1067565621.db2.gz GEQUREKQABGBAC-QFIPXVFZSA-N 1 0 394.494 3.889 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001358876257 1067590770 /nfs/dbraw/zinc/59/07/70/1067590770.db2.gz GGJWEAXLUIIDMA-OALUTQOASA-N 1 0 395.551 3.534 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359002946 1067644827 /nfs/dbraw/zinc/64/48/27/1067644827.db2.gz SJGJJYUFZREWSG-LJQANCHMSA-N 1 0 395.551 3.534 20 30 GHEDRO C#CCN(CC)c1nnc(CCCc2ccccc2)n1CC[NH+]1CCCCCC1 ZINC001359012251 1067652681 /nfs/dbraw/zinc/65/26/81/1067652681.db2.gz DWBAMKYLZPKMID-UHFFFAOYSA-N 1 0 393.579 3.789 20 30 GHEDRO C#CCN(CC)c1nnc(CC2CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001359012213 1067652711 /nfs/dbraw/zinc/65/27/11/1067652711.db2.gz CIBMUHUEBYMUHG-QFIPXVFZSA-N 1 0 391.563 3.836 20 30 GHEDRO C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359012264 1067652749 /nfs/dbraw/zinc/65/27/49/1067652749.db2.gz FJLWTTIARVKJKH-NRFANRHFSA-N 1 0 393.579 3.645 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001359069443 1067670745 /nfs/dbraw/zinc/67/07/45/1067670745.db2.gz LSSUIFMUAQCIIP-HSZRJFAPSA-N 1 0 395.526 3.809 20 30 GHEDRO C=C(Br)Cn1c(CC(C)C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001359084722 1067677786 /nfs/dbraw/zinc/67/77/86/1067677786.db2.gz PZWQGCMIPJHUDE-MRXNPFEDSA-N 1 0 398.393 3.553 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001359114826 1067693350 /nfs/dbraw/zinc/69/33/50/1067693350.db2.gz ASPAPUFPHVFOLV-FQEVSTJZSA-N 1 0 382.556 3.541 20 30 GHEDRO C=C(Cl)Cn1c(C)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001359143460 1067707511 /nfs/dbraw/zinc/70/75/11/1067707511.db2.gz AURMWALGIPRZJU-UHFFFAOYSA-N 1 0 385.943 3.832 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001359148542 1067709970 /nfs/dbraw/zinc/70/99/70/1067709970.db2.gz TUWIJFYYHHAQIV-QGZVFWFLSA-N 1 0 396.926 3.736 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001359160928 1067717210 /nfs/dbraw/zinc/71/72/10/1067717210.db2.gz JRQZPMCXPIMCIC-LJQANCHMSA-N 1 0 395.551 3.842 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359177122 1067737054 /nfs/dbraw/zinc/73/70/54/1067737054.db2.gz AYOIYMLVHDTHCQ-IBGZPJMESA-N 1 0 382.556 3.796 20 30 GHEDRO C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359203497 1067773790 /nfs/dbraw/zinc/77/37/90/1067773790.db2.gz QDYLFPSPBJDCMX-IBGZPJMESA-N 1 0 375.561 3.654 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)cc1 ZINC000849330306 1067802592 /nfs/dbraw/zinc/80/25/92/1067802592.db2.gz ODBUSKWMFGXLJA-LJQANCHMSA-N 1 0 385.305 3.967 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359230762 1067831889 /nfs/dbraw/zinc/83/18/89/1067831889.db2.gz FDQKTBLGKUHQDS-IRXDYDNUSA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359235091 1067838597 /nfs/dbraw/zinc/83/85/97/1067838597.db2.gz NJHRIJZYZAJLDV-MRXNPFEDSA-N 1 0 388.947 3.880 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359241769 1067851675 /nfs/dbraw/zinc/85/16/75/1067851675.db2.gz CKWZXWSGEWENIE-SFHVURJKSA-N 1 0 385.531 3.752 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359242123 1067852671 /nfs/dbraw/zinc/85/26/71/1067852671.db2.gz QOWZANIACQRRQM-OAQYLSRUSA-N 1 0 394.567 3.683 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001359249137 1067895234 /nfs/dbraw/zinc/89/52/34/1067895234.db2.gz PMISRUHBFLUEDD-UHFFFAOYSA-N 1 0 380.540 3.759 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001359250201 1067900685 /nfs/dbraw/zinc/90/06/85/1067900685.db2.gz DYKCNKRXEMEOKT-HKUYNNGSSA-N 1 0 385.512 3.570 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001468843337 1067907069 /nfs/dbraw/zinc/90/70/69/1067907069.db2.gz PCTJAPGPVJWWJH-GHTZIAJQSA-N 1 0 379.504 3.714 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC001359253749 1067908560 /nfs/dbraw/zinc/90/85/60/1067908560.db2.gz SHKNGNCLJKULKQ-NHCUHLMSSA-N 1 0 395.551 3.896 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359705234 1068146496 /nfs/dbraw/zinc/14/64/96/1068146496.db2.gz ACFATBOLMIAAOK-OAQYLSRUSA-N 1 0 398.580 3.651 20 30 GHEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C)[NH+](C)C ZINC001359766580 1068176502 /nfs/dbraw/zinc/17/65/02/1068176502.db2.gz PYTHIHKEZFGHPO-PXNSSMCTSA-N 1 0 380.540 3.782 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1 ZINC001360106726 1068363981 /nfs/dbraw/zinc/36/39/81/1068363981.db2.gz OLMXLIWWAQJQQJ-UHFFFAOYSA-N 1 0 394.548 3.855 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C ZINC001360129131 1068377074 /nfs/dbraw/zinc/37/70/74/1068377074.db2.gz NRTUECIFFOMRBE-QFIPXVFZSA-N 1 0 395.555 3.589 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)NCc1ccc(Oc2cccc3ccccc32)cc1 ZINC001469929118 1068476498 /nfs/dbraw/zinc/47/64/98/1068476498.db2.gz MWZXFDFWVBFIGM-UHFFFAOYSA-N 1 0 387.483 3.996 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+]1CC=CCC1 ZINC001360469673 1068519191 /nfs/dbraw/zinc/51/91/91/1068519191.db2.gz GFBXIGUNLMQHQG-MRXNPFEDSA-N 1 0 384.915 3.599 20 30 GHEDRO C[C@H](CCn1c(C2CC2)nnc1N1CC[C@@](F)(C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001360509542 1068537750 /nfs/dbraw/zinc/53/77/50/1068537750.db2.gz UWMAKWXPGFXALS-VGOFRKELSA-N 1 0 396.514 3.508 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001478235082 1078777470 /nfs/dbraw/zinc/77/74/70/1078777470.db2.gz XOFMQEGZNXNFBQ-SJLPKXTDSA-N 1 0 381.442 3.596 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001478235406 1078778043 /nfs/dbraw/zinc/77/80/43/1078778043.db2.gz JDQKPTCHDLVEMA-CVDCTZTESA-N 1 0 375.516 3.768 20 30 GHEDRO C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccccc2C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460270857 1068898990 /nfs/dbraw/zinc/89/89/90/1068898990.db2.gz KTAUBOCDDKDRKM-ZHALLVOQSA-N 1 0 387.524 3.808 20 30 GHEDRO CC(C)O[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC001460346226 1068935541 /nfs/dbraw/zinc/93/55/41/1068935541.db2.gz YNKFYNZEHWRPCP-JKSUJKDBSA-N 1 0 389.565 3.963 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCOc2ccc(C#N)cc2)C12CCC2 ZINC001460484617 1068976462 /nfs/dbraw/zinc/97/64/62/1068976462.db2.gz NFIDIUJGIIHGOT-IBGZPJMESA-N 1 0 385.508 3.849 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2CCOc2ccccc2C#N)C1 ZINC001460667257 1069071908 /nfs/dbraw/zinc/07/19/08/1069071908.db2.gz QIUPJTFONJZERJ-RTBURBONSA-N 1 0 385.508 3.658 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001478392960 1078848675 /nfs/dbraw/zinc/84/86/75/1078848675.db2.gz FMTWZXMPOUMBQH-WMZHIEFXSA-N 1 0 393.531 3.913 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2CSC[C@@]2(C)C1 ZINC001460896367 1069260173 /nfs/dbraw/zinc/26/01/73/1069260173.db2.gz MCWAQMGVNKQEBE-LAPQFRIASA-N 1 0 389.590 3.901 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC001460934840 1069283761 /nfs/dbraw/zinc/28/37/61/1069283761.db2.gz WKZBMWPMGDGHNQ-QZTJIDSGSA-N 1 0 382.533 3.651 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001478497001 1078894297 /nfs/dbraw/zinc/89/42/97/1078894297.db2.gz UDYYLNPVDWUIGS-QHCPKHFHSA-N 1 0 393.531 3.654 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001478964892 1079042548 /nfs/dbraw/zinc/04/25/48/1079042548.db2.gz ZAAFQNAFCJTGTQ-NHCUHLMSSA-N 1 0 377.573 3.655 20 30 GHEDRO CN1CCC([NH+]2CCC(Nc3cc(C(F)(F)F)c(F)cc3C#N)CC2)CC1 ZINC001472677364 1073611966 /nfs/dbraw/zinc/61/19/66/1073611966.db2.gz PZZHZDWZEPHLHA-UHFFFAOYSA-N 1 0 384.421 3.687 20 30 GHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2cc(C(F)(F)F)c(F)cc2C#N)CC1 ZINC001472681885 1073614470 /nfs/dbraw/zinc/61/44/70/1073614470.db2.gz AXYLESSUXLAFHC-GJZGRUSLSA-N 1 0 398.448 3.711 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001472732559 1073641447 /nfs/dbraw/zinc/64/14/47/1073641447.db2.gz GBBQRXQXUPSCTH-UHFFFAOYSA-N 1 0 391.475 3.611 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNc2ccc([N+](=O)[O-])cc2C#N)CCOCC1 ZINC001472871549 1073704297 /nfs/dbraw/zinc/70/42/97/1073704297.db2.gz JBJDACZTGXAKLN-UHFFFAOYSA-N 1 0 380.448 3.560 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](CC)C(=O)OC(C)(C)C ZINC001472961803 1073735782 /nfs/dbraw/zinc/73/57/82/1073735782.db2.gz DBDNGRMFXWQLGD-INIZCTEOSA-N 1 0 394.585 3.705 20 30 GHEDRO C[N@H+](C[C@H](O)CC1(C#N)CCC1)CC1(c2ccc(Br)cc2)CC1 ZINC001473179029 1073835874 /nfs/dbraw/zinc/83/58/74/1073835874.db2.gz FZTKGMVIQRYIIC-QGZVFWFLSA-N 1 0 377.326 3.857 20 30 GHEDRO C[C@H](CN1CCOCC1)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001473232084 1073877041 /nfs/dbraw/zinc/87/70/41/1073877041.db2.gz YJRNETSCXKIBAP-LJQANCHMSA-N 1 0 381.495 3.668 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001473274788 1073901766 /nfs/dbraw/zinc/90/17/66/1073901766.db2.gz ISDMVHPTQQHVDE-NRFANRHFSA-N 1 0 396.579 3.515 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)c1 ZINC001473466130 1073978894 /nfs/dbraw/zinc/97/88/94/1073978894.db2.gz YZCDIWJWUDGSBW-DYESRHJHSA-N 1 0 375.472 3.789 20 30 GHEDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C12CCC2 ZINC001473535221 1074007444 /nfs/dbraw/zinc/00/74/44/1074007444.db2.gz FCNOSKDIJILSKD-DOPJRALCSA-N 1 0 387.549 3.620 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC001473551788 1074013695 /nfs/dbraw/zinc/01/36/95/1074013695.db2.gz SYKAAWLCIYQWSK-YADHBBJMSA-N 1 0 389.499 3.974 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CC[NH+](CC[C@H]4CCCC4(F)F)CC3)n[nH]2)cc1 ZINC001473623629 1074054152 /nfs/dbraw/zinc/05/41/52/1074054152.db2.gz UJZWAUMNZQUAAY-GOSISDBHSA-N 1 0 385.462 3.896 20 30 GHEDRO CCCN(C)CC(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001473665922 1074074020 /nfs/dbraw/zinc/07/40/20/1074074020.db2.gz FVSPHAKCLAAVOL-OAHLLOKOSA-N 1 0 390.597 3.783 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC001473684453 1074085051 /nfs/dbraw/zinc/08/50/51/1074085051.db2.gz BFSDRMRZRNOUTK-CVEARBPZSA-N 1 0 392.459 3.828 20 30 GHEDRO CC1(C)[C@H](c2cccc(Cl)c2)CC[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001473769979 1074132874 /nfs/dbraw/zinc/13/28/74/1074132874.db2.gz REQVHDSQAPMKMH-KRWDZBQOSA-N 1 0 381.867 3.728 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC001473771054 1074134224 /nfs/dbraw/zinc/13/42/24/1074134224.db2.gz SJEHIKSHHOJXIK-HXUWFJFHSA-N 1 0 380.488 3.739 20 30 GHEDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC001473897887 1074194975 /nfs/dbraw/zinc/19/49/75/1074194975.db2.gz RQMBOAQJUIMTAI-KRWDZBQOSA-N 1 0 375.538 3.574 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2(CO)CCCC2)cc1OCC ZINC001474039186 1074244981 /nfs/dbraw/zinc/24/49/81/1074244981.db2.gz OBLRJPPJQFKMSC-UHFFFAOYSA-N 1 0 384.314 3.807 20 30 GHEDRO C=CCCOCC[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474101513 1074264163 /nfs/dbraw/zinc/26/41/63/1074264163.db2.gz BOMMNBIOBOUHKG-KRWDZBQOSA-N 1 0 378.513 3.520 20 30 GHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC001474473431 1074422707 /nfs/dbraw/zinc/42/27/07/1074422707.db2.gz QMMLGUYQGJNJIS-JKSUJKDBSA-N 1 0 393.494 3.804 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001474519863 1074446523 /nfs/dbraw/zinc/44/65/23/1074446523.db2.gz WLRGGANBPNJBTG-UHFFFAOYSA-N 1 0 398.551 3.847 20 30 GHEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c1 ZINC001474656711 1074502682 /nfs/dbraw/zinc/50/26/82/1074502682.db2.gz MWHJGBQHXMINIM-SFHVURJKSA-N 1 0 376.504 3.842 20 30 GHEDRO C#Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)cc1 ZINC001474700405 1074524330 /nfs/dbraw/zinc/52/43/30/1074524330.db2.gz WJSXCYBXTRJLKQ-IAGOWNOFSA-N 1 0 382.426 3.803 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001493909658 1079307490 /nfs/dbraw/zinc/30/74/90/1079307490.db2.gz QXTZBVZFMCFHGF-RTBURBONSA-N 1 0 392.551 3.927 20 30 GHEDRO CC1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCCC2(C)C)CC1 ZINC001494075372 1079321054 /nfs/dbraw/zinc/32/10/54/1079321054.db2.gz ZOAWGYJXUONRCX-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC001476243879 1075109357 /nfs/dbraw/zinc/10/93/57/1075109357.db2.gz ZUDZYSYAYLSRBG-UHFFFAOYSA-N 1 0 375.394 3.848 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1C#N ZINC001476314106 1075123204 /nfs/dbraw/zinc/12/32/04/1075123204.db2.gz URCIUVZTORVRDM-KRWDZBQOSA-N 1 0 399.495 3.655 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1 ZINC001496125767 1079457448 /nfs/dbraw/zinc/45/74/48/1079457448.db2.gz ZUDBCKHSJPEJMM-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001496665207 1079477612 /nfs/dbraw/zinc/47/76/12/1079477612.db2.gz OEEVYSVKWZZWLH-GHTZIAJQSA-N 1 0 390.551 3.744 20 30 GHEDRO CC[C@@H](Cn1c(C)nnc1N(CCC#N)CC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC001497182425 1079485952 /nfs/dbraw/zinc/48/59/52/1079485952.db2.gz NIPNKUCAEUSJQG-QFIPXVFZSA-N 1 0 392.551 3.554 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000359896092 209199878 /nfs/dbraw/zinc/19/98/78/209199878.db2.gz HUGPWBCHSWXDLP-KSSFIOAISA-N 1 0 390.409 3.718 20 30 GHEDRO C=CC[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)s1 ZINC000735418809 598376251 /nfs/dbraw/zinc/37/62/51/598376251.db2.gz JJXQVQJWZNMDCA-UHFFFAOYSA-N 1 0 375.885 3.649 20 30 GHEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820121615 606485394 /nfs/dbraw/zinc/48/53/94/606485394.db2.gz SBCLGLOJEGOMPD-UHFFFAOYSA-N 1 0 398.417 3.750 20 30 GHEDRO C=CCC[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1 ZINC000823893870 608537153 /nfs/dbraw/zinc/53/71/53/608537153.db2.gz AIANDSKZPNQMQV-INIZCTEOSA-N 1 0 382.493 3.554 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164389614 718814593 /nfs/dbraw/zinc/81/45/93/718814593.db2.gz WXQNUUVIUMFYQE-CYBMUJFWSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1c(Cl)ccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695664 719889089 /nfs/dbraw/zinc/88/90/89/719889089.db2.gz PSWOKIVQJHJONM-UHFFFAOYSA-N 1 0 388.924 3.540 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Cl)c3C#N)C[C@@H]21 ZINC001165028435 721806045 /nfs/dbraw/zinc/80/60/45/721806045.db2.gz ZBQJAYHKGYVGDA-MOXGXCLJSA-N 1 0 381.911 3.739 20 30 GHEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000472597116 837399590 /nfs/dbraw/zinc/39/95/90/837399590.db2.gz BDDRQBWICBAMGV-YLJYHZDGSA-N 1 0 379.508 3.877 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000176718148 837512645 /nfs/dbraw/zinc/51/26/45/837512645.db2.gz BCDMFWSGJWSIEP-MBSDFSHPSA-N 1 0 391.515 3.937 20 30 GHEDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000471392791 837516541 /nfs/dbraw/zinc/51/65/41/837516541.db2.gz XIQLHVUZFXJQAE-UHFFFAOYSA-N 1 0 386.417 3.622 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000049794997 837702836 /nfs/dbraw/zinc/70/28/36/837702836.db2.gz CRECKHCONOZDTE-JOCHJYFZSA-N 1 0 378.520 3.653 20 30 GHEDRO CN(C(=O)Nc1ccc(C#N)c(F)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000581832379 837713687 /nfs/dbraw/zinc/71/36/87/837713687.db2.gz HAEGPXRMYZDELP-UHFFFAOYSA-N 1 0 382.439 3.840 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC(F)F)cc1 ZINC000176714331 837721842 /nfs/dbraw/zinc/72/18/42/837721842.db2.gz MRTQEWNVDKXYCR-XHDPSFHLSA-N 1 0 377.416 3.677 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000581929011 837764876 /nfs/dbraw/zinc/76/48/76/837764876.db2.gz TWHFAKPMDYDYMS-OAQYLSRUSA-N 1 0 376.504 3.849 20 30 GHEDRO C(=[NH+]/OCc1nnc(-c2ccccc2)s1)\c1ccc(N2CCOCC2)cc1 ZINC000127780746 834531583 /nfs/dbraw/zinc/53/15/83/834531583.db2.gz UYHCZQMJYQSXAF-KGENOOAVSA-N 1 0 380.473 3.592 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000329220818 834575961 /nfs/dbraw/zinc/57/59/61/834575961.db2.gz BPIKDWNFUXXYMR-BQTBQCLESA-N 1 0 378.517 3.657 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000583548448 834627598 /nfs/dbraw/zinc/62/75/98/834627598.db2.gz SVGAVRDTVVWWSJ-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccccc2)cc1OC ZINC000480372085 834632050 /nfs/dbraw/zinc/63/20/50/834632050.db2.gz XCURWFUTXQQQLB-OAQYLSRUSA-N 1 0 375.472 3.988 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1nccn1CC)C(C)C ZINC000430177082 834783861 /nfs/dbraw/zinc/78/38/61/834783861.db2.gz HBWBFBXGRANVHD-UXHICEINSA-N 1 0 387.572 3.838 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000128133400 834787158 /nfs/dbraw/zinc/78/71/58/834787158.db2.gz JBEPNFVATBMTCT-UHFFFAOYSA-N 1 0 391.515 3.668 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179067 834801131 /nfs/dbraw/zinc/80/11/31/834801131.db2.gz NJIORGBZTVCFGM-OAQYLSRUSA-N 1 0 378.520 3.565 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1OCCCC#N ZINC000278362975 834820772 /nfs/dbraw/zinc/82/07/72/834820772.db2.gz JTMJYIVTZAPZCS-QAPCUYQASA-N 1 0 386.414 3.513 20 30 GHEDRO CCOc1cc(C[NH2+]Cc2ccc(CC#N)cc2)cc(Br)c1O ZINC000583694378 834889175 /nfs/dbraw/zinc/88/91/75/834889175.db2.gz ZKPVJYUWYZXFND-UHFFFAOYSA-N 1 0 375.266 3.909 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000728190010 834954944 /nfs/dbraw/zinc/95/49/44/834954944.db2.gz YLJDROOMHUABGW-QHCPKHFHSA-N 1 0 394.563 3.688 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1 ZINC000262825612 834961844 /nfs/dbraw/zinc/96/18/44/834961844.db2.gz QHVKLMTYNWCDOL-LSDHHAIUSA-N 1 0 390.281 3.749 20 30 GHEDRO CC[C@@H]1CCC[C@H]([NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)N[C@@H]2CCCC[C@H]2C)C1 ZINC000262356393 835118077 /nfs/dbraw/zinc/11/80/77/835118077.db2.gz GAVLTXNKPQMZMM-SWBPCFCJSA-N 1 0 397.629 3.504 20 30 GHEDRO COc1cc(CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)ccc1C#N ZINC000583845171 835126419 /nfs/dbraw/zinc/12/64/19/835126419.db2.gz ZYUTYYOHKAVSMN-NRFANRHFSA-N 1 0 394.519 3.523 20 30 GHEDRO CCOc1ccc(C(=O)C(C(=S)NCCSC)[n+]2ccc(C)cc2)cc1 ZINC000131321859 835183881 /nfs/dbraw/zinc/18/38/81/835183881.db2.gz BJNROIRCYAKBIP-UHFFFAOYSA-O 1 0 389.566 3.573 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](C[C@H]3COC4(CCCCC4)O3)C2)CC1 ZINC001208635988 835271070 /nfs/dbraw/zinc/27/10/70/835271070.db2.gz ILXRWLXSOFSNIC-IBGZPJMESA-N 1 0 392.540 3.563 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000154174749 835280723 /nfs/dbraw/zinc/28/07/23/835280723.db2.gz HXWOPNNAVTYEIJ-KRWDZBQOSA-N 1 0 383.442 3.821 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(OC)c1 ZINC000247984024 835363529 /nfs/dbraw/zinc/36/35/29/835363529.db2.gz IRKHJCRBOXOSRI-TZIWHRDSSA-N 1 0 382.504 3.704 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCn2ccc3ccccc32)c(-c2ccncc2)n1 ZINC000278559197 835392944 /nfs/dbraw/zinc/39/29/44/835392944.db2.gz CHUHPECOGQIVKR-UHFFFAOYSA-N 1 0 384.487 3.993 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658121615 835447635 /nfs/dbraw/zinc/44/76/35/835447635.db2.gz PDEQZCHOJZJWQZ-QGZVFWFLSA-N 1 0 385.552 3.714 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584022687 835459006 /nfs/dbraw/zinc/45/90/06/835459006.db2.gz BNZJBMGETAAZNW-VQTJNVASSA-N 1 0 390.487 3.553 20 30 GHEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000254972704 835468032 /nfs/dbraw/zinc/46/80/32/835468032.db2.gz URKBFPRABHOFMC-PXFSWQRTSA-N 1 0 391.471 3.539 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3Cl)CC2)cc1 ZINC000023451366 835491079 /nfs/dbraw/zinc/49/10/79/835491079.db2.gz PUPDGDWAISZOPQ-UHFFFAOYSA-N 1 0 381.907 3.879 20 30 GHEDRO N#Cc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612107424 835499361 /nfs/dbraw/zinc/49/93/61/835499361.db2.gz DZNNRPYTKMOXFH-DNVJHFABSA-N 1 0 388.515 3.658 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000255693561 835581993 /nfs/dbraw/zinc/58/19/93/835581993.db2.gz RUTGQYYCTOBNSQ-UCMDFWOYSA-N 1 0 395.434 3.795 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167085607 835698366 /nfs/dbraw/zinc/69/83/66/835698366.db2.gz SFPCKKDQWYZJLU-UHFFFAOYSA-N 1 0 376.769 3.944 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccccc2)cc1C ZINC000134218658 835707045 /nfs/dbraw/zinc/70/70/45/835707045.db2.gz SIAFEMZLFNHUEH-IBGZPJMESA-O 1 0 383.537 3.688 20 30 GHEDRO N#Cc1cc(C(F)(F)n2c3ccc(F)cc3c3c2CC[NH2+]C3)cc(Cl)n1 ZINC001167087188 835765124 /nfs/dbraw/zinc/76/51/24/835765124.db2.gz MLWFOFUAYZKBLH-UHFFFAOYSA-N 1 0 376.769 3.944 20 30 GHEDRO CSc1nc(C(F)F)cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000584262351 835822110 /nfs/dbraw/zinc/82/21/10/835822110.db2.gz XEKBDGTXAIKXRN-UHFFFAOYSA-N 1 0 389.475 3.720 20 30 GHEDRO N#Cc1ccc(CSCC(=O)OCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000120616102 835875476 /nfs/dbraw/zinc/87/54/76/835875476.db2.gz GPFHZRUUMTVYFR-UHFFFAOYSA-N 1 0 384.501 3.840 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000584333994 835890854 /nfs/dbraw/zinc/89/08/54/835890854.db2.gz SLGRKNKHKSHXBJ-QFBILLFUSA-N 1 0 392.459 3.527 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000179692169 835941993 /nfs/dbraw/zinc/94/19/93/835941993.db2.gz HFNRJXRKRFLGEV-KRWDZBQOSA-N 1 0 386.455 3.822 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000179702295 835950656 /nfs/dbraw/zinc/95/06/56/835950656.db2.gz VIBPPVNOMTXBEG-FCHUYYIVSA-N 1 0 397.567 3.668 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1cccc(C#N)c1 ZINC000134775540 835959882 /nfs/dbraw/zinc/95/98/82/835959882.db2.gz FRAAHTDFOVKYJR-ROUUACIJSA-N 1 0 376.504 3.514 20 30 GHEDRO C#CCCCCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000179746813 835965511 /nfs/dbraw/zinc/96/55/11/835965511.db2.gz VHEUPJZECWTSEV-UHFFFAOYSA-N 1 0 389.543 3.819 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@](C)(C#N)C2)ccc1OC ZINC000612303448 836025075 /nfs/dbraw/zinc/02/50/75/836025075.db2.gz PQIDIASZJUHKDK-OAQYLSRUSA-N 1 0 388.512 3.573 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000177152876 836073437 /nfs/dbraw/zinc/07/34/37/836073437.db2.gz WBTPAVGQXWWXGI-SFHVURJKSA-N 1 0 395.484 3.777 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000547758379 836093147 /nfs/dbraw/zinc/09/31/47/836093147.db2.gz XMKMIBRBLGJYAF-UHFFFAOYSA-N 1 0 377.444 3.926 20 30 GHEDRO CN(c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1)C1CC[NH+](C)CC1 ZINC000188545447 836233363 /nfs/dbraw/zinc/23/33/63/836233363.db2.gz NXXKQRRLWOEZIK-UHFFFAOYSA-N 1 0 388.515 3.759 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1cccc(Cl)c1 ZINC000065930550 836253941 /nfs/dbraw/zinc/25/39/41/836253941.db2.gz CMUUJRHCERTLFV-UHFFFAOYSA-N 1 0 385.895 3.571 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)ccc1Cl ZINC000613388594 836256205 /nfs/dbraw/zinc/25/62/05/836256205.db2.gz BLMKOOMXKLRSGX-UWJYYQICSA-N 1 0 399.922 3.649 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000613383745 836263272 /nfs/dbraw/zinc/26/32/72/836263272.db2.gz GXHJITCPWWETMS-FGZHOGPDSA-N 1 0 381.516 3.871 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 ZINC000548932269 836279166 /nfs/dbraw/zinc/27/91/66/836279166.db2.gz YBHAYZSQDZQINE-GFCCVEGCSA-N 1 0 383.300 3.990 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000613426207 836356041 /nfs/dbraw/zinc/35/60/41/836356041.db2.gz SZHILOKONRZJQC-VQTJNVASSA-N 1 0 378.520 3.546 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000613429741 836377652 /nfs/dbraw/zinc/37/76/52/836377652.db2.gz RVKUOYLGILEUGD-PMACEKPBSA-N 1 0 378.520 3.546 20 30 GHEDRO COCC[NH+]1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000175443791 836511884 /nfs/dbraw/zinc/51/18/84/836511884.db2.gz AUYVROYGOODGPC-UHFFFAOYSA-N 1 0 395.528 3.550 20 30 GHEDRO Cc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1NC(=O)c1ccccc1F ZINC000328650225 836545062 /nfs/dbraw/zinc/54/50/62/836545062.db2.gz IZYXTRCQDVPWMP-MRXNPFEDSA-N 1 0 381.451 3.691 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000579887263 836547149 /nfs/dbraw/zinc/54/71/49/836547149.db2.gz VWTGQNMDTOCPGO-JKSUJKDBSA-N 1 0 394.475 3.915 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000175510008 836586926 /nfs/dbraw/zinc/58/69/26/836586926.db2.gz JLRFNFJZOBCZSI-OXQOHEQNSA-N 1 0 380.467 3.550 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000043306988 836594037 /nfs/dbraw/zinc/59/40/37/836594037.db2.gz DEGDUKLMTFFPBZ-JOCHJYFZSA-N 1 0 392.503 3.545 20 30 GHEDRO N#Cc1ccc(OC2CCN(c3nccc(C4CC[NH2+]CC4)n3)CC2)cc1Cl ZINC001167152589 836668847 /nfs/dbraw/zinc/66/88/47/836668847.db2.gz LUGMRLYEVYHJAM-UHFFFAOYSA-N 1 0 397.910 3.516 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCCC1 ZINC000612749135 836698347 /nfs/dbraw/zinc/69/83/47/836698347.db2.gz WGEMYXZNXJZBOW-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCC2)cc1 ZINC000175527725 836862834 /nfs/dbraw/zinc/86/28/34/836862834.db2.gz ORBIQSIXCIIRQV-NRFANRHFSA-N 1 0 395.528 3.878 20 30 GHEDRO CCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000180050291 836920961 /nfs/dbraw/zinc/92/09/61/836920961.db2.gz YAHSTXJAEDFOOI-UHFFFAOYSA-N 1 0 376.460 3.656 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(OC)c(OC)c1 ZINC000510246178 836954150 /nfs/dbraw/zinc/95/41/50/836954150.db2.gz WMXCUKQEIRAPQU-MRXNPFEDSA-N 1 0 387.505 3.933 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180290548 836997291 /nfs/dbraw/zinc/99/72/91/836997291.db2.gz CWYIKHCUZPAQMA-SFHVURJKSA-N 1 0 393.441 3.605 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cc(CC#N)ccn1 ZINC000610792916 844236070 /nfs/dbraw/zinc/23/60/70/844236070.db2.gz VSQVXLZEGTYBTR-QGZVFWFLSA-N 1 0 378.476 3.653 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC[C@H]2CCCO2)c1 ZINC000028781971 837151224 /nfs/dbraw/zinc/15/12/24/837151224.db2.gz NZGIRZIVTDFRKM-QGZVFWFLSA-O 1 0 389.928 3.643 20 30 GHEDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351475 837168874 /nfs/dbraw/zinc/16/88/74/837168874.db2.gz ALBVZLJTJGIVAF-QVKFZJNVSA-N 1 0 378.451 3.700 20 30 GHEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000180349963 837168976 /nfs/dbraw/zinc/16/89/76/837168976.db2.gz DVBOOWZKDIKEOL-MRXNPFEDSA-N 1 0 398.470 3.902 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000610272126 837330007 /nfs/dbraw/zinc/33/00/07/837330007.db2.gz ACCPURIBEGYKEN-YMPZKCBVSA-N 1 0 389.499 3.616 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1)c1cccc(Cl)c1 ZINC000613179170 837371650 /nfs/dbraw/zinc/37/16/50/837371650.db2.gz OKBMRXZJSGNWRT-SFHVURJKSA-N 1 0 382.895 3.546 20 30 GHEDRO CC(C)CCO[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000177386715 837933332 /nfs/dbraw/zinc/93/33/32/837933332.db2.gz TUBKOICCWBMRJC-FXAWDEMLSA-N 1 0 375.488 3.598 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000377852477 838062083 /nfs/dbraw/zinc/06/20/83/838062083.db2.gz QQXAPPFXZNMLGH-HSZRJFAPSA-N 1 0 382.479 3.935 20 30 GHEDRO N#Cc1ccc(C2(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)CC2)cc1 ZINC000189146117 838205321 /nfs/dbraw/zinc/20/53/21/838205321.db2.gz HLANCLBBEGJULR-UHFFFAOYSA-N 1 0 377.513 3.777 20 30 GHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000584545104 838210519 /nfs/dbraw/zinc/21/05/19/838210519.db2.gz MESDKWVMVIYVHI-QGZVFWFLSA-N 1 0 385.533 3.654 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000178816613 844305270 /nfs/dbraw/zinc/30/52/70/844305270.db2.gz DUUUNUXDUOUGAI-NELJVSICSA-N 1 0 397.482 3.854 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000121074465 838276732 /nfs/dbraw/zinc/27/67/32/838276732.db2.gz GLDWFGREHHUOHY-KRWDZBQOSA-N 1 0 397.441 3.580 20 30 GHEDRO N#Cc1ccc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000129065971 844313957 /nfs/dbraw/zinc/31/39/57/844313957.db2.gz RFBVYWMWULVMNC-UHFFFAOYSA-N 1 0 397.526 3.930 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182013239 838315137 /nfs/dbraw/zinc/31/51/37/838315137.db2.gz KNQZWBTUCUIJOF-MWTRTKDXSA-N 1 0 395.478 3.864 20 30 GHEDRO COc1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1OCCC(C)C ZINC000123314357 838501388 /nfs/dbraw/zinc/50/13/88/838501388.db2.gz WCXMBBXRTPCIQP-UHFFFAOYSA-N 1 0 378.476 3.929 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000610346519 838582931 /nfs/dbraw/zinc/58/29/31/838582931.db2.gz VYBSCAFONDIEJN-HOTGVXAUSA-N 1 0 385.895 3.788 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000152043917 838657799 /nfs/dbraw/zinc/65/77/99/838657799.db2.gz KLBFZPIVOLFZSW-KDURUIRLSA-N 1 0 397.567 3.510 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)C2)n1 ZINC000328695324 838674442 /nfs/dbraw/zinc/67/44/42/838674442.db2.gz GICCZRHNORDBLP-ZCNNSNEGSA-N 1 0 398.551 3.871 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NCC(F)(F)F)cc1 ZINC000170637242 838695570 /nfs/dbraw/zinc/69/55/70/838695570.db2.gz HEEHYEQCYYNIDM-UHFFFAOYSA-O 1 0 393.454 3.862 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)[C@@H](C)O1 ZINC000446074619 838797378 /nfs/dbraw/zinc/79/73/78/838797378.db2.gz SUQPBNGBAAOOMF-QLFBSQMISA-N 1 0 375.538 3.715 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3C#N)C2)CC1 ZINC000120215839 838805381 /nfs/dbraw/zinc/80/53/81/838805381.db2.gz JGNZOMBGRDSKNN-KRWDZBQOSA-N 1 0 388.943 3.594 20 30 GHEDRO Cn1cc(C[N@H+](Cc2cccc(Br)c2)C2CCOCC2)cc1C#N ZINC000483337721 844376961 /nfs/dbraw/zinc/37/69/61/844376961.db2.gz KDFMPQWESVNGDE-UHFFFAOYSA-N 1 0 388.309 3.840 20 30 GHEDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC23CCOCC3)cn1 ZINC000580156712 838980190 /nfs/dbraw/zinc/98/01/90/838980190.db2.gz UGZQQLHNEWCYKY-OAQYLSRUSA-N 1 0 378.520 3.617 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C2 ZINC000579474314 839001440 /nfs/dbraw/zinc/00/14/40/839001440.db2.gz QUTGQZZNUQSHNI-DOPJRALCSA-N 1 0 389.425 3.741 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000610400163 839057087 /nfs/dbraw/zinc/05/70/87/839057087.db2.gz FYFHHKWSGBWKGA-LAUBAEHRSA-N 1 0 392.503 3.764 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2c(c1)OCO2 ZINC000182259668 839120405 /nfs/dbraw/zinc/12/04/05/839120405.db2.gz MCHAJCCFHWKYLL-ZDUSSCGKSA-N 1 0 397.500 3.907 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000416399476 839147243 /nfs/dbraw/zinc/14/72/43/839147243.db2.gz OVNGEORUGBXMMT-PMACEKPBSA-N 1 0 378.476 3.665 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000415075332 839162760 /nfs/dbraw/zinc/16/27/60/839162760.db2.gz BKJWOQKCHZSAFT-RHSMWYFYSA-N 1 0 380.448 3.621 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000415090192 839182395 /nfs/dbraw/zinc/18/23/95/839182395.db2.gz XOXGJLNUKFSKTD-INIZCTEOSA-N 1 0 394.475 3.952 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415115313 839224953 /nfs/dbraw/zinc/22/49/53/839224953.db2.gz DNFYFMLJTDYLJD-APWZRJJASA-N 1 0 378.476 3.708 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000415162416 839305953 /nfs/dbraw/zinc/30/59/53/839305953.db2.gz NXRMNFRECNVPBD-ZIAGYGMSSA-N 1 0 382.489 3.535 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000415167603 839319108 /nfs/dbraw/zinc/31/91/08/839319108.db2.gz TZJDREUHWFYJFS-DNVCBOLYSA-N 1 0 380.517 3.947 20 30 GHEDRO CN1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000378599614 839404733 /nfs/dbraw/zinc/40/47/33/839404733.db2.gz XGJRJNRDYPFPPW-SJORKVTESA-N 1 0 378.879 3.560 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](c1ccc(OC)nc1)C1CC1 ZINC000626180500 839481840 /nfs/dbraw/zinc/48/18/40/839481840.db2.gz SGOOAWWMPODEAA-MGPUTAFESA-N 1 0 385.533 3.796 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000580485157 839659405 /nfs/dbraw/zinc/65/94/05/839659405.db2.gz RJJLFXOXABHALP-IAGOWNOFSA-N 1 0 376.508 3.598 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000580501878 839701307 /nfs/dbraw/zinc/70/13/07/839701307.db2.gz SWNYXZCBSHTMBZ-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)n1 ZINC000891295064 839743735 /nfs/dbraw/zinc/74/37/35/839743735.db2.gz VCUZKSJQHJWFSW-FCHUYYIVSA-N 1 0 397.482 3.511 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460572503 839835019 /nfs/dbraw/zinc/83/50/19/839835019.db2.gz JENSNPPQCOHHSA-CTNGQTDRSA-N 1 0 397.567 3.738 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c1O ZINC000066795692 839862292 /nfs/dbraw/zinc/86/22/92/839862292.db2.gz JHLNMYSDHXJJGI-UHFFFAOYSA-N 1 0 398.503 3.815 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000471598696 839862228 /nfs/dbraw/zinc/86/22/28/839862228.db2.gz LWRCSHHCGFAPLZ-UHFFFAOYSA-N 1 0 381.520 3.915 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433488200 844488492 /nfs/dbraw/zinc/48/84/92/844488492.db2.gz UAPRHWGQHQDCOC-OFNKIYASSA-N 1 0 375.516 3.882 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1C#N ZINC000580686911 840006565 /nfs/dbraw/zinc/00/65/65/840006565.db2.gz VNHGXXOGGSCQSI-CTNGQTDRSA-N 1 0 384.524 3.577 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCC(=O)Nc1sccc1C#N ZINC000610451934 840013793 /nfs/dbraw/zinc/01/37/93/840013793.db2.gz OVBCTDDIVDQJCX-QGZVFWFLSA-N 1 0 382.533 3.545 20 30 GHEDRO N#CCCC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000580733251 840081225 /nfs/dbraw/zinc/08/12/25/840081225.db2.gz RIOUKAWWYZCRSK-FCHUYYIVSA-N 1 0 376.504 3.845 20 30 GHEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1 ZINC000185580183 840241362 /nfs/dbraw/zinc/24/13/62/840241362.db2.gz XYSGRUCQOMLXDJ-VQIMIIECSA-O 1 0 378.521 3.953 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000566724633 840291128 /nfs/dbraw/zinc/29/11/28/840291128.db2.gz ICGPCLUGGVFWJY-ZTFGCOKTSA-N 1 0 387.549 3.717 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cccc(SCC#N)c2)cc1 ZINC000500378161 840301081 /nfs/dbraw/zinc/30/10/81/840301081.db2.gz JAEQYXKWDHBABL-OAQYLSRUSA-N 1 0 395.528 3.878 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCO2)C(=S)N[C@H](C)CC ZINC000194971861 840382691 /nfs/dbraw/zinc/38/26/91/840382691.db2.gz XUYCDIMDAQLKRT-OAHLLOKOSA-O 1 0 383.537 3.798 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2C2CC2)c1 ZINC000580957681 840525358 /nfs/dbraw/zinc/52/53/58/840525358.db2.gz JXVVLWXNRLTYST-NQIIRXRSSA-N 1 0 388.519 3.605 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511743922 840620941 /nfs/dbraw/zinc/62/09/41/840620941.db2.gz NYKJMAOZHWJEOW-JBRSBNLGSA-N 1 0 392.543 4.000 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(Cl)c1F ZINC000613750264 840647820 /nfs/dbraw/zinc/64/78/20/840647820.db2.gz MRKCFWGBIJVFTE-HNNXBMFYSA-N 1 0 376.859 3.810 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)NCC3CCC(C#N)CC3)CC[N@@H+]2C2CC2)c1 ZINC000581170091 840814291 /nfs/dbraw/zinc/81/42/91/840814291.db2.gz HOMDUESXASMITB-WUEBJWAZSA-N 1 0 396.535 3.602 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120588823 844579982 /nfs/dbraw/zinc/57/99/82/844579982.db2.gz GPQDCCJFHMKOGC-UHFFFAOYSA-N 1 0 379.489 3.704 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)c1cc(C#N)cn1C)c1cccc(C(F)(F)F)c1 ZINC000162420771 840864032 /nfs/dbraw/zinc/86/40/32/840864032.db2.gz ASIBMGUXLDCYAU-UHFFFAOYSA-N 1 0 392.425 3.904 20 30 GHEDRO Cc1nc2c(F)cccc2cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000573566844 844596705 /nfs/dbraw/zinc/59/67/05/844596705.db2.gz GCEJRWAMMWEOJJ-UHFFFAOYSA-N 1 0 390.462 3.758 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000584835180 841021840 /nfs/dbraw/zinc/02/18/40/841021840.db2.gz SNRXHMUQIGDIBZ-IEBWSBKVSA-N 1 0 388.920 3.911 20 30 GHEDRO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CNc2ccnn2C1 ZINC000684195676 841072894 /nfs/dbraw/zinc/07/28/94/841072894.db2.gz KPWOCLFOXNMAKL-ZDUSSCGKSA-N 1 0 379.277 3.515 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCc4sccc43)CC2)cc1 ZINC000136531664 841185248 /nfs/dbraw/zinc/18/52/48/841185248.db2.gz JENIEHACYNKZIT-HXUWFJFHSA-N 1 0 394.544 3.915 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)NCc1ccccc1)[n+]1ccccc1 ZINC000027199944 841345108 /nfs/dbraw/zinc/34/51/08/841345108.db2.gz QADSGKBHZXNKHC-UHFFFAOYSA-O 1 0 377.489 3.711 20 30 GHEDRO CSCc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000187409008 841359923 /nfs/dbraw/zinc/35/99/23/841359923.db2.gz IOABBEGNXJKCSP-UHFFFAOYSA-N 1 0 396.560 3.695 20 30 GHEDRO COc1cccc(C2(F)CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000500140011 841510526 /nfs/dbraw/zinc/51/05/26/841510526.db2.gz PQLJSNWHSQITOC-UHFFFAOYSA-N 1 0 381.451 3.856 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)CC1 ZINC000623579382 861219600 /nfs/dbraw/zinc/21/96/00/861219600.db2.gz ZSZUVVCVZGRLOG-UHFFFAOYSA-N 1 0 392.906 3.843 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](CCc2ccccc2)C(F)F)CC1 ZINC000623578935 861221089 /nfs/dbraw/zinc/22/10/89/861221089.db2.gz FPLVIMXVEPYDAC-LJQANCHMSA-N 1 0 379.495 3.935 20 30 GHEDRO O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662808356 841675823 /nfs/dbraw/zinc/67/58/23/841675823.db2.gz JURZXVAPCSCIJB-HNNXBMFYSA-N 1 0 398.322 3.534 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c1C ZINC000255325397 841712444 /nfs/dbraw/zinc/71/24/44/841712444.db2.gz LWDIRZZBURZDEW-GOSISDBHSA-N 1 0 381.476 3.518 20 30 GHEDRO N#Cc1cccnc1N1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000123296647 841726975 /nfs/dbraw/zinc/72/69/75/841726975.db2.gz GARKMVYNCPVGHY-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)c2)c1 ZINC000500246477 841727011 /nfs/dbraw/zinc/72/70/11/841727011.db2.gz VRWXTUTUCOGBAR-QHCPKHFHSA-N 1 0 390.458 3.970 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000126628842 841734992 /nfs/dbraw/zinc/73/49/92/841734992.db2.gz MMJOPQDKDHKPOI-QHCPKHFHSA-N 1 0 391.515 3.742 20 30 GHEDRO C=CCCC1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCCC1 ZINC000661439271 841758767 /nfs/dbraw/zinc/75/87/67/841758767.db2.gz BVJRYSCLGMWLRS-UHFFFAOYSA-N 1 0 377.573 3.703 20 30 GHEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000656690833 841815550 /nfs/dbraw/zinc/81/55/50/841815550.db2.gz MZHQHJIOJFIBRB-MRXNPFEDSA-N 1 0 380.945 3.578 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CC#N)C1)C1CCCCC1 ZINC000595084723 841837635 /nfs/dbraw/zinc/83/76/35/841837635.db2.gz IMTQKRSYHLGDDF-SFHVURJKSA-N 1 0 396.535 3.542 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328060 841846828 /nfs/dbraw/zinc/84/68/28/841846828.db2.gz AKQXXMUTIKEVHZ-KBPBESRZSA-N 1 0 398.320 3.674 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000584689254 841978329 /nfs/dbraw/zinc/97/83/29/841978329.db2.gz FSOFUHOHTYQVHJ-MRXNPFEDSA-N 1 0 397.548 3.669 20 30 GHEDRO N#CCC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595829889 841994591 /nfs/dbraw/zinc/99/45/91/841994591.db2.gz JICYRXGNPNXOMG-NRFANRHFSA-N 1 0 380.536 3.624 20 30 GHEDRO C=CCOc1ccc(CNC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)cc1 ZINC000481395253 861271521 /nfs/dbraw/zinc/27/15/21/861271521.db2.gz ZKIVAGJSTDAMDW-UHFFFAOYSA-N 1 0 394.519 3.715 20 30 GHEDRO N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1F ZINC000585747068 842239654 /nfs/dbraw/zinc/23/96/54/842239654.db2.gz KXHGXVZAORFQGL-SYYKKAFVSA-N 1 0 377.463 3.728 20 30 GHEDRO CC[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)Oc1cccc(C(F)(F)F)c1 ZINC000432374642 842247306 /nfs/dbraw/zinc/24/73/06/842247306.db2.gz SXGLFVSOMJCNLP-WMZOPIPTSA-N 1 0 391.393 3.551 20 30 GHEDRO COC1CCN(C2(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)CCCC2)CC1 ZINC000730817760 861300925 /nfs/dbraw/zinc/30/09/25/861300925.db2.gz UPRAELUMFOXCRZ-UHFFFAOYSA-N 1 0 384.568 3.550 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000329339820 861301626 /nfs/dbraw/zinc/30/16/26/861301626.db2.gz RFBXQOVRAFUXOB-ARDNKUOLSA-N 1 0 391.600 3.959 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(Br)cc1C#N ZINC001126190724 842584795 /nfs/dbraw/zinc/58/47/95/842584795.db2.gz HLVCRZGFMFAZRL-OAHLLOKOSA-N 1 0 398.304 3.667 20 30 GHEDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)cn1 ZINC000093870441 842814133 /nfs/dbraw/zinc/81/41/33/842814133.db2.gz RMGBADSAKLSVJG-OAQYLSRUSA-N 1 0 386.499 3.935 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cnc1N1CCCC[C@H]1C ZINC000329377845 861350217 /nfs/dbraw/zinc/35/02/17/861350217.db2.gz MEXMVLNGBSJJPA-RTBURBONSA-N 1 0 385.556 3.732 20 30 GHEDRO O=C(CCNC(=O)c1ccsc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000328926627 842887353 /nfs/dbraw/zinc/88/73/53/842887353.db2.gz WOGAPDJYRMIPEV-UHFFFAOYSA-N 1 0 377.554 3.557 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CO[C@H]1CCCc2ccccc21 ZINC000430716278 842890028 /nfs/dbraw/zinc/89/00/28/842890028.db2.gz SBYHRTZOKRXFON-QHCPKHFHSA-N 1 0 391.515 3.543 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000150782563 842900790 /nfs/dbraw/zinc/90/07/90/842900790.db2.gz PCFRCZAVNMOYID-LJQANCHMSA-N 1 0 393.487 3.821 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3csc(Br)c3)CC2)nc1 ZINC000067010995 843020199 /nfs/dbraw/zinc/02/01/99/843020199.db2.gz MRXLKIJPIFLBPX-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1O ZINC000279380531 843030783 /nfs/dbraw/zinc/03/07/83/843030783.db2.gz KDAGPWFZPQCHOW-UHFFFAOYSA-N 1 0 375.476 3.977 20 30 GHEDRO C=C(C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(CO)o1 ZINC000512224861 843150081 /nfs/dbraw/zinc/15/00/81/843150081.db2.gz DDWLGIOIZNNIAW-UHFFFAOYSA-N 1 0 399.516 3.601 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000510673245 843167081 /nfs/dbraw/zinc/16/70/81/843167081.db2.gz ACRGNBGJFYDTOK-LPHOPBHVSA-N 1 0 378.476 3.914 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC([NH+](C)C)CC2)cc1OCC ZINC000091669824 843334803 /nfs/dbraw/zinc/33/48/03/843334803.db2.gz VRTAWKSBVCIQEJ-UHFFFAOYSA-N 1 0 397.357 3.939 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC000599608474 861406172 /nfs/dbraw/zinc/40/61/72/861406172.db2.gz WJGNDXNDZOWCJX-ZYHUDNBSSA-N 1 0 394.319 3.568 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@H](c2ccc(CC)cc2)c2cccnc2)CC1 ZINC000112640864 843356307 /nfs/dbraw/zinc/35/63/07/843356307.db2.gz HCZWFKJVIIJWES-XMMPIXPASA-N 1 0 389.543 3.927 20 30 GHEDRO CC(C)(C)c1csc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000178569351 843376995 /nfs/dbraw/zinc/37/69/95/843376995.db2.gz LVACYDNDBXXJAN-UHFFFAOYSA-N 1 0 386.443 3.944 20 30 GHEDRO C[C@H]1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@@H](C)C[NH2+]1 ZINC000662513531 843377984 /nfs/dbraw/zinc/37/79/84/843377984.db2.gz AFTVZKOGDRPFRB-UWVGGRQHSA-N 1 0 386.311 3.798 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000068966946 843443436 /nfs/dbraw/zinc/44/34/36/843443436.db2.gz NKJWNPBWRWFJRG-NRFANRHFSA-N 1 0 390.531 3.530 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000510769297 843451233 /nfs/dbraw/zinc/45/12/33/843451233.db2.gz VMYXGKLLJLOQSO-KGLIPLIRSA-N 1 0 398.429 3.741 20 30 GHEDRO C#CCOc1ccc(NC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000731042401 861427117 /nfs/dbraw/zinc/42/71/17/861427117.db2.gz NMMOCIXUYWGHEC-UHFFFAOYSA-N 1 0 392.503 3.793 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1 ZINC000603885031 843571922 /nfs/dbraw/zinc/57/19/22/843571922.db2.gz WGONZOAMPIFQDF-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418759802 843611771 /nfs/dbraw/zinc/61/17/71/843611771.db2.gz DVILLKDBDWSSFJ-MRXNPFEDSA-N 1 0 398.320 3.818 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCOc2ccc(Br)cc2)cc1 ZINC000105461846 843633443 /nfs/dbraw/zinc/63/34/43/843633443.db2.gz LYWBGDGVKOEGTI-CQSZACIVSA-N 1 0 375.266 3.909 20 30 GHEDRO COc1cc2c(c(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)c1)O[C@@H](C)C2 ZINC000509126757 861453529 /nfs/dbraw/zinc/45/35/29/861453529.db2.gz SIPXHAXUVYVPOC-KRWDZBQOSA-N 1 0 377.488 3.603 20 30 GHEDRO C=CCOc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1OC ZINC000512433221 843778218 /nfs/dbraw/zinc/77/82/18/843778218.db2.gz KIKVZUXZNUMBDX-LJQANCHMSA-N 1 0 399.466 3.795 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)ccc1Cl ZINC000512439899 843808822 /nfs/dbraw/zinc/80/88/22/843808822.db2.gz YCMUSDMZQUMGGQ-QZTJIDSGSA-N 1 0 391.943 3.911 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000237206066 843918762 /nfs/dbraw/zinc/91/87/62/843918762.db2.gz NVLLZWRMNFUVRU-UHFFFAOYSA-N 1 0 390.531 3.952 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000731111136 861473355 /nfs/dbraw/zinc/47/33/55/861473355.db2.gz KCMUIQOXPXPQSR-HXUWFJFHSA-N 1 0 377.488 3.732 20 30 GHEDRO CC(CN1CCc2c(CC#N)cccc2C1)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676362 861473607 /nfs/dbraw/zinc/47/36/07/861473607.db2.gz BRQWKCGWZRYXFB-UHFFFAOYSA-N 1 0 398.554 3.871 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000731113345 861474515 /nfs/dbraw/zinc/47/45/15/861474515.db2.gz RTLXXMKEXFXKOI-UHFFFAOYSA-N 1 0 377.488 3.793 20 30 GHEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000329460641 861476741 /nfs/dbraw/zinc/47/67/41/861476741.db2.gz PHGVPLZGWXZJFA-OAHLLOKOSA-N 1 0 394.585 3.761 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(CC)CC ZINC000433315245 844001886 /nfs/dbraw/zinc/00/18/86/844001886.db2.gz BADQJCRHHCAMRK-UXHICEINSA-N 1 0 381.524 3.932 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000599661276 861492224 /nfs/dbraw/zinc/49/22/24/861492224.db2.gz SIXLPVBDRBPCHN-INIZCTEOSA-N 1 0 382.508 3.679 20 30 GHEDRO CC(C)(C#N)c1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000614160565 844796788 /nfs/dbraw/zinc/79/67/88/844796788.db2.gz FKVWYQCJWGPAFL-UHFFFAOYSA-N 1 0 383.458 3.574 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000512629504 844834059 /nfs/dbraw/zinc/83/40/59/844834059.db2.gz JBBPCIHATBWCKZ-CABCVRRESA-N 1 0 381.451 3.767 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000512633189 844839672 /nfs/dbraw/zinc/83/96/72/844839672.db2.gz LOIDGJTXBRQHHW-QPJJXVBHSA-N 1 0 390.443 3.830 20 30 GHEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000731211165 861505524 /nfs/dbraw/zinc/50/55/24/861505524.db2.gz AOBVIJNYSQPKJY-RTBURBONSA-N 1 0 377.271 3.986 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000151145550 844987338 /nfs/dbraw/zinc/98/73/38/844987338.db2.gz UVMJSOWEEQQCGB-RTBURBONSA-N 1 0 383.442 3.530 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000433042395 845047230 /nfs/dbraw/zinc/04/72/30/845047230.db2.gz XRJUDOXQBSADCN-NFBKMPQASA-N 1 0 390.531 3.654 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(CO)(c3ccccc3)CC2)cc1Cl ZINC000433043280 845065269 /nfs/dbraw/zinc/06/52/69/845065269.db2.gz DAKUEJLAHIFVNO-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329492777 861537422 /nfs/dbraw/zinc/53/74/22/861537422.db2.gz ZTXGYZWWMRCJOD-MRXNPFEDSA-N 1 0 379.508 3.907 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000329496275 861540437 /nfs/dbraw/zinc/54/04/37/861540437.db2.gz DTMOFAYRCHSICN-KHSAKVFQSA-N 1 0 385.552 3.579 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000673738318 861546446 /nfs/dbraw/zinc/54/64/46/861546446.db2.gz ZMQYIIZPJGHUNZ-UHFFFAOYSA-N 1 0 396.535 3.774 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000119482989 845396288 /nfs/dbraw/zinc/39/62/88/845396288.db2.gz RCCCBEIDKRBMKU-FGZHOGPDSA-N 1 0 389.499 3.694 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)CC1 ZINC000664017208 845412995 /nfs/dbraw/zinc/41/29/95/845412995.db2.gz VXVWQPFJMPHSFZ-NRFANRHFSA-N 1 0 385.552 3.806 20 30 GHEDRO CC[NH+](CC)CCN1c2ccccc2C(=NNc2cccc3cnccc32)C1=O ZINC000728432626 845434405 /nfs/dbraw/zinc/43/44/05/845434405.db2.gz ZPZZMXCGLJDCLY-UHFFFAOYSA-N 1 0 387.487 3.739 20 30 GHEDRO COC(=O)c1ccccc1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806140 845587787 /nfs/dbraw/zinc/58/77/87/845587787.db2.gz RCYVWUFDMYKGPW-UHFFFAOYSA-N 1 0 382.435 3.570 20 30 GHEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261796106 845611586 /nfs/dbraw/zinc/61/15/86/845611586.db2.gz OWVLPXHMHXMGNP-NRFANRHFSA-N 1 0 387.478 3.724 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000513531826 845628357 /nfs/dbraw/zinc/62/83/57/845628357.db2.gz YRTBTBUOHXTFQL-UHFFFAOYSA-N 1 0 397.519 3.524 20 30 GHEDRO N#CC[C@@H](O)C[NH2+][C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001168741730 861617476 /nfs/dbraw/zinc/61/74/76/861617476.db2.gz QDLJPRHQQYJRHK-SJLPKXTDSA-N 1 0 382.357 3.829 20 30 GHEDRO Cc1nc2ccccc2n1CCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000329544165 861628974 /nfs/dbraw/zinc/62/89/74/861628974.db2.gz YRGYBEMUXQOBQL-UHFFFAOYSA-N 1 0 397.567 3.642 20 30 GHEDRO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000511052636 846012408 /nfs/dbraw/zinc/01/24/08/846012408.db2.gz YSUBMWGWVDGKCL-VFNWGFHPSA-N 1 0 383.442 3.548 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000458366599 846138066 /nfs/dbraw/zinc/13/80/66/846138066.db2.gz LLLICJBHUAQOTN-UHFFFAOYSA-N 1 0 386.540 3.668 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000604032802 861645505 /nfs/dbraw/zinc/64/55/05/861645505.db2.gz PFLWNTDIJAZHHC-GOSISDBHSA-N 1 0 397.544 3.552 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)cc1F ZINC000421363511 846175536 /nfs/dbraw/zinc/17/55/36/846175536.db2.gz LTRFQISBUYPCMV-HNNXBMFYSA-N 1 0 382.357 3.537 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)cc1F ZINC000421379989 846192285 /nfs/dbraw/zinc/19/22/85/846192285.db2.gz IYFONXJGBOXTIN-CQSZACIVSA-N 1 0 395.247 3.540 20 30 GHEDRO COc1ccc(OC(F)F)c(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000513689937 846333549 /nfs/dbraw/zinc/33/35/49/846333549.db2.gz GOUMAOKXKIJPBQ-UHFFFAOYSA-N 1 0 387.430 3.927 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000119854338 846404989 /nfs/dbraw/zinc/40/49/89/846404989.db2.gz IJAIMJFLOJNGIG-UHFFFAOYSA-N 1 0 379.508 3.533 20 30 GHEDRO CC[N@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119865580 846424162 /nfs/dbraw/zinc/42/41/62/846424162.db2.gz NNCLHBGQWQGVBY-KRWDZBQOSA-N 1 0 382.508 3.906 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccccc2-n2cccn2)c(C#N)c1C ZINC000183166656 846441595 /nfs/dbraw/zinc/44/15/95/846441595.db2.gz CWBHZYLQMUMNDB-AWEZNQCLSA-N 1 0 379.489 3.712 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2cccc(C)c2)cc1 ZINC000280577030 846443481 /nfs/dbraw/zinc/44/34/81/846443481.db2.gz MEYOPJDVWADDCP-FQEVSTJZSA-O 1 0 397.564 3.942 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCOc4c(Br)cccc43)n2c1 ZINC000367048194 846487517 /nfs/dbraw/zinc/48/75/17/846487517.db2.gz RTUSMRALJGIDIN-MRXNPFEDSA-N 1 0 383.249 3.582 20 30 GHEDRO CCN(CC)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000237002188 846501934 /nfs/dbraw/zinc/50/19/34/846501934.db2.gz YDOMWDFUCDBFSF-INIZCTEOSA-N 1 0 387.528 3.759 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[NH+](C)C)c1 ZINC000419402719 846524480 /nfs/dbraw/zinc/52/44/80/846524480.db2.gz PDBZCDZEKIMJIX-FCHUYYIVSA-N 1 0 392.503 3.546 20 30 GHEDRO Cc1noc([C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)n1 ZINC000329041101 846529966 /nfs/dbraw/zinc/52/99/66/846529966.db2.gz OJNATUZPFQSXGH-OCCSQVGLSA-N 1 0 399.520 3.904 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000419430007 846539811 /nfs/dbraw/zinc/53/98/11/846539811.db2.gz BJXNRNSAVOXVIK-JOCHJYFZSA-N 1 0 376.504 3.887 20 30 GHEDRO Cc1cc(Cl)ccc1CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000511088973 846559063 /nfs/dbraw/zinc/55/90/63/846559063.db2.gz JACCVUBRAQJXLD-UHFFFAOYSA-N 1 0 375.944 3.867 20 30 GHEDRO CC[N@H+](CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CCC(F)(F)F ZINC000419488502 846606133 /nfs/dbraw/zinc/60/61/33/846606133.db2.gz COAZIKFYQLYNFE-QGZVFWFLSA-N 1 0 382.430 3.509 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](OC(F)F)C3)sc2C1 ZINC000611580678 846610634 /nfs/dbraw/zinc/61/06/34/846610634.db2.gz ZOWZEZNQCURWOS-QWHCGFSZSA-N 1 0 397.491 3.777 20 30 GHEDRO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)CC(=O)Nc1ccccc1 ZINC000503046197 846750475 /nfs/dbraw/zinc/75/04/75/846750475.db2.gz ZFHWYSSVZFEFAZ-QGZVFWFLSA-N 1 0 375.476 3.835 20 30 GHEDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000501244630 846755345 /nfs/dbraw/zinc/75/53/45/846755345.db2.gz VUUHILVKAYGZTA-GOSISDBHSA-N 1 0 381.524 3.541 20 30 GHEDRO COc1cc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c(F)cc1C#N ZINC000599818288 861721645 /nfs/dbraw/zinc/72/16/45/861721645.db2.gz WAVUCFWMLKLYOI-AWEZNQCLSA-N 1 0 384.455 3.957 20 30 GHEDRO CC(C)CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000120067025 846868901 /nfs/dbraw/zinc/86/89/01/846868901.db2.gz CTZKFLVTJCQMGP-HNNXBMFYSA-N 1 0 375.538 3.574 20 30 GHEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000271733536 846906155 /nfs/dbraw/zinc/90/61/55/846906155.db2.gz NTUMJYVURAAYMV-HJPURHCSSA-N 1 0 377.488 3.821 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1CCC#N ZINC000272015759 846970673 /nfs/dbraw/zinc/97/06/73/846970673.db2.gz BLBYIEZXGRAYSD-XLIONFOSSA-N 1 0 394.523 3.622 20 30 GHEDRO C[NH+]=C(NCCc1nc(C)c(C)s1)NCc1cc(F)ccc1Br ZINC000261818800 847104651 /nfs/dbraw/zinc/10/46/51/847104651.db2.gz UFMASAUNBUVWTA-UHFFFAOYSA-N 1 0 399.333 3.569 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000272933619 847211629 /nfs/dbraw/zinc/21/16/29/847211629.db2.gz KHUXNGYFRRLQDF-WJSCTFBISA-N 1 0 397.544 3.718 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000582449847 847272167 /nfs/dbraw/zinc/27/21/67/847272167.db2.gz UFKUUDIWCAERKJ-YLJYHZDGSA-N 1 0 389.455 3.836 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)[C@H]2CCCN(c3ncnc4sccc43)C2)CC1 ZINC000329614006 861777038 /nfs/dbraw/zinc/77/70/38/861777038.db2.gz PALVOWQQQWMUQH-INIZCTEOSA-N 1 0 385.537 3.516 20 30 GHEDRO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273402939 847328271 /nfs/dbraw/zinc/32/82/71/847328271.db2.gz HFADBZAULSEUOJ-FGZHOGPDSA-N 1 0 395.478 3.924 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(C#N)s2)c2cccs2)CC1 ZINC000420775014 847421911 /nfs/dbraw/zinc/42/19/11/847421911.db2.gz SZMIAVJCLUQXJF-QGZVFWFLSA-N 1 0 388.562 3.954 20 30 GHEDRO C=C(C)[C@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481581779 861791353 /nfs/dbraw/zinc/79/13/53/861791353.db2.gz XYKRWKQIMNXBDV-FQEVSTJZSA-N 1 0 387.430 3.588 20 30 GHEDRO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCc2ccccc2C1 ZINC000513784497 847482732 /nfs/dbraw/zinc/48/27/32/847482732.db2.gz SLWBUAIEVWJVTN-OAQYLSRUSA-N 1 0 382.529 3.601 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)s1 ZINC000420855496 847490370 /nfs/dbraw/zinc/49/03/70/847490370.db2.gz CAQCYLNCGOJQTQ-IBGZPJMESA-N 1 0 382.533 3.720 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420917617 847538040 /nfs/dbraw/zinc/53/80/40/847538040.db2.gz SYLQDSOLTDHRTL-ZEQRLZLVSA-N 1 0 375.516 3.791 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502164536 847544569 /nfs/dbraw/zinc/54/45/69/847544569.db2.gz QGEBWLVLDYJPIH-QRVBRYPASA-N 1 0 380.536 3.723 20 30 GHEDRO C#CCC(CC#C)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000277705452 847653084 /nfs/dbraw/zinc/65/30/84/847653084.db2.gz OPGLTWKCSMZJKI-UHFFFAOYSA-N 1 0 390.449 3.791 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502275237 847679301 /nfs/dbraw/zinc/67/93/01/847679301.db2.gz JYHVXEZAHNRFMJ-SFHVURJKSA-N 1 0 380.536 3.867 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000582587953 847703329 /nfs/dbraw/zinc/70/33/29/847703329.db2.gz LNGGGAFNDJKJFT-IBGZPJMESA-N 1 0 375.561 3.652 20 30 GHEDRO Cc1cc(C)nc(-n2cc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c(C(C)C)n2)n1 ZINC000329629591 861823510 /nfs/dbraw/zinc/82/35/10/861823510.db2.gz QKISOIHXXCUQJR-AYHJJNSGSA-N 1 0 396.539 3.722 20 30 GHEDRO CC(C)(C#N)CCCC[NH+]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000375721440 847796983 /nfs/dbraw/zinc/79/69/83/847796983.db2.gz VNUHNFOAWRHHOZ-JOCHJYFZSA-N 1 0 396.579 3.515 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1)C1CC1 ZINC000503658355 847865757 /nfs/dbraw/zinc/86/57/57/847865757.db2.gz ICSQADIVVIOPLE-IBGZPJMESA-N 1 0 379.426 3.726 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1 ZINC000048809194 847912116 /nfs/dbraw/zinc/91/21/16/847912116.db2.gz GOGKBBMSMSYTRL-GOSISDBHSA-N 1 0 376.504 3.932 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001167594791 847945393 /nfs/dbraw/zinc/94/53/93/847945393.db2.gz SNLMILMOLUIBCM-OZWNJILTSA-N 1 0 396.579 3.512 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc(OC)c1O ZINC000092783961 847965506 /nfs/dbraw/zinc/96/55/06/847965506.db2.gz SWMWZPCXRYSMRF-GOSISDBHSA-N 1 0 394.515 3.771 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1OC ZINC000092784043 847972487 /nfs/dbraw/zinc/97/24/87/847972487.db2.gz UDFOWYSOXGFUQL-HXUWFJFHSA-N 1 0 394.515 3.902 20 30 GHEDRO C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481620805 861873844 /nfs/dbraw/zinc/87/38/44/861873844.db2.gz GEIVMZKAGFBOGF-OAHLLOKOSA-N 1 0 393.422 3.683 20 30 GHEDRO COc1cc2cccnc2c(N(c2cncc(F)c2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001167615926 848364685 /nfs/dbraw/zinc/36/46/85/848364685.db2.gz PYEJTTKUEPCCAA-AWEZNQCLSA-N 1 0 379.439 3.915 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+](Cc3ccncc3)CC2)cc1Br ZINC000582855766 848569093 /nfs/dbraw/zinc/56/90/93/848569093.db2.gz BJDUQRGWJJAYJP-UHFFFAOYSA-N 1 0 389.272 3.931 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000582885705 848627316 /nfs/dbraw/zinc/62/73/16/848627316.db2.gz OUOAPMXOEMZCKK-GAJHUEQPSA-N 1 0 398.526 3.619 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1Cl ZINC000237819288 848675545 /nfs/dbraw/zinc/67/55/45/848675545.db2.gz MUDSYGZEJXPVFE-UHFFFAOYSA-N 1 0 386.879 3.810 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329660620 861965847 /nfs/dbraw/zinc/96/58/47/861965847.db2.gz IIXFWGKEYLOSJD-CXQPBAHBSA-N 1 0 385.556 3.691 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000583060600 848989205 /nfs/dbraw/zinc/98/92/05/848989205.db2.gz MVZUCKYFWXECBS-ATIQYGATSA-N 1 0 392.503 3.696 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000153822909 849039303 /nfs/dbraw/zinc/03/93/03/849039303.db2.gz YIERRHTZTNZGTN-HKUYNNGSSA-N 1 0 395.503 3.611 20 30 GHEDRO Cn1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C2CCCCC2)n1 ZINC000583088626 849040112 /nfs/dbraw/zinc/04/01/12/849040112.db2.gz ORMBWGATKPIOAK-UHFFFAOYSA-N 1 0 379.552 3.903 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1cccc(OC)c1 ZINC000481662620 861986675 /nfs/dbraw/zinc/98/66/75/861986675.db2.gz XUUUQCJNGONLNE-FQEVSTJZSA-N 1 0 384.455 3.911 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000481680215 862001230 /nfs/dbraw/zinc/00/12/30/862001230.db2.gz XZRDCNHPOZUBPM-GOSISDBHSA-N 1 0 379.426 3.859 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000583230980 849381404 /nfs/dbraw/zinc/38/14/04/849381404.db2.gz GZFRSWINSYPEGT-QUCCMNQESA-N 1 0 397.567 3.772 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000481699924 862060814 /nfs/dbraw/zinc/06/08/14/862060814.db2.gz YIIYRHVBCAMBED-UXHICEINSA-N 1 0 377.573 3.796 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)C2CC2)cc1 ZINC000505552598 849842184 /nfs/dbraw/zinc/84/21/84/849842184.db2.gz BJVGNLHFSXACLJ-LAUBAEHRSA-N 1 0 380.488 3.607 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000434868389 849855551 /nfs/dbraw/zinc/85/55/51/849855551.db2.gz LHSQTUASRQDKBB-PBHICJAKSA-N 1 0 399.516 3.873 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2c(C#N)cccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000425235602 849858128 /nfs/dbraw/zinc/85/81/28/849858128.db2.gz ZISAVEBEOJZBMM-MRXNPFEDSA-N 1 0 380.448 3.778 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc1 ZINC000513808524 849916743 /nfs/dbraw/zinc/91/67/43/849916743.db2.gz VBNZYBYSYJMBOW-UHFFFAOYSA-N 1 0 387.487 3.720 20 30 GHEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000518788381 850126862 /nfs/dbraw/zinc/12/68/62/850126862.db2.gz PLTOVGBBIQUONO-WMZOPIPTSA-N 1 0 378.398 3.547 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000604362070 862094308 /nfs/dbraw/zinc/09/43/08/862094308.db2.gz FWJINPAAZPTDTN-IAGOWNOFSA-N 1 0 393.491 3.987 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000424082102 850193353 /nfs/dbraw/zinc/19/33/53/850193353.db2.gz VTVAAPVLDINORI-LBPRGKRZSA-N 1 0 379.283 3.532 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000424132427 850258324 /nfs/dbraw/zinc/25/83/24/850258324.db2.gz XVYUHUPKQLNUKK-KRWDZBQOSA-N 1 0 392.341 3.788 20 30 GHEDRO C[C@H](O)[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1F ZINC000569610515 850264390 /nfs/dbraw/zinc/26/43/90/850264390.db2.gz LHOIVWBCUBUHHQ-HRAATJIYSA-N 1 0 378.451 3.815 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000425310790 850268992 /nfs/dbraw/zinc/26/89/92/850268992.db2.gz YDQGVRODIHQQAE-HXUWFJFHSA-N 1 0 379.460 3.622 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc(Br)c1OC(F)F ZINC000424193672 850283811 /nfs/dbraw/zinc/28/38/11/850283811.db2.gz KTEZWNFRSFUHMH-GXSJLCMTSA-N 1 0 375.213 3.841 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000522589818 862113486 /nfs/dbraw/zinc/11/34/86/862113486.db2.gz OUMBYERGWFTGSR-ROUUACIJSA-N 1 0 395.503 3.828 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000518903748 850326870 /nfs/dbraw/zinc/32/68/70/850326870.db2.gz SGCQJYXFASHHFB-IRXDYDNUSA-N 1 0 378.476 3.738 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000424325465 850363443 /nfs/dbraw/zinc/36/34/43/850363443.db2.gz KYPIGQRFMGAYNJ-NJZAAPMLSA-N 1 0 382.245 3.787 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000514851906 850385886 /nfs/dbraw/zinc/38/58/86/850385886.db2.gz LJZNLPGJQLWJEB-LJQANCHMSA-N 1 0 384.455 3.909 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000174559542 850424838 /nfs/dbraw/zinc/42/48/38/850424838.db2.gz NZBSHPPBBTWCGG-UHFFFAOYSA-N 1 0 380.429 3.759 20 30 GHEDRO CCCc1c(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000487237133 850605336 /nfs/dbraw/zinc/60/53/36/850605336.db2.gz XDOCSJFSDYNWGH-NRFANRHFSA-N 1 0 394.523 3.500 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000027669059 850635482 /nfs/dbraw/zinc/63/54/82/850635482.db2.gz XAYDKVCIAJITDC-HSZRJFAPSA-N 1 0 391.515 3.843 20 30 GHEDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000174679454 850682200 /nfs/dbraw/zinc/68/22/00/850682200.db2.gz KYAFDUSCJOZLDY-IBGZPJMESA-N 1 0 382.895 3.751 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000435671872 850759209 /nfs/dbraw/zinc/75/92/09/850759209.db2.gz GGMHJWRMTZFXFH-BWAGFHJFSA-N 1 0 380.488 3.946 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000505258137 850764576 /nfs/dbraw/zinc/76/45/76/850764576.db2.gz RFIZRCNRKBQVEM-FQEVSTJZSA-N 1 0 397.588 3.512 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(C)(C)C ZINC000522608424 862172405 /nfs/dbraw/zinc/17/24/05/862172405.db2.gz YYKWOCZQXYKVOO-NRFANRHFSA-N 1 0 378.520 3.969 20 30 GHEDRO C[C@H](Cc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000513851981 850952254 /nfs/dbraw/zinc/95/22/54/850952254.db2.gz AODWYUSHYFNFBK-QGZVFWFLSA-N 1 0 383.923 3.981 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434358026 851030116 /nfs/dbraw/zinc/03/01/16/851030116.db2.gz NWXLUMSICUITLA-VEDCXYSMSA-N 1 0 396.535 3.564 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180509679 862200397 /nfs/dbraw/zinc/20/03/97/862200397.db2.gz XBORLIINSVCHCU-RBUKOAKNSA-N 1 0 395.906 3.649 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000435996825 851061443 /nfs/dbraw/zinc/06/14/43/851061443.db2.gz RAGJOFADDKILRF-SMDDNHRTSA-N 1 0 390.306 3.838 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000425438843 851099544 /nfs/dbraw/zinc/09/95/44/851099544.db2.gz DRPFZYUMYJHOFE-KNQAVFIVSA-N 1 0 390.531 3.825 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000506830203 851100866 /nfs/dbraw/zinc/10/08/66/851100866.db2.gz LFMBWVJXYZVGNY-UHFFFAOYSA-N 1 0 399.560 3.768 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000604475280 862217666 /nfs/dbraw/zinc/21/76/66/862217666.db2.gz YKAMWLVDGRTKNS-QGZVFWFLSA-N 1 0 379.464 3.597 20 30 GHEDRO CCC1CCC([N@H+](CCO)CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000488167486 851221111 /nfs/dbraw/zinc/22/11/11/851221111.db2.gz GIODOPIDIXRBFY-UHFFFAOYSA-N 1 0 385.552 3.813 20 30 GHEDRO [NH2+]=C(NC[C@H]1CCCO[C@H]1c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000262020159 851243258 /nfs/dbraw/zinc/24/32/58/851243258.db2.gz XQOPMOQWVBBJKW-UTKZUKDTSA-N 1 0 381.476 3.742 20 30 GHEDRO CC[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000514096175 851259935 /nfs/dbraw/zinc/25/99/35/851259935.db2.gz URUWXUABVPQCRZ-XMMPIXPASA-N 1 0 388.559 3.954 20 30 GHEDRO CC(C)c1ccccc1OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000604482489 862225388 /nfs/dbraw/zinc/22/53/88/862225388.db2.gz OATQJQPUBZFHLQ-UHFFFAOYSA-N 1 0 379.504 3.651 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246638702 851304891 /nfs/dbraw/zinc/30/48/91/851304891.db2.gz GPACELPTDFDJPO-CNNODRBYSA-N 1 0 391.515 3.837 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1)C(=O)NC1(C#N)CCC1 ZINC000434626446 851383910 /nfs/dbraw/zinc/38/39/10/851383910.db2.gz IFYVLYWYQQJHGW-ROUUACIJSA-N 1 0 377.488 3.867 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520726 862241726 /nfs/dbraw/zinc/24/17/26/862241726.db2.gz IHZVCTKVVSHQAA-OFNKIYASSA-N 1 0 377.488 3.987 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000329727508 862242122 /nfs/dbraw/zinc/24/21/22/862242122.db2.gz CJSRLRYKXADJIO-QRWLVFNGSA-N 1 0 382.508 3.697 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000505460993 851439724 /nfs/dbraw/zinc/43/97/24/851439724.db2.gz HNNUUGPBSXKDKH-OAHLLOKOSA-N 1 0 392.341 3.816 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000515782911 851473896 /nfs/dbraw/zinc/47/38/96/851473896.db2.gz WYFATCBSIRABDU-ZDUSSCGKSA-N 1 0 391.313 3.659 20 30 GHEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000120014924 851486985 /nfs/dbraw/zinc/48/69/85/851486985.db2.gz KQJOAPDFUAOOKP-CYBMUJFWSA-N 1 0 390.940 3.890 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000425538772 851566731 /nfs/dbraw/zinc/56/67/31/851566731.db2.gz MCUWSGZUWNHTKB-SVMVAKDDSA-N 1 0 376.504 3.924 20 30 GHEDRO CCn1nccc1C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000434747631 851615822 /nfs/dbraw/zinc/61/58/22/851615822.db2.gz MIJMPXRPVTZIBR-UHFFFAOYSA-N 1 0 385.899 3.636 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000111491262 851708728 /nfs/dbraw/zinc/70/87/28/851708728.db2.gz MTJLDDGJEVHKRZ-NRFANRHFSA-N 1 0 393.531 3.615 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@H](c2ccccc2F)C1 ZINC000550212318 851962684 /nfs/dbraw/zinc/96/26/84/851962684.db2.gz YTGUPNDPFQDVMQ-MSOLQXFVSA-N 1 0 395.478 3.959 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329789844 862324237 /nfs/dbraw/zinc/32/42/37/862324237.db2.gz CJMLTKMGJQKUIB-WTTBNOFXSA-N 1 0 377.554 3.871 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000473816739 852153519 /nfs/dbraw/zinc/15/35/19/852153519.db2.gz HTECRSNHSFBNAW-UHFFFAOYSA-N 1 0 382.508 3.684 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505868652 852227549 /nfs/dbraw/zinc/22/75/49/852227549.db2.gz IKDVQVJQOBEZBB-OALUTQOASA-N 1 0 395.478 3.862 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C)nn1-c1cc(C)ccn1)C(C)C ZINC000489364016 852254573 /nfs/dbraw/zinc/25/45/73/852254573.db2.gz IHPOLDQKXHIXTP-IBGZPJMESA-N 1 0 396.539 3.704 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000489357841 852266616 /nfs/dbraw/zinc/26/66/16/852266616.db2.gz PTYONPFOSMKAHU-JOCHJYFZSA-N 1 0 377.488 3.549 20 30 GHEDRO C=CCn1cc(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)nn1 ZINC000425620799 852267303 /nfs/dbraw/zinc/26/73/03/852267303.db2.gz JWJDVONASFEBQT-UHFFFAOYSA-N 1 0 382.512 3.550 20 30 GHEDRO CC(=O)Nc1ccc(CCNC(NCCc2ccccc2)=[NH+]C(C)(C)C)cc1 ZINC000912507144 852312211 /nfs/dbraw/zinc/31/22/11/852312211.db2.gz VSBALJAOIJDVJA-UHFFFAOYSA-N 1 0 380.536 3.764 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000438460134 852438185 /nfs/dbraw/zinc/43/81/85/852438185.db2.gz ZRUITXNWMDOPRD-LEWJYISDSA-N 1 0 377.573 3.511 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](COc3ccccc3)C2)sc2c1CCC2 ZINC000505896334 852469573 /nfs/dbraw/zinc/46/95/73/852469573.db2.gz QOEMLXIFZBVZQA-MRXNPFEDSA-N 1 0 395.528 3.838 20 30 GHEDRO CC(C)(C)OC1CC(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000489733032 852557160 /nfs/dbraw/zinc/55/71/60/852557160.db2.gz YXZAGSKZPIKEHM-UHFFFAOYSA-N 1 0 383.536 3.645 20 30 GHEDRO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507213541 852676478 /nfs/dbraw/zinc/67/64/78/852676478.db2.gz UFCXARPAXIONCR-JOCHJYFZSA-N 1 0 382.548 3.800 20 30 GHEDRO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000489946722 852690988 /nfs/dbraw/zinc/69/09/88/852690988.db2.gz MWBOVLMETYERPR-IFMALSPDSA-N 1 0 379.479 3.981 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000517997786 852715398 /nfs/dbraw/zinc/71/53/98/852715398.db2.gz PEKBFXTYVRKDMD-UHFFFAOYSA-N 1 0 383.458 3.978 20 30 GHEDRO C=CCCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000507255797 852728613 /nfs/dbraw/zinc/72/86/13/852728613.db2.gz GMXFFVXMCRCAQE-NRFANRHFSA-N 1 0 382.548 3.778 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC(=C)C)Cc1ccccc1 ZINC000669032816 852763087 /nfs/dbraw/zinc/76/30/87/852763087.db2.gz XFXIVWREJFXHDK-RTWAWAEBSA-N 1 0 393.535 3.583 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000669032700 852765203 /nfs/dbraw/zinc/76/52/03/852765203.db2.gz SKMQLMHGINADRV-YRPNKDGESA-N 1 0 399.583 3.652 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490096164 852768877 /nfs/dbraw/zinc/76/88/77/852768877.db2.gz UBCMDOOEJSOYED-SFHVURJKSA-N 1 0 392.503 3.935 20 30 GHEDRO Cc1nc(SCC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(C#N)c(C)c1C ZINC000518044354 852780229 /nfs/dbraw/zinc/78/02/29/852780229.db2.gz BZZVEJYNVDFLRP-IBGZPJMESA-N 1 0 388.581 3.597 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000490202110 852809940 /nfs/dbraw/zinc/80/99/40/852809940.db2.gz NHTBLQYRTJBXAU-ITKAJJHTSA-N 1 0 377.479 3.954 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427241571 852885500 /nfs/dbraw/zinc/88/55/00/852885500.db2.gz JQXKOVJWTYARFY-UHFFFAOYSA-N 1 0 398.514 3.935 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1N(C)C ZINC000507426003 852904066 /nfs/dbraw/zinc/90/40/66/852904066.db2.gz HDCPZRHACLGAFH-YWZLYKJASA-N 1 0 380.467 3.610 20 30 GHEDRO N#Cc1cccc(-c2noc([C@H](c3ccc4ccccc4c3)N3CC[NH2+]CC3)n2)c1 ZINC001211845656 852920806 /nfs/dbraw/zinc/92/08/06/852920806.db2.gz RWWAYOQITFPXTD-QFIPXVFZSA-N 1 0 395.466 3.756 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@H]([NH3+])C2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000415226278 852967255 /nfs/dbraw/zinc/96/72/55/852967255.db2.gz VPLMGTIILZBPGJ-AWEZNQCLSA-N 1 0 390.365 3.934 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000516817646 853034459 /nfs/dbraw/zinc/03/44/59/853034459.db2.gz GPDFSUWFSKYNAU-LJQANCHMSA-N 1 0 376.508 3.560 20 30 GHEDRO C=CCC1(C(=O)N2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)CCOCC1 ZINC000913086072 853058446 /nfs/dbraw/zinc/05/84/46/853058446.db2.gz YYGROAKKJPDFNF-DHIUTWEWSA-N 1 0 382.548 3.730 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000516855045 853071344 /nfs/dbraw/zinc/07/13/44/853071344.db2.gz NYSQTEZWSILQCG-ZHALLVOQSA-N 1 0 376.460 3.860 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1C#N ZINC000516880886 853112317 /nfs/dbraw/zinc/11/23/17/853112317.db2.gz CEZBMLQMVGSUTE-MGPUTAFESA-N 1 0 381.451 3.548 20 30 GHEDRO C=CC[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255827 853123387 /nfs/dbraw/zinc/12/33/87/853123387.db2.gz SRJKIHMIADRPJF-GOSISDBHSA-N 1 0 385.475 3.597 20 30 GHEDRO C=CCC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC1 ZINC000438990854 853167106 /nfs/dbraw/zinc/16/71/06/853167106.db2.gz KXVOXJGWPXPRDX-SFHVURJKSA-N 1 0 382.595 3.800 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000437504090 853186815 /nfs/dbraw/zinc/18/68/15/853186815.db2.gz ZJTRMAPZPUNKLA-UUOWRZLLSA-N 1 0 395.547 3.505 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c(F)cccc3C#N)cc2)C1 ZINC000506464209 853193591 /nfs/dbraw/zinc/19/35/91/853193591.db2.gz AAJHIUIXVMMSGU-QGZVFWFLSA-N 1 0 379.479 3.788 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)c[nH]2)CC[N@@H+]1C ZINC000329946731 862447260 /nfs/dbraw/zinc/44/72/60/862447260.db2.gz JSYWDKCJSWFZRU-LSBZLQRGSA-N 1 0 385.487 3.749 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CC2CCCC2)c2ccccc2)nc1 ZINC000519635414 853336844 /nfs/dbraw/zinc/33/68/44/853336844.db2.gz MEZUZLZPIHXNKL-FQEVSTJZSA-N 1 0 383.517 3.638 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)CC1 ZINC000518496767 853429434 /nfs/dbraw/zinc/42/94/34/853429434.db2.gz COCWCYMXLAWBEY-UHFFFAOYSA-N 1 0 398.576 3.738 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057347 853429912 /nfs/dbraw/zinc/42/99/12/853429912.db2.gz LGAMCPFEGMLBBM-GGAORHGYSA-N 1 0 386.580 3.743 20 30 GHEDRO N#CCCN(C(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000491059914 853432518 /nfs/dbraw/zinc/43/25/18/853432518.db2.gz JVNLSODGLOURAN-OAQYLSRUSA-N 1 0 382.552 3.521 20 30 GHEDRO CC[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)[NH+](C)C ZINC000151436335 853442982 /nfs/dbraw/zinc/44/29/82/853442982.db2.gz ZBXSIDXUMJMARH-OAHLLOKOSA-N 1 0 396.438 3.903 20 30 GHEDRO CCOc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017517647 853481535 /nfs/dbraw/zinc/48/15/35/853481535.db2.gz YVLGKFUEIYXPRN-UHFFFAOYSA-N 1 0 394.544 3.862 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1C ZINC000491194957 853484993 /nfs/dbraw/zinc/48/49/93/853484993.db2.gz RMLBXXJFHQZNRL-UHFFFAOYSA-N 1 0 385.515 3.898 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000506126762 853516043 /nfs/dbraw/zinc/51/60/43/853516043.db2.gz WAHBEEBPDIDNKJ-INIZCTEOSA-N 1 0 385.393 3.999 20 30 GHEDRO C[C@]1(c2ccccc2)CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000586775186 853516899 /nfs/dbraw/zinc/51/68/99/853516899.db2.gz ITFZLJWNJNIDEN-UPVQGACJSA-N 1 0 378.516 3.936 20 30 GHEDRO CN1CC[C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000517264650 853594965 /nfs/dbraw/zinc/59/49/65/853594965.db2.gz NQEFXBWVXCTHEM-RBBKRZOGSA-N 1 0 396.922 3.622 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(O)c(OC)c1 ZINC000163918199 853627326 /nfs/dbraw/zinc/62/73/26/853627326.db2.gz BKACGEUJSRRECK-UHFFFAOYSA-N 1 0 398.478 3.617 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c1C#N ZINC000425928134 853643394 /nfs/dbraw/zinc/64/33/94/853643394.db2.gz LCVRNWJXGAEAEA-NYHFZMIOSA-N 1 0 386.540 3.513 20 30 GHEDRO Cc1nsc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000518715656 853691130 /nfs/dbraw/zinc/69/11/30/853691130.db2.gz HEKDQVXJEBCEDJ-IEBWSBKVSA-N 1 0 395.532 3.842 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)cc1 ZINC000517348355 853696626 /nfs/dbraw/zinc/69/66/26/853696626.db2.gz GUKUEPCSOCBZHW-IBGZPJMESA-N 1 0 376.460 3.917 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000437978250 853734900 /nfs/dbraw/zinc/73/49/00/853734900.db2.gz VAMDSVPWBRLQDL-KRWDZBQOSA-N 1 0 380.492 3.907 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC2(O)CCC2)cc1OCC ZINC000546255643 853888284 /nfs/dbraw/zinc/88/82/84/853888284.db2.gz RBNGFUPINYRNFN-UHFFFAOYSA-N 1 0 384.314 3.759 20 30 GHEDRO O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000330036768 862522506 /nfs/dbraw/zinc/52/25/06/862522506.db2.gz YNTJIGDZQARRKA-QHGAOEGBSA-N 1 0 384.524 3.918 20 30 GHEDRO N#Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000588001178 854065386 /nfs/dbraw/zinc/06/53/86/854065386.db2.gz ZJNVICZSVICPMV-UWJYYQICSA-N 1 0 391.475 3.540 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000157458094 854118568 /nfs/dbraw/zinc/11/85/68/854118568.db2.gz DKYFOAOACANSQS-PXNSSMCTSA-N 1 0 382.508 3.826 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588235894 854227485 /nfs/dbraw/zinc/22/74/85/854227485.db2.gz SOHHOVYESIZUDN-UZLBHIALSA-N 1 0 391.475 3.836 20 30 GHEDRO CCc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)nnn1-c1cccc(Cl)c1 ZINC000330060787 862544149 /nfs/dbraw/zinc/54/41/49/862544149.db2.gz NFVICADPRFBXBR-UHFFFAOYSA-N 1 0 387.915 3.805 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000588278876 854267336 /nfs/dbraw/zinc/26/73/36/854267336.db2.gz JHKYMQHQKMTMQD-HSZRJFAPSA-N 1 0 390.487 3.697 20 30 GHEDRO CCCCNC(=O)[C@@H]1CCCN(CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051058057 854378893 /nfs/dbraw/zinc/37/88/93/854378893.db2.gz DDBXGVJHBGWFGL-CQSZACIVSA-N 1 0 390.509 3.619 20 30 GHEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000184494289 854437469 /nfs/dbraw/zinc/43/74/69/854437469.db2.gz SFHYRKLQUIXRDR-OAHLLOKOSA-N 1 0 391.899 3.594 20 30 GHEDRO O=C(NCc1ccccc1)C1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000328601899 854502143 /nfs/dbraw/zinc/50/21/43/854502143.db2.gz GICGUDILIRMFDX-UHFFFAOYSA-N 1 0 398.551 3.644 20 30 GHEDRO Cc1ccc2c(c1)nc(CNC(=O)NC1CCC([NH+]3CCC(C)CC3)CC1)n2C ZINC000328694083 854512033 /nfs/dbraw/zinc/51/20/33/854512033.db2.gz JVXCUGOMONYKTB-UHFFFAOYSA-N 1 0 397.567 3.928 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000328732424 854540525 /nfs/dbraw/zinc/54/05/25/854540525.db2.gz JBMSSEQBRSGHFH-JHNDHUHGSA-N 1 0 377.554 3.871 20 30 GHEDRO C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1nc(-c2ccccc2)no1 ZINC000328812115 854545036 /nfs/dbraw/zinc/54/50/36/854545036.db2.gz BFQRFLVKBFSLEY-QGZVFWFLSA-N 1 0 397.523 3.704 20 30 GHEDRO O=C(Nc1ccccc1O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000328788926 854558295 /nfs/dbraw/zinc/55/82/95/854558295.db2.gz YAFIGAKYDSLCJH-LJQANCHMSA-N 1 0 385.508 3.626 20 30 GHEDRO CCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)C1 ZINC000328830795 854564526 /nfs/dbraw/zinc/56/45/26/854564526.db2.gz URBUQVZCKSNIFU-KRWDZBQOSA-N 1 0 393.491 3.978 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000328832746 854566619 /nfs/dbraw/zinc/56/66/19/854566619.db2.gz VQXPDBRTELPNCX-IPMKNSEASA-N 1 0 386.540 3.870 20 30 GHEDRO COc1cc(Br)cc(C)c1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328833792 854567298 /nfs/dbraw/zinc/56/72/98/854567298.db2.gz LSXVAVJTMPAMIW-KGLIPLIRSA-N 1 0 382.302 3.719 20 30 GHEDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000328846085 854573165 /nfs/dbraw/zinc/57/31/65/854573165.db2.gz VLDFOMMGRHNPBV-KGSLCBSSSA-N 1 0 386.536 3.736 20 30 GHEDRO CS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000328849147 854575371 /nfs/dbraw/zinc/57/53/71/854575371.db2.gz BEYXXTURUVOGPC-YLJYHZDGSA-N 1 0 391.581 3.837 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(N(C)C)nc2)CC1 ZINC000330112987 862583371 /nfs/dbraw/zinc/58/33/71/862583371.db2.gz RYOKIOHTFWSYFM-GOSISDBHSA-N 1 0 387.572 3.538 20 30 GHEDRO Cc1ccc([C@H](C)NC(=O)CN(C)CCOCc2ccc(C#N)cc2)cc1C ZINC000588978789 854625830 /nfs/dbraw/zinc/62/58/30/854625830.db2.gz FJPCPQLPFIJLBB-IBGZPJMESA-N 1 0 379.504 3.501 20 30 GHEDRO O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000328929139 854626086 /nfs/dbraw/zinc/62/60/86/854626086.db2.gz AAZUDUMUAPHOGQ-SFHVURJKSA-N 1 0 375.488 3.510 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1Cc2ccccc2C2(CC2)C1 ZINC000186238833 854777436 /nfs/dbraw/zinc/77/74/36/854777436.db2.gz UBWAMZWGOAWOOS-GOSISDBHSA-N 1 0 389.499 3.878 20 30 GHEDRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(C#N)cc1 ZINC000589325196 854791138 /nfs/dbraw/zinc/79/11/38/854791138.db2.gz VEGAOPIZPZAPBR-NMNUPHIUSA-N 1 0 388.515 3.783 20 30 GHEDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589310408 854803613 /nfs/dbraw/zinc/80/36/13/854803613.db2.gz KNJZFDMKUGRTNK-QGZVFWFLSA-N 1 0 378.394 3.723 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000589310662 854803651 /nfs/dbraw/zinc/80/36/51/854803651.db2.gz WNXJSYICBNDUSM-UHFFFAOYSA-N 1 0 375.394 3.703 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)C[C@H]1C ZINC000331108132 854806447 /nfs/dbraw/zinc/80/64/47/854806447.db2.gz HCHMUJCVNDSVJR-YPMHNXCESA-N 1 0 385.867 3.616 20 30 GHEDRO CCNC(=O)N(C)c1cccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000331212110 854826315 /nfs/dbraw/zinc/82/63/15/854826315.db2.gz ZJBDOYJDLUXAFK-UHFFFAOYSA-N 1 0 389.544 3.656 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)cc1 ZINC000482020846 862615396 /nfs/dbraw/zinc/61/53/96/862615396.db2.gz QJPGSOVZHZUSLJ-PKTZIBPZSA-N 1 0 392.499 3.968 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000176500877 862629682 /nfs/dbraw/zinc/62/96/82/862629682.db2.gz VLKDXIWMNRLCMS-UNMCSNQZSA-N 1 0 385.552 3.802 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](CC(C)C)C1 ZINC000669334771 855019722 /nfs/dbraw/zinc/01/97/22/855019722.db2.gz LASUPZZJHFRPDV-ZCNNSNEGSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CCC)Cc1ccccc1 ZINC000669336774 855062595 /nfs/dbraw/zinc/06/25/95/855062595.db2.gz TUJVAJXZAIRNTC-RTWAWAEBSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC(C)(C)c2ccccc21 ZINC000669336351 855071878 /nfs/dbraw/zinc/07/18/78/855071878.db2.gz ZRUZJUMWEIPASJ-XLIONFOSSA-N 1 0 393.535 3.819 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056829488 855085471 /nfs/dbraw/zinc/08/54/71/855085471.db2.gz ZXYLOWOYXSJRGQ-UHFFFAOYSA-N 1 0 395.469 3.819 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000057001927 855162928 /nfs/dbraw/zinc/16/29/28/855162928.db2.gz QVZHRLYHDZMOTH-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000130858330 855245117 /nfs/dbraw/zinc/24/51/17/855245117.db2.gz VOPNTBDDEYPVTB-REWPJTCUSA-N 1 0 380.488 3.728 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057154130 855253113 /nfs/dbraw/zinc/25/31/13/855253113.db2.gz GVHQIGFLEPTCNZ-IBGZPJMESA-N 1 0 392.503 3.845 20 30 GHEDRO CC(C)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[NH+]1CCC(C)CC1 ZINC000466600255 862659122 /nfs/dbraw/zinc/65/91/22/862659122.db2.gz WYJSUGGDKMPLDJ-SFHVURJKSA-N 1 0 387.528 3.642 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000459039049 855325623 /nfs/dbraw/zinc/32/56/23/855325623.db2.gz HRFNQAJNBHAMNQ-MSOLQXFVSA-N 1 0 399.457 3.512 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@H+](CCCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000482065735 862667701 /nfs/dbraw/zinc/66/77/01/862667701.db2.gz FCGOTIHRCQPCFJ-UHFFFAOYSA-N 1 0 375.516 3.634 20 30 GHEDRO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000273420828 855361264 /nfs/dbraw/zinc/36/12/64/855361264.db2.gz JUTOPYAIOXYWSZ-HKUYNNGSSA-N 1 0 385.439 3.698 20 30 GHEDRO C=CC(C)(C)CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000624125294 862672713 /nfs/dbraw/zinc/67/27/13/862672713.db2.gz ZBKQDDFMYWAWNJ-OAQYLSRUSA-N 1 0 399.579 3.817 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C2)CC1 ZINC000590376182 855385009 /nfs/dbraw/zinc/38/50/09/855385009.db2.gz VZKWSNDTONUZDE-UHFFFAOYSA-N 1 0 375.472 3.908 20 30 GHEDRO N#CC1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000590489184 855433380 /nfs/dbraw/zinc/43/33/80/855433380.db2.gz ABBXMALHKMTWEB-LEWJYISDSA-N 1 0 379.891 3.538 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2Cn2cncn2)ccc1OC ZINC000057961989 855476448 /nfs/dbraw/zinc/47/64/48/855476448.db2.gz XKBCBWCNZQZFCU-UHFFFAOYSA-N 1 0 378.476 3.580 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(Br)cn3)CC2)nc1 ZINC000507771165 855530429 /nfs/dbraw/zinc/53/04/29/855530429.db2.gz ZBKSYQKOFBKODW-UHFFFAOYSA-N 1 0 387.281 3.591 20 30 GHEDRO N#C[C@]1(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC12CCCC2 ZINC000590723597 855545759 /nfs/dbraw/zinc/54/57/59/855545759.db2.gz OODMDQPRMZOWLL-JCUDRXCFSA-N 1 0 377.532 3.877 20 30 GHEDRO CC(C)Oc1ccc2[nH+]ccc(NC3CCN(c4ccc(C#N)cn4)CC3)c2c1 ZINC000590688236 855548675 /nfs/dbraw/zinc/54/86/75/855548675.db2.gz SXVRYIOCDGRIOQ-UHFFFAOYSA-N 1 0 387.487 3.791 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](c3cccs3)C3(CO)CCC3)C2=O)cc1 ZINC000590765337 855566748 /nfs/dbraw/zinc/56/67/48/855566748.db2.gz MHJREQUCJZHHIZ-UYAOXDASSA-N 1 0 395.528 3.609 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC000590803707 855595767 /nfs/dbraw/zinc/59/57/67/855595767.db2.gz JZKWMJJAKIFKGD-JOCHJYFZSA-N 1 0 391.475 3.695 20 30 GHEDRO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000590807378 855597948 /nfs/dbraw/zinc/59/79/48/855597948.db2.gz BAERIWUPRKOBRU-OALUTQOASA-N 1 0 376.504 3.783 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000301075967 855613886 /nfs/dbraw/zinc/61/38/86/855613886.db2.gz IPNIAVOSYOTANS-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc(C#N)cc3[N+](=O)[O-])cc2F)CC1 ZINC000301167312 855631547 /nfs/dbraw/zinc/63/15/47/855631547.db2.gz RWXZRFQYNQOUCQ-UHFFFAOYSA-N 1 0 383.427 3.880 20 30 GHEDRO N#Cc1cc(Cl)ccc1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301173911 855633685 /nfs/dbraw/zinc/63/36/85/855633685.db2.gz FSEUVHJHNTYRND-GOSISDBHSA-N 1 0 395.938 3.645 20 30 GHEDRO N#Cc1ccc(Cl)cc1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000301261088 855649648 /nfs/dbraw/zinc/64/96/48/855649648.db2.gz GCJANGXEWIPOSS-GOSISDBHSA-N 1 0 382.895 3.521 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2ccco2)c1C#N ZINC000590926585 855657145 /nfs/dbraw/zinc/65/71/45/855657145.db2.gz DOYLOWHZPQRZHA-UHFFFAOYSA-N 1 0 380.448 3.672 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000056794152 855666280 /nfs/dbraw/zinc/66/62/80/855666280.db2.gz YEFYQKGUXHDEBL-FQEVSTJZSA-N 1 0 383.492 3.823 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C[C@@H](C)O1 ZINC000301566324 855717718 /nfs/dbraw/zinc/71/77/18/855717718.db2.gz PYSWZCYJTIHHGG-HUUCEWRRSA-N 1 0 396.457 3.688 20 30 GHEDRO N#Cc1ccnc(N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000301637653 855730585 /nfs/dbraw/zinc/73/05/85/855730585.db2.gz FNPNBVOVRCQOLT-OAHLLOKOSA-N 1 0 389.818 3.730 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843849 855739455 /nfs/dbraw/zinc/73/94/55/855739455.db2.gz FCAGHOMXJHZHLW-IBGZPJMESA-N 1 0 390.531 3.729 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000301991543 855797514 /nfs/dbraw/zinc/79/75/14/855797514.db2.gz PVKDUNWIVPHCLV-GASCZTMLSA-N 1 0 381.442 3.903 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000302007913 855799253 /nfs/dbraw/zinc/79/92/53/855799253.db2.gz AYQXCNGYXUFHNW-IAGOWNOFSA-N 1 0 377.488 3.982 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302020580 855802567 /nfs/dbraw/zinc/80/25/67/855802567.db2.gz HUEDXQIYRMRSSV-UHFFFAOYSA-N 1 0 396.510 3.883 20 30 GHEDRO CN1CCO[C@H]([C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000302212614 855840659 /nfs/dbraw/zinc/84/06/59/855840659.db2.gz NBVGEDRHRNILRY-RBUKOAKNSA-N 1 0 386.839 3.604 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591282090 855882760 /nfs/dbraw/zinc/88/27/60/855882760.db2.gz FSFDKOHBHVFOOR-UTKZUKDTSA-N 1 0 376.460 3.875 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1F ZINC000591288187 855886028 /nfs/dbraw/zinc/88/60/28/855886028.db2.gz UMSGKJXZJANPGG-KSSFIOAISA-N 1 0 380.423 3.705 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000554578494 855919167 /nfs/dbraw/zinc/91/91/67/855919167.db2.gz JBOJFPAAFVKXOE-IBGZPJMESA-N 1 0 382.895 3.803 20 30 GHEDRO N#CCCCNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000544329875 855963067 /nfs/dbraw/zinc/96/30/67/855963067.db2.gz KOBUHXLRMMTYCM-UHFFFAOYSA-N 1 0 383.323 3.905 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000591410019 855963597 /nfs/dbraw/zinc/96/35/97/855963597.db2.gz MLXGAKMRZFOHNR-NYVOZVTQSA-N 1 0 378.520 3.594 20 30 GHEDRO C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415364 855967460 /nfs/dbraw/zinc/96/74/60/855967460.db2.gz UKAVFGKMUDMZMI-GOSISDBHSA-N 1 0 387.487 3.877 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)c1 ZINC000482148440 862743744 /nfs/dbraw/zinc/74/37/44/862743744.db2.gz GGGJYXRVCQOARZ-UHFFFAOYSA-N 1 0 389.499 3.776 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000171483440 856158508 /nfs/dbraw/zinc/15/85/08/856158508.db2.gz QKVZUTLOGYJDDW-KRWDZBQOSA-N 1 0 394.494 3.929 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000171513556 856167595 /nfs/dbraw/zinc/16/75/95/856167595.db2.gz QOLJXUVPRKSLGK-IBGZPJMESA-N 1 0 384.524 3.933 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000248433425 856173787 /nfs/dbraw/zinc/17/37/87/856173787.db2.gz QRCUFOYSWYXMQS-WZONZLPQSA-N 1 0 385.515 3.569 20 30 GHEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000181135758 862766802 /nfs/dbraw/zinc/76/68/02/862766802.db2.gz NOZGCNZUTWFYBL-JTHBVZDNSA-N 1 0 397.494 3.762 20 30 GHEDRO N#CC1(NC(=O)c2ccn(Cc3ccccc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000542869631 856229319 /nfs/dbraw/zinc/22/93/19/856229319.db2.gz XLTHKZYHOODVLG-UHFFFAOYSA-N 1 0 398.510 3.825 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3onc(CCC)c32)CC1 ZINC000171728864 856244398 /nfs/dbraw/zinc/24/43/98/856244398.db2.gz UHIPNYBXKJLUSD-UHFFFAOYSA-N 1 0 382.508 3.823 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)CC1 ZINC000520736214 856281181 /nfs/dbraw/zinc/28/11/81/856281181.db2.gz CQHPRFMMDNLDHI-QGZVFWFLSA-N 1 0 379.504 3.611 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3csc(-c4ccccn4)n3)C2)c(F)c1 ZINC000109351808 856284029 /nfs/dbraw/zinc/28/40/29/856284029.db2.gz XEELLZQIDAFRGE-MRXNPFEDSA-N 1 0 393.491 3.974 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000573603506 856311141 /nfs/dbraw/zinc/31/11/41/856311141.db2.gz CDDLKTRVZMUWQX-RTWAWAEBSA-N 1 0 378.472 3.757 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000109790451 856370164 /nfs/dbraw/zinc/37/01/64/856370164.db2.gz YAEYQVSKOOYELK-GMAHTHKFSA-N 1 0 376.431 3.816 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058248598 856408338 /nfs/dbraw/zinc/40/83/38/856408338.db2.gz MFDSOROCOQRYTR-INIZCTEOSA-N 1 0 397.906 3.760 20 30 GHEDRO N#CCc1cccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000172401705 856423784 /nfs/dbraw/zinc/42/37/84/856423784.db2.gz OLNAVQWZYNIZTN-UHFFFAOYSA-N 1 0 397.906 3.679 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000181215162 862801314 /nfs/dbraw/zinc/80/13/14/862801314.db2.gz KVQUVOJJZMQVJZ-CQSZACIVSA-N 1 0 396.434 3.779 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000265751691 856454580 /nfs/dbraw/zinc/45/45/80/856454580.db2.gz HSSOSGNASKVYSL-GOSISDBHSA-N 1 0 395.532 3.555 20 30 GHEDRO N#Cc1cnccc1CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000592124977 856664954 /nfs/dbraw/zinc/66/49/54/856664954.db2.gz PDOHUEYNRIHNGN-BJKOFHAPSA-N 1 0 386.474 3.850 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1F ZINC000592132275 856675373 /nfs/dbraw/zinc/67/53/73/856675373.db2.gz GMCJPJVEBQFMFU-WGSAOQKQSA-N 1 0 383.423 3.911 20 30 GHEDRO CC(C)N(CC(=O)Nc1sccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592154085 856756797 /nfs/dbraw/zinc/75/67/97/856756797.db2.gz NSWBMKDYTATLEN-IBGZPJMESA-N 1 0 382.533 3.543 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154442 856758746 /nfs/dbraw/zinc/75/87/46/856758746.db2.gz RDVZCYQWIBSMGV-HXUWFJFHSA-N 1 0 396.560 3.933 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2sc(-c3ccccc3)nc2C)CC1 ZINC000592295959 856768203 /nfs/dbraw/zinc/76/82/03/856768203.db2.gz OSLSRSHNPULJGF-UHFFFAOYSA-N 1 0 384.549 3.958 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(SCCOC)cc2)CC1 ZINC000592295984 856768591 /nfs/dbraw/zinc/76/85/91/856768591.db2.gz RAUWPTJTJKWRAZ-QGZVFWFLSA-N 1 0 391.581 3.826 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000170944227 856804105 /nfs/dbraw/zinc/80/41/05/856804105.db2.gz CYLOBHNBGSAXGI-UHFFFAOYSA-N 1 0 394.494 3.502 20 30 GHEDRO Cc1cc(F)ccc1N(CC#N)C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000906081301 856822141 /nfs/dbraw/zinc/82/21/41/856822141.db2.gz IBCOZIRQGADWJE-UHFFFAOYSA-N 1 0 383.467 3.564 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(C#N)cc1 ZINC000075323394 856872095 /nfs/dbraw/zinc/87/20/95/856872095.db2.gz RVUPVMLDFGVCHR-QHCPKHFHSA-N 1 0 375.516 3.861 20 30 GHEDRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592524329 856920440 /nfs/dbraw/zinc/92/04/40/856920440.db2.gz XFEPZYOYUUIAQS-QHCPKHFHSA-N 1 0 390.462 3.837 20 30 GHEDRO CCOc1cccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000063404658 856955393 /nfs/dbraw/zinc/95/53/93/856955393.db2.gz YXOQXUQWKRPTJI-GOSISDBHSA-N 1 0 394.519 3.791 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592260177 856983332 /nfs/dbraw/zinc/98/33/32/856983332.db2.gz SLUWJSXQYSFPKZ-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccsc3NC(=O)c3ccccc3Cl)C[C@H]2C1 ZINC000330315404 862864164 /nfs/dbraw/zinc/86/41/64/862864164.db2.gz POSKJMJGJDLAPL-BETUJISGSA-N 1 0 389.908 3.671 20 30 GHEDRO CC(C)[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccc(C#N)cc1 ZINC000063750443 857051395 /nfs/dbraw/zinc/05/13/95/857051395.db2.gz KNWSZVQPTLULFI-JOCHJYFZSA-N 1 0 395.478 3.508 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000508195465 857055521 /nfs/dbraw/zinc/05/55/21/857055521.db2.gz OHTRACPAJJAIAL-UHFFFAOYSA-N 1 0 378.476 3.694 20 30 GHEDRO N#Cc1sc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)nc1Cl ZINC000888409556 857094737 /nfs/dbraw/zinc/09/47/37/857094737.db2.gz IBZQHXVBQZGAPN-UHFFFAOYSA-N 1 0 395.941 3.763 20 30 GHEDRO C[C@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001128960768 857100419 /nfs/dbraw/zinc/10/04/19/857100419.db2.gz GGEUZHUXPMPIDB-GOSISDBHSA-N 1 0 393.506 3.955 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)ccc1OC ZINC000733329840 862871447 /nfs/dbraw/zinc/87/14/47/862871447.db2.gz AICRWLLUJLLTGM-FQEVSTJZSA-N 1 0 393.487 3.558 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)ccc1OC ZINC000733329897 862872500 /nfs/dbraw/zinc/87/25/00/862872500.db2.gz DXMLKPDJWRBOLV-DNVCBOLYSA-N 1 0 396.487 3.998 20 30 GHEDRO C=CCC1([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000668552030 857114726 /nfs/dbraw/zinc/11/47/26/857114726.db2.gz CCWKPILWGGIWDO-CQSZACIVSA-N 1 0 381.314 3.881 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)cc1 ZINC000064470636 857157534 /nfs/dbraw/zinc/15/75/34/857157534.db2.gz CLWZKSLYIGOEAX-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cc1 ZINC000485879951 857181230 /nfs/dbraw/zinc/18/12/30/857181230.db2.gz HWRUWBPWEYBVHB-DNVJHFABSA-N 1 0 394.540 3.990 20 30 GHEDRO N#C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1c(Cl)cccc1Cl ZINC000900607769 862886302 /nfs/dbraw/zinc/88/63/02/862886302.db2.gz HNPYWZMWFBPBAI-KVULBXGLSA-N 1 0 396.318 3.565 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)sc2C1 ZINC000246079827 857226364 /nfs/dbraw/zinc/22/63/64/857226364.db2.gz DFQOAVURCQSYNL-HUUCEWRRSA-N 1 0 397.548 3.676 20 30 GHEDRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000554957004 857228533 /nfs/dbraw/zinc/22/85/33/857228533.db2.gz QTOMHQOQUOAOIL-QGZVFWFLSA-N 1 0 385.533 3.547 20 30 GHEDRO COc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1C#N ZINC000174291594 857247292 /nfs/dbraw/zinc/24/72/92/857247292.db2.gz IWKLMUGGTWAOAW-UHFFFAOYSA-N 1 0 392.503 3.993 20 30 GHEDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000246269971 857332498 /nfs/dbraw/zinc/33/24/98/857332498.db2.gz ATGHSYUHPUIGCB-JKSUJKDBSA-N 1 0 389.565 3.822 20 30 GHEDRO N#Cc1cc(Br)cnc1N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311076704 857338472 /nfs/dbraw/zinc/33/84/72/857338472.db2.gz VXEQNIHYPWXRIH-SJLPKXTDSA-N 1 0 397.320 3.674 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1OCCCC#N ZINC000174582754 857345795 /nfs/dbraw/zinc/34/57/95/857345795.db2.gz JPERSDIVYFUYGR-PXNSSMCTSA-N 1 0 393.487 3.661 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000175026185 857423704 /nfs/dbraw/zinc/42/37/04/857423704.db2.gz KGSJQYFNNXCAIW-UHFFFAOYSA-N 1 0 393.556 3.914 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000442027319 857446933 /nfs/dbraw/zinc/44/69/33/857446933.db2.gz INQDPARGASBXRW-HNNXBMFYSA-N 1 0 391.585 3.993 20 30 GHEDRO C[C@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000499579951 857575131 /nfs/dbraw/zinc/57/51/31/857575131.db2.gz QLWXILRMDSALIG-KRWDZBQOSA-N 1 0 377.492 3.572 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593530695 857633212 /nfs/dbraw/zinc/63/32/12/857633212.db2.gz KVIBFPUEYGYRES-HDICACEKSA-N 1 0 391.581 3.524 20 30 GHEDRO N#Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000521133312 857644244 /nfs/dbraw/zinc/64/42/44/857644244.db2.gz KEQPZKJQBWUYON-VQTJNVASSA-N 1 0 379.891 3.806 20 30 GHEDRO C[NH+](C)CC1(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCC1 ZINC000281281133 862934627 /nfs/dbraw/zinc/93/46/27/862934627.db2.gz GPRNZWSWIXBJHX-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000922089944 857795481 /nfs/dbraw/zinc/79/54/81/857795481.db2.gz LIPYKENRNSRPJP-FHWLQOOXSA-N 1 0 394.556 3.506 20 30 GHEDRO O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065880089 857849678 /nfs/dbraw/zinc/84/96/78/857849678.db2.gz UCPMRGCUVYHAIT-OAHLLOKOSA-N 1 0 380.427 3.506 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCCCO1 ZINC000594042681 857850736 /nfs/dbraw/zinc/85/07/36/857850736.db2.gz NATPATOVKQADIJ-XYJFISCASA-N 1 0 375.538 3.957 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc2ccccc21 ZINC000065950719 857893809 /nfs/dbraw/zinc/89/38/09/857893809.db2.gz SPACKRUJEKTZLZ-UHFFFAOYSA-N 1 0 395.466 3.968 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000499636310 857966501 /nfs/dbraw/zinc/96/65/01/857966501.db2.gz MTQXLXJZRJDXCO-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000066178511 857991800 /nfs/dbraw/zinc/99/18/00/857991800.db2.gz PQQOLBDSOHOJNE-UHFFFAOYSA-N 1 0 390.531 3.927 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CC(C)(C)CCC#N)CCO2 ZINC000922127615 857992025 /nfs/dbraw/zinc/99/20/25/857992025.db2.gz PGEFSFDWKARYQR-KRWDZBQOSA-N 1 0 379.545 3.855 20 30 GHEDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[C@@H](O)C12CCCC2 ZINC000330333437 862975225 /nfs/dbraw/zinc/97/52/25/862975225.db2.gz PUULKMPQSXNJPS-OAQYLSRUSA-N 1 0 385.552 3.856 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000594291399 858030604 /nfs/dbraw/zinc/03/06/04/858030604.db2.gz VBHJBWNXADCQGV-QFBILLFUSA-N 1 0 398.304 3.652 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000594429817 858174165 /nfs/dbraw/zinc/17/41/65/858174165.db2.gz WPYQGBFMBCLCEU-IAGOWNOFSA-N 1 0 378.314 3.818 20 30 GHEDRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1Cl ZINC000594429104 858174364 /nfs/dbraw/zinc/17/43/64/858174364.db2.gz QUDORUKEVLNBQD-RDTXWAMCSA-N 1 0 390.915 3.704 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccc(C)cc3C)c3c2CCC3)CC1 ZINC000521618300 858177876 /nfs/dbraw/zinc/17/78/76/858177876.db2.gz QYMSSLSHERWRBC-UHFFFAOYSA-N 1 0 392.547 3.748 20 30 GHEDRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440155 858178267 /nfs/dbraw/zinc/17/82/67/858178267.db2.gz VDFHPBHRLVMQSM-HZPDHXFCSA-N 1 0 394.313 3.532 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000594447508 858179860 /nfs/dbraw/zinc/17/98/60/858179860.db2.gz XKFDXWSNKRYUJC-QGZVFWFLSA-N 1 0 378.314 3.566 20 30 GHEDRO CCN(C(=O)Cc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1)c1ccccc1 ZINC000594427404 858185405 /nfs/dbraw/zinc/18/54/05/858185405.db2.gz IOYPFMGCLCWVNY-OAQYLSRUSA-N 1 0 392.503 3.632 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)N2CCOCC2)cc1 ZINC000594494188 858191386 /nfs/dbraw/zinc/19/13/86/858191386.db2.gz VXVAMIHTAUIKBZ-HSZRJFAPSA-N 1 0 393.531 3.659 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC000594498174 858193538 /nfs/dbraw/zinc/19/35/38/858193538.db2.gz NACADOWEHQZJPC-QFIPXVFZSA-N 1 0 375.516 3.811 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000594565249 858223306 /nfs/dbraw/zinc/22/33/06/858223306.db2.gz UZHRFJFSRLCYBF-ROUUACIJSA-N 1 0 396.304 3.640 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000594924667 858306159 /nfs/dbraw/zinc/30/61/59/858306159.db2.gz KODHQFLNLRHROS-KRWDZBQOSA-N 1 0 389.499 3.750 20 30 GHEDRO Cc1c(Br)cncc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594981023 858356418 /nfs/dbraw/zinc/35/64/18/858356418.db2.gz SKJBVUGBLVMIEI-UHFFFAOYSA-N 1 0 386.293 3.820 20 30 GHEDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000594994973 858361044 /nfs/dbraw/zinc/36/10/44/858361044.db2.gz YKNCGOSWMSDUGL-OAQYLSRUSA-N 1 0 391.515 3.874 20 30 GHEDRO CNC(=O)CC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCCCC1 ZINC000594997087 858361581 /nfs/dbraw/zinc/36/15/81/858361581.db2.gz SNFLSPKZECWRMZ-UHFFFAOYSA-N 1 0 393.535 3.640 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(CCC(=O)N(CC)CC)CC2)cc(OC)c1O ZINC000543113626 858437418 /nfs/dbraw/zinc/43/74/18/858437418.db2.gz XACVZGMTEZLSPY-UHFFFAOYSA-N 1 0 388.552 3.990 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1Cl ZINC000595227938 858445656 /nfs/dbraw/zinc/44/56/56/858445656.db2.gz OFYWKWSGOYINSR-TUVDCLKLSA-N 1 0 380.879 3.869 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595229970 858446692 /nfs/dbraw/zinc/44/66/92/858446692.db2.gz UMHAWWOGTZWLMB-UHFFFAOYSA-N 1 0 378.476 3.839 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)CC[C@H]([NH3+])CC3CCCCC3)CCOCC2)c1 ZINC000595257643 858456273 /nfs/dbraw/zinc/45/62/73/858456273.db2.gz MZEKQJYHUXUXJZ-NRFANRHFSA-N 1 0 383.536 3.758 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000115372884 858512093 /nfs/dbraw/zinc/51/20/93/858512093.db2.gz ROTFWIARKAUHOF-UHFFFAOYSA-N 1 0 389.499 3.908 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1C#N ZINC000595561358 858554225 /nfs/dbraw/zinc/55/42/25/858554225.db2.gz IFFKOORQMUMBLS-PXNSSMCTSA-N 1 0 380.492 3.821 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cc1 ZINC000115516867 858555427 /nfs/dbraw/zinc/55/54/27/858555427.db2.gz RBPMBIOIJPCUJJ-UHFFFAOYSA-N 1 0 378.398 3.915 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)NCC3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000595579928 858558387 /nfs/dbraw/zinc/55/83/87/858558387.db2.gz DGUSSTVNBQVCTK-NHCUHLMSSA-N 1 0 396.535 3.746 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000522067871 858573759 /nfs/dbraw/zinc/57/37/59/858573759.db2.gz WEXVCFROVXOETF-NRFANRHFSA-N 1 0 379.504 3.888 20 30 GHEDRO CN(C(=O)CN1CCC[C@H](CC#N)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000595617325 858619237 /nfs/dbraw/zinc/61/92/37/858619237.db2.gz YKHOJAKNBSLOEI-WZONZLPQSA-N 1 0 379.479 3.999 20 30 GHEDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000595679089 858632431 /nfs/dbraw/zinc/63/24/31/858632431.db2.gz VELUABGGIQRZGL-IIDMSEBBSA-N 1 0 389.565 3.556 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670614 858643657 /nfs/dbraw/zinc/64/36/57/858643657.db2.gz GEPOQLZGYDPUJP-QFIPXVFZSA-N 1 0 397.906 3.922 20 30 GHEDRO CSc1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595765996 858664248 /nfs/dbraw/zinc/66/42/48/858664248.db2.gz ZQBMFCPTCCFAAQ-UHFFFAOYSA-N 1 0 381.501 3.514 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000596063580 858768169 /nfs/dbraw/zinc/76/81/69/858768169.db2.gz OGAPMDNYBMFRJW-QFIPXVFZSA-N 1 0 397.563 3.870 20 30 GHEDRO Cn1ccc2ccc(NC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc21 ZINC000593164890 858855634 /nfs/dbraw/zinc/85/56/34/858855634.db2.gz QANXUXHZXLZDII-UHFFFAOYSA-N 1 0 387.487 3.836 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000596470721 858905611 /nfs/dbraw/zinc/90/56/11/858905611.db2.gz GSMXLHOUPFMEHT-FQEVSTJZSA-N 1 0 393.535 3.895 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000609306373 881365146 /nfs/dbraw/zinc/36/51/46/881365146.db2.gz ILKXTYQGTLUKRR-IAGOWNOFSA-N 1 0 379.435 3.846 20 30 GHEDRO CC(C)c1noc(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000113334435 858979607 /nfs/dbraw/zinc/97/96/07/858979607.db2.gz HXFOLEYEDBWRNG-UHFFFAOYSA-N 1 0 378.480 3.693 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000596672014 858985033 /nfs/dbraw/zinc/98/50/33/858985033.db2.gz JQSSCRRTVHLURS-IBGZPJMESA-N 1 0 382.552 3.787 20 30 GHEDRO N#Cc1nc(Br)cnc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170332210 881373762 /nfs/dbraw/zinc/37/37/62/881373762.db2.gz AXFJDPWRKZWPHH-PHZGNYQRSA-N 1 0 398.308 3.718 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466303901 859046752 /nfs/dbraw/zinc/04/67/52/859046752.db2.gz ZVVGLBXDOMWRPI-YPAWHYETSA-N 1 0 380.536 3.732 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596724349 859054104 /nfs/dbraw/zinc/05/41/04/859054104.db2.gz PDEHICRXKKZJPN-QGZVFWFLSA-N 1 0 380.492 3.907 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000483099354 859136342 /nfs/dbraw/zinc/13/63/42/859136342.db2.gz DTOSMBBJAGNOFX-TZIWHRDSSA-N 1 0 385.479 3.792 20 30 GHEDRO CC#CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483105836 859150027 /nfs/dbraw/zinc/15/00/27/859150027.db2.gz RKADQMSURDWNIR-WMZOPIPTSA-N 1 0 381.442 3.801 20 30 GHEDRO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000193350327 859153607 /nfs/dbraw/zinc/15/36/07/859153607.db2.gz WHSOEWFRLQWETP-OAQYLSRUSA-N 1 0 386.417 3.914 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2)CC1 ZINC000596979388 859208932 /nfs/dbraw/zinc/20/89/32/859208932.db2.gz LIXAOVCFVDGKQJ-UHFFFAOYSA-N 1 0 391.490 3.909 20 30 GHEDRO CC[N@H+](CCCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CCCCC1 ZINC000593253857 859220087 /nfs/dbraw/zinc/22/00/87/859220087.db2.gz XXKKVXOXHCXSBE-UHFFFAOYSA-N 1 0 382.430 3.747 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483245144 859238370 /nfs/dbraw/zinc/23/83/70/859238370.db2.gz HGJPUWUAYWVYBW-GOSISDBHSA-N 1 0 388.556 3.710 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597084067 859274140 /nfs/dbraw/zinc/27/41/40/859274140.db2.gz YLTSAMKGQGYJSB-UHFFFAOYSA-N 1 0 397.429 3.780 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000840146013 859292265 /nfs/dbraw/zinc/29/22/65/859292265.db2.gz SSRLQWCGSOLUMN-UHFFFAOYSA-N 1 0 394.567 3.915 20 30 GHEDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c1C ZINC000597124719 859313164 /nfs/dbraw/zinc/31/31/64/859313164.db2.gz NLSWHTTZGXZEPN-UHFFFAOYSA-N 1 0 392.503 3.761 20 30 GHEDRO C[C@H]1C[C@@H]1c1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593315441 859386298 /nfs/dbraw/zinc/38/62/98/859386298.db2.gz GNDMNFUWXALVCY-KKSFZXQISA-N 1 0 392.503 3.738 20 30 GHEDRO COc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593329821 859430311 /nfs/dbraw/zinc/43/03/11/859430311.db2.gz CSUCAPUCYSKHLR-QGZVFWFLSA-N 1 0 392.503 3.592 20 30 GHEDRO COC(=O)C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(O)c1 ZINC001170364976 881429168 /nfs/dbraw/zinc/42/91/68/881429168.db2.gz KXFSNNHNINMMPE-YUVVGHDESA-N 1 0 378.472 3.990 20 30 GHEDRO Cc1ccnc2ccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc12 ZINC000593347732 859517956 /nfs/dbraw/zinc/51/79/56/859517956.db2.gz FRDHFHJISTXZBJ-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCCN1C(=O)OC(C)(C)C ZINC000764606080 859524908 /nfs/dbraw/zinc/52/49/08/859524908.db2.gz QCSGLCALTSQFCZ-HSZRJFAPSA-N 1 0 399.535 3.788 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000597424404 859527435 /nfs/dbraw/zinc/52/74/35/859527435.db2.gz ZKCHZGBWESRDAJ-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO Cc1cc(C)c(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC000593351688 859530873 /nfs/dbraw/zinc/53/08/73/859530873.db2.gz QPBUBJJPWWAIDN-UHFFFAOYSA-N 1 0 375.516 3.807 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC1CCOCC1 ZINC000155971464 859532044 /nfs/dbraw/zinc/53/20/44/859532044.db2.gz QTMWKDXZOQZFQJ-AWEZNQCLSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C/C=C/c3cccc(F)c3)CC2)c1 ZINC000593352900 859537117 /nfs/dbraw/zinc/53/71/17/859537117.db2.gz HCLTWJACJURQKO-HWKANZROSA-N 1 0 377.463 3.881 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@]3(F)c3ccccc3)CC2)c1 ZINC000593349047 859541375 /nfs/dbraw/zinc/54/13/75/859541375.db2.gz PIMFCZLVQYQNCZ-FYYLOGMGSA-N 1 0 377.463 3.524 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)c1 ZINC000593354251 859552585 /nfs/dbraw/zinc/55/25/85/859552585.db2.gz NLJNQBGWTRGRFV-OALUTQOASA-N 1 0 395.453 3.721 20 30 GHEDRO CC(C)(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593354501 859553992 /nfs/dbraw/zinc/55/39/92/859553992.db2.gz PTMWRHXHBMFYJR-UHFFFAOYSA-N 1 0 375.516 3.908 20 30 GHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000483718581 859557125 /nfs/dbraw/zinc/55/71/25/859557125.db2.gz BRSNJQJBZGDHNT-WOJBJXKFSA-N 1 0 386.540 3.968 20 30 GHEDRO CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025300995 859559083 /nfs/dbraw/zinc/55/90/83/859559083.db2.gz VOPNTBDDEYPVTB-NFBKMPQASA-N 1 0 380.488 3.728 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)CC3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000597481667 859568208 /nfs/dbraw/zinc/56/82/08/859568208.db2.gz WJIOKYACJNQGBQ-UNMCSNQZSA-N 1 0 381.520 3.953 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000117748104 859603234 /nfs/dbraw/zinc/60/32/34/859603234.db2.gz INYTXEXGNJTMDP-NRFANRHFSA-N 1 0 389.499 3.549 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000611094345 859608214 /nfs/dbraw/zinc/60/82/14/859608214.db2.gz FOZITVUDNKMDNG-SFHVURJKSA-N 1 0 392.503 3.890 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000601904029 859623427 /nfs/dbraw/zinc/62/34/27/859623427.db2.gz PARKYQZXQBIQPN-UHFFFAOYSA-N 1 0 390.535 3.681 20 30 GHEDRO N#CCCn1cc(CN(CCC[NH3+])c2ccccc2F)c(-c2ccccc2)n1 ZINC000543413383 859635819 /nfs/dbraw/zinc/63/58/19/859635819.db2.gz JCVBAJCULMSBNI-UHFFFAOYSA-N 1 0 377.467 3.958 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@H]1C ZINC000611226769 859650744 /nfs/dbraw/zinc/65/07/44/859650744.db2.gz KHKCBXLDIYLYCQ-CVEARBPZSA-N 1 0 379.464 3.692 20 30 GHEDRO COc1cccc(-c2n[nH]cc2C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000611259034 859669157 /nfs/dbraw/zinc/66/91/57/859669157.db2.gz OGBFUKJUZZEFKX-UHFFFAOYSA-N 1 0 387.487 3.669 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000611260803 859671120 /nfs/dbraw/zinc/67/11/20/859671120.db2.gz KWUYSMVQVQPHBO-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000597616069 859683339 /nfs/dbraw/zinc/68/33/39/859683339.db2.gz CJROAWOCDYDPAF-UNMCSNQZSA-N 1 0 399.579 3.794 20 30 GHEDRO CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C1CCC(C#N)CC1)C2 ZINC000895598566 859696204 /nfs/dbraw/zinc/69/62/04/859696204.db2.gz NSQDNQRHDTXGRJ-UHFFFAOYSA-N 1 0 376.526 3.608 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000611361170 859727839 /nfs/dbraw/zinc/72/78/39/859727839.db2.gz WONKFWRWBXGYQJ-NRFANRHFSA-N 1 0 376.504 3.899 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1OCC(=O)NC ZINC000611379943 859729051 /nfs/dbraw/zinc/72/90/51/859729051.db2.gz MMQJMEKZEFRTRB-FQEVSTJZSA-N 1 0 379.504 3.853 20 30 GHEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000602057894 859734659 /nfs/dbraw/zinc/73/46/59/859734659.db2.gz IIGDIDRRYVNKAB-UHFFFAOYSA-N 1 0 376.460 3.869 20 30 GHEDRO COC(=O)C(C)(C)[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000611405442 859738853 /nfs/dbraw/zinc/73/88/53/859738853.db2.gz MTVMEAGTRJHNLO-SFHVURJKSA-N 1 0 399.516 3.705 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000611391042 859742379 /nfs/dbraw/zinc/74/23/79/859742379.db2.gz NMCLMDRVWZFCEF-MWTRTKDXSA-N 1 0 389.499 3.944 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c1=S ZINC000765024669 859748959 /nfs/dbraw/zinc/74/89/59/859748959.db2.gz HDQKUVMVBJQHDS-LJQANCHMSA-N 1 0 397.592 3.951 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000543458318 859774558 /nfs/dbraw/zinc/77/45/58/859774558.db2.gz VSDXFXAJKIWQNO-KRWDZBQOSA-N 1 0 399.564 3.918 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091863491 859946000 /nfs/dbraw/zinc/94/60/00/859946000.db2.gz HJXMWYIJTCPDNB-UHFFFAOYSA-N 1 0 381.451 3.707 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4cccc(Cl)c4)CCOCC3)n2c1 ZINC000123428974 859959095 /nfs/dbraw/zinc/95/90/95/859959095.db2.gz XILYTKSOMMLISA-UHFFFAOYSA-N 1 0 380.879 3.697 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484467289 860010091 /nfs/dbraw/zinc/01/00/91/860010091.db2.gz PAFHGVNIAFDCMV-IUODEOHRSA-N 1 0 382.386 3.547 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508921151 860026427 /nfs/dbraw/zinc/02/64/27/860026427.db2.gz KRWFDERJBUJDSL-UHFFFAOYSA-N 1 0 378.307 3.722 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3(Cc4ccccc4)CC3)CC2)c1 ZINC000593514131 860101111 /nfs/dbraw/zinc/10/11/11/860101111.db2.gz QKADCKYQNJOSBB-UHFFFAOYSA-N 1 0 388.515 3.597 20 30 GHEDRO CCOc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000593514483 860103582 /nfs/dbraw/zinc/10/35/82/860103582.db2.gz COEDHNOMSHRTFO-UHFFFAOYSA-N 1 0 380.448 3.942 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000602562851 860114982 /nfs/dbraw/zinc/11/49/82/860114982.db2.gz HELWEPUFYGFBGB-KGLIPLIRSA-N 1 0 382.327 3.513 20 30 GHEDRO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)o1 ZINC000092854452 860147462 /nfs/dbraw/zinc/14/74/62/860147462.db2.gz IHDFTZCJLHRCLB-UHFFFAOYSA-N 1 0 377.448 3.725 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1 ZINC000499912232 860170624 /nfs/dbraw/zinc/17/06/24/860170624.db2.gz IKEPPRLSVOXJRS-UMSONDCASA-N 1 0 391.515 3.969 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2Cc3cnn(C4CCOCC4)c3C2)CC1 ZINC001170394831 881514222 /nfs/dbraw/zinc/51/42/22/881514222.db2.gz BZWCVLSSXWHPKS-UHFFFAOYSA-N 1 0 376.504 3.954 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000060877260 860275069 /nfs/dbraw/zinc/27/50/69/860275069.db2.gz JJVXPAIVMOTCGY-SFHVURJKSA-N 1 0 388.556 3.852 20 30 GHEDRO COc1cc(C)nc(O[C@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)n1 ZINC001170398996 881533163 /nfs/dbraw/zinc/53/31/63/881533163.db2.gz XMERXUNRHWPEAM-KQVJYAISSA-N 1 0 392.503 3.651 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000602917878 860366529 /nfs/dbraw/zinc/36/65/29/860366529.db2.gz LCMUAUOGVFDFPR-NBCNXNJRSA-N 1 0 395.528 3.997 20 30 GHEDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1(C)C ZINC001170398567 881531721 /nfs/dbraw/zinc/53/17/21/881531721.db2.gz FIFCQMOMSQOADR-ONGXBYRLSA-N 1 0 394.519 3.553 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)cn2)cc1 ZINC000765665141 860384773 /nfs/dbraw/zinc/38/47/73/860384773.db2.gz ZJJXAOYAWRKJJE-LJQANCHMSA-N 1 0 391.475 3.884 20 30 GHEDRO N#Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cs1 ZINC000921547346 860404312 /nfs/dbraw/zinc/40/43/12/860404312.db2.gz CWGMSKZMELMSOB-UHFFFAOYSA-N 1 0 381.423 3.765 20 30 GHEDRO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598586488 860434161 /nfs/dbraw/zinc/43/41/61/860434161.db2.gz GZWXAECJUNEUFH-CQSZACIVSA-N 1 0 386.323 3.945 20 30 GHEDRO CC(C)[N@H+](C[C@H](O)COc1cccc2ccccc21)C[C@@H](O)CC(C)(C)C#N ZINC000598589273 860435038 /nfs/dbraw/zinc/43/50/38/860435038.db2.gz HIZULZQFBGDPGR-PMACEKPBSA-N 1 0 384.520 3.591 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000598594217 860436971 /nfs/dbraw/zinc/43/69/71/860436971.db2.gz ZVULAMUJVBEYCV-CJNGLKHVSA-N 1 0 398.288 3.729 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c2ccc(OC)cc2)cc1 ZINC000598595449 860438056 /nfs/dbraw/zinc/43/80/56/860438056.db2.gz TYGPGBRIGXHJLC-DENIHFKCSA-N 1 0 382.504 3.878 20 30 GHEDRO CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[C@H]1CCC[C@H]1C#N ZINC000603032337 860439993 /nfs/dbraw/zinc/43/99/93/860439993.db2.gz HLIDNYSCDLWMQF-KSSFIOAISA-N 1 0 390.915 3.969 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C12CCOCC2 ZINC000329933278 860455448 /nfs/dbraw/zinc/45/54/48/860455448.db2.gz BKZDMICXZFDHTO-SLMMIHQXSA-N 1 0 384.520 3.812 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1OCCCC#N ZINC000922694104 860467941 /nfs/dbraw/zinc/46/79/41/860467941.db2.gz JKPZAJZPMMMWHU-CRAIPNDOSA-N 1 0 386.414 3.967 20 30 GHEDRO COCCO[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000555341384 860481857 /nfs/dbraw/zinc/48/18/57/860481857.db2.gz CFBUVOXATXZHJU-HSZRJFAPSA-N 1 0 380.488 3.765 20 30 GHEDRO COc1ccc(S(C)(=O)=O)c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170375751 881546659 /nfs/dbraw/zinc/54/66/59/881546659.db2.gz DZMOMGZPYUQLAG-UHFFFAOYSA-N 1 0 398.528 3.592 20 30 GHEDRO C=CCn1cnc2nc(NC3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)[nH]c(=O)c21 ZINC001168039166 860509714 /nfs/dbraw/zinc/50/97/14/860509714.db2.gz BPSCUSAOZAUQSR-HOTGVXAUSA-N 1 0 392.507 3.571 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2nc3c(s2)CCC3)c(-c2ccccc2)n1 ZINC000922718263 860516331 /nfs/dbraw/zinc/51/63/31/860516331.db2.gz QETAXTCCMIPMIA-UHFFFAOYSA-N 1 0 377.517 3.741 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000509010869 860535490 /nfs/dbraw/zinc/53/54/90/860535490.db2.gz LHKKFJXVTPIRPT-GOSISDBHSA-N 1 0 392.551 3.791 20 30 GHEDRO CSc1cccc(N(C(=O)CC2(C#N)CCOCC2)C2CC[NH+](C)CC2)c1 ZINC000598814510 860595935 /nfs/dbraw/zinc/59/59/35/860595935.db2.gz IDUYAMJBDKVYRH-UHFFFAOYSA-N 1 0 387.549 3.546 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586506 881559616 /nfs/dbraw/zinc/55/96/16/881559616.db2.gz RYAKASKEOJBRBO-JOCHJYFZSA-N 1 0 383.923 3.692 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(C(F)(F)F)c3)C2=O)cc1 ZINC000598973315 860708175 /nfs/dbraw/zinc/70/81/75/860708175.db2.gz VOPKJVVOQKNUTF-HNNXBMFYSA-N 1 0 379.407 3.529 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC[C@@H](O)COCc2ccccc2)c(C(F)(F)F)c1 ZINC000599021604 860744028 /nfs/dbraw/zinc/74/40/28/860744028.db2.gz BYOQCSHEBQMHBJ-GOSISDBHSA-N 1 0 378.394 3.634 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)cc1 ZINC000896442714 860758166 /nfs/dbraw/zinc/75/81/66/860758166.db2.gz YGZHDZVNBYASFW-SFHVURJKSA-N 1 0 378.472 3.921 20 30 GHEDRO CCc1nnc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c(C#N)c1CC ZINC000474781430 860769157 /nfs/dbraw/zinc/76/91/57/860769157.db2.gz YEJVYWHIQZYMBZ-UHFFFAOYSA-N 1 0 397.498 3.567 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000603501158 860770411 /nfs/dbraw/zinc/77/04/11/860770411.db2.gz YYVVQKUZNMIPEE-OAQYLSRUSA-N 1 0 378.476 3.916 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603369 881577968 /nfs/dbraw/zinc/57/79/68/881577968.db2.gz IOXNUJMFSWXWAP-HSZRJFAPSA-N 1 0 381.495 3.566 20 30 GHEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593703431 860930787 /nfs/dbraw/zinc/93/07/87/860930787.db2.gz VCRQVQYFNDJRLJ-LJQANCHMSA-N 1 0 390.531 3.838 20 30 GHEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1=O ZINC000329001653 860939711 /nfs/dbraw/zinc/93/97/11/860939711.db2.gz LHVCRRAUAUUPCM-UAGQMJEPSA-N 1 0 390.325 3.843 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)Nc1nc2c(s1)CCC2 ZINC000329035377 860964785 /nfs/dbraw/zinc/96/47/85/860964785.db2.gz CCPRBGOVHYPUOQ-JFIYKMOQSA-N 1 0 383.517 3.724 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)C(=O)N1CCCCC1 ZINC000329054899 860979909 /nfs/dbraw/zinc/97/99/09/860979909.db2.gz HWHDNQGHCRMGFG-MJUUVYJYSA-N 1 0 383.536 3.612 20 30 GHEDRO CC(C)c1ccc(OC2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000599262788 860993434 /nfs/dbraw/zinc/99/34/34/860993434.db2.gz AAGHXFDXTUGRAF-HXUWFJFHSA-N 1 0 386.536 3.725 20 30 GHEDRO CC1(C)CC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000329075053 860996811 /nfs/dbraw/zinc/99/68/11/860996811.db2.gz AEMNYKYDVFROPL-YHYVQYDKSA-N 1 0 399.579 3.723 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC1 ZINC000329091586 861009693 /nfs/dbraw/zinc/00/96/93/861009693.db2.gz WXQIVAUXCJNZHB-UMAOKMLGSA-N 1 0 377.504 3.527 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000603692487 861024991 /nfs/dbraw/zinc/02/49/91/861024991.db2.gz YOZHAOGEFHVZAL-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO Cc1nc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccc1C#N ZINC000603694399 861030585 /nfs/dbraw/zinc/03/05/85/861030585.db2.gz FOOFXHXDMHBDLI-CALCHBBNSA-N 1 0 376.504 3.670 20 30 GHEDRO CCN1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329117361 861034125 /nfs/dbraw/zinc/03/41/25/861034125.db2.gz UMJLWHUCIOQDKS-FHWLQOOXSA-N 1 0 395.906 3.972 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1OC ZINC000623420674 861039677 /nfs/dbraw/zinc/03/96/77/861039677.db2.gz LXJLRIDHBRZPGJ-JKSUJKDBSA-N 1 0 380.916 3.650 20 30 GHEDRO CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)cn2)CC1 ZINC000329125725 861041991 /nfs/dbraw/zinc/04/19/91/861041991.db2.gz TUXZJTZODBTRLW-OAQYLSRUSA-N 1 0 399.583 3.682 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000599334497 861049510 /nfs/dbraw/zinc/04/95/10/861049510.db2.gz GCXXSFYWOLCBIC-QGZVFWFLSA-N 1 0 394.968 3.968 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000599313349 861053744 /nfs/dbraw/zinc/05/37/44/861053744.db2.gz IUMBNYSTLZXHLK-WOJBJXKFSA-N 1 0 375.472 3.659 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000329137046 861055645 /nfs/dbraw/zinc/05/56/45/861055645.db2.gz DBQRUVWDQJAQJH-UHFFFAOYSA-N 1 0 399.535 3.771 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1 ZINC000599317868 861056540 /nfs/dbraw/zinc/05/65/40/861056540.db2.gz LZLGFHZKJWPQCO-QGZVFWFLSA-N 1 0 385.533 3.748 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)CC12CCC2 ZINC000329144868 861064292 /nfs/dbraw/zinc/06/42/92/861064292.db2.gz NIEBFNYSSYMXFV-GOSISDBHSA-N 1 0 383.536 3.778 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)c2ccc(F)cc2)cc1 ZINC000599328514 861067945 /nfs/dbraw/zinc/06/79/45/861067945.db2.gz ZMHIYJYYKRSIQO-IFMALSPDSA-N 1 0 398.478 3.585 20 30 GHEDRO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCCC#N ZINC000599340974 861076030 /nfs/dbraw/zinc/07/60/30/861076030.db2.gz HLPJHEISHIOMQL-UPVQGACJSA-N 1 0 375.516 3.886 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000185620039 861081950 /nfs/dbraw/zinc/08/19/50/861081950.db2.gz YDOKUPLWBLGNMV-WCQYABFASA-N 1 0 393.413 3.612 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000599350768 861089036 /nfs/dbraw/zinc/08/90/36/861089036.db2.gz ZIJGORBHYWGJML-YOEHRIQHSA-N 1 0 394.393 3.590 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)CCOCC1 ZINC000599355847 861097495 /nfs/dbraw/zinc/09/74/95/861097495.db2.gz IJBIAJIOMCDIBH-GOTSBHOMSA-N 1 0 394.515 3.605 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000185651981 861117617 /nfs/dbraw/zinc/11/76/17/861117617.db2.gz SLYPDMFXBFSCJG-WCQYABFASA-N 1 0 393.413 3.612 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1OC ZINC000623530342 861162337 /nfs/dbraw/zinc/16/23/37/861162337.db2.gz UPGLOKLSROBYCZ-MLGOLLRUSA-N 1 0 379.806 3.849 20 30 GHEDRO COc1ccccc1NC(=O)C1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000329236101 861181512 /nfs/dbraw/zinc/18/15/12/861181512.db2.gz JEXYZRRGECZCNT-SFHVURJKSA-N 1 0 387.524 3.786 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168048769 863079676 /nfs/dbraw/zinc/07/96/76/863079676.db2.gz XJMHPDOMGILJLU-UPPNCUKMSA-N 1 0 395.591 3.929 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000733801338 863170074 /nfs/dbraw/zinc/17/00/74/863170074.db2.gz XGOJNWQLADGBCZ-GOSISDBHSA-N 1 0 390.443 3.776 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000733804117 863172072 /nfs/dbraw/zinc/17/20/72/863172072.db2.gz XWGOZUJSXZMKST-QWFCFKBJSA-N 1 0 386.540 3.535 20 30 GHEDRO CC[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000159985642 863219114 /nfs/dbraw/zinc/21/91/14/863219114.db2.gz HUOBDJCQALALFF-KKSFZXQISA-N 1 0 396.514 3.595 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000160123946 863331215 /nfs/dbraw/zinc/33/12/15/863331215.db2.gz HUZNMAFZMJWKIM-YWZLYKJASA-N 1 0 380.467 3.975 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc([S@](C)=O)cc1 ZINC000160171371 863372706 /nfs/dbraw/zinc/37/27/06/863372706.db2.gz MFBZVIKTFZCSJO-HRSKYJMSSA-N 1 0 385.508 3.754 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCOC3(CCCCC3)C2)sc2c1CCCC2 ZINC000444204227 863655315 /nfs/dbraw/zinc/65/53/15/863655315.db2.gz HQOJJTOWQKLKDI-UHFFFAOYSA-N 1 0 387.549 3.862 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000444210450 863669214 /nfs/dbraw/zinc/66/92/14/863669214.db2.gz FPBQRVDYSPMWRC-VXKWHMMOSA-N 1 0 396.579 3.746 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594003467 863715313 /nfs/dbraw/zinc/71/53/13/863715313.db2.gz ICWVLLMZNGYXNR-PWHSHALESA-N 1 0 375.516 3.764 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cn2)c1 ZINC000609206904 881703437 /nfs/dbraw/zinc/70/34/37/881703437.db2.gz XLSOXFXCWCXIOD-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCc3c(F)cccc3F)CC2)c1 ZINC000594057026 863927991 /nfs/dbraw/zinc/92/79/91/863927991.db2.gz XYGAVNBJRQDMNR-UHFFFAOYSA-N 1 0 397.469 3.940 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cn2)c1 ZINC000594065216 864004501 /nfs/dbraw/zinc/00/45/01/864004501.db2.gz RRZKIZCMGIRVKK-UXHICEINSA-N 1 0 391.475 3.884 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cn2)c1 ZINC000594065218 864004928 /nfs/dbraw/zinc/00/49/28/864004928.db2.gz RRZKIZCMGIRVKK-WOJBJXKFSA-N 1 0 391.475 3.884 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000480090519 864017470 /nfs/dbraw/zinc/01/74/70/864017470.db2.gz COUZSTXWBYTSEN-ICSRJNTNSA-N 1 0 377.488 3.820 20 30 GHEDRO Cc1cc(Br)cc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)oc21 ZINC000159129830 864039539 /nfs/dbraw/zinc/03/95/39/864039539.db2.gz VIWJPURCBDRKLP-UHFFFAOYSA-N 1 0 392.297 3.811 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000734162635 864040347 /nfs/dbraw/zinc/04/03/47/864040347.db2.gz NRAYHJWNHWZEKC-OAQYLSRUSA-N 1 0 379.504 3.581 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000734162634 864040996 /nfs/dbraw/zinc/04/09/96/864040996.db2.gz NRAYHJWNHWZEKC-NRFANRHFSA-N 1 0 379.504 3.581 20 30 GHEDRO Fc1ccc2c(c1)CCC2=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000734297154 864129817 /nfs/dbraw/zinc/12/98/17/864129817.db2.gz GJJGOEGZAURMQG-UHFFFAOYSA-N 1 0 396.535 3.605 20 30 GHEDRO Cc1ccc(F)c(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000734365729 864178789 /nfs/dbraw/zinc/17/87/89/864178789.db2.gz QZPCVYHYAWHYIO-HNNXBMFYSA-N 1 0 385.512 3.714 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccncc1 ZINC000734653173 864369737 /nfs/dbraw/zinc/36/97/37/864369737.db2.gz BPGVHTVRMCISFV-YADHBBJMSA-N 1 0 394.519 3.844 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000734663710 864389633 /nfs/dbraw/zinc/38/96/33/864389633.db2.gz BNNLDTNEHCFMPL-RBBKRZOGSA-N 1 0 378.520 3.910 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000734663709 864389687 /nfs/dbraw/zinc/38/96/87/864389687.db2.gz BNNLDTNEHCFMPL-IRLDBZIGSA-N 1 0 378.520 3.910 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508793517 864476373 /nfs/dbraw/zinc/47/63/73/864476373.db2.gz IENWZBKHDBRJFQ-PKOBYXMFSA-N 1 0 399.514 3.808 20 30 GHEDRO C[NH+]=C(NCc1ccc(Cl)cc1Cl)NCC1(SC)CCOCC1 ZINC000262456616 864502565 /nfs/dbraw/zinc/50/25/65/864502565.db2.gz WWWQMVLYOFPROE-UHFFFAOYSA-N 1 0 376.353 3.571 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2Oc2ccc(OCCC)cc2)CC1 ZINC000735016758 864577840 /nfs/dbraw/zinc/57/78/40/864577840.db2.gz LBYZTVSVBKYUFS-DHIUTWEWSA-N 1 0 398.547 3.627 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCCO2 ZINC000621925609 864589216 /nfs/dbraw/zinc/58/92/16/864589216.db2.gz GISRIZOSLXWZGE-MRXNPFEDSA-N 1 0 386.517 3.554 20 30 GHEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)Nc2cc(C)ccc2F)[C@@H](C)C1 ZINC000735229550 864672983 /nfs/dbraw/zinc/67/29/83/864672983.db2.gz IRYIHAWFEJEGTN-HNNXBMFYSA-N 1 0 380.533 3.545 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H]([NH+](CC)CC)C2)c1=S ZINC000173463667 864750136 /nfs/dbraw/zinc/75/01/36/864750136.db2.gz PTSOSUVQLSROPR-LJQANCHMSA-N 1 0 385.581 3.564 20 30 GHEDRO CN(C(=O)CCCCOc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475315993 864776099 /nfs/dbraw/zinc/77/60/99/864776099.db2.gz ZCTSUNOBFKPYOG-QFIPXVFZSA-N 1 0 391.515 3.840 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186323578 864791221 /nfs/dbraw/zinc/79/12/21/864791221.db2.gz VOQQEIAPNAPOLB-CYFREDJKSA-N 1 0 376.548 3.804 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1OC ZINC000120958739 881818485 /nfs/dbraw/zinc/81/84/85/881818485.db2.gz BYBQYOXGXVIJOD-UHFFFAOYSA-N 1 0 394.515 3.788 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000184754171 864920150 /nfs/dbraw/zinc/92/01/50/864920150.db2.gz VQMDVMZDKSBRTF-UHFFFAOYSA-N 1 0 398.503 3.599 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063370 864938174 /nfs/dbraw/zinc/93/81/74/864938174.db2.gz AMEBLKMIMOWATJ-IRFCIJBXSA-N 1 0 385.552 3.805 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000042122226 864946814 /nfs/dbraw/zinc/94/68/14/864946814.db2.gz BESOCDXTRLRBEZ-UHFFFAOYSA-N 1 0 376.435 3.670 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000554842495 864999511 /nfs/dbraw/zinc/99/95/11/864999511.db2.gz XGLFVSYJAOZXLT-QHCPKHFHSA-N 1 0 393.531 3.836 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000594155430 865228484 /nfs/dbraw/zinc/22/84/84/865228484.db2.gz SZZFSDDJQGBOBG-NRFANRHFSA-N 1 0 399.416 3.855 20 30 GHEDRO C#Cc1cccc(NC(=O)C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000737300744 865388450 /nfs/dbraw/zinc/38/84/50/865388450.db2.gz MOKNISYLMUPUOY-SFHVURJKSA-N 1 0 391.515 3.632 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCOc2cc(OC)ccc21)C(C)C ZINC000608640898 865525770 /nfs/dbraw/zinc/52/57/70/865525770.db2.gz FVEVVZKCEOSYQU-VQTJNVASSA-N 1 0 387.524 3.517 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC000608672262 865576451 /nfs/dbraw/zinc/57/64/51/865576451.db2.gz FPUNWYUGSKSYGG-UHFFFAOYSA-N 1 0 399.535 3.910 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)[NH+](C)C)cc1 ZINC000594245007 865577820 /nfs/dbraw/zinc/57/78/20/865577820.db2.gz WYGJSDPJNHZWCB-FQEVSTJZSA-N 1 0 380.517 3.608 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)CC2)c1 ZINC000480967219 865587962 /nfs/dbraw/zinc/58/79/62/865587962.db2.gz RRNMPFGJOKVXIZ-UHFFFAOYSA-N 1 0 392.478 3.650 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594286979 865713261 /nfs/dbraw/zinc/71/32/61/865713261.db2.gz KWZKKXJOADDCEH-WMZHIEFXSA-N 1 0 390.531 3.645 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000555263398 865796512 /nfs/dbraw/zinc/79/65/12/865796512.db2.gz AQKQWNWWBJSJSQ-FQEVSTJZSA-N 1 0 378.524 3.779 20 30 GHEDRO C=C(C)Cn1c(CC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000555268230 865805251 /nfs/dbraw/zinc/80/52/51/865805251.db2.gz IVVQHBJXDXPPKD-NHCUHLMSSA-N 1 0 379.552 3.908 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000739991493 865821984 /nfs/dbraw/zinc/82/19/84/865821984.db2.gz RLGIKWOVKPHVCL-JOCHJYFZSA-N 1 0 377.488 3.548 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)s1 ZINC000740060830 865838742 /nfs/dbraw/zinc/83/87/42/865838742.db2.gz YFRBRKSVHHMTBW-MSOLQXFVSA-N 1 0 380.517 3.713 20 30 GHEDRO C[NH+](C)C1(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCCC1 ZINC000740467309 865936523 /nfs/dbraw/zinc/93/65/23/865936523.db2.gz MLVBCUDRONQDPI-UHFFFAOYSA-N 1 0 382.533 3.960 20 30 GHEDRO C[C@@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[NH+]1CCCCC1 ZINC000740472859 865938424 /nfs/dbraw/zinc/93/84/24/865938424.db2.gz FLIXGKFGXXZACT-INIZCTEOSA-N 1 0 382.533 3.960 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(SCc3csc(C)n3)cc2)CC1 ZINC000740737050 865974718 /nfs/dbraw/zinc/97/47/18/865974718.db2.gz XRCNZLZTNDQTPQ-UHFFFAOYSA-N 1 0 399.585 3.961 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444414470 866088449 /nfs/dbraw/zinc/08/84/49/866088449.db2.gz GJJUXQUOEZNBFA-UHFFFAOYSA-N 1 0 391.475 3.887 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000740898982 866089858 /nfs/dbraw/zinc/08/98/58/866089858.db2.gz JWTIAHQIVPVIQX-KRWDZBQOSA-N 1 0 394.696 3.938 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2)CC1 ZINC000793102853 881942630 /nfs/dbraw/zinc/94/26/30/881942630.db2.gz PJHWUEHZASHZFH-FQEVSTJZSA-N 1 0 376.504 3.855 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000456177238 866220306 /nfs/dbraw/zinc/22/03/06/866220306.db2.gz XPCKNHAXULXDFS-UHFFFAOYSA-N 1 0 379.504 3.987 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000670233925 866252640 /nfs/dbraw/zinc/25/26/40/866252640.db2.gz YBENMRXSFDCSON-JOCHJYFZSA-N 1 0 393.579 3.952 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(NC(=O)CSc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000121427826 866361633 /nfs/dbraw/zinc/36/16/33/866361633.db2.gz UTWQDQFBGJTZMY-CALCHBBNSA-N 1 0 395.528 3.898 20 30 GHEDRO [NH2+]=C(NCc1ncc(-c2ccccc2)o1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304472393 866499020 /nfs/dbraw/zinc/49/90/20/866499020.db2.gz DZTYCJOSAVZSEZ-UHFFFAOYSA-N 1 0 390.365 3.845 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCC2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000304811545 866521862 /nfs/dbraw/zinc/52/18/62/866521862.db2.gz XKDNQRYRGWYFHQ-UHFFFAOYSA-N 1 0 392.853 3.740 20 30 GHEDRO C=CCc1cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc(OC)c1OC ZINC000620307846 866667511 /nfs/dbraw/zinc/66/75/11/866667511.db2.gz BCAJQYKBXNYOOI-ZWOKBUDYSA-N 1 0 386.536 3.910 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000741725554 866736325 /nfs/dbraw/zinc/73/63/25/866736325.db2.gz GCODAYLXPRLILF-UHFFFAOYSA-N 1 0 384.451 3.811 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000553083537 866779474 /nfs/dbraw/zinc/77/94/74/866779474.db2.gz MMIWDJCHZLVFCE-QGZVFWFLSA-N 1 0 380.492 3.578 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000909606775 866987975 /nfs/dbraw/zinc/98/79/75/866987975.db2.gz RAPXSRJPRKIZBI-UHFFFAOYSA-N 1 0 378.476 3.676 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000523288427 866997628 /nfs/dbraw/zinc/99/76/28/866997628.db2.gz RYCWFOCDTYVFNZ-KRWDZBQOSA-N 1 0 395.503 3.971 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444697919 867081069 /nfs/dbraw/zinc/08/10/69/867081069.db2.gz QZSIYBFBRVFSKS-MBSDFSHPSA-N 1 0 379.504 3.971 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@H]1c1ccccc1 ZINC000533948042 867294598 /nfs/dbraw/zinc/29/45/98/867294598.db2.gz MXNUECDKPHTORV-MYDTUXCISA-N 1 0 388.515 3.913 20 30 GHEDRO CCO[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C1=CCCC1 ZINC000479236621 867382768 /nfs/dbraw/zinc/38/27/68/867382768.db2.gz BIYVEFZSENKFMU-NRFANRHFSA-N 1 0 381.520 3.566 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)ccc1C#N ZINC000440616471 867562900 /nfs/dbraw/zinc/56/29/00/867562900.db2.gz RZMWDEIZHNNRAU-HNNXBMFYSA-N 1 0 378.394 3.526 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000479375975 867651635 /nfs/dbraw/zinc/65/16/35/867651635.db2.gz DKPJCONRWIWQKW-OALUTQOASA-N 1 0 375.561 3.672 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cnn(-c2ccccc2)c1)[n+]1ccccc1CC ZINC000743052422 867787276 /nfs/dbraw/zinc/78/72/76/867787276.db2.gz LSVKXLCVZLEUEU-UHFFFAOYSA-O 1 0 391.520 3.709 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccccc1 ZINC000155195191 867798374 /nfs/dbraw/zinc/79/83/74/867798374.db2.gz YSFHAHZQTJEHAS-IBGZPJMESA-N 1 0 391.515 3.682 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000743147053 867898772 /nfs/dbraw/zinc/89/87/72/867898772.db2.gz ZHUFZUQQQVMSBL-UHFFFAOYSA-N 1 0 385.439 3.812 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000743203204 867925409 /nfs/dbraw/zinc/92/54/09/867925409.db2.gz ZDWRYYKBGBQCNZ-LPHOPBHVSA-N 1 0 381.451 3.795 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000743198016 867945761 /nfs/dbraw/zinc/94/57/61/867945761.db2.gz LEYJOVGWOIOWJO-CALCHBBNSA-N 1 0 375.488 3.717 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000743200734 867950023 /nfs/dbraw/zinc/95/00/23/867950023.db2.gz MNJFBWSPQPBXOE-UHFFFAOYSA-N 1 0 399.441 3.763 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000743200457 867951327 /nfs/dbraw/zinc/95/13/27/867951327.db2.gz DQTRQGIEZTYDQF-HXUWFJFHSA-N 1 0 381.451 3.796 20 30 GHEDRO C=CC[C@H]1N(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCCC1(C)C ZINC000445254445 868107626 /nfs/dbraw/zinc/10/76/26/868107626.db2.gz VXNJBTGEQUAEPJ-NHCUHLMSSA-N 1 0 385.552 3.530 20 30 GHEDRO C=CC[C@H]1N(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCC1(C)C ZINC000445254444 868108609 /nfs/dbraw/zinc/10/86/09/868108609.db2.gz VXNJBTGEQUAEPJ-LEWJYISDSA-N 1 0 385.552 3.530 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H](C[N@@H+](C)CC)C2)c1=S ZINC000743398582 868159758 /nfs/dbraw/zinc/15/97/58/868159758.db2.gz JTCOREZOFNUPTF-SFHVURJKSA-N 1 0 385.581 3.807 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1=S ZINC000743377267 868173186 /nfs/dbraw/zinc/17/31/86/868173186.db2.gz PGZLPXXBIXZMTA-LJQANCHMSA-N 1 0 383.565 3.641 20 30 GHEDRO C[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000743405829 868182800 /nfs/dbraw/zinc/18/28/00/868182800.db2.gz OFEXKZVSJQFFEO-HXUWFJFHSA-N 1 0 385.515 3.976 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000155951154 868195964 /nfs/dbraw/zinc/19/59/64/868195964.db2.gz PJNYNQZWYDGFFQ-RTWAWAEBSA-N 1 0 377.573 3.532 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2cccc(OCc3ccccc3C)c2)CC1 ZINC000743492561 868237878 /nfs/dbraw/zinc/23/78/78/868237878.db2.gz VORLQQDUXGICAU-UHFFFAOYSA-N 1 0 390.527 3.720 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](CO)c1ccccc1 ZINC000479684572 868333223 /nfs/dbraw/zinc/33/32/23/868333223.db2.gz BDUZSQFGQWNTGG-IBGZPJMESA-N 1 0 397.544 3.883 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669804917 868404537 /nfs/dbraw/zinc/40/45/37/868404537.db2.gz PLDUBCLYNLQXCS-LJQANCHMSA-N 1 0 391.494 3.981 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000479729701 868404773 /nfs/dbraw/zinc/40/47/73/868404773.db2.gz QKUYAUQRBADMHW-WOJBJXKFSA-N 1 0 389.588 3.920 20 30 GHEDRO CC[N@H+](CCOc1ccc(C#N)cc1)Cc1cc(Br)ccc1O ZINC000743871134 868468519 /nfs/dbraw/zinc/46/85/19/868468519.db2.gz RYVCVVWUGBCQLN-UHFFFAOYSA-N 1 0 375.266 3.927 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669810949 868658330 /nfs/dbraw/zinc/65/83/30/868658330.db2.gz PFNRTUSMADEJST-UHFFFAOYSA-N 1 0 382.556 3.562 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccccc2F)C1)C(C)C ZINC000524178818 868662611 /nfs/dbraw/zinc/66/26/11/868662611.db2.gz WOZJOKLZDIPWJG-LEWJYISDSA-N 1 0 389.515 3.607 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1OC ZINC000479905090 868675634 /nfs/dbraw/zinc/67/56/34/868675634.db2.gz WOUMAEROZWULIT-JCURWCKSSA-N 1 0 375.538 3.619 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000091918744 882215017 /nfs/dbraw/zinc/21/50/17/882215017.db2.gz QRSPHROTFXVKFJ-UHFFFAOYSA-N 1 0 392.499 3.948 20 30 GHEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669815286 868812874 /nfs/dbraw/zinc/81/28/74/868812874.db2.gz HVRGBXQLSHHTGQ-HNNXBMFYSA-N 1 0 391.972 3.940 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1c1ccccc1 ZINC000535470179 868822242 /nfs/dbraw/zinc/82/22/42/868822242.db2.gz UDLDDBIUVBFJBO-GGAORHGYSA-N 1 0 398.466 3.921 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1c1ccccc1 ZINC000535470180 868822478 /nfs/dbraw/zinc/82/24/78/868822478.db2.gz UDLDDBIUVBFJBO-GMAHTHKFSA-N 1 0 398.466 3.921 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](CC(C)C)C2)c1=S ZINC000744437570 868839516 /nfs/dbraw/zinc/83/95/16/868839516.db2.gz VZHVTDUTDOGOSV-IBGZPJMESA-N 1 0 391.629 3.954 20 30 GHEDRO NC(=[NH+]OCC(=O)Nc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000744446381 868849333 /nfs/dbraw/zinc/84/93/33/868849333.db2.gz WYFBGOIGFSWNSL-UHFFFAOYSA-N 1 0 386.883 3.606 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1C#N ZINC000524547821 869238211 /nfs/dbraw/zinc/23/82/11/869238211.db2.gz CXVZQDKTMATOKT-UHFFFAOYSA-N 1 0 398.576 3.889 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)c1C#N ZINC000152836818 869312228 /nfs/dbraw/zinc/31/22/28/869312228.db2.gz ZLIPWSDIFBFULI-WOJBJXKFSA-N 1 0 376.504 3.695 20 30 GHEDRO CC(C)([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H](O)c1ccc(Br)cc1 ZINC000793588882 882295530 /nfs/dbraw/zinc/29/55/30/882295530.db2.gz FBHHLRZDRKJFMM-GOSISDBHSA-N 1 0 399.292 3.570 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000539609838 869441627 /nfs/dbraw/zinc/44/16/27/869441627.db2.gz NPZPHXGXDGOQOG-GFCCVEGCSA-N 1 0 390.256 3.540 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000539613018 869445379 /nfs/dbraw/zinc/44/53/79/869445379.db2.gz HTCMAHIUTWRPDW-JXFKEZNVSA-N 1 0 375.538 3.504 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Br)cc1 ZINC000172725548 882303541 /nfs/dbraw/zinc/30/35/41/882303541.db2.gz BLBZYZGDSJCDBB-CQSZACIVSA-N 1 0 378.314 3.785 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000539623971 869484057 /nfs/dbraw/zinc/48/40/57/869484057.db2.gz ZJEUPYZUFYFPTK-QFIPXVFZSA-N 1 0 391.515 3.681 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000609098066 869490137 /nfs/dbraw/zinc/49/01/37/869490137.db2.gz BSYRROJAWXLOKM-WOJBJXKFSA-N 1 0 394.544 3.542 20 30 GHEDRO CC(C)Cc1nc(C#N)c(N=NCc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000745613282 869700193 /nfs/dbraw/zinc/70/01/93/869700193.db2.gz QHTBWFVGCJLBNY-UHFFFAOYSA-N 1 0 381.480 3.665 20 30 GHEDRO C=CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831912 869869156 /nfs/dbraw/zinc/86/91/56/869869156.db2.gz VKVNCEBXRSPKBV-MRXNPFEDSA-N 1 0 378.436 3.628 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000462670814 869880530 /nfs/dbraw/zinc/88/05/30/869880530.db2.gz VUHNTFPXWJXQRY-QFBILLFUSA-N 1 0 379.508 3.757 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000525022299 869902711 /nfs/dbraw/zinc/90/27/11/869902711.db2.gz SPFGLVNCZBGFGS-JTSKRJEESA-N 1 0 377.488 3.957 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000525123985 870024840 /nfs/dbraw/zinc/02/48/40/870024840.db2.gz GVYLLSKEUCBINB-FPOVZHCZSA-N 1 0 391.515 3.895 20 30 GHEDRO C=CC[N@@H+](CCCc1cccc(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000525127361 870031281 /nfs/dbraw/zinc/03/12/81/870031281.db2.gz BARZZQFUCDECKC-GOSISDBHSA-N 1 0 377.492 3.853 20 30 GHEDRO C=CC[N@@H+](CCCc1cccc(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000525127362 870031586 /nfs/dbraw/zinc/03/15/86/870031586.db2.gz BARZZQFUCDECKC-SFHVURJKSA-N 1 0 377.492 3.853 20 30 GHEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccc(F)cc2)nnc1-c1ccncc1 ZINC000185682268 870216799 /nfs/dbraw/zinc/21/67/99/870216799.db2.gz HUXMBBOAZGNWHR-UHFFFAOYSA-N 1 0 383.496 3.889 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000092533653 882384578 /nfs/dbraw/zinc/38/45/78/882384578.db2.gz GNFYRGJSUBNHTB-GOSISDBHSA-N 1 0 389.499 3.779 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262574841 870238304 /nfs/dbraw/zinc/23/83/04/870238304.db2.gz ZWULMNXMSZPLTC-QFBILLFUSA-N 1 0 398.938 3.903 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540043890 870289671 /nfs/dbraw/zinc/28/96/71/870289671.db2.gz KDHMLZOMPBDXJK-KPRXVCGWSA-N 1 0 382.552 3.655 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540044160 870297221 /nfs/dbraw/zinc/29/72/21/870297221.db2.gz SVLGDSZCAWWFSY-IBGZPJMESA-N 1 0 376.504 3.671 20 30 GHEDRO C[C@H](O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001192379358 870334950 /nfs/dbraw/zinc/33/49/50/870334950.db2.gz DIRQXRWRLRXDEK-SSKFGXFMSA-N 1 0 377.488 3.524 20 30 GHEDRO C=CCc1cc(C[N@H+](CCOC)Cc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000538730513 870452695 /nfs/dbraw/zinc/45/26/95/870452695.db2.gz QRGBCFPDEPJCGM-UHFFFAOYSA-N 1 0 385.460 3.507 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000793789920 882411767 /nfs/dbraw/zinc/41/17/67/882411767.db2.gz HDNZBXAICNSJSX-VQTJNVASSA-N 1 0 379.589 3.576 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446839404 870562246 /nfs/dbraw/zinc/56/22/46/870562246.db2.gz SFTGMCNXZIKNLA-UHFFFAOYSA-N 1 0 375.432 3.965 20 30 GHEDRO N#Cc1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000181258840 870575401 /nfs/dbraw/zinc/57/54/01/870575401.db2.gz KEUFBXCHNQVHML-UHFFFAOYSA-N 1 0 391.302 3.931 20 30 GHEDRO Cc1ccc(CC[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000461753315 870873278 /nfs/dbraw/zinc/87/32/78/870873278.db2.gz WXSQVWLBHDJCES-JOCHJYFZSA-N 1 0 390.483 3.944 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](C)C1 ZINC000525545669 870897786 /nfs/dbraw/zinc/89/77/86/870897786.db2.gz OHNCAUPCHSAAES-JXFKEZNVSA-N 1 0 378.476 3.548 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249776446 870908623 /nfs/dbraw/zinc/90/86/23/870908623.db2.gz NOMFQELIHSRMTH-RTBURBONSA-N 1 0 398.551 3.743 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168871810 870913133 /nfs/dbraw/zinc/91/31/33/870913133.db2.gz KMRAELCAXDYRKJ-WMZOPIPTSA-N 1 0 385.508 3.799 20 30 GHEDRO Cc1ccc(-n2cnc3ccc(C[NH3+])cc32)cc1NC(=O)c1cccc(C#N)c1 ZINC001168844433 870923441 /nfs/dbraw/zinc/92/34/41/870923441.db2.gz LOWPOSZBVWNPNB-UHFFFAOYSA-N 1 0 381.439 3.917 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)c1cccc(OC)c1 ZINC000461795465 870973188 /nfs/dbraw/zinc/97/31/88/870973188.db2.gz JZTYNUJJBSGQHC-JTSKRJEESA-N 1 0 379.504 3.870 20 30 GHEDRO O=C1CCCCN1CC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000122187377 882466290 /nfs/dbraw/zinc/46/62/90/882466290.db2.gz BRTSAWVJYXLGCL-UHFFFAOYSA-N 1 0 394.437 3.661 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000766561333 871104453 /nfs/dbraw/zinc/10/44/53/871104453.db2.gz ZFJCTPGZMPTXQW-WIYYLYMNSA-N 1 0 394.515 3.641 20 30 GHEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540394107 871161572 /nfs/dbraw/zinc/16/15/72/871161572.db2.gz DRQBCZJAUDBBJF-QGZVFWFLSA-N 1 0 386.455 3.935 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000540404370 871189818 /nfs/dbraw/zinc/18/98/18/871189818.db2.gz MJFUQCBHIUVKKZ-GOSISDBHSA-N 1 0 396.535 3.919 20 30 GHEDRO COc1ccccc1C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC001169124201 871214730 /nfs/dbraw/zinc/21/47/30/871214730.db2.gz NGRVVMNHENAGFT-FCHUYYIVSA-N 1 0 391.515 3.919 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C(C)C)[C@H]2CCOC2)c1C#N ZINC000463234175 871219901 /nfs/dbraw/zinc/21/99/01/871219901.db2.gz IGNBIIMHGYSQBD-IBGZPJMESA-N 1 0 398.482 3.543 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000181587168 871226994 /nfs/dbraw/zinc/22/69/94/871226994.db2.gz UTNFYFWIIQSGBO-DNVCBOLYSA-N 1 0 384.451 3.577 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169145882 871258376 /nfs/dbraw/zinc/25/83/76/871258376.db2.gz UVJSCJZDFWHFEO-WCJKSRRJSA-N 1 0 386.540 3.986 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000540430005 871264526 /nfs/dbraw/zinc/26/45/26/871264526.db2.gz OMCUKVBDCFGRRX-OAHLLOKOSA-N 1 0 385.430 3.927 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000793934878 882492211 /nfs/dbraw/zinc/49/22/11/882492211.db2.gz ZHQFYRVNVFAAFE-FIKGOQFSSA-N 1 0 397.544 3.984 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(Br)s2)c(C#N)c1C ZINC000443343088 871285091 /nfs/dbraw/zinc/28/50/91/871285091.db2.gz LWKWTALKNVWSLL-SECBINFHSA-N 1 0 382.283 3.881 20 30 GHEDRO CCN(CC)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181624596 871293769 /nfs/dbraw/zinc/29/37/69/871293769.db2.gz HATFPHWUCRPEJL-QFIPXVFZSA-N 1 0 380.536 3.788 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3c(F)cc(F)c(F)c3F)CC2)cc1 ZINC000463252125 871299988 /nfs/dbraw/zinc/29/99/88/871299988.db2.gz YUUMFZNRZSUREY-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC001193840273 871308425 /nfs/dbraw/zinc/30/84/25/871308425.db2.gz YARLNZYKQWGMNQ-IRXDYDNUSA-N 1 0 384.785 3.587 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC1CC[NH+](CC)CC1 ZINC001169241135 871339277 /nfs/dbraw/zinc/33/92/77/871339277.db2.gz IEUFNRIZCNJKMZ-OAQYLSRUSA-N 1 0 388.552 3.578 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000539124636 871356454 /nfs/dbraw/zinc/35/64/54/871356454.db2.gz HTOJIOWYQFAGCI-UHFFFAOYSA-N 1 0 396.466 3.836 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000540471081 871383017 /nfs/dbraw/zinc/38/30/17/871383017.db2.gz BHZKDEXHGZKDEU-SFTDATJTSA-N 1 0 391.515 3.773 20 30 GHEDRO C=CCOCCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000667210032 871416614 /nfs/dbraw/zinc/41/66/14/871416614.db2.gz OFCRBAWYSDWDJK-UHFFFAOYSA-N 1 0 381.904 3.527 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC001194191763 871547446 /nfs/dbraw/zinc/54/74/46/871547446.db2.gz OOGMQLSRROBBPT-WMQCIHAUSA-N 1 0 386.561 3.999 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000540565973 871562284 /nfs/dbraw/zinc/56/22/84/871562284.db2.gz VORIIABVXUIKBB-LJQANCHMSA-N 1 0 385.552 3.761 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000122315340 882527283 /nfs/dbraw/zinc/52/72/83/882527283.db2.gz XKOGBJIOYOYZHG-UHFFFAOYSA-N 1 0 384.545 3.884 20 30 GHEDRO N#Cc1cc2cccnc2nc1-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001169608082 871669650 /nfs/dbraw/zinc/66/96/50/871669650.db2.gz GHMKNBMTZZRPMM-UHFFFAOYSA-N 1 0 397.360 3.845 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000539324060 871736207 /nfs/dbraw/zinc/73/62/07/871736207.db2.gz AILZIHRTMWQTRA-QPPBQGQZSA-N 1 0 391.515 3.822 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(C#N)cc1 ZINC000447527948 871757263 /nfs/dbraw/zinc/75/72/63/871757263.db2.gz HOCGCDUQEXCMHV-OAQYLSRUSA-N 1 0 385.533 3.830 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC001194551355 871785125 /nfs/dbraw/zinc/78/51/25/871785125.db2.gz GFNCZBNCKTWZHY-IBGZPJMESA-N 1 0 390.405 3.729 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1C)C(C)C ZINC000618637967 871791684 /nfs/dbraw/zinc/79/16/84/871791684.db2.gz MMNBTQKESIDARU-OAQYLSRUSA-N 1 0 384.499 3.748 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000447546183 871819060 /nfs/dbraw/zinc/81/90/60/871819060.db2.gz ZRKGIMGNQTUMBS-FCHUYYIVSA-N 1 0 377.488 3.708 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169784647 871878387 /nfs/dbraw/zinc/87/83/87/871878387.db2.gz NNBSOZJWHUEXMN-FGZHOGPDSA-N 1 0 389.499 3.706 20 30 GHEDRO CCCCCCCCOC(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001194738053 871900434 /nfs/dbraw/zinc/90/04/34/871900434.db2.gz RXUWTRJSTYRXKL-UXHICEINSA-N 1 0 376.545 3.671 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(-n2cccn2)c1 ZINC000525999054 871918659 /nfs/dbraw/zinc/91/86/59/871918659.db2.gz PVQGLKVHHPRUDL-UHFFFAOYSA-N 1 0 387.487 3.829 20 30 GHEDRO CC1(C)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCOC2)O1 ZINC000526002259 871926325 /nfs/dbraw/zinc/92/63/25/871926325.db2.gz YCWYQENYIDOOBK-XMMPIXPASA-N 1 0 392.499 3.907 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000552059224 871955099 /nfs/dbraw/zinc/95/50/99/871955099.db2.gz SHQCWGXUURQEIB-ZKMOHVOUSA-N 1 0 377.488 3.826 20 30 GHEDRO O=C(c1ccccc1)C(C(=S)NCC(F)(F)F)[n+]1ccc2c(c1)CCCC2 ZINC000101535144 872072614 /nfs/dbraw/zinc/07/26/14/872072614.db2.gz OMMUOJHBESRPKA-UHFFFAOYSA-O 1 0 393.454 3.944 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000463589191 872101249 /nfs/dbraw/zinc/10/12/49/872101249.db2.gz GSHOGUSXVKXTAR-PKOBYXMFSA-N 1 0 380.488 3.825 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1OC ZINC000552147255 872137662 /nfs/dbraw/zinc/13/76/62/872137662.db2.gz VEKVSEHGKZSGKN-CQSZACIVSA-N 1 0 384.314 3.617 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001195122722 872185397 /nfs/dbraw/zinc/18/53/97/872185397.db2.gz GTUNHXXCYXASAU-GOSISDBHSA-N 1 0 396.535 3.895 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478006531 872305757 /nfs/dbraw/zinc/30/57/57/872305757.db2.gz ZSRPVSKUHWALAN-LJQANCHMSA-N 1 0 379.426 3.849 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2cc(C)ccc2OC)[n+]2ccccc2)cn1 ZINC000101900267 872354508 /nfs/dbraw/zinc/35/45/08/872354508.db2.gz OFROAAPVKOXZFW-UHFFFAOYSA-O 1 0 395.508 3.558 20 30 GHEDRO COC(=O)/C=C\c1ccc(OCC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000767331440 872402221 /nfs/dbraw/zinc/40/22/21/872402221.db2.gz JQJSCCYDCFKGBK-WDZFZDKYSA-N 1 0 388.467 3.913 20 30 GHEDRO C#C[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)C1 ZINC001195568947 872506979 /nfs/dbraw/zinc/50/69/79/872506979.db2.gz TWNRSCBXLYOQKK-LJQANCHMSA-N 1 0 384.483 3.823 20 30 GHEDRO CC(C)c1n[nH]c(CC2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)n1 ZINC001195694656 872588075 /nfs/dbraw/zinc/58/80/75/872588075.db2.gz PVQAMHKDMDKWAR-UHFFFAOYSA-N 1 0 387.915 3.939 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)C1CC1 ZINC000775671180 872614697 /nfs/dbraw/zinc/61/46/97/872614697.db2.gz PJRNDJZYOBRISU-FQEVSTJZSA-N 1 0 396.466 3.760 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000552425159 872625068 /nfs/dbraw/zinc/62/50/68/872625068.db2.gz HBOKVUCOWGZFRU-BJKOFHAPSA-N 1 0 392.499 3.547 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000619441423 872630843 /nfs/dbraw/zinc/63/08/43/872630843.db2.gz DTQYNPLDHXDKPC-UHFFFAOYSA-N 1 0 377.488 3.697 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000619584593 872772120 /nfs/dbraw/zinc/77/21/20/872772120.db2.gz XANVVVBEWQGOBP-UHFFFAOYSA-N 1 0 376.504 3.586 20 30 GHEDRO C#CC[N@@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)C1CSC1 ZINC001195978653 872781048 /nfs/dbraw/zinc/78/10/48/872781048.db2.gz NSQSPBNVRIVBJJ-UHFFFAOYSA-N 1 0 395.366 3.835 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000541055362 872808288 /nfs/dbraw/zinc/80/82/88/872808288.db2.gz XURLUKNDFPYKIU-CRAIPNDOSA-N 1 0 375.538 3.550 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000206849918 872830944 /nfs/dbraw/zinc/83/09/44/872830944.db2.gz AFNOZXZXJALFOL-QXHGNLAOSA-N 1 0 398.478 3.831 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000552570286 872833222 /nfs/dbraw/zinc/83/32/22/872833222.db2.gz AQCNCMPIJAFQAB-IBGZPJMESA-N 1 0 385.552 3.540 20 30 GHEDRO N#Cc1cnc2c(Br)cccc2c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000619650643 872845724 /nfs/dbraw/zinc/84/57/24/872845724.db2.gz VOGJRSOSFCXSHQ-UHFFFAOYSA-N 1 0 394.276 3.591 20 30 GHEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000527268946 872917461 /nfs/dbraw/zinc/91/74/61/872917461.db2.gz MCGJCSQEVUOVQN-UHFFFAOYSA-N 1 0 381.863 3.996 20 30 GHEDRO Cc1cc(F)cc([C@@]2(F)CCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723805 872922314 /nfs/dbraw/zinc/92/23/14/872922314.db2.gz ZGROYAMILHXZTF-IFMALSPDSA-N 1 0 386.442 3.511 20 30 GHEDRO CC(C)(CNC(=O)NCc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000619754245 872964090 /nfs/dbraw/zinc/96/40/90/872964090.db2.gz CYWMBWJAYQVVIW-UHFFFAOYSA-N 1 0 396.922 3.848 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000619755595 872964688 /nfs/dbraw/zinc/96/46/88/872964688.db2.gz MVNSIUKZUPNKTM-FQEVSTJZSA-N 1 0 382.895 3.848 20 30 GHEDRO COc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755836 872967862 /nfs/dbraw/zinc/96/78/62/872967862.db2.gz VMLDLZNCQUNGQR-HXUWFJFHSA-N 1 0 381.867 3.733 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(-n4ccnc4)c(F)c3)CC2)cc1 ZINC000182913410 872984213 /nfs/dbraw/zinc/98/42/13/872984213.db2.gz QVJIIFQBXBZPQU-UHFFFAOYSA-N 1 0 375.451 3.960 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2ccsc2)c1C#N ZINC000619782517 872996579 /nfs/dbraw/zinc/99/65/79/872996579.db2.gz BAQDEUTTWJZYLJ-AWEZNQCLSA-N 1 0 382.489 3.969 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2[C@H](C)CCC[C@H]2C)c1C#N ZINC000182950155 872997737 /nfs/dbraw/zinc/99/77/37/872997737.db2.gz NCLLTNCDBISIEY-HUUCEWRRSA-N 1 0 382.508 3.971 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000478422501 873003329 /nfs/dbraw/zinc/00/33/29/873003329.db2.gz VEEFNPSGSCYWKC-UHFFFAOYSA-N 1 0 398.551 3.744 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001196312364 873006230 /nfs/dbraw/zinc/00/62/30/873006230.db2.gz NHYOVBQPPCMQCI-IBGZPJMESA-N 1 0 381.442 3.865 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000619770644 873007566 /nfs/dbraw/zinc/00/75/66/873007566.db2.gz JXPXKZUMOZZPSJ-DNVCBOLYSA-N 1 0 382.895 3.674 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2CCC)CC1 ZINC000541152623 873034497 /nfs/dbraw/zinc/03/44/97/873034497.db2.gz HSTHXXLVHQIXRH-UHFFFAOYSA-N 1 0 384.499 3.734 20 30 GHEDRO CCOc1ccc([C@H](NCC(=O)NC2(C#N)CCC2)c2cccc(Cl)c2)cc1 ZINC000527367739 873062764 /nfs/dbraw/zinc/06/27/64/873062764.db2.gz VFUPOIMENIPQRR-NRFANRHFSA-N 1 0 397.906 3.980 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000768221354 873173975 /nfs/dbraw/zinc/17/39/75/873173975.db2.gz PXDRPPIZXIUBMG-SPEDKVCISA-N 1 0 393.487 3.635 20 30 GHEDRO Cc1cc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)n(CCC#N)n1 ZINC000541302856 873321849 /nfs/dbraw/zinc/32/18/49/873321849.db2.gz NBQPSCHTKZWLLD-UHFFFAOYSA-N 1 0 387.487 3.990 20 30 GHEDRO CC(C)c1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000527619402 873359017 /nfs/dbraw/zinc/35/90/17/873359017.db2.gz NXHPLGKZIWAFLJ-UHFFFAOYSA-N 1 0 383.883 3.512 20 30 GHEDRO C#CCCCCCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC001168095768 873362070 /nfs/dbraw/zinc/36/20/70/873362070.db2.gz ALQIKJDJMWHOGS-FQEVSTJZSA-N 1 0 376.566 3.569 20 30 GHEDRO C[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000464182838 873366925 /nfs/dbraw/zinc/36/69/25/873366925.db2.gz GCFUOPDQZAKMBU-SFHVURJKSA-N 1 0 377.488 3.799 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000768692045 873500591 /nfs/dbraw/zinc/50/05/91/873500591.db2.gz JBFYVQVKMXVCGL-SJLPKXTDSA-N 1 0 391.471 3.532 20 30 GHEDRO COc1cc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC001197032315 873555061 /nfs/dbraw/zinc/55/50/61/873555061.db2.gz PBSVCEPYDKSSCM-VXKWHMMOSA-N 1 0 391.515 3.672 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)c1)O[C@@H](C)C2 ZINC000527811934 873599975 /nfs/dbraw/zinc/59/99/75/873599975.db2.gz OEWJZXOJCJBHJG-INIZCTEOSA-N 1 0 378.472 3.686 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000769026099 873749499 /nfs/dbraw/zinc/74/94/99/873749499.db2.gz SLCDRLSXLYLYHY-UHFFFAOYSA-N 1 0 384.426 3.719 20 30 GHEDRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CCCC#N)c1 ZINC000541554414 873856063 /nfs/dbraw/zinc/85/60/63/873856063.db2.gz FDQLNASOTNWWEM-UHFFFAOYSA-N 1 0 376.460 3.950 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)c2cccc(C#N)c2Br)([NH+](C)C)C1 ZINC000448766840 873909040 /nfs/dbraw/zinc/90/90/40/873909040.db2.gz FSKJLGVWLYZKRJ-FZKQIMNGSA-N 1 0 378.314 3.561 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](C(C)(C)O)C3)sc2C1 ZINC001197587293 873927171 /nfs/dbraw/zinc/92/71/71/873927171.db2.gz ATBVVRXXNSTKQH-HUUCEWRRSA-N 1 0 389.565 3.556 20 30 GHEDRO C[N@@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCC1(C)C ZINC001197702508 873989842 /nfs/dbraw/zinc/98/98/42/873989842.db2.gz WUTOEZRYZLONEE-UHFFFAOYSA-N 1 0 383.521 3.554 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001197703196 873990695 /nfs/dbraw/zinc/99/06/95/873990695.db2.gz LAZHILNDCJAARB-UHFFFAOYSA-N 1 0 376.529 3.778 20 30 GHEDRO C#CC[N@@H+](C[C@@H](OC)c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001197770329 874035377 /nfs/dbraw/zinc/03/53/77/874035377.db2.gz QRNGJDMKNUVFJS-HXUWFJFHSA-N 1 0 390.499 3.848 20 30 GHEDRO C#C[C@@H]([NH2+]CCCC(=O)Nc1c(CC)ccc(Cl)c1CC)[C@@H]1CCCO1 ZINC000775796139 874112363 /nfs/dbraw/zinc/11/23/63/874112363.db2.gz TYKDCBTVEMVKBL-MOPGFXCFSA-N 1 0 376.928 3.954 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)C2)nc1 ZINC000428812450 874113006 /nfs/dbraw/zinc/11/30/06/874113006.db2.gz YUBXRQCRXYQJFU-JOCHJYFZSA-N 1 0 386.455 3.581 20 30 GHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1cccc(C#N)c1 ZINC000769635880 874180620 /nfs/dbraw/zinc/18/06/20/874180620.db2.gz NWJBHLZRGMTUNE-YQQQUEKLSA-N 1 0 385.508 3.847 20 30 GHEDRO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000541772639 874268216 /nfs/dbraw/zinc/26/82/16/874268216.db2.gz DFVMJMMXYSXXSI-INIZCTEOSA-N 1 0 378.436 3.628 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000186781242 874283868 /nfs/dbraw/zinc/28/38/68/874283868.db2.gz ITARVVZKGINJBQ-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494689672 882825373 /nfs/dbraw/zinc/82/53/73/882825373.db2.gz XDEMNGPEWBYCAJ-HNNXBMFYSA-N 1 0 389.546 3.520 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCCCCCN2C(=O)C=CC2=O)cc1 ZINC001168106788 874441571 /nfs/dbraw/zinc/44/15/71/874441571.db2.gz WLTXTVIENJZSDW-NRFANRHFSA-N 1 0 381.520 3.907 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000528347672 874443399 /nfs/dbraw/zinc/44/33/99/874443399.db2.gz GKJRNHAWNWFKJD-SFHVURJKSA-N 1 0 393.512 3.787 20 30 GHEDRO C=C(Br)CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000770097273 874456381 /nfs/dbraw/zinc/45/63/81/874456381.db2.gz QECVDJLOVWMXNF-UHFFFAOYSA-N 1 0 380.330 3.991 20 30 GHEDRO CCOc1ccc(CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC001198524029 874460664 /nfs/dbraw/zinc/46/06/64/874460664.db2.gz BPNDDNSGLBNMQB-IBGZPJMESA-N 1 0 379.504 3.895 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000528402340 874519343 /nfs/dbraw/zinc/51/93/43/874519343.db2.gz DSFRVSFXMVDRIB-ZWKOTPCHSA-N 1 0 393.512 3.787 20 30 GHEDRO C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000464837216 874573133 /nfs/dbraw/zinc/57/31/33/874573133.db2.gz UCHRFOBKALRQNG-GOSISDBHSA-N 1 0 387.487 3.705 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000464830014 874595114 /nfs/dbraw/zinc/59/51/14/874595114.db2.gz NTOKYNLQJGDKQH-FCHUYYIVSA-N 1 0 387.483 3.835 20 30 GHEDRO C=CCc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc(OC)c1O ZINC000770384921 874626865 /nfs/dbraw/zinc/62/68/65/874626865.db2.gz GNNCVKGCLVLDOA-WBVHZDCISA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1Cl ZINC000770390960 874642520 /nfs/dbraw/zinc/64/25/20/874642520.db2.gz MXVNLVSXOIEONV-MJGOQNOKSA-N 1 0 375.900 3.726 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)CC2CCCC2)c1=S ZINC000746505005 874668823 /nfs/dbraw/zinc/66/88/23/874668823.db2.gz WUAOEYNDKZGQRM-UHFFFAOYSA-N 1 0 377.602 3.708 20 30 GHEDRO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542015830 874770339 /nfs/dbraw/zinc/77/03/39/874770339.db2.gz UBJLKJREVNBYSM-MRXNPFEDSA-N 1 0 378.476 3.502 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000464967553 874840374 /nfs/dbraw/zinc/84/03/74/874840374.db2.gz IXYBUADSQIRJPN-FQEVSTJZSA-N 1 0 375.472 3.968 20 30 GHEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000609144624 874845889 /nfs/dbraw/zinc/84/58/89/874845889.db2.gz LNUPKOWNVMJTOE-GOSISDBHSA-N 1 0 388.515 3.802 20 30 GHEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000449445439 874866932 /nfs/dbraw/zinc/86/69/32/874866932.db2.gz IHHANKOLCCMBRC-RXQRSOPUSA-N 1 0 389.927 3.818 20 30 GHEDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000804459767 882876149 /nfs/dbraw/zinc/87/61/49/882876149.db2.gz CZIQOOWBJDJTKG-LJQANCHMSA-N 1 0 378.472 3.739 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1OC ZINC000178235528 882877274 /nfs/dbraw/zinc/87/72/74/882877274.db2.gz BWUHWFKEVHKHGF-UYAOXDASSA-N 1 0 399.535 3.647 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c1C#N ZINC000475727920 882882462 /nfs/dbraw/zinc/88/24/62/882882462.db2.gz QSRCYCSZOVFRKG-HLLBOEOZSA-N 1 0 382.508 3.923 20 30 GHEDRO C=CCC[C@@H](CC)[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449516664 874985725 /nfs/dbraw/zinc/98/57/25/874985725.db2.gz HBPLDCVTSVUTLI-PKOBYXMFSA-N 1 0 378.582 3.950 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449520074 874992578 /nfs/dbraw/zinc/99/25/78/874992578.db2.gz FASSHTCPWJJMAQ-UHFFFAOYSA-N 1 0 393.531 3.964 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000449521945 874995359 /nfs/dbraw/zinc/99/53/59/874995359.db2.gz UCPWILIXUNLMIV-MOPGFXCFSA-N 1 0 384.432 3.616 20 30 GHEDRO Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c(Cl)c1 ZINC000528779966 875052153 /nfs/dbraw/zinc/05/21/53/875052153.db2.gz ZWDMZMLOUIBRFV-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCC(=O)N3CCCc4ccccc43)CCOCC2)cc1 ZINC000528786049 875058692 /nfs/dbraw/zinc/05/86/92/875058692.db2.gz UQYIUZITJFGQQM-UHFFFAOYSA-N 1 0 389.499 3.523 20 30 GHEDRO CN(C)c1cc(F)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1F ZINC000858158623 882895519 /nfs/dbraw/zinc/89/55/19/882895519.db2.gz NTXAXUSXZPDISU-UHFFFAOYSA-N 1 0 386.446 3.777 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)C1 ZINC000122502559 875210149 /nfs/dbraw/zinc/21/01/49/875210149.db2.gz MLBMDPPJRUGGAV-GCJKJVERSA-N 1 0 391.515 3.940 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000776089412 875324263 /nfs/dbraw/zinc/32/42/63/875324263.db2.gz YUOKRLFPXZISLI-HXUWFJFHSA-N 1 0 377.488 3.732 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000449844124 875506186 /nfs/dbraw/zinc/50/61/86/875506186.db2.gz KDYYOUOXIMBZJY-UHFFFAOYSA-N 1 0 375.669 3.622 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC([NH+]3CCCC3)CC2)c(Br)c1 ZINC001201121863 875536388 /nfs/dbraw/zinc/53/63/88/875536388.db2.gz ZIWWXLXJDOIKSL-UHFFFAOYSA-N 1 0 393.354 3.578 20 30 GHEDRO CNC(=O)c1cc(C#N)cc(C)c1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201481920 875733001 /nfs/dbraw/zinc/73/30/01/875733001.db2.gz OSBQJQLJCWIBTK-RTWAWAEBSA-N 1 0 386.499 3.959 20 30 GHEDRO CCCCCCCCCCC[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001201631030 875774628 /nfs/dbraw/zinc/77/46/28/875774628.db2.gz LGKWVDVZAYGYAY-FQEVSTJZSA-N 1 0 382.589 3.903 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CCCCC1 ZINC000449989104 875779353 /nfs/dbraw/zinc/77/93/53/875779353.db2.gz ODVLAPIWMXDQFH-UHFFFAOYSA-N 1 0 385.552 3.778 20 30 GHEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000491558636 875801784 /nfs/dbraw/zinc/80/17/84/875801784.db2.gz SRDUAAGOPWEIGE-GOSISDBHSA-N 1 0 392.503 3.890 20 30 GHEDRO N#C[C@@]1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC12CCCC2 ZINC000450019694 875827586 /nfs/dbraw/zinc/82/75/86/875827586.db2.gz CKXHFBRFDCYYFA-ISKFKSNPSA-N 1 0 377.532 3.975 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000549902284 875828571 /nfs/dbraw/zinc/82/85/71/875828571.db2.gz QEZUROCRYUFCHO-LSDHHAIUSA-N 1 0 377.423 3.561 20 30 GHEDRO CCCCCCC[N@@H+]1CCCO[C@]2(COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001201762583 875847152 /nfs/dbraw/zinc/84/71/52/875847152.db2.gz QBTZSAVRSNQKAT-OAQYLSRUSA-N 1 0 384.561 3.685 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000450047650 875889464 /nfs/dbraw/zinc/88/94/64/875889464.db2.gz MPVBIAOCLRGDON-CVDCTZTESA-N 1 0 378.516 3.821 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1[nH]c(C)c(C)c1C#N)[C@@H](C)Cc1ccc(O)cc1 ZINC001183047373 912217318 /nfs/dbraw/zinc/21/73/18/912217318.db2.gz DFPVHWJDBCFKQF-HNNXBMFYSA-N 1 0 382.508 3.881 20 30 GHEDRO Cn1cc(C(=O)C(C(=S)Nc2cccc3ccccc32)[n+]2ccccc2)cn1 ZINC000151906782 876087650 /nfs/dbraw/zinc/08/76/50/876087650.db2.gz XPQQQSNICCSAGX-UHFFFAOYSA-O 1 0 387.488 3.912 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000858290018 883004091 /nfs/dbraw/zinc/00/40/91/883004091.db2.gz OWIWOVKOWXXZRQ-LJQANCHMSA-N 1 0 399.535 3.801 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271949448 876145577 /nfs/dbraw/zinc/14/55/77/876145577.db2.gz OJOUEAKPCAYDMU-HNNXBMFYSA-N 1 0 389.496 3.579 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000151930713 876169993 /nfs/dbraw/zinc/16/99/93/876169993.db2.gz ALBBFTYAVHCJBS-UHFFFAOYSA-O 1 0 391.520 3.556 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H](O)c2cc(Cl)ccc2OC)cc1OC ZINC001202397694 876199126 /nfs/dbraw/zinc/19/91/26/876199126.db2.gz LAOFNIQJFXTBHT-KRWDZBQOSA-N 1 0 377.868 3.745 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000450411955 876396931 /nfs/dbraw/zinc/39/69/31/876396931.db2.gz YKVMXPAGMCFELJ-UHFFFAOYSA-N 1 0 377.330 3.808 20 30 GHEDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000786104022 876447326 /nfs/dbraw/zinc/44/73/26/876447326.db2.gz HPCKVAUUPZTHMI-UHFFFAOYSA-N 1 0 395.421 3.635 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc(OC)c1OC ZINC000850118839 876680944 /nfs/dbraw/zinc/68/09/44/876680944.db2.gz KKGBCEYWWHOZGI-OAQYLSRUSA-N 1 0 383.488 3.890 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ncc(Cl)c(C)c3C#N)CC2)cc1 ZINC000450785910 876887723 /nfs/dbraw/zinc/88/77/23/876887723.db2.gz ONMGPSTZYJRCDA-UHFFFAOYSA-N 1 0 397.910 3.950 20 30 GHEDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000850417370 876897426 /nfs/dbraw/zinc/89/74/26/876897426.db2.gz UYYLWMBEBWFATB-KRWDZBQOSA-N 1 0 397.523 3.809 20 30 GHEDRO CCOC(=O)NC1CCC([NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)CC1 ZINC000850444151 876927085 /nfs/dbraw/zinc/92/70/85/876927085.db2.gz VKLUVUYAXPKFGI-DAWZGUTISA-N 1 0 389.496 3.523 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850467211 876946191 /nfs/dbraw/zinc/94/61/91/876946191.db2.gz SNTYDZFYLMLUSN-OLMNPRSZSA-N 1 0 382.426 3.593 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000121370544 876954440 /nfs/dbraw/zinc/95/44/40/876954440.db2.gz ZDSYFZNVVOIUCA-INIZCTEOSA-N 1 0 379.460 3.534 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](COC)C2)cc1OCC ZINC000537629247 883101717 /nfs/dbraw/zinc/10/17/17/883101717.db2.gz OGJNAJLLSJFTBP-AWEZNQCLSA-N 1 0 384.314 3.881 20 30 GHEDRO C#CC[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000373451819 877263110 /nfs/dbraw/zinc/26/31/10/877263110.db2.gz DWVOVNZURKATGJ-CTWPCTMYSA-N 1 0 393.453 3.856 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCCC1)C(=O)N(C)CCC#N ZINC000610008692 877282658 /nfs/dbraw/zinc/28/26/58/877282658.db2.gz NFCGBGVXHUUJFP-OAHLLOKOSA-N 1 0 392.341 3.611 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000272080571 877313376 /nfs/dbraw/zinc/31/33/76/877313376.db2.gz ATMJJFQJRKTWMJ-UHFFFAOYSA-N 1 0 386.503 3.634 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(C2CC2)c1 ZINC000451114244 877377715 /nfs/dbraw/zinc/37/77/15/877377715.db2.gz KRDINGVXDVXXSE-INIZCTEOSA-N 1 0 385.471 3.911 20 30 GHEDRO COc1ccc([C@H](CNC(=O)NCC#Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000642628073 912227794 /nfs/dbraw/zinc/22/77/94/912227794.db2.gz ZHFRDIRJOIWMHO-QHCPKHFHSA-N 1 0 391.515 3.573 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCOC2)O1 ZINC000530281409 877443592 /nfs/dbraw/zinc/44/35/92/877443592.db2.gz VKJGKDDPLQSVQF-WZONZLPQSA-N 1 0 378.472 3.517 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000610134140 877449994 /nfs/dbraw/zinc/44/99/94/877449994.db2.gz MRHZENKCQVKAIS-SFTDATJTSA-N 1 0 383.536 3.624 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N[C@@H](c1nc2ccccc2n1CC)c1ccccc1 ZINC001183092275 912239022 /nfs/dbraw/zinc/23/90/22/912239022.db2.gz WPLFCURMWXLJGX-JOCHJYFZSA-N 1 0 388.515 3.914 20 30 GHEDRO N#CCCN(C(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000477412815 877588185 /nfs/dbraw/zinc/58/81/85/877588185.db2.gz OYWUJPSDHOVDIS-UHFFFAOYSA-N 1 0 398.304 3.975 20 30 GHEDRO CC[N@H+](CCCC(=O)NC1=CC(=O)CC(C)(C)C1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183059385 912253470 /nfs/dbraw/zinc/25/34/70/912253470.db2.gz XACZPONPRQMRQE-KRWDZBQOSA-N 1 0 386.536 3.815 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)C[C@@H](C#N)c2c(Cl)cccc2Cl)CC1 ZINC001183121682 912265936 /nfs/dbraw/zinc/26/59/36/912265936.db2.gz QYUGUIFPLMQOJG-AWEZNQCLSA-N 1 0 398.334 3.608 20 30 GHEDRO N#Cc1ncc(Br)cc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000787893898 877722149 /nfs/dbraw/zinc/72/21/49/877722149.db2.gz DXTVIOKDKITMBJ-UHFFFAOYSA-N 1 0 389.272 3.567 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(Cl)c1 ZINC000179604610 877755678 /nfs/dbraw/zinc/75/56/78/877755678.db2.gz UUCYFRQSQAYFIQ-UHFFFAOYSA-N 1 0 393.878 3.861 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)o2)cc1 ZINC000285415297 912282186 /nfs/dbraw/zinc/28/21/86/912282186.db2.gz BOWJVWKQHJYPQS-NJDAHSKKSA-N 1 0 386.455 3.613 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245430890 877867632 /nfs/dbraw/zinc/86/76/32/877867632.db2.gz AJNAMOODRMNIFK-NHCUHLMSSA-N 1 0 384.568 3.602 20 30 GHEDRO COc1ccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1C#N ZINC000746734413 877914701 /nfs/dbraw/zinc/91/47/01/877914701.db2.gz SKQHXFDINDZHPC-UHFFFAOYSA-N 1 0 385.261 3.895 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C#N)c3c(Cl)cccc3Cl)C[C@H]2C1 ZINC001183110465 912293065 /nfs/dbraw/zinc/29/30/65/912293065.db2.gz DBVPEYDDLAMVDR-KFWWJZLASA-N 1 0 380.319 3.791 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc1 ZINC000492992068 877961846 /nfs/dbraw/zinc/96/18/46/877961846.db2.gz KKBQAJDXCVLXKP-LJQANCHMSA-N 1 0 384.911 3.900 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000451477672 877990982 /nfs/dbraw/zinc/99/09/82/877990982.db2.gz IDSRZYWOMVQDOA-ATZDWAIDSA-N 1 0 387.549 3.814 20 30 GHEDRO N#Cc1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cnc1C(F)(F)F ZINC000551927678 878033149 /nfs/dbraw/zinc/03/31/49/878033149.db2.gz LZVBTTGMCYXTJG-UHFFFAOYSA-N 1 0 388.393 3.863 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000852101559 878075620 /nfs/dbraw/zinc/07/56/20/878075620.db2.gz QQWHIDINBJAHMK-HOYKHHGWSA-N 1 0 391.515 3.850 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000852101322 878075659 /nfs/dbraw/zinc/07/56/59/878075659.db2.gz QIZASMAMWLPHNC-HSZRJFAPSA-N 1 0 393.487 3.668 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772722495 878184018 /nfs/dbraw/zinc/18/40/18/878184018.db2.gz NMVMCFJDDFMSJP-LJQANCHMSA-N 1 0 386.536 3.645 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000176317684 878209280 /nfs/dbraw/zinc/20/92/80/878209280.db2.gz DHNHAFGREADEPS-QAPCUYQASA-N 1 0 390.325 3.785 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000852301594 878214923 /nfs/dbraw/zinc/21/49/23/878214923.db2.gz UUUWLMJULPGMGH-LJQANCHMSA-N 1 0 384.524 3.812 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](Cc3ccncc3C#N)C2)CC1 ZINC000852301871 878217625 /nfs/dbraw/zinc/21/76/25/878217625.db2.gz ZLJSDDIGXZQLAQ-SFHVURJKSA-N 1 0 384.524 3.812 20 30 GHEDRO Cn1cc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000852307508 878222017 /nfs/dbraw/zinc/22/20/17/878222017.db2.gz XTXVWLXEQWSGHU-UHFFFAOYSA-N 1 0 397.523 3.694 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000852318814 878235392 /nfs/dbraw/zinc/23/53/92/878235392.db2.gz CCBIIEVDYWSRHT-NHCUHLMSSA-N 1 0 378.472 3.533 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cnc(Cl)cc3OC)CC2)C1=O ZINC001275110864 912325360 /nfs/dbraw/zinc/32/53/60/912325360.db2.gz GJNAAEAHWPOIIY-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000068310442 878285764 /nfs/dbraw/zinc/28/57/64/878285764.db2.gz MCVMZVUUMYIWAL-PMACEKPBSA-N 1 0 381.907 3.906 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000245670130 878334600 /nfs/dbraw/zinc/33/46/00/878334600.db2.gz RXQYWGHXEPALCS-NZQKXSOJSA-N 1 0 379.504 3.913 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1F ZINC000852476198 878360451 /nfs/dbraw/zinc/36/04/51/878360451.db2.gz HTWORVFSCCKEFI-FUHWJXTLSA-N 1 0 397.416 3.853 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@]2(C1)CN(C[C@@H](C)CC(F)(F)F)C(=O)CO2 ZINC001275115322 912339168 /nfs/dbraw/zinc/33/91/68/912339168.db2.gz VQSLWXVSRMEFSQ-WMZOPIPTSA-N 1 0 378.479 3.849 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180022950 878387198 /nfs/dbraw/zinc/38/71/98/878387198.db2.gz GLMBRROZIFADFL-IEBWSBKVSA-N 1 0 378.476 3.764 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000530725830 878393690 /nfs/dbraw/zinc/39/36/90/878393690.db2.gz KFVRSKFIEYSVCM-ZLNRFVROSA-N 1 0 388.515 3.592 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)c3ccc(C(F)(F)F)cc3)CCOCC2)c1 ZINC000852562181 878426093 /nfs/dbraw/zinc/42/60/93/878426093.db2.gz CGNNROXLYCSJQF-IBGZPJMESA-N 1 0 390.405 3.906 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451778205 878460290 /nfs/dbraw/zinc/46/02/90/878460290.db2.gz DCIRCKJMHJDZPZ-CVEARBPZSA-N 1 0 377.554 3.606 20 30 GHEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852605076 878461519 /nfs/dbraw/zinc/46/15/19/878461519.db2.gz XFNCVADHRYSSTA-MSOLQXFVSA-N 1 0 379.545 3.712 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc(OC)c1O ZINC000788972607 878478546 /nfs/dbraw/zinc/47/85/46/878478546.db2.gz BGLIMEGQEKJVJH-FQEVSTJZSA-N 1 0 394.515 3.950 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)c1C#N ZINC000852728410 878553842 /nfs/dbraw/zinc/55/38/42/878553842.db2.gz BNWSYEIHAMHNSF-PMACEKPBSA-N 1 0 386.879 3.846 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731399 878561763 /nfs/dbraw/zinc/56/17/63/878561763.db2.gz IXYZBCCSOYAZOC-SNRMKQJTSA-N 1 0 391.943 3.719 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460788877 878565354 /nfs/dbraw/zinc/56/53/54/878565354.db2.gz AQUYMBBZAPSXKA-WMZOPIPTSA-N 1 0 399.514 3.806 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc2c(c1)CCCO2 ZINC000852780959 878594402 /nfs/dbraw/zinc/59/44/02/878594402.db2.gz MYHGSWXHIIWQAA-BEFAXECRSA-N 1 0 398.466 3.899 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000852835763 878626241 /nfs/dbraw/zinc/62/62/41/878626241.db2.gz KTSGZUOEHGGODO-UHFFFAOYSA-N 1 0 378.438 3.980 20 30 GHEDRO COc1ccccc1[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000852845240 878631991 /nfs/dbraw/zinc/63/19/91/878631991.db2.gz DZMLNHPNTQZHQF-QFIPXVFZSA-N 1 0 382.891 3.557 20 30 GHEDRO N#Cc1cc(F)ccc1C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452024097 878844395 /nfs/dbraw/zinc/84/43/95/878844395.db2.gz OXASMLNUVORTNV-RBUKOAKNSA-N 1 0 377.385 3.817 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460937112 878857894 /nfs/dbraw/zinc/85/78/94/878857894.db2.gz NHMIHZSKEAVMAX-UHFFFAOYSA-N 1 0 397.567 3.882 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853211418 878891964 /nfs/dbraw/zinc/89/19/64/878891964.db2.gz VBTGVIHJPLIKON-KPZWWZAWSA-N 1 0 392.377 3.589 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2)sc2c1CCCCC2 ZINC000538128202 878905533 /nfs/dbraw/zinc/90/55/33/878905533.db2.gz LFZXHNQLPSJZHE-SFHVURJKSA-N 1 0 383.517 3.540 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)cc1 ZINC000538257530 879134908 /nfs/dbraw/zinc/13/49/08/879134908.db2.gz YYPXJRQWXYJHHN-DEOSSOPVSA-N 1 0 399.494 3.722 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3cc4cccc(Cl)c4nc3Cl)C2)C1=O ZINC001275152356 912429343 /nfs/dbraw/zinc/42/93/43/912429343.db2.gz JYQVZYBVYIEDRH-HXUWFJFHSA-N 1 0 388.298 3.599 20 30 GHEDRO CCCCCCCCOc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000789768594 879249044 /nfs/dbraw/zinc/24/90/44/879249044.db2.gz JQJQVVXZPIXFIL-QFIPXVFZSA-N 1 0 387.524 3.600 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000772745538 879306251 /nfs/dbraw/zinc/30/62/51/879306251.db2.gz MAECGMNYTREPGT-LPHOPBHVSA-N 1 0 398.617 3.621 20 30 GHEDRO C[N@H+](CC1(c2ccc(Br)cc2)CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152598718 879448169 /nfs/dbraw/zinc/44/81/69/879448169.db2.gz LFBGCSSAFJNMSB-SFHVURJKSA-N 1 0 398.304 3.511 20 30 GHEDRO COC(=O)CCN(Cc1ccccc1)Cc1cc(C#N)ccc1Br ZINC000617196058 879499913 /nfs/dbraw/zinc/49/99/13/879499913.db2.gz IBTJHERQWJMTSE-UHFFFAOYSA-N 1 0 387.277 3.886 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1O ZINC000112013659 879638655 /nfs/dbraw/zinc/63/86/55/879638655.db2.gz QOVISQKZRWOUKY-UHFFFAOYSA-N 1 0 380.488 3.980 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C)C1CC[NH+](C)CC1 ZINC000914342272 879660637 /nfs/dbraw/zinc/66/06/37/879660637.db2.gz STCBFGSOENLIME-QGZVFWFLSA-N 1 0 396.560 3.919 20 30 GHEDRO O=C(NCC#Cc1ccccc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000493864603 879682156 /nfs/dbraw/zinc/68/21/56/879682156.db2.gz OYZKKMABPZETJM-OAQYLSRUSA-N 1 0 386.417 3.609 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000265967433 879809638 /nfs/dbraw/zinc/80/96/38/879809638.db2.gz KFEUNFPCOLZDIH-QFBILLFUSA-O 1 0 399.584 3.767 20 30 GHEDRO C=C(C)COCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000494020107 879829370 /nfs/dbraw/zinc/82/93/70/879829370.db2.gz LHAIGWPAYWWJNF-JOCHJYFZSA-N 1 0 387.545 3.979 20 30 GHEDRO N#Cc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000461446747 879833673 /nfs/dbraw/zinc/83/36/73/879833673.db2.gz PVZKJNPIIWKUFD-SFHVURJKSA-N 1 0 387.443 3.513 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc3[nH]ccc32)c(OC)c1 ZINC000494061711 879868252 /nfs/dbraw/zinc/86/82/52/879868252.db2.gz YPIAJTHJYGHHHC-LJQANCHMSA-N 1 0 380.488 3.777 20 30 GHEDRO N#CCn1c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc2ccccc21 ZINC000609165321 879931651 /nfs/dbraw/zinc/93/16/51/879931651.db2.gz URLWYCVFNCCGHM-UHFFFAOYSA-N 1 0 390.462 3.698 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000854739856 880031684 /nfs/dbraw/zinc/03/16/84/880031684.db2.gz YEVXSMAOFYMUNN-HSZRJFAPSA-N 1 0 376.504 3.524 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000140777574 880033228 /nfs/dbraw/zinc/03/32/28/880033228.db2.gz HSTGRGQVXBIZPX-QZTJIDSGSA-N 1 0 375.538 3.766 20 30 GHEDRO N#CCn1c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2ccccc21 ZINC000609175365 880158317 /nfs/dbraw/zinc/15/83/17/880158317.db2.gz RUNMBNNAXMVTIZ-IBGZPJMESA-N 1 0 378.520 3.893 20 30 GHEDRO Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000286075646 912559616 /nfs/dbraw/zinc/55/96/16/912559616.db2.gz MTGFFJPQHGLTRK-UHFFFAOYSA-N 1 0 384.867 3.663 20 30 GHEDRO N#C[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000855299656 880416503 /nfs/dbraw/zinc/41/65/03/880416503.db2.gz NKBKCVPLBQHYAH-XMMPIXPASA-N 1 0 388.515 3.765 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453437342 880897197 /nfs/dbraw/zinc/89/71/97/880897197.db2.gz IXKHTYTUZISAJF-UHFFFAOYSA-N 1 0 397.445 3.886 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453455083 880949462 /nfs/dbraw/zinc/94/94/62/880949462.db2.gz RWIVCJCJUODIMB-UHFFFAOYSA-N 1 0 383.540 3.662 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000453468610 880977803 /nfs/dbraw/zinc/97/78/03/880977803.db2.gz UWZRIQLDEDUDDP-IHPCNDPISA-N 1 0 385.556 3.549 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000453470859 880981894 /nfs/dbraw/zinc/98/18/94/880981894.db2.gz REVWPLPRDOREQV-WOJBJXKFSA-N 1 0 387.572 3.654 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453449566 881002519 /nfs/dbraw/zinc/00/25/19/881002519.db2.gz FEBIHNLWPCXYEU-ZHALLVOQSA-N 1 0 385.581 3.673 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453449927 881004513 /nfs/dbraw/zinc/00/45/13/881004513.db2.gz GHYHXLOEOQHBPR-QYZOEREBSA-N 1 0 389.588 3.692 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN2Cc2cc(F)c(C)c(Br)c2)C1=O ZINC001275212805 912645816 /nfs/dbraw/zinc/64/58/16/912645816.db2.gz LUEKKRIGHDCAOK-SFHVURJKSA-N 1 0 381.289 3.650 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494225794 881274124 /nfs/dbraw/zinc/27/41/24/881274124.db2.gz CQYPSSWDCYGGEY-HKUYNNGSSA-N 1 0 375.806 3.551 20 30 GHEDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000856477972 881276938 /nfs/dbraw/zinc/27/69/38/881276938.db2.gz VWDABZPNRQBNEB-OAQYLSRUSA-N 1 0 390.531 3.818 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H](C)C1 ZINC000476793306 883134593 /nfs/dbraw/zinc/13/45/93/883134593.db2.gz LOCWBACVZZVRIX-XJKSGUPXSA-N 1 0 398.429 3.693 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccc(OCC#N)cc1 ZINC000858519690 883168876 /nfs/dbraw/zinc/16/88/76/883168876.db2.gz JHINMDFBUVAPNY-ACJLOTCBSA-N 1 0 387.842 3.838 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000064361804 883205406 /nfs/dbraw/zinc/20/54/06/883205406.db2.gz JZQSAEUYGDFYDK-UHFFFAOYSA-N 1 0 392.714 3.720 20 30 GHEDRO C[C@](C#N)(CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000609523700 883313385 /nfs/dbraw/zinc/31/33/85/883313385.db2.gz FPAWNZIRBRSNLM-XMMPIXPASA-N 1 0 375.516 3.930 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000609514184 883313539 /nfs/dbraw/zinc/31/35/39/883313539.db2.gz HLKDKXOJKOXBGE-UHFFFAOYSA-N 1 0 375.472 3.902 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000609574395 883357576 /nfs/dbraw/zinc/35/75/76/883357576.db2.gz TUFMTXMUOGSMNZ-NWDGAFQWSA-N 1 0 383.473 3.515 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000609599652 883402530 /nfs/dbraw/zinc/40/25/30/883402530.db2.gz JWYBXDKDYJKHSD-UHFFFAOYSA-N 1 0 391.338 3.650 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609610292 883421950 /nfs/dbraw/zinc/42/19/50/883421950.db2.gz SJZDAWILLIHADF-UNWVZKJWSA-N 1 0 394.563 3.640 20 30 GHEDRO C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C1CC[NH+](C)CC1 ZINC000609630147 883486296 /nfs/dbraw/zinc/48/62/96/883486296.db2.gz MMMYNUJTNKLLAT-KRWDZBQOSA-N 1 0 377.488 3.597 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000551210987 883488802 /nfs/dbraw/zinc/48/88/02/883488802.db2.gz LYPDNDULVQAUIY-KRWDZBQOSA-N 1 0 376.504 3.580 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H](Nc3ccc(CC[NH+]4CCCCC4)cc3)C2=O)cc1 ZINC000609633555 883489733 /nfs/dbraw/zinc/48/97/33/883489733.db2.gz CQVOIDXTSIJQJO-HSZRJFAPSA-N 1 0 388.515 3.804 20 30 GHEDRO CC(C)[NH+](CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(C)C ZINC000609659223 883498021 /nfs/dbraw/zinc/49/80/21/883498021.db2.gz ZCUBLLYHSBHHTL-UHFFFAOYSA-N 1 0 379.504 3.986 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000609659698 883500915 /nfs/dbraw/zinc/50/09/15/883500915.db2.gz OFGCDBPXBCHKJT-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193788515 883502395 /nfs/dbraw/zinc/50/23/95/883502395.db2.gz JUJYEZMECCHUPO-LJQANCHMSA-N 1 0 380.488 3.512 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000609664500 883508634 /nfs/dbraw/zinc/50/86/34/883508634.db2.gz LDPZAHHAKSNTKK-IBGZPJMESA-N 1 0 377.488 3.959 20 30 GHEDRO CC(C)(C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1cc(F)cc(C#N)c1 ZINC001130125078 883678082 /nfs/dbraw/zinc/67/80/82/883678082.db2.gz WEQDYMQRPNVJOY-KNQAVFIVSA-N 1 0 391.490 3.708 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000609833226 883711246 /nfs/dbraw/zinc/71/12/46/883711246.db2.gz CCRGQBUWJPEXRY-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO O=C1C=COC2(CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)C1 ZINC000897602078 884051262 /nfs/dbraw/zinc/05/12/62/884051262.db2.gz DKWJGFNZEQOOIL-UHFFFAOYSA-N 1 0 379.456 3.809 20 30 GHEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000760409548 884069828 /nfs/dbraw/zinc/06/98/28/884069828.db2.gz SVNMQBSUIIXSPN-FQEVSTJZSA-N 1 0 382.508 3.571 20 30 GHEDRO COc1cc(C[NH+]2CCC(C3(O)CC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000593051649 884128586 /nfs/dbraw/zinc/12/85/86/884128586.db2.gz TUHNIVSOSLXSDE-UHFFFAOYSA-N 1 0 392.499 3.883 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@@H](O)C(F)(F)F ZINC000498349841 884140232 /nfs/dbraw/zinc/14/02/32/884140232.db2.gz LKYVSZNHLDJTJR-RBUKOAKNSA-N 1 0 378.394 3.929 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000498361390 884154888 /nfs/dbraw/zinc/15/48/88/884154888.db2.gz ATPNJKPMMPACSJ-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CC[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000494999436 884338165 /nfs/dbraw/zinc/33/81/65/884338165.db2.gz OJEDZCJRAGKDGK-QHCPKHFHSA-N 1 0 377.532 3.675 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000127571795 884398018 /nfs/dbraw/zinc/39/80/18/884398018.db2.gz SMVKMLXNXZALBS-IRXDYDNUSA-N 1 0 392.503 3.718 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000102803095 884467331 /nfs/dbraw/zinc/46/73/31/884467331.db2.gz IUFUUEBVIRQKJW-UHFFFAOYSA-N 1 0 380.439 3.793 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495070957 884482073 /nfs/dbraw/zinc/48/20/73/884482073.db2.gz WVJJGFNOEDBFDL-GCJKJVERSA-N 1 0 387.545 3.516 20 30 GHEDRO C=CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000250123670 884548606 /nfs/dbraw/zinc/54/86/06/884548606.db2.gz VUFITHVIUYDJBX-XZOQPEGZSA-N 1 0 378.516 3.619 20 30 GHEDRO C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2CCCCN2Cc2ccccc2C#N)CC1(C)C ZINC001183840432 912844149 /nfs/dbraw/zinc/84/41/49/912844149.db2.gz FVDSCSAQCCPDET-NRFANRHFSA-N 1 0 396.579 3.680 20 30 GHEDRO COc1ccccc1[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000102990372 884667528 /nfs/dbraw/zinc/66/75/28/884667528.db2.gz OEJQXYIXARSWAJ-SFHVURJKSA-N 1 0 379.504 3.651 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H]1C ZINC000498565709 884851108 /nfs/dbraw/zinc/85/11/08/884851108.db2.gz DASHCMGPQFEQDC-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)OCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000777148700 884904655 /nfs/dbraw/zinc/90/46/55/884904655.db2.gz JBQYNCWHZPMBLT-UHFFFAOYSA-N 1 0 375.472 3.905 20 30 GHEDRO N#Cc1cccc(CCNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000466812543 912877294 /nfs/dbraw/zinc/87/72/94/912877294.db2.gz APQRBZYNLIDWGA-UHFFFAOYSA-N 1 0 376.504 3.951 20 30 GHEDRO CC(=NNc1cc(CO)ccc1Br)c1ccc(C[NH+](C)C)cc1 ZINC000841655585 884956363 /nfs/dbraw/zinc/95/63/63/884956363.db2.gz WLBBWNALUIHSSE-UHFFFAOYSA-N 1 0 376.298 3.839 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)CC1 ZINC000106268526 885022803 /nfs/dbraw/zinc/02/28/03/885022803.db2.gz HYLNMVQVVFGSSC-UHFFFAOYSA-N 1 0 398.482 3.853 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3ccc(OC)cc3)CC2)CC1 ZINC000106275501 885025441 /nfs/dbraw/zinc/02/54/41/885025441.db2.gz MHJHFUKFYJUHML-UHFFFAOYSA-N 1 0 385.552 3.700 20 30 GHEDRO CC1(C#N)CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000612177710 885082660 /nfs/dbraw/zinc/08/26/60/885082660.db2.gz UJSVATYYCBXBBY-NJDAHSKKSA-N 1 0 380.536 3.622 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccsc1 ZINC000465550443 885105599 /nfs/dbraw/zinc/10/55/99/885105599.db2.gz XLTFXIOANHFDBZ-HSALFYBXSA-N 1 0 382.533 3.832 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537561882 885419219 /nfs/dbraw/zinc/41/92/19/885419219.db2.gz PDGXVPUJLCNKBJ-HKUYNNGSSA-N 1 0 387.572 3.845 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000915083341 885707323 /nfs/dbraw/zinc/70/73/23/885707323.db2.gz JWUVUIMUSMWINA-LJQANCHMSA-N 1 0 382.508 3.737 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)c1 ZINC000861731714 885799456 /nfs/dbraw/zinc/79/94/56/885799456.db2.gz GWBKALOZDUAWCW-UHFFFAOYSA-N 1 0 392.503 3.755 20 30 GHEDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000532486690 885820971 /nfs/dbraw/zinc/82/09/71/885820971.db2.gz IXCMDLJGTKVAOL-HNNXBMFYSA-N 1 0 394.431 3.848 20 30 GHEDRO N#CC1(CCC[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CCOCC1 ZINC000282043787 885844259 /nfs/dbraw/zinc/84/42/59/885844259.db2.gz REBUCOZQZUMJKL-UHFFFAOYSA-N 1 0 376.447 3.960 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532554353 886041049 /nfs/dbraw/zinc/04/10/49/886041049.db2.gz ITLKPMKFPZUXPR-DEOSSOPVSA-N 1 0 388.559 3.827 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1=S ZINC000808191043 886084706 /nfs/dbraw/zinc/08/47/06/886084706.db2.gz LSRLIYKLLOSRMI-UYAOXDASSA-N 1 0 397.592 3.707 20 30 GHEDRO C#CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000862100516 886108760 /nfs/dbraw/zinc/10/87/60/886108760.db2.gz VPKCXYOGRLKICM-NHCUHLMSSA-N 1 0 378.541 3.836 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000056552981 886266227 /nfs/dbraw/zinc/26/62/27/886266227.db2.gz HSHVCQAGIVDHRS-UHFFFAOYSA-N 1 0 398.551 3.887 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)CC1 ZINC000919746063 886273456 /nfs/dbraw/zinc/27/34/56/886273456.db2.gz DYNVNXHGELKBHD-UHFFFAOYSA-N 1 0 388.446 3.759 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)cc(OC)c1O ZINC000808427140 886312827 /nfs/dbraw/zinc/31/28/27/886312827.db2.gz XCZMFRCPYQNSEC-KRWDZBQOSA-N 1 0 381.394 3.971 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000056758274 886367926 /nfs/dbraw/zinc/36/79/26/886367926.db2.gz WLUVKJKTUCNFSR-RTBURBONSA-N 1 0 398.551 3.743 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000862482878 886399832 /nfs/dbraw/zinc/39/98/32/886399832.db2.gz MKAUFHFRJPNOIP-DEOSSOPVSA-N 1 0 386.499 3.947 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)C2)c(F)c1 ZINC000237916065 886425998 /nfs/dbraw/zinc/42/59/98/886425998.db2.gz WIISBWYEGYKQNX-LJQANCHMSA-N 1 0 393.441 3.985 20 30 GHEDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000556887790 886466203 /nfs/dbraw/zinc/46/62/03/886466203.db2.gz IGNLJWGDAVCZKE-HXOBKFHXSA-N 1 0 379.504 3.901 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)cs1 ZINC000195141693 886467029 /nfs/dbraw/zinc/46/70/29/886467029.db2.gz OJLDBRRGDQZXKT-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO CC(C)(C)OC1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000118977046 886472022 /nfs/dbraw/zinc/47/20/22/886472022.db2.gz HYJOFLIIEUTGRC-QGZVFWFLSA-N 1 0 378.476 3.503 20 30 GHEDRO CC(C)OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000532633057 886588714 /nfs/dbraw/zinc/58/87/14/886588714.db2.gz NKUVWXJMQBRSCF-HNNXBMFYSA-N 1 0 389.565 3.963 20 30 GHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1)CC1CC1 ZINC000476509796 886639380 /nfs/dbraw/zinc/63/93/80/886639380.db2.gz MTTRPVDABILRQZ-UHFFFAOYSA-N 1 0 395.613 3.624 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccccc1 ZINC000794461444 886745334 /nfs/dbraw/zinc/74/53/34/886745334.db2.gz JSXRWCSZNVHJSP-HXUWFJFHSA-N 1 0 396.560 3.668 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670201069 886829466 /nfs/dbraw/zinc/82/94/66/886829466.db2.gz URNWOBHWEOCYQK-OAQYLSRUSA-N 1 0 388.519 3.627 20 30 GHEDRO Cc1nc(C(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC001131542039 887003310 /nfs/dbraw/zinc/00/33/10/887003310.db2.gz FEKRVZHDNUUMKX-UHFFFAOYSA-N 1 0 376.504 3.777 20 30 GHEDRO C=CCSCC[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000609223433 887244682 /nfs/dbraw/zinc/24/46/82/887244682.db2.gz QUERMKPLCQVPHD-UHFFFAOYSA-N 1 0 375.563 3.656 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC000487997910 887270181 /nfs/dbraw/zinc/27/01/81/887270181.db2.gz XAIDFWDLYXPZGW-CHWSQXEVSA-N 1 0 379.302 3.705 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C2CC2)nc2onc(C)c21)C(C)C ZINC000496012473 887383511 /nfs/dbraw/zinc/38/35/11/887383511.db2.gz CUYRNGQDLGATJW-LJQANCHMSA-N 1 0 382.508 3.837 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCCC2)C[C@@H]1C(F)(F)F ZINC001168499395 887480263 /nfs/dbraw/zinc/48/02/63/887480263.db2.gz BMIXAHPWLSXECT-UONOGXRCSA-N 1 0 375.435 3.990 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000536618601 887669106 /nfs/dbraw/zinc/66/91/06/887669106.db2.gz OHZSTVSUBROHGP-UHFFFAOYSA-N 1 0 386.499 3.794 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536619826 887691078 /nfs/dbraw/zinc/69/10/78/887691078.db2.gz NJBBZTYGYLEQPJ-HSZRJFAPSA-N 1 0 386.499 3.631 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000454268078 887954955 /nfs/dbraw/zinc/95/49/55/887954955.db2.gz PRJYXBRETLVABE-RDJZCZTQSA-N 1 0 389.931 3.686 20 30 GHEDRO C[C@@H]1C[C@@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120231001 887995986 /nfs/dbraw/zinc/99/59/86/887995986.db2.gz BMJDDQHZTUBWRP-XMSQKQJNSA-N 1 0 390.531 3.594 20 30 GHEDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccccc1Oc1ccc(C#N)cc1F ZINC000810057926 888105136 /nfs/dbraw/zinc/10/51/36/888105136.db2.gz MSEZGFYSTGKRLS-UHFFFAOYSA-N 1 0 392.452 3.540 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000810129998 888194943 /nfs/dbraw/zinc/19/49/43/888194943.db2.gz XNRGMSXKYKUCFU-DLBZAZTESA-N 1 0 390.487 3.753 20 30 GHEDRO N#CC1CCC(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000287270299 913228014 /nfs/dbraw/zinc/22/80/14/913228014.db2.gz SJILSJTWGKPFCI-XPJNUEMQSA-N 1 0 380.536 3.624 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)ccc1C#N ZINC000810251733 888353381 /nfs/dbraw/zinc/35/33/81/888353381.db2.gz WIEUZQKIJWOFFZ-OAHLLOKOSA-N 1 0 385.895 3.908 20 30 GHEDRO Cn1nc(CCC[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1-c1ccc(F)cc1 ZINC000763239916 888374559 /nfs/dbraw/zinc/37/45/59/888374559.db2.gz KAYKXCLVWFWKLL-HSZRJFAPSA-N 1 0 392.478 3.696 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)c(-c2ccncc2)n1 ZINC000865804637 888587288 /nfs/dbraw/zinc/58/72/88/888587288.db2.gz CUVXUKTTZANIGE-QFIPXVFZSA-N 1 0 392.551 3.745 20 30 GHEDRO FCC[C@H]1CCCC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000794871317 888599046 /nfs/dbraw/zinc/59/90/46/888599046.db2.gz XJISFVYEPQTEOS-QGZVFWFLSA-N 1 0 376.545 3.631 20 30 GHEDRO N#CC[C@@H](CC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000475930172 888708689 /nfs/dbraw/zinc/70/86/89/888708689.db2.gz ORWKLUBODGJQEL-FQEVSTJZSA-N 1 0 385.577 3.942 20 30 GHEDRO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810656055 888719856 /nfs/dbraw/zinc/71/98/56/888719856.db2.gz HJADTHYOYQEANY-XMSQKQJNSA-N 1 0 384.882 3.812 20 30 GHEDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866444966 888881449 /nfs/dbraw/zinc/88/14/49/888881449.db2.gz FTPMNCWADJKGPD-GOSISDBHSA-N 1 0 376.504 3.558 20 30 GHEDRO S=C(NN=Cc1cccc(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916306991 888908811 /nfs/dbraw/zinc/90/88/11/888908811.db2.gz LIHNRIRZSUMOIP-UHFFFAOYSA-N 1 0 386.952 3.803 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000810838731 888925828 /nfs/dbraw/zinc/92/58/28/888925828.db2.gz RGVYOETWZGAMLM-LEWJYISDSA-N 1 0 376.456 3.921 20 30 GHEDRO Cn1c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc2cc(Cl)ccc21 ZINC000532785630 888940797 /nfs/dbraw/zinc/94/07/97/888940797.db2.gz YZMXUQSZFJFLSI-INIZCTEOSA-N 1 0 397.885 3.996 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000542590213 888978393 /nfs/dbraw/zinc/97/83/93/888978393.db2.gz MKJSXGJHRKTZLY-HNNXBMFYSA-N 1 0 390.512 3.957 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000532827022 889026279 /nfs/dbraw/zinc/02/62/79/889026279.db2.gz FPVDOXKIVKDGSR-LLGFUMIMSA-N 1 0 391.943 3.874 20 30 GHEDRO C=CCOc1cccc(CNc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)c1 ZINC000532889881 889223375 /nfs/dbraw/zinc/22/33/75/889223375.db2.gz UFGQAAORHYSBIP-UHFFFAOYSA-N 1 0 392.503 3.615 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867975854 889243660 /nfs/dbraw/zinc/24/36/60/889243660.db2.gz BIPRSJPABMUYNH-KBXCAEBGSA-N 1 0 382.533 3.853 20 30 GHEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000868211709 889355395 /nfs/dbraw/zinc/35/53/95/889355395.db2.gz XEMAUDKLQCQLBH-DLBZAZTESA-N 1 0 394.441 3.581 20 30 GHEDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000532960057 889432331 /nfs/dbraw/zinc/43/23/31/889432331.db2.gz QEZBZWLUZRJOQA-QFIPXVFZSA-N 1 0 399.498 3.698 20 30 GHEDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000811492257 889643372 /nfs/dbraw/zinc/64/33/72/889643372.db2.gz ZLQZEIPETKVHPV-CYBMUJFWSA-N 1 0 383.414 3.924 20 30 GHEDRO C[C@H](C#N)CN(C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)C1CC1 ZINC000533138606 889847393 /nfs/dbraw/zinc/84/73/93/889847393.db2.gz NJPNYHOTKDMVLX-QGZVFWFLSA-N 1 0 397.523 3.657 20 30 GHEDRO C=CC(C)(C)CNC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455005846 890166897 /nfs/dbraw/zinc/16/68/97/890166897.db2.gz VDFUTKIDUWSZSH-IBGZPJMESA-N 1 0 381.524 3.972 20 30 GHEDRO C=CCCCN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000455059994 890220901 /nfs/dbraw/zinc/22/09/01/890220901.db2.gz UPAQKMXXRWMSME-OAQYLSRUSA-N 1 0 385.552 3.523 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000812181873 890390422 /nfs/dbraw/zinc/39/04/22/890390422.db2.gz VOGIJAUMAGWSHF-UHFFFAOYSA-N 1 0 388.947 3.880 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)C2)C1 ZINC000455224959 890598816 /nfs/dbraw/zinc/59/88/16/890598816.db2.gz FHKCKADOZXDKMQ-JOCHJYFZSA-N 1 0 376.460 3.910 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000066391876 890929346 /nfs/dbraw/zinc/92/93/46/890929346.db2.gz YOAWZJNDCJMACC-QGZVFWFLSA-N 1 0 378.944 3.791 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(CC#N)ccn1 ZINC000871725409 890992033 /nfs/dbraw/zinc/99/20/33/890992033.db2.gz YSMMFRTXLJLWEA-FQEVSTJZSA-N 1 0 377.492 3.524 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)Nc2cc(CC#N)ccn2)C[N@@H+]1Cc1ccccc1 ZINC000871725518 890992660 /nfs/dbraw/zinc/99/26/60/890992660.db2.gz BYUNEYMHGLFFRU-YLJYHZDGSA-N 1 0 377.492 3.570 20 30 GHEDRO N#CCc1ccnc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000871726542 890993570 /nfs/dbraw/zinc/99/35/70/890993570.db2.gz MRKXGJYAGSEPOK-RTWAWAEBSA-N 1 0 389.503 3.666 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000812868143 891085951 /nfs/dbraw/zinc/08/59/51/891085951.db2.gz HSGXUSBUFWBAMZ-JOCHJYFZSA-N 1 0 379.479 3.985 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)c2)cc1 ZINC001133495578 891106460 /nfs/dbraw/zinc/10/64/60/891106460.db2.gz XAFZEUYGXQZRME-LEWJYISDSA-N 1 0 393.512 3.660 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812896806 891110352 /nfs/dbraw/zinc/11/03/52/891110352.db2.gz BDSNQFHMONPURM-ZNLUXHQJSA-N 1 0 379.479 3.710 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)OCC ZINC000533689841 891137659 /nfs/dbraw/zinc/13/76/59/891137659.db2.gz KMCMYIVCUXKMQK-FQEVSTJZSA-N 1 0 387.524 3.811 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000812936671 891144432 /nfs/dbraw/zinc/14/44/32/891144432.db2.gz TXQXJHKEMVIYBE-VWNXMTODSA-N 1 0 391.490 3.808 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000812936149 891144778 /nfs/dbraw/zinc/14/47/78/891144778.db2.gz MKLFAZIMJCOTAR-XKGZKEIXSA-N 1 0 385.508 3.944 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873049558 891444927 /nfs/dbraw/zinc/44/49/27/891444927.db2.gz CIYMUUQWPZEXQV-NRFANRHFSA-N 1 0 390.487 3.911 20 30 GHEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](c2ccccc2)C1 ZINC000497418032 891537641 /nfs/dbraw/zinc/53/76/41/891537641.db2.gz PNGDGGZSDMVTDH-VXKWHMMOSA-N 1 0 398.466 3.573 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(N4CCCC4)o3)CC2)cc1 ZINC001137071891 891677103 /nfs/dbraw/zinc/67/71/03/891677103.db2.gz IFFMGSWOZSOIJZ-UHFFFAOYSA-N 1 0 393.491 3.538 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000067979092 891704278 /nfs/dbraw/zinc/70/42/78/891704278.db2.gz LOWATFLSXMYINY-KDURUIRLSA-N 1 0 394.515 3.791 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)cn2)cc1 ZINC000615012252 891743006 /nfs/dbraw/zinc/74/30/06/891743006.db2.gz GCOZWNZUXBVMMB-UHFFFAOYSA-N 1 0 389.459 3.614 20 30 GHEDRO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275371262 913594402 /nfs/dbraw/zinc/59/44/02/913594402.db2.gz VZORNDGDMWVIEP-GOSISDBHSA-N 1 0 375.944 3.700 20 30 GHEDRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000161773374 891813605 /nfs/dbraw/zinc/81/36/05/891813605.db2.gz OVDZKQDJXIKOCW-UHFFFAOYSA-N 1 0 392.931 3.632 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1C#N ZINC000813784960 891969997 /nfs/dbraw/zinc/96/99/97/891969997.db2.gz AQXJKKRJCOYKGC-SFHVURJKSA-N 1 0 385.508 3.979 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1F ZINC000774825533 913625365 /nfs/dbraw/zinc/62/53/65/913625365.db2.gz DGBWRDMJTSCIET-XJKSGUPXSA-N 1 0 390.418 3.722 20 30 GHEDRO C=C(Br)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000125009779 892137947 /nfs/dbraw/zinc/13/79/47/892137947.db2.gz FJMSOKFMQBFPRV-SNVBAGLBSA-N 1 0 376.092 3.664 20 30 GHEDRO C#CCN1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000729808882 892223280 /nfs/dbraw/zinc/22/32/80/892223280.db2.gz GENOVKIAGXXIBS-KRWDZBQOSA-N 1 0 380.400 3.642 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000543760653 913651678 /nfs/dbraw/zinc/65/16/78/913651678.db2.gz QRUAHVJIPOOVOL-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)N[C@H](C)CC)cc1 ZINC000154483228 892410956 /nfs/dbraw/zinc/41/09/56/892410956.db2.gz OZDVVHDFKKZBSD-OAHLLOKOSA-O 1 0 383.537 3.798 20 30 GHEDRO CCC(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000192458181 892469483 /nfs/dbraw/zinc/46/94/83/892469483.db2.gz ZFBFNOCWBLOWAJ-UHFFFAOYSA-N 1 0 393.491 3.502 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508689246 892637887 /nfs/dbraw/zinc/63/78/87/892637887.db2.gz QTVONXKJRBBAOD-FQEVSTJZSA-N 1 0 395.551 3.725 20 30 GHEDRO COC(=O)c1cccc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC000533759631 892836291 /nfs/dbraw/zinc/83/62/91/892836291.db2.gz WMLMEPHKVXBMHW-GOSISDBHSA-N 1 0 383.536 3.821 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271748517 892869286 /nfs/dbraw/zinc/86/92/86/892869286.db2.gz XCSKJQIFZSIQIA-RTWAWAEBSA-N 1 0 392.499 3.722 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876109232 892970986 /nfs/dbraw/zinc/97/09/86/892970986.db2.gz GBDYLOTZFHMDQQ-UHFFFAOYSA-N 1 0 375.561 3.815 20 30 GHEDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000562911190 893134660 /nfs/dbraw/zinc/13/46/60/893134660.db2.gz HRFGKGGRXCLRTL-MRXNPFEDSA-N 1 0 396.434 3.919 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)cc1OC ZINC000933862441 893266018 /nfs/dbraw/zinc/26/60/18/893266018.db2.gz ZIIGNEJBRHHAEB-FQEVSTJZSA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455782940 893268032 /nfs/dbraw/zinc/26/80/32/893268032.db2.gz KNHRNOSRXDOUAY-HOCLYGCPSA-N 1 0 383.883 3.781 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000876656863 893277398 /nfs/dbraw/zinc/27/73/98/893277398.db2.gz HJYHHBZXDWJLRC-CABCVRRESA-N 1 0 391.924 3.782 20 30 GHEDRO CC(N=Nc1nc(-c2cccnc2)no1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000814949462 893299534 /nfs/dbraw/zinc/29/95/34/893299534.db2.gz AHSPYXJIMZVIMP-UHFFFAOYSA-N 1 0 392.463 3.659 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)Cc2cccnc2)c1C#N ZINC000934237510 893492493 /nfs/dbraw/zinc/49/24/93/893492493.db2.gz YTMKUOHZSPXKBJ-OAHLLOKOSA-N 1 0 379.508 3.646 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC000815156295 893497214 /nfs/dbraw/zinc/49/72/14/893497214.db2.gz ZTRCTDBCFXJAEC-HYFFOGBASA-N 1 0 395.478 3.958 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC001137117023 893505264 /nfs/dbraw/zinc/50/52/64/893505264.db2.gz ZFCOOGBTMQNHDK-NRFANRHFSA-N 1 0 398.457 3.722 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3cc(C#N)cnc3Cl)CCN2C2CC2)c1 ZINC000877167101 893517085 /nfs/dbraw/zinc/51/70/85/893517085.db2.gz NCQODFJVIGHCDE-PMACEKPBSA-N 1 0 382.895 3.683 20 30 GHEDRO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119616 893573542 /nfs/dbraw/zinc/57/35/42/893573542.db2.gz ZOPDFVOMNOHBGW-NKKJXINNSA-N 1 0 390.531 3.716 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000877569886 893695896 /nfs/dbraw/zinc/69/58/96/893695896.db2.gz CNDQRQQPZWWSMM-MSOLQXFVSA-N 1 0 379.545 3.855 20 30 GHEDRO Cc1ccc(F)c(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000563441358 893727650 /nfs/dbraw/zinc/72/76/50/893727650.db2.gz RAXUEXNMROGWGY-UHFFFAOYSA-N 1 0 387.458 3.774 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c(C#N)c1C ZINC000459540527 893764141 /nfs/dbraw/zinc/76/41/41/893764141.db2.gz XTFDHSHUVCJNQS-HXUWFJFHSA-N 1 0 381.476 3.590 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000154732924 893771166 /nfs/dbraw/zinc/77/11/66/893771166.db2.gz FKGXKKJGUOOFMF-QGZVFWFLSA-N 1 0 395.478 3.645 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1)c1ccccc1 ZINC000877995995 893936837 /nfs/dbraw/zinc/93/68/37/893936837.db2.gz LWDCBGAUUBPBGZ-DEOSSOPVSA-N 1 0 395.547 3.588 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000498290765 893937929 /nfs/dbraw/zinc/93/79/29/893937929.db2.gz LMUGPOSGMUPKCK-RTBURBONSA-N 1 0 394.515 3.791 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000826014515 893959282 /nfs/dbraw/zinc/95/92/82/893959282.db2.gz YBAMXLHLTJEOGW-UHFFFAOYSA-N 1 0 391.334 3.881 20 30 GHEDRO CCC1(CNC(=O)C2(C#N)CCSCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000935066903 894163165 /nfs/dbraw/zinc/16/31/65/894163165.db2.gz RKBOKVXJISDAPX-UHFFFAOYSA-N 1 0 385.577 3.832 20 30 GHEDRO C#CCC1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c3ccncc23)CCCCC1 ZINC001135189888 894167780 /nfs/dbraw/zinc/16/77/80/894167780.db2.gz QDVFQMRVKNWRKB-UHFFFAOYSA-N 1 0 390.531 3.899 20 30 GHEDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCC2 ZINC000459780563 894182347 /nfs/dbraw/zinc/18/23/47/894182347.db2.gz XXRWIEDABBSYNA-RBUKOAKNSA-N 1 0 384.524 3.577 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Cc2cccc(OCC#N)c2)CCCC1)c1ccccc1 ZINC000127076058 894224016 /nfs/dbraw/zinc/22/40/16/894224016.db2.gz FZPROPKBANOAFC-LJQANCHMSA-N 1 0 391.515 3.911 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935147132 894230893 /nfs/dbraw/zinc/23/08/93/894230893.db2.gz LJQWHTGTVLMXOY-WMLDXEAASA-N 1 0 395.931 3.625 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000537075001 894295761 /nfs/dbraw/zinc/29/57/61/894295761.db2.gz CXZPDEIOGNKSMQ-KUHUBIRLSA-N 1 0 392.341 3.888 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000815945745 894321727 /nfs/dbraw/zinc/32/17/27/894321727.db2.gz RKHJNPUFUIIVML-HNNXBMFYSA-N 1 0 385.414 3.609 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000537124327 894348553 /nfs/dbraw/zinc/34/85/53/894348553.db2.gz LTNREOQEBHQBLX-GXZWQRSESA-N 1 0 375.488 3.708 20 30 GHEDRO C#CCCCCC[NH+]1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000878708955 894527147 /nfs/dbraw/zinc/52/71/47/894527147.db2.gz BYZOGINAOIPMNI-WOJBJXKFSA-N 1 0 378.557 3.964 20 30 GHEDRO COc1ccc(C2CC[NH+](CC[C@@](C#N)(C(C)=O)c3ccccc3)CC2)nc1 ZINC000878798997 894625697 /nfs/dbraw/zinc/62/56/97/894625697.db2.gz BKSLZFYHZPYQTO-HSZRJFAPSA-N 1 0 377.488 3.710 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC000537293900 894717933 /nfs/dbraw/zinc/71/79/33/894717933.db2.gz LLWDBELEFUOHQF-UHFFFAOYSA-N 1 0 376.479 3.975 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cn3)C2)c(F)c1 ZINC000537303177 894734026 /nfs/dbraw/zinc/73/40/26/894734026.db2.gz BVOSSOFDYAIQMB-INIZCTEOSA-N 1 0 389.272 3.613 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1C1CCCCC1 ZINC000537344278 894802873 /nfs/dbraw/zinc/80/28/73/894802873.db2.gz FMGYZLZMXLERCP-UHFFFAOYSA-N 1 0 393.535 3.772 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000564429073 894971245 /nfs/dbraw/zinc/97/12/45/894971245.db2.gz HTBKZGFYPXFKFV-FQEVSTJZSA-N 1 0 384.455 3.911 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NCCC[NH+]3CCCCC3)cc2)ccn1 ZINC000564431427 894976905 /nfs/dbraw/zinc/97/69/05/894976905.db2.gz DTWSKQPFNLRPDC-UHFFFAOYSA-N 1 0 379.464 3.743 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879669151 895218034 /nfs/dbraw/zinc/21/80/34/895218034.db2.gz IMUOOGLHDJMPTR-BZUAXINKSA-N 1 0 395.425 3.817 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000564813840 895263475 /nfs/dbraw/zinc/26/34/75/895263475.db2.gz YKTRLGOAUHNZKG-DHIUTWEWSA-N 1 0 388.515 3.888 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000023604794 895395682 /nfs/dbraw/zinc/39/56/82/895395682.db2.gz SSAYJBZQUCSZMS-UHFFFAOYSA-O 1 0 392.548 3.999 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000565389133 895585589 /nfs/dbraw/zinc/58/55/89/895585589.db2.gz ARHIRVSBRVCVMQ-BGYRXZFFSA-N 1 0 389.503 3.601 20 30 GHEDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000565513032 895689420 /nfs/dbraw/zinc/68/94/20/895689420.db2.gz YZNKQZPYCCGKOB-IBGZPJMESA-N 1 0 376.378 3.798 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)cc1 ZINC000817581108 895751617 /nfs/dbraw/zinc/75/16/17/895751617.db2.gz NHLPAVDOEXMJKO-OAHLLOKOSA-N 1 0 378.295 3.897 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000880925674 896002799 /nfs/dbraw/zinc/00/27/99/896002799.db2.gz GVCIAHAANPTDNQ-ZBFHGGJFSA-N 1 0 382.430 3.581 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000818100602 896025953 /nfs/dbraw/zinc/02/59/53/896025953.db2.gz HMSBBVCYVVMDFY-QGZVFWFLSA-N 1 0 377.492 3.535 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000880991690 896052116 /nfs/dbraw/zinc/05/21/16/896052116.db2.gz HOZZJYABDMHASJ-OAHLLOKOSA-N 1 0 381.455 3.748 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 ZINC000566048049 896073044 /nfs/dbraw/zinc/07/30/44/896073044.db2.gz PHRZIMVBMKWSQJ-UHFFFAOYSA-N 1 0 377.275 3.706 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000881150208 896200267 /nfs/dbraw/zinc/20/02/67/896200267.db2.gz MXPFNJHXCMTYQG-FPOVZHCZSA-N 1 0 389.503 3.666 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC001136150257 896204855 /nfs/dbraw/zinc/20/48/55/896204855.db2.gz NEXLDYGAHRPGLY-SJORKVTESA-N 1 0 395.569 3.717 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4cccc(Cl)c4C3)CC2)cc1 ZINC001170910293 896205345 /nfs/dbraw/zinc/20/53/45/896205345.db2.gz DBKZQJXVHKFWLT-HXUWFJFHSA-N 1 0 393.918 3.963 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000819046325 896339556 /nfs/dbraw/zinc/33/95/56/896339556.db2.gz KTTHCQFTTMZGEO-UHFFFAOYSA-N 1 0 385.986 3.582 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC2CC[NH+](CCC)CC2)s1 ZINC000819023449 896356470 /nfs/dbraw/zinc/35/64/70/896356470.db2.gz OCAFBERMQFDTPC-UHFFFAOYSA-N 1 0 388.002 3.829 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000819068803 896385482 /nfs/dbraw/zinc/38/54/82/896385482.db2.gz SALQDYWEKLQUKU-IEBWSBKVSA-N 1 0 389.293 3.953 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819270737 896558102 /nfs/dbraw/zinc/55/81/02/896558102.db2.gz HPVZUVMWXYPHTF-QZTJIDSGSA-N 1 0 375.241 3.770 20 30 GHEDRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]Cc1ccc(C#N)cn1)c1ccccc1 ZINC000819314299 896606963 /nfs/dbraw/zinc/60/69/63/896606963.db2.gz WVTVTRJAGUWJNV-ISKFKSNPSA-N 1 0 387.483 3.518 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000302956579 914083812 /nfs/dbraw/zinc/08/38/12/914083812.db2.gz FTNBDXJOXPLPTI-HXUWFJFHSA-N 1 0 386.417 3.838 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000819376779 896651449 /nfs/dbraw/zinc/65/14/49/896651449.db2.gz FZAYUPFTYXQLKF-SFTDATJTSA-N 1 0 399.535 3.533 20 30 GHEDRO COc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC001136223084 896676447 /nfs/dbraw/zinc/67/64/47/896676447.db2.gz DOEITJQDYFCSJB-QGZVFWFLSA-N 1 0 377.488 3.729 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000882505267 896832134 /nfs/dbraw/zinc/83/21/34/896832134.db2.gz JSUAIIIAZFFDFT-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000819558312 896847090 /nfs/dbraw/zinc/84/70/90/896847090.db2.gz SPZOVFNERRXSDU-AGUYFDCRSA-N 1 0 385.986 3.580 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000819736954 896961420 /nfs/dbraw/zinc/96/14/20/896961420.db2.gz RDFWETSTFWNIBA-LVMGUKCRSA-N 1 0 377.488 3.731 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000796283143 914133298 /nfs/dbraw/zinc/13/32/98/914133298.db2.gz PRDGTXGXJHOMHU-SYYKKAFVSA-N 1 0 384.483 3.688 20 30 GHEDRO N#CC1(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCSCC1 ZINC000820169905 897212085 /nfs/dbraw/zinc/21/20/85/897212085.db2.gz FNAFFFVPACGQOB-UHFFFAOYSA-N 1 0 383.561 3.538 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC001136317106 897249485 /nfs/dbraw/zinc/24/94/85/897249485.db2.gz CNZHTTXQXHQJMR-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO CC(C)c1ccc(C(=O)C(C(=S)NCc2ccon2)[n+]2ccccc2)cc1 ZINC000131099773 897321328 /nfs/dbraw/zinc/32/13/28/897321328.db2.gz GAHALSHGQIEBFW-UHFFFAOYSA-O 1 0 380.493 3.814 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883170220 897339865 /nfs/dbraw/zinc/33/98/65/897339865.db2.gz OEQOCSCKWYBLKL-IRLDBZIGSA-N 1 0 380.488 3.812 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1Cc2ccccc2O1 ZINC000883170675 897340105 /nfs/dbraw/zinc/34/01/05/897340105.db2.gz ZIYNTBSXUHBANE-DENIHFKCSA-N 1 0 380.488 3.812 20 30 GHEDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)CC1 ZINC000805749943 897370440 /nfs/dbraw/zinc/37/04/40/897370440.db2.gz CGEKHYZOTCLEIE-ZDUSSCGKSA-N 1 0 394.313 3.667 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N1CCC(CCC#N)CC1)[NH+]1CCCCC1 ZINC000567753146 897379732 /nfs/dbraw/zinc/37/97/32/897379732.db2.gz KJMDKHCEAXVBSC-NRFANRHFSA-N 1 0 398.551 3.948 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000883220540 897380711 /nfs/dbraw/zinc/38/07/11/897380711.db2.gz LGHLWJYCRRNHMZ-IRXDYDNUSA-N 1 0 391.455 3.712 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H]([C@@H]2CCOC2)C1 ZINC000883231870 897390684 /nfs/dbraw/zinc/39/06/84/897390684.db2.gz VECWGUIQSLJMBR-HKBOAZHASA-N 1 0 399.535 3.504 20 30 GHEDRO C#C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000820612533 897412007 /nfs/dbraw/zinc/41/20/07/897412007.db2.gz XICRZDYDTKXEOG-MRXNPFEDSA-N 1 0 380.330 3.543 20 30 GHEDRO C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000820616222 897413296 /nfs/dbraw/zinc/41/32/96/897413296.db2.gz GVXDRBLUSXDVOK-QGTPRVQTSA-N 1 0 392.341 3.638 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)CNc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(OC)c1 ZINC000567892626 897474284 /nfs/dbraw/zinc/47/42/84/897474284.db2.gz AJKQEYGGVWVHND-IRLDBZIGSA-N 1 0 396.531 3.824 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000282832591 897901266 /nfs/dbraw/zinc/90/12/66/897901266.db2.gz JWZFXGHJAHVWJE-NRFANRHFSA-N 1 0 395.551 3.636 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3ccccc3Cl)CCOCC2)CC1 ZINC000107256409 898321537 /nfs/dbraw/zinc/32/15/37/898321537.db2.gz QJYDTXKRDVUUFZ-UHFFFAOYSA-N 1 0 376.928 3.545 20 30 GHEDRO C=CC1(CC(=O)Nc2ccc(C[NH+](C)C)cc2C)CN(C(=O)OC(C)(C)C)C1 ZINC000822343508 898338192 /nfs/dbraw/zinc/33/81/92/898338192.db2.gz QYAPGJWSQQWESS-UHFFFAOYSA-N 1 0 387.524 3.808 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCOC1 ZINC000107695354 898351390 /nfs/dbraw/zinc/35/13/90/898351390.db2.gz SNAJASZNKRQZCZ-OAHLLOKOSA-N 1 0 375.538 3.576 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000569134167 898358425 /nfs/dbraw/zinc/35/84/25/898358425.db2.gz MMPWMGKBMBTYLI-GDBMZVCRSA-N 1 0 382.426 3.969 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000822451994 898381142 /nfs/dbraw/zinc/38/11/42/898381142.db2.gz UEJDDDHBCHVLTN-ICSRJNTNSA-N 1 0 392.503 3.758 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000822451995 898381436 /nfs/dbraw/zinc/38/14/36/898381436.db2.gz UEJDDDHBCHVLTN-QUCCMNQESA-N 1 0 392.503 3.758 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000108532671 898387487 /nfs/dbraw/zinc/38/74/87/898387487.db2.gz DJZNCZUXQVLLDG-YESZJQIVSA-N 1 0 390.553 3.559 20 30 GHEDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2)c1 ZINC000569293471 898514068 /nfs/dbraw/zinc/51/40/68/898514068.db2.gz COYFSQLXWMZMMK-MRXNPFEDSA-N 1 0 375.394 3.954 20 30 GHEDRO CCN(CC)Cc1csc(NC(=O)CCCC(=O)Nc2ccccc2C#N)n1 ZINC000822702119 898575830 /nfs/dbraw/zinc/57/58/30/898575830.db2.gz NVFCYHFZNBFNGD-UHFFFAOYSA-N 1 0 399.520 3.604 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(n3ccnc3)CC1)CCCCC2 ZINC000109793244 898594820 /nfs/dbraw/zinc/59/48/20/898594820.db2.gz HOZCLECTQCTUMO-UHFFFAOYSA-N 1 0 397.548 3.751 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3cccc(O)c3)sc2C1 ZINC000569407354 898630095 /nfs/dbraw/zinc/63/00/95/898630095.db2.gz JBLPKEPDTNKMTM-CQSZACIVSA-N 1 0 383.517 3.911 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(C3CCCC3)nn1-c1ccccc1)C2 ZINC000884054742 898689247 /nfs/dbraw/zinc/68/92/47/898689247.db2.gz PJAFMWGSMFOFSV-OTQYULQBSA-N 1 0 389.503 3.608 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(F)(F)c1cnc(Cl)c(C)c1)C(C)C ZINC001136649681 898756106 /nfs/dbraw/zinc/75/61/06/898756106.db2.gz AUXDWRPEMAQBGE-INIZCTEOSA-N 1 0 385.886 3.950 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](CCc3ccc(F)cc3Cl)CC2)C1=O ZINC001276330301 914282935 /nfs/dbraw/zinc/28/29/35/914282935.db2.gz HCXCSBVAKAAMFC-UHFFFAOYSA-N 1 0 377.891 3.640 20 30 GHEDRO C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884088187 898837184 /nfs/dbraw/zinc/83/71/84/898837184.db2.gz ATGILHQHONFITP-ZZWYGFAKSA-N 1 0 379.529 3.977 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc3ccccc3nc1OC)C2 ZINC001137202552 898839878 /nfs/dbraw/zinc/83/98/78/898839878.db2.gz PGEGJCBLGBIBHY-HSZRJFAPSA-N 1 0 379.504 3.777 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OC2CCOCC2)CC1 ZINC000569639163 898841910 /nfs/dbraw/zinc/84/19/10/898841910.db2.gz CRVUFNIXFODCTI-UHFFFAOYSA-N 1 0 391.487 3.546 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1)C2 ZINC000884110449 898913412 /nfs/dbraw/zinc/91/34/12/898913412.db2.gz KRWKBSJCVKBPNP-XPECPCTNSA-N 1 0 393.918 3.879 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OC(F)(F)F ZINC000331526189 898958412 /nfs/dbraw/zinc/95/84/12/898958412.db2.gz FYADFIIBOBSIBZ-CQSZACIVSA-N 1 0 396.413 3.797 20 30 GHEDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000113325250 898984194 /nfs/dbraw/zinc/98/41/94/898984194.db2.gz NLLSXHGZMDUYBG-UHFFFAOYSA-N 1 0 388.519 3.995 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)C2 ZINC000884162145 899135979 /nfs/dbraw/zinc/13/59/79/899135979.db2.gz XDJHLUZLZZJJSY-QYRCVRROSA-N 1 0 397.881 3.824 20 30 GHEDRO CCCNc1ccc(C(F)(F)F)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884226652 899427069 /nfs/dbraw/zinc/42/70/69/899427069.db2.gz XXXKLJKFVFZFPE-HZEYSBKDSA-N 1 0 380.414 3.605 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCOc3c(F)cccc32)c(-c2ccncc2)n1 ZINC000570627421 899454665 /nfs/dbraw/zinc/45/46/65/899454665.db2.gz HZSHPBASAYVZBC-IBGZPJMESA-N 1 0 377.423 3.611 20 30 GHEDRO CC(C)(C)OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000119049343 899525277 /nfs/dbraw/zinc/52/52/77/899525277.db2.gz ZDWZMUCVQVNZLC-UHFFFAOYSA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@@H]1C[C@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)CCN1C(=O)OC(C)(C)C ZINC000824339579 899540162 /nfs/dbraw/zinc/54/01/62/899540162.db2.gz XIEGBIUSMQFOGU-RTBURBONSA-N 1 0 398.551 3.974 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCCCCN1C(=O)c2ccccc2C1=O ZINC000824327421 899558276 /nfs/dbraw/zinc/55/82/76/899558276.db2.gz YPQWVUOSZKXFMF-OPYAIIAOSA-N 1 0 384.520 3.802 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)cc1OCCCC#N ZINC000289828586 914368333 /nfs/dbraw/zinc/36/83/33/914368333.db2.gz OEBVWLDLEVNOGK-UHFFFAOYSA-N 1 0 394.519 3.971 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000571361417 899845520 /nfs/dbraw/zinc/84/55/20/899845520.db2.gz WMJBUQQETNJNKN-MJGOQNOKSA-N 1 0 393.491 3.549 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000571754125 899965257 /nfs/dbraw/zinc/96/52/57/899965257.db2.gz IKLDSBJQINQLGL-NHTMILBNSA-N 1 0 377.532 3.644 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572350802 900155321 /nfs/dbraw/zinc/15/53/21/900155321.db2.gz VBBCYDGLBYXJCF-QFIPXVFZSA-N 1 0 395.551 3.826 20 30 GHEDRO CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000135342454 900227314 /nfs/dbraw/zinc/22/73/14/900227314.db2.gz UUCNOSHSPJFAMC-LJQANCHMSA-N 1 0 396.466 3.856 20 30 GHEDRO N#Cc1csc(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000572686021 900248677 /nfs/dbraw/zinc/24/86/77/900248677.db2.gz UHRYHZNOSHZLCV-UHFFFAOYSA-N 1 0 380.439 3.788 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)cc21 ZINC000885573527 900542395 /nfs/dbraw/zinc/54/23/95/900542395.db2.gz IQHUNEDOYFHRLN-UHFFFAOYSA-N 1 0 375.476 3.781 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCC1 ZINC000885983485 900666185 /nfs/dbraw/zinc/66/61/85/900666185.db2.gz HWMUDYUEDIYRTB-LPHOPBHVSA-N 1 0 387.911 3.533 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136515948 900693131 /nfs/dbraw/zinc/69/31/31/900693131.db2.gz BJJQKJTUOZETJK-INIZCTEOSA-O 1 0 395.504 3.594 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371029 900737508 /nfs/dbraw/zinc/73/75/08/900737508.db2.gz VYKQZNZSQTZJOO-SFHVURJKSA-N 1 0 391.393 3.571 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000844367077 900777789 /nfs/dbraw/zinc/77/77/89/900777789.db2.gz QWKJOSMOSQFXCO-SFHVURJKSA-N 1 0 392.286 3.859 20 30 GHEDRO COC[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCCOC1 ZINC000886359670 900955278 /nfs/dbraw/zinc/95/52/78/900955278.db2.gz IBQPLTZIUVUBNJ-GGAORHGYSA-N 1 0 380.488 3.668 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000046784922 901086510 /nfs/dbraw/zinc/08/65/10/901086510.db2.gz DJADITMHLHCZEP-UHFFFAOYSA-N 1 0 397.906 3.715 20 30 GHEDRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1ccc(OCC#N)cc1 ZINC001212613397 901122662 /nfs/dbraw/zinc/12/26/62/901122662.db2.gz RPJWRISQKUIDMO-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1OCCCC#N ZINC000072049926 901179847 /nfs/dbraw/zinc/17/98/47/901179847.db2.gz GCLDARDCAYAMDF-KRWDZBQOSA-N 1 0 391.475 3.809 20 30 GHEDRO C#CCN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)C1CC[NH+](C)CC1 ZINC000886586995 901180085 /nfs/dbraw/zinc/18/00/85/901180085.db2.gz BOKMTNRWXIYEGS-UHFFFAOYSA-N 1 0 379.485 3.726 20 30 GHEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1C#N ZINC000886688618 901227895 /nfs/dbraw/zinc/22/78/95/901227895.db2.gz WHYLUFCBVGRTOH-CYBMUJFWSA-N 1 0 375.519 3.502 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CC[C@@H]([NH+]4CCCC4)C3)c(=S)o2)cc1 ZINC000158337696 901244305 /nfs/dbraw/zinc/24/43/05/901244305.db2.gz BQDWQFQDEQADEK-QGZVFWFLSA-N 1 0 386.521 3.565 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1)C(C)C ZINC001144204018 901281758 /nfs/dbraw/zinc/28/17/58/901281758.db2.gz HNAHAAPSEKFDQE-WMZHIEFXSA-N 1 0 390.568 3.869 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)cc2)cc1 ZINC000886932981 901335991 /nfs/dbraw/zinc/33/59/91/901335991.db2.gz WDRQQHHIUAMFOO-OAHLLOKOSA-N 1 0 386.402 3.717 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1Cl ZINC000092010176 901465587 /nfs/dbraw/zinc/46/55/87/901465587.db2.gz QNVAJUXTOQWRBE-VQIMIIECSA-N 1 0 375.900 3.584 20 30 GHEDRO N#CCCn1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000093683424 901561868 /nfs/dbraw/zinc/56/18/68/901561868.db2.gz FVRDXQAADHPWAB-HXUWFJFHSA-N 1 0 377.536 3.772 20 30 GHEDRO CCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000576054576 901622794 /nfs/dbraw/zinc/62/27/94/901622794.db2.gz KPRGIHSNYBMXNX-KRWDZBQOSA-N 1 0 393.487 3.974 20 30 GHEDRO COc1cccc(/C(C)=C\C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000845003150 901632845 /nfs/dbraw/zinc/63/28/45/901632845.db2.gz RXHDDECGFSGYAQ-AQTBWJFISA-N 1 0 389.499 3.751 20 30 GHEDRO CC(C)COc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845004294 901635245 /nfs/dbraw/zinc/63/52/45/901635245.db2.gz YLLJOBIHQNUDRH-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000576128518 901703465 /nfs/dbraw/zinc/70/34/65/901703465.db2.gz GANSRRLMHJVEGE-MRXNPFEDSA-N 1 0 396.454 3.704 20 30 GHEDRO Cn1nccc1-c1ccccc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000576179531 901763406 /nfs/dbraw/zinc/76/34/06/901763406.db2.gz PBSUYWOLMOBDMP-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](Cc3cccc(O)c3)CC3CC3)C2=O)cc1 ZINC000576428113 902013895 /nfs/dbraw/zinc/01/38/95/902013895.db2.gz UOGIQLCAXMHLMQ-QFIPXVFZSA-N 1 0 375.472 3.671 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000158716229 902029635 /nfs/dbraw/zinc/02/96/35/902029635.db2.gz PYEKGEJQXYECFN-UHFFFAOYSA-N 1 0 385.581 3.807 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001171175356 902063508 /nfs/dbraw/zinc/06/35/08/902063508.db2.gz JVEMWVDNCCFXAB-PBHICJAKSA-N 1 0 379.451 3.724 20 30 GHEDRO CCOC(=O)c1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc2c1OCC2 ZINC001171182886 902174838 /nfs/dbraw/zinc/17/48/38/902174838.db2.gz VQAAIAMVZGTUOX-UHFFFAOYSA-N 1 0 376.412 3.694 20 30 GHEDRO [NH2+]=C(Nc1cc(F)c(CN2CCOCC2)c(F)c1)c1ccc2cc(O)ccc2c1 ZINC001171186336 902194592 /nfs/dbraw/zinc/19/45/92/902194592.db2.gz QWLFELZFJNVXKE-UHFFFAOYSA-N 1 0 397.425 3.693 20 30 GHEDRO [NH2+]=C(Nc1cccc2c1NC(=O)C21CCOCC1)c1ccc2cc(O)ccc2c1 ZINC001171186297 902194708 /nfs/dbraw/zinc/19/47/08/902194708.db2.gz PTBJJJLTXOIIRB-UHFFFAOYSA-N 1 0 387.439 3.583 20 30 GHEDRO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171189731 902229171 /nfs/dbraw/zinc/22/91/71/902229171.db2.gz KLDBATWUJXFHJC-CYSDGLOUSA-N 1 0 389.543 3.905 20 30 GHEDRO C[C@H](NC(=O)c1ccccc1SCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778962564 902241791 /nfs/dbraw/zinc/24/17/91/902241791.db2.gz VCRRSHWDOAMVGM-PKOBYXMFSA-N 1 0 379.529 3.943 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001144496913 902257392 /nfs/dbraw/zinc/25/73/92/902257392.db2.gz LCKQWQFXPKCHDD-UHFFFAOYSA-N 1 0 375.516 3.841 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000576796851 902269964 /nfs/dbraw/zinc/26/99/64/902269964.db2.gz HRZPZKPYBVWNGB-VSKRKVRLSA-N 1 0 385.552 3.569 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000576897856 902342656 /nfs/dbraw/zinc/34/26/56/902342656.db2.gz XMMLLCPRAXTAPG-XQBPLPMBSA-N 1 0 392.551 3.696 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC001171197817 902354167 /nfs/dbraw/zinc/35/41/67/902354167.db2.gz CVLXWDAHLYJHDJ-NPFVIJTESA-N 1 0 379.479 3.959 20 30 GHEDRO C#Cc1ccc(C[N@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)cc1 ZINC001144571968 902403426 /nfs/dbraw/zinc/40/34/26/902403426.db2.gz MEADWGFMXWOGKW-JOCHJYFZSA-N 1 0 392.474 3.674 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H]4CCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000334026355 902510586 /nfs/dbraw/zinc/51/05/86/902510586.db2.gz HMQZRAYKRUTGFV-XMSQKQJNSA-N 1 0 399.498 3.728 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nc1 ZINC000577229032 902600786 /nfs/dbraw/zinc/60/07/86/902600786.db2.gz XGRWDPOOTTVWLZ-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1OC ZINC000577240892 902609133 /nfs/dbraw/zinc/60/91/33/902609133.db2.gz JCHPDEXYWVKCGJ-YLJYHZDGSA-N 1 0 380.488 3.653 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001171211268 902647100 /nfs/dbraw/zinc/64/71/00/902647100.db2.gz BWFJKUDDKDQYKV-MHECFPHRSA-N 1 0 391.490 3.753 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cscc3Br)CC2)C1=O ZINC001275540711 914648186 /nfs/dbraw/zinc/64/81/86/914648186.db2.gz MQDGWJOZMNQQPS-KRWDZBQOSA-N 1 0 383.355 3.901 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000846113678 902692243 /nfs/dbraw/zinc/69/22/43/902692243.db2.gz NNWQIRNGCFTZBO-MNEFBYGVSA-N 1 0 389.496 3.578 20 30 GHEDRO COc1cccc(CN(C(=O)/C=C/C(=O)c2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001144715038 902695419 /nfs/dbraw/zinc/69/54/19/902695419.db2.gz YKRRBBFCAVVWHA-IIZJXIOESA-N 1 0 392.499 3.733 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001171213067 902707934 /nfs/dbraw/zinc/70/79/34/902707934.db2.gz TYBQWNUKTJIDTH-YLJYHZDGSA-N 1 0 395.478 3.726 20 30 GHEDRO N#Cc1ccc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)o1 ZINC000129063051 902755449 /nfs/dbraw/zinc/75/54/49/902755449.db2.gz NFMIMQZVTWJFMI-UHFFFAOYSA-N 1 0 387.487 3.523 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001171217303 902756327 /nfs/dbraw/zinc/75/63/27/902756327.db2.gz ORESELCUDXTKSI-VEXUSMLFSA-N 1 0 398.547 3.556 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001171216738 902779254 /nfs/dbraw/zinc/77/92/54/902779254.db2.gz KIFOPEVATCDLLW-GOSISDBHSA-N 1 0 390.487 3.901 20 30 GHEDRO COc1ccc([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)c2c[nH]c3ccccc32)cc1 ZINC000600717468 902840270 /nfs/dbraw/zinc/84/02/70/902840270.db2.gz LQXCBAMDXGSBPT-RXVVDRJESA-N 1 0 389.499 3.953 20 30 GHEDRO COc1ccc(-c2csc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)c2)cc1 ZINC000600727479 902850582 /nfs/dbraw/zinc/85/05/82/902850582.db2.gz JEGRGFAQAGIOIS-GOSISDBHSA-N 1 0 386.517 3.585 20 30 GHEDRO C=CCCO[C@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000129943748 902875452 /nfs/dbraw/zinc/87/54/52/902875452.db2.gz FOUVENNVRIKAGN-UYAOXDASSA-N 1 0 382.508 3.558 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001171221292 902885088 /nfs/dbraw/zinc/88/50/88/902885088.db2.gz KDWNBDBNBZPJQP-SFHVURJKSA-N 1 0 375.472 3.981 20 30 GHEDRO Cc1cccc(Cl)c1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000130180656 902910259 /nfs/dbraw/zinc/91/02/59/902910259.db2.gz YPUIBAUYSFKXOF-UHFFFAOYSA-N 1 0 396.922 3.667 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC001171222004 902916130 /nfs/dbraw/zinc/91/61/30/902916130.db2.gz ZCZKNXPEUFPQQI-QGZVFWFLSA-N 1 0 377.463 3.757 20 30 GHEDRO N#Cc1ccc(CN(C(=O)[C@H](O)c2cccc(Cl)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001144834482 903004068 /nfs/dbraw/zinc/00/40/68/903004068.db2.gz DPYXAHXIAFPVOO-NJDAHSKKSA-N 1 0 397.906 3.544 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001171232780 903047872 /nfs/dbraw/zinc/04/78/72/903047872.db2.gz WJOWVIBUKPWNPC-RHSMWYFYSA-N 1 0 390.409 3.841 20 30 GHEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000543739642 903079246 /nfs/dbraw/zinc/07/92/46/903079246.db2.gz LWTOBMMNWYTKEA-LEOXJPRUSA-N 1 0 394.563 3.686 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000264482188 903126356 /nfs/dbraw/zinc/12/63/56/903126356.db2.gz QNQINOCZUNHINE-KRWDZBQOSA-N 1 0 388.581 3.824 20 30 GHEDRO COc1cc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)ccc1C#N ZINC000887611285 903130691 /nfs/dbraw/zinc/13/06/91/903130691.db2.gz YNERZBHKUWTSQH-UHFFFAOYSA-N 1 0 389.499 3.794 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846835373 903256774 /nfs/dbraw/zinc/25/67/74/903256774.db2.gz JDSHUTOSUHRSPV-UHFFFAOYSA-N 1 0 389.290 3.783 20 30 GHEDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000577976656 903405484 /nfs/dbraw/zinc/40/54/84/903405484.db2.gz SWQPDDALRHOICZ-UHFFFAOYSA-N 1 0 393.422 3.500 20 30 GHEDRO CC(C)[C@@H](c1ccccc1)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264833633 903411213 /nfs/dbraw/zinc/41/12/13/903411213.db2.gz RRDBOUQWEIDRSR-NQIIRXRSSA-N 1 0 388.471 3.841 20 30 GHEDRO CCCCN(C)c1cncc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171275077 903480420 /nfs/dbraw/zinc/48/04/20/903480420.db2.gz OAUBVELBRJRAIO-UHFFFAOYSA-N 1 0 378.524 3.683 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccccc2)c1 ZINC000134218515 903481677 /nfs/dbraw/zinc/48/16/77/903481677.db2.gz QRXPXQGCAKIOKS-SFHVURJKSA-O 1 0 383.537 3.688 20 30 GHEDRO COCCOc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000264963734 903513750 /nfs/dbraw/zinc/51/37/50/903513750.db2.gz OYDMVYZIJVLSMW-UHFFFAOYSA-N 1 0 390.487 3.779 20 30 GHEDRO COc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1NC(C)=O ZINC001171276776 903523517 /nfs/dbraw/zinc/52/35/17/903523517.db2.gz HPVPIZLLLSKRRN-UHFFFAOYSA-N 1 0 378.476 3.624 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001146419419 903533766 /nfs/dbraw/zinc/53/37/66/903533766.db2.gz ITJGVUNAEFJREU-MSOLQXFVSA-N 1 0 381.561 3.617 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(CCC#N)c1C)c1ccccc1Cl ZINC000887706457 903552201 /nfs/dbraw/zinc/55/22/01/903552201.db2.gz BGSQWDBNZHBUAU-IBGZPJMESA-N 1 0 387.915 3.572 20 30 GHEDRO COC(=O)/C=C\c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001171282455 903581541 /nfs/dbraw/zinc/58/15/41/903581541.db2.gz NNCVQWKGGRJWGD-XFXZXTDPSA-N 1 0 375.472 3.843 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC001146802565 903614073 /nfs/dbraw/zinc/61/40/73/903614073.db2.gz CYJNAHVLQDUBCI-UHFFFAOYSA-N 1 0 377.513 3.771 20 30 GHEDRO CCOCCC[NH+]=C(NCc1cc2ccccc2[nH]1)NCc1ccc(OC)cc1 ZINC000303385905 914740709 /nfs/dbraw/zinc/74/07/09/914740709.db2.gz VTZSEXPBWPXRAY-UHFFFAOYSA-N 1 0 394.519 3.839 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2OC)c1 ZINC000772984760 903863244 /nfs/dbraw/zinc/86/32/44/903863244.db2.gz PYYAZVGRKQOWSX-FUHWJXTLSA-N 1 0 381.476 3.883 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000578492995 903901507 /nfs/dbraw/zinc/90/15/07/903901507.db2.gz ODQMZGHKPZVYBN-UHFFFAOYSA-N 1 0 391.862 3.615 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2sc3ccc(C#N)cc3c2C)[C@H](C)C1 ZINC000578558027 903958984 /nfs/dbraw/zinc/95/89/84/903958984.db2.gz XZZDRPQUNNVZHE-DNVCBOLYSA-N 1 0 399.560 3.948 20 30 GHEDRO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000578922511 904227964 /nfs/dbraw/zinc/22/79/64/904227964.db2.gz OIJOBZMRLPKTCD-HXUWFJFHSA-N 1 0 399.535 3.652 20 30 GHEDRO N#Cc1csc(CN2CCC[C@@H](Nc3cccc(Br)c3)C2)n1 ZINC000579047803 904313378 /nfs/dbraw/zinc/31/33/78/904313378.db2.gz IUXDJCXYTQTAGV-CQSZACIVSA-N 1 0 377.311 3.854 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171365299 904352056 /nfs/dbraw/zinc/35/20/56/904352056.db2.gz HQMUCVPLLADYFV-QGZVFWFLSA-N 1 0 376.447 3.543 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(CC#N)cc2)[C@@H]1c1cccs1 ZINC000579105996 904353296 /nfs/dbraw/zinc/35/32/96/904353296.db2.gz KFYNEDSFXYDJDE-UYAOXDASSA-N 1 0 382.533 3.696 20 30 GHEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000773030116 904388423 /nfs/dbraw/zinc/38/84/23/904388423.db2.gz KOAMXQGFMDVGPS-ROUUACIJSA-N 1 0 391.446 3.784 20 30 GHEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000579411892 904576471 /nfs/dbraw/zinc/57/64/71/904576471.db2.gz CWGJKDBXCTYCQR-XMMPIXPASA-N 1 0 399.494 3.757 20 30 GHEDRO CCCN(C(=O)c1cccc(C#CCO)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889488924 904599519 /nfs/dbraw/zinc/59/95/19/904599519.db2.gz RNUGBJFWKZBQGB-UHFFFAOYSA-N 1 0 390.527 3.547 20 30 GHEDRO [NH3+]Cc1nccnc1Nc1ccc(C#Cc2ccc(Br)cc2)cc1 ZINC001171447980 904693968 /nfs/dbraw/zinc/69/39/68/904693968.db2.gz RVBDVTGSVNYOSF-UHFFFAOYSA-N 1 0 379.261 3.841 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC[C@@H]1F ZINC001171532540 904755589 /nfs/dbraw/zinc/75/55/89/904755589.db2.gz CVUHJRBBMFVGJE-AKWBHNSASA-N 1 0 385.323 3.689 20 30 GHEDRO COC(=O)C1(Nc2ccc(CCC#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171506941 904784345 /nfs/dbraw/zinc/78/43/45/904784345.db2.gz MCOLAPFFUNDKLV-UHFFFAOYSA-N 1 0 377.488 3.762 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000188128172 904877529 /nfs/dbraw/zinc/87/75/29/904877529.db2.gz VXZPNINDXUQMNY-UHFFFAOYSA-N 1 0 381.451 3.624 20 30 GHEDRO Cc1c2cccc(C)c2oc1C[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC001171729552 904957304 /nfs/dbraw/zinc/95/73/04/904957304.db2.gz KMYUXAUZAQGEJG-UHFFFAOYSA-N 1 0 386.451 3.781 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1 ZINC001171841919 905091666 /nfs/dbraw/zinc/09/16/66/905091666.db2.gz UZQMITVCDLRPGC-CQSZACIVSA-N 1 0 393.413 3.513 20 30 GHEDRO C[C@@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC000174107246 905204042 /nfs/dbraw/zinc/20/40/42/905204042.db2.gz RGXXBSAZLCZEEE-BXDFRRGMSA-N 1 0 392.459 3.609 20 30 GHEDRO C[NH+]1CCC(C#N)(N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)CC1 ZINC001172057665 905258383 /nfs/dbraw/zinc/25/83/83/905258383.db2.gz QQHIDAXCNHUEKV-GOSISDBHSA-N 1 0 390.572 3.666 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000174510689 905286488 /nfs/dbraw/zinc/28/64/88/905286488.db2.gz AGUOYPZNHXMNQF-SFHVURJKSA-N 1 0 377.488 3.551 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCc2ccccc2OC1)c1cccc(Cl)c1 ZINC000801575194 921143844 /nfs/dbraw/zinc/14/38/44/921143844.db2.gz HUWMDVGWIDEOEJ-GOSISDBHSA-N 1 0 383.879 3.570 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001172302836 905455186 /nfs/dbraw/zinc/45/51/86/905455186.db2.gz RRAJEMNMKSSLKL-CRAIPNDOSA-N 1 0 393.478 3.971 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1F ZINC001172302575 905455230 /nfs/dbraw/zinc/45/52/30/905455230.db2.gz MCFGEBNLYRSTDP-LZQZEXGQSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001172305768 905458799 /nfs/dbraw/zinc/45/87/99/905458799.db2.gz FZQYBBZYBWJMOE-UTKZUKDTSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001172311276 905469569 /nfs/dbraw/zinc/46/95/69/905469569.db2.gz AXLZKNMLIFSBSP-QFBILLFUSA-N 1 0 377.463 3.749 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172297524 905484136 /nfs/dbraw/zinc/48/41/36/905484136.db2.gz FYLPLEXFXWIPON-KRWDZBQOSA-N 1 0 379.479 3.770 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCOC[C@@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001172354729 905524101 /nfs/dbraw/zinc/52/41/01/905524101.db2.gz KLDUDALEKKCHPG-UNMCSNQZSA-N 1 0 382.589 3.711 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cnn(C)c1 ZINC001172355574 905526400 /nfs/dbraw/zinc/52/64/00/905526400.db2.gz CSSKEPNFLGQDMJ-ZRBLBEILSA-N 1 0 390.616 3.877 20 30 GHEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001172356197 905527092 /nfs/dbraw/zinc/52/70/92/905527092.db2.gz VETQCFZKCQCOER-RTWAWAEBSA-N 1 0 394.600 3.855 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)ccc1Oc1ccccc1 ZINC000190130808 905792816 /nfs/dbraw/zinc/79/28/16/905792816.db2.gz CJWPIYGNLZOOSP-NRFANRHFSA-N 1 0 391.471 3.932 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1C ZINC000176936016 905991129 /nfs/dbraw/zinc/99/11/29/905991129.db2.gz YYVUUYNMMFSLND-HXUWFJFHSA-N 1 0 377.492 3.780 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176942548 905993187 /nfs/dbraw/zinc/99/31/87/905993187.db2.gz OMQCMDMHYVWQKF-AWEZNQCLSA-N 1 0 377.535 3.501 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@H]1C#N ZINC001172968264 906029931 /nfs/dbraw/zinc/02/99/31/906029931.db2.gz JWGDPWHLFQOEFB-LDDOYCOJSA-N 1 0 377.435 3.702 20 30 GHEDRO OC[C@H]1CN(Cc2cccc(F)c2OCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000628272758 906035200 /nfs/dbraw/zinc/03/52/00/906035200.db2.gz XUCGFMZQRFIYCX-NEPJUHHUSA-N 1 0 389.311 3.760 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[C@H]1C#N ZINC001172972422 906035621 /nfs/dbraw/zinc/03/56/21/906035621.db2.gz YLKFRVSKRAKWBN-WUCCLRPBSA-N 1 0 375.435 3.989 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@H+]2CCCC[C@H]2CCC(=O)NC)cc1OC ZINC000628275420 906036714 /nfs/dbraw/zinc/03/67/14/906036714.db2.gz MTIYKFDBZXOXPE-INIZCTEOSA-N 1 0 380.916 3.794 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cc(F)cc32)C[C@H]1C#N ZINC001172977943 906044144 /nfs/dbraw/zinc/04/41/44/906044144.db2.gz JQPMCWSLWDFZCH-JKIFEVAISA-N 1 0 393.434 3.670 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2cccc3ccoc32)C[C@H]1C#N ZINC001172978048 906044550 /nfs/dbraw/zinc/04/45/50/906044550.db2.gz HYGPQAZZVPDWLS-IRXDYDNUSA-N 1 0 385.464 3.693 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986021 906052273 /nfs/dbraw/zinc/05/22/73/906052273.db2.gz TWJYLMOOHNYXEE-SVFBPWRDSA-N 1 0 379.504 3.901 20 30 GHEDRO N#CC1(c2ccccc2)CC[NH+](C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001173002062 906076987 /nfs/dbraw/zinc/07/69/87/906076987.db2.gz RIYMQRBYBQCGGL-UHFFFAOYSA-N 1 0 391.490 3.988 20 30 GHEDRO Cc1ccc(C(=[NH2+])NC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1C ZINC001173013714 906090339 /nfs/dbraw/zinc/09/03/39/906090339.db2.gz CYPRCZUAWXYRKP-UHFFFAOYSA-N 1 0 388.418 3.864 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(CCOC3(C)C)CC2)C[C@H]1C#N ZINC001172992802 906103585 /nfs/dbraw/zinc/10/35/85/906103585.db2.gz FQEQVRMLVWDUTB-SJORKVTESA-N 1 0 377.529 3.559 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2Cc3cc(OC)ccc3C[C@@H]2c2ccccc2)CC1 ZINC000177476126 906141007 /nfs/dbraw/zinc/14/10/07/906141007.db2.gz WGEJRIPGAVADAI-XMMPIXPASA-N 1 0 388.511 3.666 20 30 GHEDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190626882 906184739 /nfs/dbraw/zinc/18/47/39/906184739.db2.gz YZBZWFWYLHRUBC-HNAYVOBHSA-N 1 0 399.441 3.920 20 30 GHEDRO CCSC[C@@H](C)NC(=[NH2+])c1nn(Cc2ccc(OC)cc2)c2ccccc21 ZINC001173301191 906358828 /nfs/dbraw/zinc/35/88/28/906358828.db2.gz JPPKYHCBQAZHSC-OAHLLOKOSA-N 1 0 382.533 3.940 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CC1 ZINC001173320658 906368644 /nfs/dbraw/zinc/36/86/44/906368644.db2.gz BZPXPNNEULBKJD-ZSTXGWIISA-N 1 0 386.536 3.736 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)CC1 ZINC001173320801 906370445 /nfs/dbraw/zinc/37/04/45/906370445.db2.gz DIKWZFMWRSTBII-YELUUFJXSA-N 1 0 392.565 3.653 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)CC1 ZINC001173320848 906370986 /nfs/dbraw/zinc/37/09/86/906370986.db2.gz FFJNJGKCNCICMT-AFMYVXGZSA-N 1 0 392.494 3.528 20 30 GHEDRO N#CCC1CCC([NH2+][C@@H]2Cc3ccc(I)cc3C2)CC1 ZINC001173330564 906375912 /nfs/dbraw/zinc/37/59/12/906375912.db2.gz SNJYLCBSPFDQOG-UAIPMZCESA-N 1 0 380.273 3.820 20 30 GHEDRO Cc1cccc(CN2CCO[C@H]3C[N@@H+](C4CCC(CC#N)CC4)CC[C@H]3C2=O)c1 ZINC001173334994 906376985 /nfs/dbraw/zinc/37/69/85/906376985.db2.gz BYQGFXIWPXEGIP-IXFUEQBVSA-N 1 0 395.547 3.517 20 30 GHEDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc(C#N)ccc2Br)CCC1 ZINC001203254778 906419711 /nfs/dbraw/zinc/41/97/11/906419711.db2.gz MKXDXVUTKSVOMS-UHFFFAOYSA-N 1 0 379.298 3.922 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](c3ccccc3)c3ccncc3)CC2)cc1 ZINC001173421725 906456587 /nfs/dbraw/zinc/45/65/87/906456587.db2.gz BIJMUZNBEKIDIX-XMMPIXPASA-N 1 0 396.494 3.937 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(n3c4ccccc4c4c3C[C@H]([NH3+])CC4)CC2)cc1 ZINC001173425092 906460410 /nfs/dbraw/zinc/46/04/10/906460410.db2.gz NXPXSJDYIYRZBO-LJQANCHMSA-N 1 0 398.510 3.806 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCc3cccc(Cl)c3F)CC2)cc1 ZINC001173427310 906463292 /nfs/dbraw/zinc/46/32/92/906463292.db2.gz NTOAURIDHGQBCY-UHFFFAOYSA-N 1 0 385.870 3.788 20 30 GHEDRO COc1ccc(C2([NH2+]C3CCN(C(=O)c4ccc(C#N)cc4)CC3)CCC2)cc1 ZINC001173426717 906463482 /nfs/dbraw/zinc/46/34/82/906463482.db2.gz DSPQQVSIFKPJTH-UHFFFAOYSA-N 1 0 389.499 3.840 20 30 GHEDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1cccc(N(C)C)c1 ZINC001173429705 906466808 /nfs/dbraw/zinc/46/68/08/906466808.db2.gz VOMBYPZDMCJUDP-KRWDZBQOSA-N 1 0 376.504 3.580 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3Cc4cc(F)c(F)cc4C3)C2)C1 ZINC001173480527 906480810 /nfs/dbraw/zinc/48/08/10/906480810.db2.gz GAHVSDMLKYYMNJ-OAQYLSRUSA-N 1 0 376.447 3.543 20 30 GHEDRO COCCC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173597395 906551289 /nfs/dbraw/zinc/55/12/89/906551289.db2.gz RPCLQAZIDIECLW-WBTXTPOCSA-N 1 0 379.545 3.807 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC(NC1(C#N)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001173607075 906559994 /nfs/dbraw/zinc/55/99/94/906559994.db2.gz UCIGRAPHBKGADR-QKDPSFTKSA-N 1 0 395.547 3.646 20 30 GHEDRO CS(=O)(=O)c1ccc(C(=[NH2+])NC2CCC3(CCc4ccccc43)CC2)cc1 ZINC001173685612 906644604 /nfs/dbraw/zinc/64/46/04/906644604.db2.gz XEJZIGYGSGRIKY-UHFFFAOYSA-N 1 0 382.529 3.622 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1)C(=O)NO ZINC001173702837 906653901 /nfs/dbraw/zinc/65/39/01/906653901.db2.gz GPPSJONSBUIGMB-AQKFKSFVSA-N 1 0 382.504 3.633 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000180011687 906659272 /nfs/dbraw/zinc/65/92/72/906659272.db2.gz DKQXMLJHZDRPEY-IRXDYDNUSA-N 1 0 393.491 3.720 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001173732827 906674016 /nfs/dbraw/zinc/67/40/16/906674016.db2.gz YJZCFPAMQXXFDA-KRWDZBQOSA-N 1 0 378.472 3.819 20 30 GHEDRO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2ccc3[nH+]ccn3c2)c1 ZINC001174280834 906937106 /nfs/dbraw/zinc/93/71/06/906937106.db2.gz XYJBCDDJHJQYRO-JHDGKUDLSA-N 1 0 386.455 3.527 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000181414681 906994826 /nfs/dbraw/zinc/99/48/26/906994826.db2.gz QTXFDBSFHGYPRM-KRWDZBQOSA-N 1 0 383.517 3.584 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181884841 907094967 /nfs/dbraw/zinc/09/49/67/907094967.db2.gz VZTXKOZNVUKUJT-DLBZAZTESA-N 1 0 395.532 3.583 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(Br)cc(F)c3C#N)cc2)CC1 ZINC001174817580 907217776 /nfs/dbraw/zinc/21/77/76/907217776.db2.gz SSQLGVCWYTVNHY-UHFFFAOYSA-N 1 0 389.272 3.955 20 30 GHEDRO C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ncc(-c2ccccc2)o1 ZINC000299426472 921309087 /nfs/dbraw/zinc/30/90/87/921309087.db2.gz UXCPWHNUPVIDOE-BBRMVZONSA-N 1 0 378.457 3.731 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000183109721 907328086 /nfs/dbraw/zinc/32/80/86/907328086.db2.gz YSRHFXRMZJAGDA-KRWDZBQOSA-N 1 0 381.476 3.950 20 30 GHEDRO CCc1noc(C2CCC([NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)CC2)n1 ZINC000183924626 907477827 /nfs/dbraw/zinc/47/78/27/907477827.db2.gz VPSMKPCTRPKNDC-UHFFFAOYSA-N 1 0 395.507 3.905 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000184026459 907502447 /nfs/dbraw/zinc/50/24/47/907502447.db2.gz MSQCLNXEXBKSME-SFHVURJKSA-N 1 0 396.478 3.667 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc2c1CCOC2 ZINC000631011584 907562858 /nfs/dbraw/zinc/56/28/58/907562858.db2.gz GWSNETQTHIAWEK-UHFFFAOYSA-N 1 0 398.576 3.858 20 30 GHEDRO COc1cc2c(cc1OC)C1(CCC1)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC001176193018 907968005 /nfs/dbraw/zinc/96/80/05/907968005.db2.gz IZVNRTLNSSQXDH-HXUWFJFHSA-N 1 0 378.472 3.546 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000186961845 908012196 /nfs/dbraw/zinc/01/21/96/908012196.db2.gz UWRNTBWEGNLXAP-JZXOWHBKSA-O 1 0 398.552 3.858 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccccc1 ZINC000186982305 908014107 /nfs/dbraw/zinc/01/41/07/908014107.db2.gz OJLARKMVRJVEJE-UHFFFAOYSA-O 1 0 396.536 3.576 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187782301 908138120 /nfs/dbraw/zinc/13/81/20/908138120.db2.gz QMPCWBKHLPYRAB-UTKZUKDTSA-N 1 0 390.430 3.570 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](C[C@@H](O)c3cccc(C#N)c3)C[C@H]1CCCC2 ZINC001177021929 908367419 /nfs/dbraw/zinc/36/74/19/908367419.db2.gz IUZMHNRXFXRZCG-VIZSFHNOSA-N 1 0 399.535 3.609 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)ccc1OC ZINC000190429526 908485245 /nfs/dbraw/zinc/48/52/45/908485245.db2.gz HSDORYKMCYAUCV-RXVVDRJESA-N 1 0 385.508 3.876 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1OCCCC#N ZINC000191677465 908658006 /nfs/dbraw/zinc/65/80/06/908658006.db2.gz SKARHRIUJKARGM-UHFFFAOYSA-N 1 0 399.466 3.955 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634341848 908680965 /nfs/dbraw/zinc/68/09/65/908680965.db2.gz OHTKMJWYFARGQH-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000801733385 921434177 /nfs/dbraw/zinc/43/41/77/921434177.db2.gz FFPXZQRZMWGADB-FZKQIMNGSA-N 1 0 375.266 3.563 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2OCC#N)c2cccs2)CC1 ZINC000194053224 908856246 /nfs/dbraw/zinc/85/62/46/908856246.db2.gz PFMGQROZWQYJJD-GOSISDBHSA-N 1 0 383.517 3.853 20 30 GHEDRO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cccnc3Br)C2)C1=O ZINC001276022540 921451437 /nfs/dbraw/zinc/45/14/37/921451437.db2.gz KGIOKULZBZZQEP-FQEVSTJZSA-N 1 0 398.304 3.520 20 30 GHEDRO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC001178337996 909004829 /nfs/dbraw/zinc/00/48/29/909004829.db2.gz QTUUDLJIQPWRQB-WMTXJRDZSA-N 1 0 390.531 3.742 20 30 GHEDRO O=C(C#Cc1ccc(F)cc1F)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001178574059 909129334 /nfs/dbraw/zinc/12/93/34/909129334.db2.gz QMLFSADBKHEPCD-MZADTFQBSA-N 1 0 380.438 3.628 20 30 GHEDRO C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000266473732 909182666 /nfs/dbraw/zinc/18/26/66/909182666.db2.gz UZHZSEFUHXOFMA-GHTZIAJQSA-N 1 0 376.504 3.783 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000266504621 909200018 /nfs/dbraw/zinc/20/00/18/909200018.db2.gz FXZHTLICMNEIOR-SFHVURJKSA-N 1 0 397.548 3.801 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001179367263 909509833 /nfs/dbraw/zinc/50/98/33/909509833.db2.gz WYZJYFGNWIDTEN-GOSISDBHSA-N 1 0 389.471 3.736 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000267576517 909554588 /nfs/dbraw/zinc/55/45/88/909554588.db2.gz POJUGTVPXIHZOJ-MSOLQXFVSA-N 1 0 395.532 3.696 20 30 GHEDRO N#Cc1ccc(OCCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795339074 909974562 /nfs/dbraw/zinc/97/45/62/909974562.db2.gz SEQLUCPXCBFBGL-GOSISDBHSA-N 1 0 393.256 3.552 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC[C@H]21 ZINC000268839015 910040964 /nfs/dbraw/zinc/04/09/64/910040964.db2.gz MUUYYIQGQBTLCQ-IEBWSBKVSA-N 1 0 395.532 3.554 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000269441967 910268675 /nfs/dbraw/zinc/26/86/75/910268675.db2.gz STNGWZMVXORCMR-MRXNPFEDSA-N 1 0 380.467 3.804 20 30 GHEDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)OC ZINC000270788740 910702788 /nfs/dbraw/zinc/70/27/88/910702788.db2.gz JKVJAHLBCRSJBV-OAHLLOKOSA-N 1 0 391.537 3.588 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC001181389241 910755014 /nfs/dbraw/zinc/75/50/14/910755014.db2.gz FBOIFTJYZBZJHX-IBGZPJMESA-N 1 0 391.943 3.940 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000795546661 911046665 /nfs/dbraw/zinc/04/66/65/911046665.db2.gz QWDPNJOSPKQKQY-UHFFFAOYSA-N 1 0 394.906 3.996 20 30 GHEDRO COc1ccc(C#CC(=O)Nc2c(F)cccc2OCC2CC[NH+](C)CC2)cc1 ZINC001182049098 911158719 /nfs/dbraw/zinc/15/87/19/911158719.db2.gz ZANQCBGJSCEHNQ-UHFFFAOYSA-N 1 0 396.462 3.545 20 30 GHEDRO COc1cccc(C2([NH2+]CCCOc3ccc(C#N)cc3)CCOCC2)c1F ZINC000773985251 911233077 /nfs/dbraw/zinc/23/30/77/911233077.db2.gz LBBQPSACKFYDSV-UHFFFAOYSA-N 1 0 384.451 3.770 20 30 GHEDRO C#CCOc1ccccc1C[NH+]1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000092103802 911400174 /nfs/dbraw/zinc/40/01/74/911400174.db2.gz NXZUUOQWLNMSCK-UHFFFAOYSA-N 1 0 381.472 3.759 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(Oc3c(OC)cccc3OC)CC2)cc1 ZINC000092103777 911400275 /nfs/dbraw/zinc/40/02/75/911400275.db2.gz NXHNDVDBWACTDH-UHFFFAOYSA-N 1 0 381.472 3.759 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N(CCC#N)Cc2cccnc2)C1 ZINC001182321134 911480192 /nfs/dbraw/zinc/48/01/92/911480192.db2.gz IFXRRUWFNFDRDY-QFIPXVFZSA-N 1 0 376.504 3.545 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)CCc1cccc(C#N)c1 ZINC001182340676 911510262 /nfs/dbraw/zinc/51/02/62/911510262.db2.gz SSSBVWUDQFOSGJ-CVDCTZTESA-N 1 0 375.516 3.860 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000774395732 911707809 /nfs/dbraw/zinc/70/78/09/911707809.db2.gz JUGCRDZSXSZJSH-HOCLYGCPSA-N 1 0 377.406 3.618 20 30 GHEDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000284070578 911742417 /nfs/dbraw/zinc/74/24/17/911742417.db2.gz QKFCOVSBOOOWNP-OAQYLSRUSA-N 1 0 397.519 3.779 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc(C#N)c1 ZINC000466803126 911817368 /nfs/dbraw/zinc/81/73/68/911817368.db2.gz ATCQTDGFNKQAAO-HSZRJFAPSA-N 1 0 390.531 3.654 20 30 GHEDRO C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000284372394 911844435 /nfs/dbraw/zinc/84/44/35/911844435.db2.gz FBYQQNQYRNQLGI-XIKOKIGWSA-N 1 0 399.292 3.784 20 30 GHEDRO N#Cc1ccc2c(c1)C[N@H+](CC1CCN(C(=O)OCc3ccccc3)CC1)C2 ZINC001182595098 911901209 /nfs/dbraw/zinc/90/12/09/911901209.db2.gz OTJXUGHYANPGSF-UHFFFAOYSA-N 1 0 375.472 3.923 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284585202 911937229 /nfs/dbraw/zinc/93/72/29/911937229.db2.gz KEGAORVAQBHAIW-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(C)c3Br)CC2)C1=O ZINC001275006622 912107316 /nfs/dbraw/zinc/10/73/16/912107316.db2.gz XUYYENKBIXAZRA-FQEVSTJZSA-N 1 0 389.337 3.595 20 30 GHEDRO N#Cc1c(N)sc(C[NH+]2CCC3(CCN(C4CCCC4)C3=O)CC2)c1Cl ZINC001275014187 912122551 /nfs/dbraw/zinc/12/25/51/912122551.db2.gz HCDVTHPZNILZCE-UHFFFAOYSA-N 1 0 392.956 3.612 20 30 GHEDRO CC(C)CN1CC[C@@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014658 912148076 /nfs/dbraw/zinc/14/80/76/912148076.db2.gz AAECPLORAQRJMM-IBGZPJMESA-N 1 0 394.972 3.716 20 30 GHEDRO C#Cc1cccc(NC(=S)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000774563331 912152967 /nfs/dbraw/zinc/15/29/67/912152967.db2.gz DWVHGJTVNMMQKC-UHFFFAOYSA-N 1 0 393.556 3.672 20 30 GHEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000796354126 914900229 /nfs/dbraw/zinc/90/02/29/914900229.db2.gz WHWAKLTXJHAIKQ-DIOULYMOSA-N 1 0 388.817 3.846 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc(OCC#N)cc1 ZINC000291160548 915012893 /nfs/dbraw/zinc/01/28/93/915012893.db2.gz ILSTUPXSFMRZNU-DLBZAZTESA-N 1 0 378.476 3.920 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccccc1OC ZINC000775089779 915063416 /nfs/dbraw/zinc/06/34/16/915063416.db2.gz SQNPRWAHERTDEL-QZTJIDSGSA-N 1 0 386.455 3.973 20 30 GHEDRO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)cc1)CC2 ZINC001275590016 915075837 /nfs/dbraw/zinc/07/58/37/915075837.db2.gz QBSLLEYZRGPGKF-QGZVFWFLSA-N 1 0 377.326 3.744 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008784 921744610 /nfs/dbraw/zinc/74/46/10/921744610.db2.gz IMIXBBWVAVLOJI-QFIPXVFZSA-N 1 0 385.508 3.790 20 30 GHEDRO [NH2+]=C(NCCCn1cnc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000303783180 915125695 /nfs/dbraw/zinc/12/56/95/915125695.db2.gz NYXSTYMXNDZLIM-UHFFFAOYSA-N 1 0 377.370 3.752 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1Cl ZINC000303780211 915126062 /nfs/dbraw/zinc/12/60/62/915126062.db2.gz LECRSBHOPREGLN-LLVKDONJSA-N 1 0 389.327 3.874 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCSCC3)cc2)cc1Cl ZINC000303869592 915227502 /nfs/dbraw/zinc/22/75/02/915227502.db2.gz DYJWEFQDXYHRJA-UHFFFAOYSA-N 1 0 390.940 3.829 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1Cl ZINC000303885932 915298434 /nfs/dbraw/zinc/29/84/34/915298434.db2.gz NNKPCNZUSDQUMO-LBPRGKRZSA-N 1 0 394.853 3.880 20 30 GHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCc2ccccc2C1 ZINC000303895163 915300733 /nfs/dbraw/zinc/30/07/33/915300733.db2.gz TUGFNXLXQUEZIK-AWEZNQCLSA-N 1 0 392.425 3.759 20 30 GHEDRO COc1ccc(C2(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CCOCC2)cc1 ZINC000303906314 915307580 /nfs/dbraw/zinc/30/75/80/915307580.db2.gz ZVUFCVXYZQPFCW-SFHVURJKSA-N 1 0 375.557 3.863 20 30 GHEDRO CC(=O)Nc1cccc(OCC[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000303968064 915342626 /nfs/dbraw/zinc/34/26/26/915342626.db2.gz AFVLTGLQDINZSJ-UHFFFAOYSA-N 1 0 380.492 3.978 20 30 GHEDRO [NH2+]=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000303988499 915350452 /nfs/dbraw/zinc/35/04/52/915350452.db2.gz WRBGCADIQCEUFK-OAQYLSRUSA-N 1 0 398.938 3.629 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)C(=O)N(CCC#N)c1ccccc1 ZINC000291811104 915374214 /nfs/dbraw/zinc/37/42/14/915374214.db2.gz CYBYWWICDJUAPN-FTRWYGJKSA-N 1 0 383.517 3.675 20 30 GHEDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)cn2)C[C@H](C)O1 ZINC000304654022 915587019 /nfs/dbraw/zinc/58/70/19/915587019.db2.gz HRDDEPGBTHRWRY-IRXDYDNUSA-N 1 0 393.535 3.501 20 30 GHEDRO Cc1ccoc1C(=O)NCCCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000304756993 915672599 /nfs/dbraw/zinc/67/25/99/915672599.db2.gz OILIIVPPARTWAP-LBPRGKRZSA-N 1 0 397.306 3.680 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[NH2+]C3(Cc4cccc(F)c4)CCOCC3)o2)cc1 ZINC000292940310 915913167 /nfs/dbraw/zinc/91/31/67/915913167.db2.gz HSMMITNTPIIFJF-UHFFFAOYSA-N 1 0 392.434 3.629 20 30 GHEDRO CC[N@H+](CCCCC(C)(C)C#N)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000293034804 915965565 /nfs/dbraw/zinc/96/55/65/915965565.db2.gz RTCRZNOJWBDGAX-HXUWFJFHSA-N 1 0 376.541 3.657 20 30 GHEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccco1 ZINC000305197152 915991143 /nfs/dbraw/zinc/99/11/43/915991143.db2.gz DWHOVTATBOEFSJ-CQSZACIVSA-N 1 0 384.402 3.988 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(F)cc(Br)c3)CC2)C1=O ZINC001275708684 916246280 /nfs/dbraw/zinc/24/62/80/916246280.db2.gz FKWONNDHNWJFKV-UHFFFAOYSA-N 1 0 381.289 3.589 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC4(CC3)OCCCO4)c2)c1 ZINC000293616178 916293007 /nfs/dbraw/zinc/29/30/07/916293007.db2.gz KKODCXPLQSILBY-UHFFFAOYSA-N 1 0 378.472 3.866 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cc(F)ccc3Br)CC2)C1=O ZINC001275722345 916383243 /nfs/dbraw/zinc/38/32/43/916383243.db2.gz NXBRFTPJXIKPOP-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)cc3F)CC2)C1=O ZINC001275724202 916405216 /nfs/dbraw/zinc/40/52/16/916405216.db2.gz ONPKVCMAYYVSTO-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cccc2ccc(C)nc21)C(C)C ZINC001189254552 916499296 /nfs/dbraw/zinc/49/92/96/916499296.db2.gz XYGAUFIJPIFZEW-LJQANCHMSA-N 1 0 387.549 3.520 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775255433 916654565 /nfs/dbraw/zinc/65/45/65/916654565.db2.gz QHMYRKCNKNUAEJ-HNNXBMFYSA-N 1 0 387.430 3.847 20 30 GHEDRO C[N@H+](Cc1cccc(Br)c1OCC(C)(C)O)[C@H]1CC[C@H](C#N)C1 ZINC000294682958 916931340 /nfs/dbraw/zinc/93/13/40/916931340.db2.gz SQFFXJVEUUSDAI-ZFWWWQNUSA-N 1 0 381.314 3.723 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000775379269 917308290 /nfs/dbraw/zinc/30/82/90/917308290.db2.gz PFBICRYIPKTHNC-DEOSSOPVSA-N 1 0 375.516 3.934 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796468265 917588626 /nfs/dbraw/zinc/58/86/26/917588626.db2.gz RQWBOJKMFBIVGV-FQEVSTJZSA-N 1 0 393.487 3.575 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000651540290 917651490 /nfs/dbraw/zinc/65/14/90/917651490.db2.gz KHNMPWJZMQPEBM-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC001190978281 917679199 /nfs/dbraw/zinc/67/91/99/917679199.db2.gz YQJBKWQEMBRSTH-UHFFFAOYSA-N 1 0 376.500 3.925 20 30 GHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NCC2CC[NH+](C3CCCCC3)CC2)c1 ZINC001190989253 917688462 /nfs/dbraw/zinc/68/84/62/917688462.db2.gz XGCIBMBMJIPMIN-UHFFFAOYSA-N 1 0 395.956 3.535 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCOCC2)cc1Cl ZINC000775441903 917796022 /nfs/dbraw/zinc/79/60/22/917796022.db2.gz ZROPGVAUJLKRGE-OAQYLSRUSA-N 1 0 383.879 3.908 20 30 GHEDRO CC(C)C[N@H+](CCC#N)C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001191134218 917805015 /nfs/dbraw/zinc/80/50/15/917805015.db2.gz XANKEQFJHNVNTC-GOSISDBHSA-N 1 0 379.545 3.664 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC1CC[NH2+]CC1 ZINC000652312416 917871355 /nfs/dbraw/zinc/87/13/55/917871355.db2.gz OLOJCISFOOCGEM-UHFFFAOYSA-N 1 0 398.320 3.676 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1=O ZINC001275819791 917947545 /nfs/dbraw/zinc/94/75/45/917947545.db2.gz TYRGWULVGCLOJC-FQEVSTJZSA-N 1 0 385.920 3.521 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000296381835 918209888 /nfs/dbraw/zinc/20/98/88/918209888.db2.gz FTUHKOKHDAIPKP-QBWPOKONSA-N 1 0 392.906 3.853 20 30 GHEDRO C=CCCn1cc(CN[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)nn1 ZINC000653612552 918355254 /nfs/dbraw/zinc/35/52/54/918355254.db2.gz VYUOVFPPBCKWFT-FQEVSTJZSA-N 1 0 389.494 3.838 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653710921 918439741 /nfs/dbraw/zinc/43/97/41/918439741.db2.gz FRGBQCLEEMLNGY-QFBILLFUSA-N 1 0 386.565 3.510 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000115432384 919453029 /nfs/dbraw/zinc/45/30/29/919453029.db2.gz PSVVERAGKBGCEJ-MRXNPFEDSA-N 1 0 381.451 3.903 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(COc3ccccc3C#N)o2)([NH+](C)C)C1 ZINC000115672447 919464329 /nfs/dbraw/zinc/46/43/29/919464329.db2.gz CLUNLBADDZVGTL-HXOBKFHXSA-N 1 0 395.503 3.971 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000115840429 919472581 /nfs/dbraw/zinc/47/25/81/919472581.db2.gz BENCHXYTNQGWRK-QFIPXVFZSA-N 1 0 396.494 3.727 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1OCCCC#N ZINC000116366297 919504533 /nfs/dbraw/zinc/50/45/33/919504533.db2.gz GEHRSVXTZGWNLL-MOPGFXCFSA-N 1 0 387.524 3.551 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3c(F)cc(C#N)cc3F)c2)CC1 ZINC000118975822 919598701 /nfs/dbraw/zinc/59/87/01/919598701.db2.gz JIDOSHTUKMAGGS-UHFFFAOYSA-N 1 0 384.430 3.619 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000800313110 919890258 /nfs/dbraw/zinc/89/02/58/919890258.db2.gz DWVQVAUBDCCBRA-HSZRJFAPSA-N 1 0 386.499 3.729 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)CC1 ZINC000800565950 920275966 /nfs/dbraw/zinc/27/59/66/920275966.db2.gz BGFOIEFEUFKQOV-UHFFFAOYSA-N 1 0 388.471 3.522 20 30 GHEDRO CC(C)[NH+]1CCN(CCCC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000900638570 920479871 /nfs/dbraw/zinc/47/98/71/920479871.db2.gz XFVKHOIPYRPXQJ-SFHVURJKSA-N 1 0 388.581 3.826 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000298437845 920533438 /nfs/dbraw/zinc/53/34/38/920533438.db2.gz JEOWGEBPGFAQCF-UHFFFAOYSA-N 1 0 383.521 3.600 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000298674594 920793303 /nfs/dbraw/zinc/79/33/03/920793303.db2.gz BRZXTIYNJWEZBN-QGZVFWFLSA-N 1 0 386.517 3.642 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000801426245 921021101 /nfs/dbraw/zinc/02/11/01/921021101.db2.gz WQPLQVZGNXJJGN-INIZCTEOSA-N 1 0 379.460 3.584 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1=O ZINC000366960740 921842351 /nfs/dbraw/zinc/84/23/51/921842351.db2.gz HSEGDGQVGSJPAA-MSOLQXFVSA-N 1 0 382.426 3.550 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1COCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000367903941 922370086 /nfs/dbraw/zinc/37/00/86/922370086.db2.gz OGOKDEAEOQEGOZ-KSZLIROESA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000368003315 922418912 /nfs/dbraw/zinc/41/89/12/922418912.db2.gz XHZYXRMKQQGMMH-INIZCTEOSA-N 1 0 385.899 3.509 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C#N)c1 ZINC000902758981 922473036 /nfs/dbraw/zinc/47/30/36/922473036.db2.gz MKCUKCCOCWKJAZ-UNMCSNQZSA-N 1 0 376.504 3.501 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1C ZINC000368147479 922503055 /nfs/dbraw/zinc/50/30/55/922503055.db2.gz KJAORTFJXQKLAC-OAQYLSRUSA-N 1 0 376.504 3.510 20 30 GHEDRO C[C@]1(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000803339445 922901826 /nfs/dbraw/zinc/90/18/26/922901826.db2.gz OBUTYUCSBDKBSU-HSZRJFAPSA-N 1 0 391.490 3.757 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000803366742 922917820 /nfs/dbraw/zinc/91/78/20/922917820.db2.gz LKDXXSREMBJWDO-NRFANRHFSA-N 1 0 399.922 3.984 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000370296203 924017929 /nfs/dbraw/zinc/01/79/29/924017929.db2.gz YSDJZCUDBYVVBS-SFHVURJKSA-N 1 0 389.421 3.561 20 30 GHEDRO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000370533886 924152638 /nfs/dbraw/zinc/15/26/38/924152638.db2.gz PWYKTNIMLNESGX-QHCPKHFHSA-N 1 0 384.520 3.727 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)cc1 ZINC000371422392 924574107 /nfs/dbraw/zinc/57/41/07/924574107.db2.gz GUGZHWYJEOOXDT-HSZRJFAPSA-N 1 0 388.515 3.984 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1F ZINC000371541557 924649704 /nfs/dbraw/zinc/64/97/04/924649704.db2.gz CKDGLPLGKALJNF-INIZCTEOSA-N 1 0 383.442 3.743 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccsc1 ZINC000409461078 924653972 /nfs/dbraw/zinc/65/39/72/924653972.db2.gz XPOVYWPUMOKDRW-FQEVSTJZSA-N 1 0 393.516 3.618 20 30 GHEDRO COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000827044207 924662459 /nfs/dbraw/zinc/66/24/59/924662459.db2.gz IUSFSUKJRSUCAB-OXJNMPFZSA-N 1 0 378.472 3.974 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000371564163 924675936 /nfs/dbraw/zinc/67/59/36/924675936.db2.gz ZJTOCPJVAPCJRG-JOCHJYFZSA-N 1 0 394.563 3.651 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000678798687 924927728 /nfs/dbraw/zinc/92/77/28/924927728.db2.gz JQDDGCMPVVXUCF-OALUTQOASA-N 1 0 396.453 3.940 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(C)ccc1Br)CC2 ZINC001137380179 925195316 /nfs/dbraw/zinc/19/53/16/925195316.db2.gz BSNYZWBGIKNELD-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ccccn3)CC1)CCC2 ZINC000372220200 925255735 /nfs/dbraw/zinc/25/57/35/925255735.db2.gz YXBJJMSDLAYIDZ-UHFFFAOYSA-N 1 0 380.517 3.712 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3ccc(N4CCC[N@@H+](C)CC4)nc3)no2)cc1 ZINC000680736139 925584872 /nfs/dbraw/zinc/58/48/72/925584872.db2.gz IOKWXDQYFIEZMY-UHFFFAOYSA-N 1 0 391.475 3.505 20 30 GHEDRO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000372852027 925743840 /nfs/dbraw/zinc/74/38/40/925743840.db2.gz MGNGLTAZAYZXNL-XMSQKQJNSA-N 1 0 389.434 3.696 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CCOCC1 ZINC000827559273 925808588 /nfs/dbraw/zinc/80/85/88/925808588.db2.gz DHJHURXGCZNQIR-OAHLLOKOSA-N 1 0 376.216 3.986 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1)C1CCOCC1 ZINC000827565973 925822423 /nfs/dbraw/zinc/82/24/23/925822423.db2.gz QLWQAIKWGSPUOG-OAQYLSRUSA-N 1 0 381.520 3.832 20 30 GHEDRO COc1cc(C[NH2+][C@@H](CO)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000543813742 925866315 /nfs/dbraw/zinc/86/63/15/925866315.db2.gz TZTQITWBJUPCRA-QFIPXVFZSA-N 1 0 388.467 3.969 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(C)cc(Cl)c3ccccc32)CC1 ZINC000411232461 926230650 /nfs/dbraw/zinc/23/06/50/926230650.db2.gz VOKRQPAVXQUQOH-UHFFFAOYSA-N 1 0 399.922 3.897 20 30 GHEDRO CCCC[N@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C1CCCCC1 ZINC000725772434 926432701 /nfs/dbraw/zinc/43/27/01/926432701.db2.gz HEYLGIDKTRHRNX-JOCHJYFZSA-N 1 0 382.508 3.718 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000411472665 926436195 /nfs/dbraw/zinc/43/61/95/926436195.db2.gz ULVGOPYPGQNOJR-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411633686 926581626 /nfs/dbraw/zinc/58/16/26/926581626.db2.gz SWUNBBWVAYDRFM-UHFFFAOYSA-N 1 0 387.915 3.711 20 30 GHEDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000411637917 926596226 /nfs/dbraw/zinc/59/62/26/926596226.db2.gz GMFYVVZUFGHYCA-HXUWFJFHSA-N 1 0 385.895 3.890 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000726698165 926812228 /nfs/dbraw/zinc/81/22/28/926812228.db2.gz XDZAKFYPFRUCGY-HNNXBMFYSA-N 1 0 386.289 3.802 20 30 GHEDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCC1 ZINC000412025668 927012860 /nfs/dbraw/zinc/01/28/60/927012860.db2.gz QMKYAAOLCAYACF-MRXNPFEDSA-N 1 0 398.482 3.591 20 30 GHEDRO CCCCCC[C@H](C)NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000749249632 927016861 /nfs/dbraw/zinc/01/68/61/927016861.db2.gz FGWNVXZKLLWOHK-SFHVURJKSA-N 1 0 398.551 3.684 20 30 GHEDRO Cc1cc(NC(=O)c2sccc2C#N)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374416933 927114968 /nfs/dbraw/zinc/11/49/68/927114968.db2.gz AZVFPMZSEDBZHG-GOSISDBHSA-N 1 0 391.500 3.824 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000374443006 927147969 /nfs/dbraw/zinc/14/79/69/927147969.db2.gz LZAFOMZLTIUMCZ-KRWDZBQOSA-N 1 0 380.517 3.589 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc(OC)c1O ZINC000749926935 927353261 /nfs/dbraw/zinc/35/32/61/927353261.db2.gz QXUALSCOACUNHH-GOSISDBHSA-N 1 0 386.879 3.678 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000750837209 927886942 /nfs/dbraw/zinc/88/69/42/927886942.db2.gz NHXRPWYJRSBLCU-WOJBJXKFSA-N 1 0 397.544 3.604 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)nc(C(F)F)n2C)C(C)C ZINC000467282655 928913031 /nfs/dbraw/zinc/91/30/31/928913031.db2.gz CLQSKDFKTGCNKV-GOSISDBHSA-N 1 0 390.478 3.939 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C2CC2)cc1 ZINC000544289596 929023333 /nfs/dbraw/zinc/02/33/33/929023333.db2.gz SMUQBSIPZVGILT-HSZRJFAPSA-N 1 0 388.515 3.897 20 30 GHEDRO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)C1=O ZINC000467519035 929151040 /nfs/dbraw/zinc/15/10/40/929151040.db2.gz HRDQTNDAAISBOD-JOCHJYFZSA-N 1 0 396.487 3.715 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)ns1 ZINC000467527791 929161799 /nfs/dbraw/zinc/16/17/99/929161799.db2.gz BKNBLIMFKAIXJL-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000753099030 929205095 /nfs/dbraw/zinc/20/50/95/929205095.db2.gz RIIFPHMHAWJJCQ-DNVJHFABSA-N 1 0 391.515 3.697 20 30 GHEDRO COCC[N@@H+]1CC[C@H](Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000753570504 929425224 /nfs/dbraw/zinc/42/52/24/929425224.db2.gz OENZBGCBKFFGBM-IBGZPJMESA-N 1 0 385.895 3.923 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000753940165 929603004 /nfs/dbraw/zinc/60/30/04/929603004.db2.gz MXOTWHWOEBNFAM-FGZHOGPDSA-N 1 0 394.519 3.820 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)CC1 ZINC000469155837 929638407 /nfs/dbraw/zinc/63/84/07/929638407.db2.gz ZBFPDRBHEVMUMB-UHFFFAOYSA-N 1 0 387.430 3.922 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000469167165 929647160 /nfs/dbraw/zinc/64/71/60/929647160.db2.gz ZHQABPLFJNKMLX-UHFFFAOYSA-N 1 0 388.471 3.985 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C#N)c3ccc(Cl)cc3)CC2)c1 ZINC000469174196 929653633 /nfs/dbraw/zinc/65/36/33/929653633.db2.gz VTLNVFUCHIPLKW-OAQYLSRUSA-N 1 0 396.922 3.542 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2nc3ccccc3c(=O)[nH]2)ccc1O ZINC000757583516 929735437 /nfs/dbraw/zinc/73/54/37/929735437.db2.gz LNZPRAOZXNOBTC-UHFFFAOYSA-N 1 0 379.464 3.719 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000757606439 929741731 /nfs/dbraw/zinc/74/17/31/929741731.db2.gz PWJFQFFRXOPFQT-FGZHOGPDSA-N 1 0 391.515 3.896 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000757608514 929743218 /nfs/dbraw/zinc/74/32/18/929743218.db2.gz ZXCAIUFFXNIUAA-PKTZIBPZSA-N 1 0 391.515 3.896 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)cc1OC ZINC000545999382 929759806 /nfs/dbraw/zinc/75/98/06/929759806.db2.gz ONBIGRBEZLOWNE-FQEVSTJZSA-N 1 0 392.503 3.943 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)[C@]12CCCO2 ZINC000546056720 929811606 /nfs/dbraw/zinc/81/16/06/929811606.db2.gz QPVHQYBGYMAINM-WXFUMESZSA-N 1 0 392.499 3.953 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000546573757 930272428 /nfs/dbraw/zinc/27/24/28/930272428.db2.gz GYXFBPFMFZTNJK-UHFFFAOYSA-N 1 0 379.277 3.984 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000469988450 930298052 /nfs/dbraw/zinc/29/80/52/930298052.db2.gz BKHUZBOCKHFXQB-BBRMVZONSA-N 1 0 383.330 3.582 20 30 GHEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCCO1 ZINC000470109565 930381084 /nfs/dbraw/zinc/38/10/84/930381084.db2.gz BXRCEGSKGMEBAX-GOSISDBHSA-N 1 0 393.487 3.581 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(COc3ccccc3C#N)n2)cc1 ZINC000547012940 930611793 /nfs/dbraw/zinc/61/17/93/930611793.db2.gz WHWFQZCZSAPKSI-UHFFFAOYSA-N 1 0 392.459 3.908 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000470498570 930665284 /nfs/dbraw/zinc/66/52/84/930665284.db2.gz SGOLFTGFSFOBFC-UHFFFAOYSA-N 1 0 375.432 3.583 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)OC[C@H](C#N)Cc3cccs3)cc2)CC1 ZINC000781469209 930858453 /nfs/dbraw/zinc/85/84/53/930858453.db2.gz NHYIRCDEJDSQNS-SFHVURJKSA-N 1 0 397.544 3.818 20 30 GHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000470993291 931082297 /nfs/dbraw/zinc/08/22/97/931082297.db2.gz KBIBFGXMMMMWPB-FQEVSTJZSA-N 1 0 382.895 3.551 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000782450171 931221615 /nfs/dbraw/zinc/22/16/15/931221615.db2.gz CSBUFPDQAFZDRJ-JOCHJYFZSA-N 1 0 390.556 3.674 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000924762861 931528930 /nfs/dbraw/zinc/52/89/30/931528930.db2.gz BTNSXCPZZUETKS-LSTHTHJFSA-N 1 0 399.535 3.554 20 30 GHEDRO COC1([C@@H]([NH2+]C2CCN(CC#N)CC2)c2cccc(C(F)(F)F)c2)CCC1 ZINC000924999391 931608652 /nfs/dbraw/zinc/60/86/52/931608652.db2.gz IPSZZEGFFFKFQD-SFHVURJKSA-N 1 0 381.442 3.893 20 30 GHEDRO CC[C@@H](C)[NH2+][C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000557691496 931613665 /nfs/dbraw/zinc/61/36/65/931613665.db2.gz CMJNXZHDMMQOQW-ACJLOTCBSA-N 1 0 379.420 3.571 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNC(=S)Nc1cccc(Cl)c1C ZINC000783800855 931658377 /nfs/dbraw/zinc/65/83/77/931658377.db2.gz ZJCRJXYAGDJRHZ-UHFFFAOYSA-N 1 0 384.896 3.858 20 30 GHEDRO CCCc1c(NC(=S)NCC(C)(C)C[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000783953958 931729464 /nfs/dbraw/zinc/72/94/64/931729464.db2.gz QDSJJOCLKNWPDF-UHFFFAOYSA-N 1 0 398.580 3.571 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1O ZINC000777556956 931732491 /nfs/dbraw/zinc/73/24/91/931732491.db2.gz IGTDKQPLLBATNS-HSZRJFAPSA-N 1 0 378.472 3.615 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCc1nccs1 ZINC000925443487 931785151 /nfs/dbraw/zinc/78/51/51/931785151.db2.gz QIMGKSYICJOIDH-MRXNPFEDSA-N 1 0 392.569 3.985 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000558457148 932011601 /nfs/dbraw/zinc/01/16/01/932011601.db2.gz TVPZEGUQXVKWRT-GOSISDBHSA-N 1 0 376.508 3.560 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000558602664 932101791 /nfs/dbraw/zinc/10/17/91/932101791.db2.gz YYGWUSKEOKGMAU-ZDUSSCGKSA-N 1 0 398.320 3.989 20 30 GHEDRO COc1c(C)cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000796965605 932126469 /nfs/dbraw/zinc/12/64/69/932126469.db2.gz QKHGNRZSXXLPDX-YWZLYKJASA-N 1 0 397.906 3.980 20 30 GHEDRO Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCN(c3ccccc3C#N)CC2)n(C)n1 ZINC000926787074 932306904 /nfs/dbraw/zinc/30/69/04/932306904.db2.gz SZVJVYNWIKWDOD-XMSQKQJNSA-N 1 0 377.536 3.570 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000558984094 932355967 /nfs/dbraw/zinc/35/59/67/932355967.db2.gz MGXMHHJHMRRNTB-WIYYLYMNSA-N 1 0 395.551 3.699 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(N=Nc2ccccc2S(C)(=O)=O)CC1 ZINC000797787041 932407811 /nfs/dbraw/zinc/40/78/11/932407811.db2.gz YFDHAZIIABLBKW-UHFFFAOYSA-N 1 0 385.533 3.933 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCSC4(CCC4)C3)CC2)cc1 ZINC000927259785 932466669 /nfs/dbraw/zinc/46/66/69/932466669.db2.gz UAZUWAHHCYQUIC-FQEVSTJZSA-N 1 0 398.576 3.594 20 30 GHEDRO C#Cc1cncc(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000798165339 932549918 /nfs/dbraw/zinc/54/99/18/932549918.db2.gz GBHOPUGXQQOSHD-UHFFFAOYSA-N 1 0 390.314 3.964 20 30 GHEDRO C#CCCCCC(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000798240456 932573766 /nfs/dbraw/zinc/57/37/66/932573766.db2.gz HMYBCTRYFVELGR-UHFFFAOYSA-N 1 0 380.330 3.713 20 30 GHEDRO C[C@@]1(CNC(=O)c2cc3ccccc3n2CC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000798526396 932691002 /nfs/dbraw/zinc/69/10/02/932691002.db2.gz QIEVXZSQLPEUCM-DEOSSOPVSA-N 1 0 386.499 3.807 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000799141825 932886725 /nfs/dbraw/zinc/88/67/25/932886725.db2.gz CNGPHLFCAOBKMP-QZTJIDSGSA-N 1 0 379.545 3.712 20 30 GHEDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000559919131 932955110 /nfs/dbraw/zinc/95/51/10/932955110.db2.gz LYJUPDCYQOHRCS-CYBMUJFWSA-N 1 0 380.872 3.865 20 30 GHEDRO CC(=[NH+]NCCCN1CCOCC1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000799490229 933019259 /nfs/dbraw/zinc/01/92/59/933019259.db2.gz VEEPHIGJORRRCH-UHFFFAOYSA-N 1 0 382.533 3.931 20 30 GHEDRO N#Cc1ccc(N2CCC(Nc3cccc(C[NH+]4CCC(O)CC4)c3)CC2)cc1 ZINC000560553560 933336422 /nfs/dbraw/zinc/33/64/22/933336422.db2.gz GFUIKLMDNYTAAO-UHFFFAOYSA-N 1 0 390.531 3.596 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C3(Cc4ccc(F)cc4Cl)CCOCC3)n2c1 ZINC000560612211 933386865 /nfs/dbraw/zinc/38/68/65/933386865.db2.gz WKCGNNKBYMLUFP-UHFFFAOYSA-N 1 0 398.869 3.880 20 30 GHEDRO C#CC1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001118124621 934092160 /nfs/dbraw/zinc/09/21/60/934092160.db2.gz ITXDIOPEQUPDLQ-VQIMIIECSA-N 1 0 377.891 3.527 20 30 GHEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c1 ZINC001118148200 934098114 /nfs/dbraw/zinc/09/81/14/934098114.db2.gz REFVNBMOLVVLSQ-INIZCTEOSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)n1 ZINC000930770992 934231805 /nfs/dbraw/zinc/23/18/05/934231805.db2.gz IWILTEUMHOIXDB-UHFFFAOYSA-N 1 0 398.898 3.536 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 ZINC001119755897 934391426 /nfs/dbraw/zinc/39/14/26/934391426.db2.gz XYSGPYSMKYPMGX-UHFFFAOYSA-N 1 0 377.488 3.623 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)C12CCC2 ZINC000931184987 934423179 /nfs/dbraw/zinc/42/31/79/934423179.db2.gz IBMYXRBTGIHIOX-KRWDZBQOSA-N 1 0 377.529 3.609 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000561864280 934516298 /nfs/dbraw/zinc/51/62/98/934516298.db2.gz GPUDTBDOGQVJKC-UHFFFAOYSA-N 1 0 394.357 3.644 20 30 GHEDRO C=C(C)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC001120920601 934536203 /nfs/dbraw/zinc/53/62/03/934536203.db2.gz HSZYFQIUMNIZFZ-XLIONFOSSA-N 1 0 397.544 3.919 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001121501563 934676322 /nfs/dbraw/zinc/67/63/22/934676322.db2.gz BEGJTPNQVJAHLK-AZUAARDMSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001121501566 934676429 /nfs/dbraw/zinc/67/64/29/934676429.db2.gz BEGJTPNQVJAHLK-UYAOXDASSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c([C@@H]2CC=NO2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121559608 934697909 /nfs/dbraw/zinc/69/79/09/934697909.db2.gz QAPVZKGSCALJNJ-HOJAQTOUSA-N 1 0 394.523 3.573 20 30 GHEDRO C=CCn1c(COC2CCCCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121584729 934707809 /nfs/dbraw/zinc/70/78/09/934707809.db2.gz VXXQXADYBRNSDS-UHFFFAOYSA-N 1 0 387.572 3.768 20 30 GHEDRO CCn1c(-c2coc(C#N)c2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001121733117 934750748 /nfs/dbraw/zinc/75/07/48/934750748.db2.gz HJSYXAMWFOFERK-UHFFFAOYSA-N 1 0 382.512 3.665 20 30 GHEDRO C=C(C)[C@H](NC(=O)NCC1(SC)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000562243529 934782426 /nfs/dbraw/zinc/78/24/26/934782426.db2.gz UNNHRMSBSPPBEM-KRWDZBQOSA-N 1 0 383.508 3.709 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(Br)ccc(OCC)c2F)CC1 ZINC000932144425 934833839 /nfs/dbraw/zinc/83/38/39/934833839.db2.gz REGPPSFWGLBXGJ-UHFFFAOYSA-N 1 0 399.304 3.757 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2sccc2C#N)C1 ZINC000562435272 934862744 /nfs/dbraw/zinc/86/27/44/934862744.db2.gz ZQHATBQFOCRTQW-UHFFFAOYSA-N 1 0 378.501 3.980 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001122466744 934876984 /nfs/dbraw/zinc/87/69/84/934876984.db2.gz SUJUXKMGAPZGHF-BJLQDIEVSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c(C[C@@H](C)SC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122504847 934884938 /nfs/dbraw/zinc/88/49/38/934884938.db2.gz UTLICXRQQIHVID-GOSISDBHSA-N 1 0 391.629 3.993 20 30 GHEDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000828342786 935615938 /nfs/dbraw/zinc/61/59/38/935615938.db2.gz PIWRXWIPDVMWLD-DYESRHJHSA-N 1 0 377.488 3.692 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@H]1c1ccccc1 ZINC001137639573 935655502 /nfs/dbraw/zinc/65/55/02/935655502.db2.gz CAFKSKKJUCMFGJ-ROUUACIJSA-N 1 0 399.288 3.709 20 30 GHEDRO C=CCC[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001137690178 935718578 /nfs/dbraw/zinc/71/85/78/935718578.db2.gz OKAMYBLKKYPEFB-QHCPKHFHSA-N 1 0 377.532 3.871 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OC)cc3C#N)C2)CC1 ZINC001137698195 935729760 /nfs/dbraw/zinc/72/97/60/935729760.db2.gz NMIZBDRHXVZKGR-UHFFFAOYSA-N 1 0 383.492 3.567 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001137765641 935778431 /nfs/dbraw/zinc/77/84/31/935778431.db2.gz GDHGNJOWLYPKIO-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C)cc3Br)C2)C1=O ZINC001137804902 935799109 /nfs/dbraw/zinc/79/91/09/935799109.db2.gz ZKWABCVVNOJKTJ-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000829789194 935862212 /nfs/dbraw/zinc/86/22/12/935862212.db2.gz PQRFQCIRHCNPHV-GOSISDBHSA-N 1 0 375.472 3.613 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000829812573 935866549 /nfs/dbraw/zinc/86/65/49/935866549.db2.gz YVQTZOALVJGINH-PZJWPPBQSA-N 1 0 376.504 3.905 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830183946 935910310 /nfs/dbraw/zinc/91/03/10/935910310.db2.gz ZZFCZLWQFUWJHP-OKZBNKHCSA-N 1 0 379.545 3.805 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1-c1nn[nH]n1 ZINC001573330031 947430282 /nfs/dbraw/zinc/43/02/82/947430282.db2.gz SISALCMNHUNXFE-MLGOLLRUSA-N 1 0 376.302 3.854 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000544895640 1015171060 /nfs/dbraw/zinc/17/10/60/1015171060.db2.gz JYBKILZEPPBVHR-GOSISDBHSA-N 1 0 396.535 3.919 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000545148677 1015585696 /nfs/dbraw/zinc/58/56/96/1015585696.db2.gz RXEUXTSDKYESMK-UHFFFAOYSA-N 1 0 395.341 3.764 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(C#N)cc2OC)CC1)CC1CC1 ZINC000545296793 1015751365 /nfs/dbraw/zinc/75/13/65/1015751365.db2.gz XKUNFAZLDVHTIG-UHFFFAOYSA-N 1 0 384.524 3.933 20 30 GHEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000469034685 1016358325 /nfs/dbraw/zinc/35/83/25/1016358325.db2.gz RBYNQUCSTVNNNL-PGRDOPGGSA-N 1 0 378.520 3.631 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H](C[NH3+])C2)cc1OCC ZINC000470014386 1016700390 /nfs/dbraw/zinc/70/03/90/1016700390.db2.gz YVMPISOZZZDIJB-AWEZNQCLSA-N 1 0 383.330 3.583 20 30 GHEDRO O=C(/C=C/C(=O)c1ccccc1)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221202294 1032328554 /nfs/dbraw/zinc/32/85/54/1032328554.db2.gz XBODLMGGTOUEAW-ZJVMWOEPSA-N 1 0 380.463 3.812 20 30 GHEDRO CC(C)C[C@@](C)(C#N)NC(=O)C[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC001221292121 1032363104 /nfs/dbraw/zinc/36/31/04/1032363104.db2.gz FUOPVERVQCIOGY-URXFXBBRSA-N 1 0 393.531 3.970 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)nc3OC)CC2)C1=O ZINC001277199120 1032373609 /nfs/dbraw/zinc/37/36/09/1032373609.db2.gz MHRFSPOEOPBRFR-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO C[C@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)c1ccc(C#N)cc1 ZINC001221502913 1032439175 /nfs/dbraw/zinc/43/91/75/1032439175.db2.gz WDVZHXSKAOJOEE-SFHVURJKSA-N 1 0 376.504 3.973 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001155305790 1032494736 /nfs/dbraw/zinc/49/47/36/1032494736.db2.gz FGBIEVPYRCJROF-HNNXBMFYSA-N 1 0 377.835 3.815 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([NH3+])Cc3ccccc32)cc1 ZINC001155307325 1032495109 /nfs/dbraw/zinc/49/51/09/1032495109.db2.gz SQDOLROCWQKTAF-OAHLLOKOSA-N 1 0 377.835 3.815 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CCN(Cc1c(F)ccc(F)c1Br)CC2 ZINC001276446373 1032635982 /nfs/dbraw/zinc/63/59/82/1032635982.db2.gz WGZFGARQZDCAEM-CYBMUJFWSA-N 1 0 399.279 3.632 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCCn2nccc21 ZINC000926818663 1017315332 /nfs/dbraw/zinc/31/53/32/1017315332.db2.gz ZIPAVODOUDSTKF-IRXDYDNUSA-N 1 0 387.528 3.627 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(C)c1OC)C2 ZINC001204260519 1032702655 /nfs/dbraw/zinc/70/26/55/1032702655.db2.gz UISQFMWSDYNOIS-UNMCSNQZSA-N 1 0 375.509 3.586 20 30 GHEDRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000560260311 1017580043 /nfs/dbraw/zinc/58/00/43/1017580043.db2.gz QJPKRJPTUUERLB-LBPRGKRZSA-N 1 0 387.256 3.828 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1C#N ZINC000560667135 1017686952 /nfs/dbraw/zinc/68/69/52/1017686952.db2.gz WXQDXWAPRJPSSD-GOSISDBHSA-N 1 0 383.517 3.757 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)CCC(C)(C)C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000562004840 1018003741 /nfs/dbraw/zinc/00/37/41/1018003741.db2.gz FSKTYKXZODRLIR-KRWDZBQOSA-N 1 0 379.570 3.755 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)cc1 ZINC001204300402 1032741565 /nfs/dbraw/zinc/74/15/65/1032741565.db2.gz MXVMMCPAASOUAQ-UHFFFAOYSA-N 1 0 380.536 3.616 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1 ZINC001204300742 1032743733 /nfs/dbraw/zinc/74/37/33/1032743733.db2.gz JOJHTRSLTALFMY-BJKOFHAPSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC001204302640 1032745400 /nfs/dbraw/zinc/74/54/00/1032745400.db2.gz PJAZUAAXOYNIRN-UHFFFAOYSA-N 1 0 390.487 3.909 20 30 GHEDRO N#Cc1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)ccc1OC(F)(F)F ZINC000562461295 1018174852 /nfs/dbraw/zinc/17/48/52/1018174852.db2.gz IRJQRXMJKXYASM-UHFFFAOYSA-N 1 0 382.386 3.595 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204320994 1032764514 /nfs/dbraw/zinc/76/45/14/1032764514.db2.gz BWUAYNZMYVXTPM-QHCPKHFHSA-N 1 0 383.536 3.897 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](CCCC(C)(C)C#N)CC2 ZINC000932676599 1018577538 /nfs/dbraw/zinc/57/75/38/1018577538.db2.gz JEQXZRBTVRCOQP-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000562751049 1018602211 /nfs/dbraw/zinc/60/22/11/1018602211.db2.gz HSWMSOPIUICMTK-HXUWFJFHSA-N 1 0 378.476 3.708 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(-n2c(C)c(C)c3cc(C[NH3+])ccc32)n1 ZINC001155903287 1032776044 /nfs/dbraw/zinc/77/60/44/1032776044.db2.gz PCTOCBSOLJILOE-DNTJNYDQSA-N 1 0 375.885 3.679 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000562778976 1018631104 /nfs/dbraw/zinc/63/11/04/1018631104.db2.gz BOMCNCFHBJMGDF-OBFZPWGMSA-N 1 0 391.450 3.885 20 30 GHEDRO OCc1ccc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 ZINC000932947932 1018779477 /nfs/dbraw/zinc/77/94/77/1018779477.db2.gz IHLUMRHFTATWIN-VXGBXAGGSA-N 1 0 389.286 3.782 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(CC#N)c1 ZINC000042218090 1019324392 /nfs/dbraw/zinc/32/43/92/1019324392.db2.gz QGIQZHVZULQFRQ-UHFFFAOYSA-N 1 0 375.476 3.696 20 30 GHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570344421 1019589824 /nfs/dbraw/zinc/58/98/24/1019589824.db2.gz WCEWRKKAJLOWNG-HNNXBMFYSA-N 1 0 388.874 3.590 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1F ZINC001204414901 1032842212 /nfs/dbraw/zinc/84/22/12/1032842212.db2.gz JZQGGVMPRXREJG-CHWSQXEVSA-N 1 0 375.284 3.813 20 30 GHEDRO CC[NH+]1C[C@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000571694059 1019700409 /nfs/dbraw/zinc/70/04/09/1019700409.db2.gz LROANCYJSPJLHT-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COc2ccccc2C#N)cc1 ZINC000046615509 1019903284 /nfs/dbraw/zinc/90/32/84/1019903284.db2.gz QTFGYRCZKIGUHH-SFHVURJKSA-N 1 0 377.488 3.628 20 30 GHEDRO C=CCC1(CNC(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)CCCC1 ZINC001228270062 1032873218 /nfs/dbraw/zinc/87/32/18/1032873218.db2.gz LAGAKBVWQCOVLD-OAQYLSRUSA-N 1 0 385.552 3.632 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(OC3CCCCC3)cc2)cc1 ZINC000577216509 1020148435 /nfs/dbraw/zinc/14/84/35/1020148435.db2.gz NOGTWLHDDCSADR-UHFFFAOYSA-N 1 0 398.528 3.833 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)CCOCC1 ZINC000600721118 1020225256 /nfs/dbraw/zinc/22/52/56/1020225256.db2.gz SSZXZPPROJWYTL-IBGZPJMESA-N 1 0 376.928 3.813 20 30 GHEDRO Cc1ccc(Oc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600720810 1020225563 /nfs/dbraw/zinc/22/55/63/1020225563.db2.gz HVOGNLMAHADRTL-HXUWFJFHSA-N 1 0 380.488 3.948 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779057508 1020342600 /nfs/dbraw/zinc/34/26/00/1020342600.db2.gz JQBLJANAYJIAPC-IEBWSBKVSA-N 1 0 395.478 3.870 20 30 GHEDRO C[C@@H](OC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000779122624 1020388704 /nfs/dbraw/zinc/38/87/04/1020388704.db2.gz LTVFTHHNQHPZJU-CYBMUJFWSA-N 1 0 391.899 3.735 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193795201 1020951681 /nfs/dbraw/zinc/95/16/81/1020951681.db2.gz IIQIZSJFKOUQRC-NZQKXSOJSA-N 1 0 391.515 3.600 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000245753571 1021024815 /nfs/dbraw/zinc/02/48/15/1021024815.db2.gz OGELONSSADUSPE-NRFANRHFSA-N 1 0 396.922 3.927 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001228478136 1032951371 /nfs/dbraw/zinc/95/13/71/1032951371.db2.gz HJAQYVCEFJHPRW-QFIPXVFZSA-N 1 0 376.504 3.610 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000834484003 1021217141 /nfs/dbraw/zinc/21/71/41/1021217141.db2.gz CEVDMAMDTYSERG-BVGQSLNGSA-N 1 0 389.883 3.540 20 30 GHEDRO CC(C)([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)C(=O)N1CCCC1 ZINC000796578668 1021249755 /nfs/dbraw/zinc/24/97/55/1021249755.db2.gz WXQFJKONLVQQIR-UHFFFAOYSA-N 1 0 375.516 3.877 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140288094 1021321814 /nfs/dbraw/zinc/32/18/14/1021321814.db2.gz MOPKVCNCTDACNL-QHCPKHFHSA-N 1 0 391.515 3.563 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3ccc(Br)c(C#N)c3)c2)CC1 ZINC001204564604 1032974117 /nfs/dbraw/zinc/97/41/17/1032974117.db2.gz MUKCOSSLCXANCO-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC001140342360 1021454933 /nfs/dbraw/zinc/45/49/33/1021454933.db2.gz GDITVEIWKWWXJG-UHFFFAOYSA-N 1 0 384.867 3.703 20 30 GHEDRO N#Cc1cc(C#N)c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1Cl ZINC001156319649 1032983717 /nfs/dbraw/zinc/98/37/17/1032983717.db2.gz ZQGIFAXIUIMUCJ-AYOQOUSVSA-N 1 0 377.879 3.801 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC[C@@]1(C)O ZINC001140437076 1021704107 /nfs/dbraw/zinc/70/41/07/1021704107.db2.gz BHNYYMDQKKWMOL-OYHNWAKOSA-N 1 0 383.492 3.889 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC[C@]1(C)O ZINC001140437077 1021704488 /nfs/dbraw/zinc/70/44/88/1021704488.db2.gz BHNYYMDQKKWMOL-QRQCRPRQSA-N 1 0 383.492 3.889 20 30 GHEDRO CCOC(=O)CC[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140439805 1021711312 /nfs/dbraw/zinc/71/13/12/1021711312.db2.gz PLLOSAVKPQGZDZ-UHFFFAOYSA-N 1 0 385.464 3.681 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[NH+](CC3CC3)CC2)c2cc(C#N)ccc21 ZINC001140440064 1021712824 /nfs/dbraw/zinc/71/28/24/1021712824.db2.gz WEBGPEIGYKIISH-UHFFFAOYSA-N 1 0 394.519 3.824 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001140521462 1021913186 /nfs/dbraw/zinc/91/31/86/1021913186.db2.gz QMIFXAVMZMDONS-LJQANCHMSA-N 1 0 383.536 3.589 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccnn3-c3ccccc3)C2)CC1 ZINC001140524800 1021919444 /nfs/dbraw/zinc/91/94/44/1021919444.db2.gz VYWFFGCRHDKTLE-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cccc5ccncc54)C3)CC2=O)c1 ZINC001140645065 1022144795 /nfs/dbraw/zinc/14/47/95/1022144795.db2.gz IYJXEYNBZODREG-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)c(Br)cc3C)C2)C1=O ZINC001140791402 1022537950 /nfs/dbraw/zinc/53/79/50/1022537950.db2.gz JWNCWGNTMUGBIQ-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1c(C)nn(C)c1C ZINC000754438681 1022707195 /nfs/dbraw/zinc/70/71/95/1022707195.db2.gz UMUNSKNEQPWBOK-PXNSSMCTSA-N 1 0 381.524 3.721 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccc(Br)cc1 ZINC000836232000 1022751493 /nfs/dbraw/zinc/75/14/93/1022751493.db2.gz LBVPOIPKLNHBIK-SFHVURJKSA-N 1 0 392.341 3.543 20 30 GHEDRO COc1ccc(-c2cc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)on2)cc1 ZINC001203074726 1022788578 /nfs/dbraw/zinc/78/85/78/1022788578.db2.gz MZRKLCLLHNSJOG-UHFFFAOYSA-N 1 0 399.454 3.912 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2ccc(C(F)(F)F)nn2)c1C ZINC000754711562 1022850952 /nfs/dbraw/zinc/85/09/52/1022850952.db2.gz ZTPSNKXMSKHBRV-INIZCTEOSA-N 1 0 394.445 3.844 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000754722900 1022859299 /nfs/dbraw/zinc/85/92/99/1022859299.db2.gz MGXYIWBWOKIQRL-INIZCTEOSA-N 1 0 390.524 3.866 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000754868894 1022941421 /nfs/dbraw/zinc/94/14/21/1022941421.db2.gz MEVNDMFWYVMOAZ-INIZCTEOSA-N 1 0 392.565 3.847 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075359 1023435291 /nfs/dbraw/zinc/43/52/91/1023435291.db2.gz NVBIUOCXMOBTCB-ZCYQVOJMSA-N 1 0 396.575 3.959 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccc(C)c1Br)CC2 ZINC001141089346 1023464398 /nfs/dbraw/zinc/46/43/98/1023464398.db2.gz SCUXVWFEMZPPIP-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000756002050 1023473607 /nfs/dbraw/zinc/47/36/07/1023473607.db2.gz ZNLVUFJXADUZIY-QFBILLFUSA-N 1 0 386.430 3.852 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)ccc1OC ZINC000756029367 1023484663 /nfs/dbraw/zinc/48/46/63/1023484663.db2.gz ZUFKWLYOKJFJDV-YJBOKZPZSA-N 1 0 387.505 3.974 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114902 1023532864 /nfs/dbraw/zinc/53/28/64/1023532864.db2.gz XZLTVRCBYAYRFD-NSHDSACASA-N 1 0 384.933 3.735 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OC)cc3F)C2)CC1 ZINC001204899414 1033154871 /nfs/dbraw/zinc/15/48/71/1033154871.db2.gz AWUKGWJGVCFGDX-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C#CC[C@@H](NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000756858869 1023837795 /nfs/dbraw/zinc/83/77/95/1023837795.db2.gz VKUQUSIQMHSKEY-JOCHJYFZSA-N 1 0 377.557 3.880 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001156668910 1033172915 /nfs/dbraw/zinc/17/29/15/1033172915.db2.gz ZYKDVDVOICZLDM-HSZRJFAPSA-N 1 0 390.531 3.960 20 30 GHEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000837072669 1023990747 /nfs/dbraw/zinc/99/07/47/1023990747.db2.gz IOFGDJSQJUEOOP-WOJBJXKFSA-N 1 0 379.589 3.576 20 30 GHEDRO N#Cc1cc(F)ccc1CN1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001141164690 1023992475 /nfs/dbraw/zinc/99/24/75/1023992475.db2.gz FVTXPROBMCMPJZ-UHFFFAOYSA-N 1 0 379.479 3.564 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(-c3ncccn3)cc1)CC2 ZINC001141187127 1024051193 /nfs/dbraw/zinc/05/11/93/1024051193.db2.gz SWRXWHKVWMOSLN-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccc5ncccc5c4)C3)CC2=O)c1 ZINC001138109444 1024128146 /nfs/dbraw/zinc/12/81/46/1024128146.db2.gz MQRRPNPIZYDKSB-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1F ZINC001138118316 1024151954 /nfs/dbraw/zinc/15/19/54/1024151954.db2.gz IDNSOLGTVCSJQY-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000830958807 1024274581 /nfs/dbraw/zinc/27/45/81/1024274581.db2.gz XOXOIFGYDPKSRN-VXSCBNMQSA-N 1 0 383.536 3.646 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)cc1OC ZINC001138345947 1024707099 /nfs/dbraw/zinc/70/70/99/1024707099.db2.gz VWVPLMOXSYUSHT-IOMROCGXSA-N 1 0 398.528 3.824 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1OC ZINC001138349082 1024712157 /nfs/dbraw/zinc/71/21/57/1024712157.db2.gz RNMVTQRCFCWWBY-UHFFFAOYSA-N 1 0 376.456 3.622 20 30 GHEDRO C=C(C)[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC001138369511 1024732587 /nfs/dbraw/zinc/73/25/87/1024732587.db2.gz SJTXDTSOYRKWFZ-HSZRJFAPSA-N 1 0 399.485 3.911 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(F)cccc1OC)CC2 ZINC001138381752 1024751140 /nfs/dbraw/zinc/75/11/40/1024751140.db2.gz NQQHZWDAUHVLNO-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(OC)c(OC)cc3C)C2)C1 ZINC001138436114 1024844325 /nfs/dbraw/zinc/84/43/25/1024844325.db2.gz YMTZKNVBJIJCCI-JOCHJYFZSA-N 1 0 388.508 3.623 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000831873672 1024961253 /nfs/dbraw/zinc/96/12/53/1024961253.db2.gz ZMKYCYQZIUKRMK-RUZDIDTESA-N 1 0 388.511 3.827 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)cc1 ZINC001138559853 1025021731 /nfs/dbraw/zinc/02/17/31/1025021731.db2.gz SZURSSCMJHZEBP-UHFFFAOYSA-N 1 0 394.540 3.888 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001138559262 1025022009 /nfs/dbraw/zinc/02/20/09/1025022009.db2.gz IGGHWUWTNFDSMS-UHFFFAOYSA-N 1 0 384.520 3.778 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccccc3N3CCCCC3)CC2)nc1 ZINC001138605628 1025093121 /nfs/dbraw/zinc/09/31/21/1025093121.db2.gz NIFBLTISZBVIEL-UHFFFAOYSA-N 1 0 375.520 3.656 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030780 1025152314 /nfs/dbraw/zinc/15/23/14/1025152314.db2.gz QMJLCLBURGZBLH-PXNSSMCTSA-N 1 0 399.535 3.873 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CCc2ccc(=O)n(CC3CC3)c2CC1 ZINC001138660717 1025179544 /nfs/dbraw/zinc/17/95/44/1025179544.db2.gz CESPGLASHLYQCK-UHFFFAOYSA-N 1 0 378.516 3.814 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000838684328 1025291514 /nfs/dbraw/zinc/29/15/14/1025291514.db2.gz XLEMJXDNVZXXCH-SFHVURJKSA-N 1 0 397.350 3.605 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2ccccc2N2CCC(O)CC2)CC1 ZINC001138764281 1025328975 /nfs/dbraw/zinc/32/89/75/1025328975.db2.gz WIXSOFYHEGWWJU-UHFFFAOYSA-N 1 0 393.506 3.844 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(=O)CC)cc1)[C@H]2CC ZINC001138960261 1025661940 /nfs/dbraw/zinc/66/19/40/1025661940.db2.gz LMYXPZZIYPZRQV-REWPJTCUSA-N 1 0 384.520 3.924 20 30 GHEDRO COc1ccc(-c2csc3ncnc(NC4(C#N)CC[NH+](C)CC4)c23)cc1 ZINC001162232011 1025682041 /nfs/dbraw/zinc/68/20/41/1025682041.db2.gz ZFOCYIXHFNHTSU-UHFFFAOYSA-N 1 0 379.489 3.767 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 ZINC001162461292 1025754731 /nfs/dbraw/zinc/75/47/31/1025754731.db2.gz OHLYEYDCIFEPBM-RBUKOAKNSA-N 1 0 391.519 3.690 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001139031772 1025800848 /nfs/dbraw/zinc/80/08/48/1025800848.db2.gz AOKBCJKMKSUPJT-QZNHQXDQSA-N 1 0 380.488 3.847 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001139032336 1025803440 /nfs/dbraw/zinc/80/34/40/1025803440.db2.gz KLJDDWXEGMKEJJ-NFBKMPQASA-N 1 0 380.488 3.849 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3OC)C2)C1=O ZINC001141607150 1025867409 /nfs/dbraw/zinc/86/74/09/1025867409.db2.gz FBJYWTJKRVDQHX-IBGZPJMESA-N 1 0 382.426 3.715 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)NC[C@@H]3CC[NH2+]C[C@@H]3F)cnc2Cl)cc1 ZINC001162807823 1025925037 /nfs/dbraw/zinc/92/50/37/1025925037.db2.gz JIHYWYJEAHDNBD-YOEHRIQHSA-N 1 0 394.828 3.860 20 30 GHEDRO Cc1nnc(NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)c(C#N)c1C ZINC001162948203 1025980869 /nfs/dbraw/zinc/98/08/69/1025980869.db2.gz BMQVHCNTZUVCMP-IRXDYDNUSA-N 1 0 393.535 3.586 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163090124 1026038552 /nfs/dbraw/zinc/03/85/52/1026038552.db2.gz QXUDTJCGELCLHG-JTQLQIEISA-N 1 0 395.265 3.733 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)c12 ZINC001163135301 1026062101 /nfs/dbraw/zinc/06/21/01/1026062101.db2.gz BQTCYNJHTDUXEC-UHFFFAOYSA-N 1 0 397.885 3.754 20 30 GHEDRO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000832954631 1026121380 /nfs/dbraw/zinc/12/13/80/1026121380.db2.gz SEXSOSDFHUAKMF-INIZCTEOSA-N 1 0 376.504 3.522 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001163288325 1026126839 /nfs/dbraw/zinc/12/68/39/1026126839.db2.gz CNWCURQRDSNUJZ-ZJAYBJNJSA-N 1 0 391.581 3.528 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1ccc2[nH]c(C#N)cc2n1)c1ccc(Cl)cc1 ZINC001163384620 1026169785 /nfs/dbraw/zinc/16/97/85/1026169785.db2.gz LJPZBKLASCXFPY-LJQANCHMSA-N 1 0 383.883 3.819 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1nc(Cl)nc2c(Cl)nccc12 ZINC001163473015 1026207338 /nfs/dbraw/zinc/20/73/38/1026207338.db2.gz IEJZRJLXYXRAGL-UHFFFAOYSA-N 1 0 375.263 3.821 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001139392219 1026260218 /nfs/dbraw/zinc/26/02/18/1026260218.db2.gz CVRZXMKHIMNLCJ-DHIUTWEWSA-N 1 0 379.504 3.717 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1Cl ZINC001163644828 1026265231 /nfs/dbraw/zinc/26/52/31/1026265231.db2.gz LGESINKYIWETQD-ZUZCIYMTSA-N 1 0 375.687 3.627 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c3ccccc3[nH]c1C(=O)OC)C2 ZINC001139397819 1026267028 /nfs/dbraw/zinc/26/70/28/1026267028.db2.gz GTCQVZFAZSSGFF-REWPJTCUSA-N 1 0 398.503 3.528 20 30 GHEDRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001139399654 1026269930 /nfs/dbraw/zinc/26/99/30/1026269930.db2.gz QBKZIWKYMBAMSW-SFHVURJKSA-N 1 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ZINC001164438831 1026513565 /nfs/dbraw/zinc/51/35/65/1026513565.db2.gz JPVNFERVVZMGLH-UHFFFAOYSA-N 1 0 398.301 3.889 20 30 GHEDRO N#CCc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1[N+](=O)[O-] ZINC001164493826 1026531859 /nfs/dbraw/zinc/53/18/59/1026531859.db2.gz YDOAGRQLMFMASK-HMXCVIKNSA-N 1 0 376.460 3.983 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)CC[C@H]21 ZINC001139704779 1026549485 /nfs/dbraw/zinc/54/94/85/1026549485.db2.gz XTFPEKKOQMBZBK-QFBILLFUSA-N 1 0 380.492 3.871 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@H]2C1 ZINC001139706088 1026551440 /nfs/dbraw/zinc/55/14/40/1026551440.db2.gz KUYNWTNYJCOTNE-WMZOPIPTSA-N 1 0 380.492 3.728 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1C#N ZINC001139725075 1026568706 /nfs/dbraw/zinc/56/87/06/1026568706.db2.gz BEOCSJJZEWQHJA-OAQYLSRUSA-N 1 0 382.458 3.999 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1C#N ZINC001139725453 1026568877 /nfs/dbraw/zinc/56/88/77/1026568877.db2.gz PZMJXXNPCLGCOY-XZOQPEGZSA-N 1 0 377.488 3.602 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C)c(Br)c3)C2)C1=O ZINC001139729064 1026572940 /nfs/dbraw/zinc/57/29/40/1026572940.db2.gz NWVATZIRUQLKFU-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO COc1cc(C(F)(F)N2CCC(C3CC[NH+](C)CC3)CC2)c(C#N)c(Cl)n1 ZINC001165065905 1026584817 /nfs/dbraw/zinc/58/48/17/1026584817.db2.gz QBOINUXCQSHURS-UHFFFAOYSA-N 1 0 398.885 3.718 20 30 GHEDRO C[NH+]1CCC(C2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)CC1 ZINC001165068026 1026585831 /nfs/dbraw/zinc/58/58/31/1026585831.db2.gz VHBHOQGISHTKAP-UHFFFAOYSA-N 1 0 379.464 3.573 20 30 GHEDRO Cc1ncc(C#N)c(N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001165139342 1026630970 /nfs/dbraw/zinc/63/09/70/1026630970.db2.gz IDWNBUNHNKAZLL-QHCPKHFHSA-N 1 0 383.499 3.938 20 30 GHEDRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876920 1026692841 /nfs/dbraw/zinc/69/28/41/1026692841.db2.gz QNKVLKGCJURHNG-OAQYLSRUSA-N 1 0 377.463 3.678 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1C#N ZINC001165351181 1026710021 /nfs/dbraw/zinc/71/00/21/1026710021.db2.gz AOFCHCKESOIKHL-VQTJNVASSA-N 1 0 399.523 3.813 20 30 GHEDRO N#Cc1cc(Cl)nc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001165477101 1026739034 /nfs/dbraw/zinc/73/90/34/1026739034.db2.gz DVFONVPNSBJGRX-YLJYHZDGSA-N 1 0 386.858 3.795 20 30 GHEDRO Cc1nc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(C#N)c(C)c1Cl ZINC001165672558 1026793014 /nfs/dbraw/zinc/79/30/14/1026793014.db2.gz UCDPQMPLBJEYQR-OAHLLOKOSA-N 1 0 376.932 3.740 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001140018351 1026801021 /nfs/dbraw/zinc/80/10/21/1026801021.db2.gz SENLQRZGAOYRQN-XZOQPEGZSA-N 1 0 379.504 3.717 20 30 GHEDRO Cc1cccc(N(c2ncc3c(c2C#N)CCCC3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165767264 1026827636 /nfs/dbraw/zinc/82/76/36/1026827636.db2.gz QODJXRBSZVUJAV-GBXCKJPGSA-N 1 0 388.515 3.800 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CCC(=O)N4Cc4ccncc4)C3)c2c1 ZINC001140112501 1026893012 /nfs/dbraw/zinc/89/30/12/1026893012.db2.gz NFXAWAMNOGSHIS-DEOSSOPVSA-N 1 0 399.498 3.592 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CC3)NC(=O)C[C@H]4c3ccccc3)c2c1 ZINC001140113455 1026894800 /nfs/dbraw/zinc/89/48/00/1026894800.db2.gz FZHXNJIVVWXWNP-NRFANRHFSA-N 1 0 384.483 3.678 20 30 GHEDRO CN1Cc2ccccc2CC2(CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)C1=O ZINC001140114593 1026896869 /nfs/dbraw/zinc/89/68/69/1026896869.db2.gz XXKPBFPBQLUFEM-UHFFFAOYSA-N 1 0 398.510 3.836 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(C[C@H](c5ccccc5)C(=O)N4)CC3)c2c1 ZINC001140114596 1026897494 /nfs/dbraw/zinc/89/74/94/1026897494.db2.gz XYOINKSSPDUZAZ-OAQYLSRUSA-N 1 0 384.483 3.678 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c(F)c1 ZINC001140138733 1026913056 /nfs/dbraw/zinc/91/30/56/1026913056.db2.gz PQURGKQDJRUZSV-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)cc1O ZINC001140200208 1026973564 /nfs/dbraw/zinc/97/35/64/1026973564.db2.gz SFVCADQKYVCHKX-QHCPKHFHSA-N 1 0 375.472 3.510 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000840091563 1027174693 /nfs/dbraw/zinc/17/46/93/1027174693.db2.gz MOZPWTKALDJAKP-HXUWFJFHSA-N 1 0 393.878 3.889 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccccc1Br)CC2 ZINC001203322036 1027274825 /nfs/dbraw/zinc/27/48/25/1027274825.db2.gz YUCAYBYBLUWYAQ-LJQANCHMSA-N 1 0 377.326 3.982 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1=S ZINC000840154613 1027287743 /nfs/dbraw/zinc/28/77/43/1027287743.db2.gz WTAZLXPUPPFPKD-SFHVURJKSA-N 1 0 389.544 3.778 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC001203446970 1027346017 /nfs/dbraw/zinc/34/60/17/1027346017.db2.gz KESINRZMIWVAEV-SFHVURJKSA-N 1 0 393.288 3.968 20 30 GHEDRO N#C[C@H]1CNCCN1Cc1ccc(OCCCCCCCCCCCO)cc1 ZINC001210120148 1027346116 /nfs/dbraw/zinc/34/61/16/1027346116.db2.gz ACZWDTYXBOZVEA-QFIPXVFZSA-N 1 0 387.568 3.866 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001141818407 1027354890 /nfs/dbraw/zinc/35/48/90/1027354890.db2.gz BAFROVLVZGSCOP-ZWKOTPCHSA-N 1 0 380.305 3.719 20 30 GHEDRO N#Cc1ncccc1Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001210147721 1027359805 /nfs/dbraw/zinc/35/98/05/1027359805.db2.gz ZFGHXLJPCULODQ-UHFFFAOYSA-N 1 0 389.503 3.787 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc(OC)c1O ZINC001461233271 1069454648 /nfs/dbraw/zinc/45/46/48/1069454648.db2.gz MHHDQJAIYBPNGO-FDDCHVKYSA-N 1 0 396.531 3.508 20 30 GHEDRO CCOc1ccccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001203540825 1027418342 /nfs/dbraw/zinc/41/83/42/1027418342.db2.gz HCFRYUHEXDTLCT-QHCPKHFHSA-N 1 0 375.472 3.586 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001210564277 1027559183 /nfs/dbraw/zinc/55/91/83/1027559183.db2.gz SMVCFPIVHJIWHX-IBGZPJMESA-N 1 0 399.560 3.505 20 30 GHEDRO N#Cc1cccc(CN2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001203762112 1027583326 /nfs/dbraw/zinc/58/33/26/1027583326.db2.gz LAKBJTUCQKVWPS-NRFANRHFSA-N 1 0 382.458 3.687 20 30 GHEDRO C[NH+]1CCC(n2cc(Nc3c(C#N)cnn3-c3ccc(Cl)cc3)cn2)CC1 ZINC001210753673 1027637965 /nfs/dbraw/zinc/63/79/65/1027637965.db2.gz HCFSYJOQBUUICQ-UHFFFAOYSA-N 1 0 381.871 3.604 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(O)cc(C(F)(F)F)c3)cc2C#N)CC1 ZINC001210825421 1027663847 /nfs/dbraw/zinc/66/38/47/1027663847.db2.gz IGNMJJXGROARHW-UHFFFAOYSA-N 1 0 376.382 3.778 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001210950309 1027716519 /nfs/dbraw/zinc/71/65/19/1027716519.db2.gz AWZLXACQJPFQIW-PKTZIBPZSA-N 1 0 398.595 3.758 20 30 GHEDRO CSc1nc(CN2CCC([N@H+](C)Cc3ccccc3F)CC2)ccc1C#N ZINC001141943649 1027721077 /nfs/dbraw/zinc/72/10/77/1027721077.db2.gz DOVQJYOXMQGHOV-UHFFFAOYSA-N 1 0 384.524 3.911 20 30 GHEDRO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141943590 1027721976 /nfs/dbraw/zinc/72/19/76/1027721976.db2.gz BAOQJWLKUSIUKY-PMACEKPBSA-N 1 0 395.528 3.986 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCC(O)(c2ccccc2)CC1)C(C)C ZINC001211221095 1027841790 /nfs/dbraw/zinc/84/17/90/1027841790.db2.gz ARDVVSFXSVARCG-XERBYJISSA-N 1 0 399.579 3.815 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C1CCCCC1 ZINC001211270224 1027877727 /nfs/dbraw/zinc/87/77/27/1027877727.db2.gz VYKBXHHPYUMOJR-MSOLQXFVSA-N 1 0 396.457 3.971 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(O)c(OCC)c1)CC2 ZINC001204127068 1027898786 /nfs/dbraw/zinc/89/87/86/1027898786.db2.gz DQOGBXLDFCDIPL-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO C=CCN1C(=O)N(c2ccc3c(c2)CC[C@@H]3[NH+](C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000840905196 1027939182 /nfs/dbraw/zinc/93/91/82/1027939182.db2.gz ZNNBHTIAYMYVLB-VXKWHMMOSA-N 1 0 389.499 3.801 20 30 GHEDRO CC[C@H](C)Sc1ccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(C(F)(F)F)c1 ZINC000841093430 1028121776 /nfs/dbraw/zinc/12/17/76/1028121776.db2.gz SRMMMJYPXHRMJI-PGUXBMHVSA-N 1 0 386.443 3.829 20 30 GHEDRO C=C(C)CS(=O)(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001213899147 1028440251 /nfs/dbraw/zinc/44/02/51/1028440251.db2.gz BMQZJPUXMQGDEV-FCHUYYIVSA-N 1 0 384.545 3.540 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001461441716 1069551539 /nfs/dbraw/zinc/55/15/39/1069551539.db2.gz AMADANRHZALHMF-UHFFFAOYSA-N 1 0 387.386 3.755 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC001461459164 1069558658 /nfs/dbraw/zinc/55/86/58/1069558658.db2.gz CVWFVDDOVDWEJH-SFHVURJKSA-N 1 0 385.305 3.830 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)CCCNC(=[NH2+])Nc2ccc(C)cc2)cc1 ZINC000304938276 1029085899 /nfs/dbraw/zinc/08/58/99/1029085899.db2.gz LFSMLCMSFUKQCN-QGZVFWFLSA-N 1 0 382.508 3.778 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(N)c(OC(F)(F)F)c3)cc2C#N)CC1 ZINC001216033419 1029503201 /nfs/dbraw/zinc/50/32/01/1029503201.db2.gz UBPMFAFDITUNIQ-UHFFFAOYSA-N 1 0 391.397 3.534 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3ncc(OC)cc3Cl)CC2)C1=O ZINC001276735221 1029533266 /nfs/dbraw/zinc/53/32/66/1029533266.db2.gz PMKJRGZQZFIAQL-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO C#Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1 ZINC001142846124 1029571950 /nfs/dbraw/zinc/57/19/50/1029571950.db2.gz VGIMFZRQVDBXRT-UHFFFAOYSA-N 1 0 385.305 3.634 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@]4(C3)c3ccccc3N(CC3CC3)C4=O)c[nH]c2c1 ZINC001142928656 1029709422 /nfs/dbraw/zinc/70/94/22/1029709422.db2.gz GIACQSIMFYLQKW-RUZDIDTESA-N 1 0 396.494 3.940 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)c[nH]c2c1 ZINC001142928757 1029709791 /nfs/dbraw/zinc/70/97/91/1029709791.db2.gz JRPIBZKKCLZNHQ-LJQANCHMSA-N 1 0 390.531 3.948 20 30 GHEDRO CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001142931622 1029712856 /nfs/dbraw/zinc/71/28/56/1029712856.db2.gz SMTFNUZHNZSQCS-JOCHJYFZSA-N 1 0 388.515 3.762 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1F ZINC001143171384 1029881930 /nfs/dbraw/zinc/88/19/30/1029881930.db2.gz XVJMXTYKBYNWNJ-QHCPKHFHSA-N 1 0 393.437 3.737 20 30 GHEDRO N#CCCC(=O)N1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001143196605 1029902695 /nfs/dbraw/zinc/90/26/95/1029902695.db2.gz CAIMSYOQJCMVBN-UHFFFAOYSA-N 1 0 391.515 3.631 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC001221967287 1029909539 /nfs/dbraw/zinc/90/95/39/1029909539.db2.gz AKRCAYQTNAGELU-INIZCTEOSA-N 1 0 382.533 3.600 20 30 GHEDRO C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461604570 1069635855 /nfs/dbraw/zinc/63/58/55/1069635855.db2.gz FPUYEXZWGLXPCF-AQNXPRMDSA-N 1 0 393.531 3.725 20 30 GHEDRO CSc1ccc(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC001222210836 1030006669 /nfs/dbraw/zinc/00/66/69/1030006669.db2.gz KAJURXMRTWJIKV-IRXDYDNUSA-N 1 0 388.581 3.837 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000843437002 1030009878 /nfs/dbraw/zinc/00/98/78/1030009878.db2.gz TUHNEYCGAUPYBW-GOSISDBHSA-N 1 0 395.507 3.618 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001149205742 1030090994 /nfs/dbraw/zinc/09/09/94/1030090994.db2.gz NEBYOEBBTUFMLO-SJORKVTESA-N 1 0 382.426 3.873 20 30 GHEDRO N#Cc1cccc(-c2cccc(-c3nc(-c4ccc5c(n4)CC[NH2+]C5)no3)c2)c1 ZINC001217039786 1030112149 /nfs/dbraw/zinc/11/21/49/1030112149.db2.gz VSMJYKRUDJRXOV-UHFFFAOYSA-N 1 0 379.423 3.983 20 30 GHEDRO N#Cc1cc(CN2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1Br ZINC001222608817 1030230726 /nfs/dbraw/zinc/23/07/26/1030230726.db2.gz FYLWUSRVYUQIRT-GOSISDBHSA-N 1 0 382.305 3.510 20 30 GHEDRO Fc1c(F)c(F)c(CN2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c(F)c1F ZINC001222642117 1030254341 /nfs/dbraw/zinc/25/43/41/1030254341.db2.gz FSMUWYTZSCRZIE-CQSZACIVSA-N 1 0 388.302 3.889 20 30 GHEDRO CCC(CC)[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)[NH+]1CCCC1 ZINC001223086566 1030431103 /nfs/dbraw/zinc/43/11/03/1030431103.db2.gz DDNDEOGCYHKZTM-QFIPXVFZSA-N 1 0 382.552 3.721 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1OC ZINC001461679138 1069674227 /nfs/dbraw/zinc/67/42/27/1069674227.db2.gz VPYOVQZWGCCRJC-UHFFFAOYSA-N 1 0 377.488 3.890 20 30 GHEDRO C#C[C@H](COc1cccc(C(F)(F)F)c1)OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217928092 1030673841 /nfs/dbraw/zinc/67/38/41/1030673841.db2.gz NGXARQCMOBTGQR-MJGOQNOKSA-N 1 0 397.437 3.651 20 30 GHEDRO C#C[C@H](COc1cccc(C(F)(F)F)c1)OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217929075 1030674190 /nfs/dbraw/zinc/67/41/90/1030674190.db2.gz RRQBNYALJILJGP-LJQANCHMSA-N 1 0 375.390 3.949 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3C[NH2+]CC[C@@H]3F)c2)cc1OC ZINC001217961151 1030690285 /nfs/dbraw/zinc/69/02/85/1030690285.db2.gz YXGNLKVTFDQUIA-LFXIQIKPSA-N 1 0 385.435 3.679 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2OC2CC[NH2+]CC2)cc1 ZINC001217963614 1030692109 /nfs/dbraw/zinc/69/21/09/1030692109.db2.gz IRXGBZKDPJZXPJ-RMKNXTFCSA-N 1 0 397.471 3.739 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2C[NH2+]CCC[C@H]2F)c(Br)c1 ZINC001217973247 1030697667 /nfs/dbraw/zinc/69/76/67/1030697667.db2.gz BCFCIEJZRIZZPX-NEPJUHHUSA-N 1 0 392.066 3.552 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217982657 1030704689 /nfs/dbraw/zinc/70/46/89/1030704689.db2.gz HVTUDOINQWJCTA-WOJBJXKFSA-N 1 0 393.462 3.583 20 30 GHEDRO N#Cc1ccc(-c2ccc(O[C@H]3CC[NH2+]C3)c(I)c2)cc1 ZINC001218179758 1030809290 /nfs/dbraw/zinc/80/92/90/1030809290.db2.gz KGZDVBMYPSUCEY-HNNXBMFYSA-N 1 0 390.224 3.571 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001151241541 1030821221 /nfs/dbraw/zinc/82/12/21/1030821221.db2.gz DOWATBVYICUOQL-LJQANCHMSA-N 1 0 391.298 3.795 20 30 GHEDRO CC(C)c1cc(Br)c(O[C@@H]2C[NH2+]C[C@@H]2C#N)c(Br)c1 ZINC001218203993 1030827744 /nfs/dbraw/zinc/82/77/44/1030827744.db2.gz UHGZOEQWKCDQME-GXFFZTMASA-N 1 0 388.103 3.825 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(C)c(O)c(C)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC001218206695 1030829131 /nfs/dbraw/zinc/82/91/31/1030829131.db2.gz FBCVZMLMLNCARM-RBUKOAKNSA-N 1 0 395.455 3.718 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC001218207315 1030829508 /nfs/dbraw/zinc/82/95/08/1030829508.db2.gz PDFNPTFNLOBMJB-NRFANRHFSA-N 1 0 387.501 3.604 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(Br)c(Br)cc1OC ZINC001218207333 1030829648 /nfs/dbraw/zinc/82/96/48/1030829648.db2.gz PNDGXOVXWOCAEA-CYBMUJFWSA-N 1 0 377.076 3.517 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CCC23C[NH2+]C3)c1 ZINC001218243926 1030849237 /nfs/dbraw/zinc/84/92/37/1030849237.db2.gz IQYLMCCLLRDIBH-FQEVSTJZSA-N 1 0 377.440 3.530 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001218246954 1030849934 /nfs/dbraw/zinc/84/99/34/1030849934.db2.gz BXMLHYPFMJJUCV-DKZVUGQWSA-N 1 0 399.512 3.604 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)c2C1=O ZINC001218250191 1030853678 /nfs/dbraw/zinc/85/36/78/1030853678.db2.gz LCAADIRWPQYPKA-USXIJHARSA-N 1 0 381.472 3.963 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(Br)ncc1Br ZINC001218455664 1030943592 /nfs/dbraw/zinc/94/35/92/1030943592.db2.gz NCXRBGWGHHKGFA-GHMZBOCLSA-N 1 0 376.092 3.682 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(c1)OC[C@H](Cc1ccc(O)cc1)C2=O ZINC001218457550 1030944441 /nfs/dbraw/zinc/94/44/41/1030944441.db2.gz SLRREUOCPYQEPB-MTNREXPMSA-N 1 0 393.483 3.902 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218463633 1030947460 /nfs/dbraw/zinc/94/74/60/1030947460.db2.gz IQPKRJNCOHMLHJ-KZNHUURGSA-N 1 0 379.456 3.674 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)c3ccccc23)ccc1F ZINC001218469363 1030950240 /nfs/dbraw/zinc/95/02/40/1030950240.db2.gz VHAUWBMGBBZMRW-VQPPSCEASA-N 1 0 388.446 3.608 20 30 GHEDRO N#Cc1cc(NC(=O)C[C@@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)ccc1O ZINC001218954104 1031174336 /nfs/dbraw/zinc/17/43/36/1031174336.db2.gz FIFMFHAYXYRUTH-CQSZACIVSA-N 1 0 379.435 3.540 20 30 GHEDRO Cc1ccc(OC(C)C)cc1NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1 ZINC001218968803 1031185799 /nfs/dbraw/zinc/18/57/99/1031185799.db2.gz OUTZKWJZURHVLU-VGSWGCGISA-N 1 0 377.488 3.813 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)Nc2ccc3c(C#N)c[nH]c3c2)cc1 ZINC001219045022 1031227052 /nfs/dbraw/zinc/22/70/52/1031227052.db2.gz VCHOOZXZRCJHRX-IBGZPJMESA-N 1 0 376.460 3.725 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H]([NH3+])CCOCc2ccccc2)c1 ZINC001219311355 1031351217 /nfs/dbraw/zinc/35/12/17/1031351217.db2.gz YBBFWYZBMSZTFL-NRFANRHFSA-N 1 0 380.564 3.788 20 30 GHEDRO CCOC(=O)c1oc2ncccc2c1O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001225380847 1031370646 /nfs/dbraw/zinc/37/06/46/1031370646.db2.gz QSLKVMJKVJQHPN-KRWDZBQOSA-N 1 0 391.427 3.529 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)CC1 ZINC001219366895 1031381253 /nfs/dbraw/zinc/38/12/53/1031381253.db2.gz OPZXOWVQDNKRSS-UHFFFAOYSA-N 1 0 393.491 3.907 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)N(Cc1ccccc1)CC2 ZINC001219518325 1031469525 /nfs/dbraw/zinc/46/95/25/1031469525.db2.gz GITNLFGACXHFNG-QHCPKHFHSA-N 1 0 396.494 3.629 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001219548307 1031491704 /nfs/dbraw/zinc/49/17/04/1031491704.db2.gz RRXFWDAGRJEGCT-FQEVSTJZSA-N 1 0 389.405 3.916 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(OC)c(C#N)cc2F)C1 ZINC001219580734 1031509701 /nfs/dbraw/zinc/50/97/01/1031509701.db2.gz IJPLYOMBSAJZQN-CQSZACIVSA-N 1 0 376.476 3.728 20 30 GHEDRO CCCN(C(=O)Nc1ccc(C#N)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219655801 1031543090 /nfs/dbraw/zinc/54/30/90/1031543090.db2.gz WIOOFCYIHHPGIK-FQEVSTJZSA-N 1 0 377.492 3.862 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001219695876 1031562626 /nfs/dbraw/zinc/56/26/26/1031562626.db2.gz YWBZWCCQQIBKDA-ACJLOTCBSA-N 1 0 387.846 3.560 20 30 GHEDRO COc1ccc2c(c1O[C@H](C)C(C)C)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC001225822955 1031632326 /nfs/dbraw/zinc/63/23/26/1031632326.db2.gz SWEBCRDOWGCWLV-XWFIKDQWSA-N 1 0 399.531 3.736 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCCc1cccc(Oc2ccccc2)c1 ZINC001219905956 1031684862 /nfs/dbraw/zinc/68/48/62/1031684862.db2.gz GQWSZKVSTPSGJU-QHCPKHFHSA-N 1 0 385.467 3.579 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(F)(F)F)c1 ZINC001219911310 1031689442 /nfs/dbraw/zinc/68/94/42/1031689442.db2.gz CWCMBFOQAXDZQU-AEFFLSMTSA-N 1 0 394.441 3.868 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCc1ccccc1N1CCCCCC1 ZINC001219977475 1031726834 /nfs/dbraw/zinc/72/68/34/1031726834.db2.gz ZAPMVYKMJDLVIP-QFIPXVFZSA-N 1 0 390.531 3.515 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NCCSCc1ccccc1Cl ZINC001220084554 1031778553 /nfs/dbraw/zinc/77/85/53/1031778553.db2.gz SFMPPNMVBWZHHB-MOPGFXCFSA-N 1 0 399.947 3.564 20 30 GHEDRO CC(C)(CCC#N)c1ccc(C(=O)NCc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001220654501 1032047137 /nfs/dbraw/zinc/04/71/37/1032047137.db2.gz VLTXNORYMVEWSW-UHFFFAOYSA-N 1 0 390.531 3.608 20 30 GHEDRO COC(=O)c1c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c2cc(F)ccc2n1C ZINC001205506633 1033445438 /nfs/dbraw/zinc/44/54/38/1033445438.db2.gz CMGYELDMIRVBER-UHFFFAOYSA-N 1 0 385.826 3.919 20 30 GHEDRO C#CC[C@@H](C)Oc1c(OC)cc2c3c1-c1c(O)c(OC)ccc1C[C@@H]3N(C)CC2 ZINC001229531884 1033542920 /nfs/dbraw/zinc/54/29/20/1033542920.db2.gz ZGVPKFSLYUXAFX-PBHICJAKSA-N 1 0 393.483 3.952 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1 ZINC001157434918 1033587685 /nfs/dbraw/zinc/58/76/85/1033587685.db2.gz OBKUGZRRUWMCIK-MRXNPFEDSA-N 1 0 376.838 3.910 20 30 GHEDRO Cc1nc(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)c(Cl)cc1C#N ZINC001157536165 1033647619 /nfs/dbraw/zinc/64/76/19/1033647619.db2.gz HYVNGLOEICRCPE-UHFFFAOYSA-N 1 0 396.804 3.614 20 30 GHEDRO Cc1nc(OC2CCC([NH+](C)C)CC2)c(C#N)cc1-c1ccc2nccn2c1 ZINC001229768170 1033699475 /nfs/dbraw/zinc/69/94/75/1033699475.db2.gz KMBKAJWWIBNWHZ-UHFFFAOYSA-N 1 0 375.476 3.828 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(OC)c(OC)cc2Br)no1 ZINC001206094843 1033716584 /nfs/dbraw/zinc/71/65/84/1033716584.db2.gz XOGXCHYNWYHWBT-UHFFFAOYSA-N 1 0 394.269 3.625 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(I)ccc2C)no1 ZINC001206100084 1033719158 /nfs/dbraw/zinc/71/91/58/1033719158.db2.gz IWWVRJXPRGSMEF-UHFFFAOYSA-N 1 0 395.244 3.759 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(F)c(I)c2)no1 ZINC001206100009 1033719322 /nfs/dbraw/zinc/71/93/22/1033719322.db2.gz IHEULMZQCGLIDJ-UHFFFAOYSA-N 1 0 399.207 3.589 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)CC(F)(F)F ZINC001206291820 1033785664 /nfs/dbraw/zinc/78/56/64/1033785664.db2.gz CDNREXFUWLNKBY-ZDUSSCGKSA-N 1 0 375.366 3.633 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(C)c(Cl)cc3Cl)C2)C1=O ZINC001277443084 1033879697 /nfs/dbraw/zinc/87/96/97/1033879697.db2.gz KDKACUMMMVYGCX-LJQANCHMSA-N 1 0 381.303 3.829 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001206778486 1033979894 /nfs/dbraw/zinc/97/98/94/1033979894.db2.gz WZLIUSVOBMGGBU-UHFFFAOYSA-N 1 0 399.310 3.663 20 30 GHEDRO C#CCC[N@@H+](CCOC)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001206780561 1033981435 /nfs/dbraw/zinc/98/14/35/1033981435.db2.gz QONARHTVEUFEHR-UHFFFAOYSA-N 1 0 379.342 3.911 20 30 GHEDRO Cc1cc(N(c2nc(C#N)c(Cl)cc2Cl)C2CC[NH2+]CC2)nc(C)n1 ZINC001158395722 1034059531 /nfs/dbraw/zinc/05/95/31/1034059531.db2.gz FHHVYDBZQHQONB-UHFFFAOYSA-N 1 0 377.279 3.557 20 30 GHEDRO CCCc1cc(C#N)c(N(c2cc(C)nc(C)n2)C2CC[NH2+]CC2)nc1Cl ZINC001158392347 1034059564 /nfs/dbraw/zinc/05/95/64/1034059564.db2.gz ZKXHQQKOHNDFFW-UHFFFAOYSA-N 1 0 384.915 3.856 20 30 GHEDRO C=CCN(CC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)C(=O)OC(C)(C)C ZINC001207201087 1034170736 /nfs/dbraw/zinc/17/07/36/1034170736.db2.gz KGARSDDCTNCARK-WOJBJXKFSA-N 1 0 399.535 3.679 20 30 GHEDRO C[C@H](c1ccccc1)N(c1nccc(N2CCC([NH3+])CC2)n1)C1=CC(=O)CCC1 ZINC001158796963 1034274235 /nfs/dbraw/zinc/27/42/35/1034274235.db2.gz MKLVBMUVOQCKSP-QGZVFWFLSA-N 1 0 391.519 3.609 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)cc1C#N ZINC001231042319 1034359175 /nfs/dbraw/zinc/35/91/75/1034359175.db2.gz JDQXBALNPMJWSB-JTSKRJEESA-N 1 0 378.472 3.563 20 30 GHEDRO N#C[C@H](c1ccc(N2CCC3(CC2)[NH2+]Cc2ccccc23)nn1)c1ccccc1F ZINC001159032017 1034390782 /nfs/dbraw/zinc/39/07/82/1034390782.db2.gz QLEIJXVXCFWTKR-IBGZPJMESA-N 1 0 399.473 3.870 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCc1ccccc1Br)C2 ZINC001207530974 1034433872 /nfs/dbraw/zinc/43/38/72/1034433872.db2.gz ICYVLPMJGYBRAN-HKUYNNGSSA-N 1 0 380.326 3.818 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NCCC2CC[NH+](C(C)C)CC2)cc1OC ZINC001461900240 1069858742 /nfs/dbraw/zinc/85/87/42/1069858742.db2.gz OUYKURLNZHKHLP-CLFYSBASSA-N 1 0 386.536 3.900 20 30 GHEDRO N#Cc1cc(NC2=CC[NH2+]C2)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1 ZINC001159198112 1034477958 /nfs/dbraw/zinc/47/79/58/1034477958.db2.gz PAHPGZIGDNLYFJ-UHFFFAOYSA-N 1 0 388.180 3.969 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c(C)cc(Cl)nc3Cl)CC2)C1=O ZINC001277505756 1034511660 /nfs/dbraw/zinc/51/16/60/1034511660.db2.gz BVLJBJAFIQQOQJ-IBGZPJMESA-N 1 0 380.319 3.535 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cccc(Br)c3C)CC2)C1=O ZINC001277510632 1034547426 /nfs/dbraw/zinc/54/74/26/1034547426.db2.gz PTNKYTBNDXTEMZ-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO N#Cc1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(C2C[NH2+]C2)c1 ZINC001159438193 1034595035 /nfs/dbraw/zinc/59/50/35/1034595035.db2.gz IQOLNNKZYMVYDS-UHFFFAOYSA-N 1 0 379.419 3.764 20 30 GHEDRO COC(=O)c1c(Br)cccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159469624 1034609377 /nfs/dbraw/zinc/60/93/77/1034609377.db2.gz JQGZJNWWRUDKDF-UHFFFAOYSA-N 1 0 386.249 3.538 20 30 GHEDRO Cc1ccc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)nc1C#N ZINC001159521423 1034636770 /nfs/dbraw/zinc/63/67/70/1034636770.db2.gz VXORNKFQJGIWIV-JOCHJYFZSA-N 1 0 386.499 3.737 20 30 GHEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001159596250 1034683492 /nfs/dbraw/zinc/68/34/92/1034683492.db2.gz VDLKJPNWSCGSQK-AWEZNQCLSA-N 1 0 388.475 3.810 20 30 GHEDRO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4ccccc4C#Cc4ccccc4)C[C@H]3O2)n1 ZINC001231576895 1034728760 /nfs/dbraw/zinc/72/87/60/1034728760.db2.gz JVHMQAKOYMXZQO-KMDXXIMOSA-N 1 0 399.494 3.610 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001231618151 1034776133 /nfs/dbraw/zinc/77/61/33/1034776133.db2.gz BLWMBLQXUWRPNL-NRFANRHFSA-N 1 0 398.457 3.700 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001231618152 1034776779 /nfs/dbraw/zinc/77/67/79/1034776779.db2.gz BLWMBLQXUWRPNL-OAQYLSRUSA-N 1 0 398.457 3.700 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)c1 ZINC001231622622 1034781417 /nfs/dbraw/zinc/78/14/17/1034781417.db2.gz BHDIKBVMSUORRI-OAQYLSRUSA-N 1 0 398.547 3.635 20 30 GHEDRO COC(=O)c1ccc(CC2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cc1 ZINC001231622483 1034781601 /nfs/dbraw/zinc/78/16/01/1034781601.db2.gz XSDAZOJCFBGXDR-UHFFFAOYSA-N 1 0 378.472 3.808 20 30 GHEDRO N#Cc1ccc(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)cc1F ZINC001159961732 1034803645 /nfs/dbraw/zinc/80/36/45/1034803645.db2.gz IQEQXTKNKKDRMH-UHFFFAOYSA-N 1 0 378.373 3.865 20 30 GHEDRO COc1cc(C#N)ccc1Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001159961687 1034803650 /nfs/dbraw/zinc/80/36/50/1034803650.db2.gz GIIREXKXVXVRMH-UHFFFAOYSA-N 1 0 390.409 3.734 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3c(C)sc4ccccc43)CC2)C1=O ZINC001231644283 1034803749 /nfs/dbraw/zinc/80/37/49/1034803749.db2.gz SIENXUHVQRHFOB-UHFFFAOYSA-N 1 0 383.561 3.504 20 30 GHEDRO CC1(C)CC(=O)C=C(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)C1 ZINC001159962000 1034805078 /nfs/dbraw/zinc/80/50/78/1034805078.db2.gz MHWSKKKDILJEBZ-UHFFFAOYSA-N 1 0 381.442 3.796 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)c1 ZINC001231657559 1034815062 /nfs/dbraw/zinc/81/50/62/1034815062.db2.gz RORGXQZUMOYPCN-UHFFFAOYSA-N 1 0 387.508 3.978 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)c1 ZINC001231663129 1034818555 /nfs/dbraw/zinc/81/85/55/1034818555.db2.gz JOUSBSWCGHMPGA-UHFFFAOYSA-N 1 0 397.316 3.825 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CC3(c4ccccc4)CCOCC3)CC2)c(F)c1 ZINC001208233425 1034821400 /nfs/dbraw/zinc/82/14/00/1034821400.db2.gz HKMZGUJIMXLBGH-UHFFFAOYSA-N 1 0 379.479 3.568 20 30 GHEDRO COc1ccc(NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC001208408445 1034886434 /nfs/dbraw/zinc/88/64/34/1034886434.db2.gz BRRMMHCFRHWQEU-UHFFFAOYSA-N 1 0 392.503 3.991 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231816024 1034925265 /nfs/dbraw/zinc/92/52/65/1034925265.db2.gz HTDIQZOMAPEQJB-MSOLQXFVSA-N 1 0 386.540 3.866 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001231815809 1034925657 /nfs/dbraw/zinc/92/56/57/1034925657.db2.gz BMIBXNJJMSLRPP-TZIWHRDSSA-N 1 0 398.551 3.868 20 30 GHEDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]2CCCC[C@@H]12 ZINC001231816326 1034926120 /nfs/dbraw/zinc/92/61/20/1034926120.db2.gz LOFBADLFZYITAS-FCEUIQTBSA-N 1 0 383.536 3.838 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231821706 1034929392 /nfs/dbraw/zinc/92/93/92/1034929392.db2.gz JQNISWVGWGRAGI-PXNSSMCTSA-N 1 0 386.540 3.914 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001231821019 1034929469 /nfs/dbraw/zinc/92/94/69/1034929469.db2.gz NFZSXLBZPFHYIA-UHFFFAOYSA-N 1 0 384.524 3.620 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231844565 1034938414 /nfs/dbraw/zinc/93/84/14/1034938414.db2.gz MKOIZMOZTJQBEC-UHFFFAOYSA-N 1 0 381.520 3.876 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC001208586593 1034943699 /nfs/dbraw/zinc/94/36/99/1034943699.db2.gz WQGKLZFXABPXJU-LADGPHEKSA-N 1 0 381.564 3.542 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1-n1nc(-c2ccncc2)cc1C[NH3+] ZINC001160344229 1034945789 /nfs/dbraw/zinc/94/57/89/1034945789.db2.gz LSPPQUKNJLKGSU-UHFFFAOYSA-N 1 0 396.788 3.744 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(OC4CCCCC4)nc3)C2)C1=O ZINC001231870984 1034957488 /nfs/dbraw/zinc/95/74/88/1034957488.db2.gz AYRMTLYAVNESAZ-HSZRJFAPSA-N 1 0 383.536 3.794 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](C)c1cccc2ccccc21 ZINC001208708600 1034987628 /nfs/dbraw/zinc/98/76/28/1034987628.db2.gz YONJKJQPJQJXKF-VGOFRKELSA-N 1 0 376.504 3.874 20 30 GHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC([NH3+])CC1 ZINC001160517249 1034992396 /nfs/dbraw/zinc/99/23/96/1034992396.db2.gz MSFQUOGPFJKSSZ-UHFFFAOYSA-N 1 0 398.532 3.588 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCCc4ccc(F)cc4)C3)CC2=O)c1 ZINC001208772862 1035012299 /nfs/dbraw/zinc/01/22/99/1035012299.db2.gz IHZRKTVHJCWPJZ-QHCPKHFHSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCCc3ccc(F)cc3)CC2)cc1 ZINC001208775799 1035014956 /nfs/dbraw/zinc/01/49/56/1035014956.db2.gz WNFPMJJTKKNPKV-UHFFFAOYSA-N 1 0 380.467 3.916 20 30 GHEDRO N#Cc1cc2nc(N[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3[NH3+])ccc2[nH]1 ZINC001160636365 1035022143 /nfs/dbraw/zinc/02/21/43/1035022143.db2.gz VRPDKNZLPLDJBW-MXXWWZHRSA-N 1 0 377.451 3.833 20 30 GHEDRO COc1ccccc1CCC[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001208836936 1035050266 /nfs/dbraw/zinc/05/02/66/1035050266.db2.gz KQNHEJIYFKWSCW-DEOSSOPVSA-N 1 0 389.499 3.628 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1C#N ZINC001160738913 1035050478 /nfs/dbraw/zinc/05/04/78/1035050478.db2.gz KZZOKPFJYIYJIF-UONOGXRCSA-N 1 0 393.438 3.689 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1F ZINC001160742826 1035052571 /nfs/dbraw/zinc/05/25/71/1035052571.db2.gz WGJVWIBIVXELQL-FZMZJTMJSA-N 1 0 399.779 3.760 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](CCCc3cccc(C#N)c3)CC2)C1 ZINC001208846195 1035054777 /nfs/dbraw/zinc/05/47/77/1035054777.db2.gz XUCGQCBTMFVMRZ-UHFFFAOYSA-N 1 0 381.520 3.991 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)c1 ZINC001208850055 1035057167 /nfs/dbraw/zinc/05/71/67/1035057167.db2.gz VLCZDMJBYPCEBK-UHFFFAOYSA-N 1 0 388.515 3.514 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2cnn(CC3CC3)c21 ZINC001208849787 1035057427 /nfs/dbraw/zinc/05/74/27/1035057427.db2.gz MTBSPHIGRTUFGX-QFIPXVFZSA-N 1 0 378.520 3.733 20 30 GHEDRO CCn1ncc2c1C[N@H+](CCCc1cccc(C#N)c1)C[C@H]2COCC1CC1 ZINC001208851989 1035058599 /nfs/dbraw/zinc/05/85/99/1035058599.db2.gz QJHCXHUFXITDHV-NRFANRHFSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC001208852107 1035058731 /nfs/dbraw/zinc/05/87/31/1035058731.db2.gz UMCZDCKWHISJSC-LADGPHEKSA-N 1 0 391.515 3.836 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC001208852974 1035059326 /nfs/dbraw/zinc/05/93/26/1035059326.db2.gz YLFOAEHLOPVOGV-RBZQAINGSA-N 1 0 391.515 3.582 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c1 ZINC001208852752 1035059609 /nfs/dbraw/zinc/05/96/09/1035059609.db2.gz SEPFGYZUBHQGNF-UHFFFAOYSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1 ZINC001208852622 1035059620 /nfs/dbraw/zinc/05/96/20/1035059620.db2.gz NXOUQNLIKFZETL-HSZRJFAPSA-N 1 0 395.453 3.898 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC001208861933 1035064721 /nfs/dbraw/zinc/06/47/21/1035064721.db2.gz RVEMGLQXSVTBTN-VWLOTQADSA-N 1 0 385.511 3.891 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCCc1ccc(C(=O)OCC)cc1)C2 ZINC001208870349 1035068862 /nfs/dbraw/zinc/06/88/62/1035068862.db2.gz JFAHFQFXSNYHAW-FYYLOGMGSA-N 1 0 387.520 3.622 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)cc1 ZINC001208921904 1035089882 /nfs/dbraw/zinc/08/98/82/1035089882.db2.gz ABRKHXKABQYVRP-VWLOTQADSA-N 1 0 387.527 3.658 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc1 ZINC001208925496 1035092134 /nfs/dbraw/zinc/09/21/34/1035092134.db2.gz DRYTVETUIZUTLR-UHFFFAOYSA-N 1 0 385.305 3.847 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)cc1Cl ZINC001232114354 1035103419 /nfs/dbraw/zinc/10/34/19/1035103419.db2.gz HNLJABKSRRUVOR-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO N#Cc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1Cl ZINC001232114705 1035103824 /nfs/dbraw/zinc/10/38/24/1035103824.db2.gz RWVAMNUIRGPCMY-ICSRJNTNSA-N 1 0 385.870 3.688 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)C1=O ZINC001276603460 1035127187 /nfs/dbraw/zinc/12/71/87/1035127187.db2.gz ILHFVOMRXQNXPD-QGZVFWFLSA-N 1 0 383.717 3.713 20 30 GHEDRO N#Cc1nccnc1N1CC[NH+](Cc2ccccc2-c2ccc(Cl)cc2)CC1 ZINC001232195110 1035156131 /nfs/dbraw/zinc/15/61/31/1035156131.db2.gz OYHSXJVTNZPZCU-UHFFFAOYSA-N 1 0 389.890 3.991 20 30 GHEDRO [NH3+][C@@H](CSc1ccccc1)CC(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161152674 1035161077 /nfs/dbraw/zinc/16/10/77/1035161077.db2.gz QOXZXFJMCOEDBF-OAQYLSRUSA-N 1 0 378.541 3.786 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](c4ccccc4)[NH2+]C3)C2)cc1 ZINC001161325131 1035208829 /nfs/dbraw/zinc/20/88/29/1035208829.db2.gz WZSVSBBYFLVKJF-YMPZKCBVSA-N 1 0 389.499 3.669 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001209424865 1035271975 /nfs/dbraw/zinc/27/19/75/1035271975.db2.gz XJDVJRPABMVLSV-QFIPXVFZSA-N 1 0 375.557 3.952 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccccn3)[C@@H]2C1 ZINC001209436902 1035273913 /nfs/dbraw/zinc/27/39/13/1035273913.db2.gz CTCCDQBGUCDWMM-XPWALMASSA-N 1 0 399.579 3.604 20 30 GHEDRO C=CCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCC2CCOCC2)C1 ZINC001209437514 1035274032 /nfs/dbraw/zinc/27/40/32/1035274032.db2.gz MQNCNVJNPKWVEF-HXUWFJFHSA-N 1 0 375.557 3.899 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CCC[C@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001209442736 1035275146 /nfs/dbraw/zinc/27/51/46/1035275146.db2.gz DHFJJAWYETXJMS-FYYLOGMGSA-N 1 0 392.584 3.633 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccccc1CC#N)[NH2+][C@H](C)c1ccccc1 ZINC001209558243 1035312589 /nfs/dbraw/zinc/31/25/89/1035312589.db2.gz UILUSSLYCILIEE-WIYYLYMNSA-N 1 0 399.560 3.796 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209592143 1035321227 /nfs/dbraw/zinc/32/12/27/1035321227.db2.gz GIRPNOWCSCEUHF-FQEVSTJZSA-N 1 0 388.899 3.827 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccccc3N3CCCCC3)no2)cc1 ZINC001248157763 1035584647 /nfs/dbraw/zinc/58/46/47/1035584647.db2.gz XLTQPRUCNGKDSD-LJQANCHMSA-N 1 0 387.487 3.711 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(C#N)c4ccccc34)no2)cc1 ZINC001248158685 1035585979 /nfs/dbraw/zinc/58/59/79/1035585979.db2.gz ZYQCJFGCFDAGOS-GOSISDBHSA-N 1 0 379.423 3.746 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc3nccc(Cl)c3c2)no1 ZINC001248179079 1035606562 /nfs/dbraw/zinc/60/65/62/1035606562.db2.gz DOQZZGXLEOQHTD-INIZCTEOSA-N 1 0 389.846 3.922 20 30 GHEDRO Cc1ccccc1C[C@@H]([NH3+])Cc1nc(-c2ccc(Br)cc2C#N)no1 ZINC001248181952 1035610676 /nfs/dbraw/zinc/61/06/76/1035610676.db2.gz XHHVJKFNGVHQSL-MRXNPFEDSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(C[C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC001248189860 1035618418 /nfs/dbraw/zinc/61/84/18/1035618418.db2.gz IDWXQCMRENZWNA-INIZCTEOSA-N 1 0 395.260 3.628 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc4c3OC(F)(F)O4)CC2)cc1 ZINC001462009559 1069942686 /nfs/dbraw/zinc/94/26/86/1069942686.db2.gz OGKDLMMYYBSQFX-UHFFFAOYSA-N 1 0 385.414 3.588 20 30 GHEDRO COC(OC)c1c(/C=N/O)ccnc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241758799 1035678120 /nfs/dbraw/zinc/67/81/20/1035678120.db2.gz PESHSYUCPANUHL-LFVJCYFKSA-N 1 0 399.491 3.713 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2ncc(F)c(Oc3ccccc3C#N)n2)cc1 ZINC001242149153 1035832426 /nfs/dbraw/zinc/83/24/26/1035832426.db2.gz KIFPGWDUQFWEBB-UHFFFAOYSA-N 1 0 378.407 3.887 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2ccc([C@H](C#N)c3ccccc3F)nn2)cc1 ZINC001242148518 1035832777 /nfs/dbraw/zinc/83/27/77/1035832777.db2.gz DDFZVTGSSCTVBK-LJQANCHMSA-N 1 0 376.435 3.879 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001242182589 1035855253 /nfs/dbraw/zinc/85/52/53/1035855253.db2.gz KGBOHKWCVHHVPO-UHFFFAOYSA-N 1 0 388.533 3.515 20 30 GHEDRO C#Cc1ccc(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC001242293328 1035876871 /nfs/dbraw/zinc/87/68/71/1035876871.db2.gz DRZAPZZBSJSIKX-GOSISDBHSA-N 1 0 391.515 3.529 20 30 GHEDRO C[C@@H]1CC(=O)C=C(c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)C1 ZINC001242740854 1035952960 /nfs/dbraw/zinc/95/29/60/1035952960.db2.gz TVFFCKSSGSIJEP-RDJZCZTQSA-N 1 0 378.476 3.579 20 30 GHEDRO N#Cc1cc(-c2cc(Br)cnc2F)ccc1OC1CC[NH2+]CC1 ZINC001243077621 1036024584 /nfs/dbraw/zinc/02/45/84/1036024584.db2.gz COSRKLWRUSZYMU-UHFFFAOYSA-N 1 0 376.229 3.653 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@@H]1CC ZINC001248749650 1036106893 /nfs/dbraw/zinc/10/68/93/1036106893.db2.gz GYMTUULDLPAFFZ-GMAHTHKFSA-N 1 0 383.536 3.503 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)c2ccccc2OC)CC1 ZINC001248753026 1036110268 /nfs/dbraw/zinc/11/02/68/1036110268.db2.gz MPALOYAKYKAXHG-UHFFFAOYSA-N 1 0 377.488 3.524 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccnc(C2=CC[C@H](C#N)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001243795241 1036283347 /nfs/dbraw/zinc/28/33/47/1036283347.db2.gz GCJHHUUGKMMGAD-IRXDYDNUSA-N 1 0 396.535 3.587 20 30 GHEDRO COc1cc(CCC#N)c(-c2ccc(N3CC[NH+](C)CC3)cc2OC)cc1OC ZINC001244158898 1036401520 /nfs/dbraw/zinc/40/15/20/1036401520.db2.gz PQPLKTKTCHCWFD-UHFFFAOYSA-N 1 0 395.503 3.587 20 30 GHEDRO N#Cc1cccc(-c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)c1F ZINC001245070017 1036752857 /nfs/dbraw/zinc/75/28/57/1036752857.db2.gz XYUUUGUSQZDGNM-MRXNPFEDSA-N 1 0 389.434 3.874 20 30 GHEDRO COc1cc(C(F)(F)F)c(C#N)c(-c2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001245335760 1036883874 /nfs/dbraw/zinc/88/38/74/1036883874.db2.gz KGBNQMHIGUUIKH-UHFFFAOYSA-N 1 0 379.382 3.978 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@@H]2C[NH+]2CCCC2)cc1C(F)(F)F ZINC001245759591 1036989663 /nfs/dbraw/zinc/98/96/63/1036989663.db2.gz CKBMQHJRBMQIFH-OAHLLOKOSA-N 1 0 382.455 3.834 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@H]1CC[NH2+][C@H](CCCC)C1)CC2 ZINC001246525799 1037457575 /nfs/dbraw/zinc/45/75/75/1037457575.db2.gz LHQPCKKCKMTCSE-UXHICEINSA-N 1 0 377.573 3.798 20 30 GHEDRO CCOC(=O)[C@@H]1C[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)CCN1 ZINC001246893438 1037708969 /nfs/dbraw/zinc/70/89/69/1037708969.db2.gz VUHPCPNMGGFIBA-LEOXJPRUSA-N 1 0 391.515 3.805 20 30 GHEDRO CSc1nc(-c2nc3cc(F)ccc3n2CC2CC[NH2+]CC2)ccc1C#N ZINC001247034301 1037855602 /nfs/dbraw/zinc/85/56/02/1037855602.db2.gz WWPRTTWFXPAVFS-UHFFFAOYSA-N 1 0 381.480 3.831 20 30 GHEDRO CN(C)c1ccc(-c2nc3cc(F)ccc3n2CC2CC[NH2+]CC2)c(F)c1C#N ZINC001247035532 1037857293 /nfs/dbraw/zinc/85/72/93/1037857293.db2.gz WSUMEXBVJHOJJP-UHFFFAOYSA-N 1 0 395.457 3.919 20 30 GHEDRO CCCCCCCCNC(=S)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001247147752 1037947069 /nfs/dbraw/zinc/94/70/69/1037947069.db2.gz VMGPXZWMYSTUII-IFMALSPDSA-N 1 0 395.657 3.902 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(Br)nc1C)CC2 ZINC001232320897 1038088292 /nfs/dbraw/zinc/08/82/92/1038088292.db2.gz JPYRARFLJMIVSY-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO C=C[C@@H]1C[C@]1(N)c1nc(-c2cccc(Br)c2Br)no1 ZINC001247621818 1038279099 /nfs/dbraw/zinc/27/90/99/1038279099.db2.gz ZSSHTCIAYACATB-FUXBKTLASA-N 1 0 385.059 3.622 20 30 GHEDRO C=CCCCNC(=S)N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001247727530 1038349363 /nfs/dbraw/zinc/34/93/63/1038349363.db2.gz PFSVQMOLLWYMSQ-HXUWFJFHSA-N 1 0 387.593 3.583 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3SC)C2)C1=O ZINC001277688337 1038388100 /nfs/dbraw/zinc/38/81/00/1038388100.db2.gz JSOZBOWHSPCKTI-FQEVSTJZSA-N 1 0 392.952 3.979 20 30 GHEDRO CC(C)(C)OC(=O)C[C@H]([NH3+])Cc1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001247819687 1038405110 /nfs/dbraw/zinc/40/51/10/1038405110.db2.gz FKDCYDMAXIVRJB-SNVBAGLBSA-N 1 0 397.262 3.517 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3CCN4)n2)cc1 ZINC001247836426 1038414503 /nfs/dbraw/zinc/41/45/03/1038414503.db2.gz MEUBPBGPAQPSRD-GCJKJVERSA-N 1 0 384.524 3.884 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3c1cccc3C(=O)OC)C2 ZINC001232709154 1038508145 /nfs/dbraw/zinc/50/81/45/1038508145.db2.gz CZUHUZWSGGESTG-REWPJTCUSA-N 1 0 398.503 3.528 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@H]4[C@H]5CC[C@]6(C[NH2+]C[C@@H]46)O5)n3)cc2)cc1 ZINC001247950735 1038512478 /nfs/dbraw/zinc/51/24/78/1038512478.db2.gz JMKAGFYAVPBJKJ-DZCCDHAISA-N 1 0 384.439 3.510 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc4ncsc4c3)CC2)cc1 ZINC001232744590 1038530889 /nfs/dbraw/zinc/53/08/89/1038530889.db2.gz RSYWHURVSWWIDT-UHFFFAOYSA-N 1 0 391.500 3.954 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C#N)s3)O2)cs1 ZINC001232843331 1038595404 /nfs/dbraw/zinc/59/54/04/1038595404.db2.gz VXMRDRUXORJOHF-KFKAGJAMSA-N 1 0 389.546 3.723 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001232890508 1038674951 /nfs/dbraw/zinc/67/49/51/1038674951.db2.gz GWDMMEYUYOEXGE-PKTZIBPZSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1cc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1Br ZINC001232894866 1038687784 /nfs/dbraw/zinc/68/77/84/1038687784.db2.gz GHPYYLJFKRKGRW-PMACEKPBSA-N 1 0 396.332 3.885 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)n1 ZINC001232924176 1038712020 /nfs/dbraw/zinc/71/20/20/1038712020.db2.gz SPWPLPCZNVCBQD-UHFFFAOYSA-N 1 0 378.520 3.514 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC001232923234 1038712155 /nfs/dbraw/zinc/71/21/55/1038712155.db2.gz SLPCBWDPIMZLRE-MSOLQXFVSA-N 1 0 384.524 3.812 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c(C#N)c1 ZINC001232965342 1038740241 /nfs/dbraw/zinc/74/02/41/1038740241.db2.gz WGDKBAATALTVLP-YTFSRNRJSA-N 1 0 377.488 3.600 20 30 GHEDRO C=CC[NH+](CC=C)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC001232982455 1038750216 /nfs/dbraw/zinc/75/02/16/1038750216.db2.gz UGEONQZHNUJZHN-UHFFFAOYSA-N 1 0 387.524 3.623 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(O)cc(Br)c1)C2 ZINC001232996291 1038757361 /nfs/dbraw/zinc/75/73/61/1038757361.db2.gz LNCLQEGFVISJOT-RBUKOAKNSA-N 1 0 396.325 3.728 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC001251989563 1038796332 /nfs/dbraw/zinc/79/63/32/1038796332.db2.gz PHQWKLXARHQWIG-NRFANRHFSA-N 1 0 380.536 3.986 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)s1 ZINC001252069418 1038843074 /nfs/dbraw/zinc/84/30/74/1038843074.db2.gz RKMOAEFCEFKXBH-SFHVURJKSA-N 1 0 380.517 3.666 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001233081645 1038851669 /nfs/dbraw/zinc/85/16/69/1038851669.db2.gz KDTUFDHLZQSTDJ-VWLOTQADSA-N 1 0 387.527 3.924 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@H]1CC ZINC001252127923 1038877120 /nfs/dbraw/zinc/87/71/20/1038877120.db2.gz HASDMEQIZNJHHF-XPNTWCBSSA-N 1 0 396.616 3.980 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N(C)C)c(C#N)c1F)[C@@H]2CC ZINC001233099158 1038877338 /nfs/dbraw/zinc/87/73/38/1038877338.db2.gz PXDKCAQFVXJXGD-OFNKIYASSA-N 1 0 398.526 3.685 20 30 GHEDRO C[N@H+](C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 ZINC001252313621 1038939915 /nfs/dbraw/zinc/93/99/15/1038939915.db2.gz ONILYLYFNXWGOW-SFHVURJKSA-N 1 0 383.414 3.531 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252321182 1038941735 /nfs/dbraw/zinc/94/17/35/1038941735.db2.gz ITHXMLSZBGVWCV-YJBOKZPZSA-N 1 0 383.414 3.531 20 30 GHEDRO C[C@@](O)(C[NH+]1CCCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323620 1038942389 /nfs/dbraw/zinc/94/23/89/1038942389.db2.gz ZHZRDROFERNOGS-GOSISDBHSA-N 1 0 383.414 3.533 20 30 GHEDRO C=CCCCC[N@@H+](C)C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252324292 1038942723 /nfs/dbraw/zinc/94/27/23/1038942723.db2.gz IDBLQJZFXILHKG-GOSISDBHSA-N 1 0 383.414 3.555 20 30 GHEDRO C[C@@H]1CCc2nc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)sc2C1 ZINC001252503564 1039009478 /nfs/dbraw/zinc/00/94/78/1039009478.db2.gz QYHNZGNSUTZJHI-OAHLLOKOSA-N 1 0 397.548 3.735 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]Cc1cccnc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001252613752 1039049371 /nfs/dbraw/zinc/04/93/71/1039049371.db2.gz AARFBXQGFUNYDX-IBGZPJMESA-N 1 0 389.540 3.613 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(O)c1Cl)[C@@H]2CC ZINC001233399342 1039237398 /nfs/dbraw/zinc/23/73/98/1039237398.db2.gz TWKYWRQNQSUQKX-UTKZUKDTSA-N 1 0 392.927 3.976 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC(OCC(=O)NCCC)CC1 ZINC001252982690 1039310310 /nfs/dbraw/zinc/31/03/10/1039310310.db2.gz LCNYEHSWHACGIE-FQEVSTJZSA-N 1 0 384.605 3.885 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2F)CC1 ZINC001462358960 1070197320 /nfs/dbraw/zinc/19/73/20/1070197320.db2.gz DOXPIMMTGARVCW-IBGZPJMESA-N 1 0 394.494 3.994 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[N@@H+]3CCC[C@H]3C2)c1=S ZINC001253086630 1039414393 /nfs/dbraw/zinc/41/43/93/1039414393.db2.gz PZYMQQCZGPQHGS-IBGZPJMESA-N 1 0 383.565 3.703 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001253235829 1039489425 /nfs/dbraw/zinc/48/94/25/1039489425.db2.gz ORGONWXDAKQXJW-GOTSBHOMSA-N 1 0 387.568 3.640 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2nc(C(=O)OCC)sc2CC1 ZINC001253235170 1039489907 /nfs/dbraw/zinc/48/99/07/1039489907.db2.gz IHBDXAFGFVBMGD-MRXNPFEDSA-N 1 0 380.554 3.608 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001253238407 1039494330 /nfs/dbraw/zinc/49/43/30/1039494330.db2.gz DRMYRLXESHKNFE-VWNXMTODSA-N 1 0 395.547 3.875 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1 ZINC001253238670 1039494649 /nfs/dbraw/zinc/49/46/49/1039494649.db2.gz DAZVHHJOVIZICK-HXUWFJFHSA-N 1 0 399.535 3.541 20 30 GHEDRO COC(=O)c1ccc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C#N)c1 ZINC001233631963 1039497558 /nfs/dbraw/zinc/49/75/58/1039497558.db2.gz KGFKLEKTIRTRBK-RCZSKKKRSA-N 1 0 376.456 3.634 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001233877224 1039678293 /nfs/dbraw/zinc/67/82/93/1039678293.db2.gz XUPDJCWXNVADCO-AWEZNQCLSA-N 1 0 395.347 3.563 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+]C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253496120 1039678683 /nfs/dbraw/zinc/67/86/83/1039678683.db2.gz DBRZBPCVACWTPD-NRFANRHFSA-N 1 0 380.960 3.722 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001253563656 1039705884 /nfs/dbraw/zinc/70/58/84/1039705884.db2.gz MCBRYVXQFVDLCE-HXUWFJFHSA-N 1 0 382.589 3.639 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588247 1039711723 /nfs/dbraw/zinc/71/17/23/1039711723.db2.gz UOYYZKRYJXFBKV-RTBURBONSA-N 1 0 378.488 3.574 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC1CC(=O)C1 ZINC001253613523 1039721304 /nfs/dbraw/zinc/72/13/04/1039721304.db2.gz BQOBMJUYGFRFEE-JOCHJYFZSA-N 1 0 385.589 3.870 20 30 GHEDRO COc1ccccc1/C=C/C(=O)c1ccccc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001234090548 1039829748 /nfs/dbraw/zinc/82/97/48/1039829748.db2.gz UFFKAFBFFZZHRM-NNYWVQRNSA-N 1 0 391.467 3.774 20 30 GHEDRO C=CCC[N@H+](Cc1ccccc1)C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253871697 1039872685 /nfs/dbraw/zinc/87/26/85/1039872685.db2.gz WKTIYAXQEZTPTR-YADHBBJMSA-N 1 0 398.457 3.585 20 30 GHEDRO N#Cc1cc(F)cc(Br)c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001234406319 1040009868 /nfs/dbraw/zinc/00/98/68/1040009868.db2.gz IJBXOBUUZFLBEI-UHFFFAOYSA-N 1 0 376.229 3.903 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC001254346594 1040180502 /nfs/dbraw/zinc/18/05/02/1040180502.db2.gz RITYNYSTIMPXNF-KOENEWCDSA-N 1 0 382.479 3.697 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCCN(c3ncccn3)C2)CC1 ZINC001254351590 1040185073 /nfs/dbraw/zinc/18/50/73/1040185073.db2.gz MADLVZRXJOXAKJ-FUHYEJFZSA-N 1 0 379.483 3.578 20 30 GHEDRO C#C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C1CCOCC1 ZINC001462448938 1070259694 /nfs/dbraw/zinc/25/96/94/1070259694.db2.gz VMDDGSAHZXZIDJ-FSSWDIPSSA-N 1 0 398.547 3.798 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+]([C@H](CCC)CCc3ccccc3)CC2)C1=O ZINC001254494487 1040280731 /nfs/dbraw/zinc/28/07/31/1040280731.db2.gz NYHCKLWXBZAFRC-JOCHJYFZSA-N 1 0 383.580 3.583 20 30 GHEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001254543429 1040313229 /nfs/dbraw/zinc/31/32/29/1040313229.db2.gz RIABKDNYABVOCJ-GOSISDBHSA-N 1 0 378.476 3.674 20 30 GHEDRO COc1cc2c(ccnc2O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234866695 1040379267 /nfs/dbraw/zinc/37/92/67/1040379267.db2.gz FFBUSMCEPNSEJV-GOSISDBHSA-N 1 0 377.419 3.907 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254646912 1040416530 /nfs/dbraw/zinc/41/65/30/1040416530.db2.gz CYVPODZXHNOLEX-FAIQAVJNSA-N 1 0 381.476 3.737 20 30 GHEDRO N#C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)C1 ZINC001254662804 1040424775 /nfs/dbraw/zinc/42/47/75/1040424775.db2.gz LFWPPJYTTNIIGD-XLIONFOSSA-N 1 0 391.494 3.662 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@]2(c2ccccc2)C1 ZINC001254671181 1040430851 /nfs/dbraw/zinc/43/08/51/1040430851.db2.gz PTXXYJPWYOJARC-QUZFRVLNSA-N 1 0 381.520 3.799 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc(C)c1OCCO ZINC001235373566 1040883669 /nfs/dbraw/zinc/88/36/69/1040883669.db2.gz LWYJDHPTMCMWPV-JOCHJYFZSA-N 1 0 380.488 3.590 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(F)c1C#N ZINC001235378298 1040892132 /nfs/dbraw/zinc/89/21/32/1040892132.db2.gz CMFHWRWPYROJJH-YKSBVNFPSA-N 1 0 392.522 3.517 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001255198015 1040901935 /nfs/dbraw/zinc/90/19/35/1040901935.db2.gz IDSLFLHJJXPEMX-MUJYYYPQSA-N 1 0 381.398 3.819 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnc(OC(C)C)cc3C)C2)C1 ZINC001235418438 1040922864 /nfs/dbraw/zinc/92/28/64/1040922864.db2.gz RGWHVKUFVFXCSH-QFIPXVFZSA-N 1 0 387.524 3.788 20 30 GHEDRO Cc1nc(CN2C[C@]3(CC2=O)CCCCN3Cc2ccc(C#N)s2)cs1 ZINC001277949254 1040962186 /nfs/dbraw/zinc/96/21/86/1040962186.db2.gz VBRYEQQREXASSJ-LJQANCHMSA-N 1 0 386.546 3.542 20 30 GHEDRO CCCc1c(NC(=O)[C@@H]2CCCC[N@H+]2CCC)cnn1-c1cccc(C#N)c1 ZINC001255504329 1041097593 /nfs/dbraw/zinc/09/75/93/1041097593.db2.gz LWGGXVFPVBOGQH-NRFANRHFSA-N 1 0 379.508 3.899 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255697052 1041222489 /nfs/dbraw/zinc/22/24/89/1041222489.db2.gz KUOYEBVSELTBDY-NVXWUHKLSA-N 1 0 379.426 3.874 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(C)c(Br)cn3)CC2)C1=O ZINC001277972766 1041356775 /nfs/dbraw/zinc/35/67/75/1041356775.db2.gz ADMJNINRXIXZNX-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001462538511 1070339917 /nfs/dbraw/zinc/33/99/17/1070339917.db2.gz LGKAQBHTLXCYJT-UGKGYDQZSA-N 1 0 391.515 3.839 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001255928321 1041416735 /nfs/dbraw/zinc/41/67/35/1041416735.db2.gz NXECFWCCFIANIV-JOCHJYFZSA-N 1 0 391.515 3.817 20 30 GHEDRO C=CCOCc1nn([C@@H]2CCc3cccc(Br)c3C2)c2c1C[NH2+]C2 ZINC001256134428 1041569104 /nfs/dbraw/zinc/56/91/04/1041569104.db2.gz HHLQUWLVAZNFAU-CQSZACIVSA-N 1 0 388.309 3.681 20 30 GHEDRO CN(CCC#N)c1ccc(CN(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236357982 1041681437 /nfs/dbraw/zinc/68/14/37/1041681437.db2.gz UKWCCEVPGYWLPL-JOCHJYFZSA-N 1 0 380.511 3.930 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(O)cc(OC)cc3Cl)C2)C1 ZINC001236796922 1041901390 /nfs/dbraw/zinc/90/13/90/1041901390.db2.gz AKZBEYRMLSNEJB-HXUWFJFHSA-N 1 0 394.899 3.665 20 30 GHEDRO COc1ccc(CN(C)Cc2ccc(C#N)c(Br)c2)c(OC)c1 ZINC001236862037 1041932461 /nfs/dbraw/zinc/93/24/61/1041932461.db2.gz MPGMJGYTHXIRSS-UHFFFAOYSA-N 1 0 375.266 3.970 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(F)c(N4CCOCC4)c3)C2)c1 ZINC001236960933 1041970005 /nfs/dbraw/zinc/97/00/05/1041970005.db2.gz LTTCYJFDBBMNTL-NRFANRHFSA-N 1 0 395.478 3.577 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cc(O)cc(F)c4)C3)C2)c1 ZINC001237280134 1042121324 /nfs/dbraw/zinc/12/13/24/1042121324.db2.gz LLQSEPJUXCHZSR-HSZRJFAPSA-N 1 0 395.478 3.522 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3[nH]c(C(=O)OC)cc3c1)C2 ZINC001237309916 1042138702 /nfs/dbraw/zinc/13/87/02/1042138702.db2.gz JPEQUCIYNSXIJG-GMAHTHKFSA-N 1 0 398.503 3.528 20 30 GHEDRO COc1cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)ccc1C#N ZINC001278088265 1042169766 /nfs/dbraw/zinc/16/97/66/1042169766.db2.gz VOKVKLBHHBKSBS-KSZLIROESA-N 1 0 377.488 3.690 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)[C@@H]2CC ZINC001237467200 1042220522 /nfs/dbraw/zinc/22/05/22/1042220522.db2.gz OSNWWYZKMQJDNZ-VWNXMTODSA-N 1 0 390.531 3.972 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cn(C)c3ccc(C#N)cc13)CCO2 ZINC001237469287 1042221416 /nfs/dbraw/zinc/22/14/16/1042221416.db2.gz RYQNDYMZEJKSKH-NFBKMPQASA-N 1 0 379.504 3.624 20 30 GHEDRO Cn1cc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c2cc(C#N)ccc21 ZINC001237470940 1042222976 /nfs/dbraw/zinc/22/29/76/1042222976.db2.gz LBUOVNXFFBDAEK-UHFFFAOYSA-N 1 0 380.492 3.539 20 30 GHEDRO CO[C@@H](C[NH+]1CCN(Cc2cn(C)c3ccc(C#N)cc23)CC1)c1ccccc1 ZINC001237472422 1042223656 /nfs/dbraw/zinc/22/36/56/1042223656.db2.gz HTNDMDRVHKRVBF-DEOSSOPVSA-N 1 0 388.515 3.555 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)c(F)cc1F ZINC001237525306 1042250829 /nfs/dbraw/zinc/25/08/29/1042250829.db2.gz CWMWBSRYWSZXQN-INIZCTEOSA-N 1 0 387.474 3.745 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(C#N)c(F)cc3F)CC[C@@H]2C1 ZINC001237526141 1042251452 /nfs/dbraw/zinc/25/14/52/1042251452.db2.gz ZCDGIWMSOOGSMO-GASCZTMLSA-N 1 0 391.462 3.915 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(C#N)c(F)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001237526079 1042251477 /nfs/dbraw/zinc/25/14/77/1042251477.db2.gz KFEZIJQTFUPZTR-XXBNENTESA-N 1 0 395.453 3.674 20 30 GHEDRO N#Cc1ccc2nc(C[N@H+]3CC[C@@H](c4ccc(Br)cc4)C3)cn2c1 ZINC001237613342 1042281857 /nfs/dbraw/zinc/28/18/57/1042281857.db2.gz GGEOZVVXDBBDFI-MRXNPFEDSA-N 1 0 381.277 3.958 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)c(C)cc1O)C2 ZINC001237678774 1042320177 /nfs/dbraw/zinc/32/01/77/1042320177.db2.gz MCGQJZKOZHQSNN-LPHOPBHVSA-N 1 0 396.325 3.789 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC001237750717 1042352786 /nfs/dbraw/zinc/35/27/86/1042352786.db2.gz MQVPSLBYCNUQAO-PKTZIBPZSA-N 1 0 395.934 3.729 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1 ZINC001237750360 1042353130 /nfs/dbraw/zinc/35/31/30/1042353130.db2.gz IRINHMRBUBZISJ-OAQYLSRUSA-N 1 0 397.906 3.947 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(-c4cccc(Cl)c4)no3)C2)C1=O ZINC001237771806 1042361793 /nfs/dbraw/zinc/36/17/93/1042361793.db2.gz XNCUHQOTFFMCSE-OAQYLSRUSA-N 1 0 385.895 3.996 20 30 GHEDRO Cc1nc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)ccc1F ZINC001237816393 1042383641 /nfs/dbraw/zinc/38/36/41/1042383641.db2.gz KBBQXGDIZCOGPR-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO COc1cc(CN2CCC[C@H](CC#N)C2)c(Br)c(OC)c1OC ZINC001237963082 1042438640 /nfs/dbraw/zinc/43/86/40/1042438640.db2.gz QSPRBYZDNSFTDR-GFCCVEGCSA-N 1 0 383.286 3.601 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4ccc(C#N)cc4Cl)CC[N@@H+]3C2)cc1 ZINC001238081491 1042484545 /nfs/dbraw/zinc/48/45/45/1042484545.db2.gz BLLWWYPILDOSPJ-CTNGQTDRSA-N 1 0 381.907 3.858 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NC[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001238328626 1042558190 /nfs/dbraw/zinc/55/81/90/1042558190.db2.gz SMHNXPJFLCHXTH-UFYCRDLUSA-N 1 0 388.618 3.594 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cncc(OCc3ccccc3)c1)CC2 ZINC001238366423 1042571511 /nfs/dbraw/zinc/57/15/11/1042571511.db2.gz VZWPLUFGSKYASU-UHFFFAOYSA-N 1 0 391.515 3.804 20 30 GHEDRO Cn1cc(CN2C[C@H]3C[C@@H](C2)N3CCc2c(Cl)cccc2Cl)cc1C#N ZINC001278230153 1042588756 /nfs/dbraw/zinc/58/87/56/1042588756.db2.gz AZXSQVKMSGANJU-CALCHBBNSA-N 1 0 389.330 3.705 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cncc(OC(C)C)c3)CC2)C1 ZINC001238463563 1042604426 /nfs/dbraw/zinc/60/44/26/1042604426.db2.gz XDELXBBPQZGCMM-UHFFFAOYSA-N 1 0 387.524 3.869 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)ccc1C#N ZINC001238762982 1042718734 /nfs/dbraw/zinc/71/87/34/1042718734.db2.gz OVGGPCYHDNAQHL-FQEVSTJZSA-N 1 0 395.547 3.504 20 30 GHEDRO CCc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)ccc1C#N ZINC001238763085 1042718854 /nfs/dbraw/zinc/71/88/54/1042718854.db2.gz PUTKIHAOVJUPNL-NOZRDPDXSA-N 1 0 387.527 3.959 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)ccc1C#N ZINC001238762513 1042718868 /nfs/dbraw/zinc/71/88/68/1042718868.db2.gz LFBIECIWVAQCIF-UHFFFAOYSA-N 1 0 395.528 3.580 20 30 GHEDRO F[C@H]1C[NH2+][C@H](CNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001239358529 1042812950 /nfs/dbraw/zinc/81/29/50/1042812950.db2.gz UNXZRTPCUUUFLI-KOLCDFICSA-N 1 0 389.340 3.711 20 30 GHEDRO CCCCCCCCCNC(=S)NC[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001239403157 1042823238 /nfs/dbraw/zinc/82/32/38/1042823238.db2.gz XHNQGJCRFLEUIU-GOSISDBHSA-N 1 0 379.570 3.688 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239422370 1042825789 /nfs/dbraw/zinc/82/57/89/1042825789.db2.gz IWXFCXGUCQIEFH-PMACEKPBSA-N 1 0 382.662 3.808 20 30 GHEDRO N#CCc1ccc(OCc2ccc(-c3cccc(CN4CC[NH2+]CC4)c3)nc2)cc1 ZINC001240232378 1042911537 /nfs/dbraw/zinc/91/15/37/1042911537.db2.gz WZEHJYWRDWZPST-UHFFFAOYSA-N 1 0 398.510 3.799 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001291045334 1043052050 /nfs/dbraw/zinc/05/20/50/1043052050.db2.gz BUFGBDRVPAILBA-MSOLQXFVSA-N 1 0 380.540 3.782 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1nc(C2CCCC2)cs1 ZINC001291641025 1043369259 /nfs/dbraw/zinc/36/92/59/1043369259.db2.gz LPNLFQWJBUGGIK-UHFFFAOYSA-N 1 0 396.560 3.805 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535309 1043476680 /nfs/dbraw/zinc/47/66/80/1043476680.db2.gz FAACQWLAPAQWCI-KNQAVFIVSA-N 1 0 385.552 3.664 20 30 GHEDRO C=CCOCc1ncn2c1CN([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC001256542916 1043497013 /nfs/dbraw/zinc/49/70/13/1043497013.db2.gz LPKVJMULCHBXGB-IFMALSPDSA-N 1 0 394.563 3.845 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCN(Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552004 1043515790 /nfs/dbraw/zinc/51/57/90/1043515790.db2.gz WTKIGOBMLMFCGC-TWDDROGUSA-N 1 0 384.564 3.866 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC001256585256 1043553404 /nfs/dbraw/zinc/55/34/04/1043553404.db2.gz PGKPAYXUTUFEAK-MRXNPFEDSA-N 1 0 398.732 3.514 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3CCc4c(cccc4OC)C3)C2)C1 ZINC001256644672 1043590477 /nfs/dbraw/zinc/59/04/77/1043590477.db2.gz YLAHAEJKQRYMSF-CVDCTZTESA-N 1 0 384.520 3.663 20 30 GHEDRO CN(C(=O)OC(C)(C)C)C1CCC([NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC001256666527 1043608517 /nfs/dbraw/zinc/60/85/17/1043608517.db2.gz LGLACDUBLTUUHE-UHFFFAOYSA-N 1 0 398.551 3.858 20 30 GHEDRO N#Cc1cccc(OCC[NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)c1 ZINC001256881476 1043717945 /nfs/dbraw/zinc/71/79/45/1043717945.db2.gz JDKVXIHWQCGENT-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001292464771 1043746748 /nfs/dbraw/zinc/74/67/48/1043746748.db2.gz JMYYOPHQCMALRY-NTCAYCPXSA-N 1 0 382.479 3.779 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)[NH+](CC)CC)cc1 ZINC001292483463 1043755865 /nfs/dbraw/zinc/75/58/65/1043755865.db2.gz CADAUDXTYANHEN-SFHVURJKSA-N 1 0 394.567 3.978 20 30 GHEDRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](C1CCC(C#N)CC1)CC2 ZINC001256963249 1043774390 /nfs/dbraw/zinc/77/43/90/1043774390.db2.gz DRPGRTLFHOFGFJ-KITAHSCOSA-N 1 0 395.547 3.566 20 30 GHEDRO CC(C)(C)OC(=O)NCCOCC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013452 1043799082 /nfs/dbraw/zinc/79/90/82/1043799082.db2.gz HXYLZYQFCFFNHR-UHFFFAOYSA-N 1 0 387.524 3.715 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)CC[C@H]1O ZINC001257018733 1043803941 /nfs/dbraw/zinc/80/39/41/1043803941.db2.gz DAYMZHBKEFRQGK-TZWRJOPASA-N 1 0 399.535 3.544 20 30 GHEDRO CCCNC(=O)COC1CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257022392 1043806862 /nfs/dbraw/zinc/80/68/62/1043806862.db2.gz LTJDJANTCHAXEC-UHFFFAOYSA-N 1 0 383.536 3.592 20 30 GHEDRO CC(C)[C@H]1C[C@H]([NH2+]CCOc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001257178203 1043920126 /nfs/dbraw/zinc/92/01/26/1043920126.db2.gz FVOSOWGWHJMFFI-UYAOXDASSA-N 1 0 387.524 3.951 20 30 GHEDRO CCCCCCCCCC[C@@H](C)[N@@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001257550762 1044035566 /nfs/dbraw/zinc/03/55/66/1044035566.db2.gz TYZFTJBBDZOAHO-IFMALSPDSA-N 1 0 382.589 3.855 20 30 GHEDRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001293305710 1044102061 /nfs/dbraw/zinc/10/20/61/1044102061.db2.gz RZKWUFIXBWAKJB-WIYYLYMNSA-N 1 0 392.551 3.927 20 30 GHEDRO CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+](C)C(C)C)CC1 ZINC001293467375 1044197005 /nfs/dbraw/zinc/19/70/05/1044197005.db2.gz RJSHYQSWPFDGCH-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H]3CO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H](C1)C2 ZINC001257886528 1044244806 /nfs/dbraw/zinc/24/48/06/1044244806.db2.gz IEZYEYUAUQEQEP-WBMMFZBISA-N 1 0 376.541 3.879 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CN(CC5CC5)C(=O)[C@H]4COC)CC3)C[C@H](C1)C2 ZINC001257891070 1044246065 /nfs/dbraw/zinc/24/60/65/1044246065.db2.gz DSVBJYZLIFEFLW-IUPYZPJSSA-N 1 0 386.580 3.718 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001258041271 1044366067 /nfs/dbraw/zinc/36/60/67/1044366067.db2.gz RHDADNAEKNYBQL-GOSISDBHSA-N 1 0 382.570 3.546 20 30 GHEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C ZINC001258044323 1044367086 /nfs/dbraw/zinc/36/70/86/1044367086.db2.gz LTJDPMPTMJZYDA-RBUKOAKNSA-N 1 0 390.572 3.755 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001258047524 1044369694 /nfs/dbraw/zinc/36/96/94/1044369694.db2.gz LRFNTEVCQQWTHZ-SJBKTWHCSA-N 1 0 380.573 3.608 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCN(CCc3ccccc3)CC1)CC2 ZINC001258144120 1044431035 /nfs/dbraw/zinc/43/10/35/1044431035.db2.gz RZJPVEQDRHCWKR-RUZDIDTESA-N 1 0 395.591 3.727 20 30 GHEDRO C[C@H]1CC([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)C[C@H](C)C1 ZINC001258159522 1044446608 /nfs/dbraw/zinc/44/66/08/1044446608.db2.gz MAENLLAQDHRTBI-DNVFCKCGSA-N 1 0 382.552 3.697 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1CC ZINC001294216920 1044530716 /nfs/dbraw/zinc/53/07/16/1044530716.db2.gz LNKJHXDILOSEHM-FQEVSTJZSA-N 1 0 380.540 3.927 20 30 GHEDRO CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001294269301 1044558994 /nfs/dbraw/zinc/55/89/94/1044558994.db2.gz INQPQAAMPWPNNR-UHFFFAOYSA-N 1 0 378.524 3.681 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(C#N)CC1 ZINC001294309623 1044578070 /nfs/dbraw/zinc/57/80/70/1044578070.db2.gz CFRITBRTJUKDPB-FQEVSTJZSA-N 1 0 384.572 3.940 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCN(c3ccccc3Cl)CC1)C2 ZINC001258536478 1044614021 /nfs/dbraw/zinc/61/40/21/1044614021.db2.gz RPUHFJAZBTYIJN-LJQANCHMSA-N 1 0 397.950 3.804 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)[N@@H+]1CC[C@H]2O[C@H](C(=O)NCCOC)C[C@H]21 ZINC001258714798 1044733350 /nfs/dbraw/zinc/73/33/50/1044733350.db2.gz VUZPXLIDRLZRCV-NCYKPQTJSA-N 1 0 382.589 3.756 20 30 GHEDRO CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001295279944 1044973364 /nfs/dbraw/zinc/97/33/64/1044973364.db2.gz XAYZLNDGAMKKOO-HXUWFJFHSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[NH+](CC)[C@@H](Cn1c(N(C)[C@@H](C)CC#N)nnc1C(C)(C)C)c1ccco1 ZINC001295404700 1045000781 /nfs/dbraw/zinc/00/07/81/1045000781.db2.gz MFTMTECQSQJVKX-IRXDYDNUSA-N 1 0 386.544 3.990 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(C)C ZINC001296060391 1045238294 /nfs/dbraw/zinc/23/82/94/1045238294.db2.gz ACUFIRMLXNEKQG-FQEVSTJZSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C ZINC001296090671 1045250974 /nfs/dbraw/zinc/25/09/74/1045250974.db2.gz WJWHEGQGSRPKGV-YLJYHZDGSA-N 1 0 378.524 3.680 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(C#N)sc3ccccc32)C1 ZINC001462904369 1070646043 /nfs/dbraw/zinc/64/60/43/1070646043.db2.gz AOURLBDEZASLII-AWEZNQCLSA-N 1 0 391.562 3.562 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC001297960322 1045667586 /nfs/dbraw/zinc/66/75/86/1045667586.db2.gz KDLGLGYXFXJWLR-SFHVURJKSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC001261436361 1045997456 /nfs/dbraw/zinc/99/74/56/1045997456.db2.gz ZBQWRRWCCHDXOB-JOCHJYFZSA-N 1 0 399.498 3.799 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000495384595 1046045451 /nfs/dbraw/zinc/04/54/51/1046045451.db2.gz FJGZJCAJFGVMLN-IBGZPJMESA-N 1 0 378.476 3.743 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300800669 1046169035 /nfs/dbraw/zinc/16/90/35/1046169035.db2.gz ZFOPYTWAYJRDIL-HSZRJFAPSA-N 1 0 394.567 3.540 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(COc3cccc(F)c3)cc2)CCOCC1 ZINC001262576413 1046272784 /nfs/dbraw/zinc/27/27/84/1046272784.db2.gz PHSRCDBBOKRQGX-NRFANRHFSA-N 1 0 398.478 3.566 20 30 GHEDRO C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300990275 1046277752 /nfs/dbraw/zinc/27/77/52/1046277752.db2.gz UQXZVPFJYGABSW-UHFFFAOYSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001301097149 1046339454 /nfs/dbraw/zinc/33/94/54/1046339454.db2.gz QAGLBQFPMOUENX-HXUWFJFHSA-N 1 0 387.572 3.798 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301154330 1046376472 /nfs/dbraw/zinc/37/64/72/1046376472.db2.gz PKNJXMLAERPABQ-HXUWFJFHSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001301280504 1046450287 /nfs/dbraw/zinc/45/02/87/1046450287.db2.gz NTJBHONXMBDWFB-SFHVURJKSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001301281074 1046450839 /nfs/dbraw/zinc/45/08/39/1046450839.db2.gz AOIDIHJPKQYQKR-GOSISDBHSA-N 1 0 383.540 3.698 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCCC[N@H+]1CC ZINC001301283280 1046452623 /nfs/dbraw/zinc/45/26/23/1046452623.db2.gz UWMFHJLBIKYTFL-IBGZPJMESA-N 1 0 390.535 3.990 20 30 GHEDRO C=CCn1c(C[C@H](C)SCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001262965686 1046455527 /nfs/dbraw/zinc/45/55/27/1046455527.db2.gz TVMHAHPPZCVYPW-KRWDZBQOSA-N 1 0 377.602 3.603 20 30 GHEDRO C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[N@H+]1CCC ZINC001301299610 1046463467 /nfs/dbraw/zinc/46/34/67/1046463467.db2.gz PPJKFOZMUVMXRU-INIZCTEOSA-N 1 0 389.494 3.644 20 30 GHEDRO C=CCN(C)c1nnc(CC2CC2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001301305666 1046467671 /nfs/dbraw/zinc/46/76/71/1046467671.db2.gz KMJPLTGCQYWFPC-PXNSSMCTSA-N 1 0 385.581 3.997 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001301308791 1046470618 /nfs/dbraw/zinc/47/06/18/1046470618.db2.gz KPACDIQPPABALW-PMACEKPBSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCn1c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(C#N)CCCCC1 ZINC001262992817 1046476942 /nfs/dbraw/zinc/47/69/42/1046476942.db2.gz HZJCSMAHDBZBDR-QUCCMNQESA-N 1 0 394.567 3.643 20 30 GHEDRO C=CCn1c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(C#N)CCCCC1 ZINC001262992816 1046477319 /nfs/dbraw/zinc/47/73/19/1046477319.db2.gz HZJCSMAHDBZBDR-ICSRJNTNSA-N 1 0 394.567 3.643 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001262995989 1046480218 /nfs/dbraw/zinc/48/02/18/1046480218.db2.gz SBGSQUROMYCDDX-IEBWSBKVSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCN(c1nnc(-c2ccc[nH]2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC001301323128 1046485981 /nfs/dbraw/zinc/48/59/81/1046485981.db2.gz DQNKDIKJNLURCJ-HDICACEKSA-N 1 0 382.556 3.796 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCCO2)n1CCC[NH+]1CCC(C)CC1)C1CC1 ZINC001301323767 1046487445 /nfs/dbraw/zinc/48/74/45/1046487445.db2.gz URXRCPNMJVWBJF-HXUWFJFHSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(c1nnc(CC(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC001301329709 1046493361 /nfs/dbraw/zinc/49/33/61/1046493361.db2.gz BVFPSJUQXHJXFQ-UHFFFAOYSA-N 1 0 394.567 3.943 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001301380360 1046516857 /nfs/dbraw/zinc/51/68/57/1046516857.db2.gz DSDQBALOZQALRE-SFHVURJKSA-N 1 0 382.556 3.962 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001301397300 1046525207 /nfs/dbraw/zinc/52/52/07/1046525207.db2.gz QDJKSBXTXITHJV-AZUAARDMSA-N 1 0 397.523 3.738 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1cccs1 ZINC001263498496 1046908124 /nfs/dbraw/zinc/90/81/24/1046908124.db2.gz HIPBQKWLCQQBKI-ZWKOTPCHSA-N 1 0 398.580 3.860 20 30 GHEDRO N#CCCCCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC1CC1 ZINC001263670680 1047033894 /nfs/dbraw/zinc/03/38/94/1047033894.db2.gz TZZCFEFQRCXQRO-UHFFFAOYSA-N 1 0 392.551 3.637 20 30 GHEDRO CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303045013 1047259699 /nfs/dbraw/zinc/25/96/99/1047259699.db2.gz KXPJMYGWDGGQCG-HXUWFJFHSA-N 1 0 380.540 3.639 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001303274005 1047335736 /nfs/dbraw/zinc/33/57/36/1047335736.db2.gz PSRAYHDJOLYHFT-VQTJNVASSA-N 1 0 379.435 3.798 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1)C(C)C ZINC001303290888 1047345188 /nfs/dbraw/zinc/34/51/88/1047345188.db2.gz GYMVZVHRCMKIRV-UHFFFAOYSA-N 1 0 380.540 3.924 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303665494 1047471845 /nfs/dbraw/zinc/47/18/45/1047471845.db2.gz UOCFIDRUZWYKLD-OALUTQOASA-N 1 0 380.540 3.948 20 30 GHEDRO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001303696877 1047484128 /nfs/dbraw/zinc/48/41/28/1047484128.db2.gz UHZFUMBUDXEYJB-OPAMFIHVSA-N 1 0 392.507 3.771 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC(C)(C#N)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303962567 1047546882 /nfs/dbraw/zinc/54/68/82/1047546882.db2.gz KELGXQJPNPPTAU-UHFFFAOYSA-N 1 0 386.588 3.828 20 30 GHEDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CCOCC2)cc(C)c1C#N ZINC001304165928 1047603600 /nfs/dbraw/zinc/60/36/00/1047603600.db2.gz NQBFCTANBBZPMZ-UHFFFAOYSA-N 1 0 391.515 3.540 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304451404 1047681147 /nfs/dbraw/zinc/68/11/47/1047681147.db2.gz NZHABSGFPRIWCG-ICSRJNTNSA-N 1 0 395.555 3.507 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304795234 1047770891 /nfs/dbraw/zinc/77/08/91/1047770891.db2.gz DNWAMCVFLHXFDG-VGOFRKELSA-N 1 0 380.540 3.605 20 30 GHEDRO Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001304804789 1047775101 /nfs/dbraw/zinc/77/51/01/1047775101.db2.gz MGJGUZGTRCHOED-UYAOXDASSA-N 1 0 398.580 3.861 20 30 GHEDRO C[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCCCC1 ZINC001305055462 1047863867 /nfs/dbraw/zinc/86/38/67/1047863867.db2.gz YKZJYVXDKWYABM-GOSISDBHSA-N 1 0 378.524 3.681 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001305074888 1047876352 /nfs/dbraw/zinc/87/63/52/1047876352.db2.gz ZFFYXCSTYVZYPL-RBUKOAKNSA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001305150806 1047918327 /nfs/dbraw/zinc/91/83/27/1047918327.db2.gz VIPHQEBZFHIWOO-KDURUIRLSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305436432 1048050649 /nfs/dbraw/zinc/05/06/49/1048050649.db2.gz MNDQZEWYOMVDAB-IAGOWNOFSA-N 1 0 384.528 3.818 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CC23C[NH+](CCCc2ccc(Cl)c(Cl)c2)C3)CCC1 ZINC001280054641 1048065439 /nfs/dbraw/zinc/06/54/39/1048065439.db2.gz MXOALYLAVNOKMX-HNNXBMFYSA-N 1 0 392.330 3.810 20 30 GHEDRO CS[C@H](C)CC[NH+]1CC2(C[C@H]2C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280224248 1048133848 /nfs/dbraw/zinc/13/38/48/1048133848.db2.gz QCLWDHAGDFCHHK-CJNGLKHVSA-N 1 0 389.590 3.901 20 30 GHEDRO CC(C)=CCC[C@H](C)C[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1(C#N)CCC1 ZINC001280250036 1048146921 /nfs/dbraw/zinc/14/69/21/1048146921.db2.gz ZNVUWDWEYVAWPV-ROUUACIJSA-N 1 0 375.582 3.739 20 30 GHEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@@]2(CCCN(S(=O)(=O)[C@H](C)C#N)C2)C1 ZINC001280299176 1048167507 /nfs/dbraw/zinc/16/75/07/1048167507.db2.gz FUWHOJOMNVUQFV-HSALFYBXSA-N 1 0 383.602 3.623 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)(C)C)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001286272606 1048246130 /nfs/dbraw/zinc/24/61/30/1048246130.db2.gz DATBNIMOWOCSDX-AZUAARDMSA-N 1 0 379.552 3.871 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286292786 1048259211 /nfs/dbraw/zinc/25/92/11/1048259211.db2.gz JTZFPJKLFKVJDM-SESVDKBCSA-N 1 0 399.583 3.775 20 30 GHEDRO C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001286339640 1048277953 /nfs/dbraw/zinc/27/79/53/1048277953.db2.gz QBTQBQUSXKACIH-KRWDZBQOSA-N 1 0 377.492 3.635 20 30 GHEDRO C#CCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001286355665 1048284510 /nfs/dbraw/zinc/28/45/10/1048284510.db2.gz WJCAFODOTCVLIZ-IRLDBZIGSA-N 1 0 391.563 3.540 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001286368968 1048294120 /nfs/dbraw/zinc/29/41/20/1048294120.db2.gz XEXHFWRNMKRVHI-NRFANRHFSA-N 1 0 379.552 3.841 20 30 GHEDRO C#CCN(C)c1nnc(C2CCC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001286372523 1048296469 /nfs/dbraw/zinc/29/64/69/1048296469.db2.gz VTCHGIDDFZOBAF-NRFANRHFSA-N 1 0 377.536 3.761 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)C)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001286428165 1048316995 /nfs/dbraw/zinc/31/69/95/1048316995.db2.gz PZCYZXTYWMWPTB-NRFANRHFSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001286436966 1048320750 /nfs/dbraw/zinc/32/07/50/1048320750.db2.gz CMLQYKGRMYBMHB-FQEVSTJZSA-N 1 0 393.579 3.938 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001286442641 1048325466 /nfs/dbraw/zinc/32/54/66/1048325466.db2.gz IAQWUARVGULJPW-NRFANRHFSA-N 1 0 394.567 3.619 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC[NH+]1CCCC1 ZINC001286456864 1048331892 /nfs/dbraw/zinc/33/18/92/1048331892.db2.gz YEJBYACTMZRKRH-UHFFFAOYSA-N 1 0 395.526 3.810 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[N@@H+](CC)CCC ZINC001286526107 1048351278 /nfs/dbraw/zinc/35/12/78/1048351278.db2.gz XJPAULPRIOLUFJ-OAQYLSRUSA-N 1 0 385.581 3.654 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286625716 1048395383 /nfs/dbraw/zinc/39/53/83/1048395383.db2.gz YYMYYDHIUNPBQW-GJZGRUSLSA-N 1 0 375.879 3.510 20 30 GHEDRO C=C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286636379 1048405455 /nfs/dbraw/zinc/40/54/55/1048405455.db2.gz AGXCYCVGLSMINS-UHFFFAOYSA-N 1 0 389.588 3.621 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286643839 1048409935 /nfs/dbraw/zinc/40/99/35/1048409935.db2.gz XONKKIFVMDHIIU-UHFFFAOYSA-N 1 0 383.540 3.698 20 30 GHEDRO C=C1CCN(c2nnc(C3CCCC3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001286645935 1048412383 /nfs/dbraw/zinc/41/23/83/1048412383.db2.gz JNRHTVQYFDPZBU-UHFFFAOYSA-N 1 0 389.613 3.920 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286648334 1048415096 /nfs/dbraw/zinc/41/50/96/1048415096.db2.gz QCVMBGSQOQEPIZ-UXHICEINSA-N 1 0 394.567 3.541 20 30 GHEDRO C=C1CCN(c2nnc(CC3CC3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286649692 1048417704 /nfs/dbraw/zinc/41/77/04/1048417704.db2.gz WOJHCUZKQWGMGV-UHFFFAOYSA-N 1 0 385.478 3.661 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286654028 1048421016 /nfs/dbraw/zinc/42/10/16/1048421016.db2.gz HNPGUDXPJHPDDO-UHFFFAOYSA-N 1 0 395.551 3.840 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001286662296 1048427723 /nfs/dbraw/zinc/42/77/23/1048427723.db2.gz DYAPMPNNMWHJOR-UHFFFAOYSA-N 1 0 394.567 3.542 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+](C)Cc1ccccc1 ZINC001286720614 1048477030 /nfs/dbraw/zinc/47/70/30/1048477030.db2.gz TZLQQPBBLSYFCQ-UHFFFAOYSA-N 1 0 396.926 3.748 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001286729125 1048485652 /nfs/dbraw/zinc/48/56/52/1048485652.db2.gz ONBWNQMZLLTBMY-IBGZPJMESA-N 1 0 385.581 3.841 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+](C)C(C)C)C1CC1 ZINC001286734894 1048493572 /nfs/dbraw/zinc/49/35/72/1048493572.db2.gz IWCRFBXNZKETGV-UHFFFAOYSA-N 1 0 378.524 3.702 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CC[N@H+]1CC=CCC1 ZINC001286746141 1048502443 /nfs/dbraw/zinc/50/24/43/1048502443.db2.gz PVHRMFGYYSASHN-UHFFFAOYSA-N 1 0 379.552 3.931 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CC1([NH+](C)C)CCC1 ZINC001286764269 1048515566 /nfs/dbraw/zinc/51/55/66/1048515566.db2.gz KKTYCOIQLUHMSD-UHFFFAOYSA-N 1 0 394.523 3.586 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286960764 1048554419 /nfs/dbraw/zinc/55/44/19/1048554419.db2.gz IWZNOQLGHOAIST-JKSUJKDBSA-N 1 0 398.942 3.679 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001306320266 1048565288 /nfs/dbraw/zinc/56/52/88/1048565288.db2.gz SLTXYBMOVLXXCK-ICSRJNTNSA-N 1 0 380.540 3.805 20 30 GHEDRO CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001286997695 1048566760 /nfs/dbraw/zinc/56/67/60/1048566760.db2.gz XEUKEBVRYASJOY-LJQANCHMSA-N 1 0 384.572 3.723 20 30 GHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)c1cccc(F)c1 ZINC001306909478 1048956243 /nfs/dbraw/zinc/95/62/43/1048956243.db2.gz XSIIFUREASPSLL-INIZCTEOSA-N 1 0 388.368 3.800 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1 ZINC001307054329 1049042438 /nfs/dbraw/zinc/04/24/38/1049042438.db2.gz IFYLINWRGOLDSP-OAQYLSRUSA-N 1 0 390.535 3.848 20 30 GHEDRO CC(C)(Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCCCC1 ZINC001288977140 1049273052 /nfs/dbraw/zinc/27/30/52/1049273052.db2.gz JQDTULFVKRIQEG-JOCHJYFZSA-N 1 0 384.572 3.940 20 30 GHEDRO CC(C)(Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCCCC1 ZINC001288977141 1049273431 /nfs/dbraw/zinc/27/34/31/1049273431.db2.gz JQDTULFVKRIQEG-QFIPXVFZSA-N 1 0 384.572 3.940 20 30 GHEDRO CCC[N@H+]([C@H]1C[C@H](OCC)C1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307481367 1049321162 /nfs/dbraw/zinc/32/11/62/1049321162.db2.gz FONVACMHYYXSEA-HKBOAZHASA-N 1 0 383.536 3.969 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509903 1049350119 /nfs/dbraw/zinc/35/01/19/1049350119.db2.gz MUQFSOTYPZIYQB-GBXCKJPGSA-N 1 0 389.543 3.981 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC001307554774 1049396946 /nfs/dbraw/zinc/39/69/46/1049396946.db2.gz DCCGMRRRLKTAAI-UHFFFAOYSA-N 1 0 399.498 3.661 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)C1 ZINC001307606122 1049443618 /nfs/dbraw/zinc/44/36/18/1049443618.db2.gz FNOWNISGXUFZNX-QUCCMNQESA-N 1 0 390.524 3.580 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](C[C@H](O)c3cccc(C#N)c3)C2)CC1 ZINC001307684166 1049505401 /nfs/dbraw/zinc/50/54/01/1049505401.db2.gz SMQMWPNKHARHSL-FQEVSTJZSA-N 1 0 399.535 3.705 20 30 GHEDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001307694699 1049512603 /nfs/dbraw/zinc/51/26/03/1049512603.db2.gz ZAYSOATVMPXSGM-AOCRQIFASA-N 1 0 375.538 3.549 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC001289797742 1049632534 /nfs/dbraw/zinc/63/25/34/1049632534.db2.gz OCOWKCIIMUUCCX-GCJKJVERSA-N 1 0 379.504 3.915 20 30 GHEDRO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC001308006923 1049756159 /nfs/dbraw/zinc/75/61/59/1049756159.db2.gz SJESZTFJZUZDLO-PXNSSMCTSA-N 1 0 394.918 3.947 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN(C)CCCC[NH+]2CCCCC2)cc1C ZINC001308038892 1049787677 /nfs/dbraw/zinc/78/76/77/1049787677.db2.gz NEUKHPGBAVYSRK-UHFFFAOYSA-N 1 0 384.568 3.748 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001308040909 1049792171 /nfs/dbraw/zinc/79/21/71/1049792171.db2.gz RTYBGPABRBXELG-SFTDATJTSA-N 1 0 390.531 3.701 20 30 GHEDRO C#CCC[NH+](CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F ZINC001308067507 1049815147 /nfs/dbraw/zinc/81/51/47/1049815147.db2.gz QARHNHVGLLMSCK-UHFFFAOYSA-N 1 0 393.221 3.655 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC001308106290 1049851960 /nfs/dbraw/zinc/85/19/60/1049851960.db2.gz YUSPKWPHPQVGKU-ROUUACIJSA-N 1 0 382.533 3.651 20 30 GHEDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001308118974 1049862738 /nfs/dbraw/zinc/86/27/38/1049862738.db2.gz XGIMTEKREYZRHM-IBGZPJMESA-N 1 0 376.269 3.523 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001308145974 1049883518 /nfs/dbraw/zinc/88/35/18/1049883518.db2.gz SAHSMKIOUSKNRT-UONOGXRCSA-N 1 0 385.899 3.886 20 30 GHEDRO C[C@H]1CN([C@@H](C[NH2+]Cc2csc(C#N)c2)c2c(F)cccc2Cl)CCO1 ZINC001308202849 1049910804 /nfs/dbraw/zinc/91/08/04/1049910804.db2.gz LGLHVKNQKDLIJT-UGSOOPFHSA-N 1 0 393.915 3.964 20 30 GHEDRO C=CCc1cc(C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)cc(OC)c1O ZINC001308245207 1049924865 /nfs/dbraw/zinc/92/48/65/1049924865.db2.gz TZTBREOVWWASJM-UHFFFAOYSA-N 1 0 376.497 3.618 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(c3nc(C)cs3)CC2)cc(OC)c1OC ZINC001308255497 1049928085 /nfs/dbraw/zinc/92/80/85/1049928085.db2.gz FKLFFNTVTMLKSI-UHFFFAOYSA-N 1 0 387.549 3.956 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308537256 1050002438 /nfs/dbraw/zinc/00/24/38/1050002438.db2.gz SHEMQZNAAMHCCR-FGZHOGPDSA-N 1 0 392.499 3.979 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1OC ZINC001308542141 1050004008 /nfs/dbraw/zinc/00/40/08/1050004008.db2.gz RKODZOMBOUYBFY-KURKYZTESA-N 1 0 388.508 3.890 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)cc1OCC ZINC001308557342 1050008238 /nfs/dbraw/zinc/00/82/38/1050008238.db2.gz WIKNZJJCSSBCEE-NUEKZKHPSA-N 1 0 382.298 3.822 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001308823413 1050108113 /nfs/dbraw/zinc/10/81/13/1050108113.db2.gz CSDKBNXLDMZQBB-RCCFBDPRSA-N 1 0 391.537 3.514 20 30 GHEDRO C#CC[C@H](COC)[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308888824 1050141047 /nfs/dbraw/zinc/14/10/47/1050141047.db2.gz VZTXCNJLAPATOY-RDTXWAMCSA-N 1 0 376.294 3.998 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1csc(C#N)c1 ZINC001327983463 1050346273 /nfs/dbraw/zinc/34/62/73/1050346273.db2.gz TULBREKGVUWTEM-GOSISDBHSA-N 1 0 391.500 3.824 20 30 GHEDRO C#Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC001309118456 1050373146 /nfs/dbraw/zinc/37/31/46/1050373146.db2.gz DEPYZTWNQPASTN-UHFFFAOYSA-N 1 0 382.529 3.522 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001309152902 1050406769 /nfs/dbraw/zinc/40/67/69/1050406769.db2.gz BFWSBFWJVBMPNU-SFHVURJKSA-N 1 0 399.560 3.724 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001328398381 1050495337 /nfs/dbraw/zinc/49/53/37/1050495337.db2.gz KVEPGWBFMKGJII-MDYRTPRTSA-N 1 0 391.918 3.917 20 30 GHEDRO Cc1ccccc1C(F)(F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001329611762 1050861264 /nfs/dbraw/zinc/86/12/64/1050861264.db2.gz ACVCEDSNXBBQBF-UHFFFAOYSA-N 1 0 383.442 3.739 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001329877237 1050915425 /nfs/dbraw/zinc/91/54/25/1050915425.db2.gz FMHFLJNKJOLSJY-OAQYLSRUSA-N 1 0 397.563 3.503 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001329997051 1050937256 /nfs/dbraw/zinc/93/72/56/1050937256.db2.gz ZUWBPTYORXAWGW-MJLAPFRSSA-N 1 0 380.536 3.907 20 30 GHEDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cccc(C#Cc3cccs3)c2)C[C@@H]1C ZINC001310008049 1051097188 /nfs/dbraw/zinc/09/71/88/1051097188.db2.gz BCTWTXUCWALFHZ-HDICACEKSA-N 1 0 397.544 3.721 20 30 GHEDRO CN(C(=O)C1(c2ccc(C#N)cc2)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC001331377999 1051264778 /nfs/dbraw/zinc/26/47/78/1051264778.db2.gz AIOSLRIVBONSNP-UHFFFAOYSA-N 1 0 391.515 3.973 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[NH+]([C@H](CC)c3ccccc3)CC2)c1 ZINC001310302952 1051279523 /nfs/dbraw/zinc/27/95/23/1051279523.db2.gz MRWVCVIYPPBOAF-JOCHJYFZSA-N 1 0 377.488 3.999 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001310312188 1051284067 /nfs/dbraw/zinc/28/40/67/1051284067.db2.gz IKYCJYHYXNOSDR-UHFFFAOYSA-N 1 0 385.895 3.996 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001310352543 1051303330 /nfs/dbraw/zinc/30/33/30/1051303330.db2.gz XSYOAGMPJSTXOI-SFHVURJKSA-N 1 0 393.491 3.941 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001310568408 1051454938 /nfs/dbraw/zinc/45/49/38/1051454938.db2.gz RFRVUJRKFZCFOD-JOCHJYFZSA-N 1 0 379.508 3.901 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCC1CCOCC1 ZINC001332845757 1051581006 /nfs/dbraw/zinc/58/10/06/1051581006.db2.gz YQJJJMQSSYYSAN-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[NH+](C)C)cc1 ZINC001310859213 1051659284 /nfs/dbraw/zinc/65/92/84/1051659284.db2.gz XUCFNEBFLJVRSU-CYBMUJFWSA-N 1 0 377.901 3.655 20 30 GHEDRO COc1cc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c(F)cc1C#N ZINC001311033611 1051790938 /nfs/dbraw/zinc/79/09/38/1051790938.db2.gz SCPXSTYZQDCOOI-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2OC)CC1 ZINC001311047591 1051802605 /nfs/dbraw/zinc/80/26/05/1051802605.db2.gz VPTCCUAYHIYCEQ-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO CCN(C(=O)Nc1cc(C)c(C#N)cn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001311070484 1051823695 /nfs/dbraw/zinc/82/36/95/1051823695.db2.gz PRFGSLRXPBRCPQ-PXNSSMCTSA-N 1 0 377.492 3.951 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(OC)cccc2OC(F)(F)F)CC1 ZINC001311117402 1051872577 /nfs/dbraw/zinc/87/25/77/1051872577.db2.gz VRGKVQMQZOLUIE-UHFFFAOYSA-N 1 0 387.402 3.756 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001334879068 1051997435 /nfs/dbraw/zinc/99/74/35/1051997435.db2.gz KYOLEXICLDROSO-PCCBWWKXSA-N 1 0 390.535 3.559 20 30 GHEDRO C=CC(C)(C)CCCNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001311382570 1052076431 /nfs/dbraw/zinc/07/64/31/1052076431.db2.gz YODHQBLWVFUKDE-UHFFFAOYSA-N 1 0 386.584 3.799 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1)C(C)C ZINC001311388575 1052080239 /nfs/dbraw/zinc/08/02/39/1052080239.db2.gz OVVXXRNKMBOKJS-RLLQIKCJSA-N 1 0 391.581 3.918 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1C#N ZINC001311405681 1052111400 /nfs/dbraw/zinc/11/14/00/1052111400.db2.gz MZUGWQYERDMCGD-HXUWFJFHSA-N 1 0 394.544 3.916 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]CCCCc2nc(-c3ccccn3)cs2)cc1 ZINC001336051207 1052220367 /nfs/dbraw/zinc/22/03/67/1052220367.db2.gz OFQSUFKWMYLLBM-FQEVSTJZSA-N 1 0 378.501 3.723 20 30 GHEDRO C#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC001311582193 1052262621 /nfs/dbraw/zinc/26/26/21/1052262621.db2.gz XHIOJOMONYAGPJ-OAQYLSRUSA-N 1 0 381.907 3.958 20 30 GHEDRO N#CCC[C@H](NC(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC001336863111 1052353767 /nfs/dbraw/zinc/35/37/67/1052353767.db2.gz JXDAMFSSVPLKDA-JTAQYXEDSA-N 1 0 390.487 3.587 20 30 GHEDRO C[C@@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC001311727994 1052359869 /nfs/dbraw/zinc/35/98/69/1052359869.db2.gz QJJSOFPZUVZMSU-GOSISDBHSA-N 1 0 376.504 3.582 20 30 GHEDRO C=CCC1(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC001336955613 1052368716 /nfs/dbraw/zinc/36/87/16/1052368716.db2.gz MUXIMIVPICRLGX-FSSWDIPSSA-N 1 0 382.548 3.776 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001312616284 1052813220 /nfs/dbraw/zinc/81/32/20/1052813220.db2.gz MGQJLTGUYOORDJ-KWJLTHHISA-N 1 0 377.573 3.510 20 30 GHEDRO C#Cc1ccc(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001312728949 1052850435 /nfs/dbraw/zinc/85/04/35/1052850435.db2.gz LYGFXTWIJBVMPJ-QHCPKHFHSA-N 1 0 387.527 3.769 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313135318 1052965656 /nfs/dbraw/zinc/96/56/56/1052965656.db2.gz CGMCMDXVWPVKBJ-NFBKMPQASA-N 1 0 375.516 3.600 20 30 GHEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C(C)C)C1CCCC1 ZINC001313588985 1053118579 /nfs/dbraw/zinc/11/85/79/1053118579.db2.gz APUOAVFZTXWUIH-UHFFFAOYSA-N 1 0 380.540 3.926 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC001342416722 1053158575 /nfs/dbraw/zinc/15/85/75/1053158575.db2.gz VCZXHKYWXLUBBT-DYESRHJHSA-N 1 0 395.551 3.869 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001342454991 1053179346 /nfs/dbraw/zinc/17/93/46/1053179346.db2.gz LZOABSJODQGYRN-ZJOUEHCJSA-N 1 0 399.583 3.797 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001313714910 1053186934 /nfs/dbraw/zinc/18/69/34/1053186934.db2.gz WHRCEQPEEBHRJL-TZIWHRDSSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2CC)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001342510012 1053207688 /nfs/dbraw/zinc/20/76/88/1053207688.db2.gz GKDWZLZMQACRTQ-MRXNPFEDSA-N 1 0 388.585 3.708 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC2(C)CC2)C[C@@H]1C ZINC001313867093 1053262487 /nfs/dbraw/zinc/26/24/87/1053262487.db2.gz LDIFOFAHJCHBHO-ROUUACIJSA-N 1 0 392.551 3.926 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)[C@H](C)O)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001343072392 1053533338 /nfs/dbraw/zinc/53/33/38/1053533338.db2.gz QNOMAVGQXCLZIE-OALUTQOASA-N 1 0 389.588 3.573 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001343494908 1053810936 /nfs/dbraw/zinc/81/09/36/1053810936.db2.gz KESIEJABBONFCL-IRXDYDNUSA-N 1 0 381.515 3.925 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nnc1C(C)(C)CC#N ZINC001343682359 1053970289 /nfs/dbraw/zinc/97/02/89/1053970289.db2.gz YLATZEGIJKNSIV-FQEVSTJZSA-N 1 0 398.599 3.994 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Oc2ccccc2)CC1)C(C)C ZINC001317977835 1054336102 /nfs/dbraw/zinc/33/61/02/1054336102.db2.gz LIRNQJCOEWXMBJ-JOCHJYFZSA-N 1 0 385.552 3.938 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1=S ZINC001318094071 1054403616 /nfs/dbraw/zinc/40/36/16/1054403616.db2.gz AZBRESMJECDNRQ-MRXNPFEDSA-N 1 0 387.528 3.534 20 30 GHEDRO CC(C)Cn1c(N2CCC[N@H+](Cc3ccccc3)CC2)nnc1C(C)(C)CC#N ZINC001344927099 1054807474 /nfs/dbraw/zinc/80/74/74/1054807474.db2.gz URBIZKINWYWQQL-UHFFFAOYSA-N 1 0 394.567 3.838 20 30 GHEDRO O=C(CC#Cc1ccccc1)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001319520717 1055304906 /nfs/dbraw/zinc/30/49/06/1055304906.db2.gz PAWMPYJMCJTKAK-QFIPXVFZSA-N 1 0 384.483 3.710 20 30 GHEDRO C=CCO[C@H]1CC[N@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC001320159054 1055681701 /nfs/dbraw/zinc/68/17/01/1055681701.db2.gz CWMBZHGKRNUKDX-QFIPXVFZSA-N 1 0 378.516 3.602 20 30 GHEDRO C#CCN(C)c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300471608 1056212609 /nfs/dbraw/zinc/21/26/09/1056212609.db2.gz ILLNMLPEDQNSDE-QFIPXVFZSA-N 1 0 393.579 3.787 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)C)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001300554927 1056457454 /nfs/dbraw/zinc/45/74/54/1056457454.db2.gz MWNWBROTXNZKHT-QFIPXVFZSA-N 1 0 389.547 3.702 20 30 GHEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001354347814 1056549970 /nfs/dbraw/zinc/54/99/70/1056549970.db2.gz UMRNQMKUKLIFEA-OIBXWCBGSA-N 1 0 399.579 3.926 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300616570 1056672207 /nfs/dbraw/zinc/67/22/07/1056672207.db2.gz JWBDLIBIZNZUMY-QGZVFWFLSA-N 1 0 385.943 3.790 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(CCCC#N)n2CCc2ccccc2)CC1 ZINC001354547380 1056764542 /nfs/dbraw/zinc/76/45/42/1056764542.db2.gz FACZONZOESEUDU-UHFFFAOYSA-N 1 0 394.567 3.678 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001322740680 1056829606 /nfs/dbraw/zinc/82/96/06/1056829606.db2.gz PKKBFQYFEYXPEE-UHFFFAOYSA-N 1 0 393.531 3.977 20 30 GHEDRO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2c(Br)cccc2C#N)C1 ZINC001472843051 1056942103 /nfs/dbraw/zinc/94/21/03/1056942103.db2.gz NBPFPRQBOWZADN-GOSISDBHSA-N 1 0 399.336 3.549 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCOc2ccc(C(F)(F)F)cc2)c1 ZINC001325840839 1057372115 /nfs/dbraw/zinc/37/21/15/1057372115.db2.gz OXISIVZMBSSPBL-UHFFFAOYSA-N 1 0 377.366 3.574 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3cnn(C(C)C)c32)c(OC)c1 ZINC001325878469 1057379366 /nfs/dbraw/zinc/37/93/66/1057379366.db2.gz KHFZKEGSNCGAFE-WOJBJXKFSA-N 1 0 399.535 3.608 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001325888161 1057380780 /nfs/dbraw/zinc/38/07/80/1057380780.db2.gz BVZQFZVNQCXNQM-PMACEKPBSA-N 1 0 379.464 3.740 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000848994984 1057499824 /nfs/dbraw/zinc/49/98/24/1057499824.db2.gz WKNJWJQGHRYISK-OAHLLOKOSA-N 1 0 386.496 3.731 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001356498358 1057528795 /nfs/dbraw/zinc/52/87/95/1057528795.db2.gz IIMVDFHROSZFPW-KRWDZBQOSA-N 1 0 379.618 3.705 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SCC)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001356509915 1057533082 /nfs/dbraw/zinc/53/30/82/1057533082.db2.gz AHVAZLINMBIGML-VJANTYMQSA-N 1 0 391.629 3.705 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001326798646 1057559828 /nfs/dbraw/zinc/55/98/28/1057559828.db2.gz UOABQIONAMFJNK-HNNXBMFYSA-N 1 0 394.313 3.716 20 30 GHEDRO CCCC[NH+]=C(NCc1nccn1CC(F)(F)F)NCc1ccc(C)cc1 ZINC000849074358 1057582249 /nfs/dbraw/zinc/58/22/49/1057582249.db2.gz KWMPBAQFBSDIPK-UHFFFAOYSA-N 1 0 381.446 3.789 20 30 GHEDRO C=C[C@H](COC)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC001338111225 1058410937 /nfs/dbraw/zinc/41/09/37/1058410937.db2.gz BDRLXLXJTQUFKP-SJLPKXTDSA-N 1 0 380.554 3.539 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC001440091676 1058419162 /nfs/dbraw/zinc/41/91/62/1058419162.db2.gz YNUYZUUWFIGQKT-UHFFFAOYSA-N 1 0 380.492 3.597 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2CCC[N@@H+]2C2CCOCC2)n1C ZINC001338686896 1058732045 /nfs/dbraw/zinc/73/20/45/1058732045.db2.gz PHMOEJDLEBVYGQ-OAQYLSRUSA-N 1 0 395.551 3.714 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC(COC)CC1 ZINC001338694267 1058734258 /nfs/dbraw/zinc/73/42/58/1058734258.db2.gz VEZANPVZNFCINE-HXUWFJFHSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(-c2ccc(C)c3cccnc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001338867518 1058842454 /nfs/dbraw/zinc/84/24/54/1058842454.db2.gz MBJITRFMEFIAFN-UHFFFAOYSA-N 1 0 390.535 3.955 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001338893334 1058863666 /nfs/dbraw/zinc/86/36/66/1058863666.db2.gz XGIFIXNMRVCYPV-UHFFFAOYSA-N 1 0 392.960 3.696 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001339139867 1058978338 /nfs/dbraw/zinc/97/83/38/1058978338.db2.gz MGHSMJSYCIRAEG-MJGOQNOKSA-N 1 0 375.561 3.510 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001339139865 1058978396 /nfs/dbraw/zinc/97/83/96/1058978396.db2.gz MGHSMJSYCIRAEG-IEBWSBKVSA-N 1 0 375.561 3.510 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc(-c2ccccc2)nc1C)C(C)C ZINC001443425831 1059126676 /nfs/dbraw/zinc/12/66/76/1059126676.db2.gz JXNFNYRJMCRIEJ-NRFANRHFSA-N 1 0 378.520 3.880 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C(F)(F)F)nc2ccccn21)C(C)C ZINC001443424201 1059126822 /nfs/dbraw/zinc/12/68/22/1059126822.db2.gz GMEJMGOYTCDPJP-OAHLLOKOSA-N 1 0 394.441 3.782 20 30 GHEDRO CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@H](CC#N)C1 ZINC001339593012 1059330505 /nfs/dbraw/zinc/33/05/05/1059330505.db2.gz NRXWBNJWTPWJOI-NHCUHLMSSA-N 1 0 392.551 3.808 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](CC)c2sc(SCC)nc2C)CC1 ZINC001444691079 1059364049 /nfs/dbraw/zinc/36/40/49/1059364049.db2.gz URANLBUDONPZJP-MRXNPFEDSA-N 1 0 379.595 3.661 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001340372131 1059895718 /nfs/dbraw/zinc/89/57/18/1059895718.db2.gz HXEDLRAEYGDSJK-UHFFFAOYSA-N 1 0 384.528 3.581 20 30 GHEDRO C=CCn1c([C@H](O)/C=C\CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001340517610 1059959921 /nfs/dbraw/zinc/95/99/21/1059959921.db2.gz XLJUJOQYODQBOA-KOTDBNOLSA-N 1 0 387.572 3.699 20 30 GHEDRO C=CCn1c(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C#N ZINC001340593574 1059989005 /nfs/dbraw/zinc/98/90/05/1059989005.db2.gz KALFDZWZYYXZMA-SFHVURJKSA-N 1 0 384.572 3.746 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC001450484779 1060601177 /nfs/dbraw/zinc/60/11/77/1060601177.db2.gz ICJVRILSKIGZEA-UHFFFAOYSA-N 1 0 377.463 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001341781288 1060889680 /nfs/dbraw/zinc/88/96/80/1060889680.db2.gz NNZJKKRTRWXXDM-ZVDOUQERSA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCn1c([C@@H](CC)[C@H](C)O)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001341996575 1060987187 /nfs/dbraw/zinc/98/71/87/1060987187.db2.gz AXYBTCCSLCIZFB-OALUTQOASA-N 1 0 389.588 3.573 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001342007022 1060992889 /nfs/dbraw/zinc/99/28/89/1060992889.db2.gz QIGIRTOSASUTBF-ULQDDVLXSA-N 1 0 398.580 3.632 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[N@@H+](C)CCC)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001342190163 1061118686 /nfs/dbraw/zinc/11/86/86/1061118686.db2.gz VHCBVYLMGNRJCO-CVDCTZTESA-N 1 0 396.583 3.748 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(C3CCN(CCC#N)CC3)n2Cc2cccs2)C1 ZINC001345970969 1061252024 /nfs/dbraw/zinc/25/20/24/1061252024.db2.gz YQXGYLXLNBFHHI-QGZVFWFLSA-N 1 0 398.580 3.717 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)CC#N)n2CC2CC2)C1 ZINC001346033506 1061307718 /nfs/dbraw/zinc/30/77/18/1061307718.db2.gz ITKLVASAVFJQMO-HXUWFJFHSA-N 1 0 392.551 3.590 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001346162522 1061418640 /nfs/dbraw/zinc/41/86/40/1061418640.db2.gz BWVIBOCEKBRVLH-RBUKOAKNSA-N 1 0 397.567 3.743 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001346461371 1061578405 /nfs/dbraw/zinc/57/84/05/1061578405.db2.gz LHYIRCKERVBOHJ-CQSZACIVSA-N 1 0 392.960 3.696 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361169567 1061681489 /nfs/dbraw/zinc/68/14/89/1061681489.db2.gz HFZMWFIBUNJCBD-MJGOQNOKSA-N 1 0 398.555 3.953 20 30 GHEDRO C[C@]12CN(C(=O)c3ncc(C#N)cc3Cl)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001454406579 1061764454 /nfs/dbraw/zinc/76/44/54/1061764454.db2.gz RRAUBFSXAITZCN-VXKWHMMOSA-N 1 0 394.906 3.591 20 30 GHEDRO N#CC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC001434920937 1062112582 /nfs/dbraw/zinc/11/25/82/1062112582.db2.gz GOZWMDZMHKQVJH-OAQYLSRUSA-N 1 0 379.529 3.914 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001435421197 1062593320 /nfs/dbraw/zinc/59/33/20/1062593320.db2.gz CDALUQYMLVEKSM-CVDCTZTESA-N 1 0 393.531 3.988 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC001348029702 1062863403 /nfs/dbraw/zinc/86/34/03/1062863403.db2.gz SRCVUEFZTUAZLC-TZBSWOFLSA-N 1 0 396.494 3.743 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001457056321 1062962857 /nfs/dbraw/zinc/96/28/57/1062962857.db2.gz BFYSXHAOJVIBNI-XPWALMASSA-N 1 0 391.515 3.697 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC001435996127 1063074780 /nfs/dbraw/zinc/07/47/80/1063074780.db2.gz ZIZDIWXNBVCGHA-AVRDEDQJSA-N 1 0 379.504 3.598 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001436279423 1063354923 /nfs/dbraw/zinc/35/49/23/1063354923.db2.gz LXKBYAJIDMHDTE-GOSISDBHSA-N 1 0 375.516 3.698 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCc3ccc(CC#N)cc3)cc2)CC1 ZINC001458307577 1063735693 /nfs/dbraw/zinc/73/56/93/1063735693.db2.gz WCCHSMSLSCSECR-UHFFFAOYSA-N 1 0 377.488 3.640 20 30 GHEDRO C=CC[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC001437386496 1063842078 /nfs/dbraw/zinc/84/20/78/1063842078.db2.gz XREZJZHTYJJZRM-KMDXXIMOSA-N 1 0 390.527 3.848 20 30 GHEDRO CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC001350055927 1063974798 /nfs/dbraw/zinc/97/47/98/1063974798.db2.gz CORKTMQCAXCFAV-UXHICEINSA-N 1 0 389.503 3.598 20 30 GHEDRO CC[C@H](C)[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCc1ccccc1F ZINC001459389802 1064082789 /nfs/dbraw/zinc/08/27/89/1064082789.db2.gz QZNYQQRYNCYJPP-SFHVURJKSA-N 1 0 392.474 3.768 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001351430040 1064444305 /nfs/dbraw/zinc/44/43/05/1064444305.db2.gz NJOVTRSEIMOHIG-UHFFFAOYSA-N 1 0 381.615 3.643 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001463657875 1064533070 /nfs/dbraw/zinc/53/30/70/1064533070.db2.gz VMNBNNGPCYNHGC-UPVQGACJSA-N 1 0 390.527 3.901 20 30 GHEDRO C=CCn1c(Cc2csc(C)c2)nnc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001351889405 1064664720 /nfs/dbraw/zinc/66/47/20/1064664720.db2.gz WAUFHJGISRHWQC-UHFFFAOYSA-N 1 0 397.552 3.632 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=O)NC2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000847102072 1064707550 /nfs/dbraw/zinc/70/75/50/1064707550.db2.gz CHVXFPJUYVDOAS-UHFFFAOYSA-N 1 0 389.503 3.511 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001465527593 1065689620 /nfs/dbraw/zinc/68/96/20/1065689620.db2.gz XDTXVHYITGYGMT-AWEZNQCLSA-N 1 0 378.423 3.688 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC001465779743 1065849920 /nfs/dbraw/zinc/84/99/20/1065849920.db2.gz RSUULNMCLBNUSO-KKSFZXQISA-N 1 0 383.467 3.959 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300281373 1065917603 /nfs/dbraw/zinc/91/76/03/1065917603.db2.gz CEAVAHNQABHXGI-YLJYHZDGSA-N 1 0 395.551 3.532 20 30 GHEDRO CC(C)Cn1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000847747668 1066021598 /nfs/dbraw/zinc/02/15/98/1066021598.db2.gz MNPSMJBHJOVDHM-UHFFFAOYSA-N 1 0 380.492 3.502 20 30 GHEDRO N#CC1(COC(=O)c2ccc(C(F)F)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847746958 1066025076 /nfs/dbraw/zinc/02/50/76/1066025076.db2.gz TTZZLXJWJSRXJT-UHFFFAOYSA-N 1 0 385.414 3.982 20 30 GHEDRO N#CC1(COC(=O)c2c[nH]c(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000847746784 1066027175 /nfs/dbraw/zinc/02/71/75/1066027175.db2.gz QQFPHXAUZGXEMT-UHFFFAOYSA-N 1 0 391.393 3.996 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(Br)ncc1C)C(C)C ZINC001466293626 1066077222 /nfs/dbraw/zinc/07/72/22/1066077222.db2.gz NKXSWEAESFQZPX-MRXNPFEDSA-N 1 0 395.345 3.973 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC001466343157 1066103136 /nfs/dbraw/zinc/10/31/36/1066103136.db2.gz KXZTUCVMZGSVQV-STQMWFEESA-N 1 0 384.402 3.699 20 30 GHEDRO N#Cc1ccc(F)c(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001466789791 1066315550 /nfs/dbraw/zinc/31/55/50/1066315550.db2.gz QHGXZZKFYDYURA-MOPGFXCFSA-N 1 0 378.451 3.683 20 30 GHEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC001357314011 1067042819 /nfs/dbraw/zinc/04/28/19/1067042819.db2.gz KYKPXTSITYVBEH-QGZVFWFLSA-N 1 0 391.924 3.954 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)cc21 ZINC001467380573 1067265327 /nfs/dbraw/zinc/26/53/27/1067265327.db2.gz OUNJTZQKHCWPFP-UHFFFAOYSA-N 1 0 395.482 3.957 20 30 GHEDRO C#C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1ccc(Cl)cc1F ZINC001467734567 1067442972 /nfs/dbraw/zinc/44/29/72/1067442972.db2.gz MDNHZMKOARIDND-IBGZPJMESA-N 1 0 379.907 3.965 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001473548298 1067566111 /nfs/dbraw/zinc/56/61/11/1067566111.db2.gz VYXIPICJIOYDNI-CAZKKTPXSA-N 1 0 396.579 3.512 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC[N@H+]1CC=CCC1 ZINC001358874425 1067589785 /nfs/dbraw/zinc/58/97/85/1067589785.db2.gz XFBCALPLWUNDJO-TZIWHRDSSA-N 1 0 377.536 3.540 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001358874472 1067590090 /nfs/dbraw/zinc/59/00/90/1067590090.db2.gz XPZABDJYFSGTBS-WAOWUJCRSA-N 1 0 379.552 3.761 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001358896181 1067602437 /nfs/dbraw/zinc/60/24/37/1067602437.db2.gz ZAWDJRQHYVOPEV-UNMCSNQZSA-N 1 0 393.579 3.786 20 30 GHEDRO C#CCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001358929604 1067617586 /nfs/dbraw/zinc/61/75/86/1067617586.db2.gz DPSYZCWOMWRQTB-AZUAARDMSA-N 1 0 383.584 3.733 20 30 GHEDRO C#CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001358932679 1067618821 /nfs/dbraw/zinc/61/88/21/1067618821.db2.gz SMGLOQVEYVKAIZ-FQEVSTJZSA-N 1 0 397.592 3.656 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001358944892 1067625260 /nfs/dbraw/zinc/62/52/60/1067625260.db2.gz LWTJACOURDMTBM-SFHVURJKSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(CC#C)c1nnc(C2CCC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358977638 1067633858 /nfs/dbraw/zinc/63/38/58/1067633858.db2.gz RJGAZTQOWSZTGL-IBGZPJMESA-N 1 0 393.560 3.517 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001359108224 1067687644 /nfs/dbraw/zinc/68/76/44/1067687644.db2.gz GCDLJBZLLIDRRT-HXUWFJFHSA-N 1 0 383.540 3.696 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359129681 1067700225 /nfs/dbraw/zinc/70/02/25/1067700225.db2.gz JLLNXOXNBFYRHB-UHFFFAOYSA-N 1 0 397.567 3.848 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001359145549 1067708179 /nfs/dbraw/zinc/70/81/79/1067708179.db2.gz TVKSJFWGSVCSKG-VQIMIIECSA-N 1 0 385.943 3.933 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001468375925 1067709200 /nfs/dbraw/zinc/70/92/00/1067709200.db2.gz RWAOGAIPIQNAGU-OAHLLOKOSA-N 1 0 388.737 3.931 20 30 GHEDRO C=C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001359167615 1067722167 /nfs/dbraw/zinc/72/21/67/1067722167.db2.gz NBQBJLIIIWXDKE-UHFFFAOYSA-N 1 0 381.568 3.808 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359176970 1067736078 /nfs/dbraw/zinc/73/60/78/1067736078.db2.gz VPFAINMAUSOICK-RBUKOAKNSA-N 1 0 396.583 3.806 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001359179952 1067740878 /nfs/dbraw/zinc/74/08/78/1067740878.db2.gz MBUAQQOYUGEGOE-NRFANRHFSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001359236974 1067843029 /nfs/dbraw/zinc/84/30/29/1067843029.db2.gz GRLOFCOBLGODIR-HXUWFJFHSA-N 1 0 376.508 3.733 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCOC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359239866 1067848181 /nfs/dbraw/zinc/84/81/81/1067848181.db2.gz ZFVVFSODKIKHNN-ICSRJNTNSA-N 1 0 397.567 3.924 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC001359248797 1067893531 /nfs/dbraw/zinc/89/35/31/1067893531.db2.gz BYXGWXIFBWXEBN-SFHVURJKSA-N 1 0 380.540 3.617 20 30 GHEDRO C#Cc1cccc(N(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C(C)C)c1 ZINC000849543920 1067903120 /nfs/dbraw/zinc/90/31/20/1067903120.db2.gz GWBRCVFURCMTMX-DHIUTWEWSA-N 1 0 392.547 3.657 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC=CCC1)C(C)C ZINC001359265611 1067928910 /nfs/dbraw/zinc/92/89/10/1067928910.db2.gz JBDDPSLEMUXMBS-SFTDATJTSA-N 1 0 399.583 3.637 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(CC)nnc1N1CCSC(C)(C)C1)C(C)C ZINC001359265935 1067928920 /nfs/dbraw/zinc/92/89/20/1067928920.db2.gz PEJQQAJLEHKJSE-SFHVURJKSA-N 1 0 391.629 3.871 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001468956713 1067937663 /nfs/dbraw/zinc/93/76/63/1067937663.db2.gz ZHCBZLHJSMQLGG-VJBWXMMDSA-N 1 0 388.515 3.658 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC[NH+]1CCCC1 ZINC001359273088 1067940964 /nfs/dbraw/zinc/94/09/64/1067940964.db2.gz ONIDFAZWRHKPAD-UHFFFAOYSA-N 1 0 385.943 3.797 20 30 GHEDRO Cc1ccc(CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001469255043 1068065770 /nfs/dbraw/zinc/06/57/70/1068065770.db2.gz OJHLDIVFKMXHBN-OALUTQOASA-N 1 0 390.531 3.823 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC[NH+]1CCCCC1 ZINC001359476920 1068071138 /nfs/dbraw/zinc/07/11/38/1068071138.db2.gz NUCLFMNWGYJXGG-FQEVSTJZSA-N 1 0 394.567 3.535 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C3CC3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001360138969 1068382075 /nfs/dbraw/zinc/38/20/75/1068382075.db2.gz MJQRKIBEBUAXRS-FQEVSTJZSA-N 1 0 392.551 3.784 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360148319 1068387044 /nfs/dbraw/zinc/38/70/44/1068387044.db2.gz VCXKJKXYCJFHKO-SFHVURJKSA-N 1 0 385.577 3.605 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CC#N)C(C)C ZINC001360471868 1068520340 /nfs/dbraw/zinc/52/03/40/1068520340.db2.gz QJVPUCBUICLWTA-SFHVURJKSA-N 1 0 383.544 3.587 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC[N@H+](C)C1CCCC1 ZINC001360472031 1068521001 /nfs/dbraw/zinc/52/10/01/1068521001.db2.gz UHZQQQFJWAOZMV-INIZCTEOSA-N 1 0 384.503 3.697 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001360480778 1068526854 /nfs/dbraw/zinc/52/68/54/1068526854.db2.gz GUDZIXMOQOAUDM-YLJYHZDGSA-N 1 0 384.572 3.766 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N(CCC#N)CC1CC1)[N@H+](C)C1CC1 ZINC001360545261 1068551547 /nfs/dbraw/zinc/55/15/47/1068551547.db2.gz YMWLIIZVVSPGJF-INIZCTEOSA-N 1 0 396.514 3.697 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001360682482 1068598413 /nfs/dbraw/zinc/59/84/13/1068598413.db2.gz UOJKDRNYJLNKGI-GOSISDBHSA-N 1 0 398.304 3.715 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001478173550 1078751712 /nfs/dbraw/zinc/75/17/12/1078751712.db2.gz GMLSYLRNRWZSMX-WIYYLYMNSA-N 1 0 379.504 3.714 20 30 GHEDRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001460135854 1068803377 /nfs/dbraw/zinc/80/33/77/1068803377.db2.gz AHRQEWAEPKFTLE-MRXNPFEDSA-N 1 0 382.895 3.751 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001460223049 1068869780 /nfs/dbraw/zinc/86/97/80/1068869780.db2.gz LODSSSAQNKBHAN-PBEJRMEISA-N 1 0 392.503 3.691 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001478497000 1078893956 /nfs/dbraw/zinc/89/39/56/1078893956.db2.gz UDYYLNPVDWUIGS-HSZRJFAPSA-N 1 0 393.531 3.654 20 30 GHEDRO C[C@H]1CCC[C@H](C2CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C2)C1 ZINC001470672543 1072681104 /nfs/dbraw/zinc/68/11/04/1072681104.db2.gz VAWGKCSCGKPPCW-RXVVDRJESA-N 1 0 394.563 3.990 20 30 GHEDRO N#CC1(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCCCC1 ZINC001470830451 1072760061 /nfs/dbraw/zinc/76/00/61/1072760061.db2.gz XRDBZFAOVDSUHZ-RTWAWAEBSA-N 1 0 380.536 3.624 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)Cc1cc(C#N)cs1 ZINC001471043211 1072900561 /nfs/dbraw/zinc/90/05/61/1072900561.db2.gz NPTPFPFSNHQDNQ-LPHOPBHVSA-N 1 0 382.533 3.529 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001546184170 1072912907 /nfs/dbraw/zinc/91/29/07/1072912907.db2.gz XBJLLIGJYWLDEP-QGZVFWFLSA-N 1 0 380.540 3.588 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC(C)(C)c3cccc(C#N)c3)C2)cc1 ZINC001471141231 1072938744 /nfs/dbraw/zinc/93/87/44/1072938744.db2.gz LEGFXUKVQOWKDL-NRFANRHFSA-N 1 0 376.504 3.676 20 30 GHEDRO C#CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)C1CCCCC1 ZINC001478837960 1078999583 /nfs/dbraw/zinc/99/95/83/1078999583.db2.gz FMJBYCRPZVJHKO-FYYLOGMGSA-N 1 0 397.563 3.501 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001478893378 1079017318 /nfs/dbraw/zinc/01/73/18/1079017318.db2.gz GVHXCGGNGQRXBU-HXUWFJFHSA-N 1 0 389.421 3.552 20 30 GHEDRO C[N@@H+]1C[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H](c2ccccc2)C1 ZINC001471496849 1073104178 /nfs/dbraw/zinc/10/41/78/1073104178.db2.gz YBSUIEVUNNOTGH-GGAORHGYSA-N 1 0 388.515 3.578 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001471556366 1073132859 /nfs/dbraw/zinc/13/28/59/1073132859.db2.gz GEPZIQVIRMOAOI-RTWAWAEBSA-N 1 0 386.540 3.881 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](CC[NH+](C)C)C2)s1 ZINC001471790819 1073219427 /nfs/dbraw/zinc/21/94/27/1073219427.db2.gz BKYBPTIBVPAODL-CQSZACIVSA-N 1 0 388.002 3.639 20 30 GHEDRO C=CCc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc(OC)c1OC ZINC001472327719 1073425482 /nfs/dbraw/zinc/42/54/82/1073425482.db2.gz ISRLTCKAIMLTFU-WOJBJXKFSA-N 1 0 386.536 3.767 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC001472666552 1073605068 /nfs/dbraw/zinc/60/50/68/1073605068.db2.gz BATBTSJXPFZRED-JHJVBQTASA-N 1 0 376.426 3.724 20 30 GHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNc3ncc(C#N)cc3F)cc2)C[C@H]1C ZINC001472745860 1073647251 /nfs/dbraw/zinc/64/72/51/1073647251.db2.gz BUTTUAKCMGMIHF-CALCHBBNSA-N 1 0 382.483 3.714 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCSC[C@H](C)C3)sc2C1 ZINC001473446819 1073967343 /nfs/dbraw/zinc/96/73/43/1073967343.db2.gz UOCGTVYDFNEHHU-UONOGXRCSA-N 1 0 377.579 3.758 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001473461859 1073976473 /nfs/dbraw/zinc/97/64/73/1073976473.db2.gz ADLCZNYBWUUAEG-QHCPKHFHSA-N 1 0 394.950 3.604 20 30 GHEDRO OCC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001473492390 1073988128 /nfs/dbraw/zinc/98/81/28/1073988128.db2.gz XXTIOCXWQYMOOU-GFCCVEGCSA-N 1 0 395.290 3.933 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccccc2F)c1 ZINC001473581064 1074029006 /nfs/dbraw/zinc/02/90/06/1074029006.db2.gz GWTCNOWGKOSQGN-QHCPKHFHSA-N 1 0 393.462 3.552 20 30 GHEDRO CCOC(=O)c1sc(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)nc1C ZINC001473740527 1074118152 /nfs/dbraw/zinc/11/81/52/1074118152.db2.gz BEXFJZLRRGMQKK-UHFFFAOYSA-N 1 0 399.516 3.758 20 30 GHEDRO C#CCOCC[N@H+]1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001473779804 1074138342 /nfs/dbraw/zinc/13/83/42/1074138342.db2.gz QRXRKVZNSTYDNK-UYAOXDASSA-N 1 0 378.557 3.822 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+]CC2(C3(O)CCC3)CCC2)c1 ZINC001473786651 1074142260 /nfs/dbraw/zinc/14/22/60/1074142260.db2.gz GHQPJLHNPAOOSJ-LJQANCHMSA-N 1 0 383.536 3.614 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC001473824795 1074161728 /nfs/dbraw/zinc/16/17/28/1074161728.db2.gz SMPDIHTZYZNWIL-KBPBESRZSA-N 1 0 388.924 3.868 20 30 GHEDRO Cc1c(NC(=O)CC[NH+]2CCC(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC001473838217 1074166905 /nfs/dbraw/zinc/16/69/05/1074166905.db2.gz FBXNEKXYIMMHAX-UHFFFAOYSA-N 1 0 392.459 3.983 20 30 GHEDRO N#Cc1ccc(NCC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)nc1 ZINC001473925275 1074205408 /nfs/dbraw/zinc/20/54/08/1074205408.db2.gz IIHNBSSZCZDYBF-UHFFFAOYSA-N 1 0 388.244 3.538 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001474150299 1074278176 /nfs/dbraw/zinc/27/81/76/1074278176.db2.gz GNGHQPVEUDYVKQ-RTWAWAEBSA-N 1 0 390.443 3.881 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCc2cccc3c2OC(F)(F)O3)cc1OC ZINC001474214932 1074296422 /nfs/dbraw/zinc/29/64/22/1074296422.db2.gz RHOZLFGJZMTXMR-UHFFFAOYSA-N 1 0 377.387 3.914 20 30 GHEDRO Cc1ccc(CN2CC[C@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001474242377 1074306761 /nfs/dbraw/zinc/30/67/61/1074306761.db2.gz HWJCEGKDEXRREF-VWLOTQADSA-N 1 0 388.559 3.695 20 30 GHEDRO Fc1cc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1OCC(F)(F)F ZINC001474264878 1074316584 /nfs/dbraw/zinc/31/65/84/1074316584.db2.gz GJVJTNBMMMSRLB-MFKMUULPSA-N 1 0 375.284 3.966 20 30 GHEDRO Clc1cccc(N2CC[NH+](C3CCN(CC#Cc4ccccc4)CC3)CC2)c1 ZINC001474566155 1074465619 /nfs/dbraw/zinc/46/56/19/1074465619.db2.gz NVAXSEAFDTULOU-UHFFFAOYSA-N 1 0 393.962 3.978 20 30 GHEDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001474933874 1074638709 /nfs/dbraw/zinc/63/87/09/1074638709.db2.gz RMMQCEWSBJXCJJ-UHFFFAOYSA-N 1 0 393.578 3.872 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001493845305 1079303060 /nfs/dbraw/zinc/30/30/60/1079303060.db2.gz KRFHKHPGAFBTRA-HOTGVXAUSA-N 1 0 386.931 3.821 20 30 GHEDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC001475001540 1074678892 /nfs/dbraw/zinc/67/88/92/1074678892.db2.gz YTBOQGLWPIRWEA-UHFFFAOYSA-N 1 0 397.972 3.539 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001493909657 1079307403 /nfs/dbraw/zinc/30/74/03/1079307403.db2.gz QXTZBVZFMCFHGF-RBUKOAKNSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001493919680 1079308484 /nfs/dbraw/zinc/30/84/84/1079308484.db2.gz DCIILLDMOMAJET-OALUTQOASA-N 1 0 392.551 3.785 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC001476161563 1075097828 /nfs/dbraw/zinc/09/78/28/1075097828.db2.gz DPQDBVNCWBLRDL-UHFFFAOYSA-N 1 0 380.423 3.711 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001476200356 1075102560 /nfs/dbraw/zinc/10/25/60/1075102560.db2.gz KBUTXZFUJUVSCJ-SJORKVTESA-N 1 0 393.491 3.987 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001496144101 1079458006 /nfs/dbraw/zinc/45/80/06/1079458006.db2.gz UVDWAUSHBVMAIW-GOSISDBHSA-N 1 0 380.540 3.805 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000737491785 600567090 /nfs/dbraw/zinc/56/70/90/600567090.db2.gz JNEDFECBLFZVDU-QFIPXVFZSA-N 1 0 377.488 3.528 20 30 GHEDRO CC1CC[NH+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)CC1 ZINC000736798000 600592187 /nfs/dbraw/zinc/59/21/87/600592187.db2.gz PMANPHCYRAUWGM-JOCHJYFZSA-N 1 0 377.488 3.706 20 30 GHEDRO C[C@@H]1C[C@@H](CC[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000833598546 605165933 /nfs/dbraw/zinc/16/59/33/605165933.db2.gz YHADPVRLWWEXOD-ZNLUXHQJSA-N 1 0 377.488 3.574 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821109184 606482989 /nfs/dbraw/zinc/48/29/89/606482989.db2.gz BHVRXHUJGTYBMI-UHFFFAOYSA-N 1 0 398.417 3.752 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164627022 719043885 /nfs/dbraw/zinc/04/38/85/719043885.db2.gz UBKFTSKCHURDRN-QFBILLFUSA-N 1 0 388.849 3.735 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621912 719046739 /nfs/dbraw/zinc/04/67/39/719046739.db2.gz KEXJKFOESSLKIB-APWZRJJASA-N 1 0 388.849 3.735 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)cc(C#N)n3)C[C@H]21 ZINC001165023571 721809215 /nfs/dbraw/zinc/80/92/15/721809215.db2.gz HYBDJPZRDJRDQX-CWFSZBLJSA-N 1 0 381.911 3.739 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(C#N)c[nH]c4n3)C[C@@H]21 ZINC001165027117 721815554 /nfs/dbraw/zinc/81/55/54/721815554.db2.gz SJDSMTUJTWLCSA-ORYQWCPZSA-N 1 0 386.503 3.566 20 30 GHEDRO C=CC[NH+]1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC001165032572 721870396 /nfs/dbraw/zinc/87/03/96/721870396.db2.gz ZEEYWDUYYHWIBT-UHFFFAOYSA-N 1 0 377.517 3.550 20 30 GHEDRO N#Cc1cc2c(nc1N1CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C1)CCC2 ZINC001164994058 722208233 /nfs/dbraw/zinc/20/82/33/722208233.db2.gz FAGQGYVYPRHGMM-QHCPKHFHSA-N 1 0 376.479 3.826 20 30 GHEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000376468254 837446275 /nfs/dbraw/zinc/44/62/75/837446275.db2.gz JSCIUURDQYFHSX-PXNSSMCTSA-N 1 0 394.519 3.613 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1ccc(C#N)cc1 ZINC000102981543 837452743 /nfs/dbraw/zinc/45/27/43/837452743.db2.gz OAGDKTVXNJGSRR-FPOVZHCZSA-N 1 0 377.513 3.793 20 30 GHEDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000581111805 837475544 /nfs/dbraw/zinc/47/55/44/837475544.db2.gz LEJJZWKWEATQDT-IHJVYAAUSA-N 1 0 379.508 3.693 20 30 GHEDRO CCOC(=O)COc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000120942831 837498373 /nfs/dbraw/zinc/49/83/73/837498373.db2.gz VNJRVZLNWIVHST-UHFFFAOYSA-N 1 0 394.471 3.544 20 30 GHEDRO CC[C@H](NC(=O)c1cc(C#N)ccc1Cl)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000581623708 837551517 /nfs/dbraw/zinc/55/15/17/837551517.db2.gz YXSWDNKYVAOZGV-LEWJYISDSA-N 1 0 397.906 3.621 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)c2)c1 ZINC000180801908 837563444 /nfs/dbraw/zinc/56/34/44/837563444.db2.gz MPMPTPIYGQUNEG-QFIPXVFZSA-N 1 0 387.487 3.641 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000613310202 837568632 /nfs/dbraw/zinc/56/86/32/837568632.db2.gz XQUCDFRLBUIIRI-JOCHJYFZSA-N 1 0 380.532 3.887 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(CCC#N)n1)c1ccccc1Cl ZINC000173355597 837695536 /nfs/dbraw/zinc/69/55/36/837695536.db2.gz OKYAZFFSAOIOTA-QGZVFWFLSA-N 1 0 388.903 3.655 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000180941873 837716890 /nfs/dbraw/zinc/71/68/90/837716890.db2.gz OYGASDJMLAKIQM-ZDUSSCGKSA-N 1 0 377.366 3.789 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC(F)F)cc1 ZINC000176714361 837721454 /nfs/dbraw/zinc/72/14/54/837721454.db2.gz MRTQEWNVDKXYCR-NHYWBVRUSA-N 1 0 377.416 3.677 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000176717916 837722582 /nfs/dbraw/zinc/72/25/82/837722582.db2.gz ILWGVAFDSUWGGD-HSZRJFAPSA-N 1 0 391.515 3.794 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000581877772 837739972 /nfs/dbraw/zinc/73/99/72/837739972.db2.gz IMRHKZKHNPIYDT-AYHJJNSGSA-N 1 0 380.517 3.615 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000175272536 834491439 /nfs/dbraw/zinc/49/14/39/834491439.db2.gz TWJOGOHICZPQDV-MRXNPFEDSA-N 1 0 377.513 3.924 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(CCC#N)CC1 ZINC000584409360 834538403 /nfs/dbraw/zinc/53/84/03/834538403.db2.gz NZKJEVYBKUXMPO-UHFFFAOYSA-N 1 0 379.508 3.834 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000458577184 834588559 /nfs/dbraw/zinc/58/85/59/834588559.db2.gz QJXMTJDHDSLZEW-IAGOWNOFSA-N 1 0 394.494 3.653 20 30 GHEDRO CC(C)N1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245859815 834741996 /nfs/dbraw/zinc/74/19/96/834741996.db2.gz NILZSNYONCGRJP-RTBURBONSA-N 1 0 392.906 3.948 20 30 GHEDRO CCCCOc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000430180774 834816329 /nfs/dbraw/zinc/81/63/29/834816329.db2.gz UCRATFQVUCIHHH-IBGZPJMESA-N 1 0 381.476 3.794 20 30 GHEDRO CC[C@@H](CC#N)NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000157349586 834856618 /nfs/dbraw/zinc/85/66/18/834856618.db2.gz FDZIFFNIXNVRMF-KRWDZBQOSA-N 1 0 385.512 3.705 20 30 GHEDRO C=C(C)C(=O)NCCCNc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001167670879 834869930 /nfs/dbraw/zinc/86/99/30/834869930.db2.gz JUIQWDFKKXPLLP-OAQYLSRUSA-N 1 0 380.536 3.660 20 30 GHEDRO CCCc1c(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cnn1-c1cccc(C#N)c1 ZINC000415581517 837818842 /nfs/dbraw/zinc/81/88/42/837818842.db2.gz SQXZWCQGBBIARJ-QAQDUYKDSA-N 1 0 394.523 3.583 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000246971109 835074319 /nfs/dbraw/zinc/07/43/19/835074319.db2.gz VKFSTFZCUFXQIR-ZIAGYGMSSA-N 1 0 387.471 3.930 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)c1 ZINC000247096699 835114684 /nfs/dbraw/zinc/11/46/84/835114684.db2.gz DYBNHAOGRZAWEM-GHTZIAJQSA-N 1 0 389.540 3.900 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000685533180 835123035 /nfs/dbraw/zinc/12/30/35/835123035.db2.gz CWJYBHDYIOFRQY-UHFFFAOYSA-N 1 0 392.551 3.933 20 30 GHEDRO C=CCn1c(COCC)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000685542181 835141317 /nfs/dbraw/zinc/14/13/17/835141317.db2.gz BFLBSCCLIQMKNK-ICSRJNTNSA-N 1 0 383.540 3.662 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CC1 ZINC000174897187 835152936 /nfs/dbraw/zinc/15/29/36/835152936.db2.gz NOWDCMKXHDBIDC-UHFFFAOYSA-N 1 0 387.915 3.747 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000685549295 835154300 /nfs/dbraw/zinc/15/43/00/835154300.db2.gz APYJQAZIMHVEAI-QEUVDIPISA-N 1 0 395.551 3.661 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000611967385 835183243 /nfs/dbraw/zinc/18/32/43/835183243.db2.gz GCLCVYLNFSYDQE-CQSZACIVSA-N 1 0 394.450 3.553 20 30 GHEDRO C#CCOc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001266289241 835186796 /nfs/dbraw/zinc/18/67/96/835186796.db2.gz HVRWNLYDXYZVJC-FPOVZHCZSA-N 1 0 376.500 3.729 20 30 GHEDRO CC(C)(COCc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000500821563 844041093 /nfs/dbraw/zinc/04/10/93/844041093.db2.gz GHLIVLKXWIEFLH-OAQYLSRUSA-N 1 0 377.488 3.639 20 30 GHEDRO CCN(C(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000022850766 835325616 /nfs/dbraw/zinc/32/56/16/835325616.db2.gz NVDXLZGULURNPA-HXUWFJFHSA-N 1 0 390.531 3.508 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCOc2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000278581495 835469850 /nfs/dbraw/zinc/46/98/50/835469850.db2.gz FUAPLFRLFQEYHY-UHFFFAOYSA-N 1 0 379.439 3.557 20 30 GHEDRO CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329641248 835507243 /nfs/dbraw/zinc/50/72/43/835507243.db2.gz XOWUTCCUZKHJEA-LQCXBHPOSA-N 1 0 397.563 3.958 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508815607 844061426 /nfs/dbraw/zinc/06/14/26/844061426.db2.gz CEGGPLPHILUECK-INIZCTEOSA-N 1 0 389.906 3.988 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000500846330 844063977 /nfs/dbraw/zinc/06/39/77/844063977.db2.gz ZMQVZBUWNYUSNM-LAUBAEHRSA-N 1 0 379.529 3.743 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 ZINC000433380667 844075011 /nfs/dbraw/zinc/07/50/11/844075011.db2.gz DOFAXZVLLOWSLD-FYYLOGMGSA-N 1 0 391.515 3.721 20 30 GHEDRO CC(C)c1ccc(O[C@H](C)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000584168618 835721399 /nfs/dbraw/zinc/72/13/99/835721399.db2.gz STHJWMRPHARJAM-QGZVFWFLSA-N 1 0 386.517 3.512 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167086272 835731816 /nfs/dbraw/zinc/73/18/16/835731816.db2.gz XLEBOTVKCDMGEB-UHFFFAOYSA-N 1 0 376.769 3.944 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167086790 835750385 /nfs/dbraw/zinc/75/03/85/835750385.db2.gz BBPGIWPFBWIRIR-UHFFFAOYSA-N 1 0 391.450 3.667 20 30 GHEDRO CC[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000134485607 835753757 /nfs/dbraw/zinc/75/37/57/835753757.db2.gz IVIPEJCWNDXFHD-QGZVFWFLSA-N 1 0 397.544 3.710 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC2(c3cccc(F)c3)CC2)c(-c2ccncc2)n1 ZINC000278680566 835776666 /nfs/dbraw/zinc/77/66/66/835776666.db2.gz OXSFDQTXERYOBC-UHFFFAOYSA-N 1 0 375.451 3.819 20 30 GHEDRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000135882098 835779726 /nfs/dbraw/zinc/77/97/26/835779726.db2.gz NWTLWNFRCLJEOI-NWVWQQAFSA-N 1 0 392.547 3.528 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549677403 844095164 /nfs/dbraw/zinc/09/51/64/844095164.db2.gz DPSHVBRHFOTTJU-LJQANCHMSA-N 1 0 380.540 3.537 20 30 GHEDRO COc1cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)ccc1C ZINC000278708626 835848523 /nfs/dbraw/zinc/84/85/23/835848523.db2.gz RMVBSWFGIYLFGZ-UHFFFAOYSA-N 1 0 375.476 3.508 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000102752533 835872959 /nfs/dbraw/zinc/87/29/59/835872959.db2.gz XIVSBTCLUXBOOB-UHFFFAOYSA-N 1 0 381.476 3.580 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cn4cc(Cl)ccc4n3)CC2)nc1 ZINC000179561921 835877276 /nfs/dbraw/zinc/87/72/76/835877276.db2.gz LETAAPHFFHANCD-UHFFFAOYSA-N 1 0 381.867 3.734 20 30 GHEDRO C[C@H](O)C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278784743 835922064 /nfs/dbraw/zinc/92/20/64/835922064.db2.gz ZMIJBNPZSWUQOE-RXVVDRJESA-N 1 0 389.503 3.503 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000179749371 835966130 /nfs/dbraw/zinc/96/61/30/835966130.db2.gz QTZODGUEMNJQHJ-UHFFFAOYSA-N 1 0 376.500 3.617 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000612365294 836121182 /nfs/dbraw/zinc/12/11/82/836121182.db2.gz HIINJDCRFMQVCG-MOPGFXCFSA-N 1 0 379.426 3.593 20 30 GHEDRO CC(C)(C)OCc1cc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)no1 ZINC000275073388 836121602 /nfs/dbraw/zinc/12/16/02/836121602.db2.gz HIHJGRXJMCGHMK-UHFFFAOYSA-N 1 0 384.402 3.613 20 30 GHEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1nc(-c2ccccc2)no1 ZINC000375895966 836133190 /nfs/dbraw/zinc/13/31/90/836133190.db2.gz RLGLWGUGPLCUPK-KRWDZBQOSA-N 1 0 387.487 3.970 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000134882668 836159902 /nfs/dbraw/zinc/15/99/02/836159902.db2.gz CLPLMSGFHRJJDA-SIKLNZKXSA-N 1 0 391.515 3.887 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000065930916 836253432 /nfs/dbraw/zinc/25/34/32/836253432.db2.gz BWIOQCFGBUMGET-UHFFFAOYSA-N 1 0 395.890 3.578 20 30 GHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1OC ZINC000065939136 836280817 /nfs/dbraw/zinc/28/08/17/836280817.db2.gz GTQYWBZTJMIOLQ-UHFFFAOYSA-N 1 0 386.467 3.603 20 30 GHEDRO O=C(CN1CCCC[C@@H]1c1nc2ccccc2o1)NC1CC[NH+](C2CC2)CC1 ZINC000329964211 836320323 /nfs/dbraw/zinc/32/03/23/836320323.db2.gz QNKCTNBOOVNTTF-LJQANCHMSA-N 1 0 382.508 3.938 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705664524 836353134 /nfs/dbraw/zinc/35/31/34/836353134.db2.gz WDYJXSOWNQZQLO-BGYRXZFFSA-N 1 0 396.332 3.885 20 30 GHEDRO COc1ccccc1/C(C)=C/C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000066603840 836410869 /nfs/dbraw/zinc/41/08/69/836410869.db2.gz QNOSLZPSWSJUJD-KNTRCKAVSA-N 1 0 389.499 3.705 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N2CCCC2)o1 ZINC000180160388 836423853 /nfs/dbraw/zinc/42/38/53/836423853.db2.gz USETXRRRQVZWOW-OAQYLSRUSA-N 1 0 389.503 3.787 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000548945278 836489970 /nfs/dbraw/zinc/48/99/70/836489970.db2.gz ZJKJRYVRYOPTJS-LJQANCHMSA-N 1 0 380.540 3.619 20 30 GHEDRO C[C@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)no1 ZINC000255054643 836577694 /nfs/dbraw/zinc/57/76/94/836577694.db2.gz ZWFAYHMFSXPYBR-AWEZNQCLSA-N 1 0 384.461 3.746 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OC)c(OC)c1 ZINC000510171186 836608358 /nfs/dbraw/zinc/60/83/58/836608358.db2.gz UIMLTAVHWUQRIM-INIZCTEOSA-N 1 0 387.867 3.908 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000510171369 836612671 /nfs/dbraw/zinc/61/26/71/836612671.db2.gz XFIMYGHMCFIBAA-KPLVRAHFSA-N 1 0 380.488 3.780 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180204533 836682437 /nfs/dbraw/zinc/68/24/37/836682437.db2.gz ZXNQVFIDZLHJEN-NRFANRHFSA-N 1 0 386.499 3.997 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549733582 844190441 /nfs/dbraw/zinc/19/04/41/844190441.db2.gz MDXIDZAQHMETGY-HXUWFJFHSA-N 1 0 390.535 3.705 20 30 GHEDRO COc1cccc(OCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180232072 836768485 /nfs/dbraw/zinc/76/84/85/836768485.db2.gz MKKSJTXHOLOESB-UHFFFAOYSA-N 1 0 376.460 3.526 20 30 GHEDRO CN(CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472467100 836803863 /nfs/dbraw/zinc/80/38/63/836803863.db2.gz BBINWRVVVJGBND-HSZRJFAPSA-N 1 0 390.531 3.530 20 30 GHEDRO CO[C@@H](C)c1nc(CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cs1 ZINC000177568633 836808040 /nfs/dbraw/zinc/80/80/40/836808040.db2.gz RLYOFYXVXOYEIR-HNNXBMFYSA-N 1 0 388.537 3.674 20 30 GHEDRO C#CC[N@@H+](CCOc1ccc(/C=C/C(=O)OC)cc1)[C@@H]1CCc2ccccc21 ZINC001167178972 836816512 /nfs/dbraw/zinc/81/65/12/836816512.db2.gz QMLHATMDESUJBS-WIJYMUHASA-N 1 0 375.468 3.874 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376109875 836922641 /nfs/dbraw/zinc/92/26/41/836922641.db2.gz FUMCMBMNKBGFSX-UHFFFAOYSA-N 1 0 394.441 3.505 20 30 GHEDRO COc1cc(-c2noc(/C=C/c3ccccc3C#N)n2)ccc1OCC[NH+](C)C ZINC000612900689 836947396 /nfs/dbraw/zinc/94/73/96/836947396.db2.gz XMFBEQHQCFLAGC-PKNBQFBNSA-N 1 0 390.443 3.728 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000471973421 844234027 /nfs/dbraw/zinc/23/40/27/844234027.db2.gz PROUSBDEANCGNM-MRXNPFEDSA-N 1 0 397.523 3.700 20 30 GHEDRO CN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472489049 837130939 /nfs/dbraw/zinc/13/09/39/837130939.db2.gz SSVKMFXJNGFMFK-HXUWFJFHSA-N 1 0 396.922 3.747 20 30 GHEDRO CC(C)NC(=O)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000540972591 837210068 /nfs/dbraw/zinc/21/00/68/837210068.db2.gz MIXFHZOVJSGGKM-UHFFFAOYSA-N 1 0 390.531 3.702 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4c[nH]c(C#N)c4)cc3)CC2)c1 ZINC000180409099 837228495 /nfs/dbraw/zinc/22/84/95/837228495.db2.gz XENPUZMXTYMMJM-UHFFFAOYSA-N 1 0 399.498 3.769 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000645232701 844253962 /nfs/dbraw/zinc/25/39/62/844253962.db2.gz MXFPNIIGEVBOMB-INIZCTEOSA-N 1 0 386.927 3.628 20 30 GHEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480680977 837338844 /nfs/dbraw/zinc/33/88/44/837338844.db2.gz PCYIDZCJBNFWDV-PBHICJAKSA-N 1 0 392.341 3.838 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C#N)c1C ZINC000177176542 837881729 /nfs/dbraw/zinc/88/17/29/837881729.db2.gz MUKGOBQUVQAOBJ-SFHVURJKSA-N 1 0 388.581 3.619 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000177478219 837962311 /nfs/dbraw/zinc/96/23/11/837962311.db2.gz SQCHSODYHZSNOI-NHCUHLMSSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415691172 837992937 /nfs/dbraw/zinc/99/29/37/837992937.db2.gz FWYJODSTTDJYRQ-OAHLLOKOSA-N 1 0 382.512 3.680 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N2CCC[C@H](CC[NH3+])C2)n(-c2ccc(C#N)cc2)n1 ZINC000415700871 838001135 /nfs/dbraw/zinc/00/11/35/838001135.db2.gz NEHPOXYJEVJXEB-QGZVFWFLSA-N 1 0 394.523 3.634 20 30 GHEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179777484 838438877 /nfs/dbraw/zinc/43/88/77/838438877.db2.gz DFMAONMSPLLMAA-LJQANCHMSA-N 1 0 375.476 3.791 20 30 GHEDRO Cc1ccc2snc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000549822234 844365470 /nfs/dbraw/zinc/36/54/70/844365470.db2.gz OTELCABOSBWVIE-UHFFFAOYSA-N 1 0 378.501 3.680 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3C#N)C2)CC1 ZINC000120215984 838804146 /nfs/dbraw/zinc/80/41/46/838804146.db2.gz JGNZOMBGRDSKNN-QGZVFWFLSA-N 1 0 388.943 3.594 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000561021375 839004992 /nfs/dbraw/zinc/00/49/92/839004992.db2.gz ZLUQCOKAJGTVRG-HXUWFJFHSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415034135 839095933 /nfs/dbraw/zinc/09/59/33/839095933.db2.gz CGAYRFOUXPWCOA-MRXNPFEDSA-N 1 0 383.330 3.630 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC(C)=C(c3ccco3)C2)c(OC)c1 ZINC000549162732 839101446 /nfs/dbraw/zinc/10/14/46/839101446.db2.gz SEJHZNLZHDAYLQ-IBGZPJMESA-N 1 0 383.488 3.936 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000458175299 844404290 /nfs/dbraw/zinc/40/42/90/844404290.db2.gz SYOIXYCQDWIWRT-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000416399482 839147177 /nfs/dbraw/zinc/14/71/77/839147177.db2.gz OVNGEORUGBXMMT-WOJBJXKFSA-N 1 0 378.476 3.665 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000549174269 839167548 /nfs/dbraw/zinc/16/75/48/839167548.db2.gz ULXSFZWSEJNADC-KXBFYZLASA-N 1 0 388.427 3.773 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000415081309 839176147 /nfs/dbraw/zinc/17/61/47/839176147.db2.gz KHIIGJRREZZCBV-GOSISDBHSA-N 1 0 380.448 3.560 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000415086904 839187225 /nfs/dbraw/zinc/18/72/25/839187225.db2.gz SDMJMFYGLJPTGR-HOCLYGCPSA-N 1 0 380.448 3.560 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415113356 839222221 /nfs/dbraw/zinc/22/22/21/839222221.db2.gz BYUUTDFXKMWQDY-QFIPXVFZSA-N 1 0 378.476 3.648 20 30 GHEDRO CC[N@H+](Cc1cc(=O)n2ncc(C#N)c2[nH]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001167380712 839290617 /nfs/dbraw/zinc/29/06/17/839290617.db2.gz IEWHRLFISVMJHC-LBPRGKRZSA-N 1 0 389.381 3.908 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)c1 ZINC000472748043 839367138 /nfs/dbraw/zinc/36/71/38/839367138.db2.gz IBDOSMGASIIMSW-FQEVSTJZSA-N 1 0 375.513 3.606 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175814758 839626675 /nfs/dbraw/zinc/62/66/75/839626675.db2.gz HCIJZAXDWSTOMD-GJZGRUSLSA-N 1 0 375.519 3.598 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000549256510 839629390 /nfs/dbraw/zinc/62/93/90/839629390.db2.gz NLUNOQUCXISKEK-UHFFFAOYSA-N 1 0 388.519 3.547 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000580486037 839658338 /nfs/dbraw/zinc/65/83/38/839658338.db2.gz MOCOFZMKMWNDTR-AZUAARDMSA-N 1 0 395.572 3.788 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000328580875 839687600 /nfs/dbraw/zinc/68/76/00/839687600.db2.gz MEIIMQLZCLYXSR-PMPSAXMXSA-N 1 0 383.533 3.626 20 30 GHEDRO CS[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415403432 839724007 /nfs/dbraw/zinc/72/40/07/839724007.db2.gz SARCXAMZTOJFHQ-FQEVSTJZSA-N 1 0 379.529 3.765 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000610445848 839735719 /nfs/dbraw/zinc/73/57/19/839735719.db2.gz AWUHKMUIQLSHLB-LEWJYISDSA-N 1 0 396.922 3.600 20 30 GHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415468187 839814523 /nfs/dbraw/zinc/81/45/23/839814523.db2.gz WXVUITXRKGCXPM-IBGZPJMESA-N 1 0 396.491 3.528 20 30 GHEDRO C#CCN(CCC[NH+](CC)CC)[C@H]1CCOc2ccc(Br)cc21 ZINC001167420402 839842345 /nfs/dbraw/zinc/84/23/45/839842345.db2.gz DCMCWAFUWLQEFK-SFHVURJKSA-N 1 0 379.342 3.940 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1OC ZINC000160595405 840005567 /nfs/dbraw/zinc/00/55/67/840005567.db2.gz AWCYZNPSSJBYGO-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000610458758 840102002 /nfs/dbraw/zinc/10/20/02/840102002.db2.gz ROYWIDSQYUSRGR-OALUTQOASA-N 1 0 376.504 3.925 20 30 GHEDRO N#CC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCSCC1 ZINC000934014238 844528052 /nfs/dbraw/zinc/52/80/52/844528052.db2.gz ZXGPMAXNOAWUEA-NRFANRHFSA-N 1 0 383.561 3.538 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000580861696 840351547 /nfs/dbraw/zinc/35/15/47/840351547.db2.gz MIITYQXRHGWOLX-ULQDDVLXSA-N 1 0 387.503 3.662 20 30 GHEDRO N#CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000155944538 840511853 /nfs/dbraw/zinc/51/18/53/840511853.db2.gz XUAXKIINXMUJBX-IRLDBZIGSA-N 1 0 389.499 3.716 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC(=O)NC3(C)C)cc2)CC1 ZINC000328759968 840518561 /nfs/dbraw/zinc/51/85/61/840518561.db2.gz XCOGLUKUFGLJGE-IBGZPJMESA-N 1 0 386.540 3.820 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccccc2-n2ccnc2)cc1OCCCC#N ZINC000064614311 840670503 /nfs/dbraw/zinc/67/05/03/840670503.db2.gz HEIYWUBBGQUQIU-UHFFFAOYSA-N 1 0 376.460 3.853 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccccc2-n2cccn2)cc1OCCCC#N ZINC000064614565 840670640 /nfs/dbraw/zinc/67/06/40/840670640.db2.gz KTCHJUDXLAJUIH-UHFFFAOYSA-N 1 0 376.460 3.853 20 30 GHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000187355126 840676698 /nfs/dbraw/zinc/67/66/98/840676698.db2.gz HBXSAOFJJWGDDZ-UHFFFAOYSA-N 1 0 376.504 3.851 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000047338050 840751757 /nfs/dbraw/zinc/75/17/57/840751757.db2.gz NGZHFSALHKOYFQ-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000660597272 840979030 /nfs/dbraw/zinc/97/90/30/840979030.db2.gz NWCSHVOTOXMCMN-SFHVURJKSA-N 1 0 392.341 3.946 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)cc1Br ZINC001279108333 841258333 /nfs/dbraw/zinc/25/83/33/841258333.db2.gz SFYRKGLIGLGCGI-ROUUACIJSA-N 1 0 388.309 3.552 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417941686 841301458 /nfs/dbraw/zinc/30/14/58/841301458.db2.gz SEMCDMGRYRWYPH-KSZLIROESA-N 1 0 399.457 3.860 20 30 GHEDRO COc1ccc([C@H](NCC(=O)NC2(C#N)CCCCC2)c2ccc(F)cc2)cc1 ZINC000149854954 841343889 /nfs/dbraw/zinc/34/38/89/841343889.db2.gz FKZDTZUMFPXSOS-JOCHJYFZSA-N 1 0 395.478 3.856 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1OC ZINC000623550195 861193131 /nfs/dbraw/zinc/19/31/31/861193131.db2.gz FJEMSPMTTHJGND-INIZCTEOSA-N 1 0 379.859 3.918 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(CC)cc1 ZINC000027311405 841370802 /nfs/dbraw/zinc/37/08/02/841370802.db2.gz XDSOSLNRNBXUAB-UHFFFAOYSA-O 1 0 396.536 3.599 20 30 GHEDRO CCO[C@H](C)c1nc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000255306862 841392025 /nfs/dbraw/zinc/39/20/25/841392025.db2.gz YPOULSOCOXOWBP-OAHLLOKOSA-N 1 0 375.494 3.628 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000661116034 841409552 /nfs/dbraw/zinc/40/95/52/841409552.db2.gz HBPPNEKIZLRVAD-CJNGLKHVSA-N 1 0 376.298 3.682 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000661117568 841421068 /nfs/dbraw/zinc/42/10/68/841421068.db2.gz SBYCORDWCPLJNP-PXNSSMCTSA-N 1 0 378.538 3.533 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000599452812 861201349 /nfs/dbraw/zinc/20/13/49/861201349.db2.gz BXDSJICAVLGRJO-KRWDZBQOSA-N 1 0 376.378 3.596 20 30 GHEDRO C[C@](Cc1ccccc1)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000599438712 861207807 /nfs/dbraw/zinc/20/78/07/861207807.db2.gz ZLATZCZOVQQBCR-XZOQPEGZSA-N 1 0 378.516 3.805 20 30 GHEDRO CC[C@@H](CC#N)NCCOc1c(Br)cccc1Br ZINC000594006852 841607981 /nfs/dbraw/zinc/60/79/81/841607981.db2.gz QAILTRXUDSDEIA-JTQLQIEISA-N 1 0 376.092 3.872 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000651516017 841833779 /nfs/dbraw/zinc/83/37/79/841833779.db2.gz GGLPUKRJRQIQJJ-FQEVSTJZSA-N 1 0 387.572 3.798 20 30 GHEDRO CSc1nc(C2CC2)cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1C#N ZINC000581633836 841843995 /nfs/dbraw/zinc/84/39/95/841843995.db2.gz KVEYQLPNXLNFRK-JXFKEZNVSA-N 1 0 397.504 3.528 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133624 841850251 /nfs/dbraw/zinc/85/02/51/841850251.db2.gz ZQDKWJWAVRUZRQ-PIPMEXSNSA-N 1 0 377.488 3.985 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](c2ccccc2)N2CCc3sccc3C2)cc1C#N ZINC000190771993 842069764 /nfs/dbraw/zinc/06/97/64/842069764.db2.gz OPMMFZWLWZFAOF-OAQYLSRUSA-N 1 0 376.529 3.847 20 30 GHEDRO Cn1c2ccccc2nc1CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181978482 842077756 /nfs/dbraw/zinc/07/77/56/842077756.db2.gz KSSVYFGNMLVFOT-UHFFFAOYSA-N 1 0 387.531 3.632 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)c1C#N ZINC000609483972 842116170 /nfs/dbraw/zinc/11/61/70/842116170.db2.gz XOJQYMSTZUCIAH-QHCPKHFHSA-N 1 0 394.519 3.528 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000548210830 842170460 /nfs/dbraw/zinc/17/04/60/842170460.db2.gz LNMCCLREMZYGRA-FGZHOGPDSA-N 1 0 399.498 3.998 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661782256 842170859 /nfs/dbraw/zinc/17/08/59/842170859.db2.gz WEGFWTVSONVBDE-ROUUACIJSA-N 1 0 384.549 3.638 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000157954149 842245723 /nfs/dbraw/zinc/24/57/23/842245723.db2.gz AELXEKRPXNNYMZ-OAQYLSRUSA-N 1 0 377.488 3.669 20 30 GHEDRO Cc1cc(C)c(C#N)c(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000603867053 861297590 /nfs/dbraw/zinc/29/75/90/861297590.db2.gz FYXUQBQPTWVZNO-UHFFFAOYSA-N 1 0 377.536 3.580 20 30 GHEDRO O=C(N1CCC2(CCC[N@H+](CCCC(F)(F)F)C2)CC1)C(F)(F)C(F)F ZINC001273095429 861301756 /nfs/dbraw/zinc/30/17/56/861301756.db2.gz OSVAZOLYKIYEAT-UHFFFAOYSA-N 1 0 392.359 3.934 20 30 GHEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1=O ZINC000328828942 842373569 /nfs/dbraw/zinc/37/35/69/842373569.db2.gz QTYNFDSEUDVQRA-PKOBYXMFSA-N 1 0 386.540 3.549 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1 ZINC000329345333 861309600 /nfs/dbraw/zinc/30/96/00/861309600.db2.gz QXCLLUZLKTVUMD-JYJNAYRXSA-N 1 0 390.503 3.740 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329348827 861311445 /nfs/dbraw/zinc/31/14/45/861311445.db2.gz SJCFGFKPOFUMDG-AOIWGVFYSA-N 1 0 396.539 3.643 20 30 GHEDRO N#C[C@H]1CC[C@H](Nc2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)CC1 ZINC001167844184 842483299 /nfs/dbraw/zinc/48/32/99/842483299.db2.gz KSNQFOJGBGZTIZ-KZNAEPCWSA-N 1 0 392.507 3.691 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](n2ncc3ccccc32)C1)C(C)C ZINC000510488642 842564099 /nfs/dbraw/zinc/56/40/99/842564099.db2.gz IJAKWEBIKLEKTA-IFMALSPDSA-N 1 0 395.551 3.691 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000187527127 842620366 /nfs/dbraw/zinc/62/03/66/842620366.db2.gz PDWUDPSDOFNHLP-JOCHJYFZSA-N 1 0 391.515 3.798 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)CCOCC1 ZINC000599412876 842727480 /nfs/dbraw/zinc/72/74/80/842727480.db2.gz PTTRQYZHZUAKQE-YLJYHZDGSA-N 1 0 378.463 3.620 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C(F)(F)F)o1 ZINC000471833459 842765828 /nfs/dbraw/zinc/76/58/28/842765828.db2.gz QROLPVPTVRWURW-UHFFFAOYSA-N 1 0 379.382 3.683 20 30 GHEDRO O=C(NCC#Cc1cccc(F)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000512187449 842838247 /nfs/dbraw/zinc/83/82/47/842838247.db2.gz XHSZUTIKUHLIMC-UHFFFAOYSA-N 1 0 379.479 3.663 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000891766418 842859833 /nfs/dbraw/zinc/85/98/33/842859833.db2.gz OXQJTTYNDFOTOA-MGPUTAFESA-N 1 0 398.457 3.830 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000603905097 861365194 /nfs/dbraw/zinc/36/51/94/861365194.db2.gz BIIFMWJJNVAYCD-NJAFHUGGSA-N 1 0 394.906 3.607 20 30 GHEDRO CC[C@H](O)C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000279349710 843018381 /nfs/dbraw/zinc/01/83/81/843018381.db2.gz FXSYHNSXZXBCRC-QFIPXVFZSA-N 1 0 389.503 3.632 20 30 GHEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000510628478 843081361 /nfs/dbraw/zinc/08/13/61/843081361.db2.gz IMQFASRQMFRFPV-QZTJIDSGSA-N 1 0 389.565 3.843 20 30 GHEDRO Cc1ccc2c(c1C)OC[C@H]2NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000328956268 843179873 /nfs/dbraw/zinc/17/98/73/843179873.db2.gz ZDXSQTRZGXNBAC-OAQYLSRUSA-N 1 0 379.504 3.905 20 30 GHEDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(NC([O-])=[NH+]c2ccccc2)s1 ZINC000329413124 861389040 /nfs/dbraw/zinc/38/90/40/861389040.db2.gz CNIAODYSDKNLNN-HOTGVXAUSA-N 1 0 384.505 3.762 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1Cl ZINC000510685770 843194073 /nfs/dbraw/zinc/19/40/73/843194073.db2.gz LASUOONHRJFKLO-JOCHJYFZSA-N 1 0 395.890 3.714 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430944933 843228225 /nfs/dbraw/zinc/22/82/25/843228225.db2.gz OUNHNLMFCNWEHD-OAQYLSRUSA-N 1 0 380.488 3.669 20 30 GHEDRO C[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329418853 861393927 /nfs/dbraw/zinc/39/39/27/861393927.db2.gz GVKGXASYJFMXSQ-HUUCEWRRSA-N 1 0 376.570 3.853 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CCC[NH2+]1 ZINC000662437936 843244619 /nfs/dbraw/zinc/24/46/19/843244619.db2.gz KHNDAXCCJCIPIT-KRWDZBQOSA-N 1 0 378.498 3.606 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cccc4nccnc43)CCCCC2)CCO1 ZINC000329422063 861399719 /nfs/dbraw/zinc/39/97/19/861399719.db2.gz HWCMHPBQNZINDJ-UHFFFAOYSA-N 1 0 382.508 3.748 20 30 GHEDRO CC(C)N(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843695462 843323047 /nfs/dbraw/zinc/32/30/47/843323047.db2.gz BBJRUIZFRFHEIL-JOCHJYFZSA-N 1 0 391.515 3.643 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2)c1 ZINC000066953309 843378021 /nfs/dbraw/zinc/37/80/21/843378021.db2.gz CICRFYXPISKIQA-IBGZPJMESA-N 1 0 376.460 3.956 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@H](C)C[NH2+]1 ZINC000662513530 843378575 /nfs/dbraw/zinc/37/85/75/843378575.db2.gz AFTVZKOGDRPFRB-NXEZZACHSA-N 1 0 386.311 3.798 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC[NH2+]1 ZINC000662525147 843381809 /nfs/dbraw/zinc/38/18/09/843381809.db2.gz QXXIBOFQHBVOHG-HJPURHCSSA-N 1 0 395.478 3.954 20 30 GHEDRO CCOCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCc2ccccc21 ZINC000599625406 861411119 /nfs/dbraw/zinc/41/11/19/861411119.db2.gz JSUYOWWESIMLCE-FQEVSTJZSA-N 1 0 381.476 3.733 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000279860854 843437106 /nfs/dbraw/zinc/43/71/06/843437106.db2.gz BQDNDWCDGNTHKX-UHFFFAOYSA-N 1 0 398.457 3.867 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CCC[NH2+]1 ZINC000662683791 843517612 /nfs/dbraw/zinc/51/76/12/843517612.db2.gz UCINMCIAFWYUHK-HXOBKFHXSA-N 1 0 395.503 3.545 20 30 GHEDRO C=CC[C@]1(C(=O)NCc2cccnc2Oc2ccc(OCCC)cc2)CCC[NH2+]1 ZINC000662686533 843518372 /nfs/dbraw/zinc/51/83/72/843518372.db2.gz OMLJUDOKSRSGSE-HSZRJFAPSA-N 1 0 395.503 3.977 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000278895114 843594765 /nfs/dbraw/zinc/59/47/65/843594765.db2.gz YXEGNMXGOSGQGU-OAQYLSRUSA-N 1 0 383.517 3.584 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1COc2ccccc2O1 ZINC000105423117 843611646 /nfs/dbraw/zinc/61/16/46/843611646.db2.gz AHYKRHXBKGKXKF-QGZVFWFLSA-N 1 0 399.878 3.702 20 30 GHEDRO CCC[NH+](CCC)CCCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000510846225 843616998 /nfs/dbraw/zinc/61/69/98/843616998.db2.gz QBDQYGOKSQHFQP-UHFFFAOYSA-N 1 0 388.531 3.542 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000178395324 843641648 /nfs/dbraw/zinc/64/16/48/843641648.db2.gz WOBQBRJNUGVNFH-LJQANCHMSA-N 1 0 383.517 3.710 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4ccncc4)cc3F)CC2)nc1 ZINC000121624836 843759458 /nfs/dbraw/zinc/75/94/58/843759458.db2.gz ZZFLPXUEDRLLOV-UHFFFAOYSA-N 1 0 387.462 3.913 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000512428240 843761038 /nfs/dbraw/zinc/76/10/38/843761038.db2.gz QSJNAJNASJOFIM-XXBNENTESA-N 1 0 385.504 3.605 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1csc([N+](=O)[O-])c1 ZINC000510897907 843763008 /nfs/dbraw/zinc/76/30/08/843763008.db2.gz ADYMOKPSQOMDOQ-UHFFFAOYSA-N 1 0 393.538 3.755 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000471944949 843775834 /nfs/dbraw/zinc/77/58/34/843775834.db2.gz UJZMFIQNCLFKHE-CTNGQTDRSA-N 1 0 378.476 3.912 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c(F)c1 ZINC000512823798 843807262 /nfs/dbraw/zinc/80/72/62/843807262.db2.gz MXZVOFHZRYRGGC-UHFFFAOYSA-N 1 0 385.395 3.528 20 30 GHEDRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512829788 843822459 /nfs/dbraw/zinc/82/24/59/843822459.db2.gz XRAQXOFURRVORG-IBGZPJMESA-N 1 0 398.478 3.597 20 30 GHEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000599651952 861477749 /nfs/dbraw/zinc/47/77/49/861477749.db2.gz JDWQXMJTRAVJLT-FMEYXAORSA-N 1 0 398.304 3.725 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000432948835 844717083 /nfs/dbraw/zinc/71/70/83/844717083.db2.gz MMJZGOQRCIOPHC-IBGZPJMESA-N 1 0 379.460 3.741 20 30 GHEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329471082 861494283 /nfs/dbraw/zinc/49/42/83/861494283.db2.gz ZGMMKINRNRKZGV-SFHVURJKSA-N 1 0 391.585 3.602 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)c1 ZINC000512628033 844833244 /nfs/dbraw/zinc/83/32/44/844833244.db2.gz JUFHVGCTBAIMQJ-UHFFFAOYSA-N 1 0 385.471 3.595 20 30 GHEDRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)cn1 ZINC000599696751 861503848 /nfs/dbraw/zinc/50/38/48/861503848.db2.gz GVKNMHJNIPBLFF-HXUWFJFHSA-N 1 0 384.867 3.685 20 30 GHEDRO N#Cc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2cccc(F)c2)cc1 ZINC000176215552 844866271 /nfs/dbraw/zinc/86/62/71/844866271.db2.gz YTXWOMQRCMASBN-UHFFFAOYSA-N 1 0 379.395 3.504 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000433012022 844915169 /nfs/dbraw/zinc/91/51/69/844915169.db2.gz QSEKLKHHXMALGC-YADHBBJMSA-N 1 0 395.478 3.750 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000610967871 844924635 /nfs/dbraw/zinc/92/46/35/844924635.db2.gz TZDWPMVENZOCRW-LEWJYISDSA-N 1 0 389.499 3.853 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000433011223 844940139 /nfs/dbraw/zinc/94/01/39/844940139.db2.gz NFMFKKYMCVFQCG-QFIPXVFZSA-N 1 0 387.487 3.513 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)C1 ZINC000329481583 861514259 /nfs/dbraw/zinc/51/42/59/861514259.db2.gz RFGQOWNGBOGOQX-MHXWBEHSSA-N 1 0 399.579 3.997 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000433020130 844976635 /nfs/dbraw/zinc/97/66/35/844976635.db2.gz QYZZWSCTLCSMJK-NRFANRHFSA-N 1 0 398.470 3.707 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000610987308 844993583 /nfs/dbraw/zinc/99/35/83/844993583.db2.gz YLZTTWKRZGVDOC-VXKWHMMOSA-N 1 0 376.504 3.947 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000513209692 845052362 /nfs/dbraw/zinc/05/23/62/845052362.db2.gz FTRYAWWPXPQADV-FQEVSTJZSA-N 1 0 375.472 3.585 20 30 GHEDRO Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)ccc1OCC[NH+]1CCCC1 ZINC000119441445 845139770 /nfs/dbraw/zinc/13/97/70/845139770.db2.gz DWCSLFCBSBOTSJ-UHFFFAOYSA-N 1 0 385.414 3.872 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)o2)c1 ZINC000333412961 845180702 /nfs/dbraw/zinc/18/07/02/845180702.db2.gz DMPWQKCWLHRFGW-IBGZPJMESA-N 1 0 379.508 3.696 20 30 GHEDRO C[C@]1(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO[C@H]1C1CC1 ZINC000329499437 861542217 /nfs/dbraw/zinc/54/22/17/861542217.db2.gz FTBSJGYDCCASQT-FPOVZHCZSA-N 1 0 391.943 3.766 20 30 GHEDRO CC(C)C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000614217127 845221949 /nfs/dbraw/zinc/22/19/49/845221949.db2.gz HPFXIOSSRUTMDC-JTHBVZDNSA-N 1 0 393.531 3.923 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2ccnn2C)C[N@@H+]1Cc1ccccc1 ZINC000329506427 861557710 /nfs/dbraw/zinc/55/77/10/861557710.db2.gz HPKVNOLOLREDMF-SLYNCCJLSA-N 1 0 381.524 3.524 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(F)cc1Cl ZINC000047234442 845476745 /nfs/dbraw/zinc/47/67/45/845476745.db2.gz ZDMJQBPPZJWSMC-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO Cc1ccc(NC(=O)N2CCc3c(CC#N)cccc3C2)c(OCC[NH+](C)C)c1 ZINC000599741970 861592549 /nfs/dbraw/zinc/59/25/49/861592549.db2.gz PSORZYBYVPUCGK-UHFFFAOYSA-N 1 0 392.503 3.592 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000329523624 861587479 /nfs/dbraw/zinc/58/74/79/861587479.db2.gz GOLKYIMWEDILMT-DYVFJYSZSA-N 1 0 381.879 3.805 20 30 GHEDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@]12CCCO2 ZINC000329522713 861588087 /nfs/dbraw/zinc/58/80/87/861588087.db2.gz PMBHOMLCSCUKQK-UGGKCQTMSA-N 1 0 390.499 3.721 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC(=O)N2CCc3ccccc32)c1 ZINC000731361025 861588549 /nfs/dbraw/zinc/58/85/49/861588549.db2.gz WIODNNSEMLKYKK-UHFFFAOYSA-N 1 0 397.478 3.816 20 30 GHEDRO N#Cc1ccc(OCC[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000071887163 845686467 /nfs/dbraw/zinc/68/64/67/845686467.db2.gz SDKDZABJYCWOBI-FQEVSTJZSA-N 1 0 378.476 3.613 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000513585671 845689471 /nfs/dbraw/zinc/68/94/71/845689471.db2.gz HXJYAWWURGFJJC-FQEVSTJZSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[NH+](CC3CC3)CC2)cc1OC ZINC000513621056 845734444 /nfs/dbraw/zinc/73/44/44/845734444.db2.gz CKSAGCQETZLEJS-UHFFFAOYSA-N 1 0 395.341 3.550 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000375656938 845964808 /nfs/dbraw/zinc/96/48/08/845964808.db2.gz TWXDLRZCKFTDQK-TXTKFYIRSA-N 1 0 397.563 3.812 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H](O)COCc2ccco2)cc1 ZINC000178515339 845964945 /nfs/dbraw/zinc/96/49/45/845964945.db2.gz QGEBYRLNLRQCFU-JOCHJYFZSA-N 1 0 394.446 3.870 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)c1 ZINC000502537573 846176273 /nfs/dbraw/zinc/17/62/73/846176273.db2.gz LHKKWRQCWTYQLJ-IBGZPJMESA-N 1 0 399.491 3.587 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1Cl ZINC000119760771 846188510 /nfs/dbraw/zinc/18/85/10/846188510.db2.gz AGQVHAGYUPZVFN-UHFFFAOYSA-N 1 0 390.915 3.568 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000604035720 861653013 /nfs/dbraw/zinc/65/30/13/861653013.db2.gz LMYZKAWYHYXTCM-QZTJIDSGSA-N 1 0 397.544 3.515 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000280088528 846285959 /nfs/dbraw/zinc/28/59/59/846285959.db2.gz YSIBIBWLJMOPRT-OALUTQOASA-N 1 0 397.563 3.839 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000551487378 846394126 /nfs/dbraw/zinc/39/41/26/846394126.db2.gz XLTVXUAKSFIEBR-GASCZTMLSA-N 1 0 385.533 3.701 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000280554645 846434065 /nfs/dbraw/zinc/43/40/65/846434065.db2.gz FEYVUKZXYLYCHY-PGRDOPGGSA-N 1 0 386.492 3.950 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000551777503 846516107 /nfs/dbraw/zinc/51/61/07/846516107.db2.gz LOFFUWVQBCMGFQ-RAKGIWIYSA-N 1 0 389.499 3.844 20 30 GHEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000414550687 846555889 /nfs/dbraw/zinc/55/58/89/846555889.db2.gz DMVNSFPGYXMQMS-UGKGYDQZSA-N 1 0 387.487 3.761 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419503702 846596451 /nfs/dbraw/zinc/59/64/51/846596451.db2.gz IBTHTUXZAQBPNQ-CWFSZBLJSA-N 1 0 380.492 3.957 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]CC#Cc1ccc(F)cc1 ZINC000501071627 846604967 /nfs/dbraw/zinc/60/49/67/846604967.db2.gz YFSXRBJCYXCYHH-UHFFFAOYSA-N 1 0 377.257 3.782 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000760016429 846615089 /nfs/dbraw/zinc/61/50/89/846615089.db2.gz JQEQDVCIDXGMPA-HYBUGGRVSA-N 1 0 378.516 3.640 20 30 GHEDRO N#CCCn1ncc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1-c1ccccc1 ZINC000429592912 846638244 /nfs/dbraw/zinc/63/82/44/846638244.db2.gz NGLGQZQIRPDNRX-UHFFFAOYSA-N 1 0 391.519 3.554 20 30 GHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419625063 846691445 /nfs/dbraw/zinc/69/14/45/846691445.db2.gz WAOAOAQVHMRGOO-FQEVSTJZSA-N 1 0 382.533 3.771 20 30 GHEDRO COc1cc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(F)cc1C#N ZINC000599816219 861715843 /nfs/dbraw/zinc/71/58/43/861715843.db2.gz CJHAGYOTKPLDQS-PBHICJAKSA-N 1 0 382.439 3.663 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[NH+](C)C)cc1 ZINC000582323199 846863722 /nfs/dbraw/zinc/86/37/22/846863722.db2.gz QXLIYFUZJZDCOT-FPOVZHCZSA-N 1 0 381.545 3.900 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c2cccc3Br)CC1 ZINC000422169208 846868150 /nfs/dbraw/zinc/86/81/50/846868150.db2.gz USKXUGXMRMQCJY-UHFFFAOYSA-N 1 0 378.314 3.562 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000501388402 846883578 /nfs/dbraw/zinc/88/35/78/846883578.db2.gz PHQLKUABNJMHOI-HNNXBMFYSA-N 1 0 383.330 3.573 20 30 GHEDRO C=CCC[C@@H]1NC(=O)N(Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1=O ZINC000419926950 846888698 /nfs/dbraw/zinc/88/86/98/846888698.db2.gz QOKMLKSCPGRFRO-NRFANRHFSA-N 1 0 377.488 3.802 20 30 GHEDRO CN1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152455954 847122472 /nfs/dbraw/zinc/12/24/72/847122472.db2.gz QLGYHQUJDPHJHZ-MJGOQNOKSA-N 1 0 387.842 3.557 20 30 GHEDRO Cn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC000511129014 847281347 /nfs/dbraw/zinc/28/13/47/847281347.db2.gz ZIZLQPRMYKHGQN-UHFFFAOYSA-N 1 0 375.432 3.541 20 30 GHEDRO CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000481586286 861773654 /nfs/dbraw/zinc/77/36/54/861773654.db2.gz LGCPOQXCJKREJA-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329617998 861782138 /nfs/dbraw/zinc/78/21/38/861782138.db2.gz LTZLQYJDFNVIER-NRFANRHFSA-N 1 0 393.535 3.992 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCc2ccc(C#N)s2)C[N@@H+]1Cc1ccccc1 ZINC000420883602 847504916 /nfs/dbraw/zinc/50/49/16/847504916.db2.gz HXCGIAUGARGLRV-WMZOPIPTSA-N 1 0 382.533 3.720 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420917614 847537834 /nfs/dbraw/zinc/53/78/34/847537834.db2.gz SYLQDSOLTDHRTL-BJKOFHAPSA-N 1 0 375.516 3.791 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113343378 847551168 /nfs/dbraw/zinc/55/11/68/847551168.db2.gz OFHVKMNVRNSHPR-IBGZPJMESA-N 1 0 395.507 3.563 20 30 GHEDRO Cc1ccc(C)c(OCC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000502175196 847560063 /nfs/dbraw/zinc/56/00/63/847560063.db2.gz RMGDTRDHRJPYPT-UHFFFAOYSA-N 1 0 377.488 3.905 20 30 GHEDRO CCOC(=O)COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000513741069 847710384 /nfs/dbraw/zinc/71/03/84/847710384.db2.gz FBBPADJFXJULRN-UHFFFAOYSA-N 1 0 394.471 3.544 20 30 GHEDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000503460817 847715010 /nfs/dbraw/zinc/71/50/10/847715010.db2.gz KUKJEEFBFMIQRB-JTDSTZFVSA-N 1 0 375.538 3.594 20 30 GHEDRO CCSc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000502308292 847741836 /nfs/dbraw/zinc/74/18/36/847741836.db2.gz GFJHWFWBCZYXGR-UHFFFAOYSA-N 1 0 393.556 3.947 20 30 GHEDRO CC(C)(C#N)CCCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000277728321 847743537 /nfs/dbraw/zinc/74/35/37/847743537.db2.gz NWUQSBFVLJRZDK-UHFFFAOYSA-N 1 0 376.932 3.616 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C#N)c(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000562092569 847745051 /nfs/dbraw/zinc/74/50/51/847745051.db2.gz WEFZTVRJXYYNTR-RTWAWAEBSA-N 1 0 394.450 3.805 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000509972290 847946331 /nfs/dbraw/zinc/94/63/31/847946331.db2.gz NZJPAPRUNZKYFX-FQEVSTJZSA-N 1 0 378.476 3.765 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609420709 848050464 /nfs/dbraw/zinc/05/04/64/848050464.db2.gz JOAZWLXUWJDHMB-HXUWFJFHSA-N 1 0 398.551 3.766 20 30 GHEDRO CCc1nc(C#N)cc(N(c2cc(OC)cc3cccnc32)[C@H](C)CCC[NH3+])n1 ZINC001167611284 848300499 /nfs/dbraw/zinc/30/04/99/848300499.db2.gz KXHTWZRYKJEQGQ-OAHLLOKOSA-N 1 0 390.491 3.733 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000329640365 861889643 /nfs/dbraw/zinc/88/96/43/861889643.db2.gz ZTNODMNZBLZUHL-PZJWPPBQSA-N 1 0 383.536 3.601 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)NCCC)C2)cc1OC ZINC000628160513 848403618 /nfs/dbraw/zinc/40/36/18/848403618.db2.gz XMMAOPIHPCHOCF-MRXNPFEDSA-N 1 0 380.916 3.652 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c(C(F)(F)F)c1 ZINC000582838642 848538292 /nfs/dbraw/zinc/53/82/92/848538292.db2.gz RBGJOCYKYAGPNW-UHFFFAOYSA-N 1 0 389.303 3.588 20 30 GHEDRO COc1ccc(-c2nc(CO/[NH+]=C/c3ccc(N4CCOCC4)cc3)co2)cc1 ZINC000120813485 848638701 /nfs/dbraw/zinc/63/87/01/848638701.db2.gz FGEOFGIGOMNWHU-OEAKJJBVSA-N 1 0 393.443 3.738 20 30 GHEDRO Cc1nc(C(C)C)ccc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000582978828 848813992 /nfs/dbraw/zinc/81/39/92/848813992.db2.gz UWWKGLNXFAWMQW-UHFFFAOYSA-N 1 0 391.475 3.955 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)o2)c1 ZINC000583090927 849048910 /nfs/dbraw/zinc/04/89/10/849048910.db2.gz YKPIJZSFRBAXJO-DEOSSOPVSA-N 1 0 399.498 3.706 20 30 GHEDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000604230573 862000926 /nfs/dbraw/zinc/00/09/26/862000926.db2.gz QIJACVRYLZJCDG-HXUWFJFHSA-N 1 0 378.476 3.547 20 30 GHEDRO N#CCC[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000124455544 849327587 /nfs/dbraw/zinc/32/75/87/849327587.db2.gz OUKZTYNZVAMWSM-QHCPKHFHSA-N 1 0 391.515 3.666 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000583251644 849436570 /nfs/dbraw/zinc/43/65/70/849436570.db2.gz YJIVGANLCUJLDI-UHFFFAOYSA-N 1 0 390.487 3.716 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1OC ZINC000155513802 849544084 /nfs/dbraw/zinc/54/40/84/849544084.db2.gz NMBHVSBYJBEMHB-QGZVFWFLSA-N 1 0 395.503 3.610 20 30 GHEDRO C=CC[C@H](CC)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000504094459 849895524 /nfs/dbraw/zinc/89/55/24/849895524.db2.gz UMQIQGCIXPWYAW-AWEZNQCLSA-N 1 0 395.301 3.805 20 30 GHEDRO N#CC1(CCC[NH2+][C@@H]2CCOc3c(Br)cccc32)CCOCC1 ZINC000282123774 849898914 /nfs/dbraw/zinc/89/89/14/849898914.db2.gz QVGPTWCYMJWYJX-MRXNPFEDSA-N 1 0 379.298 3.963 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000162885847 862084742 /nfs/dbraw/zinc/08/47/42/862084742.db2.gz BVYYXLAIPSILKO-UHFFFAOYSA-N 1 0 394.519 3.635 20 30 GHEDRO Cc1nc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)ccc1C#N ZINC000481695678 862086503 /nfs/dbraw/zinc/08/65/03/862086503.db2.gz ZTHCFVOLXHNCHG-UHFFFAOYSA-N 1 0 384.483 3.920 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000600472740 862087441 /nfs/dbraw/zinc/08/74/41/862087441.db2.gz PINUUYQQHFFOER-GOSISDBHSA-N 1 0 376.287 3.827 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000604362149 862094802 /nfs/dbraw/zinc/09/48/02/862094802.db2.gz NBEUDGKCLBEJPA-IRXDYDNUSA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000424090658 850212880 /nfs/dbraw/zinc/21/28/80/850212880.db2.gz MOBBOTVJFSRFRZ-DNVCBOLYSA-N 1 0 379.464 3.529 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000518843889 850235608 /nfs/dbraw/zinc/23/56/08/850235608.db2.gz CZHALVKKEJQWGA-HZPDHXFCSA-N 1 0 380.467 3.975 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000514759901 850257631 /nfs/dbraw/zinc/25/76/31/850257631.db2.gz SBIOTWGAOSUONG-UNMCSNQZSA-N 1 0 394.515 3.506 20 30 GHEDRO C[C@@H](c1cccnc1)N1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000514770055 850268909 /nfs/dbraw/zinc/26/89/09/850268909.db2.gz ZLSFIEYOBYEVSM-KRWDZBQOSA-N 1 0 375.520 3.845 20 30 GHEDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000424186940 850280136 /nfs/dbraw/zinc/28/01/36/850280136.db2.gz JHHQSXWMUZODKO-UHFFFAOYSA-N 1 0 385.552 3.870 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000518889713 850282851 /nfs/dbraw/zinc/28/28/51/850282851.db2.gz INXREVJSDVILMX-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000732189784 862114474 /nfs/dbraw/zinc/11/44/74/862114474.db2.gz UHFRCIAEWBUNQD-INIZCTEOSA-N 1 0 387.528 3.532 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000424239395 850306992 /nfs/dbraw/zinc/30/69/92/850306992.db2.gz HHLWYNSMAYFYOC-IBGZPJMESA-N 1 0 383.565 3.745 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000437955783 850429634 /nfs/dbraw/zinc/42/96/34/850429634.db2.gz QZIPQXAUDKKZDK-HNNXBMFYSA-N 1 0 378.423 3.546 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424416636 850447921 /nfs/dbraw/zinc/44/79/21/850447921.db2.gz KNZBEQMIVYALDQ-QZTJIDSGSA-N 1 0 380.448 3.751 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)ccc1OC ZINC000143013975 862133061 /nfs/dbraw/zinc/13/30/61/862133061.db2.gz AWYAHLBBBBLTAV-FQEVSTJZSA-N 1 0 380.488 3.541 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1Cl ZINC000425376335 850500211 /nfs/dbraw/zinc/50/02/11/850500211.db2.gz XDGHJQBXKVBONL-HXUWFJFHSA-N 1 0 379.928 3.952 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000505022249 850530811 /nfs/dbraw/zinc/53/08/11/850530811.db2.gz BVSHKKQIFQVVCX-UHFFFAOYSA-N 1 0 384.568 3.828 20 30 GHEDRO C[C@H](Sc1cccc(F)c1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514989401 850581319 /nfs/dbraw/zinc/58/13/19/850581319.db2.gz JCJQBXSNCRSMIJ-DOTOQJQBSA-N 1 0 383.492 3.569 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000515057174 850633766 /nfs/dbraw/zinc/63/37/66/850633766.db2.gz SCHOYDXDFNZVGX-AEFFLSMTSA-N 1 0 381.524 3.539 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCSC1 ZINC000443902617 862153823 /nfs/dbraw/zinc/15/38/23/862153823.db2.gz CLTREQIWBRSYEL-OAQYLSRUSA-N 1 0 396.516 3.909 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)cc1 ZINC000729434811 850672525 /nfs/dbraw/zinc/67/25/25/850672525.db2.gz RBODKDMBLJSJKY-LJQANCHMSA-N 1 0 381.476 3.540 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1=O)C(C)C ZINC000043852128 850720260 /nfs/dbraw/zinc/72/02/60/850720260.db2.gz PFQQHHLZWAFNSS-FQEVSTJZSA-N 1 0 384.524 3.634 20 30 GHEDRO CC[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000505349958 850846143 /nfs/dbraw/zinc/84/61/43/850846143.db2.gz MTWYYPQSUSJPHB-QFIPXVFZSA-N 1 0 391.490 3.682 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c(OC)c1 ZINC000604394702 862177085 /nfs/dbraw/zinc/17/70/85/862177085.db2.gz WXFMCQNYSAZWMH-NHCUHLMSSA-N 1 0 399.556 3.954 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNc2ccc(C#N)cc2)cc1 ZINC000604446441 862184289 /nfs/dbraw/zinc/18/42/89/862184289.db2.gz RGGWYCJWIUPPES-SFHVURJKSA-N 1 0 376.504 3.661 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(F)c1C#N)[NH+]1CCCCC1 ZINC000426618980 850975598 /nfs/dbraw/zinc/97/55/98/850975598.db2.gz OBMPFCFJATUNGW-HXUWFJFHSA-N 1 0 381.451 3.663 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(F)cc1C#N ZINC000487973227 851037985 /nfs/dbraw/zinc/03/79/85/851037985.db2.gz GWACJWLBQGZONJ-UHFFFAOYSA-N 1 0 385.512 3.796 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1nc2ccccc2n1C ZINC000440399348 851158783 /nfs/dbraw/zinc/15/87/83/851158783.db2.gz QRPINWJEDNDJKZ-KNQAVFIVSA-N 1 0 391.515 3.879 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000120795348 851256527 /nfs/dbraw/zinc/25/65/27/851256527.db2.gz CWQJPHFSBYBQRT-YADHBBJMSA-N 1 0 397.567 3.668 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000425478477 851287248 /nfs/dbraw/zinc/28/72/48/851287248.db2.gz PERTZOCXVRCFIY-GOSISDBHSA-N 1 0 385.508 3.863 20 30 GHEDRO CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000514203640 851406634 /nfs/dbraw/zinc/40/66/34/851406634.db2.gz KPJOBWSLWLAGIJ-LJQANCHMSA-N 1 0 398.482 3.544 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000425127351 851416170 /nfs/dbraw/zinc/41/61/70/851416170.db2.gz IWNAWZBXNJAQJZ-HXUWFJFHSA-N 1 0 390.531 3.680 20 30 GHEDRO CC(C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000473653433 851427307 /nfs/dbraw/zinc/42/73/07/851427307.db2.gz GMWMVPUWIBVODA-HSZRJFAPSA-N 1 0 387.527 3.789 20 30 GHEDRO CC(C)COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000522652884 862242311 /nfs/dbraw/zinc/24/23/11/862242311.db2.gz HSAVWSUTHPMOAM-UHFFFAOYSA-N 1 0 395.507 3.584 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000425132769 851473418 /nfs/dbraw/zinc/47/34/18/851473418.db2.gz RMFLSDWRFQFBDH-LJQANCHMSA-N 1 0 390.531 3.922 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)cc1OCCCC#N ZINC000436370273 851525517 /nfs/dbraw/zinc/52/55/17/851525517.db2.gz MASLMYLXBDZOTK-IBGZPJMESA-N 1 0 379.504 3.776 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1c(F)cc(OCC)cc1F)C2 ZINC001143569248 851534396 /nfs/dbraw/zinc/53/43/96/851534396.db2.gz YCMAGQIDTAOSEL-NHCUHLMSSA-N 1 0 381.463 3.937 20 30 GHEDRO Cc1cc(CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc(N2CCCC2)n1 ZINC000425552587 851633390 /nfs/dbraw/zinc/63/33/90/851633390.db2.gz QQCOTGSKBIQOLK-KRWDZBQOSA-N 1 0 377.492 3.765 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nn2cc(C3CCCC3)nc2s1 ZINC000436446263 851634313 /nfs/dbraw/zinc/63/43/13/851634313.db2.gz XUVDNPMCHVJTOO-UHFFFAOYSA-N 1 0 394.548 3.888 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)NCc1ccco1 ZINC000111399461 851648918 /nfs/dbraw/zinc/64/89/18/851648918.db2.gz ILZFIWFUUXUXIN-KRWDZBQOSA-N 1 0 389.455 3.525 20 30 GHEDRO CC[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000550163530 851783577 /nfs/dbraw/zinc/78/35/77/851783577.db2.gz RWZANLJQEKVYHO-JOCHJYFZSA-N 1 0 390.531 3.508 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570252912 851798771 /nfs/dbraw/zinc/79/87/71/851798771.db2.gz NBCHLMRYRXIGAS-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000438002155 851937276 /nfs/dbraw/zinc/93/72/76/851937276.db2.gz SUEOOCSJQCWEGD-IHPCNDPISA-N 1 0 391.943 3.757 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438152883 852065527 /nfs/dbraw/zinc/06/55/27/852065527.db2.gz JCNFQIBYYJHLQD-QFIPXVFZSA-N 1 0 398.551 3.513 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)C[C@H]1[NH+]1CCCC1 ZINC000329779462 862317233 /nfs/dbraw/zinc/31/72/33/862317233.db2.gz LXXIEHIAAZUQFK-JEDBISTDSA-N 1 0 387.549 3.582 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccsc1 ZINC000912270060 852166021 /nfs/dbraw/zinc/16/60/21/852166021.db2.gz MQEQYZZDRQDMIY-UHFFFAOYSA-N 1 0 376.551 3.529 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000516200707 852262383 /nfs/dbraw/zinc/26/23/83/852262383.db2.gz BQSFTVCZGSJKTB-OAQYLSRUSA-N 1 0 394.421 3.955 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000489376382 852280007 /nfs/dbraw/zinc/28/00/07/852280007.db2.gz WEXOENZYLSEZMC-OAQYLSRUSA-N 1 0 377.488 3.549 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCc4nn(C)cc43)cc2)C[C@H](C)O1 ZINC000329816186 862340841 /nfs/dbraw/zinc/34/08/41/862340841.db2.gz DVFVKCBEIWSNSF-FUHIMQAGSA-N 1 0 396.535 3.606 20 30 GHEDRO CC(C)(C)[NH+]=C(NCCc1cccs1)NC[C@@H]1COC2(CCCCC2)O1 ZINC000912506368 852312274 /nfs/dbraw/zinc/31/22/74/852312274.db2.gz MFXYNOOBILMZKA-MRXNPFEDSA-N 1 0 379.570 3.700 20 30 GHEDRO Cc1cc(C)n(-c2ccccc2CNC(NC(C)(C)C)=[NH+]C[C@@H]2CCCO2)n1 ZINC000912508794 852313300 /nfs/dbraw/zinc/31/33/00/852313300.db2.gz QMGMVLHDKDNMEC-IBGZPJMESA-N 1 0 383.540 3.502 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000506231818 852392849 /nfs/dbraw/zinc/39/28/49/852392849.db2.gz HMJPHSFLABVAQJ-UHFFFAOYSA-N 1 0 385.895 3.862 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCC(C)CC1 ZINC000517786665 852427638 /nfs/dbraw/zinc/42/76/38/852427638.db2.gz CBAHVAISLUSODU-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425684150 852630388 /nfs/dbraw/zinc/63/03/88/852630388.db2.gz VUBKGOILNUDJFS-XJKSGUPXSA-N 1 0 394.313 3.572 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1C(F)(F)F ZINC000438641118 852663039 /nfs/dbraw/zinc/66/30/39/852663039.db2.gz KLHMNWGDYCFEOU-UHFFFAOYSA-N 1 0 388.393 3.757 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437092425 852724764 /nfs/dbraw/zinc/72/47/64/852724764.db2.gz MBNKGJWUAGONSS-MYWSLZCHSA-N 1 0 396.466 3.789 20 30 GHEDRO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507298456 852760616 /nfs/dbraw/zinc/76/06/16/852760616.db2.gz TYKDQHUIZYKQBW-MOPGFXCFSA-N 1 0 390.531 3.509 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000490085992 852763048 /nfs/dbraw/zinc/76/30/48/852763048.db2.gz FONUDDAFWFPENK-OAHLLOKOSA-N 1 0 383.330 3.726 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(C)(C)CC(C)(C)C1 ZINC000669032637 852764327 /nfs/dbraw/zinc/76/43/27/852764327.db2.gz QBUIGDFFNOFRQE-MSOLQXFVSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000669032449 852767222 /nfs/dbraw/zinc/76/72/22/852767222.db2.gz KVAURFGNLYYPPH-HCXYKTFWSA-N 1 0 387.572 3.651 20 30 GHEDRO C=CCc1cc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(O)c(OC)c1 ZINC000912859356 852812671 /nfs/dbraw/zinc/81/26/71/852812671.db2.gz NVXOXYPSOGLBQJ-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000329896685 862405369 /nfs/dbraw/zinc/40/53/69/862405369.db2.gz KZIRTZKVGWWFBK-UHFFFAOYSA-N 1 0 389.565 3.984 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000507422607 852901142 /nfs/dbraw/zinc/90/11/42/852901142.db2.gz BYMWFRISACCISA-VGSWGCGISA-N 1 0 385.471 3.590 20 30 GHEDRO CC(C)(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(F)cc(C#N)c1 ZINC000506011307 852947155 /nfs/dbraw/zinc/94/71/55/852947155.db2.gz AODINLYRHDZTHG-OAQYLSRUSA-N 1 0 379.479 3.928 20 30 GHEDRO Cc1c([C@H]2OCC[C@@H]2C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000329906127 862412194 /nfs/dbraw/zinc/41/21/94/862412194.db2.gz RXOFMAKFORWJCI-HIRMHNASSA-N 1 0 376.545 3.519 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCO[C@H](CC(C)C)C3)c2)CC1 ZINC000329914590 862418591 /nfs/dbraw/zinc/41/85/91/862418591.db2.gz CORPQNSCWMKYAK-PZJWPPBQSA-N 1 0 388.556 3.557 20 30 GHEDRO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000490547942 853083940 /nfs/dbraw/zinc/08/39/40/853083940.db2.gz RWGXMKRTCWQMSZ-FCEUIQTBSA-N 1 0 378.520 3.984 20 30 GHEDRO Cc1cccc(C(=O)NCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000518266175 853137044 /nfs/dbraw/zinc/13/70/44/853137044.db2.gz OMRCTXVCYWGWLP-UHFFFAOYSA-N 1 0 399.494 3.965 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cc(=O)[nH]c(C4CC4)c3)CCCCC2)CCO1 ZINC000329938620 862440467 /nfs/dbraw/zinc/44/04/67/862440467.db2.gz SPYCUEDBKNFLHB-UHFFFAOYSA-N 1 0 387.524 3.783 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425822284 853226258 /nfs/dbraw/zinc/22/62/58/853226258.db2.gz JHSKURAVVTZDPW-KRWDZBQOSA-N 1 0 392.503 3.558 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425822285 853226665 /nfs/dbraw/zinc/22/66/65/853226665.db2.gz JHSKURAVVTZDPW-QGZVFWFLSA-N 1 0 392.503 3.558 20 30 GHEDRO CCN(C(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473875199 853267024 /nfs/dbraw/zinc/26/70/24/853267024.db2.gz JMDJLVNYEZVODB-GCJKJVERSA-N 1 0 376.504 3.925 20 30 GHEDRO C[NH+](C)C1(C)CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000913399264 853314966 /nfs/dbraw/zinc/31/49/66/853314966.db2.gz YNEWRRUCCWJNEN-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCN1CC[C@H]([NH+]2CCC(C)(c3ccc(Br)cc3)CC2)C1=O ZINC000440520406 853332300 /nfs/dbraw/zinc/33/23/00/853332300.db2.gz PGIFYNZOWFDXEK-KRWDZBQOSA-N 1 0 377.326 3.590 20 30 GHEDRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329965904 862463980 /nfs/dbraw/zinc/46/39/80/862463980.db2.gz UOPIBDJZKXBSNE-LXZKKBNFSA-N 1 0 381.904 3.706 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)CC1 ZINC000763986564 862467444 /nfs/dbraw/zinc/46/74/44/862467444.db2.gz GEPVAGCLCBTLKB-UHFFFAOYSA-N 1 0 377.460 3.553 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000586806792 853536927 /nfs/dbraw/zinc/53/69/27/853536927.db2.gz MMVOXEVARYRJHP-KJXAQDMKSA-N 1 0 391.490 3.657 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCN(c4ccc(F)c(F)c4)C3)CC2)cc1 ZINC000586789258 853548927 /nfs/dbraw/zinc/54/89/27/853548927.db2.gz AGISKMYRLRNCBH-GOSISDBHSA-N 1 0 396.485 3.921 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1C)C(=S)NC[C@H]1CCCO1 ZINC000055011330 853628160 /nfs/dbraw/zinc/62/81/60/853628160.db2.gz HBCFCLBBGLDVEM-GOSISDBHSA-O 1 0 383.537 3.552 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC(C)(C)C)cc1 ZINC000055014438 853630482 /nfs/dbraw/zinc/63/04/82/853630482.db2.gz OHZNKCZKHFJGHO-UHFFFAOYSA-O 1 0 396.580 3.856 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c1C#N ZINC000425928139 853643420 /nfs/dbraw/zinc/64/34/20/853643420.db2.gz LCVRNWJXGAEAEA-QRQCRPRQSA-N 1 0 386.540 3.513 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044566427 853661458 /nfs/dbraw/zinc/66/14/58/853661458.db2.gz KLLLIPBMEDBBFB-MSOLQXFVSA-N 1 0 381.442 3.817 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C#N ZINC000571023976 853690571 /nfs/dbraw/zinc/69/05/71/853690571.db2.gz FJMGZQRMAPIUGK-WFASDCNBSA-N 1 0 375.523 3.589 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000571039956 853702171 /nfs/dbraw/zinc/70/21/71/853702171.db2.gz ULBIKXJBLZADMP-AEFFLSMTSA-N 1 0 393.915 3.668 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[N@@H+]1C1CC1 ZINC000440930240 853761828 /nfs/dbraw/zinc/76/18/28/853761828.db2.gz GFIWFRXLVFNLGA-LPHOPBHVSA-N 1 0 375.472 3.900 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2nc(C#N)cs2)c1 ZINC000571211661 853827027 /nfs/dbraw/zinc/82/70/27/853827027.db2.gz KZBDVYVNMQAJKC-ZDUSSCGKSA-N 1 0 387.484 3.579 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cccc(CC#N)c1 ZINC000044770653 853834074 /nfs/dbraw/zinc/83/40/74/853834074.db2.gz IJHZTHMEBAFVKV-JOCHJYFZSA-N 1 0 375.516 3.955 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055406259 853906115 /nfs/dbraw/zinc/90/61/15/853906115.db2.gz YFJRIVJRVIOBRD-IAGOWNOFSA-N 1 0 381.476 3.580 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000481914861 862512107 /nfs/dbraw/zinc/51/21/07/862512107.db2.gz UTMBQPNDWJYCOL-ZEQRLZLVSA-N 1 0 375.516 3.989 20 30 GHEDRO CN(C)c1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000151395819 853924677 /nfs/dbraw/zinc/92/46/77/853924677.db2.gz FYEOYZFJNHMDHP-UHFFFAOYSA-N 1 0 399.926 3.873 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000520331198 854087225 /nfs/dbraw/zinc/08/72/25/854087225.db2.gz XQSDKKMVLNIDFW-UHFFFAOYSA-N 1 0 378.476 3.690 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)CC1 ZINC000481950721 862544999 /nfs/dbraw/zinc/54/49/99/862544999.db2.gz DOQOQYYXBRUQRZ-UHFFFAOYSA-N 1 0 393.413 3.663 20 30 GHEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc2)c1 ZINC000112542490 854246194 /nfs/dbraw/zinc/24/61/94/854246194.db2.gz QEDFRRWYGSIWHK-RBUKOAKNSA-N 1 0 379.504 3.985 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cn3c(n2)CCCC3)CC1 ZINC000328722134 854503830 /nfs/dbraw/zinc/50/38/30/854503830.db2.gz RQUUJGWUADENRO-MRXNPFEDSA-N 1 0 399.514 3.566 20 30 GHEDRO Cc1cnn(-c2c(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)c(C)nn2C)c1 ZINC000328693265 854511911 /nfs/dbraw/zinc/51/19/11/854511911.db2.gz FQQCNZJWDXASOE-UHFFFAOYSA-N 1 0 398.555 3.574 20 30 GHEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1csc([C@H]2CCCO2)n1 ZINC000328748385 854526732 /nfs/dbraw/zinc/52/67/32/854526732.db2.gz BGXFUHPBYAFGFT-GOSISDBHSA-N 1 0 387.505 3.588 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cn21 ZINC000328754897 854529156 /nfs/dbraw/zinc/52/91/56/854529156.db2.gz SNECWTILVWHRHK-ZWKOTPCHSA-N 1 0 398.555 3.985 20 30 GHEDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000328818086 854548464 /nfs/dbraw/zinc/54/84/64/854548464.db2.gz GYLHVRUVLKXINE-SFTDATJTSA-N 1 0 383.536 3.819 20 30 GHEDRO CN1CC[C@H](NC(=O)NCC2(CCO)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328826949 854552716 /nfs/dbraw/zinc/55/27/16/854552716.db2.gz JLZWTVZPGCLAJN-ZWKOTPCHSA-N 1 0 397.922 3.671 20 30 GHEDRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000328792647 854559038 /nfs/dbraw/zinc/55/90/38/854559038.db2.gz RMIQGLLIUQZDCN-YJBOKZPZSA-N 1 0 389.565 3.965 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000624004160 862578771 /nfs/dbraw/zinc/57/87/71/862578771.db2.gz XNNDAPYZVDRCFQ-MMOPVJDHSA-N 1 0 386.517 3.729 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c2ccccc2)CC1 ZINC000328854790 854578790 /nfs/dbraw/zinc/57/87/90/854578790.db2.gz CLGFRQBQGLLMPD-LEWJYISDSA-N 1 0 395.551 3.976 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)[C@H]1c1cccs1 ZINC000328882695 854596250 /nfs/dbraw/zinc/59/62/50/854596250.db2.gz MWPSWNFILVQVOH-RGCFKVTRSA-N 1 0 390.553 3.532 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000328900034 854601477 /nfs/dbraw/zinc/60/14/77/854601477.db2.gz XWHUJEKGLMBFKP-LJQANCHMSA-N 1 0 389.540 3.509 20 30 GHEDRO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000328947244 854612197 /nfs/dbraw/zinc/61/21/97/854612197.db2.gz GTGVDBXLERBOAT-COCVIAQXSA-N 1 0 378.538 3.637 20 30 GHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328967155 854635722 /nfs/dbraw/zinc/63/57/22/854635722.db2.gz NGVVJOBGWFJWBU-NUXSTSAWSA-N 1 0 390.568 3.552 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnn1-c1cccc(C)c1 ZINC000328976272 854638500 /nfs/dbraw/zinc/63/85/00/854638500.db2.gz WJPJMQBXJLUWNU-YADHBBJMSA-N 1 0 396.535 3.562 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000458911036 854656494 /nfs/dbraw/zinc/65/64/94/854656494.db2.gz ZKAMHCUCEKGADH-HXUWFJFHSA-N 1 0 382.533 3.724 20 30 GHEDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(Br)cc1Br ZINC000330692119 854715746 /nfs/dbraw/zinc/71/57/46/854715746.db2.gz RNFUGWWFQLEVHC-UHFFFAOYSA-N 1 0 379.096 3.536 20 30 GHEDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cn(CCCC#N)c4ccccc34)n1)OC2 ZINC000589155175 854729589 /nfs/dbraw/zinc/72/95/89/854729589.db2.gz QRVSBNLOHHFVEE-KNQAVFIVSA-N 1 0 391.475 3.921 20 30 GHEDRO CC(C)([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Br)cc1 ZINC000330735234 854752137 /nfs/dbraw/zinc/75/21/37/854752137.db2.gz MDRJAHQVWNUOMR-UHFFFAOYSA-N 1 0 378.314 3.616 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000589261219 854765258 /nfs/dbraw/zinc/76/52/58/854765258.db2.gz FUTMNPPRTDWTEQ-IXDOHACOSA-N 1 0 375.538 3.502 20 30 GHEDRO CSCC1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000458930445 854770854 /nfs/dbraw/zinc/77/08/54/854770854.db2.gz LFBWXJQTLJXMIR-UHFFFAOYSA-N 1 0 388.581 3.553 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(C)C ZINC000498360488 854819517 /nfs/dbraw/zinc/81/95/17/854819517.db2.gz QWMXIMOXWDWFGZ-FQEVSTJZSA-N 1 0 395.551 3.583 20 30 GHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@]2(CCCOC2)O1 ZINC000330140278 862608642 /nfs/dbraw/zinc/60/86/42/862608642.db2.gz WVHXOAYOYNFPLB-KBXCAEBGSA-N 1 0 397.313 3.697 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C[C@@H]1C ZINC000331252641 854833132 /nfs/dbraw/zinc/83/31/32/854833132.db2.gz UQTSZWQVDBNZII-GOEBONIOSA-N 1 0 376.501 3.707 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000589573548 855016343 /nfs/dbraw/zinc/01/63/43/855016343.db2.gz DIZBVJGYQIYCHM-INIZCTEOSA-N 1 0 380.448 3.778 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CCCCC)C(C)C ZINC000669334457 855034744 /nfs/dbraw/zinc/03/47/44/855034744.db2.gz FNSBPVCHRUKQCZ-MOPGFXCFSA-N 1 0 375.561 3.795 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1C ZINC000589743956 855120362 /nfs/dbraw/zinc/12/03/62/855120362.db2.gz SGLSNUKVDATHAS-YMPZKCBVSA-N 1 0 397.563 3.956 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C)c2)c1C#N ZINC000273268267 855124498 /nfs/dbraw/zinc/12/44/98/855124498.db2.gz FXRPYZSLDUYXOK-HNNXBMFYSA-N 1 0 382.512 3.505 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2O)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000669342059 855139214 /nfs/dbraw/zinc/13/92/14/855139214.db2.gz JRGZFULSXSCXDJ-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054643278 855177499 /nfs/dbraw/zinc/17/74/99/855177499.db2.gz CSKOIKMKXROCIE-FQEVSTJZSA-N 1 0 390.531 3.710 20 30 GHEDRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330199166 862655957 /nfs/dbraw/zinc/65/59/57/862655957.db2.gz UZHBZGDZQYJHHQ-DGCLKSJQSA-N 1 0 379.917 3.755 20 30 GHEDRO Cc1nc(-c2cc3c(s2)CCN(C([O-])=[NH+][C@@H]2CCn4ccnc4C2)C3)cs1 ZINC000330198153 862656044 /nfs/dbraw/zinc/65/60/44/862656044.db2.gz SVNPOBHGGULRBH-CQSZACIVSA-N 1 0 399.545 3.664 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000330207618 862661957 /nfs/dbraw/zinc/66/19/57/862661957.db2.gz AJECFNOORQASHK-MZYLBHOOSA-N 1 0 399.579 3.623 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(F)c(Br)c1 ZINC000590192525 855315673 /nfs/dbraw/zinc/31/56/73/855315673.db2.gz DXTCEDSDWTTXHW-GFCCVEGCSA-N 1 0 382.277 3.581 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590194660 855317003 /nfs/dbraw/zinc/31/70/03/855317003.db2.gz BNHBDSXHCRPPCI-WFASDCNBSA-N 1 0 393.256 3.550 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)ccc1Cl ZINC000542685749 855431573 /nfs/dbraw/zinc/43/15/73/855431573.db2.gz CCWJYCVNQCEFFL-UHFFFAOYSA-N 1 0 379.891 3.875 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(C#N)cc1 ZINC000553799770 855445957 /nfs/dbraw/zinc/44/59/57/855445957.db2.gz QMSZJWWDXZGBEF-NTKDMRAZSA-N 1 0 388.515 3.927 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000465644000 855487695 /nfs/dbraw/zinc/48/76/95/855487695.db2.gz XVEBCBKLXJIDQA-VXKWHMMOSA-N 1 0 376.504 3.730 20 30 GHEDRO CC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[C@H]1c1ccccc1 ZINC000330243012 862687914 /nfs/dbraw/zinc/68/79/14/862687914.db2.gz WPGWIGDXWCGOGI-HWHRFOGPSA-N 1 0 399.579 3.794 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466603056 862688576 /nfs/dbraw/zinc/68/85/76/862688576.db2.gz WSJSXMCIVLVXDG-MJGOQNOKSA-N 1 0 393.491 3.721 20 30 GHEDRO N#Cc1cc2c(nc1N[C@@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCOC2 ZINC000590696927 855551715 /nfs/dbraw/zinc/55/17/15/855551715.db2.gz NBAZXVKEJRGTJT-QTGUNEKASA-N 1 0 388.515 3.739 20 30 GHEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330259345 862700690 /nfs/dbraw/zinc/70/06/90/862700690.db2.gz NHPXMRVHGVHUIC-KXBFYZLASA-N 1 0 389.540 3.701 20 30 GHEDRO CN(C(=O)c1cc2ccccc2n1CC#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000590889417 855626617 /nfs/dbraw/zinc/62/66/17/855626617.db2.gz KGOZOSOHKNAQGT-UHFFFAOYSA-N 1 0 392.425 3.654 20 30 GHEDRO CCc1nnc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1CC ZINC000301735089 855750222 /nfs/dbraw/zinc/75/02/22/855750222.db2.gz ZOWGLTRUUVDVNQ-XXBNENTESA-N 1 0 389.547 3.964 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H]1CCO[C@H](c3ccc(OC)cc3)C1)CCC2 ZINC001168645228 855772376 /nfs/dbraw/zinc/77/23/76/855772376.db2.gz RTXCTNPDWPNIAP-XXBNENTESA-N 1 0 397.519 3.720 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301887343 855776167 /nfs/dbraw/zinc/77/61/67/855776167.db2.gz QSRDZJHTBFRCCG-QZTJIDSGSA-N 1 0 375.394 3.624 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000108592569 855950641 /nfs/dbraw/zinc/95/06/41/855950641.db2.gz ZQPRJDNCWZJNKL-GGAORHGYSA-N 1 0 391.515 3.742 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)COc3ccccc3C#N)cc2)C1 ZINC000057585578 855961347 /nfs/dbraw/zinc/96/13/47/855961347.db2.gz CRTXSCYNQCVQDV-RTBURBONSA-N 1 0 391.515 3.731 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCO[C@H](c3ccc(OC)cc3)C1)CC2 ZINC001168651538 855983546 /nfs/dbraw/zinc/98/35/46/855983546.db2.gz WSOVYECMMBSDNI-SFLYRZDNSA-N 1 0 398.547 3.948 20 30 GHEDRO Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000026597650 855993836 /nfs/dbraw/zinc/99/38/36/855993836.db2.gz DBYILIRUGCMOBU-SFHVURJKSA-N 1 0 387.487 3.796 20 30 GHEDRO N#CCCN(C(=O)CN1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000045807141 856028557 /nfs/dbraw/zinc/02/85/57/856028557.db2.gz XZYNTJWWKXMINP-UHFFFAOYSA-N 1 0 382.552 3.521 20 30 GHEDRO NC(=O)C1(c2ccccc2)CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000674250876 856048149 /nfs/dbraw/zinc/04/81/49/856048149.db2.gz IMSXLWXUVMLEAJ-UHFFFAOYSA-N 1 0 386.417 3.576 20 30 GHEDRO O[C@H](CC[C@H](O)C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000905026267 856137797 /nfs/dbraw/zinc/13/77/97/856137797.db2.gz RLPYEUREOWAYPZ-VQTJNVASSA-N 1 0 377.406 3.521 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482147086 862762964 /nfs/dbraw/zinc/76/29/64/862762964.db2.gz XOGFHUUFASJPIU-FQEVSTJZSA-N 1 0 398.576 3.921 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)cc1 ZINC000554841640 856219378 /nfs/dbraw/zinc/21/93/78/856219378.db2.gz LCAJWOQOABPPRZ-AWEZNQCLSA-N 1 0 386.293 3.630 20 30 GHEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000591727751 856234220 /nfs/dbraw/zinc/23/42/20/856234220.db2.gz FWBUYVZWRGLALY-FXAWDEMLSA-N 1 0 392.330 3.879 20 30 GHEDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000280962601 862778018 /nfs/dbraw/zinc/77/80/18/862778018.db2.gz KQBCNYSVRROSRC-GUYCJALGSA-N 1 0 380.366 3.872 20 30 GHEDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000280962598 862778333 /nfs/dbraw/zinc/77/83/33/862778333.db2.gz KQBCNYSVRROSRC-DYVFJYSZSA-N 1 0 380.366 3.872 20 30 GHEDRO C/C=C\c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000591765902 856289454 /nfs/dbraw/zinc/28/94/54/856289454.db2.gz QFXJPSRKWKSSDL-DDKKJVIOSA-N 1 0 386.879 3.783 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000674511606 856354116 /nfs/dbraw/zinc/35/41/16/856354116.db2.gz FQYREMXEQFZBEG-UHFFFAOYSA-N 1 0 378.394 3.922 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]([NH+]3CCN(c4ccc(C#N)cc4F)CC3)CCO2)cc1 ZINC001168666448 856354315 /nfs/dbraw/zinc/35/43/15/856354315.db2.gz VXRVAGHJPRURGO-WMZHIEFXSA-N 1 0 395.478 3.748 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000591865454 856393132 /nfs/dbraw/zinc/39/31/32/856393132.db2.gz YXYCFOYHRPXUFA-LAUBAEHRSA-N 1 0 376.460 3.908 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000520767319 856395136 /nfs/dbraw/zinc/39/51/36/856395136.db2.gz LOJUXTIRCQXCOP-SFHVURJKSA-N 1 0 390.409 3.785 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000765928036 856411285 /nfs/dbraw/zinc/41/12/85/856411285.db2.gz KDMUAYFOSLJJEZ-WMZOPIPTSA-N 1 0 399.922 3.846 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)s3)C2=O)cc1 ZINC000485386587 856424993 /nfs/dbraw/zinc/42/49/93/856424993.db2.gz QHTBBBCOCCKVRM-HNNXBMFYSA-N 1 0 390.306 3.667 20 30 GHEDRO C=CCCn1cc(CNc2cc(Cl)ccc2OC2CC[NH+](C)CC2)nn1 ZINC000656119560 856427073 /nfs/dbraw/zinc/42/70/73/856427073.db2.gz SXEKEYCDBDDDLV-UHFFFAOYSA-N 1 0 375.904 3.593 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000181215147 862800701 /nfs/dbraw/zinc/80/07/01/862800701.db2.gz KVQUVOJJZMQVJZ-AWEZNQCLSA-N 1 0 396.434 3.779 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000624842503 856479407 /nfs/dbraw/zinc/47/94/07/856479407.db2.gz USHAQLHJAJCFKV-SFHLNBCPSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000624842502 856479909 /nfs/dbraw/zinc/47/99/09/856479909.db2.gz USHAQLHJAJCFKV-QKNQBKEWSA-N 1 0 395.551 3.805 20 30 GHEDRO N#Cc1ccccc1OCC[NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000592145097 856677602 /nfs/dbraw/zinc/67/76/02/856677602.db2.gz OTZSJDBYBGPDQR-KRWDZBQOSA-N 1 0 380.366 3.549 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000058422558 856771995 /nfs/dbraw/zinc/77/19/95/856771995.db2.gz CIYQIKBIJZTQCE-UHFFFAOYSA-N 1 0 398.429 3.837 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c(OC)c1 ZINC000605153859 862840828 /nfs/dbraw/zinc/84/08/28/862840828.db2.gz CWCOKEOIFDKYHO-REWPJTCUSA-N 1 0 399.556 3.954 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CC[N@H+](C)C1 ZINC000592220370 856876323 /nfs/dbraw/zinc/87/63/23/856876323.db2.gz HPBPVKOQFOPMGH-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2C)CC1 ZINC000111495936 856936150 /nfs/dbraw/zinc/93/61/50/856936150.db2.gz BYRGVFHLFKZSDX-UHFFFAOYSA-N 1 0 380.330 3.597 20 30 GHEDRO C[C@@H]1CCN(C(=O)CSc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173515164 856968765 /nfs/dbraw/zinc/96/87/65/856968765.db2.gz VXTDVCJXNCPWDS-GOSISDBHSA-N 1 0 379.529 3.773 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000281125910 862857866 /nfs/dbraw/zinc/85/78/66/862857866.db2.gz XZBBUMNMMQEXLY-UHOSZYNNSA-N 1 0 375.900 3.556 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000733322759 862864283 /nfs/dbraw/zinc/86/42/83/862864283.db2.gz UEBBARAHPVCHSO-DEOSSOPVSA-N 1 0 378.516 3.560 20 30 GHEDRO CC(C)[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)cc1 ZINC000063750365 857050648 /nfs/dbraw/zinc/05/06/48/857050648.db2.gz PGCFRVYUBVAHIW-UHFFFAOYSA-N 1 0 386.517 3.641 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)cc1 ZINC000733324799 862865928 /nfs/dbraw/zinc/86/59/28/862865928.db2.gz YOBUUOYAISLLMJ-UHFFFAOYSA-N 1 0 388.467 3.971 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000064381145 857139092 /nfs/dbraw/zinc/13/90/92/857139092.db2.gz XPJCQRBJSPDKGX-UHFFFAOYSA-N 1 0 376.913 3.771 20 30 GHEDRO CC(C)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H](O)c1ccc(F)cc1 ZINC000173800453 857154301 /nfs/dbraw/zinc/15/43/01/857154301.db2.gz WENUWXVZSSUGMP-HXUWFJFHSA-N 1 0 394.450 3.939 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000508324920 857166065 /nfs/dbraw/zinc/16/60/65/857166065.db2.gz LPTVCRZLKOYUEU-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000766109882 857186547 /nfs/dbraw/zinc/18/65/47/857186547.db2.gz UAZIJCKSJBXIRB-LIRRHRJNSA-N 1 0 387.863 3.507 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000174057479 857203074 /nfs/dbraw/zinc/20/30/74/857203074.db2.gz WFXDYOKIXGOFKS-OAHLLOKOSA-N 1 0 391.562 3.544 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 ZINC000246139851 857247275 /nfs/dbraw/zinc/24/72/75/857247275.db2.gz AVFTVOKTQCZUAG-XMSQKQJNSA-N 1 0 390.531 3.767 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOc3ccccc3Cl)CC2)cc1 ZINC000046325424 857300022 /nfs/dbraw/zinc/30/00/22/857300022.db2.gz IWZWDALBAYDJGZ-UHFFFAOYSA-N 1 0 397.906 3.715 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000906792231 857318344 /nfs/dbraw/zinc/31/83/44/857318344.db2.gz JISJBYWMIPMUJJ-AVRDEDQJSA-N 1 0 381.545 3.978 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000174493017 857325991 /nfs/dbraw/zinc/32/59/91/857325991.db2.gz JDTJIIXXXYPJLI-LJQANCHMSA-N 1 0 377.488 3.551 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1F ZINC000174495884 857327351 /nfs/dbraw/zinc/32/73/51/857327351.db2.gz WXRWBYCDOUTZDB-UHFFFAOYSA-N 1 0 380.423 3.802 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000593070323 857334329 /nfs/dbraw/zinc/33/43/29/857334329.db2.gz WLKSOQVZCVNQRX-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000246292011 857343848 /nfs/dbraw/zinc/34/38/48/857343848.db2.gz BCDMFWSGJWSIEP-WZONZLPQSA-N 1 0 391.515 3.937 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](c4ccnc(N)n4)C3)c2)c1 ZINC000520893586 857372780 /nfs/dbraw/zinc/37/27/80/857372780.db2.gz YFHXEXFUDZAXSB-NRFANRHFSA-N 1 0 399.498 3.719 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000058935724 857378111 /nfs/dbraw/zinc/37/81/11/857378111.db2.gz SBFKBHBDCUPYAS-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)CCOCC1 ZINC000499552183 857408681 /nfs/dbraw/zinc/40/86/81/857408681.db2.gz KAMPMBILJVXXSU-LJQANCHMSA-N 1 0 395.503 3.728 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000175120714 857443783 /nfs/dbraw/zinc/44/37/83/857443783.db2.gz KBAGQLFOZUCYFF-QGZVFWFLSA-N 1 0 394.494 3.929 20 30 GHEDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593282209 857448470 /nfs/dbraw/zinc/44/84/70/857448470.db2.gz XWTYNKRBWMUACZ-IBGZPJMESA-N 1 0 397.544 3.559 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)NCC2CCC(C#N)CC2)CCOCC1)c1ccccc1 ZINC000442148773 857548490 /nfs/dbraw/zinc/54/84/90/857548490.db2.gz NOOIFMQALRUHED-XEVCZEQESA-N 1 0 398.551 3.516 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCC1(C#N)CCCC1)c1cccc(C(F)(F)F)c1 ZINC000593391705 857566185 /nfs/dbraw/zinc/56/61/85/857566185.db2.gz DJKJZBHKYXEFSS-MRXNPFEDSA-N 1 0 382.430 3.691 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181588168 862931268 /nfs/dbraw/zinc/93/12/68/862931268.db2.gz UNDLWCGOIQMXQV-RBBKRZOGSA-N 1 0 385.458 3.893 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442182070 857590991 /nfs/dbraw/zinc/59/09/91/857590991.db2.gz FRCWNWFWZGFGGM-UHFFFAOYSA-N 1 0 384.402 3.797 20 30 GHEDRO C[C@H](NC(=O)c1ccc(Br)cc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC001128299156 857608402 /nfs/dbraw/zinc/60/84/02/857608402.db2.gz IDFZOJWEKSPGCY-UGSOOPFHSA-N 1 0 386.293 3.742 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000593542040 857617994 /nfs/dbraw/zinc/61/79/94/857617994.db2.gz GNQCMUJERGTGJP-QGZVFWFLSA-N 1 0 399.560 3.895 20 30 GHEDRO C[NH+](C)Cc1ccccc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000486301179 857637817 /nfs/dbraw/zinc/63/78/17/857637817.db2.gz SQBWGFPAABBMPS-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO CCCc1c(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000438913793 857652767 /nfs/dbraw/zinc/65/27/67/857652767.db2.gz ULEYZGLDRKVRBX-QGZVFWFLSA-N 1 0 394.523 3.692 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000593987588 857817672 /nfs/dbraw/zinc/81/76/72/857817672.db2.gz UKRLVMZHYSAAIO-MSYCTHLASA-N 1 0 375.516 3.764 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCCCO1 ZINC000594042368 857851038 /nfs/dbraw/zinc/85/10/38/857851038.db2.gz IOCOADBKZWHZEN-MOPGFXCFSA-N 1 0 377.916 3.832 20 30 GHEDRO Cc1nc2cc(F)ccc2cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930782 857882462 /nfs/dbraw/zinc/88/24/62/857882462.db2.gz INZDWGQTPPAQGU-UHFFFAOYSA-N 1 0 390.462 3.758 20 30 GHEDRO C#Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001129225550 857932934 /nfs/dbraw/zinc/93/29/34/857932934.db2.gz YVDUETCLTHUIAY-OAQYLSRUSA-N 1 0 386.417 3.739 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000521450919 858010829 /nfs/dbraw/zinc/01/08/29/858010829.db2.gz OWRVDNDALYTIGT-QGZVFWFLSA-N 1 0 395.551 3.592 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000521514263 858065268 /nfs/dbraw/zinc/06/52/68/858065268.db2.gz QBVQIRUITKDBRQ-UHFFFAOYSA-N 1 0 383.492 3.770 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000574647289 858104560 /nfs/dbraw/zinc/10/45/60/858104560.db2.gz QGVLEYUKUGHOGR-IAGOWNOFSA-N 1 0 391.475 3.599 20 30 GHEDRO Cn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000330338590 862987903 /nfs/dbraw/zinc/98/79/03/862987903.db2.gz VPBAGPZFKRCAMK-HLAWJBBLSA-N 1 0 382.508 3.509 20 30 GHEDRO COc1cccc([C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2Cl)c1 ZINC000594433074 858175552 /nfs/dbraw/zinc/17/55/52/858175552.db2.gz KSZKTLNLWDZKAT-VQTJNVASSA-N 1 0 385.895 3.965 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000594436106 858177445 /nfs/dbraw/zinc/17/74/45/858177445.db2.gz HRHAXEBPSCOTEP-GFCCVEGCSA-N 1 0 381.914 3.692 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000594456523 858181274 /nfs/dbraw/zinc/18/12/74/858181274.db2.gz PPSBHTWECFPAEZ-QZTJIDSGSA-N 1 0 399.470 3.731 20 30 GHEDRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426697 858185584 /nfs/dbraw/zinc/18/55/84/858185584.db2.gz FZJHAYLNKZVWDP-MRXNPFEDSA-N 1 0 384.293 3.736 20 30 GHEDRO CC(C)(C#N)c1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000594494825 858191119 /nfs/dbraw/zinc/19/11/19/858191119.db2.gz ICTFJPVWIKGSID-UHFFFAOYSA-N 1 0 390.531 3.797 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000594502404 858194563 /nfs/dbraw/zinc/19/45/63/858194563.db2.gz NYDDHGYXLKWIMA-HSZRJFAPSA-N 1 0 377.532 3.521 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000594533846 858212929 /nfs/dbraw/zinc/21/29/29/858212929.db2.gz QOUYYPLYNJATCY-INIZCTEOSA-N 1 0 376.460 3.895 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000673137120 858275900 /nfs/dbraw/zinc/27/59/00/858275900.db2.gz GIZGMLXIIVGYLO-NRFANRHFSA-N 1 0 379.504 3.667 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]CC3(c4ccc5c(c4)OCO5)CCOCC3)cc2)CC1 ZINC000594919315 858304312 /nfs/dbraw/zinc/30/43/12/858304312.db2.gz XHJPRKSYANLQLI-UHFFFAOYSA-N 1 0 390.483 3.808 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)N2CCOCC2)cc1 ZINC000594924153 858306130 /nfs/dbraw/zinc/30/61/30/858306130.db2.gz HRCRIKRZMZGWKA-QHCPKHFHSA-N 1 0 375.516 3.713 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)cc(OC)c1 ZINC000594931448 858307096 /nfs/dbraw/zinc/30/70/96/858307096.db2.gz FKPFJFVOZGERSH-NRFANRHFSA-N 1 0 391.515 3.623 20 30 GHEDRO C=CC[N@@H+](CCCOc1ccccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521809205 858334523 /nfs/dbraw/zinc/33/45/23/858334523.db2.gz XRXDIUMUVDPAAW-LJQANCHMSA-N 1 0 377.492 3.989 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(OC4CC4)c3F)CC2)cc1 ZINC000594972017 858335170 /nfs/dbraw/zinc/33/51/70/858335170.db2.gz UZRIWPDJECSNAL-UHFFFAOYSA-N 1 0 379.479 3.993 20 30 GHEDRO CO[C@](C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)COCc1ccccc1 ZINC000594974936 858335795 /nfs/dbraw/zinc/33/57/95/858335795.db2.gz OELNGKLIIPRXDF-XMMPIXPASA-N 1 0 393.531 3.739 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)CC2)nc1 ZINC000594934384 858338971 /nfs/dbraw/zinc/33/89/71/858338971.db2.gz GFONHXJTSSLYOS-VTLFHKLASA-N 1 0 393.487 3.601 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)cc2)CC1 ZINC000594937400 858340160 /nfs/dbraw/zinc/34/01/60/858340160.db2.gz IMWMLHVMBXHCQX-NRFANRHFSA-N 1 0 395.453 3.801 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](CO)Cc3cccc(Br)c3)cc2)CC1 ZINC000594939898 858340994 /nfs/dbraw/zinc/34/09/94/858340994.db2.gz UTEWVINCMVOMTQ-SFHVURJKSA-N 1 0 399.332 3.945 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCN2CC)cc1OCC ZINC000521826778 858344286 /nfs/dbraw/zinc/34/42/86/858344286.db2.gz WZGZWPYKPUWTAK-MRXNPFEDSA-N 1 0 397.357 3.987 20 30 GHEDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000594962704 858347321 /nfs/dbraw/zinc/34/73/21/858347321.db2.gz GADFCAAXVXIWIF-KWOQKUFVSA-N 1 0 394.515 3.793 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC000595056753 858366284 /nfs/dbraw/zinc/36/62/84/858366284.db2.gz VTGYERSHIKNDGY-YADHBBJMSA-N 1 0 382.529 3.784 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000508414469 858435703 /nfs/dbraw/zinc/43/57/03/858435703.db2.gz UBSMOGGAIMEJBS-NRFANRHFSA-N 1 0 385.552 3.905 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000595232380 858447551 /nfs/dbraw/zinc/44/75/51/858447551.db2.gz ZTCKPHJIVTWVLA-OAHLLOKOSA-N 1 0 391.313 3.564 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000595443241 858534803 /nfs/dbraw/zinc/53/48/03/858534803.db2.gz DRBXNCREBHGLFS-JOCHJYFZSA-N 1 0 388.515 3.660 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000046865985 858571467 /nfs/dbraw/zinc/57/14/67/858571467.db2.gz BBZHWKVZCNDPHR-UHFFFAOYSA-N 1 0 379.529 3.704 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000922168466 858588050 /nfs/dbraw/zinc/58/80/50/858588050.db2.gz ROELPMDMAGYNMF-FQEVSTJZSA-N 1 0 384.520 3.706 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000595640059 858634906 /nfs/dbraw/zinc/63/49/06/858634906.db2.gz NFWUASJAYHOPMY-MRXNPFEDSA-N 1 0 378.394 3.842 20 30 GHEDRO CCOc1ccc(NC(=O)CC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595764208 858662121 /nfs/dbraw/zinc/66/21/21/858662121.db2.gz HLWVWBWUMLMRHA-UHFFFAOYSA-N 1 0 393.487 3.581 20 30 GHEDRO CC(C)N(C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000595771745 858665505 /nfs/dbraw/zinc/66/55/05/858665505.db2.gz CYYGFCZNNJKBHS-UHFFFAOYSA-N 1 0 377.488 3.595 20 30 GHEDRO COC(=O)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1Cl ZINC000595769605 858665673 /nfs/dbraw/zinc/66/56/73/858665673.db2.gz SOXKOWKSPYSNBR-UHFFFAOYSA-N 1 0 384.863 3.794 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788978 858688718 /nfs/dbraw/zinc/68/87/18/858688718.db2.gz LWHZARAQJKDRNM-LVCYWYKZSA-N 1 0 387.499 3.742 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508823922 858692483 /nfs/dbraw/zinc/69/24/83/858692483.db2.gz ANYICLBGBQSVMV-NQIIRXRSSA-N 1 0 395.526 3.647 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595831871 858702181 /nfs/dbraw/zinc/70/21/81/858702181.db2.gz QDRIPGIFWOQFKU-RTWAWAEBSA-N 1 0 380.536 3.624 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cnc(CC(F)(F)F)s3)CC2)c1 ZINC000895186866 858703022 /nfs/dbraw/zinc/70/30/22/858703022.db2.gz DGVZHNPMKAQJGC-UHFFFAOYSA-N 1 0 394.466 3.874 20 30 GHEDRO CCOC(=O)c1csc(C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)n1 ZINC000281480353 863053816 /nfs/dbraw/zinc/05/38/16/863053816.db2.gz WMLVEYGYZSEJTG-UHFFFAOYSA-N 1 0 391.537 3.600 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000160250178 858749991 /nfs/dbraw/zinc/74/99/91/858749991.db2.gz PPSVIFRMAMFVFS-UHFFFAOYSA-N 1 0 376.504 3.723 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+]1CCCC1 ZINC000183459131 858751187 /nfs/dbraw/zinc/75/11/87/858751187.db2.gz VLYMOYMLSDXHER-OAQYLSRUSA-N 1 0 389.499 3.817 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCc4ccccc4-n4ccnc43)CC2)cc1 ZINC000596060792 858767000 /nfs/dbraw/zinc/76/70/00/858767000.db2.gz HUPRVQLWDAPGQN-QFIPXVFZSA-N 1 0 383.499 3.990 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116025446 858790464 /nfs/dbraw/zinc/79/04/64/858790464.db2.gz PEVZPEBMPXKIHM-ROUUACIJSA-N 1 0 383.442 3.530 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000596187006 858801397 /nfs/dbraw/zinc/80/13/97/858801397.db2.gz PECDNQDGACKXIK-LAUBAEHRSA-N 1 0 376.504 3.928 20 30 GHEDRO N#Cc1cc2cccnc2nc1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000596154902 858807267 /nfs/dbraw/zinc/80/72/67/858807267.db2.gz FMTMZRGFVZKFRG-UHFFFAOYSA-N 1 0 391.450 3.596 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000067972819 858810612 /nfs/dbraw/zinc/81/06/12/858810612.db2.gz LRGXSOFDYGCNRN-UHFFFAOYSA-N 1 0 394.906 3.826 20 30 GHEDRO CC(C)(CNC(=O)NC1(c2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000482763425 858835214 /nfs/dbraw/zinc/83/52/14/858835214.db2.gz QXVDKHGQYPOPDC-UHFFFAOYSA-N 1 0 388.515 3.683 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](c2ccc(OC)cc2)C1)C(C)C ZINC000522228037 858865701 /nfs/dbraw/zinc/86/57/01/858865701.db2.gz SEMIWCJGAHQXRU-RBBKRZOGSA-N 1 0 385.552 3.893 20 30 GHEDRO Cc1c(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cccc1N(C)C ZINC000593177032 858889424 /nfs/dbraw/zinc/88/94/24/858889424.db2.gz GZTKYJPJOUTWJW-UHFFFAOYSA-N 1 0 391.519 3.719 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)[NH+]1CCC(C)CC1 ZINC000060156274 858908616 /nfs/dbraw/zinc/90/86/16/858908616.db2.gz HPHWFVWIVJVNMJ-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000184345213 858916224 /nfs/dbraw/zinc/91/62/24/858916224.db2.gz QTOIAANIPSZPMJ-XCLFUZPHSA-N 1 0 388.512 3.963 20 30 GHEDRO CCCc1c(NC(=O)N(C)CC[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000593184684 858927304 /nfs/dbraw/zinc/92/73/04/858927304.db2.gz ULHBBXCRDXKCCG-UHFFFAOYSA-N 1 0 394.523 3.646 20 30 GHEDRO CC(C)c1cnc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593199682 858941427 /nfs/dbraw/zinc/94/14/27/858941427.db2.gz TUDROWLDAQQBLW-UHFFFAOYSA-N 1 0 383.521 3.924 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000596579787 858945122 /nfs/dbraw/zinc/94/51/22/858945122.db2.gz DKOSGOLYLDWHGU-GGAORHGYSA-N 1 0 388.515 3.504 20 30 GHEDRO CC[C@@H](C)n1ncc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593190572 858947807 /nfs/dbraw/zinc/94/78/07/858947807.db2.gz LMFBNAPFRYLTEJ-MRXNPFEDSA-N 1 0 394.523 3.820 20 30 GHEDRO CC(C)(NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596584299 858952302 /nfs/dbraw/zinc/95/23/02/858952302.db2.gz YPUVFZXZCFERNY-HXUWFJFHSA-N 1 0 376.504 3.615 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCOCC3)cc1 ZINC000923036241 858972039 /nfs/dbraw/zinc/97/20/39/858972039.db2.gz SGZQWLOUCDEZFU-SFTDATJTSA-N 1 0 385.552 3.879 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000195214922 881388117 /nfs/dbraw/zinc/38/81/17/881388117.db2.gz GBGJUABIIDLTFM-UHFFFAOYSA-N 1 0 377.488 3.611 20 30 GHEDRO CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000596910722 859165560 /nfs/dbraw/zinc/16/55/60/859165560.db2.gz MSKDKWQNLZGAKX-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000060394548 859182963 /nfs/dbraw/zinc/18/29/63/859182963.db2.gz IGBSBURZLADLAL-UHFFFAOYSA-N 1 0 395.503 3.923 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000596972728 859204172 /nfs/dbraw/zinc/20/41/72/859204172.db2.gz HFBBJJXTSOXNQS-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2)CC1 ZINC000596983381 859211819 /nfs/dbraw/zinc/21/18/19/859211819.db2.gz XPXQXAZJPHEHCX-LJQANCHMSA-N 1 0 375.520 3.939 20 30 GHEDRO C[C@H](CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000543307542 859237012 /nfs/dbraw/zinc/23/70/12/859237012.db2.gz MIVCSKWPCCLFAB-MRXNPFEDSA-N 1 0 381.442 3.621 20 30 GHEDRO C#CCC1(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000922270353 859331047 /nfs/dbraw/zinc/33/10/47/859331047.db2.gz VEPPQPHRRCQXLL-UHFFFAOYSA-N 1 0 385.474 3.817 20 30 GHEDRO CCc1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593309346 859372396 /nfs/dbraw/zinc/37/23/96/859372396.db2.gz DKLSHVCLDDIQLY-UHFFFAOYSA-N 1 0 382.533 3.646 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(-c2ccncc2)n1 ZINC000597224767 859374748 /nfs/dbraw/zinc/37/47/48/859374748.db2.gz JUESNDDIXFVNLM-PZJWPPBQSA-N 1 0 379.508 3.640 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c(-c2ccccc2)n1 ZINC000597225911 859376592 /nfs/dbraw/zinc/37/65/92/859376592.db2.gz HEJXPVSKXIPIRB-UHFFFAOYSA-N 1 0 376.504 3.855 20 30 GHEDRO Cc1nc(C)c(C(=O)C(C(=S)Nc2ccccc2C#N)[n+]2ccccc2)o1 ZINC000764430455 859445843 /nfs/dbraw/zinc/44/58/43/859445843.db2.gz QSZXGNWBKJWESV-UHFFFAOYSA-O 1 0 377.449 3.774 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170359865 881423605 /nfs/dbraw/zinc/42/36/05/881423605.db2.gz KJNZVRFVMWCXGP-LRZVDXDASA-N 1 0 399.535 3.616 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc2ccccc12 ZINC000494311426 881430134 /nfs/dbraw/zinc/43/01/34/881430134.db2.gz VISOSVGWXOSJCP-UHFFFAOYSA-N 1 0 377.513 3.906 20 30 GHEDRO COc1ccc(C[C@@H](C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593351732 859531948 /nfs/dbraw/zinc/53/19/48/859531948.db2.gz RXYNMXLKAGURJB-GOSISDBHSA-N 1 0 391.515 3.526 20 30 GHEDRO Cc1ccc2cc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)ccc2n1 ZINC000593352932 859537092 /nfs/dbraw/zinc/53/70/92/859537092.db2.gz HXICFXAUSDFTFK-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO CCc1ccc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593349401 859542029 /nfs/dbraw/zinc/54/20/29/859542029.db2.gz LONRDXVNYXSNGW-UHFFFAOYSA-N 1 0 390.531 3.627 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)c1 ZINC000593354044 859550887 /nfs/dbraw/zinc/55/08/87/859550887.db2.gz VMMZCHISSZVXPU-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4cc(F)ccc4o3)CC2)c1 ZINC000593355759 859564268 /nfs/dbraw/zinc/56/42/68/859564268.db2.gz ZJYXRHQMMAINPC-UHFFFAOYSA-N 1 0 377.419 3.838 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000611038783 859585443 /nfs/dbraw/zinc/58/54/43/859585443.db2.gz LNUBCNDOTCRVBT-UHFFFAOYSA-N 1 0 391.338 3.650 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2cc(C#N)ccc2C)[NH+]2CCCC2)c1 ZINC000069614983 859596257 /nfs/dbraw/zinc/59/62/57/859596257.db2.gz YHYZZRREPRQQQO-NRFANRHFSA-N 1 0 378.476 3.834 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000106318553 859602532 /nfs/dbraw/zinc/60/25/32/859602532.db2.gz HFMLGFDAXBNYCI-UHFFFAOYSA-N 1 0 379.888 3.663 20 30 GHEDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000597617919 859685558 /nfs/dbraw/zinc/68/55/58/859685558.db2.gz XIMJPGWWWJWAJR-SFHVURJKSA-N 1 0 391.943 3.545 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000611370463 859724001 /nfs/dbraw/zinc/72/40/01/859724001.db2.gz TWAUWYNDRMBALX-DAYGRLMNSA-N 1 0 379.464 3.856 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1cccc(C#N)c1 ZINC000611389502 859729812 /nfs/dbraw/zinc/72/98/12/859729812.db2.gz XUYOBXPSCLMWMQ-SNVBAGLBSA-N 1 0 394.219 3.888 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1ccc(C#N)cc1 ZINC000611381736 859729850 /nfs/dbraw/zinc/72/98/50/859729850.db2.gz WLTWPQHCWITEHG-QGZVFWFLSA-N 1 0 379.479 3.976 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cn2)c1 ZINC000611385672 859731804 /nfs/dbraw/zinc/73/18/04/859731804.db2.gz AAPGPRUUKJQWPG-SFHVURJKSA-N 1 0 391.475 3.695 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)C2 ZINC000597714816 859741862 /nfs/dbraw/zinc/74/18/62/859741862.db2.gz JUSMSRMSPYEBEW-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H](C[N@@H+](C)CC)C2)c1=S ZINC000765035186 859741845 /nfs/dbraw/zinc/74/18/45/859741845.db2.gz AYBOBVDRZLRJEL-GOSISDBHSA-N 1 0 385.581 3.807 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H](C[N@@H+](C)CC)C2)c1=S ZINC000765038699 859743839 /nfs/dbraw/zinc/74/38/39/859743839.db2.gz OCFKRTMLFQEWTN-GOSISDBHSA-N 1 0 385.581 3.807 20 30 GHEDRO CN(C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602073417 859754562 /nfs/dbraw/zinc/75/45/62/859754562.db2.gz GDOKEFUJSQXZAE-UTKZUKDTSA-N 1 0 396.535 3.540 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)ccc1Cl ZINC000128865642 859763558 /nfs/dbraw/zinc/76/35/58/859763558.db2.gz ISLNRWDTOBXPDX-WOJBJXKFSA-N 1 0 399.926 3.865 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000543458319 859774890 /nfs/dbraw/zinc/77/48/90/859774890.db2.gz VSDXFXAJKIWQNO-QGZVFWFLSA-N 1 0 399.564 3.918 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000114688485 859823912 /nfs/dbraw/zinc/82/39/12/859823912.db2.gz VBAHVAJEZFGOQS-UHFFFAOYSA-N 1 0 389.499 3.908 20 30 GHEDRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000195226380 881469241 /nfs/dbraw/zinc/46/92/41/881469241.db2.gz PIAKGEPHDHEOPP-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161337542 859866805 /nfs/dbraw/zinc/86/68/05/859866805.db2.gz SIMILIBYUHQMFK-UHFFFAOYSA-N 1 0 387.709 3.802 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465590016 859876971 /nfs/dbraw/zinc/87/69/71/859876971.db2.gz CRXJAKPICXCVFW-CEMLEFRQSA-N 1 0 382.552 3.980 20 30 GHEDRO Cc1c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1CCC#N ZINC000895746786 859893856 /nfs/dbraw/zinc/89/38/56/859893856.db2.gz CRKBOYRSNPRGGS-ROUUACIJSA-N 1 0 393.535 3.513 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000597925494 859932723 /nfs/dbraw/zinc/93/27/23/859932723.db2.gz WAQWIRFCDIHHRH-HXUWFJFHSA-N 1 0 377.488 3.740 20 30 GHEDRO COc1ccc(Oc2cc(C[NH2+]Cc3cnc4ccc(C#N)cn34)ccn2)cc1 ZINC000123353960 859934202 /nfs/dbraw/zinc/93/42/02/859934202.db2.gz KVCXFHVYTDNLSR-UHFFFAOYSA-N 1 0 385.427 3.692 20 30 GHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCCCC1 ZINC000123373982 859939161 /nfs/dbraw/zinc/93/91/61/859939161.db2.gz OUZBOVIYNCIQOE-OAQYLSRUSA-N 1 0 389.503 3.531 20 30 GHEDRO CCc1cccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593487738 859964524 /nfs/dbraw/zinc/96/45/24/859964524.db2.gz BUDPGYVUUJAGME-UHFFFAOYSA-N 1 0 376.504 3.584 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](C)Oc3ccc(C#N)cc3)C2)s1 ZINC000552136228 859987370 /nfs/dbraw/zinc/98/73/70/859987370.db2.gz DRQBAXSBLPEBGW-IEBWSBKVSA-N 1 0 397.544 3.676 20 30 GHEDRO CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598043028 860020042 /nfs/dbraw/zinc/02/00/42/860020042.db2.gz ZGTLZBDNYZLJLA-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000765505454 860024948 /nfs/dbraw/zinc/02/49/48/860024948.db2.gz VDUKRUJHIPJYPH-AUUYWEPGSA-N 1 0 379.378 3.981 20 30 GHEDRO COc1ccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N2CCCCC2)cc1 ZINC000602498938 860064841 /nfs/dbraw/zinc/06/48/41/860064841.db2.gz MYRPDOUEZXPJQJ-UGKGYDQZSA-N 1 0 385.552 3.911 20 30 GHEDRO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513172 860083441 /nfs/dbraw/zinc/08/34/41/860083441.db2.gz YFXBOSVKPHCZEF-NQSCKRDGSA-N 1 0 380.536 3.885 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000602530280 860099159 /nfs/dbraw/zinc/09/91/59/860099159.db2.gz RIXHKDXBSLRHSY-QGZVFWFLSA-N 1 0 378.476 3.522 20 30 GHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]C[C@@H](C)CCC#N)c2)cc1 ZINC000602554261 860106279 /nfs/dbraw/zinc/10/62/79/860106279.db2.gz ZTAMZPNUSFVILJ-INIZCTEOSA-N 1 0 387.505 3.525 20 30 GHEDRO N#Cc1c(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc2cc(Cl)ccn12 ZINC000593515693 860125819 /nfs/dbraw/zinc/12/58/19/860125819.db2.gz QOYHIHKNGVNVIG-UHFFFAOYSA-N 1 0 390.878 3.808 20 30 GHEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000602590470 860129725 /nfs/dbraw/zinc/12/97/25/860129725.db2.gz UVUYOTAMFWSVHA-VBKZILBWSA-N 1 0 392.471 3.987 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(C3(c4cccc(C(F)(F)F)c4)CC3)no1)C2 ZINC000904119653 860146997 /nfs/dbraw/zinc/14/69/97/860146997.db2.gz WLRPQRPYXUIVPD-KVIBHRHWSA-N 1 0 388.393 3.775 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000602619108 860157208 /nfs/dbraw/zinc/15/72/08/860157208.db2.gz MAFXUQHKJZFNOM-MAUKXSAKSA-N 1 0 383.458 3.997 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000602641555 860173687 /nfs/dbraw/zinc/17/36/87/860173687.db2.gz SSCPLGVDSUKEOL-RDJZCZTQSA-N 1 0 392.341 3.716 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000598261542 860193258 /nfs/dbraw/zinc/19/32/58/860193258.db2.gz GXXXFWGDNIOAEU-KRWDZBQOSA-N 1 0 381.476 3.580 20 30 GHEDRO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000484630213 860203927 /nfs/dbraw/zinc/20/39/27/860203927.db2.gz FCNUKINKHLHUOZ-VXKWHMMOSA-N 1 0 398.528 3.620 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2Oc2ccccc2C)c(C#N)c1C ZINC000484644158 860216128 /nfs/dbraw/zinc/21/61/28/860216128.db2.gz UQWHGGLBAGADFQ-QUCCMNQESA-N 1 0 381.476 3.995 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000328733553 860222965 /nfs/dbraw/zinc/22/29/65/860222965.db2.gz HVXYGNAVCUXMML-MRXNPFEDSA-N 1 0 384.911 3.617 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Cc3nccs3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000602735243 860243566 /nfs/dbraw/zinc/24/35/66/860243566.db2.gz UXTFLDBKZKONBT-UHFFFAOYSA-N 1 0 377.517 3.870 20 30 GHEDRO N#CCC1(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000602791624 860295170 /nfs/dbraw/zinc/29/51/70/860295170.db2.gz QIMLMPGVUUNUDG-UHFFFAOYSA-N 1 0 376.298 3.793 20 30 GHEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000922603714 860304177 /nfs/dbraw/zinc/30/41/77/860304177.db2.gz UIESLPVGWYRXRB-NHCUHLMSSA-N 1 0 398.551 3.706 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cnc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cn1 ZINC000922603961 860304239 /nfs/dbraw/zinc/30/42/39/860304239.db2.gz PVYFOCBPSMGZBR-UHFFFAOYSA-N 1 0 381.480 3.806 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000904330774 860345629 /nfs/dbraw/zinc/34/56/29/860345629.db2.gz CDPHZBSNAXOREP-AUSIDOKSSA-N 1 0 390.487 3.791 20 30 GHEDRO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)n2c1 ZINC000093840939 860360889 /nfs/dbraw/zinc/36/08/89/860360889.db2.gz ZCWZKQMIIJDBFX-INIZCTEOSA-N 1 0 377.517 3.921 20 30 GHEDRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602914106 860365487 /nfs/dbraw/zinc/36/54/87/860365487.db2.gz XTZXLDZYYZGYPK-NRFANRHFSA-N 1 0 378.476 3.559 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)CC1 ZINC001170398086 881531701 /nfs/dbraw/zinc/53/17/01/881531701.db2.gz LKARXJXDGCYLGR-ZLHNRXBCSA-N 1 0 388.515 3.680 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NCC3CC[NH+](CC4CC4)CC3)o2)cc1 ZINC000598541019 860382762 /nfs/dbraw/zinc/38/27/62/860382762.db2.gz MISVTZKKTIPYPZ-UHFFFAOYSA-N 1 0 393.487 3.582 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000598558699 860394923 /nfs/dbraw/zinc/39/49/23/860394923.db2.gz CRHDBECNIRUOCM-GOSISDBHSA-N 1 0 393.487 3.582 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000603008061 860419471 /nfs/dbraw/zinc/41/94/71/860419471.db2.gz CAVYZZJDLLAVPZ-UHFFFAOYSA-N 1 0 384.402 3.795 20 30 GHEDRO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@@H](O)CC(C)(C)C#N)OCCO3 ZINC000598587450 860434227 /nfs/dbraw/zinc/43/42/27/860434227.db2.gz QQJVLLYPYNBIDL-IRXDYDNUSA-N 1 0 384.520 3.947 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccc(OC)cc2)cc1 ZINC000598595451 860438207 /nfs/dbraw/zinc/43/82/07/860438207.db2.gz TYGPGBRIGXHJLC-SIKLNZKXSA-N 1 0 382.504 3.878 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508995939 860477105 /nfs/dbraw/zinc/47/71/05/860477105.db2.gz FDCVNKWSROTKDC-OALUTQOASA-N 1 0 391.604 3.938 20 30 GHEDRO N#Cc1csc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000330157162 860483046 /nfs/dbraw/zinc/48/30/46/860483046.db2.gz ZDTGMGSDLUTSTN-OXQOHEQNSA-N 1 0 377.473 3.618 20 30 GHEDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000922712986 860508359 /nfs/dbraw/zinc/50/83/59/860508359.db2.gz ZAWUDADZZFGYMA-UHFFFAOYSA-N 1 0 385.283 3.809 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000598699184 860512248 /nfs/dbraw/zinc/51/22/48/860512248.db2.gz CKARWNQGPRTQSH-KRWDZBQOSA-N 1 0 384.442 3.644 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000921597261 860548506 /nfs/dbraw/zinc/54/85/06/860548506.db2.gz VRWHMJACWDAYII-OALUTQOASA-N 1 0 391.515 3.714 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000552696132 860556206 /nfs/dbraw/zinc/55/62/06/860556206.db2.gz LQVRPWJUPQBBQL-AVRDEDQJSA-N 1 0 389.499 3.836 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C)C1 ZINC000331279229 860574130 /nfs/dbraw/zinc/57/41/30/860574130.db2.gz SRDDEFUHNSZJDV-WFASDCNBSA-N 1 0 384.402 3.651 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn(CC)c2)cc1OCC ZINC000265570023 860585573 /nfs/dbraw/zinc/58/55/73/860585573.db2.gz WRFRBSPEELAWLU-UHFFFAOYSA-N 1 0 394.313 3.919 20 30 GHEDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(C#N)ccc3Br)C2)n1 ZINC000922862631 860688104 /nfs/dbraw/zinc/68/81/04/860688104.db2.gz OPMOICYAOLPNCL-JSGCOSHPSA-N 1 0 375.270 3.692 20 30 GHEDRO N#Cc1ccnc(N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000603419168 860695096 /nfs/dbraw/zinc/69/50/96/860695096.db2.gz QNOBGYLGCURMFR-UHFFFAOYSA-N 1 0 391.475 3.744 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000603444265 860705797 /nfs/dbraw/zinc/70/57/97/860705797.db2.gz UGMRFURWXSAFJX-NQIIRXRSSA-N 1 0 379.504 3.741 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCN(c4ccc(Cl)cc4F)C3=O)cc2)CC1 ZINC000598995923 860729460 /nfs/dbraw/zinc/72/94/60/860729460.db2.gz KIHOPQTXPOENGF-SFHVURJKSA-N 1 0 383.854 3.929 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H](O)COCc2ccccc2)CC1 ZINC000599088145 860803909 /nfs/dbraw/zinc/80/39/09/860803909.db2.gz AGFRUNBNWBKREQ-NSQNTRMNSA-N 1 0 378.516 3.948 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cnc4ccc(Cl)cn34)CC2)c1 ZINC000593692592 860856610 /nfs/dbraw/zinc/85/66/10/860856610.db2.gz GMSVTNMHCFVDRV-UHFFFAOYSA-N 1 0 379.895 3.614 20 30 GHEDRO COc1cccc2c1CC[C@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC000593696239 860885352 /nfs/dbraw/zinc/88/53/52/860885352.db2.gz YYZAONIODOYOTC-QFIPXVFZSA-N 1 0 375.516 3.678 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CC1 ZINC000730124938 860889228 /nfs/dbraw/zinc/88/92/28/860889228.db2.gz IYPWARKOSOZGIO-UHFFFAOYSA-N 1 0 396.535 3.708 20 30 GHEDRO COC(=O)c1ccc(Cl)c(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593695276 860912842 /nfs/dbraw/zinc/91/28/42/860912842.db2.gz JDIIBPHEQVARCO-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCCO1 ZINC000126157575 860962191 /nfs/dbraw/zinc/96/21/91/860962191.db2.gz IAZGKJVSXITBNF-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329043017 860972276 /nfs/dbraw/zinc/97/22/76/860972276.db2.gz ITACVNVERZLPLE-AXNOTKAXSA-N 1 0 389.515 3.500 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000730257592 860977640 /nfs/dbraw/zinc/97/76/40/860977640.db2.gz MWCOEEUJCXFROJ-QGZVFWFLSA-N 1 0 376.497 3.618 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CCOCC1 ZINC000599263386 860994616 /nfs/dbraw/zinc/99/46/16/860994616.db2.gz GIMDMROXDOYBKB-ZWKOTPCHSA-N 1 0 393.325 3.657 20 30 GHEDRO CNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000185576321 860996056 /nfs/dbraw/zinc/99/60/56/860996056.db2.gz QXLJGEDLRXQPSA-UHFFFAOYSA-O 1 0 386.500 3.595 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CCOCC1 ZINC000599265118 860996324 /nfs/dbraw/zinc/99/63/24/860996324.db2.gz RLWSQEFBZDKKQT-CVEARBPZSA-N 1 0 380.891 3.557 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H](c3ccccc3)c3cncnc3)CC2)c1 ZINC000593722084 861014122 /nfs/dbraw/zinc/01/41/22/861014122.db2.gz PNCMUDLEOHDEHW-DEOSSOPVSA-N 1 0 383.499 3.692 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000185577489 861022522 /nfs/dbraw/zinc/02/25/22/861022522.db2.gz HJELQGRPNUQZPU-UHFFFAOYSA-O 1 0 378.521 3.663 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1 ZINC000185580138 861023842 /nfs/dbraw/zinc/02/38/42/861023842.db2.gz XYSGRUCQOMLXDJ-APWZRJJASA-O 1 0 378.521 3.953 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1 ZINC000329107991 861024400 /nfs/dbraw/zinc/02/44/00/861024400.db2.gz FMGJBTIAQCBMSB-IRFCIJBXSA-N 1 0 398.551 3.601 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@H](c3nnc[nH]3)C3CCCCC3)CC2)c1 ZINC000593725666 861030572 /nfs/dbraw/zinc/03/05/72/861030572.db2.gz PORFIBORMIMSGY-NRFANRHFSA-N 1 0 378.524 3.552 20 30 GHEDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593726007 861035398 /nfs/dbraw/zinc/03/53/98/861035398.db2.gz VGRCZTYTYQAVTM-NRFANRHFSA-N 1 0 379.479 3.947 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1OC ZINC000623420672 861040205 /nfs/dbraw/zinc/04/02/05/861040205.db2.gz LXJLRIDHBRZPGJ-HOTGVXAUSA-N 1 0 380.916 3.650 20 30 GHEDRO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000329122896 861041163 /nfs/dbraw/zinc/04/11/63/861041163.db2.gz RMHQLACONOUCJT-IEBWSBKVSA-N 1 0 375.557 3.779 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329127373 861043718 /nfs/dbraw/zinc/04/37/18/861043718.db2.gz MYRMZOMOPHSSMK-JMVFIXPQSA-N 1 0 377.504 3.527 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000603689329 861046794 /nfs/dbraw/zinc/04/67/94/861046794.db2.gz HUAUHCPAPHSZHD-IAGOWNOFSA-N 1 0 393.491 3.987 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599330797 861069326 /nfs/dbraw/zinc/06/93/26/861069326.db2.gz OWMIMOFJYGWYIP-NQIIRXRSSA-N 1 0 396.535 3.825 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)CCOCC1 ZINC000599348575 861086679 /nfs/dbraw/zinc/08/66/79/861086679.db2.gz AAWUMBYBLKIXME-TZIWHRDSSA-N 1 0 398.478 3.607 20 30 GHEDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]C[C@H](O)CC2(C#N)CC2)cc1OC ZINC000599349673 861087718 /nfs/dbraw/zinc/08/77/18/861087718.db2.gz QCOUGAIZLYEZSC-RTWAWAEBSA-N 1 0 394.515 3.940 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)CCOCC1 ZINC000599336282 861102202 /nfs/dbraw/zinc/10/22/02/861102202.db2.gz KNLUPSILOORJNI-ZWKOTPCHSA-N 1 0 392.927 3.502 20 30 GHEDRO C[C@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)[NH+]1CCC(C)CC1 ZINC000329175850 861102877 /nfs/dbraw/zinc/10/28/77/861102877.db2.gz BQZWGQONWYJISG-QGZVFWFLSA-N 1 0 396.535 3.548 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000899561797 861132421 /nfs/dbraw/zinc/13/24/21/861132421.db2.gz JCENQBPEPGKWFH-UHFFFAOYSA-N 1 0 390.487 3.836 20 30 GHEDRO CC(C)C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CCCc2cccnc21 ZINC000599381017 861132940 /nfs/dbraw/zinc/13/29/40/861132940.db2.gz UQKARPQHSXKXJR-SFTDATJTSA-N 1 0 379.504 3.729 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000599384903 861147548 /nfs/dbraw/zinc/14/75/48/861147548.db2.gz VKGOGGUBZDPDKH-ZYSHUDEJSA-N 1 0 379.907 3.647 20 30 GHEDRO CCC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000161712705 861187576 /nfs/dbraw/zinc/18/75/76/861187576.db2.gz OPXSQWCKRGWABI-HXUWFJFHSA-N 1 0 379.464 3.961 20 30 GHEDRO CCCc1c(NC(=O)NC[C@@H](C)[NH+](CC)CC)cnn1-c1cccc(C#N)c1 ZINC000439667508 863173719 /nfs/dbraw/zinc/17/37/19/863173719.db2.gz KSGINCHSZUIUIN-MRXNPFEDSA-N 1 0 382.512 3.548 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000182288517 863177493 /nfs/dbraw/zinc/17/74/93/863177493.db2.gz GNASZYUSXILGOQ-AWEZNQCLSA-N 1 0 385.851 3.666 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000444033459 863179169 /nfs/dbraw/zinc/17/91/69/863179169.db2.gz RIOKMHKFJBNELX-XJKSGUPXSA-N 1 0 398.429 3.836 20 30 GHEDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000482506883 863235194 /nfs/dbraw/zinc/23/51/94/863235194.db2.gz PYCLCWDXYKPBJV-SFHVURJKSA-N 1 0 391.515 3.874 20 30 GHEDRO Cn1c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc2ccc(Cl)cc21 ZINC000482541986 863279922 /nfs/dbraw/zinc/27/99/22/863279922.db2.gz FCGIJRALYDCTKS-INIZCTEOSA-N 1 0 397.885 3.996 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000281685257 863325083 /nfs/dbraw/zinc/32/50/83/863325083.db2.gz BBAMZVXLGKJVDO-YADHBBJMSA-N 1 0 385.552 3.521 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182886256 863393655 /nfs/dbraw/zinc/39/36/55/863393655.db2.gz VLUVIAGITHPWFT-QFIPXVFZSA-N 1 0 385.552 3.531 20 30 GHEDRO CS(=O)(=O)c1ccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)s1 ZINC000262399405 863546369 /nfs/dbraw/zinc/54/63/69/863546369.db2.gz NLPBDSFZRYWTSC-UHFFFAOYSA-N 1 0 377.535 3.606 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000598266684 881672749 /nfs/dbraw/zinc/67/27/49/881672749.db2.gz ZHENVBRJNSQDDA-KRWDZBQOSA-N 1 0 381.476 3.580 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000444167755 863582805 /nfs/dbraw/zinc/58/28/05/863582805.db2.gz FZKGSDWVVKHFCJ-LEWJYISDSA-N 1 0 384.568 3.745 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000896912730 863736776 /nfs/dbraw/zinc/73/67/76/863736776.db2.gz DUFPVJFHCPBUCK-JBYIUTFZSA-N 1 0 391.556 3.855 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)N(Cc3ccco3)CC(F)(F)F)CCC2)cc1 ZINC000594032783 863823487 /nfs/dbraw/zinc/82/34/87/863823487.db2.gz PAEIRSUAXHNDEA-UHFFFAOYSA-N 1 0 391.393 3.711 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000554266750 864015157 /nfs/dbraw/zinc/01/51/57/864015157.db2.gz ZLCUQOAJDDIDLY-DNVCBOLYSA-N 1 0 394.357 3.547 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000734164214 864043590 /nfs/dbraw/zinc/04/35/90/864043590.db2.gz ZVEBJJOSWNFCDS-UHFFFAOYSA-N 1 0 391.515 3.684 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734172702 864051643 /nfs/dbraw/zinc/05/16/43/864051643.db2.gz RVVZKMVORYWGII-QFIPXVFZSA-N 1 0 379.479 3.635 20 30 GHEDRO Cc1ccc(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1C ZINC000734363165 864177123 /nfs/dbraw/zinc/17/71/23/864177123.db2.gz VUAZNYCQFURQDP-KRWDZBQOSA-N 1 0 381.549 3.883 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000734363666 864177237 /nfs/dbraw/zinc/17/72/37/864177237.db2.gz NHDSPDYGLFNAAQ-KRWDZBQOSA-N 1 0 389.503 3.726 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1cc(C#N)cs1)CC2 ZINC000896968747 864199440 /nfs/dbraw/zinc/19/94/40/864199440.db2.gz GVFRMCQHMZLZJV-INIZCTEOSA-N 1 0 391.537 3.516 20 30 GHEDRO C=CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccncc1 ZINC000734678766 864378970 /nfs/dbraw/zinc/37/89/70/864378970.db2.gz CDILOYZLGDFYGS-FQEVSTJZSA-N 1 0 388.462 3.750 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000554485626 864405494 /nfs/dbraw/zinc/40/54/94/864405494.db2.gz AZBGZZHFQYCIIO-JOCHJYFZSA-N 1 0 378.451 3.827 20 30 GHEDRO [NH2+]=C(NCCc1nc2cc(Cl)ccc2s1)N[C@H]1CCOc2ccccc21 ZINC000262445099 864452715 /nfs/dbraw/zinc/45/27/15/864452715.db2.gz DDQGXCOZNOMIPP-AWEZNQCLSA-N 1 0 386.908 3.920 20 30 GHEDRO N#CCC[C@H](C#N)CNCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000554552348 864517748 /nfs/dbraw/zinc/51/77/48/864517748.db2.gz UJOKRVMRIBTXLG-OAQYLSRUSA-N 1 0 387.531 3.542 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCCc1ccc(Br)s1 ZINC000499347169 864611631 /nfs/dbraw/zinc/61/16/31/864611631.db2.gz ZGLLWGGCXPNKBY-UHFFFAOYSA-N 1 0 386.359 3.527 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000063403348 864657747 /nfs/dbraw/zinc/65/77/47/864657747.db2.gz MVNDLRYUXZUDBR-QGZVFWFLSA-N 1 0 388.512 3.803 20 30 GHEDRO CCOCCC[N@@H+]1CCC(N=Nc2ncnc3sc(C)c(C)c32)[C@@H](C)C1 ZINC000735227901 864671416 /nfs/dbraw/zinc/67/14/16/864671416.db2.gz LJVCMUDXHCRCBT-ZDUSSCGKSA-N 1 0 375.542 3.844 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000475302098 864736462 /nfs/dbraw/zinc/73/64/62/864736462.db2.gz KGERFKGGQZNRED-HKUYNNGSSA-N 1 0 385.552 3.808 20 30 GHEDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(F)cc1 ZINC000475354823 864847354 /nfs/dbraw/zinc/84/73/54/864847354.db2.gz YQNXJRGTNXDESL-UHFFFAOYSA-N 1 0 396.466 3.765 20 30 GHEDRO Cc1ccc(C)c(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000063509735 864886376 /nfs/dbraw/zinc/88/63/76/864886376.db2.gz GMAUVRGECZVASK-UHFFFAOYSA-N 1 0 394.519 3.565 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000184817515 864964676 /nfs/dbraw/zinc/96/46/76/864964676.db2.gz HLOWXTFVJSIJIF-NRFANRHFSA-N 1 0 375.472 3.500 20 30 GHEDRO Cc1csc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1C#N ZINC000594109741 865018266 /nfs/dbraw/zinc/01/82/66/865018266.db2.gz HNKOCSODPNVWAW-INIZCTEOSA-N 1 0 398.532 3.950 20 30 GHEDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000792937528 881828096 /nfs/dbraw/zinc/82/80/96/881828096.db2.gz YBGOLNDXRAJCFR-HNAYVOBHSA-N 1 0 386.879 3.752 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](OC)c1ccccc1 ZINC000554897270 865132570 /nfs/dbraw/zinc/13/25/70/865132570.db2.gz ZYIGSUYTENRMTA-IBGZPJMESA-N 1 0 386.565 3.972 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001126892559 865230214 /nfs/dbraw/zinc/23/02/14/865230214.db2.gz VBBXHFKXSGOZAA-FZWXVRBQSA-N 1 0 389.543 3.990 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189422642 881852851 /nfs/dbraw/zinc/85/28/51/881852851.db2.gz VSXIAYRNNCWATB-UHFFFAOYSA-N 1 0 385.533 3.743 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)CC1 ZINC000171566093 865295557 /nfs/dbraw/zinc/29/55/57/865295557.db2.gz ZECYDRLUFZADNZ-UHFFFAOYSA-N 1 0 384.426 3.576 20 30 GHEDRO CC(C)N(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(C#N)cc1 ZINC000063751011 865302933 /nfs/dbraw/zinc/30/29/33/865302933.db2.gz KBWHWTLRHDHVRT-UHFFFAOYSA-N 1 0 379.460 3.569 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc2cc(F)ccc12 ZINC000480873522 865426655 /nfs/dbraw/zinc/42/66/55/865426655.db2.gz JUQGWMXCVNGQSY-UHFFFAOYSA-N 1 0 379.435 3.576 20 30 GHEDRO CSc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c1 ZINC000174128744 865477780 /nfs/dbraw/zinc/47/77/80/865477780.db2.gz ZPOORGJDCYIHQZ-UHFFFAOYSA-N 1 0 398.532 3.674 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCOc2cc(OC)ccc21)C(C)C ZINC000608640896 865525943 /nfs/dbraw/zinc/52/59/43/865525943.db2.gz FVEVVZKCEOSYQU-PMACEKPBSA-N 1 0 387.524 3.517 20 30 GHEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000555265372 865800961 /nfs/dbraw/zinc/80/09/61/865800961.db2.gz LWNZZEYVKYSLMB-SFTDATJTSA-N 1 0 395.551 3.630 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000174468876 865828367 /nfs/dbraw/zinc/82/83/67/865828367.db2.gz LNDAPXSPNUPYIN-BEFAXECRSA-N 1 0 383.879 3.916 20 30 GHEDRO C[C@H]1CN([C@H](C[NH2+]Cc2cccc(C#N)c2)c2c(F)cccc2Cl)CCO1 ZINC000609006071 865885966 /nfs/dbraw/zinc/88/59/66/865885966.db2.gz XMBUWQKHXKUSHW-MGPUTAFESA-N 1 0 387.886 3.902 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(-c2cnn(C)c2)c1 ZINC000555335175 865914511 /nfs/dbraw/zinc/91/45/11/865914511.db2.gz AATMAQRVCGSLCN-UHFFFAOYSA-N 1 0 385.515 3.980 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCCCC1 ZINC000609055234 865938294 /nfs/dbraw/zinc/93/82/94/865938294.db2.gz XOOCNTTWQUOMDB-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000594357755 865945752 /nfs/dbraw/zinc/94/57/52/865945752.db2.gz MNJWJXINFICCLE-OXJNMPFZSA-N 1 0 383.923 3.852 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000740737469 865974840 /nfs/dbraw/zinc/97/48/40/865974840.db2.gz OIUHXVLDCCZAKB-UHFFFAOYSA-N 1 0 384.483 3.514 20 30 GHEDRO C=C(C)C[N@@H+](C)CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000481214889 866031367 /nfs/dbraw/zinc/03/13/67/866031367.db2.gz WPYXUNAGTKPQBR-UHFFFAOYSA-N 1 0 388.515 3.723 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000600035100 866085830 /nfs/dbraw/zinc/08/58/30/866085830.db2.gz LLYNTSGYQUVGOD-FEVSWUGISA-N 1 0 387.527 3.885 20 30 GHEDRO C=CCOc1c(Br)cc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000067507256 866090731 /nfs/dbraw/zinc/09/07/31/866090731.db2.gz SNSNMRFSFRPXTM-HNNXBMFYSA-N 1 0 397.357 3.842 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000475547355 866234490 /nfs/dbraw/zinc/23/44/90/866234490.db2.gz KUDNEBRPMWLIGQ-HXUWFJFHSA-N 1 0 380.488 3.607 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H](C)Oc3ccccc3C#N)CC[N@@H+]2C)cc1 ZINC000741121111 866245718 /nfs/dbraw/zinc/24/57/18/866245718.db2.gz RTRONBLWIQXIIK-ZWDAVXSWSA-N 1 0 394.471 3.570 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456266399 866328462 /nfs/dbraw/zinc/32/84/62/866328462.db2.gz IEIZRVGFYUDHBC-OAQYLSRUSA-N 1 0 379.508 3.534 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670234339 866354572 /nfs/dbraw/zinc/35/45/72/866354572.db2.gz LPHQXRABBMUBCO-IAGOWNOFSA-N 1 0 387.503 3.664 20 30 GHEDRO C[C@@H]1CN(C(=O)[C@@H](C#N)CCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456316506 866418990 /nfs/dbraw/zinc/41/89/90/866418990.db2.gz AHRGMLQPGACOHJ-NZQKXSOJSA-N 1 0 375.516 3.739 20 30 GHEDRO [NH2+]=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N[C@H]1CCOc2ccccc21 ZINC000304509595 866500269 /nfs/dbraw/zinc/50/02/69/866500269.db2.gz SFKCJKIZUYEGIH-IBGZPJMESA-N 1 0 392.434 3.941 20 30 GHEDRO CO[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000262542063 866608089 /nfs/dbraw/zinc/60/80/89/866608089.db2.gz SJRMTXBZDUXOHE-SFHVURJKSA-N 1 0 375.856 3.616 20 30 GHEDRO C[C@@H]1C[NH+](CCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000523126091 866675116 /nfs/dbraw/zinc/67/51/16/866675116.db2.gz DWVDQNDWGITKTG-QZTJIDSGSA-N 1 0 392.503 3.531 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)sc2c1CCC2 ZINC000183386757 866682058 /nfs/dbraw/zinc/68/20/58/866682058.db2.gz OUNRYBKXNSDXPO-MRXNPFEDSA-N 1 0 399.491 3.729 20 30 GHEDRO CN(C)c1ccc(C[NH2+]CCOCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000793191940 882006049 /nfs/dbraw/zinc/00/60/49/882006049.db2.gz NEMDELWMTXPFGR-UHFFFAOYSA-N 1 0 376.316 3.778 20 30 GHEDRO COc1ccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)cc1OCCCC#N ZINC000418097334 866733447 /nfs/dbraw/zinc/73/34/47/866733447.db2.gz WZDYGTAHSPEDLG-UHFFFAOYSA-N 1 0 386.414 3.921 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000741729355 866756546 /nfs/dbraw/zinc/75/65/46/866756546.db2.gz LIHTVBIPYHSUQR-UHFFFAOYSA-N 1 0 384.451 3.811 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000456706693 867045936 /nfs/dbraw/zinc/04/59/36/867045936.db2.gz IURBXYMXTPHTAL-HXUWFJFHSA-N 1 0 380.536 3.600 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000050032108 882044831 /nfs/dbraw/zinc/04/48/31/882044831.db2.gz YRTWJTIAOBJRAF-UHFFFAOYSA-N 1 0 376.504 3.518 20 30 GHEDRO C=CC[C@H]1[N@H+](C[C@H](O)COc2ccc(C(C)=O)cc2OC)CCCC1(C)C ZINC000444773931 867214017 /nfs/dbraw/zinc/21/40/17/867214017.db2.gz GXRHYBPTBPCPSN-GHTZIAJQSA-N 1 0 375.509 3.704 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000594565250 867232481 /nfs/dbraw/zinc/23/24/81/867232481.db2.gz UZHRFJFSRLCYBF-ZWKOTPCHSA-N 1 0 396.304 3.640 20 30 GHEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCCC1(C)C ZINC000444786162 867245673 /nfs/dbraw/zinc/24/56/73/867245673.db2.gz TUEHNNSRNGSQBI-OAQYLSRUSA-N 1 0 385.552 3.524 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](C)Oc2cccc(Br)c2)cc1C#N ZINC000742387718 867253323 /nfs/dbraw/zinc/25/33/23/867253323.db2.gz NOPGRJJXYCVYTO-ZDUSSCGKSA-N 1 0 375.266 3.886 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](C)Oc2cccc(Br)c2)cc1C#N ZINC000742387708 867253661 /nfs/dbraw/zinc/25/36/61/867253661.db2.gz NOPGRJJXYCVYTO-CYBMUJFWSA-N 1 0 375.266 3.886 20 30 GHEDRO C=CC[C@@H]1[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCCC1(C)C ZINC000444790658 867254793 /nfs/dbraw/zinc/25/47/93/867254793.db2.gz JTAGOOQPDHTPLU-NRFANRHFSA-N 1 0 397.563 3.930 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429792834 867310315 /nfs/dbraw/zinc/31/03/15/867310315.db2.gz VDXIREYHQBWGPR-CTNGQTDRSA-N 1 0 393.934 3.793 20 30 GHEDRO CC(C)c1ccc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479237071 867385892 /nfs/dbraw/zinc/38/58/92/867385892.db2.gz BMIXTWDPMOGLLX-UHFFFAOYSA-N 1 0 391.515 3.863 20 30 GHEDRO Cc1cc(C)cc(OCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479305049 867510598 /nfs/dbraw/zinc/51/05/98/867510598.db2.gz GMRQIGSORBNGED-UHFFFAOYSA-N 1 0 391.515 3.747 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)CC1 ZINC000534804490 867543238 /nfs/dbraw/zinc/54/32/38/867543238.db2.gz KHUIEMPVGYISJS-UHFFFAOYSA-N 1 0 383.517 3.689 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1(C)C ZINC000445013563 867603229 /nfs/dbraw/zinc/60/32/29/867603229.db2.gz MFYMDMLAJGJNAV-QFIPXVFZSA-N 1 0 399.579 3.920 20 30 GHEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000523605875 867641630 /nfs/dbraw/zinc/64/16/30/867641630.db2.gz ZQHVDRRBWQAJSP-LBPRGKRZSA-N 1 0 384.261 3.516 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479375974 867651424 /nfs/dbraw/zinc/65/14/24/867651424.db2.gz DKPJCONRWIWQKW-MOPGFXCFSA-N 1 0 375.561 3.672 20 30 GHEDRO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457077329 867663379 /nfs/dbraw/zinc/66/33/79/867663379.db2.gz ZZQMLEFFKKHRHJ-UHFFFAOYSA-N 1 0 379.426 3.731 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCn3c(cc4c3cccc4Cl)C2)CC1 ZINC000445073243 867734501 /nfs/dbraw/zinc/73/45/01/867734501.db2.gz HHQZQTSUWRQQNY-UHFFFAOYSA-N 1 0 386.927 3.860 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC000553588449 867735414 /nfs/dbraw/zinc/73/54/14/867735414.db2.gz DVTNMDBBQNUXOB-FQEVSTJZSA-N 1 0 377.479 3.908 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@H](CC)c1ccc(Br)cc1C(F)(F)F ZINC000479428293 867773490 /nfs/dbraw/zinc/77/34/90/867773490.db2.gz XTSVDNMZFWXXSK-CYBMUJFWSA-N 1 0 379.220 3.811 20 30 GHEDRO C=C[C@](C)(O)CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193747 867795883 /nfs/dbraw/zinc/79/58/83/867795883.db2.gz IUOGRGNSNXUAQX-UPVQGACJSA-N 1 0 384.564 3.997 20 30 GHEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000763635053 867898260 /nfs/dbraw/zinc/89/82/60/867898260.db2.gz FCLOCRXTYVSLQK-GCJKJVERSA-N 1 0 383.536 3.749 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)C1 ZINC000857233999 882132631 /nfs/dbraw/zinc/13/26/31/882132631.db2.gz MWPFHVHKKSYFDU-NRFANRHFSA-N 1 0 388.515 3.588 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479525823 867920048 /nfs/dbraw/zinc/92/00/48/867920048.db2.gz MCZAKZLPXMJETE-FQEVSTJZSA-N 1 0 386.584 3.750 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000743197930 867945560 /nfs/dbraw/zinc/94/55/60/867945560.db2.gz KALZTFUDHILVNK-SFHVURJKSA-N 1 0 395.478 3.966 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000743202768 867954493 /nfs/dbraw/zinc/95/44/93/867954493.db2.gz OXIMFMRXSHHINJ-GOSISDBHSA-N 1 0 395.478 3.966 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000743491351 868237619 /nfs/dbraw/zinc/23/76/19/868237619.db2.gz GFRAXFTWQDYGCQ-UHFFFAOYSA-N 1 0 386.417 3.988 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000479639894 868263505 /nfs/dbraw/zinc/26/35/05/868263505.db2.gz BBVFKLMGZYWCBM-SFHVURJKSA-N 1 0 377.529 3.514 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000609071228 868280845 /nfs/dbraw/zinc/28/08/45/868280845.db2.gz WVBOVEXWKXGZDW-ROUUACIJSA-N 1 0 395.503 3.828 20 30 GHEDRO Cc1ccccc1C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000523934100 868291251 /nfs/dbraw/zinc/29/12/51/868291251.db2.gz LKBXRTNPDZZUAP-UHFFFAOYSA-N 1 0 392.547 3.918 20 30 GHEDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1-n1cccc1 ZINC000744098520 868594250 /nfs/dbraw/zinc/59/42/50/868594250.db2.gz RRVYZLBIKQTSBO-UHFFFAOYSA-N 1 0 386.499 3.861 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157476156 868664521 /nfs/dbraw/zinc/66/45/21/868664521.db2.gz PAOJONUPIXJQKM-OAQYLSRUSA-N 1 0 382.552 3.500 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000535416849 868745279 /nfs/dbraw/zinc/74/52/79/868745279.db2.gz DCEWAAHZHGUFPC-UHFFFAOYSA-N 1 0 381.476 3.735 20 30 GHEDRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)ccc1C#N ZINC000440823052 868763160 /nfs/dbraw/zinc/76/31/60/868763160.db2.gz COXNPGMFDDGPCA-QHCPKHFHSA-N 1 0 399.494 3.931 20 30 GHEDRO C=CCC[C@H](NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000535520212 868894019 /nfs/dbraw/zinc/89/40/19/868894019.db2.gz OZBFFZNPYLQNKO-VABKMULXSA-N 1 0 393.531 3.629 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508847669 868935630 /nfs/dbraw/zinc/93/56/30/868935630.db2.gz KZPBPFOUWAUIGX-FUHWJXTLSA-N 1 0 387.503 3.520 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000122249554 869207389 /nfs/dbraw/zinc/20/73/89/869207389.db2.gz SGTVWLOBBCBHIU-WZONZLPQSA-N 1 0 391.515 3.940 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 ZINC000539496234 869219858 /nfs/dbraw/zinc/21/98/58/869219858.db2.gz JJOTVHFQMJTKCQ-ZBFHGGJFSA-N 1 0 378.394 3.959 20 30 GHEDRO C=CC[N@H+](Cc1cccc(OC(C)(C)C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000508853584 869292126 /nfs/dbraw/zinc/29/21/26/869292126.db2.gz AXNMJXDWQGDWRD-KRWDZBQOSA-N 1 0 392.507 3.984 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(C#N)c(F)c1 ZINC000539608323 869436229 /nfs/dbraw/zinc/43/62/29/869436229.db2.gz FFJVTSVXCXJSEN-BBATYDOGSA-N 1 0 375.806 3.946 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000793603428 882309459 /nfs/dbraw/zinc/30/94/59/882309459.db2.gz AMQNPCCSVARCJA-HTAPYJJXSA-N 1 0 385.508 3.810 20 30 GHEDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000524884466 869729675 /nfs/dbraw/zinc/72/96/75/869729675.db2.gz ICYBRVQSPARXGF-RBBKRZOGSA-N 1 0 398.528 3.583 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2ccc(C#N)cc2F)CC1 ZINC000525117487 870016605 /nfs/dbraw/zinc/01/66/05/870016605.db2.gz UAZNXRGIBICHEA-UHFFFAOYSA-N 1 0 397.519 3.832 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1OCC ZINC000462767269 870034027 /nfs/dbraw/zinc/03/40/27/870034027.db2.gz KORCGMANUOAVJH-HIFRSBDPSA-N 1 0 384.314 3.927 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000525134463 870061193 /nfs/dbraw/zinc/06/11/93/870061193.db2.gz AOTDDSGZTGCDTC-HXUWFJFHSA-N 1 0 379.529 3.728 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462815658 870145047 /nfs/dbraw/zinc/14/50/47/870145047.db2.gz IWHCONYJYZJCQP-LJQANCHMSA-N 1 0 388.490 3.952 20 30 GHEDRO C=C(C)COc1cc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)ccc1OC ZINC000462869139 870249273 /nfs/dbraw/zinc/24/92/73/870249273.db2.gz DVVQZZJUCFEINH-NRFANRHFSA-N 1 0 382.504 3.829 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(Cl)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000538700713 870333966 /nfs/dbraw/zinc/33/39/66/870333966.db2.gz ZVDOSFAMQVIZJD-RTWAWAEBSA-N 1 0 395.890 3.928 20 30 GHEDRO CCCCCCC[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000793789925 882411945 /nfs/dbraw/zinc/41/19/45/882411945.db2.gz HDNZBXAICNSJSX-WOJBJXKFSA-N 1 0 379.589 3.576 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNc1c(C#N)nnc2ccccc21 ZINC000525365968 870508649 /nfs/dbraw/zinc/50/86/49/870508649.db2.gz MUMMTDWFICYVIH-UHFFFAOYSA-N 1 0 375.476 3.834 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cc(Cl)ccc1OC(F)F ZINC001192625456 870573739 /nfs/dbraw/zinc/57/37/39/870573739.db2.gz COPMPQKKALTFHF-JSGCOSHPSA-N 1 0 388.842 3.663 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1 ZINC001192709193 870634468 /nfs/dbraw/zinc/63/44/68/870634468.db2.gz LARWGGWJWSSTMB-OAQYLSRUSA-N 1 0 383.561 3.689 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000538810682 870674334 /nfs/dbraw/zinc/67/43/34/870674334.db2.gz YQAYWQAPZFXGJD-YADHBBJMSA-N 1 0 380.513 3.844 20 30 GHEDRO C[C@@H]1CN([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)c2c(F)cccc2Cl)CCO1 ZINC000248911607 870688590 /nfs/dbraw/zinc/68/85/90/870688590.db2.gz VLSSWGXWZCGJBS-OAFZBRQQSA-N 1 0 379.907 3.913 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1OCCCO ZINC000463036821 870714886 /nfs/dbraw/zinc/71/48/86/870714886.db2.gz SCHQSPUWUDIUPU-GFCCVEGCSA-N 1 0 395.322 3.994 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000746448526 870745613 /nfs/dbraw/zinc/74/56/13/870745613.db2.gz DOIIGLDPDIJFHY-TZIWHRDSSA-N 1 0 398.551 3.516 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)c(F)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000793881391 882457772 /nfs/dbraw/zinc/45/77/72/882457772.db2.gz JWTDZCHRGGMFNK-INIZCTEOSA-N 1 0 383.467 3.681 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000540327864 871030084 /nfs/dbraw/zinc/03/00/84/871030084.db2.gz GFQGIUMVZPSJFX-AEFFLSMTSA-N 1 0 383.517 3.590 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429712464 871032199 /nfs/dbraw/zinc/03/21/99/871032199.db2.gz BPIIKVJXEOLWSK-KDURUIRLSA-N 1 0 393.535 3.562 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429712465 871032972 /nfs/dbraw/zinc/03/29/72/871032972.db2.gz BPIIKVJXEOLWSK-OALUTQOASA-N 1 0 393.535 3.562 20 30 GHEDRO N#Cc1ccnc(C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)c1 ZINC001193423228 871101639 /nfs/dbraw/zinc/10/16/39/871101639.db2.gz SBNJSHNOKVTTSM-UHFFFAOYSA-N 1 0 386.293 3.897 20 30 GHEDRO COc1ccccc1C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC001169124215 871214566 /nfs/dbraw/zinc/21/45/66/871214566.db2.gz NGRVVMNHENAGFT-YADHBBJMSA-N 1 0 391.515 3.919 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000461890827 871218836 /nfs/dbraw/zinc/21/88/36/871218836.db2.gz SHWAOTTZPICNBW-UHFFFAOYSA-N 1 0 381.495 3.553 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000428809062 871250037 /nfs/dbraw/zinc/25/00/37/871250037.db2.gz OZEGYPYALPWXOA-KRWDZBQOSA-N 1 0 377.366 3.504 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H](CC)Cc1ccc3c(c1)OCO3)CCO2 ZINC001170439948 882490993 /nfs/dbraw/zinc/49/09/93/882490993.db2.gz APUWBMGFHZGULK-MIZPHKNDSA-N 1 0 387.520 3.810 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(-n2cnnn2)cc1 ZINC000539081930 871274964 /nfs/dbraw/zinc/27/49/64/871274964.db2.gz ANIAAAXFHWDKJR-YLZJTPGZSA-N 1 0 388.475 3.575 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000540459791 871314996 /nfs/dbraw/zinc/31/49/96/871314996.db2.gz QAFMTGNMDCKMFU-GMAHTHKFSA-N 1 0 379.504 3.589 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000428476091 871319760 /nfs/dbraw/zinc/31/97/60/871319760.db2.gz PKEQMVABWJQZTQ-UHFFFAOYSA-N 1 0 387.487 3.641 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000462037816 871489090 /nfs/dbraw/zinc/48/90/90/871489090.db2.gz KPELZEZTANUGFT-UHFFFAOYSA-N 1 0 383.561 3.783 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCOCC2)cc1 ZINC000069783801 871509625 /nfs/dbraw/zinc/50/96/25/871509625.db2.gz DUJLIIGOZWGMCX-XMMPIXPASA-N 1 0 392.547 3.508 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463399755 871629002 /nfs/dbraw/zinc/62/90/02/871629002.db2.gz JVLSJFGHHUCNET-FFZOFVMBSA-N 1 0 387.524 3.512 20 30 GHEDRO N#Cc1ccc(Cl)nc1-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001169608545 871671761 /nfs/dbraw/zinc/67/17/61/871671761.db2.gz NZXLTLMLZGYYLM-UHFFFAOYSA-N 1 0 380.757 3.950 20 30 GHEDRO COC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)c(F)c1 ZINC000539318976 871679916 /nfs/dbraw/zinc/67/99/16/871679916.db2.gz BHCSWCDMPFHKBI-JXFKEZNVSA-N 1 0 389.421 3.922 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000539334318 871717549 /nfs/dbraw/zinc/71/75/49/871717549.db2.gz RWYGXLQALWNXCF-UHFFFAOYSA-N 1 0 382.485 3.911 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)s1 ZINC000540614100 871720718 /nfs/dbraw/zinc/72/07/18/871720718.db2.gz CYGLWYIZXXYJSZ-NRFANRHFSA-N 1 0 375.497 3.637 20 30 GHEDRO COc1ccc(OC)c(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182081470 871806165 /nfs/dbraw/zinc/80/61/65/871806165.db2.gz XFBVKMIOHNNIAE-UHFFFAOYSA-N 1 0 393.531 3.762 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000455920440 871828020 /nfs/dbraw/zinc/82/80/20/871828020.db2.gz NMJBAENCLBAKQN-UHFFFAOYSA-N 1 0 376.504 3.925 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(Nc2cc(Cl)nn(-c3ccccc3)c2=O)cc1C#N ZINC001169831533 871899949 /nfs/dbraw/zinc/89/99/49/871899949.db2.gz LTHCGRKMCHRSIJ-YDZHTSKRSA-N 1 0 392.850 3.723 20 30 GHEDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000447576543 871920315 /nfs/dbraw/zinc/92/03/15/871920315.db2.gz ZEYJGZHWRVSXKV-AEFFLSMTSA-N 1 0 389.293 3.801 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000540707418 871946168 /nfs/dbraw/zinc/94/61/68/871946168.db2.gz AFDBOJFUINCCDL-MGPUTAFESA-N 1 0 383.467 3.966 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429722830 872014321 /nfs/dbraw/zinc/01/43/21/872014321.db2.gz UAAHRMJCMMIEJM-LJQANCHMSA-N 1 0 393.535 3.848 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC001194930776 872036588 /nfs/dbraw/zinc/03/65/88/872036588.db2.gz HAQOADOFNPYBHL-QFIPXVFZSA-N 1 0 380.488 3.829 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2C[C@@H](OCC)C23CCC3)cc1 ZINC000477867809 872048033 /nfs/dbraw/zinc/04/80/33/872048033.db2.gz UKKRKYHIEHRKJT-LEWJYISDSA-N 1 0 399.535 3.611 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)cc1Cl ZINC001169957691 872055487 /nfs/dbraw/zinc/05/54/87/872055487.db2.gz WRISELOFRWBDCN-MRXNPFEDSA-N 1 0 376.884 3.741 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NCC(F)(F)F)cc1 ZINC000101535122 872071758 /nfs/dbraw/zinc/07/17/58/872071758.db2.gz HUYBGEYBSLLPAI-UHFFFAOYSA-O 1 0 381.443 3.936 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCO1 ZINC000182306108 872168218 /nfs/dbraw/zinc/16/82/18/872168218.db2.gz FYFFKKGCTWUVNJ-IAGOWNOFSA-N 1 0 375.538 3.764 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)cc1 ZINC001195123624 872184836 /nfs/dbraw/zinc/18/48/36/872184836.db2.gz VTWWSWCNHNDXII-QUCCMNQESA-N 1 0 397.544 3.835 20 30 GHEDRO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001195153273 872219346 /nfs/dbraw/zinc/21/93/46/872219346.db2.gz AVFGQJJJXFMHAE-FGZHOGPDSA-N 1 0 382.529 3.990 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000182379008 872270192 /nfs/dbraw/zinc/27/01/92/872270192.db2.gz SZXNENBOXCOKAS-UHFFFAOYSA-N 1 0 397.972 3.734 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2cc(F)ccc2F)[n+]2ccccc2)cn1 ZINC000101900398 872354020 /nfs/dbraw/zinc/35/40/20/872354020.db2.gz CMGWIAXGTLFFJN-UHFFFAOYSA-O 1 0 387.435 3.520 20 30 GHEDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000619179024 872396640 /nfs/dbraw/zinc/39/66/40/872396640.db2.gz XXFRQCMZZUTZAJ-JKSUJKDBSA-N 1 0 389.565 3.843 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)c1 ZINC001195437733 872421684 /nfs/dbraw/zinc/42/16/84/872421684.db2.gz VLPLQEVYRAVKGS-UHFFFAOYSA-N 1 0 386.499 3.785 20 30 GHEDRO Cc1cn(-c2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)c(=O)[nH]1 ZINC000526992969 872442487 /nfs/dbraw/zinc/44/24/87/872442487.db2.gz BFBMSBHCCFJIPX-UHFFFAOYSA-N 1 0 387.487 3.835 20 30 GHEDRO C[NH+]1CCC(N(C(=O)c2cc(-c3cccc(C#N)c3)no2)c2ccccc2)CC1 ZINC000619216495 872455121 /nfs/dbraw/zinc/45/51/21/872455121.db2.gz BTHUNGHDRSXHAQ-UHFFFAOYSA-N 1 0 386.455 3.954 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCCO)Cc3cccc(Cl)c3)C2=O)cc1 ZINC000447888251 872477188 /nfs/dbraw/zinc/47/71/88/872477188.db2.gz JGSCJSSFDOWUIY-OAQYLSRUSA-N 1 0 397.906 3.592 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000767425746 872511297 /nfs/dbraw/zinc/51/12/97/872511297.db2.gz MORGQCJMZDEFHY-ACJLOTCBSA-N 1 0 375.266 3.563 20 30 GHEDRO CC(C)Nc1nc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC001195692391 872586540 /nfs/dbraw/zinc/58/65/40/872586540.db2.gz RNXOIMJFGJJQEJ-IYARVYRRSA-N 1 0 397.548 3.747 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000527074121 872607551 /nfs/dbraw/zinc/60/75/51/872607551.db2.gz WHQXAYWDCHYAHZ-UHFFFAOYSA-N 1 0 391.450 3.758 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000527099927 872651573 /nfs/dbraw/zinc/65/15/73/872651573.db2.gz OUSSPBOHVOFNMP-HRTMPFAESA-N 1 0 385.471 3.812 20 30 GHEDRO Clc1cccc(C#CCN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001195778104 872656367 /nfs/dbraw/zinc/65/63/67/872656367.db2.gz PKWCIJPSCUEQOF-GOTSBHOMSA-N 1 0 380.919 3.667 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540992943 872690007 /nfs/dbraw/zinc/69/00/07/872690007.db2.gz COHHJHJAXVLFCT-VQIMIIECSA-N 1 0 392.906 3.807 20 30 GHEDRO C[C@]1(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1(Cl)Cl ZINC001195892174 872715317 /nfs/dbraw/zinc/71/53/17/872715317.db2.gz FERUMTSYVBQPHW-GOSISDBHSA-N 1 0 390.318 3.654 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)N[C@@H](C[NH+]3CCCCC3)c3ccccc3)n2)c1 ZINC000619612048 872783128 /nfs/dbraw/zinc/78/31/28/872783128.db2.gz UMXIBPSRKRGXRZ-QHCPKHFHSA-N 1 0 399.498 3.701 20 30 GHEDRO COCCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000460351024 872787170 /nfs/dbraw/zinc/78/71/70/872787170.db2.gz YLEJBONLDKBOBZ-UHFFFAOYSA-N 1 0 377.488 3.837 20 30 GHEDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000541056236 872810091 /nfs/dbraw/zinc/81/00/91/872810091.db2.gz ZRSISAPFHVGXGJ-UZLBHIALSA-N 1 0 397.544 3.905 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc(C#N)ccc2NC2CC2)CC1 ZINC000552576604 872844321 /nfs/dbraw/zinc/84/43/21/872844321.db2.gz GMXRHIINSXIUFS-UHFFFAOYSA-N 1 0 375.476 3.691 20 30 GHEDRO C#Cc1ccc(NC(=O)CCN2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cc1 ZINC001196129092 872886579 /nfs/dbraw/zinc/88/65/79/872886579.db2.gz DXCNAWPEWSEXNS-XMMPIXPASA-N 1 0 389.543 3.839 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000767876445 872930598 /nfs/dbraw/zinc/93/05/98/872930598.db2.gz PGCOZLFPQCEIQF-GOSISDBHSA-N 1 0 387.405 3.683 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000191923701 882669441 /nfs/dbraw/zinc/66/94/41/882669441.db2.gz RPMAWQDAKGOCSX-UHFFFAOYSA-N 1 0 385.552 3.714 20 30 GHEDRO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000527385086 873094263 /nfs/dbraw/zinc/09/42/63/873094263.db2.gz MFOABIQEGDDKOQ-IAGOWNOFSA-N 1 0 379.426 3.836 20 30 GHEDRO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000527385085 873094555 /nfs/dbraw/zinc/09/45/55/873094555.db2.gz MFOABIQEGDDKOQ-DLBZAZTESA-N 1 0 379.426 3.836 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000768219284 873172475 /nfs/dbraw/zinc/17/24/75/873172475.db2.gz GBWMCMIEJCNBPV-FQEVSTJZSA-N 1 0 375.513 3.553 20 30 GHEDRO C#CCCCCCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC001168095769 873362448 /nfs/dbraw/zinc/36/24/48/873362448.db2.gz ALQIKJDJMWHOGS-HXUWFJFHSA-N 1 0 376.566 3.569 20 30 GHEDRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001197032748 873556619 /nfs/dbraw/zinc/55/66/19/873556619.db2.gz SDPXACWYIRODEZ-UHFFFAOYSA-N 1 0 386.540 3.765 20 30 GHEDRO N#Cc1ccc(SCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000609129293 873580089 /nfs/dbraw/zinc/58/00/89/873580089.db2.gz TVUYUXQHZYBIKI-FQEVSTJZSA-N 1 0 379.529 3.679 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Oc4cnccn4)cc3)CCOCC2)cc1 ZINC000527808813 873595441 /nfs/dbraw/zinc/59/54/41/873595441.db2.gz DAKUBFFEMZARON-UHFFFAOYSA-N 1 0 386.455 3.936 20 30 GHEDRO CCc1cc(C(=O)N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)ccc1C#N ZINC001197275666 873687552 /nfs/dbraw/zinc/68/75/52/873687552.db2.gz RYOVDLYMIKXTKR-UHFFFAOYSA-N 1 0 384.483 3.940 20 30 GHEDRO CCc1cc(C(=O)N(c2cccc(C)c2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)ccc1C#N ZINC001197274483 873687957 /nfs/dbraw/zinc/68/79/57/873687957.db2.gz DXJMFYPTOXKIBQ-LADGPHEKSA-N 1 0 389.499 3.597 20 30 GHEDRO COc1ccccc1C[C@@](C)(CO)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001197305329 873695415 /nfs/dbraw/zinc/69/54/15/873695415.db2.gz YWMHVTZSVIBVJS-FQEVSTJZSA-N 1 0 377.406 3.649 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1CC#N)c1cccc(C(F)(F)F)c1 ZINC000769025218 873749622 /nfs/dbraw/zinc/74/96/22/873749622.db2.gz IXAAQHKSPPHWJT-IBGZPJMESA-N 1 0 389.421 3.733 20 30 GHEDRO C=CCc1cc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)cc(OC)c1O ZINC000768999335 873763997 /nfs/dbraw/zinc/76/39/97/873763997.db2.gz VMGLOMGVCMGTKX-UHFFFAOYSA-N 1 0 382.504 3.850 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000775774078 873834044 /nfs/dbraw/zinc/83/40/44/873834044.db2.gz LEYYKEONLGPITF-WIYYLYMNSA-N 1 0 394.519 3.687 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769195114 873876429 /nfs/dbraw/zinc/87/64/29/873876429.db2.gz JIEDTQFDHAOLHC-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528032429 873897679 /nfs/dbraw/zinc/89/76/79/873897679.db2.gz AGZQFMXWTADFHU-FCHUYYIVSA-N 1 0 379.479 3.781 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC001197646958 873944658 /nfs/dbraw/zinc/94/46/58/873944658.db2.gz MIOYGGYKAFVVAN-QGZVFWFLSA-N 1 0 380.448 3.809 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000769296810 873945745 /nfs/dbraw/zinc/94/57/45/873945745.db2.gz BKJPEXYQXPTWON-QFIPXVFZSA-N 1 0 378.472 3.865 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001197694125 873985709 /nfs/dbraw/zinc/98/57/09/873985709.db2.gz JJCHYWGMVGUJFQ-UHFFFAOYSA-N 1 0 380.517 3.836 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C1 ZINC001197701865 873989183 /nfs/dbraw/zinc/98/91/83/873989183.db2.gz PCMOUXNJPZNMOD-INIZCTEOSA-N 1 0 395.890 3.876 20 30 GHEDRO C/C=C\COc1cccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000448816719 873992233 /nfs/dbraw/zinc/99/22/33/873992233.db2.gz SUTLXMGLXCZZBD-PLNGDYQASA-N 1 0 391.515 3.646 20 30 GHEDRO C=CCOc1ccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000448827277 874025613 /nfs/dbraw/zinc/02/56/13/874025613.db2.gz BSUUIWJIJOVTOL-UHFFFAOYSA-N 1 0 384.545 3.884 20 30 GHEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000769404683 874026479 /nfs/dbraw/zinc/02/64/79/874026479.db2.gz PWKFGCNGHKMIFT-QFIPXVFZSA-N 1 0 376.504 3.664 20 30 GHEDRO C#CCCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1 ZINC000769415538 874032384 /nfs/dbraw/zinc/03/23/84/874032384.db2.gz VJRSFQOTWOVAII-UHFFFAOYSA-N 1 0 378.520 3.626 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)cc1 ZINC001197796445 874053789 /nfs/dbraw/zinc/05/37/89/874053789.db2.gz DOAUDHLRNOLAJM-VQTJNVASSA-N 1 0 382.552 3.579 20 30 GHEDRO CN(C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1)C(=O)OC(C)(C)C ZINC000769549651 874151917 /nfs/dbraw/zinc/15/19/17/874151917.db2.gz VOHVFPPKRAWHAC-HXUWFJFHSA-N 1 0 386.540 3.868 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CCCCC1 ZINC001198084746 874204962 /nfs/dbraw/zinc/20/49/62/874204962.db2.gz KQRHOHQSYRFECA-RTBURBONSA-N 1 0 383.536 3.555 20 30 GHEDRO Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(c4ccc(C#N)cc4)CC3)c2cc1C ZINC001198209878 874274754 /nfs/dbraw/zinc/27/47/54/874274754.db2.gz AEFPNWVYBJBLAQ-JOCHJYFZSA-N 1 0 388.515 3.765 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449067940 874445069 /nfs/dbraw/zinc/44/50/69/874445069.db2.gz PGGLESVBRVYGRN-VQSBYGRUSA-N 1 0 377.554 3.840 20 30 GHEDRO Cn1cc([C@H]2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)nn1 ZINC001198611549 874519814 /nfs/dbraw/zinc/51/98/14/874519814.db2.gz ASAOMCZMPFMMDF-FQEVSTJZSA-N 1 0 385.515 3.894 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccnc1Br)C(C)C ZINC000770275862 874561666 /nfs/dbraw/zinc/56/16/66/874561666.db2.gz VGXKXNGLQUINKP-OAHLLOKOSA-N 1 0 381.318 3.664 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000770380767 874622091 /nfs/dbraw/zinc/62/20/91/874622091.db2.gz OLLUVCBWXFUYJU-MJGOQNOKSA-N 1 0 386.540 3.914 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)cc1 ZINC000528577746 874734687 /nfs/dbraw/zinc/73/46/87/874734687.db2.gz LXXLLLPMVNBTCN-FQEVSTJZSA-N 1 0 380.492 3.587 20 30 GHEDRO COCCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000528572748 874756495 /nfs/dbraw/zinc/75/64/95/874756495.db2.gz HEEWAUMMUKGHNT-UHFFFAOYSA-N 1 0 375.538 3.576 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2=CCOCC2)cc1OCC ZINC000449402653 874818473 /nfs/dbraw/zinc/81/84/73/874818473.db2.gz MJBDSIZOSMAINK-UHFFFAOYSA-N 1 0 382.298 3.849 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542091199 874932090 /nfs/dbraw/zinc/93/20/90/874932090.db2.gz SOUZZOLXVLFFKK-MBSDFSHPSA-N 1 0 386.499 3.942 20 30 GHEDRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(C#N)cs2)cc1Br ZINC000449601365 875125467 /nfs/dbraw/zinc/12/54/67/875125467.db2.gz RGLQHNBOHPMKKR-OAHLLOKOSA-N 1 0 379.323 3.632 20 30 GHEDRO C=CCSc1ncccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001199739335 875157995 /nfs/dbraw/zinc/15/79/95/875157995.db2.gz FGSGCKXJZUWFNR-UHFFFAOYSA-N 1 0 392.528 3.648 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1OC ZINC000449655189 875187867 /nfs/dbraw/zinc/18/78/67/875187867.db2.gz GPYMKAIPIAELHO-DUXKGJEZSA-N 1 0 385.508 3.743 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000771456332 875254802 /nfs/dbraw/zinc/25/48/02/875254802.db2.gz BNJMXNITCPUFQN-UHFFFAOYSA-N 1 0 392.503 3.864 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1)CC1CC1 ZINC000771432413 875265140 /nfs/dbraw/zinc/26/51/40/875265140.db2.gz MZYILQSXMFJHKD-UHFFFAOYSA-N 1 0 398.551 3.633 20 30 GHEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000542322129 875383455 /nfs/dbraw/zinc/38/34/55/875383455.db2.gz GECDPTSIBBUFPM-LADGPHEKSA-N 1 0 376.500 3.978 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000776147707 875581539 /nfs/dbraw/zinc/58/15/39/875581539.db2.gz ALTFZWMEPOLMEB-FCHUYYIVSA-N 1 0 378.520 3.909 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000106034199 875711179 /nfs/dbraw/zinc/71/11/79/875711179.db2.gz GSADYCZRPVULTR-UHFFFAOYSA-N 1 0 392.425 3.661 20 30 GHEDRO Cc1cc2ccccc2n1CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000029985097 875765226 /nfs/dbraw/zinc/76/52/26/875765226.db2.gz UCABJVXHWQYNIM-UHFFFAOYSA-N 1 0 386.499 3.556 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C#N ZINC000529209836 875830506 /nfs/dbraw/zinc/83/05/06/875830506.db2.gz BIHABZWMUINSPK-QZTJIDSGSA-N 1 0 384.524 3.823 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCc3ccco3)OC[C@H]2C1 ZINC001201815140 875873380 /nfs/dbraw/zinc/87/33/80/875873380.db2.gz XHPAOGDCOIISCV-HMXCVIKNSA-N 1 0 376.541 3.983 20 30 GHEDRO CCCCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccn3C)CCO[C@@H]2C1 ZINC001201846184 875901273 /nfs/dbraw/zinc/90/12/73/875901273.db2.gz DOLTYIXMUCQGTK-TZIWHRDSSA-N 1 0 375.557 3.549 20 30 GHEDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000151798468 875927414 /nfs/dbraw/zinc/92/74/14/875927414.db2.gz WCTVJTIMYHUHII-KGLIPLIRSA-N 1 0 385.489 3.783 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1)[C@@H]1CCCO1 ZINC001202075052 876004790 /nfs/dbraw/zinc/00/47/90/876004790.db2.gz YAFNEGMEDUEBRT-SJORKVTESA-N 1 0 396.325 3.907 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)cc1 ZINC000785555403 876107146 /nfs/dbraw/zinc/10/71/46/876107146.db2.gz YDHHXOLCMGPHKS-UHFFFAOYSA-N 1 0 382.939 3.838 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccc(C)c(F)c2)c1 ZINC000151919620 876121161 /nfs/dbraw/zinc/12/11/61/876121161.db2.gz FPLPQVHWTZHJFT-UHFFFAOYSA-O 1 0 383.472 3.514 20 30 GHEDRO N#Cc1c(Cl)cccc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450294645 876236827 /nfs/dbraw/zinc/23/68/27/876236827.db2.gz PWUCTMQHMAOVIP-SFHVURJKSA-N 1 0 395.938 3.645 20 30 GHEDRO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000443886053 876355138 /nfs/dbraw/zinc/35/51/38/876355138.db2.gz SIXZKFZAFCRSSD-NYVOZVTQSA-N 1 0 385.552 3.822 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C(C)(C)C2CCOCC2)c1C#N ZINC000786164110 876491357 /nfs/dbraw/zinc/49/13/57/876491357.db2.gz AGCBABFPUHULNQ-UHFFFAOYSA-N 1 0 394.519 3.699 20 30 GHEDRO C[NH+](C)C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)c(Cl)c1 ZINC000529670387 876494804 /nfs/dbraw/zinc/49/48/04/876494804.db2.gz TUZNEHIJCWAPLR-GOSISDBHSA-N 1 0 388.302 3.905 20 30 GHEDRO Cc1nn2c(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)c(C(C)C)nc2s1 ZINC000529674170 876505897 /nfs/dbraw/zinc/50/58/97/876505897.db2.gz JHAVUHRJQBWULL-UHFFFAOYSA-N 1 0 395.532 3.890 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492272913 876568328 /nfs/dbraw/zinc/56/83/28/876568328.db2.gz RXBMXLDCDWQHIP-QFBILLFUSA-N 1 0 378.476 3.599 20 30 GHEDRO CC(C)c1nnc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)s1 ZINC000492293778 876591285 /nfs/dbraw/zinc/59/12/85/876591285.db2.gz LIULRMOGJJMICG-UHFFFAOYSA-N 1 0 380.521 3.771 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000173882640 876701321 /nfs/dbraw/zinc/70/13/21/876701321.db2.gz DAIKKXOIAFLOQP-UHFFFAOYSA-N 1 0 376.504 3.639 20 30 GHEDRO COC[C@]1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000850296888 876792682 /nfs/dbraw/zinc/79/26/82/876792682.db2.gz ZDKGMOIUVNFTJP-HSZRJFAPSA-N 1 0 399.535 3.747 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(C(C)=O)c1 ZINC000450747476 876848315 /nfs/dbraw/zinc/84/83/15/876848315.db2.gz UFWLFVSWAPKOQU-UHFFFAOYSA-N 1 0 384.549 3.987 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)O2 ZINC000850386261 876872246 /nfs/dbraw/zinc/87/22/46/876872246.db2.gz OUFLOBMRCBBZMB-LJQANCHMSA-N 1 0 399.535 3.746 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)cc1F ZINC000850541904 877010285 /nfs/dbraw/zinc/01/02/85/877010285.db2.gz DNBCZBYSEKWOIP-HOCLYGCPSA-N 1 0 389.471 3.516 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786892423 877011055 /nfs/dbraw/zinc/01/10/55/877011055.db2.gz RKYJKDBVJUUQCY-QFBILLFUSA-N 1 0 390.549 3.601 20 30 GHEDRO COc1c(CNC(Nc2ccccc2)=[NH+]Cc2ccc(C)cc2)c(C)nn1C ZINC000305792408 877038347 /nfs/dbraw/zinc/03/83/47/877038347.db2.gz HZLBZUPAMQUWAE-UHFFFAOYSA-N 1 0 377.492 3.803 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000786981428 877086131 /nfs/dbraw/zinc/08/61/31/877086131.db2.gz YGZGGNSPLDOZHD-ZHRRBRCNSA-N 1 0 398.453 3.819 20 30 GHEDRO C=C(C)COc1cc(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1OC ZINC000136565903 877258768 /nfs/dbraw/zinc/25/87/68/877258768.db2.gz PWGTXAPQFPIQJE-LEWJYISDSA-N 1 0 388.552 3.508 20 30 GHEDRO C#CC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 ZINC000787250324 877266967 /nfs/dbraw/zinc/26/69/67/877266967.db2.gz TXKXQOWVTUEWSY-JSGCOSHPSA-N 1 0 392.215 3.521 20 30 GHEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N[C@@H]1CCOc2ccccc21 ZINC000262697086 877284537 /nfs/dbraw/zinc/28/45/37/877284537.db2.gz FEFDZIUDZAECOE-GVDBMIGSSA-N 1 0 386.293 3.733 20 30 GHEDRO C=CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000477311066 877408564 /nfs/dbraw/zinc/40/85/64/877408564.db2.gz URRRNVRNYSDXKG-GOSISDBHSA-N 1 0 388.475 3.552 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2ccc([N+](=O)[O-])cc2OC)c1C ZINC000746682114 877409832 /nfs/dbraw/zinc/40/98/32/877409832.db2.gz QCKZAUIIQNCSTD-IBGZPJMESA-N 1 0 399.495 3.952 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064742231 877411596 /nfs/dbraw/zinc/41/15/96/877411596.db2.gz ORZZAKPTTLMOOU-FQEVSTJZSA-N 1 0 378.476 3.834 20 30 GHEDRO CO[C@H](C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000851108166 877413947 /nfs/dbraw/zinc/41/39/47/877413947.db2.gz AMAANBPGTOUMDT-NRFANRHFSA-N 1 0 384.520 3.931 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC001183076418 912235155 /nfs/dbraw/zinc/23/51/55/912235155.db2.gz ZUXORKRGOLBJOQ-UHFFFAOYSA-N 1 0 379.460 3.538 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001183076003 912235172 /nfs/dbraw/zinc/23/51/72/912235172.db2.gz MNTGSXXYBVFQQP-GOSISDBHSA-N 1 0 377.326 3.635 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000610132590 877447826 /nfs/dbraw/zinc/44/78/26/877447826.db2.gz HSMGJGGJZZXAAZ-UHFFFAOYSA-N 1 0 393.878 3.626 20 30 GHEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000451251609 877665823 /nfs/dbraw/zinc/66/58/23/877665823.db2.gz GDKAWICOUPZIMJ-NHCUHLMSSA-N 1 0 380.488 3.739 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451290549 877729771 /nfs/dbraw/zinc/72/97/71/877729771.db2.gz ZIKBNTCJVQMSHZ-PKOBYXMFSA-N 1 0 389.268 3.621 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cn2)C[C@H](C)O1 ZINC000237667176 877757410 /nfs/dbraw/zinc/75/74/10/877757410.db2.gz ZPGATTGZPUNLRO-KDURUIRLSA-N 1 0 394.519 3.668 20 30 GHEDRO C#CCC1(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)CCCCC1 ZINC000788179928 877873724 /nfs/dbraw/zinc/87/37/24/877873724.db2.gz XYOGUVZJKHITSL-UHFFFAOYSA-N 1 0 382.548 3.997 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000245435148 877874241 /nfs/dbraw/zinc/87/42/41/877874241.db2.gz CQYRJMONNPXMQW-MSOLQXFVSA-N 1 0 388.581 3.541 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@H](CCCO)c2ccccc2)sc2c1CCCCC2 ZINC000179728358 877909508 /nfs/dbraw/zinc/90/95/08/877909508.db2.gz QIDYMVQZYFUHRU-LJQANCHMSA-N 1 0 397.544 3.931 20 30 GHEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1(C)C ZINC000451492715 878039455 /nfs/dbraw/zinc/03/94/55/878039455.db2.gz DUNKMBRQVGVZAG-WTVLQJKYSA-N 1 0 375.538 3.526 20 30 GHEDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1(C)C ZINC000451495003 878044889 /nfs/dbraw/zinc/04/48/89/878044889.db2.gz SUURLLRQADPEOL-CFLQYTFWSA-N 1 0 375.538 3.813 20 30 GHEDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000451526875 878088779 /nfs/dbraw/zinc/08/87/79/878088779.db2.gz OGIBOXRGTCEFDO-RHSMWYFYSA-N 1 0 375.538 3.574 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000237822873 878096847 /nfs/dbraw/zinc/09/68/47/878096847.db2.gz XGBRIBLFURXMCI-FQEVSTJZSA-N 1 0 385.533 3.594 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000477739903 878114305 /nfs/dbraw/zinc/11/43/05/878114305.db2.gz GJZJWHJYVJBEGW-PXNSSMCTSA-N 1 0 377.479 3.955 20 30 GHEDRO CC[N@H+](CCCC(=O)N[C@H]1CC[C@H](C#N)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC001183153451 912312195 /nfs/dbraw/zinc/31/21/95/912312195.db2.gz ZZTFAUXGFAPMIK-HMXCVIKNSA-N 1 0 385.552 3.927 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1OC ZINC000530590913 878131764 /nfs/dbraw/zinc/13/17/64/878131764.db2.gz GCHSEWITSRUYIY-SFHVURJKSA-N 1 0 388.895 3.946 20 30 GHEDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1(C)C ZINC000451557635 878144951 /nfs/dbraw/zinc/14/49/51/878144951.db2.gz BXWVVFVPKWOGKV-KDOFPFPSSA-N 1 0 389.565 3.820 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000477759370 878149883 /nfs/dbraw/zinc/14/98/83/878149883.db2.gz BIGLXUZAXORPSN-UHFFFAOYSA-N 1 0 387.487 3.992 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCOc1c(Br)cccc1Br ZINC000451615776 878250903 /nfs/dbraw/zinc/25/09/03/878250903.db2.gz XBBDMIOHZNVCJO-OLZOCXBDSA-N 1 0 391.103 3.524 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])C(C)C)n2)cc1 ZINC001212276612 878331507 /nfs/dbraw/zinc/33/15/07/878331507.db2.gz BSWULKNJAIZWTR-IBGZPJMESA-N 1 0 388.512 3.685 20 30 GHEDRO COc1ccc(CC(N)=NOCc2nc(-c3cccs3)oc2C)cc1OC ZINC000068322131 878335938 /nfs/dbraw/zinc/33/59/38/878335938.db2.gz LZRHVKBYVYCZSM-UHFFFAOYSA-N 1 0 387.461 3.760 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000451683659 878338138 /nfs/dbraw/zinc/33/81/38/878338138.db2.gz SJMNRAYUANKPNP-MOPGFXCFSA-N 1 0 383.517 3.636 20 30 GHEDRO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@H+]2CC#Cc2ccc(F)cc2)C1)C(F)(F)F ZINC000852473108 878349737 /nfs/dbraw/zinc/34/97/37/878349737.db2.gz JDRDNYKMFXNFER-MJGOQNOKSA-N 1 0 396.428 3.833 20 30 GHEDRO C=C(Br)C[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475355 878358580 /nfs/dbraw/zinc/35/85/80/878358580.db2.gz ZTOVLTBPGQBWKN-STQMWFEESA-N 1 0 383.252 3.550 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000180071719 878466645 /nfs/dbraw/zinc/46/66/45/878466645.db2.gz CHNBZSVRJKCDTO-IEBWSBKVSA-N 1 0 378.476 3.764 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](O)CC(C)(C)C3)sc2C1 ZINC000451817207 878522912 /nfs/dbraw/zinc/52/29/12/878522912.db2.gz YVXGTKXOKQDPII-CABCVRRESA-N 1 0 389.565 3.556 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@H](O)c1ccc(Cl)cc1 ZINC000852732504 878562709 /nfs/dbraw/zinc/56/27/09/878562709.db2.gz UUKARXDAJTUFRQ-FGZHOGPDSA-N 1 0 399.922 3.934 20 30 GHEDRO C=C(C)COCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000537956975 878585721 /nfs/dbraw/zinc/58/57/21/878585721.db2.gz MYCUCKBCMAVLBT-GOSISDBHSA-N 1 0 394.581 3.931 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000852806655 878613167 /nfs/dbraw/zinc/61/31/67/878613167.db2.gz KDIVJEVTXNVKHA-UHFFFAOYSA-N 1 0 394.327 3.982 20 30 GHEDRO Cc1ccccc1-c1cc(NC(=O)C#CC2CC[NH2+]CC2)n(Cc2ccccc2)n1 ZINC000852808577 878615206 /nfs/dbraw/zinc/61/52/06/878615206.db2.gz CLIDIRKFNPGDHI-UHFFFAOYSA-N 1 0 398.510 3.848 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000852846664 878631971 /nfs/dbraw/zinc/63/19/71/878631971.db2.gz DKKAYTDDAHSZQJ-OAQYLSRUSA-N 1 0 388.845 3.827 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)CCC[NH2+]1 ZINC000852857584 878635192 /nfs/dbraw/zinc/63/51/92/878635192.db2.gz XWIRCSYSYNZNPM-JOCHJYFZSA-N 1 0 379.508 3.698 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000776631924 878664710 /nfs/dbraw/zinc/66/47/10/878664710.db2.gz OCXPZXOIRHVZLT-KAMYIIQDSA-N 1 0 382.479 3.994 20 30 GHEDRO N#CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000245944164 878785172 /nfs/dbraw/zinc/78/51/72/878785172.db2.gz NJYRWISCQAZZOO-FCHUYYIVSA-N 1 0 376.504 3.995 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000538125079 878849031 /nfs/dbraw/zinc/84/90/31/878849031.db2.gz LQPUSOPLTQOXTQ-IUKKYPGJSA-N 1 0 394.519 3.754 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460931661 878850931 /nfs/dbraw/zinc/85/09/31/878850931.db2.gz LTTSGGRCRYPTND-CTNGQTDRSA-N 1 0 397.567 3.642 20 30 GHEDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000789364340 878900601 /nfs/dbraw/zinc/90/06/01/878900601.db2.gz MRWYPHTWPWNVJV-KRWDZBQOSA-N 1 0 379.460 3.977 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C1(c2ccccc2C#N)CC1 ZINC001183293839 912400173 /nfs/dbraw/zinc/40/01/73/912400173.db2.gz UQQSMIOUHDFGQD-CVDCTZTESA-N 1 0 387.527 3.959 20 30 GHEDRO CC(C)COc1ccc(C(C)(C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000538217091 879033353 /nfs/dbraw/zinc/03/33/53/879033353.db2.gz ZTAJZFXSQADQDV-UHFFFAOYSA-N 1 0 379.504 3.734 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000538220956 879039961 /nfs/dbraw/zinc/03/99/61/879039961.db2.gz SFXVLMUKKBSNSG-UHFFFAOYSA-N 1 0 391.515 3.775 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCC[C@@H](CC#N)C2)c1=S ZINC000853525461 879086051 /nfs/dbraw/zinc/08/60/51/879086051.db2.gz FQLJYGRXWLNTPB-IRXDYDNUSA-N 1 0 378.590 3.810 20 30 GHEDRO C=CCn1c(=S)n(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)nc1C1CC1 ZINC000795693179 912419772 /nfs/dbraw/zinc/41/97/72/912419772.db2.gz HJBYSFNEOSVQEW-AABGKKOBSA-N 1 0 396.560 3.939 20 30 GHEDRO N#Cc1ncc(Br)cc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000853618671 879175284 /nfs/dbraw/zinc/17/52/84/879175284.db2.gz LOWQCFBKIXHQFU-HXUWFJFHSA-N 1 0 397.320 3.818 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000531146397 879235243 /nfs/dbraw/zinc/23/52/43/879235243.db2.gz GNBSIHOIAQGTDG-KDURUIRLSA-N 1 0 375.516 3.895 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000188704460 879351296 /nfs/dbraw/zinc/35/12/96/879351296.db2.gz FUWUXOXYGANOQY-UHFFFAOYSA-N 1 0 393.491 3.682 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000853942279 879386698 /nfs/dbraw/zinc/38/66/98/879386698.db2.gz AHXWKJYSJNCFBX-ZRZAMGCNSA-N 1 0 394.563 3.611 20 30 GHEDRO Cn1c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)nc2ccc(Cl)cc21 ZINC000538428451 879464780 /nfs/dbraw/zinc/46/47/80/879464780.db2.gz SMFDBMXPHPCMNZ-UHFFFAOYSA-N 1 0 395.894 3.973 20 30 GHEDRO COCCN(CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000069072053 879485819 /nfs/dbraw/zinc/48/58/19/879485819.db2.gz CSEJKZNNXAZJRG-XMMPIXPASA-N 1 0 391.515 3.583 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)ccc1OCc1cccc(C#N)c1 ZINC000493519844 879495643 /nfs/dbraw/zinc/49/56/43/879495643.db2.gz DTKZBWMGMLYOLN-PKTZIBPZSA-N 1 0 380.488 3.787 20 30 GHEDRO C=CCC[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000627004205 879521929 /nfs/dbraw/zinc/52/19/29/879521929.db2.gz JOTINOCRVQLPMA-MRXNPFEDSA-N 1 0 385.430 3.520 20 30 GHEDRO Cn1cc(-c2ccnc(C3CC[NH+](CC#Cc4ccc(Cl)cc4)CC3)n2)cn1 ZINC000854103766 879536510 /nfs/dbraw/zinc/53/65/10/879536510.db2.gz QOTMQUHFDPVDIB-UHFFFAOYSA-N 1 0 391.906 3.762 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)C2=O)cc1 ZINC000790312210 879588943 /nfs/dbraw/zinc/58/89/43/879588943.db2.gz YVBSWGAAMJFJMW-RJGXRXQPSA-N 1 0 389.499 3.642 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3conc3Cc3ccccc3)CC2)cc1 ZINC000552021776 879724253 /nfs/dbraw/zinc/72/42/53/879724253.db2.gz UFASMPODVKUPGX-UHFFFAOYSA-N 1 0 386.499 3.845 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC001183379013 912494567 /nfs/dbraw/zinc/49/45/67/912494567.db2.gz IAMLJWSSSZHZFN-QHCPKHFHSA-N 1 0 398.551 3.717 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1ccccc1CC#N ZINC000776742606 879827310 /nfs/dbraw/zinc/82/73/10/879827310.db2.gz OLMZQGZGWWZHCB-UHFFFAOYSA-N 1 0 389.503 3.625 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)OC(C)C)CC2)ccc1OC ZINC000112711381 880092040 /nfs/dbraw/zinc/09/20/40/880092040.db2.gz PWTYNTDXGOCYTD-UHFFFAOYSA-N 1 0 376.497 3.749 20 30 GHEDRO C[NH+](C)CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CCCC1 ZINC000531563062 880115075 /nfs/dbraw/zinc/11/50/75/880115075.db2.gz LZMJMCVLKCVAHL-UHFFFAOYSA-N 1 0 397.548 3.944 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000790996064 880124916 /nfs/dbraw/zinc/12/49/16/880124916.db2.gz VENHVTBJLVAGBW-UHFFFAOYSA-N 1 0 392.480 3.899 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2C)CC1 ZINC000173272457 880253109 /nfs/dbraw/zinc/25/31/09/880253109.db2.gz VFUDIQYWYVWRTL-UHFFFAOYSA-N 1 0 389.565 3.591 20 30 GHEDRO NC(=NOCc1nc(-c2ccsc2)no1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000112969406 880254143 /nfs/dbraw/zinc/25/41/43/880254143.db2.gz ZKUFFQKVECWMLM-UHFFFAOYSA-N 1 0 397.504 3.621 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)s1 ZINC000855286756 880403844 /nfs/dbraw/zinc/40/38/44/880403844.db2.gz XAFJIXFUKIPCDU-ZDUSSCGKSA-N 1 0 388.002 3.828 20 30 GHEDRO C=CCOc1ccc(Cc2nc(-c3ccccc3OCC[NH+](C)C)no2)cc1 ZINC000453114789 880487577 /nfs/dbraw/zinc/48/75/77/880487577.db2.gz HDGZODJBJZVAQE-UHFFFAOYSA-N 1 0 379.460 3.833 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCSC[C@H]1c1nccs1)C(C)C ZINC000185156621 880492524 /nfs/dbraw/zinc/49/25/24/880492524.db2.gz KQNMIHVFRQKHLL-SJORKVTESA-N 1 0 394.610 3.641 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000113324341 880517328 /nfs/dbraw/zinc/51/73/28/880517328.db2.gz IUKHQKLEZWTRLR-UHFFFAOYSA-N 1 0 388.467 3.902 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000218887979 880526487 /nfs/dbraw/zinc/52/64/87/880526487.db2.gz HKTVSBPFQLCFNS-KGLIPLIRSA-N 1 0 383.330 3.921 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c1C#N ZINC000286124319 912578334 /nfs/dbraw/zinc/57/83/34/912578334.db2.gz MJZVPNHIYFCXCU-YLJYHZDGSA-N 1 0 386.540 3.561 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3c(Br)ccc4ccccc43)C2)C1=O ZINC001275198607 912587865 /nfs/dbraw/zinc/58/78/65/912587865.db2.gz DXWTWBKNZVYXOX-NRFANRHFSA-N 1 0 397.316 3.660 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)C1=O ZINC001275201881 912605105 /nfs/dbraw/zinc/60/51/05/912605105.db2.gz JJRVKWQMVQDVMM-IBGZPJMESA-N 1 0 381.303 3.911 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000453320971 880792401 /nfs/dbraw/zinc/79/24/01/880792401.db2.gz GPKFSILAELRXGH-INIZCTEOSA-N 1 0 394.494 3.971 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000453348631 880820000 /nfs/dbraw/zinc/82/00/00/880820000.db2.gz FVMNDWNWUPWHIR-ZFWWWQNUSA-N 1 0 391.284 3.962 20 30 GHEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000186358105 880865208 /nfs/dbraw/zinc/86/52/08/880865208.db2.gz UTFWELZZNLVGAI-RBUKOAKNSA-N 1 0 377.916 3.770 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453416397 880882521 /nfs/dbraw/zinc/88/25/21/880882521.db2.gz WASCPCWSOHGAOX-QGZVFWFLSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453438349 880898631 /nfs/dbraw/zinc/89/86/31/880898631.db2.gz JSIDCZGGLWVQRN-QGZVFWFLSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCn1c(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1[C@]1(C)CCCO1 ZINC000453439577 880899327 /nfs/dbraw/zinc/89/93/27/880899327.db2.gz LTKQIULKGBFKGL-OFNKIYASSA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186574872 880923545 /nfs/dbraw/zinc/92/35/45/880923545.db2.gz KTGTVRSZBHHQPB-GOSISDBHSA-N 1 0 379.504 3.566 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453425586 880924558 /nfs/dbraw/zinc/92/45/58/880924558.db2.gz NOPGULXKDWHNSI-UHFFFAOYSA-N 1 0 378.524 3.543 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453425439 880924594 /nfs/dbraw/zinc/92/45/94/880924594.db2.gz MQNIUKZYXCXFMP-JBACZVJFSA-N 1 0 395.551 3.977 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000509486974 880930711 /nfs/dbraw/zinc/93/07/11/880930711.db2.gz ODLNAXFBIQYLGJ-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000453460057 880961193 /nfs/dbraw/zinc/96/11/93/880961193.db2.gz DITDKYZWZXLDMW-HXUWFJFHSA-N 1 0 387.572 3.798 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000856169227 881004579 /nfs/dbraw/zinc/00/45/79/881004579.db2.gz FVVCBSQQOJMLSE-JOCHJYFZSA-N 1 0 391.515 3.699 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453449995 881004626 /nfs/dbraw/zinc/00/46/26/881004626.db2.gz GXJBJKMCLIUKQJ-NLWGTHIKSA-N 1 0 395.551 3.696 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000113981231 881022727 /nfs/dbraw/zinc/02/27/27/881022727.db2.gz JYDBMJYNASYYEO-CTNGQTDRSA-N 1 0 386.540 3.677 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(C(=O)N(C)CCCC)CC2)c1O ZINC000919941440 881218684 /nfs/dbraw/zinc/21/86/84/881218684.db2.gz IUMQGAXHPVEPRZ-UHFFFAOYSA-N 1 0 388.552 3.990 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000155142822 881273212 /nfs/dbraw/zinc/27/32/12/881273212.db2.gz ZEWXYYUDJXFMDY-KRWDZBQOSA-N 1 0 380.463 3.793 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000556978607 881308284 /nfs/dbraw/zinc/30/82/84/881308284.db2.gz RQCJBJGGQPKDCQ-WBVHZDCISA-N 1 0 380.423 3.848 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000074130057 881324363 /nfs/dbraw/zinc/32/43/63/881324363.db2.gz DGWFRUOKVOVZQM-MNLRITNHSA-N 1 0 377.573 3.796 20 30 GHEDRO C[C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000120143301 881334228 /nfs/dbraw/zinc/33/42/28/881334228.db2.gz LWSATYNNPZLDAE-OAHLLOKOSA-N 1 0 380.330 3.637 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000609385767 883131109 /nfs/dbraw/zinc/13/11/09/883131109.db2.gz DMUVMGIQQKRRDY-JKSUJKDBSA-N 1 0 388.581 3.536 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(OCC#N)cc3)C2)c1 ZINC000181889516 883190197 /nfs/dbraw/zinc/19/01/97/883190197.db2.gz YCNYFZNSSAFAKK-MSOLQXFVSA-N 1 0 395.503 3.783 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)Cc1ccco1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000609520466 883294192 /nfs/dbraw/zinc/29/41/92/883294192.db2.gz NFRMHTGKEMIXLL-LJQANCHMSA-N 1 0 379.504 3.865 20 30 GHEDRO C[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000476882472 883324254 /nfs/dbraw/zinc/32/42/54/883324254.db2.gz JGFCSHJQXXWCJK-HTAPYJJXSA-N 1 0 376.504 3.829 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000609553601 883364749 /nfs/dbraw/zinc/36/47/49/883364749.db2.gz CMJHSAHYYDKGBP-GOSISDBHSA-N 1 0 379.464 3.740 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC[NH+](C)CC1 ZINC000609583567 883378731 /nfs/dbraw/zinc/37/87/31/883378731.db2.gz PKPOMDBLRIXJCX-OAHLLOKOSA-N 1 0 381.451 3.950 20 30 GHEDRO C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC[NH+](C)CC1 ZINC000609583566 883379352 /nfs/dbraw/zinc/37/93/52/883379352.db2.gz PKPOMDBLRIXJCX-HNNXBMFYSA-N 1 0 381.451 3.950 20 30 GHEDRO Cc1ccc(F)c2[nH]c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc21 ZINC000858860952 883410698 /nfs/dbraw/zinc/41/06/98/883410698.db2.gz VQNUDSHWERRJCF-UHFFFAOYSA-N 1 0 378.451 3.691 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000609638379 883494491 /nfs/dbraw/zinc/49/44/91/883494491.db2.gz WAQHNIOYTUJPPB-IBGZPJMESA-N 1 0 378.476 3.743 20 30 GHEDRO C[C@@H]1CCC[C@H](CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609680185 883538510 /nfs/dbraw/zinc/53/85/10/883538510.db2.gz QXKFSBZJCXHCMO-WOJBJXKFSA-N 1 0 382.552 3.992 20 30 GHEDRO C#CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000805094070 883605492 /nfs/dbraw/zinc/60/54/92/883605492.db2.gz HUUKILMWXRYMBP-ZNBHLAFESA-N 1 0 394.968 3.587 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000805176472 883656183 /nfs/dbraw/zinc/65/61/83/883656183.db2.gz JQXPXPQTDNDUJT-ZTCOLXNVSA-N 1 0 389.543 3.973 20 30 GHEDRO Cc1sc(NC(=O)CN2CC[C@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533929585 883825043 /nfs/dbraw/zinc/82/50/43/883825043.db2.gz GJBQAMJJDCYTLC-INIZCTEOSA-N 1 0 389.908 3.982 20 30 GHEDRO N#CCCN(C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(Cl)c1 ZINC000551412433 883828678 /nfs/dbraw/zinc/82/86/78/883828678.db2.gz XCUMWTSBISMVLS-UHFFFAOYSA-N 1 0 378.863 3.737 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465437124 883869746 /nfs/dbraw/zinc/86/97/46/883869746.db2.gz WDQOHMHAHDZUFM-ZRBLBEILSA-N 1 0 388.515 3.742 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001275234509 912773524 /nfs/dbraw/zinc/77/35/24/912773524.db2.gz OWGHLCNOUIJXCY-LJQANCHMSA-N 1 0 381.854 3.681 20 30 GHEDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000897602622 884055543 /nfs/dbraw/zinc/05/55/43/884055543.db2.gz SLWPCTZLKNZBCY-UHFFFAOYSA-N 1 0 379.504 3.694 20 30 GHEDRO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000859805609 884079758 /nfs/dbraw/zinc/07/97/58/884079758.db2.gz VVJLLEWIFUONGC-IBGZPJMESA-N 1 0 390.462 3.827 20 30 GHEDRO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000859805610 884079901 /nfs/dbraw/zinc/07/99/01/884079901.db2.gz VVJLLEWIFUONGC-LJQANCHMSA-N 1 0 390.462 3.827 20 30 GHEDRO C[NH+]1CCC(CNC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC000760481847 884131222 /nfs/dbraw/zinc/13/12/22/884131222.db2.gz GAUJZFSNNICLQW-UHFFFAOYSA-N 1 0 394.544 3.765 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OCC)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000494929073 884229224 /nfs/dbraw/zinc/22/92/24/884229224.db2.gz GURVPBLLYPMBDY-INIZCTEOSA-N 1 0 381.455 3.949 20 30 GHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000476227763 884281880 /nfs/dbraw/zinc/28/18/80/884281880.db2.gz VESHLZDTXFRWOX-QGZVFWFLSA-N 1 0 381.476 3.725 20 30 GHEDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]2CCCO[C@@H]21 ZINC000556295802 884393717 /nfs/dbraw/zinc/39/37/17/884393717.db2.gz LSJQCEANOQNIJV-KYNGSXCRSA-N 1 0 387.549 3.620 20 30 GHEDRO C=CCC[C@@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000495038672 884419019 /nfs/dbraw/zinc/41/90/19/884419019.db2.gz WUEIFTOEDAIEQM-XMMPIXPASA-N 1 0 391.559 3.800 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC001275249109 912834434 /nfs/dbraw/zinc/83/44/34/912834434.db2.gz XVXCDFROXWVBDN-HXUWFJFHSA-N 1 0 375.900 3.554 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000495126421 884604729 /nfs/dbraw/zinc/60/47/29/884604729.db2.gz HCSXBAISEGCPPR-DOTOQJQBSA-N 1 0 395.341 3.549 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(NC(C)=O)ccc1F)C(C)C ZINC000044076898 884761824 /nfs/dbraw/zinc/76/18/24/884761824.db2.gz KVXHZOKHYXHXSX-IBGZPJMESA-N 1 0 376.476 3.604 20 30 GHEDRO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495203862 884803209 /nfs/dbraw/zinc/80/32/09/884803209.db2.gz SUXZJZVAQPENLK-YCRPNKLZSA-N 1 0 389.565 3.700 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3cc(F)c(Cl)cc3F)CC2)C1=O ZINC001275260792 912879559 /nfs/dbraw/zinc/87/95/59/912879559.db2.gz TYDSMSNPORMULQ-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000106035486 884936618 /nfs/dbraw/zinc/93/66/18/884936618.db2.gz UETGMKSLKITMNX-UHFFFAOYSA-N 1 0 376.298 3.701 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000537525419 884989887 /nfs/dbraw/zinc/98/98/87/884989887.db2.gz YSYWPLQXOYNTFL-VQIMIIECSA-N 1 0 387.549 3.768 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000806808703 885008913 /nfs/dbraw/zinc/00/89/13/885008913.db2.gz LJOIXVVQUYDRPN-ZNLUXHQJSA-N 1 0 394.519 3.858 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103475096 885022505 /nfs/dbraw/zinc/02/25/05/885022505.db2.gz QFAYMQIZNQCMDY-KRWDZBQOSA-N 1 0 387.487 3.840 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807083705 885206343 /nfs/dbraw/zinc/20/63/43/885206343.db2.gz GGVDTTDOKNNDOX-OFNKIYASSA-N 1 0 375.516 3.742 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001130895342 885337423 /nfs/dbraw/zinc/33/74/23/885337423.db2.gz MXPUVVPIBLRYKS-HXUWFJFHSA-N 1 0 377.488 3.740 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807466762 885461986 /nfs/dbraw/zinc/46/19/86/885461986.db2.gz FICBKWMRAKRYLM-XZOQPEGZSA-N 1 0 375.516 3.537 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000807470291 885465688 /nfs/dbraw/zinc/46/56/88/885465688.db2.gz QCSGVEZQQMZFLC-QPPBQGQZSA-N 1 0 389.543 3.927 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000460409074 885522985 /nfs/dbraw/zinc/52/29/85/885522985.db2.gz UUIQWVHFGWLJDJ-UHFFFAOYSA-N 1 0 398.551 3.513 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000915045343 885536702 /nfs/dbraw/zinc/53/67/02/885536702.db2.gz BDVYBJUPKRVMEG-NRFANRHFSA-N 1 0 394.515 3.827 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)nc1 ZINC000861730177 885798638 /nfs/dbraw/zinc/79/86/38/885798638.db2.gz NBSVXEIFPHURII-XZOQPEGZSA-N 1 0 388.515 3.508 20 30 GHEDRO CC(C)CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1 ZINC000532496529 885871969 /nfs/dbraw/zinc/87/19/69/885871969.db2.gz YSBUUVKAPCJPCX-UHFFFAOYSA-N 1 0 379.508 3.973 20 30 GHEDRO Cn1cc(C[NH2+]CCc2ccc(OC(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000537594522 885911900 /nfs/dbraw/zinc/91/19/00/885911900.db2.gz LSZRDJWTPNJKAI-UHFFFAOYSA-N 1 0 382.414 3.892 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cnn(-c3ccccc3)c2)c(-c2ccccc2)n1 ZINC000113319217 886290249 /nfs/dbraw/zinc/29/02/49/886290249.db2.gz KVIYIVATSAHCPQ-UHFFFAOYSA-N 1 0 382.471 3.939 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H]1[NH+](C)C ZINC000495711184 886500411 /nfs/dbraw/zinc/50/04/11/886500411.db2.gz DCAKUKOVPQBHSU-ICSRJNTNSA-N 1 0 399.491 3.607 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000556920122 886734917 /nfs/dbraw/zinc/73/49/17/886734917.db2.gz DZXJEGVJDXNLNL-IBGZPJMESA-N 1 0 399.470 3.941 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000808794615 886789536 /nfs/dbraw/zinc/78/95/36/886789536.db2.gz LRGKQGHWXXKQRW-OAQYLSRUSA-N 1 0 388.870 3.809 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)Cc1cccc(C#N)c1 ZINC000808827523 886830942 /nfs/dbraw/zinc/83/09/42/886830942.db2.gz RBYZKBLGAYWGAX-UHFFFAOYSA-N 1 0 393.487 3.547 20 30 GHEDRO FC(F)(F)c1cc(Br)ccc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000794523055 887064435 /nfs/dbraw/zinc/06/44/35/887064435.db2.gz CHQCPKZRPSAELZ-STQMWFEESA-N 1 0 389.219 3.662 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487992032 887198618 /nfs/dbraw/zinc/19/86/18/887198618.db2.gz KMZPJCHHGDOBHF-HNNXBMFYSA-N 1 0 379.302 3.659 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](O)c1ccccc1 ZINC000794603373 887666659 /nfs/dbraw/zinc/66/66/59/887666659.db2.gz LGULCQFGMGFFCN-GKCIPKSASA-N 1 0 397.544 3.783 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1)C(C)C ZINC000809685543 887702810 /nfs/dbraw/zinc/70/28/10/887702810.db2.gz ZMOVFXYUYXHZQZ-FQEVSTJZSA-N 1 0 380.488 3.850 20 30 GHEDRO FC(F)Oc1ccccc1C=NOC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000809991160 888046396 /nfs/dbraw/zinc/04/63/96/888046396.db2.gz YDMLJKHPRRAWPU-LJQANCHMSA-N 1 0 390.430 3.930 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1F ZINC001184408825 913207705 /nfs/dbraw/zinc/20/77/05/913207705.db2.gz WWNITLDSUXFKMI-SFHVURJKSA-N 1 0 385.870 3.879 20 30 GHEDRO Cc1c(C#N)ccnc1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170596427 888126287 /nfs/dbraw/zinc/12/62/87/888126287.db2.gz VKELWLZTEWXZQI-HSZRJFAPSA-N 1 0 386.499 3.737 20 30 GHEDRO CC(C)CCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000194339356 888226475 /nfs/dbraw/zinc/22/64/75/888226475.db2.gz ZOVJQTJRIKVBLJ-UHFFFAOYSA-N 1 0 389.565 3.964 20 30 GHEDRO C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[N@H+](C)C1CC1 ZINC000105264320 888270356 /nfs/dbraw/zinc/27/03/56/888270356.db2.gz KKFCTJLCCJEHLX-QGZVFWFLSA-N 1 0 394.494 3.892 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC001127399358 888299209 /nfs/dbraw/zinc/29/92/09/888299209.db2.gz PMTHWPNUZSPPAW-CZTZKLFOSA-N 1 0 377.463 3.728 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000865405487 888324678 /nfs/dbraw/zinc/32/46/78/888324678.db2.gz JEIVLMYGSCAZRJ-UHFFFAOYSA-N 1 0 379.529 3.817 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000865458883 888363970 /nfs/dbraw/zinc/36/39/70/888363970.db2.gz VENNOARAPQVUMZ-UHFFFAOYSA-N 1 0 379.504 3.610 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000810300332 888366048 /nfs/dbraw/zinc/36/60/48/888366048.db2.gz REYGDJZVFGWKEH-UHFFFAOYSA-N 1 0 389.499 3.664 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000763232105 888377039 /nfs/dbraw/zinc/37/70/39/888377039.db2.gz QKZHUYLMBXWIBV-WOJBJXKFSA-N 1 0 387.886 3.811 20 30 GHEDRO COc1cc(CCC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000763235920 888378539 /nfs/dbraw/zinc/37/85/39/888378539.db2.gz YRVXXMPINHSVNN-XMMPIXPASA-N 1 0 394.515 3.954 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000120595316 888381495 /nfs/dbraw/zinc/38/14/95/888381495.db2.gz UCEIPGCRGUJADJ-UHFFFAOYSA-N 1 0 376.500 3.731 20 30 GHEDRO CN(c1cc(C(F)(F)F)cc(C#N)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000865488954 888381717 /nfs/dbraw/zinc/38/17/17/888381717.db2.gz ZENLDDAUOWDPIG-UHFFFAOYSA-N 1 0 389.425 3.510 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000865544827 888429491 /nfs/dbraw/zinc/42/94/91/888429491.db2.gz HBENYSZLOVKNIK-SNVBAGLBSA-N 1 0 394.426 3.517 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475930873 888721036 /nfs/dbraw/zinc/72/10/36/888721036.db2.gz AQFUJEPBCLRFBC-DHIUTWEWSA-N 1 0 390.531 3.982 20 30 GHEDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)NCc3ccc(C#N)cc3)oc21 ZINC000542587824 888838502 /nfs/dbraw/zinc/83/85/02/888838502.db2.gz YMFFFEUBCJEWON-HNNXBMFYSA-N 1 0 377.444 3.670 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000532747247 888841581 /nfs/dbraw/zinc/84/15/81/888841581.db2.gz RFUCWUFHUUFILX-PCCBWWKXSA-N 1 0 383.536 3.687 20 30 GHEDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000866385141 888851738 /nfs/dbraw/zinc/85/17/38/888851738.db2.gz RXWCFTGPGHZBFS-INIZCTEOSA-N 1 0 396.466 3.791 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)O[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000810850512 888909216 /nfs/dbraw/zinc/90/92/16/888909216.db2.gz MHLRQNBHHCEGBM-IFMALSPDSA-N 1 0 376.456 3.921 20 30 GHEDRO C=CCOc1ccc(CNc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)cc1 ZINC000532889986 889222434 /nfs/dbraw/zinc/22/24/34/889222434.db2.gz IPJCGAFGRKKKJM-UHFFFAOYSA-N 1 0 392.503 3.615 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1O2 ZINC000027345344 889227047 /nfs/dbraw/zinc/22/70/47/889227047.db2.gz DQWLNVNOSIASFP-IBGZPJMESA-N 1 0 376.460 3.668 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C(C)C)C2CC2)cc1 ZINC000532929704 889303855 /nfs/dbraw/zinc/30/38/55/889303855.db2.gz PSTAKNFHQLBIIK-UHFFFAOYSA-N 1 0 380.492 3.786 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C(F)(F)F)c1 ZINC000868167544 889330339 /nfs/dbraw/zinc/33/03/39/889330339.db2.gz RUOPRPLAJQRBMF-KRWDZBQOSA-N 1 0 392.356 3.768 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)CC2)c(F)c1 ZINC000868175781 889334872 /nfs/dbraw/zinc/33/48/72/889334872.db2.gz BDBHTWOYLQTDEN-AZUAARDMSA-N 1 0 394.450 3.587 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C(F)(F)F)c1 ZINC000868210064 889354333 /nfs/dbraw/zinc/35/43/33/889354333.db2.gz MTTXHGHXSNCSAK-QZTJIDSGSA-N 1 0 394.441 3.583 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000532970767 889409001 /nfs/dbraw/zinc/40/90/01/889409001.db2.gz YDOOUDFWLWSAMM-IPELMVKDSA-N 1 0 375.900 3.676 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1C#N ZINC000124416378 889624816 /nfs/dbraw/zinc/62/48/16/889624816.db2.gz YDKJNYPIYZXLLA-HNNXBMFYSA-N 1 0 386.565 3.650 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc(C)c2)n1 ZINC000811721849 889920932 /nfs/dbraw/zinc/92/09/32/889920932.db2.gz ALGCSPWWTDEORN-UHFFFAOYSA-O 1 0 396.467 3.876 20 30 GHEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000125462553 890005530 /nfs/dbraw/zinc/00/55/30/890005530.db2.gz DKPYHOWKOQWCAH-MRXNPFEDSA-N 1 0 385.895 3.855 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000811912633 890078371 /nfs/dbraw/zinc/07/83/71/890078371.db2.gz GOSYAJZGERCKDH-RXVVDRJESA-N 1 0 381.907 3.836 20 30 GHEDRO N#Cc1ccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1F ZINC000454998417 890110442 /nfs/dbraw/zinc/11/04/42/890110442.db2.gz WCMOQMWCJJTIGQ-UHFFFAOYSA-N 1 0 396.466 3.884 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000795099944 890244623 /nfs/dbraw/zinc/24/46/23/890244623.db2.gz NDSBEWGJUSRFSL-AZUAARDMSA-N 1 0 385.508 3.658 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870186531 890253218 /nfs/dbraw/zinc/25/32/18/890253218.db2.gz XFWSWODYWXDSGK-IBGZPJMESA-N 1 0 387.527 3.743 20 30 GHEDRO CC(C)OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000533338808 890322804 /nfs/dbraw/zinc/32/28/04/890322804.db2.gz XESJZBXEIIUAOJ-UHFFFAOYSA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3cccc(CC#N)n3)c3nccc2-3)cc1 ZINC001170666635 890427229 /nfs/dbraw/zinc/42/72/29/890427229.db2.gz YTISXTYWWZWIQA-OAHLLOKOSA-N 1 0 396.454 3.710 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000533422192 890521249 /nfs/dbraw/zinc/52/12/49/890521249.db2.gz JKSLJIYEIQNLNR-UHFFFAOYSA-N 1 0 377.532 3.856 20 30 GHEDRO COc1ccc(CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC(C)C)cc1OC ZINC000533437072 890561120 /nfs/dbraw/zinc/56/11/20/890561120.db2.gz VKIRUZLACSEMPI-UHFFFAOYSA-N 1 0 395.503 3.715 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1C ZINC000533447604 890564345 /nfs/dbraw/zinc/56/43/45/890564345.db2.gz RWMOWHWWNMCADU-SQNIBIBYSA-N 1 0 388.581 3.681 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000533458412 890586715 /nfs/dbraw/zinc/58/67/15/890586715.db2.gz BZBCPSKQIJYDMW-CEMLEFRQSA-N 1 0 382.552 3.836 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170678324 890699579 /nfs/dbraw/zinc/69/95/79/890699579.db2.gz XCKCRNRXOGOGPF-NRFANRHFSA-N 1 0 381.470 3.948 20 30 GHEDRO C=C(C)CCNC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000455321262 890781634 /nfs/dbraw/zinc/78/16/34/890781634.db2.gz ISLWQRKAUMEAEQ-UHFFFAOYSA-N 1 0 390.959 3.602 20 30 GHEDRO C[C@H](CNc1nc(C(C)(C)C)ccc1C#N)[NH+]1CCN(c2ccccc2)CC1 ZINC001184857167 913494065 /nfs/dbraw/zinc/49/40/65/913494065.db2.gz ZWUBBTWMNPAFNR-GOSISDBHSA-N 1 0 377.536 3.873 20 30 GHEDRO CC[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000127204647 890950913 /nfs/dbraw/zinc/95/09/13/890950913.db2.gz BDAOMULENNHRIN-CYBMUJFWSA-N 1 0 390.578 3.683 20 30 GHEDRO COc1ccccc1-c1nc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)co1 ZINC000871723434 890990977 /nfs/dbraw/zinc/99/09/77/890990977.db2.gz MVOXLEVHFPYTSP-UHFFFAOYSA-N 1 0 393.443 3.738 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)Nc2cc(CC#N)ccn2)C[N@@H+]1Cc1ccccc1 ZINC000871725515 890992589 /nfs/dbraw/zinc/99/25/89/890992589.db2.gz BYUNEYMHGLFFRU-FXAWDEMLSA-N 1 0 377.492 3.570 20 30 GHEDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000897522030 891006063 /nfs/dbraw/zinc/00/60/63/891006063.db2.gz KRMOSMUWSQGCGA-IBGZPJMESA-N 1 0 383.458 3.596 20 30 GHEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833843 891020591 /nfs/dbraw/zinc/02/05/91/891020591.db2.gz AKTQWFPVBRDUQG-KRWDZBQOSA-N 1 0 393.915 3.977 20 30 GHEDRO C#CCCCCC[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000871829851 891028884 /nfs/dbraw/zinc/02/88/84/891028884.db2.gz RJDAGNSOUWNJRV-QFIPXVFZSA-N 1 0 385.529 3.971 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872033182 891127148 /nfs/dbraw/zinc/12/71/48/891127148.db2.gz GHAHQQOJLCQKGQ-VQIMIIECSA-N 1 0 379.342 3.767 20 30 GHEDRO C=CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccncc1 ZINC000888291352 891152412 /nfs/dbraw/zinc/15/24/12/891152412.db2.gz QZIRFQAGUYDKHE-ZRBLBEILSA-N 1 0 390.531 3.862 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000067649222 891605185 /nfs/dbraw/zinc/60/51/85/891605185.db2.gz NXMYKOOSOSHINN-NRFANRHFSA-N 1 0 396.579 3.828 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000497553894 891884717 /nfs/dbraw/zinc/88/47/17/891884717.db2.gz UYAUGOSVWBCBBK-LJQANCHMSA-N 1 0 377.577 3.918 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497592838 891948770 /nfs/dbraw/zinc/94/87/70/891948770.db2.gz TURXCMSUUQCEFR-DOTOQJQBSA-N 1 0 396.457 3.937 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128568464 892136239 /nfs/dbraw/zinc/13/62/39/892136239.db2.gz LXDRKXSMQHCBNF-SFTDATJTSA-N 1 0 379.508 3.520 20 30 GHEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000874839070 892346250 /nfs/dbraw/zinc/34/62/50/892346250.db2.gz TUSYDRSABWUOAI-YADHBBJMSA-N 1 0 375.472 3.854 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000875021763 892410957 /nfs/dbraw/zinc/41/09/57/892410957.db2.gz QGPHTIXCOQOQGA-UHFFFAOYSA-N 1 0 376.504 3.538 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3nccnc3c1)CC2 ZINC001137084339 892428119 /nfs/dbraw/zinc/42/81/19/892428119.db2.gz IIGOUZJGUPAXGD-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814260848 892441675 /nfs/dbraw/zinc/44/16/75/892441675.db2.gz FFYKTQWZQXDJQJ-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(N(C)C)cc1 ZINC000154499322 892449874 /nfs/dbraw/zinc/44/98/74/892449874.db2.gz XNNHJBGRMVLXTG-ZDUSSCGKSA-O 1 0 376.571 3.737 20 30 GHEDRO C#CCN(C(=O)Cc1cccc(OCc2ccccc2C)c1)C1CC[NH+](C)CC1 ZINC001134266081 892543716 /nfs/dbraw/zinc/54/37/16/892543716.db2.gz NACWILWURFQHAF-UHFFFAOYSA-N 1 0 390.527 3.673 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC001170744862 892629752 /nfs/dbraw/zinc/62/97/52/892629752.db2.gz MXPUEHZERNYFHV-NRFANRHFSA-N 1 0 384.568 3.910 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c([N+](=O)[O-])c1 ZINC000875478559 892637772 /nfs/dbraw/zinc/63/77/72/892637772.db2.gz JILQVRQJPRECNK-OAHLLOKOSA-N 1 0 384.823 3.580 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000068883370 892887547 /nfs/dbraw/zinc/88/75/47/892887547.db2.gz DUMUAVKEGFTHTK-LJQANCHMSA-N 1 0 398.463 3.723 20 30 GHEDRO C#CCC1([NH2+]Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCCC1 ZINC000933267504 892983803 /nfs/dbraw/zinc/98/38/03/892983803.db2.gz HYQYKGKYCFEOQA-UHFFFAOYSA-N 1 0 385.464 3.578 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508738463 893042992 /nfs/dbraw/zinc/04/29/92/893042992.db2.gz GCNLKWGUKYUQTE-QGZVFWFLSA-N 1 0 378.524 3.781 20 30 GHEDRO C#Cc1ccc(C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)nc1 ZINC001134576038 893098351 /nfs/dbraw/zinc/09/83/51/893098351.db2.gz FXKYGEXWCSZBNN-JYFHCDHNSA-N 1 0 395.506 3.851 20 30 GHEDRO C[C@H]1C[N@H+](CCCC(C)(C)C#N)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000933854249 893259404 /nfs/dbraw/zinc/25/94/04/893259404.db2.gz DEWURXILGGGTQK-KRWDZBQOSA-N 1 0 379.545 3.807 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)cc1OC ZINC000933862442 893266365 /nfs/dbraw/zinc/26/63/65/893266365.db2.gz ZIIGNEJBRHHAEB-HXUWFJFHSA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@@H]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455795936 893343746 /nfs/dbraw/zinc/34/37/46/893343746.db2.gz UPGJQOATPIWYLH-OAHLLOKOSA-N 1 0 383.883 3.735 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)CC1 ZINC000645212464 913758128 /nfs/dbraw/zinc/75/81/28/913758128.db2.gz KYPUYSFXQRCNIN-SFHVURJKSA-N 1 0 395.906 3.603 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc2ccc3scnc3c2s1 ZINC000934020316 893355255 /nfs/dbraw/zinc/35/52/55/893355255.db2.gz AJNKIJAYAKMYJO-UHFFFAOYSA-N 1 0 388.522 3.605 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000876902004 893379927 /nfs/dbraw/zinc/37/99/27/893379927.db2.gz JWYXKEBOVKCXIL-DOTOQJQBSA-N 1 0 394.947 3.758 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000876994270 893424073 /nfs/dbraw/zinc/42/40/73/893424073.db2.gz FQBLWWXIUYVTEC-UKRRQHHQSA-N 1 0 378.904 3.732 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876999701 893428335 /nfs/dbraw/zinc/42/83/35/893428335.db2.gz VYZWABNLEUKGFH-MRXNPFEDSA-N 1 0 393.478 3.945 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000563218643 893490966 /nfs/dbraw/zinc/49/09/66/893490966.db2.gz WELTXKLLTWNIGA-UHFFFAOYSA-N 1 0 375.432 3.962 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000877119632 893494899 /nfs/dbraw/zinc/49/48/99/893494899.db2.gz JKRAVKUDDJZPLC-RTBURBONSA-N 1 0 380.883 3.664 20 30 GHEDRO C=CC[N@@H+](C/C=C/c1ccccc1OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536676352 893515247 /nfs/dbraw/zinc/51/52/47/893515247.db2.gz MZWKYZZQWXPHRY-VEGGFIAOSA-N 1 0 375.476 3.933 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1ccc(OCC#N)cc1)CC2 ZINC001137116722 893520657 /nfs/dbraw/zinc/52/06/57/893520657.db2.gz OEDXQRKVGQGXSQ-UHFFFAOYSA-N 1 0 394.519 3.824 20 30 GHEDRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137118241 893556024 /nfs/dbraw/zinc/55/60/24/893556024.db2.gz REZTXPPKGXFSPU-CTNGQTDRSA-N 1 0 384.483 3.761 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000815202373 893595747 /nfs/dbraw/zinc/59/57/47/893595747.db2.gz XUGMYRZXHNLXRQ-PCCBWWKXSA-N 1 0 399.535 3.703 20 30 GHEDRO CC(C)(C)Oc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000498221804 893634470 /nfs/dbraw/zinc/63/44/70/893634470.db2.gz LNTWEZFNAOZTPF-UHFFFAOYSA-N 1 0 392.503 3.547 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)C[C@H](C)O1 ZINC000192520027 893701313 /nfs/dbraw/zinc/70/13/13/893701313.db2.gz KKDOOOOETSULAA-GASCZTMLSA-N 1 0 395.528 3.970 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2ccc(OCC#N)cc2)C2CC2)C1 ZINC001137122741 893701685 /nfs/dbraw/zinc/70/16/85/893701685.db2.gz QAFVMNUWBIUWRJ-IBGZPJMESA-N 1 0 385.508 3.953 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000877588764 893705129 /nfs/dbraw/zinc/70/51/29/893705129.db2.gz XXYBWNFHJZLVMY-QRQLOZEOSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000877654555 893745052 /nfs/dbraw/zinc/74/50/52/893745052.db2.gz QJLBSNYPDBOJAK-RBSFLKMASA-N 1 0 377.451 3.951 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC000877809644 893818939 /nfs/dbraw/zinc/81/89/39/893818939.db2.gz FNLHCXHMNBYIFE-OAHLLOKOSA-N 1 0 391.537 3.516 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000563501920 893834119 /nfs/dbraw/zinc/83/41/19/893834119.db2.gz RUVOSKBVWYCGRD-QUCCMNQESA-N 1 0 378.451 3.775 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653855 893989205 /nfs/dbraw/zinc/98/92/05/893989205.db2.gz DPSVPWGJUPBPTR-SFHVURJKSA-N 1 0 398.425 3.627 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000878085371 894003488 /nfs/dbraw/zinc/00/34/88/894003488.db2.gz KSGWVKUSORRIPN-QHCPKHFHSA-N 1 0 399.535 3.758 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000459662252 894017671 /nfs/dbraw/zinc/01/76/71/894017671.db2.gz SZVPFRHHASSGID-CYBMUJFWSA-N 1 0 382.302 3.572 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC[C@@H]21 ZINC000878432404 894285098 /nfs/dbraw/zinc/28/50/98/894285098.db2.gz DHNDZCJYFBFWMY-PXNSSMCTSA-N 1 0 376.460 3.908 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1)c1ccccc1 ZINC000878677168 894505679 /nfs/dbraw/zinc/50/56/79/894505679.db2.gz JGRFVWAOPYRMSB-HSZRJFAPSA-N 1 0 391.519 3.779 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)CC(C)(C)O)c1 ZINC000537218475 894583736 /nfs/dbraw/zinc/58/37/36/894583736.db2.gz CRADARQYQPXPJI-UHFFFAOYSA-N 1 0 393.531 3.823 20 30 GHEDRO C#CCCCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000878778523 894601844 /nfs/dbraw/zinc/60/18/44/894601844.db2.gz MDOBJVJGOJNBSY-UHFFFAOYSA-N 1 0 386.540 3.688 20 30 GHEDRO CCN(CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1C ZINC000537297606 894725229 /nfs/dbraw/zinc/72/52/29/894725229.db2.gz YGAJKRLKGIFPMZ-UHFFFAOYSA-N 1 0 376.548 3.947 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000537320258 894768310 /nfs/dbraw/zinc/76/83/10/894768310.db2.gz FAUXQZCOUMMSEZ-HFCFLWKCSA-N 1 0 379.426 3.533 20 30 GHEDRO N#Cc1cc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1Cl ZINC000564299134 894836909 /nfs/dbraw/zinc/83/69/09/894836909.db2.gz ZCGIFKBNPKPESR-UHFFFAOYSA-N 1 0 389.908 3.651 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)C2)c1 ZINC000537407417 894926613 /nfs/dbraw/zinc/92/66/13/894926613.db2.gz KKSVGWNMWQRXCN-HZPDHXFCSA-N 1 0 383.467 3.892 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)ccc1C#N ZINC000816621641 894980303 /nfs/dbraw/zinc/98/03/03/894980303.db2.gz MNWHKJKQPUJRAF-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1nc2c(s1)CCCC2)C(C)C ZINC000476060673 895073654 /nfs/dbraw/zinc/07/36/54/895073654.db2.gz FTWRDWWVXOAJQQ-GOSISDBHSA-N 1 0 390.597 3.862 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cc(C(C)(C)C)n[nH]1 ZINC000564791602 895251604 /nfs/dbraw/zinc/25/16/04/895251604.db2.gz DGTPADWWWWIOLH-UHFFFAOYSA-N 1 0 385.537 3.590 20 30 GHEDRO Cc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000817020813 895264217 /nfs/dbraw/zinc/26/42/17/895264217.db2.gz IYQLJYDPIBRARN-KRWDZBQOSA-N 1 0 390.531 3.912 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000565044648 895365567 /nfs/dbraw/zinc/36/55/67/895365567.db2.gz RQIAEBGHIXOPGJ-FUHWJXTLSA-N 1 0 375.787 3.879 20 30 GHEDRO C[C@@H]1C[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294888 895468729 /nfs/dbraw/zinc/46/87/29/895468729.db2.gz ZECVIENDEIGERD-GUDVDZBRSA-N 1 0 393.572 3.958 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000565521324 895698263 /nfs/dbraw/zinc/69/82/63/895698263.db2.gz NPFBEUHWUFIOHC-WUJZJPHMSA-N 1 0 379.426 3.868 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@H](c2nc(Br)cs2)C2CC2)cc1 ZINC000817581105 895751773 /nfs/dbraw/zinc/75/17/73/895751773.db2.gz NHLPAVDOEXMJKO-HNNXBMFYSA-N 1 0 378.295 3.897 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(C#N)c(F)cc2F)C1 ZINC000880715938 895827993 /nfs/dbraw/zinc/82/79/93/895827993.db2.gz JCPWLGDXHMBAJB-GJZGRUSLSA-N 1 0 376.451 3.955 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3Cc4cccc(O)c4C3)sc2C1 ZINC000565937886 895994704 /nfs/dbraw/zinc/99/47/04/895994704.db2.gz NSYTYGQRLOTSQY-DZGCQCFKSA-N 1 0 395.528 3.536 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000880925672 896002346 /nfs/dbraw/zinc/00/23/46/896002346.db2.gz GVCIAHAANPTDNQ-GOEBONIOSA-N 1 0 382.430 3.581 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880932791 896010840 /nfs/dbraw/zinc/01/08/40/896010840.db2.gz RNXLZUMBLANYCK-GOSISDBHSA-N 1 0 396.457 3.923 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ncsc3C3CC3)CC2)c1 ZINC000881027823 896076950 /nfs/dbraw/zinc/07/69/50/896076950.db2.gz QOOMHPPWZPONGN-UHFFFAOYSA-N 1 0 381.505 3.678 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(CC#N)n1)[NH+]1CCCCC1 ZINC000881155127 896204007 /nfs/dbraw/zinc/20/40/07/896204007.db2.gz NJRYNXMXWYNUEG-LJQANCHMSA-N 1 0 393.491 3.505 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000881156505 896204968 /nfs/dbraw/zinc/20/49/68/896204968.db2.gz XWIUXCFJWGESKI-UHFFFAOYSA-N 1 0 383.883 3.541 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC001136150256 896205167 /nfs/dbraw/zinc/20/51/67/896205167.db2.gz NEXLDYGAHRPGLY-IRXDYDNUSA-N 1 0 395.569 3.717 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCc3cccc(-n4ccnc4)c3)c2c1 ZINC000566393831 896285870 /nfs/dbraw/zinc/28/58/70/896285870.db2.gz LQSSTELJFVKIEH-UHFFFAOYSA-N 1 0 385.427 3.921 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CCOCC1 ZINC000819236910 896480446 /nfs/dbraw/zinc/48/04/46/896480446.db2.gz PYQWKZACGGNWJL-UHFFFAOYSA-N 1 0 389.515 3.668 20 30 GHEDRO CC[C@@H](CNC(=O)Cc1c(C)cc(C#N)cc1C)[N@@H+]1CCc2ccccc2C1 ZINC001136200808 896513493 /nfs/dbraw/zinc/51/34/93/896513493.db2.gz LHVXKLPDNPZFMI-QFIPXVFZSA-N 1 0 375.516 3.671 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)C[NH+](CC)CC)s1 ZINC000819280380 896565277 /nfs/dbraw/zinc/56/52/77/896565277.db2.gz DBPVEMREBKZGSG-LBPRGKRZSA-N 1 0 375.991 3.685 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000819376777 896651645 /nfs/dbraw/zinc/65/16/45/896651645.db2.gz FZAYUPFTYXQLKF-NHCUHLMSSA-N 1 0 399.535 3.533 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3cc(N4CCCC[C@H]4C)ccc32)CC1 ZINC000819469657 896785229 /nfs/dbraw/zinc/78/52/29/896785229.db2.gz SNRHEOOGYOVWEM-LJQANCHMSA-N 1 0 379.548 3.690 20 30 GHEDRO CCCc1c(NC(=O)NCC2CC[NH+](CC)CC2)cnn1-c1cccc(C#N)c1 ZINC000567110888 896883353 /nfs/dbraw/zinc/88/33/53/896883353.db2.gz QCYYSTHMYDITIQ-UHFFFAOYSA-N 1 0 394.523 3.550 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727216 896937433 /nfs/dbraw/zinc/93/74/33/896937433.db2.gz PCIVESXLOIAJHO-KRWDZBQOSA-N 1 0 384.911 3.806 20 30 GHEDRO CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000130042492 896965982 /nfs/dbraw/zinc/96/59/82/896965982.db2.gz QUOMOOSPRXVABF-SIKLNZKXSA-N 1 0 391.515 3.815 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000778579266 896990516 /nfs/dbraw/zinc/99/05/16/896990516.db2.gz APZJMCBNWGVTHA-NVXWUHKLSA-N 1 0 390.524 3.864 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000567448046 897164412 /nfs/dbraw/zinc/16/44/12/897164412.db2.gz UKVVOAFMGHLKLL-PBASOCQRSA-N 1 0 377.550 3.651 20 30 GHEDRO C#C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000820496660 897341267 /nfs/dbraw/zinc/34/12/67/897341267.db2.gz XZTPSOJHPRHNPG-JOCHJYFZSA-N 1 0 379.479 3.806 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NCc2ccon2)cc1 ZINC000131182606 897349885 /nfs/dbraw/zinc/34/98/85/897349885.db2.gz XEIMQANBLIHYQH-UHFFFAOYSA-O 1 0 380.493 3.616 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000883219536 897381406 /nfs/dbraw/zinc/38/14/06/897381406.db2.gz VDQPNEQIWPMXKF-JKSUJKDBSA-N 1 0 391.455 3.712 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3nc4cc(Cl)ccn4c3C#N)CC2)cc1 ZINC000567772099 897388602 /nfs/dbraw/zinc/38/86/02/897388602.db2.gz VQEKFHYRTOSNFH-UHFFFAOYSA-N 1 0 395.894 3.580 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccc(Cl)cc1F ZINC000820745179 897532586 /nfs/dbraw/zinc/53/25/86/897532586.db2.gz RJTMDZCRSLFNIQ-IBGZPJMESA-N 1 0 379.907 3.917 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000042643897 897685599 /nfs/dbraw/zinc/68/55/99/897685599.db2.gz OHWVNIQWHBNXJG-JOCHJYFZSA-N 1 0 377.488 3.951 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC001170958088 897707188 /nfs/dbraw/zinc/70/71/88/897707188.db2.gz IYOHXZIOBRLJGC-HZPDHXFCSA-N 1 0 380.554 3.561 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000289526371 914225673 /nfs/dbraw/zinc/22/56/73/914225673.db2.gz HIGBFWAGNRDYAB-IBGZPJMESA-N 1 0 392.425 3.743 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000106035798 898247369 /nfs/dbraw/zinc/24/73/69/898247369.db2.gz RYODGJPDPNTRRP-UHFFFAOYSA-N 1 0 379.460 3.501 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)c(OC)c1 ZINC000568992208 898261041 /nfs/dbraw/zinc/26/10/41/898261041.db2.gz ZXXMTXMNHJFFDG-AZUAARDMSA-N 1 0 383.488 3.667 20 30 GHEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000569126365 898354698 /nfs/dbraw/zinc/35/46/98/898354698.db2.gz IXBVVJMVWWIBAO-NSHDSACASA-N 1 0 377.120 3.794 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000569134168 898359063 /nfs/dbraw/zinc/35/90/63/898359063.db2.gz MMPWMGKBMBTYLI-GOEBONIOSA-N 1 0 382.426 3.969 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110263756 898683109 /nfs/dbraw/zinc/68/31/09/898683109.db2.gz IMWXNDDHZWHIMK-UHFFFAOYSA-N 1 0 395.528 3.627 20 30 GHEDRO N#C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000569472103 898695884 /nfs/dbraw/zinc/69/58/84/898695884.db2.gz WTIMCOLMIAJURG-DLBZAZTESA-N 1 0 397.466 3.604 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000289657686 914282541 /nfs/dbraw/zinc/28/25/41/914282541.db2.gz DJZCJRZGAVKKGO-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000112521900 898886318 /nfs/dbraw/zinc/88/63/18/898886318.db2.gz YWNHHLNONNGVAQ-HZPDHXFCSA-N 1 0 385.533 3.960 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000823413961 899022775 /nfs/dbraw/zinc/02/27/75/899022775.db2.gz PTLOTHOVSCMQPC-MBSDFSHPSA-N 1 0 397.519 3.658 20 30 GHEDRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884143376 899068252 /nfs/dbraw/zinc/06/82/52/899068252.db2.gz FXFYKSUKRCRAJW-LECRGTDLSA-N 1 0 379.529 3.596 20 30 GHEDRO CCN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000884145697 899076671 /nfs/dbraw/zinc/07/66/71/899076671.db2.gz QFOPXWOQYOSFCK-LARMFPEUSA-N 1 0 379.426 3.754 20 30 GHEDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331883871 899242454 /nfs/dbraw/zinc/24/24/54/899242454.db2.gz FIAIMBUDSBVDRV-HRCADAONSA-N 1 0 389.565 3.699 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CC1 ZINC000116503802 899277285 /nfs/dbraw/zinc/27/72/85/899277285.db2.gz PAPREZFENYKQBL-MHZLTWQESA-N 1 0 391.581 3.896 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)sc2C1 ZINC000331943428 899283145 /nfs/dbraw/zinc/28/31/45/899283145.db2.gz MIUKPAXSLGNLQB-RDBSUJKOSA-N 1 0 388.537 3.709 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(-n2cccn2)c(F)c1 ZINC000570945001 899684449 /nfs/dbraw/zinc/68/44/49/899684449.db2.gz NZSQCKDHSNXRNC-QGZVFWFLSA-N 1 0 391.450 3.609 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2cccc(C)c2)cc1 ZINC000134182487 899721218 /nfs/dbraw/zinc/72/12/18/899721218.db2.gz UWHPCKRJEVTFFH-HXUWFJFHSA-O 1 0 397.564 3.942 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC(c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC000884317955 899778566 /nfs/dbraw/zinc/77/85/66/899778566.db2.gz IBAOZTLNNOYSFS-IPCDKGFNSA-N 1 0 391.437 3.551 20 30 GHEDRO O[C@@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)COCc1ccccc1Cl ZINC000571315624 899824535 /nfs/dbraw/zinc/82/45/35/899824535.db2.gz LDJSIWHMWVLIJE-SFHVURJKSA-N 1 0 397.824 3.878 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4nc5ccccc5s4)C3)CC2=O)c1 ZINC001136953412 899838047 /nfs/dbraw/zinc/83/80/47/899838047.db2.gz AVKPRCKYDCNBMB-QFIPXVFZSA-N 1 0 388.496 3.797 20 30 GHEDRO CC1CC[NH+](CCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000571454040 899874104 /nfs/dbraw/zinc/87/41/04/899874104.db2.gz QGTDLEDQJADZCT-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO COc1cc(C[N@H+](C)CCOCc2ccc(C#N)cc2)ccc1OC(F)F ZINC000571837797 899980920 /nfs/dbraw/zinc/98/09/20/899980920.db2.gz TVFFXMGXVAQJFY-UHFFFAOYSA-N 1 0 376.403 3.817 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778804200 899984926 /nfs/dbraw/zinc/98/49/26/899984926.db2.gz LSQRFTLOGSJLOX-UGKGYDQZSA-N 1 0 393.506 3.881 20 30 GHEDRO N#Cc1cnc(N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c(F)c1 ZINC000884592253 900185781 /nfs/dbraw/zinc/18/57/81/900185781.db2.gz JELOHSCOKQXAPK-IBGZPJMESA-N 1 0 380.467 3.718 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(F)c(F)c1 ZINC000572505231 900206517 /nfs/dbraw/zinc/20/65/17/900206517.db2.gz YKZMKADWIAIHOS-UNMCSNQZSA-N 1 0 395.457 3.798 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135267821 900212293 /nfs/dbraw/zinc/21/22/93/900212293.db2.gz YNJQHHRXZVMZFD-OAHLLOKOSA-N 1 0 376.476 3.750 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)c1ccsc1 ZINC000135275282 900213342 /nfs/dbraw/zinc/21/33/42/900213342.db2.gz NVAPEBQCGJVEKI-QGZVFWFLSA-N 1 0 390.484 3.994 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000844317740 900725129 /nfs/dbraw/zinc/72/51/29/900725129.db2.gz JRSYJWPMRICYBK-WMLDXEAASA-N 1 0 388.468 3.592 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC000844356846 900761563 /nfs/dbraw/zinc/76/15/63/900761563.db2.gz TVABJTOCVIREFB-NJYVYQBISA-N 1 0 399.535 3.843 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000844365227 900775686 /nfs/dbraw/zinc/77/56/86/900775686.db2.gz CSMHVBGDKSZQGW-SFHVURJKSA-N 1 0 391.393 3.571 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367076 900777024 /nfs/dbraw/zinc/77/70/24/900777024.db2.gz QWKJOSMOSQFXCO-GOSISDBHSA-N 1 0 392.286 3.859 20 30 GHEDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399525 900796094 /nfs/dbraw/zinc/79/60/94/900796094.db2.gz CBVZFEQEGQXMHA-AHRSYUTCSA-N 1 0 387.524 3.607 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000574349267 900855666 /nfs/dbraw/zinc/85/56/66/900855666.db2.gz KKBJGFXJHNIEOF-KNQAVFIVSA-N 1 0 381.545 3.938 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccccc1C#N ZINC000056159830 900870546 /nfs/dbraw/zinc/87/05/46/900870546.db2.gz CRRSIUSZOVOYDS-HUUCEWRRSA-N 1 0 391.475 3.520 20 30 GHEDRO COCCO[C@@H]1CCC2(CC[NH+](Cc3cncc(C#N)c3)CC2)c2ccccc21 ZINC001144080582 901048395 /nfs/dbraw/zinc/04/83/95/901048395.db2.gz RCJZVTKQADCHBX-HSZRJFAPSA-N 1 0 391.515 3.985 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)nc1 ZINC001144159117 901170886 /nfs/dbraw/zinc/17/08/86/901170886.db2.gz YYQCBCMLURQZQE-UHFFFAOYSA-N 1 0 378.520 3.514 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCOCC1 ZINC000887124640 901446937 /nfs/dbraw/zinc/44/69/37/901446937.db2.gz MSFMWRHKKYEGRD-UHFFFAOYSA-N 1 0 375.683 3.747 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1Cl ZINC000092010179 901465332 /nfs/dbraw/zinc/46/53/32/901465332.db2.gz QNVAJUXTOQWRBE-QFBILLFUSA-N 1 0 375.900 3.584 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)[C@@H]1c1ccccc1 ZINC000575936815 901495795 /nfs/dbraw/zinc/49/57/95/901495795.db2.gz OVKACRBNUYPVRM-GMAHTHKFSA-N 1 0 399.498 3.639 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)o1 ZINC000092965677 901519957 /nfs/dbraw/zinc/51/99/57/901519957.db2.gz TVNUJRYLEQHDIF-UHFFFAOYSA-N 1 0 388.265 3.764 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC(C)(C)c1nc(C)c(C)s1)C(C)C ZINC000576027836 901604518 /nfs/dbraw/zinc/60/45/18/901604518.db2.gz NCMLMXMFOJKQGW-QGZVFWFLSA-N 1 0 378.586 3.993 20 30 GHEDRO Cc1ccc(N2CCC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000778940990 902017613 /nfs/dbraw/zinc/01/76/13/902017613.db2.gz QKSIEOWKRUQMPY-QHCPKHFHSA-N 1 0 388.515 3.574 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000333344686 902023385 /nfs/dbraw/zinc/02/33/85/902023385.db2.gz QIAQUNZLNHTQPZ-RHSMWYFYSA-N 1 0 391.313 3.707 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001144396275 902029289 /nfs/dbraw/zinc/02/92/89/902029289.db2.gz ZQVFUPJIRQVWIS-XWGVYQGASA-N 1 0 389.543 3.939 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cccc(C#N)c1 ZINC000290266535 914603687 /nfs/dbraw/zinc/60/36/87/914603687.db2.gz VRZULQZRPBMJAA-MRXNPFEDSA-N 1 0 388.471 3.778 20 30 GHEDRO [NH3+]CCCCCn1cc(-c2csc(N=NCc3ccccc3Cl)n2)nn1 ZINC000887419260 902253988 /nfs/dbraw/zinc/25/39/88/902253988.db2.gz IUNJERCEUBEAEZ-UHFFFAOYSA-N 1 0 389.916 3.630 20 30 GHEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000576869669 902322166 /nfs/dbraw/zinc/32/21/66/902322166.db2.gz YHYYANPMHKPGIC-SNRMKQJTSA-N 1 0 384.442 3.532 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC001171198986 902402462 /nfs/dbraw/zinc/40/24/62/902402462.db2.gz UIXNBZNIVDYTFA-NSISKUIASA-N 1 0 379.479 3.959 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC000845816398 902420528 /nfs/dbraw/zinc/42/05/28/902420528.db2.gz VBJRSTNIMJIXIY-MJGOQNOKSA-N 1 0 380.492 3.578 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000577101652 902501453 /nfs/dbraw/zinc/50/14/53/902501453.db2.gz AGIZGKRTSALFMO-UHFFFAOYSA-N 1 0 384.911 3.699 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000128176789 902619410 /nfs/dbraw/zinc/61/94/10/902619410.db2.gz OSLDNGSYCDWZRH-IBGZPJMESA-N 1 0 389.499 3.695 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@@H+]([C@@H](C)Cc4cccc(C#N)c4)C3)CC2=O)cc1 ZINC001171208796 902632416 /nfs/dbraw/zinc/63/24/16/902632416.db2.gz DZYHQRUAINRVLY-MHECFPHRSA-N 1 0 389.499 3.627 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001171212823 902704883 /nfs/dbraw/zinc/70/48/83/902704883.db2.gz QEWMRMQMELGHAZ-WDJPJFJCSA-N 1 0 391.515 3.725 20 30 GHEDRO N#CCCCn1cc(-c2csc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2)nn1 ZINC000887541419 902776129 /nfs/dbraw/zinc/77/61/29/902776129.db2.gz IKCWYKZVEUKMDK-KRWDZBQOSA-N 1 0 378.505 3.695 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001171218392 902776560 /nfs/dbraw/zinc/77/65/60/902776560.db2.gz UWVWFDBZGFIIMJ-NTKDMRAZSA-N 1 0 388.515 3.541 20 30 GHEDRO Cc1ccc(C)c(Oc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cn2)c1 ZINC000600715657 902837632 /nfs/dbraw/zinc/83/76/32/902837632.db2.gz HNZYROZXMAZTNL-FQEVSTJZSA-N 1 0 395.503 3.652 20 30 GHEDRO CC(C)n1ncc2cc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)cnc21 ZINC000264141961 902871467 /nfs/dbraw/zinc/87/14/67/902871467.db2.gz QKALIMQEELYEKJ-UHFFFAOYSA-N 1 0 375.476 3.927 20 30 GHEDRO C=CCCO[C@H](C)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000129944213 902875257 /nfs/dbraw/zinc/87/52/57/902875257.db2.gz FOUVENNVRIKAGN-QUCCMNQESA-N 1 0 382.508 3.558 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001171228815 903011514 /nfs/dbraw/zinc/01/15/14/903011514.db2.gz JIMGLWQEUCFRTI-DYESRHJHSA-N 1 0 382.529 3.772 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000601154318 903401191 /nfs/dbraw/zinc/40/11/91/903401191.db2.gz GZHWKRVCKSXAKM-HNNXBMFYSA-N 1 0 376.460 3.720 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1 ZINC000134071134 903463811 /nfs/dbraw/zinc/46/38/11/903463811.db2.gz HARLIAIAYUYKFM-UHFFFAOYSA-N 1 0 399.535 3.755 20 30 GHEDRO COC(=O)CCc1ccccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277588 903539300 /nfs/dbraw/zinc/53/93/00/903539300.db2.gz ULIDEHAUKYIHEG-UHFFFAOYSA-N 1 0 377.488 3.762 20 30 GHEDRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000578285808 903692809 /nfs/dbraw/zinc/69/28/09/903692809.db2.gz WPYKWEHHVXNPDH-INIZCTEOSA-N 1 0 381.442 3.815 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccccc2)c(C)c(C)c1C ZINC000136530688 903790784 /nfs/dbraw/zinc/79/07/84/903790784.db2.gz KKWKZVSZJGGFRD-LJQANCHMSA-O 1 0 397.564 3.773 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)CC1 ZINC000215718224 903978970 /nfs/dbraw/zinc/97/89/70/903978970.db2.gz KAMINSMAIILSJX-UHFFFAOYSA-N 1 0 378.520 3.762 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccc(CC#N)cc1 ZINC000578622690 904012012 /nfs/dbraw/zinc/01/20/12/904012012.db2.gz ZTGDIBJKGXLFGE-OALUTQOASA-N 1 0 390.531 3.708 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](CCc3ccc(OC)cc3)CC2)cc1 ZINC001148468223 904080267 /nfs/dbraw/zinc/08/02/67/904080267.db2.gz SFPBPFFQYCNJKG-UHFFFAOYSA-N 1 0 394.515 3.697 20 30 GHEDRO Cc1cccc(N(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001148614477 904139671 /nfs/dbraw/zinc/13/96/71/904139671.db2.gz SQBCZDGRBKKYRK-OUOWLKGYSA-N 1 0 389.499 3.790 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000578902592 904213423 /nfs/dbraw/zinc/21/34/23/904213423.db2.gz DARZHMDYMXHTBK-NYVOZVTQSA-N 1 0 391.515 3.524 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)CCC#N)cc3)nc2)CC1 ZINC001148901060 904241663 /nfs/dbraw/zinc/24/16/63/904241663.db2.gz RIIBXUBTIVKWNR-UHFFFAOYSA-N 1 0 391.519 3.667 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C#N)c4ncccc34)cc2)CC1 ZINC001149005504 904265684 /nfs/dbraw/zinc/26/56/84/904265684.db2.gz HZBGNOQZLUFQLV-UHFFFAOYSA-N 1 0 385.471 3.501 20 30 GHEDRO C#CCSCC[NH2+][C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779116288 904312690 /nfs/dbraw/zinc/31/26/90/904312690.db2.gz KLGOBAJWSYFSSU-NRFANRHFSA-N 1 0 387.570 3.698 20 30 GHEDRO N#CCOc1ccc(/C=C/C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000153799536 904399386 /nfs/dbraw/zinc/39/93/86/904399386.db2.gz GGGDMHPIKNGFHD-JXMROGBWSA-N 1 0 381.520 3.717 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1cccc2nc([C@H]3C[NH2+]CCO3)cn21 ZINC001171376416 904404505 /nfs/dbraw/zinc/40/45/05/904404505.db2.gz WCMQFWGRSHCRPY-OXJNMPFZSA-N 1 0 378.476 3.733 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)cc1C#N ZINC000773073352 904413621 /nfs/dbraw/zinc/41/36/21/904413621.db2.gz CPEIYLPASFJPNA-INIZCTEOSA-N 1 0 376.460 3.671 20 30 GHEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000889091667 904430774 /nfs/dbraw/zinc/43/07/74/904430774.db2.gz YWSQGGRWBKJSLX-WIYYLYMNSA-N 1 0 377.492 3.737 20 30 GHEDRO Cc1ccc(N2c3ccccc3OC[C@H]2C[NH3+])cc1NC(=O)c1cccc(C#N)c1 ZINC001171400675 904504224 /nfs/dbraw/zinc/50/42/24/904504224.db2.gz NPTMDMSQWABBKM-HXUWFJFHSA-N 1 0 398.466 3.977 20 30 GHEDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000579559154 904701636 /nfs/dbraw/zinc/70/16/36/904701636.db2.gz AQMTZTBDOPEQTO-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@H]1C[C@@H](C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C ZINC000889810297 904774727 /nfs/dbraw/zinc/77/47/27/904774727.db2.gz UNQIFXUZAWWXEA-RBDMOPTHSA-N 1 0 377.488 3.677 20 30 GHEDRO C[C@H]1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C ZINC000889810301 904775452 /nfs/dbraw/zinc/77/54/52/904775452.db2.gz UNQIFXUZAWWXEA-XJABCFGWSA-N 1 0 377.488 3.677 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000188050199 904864077 /nfs/dbraw/zinc/86/40/77/904864077.db2.gz LVDKWQDHXHDTAU-QGZVFWFLSA-N 1 0 383.517 3.794 20 30 GHEDRO COC(=O)[C@@]1(NCc2cc(Cl)cc(C#N)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001171653671 904898730 /nfs/dbraw/zinc/89/87/30/904898730.db2.gz MYKCYLXPNQTEGK-JOCHJYFZSA-N 1 0 397.906 3.509 20 30 GHEDRO CCOC(=O)c1csc(CC/[NH+]=C/c2ccc(N(CC)CC)cc2O)n1 ZINC000188553377 904939965 /nfs/dbraw/zinc/93/99/65/904939965.db2.gz FBQJOAHQEWMHNC-UDWIEESQSA-N 1 0 375.494 3.533 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC12CCC2 ZINC001171848281 905096711 /nfs/dbraw/zinc/09/67/11/905096711.db2.gz ODDAYCZOZYXQED-HOTGVXAUSA-N 1 0 378.538 3.583 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000173885913 905155895 /nfs/dbraw/zinc/15/58/95/905155895.db2.gz HDMNXDLUZSIKDN-MSOLQXFVSA-N 1 0 392.503 3.939 20 30 GHEDRO CC(C)C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1)C(=O)NO ZINC001172054663 905254783 /nfs/dbraw/zinc/25/47/83/905254783.db2.gz YZTZCNTVEMQVNN-IRXDYDNUSA-N 1 0 397.560 3.599 20 30 GHEDRO N#CC1(c2ccc(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2)CC1 ZINC000365759336 921139677 /nfs/dbraw/zinc/13/96/77/921139677.db2.gz JPLMAEWKTXSKAB-FGZHOGPDSA-N 1 0 385.511 3.836 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4C)cc(C#N)c21 ZINC001172118633 905376056 /nfs/dbraw/zinc/37/60/56/905376056.db2.gz SQQSDUKBWDXLQM-FJGOKHBRSA-N 1 0 378.520 3.709 20 30 GHEDRO CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174955385 905400242 /nfs/dbraw/zinc/40/02/42/905400242.db2.gz VTGXNVVZANEWNY-NRFANRHFSA-N 1 0 387.487 3.705 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)c1ccc(Br)c(F)c1 ZINC001172303499 905456619 /nfs/dbraw/zinc/45/66/19/905456619.db2.gz YTCCGTBXVALQQK-LBPRGKRZSA-N 1 0 375.241 3.863 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001172304188 905456938 /nfs/dbraw/zinc/45/69/38/905456938.db2.gz IYWLYQRBMRCGDL-CVDCTZTESA-N 1 0 375.516 3.703 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC001172306215 905461276 /nfs/dbraw/zinc/46/12/76/905461276.db2.gz CBOOEBGXHWCQJR-XXBNENTESA-N 1 0 387.527 3.970 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001172306808 905463349 /nfs/dbraw/zinc/46/33/49/905463349.db2.gz YSJSGWDQXLJHDQ-WDJPJFJCSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001172309272 905467322 /nfs/dbraw/zinc/46/73/22/905467322.db2.gz SGKSWLLISKDEEB-AVCGJXAMSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172289495 905480732 /nfs/dbraw/zinc/48/07/32/905480732.db2.gz DECHMDLHPJFSHB-DHJUGAMNSA-N 1 0 399.535 3.637 20 30 GHEDRO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172296473 905482846 /nfs/dbraw/zinc/48/28/46/905482846.db2.gz CLJMIPGEHFXTMI-CYSDGLOUSA-N 1 0 389.543 3.905 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001172299990 905484476 /nfs/dbraw/zinc/48/44/76/905484476.db2.gz QQKYQFMPUYWQFF-KRWDZBQOSA-N 1 0 379.479 3.770 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH2+]CC(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC001172350292 905519239 /nfs/dbraw/zinc/51/92/39/905519239.db2.gz MOUFDXPNOXOOFS-YLJYHZDGSA-N 1 0 394.556 3.582 20 30 GHEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001172350128 905519859 /nfs/dbraw/zinc/51/98/59/905519859.db2.gz JZXGMHMGNWFKRI-IBGZPJMESA-N 1 0 381.586 3.545 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001172479747 905555855 /nfs/dbraw/zinc/55/58/55/905555855.db2.gz KODPSTDLJFEAMG-MSOLQXFVSA-N 1 0 379.545 3.855 20 30 GHEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001172495152 905598674 /nfs/dbraw/zinc/59/86/74/905598674.db2.gz NELOQZMCCPIPSF-MGPUTAFESA-N 1 0 388.899 3.972 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001172509958 905603443 /nfs/dbraw/zinc/60/34/43/905603443.db2.gz SZVLTQAVDXTMKK-QGZVFWFLSA-N 1 0 378.561 3.522 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCC[C@@H](C(=O)OC)CC1)CC2 ZINC001172782678 905823415 /nfs/dbraw/zinc/82/34/15/905823415.db2.gz PHFBMZHVFVQCAI-RTBURBONSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN([C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172861955 905916277 /nfs/dbraw/zinc/91/62/77/905916277.db2.gz OGZQTWJGNWHWCR-GOSISDBHSA-N 1 0 379.951 3.702 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)CC1 ZINC001172907884 905935913 /nfs/dbraw/zinc/93/59/13/905935913.db2.gz ISIJPZYXCNUBCN-IBGZPJMESA-N 1 0 399.491 3.563 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)CC1 ZINC001172907885 905936482 /nfs/dbraw/zinc/93/64/82/905936482.db2.gz ISIJPZYXCNUBCN-LJQANCHMSA-N 1 0 399.491 3.563 20 30 GHEDRO N#Cc1ccc(N2CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172916075 905988551 /nfs/dbraw/zinc/98/85/51/905988551.db2.gz QKSVSKGHVJIFCZ-NRFANRHFSA-N 1 0 376.460 3.536 20 30 GHEDRO N#Cc1ccc(N2CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c(F)c1 ZINC001172918871 905988962 /nfs/dbraw/zinc/98/89/62/905988962.db2.gz CSWDVLMJDDIACJ-IBGZPJMESA-N 1 0 394.450 3.675 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)nc2)C[C@H]1C#N ZINC001172966728 906027597 /nfs/dbraw/zinc/02/75/97/906027597.db2.gz PRIWUGHYZPKOEE-GJZGRUSLSA-N 1 0 398.429 3.524 20 30 GHEDRO CC[N@H+](CCc1ccc(OC)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990623 906034624 /nfs/dbraw/zinc/03/46/24/906034624.db2.gz PRRYHGZTLJCLSN-MOPGFXCFSA-N 1 0 387.524 3.851 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(Cc3ccccn3)CCC2)C[C@H]1C#N ZINC001172974227 906038809 /nfs/dbraw/zinc/03/88/09/906038809.db2.gz NBQSGVIYYDJIHZ-MJGOQNOKSA-N 1 0 384.524 3.676 20 30 GHEDRO COc1ccc(CC2(C[NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CC2)cc1 ZINC001172977323 906041786 /nfs/dbraw/zinc/04/17/86/906041786.db2.gz FBQPVGJQRQLOAX-MOPGFXCFSA-N 1 0 399.535 3.899 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)C[C@H]1C#N ZINC001172977417 906042200 /nfs/dbraw/zinc/04/22/00/906042200.db2.gz FWVCPEHGQPDQME-HKBOAZHASA-N 1 0 398.551 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3ccccc3c3c2C[C@H]([NH3+])C3)C[C@H]1C#N ZINC001172976342 906042900 /nfs/dbraw/zinc/04/29/00/906042900.db2.gz OJMMOWYMADALCY-OAGGEKHMSA-N 1 0 380.492 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2([C@@H]3CCOC(C)(C)C3)CC2)C[C@H]1C#N ZINC001172977541 906044675 /nfs/dbraw/zinc/04/46/75/906044675.db2.gz CNVZLGVSLYKFTP-IKGGRYGDSA-N 1 0 377.529 3.605 20 30 GHEDRO COc1cccc(CC2(C[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CC2)c1 ZINC001172977614 906044697 /nfs/dbraw/zinc/04/46/97/906044697.db2.gz HOBBUUJGDGVMOG-OALUTQOASA-N 1 0 399.535 3.899 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C[C@H]1C#N ZINC001172978562 906045843 /nfs/dbraw/zinc/04/58/43/906045843.db2.gz NOZOJZSTCUGQPU-KURKYZTESA-N 1 0 375.900 3.688 20 30 GHEDRO Cc1ccc2cccc(C[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c2n1 ZINC001172978907 906046033 /nfs/dbraw/zinc/04/60/33/906046033.db2.gz OFILVOJEJPHTLZ-OALUTQOASA-N 1 0 380.492 3.925 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C[NH3+])cc2C(F)(F)F)C[C@H]1C#N ZINC001172982018 906049817 /nfs/dbraw/zinc/04/98/17/906049817.db2.gz RDQLWYUOCFXKQZ-KBPBESRZSA-N 1 0 398.429 3.868 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(CC#N)c1 ZINC000178329731 906327629 /nfs/dbraw/zinc/32/76/29/906327629.db2.gz NLPAGSLYGMVXET-QFIPXVFZSA-N 1 0 399.498 3.957 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001173324519 906372718 /nfs/dbraw/zinc/37/27/18/906372718.db2.gz PJPYOSCCAQQYFE-BBHUYCHWSA-N 1 0 383.536 3.552 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC(c3cccc(S(C)(=O)=O)c3)CC2)CC1 ZINC001173323282 906372780 /nfs/dbraw/zinc/37/27/80/906372780.db2.gz CBFQZKCUBQXHBJ-UHFFFAOYSA-N 1 0 377.550 3.783 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]C1CCC(CC#N)CC1)CCO2 ZINC001173329823 906375661 /nfs/dbraw/zinc/37/56/61/906375661.db2.gz JPQGXTKVDMJNAA-CTWPCTMYSA-N 1 0 391.556 3.997 20 30 GHEDRO N#CCC1CCC(N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001173333519 906378063 /nfs/dbraw/zinc/37/80/63/906378063.db2.gz OTTMVIMJBUBYAO-MSVHFWJSSA-N 1 0 381.568 3.530 20 30 GHEDRO C=CCOC1CCC([NH2+]C2CCN(Cc3ccc(OC)c(F)c3)CC2)CC1 ZINC001173315919 906389473 /nfs/dbraw/zinc/38/94/73/906389473.db2.gz BUZLHBSFECUPQG-UHFFFAOYSA-N 1 0 376.516 3.902 20 30 GHEDRO COc1c(C)ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000178892842 906398694 /nfs/dbraw/zinc/39/86/94/906398694.db2.gz LQCLRODYJXKUEO-UHFFFAOYSA-N 1 0 380.492 3.779 20 30 GHEDRO CC1(C)Cc2cc(C[NH2+]C3CCN(C(=O)c4ccc(C#N)cc4)CC3)ccc2O1 ZINC001173425723 906461775 /nfs/dbraw/zinc/46/17/75/906461775.db2.gz IMVGAGBWFGTEPL-UHFFFAOYSA-N 1 0 389.499 3.666 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccc(Cl)cc4C3)CC2)cc1 ZINC001173429473 906466569 /nfs/dbraw/zinc/46/65/69/906466569.db2.gz XTKUGHONMJFCSP-UHFFFAOYSA-N 1 0 379.891 3.875 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]([NH2+]C3CCC(C)(C#N)CC3)CO2)C1 ZINC001173588275 906545236 /nfs/dbraw/zinc/54/52/36/906545236.db2.gz AKNXLXOTMRYADM-HPAHXVRCSA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CC[NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC001173591737 906546849 /nfs/dbraw/zinc/54/68/49/906546849.db2.gz XGFYSYCEEQRMAY-TZQQIIETSA-N 1 0 395.544 3.674 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001173732828 906673801 /nfs/dbraw/zinc/67/38/01/906673801.db2.gz YJZCFPAMQXXFDA-QGZVFWFLSA-N 1 0 378.472 3.819 20 30 GHEDRO N#Cc1cc(C[NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ccc1F ZINC001173772013 906689617 /nfs/dbraw/zinc/68/96/17/906689617.db2.gz VJXMEBSXYQCSOF-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO CCN(C(=O)Cc1ccccc1CC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000777366469 906905441 /nfs/dbraw/zinc/90/54/41/906905441.db2.gz DIMVHFYFZVJSOD-CVDCTZTESA-N 1 0 375.516 3.979 20 30 GHEDRO C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181495097 907013022 /nfs/dbraw/zinc/01/30/22/907013022.db2.gz WHSSISHKJOSCAX-AZUAARDMSA-N 1 0 383.536 3.877 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1NC(C)=O ZINC000182002014 907113075 /nfs/dbraw/zinc/11/30/75/907113075.db2.gz FHJFDGZANRFVJT-UHFFFAOYSA-N 1 0 378.476 3.602 20 30 GHEDRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000182026191 907118179 /nfs/dbraw/zinc/11/81/79/907118179.db2.gz XTXQGOCTKHRZEK-SCLBCKFNSA-N 1 0 375.266 3.736 20 30 GHEDRO COC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000182106952 907135446 /nfs/dbraw/zinc/13/54/46/907135446.db2.gz CGQMJVMIUJBHOU-QFIPXVFZSA-N 1 0 385.458 3.778 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000191750591 907212100 /nfs/dbraw/zinc/21/21/00/907212100.db2.gz FMBRUELDENFAGE-CQSZACIVSA-N 1 0 381.904 3.526 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000182540780 907225818 /nfs/dbraw/zinc/22/58/18/907225818.db2.gz OOENKLQBRMAMPM-GOSISDBHSA-N 1 0 392.503 3.859 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C)c2C)c1C#N ZINC000183390495 907380118 /nfs/dbraw/zinc/38/01/18/907380118.db2.gz VCJJQCNDMWKAIN-HNNXBMFYSA-N 1 0 396.539 3.813 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192093962 907401327 /nfs/dbraw/zinc/40/13/27/907401327.db2.gz PSVPWSQROZXFTP-ICSRJNTNSA-N 1 0 387.842 3.799 20 30 GHEDRO COc1ccc2cc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000192243941 907558211 /nfs/dbraw/zinc/55/82/11/907558211.db2.gz AWANGEXCNFUXMN-QHCPKHFHSA-N 1 0 385.467 3.611 20 30 GHEDRO COc1ccc2cc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000192243935 907558411 /nfs/dbraw/zinc/55/84/11/907558411.db2.gz AWANGEXCNFUXMN-HSZRJFAPSA-N 1 0 385.467 3.611 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3nc(C(F)(F)F)ccc3C#N)cc2)CC1 ZINC001175783412 907745793 /nfs/dbraw/zinc/74/57/93/907745793.db2.gz KWRKFQITPXJVRS-UHFFFAOYSA-N 1 0 375.398 3.858 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2cc(C#N)cc(C(F)(F)F)c2)cc1 ZINC001175812485 907770005 /nfs/dbraw/zinc/77/00/05/907770005.db2.gz YPQFHORZHVOLPY-UHFFFAOYSA-N 1 0 376.382 3.612 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H]1CCCC[C@H]1C)[n+]1ccc(C)cc1 ZINC000186963099 908012031 /nfs/dbraw/zinc/01/20/31/908012031.db2.gz ZNQOPDDUMLYEPY-PBHICJAKSA-O 1 0 386.541 3.994 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccccc1 ZINC000186980610 908014388 /nfs/dbraw/zinc/01/43/88/908014388.db2.gz NSNKWCMBOVMINA-UHFFFAOYSA-O 1 0 387.525 3.708 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cc(Br)cc(C#N)c2)cn1 ZINC001176355290 908069694 /nfs/dbraw/zinc/06/96/94/908069694.db2.gz HHZOOXRVVONCJA-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001176451591 908115201 /nfs/dbraw/zinc/11/52/01/908115201.db2.gz DECSZEFGRBKFEB-FQEVSTJZSA-N 1 0 377.444 3.936 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)C1 ZINC001176932993 908307173 /nfs/dbraw/zinc/30/71/73/908307173.db2.gz UFWUZHRZUDFMSO-GCJKJVERSA-N 1 0 391.556 3.687 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2ccccc2c1O ZINC000190628474 908510407 /nfs/dbraw/zinc/51/04/07/908510407.db2.gz MBQFJCISZOUCKY-ZHRRBRCNSA-N 1 0 385.467 3.869 20 30 GHEDRO COc1ccccc1NC(=S)NN=C(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779758013 908620821 /nfs/dbraw/zinc/62/08/21/908620821.db2.gz HXWRFLJVMTVHDL-GOSISDBHSA-N 1 0 382.533 3.880 20 30 GHEDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC001177533260 908623701 /nfs/dbraw/zinc/62/37/01/908623701.db2.gz XLLMCWANRXUFKP-LJQANCHMSA-N 1 0 377.488 3.959 20 30 GHEDRO CCOCC[NH+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191484001 908630808 /nfs/dbraw/zinc/63/08/08/908630808.db2.gz PELZWLRQONMXNN-UHFFFAOYSA-N 1 0 377.532 3.540 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192461482 908788978 /nfs/dbraw/zinc/78/89/78/908788978.db2.gz NAYAZJDEAYEKTR-UHFFFAOYSA-N 1 0 393.329 3.637 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001177917464 908801630 /nfs/dbraw/zinc/80/16/30/908801630.db2.gz HYIWHIMGFUGMJY-INIZCTEOSA-N 1 0 387.936 3.646 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccccc2OCC#N)C1 ZINC000194165807 908863118 /nfs/dbraw/zinc/86/31/18/908863118.db2.gz WCFRRZIGDCWKSM-OALUTQOASA-N 1 0 391.515 3.997 20 30 GHEDRO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000195120102 908968318 /nfs/dbraw/zinc/96/83/18/908968318.db2.gz QPNPFDYDUIXKAK-JOCHJYFZSA-N 1 0 379.504 3.651 20 30 GHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)c1 ZINC000195367828 909002926 /nfs/dbraw/zinc/00/29/26/909002926.db2.gz MPXFQIDTKSPRMC-UHFFFAOYSA-N 1 0 388.471 3.623 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@@H+]1C ZINC000266335944 909085128 /nfs/dbraw/zinc/08/51/28/909085128.db2.gz FPQZDFPNLLCYKG-RHSMWYFYSA-N 1 0 383.521 3.552 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H](C)N(CC)C(=O)OC(C)(C)C)cc(OC)c1O ZINC001178625542 909156104 /nfs/dbraw/zinc/15/61/04/909156104.db2.gz VNQILUXWMWOKNR-OAHLLOKOSA-N 1 0 378.513 3.864 20 30 GHEDRO COC(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C ZINC001180068528 909925001 /nfs/dbraw/zinc/92/50/01/909925001.db2.gz OUYZJUKGMGOREE-UHFFFAOYSA-N 1 0 391.471 3.504 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1 ZINC000268777863 910010849 /nfs/dbraw/zinc/01/08/49/910010849.db2.gz WNLTVFZTZFNIRT-KRWDZBQOSA-N 1 0 387.911 3.900 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000299645742 921543266 /nfs/dbraw/zinc/54/32/66/921543266.db2.gz RAYCIYHFWKRZIN-UHFFFAOYSA-N 1 0 391.519 3.754 20 30 GHEDRO CC[NH+](CC)CC(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001180389712 910109259 /nfs/dbraw/zinc/10/92/59/910109259.db2.gz QEIGXSPOCAYOCO-JOCHJYFZSA-N 1 0 375.516 3.687 20 30 GHEDRO Cc1cc(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c(Br)c1 ZINC000269267932 910200301 /nfs/dbraw/zinc/20/03/01/910200301.db2.gz KNLBFFZYGGIPGF-UHFFFAOYSA-N 1 0 381.318 3.765 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cc(C)c(F)cc1F)[n+]1cccc(C)c1 ZINC000269716927 910340238 /nfs/dbraw/zinc/34/02/38/910340238.db2.gz SRHYPTLFAQKLPG-UHFFFAOYSA-O 1 0 395.520 3.761 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1O ZINC001180811607 910379263 /nfs/dbraw/zinc/37/92/63/910379263.db2.gz UAKXCKOSDRGRKN-MRXNPFEDSA-N 1 0 390.487 3.784 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)Nc1cccnc1C[NH3+] ZINC001181361472 910727686 /nfs/dbraw/zinc/72/76/86/910727686.db2.gz VXWZCLVBXNGOEJ-UHFFFAOYSA-N 1 0 376.545 3.858 20 30 GHEDRO O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCC(F)(F)F ZINC001274583809 910995368 /nfs/dbraw/zinc/99/53/68/910995368.db2.gz IDHDMUSOQURRIM-IRXDYDNUSA-N 1 0 384.829 3.709 20 30 GHEDRO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3C)C2)cc1C#N ZINC001182340523 911510176 /nfs/dbraw/zinc/51/01/76/911510176.db2.gz IHHGKYFBJCQRJV-LJQANCHMSA-N 1 0 390.487 3.676 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000774241298 911526500 /nfs/dbraw/zinc/52/65/00/911526500.db2.gz BTTMHPIIEGVUQC-NZSAHSFTSA-N 1 0 383.452 3.746 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(OCC#N)cc3)CCN2C2CC2)c1 ZINC000801958615 921685081 /nfs/dbraw/zinc/68/50/81/921685081.db2.gz KURSOOXPJLSNPY-PKTZIBPZSA-N 1 0 377.488 3.665 20 30 GHEDRO CCN1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801958122 921686966 /nfs/dbraw/zinc/68/69/66/921686966.db2.gz XKSHRULLUJEEQG-ACRUOGEOSA-N 1 0 387.886 3.809 20 30 GHEDRO CCc1c(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(C)cc2)[nH]c(C)c1C(C)=O ZINC000284051570 911734410 /nfs/dbraw/zinc/73/44/10/911734410.db2.gz JHPXPYVCKHFZLI-UHFFFAOYSA-O 1 0 398.552 3.765 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000801957011 921681865 /nfs/dbraw/zinc/68/18/65/921681865.db2.gz UDDHPRPZABWWGB-FKBYEOEOSA-N 1 0 385.458 3.683 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000092939033 911944422 /nfs/dbraw/zinc/94/44/22/911944422.db2.gz GHCGKQATHUYLIW-UHFFFAOYSA-N 1 0 392.503 3.743 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC2(C)CC2)cc1 ZINC000284619181 911955035 /nfs/dbraw/zinc/95/50/35/911955035.db2.gz ZLQLEOKNUIMCEV-UHFFFAOYSA-O 1 0 384.481 3.526 20 30 GHEDRO CC[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001275015010 912148777 /nfs/dbraw/zinc/14/87/77/912148777.db2.gz UCHZDWPPUZGNNG-ZDUSSCGKSA-N 1 0 394.972 3.858 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000303799583 915114396 /nfs/dbraw/zinc/11/43/96/915114396.db2.gz WMMBIOJFEHWIGU-JOCHJYFZSA-N 1 0 377.488 3.549 20 30 GHEDRO COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N(C)C)c1 ZINC000303787228 915128967 /nfs/dbraw/zinc/12/89/67/915128967.db2.gz SHMSRIHGNJHNBG-QGZVFWFLSA-N 1 0 396.413 3.623 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](CCOc3ccccc3C#N)C2)C1 ZINC000802010813 921751170 /nfs/dbraw/zinc/75/11/70/921751170.db2.gz HOZZCHMSUHFBME-QFIPXVFZSA-N 1 0 385.508 3.660 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000647403284 915206965 /nfs/dbraw/zinc/20/69/65/915206965.db2.gz HCXJCXDYGHYFDN-UYAOXDASSA-N 1 0 389.588 3.695 20 30 GHEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000303891359 915299822 /nfs/dbraw/zinc/29/98/22/915299822.db2.gz NCLCDUGFQJUEMC-INIZCTEOSA-N 1 0 384.377 3.754 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000303897240 915301873 /nfs/dbraw/zinc/30/18/73/915301873.db2.gz QIZCWRSVUNZKNX-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO Cc1cccc(NC(=[NH2+])NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000303902190 915306179 /nfs/dbraw/zinc/30/61/79/915306179.db2.gz XRTBLPARKAPRGG-UHFFFAOYSA-N 1 0 392.425 3.777 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H]1OCCc2sccc21 ZINC000291811107 915374024 /nfs/dbraw/zinc/37/40/24/915374024.db2.gz CYBYWWICDJUAPN-GUXCAODWSA-N 1 0 383.517 3.675 20 30 GHEDRO [NH2+]=C(NCc1ccnc(OCc2ccccc2)c1)N[C@@H]1CCOc2ccccc21 ZINC000304473679 915517002 /nfs/dbraw/zinc/51/70/02/915517002.db2.gz GESKZMZYCQEYMX-HXUWFJFHSA-N 1 0 388.471 3.589 20 30 GHEDRO CCOc1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)ccc1OC(F)F ZINC000304499638 915526773 /nfs/dbraw/zinc/52/67/73/915526773.db2.gz RBYIUKAAGUUOGY-OAHLLOKOSA-N 1 0 391.418 3.615 20 30 GHEDRO C[C@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)c2)CCO1 ZINC000304635391 915564271 /nfs/dbraw/zinc/56/42/71/915564271.db2.gz AUITZROJYNVYEA-SFHVURJKSA-N 1 0 392.547 3.713 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(C)c(F)cc2F)C(=S)NC2CCC2)c1 ZINC000292242197 915578486 /nfs/dbraw/zinc/57/84/86/915578486.db2.gz CIRDXOARQSBHHN-UHFFFAOYSA-O 1 0 375.464 3.950 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1cc(F)ccc1F ZINC000304705765 915633887 /nfs/dbraw/zinc/63/38/87/915633887.db2.gz JMADYONDAIGUKU-UHFFFAOYSA-N 1 0 391.462 3.635 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000304702265 915634221 /nfs/dbraw/zinc/63/42/21/915634221.db2.gz VSYHKPXVDPKNNI-UHFFFAOYSA-N 1 0 386.540 3.939 20 30 GHEDRO N#CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3Cl)C2)C1=O ZINC001275654592 915676334 /nfs/dbraw/zinc/67/63/34/915676334.db2.gz VDNKCIUIBGPJIT-IBGZPJMESA-N 1 0 394.302 3.638 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccccc3I)CC2)C1 ZINC000292799637 915850663 /nfs/dbraw/zinc/85/06/63/915850663.db2.gz MFCTZPDTMHQBGM-UONOGXRCSA-N 1 0 396.272 3.827 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000292872548 915882689 /nfs/dbraw/zinc/88/26/89/915882689.db2.gz SNZQUBHLVBEWGX-DYVFJYSZSA-N 1 0 376.298 3.792 20 30 GHEDRO CCc1cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc(C)n1 ZINC001188350851 915923747 /nfs/dbraw/zinc/92/37/47/915923747.db2.gz BQKWMNXNXUNQGP-AQYVVDRMSA-N 1 0 376.504 3.736 20 30 GHEDRO C[C@H](NC(=[NH2+])NC[C@@]1(O)CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000305207545 916006785 /nfs/dbraw/zinc/00/67/85/916006785.db2.gz NKZWDSFCLIIVIQ-BUXKBTBVSA-N 1 0 378.303 3.793 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@H]21 ZINC001188676638 916102983 /nfs/dbraw/zinc/10/29/83/916102983.db2.gz UVEILQXDQXWXNW-MDNUFGMLSA-N 1 0 388.515 3.520 20 30 GHEDRO COc1cccc(CN(C(=O)c2cccc(CC#N)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001188689427 916113855 /nfs/dbraw/zinc/11/38/55/916113855.db2.gz RQMKRDITQQFSRO-MEMLXQNLSA-N 1 0 377.488 3.674 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCc2ccc(Br)cc2OC)cc1 ZINC000305817498 916454347 /nfs/dbraw/zinc/45/43/47/916454347.db2.gz MWKBCWYDMMLQJV-UHFFFAOYSA-N 1 0 392.297 3.826 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCc3cccc(Br)c3)CC2)C1=O ZINC001275752060 916878716 /nfs/dbraw/zinc/87/87/16/916878716.db2.gz RAXQRXDNUKCLNE-HXUWFJFHSA-N 1 0 391.353 3.882 20 30 GHEDRO N#Cc1cc2c(n(Cc3cc(F)cc(F)c3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001189779115 916913424 /nfs/dbraw/zinc/91/34/24/916913424.db2.gz BGAJFBYKNFNSSU-UHFFFAOYSA-N 1 0 391.421 3.605 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)CC1 ZINC000650496165 917027754 /nfs/dbraw/zinc/02/77/54/917027754.db2.gz QHZWOAKZRXELJZ-UHFFFAOYSA-N 1 0 389.450 3.621 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)[C@@H]1CCCO1 ZINC000775342961 917060515 /nfs/dbraw/zinc/06/05/15/917060515.db2.gz UKUDEZDUIVNXOR-UXHICEINSA-N 1 0 381.472 3.553 20 30 GHEDRO Cc1ccccc1[C@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000796431776 917123915 /nfs/dbraw/zinc/12/39/15/917123915.db2.gz RPXXIAZGWSQPJU-HSZRJFAPSA-N 1 0 377.488 3.641 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001190216134 917202068 /nfs/dbraw/zinc/20/20/68/917202068.db2.gz DNNZYFJJJCTIOO-JTHBVZDNSA-N 1 0 394.490 3.922 20 30 GHEDRO CN(C)c1ccc(C[N@H+](C2CC2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001190447096 917348649 /nfs/dbraw/zinc/34/86/49/917348649.db2.gz ROMSLCAFALFSRH-HSZRJFAPSA-N 1 0 388.515 3.784 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000775398139 917403341 /nfs/dbraw/zinc/40/33/41/917403341.db2.gz FOFQLAPTGLMXKQ-GOSISDBHSA-N 1 0 378.369 3.815 20 30 GHEDRO C=C(C)C[N@@H+](CCC(=O)Nc1ccc(N(C)C)cc1)Cc1cnn(C(C)C)c1 ZINC000796453522 917457104 /nfs/dbraw/zinc/45/71/04/917457104.db2.gz IJVIBEJDQVTTFV-UHFFFAOYSA-N 1 0 383.540 3.937 20 30 GHEDRO CC(C)(C)OC(=O)C1(CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)CCC1 ZINC001190817588 917580300 /nfs/dbraw/zinc/58/03/00/917580300.db2.gz BMADJURRAWFQIO-UHFFFAOYSA-N 1 0 383.536 3.972 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1C ZINC000775418477 917629317 /nfs/dbraw/zinc/62/93/17/917629317.db2.gz JUGWXNCLCFSVIQ-XUZZJYLKSA-N 1 0 391.515 3.918 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCOCC2)cc1Cl ZINC000775441902 917795462 /nfs/dbraw/zinc/79/54/62/917795462.db2.gz ZROPGVAUJLKRGE-NRFANRHFSA-N 1 0 383.879 3.908 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000296405937 918237001 /nfs/dbraw/zinc/23/70/01/918237001.db2.gz WFLKGQUVOMKEID-UHFFFAOYSA-N 1 0 393.487 3.540 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CCCCC3(C#N)CCC3)C2=O)c1 ZINC001191997437 918332684 /nfs/dbraw/zinc/33/26/84/918332684.db2.gz LAQKPKDHTDTZCU-HXUWFJFHSA-N 1 0 385.508 3.605 20 30 GHEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)nn1 ZINC000653703060 918433106 /nfs/dbraw/zinc/43/31/06/918433106.db2.gz ZBVGLXWAPJSJHL-INIZCTEOSA-N 1 0 375.314 3.681 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000297429095 919326043 /nfs/dbraw/zinc/32/60/43/919326043.db2.gz HUAURMLNUMNCOV-UHFFFAOYSA-N 1 0 393.531 3.963 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1snc(C)c1C#N ZINC000297517825 919391950 /nfs/dbraw/zinc/39/19/50/919391950.db2.gz WNCRNLFMTZBITN-KRWDZBQOSA-N 1 0 383.521 3.699 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)cc1 ZINC000115374923 919450035 /nfs/dbraw/zinc/45/00/35/919450035.db2.gz NHVWFSUOVBOSCZ-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000115599250 919459607 /nfs/dbraw/zinc/45/96/07/919459607.db2.gz HCEBIISTGWXIHU-KRWDZBQOSA-N 1 0 375.394 3.671 20 30 GHEDRO COc1cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)ccc1Cl ZINC001275929314 919791733 /nfs/dbraw/zinc/79/17/33/919791733.db2.gz ADYHKJSBBOYFGZ-FQEVSTJZSA-N 1 0 375.900 3.609 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)ccc(F)c3Cl)CC2)C1=O ZINC001275927386 919801959 /nfs/dbraw/zinc/80/19/59/919801959.db2.gz VNTAOKOVVPFZKO-IBGZPJMESA-N 1 0 383.294 3.970 20 30 GHEDRO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000800382391 920008924 /nfs/dbraw/zinc/00/89/24/920008924.db2.gz FUSLYHDUZNOHPE-MRXNPFEDSA-N 1 0 379.426 3.787 20 30 GHEDRO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(CCN(CCC(F)(F)F)C2=O)C1 ZINC001275956739 920198278 /nfs/dbraw/zinc/19/82/78/920198278.db2.gz LTPWZAZVDJJPGL-KRWDZBQOSA-N 1 0 385.817 3.588 20 30 GHEDRO CCCc1c(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000365294195 920614702 /nfs/dbraw/zinc/61/47/02/920614702.db2.gz WJBNAVWMUYXLCR-SFHVURJKSA-N 1 0 394.523 3.644 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(F)(c3ccccn3)CC1)CCC2 ZINC000298571396 920677808 /nfs/dbraw/zinc/67/78/08/920677808.db2.gz QJEIEFVDWMBHKF-UHFFFAOYSA-N 1 0 398.507 3.793 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cccc(Cl)c1Cl)[n+]1cccc(CO)c1 ZINC000802708375 922348882 /nfs/dbraw/zinc/34/88/82/922348882.db2.gz HNSVZTIEWMPSDZ-UHFFFAOYSA-O 1 0 396.319 3.760 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000802714127 922353673 /nfs/dbraw/zinc/35/36/73/922353673.db2.gz DXDRBMJKMDUFNS-KRWDZBQOSA-N 1 0 378.476 3.710 20 30 GHEDRO C#CCOc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803122260 922715404 /nfs/dbraw/zinc/71/54/04/922715404.db2.gz VLJGCVNPKVDYHT-GOSISDBHSA-N 1 0 384.426 3.795 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000368649401 922793588 /nfs/dbraw/zinc/79/35/88/922793588.db2.gz DRVCRBZDQURZKV-HKUYNNGSSA-N 1 0 394.544 3.836 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](OCC2CC2)C1 ZINC000368787462 922874034 /nfs/dbraw/zinc/87/40/34/922874034.db2.gz WDGXYYRFXBNAJA-WMZOPIPTSA-N 1 0 387.549 3.768 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(O)c1 ZINC000748285060 923549258 /nfs/dbraw/zinc/54/92/58/923549258.db2.gz GXMJYAVCOODJNQ-WORIPGKHSA-N 1 0 397.519 3.953 20 30 GHEDRO C[C@H](OC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000748680727 923779229 /nfs/dbraw/zinc/77/92/29/923779229.db2.gz SIROUASDGRTHGB-IBGZPJMESA-N 1 0 377.488 3.765 20 30 GHEDRO C=C[C@@H](CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000371173427 924459857 /nfs/dbraw/zinc/45/98/57/924459857.db2.gz OISVISUWFVODEH-FQEVSTJZSA-N 1 0 377.532 3.907 20 30 GHEDRO N#CC1(NC(=O)c2cnc3ccc(F)cc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000371542040 924649346 /nfs/dbraw/zinc/64/93/46/924649346.db2.gz HHYQDCZNDJWUGZ-UHFFFAOYSA-N 1 0 388.446 3.662 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1F ZINC000371541558 924649539 /nfs/dbraw/zinc/64/95/39/924649539.db2.gz CKDGLPLGKALJNF-MRXNPFEDSA-N 1 0 383.442 3.743 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000409472088 924673803 /nfs/dbraw/zinc/67/38/03/924673803.db2.gz VLKYFCJLTHNUCE-UHFFFAOYSA-N 1 0 387.487 3.516 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000409647649 924852901 /nfs/dbraw/zinc/85/29/01/924852901.db2.gz CLOGOFVYCKIHIJ-KRWDZBQOSA-N 1 0 387.487 3.603 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000827325740 925264268 /nfs/dbraw/zinc/26/42/68/925264268.db2.gz DDXLGKNVUXWDGA-QFIPXVFZSA-N 1 0 399.535 3.801 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410339397 925551771 /nfs/dbraw/zinc/55/17/71/925551771.db2.gz SGYCPLSBAYIFDF-UHFFFAOYSA-N 1 0 378.520 3.825 20 30 GHEDRO CSc1cccc(N(C(=O)c2cc(C)c(C#N)cn2)C2CC[NH+](C)CC2)c1 ZINC000410464390 925662416 /nfs/dbraw/zinc/66/24/16/925662416.db2.gz CGDLIPGHTUWDPW-UHFFFAOYSA-N 1 0 380.517 3.725 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1)C1CCOCC1 ZINC000827565971 925822016 /nfs/dbraw/zinc/82/20/16/925822016.db2.gz QLWQAIKWGSPUOG-NRFANRHFSA-N 1 0 381.520 3.832 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1CCOCC1 ZINC000827570886 925822601 /nfs/dbraw/zinc/82/26/01/925822601.db2.gz TXPRRRDSELFFQY-QHCPKHFHSA-N 1 0 386.499 3.511 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411165376 926155961 /nfs/dbraw/zinc/15/59/61/926155961.db2.gz KBCFYHHVPHHKEX-HNNXBMFYSA-N 1 0 396.447 3.714 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1C#N ZINC000133570706 926324199 /nfs/dbraw/zinc/32/41/99/926324199.db2.gz FNLHJNGTHXEJEK-UHFFFAOYSA-N 1 0 395.413 3.631 20 30 GHEDRO CCc1ccc(-c2ccc(C(=O)Nc3n[nH]c(CCC[NH2+]C)c3C#N)o2)cc1 ZINC000133583435 926327138 /nfs/dbraw/zinc/32/71/38/926327138.db2.gz ZXHWCGVILZBAGE-UHFFFAOYSA-N 1 0 377.448 3.508 20 30 GHEDRO CCC[N@H+](C[C@H]1CCCCO1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411368268 926339657 /nfs/dbraw/zinc/33/96/57/926339657.db2.gz NLFUUHMZDCNAPY-YLJYHZDGSA-N 1 0 375.488 3.742 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3ccncc3)sc2C1 ZINC000411436249 926388172 /nfs/dbraw/zinc/38/81/72/926388172.db2.gz FCUUXLLAAYTZCB-HNNXBMFYSA-N 1 0 382.533 3.643 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H](CCO)c3ccccc3)sc2C1 ZINC000411440892 926399533 /nfs/dbraw/zinc/39/95/33/926399533.db2.gz CMQYZBIYVPFHBM-HNAYVOBHSA-N 1 0 397.544 3.786 20 30 GHEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411452296 926411370 /nfs/dbraw/zinc/41/13/70/926411370.db2.gz PGYOMXTWVZMQLU-GFCCVEGCSA-N 1 0 387.480 3.936 20 30 GHEDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000411513022 926469651 /nfs/dbraw/zinc/46/96/51/926469651.db2.gz OAJNQJZXPXXFSU-MRXNPFEDSA-N 1 0 387.505 3.570 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000725905238 926491421 /nfs/dbraw/zinc/49/14/21/926491421.db2.gz MTWSWCGOQVJDJT-HXUWFJFHSA-N 1 0 389.499 3.598 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cc1)C(C)C ZINC000726053215 926539726 /nfs/dbraw/zinc/53/97/26/926539726.db2.gz CGZJKJFNBAENHB-UHFFFAOYSA-N 1 0 399.535 3.759 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000374000241 926640878 /nfs/dbraw/zinc/64/08/78/926640878.db2.gz VJTXABUZMCJPIZ-AZUAARDMSA-N 1 0 382.533 3.545 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C12CCCC2 ZINC000411721915 926695227 /nfs/dbraw/zinc/69/52/27/926695227.db2.gz PQLMBEZZGNVASJ-ROUUACIJSA-N 1 0 387.549 3.764 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccn1 ZINC000411741127 926716045 /nfs/dbraw/zinc/71/60/45/926716045.db2.gz PJWDCVGTWAVNKS-KGLIPLIRSA-N 1 0 398.532 3.828 20 30 GHEDRO CC[C@H](C)[N@@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000726586068 926744041 /nfs/dbraw/zinc/74/40/41/926744041.db2.gz GEWPVIPNAZUDNC-SFHVURJKSA-N 1 0 390.487 3.581 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000411800170 926789618 /nfs/dbraw/zinc/78/96/18/926789618.db2.gz UBMQCCKBTAANKZ-SFHVURJKSA-N 1 0 391.393 3.619 20 30 GHEDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000411967236 926945526 /nfs/dbraw/zinc/94/55/26/926945526.db2.gz HUWZKUJBBKCTMG-ZUOKHONESA-N 1 0 375.538 3.620 20 30 GHEDRO N#CC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000374863443 927616456 /nfs/dbraw/zinc/61/64/56/927616456.db2.gz JHVDZKIDTFHVSU-UHFFFAOYSA-N 1 0 398.850 3.536 20 30 GHEDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374882895 927650197 /nfs/dbraw/zinc/65/01/97/927650197.db2.gz RDWPTQMARUQJLW-RBUKOAKNSA-N 1 0 379.529 3.835 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000374901001 927674906 /nfs/dbraw/zinc/67/49/06/927674906.db2.gz VVTOYJFQKFRAJN-RTBURBONSA-N 1 0 395.453 3.743 20 30 GHEDRO Cc1ccc2cccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2n1 ZINC000374902163 927676491 /nfs/dbraw/zinc/67/64/91/927676491.db2.gz ZHIPQTVDDOJRDJ-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO N#Cc1ncc(C(F)(F)F)cc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000413233457 928348310 /nfs/dbraw/zinc/34/83/10/928348310.db2.gz DMMGTVXOWNMHTF-QGZVFWFLSA-N 1 0 390.409 3.541 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000752053640 928572086 /nfs/dbraw/zinc/57/20/86/928572086.db2.gz HENFWWKMXCOPFO-WOJBJXKFSA-N 1 0 399.535 3.686 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752252281 928714687 /nfs/dbraw/zinc/71/46/87/928714687.db2.gz DKEXXZWEJRTHLJ-UHFFFAOYSA-N 1 0 387.499 3.958 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cc(-n4ccnc4)cs3)CC2)cc1 ZINC000544349398 929081312 /nfs/dbraw/zinc/08/13/12/929081312.db2.gz VFMVCJSDQCGCIF-UHFFFAOYSA-N 1 0 377.517 3.513 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)CC2(C#N)CCCC2)CCCC1)c1ccccc1 ZINC000544724325 929501712 /nfs/dbraw/zinc/50/17/12/929501712.db2.gz FQNPTJUXNVOUAC-GOSISDBHSA-N 1 0 389.565 3.653 20 30 GHEDRO CC[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757098608 929637831 /nfs/dbraw/zinc/63/78/31/929637831.db2.gz OSKPDCYQIQWJJU-QUCCMNQESA-N 1 0 387.524 3.952 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C#N)c3ccc(Cl)cc3)CC2)c1 ZINC000469174105 929654632 /nfs/dbraw/zinc/65/46/32/929654632.db2.gz VTLNVFUCHIPLKW-NRFANRHFSA-N 1 0 396.922 3.542 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CC(OCc4ccccc4)C3)CC2)cc1 ZINC000545914239 929670622 /nfs/dbraw/zinc/67/06/22/929670622.db2.gz QWSFPHFXALDPNI-UHFFFAOYSA-N 1 0 375.516 3.860 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1 ZINC000469256516 929739343 /nfs/dbraw/zinc/73/93/43/929739343.db2.gz WVTLJZNCMFNTGM-OAQYLSRUSA-N 1 0 386.442 3.810 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)CC1(C#N)CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC000546059471 929814457 /nfs/dbraw/zinc/81/44/57/929814457.db2.gz LJSIEFFECHJVBP-GOSISDBHSA-N 1 0 391.581 3.899 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)COc3ccc(C#N)cc3)CCC[N@@H+]2C)cc1 ZINC000757900280 929847545 /nfs/dbraw/zinc/84/75/45/929847545.db2.gz DLGFBNUQKJZYFK-XXBNENTESA-N 1 0 394.471 3.572 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000758191750 929967719 /nfs/dbraw/zinc/96/77/19/929967719.db2.gz MVJWTIMMRPTQSA-DYESRHJHSA-N 1 0 394.515 3.825 20 30 GHEDRO Cc1ccn(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)c(=O)c1C#N ZINC000758218650 929977344 /nfs/dbraw/zinc/97/73/44/929977344.db2.gz UNRJZJYGNOXYJR-UHFFFAOYSA-N 1 0 386.293 3.808 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2Cn2cccc(C#N)c2=O)c1 ZINC000758250776 929987970 /nfs/dbraw/zinc/98/79/70/929987970.db2.gz WLZUKEKKKDFHAD-DHIUTWEWSA-N 1 0 385.467 3.917 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccc(C#N)c(C)n2)n1 ZINC000546300678 930035895 /nfs/dbraw/zinc/03/58/95/930035895.db2.gz AYHHKCZOJKXZTK-UHFFFAOYSA-N 1 0 377.448 3.699 20 30 GHEDRO COc1cc(OC)cc(N2CCC[N@H+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000758744944 930156164 /nfs/dbraw/zinc/15/61/64/930156164.db2.gz UENGQBGUJDXHNS-UHFFFAOYSA-N 1 0 395.503 3.557 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC(CC[NH2+]C)CC2)cc1OC ZINC000469849760 930204293 /nfs/dbraw/zinc/20/42/93/930204293.db2.gz BWHQXRMJIWNRDW-UHFFFAOYSA-N 1 0 397.357 3.844 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000546717225 930376919 /nfs/dbraw/zinc/37/69/19/930376919.db2.gz GLMRUEHHODXCPF-QGZVFWFLSA-N 1 0 382.430 3.643 20 30 GHEDRO CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000546762098 930412143 /nfs/dbraw/zinc/41/21/43/930412143.db2.gz LJQJMGMGZOSOKO-AVRDEDQJSA-N 1 0 376.504 3.925 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000470166485 930422856 /nfs/dbraw/zinc/42/28/56/930422856.db2.gz VODVHXBAPZWKLI-JOCHJYFZSA-N 1 0 389.499 3.884 20 30 GHEDRO COC1CCC([N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000470205720 930452108 /nfs/dbraw/zinc/45/21/08/930452108.db2.gz FKZQATMIHVFHBX-UHFFFAOYSA-N 1 0 377.916 3.785 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(C)C ZINC000470237781 930477768 /nfs/dbraw/zinc/47/77/68/930477768.db2.gz NRBGMJTUFJGKKO-UHFFFAOYSA-N 1 0 380.492 3.984 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCc2nc(C)sc21)C(C)C ZINC000780821814 930608444 /nfs/dbraw/zinc/60/84/44/930608444.db2.gz XJABNXKXRMZZTO-QZTJIDSGSA-N 1 0 376.570 3.827 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000470673712 930810841 /nfs/dbraw/zinc/81/08/41/930810841.db2.gz QGIFSRRCZPBFEB-OAQYLSRUSA-N 1 0 394.515 3.997 20 30 GHEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCC(CC#N)CC2)c1=S ZINC000781572108 930891771 /nfs/dbraw/zinc/89/17/71/930891771.db2.gz LWYZNMHZRAUESV-QGZVFWFLSA-N 1 0 378.590 3.810 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782391282 931203926 /nfs/dbraw/zinc/20/39/26/931203926.db2.gz LEBYNGHCPRRMIF-GHTZIAJQSA-N 1 0 389.421 3.909 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc2c(c1)OCO2 ZINC000557224917 931282330 /nfs/dbraw/zinc/28/23/30/931282330.db2.gz MBYGQJSVSDDSEJ-UHFFFAOYSA-N 1 0 385.851 3.791 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000783328473 931521051 /nfs/dbraw/zinc/52/10/51/931521051.db2.gz CEBDPYJEOPFWBH-QEXNXIHPSA-N 1 0 375.563 3.612 20 30 GHEDRO Cc1cc(C#N)nc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000557602421 931567799 /nfs/dbraw/zinc/56/77/99/931567799.db2.gz OMZNCUCLAIEJGO-MAUKXSAKSA-N 1 0 389.425 3.592 20 30 GHEDRO CC(C)[C@H]1OCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925221788 931707404 /nfs/dbraw/zinc/70/74/04/931707404.db2.gz PGPUHLZEQMODKW-CEXWTWQISA-N 1 0 393.572 3.957 20 30 GHEDRO C[C@H]1[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000557930777 931759474 /nfs/dbraw/zinc/75/94/74/931759474.db2.gz KHMNHLPILKVRHI-OXJNMPFZSA-N 1 0 386.455 3.606 20 30 GHEDRO Cc1ncc(CC[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000925574310 931827699 /nfs/dbraw/zinc/82/76/99/931827699.db2.gz ABNAPQLAWRDJKK-HNNXBMFYSA-N 1 0 392.569 3.903 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1OC ZINC000558152750 931860663 /nfs/dbraw/zinc/86/06/63/931860663.db2.gz PTLCDZVYCNOPCN-ZWKOTPCHSA-N 1 0 395.503 3.998 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1cccs1 ZINC000558536617 932060542 /nfs/dbraw/zinc/06/05/42/932060542.db2.gz NKOULHCERNOXBB-PXNSSMCTSA-N 1 0 394.544 3.991 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796962300 932125041 /nfs/dbraw/zinc/12/50/41/932125041.db2.gz REOFZVZKINALPX-LAUBAEHRSA-N 1 0 398.551 3.762 20 30 GHEDRO COC[C@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCCN1C(=O)OC(C)(C)C ZINC000797114128 932187795 /nfs/dbraw/zinc/18/77/95/932187795.db2.gz OSWGCCRHEZUMGK-NFBKMPQASA-N 1 0 399.535 3.941 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000797169035 932210806 /nfs/dbraw/zinc/21/08/06/932210806.db2.gz ZICNPMRSXDCMPE-WQLSENKSSA-N 1 0 378.476 3.582 20 30 GHEDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000926604154 932243863 /nfs/dbraw/zinc/24/38/63/932243863.db2.gz LVLPAEFCAPMRSS-KZNAEPCWSA-N 1 0 379.545 3.853 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000558882530 932289742 /nfs/dbraw/zinc/28/97/42/932289742.db2.gz SSMWKPFBWQZMHA-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000558984234 932355127 /nfs/dbraw/zinc/35/51/27/932355127.db2.gz RMRUETAZQPABBN-IBGZPJMESA-N 1 0 383.540 3.545 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[C@H]2CCOC2)cc1C#N ZINC000926959907 932364557 /nfs/dbraw/zinc/36/45/57/932364557.db2.gz CRFHRYLYNMMXBF-SESVDKBCSA-N 1 0 399.535 3.618 20 30 GHEDRO COc1ccc(NC(=S)NN=C2CCC([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000797786554 932406854 /nfs/dbraw/zinc/40/68/54/932406854.db2.gz BACHJDHXTUWVKO-UHFFFAOYSA-N 1 0 397.548 3.807 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000559234774 932538747 /nfs/dbraw/zinc/53/87/47/932538747.db2.gz UQOIWORUDODAHS-UHFFFAOYSA-N 1 0 392.931 3.754 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)NCCCCCCC[NH+]3CCCC3)n2)c1 ZINC000798928797 932820949 /nfs/dbraw/zinc/82/09/49/932820949.db2.gz DXUJSIPXRLQTIW-UHFFFAOYSA-N 1 0 379.508 3.520 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)ccc1C#N ZINC000799338206 932957519 /nfs/dbraw/zinc/95/75/19/932957519.db2.gz IOCSUDQIXDGNTB-UHFFFAOYSA-N 1 0 386.455 3.528 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(C)c(C#N)c2)cc1OC ZINC000799604614 933060433 /nfs/dbraw/zinc/06/04/33/933060433.db2.gz PJRNXWHTELMWNE-UHFFFAOYSA-N 1 0 395.503 3.526 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1cccnc1 ZINC000928838074 933126356 /nfs/dbraw/zinc/12/63/56/933126356.db2.gz QXTMWMBYPRXRNX-INIZCTEOSA-N 1 0 377.275 3.683 20 30 GHEDRO Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1N1CC[NH+](C)CC1 ZINC001115896971 933235189 /nfs/dbraw/zinc/23/51/89/933235189.db2.gz PRLKKYXQPKIPQN-QGZVFWFLSA-N 1 0 377.492 3.501 20 30 GHEDRO N#CCOc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC001115942026 933253459 /nfs/dbraw/zinc/25/34/59/933253459.db2.gz GNIPEYSQUNYADG-UHFFFAOYSA-N 1 0 392.503 3.761 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC001116381481 933524466 /nfs/dbraw/zinc/52/44/66/933524466.db2.gz XEPSCNNWYCZZLN-GMAHTHKFSA-N 1 0 395.478 3.808 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)c1 ZINC000929926946 933711102 /nfs/dbraw/zinc/71/11/02/933711102.db2.gz HNJPEAGILNOHMH-MSOLQXFVSA-N 1 0 395.425 3.709 20 30 GHEDRO CCOC(=O)c1cnc(N=NCC(C)(C)C[N@H+](C)Cc2ccccc2)nc1C ZINC000777891933 934008954 /nfs/dbraw/zinc/00/89/54/934008954.db2.gz XMGHWFKHQPZZBR-UHFFFAOYSA-N 1 0 383.496 3.518 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1C#N ZINC000930473705 934061980 /nfs/dbraw/zinc/06/19/80/934061980.db2.gz ARYAYPXQTQZCBK-IBGZPJMESA-N 1 0 381.480 3.555 20 30 GHEDRO Brc1cc(C=[NH+]NCC2CCOCC2)ccc1N1CCCCC1 ZINC001118025151 934080085 /nfs/dbraw/zinc/08/00/85/934080085.db2.gz MJXWUZRAPPODKH-UHFFFAOYSA-N 1 0 380.330 3.790 20 30 GHEDRO C[C@@](O)(C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)C(F)(F)C(F)(F)F ZINC000930695460 934189406 /nfs/dbraw/zinc/18/94/06/934189406.db2.gz LZBGVFZCIBFQDI-GHMZBOCLSA-N 1 0 399.322 3.616 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001119149964 934312924 /nfs/dbraw/zinc/31/29/24/934312924.db2.gz LKMZAFVVGYHHNE-UHFFFAOYSA-N 1 0 394.563 3.865 20 30 GHEDRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001120349406 934457321 /nfs/dbraw/zinc/45/73/21/934457321.db2.gz ZJHVYUYFLCMJIT-UHFFFAOYSA-N 1 0 381.476 3.903 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001121589895 934709176 /nfs/dbraw/zinc/70/91/76/934709176.db2.gz JVOPTSTYWGRMOI-NJAFHUGGSA-N 1 0 391.510 3.820 20 30 GHEDRO C=CCn1c(-c2sc(C)nc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001121606036 934712959 /nfs/dbraw/zinc/71/29/59/934712959.db2.gz RLMQUUZCHVJGFQ-FUHWJXTLSA-N 1 0 398.580 3.658 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001121671392 934733933 /nfs/dbraw/zinc/73/39/33/934733933.db2.gz RTMMKAIEJDOHSC-FYZZASKESA-N 1 0 390.535 3.753 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C[NH+]3CCC(OC)CC3)cc2)nnc1N1CCCC1 ZINC001122402480 934862676 /nfs/dbraw/zinc/86/26/76/934862676.db2.gz SMFYXXGQINAYDU-UHFFFAOYSA-N 1 0 395.551 3.732 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122532586 934891791 /nfs/dbraw/zinc/89/17/91/934891791.db2.gz CHKGEQVOUXFIQK-UHFFFAOYSA-N 1 0 384.572 3.791 20 30 GHEDRO C#CC[C@H](CC)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCOCC ZINC001122614225 934920257 /nfs/dbraw/zinc/92/02/57/934920257.db2.gz OCWOUVRACNLWMD-IBGZPJMESA-N 1 0 389.588 3.532 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2CC(C)C)C1 ZINC001122723067 934962889 /nfs/dbraw/zinc/96/28/89/934962889.db2.gz GRTQIOHEPMFMJS-AUSIDOKSSA-N 1 0 398.599 3.828 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2nnc(C(C)(C)C#N)n2Cc2cccs2)CC1 ZINC001122911103 935026612 /nfs/dbraw/zinc/02/66/12/935026612.db2.gz IVOBANKWPFPOQA-UHFFFAOYSA-N 1 0 398.580 3.644 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccs1 ZINC001123002202 935052409 /nfs/dbraw/zinc/05/24/09/935052409.db2.gz XVAWFMXQBNDUBU-UHFFFAOYSA-N 1 0 398.580 3.644 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC1CC1 ZINC001123689339 935253422 /nfs/dbraw/zinc/25/34/22/935253422.db2.gz FTAZVNCJENXVQR-UHFFFAOYSA-N 1 0 384.572 3.582 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001125053000 935517015 /nfs/dbraw/zinc/51/70/15/935517015.db2.gz QJTCTPJXFIHABS-PKTZIBPZSA-N 1 0 375.516 3.717 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc3c(C#N)c[nH]c3c2)cc1 ZINC001137627094 935642003 /nfs/dbraw/zinc/64/20/03/935642003.db2.gz GJNCFEWFXJWWHE-QFIPXVFZSA-N 1 0 388.471 3.615 20 30 GHEDRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c(C#N)c1 ZINC001137706122 935735590 /nfs/dbraw/zinc/73/55/90/935735590.db2.gz OXGXSYLNEPQCKG-ACDBMABISA-N 1 0 379.508 3.958 20 30 GHEDRO C[C@H](NC(=O)C(F)(F)c1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137854715 935827091 /nfs/dbraw/zinc/82/70/91/935827091.db2.gz DZDAUIOZUHANJG-QFBILLFUSA-N 1 0 383.442 3.677 20 30 GHEDRO CCC1(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001595378504 980914270 /nfs/dbraw/zinc/91/42/70/980914270.db2.gz CXTHWBFBDAORRE-JOCHJYFZSA-N 1 0 391.515 3.966 20 30 GHEDRO COC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000468517157 1015770292 /nfs/dbraw/zinc/77/02/92/1015770292.db2.gz KZRMLVKGHXMXJA-KRWDZBQOSA-N 1 0 377.488 3.513 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)on2)c1 ZINC000468985676 1016308967 /nfs/dbraw/zinc/30/89/67/1016308967.db2.gz MZIBDHWIOAGXTL-LJQANCHMSA-N 1 0 392.503 3.941 20 30 GHEDRO C=CCCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC001220986683 1032223963 /nfs/dbraw/zinc/22/39/63/1032223963.db2.gz IDWOQVVHZCUHQA-FGZHOGPDSA-N 1 0 386.584 3.655 20 30 GHEDRO CCCCCCCCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC001221029206 1032242892 /nfs/dbraw/zinc/24/28/92/1032242892.db2.gz GYBJCDJOLAHVNP-UHFFFAOYSA-N 1 0 380.621 3.939 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001227177403 1032309805 /nfs/dbraw/zinc/30/98/05/1032309805.db2.gz QNAXOIFTIXJLLB-IGOJGBNBSA-N 1 0 386.879 3.748 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@@H]3CCC[C@@H]([NH3+])C3)c(Cl)nn2)c1 ZINC001154989349 1032369808 /nfs/dbraw/zinc/36/98/08/1032369808.db2.gz NQDSWOAHRGAIDI-ZIAGYGMSSA-N 1 0 377.826 3.577 20 30 GHEDRO C[C@@H](NC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(C#N)cc1 ZINC001221502887 1032439164 /nfs/dbraw/zinc/43/91/64/1032439164.db2.gz VQSKOHGLPUJNSZ-XANCMCCPSA-N 1 0 388.515 3.783 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001221822918 1032544806 /nfs/dbraw/zinc/54/48/06/1032544806.db2.gz KPPRMHSGOZBPRN-GOSISDBHSA-N 1 0 378.948 3.506 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)C2)c1 ZINC001204224114 1032670459 /nfs/dbraw/zinc/67/04/59/1032670459.db2.gz QRMPXKDLKVTFQE-HSZRJFAPSA-N 1 0 397.469 3.955 20 30 GHEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 ZINC000927007693 1017338178 /nfs/dbraw/zinc/33/81/78/1017338178.db2.gz FSZYEPNNDZTEPB-DLBZAZTESA-N 1 0 380.529 3.654 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)CC1 ZINC000928659642 1017542472 /nfs/dbraw/zinc/54/24/72/1017542472.db2.gz VWBJVSOVHNVWSA-UHFFFAOYSA-N 1 0 385.558 3.571 20 30 GHEDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CC4CCC(C#N)CC4)CC3)cc2NC1=O ZINC000929965773 1017764940 /nfs/dbraw/zinc/76/49/40/1017764940.db2.gz YDPGRDRAXAHZJM-GTPINHCMSA-N 1 0 395.503 3.631 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]2c2cccc(C)c2)CC1 ZINC000561414377 1017853586 /nfs/dbraw/zinc/85/35/86/1017853586.db2.gz YYWWTKATMPOOAA-QFIPXVFZSA-N 1 0 397.563 3.595 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000562078609 1018030203 /nfs/dbraw/zinc/03/02/03/1018030203.db2.gz OVNZRGRRWVVOHE-QGZVFWFLSA-N 1 0 388.393 3.973 20 30 GHEDRO C[C@H](COCC1CCCCC1)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932425203 1018293006 /nfs/dbraw/zinc/29/30/06/1018293006.db2.gz SWVGVLSRNXVJKU-VQIMIIECSA-N 1 0 392.503 3.799 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000562710961 1018562894 /nfs/dbraw/zinc/56/28/94/1018562894.db2.gz RIVDGFHZIOZDOI-VQTJNVASSA-N 1 0 383.561 3.530 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000932698750 1018590253 /nfs/dbraw/zinc/59/02/53/1018590253.db2.gz WNJBIQOCQGZZAR-AUSIDOKSSA-N 1 0 399.535 3.664 20 30 GHEDRO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000932918664 1018752989 /nfs/dbraw/zinc/75/29/89/1018752989.db2.gz KDEOGZDFHJFZKL-WMZOPIPTSA-N 1 0 382.957 3.870 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000935492130 1019006173 /nfs/dbraw/zinc/00/61/73/1019006173.db2.gz MBKFDQXOSRPTKP-KRWDZBQOSA-N 1 0 376.504 3.988 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](C(C)(C)C)C3)sc2C1 ZINC000566079496 1019215241 /nfs/dbraw/zinc/21/52/41/1019215241.db2.gz KRXGUFQANSRSLM-KBXCAEBGSA-N 1 0 389.565 3.820 20 30 GHEDRO CC(C)(C)OC(=O)NC1CC[NH+](C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001204373168 1032815709 /nfs/dbraw/zinc/81/57/09/1032815709.db2.gz OZBUESGJKGTGKT-UHFFFAOYSA-N 1 0 398.551 3.512 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H](N3CC4(CCOCC4)[C@H]3c3ccccc3)C2=O)cc1 ZINC000572098925 1019741235 /nfs/dbraw/zinc/74/12/35/1019741235.db2.gz HHIDEIHOLSSAQY-FGZHOGPDSA-N 1 0 387.483 3.517 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1 ZINC000156858053 1019748993 /nfs/dbraw/zinc/74/89/93/1019748993.db2.gz XXHRBKPPBJRAJS-LJQANCHMSA-N 1 0 379.504 3.694 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000574663298 1019896838 /nfs/dbraw/zinc/89/68/38/1019896838.db2.gz CAFTXDMZUMCHNC-GDBMZVCRSA-N 1 0 378.423 3.546 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccccc1Cl ZINC000047011490 1019940061 /nfs/dbraw/zinc/94/00/61/1019940061.db2.gz UNJMWSOXEGKIRL-UHFFFAOYSA-N 1 0 385.895 3.571 20 30 GHEDRO Cc1cccc(Oc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000600722478 1020227181 /nfs/dbraw/zinc/22/71/81/1020227181.db2.gz QERUUGCQRIDHIY-FQEVSTJZSA-N 1 0 380.488 3.948 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[N@@H+]1C ZINC000578054722 1020313471 /nfs/dbraw/zinc/31/34/71/1020313471.db2.gz HRIPUGAODVKLPY-HXUWFJFHSA-N 1 0 379.464 3.549 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C#N)c(F)c3)cc2)C[C@H](C)O1 ZINC000579062747 1020385237 /nfs/dbraw/zinc/38/52/37/1020385237.db2.gz XQZIXJBLPIZFIQ-IYBDPMFKSA-N 1 0 396.466 3.628 20 30 GHEDRO CCOC(=O)CCc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001228408825 1032922645 /nfs/dbraw/zinc/92/26/45/1032922645.db2.gz DUBBJRZMUDVIAY-JOCHJYFZSA-N 1 0 378.472 3.707 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc4ccccc4n3)CC2)cc1 ZINC001204507067 1032938126 /nfs/dbraw/zinc/93/81/26/1032938126.db2.gz KXKHYFACUZVLBQ-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001228452186 1032942222 /nfs/dbraw/zinc/94/22/22/1032942222.db2.gz ASBIHXMJZPHKSZ-QGZVFWFLSA-N 1 0 382.533 3.959 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193795229 1020951787 /nfs/dbraw/zinc/95/17/87/1020951787.db2.gz IIQIZSJFKOUQRC-NFBKMPQASA-N 1 0 391.515 3.600 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000834505405 1021230518 /nfs/dbraw/zinc/23/05/18/1021230518.db2.gz KNCGGLWLJMPPCP-QFBILLFUSA-N 1 0 391.496 3.708 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)c(OC)c3)C[C@@H]2c2ccccc2)C1=O ZINC001204558293 1032970577 /nfs/dbraw/zinc/97/05/77/1032970577.db2.gz VUTFPBSYMGCZOU-YKSBVNFPSA-N 1 0 394.490 3.838 20 30 GHEDRO N#Cc1cc(C#N)c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001156319651 1032983169 /nfs/dbraw/zinc/98/31/69/1032983169.db2.gz ZQGIFAXIUIMUCJ-ZYSHUDEJSA-N 1 0 377.879 3.801 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001140410585 1021596192 /nfs/dbraw/zinc/59/61/92/1021596192.db2.gz TYKCVADZFVEWAV-UHFFFAOYSA-N 1 0 389.890 3.991 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001140437348 1021705474 /nfs/dbraw/zinc/70/54/74/1021705474.db2.gz GURUHVYDSNNDAK-AEFFLSMTSA-N 1 0 381.476 3.764 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@@H]21 ZINC001140441247 1021716364 /nfs/dbraw/zinc/71/63/64/1021716364.db2.gz LZMYRBMMDWTEPR-UTKZUKDTSA-N 1 0 394.519 3.822 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(F)cc(OC)c3)C2)CC1 ZINC001140477687 1021773309 /nfs/dbraw/zinc/77/33/09/1021773309.db2.gz KLCWRCCOYNYUGO-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO Cc1nc(N2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)c(Cl)cc1C#N ZINC001156472654 1033053305 /nfs/dbraw/zinc/05/33/05/1033053305.db2.gz NTZAOJGTMVKCPN-MRXNPFEDSA-N 1 0 380.996 3.786 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@H]21 ZINC001140754327 1022438612 /nfs/dbraw/zinc/43/86/12/1022438612.db2.gz VLBJQOOOCNQTBA-XTQVGHSUSA-N 1 0 396.485 3.964 20 30 GHEDRO CN(c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1)C1CC[NH+](C)CC1 ZINC000754158899 1022511930 /nfs/dbraw/zinc/51/19/30/1022511930.db2.gz VQVDYOXBJMPBHR-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)c1Cl ZINC001140812137 1022602721 /nfs/dbraw/zinc/60/27/21/1022602721.db2.gz NBNMXOAUVYMUGY-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1Cl ZINC001140814000 1022611087 /nfs/dbraw/zinc/61/10/87/1022611087.db2.gz YUKYXOTXSGTVKL-HXUWFJFHSA-N 1 0 397.906 3.947 20 30 GHEDRO C[C@H](OC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000754871631 1022942530 /nfs/dbraw/zinc/94/25/30/1022942530.db2.gz ILYFZZPDQZWJKM-JQHMZKTJSA-N 1 0 391.556 3.502 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000756046252 1023494999 /nfs/dbraw/zinc/49/49/99/1023494999.db2.gz OAUCQENNJMNCDH-IRLDBZIGSA-N 1 0 375.476 3.625 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1sc(N)c(C#N)c1Cl)[C@@H]2CC ZINC001141110057 1023523099 /nfs/dbraw/zinc/52/30/99/1023523099.db2.gz XVSBPAUOIJDJPX-BEFAXECRSA-N 1 0 392.956 3.777 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3)CC2)nc1 ZINC001204886358 1033145598 /nfs/dbraw/zinc/14/55/98/1033145598.db2.gz GLHRQTNKCCHICP-UHFFFAOYSA-N 1 0 378.373 3.823 20 30 GHEDRO COc1ccc(C(C)(C)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1OC ZINC001204881254 1033142495 /nfs/dbraw/zinc/14/24/95/1033142495.db2.gz NKFYOFSKZARXAF-UHFFFAOYSA-N 1 0 397.494 3.814 20 30 GHEDRO C#CC[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000757062424 1023923885 /nfs/dbraw/zinc/92/38/85/1023923885.db2.gz OIVMZRZNGUDEJV-GMAHTHKFSA-N 1 0 375.516 3.915 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)C1=O ZINC001141165059 1023993633 /nfs/dbraw/zinc/99/36/33/1023993633.db2.gz SGMRMWNWQSCIRO-HSZRJFAPSA-N 1 0 377.463 3.844 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)cc3C#N)C[C@@H]2c2ccccc2)C1=O ZINC001141166167 1023996397 /nfs/dbraw/zinc/99/63/97/1023996397.db2.gz XWVPJLFLMWVPPB-GGAORHGYSA-N 1 0 377.463 3.535 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001141187674 1024050502 /nfs/dbraw/zinc/05/05/02/1024050502.db2.gz AOWBMNAEJGHNNL-JTHBVZDNSA-N 1 0 379.504 3.717 20 30 GHEDRO CCc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001141224575 1024194734 /nfs/dbraw/zinc/19/47/34/1024194734.db2.gz CPTRUVPRUZADRJ-XMMPIXPASA-N 1 0 390.531 3.635 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](Oc3ccc4ccc(C#N)cc4c3)C[C@H]2C1 ZINC001228969283 1033206876 /nfs/dbraw/zinc/20/68/76/1033206876.db2.gz FMSGKCGLANXJDS-PZJWPPBQSA-N 1 0 393.487 3.784 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(N3CCCCC3)cc1)CCC2 ZINC001138216635 1024384501 /nfs/dbraw/zinc/38/45/01/1024384501.db2.gz FGEFOXHGVIOLTO-UHFFFAOYSA-N 1 0 380.536 3.982 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCCN(c4ncccn4)CC3)cc2)cc1 ZINC001141294051 1024426240 /nfs/dbraw/zinc/42/62/40/1024426240.db2.gz UHGDVJMYOVRCPR-UHFFFAOYSA-N 1 0 385.471 3.853 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C(C)=C/c2ccc(OC(F)(F)F)cc2)CC1 ZINC000837432145 1024453264 /nfs/dbraw/zinc/45/32/64/1024453264.db2.gz QGFFKANVLFKFNZ-CCEZHUSRSA-N 1 0 380.410 3.592 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3cc(C(=O)OC)ccc13)CCO2 ZINC001138265187 1024500548 /nfs/dbraw/zinc/50/05/48/1024500548.db2.gz QWVISNKUZALJHV-AUSIDOKSSA-N 1 0 398.503 3.528 20 30 GHEDRO CCCc1c(NC(=O)C2C[NH+](C3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC001138334543 1024695136 /nfs/dbraw/zinc/69/51/36/1024695136.db2.gz PESUCHCSPYGNAX-UHFFFAOYSA-N 1 0 391.519 3.899 20 30 GHEDRO C(#Cc1ccc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)cc1)c1ccccc1 ZINC001138335337 1024696849 /nfs/dbraw/zinc/69/68/49/1024696849.db2.gz NGGBLTVKABRGJY-VWLOTQADSA-N 1 0 380.495 3.731 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001138341683 1024701955 /nfs/dbraw/zinc/70/19/55/1024701955.db2.gz TYEJEANZHOMDNO-GOSISDBHSA-N 1 0 388.508 3.586 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)cc1OC ZINC001138347214 1024708928 /nfs/dbraw/zinc/70/89/28/1024708928.db2.gz UXEIYRQSMBATIY-AEFFLSMTSA-N 1 0 388.508 3.585 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)cc1OC ZINC001138348580 1024712052 /nfs/dbraw/zinc/71/20/52/1024712052.db2.gz VPETXFSODHIAAB-NRFANRHFSA-N 1 0 393.483 3.663 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)cc1OC ZINC001138349550 1024713435 /nfs/dbraw/zinc/71/34/35/1024713435.db2.gz ZZOBAEYLDQQNHP-SFHVURJKSA-N 1 0 388.508 3.586 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(C)nn(Cc3ccccc3)c1C)C2 ZINC001138503695 1024939227 /nfs/dbraw/zinc/93/92/27/1024939227.db2.gz CXOVPZXNXFYVMJ-UPVQGACJSA-N 1 0 395.547 3.874 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC001138560618 1025023130 /nfs/dbraw/zinc/02/31/30/1025023130.db2.gz CUPDVXSCVSMPBT-UHFFFAOYSA-N 1 0 396.918 3.880 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001138577395 1025055889 /nfs/dbraw/zinc/05/58/89/1025055889.db2.gz ZXDVDYUEIUOVTL-YKSBVNFPSA-N 1 0 392.547 3.711 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCOC)[C@H]2CC)c1O ZINC001138628182 1025128621 /nfs/dbraw/zinc/12/86/21/1025128621.db2.gz UPNAWTYTDABWDC-OFNKIYASSA-N 1 0 386.536 3.503 20 30 GHEDRO C=CCc1cccc(CN2CC[N@@H+]3C[C@@H](Oc4ccc(C)cc4)C[C@H]3C2)c1O ZINC001138629030 1025130349 /nfs/dbraw/zinc/13/03/49/1025130349.db2.gz LMQZRMOCKACRBV-GMAHTHKFSA-N 1 0 378.516 3.767 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001138664316 1025185719 /nfs/dbraw/zinc/18/57/19/1025185719.db2.gz MWSISWMRFGTSIJ-CVDCTZTESA-N 1 0 398.478 3.988 20 30 GHEDRO C#CC[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000838530347 1025194962 /nfs/dbraw/zinc/19/49/62/1025194962.db2.gz YRULARNWISAAAW-SFHVURJKSA-N 1 0 381.442 3.809 20 30 GHEDRO N#CCC[N@@H+](Cc1ccc(N2CCOCC2)c(Br)c1)C1CCCC1 ZINC001138678801 1025202938 /nfs/dbraw/zinc/20/29/38/1025202938.db2.gz JYCJZXLHNUUBOM-UHFFFAOYSA-N 1 0 392.341 3.944 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC001141544305 1025450953 /nfs/dbraw/zinc/45/09/53/1025450953.db2.gz MLTYNPQXYXVZIX-JOCHJYFZSA-N 1 0 375.516 3.802 20 30 GHEDRO N#Cc1c(N[C@H]2CCOc3cc(C(F)(F)F)ccc32)ncc2c1CCC[NH2+]C2 ZINC001161922758 1025497956 /nfs/dbraw/zinc/49/79/56/1025497956.db2.gz HZRDRYYVEUDZNN-KRWDZBQOSA-N 1 0 388.393 3.944 20 30 GHEDRO COc1cccc(C2(NC(F)(F)c3cc(Cl)nc(C#N)c3)CC[NH2+]CC2)c1 ZINC001161996540 1025529222 /nfs/dbraw/zinc/52/92/22/1025529222.db2.gz XATCWLZMSIKMDD-UHFFFAOYSA-N 1 0 392.837 3.533 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000839094704 1025592070 /nfs/dbraw/zinc/59/20/70/1025592070.db2.gz AKAIRRPVBTWHJV-ZWKOTPCHSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnc3[nH]ccc3c1Cl)C2 ZINC001138929785 1025596927 /nfs/dbraw/zinc/59/69/27/1025596927.db2.gz BCIHUPPZPQXDJT-FXAWDEMLSA-N 1 0 375.900 3.742 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162197870 1025664648 /nfs/dbraw/zinc/66/46/48/1025664648.db2.gz OPNSIGHGDZSVEA-MEMLXQNLSA-N 1 0 378.596 3.982 20 30 GHEDRO Cc1cc(NCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1OCC[NH+](C)C ZINC000839184631 1025697905 /nfs/dbraw/zinc/69/79/05/1025697905.db2.gz MCWUZKHCAOTRQU-UHFFFAOYSA-N 1 0 389.503 3.820 20 30 GHEDRO CCOc1ccc(CN2CCN(c3ccc(C#N)cc3F)CC2)c(OCC)c1 ZINC001138979626 1025708062 /nfs/dbraw/zinc/70/80/62/1025708062.db2.gz GNZSUMZRGZFSFZ-UHFFFAOYSA-N 1 0 383.467 3.817 20 30 GHEDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000839195077 1025715482 /nfs/dbraw/zinc/71/54/82/1025715482.db2.gz FTBHLWDMBNRNGT-BEFAXECRSA-N 1 0 388.446 3.926 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC001162450980 1025751893 /nfs/dbraw/zinc/75/18/93/1025751893.db2.gz JGPIJMIZSNKYDP-KRWDZBQOSA-N 1 0 381.561 3.569 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC001139073689 1025879252 /nfs/dbraw/zinc/87/92/52/1025879252.db2.gz PDJZABCINXQEMT-QUCCMNQESA-N 1 0 379.884 3.642 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001162744982 1025902081 /nfs/dbraw/zinc/90/20/81/1025902081.db2.gz NHAXHWAVGUJIQK-KRWDZBQOSA-N 1 0 391.862 3.684 20 30 GHEDRO Cn1ccc2c1cccc2C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001139160933 1025983259 /nfs/dbraw/zinc/98/32/59/1025983259.db2.gz OBWZJJRDGOPROE-XMMPIXPASA-N 1 0 384.483 3.679 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccc5cccnc5c4)C3)CC2=O)c1 ZINC001139170854 1025995597 /nfs/dbraw/zinc/99/55/97/1025995597.db2.gz VJMUKDQPUCTXBC-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO CCc1nnc(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c(C#N)c1CC ZINC001163029889 1026014024 /nfs/dbraw/zinc/01/40/24/1026014024.db2.gz JYQDQILMUCPYHD-NRFANRHFSA-N 1 0 375.520 3.960 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163060986 1026031013 /nfs/dbraw/zinc/03/10/13/1026031013.db2.gz QAQUZFFYSJJBRL-GFCCVEGCSA-N 1 0 393.716 3.997 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163286169 1026125419 /nfs/dbraw/zinc/12/54/19/1026125419.db2.gz ZHBWILOMVKFRMT-MEDUHNTESA-N 1 0 384.705 3.545 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000839646186 1026160566 /nfs/dbraw/zinc/16/05/66/1026160566.db2.gz YKKNTAXUHQUWMR-RTWAWAEBSA-N 1 0 399.535 3.843 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 ZINC000839662818 1026182582 /nfs/dbraw/zinc/18/25/82/1026182582.db2.gz KNRYGKXGKKPLKM-LJQANCHMSA-N 1 0 393.572 3.617 20 30 GHEDRO C#CC[N@H+](C)CCCNc1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC001163410687 1026185027 /nfs/dbraw/zinc/18/50/27/1026185027.db2.gz AUQNNIWQUZXITR-UHFFFAOYSA-N 1 0 377.517 3.609 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH+]3CCC(c4cccc(C#N)c4)CC3)cn2)C[C@H](C)O1 ZINC001139381340 1026250179 /nfs/dbraw/zinc/25/01/79/1026250179.db2.gz PEKJBPIQHBYVIF-KDURUIRLSA-N 1 0 390.531 3.946 20 30 GHEDRO C[N@@H+]1CCN(c2ccc([C@@H](C#N)c3ccccc3F)nn2)[C@H](c2ccccc2)C1 ZINC001163671302 1026275213 /nfs/dbraw/zinc/27/52/13/1026275213.db2.gz BNHCLLKZHHRSCQ-UGKGYDQZSA-N 1 0 387.462 3.764 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CCC[C@]12CCC(=O)N2C ZINC001139403842 1026276422 /nfs/dbraw/zinc/27/64/22/1026276422.db2.gz IGGIDJCNVDIWFX-UPVQGACJSA-N 1 0 388.515 3.986 20 30 GHEDRO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405041 1026277743 /nfs/dbraw/zinc/27/77/43/1026277743.db2.gz GEHOZSNGXYCCIF-UHFFFAOYSA-N 1 0 392.503 3.967 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)Cc2ccccc21 ZINC001139406040 1026279222 /nfs/dbraw/zinc/27/92/22/1026279222.db2.gz KIISOUDUNHHABM-JOCHJYFZSA-N 1 0 383.451 3.893 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCCCC4)C3)cc2)c1 ZINC001139407227 1026280659 /nfs/dbraw/zinc/28/06/59/1026280659.db2.gz VJLNEPJTRLCBLO-JOCHJYFZSA-N 1 0 388.515 3.845 20 30 GHEDRO CC[N@@H+]1CCCN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)CC1 ZINC001163773635 1026312651 /nfs/dbraw/zinc/31/26/51/1026312651.db2.gz VXTNWLNHBONKQF-UHFFFAOYSA-N 1 0 391.853 3.746 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)cc1F ZINC001139526772 1026385440 /nfs/dbraw/zinc/38/54/40/1026385440.db2.gz GTYACUCCEUOGGI-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139531244 1026389069 /nfs/dbraw/zinc/38/90/69/1026389069.db2.gz SDZWKAFRZZEANZ-SFHVURJKSA-N 1 0 391.487 3.545 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cnc1Cl ZINC001139543577 1026407136 /nfs/dbraw/zinc/40/71/36/1026407136.db2.gz DOVVQISWKUYACA-NRFANRHFSA-N 1 0 380.879 3.544 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(Cl)n3)C[C@@H]2c2ccccc2)C1=O ZINC001139549352 1026413382 /nfs/dbraw/zinc/41/33/82/1026413382.db2.gz LZNPAUAUAAZGTC-KNQAVFIVSA-N 1 0 381.907 3.739 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3ccc(C#N)c4[nH]ccc43)CC2)cc1 ZINC001164334121 1026489662 /nfs/dbraw/zinc/48/96/62/1026489662.db2.gz NNVUPHGBKOAVKI-UHFFFAOYSA-N 1 0 389.503 3.672 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001164400757 1026507479 /nfs/dbraw/zinc/50/74/79/1026507479.db2.gz LFUKQLWACKNGGP-OAHLLOKOSA-N 1 0 377.673 3.520 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001139689610 1026540782 /nfs/dbraw/zinc/54/07/82/1026540782.db2.gz QZBVFTPSUPSCIT-LAUBAEHRSA-N 1 0 383.879 3.809 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4C#N)CC[N@@H+]3C2)cc1 ZINC001139690821 1026543514 /nfs/dbraw/zinc/54/35/14/1026543514.db2.gz LDGRMFQDTFXQBJ-AZUAARDMSA-N 1 0 381.907 3.858 20 30 GHEDRO N#Cc1cccc2c(CN3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c[nH]c21 ZINC001139705052 1026549998 /nfs/dbraw/zinc/54/99/98/1026549998.db2.gz KTCPECFAROHWKM-FPOVZHCZSA-N 1 0 390.462 3.516 20 30 GHEDRO Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001139713329 1026558139 /nfs/dbraw/zinc/55/81/39/1026558139.db2.gz DIZRGPLHQQKXCV-HSZRJFAPSA-N 1 0 375.472 3.510 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)cc1C#N ZINC001139724347 1026567815 /nfs/dbraw/zinc/56/78/15/1026567815.db2.gz PPLBQHBRSJTBSP-QFIPXVFZSA-N 1 0 391.515 3.959 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)cc1C#N ZINC001139725506 1026569032 /nfs/dbraw/zinc/56/90/32/1026569032.db2.gz RSAPPYNAXSIOBP-LJQANCHMSA-N 1 0 381.451 3.603 20 30 GHEDRO Cc1ccc2nc(N3CCC(C)([NH+]4CCOCC4)CC3)c(C#N)c(Cl)c2c1 ZINC001165136079 1026628091 /nfs/dbraw/zinc/62/80/91/1026628091.db2.gz JWWRATPFOVJZFK-UHFFFAOYSA-N 1 0 384.911 3.759 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001139869209 1026683418 /nfs/dbraw/zinc/68/34/18/1026683418.db2.gz ASDBGHFQOXUZMI-KRWDZBQOSA-N 1 0 383.577 3.528 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@H]2CF)CC1 ZINC001139877446 1026693040 /nfs/dbraw/zinc/69/30/40/1026693040.db2.gz KHNBKDWDAKCKAL-AEFFLSMTSA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165433747 1026727375 /nfs/dbraw/zinc/72/73/75/1026727375.db2.gz KHZCQLHISPURNN-JOYOIKCWSA-N 1 0 380.801 3.551 20 30 GHEDRO N#Cc1cnc(Cl)cc1N(c1cccc(F)c1)[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001165476889 1026738217 /nfs/dbraw/zinc/73/82/17/1026738217.db2.gz CFNKACPBLHQLJT-YLJYHZDGSA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1c(Cl)ccnc1N(c1cccc(F)c1)[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001165479644 1026741926 /nfs/dbraw/zinc/74/19/26/1026741926.db2.gz MSBIFADHSYHRNW-OXQOHEQNSA-N 1 0 386.858 3.795 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(Br)cnc1F)CC2 ZINC001140006068 1026792622 /nfs/dbraw/zinc/79/26/22/1026792622.db2.gz OIFXFVFCUDMQJP-GOSISDBHSA-N 1 0 396.304 3.516 20 30 GHEDRO Cc1cccc(N(c2ncc3c(c2C#N)CCCC3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165767266 1026827124 /nfs/dbraw/zinc/82/71/24/1026827124.db2.gz QODJXRBSZVUJAV-RDPSFJRHSA-N 1 0 388.515 3.800 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001165911478 1026867588 /nfs/dbraw/zinc/86/75/88/1026867588.db2.gz WIDGMTMCSVONDB-UHFFFAOYSA-N 1 0 391.306 3.509 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(CCN(c5ccsc5)C4=O)C3)c2c1 ZINC001140113105 1026893573 /nfs/dbraw/zinc/89/35/73/1026893573.db2.gz SOJUTMWZMJQBAF-NRFANRHFSA-N 1 0 376.485 3.730 20 30 GHEDRO N#Cc1ccc2[nH]cc(CN3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001140114580 1026896990 /nfs/dbraw/zinc/89/69/90/1026896990.db2.gz XJHUNYHDGUJHQO-TZIWHRDSSA-N 1 0 390.462 3.516 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC(c4nc(-c5cccnc5)no4)CC3)c2c1 ZINC001140114512 1026897226 /nfs/dbraw/zinc/89/72/26/1026897226.db2.gz SIFHXFWTSQCGNV-UHFFFAOYSA-N 1 0 384.443 3.864 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c(F)c1 ZINC001140138035 1026912186 /nfs/dbraw/zinc/91/21/86/1026912186.db2.gz DFRSUKSTVFCJEE-DHIUTWEWSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1cnc(Cl)nc1N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001166495241 1027014224 /nfs/dbraw/zinc/01/42/24/1027014224.db2.gz IPWROLIUWMDDEQ-UHFFFAOYSA-N 1 0 376.807 3.513 20 30 GHEDRO N#Cc1ccc(CC2CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)cc1 ZINC001166767939 1027078828 /nfs/dbraw/zinc/07/88/28/1027078828.db2.gz JEKUULQYATUWRK-UHFFFAOYSA-N 1 0 390.531 3.791 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001166902138 1027142684 /nfs/dbraw/zinc/14/26/84/1027142684.db2.gz FHXOTVMYYJYLPD-MRXNPFEDSA-N 1 0 383.883 3.762 20 30 GHEDRO C#CCCCCCC[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC001167007843 1027192853 /nfs/dbraw/zinc/19/28/53/1027192853.db2.gz VOXNPEDLALFKGP-FQEVSTJZSA-N 1 0 376.928 3.755 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1=S ZINC000840152733 1027285234 /nfs/dbraw/zinc/28/52/34/1027285234.db2.gz IGSDLFCKJFGMLA-SFHVURJKSA-N 1 0 385.581 3.948 20 30 GHEDRO C#Cc1ccc(Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)cc1 ZINC001210119267 1027345372 /nfs/dbraw/zinc/34/53/72/1027345372.db2.gz FOBDYJBONRZLRC-UHFFFAOYSA-N 1 0 383.451 3.722 20 30 GHEDRO CCOC(=O)C1CC[NH+](Cc2cccc(Nc3cnc(C#N)c(C)c3)c2)CC1 ZINC001210209812 1027385591 /nfs/dbraw/zinc/38/55/91/1027385591.db2.gz YJXPCXAQMHAEIO-UHFFFAOYSA-N 1 0 378.476 3.780 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3ccc(O)c(C#N)c3)cn2)C1 ZINC001210531282 1027545980 /nfs/dbraw/zinc/54/59/80/1027545980.db2.gz WJIRQUJURAXYOK-QGZVFWFLSA-N 1 0 395.463 3.506 20 30 GHEDRO COc1ccc(CN2CC[C@]3(CCC[N@H+](Cc4cccc(C#N)c4)C3)C2=O)cc1 ZINC001203756574 1027580488 /nfs/dbraw/zinc/58/04/88/1027580488.db2.gz AISWIVVTWWMPFE-DEOSSOPVSA-N 1 0 389.499 3.582 20 30 GHEDRO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4cccc(C#N)c4)C[C@H]2C3)c1 ZINC001203758354 1027582331 /nfs/dbraw/zinc/58/23/31/1027582331.db2.gz WYFGYEMHTSJMDE-CTNGQTDRSA-N 1 0 384.483 3.739 20 30 GHEDRO CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203764360 1027585949 /nfs/dbraw/zinc/58/59/49/1027585949.db2.gz CFYGKPDQCJWVTL-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)cc1C#N ZINC001203848646 1027654160 /nfs/dbraw/zinc/65/41/60/1027654160.db2.gz XNMLGPANJPMWHQ-TZIWHRDSSA-N 1 0 393.487 3.847 20 30 GHEDRO CSc1nc(C[N@H+](C)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141944090 1027720954 /nfs/dbraw/zinc/72/09/54/1027720954.db2.gz XHXGXWDYTSVSJN-JCNLHEQBSA-N 1 0 390.553 3.943 20 30 GHEDRO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCN(CC(F)F)C2=O)CC1 ZINC001276439046 1027853191 /nfs/dbraw/zinc/85/31/91/1027853191.db2.gz SOFQDLUYFJPKKZ-IBGZPJMESA-N 1 0 381.854 3.681 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1ccc(Nc2cc(C#N)cc([N+](=O)[O-])c2)cc1 ZINC001211329914 1027910164 /nfs/dbraw/zinc/91/01/64/1027910164.db2.gz GYCIFECUOWYKGL-UHFFFAOYSA-N 1 0 382.420 3.709 20 30 GHEDRO Cc1cc(-c2noc([C@@H](c3cccc(Cl)c3)N3CC[NH2+]CC3)n2)ccc1C#N ZINC001211377556 1027930315 /nfs/dbraw/zinc/93/03/15/1027930315.db2.gz KPCCDVNONQWJEB-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO C=CCOc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC001461428144 1069544454 /nfs/dbraw/zinc/54/44/54/1069544454.db2.gz KJIRTYFGVWMHCN-SFHVURJKSA-N 1 0 390.321 3.955 20 30 GHEDRO C=CCOc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC001461428141 1069544546 /nfs/dbraw/zinc/54/45/46/1069544546.db2.gz KJIRTYFGVWMHCN-GOSISDBHSA-N 1 0 390.321 3.955 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@H](C)[C@H](C)[C@H]2C)c1=S ZINC000841693197 1028846192 /nfs/dbraw/zinc/84/61/92/1028846192.db2.gz TXUIBFCQEISHJY-OKZBNKHCSA-N 1 0 377.602 3.562 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC4(CC[NH2+]CC4)CC3)c2)s1 ZINC000841830055 1028970986 /nfs/dbraw/zinc/97/09/86/1028970986.db2.gz CYVCRHADDXMMIS-UHFFFAOYSA-N 1 0 394.544 3.962 20 30 GHEDRO C#CCC1(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)CCCCC1 ZINC001215486024 1029237734 /nfs/dbraw/zinc/23/77/34/1029237734.db2.gz FMGQOGBUBLHNLV-UHFFFAOYSA-N 1 0 398.551 3.685 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2ccc(I)c(F)c2C#N)c1F ZINC001216226568 1029575048 /nfs/dbraw/zinc/57/50/48/1029575048.db2.gz RIAOFIXBAGLKFN-UHFFFAOYSA-N 1 0 399.182 3.904 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)[C@H]2CC ZINC001142916043 1029688705 /nfs/dbraw/zinc/68/87/05/1029688705.db2.gz MHIWRNOKSZULRT-GMAHTHKFSA-N 1 0 376.504 3.961 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CCC[C@]4(CCC(=O)N4Cc4ccncc4)C3)c[nH]c2c1 ZINC001142917139 1029690454 /nfs/dbraw/zinc/69/04/54/1029690454.db2.gz UAHMETXBIJYQGC-DEOSSOPVSA-N 1 0 399.498 3.592 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142922492 1029698298 /nfs/dbraw/zinc/69/82/98/1029698298.db2.gz JSYXODSTRMOKAS-UHFFFAOYSA-N 1 0 386.455 3.963 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4c[nH]c5cc(C#N)ccc45)CC[N@@H+]3C2)cc1 ZINC001142928926 1029710984 /nfs/dbraw/zinc/71/09/84/1029710984.db2.gz OHODMRZHMSJORC-UNMCSNQZSA-N 1 0 386.499 3.686 20 30 GHEDRO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)c1 ZINC001142931625 1029712888 /nfs/dbraw/zinc/71/28/88/1029712888.db2.gz SNJHWDBJWGRWEH-UHFFFAOYSA-N 1 0 393.512 3.823 20 30 GHEDRO CCN(CC)c1ccc(C=[NH+][C@H](C)c2ccc(N3CCNC3=O)cc2)c(O)c1 ZINC000843265638 1029874968 /nfs/dbraw/zinc/87/49/68/1029874968.db2.gz HNFBIUCQRHUALJ-OYJNRBEISA-N 1 0 380.492 3.948 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)c1F ZINC001143167039 1029878131 /nfs/dbraw/zinc/87/81/31/1029878131.db2.gz PXWLBQVWROUPET-UHFFFAOYSA-N 1 0 387.474 3.841 20 30 GHEDRO C[C@@H]1CN(Cc2cc(F)cc(OC(F)(F)F)c2)CC[C@@]1(O)C(F)(F)F ZINC001143256684 1029952400 /nfs/dbraw/zinc/95/24/00/1029952400.db2.gz RBATZQNSYFEVFS-RNCFNFMXSA-N 1 0 375.284 3.860 20 30 GHEDRO C=CC[C@H]1N(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCCC1(C)C ZINC001222146159 1029977298 /nfs/dbraw/zinc/97/72/98/1029977298.db2.gz USLNAGZQCUCQQY-JOCHJYFZSA-N 1 0 398.595 3.975 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001222150748 1029978998 /nfs/dbraw/zinc/97/89/98/1029978998.db2.gz CYSGUYCJLPETAX-UNMCSNQZSA-N 1 0 384.568 3.633 20 30 GHEDRO CC(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C(=O)OC(C)(C)C ZINC001461608688 1069639140 /nfs/dbraw/zinc/63/91/40/1069639140.db2.gz BFRUPTXLHLASGS-IBGZPJMESA-N 1 0 397.523 3.562 20 30 GHEDRO CCCCOc1ccc(-c2nnc(C[C@@H]([NH3+])Cc3ccccc3C#N)o2)cc1 ZINC001217715378 1030623633 /nfs/dbraw/zinc/62/36/33/1030623633.db2.gz XWFAKCMXDUCLRY-IBGZPJMESA-N 1 0 376.460 3.900 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217949955 1030682433 /nfs/dbraw/zinc/68/24/33/1030682433.db2.gz MUUMNPLPNQXQNR-UXHICEINSA-N 1 0 393.462 3.583 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CCC[NH2+]CC2)c1 ZINC001218000163 1030715510 /nfs/dbraw/zinc/71/55/10/1030715510.db2.gz OEFVYYANMNYIDE-GOSISDBHSA-N 1 0 379.456 3.920 20 30 GHEDRO COc1ccc(/C=C\C(=O)c2ccccc2O[C@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001218100903 1030772941 /nfs/dbraw/zinc/77/29/41/1030772941.db2.gz ZAWUKBYGWRGDEN-IBWPDUFMSA-N 1 0 381.497 3.818 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218186105 1030811757 /nfs/dbraw/zinc/81/17/57/1030811757.db2.gz LRRGZRJSAFOMSK-GXNYCGCJSA-N 1 0 377.488 3.592 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1 ZINC001218200798 1030823830 /nfs/dbraw/zinc/82/38/30/1030823830.db2.gz IYPGROXGMJJSTQ-CVDCTZTESA-N 1 0 386.451 3.768 20 30 GHEDRO COc1ccc2c(O[C@H]3C[NH2+]C[C@@H]3C#N)cc(-c3ccc(F)cc3)nc2c1OC ZINC001218199559 1030824106 /nfs/dbraw/zinc/82/41/06/1030824106.db2.gz FWPMGMVMMHUISS-XOBRGWDASA-N 1 0 393.418 3.548 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1c(Br)ccc(OCc2ccccc2)c1F ZINC001218199297 1030824315 /nfs/dbraw/zinc/82/43/15/1030824315.db2.gz DAWIRWMDOVVCKV-XJKSGUPXSA-N 1 0 391.240 3.658 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)cc2oc(-c3ccc(OC)cc3)cc(=O)c12 ZINC001218208968 1030830268 /nfs/dbraw/zinc/83/02/68/1030830268.db2.gz RXFDLBPBCCBTOF-QFIPXVFZSA-N 1 0 393.439 3.774 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)ccc1C ZINC001151292850 1030849693 /nfs/dbraw/zinc/84/96/93/1030849693.db2.gz RXOZBOTZQWKFHY-FQEVSTJZSA-N 1 0 377.488 3.699 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1C[C@@H]2CC[NH2+][C@H]2C1 ZINC001218249628 1030852416 /nfs/dbraw/zinc/85/24/16/1030852416.db2.gz SWZRBJWFGCESAZ-CDXJDZJCSA-N 1 0 387.483 3.634 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224170642 1030910637 /nfs/dbraw/zinc/91/06/37/1030910637.db2.gz OHEBSZSWYBWTEA-LJQANCHMSA-N 1 0 384.863 3.789 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001218401905 1030920916 /nfs/dbraw/zinc/92/09/16/1030920916.db2.gz SHDWBOREAHVUKK-OYYUKBSXSA-N 1 0 383.444 3.522 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(O)c1 ZINC001218445282 1030938666 /nfs/dbraw/zinc/93/86/66/1030938666.db2.gz WBNMDHVNOXTYHY-OGWOLHLISA-N 1 0 377.481 3.744 20 30 GHEDRO COc1cc(O)cc(O[C@H]2C[NH2+]CCC2(F)F)c1C(=O)/C=C/c1ccccc1 ZINC001218454772 1030943198 /nfs/dbraw/zinc/94/31/98/1030943198.db2.gz SRLKJDGMUNYYGS-UCFODXPJSA-N 1 0 389.398 3.673 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001218541202 1030979301 /nfs/dbraw/zinc/97/93/01/1030979301.db2.gz IEJUJDKHQQKHLL-FUHWJXTLSA-N 1 0 398.507 3.581 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(cc(C)c(=O)n2C)c1)C(C)C ZINC001218640300 1031015557 /nfs/dbraw/zinc/01/55/57/1031015557.db2.gz QWFSDAWNPLLCQF-NRFANRHFSA-N 1 0 396.535 3.667 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc2nc(-c3ccccc3F)nn2c1 ZINC001218793328 1031081516 /nfs/dbraw/zinc/08/15/16/1031081516.db2.gz FCRNTEJNNYBZMC-SFHVURJKSA-N 1 0 381.455 3.938 20 30 GHEDRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1c(C#N)cccc1C(F)(F)F ZINC001218952041 1031172023 /nfs/dbraw/zinc/17/20/23/1031172023.db2.gz XZAOKPWLFCIOQJ-HNNXBMFYSA-N 1 0 381.785 4.000 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001152417637 1031230231 /nfs/dbraw/zinc/23/02/31/1031230231.db2.gz AUIKIBJYZOYVED-FQEVSTJZSA-N 1 0 386.417 3.756 20 30 GHEDRO N#CC1CC(O[C@@H]2C[N@H+](Cc3ccccc3)C3(C2)CCC2(CC3)OCCO2)C1 ZINC001225174277 1031296365 /nfs/dbraw/zinc/29/63/65/1031296365.db2.gz NBDVEPJIRWNPCP-CBNMVNINSA-N 1 0 382.504 3.636 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219310520 1031351036 /nfs/dbraw/zinc/35/10/36/1031351036.db2.gz HRNRCJQFEQOBQB-KRWDZBQOSA-N 1 0 388.584 3.693 20 30 GHEDRO Cc1cc(O)cc(O[C@@H]2CCN(Cc3ccccc3C#N)C2)c1Br ZINC001225386510 1031375063 /nfs/dbraw/zinc/37/50/63/1031375063.db2.gz YMNHGERELJJYIR-QGZVFWFLSA-N 1 0 387.277 3.988 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N(C)C1CC[NH+](C)CC1 ZINC001219368172 1031381920 /nfs/dbraw/zinc/38/19/20/1031381920.db2.gz IEBBLFDXEKORIP-UHFFFAOYSA-N 1 0 379.464 3.612 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219482680 1031448951 /nfs/dbraw/zinc/44/89/51/1031448951.db2.gz HVULHVBYHIQDQY-OXQOHEQNSA-N 1 0 390.987 3.666 20 30 GHEDRO N#Cc1cccc(C[C@H]([NH3+])C(=O)NCCc2cccc(Oc3ccccc3)c2)c1 ZINC001219906952 1031685026 /nfs/dbraw/zinc/68/50/26/1031685026.db2.gz YDBDTSYUDAPYPX-QHCPKHFHSA-N 1 0 385.467 3.579 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C(F)(F)F)c1 ZINC001219911311 1031689207 /nfs/dbraw/zinc/68/92/07/1031689207.db2.gz CWCMBFOQAXDZQU-FUHWJXTLSA-N 1 0 394.441 3.868 20 30 GHEDRO N#CC1(NC(=O)c2ccnc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001153720450 1031720913 /nfs/dbraw/zinc/72/09/13/1031720913.db2.gz CDKLVTDDWYDCSC-UHFFFAOYSA-N 1 0 388.446 3.662 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(-c3csc(N)n3)cc2)C1 ZINC001226025967 1031747453 /nfs/dbraw/zinc/74/74/53/1031747453.db2.gz HGJAVRDJQLLUQR-LJQANCHMSA-N 1 0 376.485 3.917 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)cc2n1 ZINC001220157788 1031807026 /nfs/dbraw/zinc/80/70/26/1031807026.db2.gz VWEDKPRWKNCOEE-HXUWFJFHSA-N 1 0 375.476 3.618 20 30 GHEDRO Cc1cccc2c1C1(C[C@H]2CC(=O)NC2=CC(=O)CC(C)(C)C2)CC[NH2+]CC1 ZINC001220413399 1031931198 /nfs/dbraw/zinc/93/11/98/1031931198.db2.gz HWLQYAZXEMNUHF-QGZVFWFLSA-N 1 0 380.532 3.883 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)NCC2(C#N)CCCCC2)cc1 ZINC001220515432 1031973481 /nfs/dbraw/zinc/97/34/81/1031973481.db2.gz CFZRCHCSXZMKNJ-UHFFFAOYSA-N 1 0 386.540 3.680 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC001220521030 1031974550 /nfs/dbraw/zinc/97/45/50/1031974550.db2.gz OHLIJMCZMXAQNT-OFNKIYASSA-N 1 0 398.595 3.758 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC001226503646 1031989312 /nfs/dbraw/zinc/98/93/12/1031989312.db2.gz OEYPNPVZMRLTPO-GOSISDBHSA-O 1 0 379.436 3.533 20 30 GHEDRO C=CCSc1ncccc1C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220613973 1032012826 /nfs/dbraw/zinc/01/28/26/1032012826.db2.gz UDFBBIUENAMFQO-HNNXBMFYSA-N 1 0 392.322 3.552 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001229211489 1033347428 /nfs/dbraw/zinc/34/74/28/1033347428.db2.gz BZUBGTCUCYQDFE-NBZOHKLQSA-N 1 0 381.428 3.577 20 30 GHEDRO N#Cc1ccc(Br)c(OC[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001229230822 1033355698 /nfs/dbraw/zinc/35/56/98/1033355698.db2.gz QKVVRTDAVZAEAE-KRWDZBQOSA-N 1 0 387.277 3.601 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC001229291550 1033394459 /nfs/dbraw/zinc/39/44/59/1033394459.db2.gz GMOLTVCAOFGDFG-HYBUGGRVSA-N 1 0 389.543 3.730 20 30 GHEDRO CCn1c(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc(C)c(C#N)c1=O ZINC001229322266 1033414279 /nfs/dbraw/zinc/41/42/79/1033414279.db2.gz DOHFYBSZOAHMCF-UHFFFAOYSA-N 1 0 399.494 3.901 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)ccc1F ZINC001205473323 1033428592 /nfs/dbraw/zinc/42/85/92/1033428592.db2.gz UZVFFGHFDOYMGV-HSZRJFAPSA-N 1 0 395.453 3.851 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc(C#C[Si](C)(C)C)ccn1 ZINC001157173344 1033448258 /nfs/dbraw/zinc/44/82/58/1033448258.db2.gz UEXKJFZTQFRTBG-KRWDZBQOSA-N 1 0 375.589 3.562 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-n3cc(CC[NH3+])c4cc(O)ccc43)nn2)cc1 ZINC001157214976 1033475899 /nfs/dbraw/zinc/47/58/99/1033475899.db2.gz FRVPJNONUMABPR-HXUWFJFHSA-N 1 0 383.455 3.591 20 30 GHEDRO N#CC1(c2ccc(N(c3ncnc4ccccc43)C3CC[NH2+]CC3)nc2)CCC1 ZINC001157319085 1033531520 /nfs/dbraw/zinc/53/15/20/1033531520.db2.gz HKZBDGRVCKWHFZ-UHFFFAOYSA-N 1 0 384.487 3.860 20 30 GHEDRO C[NH+](C)C1CCC(Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001229587197 1033575152 /nfs/dbraw/zinc/57/51/52/1033575152.db2.gz SYWFJCMBUWTOBA-QDEBKDIKSA-N 1 0 397.471 3.951 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CCCC[C@]34CCC[NH2+]C4)nc2)cc1 ZINC001157472666 1033608596 /nfs/dbraw/zinc/60/85/96/1033608596.db2.gz GNJLGWMYFFMBLO-HSZRJFAPSA-N 1 0 376.504 3.839 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001157527112 1033640961 /nfs/dbraw/zinc/64/09/61/1033640961.db2.gz AVRSGXHJGFHYDE-ZEWVGQQJSA-N 1 0 388.511 3.859 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1OC ZINC001157528158 1033642520 /nfs/dbraw/zinc/64/25/20/1033642520.db2.gz RFJGSXJOKDLUTA-ACCUITESSA-N 1 0 392.499 3.616 20 30 GHEDRO Cc1nc(OC2CC[NH+](C(C)C)CC2)c(C#N)cc1-c1ccc2nccn2c1 ZINC001229767403 1033699456 /nfs/dbraw/zinc/69/94/56/1033699456.db2.gz BMBBOPJSMOFUIZ-UHFFFAOYSA-N 1 0 375.476 3.828 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(c2ccc([C@@H](C#N)c3ccccc3F)nn2)CC1 ZINC001157659117 1033709001 /nfs/dbraw/zinc/70/90/01/1033709001.db2.gz DQNBEFJOGCTYIW-SFHVURJKSA-N 1 0 379.483 3.726 20 30 GHEDRO C[C@@H]1[C@@H]([NH3+])CCCN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001157749112 1033751850 /nfs/dbraw/zinc/75/18/50/1033751850.db2.gz XVKPEKUUQBRRGL-ABAIWWIYSA-N 1 0 377.826 3.530 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001157767590 1033761529 /nfs/dbraw/zinc/76/15/29/1033761529.db2.gz YWBOZDQUDFVPTK-KRWDZBQOSA-N 1 0 391.862 3.945 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(-c2ccncc2)ccc1C#N ZINC001158297752 1034011401 /nfs/dbraw/zinc/01/14/01/1034011401.db2.gz RHWHVXKZBKUGOZ-UHFFFAOYSA-N 1 0 383.455 3.777 20 30 GHEDRO C#C[C@H](NC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001230477883 1034080445 /nfs/dbraw/zinc/08/04/45/1034080445.db2.gz BGUVLKMVKRAHAA-VXKWHMMOSA-N 1 0 379.479 3.806 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N ZINC001207104544 1034095808 /nfs/dbraw/zinc/09/58/08/1034095808.db2.gz UECIOXACESOUAJ-RBUKOAKNSA-N 1 0 386.540 3.756 20 30 GHEDRO COc1cc(/C=C/c2ccc(O)c(O[C@H](CC#N)C[N+](C)(C)C)c2)cc(OC)c1 ZINC001230670138 1034169735 /nfs/dbraw/zinc/16/97/35/1034169735.db2.gz QLWXPDKWYUNPAN-OVKVCFKUSA-O 1 0 397.495 3.947 20 30 GHEDRO C=CCN(CC[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001207203982 1034172475 /nfs/dbraw/zinc/17/24/75/1034172475.db2.gz XNCQTYJRBCXVKR-KRWDZBQOSA-N 1 0 397.560 3.646 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001207214721 1034182085 /nfs/dbraw/zinc/18/20/85/1034182085.db2.gz PLKGTGPNUJTYEF-AZUAARDMSA-N 1 0 385.508 3.658 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(CC[NH+]3CCN(c4ccccc4C#N)CC3)(C1)C2 ZINC001207224732 1034191947 /nfs/dbraw/zinc/19/19/47/1034191947.db2.gz ZPPRFRMKNQUMJI-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC[C@]3(CCc4c3cccc4F)C1)C[NH2+]CCC2 ZINC001158844575 1034297932 /nfs/dbraw/zinc/29/79/32/1034297932.db2.gz YCTOTFPRHMASDR-QHCPKHFHSA-N 1 0 376.479 3.613 20 30 GHEDRO COC(=O)C[C@@H](C#N)c1ccc(O[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001230994488 1034332178 /nfs/dbraw/zinc/33/21/78/1034332178.db2.gz HTWNMTAGQZIIGH-XJABCFGWSA-N 1 0 378.472 3.756 20 30 GHEDRO C=CCOC[C@@H]1C[N@H+](CCCCc2ccccc2)Cc2nnn(CC3CC3)c21 ZINC001207612269 1034488281 /nfs/dbraw/zinc/48/82/81/1034488281.db2.gz SRTFMFAQRXNCPG-NRFANRHFSA-N 1 0 380.536 3.813 20 30 GHEDRO N#Cc1cnn(-c2ccc(Cl)cc2)c1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159267940 1034513115 /nfs/dbraw/zinc/51/31/15/1034513115.db2.gz HNGAQLQYHBOCMO-UHFFFAOYSA-N 1 0 378.867 3.551 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[NH+]3CCC(C#N)(c4ccccc4F)CC3)[C@H]2C1 ZINC001207788737 1034576393 /nfs/dbraw/zinc/57/63/93/1034576393.db2.gz KNQICAGJOUOUCY-NNZMDNLPSA-N 1 0 399.510 3.796 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231469341 1034614165 /nfs/dbraw/zinc/61/41/65/1034614165.db2.gz KWQXQVVYYAMYRQ-HXUWFJFHSA-N 1 0 396.487 3.848 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(C)c2CCN1CCCc1cccc(C(F)(F)F)c1 ZINC001207841608 1034616694 /nfs/dbraw/zinc/61/66/94/1034616694.db2.gz FJLVMDCENSSLAI-GOSISDBHSA-N 1 0 394.441 3.569 20 30 GHEDRO Cc1cc(C#N)cc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC001159518922 1034634875 /nfs/dbraw/zinc/63/48/75/1034634875.db2.gz ARTJPRPMTFXPJK-QHCPKHFHSA-N 1 0 386.499 3.737 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001207899000 1034643189 /nfs/dbraw/zinc/64/31/89/1034643189.db2.gz JFDUOQVIWMZNKI-PCCBWWKXSA-N 1 0 379.589 3.901 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)CC2 ZINC001231522718 1034672890 /nfs/dbraw/zinc/67/28/90/1034672890.db2.gz SAMGRNDBKIXKIF-LJQANCHMSA-N 1 0 382.426 3.944 20 30 GHEDRO COC(=O)c1cc(C(F)(F)F)ccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159591256 1034681821 /nfs/dbraw/zinc/68/18/21/1034681821.db2.gz HISCUEYZTMNQOK-UHFFFAOYSA-N 1 0 375.350 3.794 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001159679710 1034712282 /nfs/dbraw/zinc/71/22/82/1034712282.db2.gz VQHPVSFAPGVJEH-UHFFFAOYSA-N 1 0 388.533 3.870 20 30 GHEDRO C(#Cc1ccccc1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1)c1ccccc1 ZINC001231576493 1034726729 /nfs/dbraw/zinc/72/67/29/1034726729.db2.gz AHHGUVGOTRXRJP-JWQCQUIFSA-N 1 0 394.522 3.835 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cnccn2)CC3)CC1 ZINC001208169964 1034769284 /nfs/dbraw/zinc/76/92/84/1034769284.db2.gz BCCPYDFQMHICDC-HXUWFJFHSA-N 1 0 380.536 3.707 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001231619151 1034776065 /nfs/dbraw/zinc/77/60/65/1034776065.db2.gz HUTFQVKDYMQCQJ-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001231618433 1034776704 /nfs/dbraw/zinc/77/67/04/1034776704.db2.gz KNEUXDLNLFTUNC-UHFFFAOYSA-N 1 0 377.444 3.558 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1 ZINC001231623210 1034783237 /nfs/dbraw/zinc/78/32/37/1034783237.db2.gz XLLMLQBINSGADM-JTHBVZDNSA-N 1 0 380.488 3.849 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)c1 ZINC001231655761 1034813704 /nfs/dbraw/zinc/81/37/04/1034813704.db2.gz BWBIPLBSOMVSCM-UHFFFAOYSA-N 1 0 385.515 3.690 20 30 GHEDRO C#Cc1cccc(C[N@@H+](CCCOC)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001231663858 1034818013 /nfs/dbraw/zinc/81/80/13/1034818013.db2.gz SZKPBLQQZIXNBF-UHFFFAOYSA-N 1 0 386.536 3.906 20 30 GHEDRO CCOC(=O)c1cc(C)nc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)c1C#N ZINC001160012173 1034828270 /nfs/dbraw/zinc/82/82/70/1034828270.db2.gz QOTPKQFGBUXISN-CQSZACIVSA-N 1 0 376.460 3.580 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c(Cl)cc(OC)cc1OC)CC2 ZINC001231696253 1034843997 /nfs/dbraw/zinc/84/39/97/1034843997.db2.gz MVKTXXZHAOVHBW-OAQYLSRUSA-N 1 0 392.927 3.890 20 30 GHEDRO N#CC1(Nc2cncc(N3CCCCCC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001160107210 1034863419 /nfs/dbraw/zinc/86/34/19/1034863419.db2.gz IPLINICZMBFWCO-UHFFFAOYSA-N 1 0 390.535 3.827 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1C)CC2 ZINC001231795633 1034913178 /nfs/dbraw/zinc/91/31/78/1034913178.db2.gz NCAMGSYWRSQHLS-XMMPIXPASA-N 1 0 390.531 3.985 20 30 GHEDRO N#Cc1cc(Br)c(F)cc1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001160250078 1034916997 /nfs/dbraw/zinc/91/69/97/1034916997.db2.gz OGGKFGWXHNJQHC-UHFFFAOYSA-N 1 0 375.245 3.613 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1 ZINC001231815938 1034925600 /nfs/dbraw/zinc/92/56/00/1034925600.db2.gz FTKYZBRVHGYUKF-UHFFFAOYSA-N 1 0 384.524 3.526 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001231816156 1034925738 /nfs/dbraw/zinc/92/57/38/1034925738.db2.gz JXPMQGQYBDVAKN-FQEVSTJZSA-N 1 0 386.540 3.868 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001231817720 1034927329 /nfs/dbraw/zinc/92/73/29/1034927329.db2.gz NERYNCLKAQRCKY-BGYRXZFFSA-N 1 0 380.561 3.662 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(Cc1ncc(Br)cc1F)CC2 ZINC001231986511 1035024968 /nfs/dbraw/zinc/02/49/68/1035024968.db2.gz BVZLFTXCEIELKG-GOSISDBHSA-N 1 0 396.304 3.516 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCCc3cccc(Br)c3)C2)C1=O ZINC001208822660 1035042036 /nfs/dbraw/zinc/04/20/36/1035042036.db2.gz OYEGCIAJIDADRS-FQEVSTJZSA-N 1 0 391.353 3.882 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc2)cc1 ZINC001160744413 1035053128 /nfs/dbraw/zinc/05/31/28/1035053128.db2.gz RHDQQAZPGVRTNS-QZTJIDSGSA-N 1 0 390.409 3.679 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](CCCc3cccc(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001208849396 1035057392 /nfs/dbraw/zinc/05/73/92/1035057392.db2.gz GFZQNWSYPYCDHY-NOZRDPDXSA-N 1 0 387.527 3.829 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)c1 ZINC001208852629 1035059177 /nfs/dbraw/zinc/05/91/77/1035059177.db2.gz OFTVJAPFCKFHNG-UHFFFAOYSA-N 1 0 383.499 3.803 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(CCCc4cccc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001208852427 1035059266 /nfs/dbraw/zinc/05/92/66/1035059266.db2.gz JVPVMQQOJBWYEE-VWNXMTODSA-N 1 0 375.516 3.637 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC001208859807 1035063574 /nfs/dbraw/zinc/06/35/74/1035063574.db2.gz UHDYPZOHILMSAM-XMMPIXPASA-N 1 0 391.490 3.755 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1 ZINC001208860126 1035063841 /nfs/dbraw/zinc/06/38/41/1035063841.db2.gz YFDHDCBWLLAEAF-BJKOFHAPSA-N 1 0 391.515 3.726 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160952620 1035104706 /nfs/dbraw/zinc/10/47/06/1035104706.db2.gz WRZTZYWAOPGVGA-UWJYYQICSA-N 1 0 379.504 3.790 20 30 GHEDRO C=CCN(CC[N@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1)C(=O)OCC ZINC001209022332 1035152217 /nfs/dbraw/zinc/15/22/17/1035152217.db2.gz VZPBLIAZJHVQCS-FKBYEOEOSA-N 1 0 384.520 3.828 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccn1Cc1ccccc1)CC2 ZINC001232232010 1035173973 /nfs/dbraw/zinc/17/39/73/1035173973.db2.gz IXYROYFDKXZGAV-UHFFFAOYSA-N 1 0 379.504 3.757 20 30 GHEDRO CCCCCCCCCCN(C)C(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001161228559 1035185665 /nfs/dbraw/zinc/18/56/65/1035185665.db2.gz YBLLDPZFYQCYRM-NHCUHLMSSA-N 1 0 385.552 3.698 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161242936 1035189617 /nfs/dbraw/zinc/18/96/17/1035189617.db2.gz KCBFYVDCVYPDBO-UHFFFAOYSA-N 1 0 391.853 3.553 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCCCCC(=O)OCC)[C@@H]2CC ZINC001209349159 1035248424 /nfs/dbraw/zinc/24/84/24/1035248424.db2.gz HRAJFAVLABAABO-KNQAVFIVSA-N 1 0 378.557 3.922 20 30 GHEDRO COC1CCC(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001209393492 1035267727 /nfs/dbraw/zinc/26/77/27/1035267727.db2.gz KHWYAALMACHXAO-VZYOYLOZSA-N 1 0 397.563 3.682 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(CC1)OCC(=O)N(Cc1csc(C)n1)[C@@H]2C ZINC001209423504 1035271963 /nfs/dbraw/zinc/27/19/63/1035271963.db2.gz VWFBGIAVGBWDCJ-QGZVFWFLSA-N 1 0 391.581 3.780 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001209434972 1035273902 /nfs/dbraw/zinc/27/39/02/1035273902.db2.gz ALJZOBQNUJMPRO-QNWVGRARSA-N 1 0 399.579 3.604 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(C)nc3ccccn31)CC2 ZINC001209648003 1035342760 /nfs/dbraw/zinc/34/27/60/1035342760.db2.gz VIAAWRNOISEKDH-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO Cc1cc(Br)cc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)c1 ZINC001248156662 1035582546 /nfs/dbraw/zinc/58/25/46/1035582546.db2.gz ZPQCGKAYMMXBOR-QGZVFWFLSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccccc3OC(F)(F)F)no2)cc1 ZINC001248155985 1035583029 /nfs/dbraw/zinc/58/30/29/1035583029.db2.gz NGUBZHZWFBDJQI-CQSZACIVSA-N 1 0 388.349 3.619 20 30 GHEDRO CCOc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)cc1Cl ZINC001248180179 1035607860 /nfs/dbraw/zinc/60/78/60/1035607860.db2.gz BDENWDQZHOOAEM-INIZCTEOSA-N 1 0 382.851 3.773 20 30 GHEDRO CCOc1ncc(-c2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001241549114 1035619635 /nfs/dbraw/zinc/61/96/35/1035619635.db2.gz LGUCTLJFLOQYCE-UHFFFAOYSA-N 1 0 399.498 3.995 20 30 GHEDRO COC(OC)c1c(C#N)ccnc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241757796 1035675651 /nfs/dbraw/zinc/67/56/51/1035675651.db2.gz FMYOVEFUMDXUCX-UHFFFAOYSA-N 1 0 381.476 3.776 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2ccc(C#C[Si](C)(C)C)nc2)cc1 ZINC001241783758 1035701111 /nfs/dbraw/zinc/70/11/11/1035701111.db2.gz OSSMSEZJKFJOMI-UHFFFAOYSA-N 1 0 379.580 3.659 20 30 GHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001242117930 1035818374 /nfs/dbraw/zinc/81/83/74/1035818374.db2.gz XVBOCSIVVMGHTR-GOSISDBHSA-N 1 0 386.455 3.673 20 30 GHEDRO N#Cc1ccc(-c2noc([C@@H]3C[C@@H](Cc4cccc(C(F)(F)F)c4)C[NH2+]3)n2)nc1 ZINC001248635351 1036015577 /nfs/dbraw/zinc/01/55/77/1036015577.db2.gz MYSZQHXMMXOFNC-PBHICJAKSA-N 1 0 399.376 3.915 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001248749904 1036106843 /nfs/dbraw/zinc/10/68/43/1036106843.db2.gz PVCLSLUZLXSMSS-HSZRJFAPSA-N 1 0 377.463 3.889 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-c2cccc(OCC[NH+](C)C)c2)n1 ZINC001243748205 1036267565 /nfs/dbraw/zinc/26/75/65/1036267565.db2.gz NBRRVLAAGWGAQK-OXYJFDKOSA-N 1 0 387.549 3.879 20 30 GHEDRO CCCCCCCCOc1ccc(NC[C@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001245968241 1037091410 /nfs/dbraw/zinc/09/14/10/1037091410.db2.gz TWWNZOQBTRZAGS-HXUWFJFHSA-N 1 0 378.557 3.703 20 30 GHEDRO CCCCCCCCCC[NH+]1CCC2(CCN(S(=O)(=O)N(C)C)C2)CC1 ZINC001278441463 1037306764 /nfs/dbraw/zinc/30/67/64/1037306764.db2.gz BIKYWKOKAZRPQM-UHFFFAOYSA-N 1 0 387.634 3.721 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCN[C@@H](c3ccccc3)C1)CC2 ZINC001246527188 1037460875 /nfs/dbraw/zinc/46/08/75/1037460875.db2.gz SQEKXBAQRPWCSX-FGZHOGPDSA-N 1 0 397.563 3.980 20 30 GHEDRO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246785448 1037625209 /nfs/dbraw/zinc/62/52/09/1037625209.db2.gz BCOPWBPQIFFMAU-GMAHTHKFSA-N 1 0 378.495 3.621 20 30 GHEDRO C#CC[N@@H+](Cc1cn(CC(=O)OCC)nc1-c1ccccc1)Cc1ccccc1 ZINC001462213754 1070088504 /nfs/dbraw/zinc/08/85/04/1070088504.db2.gz DSOBHXMOYHMLLH-UHFFFAOYSA-N 1 0 387.483 3.749 20 30 GHEDRO C#CCOc1ccc(-c2nc3c(cccc3F)n2CC2CC[NH2+]CC2)cc1OC ZINC001247032435 1037852917 /nfs/dbraw/zinc/85/29/17/1037852917.db2.gz MQVDEGJJRKDQFV-UHFFFAOYSA-N 1 0 393.462 3.863 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(O)c3ncccc13)CC2 ZINC001232272044 1037996911 /nfs/dbraw/zinc/99/69/11/1037996911.db2.gz IWNCWIFKORMTLQ-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO N#Cc1ccc(-c2noc([C@@H](c3cccs3)N3CC([NH3+])C3)n2)c2ccccc12 ZINC001247324610 1038118097 /nfs/dbraw/zinc/11/80/97/1038118097.db2.gz RQFWYLXOMWSTST-LJQANCHMSA-N 1 0 387.468 3.555 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3nc(C)c(C(=O)OCC)s3)ccc2O)C1 ZINC001232454169 1038238672 /nfs/dbraw/zinc/23/86/72/1038238672.db2.gz XEWYFUVKWVDXKC-OAHLLOKOSA-N 1 0 384.501 3.846 20 30 GHEDRO C=C[C@@H]1C[C@]1(N)c1nc(-c2cc(Br)ccc2OC(F)(F)F)no1 ZINC001247621395 1038279076 /nfs/dbraw/zinc/27/90/76/1038279076.db2.gz LVMMIHIADPMXLL-FUXBKTLASA-N 1 0 390.159 3.758 20 30 GHEDRO C=CCCNC(=S)NCC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001247679320 1038314888 /nfs/dbraw/zinc/31/48/88/1038314888.db2.gz IHPJXEYDFSBEHS-UHFFFAOYSA-N 1 0 396.398 3.701 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@]3(C(F)(F)F)CC[NH2+]C3)n2)cc1Cl ZINC001247757799 1038364610 /nfs/dbraw/zinc/36/46/10/1038364610.db2.gz AJAGIBFUMYCJFS-ZDUSSCGKSA-N 1 0 377.153 3.708 20 30 GHEDRO CN(Cc1ccco1)[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H]2CCCO[C@H]12 ZINC001232607207 1038389896 /nfs/dbraw/zinc/38/98/96/1038389896.db2.gz GCLNAVRCPGSWAY-WTOYTKOKSA-N 1 0 399.922 3.916 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3CO[C@]4(C3)CCC[NH2+]CC4)n2)cc1Cl ZINC001247924668 1038500782 /nfs/dbraw/zinc/50/07/82/1038500782.db2.gz IIYSLKYUPVIHGH-KZULUSFZSA-N 1 0 393.274 3.931 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001247937881 1038509642 /nfs/dbraw/zinc/50/96/42/1038509642.db2.gz FBEDFZINIBAKOU-HWWQOWPSSA-N 1 0 387.281 3.549 20 30 GHEDRO Cc1c(Cl)nccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001232753379 1038537089 /nfs/dbraw/zinc/53/70/89/1038537089.db2.gz YEMJWONXOUADIT-OAQYLSRUSA-N 1 0 380.879 3.544 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)s1 ZINC001232843080 1038593379 /nfs/dbraw/zinc/59/33/79/1038593379.db2.gz IFOLHQSWQKRLLA-NHCUHLMSSA-N 1 0 383.517 3.603 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccc(C#N)s2)CC3)cs1 ZINC001232843407 1038594711 /nfs/dbraw/zinc/59/47/11/1038594711.db2.gz NPAALPPBUMNDMO-MRXNPFEDSA-N 1 0 389.546 3.725 20 30 GHEDRO C=CCN1CC[C@]2(CCCN2Cc2cc(F)c(C)cc2Br)C1=O ZINC001277734090 1038709274 /nfs/dbraw/zinc/70/92/74/1038709274.db2.gz SVVLPGPPTWFYKL-GOSISDBHSA-N 1 0 381.289 3.650 20 30 GHEDRO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)c2sccc2Cl)cc1C#N ZINC001277741038 1038735827 /nfs/dbraw/zinc/73/58/27/1038735827.db2.gz CFZDKKGKMTYDNY-GOOCMWNKSA-N 1 0 388.924 3.537 20 30 GHEDRO Cc1cc(C#N)ccc1CN1Cc2ncn(C)c2[C@H](COCC2CCCC2)C1 ZINC001233079481 1038845790 /nfs/dbraw/zinc/84/57/90/1038845790.db2.gz FDNGTTRVNSWZQP-NRFANRHFSA-N 1 0 378.520 3.906 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+]1CCc2nc(C(=O)N3CCCCC3)sc2CC1 ZINC001233080387 1038847364 /nfs/dbraw/zinc/84/73/64/1038847364.db2.gz XAQSKKVMIQOPCH-UHFFFAOYSA-N 1 0 394.544 3.550 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001233081711 1038852508 /nfs/dbraw/zinc/85/25/08/1038852508.db2.gz MQVKZRBBRBPZDY-ISKFKSNPSA-N 1 0 391.515 3.850 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001252126293 1038874116 /nfs/dbraw/zinc/87/41/16/1038874116.db2.gz OJSDIHCOQQYTRF-RBBKRZOGSA-N 1 0 377.573 3.853 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC001252126919 1038874333 /nfs/dbraw/zinc/87/43/33/1038874333.db2.gz UUOAGDQUDHCSJJ-FPOVZHCZSA-N 1 0 377.573 3.870 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1csc(C)n1 ZINC001252127847 1038876743 /nfs/dbraw/zinc/87/67/43/1038876743.db2.gz FRZWPSPYHKUBTL-HSALFYBXSA-N 1 0 393.597 3.738 20 30 GHEDRO CN(C)c1ccc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)c(F)c1C#N ZINC001233102927 1038886943 /nfs/dbraw/zinc/88/69/43/1038886943.db2.gz SOZGICBQTRUQAC-UHFFFAOYSA-N 1 0 378.492 3.500 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1CCN(C(=O)c2ccncc2)CC1 ZINC001252139090 1038890202 /nfs/dbraw/zinc/89/02/02/1038890202.db2.gz JBXLSOCUJQVUBH-OAQYLSRUSA-N 1 0 375.557 3.635 20 30 GHEDRO C[C@@](O)(C[NH+]1CC2(C1)CCCCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252319709 1038941775 /nfs/dbraw/zinc/94/17/75/1038941775.db2.gz CSGLQXKMMJPWTI-GOSISDBHSA-N 1 0 395.425 3.533 20 30 GHEDRO C[C@@H]([NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 ZINC001252331565 1038944676 /nfs/dbraw/zinc/94/46/76/1038944676.db2.gz TWXQKBLLELKAHA-DIFFPNOSSA-N 1 0 397.422 3.679 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]C1(Cc2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252578386 1039037488 /nfs/dbraw/zinc/03/74/88/1039037488.db2.gz CQMTVTMLBOSBJD-OAQYLSRUSA-N 1 0 392.515 3.665 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]C1(c2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583140 1039038617 /nfs/dbraw/zinc/03/86/17/1039038617.db2.gz DXZOEDDNZLPTLA-FQEVSTJZSA-N 1 0 378.488 3.579 20 30 GHEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001252595357 1039040735 /nfs/dbraw/zinc/04/07/35/1039040735.db2.gz GUCVVTMPYSERHX-VQTJNVASSA-N 1 0 386.536 3.650 20 30 GHEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001252597469 1039040761 /nfs/dbraw/zinc/04/07/61/1039040761.db2.gz ZOPIZTQFWKLDDJ-FUPPJEDESA-N 1 0 396.556 3.898 20 30 GHEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](OCc2ccccn2)[C@H](Cc2ccccc2)C1 ZINC001252595248 1039041077 /nfs/dbraw/zinc/04/10/77/1039041077.db2.gz GKOVMJKKPFBQEV-JRFVFWCSSA-N 1 0 380.532 3.859 20 30 GHEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001252602983 1039043886 /nfs/dbraw/zinc/04/38/86/1039043886.db2.gz YULVLQSCDKFRGW-XZOQPEGZSA-N 1 0 378.516 3.617 20 30 GHEDRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2cc1C ZINC001252678487 1039075278 /nfs/dbraw/zinc/07/52/78/1039075278.db2.gz KYMAZPFBDMZWKZ-FUPPJEDESA-N 1 0 388.515 3.786 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(/C=C/C(=O)OC)cc1)[C@@H]2CC ZINC001233297221 1039089162 /nfs/dbraw/zinc/08/91/62/1039089162.db2.gz RBBWGTCVUPXVNY-RAMPRORUSA-N 1 0 396.531 3.794 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3ncoc3[C@@H]3CCCO3)CCCCC2)CCO1 ZINC000329424652 1039101775 /nfs/dbraw/zinc/10/17/75/1039101775.db2.gz FQDFWDQAPLEPLJ-INIZCTEOSA-N 1 0 391.512 3.644 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001252970577 1039305265 /nfs/dbraw/zinc/30/52/65/1039305265.db2.gz JOXVOHAHTNBIQS-XZOQPEGZSA-N 1 0 398.595 3.581 20 30 GHEDRO CCCCCCCCCC[C@@H](O)CN1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252983665 1039311144 /nfs/dbraw/zinc/31/11/44/1039311144.db2.gz YHDXUVLOAOFCIV-JOCHJYFZSA-N 1 0 395.632 3.540 20 30 GHEDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001233452227 1039334779 /nfs/dbraw/zinc/33/47/79/1039334779.db2.gz OJGHLADYBZXZDG-STQMWFEESA-N 1 0 375.284 3.638 20 30 GHEDRO COC(=O)C1=C[C@H](Oc2c(Cl)cccc2C#N)CN(Cc2ccccc2)C1 ZINC001233549013 1039431385 /nfs/dbraw/zinc/43/13/85/1039431385.db2.gz ASVYVBAIOIETQN-SFHVURJKSA-N 1 0 382.847 3.574 20 30 GHEDRO C#CC(C)(C)[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253224958 1039483733 /nfs/dbraw/zinc/48/37/33/1039483733.db2.gz XWYLCNWPIBYQHO-IBGZPJMESA-N 1 0 376.456 3.554 20 30 GHEDRO C=CCCCCCC[C@@H](O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253236369 1039491384 /nfs/dbraw/zinc/49/13/84/1039491384.db2.gz SOWHITOXZJTWNU-IFMALSPDSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001253238648 1039494706 /nfs/dbraw/zinc/49/47/06/1039494706.db2.gz SVXMYBNRJAWLSC-LJQANCHMSA-N 1 0 375.557 3.592 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001253239095 1039496792 /nfs/dbraw/zinc/49/67/92/1039496792.db2.gz KCHSJOMGELCYOU-INIZCTEOSA-N 1 0 386.462 3.505 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001253238788 1039496923 /nfs/dbraw/zinc/49/69/23/1039496923.db2.gz HOHLCYNBJLEQQM-QGQQZZQASA-N 1 0 399.579 3.915 20 30 GHEDRO COC(=O)c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C#N)c1 ZINC001233633077 1039497367 /nfs/dbraw/zinc/49/73/67/1039497367.db2.gz WDLNXPTXJFVBQR-WKCHPHFGSA-N 1 0 376.456 3.919 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001253241393 1039498523 /nfs/dbraw/zinc/49/85/23/1039498523.db2.gz VWPQLIWKYZCZFV-ZCNNSNEGSA-N 1 0 396.572 3.584 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(F)c(F)c3)cc(C#N)c21 ZINC001253378192 1039589511 /nfs/dbraw/zinc/58/95/11/1039589511.db2.gz KNIKMSSGPOQRPK-ASSNKEHSSA-N 1 0 397.425 3.705 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253420302 1039616346 /nfs/dbraw/zinc/61/63/46/1039616346.db2.gz HOIUBKWISXHRKL-OAQYLSRUSA-N 1 0 380.488 3.505 20 30 GHEDRO Cc1ccc(S(=O)(=O)n2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)c2)cc1 ZINC001233815420 1039638689 /nfs/dbraw/zinc/63/86/89/1039638689.db2.gz OKVIDWPVFGKIKP-UHFFFAOYSA-N 1 0 379.485 3.537 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@@H](C)CO ZINC001253614248 1039723411 /nfs/dbraw/zinc/72/34/11/1039723411.db2.gz KZDWEGZMCAZOTO-RTWAWAEBSA-N 1 0 375.594 3.519 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1cnc[nH]1 ZINC001253614373 1039723839 /nfs/dbraw/zinc/72/38/39/1039723839.db2.gz NMMKEOVYVZSYDZ-OAQYLSRUSA-N 1 0 383.577 3.814 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c(=O)c3ccccc13)[C@@H]2CC ZINC001233980381 1039739676 /nfs/dbraw/zinc/73/96/76/1039739676.db2.gz QOIQMVGLVJNCNI-OFNKIYASSA-N 1 0 379.504 3.862 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(OC)cc1Cl ZINC001277830745 1039821010 /nfs/dbraw/zinc/82/10/10/1039821010.db2.gz TUJYAAFCMRKKCB-HXUWFJFHSA-N 1 0 378.900 3.587 20 30 GHEDRO CCCCCCCC[N@H+](C)C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253869664 1039871360 /nfs/dbraw/zinc/87/13/60/1039871360.db2.gz LNCWHMXLUHLKTR-VQTJNVASSA-N 1 0 380.483 3.799 20 30 GHEDRO Cc1cccc(N(C)c2ccc(CN3CCN(c4nccnc4C#N)CC3)cc2)c1 ZINC001234179270 1039910987 /nfs/dbraw/zinc/91/09/87/1039910987.db2.gz KKWIDEYNCIWVQQ-UHFFFAOYSA-N 1 0 398.514 3.747 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001254009604 1039950437 /nfs/dbraw/zinc/95/04/37/1039950437.db2.gz XQUMVVPGTXNUCV-JOCHJYFZSA-N 1 0 394.515 3.965 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001254009605 1039950532 /nfs/dbraw/zinc/95/05/32/1039950532.db2.gz XQUMVVPGTXNUCV-QFIPXVFZSA-N 1 0 394.515 3.965 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3ccc(Br)[nH]3)CC2)C1=O ZINC001277855300 1040018994 /nfs/dbraw/zinc/01/89/94/1040018994.db2.gz MELBGRNCXHCQGG-SFHVURJKSA-N 1 0 380.330 3.558 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(O)ccc4ccc(OC)cc43)C2)C1=O ZINC001234537090 1040110390 /nfs/dbraw/zinc/11/03/90/1040110390.db2.gz WDSTWQXUJRSXQU-HSZRJFAPSA-N 1 0 380.488 3.555 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(O)ccc3ccc(OC)cc31)C2 ZINC001234546059 1040116884 /nfs/dbraw/zinc/11/68/84/1040116884.db2.gz XZCDUMFQAKVDKS-AUSIDOKSSA-N 1 0 383.488 3.880 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@]2(O)CCOc3ccccc32)CC1 ZINC001254348448 1040181819 /nfs/dbraw/zinc/18/18/19/1040181819.db2.gz MOSKYLHKIARHBQ-ZUEZHPSSSA-N 1 0 380.463 3.790 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(N)(c3cccnc3)CC2)CC1 ZINC001254351162 1040185160 /nfs/dbraw/zinc/18/51/60/1040185160.db2.gz SPNGSEVOGSAVPO-UHFFFAOYSA-N 1 0 378.495 3.875 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(N(c2ncccn2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001254355614 1040188216 /nfs/dbraw/zinc/18/82/16/1040188216.db2.gz IHHXYJAFGAHNQQ-SNCIUUNGSA-N 1 0 379.483 3.578 20 30 GHEDRO CCC1=NC2(CC[NH+](C3CCC(C#N)(c4ccc(F)cc4)CC3)CC2)C(=O)N1C ZINC001254360343 1040192933 /nfs/dbraw/zinc/19/29/33/1040192933.db2.gz ZVVUEUWORJWXIZ-UHFFFAOYSA-N 1 0 396.510 3.645 20 30 GHEDRO Cc1ccnc(N(C2CC[NH2+]CC2)C2CCC(C#N)(c3ccc(F)cc3)CC2)n1 ZINC001254360147 1040192942 /nfs/dbraw/zinc/19/29/42/1040192942.db2.gz XBVOGQZITJFTHF-UHFFFAOYSA-N 1 0 393.510 3.887 20 30 GHEDRO CC[NH+](CC)C[C@@H](C)Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001234716862 1040249418 /nfs/dbraw/zinc/24/94/18/1040249418.db2.gz SCHYTWIEGDLLSO-ZXMBATIKSA-N 1 0 397.471 3.866 20 30 GHEDRO COc1ccc2c(c1)O[C@H]1c3ccc(O[C@H](CC#N)C[N+](C)(C)C)cc3OC[C@@H]21 ZINC001234756984 1040285981 /nfs/dbraw/zinc/28/59/81/1040285981.db2.gz KFHDYJIPRGXTTA-MONBJTKQSA-N 1 0 395.479 3.672 20 30 GHEDRO C[C@H]1CC(=O)N(C)c2ccc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)cc21 ZINC001234842810 1040363976 /nfs/dbraw/zinc/36/39/76/1040363976.db2.gz LFVAQNBTXVUKEC-OXJNMPFZSA-N 1 0 375.472 3.682 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)C1 ZINC001254663887 1040425091 /nfs/dbraw/zinc/42/50/91/1040425091.db2.gz SNIVCBSHPLQSLL-HBFSDRIKSA-N 1 0 377.532 3.868 20 30 GHEDRO COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC1)C2 ZINC001254669905 1040428840 /nfs/dbraw/zinc/42/88/40/1040428840.db2.gz WUCCRXQGJZTUEI-BHIYHBOVSA-N 1 0 382.504 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2cccnc2)[C@@H]2CC[C@H](C#N)C2)C1 ZINC001254678223 1040433802 /nfs/dbraw/zinc/43/38/02/1040433802.db2.gz ZQWSBVRPLVXMJF-SXLOBPIMSA-N 1 0 384.524 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccncc2)[C@@H]2CC[C@H](C#N)C2)C1 ZINC001254677273 1040433876 /nfs/dbraw/zinc/43/38/76/1040433876.db2.gz RQTZUYPTTHYFLY-XUVXKRRUSA-N 1 0 384.524 3.975 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1cc(C#N)ccc1Cl)CC2 ZINC001235019612 1040508475 /nfs/dbraw/zinc/50/84/75/1040508475.db2.gz OBMYSQNHGXUZMC-UHFFFAOYSA-N 1 0 381.907 3.857 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)nc3Cl)C2)C1=O ZINC001277926925 1040683528 /nfs/dbraw/zinc/68/35/28/1040683528.db2.gz FBXIRDJBQQBUQS-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC001462501618 1070306419 /nfs/dbraw/zinc/30/64/19/1070306419.db2.gz AHOVWOMRVQZILA-HFGNEKBZSA-N 1 0 375.516 3.945 20 30 GHEDRO Cc1nc(CN2C[C@@]3(CC2=O)CCCCN3Cc2ccc(C#N)s2)cs1 ZINC001277949252 1040961801 /nfs/dbraw/zinc/96/18/01/1040961801.db2.gz VBRYEQQREXASSJ-IBGZPJMESA-N 1 0 386.546 3.542 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235505819 1040965873 /nfs/dbraw/zinc/96/58/73/1040965873.db2.gz WBHJMDLMWMCASM-FQEVSTJZSA-N 1 0 388.899 3.827 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001235513940 1040970718 /nfs/dbraw/zinc/97/07/18/1040970718.db2.gz MQHMHJRULNBVGO-FYYLOGMGSA-N 1 0 377.488 3.598 20 30 GHEDRO Cc1nc(CN2CC[C@]3(CCC[N@H+](Cc4ccccc4CC#N)C3)C2=O)cs1 ZINC001235515558 1040971858 /nfs/dbraw/zinc/97/18/58/1040971858.db2.gz AVMOHQMMTFXCNQ-QFIPXVFZSA-N 1 0 394.544 3.532 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3ccccc3CC#N)C[C@@H]2CF)CC1 ZINC001235517507 1040972215 /nfs/dbraw/zinc/97/22/15/1040972215.db2.gz YNGYLJZVJBNPJI-RBUKOAKNSA-N 1 0 387.499 3.827 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001235517142 1040972966 /nfs/dbraw/zinc/97/29/66/1040972966.db2.gz JLKUWDXTIFQPID-DNQXCXABSA-N 1 0 391.515 3.736 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255405280 1040992466 /nfs/dbraw/zinc/99/24/66/1040992466.db2.gz YLRFRKDHKXOKPA-OAQYLSRUSA-N 1 0 394.563 3.536 20 30 GHEDRO N#Cc1c(-c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cccc1[N+](=O)[O-] ZINC001255486880 1041085909 /nfs/dbraw/zinc/08/59/09/1041085909.db2.gz LFWPNAQISHSFET-OAHLLOKOSA-N 1 0 375.388 3.506 20 30 GHEDRO C=CCOc1cccc(CN2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235646281 1041088045 /nfs/dbraw/zinc/08/80/45/1041088045.db2.gz KCGYXBYMOXTYGH-UHFFFAOYSA-N 1 0 380.536 3.886 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@@H]21 ZINC001235656403 1041105916 /nfs/dbraw/zinc/10/59/16/1041105916.db2.gz DGVXBRUNFUPMTB-WCAVRKLYSA-N 1 0 396.485 3.964 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3c(F)cc(C#N)cc3F)C2)C1=O ZINC001235657150 1041105993 /nfs/dbraw/zinc/10/59/93/1041105993.db2.gz MMVLQHCMRSGGHR-HSZRJFAPSA-N 1 0 395.453 3.983 20 30 GHEDRO N#CCCN(Cc1cc(Br)ccc1N1CC[NH2+]CC1)C1CCCC1 ZINC001235663819 1041116005 /nfs/dbraw/zinc/11/60/05/1041116005.db2.gz LLDKTDUSMQANFY-UHFFFAOYSA-N 1 0 391.357 3.517 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CC[C@H](C[NH3+])C3)c2)cc1 ZINC001235751403 1041237352 /nfs/dbraw/zinc/23/73/52/1041237352.db2.gz YBNJXHAJTPQOBL-OAHLLOKOSA-N 1 0 386.293 3.894 20 30 GHEDRO N#Cc1ccc2cc(CN3CC[NH2+][C@H](c4cccc(Br)c4)C3)[nH]c2c1 ZINC001235798464 1041300195 /nfs/dbraw/zinc/30/01/95/1041300195.db2.gz ZFVMOCWNSWAHKL-FQEVSTJZSA-N 1 0 395.304 3.949 20 30 GHEDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001255813717 1041319528 /nfs/dbraw/zinc/31/95/28/1041319528.db2.gz URDAMWGKWNUEOI-ZDUSSCGKSA-N 1 0 382.407 3.529 20 30 GHEDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001255813691 1041320189 /nfs/dbraw/zinc/32/01/89/1041320189.db2.gz URDAMWGKWNUEOI-CYBMUJFWSA-N 1 0 382.407 3.529 20 30 GHEDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)cc1C ZINC001462547724 1070350778 /nfs/dbraw/zinc/35/07/78/1070350778.db2.gz DOARDMMONSIOGB-HXUWFJFHSA-N 1 0 375.472 3.842 20 30 GHEDRO C=CCc1cccc(CN2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)c1O ZINC001236151892 1041573644 /nfs/dbraw/zinc/57/36/44/1041573644.db2.gz ADVQBGRCZKYOKA-HXUWFJFHSA-N 1 0 376.617 3.987 20 30 GHEDRO C[C@H]1CNCC(F)(F)[C@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001236314821 1041669091 /nfs/dbraw/zinc/66/90/91/1041669091.db2.gz OCSCXCSIBQNUDX-JTSKRJEESA-N 1 0 394.469 3.923 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](C3CCN(c4ccc(Cl)cc4)CC3)C2)C1=O ZINC001256310106 1041696147 /nfs/dbraw/zinc/69/61/47/1041696147.db2.gz LZMGBUQRVAYQAP-QFIPXVFZSA-N 1 0 387.955 3.809 20 30 GHEDRO CN(CCC#N)c1ccc(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236393078 1041697055 /nfs/dbraw/zinc/69/70/55/1041697055.db2.gz CFCIUJIKJGZPEL-HSZRJFAPSA-N 1 0 380.511 3.930 20 30 GHEDRO CCOCCN(Cc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001236462240 1041724372 /nfs/dbraw/zinc/72/43/72/1041724372.db2.gz UOQXACSIVZZNNN-UHFFFAOYSA-N 1 0 379.504 3.941 20 30 GHEDRO C[C@@H]1C[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CCN1C(=O)OC(C)(C)C ZINC001256460186 1041741940 /nfs/dbraw/zinc/74/19/40/1041741940.db2.gz YXFHQLOCAKXKTO-CRAIPNDOSA-N 1 0 382.508 3.975 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)c(F)c1 ZINC001236527593 1041753033 /nfs/dbraw/zinc/75/30/33/1041753033.db2.gz OCGIYSBITCSMDB-MRXNPFEDSA-N 1 0 389.434 3.874 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCCN2Cc2c(O)ccc(Cl)c2Cl)C1=O ZINC001277992196 1041798650 /nfs/dbraw/zinc/79/86/50/1041798650.db2.gz FAAHMUOBSIEKMB-SFHVURJKSA-N 1 0 382.291 3.570 20 30 GHEDRO CCc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c(O)c1 ZINC001236788368 1041894545 /nfs/dbraw/zinc/89/45/45/1041894545.db2.gz MNQYXRCTXJATTG-UHFFFAOYSA-N 1 0 378.476 3.612 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)c(F)cc1F)[C@H]2CC ZINC001236821512 1041916935 /nfs/dbraw/zinc/91/69/35/1041916935.db2.gz LRVFKTFDHCZDOT-FPOVZHCZSA-N 1 0 378.463 3.895 20 30 GHEDRO N#Cc1ccc(N2CCCN(Cc3nc4ccccc4cc3Cl)CC2)nc1 ZINC001236882694 1041939102 /nfs/dbraw/zinc/93/91/02/1041939102.db2.gz XWNPZQMINDUFJI-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cc(O)cc(F)c4)C3)C2)c1 ZINC001237280135 1042120964 /nfs/dbraw/zinc/12/09/64/1042120964.db2.gz LLQSEPJUXCHZSR-QHCPKHFHSA-N 1 0 395.478 3.522 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)C2 ZINC001237468222 1042221228 /nfs/dbraw/zinc/22/12/28/1042221228.db2.gz XXFLTBRGTCANMM-DHIUTWEWSA-N 1 0 379.504 3.624 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c2cc(C#N)ccc21 ZINC001237469814 1042221720 /nfs/dbraw/zinc/22/17/20/1042221720.db2.gz CBBYBHYVSJCXPJ-UHFFFAOYSA-N 1 0 381.867 3.537 20 30 GHEDRO CC[N@H+](Cc1cn(C)c2ccc(C#N)cc12)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237473500 1042224499 /nfs/dbraw/zinc/22/44/99/1042224499.db2.gz LRRBWRFZQMVCLJ-SFHVURJKSA-N 1 0 382.508 3.881 20 30 GHEDRO Cn1cc(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237473513 1042224565 /nfs/dbraw/zinc/22/45/65/1042224565.db2.gz MCKISGAOHAIFFT-UHFFFAOYSA-N 1 0 380.492 3.634 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(C#N)c(F)cc3F)C[C@@H]21 ZINC001237527936 1042252183 /nfs/dbraw/zinc/25/21/83/1042252183.db2.gz YJKLJWOKRHHXCA-NIJIEXERSA-N 1 0 396.485 3.964 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC001237565961 1042264816 /nfs/dbraw/zinc/26/48/16/1042264816.db2.gz VKYLHKOXBIEHHY-UHFFFAOYSA-N 1 0 383.558 3.562 20 30 GHEDRO CCCN(Cc1cn2cc(C#N)ccc2n1)[C@H](C)C(=O)Nc1ccccc1C ZINC001237616692 1042283148 /nfs/dbraw/zinc/28/31/48/1042283148.db2.gz FHVCYLAHFBERDY-QGZVFWFLSA-N 1 0 375.476 3.754 20 30 GHEDRO CCc1cc(Br)ccc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001237750229 1042352599 /nfs/dbraw/zinc/35/25/99/1042352599.db2.gz PVFPMLVQYNHDBP-UHFFFAOYSA-N 1 0 399.336 3.990 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1 ZINC001237750538 1042352887 /nfs/dbraw/zinc/35/28/87/1042352887.db2.gz LCCGNSIHCWSKQX-HXUWFJFHSA-N 1 0 379.891 3.707 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001237751211 1042353822 /nfs/dbraw/zinc/35/38/22/1042353822.db2.gz SMEMYQWRXOGVPP-FPOVZHCZSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1 ZINC001237751556 1042354034 /nfs/dbraw/zinc/35/40/34/1042354034.db2.gz XBAINDJQWUTMCV-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)cc2)cc1 ZINC001237821686 1042385562 /nfs/dbraw/zinc/38/55/62/1042385562.db2.gz UNBBPRWYWSYBMW-HXUWFJFHSA-N 1 0 379.481 3.914 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(OC)ccc3C(F)(F)F)C2)C1=O ZINC001238051113 1042474601 /nfs/dbraw/zinc/47/46/01/1042474601.db2.gz IHDBFIXNQZXBIB-IBGZPJMESA-N 1 0 382.426 3.715 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c(Cl)c1 ZINC001238081776 1042484939 /nfs/dbraw/zinc/48/49/39/1042484939.db2.gz DDIPOMAHGYCCBL-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)ccc1Cl ZINC001238190727 1042514484 /nfs/dbraw/zinc/51/44/84/1042514484.db2.gz KEOXDUNJVAYWMY-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)ccc1Cl ZINC001238192815 1042515586 /nfs/dbraw/zinc/51/55/86/1042515586.db2.gz XODZPUDSWHVBBV-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001238223338 1042524100 /nfs/dbraw/zinc/52/41/00/1042524100.db2.gz ZUDZGXYWAXAQMG-IBGZPJMESA-N 1 0 388.618 3.595 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)ccc1C#N ZINC001238763838 1042719356 /nfs/dbraw/zinc/71/93/56/1042719356.db2.gz VZYPELWXNVQGPE-UHFFFAOYSA-N 1 0 394.544 3.705 20 30 GHEDRO [NH3+]C[C@@H]1CC(F)(F)CN1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239307854 1042806522 /nfs/dbraw/zinc/80/65/22/1042806522.db2.gz HKRJWCRXJKANPR-JTQLQIEISA-N 1 0 391.262 3.924 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCC1(Cc2cccc(F)c2)CC[NH2+]CC1 ZINC001239384354 1042818451 /nfs/dbraw/zinc/81/84/51/1042818451.db2.gz UYQBDUPWHFXSQF-UHFFFAOYSA-N 1 0 382.508 3.596 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)cc1 ZINC001239386183 1042819270 /nfs/dbraw/zinc/81/92/70/1042819270.db2.gz OGUQBHJGLPSVSC-UHFFFAOYSA-N 1 0 384.936 3.863 20 30 GHEDRO N#Cc1cccc(NC(=S)NC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)c1 ZINC001239386476 1042819314 /nfs/dbraw/zinc/81/93/14/1042819314.db2.gz SDMNDZPITMNDTD-UHFFFAOYSA-N 1 0 384.936 3.863 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001239460898 1042832639 /nfs/dbraw/zinc/83/26/39/1042832639.db2.gz RTCJNLTZAUEJIO-KRWDZBQOSA-N 1 0 390.434 3.920 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001239460676 1042832859 /nfs/dbraw/zinc/83/28/59/1042832859.db2.gz OZUDIRXXZHXUDG-KRWDZBQOSA-N 1 0 390.434 3.920 20 30 GHEDRO N#Cc1cc(-c2ccc(C(=O)OCc3ccccc3F)cn2)cc(C2C[NH2+]C2)c1 ZINC001240346092 1042922416 /nfs/dbraw/zinc/92/24/16/1042922416.db2.gz DNPUGTLFHXJRKN-UHFFFAOYSA-N 1 0 387.414 3.803 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4nc(-c5ccncc5)ccc4C#N)cc3)CC2)CC1 ZINC001240579080 1042942620 /nfs/dbraw/zinc/94/26/20/1042942620.db2.gz IGRFMIMAGHXGQA-UHFFFAOYSA-N 1 0 395.510 3.919 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-c3ccc(N4CC[NH+](C)CC4)cc3)nn2)cc1 ZINC001240848917 1042958149 /nfs/dbraw/zinc/95/81/49/1042958149.db2.gz JTDMLNJIIVDHHD-JOCHJYFZSA-N 1 0 383.499 3.859 20 30 GHEDRO C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCC2)C1 ZINC001291046371 1043052952 /nfs/dbraw/zinc/05/29/52/1043052952.db2.gz PUXBGAZRGBTLJM-RTBURBONSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001291102174 1043078607 /nfs/dbraw/zinc/07/86/07/1043078607.db2.gz IOQAQIDBHAIYSK-IRXDYDNUSA-N 1 0 383.544 3.522 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001291113400 1043085853 /nfs/dbraw/zinc/08/58/53/1043085853.db2.gz DJOSUMWURBGUIR-IBGZPJMESA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001291142918 1043106737 /nfs/dbraw/zinc/10/67/37/1043106737.db2.gz NXHYNGYCTOJNCU-RBUKOAKNSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NCc1cc(C#N)ccc1N(C)C ZINC001462691200 1070473784 /nfs/dbraw/zinc/47/37/84/1070473784.db2.gz SBBFIWJOLSSIRO-UHFFFAOYSA-N 1 0 390.535 3.928 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001291429519 1043248770 /nfs/dbraw/zinc/24/87/70/1043248770.db2.gz LWOCAGXXHREGKK-AEFFLSMTSA-N 1 0 395.555 3.882 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256526034 1043452590 /nfs/dbraw/zinc/45/25/90/1043452590.db2.gz HZYSGTJSVUBYAP-OYDLWJJNSA-N 1 0 392.543 3.970 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC001291845299 1043496555 /nfs/dbraw/zinc/49/65/55/1043496555.db2.gz NHYYXGSNDVONDB-SESVDKBCSA-N 1 0 394.567 3.900 20 30 GHEDRO N#CC1(CS(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCCC1 ZINC001462735517 1070508628 /nfs/dbraw/zinc/50/86/28/1070508628.db2.gz WRTDAAAXHBSMJL-UHFFFAOYSA-N 1 0 381.586 3.569 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)[C@@H](O)C1 ZINC001257012518 1043799762 /nfs/dbraw/zinc/79/97/62/1043799762.db2.gz JDMQYCXWBBPRIN-JSRAGOMMSA-N 1 0 399.535 3.544 20 30 GHEDRO N#Cc1ccc(C2CCC(N3CCn4c(nnc4C(F)(F)F)C3)CC2)cc1 ZINC001257016358 1043801187 /nfs/dbraw/zinc/80/11/87/1043801187.db2.gz AVOAXDDSNYBJIT-UHFFFAOYSA-N 1 0 375.398 3.711 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(C)c2CCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016740 1043801404 /nfs/dbraw/zinc/80/14/04/1043801404.db2.gz HXEACZMGXQEIBK-QETWGEEDSA-N 1 0 391.519 3.515 20 30 GHEDRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001257062103 1043825286 /nfs/dbraw/zinc/82/52/86/1043825286.db2.gz AZICYZHOARTXHV-HOCLYGCPSA-N 1 0 376.884 3.787 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(Br)ccc1OC)C(C)C ZINC001292957976 1043965502 /nfs/dbraw/zinc/96/55/02/1043965502.db2.gz QPMVYJXNTQIJKK-KRWDZBQOSA-N 1 0 395.341 3.886 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccn(-c2ccc(F)cc2F)n1)C(C)C ZINC001292957679 1043965513 /nfs/dbraw/zinc/96/55/13/1043965513.db2.gz NRQWJVBRPFDCIR-FQEVSTJZSA-N 1 0 388.462 3.579 20 30 GHEDRO CCCCCCCCCC[C@@H](C)[N@@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001257550073 1044036037 /nfs/dbraw/zinc/03/60/37/1044036037.db2.gz HNFRLNCAKZYXAU-IFMALSPDSA-N 1 0 382.589 3.855 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H](O)C3CCN(C(=O)OC(C)(C)C)CC3)C[C@H](C1)C2 ZINC001257888473 1044245079 /nfs/dbraw/zinc/24/50/79/1044245079.db2.gz OUXZPYRKHWGBNI-KCEMCGNKSA-N 1 0 378.557 3.719 20 30 GHEDRO CCCCCCC[C@H](C)N(Cc1cnc2n1CC[NH2+]CC2)c1ccc(C)nn1 ZINC001258047661 1044370017 /nfs/dbraw/zinc/37/00/17/1044370017.db2.gz NLBGYNOJCSJPOH-IBGZPJMESA-N 1 0 384.572 3.883 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001258048683 1044370647 /nfs/dbraw/zinc/37/06/47/1044370647.db2.gz XBSXQWDSGSWPRY-GGAORHGYSA-N 1 0 389.584 3.734 20 30 GHEDRO C=CCC[C@@H](C)[NH+]1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)cnc32)CC1 ZINC001258729922 1044736227 /nfs/dbraw/zinc/73/62/27/1044736227.db2.gz ZDJUSXSEKVGBRZ-QGZVFWFLSA-N 1 0 378.520 3.741 20 30 GHEDRO COc1ccccc1C[C@H](C)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001258896290 1044852520 /nfs/dbraw/zinc/85/25/20/1044852520.db2.gz KJTKGAFEVVJAHU-KRWDZBQOSA-N 1 0 392.503 3.784 20 30 GHEDRO CCC[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001295027846 1044889932 /nfs/dbraw/zinc/88/99/32/1044889932.db2.gz YXJOLUHGANQFRT-NSISKUIASA-N 1 0 378.524 3.708 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC=C(C)C1 ZINC001295553439 1045050806 /nfs/dbraw/zinc/05/08/06/1045050806.db2.gz HEODWKHMHYXWTN-GOSISDBHSA-N 1 0 378.524 3.703 20 30 GHEDRO CC[N@H+](CCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C#N)C1CC1 ZINC001295828441 1045157003 /nfs/dbraw/zinc/15/70/03/1045157003.db2.gz ZAMPDDAUTGQINE-INIZCTEOSA-N 1 0 392.507 3.771 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C ZINC001296090667 1045250225 /nfs/dbraw/zinc/25/02/25/1045250225.db2.gz WJWHEGQGSRPKGV-PXNSSMCTSA-N 1 0 378.524 3.680 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCC1 ZINC001296089333 1045250682 /nfs/dbraw/zinc/25/06/82/1045250682.db2.gz OFTSLRYURNJASB-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC001297379624 1045506652 /nfs/dbraw/zinc/50/66/52/1045506652.db2.gz QMHHFJPHMYEFQG-UHFFFAOYSA-N 1 0 389.590 3.908 20 30 GHEDRO CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C[NH+](C)C ZINC001298067984 1045692139 /nfs/dbraw/zinc/69/21/39/1045692139.db2.gz QCFKKYAJDLOIAN-UHFFFAOYSA-N 1 0 396.539 3.715 20 30 GHEDRO N#Cc1ccc(Cl)c(-c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)o2)c1 ZINC001261571939 1046031392 /nfs/dbraw/zinc/03/13/92/1046031392.db2.gz UFCUYQOZMPQMNY-UHFFFAOYSA-N 1 0 393.878 3.626 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001300799710 1046168107 /nfs/dbraw/zinc/16/81/07/1046168107.db2.gz DWLVZKUJDDHHDU-WMZHIEFXSA-N 1 0 394.567 3.777 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262504272 1046265150 /nfs/dbraw/zinc/26/51/50/1046265150.db2.gz LPQZFQYHTSRWFI-MLHJIOFPSA-N 1 0 375.586 3.589 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC001301038023 1046302387 /nfs/dbraw/zinc/30/23/87/1046302387.db2.gz HJGQGADXDUBBPO-LEVJEWGPSA-N 1 0 384.520 3.796 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001301072397 1046319509 /nfs/dbraw/zinc/31/95/09/1046319509.db2.gz HIZYYGHKBHCFQT-OAQYLSRUSA-N 1 0 392.551 3.949 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301087403 1046331733 /nfs/dbraw/zinc/33/17/33/1046331733.db2.gz GEXRKAOHARPOCO-OAQYLSRUSA-N 1 0 394.567 3.541 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001301089432 1046334128 /nfs/dbraw/zinc/33/41/28/1046334128.db2.gz UEKOMXYSLQBZSA-UHFFFAOYSA-N 1 0 385.581 3.963 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001301095677 1046338340 /nfs/dbraw/zinc/33/83/40/1046338340.db2.gz LKGUBUCQUIBCBV-IBGZPJMESA-N 1 0 399.514 3.637 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001301119295 1046354541 /nfs/dbraw/zinc/35/45/41/1046354541.db2.gz CWIDIDQTZCODEL-FQEVSTJZSA-N 1 0 379.552 3.998 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccccn3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001301129139 1046361777 /nfs/dbraw/zinc/36/17/77/1046361777.db2.gz KEZUVVCPKBTGHA-UHFFFAOYSA-N 1 0 396.583 3.785 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301145682 1046371899 /nfs/dbraw/zinc/37/18/99/1046371899.db2.gz DERKMKWMOHTUNE-UHFFFAOYSA-N 1 0 384.572 3.806 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccnc2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001301285772 1046453946 /nfs/dbraw/zinc/45/39/46/1046453946.db2.gz DHSJABSOWGXCDX-OAQYLSRUSA-N 1 0 390.535 3.828 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001301293274 1046459877 /nfs/dbraw/zinc/45/98/77/1046459877.db2.gz AIQTYMWPFNDLAF-NRFANRHFSA-N 1 0 397.567 3.683 20 30 GHEDRO C=CCn1c(CCC[N@H+](C)Cc2c(C)noc2C)nnc1N(C)c1ccccc1 ZINC001262976970 1046462239 /nfs/dbraw/zinc/46/22/39/1046462239.db2.gz SUXMFCBGLHGQOL-UHFFFAOYSA-N 1 0 394.523 3.901 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](CC)C(C)C ZINC001301310381 1046473342 /nfs/dbraw/zinc/47/33/42/1046473342.db2.gz NNSZQPNRSAIMRS-QZTJIDSGSA-N 1 0 377.577 3.549 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001262995988 1046479718 /nfs/dbraw/zinc/47/97/18/1046479718.db2.gz SBGSQUROMYCDDX-HKUYNNGSSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001262995990 1046480326 /nfs/dbraw/zinc/48/03/26/1046480326.db2.gz SBGSQUROMYCDDX-MJGOQNOKSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](CC(C)C)[NH+](C)C)C1CC1 ZINC001301323117 1046486054 /nfs/dbraw/zinc/48/60/54/1046486054.db2.gz QFLGQJSEOVIUFA-LJQANCHMSA-N 1 0 382.556 3.780 20 30 GHEDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc(C#N)c1Br ZINC001301480955 1046559987 /nfs/dbraw/zinc/55/99/87/1046559987.db2.gz MKAUYRFQTSEXOL-XJKSGUPXSA-N 1 0 378.314 3.513 20 30 GHEDRO C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC001301518630 1046576235 /nfs/dbraw/zinc/57/62/35/1046576235.db2.gz LYSDDJFHPZPSMP-RTBURBONSA-N 1 0 397.567 3.935 20 30 GHEDRO C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301528441 1046580906 /nfs/dbraw/zinc/58/09/06/1046580906.db2.gz BEPCPOXFKPGKMR-LJQANCHMSA-N 1 0 397.567 3.935 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C(C)C)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001301539671 1046586530 /nfs/dbraw/zinc/58/65/30/1046586530.db2.gz VKYVIOHBLOJKKD-FQEVSTJZSA-N 1 0 389.588 3.837 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CCC1(C)C ZINC001301682969 1046657130 /nfs/dbraw/zinc/65/71/30/1046657130.db2.gz XQCXYTOIFGJNRP-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=C(C)Cn1c(-c2nc[nH]c2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001263340375 1046724535 /nfs/dbraw/zinc/72/45/35/1046724535.db2.gz JOQVLWCHGNDOHO-MJGOQNOKSA-N 1 0 397.571 3.644 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001301959177 1046761649 /nfs/dbraw/zinc/76/16/49/1046761649.db2.gz KSIGSLLZPFPATO-GOSISDBHSA-N 1 0 398.530 3.802 20 30 GHEDRO Cc1ccc(-c2csc(C(=O)NCC#CC[NH+](C)C)c2-n2cccc2)cc1 ZINC001302295063 1046903077 /nfs/dbraw/zinc/90/30/77/1046903077.db2.gz HSWUFCHOWHPVJE-UHFFFAOYSA-N 1 0 377.513 3.809 20 30 GHEDRO CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1)[NH+]1CCCC1 ZINC001302515637 1046960595 /nfs/dbraw/zinc/96/05/95/1046960595.db2.gz ZRKQMTBKEHOXQR-OAQYLSRUSA-N 1 0 390.535 3.703 20 30 GHEDRO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463178149 1070884746 /nfs/dbraw/zinc/88/47/46/1070884746.db2.gz YFMRJNFIGHFYPB-IZZNHLLZSA-N 1 0 394.518 3.995 20 30 GHEDRO C[C@@H](Sc1ccc(F)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001264578255 1047381858 /nfs/dbraw/zinc/38/18/58/1047381858.db2.gz NTAYEQHNJGJGAB-MRXNPFEDSA-N 1 0 385.508 3.768 20 30 GHEDRO C[C@@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001303755749 1047505466 /nfs/dbraw/zinc/50/54/66/1047505466.db2.gz YMFMBACUWJUSFF-XMSQKQJNSA-N 1 0 386.588 3.828 20 30 GHEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001264988178 1047535180 /nfs/dbraw/zinc/53/51/80/1047535180.db2.gz BVRBLHFTJMWGIZ-WTIAFYNJSA-N 1 0 399.579 3.926 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)o1 ZINC001304312635 1047642032 /nfs/dbraw/zinc/64/20/32/1047642032.db2.gz RTMHORZZJXIFID-KRWDZBQOSA-N 1 0 396.539 3.851 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C)C[NH+]1CCCC1 ZINC001304522040 1047699194 /nfs/dbraw/zinc/69/91/94/1047699194.db2.gz NDEKPHAITRPMTE-IEBWSBKVSA-N 1 0 380.540 3.724 20 30 GHEDRO C=CCCCCC[N@@H+]1CCC[C@]2(CN(C(=O)Cc3ccsc3)CCO2)C1 ZINC001279273846 1047753462 /nfs/dbraw/zinc/75/34/62/1047753462.db2.gz YXZBXLDONYOVKY-OAQYLSRUSA-N 1 0 376.566 3.730 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304795232 1047771048 /nfs/dbraw/zinc/77/10/48/1047771048.db2.gz DNWAMCVFLHXFDG-JTSKRJEESA-N 1 0 380.540 3.605 20 30 GHEDRO CC(C)c1nnc(N2CCC(C)(C#N)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304923650 1047809408 /nfs/dbraw/zinc/80/94/08/1047809408.db2.gz DOLXUAGTDUZVRF-RTBURBONSA-N 1 0 386.588 3.900 20 30 GHEDRO C[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304954337 1047819529 /nfs/dbraw/zinc/81/95/29/1047819529.db2.gz XJEKKCBNJRWUDS-VQIMIIECSA-N 1 0 378.524 3.708 20 30 GHEDRO C[C@H]1CCC[C@](Cn2c(C3CCC3)nnc2N2CCC(C#N)CC2)([NH+](C)C)C1 ZINC001304983466 1047829425 /nfs/dbraw/zinc/82/94/25/1047829425.db2.gz DRAZXKMFDYIHBZ-JTSKRJEESA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCCC2)[C@H]1C ZINC001305075875 1047877610 /nfs/dbraw/zinc/87/76/10/1047877610.db2.gz FFTDDFOXCKGVLG-OALUTQOASA-N 1 0 392.551 3.927 20 30 GHEDRO Cn1cc(C[NH2+][C@@]23CC[C@@](NCc4ncc(Cl)s4)(C2)CCC3)cc1C#N ZINC001279650817 1047892952 /nfs/dbraw/zinc/89/29/52/1047892952.db2.gz LXKNXJDNBGEFBK-RBUKOAKNSA-N 1 0 389.956 3.731 20 30 GHEDRO Cc1csc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC2(C#N)CCC2)c1Cl ZINC001279876341 1047977343 /nfs/dbraw/zinc/97/73/43/1047977343.db2.gz NOBJQJZBXFSCGT-RPCCPQHDSA-N 1 0 377.941 3.777 20 30 GHEDRO N#CCC1CN(C(=O)C23CC([NH2+]Cc4ccc(-c5cccs5)s4)(C2)C3)C1 ZINC001280269650 1048153855 /nfs/dbraw/zinc/15/38/55/1048153855.db2.gz PDDIAIGGYYKUQC-UHFFFAOYSA-N 1 0 383.542 3.861 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286296425 1048260679 /nfs/dbraw/zinc/26/06/79/1048260679.db2.gz OULUXPYNTRYCME-RXVVDRJESA-N 1 0 397.542 3.586 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+](C)[C@H](C)CC ZINC001286296341 1048261112 /nfs/dbraw/zinc/26/11/12/1048261112.db2.gz NUMDKKKSNFKZHR-IAGOWNOFSA-N 1 0 387.959 3.711 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001286314537 1048268747 /nfs/dbraw/zinc/26/87/47/1048268747.db2.gz QGUICXACLDGLHE-HXUWFJFHSA-N 1 0 379.552 3.916 20 30 GHEDRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001305867812 1048275004 /nfs/dbraw/zinc/27/50/04/1048275004.db2.gz QGXNFUQSPMEPFZ-QHCPKHFHSA-N 1 0 392.551 3.929 20 30 GHEDRO C#CCCCn1c(CCCc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001286355666 1048284938 /nfs/dbraw/zinc/28/49/38/1048284938.db2.gz WJCAFODOTCVLIZ-RBBKRZOGSA-N 1 0 391.563 3.540 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001286362717 1048290459 /nfs/dbraw/zinc/29/04/59/1048290459.db2.gz DVSXXJUGGNGDSW-ZWKOTPCHSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCCC1 ZINC001286368843 1048294286 /nfs/dbraw/zinc/29/42/86/1048294286.db2.gz SIJJUMSIOVZDOT-UHFFFAOYSA-N 1 0 379.552 3.798 20 30 GHEDRO C#CCN(C)c1nnc(C2CCCC2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001286372844 1048296148 /nfs/dbraw/zinc/29/61/48/1048296148.db2.gz YZLPQWQYGXSHMW-NRFANRHFSA-N 1 0 391.563 3.570 20 30 GHEDRO C#CCN(C)c1nnc(CCc2ccccc2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286379020 1048300785 /nfs/dbraw/zinc/30/07/85/1048300785.db2.gz BYSFBROVSTZOLF-SFTDATJTSA-N 1 0 393.579 3.501 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286436836 1048320523 /nfs/dbraw/zinc/32/05/23/1048320523.db2.gz XKZKQLUQPAURLE-QGZVFWFLSA-N 1 0 385.943 3.790 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286525186 1048350746 /nfs/dbraw/zinc/35/07/46/1048350746.db2.gz MVVKTKMYIKHUFW-MZLICYQSSA-N 1 0 397.611 3.981 20 30 GHEDRO C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286543062 1048357165 /nfs/dbraw/zinc/35/71/65/1048357165.db2.gz ZKNDWSRREZXKEK-UHFFFAOYSA-N 1 0 398.393 3.742 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001286569112 1048368787 /nfs/dbraw/zinc/36/87/87/1048368787.db2.gz DIRWJEZXZZHBQG-INIZCTEOSA-N 1 0 388.947 3.880 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001286573349 1048371963 /nfs/dbraw/zinc/37/19/63/1048371963.db2.gz JGHWATNWLRUODB-LJQANCHMSA-N 1 0 397.571 3.506 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC[NH+]1CCCCC1 ZINC001286578175 1048372173 /nfs/dbraw/zinc/37/21/73/1048372173.db2.gz AFNFBISFYWUGHW-UHFFFAOYSA-N 1 0 397.567 3.766 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1 ZINC001286584092 1048377303 /nfs/dbraw/zinc/37/73/03/1048377303.db2.gz XERYCNJHMBCATB-UHFFFAOYSA-N 1 0 399.514 3.661 20 30 GHEDRO C=C(Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC001286618582 1048390997 /nfs/dbraw/zinc/39/09/97/1048390997.db2.gz DJGSSKHSQSGJME-OAQYLSRUSA-N 1 0 395.551 3.764 20 30 GHEDRO C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001286620218 1048392424 /nfs/dbraw/zinc/39/24/24/1048392424.db2.gz HMISHFVPHTVHST-QGPMSJSTSA-N 1 0 377.964 3.997 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286649184 1048416318 /nfs/dbraw/zinc/41/63/18/1048416318.db2.gz ZIQKNGRXCJJBBO-LJQANCHMSA-N 1 0 383.515 3.506 20 30 GHEDRO C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001286699358 1048459951 /nfs/dbraw/zinc/45/99/51/1048459951.db2.gz RLVAPLCTJKYWSM-MOPGFXCFSA-N 1 0 375.561 3.654 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@@H+](C)C(C)C ZINC001286714636 1048471214 /nfs/dbraw/zinc/47/12/14/1048471214.db2.gz RKOXUBJYLZQHPO-MRXNPFEDSA-N 1 0 375.492 3.520 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001286729126 1048485529 /nfs/dbraw/zinc/48/55/29/1048485529.db2.gz ONBWNQMZLLTBMY-LJQANCHMSA-N 1 0 385.581 3.841 20 30 GHEDRO C=CCN(C)c1nnc(CC2CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001286730023 1048487507 /nfs/dbraw/zinc/48/75/07/1048487507.db2.gz LCDJMUDJIRQFGL-NRFANRHFSA-N 1 0 379.552 3.998 20 30 GHEDRO C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC001286739392 1048498549 /nfs/dbraw/zinc/49/85/49/1048498549.db2.gz AKGJNHRRCWBUTN-IBGZPJMESA-N 1 0 399.514 3.635 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001286742993 1048500434 /nfs/dbraw/zinc/50/04/34/1048500434.db2.gz XLMHTABBIZFTFE-NRFANRHFSA-N 1 0 390.535 3.704 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C)C1)C(C)C ZINC001286751137 1048504177 /nfs/dbraw/zinc/50/41/77/1048504177.db2.gz ANNOIQXWOTYVPQ-XUVXKRRUSA-N 1 0 387.572 3.674 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC1([NH+](C)C)CCOCC1 ZINC001286753802 1048506082 /nfs/dbraw/zinc/50/60/82/1048506082.db2.gz KMQNCLVUJCLTCT-UHFFFAOYSA-N 1 0 395.551 3.543 20 30 GHEDRO C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001286775662 1048521614 /nfs/dbraw/zinc/52/16/14/1048521614.db2.gz SRZJZMOOBMPHRP-CTNGQTDRSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCOc1ccc(Cn2c(C3CC3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001286797130 1048525737 /nfs/dbraw/zinc/52/57/37/1048525737.db2.gz RDACCRAHNDQZJY-ZWKOTPCHSA-N 1 0 395.551 3.688 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001286808276 1048535164 /nfs/dbraw/zinc/53/51/64/1048535164.db2.gz KJRVRHSUHVZMGS-AZUAARDMSA-N 1 0 387.572 3.591 20 30 GHEDRO CC(C)(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1CC[NH+]1CCCCCC1 ZINC001287022007 1048578188 /nfs/dbraw/zinc/57/81/88/1048578188.db2.gz PMSMCVVAHKBWQD-UHFFFAOYSA-N 1 0 386.588 3.873 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)OC1CCCC1 ZINC001306682421 1048810779 /nfs/dbraw/zinc/81/07/79/1048810779.db2.gz GWVJDDKKIGMACF-UHFFFAOYSA-N 1 0 396.539 3.859 20 30 GHEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001306801978 1048904482 /nfs/dbraw/zinc/90/44/82/1048904482.db2.gz DKZSXFSOMADPQZ-AERCQKQUSA-N 1 0 392.551 3.783 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(C)(C#N)CC1 ZINC001287918789 1048946264 /nfs/dbraw/zinc/94/62/64/1048946264.db2.gz YVICETJTAWSHKI-UHFFFAOYSA-N 1 0 384.503 3.554 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNc1nn2c(nnc2C(F)(F)F)c(C)c1C)C(C)C ZINC001306926324 1048963017 /nfs/dbraw/zinc/96/30/17/1048963017.db2.gz YELHAAPMBIFHPZ-HNNXBMFYSA-N 1 0 396.461 3.870 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C)C2)C1 ZINC001307038938 1049031616 /nfs/dbraw/zinc/03/16/16/1049031616.db2.gz OBZCDSIZQFVUMU-ICSRJNTNSA-N 1 0 392.551 3.785 20 30 GHEDRO COc1ccc(C[C@](C)([NH3+])CNc2nccc(Oc3cccc(C#N)c3)n2)cc1 ZINC001307070676 1049053162 /nfs/dbraw/zinc/05/31/62/1049053162.db2.gz AONKXAQWOSACAW-QFIPXVFZSA-N 1 0 389.459 3.521 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001307163490 1049112261 /nfs/dbraw/zinc/11/22/61/1049112261.db2.gz UXUFCGSLMJOEPQ-INIZCTEOSA-N 1 0 393.384 3.895 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC001288607353 1049158143 /nfs/dbraw/zinc/15/81/43/1049158143.db2.gz PDYRDLDMMOMREZ-KPFFTGBYSA-N 1 0 378.524 3.536 20 30 GHEDRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCCC1 ZINC001288698363 1049203082 /nfs/dbraw/zinc/20/30/82/1049203082.db2.gz NLWNJKBDUAHCHB-SFHVURJKSA-N 1 0 395.555 3.525 20 30 GHEDRO CCCCCCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC001307603283 1049442079 /nfs/dbraw/zinc/44/20/79/1049442079.db2.gz HJNWSUMFEOUULR-UHFFFAOYSA-N 1 0 382.570 3.752 20 30 GHEDRO CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC001307658240 1049484118 /nfs/dbraw/zinc/48/41/18/1049484118.db2.gz ZCGAZSOLTZITLF-FQEVSTJZSA-N 1 0 382.895 3.529 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001289909320 1049676952 /nfs/dbraw/zinc/67/69/52/1049676952.db2.gz NKRVXRXALPRXBJ-SFHVURJKSA-N 1 0 383.544 3.506 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001307947659 1049716108 /nfs/dbraw/zinc/71/61/08/1049716108.db2.gz OHVHRNDOHJMFBE-SRXHXZOOSA-N 1 0 383.536 3.982 20 30 GHEDRO CCC(O)(CC)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC001307980174 1049736783 /nfs/dbraw/zinc/73/67/83/1049736783.db2.gz UFLMQTGZAAGZMA-UHFFFAOYSA-N 1 0 388.556 3.903 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCc3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC001308011347 1049761105 /nfs/dbraw/zinc/76/11/05/1049761105.db2.gz OCOCUROVJXWFIO-UHFFFAOYSA-N 1 0 375.394 3.822 20 30 GHEDRO C[C@H](COCC1CCCCC1)[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001308093993 1049840389 /nfs/dbraw/zinc/84/03/89/1049840389.db2.gz YYUHGMOTJSXJRH-IDPGXWOASA-N 1 0 377.573 3.881 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)C(C)C ZINC001308096411 1049843138 /nfs/dbraw/zinc/84/31/38/1049843138.db2.gz IWUNTAAMPDLATM-UHFFFAOYSA-N 1 0 393.487 3.620 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001308146246 1049884232 /nfs/dbraw/zinc/88/42/32/1049884232.db2.gz VHGNERDGDFCTIQ-PVAVHDDUSA-N 1 0 375.900 3.677 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)cc1 ZINC001308198225 1049909830 /nfs/dbraw/zinc/90/98/30/1049909830.db2.gz QUJQXAJKNNDTKT-UHFFFAOYSA-N 1 0 376.548 3.790 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001308385790 1049964144 /nfs/dbraw/zinc/96/41/44/1049964144.db2.gz RHSWVKRKADLMFM-GOSISDBHSA-N 1 0 399.336 3.755 20 30 GHEDRO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001290998945 1049967201 /nfs/dbraw/zinc/96/72/01/1049967201.db2.gz IHRIJXWXSDHNDX-QZTJIDSGSA-N 1 0 394.567 3.887 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291013116 1049971605 /nfs/dbraw/zinc/97/16/05/1049971605.db2.gz JIGAOWBMRKXUSM-QRVBRYPASA-N 1 0 388.604 3.973 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(C3CCC3)nnc2N2CCC(C#N)CC2)C1 ZINC001291013989 1049971751 /nfs/dbraw/zinc/97/17/51/1049971751.db2.gz WBYJLMXOCBVWPF-ROUUACIJSA-N 1 0 384.572 3.654 20 30 GHEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC001308794530 1050096789 /nfs/dbraw/zinc/09/67/89/1050096789.db2.gz WKTHNWLCUOQSLX-HXUWFJFHSA-N 1 0 387.487 3.718 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1(C)C ZINC001308891178 1050142460 /nfs/dbraw/zinc/14/24/60/1050142460.db2.gz MHNHVTOWAHSXLX-UXHICEINSA-N 1 0 398.551 3.808 20 30 GHEDRO CCOC(=O)c1sc(CC2CC[NH+](CC#Cc3ccccc3)CC2)nc1C ZINC001308916970 1050166354 /nfs/dbraw/zinc/16/63/54/1050166354.db2.gz DBMIKFOKYGKPLF-UHFFFAOYSA-N 1 0 382.529 3.934 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001308957760 1050217495 /nfs/dbraw/zinc/21/74/95/1050217495.db2.gz FQHYIITVAJSZBF-WOJBJXKFSA-N 1 0 381.451 3.978 20 30 GHEDRO CCn1c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc2ccccc21 ZINC001328672077 1050587164 /nfs/dbraw/zinc/58/71/64/1050587164.db2.gz SIRCTCMWJNUKBU-UHFFFAOYSA-N 1 0 386.499 3.927 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)cc1OC ZINC001328771322 1050631754 /nfs/dbraw/zinc/63/17/54/1050631754.db2.gz MHQNJEWLBNZZRU-CQSZACIVSA-N 1 0 396.915 3.870 20 30 GHEDRO CN1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140964 1050732058 /nfs/dbraw/zinc/73/20/58/1050732058.db2.gz IRCYNUCAQCDNFZ-DYESRHJHSA-N 1 0 382.533 3.621 20 30 GHEDRO Cc1cc(-c2nnc([C@H](C)C[NH+]3CCC(C)CC3)o2)nn1-c1cccc(C#N)c1 ZINC001329264057 1050763014 /nfs/dbraw/zinc/76/30/14/1050763014.db2.gz UHPKCNDGSVVNEN-MRXNPFEDSA-N 1 0 390.491 3.938 20 30 GHEDRO Cc1cccc(S(=O)(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001309616656 1050865601 /nfs/dbraw/zinc/86/56/01/1050865601.db2.gz ZWRZELIJCOJLOL-FQEVSTJZSA-N 1 0 397.544 3.540 20 30 GHEDRO CC(C)[NH+]1CCC(CCNS(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC001309728358 1050941732 /nfs/dbraw/zinc/94/17/32/1050941732.db2.gz GDFXWVPPWMDDNC-UHFFFAOYSA-N 1 0 391.562 3.562 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058529 1050948487 /nfs/dbraw/zinc/94/84/87/1050948487.db2.gz BSEXACKRLKNCDP-MOPGFXCFSA-N 1 0 399.564 3.901 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)CC1 ZINC001310106358 1051159077 /nfs/dbraw/zinc/15/90/77/1051159077.db2.gz ZVUKAZLLIILJJF-UHFFFAOYSA-N 1 0 393.535 3.697 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1 ZINC001310857583 1051657668 /nfs/dbraw/zinc/65/76/68/1051657668.db2.gz DGMWGQNXDVAXCW-LLVKDONJSA-N 1 0 384.292 3.746 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Nc2ccnc(C#N)c2)C1 ZINC001311070582 1051824922 /nfs/dbraw/zinc/82/49/22/1051824922.db2.gz RMWAPNJFNLIMKB-CALCHBBNSA-N 1 0 377.492 3.753 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)C[C@H]2C1 ZINC001333929758 1051871660 /nfs/dbraw/zinc/87/16/60/1051871660.db2.gz HYKSGCHATWKTQN-GUDVDZBRSA-N 1 0 393.487 3.533 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C[C@H]2C1 ZINC001333932637 1051871700 /nfs/dbraw/zinc/87/17/00/1051871700.db2.gz VKGIDQSLOHNSJX-IPMKNSEASA-N 1 0 393.487 3.533 20 30 GHEDRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1 ZINC001311159821 1051913533 /nfs/dbraw/zinc/91/35/33/1051913533.db2.gz AUXVLOUUXWRRPM-UHFFFAOYSA-N 1 0 389.503 3.509 20 30 GHEDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC001335315546 1052071034 /nfs/dbraw/zinc/07/10/34/1052071034.db2.gz YUMFGDXLFMFMFS-IIBYNOLFSA-N 1 0 380.492 3.816 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)C[C@H]2C1 ZINC001336095135 1052227074 /nfs/dbraw/zinc/22/70/74/1052227074.db2.gz LSAWFGGMWCWEST-TVFCKZIOSA-N 1 0 394.441 3.533 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC(C[NH+]4CCN(C)CC4)CC3)c2c1 ZINC001336411179 1052270466 /nfs/dbraw/zinc/27/04/66/1052270466.db2.gz ZXTRXRQIGIPQCJ-UHFFFAOYSA-N 1 0 397.954 3.532 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001311639120 1052293903 /nfs/dbraw/zinc/29/39/03/1052293903.db2.gz WCHXEWDRKCBXPH-MAUKXSAKSA-N 1 0 392.341 3.545 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001311998927 1052521455 /nfs/dbraw/zinc/52/14/55/1052521455.db2.gz ZJTSYLKMCABNJP-HXOBKFHXSA-N 1 0 388.515 3.550 20 30 GHEDRO CSc1ccc(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1C#N ZINC001312165719 1052609565 /nfs/dbraw/zinc/60/95/65/1052609565.db2.gz JEHPJLOVPVEKSK-UHFFFAOYSA-N 1 0 388.581 3.837 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001312616282 1052813373 /nfs/dbraw/zinc/81/33/73/1052813373.db2.gz MGQJLTGUYOORDJ-KOQKOIQBSA-N 1 0 377.573 3.510 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001312895358 1052904987 /nfs/dbraw/zinc/90/49/87/1052904987.db2.gz VISQWDSGQDADOT-UHFFFAOYSA-N 1 0 382.533 3.721 20 30 GHEDRO C=C[C@H](C)ONC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312947928 1052918497 /nfs/dbraw/zinc/91/84/97/1052918497.db2.gz UYAKRAVXAWNNDW-ORYQWCPZSA-N 1 0 383.467 3.599 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313137205 1052966687 /nfs/dbraw/zinc/96/66/87/1052966687.db2.gz LBEXRXKAUKLFML-PZJWPPBQSA-N 1 0 381.520 3.788 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001342329971 1053111287 /nfs/dbraw/zinc/11/12/87/1053111287.db2.gz APPUCXBWHDLBHC-HXUWFJFHSA-N 1 0 392.551 3.659 20 30 GHEDRO [NH3+][C@@H](C(=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC001342433376 1053166720 /nfs/dbraw/zinc/16/67/20/1053166720.db2.gz ZPCNCGGIBCKOQQ-YPMHNXCESA-N 1 0 384.295 3.598 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342727533 1053324183 /nfs/dbraw/zinc/32/41/83/1053324183.db2.gz OWVSRZLHPKXDCT-UHFFFAOYSA-N 1 0 392.551 3.898 20 30 GHEDRO C=C(C)Cn1c(-c2sc(C)nc2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001342752296 1053336794 /nfs/dbraw/zinc/33/67/94/1053336794.db2.gz BFWMLOKKICWPDT-QGZVFWFLSA-N 1 0 388.585 3.763 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001342887795 1053411208 /nfs/dbraw/zinc/41/12/08/1053411208.db2.gz VASRQOCADOPPPG-GGPKGHCWSA-N 1 0 382.556 3.568 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001343233043 1053637209 /nfs/dbraw/zinc/63/72/09/1053637209.db2.gz LHKDMBXHHIFEBJ-GGPKGHCWSA-N 1 0 387.572 3.652 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1Cc1cccs1 ZINC001343532625 1053848273 /nfs/dbraw/zinc/84/82/73/1053848273.db2.gz YIDQSKLBRWPMIK-OOKSDGMUSA-N 1 0 398.580 3.542 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001343543334 1053859821 /nfs/dbraw/zinc/85/98/21/1053859821.db2.gz QSEMJZFQBOKZHU-QFIPXVFZSA-N 1 0 393.539 3.516 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2-c2ccco2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001343658720 1053953629 /nfs/dbraw/zinc/95/36/29/1053953629.db2.gz MHNRXVPSFWZXAK-UHFFFAOYSA-N 1 0 396.495 3.736 20 30 GHEDRO C=C(C)Cn1c(-c2cc3c(cccc3O)[nH]2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001343747831 1053996702 /nfs/dbraw/zinc/99/67/02/1053996702.db2.gz GCSMYUIYVQQLRW-UHFFFAOYSA-N 1 0 394.523 3.675 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001343821845 1054049508 /nfs/dbraw/zinc/04/95/08/1054049508.db2.gz ASFHLRVUUGCQTQ-QUCCMNQESA-N 1 0 381.524 3.711 20 30 GHEDRO COc1cccc(N2CCC([NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC001318370642 1054593833 /nfs/dbraw/zinc/59/38/33/1054593833.db2.gz DZVDEQXEUWQWEJ-UHFFFAOYSA-N 1 0 378.520 3.804 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001318454747 1054651261 /nfs/dbraw/zinc/65/12/61/1054651261.db2.gz LOTIQYVGFMEYRW-RBUKOAKNSA-N 1 0 379.464 3.740 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCc2cccc(OCC#N)c2)c1 ZINC001318463232 1054658244 /nfs/dbraw/zinc/65/82/44/1054658244.db2.gz YDFVYFKSXYTJQW-QFIPXVFZSA-N 1 0 377.488 3.568 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)cc1OC ZINC001318502401 1054682530 /nfs/dbraw/zinc/68/25/30/1054682530.db2.gz GISTUSGRNZEWEF-IRXDYDNUSA-N 1 0 397.357 3.985 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1CC1CC1 ZINC001318502649 1054682828 /nfs/dbraw/zinc/68/28/28/1054682828.db2.gz KXRINFUPPVFCDN-UHFFFAOYSA-N 1 0 378.520 3.591 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1oc(C2CC2)nc1C(F)F ZINC001345467801 1055052593 /nfs/dbraw/zinc/05/25/93/1055052593.db2.gz YKZRFKGZOZCXCU-UHFFFAOYSA-N 1 0 388.418 3.565 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)o1 ZINC001320325791 1055754271 /nfs/dbraw/zinc/75/42/71/1055754271.db2.gz AVANQJBTLJWCQS-KRWDZBQOSA-N 1 0 376.416 3.589 20 30 GHEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC001320428078 1055799286 /nfs/dbraw/zinc/79/92/86/1055799286.db2.gz RHYBVYNADQHKPN-BBRMVZONSA-N 1 0 376.522 3.911 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300449338 1056127571 /nfs/dbraw/zinc/12/75/71/1056127571.db2.gz QRTODTFODXSBGW-IBGZPJMESA-N 1 0 390.535 3.539 20 30 GHEDRO N#CC(CC[N@H+]1CCC[C@H](C(=O)NC2CC2)C1)(c1ccccc1)c1ccccc1 ZINC001321224646 1056167032 /nfs/dbraw/zinc/16/70/32/1056167032.db2.gz RGPNNESBOVKVMK-FQEVSTJZSA-N 1 0 387.527 3.877 20 30 GHEDRO CCc1cc(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1Cl ZINC001321651276 1056352728 /nfs/dbraw/zinc/35/27/28/1056352728.db2.gz VISVOTTXFQZREF-UHFFFAOYSA-N 1 0 399.922 3.743 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(-c3ccc(Br)cc3Cl)o2)CC1 ZINC001322370637 1056657853 /nfs/dbraw/zinc/65/78/53/1056657853.db2.gz VBPRSEGRBBCFPW-UHFFFAOYSA-N 1 0 380.673 3.965 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001300789773 1057029904 /nfs/dbraw/zinc/02/99/04/1057029904.db2.gz XYLUETPBKAKAIW-WZONZLPQSA-N 1 0 395.551 3.676 20 30 GHEDRO [NH3+]C[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000848439140 1057089157 /nfs/dbraw/zinc/08/91/57/1057089157.db2.gz LWIPAFKUHOLMEJ-JWXWKVPASA-N 1 0 394.237 3.743 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)cc(OC)c1O ZINC001324795654 1057228737 /nfs/dbraw/zinc/22/87/37/1057228737.db2.gz PKHXGRYSKGYJKL-UHFFFAOYSA-N 1 0 382.382 3.755 20 30 GHEDRO C=CCn1c(C[C@@H](C)SCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001356019199 1057358527 /nfs/dbraw/zinc/35/85/27/1057358527.db2.gz KBMRSOPSAIIXNW-QGZVFWFLSA-N 1 0 377.602 3.603 20 30 GHEDRO N#CCCn1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001326214475 1057435691 /nfs/dbraw/zinc/43/56/91/1057435691.db2.gz WJECJYKZSNAJNF-IHWFROFDSA-N 1 0 392.507 3.504 20 30 GHEDRO CS(=O)(=O)Nc1ccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)cc1 ZINC000849062445 1057573491 /nfs/dbraw/zinc/57/34/91/1057573491.db2.gz JQWHZYBNYRYPNC-UHFFFAOYSA-N 1 0 386.521 3.512 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]Cc2nc(C(F)(F)F)n[nH]2)cc1 ZINC000849092679 1057591634 /nfs/dbraw/zinc/59/16/34/1057591634.db2.gz ZIFHTYHTYKQORI-UHFFFAOYSA-N 1 0 388.397 3.890 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)C[NH+]2CCCCC2)s1 ZINC001441181985 1058720125 /nfs/dbraw/zinc/72/01/25/1058720125.db2.gz YBKVIHIVKVWIOZ-CYBMUJFWSA-N 1 0 388.002 3.829 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CN(CC)C(=O)OC(C)(C)C)c1 ZINC001441190522 1058722622 /nfs/dbraw/zinc/72/26/22/1058722622.db2.gz UIUHBSLUIVUOON-UHFFFAOYSA-N 1 0 375.513 3.890 20 30 GHEDRO CC[C@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001441233758 1058729100 /nfs/dbraw/zinc/72/91/00/1058729100.db2.gz AOYGJICSTCSXRC-FDDCHVKYSA-N 1 0 375.516 3.690 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001338693846 1058734570 /nfs/dbraw/zinc/73/45/70/1058734570.db2.gz QLTRCGYYUWRHOP-HOJAQTOUSA-N 1 0 385.556 3.549 20 30 GHEDRO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001338881055 1058853693 /nfs/dbraw/zinc/85/36/93/1058853693.db2.gz WPMPKQBCUCZMQN-UHFFFAOYSA-N 1 0 384.528 3.520 20 30 GHEDRO C=CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CCC[C@H](C#N)C1 ZINC001339057571 1058942345 /nfs/dbraw/zinc/94/23/45/1058942345.db2.gz RRZMBFARLPXXIB-HXUWFJFHSA-N 1 0 390.535 3.584 20 30 GHEDRO C=CCn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CCC2(CCC2)C1 ZINC001339108805 1058963216 /nfs/dbraw/zinc/96/32/16/1058963216.db2.gz JFLDXXAKJZYTFY-UHFFFAOYSA-N 1 0 398.555 3.514 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001442721216 1058998713 /nfs/dbraw/zinc/99/87/13/1058998713.db2.gz DIZNGKVYZVYEOB-ZROIWOOFSA-N 1 0 377.488 3.896 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N3CCC[C@H](CC#N)C3)n2C)C1 ZINC001339284137 1059067700 /nfs/dbraw/zinc/06/77/00/1059067700.db2.gz SRNLMBREABTGNO-JBYIUTFZSA-N 1 0 396.514 3.577 20 30 GHEDRO CCn1c(CC(C)(C)C#N)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001339760657 1059450224 /nfs/dbraw/zinc/45/02/24/1059450224.db2.gz LEJZUXYCZYDRCU-SFHVURJKSA-N 1 0 386.588 3.871 20 30 GHEDRO Cn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001340117464 1059707472 /nfs/dbraw/zinc/70/74/72/1059707472.db2.gz GXTFWPMUZOVKHC-FQEVSTJZSA-N 1 0 376.508 3.677 20 30 GHEDRO C=CCC[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)c1ccccc1 ZINC001545981644 1059712750 /nfs/dbraw/zinc/71/27/50/1059712750.db2.gz YQPAVGGVJNNPRR-LJQANCHMSA-N 1 0 392.503 3.741 20 30 GHEDRO CC[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001447502892 1059974074 /nfs/dbraw/zinc/97/40/74/1059974074.db2.gz ZHPZXTONGXTXCC-AUSIDOKSSA-N 1 0 375.516 3.860 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001450778393 1060684679 /nfs/dbraw/zinc/68/46/79/1060684679.db2.gz ABIAUXUBDJUNHF-OXQOHEQNSA-N 1 0 386.417 3.836 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC001451459526 1060779116 /nfs/dbraw/zinc/77/91/16/1060779116.db2.gz MUOHTAQKCBSQMX-HXUWFJFHSA-N 1 0 377.463 3.616 20 30 GHEDRO CCN(c1nnc([C@H](C)CCC#N)n1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001341754957 1060863578 /nfs/dbraw/zinc/86/35/78/1060863578.db2.gz IONZDSXQEZXJEP-GGPKGHCWSA-N 1 0 380.540 3.884 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001453642276 1061173210 /nfs/dbraw/zinc/17/32/10/1061173210.db2.gz OKDLWIHLDLOINV-DOTOQJQBSA-N 1 0 399.963 3.546 20 30 GHEDRO C=C(C)Cn1c(CCn2ccnc2C)nnc1N1CC[C@@](F)(c2ccccc2)C1 ZINC001345983947 1061261337 /nfs/dbraw/zinc/26/13/37/1061261337.db2.gz KDPBKCQJDVFKRC-QFIPXVFZSA-N 1 0 394.498 3.677 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2CC2CC2)CC1 ZINC001346172081 1061424251 /nfs/dbraw/zinc/42/42/51/1061424251.db2.gz QDASXVBSNFYQKQ-HSZRJFAPSA-N 1 0 396.583 3.724 20 30 GHEDRO C=C(C)Cn1c(CCCCC#N)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001346228488 1061463457 /nfs/dbraw/zinc/46/34/57/1061463457.db2.gz JKBBUOTZTREFOM-UYAOXDASSA-N 1 0 382.556 3.544 20 30 GHEDRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC001454646946 1061900568 /nfs/dbraw/zinc/90/05/68/1061900568.db2.gz RWMDIIKCVQGYCX-HDICACEKSA-N 1 0 381.863 3.923 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001435655803 1062816908 /nfs/dbraw/zinc/81/69/08/1062816908.db2.gz CJNQRAPKJPPTMZ-GUDVDZBRSA-N 1 0 394.906 3.637 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC001435996134 1063074669 /nfs/dbraw/zinc/07/46/69/1063074669.db2.gz ZIZDIWXNBVCGHA-XMSQKQJNSA-N 1 0 379.504 3.598 20 30 GHEDRO C[NH+](C)CCOc1cc(CNc2cc(C(F)(F)F)c(F)cc2C#N)ccn1 ZINC001458285070 1063722400 /nfs/dbraw/zinc/72/24/00/1063722400.db2.gz HINBBCTUJZJFJQ-UHFFFAOYSA-N 1 0 382.361 3.664 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N(C)CCCC[NH+]3CCCCC3)c2c1 ZINC001458556517 1063889926 /nfs/dbraw/zinc/88/99/26/1063889926.db2.gz LOGXQQRYXBHAKM-UHFFFAOYSA-N 1 0 382.508 3.826 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)CC1 ZINC001349725369 1063891419 /nfs/dbraw/zinc/89/14/19/1063891419.db2.gz WLQHOKSPOFKGNU-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)cc1OC ZINC001437875312 1063945639 /nfs/dbraw/zinc/94/56/39/1063945639.db2.gz QPABHUNMJIXCPX-FLMNEEFCSA-N 1 0 386.536 3.995 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001350073891 1063980523 /nfs/dbraw/zinc/98/05/23/1063980523.db2.gz XJJMQEOQAIBYKM-SFHVURJKSA-N 1 0 383.517 3.831 20 30 GHEDRO CC(C)[C@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC001459516766 1064117751 /nfs/dbraw/zinc/11/77/51/1064117751.db2.gz LZTWJILGPHNBFV-SFHVURJKSA-N 1 0 380.454 3.931 20 30 GHEDRO COc1ccccc1N=C1SCCN1C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001350598099 1064135944 /nfs/dbraw/zinc/13/59/44/1064135944.db2.gz LZNBOSJCGRPWCN-SFHVURJKSA-N 1 0 395.528 3.780 20 30 GHEDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001459674256 1064163215 /nfs/dbraw/zinc/16/32/15/1064163215.db2.gz AJVZLEJVJRRPRH-UHFFFAOYSA-N 1 0 393.422 3.813 20 30 GHEDRO CS[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1N(C)C ZINC001459891394 1064259358 /nfs/dbraw/zinc/25/93/58/1064259358.db2.gz GLOACOHJYYAPKW-FCHUYYIVSA-N 1 0 379.573 3.864 20 30 GHEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459987772 1064323694 /nfs/dbraw/zinc/32/36/94/1064323694.db2.gz IYRBDYHJEXRRKV-MAUKXSAKSA-N 1 0 380.454 3.978 20 30 GHEDRO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](c2ccc(Cl)cc2)C(CC)CC)CC1 ZINC001460045957 1064372005 /nfs/dbraw/zinc/37/20/05/1064372005.db2.gz JIYKWRLTFLPVIG-QFIPXVFZSA-N 1 0 389.971 3.527 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC001463564249 1064463964 /nfs/dbraw/zinc/46/39/64/1064463964.db2.gz JYBNZLUNPDMXPU-GMAHTHKFSA-N 1 0 391.515 3.721 20 30 GHEDRO C=CCn1c(C2CC=CC2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001351731430 1064579806 /nfs/dbraw/zinc/57/98/06/1064579806.db2.gz BWMLJVRZYNZBQF-UHFFFAOYSA-N 1 0 383.462 3.751 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC001351789997 1064602935 /nfs/dbraw/zinc/60/29/35/1064602935.db2.gz VYRYTVAEYOVVGK-UHFFFAOYSA-N 1 0 394.540 3.932 20 30 GHEDRO C=C(C)CCC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463842442 1064663416 /nfs/dbraw/zinc/66/34/16/1064663416.db2.gz WCHXXKBALRIRBG-UHFFFAOYSA-N 1 0 383.458 3.690 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001351968785 1064736783 /nfs/dbraw/zinc/73/67/83/1064736783.db2.gz UAJBBMHEEDOJFW-INIZCTEOSA-N 1 0 379.499 3.822 20 30 GHEDRO C#C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000847142118 1064765159 /nfs/dbraw/zinc/76/51/59/1064765159.db2.gz NASMVSDUGULJKQ-IBGZPJMESA-N 1 0 396.535 3.768 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001464306104 1064949354 /nfs/dbraw/zinc/94/93/54/1064949354.db2.gz PZYXZTIUSGCTFU-UHFFFAOYSA-N 1 0 385.411 3.689 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847344838 1065098272 /nfs/dbraw/zinc/09/82/72/1065098272.db2.gz WUBDRGUQDGHZOM-SIXWZSSISA-N 1 0 377.891 3.527 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](O)c1ccccc1C(F)(F)F)C(C)C ZINC001464871322 1065253034 /nfs/dbraw/zinc/25/30/34/1065253034.db2.gz OFGVKTMRMZGDPL-ZWKOTPCHSA-N 1 0 384.442 3.554 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1=C(c2ccccc2)SCCO1)C(C)C ZINC001464870569 1065253598 /nfs/dbraw/zinc/25/35/98/1065253598.db2.gz MLNQHCITDICBEU-IBGZPJMESA-N 1 0 386.561 3.933 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC001464960405 1065292530 /nfs/dbraw/zinc/29/25/30/1065292530.db2.gz STDUYTIOCJRAQI-UHFFFAOYSA-N 1 0 380.492 3.795 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)s1 ZINC001465060859 1065361370 /nfs/dbraw/zinc/36/13/70/1065361370.db2.gz CZIJUZFWKBSIHH-JKSUJKDBSA-N 1 0 379.574 3.999 20 30 GHEDRO Cn1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1-c1ccccc1 ZINC001352871685 1065396927 /nfs/dbraw/zinc/39/69/27/1065396927.db2.gz BHTVUVGBXLRUID-UHFFFAOYSA-N 1 0 386.499 3.768 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300293809 1065943009 /nfs/dbraw/zinc/94/30/09/1065943009.db2.gz SEBKCXWKTJTVSL-OALUTQOASA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300315304 1065976585 /nfs/dbraw/zinc/97/65/85/1065976585.db2.gz VCLNDISODAJCDX-LJQANCHMSA-N 1 0 399.608 3.900 20 30 GHEDRO Cc1cccnc1/C=C\C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746209 1066016081 /nfs/dbraw/zinc/01/60/81/1066016081.db2.gz ANNIRJNFWPBYFR-KTKRTIGZSA-N 1 0 375.472 3.752 20 30 GHEDRO Cc1ccncc1/C=C\C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746327 1066017273 /nfs/dbraw/zinc/01/72/73/1066017273.db2.gz CTXKCJVBNDHDNC-FPLPWBNLSA-N 1 0 375.472 3.752 20 30 GHEDRO Cc1nc(C2CC2)oc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747313 1066023399 /nfs/dbraw/zinc/02/33/99/1066023399.db2.gz GHJPPZIYZDSTNG-UHFFFAOYSA-N 1 0 379.460 3.823 20 30 GHEDRO C[C@H]1CCCC[C@H]1OCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748536 1066028225 /nfs/dbraw/zinc/02/82/25/1066028225.db2.gz CABQYZDZRVFULQ-PZJWPPBQSA-N 1 0 384.520 3.931 20 30 GHEDRO C=CCOc1cccnc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748160 1066031115 /nfs/dbraw/zinc/03/11/15/1066031115.db2.gz ZCMPDUQASVQDDH-UHFFFAOYSA-N 1 0 391.471 3.609 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001300340138 1066040375 /nfs/dbraw/zinc/04/03/75/1066040375.db2.gz VEXCHBINNXPMLM-UHFFFAOYSA-N 1 0 385.581 3.631 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC001466413220 1066140346 /nfs/dbraw/zinc/14/03/46/1066140346.db2.gz ZJSSMPCDHWZDOW-UHFFFAOYSA-N 1 0 382.411 3.515 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=S)NCC[NH+]3CCCCC3)n2)s1 ZINC001200421547 1066147900 /nfs/dbraw/zinc/14/79/00/1066147900.db2.gz LLPQMNDNNCAQQG-UHFFFAOYSA-N 1 0 377.564 3.516 20 30 GHEDRO C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001300423345 1066296795 /nfs/dbraw/zinc/29/67/95/1066296795.db2.gz MUIHRTYPVVNULV-IBGZPJMESA-N 1 0 397.592 3.823 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300440929 1066339680 /nfs/dbraw/zinc/33/96/80/1066339680.db2.gz BMIOAFCRWGXOJN-SFHVURJKSA-N 1 0 379.508 3.737 20 30 GHEDRO C#C[C@H](NC(=O)NCCCCCCC[NH+](C)C)c1ccc(Br)cc1 ZINC001477640288 1078502691 /nfs/dbraw/zinc/50/26/91/1078502691.db2.gz JFBODLKWNLHIQT-SFHVURJKSA-N 1 0 394.357 3.935 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC001467582622 1067370895 /nfs/dbraw/zinc/37/08/95/1067370895.db2.gz NXFJSVNQLNAGIH-NZSAHSFTSA-N 1 0 389.540 3.741 20 30 GHEDRO CC(C)Cn1c(C2CCN(CCC#N)CC2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001358096157 1067396942 /nfs/dbraw/zinc/39/69/42/1067396942.db2.gz CAJARNDEIPIKHY-HXUWFJFHSA-N 1 0 384.572 3.654 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@]2(C1)OCc1ccccc12)C(C)C ZINC001467660495 1067404830 /nfs/dbraw/zinc/40/48/30/1067404830.db2.gz QQNZPNPASGGROI-LADGPHEKSA-N 1 0 397.563 3.916 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC001467903889 1067521554 /nfs/dbraw/zinc/52/15/54/1067521554.db2.gz RODQRHDVXUCYOE-UHFFFAOYSA-N 1 0 378.520 3.914 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CC(C)(C)C[NH+]1CCCC1 ZINC001358882529 1067594405 /nfs/dbraw/zinc/59/44/05/1067594405.db2.gz BUSUMBSRIFWSTK-SFHVURJKSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358883331 1067594821 /nfs/dbraw/zinc/59/48/21/1067594821.db2.gz SOAGNFFFCHXAEI-IHPCNDPISA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001358893709 1067600182 /nfs/dbraw/zinc/60/01/82/1067600182.db2.gz ZYEDEMCQKSLRLA-NQIIRXRSSA-N 1 0 397.542 3.730 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001358893351 1067600424 /nfs/dbraw/zinc/60/04/24/1067600424.db2.gz SJEYDRRZAIARPR-NHCUHLMSSA-N 1 0 393.579 3.900 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001358894682 1067601723 /nfs/dbraw/zinc/60/17/23/1067601723.db2.gz URMCUNRDIUENEJ-FGSXEWAUSA-N 1 0 399.608 3.899 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001358895311 1067601815 /nfs/dbraw/zinc/60/18/15/1067601815.db2.gz GZZNAWCMSOPWDE-HXUWFJFHSA-N 1 0 393.579 3.786 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001358894684 1067601997 /nfs/dbraw/zinc/60/19/97/1067601997.db2.gz URMCUNRDIUENEJ-NPPFBWRTSA-N 1 0 399.608 3.899 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001358895671 1067602543 /nfs/dbraw/zinc/60/25/43/1067602543.db2.gz OHBFXMVYAXEHMY-OALUTQOASA-N 1 0 385.600 3.979 20 30 GHEDRO C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001358907001 1067606745 /nfs/dbraw/zinc/60/67/45/1067606745.db2.gz AAAQOFGLAYDOEZ-SFHVURJKSA-N 1 0 395.551 3.961 20 30 GHEDRO C#CCCCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001358931000 1067618066 /nfs/dbraw/zinc/61/80/66/1067618066.db2.gz LJLNHKJNUZYCSZ-UHFFFAOYSA-N 1 0 393.579 3.911 20 30 GHEDRO C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001358932246 1067618089 /nfs/dbraw/zinc/61/80/89/1067618089.db2.gz DMYNPSYDZWARHE-UHFFFAOYSA-N 1 0 385.581 3.654 20 30 GHEDRO C#CCCCn1c(N2CC[N@@H+](CC)[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001358936311 1067619992 /nfs/dbraw/zinc/61/99/92/1067619992.db2.gz KDYQDZLNJQKGSY-HXUWFJFHSA-N 1 0 391.563 3.692 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001358990093 1067637274 /nfs/dbraw/zinc/63/72/74/1067637274.db2.gz AZBGQFITUCAGNF-JOCHJYFZSA-N 1 0 389.547 3.528 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359011157 1067651194 /nfs/dbraw/zinc/65/11/94/1067651194.db2.gz MKUXDVLZJNZUDN-GOSISDBHSA-N 1 0 399.970 3.714 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CCC[NH+]1CCC(C)CC1 ZINC001359017646 1067656323 /nfs/dbraw/zinc/65/63/23/1067656323.db2.gz MRMLBJSJRSKSRM-UHFFFAOYSA-N 1 0 397.542 3.741 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001359071361 1067671716 /nfs/dbraw/zinc/67/17/16/1067671716.db2.gz NPERMFGCIMUUGC-LAUBAEHRSA-N 1 0 383.565 3.731 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359108223 1067687747 /nfs/dbraw/zinc/68/77/47/1067687747.db2.gz GCDLJBZLLIDRRT-FQEVSTJZSA-N 1 0 383.540 3.696 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359114837 1067693669 /nfs/dbraw/zinc/69/36/69/1067693669.db2.gz BDGOCJOOSZQOBQ-FQEVSTJZSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359154699 1067713849 /nfs/dbraw/zinc/71/38/49/1067713849.db2.gz YPWYSIQSRCWPTE-SFHVURJKSA-N 1 0 377.964 3.828 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359163100 1067718340 /nfs/dbraw/zinc/71/83/40/1067718340.db2.gz QOVDNJVPQNXUDB-LJQANCHMSA-N 1 0 380.540 3.617 20 30 GHEDRO C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001359166929 1067720778 /nfs/dbraw/zinc/72/07/78/1067720778.db2.gz MKWSWVGSDOXWEY-MRXNPFEDSA-N 1 0 388.585 3.521 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359166657 1067720894 /nfs/dbraw/zinc/72/08/94/1067720894.db2.gz BWQZQLQFJKKBIE-FQEVSTJZSA-N 1 0 394.567 3.541 20 30 GHEDRO C[NH+]1CCC2(CCC(NC(=O)CCCCOc3cccc(C#N)c3)CC2)CC1 ZINC001468422386 1067726443 /nfs/dbraw/zinc/72/64/43/1067726443.db2.gz FZFDHIYJBZZBKU-UHFFFAOYSA-N 1 0 383.536 3.878 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@H]1CCCC1(F)F ZINC000849110063 1067733384 /nfs/dbraw/zinc/73/33/84/1067733384.db2.gz QRIYIKCOGKVLFU-QGZVFWFLSA-N 1 0 383.483 3.592 20 30 GHEDRO C=CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001359218105 1067794409 /nfs/dbraw/zinc/79/44/09/1067794409.db2.gz XMFFNYCJBAHRMM-QUCCMNQESA-N 1 0 395.551 3.517 20 30 GHEDRO C=CCCCn1c(Cc2ccncc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001359217962 1067794693 /nfs/dbraw/zinc/79/46/93/1067794693.db2.gz STWJMFQRJZPZDP-UHFFFAOYSA-N 1 0 382.556 3.541 20 30 GHEDRO C=CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359218103 1067794786 /nfs/dbraw/zinc/79/47/86/1067794786.db2.gz XMFFNYCJBAHRMM-AZUAARDMSA-N 1 0 395.551 3.517 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359236552 1067842181 /nfs/dbraw/zinc/84/21/81/1067842181.db2.gz QJYHBGDOIDEFEM-SFHVURJKSA-N 1 0 383.540 3.696 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001359237142 1067842986 /nfs/dbraw/zinc/84/29/86/1067842986.db2.gz MPPIXNAUQOKJIH-OAQYLSRUSA-N 1 0 388.519 3.627 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359242511 1067854337 /nfs/dbraw/zinc/85/43/37/1067854337.db2.gz HXVDXQBBGUTSMC-IBGZPJMESA-N 1 0 387.597 3.921 20 30 GHEDRO C=CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccsc1)[NH+](C)C)C1CC1 ZINC001359249542 1067897983 /nfs/dbraw/zinc/89/79/83/1067897983.db2.gz GVCUBEPJULRZGO-LJQANCHMSA-N 1 0 394.548 3.859 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCCC[C@@H]1CC)C1CC1 ZINC001359250098 1067900179 /nfs/dbraw/zinc/90/01/79/1067900179.db2.gz BFWLJSASOTXRPG-ICSRJNTNSA-N 1 0 387.572 3.939 20 30 GHEDRO C#Cc1cccc(N(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C(C)C)c1 ZINC000849543923 1067903164 /nfs/dbraw/zinc/90/31/64/1067903164.db2.gz GWBRCVFURCMTMX-XZOQPEGZSA-N 1 0 392.547 3.657 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(N(CC)c3ccccc3)cc2)CC1 ZINC001468880869 1067917092 /nfs/dbraw/zinc/91/70/92/1067917092.db2.gz RGORVHSIWMCAHJ-UHFFFAOYSA-N 1 0 390.531 3.741 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[NH+](C)C ZINC001359262743 1067925578 /nfs/dbraw/zinc/92/55/78/1067925578.db2.gz CPHUAMBWZKEYOW-KRWDZBQOSA-N 1 0 396.564 3.853 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCSC[C@@H]1C)C(C)C ZINC001359266389 1067928973 /nfs/dbraw/zinc/92/89/73/1067928973.db2.gz ZLZJQDKZNYEHAH-PKOBYXMFSA-N 1 0 389.613 3.796 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359269839 1067935417 /nfs/dbraw/zinc/93/54/17/1067935417.db2.gz RQCIMSGTRVLJAC-GOSISDBHSA-N 1 0 382.537 3.816 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001359270739 1067937894 /nfs/dbraw/zinc/93/78/94/1067937894.db2.gz AHOGNZKPLJUOJQ-UHFFFAOYSA-N 1 0 375.586 3.551 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359276309 1067945262 /nfs/dbraw/zinc/94/52/62/1067945262.db2.gz YJJJIRDPBQCZFR-PGRDOPGGSA-N 1 0 385.556 3.925 20 30 GHEDRO N#Cc1ccc([C@@H]2CN(C(=O)NCCCCCCC[NH+]3CCCC3)CCO2)cc1 ZINC001469136092 1067990972 /nfs/dbraw/zinc/99/09/72/1067990972.db2.gz OXFUYSLFMHTKDF-QFIPXVFZSA-N 1 0 398.551 3.687 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359470329 1068067092 /nfs/dbraw/zinc/06/70/92/1068067092.db2.gz VXNYJRDVXPMPBS-FUHWJXTLSA-N 1 0 394.548 3.905 20 30 GHEDRO CC(C)(Cn1c(C2CCC2)nnc1N(CCC#N)CC1CC1)[NH+]1CCCCC1 ZINC001359595517 1068100990 /nfs/dbraw/zinc/10/09/90/1068100990.db2.gz KSTOBYJOHGRMRI-UHFFFAOYSA-N 1 0 384.572 3.940 20 30 GHEDRO CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359607592 1068105697 /nfs/dbraw/zinc/10/56/97/1068105697.db2.gz VAVGDSKDJUUDQG-OAQYLSRUSA-N 1 0 390.535 3.848 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3ccccc3CC#N)cc2)C[C@H](C)O1 ZINC001469682191 1068306772 /nfs/dbraw/zinc/30/67/72/1068306772.db2.gz WCKYFIOLAYZPOX-KDURUIRLSA-N 1 0 391.515 3.634 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001360466366 1068517326 /nfs/dbraw/zinc/51/73/26/1068517326.db2.gz CBWRVWVRHUTJGE-KRWDZBQOSA-N 1 0 395.555 3.626 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001360480776 1068526714 /nfs/dbraw/zinc/52/67/14/1068526714.db2.gz GUDZIXMOQOAUDM-PXNSSMCTSA-N 1 0 384.572 3.766 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)[N@H+](C)C1CC1 ZINC001360535980 1068549039 /nfs/dbraw/zinc/54/90/39/1068549039.db2.gz JAOSVUMNTLMYNB-HNNXBMFYSA-N 1 0 398.942 3.821 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCc2ccc(C#N)c(F)c2)CCC1 ZINC001470206162 1068624753 /nfs/dbraw/zinc/62/47/53/1068624753.db2.gz PFKMLUHUMONIQP-UHFFFAOYSA-N 1 0 380.467 3.551 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC001478234319 1078777326 /nfs/dbraw/zinc/77/73/26/1078777326.db2.gz SEIUSSXYWCYHHU-GJZGRUSLSA-N 1 0 381.442 3.594 20 30 GHEDRO N#Cc1sccc1N1CC[NH+](CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001460415031 1068957167 /nfs/dbraw/zinc/95/71/67/1068957167.db2.gz IXNGZZDDNRQSIC-UHFFFAOYSA-N 1 0 381.423 3.883 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC001460576299 1069002983 /nfs/dbraw/zinc/00/29/83/1069002983.db2.gz DJOCWXDIEHCASZ-FQEVSTJZSA-N 1 0 382.552 3.662 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC001460639535 1069047955 /nfs/dbraw/zinc/04/79/55/1069047955.db2.gz ROLXRNKNSRIJAX-UHFFFAOYSA-N 1 0 393.878 3.626 20 30 GHEDRO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC001460718203 1069119240 /nfs/dbraw/zinc/11/92/40/1069119240.db2.gz JWUNIDLHFVCPSE-MSOLQXFVSA-N 1 0 386.442 3.844 20 30 GHEDRO Cc1cccc(-c2noc(CC3CC[NH+](Cc4ccc(C#N)s4)CC3)n2)n1 ZINC001460776979 1069171369 /nfs/dbraw/zinc/17/13/69/1069171369.db2.gz GHMZRBLEOFAQFB-UHFFFAOYSA-N 1 0 379.489 3.828 20 30 GHEDRO CCCCCCCNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001470876622 1072786061 /nfs/dbraw/zinc/78/60/61/1072786061.db2.gz QYMVPIMJBSBABB-JOCHJYFZSA-N 1 0 386.584 3.559 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001471317492 1073015517 /nfs/dbraw/zinc/01/55/17/1073015517.db2.gz ZSFLACQZAFIKSC-LJQANCHMSA-N 1 0 380.488 3.573 20 30 GHEDRO C#C[C@@H](NC(=O)N(CCC)CC[NH+](CC)CC)c1ccc(Br)cc1 ZINC001478896555 1079019289 /nfs/dbraw/zinc/01/92/89/1079019289.db2.gz PAVDTWWNZURKCI-GOSISDBHSA-N 1 0 394.357 3.887 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001478964891 1079042462 /nfs/dbraw/zinc/04/24/62/1079042462.db2.gz ZAAFQNAFCJTGTQ-LEWJYISDSA-N 1 0 377.573 3.655 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC001479089449 1079099429 /nfs/dbraw/zinc/09/94/29/1079099429.db2.gz VXJDAXWTAXTHPH-FUHWJXTLSA-N 1 0 383.323 3.931 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001472504942 1073518955 /nfs/dbraw/zinc/51/89/55/1073518955.db2.gz MZYUUAHJIJUVRT-FQEVSTJZSA-N 1 0 383.536 3.877 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3cc(F)c(C#N)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001472655393 1073599375 /nfs/dbraw/zinc/59/93/75/1073599375.db2.gz KXDILPFTEMFLNY-GJZGRUSLSA-N 1 0 398.438 3.827 20 30 GHEDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)o1 ZINC001473194394 1073845784 /nfs/dbraw/zinc/84/57/84/1073845784.db2.gz CRMOCUIHVOTPOD-JXFKEZNVSA-N 1 0 376.456 3.661 20 30 GHEDRO Cc1ccccc1CC[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001473500758 1073991361 /nfs/dbraw/zinc/99/13/61/1073991361.db2.gz LXDGCJPUJORCMN-UHFFFAOYSA-N 1 0 388.433 3.656 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C(C)(C)O)CC3)sc2C1 ZINC001473725042 1074109192 /nfs/dbraw/zinc/10/91/92/1074109192.db2.gz ZDSIRLBYPAEADB-AWEZNQCLSA-N 1 0 389.565 3.556 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC001473788560 1074142919 /nfs/dbraw/zinc/14/29/19/1074142919.db2.gz OLKTYSPMASKEBH-KNQAVFIVSA-N 1 0 385.511 3.761 20 30 GHEDRO C#CC[N@@H+](CCCOCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473797314 1074146986 /nfs/dbraw/zinc/14/69/86/1074146986.db2.gz OGGZQQSHYRRJTQ-UHFFFAOYSA-N 1 0 386.536 3.928 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2cccc(I)c2)CCCCC1 ZINC001473825309 1074161810 /nfs/dbraw/zinc/16/18/10/1074161810.db2.gz MEWDCBUNYIJDCJ-UHFFFAOYSA-N 1 0 396.272 3.546 20 30 GHEDRO C#C[C@H]1CCCC[N@H+]1CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001473868181 1074182532 /nfs/dbraw/zinc/18/25/32/1074182532.db2.gz KZABRIHWFNWJND-JTHBVZDNSA-N 1 0 396.556 3.892 20 30 GHEDRO Cc1ccc(CN2CCO[C@@H](C[NH2+]Cc3cccc(OCCCC#N)c3)C2)cc1 ZINC001474239388 1074304924 /nfs/dbraw/zinc/30/49/24/1074304924.db2.gz VOYWFOBFUAWZMB-DEOSSOPVSA-N 1 0 393.531 3.668 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)ncn2C ZINC001474270143 1074318937 /nfs/dbraw/zinc/31/89/37/1074318937.db2.gz WQMMPXJDCPIIIM-UHFFFAOYSA-N 1 0 384.277 3.638 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC001474404192 1074389079 /nfs/dbraw/zinc/38/90/79/1074389079.db2.gz JEXVHCUNPLJLAV-GOSISDBHSA-N 1 0 381.495 3.702 20 30 GHEDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(C#N)c(F)c3)nc12 ZINC001474425977 1074401254 /nfs/dbraw/zinc/40/12/54/1074401254.db2.gz OCCXJBSQVWKHHZ-UHFFFAOYSA-N 1 0 387.256 3.748 20 30 GHEDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c(C(F)(F)F)c1 ZINC001474502579 1074435548 /nfs/dbraw/zinc/43/55/48/1074435548.db2.gz JAYCOUCFSASYAY-UHFFFAOYSA-N 1 0 378.350 3.662 20 30 GHEDRO Cc1ccc(C2=NO[C@H](C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001474693960 1074518986 /nfs/dbraw/zinc/51/89/86/1074518986.db2.gz WUHUFTCHCFUVFX-QHCPKHFHSA-N 1 0 388.515 3.614 20 30 GHEDRO CC1(C)OCc2cc(C[N@@H+]3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccc2O1 ZINC001474717102 1074531782 /nfs/dbraw/zinc/53/17/82/1074531782.db2.gz GGTWXNVSRMFQHJ-LJQANCHMSA-N 1 0 378.476 3.675 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493700304 1079288449 /nfs/dbraw/zinc/28/84/49/1079288449.db2.gz XZIAJYOJBQVGQO-KURKYZTESA-N 1 0 398.530 3.943 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1 ZINC001474932960 1074638698 /nfs/dbraw/zinc/63/86/98/1074638698.db2.gz XSNYTCRKSBOZKW-UHFFFAOYSA-N 1 0 386.561 3.866 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)s2)c1 ZINC001475066611 1074720416 /nfs/dbraw/zinc/72/04/16/1074720416.db2.gz RGKDJHUHAUPVGI-UHFFFAOYSA-N 1 0 391.562 3.720 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCSC1 ZINC001475848106 1075033290 /nfs/dbraw/zinc/03/32/90/1075033290.db2.gz IZKIOEVSULWTAC-QFIPXVFZSA-N 1 0 379.529 3.645 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC001476151428 1075096253 /nfs/dbraw/zinc/09/62/53/1075096253.db2.gz ZJYZLZRBVRRHOA-QFIPXVFZSA-N 1 0 377.488 3.731 20 30 GHEDRO C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)[NH+]1CCCCC1 ZINC001476200475 1075102494 /nfs/dbraw/zinc/10/24/94/1075102494.db2.gz PEYRAHYJGGBBJA-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001476201944 1075102920 /nfs/dbraw/zinc/10/29/20/1075102920.db2.gz ZBXRSLJAEZMAMM-IBGZPJMESA-N 1 0 393.491 3.940 20 30 GHEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001476211841 1075104209 /nfs/dbraw/zinc/10/42/09/1075104209.db2.gz VZDLFXKFWBJLLA-ZDUSSCGKSA-N 1 0 389.381 3.715 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(C)(C#N)CC1 ZINC001496137270 1079457341 /nfs/dbraw/zinc/45/73/41/1079457341.db2.gz IUZXHCRBJVYHJY-KRWDZBQOSA-N 1 0 398.530 3.945 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001496339250 1079464954 /nfs/dbraw/zinc/46/49/54/1079464954.db2.gz FLYAERKPMUZNST-UIFIKXQLSA-N 1 0 394.567 3.756 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1CC[NH+]1CCCC1)c1ccccc1 ZINC001496341275 1079465710 /nfs/dbraw/zinc/46/57/10/1079465710.db2.gz JXXPFLFREZPGNL-AZUAARDMSA-N 1 0 380.540 3.512 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001500998546 1079622467 /nfs/dbraw/zinc/62/24/67/1079622467.db2.gz OWUNYUSVPNXFRS-DYESRHJHSA-N 1 0 390.551 3.573 20 30 GHEDRO C=C1CC[NH+](Cc2ccc(OCc3cccc(-c4nn[nH]n4)c3)c(OC)c2)CC1 ZINC000735402719 599207793 /nfs/dbraw/zinc/20/77/93/599207793.db2.gz IESJJMNHLIZPPZ-UHFFFAOYSA-N 1 0 391.475 3.606 20 30 GHEDRO C[C@@H]1C[C@H](CC[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000833598540 605165863 /nfs/dbraw/zinc/16/58/63/605165863.db2.gz YHADPVRLWWEXOD-AGHHOFFYSA-N 1 0 377.488 3.574 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000823882889 608282072 /nfs/dbraw/zinc/28/20/72/608282072.db2.gz FJUBZPXPWUAEEZ-ZDUSSCGKSA-N 1 0 387.846 3.988 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825038737 609341255 /nfs/dbraw/zinc/34/12/55/609341255.db2.gz HDQIXBAXTSNQHR-CZUORRHYSA-N 1 0 380.427 3.538 20 30 GHEDRO N#CCC1CC[NH+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000826380473 609411091 /nfs/dbraw/zinc/41/10/91/609411091.db2.gz BUCYJVVCMVDVCO-UHFFFAOYSA-N 1 0 388.475 3.571 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834606 720515470 /nfs/dbraw/zinc/51/54/70/720515470.db2.gz GRUYXYUJXHQLPK-KCZVDYSFSA-N 1 0 392.551 3.651 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1C#N ZINC001164768034 721293120 /nfs/dbraw/zinc/29/31/20/721293120.db2.gz DPYRQFUSXNHREW-UHFFFAOYSA-N 1 0 391.544 3.659 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3C#N)C[C@H]21 ZINC001165025453 721820089 /nfs/dbraw/zinc/82/00/89/721820089.db2.gz MURYFBXRGBJDIW-CDHQVMDDSA-N 1 0 381.911 3.739 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(CC#N)cc3Cl)C[C@@H]21 ZINC001165024578 721828617 /nfs/dbraw/zinc/82/86/17/721828617.db2.gz KMHUJGDTRQLKKT-SLYNCCJLSA-N 1 0 395.938 3.933 20 30 GHEDRO Cn1cc(CN(CC[NH+](C)C)Cc2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000580860922 837435546 /nfs/dbraw/zinc/43/55/46/837435546.db2.gz NOPZCBIKMLGCIV-UHFFFAOYSA-N 1 0 379.533 3.584 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OCC ZINC000176708616 837507148 /nfs/dbraw/zinc/50/71/48/837507148.db2.gz OYNOEZYFAHOODR-RHSMWYFYSA-N 1 0 399.516 3.873 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000176882637 837587480 /nfs/dbraw/zinc/58/74/80/837587480.db2.gz YUPQQSBFHDUXKS-SFHVURJKSA-N 1 0 397.544 3.796 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2ccn(CCC#N)n2)C1 ZINC000173333596 837688922 /nfs/dbraw/zinc/68/89/22/837688922.db2.gz GVYZBPNNAOVLFA-QZTJIDSGSA-N 1 0 394.523 3.596 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)c1ccccc1Cl ZINC000173355585 837695866 /nfs/dbraw/zinc/69/58/66/837695866.db2.gz OKYAZFFSAOIOTA-KRWDZBQOSA-N 1 0 388.903 3.655 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](OC(C)C)c2ccccc2OC)cc1OC ZINC000274504074 834352454 /nfs/dbraw/zinc/35/24/54/834352454.db2.gz LIPWNGPZSQZWCB-FQEVSTJZSA-N 1 0 387.480 3.605 20 30 GHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000547619470 834394191 /nfs/dbraw/zinc/39/41/91/834394191.db2.gz DBOFYIBALCLYPZ-UHFFFAOYSA-N 1 0 381.545 3.964 20 30 GHEDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000577575992 834542869 /nfs/dbraw/zinc/54/28/69/834542869.db2.gz AMQMDTPMDGEUMV-QYZOEREBSA-N 1 0 381.499 3.716 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000458577215 834588773 /nfs/dbraw/zinc/58/87/73/834588773.db2.gz QJXMTJDHDSLZEW-YPGOJHLTSA-N 1 0 394.494 3.653 20 30 GHEDRO CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000548799220 834618041 /nfs/dbraw/zinc/61/80/41/834618041.db2.gz URJMAKXLULJWND-SFHVURJKSA-N 1 0 394.544 3.536 20 30 GHEDRO CC(C)(C)c1csc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000278771882 834639124 /nfs/dbraw/zinc/63/91/24/834639124.db2.gz YGUQOYLXVVMSOW-UHFFFAOYSA-N 1 0 394.548 3.945 20 30 GHEDRO CC[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000133669974 834679504 /nfs/dbraw/zinc/67/95/04/834679504.db2.gz TUTYCVAXWRTIHR-CQSZACIVSA-N 1 0 393.413 3.584 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000583626175 834771426 /nfs/dbraw/zinc/77/14/26/834771426.db2.gz HSFHVYLPJZCHBA-UARRHKHWSA-N 1 0 381.516 3.643 20 30 GHEDRO C[C@@]1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)OCCc2sccc21 ZINC000262348049 834782496 /nfs/dbraw/zinc/78/24/96/834782496.db2.gz FFVZGOFDTNFIJZ-INIZCTEOSA-N 1 0 385.411 3.861 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246047230 834790374 /nfs/dbraw/zinc/79/03/74/834790374.db2.gz PPYYIUHNFPIKJF-RXVVDRJESA-N 1 0 398.551 3.695 20 30 GHEDRO N#CC1(NC(=O)c2ccsc2C(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000935270623 834831320 /nfs/dbraw/zinc/83/13/20/834831320.db2.gz FRZMTUSMMPSJGN-UHFFFAOYSA-N 1 0 375.444 3.974 20 30 GHEDRO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)C(C)C ZINC000064801637 835004287 /nfs/dbraw/zinc/00/42/87/835004287.db2.gz FUUJBPUCDADEDY-UHFFFAOYSA-N 1 0 389.496 3.776 20 30 GHEDRO C[C@@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000157787638 835045985 /nfs/dbraw/zinc/04/59/85/835045985.db2.gz ZSQYIXIUEBXQSG-JOCHJYFZSA-N 1 0 378.451 3.600 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(OC)CCC(c3ccccc3)CC2)CC1 ZINC000583803633 835064772 /nfs/dbraw/zinc/06/47/72/835064772.db2.gz IDPLZZATMHHSSQ-UHFFFAOYSA-N 1 0 385.552 3.679 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cnccc2C)c1C#N ZINC000611938850 835083785 /nfs/dbraw/zinc/08/37/85/835083785.db2.gz KFXWJSAYGUMUDF-QGZVFWFLSA-N 1 0 387.487 3.959 20 30 GHEDRO O=C(Nc1nc(CN2CCCCC2)cs1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000329469209 835091281 /nfs/dbraw/zinc/09/12/81/835091281.db2.gz XKCMYTRWJPTYPV-UHFFFAOYSA-N 1 0 391.585 3.625 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000583854151 835149875 /nfs/dbraw/zinc/14/98/75/835149875.db2.gz JGOMWLOJOLHYAK-UHFFFAOYSA-N 1 0 376.508 3.600 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157574969 835248057 /nfs/dbraw/zinc/24/80/57/835248057.db2.gz UEKHKBNNAKKQSA-RTBURBONSA-N 1 0 383.536 3.829 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(OC)c1 ZINC000247984020 835362814 /nfs/dbraw/zinc/36/28/14/835362814.db2.gz IRKHJCRBOXOSRI-CTNGQTDRSA-N 1 0 382.504 3.704 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000642701417 835376274 /nfs/dbraw/zinc/37/62/74/835376274.db2.gz DMDMDVNTBAVSAN-UHFFFAOYSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCn1c(C)cc(C(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)c1C ZINC000052746796 835457062 /nfs/dbraw/zinc/45/70/62/835457062.db2.gz DTXSSWYMCXDSAO-UHFFFAOYSA-N 1 0 393.531 3.676 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584022685 835458732 /nfs/dbraw/zinc/45/87/32/835458732.db2.gz BNZJBMGETAAZNW-PMACEKPBSA-N 1 0 390.487 3.553 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000658139371 835466678 /nfs/dbraw/zinc/46/66/78/835466678.db2.gz QCVUARQVMKHHQV-CTNGQTDRSA-N 1 0 383.536 3.515 20 30 GHEDRO Cc1cccc(OCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023450958 835491441 /nfs/dbraw/zinc/49/14/41/835491441.db2.gz YGYCZYHXWAIMMC-UHFFFAOYSA-N 1 0 391.515 3.760 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000584049412 835508297 /nfs/dbraw/zinc/50/82/97/835508297.db2.gz ZGWQGWPBOUFXOR-GOSISDBHSA-N 1 0 390.405 3.638 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccccc2F)s1 ZINC000255677628 835538065 /nfs/dbraw/zinc/53/80/65/835538065.db2.gz XTJKCXDIEXEBHO-XEXOPBTESA-N 1 0 385.464 3.731 20 30 GHEDRO Cc1cnn(-c2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)cc2F)c1 ZINC000329670930 835576788 /nfs/dbraw/zinc/57/67/88/835576788.db2.gz NATVSGGQPICNGO-UHFFFAOYSA-N 1 0 385.487 3.816 20 30 GHEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccc1N1CCOCC1 ZINC000179762116 835792280 /nfs/dbraw/zinc/79/22/80/835792280.db2.gz WIMNCUWZAADHJF-UHFFFAOYSA-N 1 0 379.504 3.838 20 30 GHEDRO N#CC1(CCC[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CCOCC1 ZINC000375599753 835818278 /nfs/dbraw/zinc/81/82/78/835818278.db2.gz VNPUUPVMUTYFOZ-MRXNPFEDSA-N 1 0 383.414 3.654 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549675160 844098081 /nfs/dbraw/zinc/09/80/81/844098081.db2.gz CEVPWNXDSOYTRA-LJQANCHMSA-N 1 0 397.567 3.622 20 30 GHEDRO N#Cc1cc2c(nc1N1CC[C@]3(C1)CCC[N@H+](Cc1ccccc1)C3)CCOC2 ZINC000584391569 835969660 /nfs/dbraw/zinc/96/96/60/835969660.db2.gz BQIQNCOLGIDDLX-XMMPIXPASA-N 1 0 388.515 3.518 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC000413667820 836036597 /nfs/dbraw/zinc/03/65/97/836036597.db2.gz IRRHESMBBVKWRB-YTFSRNRJSA-N 1 0 389.499 3.624 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)cc1 ZINC000548925319 836155255 /nfs/dbraw/zinc/15/52/55/836155255.db2.gz KHBYPKHCMYMNJC-UHFFFAOYSA-N 1 0 392.478 3.553 20 30 GHEDRO COc1cccc([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)c1 ZINC000187221113 836217875 /nfs/dbraw/zinc/21/78/75/836217875.db2.gz NGXBOQRECYNGPD-QFIPXVFZSA-N 1 0 389.499 3.552 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000158939663 836337626 /nfs/dbraw/zinc/33/76/26/836337626.db2.gz HVVXYZUPELUABL-UHFFFAOYSA-N 1 0 398.429 3.741 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccc(C#N)cc1 ZINC000548936118 836346744 /nfs/dbraw/zinc/34/67/44/836346744.db2.gz KFFLFDIEQRJHGY-QRWLVFNGSA-N 1 0 376.485 3.571 20 30 GHEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000180145865 836361610 /nfs/dbraw/zinc/36/16/10/836361610.db2.gz RNSSKJDLASFKSU-JOCHJYFZSA-N 1 0 399.498 3.586 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCC(=O)Nc3ccccn3)c2)c1 ZINC000065977598 836406798 /nfs/dbraw/zinc/40/67/98/836406798.db2.gz VPKYNIZGLDFHJW-UHFFFAOYSA-N 1 0 386.455 3.651 20 30 GHEDRO C[NH2+]Cc1cn(-c2nc(C#N)ccc2NC(=O)C(C)(C)C)c2ccc(C)cc12 ZINC001167124510 836443761 /nfs/dbraw/zinc/44/37/61/836443761.db2.gz UWTRVHGWGQFUDV-UHFFFAOYSA-N 1 0 375.476 3.910 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000540888944 836489282 /nfs/dbraw/zinc/48/92/82/836489282.db2.gz QKBBRVANGYVLMU-HOTGVXAUSA-N 1 0 389.927 3.563 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1cccc(C#N)c1C)[NH+]1CCCCC1 ZINC000513054801 844174514 /nfs/dbraw/zinc/17/45/14/844174514.db2.gz SKLMTQFWUZGYRO-NRFANRHFSA-N 1 0 377.488 3.832 20 30 GHEDRO COc1ccc2[nH]cc(C3=CCN(C(=O)N[C@@H]4CC[N@@H+]5CCCC[C@@H]45)CC3)c2c1 ZINC000328646261 836537451 /nfs/dbraw/zinc/53/74/51/836537451.db2.gz GSPSWCUYGIVCLX-YADHBBJMSA-N 1 0 394.519 3.806 20 30 GHEDRO Cc1cc(N2CCCC2)nc(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)[nH+]1 ZINC001167151729 836651331 /nfs/dbraw/zinc/65/13/31/836651331.db2.gz MSPLNGSOJGUTEL-UHFFFAOYSA-N 1 0 397.910 3.958 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000582694204 836668439 /nfs/dbraw/zinc/66/84/39/836668439.db2.gz DRYPKFJFTKGHHR-SFHVURJKSA-N 1 0 382.305 3.958 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180221733 836738107 /nfs/dbraw/zinc/73/81/07/836738107.db2.gz PLSFAJRRYQVTQR-INIZCTEOSA-N 1 0 391.496 3.723 20 30 GHEDRO [NH3+]CC1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000658926289 836774884 /nfs/dbraw/zinc/77/48/84/836774884.db2.gz FKCLNHZSHQAGKO-UHFFFAOYSA-N 1 0 386.311 3.787 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000247101711 836823355 /nfs/dbraw/zinc/82/33/55/836823355.db2.gz SJAHREKOAKJKGK-AZUAARDMSA-N 1 0 383.536 3.829 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCC2)cc1 ZINC000175527705 836863135 /nfs/dbraw/zinc/86/31/35/836863135.db2.gz ORBIQSIXCIIRQV-OAQYLSRUSA-N 1 0 395.528 3.878 20 30 GHEDRO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000510933365 844214441 /nfs/dbraw/zinc/21/44/41/844214441.db2.gz ZVGKQFMZAFKCSA-QVKFZJNVSA-N 1 0 383.442 3.943 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(OC(F)F)cc1)[n+]1ccc(C)cc1 ZINC000027318937 837042405 /nfs/dbraw/zinc/04/24/05/837042405.db2.gz HINRWLXSRASSBZ-UHFFFAOYSA-O 1 0 379.452 3.822 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176126665 837195260 /nfs/dbraw/zinc/19/52/60/837195260.db2.gz PIIDDYMGHVPGFJ-PGRDOPGGSA-N 1 0 393.556 3.961 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)sc2c1CCC2 ZINC000177198163 837882773 /nfs/dbraw/zinc/88/27/73/837882773.db2.gz PVEQKMOQAAWMPI-WBVHZDCISA-N 1 0 375.563 3.797 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177253772 837897223 /nfs/dbraw/zinc/89/72/23/837897223.db2.gz HWLKJONEKFZTBL-QFIPXVFZSA-N 1 0 383.536 3.875 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC2(C)COC2)cc1OCC ZINC000628423069 838049032 /nfs/dbraw/zinc/04/90/32/838049032.db2.gz AQXXMTJGRYKKJL-UHFFFAOYSA-N 1 0 384.314 3.881 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000549796166 844292437 /nfs/dbraw/zinc/29/24/37/844292437.db2.gz YKEPWMDKCWLRKE-CALCHBBNSA-N 1 0 376.504 3.670 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415809484 838137979 /nfs/dbraw/zinc/13/79/79/838137979.db2.gz VDGATVMOLSSOMW-CYBMUJFWSA-N 1 0 382.302 3.525 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415812221 838140024 /nfs/dbraw/zinc/14/00/24/838140024.db2.gz ZYTBCIQSJFQNCF-AEGPPILISA-N 1 0 394.313 3.605 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000146925551 838207307 /nfs/dbraw/zinc/20/73/07/838207307.db2.gz VTQSMWBYADUKHO-NHCUHLMSSA-N 1 0 381.907 3.906 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1 ZINC000189167526 838217816 /nfs/dbraw/zinc/21/78/16/838217816.db2.gz KOCRUAJQVJGYMG-SFHVURJKSA-N 1 0 379.529 3.680 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000177770298 838219546 /nfs/dbraw/zinc/21/95/46/838219546.db2.gz SYSOEIFJPDWLNI-AWEZNQCLSA-N 1 0 385.430 3.986 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(Cl)c1 ZINC000181417846 838275141 /nfs/dbraw/zinc/27/51/41/838275141.db2.gz DRSAPDNFDXBDLM-CQSZACIVSA-N 1 0 379.851 3.687 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000187836665 838361800 /nfs/dbraw/zinc/36/18/00/838361800.db2.gz GAPYTKVGORUGJH-LJQANCHMSA-N 1 0 395.906 3.603 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000187926256 838405230 /nfs/dbraw/zinc/40/52/30/838405230.db2.gz GUSYLALXCIJOBF-UHFFFAOYSA-N 1 0 385.552 3.714 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541084504 838426431 /nfs/dbraw/zinc/42/64/31/838426431.db2.gz LTNSPEJJJSKBJM-OAHLLOKOSA-N 1 0 378.476 3.500 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000123254942 838458896 /nfs/dbraw/zinc/45/88/96/838458896.db2.gz PGKAZYPDHMPRRO-HXUWFJFHSA-N 1 0 381.451 3.793 20 30 GHEDRO Cc1ccccc1CN1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000178823820 838466324 /nfs/dbraw/zinc/46/63/24/838466324.db2.gz RNMQIHXKMAMRNY-JOCHJYFZSA-N 1 0 376.504 3.867 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(C#N)cc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000378196005 838609268 /nfs/dbraw/zinc/60/92/68/838609268.db2.gz GTROZRAQQDYINV-NRFANRHFSA-N 1 0 385.471 3.763 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2cc(Cl)c(Br)cc2F)CC1 ZINC000416150767 838637894 /nfs/dbraw/zinc/63/78/94/838637894.db2.gz LZMFQMZIRAVOBE-UHFFFAOYSA-N 1 0 389.696 3.551 20 30 GHEDRO C#CCC(CC#C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000376705893 838640540 /nfs/dbraw/zinc/64/05/40/838640540.db2.gz GYIURTOQVIAJJV-AZUAARDMSA-N 1 0 390.449 3.867 20 30 GHEDRO CCCN(C(=O)c1ccc(CC#N)cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000378273332 838726803 /nfs/dbraw/zinc/72/68/03/838726803.db2.gz NNIZLLHZXSYXNG-UHFFFAOYSA-N 1 0 391.519 3.681 20 30 GHEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610371906 838744273 /nfs/dbraw/zinc/74/42/73/838744273.db2.gz RZDIYOSAKRRTTG-GMAHTHKFSA-N 1 0 384.495 3.831 20 30 GHEDRO CC(C)(C)OC(=O)NCCN1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000893195052 838784430 /nfs/dbraw/zinc/78/44/30/838784430.db2.gz QWFRJSRCPNSIHQ-FQEVSTJZSA-N 1 0 386.540 3.610 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)cc1 ZINC000580168903 839002364 /nfs/dbraw/zinc/00/23/64/839002364.db2.gz XLJBZGXVVFSBHQ-LEWJYISDSA-N 1 0 376.460 3.860 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000610400209 839062802 /nfs/dbraw/zinc/06/28/02/839062802.db2.gz WESQTMYWWCNVIE-VGSWGCGISA-N 1 0 392.503 3.764 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610407069 839121578 /nfs/dbraw/zinc/12/15/78/839121578.db2.gz PDCTURUWXCJYCR-PGRDOPGGSA-N 1 0 391.519 3.710 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1cccc(C#N)c1 ZINC000610408411 839144714 /nfs/dbraw/zinc/14/47/14/839144714.db2.gz WFRHWTUOXVTGEA-OAHLLOKOSA-N 1 0 386.446 3.671 20 30 GHEDRO CC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000378453824 839151202 /nfs/dbraw/zinc/15/12/02/839151202.db2.gz OHJZRTZSFUYXEZ-HSZRJFAPSA-N 1 0 388.515 3.610 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000458178187 844407117 /nfs/dbraw/zinc/40/71/17/844407117.db2.gz WDLIZYJOHLMHHJ-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000415083779 839172014 /nfs/dbraw/zinc/17/20/14/839172014.db2.gz NUVYKVXTLZVSSY-KBXCAEBGSA-N 1 0 380.448 3.560 20 30 GHEDRO N#Cc1cccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000066785884 839172919 /nfs/dbraw/zinc/17/29/19/839172919.db2.gz BBDVIWJELAOVIO-UHFFFAOYSA-N 1 0 376.460 3.625 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)ccc1OC ZINC000363844792 839211875 /nfs/dbraw/zinc/21/18/75/839211875.db2.gz JGEHEMZXRCUZIG-IBGZPJMESA-N 1 0 375.509 3.668 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000415118739 839232437 /nfs/dbraw/zinc/23/24/37/839232437.db2.gz HKRFJISFCUDBIY-OAQYLSRUSA-N 1 0 378.476 3.647 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415129620 839254986 /nfs/dbraw/zinc/25/49/86/839254986.db2.gz VEILCUIYTXKIAT-KKSFZXQISA-N 1 0 378.476 3.565 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415129723 839257342 /nfs/dbraw/zinc/25/73/42/839257342.db2.gz VKSHAZXDSLLWMP-HXUWFJFHSA-N 1 0 380.492 3.941 20 30 GHEDRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000580319432 839269897 /nfs/dbraw/zinc/26/98/97/839269897.db2.gz LAKWGNSMSIRSRC-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541120687 839330151 /nfs/dbraw/zinc/33/01/51/839330151.db2.gz OIDNVTNBHMETOV-GOSISDBHSA-N 1 0 394.519 3.554 20 30 GHEDRO C=C[C@@](C)(O)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000548086238 839417398 /nfs/dbraw/zinc/41/73/98/839417398.db2.gz WSBNHDNPXBFCEN-LJQANCHMSA-N 1 0 385.335 3.745 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000584576164 839483972 /nfs/dbraw/zinc/48/39/72/839483972.db2.gz AHITWEXOBCQYOA-JOCHJYFZSA-N 1 0 378.472 3.799 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)cc1OC ZINC000458203487 844446715 /nfs/dbraw/zinc/44/67/15/844446715.db2.gz WKWYAPUTERJVSN-UHFFFAOYSA-N 1 0 384.476 3.761 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000549249867 839578661 /nfs/dbraw/zinc/57/86/61/839578661.db2.gz MFEQGAVKKJCIHU-OAQYLSRUSA-N 1 0 397.567 3.882 20 30 GHEDRO Cn1cc(C#N)cc1C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000471598532 839864490 /nfs/dbraw/zinc/86/44/90/839864490.db2.gz XABZZZWBLZDAPS-UHFFFAOYSA-N 1 0 386.499 3.671 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)c3cc(F)ccc3-c3ccoc3)CC2)cc1 ZINC000471599327 839878164 /nfs/dbraw/zinc/87/81/64/839878164.db2.gz QRSOCVHPGZZPHZ-UHFFFAOYSA-N 1 0 389.430 3.915 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000177797027 839903114 /nfs/dbraw/zinc/90/31/14/839903114.db2.gz YBZONVPMFIWFSF-YADHBBJMSA-N 1 0 389.499 3.836 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000610451547 839966720 /nfs/dbraw/zinc/96/67/20/839966720.db2.gz BTJAMZVAZPOCFM-IBGZPJMESA-N 1 0 379.504 3.542 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000580704098 840033787 /nfs/dbraw/zinc/03/37/87/840033787.db2.gz HAVKVHLZKNAKFB-SLFFLAALSA-N 1 0 393.478 3.510 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000066853941 840268343 /nfs/dbraw/zinc/26/83/43/840268343.db2.gz VMPAARXCUPKWQT-QGZVFWFLSA-N 1 0 396.535 3.687 20 30 GHEDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728309734 840332226 /nfs/dbraw/zinc/33/22/26/840332226.db2.gz PCVNDHBSJIFVBX-UHFFFAOYSA-N 1 0 378.520 3.960 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000580861697 840351246 /nfs/dbraw/zinc/35/12/46/840351246.db2.gz MIITYQXRHGWOLX-ZACQAIPSSA-N 1 0 387.503 3.662 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000580965001 840534213 /nfs/dbraw/zinc/53/42/13/840534213.db2.gz QYKNSASAYUZVJR-YOEHRIQHSA-N 1 0 390.471 3.584 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000432045023 840551148 /nfs/dbraw/zinc/55/11/48/840551148.db2.gz HBEMICKYVXENAI-UHFFFAOYSA-N 1 0 396.922 3.672 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000432061590 840576674 /nfs/dbraw/zinc/57/66/74/840576674.db2.gz MSWYWXNERFXUPQ-UHFFFAOYSA-N 1 0 376.504 3.540 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000581050898 840641566 /nfs/dbraw/zinc/64/15/66/840641566.db2.gz NHDCQXCZXXDVIJ-UHFFFAOYSA-N 1 0 388.515 3.899 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000581053985 840644593 /nfs/dbraw/zinc/64/45/93/840644593.db2.gz DJXFSQGMRVMJGK-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(C)C ZINC000543870474 840680066 /nfs/dbraw/zinc/68/00/66/840680066.db2.gz ADWIGQILVHRASQ-HJPURHCSSA-N 1 0 377.488 3.606 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511774035 840707399 /nfs/dbraw/zinc/70/73/99/840707399.db2.gz PBPSQXFHSURYRC-YCAMKHIRSA-N 1 0 393.527 3.659 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)NCC3CCC(C#N)CC3)CC[N@@H+]2C2CC2)c1 ZINC000581170088 840814193 /nfs/dbraw/zinc/81/41/93/840814193.db2.gz HOMDUESXASMITB-HCKZNZMISA-N 1 0 396.535 3.602 20 30 GHEDRO C[C@@H](C[N@@H+]([C@@H](C)CO)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000581209524 840853215 /nfs/dbraw/zinc/85/32/15/840853215.db2.gz WABZVGMASZRYNW-YDHSSHFGSA-N 1 0 391.515 3.540 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3cc(C#N)ccc3OC)CCN2C2CC2)c1 ZINC000549471884 840883731 /nfs/dbraw/zinc/88/37/31/840883731.db2.gz KXPSVHXMDYXEPL-FYYLOGMGSA-N 1 0 377.488 3.643 20 30 GHEDRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(F)c1 ZINC000417452623 840889398 /nfs/dbraw/zinc/88/93/98/840889398.db2.gz DVKBIQKKIBSVBS-UHFFFAOYSA-N 1 0 384.455 3.692 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000581247325 840937492 /nfs/dbraw/zinc/93/74/92/840937492.db2.gz LVFMBMQZNVLYNN-DZGCQCFKSA-N 1 0 376.888 3.627 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000660598894 840973386 /nfs/dbraw/zinc/97/33/86/840973386.db2.gz GEMHOQTVEQSQPF-QGZVFWFLSA-N 1 0 390.959 3.506 20 30 GHEDRO COc1ccc(CC2(c3nc(-c4ccc(C#N)c(C)c4)no3)CC[NH2+]CC2)cc1 ZINC001211511645 841024813 /nfs/dbraw/zinc/02/48/13/841024813.db2.gz NCHKJNQUPHPEHZ-UHFFFAOYSA-N 1 0 388.471 3.789 20 30 GHEDRO CC(C)(CO)[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccnc1 ZINC000660637021 841039613 /nfs/dbraw/zinc/03/96/13/841039613.db2.gz FNHCTURKUQRCEN-GOSISDBHSA-N 1 0 378.394 3.681 20 30 GHEDRO COc1cc(C[N@H+](C)[C@H](CO)C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000134425868 841058087 /nfs/dbraw/zinc/05/80/87/841058087.db2.gz SQCYLYFPSMHTPU-JOCHJYFZSA-N 1 0 382.504 3.985 20 30 GHEDRO Cc1cc(N2CCN(c3cnccc3C#N)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000584874900 841147652 /nfs/dbraw/zinc/14/76/52/841147652.db2.gz OJGJGGWLKZMLKS-UHFFFAOYSA-N 1 0 395.413 3.738 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000581357491 841161783 /nfs/dbraw/zinc/16/17/83/841161783.db2.gz BCGXFEORQQWBAA-QZTJIDSGSA-N 1 0 376.460 3.732 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+]2CCCCC2)cc1 ZINC000151114324 844617796 /nfs/dbraw/zinc/61/77/96/844617796.db2.gz IBNLFGWUYQIAQS-HXUWFJFHSA-N 1 0 399.441 3.802 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000661117569 841420802 /nfs/dbraw/zinc/42/08/02/841420802.db2.gz SBYCORDWCPLJNP-XLIONFOSSA-N 1 0 378.538 3.533 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)CCc3cncc(F)c3)CCCCC2)CCO1 ZINC000329265295 861220453 /nfs/dbraw/zinc/22/04/53/861220453.db2.gz FTNFQDSUJDGFQY-UHFFFAOYSA-N 1 0 377.504 3.924 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21)C(C)C ZINC000625558789 841644281 /nfs/dbraw/zinc/64/42/81/841644281.db2.gz XWOVVLMXWHFDNC-CVEARBPZSA-N 1 0 398.473 3.594 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cn2)c1 ZINC000603828972 861242356 /nfs/dbraw/zinc/24/23/56/861242356.db2.gz HQTMXZYFCYPSIV-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329289596 861249073 /nfs/dbraw/zinc/24/90/73/861249073.db2.gz QEMFOTBOWULXJG-OJAHFUOMSA-N 1 0 386.540 3.885 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489818958 861252483 /nfs/dbraw/zinc/25/24/83/861252483.db2.gz OXVLTXMNOCBFQQ-XLIONFOSSA-N 1 0 392.503 3.989 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489818957 861252678 /nfs/dbraw/zinc/25/26/78/861252678.db2.gz OXVLTXMNOCBFQQ-PXNSSMCTSA-N 1 0 392.503 3.989 20 30 GHEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549556257 841969936 /nfs/dbraw/zinc/96/99/36/841969936.db2.gz VFNAGARUSUXVFU-UHFFFAOYSA-N 1 0 382.430 3.556 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664509 842004615 /nfs/dbraw/zinc/00/46/15/842004615.db2.gz AEPFFKHZKWWINE-KAGYGMCKSA-N 1 0 398.572 3.749 20 30 GHEDRO CCOC(=O)c1csc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000276491692 842006836 /nfs/dbraw/zinc/00/68/36/842006836.db2.gz IAIAYBMUXRUJIF-UHFFFAOYSA-N 1 0 383.517 3.856 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000584689253 842014224 /nfs/dbraw/zinc/01/42/24/842014224.db2.gz FSOFUHOHTYQVHJ-INIZCTEOSA-N 1 0 397.548 3.669 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000893485349 842022255 /nfs/dbraw/zinc/02/22/55/842022255.db2.gz XAMPQSDJKJKHFY-APWZRJJASA-N 1 0 382.533 3.814 20 30 GHEDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cccc(OCC#N)c1 ZINC001126123977 842048215 /nfs/dbraw/zinc/04/82/15/842048215.db2.gz WFDJVZXVMAUXHO-FYYLOGMGSA-N 1 0 391.515 3.753 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc(C#N)c1 ZINC000432335341 842075173 /nfs/dbraw/zinc/07/51/73/842075173.db2.gz KBZLAXWYHCEFKZ-ACJLOTCBSA-N 1 0 384.277 3.777 20 30 GHEDRO COCCC[NH+]1CCC(NCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905721 842148745 /nfs/dbraw/zinc/14/87/45/842148745.db2.gz DUTUPWOLIHEVBH-UHFFFAOYSA-N 1 0 393.531 3.728 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N(C)Cc2cc(C#N)cs2)[NH+]2CCCC2)cc1 ZINC000891495958 842198987 /nfs/dbraw/zinc/19/89/87/842198987.db2.gz UORAXLOEHIAHBF-HXUWFJFHSA-N 1 0 398.532 3.607 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CCCC1 ZINC000661849818 842237905 /nfs/dbraw/zinc/23/79/05/842237905.db2.gz HLUDOMSVDXNWMJ-UHFFFAOYSA-N 1 0 397.441 3.581 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCCC1 ZINC000891532744 842262480 /nfs/dbraw/zinc/26/24/80/842262480.db2.gz KZUXKWIUTBHAIE-LJQANCHMSA-N 1 0 398.532 3.607 20 30 GHEDRO CCN(CCC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000559149683 842291769 /nfs/dbraw/zinc/29/17/69/842291769.db2.gz LQYAELRFDRAVIM-PKTZIBPZSA-N 1 0 375.516 3.973 20 30 GHEDRO C[N@H+](CCCCC1(C#N)CCC1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933500109 842292467 /nfs/dbraw/zinc/29/24/67/842292467.db2.gz DJENBFQHHYFSFP-UHFFFAOYSA-N 1 0 379.545 3.856 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1=O ZINC000328828935 842372464 /nfs/dbraw/zinc/37/24/64/842372464.db2.gz QTYNFDSEUDVQRA-HKUYNNGSSA-N 1 0 386.540 3.549 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(F)c1F ZINC000165888418 842562063 /nfs/dbraw/zinc/56/20/63/842562063.db2.gz OUHSQPNFQWEBDW-HNNXBMFYSA-N 1 0 386.446 3.671 20 30 GHEDRO CCCCOc1c(Cl)cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1OCC ZINC000603884874 861325601 /nfs/dbraw/zinc/32/56/01/861325601.db2.gz SATGLJGKACLQTP-UHFFFAOYSA-N 1 0 393.915 3.635 20 30 GHEDRO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccs1 ZINC000015519186 842737984 /nfs/dbraw/zinc/73/79/84/842737984.db2.gz UDWDXQWZSZAANW-UHFFFAOYSA-N 1 0 383.517 3.892 20 30 GHEDRO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000599572453 861347792 /nfs/dbraw/zinc/34/77/92/861347792.db2.gz BOQJBTPOYWEKGM-HOCLYGCPSA-N 1 0 381.314 3.895 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000028338411 861347540 /nfs/dbraw/zinc/34/75/40/861347540.db2.gz KWHUKHFUOWKFHA-QWHCGFSZSA-N 1 0 384.867 3.848 20 30 GHEDRO C=CCOCCCNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663217473 842816627 /nfs/dbraw/zinc/81/66/27/842816627.db2.gz JHDZDBIQEUKKEA-QFIPXVFZSA-N 1 0 399.579 3.911 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](c2ccccc2OC)C1)C(C)C ZINC000606641449 842824580 /nfs/dbraw/zinc/82/45/80/842824580.db2.gz ANLLGEGMLISOCZ-CTNGQTDRSA-N 1 0 385.552 3.893 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549637335 842831003 /nfs/dbraw/zinc/83/10/03/842831003.db2.gz DUJDJDPLFNUGPJ-IBGZPJMESA-N 1 0 385.531 3.752 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000328891804 842831160 /nfs/dbraw/zinc/83/11/60/842831160.db2.gz SRIVVEYIKDZMMZ-PMACEKPBSA-N 1 0 381.524 3.558 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCC#Cc2cccc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000512189863 842844828 /nfs/dbraw/zinc/84/48/28/842844828.db2.gz PZPIHVPUFROYCR-DENIHFKCSA-N 1 0 393.506 3.777 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000328900842 842855689 /nfs/dbraw/zinc/85/56/89/842855689.db2.gz YIUPDMKAFUFLAC-NQIIRXRSSA-N 1 0 395.551 3.935 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1C#N ZINC000028347587 861352626 /nfs/dbraw/zinc/35/26/26/861352626.db2.gz FTAMFYQVRBWDDN-GJZGRUSLSA-N 1 0 376.460 3.585 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000319942142 842884198 /nfs/dbraw/zinc/88/41/98/842884198.db2.gz SNXRFQPSXQMNMK-INIZCTEOSA-N 1 0 393.350 3.915 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+](C)C ZINC000510510898 842886494 /nfs/dbraw/zinc/88/64/94/842886494.db2.gz JLZIDKKBTUQZCJ-HRAATJIYSA-N 1 0 379.479 3.845 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000549646668 842889090 /nfs/dbraw/zinc/88/90/90/842889090.db2.gz DYYAYIHDZLWELT-UHFFFAOYSA-N 1 0 383.540 3.520 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CO[C@@H]1CCCc2ccccc21 ZINC000430716277 842889938 /nfs/dbraw/zinc/88/99/38/842889938.db2.gz SBYHRTZOKRXFON-HSZRJFAPSA-N 1 0 391.515 3.543 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329393416 861369349 /nfs/dbraw/zinc/36/93/49/861369349.db2.gz USRLPXIFAJIMKJ-AZUAARDMSA-N 1 0 385.556 3.875 20 30 GHEDRO COCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000279413747 843052034 /nfs/dbraw/zinc/05/20/34/843052034.db2.gz ODJCSLVGYCXNJO-UHFFFAOYSA-N 1 0 375.476 3.507 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000512233215 843165369 /nfs/dbraw/zinc/16/53/69/843165369.db2.gz GZADLJDOHXELFT-GOSISDBHSA-N 1 0 388.393 3.973 20 30 GHEDRO C[C@@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000613993064 843197346 /nfs/dbraw/zinc/19/73/46/843197346.db2.gz XUBUWLKUHJKBHS-VGOFRKELSA-N 1 0 376.504 3.829 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)N3CCOC4(CCCC4)C3)CC[N@@H+]2C2CC2)c1 ZINC000329418158 861394619 /nfs/dbraw/zinc/39/46/19/861394619.db2.gz GGXQTUBLGGHVPA-NHCUHLMSSA-N 1 0 399.535 3.532 20 30 GHEDRO CCC[C@@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCOC1 ZINC000512260399 843250574 /nfs/dbraw/zinc/25/05/74/843250574.db2.gz LCIARJNDVVGXKC-JOCHJYFZSA-N 1 0 386.540 3.969 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000599599856 861396284 /nfs/dbraw/zinc/39/62/84/861396284.db2.gz GIMDPKUDLVAKJI-ZDUSSCGKSA-N 1 0 399.516 3.805 20 30 GHEDRO CCc1nc2cc(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)ccc2n1C1CC1 ZINC000261601070 843293179 /nfs/dbraw/zinc/29/31/79/843293179.db2.gz BPMGKMWQIATXQW-SFHVURJKSA-N 1 0 389.503 3.862 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)CCC[NH2+]1 ZINC000662477390 843310199 /nfs/dbraw/zinc/31/01/99/843310199.db2.gz ZTFWWBILDTVFFK-YCRPNKLZSA-N 1 0 389.927 3.991 20 30 GHEDRO C=CC[C@]1(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)CCC[NH2+]1 ZINC000662517803 843384603 /nfs/dbraw/zinc/38/46/03/843384603.db2.gz DKJCZDJWOAKHGY-HSZRJFAPSA-N 1 0 377.488 3.562 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662520700 843386027 /nfs/dbraw/zinc/38/60/27/843386027.db2.gz LHVXONRYTFVMCX-AAEUAGOBSA-N 1 0 398.322 3.800 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000162934732 843470439 /nfs/dbraw/zinc/47/04/39/843470439.db2.gz DESKWNHDYSMERI-MSOLQXFVSA-N 1 0 392.499 3.768 20 30 GHEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)C3CCC(c4ccccc4)CC3)CC2)C1=O ZINC000329444163 861438970 /nfs/dbraw/zinc/43/89/70/861438970.db2.gz NNRYBEDBDYFCPD-GRERDSQWSA-N 1 0 383.536 3.612 20 30 GHEDRO Cn1cnnc1C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000091795633 843657033 /nfs/dbraw/zinc/65/70/33/843657033.db2.gz WMJWEOWXQYEPEZ-UHFFFAOYSA-N 1 0 387.487 3.645 20 30 GHEDRO C[NH+]=C(NCc1csc(-c2ccccc2)n1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261656852 843658235 /nfs/dbraw/zinc/65/82/35/843658235.db2.gz AFVDNUGIPSSIQB-QFBILLFUSA-N 1 0 394.548 3.665 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N(C)Cc1cc(Cl)cn1C ZINC000261984156 843677382 /nfs/dbraw/zinc/67/73/82/843677382.db2.gz PPDWBYHDBYPOPJ-UHFFFAOYSA-N 1 0 377.901 3.602 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610717801 843712397 /nfs/dbraw/zinc/71/23/97/843712397.db2.gz XUZAIYYWYPYHBX-KRWDZBQOSA-N 1 0 379.464 3.741 20 30 GHEDRO C#CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000731108765 861469573 /nfs/dbraw/zinc/46/95/73/861469573.db2.gz AEPWRJDTIIIAOL-UHFFFAOYSA-N 1 0 377.488 3.732 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000237199021 843917904 /nfs/dbraw/zinc/91/79/04/843917904.db2.gz MNRDCCVXANGEDP-FQEVSTJZSA-N 1 0 386.540 3.916 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000731114860 861475617 /nfs/dbraw/zinc/47/56/17/861475617.db2.gz QPQIAPSAHLBLJK-UHFFFAOYSA-N 1 0 377.488 3.527 20 30 GHEDRO N#Cc1ccc(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC000512478159 843962167 /nfs/dbraw/zinc/96/21/67/843962167.db2.gz BKGZNOYXQKCONI-QFIPXVFZSA-N 1 0 394.950 3.604 20 30 GHEDRO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(F)cc(C#N)c1 ZINC000512922112 843990130 /nfs/dbraw/zinc/99/01/30/843990130.db2.gz VITVZWIVQMPXJG-OAQYLSRUSA-N 1 0 379.479 3.756 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(CC)CC ZINC000433315242 844001929 /nfs/dbraw/zinc/00/19/29/844001929.db2.gz BADQJCRHHCAMRK-PMACEKPBSA-N 1 0 381.524 3.932 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1OC ZINC000623726172 861497155 /nfs/dbraw/zinc/49/71/55/861497155.db2.gz CUFXOBZYQCYPLM-SFHVURJKSA-N 1 0 386.879 3.830 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000512633188 844839473 /nfs/dbraw/zinc/83/94/73/844839473.db2.gz LOIDGJTXBRQHHW-DAXSKMNVSA-N 1 0 390.443 3.830 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512632811 844840558 /nfs/dbraw/zinc/84/05/58/844840558.db2.gz HREMALRGHXYYBX-UHFFFAOYSA-N 1 0 399.498 3.903 20 30 GHEDRO COCCOc1ccccc1N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614176623 844872938 /nfs/dbraw/zinc/87/29/38/844872938.db2.gz DDNRZBASFOMNJX-UHFFFAOYSA-N 1 0 393.531 3.835 20 30 GHEDRO C=CCC1(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCCC1 ZINC000458307200 844892480 /nfs/dbraw/zinc/89/24/80/844892480.db2.gz HHQURDZEOFDEKJ-UHFFFAOYSA-N 1 0 385.552 3.722 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000433019464 844969280 /nfs/dbraw/zinc/96/92/80/844969280.db2.gz NYKAPGULDPPSNB-OAQYLSRUSA-N 1 0 390.487 3.777 20 30 GHEDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)n1 ZINC000599682067 861521479 /nfs/dbraw/zinc/52/14/79/861521479.db2.gz BKHPXUFWSAMCMO-LEWJYISDSA-N 1 0 388.471 3.698 20 30 GHEDRO C=C(CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000512681305 845020562 /nfs/dbraw/zinc/02/05/62/845020562.db2.gz MYNPSZLIKXQLLM-PKTZIBPZSA-N 1 0 398.595 3.678 20 30 GHEDRO C[C@H](OC[C@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC000599686699 861529827 /nfs/dbraw/zinc/52/98/27/861529827.db2.gz WAWRKRJVJSGXQE-HRAATJIYSA-N 1 0 384.907 3.903 20 30 GHEDRO C=CCSCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179341974 861539187 /nfs/dbraw/zinc/53/91/87/861539187.db2.gz IREFUBZSBWGLOS-PBHICJAKSA-N 1 0 385.936 3.690 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000179361671 861547892 /nfs/dbraw/zinc/54/78/92/861547892.db2.gz QEVQFLYCYNGVSL-UHFFFAOYSA-N 1 0 380.330 3.812 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000611556306 845235772 /nfs/dbraw/zinc/23/57/72/845235772.db2.gz MQFNTKAAEGYQBY-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1(c2ccccc2)CCCC1 ZINC000614222344 845292293 /nfs/dbraw/zinc/29/22/93/845292293.db2.gz AIHBRGBBDDDRFY-DENIHFKCSA-N 1 0 378.516 3.982 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000600311637 861579270 /nfs/dbraw/zinc/57/92/70/861579270.db2.gz BRYGXEUGPAHQDX-MRXNPFEDSA-N 1 0 381.451 3.951 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000513520960 845573185 /nfs/dbraw/zinc/57/31/85/845573185.db2.gz MBNKVSHYCYGSOG-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512816427 845628077 /nfs/dbraw/zinc/62/80/77/845628077.db2.gz HNMOSYCXTFOTRH-UHFFFAOYSA-N 1 0 379.435 3.881 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(C)C ZINC000539256273 846047908 /nfs/dbraw/zinc/04/79/08/846047908.db2.gz XULYWYUGMMDBLO-CQSZACIVSA-N 1 0 385.464 3.853 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502535450 846172298 /nfs/dbraw/zinc/17/22/98/846172298.db2.gz ZNGOAVCTCYNZTA-UHFFFAOYSA-N 1 0 395.286 3.747 20 30 GHEDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051407003 846196440 /nfs/dbraw/zinc/19/64/40/846196440.db2.gz NSROBGBWCWDSBP-SFHVURJKSA-N 1 0 379.287 3.931 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000502634487 846276869 /nfs/dbraw/zinc/27/68/69/846276869.db2.gz DSZIQXFNUIHNBH-SOUVJXGZSA-N 1 0 375.538 3.620 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)ccc1OCc1cccc(C#N)c1 ZINC000502843473 846535425 /nfs/dbraw/zinc/53/54/25/846535425.db2.gz STJHKXNGDPLLIF-SFTDATJTSA-N 1 0 380.488 3.787 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(C)cc1 ZINC000179665791 861692906 /nfs/dbraw/zinc/69/29/06/861692906.db2.gz WETSFLLFONKYEI-PMACEKPBSA-N 1 0 396.560 3.506 20 30 GHEDRO COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000421841141 846631633 /nfs/dbraw/zinc/63/16/33/846631633.db2.gz JUQHAPPTRMKION-LIRRHRJNSA-N 1 0 383.879 3.672 20 30 GHEDRO COC(=O)c1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc(C(=O)OC)c1 ZINC000501205275 846741869 /nfs/dbraw/zinc/74/18/69/846741869.db2.gz NOONHMYLZSELPG-UHFFFAOYSA-N 1 0 380.444 3.542 20 30 GHEDRO COc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(F)cc1C#N ZINC000599815945 861715872 /nfs/dbraw/zinc/71/58/72/861715872.db2.gz CPZLZGYCLDOYOV-MRXNPFEDSA-N 1 0 388.487 3.682 20 30 GHEDRO COc1cc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(F)cc1C#N ZINC000599817354 861718612 /nfs/dbraw/zinc/71/86/12/861718612.db2.gz KRBJWZDPLZYRTR-HUUCEWRRSA-N 1 0 376.476 3.586 20 30 GHEDRO COc1cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(F)cc1C#N ZINC000599817077 861718702 /nfs/dbraw/zinc/71/87/02/861718702.db2.gz IKFGENBWSQALJL-UHFFFAOYSA-N 1 0 388.487 3.826 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604080425 861726183 /nfs/dbraw/zinc/72/61/83/861726183.db2.gz PDTGBTMWGZNKGB-NRFANRHFSA-N 1 0 379.504 3.715 20 30 GHEDRO Cc1c(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)cnn1CCC#N ZINC000892249914 846855817 /nfs/dbraw/zinc/85/58/17/846855817.db2.gz YQNJDFNZRKZBNC-UHFFFAOYSA-N 1 0 397.548 3.936 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000582355884 846938238 /nfs/dbraw/zinc/93/82/38/846938238.db2.gz IJYJAEKNJUURJY-URLQWDBASA-N 1 0 377.271 3.750 20 30 GHEDRO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000501521980 846982158 /nfs/dbraw/zinc/98/21/58/846982158.db2.gz ZAUSFSUUNDQMAG-CVEARBPZSA-N 1 0 381.442 3.619 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C[C@@H](C)C#N)C2CC2)CC1 ZINC000513769376 846998816 /nfs/dbraw/zinc/99/88/16/846998816.db2.gz KPBWWPOESBUMRN-HNNXBMFYSA-N 1 0 389.931 3.638 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccnn2CCC)CC1 ZINC000501535637 847000053 /nfs/dbraw/zinc/00/00/53/847000053.db2.gz OCKYFVXFPSATIY-OAQYLSRUSA-N 1 0 383.536 3.641 20 30 GHEDRO C[N@H+](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[C@H]1CCSC1 ZINC000132779264 861770716 /nfs/dbraw/zinc/77/07/16/861770716.db2.gz MWEZSEKSKMSRKZ-IBGZPJMESA-N 1 0 381.501 3.513 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187758359 847289950 /nfs/dbraw/zinc/28/99/50/847289950.db2.gz SAHZWOTYCLITCN-KUHUBIRLSA-N 1 0 378.375 3.520 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000501935971 847345484 /nfs/dbraw/zinc/34/54/84/847345484.db2.gz CQWQNTCGZDLZET-IBGZPJMESA-N 1 0 375.561 3.816 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000329619958 861784726 /nfs/dbraw/zinc/78/47/26/861784726.db2.gz FHKVOTFUAGAYHC-UHFFFAOYSA-N 1 0 392.931 3.753 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc(C#N)c1C ZINC000178587475 847384862 /nfs/dbraw/zinc/38/48/62/847384862.db2.gz LFGMFCAGKPDMPP-UHFFFAOYSA-N 1 0 393.491 3.661 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000599846145 861787027 /nfs/dbraw/zinc/78/70/27/861787027.db2.gz GNYDTNSKVWQGTP-RBZQAINGSA-N 1 0 385.511 3.820 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420917564 847538125 /nfs/dbraw/zinc/53/81/25/847538125.db2.gz SOQRBUKMUNGOCB-ZEQRLZLVSA-N 1 0 375.516 3.791 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(OC)c1 ZINC000420948441 847570450 /nfs/dbraw/zinc/57/04/50/847570450.db2.gz NYPYSNJDBKRMLS-DLBZAZTESA-N 1 0 387.442 3.828 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000480002569 848021090 /nfs/dbraw/zinc/02/10/90/848021090.db2.gz SRPLWWVMUXEMAM-UHFFFAOYSA-N 1 0 392.503 3.741 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056041955 848154468 /nfs/dbraw/zinc/15/44/68/848154468.db2.gz MPVJNIDUCBGJKM-SFHVURJKSA-N 1 0 377.488 3.993 20 30 GHEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000481630668 861915379 /nfs/dbraw/zinc/91/53/79/861915379.db2.gz UGAACEJLAURUKY-SFHVURJKSA-N 1 0 396.466 3.740 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cccc(C#N)c2)C1 ZINC000048828360 848664493 /nfs/dbraw/zinc/66/44/93/848664493.db2.gz MUUAEBHWIHJOIG-GOSISDBHSA-N 1 0 376.504 3.790 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000572892543 848684988 /nfs/dbraw/zinc/68/49/88/848684988.db2.gz HAYZLPFIRJEQGY-HXUWFJFHSA-N 1 0 393.491 3.987 20 30 GHEDRO N#Cc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1[N+](=O)[O-] ZINC000431511328 848806743 /nfs/dbraw/zinc/80/67/43/848806743.db2.gz AGWWUSLVJVKLSV-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO C=C[C@](C)(O)CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000431523563 849126317 /nfs/dbraw/zinc/12/63/17/849126317.db2.gz XSGINANTHSALIH-DEOSSOPVSA-N 1 0 378.516 3.893 20 30 GHEDRO CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000599985868 861983216 /nfs/dbraw/zinc/98/32/16/861983216.db2.gz MJHMVKIVNSGSME-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248128015 849355332 /nfs/dbraw/zinc/35/53/32/849355332.db2.gz VXFVIVXCXCLXSN-YADHBBJMSA-N 1 0 376.504 3.924 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000329678636 862009971 /nfs/dbraw/zinc/00/99/71/862009971.db2.gz XCSWGMQUMWBAAK-KAGYGMCKSA-N 1 0 395.551 3.772 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000600460745 862046749 /nfs/dbraw/zinc/04/67/49/862046749.db2.gz AWOFJDMHGKYKTH-FQEVSTJZSA-N 1 0 382.479 3.919 20 30 GHEDRO COc1ccc2oc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c1 ZINC000503932443 849780309 /nfs/dbraw/zinc/78/03/09/849780309.db2.gz YNMGRZZEFJBWIN-HXUWFJFHSA-N 1 0 375.428 3.598 20 30 GHEDRO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2O1 ZINC000503933094 849781417 /nfs/dbraw/zinc/78/14/17/849781417.db2.gz WFOVSNAYNYCKJA-HXUWFJFHSA-N 1 0 375.472 3.557 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000503937507 849784412 /nfs/dbraw/zinc/78/44/12/849784412.db2.gz SJPDQQPZLRHHCG-GOSISDBHSA-N 1 0 389.377 3.742 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(C#N)c1 ZINC000434861500 849848340 /nfs/dbraw/zinc/84/83/40/849848340.db2.gz NQYSWVOZXZCLND-FDDCHVKYSA-N 1 0 391.515 3.937 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)ccc1OC(C)C ZINC000434881864 849868874 /nfs/dbraw/zinc/86/88/74/849868874.db2.gz YDSLVGLMODDDNY-PBHICJAKSA-N 1 0 399.516 3.872 20 30 GHEDRO C[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514542867 849987335 /nfs/dbraw/zinc/98/73/35/849987335.db2.gz QOGSZWYPSPWXLM-HZPDHXFCSA-N 1 0 397.548 3.847 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC000435042473 850005396 /nfs/dbraw/zinc/00/53/96/850005396.db2.gz NFXKCPVGSYJKOJ-OAQYLSRUSA-N 1 0 389.499 3.552 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000514561462 850007982 /nfs/dbraw/zinc/00/79/82/850007982.db2.gz XYOYVVAOPBLKIN-OAQYLSRUSA-N 1 0 381.545 3.991 20 30 GHEDRO N#CCOc1ccccc1C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000908411009 850084804 /nfs/dbraw/zinc/08/48/04/850084804.db2.gz KGUIQXRLEVGLPE-UHFFFAOYSA-N 1 0 376.416 3.578 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)cc1 ZINC000504503012 850103142 /nfs/dbraw/zinc/10/31/42/850103142.db2.gz JFJQATYLHDIQCJ-MCGOBGFWSA-N 1 0 383.536 3.804 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000505620779 850153738 /nfs/dbraw/zinc/15/37/38/850153738.db2.gz KSXCYRKFXWEZIM-UHFFFAOYSA-N 1 0 397.563 3.903 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000439645879 850223795 /nfs/dbraw/zinc/22/37/95/850223795.db2.gz KJHDWNJJCDRDKV-YTQUADARSA-N 1 0 376.566 3.979 20 30 GHEDRO CC1(C)CN([C@@H](C[NH2+]Cc2nc(C#N)cs2)c2ccc(Cl)cc2)CCO1 ZINC000518842925 850234380 /nfs/dbraw/zinc/23/43/80/850234380.db2.gz MARPNFANHOEOES-KRWDZBQOSA-N 1 0 390.940 3.610 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000908645729 850244418 /nfs/dbraw/zinc/24/44/18/850244418.db2.gz PBHBARDDQFRVTH-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000424144049 850246823 /nfs/dbraw/zinc/24/68/23/850246823.db2.gz ROSXOILDGZSZOP-MRXNPFEDSA-N 1 0 383.414 3.878 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000424129783 850257055 /nfs/dbraw/zinc/25/70/55/850257055.db2.gz TYWDFCUACSDPAZ-IBGZPJMESA-N 1 0 383.565 3.663 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424190323 850282278 /nfs/dbraw/zinc/28/22/78/850282278.db2.gz GAQJUAYCEXTEKO-FUHWJXTLSA-N 1 0 381.432 3.964 20 30 GHEDRO CCOc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000424197787 850286725 /nfs/dbraw/zinc/28/67/25/850286725.db2.gz OSECRJXFUCYFEJ-FXAWDEMLSA-N 1 0 393.487 3.885 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000108362993 850291703 /nfs/dbraw/zinc/29/17/03/850291703.db2.gz MVCKVFXETBTGFP-AOMKIAJQSA-N 1 0 399.514 3.523 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000522589816 862113178 /nfs/dbraw/zinc/11/31/78/862113178.db2.gz OUMBYERGWFTGSR-HDICACEKSA-N 1 0 395.503 3.828 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000486994151 850332173 /nfs/dbraw/zinc/33/21/73/850332173.db2.gz GEOZMTQDEXMMGZ-DNVCBOLYSA-N 1 0 379.932 3.756 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000518918246 850351861 /nfs/dbraw/zinc/35/18/61/850351861.db2.gz YQOCEYGVHBGRAS-UHFFFAOYSA-N 1 0 391.515 3.842 20 30 GHEDRO C[C@@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518919305 850352592 /nfs/dbraw/zinc/35/25/92/850352592.db2.gz QBOSUBNXSZGYGX-JTSKRJEESA-N 1 0 379.479 3.850 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000518967752 850417393 /nfs/dbraw/zinc/41/73/93/850417393.db2.gz YIRKDWHGBHOFGX-JOCHJYFZSA-N 1 0 391.515 3.888 20 30 GHEDRO COc1ccc(OCc2ccccn2)c(C[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000174559925 850436456 /nfs/dbraw/zinc/43/64/56/850436456.db2.gz BXSRLMYDTLUPOQ-UHFFFAOYSA-N 1 0 389.455 3.709 20 30 GHEDRO CC(C)C[C@H](CNC(=O)COc1ccccc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000518984455 850453604 /nfs/dbraw/zinc/45/36/04/850453604.db2.gz WTEGXQXIVGCBGG-GHTZIAJQSA-N 1 0 379.504 3.819 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000505011149 850520038 /nfs/dbraw/zinc/52/00/38/850520038.db2.gz QVMGUKPJXVCMMP-FYYLOGMGSA-N 1 0 393.531 3.810 20 30 GHEDRO C=CCC1(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000424547657 850520278 /nfs/dbraw/zinc/52/02/78/850520278.db2.gz USLFPGBVIGFUAG-UHFFFAOYSA-N 1 0 376.928 3.794 20 30 GHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN(C)CC[C@H](C)O)sc2C1 ZINC000426519954 850538347 /nfs/dbraw/zinc/53/83/47/850538347.db2.gz DCADIOSQBOMFEG-LSDHHAIUSA-N 1 0 391.581 3.802 20 30 GHEDRO C[NH+]=C(N[C@H](C)c1cccc(N2CCCC2)c1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262004143 850554185 /nfs/dbraw/zinc/55/41/85/850554185.db2.gz VDURKLWFRCPCOH-UMSONDCASA-N 1 0 384.568 3.716 20 30 GHEDRO C=CCC1(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)CCOCC1 ZINC000424590293 850569923 /nfs/dbraw/zinc/56/99/23/850569923.db2.gz FOTYHVULDNPKNZ-HXUWFJFHSA-N 1 0 386.536 3.711 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000487315226 850686829 /nfs/dbraw/zinc/68/68/29/850686829.db2.gz PYTDJCXLILNCOE-GHTZIAJQSA-N 1 0 394.515 3.900 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000424933638 850794262 /nfs/dbraw/zinc/79/42/62/850794262.db2.gz RHJBZXDLFIKFPS-SZMVWBNQSA-N 1 0 384.442 3.796 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000435735846 850822326 /nfs/dbraw/zinc/82/23/26/850822326.db2.gz QUTFCQMJSXGHQF-QAPCUYQASA-N 1 0 376.298 3.706 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000505337905 850833678 /nfs/dbraw/zinc/83/36/78/850833678.db2.gz MIHVDOWSTIGFGZ-HXUWFJFHSA-N 1 0 385.870 3.847 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000425407922 850842463 /nfs/dbraw/zinc/84/24/63/850842463.db2.gz SGULTBVPRPVCNS-IBGZPJMESA-N 1 0 390.531 3.968 20 30 GHEDRO C=CCN(CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)Cc1ccccc1 ZINC000519288753 850847617 /nfs/dbraw/zinc/84/76/17/850847617.db2.gz HYWXHAXSMGASGP-UHFFFAOYSA-N 1 0 391.559 3.718 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CC1 ZINC000555921701 862180257 /nfs/dbraw/zinc/18/02/57/862180257.db2.gz IDIPOTDJHGWSNK-UHFFFAOYSA-N 1 0 377.916 3.827 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000522619714 862196189 /nfs/dbraw/zinc/19/61/89/862196189.db2.gz XYNJWXDVYSHICN-MRXNPFEDSA-N 1 0 378.476 3.914 20 30 GHEDRO Cc1nc(SCC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000604439698 862207117 /nfs/dbraw/zinc/20/71/17/862207117.db2.gz HOWADZKASGZNBR-SPLOXXLWSA-N 1 0 388.581 3.597 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000515578282 851214072 /nfs/dbraw/zinc/21/40/72/851214072.db2.gz QTVHOBWCPJCUIO-UHFFFAOYSA-N 1 0 395.506 3.876 20 30 GHEDRO N#CCSCCC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000369525929 851223920 /nfs/dbraw/zinc/22/39/20/851223920.db2.gz DNHDPQJMWDRKFQ-UHFFFAOYSA-N 1 0 388.455 3.601 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1 ZINC000604482132 862224480 /nfs/dbraw/zinc/22/44/80/862224480.db2.gz AROSVMCILJBRRW-UTKZUKDTSA-N 1 0 379.504 3.798 20 30 GHEDRO C[C@@H](Oc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000604482162 862225264 /nfs/dbraw/zinc/22/52/64/862225264.db2.gz RMFSBODHPFBTIR-MRXNPFEDSA-N 1 0 385.895 3.569 20 30 GHEDRO N#CC1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CCCCC1 ZINC000505767955 851290881 /nfs/dbraw/zinc/29/08/81/851290881.db2.gz VNSHUDDIYDYXMR-UHFFFAOYSA-N 1 0 382.508 3.914 20 30 GHEDRO N#Cc1ccc(-n2c(=O)c3ccccc3nc2SCCC[NH+]2CCCC2)cc1 ZINC000436196443 851328089 /nfs/dbraw/zinc/32/80/89/851328089.db2.gz HLRGFDPVPPYKHS-UHFFFAOYSA-N 1 0 390.512 3.835 20 30 GHEDRO CC[N@H+](CCc1cccs1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000488322038 851408706 /nfs/dbraw/zinc/40/87/06/851408706.db2.gz IIVLOCJKCIDHOR-KRWDZBQOSA-N 1 0 385.533 3.956 20 30 GHEDRO C[N@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000604521430 862242422 /nfs/dbraw/zinc/24/24/22/862242422.db2.gz JRKSEYOHGQXLSO-PMVMPFDFSA-N 1 0 389.499 3.763 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000570151301 851491264 /nfs/dbraw/zinc/49/12/64/851491264.db2.gz AZNWTZWGWQOIGL-HSZRJFAPSA-N 1 0 390.531 3.702 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC(C)(C)CC2)cc1 ZINC000434703963 851493059 /nfs/dbraw/zinc/49/30/59/851493059.db2.gz BXQQNRMINLJTDX-UHFFFAOYSA-N 1 0 375.538 3.549 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000515823659 851528572 /nfs/dbraw/zinc/52/85/72/851528572.db2.gz OIXHQYBNFMACOQ-INIZCTEOSA-N 1 0 398.457 3.815 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1c(F)cc(OCC)cc1F)C2 ZINC001143569250 851533850 /nfs/dbraw/zinc/53/38/50/851533850.db2.gz YCMAGQIDTAOSEL-SFTDATJTSA-N 1 0 381.463 3.937 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1c(F)cc(OCC)cc1F)C2 ZINC001143569249 851533907 /nfs/dbraw/zinc/53/39/07/851533907.db2.gz YCMAGQIDTAOSEL-RTWAWAEBSA-N 1 0 381.463 3.937 20 30 GHEDRO COc1cc(C)c([C@H](C)NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425529014 851559217 /nfs/dbraw/zinc/55/92/17/851559217.db2.gz AIMXNNXJEKSWBT-IRXDYDNUSA-N 1 0 395.503 3.754 20 30 GHEDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000550101627 851566266 /nfs/dbraw/zinc/56/62/66/851566266.db2.gz PYEYSLLXOWTRFS-IBGZPJMESA-N 1 0 389.565 3.604 20 30 GHEDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1(C)C ZINC000436397185 851570399 /nfs/dbraw/zinc/57/03/99/851570399.db2.gz ZVOSORAODTZTRP-LADGPHEKSA-N 1 0 394.515 3.793 20 30 GHEDRO C[C@@H](C#N)CN(C)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000481787377 862259650 /nfs/dbraw/zinc/25/96/50/862259650.db2.gz LWKGWNYYZJLJHQ-FQEVSTJZSA-N 1 0 378.520 3.880 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000510016798 851602643 /nfs/dbraw/zinc/60/26/43/851602643.db2.gz YRKMOEKXYWIXNH-FQEVSTJZSA-N 1 0 384.455 3.528 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000425546899 851612134 /nfs/dbraw/zinc/61/21/34/851612134.db2.gz WKUQKEVOONDFBA-KBXCAEBGSA-N 1 0 389.293 3.753 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000061660886 862276507 /nfs/dbraw/zinc/27/65/07/862276507.db2.gz KSPVTOBFVFTHJT-NRFANRHFSA-N 1 0 381.907 3.828 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)o2)c1 ZINC000440464228 851883892 /nfs/dbraw/zinc/88/38/92/851883892.db2.gz BFEKEHDVHVSOOT-UHFFFAOYSA-N 1 0 384.443 3.864 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000425554473 851921035 /nfs/dbraw/zinc/92/10/35/851921035.db2.gz WFAYSBFYSUECKO-UHOSZYNNSA-N 1 0 379.932 3.613 20 30 GHEDRO CC[C@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1c(C)nn(C)c1C ZINC000329768063 862305789 /nfs/dbraw/zinc/30/57/89/862305789.db2.gz GEEKOVMEUCOASM-FQEVSTJZSA-N 1 0 389.588 3.990 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(F)cc2C#N)[NH+]2CCCC2)c1 ZINC000132892101 862310600 /nfs/dbraw/zinc/31/06/00/862310600.db2.gz DOSLKSFXHOXCFO-FQEVSTJZSA-N 1 0 382.439 3.665 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1Cl ZINC000329771025 862312209 /nfs/dbraw/zinc/31/22/09/862312209.db2.gz GMKQOCJUGMMKMT-GOSISDBHSA-N 1 0 380.879 3.937 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[NH+](Cc3ccccc3)CC2)nc1-c1ccco1 ZINC000028779815 852056490 /nfs/dbraw/zinc/05/64/90/852056490.db2.gz HRXADHOJOAUWDA-UHFFFAOYSA-N 1 0 395.532 3.635 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000517617101 852175853 /nfs/dbraw/zinc/17/58/53/852175853.db2.gz HDBQHNVRJLDEKG-QGZVFWFLSA-N 1 0 386.515 3.893 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000555971149 862332173 /nfs/dbraw/zinc/33/21/73/862332173.db2.gz GLXVUHPSWIPUGA-UHFFFAOYSA-N 1 0 399.579 3.738 20 30 GHEDRO N#Cc1ccccc1NC(=O)CCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000028887646 852217593 /nfs/dbraw/zinc/21/75/93/852217593.db2.gz FUAZJNKXBROPQJ-UHFFFAOYSA-N 1 0 398.510 3.858 20 30 GHEDRO CCc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cnn1-c1ccccc1 ZINC000329805060 862333194 /nfs/dbraw/zinc/33/31/94/862333194.db2.gz MPSARYSPGOFGQW-SFHVURJKSA-N 1 0 381.524 3.788 20 30 GHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1cccc(-n3cccn3)c1)CC2 ZINC000329805070 862333470 /nfs/dbraw/zinc/33/34/70/862333470.db2.gz MQDNTUSCRRVZPM-QFUCXCTJSA-N 1 0 381.524 3.794 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000516183710 852229531 /nfs/dbraw/zinc/22/95/31/852229531.db2.gz OMUFOIPROYLCLV-MRXNPFEDSA-N 1 0 395.469 3.867 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)CC[N@@H+]1C ZINC000329814777 862340454 /nfs/dbraw/zinc/34/04/54/862340454.db2.gz USFUTOCASRMHCS-AEFFLSMTSA-N 1 0 387.524 3.947 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC000506929275 852354539 /nfs/dbraw/zinc/35/45/39/852354539.db2.gz TUERMFDVDBTTPH-UHFFFAOYSA-N 1 0 397.357 3.796 20 30 GHEDRO CCOc1ccccc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000516315031 852414920 /nfs/dbraw/zinc/41/49/20/852414920.db2.gz HBLSLHIQVOSTBW-UHFFFAOYSA-N 1 0 399.494 3.725 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438443065 852427347 /nfs/dbraw/zinc/42/73/47/852427347.db2.gz KZZIJKCFLCHKTD-PDGJWGCVSA-N 1 0 385.552 3.835 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000438460140 852438386 /nfs/dbraw/zinc/43/83/86/852438386.db2.gz ZRUITXNWMDOPRD-SFTDATJTSA-N 1 0 377.573 3.511 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000438492951 852478682 /nfs/dbraw/zinc/47/86/82/852478682.db2.gz KYIRKAQFELJJRD-UHFFFAOYSA-N 1 0 387.487 3.678 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000516380365 852491983 /nfs/dbraw/zinc/49/19/83/852491983.db2.gz OXDMMHANQLCHCS-FQEVSTJZSA-N 1 0 385.515 3.965 20 30 GHEDRO C=CCOc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000506259435 852503076 /nfs/dbraw/zinc/50/30/76/852503076.db2.gz PYGKRDRGNFDKOD-UHFFFAOYSA-N 1 0 391.515 3.840 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000329844958 862367742 /nfs/dbraw/zinc/36/77/42/862367742.db2.gz XVPGVRLXNCNIJP-JPYJTQIMSA-N 1 0 398.551 3.917 20 30 GHEDRO Cc1ncc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c(C2CC2)n1 ZINC000329851567 862373911 /nfs/dbraw/zinc/37/39/11/862373911.db2.gz TXAWORRBXFOHJZ-UHFFFAOYSA-N 1 0 379.508 3.829 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000505954060 852686526 /nfs/dbraw/zinc/68/65/26/852686526.db2.gz RVWJBSWBUYTQSN-LJQANCHMSA-N 1 0 378.451 3.754 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1OCCc2ccccc21 ZINC000507225988 852690106 /nfs/dbraw/zinc/69/01/06/852690106.db2.gz AVECWRWVAWPPNQ-JLTOFOAXSA-N 1 0 383.879 3.784 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000517997249 852716446 /nfs/dbraw/zinc/71/64/46/852716446.db2.gz BQONZKZBYRJAOQ-UHFFFAOYSA-N 1 0 390.959 3.521 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427122205 852752533 /nfs/dbraw/zinc/75/25/33/852752533.db2.gz ARSYILVFINIAFA-DOTOQJQBSA-N 1 0 395.341 3.596 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 ZINC000669033446 852787744 /nfs/dbraw/zinc/78/77/44/852787744.db2.gz PJZGUCKPAFQRFI-NJYVYQBISA-N 1 0 393.535 3.650 20 30 GHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437846096 852842993 /nfs/dbraw/zinc/84/29/93/852842993.db2.gz XKVURHINRDIZMP-HXUWFJFHSA-N 1 0 396.535 3.580 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)([NH+](C)C)C1 ZINC000429596013 852915052 /nfs/dbraw/zinc/91/50/52/852915052.db2.gz VZTJZWDQVRQOBV-FDDCHVKYSA-N 1 0 393.535 3.704 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2c(F)cccc2C#N)c2ccccc2)CC1 ZINC000507510720 852989782 /nfs/dbraw/zinc/98/97/82/852989782.db2.gz PFRKKTDINDCRRK-QFIPXVFZSA-N 1 0 379.479 3.829 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000506031225 853008940 /nfs/dbraw/zinc/00/89/40/853008940.db2.gz KUQZAHORNYCMJO-UHFFFAOYSA-N 1 0 399.926 3.737 20 30 GHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccco1 ZINC000509594373 853027367 /nfs/dbraw/zinc/02/73/67/853027367.db2.gz FASQEKMLYACOCX-UZLBHIALSA-N 1 0 380.492 3.955 20 30 GHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437429961 853105823 /nfs/dbraw/zinc/10/58/23/853105823.db2.gz WHPYUVKAPDNLGE-YOEHRIQHSA-N 1 0 379.451 3.676 20 30 GHEDRO CC1(C#N)CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000506048227 853128721 /nfs/dbraw/zinc/12/87/21/853128721.db2.gz WJNKIIPIOGVWIS-UHFFFAOYSA-N 1 0 375.472 3.872 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000437504075 853187220 /nfs/dbraw/zinc/18/72/20/853187220.db2.gz ZJTRMAPZPUNKLA-HOYKHHGWSA-N 1 0 395.547 3.505 20 30 GHEDRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000507717527 853198412 /nfs/dbraw/zinc/19/84/12/853198412.db2.gz KDSDVKKOGWKUBN-MRXNPFEDSA-N 1 0 398.457 3.544 20 30 GHEDRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000507715907 853220161 /nfs/dbraw/zinc/22/01/61/853220161.db2.gz FSCYYPYQKKMFTE-MRXNPFEDSA-N 1 0 398.457 3.544 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1 ZINC000490760179 853223605 /nfs/dbraw/zinc/22/36/05/853223605.db2.gz PYILUUBELVENGL-IBGZPJMESA-N 1 0 392.503 3.678 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1OC ZINC000518340565 853238942 /nfs/dbraw/zinc/23/89/42/853238942.db2.gz FCILFSSEMZHAND-SFHVURJKSA-N 1 0 388.895 3.946 20 30 GHEDRO CCN(C(=O)NCC#Cc1ccccc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473871831 853261554 /nfs/dbraw/zinc/26/15/54/853261554.db2.gz GZOFNVBQAYILJF-OFNKIYASSA-N 1 0 375.516 3.905 20 30 GHEDRO CN1C(=O)C[C@H](C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1cccc(Cl)c1 ZINC000329948106 862446807 /nfs/dbraw/zinc/44/68/07/862446807.db2.gz KLXCACTYDLDSSX-AZUAARDMSA-N 1 0 389.927 3.690 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3ccco3)[NH+]3CCCC3)c2c1 ZINC000439131720 853304250 /nfs/dbraw/zinc/30/42/50/853304250.db2.gz IJDVFRNKYAMKHB-GOSISDBHSA-N 1 0 392.459 3.966 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncc(C#N)cc1Cl ZINC000491054484 853429096 /nfs/dbraw/zinc/42/90/96/853429096.db2.gz CCASVOLTWKGLEG-QGZVFWFLSA-N 1 0 382.895 3.591 20 30 GHEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(OC)cc1OC ZINC000491145199 853459527 /nfs/dbraw/zinc/45/95/27/853459527.db2.gz MLNOOGXQHPYHIT-UHFFFAOYSA-N 1 0 390.487 3.998 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000586789120 853549262 /nfs/dbraw/zinc/54/92/62/853549262.db2.gz ZQAHHQYDIYQJMT-DESBSMFKSA-N 1 0 377.488 3.826 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000586789673 853550152 /nfs/dbraw/zinc/55/01/52/853550152.db2.gz NBWGWKVXVIRMTJ-NRFANRHFSA-N 1 0 379.479 3.708 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)cc1C ZINC000055014895 853630454 /nfs/dbraw/zinc/63/04/54/853630454.db2.gz XEJBOXNPMZVFTH-UHFFFAOYSA-O 1 0 384.569 3.984 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)s1 ZINC000055014375 853630634 /nfs/dbraw/zinc/63/06/34/853630634.db2.gz LRVWNCPBJMFNBK-UHFFFAOYSA-O 1 0 376.571 3.737 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000164023021 853647821 /nfs/dbraw/zinc/64/78/21/853647821.db2.gz MOJJVQUSFGXXGZ-KRWDZBQOSA-N 1 0 386.536 3.600 20 30 GHEDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000519990901 853722544 /nfs/dbraw/zinc/72/25/44/853722544.db2.gz CVSZIVKPRQMJTD-INIZCTEOSA-N 1 0 393.491 3.662 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000571429336 853877447 /nfs/dbraw/zinc/87/74/47/853877447.db2.gz AGPJUVKWUMILMD-GOSISDBHSA-N 1 0 382.533 3.721 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330025249 862515801 /nfs/dbraw/zinc/51/58/01/862515801.db2.gz KIKPPRIUOCXWAJ-XKKVZHMUSA-N 1 0 375.557 3.776 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000571691695 853988244 /nfs/dbraw/zinc/98/82/44/853988244.db2.gz ILIMNKWNXJZQDT-UHFFFAOYSA-N 1 0 395.551 3.670 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441218946 853993228 /nfs/dbraw/zinc/99/32/28/853993228.db2.gz VCJQTFSETIQHJE-KURKYZTESA-N 1 0 387.549 3.768 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1O ZINC000164450309 854011300 /nfs/dbraw/zinc/01/13/00/854011300.db2.gz GRTMJHPDLWLIMB-HNNXBMFYSA-N 1 0 386.458 3.835 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000520268775 854019083 /nfs/dbraw/zinc/01/90/83/854019083.db2.gz BEJSEFXBGATWHG-QGZVFWFLSA-N 1 0 383.517 3.500 20 30 GHEDRO C=CCCC(C)(C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000664966524 854090506 /nfs/dbraw/zinc/09/05/06/854090506.db2.gz CZQAXLVSLSUTOK-NRFANRHFSA-N 1 0 399.579 3.959 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000330047588 862531633 /nfs/dbraw/zinc/53/16/33/862531633.db2.gz HUKVBUICGLLHMS-VQIMIIECSA-N 1 0 389.588 3.990 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc(C#N)c1 ZINC000588150791 854145154 /nfs/dbraw/zinc/14/51/54/854145154.db2.gz BGJMDXGZWZFOJJ-YADARESESA-N 1 0 388.515 3.927 20 30 GHEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000441364986 854148088 /nfs/dbraw/zinc/14/80/88/854148088.db2.gz OMLWVCZMYICXDB-PGRDOPGGSA-N 1 0 387.487 3.730 20 30 GHEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481928823 862535816 /nfs/dbraw/zinc/53/58/16/862535816.db2.gz SFOHMMXFBOJSDW-YCRPNKLZSA-N 1 0 383.517 3.585 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NCc1cccs1)[n+]1cccc(C)c1 ZINC000186961028 862537484 /nfs/dbraw/zinc/53/74/84/862537484.db2.gz PABACSBXBQQYHG-UHFFFAOYSA-O 1 0 386.522 3.677 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC001211858718 854298381 /nfs/dbraw/zinc/29/83/81/854298381.db2.gz CCBCEEYMUZTBSY-UHFFFAOYSA-N 1 0 397.972 3.733 20 30 GHEDRO C=CCOc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000113236604 854452571 /nfs/dbraw/zinc/45/25/71/854452571.db2.gz CQGZEHMFSAPWGD-IBGZPJMESA-N 1 0 394.515 3.881 20 30 GHEDRO C[C@@H]1C[C@H](C)[C@H](C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)O1 ZINC000328641795 854487115 /nfs/dbraw/zinc/48/71/15/854487115.db2.gz DLODVFBQMGMLGE-QMTMVMCOSA-N 1 0 380.916 3.953 20 30 GHEDRO CN(C(=O)[C@H]([NH3+])CCCC#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000572486998 854520243 /nfs/dbraw/zinc/52/02/43/854520243.db2.gz RYUDSWHEQWNQRF-MRXNPFEDSA-N 1 0 392.381 3.877 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccc2ccccc2c1 ZINC000328804753 854542178 /nfs/dbraw/zinc/54/21/78/854542178.db2.gz LORPDSHIAZZFNQ-ZIPUMODLSA-N 1 0 382.504 3.719 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000328797161 854560885 /nfs/dbraw/zinc/56/08/85/854560885.db2.gz VNRVWDPUOFSAIA-KRWDZBQOSA-N 1 0 388.508 3.685 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328833860 854567272 /nfs/dbraw/zinc/56/72/72/854567272.db2.gz RWPYQODEIHPJAP-VJUNAUMWSA-N 1 0 386.414 3.544 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1cccc2ccccc21 ZINC000328846101 854574253 /nfs/dbraw/zinc/57/42/53/854574253.db2.gz VLHNSSXKUHKHMU-ZIPUMODLSA-N 1 0 382.504 3.719 20 30 GHEDRO CN1CCC(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)([NH+]2CCCCC2)CC1 ZINC000328884198 854597431 /nfs/dbraw/zinc/59/74/31/854597431.db2.gz NRIFJKPUPGTNPZ-UHFFFAOYSA-N 1 0 398.551 3.821 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCc2cc(OC)ccc2C1)C(C)C ZINC000520437309 854604444 /nfs/dbraw/zinc/60/44/44/854604444.db2.gz PELYDAUQCKWDDS-JOCHJYFZSA-N 1 0 385.552 3.852 20 30 GHEDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481988736 862584030 /nfs/dbraw/zinc/58/40/30/862584030.db2.gz GIFXLUXTWBLMRV-QFIPXVFZSA-N 1 0 398.528 3.536 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3scnc3C3CC3)CC2)cc1 ZINC000328953524 854615032 /nfs/dbraw/zinc/61/50/32/854615032.db2.gz YAFXLZMNXBPHTA-UHFFFAOYSA-N 1 0 386.521 3.783 20 30 GHEDRO CC[N@@H+]1CCC[C@H](NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)C1 ZINC000328923862 854624051 /nfs/dbraw/zinc/62/40/51/854624051.db2.gz VDZAQTIJUNYYGC-KRWDZBQOSA-N 1 0 379.508 3.873 20 30 GHEDRO O=C(CC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1c(Cl)cccc1Cl ZINC000328977054 854638676 /nfs/dbraw/zinc/63/86/76/854638676.db2.gz QIPHVNJBLOLMTE-WQVCFCJDSA-N 1 0 387.307 3.833 20 30 GHEDRO O=C(Nc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1)[C@H]1CCCO1 ZINC000328986497 854642550 /nfs/dbraw/zinc/64/25/50/854642550.db2.gz ZZONSLQGGJHSNR-HXUWFJFHSA-N 1 0 385.508 3.544 20 30 GHEDRO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000328991397 854643474 /nfs/dbraw/zinc/64/34/74/854643474.db2.gz SMIFVLPKZVYDLS-NBHGPNQESA-N 1 0 383.536 3.742 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(/C([O-])=[NH+]/Cc2cn3ccsc3n2)CC1 ZINC000330119107 862587996 /nfs/dbraw/zinc/58/79/96/862587996.db2.gz ZIWMWNMRUMGPNE-MRXNPFEDSA-N 1 0 389.569 3.786 20 30 GHEDRO CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330554488 854691645 /nfs/dbraw/zinc/69/16/45/854691645.db2.gz GMYGVFZZHZKRKD-BBWFWOEESA-N 1 0 380.554 3.540 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(F)cc1C ZINC000330569076 854701530 /nfs/dbraw/zinc/70/15/30/854701530.db2.gz NTWVBUMFHUXETH-AWEZNQCLSA-N 1 0 379.476 3.518 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)CC2 ZINC000589343371 854799906 /nfs/dbraw/zinc/79/99/06/854799906.db2.gz VKDOGQVSNLZJMR-JXFKEZNVSA-N 1 0 385.305 3.749 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C[NH+]1CCCCC1 ZINC000589363727 854829151 /nfs/dbraw/zinc/82/91/51/854829151.db2.gz GVPFDNSCIWWNIG-KRWDZBQOSA-N 1 0 393.491 3.989 20 30 GHEDRO CC(C)[C@@H](CNC(=O)Nc1cn(C)nc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000331327723 854835995 /nfs/dbraw/zinc/83/59/95/854835995.db2.gz QLTWWMNYGSEWBW-CQSZACIVSA-N 1 0 375.439 3.521 20 30 GHEDRO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000330142507 862610761 /nfs/dbraw/zinc/61/07/61/862610761.db2.gz QPMONXXMFFGQFG-NJDAHSKKSA-N 1 0 393.535 3.688 20 30 GHEDRO COC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC001168611798 854846175 /nfs/dbraw/zinc/84/61/75/854846175.db2.gz GFQISGIGIUWLFK-LBPRGKRZSA-N 1 0 377.300 3.900 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(Cl)nc(N2CCCC2)c1)C(C)C ZINC000733001399 862631096 /nfs/dbraw/zinc/63/10/96/862631096.db2.gz QCDVLENVGAUDNT-GOSISDBHSA-N 1 0 390.959 3.764 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000765811453 855020378 /nfs/dbraw/zinc/02/03/78/855020378.db2.gz YAYRLCLAOCAUKO-XZOQPEGZSA-N 1 0 398.934 3.904 20 30 GHEDRO O=C(CN1CCS[C@H]2COCC[C@@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179689 862637419 /nfs/dbraw/zinc/63/74/19/862637419.db2.gz MQEKTHIMZZDIBS-HOTGVXAUSA-N 1 0 393.509 3.744 20 30 GHEDRO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000553525156 855094405 /nfs/dbraw/zinc/09/44/05/855094405.db2.gz UUGQOQNMWIUNMS-INIZCTEOSA-N 1 0 393.369 3.782 20 30 GHEDRO CC[C@]1(C)COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000536360672 855120615 /nfs/dbraw/zinc/12/06/15/855120615.db2.gz DLBODAHFTLPFEW-HXUWFJFHSA-N 1 0 375.538 3.718 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)[C@@H]2C1 ZINC000330182874 862643234 /nfs/dbraw/zinc/64/32/34/862643234.db2.gz HNLNVXDJSDCUHL-CZUORRHYSA-N 1 0 388.418 3.724 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)CC1 ZINC000106035339 855170942 /nfs/dbraw/zinc/17/09/42/855170942.db2.gz CZRWBBIUQUCMCB-UHFFFAOYSA-N 1 0 394.475 3.572 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000590190261 855315154 /nfs/dbraw/zinc/31/51/54/855315154.db2.gz GUISHVDOXBFISN-HUUCEWRRSA-N 1 0 377.423 3.561 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)n2)CC1 ZINC000330222171 862672182 /nfs/dbraw/zinc/67/21/82/862672182.db2.gz RPDPNCASLMJAED-NRFANRHFSA-N 1 0 399.514 3.968 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)n2)CC1 ZINC000330222172 862672452 /nfs/dbraw/zinc/67/24/52/862672452.db2.gz RPDPNCASLMJAED-OAQYLSRUSA-N 1 0 399.514 3.968 20 30 GHEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000590442039 855421484 /nfs/dbraw/zinc/42/14/84/855421484.db2.gz FVCMFZYQJAKYSD-ICSRJNTNSA-N 1 0 377.513 3.627 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000184663999 855489859 /nfs/dbraw/zinc/48/98/59/855489859.db2.gz HOAAQTCOXNGVCR-UHFFFAOYSA-N 1 0 384.867 3.874 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000465669432 855556344 /nfs/dbraw/zinc/55/63/44/855556344.db2.gz UAXOJVSFKUBNME-MOPGFXCFSA-N 1 0 376.504 3.925 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330250062 862694320 /nfs/dbraw/zinc/69/43/20/862694320.db2.gz GYEPNLRGMXYQTB-HCXYKTFWSA-N 1 0 375.561 3.710 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000056802490 855670983 /nfs/dbraw/zinc/67/09/83/855670983.db2.gz KNXSEAREWRNMMH-UHFFFAOYSA-N 1 0 384.455 3.692 20 30 GHEDRO Cc1cccc(NC2CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000182880445 855700906 /nfs/dbraw/zinc/70/09/06/855700906.db2.gz VZDXFAUAHUTCLS-QHCPKHFHSA-N 1 0 388.515 3.939 20 30 GHEDRO C[NH+]1CCC(N(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2ccccc2)CC1 ZINC000590978807 855725534 /nfs/dbraw/zinc/72/55/34/855725534.db2.gz DGUCOZUOXWASGE-UHFFFAOYSA-N 1 0 388.393 3.713 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cc2)C1 ZINC000301622612 855729512 /nfs/dbraw/zinc/72/95/12/855729512.db2.gz FVTPOZQQBNMVCH-HZPDHXFCSA-N 1 0 379.464 3.951 20 30 GHEDRO CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CC2 ZINC000330279723 862716610 /nfs/dbraw/zinc/71/66/10/862716610.db2.gz RMBWSSQGKLVFCR-VSKRKVRLSA-N 1 0 385.552 3.679 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)nn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301961845 855789543 /nfs/dbraw/zinc/78/95/43/855789543.db2.gz IGMKFHMCXWLWDP-KSSFIOAISA-N 1 0 375.398 3.862 20 30 GHEDRO N#Cc1ccnc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000302089560 855814220 /nfs/dbraw/zinc/81/42/20/855814220.db2.gz APMXCHYGWQRAQE-CEXWTWQISA-N 1 0 377.448 3.574 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2CNc2cc(C#N)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302223275 855841655 /nfs/dbraw/zinc/84/16/55/855841655.db2.gz UBPQVFNCXRCHTM-HOTGVXAUSA-N 1 0 380.448 3.688 20 30 GHEDRO CC(C)[NH2+]C1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000108371995 855851623 /nfs/dbraw/zinc/85/16/23/855851623.db2.gz PHTPQSPCPNCISR-HNNXBMFYSA-N 1 0 388.581 3.678 20 30 GHEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000302467723 855869517 /nfs/dbraw/zinc/86/95/17/855869517.db2.gz SWVFVVMLSHYIGD-HXUWFJFHSA-N 1 0 389.421 3.650 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)cn2)cc1 ZINC000591276957 855879355 /nfs/dbraw/zinc/87/93/55/855879355.db2.gz FVDCCRFCJFLTNK-IBGZPJMESA-N 1 0 379.464 3.775 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591335397 855894543 /nfs/dbraw/zinc/89/45/43/855894543.db2.gz MUCRWYYMIJXJMX-REWPJTCUSA-N 1 0 388.515 3.757 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC2)c1 ZINC000554417320 855898853 /nfs/dbraw/zinc/89/88/53/855898853.db2.gz GHDOTNKIUVRXBK-UHFFFAOYSA-N 1 0 394.544 3.820 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441672577 855923106 /nfs/dbraw/zinc/92/31/06/855923106.db2.gz FXIIAAKHEGJCDA-MOPGFXCFSA-N 1 0 398.551 3.779 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441672583 855923158 /nfs/dbraw/zinc/92/31/58/855923158.db2.gz FXIIAAKHEGJCDA-RTBURBONSA-N 1 0 398.551 3.779 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCCc4ccc([N+](=O)[O-])cc43)CC2)nc1 ZINC000591348037 855944179 /nfs/dbraw/zinc/94/41/79/855944179.db2.gz XYSOAPXJRUYJOV-NRFANRHFSA-N 1 0 391.475 3.888 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000542811145 855968300 /nfs/dbraw/zinc/96/83/00/855968300.db2.gz KVZVNOKRHOMOOK-OXJNMPFZSA-N 1 0 391.471 3.566 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H](CC#N)C2)C[C@@H]1C(F)(F)F ZINC001168558389 855982781 /nfs/dbraw/zinc/98/27/81/855982781.db2.gz JNCUEUWSZLQYGP-QLFBSQMISA-N 1 0 375.435 3.942 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000542815175 855985051 /nfs/dbraw/zinc/98/50/51/855985051.db2.gz OROYYQZJSNFIQV-KDURUIRLSA-N 1 0 382.552 4.000 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000171231100 856055060 /nfs/dbraw/zinc/05/50/60/856055060.db2.gz FMZLXTFIODOZRM-AWEZNQCLSA-N 1 0 380.439 3.936 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000573423938 856118730 /nfs/dbraw/zinc/11/87/30/856118730.db2.gz VOUZCFBYNXYRNB-JOCHJYFZSA-N 1 0 375.472 3.741 20 30 GHEDRO Cc1cc2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2[nH]1 ZINC000171403908 856123294 /nfs/dbraw/zinc/12/32/94/856123294.db2.gz WSVYQPILGNZFDJ-UHFFFAOYSA-N 1 0 375.476 3.944 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459135266 856124814 /nfs/dbraw/zinc/12/48/14/856124814.db2.gz YTRYOLLFQAJUDW-UHFFFAOYSA-N 1 0 388.409 3.503 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)CC1 ZINC000171607214 856202154 /nfs/dbraw/zinc/20/21/54/856202154.db2.gz FVTMTXKRCMVNDB-HXUWFJFHSA-N 1 0 381.524 3.758 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000591763819 856231484 /nfs/dbraw/zinc/23/14/84/856231484.db2.gz KVUIKDOTYJPSDT-CRAIPNDOSA-N 1 0 376.378 3.594 20 30 GHEDRO N#CCOc1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000171769299 862773636 /nfs/dbraw/zinc/77/36/36/862773636.db2.gz IORGYOUIDNHDKO-UHFFFAOYSA-N 1 0 397.276 3.827 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485263217 856279083 /nfs/dbraw/zinc/27/90/83/856279083.db2.gz WBPJMMNRJNAOQE-JTSKRJEESA-N 1 0 377.488 3.673 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000172205265 856370672 /nfs/dbraw/zinc/37/06/72/856370672.db2.gz AQVFUXAJOXWRRF-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(c3c(C#N)cnc4c(Cl)cccc43)CC2)CC1 ZINC000591925404 856403401 /nfs/dbraw/zinc/40/34/01/856403401.db2.gz RECDSZJGNVCRNQ-UHFFFAOYSA-N 1 0 397.954 3.755 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccc(Br)cc32)CC1 ZINC000905550950 856405626 /nfs/dbraw/zinc/40/56/26/856405626.db2.gz LNTWMSDFWQKTOT-GOEBONIOSA-N 1 0 391.309 3.840 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624828243 856442466 /nfs/dbraw/zinc/44/24/66/856442466.db2.gz DOLJGCVBFYFLKL-UHFFFAOYSA-N 1 0 395.551 3.521 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(CC#N)cc1 ZINC000573801848 856485684 /nfs/dbraw/zinc/48/56/84/856485684.db2.gz POSSONNYNXGJSX-KRWDZBQOSA-N 1 0 375.472 3.697 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccn3Cc3ccccc3)CC2)c1 ZINC000593883608 862814319 /nfs/dbraw/zinc/81/43/19/862814319.db2.gz QONUDJVVGBVKNR-UHFFFAOYSA-N 1 0 398.510 3.802 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000507881179 856623628 /nfs/dbraw/zinc/62/36/28/856623628.db2.gz FEGAAFMWIGZQHI-LJQANCHMSA-N 1 0 378.451 3.754 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000485471620 856633864 /nfs/dbraw/zinc/63/38/64/856633864.db2.gz ZPXYLBMBZWJBIA-UHFFFAOYSA-N 1 0 395.572 3.642 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000542885198 856652113 /nfs/dbraw/zinc/65/21/13/856652113.db2.gz UWDQZUXJLJACBG-FDDCHVKYSA-N 1 0 391.515 4.000 20 30 GHEDRO C[C@@H](NC(=O)C[NH+]1CCC(CCC#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000592135508 856672469 /nfs/dbraw/zinc/67/24/69/856672469.db2.gz JUKGFTNAINSRQO-CQSZACIVSA-N 1 0 383.414 3.778 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccccc3C)CC2)cc1 ZINC000592137175 856673846 /nfs/dbraw/zinc/67/38/46/856673846.db2.gz FSKSJODPKCIEJZ-UHFFFAOYSA-N 1 0 377.488 3.919 20 30 GHEDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCOCC1 ZINC000592373498 856787015 /nfs/dbraw/zinc/78/70/15/856787015.db2.gz XHQGYQBNDOLDFQ-UHFFFAOYSA-N 1 0 398.425 3.805 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@]1(C#N)CC3CCC1CC3)c1ccccc1O2 ZINC000906106073 856832637 /nfs/dbraw/zinc/83/26/37/856832637.db2.gz GMACSLLHWYDLGF-NXPMXCEHSA-N 1 0 393.531 3.811 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3c3cnn(C)c3)sc2C1 ZINC000245432833 856848671 /nfs/dbraw/zinc/84/86/71/856848671.db2.gz BOBBVKZUBLYDEA-KDOFPFPSSA-N 1 0 397.548 3.644 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1SCCc2sccc21 ZINC000173580599 857003487 /nfs/dbraw/zinc/00/34/87/857003487.db2.gz WKVZAIFIKHXNLA-IBGZPJMESA-N 1 0 385.558 3.541 20 30 GHEDRO N#CCc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000592668761 857006365 /nfs/dbraw/zinc/00/63/65/857006365.db2.gz DGAUOZIHUFIREK-HXUWFJFHSA-N 1 0 383.442 3.526 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000173815629 857162461 /nfs/dbraw/zinc/16/24/61/857162461.db2.gz OASIWAXFKRVQJI-OAQYLSRUSA-N 1 0 391.515 3.941 20 30 GHEDRO C=CCC1(NC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CCOCC1 ZINC000665257540 857172799 /nfs/dbraw/zinc/17/27/99/857172799.db2.gz MLPOUKHOBSLHGS-HNNXBMFYSA-N 1 0 378.542 3.622 20 30 GHEDRO CN(C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174243963 857235216 /nfs/dbraw/zinc/23/52/16/857235216.db2.gz URFLBWBHTCVRAJ-HXUWFJFHSA-N 1 0 380.467 3.503 20 30 GHEDRO CN(C(=O)CSc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093326 857311667 /nfs/dbraw/zinc/31/16/67/857311667.db2.gz BVSQQUXXTIJOOM-UHFFFAOYSA-N 1 0 379.529 3.773 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC3(CC3(F)F)CC2)sc2c1CCCC2 ZINC000593075213 857337364 /nfs/dbraw/zinc/33/73/64/857337364.db2.gz BDPZOZFYRNCDOJ-UHFFFAOYSA-N 1 0 379.476 3.948 20 30 GHEDRO N#CC(CC[NH+]1CCC(Cn2cnnc2)CC1)(c1ccccc1)c1ccccc1 ZINC000593077937 857341939 /nfs/dbraw/zinc/34/19/39/857341939.db2.gz SNLRHJUDXGUMBC-UHFFFAOYSA-N 1 0 385.515 3.890 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl ZINC001168757551 857379786 /nfs/dbraw/zinc/37/97/86/857379786.db2.gz GWHAEMJSDUWRMG-HXUWFJFHSA-N 1 0 380.875 3.926 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000174905382 857405886 /nfs/dbraw/zinc/40/58/86/857405886.db2.gz NQIPBNNVPFLANY-JOCHJYFZSA-N 1 0 377.488 3.649 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000486074297 857409864 /nfs/dbraw/zinc/40/98/64/857409864.db2.gz NSPATXJNZWFRRM-NRFANRHFSA-N 1 0 379.529 3.912 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccc(C#N)cc1 ZINC000174935394 857410022 /nfs/dbraw/zinc/41/00/22/857410022.db2.gz DSVQAALLBZBBAK-FQEVSTJZSA-N 1 0 379.529 3.631 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000907090494 857477375 /nfs/dbraw/zinc/47/73/75/857477375.db2.gz WIRCCQBBAZBYNK-FQEVSTJZSA-N 1 0 390.487 3.600 20 30 GHEDRO C[C@@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000499579952 857574865 /nfs/dbraw/zinc/57/48/65/857574865.db2.gz QLWXILRMDSALIG-QGZVFWFLSA-N 1 0 377.492 3.572 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000521098892 857596253 /nfs/dbraw/zinc/59/62/53/857596253.db2.gz NGZUWCCRZISKHN-JOCHJYFZSA-N 1 0 391.515 3.796 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000574312214 857692925 /nfs/dbraw/zinc/69/29/25/857692925.db2.gz KLWMRKODNJSPIJ-FQEVSTJZSA-N 1 0 384.476 3.697 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419613857 857726867 /nfs/dbraw/zinc/72/68/67/857726867.db2.gz LQYBKNNMDAZFCQ-JOCHJYFZSA-N 1 0 376.504 3.709 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CCOc3ccc(C#N)cc3)CCN2C2CC2)c1 ZINC000574416070 857793118 /nfs/dbraw/zinc/79/31/18/857793118.db2.gz IEUBPQHPPIGCMV-DHIUTWEWSA-N 1 0 377.488 3.513 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000249082920 862957492 /nfs/dbraw/zinc/95/74/92/862957492.db2.gz RWIAZFFZCLBVPP-DQLDELGASA-N 1 0 381.451 3.581 20 30 GHEDRO C[NH+](C)CC(C)(C)CN(C(=O)CCCCC#N)c1ccc(Br)cn1 ZINC000594014063 857864708 /nfs/dbraw/zinc/86/47/08/857864708.db2.gz LEEXNFVFUCXGAY-UHFFFAOYSA-N 1 0 395.345 3.849 20 30 GHEDRO Cc1nc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)ccc1C#N ZINC000486571102 857874030 /nfs/dbraw/zinc/87/40/30/857874030.db2.gz KZSVWHRIVIPMJZ-HXUWFJFHSA-N 1 0 398.457 3.885 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000466035132 857933569 /nfs/dbraw/zinc/93/35/69/857933569.db2.gz CAWZLFYXWHLDSK-UTKZUKDTSA-N 1 0 392.503 3.936 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000330332502 862972783 /nfs/dbraw/zinc/97/27/83/862972783.db2.gz OZNBUPFDKGUIJF-IUPKNAOTSA-N 1 0 382.302 3.503 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CC(C)(C)CCC#N)CCO2 ZINC000922127616 857992117 /nfs/dbraw/zinc/99/21/17/857992117.db2.gz PGEFSFDWKARYQR-QGZVFWFLSA-N 1 0 379.545 3.855 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000574613752 858115327 /nfs/dbraw/zinc/11/53/27/858115327.db2.gz NOHUNNWKRNVIAW-UHFFFAOYSA-N 1 0 396.516 3.553 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000594429258 858174149 /nfs/dbraw/zinc/17/41/49/858174149.db2.gz RPFZNJXLRSFTAJ-GOSISDBHSA-N 1 0 390.915 3.752 20 30 GHEDRO COc1ccc(-c2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)cc1Cl ZINC000594428260 858174174 /nfs/dbraw/zinc/17/41/74/858174174.db2.gz XKDHQXXCECYCPG-CYBMUJFWSA-N 1 0 378.885 3.822 20 30 GHEDRO COc1ccccc1[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594433218 858176700 /nfs/dbraw/zinc/17/67/00/858176700.db2.gz MIEAXIBUHKDEHH-UYAOXDASSA-N 1 0 385.895 3.965 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000594442220 858178397 /nfs/dbraw/zinc/17/83/97/858178397.db2.gz BZTNDTSNBLCPFW-SFHVURJKSA-N 1 0 384.867 3.942 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000594427684 858185591 /nfs/dbraw/zinc/18/55/91/858185591.db2.gz WATDDLKNAPYKJE-GFCCVEGCSA-N 1 0 378.192 3.818 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000594496891 858192401 /nfs/dbraw/zinc/19/24/01/858192401.db2.gz YVUNSRFTGFRSHF-OAQYLSRUSA-N 1 0 377.488 3.895 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594552100 858202836 /nfs/dbraw/zinc/20/28/36/858202836.db2.gz YOYPIDGCSAYPDS-NNWRFLSQSA-N 1 0 382.552 3.545 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)ccc1S(C)(=O)=O ZINC000594517583 858206752 /nfs/dbraw/zinc/20/67/52/858206752.db2.gz ZIOVFRANQVKAJB-OAHLLOKOSA-N 1 0 384.501 3.700 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cn2)C[C@H](C)O1 ZINC000594924597 858305979 /nfs/dbraw/zinc/30/59/79/858305979.db2.gz KDFLSPWALZIPLD-HDICACEKSA-N 1 0 376.504 3.540 20 30 GHEDRO CC[C@@H](CC(F)F)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000594924020 858306048 /nfs/dbraw/zinc/30/60/48/858306048.db2.gz KSXZBZXRUZMENY-INIZCTEOSA-N 1 0 385.458 3.960 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)cc2)CC1 ZINC000594941565 858340845 /nfs/dbraw/zinc/34/08/45/858340845.db2.gz VSOGTXCPOQZULT-UHFFFAOYSA-N 1 0 382.895 3.618 20 30 GHEDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000594959467 858345991 /nfs/dbraw/zinc/34/59/91/858345991.db2.gz DJWZTPPAVRQPBH-NTOOTBGVSA-N 1 0 382.529 3.917 20 30 GHEDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000594993351 858361023 /nfs/dbraw/zinc/36/10/23/858361023.db2.gz PCUVCPTWIKXGDG-IBGZPJMESA-N 1 0 391.515 3.874 20 30 GHEDRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000521846750 858362843 /nfs/dbraw/zinc/36/28/43/858362843.db2.gz GXCXBVROEHRDEI-KRWDZBQOSA-N 1 0 399.922 3.878 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]([NH+](C)C)CC1 ZINC000574864098 858396959 /nfs/dbraw/zinc/39/69/59/858396959.db2.gz NJMZRZDZQIOFDV-HOTGVXAUSA-N 1 0 388.581 3.632 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1Cl ZINC000595227939 858445938 /nfs/dbraw/zinc/44/59/38/858445938.db2.gz OFYWKWSGOYINSR-UARVQCNDSA-N 1 0 380.879 3.869 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)CC[C@@H]([NH3+])CC3CCCCC3)CCOCC2)c1 ZINC000595257645 858456015 /nfs/dbraw/zinc/45/60/15/858456015.db2.gz MZEKQJYHUXUXJZ-OAQYLSRUSA-N 1 0 383.536 3.758 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000115372871 858512047 /nfs/dbraw/zinc/51/20/47/858512047.db2.gz ZDQXAXCGAPAQLK-UHFFFAOYSA-N 1 0 389.499 3.908 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509669 858549135 /nfs/dbraw/zinc/54/91/35/858549135.db2.gz HAYWQEFYBXOVGC-MRXNPFEDSA-N 1 0 396.922 3.793 20 30 GHEDRO N#CCC[C@H](NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000595566298 858554970 /nfs/dbraw/zinc/55/49/70/858554970.db2.gz DMBPJEFJXMXKKX-QFIPXVFZSA-N 1 0 391.519 3.638 20 30 GHEDRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@H](CC#N)C3)ccc2c1 ZINC000595613305 858630884 /nfs/dbraw/zinc/63/08/84/858630884.db2.gz AJDLSMWYRCMBCV-QZTJIDSGSA-N 1 0 379.504 3.821 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000595684562 858632147 /nfs/dbraw/zinc/63/21/47/858632147.db2.gz OTAOVXQZFFQQFV-LJQANCHMSA-N 1 0 387.867 3.526 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000595685569 858646745 /nfs/dbraw/zinc/64/67/45/858646745.db2.gz GQZPHXUKGQAIPY-AZUAARDMSA-N 1 0 382.533 3.545 20 30 GHEDRO COC(=O)c1cc2cc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)ccc2o1 ZINC000595763841 858662671 /nfs/dbraw/zinc/66/26/71/858662671.db2.gz DRENKIZPOOYATL-UHFFFAOYSA-N 1 0 390.439 3.887 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)C2CCC(F)CC2)cc1 ZINC000595818739 858682574 /nfs/dbraw/zinc/68/25/74/858682574.db2.gz IAIUIAKKLQJFIU-WWDZGPRUSA-N 1 0 375.488 3.838 20 30 GHEDRO CC(C)c1cccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595775955 858683016 /nfs/dbraw/zinc/68/30/16/858683016.db2.gz ZXYVJAXJHVGTDV-UHFFFAOYSA-N 1 0 377.488 3.916 20 30 GHEDRO CC(C)c1ccccc1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595774725 858683533 /nfs/dbraw/zinc/68/35/33/858683533.db2.gz QMAIDQGMCURYGK-UHFFFAOYSA-N 1 0 377.488 3.916 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000595831341 858702694 /nfs/dbraw/zinc/70/26/94/858702694.db2.gz NZJQTQWLOBJHTE-SFTDATJTSA-N 1 0 378.472 3.614 20 30 GHEDRO N#CCCC[C@H](NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000595871177 858720194 /nfs/dbraw/zinc/72/01/94/858720194.db2.gz IQSHQHKDCUEAFE-YADHBBJMSA-N 1 0 376.504 3.995 20 30 GHEDRO N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000522176977 858722821 /nfs/dbraw/zinc/72/28/21/858722821.db2.gz JZOXPLCQFWCQOU-LJQANCHMSA-N 1 0 378.476 3.615 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000596063317 858768694 /nfs/dbraw/zinc/76/86/94/858768694.db2.gz LJJBNXPEBJYHLV-HXUWFJFHSA-N 1 0 394.519 3.806 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000596063885 858769345 /nfs/dbraw/zinc/76/93/45/858769345.db2.gz OZEZYEZCZYSALJ-OAQYLSRUSA-N 1 0 383.536 3.875 20 30 GHEDRO Cn1ncc(C#N)c1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000596130735 858787203 /nfs/dbraw/zinc/78/72/03/858787203.db2.gz FEJPVGZQAJBAPZ-WMLDXEAASA-N 1 0 377.414 3.806 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3cn[nH]c3)CC1)CCCCC2 ZINC000507206565 858791066 /nfs/dbraw/zinc/79/10/66/858791066.db2.gz CMCDMLFZEPRPNG-UHFFFAOYSA-N 1 0 397.548 3.820 20 30 GHEDRO Cc1cc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596230887 858822807 /nfs/dbraw/zinc/82/28/07/858822807.db2.gz DKHWFJXYXOTQDO-QFIPXVFZSA-N 1 0 376.460 3.877 20 30 GHEDRO N#Cc1cc(Cl)cc(Br)c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596267901 858831237 /nfs/dbraw/zinc/83/12/37/858831237.db2.gz BZFAGKRNBAXCLQ-UHFFFAOYSA-N 1 0 398.732 3.665 20 30 GHEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cn(C)c2ccccc12 ZINC000185006378 858836300 /nfs/dbraw/zinc/83/63/00/858836300.db2.gz UZKHPDVMZSAVFH-SFHVURJKSA-N 1 0 388.515 3.744 20 30 GHEDRO N#Cc1ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C(F)(F)F ZINC000596422576 858892706 /nfs/dbraw/zinc/89/27/06/858892706.db2.gz FOLJHEDECVOZCW-GOSISDBHSA-N 1 0 375.394 3.756 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596439351 858897118 /nfs/dbraw/zinc/89/71/18/858897118.db2.gz ARHVHYKUIFKRMZ-UHFFFAOYSA-N 1 0 375.398 3.691 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2C)c1C#N ZINC000482845729 858914259 /nfs/dbraw/zinc/91/42/59/858914259.db2.gz ROWYFNJDRNTKPM-HOCLYGCPSA-N 1 0 382.483 3.833 20 30 GHEDRO CC(C)Oc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccn1 ZINC000593184008 858924842 /nfs/dbraw/zinc/92/48/42/858924842.db2.gz RPBHEUDLUKDCHP-UHFFFAOYSA-N 1 0 393.491 3.527 20 30 GHEDRO CC(C)[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000060208181 858941618 /nfs/dbraw/zinc/94/16/18/858941618.db2.gz BOOISQUDBLNKNF-UHFFFAOYSA-N 1 0 385.895 3.617 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cccc(N4CCCC4)c3)CC2)cc1 ZINC000596696123 859011806 /nfs/dbraw/zinc/01/18/06/859011806.db2.gz ZVYQTTBPWWGNQX-UHFFFAOYSA-N 1 0 388.515 3.507 20 30 GHEDRO CC(C)(C)OC[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000923092679 859015022 /nfs/dbraw/zinc/01/50/22/859015022.db2.gz TXTKXCCWJZRXAS-NRFANRHFSA-N 1 0 398.551 3.512 20 30 GHEDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000625854229 859026879 /nfs/dbraw/zinc/02/68/79/859026879.db2.gz CUMOVJDZLIEWCE-WPRPVWTQSA-N 1 0 387.299 3.836 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000522319968 859034518 /nfs/dbraw/zinc/03/45/18/859034518.db2.gz ZKNDITODZVNXSF-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482991052 859045842 /nfs/dbraw/zinc/04/58/42/859045842.db2.gz SJLNSTZKLBHMMG-WMLDXEAASA-N 1 0 391.309 3.663 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000483032598 859079916 /nfs/dbraw/zinc/07/99/16/859079916.db2.gz ZWXRJOTWGIBJJV-KNQAVFIVSA-N 1 0 397.563 3.533 20 30 GHEDRO N#CC1(C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)CCCCC1 ZINC000923185094 859106264 /nfs/dbraw/zinc/10/62/64/859106264.db2.gz ZKTWRHJXDHHIFB-OAQYLSRUSA-N 1 0 395.547 3.790 20 30 GHEDRO N#Cc1cc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1OC(F)(F)F ZINC000596894827 859132331 /nfs/dbraw/zinc/13/23/31/859132331.db2.gz NQYOZGNDAKMWPC-UHFFFAOYSA-N 1 0 396.413 3.700 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000596895612 859133335 /nfs/dbraw/zinc/13/33/35/859133335.db2.gz VUKXPXTWTQCQPH-GFCCVEGCSA-N 1 0 384.402 3.699 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483101243 859137287 /nfs/dbraw/zinc/13/72/87/859137287.db2.gz IGGVUTXJEWLRSC-HKUYNNGSSA-N 1 0 395.478 3.959 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C)C[C@H](C)C2)c1C#N ZINC000443643699 859142223 /nfs/dbraw/zinc/14/22/23/859142223.db2.gz VZMADHDTWBGJQB-HOTGVXAUSA-N 1 0 382.508 3.924 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c([N+](=O)[O-])c1 ZINC001170353742 881390200 /nfs/dbraw/zinc/39/02/00/881390200.db2.gz DTATVLAURYKLIN-IERDGZPVSA-N 1 0 395.459 3.949 20 30 GHEDRO Cc1ncsc1-c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000596983449 859211401 /nfs/dbraw/zinc/21/14/01/859211401.db2.gz ZDZWZHHNPSUOPC-UHFFFAOYSA-N 1 0 375.501 3.707 20 30 GHEDRO Cc1c(Br)cncc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000596983398 859211699 /nfs/dbraw/zinc/21/16/99/859211699.db2.gz YCZTUIPXWLESMA-UHFFFAOYSA-N 1 0 399.336 3.732 20 30 GHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000466385378 859293125 /nfs/dbraw/zinc/29/31/25/859293125.db2.gz DSSFHTVERGFAHV-LBPRGKRZSA-N 1 0 375.250 3.753 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c1 ZINC000597227532 859362256 /nfs/dbraw/zinc/36/22/56/859362256.db2.gz GDBZFOAYCGFIGM-HXUWFJFHSA-N 1 0 389.499 3.582 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)C1=O ZINC000499733606 859397488 /nfs/dbraw/zinc/39/74/88/859397488.db2.gz KYYXTLSPOWKLKG-LPHOPBHVSA-N 1 0 397.544 3.785 20 30 GHEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000509426848 859400772 /nfs/dbraw/zinc/40/07/72/859400772.db2.gz VOKLTIPILUEYOQ-FQEVSTJZSA-N 1 0 391.450 3.784 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(S(=O)(=O)CC)c2)ccc1OC ZINC000466416503 859413511 /nfs/dbraw/zinc/41/35/11/859413511.db2.gz SGDHJUXFCVXQSN-UHFFFAOYSA-N 1 0 389.517 3.734 20 30 GHEDRO C[C@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593318776 859415613 /nfs/dbraw/zinc/41/56/13/859415613.db2.gz HHUYFWATGMBWRU-QGZVFWFLSA-N 1 0 394.494 3.765 20 30 GHEDRO N#Cc1cccc(CC[NH2+]Cc2c(F)ccc(I)c2F)c1 ZINC000466425252 859454888 /nfs/dbraw/zinc/45/48/88/859454888.db2.gz LSTJFYCWFXURCL-UHFFFAOYSA-N 1 0 398.194 3.773 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+](Cc3cccc(C#N)c3)CC1)CC2 ZINC000593337472 859484446 /nfs/dbraw/zinc/48/44/46/859484446.db2.gz CSQXRTVEYHWVIO-QHCPKHFHSA-N 1 0 388.515 3.818 20 30 GHEDRO C[C@@H](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+]1CCCCC1 ZINC000543382249 859495300 /nfs/dbraw/zinc/49/53/00/859495300.db2.gz YNMHEZFNQKSJPM-KRWDZBQOSA-N 1 0 378.476 3.740 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000601744296 859518906 /nfs/dbraw/zinc/51/89/06/859518906.db2.gz JWQIGSYEPQREDA-UHFFFAOYSA-N 1 0 390.325 3.801 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3coc(C4CCCC4)n3)CC2)c1 ZINC000593351551 859528609 /nfs/dbraw/zinc/52/86/09/859528609.db2.gz LSSKNEXMNXVODQ-UHFFFAOYSA-N 1 0 378.476 3.598 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CSCc3ccc(F)cc3)CC2)c1 ZINC000593351904 859531543 /nfs/dbraw/zinc/53/15/43/859531543.db2.gz AAWNFMYBLCEUPQ-UHFFFAOYSA-N 1 0 397.519 3.711 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(-c4ccccc4)on3)CC2)c1 ZINC000593351981 859532794 /nfs/dbraw/zinc/53/27/94/859532794.db2.gz BEXSNVJLMZSMKM-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)CC2)c1 ZINC000593348796 859539329 /nfs/dbraw/zinc/53/93/29/859539329.db2.gz MJUHQFFVQLRAGI-IAGOWNOFSA-N 1 0 379.426 3.617 20 30 GHEDRO Cc1ccc2cccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c2n1 ZINC000593355447 859544407 /nfs/dbraw/zinc/54/44/07/859544407.db2.gz XLAFYGRMYHKKBS-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)CC2)c1 ZINC000593353271 859546582 /nfs/dbraw/zinc/54/65/82/859546582.db2.gz IZRFLGBMMIAZRW-ZCYQVOJMSA-N 1 0 385.511 3.543 20 30 GHEDRO CCOc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1C ZINC000593354547 859554991 /nfs/dbraw/zinc/55/49/91/859554991.db2.gz RHEGSBVETLJDCW-UHFFFAOYSA-N 1 0 377.488 3.660 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)CC2)c1 ZINC000593354560 859555282 /nfs/dbraw/zinc/55/52/82/859555282.db2.gz SAHYHVYCMXFUQD-PMACEKPBSA-N 1 0 395.453 3.721 20 30 GHEDRO CCCOc1cccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593354680 859555861 /nfs/dbraw/zinc/55/58/61/859555861.db2.gz KBSURHCFIHVECS-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO COC[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001170369224 881436510 /nfs/dbraw/zinc/43/65/10/881436510.db2.gz UOOJSAHWMNWQIP-GSVIPDFHSA-N 1 0 387.524 3.520 20 30 GHEDRO CC(C)(C)c1ncsc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593354985 859557889 /nfs/dbraw/zinc/55/78/89/859557889.db2.gz VAFZCAJCTYYATK-UHFFFAOYSA-N 1 0 382.533 3.707 20 30 GHEDRO C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593358593 859561153 /nfs/dbraw/zinc/56/11/53/859561153.db2.gz JDIHCQIQCLUNIF-VWNXMTODSA-N 1 0 388.515 3.552 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1cc(C#N)ccc1F ZINC000499759879 859570185 /nfs/dbraw/zinc/57/01/85/859570185.db2.gz QHKUXZZJKJZSSI-IAGOWNOFSA-N 1 0 380.467 3.502 20 30 GHEDRO C[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499759881 859570748 /nfs/dbraw/zinc/57/07/48/859570748.db2.gz QHKUXZZJKJZSSI-SJORKVTESA-N 1 0 380.467 3.502 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3C[C@H]3C3CCCCC3)CC2)c1 ZINC000593359939 859586176 /nfs/dbraw/zinc/58/61/76/859586176.db2.gz RXIQJVSOKSGZRW-VXKWHMMOSA-N 1 0 380.536 3.791 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000474212222 859605705 /nfs/dbraw/zinc/60/57/05/859605705.db2.gz WYYVRSHTUXOHOF-HNNXBMFYSA-N 1 0 381.442 3.893 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c(Cl)c1 ZINC000611142135 859624040 /nfs/dbraw/zinc/62/40/40/859624040.db2.gz OGRWCYRVKKFAPO-UHFFFAOYSA-N 1 0 398.359 3.956 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC3(CC3)CC2)c1C#N ZINC000611177585 859636778 /nfs/dbraw/zinc/63/67/78/859636778.db2.gz NOVSYNQWOYCARH-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1OC ZINC000466474636 859662955 /nfs/dbraw/zinc/66/29/55/859662955.db2.gz QMANJXAODVUYKH-YLJYHZDGSA-N 1 0 380.488 3.539 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000601943657 859668643 /nfs/dbraw/zinc/66/86/43/859668643.db2.gz YHZBJXFICNOZJO-CJNGLKHVSA-N 1 0 383.521 3.537 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)c1 ZINC000611267073 859672773 /nfs/dbraw/zinc/67/27/73/859672773.db2.gz FYLDXCNGFZQEPF-IBGZPJMESA-N 1 0 375.472 3.775 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCc3cccs3)CC2)c1 ZINC000593387737 859691671 /nfs/dbraw/zinc/69/16/71/859691671.db2.gz WKOINMSJVIMRAX-UHFFFAOYSA-N 1 0 382.533 3.516 20 30 GHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118028438 859692044 /nfs/dbraw/zinc/69/20/44/859692044.db2.gz IKIVAORHPZFNCX-LJQANCHMSA-N 1 0 394.475 3.583 20 30 GHEDRO CC(C)[C@@H](CC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593395221 859711173 /nfs/dbraw/zinc/71/11/73/859711173.db2.gz ZXAJGPYDEHHXCU-GOSISDBHSA-N 1 0 396.457 3.799 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1=S ZINC000764991010 859720707 /nfs/dbraw/zinc/72/07/07/859720707.db2.gz RVAFOVPOQZFBHB-LJQANCHMSA-N 1 0 398.580 3.570 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C#N ZINC000611346888 859722295 /nfs/dbraw/zinc/72/22/95/859722295.db2.gz OSHWEIFEZRIHRG-OAQYLSRUSA-N 1 0 391.563 3.996 20 30 GHEDRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccnc(C#N)c2)cc1 ZINC000611374825 859726167 /nfs/dbraw/zinc/72/61/67/859726167.db2.gz SUEAGILCCPEUGZ-UHFFFAOYSA-N 1 0 375.476 3.641 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000611361171 859728222 /nfs/dbraw/zinc/72/82/22/859728222.db2.gz WONKFWRWBXGYQJ-OAQYLSRUSA-N 1 0 376.504 3.899 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)c1cccc(C#N)c1 ZINC000611389077 859733033 /nfs/dbraw/zinc/73/30/33/859733033.db2.gz PYDQUDMDWLPKRH-KRWDZBQOSA-N 1 0 377.488 3.847 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1 ZINC000611402535 859738633 /nfs/dbraw/zinc/73/86/33/859738633.db2.gz ZZXZKZCVFDLKQL-GOSISDBHSA-N 1 0 386.442 3.830 20 30 GHEDRO COCc1cccc(OCC2(C[NH+]3CCN([C@@H](C#N)C(C)C)CC3)CCC2)c1 ZINC000611431971 859754039 /nfs/dbraw/zinc/75/40/39/859754039.db2.gz ITSVXOMBPJRPJN-QFIPXVFZSA-N 1 0 385.552 3.548 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000597705392 859754333 /nfs/dbraw/zinc/75/43/33/859754333.db2.gz MDHXQFPFXYNWJB-SFHVURJKSA-N 1 0 375.444 3.591 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593408027 859777723 /nfs/dbraw/zinc/77/77/23/859777723.db2.gz QDQJXZXRYROAHW-OAHLLOKOSA-N 1 0 392.341 3.634 20 30 GHEDRO N#CC1(NC(=O)Cc2c[nH]c3ccc(F)cc23)CC[NH+](Cc2ccccc2)CC1 ZINC000611498642 859785679 /nfs/dbraw/zinc/78/56/79/859785679.db2.gz WKSFNVHJGCIZDM-UHFFFAOYSA-N 1 0 390.462 3.524 20 30 GHEDRO CC[C@@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(F)(F)F ZINC000593414722 859791452 /nfs/dbraw/zinc/79/14/52/859791452.db2.gz RDIIQPHCGHYMOK-OAHLLOKOSA-N 1 0 396.457 3.800 20 30 GHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cc(F)c(C#N)c(F)c3)sc2C1 ZINC000597796601 859822143 /nfs/dbraw/zinc/82/21/43/859822143.db2.gz LBATVFNAEBZOEF-UHFFFAOYSA-N 1 0 376.432 3.702 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000118396463 859832677 /nfs/dbraw/zinc/83/26/77/859832677.db2.gz WOGQYCFKFOOQIR-ICSRJNTNSA-N 1 0 397.544 3.618 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(=O)NC)c2)cc1 ZINC000765238134 859858996 /nfs/dbraw/zinc/85/89/96/859858996.db2.gz LTQRUKMVFJKSMU-MRXNPFEDSA-N 1 0 388.895 3.794 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466531185 859890933 /nfs/dbraw/zinc/89/09/33/859890933.db2.gz XHTGXKBKMRUROJ-CVDCTZTESA-N 1 0 388.515 3.919 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091869390 859950169 /nfs/dbraw/zinc/95/01/69/859950169.db2.gz CDJKBQBUVWXQOG-UHFFFAOYSA-N 1 0 387.480 3.769 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(OC)cc2)cc1 ZINC000765384702 859950734 /nfs/dbraw/zinc/95/07/34/859950734.db2.gz GMOXSPXUIKCUGN-MRXNPFEDSA-N 1 0 388.895 3.794 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000484336731 859954466 /nfs/dbraw/zinc/95/44/66/859954466.db2.gz GTGNXZQTSXWJON-KXBFYZLASA-N 1 0 394.357 3.918 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001127858672 859958329 /nfs/dbraw/zinc/95/83/29/859958329.db2.gz HDYHAETZKBPDPA-JXFKEZNVSA-N 1 0 386.417 3.694 20 30 GHEDRO Cc1ccc(OCc2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)o2)c(C)c1 ZINC000499352446 859994314 /nfs/dbraw/zinc/99/43/14/859994314.db2.gz QNDHOVMJYCCPML-UHFFFAOYSA-N 1 0 383.492 3.783 20 30 GHEDRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000895862263 860001247 /nfs/dbraw/zinc/00/12/47/860001247.db2.gz WYQABAPQXSKYGK-SFHVURJKSA-N 1 0 384.277 3.536 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@](CO)(C(F)(F)F)C3)c2)c1 ZINC000895847894 860003146 /nfs/dbraw/zinc/00/31/46/860003146.db2.gz XHFOWXUEWJOPRU-HXUWFJFHSA-N 1 0 390.405 3.884 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000555122336 860067305 /nfs/dbraw/zinc/06/73/05/860067305.db2.gz DTMNUCMTZFJMMS-UHFFFAOYSA-N 1 0 392.503 3.621 20 30 GHEDRO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)CCOCC1 ZINC000602519811 860072865 /nfs/dbraw/zinc/07/28/65/860072865.db2.gz BCQWUHBLKIOVHT-IBGZPJMESA-N 1 0 386.536 3.740 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000602519668 860073911 /nfs/dbraw/zinc/07/39/11/860073911.db2.gz DCZHAOSFRYDLBV-QGZVFWFLSA-N 1 0 378.476 3.522 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)ccc1OCC(F)(F)F ZINC000602507173 860081170 /nfs/dbraw/zinc/08/11/70/860081170.db2.gz CJSWFKARZMSGKP-AWEZNQCLSA-N 1 0 386.414 3.825 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000602526135 860097189 /nfs/dbraw/zinc/09/71/89/860097189.db2.gz LVVHORJEJKWLPL-YLJYHZDGSA-N 1 0 376.504 3.689 20 30 GHEDRO CC1(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC(F)(F)CC1 ZINC000593514056 860100269 /nfs/dbraw/zinc/10/02/69/860100269.db2.gz OCXGUSSCGPERQO-UHFFFAOYSA-N 1 0 390.478 3.790 20 30 GHEDRO C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC12CCC2 ZINC000593514129 860101427 /nfs/dbraw/zinc/10/14/27/860101427.db2.gz QJNOECWJEATOOF-GOSISDBHSA-N 1 0 380.536 3.744 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000602534802 860103752 /nfs/dbraw/zinc/10/37/52/860103752.db2.gz RMJDHSRSOFPUNV-HOTGVXAUSA-N 1 0 396.354 3.553 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000602562853 860115528 /nfs/dbraw/zinc/11/55/28/860115528.db2.gz HELWEPUFYGFBGB-UONOGXRCSA-N 1 0 382.327 3.513 20 30 GHEDRO Cn1nc(C(F)(F)F)c(C[NH2+]CCSCc2ccccc2C#N)c1Cl ZINC000783530868 860139846 /nfs/dbraw/zinc/13/98/46/860139846.db2.gz CWJJAQPPFXLLMW-UHFFFAOYSA-N 1 0 388.846 3.987 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000120299717 881505410 /nfs/dbraw/zinc/50/54/10/881505410.db2.gz FLZHUNBRZDZNDG-KRWDZBQOSA-N 1 0 382.483 3.659 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H](C4CCCC4)C3)CC2)c1 ZINC000593519058 860170752 /nfs/dbraw/zinc/17/07/52/860170752.db2.gz ZWLKUCKUKMPSSX-OAQYLSRUSA-N 1 0 380.536 3.744 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C/c3ccc4[nH]ccc4c3)CC2)cc1 ZINC000765562545 860180828 /nfs/dbraw/zinc/18/08/28/860180828.db2.gz JKGVYUSNJUYGKC-VQHVLOKHSA-N 1 0 384.483 3.787 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000154710777 860238205 /nfs/dbraw/zinc/23/82/05/860238205.db2.gz MVLZLPAVFDZUKB-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508956599 860247396 /nfs/dbraw/zinc/24/73/96/860247396.db2.gz RJJNWNOTVFZAIL-GOSISDBHSA-N 1 0 390.535 3.847 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000484690568 860275247 /nfs/dbraw/zinc/27/52/47/860275247.db2.gz PLOAUUONJWWBDV-AZUAARDMSA-N 1 0 397.519 3.695 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](Cn4cnc5ccccc54)C3)o2)c1 ZINC000602821740 860312564 /nfs/dbraw/zinc/31/25/64/860312564.db2.gz XZSFERDZKTUAII-GOSISDBHSA-N 1 0 398.470 3.870 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000602821742 860312609 /nfs/dbraw/zinc/31/26/09/860312609.db2.gz XZTBSUHFPCNPES-INIZCTEOSA-N 1 0 393.516 3.710 20 30 GHEDRO CC1=Nc2ccccc2C12CC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000602859733 860316268 /nfs/dbraw/zinc/31/62/68/860316268.db2.gz FONWNBXUOUQUPO-FQEVSTJZSA-N 1 0 389.499 3.632 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602888106 860339218 /nfs/dbraw/zinc/33/92/18/860339218.db2.gz PDKBRTINJKGXJC-ICSRJNTNSA-N 1 0 399.498 3.754 20 30 GHEDRO CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCC(Nc3ccccc3C#N)CC2)C1 ZINC000602900248 860352149 /nfs/dbraw/zinc/35/21/49/860352149.db2.gz NKNVEHLNKJZMMQ-SFHVURJKSA-N 1 0 382.552 3.719 20 30 GHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3ccc(C#N)cn3)CC2)C1=O ZINC000602906434 860358129 /nfs/dbraw/zinc/35/81/29/860358129.db2.gz IPWYVOPGFMYWJG-OPAMFIHVSA-N 1 0 392.478 3.634 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1F ZINC000904359986 860364591 /nfs/dbraw/zinc/36/45/91/860364591.db2.gz WGCZPLJGZGAQKY-NRFANRHFSA-N 1 0 380.423 3.849 20 30 GHEDRO N#Cc1cc2c(nc1NCCCOC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000484818991 860377165 /nfs/dbraw/zinc/37/71/65/860377165.db2.gz JBSUELCSEHPTMK-UHFFFAOYSA-N 1 0 390.531 3.925 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC1 ZINC001170398344 881531811 /nfs/dbraw/zinc/53/18/11/881531811.db2.gz ODOZFPAVSCMKOJ-HVIUMASTSA-N 1 0 380.536 3.660 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1C#N ZINC000602977234 860384616 /nfs/dbraw/zinc/38/46/16/860384616.db2.gz ZIULJDSOBXWRED-XLIONFOSSA-N 1 0 393.491 3.571 20 30 GHEDRO C[NH+](C)CCOc1cccc(CNCc2cc(C#N)ccc2Br)c1 ZINC000921548488 860408901 /nfs/dbraw/zinc/40/89/01/860408901.db2.gz WQRQXRRUJISBMA-UHFFFAOYSA-N 1 0 388.309 3.551 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000484881232 860432919 /nfs/dbraw/zinc/43/29/19/860432919.db2.gz MKFWOXKGCKFMFW-AWEZNQCLSA-N 1 0 383.414 3.921 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000598614071 860444868 /nfs/dbraw/zinc/44/48/68/860444868.db2.gz AOWCADHGFUDMND-SFHVURJKSA-N 1 0 395.341 3.731 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000329879568 860449108 /nfs/dbraw/zinc/44/91/08/860449108.db2.gz MKLCUXBWDUIVAK-FCEWJHQRSA-N 1 0 378.476 3.691 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 ZINC000729975082 860480031 /nfs/dbraw/zinc/48/00/31/860480031.db2.gz HZYFEMIXODRXEZ-SFHVURJKSA-N 1 0 396.318 3.643 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508997336 860494410 /nfs/dbraw/zinc/49/44/10/860494410.db2.gz JPAFYNXNWSOAAM-GOSISDBHSA-N 1 0 383.515 3.506 20 30 GHEDRO C=CCSc1ccccc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428954096 860507939 /nfs/dbraw/zinc/50/79/39/860507939.db2.gz HXVKXDHMUOTZHN-QHCPKHFHSA-N 1 0 396.556 3.674 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000155487900 860523555 /nfs/dbraw/zinc/52/35/55/860523555.db2.gz SEIHIWQESHKBHI-UHFFFAOYSA-N 1 0 395.478 3.636 20 30 GHEDRO COc1ccc2ccccc2c1-c1cc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)on1 ZINC000598723181 860529611 /nfs/dbraw/zinc/52/96/11/860529611.db2.gz FNNCIOGNDMOUEV-INIZCTEOSA-N 1 0 379.460 3.894 20 30 GHEDRO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)c1 ZINC000598728386 860532349 /nfs/dbraw/zinc/53/23/49/860532349.db2.gz RKWGCCSQLBTJHF-QGZVFWFLSA-N 1 0 384.476 3.886 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000552465029 860535295 /nfs/dbraw/zinc/53/52/95/860535295.db2.gz XWBPPZCWTNEXSI-RCZVLFRGSA-N 1 0 384.479 3.946 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)cc1 ZINC000922746787 860540866 /nfs/dbraw/zinc/54/08/66/860540866.db2.gz UMABQNGQRCXDCH-FQEVSTJZSA-N 1 0 393.531 3.748 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000552682102 860554001 /nfs/dbraw/zinc/55/40/01/860554001.db2.gz YIGRPAQMQVFCFW-AVRDEDQJSA-N 1 0 389.499 3.836 20 30 GHEDRO CCC[C@H]([NH3+])c1cn(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)nn1 ZINC000603222282 860557001 /nfs/dbraw/zinc/55/70/01/860557001.db2.gz GKOAEQIWFOKXRV-IBGZPJMESA-N 1 0 391.475 3.586 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)cc(OC)c1OCC(F)F ZINC000922760116 860558267 /nfs/dbraw/zinc/55/82/67/860558267.db2.gz PDUQIMMZXGTSDO-UHFFFAOYSA-N 1 0 376.403 3.818 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C#N)cc1F ZINC000170936295 860578689 /nfs/dbraw/zinc/57/86/89/860578689.db2.gz FZMGVFRKNXNNBO-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000624985608 860625354 /nfs/dbraw/zinc/62/53/54/860625354.db2.gz WRUCMVFKFQUJCD-CQJJOKNBSA-N 1 0 387.572 3.795 20 30 GHEDRO Cc1c(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cnn1CCC#N ZINC000896293065 860633243 /nfs/dbraw/zinc/63/32/43/860633243.db2.gz ADKUZJAUIOAUHT-PXNSSMCTSA-N 1 0 381.524 3.601 20 30 GHEDRO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000624992292 860654931 /nfs/dbraw/zinc/65/49/31/860654931.db2.gz RFHUOFWWNLCLMX-SFHVURJKSA-N 1 0 397.571 3.725 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000125410109 860659235 /nfs/dbraw/zinc/65/92/35/860659235.db2.gz BUOKGYQSZURCGO-HWKANZROSA-N 1 0 378.432 3.854 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(C(F)(F)F)c1 ZINC000599088665 860788818 /nfs/dbraw/zinc/78/88/18/860788818.db2.gz SHKWINILRYEZHE-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000599184102 860887468 /nfs/dbraw/zinc/88/74/68/860887468.db2.gz YSKLEGUWIWISFG-UHFFFAOYSA-N 1 0 396.304 3.541 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@H]3c3ccc(F)cc3)CC2)c1 ZINC000600083012 860922133 /nfs/dbraw/zinc/92/21/33/860922133.db2.gz RKKGIOSOHLNVNZ-XZOQPEGZSA-N 1 0 391.490 3.972 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593703820 860932959 /nfs/dbraw/zinc/93/29/59/860932959.db2.gz WVGLJCUCMHNQBD-KRWDZBQOSA-N 1 0 394.494 3.669 20 30 GHEDRO Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000329033974 860962692 /nfs/dbraw/zinc/96/26/92/860962692.db2.gz BVNKTTOIYCFDND-OALUTQOASA-N 1 0 387.524 3.659 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000170913350 860977596 /nfs/dbraw/zinc/97/75/96/860977596.db2.gz WWAPNYUCMRSTIK-UHFFFAOYSA-N 1 0 380.423 3.626 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000730265695 860985035 /nfs/dbraw/zinc/98/50/35/860985035.db2.gz FMPUWQLLUHLVMU-MRXNPFEDSA-N 1 0 382.508 3.936 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)cc1F ZINC000599264187 860995972 /nfs/dbraw/zinc/99/59/72/860995972.db2.gz BEQPDTTVROHPAQ-UHFFFAOYSA-N 1 0 379.479 3.843 20 30 GHEDRO Cc1ccc(CC[N@@H+](Cc2ccco2)C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599301798 861043511 /nfs/dbraw/zinc/04/35/11/861043511.db2.gz BANKCNWOBDAWKH-OAQYLSRUSA-N 1 0 382.504 3.704 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)CCOCC1 ZINC000599314368 861055473 /nfs/dbraw/zinc/05/54/73/861055473.db2.gz FJYWQXRRGXRTKN-CRAIPNDOSA-N 1 0 393.325 3.657 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)C1 ZINC000329144160 861064937 /nfs/dbraw/zinc/06/49/37/861064937.db2.gz WCJWENCONOYMTC-PZJWPPBQSA-N 1 0 398.551 3.602 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000329146600 861065207 /nfs/dbraw/zinc/06/52/07/861065207.db2.gz XGDUDHJGVLLYQV-WMFSYPSMSA-N 1 0 398.551 3.645 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000599349341 861088594 /nfs/dbraw/zinc/08/85/94/861088594.db2.gz GWSADANZIOEMSM-YLJYHZDGSA-N 1 0 380.488 3.980 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000599350766 861088776 /nfs/dbraw/zinc/08/87/76/861088776.db2.gz ZIJGORBHYWGJML-RHSMWYFYSA-N 1 0 394.393 3.590 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(C#N)cc1 ZINC000599349134 861089083 /nfs/dbraw/zinc/08/90/83/861089083.db2.gz DXSCBXOZDPUJIG-XIKOKIGWSA-N 1 0 384.277 3.925 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)CCOCC1 ZINC000599336281 861102001 /nfs/dbraw/zinc/10/20/01/861102001.db2.gz KNLUPSILOORJNI-ROUUACIJSA-N 1 0 392.927 3.502 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000185651948 861118253 /nfs/dbraw/zinc/11/82/53/861118253.db2.gz SLYPDMFXBFSCJG-AAEUAGOBSA-N 1 0 393.413 3.612 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC ZINC000623516366 861148901 /nfs/dbraw/zinc/14/89/01/861148901.db2.gz OXJZEFULGLPEIQ-OXQOHEQNSA-N 1 0 395.927 3.571 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185665793 861157680 /nfs/dbraw/zinc/15/76/80/861157680.db2.gz KKPJSUVKQHHSOF-SFTDATJTSA-N 1 0 396.579 3.793 20 30 GHEDRO O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623530446 861162613 /nfs/dbraw/zinc/16/26/13/861162613.db2.gz YUGUZAGRJOVVGY-GWCFXTLKSA-N 1 0 375.284 3.702 20 30 GHEDRO CC1(C)CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000609196598 881630558 /nfs/dbraw/zinc/63/05/58/881630558.db2.gz ZTAZAOLXYORIHE-UHFFFAOYSA-N 1 0 390.531 3.530 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000444022367 863144950 /nfs/dbraw/zinc/14/49/50/863144950.db2.gz QICRGBSKBLKNHG-WIYYLYMNSA-N 1 0 398.551 3.837 20 30 GHEDRO N#Cc1cc(S(=O)(=O)Nc2cccc(C[NH+]3CCCCC3)c2)ccc1Cl ZINC000444032428 863177820 /nfs/dbraw/zinc/17/78/20/863177820.db2.gz KUSJXBGJMUTGMA-UHFFFAOYSA-N 1 0 389.908 3.998 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000733852102 863218897 /nfs/dbraw/zinc/21/88/97/863218897.db2.gz SCPVFOVVEQKJLM-NRFANRHFSA-N 1 0 394.519 3.641 20 30 GHEDRO CC(C)[C@@H](CNC(=O)CSc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000482544912 863301430 /nfs/dbraw/zinc/30/14/30/863301430.db2.gz SUVUJNPJVOHHBL-JOCHJYFZSA-N 1 0 393.556 3.849 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508462400 863348991 /nfs/dbraw/zinc/34/89/91/863348991.db2.gz WCHJRIFJDJTFMS-MJGOQNOKSA-N 1 0 399.514 3.808 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508462399 863349340 /nfs/dbraw/zinc/34/93/40/863349340.db2.gz WCHJRIFJDJTFMS-IEBWSBKVSA-N 1 0 399.514 3.808 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCCC13CCOCC3)CCCC2 ZINC000281931473 863504823 /nfs/dbraw/zinc/50/48/23/863504823.db2.gz DIXSHZZSSOUEFI-GOSISDBHSA-N 1 0 387.549 3.766 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1F ZINC000047892440 863542888 /nfs/dbraw/zinc/54/28/88/863542888.db2.gz QZURTFKKRUFYTM-UHFFFAOYSA-N 1 0 383.442 3.673 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000444178604 863598968 /nfs/dbraw/zinc/59/89/68/863598968.db2.gz CMJCGLSANUBEON-UHFFFAOYSA-N 1 0 375.669 3.622 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594003466 863715659 /nfs/dbraw/zinc/71/56/59/863715659.db2.gz ICWVLLMZNGYXNR-MSYCTHLASA-N 1 0 375.516 3.764 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](c2ccccc2OC)C1)C(C)C ZINC000606641450 863742573 /nfs/dbraw/zinc/74/25/73/863742573.db2.gz ANLLGEGMLISOCZ-FPOVZHCZSA-N 1 0 385.552 3.893 20 30 GHEDRO Oc1ccc(/C=N\[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(O)c1O ZINC000733903911 863847197 /nfs/dbraw/zinc/84/71/97/863847197.db2.gz SLRDAKACHVZDNI-IJNKKSNJSA-N 1 0 380.366 3.516 20 30 GHEDRO C=CCn1c(C)cc(C(=O)CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1C ZINC000177554624 863853815 /nfs/dbraw/zinc/85/38/15/863853815.db2.gz HAYWNGMFSNEFKI-LJQANCHMSA-N 1 0 395.551 3.671 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1scnc1C1CCCC1 ZINC000184041751 863965071 /nfs/dbraw/zinc/96/50/71/863965071.db2.gz FRYMLDYJYNRKHI-UHFFFAOYSA-N 1 0 382.533 3.876 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(OC)c1 ZINC000554264153 864006709 /nfs/dbraw/zinc/00/67/09/864006709.db2.gz IPXZHJVHMIIHMI-UIFIKXQLSA-N 1 0 382.504 3.642 20 30 GHEDRO CC[C@@H](C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000101546286 864041419 /nfs/dbraw/zinc/04/14/19/864041419.db2.gz LOOYWPXGLWUAQP-GOSISDBHSA-N 1 0 387.487 3.983 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](CC(C)(C)CCC#N)CC2 ZINC000896969481 864199433 /nfs/dbraw/zinc/19/94/33/864199433.db2.gz LFAWCJKZAYEKMD-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO C=CCCC1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCCC1 ZINC000665589966 864201060 /nfs/dbraw/zinc/20/10/60/864201060.db2.gz LUXSSZWLNUQMHK-YOFSQIOKSA-N 1 0 377.573 3.796 20 30 GHEDRO C=CC[C@H](CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000184276181 864282452 /nfs/dbraw/zinc/28/24/52/864282452.db2.gz XOIYIAYTCFVWFE-MRXNPFEDSA-N 1 0 378.314 3.785 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1O ZINC000237426578 864330465 /nfs/dbraw/zinc/33/04/65/864330465.db2.gz IWQHMZGKWKNTSJ-IBGZPJMESA-N 1 0 395.478 3.899 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000554628412 864647421 /nfs/dbraw/zinc/64/74/21/864647421.db2.gz YVKWLOCITBDZHA-HXUWFJFHSA-N 1 0 394.567 3.783 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000475260462 864668247 /nfs/dbraw/zinc/66/82/47/864668247.db2.gz MEQABAXVAIHPHF-HXUWFJFHSA-N 1 0 397.563 3.954 20 30 GHEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000735228015 864671561 /nfs/dbraw/zinc/67/15/61/864671561.db2.gz LXZNKCJOGINVRQ-CQSZACIVSA-N 1 0 382.961 3.751 20 30 GHEDRO [NH2+]=C(NC[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000262467982 864672695 /nfs/dbraw/zinc/67/26/95/864672695.db2.gz YSPXHCZBTVHQET-HNNXBMFYSA-N 1 0 379.382 3.921 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475321078 864753752 /nfs/dbraw/zinc/75/37/52/864753752.db2.gz WNCZWSPVTKJTHA-IBGZPJMESA-N 1 0 385.458 3.943 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC(F)(C#N)CC2)CC1 ZINC000455949393 864863976 /nfs/dbraw/zinc/86/39/76/864863976.db2.gz WRXJUCVRFPOIQW-UHFFFAOYSA-N 1 0 394.878 3.673 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000184835289 864974862 /nfs/dbraw/zinc/97/48/62/864974862.db2.gz XQZSUBIUYAKKPU-UHFFFAOYSA-N 1 0 375.563 3.870 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(OC)cc2)cc1 ZINC000480633743 865016438 /nfs/dbraw/zinc/01/64/38/865016438.db2.gz GMHVSMBNIFWYSP-QHCPKHFHSA-N 1 0 375.472 3.988 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000897267766 865037710 /nfs/dbraw/zinc/03/77/10/865037710.db2.gz PCJZVTKGHDPVEJ-UTKZUKDTSA-N 1 0 378.472 3.828 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2cccc(CC#N)c2)[NH+]2CCCC2)c1 ZINC000455950807 865040640 /nfs/dbraw/zinc/04/06/40/865040640.db2.gz RTPZRMQSVWXKJA-OAQYLSRUSA-N 1 0 378.476 3.720 20 30 GHEDRO C#CCC[NH+]1CCN(c2nc(COC)nc3scc(-c4ccccc4)c32)CC1 ZINC000301111826 865163297 /nfs/dbraw/zinc/16/32/97/865163297.db2.gz NEHWVBRFXPCPQV-UHFFFAOYSA-N 1 0 392.528 3.650 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cccc(CC#N)c2)[NH+]2CCCC2)cc1 ZINC000455955391 865177475 /nfs/dbraw/zinc/17/74/75/865177475.db2.gz WVSCDDLLCOIYRF-OAQYLSRUSA-N 1 0 378.476 3.720 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CC)Cc2cc(Br)ccc2F)CC1 ZINC000171737009 865350121 /nfs/dbraw/zinc/35/01/21/865350121.db2.gz GKJUFLQAXAZIJI-UHFFFAOYSA-N 1 0 398.320 3.770 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000171737714 865350275 /nfs/dbraw/zinc/35/02/75/865350275.db2.gz QEBGPCMOHFAANV-KRWDZBQOSA-N 1 0 393.915 3.670 20 30 GHEDRO COc1cccc([C@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000594211098 865385688 /nfs/dbraw/zinc/38/56/88/865385688.db2.gz HENPQVRPUYKZER-JPYJTQIMSA-N 1 0 391.515 3.699 20 30 GHEDRO C[C@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000594249765 865604542 /nfs/dbraw/zinc/60/45/42/865604542.db2.gz WSSCCALOVWWOTC-LAUBAEHRSA-N 1 0 376.504 3.928 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172518809 865613759 /nfs/dbraw/zinc/61/37/59/865613759.db2.gz SQKYKVFAGYYBSU-UHFFFAOYSA-N 1 0 382.426 3.874 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1C#N ZINC000174334859 865716896 /nfs/dbraw/zinc/71/68/96/865716896.db2.gz IPWINBUBALHBGW-QGZVFWFLSA-N 1 0 392.503 3.674 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000608899953 865802848 /nfs/dbraw/zinc/80/28/48/865802848.db2.gz FQFZCRBVCDEKKS-UHFFFAOYSA-N 1 0 395.422 3.970 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000739998667 865822914 /nfs/dbraw/zinc/82/29/14/865822914.db2.gz IJUJLKZHZTWDBM-JTSKRJEESA-N 1 0 377.488 3.588 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000739998645 865823128 /nfs/dbraw/zinc/82/31/28/865823128.db2.gz IJUJLKZHZTWDBM-HTAPYJJXSA-N 1 0 377.488 3.588 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1C#N ZINC000594356690 865940011 /nfs/dbraw/zinc/94/00/11/865940011.db2.gz LVNQJGVEYGNPGE-UHFFFAOYSA-N 1 0 384.549 3.501 20 30 GHEDRO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000555335754 865958410 /nfs/dbraw/zinc/95/84/10/865958410.db2.gz AACVHNIEGYXRAU-UHFFFAOYSA-N 1 0 387.487 3.799 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000740737433 865975327 /nfs/dbraw/zinc/97/53/27/865975327.db2.gz NHXOMOLPLGOPTK-MOPGFXCFSA-N 1 0 393.556 3.950 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000740737932 865976139 /nfs/dbraw/zinc/97/61/39/865976139.db2.gz ZSHWJNLTLKGUOQ-QPJJXVBHSA-N 1 0 384.829 3.976 20 30 GHEDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001170426430 881927720 /nfs/dbraw/zinc/92/77/20/881927720.db2.gz RYBJAIGTSZVWCX-OAQYLSRUSA-N 1 0 391.515 3.862 20 30 GHEDRO CCC[N@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740857448 866043758 /nfs/dbraw/zinc/04/37/58/866043758.db2.gz CZUJICZYDNTEBV-AQNXPRMDSA-N 1 0 379.508 3.608 20 30 GHEDRO Cc1cc(C[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)ccc1C#N ZINC000475504589 866102906 /nfs/dbraw/zinc/10/29/06/866102906.db2.gz YOWTWKPYQQMCGI-UHFFFAOYSA-N 1 0 385.467 3.685 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000740917029 866104269 /nfs/dbraw/zinc/10/42/69/866104269.db2.gz JWFDAQLLIBZMNO-FQEVSTJZSA-N 1 0 391.515 3.505 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000508490447 866149135 /nfs/dbraw/zinc/14/91/35/866149135.db2.gz BWEHWSHHRBHIAO-SESVDKBCSA-N 1 0 395.551 3.662 20 30 GHEDRO N#CC1(COC(=O)c2cnc3n2CCCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000857036823 881948818 /nfs/dbraw/zinc/94/88/18/881948818.db2.gz RWMOCWPSNNIZKQ-UHFFFAOYSA-N 1 0 392.503 3.572 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000183139815 866267149 /nfs/dbraw/zinc/26/71/49/866267149.db2.gz PBXHRVYZKCGPRJ-IAGOWNOFSA-N 1 0 379.508 3.563 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183142173 866267307 /nfs/dbraw/zinc/26/73/07/866267307.db2.gz UIQXWDOFTDWPDJ-CXVUKDAWSA-N 1 0 393.535 3.842 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000478630633 866387636 /nfs/dbraw/zinc/38/76/36/866387636.db2.gz YZGBRVLIJNKJPM-UHFFFAOYSA-N 1 0 396.304 3.701 20 30 GHEDRO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000793153262 881976364 /nfs/dbraw/zinc/97/63/64/881976364.db2.gz POSIWTRYAFIRKB-CYBMUJFWSA-N 1 0 391.256 3.669 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cnn(-c4ccccc4F)c3)CC2)cc1 ZINC000183290842 866559933 /nfs/dbraw/zinc/55/99/33/866559933.db2.gz BFSSPIQJPFYZOJ-UHFFFAOYSA-N 1 0 375.451 3.960 20 30 GHEDRO [NH2+]=C(NCCc1nc2c(s1)CCCC2)Nc1ccc(OC(F)(F)F)cc1 ZINC000305733657 866633573 /nfs/dbraw/zinc/63/35/73/866633573.db2.gz VZRFSERIXGVAPD-UHFFFAOYSA-N 1 0 384.427 3.890 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000909605855 866911748 /nfs/dbraw/zinc/91/17/48/866911748.db2.gz ZZKFKBIIGCOXQG-UHFFFAOYSA-N 1 0 394.494 3.923 20 30 GHEDRO COCC[C@@H](c1ccccc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000534541287 866976501 /nfs/dbraw/zinc/97/65/01/866976501.db2.gz JVVAYJQJLGIJMX-IBGZPJMESA-N 1 0 392.459 3.706 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189893800 882036769 /nfs/dbraw/zinc/03/67/69/882036769.db2.gz JZKHKLVGYLVQAZ-XMSQKQJNSA-N 1 0 377.488 3.691 20 30 GHEDRO C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000523285539 867023893 /nfs/dbraw/zinc/02/38/93/867023893.db2.gz UGKKSVSAOABDGI-IRXDYDNUSA-N 1 0 381.476 3.580 20 30 GHEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000444671992 867042103 /nfs/dbraw/zinc/04/21/03/867042103.db2.gz GQEQJIGZTFHINP-ICSRJNTNSA-N 1 0 388.556 3.852 20 30 GHEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000444671993 867042491 /nfs/dbraw/zinc/04/24/91/867042491.db2.gz GQEQJIGZTFHINP-QUCCMNQESA-N 1 0 388.556 3.852 20 30 GHEDRO C=CCn1c([C@@H](C)CC)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508505315 867060957 /nfs/dbraw/zinc/06/09/57/867060957.db2.gz BYBGWYVVOBTQFE-GBESFXJTSA-N 1 0 389.588 3.693 20 30 GHEDRO COc1ccc(C2([NH2+]CCCOc3cccc(C#N)c3)CCOCC2)cc1F ZINC000444812680 867281811 /nfs/dbraw/zinc/28/18/11/867281811.db2.gz LMJWDCNDQOGRCP-UHFFFAOYSA-N 1 0 384.451 3.770 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000553384712 867336527 /nfs/dbraw/zinc/33/65/27/867336527.db2.gz IXRLVEURFHZGKP-UHFFFAOYSA-N 1 0 379.504 3.847 20 30 GHEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000121509975 867381431 /nfs/dbraw/zinc/38/14/31/867381431.db2.gz XYEHLUDQEKQMKV-OAHLLOKOSA-N 1 0 382.357 3.588 20 30 GHEDRO N#CC1(NC(=O)c2ccc(OC3CCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479285573 867482539 /nfs/dbraw/zinc/48/25/39/867482539.db2.gz NHVXJYFTKKLBOK-UHFFFAOYSA-N 1 0 389.499 3.906 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000553483921 867526055 /nfs/dbraw/zinc/52/60/55/867526055.db2.gz JECKSEKMBMIJCK-GHTZIAJQSA-N 1 0 379.504 3.886 20 30 GHEDRO C[C@@H]1C[C@H](CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000553511138 867565111 /nfs/dbraw/zinc/56/51/11/867565111.db2.gz QUFVILRAYLFZMS-WBVHZDCISA-N 1 0 379.464 3.761 20 30 GHEDRO C=CC1CCN(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000523586475 867585863 /nfs/dbraw/zinc/58/58/63/867585863.db2.gz NENLNHQTOWMFAH-UHFFFAOYSA-N 1 0 376.932 3.912 20 30 GHEDRO CC[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000479341863 867627284 /nfs/dbraw/zinc/62/72/84/867627284.db2.gz GFSKBDHZVBYZQP-QFIPXVFZSA-N 1 0 388.515 3.683 20 30 GHEDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000428776207 867858463 /nfs/dbraw/zinc/85/84/63/867858463.db2.gz DFHRWEGNQMMZGP-HXUWFJFHSA-N 1 0 399.288 3.637 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000743199179 867949985 /nfs/dbraw/zinc/94/99/85/867949985.db2.gz XAVDZMUIPWEBLM-SFHVURJKSA-N 1 0 387.499 3.814 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000743201803 867953046 /nfs/dbraw/zinc/95/30/46/867953046.db2.gz LTIUYUVVDFCBNV-LJQANCHMSA-N 1 0 381.451 3.624 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000479540951 867976272 /nfs/dbraw/zinc/97/62/72/867976272.db2.gz KJJJZWQAPXPWDG-LJQANCHMSA-N 1 0 398.551 3.623 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857256737 882148257 /nfs/dbraw/zinc/14/82/57/882148257.db2.gz MVBOGNPYFNNVFV-FQEVSTJZSA-N 1 0 382.504 3.800 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)c1 ZINC000535083362 868073613 /nfs/dbraw/zinc/07/36/13/868073613.db2.gz GTWDSBJESCHWOE-UHFFFAOYSA-N 1 0 399.498 3.654 20 30 GHEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000155951639 868195912 /nfs/dbraw/zinc/19/59/12/868195912.db2.gz YDXOTQBPZRKSSN-AWEZNQCLSA-N 1 0 398.334 3.735 20 30 GHEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000155951764 868196156 /nfs/dbraw/zinc/19/61/56/868196156.db2.gz YDXOTQBPZRKSSN-CQSZACIVSA-N 1 0 398.334 3.735 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(C#N)cc1 ZINC000553799769 868210892 /nfs/dbraw/zinc/21/08/92/868210892.db2.gz QMSZJWWDXZGBEF-DVECYGJZSA-N 1 0 388.515 3.927 20 30 GHEDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000743870216 868466143 /nfs/dbraw/zinc/46/61/43/868466143.db2.gz LVXOIJYCXSEKDK-SFHVURJKSA-N 1 0 395.503 3.948 20 30 GHEDRO C=CCC[C@H](CO)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000457619871 868519950 /nfs/dbraw/zinc/51/99/50/868519950.db2.gz RLSYJOYUBQQDMO-OAQYLSRUSA-N 1 0 381.520 3.542 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000744019861 868530828 /nfs/dbraw/zinc/53/08/28/868530828.db2.gz SYDQNAFXISFRGO-UHFFFAOYSA-N 1 0 385.577 3.952 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000479923330 868701783 /nfs/dbraw/zinc/70/17/83/868701783.db2.gz MBRTVRVUIGHSKV-QZTJIDSGSA-N 1 0 379.552 3.805 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000666046858 882225528 /nfs/dbraw/zinc/22/55/28/882225528.db2.gz RSTJHAUBLJMINH-IBGZPJMESA-N 1 0 376.504 3.723 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669814125 868795751 /nfs/dbraw/zinc/79/57/51/868795751.db2.gz DEMQCLOUNAGGMP-UHFFFAOYSA-N 1 0 397.567 3.935 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1c1ccccc1 ZINC000535470173 868822309 /nfs/dbraw/zinc/82/23/09/868822309.db2.gz UDLDDBIUVBFJBO-FYYLOGMGSA-N 1 0 398.466 3.921 20 30 GHEDRO CC[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262787455 882231443 /nfs/dbraw/zinc/23/14/43/882231443.db2.gz MVNYGZNKAYKAOW-IAOVAPTHSA-N 1 0 378.586 3.699 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669815902 868897550 /nfs/dbraw/zinc/89/75/50/868897550.db2.gz IZYXXQMQKOHXDP-HXUWFJFHSA-N 1 0 391.519 3.553 20 30 GHEDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000524355821 868960979 /nfs/dbraw/zinc/96/09/79/868960979.db2.gz MHYORTWPCFYACX-UHFFFAOYSA-N 1 0 385.537 3.566 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc1 ZINC000744746070 869043670 /nfs/dbraw/zinc/04/36/70/869043670.db2.gz JCVLXAMLGPQWBV-QGZVFWFLSA-N 1 0 381.476 3.640 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 ZINC000548932270 869282424 /nfs/dbraw/zinc/28/24/24/869282424.db2.gz YBHAYZSQDZQINE-LBPRGKRZSA-N 1 0 383.300 3.990 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2([C@H](O)C(C)C)CC2)cc1OC ZINC000539588640 869414668 /nfs/dbraw/zinc/41/46/68/869414668.db2.gz PGQMPXURWVVBDW-GOSISDBHSA-N 1 0 398.341 3.909 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000539613021 869445869 /nfs/dbraw/zinc/44/58/69/869445869.db2.gz HTCMAHIUTWRPDW-UZLBHIALSA-N 1 0 375.538 3.504 20 30 GHEDRO N#C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)c1ccccc1F ZINC000462537915 869648006 /nfs/dbraw/zinc/64/80/06/869648006.db2.gz PYYALFCRCHMUNV-RZFNWQHOSA-N 1 0 377.463 3.809 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000462670815 869879987 /nfs/dbraw/zinc/87/99/87/869879987.db2.gz VUHNTFPXWJXQRY-VQIMIIECSA-N 1 0 379.508 3.757 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000745941841 869884956 /nfs/dbraw/zinc/88/49/56/869884956.db2.gz WEQWCUPZAAQPQF-INIZCTEOSA-N 1 0 396.453 3.587 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)COc3ccccc3C#N)c2)CC1 ZINC000539897297 869985823 /nfs/dbraw/zinc/98/58/23/869985823.db2.gz GQKQLKCFDVUJML-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C)c1C#N ZINC000441073827 870162816 /nfs/dbraw/zinc/16/28/16/870162816.db2.gz WPLMVCRQYZBIGS-LJQANCHMSA-N 1 0 388.556 3.759 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508865841 870310025 /nfs/dbraw/zinc/31/00/25/870310025.db2.gz WWTMTGLGXYYWTB-FQEVSTJZSA-N 1 0 390.535 3.532 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001192491043 870428826 /nfs/dbraw/zinc/42/88/26/870428826.db2.gz YZOIMFPMTULLNH-NRFANRHFSA-N 1 0 379.504 3.855 20 30 GHEDRO C=CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732025 870465997 /nfs/dbraw/zinc/46/59/97/870465997.db2.gz GWKBHZQJQAMAHR-GOSISDBHSA-N 1 0 385.475 3.597 20 30 GHEDRO C=CCn1c2ccccc2n(CN2CC[N@H+](CCOC)[C@@H](CCC)C2)c1=S ZINC000766383339 870669848 /nfs/dbraw/zinc/66/98/48/870669848.db2.gz YHHMISDDAPIEFZ-SFHVURJKSA-N 1 0 388.581 3.748 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001192927028 870792187 /nfs/dbraw/zinc/79/21/87/870792187.db2.gz ZOACXJYHFQHWFS-SFHVURJKSA-N 1 0 375.561 3.753 20 30 GHEDRO [NH3+][C@@H]1CCc2nn(-c3cnc(N=C(c4ccccc4)c4ccccc4)nc3)cc2C1 ZINC001168817695 870835881 /nfs/dbraw/zinc/83/58/81/870835881.db2.gz MZOPFBBJUGONHE-HXUWFJFHSA-N 1 0 394.482 3.647 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168828814 870883313 /nfs/dbraw/zinc/88/33/13/870883313.db2.gz KAXFNWTYAQQITD-UTKZUKDTSA-N 1 0 398.551 3.510 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(-n3cnc4ccc(C[NH3+])cc43)nn2)c1 ZINC001168842081 870903333 /nfs/dbraw/zinc/90/33/33/870903333.db2.gz ODJNPNYKCSTSOE-UHFFFAOYSA-N 1 0 394.360 3.832 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1C#N ZINC000538953308 870965126 /nfs/dbraw/zinc/96/51/26/870965126.db2.gz DBEUSXHDIHCTRC-MRXNPFEDSA-N 1 0 377.366 3.634 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000540311252 870986673 /nfs/dbraw/zinc/98/66/73/870986673.db2.gz ROGRTBMJPOACOQ-NRFANRHFSA-N 1 0 376.504 3.851 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000766553363 871033923 /nfs/dbraw/zinc/03/39/23/871033923.db2.gz RADFOCPGRYEXQR-LUAWRHEFSA-N 1 0 386.536 3.854 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2c(F)cccc2F)c(OC)c1 ZINC000540332243 871039673 /nfs/dbraw/zinc/03/96/73/871039673.db2.gz DKXZDPPNZFECNQ-GOEBONIOSA-N 1 0 377.431 3.792 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cnc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001168994428 871075897 /nfs/dbraw/zinc/07/58/97/871075897.db2.gz DHJGSXXWBFCHJV-UHFFFAOYSA-N 1 0 379.773 3.856 20 30 GHEDRO C[NH+]1CCC(COc2cnc(N[C@@](C)(C#N)c3ccccc3Cl)nc2)CC1 ZINC001169379178 871439770 /nfs/dbraw/zinc/43/97/70/871439770.db2.gz KIORFRSQGBYNIY-FQEVSTJZSA-N 1 0 385.899 3.701 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1OC ZINC000618356024 871519897 /nfs/dbraw/zinc/51/98/97/871519897.db2.gz HEUOPMWQEMOQCH-NRFANRHFSA-N 1 0 394.515 3.649 20 30 GHEDRO C[C@@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1cccc(C#N)c1 ZINC000462069055 871520765 /nfs/dbraw/zinc/52/07/65/871520765.db2.gz ANHOPBPFEWIQRQ-GOSISDBHSA-N 1 0 383.536 3.592 20 30 GHEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001194163540 871520870 /nfs/dbraw/zinc/52/08/70/871520870.db2.gz IAGDXNPJQMHGKL-REWPJTCUSA-N 1 0 384.520 3.538 20 30 GHEDRO COc1ccc(O[C@@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181831091 871526599 /nfs/dbraw/zinc/52/65/99/871526599.db2.gz HYFLFGIDFAFRDD-SFHVURJKSA-N 1 0 379.504 3.588 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000539254118 871561370 /nfs/dbraw/zinc/56/13/70/871561370.db2.gz LXIIHEACRZFJJZ-IRXDYDNUSA-N 1 0 387.524 3.675 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H](CC)Cc1ccc3c(c1)OCO3)C2 ZINC001170441717 882521854 /nfs/dbraw/zinc/52/18/54/882521854.db2.gz JZEFELQNKOWRAS-AJSBUHFISA-N 1 0 387.520 3.810 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3C)c2CC)CC1 ZINC000191629475 882544596 /nfs/dbraw/zinc/54/45/96/882544596.db2.gz VSBUPRPKMQUDGR-UHFFFAOYSA-N 1 0 381.524 3.905 20 30 GHEDRO [NH2+]=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001169719480 871808029 /nfs/dbraw/zinc/80/80/29/871808029.db2.gz AMIHQXMDFWTJTD-KRWDZBQOSA-N 1 0 375.394 3.716 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000776980778 882550088 /nfs/dbraw/zinc/55/00/88/882550088.db2.gz VADUGAHTXYVBSJ-BJKOFHAPSA-N 1 0 387.527 3.808 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463494099 871873796 /nfs/dbraw/zinc/87/37/96/871873796.db2.gz UZHCQBDJWHAWKK-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+]([C@H]3CCCN(C(=O)c4ccccc4)C3)C2)cc1 ZINC001169787937 871884147 /nfs/dbraw/zinc/88/41/47/871884147.db2.gz FUPPQZUAJNMOTR-GMAHTHKFSA-N 1 0 389.499 3.706 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000460270466 871918190 /nfs/dbraw/zinc/91/81/90/871918190.db2.gz VEHQOVNFNGDKNN-QHGAOEGBSA-N 1 0 386.540 3.668 20 30 GHEDRO CCCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000182142877 871924959 /nfs/dbraw/zinc/92/49/59/871924959.db2.gz JKWXWXODAYERFX-OAQYLSRUSA-N 1 0 386.517 3.862 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000552059222 871955355 /nfs/dbraw/zinc/95/53/55/871955355.db2.gz SHQCWGXUURQEIB-UHVFKWDWSA-N 1 0 377.488 3.826 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000618797408 872004194 /nfs/dbraw/zinc/00/41/94/872004194.db2.gz XZBOWAOCWXJUBZ-FCHUYYIVSA-N 1 0 376.504 3.710 20 30 GHEDRO C[N@H+](CCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)C1CCCCC1 ZINC000429724823 872017775 /nfs/dbraw/zinc/01/77/75/872017775.db2.gz XKQWDBUWKADZQG-UHFFFAOYSA-N 1 0 393.535 3.848 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000618812935 872020995 /nfs/dbraw/zinc/02/09/95/872020995.db2.gz JAMKLIQERZBPCK-HXUWFJFHSA-N 1 0 398.576 3.596 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC001194930662 872036659 /nfs/dbraw/zinc/03/66/59/872036659.db2.gz HAQOADOFNPYBHL-JOCHJYFZSA-N 1 0 380.488 3.829 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000507229232 872062582 /nfs/dbraw/zinc/06/25/82/872062582.db2.gz IKMBLAZVWCGZCG-HOTGVXAUSA-N 1 0 391.475 3.557 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763516834 872231147 /nfs/dbraw/zinc/23/11/47/872231147.db2.gz FSBHQQWZQQMWAT-NJYVYQBISA-N 1 0 399.535 3.846 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)Nc2cnn(CC)c2)[n+]2ccccc2)cc1 ZINC000101900555 872353788 /nfs/dbraw/zinc/35/37/88/872353788.db2.gz KJZCCOXAUNWQFC-UHFFFAOYSA-O 1 0 379.509 3.804 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccccc1 ZINC000022804003 872399678 /nfs/dbraw/zinc/39/96/78/872399678.db2.gz CXWBDEOKGSDVRP-UHFFFAOYSA-O 1 0 378.315 3.675 20 30 GHEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478044541 872411847 /nfs/dbraw/zinc/41/18/47/872411847.db2.gz DDIKWBGCYCWTBZ-OAQYLSRUSA-N 1 0 388.508 3.670 20 30 GHEDRO C[N@H+](CCC(=O)N[C@H](C#N)c1ccccc1Br)C1CCCCC1 ZINC000619242656 872483492 /nfs/dbraw/zinc/48/34/92/872483492.db2.gz DYIIDLNKARIQOY-QGZVFWFLSA-N 1 0 378.314 3.785 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448019679 872675580 /nfs/dbraw/zinc/67/55/80/872675580.db2.gz XPPWELYRTMHMCQ-HXUWFJFHSA-N 1 0 398.551 3.743 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(C#N)c2)C12CCCC2 ZINC001195844299 872710900 /nfs/dbraw/zinc/71/09/00/872710900.db2.gz ZXPLFDZMCVGGGZ-RTBURBONSA-N 1 0 385.508 3.503 20 30 GHEDRO C[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C#N)cc1 ZINC000527156566 872740012 /nfs/dbraw/zinc/74/00/12/872740012.db2.gz FRZVZUQGXYEAFY-NLNFPOJYSA-N 1 0 394.441 3.724 20 30 GHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccccc2CC#N)c2ccccc2)CC1 ZINC000619572735 872749850 /nfs/dbraw/zinc/74/98/50/872749850.db2.gz QZQXRBJIKOANDN-OAQYLSRUSA-N 1 0 397.544 3.504 20 30 GHEDRO CCCNC(=O)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182778715 872767936 /nfs/dbraw/zinc/76/79/36/872767936.db2.gz IQTTVTICKOTYFT-UHFFFAOYSA-N 1 0 376.504 3.775 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000541055363 872809064 /nfs/dbraw/zinc/80/90/64/872809064.db2.gz XURLUKNDFPYKIU-MAUKXSAKSA-N 1 0 375.538 3.550 20 30 GHEDRO C=CCn1c(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1cccc(Cl)c1 ZINC000541077073 872864025 /nfs/dbraw/zinc/86/40/25/872864025.db2.gz KUWDMWSJZYOSRU-CALCHBBNSA-N 1 0 390.940 3.740 20 30 GHEDRO CN1Cc2ccccc2[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000619666896 872880927 /nfs/dbraw/zinc/88/09/27/872880927.db2.gz DIWXXYPAZIIHEO-INIZCTEOSA-N 1 0 390.365 3.765 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000794425888 872956161 /nfs/dbraw/zinc/95/61/61/872956161.db2.gz ADFYWYBRYMYYBX-GOSISDBHSA-N 1 0 383.319 3.532 20 30 GHEDRO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000478427241 873009874 /nfs/dbraw/zinc/00/98/74/873009874.db2.gz HKLJPKIOUFEPLA-NRFANRHFSA-N 1 0 382.529 3.601 20 30 GHEDRO COc1ccc(N2CCC([NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000102432942 873059830 /nfs/dbraw/zinc/05/98/30/873059830.db2.gz CYCPNHZHXMAXRC-UHFFFAOYSA-N 1 0 378.520 3.804 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000619810123 873067073 /nfs/dbraw/zinc/06/70/73/873067073.db2.gz ZFXJGYIAFXQXSS-GOSISDBHSA-N 1 0 386.883 3.831 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c[nH]nc3-c3ccsc3)CC2)cc1 ZINC000527355885 873073795 /nfs/dbraw/zinc/07/37/95/873073795.db2.gz CMGTZDSNZAEIIQ-UHFFFAOYSA-N 1 0 377.517 3.718 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000153030665 873122169 /nfs/dbraw/zinc/12/21/69/873122169.db2.gz RWWMQGWVVWVXIW-OAHLLOKOSA-N 1 0 394.357 3.796 20 30 GHEDRO N#Cc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001196707009 873313084 /nfs/dbraw/zinc/31/30/84/873313084.db2.gz NMFVXGPNGXWPIT-UHFFFAOYSA-N 1 0 395.956 3.535 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000768498321 873338693 /nfs/dbraw/zinc/33/86/93/873338693.db2.gz HOXHOERTGZOQEI-AZUAARDMSA-N 1 0 397.592 3.949 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768541096 873372351 /nfs/dbraw/zinc/37/23/51/873372351.db2.gz YZIOWNAHTNWUHA-UHFFFAOYSA-N 1 0 381.561 3.523 20 30 GHEDRO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCC(=O)N(C)CCC#N)c1 ZINC000541330165 873379193 /nfs/dbraw/zinc/37/91/93/873379193.db2.gz KNASKYYKXAQEBG-VWNXMTODSA-N 1 0 391.515 3.988 20 30 GHEDRO CC[C@]1(O)CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC001196831633 873390096 /nfs/dbraw/zinc/39/00/96/873390096.db2.gz MPRPIZFMBZBXMT-QFIPXVFZSA-N 1 0 386.540 3.657 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527702565 873473510 /nfs/dbraw/zinc/47/35/10/873473510.db2.gz GPNQMVORKRASBL-BDJLRTHQSA-N 1 0 382.327 3.972 20 30 GHEDRO COc1cccc([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)OC)c1 ZINC000527739512 873543700 /nfs/dbraw/zinc/54/37/00/873543700.db2.gz OISKCVYGHHTHAF-QFIPXVFZSA-N 1 0 390.487 3.950 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670607 873551061 /nfs/dbraw/zinc/55/10/61/873551061.db2.gz FZFWOTBJODUDGU-IBGZPJMESA-N 1 0 389.908 3.593 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC001197117231 873609964 /nfs/dbraw/zinc/60/99/64/873609964.db2.gz ZHZWNKWUUBZGJH-SFHVURJKSA-N 1 0 377.257 3.668 20 30 GHEDRO CSc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1F ZINC001197122224 873612921 /nfs/dbraw/zinc/61/29/21/873612921.db2.gz RDXSCSJLPGNQRX-UHFFFAOYSA-N 1 0 383.492 3.836 20 30 GHEDRO CCc1cc(C(=O)N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)ccc1C#N ZINC001197282121 873709408 /nfs/dbraw/zinc/70/94/08/873709408.db2.gz NPQKXUNIGJIOIW-UHFFFAOYSA-N 1 0 379.479 3.996 20 30 GHEDRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCSCc1ccccc1C#N ZINC000541541709 873800687 /nfs/dbraw/zinc/80/06/87/873800687.db2.gz GPAHGBDRWXUDAX-HSZRJFAPSA-N 1 0 395.572 3.763 20 30 GHEDRO Cc1cc(N2CCN(C(=S)Nc3cccc(C#N)c3)CC2)c2ccccc2[nH+]1 ZINC001197686857 873981210 /nfs/dbraw/zinc/98/12/10/873981210.db2.gz GRVPFROFRWXANV-UHFFFAOYSA-N 1 0 387.512 3.934 20 30 GHEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000448813941 873985091 /nfs/dbraw/zinc/98/50/91/873985091.db2.gz VIVGZIILLJNTPH-KUHUBIRLSA-N 1 0 379.426 3.678 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)cc1 ZINC000769418422 874035081 /nfs/dbraw/zinc/03/50/81/874035081.db2.gz KCAPUXIHUKKFGR-QGZVFWFLSA-N 1 0 377.406 3.658 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000448842850 874065609 /nfs/dbraw/zinc/06/56/09/874065609.db2.gz GOTCDFONDUOWRN-HNNXBMFYSA-N 1 0 378.314 3.705 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000769460498 874086469 /nfs/dbraw/zinc/08/64/69/874086469.db2.gz LADLPSNQMIYTEV-JOCHJYFZSA-N 1 0 376.504 3.664 20 30 GHEDRO N#Cc1cccc(OCC[N@H+](CCCOc2ccccc2)C2CCOCC2)c1 ZINC000464598809 874133025 /nfs/dbraw/zinc/13/30/25/874133025.db2.gz ODJGCEFJYQCYMW-UHFFFAOYSA-N 1 0 380.488 3.887 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2ccc(F)c(CC#N)c2)cc1 ZINC001198029629 874188610 /nfs/dbraw/zinc/18/86/10/874188610.db2.gz FYCFTTNLJOCWMP-UHFFFAOYSA-N 1 0 382.483 3.528 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC001198032915 874189831 /nfs/dbraw/zinc/18/98/31/874189831.db2.gz CEUIJAOKXCONDI-GOSISDBHSA-N 1 0 379.464 3.692 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CCCCC1 ZINC001198084742 874205236 /nfs/dbraw/zinc/20/52/36/874205236.db2.gz KQRHOHQSYRFECA-KDURUIRLSA-N 1 0 383.536 3.555 20 30 GHEDRO C=CCC1(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000448949593 874244433 /nfs/dbraw/zinc/24/44/33/874244433.db2.gz IYPMTSQNTIBFTN-UHFFFAOYSA-N 1 0 397.563 3.655 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000528274740 874295759 /nfs/dbraw/zinc/29/57/59/874295759.db2.gz BRCZOQRUUDPTHO-KSEOMHKRSA-N 1 0 393.918 3.688 20 30 GHEDRO CC(=NNc1ccnc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000769802475 874296740 /nfs/dbraw/zinc/29/67/40/874296740.db2.gz IISSBQZLSGIPOE-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)cc1 ZINC001198231278 874298996 /nfs/dbraw/zinc/29/89/96/874298996.db2.gz VADJXCHWMHUXIC-IBGZPJMESA-N 1 0 383.879 3.637 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)cc1 ZINC001198346468 874365412 /nfs/dbraw/zinc/36/54/12/874365412.db2.gz OGTXJBKLWKUTFC-FQEVSTJZSA-N 1 0 385.305 3.847 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(OC)cc2)cc1OC ZINC000858092852 882838016 /nfs/dbraw/zinc/83/80/16/882838016.db2.gz LBBMANSMRWIELP-GOSISDBHSA-N 1 0 377.868 3.745 20 30 GHEDRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000770383955 874624953 /nfs/dbraw/zinc/62/49/53/874624953.db2.gz DLRVBGNIFAGKIX-PKOBYXMFSA-N 1 0 386.540 3.772 20 30 GHEDRO Cc1c(O)ccc2c(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cc(=O)oc12 ZINC000104714776 874662055 /nfs/dbraw/zinc/66/20/55/874662055.db2.gz XUTWHKULUQIPGP-UHFFFAOYSA-N 1 0 390.439 3.722 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005395 874749657 /nfs/dbraw/zinc/74/96/57/874749657.db2.gz JIWFHVIIIZWLLR-VGSWGCGISA-N 1 0 399.498 3.805 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc(CCc4ccccc4)s3)C2)nc1 ZINC000449335889 874754716 /nfs/dbraw/zinc/75/47/16/874754716.db2.gz KSKAXBJWTBELGT-IBGZPJMESA-N 1 0 390.512 3.848 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000449356838 874778770 /nfs/dbraw/zinc/77/87/70/874778770.db2.gz JJMOPHUINPQASL-HNNXBMFYSA-N 1 0 377.893 3.566 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000464944148 874831771 /nfs/dbraw/zinc/83/17/71/874831771.db2.gz WBAWGWHYPJTBHQ-DENIHFKCSA-N 1 0 391.515 3.696 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000804455246 882868078 /nfs/dbraw/zinc/86/80/78/882868078.db2.gz YHJZLMIMBPCQPG-QHCPKHFHSA-N 1 0 389.543 3.581 20 30 GHEDRO COc1ccc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1OCCCC#N ZINC000449428898 874847529 /nfs/dbraw/zinc/84/75/29/874847529.db2.gz ULMRWQQNNUFZKN-NFBKMPQASA-N 1 0 398.478 3.678 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2nc(Cl)c(C#N)s2)CCOCC1)c1ccccc1 ZINC000804457404 882869500 /nfs/dbraw/zinc/86/95/00/882869500.db2.gz VMVNTXAMDYNBPX-ZDUSSCGKSA-N 1 0 376.913 3.980 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)cn1 ZINC000528851768 875154320 /nfs/dbraw/zinc/15/43/20/875154320.db2.gz YHLLOTNESHZFLV-BUXKBTBVSA-N 1 0 384.867 3.683 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000771301346 875170538 /nfs/dbraw/zinc/17/05/38/875170538.db2.gz SSKCBLOOPSBJQU-UHFFFAOYSA-N 1 0 390.409 3.563 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)C[NH+](C)C ZINC001199762820 875170637 /nfs/dbraw/zinc/17/06/37/875170637.db2.gz YNSAEWKHQIMZKO-INIZCTEOSA-N 1 0 380.492 3.765 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H]1n1cccn1 ZINC000449657454 875195280 /nfs/dbraw/zinc/19/52/80/875195280.db2.gz PDZKICHAKQLMJP-NJYVYQBISA-N 1 0 382.508 3.853 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000465194640 875262317 /nfs/dbraw/zinc/26/23/17/875262317.db2.gz PVHXQKPPVVUFCF-SFHVURJKSA-N 1 0 377.488 3.850 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000776087054 875320756 /nfs/dbraw/zinc/32/07/56/875320756.db2.gz BYZSKNYSEYIFBN-UYAOXDASSA-N 1 0 377.488 3.731 20 30 GHEDRO COc1cc(F)cc(C[C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449784141 875390718 /nfs/dbraw/zinc/39/07/18/875390718.db2.gz VKWBFVSPNXXHLH-QGZVFWFLSA-N 1 0 381.495 3.891 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@@H]2C[NH+]2CCCC2)c(Br)c1 ZINC001201121628 875536207 /nfs/dbraw/zinc/53/62/07/875536207.db2.gz ALDGKQWIQGELEW-CQSZACIVSA-N 1 0 393.354 3.578 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000772110707 875701357 /nfs/dbraw/zinc/70/13/57/875701357.db2.gz TXBVUEZVWYAGLW-UHFFFAOYSA-N 1 0 398.890 3.702 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000106036909 875711141 /nfs/dbraw/zinc/71/11/41/875711141.db2.gz GQOLMIUNRXQSTC-UHFFFAOYSA-N 1 0 387.524 3.733 20 30 GHEDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000271848631 875715331 /nfs/dbraw/zinc/71/53/31/875715331.db2.gz IFSYOIBMIFWOKI-HOYKHHGWSA-N 1 0 393.531 3.897 20 30 GHEDRO COCc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1C#N ZINC000529211881 875834966 /nfs/dbraw/zinc/83/49/66/875834966.db2.gz PKKPVOJVOZSXOW-IERDGZPVSA-N 1 0 378.476 3.662 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001201776731 875875198 /nfs/dbraw/zinc/87/51/98/875875198.db2.gz JELMBHSHESROGZ-RTWAWAEBSA-N 1 0 378.582 3.634 20 30 GHEDRO CCCCCCCCC[N@@H+]1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001201839606 875899908 /nfs/dbraw/zinc/89/99/08/875899908.db2.gz NTDWGIDLCIIERP-URVUXULASA-N 1 0 380.573 3.608 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCCO1 ZINC001202074754 876004715 /nfs/dbraw/zinc/00/47/15/876004715.db2.gz UDWLOMIQGMBQNB-OCCSQVGLSA-N 1 0 378.188 3.618 20 30 GHEDRO C#CCN(C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)C1CC[NH+](C)CC1 ZINC000921466449 882997461 /nfs/dbraw/zinc/99/74/61/882997461.db2.gz BMMGEIGINPGIPU-OAQYLSRUSA-N 1 0 396.922 3.563 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492058288 876148548 /nfs/dbraw/zinc/14/85/48/876148548.db2.gz DHLHKXXDXHWHCE-SFHVURJKSA-N 1 0 380.257 3.976 20 30 GHEDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1cccc(C#N)c1 ZINC000785711122 876216522 /nfs/dbraw/zinc/21/65/22/876216522.db2.gz TVGWDWIDWHUEDG-KRWDZBQOSA-N 1 0 378.472 3.681 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000121779276 876230671 /nfs/dbraw/zinc/23/06/71/876230671.db2.gz BYOFALVTPDSRHB-RTBURBONSA-N 1 0 390.531 3.856 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1OCCCC#N ZINC000492207368 876434153 /nfs/dbraw/zinc/43/41/53/876434153.db2.gz FMURGFLQILDZFQ-SFHVURJKSA-N 1 0 383.467 3.885 20 30 GHEDRO C#CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000108519042 876483171 /nfs/dbraw/zinc/48/31/71/876483171.db2.gz PAFWKDCDLJQTSC-UHFFFAOYSA-N 1 0 383.517 3.794 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000450477451 876492067 /nfs/dbraw/zinc/49/20/67/876492067.db2.gz BAGMGZRQSRAPQO-KNQAVFIVSA-N 1 0 378.516 3.821 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)o2)cc1 ZINC000529718056 876557496 /nfs/dbraw/zinc/55/74/96/876557496.db2.gz IHCTXYXLTGBQNR-LJQANCHMSA-N 1 0 393.487 3.867 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000609353889 883044312 /nfs/dbraw/zinc/04/43/12/883044312.db2.gz YSPFKANBZGXFHW-HZPDHXFCSA-N 1 0 397.548 3.990 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000850245215 876754528 /nfs/dbraw/zinc/75/45/28/876754528.db2.gz FZBYGBDCABUFHR-UHFFFAOYSA-N 1 0 375.516 3.983 20 30 GHEDRO CC[C@@H](C(=O)OC[C@H](C#N)Cc1ccccc1Br)[NH+](CC)CC ZINC000786639523 876860683 /nfs/dbraw/zinc/86/06/83/876860683.db2.gz MQCNSTSCJBLCDH-YOEHRIQHSA-N 1 0 381.314 3.795 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)C)CC1 ZINC000460867034 876908102 /nfs/dbraw/zinc/90/81/02/876908102.db2.gz YRQSIHYWJMWPEI-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786892448 877010286 /nfs/dbraw/zinc/01/02/86/877010286.db2.gz RLURJARSVFVEKN-WIYYLYMNSA-N 1 0 397.519 3.580 20 30 GHEDRO Cc1cccc(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)c1C ZINC000109391116 877015001 /nfs/dbraw/zinc/01/50/01/877015001.db2.gz LYKUJUGPSMKOHE-UHFFFAOYSA-N 1 0 394.519 3.565 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000850721402 877125776 /nfs/dbraw/zinc/12/57/76/877125776.db2.gz QJDHLGRXLUGVBL-YHAGJJCESA-N 1 0 384.520 3.511 20 30 GHEDRO Cc1nc(SCC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000064309583 883112872 /nfs/dbraw/zinc/11/28/72/883112872.db2.gz HOWADZKASGZNBR-QKKBWIMNSA-N 1 0 388.581 3.597 20 30 GHEDRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000443975772 877305702 /nfs/dbraw/zinc/30/57/02/877305702.db2.gz BMZDWQFAGBYOJU-KRWDZBQOSA-N 1 0 397.544 3.577 20 30 GHEDRO CO[C@@H](C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000851108167 877414678 /nfs/dbraw/zinc/41/46/78/877414678.db2.gz AMAANBPGTOUMDT-OAQYLSRUSA-N 1 0 384.520 3.931 20 30 GHEDRO N#CC1(COC(=O)c2ncnc3ccsc32)CC[NH+](Cc2ccccc2)CC1 ZINC000851108457 877416311 /nfs/dbraw/zinc/41/63/11/877416311.db2.gz CXAYEZIWQMGWOK-UHFFFAOYSA-N 1 0 392.484 3.654 20 30 GHEDRO Cc1cc(C)cc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000610139388 877424035 /nfs/dbraw/zinc/42/40/35/877424035.db2.gz UQSBXYSOIYHZNP-UHFFFAOYSA-N 1 0 390.531 3.635 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2 ZINC001183076000 912235266 /nfs/dbraw/zinc/23/52/66/912235266.db2.gz MISAGHXBEXTOJF-UHFFFAOYSA-N 1 0 385.508 3.965 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@H]1C ZINC000610133544 877449255 /nfs/dbraw/zinc/44/92/55/877449255.db2.gz ILBANGVYTWLHTR-UZLBHIALSA-N 1 0 399.583 3.835 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000610162282 877467715 /nfs/dbraw/zinc/46/77/15/877467715.db2.gz PEVLDZDOBRCLFY-YKSBVNFPSA-N 1 0 393.531 3.748 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000477385792 877550400 /nfs/dbraw/zinc/55/04/00/877550400.db2.gz YNKYGVIUBRWAAU-LJQANCHMSA-N 1 0 378.520 3.999 20 30 GHEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000667002622 877555236 /nfs/dbraw/zinc/55/52/36/877555236.db2.gz SSBGTKISTZJRRJ-QFIPXVFZSA-N 1 0 385.552 3.538 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000530357520 877625217 /nfs/dbraw/zinc/62/52/17/877625217.db2.gz DMHOCCKZKGTJCB-GHTZIAJQSA-N 1 0 378.476 3.912 20 30 GHEDRO C[C@@H]1CN(CCCSCC#N)C2(CCCC2)C[N@@H+]1CCCSCC#N ZINC000451342317 877787526 /nfs/dbraw/zinc/78/75/26/877787526.db2.gz NQQHWMVOYITOSU-GOSISDBHSA-N 1 0 380.627 3.599 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(C#N)cc1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183146741 912302847 /nfs/dbraw/zinc/30/28/47/912302847.db2.gz AQBIKPATTBXGQA-KRWDZBQOSA-N 1 0 395.503 3.944 20 30 GHEDRO CSc1cccc(NC(=O)[C@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000852054888 878052418 /nfs/dbraw/zinc/05/24/18/878052418.db2.gz KIIFEAMDXNNTCO-INIZCTEOSA-N 1 0 399.516 3.623 20 30 GHEDRO CSc1ccc(NC(=O)[C@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000852054696 878052763 /nfs/dbraw/zinc/05/27/63/878052763.db2.gz FTAWTYVESIKQJX-INIZCTEOSA-N 1 0 399.516 3.623 20 30 GHEDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H]1C ZINC000451522869 878082918 /nfs/dbraw/zinc/08/29/18/878082918.db2.gz BVPOGFMDDZUVJC-IIDMSEBBSA-N 1 0 389.565 3.820 20 30 GHEDRO C[NH+](C)Cc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000788522700 878129483 /nfs/dbraw/zinc/12/94/83/878129483.db2.gz DJDFAKHNKXDWDD-UHFFFAOYSA-N 1 0 378.455 3.672 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000451604586 878204534 /nfs/dbraw/zinc/20/45/34/878204534.db2.gz HOSAIEGTZVXWPB-OLZOCXBDSA-N 1 0 382.304 3.596 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](CCCSCC#N)C2)CC1 ZINC000852303181 878218620 /nfs/dbraw/zinc/21/86/20/878218620.db2.gz LULYNEVJIVDPCQ-SFHVURJKSA-N 1 0 381.586 3.992 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(-c3ccc(OC)cc3)cs2)CC1 ZINC000176337917 878220044 /nfs/dbraw/zinc/22/00/44/878220044.db2.gz PSKBMOGVUINNLL-UHFFFAOYSA-N 1 0 385.533 3.873 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000451600942 878226894 /nfs/dbraw/zinc/22/68/94/878226894.db2.gz SQVPTVZKAHUKAG-WSTZPKSXSA-N 1 0 386.879 3.962 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000451675078 878294739 /nfs/dbraw/zinc/29/47/39/878294739.db2.gz OPSGMOPLMUIPBP-NRSPTQNISA-N 1 0 393.487 3.589 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000451676245 878296884 /nfs/dbraw/zinc/29/68/84/878296884.db2.gz SENDRUWFKMJWSC-SQNIBIBYSA-N 1 0 383.319 3.980 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1-n1cccn1 ZINC000180001708 878342877 /nfs/dbraw/zinc/34/28/77/878342877.db2.gz KBJURCQVGSUVPD-LAUBAEHRSA-N 1 0 385.471 3.590 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001275119426 912357321 /nfs/dbraw/zinc/35/73/21/912357321.db2.gz RPSGQOQHIUUEDZ-SFHVURJKSA-N 1 0 378.479 3.993 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000177103067 878561595 /nfs/dbraw/zinc/56/15/95/878561595.db2.gz YOZHVKXLHGNKBW-UHFFFAOYSA-N 1 0 380.536 3.858 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)c(C#N)c1C ZINC000852732230 878562562 /nfs/dbraw/zinc/56/25/62/878562562.db2.gz SGOTWJFAQKKXDL-OALUTQOASA-N 1 0 389.883 3.708 20 30 GHEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000177267227 878626424 /nfs/dbraw/zinc/62/64/24/878626424.db2.gz WSACHKQMFXSRIN-QKLQHJQFSA-N 1 0 380.454 3.631 20 30 GHEDRO Cc1sc([C@H](C)NC(=O)C#CC2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000852849453 878633730 /nfs/dbraw/zinc/63/37/30/878633730.db2.gz FYWGAYCJEFPAAR-ZDUSSCGKSA-N 1 0 387.936 3.952 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000238052976 878648548 /nfs/dbraw/zinc/64/85/48/878648548.db2.gz IEWMZCKTGGUGTN-JOCHJYFZSA-N 1 0 377.488 3.822 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460932213 878810275 /nfs/dbraw/zinc/81/02/75/878810275.db2.gz VYEGDRKKFLMNSU-IBGZPJMESA-N 1 0 390.535 3.950 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460932584 878852235 /nfs/dbraw/zinc/85/22/35/878852235.db2.gz WCZUFDSTPPMISG-TZIWHRDSSA-N 1 0 397.567 3.908 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001183292615 912400879 /nfs/dbraw/zinc/40/08/79/912400879.db2.gz CNAOVDDQBHRZGT-UHFFFAOYSA-N 1 0 387.527 3.661 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248772354 912401233 /nfs/dbraw/zinc/40/12/33/912401233.db2.gz HJZOCEKPIPYXFK-HLIPFELVSA-N 1 0 378.476 3.619 20 30 GHEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc2)c1 ZINC000538201822 878988486 /nfs/dbraw/zinc/98/84/86/878988486.db2.gz QKRNFUUZGOLOOU-IBGZPJMESA-N 1 0 379.504 3.987 20 30 GHEDRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000616772627 879043073 /nfs/dbraw/zinc/04/30/73/879043073.db2.gz GCFCESDRGWRAEI-QHCPKHFHSA-N 1 0 389.478 3.702 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@H](CCF)C2)c1=S ZINC000853563526 879119208 /nfs/dbraw/zinc/11/92/08/879119208.db2.gz COYLTDJOWCZIMJ-GOSISDBHSA-N 1 0 395.592 3.658 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(-c2ccncc2)n1 ZINC000789740277 879256060 /nfs/dbraw/zinc/25/60/60/879256060.db2.gz UDXIZGCGPASUIJ-PMACEKPBSA-N 1 0 391.475 3.540 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1 ZINC000068919811 879256545 /nfs/dbraw/zinc/25/65/45/879256545.db2.gz ZNGAVHHFQWPWGH-UHFFFAOYSA-N 1 0 391.302 3.522 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[N@@H+]1C ZINC000616972030 879275128 /nfs/dbraw/zinc/27/51/28/879275128.db2.gz IJCOQSOKBUFRKT-LJQANCHMSA-N 1 0 379.464 3.549 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1cccc(C[N@@H+](CC)CCCC)c1)C1CCOCC1 ZINC000853857747 879335297 /nfs/dbraw/zinc/33/52/97/879335297.db2.gz CVTCXEADMSLOCB-JOCHJYFZSA-N 1 0 385.552 3.536 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564378776 879365785 /nfs/dbraw/zinc/36/57/85/879365785.db2.gz RLFCOCMWZPPPDS-SFHVURJKSA-N 1 0 388.519 3.661 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000538373245 879370699 /nfs/dbraw/zinc/37/06/99/879370699.db2.gz XGMUWOQUNJPQOZ-SJORKVTESA-N 1 0 376.520 3.683 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814412 879375134 /nfs/dbraw/zinc/37/51/34/879375134.db2.gz XVHNDMAPPBDCDJ-QAPCUYQASA-N 1 0 382.460 3.998 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000180823103 879388229 /nfs/dbraw/zinc/38/82/29/879388229.db2.gz GUMFDBFTMGQRAJ-ZVLZEYJHSA-N 1 0 393.535 3.842 20 30 GHEDRO Cn1cc(C#N)cc1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452450178 879462525 /nfs/dbraw/zinc/46/25/25/879462525.db2.gz GEFOSPFWZVKMBG-QFIPXVFZSA-N 1 0 390.531 3.660 20 30 GHEDRO Cc1ccc2ncc(C#N)c(NCc3ccc(OC4CC[NH+](C)CC4)cc3)c2c1 ZINC000487734754 879821901 /nfs/dbraw/zinc/82/19/01/879821901.db2.gz WNCIWYYSQBXYHV-UHFFFAOYSA-N 1 0 386.499 3.922 20 30 GHEDRO N#CCn1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc2ccccc21 ZINC000609174038 880204252 /nfs/dbraw/zinc/20/42/52/880204252.db2.gz WWVCNAPZYAQOCU-UHFFFAOYSA-N 1 0 378.520 3.893 20 30 GHEDRO C#Cc1cccc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000113535481 880659839 /nfs/dbraw/zinc/65/98/39/880659839.db2.gz OHDGNWGXBJFMSB-SFHVURJKSA-N 1 0 377.488 3.689 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC000286152164 912592674 /nfs/dbraw/zinc/59/26/74/912592674.db2.gz OXCDBTIQQZOYFP-FGZHOGPDSA-N 1 0 383.442 3.925 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc(F)c(F)c1 ZINC000185828295 880704605 /nfs/dbraw/zinc/70/46/05/880704605.db2.gz KTLYFNLHRFBDFQ-HXUWFJFHSA-N 1 0 388.462 3.750 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000453348627 880820531 /nfs/dbraw/zinc/82/05/31/880820531.db2.gz FVMNDWNWUPWHIR-DZGCQCFKSA-N 1 0 391.284 3.962 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000453353470 880825773 /nfs/dbraw/zinc/82/57/73/880825773.db2.gz IARYZEMTDCOZJF-CZUORRHYSA-N 1 0 391.284 3.962 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000453415329 880880761 /nfs/dbraw/zinc/88/07/61/880880761.db2.gz RPJVDJUKSGIUOQ-HXUWFJFHSA-N 1 0 389.588 3.900 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453431577 880935109 /nfs/dbraw/zinc/93/51/09/880935109.db2.gz AAOFJZVZQKDWPM-RTWAWAEBSA-N 1 0 395.551 3.664 20 30 GHEDRO C=CCn1c(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453432493 880936435 /nfs/dbraw/zinc/93/64/35/880936435.db2.gz BUPDFECBJUIEEK-JOCHJYFZSA-N 1 0 389.588 3.827 20 30 GHEDRO C#C[C@H](NC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC)C1CCOCC1 ZINC000856108302 880964754 /nfs/dbraw/zinc/96/47/54/880964754.db2.gz GRRVIMBYKUMWIS-OALUTQOASA-N 1 0 396.453 3.633 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000453463800 880965113 /nfs/dbraw/zinc/96/51/13/880965113.db2.gz JSGVWYFPVGBIQJ-HNJRGHQBSA-N 1 0 385.556 3.547 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000453465056 880969110 /nfs/dbraw/zinc/96/91/10/880969110.db2.gz LYBKNWQUBCDLID-LJQANCHMSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000453451864 881006642 /nfs/dbraw/zinc/00/66/42/881006642.db2.gz KLUZLWXZQVYKGS-FPOVZHCZSA-N 1 0 395.551 3.664 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000792326727 881049735 /nfs/dbraw/zinc/04/97/35/881049735.db2.gz MHLVYCAWWGTUDV-HXUWFJFHSA-N 1 0 399.535 3.705 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000494225795 881273582 /nfs/dbraw/zinc/27/35/82/881273582.db2.gz CQYPSSWDCYGGEY-IEBWSBKVSA-N 1 0 375.806 3.551 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000074130059 881325214 /nfs/dbraw/zinc/32/52/14/881325214.db2.gz DGWFRUOKVOVZQM-DQVLVPHSSA-N 1 0 377.573 3.796 20 30 GHEDRO N#CCn1c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc2ccccc21 ZINC000609444836 883198734 /nfs/dbraw/zinc/19/87/34/883198734.db2.gz ZDDZIKYZLYBEPT-FQEVSTJZSA-N 1 0 378.520 3.939 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)nc1 ZINC000609514171 883312712 /nfs/dbraw/zinc/31/27/12/883312712.db2.gz GANQJEFWDACZBE-UHFFFAOYSA-N 1 0 378.476 3.741 20 30 GHEDRO CCCCCCCCOC(=O)[C@@H](N)Cc1cn(-c2cnnnc2)c2ccccc12 ZINC001170465261 883313570 /nfs/dbraw/zinc/31/35/70/883313570.db2.gz WIBXAZAYYXYVMG-FQEVSTJZSA-N 1 0 395.507 3.589 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1C#N ZINC000609529473 883317597 /nfs/dbraw/zinc/31/75/97/883317597.db2.gz LYZQPNRHRAZUOZ-OAHLLOKOSA-N 1 0 394.544 3.803 20 30 GHEDRO CN(C(=O)c1cc2ccccc2n1CC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000609587546 883381473 /nfs/dbraw/zinc/38/14/73/883381473.db2.gz KJRATQXPUJQOHR-UHFFFAOYSA-N 1 0 386.499 3.901 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609639827 883468776 /nfs/dbraw/zinc/46/87/76/883468776.db2.gz FZZOVYBWYHGABN-QFIPXVFZSA-N 1 0 376.504 3.927 20 30 GHEDRO CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173397249 883486955 /nfs/dbraw/zinc/48/69/55/883486955.db2.gz JMEUAOPFMHQABU-UHFFFAOYSA-N 1 0 387.487 3.705 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000609632119 883489932 /nfs/dbraw/zinc/48/99/32/883489932.db2.gz MYOLGPQTYKHIJG-GOSISDBHSA-N 1 0 397.544 3.720 20 30 GHEDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000609637034 883493294 /nfs/dbraw/zinc/49/32/94/883493294.db2.gz JKPZCEJCAYYGFA-FCHUYYIVSA-N 1 0 391.515 3.874 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)c1 ZINC000263035126 883499132 /nfs/dbraw/zinc/49/91/32/883499132.db2.gz BSKHUVJINPPPBD-UHFFFAOYSA-N 1 0 379.913 3.677 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000064483081 883499215 /nfs/dbraw/zinc/49/92/15/883499215.db2.gz IHAVFTDUVPHRMJ-KRWDZBQOSA-N 1 0 381.520 3.945 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000609663014 883507084 /nfs/dbraw/zinc/50/70/84/883507084.db2.gz PFDJUACOXACLFX-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000609679716 883536541 /nfs/dbraw/zinc/53/65/41/883536541.db2.gz CQZSPQFLCKDNIA-OAQYLSRUSA-N 1 0 377.488 3.740 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(C)(C)C ZINC000609698648 883575672 /nfs/dbraw/zinc/57/56/72/883575672.db2.gz MEQBUGPIIXVOMC-IBGZPJMESA-N 1 0 380.492 3.842 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465431137 883692378 /nfs/dbraw/zinc/69/23/78/883692378.db2.gz SGVLERVDIMNPFK-YTFSRNRJSA-N 1 0 390.531 3.641 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194166805 883704602 /nfs/dbraw/zinc/70/46/02/883704602.db2.gz GDOJOPUPMQKLBO-HXUWFJFHSA-N 1 0 379.504 3.573 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000805329490 883759377 /nfs/dbraw/zinc/75/93/77/883759377.db2.gz LWNMMTLYPFKLBE-PGRDOPGGSA-N 1 0 376.504 3.665 20 30 GHEDRO Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1OCC[NH+]1CCCC1 ZINC000609887146 883796218 /nfs/dbraw/zinc/79/62/18/883796218.db2.gz XDHBSMBJPCDRGZ-GOSISDBHSA-N 1 0 393.487 3.747 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000551424676 883852165 /nfs/dbraw/zinc/85/21/65/883852165.db2.gz NRAVUMUSDPTMSO-DYVFJYSZSA-N 1 0 386.323 3.669 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612101899 884005888 /nfs/dbraw/zinc/00/58/88/884005888.db2.gz WMGSBTPNYVZIIC-DNVJHFABSA-N 1 0 388.515 3.658 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC000129970117 884016403 /nfs/dbraw/zinc/01/64/03/884016403.db2.gz JDYYETPPQQYQKU-UHFFFAOYSA-N 1 0 385.552 3.544 20 30 GHEDRO COc1ccc(-c2ccc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)o2)c([N+](=O)[O-])c1 ZINC000897602244 884053067 /nfs/dbraw/zinc/05/30/67/884053067.db2.gz KOWVPKHBJFYAHE-UHFFFAOYSA-N 1 0 398.415 3.701 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000498319751 884055695 /nfs/dbraw/zinc/05/56/95/884055695.db2.gz AKFSVWGEJKHADR-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1F ZINC000805776742 884057988 /nfs/dbraw/zinc/05/79/88/884057988.db2.gz WDWIFRQTZGAACO-BEFAXECRSA-N 1 0 377.891 3.527 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)C1 ZINC000498338481 884103584 /nfs/dbraw/zinc/10/35/84/884103584.db2.gz DFNKWVSDWWRXHB-OALUTQOASA-N 1 0 375.516 3.895 20 30 GHEDRO N#CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1ccc(Cl)cc1 ZINC001130394295 884108773 /nfs/dbraw/zinc/10/87/73/884108773.db2.gz SEABQFBQMIUDPK-UHFFFAOYSA-N 1 0 381.779 3.604 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000918686306 884150326 /nfs/dbraw/zinc/15/03/26/884150326.db2.gz JQQNUHACNWWPIP-QFIPXVFZSA-N 1 0 379.504 3.870 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000918688056 884156000 /nfs/dbraw/zinc/15/60/00/884156000.db2.gz ILCJOFOMJQIBOJ-GSVIPDFHSA-N 1 0 384.524 3.574 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859894484 884158888 /nfs/dbraw/zinc/15/88/88/884158888.db2.gz SOTBZRQBUUZRLW-XMSQKQJNSA-N 1 0 375.516 3.863 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4ccc(Cl)cc43)C2=O)cc1 ZINC000576382082 884188562 /nfs/dbraw/zinc/18/85/62/884188562.db2.gz QXVYXDYAAVCXQF-LEWJYISDSA-N 1 0 379.891 3.980 20 30 GHEDRO C[C@H]1CCc2c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)csc2C1 ZINC000498372280 884201851 /nfs/dbraw/zinc/20/18/51/884201851.db2.gz GSSRYTQTPYOMIX-INIZCTEOSA-N 1 0 381.545 3.949 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000860167088 884389166 /nfs/dbraw/zinc/38/91/66/884389166.db2.gz BHOXSWONZVQDTG-NRFANRHFSA-N 1 0 399.535 3.796 20 30 GHEDRO C[C@H]([NH2+]CCOc1ccc(I)cc1)c1cccc(C#N)c1 ZINC000509512123 884430864 /nfs/dbraw/zinc/43/08/64/884430864.db2.gz PZYZWYXJRYLPLU-ZDUSSCGKSA-N 1 0 392.240 3.892 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000102803092 884464962 /nfs/dbraw/zinc/46/49/62/884464962.db2.gz QXQIQBGTUFQJTB-AWEZNQCLSA-N 1 0 380.439 3.793 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000888135736 884523355 /nfs/dbraw/zinc/52/33/55/884523355.db2.gz RBOCHVYRCRLWFR-UHFFFAOYSA-N 1 0 391.313 3.803 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2c(F)c(F)nc(F)c2F)c1C ZINC000914691988 884524305 /nfs/dbraw/zinc/52/43/05/884524305.db2.gz KSXMALNXXHOCRM-AWEZNQCLSA-N 1 0 397.420 3.987 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000176574983 884560651 /nfs/dbraw/zinc/56/06/51/884560651.db2.gz NRTNJDIUDQVVJZ-OALUTQOASA-N 1 0 393.572 3.617 20 30 GHEDRO C[C@@H](CCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000610434520 884575265 /nfs/dbraw/zinc/57/52/65/884575265.db2.gz BNGMUSSKEPEQBJ-CVDCTZTESA-N 1 0 390.531 3.554 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cnn(CC2CCC2)c1 ZINC000898179449 884639270 /nfs/dbraw/zinc/63/92/70/884639270.db2.gz KEZGDIVUBQQIFF-GOSISDBHSA-N 1 0 377.536 3.870 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000615229126 884869369 /nfs/dbraw/zinc/86/93/69/884869369.db2.gz MXXSGWYHVKRGSW-SJCJKPOMSA-N 1 0 393.256 3.550 20 30 GHEDRO C=CC1(CC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CN(C(=O)OC(C)(C)C)C1 ZINC001299189543 884884477 /nfs/dbraw/zinc/88/44/77/884884477.db2.gz YMNLCRBNHJVSHJ-UHFFFAOYSA-N 1 0 387.524 3.808 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3sc(N(CC)CC)nc3s2)CC1 ZINC000106034929 884934270 /nfs/dbraw/zinc/93/42/70/884934270.db2.gz QWYDCPUMPKMFGF-UHFFFAOYSA-N 1 0 392.594 3.974 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000783780255 885024297 /nfs/dbraw/zinc/02/42/97/885024297.db2.gz ZWQBJGVGJLTKQQ-UHFFFAOYSA-N 1 0 390.325 3.949 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000103474906 885024580 /nfs/dbraw/zinc/02/45/80/885024580.db2.gz USKNGVMLBLIQAB-UHFFFAOYSA-N 1 0 387.487 3.842 20 30 GHEDRO N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC000860825918 885032145 /nfs/dbraw/zinc/03/21/45/885032145.db2.gz RRYDBWQGPUCVIC-XBYSBRQOSA-N 1 0 389.499 3.923 20 30 GHEDRO N#CCOc1cccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)c1 ZINC000860832006 885035370 /nfs/dbraw/zinc/03/53/70/885035370.db2.gz HUKSANVANAOLHE-FCHUYYIVSA-N 1 0 376.456 3.653 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000806855952 885062474 /nfs/dbraw/zinc/06/24/74/885062474.db2.gz ATIFBKVZWZMNPG-TZIWHRDSSA-N 1 0 381.545 3.976 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000106888385 885190238 /nfs/dbraw/zinc/19/02/38/885190238.db2.gz GCEGGQOOWYFWSL-GOSISDBHSA-N 1 0 377.488 3.779 20 30 GHEDRO C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000556521173 885224228 /nfs/dbraw/zinc/22/42/28/885224228.db2.gz YMBCNASIPKICAA-XIKOKIGWSA-N 1 0 399.292 3.784 20 30 GHEDRO N#Cc1ccc(F)c(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000104060556 885260438 /nfs/dbraw/zinc/26/04/38/885260438.db2.gz GSMSTXYSSMOTFY-INIZCTEOSA-N 1 0 384.430 3.870 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000807467855 885461970 /nfs/dbraw/zinc/46/19/70/885461970.db2.gz IPNUWRVCQIAXJW-NRFANRHFSA-N 1 0 381.495 3.534 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762138850 885470661 /nfs/dbraw/zinc/47/06/61/885470661.db2.gz NEXMFLKWACRLCX-SFHVURJKSA-N 1 0 389.613 3.850 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)CC1 ZINC000747404455 885544501 /nfs/dbraw/zinc/54/45/01/885544501.db2.gz KWABFCWLLRVINB-UHFFFAOYSA-N 1 0 382.548 3.747 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc(OC)c1OC ZINC000807704618 885614411 /nfs/dbraw/zinc/61/44/11/885614411.db2.gz OWKYYKOFWJBBNK-IBGZPJMESA-N 1 0 386.467 3.604 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccco1 ZINC000807680910 885631552 /nfs/dbraw/zinc/63/15/52/885631552.db2.gz XPHKKPVGWSDOCC-YOEHRIQHSA-N 1 0 380.448 3.703 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000303580582 885635535 /nfs/dbraw/zinc/63/55/35/885635535.db2.gz DMNXKMXQAOSIFM-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000495415850 885715415 /nfs/dbraw/zinc/71/54/15/885715415.db2.gz USTLHIKLDFDPIJ-OAQYLSRUSA-N 1 0 392.503 3.771 20 30 GHEDRO C#CC[N@@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C1CCCCC1 ZINC000747452197 885998290 /nfs/dbraw/zinc/99/82/90/885998290.db2.gz CLZCXGNZSNHDQH-RTBURBONSA-N 1 0 383.536 3.507 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000915215926 886028267 /nfs/dbraw/zinc/02/82/67/886028267.db2.gz CZQJSXCMSGMUIQ-UXHICEINSA-N 1 0 382.467 3.931 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000286995996 913021363 /nfs/dbraw/zinc/02/13/63/913021363.db2.gz LDVYWWFYANGQEW-WCRBZPEASA-N 1 0 396.535 3.590 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)Cc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000805310982 886338806 /nfs/dbraw/zinc/33/88/06/886338806.db2.gz WPNMBQKPVDURJO-QHCPKHFHSA-N 1 0 393.531 3.749 20 30 GHEDRO CN1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000556884231 886451574 /nfs/dbraw/zinc/45/15/74/886451574.db2.gz HKFTXHDOWCFJGR-XZOQPEGZSA-N 1 0 396.485 3.840 20 30 GHEDRO COc1cccc([C@H](O)C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000862543109 886453506 /nfs/dbraw/zinc/45/35/06/886453506.db2.gz COZWQOXHUOYWJW-UZUQRXQVSA-N 1 0 380.488 3.932 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccco1 ZINC000556880339 886476581 /nfs/dbraw/zinc/47/65/81/886476581.db2.gz WLCQBJVJEBZZGW-MRXNPFEDSA-N 1 0 382.913 3.899 20 30 GHEDRO C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054454814 886671652 /nfs/dbraw/zinc/67/16/52/886671652.db2.gz XLDBHSBAOFYKRY-INIZCTEOSA-N 1 0 393.516 3.939 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc(OC)c1O ZINC000124137653 886709805 /nfs/dbraw/zinc/70/98/05/886709805.db2.gz GWTVYPSDHMYRFU-IBGZPJMESA-N 1 0 396.535 3.827 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OCC ZINC000057552328 886717237 /nfs/dbraw/zinc/71/72/37/886717237.db2.gz KNWOVTFOVQAUAW-IAGOWNOFSA-N 1 0 387.524 3.866 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc(C#N)cc1C ZINC000808828224 886832098 /nfs/dbraw/zinc/83/20/98/886832098.db2.gz IINAMDLVKPIAPQ-UHFFFAOYSA-N 1 0 393.487 3.926 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000171723191 887064982 /nfs/dbraw/zinc/06/49/82/887064982.db2.gz YQAFQDFBXDMZEJ-UHFFFAOYSA-N 1 0 386.927 3.582 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000863434779 887106341 /nfs/dbraw/zinc/10/63/41/887106341.db2.gz UURUIICJGTTXOJ-OAQYLSRUSA-N 1 0 379.479 3.610 20 30 GHEDRO CCCCCC(=O)NC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272347154 887144558 /nfs/dbraw/zinc/14/45/58/887144558.db2.gz ZTKKUPQCKSHJQC-UHFFFAOYSA-N 1 0 393.535 3.620 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000670214048 887150324 /nfs/dbraw/zinc/15/03/24/887150324.db2.gz GCAFXONZKGIYRL-UHFFFAOYSA-N 1 0 396.583 3.952 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000863549709 887207469 /nfs/dbraw/zinc/20/74/69/887207469.db2.gz PJUBYHDKRDBNOA-JOCHJYFZSA-N 1 0 388.467 3.667 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CC[NH+](C(C)C)CC1 ZINC000670220065 887282785 /nfs/dbraw/zinc/28/27/85/887282785.db2.gz IFTMTXGKQSNPEH-UHFFFAOYSA-N 1 0 383.540 3.526 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)[n+]1ccccc1 ZINC000763100656 887659527 /nfs/dbraw/zinc/65/95/27/887659527.db2.gz GRAICCVMQCUGAC-UHFFFAOYSA-O 1 0 394.520 3.581 20 30 GHEDRO C#C[C@H]([NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)C(C)C ZINC000809685194 887702664 /nfs/dbraw/zinc/70/26/64/887702664.db2.gz FITHGLOAFDIBGB-SFHVURJKSA-N 1 0 377.326 3.610 20 30 GHEDRO N#CCOc1cccc(CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000119996867 887704715 /nfs/dbraw/zinc/70/47/15/887704715.db2.gz CBZHDNYHOWJZLE-UHFFFAOYSA-N 1 0 391.515 3.824 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000032447319 887707918 /nfs/dbraw/zinc/70/79/18/887707918.db2.gz OMCSCSTWLZBYAA-NRFANRHFSA-N 1 0 394.515 3.827 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000810008467 888075073 /nfs/dbraw/zinc/07/50/73/888075073.db2.gz IBFDQJBWHHFSKJ-PMOQBDJRSA-N 1 0 390.531 3.665 20 30 GHEDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000794811069 888163187 /nfs/dbraw/zinc/16/31/87/888163187.db2.gz XXVADFUAMDUZFP-OAQYLSRUSA-N 1 0 384.863 3.559 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC001132088546 888218742 /nfs/dbraw/zinc/21/87/42/888218742.db2.gz YNPANASUPJYBET-XMSQKQJNSA-N 1 0 393.556 3.676 20 30 GHEDRO Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001275309419 913229438 /nfs/dbraw/zinc/22/94/38/913229438.db2.gz YCDWTHBOEPPVMP-QZTJIDSGSA-N 1 0 390.325 3.627 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000810225720 888302127 /nfs/dbraw/zinc/30/21/27/888302127.db2.gz KWNAZSZPJKWVFL-MOHKDSSBSA-N 1 0 397.425 3.809 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000763233652 888377023 /nfs/dbraw/zinc/37/70/23/888377023.db2.gz ZUTZBVKZDUFTQC-VWLOTQADSA-N 1 0 383.495 3.944 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000763232103 888377521 /nfs/dbraw/zinc/37/75/21/888377521.db2.gz QKZHUYLMBXWIBV-UXHICEINSA-N 1 0 387.886 3.811 20 30 GHEDRO CC(C)n1c(Sc2cc(C(F)(F)F)cc(C#N)n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000865543840 888428097 /nfs/dbraw/zinc/42/80/97/888428097.db2.gz BFEJEENZCVOMTC-NSHDSACASA-N 1 0 396.442 3.763 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000865655024 888500529 /nfs/dbraw/zinc/50/05/29/888500529.db2.gz YPGCQDLGLXQXTH-LJQANCHMSA-N 1 0 377.410 3.878 20 30 GHEDRO CC(C)(C)CC(=O)N1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000865694345 888519738 /nfs/dbraw/zinc/51/97/38/888519738.db2.gz CFJKLVRLKHWWAE-UHFFFAOYSA-N 1 0 382.552 3.544 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2c(C3CC3)nc3sccn23)CC1 ZINC000865696185 888520815 /nfs/dbraw/zinc/52/08/15/888520815.db2.gz XKWZEIUUECYBLQ-UHFFFAOYSA-N 1 0 377.517 3.903 20 30 GHEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000729685351 888552696 /nfs/dbraw/zinc/55/26/96/888552696.db2.gz LRGDATPKXYTBQV-UHFFFAOYSA-N 1 0 380.448 3.777 20 30 GHEDRO CN(c1ccccc1C=[NH+][N-]c1nc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC000915971237 888588275 /nfs/dbraw/zinc/58/82/75/888588275.db2.gz KMQKLYFXGDOSMT-UHFFFAOYSA-N 1 0 376.508 3.550 20 30 GHEDRO O=[N+]([O-])c1ccc(-c2ccc(C=NNCC[NH+]3CCCCC3)o2)c(Cl)c1 ZINC000915973389 888591763 /nfs/dbraw/zinc/59/17/63/888591763.db2.gz HEOXPDWKVUNAIY-UHFFFAOYSA-N 1 0 376.844 3.918 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1Cl ZINC000865815946 888592502 /nfs/dbraw/zinc/59/25/02/888592502.db2.gz SPBVLVDZQRVSII-UHFFFAOYSA-N 1 0 385.895 3.720 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000644423592 913267878 /nfs/dbraw/zinc/26/78/78/913267878.db2.gz APSDMVQMFRPBPF-ZWNOBZJWSA-N 1 0 375.284 3.702 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000747628551 888863385 /nfs/dbraw/zinc/86/33/85/888863385.db2.gz HRGGUGWPUKVWOJ-UHFFFAOYSA-N 1 0 399.494 3.928 20 30 GHEDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c1 ZINC000866445376 888881747 /nfs/dbraw/zinc/88/17/47/888881747.db2.gz JNTNXXLJPUYEDP-KRWDZBQOSA-N 1 0 392.503 3.543 20 30 GHEDRO CC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)c2ccccc2C1 ZINC000866449500 888882993 /nfs/dbraw/zinc/88/29/93/888882993.db2.gz WSBFRAGSKSUPHC-HSZRJFAPSA-N 1 0 388.515 3.610 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000747634056 888900625 /nfs/dbraw/zinc/90/06/25/888900625.db2.gz CIVVEJBFBYYQOG-UHFFFAOYSA-N 1 0 384.483 3.823 20 30 GHEDRO COc1ccc(C(C)=NNC(=S)NCCC(C)C)cc1C[NH+]1CCCC1 ZINC000916352740 888939848 /nfs/dbraw/zinc/93/98/48/888939848.db2.gz WLMNBIOPTFNWGA-UHFFFAOYSA-N 1 0 376.570 3.525 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)O[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000810852004 888959372 /nfs/dbraw/zinc/95/93/72/888959372.db2.gz VFBYBXXFZJONHZ-RBBKRZOGSA-N 1 0 376.456 3.921 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000916410963 888989383 /nfs/dbraw/zinc/98/93/83/888989383.db2.gz KKPRGNKYFNMDRI-UHFFFAOYSA-N 1 0 397.910 3.675 20 30 GHEDRO CC(=[NH+]NCc1ccccc1N(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000794955845 889056901 /nfs/dbraw/zinc/05/69/01/889056901.db2.gz FWVBEDDTRHRZHS-UHFFFAOYSA-N 1 0 386.927 3.756 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000454462276 889126490 /nfs/dbraw/zinc/12/64/90/889126490.db2.gz KPKGJSMWRYZYBZ-ONEGZZNKSA-N 1 0 392.341 3.802 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000121940459 889233952 /nfs/dbraw/zinc/23/39/52/889233952.db2.gz HEHSXAMKSOZLCL-UXHICEINSA-N 1 0 381.476 3.848 20 30 GHEDRO N#Cc1ccc([C@@H](O)CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000763413197 889240720 /nfs/dbraw/zinc/24/07/20/889240720.db2.gz HSKZPTFBYHPPGJ-ZEQRLZLVSA-N 1 0 375.516 3.580 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1 ZINC001132669519 889276125 /nfs/dbraw/zinc/27/61/25/889276125.db2.gz PLTKZVLGJVXPPY-UHFFFAOYSA-N 1 0 397.494 3.714 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1C ZINC000532988347 889472045 /nfs/dbraw/zinc/47/20/45/889472045.db2.gz KIVRGNCYZMULQP-KURKYZTESA-N 1 0 388.581 3.824 20 30 GHEDRO CC1(C)CN(C(=O)c2coc(C#N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000868645136 889540779 /nfs/dbraw/zinc/54/07/79/889540779.db2.gz UFACTUBBXIGISH-OAQYLSRUSA-N 1 0 377.488 3.914 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000124675992 889721375 /nfs/dbraw/zinc/72/13/75/889721375.db2.gz TUKCDDNCIUNIPQ-IBGZPJMESA-N 1 0 391.515 3.763 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC001184732893 913401056 /nfs/dbraw/zinc/40/10/56/913401056.db2.gz IMHRWSZZLPLJKN-YUXAGFNASA-N 1 0 389.503 3.718 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2ccc(C)o2)N2CCOCC2)c(O)c1 ZINC000017701061 889989681 /nfs/dbraw/zinc/98/96/81/889989681.db2.gz GDTZKWSGFQWRBP-KMUCBOENSA-N 1 0 385.508 3.632 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(Nc3ccc(C#N)c([N+](=O)[O-])c3)cc2)CC1 ZINC000811806642 889990154 /nfs/dbraw/zinc/99/01/54/889990154.db2.gz FFHCYMUMCAUUNF-UHFFFAOYSA-N 1 0 379.464 3.988 20 30 GHEDRO C=CC[N@H+](Cc1cnc(-c2ccccc2)nc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000533281516 890178218 /nfs/dbraw/zinc/17/82/18/890178218.db2.gz GOSHJYAWSULKGT-SFHVURJKSA-N 1 0 397.486 3.869 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000811992418 890179104 /nfs/dbraw/zinc/17/91/04/890179104.db2.gz HZMNZZDFSOSBNI-WOJBJXKFSA-N 1 0 385.895 3.625 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000533289594 890199480 /nfs/dbraw/zinc/19/94/80/890199480.db2.gz RLTKGEQLMNPQJI-SGIJDJSVSA-N 1 0 383.536 3.804 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)Cc1ccccc12 ZINC000870185166 890252177 /nfs/dbraw/zinc/25/21/77/890252177.db2.gz BCDFUZPVSDXYEG-FCHUYYIVSA-N 1 0 385.511 3.668 20 30 GHEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000812049953 890259596 /nfs/dbraw/zinc/25/95/96/890259596.db2.gz KIQUNHRQOSQDQR-ZVZYQTTQSA-N 1 0 381.442 3.751 20 30 GHEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000497221320 890337691 /nfs/dbraw/zinc/33/76/91/890337691.db2.gz MZCJASDFGMFUKC-MRXNPFEDSA-N 1 0 396.466 3.834 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3ccnc(CC#N)c3)c3nccc2-3)cc1 ZINC001170671365 890460583 /nfs/dbraw/zinc/46/05/83/890460583.db2.gz UHTIEOLLIKPMMS-OAHLLOKOSA-N 1 0 396.454 3.710 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc1Cl ZINC001184818224 913457499 /nfs/dbraw/zinc/45/74/99/913457499.db2.gz LNCPHVWWZAQFHC-AWEZNQCLSA-N 1 0 389.286 3.654 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533506226 890713224 /nfs/dbraw/zinc/71/32/24/890713224.db2.gz UTUSSLHESBJFMV-SJLPKXTDSA-N 1 0 398.482 3.644 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1OCC ZINC000644841708 913510879 /nfs/dbraw/zinc/51/08/79/913510879.db2.gz RWIVUCFTMPXIAB-WBVHZDCISA-N 1 0 395.341 3.549 20 30 GHEDRO N#Cc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c(F)c1Br ZINC001184936498 913514419 /nfs/dbraw/zinc/51/44/19/913514419.db2.gz GEACVTJMASPACF-UHFFFAOYSA-N 1 0 389.272 3.931 20 30 GHEDRO NC(=NOCc1nc(C(F)(F)F)cs1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000154277523 891077659 /nfs/dbraw/zinc/07/76/59/891077659.db2.gz WYBLHEDCSVWVKI-UHFFFAOYSA-N 1 0 398.454 3.985 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000812864946 891081633 /nfs/dbraw/zinc/08/16/33/891081633.db2.gz BTRJIWCENNSGFS-GCJKJVERSA-N 1 0 388.552 3.644 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c(-c2ccccc2)n1 ZINC000124013011 891221915 /nfs/dbraw/zinc/22/19/15/891221915.db2.gz ZBJVVWMVXUIWNP-IBGZPJMESA-N 1 0 382.414 3.565 20 30 GHEDRO CN(C)c1cc[nH+]c(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 ZINC001133575882 891259499 /nfs/dbraw/zinc/25/94/99/891259499.db2.gz BSSWJPVXGJLEGH-UHFFFAOYSA-N 1 0 386.455 3.528 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1=S ZINC000872724729 891315106 /nfs/dbraw/zinc/31/51/06/891315106.db2.gz LDMBNCNKGNSETC-RBUKOAKNSA-N 1 0 383.565 3.559 20 30 GHEDRO C=C(C)CN1CC2(CCC1=O)CCN(Cc1cncc(Br)c1)CC2 ZINC001275360235 913549378 /nfs/dbraw/zinc/54/93/78/913549378.db2.gz UYPFQMBBUVJGSN-UHFFFAOYSA-N 1 0 392.341 3.625 20 30 GHEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000497418030 891538311 /nfs/dbraw/zinc/53/83/11/891538311.db2.gz PNGDGGZSDMVTDH-FCHUYYIVSA-N 1 0 398.466 3.573 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000813786953 891974317 /nfs/dbraw/zinc/97/43/17/891974317.db2.gz UASWVCVEQKTOOC-FQEVSTJZSA-N 1 0 384.520 3.968 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1OC ZINC000814161604 892355634 /nfs/dbraw/zinc/35/56/34/892355634.db2.gz TYTLXSWTANQYIF-SXAWMYDMSA-N 1 0 384.520 3.606 20 30 GHEDRO Cc1c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)sc2nc(C)nc(C)c12 ZINC000814170926 892365994 /nfs/dbraw/zinc/36/59/94/892365994.db2.gz DXIGXNHRNZWJQU-INIZCTEOSA-N 1 0 379.489 3.537 20 30 GHEDRO C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000875051083 892429954 /nfs/dbraw/zinc/42/99/54/892429954.db2.gz YTYUCDDIBABVPB-RTWAWAEBSA-N 1 0 397.519 3.577 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C1CC[NH+](C)CC1 ZINC001134266473 892545500 /nfs/dbraw/zinc/54/55/00/892545500.db2.gz RUEAUYZJVBIVEH-UHFFFAOYSA-N 1 0 384.426 3.927 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1CCC(C#N)CC1 ZINC000282055904 892606147 /nfs/dbraw/zinc/60/61/47/892606147.db2.gz AQRDWQASCHURBC-QETWGEEDSA-N 1 0 382.552 3.870 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)C(F)(F)F)c1 ZINC000875756268 892789644 /nfs/dbraw/zinc/78/96/44/892789644.db2.gz OKXAYSVSJCKXAC-SFHVURJKSA-N 1 0 394.441 3.583 20 30 GHEDRO N#Cc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)ncc1Br ZINC001185171540 913700285 /nfs/dbraw/zinc/70/02/85/913700285.db2.gz XQEJRUAVANKWKA-UHFFFAOYSA-N 1 0 399.336 3.861 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)c1C#N ZINC000533758924 892837174 /nfs/dbraw/zinc/83/71/74/892837174.db2.gz MYNXUTSGRFXAKI-SFHVURJKSA-N 1 0 388.471 3.668 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271793416 892868701 /nfs/dbraw/zinc/86/87/01/892868701.db2.gz JQQDDHHSQSMBFN-PVPMGCCUSA-N 1 0 388.558 3.991 20 30 GHEDRO C=CCCOCC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272682596 892911320 /nfs/dbraw/zinc/91/13/20/892911320.db2.gz VTYVIYVJSRCASB-HXUWFJFHSA-N 1 0 377.481 3.501 20 30 GHEDRO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCC[C@@]4(C3)COCCN(c3cccc(C#N)c3)C4)C[C@@H]21 ZINC001170753092 892913716 /nfs/dbraw/zinc/91/37/16/892913716.db2.gz ZZLWTRXMCBERTO-YCSHWKNNSA-N 1 0 379.548 3.912 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)C(CC)CC)CC1 ZINC000778158922 892966875 /nfs/dbraw/zinc/96/68/75/892966875.db2.gz RSZBCPKHHWCSTC-UHFFFAOYSA-N 1 0 376.928 3.869 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1C ZINC000125817045 893025304 /nfs/dbraw/zinc/02/53/04/893025304.db2.gz OBRRHCMZCZZENN-IBGZPJMESA-N 1 0 379.504 3.819 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000814661693 893026395 /nfs/dbraw/zinc/02/63/95/893026395.db2.gz RTCQDZNERHBKNG-AWEZNQCLSA-N 1 0 398.488 3.646 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455705173 893061285 /nfs/dbraw/zinc/06/12/85/893061285.db2.gz OMUHWMKDZDDDTP-UHFFFAOYSA-N 1 0 395.894 3.873 20 30 GHEDRO C[C@](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)(C1CC1)C(F)(F)F ZINC000933597645 893093279 /nfs/dbraw/zinc/09/32/79/893093279.db2.gz QQFYVNILWYNPNS-IBGZPJMESA-N 1 0 394.441 3.507 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455763967 893229717 /nfs/dbraw/zinc/22/97/17/893229717.db2.gz PXFOBYCFKBMXFU-QGZVFWFLSA-N 1 0 398.898 3.520 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000876635113 893267189 /nfs/dbraw/zinc/26/71/89/893267189.db2.gz MLGHRCJUOFAOMR-LJQANCHMSA-N 1 0 397.906 3.617 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 ZINC000876669156 893282439 /nfs/dbraw/zinc/28/24/39/893282439.db2.gz CQIQPOPRFLFERC-HNNXBMFYSA-N 1 0 379.888 3.622 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccnc3c(C(=O)OC)cccc23)c1 ZINC000877046582 893456722 /nfs/dbraw/zinc/45/67/22/893456722.db2.gz QLUSESXYOKBNCW-SFHVURJKSA-N 1 0 389.455 3.992 20 30 GHEDRO CC(C)OCC[NH+]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000536658810 893461833 /nfs/dbraw/zinc/46/18/33/893461833.db2.gz MZHPBABVCYXKSK-UHFFFAOYSA-N 1 0 393.531 3.680 20 30 GHEDRO N#Cc1cc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cnc1C(F)(F)F ZINC000815137371 893510996 /nfs/dbraw/zinc/51/09/96/893510996.db2.gz RZYMFWPSIYJXBN-UHFFFAOYSA-N 1 0 394.441 3.747 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC001137116380 893516267 /nfs/dbraw/zinc/51/62/67/893516267.db2.gz BVAHAOJYWRDUOE-GGAORHGYSA-N 1 0 377.488 3.803 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272807 893549185 /nfs/dbraw/zinc/54/91/85/893549185.db2.gz ARBJIYFJGGVFAZ-OLZOCXBDSA-N 1 0 398.322 3.943 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)COc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000918393015 893628404 /nfs/dbraw/zinc/62/84/04/893628404.db2.gz VLJFTRTXUCNFQZ-QFIPXVFZSA-N 1 0 377.488 3.526 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(OCC#N)cc2)C2CC2)C1 ZINC001137122742 893701297 /nfs/dbraw/zinc/70/12/97/893701297.db2.gz QAFVMNUWBIUWRJ-LJQANCHMSA-N 1 0 385.508 3.953 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877757614 893795786 /nfs/dbraw/zinc/79/57/86/893795786.db2.gz OTFNFVGJAUYXPP-IAGOWNOFSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@H]1C(F)(F)F ZINC000877816015 893823675 /nfs/dbraw/zinc/82/36/75/893823675.db2.gz AZUUBLRCILXIAJ-ZIAGYGMSSA-N 1 0 377.451 3.951 20 30 GHEDRO CC(C)(CC1CCOCC1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001185328378 913816421 /nfs/dbraw/zinc/81/64/21/913816421.db2.gz JQGBXTVHBIYYSE-UHFFFAOYSA-N 1 0 383.536 3.504 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)CCCc2cccnc2)c1C ZINC000459635103 893944126 /nfs/dbraw/zinc/94/41/26/893944126.db2.gz GGDZFEZMGLPDHM-IBGZPJMESA-N 1 0 378.520 3.946 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878053293 893984277 /nfs/dbraw/zinc/98/42/77/893984277.db2.gz DTYPNFUZTDQMHW-XXBNENTESA-N 1 0 399.535 3.616 20 30 GHEDRO COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455840273 894003149 /nfs/dbraw/zinc/00/31/49/894003149.db2.gz DEVQZKJAACFWKE-FQEVSTJZSA-N 1 0 394.475 3.776 20 30 GHEDRO CCOc1cc(C[NH2+]CC(C)(C)CC#N)ccc1OCC(=O)N1CCCCC1 ZINC000459695206 894087259 /nfs/dbraw/zinc/08/72/59/894087259.db2.gz OQKFHJSAHKAOOZ-UHFFFAOYSA-N 1 0 387.524 3.506 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459810810 894197732 /nfs/dbraw/zinc/19/77/32/894197732.db2.gz UMNZXOKDWWQMBM-FFZOFVMBSA-N 1 0 376.566 3.524 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691031 894281096 /nfs/dbraw/zinc/28/10/96/894281096.db2.gz HVQBEHLNEJKICG-HXUWFJFHSA-O 1 0 397.564 3.861 20 30 GHEDRO N#CC1(NC(=O)c2ccc3scnc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000935271760 894320169 /nfs/dbraw/zinc/32/01/69/894320169.db2.gz ZTSCZDHLQISZLG-UHFFFAOYSA-N 1 0 376.485 3.584 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001135455069 894615141 /nfs/dbraw/zinc/61/51/41/894615141.db2.gz YVXDZASWHKDZGY-UHFFFAOYSA-N 1 0 375.463 3.955 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000879135743 894857174 /nfs/dbraw/zinc/85/71/74/894857174.db2.gz DQMRVBLMNLLAFF-GOSISDBHSA-N 1 0 392.503 3.763 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)cc1OCCCC#N ZINC000897579450 895113818 /nfs/dbraw/zinc/11/38/18/895113818.db2.gz WSELVZNPHUKHOD-KRWDZBQOSA-N 1 0 384.480 3.524 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000879666309 895214973 /nfs/dbraw/zinc/21/49/73/895214973.db2.gz AUCOWBFTYKNBKL-QZTJIDSGSA-N 1 0 395.425 3.819 20 30 GHEDRO CC1(C#N)CCC([NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC000564775280 895239800 /nfs/dbraw/zinc/23/98/00/895239800.db2.gz CZUKEXNLSNABSA-UHFFFAOYSA-N 1 0 380.492 3.618 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000564962184 895328286 /nfs/dbraw/zinc/32/82/86/895328286.db2.gz CVTDBNXVXQSMHV-HZPDHXFCSA-N 1 0 385.478 3.660 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](CCCC2(C#N)CCOCC2)C2(CCC2)CC1 ZINC000880349788 895650580 /nfs/dbraw/zinc/65/05/80/895650580.db2.gz NDLAGEBKPCLJFU-UHFFFAOYSA-N 1 0 391.556 3.952 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(C#N)c(F)cc2F)C1 ZINC000880715929 895827355 /nfs/dbraw/zinc/82/73/55/895827355.db2.gz JCPWLGDXHMBAJB-CABCVRRESA-N 1 0 376.451 3.955 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000565886041 895959009 /nfs/dbraw/zinc/95/90/09/895959009.db2.gz GIGANZLVWBPOIB-UHFFFAOYSA-N 1 0 397.544 3.656 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)c1 ZINC000817919879 895960898 /nfs/dbraw/zinc/96/08/98/895960898.db2.gz WDFGLXLRDDJCIJ-OIBXWCBGSA-N 1 0 379.504 3.959 20 30 GHEDRO N#CCC[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000566026581 896054282 /nfs/dbraw/zinc/05/42/82/896054282.db2.gz XFGKIAVTEAYRHT-PKOBYXMFSA-N 1 0 389.293 3.823 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881154480 896202801 /nfs/dbraw/zinc/20/28/01/896202801.db2.gz VHZDPAMYGPZWLR-UHFFFAOYSA-N 1 0 377.492 3.524 20 30 GHEDRO C=C(Br)C[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000818978939 896298670 /nfs/dbraw/zinc/29/86/70/896298670.db2.gz CTFJEGMERRRNQE-ICSRJNTNSA-N 1 0 390.321 3.960 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000566499186 896341508 /nfs/dbraw/zinc/34/15/08/896341508.db2.gz WLZKLDUFZSFWGE-FYYLOGMGSA-N 1 0 396.556 3.890 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]CCC(=O)Nc2cccc(F)c2)ccc1OC ZINC000819066480 896382747 /nfs/dbraw/zinc/38/27/47/896382747.db2.gz BEZNCRCTAXJYEP-SFHVURJKSA-N 1 0 385.439 3.634 20 30 GHEDRO C=CC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccncc1 ZINC000819074604 896388240 /nfs/dbraw/zinc/38/82/40/896388240.db2.gz SEFIWALWCKVQPN-AEFFLSMTSA-N 1 0 395.272 3.630 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC000566593356 896400086 /nfs/dbraw/zinc/40/00/86/896400086.db2.gz JAYRSXXUALGGRT-FQEVSTJZSA-N 1 0 377.488 3.850 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000819124427 896423917 /nfs/dbraw/zinc/42/39/17/896423917.db2.gz VFVJDKBIWJFFCJ-KBPBESRZSA-N 1 0 385.986 3.582 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000819211472 896502862 /nfs/dbraw/zinc/50/28/62/896502862.db2.gz BTHUOCGZWSSDAJ-HNAYVOBHSA-N 1 0 376.287 3.767 20 30 GHEDRO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+]Cc1ccc(C#N)cn1)c1ccccc1 ZINC000819314301 896607107 /nfs/dbraw/zinc/60/71/07/896607107.db2.gz WVTVTRJAGUWJNV-UPVQGACJSA-N 1 0 387.483 3.518 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819316352 896608373 /nfs/dbraw/zinc/60/83/73/896608373.db2.gz GWYINOZPLSIADB-QWFCFKBJSA-N 1 0 387.524 3.512 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000819376328 896650204 /nfs/dbraw/zinc/65/02/04/896650204.db2.gz AAKSJMJWECXEBN-NFBKMPQASA-N 1 0 399.535 3.677 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000566892169 896673769 /nfs/dbraw/zinc/67/37/69/896673769.db2.gz FSEZGKBYGYVESX-DOTOQJQBSA-N 1 0 394.441 3.691 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000566892170 896673824 /nfs/dbraw/zinc/67/38/24/896673824.db2.gz FSEZGKBYGYVESX-NVXWUHKLSA-N 1 0 394.441 3.691 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000567689376 897340056 /nfs/dbraw/zinc/34/00/56/897340056.db2.gz JCPVCAPDUGGHDF-RDPSFJRHSA-N 1 0 394.559 3.970 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)c1ccc(F)cc1 ZINC000820491589 897358835 /nfs/dbraw/zinc/35/88/35/897358835.db2.gz YELWPIXWPMOFGF-QGZVFWFLSA-N 1 0 387.421 3.806 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883377829 897544134 /nfs/dbraw/zinc/54/41/34/897544134.db2.gz RIQUPVNBCVATKD-BFHRDPOASA-N 1 0 376.298 3.764 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)ccc1OC ZINC000132486447 897806079 /nfs/dbraw/zinc/80/60/79/897806079.db2.gz ARLRSNAXHWYSLO-LJQANCHMSA-N 1 0 380.492 3.661 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccc(OCC(F)(F)F)c2)cc1OC ZINC000104163183 898129348 /nfs/dbraw/zinc/12/93/48/898129348.db2.gz PTQXTBZFUBZBQB-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001202611228 898269185 /nfs/dbraw/zinc/26/91/85/898269185.db2.gz HDCOSVSDPWIGRE-UHFFFAOYSA-N 1 0 376.909 3.782 20 30 GHEDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000107894363 898358742 /nfs/dbraw/zinc/35/87/42/898358742.db2.gz BVEYIQPWZCIKGV-LJQANCHMSA-N 1 0 379.529 3.922 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001136589552 898441333 /nfs/dbraw/zinc/44/13/33/898441333.db2.gz PTXBNDBGUJYSRP-LJQANCHMSA-N 1 0 381.451 3.818 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289604575 914260704 /nfs/dbraw/zinc/26/07/04/914260704.db2.gz ACVXSNHXJRTJHR-VQIMIIECSA-N 1 0 391.475 3.836 20 30 GHEDRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884049434 898653727 /nfs/dbraw/zinc/65/37/27/898653727.db2.gz QUQMYBAUYFTXPE-HZEYSBKDSA-N 1 0 381.398 3.572 20 30 GHEDRO N#C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000569472118 898695679 /nfs/dbraw/zinc/69/56/79/898695679.db2.gz WTIMCOLMIAJURG-IAGOWNOFSA-N 1 0 397.466 3.604 20 30 GHEDRO CCCCCOc1ccc([C@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1OC ZINC000884080741 898809057 /nfs/dbraw/zinc/80/90/57/898809057.db2.gz DUASZWMQUSNTNW-DGLPSNNLSA-N 1 0 399.535 3.581 20 30 GHEDRO Cc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c(OCc2ccccc2)c1 ZINC000884085636 898825772 /nfs/dbraw/zinc/82/57/72/898825772.db2.gz ZRJVFMKEKYVKNT-FVRICEFQSA-N 1 0 375.472 3.652 20 30 GHEDRO CC(C)(C)c1ccc([C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C(F)(F)F)cc1 ZINC000884088278 898837668 /nfs/dbraw/zinc/83/76/68/898837668.db2.gz FFKOTROVXYNTCA-UINJJDOFSA-N 1 0 393.453 3.843 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)C2 ZINC000884095764 898856963 /nfs/dbraw/zinc/85/69/63/898856963.db2.gz YYBAROPPRXDNIZ-HQXCXSBDSA-N 1 0 397.881 3.824 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc(OC)c1OC ZINC000303093449 914295618 /nfs/dbraw/zinc/29/56/18/914295618.db2.gz DXTAGULDCFXLGV-LJQANCHMSA-N 1 0 398.503 3.901 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884127841 898998465 /nfs/dbraw/zinc/99/84/65/898998465.db2.gz OKACQUZOALYHHK-DFQPDREJSA-N 1 0 398.507 3.574 20 30 GHEDRO Cc1ccc(Oc2ccccc2CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884129023 899001567 /nfs/dbraw/zinc/00/15/67/899001567.db2.gz VLAACIQFXZCETO-FVRICEFQSA-N 1 0 375.472 3.543 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1 ZINC000331625321 899034508 /nfs/dbraw/zinc/03/45/08/899034508.db2.gz RRIVSJLBVSGPRH-FJTGNWTPSA-N 1 0 397.563 3.812 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCSCc2ccccc2C#N)C1 ZINC000823602418 899125621 /nfs/dbraw/zinc/12/56/21/899125621.db2.gz MQMXBXMZPBJVEH-RXVVDRJESA-N 1 0 387.549 3.638 20 30 GHEDRO N#Cc1cc(N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)ncn1 ZINC000570270291 899233390 /nfs/dbraw/zinc/23/33/90/899233390.db2.gz PAJPFYWJFJVXMG-UHFFFAOYSA-N 1 0 376.291 3.757 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(C(F)(F)F)cc1 ZINC000570353252 899276200 /nfs/dbraw/zinc/27/62/00/899276200.db2.gz YFRRXWLGBNBWGX-KOHRHEQBSA-N 1 0 395.425 3.823 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(Oc3ccc(Cl)cn3)cc1)C2 ZINC000884202092 899337894 /nfs/dbraw/zinc/33/78/94/899337894.db2.gz PMDVNQZATUOJIB-DMAKZNTKSA-N 1 0 382.851 3.605 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1Cl ZINC000570590051 899413690 /nfs/dbraw/zinc/41/36/90/899413690.db2.gz GHAGENLVHKJLNO-SVFBPWRDSA-N 1 0 395.890 3.655 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884226370 899426771 /nfs/dbraw/zinc/42/67/71/899426771.db2.gz QSFPWONAAYVTIW-CZIOWTDHSA-N 1 0 394.544 3.777 20 30 GHEDRO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824626434 899746022 /nfs/dbraw/zinc/74/60/22/899746022.db2.gz OIENWDFDJCWYQY-HNNXBMFYSA-N 1 0 381.443 3.651 20 30 GHEDRO O=C(c1cc2ccccc2o1)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134216406 899786319 /nfs/dbraw/zinc/78/63/19/899786319.db2.gz RTFVCTOHVXYKKV-QGZVFWFLSA-O 1 0 395.504 3.818 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4c[nH]c5cccc(F)c45)C3)CC2=O)c1 ZINC001136982768 899955168 /nfs/dbraw/zinc/95/51/68/899955168.db2.gz GXPLMIHDPSCTQV-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000333109156 899968960 /nfs/dbraw/zinc/96/89/60/899968960.db2.gz GCFJOIBUPQVZSE-WMLDXEAASA-N 1 0 380.414 3.963 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1 ZINC000825118972 899991315 /nfs/dbraw/zinc/99/13/15/899991315.db2.gz ZWUIALNJADAPJE-NJDAHSKKSA-N 1 0 381.524 3.520 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCC1(C)C ZINC000333204331 900034132 /nfs/dbraw/zinc/03/41/32/900034132.db2.gz OIMLDOKJQMAYMA-AQNXPRMDSA-N 1 0 377.573 3.531 20 30 GHEDRO CCc1cccc2c(C3CCN(C(=O)C4CC5(C4)C[NH2+]C[C@@H]5C#N)CC3)c[nH]c21 ZINC000884427309 900072931 /nfs/dbraw/zinc/07/29/31/900072931.db2.gz QSFXYKPVFFBWMJ-SZTYLXMGSA-N 1 0 390.531 3.576 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)CC2)c1 ZINC001171082839 900115111 /nfs/dbraw/zinc/11/51/11/900115111.db2.gz OTISXLJQHPFDBX-KRWDZBQOSA-N 1 0 387.314 3.940 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000135318840 900221389 /nfs/dbraw/zinc/22/13/89/900221389.db2.gz LWFJPKBXJGQEGB-LPHOPBHVSA-N 1 0 396.466 3.903 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000135333663 900226216 /nfs/dbraw/zinc/22/62/16/900226216.db2.gz XCHAJHLWYQXRFX-MRXNPFEDSA-N 1 0 388.468 3.748 20 30 GHEDRO N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)cc1 ZINC000844030215 900433737 /nfs/dbraw/zinc/43/37/37/900433737.db2.gz ZUOGGHHRTSZXDX-OAQYLSRUSA-N 1 0 395.528 3.808 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC)c(OC(F)(F)F)c3)C2)C1=O ZINC001143871302 900651056 /nfs/dbraw/zinc/65/10/56/900651056.db2.gz YILRCVVYGGDFNS-IBGZPJMESA-N 1 0 398.425 3.594 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000844354471 900757004 /nfs/dbraw/zinc/75/70/04/900757004.db2.gz KHDUBTOYOSYIBO-KSZLIROESA-N 1 0 379.545 3.711 20 30 GHEDRO COc1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)ccc1C#N ZINC000886346516 900944931 /nfs/dbraw/zinc/94/49/31/900944931.db2.gz JZDJOHZRZUFFPV-INIZCTEOSA-N 1 0 395.450 3.549 20 30 GHEDRO C[C@]1(NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000844564270 901039455 /nfs/dbraw/zinc/03/94/55/901039455.db2.gz RIRIESWEAXCGIU-NRFANRHFSA-N 1 0 382.439 3.514 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000067319188 901051607 /nfs/dbraw/zinc/05/16/07/901051607.db2.gz LTLAGGSQVLDWRN-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO CCOc1cccc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000844597407 901062881 /nfs/dbraw/zinc/06/28/81/901062881.db2.gz WIAHNFMFSQLRLD-UHFFFAOYSA-N 1 0 394.544 3.908 20 30 GHEDRO N#Cc1ccc(CN2CC[NH+](CCc3cccs3)CC2)c(C(F)(F)F)c1 ZINC000575035187 901098698 /nfs/dbraw/zinc/09/86/98/901098698.db2.gz TXIFWZKKCWRDEB-UHFFFAOYSA-N 1 0 379.451 3.999 20 30 GHEDRO C=CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)cc1OC ZINC000575095404 901118768 /nfs/dbraw/zinc/11/87/68/901118768.db2.gz IHQWDHLWZJCSDF-DVECYGJZSA-N 1 0 397.515 3.802 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1OCCCC#N ZINC000072049927 901180211 /nfs/dbraw/zinc/18/02/11/901180211.db2.gz GCLDARDCAYAMDF-QGZVFWFLSA-N 1 0 391.475 3.809 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000844716537 901193868 /nfs/dbraw/zinc/19/38/68/901193868.db2.gz HLZUBZXKBUKAJI-QFIPXVFZSA-N 1 0 375.451 3.885 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290080575 914513954 /nfs/dbraw/zinc/51/39/54/914513954.db2.gz GYMPMQYPNARRKY-OAQYLSRUSA-N 1 0 395.890 3.834 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000886930359 901332446 /nfs/dbraw/zinc/33/24/46/901332446.db2.gz ZZTHHCUOKGDITK-QFIPXVFZSA-N 1 0 391.475 3.743 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000575883008 901425101 /nfs/dbraw/zinc/42/51/01/901425101.db2.gz FWQCGTDGDSYGJW-ACJLOTCBSA-N 1 0 399.292 3.562 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2ccccc2Sc2ccccc2)CCOCC1 ZINC000887124708 901446970 /nfs/dbraw/zinc/44/69/70/901446970.db2.gz PSHWMCKKEGTNTJ-UHFFFAOYSA-N 1 0 380.513 3.938 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1)CC(F)(F)F ZINC000093771116 901564014 /nfs/dbraw/zinc/56/40/14/901564014.db2.gz ODPVAIBZDWPNII-GOSISDBHSA-N 1 0 382.474 3.743 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Cl)nc3Cl)CC2)c1 ZINC000845006409 901637905 /nfs/dbraw/zinc/63/79/05/901637905.db2.gz FTWLDHCYMVDYSW-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO C=CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccncc1 ZINC000844988950 901658116 /nfs/dbraw/zinc/65/81/16/901658116.db2.gz QFBIYDLELDJDGN-JOCHJYFZSA-N 1 0 389.503 3.534 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000122776052 901846876 /nfs/dbraw/zinc/84/68/76/901846876.db2.gz SGNFWRWQEJKFJE-LAUBAEHRSA-N 1 0 377.488 3.692 20 30 GHEDRO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(C#N)c1C ZINC000333383424 902052892 /nfs/dbraw/zinc/05/28/92/902052892.db2.gz BFXLABRFMAQRNX-JQHSSLGASA-N 1 0 375.538 3.581 20 30 GHEDRO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(C#N)c1C ZINC000333383409 902053345 /nfs/dbraw/zinc/05/33/45/902053345.db2.gz BFXLABRFMAQRNX-CGTJXYLNSA-N 1 0 375.538 3.581 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)NC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001144405393 902063409 /nfs/dbraw/zinc/06/34/09/902063409.db2.gz OYEGTFWNKJEREA-UHFFFAOYSA-N 1 0 378.516 3.617 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001171186702 902196004 /nfs/dbraw/zinc/19/60/04/902196004.db2.gz YOHXNCHUEJHIAD-CRAIPNDOSA-N 1 0 393.478 3.971 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC(C#N)CC2)CC1 ZINC000333657349 902251337 /nfs/dbraw/zinc/25/13/37/902251337.db2.gz LMUIMAHLNREUHW-UHFFFAOYSA-N 1 0 376.888 3.580 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000576796849 902269442 /nfs/dbraw/zinc/26/94/42/902269442.db2.gz HRZPZKPYBVWNGB-FKBYEOEOSA-N 1 0 385.552 3.569 20 30 GHEDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)c(Br)c1 ZINC001171195338 902284813 /nfs/dbraw/zinc/28/48/13/902284813.db2.gz RPGWQSQDSVIMGU-CYBMUJFWSA-N 1 0 387.277 3.828 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(F)c1 ZINC001144520664 902298236 /nfs/dbraw/zinc/29/82/36/902298236.db2.gz YCFXSSVXKUCCLH-FQEVSTJZSA-N 1 0 377.463 3.616 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)cc1 ZINC001144572254 902403680 /nfs/dbraw/zinc/40/36/80/902403680.db2.gz VQWNTIFJORPSER-RPBOFIJWSA-N 1 0 390.527 3.959 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)cc1 ZINC001144572251 902403822 /nfs/dbraw/zinc/40/38/22/902403822.db2.gz VQWNTIFJORPSER-DQEYMECFSA-N 1 0 390.527 3.959 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](CCc3c(Cl)nc(C)nc3Cl)CC2)C1=O ZINC001275536331 914621784 /nfs/dbraw/zinc/62/17/84/914621784.db2.gz JYDIZEFMWGPTOT-UHFFFAOYSA-N 1 0 397.350 3.525 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN(C)C[C@@H]3CCCOC3)c(=S)o2)cc1 ZINC000159027790 902463727 /nfs/dbraw/zinc/46/37/27/902463727.db2.gz ODLAYCCVBUHMRS-HNNXBMFYSA-N 1 0 375.494 3.753 20 30 GHEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000159105513 902572075 /nfs/dbraw/zinc/57/20/75/902572075.db2.gz VZONEMMARBBNAR-LXIYXOSZSA-N 1 0 375.394 3.885 20 30 GHEDRO CC(C)(C)OC(=O)NCC1(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000846052130 902639192 /nfs/dbraw/zinc/63/91/92/902639192.db2.gz BDJWUGBEXMCLTG-UHFFFAOYSA-N 1 0 398.551 3.812 20 30 GHEDRO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000846055080 902642256 /nfs/dbraw/zinc/64/22/56/902642256.db2.gz GFGPCVHYBYQOLV-UTKZUKDTSA-N 1 0 393.535 3.998 20 30 GHEDRO CC1(C)OCc2cc(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)ccc2O1 ZINC000846113901 902690317 /nfs/dbraw/zinc/69/03/17/902690317.db2.gz CBGVECOSCBQFBD-UHFFFAOYSA-N 1 0 391.515 3.958 20 30 GHEDRO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)Cc2cnn(CC3CC3)c21 ZINC001171215654 902750271 /nfs/dbraw/zinc/75/02/71/902750271.db2.gz CJDPJWANUKPJJO-HTAPYJJXSA-N 1 0 378.520 3.732 20 30 GHEDRO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171217808 902770206 /nfs/dbraw/zinc/77/02/06/902770206.db2.gz RJHLGRATJPYFKJ-WWGKXEARSA-N 1 0 397.544 3.703 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(COCc3ccccc3)c2)CCOCC1 ZINC000600720447 902843662 /nfs/dbraw/zinc/84/36/62/902843662.db2.gz YLHNFQYXEPEJPG-HSZRJFAPSA-N 1 0 394.515 3.564 20 30 GHEDRO CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000600724006 902846398 /nfs/dbraw/zinc/84/63/98/902846398.db2.gz RSJKKWVFISJTOF-HNNXBMFYSA-N 1 0 385.335 3.932 20 30 GHEDRO Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c(O[C@@H](C)CC(C)C)c1 ZINC000600728709 902850140 /nfs/dbraw/zinc/85/01/40/902850140.db2.gz BHKNRBOKKNHKOT-FPOVZHCZSA-N 1 0 388.552 3.969 20 30 GHEDRO COC(=O)c1ccc(OC2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171221077 902881963 /nfs/dbraw/zinc/88/19/63/902881963.db2.gz IACUQTBOCCISKL-QGZVFWFLSA-N 1 0 378.472 3.819 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000130351784 902944236 /nfs/dbraw/zinc/94/42/36/902944236.db2.gz SIKSLNCXXXWQBR-CYBMUJFWSA-N 1 0 375.444 3.540 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)n1ccc2c1ncnc2N(C)[C@H]1C[NH2+]CC[C@H]1C ZINC001171229437 903037478 /nfs/dbraw/zinc/03/74/78/903037478.db2.gz NLWAJVRJRNWEHE-LZJOCLMNSA-N 1 0 388.519 3.541 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000772949175 903140407 /nfs/dbraw/zinc/14/04/07/903140407.db2.gz PSTAQRDFAXEXEH-DYESRHJHSA-N 1 0 382.504 3.669 20 30 GHEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000132073380 903203157 /nfs/dbraw/zinc/20/31/57/903203157.db2.gz MOBIVPDFXKFGNF-FQEVSTJZSA-N 1 0 397.544 3.670 20 30 GHEDRO C[C@@H](CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000577969957 903399466 /nfs/dbraw/zinc/39/94/66/903399466.db2.gz GIZLHCOZTJLLQB-KRWDZBQOSA-N 1 0 379.479 3.756 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CCC2)cc1 ZINC000847055027 903445990 /nfs/dbraw/zinc/44/59/90/903445990.db2.gz WODVRLKMZKOTCG-UHFFFAOYSA-N 1 0 384.823 3.727 20 30 GHEDRO CC(C)(C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc(F)cc(C#N)c1 ZINC000578016634 903446319 /nfs/dbraw/zinc/44/63/19/903446319.db2.gz FOUIBELZJAVXGV-UHFFFAOYSA-N 1 0 395.478 3.570 20 30 GHEDRO CCOC(=O)c1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC001171276594 903519373 /nfs/dbraw/zinc/51/93/73/903519373.db2.gz CKJSLABHFVGZSG-UHFFFAOYSA-N 1 0 388.471 3.705 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1CCc3c(Cl)ccc(OC)c3C1)C2 ZINC001171291967 903637659 /nfs/dbraw/zinc/63/76/59/903637659.db2.gz HILVWJWMKLEMJA-IRXDYDNUSA-N 1 0 398.934 3.701 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1cc(C)c(O)c(C)c1 ZINC000303386714 914740600 /nfs/dbraw/zinc/74/06/00/914740600.db2.gz WMOMBXOETVWHKB-UHFFFAOYSA-N 1 0 399.535 3.680 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000578388649 903794743 /nfs/dbraw/zinc/79/47/43/903794743.db2.gz KVYVGNTUXUZPJH-SFHVURJKSA-N 1 0 399.510 3.722 20 30 GHEDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000251777027 914756487 /nfs/dbraw/zinc/75/64/87/914756487.db2.gz LEZVQVHWISUITO-WMLDXEAASA-N 1 0 375.538 3.574 20 30 GHEDRO O=C(c1ccc2c(c1)COC2)C(C(=S)NC(C1CC1)C1CC1)[n+]1ccccc1 ZINC000265400532 903866308 /nfs/dbraw/zinc/86/63/08/903866308.db2.gz XYOGUICTNIIUGV-UHFFFAOYSA-O 1 0 393.532 3.721 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1OC(F)F ZINC000578494236 903904284 /nfs/dbraw/zinc/90/42/84/903904284.db2.gz JOUCFAFHMRAYRS-UHFFFAOYSA-N 1 0 389.446 3.732 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147973393 903923367 /nfs/dbraw/zinc/92/33/67/903923367.db2.gz MKIWHCCJWZUSFQ-UHFFFAOYSA-N 1 0 388.393 3.863 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(Br)cc2C#N)cc1F ZINC001148335127 904043986 /nfs/dbraw/zinc/04/39/86/904043986.db2.gz SWYVDLOTCFHZLZ-UHFFFAOYSA-N 1 0 376.229 3.774 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000303410454 914776293 /nfs/dbraw/zinc/77/62/93/914776293.db2.gz WFARCJWUPHTFFK-UHFFFAOYSA-N 1 0 391.437 3.893 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC001148519236 904090397 /nfs/dbraw/zinc/09/03/97/904090397.db2.gz ARXSWQATICTYQW-QGZVFWFLSA-N 1 0 398.304 3.667 20 30 GHEDRO COCC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(Cl)c(Cl)c1 ZINC000578749985 904099112 /nfs/dbraw/zinc/09/91/12/904099112.db2.gz WCSFHZBCOIXKET-QGZVFWFLSA-N 1 0 390.274 3.775 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1OCCCC#N ZINC000151421884 904129553 /nfs/dbraw/zinc/12/95/53/904129553.db2.gz WEDAIGMNQWKBHN-YLJYHZDGSA-N 1 0 376.522 3.522 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)CC1 ZINC001148997792 904263597 /nfs/dbraw/zinc/26/35/97/904263597.db2.gz CGAFNSICDGNETO-UHFFFAOYSA-N 1 0 380.517 3.503 20 30 GHEDRO CC[NH+]1CCC(N2CCCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000578977045 904272322 /nfs/dbraw/zinc/27/23/22/904272322.db2.gz XBCPZFDNLFSKHA-UHFFFAOYSA-N 1 0 397.567 3.512 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(CC#N)cc2)[C@H]1c1cccs1 ZINC000579105900 904354008 /nfs/dbraw/zinc/35/40/08/904354008.db2.gz KFYNEDSFXYDJDE-ICSRJNTNSA-N 1 0 382.533 3.696 20 30 GHEDRO COc1cccc(C2([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CCOCC2)c1F ZINC000775049324 914807062 /nfs/dbraw/zinc/80/70/62/914807062.db2.gz YLVNYQGHGWJWEO-MRXNPFEDSA-N 1 0 384.451 3.921 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000579305326 904498783 /nfs/dbraw/zinc/49/87/83/904498783.db2.gz JOAIAABQLYHSOI-IBGZPJMESA-N 1 0 391.450 3.536 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H](N3CCC[N@H+](CC4CCCCC4)CC3)C2=O)cc1 ZINC000579313829 904506043 /nfs/dbraw/zinc/50/60/43/904506043.db2.gz NWDNRBXRVHTIEP-HSZRJFAPSA-N 1 0 394.563 3.642 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000104169874 904546384 /nfs/dbraw/zinc/54/63/84/904546384.db2.gz RRVTZZCBYBNNIW-UHFFFAOYSA-N 1 0 393.579 3.580 20 30 GHEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000579456905 904622367 /nfs/dbraw/zinc/62/23/67/904622367.db2.gz QZQMXHZIEPSXNJ-QFIPXVFZSA-N 1 0 377.488 3.951 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000779148210 904668868 /nfs/dbraw/zinc/66/88/68/904668868.db2.gz ZGBDUAUGWYVCBD-INIZCTEOSA-N 1 0 380.879 3.774 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000579627328 904753211 /nfs/dbraw/zinc/75/32/11/904753211.db2.gz VSAGYGGWEHTAIH-VFNWGFHPSA-N 1 0 383.517 3.537 20 30 GHEDRO COC(=O)C1(Nc2ccc3c(C#N)c[nH]c3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171506576 904781891 /nfs/dbraw/zinc/78/18/91/904781891.db2.gz CWTJPKKLFGUJDN-UHFFFAOYSA-N 1 0 388.471 3.659 20 30 GHEDRO C[NH+]1CCC(C#N)(N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)CC1 ZINC001172057668 905258483 /nfs/dbraw/zinc/25/84/83/905258483.db2.gz QQHIDAXCNHUEKV-SFHVURJKSA-N 1 0 390.572 3.666 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000174524056 905289377 /nfs/dbraw/zinc/28/93/77/905289377.db2.gz NIMQAZAIYWKMSA-GOSISDBHSA-N 1 0 393.487 3.678 20 30 GHEDRO N#CC1(c2ccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2)CC1 ZINC000365759335 921139501 /nfs/dbraw/zinc/13/95/01/921139501.db2.gz JPLMAEWKTXSKAB-FCHUYYIVSA-N 1 0 385.511 3.836 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000627016746 905367536 /nfs/dbraw/zinc/36/75/36/905367536.db2.gz PGTVARGIHVSPQQ-ZENOOKHLSA-N 1 0 391.384 3.751 20 30 GHEDRO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001172214142 905417127 /nfs/dbraw/zinc/41/71/27/905417127.db2.gz RBIQRIBUNJNBQV-UHFFFAOYSA-N 1 0 383.879 3.750 20 30 GHEDRO COCCC[NH+]1CCC(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC001172253504 905448411 /nfs/dbraw/zinc/44/84/11/905448411.db2.gz RXRKJTPWYGEIKH-UHFFFAOYSA-N 1 0 391.943 3.556 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F ZINC001172302573 905454712 /nfs/dbraw/zinc/45/47/12/905454712.db2.gz MCFGEBNLYRSTDP-ATZDWAIDSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001172305154 905459516 /nfs/dbraw/zinc/45/95/16/905459516.db2.gz QPGTYOZSTKMYLT-GAJHUEQPSA-N 1 0 377.463 3.757 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001172305249 905459689 /nfs/dbraw/zinc/45/96/89/905459689.db2.gz REOXSALGCUIHSM-IBGZPJMESA-N 1 0 395.572 3.918 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001172306516 905461480 /nfs/dbraw/zinc/46/14/80/905461480.db2.gz XGNSZWANPSCVNL-AVRDEDQJSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001172307777 905465156 /nfs/dbraw/zinc/46/51/56/905465156.db2.gz JKAMPJCETFAXBC-IBGZPJMESA-N 1 0 375.520 3.662 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001172312563 905469542 /nfs/dbraw/zinc/46/95/42/905469542.db2.gz GZGREYHRHZYRDU-RHSMWYFYSA-N 1 0 390.409 3.841 20 30 GHEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001172512079 905605388 /nfs/dbraw/zinc/60/53/88/905605388.db2.gz YLZMISHUSQJEOJ-VWPQPMDRSA-N 1 0 382.589 3.902 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC2CCC2)c(OC)c1 ZINC000801583559 921161684 /nfs/dbraw/zinc/16/16/84/921161684.db2.gz ZSVHQYBIFUFSGB-QFIPXVFZSA-N 1 0 380.488 3.911 20 30 GHEDRO C#CC(C)(C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172693040 905742383 /nfs/dbraw/zinc/74/23/83/905742383.db2.gz NYAQPOLKVRJKMP-HXUWFJFHSA-N 1 0 396.556 3.897 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000176560420 905874128 /nfs/dbraw/zinc/87/41/28/905874128.db2.gz IQUFVMSYKRDHJW-UHFFFAOYSA-N 1 0 376.549 3.635 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C#N ZINC001172970877 906032916 /nfs/dbraw/zinc/03/29/16/906032916.db2.gz JIKILQQBIRHSDF-CABCVRRESA-N 1 0 399.413 3.966 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](CCO)c2cccc(Cl)c2)C[C@H]1C#N ZINC001172975453 906040938 /nfs/dbraw/zinc/04/09/38/906040938.db2.gz ZNSIVNQISAZDRU-BZSNNMDCSA-N 1 0 393.915 3.645 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2c3ccccc3c3c2CC[NH2+]C3)C[C@H]1C#N ZINC001172983080 906049121 /nfs/dbraw/zinc/04/91/21/906049121.db2.gz GHXMHJVTFHJUBR-HOTGVXAUSA-N 1 0 380.492 3.751 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)C[C@H]1C#N ZINC001172983469 906049991 /nfs/dbraw/zinc/04/99/91/906049991.db2.gz GCMWIPIYMBNCAC-AOIWGVFYSA-N 1 0 389.471 3.570 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](N2CCCC[C@@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986551 906051185 /nfs/dbraw/zinc/05/11/85/906051185.db2.gz XKJWLOFTHORNRX-AQNXPRMDSA-N 1 0 390.572 3.618 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986016 906051248 /nfs/dbraw/zinc/05/12/48/906051248.db2.gz TWJYLMOOHNYXEE-IRFCIJBXSA-N 1 0 379.504 3.901 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c(Cl)c1 ZINC001172986404 906051674 /nfs/dbraw/zinc/05/16/74/906051674.db2.gz SYEIGOUQZHDMMO-CABCVRRESA-N 1 0 379.888 3.730 20 30 GHEDRO C[N@H+](CCC(=O)c1cccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991555 906101468 /nfs/dbraw/zinc/10/14/68/906101468.db2.gz ZKKAWZDPFXXMHA-CABCVRRESA-N 1 0 377.510 3.544 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC3 ZINC000190614961 906175604 /nfs/dbraw/zinc/17/56/04/906175604.db2.gz CNCQTNPNQOVUEY-NTKDMRAZSA-N 1 0 398.510 3.596 20 30 GHEDRO CCC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000190633177 906184314 /nfs/dbraw/zinc/18/43/14/906184314.db2.gz GHQPCPDFYRQQSR-NHCUHLMSSA-N 1 0 392.459 3.698 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000628648503 906224943 /nfs/dbraw/zinc/22/49/43/906224943.db2.gz VGUSJBVBUSXADB-GFCCVEGCSA-N 1 0 386.311 3.800 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2CC ZINC001173228482 906310440 /nfs/dbraw/zinc/31/04/40/906310440.db2.gz YDHSFDRIQSTBFB-WEYGHZABSA-N 1 0 385.508 3.947 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000178544690 906357772 /nfs/dbraw/zinc/35/77/72/906357772.db2.gz OVKHFKHYIAYKAR-HNNXBMFYSA-O 1 0 389.928 3.501 20 30 GHEDRO CC(=O)N1CCC(C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000178568877 906360920 /nfs/dbraw/zinc/36/09/20/906360920.db2.gz BWQXGDFTQOJGTD-UHFFFAOYSA-N 1 0 378.520 3.811 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CC1 ZINC001173321477 906370518 /nfs/dbraw/zinc/37/05/18/906370518.db2.gz MSCHOWRGIWBOSM-UBVWURDFSA-N 1 0 382.548 3.933 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2OCCC[C@@]2(C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173325762 906373594 /nfs/dbraw/zinc/37/35/94/906373594.db2.gz MNJMMNXMYIXJHJ-OZODEMHJSA-N 1 0 391.556 3.855 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCOCC3)C2)CC1 ZINC001173334963 906377215 /nfs/dbraw/zinc/37/72/15/906377215.db2.gz BIYDRDGDAKDNEA-IXFUEQBVSA-N 1 0 390.568 3.773 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000178824646 906389180 /nfs/dbraw/zinc/38/91/80/906389180.db2.gz FVAFWGYZZJQWAL-UHFFFAOYSA-N 1 0 388.418 3.755 20 30 GHEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173374779 906403280 /nfs/dbraw/zinc/40/32/80/906403280.db2.gz QWWWPCJRTSWJMX-TXXWUTRGSA-N 1 0 379.541 3.846 20 30 GHEDRO CC1(C#N)CC[NH+](C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001173397171 906424312 /nfs/dbraw/zinc/42/43/12/906424312.db2.gz OJKCGULDHMZRLN-UHFFFAOYSA-N 1 0 390.325 3.679 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3COc4ccc(Cl)cc43)CC2)cc1 ZINC001173428932 906464889 /nfs/dbraw/zinc/46/48/89/906464889.db2.gz XZMZJUPOCUHZND-LJQANCHMSA-N 1 0 381.863 3.540 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](Oc4ccccc4)C3)CC2)cc1 ZINC001173431998 906468818 /nfs/dbraw/zinc/46/88/18/906468818.db2.gz UMXDMRXEOCROHA-QHCPKHFHSA-N 1 0 389.499 3.706 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)CCCCC(=O)OC)CC2 ZINC001173447654 906488112 /nfs/dbraw/zinc/48/81/12/906488112.db2.gz RHOARIZZGQKSIF-SFHVURJKSA-N 1 0 380.529 3.609 20 30 GHEDRO O=C(c1ccc(Cl)cc1)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000179393129 906491903 /nfs/dbraw/zinc/49/19/03/906491903.db2.gz DPHDMUBCVMOFPN-QGZVFWFLSA-O 1 0 389.928 3.725 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]([NH2+]C3CCC(C)(C#N)CC3)CO2)C1 ZINC001173588286 906545070 /nfs/dbraw/zinc/54/50/70/906545070.db2.gz AKNXLXOTMRYADM-YPTYLKSTSA-N 1 0 377.529 3.607 20 30 GHEDRO CC1(C#N)CCC([NH+]2CCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC001173596920 906550956 /nfs/dbraw/zinc/55/09/56/906550956.db2.gz BIYGVTWDYJCVPP-UHFFFAOYSA-N 1 0 390.325 3.679 20 30 GHEDRO C[C@H]1CN(c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)CCO1 ZINC000179954785 906643123 /nfs/dbraw/zinc/64/31/23/906643123.db2.gz NDCBEGGLIDFHSQ-IBGZPJMESA-N 1 0 390.531 3.860 20 30 GHEDRO COc1cc2c(cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000180047698 906675857 /nfs/dbraw/zinc/67/58/57/906675857.db2.gz UZRANXKNKLOJMA-OAHLLOKOSA-N 1 0 388.471 3.581 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000180064208 906679013 /nfs/dbraw/zinc/67/90/13/906679013.db2.gz RVTKYGUABAWJES-NVXWUHKLSA-N 1 0 384.505 3.998 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000180097992 906690166 /nfs/dbraw/zinc/69/01/66/906690166.db2.gz SHNOFPYVGSEUSM-KRWDZBQOSA-N 1 0 378.476 3.895 20 30 GHEDRO COCCCOc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180337747 906750960 /nfs/dbraw/zinc/75/09/60/906750960.db2.gz IMLIAJIXSZWHMM-UHFFFAOYSA-N 1 0 390.487 3.664 20 30 GHEDRO CCCCNC(=O)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1 ZINC001174123430 906829020 /nfs/dbraw/zinc/82/90/20/906829020.db2.gz KTNRLSSVRUEACP-UHFFFAOYSA-N 1 0 391.519 3.584 20 30 GHEDRO CC(C)(C)OC(=O)c1ccnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000779431328 907037039 /nfs/dbraw/zinc/03/70/39/907037039.db2.gz ZWRFAWWAGMPQHH-UHFFFAOYSA-N 1 0 392.503 3.621 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191617695 907112253 /nfs/dbraw/zinc/11/22/53/907112253.db2.gz ZMKPZUVKFLIVDS-UHFFFAOYSA-N 1 0 376.504 3.709 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)CC1 ZINC000182102624 907135422 /nfs/dbraw/zinc/13/54/22/907135422.db2.gz QDDFHMXEPBIOFB-SFHVURJKSA-N 1 0 392.503 3.760 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)CC2)cc1 ZINC000182155569 907147445 /nfs/dbraw/zinc/14/74/45/907147445.db2.gz DRNDMQPIVWONHD-GOTSBHOMSA-N 1 0 397.469 3.921 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1 ZINC000182205915 907157778 /nfs/dbraw/zinc/15/77/78/907157778.db2.gz GGIATIKBZZXURI-HSZRJFAPSA-N 1 0 377.488 3.802 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000299392262 921307626 /nfs/dbraw/zinc/30/76/26/921307626.db2.gz LCZLNZAJOPKHQM-UHFFFAOYSA-N 1 0 382.533 3.673 20 30 GHEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C1 ZINC001174891698 907272999 /nfs/dbraw/zinc/27/29/99/907272999.db2.gz VASIEPWDUAUKGG-DENIHFKCSA-N 1 0 384.545 3.913 20 30 GHEDRO CN1CCCC[C@@H]([N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)C1=O ZINC001175164696 907413662 /nfs/dbraw/zinc/41/36/62/907413662.db2.gz NKIZZZUQVFQHSB-JOCHJYFZSA-N 1 0 375.516 3.829 20 30 GHEDRO CSC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC001175219317 907438139 /nfs/dbraw/zinc/43/81/39/907438139.db2.gz CTLIKTBZJNJWKM-ZDUSSCGKSA-N 1 0 377.579 3.901 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000192137969 907456916 /nfs/dbraw/zinc/45/69/16/907456916.db2.gz LGJCRJWBAVCNIP-UHFFFAOYSA-N 1 0 396.491 3.561 20 30 GHEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175349922 907511746 /nfs/dbraw/zinc/51/17/46/907511746.db2.gz GNXOWQHLTNEURV-KRWDZBQOSA-N 1 0 395.286 3.745 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000184354803 907568751 /nfs/dbraw/zinc/56/87/51/907568751.db2.gz WMSIEEMLMQYKRX-QGZVFWFLSA-N 1 0 396.491 3.630 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001175690581 907697151 /nfs/dbraw/zinc/69/71/51/907697151.db2.gz ZUFFMDMLCRUHQM-JPYJTQIMSA-N 1 0 379.479 3.563 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3cnc(C#N)c(C(F)(F)F)c3)cc2)CC1 ZINC001175783201 907745350 /nfs/dbraw/zinc/74/53/50/907745350.db2.gz GWXLLVTYTMKXIC-UHFFFAOYSA-N 1 0 375.398 3.858 20 30 GHEDRO COc1cc(SC)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000192643766 907801877 /nfs/dbraw/zinc/80/18/77/907801877.db2.gz JVCQJKOOSUEIJF-UHFFFAOYSA-N 1 0 398.532 3.884 20 30 GHEDRO C#CC[N@@H+](CCCCCn1cc(C)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176130172 907951775 /nfs/dbraw/zinc/95/17/75/907951775.db2.gz UCHVCLAOLKGJIG-UHFFFAOYSA-N 1 0 388.556 3.697 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccnc(C#N)c1 ZINC000192900196 908002018 /nfs/dbraw/zinc/00/20/18/908002018.db2.gz OQVUKMQBSSRTAU-UHFFFAOYSA-N 1 0 391.302 3.854 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCCCS(C)(=O)=O)cc1 ZINC000186889745 908001824 /nfs/dbraw/zinc/00/18/24/908001824.db2.gz AEJLOMFDCMRYDI-UHFFFAOYSA-N 1 0 387.549 3.768 20 30 GHEDRO COc1cc(C)ccc1Oc1ccccc1C[N@H+](C)CCC(=O)N(C)CCC#N ZINC001176252362 908022458 /nfs/dbraw/zinc/02/24/58/908022458.db2.gz IVSFSXBDELXHSU-UHFFFAOYSA-N 1 0 395.503 3.990 20 30 GHEDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001176467447 908124043 /nfs/dbraw/zinc/12/40/43/908124043.db2.gz PQGJGWVVACDFCI-CYBMUJFWSA-N 1 0 398.322 3.800 20 30 GHEDRO C=CCn1cc(Nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)cn1 ZINC001176545626 908140350 /nfs/dbraw/zinc/14/03/50/908140350.db2.gz COAKBMOEOZBXPV-UHFFFAOYSA-N 1 0 393.535 3.903 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@]3(C)C3CC3)sc2C1 ZINC001176820297 908266159 /nfs/dbraw/zinc/26/61/59/908266159.db2.gz WZPDYZXUVMFECB-QKKBWIMNSA-N 1 0 387.549 3.574 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001176855798 908296937 /nfs/dbraw/zinc/29/69/37/908296937.db2.gz JCIXXZMMOQWWHH-OWCLPIDISA-N 1 0 387.549 3.574 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC000189482073 908329971 /nfs/dbraw/zinc/32/99/71/908329971.db2.gz NEODULRIHXZBAQ-GOSISDBHSA-N 1 0 390.911 3.572 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1SC ZINC000190607747 908507169 /nfs/dbraw/zinc/50/71/69/908507169.db2.gz FQUDBZCLVKYDER-KXBFYZLASA-N 1 0 395.528 3.740 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190611984 908507382 /nfs/dbraw/zinc/50/73/82/908507382.db2.gz PCZGBIOZBGUOIL-KBXCAEBGSA-N 1 0 382.533 3.898 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2ccccc2c1O ZINC000190628417 908510559 /nfs/dbraw/zinc/51/05/59/908510559.db2.gz MBQFJCISZOUCKY-KSFYIVLOSA-N 1 0 385.467 3.869 20 30 GHEDRO CO/N=C(\C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)c1ccco1 ZINC001177350880 908547888 /nfs/dbraw/zinc/54/78/88/908547888.db2.gz YVOQGKFFOYECLC-FLFQWRMESA-N 1 0 395.503 3.535 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634378799 908696696 /nfs/dbraw/zinc/69/66/96/908696696.db2.gz VMIBVAAXPRFKSH-RBUKOAKNSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1OC ZINC001178108634 908886446 /nfs/dbraw/zinc/88/64/46/908886446.db2.gz FRJYKPUDFWHAFF-SUMWQHHRSA-N 1 0 395.341 3.595 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c(OCC=C)c(OCC)c1)[C@@H]1CCCO1 ZINC001178528522 909090060 /nfs/dbraw/zinc/09/00/60/909090060.db2.gz MJHGZTPYDNWMFP-SJORKVTESA-N 1 0 394.309 3.683 20 30 GHEDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1 ZINC000266447474 909167532 /nfs/dbraw/zinc/16/75/32/909167532.db2.gz ILEFZRDENNEFCI-IRXDYDNUSA-N 1 0 381.476 3.690 20 30 GHEDRO C#CCOc1ccc(Br)cc1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001179194669 909427174 /nfs/dbraw/zinc/42/71/74/909427174.db2.gz VXTLNPPRJHSTLQ-SFHVURJKSA-N 1 0 391.353 3.958 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000267371176 909469736 /nfs/dbraw/zinc/46/97/36/909469736.db2.gz KFWMDAWRROIQKO-GCJKJVERSA-N 1 0 376.504 3.610 20 30 GHEDRO C#CCC[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC001179489158 909553777 /nfs/dbraw/zinc/55/37/77/909553777.db2.gz HBDSGUJKIOYRQU-LJQANCHMSA-N 1 0 388.305 3.892 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC001179579138 909589924 /nfs/dbraw/zinc/58/99/24/909589924.db2.gz KNXCHSMINSOTTQ-INIZCTEOSA-N 1 0 390.350 3.760 20 30 GHEDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)cs1 ZINC000267722880 909603549 /nfs/dbraw/zinc/60/35/49/909603549.db2.gz MAOOVDJOZYLOPO-DLBZAZTESA-N 1 0 384.549 3.991 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC000245557369 909739356 /nfs/dbraw/zinc/73/93/56/909739356.db2.gz JWPJSQJKVIGTIS-RXVVDRJESA-N 1 0 377.488 3.762 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000245570399 909750062 /nfs/dbraw/zinc/75/00/62/909750062.db2.gz WZHWKNQFBGMVAR-ICSRJNTNSA-N 1 0 377.488 3.619 20 30 GHEDRO C=CCC(CC=C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268180647 909789145 /nfs/dbraw/zinc/78/91/45/909789145.db2.gz KWAKDCSPRCGAQM-UHFFFAOYSA-N 1 0 386.536 3.561 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001180184475 909980645 /nfs/dbraw/zinc/98/06/45/909980645.db2.gz PZSFTLRKFWEFGG-UHFFFAOYSA-N 1 0 375.513 3.558 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000366379586 921552651 /nfs/dbraw/zinc/55/26/51/921552651.db2.gz MVDOVHBGGBQJPJ-NQIIRXRSSA-N 1 0 376.504 3.811 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccccc2)c(C)s1 ZINC000270467869 910579032 /nfs/dbraw/zinc/57/90/32/910579032.db2.gz YMCLOBBNMJHBEO-MRXNPFEDSA-O 1 0 389.566 3.750 20 30 GHEDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000270705294 910669297 /nfs/dbraw/zinc/66/92/97/910669297.db2.gz YXYIOBXRJGMLNH-FQEVSTJZSA-N 1 0 384.476 3.600 20 30 GHEDRO C=CCn1c(C)nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1=S ZINC000246951120 910791699 /nfs/dbraw/zinc/79/16/99/910791699.db2.gz ICEXDBRVMZJXGE-SFTDATJTSA-N 1 0 397.592 3.853 20 30 GHEDRO C#CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000091858439 911305165 /nfs/dbraw/zinc/30/51/65/911305165.db2.gz CKDJFCYRXFODOW-UHFFFAOYSA-N 1 0 383.879 3.598 20 30 GHEDRO C#Cc1cccc(NC(=O)CN(C)Cc2c[nH]nc2-c2cccc(Cl)c2)c1 ZINC000092143567 911421866 /nfs/dbraw/zinc/42/18/66/911421866.db2.gz NDMVCOUOQKUAMX-UHFFFAOYSA-N 1 0 378.863 3.782 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC000366516407 921660214 /nfs/dbraw/zinc/66/02/14/921660214.db2.gz DOGXZEZEEWVKSE-UHFFFAOYSA-N 1 0 376.464 3.683 20 30 GHEDRO N#CC1(NC(=O)CCc2cccc3cnccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001182401485 911584933 /nfs/dbraw/zinc/58/49/33/911584933.db2.gz NDTGRXQWVZSJKM-UHFFFAOYSA-N 1 0 398.510 3.842 20 30 GHEDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)NC(=O)OC(C)(C)C)cc1 ZINC000774303922 911620354 /nfs/dbraw/zinc/62/03/54/911620354.db2.gz SOZSIRRXBCEWPM-HQRMLTQVSA-N 1 0 386.540 3.990 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001182433452 911653143 /nfs/dbraw/zinc/65/31/43/911653143.db2.gz IVNHPZALEUXRFM-IFMALSPDSA-N 1 0 375.472 3.936 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC2(C)CC2)c1 ZINC000284095646 911750655 /nfs/dbraw/zinc/75/06/55/911750655.db2.gz LAOBCXBQLYJFIE-UHFFFAOYSA-O 1 0 384.481 3.580 20 30 GHEDRO CC(C)(C(=O)NCc1ccnc(N2CCCCC2)c1)c1cc(F)cc(C#N)c1 ZINC000284944323 912087835 /nfs/dbraw/zinc/08/78/35/912087835.db2.gz BJVBHNBMYXUKIP-UHFFFAOYSA-N 1 0 380.467 3.677 20 30 GHEDRO CC[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014946 912148358 /nfs/dbraw/zinc/14/83/58/912148358.db2.gz QQERQPLFXIVMCW-BFUOFWGJSA-N 1 0 394.972 3.858 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000093278759 912151565 /nfs/dbraw/zinc/15/15/65/912151565.db2.gz PVBXFIXBVSVKSD-QFIPXVFZSA-N 1 0 389.499 3.724 20 30 GHEDRO CC(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000303620102 915002232 /nfs/dbraw/zinc/00/22/32/915002232.db2.gz CYSJTPYUGHVRTN-SFHVURJKSA-N 1 0 379.508 3.831 20 30 GHEDRO Cc1nc(-c2ccc(CCNC(=[NH2+])NCCc3cccs3)s2)cs1 ZINC000303782236 915125605 /nfs/dbraw/zinc/12/56/05/915125605.db2.gz MZETXCVKHYWJHV-UHFFFAOYSA-N 1 0 376.576 3.931 20 30 GHEDRO C[NH+](C)Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC001187290096 915155445 /nfs/dbraw/zinc/15/54/45/915155445.db2.gz YGTPFHAKLAIUIY-UHFFFAOYSA-N 1 0 397.906 3.957 20 30 GHEDRO C[C@H]1CCCN(C(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000303863633 915223197 /nfs/dbraw/zinc/22/31/97/915223197.db2.gz AJZKBPNDYDTYCC-HNNXBMFYSA-N 1 0 383.458 3.800 20 30 GHEDRO Cc1cccc(C(=O)NCCNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303875900 915234966 /nfs/dbraw/zinc/23/49/66/915234966.db2.gz HVBSBZIFSMPGTL-CYBMUJFWSA-N 1 0 393.318 3.697 20 30 GHEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000303880104 915293509 /nfs/dbraw/zinc/29/35/09/915293509.db2.gz KAZADXBKXXXGPW-OAHLLOKOSA-N 1 0 384.402 3.988 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NCCC(=O)Nc2ccc(Br)cc2)cc1C ZINC000303882789 915296068 /nfs/dbraw/zinc/29/60/68/915296068.db2.gz LVEWLSQWXRSCAP-UHFFFAOYSA-N 1 0 389.297 3.821 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1cccc(CN2CCOCC2)c1 ZINC000303898606 915301791 /nfs/dbraw/zinc/30/17/91/915301791.db2.gz RERRXHKFQJNJHA-UHFFFAOYSA-N 1 0 380.536 3.570 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC000303902617 915305473 /nfs/dbraw/zinc/30/54/73/915305473.db2.gz XYIDVJAKKWKHEU-ZDUSSCGKSA-N 1 0 396.919 3.722 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NCc2cc(Br)c(OC)c(OC)c2)cc1 ZINC000303991079 915350654 /nfs/dbraw/zinc/35/06/54/915350654.db2.gz ZEEKCCHMKUCFIV-UHFFFAOYSA-N 1 0 392.297 3.956 20 30 GHEDRO CN(CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000304701374 915633972 /nfs/dbraw/zinc/63/39/72/915633972.db2.gz JOPNKRPXZJFGLK-UHFFFAOYSA-N 1 0 384.377 3.583 20 30 GHEDRO [NH2+]=C(NCCCc1cccc(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000304739453 915668979 /nfs/dbraw/zinc/66/89/79/915668979.db2.gz BFOPEDZAUBLUKV-KRWDZBQOSA-N 1 0 388.309 3.810 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304752693 915670542 /nfs/dbraw/zinc/67/05/42/915670542.db2.gz KMCUQMYLWPOPKT-UHFFFAOYSA-N 1 0 376.382 3.888 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(Cl)c3Cl)C2)C1=O ZINC001275653819 915670788 /nfs/dbraw/zinc/67/07/88/915670788.db2.gz PKICUXWCQAUDOW-IBGZPJMESA-N 1 0 381.303 3.911 20 30 GHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CC=CC2)cc1 ZINC000304759336 915674415 /nfs/dbraw/zinc/67/44/15/915674415.db2.gz QZTPDXAEWPULDX-UHFFFAOYSA-N 1 0 390.409 3.566 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000292869250 915881310 /nfs/dbraw/zinc/88/13/10/915881310.db2.gz SIBXTWOZGMVKRM-DZGCQCFKSA-N 1 0 376.298 3.792 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000305186631 915984523 /nfs/dbraw/zinc/98/45/23/915984523.db2.gz XHKGNGFRQKEZCK-INIZCTEOSA-N 1 0 395.425 3.725 20 30 GHEDRO N#Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccc(Cl)s4)C3)C2=O)c1 ZINC001275690126 916034037 /nfs/dbraw/zinc/03/40/37/916034037.db2.gz DTJGWYDNLFCMPP-FQEVSTJZSA-N 1 0 385.920 3.898 20 30 GHEDRO [NH2+]=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305694399 916240645 /nfs/dbraw/zinc/24/06/45/916240645.db2.gz RHFLAGONPLFLSD-AWEZNQCLSA-N 1 0 391.752 3.838 20 30 GHEDRO [NH2+]=C(NCCc1nc2c(s1)CCCC2)Nc1ccccc1OC(F)(F)F ZINC000305738394 916314120 /nfs/dbraw/zinc/31/41/20/916314120.db2.gz YYDMGSBFHNEAOJ-UHFFFAOYSA-N 1 0 384.427 3.890 20 30 GHEDRO N#C[C@]1(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CC12CCCC2 ZINC000295245957 917227013 /nfs/dbraw/zinc/22/70/13/917227013.db2.gz JPBQRPALXVMLSY-DEOSSOPVSA-N 1 0 395.547 3.648 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1C#N ZINC000775375377 917265593 /nfs/dbraw/zinc/26/55/93/917265593.db2.gz RLMQEEYYQSDMLT-INIZCTEOSA-N 1 0 375.394 3.954 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000362963664 917564355 /nfs/dbraw/zinc/56/43/55/917564355.db2.gz CCKOUBKLRJABHF-NBHGPNQESA-N 1 0 398.547 3.669 20 30 GHEDRO CCCCCCCCNC(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001191059610 917729542 /nfs/dbraw/zinc/72/95/42/917729542.db2.gz HWTZNCUGLBBWME-RBBKRZOGSA-N 1 0 379.589 3.737 20 30 GHEDRO CCC[N@H+](C[C@H](O)c1cccc(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001191634820 918086925 /nfs/dbraw/zinc/08/69/25/918086925.db2.gz BQNKEOTYEYZCRD-FQEVSTJZSA-N 1 0 387.524 3.703 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000282425763 919601452 /nfs/dbraw/zinc/60/14/52/919601452.db2.gz YFWNRRMUCMXQBG-WMZOPIPTSA-N 1 0 398.942 3.633 20 30 GHEDRO CCCc1c(NC(=O)N(CC)CCC[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000364535820 919602294 /nfs/dbraw/zinc/60/22/94/919602294.db2.gz JLRBBMUYOIKISU-UHFFFAOYSA-N 1 0 382.512 3.502 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1OC ZINC000800288359 919845442 /nfs/dbraw/zinc/84/54/42/919845442.db2.gz LXDYLUZQILYZJT-KRWDZBQOSA-N 1 0 392.293 3.846 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C1(C#N)CCSCC1 ZINC000903021510 922715667 /nfs/dbraw/zinc/71/56/67/922715667.db2.gz XLIYHHZNKNOTPJ-UHFFFAOYSA-N 1 0 375.563 3.519 20 30 GHEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000368516523 922723215 /nfs/dbraw/zinc/72/32/15/922723215.db2.gz ZHWQFQFKIJVTRO-MOPGFXCFSA-N 1 0 376.504 3.513 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1COc2ccccc2C1 ZINC000903042604 922724363 /nfs/dbraw/zinc/72/43/63/922724363.db2.gz FMHDZXWJIXXKPW-GCJKJVERSA-N 1 0 375.516 3.752 20 30 GHEDRO C=CCC[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)[C@H]1Cc2ccccc2O1 ZINC000903150456 922810733 /nfs/dbraw/zinc/81/07/33/922810733.db2.gz RMIPFBQDFGHRME-LDVNLBKXSA-N 1 0 377.550 3.518 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903197420 922846379 /nfs/dbraw/zinc/84/63/79/922846379.db2.gz YRMWJKUFMDEOTL-QGZVFWFLSA-N 1 0 398.551 3.558 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000369649219 923512856 /nfs/dbraw/zinc/51/28/56/923512856.db2.gz RSHFIBXJBLQAQW-WSTZPKSXSA-N 1 0 375.561 3.579 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)CC1 ZINC000748799928 923836246 /nfs/dbraw/zinc/83/62/46/923836246.db2.gz HDLASLVEYBLAPM-UHFFFAOYSA-N 1 0 375.444 3.680 20 30 GHEDRO COc1ccc(C[NH2+]C2CCC(c3nc(C)no3)CC2)cc1OCCCC#N ZINC000370290015 924012685 /nfs/dbraw/zinc/01/26/85/924012685.db2.gz LXQGUGOXKSQOSJ-UHFFFAOYSA-N 1 0 384.480 3.885 20 30 GHEDRO N#CCC1CC[NH+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000543808396 924461462 /nfs/dbraw/zinc/46/14/62/924461462.db2.gz ZQZJRCWTCINPOS-JOCHJYFZSA-N 1 0 379.529 3.848 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000371533390 924640423 /nfs/dbraw/zinc/64/04/23/924640423.db2.gz GQOIQVZLEKJUET-QZTJIDSGSA-N 1 0 395.453 3.743 20 30 GHEDRO C=CCOCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000679576556 925185929 /nfs/dbraw/zinc/18/59/29/925185929.db2.gz PDDDNUAXGFUJMK-QGZVFWFLSA-N 1 0 380.554 3.541 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cccc(-c4ccncc4)c3)C2)CC1 ZINC001137387235 925265056 /nfs/dbraw/zinc/26/50/56/925265056.db2.gz ATPTXOCBYHMEDB-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000680971528 925673064 /nfs/dbraw/zinc/67/30/64/925673064.db2.gz KXLQFHAQNWUDFS-LJQANCHMSA-N 1 0 380.488 3.607 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)cc1Cl ZINC001276131124 925844972 /nfs/dbraw/zinc/84/49/72/925844972.db2.gz VVVSBIWXALGRNY-FQEVSTJZSA-N 1 0 375.900 3.609 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000411168039 926164396 /nfs/dbraw/zinc/16/43/96/926164396.db2.gz PAYHICXFAAJUOT-INIZCTEOSA-N 1 0 381.476 3.815 20 30 GHEDRO CN(C(=O)C[C@H](CC#N)c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000373472778 926166835 /nfs/dbraw/zinc/16/68/35/926166835.db2.gz ZKCQJBWUTLEWMU-NRFANRHFSA-N 1 0 390.531 3.634 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373482381 926178076 /nfs/dbraw/zinc/17/80/76/926178076.db2.gz GYOICZJPPOIBFJ-NNGSBXSVSA-N 1 0 381.442 3.872 20 30 GHEDRO COC(=O)[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000411381570 926346357 /nfs/dbraw/zinc/34/63/57/926346357.db2.gz BCILTPSFRCWXQE-VLIAUNLRSA-N 1 0 399.878 3.680 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1Cl ZINC000411410927 926371741 /nfs/dbraw/zinc/37/17/41/926371741.db2.gz UFEBQKTZMKWRMT-SJORKVTESA-N 1 0 393.940 3.527 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)CCC2 ZINC000411463477 926424949 /nfs/dbraw/zinc/42/49/49/926424949.db2.gz RSQAGYLOFMMWDM-IIBYNOLFSA-N 1 0 395.528 3.804 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1O ZINC000725776129 926433640 /nfs/dbraw/zinc/43/36/40/926433640.db2.gz OBKPZNVSBSXQGX-UHFFFAOYSA-N 1 0 377.488 3.713 20 30 GHEDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2ccccn21 ZINC000411514782 926477627 /nfs/dbraw/zinc/47/76/27/926477627.db2.gz SPDCVDKKQNXFDV-KRWDZBQOSA-N 1 0 396.882 3.714 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3CCC[C@H]3OC(F)F)sc2C1 ZINC000411716617 926674718 /nfs/dbraw/zinc/67/47/18/926674718.db2.gz FPOWIECZXRQMCN-NILFDRSVSA-N 1 0 397.491 3.823 20 30 GHEDRO COC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411804736 926794907 /nfs/dbraw/zinc/79/49/07/926794907.db2.gz GSLHWNSCJGNDLA-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c(Br)c1 ZINC000412002231 926993767 /nfs/dbraw/zinc/99/37/67/926993767.db2.gz KEUAZKHFVMQGLU-UHFFFAOYSA-N 1 0 375.310 3.598 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412008258 927007664 /nfs/dbraw/zinc/00/76/64/927007664.db2.gz KWHAOYGNXNUUKW-IBGZPJMESA-N 1 0 383.517 3.832 20 30 GHEDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCC1 ZINC000412019511 927017046 /nfs/dbraw/zinc/01/70/46/927017046.db2.gz FOYWDIPXQJSXAY-KGLIPLIRSA-N 1 0 375.538 3.620 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1C#N ZINC000412035683 927023118 /nfs/dbraw/zinc/02/31/18/927023118.db2.gz DWFIZXVSHJABJM-NSHGMRRFSA-N 1 0 398.551 3.513 20 30 GHEDRO CCC(CC)[C@@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)[NH+]1CCCC1 ZINC000374345179 927037485 /nfs/dbraw/zinc/03/74/85/927037485.db2.gz BGUVNMPLMXTIGK-HXUWFJFHSA-N 1 0 397.567 3.549 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)o2)c1 ZINC000749503634 927155607 /nfs/dbraw/zinc/15/56/07/927155607.db2.gz NEAUKJPZFZUDRR-UXHICEINSA-N 1 0 392.434 3.835 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000749576830 927198188 /nfs/dbraw/zinc/19/81/88/927198188.db2.gz UNWFHWFYTPGFMD-ROUUACIJSA-N 1 0 382.533 3.959 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc1 ZINC000749606368 927210562 /nfs/dbraw/zinc/21/05/62/927210562.db2.gz OFFPZVURSFSLIO-UHFFFAOYSA-N 1 0 383.517 3.776 20 30 GHEDRO C[C@@H](c1ccccc1)N(C)C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000749790450 927270713 /nfs/dbraw/zinc/27/07/13/927270713.db2.gz IIMVTCFUDVHTCC-SFHVURJKSA-N 1 0 394.519 3.533 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2cccc3c2CC[N@H+](CC(C)(C)O)C3)cc1 ZINC000374650395 927379587 /nfs/dbraw/zinc/37/95/87/927379587.db2.gz WXYOTGKMHDDNIV-UHFFFAOYSA-N 1 0 392.547 3.778 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@@H]3CCCC[C@@H]3C2)c1=S ZINC000749975291 927379697 /nfs/dbraw/zinc/37/96/97/927379697.db2.gz HFCLFFNBGMRCQQ-KDURUIRLSA-N 1 0 389.613 3.708 20 30 GHEDRO CC(C)(C)Oc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1C#N ZINC000412387080 927398241 /nfs/dbraw/zinc/39/82/41/927398241.db2.gz VNNWRTJPKHWLTH-SFHVURJKSA-N 1 0 387.549 3.892 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000751001598 927974366 /nfs/dbraw/zinc/97/43/66/927974366.db2.gz BSBIYBOCPZDZFV-GHTZIAJQSA-N 1 0 377.488 3.873 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000751559033 928250929 /nfs/dbraw/zinc/25/09/29/928250929.db2.gz NGQMJHVACWSIEA-YADHBBJMSA-N 1 0 377.488 3.865 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000752054615 928573402 /nfs/dbraw/zinc/57/34/02/928573402.db2.gz XWFPACPAHBWMKA-FQEVSTJZSA-N 1 0 399.535 3.605 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)CC[C@@H]2CCCO2)c1C#N ZINC000467132815 928738583 /nfs/dbraw/zinc/73/85/83/928738583.db2.gz AFOMNZVMFNEFKY-IBGZPJMESA-N 1 0 398.482 3.544 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1C#N ZINC000752308841 928747191 /nfs/dbraw/zinc/74/71/91/928747191.db2.gz VOZNIIHDWWXETG-GJZGRUSLSA-N 1 0 387.484 3.511 20 30 GHEDRO COc1ccc(C(C)=Nn2cc(Br)cn2)cc1C[NH+]1CCCC1 ZINC000752746698 929005270 /nfs/dbraw/zinc/00/52/70/929005270.db2.gz SYLJCEQTINWUBV-UHFFFAOYSA-N 1 0 377.286 3.522 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2csc(CCc3ccccc3)n2)cc1 ZINC000753178809 929238821 /nfs/dbraw/zinc/23/88/21/929238821.db2.gz RLMUCLPEBCGYLR-UHFFFAOYSA-N 1 0 394.544 3.827 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000753968658 929615688 /nfs/dbraw/zinc/61/56/88/929615688.db2.gz OUDVTMUAFMKKOW-SPEDKVCISA-N 1 0 393.487 3.635 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000757707349 929778484 /nfs/dbraw/zinc/77/84/84/929778484.db2.gz PLFMWKGSBLAOIW-KUHUBIRLSA-N 1 0 380.517 3.569 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000758800021 930170908 /nfs/dbraw/zinc/17/09/08/930170908.db2.gz SGGZQEWIHBEIIS-CEMLEFRQSA-N 1 0 392.503 3.612 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000758803346 930171970 /nfs/dbraw/zinc/17/19/70/930171970.db2.gz SLQQWCZQMLPFOW-GOSISDBHSA-N 1 0 382.533 3.960 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(F)c(C#N)c1 ZINC000469900996 930244676 /nfs/dbraw/zinc/24/46/76/930244676.db2.gz YOPSIJQHADJLBP-LJQANCHMSA-N 1 0 381.451 3.530 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccccc1 ZINC000759062875 930261307 /nfs/dbraw/zinc/26/13/07/930261307.db2.gz GNZJGXOHRJLHRU-UHFFFAOYSA-O 1 0 383.496 3.979 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)cc1 ZINC000546810925 930453620 /nfs/dbraw/zinc/45/36/20/930453620.db2.gz CFPZISKCTXVGHH-UHFFFAOYSA-N 1 0 380.492 3.560 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc(OC)c1OC ZINC000780726317 930586772 /nfs/dbraw/zinc/58/67/72/930586772.db2.gz MSJFUWWKJMJLJH-UHFFFAOYSA-N 1 0 386.458 3.939 20 30 GHEDRO S=C(NN=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Nc1cccnc1 ZINC000781117683 930705895 /nfs/dbraw/zinc/70/58/95/930705895.db2.gz SFSCSPAOBABUAE-IEBWSBKVSA-N 1 0 379.533 3.656 20 30 GHEDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000781420589 930837633 /nfs/dbraw/zinc/83/76/33/930837633.db2.gz LPUFRZTUNOBRGI-SFHVURJKSA-N 1 0 396.510 3.569 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@@H+]2C)cc1 ZINC000781479613 930863666 /nfs/dbraw/zinc/86/36/66/930863666.db2.gz ZWYICWHFYCOETN-KNQAVFIVSA-N 1 0 390.483 3.835 20 30 GHEDRO CO[C@]1(C(F)(F)F)CCCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000781977041 931049071 /nfs/dbraw/zinc/04/90/71/931049071.db2.gz HVYYYAWXBVGKQC-LJQANCHMSA-N 1 0 397.441 3.593 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782230997 931130972 /nfs/dbraw/zinc/13/09/72/931130972.db2.gz JKAAXUAMQGDVGO-UZUQRXQVSA-N 1 0 389.499 3.656 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782383946 931201632 /nfs/dbraw/zinc/20/16/32/931201632.db2.gz YSKITJLLLJECOY-QGZVFWFLSA-N 1 0 385.467 3.940 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000924698793 931478508 /nfs/dbraw/zinc/47/85/08/931478508.db2.gz HGDUVPRHUZPRSM-QGZVFWFLSA-N 1 0 382.508 3.967 20 30 GHEDRO N#CCN1CCC([NH2+][C@H](Cc2ccccc2Br)c2ccco2)CC1 ZINC000925005027 931610062 /nfs/dbraw/zinc/61/00/62/931610062.db2.gz XFXBAFHWVYIMPQ-GOSISDBHSA-N 1 0 388.309 3.903 20 30 GHEDRO CCc1cc(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)on1 ZINC000925129838 931667880 /nfs/dbraw/zinc/66/78/80/931667880.db2.gz QQWFTKHRIQZXFJ-HNNXBMFYSA-N 1 0 376.501 3.646 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](CO)c1ccccc1 ZINC000925273291 931726579 /nfs/dbraw/zinc/72/65/79/931726579.db2.gz DKSAQYLOVCVMOV-MJGOQNOKSA-N 1 0 387.524 3.629 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CC12CCOCC2 ZINC000926228057 932090629 /nfs/dbraw/zinc/09/06/29/932090629.db2.gz KXVJKXIWCLVCTJ-QZTJIDSGSA-N 1 0 391.556 3.712 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)cc1 ZINC000558606525 932103113 /nfs/dbraw/zinc/10/31/13/932103113.db2.gz POKNKUKVDQCXAJ-UYAOXDASSA-N 1 0 383.536 3.681 20 30 GHEDRO C=C1CCC(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)CC1 ZINC000926547552 932224690 /nfs/dbraw/zinc/22/46/90/932224690.db2.gz IYBYURFSNKTJJO-PZJWPPBQSA-N 1 0 387.572 3.581 20 30 GHEDRO N#CCc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000797229065 932227366 /nfs/dbraw/zinc/22/73/66/932227366.db2.gz XUOVRWGKONAQFH-HXUWFJFHSA-N 1 0 384.426 3.953 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000558880644 932288304 /nfs/dbraw/zinc/28/83/04/932288304.db2.gz XBKKOPSAGVCGQN-AZUAARDMSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CC1(C#N)CCCC1)CCO2 ZINC000926878635 932334580 /nfs/dbraw/zinc/33/45/80/932334580.db2.gz GWFLXOLMCKAFHF-QGZVFWFLSA-N 1 0 377.529 3.609 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000558978237 932350504 /nfs/dbraw/zinc/35/05/04/932350504.db2.gz CJPJCAVDNNLNDE-QUCCMNQESA-N 1 0 392.551 3.678 20 30 GHEDRO CCC[N@H+](CC(=O)NCCOc1c(C)cccc1C)Cc1ccc(C#N)cc1 ZINC000559206604 932515634 /nfs/dbraw/zinc/51/56/34/932515634.db2.gz NXIOWVSGMIBDGN-UHFFFAOYSA-N 1 0 379.504 3.582 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000799010513 932850241 /nfs/dbraw/zinc/85/02/41/932850241.db2.gz FXMOOMPEXAJBIL-DEOSSOPVSA-N 1 0 394.515 3.902 20 30 GHEDRO CN(CC1CC[NH+](CCCC2(C#N)CCOCC2)CC1)C(=O)OC(C)(C)C ZINC000799121101 932881930 /nfs/dbraw/zinc/88/19/30/932881930.db2.gz UDKRQUWSXSAMLF-UHFFFAOYSA-N 1 0 379.545 3.666 20 30 GHEDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000559835713 932894400 /nfs/dbraw/zinc/89/44/00/932894400.db2.gz MXXHSFVJLZHWRK-CUWPLCDZSA-N 1 0 397.519 3.545 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 ZINC000928655307 933052825 /nfs/dbraw/zinc/05/28/25/933052825.db2.gz TXCMIEBAXMLRRS-UHFFFAOYSA-N 1 0 376.456 3.509 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCC1 ZINC000560170526 933108791 /nfs/dbraw/zinc/10/87/91/933108791.db2.gz NXZAGBYIFPQWKT-GOSISDBHSA-N 1 0 398.551 3.621 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000560494067 933289610 /nfs/dbraw/zinc/28/96/10/933289610.db2.gz VREJAPVVBWEQML-YPAWHYETSA-N 1 0 380.513 3.600 20 30 GHEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000777807057 933563410 /nfs/dbraw/zinc/56/34/10/933563410.db2.gz BMHFNYCGOPNYDG-HXUWFJFHSA-N 1 0 387.487 3.992 20 30 GHEDRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2cncc(C#N)c2)cc1 ZINC000930183471 933881377 /nfs/dbraw/zinc/88/13/77/933881377.db2.gz VBTCXAAPCIRGNJ-UHFFFAOYSA-N 1 0 375.476 3.641 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]Cc2ccc(COCC(F)(F)F)cc2)c1 ZINC001118085403 934088285 /nfs/dbraw/zinc/08/82/85/934088285.db2.gz CSHPPEAEYAMBAD-UHFFFAOYSA-N 1 0 391.393 3.756 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+](CCCO)Cc3ccccn3)c2)c1 ZINC000561395744 934117965 /nfs/dbraw/zinc/11/79/65/934117965.db2.gz VFAIRKFTVFFJNK-UHFFFAOYSA-N 1 0 387.483 3.917 20 30 GHEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000930807110 934253813 /nfs/dbraw/zinc/25/38/13/934253813.db2.gz JMBKFEXIOCJSDA-HXUWFJFHSA-N 1 0 389.540 3.610 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000931174571 934416345 /nfs/dbraw/zinc/41/63/45/934416345.db2.gz PQDMAELPVOTFMU-ILBGXUMGSA-N 1 0 387.527 3.838 20 30 GHEDRO N#Cc1cnc(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC001120001531 934434143 /nfs/dbraw/zinc/43/41/43/934434143.db2.gz HHEVUJVDCUWPSJ-QYZOEREBSA-N 1 0 394.906 3.637 20 30 GHEDRO N#CC1(CCCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCC1 ZINC000931334037 934508270 /nfs/dbraw/zinc/50/82/70/934508270.db2.gz ZYBBACFYWPTJBU-HZMVEIRTSA-N 1 0 383.458 3.582 20 30 GHEDRO C=CCn1c(Cc2ccoc2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001121509497 934678673 /nfs/dbraw/zinc/67/86/73/934678673.db2.gz GMXNCYQPVIFRMF-UHFFFAOYSA-N 1 0 397.445 3.501 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001121553587 934695446 /nfs/dbraw/zinc/69/54/46/934695446.db2.gz UDZQKISJRQJRNY-JKSUJKDBSA-N 1 0 396.495 3.546 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001121582955 934705688 /nfs/dbraw/zinc/70/56/88/934705688.db2.gz YWOISIYFBARPJH-SJORKVTESA-N 1 0 375.561 3.651 20 30 GHEDRO CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC001122056026 934810179 /nfs/dbraw/zinc/81/01/79/934810179.db2.gz AWVUSVMEFHFEBO-WOJBJXKFSA-N 1 0 391.600 3.706 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3c3ccnn3C)sc2C1 ZINC000932266865 934863765 /nfs/dbraw/zinc/86/37/65/934863765.db2.gz VNBZKOMIKRQYIZ-KBXCAEBGSA-N 1 0 397.548 3.644 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(CC#N)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122535585 934892318 /nfs/dbraw/zinc/89/23/18/934892318.db2.gz CUWAIWPVRNECLY-UHFFFAOYSA-N 1 0 378.524 3.554 20 30 GHEDRO C=C(C)Cn1c([C@H](O)/C=C\CC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001122539933 934893931 /nfs/dbraw/zinc/89/39/31/934893931.db2.gz PEALJHOSTKMKLL-FUKWUPMWSA-N 1 0 387.572 3.699 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)/C=C/CC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001122539934 934893956 /nfs/dbraw/zinc/89/39/56/934893956.db2.gz PEALJHOSTKMKLL-IUYMFKLXSA-N 1 0 387.572 3.699 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)/C=C\CC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001122539935 934894031 /nfs/dbraw/zinc/89/40/31/934894031.db2.gz PEALJHOSTKMKLL-SMTIMMHKSA-N 1 0 387.572 3.699 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1C1(OCC)CCC1 ZINC001122543064 934895454 /nfs/dbraw/zinc/89/54/54/934895454.db2.gz ZMUDQXPXRZMYIQ-UHFFFAOYSA-N 1 0 387.572 3.725 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001122627568 934926024 /nfs/dbraw/zinc/92/60/24/934926024.db2.gz ZKFFVBVFBMDRBX-IRXDYDNUSA-N 1 0 381.515 3.925 20 30 GHEDRO C=CCOCc1nnc(N2CCC[C@@H](c3cncn3C(C)(C)C)C2)n1CC1CC1 ZINC001123581810 935229300 /nfs/dbraw/zinc/22/93/00/935229300.db2.gz LEKYKTSSOPVTNL-GOSISDBHSA-N 1 0 398.555 3.726 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C#N)cc1F ZINC001124237876 935361682 /nfs/dbraw/zinc/36/16/82/935361682.db2.gz KWVICIGWQCMAPD-UHFFFAOYSA-N 1 0 379.439 3.641 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC001125087758 935523040 /nfs/dbraw/zinc/52/30/40/935523040.db2.gz JFGDGHNGEGSKQT-NJNPRVFISA-N 1 0 393.572 3.711 20 30 GHEDRO C#CCn1ccc(CN(CCOC)c2cc[nH+]c3ccc(OC(C)C)cc32)n1 ZINC000828041283 935568478 /nfs/dbraw/zinc/56/84/78/935568478.db2.gz RAWNRMUEMQWTOI-UHFFFAOYSA-N 1 0 378.476 3.505 20 30 GHEDRO COCC[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C#N)cc1Br)C2 ZINC001137635628 935651186 /nfs/dbraw/zinc/65/11/86/935651186.db2.gz NKVYYYRFIATREE-VQIMIIECSA-N 1 0 393.325 3.728 20 30 GHEDRO N#Cc1ccc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(Br)c1 ZINC001137638243 935653590 /nfs/dbraw/zinc/65/35/90/935653590.db2.gz YSJSKNKPHREJMJ-WOJBJXKFSA-N 1 0 396.332 3.885 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c(C#N)c1 ZINC001137701880 935732912 /nfs/dbraw/zinc/73/29/12/935732912.db2.gz CSZCTBPJGDAYQX-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cccc(F)c1Br)C2 ZINC001137719837 935745959 /nfs/dbraw/zinc/74/59/59/935745959.db2.gz PHPBQRPHYRLIRC-CRAIPNDOSA-N 1 0 384.289 3.914 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000829649754 935839118 /nfs/dbraw/zinc/83/91/18/935839118.db2.gz GMWGSZJQJDIUKD-RHSMWYFYSA-N 1 0 393.915 3.977 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000829812569 935866638 /nfs/dbraw/zinc/86/66/38/935866638.db2.gz YVQTZOALVJGINH-CTNGQTDRSA-N 1 0 376.504 3.905 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000829812571 935866773 /nfs/dbraw/zinc/86/67/73/935866773.db2.gz YVQTZOALVJGINH-FPOVZHCZSA-N 1 0 376.504 3.905 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N(CCOC)CC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC001226661991 1032066203 /nfs/dbraw/zinc/06/62/03/1032066203.db2.gz VGNUWAQMRBERGA-HXUWFJFHSA-N 1 0 395.494 3.582 20 30 GHEDRO C[NH+](C)CCc1ccc(NC(=O)Cc2ccc(Br)cc2C#N)cc1 ZINC000593049982 1014611984 /nfs/dbraw/zinc/61/19/84/1014611984.db2.gz QUQZGPDBKCYSLF-UHFFFAOYSA-N 1 0 386.293 3.606 20 30 GHEDRO CC[C@H](CC(F)(F)F)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000544855241 1015109421 /nfs/dbraw/zinc/10/94/21/1015109421.db2.gz UGIYIDPPSRNEMH-QGZVFWFLSA-N 1 0 382.430 3.507 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)on2)c1 ZINC000468256093 1015511790 /nfs/dbraw/zinc/51/17/90/1015511790.db2.gz ULBVFDVGBFWUPT-NRFANRHFSA-N 1 0 386.455 3.780 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000545294366 1015749162 /nfs/dbraw/zinc/74/91/62/1015749162.db2.gz GHEJEGAWJDFKLA-FQEVSTJZSA-N 1 0 378.476 3.834 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)c2)CC1 ZINC000545329837 1015780700 /nfs/dbraw/zinc/78/07/00/1015780700.db2.gz XVJJPPUDHQWYTG-QGZVFWFLSA-N 1 0 377.492 3.583 20 30 GHEDRO C=CCNC(=O)C[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000468592769 1015828959 /nfs/dbraw/zinc/82/89/59/1015828959.db2.gz VZMQVKHPNAIEPO-UHFFFAOYSA-N 1 0 375.266 3.633 20 30 GHEDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000545397723 1015840723 /nfs/dbraw/zinc/84/07/23/1015840723.db2.gz KKECTJIIBVBVQP-YLJYHZDGSA-N 1 0 394.519 3.692 20 30 GHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000468890179 1016172140 /nfs/dbraw/zinc/17/21/40/1016172140.db2.gz IOLMODNHGRMYCT-JCGVRSQUSA-N 1 0 396.329 3.551 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468991401 1016312594 /nfs/dbraw/zinc/31/25/94/1016312594.db2.gz LFWYHAUQCRRCBO-UHFFFAOYSA-N 1 0 388.471 3.937 20 30 GHEDRO C=C(C)COCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000546164254 1016572091 /nfs/dbraw/zinc/57/20/91/1016572091.db2.gz DDQUREBSKGYAHY-UHFFFAOYSA-N 1 0 395.341 3.544 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001226999818 1032228455 /nfs/dbraw/zinc/22/84/55/1032228455.db2.gz ZJCYRXPHOVBBJM-SFHVURJKSA-N 1 0 376.378 3.857 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130240 1032298517 /nfs/dbraw/zinc/29/85/17/1032298517.db2.gz JQQAPNMCAGQQFQ-UHFFFAOYSA-N 1 0 378.520 3.567 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)c(Br)cc1O ZINC001277191377 1032332787 /nfs/dbraw/zinc/33/27/87/1032332787.db2.gz JSUYAKRVMLSEIJ-IBGZPJMESA-N 1 0 393.325 3.606 20 30 GHEDRO C#CCN1CCC[C@H]1C(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC001154900896 1032335044 /nfs/dbraw/zinc/33/50/44/1032335044.db2.gz KSHNWHIZFWQMAY-IBGZPJMESA-N 1 0 389.337 3.561 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2NC[C@]2(F)CCCC[NH2+]C2)cc1 ZINC001155123889 1032423835 /nfs/dbraw/zinc/42/38/35/1032423835.db2.gz MUTJVPCCKIGDTC-SFHVURJKSA-N 1 0 375.835 3.688 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N(C)CCc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC001221581354 1032469043 /nfs/dbraw/zinc/46/90/43/1032469043.db2.gz WKOYZXIOTDSEFJ-QHCPKHFHSA-N 1 0 390.531 3.888 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cnc2Cl)cc1 ZINC001155592487 1032590537 /nfs/dbraw/zinc/59/05/37/1032590537.db2.gz PQRVTXMXIFLKSH-JLSDUUJJSA-N 1 0 388.849 3.911 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155602703 1032594764 /nfs/dbraw/zinc/59/47/64/1032594764.db2.gz OSBPOKLXZMMEEZ-BUXKBTBVSA-N 1 0 391.302 3.984 20 30 GHEDRO COc1cccc(N(C2CC[NH2+]CC2)C(F)(F)c2cc(Cl)nc(C#N)c2)c1 ZINC001155606404 1032598496 /nfs/dbraw/zinc/59/84/96/1032598496.db2.gz TZKRGGUSALKHLV-UHFFFAOYSA-N 1 0 392.837 3.923 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(F)ccc(F)c3Br)CC2)C1=O ZINC001276445887 1032625011 /nfs/dbraw/zinc/62/50/11/1032625011.db2.gz NVAMAIKJHRLDFZ-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO Cc1nc(O[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828571 1032637782 /nfs/dbraw/zinc/63/77/82/1032637782.db2.gz RZIBFUGCBXHJKD-VQIMIIECSA-N 1 0 385.895 3.892 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926025256 1017202992 /nfs/dbraw/zinc/20/29/92/1017202992.db2.gz OOVFPSOXCILMIX-FRRDWIJNSA-N 1 0 386.443 3.824 20 30 GHEDRO C=CCOCC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000559186051 1017388512 /nfs/dbraw/zinc/38/85/12/1017388512.db2.gz KPDWBCFBLPIPHP-UHFFFAOYSA-N 1 0 392.297 3.881 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001227925055 1032697053 /nfs/dbraw/zinc/69/70/53/1032697053.db2.gz SLFPAIBSEFGLFZ-NRFANRHFSA-N 1 0 383.536 3.543 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(OC)c1C ZINC001204262865 1032707820 /nfs/dbraw/zinc/70/78/20/1032707820.db2.gz HKZBPMXTZCSTLY-UHFFFAOYSA-N 1 0 396.487 3.936 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)N(C)Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000929768075 1017738730 /nfs/dbraw/zinc/73/87/30/1017738730.db2.gz HGJMINVDBPZAEA-IYBDPMFKSA-N 1 0 398.532 3.893 20 30 GHEDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561186782 1017804480 /nfs/dbraw/zinc/80/44/80/1017804480.db2.gz ZXVZNFMFUCDVQH-AUUYWEPGSA-N 1 0 384.430 3.583 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000931487838 1017989335 /nfs/dbraw/zinc/98/93/35/1017989335.db2.gz IQFFSWPKBKQCRD-SFHVURJKSA-N 1 0 379.464 3.692 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](c1ccccn1)C1CC1)CCCC2 ZINC000932379059 1018246032 /nfs/dbraw/zinc/24/60/32/1018246032.db2.gz GMYIHVBXMWTDNB-HXUWFJFHSA-N 1 0 380.517 3.963 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cc(Cl)cc(Cl)c1F ZINC000932566320 1018466734 /nfs/dbraw/zinc/46/67/34/1018466734.db2.gz BUYOTNAQAPRJLZ-DGCLKSJQSA-N 1 0 375.271 3.854 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1C ZINC000932574346 1018475399 /nfs/dbraw/zinc/47/53/99/1018475399.db2.gz UVALQWUGZMPDPE-YJBOKZPZSA-N 1 0 386.455 3.892 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(F)cc1 ZINC000562878419 1018742187 /nfs/dbraw/zinc/74/21/87/1018742187.db2.gz FBJXMSCWYOGBOL-INIZCTEOSA-N 1 0 392.381 3.723 20 30 GHEDRO C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000932918696 1018752190 /nfs/dbraw/zinc/75/21/90/1018752190.db2.gz KMXPRBYJZRLOPL-MAUKXSAKSA-N 1 0 382.957 3.870 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000935492134 1019006533 /nfs/dbraw/zinc/00/65/33/1019006533.db2.gz MBKFDQXOSRPTKP-QGZVFWFLSA-N 1 0 376.504 3.988 20 30 GHEDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccccc4C#N)C3)C2)cc1 ZINC001204367718 1032808236 /nfs/dbraw/zinc/80/82/36/1032808236.db2.gz PGNZBQCSCHQNLR-DEOSSOPVSA-N 1 0 391.515 3.686 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC2(CCOCC2)O1 ZINC000567557316 1019312764 /nfs/dbraw/zinc/31/27/64/1019312764.db2.gz SVWSKWYNRGAGEW-LJQANCHMSA-N 1 0 392.499 3.907 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)cc1 ZINC000567684500 1019331602 /nfs/dbraw/zinc/33/16/02/1019331602.db2.gz KRSNTOFZXANWCO-QGZVFWFLSA-N 1 0 388.870 3.606 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001155993348 1032827700 /nfs/dbraw/zinc/82/77/00/1032827700.db2.gz IFTVJTSSRAJMKJ-UHFFFAOYSA-N 1 0 381.867 3.994 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cn(C(C)=O)c4ccccc34)C2)C1 ZINC001204405875 1032831457 /nfs/dbraw/zinc/83/14/57/1032831457.db2.gz BNBSOLRAGUNQQY-HSZRJFAPSA-N 1 0 395.503 3.912 20 30 GHEDRO C[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[N@@H+](C2CCC2)C1 ZINC000572193137 1019750618 /nfs/dbraw/zinc/75/06/18/1019750618.db2.gz LAYUPAJVFBCJQF-GOSISDBHSA-N 1 0 378.520 3.891 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000577041103 1020111459 /nfs/dbraw/zinc/11/14/59/1020111459.db2.gz OKWOSGVXDIWZMR-ACBHZAAOSA-N 1 0 380.496 3.673 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000047960161 1020170184 /nfs/dbraw/zinc/17/01/84/1020170184.db2.gz LCXOWDWGCKUEOU-LJQANCHMSA-N 1 0 396.535 3.953 20 30 GHEDRO C#CCSCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000779115707 1020382646 /nfs/dbraw/zinc/38/26/46/1020382646.db2.gz HIWFWYQADJXHTL-OAQYLSRUSA-N 1 0 387.570 3.752 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(NCC3([NH+](C)C)CCN(C)CC3)c12 ZINC001156187150 1032916185 /nfs/dbraw/zinc/91/61/85/1032916185.db2.gz CYKZRGBNHVIGRR-UHFFFAOYSA-N 1 0 389.906 3.645 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1OC ZINC000191762527 1020808091 /nfs/dbraw/zinc/80/80/91/1020808091.db2.gz JRAJRRXIPRNSGC-HXUWFJFHSA-N 1 0 398.478 3.680 20 30 GHEDRO C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@H](CC#N)C[N+](C)(C)C)c1 ZINC001228455364 1032942880 /nfs/dbraw/zinc/94/28/80/1032942880.db2.gz PZIDQPWRSUCJBT-HXUWFJFHSA-N 1 0 379.480 3.850 20 30 GHEDRO COC(=O)C1=C[C@@H](Oc2ccc(/C=C/C(C)=O)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001228495212 1032957670 /nfs/dbraw/zinc/95/76/70/1032957670.db2.gz YQLCAVAAHKCGKD-UPWIVDSGSA-N 1 0 391.467 3.651 20 30 GHEDRO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccc(C#N)cc1 ZINC000903079353 1021575513 /nfs/dbraw/zinc/57/55/13/1021575513.db2.gz MLUFCBHUCPXXNU-SNRMKQJTSA-N 1 0 385.508 3.671 20 30 GHEDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccccc3C=Nc3ccccc3)C[C@H]1[N@@H+]2C ZINC001228565503 1032989893 /nfs/dbraw/zinc/98/98/93/1032989893.db2.gz SGAIHDWUBDYDCY-NNXSRULWSA-N 1 0 378.472 3.983 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC[C@]1(C)O ZINC001140437075 1021703775 /nfs/dbraw/zinc/70/37/75/1021703775.db2.gz BHNYYMDQKKWMOL-NYHFZMIOSA-N 1 0 383.492 3.889 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c2cc(C#N)ccc21 ZINC001140437874 1021707443 /nfs/dbraw/zinc/70/74/43/1021707443.db2.gz RQOLIPOZOJMCHY-QFIPXVFZSA-N 1 0 381.476 3.909 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001140440008 1021713493 /nfs/dbraw/zinc/71/34/93/1021713493.db2.gz UFNDRBUKZUKWPI-IBGZPJMESA-N 1 0 394.519 3.966 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@@H]21 ZINC001140441248 1021715828 /nfs/dbraw/zinc/71/58/28/1021715828.db2.gz LZMYRBMMDWTEPR-UWJYYQICSA-N 1 0 394.519 3.822 20 30 GHEDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140441380 1021715906 /nfs/dbraw/zinc/71/59/06/1021715906.db2.gz KCBVUWWJDOZSFW-ROUUACIJSA-N 1 0 380.492 3.575 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@H]3CC[C@@H](CC#N)C3)sc2C1 ZINC000835054281 1021822138 /nfs/dbraw/zinc/82/21/38/1021822138.db2.gz IQNMOVDNDSWHPI-KBPBESRZSA-N 1 0 376.526 3.608 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnn1-c1ccccc1)[C@H]2CC ZINC001140525754 1021919794 /nfs/dbraw/zinc/91/97/94/1021919794.db2.gz RSBCKMXVROHDPU-GMAHTHKFSA-N 1 0 378.520 3.794 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(Nc3cc[nH+]c(CO)c3)c2)C1 ZINC001204653358 1033015626 /nfs/dbraw/zinc/01/56/26/1033015626.db2.gz GFSGXTMOTLUEPQ-UHFFFAOYSA-N 1 0 380.448 3.523 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](Cc3ccc(C#N)nc3)C2)C1 ZINC001140541554 1021940552 /nfs/dbraw/zinc/94/05/52/1021940552.db2.gz LEAHGCLZFZDCNL-RBUKOAKNSA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cn1 ZINC001140546246 1021946613 /nfs/dbraw/zinc/94/66/13/1021946613.db2.gz AWUWDLGKLSYORQ-XMMPIXPASA-N 1 0 396.494 3.757 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000827228508 1021974250 /nfs/dbraw/zinc/97/42/50/1021974250.db2.gz SZJLFGGQZLPYNQ-JTHBVZDNSA-N 1 0 375.516 3.915 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1 ZINC001140599301 1022043330 /nfs/dbraw/zinc/04/33/30/1022043330.db2.gz WTMZHZUTZXGATC-UHFFFAOYSA-N 1 0 385.895 3.672 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)cc1 ZINC001228656028 1033032239 /nfs/dbraw/zinc/03/22/39/1033032239.db2.gz RQGMBCXXNDQGLI-SLFFLAALSA-N 1 0 375.516 3.861 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(Cl)ccc1N)CC2 ZINC001140716062 1022352547 /nfs/dbraw/zinc/35/25/47/1022352547.db2.gz CLNRMUJXCDIFIN-UHFFFAOYSA-N 1 0 377.916 3.923 20 30 GHEDRO CC(C)[N@H+]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)[C@@H](C)C1 ZINC000754256540 1022564732 /nfs/dbraw/zinc/56/47/32/1022564732.db2.gz BAXZWTINPUMFDP-LBPRGKRZSA-N 1 0 378.402 3.685 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cccc(C#N)c4Cl)C3)CC2=O)c1 ZINC001140811509 1022600613 /nfs/dbraw/zinc/60/06/13/1022600613.db2.gz SVWYQYNOSRTVFN-JOCHJYFZSA-N 1 0 390.874 3.712 20 30 GHEDRO N#Cc1cccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1Cl ZINC001140813505 1022611420 /nfs/dbraw/zinc/61/14/20/1022611420.db2.gz KNKXUJNWOGVBEF-UYAOXDASSA-N 1 0 385.870 3.688 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000754655174 1022813110 /nfs/dbraw/zinc/81/31/10/1022813110.db2.gz FSHQDHDYAPJOFC-HNNXBMFYSA-N 1 0 388.537 3.672 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1O ZINC000754727791 1022861936 /nfs/dbraw/zinc/86/19/36/1022861936.db2.gz PZHACALPKBWASG-SFHVURJKSA-N 1 0 395.503 3.683 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001156530309 1033087145 /nfs/dbraw/zinc/08/71/45/1033087145.db2.gz JDMGDYGXHXGRLS-IBGZPJMESA-N 1 0 377.879 3.826 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000836384245 1022932095 /nfs/dbraw/zinc/93/20/95/1022932095.db2.gz HJBAEYIIZCXNAP-UHFFFAOYSA-N 1 0 383.414 3.579 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 ZINC001204826014 1033108481 /nfs/dbraw/zinc/10/84/81/1033108481.db2.gz WKWJQUBMIXLBIG-UHFFFAOYSA-N 1 0 390.940 3.772 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)n2)cc1 ZINC000755789421 1023379330 /nfs/dbraw/zinc/37/93/30/1023379330.db2.gz JACCGNCJTXJVTF-FQEVSTJZSA-N 1 0 382.471 3.894 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000756046255 1023495178 /nfs/dbraw/zinc/49/51/78/1023495178.db2.gz OAUCQENNJMNCDH-RBBKRZOGSA-N 1 0 375.476 3.625 20 30 GHEDRO COC(=O)[C@@H]1CCN(Cc2sc(N)c(C#N)c2Cl)[C@@H](c2ccccc2)C1 ZINC001141113058 1023529719 /nfs/dbraw/zinc/52/97/19/1023529719.db2.gz AXIRCVOWBAARPL-UKRRQHHQSA-N 1 0 389.908 3.982 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000756709233 1023784043 /nfs/dbraw/zinc/78/40/43/1023784043.db2.gz IPQXHJWIFBPTDU-IEBWSBKVSA-N 1 0 386.517 3.628 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccnc3ccc(OC)cc13)CC2 ZINC001141147795 1023969294 /nfs/dbraw/zinc/96/92/94/1023969294.db2.gz GAGVPFZMYAEEQQ-HSZRJFAPSA-N 1 0 379.504 3.777 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163487 1023989945 /nfs/dbraw/zinc/98/99/45/1023989945.db2.gz GQUAZHQLJIHDFS-NQIIRXRSSA-N 1 0 391.462 3.868 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(F)cc3C#N)C[C@@H]21 ZINC001141164837 1023992597 /nfs/dbraw/zinc/99/25/97/1023992597.db2.gz KZJCRPYDSHGJFP-OFAXGOBFSA-N 1 0 378.495 3.825 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(-n3ccnc3)c1)[C@@H]2CC ZINC001141239249 1024240689 /nfs/dbraw/zinc/24/06/89/1024240689.db2.gz KWTQTOSMVGZMFU-GGAORHGYSA-N 1 0 378.520 3.794 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000837282493 1024318789 /nfs/dbraw/zinc/31/87/89/1024318789.db2.gz YQRSXRARKILIMB-IBGZPJMESA-N 1 0 384.911 3.615 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@@]4(CCCC(=O)N4)C3)cc2)cc1 ZINC001141291039 1024419455 /nfs/dbraw/zinc/41/94/55/1024419455.db2.gz BMFQZTIFFKLSNY-QHCPKHFHSA-N 1 0 375.472 3.985 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@]4(CCN4c4ncccn4)C3)cc2)cc1 ZINC001141291402 1024420235 /nfs/dbraw/zinc/42/02/35/1024420235.db2.gz HKQBLGPOQWTBJJ-DEOSSOPVSA-N 1 0 397.482 3.995 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC4(CCCC(=O)N4)CC3)cc2)cc1 ZINC001141291681 1024421767 /nfs/dbraw/zinc/42/17/67/1024421767.db2.gz LKLMBSYWXZJYRN-UHFFFAOYSA-N 1 0 375.472 3.985 20 30 GHEDRO Cc1nc(C#Cc2ccnc(-n3cccc3C[NH3+])c2)c(C)n1-c1ccc(F)cc1 ZINC001156731431 1033211116 /nfs/dbraw/zinc/21/11/16/1033211116.db2.gz ZFKISKKLIYITFY-UHFFFAOYSA-N 1 0 385.446 3.672 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cccc4nccnc34)C2)CC1 ZINC001138298849 1024583881 /nfs/dbraw/zinc/58/38/81/1024583881.db2.gz GQMCEDZNFXKIKC-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO COc1cc2cccnc2c(N(c2nccc(C#N)c2F)[C@@H](C)CCC[NH3+])c1 ZINC001156750836 1033222441 /nfs/dbraw/zinc/22/24/41/1033222441.db2.gz UXLCKWIHVJDUHI-AWEZNQCLSA-N 1 0 379.439 3.915 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)CCOCC1 ZINC000831586266 1024664844 /nfs/dbraw/zinc/66/48/44/1024664844.db2.gz NHZKUCSGRCFHAF-NFDBJIOVSA-N 1 0 395.547 3.504 20 30 GHEDRO C#CCOc1ccc(CN2CCC([N@H+](C)Cc3cccc(F)c3)CC2)cc1OC ZINC001138347085 1024708152 /nfs/dbraw/zinc/70/81/52/1024708152.db2.gz TUICYPCQYUAQBV-UHFFFAOYSA-N 1 0 396.506 3.943 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)cc1OC ZINC001138348656 1024712435 /nfs/dbraw/zinc/71/24/35/1024712435.db2.gz XREZEVRBHXYXRE-HXUWFJFHSA-N 1 0 379.456 3.831 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCCN4C)C2)C1 ZINC001138354733 1024716420 /nfs/dbraw/zinc/71/64/20/1024716420.db2.gz SATHSTYJMSVOCY-QHCPKHFHSA-N 1 0 383.536 3.680 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(N(CC)CC)cc1OC)C2 ZINC001138389561 1024766086 /nfs/dbraw/zinc/76/60/86/1024766086.db2.gz PWBJYRNKVADNOB-GMAHTHKFSA-N 1 0 388.552 3.868 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3sc4ccccc4c3C)CC2)C1=O ZINC001138462029 1024891110 /nfs/dbraw/zinc/89/11/10/1024891110.db2.gz WDFLTTNVMWSGIA-UHFFFAOYSA-N 1 0 383.561 3.504 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC3CCOCC3)cc1)C2 ZINC001141410301 1024923741 /nfs/dbraw/zinc/92/37/41/1024923741.db2.gz HGRNPIWSVPYTIK-XZOQPEGZSA-N 1 0 387.520 3.571 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001138557644 1025019626 /nfs/dbraw/zinc/01/96/26/1025019626.db2.gz OFAIHFRHYPYXSN-UHFFFAOYSA-N 1 0 384.520 3.922 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)cc1 ZINC001138559082 1025022061 /nfs/dbraw/zinc/02/20/61/1025022061.db2.gz OECGMTJQVHBBCJ-HSZRJFAPSA-N 1 0 388.511 3.679 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cncn1Cc1ccccc1)C2 ZINC001138562303 1025027785 /nfs/dbraw/zinc/02/77/85/1025027785.db2.gz NGBSKXPREAQRGL-PKTZIBPZSA-N 1 0 381.520 3.505 20 30 GHEDRO COc1cc(C#N)c(Nc2ccc(C3([NH+]4CCN(C)CC4)CC3)cc2)cc1OC ZINC001205108695 1033257230 /nfs/dbraw/zinc/25/72/30/1033257230.db2.gz QSAKZFFNWDLTIM-UHFFFAOYSA-N 1 0 392.503 3.556 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC)C2)c1O ZINC001138627100 1025125139 /nfs/dbraw/zinc/12/51/39/1025125139.db2.gz WYHPCKAUGGKABD-FQEVSTJZSA-N 1 0 381.520 3.863 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c1O ZINC001138626779 1025125980 /nfs/dbraw/zinc/12/59/80/1025125980.db2.gz OKXFKQZPTSALMZ-LADGPHEKSA-N 1 0 394.515 3.856 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1O ZINC001138627306 1025126983 /nfs/dbraw/zinc/12/69/83/1025126983.db2.gz BVXWCZYZTTWBEX-RBBKRZOGSA-N 1 0 382.479 3.597 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CCN(Cc3ccc(C(=O)OC)cc3)C[C@@H]2C)c1O ZINC001138628188 1025128644 /nfs/dbraw/zinc/12/86/44/1025128644.db2.gz QGGZXNZLGJZVFU-SFHVURJKSA-N 1 0 394.515 3.614 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030552 1025153466 /nfs/dbraw/zinc/15/34/66/1025153466.db2.gz NQGUXISAFJHGGK-YLJYHZDGSA-N 1 0 399.535 3.873 20 30 GHEDRO C=C(C)COc1ccccc1CN1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001138660806 1025179207 /nfs/dbraw/zinc/17/92/07/1025179207.db2.gz DIBKTQTUWUTKMG-PKTZIBPZSA-N 1 0 393.531 3.512 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001138661522 1025181317 /nfs/dbraw/zinc/18/13/17/1025181317.db2.gz BCNOGXVBZITMCX-HSZRJFAPSA-N 1 0 377.488 3.666 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001138662233 1025182568 /nfs/dbraw/zinc/18/25/68/1025182568.db2.gz QYBVMNSYSUGYFM-RBBKRZOGSA-N 1 0 394.490 3.871 20 30 GHEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001138664114 1025185425 /nfs/dbraw/zinc/18/54/25/1025185425.db2.gz JBDOCUNRNUAEJW-WKCHPHFGSA-N 1 0 380.488 3.619 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccccc2N2CCC(O)CC2)CC1 ZINC001138762833 1025321624 /nfs/dbraw/zinc/32/16/24/1025321624.db2.gz JVLJLYMWFJINSS-UHFFFAOYSA-N 1 0 391.515 3.563 20 30 GHEDRO C#Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000838724546 1025325557 /nfs/dbraw/zinc/32/55/57/1025325557.db2.gz RLIGWAPFMIFEJL-XXBNENTESA-N 1 0 375.516 3.862 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cnn(Cc4ccccc4)c3)C2)C1 ZINC001138763462 1025325761 /nfs/dbraw/zinc/32/57/61/1025325761.db2.gz PAJFSMZWGKOOJT-HSZRJFAPSA-N 1 0 394.519 3.542 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3cccc(F)c3)[NH+](C)C)c2c1 ZINC001161924730 1025497416 /nfs/dbraw/zinc/49/74/16/1025497416.db2.gz ZSQRXNCTZRCBCC-LJQANCHMSA-N 1 0 394.450 3.978 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC001138878196 1025511144 /nfs/dbraw/zinc/51/11/44/1025511144.db2.gz BTUHDNQUDHNPRN-IRLDBZIGSA-N 1 0 385.483 3.790 20 30 GHEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000839089607 1025585502 /nfs/dbraw/zinc/58/55/02/1025585502.db2.gz HJVHGPRWEZOLCG-QZTJIDSGSA-N 1 0 379.545 3.570 20 30 GHEDRO N#Cc1ccc(C(F)(F)N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)nc1Cl ZINC001162195228 1025661652 /nfs/dbraw/zinc/66/16/52/1025661652.db2.gz PNNUTSVUZWIMAO-WKILWMFISA-N 1 0 391.853 3.823 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839158872 1025661688 /nfs/dbraw/zinc/66/16/88/1025661688.db2.gz YQLNFJIMJWJJRK-MGPUTAFESA-N 1 0 380.479 3.523 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1C#N ZINC000839186724 1025700492 /nfs/dbraw/zinc/70/04/92/1025700492.db2.gz OIDNTEQQFDIBNT-BHIYHBOVSA-N 1 0 385.508 3.692 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1C#N ZINC000839186727 1025700774 /nfs/dbraw/zinc/70/07/74/1025700774.db2.gz OIDNTEQQFDIBNT-QXAKKESOSA-N 1 0 385.508 3.692 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC001139032284 1025803150 /nfs/dbraw/zinc/80/31/50/1025803150.db2.gz JDBGYOWXKSUQIU-XPNTWCBSSA-N 1 0 382.504 3.708 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001139032607 1025806337 /nfs/dbraw/zinc/80/63/37/1025806337.db2.gz QUJIYVXBFUFVOL-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001162664643 1025860464 /nfs/dbraw/zinc/86/04/64/1025860464.db2.gz YRASUYXQGMOOGE-JOCHJYFZSA-N 1 0 376.460 3.959 20 30 GHEDRO Cc1nc(C#N)cc(N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC001162781834 1025916963 /nfs/dbraw/zinc/91/69/63/1025916963.db2.gz YPSGCVDVVZCYDU-UHFFFAOYSA-N 1 0 378.307 3.922 20 30 GHEDRO N#CCCN(C(=O)c1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)nc1)c1ccccc1 ZINC001162846888 1025938523 /nfs/dbraw/zinc/93/85/23/1025938523.db2.gz CGIOYHUZXYUIEC-FQEVSTJZSA-N 1 0 397.482 3.664 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(Nc2ccc([C@H](C[NH3+])CO)cc2)c1C#N ZINC001163054085 1026026958 /nfs/dbraw/zinc/02/69/58/1026026958.db2.gz WNEVVKDXJCZUIV-MRXNPFEDSA-N 1 0 391.500 3.515 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163166808 1026073010 /nfs/dbraw/zinc/07/30/10/1026073010.db2.gz LEMBSJYRHCXDRA-XDMRBOTDSA-N 1 0 395.265 3.589 20 30 GHEDRO C[C@H]1CN(Cc2cc(C#N)ccc2Br)CCC[C@]1(O)C(F)(F)F ZINC001141654548 1026090125 /nfs/dbraw/zinc/09/01/25/1026090125.db2.gz CERLPAIZDUGDBE-XHDPSFHLSA-N 1 0 391.231 3.846 20 30 GHEDRO C=C(C)C[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccc(CO)o1 ZINC000839600363 1026098441 /nfs/dbraw/zinc/09/84/41/1026098441.db2.gz BACYZLZQBBTUNJ-QGZVFWFLSA-N 1 0 378.513 3.797 20 30 GHEDRO CCC[N@H+](Cc1cc(C#N)ccc1Br)C1CCN(C(C)=O)CC1 ZINC001141662387 1026174847 /nfs/dbraw/zinc/17/48/47/1026174847.db2.gz HJPUTDBRUJTCTN-UHFFFAOYSA-N 1 0 378.314 3.544 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C1 ZINC001139358717 1026230097 /nfs/dbraw/zinc/23/00/97/1026230097.db2.gz VKQAXNGXSGASAN-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001139362169 1026237334 /nfs/dbraw/zinc/23/73/34/1026237334.db2.gz GPHNLSWLDXTQDJ-UHFFFAOYSA-N 1 0 388.471 3.796 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139403079 1026274192 /nfs/dbraw/zinc/27/41/92/1026274192.db2.gz HEJGYUJGCWCYSB-ISKFKSNPSA-N 1 0 389.499 3.946 20 30 GHEDRO COc1ccc(CN2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)cc1 ZINC001139407081 1026280894 /nfs/dbraw/zinc/28/08/94/1026280894.db2.gz OZRKEKYVBLQYMZ-UHFFFAOYSA-N 1 0 398.510 3.947 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1F ZINC001139528439 1026387154 /nfs/dbraw/zinc/38/71/54/1026387154.db2.gz SJBWSWWOSQBZBC-UNMCSNQZSA-N 1 0 381.451 3.542 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)cc1F ZINC001139528985 1026387718 /nfs/dbraw/zinc/38/77/18/1026387718.db2.gz BCRYJBKHFNWBKY-NHCUHLMSSA-N 1 0 379.435 3.683 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3ncc(C(F)(F)F)cc13)C2 ZINC001139538333 1026399656 /nfs/dbraw/zinc/39/96/56/1026399656.db2.gz OFLAKESWXZLHND-LPHOPBHVSA-N 1 0 395.425 3.908 20 30 GHEDRO CN(C)c1ccc([C@@H](CNc2nc(C(F)(F)F)ccc2C#N)[NH+](C)C)cc1 ZINC001164317826 1026483621 /nfs/dbraw/zinc/48/36/21/1026483621.db2.gz JBQAVGJXWIVJML-MRXNPFEDSA-N 1 0 377.414 3.753 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3cc(C#N)ccc3F)C1)C2 ZINC001139649650 1026511021 /nfs/dbraw/zinc/51/10/21/1026511021.db2.gz VZIPXNWNPBYNHW-AUSIDOKSSA-N 1 0 378.447 3.792 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2CCC(C[NH3+])(c3ccccc3)CC2)nc1Cl ZINC001164435836 1026512932 /nfs/dbraw/zinc/51/29/32/1026512932.db2.gz QRNGEQYXCYCKOT-UHFFFAOYSA-N 1 0 376.838 3.648 20 30 GHEDRO C[C@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164477350 1026521142 /nfs/dbraw/zinc/52/11/42/1026521142.db2.gz DIISMYLOTGKUNV-GXTWGEPZSA-N 1 0 391.853 3.777 20 30 GHEDRO CCc1nc(C#N)c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1Cl ZINC001164486475 1026527355 /nfs/dbraw/zinc/52/73/55/1026527355.db2.gz OLGINNQFYCSVHR-JFIYKMOQSA-N 1 0 381.911 3.887 20 30 GHEDRO N#CCc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC001164493824 1026531943 /nfs/dbraw/zinc/53/19/43/1026531943.db2.gz YDOAGRQLMFMASK-CEWLAPEOSA-N 1 0 376.460 3.983 20 30 GHEDRO CN1c2ccccc2C2(CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)CC1=O ZINC001139705544 1026551114 /nfs/dbraw/zinc/55/11/14/1026551114.db2.gz UVAMEEYLDJKDRX-UHFFFAOYSA-N 1 0 384.483 3.940 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC(NC(=O)c4cccc(F)c4)CC3)c[nH]c21 ZINC001139707217 1026551976 /nfs/dbraw/zinc/55/19/76/1026551976.db2.gz SOXINHUSIYOYJD-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO 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GHEDRO C[N@H+](CCNC(=O)c1cccc(CNc2ncccc2C#N)c1)C1CCCCC1 ZINC001142374294 1028778216 /nfs/dbraw/zinc/77/82/16/1028778216.db2.gz DFINNTIEFOYAHR-UHFFFAOYSA-N 1 0 391.519 3.560 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C(C)C ZINC001215100661 1029040074 /nfs/dbraw/zinc/04/00/74/1029040074.db2.gz ARIVAUNXASNYIS-HXUWFJFHSA-N 1 0 384.524 3.671 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1nc(C#N)cs1 ZINC000842074897 1029055838 /nfs/dbraw/zinc/05/58/38/1029055838.db2.gz AYGKSJHSPKGPFC-HNNXBMFYSA-N 1 0 385.489 3.625 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001215189148 1029079965 /nfs/dbraw/zinc/07/99/65/1029079965.db2.gz RFMPWBVZTZWLCW-OAQYLSRUSA-N 1 0 376.504 3.723 20 30 GHEDRO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000842164842 1029120421 /nfs/dbraw/zinc/12/04/21/1029120421.db2.gz DSIDTINXGVADHJ-JZXOWHBKSA-N 1 0 380.492 3.658 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(N)c(C(F)(F)F)c3)cc2C#N)CC1 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C=C1CC[NH2+]C[C@H]1Oc1ccc(S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC001218207316 1030829775 /nfs/dbraw/zinc/82/97/75/1030829775.db2.gz PDFNPTFNLOBMJB-OAQYLSRUSA-N 1 0 387.501 3.604 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)ccc1C ZINC001151292851 1030848523 /nfs/dbraw/zinc/84/85/23/1030848523.db2.gz RXOZBOTZQWKFHY-HXUWFJFHSA-N 1 0 377.488 3.699 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)c2C1=O ZINC001218250187 1030853512 /nfs/dbraw/zinc/85/35/12/1030853512.db2.gz LCAADIRWPQYPKA-OIISXLGYSA-N 1 0 381.472 3.963 20 30 GHEDRO COc1cc(O)cc(O[C@H]2C[NH2+]CCC23CC3)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218406760 1030925104 /nfs/dbraw/zinc/92/51/04/1030925104.db2.gz YQGODYCVGDNGFL-XBGMYJNYSA-N 1 0 395.455 3.523 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(OC)c1 ZINC001218449770 1030940840 /nfs/dbraw/zinc/94/08/40/1030940840.db2.gz SORDXIHLJUYZAO-OJTBSQDFSA-N 1 0 385.504 3.946 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3C[NH2+]CCC3(F)F)c3ccccc23)ccc1F ZINC001218453717 1030942579 /nfs/dbraw/zinc/94/25/79/1030942579.db2.gz LABATGFIVZQCQL-IBGZPJMESA-N 1 0 398.388 3.607 20 30 GHEDRO CCN(CC)c1ccc2ccc(C(=O)Nc3sc4c(c3C#N)CC[NH2+]C4)cn21 ZINC001218556629 1030985586 /nfs/dbraw/zinc/98/55/86/1030985586.db2.gz VMMLAOUURJAQDI-UHFFFAOYSA-N 1 0 393.516 3.617 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001224417630 1030996139 /nfs/dbraw/zinc/99/61/39/1030996139.db2.gz VGOBCUIXKXPFBS-NRFANRHFSA-N 1 0 383.923 3.878 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1cccc(OC(F)(F)C(F)F)c1 ZINC001218815218 1031091982 /nfs/dbraw/zinc/09/19/82/1031091982.db2.gz CIZLTYSJFHQYKG-AWEZNQCLSA-N 1 0 395.356 3.694 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)CCC[NH2+]1 ZINC001218840259 1031107008 /nfs/dbraw/zinc/10/70/08/1031107008.db2.gz PEIRHFWEDODNKI-LJQANCHMSA-N 1 0 379.426 3.780 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(F)c([O-])c(Cl)c3)CC2)C1=O ZINC001276998387 1031127977 /nfs/dbraw/zinc/12/79/77/1031127977.db2.gz HOSSRVHOLMYUHY-HXUWFJFHSA-N 1 0 380.891 3.965 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)ccc1N1CCCCC1 ZINC001218945625 1031170298 /nfs/dbraw/zinc/17/02/98/1031170298.db2.gz ZJVJINHSZUEWGS-NRFANRHFSA-N 1 0 399.498 3.605 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@H]([NH3+])CCCc2ccccc2)ccc1N1CCCCC1 ZINC001218945706 1031170643 /nfs/dbraw/zinc/17/06/43/1031170643.db2.gz ZZGGHPJHYQAPCE-NRFANRHFSA-N 1 0 376.504 3.837 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(C)cc(C#N)c3)CC2)cc1 ZINC001219113421 1031257798 /nfs/dbraw/zinc/25/77/98/1031257798.db2.gz QYWFCFUIOBDIEO-UHFFFAOYSA-N 1 0 392.503 3.909 20 30 GHEDRO C#CCN(C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCCC1 ZINC001225137144 1031273988 /nfs/dbraw/zinc/27/39/88/1031273988.db2.gz LUHVDKXHIYWNLN-UHFFFAOYSA-N 1 0 397.563 3.681 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2cc3nc4cc(N(C)C)ccc4cc3cc2C)CCC[NH2+]1 ZINC001219211065 1031306243 /nfs/dbraw/zinc/30/62/43/1031306243.db2.gz UJRSMUSPZJHDBM-XMMPIXPASA-N 1 0 386.499 3.846 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)cc1 ZINC001219271121 1031336194 /nfs/dbraw/zinc/33/61/94/1031336194.db2.gz POYVJDHUZLINJZ-XXBNENTESA-N 1 0 375.472 3.713 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc3c(C#N)c[nH]c31)CC21CC[NH2+]CC1 ZINC001219765351 1031607576 /nfs/dbraw/zinc/60/75/76/1031607576.db2.gz ZVMOVCZUFUDSPZ-NRFANRHFSA-N 1 0 384.483 3.844 20 30 GHEDRO CCC[C@@H](C)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC001225825843 1031634222 /nfs/dbraw/zinc/63/42/22/1031634222.db2.gz XPLFXZMOLJSXIP-XWFIKDQWSA-N 1 0 399.531 3.880 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC001219912454 1031690878 /nfs/dbraw/zinc/69/08/78/1031690878.db2.gz QNEROSHPFNEDHD-RHSMWYFYSA-N 1 0 396.457 3.971 20 30 GHEDRO C[C@H](NC(=O)NC(C)(C)Cc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001226058723 1031764168 /nfs/dbraw/zinc/76/41/68/1031764168.db2.gz XQELYEVZDMTEIJ-PXNSSMCTSA-N 1 0 382.552 3.832 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC001220089680 1031780804 /nfs/dbraw/zinc/78/08/04/1031780804.db2.gz NZLPNRMKXHUNFU-CQSZACIVSA-N 1 0 396.240 3.851 20 30 GHEDRO CCCC[C@@H](CC)COCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001220130690 1031795519 /nfs/dbraw/zinc/79/55/19/1031795519.db2.gz BXWOIJRJEULOGP-QIJUGHKUSA-N 1 0 385.552 3.601 20 30 GHEDRO CCCC[C@H](CC)COCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001220130689 1031795594 /nfs/dbraw/zinc/79/55/94/1031795594.db2.gz BXWOIJRJEULOGP-BWAGFHJFSA-N 1 0 385.552 3.601 20 30 GHEDRO O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001220179846 1031821298 /nfs/dbraw/zinc/82/12/98/1031821298.db2.gz UTARGMDVADAMSU-FQEVSTJZSA-N 1 0 394.474 3.972 20 30 GHEDRO O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001220286487 1031881163 /nfs/dbraw/zinc/88/11/63/1031881163.db2.gz KNVBKQMNYMZGOY-IRXDYDNUSA-N 1 0 394.858 3.516 20 30 GHEDRO C[N@@H+]1CCC[C@@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001229207476 1033341903 /nfs/dbraw/zinc/34/19/03/1033341903.db2.gz HHNRJPSIKJOVSS-YQODDJSKSA-N 1 0 381.428 3.577 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)nc3)C2)C1 ZINC001205359081 1033375269 /nfs/dbraw/zinc/37/52/69/1033375269.db2.gz NQSGBULJCHGAGF-SFHVURJKSA-N 1 0 383.414 3.711 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(-c2ccc(N3CC[NH2+]CC3)cc2)c1C#N ZINC001205378764 1033386575 /nfs/dbraw/zinc/38/65/75/1033386575.db2.gz RHLMAISKECFBAB-UHFFFAOYSA-N 1 0 387.512 3.814 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)cc(F)cc3Cl)CC2)C1=O ZINC001277374342 1033402619 /nfs/dbraw/zinc/40/26/19/1033402619.db2.gz MWDCHNVCWBBOKS-LJQANCHMSA-N 1 0 383.294 3.970 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)ccc1F ZINC001205467805 1033425745 /nfs/dbraw/zinc/42/57/45/1033425745.db2.gz XJLYGGLWPNNSJE-IFMALSPDSA-N 1 0 381.451 3.542 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)ccc1F ZINC001205466888 1033425800 /nfs/dbraw/zinc/42/58/00/1033425800.db2.gz ACUODXGEGOEEFF-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO C[N@@H+]1CCC[C@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001229586016 1033573592 /nfs/dbraw/zinc/57/35/92/1033573592.db2.gz AWSGXLVTJSPRNC-AUNFYEFLSA-N 1 0 383.444 3.563 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cnc1Cl ZINC001157434904 1033585824 /nfs/dbraw/zinc/58/58/24/1033585824.db2.gz NVLDVGDYPMUYAQ-QGZVFWFLSA-N 1 0 376.838 3.910 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(F)nc(C(F)(F)F)c3)cc2C#N)CC1 ZINC001213009041 1033616085 /nfs/dbraw/zinc/61/60/85/1033616085.db2.gz QBHQSEXIIBCFEZ-UHFFFAOYSA-N 1 0 379.361 3.607 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001229687577 1033640990 /nfs/dbraw/zinc/64/09/90/1033640990.db2.gz OWLZOMCVBSBTNA-QKYXPGDISA-N 1 0 397.471 3.866 20 30 GHEDRO Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(C#N)cc1N(C)C ZINC001205942452 1033647399 /nfs/dbraw/zinc/64/73/99/1033647399.db2.gz QQNFSBPWFHHQAW-KRWDZBQOSA-N 1 0 391.519 3.501 20 30 GHEDRO C[N@@H+]1CCc2cc(Cl)c(O[C@@H]3CCN(CC#N)C3)cc2[C@@H](c2ccccc2)C1 ZINC001229705389 1033654467 /nfs/dbraw/zinc/65/44/67/1033654467.db2.gz ZZGVEHIUEASWKX-TZIWHRDSSA-N 1 0 395.934 3.936 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc([C@H]3CCc4cncn43)c(F)c2)no1 ZINC001206100848 1033720944 /nfs/dbraw/zinc/72/09/44/1033720944.db2.gz WIRGSQBJJRMPQY-LJQANCHMSA-N 1 0 379.439 3.717 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC001206336031 1033801979 /nfs/dbraw/zinc/80/19/79/1033801979.db2.gz OFCXUZNIFAZJOY-SFHVURJKSA-N 1 0 396.915 3.923 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3c(Br)ccc(C)c3F)C2)C1=O ZINC001277443624 1033883382 /nfs/dbraw/zinc/88/33/82/1033883382.db2.gz REKBPISFUGIJPS-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO COc1cc(C(F)(F)N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c(C#N)c(Cl)n1 ZINC001158263452 1033993197 /nfs/dbraw/zinc/99/31/97/1033993197.db2.gz DDKOTKRCYASTLN-PIGZYNQJSA-N 1 0 386.874 3.798 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(-c3ccc(OC)cc3)on1)C2 ZINC001206824688 1034004337 /nfs/dbraw/zinc/00/43/37/1034004337.db2.gz YKKVALUYCXTNAG-PKTZIBPZSA-N 1 0 398.503 3.924 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cc(-c3ccc(OC)cc3)on1)C2 ZINC001206826322 1034008024 /nfs/dbraw/zinc/00/80/24/1034008024.db2.gz WKQNMLJELPUQBH-QHCPKHFHSA-N 1 0 395.503 3.883 20 30 GHEDRO C[N@@H+]1CCN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)C2(CCCC2)C1 ZINC001158410811 1034066646 /nfs/dbraw/zinc/06/66/46/1034066646.db2.gz YPQWAHQOADWCOA-UHFFFAOYSA-N 1 0 383.883 3.859 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2nc(Cl)c(C#N)cc2C#N)CC1 ZINC001158449246 1034083516 /nfs/dbraw/zinc/08/35/16/1034083516.db2.gz YEHOWOHNHKQLQK-UHFFFAOYSA-N 1 0 383.858 3.718 20 30 GHEDRO Cn1cc(C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cc1C#N ZINC001207105431 1034094816 /nfs/dbraw/zinc/09/48/16/1034094816.db2.gz XFBPJCYJJGTXKX-UHFFFAOYSA-N 1 0 396.498 3.986 20 30 GHEDRO C=CCSc1ncccc1C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158558460 1034154664 /nfs/dbraw/zinc/15/46/64/1034154664.db2.gz MJHHRFKFDAKYQK-KNQAVFIVSA-N 1 0 379.529 3.579 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](CCc1ccc(Br)cc1)CC2 ZINC001207380565 1034324478 /nfs/dbraw/zinc/32/44/78/1034324478.db2.gz SEZZAZSSJJGMBR-UHFFFAOYSA-N 1 0 377.326 3.635 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cc1C#N ZINC001231029273 1034348953 /nfs/dbraw/zinc/34/89/53/1034348953.db2.gz AALOHFRUNWVHRC-HXUWFJFHSA-N 1 0 384.863 3.580 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NCCC2CC[NH+](C(C)C)CC2)cc1OC ZINC001461900253 1069858816 /nfs/dbraw/zinc/85/88/16/1069858816.db2.gz OUYKURLNZHKHLP-VQHVLOKHSA-N 1 0 386.536 3.900 20 30 GHEDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2c(C#N)c(Cl)nc3cccc(Cl)c32)O1 ZINC001159245854 1034502936 /nfs/dbraw/zinc/50/29/36/1034502936.db2.gz WDCIATFWDNZWKR-LBTNJELSSA-N 1 0 395.290 3.550 20 30 GHEDRO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001207648655 1034510088 /nfs/dbraw/zinc/51/00/88/1034510088.db2.gz HENLFDGYZGQHST-CYFREDJKSA-N 1 0 397.563 3.954 20 30 GHEDRO COC(=O)c1c(C(F)(F)F)csc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159265656 1034511774 /nfs/dbraw/zinc/51/17/74/1034511774.db2.gz DSKFAMOWJOZBDH-UHFFFAOYSA-N 1 0 381.379 3.856 20 30 GHEDRO CCOC(=O)C1C[NH2+]CCC1=Nc1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001159459719 1034604077 /nfs/dbraw/zinc/60/40/77/1034604077.db2.gz ULXVXLVGJDOBKC-UHFFFAOYSA-N 1 0 391.258 3.636 20 30 GHEDRO Cc1cc(C#N)cc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC001159518921 1034634727 /nfs/dbraw/zinc/63/47/27/1034634727.db2.gz ARTJPRPMTFXPJK-HSZRJFAPSA-N 1 0 386.499 3.737 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OCCCOC)cc1)C2 ZINC001231505842 1034649636 /nfs/dbraw/zinc/64/96/36/1034649636.db2.gz RAMCMIOMHQNLRY-XZOQPEGZSA-N 1 0 389.536 3.676 20 30 GHEDRO N#Cc1ccc(C(F)(F)N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc1Cl ZINC001159651561 1034702694 /nfs/dbraw/zinc/70/26/94/1034702694.db2.gz DGLGIZCLEJRGNS-KRWDZBQOSA-N 1 0 390.865 3.953 20 30 GHEDRO CN(Cc1ccccc1)c1ccc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cn1 ZINC001159742824 1034731331 /nfs/dbraw/zinc/73/13/31/1034731331.db2.gz OWSSVBCBGRZUBD-UHFFFAOYSA-N 1 0 398.514 3.743 20 30 GHEDRO N#Cc1cc(Nc2ccc(Br)cc2F)ccc1N1CC[NH2+]CC1 ZINC001159748852 1034732018 /nfs/dbraw/zinc/73/20/18/1034732018.db2.gz LQTBQKJONCDYQO-UHFFFAOYSA-N 1 0 375.245 3.613 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(C)c3O)C[C@@H]2c2ccccc2)C1=O ZINC001231593001 1034748005 /nfs/dbraw/zinc/74/80/05/1034748005.db2.gz REBJRHIFYBANKD-QPPBQGQZSA-N 1 0 376.500 3.705 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(C)c(Br)cc3F)C2)C1=O ZINC001276557535 1034749483 /nfs/dbraw/zinc/74/94/83/1034749483.db2.gz CDGPFKVTNLBSIM-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO N#Cc1cc(I)ccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159826396 1034755326 /nfs/dbraw/zinc/75/53/26/1034755326.db2.gz VTMXLPJFEGJPAY-UHFFFAOYSA-N 1 0 375.213 3.552 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NC(=N)c2ccc(C(=O)OC)cc2)nc1 ZINC001159857213 1034765028 /nfs/dbraw/zinc/76/50/28/1034765028.db2.gz JMLYCTWWPDAEPJ-LJQANCHMSA-N 1 0 380.492 3.842 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)c2cc(C(=O)NC)ccc2NC3=O)CC1 ZINC001208176926 1034775455 /nfs/dbraw/zinc/77/54/55/1034775455.db2.gz KHRVRSSPMJECHX-GOSISDBHSA-N 1 0 393.531 3.635 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001231618582 1034775834 /nfs/dbraw/zinc/77/58/34/1034775834.db2.gz JMPZTHONQUTSJL-VXKWHMMOSA-N 1 0 377.488 3.574 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001231619122 1034776492 /nfs/dbraw/zinc/77/64/92/1034776492.db2.gz QRLYCAVWCUUDMB-UHFFFAOYSA-N 1 0 381.520 3.572 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1 ZINC001231622364 1034780713 /nfs/dbraw/zinc/78/07/13/1034780713.db2.gz XQIIKVIEFBFLFX-UHFFFAOYSA-N 1 0 382.504 3.711 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001231622962 1034782949 /nfs/dbraw/zinc/78/29/49/1034782949.db2.gz ODTCMQKAPSWQOQ-FQEVSTJZSA-N 1 0 398.478 3.988 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)c1 ZINC001231623064 1034783425 /nfs/dbraw/zinc/78/34/25/1034783425.db2.gz SICKOBBSIVGNBB-JOCHJYFZSA-N 1 0 376.500 3.890 20 30 GHEDRO C=CCOC(=O)[C@@H](N)CCCCNc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001159925200 1034789369 /nfs/dbraw/zinc/78/93/69/1034789369.db2.gz DEGSUOHERDSAAL-FQEVSTJZSA-N 1 0 392.503 3.723 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(Cc2csc(C)n2)C3)c1 ZINC001231656844 1034814244 /nfs/dbraw/zinc/81/42/44/1034814244.db2.gz HIFWMQMSYVEUKT-HSZRJFAPSA-N 1 0 395.572 3.547 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1(c3ccccc3)CCOCC1)CC2 ZINC001208227702 1034816543 /nfs/dbraw/zinc/81/65/43/1034816543.db2.gz VGEHZJWBZFRXSF-DEOSSOPVSA-N 1 0 382.548 3.768 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC(Oc3ccccc3C(=O)NCCC)CC2)c1 ZINC001231664733 1034819491 /nfs/dbraw/zinc/81/94/91/1034819491.db2.gz VREBZNQTPMNBLS-UHFFFAOYSA-N 1 0 376.500 3.851 20 30 GHEDRO Cc1cc(Nc2ccc3c(c2)CC[NH2+]C3)c(I)cc1C#N ZINC001160234148 1034911461 /nfs/dbraw/zinc/91/14/61/1034911461.db2.gz FBPCVEJXFGVVLK-UHFFFAOYSA-N 1 0 389.240 3.861 20 30 GHEDRO CCCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1 ZINC001160428914 1034971452 /nfs/dbraw/zinc/97/14/52/1034971452.db2.gz NDJZXXGFLUYORZ-OFNKIYASSA-N 1 0 375.516 3.908 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC001160552884 1035001212 /nfs/dbraw/zinc/00/12/12/1035001212.db2.gz XQBWQUDNLVQJEI-SFHVURJKSA-N 1 0 398.304 3.533 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)C[C@@H]([NH3+])Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001160566033 1035003603 /nfs/dbraw/zinc/00/36/03/1035003603.db2.gz LIWPTLBGUSINOQ-FQEVSTJZSA-N 1 0 397.469 3.578 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@H]3C[C@@H](c4ccccc4)CC[NH2+]3)CC2)cc1 ZINC001160569414 1035004615 /nfs/dbraw/zinc/00/46/15/1035004615.db2.gz QDYYZCVJCPLHIM-BJKOFHAPSA-N 1 0 387.527 3.875 20 30 GHEDRO N#Cc1cc2nc(N[C@H](c3ccccc3O)[C@H]([NH3+])c3ccccc3O)ccc2[nH]1 ZINC001160624547 1035019486 /nfs/dbraw/zinc/01/94/86/1035019486.db2.gz RKOBKLRWFKZRTQ-FGZHOGPDSA-N 1 0 385.427 3.699 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160695757 1035038204 /nfs/dbraw/zinc/03/82/04/1035038204.db2.gz PWYZGSISUOKSKD-HXUWFJFHSA-N 1 0 381.605 3.824 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@H](C#N)C3)CC2)cc1 ZINC001208820003 1035039451 /nfs/dbraw/zinc/03/94/51/1035039451.db2.gz KAJVDDXCYNPNEC-HXUWFJFHSA-N 1 0 383.536 3.699 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1C#N ZINC001160738915 1035050900 /nfs/dbraw/zinc/05/09/00/1035050900.db2.gz KZZOKPFJYIYJIF-ZIAGYGMSSA-N 1 0 393.438 3.689 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4cccc(OC)c34)C2)C1 ZINC001232033856 1035052875 /nfs/dbraw/zinc/05/28/75/1035052875.db2.gz DXRUGHPGWJCIDM-JOCHJYFZSA-N 1 0 383.492 3.787 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001160749648 1035054424 /nfs/dbraw/zinc/05/44/24/1035054424.db2.gz CVLVWKVVUGBDBE-OAQYLSRUSA-N 1 0 379.504 3.798 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208850600 1035058048 /nfs/dbraw/zinc/05/80/48/1035058048.db2.gz FLMHBGZQPNUISN-UHFFFAOYSA-N 1 0 375.472 3.915 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC001208851687 1035058177 /nfs/dbraw/zinc/05/81/77/1035058177.db2.gz IWXHUNLYXJEVAV-QFIPXVFZSA-N 1 0 377.488 3.588 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)cc1 ZINC001208858478 1035063158 /nfs/dbraw/zinc/06/31/58/1035063158.db2.gz GJVSXFWTRDVGEA-DEOSSOPVSA-N 1 0 388.515 3.543 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)cc1 ZINC001208922467 1035090367 /nfs/dbraw/zinc/09/03/67/1035090367.db2.gz HOHQNECMSSWEBF-UHFFFAOYSA-N 1 0 390.531 3.692 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1Cl ZINC001232113655 1035102412 /nfs/dbraw/zinc/10/24/12/1035102412.db2.gz XROMHKGZJRQTCA-QFIPXVFZSA-N 1 0 397.881 3.975 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC001232114611 1035103794 /nfs/dbraw/zinc/10/37/94/1035103794.db2.gz OCMJXSMYTBULEQ-URVUXULASA-N 1 0 397.954 3.782 20 30 GHEDRO C[NH2+][C@@H](C)C(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1 ZINC001160959266 1035105679 /nfs/dbraw/zinc/10/56/79/1035105679.db2.gz QYNXOLYVSWVLKA-YXSAWLQOSA-N 1 0 388.511 3.790 20 30 GHEDRO Cc1ccc(/C=C2\CN(C(=O)[C@@H]3CC[NH2+]3)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC001160959114 1035106058 /nfs/dbraw/zinc/10/60/58/1035106058.db2.gz NGKOSQZFJYBRKS-QNFOTGIUSA-N 1 0 386.495 3.544 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)cc1Cl ZINC001232120174 1035107796 /nfs/dbraw/zinc/10/77/96/1035107796.db2.gz OIWSLEIUGRROOH-UHFFFAOYSA-N 1 0 379.891 3.666 20 30 GHEDRO C[C@]1(CC(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CC[NH2+]C1 ZINC001160994126 1035114571 /nfs/dbraw/zinc/11/45/71/1035114571.db2.gz MYKCXWPYQCIEOB-ISKFKSNPSA-N 1 0 387.527 3.734 20 30 GHEDRO C=CCN(CC[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001209022973 1035152068 /nfs/dbraw/zinc/15/20/68/1035152068.db2.gz XLDUUVHCSYKLOY-UHFFFAOYSA-N 1 0 397.560 3.600 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccnc4c(F)cccc34)C2)C1 ZINC001232207548 1035162163 /nfs/dbraw/zinc/16/21/63/1035162163.db2.gz JUNQZNPFMVRFRU-JOCHJYFZSA-N 1 0 383.467 3.984 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197824 1035176968 /nfs/dbraw/zinc/17/69/68/1035176968.db2.gz FUGDUIVFYNXACB-NRFANRHFSA-N 1 0 395.632 3.534 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001209177895 1035202234 /nfs/dbraw/zinc/20/22/34/1035202234.db2.gz SPFIMCJPVWVOIL-MSOLQXFVSA-N 1 0 395.544 3.543 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161488817 1035240079 /nfs/dbraw/zinc/24/00/79/1035240079.db2.gz GZLKFRZINVLMJE-JOCHJYFZSA-N 1 0 381.605 3.953 20 30 GHEDRO CCOC(=O)CCCCCC[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001209348510 1035248570 /nfs/dbraw/zinc/24/85/70/1035248570.db2.gz MRVSXVRBZBADKV-QHCPKHFHSA-N 1 0 397.519 3.501 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1=O ZINC001209354152 1035250353 /nfs/dbraw/zinc/25/03/53/1035250353.db2.gz AZZKHWSMYHULJG-JOCHJYFZSA-N 1 0 393.572 3.572 20 30 GHEDRO C=CCCCCC[N@@H+]1CC[C@]2(C(=O)OC)CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001209433424 1035273191 /nfs/dbraw/zinc/27/31/91/1035273191.db2.gz WCOLQPRYVCAOSQ-UWJYYQICSA-N 1 0 380.529 3.607 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@@H](c2nn3cc(C(=O)OCC)nc3s2)C1 ZINC001209431640 1035273311 /nfs/dbraw/zinc/27/33/11/1035273311.db2.gz QYLHLTNUYQPDGV-OAHLLOKOSA-N 1 0 376.526 3.893 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001209440648 1035274399 /nfs/dbraw/zinc/27/43/99/1035274399.db2.gz GQZGEAPVJXVFFA-FYYLOGMGSA-N 1 0 385.552 3.705 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161886172 1035322316 /nfs/dbraw/zinc/32/23/16/1035322316.db2.gz VSMODMUHXAZQOG-INIZCTEOSA-N 1 0 376.838 3.910 20 30 GHEDRO CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1C ZINC001209610783 1035329786 /nfs/dbraw/zinc/32/97/86/1035329786.db2.gz LEVGDVXJASRWGI-IBGZPJMESA-N 1 0 381.476 3.723 20 30 GHEDRO CCOc1cc(C(=O)OC)ccc1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001209691309 1035357340 /nfs/dbraw/zinc/35/73/40/1035357340.db2.gz RZZKBDFMIGBVIA-NRFANRHFSA-N 1 0 394.471 3.787 20 30 GHEDRO Cc1cc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)ccc1Br ZINC001248155764 1035581680 /nfs/dbraw/zinc/58/16/80/1035581680.db2.gz AZBRFJFHPMUEJL-INIZCTEOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc(OC4CC4)c3F)CC2)cc1 ZINC001462006585 1069940896 /nfs/dbraw/zinc/94/08/96/1069940896.db2.gz CZFKWHVWPFDHOF-UHFFFAOYSA-N 1 0 379.479 3.946 20 30 GHEDRO COc1cc(CCC#N)c(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1OC ZINC001241784439 1035700388 /nfs/dbraw/zinc/70/03/88/1035700388.db2.gz ZAAIKZXULFARMG-UHFFFAOYSA-N 1 0 395.503 3.508 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2ccc3cc(C#N)c(C#N)cc3c2)cc1 ZINC001241784112 1035701238 /nfs/dbraw/zinc/70/12/38/1035701238.db2.gz PAIINWSCCWQTJD-UHFFFAOYSA-N 1 0 382.467 3.932 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCc2nc(C#N)cs2)CCCCC1 ZINC001248458997 1035880648 /nfs/dbraw/zinc/88/06/48/1035880648.db2.gz SWOPKXMDLLXFIM-UHFFFAOYSA-N 1 0 397.548 3.649 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001248749598 1036106454 /nfs/dbraw/zinc/10/64/54/1036106454.db2.gz FDSFZYSFCIYHAT-UHFFFAOYSA-N 1 0 379.504 3.581 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001248749914 1036106504 /nfs/dbraw/zinc/10/65/04/1036106504.db2.gz QAZTVXQAFNGJEN-XMMPIXPASA-N 1 0 388.515 3.673 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001248750804 1036108255 /nfs/dbraw/zinc/10/82/55/1036108255.db2.gz WEAWZZIEILWOHG-UHFFFAOYSA-N 1 0 388.515 3.644 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1[nH]nc3cc(C(F)(F)F)ccc31)C2 ZINC001248846381 1036200803 /nfs/dbraw/zinc/20/08/03/1036200803.db2.gz VOUVQKLLEVUSLC-KXBFYZLASA-N 1 0 395.425 3.908 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-c3cccc(N4CC[NH+](C)CC4)c3)nn2)cc1 ZINC001243666557 1036243860 /nfs/dbraw/zinc/24/38/60/1036243860.db2.gz CHUDWVSJRFZMPS-JOCHJYFZSA-N 1 0 383.499 3.859 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2cccc(OCC[NH+](C)C)c2)n1 ZINC001243748202 1036267512 /nfs/dbraw/zinc/26/75/12/1036267512.db2.gz NBRRVLAAGWGAQK-CFLOSXJVSA-N 1 0 387.549 3.879 20 30 GHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245524777 1036944424 /nfs/dbraw/zinc/94/44/24/1036944424.db2.gz SZWZMANQUYJPAS-SFHVURJKSA-N 1 0 386.455 3.544 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN[C@H]1C[NH2+][C@H](C)C1 ZINC001246008146 1037127055 /nfs/dbraw/zinc/12/70/55/1037127055.db2.gz BWUMIMWIMWYRRR-YPAWHYETSA-N 1 0 386.621 3.641 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246217544 1037243261 /nfs/dbraw/zinc/24/32/61/1037243261.db2.gz TUHOTBXHAZPMHJ-MZYLBHOOSA-N 1 0 396.506 3.857 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CCN[C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246709164 1037562267 /nfs/dbraw/zinc/56/22/67/1037562267.db2.gz SFMLZNHAEBHTON-BGWNEDDSSA-N 1 0 399.554 3.960 20 30 GHEDRO Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246864342 1037683351 /nfs/dbraw/zinc/68/33/51/1037683351.db2.gz ONWAKKNPKWXPDH-SIKLNZKXSA-N 1 0 396.485 3.760 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)CN1 ZINC001246893094 1037708366 /nfs/dbraw/zinc/70/83/66/1037708366.db2.gz ULPURKDKEBXHED-LEOXJPRUSA-N 1 0 391.515 3.805 20 30 GHEDRO CC[C@]1(C(=O)OC)C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)CN1 ZINC001246892239 1037708834 /nfs/dbraw/zinc/70/88/34/1037708834.db2.gz QQLWSUYXTCRYLT-RVSNTGDXSA-N 1 0 391.515 3.805 20 30 GHEDRO N#Cc1ccc(-c2nc3c(cccc3F)n2CC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001247033808 1037854543 /nfs/dbraw/zinc/85/45/43/1037854543.db2.gz WQHCVTGNKACVKR-UHFFFAOYSA-N 1 0 379.395 3.622 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262988 1037984529 /nfs/dbraw/zinc/98/45/29/1037984529.db2.gz ZFJVNRIHSCSDLQ-UHFFFAOYSA-N 1 0 388.851 3.675 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232268808 1037992070 /nfs/dbraw/zinc/99/20/70/1037992070.db2.gz VJBOMSDVIJTRQR-PMACEKPBSA-N 1 0 381.900 3.628 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(O)c4ncccc34)CC2)C1 ZINC001232272461 1037997486 /nfs/dbraw/zinc/99/74/86/1037997486.db2.gz OGKPXMDSSDTTKX-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)c(C)s3)C2)C1=O ZINC001232290609 1038024510 /nfs/dbraw/zinc/02/45/10/1038024510.db2.gz ASUZYCWYNMVYQU-QGZVFWFLSA-N 1 0 383.355 3.820 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Br)c(C)s1)CC2 ZINC001232291509 1038026430 /nfs/dbraw/zinc/02/64/30/1038026430.db2.gz JCGNKVMXVOMCSA-UHFFFAOYSA-N 1 0 383.355 3.962 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(Br)c(C)s2)C1=O ZINC001277680410 1038319642 /nfs/dbraw/zinc/31/96/42/1038319642.db2.gz YLDQEPPXSDUZDD-KRWDZBQOSA-N 1 0 383.355 3.962 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cccc5ncsc54)C3)CC2=O)c1 ZINC001232733049 1038524002 /nfs/dbraw/zinc/52/40/02/1038524002.db2.gz HYYDGXMUFLYLMY-QFIPXVFZSA-N 1 0 388.496 3.797 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccc(C#N)s3)CC2)c2cc(C)ccc21 ZINC001232842790 1038593891 /nfs/dbraw/zinc/59/38/91/1038593891.db2.gz DWIITSQKDLGOOE-FQEVSTJZSA-N 1 0 394.544 3.836 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1=O ZINC001232883982 1038662831 /nfs/dbraw/zinc/66/28/31/1038662831.db2.gz CHXVMNKJHOLCOQ-HSZRJFAPSA-N 1 0 379.479 3.888 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)(F)F ZINC001277734764 1038711490 /nfs/dbraw/zinc/71/14/90/1038711490.db2.gz MGRHRVZMGSSLCA-BRWVUGGUSA-N 1 0 378.479 3.726 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)nc1)[C@H]2CC ZINC001232953040 1038731680 /nfs/dbraw/zinc/73/16/80/1038731680.db2.gz CGQWUHKQIMJOMQ-JXFKEZNVSA-N 1 0 379.451 3.605 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)c(C#N)c1 ZINC001232966442 1038739888 /nfs/dbraw/zinc/73/98/88/1038739888.db2.gz QWLRNUZMKOHYTE-JOCHJYFZSA-N 1 0 391.515 3.959 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(F)cnc3C)C[C@@H]2c2ccccc2)C1=O ZINC001232987981 1038752140 /nfs/dbraw/zinc/75/21/40/1038752140.db2.gz QNUVCRQIYWGXGH-GGAORHGYSA-N 1 0 379.479 3.533 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(O)cc(Br)c1)C2 ZINC001232996292 1038757198 /nfs/dbraw/zinc/75/71/98/1038757198.db2.gz LNCLQEGFVISJOT-RTBURBONSA-N 1 0 396.325 3.728 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C2(NC(=O)OC(C)(C)C)CC2)[C@H](CF)C1 ZINC001233079567 1038844973 /nfs/dbraw/zinc/84/49/73/1038844973.db2.gz IDCOMSRPMHLALZ-MOPGFXCFSA-N 1 0 387.499 3.942 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)cc1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233084533 1038854357 /nfs/dbraw/zinc/85/43/57/1038854357.db2.gz YDOBIDITTUQBHD-FQEVSTJZSA-N 1 0 387.524 3.715 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)C(C)C)O2 ZINC001252125592 1038872169 /nfs/dbraw/zinc/87/21/69/1038872169.db2.gz FCCJAUOATQWAAC-MQSCRBSSSA-N 1 0 396.616 3.884 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)c(Br)c(C)c1 ZINC001277761441 1038873323 /nfs/dbraw/zinc/87/33/23/1038873323.db2.gz GMTTWQFFYDMTSE-IAGOWNOFSA-N 1 0 377.326 3.817 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001252126410 1038874859 /nfs/dbraw/zinc/87/48/59/1038874859.db2.gz PNDKEBPOMKDESL-BVSLBCMMSA-N 1 0 376.541 3.805 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001252128483 1038880518 /nfs/dbraw/zinc/88/05/18/1038880518.db2.gz NJVIYQLYXCWYLV-DNVJHFABSA-N 1 0 390.568 3.658 20 30 GHEDRO COc1cc(C#N)ccc1OC1CCN(Cc2n[nH]c3cc(F)ccc23)CC1 ZINC001233126418 1038912498 /nfs/dbraw/zinc/91/24/98/1038912498.db2.gz LMWOMHFSQRHEQW-UHFFFAOYSA-N 1 0 380.423 3.626 20 30 GHEDRO C[C@](O)(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323593 1038942845 /nfs/dbraw/zinc/94/28/45/1038942845.db2.gz YWAJHJHIZHXMTI-FMEYXAORSA-N 1 0 395.425 3.531 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H](CC(=O)N(CC)CC)c3ccccc32)CC1 ZINC001252552163 1039030050 /nfs/dbraw/zinc/03/00/50/1039030050.db2.gz UOIARAZCIHCNPQ-AUSIDOKSSA-N 1 0 384.564 3.703 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001252577372 1039036445 /nfs/dbraw/zinc/03/64/45/1039036445.db2.gz ZQWAISIEJXHEEV-SIKLNZKXSA-N 1 0 386.536 3.927 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]CC1(Cc2cccc(Br)c2)CCOCC1 ZINC001252622191 1039052045 /nfs/dbraw/zinc/05/20/45/1039052045.db2.gz PXZSOWTZIUZNEE-SFHVURJKSA-N 1 0 382.342 3.705 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]CC1(Cc2ccccc2Br)CCOCC1 ZINC001252623007 1039052191 /nfs/dbraw/zinc/05/21/91/1039052191.db2.gz BRFDLFKNZZOJDX-KRWDZBQOSA-N 1 0 382.342 3.705 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]CC1(Cc2ccc(Br)cc2)CCOCC1 ZINC001252622313 1039052689 /nfs/dbraw/zinc/05/26/89/1039052689.db2.gz RQSJNXKCGULWPF-GOSISDBHSA-N 1 0 382.342 3.705 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1 ZINC001233388100 1039210542 /nfs/dbraw/zinc/21/05/42/1039210542.db2.gz LQGUJNCPXSLDRB-IBGZPJMESA-N 1 0 375.394 3.513 20 30 GHEDRO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[O-] ZINC001233388151 1039210981 /nfs/dbraw/zinc/21/09/81/1039210981.db2.gz ODIRDDCIXMATOG-UHFFFAOYSA-N 1 0 381.476 3.791 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2OCCN(C(C)=O)[C@H]2CC1 ZINC001252979641 1039309761 /nfs/dbraw/zinc/30/97/61/1039309761.db2.gz LXWBRAFYIAJUFO-FDFHNCONSA-N 1 0 382.589 3.590 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)NC(C)C)C[C@H]21 ZINC001252985067 1039312038 /nfs/dbraw/zinc/31/20/38/1039312038.db2.gz LUWGICZMKIXPPX-NCYKPQTJSA-N 1 0 382.589 3.635 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC(C(=O)N2CCC(=O)CC2)CC1 ZINC001252983822 1039312364 /nfs/dbraw/zinc/31/23/64/1039312364.db2.gz ACPDDAGPQANFFC-QFIPXVFZSA-N 1 0 394.600 3.782 20 30 GHEDRO CCCC[C@H](CC)COC[C@@H](O)C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001253008302 1039337598 /nfs/dbraw/zinc/33/75/98/1039337598.db2.gz XEKYWXYOFWIXIE-FPOVZHCZSA-N 1 0 388.552 3.995 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2F)CC1 ZINC001462358962 1070198804 /nfs/dbraw/zinc/19/88/04/1070198804.db2.gz DOXPIMMTGARVCW-LJQANCHMSA-N 1 0 394.494 3.994 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001253235149 1039489159 /nfs/dbraw/zinc/48/91/59/1039489159.db2.gz IAEGWESQAAYHDI-AABGKKOBSA-N 1 0 396.572 3.584 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001253235830 1039489387 /nfs/dbraw/zinc/48/93/87/1039489387.db2.gz ORGONWXDAKQXJW-PKTZIBPZSA-N 1 0 387.568 3.640 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001253237955 1039494679 /nfs/dbraw/zinc/49/46/79/1039494679.db2.gz PGTQOJRCQSBHTQ-FQEVSTJZSA-N 1 0 398.551 3.950 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CC1)c1ncc(C)n1CCN2CC ZINC001253238649 1039495120 /nfs/dbraw/zinc/49/51/20/1039495120.db2.gz SWXBJMFTFXXFGC-NRFANRHFSA-N 1 0 388.600 3.706 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cccc(N2CCCCS2(=O)=O)c1 ZINC001253255699 1039505903 /nfs/dbraw/zinc/50/59/03/1039505903.db2.gz ZWFRWTYHYDCFOC-NRFANRHFSA-N 1 0 394.581 3.594 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC001253429564 1039627797 /nfs/dbraw/zinc/62/77/97/1039627797.db2.gz RFFNWSYHSKYBOQ-IERDGZPVSA-N 1 0 380.488 3.724 20 30 GHEDRO CC(C)C[C@H]([NH2+]C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C(=O)NO ZINC001253498908 1039681038 /nfs/dbraw/zinc/68/10/38/1039681038.db2.gz LEPBZYYNVSOWGD-PXNSSMCTSA-N 1 0 384.948 3.560 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1c(F)cccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587882 1039711211 /nfs/dbraw/zinc/71/12/11/1039711211.db2.gz PVUBEKYHLCLPKI-MRXNPFEDSA-N 1 0 396.478 3.713 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1ccccc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588664 1039712528 /nfs/dbraw/zinc/71/25/28/1039712528.db2.gz ZJNODYDOUHROBO-ZWKOTPCHSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[NH2+]C1(Cc2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253606964 1039718748 /nfs/dbraw/zinc/71/87/48/1039718748.db2.gz OYAQKQGMYMQCNJ-KRWDZBQOSA-N 1 0 394.943 3.789 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CC(C)(CO)C1 ZINC001253616052 1039726191 /nfs/dbraw/zinc/72/61/91/1039726191.db2.gz QJLHFOLYVVUEDA-NRFANRHFSA-N 1 0 387.605 3.616 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC[C@@H](C)CO ZINC001253617497 1039730114 /nfs/dbraw/zinc/73/01/14/1039730114.db2.gz SCZREALJGQZNAE-YADHBBJMSA-N 1 0 389.621 3.910 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccccc3C=NNc3ccccc3)C[C@H]1[N@@H+]2C ZINC001234081995 1039821620 /nfs/dbraw/zinc/82/16/20/1039821620.db2.gz PHXMKFYIBNPVGF-QXUYBEEESA-N 1 0 393.487 3.678 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(OCC#N)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001253891703 1039882347 /nfs/dbraw/zinc/88/23/47/1039882347.db2.gz LTXLDMLYHXAJRF-MSOLQXFVSA-N 1 0 378.476 3.716 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC001253888442 1039883099 /nfs/dbraw/zinc/88/30/99/1039883099.db2.gz UFYWLMIRIPZCAI-LPHOPBHVSA-N 1 0 389.496 3.832 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(O)ccc4ccc(OC)cc43)C2)C1=O ZINC001234537093 1040110247 /nfs/dbraw/zinc/11/02/47/1040110247.db2.gz WDSTWQXUJRSXQU-QHCPKHFHSA-N 1 0 380.488 3.555 20 30 GHEDRO COc1ccc(C[C@@H](CO)[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)cc1 ZINC001254348464 1040181630 /nfs/dbraw/zinc/18/16/30/1040181630.db2.gz NQBBKCPFCPVMEV-QKDPSFTKSA-N 1 0 382.479 3.731 20 30 GHEDRO C[N@H+](CCNC(=O)OC(C)(C)C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353051 1040184493 /nfs/dbraw/zinc/18/44/93/1040184493.db2.gz OLSJLJUVHZFJLW-UHFFFAOYSA-N 1 0 375.488 3.986 20 30 GHEDRO CC(C)(C)[C@H](CN1CCOCC1)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254351521 1040184772 /nfs/dbraw/zinc/18/47/72/1040184772.db2.gz KFPUFHQOENIIKU-QKDPSFTKSA-N 1 0 387.543 3.866 20 30 GHEDRO CN(C)C1=NOC2(C1)CC[NH+](C1CCC(C#N)(c3ccc(F)cc3)CC1)CC2 ZINC001254355023 1040187887 /nfs/dbraw/zinc/18/78/87/1040187887.db2.gz OUECUMCSOZOSKW-UHFFFAOYSA-N 1 0 384.499 3.660 20 30 GHEDRO [NH2+]=C(NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2n1 ZINC001254468182 1040253588 /nfs/dbraw/zinc/25/35/88/1040253588.db2.gz GMPRQBGCXSVQPT-UHFFFAOYSA-N 1 0 375.432 3.517 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC001254481005 1040268558 /nfs/dbraw/zinc/26/85/58/1040268558.db2.gz JEOSIQONOGOADQ-HSZRJFAPSA-N 1 0 390.531 3.579 20 30 GHEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001254546470 1040315041 /nfs/dbraw/zinc/31/50/41/1040315041.db2.gz FYMCXWFDUMBWGD-QGZVFWFLSA-N 1 0 378.476 3.652 20 30 GHEDRO C=CCc1c(O[C@@H]2CC[N@@H+](C(C)C)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234903811 1040418875 /nfs/dbraw/zinc/41/88/75/1040418875.db2.gz REQLAQOGHBCMNN-LJQANCHMSA-N 1 0 389.499 3.976 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC3(CC2)CC(=O)c2cc(Br)ccc2O3)C1 ZINC001254669151 1040428307 /nfs/dbraw/zinc/42/83/07/1040428307.db2.gz PPRCPBGBTMOHEK-ZFWWWQNUSA-N 1 0 389.293 3.941 20 30 GHEDRO C[NH+]1CC2(CN(Cc3cc(Oc4ccc(C#N)cc4)ccc3Br)C2)C1 ZINC001234970620 1040473758 /nfs/dbraw/zinc/47/37/58/1040473758.db2.gz VENZVRIVTAVAQU-UHFFFAOYSA-N 1 0 398.304 3.860 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@H](NC(=[NH2+])c3ccc(C#N)cc3)C2)CC1 ZINC001254730754 1040488441 /nfs/dbraw/zinc/48/84/41/1040488441.db2.gz DTAUHEHROCVUEX-SFHVURJKSA-N 1 0 382.508 3.833 20 30 GHEDRO C=CCOc1cccc(CN2CCc3ccc(OC)cc3C23CC[NH2+]CC3)c1 ZINC001235019675 1040507883 /nfs/dbraw/zinc/50/78/83/1040507883.db2.gz OXJFAGNEZKQLEE-UHFFFAOYSA-N 1 0 378.516 3.897 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(Oc4cccnc4)cc3)CC2)nc1 ZINC001235122982 1040613673 /nfs/dbraw/zinc/61/36/73/1040613673.db2.gz SFXBTPSCFJKAQO-UHFFFAOYSA-N 1 0 385.471 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]CCCOc3ccccc3C#N)C[C@@H]2C1 ZINC001254892444 1040646192 /nfs/dbraw/zinc/64/61/92/1040646192.db2.gz FGYKOMYMTKMZSU-REPLKXPHSA-N 1 0 385.508 3.562 20 30 GHEDRO C=CC(C)(C)CCCNC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001254996929 1040717691 /nfs/dbraw/zinc/71/76/91/1040717691.db2.gz YJIFVOBWQDFTPQ-UHFFFAOYSA-N 1 0 384.568 3.633 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255064941 1040760142 /nfs/dbraw/zinc/76/01/42/1040760142.db2.gz DGWAIGVWEPKBAI-RKKYOWQMSA-N 1 0 396.531 3.776 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001255213693 1040909018 /nfs/dbraw/zinc/90/90/18/1040909018.db2.gz HUSUHMRALZDFPK-JTJHWIPRSA-N 1 0 383.492 3.553 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001235512744 1040969232 /nfs/dbraw/zinc/96/92/32/1040969232.db2.gz CVKYLKZDLNLKKT-QFIPXVFZSA-N 1 0 391.515 3.845 20 30 GHEDRO CSc1nc(Cl)cc(N2CCC[N@H+](Cc3ccccc3CC#N)CC2)n1 ZINC001235525219 1040975552 /nfs/dbraw/zinc/97/55/52/1040975552.db2.gz KUXQDYXRJBJOMO-UHFFFAOYSA-N 1 0 387.940 3.630 20 30 GHEDRO N#Cc1cc(F)c(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(F)c1 ZINC001235657043 1041106069 /nfs/dbraw/zinc/10/60/69/1041106069.db2.gz JKVKLDBZXDHBCJ-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001235689118 1041161702 /nfs/dbraw/zinc/16/17/02/1041161702.db2.gz GKRXQAJLYRGTNE-OAQYLSRUSA-N 1 0 380.536 3.891 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C3CCC4(CC3)OCCO4)CC2)cc1Cl ZINC001255628830 1041178983 /nfs/dbraw/zinc/17/89/83/1041178983.db2.gz YMPYKPMEFSVLIV-UHFFFAOYSA-N 1 0 376.884 3.741 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC001255924349 1041412565 /nfs/dbraw/zinc/41/25/65/1041412565.db2.gz YZERXUYEXRRCAQ-QGZVFWFLSA-N 1 0 379.504 3.891 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001236155281 1041579334 /nfs/dbraw/zinc/57/93/34/1041579334.db2.gz ILKCMDOUDWGGAW-LJQANCHMSA-N 1 0 384.600 3.906 20 30 GHEDRO CC1(C)[NH2+]C[C@@H](CN2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)O1 ZINC001236156840 1041579611 /nfs/dbraw/zinc/57/96/11/1041579611.db2.gz ADNOQVMSVHWZOS-YADHBBJMSA-N 1 0 375.516 3.543 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cccc(SC(F)(F)F)c3)CC2)C1=O ZINC001278000760 1041852054 /nfs/dbraw/zinc/85/20/54/1041852054.db2.gz NSZVTJXDFGGSGV-UHFFFAOYSA-N 1 0 382.451 3.746 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)C2 ZINC001236768434 1041881090 /nfs/dbraw/zinc/88/10/90/1041881090.db2.gz IBJKHXWXBIJKSU-CTNGQTDRSA-N 1 0 393.911 3.700 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236796762 1041900962 /nfs/dbraw/zinc/90/09/62/1041900962.db2.gz YTQNOIQJSIUHPG-VQTJNVASSA-N 1 0 381.900 3.628 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)c(Cl)c1)C2 ZINC001236909947 1041952730 /nfs/dbraw/zinc/95/27/30/1041952730.db2.gz VJOKPJYCOAIREK-RXVVDRJESA-N 1 0 387.911 3.852 20 30 GHEDRO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)ccc2[nH]1 ZINC001237319020 1042144956 /nfs/dbraw/zinc/14/49/56/1042144956.db2.gz HFTQPHGYTNDZOV-HXUWFJFHSA-N 1 0 389.455 3.870 20 30 GHEDRO N#Cc1cc(CN2CCC3(CN(c4ccccc4)C(=O)O3)CC2)c(F)cc1F ZINC001237535341 1042254499 /nfs/dbraw/zinc/25/44/99/1042254499.db2.gz WVNKQBHVOXUEPA-UHFFFAOYSA-N 1 0 383.398 3.828 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2cn3cc(C#N)ccc3n2)C2CC2)C1 ZINC001237616746 1042282842 /nfs/dbraw/zinc/28/28/42/1042282842.db2.gz GRLTVPOZXZWWSQ-LJQANCHMSA-N 1 0 395.507 3.570 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)cc(C(F)(F)F)cc3F)C2)C1=O ZINC001237715716 1042339696 /nfs/dbraw/zinc/33/96/96/1042339696.db2.gz XJOHHHIEVFQFRU-SFHVURJKSA-N 1 0 388.380 3.984 20 30 GHEDRO COc1ccc(C(F)(F)F)c(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1 ZINC001238059483 1042478140 /nfs/dbraw/zinc/47/81/40/1042478140.db2.gz SSZPBEXZXLNLMD-UHFFFAOYSA-N 1 0 390.409 3.693 20 30 GHEDRO Cc1cnc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c(C)c1 ZINC001238428787 1042593839 /nfs/dbraw/zinc/59/38/39/1042593839.db2.gz JQCYRZHDOWOBRO-XMMPIXPASA-N 1 0 390.531 3.689 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)ccc1C#N ZINC001238761210 1042717454 /nfs/dbraw/zinc/71/74/54/1042717454.db2.gz ADHGFKAHWZBBAE-XZOQPEGZSA-N 1 0 377.488 3.718 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)ccc1C#N ZINC001238760436 1042717761 /nfs/dbraw/zinc/71/77/61/1042717761.db2.gz KTLVPGLYEIAXBW-UHFFFAOYSA-N 1 0 388.515 3.530 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)ccc1C#N ZINC001238761927 1042718080 /nfs/dbraw/zinc/71/80/80/1042718080.db2.gz IJSZWXORJPGBQV-WXFUMESZSA-N 1 0 391.515 3.854 20 30 GHEDRO CCc1cccc(CC)c1NC(=O)Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001239190280 1042782759 /nfs/dbraw/zinc/78/27/59/1042782759.db2.gz IPZDSJSSKXMHPI-UHFFFAOYSA-N 1 0 377.492 3.737 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCC2(c3ccccn3)CC[NH2+]CC2)c1 ZINC001239246782 1042796205 /nfs/dbraw/zinc/79/62/05/1042796205.db2.gz IYNBGRGNWFDHCD-UHFFFAOYSA-N 1 0 392.547 3.970 20 30 GHEDRO CCCCCCCOC(=O)N[C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001239319541 1042808518 /nfs/dbraw/zinc/80/85/18/1042808518.db2.gz KHNSAHYXQYMVBF-IBGZPJMESA-N 1 0 378.513 3.924 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2(Cc3ccc(F)cc3)CC[NH2+]CC2)cc1 ZINC001239385489 1042818802 /nfs/dbraw/zinc/81/88/02/1042818802.db2.gz BBBFPLVBZRNGNH-UHFFFAOYSA-N 1 0 382.508 3.596 20 30 GHEDRO C=CCCNC(=S)NCC1(Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001239393455 1042821612 /nfs/dbraw/zinc/82/16/12/1042821612.db2.gz APZPEKVLNCIURL-UHFFFAOYSA-N 1 0 385.499 3.658 20 30 GHEDRO N#Cc1cc(-c2ccc(OCC(F)(F)F)nc2)ccc1OC1CC[NH2+]CC1 ZINC001239956246 1042866286 /nfs/dbraw/zinc/86/62/86/1042866286.db2.gz RWKOKLCBCJBFTJ-UHFFFAOYSA-N 1 0 377.366 3.692 20 30 GHEDRO CCN1C(=O)c2cccc3c(-c4cc(C#N)cc(C5C[NH2+]C5)c4)ccc(c32)C1=O ZINC001240351346 1042922778 /nfs/dbraw/zinc/92/27/78/1042922778.db2.gz ROQOBGHZCPRQIX-UHFFFAOYSA-N 1 0 381.435 3.681 20 30 GHEDRO CN1CC[NH+](Cc2ccc(-c3cccc(C4(C#N)CCOCC4)c3)cc2)CC1 ZINC001240408852 1042926906 /nfs/dbraw/zinc/92/69/06/1042926906.db2.gz SWNPPHOVJAVGHC-UHFFFAOYSA-N 1 0 375.516 3.673 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4cc(C#N)c(C(F)(F)F)cn4)cc3)CC2)CC1 ZINC001240572937 1042941752 /nfs/dbraw/zinc/94/17/52/1042941752.db2.gz MXYSGTBPSNWCFJ-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(-c3ccc4c(c3)C3(CC[NH2+]CC3)C(=O)N4)nc21 ZINC001240813921 1042955450 /nfs/dbraw/zinc/95/54/50/1042955450.db2.gz KCKSMYYPSAFYNI-UHFFFAOYSA-N 1 0 386.499 3.807 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1-c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001240814214 1042955750 /nfs/dbraw/zinc/95/57/50/1042955750.db2.gz OOUXNCZMPURWBX-UHFFFAOYSA-N 1 0 386.480 3.922 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001291154530 1043113306 /nfs/dbraw/zinc/11/33/06/1043113306.db2.gz AMSISTFKNIKKPX-GOSISDBHSA-N 1 0 378.524 3.539 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291181072 1043143396 /nfs/dbraw/zinc/14/33/96/1043143396.db2.gz XJYWFBCQIYKIBO-GOSISDBHSA-N 1 0 383.544 3.524 20 30 GHEDRO CC1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCC2)CC1 ZINC001291183857 1043144547 /nfs/dbraw/zinc/14/45/47/1043144547.db2.gz HKTPXPUURKCGBJ-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001291429522 1043248631 /nfs/dbraw/zinc/24/86/31/1043248631.db2.gz LWOCAGXXHREGKK-WMZOPIPTSA-N 1 0 395.555 3.882 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCC(C#N)CC1 ZINC001291766196 1043450592 /nfs/dbraw/zinc/45/05/92/1043450592.db2.gz BDMPIHPUIYLRHZ-SFHVURJKSA-N 1 0 380.540 3.724 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCN(Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552001 1043517145 /nfs/dbraw/zinc/51/71/45/1043517145.db2.gz WTKIGOBMLMFCGC-AYVPJYCDSA-N 1 0 384.564 3.866 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)c1cccc(C#CCO)c1)C1CCCCC1 ZINC001291960450 1043548189 /nfs/dbraw/zinc/54/81/89/1043548189.db2.gz YHMJZSRAUCBJGC-UHFFFAOYSA-N 1 0 390.527 3.725 20 30 GHEDRO COc1cccc2c1CC[C@H]([NH2+]C1CCN(Cc3ccccc3C#N)CC1)C2 ZINC001256640183 1043587121 /nfs/dbraw/zinc/58/71/21/1043587121.db2.gz FGQLDDGAHAENPE-QFIPXVFZSA-N 1 0 375.516 3.678 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCc4c(cccc4OC)C3)C2)C1 ZINC001256644671 1043590717 /nfs/dbraw/zinc/59/07/17/1043590717.db2.gz YLAHAEJKQRYMSF-AUSIDOKSSA-N 1 0 384.520 3.663 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN([C@H](C)Cc2ccccc2Br)C1 ZINC001256845496 1043695006 /nfs/dbraw/zinc/69/50/06/1043695006.db2.gz ABSCKBLECOKJEN-GDBMZVCRSA-N 1 0 381.314 3.757 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+](C2CCC(CC)CC2)CC1 ZINC001256875409 1043713876 /nfs/dbraw/zinc/71/38/76/1043713876.db2.gz YXZMFLVRLOQRDF-UHFFFAOYSA-N 1 0 384.524 3.529 20 30 GHEDRO COCCC[N@H+](C1CCC(C#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256970313 1043776825 /nfs/dbraw/zinc/77/68/25/1043776825.db2.gz XZOGIJRSTJSPQI-ACBHZAAOSA-N 1 0 379.545 3.807 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257007786 1043797182 /nfs/dbraw/zinc/79/71/82/1043797182.db2.gz DRRZOEHYXWOADV-XVAXZDLZSA-N 1 0 399.535 3.810 20 30 GHEDRO CC(C)OCc1nnc2n1CCN(C1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001257018352 1043803424 /nfs/dbraw/zinc/80/34/24/1043803424.db2.gz PZFLSDAEMLUNLR-UHFFFAOYSA-N 1 0 379.508 3.617 20 30 GHEDRO COc1cc(C)nc(N2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)n1 ZINC001257022829 1043807052 /nfs/dbraw/zinc/80/70/52/1043807052.db2.gz QOPZOKGSQIYYSI-UHFFFAOYSA-N 1 0 391.519 3.514 20 30 GHEDRO CC[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257130668 1043878545 /nfs/dbraw/zinc/87/85/45/1043878545.db2.gz VYQHRLLZLHPUPE-WOJBJXKFSA-N 1 0 398.551 3.858 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001292834713 1043905348 /nfs/dbraw/zinc/90/53/48/1043905348.db2.gz CFAMGOSRUWODGW-GOSISDBHSA-N 1 0 380.540 3.613 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC001292958927 1043966083 /nfs/dbraw/zinc/96/60/83/1043966083.db2.gz QGGAYFDBGBSPSQ-JOCHJYFZSA-N 1 0 397.563 3.741 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H](C)CCC(=O)OCCCC)C2)C1 ZINC001257393851 1043981436 /nfs/dbraw/zinc/98/14/36/1043981436.db2.gz UTPULXJKHFZEQL-RXVVDRJESA-N 1 0 380.529 3.609 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C)c(C#N)c(C)c1 ZINC001293283770 1044092136 /nfs/dbraw/zinc/09/21/36/1044092136.db2.gz PBEGSFPNQBURMH-NRFANRHFSA-N 1 0 376.504 3.697 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C ZINC001293379869 1044144358 /nfs/dbraw/zinc/14/43/58/1044144358.db2.gz VDHCQFRUQZPUEG-SFHVURJKSA-N 1 0 386.588 3.970 20 30 GHEDRO C=C(C)C[N@@H+](CC)C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001257785879 1044169824 /nfs/dbraw/zinc/16/98/24/1044169824.db2.gz FRBLXPHNFSPYHG-OWCVQMPJSA-N 1 0 380.529 3.604 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257797747 1044181945 /nfs/dbraw/zinc/18/19/45/1044181945.db2.gz GJMQQCIAWGOXCU-IPJJNNNSSA-N 1 0 377.573 3.796 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001293460601 1044191533 /nfs/dbraw/zinc/19/15/33/1044191533.db2.gz FEOSZRIXQGOINT-QZTJIDSGSA-N 1 0 380.540 3.783 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4CN(CCC(C)C)S(=O)(=O)[C@@H]4CC3)C[C@H](C1)C2 ZINC001257891150 1044247955 /nfs/dbraw/zinc/24/79/55/1044247955.db2.gz GCDRQBGIMCGIBT-XQXKBUOWSA-N 1 0 394.625 3.893 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4COC[C@H](C(=O)Nc5cccnc5C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257892291 1044247985 /nfs/dbraw/zinc/24/79/85/1044247985.db2.gz XDRKTPIKKQLOFP-ZCYQFBMASA-N 1 0 395.547 3.658 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(CC(=O)OCC)CC1)[C@@H]2CC ZINC001258032057 1044358130 /nfs/dbraw/zinc/35/81/30/1044358130.db2.gz JIJZHRYQABPAHI-RRDHRZETSA-N 1 0 390.568 3.920 20 30 GHEDRO CCCCCCC[C@H](C)[NH2+]C1CCC2(CCC(=O)N2CC(=O)N(C)C)CC1 ZINC001258042757 1044368251 /nfs/dbraw/zinc/36/82/51/1044368251.db2.gz XPGJHYKOKAPSLC-PGFLUOATSA-N 1 0 379.589 3.717 20 30 GHEDRO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c(Br)c1 ZINC001279079498 1044445155 /nfs/dbraw/zinc/44/51/55/1044445155.db2.gz OBBXBSJBVDDLDT-IYBDPMFKSA-N 1 0 388.309 3.552 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001294217282 1044530339 /nfs/dbraw/zinc/53/03/39/1044530339.db2.gz GHECZOCFJCDWTI-ROUUACIJSA-N 1 0 380.540 3.783 20 30 GHEDRO CCCC[N@H+](C)CCn1c(C2CCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001294224341 1044534806 /nfs/dbraw/zinc/53/48/06/1044534806.db2.gz QYKHWSOMBMWBFC-UHFFFAOYSA-N 1 0 380.540 3.786 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)CC#N ZINC001294318998 1044582296 /nfs/dbraw/zinc/58/22/96/1044582296.db2.gz XYLDRAGQFSSJFI-GUDVDZBRSA-N 1 0 388.560 3.523 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)CC#N ZINC001294318999 1044582834 /nfs/dbraw/zinc/58/28/34/1044582834.db2.gz XYLDRAGQFSSJFI-IPMKNSEASA-N 1 0 388.560 3.523 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2cccc(C#N)c2Cl)c1 ZINC001462847091 1070592742 /nfs/dbraw/zinc/59/27/42/1070592742.db2.gz IGJFKPUXGLACQL-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001258679563 1044707246 /nfs/dbraw/zinc/70/72/46/1044707246.db2.gz NUZIUCMDUJRUFI-NSHDSACASA-N 1 0 385.316 3.733 20 30 GHEDRO C=CCC[C@@H](C)[N@H+]1CC2(C[C@H]1C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC2 ZINC001258725414 1044734441 /nfs/dbraw/zinc/73/44/41/1044734441.db2.gz KZCUOPBFFCRRJP-MSOLQXFVSA-N 1 0 394.556 3.996 20 30 GHEDRO CC[NH+](CC)[C@H](Cn1c(N(C)[C@H](C)CC#N)nnc1C(C)(C)C)c1ccco1 ZINC001295404699 1045000823 /nfs/dbraw/zinc/00/08/23/1045000823.db2.gz MFTMTECQSQJVKX-IAGOWNOFSA-N 1 0 386.544 3.990 20 30 GHEDRO CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001295438846 1045011838 /nfs/dbraw/zinc/01/18/38/1045011838.db2.gz WZECUEIWHDTWFI-FQEVSTJZSA-N 1 0 378.524 3.680 20 30 GHEDRO COC(=O)c1ccc(NCC2([N@H+](C)Cc3ccccc3)CCCCC2)c(C#N)n1 ZINC001307199839 1045164179 /nfs/dbraw/zinc/16/41/79/1045164179.db2.gz BZOVCHNTDSFWKT-UHFFFAOYSA-N 1 0 392.503 3.987 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001296040144 1045230792 /nfs/dbraw/zinc/23/07/92/1045230792.db2.gz VCWZQIZJLRKCCX-VGSWGCGISA-N 1 0 396.514 3.556 20 30 GHEDRO C=CCNC(=O)c1ccc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC001261220038 1045926319 /nfs/dbraw/zinc/92/63/19/1045926319.db2.gz BKMGVOIZUPCJMS-FRIKZZABSA-N 1 0 390.531 3.995 20 30 GHEDRO C#Cc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001261267471 1045949238 /nfs/dbraw/zinc/94/92/38/1045949238.db2.gz PAUOTIVRXRKYHP-HSZRJFAPSA-N 1 0 387.527 3.826 20 30 GHEDRO C#Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001261267472 1045949335 /nfs/dbraw/zinc/94/93/35/1045949335.db2.gz PAUOTIVRXRKYHP-QHCPKHFHSA-N 1 0 387.527 3.826 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](C1CC1)[NH+](C)C ZINC001300799223 1046166569 /nfs/dbraw/zinc/16/65/69/1046166569.db2.gz XYRPJQTVGULCKF-DENIHFKCSA-N 1 0 397.954 3.931 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300876464 1046220002 /nfs/dbraw/zinc/22/00/02/1046220002.db2.gz SVGBRBTXJDZUHO-NSHGMRRFSA-N 1 0 389.588 3.740 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001300913573 1046237711 /nfs/dbraw/zinc/23/77/11/1046237711.db2.gz XYHUEGBHYOADJE-MOPGFXCFSA-N 1 0 375.561 3.797 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001300982412 1046274324 /nfs/dbraw/zinc/27/43/24/1046274324.db2.gz HUHSXSCCDZOOSI-UXHICEINSA-N 1 0 397.567 3.765 20 30 GHEDRO C=C(Cl)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001301037668 1046301094 /nfs/dbraw/zinc/30/10/94/1046301094.db2.gz XHXOKNDDEUAMMK-UHFFFAOYSA-N 1 0 385.943 3.929 20 30 GHEDRO C=C(Cl)Cn1c(CC(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001301045966 1046306087 /nfs/dbraw/zinc/30/60/87/1046306087.db2.gz ZRIXVMGGMDWROG-GOSISDBHSA-N 1 0 387.959 3.940 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001301119020 1046354819 /nfs/dbraw/zinc/35/48/19/1046354819.db2.gz SIBFRRWAOZYNOH-HXUWFJFHSA-N 1 0 394.567 3.925 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301146125 1046372066 /nfs/dbraw/zinc/37/20/66/1046372066.db2.gz SCUHMLMITVVQFA-QZTJIDSGSA-N 1 0 382.556 3.559 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001262944752 1046441963 /nfs/dbraw/zinc/44/19/63/1046441963.db2.gz WPKRNBXANACJBR-WOJBJXKFSA-N 1 0 392.551 3.830 20 30 GHEDRO C=CCn1c(C[C@@H](C)SCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001262965687 1046455284 /nfs/dbraw/zinc/45/52/84/1046455284.db2.gz TVMHAHPPZCVYPW-QGZVFWFLSA-N 1 0 377.602 3.603 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001262965512 1046455409 /nfs/dbraw/zinc/45/54/09/1046455409.db2.gz PWUPYULTMSJVKW-MRXNPFEDSA-N 1 0 396.495 3.547 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001301295337 1046461186 /nfs/dbraw/zinc/46/11/86/1046461186.db2.gz IWCBFVLYEGELQV-HKUYNNGSSA-N 1 0 385.512 3.572 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001301311107 1046473782 /nfs/dbraw/zinc/47/37/82/1046473782.db2.gz YVCBBCWYGWPPBP-GUDVDZBRSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCN(c1nnc(C2CCC2)n1CC1(SC)CC[NH+](C)CC1)C1CC1 ZINC001301323781 1046487606 /nfs/dbraw/zinc/48/76/06/1046487606.db2.gz UYCWXHVZXSBMHV-UHFFFAOYSA-N 1 0 375.586 3.528 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001301339912 1046501415 /nfs/dbraw/zinc/50/14/15/1046501415.db2.gz ALIYPPKDZPMKAO-QFIPXVFZSA-N 1 0 390.535 3.668 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(CC)nnc1N1CCC(F)(F)CC1)C(C)C ZINC001301366660 1046511363 /nfs/dbraw/zinc/51/13/63/1046511363.db2.gz GSPHEJWLUHBIOR-KRWDZBQOSA-N 1 0 381.515 3.775 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001301374827 1046514370 /nfs/dbraw/zinc/51/43/70/1046514370.db2.gz FKALYAXLPBWCNT-NRFANRHFSA-N 1 0 390.535 3.870 20 30 GHEDRO C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301463545 1046551945 /nfs/dbraw/zinc/55/19/45/1046551945.db2.gz ZDMVZJODZSFIGI-NRFANRHFSA-N 1 0 394.567 3.542 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001301555741 1046595647 /nfs/dbraw/zinc/59/56/47/1046595647.db2.gz DCOCSYOBUDGVCV-RTBURBONSA-N 1 0 389.588 3.522 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001263285627 1046679919 /nfs/dbraw/zinc/67/99/19/1046679919.db2.gz KMFCZHZMKUMZNH-QHCPKHFHSA-N 1 0 397.567 3.645 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301959345 1046762189 /nfs/dbraw/zinc/76/21/89/1046762189.db2.gz MJBIMKNWTWURIO-KRWDZBQOSA-N 1 0 398.530 3.802 20 30 GHEDRO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)C#N ZINC001301958961 1046762271 /nfs/dbraw/zinc/76/22/71/1046762271.db2.gz JIISFNHIGWDLTD-INIZCTEOSA-N 1 0 388.947 3.925 20 30 GHEDRO CC(C)(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1ccc(C#N)o1 ZINC001302090156 1046808429 /nfs/dbraw/zinc/80/84/29/1046808429.db2.gz WBGMWIGRLRGDTE-UHFFFAOYSA-N 1 0 396.539 3.543 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001302631195 1047016101 /nfs/dbraw/zinc/01/61/01/1047016101.db2.gz PQTAHSZMOINGMZ-BATSVXPKSA-N 1 0 381.561 3.615 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(CC#N)c3)n2CC2CC2)C1 ZINC001263754884 1047094906 /nfs/dbraw/zinc/09/49/06/1047094906.db2.gz ZLEPOJSYOBNNGG-FQEVSTJZSA-N 1 0 392.551 3.589 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@H]21)[NH+](C)C ZINC001302811111 1047118064 /nfs/dbraw/zinc/11/80/64/1047118064.db2.gz DTVOLYURSQGWMD-NJDAHSKKSA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001303264124 1047329463 /nfs/dbraw/zinc/32/94/63/1047329463.db2.gz UTIBUMXNNWOZCQ-VQTJNVASSA-N 1 0 378.524 3.536 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2C(C)(C)C)C1 ZINC001303303890 1047350759 /nfs/dbraw/zinc/35/07/59/1047350759.db2.gz ASJMHPXNDMTSBK-AVRDEDQJSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@H](Cn1c(CCc2ccccc2)nnc1N(C)[C@@H](C)CC#N)C[NH+]1CCCC1 ZINC001303750888 1047504188 /nfs/dbraw/zinc/50/41/88/1047504188.db2.gz CWSKCYYYAXDMTB-PMACEKPBSA-N 1 0 394.567 3.534 20 30 GHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001264988177 1047534775 /nfs/dbraw/zinc/53/47/75/1047534775.db2.gz BVRBLHFTJMWGIZ-UEVCKROQSA-N 1 0 399.579 3.926 20 30 GHEDRO C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001303932973 1047537207 /nfs/dbraw/zinc/53/72/07/1047537207.db2.gz DATDTTGXRADHMF-QFIPXVFZSA-N 1 0 396.514 3.700 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001279273074 1047752657 /nfs/dbraw/zinc/75/26/57/1047752657.db2.gz REZWPIHAJFMWKL-HXUWFJFHSA-N 1 0 378.948 3.597 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCC2)C1 ZINC001305046807 1047855277 /nfs/dbraw/zinc/85/52/77/1047855277.db2.gz JQNQRYWHOJMNKO-IBGZPJMESA-N 1 0 392.551 3.929 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N1CC(F)(C2CC2)C1 ZINC001279830993 1047962635 /nfs/dbraw/zinc/96/26/35/1047962635.db2.gz CLLHOOSYXNMNOY-SFHVURJKSA-N 1 0 380.573 3.891 20 30 GHEDRO CCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1ccc(O)cc1O ZINC001279865389 1047972787 /nfs/dbraw/zinc/97/27/87/1047972787.db2.gz XSYAWCMXODDVSA-MRXNPFEDSA-N 1 0 378.538 3.814 20 30 GHEDRO N#Cc1c(NC(=O)C23CC([NH2+]CCC(F)(F)F)(C2)C3)sc2c1CCCC2 ZINC001279887118 1047980783 /nfs/dbraw/zinc/98/07/83/1047980783.db2.gz RNJOJHKBKSKCDE-UHFFFAOYSA-N 1 0 383.439 3.902 20 30 GHEDRO C=CCCNC(=S)N1CCC[C@@]2(C1)C[N@H+](C[C@@H](CC)CCCC)CCO2 ZINC001279936176 1047994028 /nfs/dbraw/zinc/99/40/28/1047994028.db2.gz FWYFRSMDNAVKNG-FPOVZHCZSA-N 1 0 381.630 3.820 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(Cl)cc2Cl)C3)C1 ZINC001279953042 1048005303 /nfs/dbraw/zinc/00/53/03/1048005303.db2.gz SFWOUQKLDBHDJJ-HGKCTWBKSA-N 1 0 392.330 3.823 20 30 GHEDRO CC(C)(C)NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001280076943 1048073204 /nfs/dbraw/zinc/07/32/04/1048073204.db2.gz LBXGDDYBHLPYSS-ORAYPTAESA-N 1 0 394.972 3.762 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[NH+](CC)CC ZINC001286286363 1048255481 /nfs/dbraw/zinc/25/54/81/1048255481.db2.gz XAYZIVIZAVXQHI-SFHVURJKSA-N 1 0 392.551 3.627 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286292784 1048258745 /nfs/dbraw/zinc/25/87/45/1048258745.db2.gz JTZFPJKLFKVJDM-CEWLAPEOSA-N 1 0 399.583 3.775 20 30 GHEDRO C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001286316070 1048269752 /nfs/dbraw/zinc/26/97/52/1048269752.db2.gz GGUBJYLUJGFDGA-HXUWFJFHSA-N 1 0 395.551 3.962 20 30 GHEDRO C#CCCCCn1c(CC2CC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001286333424 1048275074 /nfs/dbraw/zinc/27/50/74/1048275074.db2.gz GZTQWUBOBRYPPI-QFIPXVFZSA-N 1 0 397.611 3.982 20 30 GHEDRO C#CCCCn1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001286360930 1048288557 /nfs/dbraw/zinc/28/85/57/1048288557.db2.gz WRTQKERWMZTPGM-UHFFFAOYSA-N 1 0 397.542 3.840 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[NH+]1CCCC1 ZINC001286366132 1048291279 /nfs/dbraw/zinc/29/12/79/1048291279.db2.gz UWZXXSDMEKVZHC-UHFFFAOYSA-N 1 0 397.592 3.831 20 30 GHEDRO C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001286372042 1048296631 /nfs/dbraw/zinc/29/66/31/1048296631.db2.gz LHMMWKVWSPRUJG-QUCCMNQESA-N 1 0 395.551 3.719 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001286438700 1048321793 /nfs/dbraw/zinc/32/17/93/1048321793.db2.gz BEJYYAINILVMBQ-NRFANRHFSA-N 1 0 390.535 3.541 20 30 GHEDRO C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001286442483 1048324490 /nfs/dbraw/zinc/32/44/90/1048324490.db2.gz AYRXMUUKNVSPOA-SFHVURJKSA-N 1 0 390.535 3.618 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286449379 1048329270 /nfs/dbraw/zinc/32/92/70/1048329270.db2.gz VXECKSKMBGGQQY-GOSISDBHSA-N 1 0 385.581 3.512 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1([NH+](C)C)CCC1 ZINC001286451580 1048330728 /nfs/dbraw/zinc/33/07/28/1048330728.db2.gz LLJFFEZRJNJXMF-QGZVFWFLSA-N 1 0 399.514 3.501 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](CC)C(C)C ZINC001286567023 1048366824 /nfs/dbraw/zinc/36/68/24/1048366824.db2.gz RUMMNIAAEANAER-UHFFFAOYSA-N 1 0 380.540 3.949 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286570667 1048370223 /nfs/dbraw/zinc/37/02/23/1048370223.db2.gz DXKWVRPUBOVLSN-OAQYLSRUSA-N 1 0 385.581 3.785 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC1CC[NH+](CCC)CC1 ZINC001286578638 1048372395 /nfs/dbraw/zinc/37/23/95/1048372395.db2.gz GZAATHIWXVGJAV-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001286581673 1048375111 /nfs/dbraw/zinc/37/51/11/1048375111.db2.gz MSDICIBHMIXALI-WOJBJXKFSA-N 1 0 389.588 3.552 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001286643657 1048408175 /nfs/dbraw/zinc/40/81/75/1048408175.db2.gz QNGZWOMIEKZQOU-HXUWFJFHSA-N 1 0 395.551 3.985 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001286644051 1048409290 /nfs/dbraw/zinc/40/92/90/1048409290.db2.gz GFMHQENHPNLRMC-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001286647227 1048413873 /nfs/dbraw/zinc/41/38/73/1048413873.db2.gz CIEUJCZQIZEDIV-UHFFFAOYSA-N 1 0 397.542 3.896 20 30 GHEDRO C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286665124 1048431637 /nfs/dbraw/zinc/43/16/37/1048431637.db2.gz SPFVGGGXINTOMQ-IBGZPJMESA-N 1 0 393.579 3.948 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286720826 1048477298 /nfs/dbraw/zinc/47/72/98/1048477298.db2.gz OEFLBVGVFLUOGO-KDURUIRLSA-N 1 0 397.567 3.944 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001286724746 1048482091 /nfs/dbraw/zinc/48/20/91/1048482091.db2.gz SGEABBDXLKNTNX-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001286724617 1048482122 /nfs/dbraw/zinc/48/21/22/1048482122.db2.gz QABSVYIGNOMVMB-UHFFFAOYSA-N 1 0 385.531 3.752 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001286730162 1048487377 /nfs/dbraw/zinc/48/73/77/1048487377.db2.gz NRAOJIUBFQXBIG-NRFANRHFSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCCC1 ZINC001286752591 1048505375 /nfs/dbraw/zinc/50/53/75/1048505375.db2.gz ALCKXCLUHSNHGD-UHFFFAOYSA-N 1 0 390.535 3.871 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](C)C1)C(C)C ZINC001286751696 1048505531 /nfs/dbraw/zinc/50/55/31/1048505531.db2.gz SOHOWOKRPBPRCD-PZJWPPBQSA-N 1 0 394.567 3.885 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001286761003 1048514754 /nfs/dbraw/zinc/51/47/54/1048514754.db2.gz WJZQIEWKXKYSGT-LEWJYISDSA-N 1 0 395.551 3.919 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CC[NH+]1CCCCC1 ZINC001286764373 1048515491 /nfs/dbraw/zinc/51/54/91/1048515491.db2.gz NHEFSGLACGMRCO-UHFFFAOYSA-N 1 0 394.523 3.587 20 30 GHEDRO C=CCOc1ccc(Cn2c(C3CC3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001286797126 1048526343 /nfs/dbraw/zinc/52/63/43/1048526343.db2.gz RDACCRAHNDQZJY-QZTJIDSGSA-N 1 0 395.551 3.688 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001286800807 1048529087 /nfs/dbraw/zinc/52/90/87/1048529087.db2.gz REACLWASCCDDFA-NRSPTQNISA-N 1 0 397.567 3.876 20 30 GHEDRO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001306286739 1048543409 /nfs/dbraw/zinc/54/34/09/1048543409.db2.gz LQABKZWHORSUEA-NQIIRXRSSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286963602 1048554842 /nfs/dbraw/zinc/55/48/42/1048554842.db2.gz UVLRZVWDRDFGRJ-HZPDHXFCSA-N 1 0 398.942 3.679 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286964041 1048556203 /nfs/dbraw/zinc/55/62/03/1048556203.db2.gz ABTRHFHWZRQAJS-MAUKXSAKSA-N 1 0 396.470 3.576 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001306344923 1048583171 /nfs/dbraw/zinc/58/31/71/1048583171.db2.gz KZLSDUCFQPBDGP-XLIONFOSSA-N 1 0 380.540 3.926 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001287240008 1048677469 /nfs/dbraw/zinc/67/74/69/1048677469.db2.gz VHPJMBQDYMJDGF-NQIIRXRSSA-N 1 0 392.551 3.926 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001287266894 1048694030 /nfs/dbraw/zinc/69/40/30/1048694030.db2.gz IPXIIWNTHBQXOJ-HXUWFJFHSA-N 1 0 389.499 3.599 20 30 GHEDRO CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001306702979 1048832282 /nfs/dbraw/zinc/83/22/82/1048832282.db2.gz KYUYTOAODFKSJS-LJQANCHMSA-N 1 0 380.540 3.785 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001306830886 1048919243 /nfs/dbraw/zinc/91/92/43/1048919243.db2.gz LCYGBKJJTLFMMJ-UHFFFAOYSA-N 1 0 383.536 3.878 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(C2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001287920385 1048946136 /nfs/dbraw/zinc/94/61/36/1048946136.db2.gz KQAMHDHMLCYMJQ-UHFFFAOYSA-N 1 0 380.540 3.784 20 30 GHEDRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001306894601 1048948797 /nfs/dbraw/zinc/94/87/97/1048948797.db2.gz UJUYSLLDNDOQBU-MRXNPFEDSA-N 1 0 389.348 3.929 20 30 GHEDRO N#Cc1cc(F)c(N2CC[NH+](CCc3cccs3)CC2)cc1Br ZINC001306943032 1048971148 /nfs/dbraw/zinc/97/11/48/1048971148.db2.gz FNQYRRPPUZMPHH-UHFFFAOYSA-N 1 0 394.313 3.886 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(CC)cc3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001307032665 1049026735 /nfs/dbraw/zinc/02/67/35/1049026735.db2.gz VITISEMMAFLRBC-AZUAARDMSA-N 1 0 394.567 3.835 20 30 GHEDRO N#Cc1cc(Br)cnc1N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001307129515 1049094161 /nfs/dbraw/zinc/09/41/61/1049094161.db2.gz FCQCARLLFMEGCO-UHFFFAOYSA-N 1 0 377.330 3.951 20 30 GHEDRO C[C@H]1CN(c2cc(Br)c(C#N)cc2F)CCN1c1cc[nH+]cc1 ZINC001307196946 1049132664 /nfs/dbraw/zinc/13/26/64/1049132664.db2.gz IKGQIHDVSXWNOG-LBPRGKRZSA-N 1 0 375.245 3.570 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC001307789900 1049594208 /nfs/dbraw/zinc/59/42/08/1049594208.db2.gz UIPSHLDHYPYWJE-XLIONFOSSA-N 1 0 385.305 3.919 20 30 GHEDRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC001307799431 1049598802 /nfs/dbraw/zinc/59/88/02/1049598802.db2.gz PKBRZKPETMLACZ-FQEVSTJZSA-N 1 0 394.475 3.506 20 30 GHEDRO C[C@@]12CN(Cc3c(C#N)cccc3[N+](=O)[O-])C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001308008616 1049757508 /nfs/dbraw/zinc/75/75/08/1049757508.db2.gz MGCRLUWAEDCIBC-DHIUTWEWSA-N 1 0 390.487 3.810 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C#N)CCc3ccccc3)cc2)CC1 ZINC001290221316 1049765422 /nfs/dbraw/zinc/76/54/22/1049765422.db2.gz KTEAMIBLRAXYTE-HXUWFJFHSA-N 1 0 376.504 3.540 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001308023018 1049773353 /nfs/dbraw/zinc/77/33/53/1049773353.db2.gz UUIGTVRNKIXCRX-PKOBYXMFSA-N 1 0 385.508 3.788 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CC(=O)NCc3ccc(OC(F)F)cc3)CC2)cc1 ZINC001308114970 1049859028 /nfs/dbraw/zinc/85/90/28/1049859028.db2.gz SCFSATPYJYXBRP-UHFFFAOYSA-N 1 0 399.441 3.655 20 30 GHEDRO CCC[N@H+](C[C@H](O)c1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC001308153110 1049889318 /nfs/dbraw/zinc/88/93/18/1049889318.db2.gz FIAXILXUUJRMKC-DEOSSOPVSA-N 1 0 377.532 3.968 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]Cc2ccccc2Cn2cccn2)c1 ZINC001308188495 1049905609 /nfs/dbraw/zinc/90/56/09/1049905609.db2.gz RGRVSQRZWUSFJL-UHFFFAOYSA-N 1 0 381.277 3.855 20 30 GHEDRO Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001290759747 1049918945 /nfs/dbraw/zinc/91/89/45/1049918945.db2.gz BQXDGOZFLODBLC-UHFFFAOYSA-N 1 0 392.551 3.871 20 30 GHEDRO C=C[C@@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC001290805993 1049928727 /nfs/dbraw/zinc/92/87/27/1049928727.db2.gz JKWHWROCKNPXNV-XMMPIXPASA-N 1 0 391.559 3.983 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OCC)C2)ccc1OC ZINC001308376636 1049961862 /nfs/dbraw/zinc/96/18/62/1049961862.db2.gz QDYGRKHARCKQCV-MJGOQNOKSA-N 1 0 390.524 3.997 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)c(I)cc1C ZINC001308387406 1049964370 /nfs/dbraw/zinc/96/43/70/1049964370.db2.gz NLSKTAZYGQKODQ-RHSMWYFYSA-N 1 0 385.289 3.979 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC001327572968 1050219800 /nfs/dbraw/zinc/21/98/00/1050219800.db2.gz MTDLWSYKJBYBPF-UHFFFAOYSA-N 1 0 376.526 3.628 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccccc3C#N)cc2)C1 ZINC001309062981 1050313883 /nfs/dbraw/zinc/31/38/83/1050313883.db2.gz BXXLKGZWKBKOEU-HDICACEKSA-N 1 0 397.544 3.515 20 30 GHEDRO N#CC1(c2ccc(-c3nnc(CC[NH+]4CCN(c5ccccc5)CC4)o3)cc2)CC1 ZINC001327892365 1050317615 /nfs/dbraw/zinc/31/76/15/1050317615.db2.gz JJDQCTXFDOOXFV-UHFFFAOYSA-N 1 0 399.498 3.656 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC([NH+](CC)CC)CC1)c1ccc(Br)cc1 ZINC001328640363 1050570636 /nfs/dbraw/zinc/57/06/36/1050570636.db2.gz NLYGPUKCRFQBBQ-GOSISDBHSA-N 1 0 392.341 3.639 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cc2ccccc2s1)C(C)C ZINC001309406491 1050687988 /nfs/dbraw/zinc/68/79/88/1050687988.db2.gz UFOHCYSEGQUKKJ-QGZVFWFLSA-N 1 0 378.563 3.878 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC001310262225 1051256554 /nfs/dbraw/zinc/25/65/54/1051256554.db2.gz HQJWURWQRUJFIG-UHFFFAOYSA-N 1 0 387.430 3.620 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC001310304642 1051280778 /nfs/dbraw/zinc/28/07/78/1051280778.db2.gz KAOSQGXFDFBUKH-UHFFFAOYSA-N 1 0 387.883 3.916 20 30 GHEDRO CN(C)c1cc[nH+]c(CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c1 ZINC001310351391 1051302189 /nfs/dbraw/zinc/30/21/89/1051302189.db2.gz YFLWYFVXLUWAKQ-UHFFFAOYSA-N 1 0 388.431 3.528 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC001331962734 1051424797 /nfs/dbraw/zinc/42/47/97/1051424797.db2.gz NAPBDLFNTCREAV-UHFFFAOYSA-N 1 0 396.922 3.794 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001311144467 1051903098 /nfs/dbraw/zinc/90/30/98/1051903098.db2.gz ICWZNWUQINVQND-KRWDZBQOSA-N 1 0 396.457 3.925 20 30 GHEDRO N#CC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC001311216017 1051946920 /nfs/dbraw/zinc/94/69/20/1051946920.db2.gz MWDQGNFSBXFHPR-KURKYZTESA-N 1 0 394.441 3.527 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]CCCCc2nc(-c3cccnc3)cs2)cc1 ZINC001335365763 1052085553 /nfs/dbraw/zinc/08/55/53/1052085553.db2.gz JDDLDZKYITWZIF-FQEVSTJZSA-N 1 0 378.501 3.723 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC001335413165 1052095747 /nfs/dbraw/zinc/09/57/47/1052095747.db2.gz NDWNSXBXZBVHJI-NRFANRHFSA-N 1 0 387.886 3.638 20 30 GHEDRO O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001335460384 1052108416 /nfs/dbraw/zinc/10/84/16/1052108416.db2.gz NOXKLYPIOUNOEZ-UXHICEINSA-N 1 0 377.406 3.521 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001335634208 1052142314 /nfs/dbraw/zinc/14/23/14/1052142314.db2.gz UXLRTBDSCXVRGT-HLLBOEOZSA-N 1 0 390.578 3.640 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC001311954905 1052499607 /nfs/dbraw/zinc/49/96/07/1052499607.db2.gz TYXDVBIJNZMYLL-OAHLLOKOSA-N 1 0 376.932 3.911 20 30 GHEDRO C[N@H+](CCCOc1ccccc1CNC(=O)N1CCC[C@H](C#N)C1)C1CCCC1 ZINC001312150344 1052599661 /nfs/dbraw/zinc/59/96/61/1052599661.db2.gz YSAMUKZHFFQKIX-LJQANCHMSA-N 1 0 398.551 3.775 20 30 GHEDRO C[NH+]1CCC(CNC(=O)NCc2ccc(C#N)c(Cl)c2)(c2ccccc2)CC1 ZINC001312583364 1052799830 /nfs/dbraw/zinc/79/98/30/1052799830.db2.gz WEDLNHWPCPGMNS-UHFFFAOYSA-N 1 0 396.922 3.674 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312630205 1052817680 /nfs/dbraw/zinc/81/76/80/1052817680.db2.gz YZELGHXCXQLEMR-DHIUTWEWSA-N 1 0 377.532 3.995 20 30 GHEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001312902335 1052906769 /nfs/dbraw/zinc/90/67/69/1052906769.db2.gz UMBZDQMRNIYCLS-LEWJYISDSA-N 1 0 380.536 3.909 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)NCC3(C#N)CCCC3)cc2)C[C@H](C)O1 ZINC001312954862 1052920115 /nfs/dbraw/zinc/92/01/15/1052920115.db2.gz YVAMLLLGMZRNJQ-KDURUIRLSA-N 1 0 398.551 3.521 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)CC#N ZINC001313446919 1053057261 /nfs/dbraw/zinc/05/72/61/1053057261.db2.gz HYRGHLNWXXBWCX-ROUUACIJSA-N 1 0 396.539 3.566 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001342280515 1053069362 /nfs/dbraw/zinc/06/93/62/1053069362.db2.gz MBKAEVJDQFABNS-IBGZPJMESA-N 1 0 398.555 3.910 20 30 GHEDRO C=CCn1c([C@H]2CCCN2C)nnc1N1Cc2ccc(Br)cc2C1 ZINC001342299668 1053085191 /nfs/dbraw/zinc/08/51/91/1053085191.db2.gz QPDXWEQNGQKXCY-MRXNPFEDSA-N 1 0 388.313 3.514 20 30 GHEDRO C=CCn1c(-c2scnc2CC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342455459 1053178957 /nfs/dbraw/zinc/17/89/57/1053178957.db2.gz QLPDLRHNTMXJBQ-UHFFFAOYSA-N 1 0 386.569 3.605 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001313714909 1053186879 /nfs/dbraw/zinc/18/68/79/1053186879.db2.gz WHRCEQPEEBHRJL-PZJWPPBQSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CCCCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343052437 1053518864 /nfs/dbraw/zinc/51/88/64/1053518864.db2.gz FREUFVPLEKLQSG-IBGZPJMESA-N 1 0 389.588 3.923 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1(C)C ZINC001314663782 1053555387 /nfs/dbraw/zinc/55/53/87/1053555387.db2.gz ZVOWADMGKLMQOF-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001314740100 1053583328 /nfs/dbraw/zinc/58/33/28/1053583328.db2.gz MDMAUZPFJLMURT-UHFFFAOYSA-N 1 0 380.540 3.570 20 30 GHEDRO CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001343222220 1053631062 /nfs/dbraw/zinc/63/10/62/1053631062.db2.gz JPTHLPPUIVPSDL-FQEVSTJZSA-N 1 0 389.540 3.647 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001343232629 1053636988 /nfs/dbraw/zinc/63/69/88/1053636988.db2.gz JICLCRQBALFFSM-JBACZVJFSA-N 1 0 399.583 3.939 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001314925750 1053676265 /nfs/dbraw/zinc/67/62/65/1053676265.db2.gz ALYVCTLCFWMXRR-GCJKJVERSA-N 1 0 396.514 3.507 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nnc1C(C)(C)C#N ZINC001343314351 1053698381 /nfs/dbraw/zinc/69/83/81/1053698381.db2.gz CCUGWJVRSCAIRZ-MOPGFXCFSA-N 1 0 384.572 3.746 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1[C@@]12CCC=C1OCC2 ZINC001343403132 1053752358 /nfs/dbraw/zinc/75/23/58/1053752358.db2.gz AMEPTEXJPVAQBJ-WMZHIEFXSA-N 1 0 397.567 3.502 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001343583674 1053906697 /nfs/dbraw/zinc/90/66/97/1053906697.db2.gz SHIIJZSVRBICJJ-QRVBRYPASA-N 1 0 387.572 3.590 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3cccnc23)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001343703658 1053978433 /nfs/dbraw/zinc/97/84/33/1053978433.db2.gz BRNKQVSLMMPHJD-QGZVFWFLSA-N 1 0 393.539 3.566 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001343850226 1054066129 /nfs/dbraw/zinc/06/61/29/1054066129.db2.gz CHQUKANJBDDZOX-UXHICEINSA-N 1 0 382.556 3.574 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC001318339729 1054574365 /nfs/dbraw/zinc/57/43/65/1054574365.db2.gz ZABWBNJGHKRCIU-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC001318630350 1054759470 /nfs/dbraw/zinc/75/94/70/1054759470.db2.gz SBLXDGLVIMCVLD-CYBMUJFWSA-N 1 0 382.298 3.671 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1csc(C#N)c1 ZINC001344922532 1054805866 /nfs/dbraw/zinc/80/58/66/1054805866.db2.gz BTOZLNSSMLBRMT-UHFFFAOYSA-N 1 0 385.489 3.679 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC001318914246 1054948676 /nfs/dbraw/zinc/94/86/76/1054948676.db2.gz YYNONFFBPGDIJP-UHFFFAOYSA-N 1 0 387.487 3.625 20 30 GHEDRO C=CCn1cnn(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1=S ZINC001319326624 1055184500 /nfs/dbraw/zinc/18/45/00/1055184500.db2.gz MGXDUTDPAXZCEA-OAQYLSRUSA-N 1 0 383.565 3.546 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2F)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300449709 1056130140 /nfs/dbraw/zinc/13/01/40/1056130140.db2.gz MSJZYCBIENALQH-OALUTQOASA-N 1 0 397.542 3.912 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300468872 1056205983 /nfs/dbraw/zinc/20/59/83/1056205983.db2.gz OBWANUPYWVRLSB-PMACEKPBSA-N 1 0 393.579 3.615 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC#N)cc1 ZINC001322125132 1056528824 /nfs/dbraw/zinc/52/88/24/1056528824.db2.gz RDAIDBBDUIIWAQ-IBGZPJMESA-N 1 0 378.476 3.575 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300583115 1056544388 /nfs/dbraw/zinc/54/43/88/1056544388.db2.gz CLVNQKSVFPENBB-NHCUHLMSSA-N 1 0 397.611 3.698 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001300583108 1056544677 /nfs/dbraw/zinc/54/46/77/1056544677.db2.gz CIHSIJNWZUNUMU-QFIPXVFZSA-N 1 0 391.563 3.551 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCC[NH+](CC)CC ZINC001300606791 1056623531 /nfs/dbraw/zinc/62/35/31/1056623531.db2.gz URMNBQNVEICBPE-UHFFFAOYSA-N 1 0 379.508 3.883 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC001354855750 1056965083 /nfs/dbraw/zinc/96/50/83/1056965083.db2.gz DWVZFVNVEUBVPT-UHFFFAOYSA-N 1 0 396.478 3.535 20 30 GHEDRO CC(C)[C@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC001324148119 1057079442 /nfs/dbraw/zinc/07/94/42/1057079442.db2.gz RXVWOCYWBAWDSI-OAQYLSRUSA-N 1 0 389.565 3.558 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001355864387 1057298137 /nfs/dbraw/zinc/29/81/37/1057298137.db2.gz UZMDKOLYGICXPR-GGPKGHCWSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001355877942 1057302926 /nfs/dbraw/zinc/30/29/26/1057302926.db2.gz ZRDJXNUMTVOYGJ-KRWDZBQOSA-N 1 0 381.515 3.924 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001356100254 1057388854 /nfs/dbraw/zinc/38/88/54/1057388854.db2.gz KPCGGFJRJUHJTF-LMCOJAPRSA-N 1 0 399.583 3.588 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nnc1C(F)(F)c1ccccc1 ZINC001356362653 1057489354 /nfs/dbraw/zinc/48/93/54/1057489354.db2.gz WMWJCOJQAUKXBF-FUHWJXTLSA-N 1 0 387.478 3.525 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCNc1ncccc1C#N)c1ccc(Cl)cc1Cl ZINC000849058864 1057569895 /nfs/dbraw/zinc/56/98/95/1057569895.db2.gz QUPJZAJVGWJYIK-NSHDSACASA-N 1 0 377.279 3.547 20 30 GHEDRO COc1cc(CNC(=[NH+]Cc2ccccc2)N(C)C)ccc1OCC(F)(F)F ZINC000849061974 1057572111 /nfs/dbraw/zinc/57/21/11/1057572111.db2.gz IWMIJPAEVQZHFL-UHFFFAOYSA-N 1 0 395.425 3.844 20 30 GHEDRO Cn1c(CCCCC#N)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001338087722 1058398365 /nfs/dbraw/zinc/39/83/65/1058398365.db2.gz LMBGOXKPXPNXGW-SFTDATJTSA-N 1 0 392.551 3.542 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/C(=O)c3ccc(C)cc3)c(C)c2)CC1 ZINC001440611904 1058545268 /nfs/dbraw/zinc/54/52/68/1058545268.db2.gz FDDHEEUFSUPEQS-VAWYXSNFSA-N 1 0 391.515 3.823 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC001339040989 1058935439 /nfs/dbraw/zinc/93/54/39/1058935439.db2.gz PSEDOHNPJLYMPF-RPCJCACASA-N 1 0 399.332 3.814 20 30 GHEDRO C=CCn1c(N2CC[NH+]([C@H](C)c3ccccc3)CC2)nnc1C(C)(C)CC#N ZINC001339054932 1058941922 /nfs/dbraw/zinc/94/19/22/1058941922.db2.gz BEDWCXFYUQLQSO-GOSISDBHSA-N 1 0 378.524 3.539 20 30 GHEDRO C=CCn1c(N2CCC(C[NH+]3CCCCCC3)CC2)nnc1C(C)(C)CC#N ZINC001339058099 1058942831 /nfs/dbraw/zinc/94/28/31/1058942831.db2.gz YBTWCXJGLOIITA-UHFFFAOYSA-N 1 0 384.572 3.748 20 30 GHEDRO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001339207677 1059012716 /nfs/dbraw/zinc/01/27/16/1059012716.db2.gz MYXGKSKVRJGZII-UPRUFMODSA-N 1 0 392.551 3.782 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C)C(C)C ZINC001443432463 1059129887 /nfs/dbraw/zinc/12/98/87/1059129887.db2.gz WXPNSYPTHKCQDX-JTSKRJEESA-N 1 0 378.557 3.559 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001340223196 1059775161 /nfs/dbraw/zinc/77/51/61/1059775161.db2.gz BSVSPSLILFQHKG-PMACEKPBSA-N 1 0 384.572 3.964 20 30 GHEDRO C[C@@H]([NH2+]C1(C2CC2)CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001340921017 1060250102 /nfs/dbraw/zinc/25/01/02/1060250102.db2.gz ICEUBAVXQVPGIE-CQSZACIVSA-N 1 0 387.549 3.764 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2c(C)n[nH]c2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001341924516 1060952982 /nfs/dbraw/zinc/95/29/82/1060952982.db2.gz VNNVVNMKTLEXDH-INIZCTEOSA-N 1 0 399.587 3.657 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCOCC2(CC2)C1 ZINC001342018405 1060999233 /nfs/dbraw/zinc/99/92/33/1060999233.db2.gz CPDXOUHKJWFDEA-LJQANCHMSA-N 1 0 385.556 3.551 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2OCCCC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342151275 1061089176 /nfs/dbraw/zinc/08/91/76/1061089176.db2.gz ZPEUMAVLFPSAAQ-RBUKOAKNSA-N 1 0 389.588 3.837 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342210733 1061137513 /nfs/dbraw/zinc/13/75/13/1061137513.db2.gz GDKUYSFALBQAID-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO C=CCn1c(Cc2ccc(C#N)cc2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342247901 1061173215 /nfs/dbraw/zinc/17/32/15/1061173215.db2.gz SZPQRTCJKVSWCI-UHFFFAOYSA-N 1 0 392.551 3.546 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001346549040 1061674398 /nfs/dbraw/zinc/67/43/98/1061674398.db2.gz SMWYQLGZNNFEER-VURPSTOHSA-N 1 0 390.535 3.580 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001346645884 1061760311 /nfs/dbraw/zinc/76/03/11/1061760311.db2.gz AVQDHPNJAXRXRZ-IRXDYDNUSA-N 1 0 381.515 3.925 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001346671242 1061781820 /nfs/dbraw/zinc/78/18/20/1061781820.db2.gz SXJMJRNSBZQSHQ-INIZCTEOSA-N 1 0 385.478 3.832 20 30 GHEDRO C=C(C)Cn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001346693191 1061797407 /nfs/dbraw/zinc/79/74/07/1061797407.db2.gz ZQDQMTCVILKPLA-ZCNNSNEGSA-N 1 0 399.583 3.591 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001454577168 1061856413 /nfs/dbraw/zinc/85/64/13/1061856413.db2.gz PVOUGFXZXVTGLZ-INIZCTEOSA-N 1 0 378.259 3.603 20 30 GHEDRO Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1(C)CCCC1 ZINC001492877594 1061953330 /nfs/dbraw/zinc/95/33/30/1061953330.db2.gz YSFZEMGXNNZCTI-UHFFFAOYSA-N 1 0 392.551 3.751 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001435168171 1062353620 /nfs/dbraw/zinc/35/36/20/1062353620.db2.gz BFXNESIZWDULQW-ZOGYUUGASA-N 1 0 383.536 3.685 20 30 GHEDRO CC(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001347404582 1062357158 /nfs/dbraw/zinc/35/71/58/1062357158.db2.gz ZRVNMVOQLBZUSA-UHFFFAOYSA-N 1 0 394.567 3.739 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2CC)c2ccccc2)CC1 ZINC001455949439 1062366175 /nfs/dbraw/zinc/36/61/75/1062366175.db2.gz YABSHDRSASUYOO-HSZRJFAPSA-N 1 0 376.500 3.583 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC001456060605 1062455815 /nfs/dbraw/zinc/45/58/15/1062455815.db2.gz RTJIEOYCYAISAZ-UHFFFAOYSA-N 1 0 383.923 3.961 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001435421181 1062592405 /nfs/dbraw/zinc/59/24/05/1062592405.db2.gz CDALUQYMLVEKSM-AUSIDOKSSA-N 1 0 393.531 3.988 20 30 GHEDRO C#CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001435655915 1062818592 /nfs/dbraw/zinc/81/85/92/1062818592.db2.gz FDQFZDSEAZYJMV-OEMFJLHTSA-N 1 0 388.511 3.729 20 30 GHEDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC001435666024 1062830290 /nfs/dbraw/zinc/83/02/90/1062830290.db2.gz WJXZUVVCXXBNEU-FDFHNCONSA-N 1 0 389.499 3.597 20 30 GHEDRO N#Cc1cccc2[nH]cc(C(=O)Nc3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)cc3)c21 ZINC001348132270 1062931247 /nfs/dbraw/zinc/93/12/47/1062931247.db2.gz YDGBRIQQTNWQNX-LJQANCHMSA-N 1 0 385.471 3.576 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC001457208075 1063028253 /nfs/dbraw/zinc/02/82/53/1063028253.db2.gz RVRINLAKLKMCFT-NKSQBSFPSA-N 1 0 382.479 3.997 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001458288934 1063724993 /nfs/dbraw/zinc/72/49/93/1063724993.db2.gz QWUMPAIXAJHEGW-UHFFFAOYSA-N 1 0 380.448 3.596 20 30 GHEDRO CC(C)N(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437035236 1063745913 /nfs/dbraw/zinc/74/59/13/1063745913.db2.gz YGNDZJOYUVQGEY-DENIHFKCSA-N 1 0 391.515 3.837 20 30 GHEDRO CC[C@H](C#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001437153528 1063771795 /nfs/dbraw/zinc/77/17/95/1063771795.db2.gz SJQATRZLDHOWRA-CQOQZXRMSA-N 1 0 375.516 3.837 20 30 GHEDRO C[N@@H+]1C[C@@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)[C@H](c2ccccc2)C1 ZINC001458454759 1063818071 /nfs/dbraw/zinc/81/80/71/1063818071.db2.gz OBOJXMYTWNEVDT-WBVHZDCISA-N 1 0 396.416 3.703 20 30 GHEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC001459526598 1064121181 /nfs/dbraw/zinc/12/11/81/1064121181.db2.gz FCGBGDHDUQDXFL-NFBKMPQASA-N 1 0 396.579 3.542 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001459696859 1064174857 /nfs/dbraw/zinc/17/48/57/1064174857.db2.gz VWGACLFVNCCBDQ-QZTJIDSGSA-N 1 0 389.565 3.963 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439109607 1064176957 /nfs/dbraw/zinc/17/69/57/1064176957.db2.gz FCCLIDDYCNTOEO-NIDLKEISSA-N 1 0 387.527 3.717 20 30 GHEDRO C#CC[C@H]([NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001459849936 1064242954 /nfs/dbraw/zinc/24/29/54/1064242954.db2.gz LXWAHGNBPURART-UPVQGACJSA-N 1 0 392.499 3.504 20 30 GHEDRO N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCC[N@@H+]3C3CCCC3)n2CC2CC2)C1 ZINC001351465059 1064461819 /nfs/dbraw/zinc/46/18/19/1064461819.db2.gz AJCRLUGYPFZZJW-GHTZIAJQSA-N 1 0 386.519 3.600 20 30 GHEDRO N#CC1(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001351510467 1064490596 /nfs/dbraw/zinc/49/05/96/1064490596.db2.gz CGWMNJMWELUZJT-UHFFFAOYSA-N 1 0 398.850 3.536 20 30 GHEDRO C=CCn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001351779099 1064597967 /nfs/dbraw/zinc/59/79/67/1064597967.db2.gz YIAYBTPPTNKJSZ-QHCPKHFHSA-N 1 0 394.567 3.644 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCc2cccc(C#N)c2)CC1 ZINC001351972500 1064738701 /nfs/dbraw/zinc/73/87/01/1064738701.db2.gz OIFDUUIBJYJLRP-IBGZPJMESA-N 1 0 390.531 3.968 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC001352149968 1064885641 /nfs/dbraw/zinc/88/56/41/1064885641.db2.gz FSTDNTBXNIGZAK-NSHGMRRFSA-N 1 0 387.572 3.795 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC001464209940 1064908551 /nfs/dbraw/zinc/90/85/51/1064908551.db2.gz YEWXIGLOORABTR-UHFFFAOYSA-N 1 0 389.565 3.517 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC001464504357 1065050664 /nfs/dbraw/zinc/05/06/64/1065050664.db2.gz RNUTVRRQZMPRLU-GOSISDBHSA-N 1 0 381.561 3.617 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 ZINC001464946873 1065285843 /nfs/dbraw/zinc/28/58/43/1065285843.db2.gz HCYGZBWYNUVCRH-IBGZPJMESA-N 1 0 389.540 3.610 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1CNC(=O)OC(C)(C)C ZINC001352848855 1065371282 /nfs/dbraw/zinc/37/12/82/1065371282.db2.gz DWRNSFTUAJRPLG-QGZVFWFLSA-N 1 0 387.524 3.900 20 30 GHEDRO Cn1ccnc1CCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001352878772 1065404180 /nfs/dbraw/zinc/40/41/80/1065404180.db2.gz UGKZQJWZAWZSOX-UHFFFAOYSA-N 1 0 397.294 3.682 20 30 GHEDRO CCCCCCCCCCNC(=S)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001200209271 1065590065 /nfs/dbraw/zinc/59/00/65/1065590065.db2.gz CFHFVRBLFDVNRU-IBGZPJMESA-N 1 0 393.645 3.892 20 30 GHEDRO CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC001465516103 1065682333 /nfs/dbraw/zinc/68/23/33/1065682333.db2.gz BQXHTAXQXOGJLB-LJQANCHMSA-N 1 0 396.466 3.834 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300291548 1065937807 /nfs/dbraw/zinc/93/78/07/1065937807.db2.gz TWEQYEPBUFKPDJ-YLJYHZDGSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300293167 1065940685 /nfs/dbraw/zinc/94/06/85/1065940685.db2.gz OREITICWSAWMPM-ICSRJNTNSA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC[NH+](C(C)C)C(C)C ZINC001300313497 1065972853 /nfs/dbraw/zinc/97/28/53/1065972853.db2.gz JQGZXYXWBQJZEP-GOSISDBHSA-N 1 0 385.531 3.585 20 30 GHEDRO CC(C)(COCC(F)F)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746301 1066017615 /nfs/dbraw/zinc/01/76/15/1066017615.db2.gz DHYCKRQTFCWEEK-UHFFFAOYSA-N 1 0 394.462 3.643 20 30 GHEDRO CC(C)(C)n1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000847746769 1066027637 /nfs/dbraw/zinc/02/76/37/1066027637.db2.gz QAFSZBZZKMBHDA-UHFFFAOYSA-N 1 0 380.492 3.601 20 30 GHEDRO CCCOc1cccnc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747929 1066033759 /nfs/dbraw/zinc/03/37/59/1066033759.db2.gz SPIKQJHQHWNVLW-UHFFFAOYSA-N 1 0 393.487 3.833 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2CCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847748989 1066038343 /nfs/dbraw/zinc/03/83/43/1066038343.db2.gz LARICLBZAPERTB-OAQYLSRUSA-N 1 0 390.483 3.902 20 30 GHEDRO CCc1nc(C)c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000847749714 1066042675 /nfs/dbraw/zinc/04/26/75/1066042675.db2.gz ZHOVURYXAXSICL-UHFFFAOYSA-N 1 0 383.517 3.977 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001466342522 1066103060 /nfs/dbraw/zinc/10/30/60/1066103060.db2.gz CZFDIOWUNUPZOV-STQMWFEESA-N 1 0 384.402 3.699 20 30 GHEDRO C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001300383762 1066147913 /nfs/dbraw/zinc/14/79/13/1066147913.db2.gz HCIJSQCKEDPQBH-QFIPXVFZSA-N 1 0 391.563 3.765 20 30 GHEDRO Cc1cc(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)c(C#N)cc1N(C)C ZINC001466762815 1066301287 /nfs/dbraw/zinc/30/12/87/1066301287.db2.gz YAOPIGKVXUPZHH-UHFFFAOYSA-N 1 0 393.535 3.571 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCC[N@H+]1CC ZINC001300430149 1066311840 /nfs/dbraw/zinc/31/18/40/1066311840.db2.gz IEVVFYGBAWLSAJ-QZTJIDSGSA-N 1 0 399.514 3.501 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(CC)CCC[NH+](C)C ZINC001466817359 1066334257 /nfs/dbraw/zinc/33/42/57/1066334257.db2.gz ZYMJTEVZHSVFTA-UHFFFAOYSA-N 1 0 384.318 3.819 20 30 GHEDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC001467167917 1067115117 /nfs/dbraw/zinc/11/51/17/1067115117.db2.gz NHCZFOUALVFYTJ-OXJNMPFZSA-N 1 0 378.476 3.741 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(OC)c(C#N)c1 ZINC001467168057 1067116140 /nfs/dbraw/zinc/11/61/40/1067116140.db2.gz NYZQBHXGGYXHMY-UHFFFAOYSA-N 1 0 386.418 3.695 20 30 GHEDRO CCCN(C(=O)COc1cccc(C#N)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357521921 1067144857 /nfs/dbraw/zinc/14/48/57/1067144857.db2.gz WMPOVFWZJUOHDN-QFIPXVFZSA-N 1 0 391.515 3.840 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)cc2)C1 ZINC001467311642 1067217489 /nfs/dbraw/zinc/21/74/89/1067217489.db2.gz KEXSTEJMKASIIO-PBHICJAKSA-N 1 0 382.430 3.562 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001467689396 1067422037 /nfs/dbraw/zinc/42/20/37/1067422037.db2.gz OGZXTKCPJRWTII-QHCPKHFHSA-N 1 0 377.532 3.921 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC001467728596 1067439585 /nfs/dbraw/zinc/43/95/85/1067439585.db2.gz MVGKUTYAJMBPPN-UHFFFAOYSA-N 1 0 381.489 3.572 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC001467909600 1067523870 /nfs/dbraw/zinc/52/38/70/1067523870.db2.gz FOJPNEIGUKXDQA-UHFFFAOYSA-N 1 0 393.453 3.717 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001358879832 1067592618 /nfs/dbraw/zinc/59/26/18/1067592618.db2.gz ZHAFYRHJLNYORV-JLHGSKIFSA-N 1 0 383.540 3.815 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001358894273 1067601110 /nfs/dbraw/zinc/60/11/10/1067601110.db2.gz LSDVBFLUEHOZJF-LAUBAEHRSA-N 1 0 379.552 3.554 20 30 GHEDRO C#CCCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001358909234 1067607926 /nfs/dbraw/zinc/60/79/26/1067607926.db2.gz YNHIXMAPOINQJO-MSOLQXFVSA-N 1 0 383.515 3.807 20 30 GHEDRO C#CCCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001358929606 1067617259 /nfs/dbraw/zinc/61/72/59/1067617259.db2.gz DPSYZCWOMWRQTB-QUCCMNQESA-N 1 0 383.584 3.733 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001358944891 1067625367 /nfs/dbraw/zinc/62/53/67/1067625367.db2.gz LWTJACOURDMTBM-GOSISDBHSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001358990366 1067638209 /nfs/dbraw/zinc/63/82/09/1067638209.db2.gz LONYNHZNVXFOPC-NRFANRHFSA-N 1 0 389.547 3.673 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](C)CC)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001358999850 1067642399 /nfs/dbraw/zinc/64/23/99/1067642399.db2.gz FLIJFDHDIQDAOR-IRLDBZIGSA-N 1 0 393.579 3.816 20 30 GHEDRO C#CCN(CC)c1nnc(CC(C)(C)C)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001359010038 1067651318 /nfs/dbraw/zinc/65/13/18/1067651318.db2.gz DZPNRBDRLNYZMJ-IBGZPJMESA-N 1 0 393.579 3.773 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CC[NH+]1CCCC1 ZINC001359115753 1067694428 /nfs/dbraw/zinc/69/44/28/1067694428.db2.gz MCLOOFAWSUFBHC-UHFFFAOYSA-N 1 0 397.567 3.972 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001359123743 1067697637 /nfs/dbraw/zinc/69/76/37/1067697637.db2.gz KCUWXSSDCOLOHR-LJQANCHMSA-N 1 0 383.540 3.580 20 30 GHEDRO C=C(Cn1c(-c2ccccn2)nnc1N1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001359138359 1067704251 /nfs/dbraw/zinc/70/42/51/1067704251.db2.gz RYNFGDVYBICSBL-UHFFFAOYSA-N 1 0 388.519 3.584 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001359163743 1067718870 /nfs/dbraw/zinc/71/88/70/1067718870.db2.gz QOYSNPLJZQGAJJ-LJQANCHMSA-N 1 0 380.540 3.761 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001359163771 1067718889 /nfs/dbraw/zinc/71/88/89/1067718889.db2.gz RPVHPLRKAXYGSF-LJQANCHMSA-N 1 0 382.556 3.781 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001359166263 1067720284 /nfs/dbraw/zinc/72/02/84/1067720284.db2.gz LLUDZEPIYGBSMS-HXUWFJFHSA-N 1 0 379.552 3.818 20 30 GHEDRO C=CC(C)(C)CCNC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC001468500921 1067753468 /nfs/dbraw/zinc/75/34/68/1067753468.db2.gz MEYAWLKCJBVXLW-KRWDZBQOSA-N 1 0 390.547 3.930 20 30 GHEDRO C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359202813 1067773341 /nfs/dbraw/zinc/77/33/41/1067773341.db2.gz CBTPKWKZGJCCQJ-LJQANCHMSA-N 1 0 389.588 3.697 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359242512 1067854174 /nfs/dbraw/zinc/85/41/74/1067854174.db2.gz HXVDXQBBGUTSMC-LJQANCHMSA-N 1 0 387.597 3.921 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001468873278 1067914973 /nfs/dbraw/zinc/91/49/73/1067914973.db2.gz QATYYBIOQJKVOM-HXUWFJFHSA-N 1 0 382.533 3.988 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001468941161 1067933250 /nfs/dbraw/zinc/93/32/50/1067933250.db2.gz YNGHDPFVLCWXIJ-JOCHJYFZSA-N 1 0 377.532 3.502 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359271546 1067938477 /nfs/dbraw/zinc/93/84/77/1067938477.db2.gz XOMFHWCCUUAWJL-WOJBJXKFSA-N 1 0 387.572 3.963 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCC[C@H]1C ZINC001359272757 1067940998 /nfs/dbraw/zinc/94/09/98/1067940998.db2.gz BABQOLWSUJLGTH-GOSISDBHSA-N 1 0 383.515 3.671 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC001477905720 1078620827 /nfs/dbraw/zinc/62/08/27/1078620827.db2.gz JVLXVNRSQVHZIY-GOSISDBHSA-N 1 0 379.504 3.627 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCc1cccc(C#N)c1 ZINC001469089553 1067975365 /nfs/dbraw/zinc/97/53/65/1067975365.db2.gz FMEAJHRHPQVVFZ-XXBNENTESA-N 1 0 390.531 3.653 20 30 GHEDRO C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359342995 1068038490 /nfs/dbraw/zinc/03/84/90/1068038490.db2.gz JZFCCNSDCRYIHP-UHFFFAOYSA-N 1 0 379.618 3.753 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC001469291399 1068083849 /nfs/dbraw/zinc/08/38/49/1068083849.db2.gz XTPYBFPSEWLKEG-GOSISDBHSA-N 1 0 389.540 3.570 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359778688 1068181518 /nfs/dbraw/zinc/18/15/18/1068181518.db2.gz PVPWPNHPLMAKAN-QUCCMNQESA-N 1 0 386.588 3.870 20 30 GHEDRO C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001469756184 1068363010 /nfs/dbraw/zinc/36/30/10/1068363010.db2.gz ICIVJOAPXFHZAM-QZTJIDSGSA-N 1 0 376.504 3.927 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C2CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001360474498 1068522376 /nfs/dbraw/zinc/52/23/76/1068522376.db2.gz PGSAXPWQFDVJFX-QGZVFWFLSA-N 1 0 392.551 3.731 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)[NH+](C)C ZINC001360544329 1068551462 /nfs/dbraw/zinc/55/14/62/1068551462.db2.gz HFNGBMQCNGNZAL-HNNXBMFYSA-N 1 0 386.931 3.679 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC001460085377 1068772130 /nfs/dbraw/zinc/77/21/30/1068772130.db2.gz NOCQWQRJXRDTCG-KPOBHBOGSA-N 1 0 385.895 3.886 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC001460160364 1068822723 /nfs/dbraw/zinc/82/27/23/1068822723.db2.gz IPZPQCUEUUXPLU-LLGFUMIMSA-N 1 0 375.472 3.583 20 30 GHEDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001460278634 1068903534 /nfs/dbraw/zinc/90/35/34/1068903534.db2.gz SFWLFXQPSVKZPB-XMMPIXPASA-N 1 0 390.458 3.522 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460280310 1068904571 /nfs/dbraw/zinc/90/45/71/1068904571.db2.gz TWNJNQIZWJKACD-MONBJTKQSA-N 1 0 399.535 3.967 20 30 GHEDRO COc1ccc(F)cc1-c1cncc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC001460354638 1068938544 /nfs/dbraw/zinc/93/85/44/1068938544.db2.gz AIYBVACWXDJMKE-QFIPXVFZSA-N 1 0 391.446 3.933 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460572834 1069001860 /nfs/dbraw/zinc/00/18/60/1069001860.db2.gz ZDVZQBZPEBVTIX-GOSISDBHSA-N 1 0 391.298 3.857 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460628529 1069041723 /nfs/dbraw/zinc/04/17/23/1069041723.db2.gz WHNATFMHGBJXJT-FYYLOGMGSA-N 1 0 396.579 3.908 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001478392956 1078848707 /nfs/dbraw/zinc/84/87/07/1078848707.db2.gz FMTWZXMPOUMBQH-AUSIDOKSSA-N 1 0 393.531 3.913 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](c2ccccc2)CC1 ZINC001460952028 1069293693 /nfs/dbraw/zinc/29/36/93/1069293693.db2.gz SLNWBPGPBARKII-HNAYVOBHSA-N 1 0 395.528 3.899 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)C1 ZINC001460950392 1069294047 /nfs/dbraw/zinc/29/40/47/1069294047.db2.gz QJCAPIMWYZJRMV-NZQKXSOJSA-N 1 0 399.535 3.847 20 30 GHEDRO CCC[C@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001470628973 1072655895 /nfs/dbraw/zinc/65/58/95/1072655895.db2.gz SVTIRCGHDCILQH-QHCPKHFHSA-N 1 0 390.531 3.949 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(Cl)cc1F ZINC001470664877 1072675725 /nfs/dbraw/zinc/67/57/25/1072675725.db2.gz ANXVZMPBDLLZNK-MOPGFXCFSA-N 1 0 388.874 3.541 20 30 GHEDRO C#C[C@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1)C1CCOCC1 ZINC001470866490 1072779506 /nfs/dbraw/zinc/77/95/06/1072779506.db2.gz SNCURTHHMZKUSR-QFIPXVFZSA-N 1 0 397.563 3.549 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1)C1CCOCC1 ZINC001470866488 1072779757 /nfs/dbraw/zinc/77/97/57/1072779757.db2.gz SNCURTHHMZKUSR-JOCHJYFZSA-N 1 0 397.563 3.549 20 30 GHEDRO C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001470904109 1072803239 /nfs/dbraw/zinc/80/32/39/1072803239.db2.gz IWDDILTXCINPRS-WOJBJXKFSA-N 1 0 378.605 3.567 20 30 GHEDRO C=C[C@H](C)NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001471037257 1072896394 /nfs/dbraw/zinc/89/63/94/1072896394.db2.gz LWUGFHISOFMKJL-BULFRSBZSA-N 1 0 379.504 3.537 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCC#C[C@H]2CCCCO2)CCCCC1 ZINC001471254076 1072984293 /nfs/dbraw/zinc/98/42/93/1072984293.db2.gz DVWYFHVDLQAQOF-JOCHJYFZSA-N 1 0 397.563 3.693 20 30 GHEDRO C#C[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccc(Cl)cc1 ZINC001478895766 1079018550 /nfs/dbraw/zinc/01/85/50/1079018550.db2.gz ICHXGXJMSSRIPO-HJNYFJLDSA-N 1 0 393.918 3.930 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1)c1ccccc1 ZINC001478897040 1079019209 /nfs/dbraw/zinc/01/92/09/1079019209.db2.gz RWBJJXCUVQKCGG-GOTSBHOMSA-N 1 0 375.516 3.913 20 30 GHEDRO CCCC[N@H+](CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC001473148873 1073808513 /nfs/dbraw/zinc/80/85/13/1073808513.db2.gz KPDGIFWAWHUCEA-UHFFFAOYSA-N 1 0 382.508 3.653 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]2(CO)CC(C)C)ccc1Cl ZINC001473441032 1073964131 /nfs/dbraw/zinc/96/41/31/1073964131.db2.gz IJTMKZHCJJSMAM-NRFANRHFSA-N 1 0 391.943 3.768 20 30 GHEDRO CC1(C)CC[C@H]([NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@H](c2ccccc2)C1 ZINC001473743955 1074119612 /nfs/dbraw/zinc/11/96/12/1074119612.db2.gz YFAVUHWWVKSEDF-OALUTQOASA-N 1 0 375.476 3.759 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)C1 ZINC001473788879 1074143267 /nfs/dbraw/zinc/14/32/67/1074143267.db2.gz WPBGXISLGKOAEP-LJQANCHMSA-N 1 0 384.483 3.823 20 30 GHEDRO C#CC[N@H+](C[C@H]1CCC2(CCC2)CO1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473797733 1074146870 /nfs/dbraw/zinc/14/68/70/1074146870.db2.gz RSJNVCZYJWUQCC-LJQANCHMSA-N 1 0 376.541 3.670 20 30 GHEDRO Cc1ccc(C)c(C2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC001473863055 1074179823 /nfs/dbraw/zinc/17/98/23/1074179823.db2.gz PIUXSOZMJCRECZ-QFIPXVFZSA-N 1 0 378.516 3.989 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001474112464 1074267359 /nfs/dbraw/zinc/26/73/59/1074267359.db2.gz GPSMITBEEFUOSP-FQEVSTJZSA-N 1 0 398.934 3.733 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1OC ZINC001474232135 1074302172 /nfs/dbraw/zinc/30/21/72/1074302172.db2.gz SEVSVQQKRUFITC-HOCLYGCPSA-N 1 0 381.822 3.951 20 30 GHEDRO Fc1cc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1OCC(F)(F)F ZINC001474264876 1074316425 /nfs/dbraw/zinc/31/64/25/1074316425.db2.gz GJVJTNBMMMSRLB-GWCFXTLKSA-N 1 0 375.284 3.966 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc1OC ZINC001474273619 1074320079 /nfs/dbraw/zinc/32/00/79/1074320079.db2.gz VCAKUMZCFRMHDT-UVFQYZLESA-N 1 0 381.900 3.730 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1OCC ZINC001474273739 1074320937 /nfs/dbraw/zinc/32/09/37/1074320937.db2.gz HJRUMABISYTXHU-CZUORRHYSA-N 1 0 383.330 3.595 20 30 GHEDRO CC(C)(C)CC[C@H](C[NH2+]CCNc1ccc(C#N)cn1)NC(=O)OC(C)(C)C ZINC001474721879 1074533198 /nfs/dbraw/zinc/53/31/98/1074533198.db2.gz MSWQHSYRLVLYSZ-QGZVFWFLSA-N 1 0 389.544 3.674 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)cc1 ZINC001474960678 1074654080 /nfs/dbraw/zinc/65/40/80/1074654080.db2.gz DBFWEWKPYAJSQT-GOSISDBHSA-N 1 0 378.582 3.984 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N(CCC#N)CC1CC1 ZINC001493843649 1079302779 /nfs/dbraw/zinc/30/27/79/1079302779.db2.gz DCUXYQLJSBLIEN-SFHVURJKSA-N 1 0 378.524 3.559 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001493846807 1079303615 /nfs/dbraw/zinc/30/36/15/1079303615.db2.gz XVOXVOXQFFODDK-XMSQKQJNSA-N 1 0 378.524 3.559 20 30 GHEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C1)[NH+]1CCCCC1 ZINC001493919872 1079308429 /nfs/dbraw/zinc/30/84/29/1079308429.db2.gz FSWIRECHCICZSP-RTBURBONSA-N 1 0 392.551 3.927 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001475362859 1074849195 /nfs/dbraw/zinc/84/91/95/1074849195.db2.gz UCRWPJSFEMJFFP-UHFFFAOYSA-N 1 0 391.581 3.764 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001476056716 1075076554 /nfs/dbraw/zinc/07/65/54/1075076554.db2.gz JWTTTYAOVJBULH-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCc1c(Cl)cccc1-n1ccnc1 ZINC001476059497 1075077273 /nfs/dbraw/zinc/07/72/73/1075077273.db2.gz NPEMIGOJEYSPJC-UHFFFAOYSA-N 1 0 381.823 3.728 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(OCc3ccccc3C)c2)CC1 ZINC001476140973 1075093812 /nfs/dbraw/zinc/09/38/12/1075093812.db2.gz IBUMWILSBCWOQT-UHFFFAOYSA-N 1 0 377.488 3.793 20 30 GHEDRO C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)[NH+]1CCCCC1 ZINC001476200476 1075102552 /nfs/dbraw/zinc/10/25/52/1075102552.db2.gz PEYRAHYJGGBBJA-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1C#N ZINC001476314107 1075123101 /nfs/dbraw/zinc/12/31/01/1075123101.db2.gz URCIUVZTORVRDM-QGZVFWFLSA-N 1 0 399.495 3.655 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001497836731 1079519078 /nfs/dbraw/zinc/51/90/78/1079519078.db2.gz RLFRMSHSGZFTSM-ROUUACIJSA-N 1 0 380.540 3.588 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(CC#N)CC1 ZINC001500998439 1079622797 /nfs/dbraw/zinc/62/27/97/1079622797.db2.gz OHPNBDSTTYIPGD-FQEVSTJZSA-N 1 0 386.588 3.871 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1OC ZINC001657799886 1126261196 /nfs/dbraw/zinc/26/11/96/1126261196.db2.gz OKAFNIJPEGIJPM-GOSISDBHSA-N 1 0 375.896 3.915 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001460974762 1069309124 /nfs/dbraw/zinc/30/91/24/1069309124.db2.gz RYRHLMBCKQGFLQ-VQTJNVASSA-N 1 0 387.524 3.703 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736789813 600593224 /nfs/dbraw/zinc/59/32/24/600593224.db2.gz RHJAMHULFHBFGP-HTAPYJJXSA-N 1 0 377.488 3.848 20 30 GHEDRO C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830860234 600752703 /nfs/dbraw/zinc/75/27/03/600752703.db2.gz OXUULEXLOCTBGK-QFIPXVFZSA-N 1 0 389.455 3.699 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828258427 601300664 /nfs/dbraw/zinc/30/06/64/601300664.db2.gz RYEFETDCMMDEBD-VGSWGCGISA-N 1 0 377.488 3.848 20 30 GHEDRO C=CCc1cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)cc(OC)c1O ZINC000823937033 608531382 /nfs/dbraw/zinc/53/13/82/608531382.db2.gz FOXALTDBVRBNHH-UHFFFAOYSA-N 1 0 393.491 3.720 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621919 719047069 /nfs/dbraw/zinc/04/70/69/719047069.db2.gz KEXJKFOESSLKIB-VQIMIIECSA-N 1 0 388.849 3.735 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164840434 720666200 /nfs/dbraw/zinc/66/62/00/720666200.db2.gz MMXIZESCONARDH-GOSISDBHSA-N 1 0 396.922 3.867 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(CC#N)cc3Cl)C[C@H]21 ZINC001165024567 721828456 /nfs/dbraw/zinc/82/84/56/721828456.db2.gz KMHUJGDTRQLKKT-FBBABVLZSA-N 1 0 395.938 3.933 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047461 721973701 /nfs/dbraw/zinc/97/37/01/721973701.db2.gz HLCUVFDHCPNBEN-SFHVURJKSA-N 1 0 383.540 3.783 20 30 GHEDRO Cn1c2ccc(Cl)cc2nc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000580766801 837403561 /nfs/dbraw/zinc/40/35/61/837403561.db2.gz RBVXBZWWHCZCJS-UHFFFAOYSA-N 1 0 381.911 3.662 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc2c(c1)OCCO2 ZINC000180641189 837428804 /nfs/dbraw/zinc/42/88/04/837428804.db2.gz MWTNCQYLPMQGEF-MRXNPFEDSA-N 1 0 385.489 3.687 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431779178 837457761 /nfs/dbraw/zinc/45/77/61/837457761.db2.gz RCKGKZISLJAINM-UHFFFAOYSA-N 1 0 387.527 3.736 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000510281970 837519450 /nfs/dbraw/zinc/51/94/50/837519450.db2.gz HICLYQMYTXMBQE-UHFFFAOYSA-N 1 0 399.897 3.922 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188743056 837540667 /nfs/dbraw/zinc/54/06/67/837540667.db2.gz OQBYKPBJHOWHQO-UHFFFAOYSA-N 1 0 376.378 3.803 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Nc2ccn(CCC#N)n2)C1 ZINC000173333565 837688761 /nfs/dbraw/zinc/68/87/61/837688761.db2.gz GVYZBPNNAOVLFA-HDICACEKSA-N 1 0 394.523 3.596 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000583483830 834470172 /nfs/dbraw/zinc/47/01/72/834470172.db2.gz MAZOWVNJCPBXNL-DNVCBOLYSA-N 1 0 383.883 3.811 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ncc(F)c(-c4ccsc4)n3)CC2)cc1 ZINC000583489908 834487157 /nfs/dbraw/zinc/48/71/57/834487157.db2.gz XMHHHTGJDXOZRK-UHFFFAOYSA-N 1 0 393.491 3.928 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 ZINC000654748302 834496739 /nfs/dbraw/zinc/49/67/39/834496739.db2.gz ZMTDJJASDRYTLI-UHFFFAOYSA-N 1 0 382.426 3.774 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2SC)CC1 ZINC000654749596 834497999 /nfs/dbraw/zinc/49/79/99/834497999.db2.gz RLGRIVGKTKYTDI-UHFFFAOYSA-N 1 0 383.355 3.941 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583554950 834631936 /nfs/dbraw/zinc/63/19/36/834631936.db2.gz BJQSDRYWMFEIHL-DKZVUGQWSA-N 1 0 380.536 3.888 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3ccc(C#N)cc3[N+](=O)[O-])C2)s1 ZINC000583567486 834652447 /nfs/dbraw/zinc/65/24/47/834652447.db2.gz AEPATKXFTLMKTL-QGZVFWFLSA-N 1 0 384.505 3.790 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000245861775 834749732 /nfs/dbraw/zinc/74/97/32/834749732.db2.gz DMOJLQITVAQALQ-HNTVYWHESA-N 1 0 396.579 3.646 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC2(CC#N)CC2)cc1 ZINC000430184465 834842548 /nfs/dbraw/zinc/84/25/48/834842548.db2.gz FAOXWKASFLQJSQ-UHFFFAOYSA-N 1 0 376.504 3.908 20 30 GHEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000246280259 834851937 /nfs/dbraw/zinc/85/19/37/834851937.db2.gz WSACHKQMFXSRIN-FUHIMQAGSA-N 1 0 380.454 3.631 20 30 GHEDRO Cc1nccn1-c1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000329365979 834913594 /nfs/dbraw/zinc/91/35/94/834913594.db2.gz IJKWODLFRLJJHZ-IBGZPJMESA-N 1 0 399.514 3.684 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157564670 834942117 /nfs/dbraw/zinc/94/21/17/834942117.db2.gz NZVMSSNAGHZMTG-WMZOPIPTSA-N 1 0 381.524 3.933 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001125727879 834996633 /nfs/dbraw/zinc/99/66/33/834996633.db2.gz RLATXHANRPTPAI-UNMCSNQZSA-N 1 0 399.535 3.811 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000610196027 835005253 /nfs/dbraw/zinc/00/52/53/835005253.db2.gz HLJPDSIEXSRTHC-UHFFFAOYSA-N 1 0 397.523 3.633 20 30 GHEDRO COc1ccc(CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccccc2)cc1 ZINC000126862522 835032486 /nfs/dbraw/zinc/03/24/86/835032486.db2.gz CHEPBIOXVJBTPG-XMMPIXPASA-N 1 0 391.515 3.548 20 30 GHEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000657792977 835035375 /nfs/dbraw/zinc/03/53/75/835035375.db2.gz PSCGHBXADDSYRM-QGZVFWFLSA-N 1 0 381.394 3.930 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000548812703 835075870 /nfs/dbraw/zinc/07/58/70/835075870.db2.gz VEELJBLWGJSIOO-FQEVSTJZSA-N 1 0 398.576 3.977 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433323895 844016443 /nfs/dbraw/zinc/01/64/43/844016443.db2.gz ZVTDIXYZLDDFRF-FQEVSTJZSA-N 1 0 383.879 3.644 20 30 GHEDRO N#Cc1c(Cl)cccc1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413573759 835147787 /nfs/dbraw/zinc/14/77/87/835147787.db2.gz CQWZWGVAAUGIGN-UHFFFAOYSA-N 1 0 382.895 3.521 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000685549294 835154126 /nfs/dbraw/zinc/15/41/26/835154126.db2.gz APYJQAZIMHVEAI-CTAFRAEOSA-N 1 0 395.551 3.661 20 30 GHEDRO COc1ccc([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1 ZINC000187166004 835213283 /nfs/dbraw/zinc/21/32/83/835213283.db2.gz GMFILUVPPCUCOY-QFIPXVFZSA-N 1 0 389.499 3.552 20 30 GHEDRO COc1cc(C)cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000278782662 835324563 /nfs/dbraw/zinc/32/45/63/835324563.db2.gz XLPONOATVWUZCS-UHFFFAOYSA-N 1 0 380.492 3.779 20 30 GHEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000471168770 835370676 /nfs/dbraw/zinc/37/06/76/835370676.db2.gz LIWDFTVJYCTSOG-IBGZPJMESA-N 1 0 382.895 3.751 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000248087949 835403556 /nfs/dbraw/zinc/40/35/56/835403556.db2.gz SYXFMWINJUAMLN-LEWJYISDSA-N 1 0 394.475 3.738 20 30 GHEDRO N#CCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000151371148 835408469 /nfs/dbraw/zinc/40/84/69/835408469.db2.gz UUWQQTYUOKCFRS-QFIPXVFZSA-N 1 0 376.504 3.949 20 30 GHEDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000176991992 835436107 /nfs/dbraw/zinc/43/61/07/835436107.db2.gz XXNFXQLQMNCXNV-UHFFFAOYSA-N 1 0 396.874 3.771 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)ccc1Cl ZINC000248158629 835437548 /nfs/dbraw/zinc/43/75/48/835437548.db2.gz RTFOGOIHPDGVEJ-UWJYYQICSA-N 1 0 389.927 3.522 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2cccc(Cl)c2)c(-c2ccncc2)n1 ZINC000278581751 835470761 /nfs/dbraw/zinc/47/07/61/835470761.db2.gz FYQMLHPDRANXTA-UHFFFAOYSA-N 1 0 381.867 3.681 20 30 GHEDRO COc1cc(Br)ccc1CCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000612106711 835495377 /nfs/dbraw/zinc/49/53/77/835495377.db2.gz HHXAJGWJWUTDEY-GOSISDBHSA-N 1 0 394.357 3.556 20 30 GHEDRO CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329641247 835506979 /nfs/dbraw/zinc/50/69/79/835506979.db2.gz XOWUTCCUZKHJEA-KBRMVUAJSA-N 1 0 397.563 3.958 20 30 GHEDRO C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000647376126 835511364 /nfs/dbraw/zinc/51/13/64/835511364.db2.gz NJRHHMOQFHDNDS-QZTJIDSGSA-N 1 0 389.588 3.693 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCc1nccs1 ZINC000157721719 835519974 /nfs/dbraw/zinc/51/99/74/835519974.db2.gz RQAKKJGVJZKWQN-UHFFFAOYSA-N 1 0 388.562 3.848 20 30 GHEDRO CCCOc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278625967 835575912 /nfs/dbraw/zinc/57/59/12/835575912.db2.gz KCPVKNXDTRUNJS-UHFFFAOYSA-N 1 0 375.476 3.937 20 30 GHEDRO COc1ccc(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278648776 835695914 /nfs/dbraw/zinc/69/59/14/835695914.db2.gz 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Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415121804 839243065 /nfs/dbraw/zinc/24/30/65/839243065.db2.gz KOECJHLKDDVRAD-GOSISDBHSA-N 1 0 388.418 3.550 20 30 GHEDRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541120672 839307064 /nfs/dbraw/zinc/30/70/64/839307064.db2.gz OFRFBNVIINDPEJ-SFHVURJKSA-N 1 0 394.519 3.554 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCCC1 ZINC000511560157 839311311 /nfs/dbraw/zinc/31/13/11/839311311.db2.gz DOASSZBBBBZKOU-SFHVURJKSA-N 1 0 395.425 3.969 20 30 GHEDRO C[C@H](CCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000610434522 839377710 /nfs/dbraw/zinc/37/77/10/839377710.db2.gz BNGMUSSKEPEQBJ-XXBNENTESA-N 1 0 390.531 3.554 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511567704 839440373 /nfs/dbraw/zinc/44/03/73/839440373.db2.gz QOXGSVIUMYTZCL-ZWKOTPCHSA-N 1 0 383.414 3.680 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)ccc1OC ZINC000363920603 839565908 /nfs/dbraw/zinc/56/59/08/839565908.db2.gz BMXJCORSWHYPSZ-GUDVDZBRSA-N 1 0 382.508 3.926 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000569332993 839619543 /nfs/dbraw/zinc/61/95/43/839619543.db2.gz MTSSJXADEBBFGJ-PBHICJAKSA-N 1 0 376.909 3.874 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000610445853 839735429 /nfs/dbraw/zinc/73/54/29/839735429.db2.gz AWUHKMUIQLSHLB-SFTDATJTSA-N 1 0 396.922 3.600 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549275089 839751860 /nfs/dbraw/zinc/75/18/60/839751860.db2.gz UQBVIHWFFWGDHT-NRFANRHFSA-N 1 0 393.535 3.595 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCc3ccccc3CC2)ccc1Cl ZINC001167421388 839865265 /nfs/dbraw/zinc/86/52/65/839865265.db2.gz RWTULMJBOJDSGP-UHFFFAOYSA-N 1 0 381.907 3.996 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)CCSCc3ccccc3)CC2)cc1 ZINC000471600216 839880768 /nfs/dbraw/zinc/88/07/68/839880768.db2.gz ADDODSFVSIVHKK-UHFFFAOYSA-N 1 0 379.529 3.526 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)F ZINC000415515191 839889336 /nfs/dbraw/zinc/88/93/36/839889336.db2.gz HRDPMYFFQJNWDF-UWVGGRQHSA-N 1 0 393.278 3.591 20 30 GHEDRO CCN(C(=O)Nc1ccc(C#N)cc1OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548118261 839890887 /nfs/dbraw/zinc/89/08/87/839890887.db2.gz CMWXUJWNEJYBSG-LJQANCHMSA-N 1 0 378.476 3.695 20 30 GHEDRO CCCc1c(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000415557145 839973033 /nfs/dbraw/zinc/97/30/33/839973033.db2.gz CXDUESQUPRBVIF-LJQANCHMSA-N 1 0 394.523 3.726 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000512552201 844504875 /nfs/dbraw/zinc/50/48/75/844504875.db2.gz KNLVCGOSSLYWOT-UHFFFAOYSA-N 1 0 380.488 3.542 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512552947 844509512 /nfs/dbraw/zinc/50/95/12/844509512.db2.gz WLQICQLFISOXOQ-NRFANRHFSA-N 1 0 377.492 3.519 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418439908 840227042 /nfs/dbraw/zinc/22/70/42/840227042.db2.gz GNJKRGJKWWPQDS-UHFFFAOYSA-N 1 0 375.561 3.864 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000584577951 840262868 /nfs/dbraw/zinc/26/28/68/840262868.db2.gz CPHGUVZLNIQUGL-IXDOHACOSA-N 1 0 394.450 3.999 20 30 GHEDRO COCCOc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160664063 840343467 /nfs/dbraw/zinc/34/34/67/840343467.db2.gz DIUUCRUVYXFPAL-UHFFFAOYSA-N 1 0 383.370 3.537 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3cccc(C4(C#N)CCOCC4)c3)cc2)CC1 ZINC001167436960 840353828 /nfs/dbraw/zinc/35/38/28/840353828.db2.gz IXWSSHMXSDRUPW-UHFFFAOYSA-N 1 0 390.531 3.622 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)nc2)CC1 ZINC000053745155 840416989 /nfs/dbraw/zinc/41/69/89/840416989.db2.gz DBXWMEFFDJOPSS-UHFFFAOYSA-N 1 0 397.482 3.624 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418540738 840440364 /nfs/dbraw/zinc/44/03/64/840440364.db2.gz GRXAHNAKZUVBOI-VXKWHMMOSA-N 1 0 379.504 3.539 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000580964998 840533969 /nfs/dbraw/zinc/53/39/69/840533969.db2.gz QYKNSASAYUZVJR-PBHICJAKSA-N 1 0 390.471 3.584 20 30 GHEDRO N#CCCn1ncc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1-c1ccccc1 ZINC000584756813 840782703 /nfs/dbraw/zinc/78/27/03/840782703.db2.gz WJHCBLXFTQIAMS-HXUWFJFHSA-N 1 0 391.519 3.554 20 30 GHEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000046955678 844576059 /nfs/dbraw/zinc/57/60/59/844576059.db2.gz NIDZKBNWJWHVOL-FQEVSTJZSA-N 1 0 392.503 3.795 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417398268 840816950 /nfs/dbraw/zinc/81/69/50/840816950.db2.gz YRQJMBOMCVUIIJ-VBKZILBWSA-N 1 0 378.432 3.851 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511825738 840873258 /nfs/dbraw/zinc/87/32/58/840873258.db2.gz YKTLEIOEMKFYLT-SCTDSRPQSA-N 1 0 381.442 3.986 20 30 GHEDRO Cc1c(F)c(F)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000417541412 840973467 /nfs/dbraw/zinc/97/34/67/840973467.db2.gz RDJYIZUZKXTXDH-UHFFFAOYSA-N 1 0 384.430 3.885 20 30 GHEDRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CCC#N)CC1 ZINC000581308151 841053551 /nfs/dbraw/zinc/05/35/51/841053551.db2.gz YOXUUPGLKHTLBH-HNNXBMFYSA-N 1 0 392.341 3.812 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]C2CCN(CC#N)CC2)c2ccc(OC)cc2)cc1 ZINC000610813082 844611470 /nfs/dbraw/zinc/61/14/70/844611470.db2.gz YMBLTSMUNPDHFA-QHCPKHFHSA-N 1 0 379.504 3.565 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000500042005 841311278 /nfs/dbraw/zinc/31/12/78/841311278.db2.gz VKBWLQLYXGZGHM-HSZRJFAPSA-N 1 0 385.515 3.828 20 30 GHEDRO CC[NH2+]CC1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000417988677 841365983 /nfs/dbraw/zinc/36/59/83/841365983.db2.gz PUMBPIQYZFPPMB-UHFFFAOYSA-N 1 0 376.504 3.756 20 30 GHEDRO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000328795540 841476961 /nfs/dbraw/zinc/47/69/61/841476961.db2.gz CINJYYVAKYNPQA-RTBURBONSA-N 1 0 377.916 3.834 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C[C@@H]1C ZINC000500121678 841486154 /nfs/dbraw/zinc/48/61/54/841486154.db2.gz NDLNOFLRLBWHQE-RBUKOAKNSA-N 1 0 393.535 3.635 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1=S ZINC000160913502 841489124 /nfs/dbraw/zinc/48/91/24/841489124.db2.gz GBOGOCJZDFNZSS-HNNXBMFYSA-N 1 0 377.583 3.558 20 30 GHEDRO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599453475 861207262 /nfs/dbraw/zinc/20/72/62/861207262.db2.gz RQKZNLRTKLJENP-QAPCUYQASA-N 1 0 392.927 3.729 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000418153226 841582250 /nfs/dbraw/zinc/58/22/50/841582250.db2.gz YWXKOPRXVDFJBH-QFIPXVFZSA-N 1 0 389.499 3.630 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC000623579041 861221122 /nfs/dbraw/zinc/22/11/22/861221122.db2.gz KROKCTOQISMMAG-UHFFFAOYSA-N 1 0 381.442 3.814 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000651822025 841660931 /nfs/dbraw/zinc/66/09/31/841660931.db2.gz HJEIIICLWKQMLC-UEXGIBASSA-N 1 0 390.593 3.950 20 30 GHEDRO O=C(N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810472 841682764 /nfs/dbraw/zinc/68/27/64/841682764.db2.gz AUPVBHUJIWEHHG-LSDHHAIUSA-N 1 0 398.322 3.645 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc(OC)c1O ZINC000600197572 861237588 /nfs/dbraw/zinc/23/75/88/861237588.db2.gz RWLCORMTOGGUOR-QAPCUYQASA-N 1 0 375.509 3.929 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000481387384 861239592 /nfs/dbraw/zinc/23/95/92/861239592.db2.gz BMPJNMSOJCDPHM-XIKOKIGWSA-N 1 0 375.856 3.726 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000481387383 861239611 /nfs/dbraw/zinc/23/96/11/861239611.db2.gz BMPJNMSOJCDPHM-SGTLLEGYSA-N 1 0 375.856 3.726 20 30 GHEDRO CC[C@@H](C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000566642655 841849696 /nfs/dbraw/zinc/84/96/96/841849696.db2.gz LHHWOMKUSDYTEW-AUUYWEPGSA-N 1 0 391.924 3.757 20 30 GHEDRO C=CCCC1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000661529845 841852556 /nfs/dbraw/zinc/85/25/56/841852556.db2.gz BILVKNIUCVLQNP-UXHICEINSA-N 1 0 377.573 3.580 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418342071 841861907 /nfs/dbraw/zinc/86/19/07/841861907.db2.gz IFTCVFLXUUUCQQ-CQSZACIVSA-N 1 0 398.320 3.676 20 30 GHEDRO C#CCO[C@@H](C)C(=O)N(CC[NH+](CC)CC)Cc1ccc(Cl)c(Cl)c1 ZINC001125936670 841864137 /nfs/dbraw/zinc/86/41/37/841864137.db2.gz UZWFRGXWXOHXKI-HNNXBMFYSA-N 1 0 385.335 3.702 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000418348202 841866191 /nfs/dbraw/zinc/86/61/91/841866191.db2.gz OIOSGXOUPVSLPX-LJQANCHMSA-N 1 0 394.494 3.799 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000053611428 841872386 /nfs/dbraw/zinc/87/23/86/841872386.db2.gz BMTQCUQSRAPAJF-UHFFFAOYSA-N 1 0 397.906 3.633 20 30 GHEDRO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662888602 841902616 /nfs/dbraw/zinc/90/26/16/841902616.db2.gz CCDKOWFNIXOOIW-JTQLQIEISA-N 1 0 388.274 3.698 20 30 GHEDRO COc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+](C)C)cc1OC ZINC000255358144 841978525 /nfs/dbraw/zinc/97/85/25/841978525.db2.gz ILZFZOKDBZFOSY-VFOSSOBBSA-N 1 0 379.460 3.679 20 30 GHEDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000581745900 842138356 /nfs/dbraw/zinc/13/83/56/842138356.db2.gz WREYSUZVVQKHIW-UHFFFAOYSA-N 1 0 389.459 3.555 20 30 GHEDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329313891 861277132 /nfs/dbraw/zinc/27/71/32/861277132.db2.gz AVDNSORWKBYEGI-WOJBJXKFSA-N 1 0 384.524 3.527 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cnc1N1CCCC[C@@H]1C ZINC000329316346 861278448 /nfs/dbraw/zinc/27/84/48/861278448.db2.gz CXQKXEIUPJBHRB-KRWDZBQOSA-N 1 0 385.556 3.969 20 30 GHEDRO N#Cc1cccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000127293704 842205983 /nfs/dbraw/zinc/20/59/83/842205983.db2.gz UTTYATNWZOIBOJ-UHFFFAOYSA-N 1 0 378.476 3.745 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCC[C@@H]1c1ccccc1 ZINC000329321077 861284932 /nfs/dbraw/zinc/28/49/32/861284932.db2.gz GMXJMZMVMAVFLX-VSKRKVRLSA-N 1 0 385.552 3.896 20 30 GHEDRO CC(C)c1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000603840903 861286802 /nfs/dbraw/zinc/28/68/02/861286802.db2.gz JYJQZGSAFGFNBB-OAQYLSRUSA-N 1 0 394.515 3.965 20 30 GHEDRO CN(C)C(=O)C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000581830916 842253287 /nfs/dbraw/zinc/25/32/87/842253287.db2.gz OWQIXPNBEDZJFW-LJQANCHMSA-N 1 0 390.405 3.746 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC3(CCOCC3)CC2)ccc1Cl ZINC000585755718 842265179 /nfs/dbraw/zinc/26/51/79/842265179.db2.gz CFCGTZISPPMSBV-UHFFFAOYSA-N 1 0 389.927 3.788 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000581840292 842268195 /nfs/dbraw/zinc/26/81/95/842268195.db2.gz CJYFLMOKOQCLGZ-IAGOWNOFSA-N 1 0 379.426 3.640 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[N@H+](Cc3ccccc3C)CC2)c(C#N)c1C ZINC000610542600 842287995 /nfs/dbraw/zinc/28/79/95/842287995.db2.gz GLBKJWVNSAYTRB-UHFFFAOYSA-N 1 0 396.560 3.691 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)CC1 ZINC000329342658 861305235 /nfs/dbraw/zinc/30/52/35/861305235.db2.gz PQUMEESVJFAEIT-UHFFFAOYSA-N 1 0 387.505 3.618 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875543 861306934 /nfs/dbraw/zinc/30/69/34/861306934.db2.gz AIBSQIQUYHCFGA-UHFFFAOYSA-N 1 0 388.943 3.738 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000278996292 842439844 /nfs/dbraw/zinc/43/98/44/842439844.db2.gz JFZIUFVJCVTCEU-UHFFFAOYSA-N 1 0 390.443 3.543 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](n2ncc3ccccc32)C1)C(C)C ZINC000510488645 842564117 /nfs/dbraw/zinc/56/41/17/842564117.db2.gz IJAKWEBIKLEKTA-UNMCSNQZSA-N 1 0 395.551 3.691 20 30 GHEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000328848809 842614764 /nfs/dbraw/zinc/61/47/64/842614764.db2.gz REQMQRWBJMIRRI-QGZVFWFLSA-N 1 0 381.476 3.647 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1C#N ZINC000245879332 842621714 /nfs/dbraw/zinc/62/17/14/842621714.db2.gz NCLLTNCDBISIEY-PBFBIOBFSA-N 1 0 382.508 3.971 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000429805527 842731237 /nfs/dbraw/zinc/73/12/37/842731237.db2.gz FMAUUJFNDZOSCA-UHFFFAOYSA-N 1 0 393.512 3.952 20 30 GHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1cccc(C)c1 ZINC000188247320 842848444 /nfs/dbraw/zinc/84/84/44/842848444.db2.gz FPTMTBSYBQWHIJ-UHFFFAOYSA-N 1 0 399.608 3.948 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000028347905 861352894 /nfs/dbraw/zinc/35/28/94/861352894.db2.gz FBSZZFYZARHPFP-GJZGRUSLSA-N 1 0 376.460 3.585 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000512191844 842895449 /nfs/dbraw/zinc/89/54/49/842895449.db2.gz AOGFOGQLPPKLDT-GZNCHQMQSA-N 1 0 382.552 3.916 20 30 GHEDRO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062397 842997592 /nfs/dbraw/zinc/99/75/92/842997592.db2.gz VYNNGPGBHBEIEY-HRAATJIYSA-N 1 0 379.529 3.840 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](O)c3cc(F)cc(Cl)c3)CC2)cc1 ZINC000279614475 843167399 /nfs/dbraw/zinc/16/73/99/843167399.db2.gz XRYCJMKPSGDARJ-OAQYLSRUSA-N 1 0 387.886 3.638 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000512273697 843293486 /nfs/dbraw/zinc/29/34/86/843293486.db2.gz GIIHUMZIRVQZJF-UHFFFAOYSA-N 1 0 379.529 3.987 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CCC[NH2+]1 ZINC000662473188 843302965 /nfs/dbraw/zinc/30/29/65/843302965.db2.gz YNYRTOQULLLLST-UZUQRXQVSA-N 1 0 377.488 3.814 20 30 GHEDRO CCC[C@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCOC1 ZINC000512277361 843303679 /nfs/dbraw/zinc/30/36/79/843303679.db2.gz NINBWTSBOFQIMY-QHCPKHFHSA-N 1 0 394.519 3.512 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2cccc(COCCOc3ccccc3)c2)CCC[NH2+]1 ZINC000662486825 843326008 /nfs/dbraw/zinc/32/60/08/843326008.db2.gz DJTNJYHNEZREOY-HSZRJFAPSA-N 1 0 380.488 3.919 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)c(OC)c1 ZINC000512315407 843366980 /nfs/dbraw/zinc/36/69/80/843366980.db2.gz TZPGIJVDTYXETJ-YADHBBJMSA-N 1 0 381.516 3.653 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662598459 843434828 /nfs/dbraw/zinc/43/48/28/843434828.db2.gz UAWBZTPCIBYMML-OAQYLSRUSA-N 1 0 390.549 3.571 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000329434877 861419696 /nfs/dbraw/zinc/41/96/96/861419696.db2.gz LHYAYHCXVCEVFP-GKYDQMIMSA-N 1 0 396.535 3.578 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000610683784 843547256 /nfs/dbraw/zinc/54/72/56/843547256.db2.gz HFABMMUKXDTMCL-FQEVSTJZSA-N 1 0 375.472 3.873 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)cc(OC)c1O ZINC000500506351 843553840 /nfs/dbraw/zinc/55/38/40/843553840.db2.gz CKUPBWDSHLAHEP-NRFANRHFSA-N 1 0 390.483 3.822 20 30 GHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330305186 843621101 /nfs/dbraw/zinc/62/11/01/843621101.db2.gz KTIIOPOGQLHQQR-MSOLQXFVSA-N 1 0 385.533 3.925 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC000155649262 861441655 /nfs/dbraw/zinc/44/16/55/861441655.db2.gz QREOFBFFPCJPJK-KNQAVFIVSA-N 1 0 375.472 3.907 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000247497405 843720114 /nfs/dbraw/zinc/72/01/14/843720114.db2.gz USWUWVVZSAIALL-VGOFRKELSA-N 1 0 377.488 3.549 20 30 GHEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000512428793 843764133 /nfs/dbraw/zinc/76/41/33/843764133.db2.gz ZFCUBLBBGBJBGD-WMZOPIPTSA-N 1 0 377.916 3.602 20 30 GHEDRO CCN(C(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000134775404 843794420 /nfs/dbraw/zinc/79/44/20/843794420.db2.gz JMDJLVNYEZVODB-AVRDEDQJSA-N 1 0 376.504 3.925 20 30 GHEDRO Cn1cc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000433205817 843833379 /nfs/dbraw/zinc/83/33/79/843833379.db2.gz FFUCPHFBECJERY-UHFFFAOYSA-N 1 0 386.499 3.605 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000092481100 843843264 /nfs/dbraw/zinc/84/32/64/843843264.db2.gz WNBSSLBJDUCWER-UHFFFAOYSA-N 1 0 398.551 3.965 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000411734917 843867720 /nfs/dbraw/zinc/86/77/20/843867720.db2.gz YOTSIVKHQHCITM-VQTJNVASSA-N 1 0 385.414 3.755 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](COC(F)F)C3)sc2C1 ZINC000512845497 843877614 /nfs/dbraw/zinc/87/76/14/843877614.db2.gz SYQABGSIYWQKME-CHWSQXEVSA-N 1 0 397.491 3.634 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000500725237 843896784 /nfs/dbraw/zinc/89/67/84/843896784.db2.gz OVTIKWDPJLQDHL-SFHVURJKSA-N 1 0 397.548 3.992 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000731111735 861471911 /nfs/dbraw/zinc/47/19/11/861471911.db2.gz YOABDZAVWLFFAD-QFIPXVFZSA-N 1 0 393.487 3.666 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C2 ZINC000599676352 861474174 /nfs/dbraw/zinc/47/41/74/861474174.db2.gz BBJWRNRSNTZSLA-QGZVFWFLSA-N 1 0 390.405 3.569 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(F)c1 ZINC000512478858 843960151 /nfs/dbraw/zinc/96/01/51/843960151.db2.gz FIYGKALNAGZDIY-MRXNPFEDSA-N 1 0 384.430 3.870 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1)C(C)C ZINC000726053502 843980850 /nfs/dbraw/zinc/98/08/50/843980850.db2.gz FBQHCCOTXYPNKY-SFHVURJKSA-N 1 0 399.535 3.805 20 30 GHEDRO CN(Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000433301831 843990897 /nfs/dbraw/zinc/99/08/97/843990897.db2.gz GQLLYZJZNSZSDB-HNNXBMFYSA-N 1 0 395.406 3.756 20 30 GHEDRO Cc1ccc(C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccn2)cc1 ZINC000573764000 844664340 /nfs/dbraw/zinc/66/43/40/844664340.db2.gz UWSXAJVHGIQESW-URXFXBBRSA-N 1 0 387.483 3.575 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000247646574 844665449 /nfs/dbraw/zinc/66/54/49/844665449.db2.gz KMCRKMJGGBFWHO-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)c1 ZINC000512590750 844678129 /nfs/dbraw/zinc/67/81/29/844678129.db2.gz RLUYSBLJAAJLOS-UHFFFAOYSA-N 1 0 385.471 3.595 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000067283581 844743949 /nfs/dbraw/zinc/74/39/49/844743949.db2.gz UJSNDHNMMGVCCG-UHFFFAOYSA-N 1 0 392.503 3.943 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)cc1 ZINC000614447183 844884599 /nfs/dbraw/zinc/88/45/99/844884599.db2.gz ZUKGCUZHTMLSJI-FQEVSTJZSA-N 1 0 388.552 3.585 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000176296604 844913793 /nfs/dbraw/zinc/91/37/93/844913793.db2.gz BFJCYRPFDHCNCE-RTWAWAEBSA-N 1 0 376.504 3.665 20 30 GHEDRO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433033522 845029330 /nfs/dbraw/zinc/02/93/30/845029330.db2.gz PXHRCIPCAQLFJN-SFHVURJKSA-N 1 0 390.487 3.775 20 30 GHEDRO COc1cc(C#N)ccc1C[NH2+]C(C)(C)COc1ncccc1Br ZINC000181517402 845044280 /nfs/dbraw/zinc/04/42/80/845044280.db2.gz QSTMBNKXHPOTPG-UHFFFAOYSA-N 1 0 390.281 3.672 20 30 GHEDRO CC[NH+]=C(NCc1nccn1C(F)F)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261982625 845196305 /nfs/dbraw/zinc/19/63/05/845196305.db2.gz PGGYQMNOWRIYIK-AWEZNQCLSA-N 1 0 377.439 3.636 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C12CCC2 ZINC000478022480 845222328 /nfs/dbraw/zinc/22/23/28/845222328.db2.gz AJDXSINTRASSQS-QZTJIDSGSA-N 1 0 387.549 3.717 20 30 GHEDRO O=C(C[NH2+][C@@H]1c2ccccc2CC12CCOCC2)Nc1ccc2c(c1)OCO2 ZINC000329500890 861553125 /nfs/dbraw/zinc/55/31/25/861553125.db2.gz HMIACIJNGDSYKY-OAQYLSRUSA-N 1 0 380.444 3.687 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](Cn4cnc5ccccc54)C3)o2)cc1 ZINC000614235868 845372638 /nfs/dbraw/zinc/37/26/38/845372638.db2.gz LOVDGJVMHAHLOJ-SFHVURJKSA-N 1 0 398.470 3.870 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000513448310 845470796 /nfs/dbraw/zinc/47/07/96/845470796.db2.gz RDXOLMAQIAZUGV-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000119517261 845483615 /nfs/dbraw/zinc/48/36/15/845483615.db2.gz RORIPBVAFSSXEC-IBGZPJMESA-N 1 0 391.515 3.845 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCCC[C@H]3O)sc2C1 ZINC000481514632 861580916 /nfs/dbraw/zinc/58/09/16/861580916.db2.gz JDATVXLMNGFMGW-RVKKMQEKSA-N 1 0 389.565 3.556 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000513520959 845572773 /nfs/dbraw/zinc/57/27/73/845572773.db2.gz MBNKVSHYCYGSOG-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000599739238 861581863 /nfs/dbraw/zinc/58/18/63/861581863.db2.gz LFGVOYXWEMNELD-QGZVFWFLSA-N 1 0 380.448 3.575 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)cc2C)CC1 ZINC000433904993 845586781 /nfs/dbraw/zinc/58/67/81/845586781.db2.gz VNEPYIOOQQEGEV-UHFFFAOYSA-N 1 0 380.330 3.549 20 30 GHEDRO Cc1ccc(NC(=O)c2cccc(C#N)c2C)cc1NC(=O)CN1CCCCC1 ZINC000509935000 845604270 /nfs/dbraw/zinc/60/42/70/845604270.db2.gz PQGZKRLBLVZXBP-UHFFFAOYSA-N 1 0 390.487 3.852 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(CC)c2)ccc1OC ZINC000433946455 845645322 /nfs/dbraw/zinc/64/53/22/845645322.db2.gz SHUIQDGNXFJDNK-SIKLNZKXSA-N 1 0 385.508 3.876 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000555697780 861603744 /nfs/dbraw/zinc/60/37/44/861603744.db2.gz XOOMNVAKZMJGQE-INIZCTEOSA-N 1 0 394.918 3.750 20 30 GHEDRO CNC(=O)CC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329532561 861605529 /nfs/dbraw/zinc/60/55/29/861605529.db2.gz JZQNWFVKYAOPKX-IBGZPJMESA-N 1 0 378.561 3.919 20 30 GHEDRO CC(C)OC(=O)Cc1nc(CN2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000502545899 846184252 /nfs/dbraw/zinc/18/42/52/846184252.db2.gz YCDOPCBQZYIPAP-UHFFFAOYSA-N 1 0 381.501 3.798 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cnc(F)c(Cl)c3)CC2)c1 ZINC000934282178 846313232 /nfs/dbraw/zinc/31/32/32/846313232.db2.gz LSJMPJNBFFXVDK-UHFFFAOYSA-N 1 0 387.846 3.532 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551456898 846374740 /nfs/dbraw/zinc/37/47/40/846374740.db2.gz QRBDXZZPOWEDCD-UHFFFAOYSA-N 1 0 379.439 3.641 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc(OC)c1O ZINC000414539993 846431392 /nfs/dbraw/zinc/43/13/92/846431392.db2.gz OGDKYDQUFALMDR-HSZRJFAPSA-N 1 0 397.515 3.749 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000226450774 861678354 /nfs/dbraw/zinc/67/83/54/861678354.db2.gz FWLOLBFKHMKHBF-MOPGFXCFSA-N 1 0 391.515 3.874 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000421686121 846465836 /nfs/dbraw/zinc/46/58/36/846465836.db2.gz ZADZZNFWZBYRRU-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](OC(F)F)C3)sc2C1 ZINC000611580673 846610486 /nfs/dbraw/zinc/61/04/86/846610486.db2.gz ZOWZEZNQCURWOS-CHWSQXEVSA-N 1 0 397.491 3.777 20 30 GHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000419638949 846708504 /nfs/dbraw/zinc/70/85/04/846708504.db2.gz LEIPPLBGBZZTAJ-OAQYLSRUSA-N 1 0 380.492 3.611 20 30 GHEDRO COc1cc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)c(F)cc1C#N ZINC000599817290 861718816 /nfs/dbraw/zinc/71/88/16/861718816.db2.gz TUCIKGUTCUXAOH-UHFFFAOYSA-N 1 0 376.476 3.586 20 30 GHEDRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000329590438 861722715 /nfs/dbraw/zinc/72/27/15/861722715.db2.gz ZQEWLICYJMZUEZ-UHFFFAOYSA-N 1 0 385.556 3.610 20 30 GHEDRO COc1cc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599819757 861728055 /nfs/dbraw/zinc/72/80/55/861728055.db2.gz PTAMOVNFHHDGPO-GOSISDBHSA-N 1 0 396.466 3.834 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2OC)cc1OC ZINC000158170837 847055429 /nfs/dbraw/zinc/05/54/29/847055429.db2.gz GBLSZKQERAMMJG-GOSISDBHSA-N 1 0 382.460 3.800 20 30 GHEDRO Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc(C)c1C#N ZINC001268966846 847096827 /nfs/dbraw/zinc/09/68/27/847096827.db2.gz DMUDCRNUSILUME-DHIUTWEWSA-N 1 0 396.579 3.584 20 30 GHEDRO Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc(C)c1C#N ZINC001268966847 847097007 /nfs/dbraw/zinc/09/70/07/847097007.db2.gz DMUDCRNUSILUME-GOTSBHOMSA-N 1 0 396.579 3.584 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000272616527 847126256 /nfs/dbraw/zinc/12/62/56/847126256.db2.gz WICQHKSGQNKDED-YJBOKZPZSA-N 1 0 392.906 3.807 20 30 GHEDRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=[NH2+])Nc1cc(F)ccc1F)O[C@@H](C)C2 ZINC000262300829 861763339 /nfs/dbraw/zinc/76/33/39/861763339.db2.gz QAZHPSCDDAOLQS-YLVFBTJISA-N 1 0 387.430 3.970 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000272933624 847210887 /nfs/dbraw/zinc/21/08/87/847210887.db2.gz KHUXNGYFRRLQDF-YAHRNXAISA-N 1 0 397.544 3.718 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091247539 847247850 /nfs/dbraw/zinc/24/78/50/847247850.db2.gz REVHFTIDQWKMBE-UHFFFAOYSA-N 1 0 376.504 3.851 20 30 GHEDRO CCSc1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000501851162 847255780 /nfs/dbraw/zinc/25/57/80/847255780.db2.gz VDKJOTMBOMSIGD-UHFFFAOYSA-N 1 0 381.545 3.803 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)/C=C\c2cc3ccccc3nc2OCCC)CC1 ZINC000731636787 861784049 /nfs/dbraw/zinc/78/40/49/861784049.db2.gz QBIPNOVMNHGMSX-KTKRTIGZSA-N 1 0 379.504 3.803 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)cc(OC)c1O ZINC000277656221 847434896 /nfs/dbraw/zinc/43/48/96/847434896.db2.gz NMNUEPWSBAVDHM-IBGZPJMESA-N 1 0 379.460 3.894 20 30 GHEDRO Cc1ccc2ncc(C#N)c(N3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c2c1 ZINC000582522426 847471935 /nfs/dbraw/zinc/47/19/35/847471935.db2.gz OWUZATSDQFBLMY-QZTJIDSGSA-N 1 0 378.520 3.741 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccc(C#N)s1 ZINC000422214072 847473001 /nfs/dbraw/zinc/47/30/01/847473001.db2.gz GRFWFZGQQSHJPR-UHFFFAOYSA-N 1 0 376.551 3.735 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1OC ZINC000503291804 847566614 /nfs/dbraw/zinc/56/66/14/847566614.db2.gz QGGDNYZZGWWNIB-QGZVFWFLSA-N 1 0 392.293 3.846 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)ccc1Cl ZINC000503407384 847669569 /nfs/dbraw/zinc/66/95/69/847669569.db2.gz RLMAHKBYTUIFMH-HZPDHXFCSA-N 1 0 385.842 3.645 20 30 GHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108304838 847689877 /nfs/dbraw/zinc/68/98/77/847689877.db2.gz UHHQJMZDJFUYLI-GOSISDBHSA-N 1 0 377.513 3.924 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3coc4cc(F)ccc34)CC2)cc1 ZINC000479536425 847712306 /nfs/dbraw/zinc/71/23/06/847712306.db2.gz DUPYVPQYNFRRRL-UHFFFAOYSA-N 1 0 391.446 3.721 20 30 GHEDRO Cc1ccc(C[C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000127945729 847722443 /nfs/dbraw/zinc/72/24/43/847722443.db2.gz ABROLKQDPNVTCD-QGZVFWFLSA-N 1 0 396.560 3.777 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1csc(-c2ccccc2F)n1 ZINC000329084093 847728033 /nfs/dbraw/zinc/72/80/33/847728033.db2.gz FMOXKGFANANPJV-UHFFFAOYSA-N 1 0 389.496 3.899 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000131931551 861829200 /nfs/dbraw/zinc/82/92/00/861829200.db2.gz OCQCPTZOFQTNME-NQIIRXRSSA-N 1 0 391.515 3.885 20 30 GHEDRO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000513746432 847911305 /nfs/dbraw/zinc/91/13/05/847911305.db2.gz WPRQTFMHBVARPP-KRWDZBQOSA-N 1 0 394.471 3.542 20 30 GHEDRO COc1ccc([C@H](NCCSCc2ccccc2C#N)[C@H]2CCC[NH2+]2)cc1 ZINC000422998960 847931790 /nfs/dbraw/zinc/93/17/90/847931790.db2.gz XDLPMHZELURDTP-YADHBBJMSA-N 1 0 381.545 3.883 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000158697497 847936205 /nfs/dbraw/zinc/93/62/05/847936205.db2.gz ZNODUUGPXLVDEJ-NRFANRHFSA-N 1 0 392.503 3.545 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001167594727 847944315 /nfs/dbraw/zinc/94/43/15/847944315.db2.gz QPBFNMWENDUWQK-UZLBHIALSA-N 1 0 396.922 3.745 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421323450 847945292 /nfs/dbraw/zinc/94/52/92/847945292.db2.gz AOTRZRVXWPKDRF-MRXNPFEDSA-N 1 0 383.467 3.843 20 30 GHEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]2C ZINC000611688304 847962170 /nfs/dbraw/zinc/96/21/70/847962170.db2.gz QAMDBSRDTAGZPS-ABSDTBQOSA-N 1 0 380.488 3.509 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000421349786 847968796 /nfs/dbraw/zinc/96/87/96/847968796.db2.gz JIKKTGYFTIEDMD-LLVKDONJSA-N 1 0 378.295 3.889 20 30 GHEDRO C=C(C)[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481603495 861850488 /nfs/dbraw/zinc/85/04/88/861850488.db2.gz YWSCYJCLODDDDY-IRLDBZIGSA-N 1 0 387.474 3.591 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Br)cc1 ZINC000604125242 861855409 /nfs/dbraw/zinc/85/54/09/861855409.db2.gz ZYHSRFXYTOWQAL-UHFFFAOYSA-N 1 0 378.295 3.846 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000375727739 847980818 /nfs/dbraw/zinc/98/08/18/847980818.db2.gz UAPLQTPUDKURFE-OAQYLSRUSA-N 1 0 377.529 3.562 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000329634410 861853096 /nfs/dbraw/zinc/85/30/96/861853096.db2.gz XEDCFIAJVCZLQM-QZTJIDSGSA-N 1 0 386.471 3.687 20 30 GHEDRO CC[C@H]1C[C@@H](C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC(=O)N1 ZINC000329636866 861857688 /nfs/dbraw/zinc/85/76/88/861857688.db2.gz YHOSYLDLFQVKOU-MSOLQXFVSA-N 1 0 384.524 3.952 20 30 GHEDRO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000511193450 848258928 /nfs/dbraw/zinc/25/89/28/848258928.db2.gz NNFNIGTZUIVJLS-LJQANCHMSA-N 1 0 393.506 3.656 20 30 GHEDRO COc1cc2cccnc2c(N(c2ccc(CC#N)cn2)[C@H](C)CCC[NH3+])c1 ZINC001167611075 848294828 /nfs/dbraw/zinc/29/48/28/848294828.db2.gz HINVYLODQMAJAF-MRXNPFEDSA-N 1 0 375.476 3.970 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000604145154 861889048 /nfs/dbraw/zinc/88/90/48/861889048.db2.gz BYIAWAFGBRVRKV-TZIWHRDSSA-N 1 0 383.467 3.520 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000180034776 861916490 /nfs/dbraw/zinc/91/64/90/861916490.db2.gz WTPMJKOLYYCKBT-OAQYLSRUSA-N 1 0 394.515 3.886 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(Cc1ccc(C)o1)C1CC1 ZINC000051967202 848620924 /nfs/dbraw/zinc/62/09/24/848620924.db2.gz VQSZHFPXHYFAGU-UHFFFAOYSA-N 1 0 398.507 3.518 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000161772614 848707777 /nfs/dbraw/zinc/70/77/77/848707777.db2.gz VPXKQAVHWBACSM-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000582936648 848718452 /nfs/dbraw/zinc/71/84/52/848718452.db2.gz QPSRDXCQIHNXCK-UHFFFAOYSA-N 1 0 387.203 3.668 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000582993094 848839386 /nfs/dbraw/zinc/83/93/86/848839386.db2.gz PSLHHIVDTBWZJD-IBGZPJMESA-N 1 0 388.519 3.627 20 30 GHEDRO CSCC[C@@](C)(C#N)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000583049598 848950482 /nfs/dbraw/zinc/95/04/82/848950482.db2.gz YTFIFICWAUQBEK-QFIPXVFZSA-N 1 0 398.576 3.559 20 30 GHEDRO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc(OC)c1 ZINC000481661372 861985397 /nfs/dbraw/zinc/98/53/97/861985397.db2.gz BSGZMQZUOUPFFR-YADARESESA-N 1 0 394.515 3.784 20 30 GHEDRO Cc1nccn1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000052255776 849605437 /nfs/dbraw/zinc/60/54/37/849605437.db2.gz NRWBJTGUGRDWRM-UHFFFAOYSA-N 1 0 375.432 3.986 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(=O)OC)cc1)C(=S)N[C@@H](C)CC ZINC000278199444 849616686 /nfs/dbraw/zinc/61/66/86/849616686.db2.gz HDFKQQGHOHABLR-HNNXBMFYSA-O 1 0 399.536 3.650 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000155810759 849646727 /nfs/dbraw/zinc/64/67/27/849646727.db2.gz RTTFGFAIUIOZBR-LJQANCHMSA-N 1 0 393.453 3.717 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000583356820 849698532 /nfs/dbraw/zinc/69/85/32/849698532.db2.gz WRPHGHZEAUYHHX-VXKWHMMOSA-N 1 0 377.463 3.856 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000583362064 849711246 /nfs/dbraw/zinc/71/12/46/849711246.db2.gz QSVXFQTVJKCAAP-BDTNDASRSA-N 1 0 393.918 3.974 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000583362065 849711415 /nfs/dbraw/zinc/71/14/15/849711415.db2.gz QSVXFQTVJKCAAP-BHDDXSALSA-N 1 0 393.918 3.974 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(OCC#N)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732058383 862048139 /nfs/dbraw/zinc/04/81/39/862048139.db2.gz TWEIWVCHZIZCCF-GOSISDBHSA-N 1 0 377.488 3.871 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000434878811 849865858 /nfs/dbraw/zinc/86/58/58/849865858.db2.gz GHRIRXRWCOEZPO-QFIPXVFZSA-N 1 0 377.488 3.548 20 30 GHEDRO C=CC[N@@H+](CCCc1ccccc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000505573834 849922978 /nfs/dbraw/zinc/92/29/78/849922978.db2.gz FGROCIMSZKQQIQ-SFHVURJKSA-N 1 0 377.492 3.853 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)cc1OCCCC#N ZINC000504129822 849926175 /nfs/dbraw/zinc/92/61/75/849926175.db2.gz BNVATMUQVOQTQQ-HNNXBMFYSA-N 1 0 395.459 3.559 20 30 GHEDRO CC(C)[NH+](CCN(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(C)C ZINC000504190167 849961261 /nfs/dbraw/zinc/96/12/61/849961261.db2.gz ZGTGQCBEMQTIDN-UHFFFAOYSA-N 1 0 380.492 3.936 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)C(C)C ZINC000514547584 849990361 /nfs/dbraw/zinc/99/03/61/849990361.db2.gz WITLMJBNKZVOMT-INIZCTEOSA-N 1 0 398.334 3.747 20 30 GHEDRO N#Cc1cccc(C2(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)CC2)c1 ZINC000435072993 850049600 /nfs/dbraw/zinc/04/96/00/850049600.db2.gz IEZNDTYZWHPOPY-UHFFFAOYSA-N 1 0 377.513 3.777 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000600472690 862087891 /nfs/dbraw/zinc/08/78/91/862087891.db2.gz OIHDUADRGOLQKI-GOSISDBHSA-N 1 0 394.277 3.966 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000435151028 850127859 /nfs/dbraw/zinc/12/78/59/850127859.db2.gz VOPCEABSHHOVIS-FQEVSTJZSA-N 1 0 384.455 3.528 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000604362147 862094586 /nfs/dbraw/zinc/09/45/86/862094586.db2.gz NBEUDGKCLBEJPA-DLBZAZTESA-N 1 0 393.491 3.987 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426435814 850147494 /nfs/dbraw/zinc/14/74/94/850147494.db2.gz NCSJFTYQOBAEJP-INIZCTEOSA-N 1 0 386.845 3.814 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000424115468 850228028 /nfs/dbraw/zinc/22/80/28/850228028.db2.gz VGQCLNVZNHORSZ-KRWDZBQOSA-N 1 0 392.341 3.832 20 30 GHEDRO CSc1cccc([C@H](NC(=O)[C@H]([NH3+])CCCC#N)c2cc(F)ccc2F)c1 ZINC000424121881 850235316 /nfs/dbraw/zinc/23/53/16/850235316.db2.gz IEGHNZDBQHRPBF-MOPGFXCFSA-N 1 0 389.471 3.913 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000424130221 850255572 /nfs/dbraw/zinc/25/55/72/850255572.db2.gz UPJVBQNVOFFGIG-SFHVURJKSA-N 1 0 375.586 3.735 20 30 GHEDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000435245915 850264856 /nfs/dbraw/zinc/26/48/56/850264856.db2.gz DTYKZLXTXPSBPZ-NRFANRHFSA-N 1 0 378.472 3.912 20 30 GHEDRO C[C@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518919307 850353032 /nfs/dbraw/zinc/35/30/32/850353032.db2.gz QBOSUBNXSZGYGX-VGSWGCGISA-N 1 0 379.479 3.850 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000129225327 850377974 /nfs/dbraw/zinc/37/79/74/850377974.db2.gz YHBRCEQUOIEUJJ-UHFFFAOYSA-N 1 0 378.520 3.523 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487064776 850401256 /nfs/dbraw/zinc/40/12/56/850401256.db2.gz JPWNKTNXAJVAKR-KNQAVFIVSA-N 1 0 393.531 3.961 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000246309054 850446689 /nfs/dbraw/zinc/44/66/89/850446689.db2.gz GAQJWGNYVRJTCS-UNMCSNQZSA-N 1 0 389.547 3.548 20 30 GHEDRO CC(C)C[C@H](CNC(=O)COc1ccccc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000518984458 850453586 /nfs/dbraw/zinc/45/35/86/850453586.db2.gz WTEGXQXIVGCBGG-WIYYLYMNSA-N 1 0 379.504 3.819 20 30 GHEDRO C=C(C)CS(=O)(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000435425962 850507410 /nfs/dbraw/zinc/50/74/10/850507410.db2.gz FVOSWCFTUWJQFU-UHFFFAOYSA-N 1 0 384.545 3.945 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CCOCC1 ZINC000424607171 850564413 /nfs/dbraw/zinc/56/44/13/850564413.db2.gz QUYWPFXZDMJYQS-UHFFFAOYSA-N 1 0 399.535 3.813 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000151244308 850622436 /nfs/dbraw/zinc/62/24/36/850622436.db2.gz ZYMYQQVFVMUONT-QZTJIDSGSA-N 1 0 398.551 3.540 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[NH+](C)C)c1 ZINC000435566755 850651076 /nfs/dbraw/zinc/65/10/76/850651076.db2.gz OUIDYPBDMYNFIW-FQEVSTJZSA-N 1 0 396.491 3.778 20 30 GHEDRO COC(=O)[C@@H](CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000425394624 850660203 /nfs/dbraw/zinc/66/02/03/850660203.db2.gz LOZNTCYJTWBSSC-QFIPXVFZSA-N 1 0 378.472 3.748 20 30 GHEDRO C=C(C)Cn1c(-c2ncccn2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000909289397 850674249 /nfs/dbraw/zinc/67/42/49/850674249.db2.gz OPOJRNLZOCUEFC-UHFFFAOYSA-N 1 0 395.555 3.546 20 30 GHEDRO CC(C)[C@@H](CNc1c(C#N)cnc2c(F)ccc(Cl)c21)[NH+]1CCN(C)CC1 ZINC000174676627 850680708 /nfs/dbraw/zinc/68/07/08/850680708.db2.gz GZGFPISUYOSMKT-QGZVFWFLSA-N 1 0 389.906 3.583 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)Cc2c(F)cccc2C#N)c2cccs2)CC1 ZINC000505175389 850687293 /nfs/dbraw/zinc/68/72/93/850687293.db2.gz WZRCHSQJJMLVDL-LJQANCHMSA-N 1 0 385.508 3.891 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000515139395 850711545 /nfs/dbraw/zinc/71/15/45/850711545.db2.gz AITKVVIZRXAFSB-VDZJLULYSA-N 1 0 380.517 3.815 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000435671877 850759664 /nfs/dbraw/zinc/75/96/64/850759664.db2.gz GGMHJWRMTZFXFH-QIJUGHKUSA-N 1 0 380.488 3.946 20 30 GHEDRO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054643324 850801992 /nfs/dbraw/zinc/80/19/92/850801992.db2.gz XKEAKRNHQWARLI-FQEVSTJZSA-N 1 0 390.531 3.710 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OCCOCC ZINC000435732315 850819545 /nfs/dbraw/zinc/81/95/45/850819545.db2.gz OLYFCZSDWGYDQY-DNVCBOLYSA-N 1 0 398.341 3.935 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487936106 851005555 /nfs/dbraw/zinc/00/55/55/851005555.db2.gz PRAWZIVMCWDIHG-QWHCGFSZSA-N 1 0 379.302 3.563 20 30 GHEDRO CCC(CC)(CNC(=O)COc1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000732293189 862195671 /nfs/dbraw/zinc/19/56/71/862195671.db2.gz DOTDDTVBXMJICT-GOSISDBHSA-N 1 0 379.504 3.963 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)CC1 ZINC000440320200 851060547 /nfs/dbraw/zinc/06/05/47/851060547.db2.gz XJZCQWLYUGTSEO-UHFFFAOYSA-N 1 0 388.600 3.504 20 30 GHEDRO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000522634726 862207371 /nfs/dbraw/zinc/20/73/71/862207371.db2.gz JDABORBRHMRILN-QGZVFWFLSA-N 1 0 381.863 3.970 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)C2CCCCC2)C1 ZINC000436037335 851132022 /nfs/dbraw/zinc/13/20/22/851132022.db2.gz ZLBOTLTXTVCIIJ-OAQYLSRUSA-N 1 0 392.547 3.996 20 30 GHEDRO Cc1ccc2ncc(C#N)c(N3CCC(CCC[NH+]4CCOCC4)CC3)c2c1 ZINC000488118856 851184604 /nfs/dbraw/zinc/18/46/04/851184604.db2.gz RTCQUZCWFVIIKT-UHFFFAOYSA-N 1 0 378.520 3.744 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000514087207 851226340 /nfs/dbraw/zinc/22/63/40/851226340.db2.gz AUCYSFSZUSYWJY-AWEZNQCLSA-N 1 0 376.407 3.754 20 30 GHEDRO C[NH+]=C(NCc1ccc(Br)s1)NCc1nc(C(C)C)cs1 ZINC000262021305 851240698 /nfs/dbraw/zinc/24/06/98/851240698.db2.gz YVHZUGRRLVMFSA-UHFFFAOYSA-N 1 0 387.372 3.956 20 30 GHEDRO N#CCCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000443930101 862221578 /nfs/dbraw/zinc/22/15/78/862221578.db2.gz RKQLCMLNERCPNC-FQEVSTJZSA-N 1 0 386.499 3.949 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 ZINC000514123215 851263262 /nfs/dbraw/zinc/26/32/62/851263262.db2.gz ACEXVTQWKCXCTL-UHFFFAOYSA-N 1 0 389.546 3.647 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)[C@]3(C#N)CC34CCCC4)CC[N@@H+]2C2CC2)c1 ZINC000515772023 851454733 /nfs/dbraw/zinc/45/47/33/851454733.db2.gz DYMXPFGGXXOVIV-TXTKFYIRSA-N 1 0 379.504 3.563 20 30 GHEDRO CCOc1ccc([C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)C(C)C)cc1OCC ZINC000550153414 851751710 /nfs/dbraw/zinc/75/17/10/851751710.db2.gz HYVVGESVPXLEAL-OAQYLSRUSA-N 1 0 393.491 3.885 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)CC1CCCC1 ZINC000473736934 851794187 /nfs/dbraw/zinc/79/41/87/851794187.db2.gz QWZKFOHCJATSRW-GOSISDBHSA-N 1 0 378.586 3.526 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2)cc1 ZINC000108509843 851799183 /nfs/dbraw/zinc/79/91/83/851799183.db2.gz UDVQNBCPZKHADE-IBGZPJMESA-N 1 0 376.460 3.956 20 30 GHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000732466849 862304852 /nfs/dbraw/zinc/30/48/52/862304852.db2.gz QIHRNFAUQADAAT-FCHUYYIVSA-N 1 0 392.503 3.574 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000329778515 862317152 /nfs/dbraw/zinc/31/71/52/862317152.db2.gz QDWBMPKWUNJCOB-UHFFFAOYSA-N 1 0 395.931 3.627 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000438180222 852096156 /nfs/dbraw/zinc/09/61/56/852096156.db2.gz BKSYWSKYLNHUBO-HNNXBMFYSA-N 1 0 382.464 3.821 20 30 GHEDRO CCN(c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1)C(C)C ZINC000517564380 852118037 /nfs/dbraw/zinc/11/80/37/852118037.db2.gz OCCYTVVJZFXGQB-UHFFFAOYSA-N 1 0 392.547 3.997 20 30 GHEDRO CCCCCCCC[C@H]([NH3+])C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000912186259 852126647 /nfs/dbraw/zinc/12/66/47/852126647.db2.gz OUDZJMMTZIPUNT-FQEVSTJZSA-N 1 0 388.556 3.877 20 30 GHEDRO COc1cccc(OC)c1OCCCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000516111936 852179836 /nfs/dbraw/zinc/17/98/36/852179836.db2.gz LUFJSHMRSSKADD-UHFFFAOYSA-N 1 0 395.503 3.557 20 30 GHEDRO N#CCCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000112287341 852222920 /nfs/dbraw/zinc/22/29/20/852222920.db2.gz LPHQEYYCWLPQDR-UHFFFAOYSA-N 1 0 391.471 3.614 20 30 GHEDRO C[N@H+](CCOc1ccc(F)cc1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028901291 852226260 /nfs/dbraw/zinc/22/62/60/852226260.db2.gz OXRWRKMNSLPCAL-UHFFFAOYSA-N 1 0 375.831 3.690 20 30 GHEDRO CCOc1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ncccc12 ZINC000329818858 862341946 /nfs/dbraw/zinc/34/19/46/862341946.db2.gz FVPIFYSBIQGPLZ-QGZVFWFLSA-N 1 0 382.508 3.843 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961514 852329431 /nfs/dbraw/zinc/32/94/31/852329431.db2.gz FQKQXIQNBZXIRS-KRWDZBQOSA-N 1 0 396.922 3.747 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000438421752 852376774 /nfs/dbraw/zinc/37/67/74/852376774.db2.gz OOLKXJAGWSHOEC-HZCBDIJESA-N 1 0 376.504 3.578 20 30 GHEDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438472746 852432079 /nfs/dbraw/zinc/43/20/79/852432079.db2.gz ZXARSAFOWSVYPW-UHFFFAOYSA-N 1 0 396.447 3.740 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cc1C#N ZINC000383075487 852500573 /nfs/dbraw/zinc/50/05/73/852500573.db2.gz VLINESCXWXPPGN-INIZCTEOSA-N 1 0 385.309 3.674 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cnc4ccc(Cl)cn34)CC2)cc1 ZINC000506262793 852509005 /nfs/dbraw/zinc/50/90/05/852509005.db2.gz RNLQLCVCXRDEHU-UHFFFAOYSA-N 1 0 379.895 3.567 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)CC2)CC1 ZINC000329842730 862366328 /nfs/dbraw/zinc/36/63/28/862366328.db2.gz KNNLXEPGFARMBJ-GUMHCPJTSA-N 1 0 379.589 3.672 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1OC ZINC000029179364 852584921 /nfs/dbraw/zinc/58/49/21/852584921.db2.gz NXXGGZWPSVOVCL-HXUWFJFHSA-N 1 0 380.488 3.827 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1OCCc2ccccc21 ZINC000507235446 852695443 /nfs/dbraw/zinc/69/54/43/852695443.db2.gz RVHUGKWPPWHTEF-LDCXFNBKSA-N 1 0 383.536 3.552 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490031854 852716063 /nfs/dbraw/zinc/71/60/63/852716063.db2.gz LXYIDAJJHKXQEC-INIZCTEOSA-N 1 0 398.532 3.996 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](C2CCCCC2)C1 ZINC000669030506 852754895 /nfs/dbraw/zinc/75/48/95/852754895.db2.gz LWTUGGSDSIJSJZ-HBMCJLEFSA-N 1 0 399.583 3.797 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)on2)c1 ZINC000437842076 852757351 /nfs/dbraw/zinc/75/73/51/852757351.db2.gz OSCRICGHOOSVIP-LJQANCHMSA-N 1 0 378.476 3.740 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)C1 ZINC000329877939 862390885 /nfs/dbraw/zinc/39/08/85/862390885.db2.gz JYXABQFBOYAXKQ-LNLFQRSKSA-N 1 0 376.545 3.663 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC2(CCCCC2)C1 ZINC000669034004 852769675 /nfs/dbraw/zinc/76/96/75/852769675.db2.gz FXHMPXWQPYRMRS-MOPGFXCFSA-N 1 0 385.556 3.551 20 30 GHEDRO O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000329885879 862397261 /nfs/dbraw/zinc/39/72/61/862397261.db2.gz VHANLWPPQQKNNN-VQIMIIECSA-N 1 0 392.425 3.678 20 30 GHEDRO C[NH+]=C(NCc1cc(F)ccc1Br)N1CCC(OCC2CC2)CC1 ZINC000261940654 852854990 /nfs/dbraw/zinc/85/49/90/852854990.db2.gz MPEAHDGGYWBTIA-UHFFFAOYSA-N 1 0 398.320 3.555 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1Cl ZINC000516707777 852912223 /nfs/dbraw/zinc/91/22/23/852912223.db2.gz SSSXBKWUZSZOHA-HNNXBMFYSA-N 1 0 376.888 3.733 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCc3ccc(C[NH+](C)C)c(F)c3)c2c1 ZINC000518148773 852930749 /nfs/dbraw/zinc/93/07/49/852930749.db2.gz MDMCVDULGLWGOJ-UHFFFAOYSA-N 1 0 394.450 3.936 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[NH+](C3CC3)CC2)cc1OCC ZINC000506401845 852993471 /nfs/dbraw/zinc/99/34/71/852993471.db2.gz GOFDWKHDMZFIGA-UHFFFAOYSA-N 1 0 395.341 3.693 20 30 GHEDRO Cc1cc(C#N)nc(N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000516848255 853082870 /nfs/dbraw/zinc/08/28/70/853082870.db2.gz LNOPXQOMTXSPPK-OAQYLSRUSA-N 1 0 375.520 3.784 20 30 GHEDRO Cc1nnc(CNC(N[C@H](C)c2ccccc2)=[NH+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1C ZINC000261959955 853087132 /nfs/dbraw/zinc/08/71/32/853087132.db2.gz JYUXJAGJNFRYLO-UMSONDCASA-N 1 0 394.567 3.889 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000437541797 853260443 /nfs/dbraw/zinc/26/04/43/853260443.db2.gz SUPVVIMPXKIBAH-FCHUYYIVSA-N 1 0 399.579 3.959 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCC2(CCOCC2)CC1)C(C)C ZINC000439177331 853373930 /nfs/dbraw/zinc/37/39/30/853373930.db2.gz LCTMIKLQSQXITQ-HXUWFJFHSA-N 1 0 377.573 3.724 20 30 GHEDRO C[N@H+](CCOc1cccc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518473953 853390648 /nfs/dbraw/zinc/39/06/48/853390648.db2.gz AZMLQWDUTNJULM-OALUTQOASA-N 1 0 377.271 3.834 20 30 GHEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)C1 ZINC000329960835 862460780 /nfs/dbraw/zinc/46/07/80/862460780.db2.gz RUOSSFPQWPSBQL-QGZVFWFLSA-N 1 0 381.524 3.654 20 30 GHEDRO N#CCCN(C(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000491059905 853432604 /nfs/dbraw/zinc/43/26/04/853432604.db2.gz JVNLSODGLOURAN-NRFANRHFSA-N 1 0 382.552 3.521 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151445289 853437307 /nfs/dbraw/zinc/43/73/07/853437307.db2.gz LTLBCFQJJKVYCU-AEFFLSMTSA-N 1 0 396.350 3.605 20 30 GHEDRO Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@H](c3ccccc3C)C2)n1C ZINC000261948037 853500804 /nfs/dbraw/zinc/50/08/04/853500804.db2.gz GLFRGAVIMHUXKO-IBGZPJMESA-N 1 0 394.567 3.700 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000570906755 853502830 /nfs/dbraw/zinc/50/28/30/853502830.db2.gz PDROGSWHXMNJCH-JRGCBEDISA-N 1 0 379.529 3.752 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000519847736 853541537 /nfs/dbraw/zinc/54/15/37/853541537.db2.gz DZKGCRYCYBXVBH-HSZRJFAPSA-N 1 0 375.516 3.640 20 30 GHEDRO C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc(C#N)c1 ZINC000586790999 853550087 /nfs/dbraw/zinc/55/00/87/853550087.db2.gz PASFRCSYRMWBNK-OXQOHEQNSA-N 1 0 383.442 3.893 20 30 GHEDRO CC(C)(C)NC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(CO)c1 ZINC000055014324 853630536 /nfs/dbraw/zinc/63/05/36/853630536.db2.gz QTZWECHSJZVTTA-UHFFFAOYSA-O 1 0 383.493 3.540 20 30 GHEDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1(C)C ZINC000439516796 853721015 /nfs/dbraw/zinc/72/10/15/853721015.db2.gz QRTNUTLZAZSYFV-AFAVFJNCSA-N 1 0 375.538 3.619 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000623889133 862503434 /nfs/dbraw/zinc/50/34/34/862503434.db2.gz DQGUMXKDPDNDJI-GOSISDBHSA-N 1 0 399.560 3.788 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)Oc3ccccc3)CC2)c(O)c(OC)c1 ZINC000164278381 853806758 /nfs/dbraw/zinc/80/67/58/853806758.db2.gz DWIMEYPAXUXKSE-UHFFFAOYSA-N 1 0 396.487 3.882 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)NCC2CCC(C#N)CC2)cc1 ZINC000441003692 853820794 /nfs/dbraw/zinc/82/07/94/853820794.db2.gz YQKGBZRFBYCVCX-UHFFFAOYSA-N 1 0 386.540 3.536 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000129453037 853887381 /nfs/dbraw/zinc/88/73/81/853887381.db2.gz NDEIVAOHOIVHOO-KRWDZBQOSA-N 1 0 375.394 3.756 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccc(F)cc1F)[n+]1ccccc1 ZINC000186954248 862511214 /nfs/dbraw/zinc/51/12/14/862511214.db2.gz HCZYQALCUQRFCF-UHFFFAOYSA-O 1 0 388.419 3.908 20 30 GHEDRO O=C(NCc1cccc(-n2ccnc2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330026885 862516280 /nfs/dbraw/zinc/51/62/80/862516280.db2.gz MDXMKOAASFWGDD-UHFFFAOYSA-N 1 0 381.524 3.673 20 30 GHEDRO Cc1nc(CC2CC2)oc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000330025213 862516312 /nfs/dbraw/zinc/51/63/12/862516312.db2.gz KGVKGTHFJWQNSP-UHFFFAOYSA-N 1 0 388.899 3.977 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000055553055 854010428 /nfs/dbraw/zinc/01/04/28/854010428.db2.gz JQHBLMMOYRLNNQ-KRWDZBQOSA-N 1 0 381.476 3.685 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CC2(CCC2)c2ccccc21 ZINC000330047667 862531205 /nfs/dbraw/zinc/53/12/05/862531205.db2.gz JOLAIAJYNNKPMV-NHCUHLMSSA-N 1 0 383.536 3.610 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)cc2)nc1 ZINC000520395110 854143695 /nfs/dbraw/zinc/14/36/95/854143695.db2.gz AHAKHLFBESHYEB-HXUWFJFHSA-N 1 0 390.487 3.836 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)C1 ZINC000473898478 854160467 /nfs/dbraw/zinc/16/04/67/854160467.db2.gz WGENFLWMWMCZKP-GOSISDBHSA-N 1 0 389.499 3.949 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000520425689 854197602 /nfs/dbraw/zinc/19/76/02/854197602.db2.gz YHSWVPAKYKULAY-QFIPXVFZSA-N 1 0 381.516 3.946 20 30 GHEDRO C[C@H](CO)[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCCC1 ZINC000588204896 854216456 /nfs/dbraw/zinc/21/64/56/854216456.db2.gz HUQIMNBLEVWNEC-JKSUJKDBSA-N 1 0 375.538 3.502 20 30 GHEDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1CCCc2c[nH]nc21 ZINC000330081756 862560369 /nfs/dbraw/zinc/56/03/69/862560369.db2.gz PTDZJRSGSSOLKF-FQEVSTJZSA-N 1 0 381.524 3.867 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C[C@H]1C ZINC000330096930 862570767 /nfs/dbraw/zinc/57/07/67/862570767.db2.gz ADWYBRORUAJQNC-MSOLQXFVSA-N 1 0 386.540 3.581 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000609515832 854497711 /nfs/dbraw/zinc/49/77/11/854497711.db2.gz JKTRIENJNVWONM-ROUUACIJSA-N 1 0 392.503 3.843 20 30 GHEDRO CN1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328704652 854516424 /nfs/dbraw/zinc/51/64/24/854516424.db2.gz KQXMFSMWZOVBGV-YJBOKZPZSA-N 1 0 376.863 3.762 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3nccn3-c3ccccc3)C2)CC1 ZINC000328755235 854529242 /nfs/dbraw/zinc/52/92/42/854529242.db2.gz SSMHJFVWOMNQMA-IBGZPJMESA-N 1 0 381.524 3.862 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000328770053 854534681 /nfs/dbraw/zinc/53/46/81/854534681.db2.gz IWRYOIGBYFKVRY-NRFANRHFSA-N 1 0 386.565 3.894 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000328770055 854534913 /nfs/dbraw/zinc/53/49/13/854534913.db2.gz IWRYOIGBYFKVRY-OAQYLSRUSA-N 1 0 386.565 3.894 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)C[C@@H]1C ZINC000328816406 854547689 /nfs/dbraw/zinc/54/76/89/854547689.db2.gz OQJAFVOVKJZMSD-PKOBYXMFSA-N 1 0 393.535 3.952 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O2 ZINC000328841933 854571046 /nfs/dbraw/zinc/57/10/46/854571046.db2.gz PUWJWCMQMRROEB-WMZOPIPTSA-N 1 0 399.535 3.578 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2F)n1 ZINC000328872394 854591408 /nfs/dbraw/zinc/59/14/08/854591408.db2.gz QOTHHLDBYONSDQ-SFHVURJKSA-N 1 0 399.514 3.837 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC3CCC(F)(F)CC3)cc2)CC1 ZINC000328895694 854600469 /nfs/dbraw/zinc/60/04/69/854600469.db2.gz VIYUTAAKXXTJTN-UHFFFAOYSA-N 1 0 381.467 3.741 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000056308783 854612616 /nfs/dbraw/zinc/61/26/16/854612616.db2.gz CHOIUHAIUYZHJL-FQEVSTJZSA-N 1 0 386.540 3.606 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000588976288 854623297 /nfs/dbraw/zinc/62/32/97/854623297.db2.gz OARYPLVAAUJKQT-HNNXBMFYSA-N 1 0 382.460 3.975 20 30 GHEDRO C#CCNC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nc1 ZINC000732912555 862586105 /nfs/dbraw/zinc/58/61/05/862586105.db2.gz QSEFHFJHCAHZLR-OALUTQOASA-N 1 0 390.531 3.535 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cnn1-c1cccc(C)c1 ZINC000328976266 854638532 /nfs/dbraw/zinc/63/85/32/854638532.db2.gz WJPJMQBXJLUWNU-FGZHOGPDSA-N 1 0 396.535 3.562 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC[N@@H+]1C ZINC000330466768 854673314 /nfs/dbraw/zinc/67/33/14/854673314.db2.gz HUYWVMURWKDMBT-UKRRQHHQSA-N 1 0 379.932 3.790 20 30 GHEDRO CCc1ccc([C@H](C#N)NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000589079568 854676157 /nfs/dbraw/zinc/67/61/57/854676157.db2.gz JGUXTCGJGFCTDY-NRFANRHFSA-N 1 0 379.529 3.792 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCc2ccccc21 ZINC000458927964 854736949 /nfs/dbraw/zinc/73/69/49/854736949.db2.gz QUVNMYHJJNEAHV-QFIPXVFZSA-N 1 0 390.531 3.752 20 30 GHEDRO COCCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1Cl ZINC000330857170 854759929 /nfs/dbraw/zinc/75/99/29/854759929.db2.gz QGEMBCLHTRGVHR-RYUDHWBXSA-N 1 0 390.311 3.589 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000589325024 854791200 /nfs/dbraw/zinc/79/12/00/854791200.db2.gz GRPPVWGTDNTKMU-ISKFKSNPSA-N 1 0 386.499 3.720 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@]2(CCCOC2)O1 ZINC000330140279 862609165 /nfs/dbraw/zinc/60/91/65/862609165.db2.gz WVHXOAYOYNFPLB-KDOFPFPSSA-N 1 0 397.313 3.697 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C[NH+]1CCCCC1 ZINC000589363730 854829345 /nfs/dbraw/zinc/82/93/45/854829345.db2.gz GVPFDNSCIWWNIG-QGZVFWFLSA-N 1 0 393.491 3.989 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)C[C@@H]1C ZINC000330142549 862611225 /nfs/dbraw/zinc/61/12/25/862611225.db2.gz YITAXFRLMZCOKS-GBESFXJTSA-N 1 0 389.540 3.985 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnc(Sc3ccccn3)c2)CC1 ZINC000114008143 854891226 /nfs/dbraw/zinc/89/12/26/854891226.db2.gz ULYKFESXYUISKD-UHFFFAOYSA-N 1 0 383.521 3.790 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000589567759 855013541 /nfs/dbraw/zinc/01/35/41/855013541.db2.gz WJOCJCPNCFAYFH-UHFFFAOYSA-N 1 0 382.414 3.937 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2ccccc2[C@@H]1C ZINC000669334825 855030286 /nfs/dbraw/zinc/03/02/86/855030286.db2.gz FTPXIKXZHMIRGB-DSKINZAPSA-N 1 0 393.535 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC000669335827 855044092 /nfs/dbraw/zinc/04/40/92/855044092.db2.gz YLFYKEKKEKCRNA-NRSPTQNISA-N 1 0 393.535 3.514 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CCC[C@H](C)C2)cc1OC ZINC000589835438 855157269 /nfs/dbraw/zinc/15/72/69/855157269.db2.gz NFZBIXRVQNSZPU-HNNXBMFYSA-N 1 0 397.357 3.844 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1 ZINC000106035812 855170975 /nfs/dbraw/zinc/17/09/75/855170975.db2.gz JGOMIZCVWCPUHW-UHFFFAOYSA-N 1 0 381.398 3.837 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCCCC)c(OC)c2)CC1 ZINC000106260291 855203004 /nfs/dbraw/zinc/20/30/04/855203004.db2.gz SOSDOBWCQGDCMP-UHFFFAOYSA-N 1 0 389.540 3.714 20 30 GHEDRO Cc1nccc(N2CCN(C(=O)N[C@H]3CCCc4sc(Cl)cc43)CC2)n1 ZINC000330205172 862660343 /nfs/dbraw/zinc/66/03/43/862660343.db2.gz CEMWTQNMOQAGSL-AWEZNQCLSA-N 1 0 391.928 3.614 20 30 GHEDRO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330208470 862661848 /nfs/dbraw/zinc/66/18/48/862661848.db2.gz BBDPUGMJQIBPKX-IYSOMAHNSA-N 1 0 399.579 3.621 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590194658 855317015 /nfs/dbraw/zinc/31/70/15/855317015.db2.gz BNHBDSXHCRPPCI-IUODEOHRSA-N 1 0 393.256 3.550 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1[NH+]1CCCC1 ZINC000499401355 855334833 /nfs/dbraw/zinc/33/48/33/855334833.db2.gz VGMIDBOAHQBNDI-FUHWJXTLSA-N 1 0 385.558 3.733 20 30 GHEDRO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000273420836 855362156 /nfs/dbraw/zinc/36/21/56/855362156.db2.gz JUTOPYAIOXYWSZ-PKOBYXMFSA-N 1 0 385.439 3.698 20 30 GHEDRO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867055 855365950 /nfs/dbraw/zinc/36/59/50/855365950.db2.gz UYSJQEHGFRNHIQ-INIZCTEOSA-N 1 0 379.287 3.931 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H](C(F)(F)F)C1 ZINC000590365181 855382160 /nfs/dbraw/zinc/38/21/60/855382160.db2.gz TZQJPJSROUKUDA-ZIAGYGMSSA-N 1 0 387.833 3.737 20 30 GHEDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001143585649 855400499 /nfs/dbraw/zinc/40/04/99/855400499.db2.gz NDCUUPDMLCSZTD-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO CC(C)[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(Cl)cc1 ZINC000330226046 862675871 /nfs/dbraw/zinc/67/58/71/862675871.db2.gz UGCQIXMKYNOXHS-IBGZPJMESA-N 1 0 389.931 3.948 20 30 GHEDRO N#Cc1c(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cccc1C(F)F ZINC000590577631 855496734 /nfs/dbraw/zinc/49/67/34/855496734.db2.gz HQFIZWASLUSQHM-QGZVFWFLSA-N 1 0 398.457 3.805 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)[NH+]2CCCCC2)cc1 ZINC000590616176 855509383 /nfs/dbraw/zinc/50/93/83/855509383.db2.gz XIGIEPDQQGFFAM-NFBKMPQASA-N 1 0 381.520 3.812 20 30 GHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)CCNC(=O)C3CCCCC3)C1)CCCC2 ZINC000330246639 862691605 /nfs/dbraw/zinc/69/16/05/862691605.db2.gz FGYJOGPNAOIEHU-SFHVURJKSA-N 1 0 386.540 3.771 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3snc(Cl)c3C#N)CC2)c1 ZINC000301098021 855618968 /nfs/dbraw/zinc/61/89/68/855618968.db2.gz KSIYEJQTDPYHOZ-UHFFFAOYSA-N 1 0 389.956 3.991 20 30 GHEDRO N#Cc1ccc(Cl)cc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301290945 855657105 /nfs/dbraw/zinc/65/71/05/855657105.db2.gz UFOKYWJZJULYEV-SFHVURJKSA-N 1 0 395.938 3.645 20 30 GHEDRO C[C@H]1CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000590939404 855664707 /nfs/dbraw/zinc/66/47/07/855664707.db2.gz CTGPCGWZYOGTSL-WZONZLPQSA-N 1 0 388.515 3.709 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000465716821 855668928 /nfs/dbraw/zinc/66/89/28/855668928.db2.gz GSPFRALMJOXUJJ-RJGXRXQPSA-N 1 0 390.531 3.641 20 30 GHEDRO CC(C)(C)c1cnc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000330269522 862708487 /nfs/dbraw/zinc/70/84/87/862708487.db2.gz SAACSQIXRZZAHS-CABCVRRESA-N 1 0 380.558 3.534 20 30 GHEDRO Cc1[nH+]c2ccc(Br)cc2c(NCCCc2[nH]nc(N)c2C#N)c1C ZINC000301536123 855712285 /nfs/dbraw/zinc/71/22/85/855712285.db2.gz QSMQDWDZBPPIPQ-UHFFFAOYSA-N 1 0 399.296 3.836 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000574692580 855714070 /nfs/dbraw/zinc/71/40/70/855714070.db2.gz BFKYGRGNWOUZRV-HVCNVCAESA-N 1 0 389.543 3.798 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CCO[C@@H](c3ccc(OC)cc3)C1)C2 ZINC001168644456 855735297 /nfs/dbraw/zinc/73/52/97/855735297.db2.gz RFMRCGFDRFLISS-BGWNEDDSSA-N 1 0 398.547 3.948 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2cccc(C#N)c2)c(OC)cc1Cl ZINC000591022959 855743066 /nfs/dbraw/zinc/74/30/66/855743066.db2.gz KDMWTEHQVMCJAR-CYBMUJFWSA-N 1 0 387.867 3.908 20 30 GHEDRO N#Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000301691395 855743098 /nfs/dbraw/zinc/74/30/98/855743098.db2.gz YTWPETOGSPLHRE-HNNXBMFYSA-N 1 0 391.353 3.567 20 30 GHEDRO CCc1nc2sccc2c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000301835215 855766462 /nfs/dbraw/zinc/76/64/62/855766462.db2.gz UCCOQEXCWNQKJV-UHFFFAOYSA-N 1 0 377.517 3.838 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)nn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301961843 855790286 /nfs/dbraw/zinc/79/02/86/855790286.db2.gz IGMKFHMCXWLWDP-KBXCAEBGSA-N 1 0 375.398 3.862 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(c3ccc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000302067050 855811111 /nfs/dbraw/zinc/81/11/11/855811111.db2.gz BBTVPHOBEMYRKV-GJZGRUSLSA-N 1 0 392.341 3.646 20 30 GHEDRO N#Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302208749 855835363 /nfs/dbraw/zinc/83/53/63/855835363.db2.gz XZACZTXCDAYYSQ-GHTZIAJQSA-N 1 0 376.460 3.957 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(F)(F)F ZINC000591305220 855900747 /nfs/dbraw/zinc/90/07/47/855900747.db2.gz ICLLFAPUBWDLCC-KBPBESRZSA-N 1 0 396.413 3.700 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000466606680 862738935 /nfs/dbraw/zinc/73/89/35/862738935.db2.gz JJRKWXHSPIDQCV-LJQANCHMSA-N 1 0 399.539 3.930 20 30 GHEDRO C[N@H+](CCNC(=O)c1cccc(OCc2ccccc2C#N)c1)Cc1ccccc1 ZINC000108823979 856030406 /nfs/dbraw/zinc/03/04/06/856030406.db2.gz BDOSHKSLDBDIPG-UHFFFAOYSA-N 1 0 399.494 3.999 20 30 GHEDRO N#CC1(NC(=O)C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CCCCC1 ZINC000303147620 856034400 /nfs/dbraw/zinc/03/44/00/856034400.db2.gz FOIOKUDTOGVUOP-UHFFFAOYSA-N 1 0 381.520 3.709 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCSCc2ccccc2C#N)c1 ZINC000140176542 856072054 /nfs/dbraw/zinc/07/20/54/856072054.db2.gz LUKJACMXOZPUEX-UHFFFAOYSA-N 1 0 396.560 3.743 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000441741332 856161006 /nfs/dbraw/zinc/16/10/06/856161006.db2.gz OQRIIIQUAWRQSP-ACJLOTCBSA-N 1 0 389.377 3.913 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000171513517 856167745 /nfs/dbraw/zinc/16/77/45/856167745.db2.gz KSYSGOOTZMYJSW-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000181134823 862765182 /nfs/dbraw/zinc/76/51/82/862765182.db2.gz LNNVZLAQRAYPSN-JTHBVZDNSA-N 1 0 395.478 3.516 20 30 GHEDRO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000303962043 856215093 /nfs/dbraw/zinc/21/50/93/856215093.db2.gz ZZQJKGGALBHUDO-QKNQBKEWSA-N 1 0 375.557 3.635 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCOCC23CCCC3)sc2c1CCCCC2 ZINC000536490477 856239634 /nfs/dbraw/zinc/23/96/34/856239634.db2.gz HHBJALCTBOIEBI-UHFFFAOYSA-N 1 0 387.549 3.862 20 30 GHEDRO C=CCOc1cccc(CNc2ccc(CC(=O)N3CCN(CC)CC3)cc2)c1 ZINC000152429832 856240744 /nfs/dbraw/zinc/24/07/44/856240744.db2.gz LKGPNXYCNJBTQD-UHFFFAOYSA-N 1 0 393.531 3.570 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(-c3ccc(Oc4ccc(F)cc4)nc3)no1)C2 ZINC000905303039 856267578 /nfs/dbraw/zinc/26/75/78/856267578.db2.gz CFPAZOUCYOMQNS-FAGJFJLWSA-N 1 0 391.406 3.670 20 30 GHEDRO COC(=O)Nc1ccc(CC[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000265623747 856291651 /nfs/dbraw/zinc/29/16/51/856291651.db2.gz ARMCVZYEYMYFID-UHFFFAOYSA-N 1 0 397.475 3.888 20 30 GHEDRO C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000171909229 856303743 /nfs/dbraw/zinc/30/37/43/856303743.db2.gz AZLWFJCHRHVFMF-SFHVURJKSA-N 1 0 376.504 3.753 20 30 GHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508902958 856308113 /nfs/dbraw/zinc/30/81/13/856308113.db2.gz MPSZVBRMMRHMLS-UHFFFAOYSA-N 1 0 395.551 3.540 20 30 GHEDRO COc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1F ZINC000172118509 856343595 /nfs/dbraw/zinc/34/35/95/856343595.db2.gz NTNSHGHLVLBUBJ-UHFFFAOYSA-N 1 0 378.451 3.944 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000624837743 856448514 /nfs/dbraw/zinc/44/85/14/856448514.db2.gz VSEIUMWNNBPSQD-VAMGGRTRSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000573750730 856469973 /nfs/dbraw/zinc/46/99/73/856469973.db2.gz ZIJCEIOBSGVOJS-UHFFFAOYSA-N 1 0 396.413 3.661 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000110383559 856522882 /nfs/dbraw/zinc/52/28/82/856522882.db2.gz CKHSRCIQFMWOGR-IRFPFTSISA-N 1 0 389.499 3.637 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000172831454 856626411 /nfs/dbraw/zinc/62/64/11/856626411.db2.gz PTIQXUBKYCYTNE-IBGZPJMESA-N 1 0 381.476 3.677 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000172849718 856636202 /nfs/dbraw/zinc/63/62/02/856636202.db2.gz ZFLHPESYEZDRIP-MOPGFXCFSA-N 1 0 383.442 3.530 20 30 GHEDRO COCC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000467265125 856654518 /nfs/dbraw/zinc/65/45/18/856654518.db2.gz TUCJGWAGMFFOAB-QZTJIDSGSA-N 1 0 375.488 3.599 20 30 GHEDRO CCCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCc2ncsc2C1 ZINC000592189852 856686738 /nfs/dbraw/zinc/68/67/38/856686738.db2.gz XURMXFULXNTHGS-KRWDZBQOSA-N 1 0 388.581 3.787 20 30 GHEDRO CCOc1c(OC)cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1OC ZINC000507945111 856728757 /nfs/dbraw/zinc/72/87/57/856728757.db2.gz KCMIPQCUPYDHLV-UHFFFAOYSA-N 1 0 395.503 3.733 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000485551900 856738834 /nfs/dbraw/zinc/73/88/34/856738834.db2.gz PXZSMCVDQWPKLD-LSWJPFSZSA-N 1 0 394.563 3.640 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592178081 856763271 /nfs/dbraw/zinc/76/32/71/856763271.db2.gz VRZLPSCCSRVLMY-JOCHJYFZSA-N 1 0 375.472 3.546 20 30 GHEDRO C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1sc3c(c1C#N)CCCC3)CCOCC2 ZINC000592181094 856763510 /nfs/dbraw/zinc/76/35/10/856763510.db2.gz BZVVQSBJLSEMAD-HNNXBMFYSA-N 1 0 387.549 3.718 20 30 GHEDRO C=CCOc1cccc(NC(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)c1 ZINC000520786828 856778708 /nfs/dbraw/zinc/77/87/08/856778708.db2.gz KFCUEFJRGMPIAJ-UHFFFAOYSA-N 1 0 387.524 3.797 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000520787794 856789984 /nfs/dbraw/zinc/78/99/84/856789984.db2.gz DTWRYQSOYNIXSF-UHFFFAOYSA-N 1 0 385.552 3.808 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000245445144 856861102 /nfs/dbraw/zinc/86/11/02/856861102.db2.gz KCIZBGCLRMILDH-SJLPKXTDSA-N 1 0 394.519 3.692 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1C#N ZINC000245448216 856866379 /nfs/dbraw/zinc/86/63/79/856866379.db2.gz MSMHLTSGPWMSHR-FXAWDEMLSA-N 1 0 380.492 3.821 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000173598829 857016523 /nfs/dbraw/zinc/01/65/23/857016523.db2.gz CPLDGSXZWKJBEB-OAQYLSRUSA-N 1 0 391.515 3.941 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000733327979 862870225 /nfs/dbraw/zinc/87/02/25/862870225.db2.gz OETAHARKDBEJDX-FQEVSTJZSA-N 1 0 386.289 3.865 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)cc1 ZINC000733328689 862870804 /nfs/dbraw/zinc/87/08/04/862870804.db2.gz YAXHQZTXCSLLGT-KRWDZBQOSA-N 1 0 385.305 3.830 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](OC)C(F)(F)F)cc1OC ZINC000733330343 862871920 /nfs/dbraw/zinc/87/19/20/862871920.db2.gz UMQALWYPYYTMGQ-CYBMUJFWSA-N 1 0 398.219 3.689 20 30 GHEDRO N#CCCN(C(=O)CN1CCC(c2ncccc2Cl)CC1)c1ccccc1 ZINC000429214898 862881434 /nfs/dbraw/zinc/88/14/34/862881434.db2.gz ZJMGGDJDZKKGCL-UHFFFAOYSA-N 1 0 382.895 3.861 20 30 GHEDRO N#CCSc1ccccc1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000921969954 857352495 /nfs/dbraw/zinc/35/24/95/857352495.db2.gz YCRSGLJYUNFYHL-IBGZPJMESA-N 1 0 392.528 3.839 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ccc(F)c(F)c2)c(-c2ccccc2)n1 ZINC000113339004 857434551 /nfs/dbraw/zinc/43/45/51/857434551.db2.gz ULVXTSYKUJDRMC-UHFFFAOYSA-N 1 0 382.414 3.911 20 30 GHEDRO N#Cc1cccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000175083021 857436990 /nfs/dbraw/zinc/43/69/90/857436990.db2.gz ASXGBWSTANQLKN-UHFFFAOYSA-N 1 0 392.503 3.751 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000520989183 857465563 /nfs/dbraw/zinc/46/55/63/857465563.db2.gz QMODFFLODUOXIM-MRXNPFEDSA-N 1 0 385.895 3.569 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1 ZINC000042995346 857471567 /nfs/dbraw/zinc/47/15/67/857471567.db2.gz QDJNFAJSQFFWLC-UHFFFAOYSA-N 1 0 396.922 3.672 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000442094964 857502505 /nfs/dbraw/zinc/50/25/05/857502505.db2.gz YIZRGIHOUUTBBL-ZDUSSCGKSA-N 1 0 384.402 3.556 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000593580524 857631352 /nfs/dbraw/zinc/63/13/52/857631352.db2.gz GNFRXMHPSAACBA-LAUBAEHRSA-N 1 0 399.560 3.766 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000508387289 857664690 /nfs/dbraw/zinc/66/46/90/857664690.db2.gz ORVKVVSOIBKMGG-UHFFFAOYSA-N 1 0 390.684 3.549 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000574321820 857698965 /nfs/dbraw/zinc/69/89/65/857698965.db2.gz KUDGLHLHPMEFDR-UHFFFAOYSA-N 1 0 381.785 3.750 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000624353915 857742409 /nfs/dbraw/zinc/74/24/09/857742409.db2.gz CRQGHWPMQJOPDY-OALUTQOASA-N 1 0 385.508 3.541 20 30 GHEDRO CC(C)(C#N)c1ccc(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000593943994 857776055 /nfs/dbraw/zinc/77/60/55/857776055.db2.gz HVURSMJSPDUMLY-UHFFFAOYSA-N 1 0 390.531 3.925 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000009710385 857929249 /nfs/dbraw/zinc/92/92/49/857929249.db2.gz AWXNWKDCQHWPCN-UHFFFAOYSA-N 1 0 382.895 3.629 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000466039873 857961785 /nfs/dbraw/zinc/96/17/85/857961785.db2.gz SZMYHPHQTFNKPF-PXNSSMCTSA-N 1 0 392.503 3.936 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc2cccc(Br)c21 ZINC000508399038 857986490 /nfs/dbraw/zinc/98/64/90/857986490.db2.gz DKGFBCYLZUJKPZ-UHFFFAOYSA-N 1 0 388.309 3.910 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c1 ZINC000908216362 858000568 /nfs/dbraw/zinc/00/05/68/858000568.db2.gz CYVOSHHOUMTACT-XWTGJVNOSA-N 1 0 382.508 3.625 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1ccc(Br)c(C)c1 ZINC000521519143 858070159 /nfs/dbraw/zinc/07/01/59/858070159.db2.gz GODVUIVLROQYRV-ZDUSSCGKSA-N 1 0 380.330 3.590 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)CC1 ZINC000521570285 858123911 /nfs/dbraw/zinc/12/39/11/858123911.db2.gz BEWRXGCOTIUIFT-SFHVURJKSA-N 1 0 379.504 3.992 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000574755813 858161748 /nfs/dbraw/zinc/16/17/48/858161748.db2.gz HELSQUOKFJFJNO-MRXNPFEDSA-N 1 0 393.457 3.670 20 30 GHEDRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1Cl ZINC000594429100 858174106 /nfs/dbraw/zinc/17/41/06/858174106.db2.gz QUDORUKEVLNBQD-KBXCAEBGSA-N 1 0 390.915 3.704 20 30 GHEDRO Cc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000594428403 858174441 /nfs/dbraw/zinc/17/44/41/858174441.db2.gz NGFODVVITQQLAR-HNNXBMFYSA-N 1 0 379.386 3.549 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000594430333 858175241 /nfs/dbraw/zinc/17/52/41/858175241.db2.gz ZPGXZTFHFJKXSR-HNNXBMFYSA-N 1 0 380.279 3.588 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000594440805 858178351 /nfs/dbraw/zinc/17/83/51/858178351.db2.gz ZQOFPAADRULGNT-LBPRGKRZSA-N 1 0 380.420 3.761 20 30 GHEDRO N#CC1CCC(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000442868945 858186214 /nfs/dbraw/zinc/18/62/14/858186214.db2.gz OSRVUYWVEVSPRJ-SEEARECTSA-N 1 0 397.338 3.587 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000594506867 858197050 /nfs/dbraw/zinc/19/70/50/858197050.db2.gz FZPVPROCDDMIRH-OAQYLSRUSA-N 1 0 376.460 3.708 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000594741677 858280445 /nfs/dbraw/zinc/28/04/45/858280445.db2.gz DUBFPEMTPHUMCF-UHFFFAOYSA-N 1 0 391.562 3.575 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000521807969 858333629 /nfs/dbraw/zinc/33/36/29/858333629.db2.gz JNCYSQBMFVVLLD-UHFFFAOYSA-N 1 0 388.581 3.551 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000594969659 858334485 /nfs/dbraw/zinc/33/44/85/858334485.db2.gz YDOKTGXFXXAADG-SFHVURJKSA-N 1 0 392.425 3.938 20 30 GHEDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000594994972 858360647 /nfs/dbraw/zinc/36/06/47/858360647.db2.gz YKNCGOSWMSDUGL-NRFANRHFSA-N 1 0 391.515 3.874 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ccc1C#N ZINC000594999315 858361735 /nfs/dbraw/zinc/36/17/35/858361735.db2.gz DAMAKVKDFQZSND-JOCHJYFZSA-N 1 0 375.516 3.959 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1(C#N)CCCCC1 ZINC000595091957 858417197 /nfs/dbraw/zinc/41/71/97/858417197.db2.gz UCFPNTBIGCCNEP-INIZCTEOSA-N 1 0 382.508 3.816 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC000595231052 858447530 /nfs/dbraw/zinc/44/75/30/858447530.db2.gz YAJUJPZYQAKKCW-OAHLLOKOSA-N 1 0 380.414 3.821 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595269529 858458087 /nfs/dbraw/zinc/45/80/87/858458087.db2.gz CBUBXDLZYYAQAG-SSGKUCQKSA-N 1 0 388.515 3.613 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000508416029 858466868 /nfs/dbraw/zinc/46/68/68/858466868.db2.gz YZRRBOFFJQEYPY-UHFFFAOYSA-N 1 0 394.519 3.704 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115349919 858502006 /nfs/dbraw/zinc/50/20/06/858502006.db2.gz BLEIWIZPMPGWPJ-OAQYLSRUSA-N 1 0 391.515 3.987 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595573700 858556941 /nfs/dbraw/zinc/55/69/41/858556941.db2.gz HMDUMTUFXAMVAD-OGWOLHLISA-N 1 0 392.906 3.807 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593027116 858564999 /nfs/dbraw/zinc/56/49/99/858564999.db2.gz NTIMLFHJBBOHFP-AWEZNQCLSA-N 1 0 393.369 3.598 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)C(C)C ZINC000046905729 858599125 /nfs/dbraw/zinc/59/91/25/858599125.db2.gz DDKOEGKMEMUYHX-DYESRHJHSA-N 1 0 398.551 3.630 20 30 GHEDRO CC(C)([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(C#N)c1 ZINC000595639509 858634679 /nfs/dbraw/zinc/63/46/79/858634679.db2.gz KWMRTUHMNAVDMD-UHFFFAOYSA-N 1 0 390.487 3.539 20 30 GHEDRO COC(=O)c1ccc(Cl)c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595765725 858664285 /nfs/dbraw/zinc/66/42/85/858664285.db2.gz WJKQZMYGIMMVLK-UHFFFAOYSA-N 1 0 384.863 3.794 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC[C@H]3Sc4ccccc4NC3=O)CCOCC2)c1 ZINC000595769851 858665708 /nfs/dbraw/zinc/66/57/08/858665708.db2.gz UJSSAGPOONKDCJ-HXUWFJFHSA-N 1 0 393.512 3.657 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000595781462 858686231 /nfs/dbraw/zinc/68/62/31/858686231.db2.gz UFCVUZXFAXDGMS-LJQANCHMSA-N 1 0 396.535 3.518 20 30 GHEDRO N#Cc1cc2cccnc2nc1NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000596081331 858775894 /nfs/dbraw/zinc/77/58/94/858775894.db2.gz FTKZSBYMHKBVLR-UHFFFAOYSA-N 1 0 386.503 3.516 20 30 GHEDRO CC(C)(NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000596133916 858789223 /nfs/dbraw/zinc/78/92/23/858789223.db2.gz HFMDLGKCCZUMFW-NRFANRHFSA-N 1 0 376.504 3.930 20 30 GHEDRO C=CCN1C(=O)N(CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000761151523 858798717 /nfs/dbraw/zinc/79/87/17/858798717.db2.gz PVHQGNMRGUUDRG-QUCCMNQESA-N 1 0 383.536 3.558 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ncccc2OCCCC#N)[C@H](C(F)(F)F)C1 ZINC000550500657 858799808 /nfs/dbraw/zinc/79/98/08/858799808.db2.gz YZBSURGZEDXRRL-ZIAGYGMSSA-N 1 0 398.429 3.611 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000116063730 858809645 /nfs/dbraw/zinc/80/96/45/858809645.db2.gz RUJGUTGOEZZBRP-MSOLQXFVSA-N 1 0 377.488 3.667 20 30 GHEDRO Cc1c(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cnn1CC(C)C ZINC000593175601 858876988 /nfs/dbraw/zinc/87/69/88/858876988.db2.gz WAUOSRONKCXHLO-UHFFFAOYSA-N 1 0 394.523 3.505 20 30 GHEDRO CCCc1cnc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593177699 858901741 /nfs/dbraw/zinc/90/17/41/858901741.db2.gz TUJNEEMATKRHOP-UHFFFAOYSA-N 1 0 383.521 3.753 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184351178 858918660 /nfs/dbraw/zinc/91/86/60/858918660.db2.gz OJUYSBOGZYHRPO-UONOGXRCSA-N 1 0 388.512 3.916 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000596502092 858929414 /nfs/dbraw/zinc/92/94/14/858929414.db2.gz BKUBWOUIHPCRDB-XZOQPEGZSA-N 1 0 390.531 3.990 20 30 GHEDRO CC1CC[NH+](Cc2ccc(-c3noc(CC4(C#N)CCOCC4)n3)cc2)CC1 ZINC000596581957 858945612 /nfs/dbraw/zinc/94/56/12/858945612.db2.gz BVIYSXXOQUSJTJ-UHFFFAOYSA-N 1 0 380.492 3.831 20 30 GHEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429309484 858986748 /nfs/dbraw/zinc/98/67/48/858986748.db2.gz RJBODPOUFXSFOM-ROUUACIJSA-N 1 0 398.304 3.760 20 30 GHEDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000439297884 859001099 /nfs/dbraw/zinc/00/10/99/859001099.db2.gz SVRUFLJZFBEBOC-MEMLXQNLSA-N 1 0 380.488 3.881 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1ccccc1 ZINC000556997067 881372014 /nfs/dbraw/zinc/37/20/14/881372014.db2.gz JNYZYNKNIYCETE-RYQLBKOJSA-N 1 0 376.460 3.860 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(C2CCCC2)n1 ZINC000922218519 859032093 /nfs/dbraw/zinc/03/20/93/859032093.db2.gz BCUXCTYIGQYSIC-UHFFFAOYSA-N 1 0 377.536 3.704 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000593227907 859062274 /nfs/dbraw/zinc/06/22/74/859062274.db2.gz VVSIBXXQEASRQU-HRCADAONSA-N 1 0 382.895 3.730 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1(C#N)CCCCC1 ZINC000596863036 859143084 /nfs/dbraw/zinc/14/30/84/859143084.db2.gz CCRTUOVOMIBHAP-UHFFFAOYSA-N 1 0 378.467 3.512 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429384111 859217747 /nfs/dbraw/zinc/21/77/47/859217747.db2.gz RVTCKPXXRYHGEB-UGSOOPFHSA-N 1 0 392.341 3.670 20 30 GHEDRO Cc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000042643466 859298941 /nfs/dbraw/zinc/29/89/41/859298941.db2.gz XNEDMXZVFVWIIC-FQEVSTJZSA-N 1 0 390.531 3.710 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3(c4ccccc4)CC3)CC2)c1 ZINC000593300271 859344901 /nfs/dbraw/zinc/34/49/01/859344901.db2.gz MMTJPUFSVIILCF-UHFFFAOYSA-N 1 0 388.515 3.554 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000429430321 859355139 /nfs/dbraw/zinc/35/51/39/859355139.db2.gz LAFUZVHRUZWWLT-BBRMVZONSA-N 1 0 391.284 3.962 20 30 GHEDRO N#Cc1ccc(OCC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)cc1 ZINC000593312044 859362186 /nfs/dbraw/zinc/36/21/86/859362186.db2.gz JZOGUPRVXXMENC-UHFFFAOYSA-N 1 0 381.501 3.764 20 30 GHEDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597231196 859365619 /nfs/dbraw/zinc/36/56/19/859365619.db2.gz JHBKMVVVQVFDEX-NRFANRHFSA-N 1 0 391.515 3.874 20 30 GHEDRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000597225941 859377561 /nfs/dbraw/zinc/37/75/61/859377561.db2.gz HQZCDXBYFHDGPH-GOTSBHOMSA-N 1 0 389.503 3.707 20 30 GHEDRO Cc1ccccc1C[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593315352 859384421 /nfs/dbraw/zinc/38/44/21/859384421.db2.gz DSGGXUOCEDQICC-IBGZPJMESA-N 1 0 390.531 3.762 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCc4ccccc43)CC2)c1 ZINC000593341523 859493607 /nfs/dbraw/zinc/49/36/07/859493607.db2.gz FNRSWTZCYPVCQE-NRFANRHFSA-N 1 0 388.515 3.552 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1CC1 ZINC000597403585 859505228 /nfs/dbraw/zinc/50/52/28/859505228.db2.gz MICNCAUFUHGRHZ-UHFFFAOYSA-N 1 0 392.551 3.570 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000764575458 859512992 /nfs/dbraw/zinc/51/29/92/859512992.db2.gz UFYBSZDMNOTABP-JPYJTQIMSA-N 1 0 382.479 3.562 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 ZINC000593351871 859531837 /nfs/dbraw/zinc/53/18/37/859531837.db2.gz ULIIEBOZGORWPQ-FGZHOGPDSA-N 1 0 377.463 3.582 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCSc3ccc(F)cc3)CC2)c1 ZINC000593352113 859532650 /nfs/dbraw/zinc/53/26/50/859532650.db2.gz CNLHEZRVRZERPX-UHFFFAOYSA-N 1 0 397.519 3.960 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593352659 859535616 /nfs/dbraw/zinc/53/56/16/859535616.db2.gz KJBHTEKPQYOWBZ-VGOFRKELSA-N 1 0 391.515 3.988 20 30 GHEDRO CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000597436254 859539255 /nfs/dbraw/zinc/53/92/55/859539255.db2.gz FROJBYWEPPQYID-SFTDATJTSA-N 1 0 388.600 3.646 20 30 GHEDRO Cc1cccc(OCCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593356713 859574440 /nfs/dbraw/zinc/57/44/40/859574440.db2.gz ZSRVNEXHMDKRNX-UHFFFAOYSA-N 1 0 391.515 3.725 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000106275101 859594942 /nfs/dbraw/zinc/59/49/42/859594942.db2.gz LUFQQRQYSHFJHU-LJQANCHMSA-N 1 0 387.524 3.591 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3cccnc3)CC1)CCC2 ZINC000611258708 859669450 /nfs/dbraw/zinc/66/94/50/859669450.db2.gz FJQVJQWTPWJHGV-UHFFFAOYSA-N 1 0 380.517 3.712 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000611284840 859682590 /nfs/dbraw/zinc/68/25/90/859682590.db2.gz DDBZEUDBVHTWBU-QHCPKHFHSA-N 1 0 388.515 3.804 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 ZINC000601970401 859683433 /nfs/dbraw/zinc/68/34/33/859683433.db2.gz XAHUUHBRJLAUNG-CYBMUJFWSA-N 1 0 376.806 3.520 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350191 859713886 /nfs/dbraw/zinc/71/38/86/859713886.db2.gz DRMMLQPJHSPNRZ-GUDVDZBRSA-N 1 0 387.499 3.599 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)c1cccc(Cl)c1 ZINC000611350790 859714950 /nfs/dbraw/zinc/71/49/50/859714950.db2.gz SFJLVXULJFMNOG-ROUUACIJSA-N 1 0 389.927 3.725 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000764999678 859728889 /nfs/dbraw/zinc/72/88/89/859728889.db2.gz LIWXJJVKGVKRAF-CTNGQTDRSA-N 1 0 376.504 3.590 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000764999682 859729002 /nfs/dbraw/zinc/72/90/02/859729002.db2.gz LIWXJJVKGVKRAF-FPOVZHCZSA-N 1 0 376.504 3.590 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000611473322 859772943 /nfs/dbraw/zinc/77/29/43/859772943.db2.gz FIULDYSGHNUWDL-BJKOFHAPSA-N 1 0 375.516 3.552 20 30 GHEDRO Cc1ccccc1C[N@H+]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000611518085 859796711 /nfs/dbraw/zinc/79/67/11/859796711.db2.gz LNQABYLBHVGOSP-UHFFFAOYSA-N 1 0 399.542 3.975 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)cc2)cc1 ZINC000602167650 859820099 /nfs/dbraw/zinc/82/00/99/859820099.db2.gz PWSRGITUVBQDAY-BGYRXZFFSA-N 1 0 375.472 3.902 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2cccc(OC)c2)cc1 ZINC000765405504 859957368 /nfs/dbraw/zinc/95/73/68/859957368.db2.gz OSEZBLYMRWWHBW-MRXNPFEDSA-N 1 0 388.895 3.907 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000092034456 859979720 /nfs/dbraw/zinc/97/97/20/859979720.db2.gz PHIZPQBIQIXAPG-UHFFFAOYSA-N 1 0 376.435 3.926 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H]([NH+]3CCCC3)C2)c1=S ZINC000727169654 859981788 /nfs/dbraw/zinc/98/17/88/859981788.db2.gz MMIXNSBSODOUIL-LJQANCHMSA-N 1 0 383.565 3.703 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000123520011 859987954 /nfs/dbraw/zinc/98/79/54/859987954.db2.gz DTPUMBCNQCQISR-UHFFFAOYSA-N 1 0 394.475 3.917 20 30 GHEDRO COc1cc(-c2noc(-c3ccc(C#N)cc3C)n2)ccc1OCC[NH+](C)C ZINC000544965980 859990826 /nfs/dbraw/zinc/99/08/26/859990826.db2.gz JDJPCIVTMPMMEK-UHFFFAOYSA-N 1 0 378.432 3.533 20 30 GHEDRO C=CCn1c(C2CC2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508919216 860011212 /nfs/dbraw/zinc/01/12/12/860011212.db2.gz QCEGWZJJTXDIRL-UHFFFAOYSA-N 1 0 377.536 3.834 20 30 GHEDRO C=CCn1c(SC[C@@H]2CC[N@H+](C)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000484492769 860032401 /nfs/dbraw/zinc/03/24/01/860032401.db2.gz UAQPNLGJMILPKO-ZIAGYGMSSA-N 1 0 389.590 3.813 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000474430824 860069994 /nfs/dbraw/zinc/06/99/94/860069994.db2.gz ZRKPCSPXUPVBEX-UHFFFAOYSA-N 1 0 376.504 3.882 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)ccc1OCC(F)(F)F ZINC000602507175 860081481 /nfs/dbraw/zinc/08/14/81/860081481.db2.gz CJSWFKARZMSGKP-CQSZACIVSA-N 1 0 386.414 3.825 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602526215 860097825 /nfs/dbraw/zinc/09/78/25/860097825.db2.gz FDKQHAIVAGURPQ-OALUTQOASA-N 1 0 398.551 3.692 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(-c3ccc(-n4cnc5ccccc54)cc3)no1)C2 ZINC000904103158 860125671 /nfs/dbraw/zinc/12/56/71/860125671.db2.gz PUAPQYBVLZCVFF-BNGSBABLSA-N 1 0 396.454 3.682 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C[C@H]3CCN(c4ccccc4)C3)CC2)nc1 ZINC000602577162 860141388 /nfs/dbraw/zinc/14/13/88/860141388.db2.gz UGRWTNXNXKYLIK-VRKFHHGPSA-N 1 0 376.504 3.759 20 30 GHEDRO COc1ccccc1C[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499912788 860173097 /nfs/dbraw/zinc/17/30/97/860173097.db2.gz KZYPUWYYSSJCKP-IBGZPJMESA-N 1 0 393.531 3.726 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000484602453 860173574 /nfs/dbraw/zinc/17/35/74/860173574.db2.gz VYEGHHWEOGDTHI-MOPGFXCFSA-N 1 0 375.561 3.672 20 30 GHEDRO Cc1cc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)ccc1I ZINC000602649730 860181163 /nfs/dbraw/zinc/18/11/63/860181163.db2.gz XUFICTOCYMAPOW-CQSZACIVSA-N 1 0 398.288 3.788 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000602729162 860239792 /nfs/dbraw/zinc/23/97/92/860239792.db2.gz RMOFYZOXIMPASH-UOAMXJAYSA-N 1 0 375.310 3.776 20 30 GHEDRO COC(=O)c1cc(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)no1 ZINC000602748794 860253872 /nfs/dbraw/zinc/25/38/72/860253872.db2.gz UJCVCMIUEDNZCG-UHFFFAOYSA-N 1 0 383.448 3.523 20 30 GHEDRO CC1(C)NC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)N(CC2CCCCC2)C1=O ZINC000602756889 860260585 /nfs/dbraw/zinc/26/05/85/860260585.db2.gz JICLATUTDWGCQW-UHFFFAOYSA-N 1 0 394.563 3.641 20 30 GHEDRO N#CC1(c2ccccc2)CCC(N(c2ncc(F)cn2)C2CC[NH2+]CC2)CC1 ZINC001170398662 881532888 /nfs/dbraw/zinc/53/28/88/881532888.db2.gz SIVXIIBDYSVWLX-UHFFFAOYSA-N 1 0 379.483 3.578 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000598536842 860380419 /nfs/dbraw/zinc/38/04/19/860380419.db2.gz ZLATVIYDNQFTOU-QGZVFWFLSA-N 1 0 397.544 3.797 20 30 GHEDRO CC1(C)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000428933405 860422604 /nfs/dbraw/zinc/42/26/04/860422604.db2.gz UPNNAPSSCOWBCJ-CQSZACIVSA-N 1 0 389.805 3.582 20 30 GHEDRO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@H](O)CC(C)(C)C#N)OCCO3 ZINC000598587447 860434189 /nfs/dbraw/zinc/43/41/89/860434189.db2.gz QQJVLLYPYNBIDL-IAGOWNOFSA-N 1 0 384.520 3.947 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000598594216 860437256 /nfs/dbraw/zinc/43/72/56/860437256.db2.gz ZVULAMUJVBEYCV-BBRMVZONSA-N 1 0 398.288 3.729 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000598596416 860439066 /nfs/dbraw/zinc/43/90/66/860439066.db2.gz PVEFHIAADJBWOF-WBVHZDCISA-N 1 0 388.899 3.870 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000598699662 860512361 /nfs/dbraw/zinc/51/23/61/860512361.db2.gz HMAFQLGQHLGTHH-VQTJNVASSA-N 1 0 383.561 3.738 20 30 GHEDRO CC(C)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025535624 860534914 /nfs/dbraw/zinc/53/49/14/860534914.db2.gz XARZVYYNZRPUAA-WZONZLPQSA-N 1 0 391.515 3.525 20 30 GHEDRO COc1cccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000484969116 860556138 /nfs/dbraw/zinc/55/61/38/860556138.db2.gz KJLKCDOYHXAEPR-NRFANRHFSA-N 1 0 395.528 3.612 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](C/C=C/C)C1 ZINC000624979792 860586529 /nfs/dbraw/zinc/58/65/29/860586529.db2.gz NKQCRSLLXLRFPQ-JKKVLMFISA-N 1 0 385.556 3.573 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)CC1 ZINC001170383286 881559013 /nfs/dbraw/zinc/55/90/13/881559013.db2.gz KLDPTGUFACJVJR-QHSWPGFUSA-N 1 0 386.543 3.849 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC2CCN(CC(F)F)CC2)c(-c2ccccc2)n1 ZINC000598918678 860675239 /nfs/dbraw/zinc/67/52/39/860675239.db2.gz UBRTTXZRCROJMD-UHFFFAOYSA-N 1 0 387.478 3.530 20 30 GHEDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)n1 ZINC000922864941 860690016 /nfs/dbraw/zinc/69/00/16/860690016.db2.gz GNNICBGXUNHKJL-SJORKVTESA-N 1 0 384.480 3.749 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000598969983 860706467 /nfs/dbraw/zinc/70/64/67/860706467.db2.gz PEHWHDBRKUTGEX-RTBURBONSA-N 1 0 382.552 3.578 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000429021908 860718647 /nfs/dbraw/zinc/71/86/47/860718647.db2.gz SCDXPQXGXDLRDZ-VVSUKSJXSA-N 1 0 396.579 3.601 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000156263774 860731816 /nfs/dbraw/zinc/73/18/16/860731816.db2.gz JEWRJDPZEMFTIV-UHFFFAOYSA-N 1 0 392.931 3.814 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000593676550 860794440 /nfs/dbraw/zinc/79/44/40/860794440.db2.gz ODUCBHOLHLQZRC-UHFFFAOYSA-N 1 0 387.487 3.641 20 30 GHEDRO CC(C)(C)CC(=O)N1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593693056 860864523 /nfs/dbraw/zinc/86/45/23/860864523.db2.gz NFVGGIVACKHZPE-UHFFFAOYSA-N 1 0 396.579 3.539 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cnc([C@H]4CCCO4)s3)CC2)c1 ZINC000593693124 860867748 /nfs/dbraw/zinc/86/77/48/860867748.db2.gz PTZUTDREFAMRDN-HXUWFJFHSA-N 1 0 382.533 3.620 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1COc2ccccc21 ZINC000185557899 860963982 /nfs/dbraw/zinc/96/39/82/860963982.db2.gz NVYYBRRSQAUXDK-KBXCAEBGSA-N 1 0 395.528 3.981 20 30 GHEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000170911550 860970685 /nfs/dbraw/zinc/97/06/85/860970685.db2.gz FQNBDIMQOXIIAF-MRXNPFEDSA-N 1 0 379.430 3.910 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329043018 860971605 /nfs/dbraw/zinc/97/16/05/860971605.db2.gz ITACVNVERZLPLE-YHEJVBIMSA-N 1 0 389.515 3.500 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](CCc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000599256102 860987729 /nfs/dbraw/zinc/98/77/29/860987729.db2.gz RUADKUZKLHEMPM-QHCPKHFHSA-N 1 0 378.516 3.803 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2ccccc2)Cc2ccccc2F)CCOCC1 ZINC000599270797 861018857 /nfs/dbraw/zinc/01/88/57/861018857.db2.gz FKUZSTBDKVMZAJ-NRFANRHFSA-N 1 0 382.479 3.899 20 30 GHEDRO COc1ccc(CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC(C)(C)C)cc1 ZINC000599297319 861037392 /nfs/dbraw/zinc/03/73/92/861037392.db2.gz WKLNHYRRUIWAED-HXUWFJFHSA-N 1 0 388.552 3.657 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000593724285 861044153 /nfs/dbraw/zinc/04/41/53/861044153.db2.gz CNKMXMBATRZAIK-GOSISDBHSA-N 1 0 390.531 3.575 20 30 GHEDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000329137809 861057288 /nfs/dbraw/zinc/05/72/88/861057288.db2.gz HSROYPQNMGEOEA-SJLPKXTDSA-N 1 0 396.535 3.973 20 30 GHEDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000329137810 861057355 /nfs/dbraw/zinc/05/73/55/861057355.db2.gz HSROYPQNMGEOEA-WMZOPIPTSA-N 1 0 396.535 3.973 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](COCc2ccccc2)c2ccccc2)CCOCC1 ZINC000599355846 861097745 /nfs/dbraw/zinc/09/77/45/861097745.db2.gz IJBIAJIOMCDIBH-DHIUTWEWSA-N 1 0 394.515 3.605 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000185656626 861125209 /nfs/dbraw/zinc/12/52/09/861125209.db2.gz UZQPQLIGDIGPDZ-GFCCVEGCSA-N 1 0 393.413 3.613 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000329218331 861154352 /nfs/dbraw/zinc/15/43/52/861154352.db2.gz RPBFBLAQWAGHHS-MJGOQNOKSA-N 1 0 375.488 3.509 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000603756100 861155039 /nfs/dbraw/zinc/15/50/39/861155039.db2.gz AUFIFTKWQVQVBW-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC000623530341 861162451 /nfs/dbraw/zinc/16/24/51/861162451.db2.gz UPGLOKLSROBYCZ-LRDDRELGSA-N 1 0 379.806 3.849 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CCOCC1 ZINC000599419678 861163088 /nfs/dbraw/zinc/16/30/88/861163088.db2.gz SQYFZWYSPLIBGZ-SFHVURJKSA-N 1 0 385.483 3.558 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](O)C12CCCC2 ZINC000330358847 863066975 /nfs/dbraw/zinc/06/69/75/863066975.db2.gz VKIGYTHNHODQJB-SFTDATJTSA-N 1 0 385.552 3.582 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Br)cn2)ccc1OC ZINC000733798331 863190413 /nfs/dbraw/zinc/19/04/13/863190413.db2.gz QBYSFVBSOMXCNB-INIZCTEOSA-N 1 0 390.281 3.823 20 30 GHEDRO CC[C@@H](Cc1ccc2c(c1)OCO2)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001170419934 881641992 /nfs/dbraw/zinc/64/19/92/881641992.db2.gz JJFDODZNOFSKEW-NRFANRHFSA-N 1 0 391.515 3.884 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262368922 863301802 /nfs/dbraw/zinc/30/18/02/863301802.db2.gz IESLLZNECKQVQX-OTWHNJEPSA-N 1 0 382.508 3.519 20 30 GHEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160132555 863341267 /nfs/dbraw/zinc/34/12/67/863341267.db2.gz ADIJSBDPMCVSDT-MJGOQNOKSA-N 1 0 394.494 3.982 20 30 GHEDRO CCCc1c(NC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439708539 863586901 /nfs/dbraw/zinc/58/69/01/863586901.db2.gz YSIKPVCWYRSUKA-IAGOWNOFSA-N 1 0 394.523 3.643 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444172061 863589064 /nfs/dbraw/zinc/58/90/64/863589064.db2.gz ZETYBFNNFLXXFW-OZWNJILTSA-N 1 0 397.563 3.844 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000262406313 863616950 /nfs/dbraw/zinc/61/69/50/863616950.db2.gz ONYPGYZZRVIWFF-CBQOVEMMSA-N 1 0 379.504 3.891 20 30 GHEDRO C=CCNC(=O)[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCCCC1 ZINC000606468594 863650086 /nfs/dbraw/zinc/65/00/86/863650086.db2.gz LOVZSXKRAKQLCF-HNNXBMFYSA-N 1 0 379.342 3.931 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1OCC ZINC000469864025 863656825 /nfs/dbraw/zinc/65/68/25/863656825.db2.gz QYYINUYZEBJTOZ-ZFWWWQNUSA-N 1 0 383.330 3.582 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000444210452 863669473 /nfs/dbraw/zinc/66/94/73/863669473.db2.gz FPBQRVDYSPMWRC-YADHBBJMSA-N 1 0 396.579 3.746 20 30 GHEDRO CN(Cc1c(F)cccc1Cl)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594029884 863788062 /nfs/dbraw/zinc/78/80/62/863788062.db2.gz IQNHQDZYTYMUOP-UHFFFAOYSA-N 1 0 385.870 3.978 20 30 GHEDRO C[C@H]([NH2+]CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000856733047 881698592 /nfs/dbraw/zinc/69/85/92/881698592.db2.gz MDGSIAPRPNMQHC-LAEQJVAUSA-N 1 0 385.508 3.502 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000733907234 863851375 /nfs/dbraw/zinc/85/13/75/863851375.db2.gz MCLNVGPOKNACRU-JXFKEZNVSA-N 1 0 381.524 3.859 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000733907237 863851681 /nfs/dbraw/zinc/85/16/81/863851681.db2.gz MCLNVGPOKNACRU-OXJNMPFZSA-N 1 0 381.524 3.859 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000499251542 881715172 /nfs/dbraw/zinc/71/51/72/881715172.db2.gz XBLMIPIWZIMENC-MRXNPFEDSA-N 1 0 385.895 3.569 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1OCC ZINC000494432861 881717634 /nfs/dbraw/zinc/71/76/34/881717634.db2.gz VBTIIVAGKKYGMX-HOTGVXAUSA-N 1 0 384.314 3.662 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000609205167 881721978 /nfs/dbraw/zinc/72/19/78/881721978.db2.gz XNTWPLNLUIBQLV-UHFFFAOYSA-N 1 0 386.883 3.516 20 30 GHEDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000609660277 864094047 /nfs/dbraw/zinc/09/40/47/864094047.db2.gz TXRRZGQIRZUHDV-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000184287448 864320565 /nfs/dbraw/zinc/32/05/65/864320565.db2.gz MKYIYUFQBAALKE-LLVKDONJSA-N 1 0 393.119 3.637 20 30 GHEDRO CC(C)N(C)c1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cn1 ZINC000480254390 864333691 /nfs/dbraw/zinc/33/36/91/864333691.db2.gz NIVTXFUFONCSNW-UHFFFAOYSA-N 1 0 379.508 3.673 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccncc1 ZINC000734652346 864369611 /nfs/dbraw/zinc/36/96/11/864369611.db2.gz LLXXLSBMKXHJBA-VXKWHMMOSA-N 1 0 394.519 3.844 20 30 GHEDRO C=CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccncc1 ZINC000734659757 864376324 /nfs/dbraw/zinc/37/63/24/864376324.db2.gz GFKHUWKOYMHEGJ-OAQYLSRUSA-N 1 0 382.483 3.802 20 30 GHEDRO C=CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccncc1 ZINC000734678790 864379733 /nfs/dbraw/zinc/37/97/33/864379733.db2.gz IKQJEUUBVIBFPV-JOCHJYFZSA-N 1 0 394.519 3.625 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCSC1 ZINC000480281479 864417646 /nfs/dbraw/zinc/41/76/46/864417646.db2.gz WRWUORKHHOAJSE-QFIPXVFZSA-N 1 0 395.528 3.712 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186332204 864844716 /nfs/dbraw/zinc/84/47/16/864844716.db2.gz YELUTVSTAXHSMI-JOCHJYFZSA-N 1 0 376.504 3.610 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc2c(c1)OCO2 ZINC000063484553 864845259 /nfs/dbraw/zinc/84/52/59/864845259.db2.gz LAEFMHRFMMBNPZ-UHFFFAOYSA-N 1 0 397.500 3.688 20 30 GHEDRO C[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000101771409 865070970 /nfs/dbraw/zinc/07/09/70/865070970.db2.gz ZBDUREDMBYYPRG-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480704452 865119520 /nfs/dbraw/zinc/11/95/20/865119520.db2.gz QGBURPHZVGNFOC-PBHICJAKSA-N 1 0 392.341 3.838 20 30 GHEDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCSCc1ccccc1C#N ZINC000554914827 865157128 /nfs/dbraw/zinc/15/71/28/865157128.db2.gz ZDXXWLMEZSVJNY-UHFFFAOYSA-N 1 0 377.517 3.779 20 30 GHEDRO Cc1cc(NC(=O)/C=C\c2ccccc2C#N)ccc1OCC[NH+]1CCCC1 ZINC000736246396 865163899 /nfs/dbraw/zinc/16/38/99/865163899.db2.gz BFTCPKMJZQKHJA-FLIBITNWSA-N 1 0 375.472 3.993 20 30 GHEDRO C=CCn1c([C@@H]2CCCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000622758934 865245072 /nfs/dbraw/zinc/24/50/72/865245072.db2.gz XHIHSYNMOVHWSD-CEXWTWQISA-N 1 0 389.588 3.549 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173964727 865260954 /nfs/dbraw/zinc/26/09/54/865260954.db2.gz YSNYLMBLELINMP-DLBZAZTESA-N 1 0 380.448 3.889 20 30 GHEDRO COc1cccc(-c2noc([C@H](C)[NH2+]CCCOc3cccc(C#N)c3)n2)c1 ZINC000185119021 865320426 /nfs/dbraw/zinc/32/04/26/865320426.db2.gz YSJLUYYDFFXWKD-HNNXBMFYSA-N 1 0 378.432 3.737 20 30 GHEDRO N#CCC1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000899128983 865353375 /nfs/dbraw/zinc/35/33/75/865353375.db2.gz VGRSQMLNTITYEK-BHIFYINESA-N 1 0 380.536 3.622 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000594211451 865386750 /nfs/dbraw/zinc/38/67/50/865386750.db2.gz KPFYCCCFLNZRSE-PGRDOPGGSA-N 1 0 391.515 3.699 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cccc(OC(F)F)c1)[n+]1ccc(C)cc1 ZINC000738000782 865468371 /nfs/dbraw/zinc/46/83/71/865468371.db2.gz ZIQAYVDMUITWFQ-UHFFFAOYSA-O 1 0 377.436 3.871 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)[C@@H]1c1cccs1 ZINC000594230885 865487816 /nfs/dbraw/zinc/48/78/16/865487816.db2.gz MACZFDKOYMXTBW-OXQOHEQNSA-N 1 0 380.517 3.728 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555247331 865783527 /nfs/dbraw/zinc/78/35/27/865783527.db2.gz CQGTZNMEHLCUQO-HXUWFJFHSA-N 1 0 383.515 3.649 20 30 GHEDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740058838 865838805 /nfs/dbraw/zinc/83/88/05/865838805.db2.gz DAHZFCZRCYLOPN-UHFFFAOYSA-N 1 0 382.533 3.770 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000555291215 865855277 /nfs/dbraw/zinc/85/52/77/865855277.db2.gz BYCZMYSURHKOJZ-YADHBBJMSA-N 1 0 382.529 3.784 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNc2cccc(C#N)c2)cc1 ZINC000494561381 881912842 /nfs/dbraw/zinc/91/28/42/881912842.db2.gz NNUINTWBQXMOTH-GOSISDBHSA-N 1 0 376.504 3.661 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000121367434 866032273 /nfs/dbraw/zinc/03/22/73/866032273.db2.gz MKQAEVZRIYAXLY-IBGZPJMESA-N 1 0 392.503 3.909 20 30 GHEDRO C=CCn1c([C@H](C)CC)nnc1N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000508486655 866066423 /nfs/dbraw/zinc/06/64/23/866066423.db2.gz CNSSPJXCZLHOLC-WSTZPKSXSA-N 1 0 399.587 3.621 20 30 GHEDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCCC2)c1 ZINC000237287900 866129987 /nfs/dbraw/zinc/12/99/87/866129987.db2.gz PMJAHMBGVQCYQJ-FDDCHVKYSA-N 1 0 379.504 3.913 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC[N@@H+]2C)cc1 ZINC000741121606 866244314 /nfs/dbraw/zinc/24/43/14/866244314.db2.gz XCRFFTYGLUANJM-ZWDAVXSWSA-N 1 0 394.471 3.570 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000552779030 866249147 /nfs/dbraw/zinc/24/91/47/866249147.db2.gz CXMLUNBEPMKWLB-UHFFFAOYSA-N 1 0 392.341 3.960 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000741165586 866277864 /nfs/dbraw/zinc/27/78/64/866277864.db2.gz OZHQOOJDONJHQO-FONMIVIZSA-N 1 0 395.547 3.947 20 30 GHEDRO C=C(C)[C@H](CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)OCC ZINC000534225746 866337932 /nfs/dbraw/zinc/33/79/32/866337932.db2.gz JOFRFQKCAUBPCZ-ZAAXVRCTSA-N 1 0 382.907 3.959 20 30 GHEDRO COCCOc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000303906385 866398087 /nfs/dbraw/zinc/39/80/87/866398087.db2.gz VZIJPKJRGALIKV-UHFFFAOYSA-N 1 0 383.370 3.537 20 30 GHEDRO N#Cc1cccc(OCCOC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000741326109 866405322 /nfs/dbraw/zinc/40/53/22/866405322.db2.gz JXKFSVWFKSKJKV-LJQANCHMSA-N 1 0 382.435 3.532 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)cc1Cl ZINC000857061664 881976362 /nfs/dbraw/zinc/97/63/62/881976362.db2.gz TWUXXFRWKLAHHH-HXUWFJFHSA-N 1 0 375.900 3.584 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000153493619 866537246 /nfs/dbraw/zinc/53/72/46/866537246.db2.gz NBUGLCOXKVMLBF-JOCHJYFZSA-N 1 0 376.504 3.603 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000909602762 866555056 /nfs/dbraw/zinc/55/50/56/866555056.db2.gz ZOVAHGLKJDHAFE-GOSISDBHSA-N 1 0 388.512 3.582 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000183362960 866642348 /nfs/dbraw/zinc/64/23/48/866642348.db2.gz FFZWUFLOELXTKX-OAQYLSRUSA-N 1 0 376.435 3.751 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000478805673 866677989 /nfs/dbraw/zinc/67/79/89/866677989.db2.gz JPSUUKDEMOFWKQ-UHFFFAOYSA-N 1 0 376.504 3.887 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000111384250 866679892 /nfs/dbraw/zinc/67/98/92/866679892.db2.gz DTVUTQAKYZTMJG-UHFFFAOYSA-N 1 0 389.341 3.969 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000553083536 866779252 /nfs/dbraw/zinc/77/92/52/866779252.db2.gz MMIWDJCHZLVFCE-KRWDZBQOSA-N 1 0 380.492 3.578 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000741780494 866784130 /nfs/dbraw/zinc/78/41/30/866784130.db2.gz ZATGMPSXOUIGFM-SFHVURJKSA-N 1 0 385.508 3.658 20 30 GHEDRO C[NH+](C)Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 ZINC000121468018 866826093 /nfs/dbraw/zinc/82/60/93/866826093.db2.gz VHGJGSJGQNUBKF-UHFFFAOYSA-N 1 0 376.485 3.919 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)CCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000021072077 866928600 /nfs/dbraw/zinc/92/86/00/866928600.db2.gz UODZCGICGGYCKD-JOCHJYFZSA-N 1 0 379.504 3.699 20 30 GHEDRO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCCCC(C)(C)C#N ZINC000444597899 866960691 /nfs/dbraw/zinc/96/06/91/866960691.db2.gz SJACIHQLIVPEPX-GOSISDBHSA-N 1 0 388.508 3.886 20 30 GHEDRO CC(C)[C@H](CNc1c(Br)cc(Cl)cc1C#N)N1CC[NH+](C)CC1 ZINC000553245888 867042243 /nfs/dbraw/zinc/04/22/43/867042243.db2.gz FOXKSULXNJRXET-INIZCTEOSA-N 1 0 399.764 3.658 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1OC ZINC000153829492 867101076 /nfs/dbraw/zinc/10/10/76/867101076.db2.gz NZKRLTCMRVEVNH-FXAWDEMLSA-N 1 0 384.520 3.521 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282085561 867128126 /nfs/dbraw/zinc/12/81/26/867128126.db2.gz OHEXKTMHTGZLFK-APWZRJJASA-N 1 0 387.549 3.958 20 30 GHEDRO C=CC[C@H]1[N@H+](C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CCCC1(C)C ZINC000444773938 867213634 /nfs/dbraw/zinc/21/36/34/867213634.db2.gz GXRHYBPTBPCPSN-WIYYLYMNSA-N 1 0 375.509 3.704 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000742371437 867265292 /nfs/dbraw/zinc/26/52/92/867265292.db2.gz WXDQUJYWESAVIL-QGZVFWFLSA-N 1 0 375.394 3.954 20 30 GHEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000553385200 867334977 /nfs/dbraw/zinc/33/49/77/867334977.db2.gz OVSJJJMSBJSMKS-IEBWSBKVSA-N 1 0 389.293 3.823 20 30 GHEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000190039357 882075573 /nfs/dbraw/zinc/07/55/73/882075573.db2.gz GTRGNURDBACJOT-SQGPQFPESA-N 1 0 389.565 3.984 20 30 GHEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C#N)c(C)c1C ZINC000534753051 867376765 /nfs/dbraw/zinc/37/67/65/867376765.db2.gz ZFHCGSXQOUICOY-TZIWHRDSSA-N 1 0 394.544 3.532 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc(C#N)ccc1F ZINC000742733797 867517115 /nfs/dbraw/zinc/51/71/15/867517115.db2.gz YPBNADWEOFNHSO-QGZVFWFLSA-N 1 0 395.478 3.881 20 30 GHEDRO C=CC[C@@H]1N(C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CCCC1(C)C ZINC000444970285 867540813 /nfs/dbraw/zinc/54/08/13/867540813.db2.gz YPOVAOKQTWFKDG-UFYCRDLUSA-N 1 0 379.589 3.900 20 30 GHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000479312872 867546996 /nfs/dbraw/zinc/54/69/96/867546996.db2.gz MDCGRDHHMSIEBV-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000479375976 867651513 /nfs/dbraw/zinc/65/15/13/867651513.db2.gz DKPJCONRWIWQKW-RBUKOAKNSA-N 1 0 375.561 3.672 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000553586699 867735617 /nfs/dbraw/zinc/73/56/17/867735617.db2.gz UMKHBNJJCUTDHF-SFHVURJKSA-N 1 0 397.441 3.986 20 30 GHEDRO C[N@H+](CCCCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CC1 ZINC000457177193 867806521 /nfs/dbraw/zinc/80/65/21/867806521.db2.gz CAVVWVCRRHOYEP-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000523730599 867859989 /nfs/dbraw/zinc/85/99/89/867859989.db2.gz AJPGYVQEBZHERV-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(-n3ccnc3)c2)c(-c2ccccc2)n1 ZINC000523733165 867867031 /nfs/dbraw/zinc/86/70/31/867867031.db2.gz SBULNXZOGMNUAZ-UHFFFAOYSA-N 1 0 382.471 3.939 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000743193829 867938177 /nfs/dbraw/zinc/93/81/77/867938177.db2.gz FOGRXUIFLYMCOC-UHFFFAOYSA-N 1 0 395.478 3.871 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)CC1 ZINC000155835873 868135313 /nfs/dbraw/zinc/13/53/13/868135313.db2.gz YAJMLASAFXZRLO-INIZCTEOSA-N 1 0 391.384 3.908 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)CC1 ZINC000743495141 868238777 /nfs/dbraw/zinc/23/87/77/868238777.db2.gz RXYZJKOSVPWHFC-UHFFFAOYSA-N 1 0 394.519 3.543 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000479644182 868285296 /nfs/dbraw/zinc/28/52/96/868285296.db2.gz GKAZYLMJYQPFLJ-OALUTQOASA-N 1 0 391.556 3.618 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479729699 868404616 /nfs/dbraw/zinc/40/46/16/868404616.db2.gz QKUYAUQRBADMHW-BGYRXZFFSA-N 1 0 389.588 3.920 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nc3cc(C)ccc3n2C)c1 ZINC000183891834 868576095 /nfs/dbraw/zinc/57/60/95/868576095.db2.gz RLKSGFFHCKLWAL-UHFFFAOYSA-N 1 0 381.480 3.606 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000144027747 868587077 /nfs/dbraw/zinc/58/70/77/868587077.db2.gz SVHONDVRCMBNLP-UHFFFAOYSA-N 1 0 394.494 3.895 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000554014902 868625036 /nfs/dbraw/zinc/62/50/36/868625036.db2.gz KJGDWWNILLQDTL-OAQYLSRUSA-N 1 0 397.544 3.857 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cc(OC)c1O ZINC000535369317 868637832 /nfs/dbraw/zinc/63/78/32/868637832.db2.gz QCPBYAIJUCTYCC-KRWDZBQOSA-N 1 0 381.394 3.971 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000669810121 868648529 /nfs/dbraw/zinc/64/85/29/868648529.db2.gz UERJJDCXJQUGEK-UHFFFAOYSA-N 1 0 381.568 3.806 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](C)Oc2ccc(Br)cc2)ccc1C#N ZINC000440816203 868750846 /nfs/dbraw/zinc/75/08/46/868750846.db2.gz BWINVFBSIYTLCY-CYBMUJFWSA-N 1 0 375.266 3.886 20 30 GHEDRO COc1cc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)ccc1C#N ZINC000440821475 868760861 /nfs/dbraw/zinc/76/08/61/868760861.db2.gz NGVCEYWZQBNSMY-UHFFFAOYSA-N 1 0 385.773 3.803 20 30 GHEDRO CC[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262787459 882230859 /nfs/dbraw/zinc/23/08/59/882230859.db2.gz MVNYGZNKAYKAOW-XKQJLSEDSA-N 1 0 378.586 3.699 20 30 GHEDRO COC(=O)C1(CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000898412040 868834392 /nfs/dbraw/zinc/83/43/92/868834392.db2.gz KDGMDLTXGIXGMS-UHFFFAOYSA-N 1 0 383.536 3.626 20 30 GHEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccsc1 ZINC000524305783 868877699 /nfs/dbraw/zinc/87/76/99/868877699.db2.gz ICNSVEGGNQDLOU-HXUWFJFHSA-N 1 0 379.533 3.918 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000669817811 868944001 /nfs/dbraw/zinc/94/40/01/868944001.db2.gz PVHKENKALHVXJR-OAQYLSRUSA-N 1 0 379.552 3.562 20 30 GHEDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000524457085 869078035 /nfs/dbraw/zinc/07/80/35/869078035.db2.gz HGVRUKJYYJOSMJ-DENIHFKCSA-N 1 0 391.515 3.874 20 30 GHEDRO Cc1ccccc1-c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000121621754 869138186 /nfs/dbraw/zinc/13/81/86/869138186.db2.gz CRTPMLKOLYMYBL-UHFFFAOYSA-N 1 0 387.487 3.625 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000445963774 869205819 /nfs/dbraw/zinc/20/58/19/869205819.db2.gz XBMYFTXJKQFBSN-QFIPXVFZSA-N 1 0 375.516 3.863 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1C#N ZINC000152836728 869315131 /nfs/dbraw/zinc/31/51/31/869315131.db2.gz ZLIPWSDIFBFULI-BGYRXZFFSA-N 1 0 376.504 3.695 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000446063551 869331760 /nfs/dbraw/zinc/33/17/60/869331760.db2.gz RCTCNYHVTKVYNR-UHFFFAOYSA-N 1 0 375.321 3.784 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000524607698 869338203 /nfs/dbraw/zinc/33/82/03/869338203.db2.gz PDAQRKGFLHDZDL-GOSISDBHSA-N 1 0 377.513 3.817 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000609098065 869490217 /nfs/dbraw/zinc/49/02/17/869490217.db2.gz BSYRROJAWXLOKM-VQTJNVASSA-N 1 0 394.544 3.542 20 30 GHEDRO N#Cc1cc2c(n(C[C@@H]3CCC(F)(F)C3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000594928587 869543798 /nfs/dbraw/zinc/54/37/98/869543798.db2.gz OXOOJQKAXWDWTC-QGZVFWFLSA-N 1 0 383.442 3.714 20 30 GHEDRO CC[C@@H](C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000446300438 869673466 /nfs/dbraw/zinc/67/34/66/869673466.db2.gz MXXIAZZJHANTJB-PBHICJAKSA-N 1 0 384.446 3.608 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000524898472 869719134 /nfs/dbraw/zinc/71/91/34/869719134.db2.gz QODSIIINQMYCAE-QGZVFWFLSA-N 1 0 378.476 3.695 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccccc1)c1ccccc1C#N ZINC000745723667 869768539 /nfs/dbraw/zinc/76/85/39/869768539.db2.gz DVPJCCZGPISSEO-HXUWFJFHSA-N 1 0 378.545 3.924 20 30 GHEDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539824570 869831154 /nfs/dbraw/zinc/83/11/54/869831154.db2.gz ICUQPBRQFLSFMM-QFIPXVFZSA-N 1 0 390.483 3.912 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)cc1 ZINC000539849433 869896442 /nfs/dbraw/zinc/89/64/42/869896442.db2.gz FRIINDGCYHZJNB-KRWDZBQOSA-N 1 0 384.442 3.874 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000746056008 869986248 /nfs/dbraw/zinc/98/62/48/869986248.db2.gz ONCGFMCQTUBNQM-UHFFFAOYSA-N 1 0 390.447 3.841 20 30 GHEDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000746137173 870070531 /nfs/dbraw/zinc/07/05/31/870070531.db2.gz ADBPBGXACDRIQV-SFHVURJKSA-N 1 0 378.394 3.839 20 30 GHEDRO N#Cc1ccc(C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000746115332 870072509 /nfs/dbraw/zinc/07/25/09/870072509.db2.gz QTECPJCSRVBWQJ-HXUWFJFHSA-N 1 0 393.450 3.760 20 30 GHEDRO C=C(C)CN(CC)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000121991794 882369345 /nfs/dbraw/zinc/36/93/45/882369345.db2.gz OUSJMMWOGRZBCN-UHFFFAOYSA-N 1 0 394.947 3.842 20 30 GHEDRO [NH2+]=C(NCc1ccnc(OC2CCCCC2)c1)N[C@H]1CCOc2ccccc21 ZINC000262572831 870090278 /nfs/dbraw/zinc/09/02/78/870090278.db2.gz ZJMULMZORWSZJR-IBGZPJMESA-N 1 0 380.492 3.721 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(Cc4ccccc4)CC3)C2)c(F)c1 ZINC000525182614 870123920 /nfs/dbraw/zinc/12/39/20/870123920.db2.gz CCZSOPQFXXLNDD-JOCHJYFZSA-N 1 0 392.522 3.920 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000538712172 870385370 /nfs/dbraw/zinc/38/53/70/870385370.db2.gz KFRMMUAGYPENIG-UHFFFAOYSA-N 1 0 381.501 3.512 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CC=C)[C@@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000538732169 870465173 /nfs/dbraw/zinc/46/51/73/870465173.db2.gz PGYSEXCTCSHEHN-SFHVURJKSA-N 1 0 375.476 3.976 20 30 GHEDRO C=CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732026 870465256 /nfs/dbraw/zinc/46/52/56/870465256.db2.gz GWKBHZQJQAMAHR-SFHVURJKSA-N 1 0 385.475 3.597 20 30 GHEDRO CCCCCCC[C@@H](C)CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000793791082 882413532 /nfs/dbraw/zinc/41/35/32/882413532.db2.gz LULLBNDMCREKFB-LJQANCHMSA-N 1 0 379.589 3.576 20 30 GHEDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000193296334 870528217 /nfs/dbraw/zinc/52/82/17/870528217.db2.gz BARAIQZDHSOHTL-UHFFFAOYSA-N 1 0 380.492 3.750 20 30 GHEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC001192616890 870563766 /nfs/dbraw/zinc/56/37/66/870563766.db2.gz OIYHWPCYKSYGGA-GQWLDOHISA-N 1 0 392.886 3.926 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000540183473 870702404 /nfs/dbraw/zinc/70/24/04/870702404.db2.gz HWRGCHPIWCAWML-AWEZNQCLSA-N 1 0 387.867 3.606 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc1C ZINC000775549738 870704129 /nfs/dbraw/zinc/70/41/29/870704129.db2.gz RDFCFACILCGEQU-NRFANRHFSA-N 1 0 381.524 3.661 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC001192900682 870756995 /nfs/dbraw/zinc/75/69/95/870756995.db2.gz CUDAIEVFEBBNLN-MRXNPFEDSA-N 1 0 390.462 3.981 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001192937513 870797231 /nfs/dbraw/zinc/79/72/31/870797231.db2.gz FIYJGASREAMCQR-OALUTQOASA-N 1 0 395.588 3.794 20 30 GHEDRO CC(C)c1ccc(C[C@H]2CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)cc1 ZINC001193052734 870876467 /nfs/dbraw/zinc/87/64/67/870876467.db2.gz DHKGLTJITXXTCL-JOCHJYFZSA-N 1 0 375.516 3.862 20 30 GHEDRO Cc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)ccc1C#N ZINC000447088643 870973317 /nfs/dbraw/zinc/97/33/17/870973317.db2.gz SKTRBCZLGRWOQV-UHFFFAOYSA-N 1 0 382.407 3.579 20 30 GHEDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(Cl)c(C#N)c3)CC2=O)cc1 ZINC001168913960 871002650 /nfs/dbraw/zinc/00/26/50/871002650.db2.gz CBMKFMSUGLGYRY-GOSISDBHSA-N 1 0 383.879 3.501 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000540327877 871030173 /nfs/dbraw/zinc/03/01/73/871030173.db2.gz GFQGIUMVZPSJFX-SJLPKXTDSA-N 1 0 383.517 3.590 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000540356073 871052404 /nfs/dbraw/zinc/05/24/04/871052404.db2.gz HCWDKBMREFNGGY-UHFFFAOYSA-N 1 0 396.466 3.536 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)CC1 ZINC000475649441 871076374 /nfs/dbraw/zinc/07/63/74/871076374.db2.gz KHPCSGGSGZCRQD-UHFFFAOYSA-N 1 0 384.426 3.576 20 30 GHEDRO CCC1(CC)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCS1 ZINC001169025076 871125995 /nfs/dbraw/zinc/12/59/95/871125995.db2.gz RNWLOVJLFVVXMQ-UHFFFAOYSA-N 1 0 398.494 3.781 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000540395308 871164817 /nfs/dbraw/zinc/16/48/17/871164817.db2.gz QENIRCYRZOBEPR-ZJSXRUAMSA-N 1 0 391.515 3.918 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@H](CO)c3cccc(Cl)c3F)CC2)cc1 ZINC000463246146 871259539 /nfs/dbraw/zinc/25/95/39/871259539.db2.gz HNIOPXSKWQXWHT-HXUWFJFHSA-N 1 0 387.886 3.638 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc(C#N)ccc2F)CC1 ZINC000181626162 871292091 /nfs/dbraw/zinc/29/20/91/871292091.db2.gz ZGAXUAOSRJTFTR-MRXNPFEDSA-N 1 0 384.474 3.829 20 30 GHEDRO CC[N@H+](CCC1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1)CC(C)C ZINC000539099013 871308350 /nfs/dbraw/zinc/30/83/50/871308350.db2.gz SNMPXZJYNUWCNX-JOCHJYFZSA-N 1 0 385.552 3.852 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC001193914893 871391341 /nfs/dbraw/zinc/39/13/41/871391341.db2.gz YTVRDISNMVXFKA-UHFFFAOYSA-N 1 0 397.567 3.548 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000618241514 871439561 /nfs/dbraw/zinc/43/95/61/871439561.db2.gz ZMTVVZLFCDJGIP-QHCPKHFHSA-N 1 0 378.520 3.560 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCN(c3ccccc3Cl)CC2)cc1 ZINC001194124174 871489399 /nfs/dbraw/zinc/48/93/99/871489399.db2.gz MQCQYVAGHOUWCJ-UHFFFAOYSA-N 1 0 381.907 3.862 20 30 GHEDRO COc1ccc(C2([NH2+]CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)cc1 ZINC000539260044 871614957 /nfs/dbraw/zinc/61/49/57/871614957.db2.gz PCHPPMUWXZVYGS-UHFFFAOYSA-N 1 0 377.488 3.838 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000667225034 871629545 /nfs/dbraw/zinc/62/95/45/871629545.db2.gz YWRIDEHXBKQALH-AWEZNQCLSA-N 1 0 382.302 3.572 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2cccc(C#N)c2F)CC1 ZINC000539315391 871675739 /nfs/dbraw/zinc/67/57/39/871675739.db2.gz UZSGXQKUQMNBTI-MRXNPFEDSA-N 1 0 384.474 3.829 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cc2ccccc2CC#N)CC1 ZINC000776971043 882544301 /nfs/dbraw/zinc/54/43/01/882544301.db2.gz YTYHWDZOFJEQLE-UHFFFAOYSA-N 1 0 375.516 3.843 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC000447584889 871885626 /nfs/dbraw/zinc/88/56/26/871885626.db2.gz HHZZZEBFGZJPDY-OAQYLSRUSA-N 1 0 396.922 3.601 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CC3(N4CCSCC4)CCCCC3)CC2)cc1 ZINC000552043839 871923991 /nfs/dbraw/zinc/92/39/91/871923991.db2.gz CUCXGZYFLVJKOC-UHFFFAOYSA-N 1 0 398.620 3.868 20 30 GHEDRO N#Cc1cncc(C[N@H+]2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)c1 ZINC001194782228 871929134 /nfs/dbraw/zinc/92/91/34/871929134.db2.gz PDMRHBLKFPLGAA-IEBWSBKVSA-N 1 0 386.293 3.661 20 30 GHEDRO C=CC[C@H]1[N@H+](C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CCCC1(C)C ZINC001169845395 871936599 /nfs/dbraw/zinc/93/65/99/871936599.db2.gz UCSGMNHVNIITKI-DLBZAZTESA-N 1 0 392.540 3.606 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618797993 871969125 /nfs/dbraw/zinc/96/91/25/871969125.db2.gz HLHJISYJMZJCLQ-JOCHJYFZSA-N 1 0 376.504 3.885 20 30 GHEDRO COc1cc(C#N)ccc1COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000766900201 872048525 /nfs/dbraw/zinc/04/85/25/872048525.db2.gz JJDBOVCMPPSTIA-GOSISDBHSA-N 1 0 382.435 3.661 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(C)c2)c(C)n1C ZINC000022730717 872107884 /nfs/dbraw/zinc/10/78/84/872107884.db2.gz PAROYBKNWKQCOQ-UHFFFAOYSA-O 1 0 392.548 3.966 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1OC ZINC000093482731 872228882 /nfs/dbraw/zinc/22/88/82/872228882.db2.gz ISUVIJIRJBGHOF-DZGCQCFKSA-N 1 0 384.314 3.758 20 30 GHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000763521412 872236728 /nfs/dbraw/zinc/23/67/28/872236728.db2.gz RFROOWLGYSLEGD-PZRBEPACSA-N 1 0 397.563 3.776 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000767320002 872420670 /nfs/dbraw/zinc/42/06/70/872420670.db2.gz FTEOWEIEBCHLHQ-INIZCTEOSA-N 1 0 381.442 3.855 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](COCC)C2)cc1OC ZINC000093839065 872445837 /nfs/dbraw/zinc/44/58/37/872445837.db2.gz NYXQVRIVURZEDY-AWEZNQCLSA-N 1 0 384.314 3.881 20 30 GHEDRO C#CC[N@@H+](CCCc1nc(C)no1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000763549278 872519983 /nfs/dbraw/zinc/51/99/83/872519983.db2.gz ULMFSGYKCCCLCK-MRXNPFEDSA-N 1 0 390.281 3.532 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H](C)OC2(CCCCC2)C1 ZINC001195650891 872558356 /nfs/dbraw/zinc/55/83/56/872558356.db2.gz RTBPTWFSFUJVCS-KYBDOYODSA-N 1 0 375.557 3.729 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1cccc(CC#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000619482995 872679667 /nfs/dbraw/zinc/67/96/67/872679667.db2.gz CFKBLQCESLZVKF-SFHVURJKSA-N 1 0 399.560 3.941 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000182743558 872726574 /nfs/dbraw/zinc/72/65/74/872726574.db2.gz BNUWVFQVUYMVCL-UHFFFAOYSA-N 1 0 390.959 3.984 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)NC3CC([NH+]4CCCCC4)C3)c2)cc1 ZINC000527267933 872915546 /nfs/dbraw/zinc/91/55/46/872915546.db2.gz OTZFNAFDCRDXEQ-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000152852329 872919920 /nfs/dbraw/zinc/91/99/20/872919920.db2.gz CWABHAZLMOHBDU-HNNXBMFYSA-N 1 0 379.342 3.784 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000767875997 872930261 /nfs/dbraw/zinc/93/02/61/872930261.db2.gz IYICJTCCWGIYPD-SFHVURJKSA-N 1 0 387.405 3.683 20 30 GHEDRO C#CCN(Cc1cn(C)nc1CC)[C@H]1CCOc2ccc(Br)cc21 ZINC000775696241 872950901 /nfs/dbraw/zinc/95/09/01/872950901.db2.gz ZHOQSUOUBCQWTG-SFHVURJKSA-N 1 0 388.309 3.704 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000619756963 872969298 /nfs/dbraw/zinc/96/92/98/872969298.db2.gz FRIUJQHBFUNAPS-IBGZPJMESA-N 1 0 396.922 3.923 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(-c2c(F)cccc2F)n1 ZINC001196311973 873006431 /nfs/dbraw/zinc/00/64/31/873006431.db2.gz RGHUFORXSYRHBU-ZDUSSCGKSA-N 1 0 375.394 3.546 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)c1 ZINC001196321070 873030033 /nfs/dbraw/zinc/03/00/33/873030033.db2.gz UGOISAZAJYKIFG-UHFFFAOYSA-N 1 0 385.467 3.922 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1 ZINC001196320592 873030294 /nfs/dbraw/zinc/03/02/94/873030294.db2.gz PCUAGCHGZIHABR-QGZVFWFLSA-N 1 0 377.488 3.925 20 30 GHEDRO Cc1ccc(F)c(C[NH+]2CCC(NC(=S)Nc3ccccc3C#N)CC2)c1 ZINC001196343994 873044248 /nfs/dbraw/zinc/04/42/48/873044248.db2.gz RJVYMNWLVFKUGO-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cnn1-c1ccc(F)cc1 ZINC000182994682 873071932 /nfs/dbraw/zinc/07/19/32/873071932.db2.gz RYJUMSQFOVNZED-HOTGVXAUSA-N 1 0 397.498 3.702 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(C)nc2Sc2ccccc2)CC1 ZINC000768148884 873093853 /nfs/dbraw/zinc/09/38/53/873093853.db2.gz ANLWFGYEVFOFEJ-UHFFFAOYSA-N 1 0 379.529 3.759 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000153030544 873122099 /nfs/dbraw/zinc/12/20/99/873122099.db2.gz RWWMQGWVVWVXIW-HNNXBMFYSA-N 1 0 394.357 3.796 20 30 GHEDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000619872300 873124289 /nfs/dbraw/zinc/12/42/89/873124289.db2.gz RCSZFZVCMSIHKZ-OAQYLSRUSA-N 1 0 397.563 3.575 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@](C)(CO)C2CCCCC2)ccc1Cl ZINC000470364458 873129715 /nfs/dbraw/zinc/12/97/15/873129715.db2.gz LMKDQAQZOKZFTG-OAQYLSRUSA-N 1 0 391.943 3.816 20 30 GHEDRO N#Cc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001196702207 873311034 /nfs/dbraw/zinc/31/10/34/873311034.db2.gz VELAALCYBHNUCF-UHFFFAOYSA-N 1 0 395.956 3.535 20 30 GHEDRO CC[NH+](CC)CCCNC(=S)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001196705061 873312271 /nfs/dbraw/zinc/31/22/71/873312271.db2.gz FCIWAGNJDJFCCU-UHFFFAOYSA-N 1 0 393.556 3.947 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000023081592 873484139 /nfs/dbraw/zinc/48/41/39/873484139.db2.gz ASGITDRUJHJPOW-NRFANRHFSA-N 1 0 380.488 3.827 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cnc(-c4ccccn4)s3)CCOCC2)cc1 ZINC000527811311 873597156 /nfs/dbraw/zinc/59/71/56/873597156.db2.gz LVVZWBSYVFIBMU-UHFFFAOYSA-N 1 0 376.485 3.872 20 30 GHEDRO N#CCc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000768916448 873684761 /nfs/dbraw/zinc/68/47/61/873684761.db2.gz QRVWIGOVDWXBOK-LJQANCHMSA-N 1 0 383.879 3.506 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(N(CC)Cc3ccccc3)cc2)CC1 ZINC000769023072 873748232 /nfs/dbraw/zinc/74/82/32/873748232.db2.gz YJRHMEJSEWQHBO-UHFFFAOYSA-N 1 0 389.543 3.675 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)cc1 ZINC000769111034 873816932 /nfs/dbraw/zinc/81/69/32/873816932.db2.gz LGABFUQPMKCKQH-UHFFFAOYSA-N 1 0 382.552 3.697 20 30 GHEDRO Cn1cc(C#N)cc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000541550974 873852185 /nfs/dbraw/zinc/85/21/85/873852185.db2.gz XCOCFHFJPGUERV-LJQANCHMSA-N 1 0 386.446 3.520 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000769233272 873909253 /nfs/dbraw/zinc/90/92/53/873909253.db2.gz QIVVHLLRDCMJMY-HXUWFJFHSA-N 1 0 386.540 3.868 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](C(C)(C)O)C3)sc2C1 ZINC001197587284 873927227 /nfs/dbraw/zinc/92/72/27/873927227.db2.gz ATBVVRXXNSTKQH-CABCVRRESA-N 1 0 389.565 3.556 20 30 GHEDRO C=CCc1cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000769335212 873977149 /nfs/dbraw/zinc/97/71/49/873977149.db2.gz USGQWNQRLRUWQD-KRWDZBQOSA-N 1 0 376.497 3.571 20 30 GHEDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(C#N)c1Br ZINC000448811816 873978747 /nfs/dbraw/zinc/97/87/47/873978747.db2.gz MTTDHXZELLTMDF-UHFFFAOYSA-N 1 0 378.314 3.657 20 30 GHEDRO COc1ccccc1C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000541632687 874001665 /nfs/dbraw/zinc/00/16/65/874001665.db2.gz KRKQTKCIORMHLH-IBGZPJMESA-N 1 0 376.460 3.974 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769424677 874045900 /nfs/dbraw/zinc/04/59/00/874045900.db2.gz NXNPMZOXKPNPQR-FXAWDEMLSA-N 1 0 386.540 3.772 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cc(Br)cc(Br)c2N)cc1 ZINC000769491139 874074234 /nfs/dbraw/zinc/07/42/34/874074234.db2.gz YFMHTCYMHAKFDB-UHFFFAOYSA-N 1 0 395.098 3.955 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3ccc(C#N)c(F)c3)CC2)c1C ZINC000192142133 882799803 /nfs/dbraw/zinc/79/98/03/882799803.db2.gz DAWXGQUOJNHHMH-UHFFFAOYSA-N 1 0 396.510 3.814 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000609135370 874217766 /nfs/dbraw/zinc/21/77/66/874217766.db2.gz GNDVCZADPPASHL-OAQYLSRUSA-N 1 0 377.488 3.740 20 30 GHEDRO CCC[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000775823141 874223695 /nfs/dbraw/zinc/22/36/95/874223695.db2.gz UKSODRMHBQHZTQ-QFIPXVFZSA-N 1 0 391.515 3.645 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769829291 874312779 /nfs/dbraw/zinc/31/27/79/874312779.db2.gz MZMPKUOMAVKRMV-INIZCTEOSA-N 1 0 396.453 3.578 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CCc3c(C#N)c(N)sc3C2)C1 ZINC001198414507 874400195 /nfs/dbraw/zinc/40/01/95/874400195.db2.gz UPGQMQWWKPBGKV-CQSZACIVSA-N 1 0 390.553 3.597 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC3(C2)CCOCC3)c1C#N ZINC000464810504 874534970 /nfs/dbraw/zinc/53/49/70/874534970.db2.gz DWOSEAZZQDRFCF-UHFFFAOYSA-N 1 0 398.551 3.923 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc1C ZINC001198624333 874555235 /nfs/dbraw/zinc/55/52/35/874555235.db2.gz YHILHIJLURLEMI-DHIUTWEWSA-N 1 0 396.579 3.745 20 30 GHEDRO CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844943 874620948 /nfs/dbraw/zinc/62/09/48/874620948.db2.gz CJPAOHQSROYVKR-GOSISDBHSA-N 1 0 396.922 3.604 20 30 GHEDRO CC[N@H+](C)[C@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC001198883536 874698553 /nfs/dbraw/zinc/69/85/53/874698553.db2.gz SPWNTBVJCSZPAT-NRFANRHFSA-N 1 0 379.504 3.672 20 30 GHEDRO COCCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000528575714 874730802 /nfs/dbraw/zinc/73/08/02/874730802.db2.gz ZPQIXPHPKRDVDS-UHFFFAOYSA-N 1 0 389.565 3.966 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000770804475 874877015 /nfs/dbraw/zinc/87/70/15/874877015.db2.gz PKVRNZAXOINIPO-ZDUSSCGKSA-N 1 0 384.398 3.554 20 30 GHEDRO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(OCC#N)cc3)o2)cc1 ZINC000775956622 874953759 /nfs/dbraw/zinc/95/37/59/874953759.db2.gz YHJNPVGZDDMQBH-UHFFFAOYSA-N 1 0 376.412 3.925 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000449546611 875012389 /nfs/dbraw/zinc/01/23/89/875012389.db2.gz COJCOJAARZOQKE-MSOLQXFVSA-N 1 0 376.298 3.766 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c(-c2ccccc2)n1 ZINC000449531953 875013534 /nfs/dbraw/zinc/01/35/34/875013534.db2.gz CMPZLJSVWMZFES-YADHBBJMSA-N 1 0 387.487 3.869 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1C#N ZINC000528758528 875020824 /nfs/dbraw/zinc/02/08/24/875020824.db2.gz QEKJWTOICKFZKP-CCFTVXDOSA-N 1 0 386.540 3.822 20 30 GHEDRO Cc1cc(C)c(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c(C)c1 ZINC000528779557 875051112 /nfs/dbraw/zinc/05/11/12/875051112.db2.gz VVEMWKDEKZUFMU-UHFFFAOYSA-N 1 0 377.488 3.718 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000771464744 875296580 /nfs/dbraw/zinc/29/65/80/875296580.db2.gz RHRQCZDMMUDJSI-FQEVSTJZSA-N 1 0 390.531 3.980 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000776093468 875329910 /nfs/dbraw/zinc/32/99/10/875329910.db2.gz PDTYYILRYZGYGX-QUCCMNQESA-N 1 0 377.488 3.873 20 30 GHEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=S)Nc1ccc(C#N)cc1Br)C2 ZINC001201136561 875521120 /nfs/dbraw/zinc/52/11/20/875521120.db2.gz WSDONZWKAIHRHW-ZSOGYDGISA-N 1 0 393.354 3.622 20 30 GHEDRO CCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000609150576 875596432 /nfs/dbraw/zinc/59/64/32/875596432.db2.gz BBNXYDPIYPUXGC-QFIPXVFZSA-N 1 0 391.519 3.712 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000776158933 875648327 /nfs/dbraw/zinc/64/83/27/875648327.db2.gz GKWOYCRJQTZVOJ-LJQANCHMSA-N 1 0 391.515 3.863 20 30 GHEDRO O=C(N1CCCC2(C[NH+](CCCC(F)(F)F)C2)C1)C(F)(F)C(F)(F)Cl ZINC001272468459 875796942 /nfs/dbraw/zinc/79/69/42/875796942.db2.gz MROGVDMWDVPRND-UHFFFAOYSA-N 1 0 398.750 3.720 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001272469005 875817823 /nfs/dbraw/zinc/81/78/23/875817823.db2.gz FRSXUPDVWOUHOH-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO N#C[C@]1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC12CCCC2 ZINC000450019698 875827856 /nfs/dbraw/zinc/82/78/56/875827856.db2.gz CKXHFBRFDCYYFA-UPVQGACJSA-N 1 0 377.532 3.975 20 30 GHEDRO COCc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1C#N ZINC000529214572 875843399 /nfs/dbraw/zinc/84/33/99/875843399.db2.gz VUGWZLJDKKNVAH-UHFFFAOYSA-N 1 0 398.532 3.800 20 30 GHEDRO COc1ccc(C#N)cc1COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000772276300 875867396 /nfs/dbraw/zinc/86/73/96/875867396.db2.gz LVLUCAFGCOXPCS-GOSISDBHSA-N 1 0 382.435 3.661 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000746534640 875874208 /nfs/dbraw/zinc/87/42/08/875874208.db2.gz POSYIADGQQXHOM-KRWDZBQOSA-N 1 0 390.487 3.891 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)c2cccc(C#N)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000450107415 875971699 /nfs/dbraw/zinc/97/16/99/875971699.db2.gz QVKJEJPWVGIOPH-PBHICJAKSA-N 1 0 398.304 3.714 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 ZINC000858272002 882993488 /nfs/dbraw/zinc/99/34/88/882993488.db2.gz AOVLQZOWYUPGOD-ACJLOTCBSA-N 1 0 387.842 3.665 20 30 GHEDRO CC[NH+](CC)[C@H](CNc1nc2c(cc1C#N)COCC2)c1ccccc1Cl ZINC000450216493 876095708 /nfs/dbraw/zinc/09/57/08/876095708.db2.gz QNMUPVJUQZOOHC-HXUWFJFHSA-N 1 0 384.911 3.596 20 30 GHEDRO CC[NH+](CC)[C@@H](CNc1nc2c(cc1C#N)COCC2)c1ccccc1Cl ZINC000450216489 876095997 /nfs/dbraw/zinc/09/59/97/876095997.db2.gz QNMUPVJUQZOOHC-FQEVSTJZSA-N 1 0 384.911 3.596 20 30 GHEDRO CC(C)Oc1ccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccccc2)cc1 ZINC000151934021 876200769 /nfs/dbraw/zinc/20/07/69/876200769.db2.gz WYJRXBIBVCQJTD-UHFFFAOYSA-O 1 0 395.508 3.546 20 30 GHEDRO N#CCOc1ccccc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829660 876255909 /nfs/dbraw/zinc/25/59/09/876255909.db2.gz ZVHIEKLGJBFOFI-UHFFFAOYSA-N 1 0 397.906 3.884 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1ccccc1CC#N ZINC000777020522 883017902 /nfs/dbraw/zinc/01/79/02/883017902.db2.gz ZIRJCCMIUSETPA-RTBURBONSA-N 1 0 375.516 3.568 20 30 GHEDRO N#Cc1cccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000450394367 876350103 /nfs/dbraw/zinc/35/01/03/876350103.db2.gz RERRURRSVUIJTN-PMACEKPBSA-N 1 0 376.460 3.957 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]Cc3nc(C#N)cs3)C(C)(C)[C@H]21 ZINC000858324312 883025987 /nfs/dbraw/zinc/02/59/87/883025987.db2.gz VGBXDHLEHXWWGA-BMFZPTHFSA-N 1 0 376.526 3.528 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786150501 876478749 /nfs/dbraw/zinc/47/87/49/876478749.db2.gz AHCJLARRLKNSEC-OAHLLOKOSA-N 1 0 375.538 3.672 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000529663588 876480618 /nfs/dbraw/zinc/48/06/18/876480618.db2.gz XVXSVJTYHSTQIR-UHFFFAOYSA-N 1 0 397.519 3.983 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492272911 876568359 /nfs/dbraw/zinc/56/83/59/876568359.db2.gz RXBMXLDCDWQHIP-LPHOPBHVSA-N 1 0 378.476 3.599 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cn2)c1 ZINC000609356010 883047503 /nfs/dbraw/zinc/04/75/03/883047503.db2.gz SONYGDSSVUJJOZ-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]([NH+]3CCCCC3)C2)c1C#N ZINC000609355585 883049382 /nfs/dbraw/zinc/04/93/82/883049382.db2.gz TUMCCIIGZHNAKR-FQEVSTJZSA-N 1 0 397.567 3.590 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC000122577206 876735724 /nfs/dbraw/zinc/73/57/24/876735724.db2.gz DQGOHLHMQJOTMW-WZONZLPQSA-N 1 0 391.515 3.940 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001129663511 883068762 /nfs/dbraw/zinc/06/87/62/883068762.db2.gz FTFORKTYTCBEQW-QHCPKHFHSA-N 1 0 391.559 3.892 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)c(F)c1 ZINC000850541957 877010189 /nfs/dbraw/zinc/01/01/89/877010189.db2.gz FNKOBNQAWYAPHF-PBHICJAKSA-N 1 0 389.471 3.516 20 30 GHEDRO C[C@@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)c(F)c1 ZINC000850541958 877010350 /nfs/dbraw/zinc/01/03/50/877010350.db2.gz FNKOBNQAWYAPHF-RHSMWYFYSA-N 1 0 389.471 3.516 20 30 GHEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787010896 877080263 /nfs/dbraw/zinc/08/02/63/877080263.db2.gz RQSMSYICVCEKOL-ZHDHINDASA-N 1 0 378.472 3.831 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)CC1 ZINC000174777219 877242229 /nfs/dbraw/zinc/24/22/29/877242229.db2.gz BCVSQIPKKLJBLF-UHFFFAOYSA-N 1 0 381.520 3.993 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000451064117 877301754 /nfs/dbraw/zinc/30/17/54/877301754.db2.gz NYGDMUOMSPWSII-ROUUACIJSA-N 1 0 391.581 3.524 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)CC(C)(C)CC#N)cc2)C1 ZINC000451070823 877305268 /nfs/dbraw/zinc/30/52/68/877305268.db2.gz YWJARXZYGYSCGP-ROUUACIJSA-N 1 0 391.581 3.524 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)CSc1ccc(C#N)cc1)C1CC1 ZINC000477266137 877315708 /nfs/dbraw/zinc/31/57/08/877315708.db2.gz VBBKWLHSHPAJSU-NRFANRHFSA-N 1 0 379.529 3.677 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492694518 877360976 /nfs/dbraw/zinc/36/09/76/877360976.db2.gz DXHYZPSRIPILSN-HOCLYGCPSA-N 1 0 392.341 3.838 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551553149 877421075 /nfs/dbraw/zinc/42/10/75/877421075.db2.gz VJSHIQRRAHYCCV-FPOVZHCZSA-N 1 0 397.885 3.924 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262703342 877533579 /nfs/dbraw/zinc/53/35/79/877533579.db2.gz ZQFLRNGIQYZQPB-OYSTVDSJSA-N 1 0 379.589 3.586 20 30 GHEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000451249282 877661576 /nfs/dbraw/zinc/66/15/76/877661576.db2.gz BPNSPLQAXLFUDY-FXAWDEMLSA-N 1 0 386.540 3.513 20 30 GHEDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000451251611 877666695 /nfs/dbraw/zinc/66/66/95/877666695.db2.gz GDKAWICOUPZIMJ-RTWAWAEBSA-N 1 0 380.488 3.739 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CCCOc2ccc(C#N)cc2)C1 ZINC000787998625 877766679 /nfs/dbraw/zinc/76/66/79/877766679.db2.gz YSQDNIKOJYEWQS-QFIPXVFZSA-N 1 0 385.508 3.803 20 30 GHEDRO CC(N=Nc1nnc(-c2ccccn2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788029736 877790047 /nfs/dbraw/zinc/79/00/47/877790047.db2.gz HDCWQHRNIIEXIS-QGZVFWFLSA-N 1 0 378.505 3.910 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000451330633 877813606 /nfs/dbraw/zinc/81/36/06/877813606.db2.gz QIPSCAIRNHASEE-UHFFFAOYSA-N 1 0 396.453 3.715 20 30 GHEDRO C#CCC1(C(=O)Nc2cccc(C(=O)NCC[NH+](CC)CC)c2)CCCCC1 ZINC000788167724 877891348 /nfs/dbraw/zinc/89/13/48/877891348.db2.gz RZSCVDWRKKYWAL-UHFFFAOYSA-N 1 0 383.536 3.671 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nc1 ZINC000492970552 877909968 /nfs/dbraw/zinc/90/99/68/877909968.db2.gz CBDNDKPDWDNVSX-OALUTQOASA-N 1 0 392.547 3.509 20 30 GHEDRO Cc1nc(CC(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068122188 877960816 /nfs/dbraw/zinc/96/08/16/877960816.db2.gz ALPBMKKRTLAXSZ-UHFFFAOYSA-N 1 0 384.549 3.726 20 30 GHEDRO NC(C[NH+]1CCCCCC1)=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000111178894 878011004 /nfs/dbraw/zinc/01/10/04/878011004.db2.gz CUBKWFQPRDIRMU-UHFFFAOYSA-N 1 0 398.294 3.708 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1c(C)cccc1C ZINC000130040382 878037077 /nfs/dbraw/zinc/03/70/77/878037077.db2.gz WPAARPJTNPDBSK-UHFFFAOYSA-N 1 0 384.505 3.526 20 30 GHEDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1(C)C ZINC000451495006 878045383 /nfs/dbraw/zinc/04/53/83/878045383.db2.gz SUURLLRQADPEOL-WIBUTAKZSA-N 1 0 375.538 3.813 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000852101561 878075745 /nfs/dbraw/zinc/07/57/45/878075745.db2.gz QQWHIDINBJAHMK-KOSHJBKYSA-N 1 0 391.515 3.850 20 30 GHEDRO Cn1nccc1-c1ccccc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000551990363 878118536 /nfs/dbraw/zinc/11/85/36/878118536.db2.gz FTKCGUNZKFYDSU-IBGZPJMESA-N 1 0 389.478 3.856 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460564069 878195009 /nfs/dbraw/zinc/19/50/09/878195009.db2.gz VRRYJPRWUSIOBG-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460574366 878208151 /nfs/dbraw/zinc/20/81/51/878208151.db2.gz FLGUKGOBFCEUIV-UHFFFAOYSA-N 1 0 389.931 3.715 20 30 GHEDRO O=[N+]([O-])c1cc(C=[NH+]OCc2nnc(-c3ccccc3)o2)ccc1N1CCCC1 ZINC000852309599 878227332 /nfs/dbraw/zinc/22/73/32/878227332.db2.gz COOUYFSZRFVKOS-UHFFFAOYSA-N 1 0 393.403 3.796 20 30 GHEDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000530639345 878249493 /nfs/dbraw/zinc/24/94/93/878249493.db2.gz RNINXXJVLLBEOE-UHFFFAOYSA-N 1 0 395.528 3.504 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000788784397 878342866 /nfs/dbraw/zinc/34/28/66/878342866.db2.gz XNFUXVMYIGONDG-JOCHJYFZSA-N 1 0 394.515 3.752 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1 ZINC000852475084 878358969 /nfs/dbraw/zinc/35/89/69/878358969.db2.gz XXHUVPHGCYKBKK-MSOLQXFVSA-N 1 0 379.426 3.714 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)Cc3ccc(OCC#N)cc3)c2)CC1 ZINC000110682220 878431258 /nfs/dbraw/zinc/43/12/58/878431258.db2.gz OBQCJPCLPQXILU-UHFFFAOYSA-N 1 0 391.515 3.680 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000852591852 878446121 /nfs/dbraw/zinc/44/61/21/878446121.db2.gz ARTGVAYPYRXTRE-RXVVDRJESA-N 1 0 390.487 3.505 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852731983 878563438 /nfs/dbraw/zinc/56/34/38/878563438.db2.gz OVYFNUJFTMCKNK-VHKYSDTDSA-N 1 0 385.895 3.886 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852733449 878564167 /nfs/dbraw/zinc/56/41/67/878564167.db2.gz ZJRDKRXXDIDPBF-PMACEKPBSA-N 1 0 391.943 3.672 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460788367 878564928 /nfs/dbraw/zinc/56/49/28/878564928.db2.gz HHSLZISSMGNOHD-QGZVFWFLSA-N 1 0 387.503 3.665 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)CC1 ZINC000177247716 878618514 /nfs/dbraw/zinc/61/85/14/878618514.db2.gz SRMHAYXNGJRWAY-HNNXBMFYSA-N 1 0 375.488 3.625 20 30 GHEDRO CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530863867 878659414 /nfs/dbraw/zinc/65/94/14/878659414.db2.gz SLLKSGAWHJTCBM-NRFANRHFSA-N 1 0 387.487 3.705 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000451905469 878674738 /nfs/dbraw/zinc/67/47/38/878674738.db2.gz TUQBSADFNVCYNT-UHFFFAOYSA-N 1 0 390.959 3.983 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000597200674 878711088 /nfs/dbraw/zinc/71/10/88/878711088.db2.gz GZOLNDFJGVLKRQ-UHFFFAOYSA-N 1 0 396.926 3.598 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)CC1 ZINC000180262525 878732253 /nfs/dbraw/zinc/73/22/53/878732253.db2.gz LHRNTTDROVFCAD-UHFFFAOYSA-N 1 0 379.331 3.877 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@]2(CCSC2)C1)c1cccc(Cl)c1 ZINC000451965800 878743371 /nfs/dbraw/zinc/74/33/71/878743371.db2.gz NGBPZNBUUUQIDP-IBGZPJMESA-N 1 0 377.941 3.806 20 30 GHEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460954304 878899517 /nfs/dbraw/zinc/89/95/17/878899517.db2.gz VOQWRPYDLYPBGT-GOSISDBHSA-N 1 0 385.581 3.764 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000452076674 878907958 /nfs/dbraw/zinc/90/79/58/878907958.db2.gz ZDZMNPIQQIDTBA-VDZJLULYSA-N 1 0 388.556 3.756 20 30 GHEDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000789368308 878909011 /nfs/dbraw/zinc/90/90/11/878909011.db2.gz ZNORSMVYDPYENS-MRXNPFEDSA-N 1 0 392.459 3.536 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538158706 878932567 /nfs/dbraw/zinc/93/25/67/878932567.db2.gz ZRRAIYANXDGMIN-UHFFFAOYSA-N 1 0 392.503 3.706 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(OCCCC)cc1)[n+]1cccc(C)c1 ZINC000789402139 878947355 /nfs/dbraw/zinc/94/73/55/878947355.db2.gz HRYKKIUIAHSUGT-UHFFFAOYSA-O 1 0 381.521 3.895 20 30 GHEDRO COc1ccc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc1F ZINC000180550321 879025863 /nfs/dbraw/zinc/02/58/63/879025863.db2.gz KELOARGQLVVQIW-UHFFFAOYSA-N 1 0 383.467 3.839 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000538233404 879091760 /nfs/dbraw/zinc/09/17/60/879091760.db2.gz SCOJMZUKVQQRDQ-GOSISDBHSA-N 1 0 394.441 3.694 20 30 GHEDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4ccsc4C#N)CC3)c2c1 ZINC000853530657 879092672 /nfs/dbraw/zinc/09/26/72/879092672.db2.gz CKZWADCYTFUXBS-UHFFFAOYSA-N 1 0 379.485 3.809 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1ccccc1 ZINC000068865997 879105032 /nfs/dbraw/zinc/10/50/32/879105032.db2.gz NSJCIZLVJAQTHM-CYBMUJFWSA-O 1 0 379.452 3.902 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCCc2cccnc2)[n+]2ccccc2)cc1 ZINC000068866374 879112811 /nfs/dbraw/zinc/11/28/11/879112811.db2.gz RFKSFYKEDNISDC-UHFFFAOYSA-O 1 0 390.532 3.703 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@@H](CCF)C2)c1=S ZINC000853563527 879118703 /nfs/dbraw/zinc/11/87/03/879118703.db2.gz COYLTDJOWCZIMJ-SFHVURJKSA-N 1 0 395.592 3.658 20 30 GHEDRO N#Cc1cccc(CC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000531154559 879215710 /nfs/dbraw/zinc/21/57/10/879215710.db2.gz KSLIVEYKAGRIQE-UHFFFAOYSA-N 1 0 390.487 3.554 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1C ZINC000531137274 879220167 /nfs/dbraw/zinc/22/01/67/879220167.db2.gz NTLQTASKHHXNJQ-RCKXYERXSA-N 1 0 398.551 3.762 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000452341308 879311987 /nfs/dbraw/zinc/31/19/87/879311987.db2.gz CJRFLUJJIZKDOP-FQEVSTJZSA-N 1 0 392.503 3.986 20 30 GHEDRO COc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000246297103 879358977 /nfs/dbraw/zinc/35/89/77/879358977.db2.gz POGNPTIWTQRYNG-OAQYLSRUSA-N 1 0 379.504 3.866 20 30 GHEDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000461204188 879379334 /nfs/dbraw/zinc/37/93/34/879379334.db2.gz QJQGEWADRPFHOB-UHFFFAOYSA-N 1 0 380.492 3.940 20 30 GHEDRO Cc1ccc(C)c([C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccccc2)c1 ZINC000180898293 879466159 /nfs/dbraw/zinc/46/61/59/879466159.db2.gz HENHOSHAZOSCHV-MUBPVYAGSA-N 1 0 375.472 3.509 20 30 GHEDRO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000854062468 879490147 /nfs/dbraw/zinc/49/01/47/879490147.db2.gz QSXJQMOOPZPRED-HSZRJFAPSA-N 1 0 386.499 3.862 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1O ZINC000111907503 879515522 /nfs/dbraw/zinc/51/55/22/879515522.db2.gz XLMMQVHGSIPQHM-UHFFFAOYSA-N 1 0 378.476 3.552 20 30 GHEDRO N#CCOc1ccc(CC(=O)OCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000111947954 879569550 /nfs/dbraw/zinc/56/95/50/879569550.db2.gz CGRZPSWYWAKFCS-UHFFFAOYSA-N 1 0 378.472 3.587 20 30 GHEDRO CCCCCCCCOCc1cccc(N2C(=O)N[C@@H](Cc3c[nH]cn3)C2=O)c1 ZINC000285859809 912473858 /nfs/dbraw/zinc/47/38/58/912473858.db2.gz CMCMQZXUDBUSES-FQEVSTJZSA-N 1 0 398.507 3.954 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)c1ccccc1 ZINC000493919998 879726483 /nfs/dbraw/zinc/72/64/83/879726483.db2.gz LRJAOEKFYYDIAU-QFIPXVFZSA-N 1 0 387.487 3.648 20 30 GHEDRO C=CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H](C)COC ZINC000667113090 879768324 /nfs/dbraw/zinc/76/83/24/879768324.db2.gz CATXKSCMBFPCFW-FPOVZHCZSA-N 1 0 385.552 3.521 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000531438127 879852049 /nfs/dbraw/zinc/85/20/49/879852049.db2.gz FDHPCAIWPTTXFI-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000494121284 879916981 /nfs/dbraw/zinc/91/69/81/879916981.db2.gz XKFBJWGNDUUTRA-UHFFFAOYSA-N 1 0 384.499 3.846 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000494219466 880003586 /nfs/dbraw/zinc/00/35/86/880003586.db2.gz JRGBZRGQWCWYLG-TZIWHRDSSA-N 1 0 383.442 3.828 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247648149 880037370 /nfs/dbraw/zinc/03/73/70/880037370.db2.gz OZVHLWOHAMNSDJ-YCRPNKLZSA-N 1 0 382.533 3.920 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000112655847 880064203 /nfs/dbraw/zinc/06/42/03/880064203.db2.gz OHEAOCKEEKIYOO-OAQYLSRUSA-N 1 0 383.467 3.718 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)cc1 ZINC000531548568 880087794 /nfs/dbraw/zinc/08/77/94/880087794.db2.gz NMZUUYOFFXAJJM-UHFFFAOYSA-N 1 0 379.479 3.801 20 30 GHEDRO C=CCN(CC(=O)NCc1cc(Cl)ccc1OC)Cc1cccc(C#N)c1 ZINC000531642932 880243945 /nfs/dbraw/zinc/24/39/45/880243945.db2.gz ARBHPQLFCKCMPU-UHFFFAOYSA-N 1 0 383.879 3.525 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000855159648 880311418 /nfs/dbraw/zinc/31/14/18/880311418.db2.gz GVTYYSOAILGINW-IBGZPJMESA-N 1 0 378.520 3.816 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1c[nH]c2c1cccc2OC)C(F)(F)F ZINC001183474626 912564121 /nfs/dbraw/zinc/56/41/21/912564121.db2.gz OZBYDDXPYNCCTL-SUMWQHHRSA-N 1 0 395.425 3.589 20 30 GHEDRO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000855304876 880423231 /nfs/dbraw/zinc/42/32/31/880423231.db2.gz OTEJACOZMUCZDH-ZJSXRUAMSA-N 1 0 388.515 3.520 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1=S ZINC000795708667 912590557 /nfs/dbraw/zinc/59/05/57/912590557.db2.gz VUAUGJAQTVLCMT-ICSRJNTNSA-N 1 0 397.592 3.707 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000791818033 880714215 /nfs/dbraw/zinc/71/42/15/880714215.db2.gz LPEOYVKBVBSZLT-UHFFFAOYSA-N 1 0 395.425 3.625 20 30 GHEDRO C=CCSCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185895952 880722958 /nfs/dbraw/zinc/72/29/58/880722958.db2.gz QSPPKLOMZRWUQA-UHFFFAOYSA-N 1 0 380.149 3.803 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000453412356 880877378 /nfs/dbraw/zinc/87/73/78/880877378.db2.gz GMUYRZXFLCLGIS-ICSRJNTNSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453440449 880902411 /nfs/dbraw/zinc/90/24/11/880902411.db2.gz MZBIVCVVRLWQAG-WMZHIEFXSA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453441332 880903356 /nfs/dbraw/zinc/90/33/56/880903356.db2.gz OCGOKPFCTRNWDI-YDHSSHFGSA-N 1 0 395.551 3.589 20 30 GHEDRO C=CCn1c(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453432494 880936222 /nfs/dbraw/zinc/93/62/22/880936222.db2.gz BUPDFECBJUIEEK-QFIPXVFZSA-N 1 0 389.588 3.827 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453456217 880951965 /nfs/dbraw/zinc/95/19/65/880951965.db2.gz YHZIJDXIHCLHSK-QGZVFWFLSA-N 1 0 387.503 3.664 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000453459569 880958426 /nfs/dbraw/zinc/95/84/26/880958426.db2.gz CEECTDRBTCMNOY-ICSRJNTNSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000453467234 880975841 /nfs/dbraw/zinc/97/58/41/880975841.db2.gz QOSDSDNNYBJNEW-FQEVSTJZSA-N 1 0 395.551 3.807 20 30 GHEDRO C[NH+]=C(NCc1nccn1C(F)F)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087226 881097115 /nfs/dbraw/zinc/09/71/15/881097115.db2.gz ALJPKNZKYDUEFE-UHFFFAOYSA-N 1 0 376.238 3.792 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119893054 881203981 /nfs/dbraw/zinc/20/39/81/881203981.db2.gz YDQDKWPYPSFFAH-WMLDXEAASA-N 1 0 375.538 3.813 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+]2CCCC2)o1 ZINC000188785230 881272962 /nfs/dbraw/zinc/27/29/62/881272962.db2.gz IQCANYPCUCBKLD-QGZVFWFLSA-N 1 0 397.479 3.624 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000856476277 881275799 /nfs/dbraw/zinc/27/57/99/881275799.db2.gz STFIAQGECNDMTE-BQYDLMEBSA-N 1 0 384.520 3.511 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609386114 883130481 /nfs/dbraw/zinc/13/04/81/883130481.db2.gz KYTAYJLRQGLGQO-MRXNPFEDSA-N 1 0 388.581 3.680 20 30 GHEDRO C[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000609515224 883281959 /nfs/dbraw/zinc/28/19/59/883281959.db2.gz QNYGAGTVIUSDGQ-IBGZPJMESA-N 1 0 375.516 3.860 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)c3ccc(C(C)(C)C#N)cc3)CCCC2)CC1 ZINC000475761567 883330655 /nfs/dbraw/zinc/33/06/55/883330655.db2.gz WRKTZNXDPRITKW-UHFFFAOYSA-N 1 0 383.536 3.641 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1OCCCC#N ZINC000184733069 883363591 /nfs/dbraw/zinc/36/35/91/883363591.db2.gz NECTUAONODKUBZ-GOSISDBHSA-N 1 0 382.508 3.566 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000609662183 883503779 /nfs/dbraw/zinc/50/37/79/883503779.db2.gz ADAJMVIWACWLBP-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000859237747 883687210 /nfs/dbraw/zinc/68/72/10/883687210.db2.gz WDZYXSOPXUSLPC-CZUORRHYSA-N 1 0 380.366 3.547 20 30 GHEDRO C[C@H](CCCC(F)(F)F)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000494791868 883687939 /nfs/dbraw/zinc/68/79/39/883687939.db2.gz FYBGWTIMUCBWHB-MRXNPFEDSA-N 1 0 396.457 3.897 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1OCCCC#N ZINC000064613894 883753629 /nfs/dbraw/zinc/75/36/29/883753629.db2.gz BVIXLXMFJXQGJF-UHFFFAOYSA-N 1 0 380.492 3.663 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1OCCCC#N ZINC000064613879 883755067 /nfs/dbraw/zinc/75/50/67/883755067.db2.gz ZXHBKKSMDTXMQY-UHFFFAOYSA-N 1 0 390.487 3.912 20 30 GHEDRO Cc1sc(NC(=O)CN2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533929586 883824727 /nfs/dbraw/zinc/82/47/27/883824727.db2.gz GJBQAMJJDCYTLC-MRXNPFEDSA-N 1 0 389.908 3.982 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1Cl ZINC000859588097 883916716 /nfs/dbraw/zinc/91/67/16/883916716.db2.gz SCCPFVISZGLCBF-NRFANRHFSA-N 1 0 383.879 3.524 20 30 GHEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1 ZINC000777117505 884000537 /nfs/dbraw/zinc/00/05/37/884000537.db2.gz ZXFKWZVHQREBHH-WZONZLPQSA-N 1 0 396.579 3.974 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)Cc2cccc(OCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000760407362 884068599 /nfs/dbraw/zinc/06/85/99/884068599.db2.gz SFKOEZGWRPSKNH-DENIHFKCSA-N 1 0 391.515 3.548 20 30 GHEDRO CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000805854923 884150997 /nfs/dbraw/zinc/15/09/97/884150997.db2.gz ABLNOGKUUQYETJ-IBGZPJMESA-N 1 0 393.487 3.888 20 30 GHEDRO COc1cc(CN(C)Cc2cc(C#N)cs2)cc(OC)c1OCC(F)F ZINC000897624601 884186136 /nfs/dbraw/zinc/18/61/36/884186136.db2.gz QYFMUSJNPADADM-UHFFFAOYSA-N 1 0 382.432 3.913 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000026225322 884202455 /nfs/dbraw/zinc/20/24/55/884202455.db2.gz BLVAGVIMSQMSCC-UHFFFAOYSA-N 1 0 389.402 3.629 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897628125 884210239 /nfs/dbraw/zinc/21/02/39/884210239.db2.gz CWMZIQRREVHCFO-ARFHVFGLSA-N 1 0 376.526 3.673 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]Cc3nc(C#N)cs3)CC[C@H]21 ZINC000897629549 884211117 /nfs/dbraw/zinc/21/11/17/884211117.db2.gz LBEZMIOLEWCMJN-IIAWOOMASA-N 1 0 376.526 3.673 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000193272939 884335799 /nfs/dbraw/zinc/33/57/99/884335799.db2.gz OKGXVPOFFZTPFB-UHFFFAOYSA-N 1 0 377.492 3.669 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000556278675 884339427 /nfs/dbraw/zinc/33/94/27/884339427.db2.gz RPJOXYPTOJQMDW-PGRDOPGGSA-N 1 0 390.531 3.749 20 30 GHEDRO N#Cc1cccc(NCC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000494995360 884344568 /nfs/dbraw/zinc/34/45/68/884344568.db2.gz JKTDTUVMHOVUTD-UHFFFAOYSA-N 1 0 376.504 3.663 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000476295713 884388559 /nfs/dbraw/zinc/38/85/59/884388559.db2.gz MUZIGOPKPFXNRX-YADHBBJMSA-N 1 0 381.516 3.871 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000806169554 884389898 /nfs/dbraw/zinc/38/98/98/884389898.db2.gz NKUYGFCWWXUQLU-NVXWUHKLSA-N 1 0 382.426 3.683 20 30 GHEDRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001170500563 884394189 /nfs/dbraw/zinc/39/41/89/884394189.db2.gz JAOYLVGZDFXNJO-INIZCTEOSA-N 1 0 382.895 3.751 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccs1 ZINC000102749657 884401145 /nfs/dbraw/zinc/40/11/45/884401145.db2.gz XXBCXRISJQZFPD-SFHVURJKSA-N 1 0 395.484 3.824 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000806155232 884413013 /nfs/dbraw/zinc/41/30/13/884413013.db2.gz NNPPMYVZMOSTFC-JOCHJYFZSA-N 1 0 390.531 3.585 20 30 GHEDRO O=C(NC1=CC(=O)CCC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183794639 912824483 /nfs/dbraw/zinc/82/44/83/912824483.db2.gz OWUXSSFIQYFUFP-PKTZIBPZSA-N 1 0 392.474 3.794 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C\c1ccc(Br)o1)C(C)C ZINC000914687833 884511699 /nfs/dbraw/zinc/51/16/99/884511699.db2.gz DECYMFDHGHRYMG-SIJIIQCFSA-N 1 0 381.314 3.870 20 30 GHEDRO N#Cc1c(F)cccc1C[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000898161594 884621168 /nfs/dbraw/zinc/62/11/68/884621168.db2.gz IKDOUVIVABALGK-UHFFFAOYSA-N 1 0 378.369 3.812 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C(C)C ZINC000806416157 884653295 /nfs/dbraw/zinc/65/32/95/884653295.db2.gz MNCWUFXZRAXDPN-NUJGCVRESA-N 1 0 388.383 3.910 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-n4cccn4)cc3)C2)c(F)c1 ZINC000237715035 884804912 /nfs/dbraw/zinc/80/49/12/884804912.db2.gz QJHIMGZUJKEOMA-IBGZPJMESA-N 1 0 375.451 3.642 20 30 GHEDRO C[NH+](C)C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000806595984 884838968 /nfs/dbraw/zinc/83/89/68/884838968.db2.gz ZGIYPJHKCMGMMJ-KRWDZBQOSA-N 1 0 376.888 3.940 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806619918 884862264 /nfs/dbraw/zinc/86/22/64/884862264.db2.gz KMLKRJCLJPUVTG-HSZRJFAPSA-N 1 0 375.516 3.744 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H]1C ZINC000498570830 884896270 /nfs/dbraw/zinc/89/62/70/884896270.db2.gz GZLSTFPMLHEZIQ-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCOc2ccccc2Br)CC1 ZINC000106036123 884935827 /nfs/dbraw/zinc/93/58/27/884935827.db2.gz FJHIDILHZNVDKY-UHFFFAOYSA-N 1 0 395.341 3.765 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C2CCOCC2)sc2c1CCCC2 ZINC000537525906 884995436 /nfs/dbraw/zinc/99/54/36/884995436.db2.gz JCMLEGCPTUMREX-SFHVURJKSA-N 1 0 387.549 3.718 20 30 GHEDRO CC(C)(C)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000761945879 885023157 /nfs/dbraw/zinc/02/31/57/885023157.db2.gz IRSDUBVDULQSKA-UHFFFAOYSA-N 1 0 378.451 3.860 20 30 GHEDRO Cc1oc(NC(=O)C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C ZINC000103474954 885023998 /nfs/dbraw/zinc/02/39/98/885023998.db2.gz QNSIRLYVPKLHQZ-UHFFFAOYSA-N 1 0 391.475 3.661 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000106340771 885037847 /nfs/dbraw/zinc/03/78/47/885037847.db2.gz QRWBLZPKTVWYIS-JOCHJYFZSA-N 1 0 378.520 3.643 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000806969256 885124188 /nfs/dbraw/zinc/12/41/88/885124188.db2.gz PEVZKCJKMIKHGG-SFTDATJTSA-N 1 0 389.543 3.988 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1sccc1C#N ZINC000052050572 885127982 /nfs/dbraw/zinc/12/79/82/885127982.db2.gz VPUALVOEYOBIDD-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[NH+](CC)CC1 ZINC000460376501 885154620 /nfs/dbraw/zinc/15/46/20/885154620.db2.gz PFYMQFMZKBHWKQ-UHFFFAOYSA-N 1 0 379.430 3.682 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000110383927 885219684 /nfs/dbraw/zinc/21/96/84/885219684.db2.gz GQHGEOAQBACJPR-AMZGXZFVSA-N 1 0 389.499 3.637 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000191512819 885235553 /nfs/dbraw/zinc/23/55/53/885235553.db2.gz RWMNLWABHURVSZ-UHFFFAOYSA-N 1 0 375.314 3.992 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)CC1 ZINC000171641453 885396879 /nfs/dbraw/zinc/39/68/79/885396879.db2.gz WKCKRXBWAYOWQP-UHFFFAOYSA-N 1 0 392.931 3.592 20 30 GHEDRO CCOC(=O)C1=C(Nc2cccc(/C=N/O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170523012 885398803 /nfs/dbraw/zinc/39/88/03/885398803.db2.gz XCKFXPYDOQVELA-OEAKJJBVSA-N 1 0 379.460 3.630 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000807492676 885489679 /nfs/dbraw/zinc/48/96/79/885489679.db2.gz SZSKEGGPLQRKOJ-HRAATJIYSA-N 1 0 390.487 3.980 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000807492776 885489696 /nfs/dbraw/zinc/48/96/96/885489696.db2.gz SZSKEGGPLQRKOJ-IIBYNOLFSA-N 1 0 390.487 3.980 20 30 GHEDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000067570042 885580088 /nfs/dbraw/zinc/58/00/88/885580088.db2.gz USFSAXORFJGOPF-WIYYLYMNSA-N 1 0 376.504 3.831 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000762222333 885773513 /nfs/dbraw/zinc/77/35/13/885773513.db2.gz JBBHISRRTCGTQC-GHRIWEEISA-N 1 0 384.829 3.890 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(N=Nc1nccnc1C1CCC1)c1ccccc1O2 ZINC000807993664 885915391 /nfs/dbraw/zinc/91/53/91/885915391.db2.gz CEVPMMRBRDYRDS-UHFFFAOYSA-N 1 0 377.492 3.807 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000108782336 885918711 /nfs/dbraw/zinc/91/87/11/885918711.db2.gz KBUDNNKASFHJEP-OAHLLOKOSA-N 1 0 379.435 3.704 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153507851 885953079 /nfs/dbraw/zinc/95/30/79/885953079.db2.gz SRXONUOQYYNUER-KRWDZBQOSA-N 1 0 376.566 3.790 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1Cl ZINC000532577469 886159937 /nfs/dbraw/zinc/15/99/37/886159937.db2.gz DRMGPRFPDZMFJQ-CQSZACIVSA-N 1 0 389.805 3.584 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000112639099 886266568 /nfs/dbraw/zinc/26/65/68/886266568.db2.gz PRXHFGDHECXJMT-JOCHJYFZSA-N 1 0 397.469 3.643 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(C)c1OC ZINC000808403578 886331095 /nfs/dbraw/zinc/33/10/95/886331095.db2.gz QXNSPIQOENJCIM-UHFFFAOYSA-N 1 0 376.460 3.574 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000287034314 913045709 /nfs/dbraw/zinc/04/57/09/913045709.db2.gz OJCJWJIGFLGHBH-OAQYLSRUSA-N 1 0 396.491 3.801 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H]1[NH+](C)C ZINC000495713538 886490413 /nfs/dbraw/zinc/49/04/13/886490413.db2.gz QUDUQQCUPUEBEK-RTWAWAEBSA-N 1 0 395.528 3.663 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H]1[NH+](C)C ZINC000495711186 886501154 /nfs/dbraw/zinc/50/11/54/886501154.db2.gz DCAKUKOVPQBHSU-UYAOXDASSA-N 1 0 399.491 3.607 20 30 GHEDRO CC(C)OCc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000499052717 886507613 /nfs/dbraw/zinc/50/76/13/886507613.db2.gz KHRNULKVRGPXKB-UHFFFAOYSA-N 1 0 379.504 3.687 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cc(O)cc(Cl)c3)CC2)C1=O ZINC001275294760 913051776 /nfs/dbraw/zinc/05/17/76/913051776.db2.gz QVGGTQRFXYTWFM-FQEVSTJZSA-N 1 0 375.900 3.554 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccco1 ZINC000556892457 886521748 /nfs/dbraw/zinc/52/17/48/886521748.db2.gz NIELYJCIRIAXAY-QGZVFWFLSA-N 1 0 378.469 3.756 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](Cc2nn3c(nc(C)cc3=O)s2)C(C)(C)C)cc1 ZINC000131804422 886556696 /nfs/dbraw/zinc/55/66/96/886556696.db2.gz FWRUFOLLODMSKP-UHFFFAOYSA-N 1 0 398.532 3.825 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1OC ZINC000556909783 886634283 /nfs/dbraw/zinc/63/42/83/886634283.db2.gz LNPOMYKEMFKXBO-KRWDZBQOSA-N 1 0 396.325 3.902 20 30 GHEDRO COCO[C@H](C)c1cc(F)c(C=NNc2cc[nH+]c(C)c2)cc1Br ZINC000863160615 886897479 /nfs/dbraw/zinc/89/74/79/886897479.db2.gz LVHYGSZZLZTFNR-GFCCVEGCSA-N 1 0 396.260 3.841 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)ccc1OC ZINC000237291851 886929182 /nfs/dbraw/zinc/92/91/82/886929182.db2.gz QNNMYIIPNWZRSN-HNNXBMFYSA-N 1 0 382.460 3.832 20 30 GHEDRO C[C@@H](Nc1ccc(C#Cc2ccc(Br)cc2)cc1)[C@H]1C[NH2+]CCO1 ZINC001170567100 886993591 /nfs/dbraw/zinc/99/35/91/886993591.db2.gz JAEQAQYJKXPHHP-FOIQADDNSA-N 1 0 385.305 3.638 20 30 GHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000670215314 887217984 /nfs/dbraw/zinc/21/79/84/887217984.db2.gz LJHOWBQYZWFWSH-UHFFFAOYSA-N 1 0 381.568 3.996 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc(-c2ccccn2)nc1C)C(C)C ZINC000495964563 887310283 /nfs/dbraw/zinc/31/02/83/887310283.db2.gz CRVCMRQADVFGNM-GOSISDBHSA-N 1 0 384.549 3.942 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(OC)ccc1Br)C(C)C ZINC000496013784 887384968 /nfs/dbraw/zinc/38/49/68/887384968.db2.gz JPMKPADTPWUISK-GOSISDBHSA-N 1 0 395.341 3.886 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(O)c(OCC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000459333528 887450263 /nfs/dbraw/zinc/45/02/63/887450263.db2.gz JAKHBLFNQGZEPH-INIZCTEOSA-N 1 0 379.464 3.516 20 30 GHEDRO C#C[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000809683511 887702735 /nfs/dbraw/zinc/70/27/35/887702735.db2.gz DMDXPQGINCSUHB-GOSISDBHSA-N 1 0 387.483 3.871 20 30 GHEDRO C[C@@H]1C[C@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120230706 887996238 /nfs/dbraw/zinc/99/62/38/887996238.db2.gz BMJDDQHZTUBWRP-GCJKJVERSA-N 1 0 390.531 3.594 20 30 GHEDRO CCOc1ccc(C=NOC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000809991493 888046085 /nfs/dbraw/zinc/04/60/85/888046085.db2.gz KRWIWTXADAWXMN-OAQYLSRUSA-N 1 0 398.503 3.736 20 30 GHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc21 ZINC000153353741 888090831 /nfs/dbraw/zinc/09/08/31/888090831.db2.gz AKQFWUXZRYAADA-UHFFFAOYSA-N 1 0 392.528 3.946 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)CCc2ccc(Br)cc21 ZINC000794813643 888185649 /nfs/dbraw/zinc/18/56/49/888185649.db2.gz BYWQAWTUFCYYBN-DYVFJYSZSA-N 1 0 386.355 3.653 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454268028 888227993 /nfs/dbraw/zinc/22/79/93/888227993.db2.gz PKJFCMVPYVLBSB-QGZVFWFLSA-N 1 0 394.494 3.929 20 30 GHEDRO CN(c1ccccc1CN=Nc1c(F)c(F)nc(F)c1F)C1CC[NH+](C)CC1 ZINC000915948207 888569023 /nfs/dbraw/zinc/56/90/23/888569023.db2.gz GHKFQGYYJFCZTF-UHFFFAOYSA-N 1 0 395.404 3.614 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)ccc1OCc1ccncc1 ZINC000865849431 888609632 /nfs/dbraw/zinc/60/96/32/888609632.db2.gz UVSIOJKATALKGW-JOCHJYFZSA-N 1 0 385.467 3.798 20 30 GHEDRO C[NH+](C)CCCC1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000123328568 888696316 /nfs/dbraw/zinc/69/63/16/888696316.db2.gz YDAOKAYNHNBDJT-UHFFFAOYSA-N 1 0 390.959 3.640 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(C#N)c[nH]c3c2)[C@H]1c1cccs1 ZINC000866058147 888713504 /nfs/dbraw/zinc/71/35/04/888713504.db2.gz UXDKXQCDJZFXEA-YWZLYKJASA-N 1 0 378.501 3.914 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccnc2OC(F)F)no1 ZINC001211976039 888783907 /nfs/dbraw/zinc/78/39/07/888783907.db2.gz XRUROGVRNMKLDD-ZFWWWQNUSA-N 1 0 396.438 3.811 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000916307139 888911152 /nfs/dbraw/zinc/91/11/52/888911152.db2.gz SQRLEBAWIMOEQA-UHFFFAOYSA-N 1 0 384.524 3.678 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC([C@H](O)c2ccccc2)CC1)C(C)C ZINC000916521832 889081158 /nfs/dbraw/zinc/08/11/58/889081158.db2.gz PYZVCHQXWOTXQL-XZOQPEGZSA-N 1 0 399.579 3.840 20 30 GHEDRO N#Cc1c[nH]c2cc(C(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)ccc12 ZINC000867940859 889231772 /nfs/dbraw/zinc/23/17/72/889231772.db2.gz RIHDBUNHODRTNZ-UHFFFAOYSA-N 1 0 390.409 3.575 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868119396 889304354 /nfs/dbraw/zinc/30/43/54/889304354.db2.gz PUQGSHZWCAWHSY-YADHBBJMSA-N 1 0 390.487 3.804 20 30 GHEDRO C[C@@H](NC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000868323803 889398536 /nfs/dbraw/zinc/39/85/36/889398536.db2.gz CHMCZQSVJYWDKH-GOSISDBHSA-N 1 0 388.515 3.808 20 30 GHEDRO N#CCc1ccsc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000868503038 889476195 /nfs/dbraw/zinc/47/61/95/889476195.db2.gz QTMOXHXRWBLFOG-UHFFFAOYSA-N 1 0 379.529 3.942 20 30 GHEDRO N#Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1F ZINC000454655474 889476702 /nfs/dbraw/zinc/47/67/02/889476702.db2.gz OTYQHBXXIVUSCN-UHFFFAOYSA-N 1 0 398.507 3.610 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC000533067937 889621846 /nfs/dbraw/zinc/62/18/46/889621846.db2.gz KXJPQGRTVZGTBX-UHFFFAOYSA-N 1 0 381.451 3.750 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@]2(COC)OCCc3ccccc32)c(O)c1 ZINC000811624694 889793733 /nfs/dbraw/zinc/79/37/33/889793733.db2.gz NLIZBZKBMDTXJY-AUAXKSBWSA-N 1 0 382.504 3.772 20 30 GHEDRO C=CCCCCC[N@H+]1CC[C@@]2(C1)CN(C[C@H](C)CC(F)(F)F)C(=O)CO2 ZINC001275329096 913391770 /nfs/dbraw/zinc/39/17/70/913391770.db2.gz MAJKJJMJCHPGLN-SJLPKXTDSA-N 1 0 376.463 3.625 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533178637 889915071 /nfs/dbraw/zinc/91/50/71/889915071.db2.gz WJILQCSOTDLFFN-PKOBYXMFSA-N 1 0 375.806 3.551 20 30 GHEDRO C=CCC(C)(C)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454996927 890109161 /nfs/dbraw/zinc/10/91/61/890109161.db2.gz KWJLQLZNYDVCKC-NRFANRHFSA-N 1 0 399.579 3.817 20 30 GHEDRO C/C=C(\NC=[NH2+])NCc1ccc(-c2cccc(Oc3ccnc(C#N)n3)c2)cc1 ZINC001170649377 890125272 /nfs/dbraw/zinc/12/52/72/890125272.db2.gz NAEDLKAQHPXDPL-HPXVKFQKSA-N 1 0 384.443 3.955 20 30 GHEDRO CCC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000795111939 890336684 /nfs/dbraw/zinc/33/66/84/890336684.db2.gz LUKJKLDVAZIIOA-UHFFFAOYSA-N 1 0 380.448 3.627 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)cc1 ZINC000533366967 890351716 /nfs/dbraw/zinc/35/17/16/890351716.db2.gz BVROECOCKHYHQZ-HXUWFJFHSA-N 1 0 392.503 3.779 20 30 GHEDRO COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000916894854 890383893 /nfs/dbraw/zinc/38/38/93/890383893.db2.gz VNTGXUSXFQVDCR-NRFANRHFSA-N 1 0 391.471 3.642 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCCC3(F)F)CC2)cc1 ZINC000455170638 890419130 /nfs/dbraw/zinc/41/91/30/890419130.db2.gz OIRVFXWAFDYFTC-IBGZPJMESA-N 1 0 390.478 3.601 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533408956 890478822 /nfs/dbraw/zinc/47/88/22/890478822.db2.gz NUYZHQANMDPDGY-HNNXBMFYSA-N 1 0 376.932 3.591 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533430102 890543965 /nfs/dbraw/zinc/54/39/65/890543965.db2.gz JCUMPKSXXNDBAD-ZTFGCOKTSA-N 1 0 375.538 3.701 20 30 GHEDRO C=CCOc1ccc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1OC ZINC000533600504 890941542 /nfs/dbraw/zinc/94/15/42/890941542.db2.gz RWPIJFZXXLSOJU-UHFFFAOYSA-N 1 0 382.504 3.900 20 30 GHEDRO COC(=O)c1ccccc1CC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000812845297 891034434 /nfs/dbraw/zinc/03/44/34/891034434.db2.gz ARQFABLMOLRJQH-UHFFFAOYSA-N 1 0 378.472 3.830 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000872222601 891213288 /nfs/dbraw/zinc/21/32/88/891213288.db2.gz YAWZIZFCCZMTIH-HXUWFJFHSA-N 1 0 389.421 3.869 20 30 GHEDRO CSc1nnc(SC)n1[NH+]=C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000872418316 891258535 /nfs/dbraw/zinc/25/85/35/891258535.db2.gz KGQZYUMJAWOTNT-MRXNPFEDSA-N 1 0 385.559 3.593 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1cccnc1C#N ZINC000813164173 891323407 /nfs/dbraw/zinc/32/34/07/891323407.db2.gz HZPXFTXYAKXKDJ-KRWDZBQOSA-N 1 0 379.460 3.563 20 30 GHEDRO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cncc(Br)c3)C2)C1=O ZINC001275357878 913545779 /nfs/dbraw/zinc/54/57/79/913545779.db2.gz VLRIQXFDWMMAGA-FQEVSTJZSA-N 1 0 398.304 3.520 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)COc3cccc(C#N)c3)cc2)C1 ZINC000917154595 891528492 /nfs/dbraw/zinc/52/84/92/891528492.db2.gz NFIAMKLRYQQJNJ-KDURUIRLSA-N 1 0 391.515 3.731 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)N1CCN(c2ccccc2)CC1 ZINC000237376301 891568786 /nfs/dbraw/zinc/56/87/86/891568786.db2.gz WLLFHXLIOVNRBZ-NRFANRHFSA-N 1 0 392.547 3.669 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000497448801 891611375 /nfs/dbraw/zinc/61/13/75/891611375.db2.gz RCRMSCBHJSGXNA-SFHVURJKSA-N 1 0 399.535 3.989 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)cn2)c1 ZINC000615012085 891744791 /nfs/dbraw/zinc/74/47/91/891744791.db2.gz YHPSOKQFVVDNPQ-UHFFFAOYSA-N 1 0 389.459 3.614 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000813786367 891971434 /nfs/dbraw/zinc/97/14/34/891971434.db2.gz JFDPWCOBKVZPNP-HXUWFJFHSA-N 1 0 398.551 3.916 20 30 GHEDRO CC[N@H+](CC(=O)NCc1cc(Cl)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000497599527 891978801 /nfs/dbraw/zinc/97/88/01/891978801.db2.gz FMFCLGDPTNGYPE-OAHLLOKOSA-N 1 0 385.895 3.920 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813792850 891984639 /nfs/dbraw/zinc/98/46/39/891984639.db2.gz XOAGHZNVBLXZIB-KPZWWZAWSA-N 1 0 393.256 3.702 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@H]([NH2+]C)C2)cc1OCC ZINC000262023674 892200006 /nfs/dbraw/zinc/20/00/06/892200006.db2.gz NJKBOKQHNCYXSF-HNNXBMFYSA-N 1 0 383.330 3.596 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000729809138 892222181 /nfs/dbraw/zinc/22/21/81/892222181.db2.gz IOMXJXXAJCRVKG-SFHVURJKSA-N 1 0 386.542 3.998 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)C(F)F ZINC000455588488 892327443 /nfs/dbraw/zinc/32/74/43/892327443.db2.gz GYSONFUIFGTNRQ-LJQANCHMSA-N 1 0 386.446 3.638 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000154518855 892525475 /nfs/dbraw/zinc/52/54/75/892525475.db2.gz HRTQYUSYOXOLJD-QGZVFWFLSA-O 1 0 384.569 3.984 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000917837353 892635335 /nfs/dbraw/zinc/63/53/35/892635335.db2.gz ONQAOLLPMPEFNR-MRXNPFEDSA-N 1 0 384.549 3.526 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1C(F)(F)F ZINC000497909789 892711715 /nfs/dbraw/zinc/71/17/15/892711715.db2.gz YBSLXAFIQPXLOD-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO C#CCC[NH+]1CCN(Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)CC1 ZINC000272061439 892887875 /nfs/dbraw/zinc/88/78/75/892887875.db2.gz WQUJWYMSVIXLGH-UHFFFAOYSA-N 1 0 396.560 3.585 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000876018782 892910176 /nfs/dbraw/zinc/91/01/76/892910176.db2.gz CZGNDLPXXKJWKE-UHFFFAOYSA-N 1 0 383.496 3.692 20 30 GHEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000129198220 893154974 /nfs/dbraw/zinc/15/49/74/893154974.db2.gz ZEEOOVONZCPKNB-CRAIPNDOSA-N 1 0 392.425 3.744 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)[NH+]2CCCC2)cc1 ZINC000455759899 893190865 /nfs/dbraw/zinc/19/08/65/893190865.db2.gz SRDXMVPPVVPQDH-IBGZPJMESA-N 1 0 399.882 3.574 20 30 GHEDRO CC(N=Nc1ncnc2c1cnn2-c1ccccc1)c1ccc(C[NH+](C)C)cc1 ZINC000814803043 893213861 /nfs/dbraw/zinc/21/38/61/893213861.db2.gz HHRJYSQKOOPVMR-UHFFFAOYSA-N 1 0 385.475 3.713 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933871678 893273391 /nfs/dbraw/zinc/27/33/91/893273391.db2.gz JFBOGUSNPQJMOV-LPHOPBHVSA-N 1 0 387.549 3.958 20 30 GHEDRO N#CCc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000563036269 893306205 /nfs/dbraw/zinc/30/62/05/893306205.db2.gz WPVWTALERXLECX-UHFFFAOYSA-N 1 0 376.504 3.738 20 30 GHEDRO Cc1cc([C@@H]([NH3+])CC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc(Cl)n1 ZINC000876986536 893421499 /nfs/dbraw/zinc/42/14/99/893421499.db2.gz HORSCJVYVSOBKE-IBGZPJMESA-N 1 0 384.911 3.990 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000877033878 893448900 /nfs/dbraw/zinc/44/89/00/893448900.db2.gz QNPNLEDFFDURSH-LPHOPBHVSA-N 1 0 391.943 3.699 20 30 GHEDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877077728 893470607 /nfs/dbraw/zinc/47/06/07/893470607.db2.gz SBDNGISDFVFGKZ-UHFFFAOYSA-N 1 0 393.274 3.696 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC001137117024 893505457 /nfs/dbraw/zinc/50/54/57/893505457.db2.gz ZFCOOGBTMQNHDK-OAQYLSRUSA-N 1 0 398.457 3.722 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)cc1 ZINC001137118514 893557750 /nfs/dbraw/zinc/55/77/50/893557750.db2.gz ZYBQUSBHIKMDCG-XZOQPEGZSA-N 1 0 384.520 3.919 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000877498751 893647321 /nfs/dbraw/zinc/64/73/21/893647321.db2.gz UZNOFAPCMRKFRQ-LJQANCHMSA-N 1 0 398.551 3.976 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[N@@H+]1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000877540422 893674463 /nfs/dbraw/zinc/67/44/63/893674463.db2.gz YRVSLFPYOUDHNO-FUHIMQAGSA-N 1 0 379.545 3.568 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000877610770 893717621 /nfs/dbraw/zinc/71/76/21/893717621.db2.gz YLAGUOYLNLYNRZ-FCGDIQPGSA-N 1 0 379.545 3.711 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1F ZINC001185345899 913803482 /nfs/dbraw/zinc/80/34/82/913803482.db2.gz FIIXFJMYQXSXSG-UHFFFAOYSA-N 1 0 384.411 3.692 20 30 GHEDRO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000563591169 893946214 /nfs/dbraw/zinc/94/62/14/893946214.db2.gz BVAXWEDWCUQOLA-NRFANRHFSA-N 1 0 387.487 3.706 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)CC1 ZINC000536861513 893957042 /nfs/dbraw/zinc/95/70/42/893957042.db2.gz CQVPPWQLGLQTQU-UHFFFAOYSA-N 1 0 393.453 3.924 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000563626346 893989068 /nfs/dbraw/zinc/98/90/68/893989068.db2.gz XUUVNSWIUFVBKU-QGZVFWFLSA-N 1 0 393.457 3.527 20 30 GHEDRO N#CC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000934892093 894012092 /nfs/dbraw/zinc/01/20/92/894012092.db2.gz WURUNSRRIIHGOZ-PMACEKPBSA-N 1 0 383.561 3.536 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459673363 894044952 /nfs/dbraw/zinc/04/49/52/894044952.db2.gz YKVKWHFRWMYKPS-QGZVFWFLSA-N 1 0 395.425 3.568 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1)c1ccccc1 ZINC000878220009 894102799 /nfs/dbraw/zinc/10/27/99/894102799.db2.gz WKLQUUCHEWCYSH-DEOSSOPVSA-N 1 0 395.547 3.588 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21)c1ccccc1 ZINC000878304766 894180204 /nfs/dbraw/zinc/18/02/04/894180204.db2.gz PZOPPUDSHBBURA-URXFXBBRSA-N 1 0 386.499 3.941 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000563782706 894188165 /nfs/dbraw/zinc/18/81/65/894188165.db2.gz ILMGGWDZBCJOBB-UTKZUKDTSA-N 1 0 392.551 3.703 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000537076777 894298581 /nfs/dbraw/zinc/29/85/81/894298581.db2.gz QAEDJRMPQVPHBC-HTAPYJJXSA-N 1 0 397.494 3.716 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(CO)(Cc2ccccc2)CC1)c1ccccc1 ZINC000878518670 894355382 /nfs/dbraw/zinc/35/53/82/894355382.db2.gz OMRWGEUHZZSHCJ-VWLOTQADSA-N 1 0 390.527 3.744 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)c1ccccc1 ZINC000878567196 894390737 /nfs/dbraw/zinc/39/07/37/894390737.db2.gz DUGUIPLMGIMLBS-DEOSSOPVSA-N 1 0 399.498 3.672 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000460011162 894511764 /nfs/dbraw/zinc/51/17/64/894511764.db2.gz PBHGVOSLIRGRPB-ZIAGYGMSSA-N 1 0 384.446 3.962 20 30 GHEDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000537256147 894669350 /nfs/dbraw/zinc/66/93/50/894669350.db2.gz ZAISUCGOPKPEQN-UHFFFAOYSA-N 1 0 380.423 3.873 20 30 GHEDRO C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2OCC#N)(c2ccccc2)CC1 ZINC000878936738 894736050 /nfs/dbraw/zinc/73/60/50/894736050.db2.gz KNPQGPCOCWFFBX-UHFFFAOYSA-N 1 0 396.466 3.513 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1cccc(OCC#N)c1 ZINC000816452765 894848012 /nfs/dbraw/zinc/84/80/12/894848012.db2.gz FUMPIPLTFUZRTO-GCJKJVERSA-N 1 0 378.472 3.585 20 30 GHEDRO C[NH+](C)CCc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428707731 895046159 /nfs/dbraw/zinc/04/61/59/895046159.db2.gz LIJVVXDQDNCWTP-UHFFFAOYSA-N 1 0 387.487 3.820 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897589409 895192479 /nfs/dbraw/zinc/19/24/79/895192479.db2.gz XBKNCNIEOWJCOE-WTOYTKOKSA-N 1 0 376.504 3.606 20 30 GHEDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000564986360 895338806 /nfs/dbraw/zinc/33/88/06/895338806.db2.gz NRDNXFWTADIRSF-QGZVFWFLSA-N 1 0 396.292 3.777 20 30 GHEDRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(CC1(CC#N)CC1)C(C)C ZINC000880215977 895575917 /nfs/dbraw/zinc/57/59/17/895575917.db2.gz LXOROXNKLZMURH-CQSZACIVSA-N 1 0 377.510 3.574 20 30 GHEDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817418270 895594168 /nfs/dbraw/zinc/59/41/68/895594168.db2.gz ISLFSNGYKDIISU-RYRKJORJSA-N 1 0 397.523 3.577 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000880255957 895596479 /nfs/dbraw/zinc/59/64/79/895596479.db2.gz BAFXTUPYEAZGRO-UHFFFAOYSA-N 1 0 379.508 3.839 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000565521317 895698079 /nfs/dbraw/zinc/69/80/79/895698079.db2.gz NPFBEUHWUFIOHC-KOHRHEQBSA-N 1 0 379.426 3.868 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCCOC1 ZINC000880467613 895721206 /nfs/dbraw/zinc/72/12/06/895721206.db2.gz GGGQLFFCAUCVDH-PXNSSMCTSA-N 1 0 386.540 3.825 20 30 GHEDRO C[NH+](C)CCN(Cc1cccs1)c1nccc(Oc2cccc(C#N)c2)n1 ZINC001185693024 914023093 /nfs/dbraw/zinc/02/30/93/914023093.db2.gz JRKGAIWSZVQKOF-UHFFFAOYSA-N 1 0 379.489 3.770 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880925396 896001302 /nfs/dbraw/zinc/00/13/02/896001302.db2.gz SXMZBOYJCCMIOC-QGZVFWFLSA-N 1 0 394.441 3.822 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000565946989 896002905 /nfs/dbraw/zinc/00/29/05/896002905.db2.gz HGVRQBGRNPOSAD-AVRDEDQJSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CCn1cc(C[NH2+][C@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)nn1 ZINC000818348158 896115140 /nfs/dbraw/zinc/11/51/40/896115140.db2.gz ZOXLLPMJRFKBEC-SJLPKXTDSA-N 1 0 377.533 3.512 20 30 GHEDRO Cc1cc(C)c(NC(=O)[C@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000818613732 896218088 /nfs/dbraw/zinc/21/80/88/896218088.db2.gz YYBZNAQODREJNU-IBGZPJMESA-N 1 0 395.503 3.826 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000818609021 896234867 /nfs/dbraw/zinc/23/48/67/896234867.db2.gz GRQXPNHSRONXCT-UHFFFAOYSA-N 1 0 392.528 3.540 20 30 GHEDRO C=C(Br)C[NH2+]C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000818979570 896299772 /nfs/dbraw/zinc/29/97/72/896299772.db2.gz QFBGVSSASNIZMJ-VQTJNVASSA-N 1 0 390.321 3.960 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000566499187 896342176 /nfs/dbraw/zinc/34/21/76/896342176.db2.gz WLZKLDUFZSFWGE-GGAORHGYSA-N 1 0 396.556 3.890 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000819166328 896441580 /nfs/dbraw/zinc/44/15/80/896441580.db2.gz UDPIKEVSGVYXQU-IIBYNOLFSA-N 1 0 395.503 3.967 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000819211470 896502694 /nfs/dbraw/zinc/50/26/94/896502694.db2.gz BTHUOCGZWSSDAJ-BEFAXECRSA-N 1 0 376.287 3.767 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000819309370 896551281 /nfs/dbraw/zinc/55/12/81/896551281.db2.gz QFCQAIRVSCQZKJ-JSGCOSHPSA-N 1 0 388.002 3.780 20 30 GHEDRO C=CC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001136213696 896596654 /nfs/dbraw/zinc/59/66/54/896596654.db2.gz ZAPJAWYHLXBDLE-UHFFFAOYSA-N 1 0 377.532 3.837 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(CC[NH+](C)C)C(C)C)s1 ZINC000819416527 896711302 /nfs/dbraw/zinc/71/13/02/896711302.db2.gz TTWGYJBZRNIPRF-UHFFFAOYSA-N 1 0 375.991 3.637 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C(C)C)C2(CO)CCCC2)cc1C ZINC001170928250 896750097 /nfs/dbraw/zinc/75/00/97/896750097.db2.gz FTRVIZJBQUXCQN-JOCHJYFZSA-N 1 0 385.552 3.717 20 30 GHEDRO [NH2+]=C(NCc1ccc(COC2CCOCC2)cc1)Nc1ccc2c(c1)CCC2 ZINC000130640356 897166542 /nfs/dbraw/zinc/16/65/42/897166542.db2.gz OXKNRXYFCVDJOD-UHFFFAOYSA-N 1 0 379.504 3.798 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000130729132 897202384 /nfs/dbraw/zinc/20/23/84/897202384.db2.gz GZBAWJDZMKHKFU-INIZCTEOSA-N 1 0 381.432 3.929 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000131017723 897295198 /nfs/dbraw/zinc/29/51/98/897295198.db2.gz JHJXOKYEXFRYLS-UHFFFAOYSA-N 1 0 381.867 3.747 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CCCOc1ccccc1C ZINC000131070112 897310431 /nfs/dbraw/zinc/31/04/31/897310431.db2.gz UUZUGIKNGZQVDO-UHFFFAOYSA-N 1 0 375.476 3.792 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000131173856 897348263 /nfs/dbraw/zinc/34/82/63/897348263.db2.gz BYKPUBSNRGTMII-UHFFFAOYSA-N 1 0 387.487 3.935 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000131171837 897348902 /nfs/dbraw/zinc/34/89/02/897348902.db2.gz KXNIJEANCDFWPW-UHFFFAOYSA-N 1 0 391.450 3.765 20 30 GHEDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000567799706 897406873 /nfs/dbraw/zinc/40/68/73/897406873.db2.gz BLHLDSQIXRNMCH-OAQYLSRUSA-N 1 0 382.529 3.907 20 30 GHEDRO COc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000567837363 897434907 /nfs/dbraw/zinc/43/49/07/897434907.db2.gz AVKRFNUODQQHDJ-RTWAWAEBSA-N 1 0 375.472 3.899 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000131425761 897456490 /nfs/dbraw/zinc/45/64/90/897456490.db2.gz RBTILZZAVJGNLM-RBUKOAKNSA-N 1 0 386.540 3.962 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)c2)c1 ZINC000567906302 897481103 /nfs/dbraw/zinc/48/11/03/897481103.db2.gz XOYJFHQZLZCOOA-NRFANRHFSA-N 1 0 385.471 3.614 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000132092532 897665403 /nfs/dbraw/zinc/66/54/03/897665403.db2.gz IHUBIFIJRHGAFB-SFHVURJKSA-N 1 0 398.938 3.543 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)CCC/N=C/c2cccc(OC)c2O)cc1 ZINC000132447145 897790841 /nfs/dbraw/zinc/79/08/41/897790841.db2.gz HYZCVNFSMXSMOW-PFRBSUFTSA-N 1 0 384.476 3.876 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](N=Cc3cc4ccccc4[nH]c3=O)C2)cc(OC)c1 ZINC000132443731 897791199 /nfs/dbraw/zinc/79/11/99/897791199.db2.gz LUCAZYJXLUQPLX-BBMHEYIBSA-N 1 0 391.471 3.651 20 30 GHEDRO CC[NH+]1CCC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)(C(F)(F)F)CC1 ZINC000821654564 898006963 /nfs/dbraw/zinc/00/69/63/898006963.db2.gz MLDQROFWPVCKAV-UHFFFAOYSA-N 1 0 386.311 3.991 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000289526379 914224794 /nfs/dbraw/zinc/22/47/94/914224794.db2.gz HIGBFWAGNRDYAB-LJQANCHMSA-N 1 0 392.425 3.743 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000568903938 898203574 /nfs/dbraw/zinc/20/35/74/898203574.db2.gz TXAKTKWREFWFCI-FQEVSTJZSA-N 1 0 395.551 3.806 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000105296302 898204899 /nfs/dbraw/zinc/20/48/99/898204899.db2.gz GIQHQGDMWLRWDD-UHFFFAOYSA-N 1 0 399.564 3.586 20 30 GHEDRO C#C[C@H](NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C1CCOCC1 ZINC000822301584 898312482 /nfs/dbraw/zinc/31/24/82/898312482.db2.gz XIWQCQUHDIJVAE-QFIPXVFZSA-N 1 0 383.536 3.511 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000569189645 898402050 /nfs/dbraw/zinc/40/20/50/898402050.db2.gz FJMROTMXBDONCA-WKRCXCSHSA-N 1 0 382.504 3.555 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc(OCc2ccccc2)cc1 ZINC001136592396 898409218 /nfs/dbraw/zinc/40/92/18/898409218.db2.gz YDGHJCGXFIJLRA-AKIFATBCSA-N 1 0 389.499 3.963 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000155209245 898419593 /nfs/dbraw/zinc/41/95/93/898419593.db2.gz VQHYAKIQUVQCAH-GOSISDBHSA-N 1 0 393.878 3.889 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1Br ZINC000007879418 898468779 /nfs/dbraw/zinc/46/87/79/898468779.db2.gz JSMFSLLPYLDDRP-SNVBAGLBSA-N 1 0 394.294 3.680 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000569383542 898598506 /nfs/dbraw/zinc/59/85/06/898598506.db2.gz MPKABQISRUTHAW-HXUWFJFHSA-N 1 0 383.540 3.518 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](CCc1c(Cl)cccc1Cl)CC2 ZINC001276332369 914269763 /nfs/dbraw/zinc/26/97/63/914269763.db2.gz VQEODEGCBIKMHK-UHFFFAOYSA-N 1 0 379.331 3.874 20 30 GHEDRO N#C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000569472122 898695981 /nfs/dbraw/zinc/69/59/81/898695981.db2.gz WTIMCOLMIAJURG-IRXDYDNUSA-N 1 0 397.466 3.604 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000884058178 898711183 /nfs/dbraw/zinc/71/11/83/898711183.db2.gz CWZIHZGEPMCWIN-LJQANCHMSA-N 1 0 385.552 3.674 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000569531339 898754580 /nfs/dbraw/zinc/75/45/80/898754580.db2.gz GDFYHYYZMANYIR-OAHLLOKOSA-N 1 0 390.512 3.957 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@@H](C)O1 ZINC000569586051 898808578 /nfs/dbraw/zinc/80/85/78/898808578.db2.gz QELIXUDIAKVGIR-RBSFLKMASA-N 1 0 375.538 3.572 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000569703019 898896032 /nfs/dbraw/zinc/89/60/32/898896032.db2.gz QIUCHHDBMGVBMI-LPHOPBHVSA-N 1 0 387.959 3.875 20 30 GHEDRO N#Cc1cc2c(n(CCCOc3ccccc3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000569867747 898995527 /nfs/dbraw/zinc/99/55/27/898995527.db2.gz NGAYJVCOPGLSBY-UHFFFAOYSA-N 1 0 399.494 3.747 20 30 GHEDRO CCN1CCC([NH+]2CCC(C(=O)N[C@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000570294119 899247488 /nfs/dbraw/zinc/24/74/88/899247488.db2.gz YVOXMRSYPGHUCM-HSZRJFAPSA-N 1 0 396.579 3.734 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000823801591 899267273 /nfs/dbraw/zinc/26/72/73/899267273.db2.gz JYFJADDQXWACDV-VAMGGRTRSA-N 1 0 390.572 3.522 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@H]3CC(N)=O)sc2C1 ZINC000331973543 899310557 /nfs/dbraw/zinc/31/05/57/899310557.db2.gz RKTOXMYFTWEARS-KGLIPLIRSA-N 1 0 388.537 3.853 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000289763803 914335692 /nfs/dbraw/zinc/33/56/92/914335692.db2.gz KHZIHGNMSYVMGF-INIZCTEOSA-N 1 0 379.464 3.551 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)CC1 ZINC000117010433 899340020 /nfs/dbraw/zinc/34/00/20/899340020.db2.gz RCOGHUDWYDWUJL-UHFFFAOYSA-N 1 0 386.540 3.606 20 30 GHEDRO C#C[C@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC000824370926 899568822 /nfs/dbraw/zinc/56/88/22/899568822.db2.gz TXNFVYOVGSGTAS-YJYMSZOUSA-N 1 0 379.884 3.950 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119721252 899671243 /nfs/dbraw/zinc/67/12/43/899671243.db2.gz OXARCCMNXGGDQS-WMLDXEAASA-N 1 0 375.538 3.955 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(OCC)c2OC(F)F)CC1 ZINC000119948729 899710578 /nfs/dbraw/zinc/71/05/78/899710578.db2.gz HAFNHOIGORLOGH-UHFFFAOYSA-N 1 0 397.466 3.526 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000120081987 899740934 /nfs/dbraw/zinc/74/09/34/899740934.db2.gz OAHQXVYFHCQTBU-UHFFFAOYSA-N 1 0 380.467 3.789 20 30 GHEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000571126642 899751507 /nfs/dbraw/zinc/75/15/07/899751507.db2.gz ASSOPRZJEQLLJJ-UHFFFAOYSA-N 1 0 379.430 3.682 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000825338069 900103438 /nfs/dbraw/zinc/10/34/38/900103438.db2.gz LGVYVBGPMURNRE-IBGZPJMESA-N 1 0 388.309 3.622 20 30 GHEDRO CC1(C)CN(C(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000135325433 900224535 /nfs/dbraw/zinc/22/45/35/900224535.db2.gz ZGGIDYSENWQMEX-UHFFFAOYSA-N 1 0 396.466 3.856 20 30 GHEDRO C=CCCC[C@H](NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000884714355 900246363 /nfs/dbraw/zinc/24/63/63/900246363.db2.gz QLZPXCXCEKLOOW-UTKZUKDTSA-N 1 0 379.504 3.536 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+](Cc3ccccn3)CC2)cc1Br ZINC000572761503 900269461 /nfs/dbraw/zinc/26/94/61/900269461.db2.gz RGTOUZYIXQFCHZ-UHFFFAOYSA-N 1 0 389.272 3.931 20 30 GHEDRO C=CC[C@H](CO)CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000572876713 900299266 /nfs/dbraw/zinc/29/92/66/900299266.db2.gz VZCGLULUFGLYGH-KRWDZBQOSA-N 1 0 377.554 3.571 20 30 GHEDRO CCn1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c2sc(C#N)cc2c1=O ZINC001171097870 900453330 /nfs/dbraw/zinc/45/33/30/900453330.db2.gz DPNZAQIDIUWFPL-ZDUSSCGKSA-N 1 0 388.496 3.714 20 30 GHEDRO CCOc1c(F)cc(CN2CCCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC001143742000 900462381 /nfs/dbraw/zinc/46/23/81/900462381.db2.gz ZSJVERRDEWNLGY-UHFFFAOYSA-N 1 0 388.874 3.857 20 30 GHEDRO Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001143764336 900490999 /nfs/dbraw/zinc/49/09/99/900490999.db2.gz OSTYZBBPNZZHFZ-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC(F)(F)F)cc1F)CC2 ZINC001143788283 900535156 /nfs/dbraw/zinc/53/51/56/900535156.db2.gz BBIYMPFLDAKVOP-UHFFFAOYSA-N 1 0 386.389 3.867 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)cc1 ZINC000573712355 900602403 /nfs/dbraw/zinc/60/24/03/900602403.db2.gz QMMQOTIIMBZHMI-QFIPXVFZSA-N 1 0 378.516 3.984 20 30 GHEDRO N#CCc1ccc(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000573722131 900607093 /nfs/dbraw/zinc/60/70/93/900607093.db2.gz GLAHDFSSWATSEZ-VQTJNVASSA-N 1 0 387.483 3.840 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885967072 900657963 /nfs/dbraw/zinc/65/79/63/900657963.db2.gz GYJGTHFVDBQZAK-MOPGFXCFSA-N 1 0 391.556 3.543 20 30 GHEDRO C/C(=C\C(=O)N(C(C)C)C(C)(C)C[NH3+])C(=O)c1ccc(Br)cc1 ZINC001143890212 900666550 /nfs/dbraw/zinc/66/65/50/900666550.db2.gz DKFADWREBIYTQF-JLHYYAGUSA-N 1 0 381.314 3.552 20 30 GHEDRO C/C(=C\C(=O)Nc1c[nH+]ccc1N(C)C)C(=O)c1ccc(Br)cc1 ZINC001143881193 900676560 /nfs/dbraw/zinc/67/65/60/900676560.db2.gz TUMYSHSRCNXCRF-ZRDIBKRKSA-N 1 0 388.265 3.678 20 30 GHEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000574126834 900786883 /nfs/dbraw/zinc/78/68/83/900786883.db2.gz GSCUJUUBNIHJJO-DAYGRLMNSA-N 1 0 381.442 3.651 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccccc1C#N ZINC000056159829 900870640 /nfs/dbraw/zinc/87/06/40/900870640.db2.gz CRRSIUSZOVOYDS-LSDHHAIUSA-N 1 0 391.475 3.520 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000886362919 900956613 /nfs/dbraw/zinc/95/66/13/900956613.db2.gz SEIKAYRQMQBBFB-JKSUJKDBSA-N 1 0 381.501 3.673 20 30 GHEDRO C#CCC1([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCOCC1 ZINC000886379242 900967115 /nfs/dbraw/zinc/96/71/15/900967115.db2.gz SYLNITKFBDZPRW-UHFFFAOYSA-N 1 0 377.410 3.612 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)CC1 ZINC001144074125 901004164 /nfs/dbraw/zinc/00/41/64/901004164.db2.gz DIXMBNMIYQBTHU-FQEVSTJZSA-N 1 0 384.524 3.955 20 30 GHEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000574853614 901041707 /nfs/dbraw/zinc/04/17/07/901041707.db2.gz NTTDCJBZKBLZEW-UHFFFAOYSA-N 1 0 390.535 3.706 20 30 GHEDRO N#CCOc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000069317484 901112389 /nfs/dbraw/zinc/11/23/89/901112389.db2.gz PSNPHHBXKCLGNQ-UHFFFAOYSA-N 1 0 392.503 3.574 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccccc2OCC#N)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000844715055 901194044 /nfs/dbraw/zinc/19/40/44/901194044.db2.gz FMHLAFRTTZAPDW-GUDVDZBRSA-N 1 0 377.488 3.712 20 30 GHEDRO Cc1nc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)[nH]c1C ZINC000886664147 901213641 /nfs/dbraw/zinc/21/36/41/901213641.db2.gz CPKKUPAKXGNPQJ-UHFFFAOYSA-N 1 0 397.548 3.657 20 30 GHEDRO CS(=O)(=O)c1ccc(C(=[NH2+])N[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1 ZINC001171147856 901216553 /nfs/dbraw/zinc/21/65/53/901216553.db2.gz MHYWPXZGXNWZSL-CQSZACIVSA-N 1 0 397.327 3.660 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3[nH]nc4ccc(F)cc43)CC2)C1 ZINC001144191394 901225582 /nfs/dbraw/zinc/22/55/82/901225582.db2.gz LIOIWKXAWNXRQK-UHFFFAOYSA-N 1 0 386.471 3.703 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000844758679 901240292 /nfs/dbraw/zinc/24/02/92/901240292.db2.gz KEGJAEHOYSYFMT-OAHLLOKOSA-N 1 0 375.451 3.884 20 30 GHEDRO C#CCC1([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)CCOCC1 ZINC000887123600 901444488 /nfs/dbraw/zinc/44/44/88/901444488.db2.gz WJVASIWQYLYYGW-UHFFFAOYSA-N 1 0 378.472 3.970 20 30 GHEDRO COc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc(OC)c1OC ZINC000092034391 901467053 /nfs/dbraw/zinc/46/70/53/901467053.db2.gz IJLBLXDLKZWAOJ-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO CC(=O)Oc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1OC(C)=O ZINC001144269120 901541531 /nfs/dbraw/zinc/54/15/31/901541531.db2.gz BZVJLUCXGQHDEY-UHFFFAOYSA-N 1 0 392.455 3.595 20 30 GHEDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000121675191 901655679 /nfs/dbraw/zinc/65/56/79/901655679.db2.gz FPIFDLPHEXVUFF-UHFFFAOYSA-N 1 0 391.487 3.593 20 30 GHEDRO C#CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000845076729 901772386 /nfs/dbraw/zinc/77/23/86/901772386.db2.gz NZAXIFAYTBJGKO-HSZRJFAPSA-N 1 0 386.499 3.586 20 30 GHEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000576511810 902068027 /nfs/dbraw/zinc/06/80/27/902068027.db2.gz MUSDRUCZVDVYKK-GOSISDBHSA-N 1 0 378.394 3.609 20 30 GHEDRO CC(C)c1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)n(Cc2ccccc2)n1 ZINC000576595073 902115802 /nfs/dbraw/zinc/11/58/02/902115802.db2.gz FXNFTVIRUBSQEM-UHFFFAOYSA-N 1 0 396.539 3.754 20 30 GHEDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCOCC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000576702642 902203287 /nfs/dbraw/zinc/20/32/87/902203287.db2.gz VPFLNERBPJAXQJ-VIHQBZHPSA-N 1 0 397.563 3.687 20 30 GHEDRO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2c(O)cc(O)cc2O)cc1 ZINC001144515839 902319786 /nfs/dbraw/zinc/31/97/86/902319786.db2.gz GQEHYVIOJWLVJG-UHFFFAOYSA-N 1 0 385.423 3.749 20 30 GHEDRO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000576869667 902322125 /nfs/dbraw/zinc/32/21/25/902322125.db2.gz YHYYANPMHKPGIC-LZQZEXGQSA-N 1 0 384.442 3.532 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ccc(OC)cc2)C3)cc1 ZINC001144569506 902400967 /nfs/dbraw/zinc/40/09/67/902400967.db2.gz SOWXFUHQQDHGPQ-RUZDIDTESA-N 1 0 390.527 3.796 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000577106655 902504574 /nfs/dbraw/zinc/50/45/74/902504574.db2.gz QLUKTQDKSQTJSN-FXAWDEMLSA-N 1 0 392.551 3.789 20 30 GHEDRO N#CCOc1ccc(CC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000290326849 914630593 /nfs/dbraw/zinc/63/05/93/914630593.db2.gz BEVQFWMOKFDXSX-QFIPXVFZSA-N 1 0 391.515 3.550 20 30 GHEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H]4CCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000334026341 902510674 /nfs/dbraw/zinc/51/06/74/902510674.db2.gz HMQZRAYKRUTGFV-AVRDEDQJSA-N 1 0 399.498 3.728 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000778989276 902577437 /nfs/dbraw/zinc/57/74/37/902577437.db2.gz PSXUJLMFQDHCNR-ZFWWWQNUSA-N 1 0 395.450 3.895 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)cc1 ZINC000846054860 902640874 /nfs/dbraw/zinc/64/08/74/902640874.db2.gz DOKUVGWXNFIHEN-QINHECLXSA-N 1 0 380.492 3.939 20 30 GHEDRO Cc1cc(N2CCN(C(=O)/C=C/C(=O)c3ccccc3)CC2)c2ccccc2[nH+]1 ZINC001144704896 902670643 /nfs/dbraw/zinc/67/06/43/902670643.db2.gz FDQXZFWJDZAGFS-VAWYXSNFSA-N 1 0 385.467 3.631 20 30 GHEDRO Cc1cccc(N([C@H](C)Cc2cccc(C#N)c2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001171210973 902682876 /nfs/dbraw/zinc/68/28/76/902682876.db2.gz ASSGMJSSPHLPSB-VEXUSMLFSA-N 1 0 375.516 3.825 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC001171216538 902732452 /nfs/dbraw/zinc/73/24/52/902732452.db2.gz JGXNUZMKWVJAGQ-IBGZPJMESA-N 1 0 387.527 3.786 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC001171215623 902750264 /nfs/dbraw/zinc/75/02/64/902750264.db2.gz BYDQPASRJSKYEQ-XXBNENTESA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@H](C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)CO)c1ccccc1 ZINC000577479372 902809102 /nfs/dbraw/zinc/80/91/02/902809102.db2.gz OOJCRCQAJAVNAJ-SJORKVTESA-N 1 0 376.460 3.595 20 30 GHEDRO CCOc1cc(C[NH2+]CCCCC#N)ccc1OCC(=O)Nc1ccccc1 ZINC000264079511 902829743 /nfs/dbraw/zinc/82/97/43/902829743.db2.gz UHWUDNWBQWRPKS-UHFFFAOYSA-N 1 0 381.476 3.886 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000600723571 902844632 /nfs/dbraw/zinc/84/46/32/902844632.db2.gz WQBVAHSELFWNSK-MRXNPFEDSA-N 1 0 382.335 3.602 20 30 GHEDRO CCCCOc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1Cl ZINC000600732770 902856565 /nfs/dbraw/zinc/85/65/65/902856565.db2.gz FSKMIFWEUJTBPH-KRWDZBQOSA-N 1 0 380.916 3.680 20 30 GHEDRO C[N@H+](Cc1ccccc1NC[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600739636 902861451 /nfs/dbraw/zinc/86/14/51/902861451.db2.gz RLFZJRQTYRIBRG-OAQYLSRUSA-N 1 0 385.552 3.934 20 30 GHEDRO C=CCCCCCCCCC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001144796063 902935794 /nfs/dbraw/zinc/93/57/94/902935794.db2.gz WVEVWQJHKHMASJ-UHFFFAOYSA-N 1 0 397.523 3.950 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)CCCC2)CC1 ZINC000577604844 902943118 /nfs/dbraw/zinc/94/31/18/902943118.db2.gz ZJWXGXFWJUYVCR-SFHVURJKSA-N 1 0 398.551 3.684 20 30 GHEDRO N#Cc1ccc(CN(C(=O)[C@@H](O)c2cccc(Cl)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001144834481 903003927 /nfs/dbraw/zinc/00/39/27/903003927.db2.gz DPYXAHXIAFPVOO-ACRUOGEOSA-N 1 0 397.906 3.544 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000600896076 903062878 /nfs/dbraw/zinc/06/28/78/903062878.db2.gz QCVQHBIHKOKAKU-NRFANRHFSA-N 1 0 379.504 3.888 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C2CCOCC2)cc1 ZINC000601000703 903210379 /nfs/dbraw/zinc/21/03/79/903210379.db2.gz XRQISGTWSBVLPI-UHFFFAOYSA-N 1 0 391.515 3.656 20 30 GHEDRO COc1cccc(C[C@@H]([NH3+])C(=O)N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)c1 ZINC001144937229 903212622 /nfs/dbraw/zinc/21/26/22/903212622.db2.gz MDGXFRFQEJVECA-UZUQRXQVSA-N 1 0 392.499 3.792 20 30 GHEDRO N#Cc1cnn2cc(C[NH+]3CCC(c4cccc(Br)c4)CC3)cnc12 ZINC000577851054 903269962 /nfs/dbraw/zinc/26/99/62/903269962.db2.gz YXSPRMJZBBRKOL-UHFFFAOYSA-N 1 0 396.292 3.743 20 30 GHEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000847027859 903407335 /nfs/dbraw/zinc/40/73/35/903407335.db2.gz DUADQWRHPVWLLP-HOTGVXAUSA-N 1 0 381.501 3.673 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000847057266 903436619 /nfs/dbraw/zinc/43/66/19/903436619.db2.gz IBOYRWKGXYHYJN-HXUWFJFHSA-N 1 0 399.535 3.535 20 30 GHEDRO C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000601187188 903442605 /nfs/dbraw/zinc/44/26/05/903442605.db2.gz BJDRICGPXFADQZ-RBUKOAKNSA-N 1 0 376.504 3.723 20 30 GHEDRO N#CC1(Nc2nc(CC3CC3)nc3[nH]ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171274579 903469638 /nfs/dbraw/zinc/46/96/38/903469638.db2.gz DMIGAZSZIJHMTO-UHFFFAOYSA-N 1 0 386.503 3.881 20 30 GHEDRO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CCc1ccc(Br)cc1)CC2 ZINC001275549215 914720848 /nfs/dbraw/zinc/72/08/48/914720848.db2.gz QDRROBWCVYBTOM-GOSISDBHSA-N 1 0 391.353 3.786 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000578091228 903509776 /nfs/dbraw/zinc/50/97/76/903509776.db2.gz WMZMIUVXIPCWDZ-JPYJTQIMSA-N 1 0 389.499 3.836 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001146420589 903534503 /nfs/dbraw/zinc/53/45/03/903534503.db2.gz FXBGCUUZXXSBHY-FHWLQOOXSA-N 1 0 393.572 3.569 20 30 GHEDRO N#Cc1ncc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C(F)(F)F ZINC001171278000 903560012 /nfs/dbraw/zinc/56/00/12/903560012.db2.gz ZAIIFRADWFAQGQ-UHFFFAOYSA-N 1 0 385.393 3.942 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC001146918973 903651451 /nfs/dbraw/zinc/65/14/51/903651451.db2.gz GLJQJSXWPSALOO-NRFANRHFSA-N 1 0 399.922 3.616 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)nc1 ZINC000578277441 903681548 /nfs/dbraw/zinc/68/15/48/903681548.db2.gz QBPCMINPXDBFLX-GOSISDBHSA-N 1 0 379.851 3.650 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136506409 903787724 /nfs/dbraw/zinc/78/77/24/903787724.db2.gz JTEOPPLNSBXXCU-GOSISDBHSA-O 1 0 397.564 3.971 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(OC)c2)c1 ZINC000772985176 903948190 /nfs/dbraw/zinc/94/81/90/903948190.db2.gz UESZATPTLAPQIN-LPHOPBHVSA-N 1 0 381.476 3.883 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000048744073 904088733 /nfs/dbraw/zinc/08/87/33/904088733.db2.gz JDHDCZMAAXHBFR-UHFFFAOYSA-N 1 0 383.495 3.946 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC001148519234 904090277 /nfs/dbraw/zinc/09/02/77/904090277.db2.gz ARXSWQATICTYQW-KRWDZBQOSA-N 1 0 398.304 3.667 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccc([C@@H](C)C#N)c1)[C@@H]2C ZINC001148614314 904139865 /nfs/dbraw/zinc/13/98/65/904139865.db2.gz RCWVLXLECYNCLH-DLBZAZTESA-N 1 0 379.508 3.567 20 30 GHEDRO C[NH+](C)CCc1cccc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 ZINC001148673868 904150256 /nfs/dbraw/zinc/15/02/56/904150256.db2.gz AKXOKSQKQFKFLP-GOSISDBHSA-N 1 0 391.393 3.684 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1scc(C)c1C#N ZINC000578879397 904203611 /nfs/dbraw/zinc/20/36/11/904203611.db2.gz TVTGFPLHHMGTSD-QGZVFWFLSA-N 1 0 383.521 3.842 20 30 GHEDRO CC(C)(CCC#N)c1ccc(C(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001148908463 904244395 /nfs/dbraw/zinc/24/43/95/904244395.db2.gz FXZLSCIZEWLXCS-UHFFFAOYSA-N 1 0 391.515 3.638 20 30 GHEDRO CC(C)(CCC#N)c1ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC001148906380 904244544 /nfs/dbraw/zinc/24/45/44/904244544.db2.gz ORARGVZFTCHJGX-UHFFFAOYSA-N 1 0 383.536 3.595 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000579089368 904341930 /nfs/dbraw/zinc/34/19/30/904341930.db2.gz RFJWYMFBOAEPNH-NQIIRXRSSA-N 1 0 395.551 3.699 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4c(F)cc(F)cc4C3)CC2)cc1 ZINC001171354543 904346088 /nfs/dbraw/zinc/34/60/88/904346088.db2.gz LVBGJNMUIRVQCN-FQEVSTJZSA-N 1 0 395.453 3.588 20 30 GHEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000773030117 904388663 /nfs/dbraw/zinc/38/86/63/904388663.db2.gz KOAMXQGFMDVGPS-ZWKOTPCHSA-N 1 0 391.446 3.784 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1ncccc1C(=O)NCCC[NH+](C)C ZINC001171373784 904394506 /nfs/dbraw/zinc/39/45/06/904394506.db2.gz VGSFTMAQNVBVOG-KRWDZBQOSA-N 1 0 382.508 3.501 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001171374743 904400037 /nfs/dbraw/zinc/40/00/37/904400037.db2.gz UZPUPFBHPWNISS-OXJNMPFZSA-N 1 0 377.488 3.575 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000579256539 904459272 /nfs/dbraw/zinc/45/92/72/904459272.db2.gz WJGVOQVAJWQWIP-FQEVSTJZSA-N 1 0 381.568 3.922 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171464725 904723873 /nfs/dbraw/zinc/72/38/73/904723873.db2.gz BZKVVMPRNFHCIZ-OAQYLSRUSA-N 1 0 381.470 3.948 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483043 904726895 /nfs/dbraw/zinc/72/68/95/904726895.db2.gz QYNRRJBOMOJNTL-YUXAGFNASA-N 1 0 377.475 3.896 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483040 904727106 /nfs/dbraw/zinc/72/71/06/904727106.db2.gz QYNRRJBOMOJNTL-BVYCBKJFSA-N 1 0 377.475 3.896 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CCO2 ZINC001171490009 904734243 /nfs/dbraw/zinc/73/42/43/904734243.db2.gz VJQDFXWUBPPSBF-XQBPLPMBSA-N 1 0 377.475 3.896 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171536714 904763547 /nfs/dbraw/zinc/76/35/47/904763547.db2.gz VFHGAPLYTNSQTQ-KSFYIVLOSA-N 1 0 392.465 3.994 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1C[C@H](C)N(Cc3ccccc3)C1)C2 ZINC001171748697 904975899 /nfs/dbraw/zinc/97/58/99/904975899.db2.gz GMSLPTYPFXNWJX-MZURWIMNSA-N 1 0 384.564 3.723 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]2c2ccccc2)C1=O ZINC001171796651 905054645 /nfs/dbraw/zinc/05/46/45/905054645.db2.gz PLGJELKXTPTXAL-HOKHCIIBSA-N 1 0 390.502 3.797 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](C)[C@@H]3CCO)sc2C1 ZINC001171835507 905086242 /nfs/dbraw/zinc/08/62/42/905086242.db2.gz ZZTFZTULSCPYML-VKJFTORMSA-N 1 0 389.565 3.556 20 30 GHEDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000076404082 905125404 /nfs/dbraw/zinc/12/54/04/905125404.db2.gz FMMDSKSZMWQAMP-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000173885898 905155196 /nfs/dbraw/zinc/15/51/96/905155196.db2.gz HDMNXDLUZSIKDN-QZTJIDSGSA-N 1 0 392.503 3.939 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171927126 905181724 /nfs/dbraw/zinc/18/17/24/905181724.db2.gz GBYPWTUKYHKSAS-MPDZVGHASA-N 1 0 393.568 3.961 20 30 GHEDRO N#CCSCCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000174134183 905209444 /nfs/dbraw/zinc/20/94/44/905209444.db2.gz CTRQIPMMFQNGKD-UHFFFAOYSA-N 1 0 396.354 3.746 20 30 GHEDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(C)o1 ZINC000174438928 905271845 /nfs/dbraw/zinc/27/18/45/905271845.db2.gz NSQYHCHHQSRIGD-QFIPXVFZSA-N 1 0 378.476 3.671 20 30 GHEDRO C[C@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C1C[C@@H]2COC[C@H](C1)N2C ZINC001172141533 905348676 /nfs/dbraw/zinc/34/86/76/905348676.db2.gz YEAOZNVFSFNKRL-AIRYKSJBSA-N 1 0 375.516 3.983 20 30 GHEDRO COC(=O)[C@@H](C[NH3+])c1cn([C@H](C)Cc2ccc(C#N)cc2)c2ccc(OC)cc12 ZINC001172300560 905453179 /nfs/dbraw/zinc/45/31/79/905453179.db2.gz WTBMPLJSNBAZQS-QRWLVFNGSA-N 1 0 391.471 3.541 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(C(=O)c3ccco3)C2)CC1 ZINC001172304764 905459416 /nfs/dbraw/zinc/45/94/16/905459416.db2.gz PNFZISXQALHBOG-SFHVURJKSA-N 1 0 377.488 3.711 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001172306805 905463291 /nfs/dbraw/zinc/46/32/91/905463291.db2.gz YSJSGWDQXLJHDQ-VEXUSMLFSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001172307079 905463542 /nfs/dbraw/zinc/46/35/42/905463542.db2.gz ZVJCRYCPOUIWHA-NGYIFUPDSA-N 1 0 391.515 3.834 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001172308945 905465023 /nfs/dbraw/zinc/46/50/23/905465023.db2.gz PXQBKVMMCDMOAK-FGSBKAERSA-N 1 0 388.515 3.531 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1noc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001172290863 905480270 /nfs/dbraw/zinc/48/02/70/905480270.db2.gz TWESSGALUNFZKC-HNNXBMFYSA-N 1 0 396.491 3.560 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)[C@H](C)[NH2+][C@@H](C)Cc3ccc(C#N)cc3)ccc12 ZINC001172296920 905482424 /nfs/dbraw/zinc/48/24/24/905482424.db2.gz KOMWRSBHAUBINF-HOTGVXAUSA-N 1 0 389.455 3.521 20 30 GHEDRO CCCCCCC[C@H](CC)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172356149 905526421 /nfs/dbraw/zinc/52/64/21/905526421.db2.gz USFACOXSWAPBOQ-NRFANRHFSA-N 1 0 375.605 3.585 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001172479750 905556381 /nfs/dbraw/zinc/55/63/81/905556381.db2.gz KODPSTDLJFEAMG-QZTJIDSGSA-N 1 0 379.545 3.855 20 30 GHEDRO OC[C@]1(c2ccccc2)CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000801581274 921156749 /nfs/dbraw/zinc/15/67/49/921156749.db2.gz DOXDVEBCZLXCTR-NRFANRHFSA-N 1 0 389.417 3.963 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172497113 905598467 /nfs/dbraw/zinc/59/84/67/905598467.db2.gz YCYXHXYTUMJAPD-KRWDZBQOSA-N 1 0 379.545 3.949 20 30 GHEDRO C[C@@H](CCCC#N)N([C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1)S(C)(=O)=O ZINC001172493836 905598725 /nfs/dbraw/zinc/59/87/25/905598725.db2.gz WBGWCWMYOBBLGK-YYWHXJBOSA-N 1 0 385.533 3.772 20 30 GHEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001172501599 905599805 /nfs/dbraw/zinc/59/98/05/905599805.db2.gz DHFPIGCYVBQFKO-IBGZPJMESA-N 1 0 395.613 3.935 20 30 GHEDRO CCCCCCCC[C@H](CC)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2 ZINC001172503847 905601981 /nfs/dbraw/zinc/60/19/81/905601981.db2.gz BVEDPIMVDJCFCK-KRWDZBQOSA-N 1 0 376.545 3.660 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)CC1 ZINC001172800616 905873293 /nfs/dbraw/zinc/87/32/93/905873293.db2.gz ZGVVDFISGFQUJA-QZTJIDSGSA-N 1 0 386.492 3.532 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172907033 905933436 /nfs/dbraw/zinc/93/34/36/905933436.db2.gz ZNLFPIAOPIGALG-OFNKIYASSA-N 1 0 397.519 3.875 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176935818 905991543 /nfs/dbraw/zinc/99/15/43/905991543.db2.gz LFTXJTLOWKJWNV-HDICACEKSA-N 1 0 384.524 3.610 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCOc2cccc(Cl)c2)C[C@H]1C#N ZINC001172971726 906035582 /nfs/dbraw/zinc/03/55/82/906035582.db2.gz SLBHIINZSCVXAO-IRXDYDNUSA-N 1 0 393.915 3.990 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)C[C@H]1C#N ZINC001172975646 906040342 /nfs/dbraw/zinc/04/03/42/906040342.db2.gz JAMSNAZIKOPRSD-OLZOCXBDSA-N 1 0 385.842 3.999 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cc(F)cc32)C[C@H]1C#N ZINC001172977942 906043916 /nfs/dbraw/zinc/04/39/16/906043916.db2.gz JQPMCWSLWDFZCH-GRDNDAEWSA-N 1 0 393.434 3.670 20 30 GHEDRO COc1cccc(CC2([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CC2)c1 ZINC001172978971 906045206 /nfs/dbraw/zinc/04/52/06/906045206.db2.gz UPGVBIKPECXGPB-ROUUACIJSA-N 1 0 385.508 3.652 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@](CF)(C(F)(F)F)C2)C[C@H]1C#N ZINC001172981237 906047933 /nfs/dbraw/zinc/04/79/33/906047933.db2.gz URKFSOQMMKFNKG-HEHGZKQESA-N 1 0 379.398 3.502 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(c3ccc(F)cc3F)CC2)C[C@H]1C#N ZINC001172981519 906048146 /nfs/dbraw/zinc/04/81/46/906048146.db2.gz MCFAHKYYBLPGFH-GJZGRUSLSA-N 1 0 377.435 3.835 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C[C@H]1C#N ZINC001172994487 906105556 /nfs/dbraw/zinc/10/55/56/906105556.db2.gz WDBOVTZKFBOMDN-ZIFCJYIRSA-N 1 0 389.471 3.570 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(C)ccc1OC ZINC000190603487 906169179 /nfs/dbraw/zinc/16/91/79/906169179.db2.gz KXTOLZBBDXLSMR-NHCUHLMSSA-N 1 0 377.488 3.717 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234024 906321342 /nfs/dbraw/zinc/32/13/42/906321342.db2.gz OCVPBJKZOXIVNG-MRXNPFEDSA-N 1 0 395.459 3.949 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)CC1 ZINC001173320878 906370259 /nfs/dbraw/zinc/37/02/59/906370259.db2.gz FSDUIPCKBREFFG-VHYCJAOWSA-N 1 0 399.579 3.510 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)CC1 ZINC001173335041 906376933 /nfs/dbraw/zinc/37/69/33/906376933.db2.gz CZKGEQGKVBJOIB-IXFUEQBVSA-N 1 0 383.536 3.942 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)CC1 ZINC001173335220 906377720 /nfs/dbraw/zinc/37/77/20/906377720.db2.gz FYDQZIYDUGAFCB-RRIAHRGQSA-N 1 0 383.536 3.942 20 30 GHEDRO C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccncc3Br)C2)C1=O ZINC001276004068 921231056 /nfs/dbraw/zinc/23/10/56/921231056.db2.gz QNIHDGXKLNEVSK-HXUWFJFHSA-N 1 0 398.304 3.520 20 30 GHEDRO C=CCOC1CCC([NH2+]Cc2ccc(OC3CCOCC3)c(OC)c2)CC1 ZINC001173318975 906389366 /nfs/dbraw/zinc/38/93/66/906389366.db2.gz SHNKCDDGWZCZSJ-UHFFFAOYSA-N 1 0 375.509 3.856 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)CC1 ZINC001173320060 906391727 /nfs/dbraw/zinc/39/17/27/906391727.db2.gz GLLJASDPSKORSN-UHFFFAOYSA-N 1 0 382.508 3.577 20 30 GHEDRO CC[N@H+](CCC#N)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173377049 906406704 /nfs/dbraw/zinc/40/67/04/906406704.db2.gz HFDQYVLDVCCTQF-IXDOHACOSA-N 1 0 380.529 3.690 20 30 GHEDRO N#CC1(C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC1 ZINC001173379185 906410431 /nfs/dbraw/zinc/41/04/31/906410431.db2.gz OYOUIHASAMUZJV-UHFFFAOYSA-N 1 0 390.325 3.727 20 30 GHEDRO COc1cccc([C@@H]2CC[N@@H+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)c1 ZINC001173436099 906451342 /nfs/dbraw/zinc/45/13/42/906451342.db2.gz QTKPNVYTYGJGON-OAQYLSRUSA-N 1 0 389.499 3.661 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](c3ccncc3Cl)C3CC3)CC2)cc1 ZINC001173427266 906463602 /nfs/dbraw/zinc/46/36/02/906463602.db2.gz MXMCIWWSEYDYBA-OAQYLSRUSA-N 1 0 394.906 3.952 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4c3c(F)ccc4F)CC2)cc1 ZINC001173429132 906465035 /nfs/dbraw/zinc/46/50/35/906465035.db2.gz MUKBDKIDQUDYEI-HXUWFJFHSA-N 1 0 381.426 3.718 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCCc4cc(F)ccc43)CC2)cc1 ZINC001173428513 906465052 /nfs/dbraw/zinc/46/50/52/906465052.db2.gz PYCIRWWEFKBZSL-JOCHJYFZSA-N 1 0 377.463 3.969 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC001173429568 906466740 /nfs/dbraw/zinc/46/67/40/906466740.db2.gz ZONPKONAGITALV-RTWAWAEBSA-N 1 0 379.891 3.962 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](c4ccccc4F)C3)CC2)cc1 ZINC001173431054 906468830 /nfs/dbraw/zinc/46/88/30/906468830.db2.gz BHYHLJGGHMMWKZ-LJQANCHMSA-N 1 0 377.463 3.791 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])C3CCC(C)(C#N)CC3)nc3ccc(C)cc3n12 ZINC001173588563 906544994 /nfs/dbraw/zinc/54/49/94/906544994.db2.gz KUMDNCUAWOKSAY-UHFFFAOYSA-N 1 0 376.508 3.737 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]3C[N@@H+](C4CCC(C)(C#N)CC4)CC[C@]3(C1)O2 ZINC001173593745 906547005 /nfs/dbraw/zinc/54/70/05/906547005.db2.gz MVIFBLRVBJTUAI-GVNLUNHVSA-N 1 0 389.540 3.559 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)CC1 ZINC001173596082 906551175 /nfs/dbraw/zinc/55/11/75/906551175.db2.gz IZKSCYSTZBVVSO-NFJGTOLLSA-N 1 0 383.536 3.942 20 30 GHEDRO CC1(C#N)CCC([NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)CC1 ZINC001173599902 906552900 /nfs/dbraw/zinc/55/29/00/906552900.db2.gz SFAAVSUFUYMNND-UHFFFAOYSA-N 1 0 394.563 3.520 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179770852 906591513 /nfs/dbraw/zinc/59/15/13/906591513.db2.gz AWIOTEVCMIBBSB-KRWDZBQOSA-N 1 0 390.487 3.633 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001173654661 906641140 /nfs/dbraw/zinc/64/11/40/906641140.db2.gz UXPVMIJJSRPBNX-CEQIKUNHSA-N 1 0 395.503 3.816 20 30 GHEDRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180875202 906868676 /nfs/dbraw/zinc/86/86/76/906868676.db2.gz YSQLDLYFOUEVIO-BKBKCADHSA-N 1 0 397.519 3.622 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000180997153 906892886 /nfs/dbraw/zinc/89/28/86/906892886.db2.gz CRBGGINENJQHEY-UHFFFAOYSA-N 1 0 393.482 3.654 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000181605151 907036096 /nfs/dbraw/zinc/03/60/96/907036096.db2.gz YGTRHJZTEWDXDM-KURKYZTESA-N 1 0 377.488 3.658 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2)cc(OC)c1 ZINC000181880341 907094648 /nfs/dbraw/zinc/09/46/48/907094648.db2.gz ILWRVLXXOLFAMH-PXNSSMCTSA-N 1 0 395.503 3.531 20 30 GHEDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000299340982 921297460 /nfs/dbraw/zinc/29/74/60/921297460.db2.gz FFTQIGSUGQFNGI-QGZVFWFLSA-N 1 0 380.492 3.793 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(-n2ccnn2)cc1 ZINC000191822218 907263330 /nfs/dbraw/zinc/26/33/30/907263330.db2.gz MSWVMGWKPIYJSW-ZDUSSCGKSA-N 1 0 382.265 3.752 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1C#N ZINC000773428134 907292173 /nfs/dbraw/zinc/29/21/73/907292173.db2.gz IZKHERLSTJKUSQ-RXVVDRJESA-N 1 0 376.460 3.734 20 30 GHEDRO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001174965569 907314604 /nfs/dbraw/zinc/31/46/04/907314604.db2.gz NFJOIPXXCDQSBH-OAHLLOKOSA-N 1 0 375.822 3.701 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192109918 907422037 /nfs/dbraw/zinc/42/20/37/907422037.db2.gz QRDSCLPSLPWXCP-PXNSSMCTSA-N 1 0 390.842 3.858 20 30 GHEDRO Cc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c(OCC[NH+](C)C)c1 ZINC000184033512 907504278 /nfs/dbraw/zinc/50/42/78/907504278.db2.gz ZWGXUQPWIAQQOT-MRXNPFEDSA-N 1 0 382.464 3.870 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000192491066 907687422 /nfs/dbraw/zinc/68/74/22/907687422.db2.gz OTFBPGMAZIGBMS-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742323 907828350 /nfs/dbraw/zinc/82/83/50/907828350.db2.gz UMEOHFFGACTMAX-HSALFYBXSA-N 1 0 382.552 3.564 20 30 GHEDRO COc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000186843539 907994702 /nfs/dbraw/zinc/99/47/02/907994702.db2.gz WQBUXNIUVODZBD-UHFFFAOYSA-N 1 0 384.455 3.610 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC001176274509 908007780 /nfs/dbraw/zinc/00/77/80/908007780.db2.gz YCPASPFWFUBXDV-QZTJIDSGSA-N 1 0 382.533 3.733 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000188691486 908239650 /nfs/dbraw/zinc/23/96/50/908239650.db2.gz VAGCPFRAMGFIOM-MRXNPFEDSA-N 1 0 399.520 3.784 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C1(C)CC1 ZINC001176767367 908257568 /nfs/dbraw/zinc/25/75/68/908257568.db2.gz HLYCMEPTKPGPEO-INIZCTEOSA-N 1 0 376.504 3.944 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(CCC(=O)Nc3ccccc3C#N)CC2)CC1 ZINC000084715691 909044313 /nfs/dbraw/zinc/04/43/13/909044313.db2.gz ZPPXTMNZGQHOEL-UHFFFAOYSA-N 1 0 382.552 3.719 20 30 GHEDRO FC(F)COCC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC001178496614 909056548 /nfs/dbraw/zinc/05/65/48/909056548.db2.gz CZYLIBYSOGUYKJ-LBPRGKRZSA-N 1 0 381.263 3.930 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc([S@@](C)=O)cc1 ZINC000366295613 921467654 /nfs/dbraw/zinc/46/76/54/921467654.db2.gz MFBZVIKTFZCSJO-PMOSDDBASA-N 1 0 385.508 3.754 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC001178558129 909120794 /nfs/dbraw/zinc/12/07/94/909120794.db2.gz ZAPFHNKNQWGNCK-KRWDZBQOSA-N 1 0 394.696 3.938 20 30 GHEDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1 ZINC000266447471 909167934 /nfs/dbraw/zinc/16/79/34/909167934.db2.gz ILEFZRDENNEFCI-DLBZAZTESA-N 1 0 381.476 3.690 20 30 GHEDRO C=CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3scnc3Cl)C2)C1=O ZINC001276025735 921481717 /nfs/dbraw/zinc/48/17/17/921481717.db2.gz QKUVCXAOKSETBN-OXJNMPFZSA-N 1 0 387.936 3.801 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001179053326 909364143 /nfs/dbraw/zinc/36/41/43/909364143.db2.gz KHAPBAPYUCFKOA-UHFFFAOYSA-N 1 0 395.203 3.975 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(I)s2)cc1C#N ZINC001179447423 909526230 /nfs/dbraw/zinc/52/62/30/909526230.db2.gz GIKRPZJAXJSLSH-UHFFFAOYSA-N 1 0 384.242 3.523 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)C2 ZINC001179418753 909530846 /nfs/dbraw/zinc/53/08/46/909530846.db2.gz BNYCRABAYUFNCY-LJQANCHMSA-N 1 0 381.273 3.854 20 30 GHEDRO COc1ccc(OCc2ccccn2)c(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)c1 ZINC001179418738 909531343 /nfs/dbraw/zinc/53/13/43/909531343.db2.gz BDQOAQADAOGAPC-QFIPXVFZSA-N 1 0 385.467 3.798 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)C1 ZINC001179580011 909611229 /nfs/dbraw/zinc/61/12/29/909611229.db2.gz ZNJNZZNFAUUYIC-INIZCTEOSA-N 1 0 377.319 3.675 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc(OC)c1O ZINC001179682090 909670680 /nfs/dbraw/zinc/67/06/80/909670680.db2.gz YDNYOYMESQYONZ-GOSISDBHSA-N 1 0 390.524 3.864 20 30 GHEDRO Cc1cc(F)c(C(=O)C(C(=S)NC(C)C)[n+]2ccc(N(C)C)cc2)cc1F ZINC000267900889 909687595 /nfs/dbraw/zinc/68/75/95/909687595.db2.gz WCKNUXOGUJSFGK-UHFFFAOYSA-O 1 0 392.495 3.564 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cc1 ZINC000245733278 909867572 /nfs/dbraw/zinc/86/75/72/909867572.db2.gz KFIVWQPAIUTTOJ-IFXJQAMLSA-N 1 0 389.293 3.905 20 30 GHEDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245743338 909878592 /nfs/dbraw/zinc/87/85/92/909878592.db2.gz FLSQKMUJOSURRW-DENIHFKCSA-N 1 0 379.504 3.686 20 30 GHEDRO N#CC1(NC(=O)C2(C(F)(F)F)CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001180479376 910165005 /nfs/dbraw/zinc/16/50/05/910165005.db2.gz NEGSTJIXHZFBCV-UHFFFAOYSA-N 1 0 379.426 3.784 20 30 GHEDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1O ZINC000246314785 910228200 /nfs/dbraw/zinc/22/82/00/910228200.db2.gz FAQNATOPKWBTCK-GAJHUEQPSA-N 1 0 377.488 3.764 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2cccc(C)c2)c(C)s1 ZINC000269696603 910336837 /nfs/dbraw/zinc/33/68/37/910336837.db2.gz KHZXSKMEBNKJPC-INIZCTEOSA-O 1 0 389.566 3.526 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001181120903 910556355 /nfs/dbraw/zinc/55/63/55/910556355.db2.gz CVOVBPAULNQNAC-KSEOMHKRSA-N 1 0 387.568 3.880 20 30 GHEDRO N#Cc1cc(CC(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1F ZINC001181182741 910595387 /nfs/dbraw/zinc/59/53/87/910595387.db2.gz PSAKIMOXTUSHIP-NHCUHLMSSA-N 1 0 391.490 3.610 20 30 GHEDRO CC(C)(C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1F ZINC001181191435 910601933 /nfs/dbraw/zinc/60/19/33/910601933.db2.gz OFBLKWBPGDQFFC-UHFFFAOYSA-N 1 0 397.469 3.917 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246784841 910635356 /nfs/dbraw/zinc/63/53/56/910635356.db2.gz MACZKTDFXNSBDC-LEWJYISDSA-N 1 0 381.451 3.614 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N(CC[NH3+])c1cccnc1 ZINC001181358159 910724408 /nfs/dbraw/zinc/72/44/08/910724408.db2.gz UYLZDSNTVDGYIQ-UHFFFAOYSA-N 1 0 390.572 3.753 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)c3ccncc3)CC2)CC1 ZINC000271061333 910772131 /nfs/dbraw/zinc/77/21/31/910772131.db2.gz GQVQHNHHVXMOTC-UHFFFAOYSA-N 1 0 388.515 3.680 20 30 GHEDRO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000271148538 910794451 /nfs/dbraw/zinc/79/44/51/910794451.db2.gz BOWMOKANCNMSDW-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO COC(=O)c1cc(C#N)cc(NC(=O)CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001182040619 911142526 /nfs/dbraw/zinc/14/25/26/911142526.db2.gz LCHVSRMZEGYIAD-UHFFFAOYSA-N 1 0 391.471 3.586 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1OCCCC#N ZINC000274303073 911297553 /nfs/dbraw/zinc/29/75/53/911297553.db2.gz SUDXNXRPSNSMEY-XHCCPWGMSA-N 1 0 386.517 3.587 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(OCc2ccccc2F)CC1 ZINC000091864073 911306978 /nfs/dbraw/zinc/30/69/78/911306978.db2.gz INCDYVYWWWRDTH-QGZVFWFLSA-N 1 0 387.499 3.538 20 30 GHEDRO COC(=O)c1scc(C#N)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182316790 911446938 /nfs/dbraw/zinc/44/69/38/911446938.db2.gz OMTPVYPJFNITGD-INIZCTEOSA-N 1 0 397.500 3.566 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283304412 911455978 /nfs/dbraw/zinc/45/59/78/911455978.db2.gz PGEFYGJDSYAPQT-UHFFFAOYSA-N 1 0 378.524 3.969 20 30 GHEDRO CCN1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801958123 921686728 /nfs/dbraw/zinc/68/67/28/921686728.db2.gz XKSHRULLUJEEQG-HBMCJLEFSA-N 1 0 387.886 3.809 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000284339481 911833591 /nfs/dbraw/zinc/83/35/91/911833591.db2.gz CLCIWGNQALOWNZ-UHFFFAOYSA-N 1 0 389.499 3.645 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1 ZINC000093009469 912004679 /nfs/dbraw/zinc/00/46/79/912004679.db2.gz LGGSOZFEFWUSOC-UHFFFAOYSA-N 1 0 380.488 3.693 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(C)c1Br)CC2 ZINC001275006592 912107990 /nfs/dbraw/zinc/10/79/90/912107990.db2.gz WTHMRVPORKQGSF-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO C=CCSCC(=O)N1CCC[C@@]2(C1)C[N@H+](C[C@@H](CC)CCCC)CCO2 ZINC001273477999 912114146 /nfs/dbraw/zinc/11/41/46/912114146.db2.gz KEKSZYZTKGVRCJ-FPOVZHCZSA-N 1 0 382.614 3.815 20 30 GHEDRO CC(C)CN1CC2(CCC1=O)CC[NH+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001275016451 912136259 /nfs/dbraw/zinc/13/62/59/912136259.db2.gz XUGVSOPUOUXSPA-UHFFFAOYSA-N 1 0 394.972 3.716 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1c(C)cn(Cc2ccccc2)c1C(=O)OCC ZINC001183027177 912200673 /nfs/dbraw/zinc/20/06/73/912200673.db2.gz KXHIVRLUWNBVEV-UHFFFAOYSA-N 1 0 395.503 3.612 20 30 GHEDRO C[C@@H]1[C@H](CC(=O)Nc2cn(C)nc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186938127 914885766 /nfs/dbraw/zinc/88/57/66/914885766.db2.gz WCEIRZKVORCKRU-YLJYHZDGSA-N 1 0 399.498 3.730 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc(OC)c1O ZINC000291127726 914994603 /nfs/dbraw/zinc/99/46/03/914994603.db2.gz VXVLEMNIZZZTQK-INIZCTEOSA-N 1 0 395.503 3.900 20 30 GHEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)N(C)C)cc1OC ZINC000303775003 915120819 /nfs/dbraw/zinc/12/08/19/915120819.db2.gz GLWKVNFKTFJBPD-LJQANCHMSA-N 1 0 384.524 3.857 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000303780132 915125572 /nfs/dbraw/zinc/12/55/72/915125572.db2.gz LBPWXFZEWYRSIN-GOSISDBHSA-N 1 0 380.536 3.959 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008396 921747811 /nfs/dbraw/zinc/74/78/11/921747811.db2.gz DIXSDOSDZLICMB-QFIPXVFZSA-N 1 0 385.508 3.790 20 30 GHEDRO COc1ccc(CC2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)cc1 ZINC000303819506 915156035 /nfs/dbraw/zinc/15/60/35/915156035.db2.gz JULGBIIWEGGRBZ-UHFFFAOYSA-N 1 0 380.488 3.909 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc3ccc(Br)cc3[nH]2)C1=O ZINC001275598508 915206379 /nfs/dbraw/zinc/20/63/79/915206379.db2.gz QFRNMRLLGPCBOT-IBGZPJMESA-N 1 0 388.309 3.683 20 30 GHEDRO [NH2+]=C(NCc1ccccc1-n1cccn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303902929 915305190 /nfs/dbraw/zinc/30/51/90/915305190.db2.gz YCAATFAAPIWCEF-UHFFFAOYSA-N 1 0 375.354 3.698 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498454 915308061 /nfs/dbraw/zinc/30/80/61/915308061.db2.gz HKQKKDIYSZAEBO-ZBFHGGJFSA-N 1 0 383.330 3.582 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCC(C)(C)c2ccccc2Cl)cc1OC ZINC000303972022 915343416 /nfs/dbraw/zinc/34/34/16/915343416.db2.gz FKBQIUCULXPCBF-UHFFFAOYSA-N 1 0 375.900 3.739 20 30 GHEDRO COc1ccc(COCCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000303991479 915350066 /nfs/dbraw/zinc/35/00/66/915350066.db2.gz ZLOFSTYHXROWGL-UHFFFAOYSA-N 1 0 397.397 3.927 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3c(F)cc(Cl)cc3F)C2)C1=O ZINC001275635953 915498667 /nfs/dbraw/zinc/49/86/67/915498667.db2.gz AOGFZXOZYMPYLJ-LJQANCHMSA-N 1 0 382.838 3.535 20 30 GHEDRO [NH2+]=C(NCc1ccc(-n2ccnc2)nc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304481249 915523448 /nfs/dbraw/zinc/52/34/48/915523448.db2.gz JNCZILGVVSLZDY-UHFFFAOYSA-N 1 0 384.443 3.986 20 30 GHEDRO C#Cc1cccc(NC(=O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304501016 915526189 /nfs/dbraw/zinc/52/61/89/915526189.db2.gz PGPCESQXBYYJQX-UHFFFAOYSA-N 1 0 384.439 3.826 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)C(C(=S)NC2CCC2)[n+]2cccc(CO)c2)cc1 ZINC000292278797 915596744 /nfs/dbraw/zinc/59/67/44/915596744.db2.gz HWGTVIRUGAWWPD-UHFFFAOYSA-O 1 0 397.564 3.845 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC2CCC2)cc1 ZINC000292307464 915611834 /nfs/dbraw/zinc/61/18/34/915611834.db2.gz KYYFYVCIHPRULG-UHFFFAOYSA-O 1 0 375.464 3.896 20 30 GHEDRO C[C@H](NC(=[NH2+])NCC1(C(=O)N(C)C)CCCC1)c1ccc(Cl)cc1Cl ZINC000304742233 915669111 /nfs/dbraw/zinc/66/91/11/915669111.db2.gz COKUFCRLPVZHPD-LBPRGKRZSA-N 1 0 385.339 3.607 20 30 GHEDRO [NH2+]=C(NCCc1cccs1)NCC1(c2ccccc2Br)CC1 ZINC000304756585 915672668 /nfs/dbraw/zinc/67/26/68/915672668.db2.gz NVMLEYSDUQORPI-UHFFFAOYSA-N 1 0 378.339 3.689 20 30 GHEDRO COc1cccc(C2(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)CCCC2)c1 ZINC000304760654 915698728 /nfs/dbraw/zinc/69/87/28/915698728.db2.gz STRUOKLHSLPQIR-HXUWFJFHSA-N 1 0 379.504 3.935 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCC(C)(C)c2ccc(F)cc2Cl)cc1OC ZINC000304763312 915700323 /nfs/dbraw/zinc/70/03/23/915700323.db2.gz WPYMBNGCPDBCQX-UHFFFAOYSA-N 1 0 393.890 3.878 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000304984579 915817434 /nfs/dbraw/zinc/81/74/34/915817434.db2.gz ASTRJWIXNAFRRE-KRWDZBQOSA-N 1 0 382.508 3.519 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000292869256 915881716 /nfs/dbraw/zinc/88/17/16/915881716.db2.gz SIBXTWOZGMVKRM-ZFWWWQNUSA-N 1 0 376.298 3.792 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H](O)c3cc4ccccc4o3)CC2)c1 ZINC000292914385 915902169 /nfs/dbraw/zinc/90/21/69/915902169.db2.gz XJRJEIROQYHSKZ-HXUWFJFHSA-N 1 0 389.455 3.689 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3CC[C@@H](Oc4ccc(Cl)cc4)C3)o2)cc1 ZINC000292967791 915926685 /nfs/dbraw/zinc/92/66/85/915926685.db2.gz GGNZNRXJMQNIDD-GOSISDBHSA-N 1 0 380.835 3.915 20 30 GHEDRO CCCCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000775160541 915957166 /nfs/dbraw/zinc/95/71/66/915957166.db2.gz HEXAEYZXSKPHOI-INIZCTEOSA-N 1 0 379.460 3.804 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3ccc(Cl)s3)C2)C1=O ZINC001275691692 916030208 /nfs/dbraw/zinc/03/02/08/916030208.db2.gz VGEYLQKFNCJZIX-GHTZIAJQSA-N 1 0 384.932 3.853 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC001190135703 917120282 /nfs/dbraw/zinc/12/02/82/917120282.db2.gz JGVXUFBPTFJHJX-INIZCTEOSA-N 1 0 397.953 3.635 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001190216132 917201555 /nfs/dbraw/zinc/20/15/55/917201555.db2.gz DNNZYFJJJCTIOO-GGAORHGYSA-N 1 0 394.490 3.922 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(Br)c(F)c3)C2)C1=O ZINC001275782441 917231537 /nfs/dbraw/zinc/23/15/37/917231537.db2.gz VRNQRCMFWBWOMY-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO COc1cccc(CN(C(=O)c2cccc(C#N)c2F)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001190554794 917406594 /nfs/dbraw/zinc/40/65/94/917406594.db2.gz LNKZIQXZAPNEAH-IYARVYRRSA-N 1 0 381.451 3.618 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000775398918 917439196 /nfs/dbraw/zinc/43/91/96/917439196.db2.gz NYUXANGRXBLDGM-NRFANRHFSA-N 1 0 389.499 3.652 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000775398889 917439307 /nfs/dbraw/zinc/43/93/07/917439307.db2.gz NEARIEAEXCCTSL-YYDVJCTNSA-N 1 0 391.515 3.593 20 30 GHEDRO CCCCCCCNC(=O)N1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001191093349 917779478 /nfs/dbraw/zinc/77/94/78/917779478.db2.gz IRUHCTSTMDBWBP-UHFFFAOYSA-N 1 0 375.561 3.531 20 30 GHEDRO CCCC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H](C)c1ccccc1 ZINC001191164569 917795497 /nfs/dbraw/zinc/79/54/97/917795497.db2.gz GNUKAELKEGGHOF-UNMCSNQZSA-N 1 0 384.568 3.542 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC001191918068 918296931 /nfs/dbraw/zinc/29/69/31/918296931.db2.gz DNIBPHLCFUFLLV-XLIONFOSSA-N 1 0 381.426 3.573 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000114751815 919415604 /nfs/dbraw/zinc/41/56/04/919415604.db2.gz WRSBYFMNTHCAHE-IIBYNOLFSA-N 1 0 395.528 3.753 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)c2)cc1 ZINC000115373538 919449921 /nfs/dbraw/zinc/44/99/21/919449921.db2.gz TWJLJUASEZMVNQ-OAQYLSRUSA-N 1 0 389.499 3.884 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)c2)c1 ZINC000115373518 919450772 /nfs/dbraw/zinc/45/07/72/919450772.db2.gz MGCZOOKJPGHKTC-NRFANRHFSA-N 1 0 389.499 3.884 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000119443466 919630767 /nfs/dbraw/zinc/63/07/67/919630767.db2.gz SOLRFWUXUKBDBD-CQSZACIVSA-N 1 0 394.924 3.745 20 30 GHEDRO N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)s2)cc1 ZINC000900317487 920175461 /nfs/dbraw/zinc/17/54/61/920175461.db2.gz NBISLJIIRMPKQD-HZPDHXFCSA-N 1 0 399.545 3.657 20 30 GHEDRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000900345657 920228921 /nfs/dbraw/zinc/22/89/21/920228921.db2.gz YXNKPGGPRDCHOJ-UHFFFAOYSA-N 1 0 392.503 3.705 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C1=O ZINC001275965790 920341138 /nfs/dbraw/zinc/34/11/38/920341138.db2.gz OCLQVRDQKLRIOF-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000800902270 920583271 /nfs/dbraw/zinc/58/32/71/920583271.db2.gz YQMVHTLMALDGBV-KRWDZBQOSA-N 1 0 383.879 3.748 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Br)c(C)c1 ZINC001275978667 920662624 /nfs/dbraw/zinc/66/26/24/920662624.db2.gz XJXSLQKCWRYLFU-IBGZPJMESA-N 1 0 377.326 3.901 20 30 GHEDRO N#CCCCn1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000365464649 920823656 /nfs/dbraw/zinc/82/36/56/920823656.db2.gz VBDTUPGWQZUNQW-IBGZPJMESA-N 1 0 378.520 3.893 20 30 GHEDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000802442975 922107854 /nfs/dbraw/zinc/10/78/54/922107854.db2.gz HUIVVXBSEVKUEY-UHFFFAOYSA-N 1 0 384.911 3.528 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902877524 922575081 /nfs/dbraw/zinc/57/50/81/922575081.db2.gz UZWIUOGSHRZYKT-IAGOWNOFSA-N 1 0 380.492 3.660 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000903442570 923031668 /nfs/dbraw/zinc/03/16/68/923031668.db2.gz RJBBVPWFCYFPOV-NSISKUIASA-N 1 0 399.535 3.554 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000748803201 923852675 /nfs/dbraw/zinc/85/26/75/923852675.db2.gz SSFNMRYRMJTQPT-FQEVSTJZSA-N 1 0 382.552 3.581 20 30 GHEDRO COc1cccc(O)c1/C=N\CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000749008297 923973505 /nfs/dbraw/zinc/97/35/05/923973505.db2.gz USMFUBZYOVLVJM-ULJHMMPZSA-N 1 0 382.504 3.891 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1O2 ZINC000370580122 924185289 /nfs/dbraw/zinc/18/52/89/924185289.db2.gz QGJVRVOAGRHMOS-LJQANCHMSA-N 1 0 395.890 3.930 20 30 GHEDRO N#CC1(NC(=O)c2cc(F)c(Cl)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000371544864 924652726 /nfs/dbraw/zinc/65/27/26/924652726.db2.gz SEWHTYAOYKTDIK-UHFFFAOYSA-N 1 0 389.833 3.906 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)cc1OC ZINC000678215259 924669381 /nfs/dbraw/zinc/66/93/81/924669381.db2.gz VDPVFKIQWGCVQK-UHFFFAOYSA-N 1 0 386.536 3.921 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000409631303 924828923 /nfs/dbraw/zinc/82/89/23/924828923.db2.gz ODYALYLTEVMNBW-LJQANCHMSA-N 1 0 390.478 3.601 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c2ccccc21 ZINC000678640569 924863206 /nfs/dbraw/zinc/86/32/06/924863206.db2.gz PSVFNMHLNCKTHR-MOPGFXCFSA-N 1 0 379.504 3.876 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)n2)c1 ZINC000409681549 924883053 /nfs/dbraw/zinc/88/30/53/924883053.db2.gz ASUDRVYLRNAAMQ-OAQYLSRUSA-N 1 0 391.519 3.518 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372213680 925251803 /nfs/dbraw/zinc/25/18/03/925251803.db2.gz XQGATSIKCISLGJ-SJLPKXTDSA-N 1 0 387.549 3.625 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000680971685 925673229 /nfs/dbraw/zinc/67/32/29/925673229.db2.gz NGGSWZNEZPFNFJ-LJQANCHMSA-N 1 0 394.515 3.997 20 30 GHEDRO N#C[C@H]1N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCC[C@]12CCCCO2 ZINC000373374856 926062832 /nfs/dbraw/zinc/06/28/32/926062832.db2.gz CLIDCHBFJJSTBJ-FYYLOGMGSA-N 1 0 381.520 3.740 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373432966 926119815 /nfs/dbraw/zinc/11/98/15/926119815.db2.gz SXWUFOUSDNNTCQ-UHFFFAOYSA-N 1 0 380.414 3.794 20 30 GHEDRO CSc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000411242891 926239462 /nfs/dbraw/zinc/23/94/62/926239462.db2.gz XPYWHUKVNWHCFB-SFHVURJKSA-N 1 0 398.528 3.563 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CCOCC1 ZINC000411477521 926433236 /nfs/dbraw/zinc/43/32/36/926433236.db2.gz IKSPMHCAHBPJMR-KDOFPFPSSA-N 1 0 389.565 3.868 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1O ZINC000725785788 926436914 /nfs/dbraw/zinc/43/69/14/926436914.db2.gz AIIZDGHSEOHMKE-QGZVFWFLSA-N 1 0 388.552 3.892 20 30 GHEDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000411513018 926469297 /nfs/dbraw/zinc/46/92/97/926469297.db2.gz OAJNQJZXPXXFSU-INIZCTEOSA-N 1 0 387.505 3.570 20 30 GHEDRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC000726441045 926664401 /nfs/dbraw/zinc/66/44/01/926664401.db2.gz KNTAHLMXNUUOOL-QGZVFWFLSA-N 1 0 376.888 3.940 20 30 GHEDRO CCC(CC)(CCO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411697582 926670937 /nfs/dbraw/zinc/67/09/37/926670937.db2.gz RSVAPOKDNPSBHC-CQSZACIVSA-N 1 0 377.554 3.604 20 30 GHEDRO CCC[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCOC1 ZINC000411723750 926692615 /nfs/dbraw/zinc/69/26/15/926692615.db2.gz XQJRGWVFANNSBB-JLTOFOAXSA-N 1 0 375.538 3.622 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411731576 926708503 /nfs/dbraw/zinc/70/85/03/926708503.db2.gz QYDJKHUCLSODMS-VLCRHTCISA-N 1 0 377.488 3.828 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccn1 ZINC000411741129 926716361 /nfs/dbraw/zinc/71/63/61/926716361.db2.gz PJWDCVGTWAVNKS-UONOGXRCSA-N 1 0 398.532 3.828 20 30 GHEDRO CC(C)CC[NH+](CCC(C)C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000726585297 926744696 /nfs/dbraw/zinc/74/46/96/926744696.db2.gz ZGPHEHJJLNQVJL-UHFFFAOYSA-N 1 0 384.524 3.674 20 30 GHEDRO CCCC[N@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)C1CCCCC1 ZINC000726589437 926745600 /nfs/dbraw/zinc/74/56/00/926745600.db2.gz MOPPOFRYZYEDLJ-UHFFFAOYSA-N 1 0 382.508 3.715 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000726596405 926749366 /nfs/dbraw/zinc/74/93/66/926749366.db2.gz KPWZBDAFRWSSEK-UHFFFAOYSA-N 1 0 398.551 3.717 20 30 GHEDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000411808702 926803885 /nfs/dbraw/zinc/80/38/85/926803885.db2.gz SKBLNNACYXITPQ-IAGOWNOFSA-N 1 0 375.538 3.619 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C1(CO)CCCC1 ZINC000411813113 926812658 /nfs/dbraw/zinc/81/26/58/926812658.db2.gz CIODIBXSDBSOAT-IBGZPJMESA-N 1 0 389.565 3.604 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000726797815 926859044 /nfs/dbraw/zinc/85/90/44/926859044.db2.gz ZBQJNXKSERWBLV-UHFFFAOYSA-N 1 0 377.488 3.895 20 30 GHEDRO COC1([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCC1 ZINC000412020753 927017255 /nfs/dbraw/zinc/01/72/55/927017255.db2.gz JVKBCMKMPZOUMS-SFHVURJKSA-N 1 0 394.519 3.511 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000412074959 927063975 /nfs/dbraw/zinc/06/39/75/927063975.db2.gz RMVPZBAWFISPPU-KRWDZBQOSA-N 1 0 396.491 3.942 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)o2)c1 ZINC000749503637 927155829 /nfs/dbraw/zinc/15/58/29/927155829.db2.gz NEAUKJPZFZUDRR-WOJBJXKFSA-N 1 0 392.434 3.835 20 30 GHEDRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000749551467 927184596 /nfs/dbraw/zinc/18/45/96/927184596.db2.gz NWTLWNFRCLJEOI-GKVQRAMASA-N 1 0 392.547 3.528 20 30 GHEDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000750038231 927400206 /nfs/dbraw/zinc/40/02/06/927400206.db2.gz JGAZPGLELCHNMU-QGZVFWFLSA-N 1 0 387.405 3.803 20 30 GHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000751049261 928002401 /nfs/dbraw/zinc/00/24/01/928002401.db2.gz MDBLBEXIWRJLRF-UHFFFAOYSA-N 1 0 395.956 3.535 20 30 GHEDRO Cc1cc(C(F)(F)F)c(C#N)c(SCCCN2CC[NH+](C(C)C)CC2)n1 ZINC000412990200 928080354 /nfs/dbraw/zinc/08/03/54/928080354.db2.gz PEYSZNUJJJGZDD-UHFFFAOYSA-N 1 0 386.487 3.789 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000751559032 928248429 /nfs/dbraw/zinc/24/84/29/928248429.db2.gz NGQMJHVACWSIEA-VXKWHMMOSA-N 1 0 377.488 3.865 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000751559465 928250091 /nfs/dbraw/zinc/25/00/91/928250091.db2.gz XGDGNMONWLQPTD-CQOQZXRMSA-N 1 0 394.515 3.666 20 30 GHEDRO Cc1cc(C#N)cc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)n1 ZINC000413320413 928434539 /nfs/dbraw/zinc/43/45/39/928434539.db2.gz FVEAMEPJRBGRBU-UHFFFAOYSA-N 1 0 395.938 3.706 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)nc(C(F)F)n2C)C(C)C ZINC000467282656 928912812 /nfs/dbraw/zinc/91/28/12/928912812.db2.gz CLQSKDFKTGCNKV-SFHVURJKSA-N 1 0 390.478 3.939 20 30 GHEDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467296956 928931086 /nfs/dbraw/zinc/93/10/86/928931086.db2.gz LBFJVTNQCIGECM-HOTGVXAUSA-N 1 0 389.565 3.964 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000467297656 928931653 /nfs/dbraw/zinc/93/16/53/928931653.db2.gz IOGGLLKJEVXFQF-HOTGVXAUSA-N 1 0 389.565 3.822 20 30 GHEDRO COc1ccc(C(C)=Nn2cc(Br)cn2)cc1C[NH+]1CCCCC1 ZINC000752748666 929005144 /nfs/dbraw/zinc/00/51/44/929005144.db2.gz ZDCGNQAQNGPEEW-UHFFFAOYSA-N 1 0 391.313 3.912 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000544355448 929086034 /nfs/dbraw/zinc/08/60/34/929086034.db2.gz GUWQESKEANPRKF-HNAYVOBHSA-N 1 0 380.479 3.978 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](c3ccccc3)c3cncnc3)C2)c(F)c1 ZINC000544567176 929293952 /nfs/dbraw/zinc/29/39/52/929293952.db2.gz QCCHOSOONVQNEY-OFNKIYASSA-N 1 0 387.462 3.835 20 30 GHEDRO CC[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757098605 929637859 /nfs/dbraw/zinc/63/78/59/929637859.db2.gz OSKPDCYQIQWJJU-AZUAARDMSA-N 1 0 387.524 3.952 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000758190609 929967457 /nfs/dbraw/zinc/96/74/57/929967457.db2.gz IROZYZBUCAJYGB-VQIMIIECSA-N 1 0 388.471 3.643 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 ZINC000546645241 930322287 /nfs/dbraw/zinc/32/22/87/930322287.db2.gz KEYCBWHEDCJAKB-UHFFFAOYSA-N 1 0 384.549 3.650 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000759326307 930342571 /nfs/dbraw/zinc/34/25/71/930342571.db2.gz RVXCHDVBSPVOPO-QGZVFWFLSA-N 1 0 382.485 3.563 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780364746 930500254 /nfs/dbraw/zinc/50/02/54/930500254.db2.gz GSMISWOBUFBLSK-FXAWDEMLSA-N 1 0 398.466 3.625 20 30 GHEDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(C#N)s3)nc12 ZINC000546934270 930541596 /nfs/dbraw/zinc/54/15/96/930541596.db2.gz CMHYAVFIRILRCP-UHFFFAOYSA-N 1 0 375.295 3.671 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000780579554 930551966 /nfs/dbraw/zinc/55/19/66/930551966.db2.gz DAYYROPOTYGRCN-GUYCJALGSA-N 1 0 375.818 3.925 20 30 GHEDRO CN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470657461 930793334 /nfs/dbraw/zinc/79/33/34/930793334.db2.gz NNHFGJWFHGMAMS-JOCHJYFZSA-N 1 0 393.556 3.914 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cnc2ccccc2c1 ZINC000470940899 931047612 /nfs/dbraw/zinc/04/76/12/931047612.db2.gz RBPPXYOTSXCWBD-UHFFFAOYSA-N 1 0 386.499 3.629 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782230993 931130883 /nfs/dbraw/zinc/13/08/83/931130883.db2.gz JKAAXUAMQGDVGO-SBUREZEXSA-N 1 0 389.499 3.656 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000924390145 931347980 /nfs/dbraw/zinc/34/79/80/931347980.db2.gz HAZVYHLWAXGOMK-UHFFFAOYSA-N 1 0 394.519 3.528 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCCCCCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000782987128 931379347 /nfs/dbraw/zinc/37/93/47/931379347.db2.gz INCFFOPCOFUAPV-UHFFFAOYSA-N 1 0 387.483 3.994 20 30 GHEDRO Cc1ccc(C2CC[NH+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)cn1 ZINC000783020552 931386783 /nfs/dbraw/zinc/38/67/83/931386783.db2.gz PYTIRMOHCBCGCF-HXUWFJFHSA-N 1 0 397.482 3.807 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccccc1CO ZINC000924761870 931528174 /nfs/dbraw/zinc/52/81/74/931528174.db2.gz VQHCATXHELUTRV-KRWDZBQOSA-N 1 0 387.524 3.588 20 30 GHEDRO Cc1noc(C)c1C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924780456 931535872 /nfs/dbraw/zinc/53/58/72/931535872.db2.gz GHMZUGMOSPQBPN-AWEZNQCLSA-N 1 0 376.501 3.701 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H](O)c1ccsc1 ZINC000925111620 931650556 /nfs/dbraw/zinc/65/05/56/931650556.db2.gz RZFKCBYCRDUCLK-NVXWUHKLSA-N 1 0 393.553 3.691 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784503400 931916114 /nfs/dbraw/zinc/91/61/14/931916114.db2.gz CFULNJZNMFWMNG-YTQUADARSA-N 1 0 385.508 3.692 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)COCc1ccccc1 ZINC000558569557 932079599 /nfs/dbraw/zinc/07/95/99/932079599.db2.gz ORVQFDKIHQMKEG-SFHVURJKSA-N 1 0 378.394 3.587 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000796821383 932079711 /nfs/dbraw/zinc/07/97/11/932079711.db2.gz UOZBAYXWRGGKSL-FQEVSTJZSA-N 1 0 389.421 3.869 20 30 GHEDRO C=CCSc1ccccc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000926245248 932096921 /nfs/dbraw/zinc/09/69/21/932096921.db2.gz UHWIAAUQYUUSQI-RMEPHLEKSA-N 1 0 388.577 3.564 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000796947240 932118518 /nfs/dbraw/zinc/11/85/18/932118518.db2.gz JGWYGSKQRHJTIY-LJQANCHMSA-N 1 0 398.551 3.906 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000796991833 932138611 /nfs/dbraw/zinc/13/86/11/932138611.db2.gz XUOFYZKVMLMDJE-OWQGQXMQSA-N 1 0 393.915 3.620 20 30 GHEDRO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000558737540 932202338 /nfs/dbraw/zinc/20/23/38/932202338.db2.gz CTYHKPUDAQLQFK-ZDUSSCGKSA-N 1 0 399.516 3.957 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccnn1CC1CCC1 ZINC000926662471 932265714 /nfs/dbraw/zinc/26/57/14/932265714.db2.gz RLXYQDGXAFACDI-SFHVURJKSA-N 1 0 377.536 3.870 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)CC1 ZINC000558853312 932275514 /nfs/dbraw/zinc/27/55/14/932275514.db2.gz ITSYSUKQKDAILS-UHFFFAOYSA-N 1 0 398.429 3.740 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCOC1(C)C ZINC000926726015 932283715 /nfs/dbraw/zinc/28/37/15/932283715.db2.gz FRBBNYYCJMPHDI-DLBZAZTESA-N 1 0 379.545 3.711 20 30 GHEDRO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000926784607 932305884 /nfs/dbraw/zinc/30/58/84/932305884.db2.gz FRLRJLUQIFDYDW-WAIKUNEKSA-N 1 0 394.494 3.522 20 30 GHEDRO C[NH+]1CCC2(CCCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)CC1 ZINC000798404089 932632809 /nfs/dbraw/zinc/63/28/09/932632809.db2.gz CTMNFNGKNSWYLW-UHFFFAOYSA-N 1 0 377.536 3.796 20 30 GHEDRO C[C@]1(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000798469162 932658383 /nfs/dbraw/zinc/65/83/83/932658383.db2.gz NKGXKEWEPXXLBE-LADGPHEKSA-N 1 0 388.515 3.757 20 30 GHEDRO C[C@]1(CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798483732 932666549 /nfs/dbraw/zinc/66/65/49/932666549.db2.gz LHMFEMFAIBUZRJ-HSZRJFAPSA-N 1 0 388.515 3.759 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798527013 932691297 /nfs/dbraw/zinc/69/12/97/932691297.db2.gz YTSLFMYQWHOVHI-DEOSSOPVSA-N 1 0 394.515 3.902 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000559597267 932749249 /nfs/dbraw/zinc/74/92/49/932749249.db2.gz MVNDLRYUXZUDBR-KRWDZBQOSA-N 1 0 388.512 3.803 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799226668 932925116 /nfs/dbraw/zinc/92/51/16/932925116.db2.gz HJFACYLEDRRGTL-JOCHJYFZSA-N 1 0 378.476 3.601 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)/C=C/c1ccccc1C#N ZINC000799761743 933109597 /nfs/dbraw/zinc/10/95/97/933109597.db2.gz BRKWEZAVKWFAGC-BUHFOSPRSA-N 1 0 387.487 3.902 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1N1CC[NH+](C)CC1 ZINC001115896970 933235307 /nfs/dbraw/zinc/23/53/07/933235307.db2.gz PRLKKYXQPKIPQN-KRWDZBQOSA-N 1 0 377.492 3.501 20 30 GHEDRO CC(=O)C1C(C)=NC(C(=O)C(C(=S)NCC2CCC2)[n+]2ccccc2)=C1C ZINC001115968823 933263135 /nfs/dbraw/zinc/26/31/35/933263135.db2.gz VWXYOLPRQGRERV-UHFFFAOYSA-O 1 0 384.525 3.569 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001116044970 933303289 /nfs/dbraw/zinc/30/32/89/933303289.db2.gz PHLJDXFFEQFFEQ-MOPGFXCFSA-N 1 0 379.464 3.740 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000560972635 933744031 /nfs/dbraw/zinc/74/40/31/933744031.db2.gz VZUUWMDSKLZVSB-MGPUTAFESA-N 1 0 394.475 3.894 20 30 GHEDRO N#CC1(CCCC[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CCC1 ZINC000930096779 933830864 /nfs/dbraw/zinc/83/08/64/933830864.db2.gz UTALPMLBXOFIJC-UHFFFAOYSA-N 1 0 388.943 3.760 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000561132857 933899222 /nfs/dbraw/zinc/89/92/22/933899222.db2.gz VDGISPJSHPYBBA-VFNWGFHPSA-N 1 0 383.517 3.537 20 30 GHEDRO CCOC(=O)c1cnc(N=NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1C ZINC000777890448 933988496 /nfs/dbraw/zinc/98/84/96/933988496.db2.gz RJZZYPMBESAJHE-KDURUIRLSA-N 1 0 393.491 3.557 20 30 GHEDRO CSc1ccc([C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)N(C)C)cc1 ZINC001118090491 934088564 /nfs/dbraw/zinc/08/85/64/934088564.db2.gz LHFYLEQUJKWBKK-FQEVSTJZSA-N 1 0 382.533 3.501 20 30 GHEDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(Br)cc1C#N ZINC001118213145 934110308 /nfs/dbraw/zinc/11/03/08/934110308.db2.gz DLRBEYVGIONYQU-UHFFFAOYSA-N 1 0 386.293 3.655 20 30 GHEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000930807109 934253775 /nfs/dbraw/zinc/25/37/75/934253775.db2.gz JMBKFEXIOCJSDA-FQEVSTJZSA-N 1 0 389.540 3.610 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000931060231 934355645 /nfs/dbraw/zinc/35/56/45/934355645.db2.gz RPGKLFFSWCKAAC-HXUWFJFHSA-N 1 0 384.568 3.782 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1 ZINC001120366318 934459215 /nfs/dbraw/zinc/45/92/15/934459215.db2.gz SIBWMFLYGAZGBF-SQWLQELKSA-N 1 0 380.414 3.771 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1 ZINC000561960271 934586882 /nfs/dbraw/zinc/58/68/82/934586882.db2.gz QHXXGHJVTVDQTD-UHFFFAOYSA-N 1 0 376.435 3.997 20 30 GHEDRO C=CCn1c(-c2cccc3ocnc32)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121553970 934695599 /nfs/dbraw/zinc/69/55/99/934695599.db2.gz VVSBVNJJPPTGFN-QGZVFWFLSA-N 1 0 392.507 3.585 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NC(=O)OCC)cc2Cl)CC1 ZINC000932142723 934833325 /nfs/dbraw/zinc/83/33/25/934833325.db2.gz HDMPNUPNNKUQIA-UHFFFAOYSA-N 1 0 379.888 3.679 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C(C)(C)C)[nH]n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122488268 934881498 /nfs/dbraw/zinc/88/14/98/934881498.db2.gz UGXLCCICKNRBKL-UHFFFAOYSA-N 1 0 385.560 3.509 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C)cc1 ZINC001122499946 934883912 /nfs/dbraw/zinc/88/39/12/934883912.db2.gz QCYGATCNMXNIOY-SIKLNZKXSA-N 1 0 390.483 3.835 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001122627567 934925983 /nfs/dbraw/zinc/92/59/83/934925983.db2.gz ZKFFVBVFBMDRBX-IAGOWNOFSA-N 1 0 381.515 3.925 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(CC#N)c3)n2CC2CC2)C1 ZINC001123628998 935241071 /nfs/dbraw/zinc/24/10/71/935241071.db2.gz KVBAKNBUQXRULZ-HXUWFJFHSA-N 1 0 392.551 3.589 20 30 GHEDRO N#CCCC[C@H](NC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC001123733329 935270952 /nfs/dbraw/zinc/27/09/52/935270952.db2.gz ICRKAAVVVBFLRD-NRFANRHFSA-N 1 0 377.492 3.785 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3SCc3ccc(C#N)cc3)[C@H]2C1 ZINC001124024756 935331236 /nfs/dbraw/zinc/33/12/36/935331236.db2.gz CNXCKQHJMMQQCE-JBACZVJFSA-N 1 0 391.540 3.921 20 30 GHEDRO CCN(CCC#N)Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC001137589022 935605712 /nfs/dbraw/zinc/60/57/12/935605712.db2.gz XYYORRHQYLNTNN-UHFFFAOYSA-N 1 0 381.501 3.922 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)c(C)c3)C2)C1=O ZINC001137614078 935628463 /nfs/dbraw/zinc/62/84/63/935628463.db2.gz KPQOUZQTGPMDJU-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-n3cccn3)cc1)[C@@H]2CC ZINC001137757116 935773934 /nfs/dbraw/zinc/77/39/34/935773934.db2.gz UTQXQJSTOFUGJF-GGAORHGYSA-N 1 0 378.520 3.794 20 30 GHEDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137902509 935856322 /nfs/dbraw/zinc/85/63/22/935856322.db2.gz GCJRRMUDTSIMDA-HXUWFJFHSA-N 1 0 376.504 3.626 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1 ZINC001137902396 935856330 /nfs/dbraw/zinc/85/63/30/935856330.db2.gz AOJZICPKBUSOKU-UHFFFAOYSA-N 1 0 390.487 3.791 20 30 GHEDRO Cc1ccnc(N2CC[NH+](Cc3ccc(N(C)c4ccc(C#N)cc4)cc3)CC2)n1 ZINC001137904147 935857495 /nfs/dbraw/zinc/85/74/95/935857495.db2.gz OTGCOKHTUIVLIW-UHFFFAOYSA-N 1 0 398.514 3.747 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(CN2CC[NH+](CCC(C)(C)O)CC2)cc1 ZINC001137904163 935857735 /nfs/dbraw/zinc/85/77/35/935857735.db2.gz PLCLSARYPMSLSM-UHFFFAOYSA-N 1 0 392.547 3.605 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NC1c2ccccc2Oc2ccccc21 ZINC001220722364 1032082719 /nfs/dbraw/zinc/08/27/19/1032082719.db2.gz YGSLYJNJPDTKTJ-SFHVURJKSA-N 1 0 383.451 3.830 20 30 GHEDRO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC001625983162 1014633944 /nfs/dbraw/zinc/63/39/44/1014633944.db2.gz ZOSKUMGAGKNQPZ-SEYXRHQNSA-N 1 0 377.488 3.515 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C1CC1 ZINC000411960352 1015066231 /nfs/dbraw/zinc/06/62/31/1015066231.db2.gz YXGBVCMENCUMAR-YWZLYKJASA-N 1 0 377.916 3.688 20 30 GHEDRO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220770420 1032111945 /nfs/dbraw/zinc/11/19/45/1032111945.db2.gz WXIRPNSTLLKAEF-UNMCSNQZSA-N 1 0 388.515 3.827 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC000468230952 1015458466 /nfs/dbraw/zinc/45/84/66/1015458466.db2.gz ORARGSUBFKIZKK-UHFFFAOYSA-N 1 0 387.443 3.807 20 30 GHEDRO COC(=O)CN1CCC([NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000468517164 1015770155 /nfs/dbraw/zinc/77/01/55/1015770155.db2.gz KZRMLVKGHXMXJA-QGZVFWFLSA-N 1 0 377.488 3.513 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC000545721318 1016296352 /nfs/dbraw/zinc/29/63/52/1016296352.db2.gz UYQNTLVQTKMLEU-INIZCTEOSA-N 1 0 389.459 3.500 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cc(F)cc(Br)c1 ZINC000469079136 1016428648 /nfs/dbraw/zinc/42/86/48/1016428648.db2.gz SQZFBOGRAOCRGL-NHYWBVRUSA-N 1 0 382.277 3.580 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001220943233 1032200828 /nfs/dbraw/zinc/20/08/28/1032200828.db2.gz XNFWFJMZKAXGHV-FQEVSTJZSA-N 1 0 397.469 3.735 20 30 GHEDRO C=CCOc1ccc(C(=O)NCC2(Cc3ccc(F)cc3)CC[NH2+]CC2)cc1 ZINC001220980566 1032220840 /nfs/dbraw/zinc/22/08/40/1032220840.db2.gz IZILDEZYMLJZPR-UHFFFAOYSA-N 1 0 382.479 3.733 20 30 GHEDRO C=CCN1CC[C@]2(CCCN2Cc2c(SC(C)C)nc3sccn23)C1=O ZINC001277175673 1032243569 /nfs/dbraw/zinc/24/35/69/1032243569.db2.gz KJFFCNLXFQFEAM-LJQANCHMSA-N 1 0 390.578 3.649 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@H]3CCC[C@H]([NH3+])C3)c(Cl)nn2)c1 ZINC001154989346 1032369937 /nfs/dbraw/zinc/36/99/37/1032369937.db2.gz NQDSWOAHRGAIDI-KBPBESRZSA-N 1 0 377.826 3.577 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@@H]3CCC[C@H]([NH3+])C3)c(Cl)nn2)c1 ZINC001154989348 1032370073 /nfs/dbraw/zinc/37/00/73/1032370073.db2.gz NQDSWOAHRGAIDI-UONOGXRCSA-N 1 0 377.826 3.577 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC001221389375 1032392415 /nfs/dbraw/zinc/39/24/15/1032392415.db2.gz KSJZAUZCTGHNNG-SFHVURJKSA-N 1 0 375.925 3.745 20 30 GHEDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc3cc(C#N)c(=O)oc3c2)C1 ZINC001227383895 1032398012 /nfs/dbraw/zinc/39/80/12/1032398012.db2.gz UIUVBWBCGMJAFX-DNVCBOLYSA-N 1 0 375.428 3.664 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001155453996 1032549006 /nfs/dbraw/zinc/54/90/06/1032549006.db2.gz NCAPYGKDZNVIQA-MRXNPFEDSA-N 1 0 375.451 3.782 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cccc3c2CCCO3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001155612077 1032599854 /nfs/dbraw/zinc/59/98/54/1032599854.db2.gz WYXFJXUQAGKDED-MXVIHJGJSA-N 1 0 389.499 3.796 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000558074081 1017108935 /nfs/dbraw/zinc/10/89/35/1017108935.db2.gz BGICISIMHQERLK-QFIPXVFZSA-N 1 0 398.551 3.513 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000558982438 1017328090 /nfs/dbraw/zinc/32/80/90/1017328090.db2.gz OFJMZEAVWVJNTD-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000558994272 1017331500 /nfs/dbraw/zinc/33/15/00/1017331500.db2.gz OIJWNOKICWYYIS-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO CCCC[N@H+](CCCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000561207390 1017808414 /nfs/dbraw/zinc/80/84/14/1017808414.db2.gz BJNMBEWGSUUCQD-UHFFFAOYSA-N 1 0 377.554 3.702 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccc(OC)cc3)CC2)cc1 ZINC001204300673 1032740473 /nfs/dbraw/zinc/74/04/73/1032740473.db2.gz ZDFYWYFXHUUZSJ-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)cc1 ZINC001204301174 1032742117 /nfs/dbraw/zinc/74/21/17/1032742117.db2.gz QNMSAXCJPBTVOQ-RBZQAINGSA-N 1 0 394.515 3.985 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C2 ZINC001228042908 1032750579 /nfs/dbraw/zinc/75/05/79/1032750579.db2.gz JLOVTOQKRJGTAJ-PKTZIBPZSA-N 1 0 388.515 3.552 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]2CCCO[C@H]21 ZINC000562546514 1018301172 /nfs/dbraw/zinc/30/11/72/1018301172.db2.gz ZGXAYUZKQBXIIT-NIKGAXFTSA-N 1 0 387.549 3.620 20 30 GHEDRO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562798559 1018654225 /nfs/dbraw/zinc/65/42/25/1018654225.db2.gz RQNVFABOCPWIOZ-PZJWPPBQSA-N 1 0 390.535 3.851 20 30 GHEDRO N#CC[C@H](NC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)C(F)(F)F ZINC000932890908 1018736232 /nfs/dbraw/zinc/73/62/32/1018736232.db2.gz QLXNYWMWQMLZJW-KRWDZBQOSA-N 1 0 394.441 3.628 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OCC)c(OC)c1)C2 ZINC001204358470 1032794608 /nfs/dbraw/zinc/79/46/08/1032794608.db2.gz NBNOKHLPEWGCSF-YADHBBJMSA-N 1 0 375.509 3.668 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccccc2C#N)CC3)cs1 ZINC001204370273 1032810959 /nfs/dbraw/zinc/81/09/59/1032810959.db2.gz WNSNTEONOYBWOA-HXUWFJFHSA-N 1 0 383.517 3.664 20 30 GHEDRO N#Cc1ccccc1CN1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001204371302 1032812664 /nfs/dbraw/zinc/81/26/64/1032812664.db2.gz UWENTTDTBZJUDG-NRFANRHFSA-N 1 0 382.458 3.687 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1sc2ccccc2c1Br ZINC000565510113 1019185265 /nfs/dbraw/zinc/18/52/65/1019185265.db2.gz DEZABWNKRIQNMX-UHFFFAOYSA-N 1 0 394.338 3.971 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)ccc(OC)c3F)CC2)C1=O ZINC001276461083 1032817494 /nfs/dbraw/zinc/81/74/94/1032817494.db2.gz CSZTVLNAFBIEMP-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)CC2 ZINC000570438533 1019609681 /nfs/dbraw/zinc/60/96/81/1019609681.db2.gz FZQIDFZEBRGXBI-VXKWHMMOSA-N 1 0 381.907 3.862 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccc(OC(F)F)cc4)C3)CC2=O)c1 ZINC001204421183 1032852493 /nfs/dbraw/zinc/85/24/93/1032852493.db2.gz MYGDTBYIYDNWSZ-JOCHJYFZSA-N 1 0 397.425 3.789 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572640107 1019790589 /nfs/dbraw/zinc/79/05/89/1019790589.db2.gz WTDJOLMCKCIEQP-SCLBCKFNSA-N 1 0 387.846 3.560 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000573467081 1019831053 /nfs/dbraw/zinc/83/10/53/1019831053.db2.gz OIRCDWBVWRXXFB-REWPJTCUSA-N 1 0 391.490 3.753 20 30 GHEDRO Cc1n[nH]cc1C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000576058185 1019974873 /nfs/dbraw/zinc/97/48/73/1019974873.db2.gz FGZGKEINPDFCPU-IBGZPJMESA-N 1 0 393.535 3.850 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000577210807 1020145150 /nfs/dbraw/zinc/14/51/50/1020145150.db2.gz BXYMMVNPUBASFV-LJQANCHMSA-N 1 0 385.870 3.801 20 30 GHEDRO C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000601187189 1020302476 /nfs/dbraw/zinc/30/24/76/1020302476.db2.gz BJDRICGPXFADQZ-RTBURBONSA-N 1 0 376.504 3.723 20 30 GHEDRO CC(C)[C@@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Br)cc1 ZINC000192372363 1020867220 /nfs/dbraw/zinc/86/72/20/1020867220.db2.gz WAPMNWWITIKNKR-RBUKOAKNSA-N 1 0 392.341 3.718 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)ccc1OC ZINC000192562354 1020888696 /nfs/dbraw/zinc/88/86/96/1020888696.db2.gz ROLUTDUPPYJEDY-INIZCTEOSA-N 1 0 397.500 3.579 20 30 GHEDRO CC[C@@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)Oc1ccccc1Cl ZINC000304751171 1021154610 /nfs/dbraw/zinc/15/46/10/1021154610.db2.gz XIUXWGNCRWBFLK-HNNXBMFYSA-N 1 0 391.899 3.619 20 30 GHEDRO C#CCCOc1ccc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)cc1 ZINC000834589371 1021287387 /nfs/dbraw/zinc/28/73/87/1021287387.db2.gz JFHJIHYFGZMHFV-UHFFFAOYSA-N 1 0 377.444 3.746 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC23CCC[NH+]2CCC3)s1 ZINC000834755152 1021442004 /nfs/dbraw/zinc/44/20/04/1021442004.db2.gz PGFUETQZYGCLGE-UHFFFAOYSA-N 1 0 385.986 3.583 20 30 GHEDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140440814 1021714700 /nfs/dbraw/zinc/71/47/00/1021714700.db2.gz DBYKWYHAJIOMTB-QFIPXVFZSA-N 1 0 397.475 3.681 20 30 GHEDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000835062504 1021839452 /nfs/dbraw/zinc/83/94/52/1021839452.db2.gz CGIJTXIMLWGVLX-MRXNPFEDSA-N 1 0 399.878 3.680 20 30 GHEDRO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2cc(C#N)ccc2Cl)C3)n1 ZINC001140599011 1022043241 /nfs/dbraw/zinc/04/32/41/1022043241.db2.gz MWBTVXPWDZNWPS-KNQAVFIVSA-N 1 0 397.906 3.580 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc(C)c1O ZINC001140655847 1022184017 /nfs/dbraw/zinc/18/40/17/1022184017.db2.gz AUTKELKPJGSYFN-HSZRJFAPSA-N 1 0 375.472 3.510 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)c(C)cc3F)C2)C1=O ZINC001140700493 1022310626 /nfs/dbraw/zinc/31/06/26/1022310626.db2.gz AVLPERPVQZGJBX-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3c(Cl)ncc4ccccc43)CC2)nc1 ZINC001140722081 1022361385 /nfs/dbraw/zinc/36/13/85/1022361385.db2.gz KJBPPMHWUJOPTF-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001140779646 1022504711 /nfs/dbraw/zinc/50/47/11/1022504711.db2.gz UVXXVWFKGRPQHN-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]2C1 ZINC001140810168 1022593652 /nfs/dbraw/zinc/59/36/52/1022593652.db2.gz XDNHRWSCJAQNSE-NVXWUHKLSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1Cl ZINC001140813447 1022609971 /nfs/dbraw/zinc/60/99/71/1022609971.db2.gz IPDAYGWHQQEQSN-YADHBBJMSA-N 1 0 395.934 3.729 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000754349947 1022636004 /nfs/dbraw/zinc/63/60/04/1022636004.db2.gz VYICXTVOAYNBLG-LJQANCHMSA-N 1 0 376.504 3.905 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001156529260 1033086215 /nfs/dbraw/zinc/08/62/15/1033086215.db2.gz FFXPNIVWLOMFBT-UGVMZYNRSA-N 1 0 391.928 3.909 20 30 GHEDRO N#CC1(c2ccc(NC[C@@H](c3ccccc3)[NH+]3CCCC3)nc2)CCOCC1 ZINC001156529337 1033086913 /nfs/dbraw/zinc/08/69/13/1033086913.db2.gz IGAISCCSEAUMPW-NRFANRHFSA-N 1 0 376.504 3.902 20 30 GHEDRO C=CCc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(O)c(OC)c1 ZINC000754748829 1022877544 /nfs/dbraw/zinc/87/75/44/1022877544.db2.gz TWWGENILPDEZJT-WBVHZDCISA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(-c4ccc(OC)cc4)n3)C2)C1=O ZINC001140952685 1022985578 /nfs/dbraw/zinc/98/55/78/1022985578.db2.gz CDOMGUZCQKFUOP-DEOSSOPVSA-N 1 0 391.515 3.758 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(-c4ccc(OC)cc4)n3)C2)C1=O ZINC001140952686 1022985744 /nfs/dbraw/zinc/98/57/44/1022985744.db2.gz CDOMGUZCQKFUOP-XMMPIXPASA-N 1 0 391.515 3.758 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001228795936 1033099971 /nfs/dbraw/zinc/09/99/71/1033099971.db2.gz KZDRPOVODVTAEW-WOJBJXKFSA-N 1 0 391.515 3.503 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)CC1 ZINC000755578795 1023299942 /nfs/dbraw/zinc/29/99/42/1023299942.db2.gz XONQYRQBUVTXGS-XMMPIXPASA-N 1 0 394.559 3.874 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106772 1023514923 /nfs/dbraw/zinc/51/49/23/1023514923.db2.gz HYQWRZWNSUVLFI-WCQYABFASA-N 1 0 396.944 3.687 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113552 1023529093 /nfs/dbraw/zinc/52/90/93/1023529093.db2.gz JXUKRIHOEHZXIP-QGZVFWFLSA-N 1 0 384.933 3.592 20 30 GHEDRO CC1(C)[N@H+](Cc2sc(N)c(C#N)c2Cl)CC[C@@]12c1ccccc1OC2=O ZINC001141113179 1023529659 /nfs/dbraw/zinc/52/96/59/1023529659.db2.gz CZFWOLGCKKIMSS-IBGZPJMESA-N 1 0 387.892 3.697 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc(C(=O)OC)cc2OC)ccc1O ZINC000756902516 1023853155 /nfs/dbraw/zinc/85/31/55/1023853155.db2.gz PHTNLXCVUZYWGN-UHFFFAOYSA-N 1 0 399.491 3.865 20 30 GHEDRO C#CC[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000756995566 1023902203 /nfs/dbraw/zinc/90/22/03/1023902203.db2.gz JCBUFSSLSOEBMA-QFIPXVFZSA-N 1 0 398.934 3.905 20 30 GHEDRO C#CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000757065017 1023925640 /nfs/dbraw/zinc/92/56/40/1023925640.db2.gz PVEQYUHCDRJNHZ-QHCPKHFHSA-N 1 0 391.515 3.677 20 30 GHEDRO COc1cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)ccc1C#N ZINC000830499310 1023954709 /nfs/dbraw/zinc/95/47/09/1023954709.db2.gz VKQSSWJESZQRCX-UHFFFAOYSA-N 1 0 379.460 3.684 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)COc2cccc(C#N)c2)CC1 ZINC000837090863 1024011311 /nfs/dbraw/zinc/01/13/11/1024011311.db2.gz YIYYJGUWRBKDAL-UHFFFAOYSA-N 1 0 399.878 3.702 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccc(-n4ccnc4)c3)CC2)C1 ZINC001141238724 1024237105 /nfs/dbraw/zinc/23/71/05/1024237105.db2.gz RSCXXZKKIKTOAQ-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3c(cc1Cl)OCO3)C2 ZINC001138240931 1024447378 /nfs/dbraw/zinc/44/73/78/1024447378.db2.gz LGTBTOAEKYNTOO-UXHICEINSA-N 1 0 379.884 3.642 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138355794 1024719479 /nfs/dbraw/zinc/71/94/79/1024719479.db2.gz CZHKIFKBKDXQJQ-UHFFFAOYSA-N 1 0 391.515 3.993 20 30 GHEDRO N#CC1(NC(=O)CC[C@H]2CC2(Cl)Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000831794037 1024874741 /nfs/dbraw/zinc/87/47/41/1024874741.db2.gz DCKRRGOQOAKUOZ-INIZCTEOSA-N 1 0 380.319 3.635 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)C1 ZINC001138597806 1025081198 /nfs/dbraw/zinc/08/11/98/1025081198.db2.gz BZZWQXUNFVRGLS-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc(Oc3ncccn3)c1)CC2 ZINC001138618859 1025112687 /nfs/dbraw/zinc/11/26/87/1025112687.db2.gz CAQIRDMRAILHEL-HSZRJFAPSA-N 1 0 392.503 3.802 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c1O ZINC001138627515 1025128899 /nfs/dbraw/zinc/12/88/99/1025128899.db2.gz KPVWHZNBFMBIMH-OAQYLSRUSA-N 1 0 376.500 3.759 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c1O ZINC001138628069 1025129023 /nfs/dbraw/zinc/12/90/23/1025129023.db2.gz SIKZNVOQKXBECH-QPPBQGQZSA-N 1 0 376.500 3.569 20 30 GHEDRO C=CCc1cccc(C[N@H+](CC)C[C@@H]2CN(Cc3ccccc3)CCO2)c1O ZINC001138630993 1025134325 /nfs/dbraw/zinc/13/43/25/1025134325.db2.gz HXQSDDABPZWHOK-HSZRJFAPSA-N 1 0 380.532 3.844 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(NCC2(c3cccnc3)CC[NH2+]CC2)c1C#N ZINC001162036054 1025554218 /nfs/dbraw/zinc/55/42/18/1025554218.db2.gz GSAFODIECDTAQF-UHFFFAOYSA-N 1 0 376.291 3.697 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC(=O)CC)cc3)C2)C1 ZINC001138961758 1025666426 /nfs/dbraw/zinc/66/64/26/1025666426.db2.gz HFBBNQQQTOHNBX-QFIPXVFZSA-N 1 0 386.492 3.613 20 30 GHEDRO C=CCN1CC[C@@H]([NH+]2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)C1=O ZINC000839168874 1025677015 /nfs/dbraw/zinc/67/70/15/1025677015.db2.gz DKVHYMDZLFTXDT-HXUWFJFHSA-N 1 0 399.535 4.000 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCC)cc1OCC)C2 ZINC001138977939 1025703429 /nfs/dbraw/zinc/70/34/29/1025703429.db2.gz IOPGBMKNEGIQGG-RBBKRZOGSA-N 1 0 375.509 3.810 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC001139029371 1025798092 /nfs/dbraw/zinc/79/80/92/1025798092.db2.gz VXBVFXHOFKSLQS-XMMPIXPASA-N 1 0 392.499 3.889 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC[C@H](C(=O)N3CCCC3)OC2)CC1 ZINC001139032581 1025804549 /nfs/dbraw/zinc/80/45/49/1025804549.db2.gz PSDCSEZSRYLSNU-JOCHJYFZSA-N 1 0 398.547 3.635 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162580568 1025805404 /nfs/dbraw/zinc/80/54/04/1025805404.db2.gz SNACLUOBSUYVBA-KRWDZBQOSA-N 1 0 377.807 3.562 20 30 GHEDRO Cc1ccc(C#N)c(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)n1 ZINC001162676684 1025868179 /nfs/dbraw/zinc/86/81/79/1025868179.db2.gz SPBZZAGZVUPIPF-UHFFFAOYSA-N 1 0 390.487 3.591 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C2 ZINC001139113351 1025920017 /nfs/dbraw/zinc/92/00/17/1025920017.db2.gz HLCJMKDOGAIPJQ-OAQYLSRUSA-N 1 0 392.927 3.890 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162850204 1025938256 /nfs/dbraw/zinc/93/82/56/1025938256.db2.gz QVQVPDKVKUFRLZ-OAHLLOKOSA-N 1 0 379.261 3.890 20 30 GHEDRO N#Cc1c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc(Cl)cc1C(F)(F)F ZINC001162956114 1025983787 /nfs/dbraw/zinc/98/37/87/1025983787.db2.gz KJPFEZALBMKMSW-LLVKDONJSA-N 1 0 388.821 3.586 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC001139207783 1026055797 /nfs/dbraw/zinc/05/57/97/1026055797.db2.gz HSKLTFKYNBIGKP-UHFFFAOYSA-N 1 0 386.521 3.692 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001141654673 1026090066 /nfs/dbraw/zinc/09/00/66/1026090066.db2.gz GNECQBNLTWTMGG-AWEZNQCLSA-N 1 0 377.204 3.600 20 30 GHEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000839627616 1026133142 /nfs/dbraw/zinc/13/31/42/1026133142.db2.gz BMAVLKQJFBYVJQ-YHYVQYDKSA-N 1 0 377.488 3.532 20 30 GHEDRO COc1cccc([C@@H](C[NH3+])Nc2cnc(Cl)nc2Oc2ccc(C#N)cc2)c1 ZINC001163313510 1026137475 /nfs/dbraw/zinc/13/74/75/1026137475.db2.gz PKWQDUDCJDVSGG-QGZVFWFLSA-N 1 0 395.850 3.914 20 30 GHEDRO c1ccc(C(=Nc2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)cn2)c2ccccc2)cc1 ZINC001163347930 1026153511 /nfs/dbraw/zinc/15/35/11/1026153511.db2.gz PGHMBMJQFMCPJL-DPLHUUCSSA-N 1 0 384.483 3.792 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1[nH]ccc2ncc(C#N)c1-2)c1ccc(Cl)cc1 ZINC001163384243 1026169046 /nfs/dbraw/zinc/16/90/46/1026169046.db2.gz AGTRYRPWQSQCNR-GOSISDBHSA-N 1 0 383.883 3.819 20 30 GHEDRO COC(=O)c1ccc([C@H]([NH3+])CNc2cc(C#N)c3cc(Cl)ccc3n2)cc1 ZINC001163468202 1026206466 /nfs/dbraw/zinc/20/64/66/1026206466.db2.gz ZAEXKVMLEFEAOV-QGZVFWFLSA-N 1 0 380.835 3.658 20 30 GHEDRO COC(=O)c1nc(NC(C)=NCc2cccc(C[NH3+])c2)c2ccccc2c1OC ZINC001163473186 1026207223 /nfs/dbraw/zinc/20/72/23/1026207223.db2.gz LHAXTTRIOINADU-UHFFFAOYSA-N 1 0 392.459 3.519 20 30 GHEDRO CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1=O ZINC001139402890 1026274547 /nfs/dbraw/zinc/27/45/47/1026274547.db2.gz ACQZSUIPAWZKCX-RUZDIDTESA-N 1 0 394.478 3.740 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1-n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001163760726 1026306183 /nfs/dbraw/zinc/30/61/83/1026306183.db2.gz YZXYCRSLRRGWJK-UHFFFAOYSA-N 1 0 388.862 3.961 20 30 GHEDRO C[NH+](C)Cc1cccc(CNc2cccc([C@@H](C#N)C(=O)OC(C)(C)C)n2)c1 ZINC001163994238 1026380021 /nfs/dbraw/zinc/38/00/21/1026380021.db2.gz WNRIVCUDUFAAFK-GOSISDBHSA-N 1 0 380.492 3.704 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccc(Cl)n4)C3)C2)c1 ZINC001139551091 1026421196 /nfs/dbraw/zinc/42/11/96/1026421196.db2.gz YKBALHPIVKKBLP-QFIPXVFZSA-N 1 0 396.922 3.726 20 30 GHEDRO C[C@]1(CNC(=O)C(F)(F)c2ccccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001139617594 1026482292 /nfs/dbraw/zinc/48/22/92/1026482292.db2.gz VHNBMWABRJSZDM-OAQYLSRUSA-N 1 0 383.442 3.678 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cc(C#N)ccc1F)CC2 ZINC001139646267 1026507244 /nfs/dbraw/zinc/50/72/44/1026507244.db2.gz MMLNYORGIOMCPI-UHFFFAOYSA-N 1 0 382.483 3.933 20 30 GHEDRO CCc1nc(C#N)c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164486478 1026527513 /nfs/dbraw/zinc/52/75/13/1026527513.db2.gz OLGINNQFYCSVHR-XYJFISCASA-N 1 0 381.911 3.887 20 30 GHEDRO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001139689421 1026540692 /nfs/dbraw/zinc/54/06/92/1026540692.db2.gz MVLFDVLSWQDBPR-PKTZIBPZSA-N 1 0 395.934 3.729 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4c[nH]c5c4cccc5C#N)CC[N@@H+]3C2)cc1 ZINC001139705611 1026551014 /nfs/dbraw/zinc/55/10/14/1026551014.db2.gz VLXRNRGXELUSKK-RBBKRZOGSA-N 1 0 386.499 3.686 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CCC[C@@]4(C[C@H](Oc5ccccn5)CO4)C3)c[nH]c21 ZINC001139705626 1026551216 /nfs/dbraw/zinc/55/12/16/1026551216.db2.gz WIHYKVMTKKJJBQ-WMZHIEFXSA-N 1 0 388.471 3.637 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165088783 1026598888 /nfs/dbraw/zinc/59/88/88/1026598888.db2.gz SPIACVQLCMJSBK-CRAIPNDOSA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cn1 ZINC001139770672 1026605572 /nfs/dbraw/zinc/60/55/72/1026605572.db2.gz WFFRPYAXGGDPLV-UHFFFAOYSA-N 1 0 388.556 3.928 20 30 GHEDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2nc(Cl)c(Cl)c(C)c2C#N)CC1 ZINC001165108691 1026610833 /nfs/dbraw/zinc/61/08/33/1026610833.db2.gz PZLORBVUKOWYLD-AWEZNQCLSA-N 1 0 383.323 3.648 20 30 GHEDRO C[N@H+]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@H]2C1 ZINC001165147731 1026633939 /nfs/dbraw/zinc/63/39/39/1026633939.db2.gz GDYLZXQZZSDAIR-IYBDPMFKSA-N 1 0 388.849 3.816 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001139870117 1026685281 /nfs/dbraw/zinc/68/52/81/1026685281.db2.gz YVBMIVJSVSBVOK-UHFFFAOYSA-N 1 0 381.398 3.940 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)c1 ZINC001139876558 1026691849 /nfs/dbraw/zinc/69/18/49/1026691849.db2.gz DAGBPTQUTFORIK-UHFFFAOYSA-N 1 0 389.474 3.988 20 30 GHEDRO Cc1cccc(N(c2nc(Cl)c(F)cc2C#N)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165771485 1026829622 /nfs/dbraw/zinc/82/96/22/1026829622.db2.gz LTBZXXRQJXAGPM-JXFKEZNVSA-N 1 0 386.858 3.713 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001140099408 1026876340 /nfs/dbraw/zinc/87/63/40/1026876340.db2.gz FGPHWUPDTHYIJB-RTBURBONSA-N 1 0 396.325 3.728 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C2)C1 ZINC001140110953 1026892042 /nfs/dbraw/zinc/89/20/42/1026892042.db2.gz VOBQXKMDHYOTSK-QFIPXVFZSA-N 1 0 380.492 3.872 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)CC[C@H]21 ZINC001140110910 1026892458 /nfs/dbraw/zinc/89/24/58/1026892458.db2.gz UWVJWIGWNTXMRL-OXQOHEQNSA-N 1 0 380.492 3.871 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c[nH]c3ccc(C#N)cc13)[C@H]2C ZINC001140113537 1026894189 /nfs/dbraw/zinc/89/41/89/1026894189.db2.gz HTIJIMFEZUQZTP-INIZCTEOSA-N 1 0 376.508 3.653 20 30 GHEDRO N#Cc1cnc(N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)c(F)c1 ZINC001166129359 1026925153 /nfs/dbraw/zinc/92/51/53/1026925153.db2.gz UJTLLKBFQZJYND-UHFFFAOYSA-N 1 0 385.446 3.927 20 30 GHEDRO N#Cc1cc2c(n(CCc3cccc(F)c3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001166557211 1027027121 /nfs/dbraw/zinc/02/71/21/1027027121.db2.gz KHRRMQDMLVECSK-UHFFFAOYSA-N 1 0 387.458 3.660 20 30 GHEDRO CC(C)[NH+]1CCC(CNc2c(C#N)cnc3cc(Br)ccc32)CC1 ZINC001166623612 1027043242 /nfs/dbraw/zinc/04/32/42/1027043242.db2.gz RPBSWMPZQHZQNF-UHFFFAOYSA-N 1 0 387.325 3.823 20 30 GHEDRO C#CCC[C@H](O)C[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC001203536532 1027414640 /nfs/dbraw/zinc/41/46/40/1027414640.db2.gz XUHVDONPMLUCEQ-FQEVSTJZSA-N 1 0 393.462 3.976 20 30 GHEDRO Cc1cc(C#N)cc(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)c1 ZINC001210390420 1027484478 /nfs/dbraw/zinc/48/44/78/1027484478.db2.gz WMSPUCSWTMEQAX-UHFFFAOYSA-N 1 0 389.547 3.827 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)c1 ZINC001203761662 1027584126 /nfs/dbraw/zinc/58/41/26/1027584126.db2.gz DAELECDWGYTQHU-OAQYLSRUSA-N 1 0 377.488 3.651 20 30 GHEDRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2cccc(C#N)c2)C3)n1 ZINC001203761491 1027584303 /nfs/dbraw/zinc/58/43/03/1027584303.db2.gz AENBKGRGBGNASJ-RPWUZVMVSA-N 1 0 391.515 3.850 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)NCC2(C#N)CCCCC2)[NH+]2CCCCC2)cc1 ZINC001210849113 1027678356 /nfs/dbraw/zinc/67/83/56/1027678356.db2.gz CZOFIKMHDZYZIN-OAQYLSRUSA-N 1 0 398.551 3.995 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC001203922845 1027713140 /nfs/dbraw/zinc/71/31/40/1027713140.db2.gz CWRUYDOQAXVWGY-UHFFFAOYSA-N 1 0 385.508 3.646 20 30 GHEDRO CC[N@H+](Cc1ccc(C#N)c(SC)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141943670 1027722105 /nfs/dbraw/zinc/72/21/05/1027722105.db2.gz FJBDGKNCQXEHTC-INIZCTEOSA-N 1 0 376.526 3.506 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(c2cccc(C)c2)CC1)C(C)C ZINC001211211350 1027841198 /nfs/dbraw/zinc/84/11/98/1027841198.db2.gz CWFVRJTZLCBCIL-JOCHJYFZSA-N 1 0 384.568 3.525 20 30 GHEDRO CCOc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)ccc1O ZINC001204132733 1027905170 /nfs/dbraw/zinc/90/51/70/1027905170.db2.gz BZTVYEUKUXVIHD-UHFFFAOYSA-N 1 0 382.460 3.715 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000841082237 1028106720 /nfs/dbraw/zinc/10/67/20/1028106720.db2.gz XLHCOASGOWRIRW-UHFFFAOYSA-N 1 0 376.460 3.958 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc(OC)c1O ZINC001461341212 1069508395 /nfs/dbraw/zinc/50/83/95/1069508395.db2.gz PKJPDWHYMZEGAW-UHFFFAOYSA-N 1 0 393.386 3.749 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1C#N ZINC000841156940 1028225353 /nfs/dbraw/zinc/22/53/53/1028225353.db2.gz WAIWQHPUNICQGG-SFHVURJKSA-N 1 0 395.463 3.728 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001142196159 1028338103 /nfs/dbraw/zinc/33/81/03/1028338103.db2.gz CJVZWLKOLJDNLT-OFNKIYASSA-N 1 0 387.520 3.968 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1cccc(C(F)(F)F)c1C#N ZINC001213898266 1028438801 /nfs/dbraw/zinc/43/88/01/1028438801.db2.gz DXLFGOZWWSSUFB-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO CCc1cc(NC(=O)C2CC[NH+](Cc3ccncc3)CC2)cc(CC)c1C#N ZINC001142346675 1028728817 /nfs/dbraw/zinc/72/88/17/1028728817.db2.gz AEMRRUVBWLGGRM-UHFFFAOYSA-N 1 0 376.504 3.929 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)c2)s1 ZINC000841831683 1028971811 /nfs/dbraw/zinc/97/18/11/1028971811.db2.gz YGPVTIYJYYOMJX-OAQYLSRUSA-N 1 0 380.517 3.572 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)c2)s1 ZINC000841831682 1028972096 /nfs/dbraw/zinc/97/20/96/1028972096.db2.gz YGPVTIYJYYOMJX-NRFANRHFSA-N 1 0 380.517 3.572 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(-c3cccnc3O[C@H]3CC[NH2+]C3)n2)c(C#N)c1 ZINC001215012892 1028995316 /nfs/dbraw/zinc/99/53/16/1028995316.db2.gz ZTAFSNWWRLPKSO-INIZCTEOSA-N 1 0 389.459 3.708 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)cc1 ZINC001215291267 1029134792 /nfs/dbraw/zinc/13/47/92/1029134792.db2.gz JTOIOFYPZCFFKH-UHFFFAOYSA-N 1 0 376.460 3.720 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)s1 ZINC000183012093 1029223987 /nfs/dbraw/zinc/22/39/87/1029223987.db2.gz YIJBFYBTPSLCOI-LBPRGKRZSA-N 1 0 385.880 3.748 20 30 GHEDRO C#CC[C@H]1CCCN(Cn2nc([C@@H](CC)[NH+](C)C)n(CCCC)c2=S)C1 ZINC000842627308 1029429077 /nfs/dbraw/zinc/42/90/77/1029429077.db2.gz FVHPVKXWHBDAKP-ZWKOTPCHSA-N 1 0 377.602 3.920 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCN(c4ccc(Br)cn4)CC3)c[nH]c2c1 ZINC001142911838 1029677526 /nfs/dbraw/zinc/67/75/26/1029677526.db2.gz LJFXKOSJMKCBHK-UHFFFAOYSA-N 1 0 396.292 3.519 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@H]12 ZINC001142929017 1029710961 /nfs/dbraw/zinc/71/09/61/1029710961.db2.gz SLTPMUNXCAHZQM-LOSJGSFVSA-N 1 0 398.510 3.804 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]12 ZINC001142929722 1029711409 /nfs/dbraw/zinc/71/14/09/1029711409.db2.gz FHSFHJCJNMHHKE-ATZDWAIDSA-N 1 0 380.492 3.775 20 30 GHEDRO COc1cc(C)c(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001142949348 1029727137 /nfs/dbraw/zinc/72/71/37/1029727137.db2.gz JOIQBWMWUATITQ-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc(-c3ccccc3)nn1C)C2 ZINC001143006030 1029774979 /nfs/dbraw/zinc/77/49/79/1029774979.db2.gz ISQCFVYZSHFYBR-HSZRJFAPSA-N 1 0 378.520 3.620 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(OC)cc(C)cc1OC)C2 ZINC001143140051 1029864801 /nfs/dbraw/zinc/86/48/01/1029864801.db2.gz WFHUPPSMDUEJEQ-FCHUYYIVSA-N 1 0 375.509 3.586 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4c(F)ccc(C#N)c4F)C3)C2=O)c1 ZINC001143169629 1029879928 /nfs/dbraw/zinc/87/99/28/1029879928.db2.gz MEPMJZZZDDDKHW-QHCPKHFHSA-N 1 0 395.453 3.770 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3c(F)cc(C#N)cc3Cl)n2)CC1 ZINC001216781001 1029932200 /nfs/dbraw/zinc/93/22/00/1029932200.db2.gz BYVSWOYZTXUODW-UHFFFAOYSA-N 1 0 397.841 3.820 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@H]21 ZINC001222125321 1029972519 /nfs/dbraw/zinc/97/25/19/1029972519.db2.gz DSQSJWSKHRVPMC-IEBWSBKVSA-N 1 0 380.517 3.522 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4ccc(C#N)cc4Cl)n3)cc2)CC1 ZINC001216954604 1030027488 /nfs/dbraw/zinc/02/74/88/1030027488.db2.gz CNIQYEYHHKJQNL-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO C[NH+]1CCN(c2cc(Cl)ccc2-c2nc(-c3cc(F)cc(C#N)c3)no2)CC1 ZINC001217008546 1030080139 /nfs/dbraw/zinc/08/01/39/1030080139.db2.gz CZZPACMNMVHIIB-UHFFFAOYSA-N 1 0 397.841 3.820 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccc(C#N)c(F)c3)cc2)CC1 ZINC001222642718 1030254436 /nfs/dbraw/zinc/25/44/36/1030254436.db2.gz AHMZVOGNZMPGSP-UHFFFAOYSA-N 1 0 394.494 3.929 20 30 GHEDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)C[C@@]2(C)C1 ZINC001149670624 1030265886 /nfs/dbraw/zinc/26/58/86/1030265886.db2.gz GNTXETFHDYQVTK-DNQXCXABSA-N 1 0 389.499 3.551 20 30 GHEDRO CCC[N@H+](CC)CCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC001217730030 1030631704 /nfs/dbraw/zinc/63/17/04/1030631704.db2.gz APDOTCJRYMRNON-UHFFFAOYSA-N 1 0 396.539 3.895 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217949959 1030681978 /nfs/dbraw/zinc/68/19/78/1030681978.db2.gz MUUMNPLPNQXQNR-WOJBJXKFSA-N 1 0 393.462 3.583 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CCC[NH2+]C[C@@H]3C)c(C#N)c2)nc1C ZINC001217986240 1030706982 /nfs/dbraw/zinc/70/69/82/1030706982.db2.gz FKACDESHMYVBIU-GUYCJALGSA-N 1 0 399.516 3.934 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218015728 1030724196 /nfs/dbraw/zinc/72/41/96/1030724196.db2.gz BDDOSURKOZHPLM-QIFITHLZSA-N 1 0 397.494 3.789 20 30 GHEDRO O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089355 1030765683 /nfs/dbraw/zinc/76/56/83/1030765683.db2.gz FEDPIQWFMBJCEN-WFKPWQGXSA-N 1 0 395.455 3.611 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218095783 1030769224 /nfs/dbraw/zinc/76/92/24/1030769224.db2.gz PAIBRJCOGGFKDR-UNQCCSQTSA-N 1 0 379.456 3.905 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(OC2CC3(C2)CC[NH2+]CC3)c1 ZINC001218105303 1030775428 /nfs/dbraw/zinc/77/54/28/1030775428.db2.gz XZVMNMFHWOPTFO-FBHDLOMBSA-N 1 0 393.439 3.625 20 30 GHEDRO C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC001218106013 1030776652 /nfs/dbraw/zinc/77/66/52/1030776652.db2.gz ZKQOTEDJDGJSHC-LEWJYISDSA-N 1 0 390.527 3.941 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3Cc4ccc(C#N)cc4C3)C[C@H]2C1 ZINC001461705564 1069690693 /nfs/dbraw/zinc/69/06/93/1069690693.db2.gz SAXVLOILTKRKCP-VMXMFDLUSA-N 1 0 381.520 3.651 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3CC[C@]34CC[NH2+]C4)c3ccccc23)ccc1F ZINC001218120590 1030782846 /nfs/dbraw/zinc/78/28/46/1030782846.db2.gz UJQUJPBKCKFTAM-JTHBVZDNSA-N 1 0 388.446 3.752 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218189093 1030812969 /nfs/dbraw/zinc/81/29/69/1030812969.db2.gz SFGYSBBEGDVHJU-DZFIZOCASA-N 1 0 387.483 3.776 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001151236201 1030817764 /nfs/dbraw/zinc/81/77/64/1030817764.db2.gz FQDDANPXTQJFCG-UHFFFAOYSA-N 1 0 377.875 3.850 20 30 GHEDRO COc1ccccc1-n1nc(O[C@@H]2C[NH2+]C[C@H]2C#N)cc1-c1ccc(Cl)cc1 ZINC001218205742 1030829878 /nfs/dbraw/zinc/82/98/78/1030829878.db2.gz YVLZWZKMBREYSH-FOIQADDNSA-N 1 0 394.862 3.692 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)c2c(c1OC)O[C@H](c1ccccc1)CC2=O ZINC001218209240 1030830754 /nfs/dbraw/zinc/83/07/54/1030830754.db2.gz WAJKGUGGMYZLCB-PXNSSMCTSA-N 1 0 395.455 3.707 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(OC)c(OC)cc(O)c1C(=O)/C=C/c1ccccc1 ZINC001218209367 1030832009 /nfs/dbraw/zinc/83/20/09/1030832009.db2.gz XKQZFGQEIOUQPE-SQUSKLHYSA-N 1 0 395.455 3.602 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(C(F)(F)F)c(Br)cc1[N+](=O)[O-] ZINC001218210702 1030833450 /nfs/dbraw/zinc/83/34/50/1030833450.db2.gz HQDKLDJPXFBXFA-GFCCVEGCSA-N 1 0 381.148 3.673 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CCC23C[NH2+]C3)c1 ZINC001218243927 1030848392 /nfs/dbraw/zinc/84/83/92/1030848392.db2.gz IQYLMCCLLRDIBH-HXUWFJFHSA-N 1 0 377.440 3.530 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(OC2CC3(C2)CCC[NH2+]C3)c1 ZINC001218255428 1030857806 /nfs/dbraw/zinc/85/78/06/1030857806.db2.gz IRDWUIRYTGUTFX-NKVSQWTQSA-N 1 0 393.439 3.625 20 30 GHEDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc(-c2ccc(C#N)cc2)cc1I ZINC001218383398 1030913936 /nfs/dbraw/zinc/91/39/36/1030913936.db2.gz OEMJROGETRLGTE-DIFFPNOSSA-N 1 0 390.224 3.569 20 30 GHEDRO C[C@H]1CC[C@@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)C[NH2+]1 ZINC001218401800 1030921198 /nfs/dbraw/zinc/92/11/98/1030921198.db2.gz ICRQYHBJCPNBMG-DTLDOBSHSA-N 1 0 379.504 3.840 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[C@H](C)[NH2+]C2)c1OC ZINC001218403647 1030923226 /nfs/dbraw/zinc/92/32/26/1030923226.db2.gz YBFFRTXIYURJHP-BCWDTRBQSA-N 1 0 397.471 3.825 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3CC[NH2+]C[C@@H]3C)c2)cc1OC ZINC001218415000 1030929621 /nfs/dbraw/zinc/92/96/21/1030929621.db2.gz NZFGLETZBAJYMD-LTMGMZKTSA-N 1 0 381.472 3.977 20 30 GHEDRO C#C[C@H](COc1cccc(Cl)c1)Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001218438284 1030936978 /nfs/dbraw/zinc/93/69/78/1030936978.db2.gz IQFOSWTWEWAIGV-HXUWFJFHSA-N 1 0 384.907 3.723 20 30 GHEDRO C=C[C@H](Oc1nc2ccc(C(=O)CCN3CC[NH2+]CC3)cc2o1)c1ccccc1 ZINC001218441579 1030938245 /nfs/dbraw/zinc/93/82/45/1030938245.db2.gz XNBDXSTVNWKTOF-NRFANRHFSA-N 1 0 391.471 3.612 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218464543 1030948200 /nfs/dbraw/zinc/94/82/00/1030948200.db2.gz LRUOEUZIZBVFES-NPGGZLGSSA-N 1 0 393.483 3.977 20 30 GHEDRO COc1ccccc1C1(CC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[NH2+]CC1 ZINC001218558353 1030985808 /nfs/dbraw/zinc/98/58/08/1030985808.db2.gz DTACFMVGAUTCCQ-UHFFFAOYSA-N 1 0 394.519 3.773 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)[C@]3([NH3+])CCc4cc(F)ccc4C3)n2)s1 ZINC001218788500 1031080009 /nfs/dbraw/zinc/08/00/09/1031080009.db2.gz VOFBDLQNAJVEEG-IBGZPJMESA-N 1 0 398.488 3.707 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C#N ZINC001224826606 1031139227 /nfs/dbraw/zinc/13/92/27/1031139227.db2.gz RAYPWSIEFDVYQD-PCCBWWKXSA-N 1 0 399.535 3.817 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)cn2)cc1 ZINC001152378273 1031212273 /nfs/dbraw/zinc/21/22/73/1031212273.db2.gz NHTOTKOLGNJALQ-QHCPKHFHSA-N 1 0 399.498 3.621 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)cc1 ZINC001219271114 1031336100 /nfs/dbraw/zinc/33/61/00/1031336100.db2.gz POYVJDHUZLINJZ-CVDCTZTESA-N 1 0 375.472 3.713 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(F)c1N1CCCCC1 ZINC001219297774 1031343360 /nfs/dbraw/zinc/34/33/60/1031343360.db2.gz VFDCNJSKRLHQQR-MOPGFXCFSA-N 1 0 392.478 3.629 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)nc1 ZINC001219422575 1031411070 /nfs/dbraw/zinc/41/10/70/1031411070.db2.gz MTMJFNVAMKKWGZ-HXUWFJFHSA-N 1 0 393.450 3.677 20 30 GHEDRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)O2)CO1 ZINC001461773474 1069739424 /nfs/dbraw/zinc/73/94/24/1069739424.db2.gz FLNHPDIFQWAMQB-DKLXNKCPSA-N 1 0 392.499 3.953 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(Br)ccc1Br ZINC001225716260 1031559910 /nfs/dbraw/zinc/55/99/10/1031559910.db2.gz PYEPWHUPCURLAK-LLVKDONJSA-N 1 0 377.100 3.579 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2nc(C(C)(C)c3ccccc3)cs2)CC1 ZINC001219786420 1031617758 /nfs/dbraw/zinc/61/77/58/1031617758.db2.gz UDGLCPLERWHJIG-UHFFFAOYSA-N 1 0 382.533 3.688 20 30 GHEDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC001219885315 1031675138 /nfs/dbraw/zinc/67/51/38/1031675138.db2.gz BBJBYRLRORMHJO-MRXNPFEDSA-N 1 0 376.451 3.955 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(CC#N)n1 ZINC001219940518 1031706106 /nfs/dbraw/zinc/70/61/06/1031706106.db2.gz XHLTUOLFWHQNQP-OKZBNKHCSA-N 1 0 377.492 3.663 20 30 GHEDRO O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1cc2c(s1)C[NH2+]CC2 ZINC001220181301 1031822330 /nfs/dbraw/zinc/82/23/30/1031822330.db2.gz IZMUZZUOURFPIM-UHFFFAOYSA-N 1 0 386.476 3.888 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)NCc2ccc(C)c(C#N)c2)c1 ZINC001220390406 1031924293 /nfs/dbraw/zinc/92/42/93/1031924293.db2.gz BGEIMCOVDCROKF-UHFFFAOYSA-N 1 0 380.492 3.909 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001220600198 1032005324 /nfs/dbraw/zinc/00/53/24/1032005324.db2.gz CZRGTXYSRVTWID-GGAORHGYSA-N 1 0 398.595 3.601 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001220619242 1032020141 /nfs/dbraw/zinc/02/01/41/1032020141.db2.gz LOMGFEVQABOFNF-DHIUTWEWSA-N 1 0 375.516 3.887 20 30 GHEDRO N#Cc1cc(Br)cc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c1 ZINC001229282518 1033390586 /nfs/dbraw/zinc/39/05/86/1033390586.db2.gz GGBYXBHUQIBAFZ-LJQANCHMSA-N 1 0 387.277 3.601 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)ccc1F ZINC001205467234 1033425585 /nfs/dbraw/zinc/42/55/85/1033425585.db2.gz MXQDGLNKXOQIES-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)ccc1F ZINC001205513496 1033446844 /nfs/dbraw/zinc/44/68/44/1033446844.db2.gz ISCFAWBLTMTIRA-UHFFFAOYSA-N 1 0 385.870 3.879 20 30 GHEDRO O=C1C=CC(=O)c2c(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc(O)c21 ZINC001229406700 1033463619 /nfs/dbraw/zinc/46/36/19/1033463619.db2.gz ASEMUMZTHZTTPY-BCDXTJNWSA-N 1 0 389.451 3.902 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Oc2cc(OC)cc(OC)c2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001229467247 1033499712 /nfs/dbraw/zinc/49/97/12/1033499712.db2.gz HKWPLMJZRFBFDV-RUJXFNLJSA-N 1 0 397.471 3.779 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(c2ccc([C@H](C#N)c3ccccc3F)nn2)CC1 ZINC001157659115 1033708859 /nfs/dbraw/zinc/70/88/59/1033708859.db2.gz DQNBEFJOGCTYIW-GOSISDBHSA-N 1 0 379.483 3.726 20 30 GHEDRO C[C@@H]1[C@@H]([NH3+])CCCN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001157744395 1033748729 /nfs/dbraw/zinc/74/87/29/1033748729.db2.gz FXSNHCGQNZBDBT-ABAIWWIYSA-N 1 0 377.826 3.530 20 30 GHEDRO C[C@H]1[C@@H]([NH3+])CCCN1c1nc(C#C[Si](C)(C)C)ccc1NC(=O)C(C)(C)C ZINC001157748034 1033751839 /nfs/dbraw/zinc/75/18/39/1033751839.db2.gz WMKWJJYKRIBKEV-RDJZCZTQSA-N 1 0 386.616 3.611 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c(C)cc1O ZINC001277427893 1033769524 /nfs/dbraw/zinc/76/95/24/1033769524.db2.gz XGTVRZGPGPRABS-IAGOWNOFSA-N 1 0 393.325 3.605 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158032603 1033873342 /nfs/dbraw/zinc/87/33/42/1033873342.db2.gz VVWOVAVDPBTGFX-QHCPKHFHSA-N 1 0 378.520 3.663 20 30 GHEDRO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001206714165 1033955776 /nfs/dbraw/zinc/95/57/76/1033955776.db2.gz AJFUNDOEJMPNBJ-QGZVFWFLSA-N 1 0 381.561 3.569 20 30 GHEDRO COc1cc(O[C@H](CC#N)C[N+](C)(C)C)cc2c1C(=O)C[C@@H](c1ccccc1)O2 ZINC001230421181 1034044382 /nfs/dbraw/zinc/04/43/82/1034044382.db2.gz LDLNGLOGGYYLED-XLIONFOSSA-N 1 0 395.479 3.769 20 30 GHEDRO CC[N@@H+]1CC[C@H](Oc2c(OC)c(OC)cc(O)c2C(=O)/C=C/c2ccccc2)C1 ZINC001230439545 1034057867 /nfs/dbraw/zinc/05/78/67/1034057867.db2.gz FDWDJNQRKJWGNR-DVQDXYAYSA-N 1 0 397.471 3.779 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3c(F)ccc(C)c3Br)C2)C1=O ZINC001277455960 1034063646 /nfs/dbraw/zinc/06/36/46/1034063646.db2.gz OFOZTWSQXJTHQH-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N ZINC001207104540 1034095745 /nfs/dbraw/zinc/09/57/45/1034095745.db2.gz UECIOXACESOUAJ-MOPGFXCFSA-N 1 0 386.540 3.756 20 30 GHEDRO C=C(Cl)C[C@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)OCC ZINC001207129747 1034114765 /nfs/dbraw/zinc/11/47/65/1034114765.db2.gz RDKYRTXTMNPICJ-MUGJNUQGSA-N 1 0 376.928 3.703 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2-n2cc(CC[NH3+])c3ncccc32)c1 ZINC001158754466 1034261421 /nfs/dbraw/zinc/26/14/21/1034261421.db2.gz WPCDPFDVFJKVHZ-UHFFFAOYSA-N 1 0 390.834 3.634 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CC3CCC(F)(F)CC3)CC2)cc1 ZINC001207350531 1034297347 /nfs/dbraw/zinc/29/73/47/1034297347.db2.gz PESNOKOULVVKQU-UHFFFAOYSA-N 1 0 376.451 3.970 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001231029471 1034349986 /nfs/dbraw/zinc/34/99/86/1034349986.db2.gz BYPFOLUPMGLVRT-HTAPYJJXSA-N 1 0 378.472 3.563 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC001231029708 1034350068 /nfs/dbraw/zinc/35/00/68/1034350068.db2.gz DRFLZWBBFVKXCO-JOCHJYFZSA-N 1 0 392.499 3.953 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1C#N ZINC001231030549 1034351047 /nfs/dbraw/zinc/35/10/47/1034351047.db2.gz KKRKGSKYUGKHHY-LJQANCHMSA-N 1 0 384.863 3.580 20 30 GHEDRO COc1c(O[C@H](C)CS)ccc2cc3[n+](cc21)CCc1cc2c(cc1-3)OCO2 ZINC001231101426 1034398177 /nfs/dbraw/zinc/39/81/77/1034398177.db2.gz YSJKWBTVRCTSRG-CYBMUJFWSA-O 1 0 396.488 3.785 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001159287726 1034524604 /nfs/dbraw/zinc/52/46/04/1034524604.db2.gz DRLFINPSYTVKOR-PHZGNYQRSA-N 1 0 399.951 3.753 20 30 GHEDRO Cc1cc(Nc2nc(-c3ccc(C#N)s3)cs2)cnc1N1CC[NH2+]CC1 ZINC001159399604 1034582149 /nfs/dbraw/zinc/58/21/49/1034582149.db2.gz DVFCQNOEANCMRN-UHFFFAOYSA-N 1 0 382.518 3.600 20 30 GHEDRO N#Cc1ccnc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1F ZINC001159519165 1034635292 /nfs/dbraw/zinc/63/52/92/1034635292.db2.gz BXWZINIEMGTWGP-NRFANRHFSA-N 1 0 390.462 3.568 20 30 GHEDRO CCc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)s1 ZINC001231498555 1034641466 /nfs/dbraw/zinc/64/14/66/1034641466.db2.gz FUAAQZMPZFPNQS-QFIPXVFZSA-N 1 0 396.560 3.696 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(OCCCOC)cc1)C2 ZINC001231506655 1034651580 /nfs/dbraw/zinc/65/15/80/1034651580.db2.gz KZVBSDLUUXKGFC-HSZRJFAPSA-N 1 0 386.536 3.635 20 30 GHEDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)c1 ZINC001276550816 1034675189 /nfs/dbraw/zinc/67/51/89/1034675189.db2.gz IDKFNHMOBMLASQ-FQEVSTJZSA-N 1 0 375.900 3.609 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)Nc2cc(CC#N)ccn2)[NH+](C)C)cc1 ZINC001208112018 1034740085 /nfs/dbraw/zinc/74/00/85/1034740085.db2.gz MUAGQZIOWVBUDA-HXUWFJFHSA-N 1 0 379.508 3.771 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)cc3OC)C[C@@H]2c2ccccc2)C1=O ZINC001231602196 1034759466 /nfs/dbraw/zinc/75/94/66/1034759466.db2.gz VTGNGCMWIQIPIG-QPPBQGQZSA-N 1 0 394.490 3.838 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)CC1 ZINC001208176283 1034775864 /nfs/dbraw/zinc/77/58/64/1034775864.db2.gz DQSWIWHFQPOFCA-JOCHJYFZSA-N 1 0 395.547 3.578 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3C)CC2)c1 ZINC001231622586 1034780701 /nfs/dbraw/zinc/78/07/01/1034780701.db2.gz ABSRKGWAEGTXCB-QFIPXVFZSA-N 1 0 391.515 3.627 20 30 GHEDRO N#Cc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001159951949 1034799249 /nfs/dbraw/zinc/79/92/49/1034799249.db2.gz JGDIPIAHMRLVJR-CQSZACIVSA-N 1 0 383.411 3.775 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)c1 ZINC001231656564 1034812950 /nfs/dbraw/zinc/81/29/50/1034812950.db2.gz ATXMECPMWNXOEC-QFIPXVFZSA-N 1 0 376.500 3.761 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001208224458 1034813487 /nfs/dbraw/zinc/81/34/87/1034813487.db2.gz YZBMUPMAIHQRNZ-UPVQGACJSA-N 1 0 385.548 3.809 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001231657201 1034814275 /nfs/dbraw/zinc/81/42/75/1034814275.db2.gz OQFKOXBOGPDLEN-QFIPXVFZSA-N 1 0 381.470 3.796 20 30 GHEDRO COc1ccc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001208406018 1034885675 /nfs/dbraw/zinc/88/56/75/1034885675.db2.gz RZNUYLUQQBPZOO-DLBZAZTESA-N 1 0 378.476 3.694 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(n3c4ccccc4oc3=O)CC2)cc1 ZINC001231818232 1034927417 /nfs/dbraw/zinc/92/74/17/1034927417.db2.gz VFGIGLDGUCJOGA-UHFFFAOYSA-N 1 0 390.487 3.781 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(N(C)CCC#N)cc1)[C@@H]2C ZINC001231819866 1034928250 /nfs/dbraw/zinc/92/82/50/1034928250.db2.gz UAVAJOMPTDEECD-LJQANCHMSA-N 1 0 394.567 3.650 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cc1 ZINC001160522638 1034994347 /nfs/dbraw/zinc/99/43/47/1034994347.db2.gz WSCPJGFEEMJAJI-SFHVURJKSA-N 1 0 388.512 3.664 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@@H]3C[NH2+]C[C@H](c4ccccc4)C3)CC2)cc1 ZINC001160566462 1035004261 /nfs/dbraw/zinc/00/42/61/1035004261.db2.gz QPYKEWDEOCRGHU-RPWUZVMVSA-N 1 0 387.527 3.733 20 30 GHEDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001160665483 1035028920 /nfs/dbraw/zinc/02/89/20/1035028920.db2.gz LRINUKMWRUDRQA-PXNSSMCTSA-N 1 0 389.478 3.873 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1C#N ZINC001160738908 1035050974 /nfs/dbraw/zinc/05/09/74/1035050974.db2.gz KZZOKPFJYIYJIF-KBPBESRZSA-N 1 0 393.438 3.689 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2cn(CC3CC3)nc21 ZINC001208850085 1035056723 /nfs/dbraw/zinc/05/67/23/1035056723.db2.gz WLHBDMMQHAWYOB-JOCHJYFZSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)c1 ZINC001208849790 1035057129 /nfs/dbraw/zinc/05/71/29/1035057129.db2.gz MUXGKDIHHFPBEL-UHFFFAOYSA-N 1 0 390.487 3.903 20 30 GHEDRO CN(Cc1ccco1)[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)C[C@@H]2CCCO[C@H]12 ZINC001208850167 1035057205 /nfs/dbraw/zinc/05/72/05/1035057205.db2.gz ZBMYMOUUNUCHST-QTJGBDASSA-N 1 0 393.531 3.695 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 ZINC001208852891 1035059868 /nfs/dbraw/zinc/05/98/68/1035059868.db2.gz WADIMKVNFBUDBJ-HSZRJFAPSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC001208861171 1035064130 /nfs/dbraw/zinc/06/41/30/1035064130.db2.gz FCIYELUEYJCQRF-OAQYLSRUSA-N 1 0 397.473 3.519 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCCc1ccc(C(=O)OCC)cc1)C2 ZINC001208870353 1035069161 /nfs/dbraw/zinc/06/91/61/1035069161.db2.gz JFAHFQFXSNYHAW-GMAHTHKFSA-N 1 0 387.520 3.622 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)cc1 ZINC001208927333 1035093043 /nfs/dbraw/zinc/09/30/43/1035093043.db2.gz XYBWZBQNVMILIG-JOCHJYFZSA-N 1 0 390.531 3.733 20 30 GHEDRO CC[N@@H+](Cc1ccc(C#N)c(Cl)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001232119321 1035106967 /nfs/dbraw/zinc/10/69/67/1035106967.db2.gz WBSRXKISRBHUQI-NRFANRHFSA-N 1 0 383.923 3.935 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4ccc(C#N)c(Cl)c4)CC[N@@H+]3C2)cc1 ZINC001232120541 1035107374 /nfs/dbraw/zinc/10/73/74/1035107374.db2.gz URYZBWIBRREBOA-CTNGQTDRSA-N 1 0 381.907 3.858 20 30 GHEDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C1 ZINC001160993834 1035114503 /nfs/dbraw/zinc/11/45/03/1035114503.db2.gz DTMCQAJJCAGVDI-PTUXOGIPSA-N 1 0 387.527 3.733 20 30 GHEDRO C=CCN(CCN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1)C(=O)OCC ZINC001209020607 1035152351 /nfs/dbraw/zinc/15/23/51/1035152351.db2.gz LCXVDLQMUXHMEV-UHFFFAOYSA-N 1 0 393.959 3.881 20 30 GHEDRO COC(=O)c1cccc(C[NH+]2CCC(Nc3nc(C(C)C)ccc3C#N)CC2)c1 ZINC001161171571 1035165867 /nfs/dbraw/zinc/16/58/67/1035165867.db2.gz ZSCIVRTVNBMGEB-UHFFFAOYSA-N 1 0 392.503 3.940 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001209128994 1035185961 /nfs/dbraw/zinc/18/59/61/1035185961.db2.gz PCRSVJDPIMHHEZ-SFHVURJKSA-N 1 0 379.426 3.783 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](CCc1ccc3c(c1)CCO3)CC2 ZINC001209141739 1035191195 /nfs/dbraw/zinc/19/11/95/1035191195.db2.gz ZFYYGMLOMONAEO-UHFFFAOYSA-N 1 0 384.520 3.665 20 30 GHEDRO C#CCNC(=O)[C@@H]1CC12CCN(Cc1c(Cl)ccc(Cl)c1Cl)CC2 ZINC001276620413 1035195088 /nfs/dbraw/zinc/19/50/88/1035195088.db2.gz HWUTXNKTSXUELL-ZDUSSCGKSA-N 1 0 385.722 3.998 20 30 GHEDRO C=CCCCC[N@@H+]1CCc2nc(C(=O)NCc3ccc(OC)cc3)sc2CC1 ZINC001209201323 1035206474 /nfs/dbraw/zinc/20/64/74/1035206474.db2.gz XXQOFANEPMNSKI-UHFFFAOYSA-N 1 0 399.560 3.839 20 30 GHEDRO C=CCCCC[N@H+]1CC[C@@H]2CN(Cc3ccc(Cl)cc3)S(=O)(=O)[C@@H]2CC1 ZINC001209201039 1035206559 /nfs/dbraw/zinc/20/65/59/1035206559.db2.gz UCPRLAPABJZYTA-UYAOXDASSA-N 1 0 396.984 3.922 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)cc2)C1 ZINC001209329978 1035243113 /nfs/dbraw/zinc/24/31/13/1035243113.db2.gz MUHNXRYOBKLYQU-DAYGRLMNSA-N 1 0 396.457 3.808 20 30 GHEDRO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001461954652 1069912911 /nfs/dbraw/zinc/91/29/11/1069912911.db2.gz AZBKUHTZPNXFNU-NRFANRHFSA-N 1 0 389.543 3.965 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CC3C[C@@H](C)O[C@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001209380584 1035264129 /nfs/dbraw/zinc/26/41/29/1035264129.db2.gz MCBIHHVFNANKPG-FSNSLZAISA-N 1 0 382.548 3.694 20 30 GHEDRO C=CCCCCC[N@@H+]1CC[C@]2(C(=O)OC)CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001209433423 1035273265 /nfs/dbraw/zinc/27/32/65/1035273265.db2.gz WCOLQPRYVCAOSQ-UTKZUKDTSA-N 1 0 380.529 3.607 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(C)n3)CCO[C@H]2C1 ZINC001209435032 1035273659 /nfs/dbraw/zinc/27/36/59/1035273659.db2.gz DCWUCKJRZUKNAS-YADHBBJMSA-N 1 0 385.552 3.576 20 30 GHEDRO C=CCCCCCCC[N@H+]1CCc2nc(C(=O)N3CCOCC3)sc2CC1 ZINC001209440221 1035274467 /nfs/dbraw/zinc/27/44/67/1035274467.db2.gz AKZMMOHCULYIEE-UHFFFAOYSA-N 1 0 391.581 3.543 20 30 GHEDRO N#Cc1c(N[C@@H](c2ccc(C(F)(F)F)cn2)C2CC2)ncc2c1CCC[NH2+]C2 ZINC001161776534 1035298364 /nfs/dbraw/zinc/29/83/64/1035298364.db2.gz HNSYUETUYRBFHA-GOSISDBHSA-N 1 0 387.409 3.966 20 30 GHEDRO N#Cc1ccc(C(F)(F)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc1Cl ZINC001161885666 1035322505 /nfs/dbraw/zinc/32/25/05/1035322505.db2.gz YJAGWTSTCBJVDL-INIZCTEOSA-N 1 0 376.838 3.910 20 30 GHEDRO C=CCOc1ccc(-c2noc([C@@H]3C[C@H](Oc4ccccc4)C[NH2+]3)n2)c(F)c1 ZINC001248100227 1035530852 /nfs/dbraw/zinc/53/08/52/1035530852.db2.gz YUADACIADUJOAS-LPHOPBHVSA-N 1 0 381.407 3.923 20 30 GHEDRO COc1ccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)c2ccccc12 ZINC001248156665 1035582417 /nfs/dbraw/zinc/58/24/17/1035582417.db2.gz ZQFSEYBGQALIED-QGZVFWFLSA-N 1 0 384.439 3.883 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cccc(OC(F)(F)F)c3)no2)c1 ZINC001248156691 1035582773 /nfs/dbraw/zinc/58/27/73/1035582773.db2.gz ZZZFNTGPKWOTPL-OAHLLOKOSA-N 1 0 388.349 3.619 20 30 GHEDRO Cc1ccc(Br)c(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)c1 ZINC001248179309 1035606726 /nfs/dbraw/zinc/60/67/26/1035606726.db2.gz FUUFAEDGIUNIRQ-HNNXBMFYSA-N 1 0 397.276 3.792 20 30 GHEDRO C=CCOc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(F)c(F)c3)n2)c(F)c1 ZINC001248196495 1035625890 /nfs/dbraw/zinc/62/58/90/1035625890.db2.gz GDJTYRXXRSDOQZ-ZDUSSCGKSA-N 1 0 389.377 3.831 20 30 GHEDRO C[NH+]1CCN(CCNc2ccc(-c3cc(CC#N)cc4ccccc43)cn2)CC1 ZINC001241573119 1035626445 /nfs/dbraw/zinc/62/64/45/1035626445.db2.gz JZKXOKWLZQFXKQ-UHFFFAOYSA-N 1 0 385.515 3.627 20 30 GHEDRO Cc1nccn1CC(=O)c1cccc(-c2noc(COc3ccccc3C#N)n2)c1 ZINC001248262732 1035709824 /nfs/dbraw/zinc/70/98/24/1035709824.db2.gz PHCGSSIBYOONSS-UHFFFAOYSA-N 1 0 399.410 3.575 20 30 GHEDRO C#Cc1cccc(-c2nc(C[N@@H+]3CC[C@H](CO)C3)ccc2NC(=O)C(C)(C)C)c1 ZINC001241917907 1035748193 /nfs/dbraw/zinc/74/81/93/1035748193.db2.gz ZPFMDQSADLANRM-SFHVURJKSA-N 1 0 391.515 3.529 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001242119227 1035819492 /nfs/dbraw/zinc/81/94/92/1035819492.db2.gz PKYUYCLRNMDRAY-SFHVURJKSA-N 1 0 378.476 3.688 20 30 GHEDRO CC#Cc1cncc(-c2cc(C(=O)NCC[NH+](CC)CC)c3ccccc3n2)c1 ZINC001242938814 1035999688 /nfs/dbraw/zinc/99/96/88/1035999688.db2.gz ICECPTOMEPWUAS-UHFFFAOYSA-N 1 0 386.499 3.740 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001248749752 1036106053 /nfs/dbraw/zinc/10/60/53/1036106053.db2.gz KTQIHWGCMHJFIF-DEOSSOPVSA-N 1 0 391.490 3.884 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CCN(Cc3cccnc3)C2=O)CC1 ZINC001248749814 1036106676 /nfs/dbraw/zinc/10/66/76/1036106676.db2.gz MJXOLSFVBCWPMG-UHFFFAOYSA-N 1 0 388.515 3.530 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001248752977 1036109896 /nfs/dbraw/zinc/10/98/96/1036109896.db2.gz KDVOUAFVOSCCFD-MRXNPFEDSA-N 1 0 376.382 3.583 20 30 GHEDRO N#Cc1cc(-c2ccc(OCC3CC[NH2+]CC3)cn2)ccc1OC1CCOCC1 ZINC001245304694 1036864479 /nfs/dbraw/zinc/86/44/79/1036864479.db2.gz JDIZMEFKHZFHOR-UHFFFAOYSA-N 1 0 393.487 3.556 20 30 GHEDRO CCc1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc(OC)c1C(=O)OC ZINC001245385935 1036906152 /nfs/dbraw/zinc/90/61/52/1036906152.db2.gz IQAJEQUXUCXOLQ-UHFFFAOYSA-N 1 0 378.472 3.856 20 30 GHEDRO CC(C)(C)C[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC001245799732 1037004008 /nfs/dbraw/zinc/00/40/08/1037004008.db2.gz KOCYYVMMSSIKER-AWEZNQCLSA-N 1 0 384.471 3.984 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC001245800330 1037004528 /nfs/dbraw/zinc/00/45/28/1037004528.db2.gz RPRUYKFWUCCCEU-UHFFFAOYSA-N 1 0 382.455 3.738 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001245914516 1037053727 /nfs/dbraw/zinc/05/37/27/1037053727.db2.gz MBRBMPCGRWWTBC-UXHICEINSA-N 1 0 376.529 3.709 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN[C@@H]1CCC[NH2+]C1 ZINC001245982587 1037107580 /nfs/dbraw/zinc/10/75/80/1037107580.db2.gz KYAZZFPKXDRFJY-FGZHOGPDSA-N 1 0 386.621 3.643 20 30 GHEDRO CCCCCCCCCC[NH+]1CC2(CN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001278442626 1037288815 /nfs/dbraw/zinc/28/88/15/1037288815.db2.gz XUWDUBXFBPSTKS-UHFFFAOYSA-N 1 0 380.964 3.821 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)CN1 ZINC001246888077 1037703111 /nfs/dbraw/zinc/70/31/11/1037703111.db2.gz RDNYACHDMKNMAM-YSZBQJHXSA-N 1 0 391.515 3.805 20 30 GHEDRO N#Cc1ccc(-c2noc([C@H](c3cccs3)N3CC([NH3+])C3)n2)c2ccccc12 ZINC001247324609 1038118125 /nfs/dbraw/zinc/11/81/25/1038118125.db2.gz RQFWYLXOMWSTST-IBGZPJMESA-N 1 0 387.468 3.555 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1OC(C)C)C2 ZINC001232392909 1038177086 /nfs/dbraw/zinc/17/70/86/1038177086.db2.gz QQZZQQFVPASSPZ-UNMCSNQZSA-N 1 0 375.509 3.809 20 30 GHEDRO Cc1c(F)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1F ZINC001232423722 1038206002 /nfs/dbraw/zinc/20/60/02/1038206002.db2.gz UTUSUMZYLCOGDI-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)ccn2)CC1 ZINC001232476516 1038259791 /nfs/dbraw/zinc/25/97/91/1038259791.db2.gz BFSUTLYBOFTYQM-FQEVSTJZSA-N 1 0 384.524 3.955 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(Br)c(C)s3)C2)C1=O ZINC001277679071 1038307719 /nfs/dbraw/zinc/30/77/19/1038307719.db2.gz AIFCJFGTBHGLHB-QGZVFWFLSA-N 1 0 383.355 3.820 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc([C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)n2)c1 ZINC001247850646 1038425456 /nfs/dbraw/zinc/42/54/56/1038425456.db2.gz LLABFNOWDLAGNW-KRWDZBQOSA-N 1 0 390.418 3.784 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3CC[C@]4(C3)C[NH2+]CCO4)n2)cc1Cl ZINC001247916197 1038490976 /nfs/dbraw/zinc/49/09/76/1038490976.db2.gz HWTIXAMAAXFGMX-QGHHPUGFSA-N 1 0 379.247 3.541 20 30 GHEDRO N#Cc1ccc(-c2noc(C3=NO[C@@H]4CCC5(CC[NH2+]CC5)[C@H]34)n2)c2ccccc12 ZINC001247940249 1038510204 /nfs/dbraw/zinc/51/02/04/1038510204.db2.gz WBORNFLQYAKSQI-MOPGFXCFSA-N 1 0 399.454 3.644 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(F)c(C)cc3Br)CC2)C1=O ZINC001277733444 1038709053 /nfs/dbraw/zinc/70/90/53/1038709053.db2.gz PEIKZIRZHMTPMI-UHFFFAOYSA-N 1 0 395.316 3.897 20 30 GHEDRO Cc1ccc(CN2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C#N)c1 ZINC001232966360 1038740142 /nfs/dbraw/zinc/74/01/42/1038740142.db2.gz OTJOULHWLJKRBQ-JOCHJYFZSA-N 1 0 396.485 3.995 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1sccc1C(=O)OCC)[C@@H]2CC ZINC001233017050 1038770002 /nfs/dbraw/zinc/77/00/02/1038770002.db2.gz AVOBGUHVYDODEN-NQIIRXRSSA-N 1 0 390.549 3.846 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001252125376 1038871030 /nfs/dbraw/zinc/87/10/30/1038871030.db2.gz COGGVUIVUITDPL-KAOXLYBCSA-N 1 0 397.600 3.773 20 30 GHEDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233098807 1038873455 /nfs/dbraw/zinc/87/34/55/1038873455.db2.gz OEQOHAFFRMTDEM-UHFFFAOYSA-N 1 0 383.467 3.719 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC001252126922 1038873708 /nfs/dbraw/zinc/87/37/08/1038873708.db2.gz UUOAGDQUDHCSJJ-TZIWHRDSSA-N 1 0 377.573 3.870 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccc(C)n1 ZINC001252126141 1038874411 /nfs/dbraw/zinc/87/44/11/1038874411.db2.gz LVUSRCUUSNNDLI-BHIFYINESA-N 1 0 387.568 3.677 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001252127987 1038879721 /nfs/dbraw/zinc/87/97/21/1038879721.db2.gz HVLUEMXAORNMJR-MZYLBHOOSA-N 1 0 390.568 3.658 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001252136332 1038887852 /nfs/dbraw/zinc/88/78/52/1038887852.db2.gz OAYKSXXVLCQTCJ-RBUKOAKNSA-N 1 0 398.588 3.714 20 30 GHEDRO CCCC[N@H+](CCC)C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252322404 1038941690 /nfs/dbraw/zinc/94/16/90/1038941690.db2.gz ZCCZYNBRUUVFQZ-SFHVURJKSA-N 1 0 385.430 3.779 20 30 GHEDRO C[C@](O)(C[N@@H+]1CCC[C@H]2CCC[C@H]21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323597 1038942638 /nfs/dbraw/zinc/94/26/38/1038942638.db2.gz YWAJHJHIZHXMTI-XVSDVWIESA-N 1 0 395.425 3.531 20 30 GHEDRO C[C@@](O)(C[NH+]1CCCCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252324839 1038942653 /nfs/dbraw/zinc/94/26/53/1038942653.db2.gz OGQJLOMLKLCLDJ-LJQANCHMSA-N 1 0 397.441 3.923 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3cc(Br)c[nH]c3=O)CC2)cc1 ZINC001233188487 1038957263 /nfs/dbraw/zinc/95/72/63/1038957263.db2.gz PKSZUPSXFOKFPZ-UHFFFAOYSA-N 1 0 386.293 3.876 20 30 GHEDRO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001252512805 1039012749 /nfs/dbraw/zinc/01/27/49/1039012749.db2.gz BTODTDCBWALIMV-RPWUZVMVSA-N 1 0 392.543 3.996 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CC2CCC1CC2 ZINC001252513629 1039013657 /nfs/dbraw/zinc/01/36/57/1039013657.db2.gz BOULHZVGWXWJEX-UKLGZHLBSA-N 1 0 382.552 3.846 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2cc3c(ncn3C)c(-c3ccccc3)n2)CC1 ZINC001252551647 1039029764 /nfs/dbraw/zinc/02/97/64/1039029764.db2.gz XTRSJONKPSMEBU-HSZRJFAPSA-N 1 0 376.504 3.752 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H](CC(=O)NCC3CC3)c3ccccc32)CC1 ZINC001252595607 1039041022 /nfs/dbraw/zinc/04/10/22/1039041022.db2.gz JJCXWNOXQHHZGD-NHCUHLMSSA-N 1 0 396.575 3.751 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(O)c3[nH]c(=O)ccc13)[C@H]2CC ZINC001233292396 1039079784 /nfs/dbraw/zinc/07/97/84/1039079784.db2.gz KPTBWZIRZXHKKB-CVDCTZTESA-N 1 0 395.503 3.568 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC001233295258 1039083478 /nfs/dbraw/zinc/08/34/78/1039083478.db2.gz SPUUEWKUAXNFJW-KRWDZBQOSA-N 1 0 375.428 3.561 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(N)cc3Cl)CC2)cc1 ZINC001233377443 1039201741 /nfs/dbraw/zinc/20/17/41/1039201741.db2.gz FFXKZQICQHYNKQ-UHFFFAOYSA-N 1 0 383.883 3.580 20 30 GHEDRO N#Cc1cc(OC(F)(F)F)ccc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252937053 1039279028 /nfs/dbraw/zinc/27/90/28/1039279028.db2.gz CWUDTJVBTBUXDF-LJQANCHMSA-N 1 0 391.393 3.506 20 30 GHEDRO N#Cc1ccc(CCNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC001252977856 1039308062 /nfs/dbraw/zinc/30/80/62/1039308062.db2.gz SNRRPPKTNFHQPI-UHFFFAOYSA-N 1 0 398.510 3.781 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(S(=O)(=O)CC)nc1 ZINC001252978667 1039309803 /nfs/dbraw/zinc/30/98/03/1039309803.db2.gz CVLDWDISLHBBSV-LJQANCHMSA-N 1 0 384.586 3.857 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC2(CCC(=O)N2CCOC)CC1 ZINC001252986192 1039313622 /nfs/dbraw/zinc/31/36/22/1039313622.db2.gz TWPXIRLCEWKQIA-NRFANRHFSA-N 1 0 396.616 3.982 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)C(C)C)CC1 ZINC001252986302 1039314044 /nfs/dbraw/zinc/31/40/44/1039314044.db2.gz LKMXOSTXZWCOOX-HXUWFJFHSA-N 1 0 390.634 3.670 20 30 GHEDRO CCCC[C@H](CC)COC[C@H](O)CNc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001252995451 1039324130 /nfs/dbraw/zinc/32/41/30/1039324130.db2.gz XLPWVXKBGWEAMM-JKSUJKDBSA-N 1 0 379.570 3.613 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H](O)COC[C@H](CC)CCCC)CC2 ZINC001253001550 1039328996 /nfs/dbraw/zinc/32/89/96/1039328996.db2.gz VCSDJNLJUYHXDA-GIWBLDEGSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(C(F)(F)F)cc1O)CCO2 ZINC001233453381 1039338748 /nfs/dbraw/zinc/33/87/48/1039338748.db2.gz FFGHVANOYJCZBT-IEBWSBKVSA-N 1 0 385.426 3.985 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001253234395 1039487643 /nfs/dbraw/zinc/48/76/43/1039487643.db2.gz ANABJQMVAIZUBK-ILWGZMRPSA-N 1 0 388.527 3.603 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001253235960 1039489779 /nfs/dbraw/zinc/48/97/79/1039489779.db2.gz PJASYYSTAONSHB-WZYRSQIMSA-N 1 0 388.552 3.718 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001253236500 1039491740 /nfs/dbraw/zinc/49/17/40/1039491740.db2.gz DLLQQGWNCNZJJG-QFIPXVFZSA-N 1 0 399.579 3.897 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001253238187 1039495069 /nfs/dbraw/zinc/49/50/69/1039495069.db2.gz ARNGEORWSIKQDK-QFIPXVFZSA-N 1 0 384.564 3.829 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001253239234 1039496100 /nfs/dbraw/zinc/49/61/00/1039496100.db2.gz WNLBOZWMOLLXDF-QNWVGRARSA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1 ZINC001253239613 1039496625 /nfs/dbraw/zinc/49/66/25/1039496625.db2.gz OWFWSXNNAWAQGH-NRFANRHFSA-N 1 0 388.552 3.777 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001253239245 1039496808 /nfs/dbraw/zinc/49/68/08/1039496808.db2.gz XBBAFHORNCCPDR-AABGKKOBSA-N 1 0 377.598 3.927 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001253239472 1039497012 /nfs/dbraw/zinc/49/70/12/1039497012.db2.gz ZUNNXHNJSNOVLT-QFIPXVFZSA-N 1 0 388.600 3.738 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CCSCc1csc(CN(C)C)n1 ZINC001253250342 1039502830 /nfs/dbraw/zinc/50/28/30/1039502830.db2.gz XMGBJKAGBGLWRN-SFHVURJKSA-N 1 0 385.643 3.915 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001253255994 1039505605 /nfs/dbraw/zinc/50/56/05/1039505605.db2.gz QGIAIUSAWWMBQL-QFIPXVFZSA-N 1 0 383.536 3.640 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233736850 1039577829 /nfs/dbraw/zinc/57/78/29/1039577829.db2.gz RTYMMWOZESZXSR-IBGZPJMESA-N 1 0 398.425 3.824 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC001253429565 1039628210 /nfs/dbraw/zinc/62/82/10/1039628210.db2.gz RFFNWSYHSKYBOQ-IIBYNOLFSA-N 1 0 380.488 3.724 20 30 GHEDRO C[C@@H](CS)Oc1ccccc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001233829499 1039650482 /nfs/dbraw/zinc/65/04/82/1039650482.db2.gz SIYRPDAQMPDQQX-HNNXBMFYSA-N 1 0 380.554 3.873 20 30 GHEDRO C=CCN1CCC[C@@H]([NH2+]C[C@@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)C1=O ZINC001253494562 1039677005 /nfs/dbraw/zinc/67/70/05/1039677005.db2.gz OQPIKLFLAVHUNJ-KNQAVFIVSA-N 1 0 392.971 3.816 20 30 GHEDRO CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)CNC(=[NH2+])c1ccc(F)cn1 ZINC001253496769 1039678657 /nfs/dbraw/zinc/67/86/57/1039678657.db2.gz ITQKFTGMHAULDM-FQEVSTJZSA-N 1 0 377.891 3.989 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@H](c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608617 1039720058 /nfs/dbraw/zinc/72/00/58/1039720058.db2.gz DFAUFXPJWYAZDR-APWZRJJASA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1cncnc1 ZINC001253613527 1039721387 /nfs/dbraw/zinc/72/13/87/1039721387.db2.gz BQVLMHUTCDNCJH-JOCHJYFZSA-N 1 0 395.588 3.881 20 30 GHEDRO C=C[C@@H](O)C[NH2+]CCCCCCNC(=O)c1c2ccccc2nc2ccccc21 ZINC001253612220 1039722187 /nfs/dbraw/zinc/72/21/87/1039722187.db2.gz XHYNSUKIMNOWIB-GOSISDBHSA-N 1 0 391.515 3.815 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1CC[C@@H](O)C1 ZINC001253613999 1039723800 /nfs/dbraw/zinc/72/38/00/1039723800.db2.gz GVTYYORQSBGGDU-BHDDXSALSA-N 1 0 387.605 3.804 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001234007930 1039758577 /nfs/dbraw/zinc/75/85/77/1039758577.db2.gz MYFHJSCYLJSAJO-UHFFFAOYSA-N 1 0 389.455 3.864 20 30 GHEDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(-c2cccc(Oc3ccnc(C#N)n3)c2)cc1 ZINC001253781751 1039810308 /nfs/dbraw/zinc/81/03/08/1039810308.db2.gz CEXNLRKEYUUGJP-OAQYLSRUSA-N 1 0 388.471 3.914 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@H]2C[C@]3(CO2)CCCC[NH2+]3)cc1 ZINC001254068125 1039981455 /nfs/dbraw/zinc/98/14/55/1039981455.db2.gz MISMYKDAMUOMSY-RDGATRHJSA-N 1 0 398.510 3.895 20 30 GHEDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(F)c(C#N)cc2I)CC1 ZINC001234390956 1039996830 /nfs/dbraw/zinc/99/68/30/1039996830.db2.gz NMDHETKVNVJCJS-HAQNSBGRSA-N 1 0 388.224 3.554 20 30 GHEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001462447936 1070258413 /nfs/dbraw/zinc/25/84/13/1070258413.db2.gz YQHIVAXBMZKISX-GFCCVEGCSA-N 1 0 386.311 3.800 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ncc(Br)cn2)CC1 ZINC001254348065 1040181431 /nfs/dbraw/zinc/18/14/31/1040181431.db2.gz ABKGVVUJSXMYPI-UHFFFAOYSA-N 1 0 389.272 3.872 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC001254351830 1040185040 /nfs/dbraw/zinc/18/50/40/1040185040.db2.gz WDHKZOQHYZBXJE-UHFFFAOYSA-N 1 0 379.435 3.650 20 30 GHEDRO C[N@@H+]1CCC[C@@H](N2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001254524714 1040298699 /nfs/dbraw/zinc/29/86/99/1040298699.db2.gz YXXPTEOTUBXASL-GOSISDBHSA-N 1 0 376.342 3.791 20 30 GHEDRO CC[NH+]1CCC(Oc2cc(O)cc(OC)c2C(=O)/C=C/c2ccc(O)cc2)CC1 ZINC001234774571 1040302373 /nfs/dbraw/zinc/30/23/73/1040302373.db2.gz IYPJNSULLZZFBH-RMKNXTFCSA-N 1 0 397.471 3.866 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](Oc2cc(O)cc(OC)c2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001234775944 1040303888 /nfs/dbraw/zinc/30/38/88/1040303888.db2.gz BXAYBQVCIGATEJ-UFUQCMIWSA-N 1 0 397.471 3.866 20 30 GHEDRO C=CCO[C@H]1CCN(CC(=O)N[C@H](c2cccs2)c2ccc(CC)cc2)C1 ZINC001254559304 1040330512 /nfs/dbraw/zinc/33/05/12/1040330512.db2.gz ZHYUEGPDAJPVPO-UGKGYDQZSA-N 1 0 384.545 3.793 20 30 GHEDRO CC(=O)O/N=C(/C)c1ccccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001234846944 1040366727 /nfs/dbraw/zinc/36/67/27/1040366727.db2.gz PYNJUVNWPGTQLT-AXVPLRHPSA-N 1 0 396.487 3.644 20 30 GHEDRO CC(C)c1c(C#N)cccc1O[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001234854664 1040371830 /nfs/dbraw/zinc/37/18/30/1040371830.db2.gz PWVSLOXTFFZMJO-ROUUACIJSA-N 1 0 385.508 3.754 20 30 GHEDRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254659625 1040423196 /nfs/dbraw/zinc/42/31/96/1040423196.db2.gz RGAWMTXVLCEZDY-CTNGQTDRSA-N 1 0 389.547 3.869 20 30 GHEDRO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO3)cs1 ZINC001254663874 1040424639 /nfs/dbraw/zinc/42/46/39/1040424639.db2.gz SILQIIIVFMXIJI-LCLWPZTBSA-N 1 0 375.538 3.532 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254664576 1040426492 /nfs/dbraw/zinc/42/64/92/1040426492.db2.gz ITCWFHCEGRHWOE-WAOWUJCRSA-N 1 0 380.536 3.737 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)C1 ZINC001254664021 1040426805 /nfs/dbraw/zinc/42/68/05/1040426805.db2.gz SXFKQZGTCIJCHC-HBFSDRIKSA-N 1 0 393.531 3.748 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+]CCc3ccc(C#N)cc3)CC2)C1 ZINC001254715362 1040474597 /nfs/dbraw/zinc/47/45/97/1040474597.db2.gz QWWVTLWPKBRRSV-UHFFFAOYSA-N 1 0 399.535 3.639 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008261 1040498479 /nfs/dbraw/zinc/49/84/79/1040498479.db2.gz PRSDPTTUBGAMDX-DEOSSOPVSA-N 1 0 390.531 3.528 20 30 GHEDRO C=CC(C)(C)CCCNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001254996562 1040716315 /nfs/dbraw/zinc/71/63/15/1040716315.db2.gz VRXQMNQKWXIYOZ-UHFFFAOYSA-N 1 0 387.568 3.959 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1 ZINC001235270040 1040746816 /nfs/dbraw/zinc/74/68/16/1040746816.db2.gz VRLNFDBCFKXXJZ-JOCHJYFZSA-N 1 0 378.520 3.557 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC001255112197 1040794994 /nfs/dbraw/zinc/79/49/94/1040794994.db2.gz ZAOYLNJVTTYCPS-QFIPXVFZSA-N 1 0 397.563 3.762 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCC[C@H](C(=O)OCC)C1)CC2 ZINC001255358994 1040961243 /nfs/dbraw/zinc/96/12/43/1040961243.db2.gz YFOURDLNPIAEHU-RBUKOAKNSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOCc1ncn2c1CN([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CCC2 ZINC001255399873 1040986614 /nfs/dbraw/zinc/98/66/14/1040986614.db2.gz BCFZXDYSHDITBN-JOCHJYFZSA-N 1 0 394.563 3.846 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)C2 ZINC001235668440 1041120794 /nfs/dbraw/zinc/12/07/94/1041120794.db2.gz WKXZLBAGEHSDET-YJBOKZPZSA-N 1 0 387.398 3.617 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC001256211963 1041650927 /nfs/dbraw/zinc/65/09/27/1041650927.db2.gz FXVQLCFTGAJXNQ-GOSISDBHSA-N 1 0 389.503 3.930 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4C[NH2+][C@@H]4C3)c2)cc1 ZINC001236290113 1041661088 /nfs/dbraw/zinc/66/10/88/1041661088.db2.gz SZPZFRSSLCMSPQ-HNAYVOBHSA-N 1 0 384.277 3.517 20 30 GHEDRO C#CCOc1ccc(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236391833 1041696184 /nfs/dbraw/zinc/69/61/84/1041696184.db2.gz GATWOKOEFTZGAS-OAQYLSRUSA-N 1 0 382.479 3.601 20 30 GHEDRO C[C@H](Cc1ccccn1)[NH2+]CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001256406078 1041721146 /nfs/dbraw/zinc/72/11/46/1041721146.db2.gz SEFFYUYMIFZQDW-HXUWFJFHSA-N 1 0 395.506 3.939 20 30 GHEDRO COC(=O)c1cccc(CN(Cc2c(Cl)cccc2C#N)C2CC[NH2+]CC2)c1 ZINC001236465478 1041727170 /nfs/dbraw/zinc/72/71/70/1041727170.db2.gz UCUWYKZLBKUFIG-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO COc1cc(C)c(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(O)c1 ZINC001236822071 1041916658 /nfs/dbraw/zinc/91/66/58/1041916658.db2.gz XRRBAHDFLUKOGD-UHFFFAOYSA-N 1 0 382.460 3.633 20 30 GHEDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(C#N)c(Br)c1)CC2 ZINC001236858689 1041930899 /nfs/dbraw/zinc/93/08/99/1041930899.db2.gz JOYBWPXXHQJJFA-KRWDZBQOSA-N 1 0 393.325 3.586 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)c(Cl)c1)C2 ZINC001236905873 1041949320 /nfs/dbraw/zinc/94/93/20/1041949320.db2.gz QUTRPVYIVVJNNY-RXVVDRJESA-N 1 0 387.911 3.852 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)C1 ZINC001462580956 1070387062 /nfs/dbraw/zinc/38/70/62/1070387062.db2.gz NMUICTRWHRIQOT-HSALFYBXSA-N 1 0 377.573 3.632 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)C1 ZINC001462580954 1070387216 /nfs/dbraw/zinc/38/72/16/1070387216.db2.gz NMUICTRWHRIQOT-AABGKKOBSA-N 1 0 377.573 3.632 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001237119284 1042048669 /nfs/dbraw/zinc/04/86/69/1042048669.db2.gz CYANNOXVVCCNIX-LJQANCHMSA-N 1 0 382.863 3.795 20 30 GHEDRO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)ccc2[nH]1 ZINC001237314338 1042141331 /nfs/dbraw/zinc/14/13/31/1042141331.db2.gz RNRVWVPIDMXGNA-FQEVSTJZSA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1n[nH]c3cc(OC)ccc13)CC2 ZINC001237386639 1042183459 /nfs/dbraw/zinc/18/34/59/1042183459.db2.gz YQVZCAAGBPFQNG-UHFFFAOYSA-N 1 0 398.507 3.572 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237466888 1042219356 /nfs/dbraw/zinc/21/93/56/1042219356.db2.gz OTVGNANAKBRSPX-INIZCTEOSA-N 1 0 382.508 3.881 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c2cc(C#N)ccc21 ZINC001237468679 1042221176 /nfs/dbraw/zinc/22/11/76/1042221176.db2.gz NSAHZHBHUAVTCJ-UHFFFAOYSA-N 1 0 398.510 3.505 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c2cc(C#N)ccc21 ZINC001237473023 1042223819 /nfs/dbraw/zinc/22/38/19/1042223819.db2.gz QOBYFLBAHPQZLN-GOSISDBHSA-N 1 0 390.462 3.583 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(C#N)c(F)cc3F)C[C@@H]21 ZINC001237527934 1042251804 /nfs/dbraw/zinc/25/18/04/1042251804.db2.gz YJKLJWOKRHHXCA-ITSWEJNFSA-N 1 0 396.485 3.964 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1cccnc1OCC1CC[NH2+]CC1 ZINC001237541980 1042256553 /nfs/dbraw/zinc/25/65/53/1042256553.db2.gz NPUNJFPTXQTXSB-UHFFFAOYSA-N 1 0 383.558 3.562 20 30 GHEDRO N#Cc1ccc2nc(C[N@H+]3CC[C@H](c4ccc(Br)cc4)C3)cn2c1 ZINC001237613337 1042281920 /nfs/dbraw/zinc/28/19/20/1042281920.db2.gz GGEOZVVXDBBDFI-INIZCTEOSA-N 1 0 381.277 3.958 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001237749089 1042352276 /nfs/dbraw/zinc/35/22/76/1042352276.db2.gz PXIAWAYAJLKSRI-QFIPXVFZSA-N 1 0 397.881 3.975 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(OC)ccc1C(F)(F)F)CC2 ZINC001238050387 1042474564 /nfs/dbraw/zinc/47/45/64/1042474564.db2.gz FCYSIYJUFGRQRA-UHFFFAOYSA-N 1 0 398.425 3.934 20 30 GHEDRO COCCOc1cccc(N2CCN(Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC001238084818 1042486485 /nfs/dbraw/zinc/48/64/85/1042486485.db2.gz NTTDLCYZBVMEMK-UHFFFAOYSA-N 1 0 385.895 3.559 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(Cl)c1 ZINC001238083950 1042486549 /nfs/dbraw/zinc/48/65/49/1042486549.db2.gz ZOLDVEUKSFREJY-QFIPXVFZSA-N 1 0 397.881 3.975 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)ccc1Cl ZINC001238191387 1042514850 /nfs/dbraw/zinc/51/48/50/1042514850.db2.gz RZYGCDLDGHIKLH-QFIPXVFZSA-N 1 0 394.906 3.764 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)ccc1Cl ZINC001238191158 1042514902 /nfs/dbraw/zinc/51/49/02/1042514902.db2.gz IPWHQTHJHSBEEO-UHFFFAOYSA-N 1 0 383.879 3.933 20 30 GHEDRO COCC[N@H+](Cc1ccc(Cl)c(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001238195008 1042516263 /nfs/dbraw/zinc/51/62/63/1042516263.db2.gz ANTLKPYRDSYRPI-KRWDZBQOSA-N 1 0 393.915 3.669 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3cccc(-c4cccs4)n3)CC2)nc1 ZINC001238213745 1042521956 /nfs/dbraw/zinc/52/19/56/1042521956.db2.gz NFYQGSIEOPHPDW-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)ccc1C#N ZINC001238405748 1042586052 /nfs/dbraw/zinc/58/60/52/1042586052.db2.gz IFKKXFUGDWAPBR-QFIPXVFZSA-N 1 0 395.528 3.757 20 30 GHEDRO COc1cc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)ccc1C#N ZINC001238405727 1042586314 /nfs/dbraw/zinc/58/63/14/1042586314.db2.gz ICDWPAADDHXESB-UHFFFAOYSA-N 1 0 395.528 3.757 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(OC)ccc3-c3ccncc3)C2)C1=O ZINC001238651018 1042670126 /nfs/dbraw/zinc/67/01/26/1042670126.db2.gz TYFNILBUNIDRRB-XMMPIXPASA-N 1 0 391.515 3.758 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)ccc1C#N ZINC001238761782 1042718425 /nfs/dbraw/zinc/71/84/25/1042718425.db2.gz GDQXGCPDPMHQKR-RPWUZVMVSA-N 1 0 391.515 3.774 20 30 GHEDRO CCc1cc(C[NH+]2CCC(NC(=O)c3ccccc3OC)CC2)ccc1C#N ZINC001238771581 1042721410 /nfs/dbraw/zinc/72/14/10/1042721410.db2.gz HDCLQHFKLBUSHT-UHFFFAOYSA-N 1 0 377.488 3.524 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc1C#N ZINC001238773436 1042722074 /nfs/dbraw/zinc/72/20/74/1042722074.db2.gz ZAAMUDYXSGHRKM-KRWDZBQOSA-N 1 0 390.409 3.973 20 30 GHEDRO CCc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)ccc1C#N ZINC001238774832 1042722915 /nfs/dbraw/zinc/72/29/15/1042722915.db2.gz MCNXLPXIDAYTKV-VABKMULXSA-N 1 0 388.515 3.662 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001238826615 1042739432 /nfs/dbraw/zinc/73/94/32/1042739432.db2.gz YYJLTZKVERHZHC-UHFFFAOYSA-N 1 0 384.561 3.770 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001238842077 1042741408 /nfs/dbraw/zinc/74/14/08/1042741408.db2.gz IWJWYFRFDRYTGX-UHFFFAOYSA-N 1 0 394.418 3.770 20 30 GHEDRO CCC(CC)N([C@H]1CC[C@H]([NH3+])CC1)S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001239165077 1042777564 /nfs/dbraw/zinc/77/75/64/1042777564.db2.gz HHADOQXIDNYRPA-JCNLHEQBSA-N 1 0 383.945 3.661 20 30 GHEDRO CCCCCCCNC(=O)NCC1(Cc2ccc(OC)cc2)CC[NH2+]CC1 ZINC001239241691 1042795140 /nfs/dbraw/zinc/79/51/40/1042795140.db2.gz URWVLHGYWJCBNP-UHFFFAOYSA-N 1 0 375.557 3.877 20 30 GHEDRO N#Cc1cccc(NC(=S)NCC2(Cc3ccc(F)cc3)CC[NH2+]CC2)c1 ZINC001239384948 1042818323 /nfs/dbraw/zinc/81/83/23/1042818323.db2.gz FXTWEUCDWIQWSW-UHFFFAOYSA-N 1 0 382.508 3.596 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCCC[C@]23CCC[NH2+]C3)c(Br)c1 ZINC001239430222 1042827606 /nfs/dbraw/zinc/82/76/06/1042827606.db2.gz ZSOSHTBHGUMVGN-QGZVFWFLSA-N 1 0 393.354 3.626 20 30 GHEDRO Cc1cc(-c2ccc(COc3ccc(CC#N)cc3)cn2)cnc1N1CC[NH2+]CC1 ZINC001239728487 1042847147 /nfs/dbraw/zinc/84/71/47/1042847147.db2.gz AMTGWLWKJLCTBD-UHFFFAOYSA-N 1 0 399.498 3.507 20 30 GHEDRO CCN(CC)C(=O)c1cccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001240056603 1042878074 /nfs/dbraw/zinc/87/80/74/1042878074.db2.gz OHBPKSCYGODLGI-UHFFFAOYSA-N 1 0 377.488 3.838 20 30 GHEDRO N#Cc1cc(-c2cccc(C(=O)N3CCCCC3)c2)ccc1OC1CC[NH2+]CC1 ZINC001240064660 1042879568 /nfs/dbraw/zinc/87/95/68/1042879568.db2.gz FWLZAHLFTLNSMU-UHFFFAOYSA-N 1 0 389.499 3.982 20 30 GHEDRO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC001240490081 1042936336 /nfs/dbraw/zinc/93/63/36/1042936336.db2.gz QHLVZWSLSNQGFF-UHFFFAOYSA-N 1 0 379.279 3.733 20 30 GHEDRO CN(C)/C=N/c1ccc(-c2ccc(C3([NH+]4CCN(C)CC4)CC3)cc2)cc1C#N ZINC001240588934 1042943962 /nfs/dbraw/zinc/94/39/62/1042943962.db2.gz UZCUPBMSTSURMY-NLRVBDNBSA-N 1 0 387.531 3.683 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106203 1043081148 /nfs/dbraw/zinc/08/11/48/1043081148.db2.gz TUZBFYREYRETAC-IAGOWNOFSA-N 1 0 378.524 3.536 20 30 GHEDRO Cc1cc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc(C)c1C#N ZINC001292141234 1043602712 /nfs/dbraw/zinc/60/27/12/1043602712.db2.gz ZANGPQJIRAFZHD-NRFANRHFSA-N 1 0 389.499 3.893 20 30 GHEDRO COc1cc(C#N)ccc1OC1CCN([C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256923878 1043752880 /nfs/dbraw/zinc/75/28/80/1043752880.db2.gz SNMXHBAOZAVHFJ-FQEVSTJZSA-N 1 0 383.536 3.817 20 30 GHEDRO N#CC1CCC([NH+]2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001256970731 1043777932 /nfs/dbraw/zinc/77/79/32/1043777932.db2.gz CIIYQPQTDGIWRI-UHFFFAOYSA-N 1 0 379.426 3.982 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]Cc3cccc(N4CCOCC4=O)c3)CC2)cc1 ZINC001257013708 1043799748 /nfs/dbraw/zinc/79/97/48/1043799748.db2.gz KIZAOOIVSLFCNB-UHFFFAOYSA-N 1 0 389.499 3.737 20 30 GHEDRO CCOCc1nnn2c1C[N@@H+](C1CCC(c3ccc(C#N)cc3)CC1)CCC2 ZINC001257020059 1043805735 /nfs/dbraw/zinc/80/57/35/1043805735.db2.gz RSEWRRWLHNUPDR-UHFFFAOYSA-N 1 0 379.508 3.618 20 30 GHEDRO COCCN1C(=O)CCC12CC[NH+](C1CCC(c3ccc(C#N)cc3)CC1)CC2 ZINC001257021621 1043806241 /nfs/dbraw/zinc/80/62/41/1043806241.db2.gz YIZPZEATRHIOOQ-UHFFFAOYSA-N 1 0 395.547 3.688 20 30 GHEDRO C=CCOCc1nn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CC)C2)c2c1C[NH2+]C2 ZINC001257128009 1043874689 /nfs/dbraw/zinc/87/46/89/1043874689.db2.gz ATHKWXUTAWBITI-JKSUJKDBSA-N 1 0 390.528 3.540 20 30 GHEDRO C#CCCN1CCC[C@@H]([NH2+][C@H](C)CCc2ccc3cc(OC)ccc3c2)C1=O ZINC001257279480 1043954043 /nfs/dbraw/zinc/95/40/43/1043954043.db2.gz NLLHMXHEIPYZRF-WZONZLPQSA-N 1 0 378.516 3.773 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(N2CCCCCC2)nc1)C(C)C ZINC001292958590 1043965260 /nfs/dbraw/zinc/96/52/60/1043965260.db2.gz XICGYCPMEDZRGA-OAQYLSRUSA-N 1 0 384.568 3.890 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@@H]4COC[C@H](C3)N4C(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC001257890413 1044246366 /nfs/dbraw/zinc/24/63/66/1044246366.db2.gz KRKZOZGDYGGLLJ-XIQSSRBTSA-N 1 0 376.541 3.878 20 30 GHEDRO C=C1C[C@@H]2CC(N3CC[C@@H](OC)[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]43)C[C@H](C1)C2 ZINC001257891271 1044247448 /nfs/dbraw/zinc/24/74/48/1044247448.db2.gz IEYDMWZAYCDKMX-ZOGKATQASA-N 1 0 381.564 3.738 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCN(c4ncccc4C(=O)N(CC)CC)CC3)C[C@H](C1)C2 ZINC001257895684 1044250266 /nfs/dbraw/zinc/25/02/66/1044250266.db2.gz YAOUOXGWUZMAPH-WCRBZPEASA-N 1 0 396.579 3.821 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3COc4ccc(Cl)cc4C3)CC2)c1 ZINC001257954480 1044270883 /nfs/dbraw/zinc/27/08/83/1044270883.db2.gz YRSMOSOLAMTYOK-OAQYLSRUSA-N 1 0 381.907 3.769 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001294217737 1044530216 /nfs/dbraw/zinc/53/02/16/1044530216.db2.gz LDDHYRMBSGSCKJ-FPOVZHCZSA-N 1 0 392.551 3.927 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)C(F)(F)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC001294243056 1044544619 /nfs/dbraw/zinc/54/46/19/1044544619.db2.gz BIOYOFUFWHZAQN-QGZVFWFLSA-N 1 0 377.822 3.723 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC001258513240 1044589013 /nfs/dbraw/zinc/58/90/13/1044589013.db2.gz UDAIPNHQADOGBO-UHFFFAOYSA-N 1 0 379.302 3.659 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258524887 1044603064 /nfs/dbraw/zinc/60/30/64/1044603064.db2.gz ZHBAAZWUBDKJTO-RBBKRZOGSA-N 1 0 393.568 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC1(C)C ZINC001258552380 1044629867 /nfs/dbraw/zinc/62/98/67/1044629867.db2.gz APAPAUPQLWZFFE-IBGZPJMESA-N 1 0 398.551 3.858 20 30 GHEDRO C=CCOCc1nn([C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c2c1C[NH2+]C2 ZINC001258559954 1044637901 /nfs/dbraw/zinc/63/79/01/1044637901.db2.gz VGUGOXHTNUJHBF-HNNXBMFYSA-N 1 0 390.528 3.540 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001258714105 1044732252 /nfs/dbraw/zinc/73/22/52/1044732252.db2.gz IFNXMBWODSFUIV-QGZVFWFLSA-N 1 0 399.601 3.857 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001295369825 1044990839 /nfs/dbraw/zinc/99/08/39/1044990839.db2.gz KOQVKZZRDAYPPR-VGSWGCGISA-N 1 0 398.530 3.945 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1)C(C)C ZINC001295827476 1045156502 /nfs/dbraw/zinc/15/65/02/1045156502.db2.gz OKCAWLYLRVWFBS-QZTJIDSGSA-N 1 0 380.540 3.639 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001296040454 1045230329 /nfs/dbraw/zinc/23/03/29/1045230329.db2.gz VMIYCKBGQIPYPT-HZPDHXFCSA-N 1 0 386.931 3.536 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 ZINC001296059996 1045237006 /nfs/dbraw/zinc/23/70/06/1045237006.db2.gz KBFOBDAGHCQMEN-LJQANCHMSA-N 1 0 398.942 3.823 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc2c([nH]1)c(Br)ccc2OC ZINC001297380418 1045506885 /nfs/dbraw/zinc/50/68/85/1045506885.db2.gz YNCVWSKNCRNEDB-UHFFFAOYSA-N 1 0 394.313 3.519 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001298070215 1045694228 /nfs/dbraw/zinc/69/42/28/1045694228.db2.gz IYDRFFCDCTVKTI-HXUWFJFHSA-N 1 0 392.551 3.641 20 30 GHEDRO C[N@H+](CCn1c(-c2ccccc2)nnc1N1CCC(C)(C#N)CC1)C1CCCC1 ZINC001298699187 1045922204 /nfs/dbraw/zinc/92/22/04/1045922204.db2.gz ZVIAENRPNIKXPQ-UHFFFAOYSA-N 1 0 392.551 3.950 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1C[C@H](C(C)C)[NH+](CC=C)CC=C ZINC001300801312 1046169248 /nfs/dbraw/zinc/16/92/48/1046169248.db2.gz MXERNZBGOVDURW-NFBKMPQASA-N 1 0 381.568 3.846 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300906153 1046233701 /nfs/dbraw/zinc/23/37/01/1046233701.db2.gz JALMGGXFXPWRIS-QGZVFWFLSA-N 1 0 383.540 3.839 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300914061 1046237663 /nfs/dbraw/zinc/23/76/63/1046237663.db2.gz AVPNIXHKLQUMOP-OALUTQOASA-N 1 0 399.539 3.615 20 30 GHEDRO C=C(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001300956847 1046258790 /nfs/dbraw/zinc/25/87/90/1046258790.db2.gz JEDDFIZJQBHXNL-UHFFFAOYSA-N 1 0 394.567 3.542 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001301085985 1046329196 /nfs/dbraw/zinc/32/91/96/1046329196.db2.gz RRJMGTKMHOUJNF-WOJBJXKFSA-N 1 0 387.572 3.941 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001301286335 1046455276 /nfs/dbraw/zinc/45/52/76/1046455276.db2.gz NDHQBYUIYDRVCL-SFHVURJKSA-N 1 0 384.915 3.852 20 30 GHEDRO C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001301286782 1046455384 /nfs/dbraw/zinc/45/53/84/1046455384.db2.gz KWDVELKOUXKFDF-QGZVFWFLSA-N 1 0 378.524 3.923 20 30 GHEDRO C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001301304653 1046465856 /nfs/dbraw/zinc/46/58/56/1046465856.db2.gz HBRMAORTAWAZHC-FQEVSTJZSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(c1nnc(Cc2ccsc2)n1C[C@H](CC)[NH+]1CCCC1)C1CC1 ZINC001301329656 1046493046 /nfs/dbraw/zinc/49/30/46/1046493046.db2.gz LUZXWVQLJLCBGE-SFHVURJKSA-N 1 0 385.581 3.960 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CCC[NH+]1CCC(C)CC1 ZINC001301341190 1046501691 /nfs/dbraw/zinc/50/16/91/1046501691.db2.gz PCJJFOFBZLWWHU-UHFFFAOYSA-N 1 0 392.551 3.773 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCC1)C(C)C ZINC001301367236 1046512499 /nfs/dbraw/zinc/51/24/99/1046512499.db2.gz MBIYXNPCARTZFC-FQEVSTJZSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001301401416 1046527682 /nfs/dbraw/zinc/52/76/82/1046527682.db2.gz BGCUORKTPHIANC-UHFFFAOYSA-N 1 0 385.556 3.890 20 30 GHEDRO C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001301530293 1046583737 /nfs/dbraw/zinc/58/37/37/1046583737.db2.gz ROKYRACAHGJMED-RTBURBONSA-N 1 0 397.567 3.934 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CC[NH2+][C@H](Cc2cccc(OC)c2)C1 ZINC001301812769 1046718250 /nfs/dbraw/zinc/71/82/50/1046718250.db2.gz UREICPYKKCBEFD-GOSISDBHSA-N 1 0 382.529 3.630 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001263347382 1046729861 /nfs/dbraw/zinc/72/98/61/1046729861.db2.gz NSFNHJXMTUQQKJ-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC001302477970 1046950318 /nfs/dbraw/zinc/95/03/18/1046950318.db2.gz SHYCLAQOUGXFHE-SFHVURJKSA-N 1 0 375.463 3.763 20 30 GHEDRO C=CCOc1cccnc1C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001302852863 1047144677 /nfs/dbraw/zinc/14/46/77/1047144677.db2.gz QTTXOHGPHUWTSF-HXUWFJFHSA-N 1 0 379.504 3.773 20 30 GHEDRO CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303044999 1047259564 /nfs/dbraw/zinc/25/95/64/1047259564.db2.gz KOYYEDVDLIZWEZ-IBGZPJMESA-N 1 0 392.551 3.783 20 30 GHEDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC001303476079 1047399742 /nfs/dbraw/zinc/39/97/42/1047399742.db2.gz DTHNSEMGARTOIH-GOSISDBHSA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303737797 1047500075 /nfs/dbraw/zinc/50/00/75/1047500075.db2.gz QGATXZVPGKRPDC-QZTJIDSGSA-N 1 0 394.567 3.761 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC001305007274 1047835048 /nfs/dbraw/zinc/83/50/48/1047835048.db2.gz DHARVKBPZCGSSD-ZWKOTPCHSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)CC1)C[NH+]1CCCC1 ZINC001305073662 1047875429 /nfs/dbraw/zinc/87/54/29/1047875429.db2.gz LCLLUOCRYISSPW-LJQANCHMSA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)CC1(C)C ZINC001305080014 1047882530 /nfs/dbraw/zinc/88/25/30/1047882530.db2.gz WVVJJLCKTPYIFB-GOSISDBHSA-N 1 0 392.551 3.785 20 30 GHEDRO CCCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1nccn1C ZINC001279871159 1047974699 /nfs/dbraw/zinc/97/46/99/1047974699.db2.gz QKYGUUCRFUBHAM-KRWDZBQOSA-N 1 0 378.586 3.917 20 30 GHEDRO Cc1csc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC2(C#N)CCC2)c1Cl ZINC001279876085 1047977324 /nfs/dbraw/zinc/97/73/24/1047977324.db2.gz LCXHSGHWYZSGLG-MIFYACCESA-N 1 0 377.941 3.730 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=S)Nc1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC001279911605 1047986756 /nfs/dbraw/zinc/98/67/56/1047986756.db2.gz LTRSFEHEBLIFTE-KRWDZBQOSA-N 1 0 382.455 3.692 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCC[N@H+]1CCC ZINC001286289295 1048257139 /nfs/dbraw/zinc/25/71/39/1048257139.db2.gz LDEWJBBIHCDLEC-QZTJIDSGSA-N 1 0 383.515 3.807 20 30 GHEDRO C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001286316069 1048269741 /nfs/dbraw/zinc/26/97/41/1048269741.db2.gz GGUBJYLUJGFDGA-FQEVSTJZSA-N 1 0 395.551 3.962 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286329227 1048273923 /nfs/dbraw/zinc/27/39/23/1048273923.db2.gz RZFHOCGSAZNIDC-UHFFFAOYSA-N 1 0 379.552 3.511 20 30 GHEDRO C#CCCCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286343245 1048278911 /nfs/dbraw/zinc/27/89/11/1048278911.db2.gz IVEIFICPZZLXKZ-UHFFFAOYSA-N 1 0 383.540 3.818 20 30 GHEDRO C#CCCCn1c(CC(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001286351154 1048282618 /nfs/dbraw/zinc/28/26/18/1048282618.db2.gz BEZRQIMJXKHDRH-UHFFFAOYSA-N 1 0 379.552 3.602 20 30 GHEDRO C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286350649 1048282893 /nfs/dbraw/zinc/28/28/93/1048282893.db2.gz IOPAPRWBULCXBR-ZWKOTPCHSA-N 1 0 399.970 3.855 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCCCC1 ZINC001286428441 1048317094 /nfs/dbraw/zinc/31/70/94/1048317094.db2.gz SLSUABMQSFYIMP-UHFFFAOYSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001286431085 1048318646 /nfs/dbraw/zinc/31/86/46/1048318646.db2.gz RRRVXWHGPOEJPW-IBGZPJMESA-N 1 0 395.576 3.763 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001286523536 1048349710 /nfs/dbraw/zinc/34/97/10/1048349710.db2.gz YELNBGLSRHJHJL-XUZZJYLKSA-N 1 0 391.563 3.670 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286579617 1048373333 /nfs/dbraw/zinc/37/33/33/1048373333.db2.gz QGSPMEQUVQUMFO-HKUYNNGSSA-N 1 0 387.528 3.818 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001286581669 1048375199 /nfs/dbraw/zinc/37/51/99/1048375199.db2.gz MSDICIBHMIXALI-UXHICEINSA-N 1 0 389.588 3.552 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286582617 1048376289 /nfs/dbraw/zinc/37/62/89/1048376289.db2.gz AURXEHONAMUQOP-NRFANRHFSA-N 1 0 391.629 3.851 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306078791 1048396410 /nfs/dbraw/zinc/39/64/10/1048396410.db2.gz FAJOLTSFRAZSAY-JPYJTQIMSA-N 1 0 394.567 3.859 20 30 GHEDRO C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001286694403 1048455312 /nfs/dbraw/zinc/45/53/12/1048455312.db2.gz RHETVGNMDFVXRT-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001286708715 1048466076 /nfs/dbraw/zinc/46/60/76/1048466076.db2.gz XXUQOKHHKRLMSY-IBGZPJMESA-N 1 0 397.567 3.631 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@@H+](C)C(C)C ZINC001286715084 1048470994 /nfs/dbraw/zinc/47/09/94/1048470994.db2.gz VXLSYKHQGOJHPF-INIZCTEOSA-N 1 0 375.492 3.520 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C)o2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001286720155 1048475501 /nfs/dbraw/zinc/47/55/01/1048475501.db2.gz UJOZCZWGDWWNKD-KRWDZBQOSA-N 1 0 391.519 3.916 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001286719945 1048475852 /nfs/dbraw/zinc/47/58/52/1048475852.db2.gz NUJYLGWGSOENPX-LJQANCHMSA-N 1 0 397.548 3.940 20 30 GHEDRO C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+](C)C1CCCC1 ZINC001286721977 1048478308 /nfs/dbraw/zinc/47/83/08/1048478308.db2.gz AJHKRBPVVYGKKU-UHFFFAOYSA-N 1 0 378.524 3.923 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[NH+](CC)CC)C1CC1 ZINC001286735222 1048493810 /nfs/dbraw/zinc/49/38/10/1048493810.db2.gz RNGYAHHEUZBJNY-KRWDZBQOSA-N 1 0 378.524 3.702 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286759194 1048512355 /nfs/dbraw/zinc/51/23/55/1048512355.db2.gz LQRRMLXCXIVKAO-VQTJNVASSA-N 1 0 394.567 3.563 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC001286794514 1048524843 /nfs/dbraw/zinc/52/48/43/1048524843.db2.gz JDRKMHUGVZFGLS-QUCCMNQESA-N 1 0 395.551 3.688 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC001286794513 1048524987 /nfs/dbraw/zinc/52/49/87/1048524987.db2.gz JDRKMHUGVZFGLS-ICSRJNTNSA-N 1 0 395.551 3.688 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001286966365 1048558428 /nfs/dbraw/zinc/55/84/28/1048558428.db2.gz ZUQNAUNATVSSIM-PXNSSMCTSA-N 1 0 378.524 3.558 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001287205216 1048651841 /nfs/dbraw/zinc/65/18/41/1048651841.db2.gz ANEOVMGUELSFTO-QHCPKHFHSA-N 1 0 392.551 3.590 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001287694413 1048891328 /nfs/dbraw/zinc/89/13/28/1048891328.db2.gz SMPAMKKDQXHFQC-DNVFCKCGSA-N 1 0 375.516 3.621 20 30 GHEDRO COC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c(C#N)n1 ZINC001306932575 1048966266 /nfs/dbraw/zinc/96/62/66/1048966266.db2.gz YYFQKFBFWPSVIX-IRXDYDNUSA-N 1 0 392.503 3.830 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001307163491 1049111806 /nfs/dbraw/zinc/11/18/06/1049111806.db2.gz UXUFCGSLMJOEPQ-MRXNPFEDSA-N 1 0 393.384 3.895 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001288679575 1049195232 /nfs/dbraw/zinc/19/52/32/1049195232.db2.gz NXVDGWZJEOGJAB-MSOLQXFVSA-N 1 0 382.556 3.834 20 30 GHEDRO CC1(C)CCC[N@H+](CCn2c(-c3ccc[nH]3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001289010486 1049284974 /nfs/dbraw/zinc/28/49/74/1049284974.db2.gz MIBCIIFWGQVWDL-UHFFFAOYSA-N 1 0 395.555 3.525 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307454576 1049291332 /nfs/dbraw/zinc/29/13/32/1049291332.db2.gz XUGJPHHYDAWVIY-VQTJNVASSA-N 1 0 387.524 3.700 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCc3cccc(F)c3)C3CC3)C2=O)cc1 ZINC001307477303 1049315546 /nfs/dbraw/zinc/31/55/46/1049315546.db2.gz CVGKYKPXHXIOEW-JOCHJYFZSA-N 1 0 377.463 3.900 20 30 GHEDRO CC[N@H+](Cc1cc(=O)n2ncc(C#N)c2[nH]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001307500618 1049341715 /nfs/dbraw/zinc/34/17/15/1049341715.db2.gz OQENSTWRYBLQRJ-IBGZPJMESA-N 1 0 381.455 3.535 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509906 1049351235 /nfs/dbraw/zinc/35/12/35/1049351235.db2.gz MUQFSOTYPZIYQB-YKSBVNFPSA-N 1 0 389.543 3.981 20 30 GHEDRO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307514898 1049356109 /nfs/dbraw/zinc/35/61/09/1049356109.db2.gz OYRDQCUIFSESPC-LJQANCHMSA-N 1 0 381.561 3.646 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001307571187 1049412344 /nfs/dbraw/zinc/41/23/44/1049412344.db2.gz DUAOTMLKCUBDJC-UHFFFAOYSA-N 1 0 392.886 3.700 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1cc(Cl)ccc1OC(F)F ZINC001307618062 1049453480 /nfs/dbraw/zinc/45/34/80/1049453480.db2.gz VQLOXOHLDFZLIO-SWLSCSKDSA-N 1 0 396.821 3.904 20 30 GHEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC001307789901 1049593518 /nfs/dbraw/zinc/59/35/18/1049593518.db2.gz UIPSHLDHYPYWJE-YLJYHZDGSA-N 1 0 385.305 3.919 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001307809000 1049606210 /nfs/dbraw/zinc/60/62/10/1049606210.db2.gz VSUJLPGMNNMIJC-WQMHRJNTSA-N 1 0 390.616 3.894 20 30 GHEDRO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001308015412 1049765505 /nfs/dbraw/zinc/76/55/05/1049765505.db2.gz FGHQLIKPTWGGLK-INIZCTEOSA-N 1 0 392.528 3.689 20 30 GHEDRO COc1ccccc1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC001308028842 1049779946 /nfs/dbraw/zinc/77/99/46/1049779946.db2.gz ZTQZMWHIUDFZPB-SFTDATJTSA-N 1 0 394.515 3.771 20 30 GHEDRO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1c1cnccn1 ZINC001308175162 1049901543 /nfs/dbraw/zinc/90/15/43/1049901543.db2.gz XGMXBOSSVKIWJI-NRFANRHFSA-N 1 0 397.526 3.887 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC001308764459 1050086805 /nfs/dbraw/zinc/08/68/05/1050086805.db2.gz JQZJRLYRLKETGA-LJQANCHMSA-N 1 0 384.524 3.811 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)n2)C1 ZINC001308808753 1050103506 /nfs/dbraw/zinc/10/35/06/1050103506.db2.gz BONUSIXRRZSYQV-YLJYHZDGSA-N 1 0 384.524 3.955 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001308941203 1050201482 /nfs/dbraw/zinc/20/14/82/1050201482.db2.gz OCQHLGXSYNBCGZ-SJLPKXTDSA-N 1 0 386.540 3.607 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)s1 ZINC001327978427 1050343649 /nfs/dbraw/zinc/34/36/49/1050343649.db2.gz PSOAZGHVVLRAMK-AWEZNQCLSA-N 1 0 385.986 3.535 20 30 GHEDRO C=C[C@@H](COC)NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001328123011 1050402466 /nfs/dbraw/zinc/40/24/66/1050402466.db2.gz VUEGBELIKSGZMH-LEWJYISDSA-N 1 0 385.552 3.520 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccc(OC)cc2OC)cc1 ZINC001328570152 1050546695 /nfs/dbraw/zinc/54/66/95/1050546695.db2.gz LXGDCUUNYOWEIH-JTSKRJEESA-N 1 0 398.503 3.692 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3csc(-c4ccco4)n3)CC2)c1 ZINC001329613193 1050861442 /nfs/dbraw/zinc/86/14/42/1050861442.db2.gz STXUOIAOGUAZHF-UHFFFAOYSA-N 1 0 392.484 3.669 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[NH+]([C@@H](CC)c3ccccc3)CC2)c1 ZINC001310302953 1051279915 /nfs/dbraw/zinc/27/99/15/1051279915.db2.gz MRWVCVIYPPBOAF-QFIPXVFZSA-N 1 0 377.488 3.999 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)NCC#C[C@@H]3CCCCO3)c2)CC1 ZINC001310446388 1051363571 /nfs/dbraw/zinc/36/35/71/1051363571.db2.gz QNKICSCJOGPWIX-QFIPXVFZSA-N 1 0 383.536 3.655 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001332010806 1051436680 /nfs/dbraw/zinc/43/66/80/1051436680.db2.gz NUAQCRXFOYGTTK-LPTQZCDUSA-N 1 0 380.467 3.845 20 30 GHEDRO C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(SC(F)(F)F)c1 ZINC001333296964 1051711875 /nfs/dbraw/zinc/71/18/75/1051711875.db2.gz DXBJFHLUOJLYNJ-DHFKXCJNSA-N 1 0 383.439 3.615 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@@H]1C(F)(F)F ZINC001333724827 1051821808 /nfs/dbraw/zinc/82/18/08/1051821808.db2.gz SZLJEOZBVBXDIN-OIISXLGYSA-N 1 0 384.398 3.589 20 30 GHEDRO Cc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)ncc1C#N ZINC001311071235 1051825263 /nfs/dbraw/zinc/82/52/63/1051825263.db2.gz JJVSSJRXEDPBKN-HXUWFJFHSA-N 1 0 377.492 3.856 20 30 GHEDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC001334155014 1051912276 /nfs/dbraw/zinc/91/22/76/1051912276.db2.gz LMDBUTQWCCKOGD-UHFFFAOYSA-N 1 0 392.341 3.761 20 30 GHEDRO N#CCc1ccccc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001334859497 1051991665 /nfs/dbraw/zinc/99/16/65/1051991665.db2.gz PYBMPOXQXSKQFL-TZRRMPRUSA-N 1 0 387.527 3.712 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCC2(CCCCC2)O1)C(C)C ZINC001311388445 1052079965 /nfs/dbraw/zinc/07/99/65/1052079965.db2.gz OIBQIZRJUCYFSU-WOJBJXKFSA-N 1 0 377.573 3.866 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001336086267 1052225138 /nfs/dbraw/zinc/22/51/38/1052225138.db2.gz ZUTDRTZEAHDONG-CYBMUJFWSA-N 1 0 398.406 3.733 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001336224051 1052240514 /nfs/dbraw/zinc/24/05/14/1052240514.db2.gz SCZINAMGHKUQAT-GRSYGWAWSA-N 1 0 388.515 3.527 20 30 GHEDRO C[N@H+](CCc1nccc(C(F)(F)F)n1)Cc1ccc(C#N)cc1OC(F)F ZINC001336476553 1052277683 /nfs/dbraw/zinc/27/76/83/1052277683.db2.gz HVSYJVOYXIRHCO-UHFFFAOYSA-N 1 0 386.324 3.643 20 30 GHEDRO C[C@H]1CCc2ccccc2N1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001337261315 1052435407 /nfs/dbraw/zinc/43/54/07/1052435407.db2.gz IODMZHACJPPQSP-FQEVSTJZSA-N 1 0 388.559 3.954 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC001337471887 1052480972 /nfs/dbraw/zinc/48/09/72/1052480972.db2.gz MIBNCXNTGDHVPL-QGZVFWFLSA-N 1 0 399.926 3.817 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001312128867 1052588878 /nfs/dbraw/zinc/58/88/78/1052588878.db2.gz LKLYIYAWVGZJQH-AVRDEDQJSA-N 1 0 376.504 3.577 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC001312165093 1052609434 /nfs/dbraw/zinc/60/94/34/1052609434.db2.gz OOYBKMZAQKGKPZ-OAQYLSRUSA-N 1 0 396.922 3.777 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001312252947 1052661541 /nfs/dbraw/zinc/66/15/41/1052661541.db2.gz LBTDSOWFBZELLC-HBGVWJBISA-N 1 0 381.907 3.977 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CC2)c1 ZINC001312581588 1052799250 /nfs/dbraw/zinc/79/92/50/1052799250.db2.gz PALDPNQVNSAELU-UHFFFAOYSA-N 1 0 380.536 3.893 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001312726363 1052849486 /nfs/dbraw/zinc/84/94/86/1052849486.db2.gz SGCXWFUMUIDMNV-ZEQRLZLVSA-N 1 0 387.527 3.864 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001313003244 1052930930 /nfs/dbraw/zinc/93/09/30/1052930930.db2.gz IPOJJRLXVZEEQU-HSZRJFAPSA-N 1 0 390.531 3.653 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001342368432 1053132331 /nfs/dbraw/zinc/13/23/31/1053132331.db2.gz OHIZDPXLGWBDCR-SFHVURJKSA-N 1 0 375.586 3.529 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001342372204 1053134386 /nfs/dbraw/zinc/13/43/86/1053134386.db2.gz IIXNQBRDCDSYRW-INIZCTEOSA-N 1 0 395.642 3.891 20 30 GHEDRO CC[NH+](CC)[C@@H](Cn1c(C2CC2)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 ZINC001313673474 1053163633 /nfs/dbraw/zinc/16/36/33/1053163633.db2.gz RUNBOYDRGCRFAA-YJBOKZPZSA-N 1 0 386.569 3.896 20 30 GHEDRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 ZINC001313703883 1053182777 /nfs/dbraw/zinc/18/27/77/1053182777.db2.gz HWRSLOXGTRENCH-QFIPXVFZSA-N 1 0 398.530 3.734 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001342471845 1053187756 /nfs/dbraw/zinc/18/77/56/1053187756.db2.gz LJEWHZCLKFDRLQ-UHFFFAOYSA-N 1 0 396.539 3.760 20 30 GHEDRO C=CCn1c([C@@H](O)CC2CCCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001342472960 1053188684 /nfs/dbraw/zinc/18/86/84/1053188684.db2.gz SHXCBZDNUKFOFZ-PMACEKPBSA-N 1 0 389.588 3.636 20 30 GHEDRO CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001313766443 1053217135 /nfs/dbraw/zinc/21/71/35/1053217135.db2.gz IQCLTOBGRSPYRA-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313911365 1053286229 /nfs/dbraw/zinc/28/62/29/1053286229.db2.gz OHRAIFFQRXTJLY-DENIHFKCSA-N 1 0 384.572 3.940 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001342706649 1053311107 /nfs/dbraw/zinc/31/11/07/1053311107.db2.gz HISUTHNFRDZDQE-NCYKPQTJSA-N 1 0 377.536 3.513 20 30 GHEDRO CN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCCCC[NH+]1CCCC1 ZINC001314787710 1053610921 /nfs/dbraw/zinc/61/09/21/1053610921.db2.gz NQOQJOHIVALSJT-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1[C@@]12CCC=C1OCC2 ZINC001343403124 1053751921 /nfs/dbraw/zinc/75/19/21/1053751921.db2.gz AMEPTEXJPVAQBJ-AUSIDOKSSA-N 1 0 397.567 3.502 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1[C@]12CCC=C1OCC2 ZINC001343403136 1053752221 /nfs/dbraw/zinc/75/22/21/1053752221.db2.gz AMEPTEXJPVAQBJ-XXBNENTESA-N 1 0 397.567 3.502 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343456309 1053782635 /nfs/dbraw/zinc/78/26/35/1053782635.db2.gz DLPDCKGDHXVGFL-CADBVGFASA-N 1 0 389.588 3.897 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001343494906 1053811168 /nfs/dbraw/zinc/81/11/68/1053811168.db2.gz KESIEJABBONFCL-DLBZAZTESA-N 1 0 381.515 3.925 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C[C@H]2C1 ZINC001343514959 1053834771 /nfs/dbraw/zinc/83/47/71/1053834771.db2.gz NBZCWCDKZRZZHC-VAMGGRTRSA-N 1 0 390.487 3.548 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001343677176 1053967091 /nfs/dbraw/zinc/96/70/91/1053967091.db2.gz TUHMFBKYRYQBBC-VQTJNVASSA-N 1 0 394.567 3.713 20 30 GHEDRO C=C(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001343762082 1054005847 /nfs/dbraw/zinc/00/58/47/1054005847.db2.gz ZYNCQVOXHAKWGL-UHFFFAOYSA-N 1 0 382.512 3.542 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001344017013 1054189816 /nfs/dbraw/zinc/18/98/16/1054189816.db2.gz NLSBQHNLHCDMRT-HLAWJBBLSA-N 1 0 399.583 3.531 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001318316897 1054563769 /nfs/dbraw/zinc/56/37/69/1054563769.db2.gz QPZTZVNLXOWMIK-KRWDZBQOSA-N 1 0 379.435 3.800 20 30 GHEDRO C=CC(C)(C)Cc1nnc(N2CCC(CC)([NH+](C)C)CC2)n1C[C@H]1CCCO1 ZINC001344569715 1054571083 /nfs/dbraw/zinc/57/10/83/1054571083.db2.gz HFSFMSGNZZLOEP-GOSISDBHSA-N 1 0 389.588 3.522 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC001318885681 1054934652 /nfs/dbraw/zinc/93/46/52/1054934652.db2.gz AFUBHTDRLOEYDM-WIYYLYMNSA-N 1 0 399.560 3.796 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318894318 1054939912 /nfs/dbraw/zinc/93/99/12/1054939912.db2.gz WJOWVSMHDVHBCQ-RXVVDRJESA-N 1 0 397.544 3.599 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1OC ZINC001319727299 1055427066 /nfs/dbraw/zinc/42/70/66/1055427066.db2.gz QTEQUPKAJCSZEA-HXUWFJFHSA-N 1 0 380.488 3.654 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001320469104 1055819899 /nfs/dbraw/zinc/81/98/99/1055819899.db2.gz CWDYJHLMBYDRLB-GOSISDBHSA-N 1 0 382.891 3.746 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)N2CCOCC2)cc1 ZINC001320561945 1055883474 /nfs/dbraw/zinc/88/34/74/1055883474.db2.gz LMEDXVWYPBOPHL-WLXPTCNVSA-N 1 0 375.516 3.582 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001320569448 1055885661 /nfs/dbraw/zinc/88/56/61/1055885661.db2.gz NEWCEGGMWVAOHD-UHFFFAOYSA-N 1 0 375.394 3.779 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300450458 1056132399 /nfs/dbraw/zinc/13/23/99/1056132399.db2.gz UPRWIDRKWDXQPD-PMACEKPBSA-N 1 0 379.552 3.773 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001300510979 1056328195 /nfs/dbraw/zinc/32/81/95/1056328195.db2.gz BZBPIWLOYIALEF-FQEVSTJZSA-N 1 0 395.938 3.546 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001300555260 1056459861 /nfs/dbraw/zinc/45/98/61/1056459861.db2.gz WBRBDFJIMNMHNY-HXUWFJFHSA-N 1 0 391.563 3.755 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300616746 1056673862 /nfs/dbraw/zinc/67/38/62/1056673862.db2.gz MKUMTGOHSIMOOP-LJQANCHMSA-N 1 0 397.542 3.912 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001300629529 1056720946 /nfs/dbraw/zinc/72/09/46/1056720946.db2.gz XWFOFTQNIZAMDZ-UHFFFAOYSA-N 1 0 397.542 3.590 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC001322525303 1056743343 /nfs/dbraw/zinc/74/33/43/1056743343.db2.gz REJQDVFFOWTBNN-QGZVFWFLSA-N 1 0 379.464 3.599 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)C[C@@H](C)O)cc1OC ZINC001200714560 1056797639 /nfs/dbraw/zinc/79/76/39/1056797639.db2.gz LEDAYUNANKQUDS-CYBMUJFWSA-N 1 0 386.330 3.909 20 30 GHEDRO Cc1cc(C#N)cc(NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)n1 ZINC001472746214 1056797812 /nfs/dbraw/zinc/79/78/12/1056797812.db2.gz HPWWJIFQSIWYTA-ROUUACIJSA-N 1 0 378.520 3.883 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC001322733794 1056824587 /nfs/dbraw/zinc/82/45/87/1056824587.db2.gz ZXMQXWOHUQPNCH-QFIPXVFZSA-N 1 0 375.472 3.775 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001322888929 1056878995 /nfs/dbraw/zinc/87/89/95/1056878995.db2.gz IJBRZKMFFYSEPH-LEWJYISDSA-N 1 0 383.467 3.635 20 30 GHEDRO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2c(Br)cccc2C#N)C1 ZINC001472843052 1056942188 /nfs/dbraw/zinc/94/21/88/1056942188.db2.gz NBPFPRQBOWZADN-SFHVURJKSA-N 1 0 399.336 3.549 20 30 GHEDRO C=CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001323730099 1057005842 /nfs/dbraw/zinc/00/58/42/1057005842.db2.gz ROKBVIUSEPPATH-LJQANCHMSA-N 1 0 378.472 3.523 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492496273 1057043506 /nfs/dbraw/zinc/04/35/06/1057043506.db2.gz QSQFFGIQTYDDDF-RTBURBONSA-N 1 0 395.555 3.507 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001355862470 1057297204 /nfs/dbraw/zinc/29/72/04/1057297204.db2.gz BCYVYNWUYBNBDK-UYAOXDASSA-N 1 0 387.572 3.652 20 30 GHEDRO N#Cc1ccc(OCc2ccc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)o2)cc1 ZINC001325468602 1057331499 /nfs/dbraw/zinc/33/14/99/1057331499.db2.gz HFPHIUZDOOMOMA-GOSISDBHSA-N 1 0 376.416 3.589 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001325994918 1057392799 /nfs/dbraw/zinc/39/27/99/1057392799.db2.gz DEURVBSFALTDEH-SLFFLAALSA-N 1 0 385.870 3.898 20 30 GHEDRO CCn1c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001356320012 1057471488 /nfs/dbraw/zinc/47/14/88/1057471488.db2.gz ICUWPBXYCQRYQK-UYAOXDASSA-N 1 0 392.551 3.664 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001356330486 1057478399 /nfs/dbraw/zinc/47/83/99/1057478399.db2.gz PAHBSISKJBHURO-UHFFFAOYSA-N 1 0 395.503 3.857 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001357158735 1057620374 /nfs/dbraw/zinc/62/03/74/1057620374.db2.gz DPNOOQWHPLDYDM-BXWFABGCSA-N 1 0 397.489 3.832 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N3CCC[C@@H]3c3cccs3)n2CC=C)CC1 ZINC001338980208 1058912135 /nfs/dbraw/zinc/91/21/35/1058912135.db2.gz CSUZUOMMCPUJLN-GOSISDBHSA-N 1 0 381.549 3.680 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC2(CC2)CC1 ZINC001339248738 1059040547 /nfs/dbraw/zinc/04/05/47/1059040547.db2.gz DUOWGCWNZKZDPU-LJQANCHMSA-N 1 0 385.556 3.551 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C)C(C)C ZINC001443422034 1059126794 /nfs/dbraw/zinc/12/67/94/1059126794.db2.gz DXVLEDDTRSEJAR-IRLDBZIGSA-N 1 0 387.568 3.885 20 30 GHEDRO C=CCn1c(Cc2ncccc2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001339656089 1059372478 /nfs/dbraw/zinc/37/24/78/1059372478.db2.gz FBNUPWZYXCWFNY-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO COc1ccc(C(C)N=Nc2nncc(N)c2Cl)cc1C[NH+]1CCCCC1 ZINC001340496024 1059953257 /nfs/dbraw/zinc/95/32/57/1059953257.db2.gz UPHBAJMIURCAMM-UHFFFAOYSA-N 1 0 388.903 3.543 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3C[C@H]3C#N)n2Cc2ccccc2)CC1 ZINC001340552967 1059972596 /nfs/dbraw/zinc/97/25/96/1059972596.db2.gz AYFNSKVRBDQTDR-PMACEKPBSA-N 1 0 392.551 3.512 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(C2CCC2)CC1 ZINC001340636355 1060009603 /nfs/dbraw/zinc/00/96/03/1060009603.db2.gz PRHUIRBHRXJBLF-OAQYLSRUSA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC)Cc1ccccc1 ZINC001340637934 1060011745 /nfs/dbraw/zinc/01/17/45/1060011745.db2.gz ZDJPBQTVXPKISB-OAQYLSRUSA-N 1 0 395.551 3.807 20 30 GHEDRO CCn1c([C@H]2CCCc3cc(C#N)ccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340762921 1060103368 /nfs/dbraw/zinc/10/33/68/1060103368.db2.gz NEFPFRGSMBTKGF-NRFANRHFSA-N 1 0 392.551 3.605 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C#N)cc2C2CC2)[C@H](c2cnn(C)c2)C1 ZINC001340881552 1060220746 /nfs/dbraw/zinc/22/07/46/1060220746.db2.gz LBAXBOHQYPJWNE-FPOVZHCZSA-N 1 0 391.519 3.622 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C#N)cc2C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC001340881553 1060221592 /nfs/dbraw/zinc/22/15/92/1060221592.db2.gz LBAXBOHQYPJWNE-PZJWPPBQSA-N 1 0 391.519 3.622 20 30 GHEDRO CCn1c(Cc2ccc(C#N)cc2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001341139839 1060443844 /nfs/dbraw/zinc/44/38/44/1060443844.db2.gz PLTADDBJMRHDLF-UHFFFAOYSA-N 1 0 392.551 3.524 20 30 GHEDRO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001341669787 1060800935 /nfs/dbraw/zinc/80/09/35/1060800935.db2.gz RAZPMOYTPQNXAN-HXUWFJFHSA-N 1 0 397.523 3.922 20 30 GHEDRO C=C(C)Cn1c([C@H](C)C(C)(C)O)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001342120883 1061068809 /nfs/dbraw/zinc/06/88/09/1061068809.db2.gz GHZRUYGDLDQAHV-RBUKOAKNSA-N 1 0 397.567 3.612 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001342210390 1061137522 /nfs/dbraw/zinc/13/75/22/1061137522.db2.gz WTMSDBCGBTZCCX-UHFFFAOYSA-N 1 0 392.551 3.659 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2OCCCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342249293 1061174469 /nfs/dbraw/zinc/17/44/69/1061174469.db2.gz ZTLINUWWXDQXRY-PMACEKPBSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001342269703 1061191412 /nfs/dbraw/zinc/19/14/12/1061191412.db2.gz FLTBYBZVWGOAJW-OAHLLOKOSA-N 1 0 381.615 3.643 20 30 GHEDRO C=C(C)Cn1c(CCn2ccnc2C)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC001345983946 1061260548 /nfs/dbraw/zinc/26/05/48/1061260548.db2.gz KDPBKCQJDVFKRC-JOCHJYFZSA-N 1 0 394.498 3.677 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC2([NH+](C)C)CCCC2)o1 ZINC001361200159 1061715081 /nfs/dbraw/zinc/71/50/81/1061715081.db2.gz OOTCSIIVQKIIMO-UHFFFAOYSA-N 1 0 396.539 3.851 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1C(C)(C)COC ZINC001346658781 1061772798 /nfs/dbraw/zinc/77/27/98/1061772798.db2.gz ZCIUSUNRPDKMQZ-UHFFFAOYSA-N 1 0 389.588 3.623 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001346717289 1061819913 /nfs/dbraw/zinc/81/99/13/1061819913.db2.gz FSERYUDJLIIBBU-UHFFFAOYSA-N 1 0 394.567 3.988 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001347332939 1062302260 /nfs/dbraw/zinc/30/22/60/1062302260.db2.gz FUXJOHTUERATTI-DEOSSOPVSA-N 1 0 394.515 3.986 20 30 GHEDRO CC(C)Cn1c([C@H](C)CCC#N)nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001347379914 1062336997 /nfs/dbraw/zinc/33/69/97/1062336997.db2.gz JEJUCIWZIMYCHR-QIJUGHKUSA-N 1 0 384.572 3.654 20 30 GHEDRO C#CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001435655916 1062818119 /nfs/dbraw/zinc/81/81/19/1062818119.db2.gz FDQFZDSEAZYJMV-QPTUXGOLSA-N 1 0 388.511 3.729 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001348110794 1062923768 /nfs/dbraw/zinc/92/37/68/1062923768.db2.gz OIXJQEZPQMSQLS-GFCCVEGCSA-N 1 0 375.104 3.730 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)c1ccccc1 ZINC001457208077 1063027410 /nfs/dbraw/zinc/02/74/10/1063027410.db2.gz RVRINLAKLKMCFT-OKULMJQMSA-N 1 0 382.479 3.997 20 30 GHEDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2F)CC1 ZINC001348554377 1063209523 /nfs/dbraw/zinc/20/95/23/1063209523.db2.gz BRXLLWGRIFHSGA-JOCHJYFZSA-N 1 0 378.495 3.616 20 30 GHEDRO C#CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC001436160980 1063247956 /nfs/dbraw/zinc/24/79/56/1063247956.db2.gz HUKOQVCZZNZFML-UHFFFAOYSA-N 1 0 376.500 3.861 20 30 GHEDRO CCC(CC)[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCOCC1 ZINC001458085233 1063554773 /nfs/dbraw/zinc/55/47/73/1063554773.db2.gz WAJKTPIIRGJKKM-FQEVSTJZSA-N 1 0 397.479 3.564 20 30 GHEDRO C[C@@H]1CN(c2ncc(C#N)cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC001458382222 1063775126 /nfs/dbraw/zinc/77/51/26/1063775126.db2.gz AMSSNUJRLBRCDZ-HNNXBMFYSA-N 1 0 385.309 3.674 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001350073889 1063980633 /nfs/dbraw/zinc/98/06/33/1063980633.db2.gz XJJMQEOQAIBYKM-GOSISDBHSA-N 1 0 383.517 3.831 20 30 GHEDRO C[C@](O)(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC001459479596 1064109519 /nfs/dbraw/zinc/10/95/19/1064109519.db2.gz KULOPSRLWJSERW-LURJTMIESA-N 1 0 383.201 3.752 20 30 GHEDRO CS[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1N(C)C ZINC001459891410 1064259547 /nfs/dbraw/zinc/25/95/47/1064259547.db2.gz GLOACOHJYYAPKW-YADHBBJMSA-N 1 0 379.573 3.864 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NCc3nc(C)cs3)c2)CC1 ZINC001351164868 1064288047 /nfs/dbraw/zinc/28/80/47/1064288047.db2.gz LWMPHXRNPSELHF-UHFFFAOYSA-N 1 0 384.549 3.834 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 ZINC001460063091 1064389352 /nfs/dbraw/zinc/38/93/52/1064389352.db2.gz RFHDXKYYVZNBNH-CSODHUTKSA-N 1 0 399.535 3.620 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001351452177 1064454209 /nfs/dbraw/zinc/45/42/09/1064454209.db2.gz AKAQLOXIEAQZAO-WMZOPIPTSA-N 1 0 384.528 3.518 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC001463553497 1064454856 /nfs/dbraw/zinc/45/48/56/1064454856.db2.gz RJXYSXZNPXCJSR-UHFFFAOYSA-N 1 0 383.945 3.535 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001463987952 1064755391 /nfs/dbraw/zinc/75/53/91/1064755391.db2.gz TWUOMUUNWCSUOO-XYELWLDHSA-N 1 0 386.536 3.900 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1Nc1cnn(C2CCC2)c1 ZINC001352150046 1064885585 /nfs/dbraw/zinc/88/55/85/1064885585.db2.gz GQMLNYFGLYCRGQ-QNBRMCRTSA-N 1 0 381.528 3.545 20 30 GHEDRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)ccc1C#N ZINC001464395265 1064986871 /nfs/dbraw/zinc/98/68/71/1064986871.db2.gz BVCKJZBPRAHDJK-NRFANRHFSA-N 1 0 377.488 3.770 20 30 GHEDRO CC[NH+](CC)CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C)c1ccccc1 ZINC001464817561 1065227570 /nfs/dbraw/zinc/22/75/70/1065227570.db2.gz HZSMMBMQAWXQTM-FQEVSTJZSA-N 1 0 385.533 3.618 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](O)c1ccccc1C(F)(F)F)C(C)C ZINC001464871317 1065253181 /nfs/dbraw/zinc/25/31/81/1065253181.db2.gz OFGVKTMRMZGDPL-ROUUACIJSA-N 1 0 384.442 3.554 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(Br)cc1O)C(C)C ZINC001464871406 1065253346 /nfs/dbraw/zinc/25/33/46/1065253346.db2.gz OXRXKVYJCMMAGK-INIZCTEOSA-N 1 0 381.314 3.583 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 ZINC001464946877 1065285793 /nfs/dbraw/zinc/28/57/93/1065285793.db2.gz HCYGZBWYNUVCRH-LJQANCHMSA-N 1 0 389.540 3.610 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)CC1 ZINC001465669782 1065782983 /nfs/dbraw/zinc/78/29/83/1065782983.db2.gz OLSQAGRXWVXMRG-UHFFFAOYSA-N 1 0 378.476 3.710 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300291275 1065937389 /nfs/dbraw/zinc/93/73/89/1065937389.db2.gz CMECNKBKVVZNEI-RBUKOAKNSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)C)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300311341 1065969805 /nfs/dbraw/zinc/96/98/05/1065969805.db2.gz SGMNKDAPMVWYEY-SFHVURJKSA-N 1 0 399.608 3.908 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC1([NH+](C)C)CCCCC1 ZINC001300315411 1065976477 /nfs/dbraw/zinc/97/64/77/1065976477.db2.gz XFUBBGCBKJXWLN-KRWDZBQOSA-N 1 0 385.581 3.653 20 30 GHEDRO N#CC1(COC(=O)[C@H]2COc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000847745536 1066010439 /nfs/dbraw/zinc/01/04/39/1066010439.db2.gz JZYXVYWWLKMRJK-OAQYLSRUSA-N 1 0 390.483 3.587 20 30 GHEDRO Cc1c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)sc2nccn12 ZINC000847747733 1066033303 /nfs/dbraw/zinc/03/33/03/1066033303.db2.gz PAMSGVODMUZRIS-UHFFFAOYSA-N 1 0 394.500 3.667 20 30 GHEDRO COc1cc(C)ccc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747700 1066033725 /nfs/dbraw/zinc/03/37/25/1066033725.db2.gz NZVUGPSBGIWVHH-UHFFFAOYSA-N 1 0 378.472 3.966 20 30 GHEDRO C[C@@H](CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000847748833 1066037341 /nfs/dbraw/zinc/03/73/41/1066037341.db2.gz JHLGKLFXUFZDDP-IBGZPJMESA-N 1 0 377.488 3.924 20 30 GHEDRO C#CCCCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001300353810 1066082451 /nfs/dbraw/zinc/08/24/51/1066082451.db2.gz PWQKFMXRJUJDJE-RBUKOAKNSA-N 1 0 395.551 3.676 20 30 GHEDRO Cc1cnc2ccccc2c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001466737479 1066285531 /nfs/dbraw/zinc/28/55/31/1066285531.db2.gz KLMXWRVSQLYFHX-UHFFFAOYSA-N 1 0 399.498 3.577 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c1 ZINC001466762846 1066301932 /nfs/dbraw/zinc/30/19/32/1066301932.db2.gz YYQFEWADIKEPPZ-UHFFFAOYSA-N 1 0 379.508 3.706 20 30 GHEDRO C#CCN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300432690 1066316595 /nfs/dbraw/zinc/31/65/95/1066316595.db2.gz NQJLHYLODAKJHY-WMZOPIPTSA-N 1 0 385.581 3.790 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001467196133 1067142021 /nfs/dbraw/zinc/14/20/21/1067142021.db2.gz WSUGFNNFISYURB-KRWDZBQOSA-N 1 0 382.430 3.583 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC001357532192 1067149494 /nfs/dbraw/zinc/14/94/94/1067149494.db2.gz WEAWRUFRKMJECK-UHFFFAOYSA-N 1 0 391.515 3.622 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001467240698 1067172091 /nfs/dbraw/zinc/17/20/91/1067172091.db2.gz MSPRBGQTWRBUNA-SFHVURJKSA-N 1 0 380.467 3.692 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)cc2)C1 ZINC001467311643 1067217688 /nfs/dbraw/zinc/21/76/88/1067217688.db2.gz KEXSTEJMKASIIO-RHSMWYFYSA-N 1 0 382.430 3.562 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001358876393 1067590578 /nfs/dbraw/zinc/59/05/78/1067590578.db2.gz IQJRYLQRKHFQOY-LPHOPBHVSA-N 1 0 385.943 3.931 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358883330 1067594601 /nfs/dbraw/zinc/59/46/01/1067594601.db2.gz SOAGNFFFCHXAEI-HOJAQTOUSA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358883333 1067594727 /nfs/dbraw/zinc/59/47/27/1067594727.db2.gz SOAGNFFFCHXAEI-YZGWKJHDSA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001358887626 1067597226 /nfs/dbraw/zinc/59/72/26/1067597226.db2.gz ZWPNQSKNUXJZGK-GOSISDBHSA-N 1 0 377.536 3.648 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001358893955 1067600861 /nfs/dbraw/zinc/60/08/61/1067600861.db2.gz FYLKJBHXXHEYRN-FHWLQOOXSA-N 1 0 399.608 3.756 20 30 GHEDRO C#CCCCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001358909237 1067608021 /nfs/dbraw/zinc/60/80/21/1067608021.db2.gz YNHIXMAPOINQJO-ZWKOTPCHSA-N 1 0 383.515 3.807 20 30 GHEDRO C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001358923447 1067614579 /nfs/dbraw/zinc/61/45/79/1067614579.db2.gz OCRQNNYLJNPXKA-DLBZAZTESA-N 1 0 385.943 3.931 20 30 GHEDRO C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001358924061 1067615367 /nfs/dbraw/zinc/61/53/67/1067615367.db2.gz KOMOLDBWSKBZIG-UHFFFAOYSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(C)c1nnc(C2CCCC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001358947961 1067627007 /nfs/dbraw/zinc/62/70/07/1067627007.db2.gz PNBMLRCENHSQKK-OAQYLSRUSA-N 1 0 379.552 3.870 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001358985412 1067635736 /nfs/dbraw/zinc/63/57/36/1067635736.db2.gz YAVKLZLFLYNCIT-RTWAWAEBSA-N 1 0 383.584 3.909 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001358990367 1067637993 /nfs/dbraw/zinc/63/79/93/1067637993.db2.gz LONYNHZNVXFOPC-OAQYLSRUSA-N 1 0 389.547 3.673 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCC[N@H+]1CCC ZINC001358990564 1067638321 /nfs/dbraw/zinc/63/83/21/1067638321.db2.gz RZEZHWAIOIXRPL-NRFANRHFSA-N 1 0 389.547 3.591 20 30 GHEDRO C#CCN(CC)c1nnc(C2CC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359007906 1067649681 /nfs/dbraw/zinc/64/96/81/1067649681.db2.gz ARBSTQIZTQWEOH-NRFANRHFSA-N 1 0 391.563 3.917 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001359015203 1067655182 /nfs/dbraw/zinc/65/51/82/1067655182.db2.gz LNSNHPVDYGHMFA-IBGZPJMESA-N 1 0 383.515 3.522 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359017338 1067656206 /nfs/dbraw/zinc/65/62/06/1067656206.db2.gz ALUSZCMPSRGQMV-OAQYLSRUSA-N 1 0 397.542 3.884 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359114832 1067693399 /nfs/dbraw/zinc/69/33/99/1067693399.db2.gz BAJVSQZDNIPMRG-OAQYLSRUSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359114831 1067693552 /nfs/dbraw/zinc/69/35/52/1067693552.db2.gz BAJVSQZDNIPMRG-NRFANRHFSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359124330 1067698311 /nfs/dbraw/zinc/69/83/11/1067698311.db2.gz XADFDZWQANVAAB-VQTJNVASSA-N 1 0 397.567 3.969 20 30 GHEDRO C=C(Cl)Cn1c(COCC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359156637 1067715124 /nfs/dbraw/zinc/71/51/24/1067715124.db2.gz LXDLFBUZDBFESC-QZTJIDSGSA-N 1 0 395.979 3.658 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001359162342 1067717537 /nfs/dbraw/zinc/71/75/37/1067717537.db2.gz NDUZSCXMYHTHQO-HNNXBMFYSA-N 1 0 386.931 3.633 20 30 GHEDRO C=C1CCN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359163400 1067719177 /nfs/dbraw/zinc/71/91/77/1067719177.db2.gz CROLVUAEVGPOKB-LJQANCHMSA-N 1 0 395.555 3.546 20 30 GHEDRO CC(C)(NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000849276501 1067784019 /nfs/dbraw/zinc/78/40/19/1067784019.db2.gz FNKTXNVJAGJUMT-UHFFFAOYSA-N 1 0 392.572 3.922 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359233844 1067837131 /nfs/dbraw/zinc/83/71/31/1067837131.db2.gz SVBKCCNPWKKJOM-IAGOWNOFSA-N 1 0 398.511 3.596 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359235209 1067839924 /nfs/dbraw/zinc/83/99/24/1067839924.db2.gz QYXQPVOXVPISQR-HOTGVXAUSA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+](C)C1CCCC1 ZINC001359242115 1067852911 /nfs/dbraw/zinc/85/29/11/1067852911.db2.gz QLWXDANGQUHWDB-UHFFFAOYSA-N 1 0 389.494 3.644 20 30 GHEDRO C=CCN(c1nnc([C@H](C)CC)n1CC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC001359246004 1067871868 /nfs/dbraw/zinc/87/18/68/1067871868.db2.gz MGLMTGOHOVYKRH-QGZVFWFLSA-N 1 0 389.588 3.836 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[N@@H+](CCC)C1)C1CC1 ZINC001359248830 1067893962 /nfs/dbraw/zinc/89/39/62/1067893962.db2.gz DINBJLDRGARGSS-LJQANCHMSA-N 1 0 390.535 3.703 20 30 GHEDRO C=CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC001359253483 1067908751 /nfs/dbraw/zinc/90/87/51/1067908751.db2.gz HUVAUQBVWKIFOC-FQEVSTJZSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001359254411 1067909804 /nfs/dbraw/zinc/90/98/04/1067909804.db2.gz QHIMJDRCQWBVHV-GOSISDBHSA-N 1 0 395.551 3.841 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001359258257 1067920002 /nfs/dbraw/zinc/92/00/02/1067920002.db2.gz KQLADTQQQMZTIU-HXUWFJFHSA-N 1 0 390.535 3.808 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359270900 1067937956 /nfs/dbraw/zinc/93/79/56/1067937956.db2.gz FSVXWWHHRVRWQW-RTBURBONSA-N 1 0 387.572 3.819 20 30 GHEDRO C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359278452 1067948854 /nfs/dbraw/zinc/94/88/54/1067948854.db2.gz VGMWKERWXLCHHH-MRXNPFEDSA-N 1 0 391.585 3.579 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001359288852 1067982696 /nfs/dbraw/zinc/98/26/96/1067982696.db2.gz BXHRFDDEGCXKER-UHFFFAOYSA-N 1 0 393.579 3.950 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359288858 1067982698 /nfs/dbraw/zinc/98/26/98/1067982698.db2.gz DSVGZLVNJRNIAM-UHFFFAOYSA-N 1 0 393.579 3.952 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001469156206 1067999289 /nfs/dbraw/zinc/99/92/89/1067999289.db2.gz FUYZZRXBMPLODZ-HXUWFJFHSA-N 1 0 387.886 3.927 20 30 GHEDRO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCCC1 ZINC001359661140 1068120877 /nfs/dbraw/zinc/12/08/77/1068120877.db2.gz DMXAOLTWPCBPTK-SIKLNZKXSA-N 1 0 384.572 3.796 20 30 GHEDRO C[N@@H+]1C[C@@H](CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2)C1 ZINC001469368762 1068127366 /nfs/dbraw/zinc/12/73/66/1068127366.db2.gz PDZXMWHAKOTYFG-QUCCMNQESA-N 1 0 386.417 3.519 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359801693 1068195320 /nfs/dbraw/zinc/19/53/20/1068195320.db2.gz ZLVBWWPSWLBBHT-OALUTQOASA-N 1 0 386.588 3.727 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc2cc(Cl)ccc21 ZINC001359854364 1068223196 /nfs/dbraw/zinc/22/31/96/1068223196.db2.gz XLWDSJDUZGGEQQ-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001469757125 1068364585 /nfs/dbraw/zinc/36/45/85/1068364585.db2.gz UOWPGMXMDCGAHU-YJGRUCBDSA-N 1 0 388.515 3.879 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC001360460446 1068514434 /nfs/dbraw/zinc/51/44/34/1068514434.db2.gz ZHGYLXDCYIBYIM-MAUKXSAKSA-N 1 0 382.895 3.732 20 30 GHEDRO CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001360884849 1068673350 /nfs/dbraw/zinc/67/33/50/1068673350.db2.gz JELHCXRVPMBDKU-OAQYLSRUSA-N 1 0 390.535 3.703 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](O)c1ccccc1 ZINC001460085383 1068771708 /nfs/dbraw/zinc/77/17/08/1068771708.db2.gz NOCQWQRJXRDTCG-VHKYSDTDSA-N 1 0 385.895 3.886 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC001460505487 1068981587 /nfs/dbraw/zinc/98/15/87/1068981587.db2.gz RYHANMLMRWROKG-IBGZPJMESA-N 1 0 389.421 3.755 20 30 GHEDRO N#Cc1cc(F)ccc1N1CC[NH+](CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC001460634247 1069044901 /nfs/dbraw/zinc/04/49/01/1069044901.db2.gz BFXNZSJIPDOCCH-UHFFFAOYSA-N 1 0 393.506 3.908 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]1CCCOC1 ZINC001460688259 1069088329 /nfs/dbraw/zinc/08/83/29/1069088329.db2.gz JFNGJZAWVPYJRA-NQIIRXRSSA-N 1 0 394.519 3.699 20 30 GHEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H](c1ccccc1)c1ccccc1Br ZINC001460736119 1069143636 /nfs/dbraw/zinc/14/36/36/1069143636.db2.gz ZFABWCWGVHYBKL-FQEVSTJZSA-N 1 0 385.305 3.610 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460780006 1069173860 /nfs/dbraw/zinc/17/38/60/1069173860.db2.gz ZTVVHHWEYFAVPY-UHFFFAOYSA-N 1 0 385.552 3.896 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CCCCC1 ZINC001460833550 1069209572 /nfs/dbraw/zinc/20/95/72/1069209572.db2.gz YPWSCOKIJGLKMB-UHFFFAOYSA-N 1 0 378.398 3.836 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cc1 ZINC001460848319 1069218521 /nfs/dbraw/zinc/21/85/21/1069218521.db2.gz LITXXPJGGWRAML-UHFFFAOYSA-N 1 0 378.398 3.949 20 30 GHEDRO O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001472311542 1073415048 /nfs/dbraw/zinc/41/50/48/1073415048.db2.gz GXIRXGMAGLVWRL-KMDXXIMOSA-N 1 0 394.559 3.614 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]([NH2+]C(C)C)c1ccc(OC)cc1 ZINC001472500028 1073515486 /nfs/dbraw/zinc/51/54/86/1073515486.db2.gz MDMURMBKAXOGFS-QFIPXVFZSA-N 1 0 382.504 3.958 20 30 GHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNc3ncc(C#N)cc3F)cc2)C[C@@H]1C ZINC001472745864 1073647515 /nfs/dbraw/zinc/64/75/15/1073647515.db2.gz BUTTUAKCMGMIHF-IRXDYDNUSA-N 1 0 382.483 3.714 20 30 GHEDRO COc1cccc(N2CC[NH+](CCS[C@@H](C#N)Cc3ccc(C)cc3)CC2)c1 ZINC001473085037 1073776164 /nfs/dbraw/zinc/77/61/64/1073776164.db2.gz DQCDDENBAIIOAT-HSZRJFAPSA-N 1 0 395.572 3.994 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC001473367565 1073936251 /nfs/dbraw/zinc/93/62/51/1073936251.db2.gz XLHLSIFWNPKBSO-INIZCTEOSA-N 1 0 383.455 3.617 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](CN2CCCCC2)c2ccccc2)c1 ZINC001473373182 1073938903 /nfs/dbraw/zinc/93/89/03/1073938903.db2.gz PVZNXJCNPLTXBL-JOCHJYFZSA-N 1 0 376.504 3.704 20 30 GHEDRO N#Cc1ccnc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1 ZINC001473505058 1073992599 /nfs/dbraw/zinc/99/25/99/1073992599.db2.gz NJDJCRVEENASFX-OFNKIYASSA-N 1 0 389.430 3.633 20 30 GHEDRO Cc1cc(F)ccc1C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001473511497 1073994669 /nfs/dbraw/zinc/99/46/69/1073994669.db2.gz XUPSUTCMIPRTIU-QFIPXVFZSA-N 1 0 377.463 3.991 20 30 GHEDRO Cc1cc(F)ccc1C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001473511490 1073994675 /nfs/dbraw/zinc/99/46/75/1073994675.db2.gz XUPSUTCMIPRTIU-JOCHJYFZSA-N 1 0 377.463 3.991 20 30 GHEDRO N#CC1(CCCC[NH2+][C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)CCC1 ZINC001473627083 1074056070 /nfs/dbraw/zinc/05/60/70/1074056070.db2.gz UNCURKHFMOTUSU-INIZCTEOSA-N 1 0 379.426 3.960 20 30 GHEDRO CO[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CCC1 ZINC001473847346 1074172804 /nfs/dbraw/zinc/17/28/04/1074172804.db2.gz AJFGPLBEXDYORP-AXFHLTTASA-N 1 0 381.307 3.904 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC001473981895 1074225555 /nfs/dbraw/zinc/22/55/55/1074225555.db2.gz SOOGSHGSVOPVRZ-UHFFFAOYSA-N 1 0 388.147 3.952 20 30 GHEDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001474025972 1074239912 /nfs/dbraw/zinc/23/99/12/1074239912.db2.gz JDMFVDBWEIRRPA-UHFFFAOYSA-N 1 0 380.488 3.762 20 30 GHEDRO Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3cccc(OCCCC#N)c3)C2)cc1 ZINC001474239389 1074305357 /nfs/dbraw/zinc/30/53/57/1074305357.db2.gz VOYWFOBFUAWZMB-XMMPIXPASA-N 1 0 393.531 3.668 20 30 GHEDRO C#CCOc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c3ccncc23)cc1 ZINC001474302028 1074331125 /nfs/dbraw/zinc/33/11/25/1074331125.db2.gz PKWXYFPKPGACFA-UHFFFAOYSA-N 1 0 386.499 3.611 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001474334465 1074348785 /nfs/dbraw/zinc/34/87/85/1074348785.db2.gz PXTLVIDWTNDTQT-LPHOPBHVSA-N 1 0 386.540 3.892 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cn(-c3cccc(Cl)c3Cl)nn1)C2 ZINC001474677580 1074510058 /nfs/dbraw/zinc/51/00/58/1074510058.db2.gz QHOCQDHZHCAPAH-OAHLLOKOSA-N 1 0 384.270 3.703 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC001474706671 1074526684 /nfs/dbraw/zinc/52/66/84/1074526684.db2.gz IEFMFHUZKRJRCB-UHFFFAOYSA-N 1 0 377.488 3.568 20 30 GHEDRO C[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493697753 1079288300 /nfs/dbraw/zinc/28/83/00/1079288300.db2.gz QLXXSORWNVQDNW-MSOLQXFVSA-N 1 0 392.551 3.784 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001495451226 1079409311 /nfs/dbraw/zinc/40/93/11/1079409311.db2.gz AFEIPMFKXQHREK-UEXGIBASSA-N 1 0 390.551 3.602 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001496114583 1079456763 /nfs/dbraw/zinc/45/67/63/1079456763.db2.gz CTEBIDSAVJKKOV-GCJKJVERSA-N 1 0 394.567 3.648 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001500935462 1079620872 /nfs/dbraw/zinc/62/08/72/1079620872.db2.gz CEQSNNIVHFYAAC-SFHVURJKSA-N 1 0 395.555 3.509 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736799016 600593477 /nfs/dbraw/zinc/59/34/77/600593477.db2.gz LREVORLMXJJLNN-JOCHJYFZSA-N 1 0 377.488 3.706 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1)C1CC1 ZINC000823909349 608267020 /nfs/dbraw/zinc/26/70/20/608267020.db2.gz ADYHQZZERSKSAB-UHFFFAOYSA-N 1 0 391.475 3.605 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623783 719046162 /nfs/dbraw/zinc/04/61/62/719046162.db2.gz MZUWOUHIAVTSAE-PKOBYXMFSA-N 1 0 388.849 3.735 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834608 720515183 /nfs/dbraw/zinc/51/51/83/720515183.db2.gz GRUYXYUJXHQLPK-RZUBCFFCSA-N 1 0 392.551 3.651 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[NH+](CCc4ccccn4)CC3)c12 ZINC001165056095 722020952 /nfs/dbraw/zinc/02/09/52/722020952.db2.gz LCPBZRZATXVFGH-UHFFFAOYSA-N 1 0 391.906 3.828 20 30 GHEDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000180672578 837447342 /nfs/dbraw/zinc/44/73/42/837447342.db2.gz MUOIHMRWCCWGRS-INIZCTEOSA-N 1 0 388.537 3.630 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)ccc1OC ZINC000180817818 837576864 /nfs/dbraw/zinc/57/68/64/837576864.db2.gz WEGJDRUTYBNPJF-CRAIPNDOSA-N 1 0 393.491 3.887 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2ccn(CCC#N)n2)C1 ZINC000173333579 837688664 /nfs/dbraw/zinc/68/86/64/837688664.db2.gz GVYZBPNNAOVLFA-ROUUACIJSA-N 1 0 394.523 3.596 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000583456075 834405762 /nfs/dbraw/zinc/40/57/62/834405762.db2.gz OKJIYBUAGPVOOI-ROUUACIJSA-N 1 0 390.531 3.511 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000329147910 834458661 /nfs/dbraw/zinc/45/86/61/834458661.db2.gz BBAHOXVBQJWSCB-IEBWSBKVSA-N 1 0 387.524 3.601 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)c(C)c1OC ZINC000558155577 834662010 /nfs/dbraw/zinc/66/20/10/834662010.db2.gz VLZSMCQDSFSDLY-ZDUSSCGKSA-N 1 0 387.867 3.827 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000246857381 834694095 /nfs/dbraw/zinc/69/40/95/834694095.db2.gz UDYVVWSCAQJVNH-JTHBVZDNSA-N 1 0 389.499 3.694 20 30 GHEDRO C[NH+](C)CCCOC1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458797398 834698817 /nfs/dbraw/zinc/69/88/17/834698817.db2.gz GGSWRFPKFXBVPE-OAQYLSRUSA-N 1 0 386.540 3.564 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458800960 834753662 /nfs/dbraw/zinc/75/36/62/834753662.db2.gz MGWVRELXGVLMQH-OAQYLSRUSA-N 1 0 379.508 3.590 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458619257 834780274 /nfs/dbraw/zinc/78/02/74/834780274.db2.gz NSJAJAVEHCGEFF-RHSMWYFYSA-N 1 0 380.895 3.711 20 30 GHEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000329352631 834891373 /nfs/dbraw/zinc/89/13/73/834891373.db2.gz DWDSUJFDHOITFO-HYBUGGRVSA-N 1 0 392.499 3.972 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCCOc1ccccc1 ZINC000583712750 834912971 /nfs/dbraw/zinc/91/29/71/834912971.db2.gz XAGYBDJZGPNXLD-SFHVURJKSA-N 1 0 383.467 3.862 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C[NH+]1CCCCC1 ZINC000511270607 834927945 /nfs/dbraw/zinc/92/79/45/834927945.db2.gz ZQGWGASBSXPUOL-INIZCTEOSA-N 1 0 397.548 3.849 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000171551741 834940649 /nfs/dbraw/zinc/94/06/49/834940649.db2.gz DEEQRBNMUHWPDZ-CQSZACIVSA-N 1 0 380.330 3.850 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](Oc2ccncc2)C1 ZINC000431593860 835064995 /nfs/dbraw/zinc/06/49/95/835064995.db2.gz ABAXFTOHTXNKSP-AEFFLSMTSA-N 1 0 396.516 3.568 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccc(F)cc1 ZINC000278780702 835077700 /nfs/dbraw/zinc/07/77/00/835077700.db2.gz ZFUNNWVSCBXSCO-INIZCTEOSA-N 1 0 379.439 3.555 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000120312507 835111992 /nfs/dbraw/zinc/11/19/92/835111992.db2.gz GYQUNKYUDAHSPZ-IAGOWNOFSA-N 1 0 387.524 3.866 20 30 GHEDRO O=C(Nc1ccnc(Sc2ccccn2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329510275 835164837 /nfs/dbraw/zinc/16/48/37/835164837.db2.gz MPTSCUBNMADNRH-QGZVFWFLSA-N 1 0 383.521 3.734 20 30 GHEDRO N#Cc1cc(N2CC3(CC[NH2+]CC3)c3ccccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001167069986 835180076 /nfs/dbraw/zinc/18/00/76/835180076.db2.gz ITLYJXQFTZQRJR-UHFFFAOYSA-N 1 0 385.427 3.788 20 30 GHEDRO CCOc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000278581530 835469964 /nfs/dbraw/zinc/46/99/64/835469964.db2.gz FUNXOQVGQUHORW-UHFFFAOYSA-N 1 0 391.475 3.556 20 30 GHEDRO Cn1ccnc1-c1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000329629351 835472057 /nfs/dbraw/zinc/47/20/57/835472057.db2.gz WAKIXGSFNMYUMS-UHFFFAOYSA-N 1 0 399.564 3.775 20 30 GHEDRO N#Cc1cccc(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612107425 835499035 /nfs/dbraw/zinc/49/90/35/835499035.db2.gz DZNNRPYTKMOXFH-RJGXRXQPSA-N 1 0 388.515 3.658 20 30 GHEDRO C=CCOCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000658210877 835510470 /nfs/dbraw/zinc/51/04/70/835510470.db2.gz XWJZCAOANRZEEU-FQEVSTJZSA-N 1 0 395.471 3.640 20 30 GHEDRO C[C@@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccc(Cl)c1 ZINC000278614676 835553099 /nfs/dbraw/zinc/55/30/99/835553099.db2.gz JEVHYRWXWWWYEY-OAQYLSRUSA-N 1 0 395.894 3.509 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)C1CC1 ZINC000458796623 835583877 /nfs/dbraw/zinc/58/38/77/835583877.db2.gz QZQXECNYWVKFCU-HSZRJFAPSA-N 1 0 390.531 3.825 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179492259 835585121 /nfs/dbraw/zinc/58/51/21/835585121.db2.gz ZEPMPLIPEXQTAI-UHFFFAOYSA-N 1 0 395.469 3.820 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]4COCC[C@@H]43)sc2C1 ZINC000584099421 835587991 /nfs/dbraw/zinc/58/79/91/835587991.db2.gz NSXPTQSYHAMELI-RKVPGOIHSA-N 1 0 387.549 3.574 20 30 GHEDRO CCC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccc(C#N)cc1 ZINC000052825961 835687067 /nfs/dbraw/zinc/68/70/67/835687067.db2.gz WBNRVTZRZBZWEV-QFIPXVFZSA-N 1 0 395.478 3.509 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584176170 835729459 /nfs/dbraw/zinc/72/94/59/835729459.db2.gz YGZKFLSUJLVOBH-IRXDYDNUSA-N 1 0 378.476 3.713 20 30 GHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000512532683 844084199 /nfs/dbraw/zinc/08/41/99/844084199.db2.gz UDTHSQMIBQOLKN-LJQANCHMSA-N 1 0 377.916 3.935 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000179638722 835917770 /nfs/dbraw/zinc/91/77/70/835917770.db2.gz PXRSVXWSPOXMSK-UHFFFAOYSA-N 1 0 386.499 3.707 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000584373307 835935655 /nfs/dbraw/zinc/93/56/55/835935655.db2.gz IRKCEAVHWZEENO-WTIAFYNJSA-N 1 0 390.531 3.988 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549684068 844107411 /nfs/dbraw/zinc/10/74/11/844107411.db2.gz CZVXRNUMTURHPS-FQEVSTJZSA-N 1 0 394.567 3.865 20 30 GHEDRO C[C@](CO)([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000471229112 836039595 /nfs/dbraw/zinc/03/95/95/836039595.db2.gz SPEKCPVIYNHPJD-OAQYLSRUSA-N 1 0 389.565 3.748 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(-n2cccn2)c(F)c1)C(C)C ZINC000510159963 836103340 /nfs/dbraw/zinc/10/33/40/836103340.db2.gz KAXJFDYRZVMBEC-HXUWFJFHSA-N 1 0 385.487 3.832 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C(CC)CC)cc1 ZINC000151923385 836143821 /nfs/dbraw/zinc/14/38/21/836143821.db2.gz OUUQPULAUDVRCF-UHFFFAOYSA-O 1 0 387.573 3.940 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000187207700 836195836 /nfs/dbraw/zinc/19/58/36/836195836.db2.gz HLKGMRWLGSHLJV-NRFANRHFSA-N 1 0 389.499 3.552 20 30 GHEDRO CC1(C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000173668539 836260655 /nfs/dbraw/zinc/26/06/55/836260655.db2.gz YSEDPXMJPWADJR-UHFFFAOYSA-N 1 0 387.487 3.705 20 30 GHEDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000179884689 836264718 /nfs/dbraw/zinc/26/47/18/836264718.db2.gz XKMUUFUCTBHCEG-FQEVSTJZSA-N 1 0 388.471 3.621 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C(C)(C)C)cc1 ZINC000588985134 836316430 /nfs/dbraw/zinc/31/64/30/836316430.db2.gz PBMCGSNWTNEQMG-HXUWFJFHSA-N 1 0 382.504 3.802 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000065953758 836319940 /nfs/dbraw/zinc/31/99/40/836319940.db2.gz FPOQJRIDCBCXCZ-UHFFFAOYSA-N 1 0 399.498 3.985 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167840 836338613 /nfs/dbraw/zinc/33/86/13/836338613.db2.gz OBAQTIAIWASAAA-FQEVSTJZSA-N 1 0 380.492 3.910 20 30 GHEDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000414178871 836407220 /nfs/dbraw/zinc/40/72/20/836407220.db2.gz JUNVXMJTUGKRPX-VFVRVIDISA-N 1 0 375.538 3.619 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1OCCCC#N ZINC000376008256 836494921 /nfs/dbraw/zinc/49/49/21/836494921.db2.gz QVVJQGPNYOMNBM-UXHICEINSA-N 1 0 399.535 3.649 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000548951899 836548187 /nfs/dbraw/zinc/54/81/87/836548187.db2.gz SVZCHPURHARNCJ-IBGZPJMESA-N 1 0 388.519 3.744 20 30 GHEDRO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000613503346 836619801 /nfs/dbraw/zinc/61/98/01/836619801.db2.gz KSDLOAPPPOUWJD-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)ccc1OC ZINC000275318832 836695944 /nfs/dbraw/zinc/69/59/44/836695944.db2.gz OTAZRNYWFHYUAB-AVRDEDQJSA-N 1 0 385.508 3.620 20 30 GHEDRO CCc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)cc1 ZINC000180026914 836752724 /nfs/dbraw/zinc/75/27/24/836752724.db2.gz XHZPNQIVXRYDCF-QHCPKHFHSA-N 1 0 387.531 3.914 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176126694 844206140 /nfs/dbraw/zinc/20/61/40/844206140.db2.gz PIIDDYMGHVPGFJ-AVRDEDQJSA-N 1 0 393.556 3.961 20 30 GHEDRO COc1cc[nH+]c(N2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)c1 ZINC000511383561 836840213 /nfs/dbraw/zinc/84/02/13/836840213.db2.gz NJCQHKAVAZZGTD-UHFFFAOYSA-N 1 0 397.841 3.629 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000170876783 836854611 /nfs/dbraw/zinc/85/46/11/836854611.db2.gz JDRCSHIPNKYNTH-INIZCTEOSA-N 1 0 395.482 3.640 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cscc3C(F)(F)F)C2=O)cc1 ZINC000579895040 836876469 /nfs/dbraw/zinc/87/64/69/836876469.db2.gz DAQIHMYOHHDQIV-INIZCTEOSA-N 1 0 379.407 3.529 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000329240207 861190750 /nfs/dbraw/zinc/19/07/50/861190750.db2.gz QUWYWDPTDHHJLU-LEWJYISDSA-N 1 0 381.524 3.698 20 30 GHEDRO N#Cc1ccc(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000609455554 836924004 /nfs/dbraw/zinc/92/40/04/836924004.db2.gz CSSINJVHSFCICC-OAQYLSRUSA-N 1 0 381.907 3.925 20 30 GHEDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2cc3ccccc3n2CC#N)n1 ZINC000612937171 836981259 /nfs/dbraw/zinc/98/12/59/836981259.db2.gz IMZMKEAJQHVZPG-UHFFFAOYSA-N 1 0 387.443 3.822 20 30 GHEDRO Cc1ccnc2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000376131120 836986341 /nfs/dbraw/zinc/98/63/41/836986341.db2.gz WBSHLIKMSSETKQ-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO COc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1OCCCC#N ZINC000275409820 836997022 /nfs/dbraw/zinc/99/70/22/836997022.db2.gz ASQXOUYFFAYLOO-UHFFFAOYSA-N 1 0 399.457 3.742 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(CO)c1 ZINC000027323402 837043172 /nfs/dbraw/zinc/04/31/72/837043172.db2.gz DORAISLHCUMDBW-UHFFFAOYSA-O 1 0 397.564 3.674 20 30 GHEDRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000510253391 837052123 /nfs/dbraw/zinc/05/21/23/837052123.db2.gz HHXWUSCXANBOTD-LAUBAEHRSA-N 1 0 377.488 3.656 20 30 GHEDRO C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000027488145 837054215 /nfs/dbraw/zinc/05/42/15/837054215.db2.gz XCSISIRDYYBLCG-YJBOKZPZSA-O 1 0 398.508 3.989 20 30 GHEDRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000177742741 837108151 /nfs/dbraw/zinc/10/81/51/837108151.db2.gz RGYRVAJCPTZXJB-GTCCEBARSA-N 1 0 387.524 3.655 20 30 GHEDRO COc1cccc([C@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCC2)c1 ZINC000175995911 837120041 /nfs/dbraw/zinc/12/00/41/837120041.db2.gz GEPDBXHXURUTNU-NRFANRHFSA-N 1 0 395.528 3.878 20 30 GHEDRO N#CCCCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511421599 837210483 /nfs/dbraw/zinc/21/04/83/837210483.db2.gz MYBXNYGEWWJBRU-FCHUYYIVSA-N 1 0 376.504 3.648 20 30 GHEDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2 ZINC000180448643 837267238 /nfs/dbraw/zinc/26/72/38/837267238.db2.gz COXMYPWPRFVTOT-OAQYLSRUSA-N 1 0 388.471 3.971 20 30 GHEDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000580372294 837329063 /nfs/dbraw/zinc/32/90/63/837329063.db2.gz ONQXUMKBUZECFI-WMZOPIPTSA-N 1 0 378.398 3.974 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000580604131 837384602 /nfs/dbraw/zinc/38/46/02/837384602.db2.gz KWCLLQXBAVADJN-KRWDZBQOSA-N 1 0 379.426 3.848 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4cccc(C#N)c4)C3)nc2c1 ZINC000181159823 837858832 /nfs/dbraw/zinc/85/88/32/837858832.db2.gz HAQMYWOZGFVGLJ-GOSISDBHSA-N 1 0 387.487 3.951 20 30 GHEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415691789 837994960 /nfs/dbraw/zinc/99/49/60/837994960.db2.gz GHSFLNQDMFEZNF-GOSISDBHSA-N 1 0 396.539 3.879 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)n(-c2ccc(C#N)cc2)n1 ZINC000415699520 838000520 /nfs/dbraw/zinc/00/05/20/838000520.db2.gz JFHFWRJDIGZMKF-KRWDZBQOSA-N 1 0 394.523 3.551 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C#N)c1C ZINC000246368202 838130116 /nfs/dbraw/zinc/13/01/16/838130116.db2.gz NQVRHFZTLFSJAN-CRAIPNDOSA-N 1 0 388.581 3.762 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415805426 838132557 /nfs/dbraw/zinc/13/25/57/838132557.db2.gz NGWAJXKOZLFAHW-JSGCOSHPSA-N 1 0 382.302 3.653 20 30 GHEDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728264736 838231555 /nfs/dbraw/zinc/23/15/55/838231555.db2.gz FXRZRYVOMFJXFL-JOCHJYFZSA-N 1 0 398.510 3.970 20 30 GHEDRO Cc1ccc(Cc2ccccn2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000549386822 838251974 /nfs/dbraw/zinc/25/19/74/838251974.db2.gz UVADLOCHNQSMEQ-UHFFFAOYSA-N 1 0 379.508 3.680 20 30 GHEDRO N#CC1(c2cccnc2NCc2cccnn2)CC[NH+](Cc2ccccc2)CC1 ZINC001167319005 838257262 /nfs/dbraw/zinc/25/72/62/838257262.db2.gz BYMRASDVBNVLFO-UHFFFAOYSA-N 1 0 384.487 3.541 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Oc2ccccc2)cc1 ZINC000255131936 838295496 /nfs/dbraw/zinc/29/54/96/838295496.db2.gz XKRGDRYWHIHHFH-VNRULFPQSA-N 1 0 377.444 3.656 20 30 GHEDRO Cn1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000189596840 838303972 /nfs/dbraw/zinc/30/39/72/838303972.db2.gz GLZHGNOFQAMDQT-HKUYNNGSSA-N 1 0 392.425 3.532 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@@H]21 ZINC000579076724 838345176 /nfs/dbraw/zinc/34/51/76/838345176.db2.gz RUENNNZHAIFLSU-AEFFLSMTSA-N 1 0 381.863 3.780 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000683723783 838435179 /nfs/dbraw/zinc/43/51/79/838435179.db2.gz RQGRADYWMVSQMN-UHFFFAOYSA-N 1 0 379.504 3.689 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000162307838 838448074 /nfs/dbraw/zinc/44/80/74/838448074.db2.gz QKWFHOPLCYEMKN-YWZLYKJASA-N 1 0 379.508 3.664 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000103481984 838468428 /nfs/dbraw/zinc/46/84/28/838468428.db2.gz XVVWZUHUACWMMI-UHFFFAOYSA-N 1 0 393.878 3.861 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000181481888 838505450 /nfs/dbraw/zinc/50/54/50/838505450.db2.gz DDSOHRSYZOCQOT-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659592295 838528068 /nfs/dbraw/zinc/52/80/68/838528068.db2.gz WNHBGVRTJZTRNW-FGZHOGPDSA-N 1 0 397.494 3.678 20 30 GHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc(C#N)c2ccccc2n1 ZINC000431836023 838582104 /nfs/dbraw/zinc/58/21/04/838582104.db2.gz QHQSHKWUICAVGI-UHFFFAOYSA-N 1 0 391.563 3.739 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610347470 838590855 /nfs/dbraw/zinc/59/08/55/838590855.db2.gz BBZIZGZIKZIUFR-SFHVURJKSA-N 1 0 376.504 3.626 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1ccccc1 ZINC000416135297 838603073 /nfs/dbraw/zinc/60/30/73/838603073.db2.gz KMVGJONFDUNUCM-MSOLQXFVSA-N 1 0 386.293 3.823 20 30 GHEDRO CCN1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549115581 838615483 /nfs/dbraw/zinc/61/54/83/838615483.db2.gz FPGRTLBQRJDZGV-CTNGQTDRSA-N 1 0 389.421 3.779 20 30 GHEDRO C=CCc1cc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000416146590 838623489 /nfs/dbraw/zinc/62/34/89/838623489.db2.gz VCCLLTYAMRYZBS-HXUWFJFHSA-N 1 0 382.504 3.742 20 30 GHEDRO C=CCOCC[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000311956976 838673037 /nfs/dbraw/zinc/67/30/37/838673037.db2.gz OCSHCPUXTLEPCO-UHFFFAOYSA-N 1 0 393.119 3.903 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000610370727 838737299 /nfs/dbraw/zinc/73/72/99/838737299.db2.gz VGVGAJQAUQBYLX-PMACEKPBSA-N 1 0 382.529 3.607 20 30 GHEDRO CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])Nc1ccccn1 ZINC000170913772 838742545 /nfs/dbraw/zinc/74/25/45/838742545.db2.gz ZOWONCQGPFBLSW-UHFFFAOYSA-N 1 0 377.448 3.985 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000047750285 838819336 /nfs/dbraw/zinc/81/93/36/838819336.db2.gz HANSTFNMHFSMCV-JTSKRJEESA-N 1 0 392.503 3.764 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613618819 838870769 /nfs/dbraw/zinc/87/07/69/838870769.db2.gz VBQKCXKOCADLSI-FUHWJXTLSA-N 1 0 382.430 3.643 20 30 GHEDRO Cc1nsc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000580165776 838986198 /nfs/dbraw/zinc/98/61/98/838986198.db2.gz UJPGEOMWNONVSJ-KRWDZBQOSA-N 1 0 394.422 3.716 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000549167232 839138576 /nfs/dbraw/zinc/13/85/76/839138576.db2.gz SOSYPOXOCCLTOG-HNNXBMFYSA-N 1 0 375.394 3.800 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000415081311 839175827 /nfs/dbraw/zinc/17/58/27/839175827.db2.gz KHIIGJRREZZCBV-SFHVURJKSA-N 1 0 380.448 3.560 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000415086907 839187343 /nfs/dbraw/zinc/18/73/43/839187343.db2.gz SDMJMFYGLJPTGR-ZBFHGGJFSA-N 1 0 380.448 3.560 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000415088393 839189196 /nfs/dbraw/zinc/18/91/96/839189196.db2.gz VAAQWUAYKBMUQZ-DNVCBOLYSA-N 1 0 394.475 3.950 20 30 GHEDRO N#CC1(NC(=O)C[C@@H]2CCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378480404 839193421 /nfs/dbraw/zinc/19/34/21/839193421.db2.gz FXBJFQPPKLZBMO-FQEVSTJZSA-N 1 0 389.499 3.617 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415115439 839225068 /nfs/dbraw/zinc/22/50/68/839225068.db2.gz DSQRFZCDOXTRRE-RBUKOAKNSA-N 1 0 378.476 3.837 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415115322 839225237 /nfs/dbraw/zinc/22/52/37/839225237.db2.gz DNFYFMLJTDYLJD-VQIMIIECSA-N 1 0 378.476 3.708 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000536342838 839227990 /nfs/dbraw/zinc/22/79/90/839227990.db2.gz PFJHYMIZJRVVQX-UHFFFAOYSA-N 1 0 386.912 3.535 20 30 GHEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 ZINC000415125256 839247772 /nfs/dbraw/zinc/24/77/72/839247772.db2.gz PBTIHJLJIVZDFU-UHFFFAOYSA-N 1 0 392.503 3.909 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000548079612 839306300 /nfs/dbraw/zinc/30/63/00/839306300.db2.gz NHJZWUFZSHDBDP-QHCPKHFHSA-N 1 0 390.531 3.551 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000415167604 839319071 /nfs/dbraw/zinc/31/90/71/839319071.db2.gz TZJDREUHWFYJFS-HNAYVOBHSA-N 1 0 380.517 3.947 20 30 GHEDRO C[C@](CO)([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000511564747 839387103 /nfs/dbraw/zinc/38/71/03/839387103.db2.gz HACXTPXEBLJBCG-GOSISDBHSA-N 1 0 378.697 3.951 20 30 GHEDRO Cc1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)ccc1OCC[NH+](C)C ZINC000458192789 844434732 /nfs/dbraw/zinc/43/47/32/844434732.db2.gz CDEMUDICFVCMKY-UHFFFAOYSA-N 1 0 381.451 3.617 20 30 GHEDRO Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1OCC[NH+](C)C ZINC000458195091 844437505 /nfs/dbraw/zinc/43/75/05/844437505.db2.gz LBVUHNJKEBBNQP-UHFFFAOYSA-N 1 0 381.476 3.603 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000584577950 839526282 /nfs/dbraw/zinc/52/62/82/839526282.db2.gz CPHGUVZLNIQUGL-GVDBMIGSSA-N 1 0 394.450 3.999 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2ccc3[nH]c(C)c(C)c3c2)=[NH+]C)C1 ZINC000261764598 844465622 /nfs/dbraw/zinc/46/56/22/844465622.db2.gz OOGMNOVHJPXSDK-URAKLDTCSA-N 1 0 388.581 3.530 20 30 GHEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)CC2 ZINC000328607181 839742966 /nfs/dbraw/zinc/74/29/66/839742966.db2.gz VDPRAIWQJJLNGD-OAHLLOKOSA-N 1 0 394.441 3.967 20 30 GHEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000415500013 839870055 /nfs/dbraw/zinc/87/00/55/839870055.db2.gz MEFXLLGJNAHYIB-GOSISDBHSA-N 1 0 381.480 3.709 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000549296411 839889765 /nfs/dbraw/zinc/88/97/65/839889765.db2.gz DPZRTDXRHOGYDM-FQEVSTJZSA-N 1 0 390.535 3.846 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433488201 844488064 /nfs/dbraw/zinc/48/80/64/844488064.db2.gz UAPRHWGQHQDCOC-REWPJTCUSA-N 1 0 375.516 3.882 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000047986702 840001241 /nfs/dbraw/zinc/00/12/41/840001241.db2.gz IECAPJNCWMHUQE-HTAPYJJXSA-N 1 0 392.503 3.764 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000047010346 840125368 /nfs/dbraw/zinc/12/53/68/840125368.db2.gz YJHIUNLYBGYTRU-UHFFFAOYSA-N 1 0 397.906 3.765 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000580861567 840351331 /nfs/dbraw/zinc/35/13/31/840351331.db2.gz HSRUAZMOOPNCQX-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO Cc1cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n(C(C)(C)C)n1 ZINC000500393608 840352046 /nfs/dbraw/zinc/35/20/46/840352046.db2.gz NDBGFJDCNHQAOH-UHFFFAOYSA-N 1 0 381.524 3.915 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 ZINC000194971350 840381552 /nfs/dbraw/zinc/38/15/52/840381552.db2.gz BJJBMKPPDHHHMX-MRXNPFEDSA-O 1 0 396.580 3.856 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000566407491 840397010 /nfs/dbraw/zinc/39/70/10/840397010.db2.gz MOZAIVHLPOCMQA-QTGUNEKASA-N 1 0 391.515 3.524 20 30 GHEDRO [NH2+]=C(NCc1ccc(OCC2CC2)nc1)Nc1ccccc1OC(F)(F)F ZINC000160697717 840459290 /nfs/dbraw/zinc/45/92/90/840459290.db2.gz GSGSAQPQLNQTHG-UHFFFAOYSA-N 1 0 380.370 3.696 20 30 GHEDRO Cc1cc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC000417127800 840487326 /nfs/dbraw/zinc/48/73/26/840487326.db2.gz GYKCDGQCNLPAAL-LJQANCHMSA-N 1 0 391.519 3.576 20 30 GHEDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000276006469 840501595 /nfs/dbraw/zinc/50/15/95/840501595.db2.gz IRRURULRTSTXKK-DLBZAZTESA-N 1 0 384.549 3.991 20 30 GHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c(C#N)cc1N(C)C ZINC000417152523 840510120 /nfs/dbraw/zinc/51/01/20/840510120.db2.gz IQVNTDUTHXPVIP-UHFFFAOYSA-N 1 0 385.537 3.590 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1OC ZINC000628296493 840549716 /nfs/dbraw/zinc/54/97/16/840549716.db2.gz NLJJNDCEUIFABH-HXUWFJFHSA-N 1 0 395.927 3.571 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511717369 840564525 /nfs/dbraw/zinc/56/45/25/840564525.db2.gz WZTZTQNHYNRYSL-XMSQKQJNSA-N 1 0 391.515 3.742 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(F)cc1OC)[C@H]2CC ZINC001143386581 840573727 /nfs/dbraw/zinc/57/37/27/840573727.db2.gz LCIBAVZYSVUJTM-FPOVZHCZSA-N 1 0 378.463 3.895 20 30 GHEDRO COc1ccc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1C#N ZINC000126142811 840592376 /nfs/dbraw/zinc/59/23/76/840592376.db2.gz LDESWLNQFQECPO-UHFFFAOYSA-N 1 0 392.503 3.993 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC000610809713 844562941 /nfs/dbraw/zinc/56/29/41/844562941.db2.gz QEOLFVSTLFJTCX-WMZHIEFXSA-N 1 0 389.547 3.565 20 30 GHEDRO N#CCCCOc1cccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000610480152 840731351 /nfs/dbraw/zinc/73/13/51/840731351.db2.gz VPCHKGHWLDDDQB-UHFFFAOYSA-N 1 0 379.504 3.938 20 30 GHEDRO C[C@](CO)([NH2+]CC#Cc1ccccc1Cl)c1ccc(Br)cc1 ZINC000511625066 840827271 /nfs/dbraw/zinc/82/72/71/840827271.db2.gz PXOWINSKHGYNBN-GOSISDBHSA-N 1 0 378.697 3.951 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418567436 840925982 /nfs/dbraw/zinc/92/59/82/840925982.db2.gz WYOCHMRMSDRMKR-IRLDBZIGSA-N 1 0 397.494 3.678 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC000660596544 840979371 /nfs/dbraw/zinc/97/93/71/840979371.db2.gz DXOYZYMNXQQFFQ-UHFFFAOYSA-N 1 0 383.536 3.596 20 30 GHEDRO CC1(C)CN(C(=O)c2ccnc(C#N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000584820513 840982668 /nfs/dbraw/zinc/98/26/68/840982668.db2.gz UGRGCLCENAXTNL-JOCHJYFZSA-N 1 0 388.515 3.716 20 30 GHEDRO Cc1cc(C)cc(C2(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)CC2)c1 ZINC000048346146 841008147 /nfs/dbraw/zinc/00/81/47/841008147.db2.gz AOZBDRDGDMLZPT-UHFFFAOYSA-N 1 0 387.527 3.941 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660676219 841089742 /nfs/dbraw/zinc/08/97/42/841089742.db2.gz PTEBAKFZBKQMNK-LJQANCHMSA-N 1 0 397.588 3.905 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)C1CCC(C(F)(F)F)CC1)C(C)C ZINC001211530467 844616184 /nfs/dbraw/zinc/61/61/84/844616184.db2.gz CJIYXNDIYQFUEE-JCYILVPMSA-N 1 0 396.519 3.726 20 30 GHEDRO C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)C1=O ZINC000500014381 841260182 /nfs/dbraw/zinc/26/01/82/841260182.db2.gz ACHNZJHRZOFAHP-FQEVSTJZSA-N 1 0 393.487 3.526 20 30 GHEDRO C[C@@H](C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000500072701 841371933 /nfs/dbraw/zinc/37/19/33/841371933.db2.gz HRDXZMVXMHLWDD-LSDHHAIUSA-N 1 0 389.425 3.681 20 30 GHEDRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185685368 861196034 /nfs/dbraw/zinc/19/60/34/861196034.db2.gz FCEAJIACQGMFFN-YQQAZPJKSA-N 1 0 388.943 3.781 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000661115454 841410896 /nfs/dbraw/zinc/41/08/96/841410896.db2.gz CKMMWHRPBJTLJG-HIFRSBDPSA-N 1 0 376.302 3.649 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](O)C(C)(C)C2)C1 ZINC000329255406 861209232 /nfs/dbraw/zinc/20/92/32/861209232.db2.gz XGOBGHMNYFDREM-UEXGIBASSA-N 1 0 387.568 3.671 20 30 GHEDRO C#CCC1([NH2+][C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CCC1 ZINC000933298342 841581387 /nfs/dbraw/zinc/58/13/87/841581387.db2.gz YGKGBZUYTSDHFC-OAHLLOKOSA-N 1 0 381.501 3.863 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000126629078 841735153 /nfs/dbraw/zinc/73/51/53/841735153.db2.gz MMJOPQDKDHKPOI-HSZRJFAPSA-N 1 0 391.515 3.742 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cn2)n1 ZINC000329276081 861232086 /nfs/dbraw/zinc/23/20/86/861232086.db2.gz IWORTMVPWWCTDO-SFHVURJKSA-N 1 0 385.537 3.690 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cn2)n1 ZINC000329276079 861232662 /nfs/dbraw/zinc/23/26/62/861232662.db2.gz IWORTMVPWWCTDO-GOSISDBHSA-N 1 0 385.537 3.690 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000045757578 841776100 /nfs/dbraw/zinc/77/61/00/841776100.db2.gz RQHABPBDLIXBAB-UHFFFAOYSA-N 1 0 376.504 3.673 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2F)n1 ZINC000329280208 861243584 /nfs/dbraw/zinc/24/35/84/861243584.db2.gz KGSUCSWQAOIQRR-GOSISDBHSA-N 1 0 385.487 3.734 20 30 GHEDRO Cc1oc(NC(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c(C#N)c1C ZINC000051132671 841849216 /nfs/dbraw/zinc/84/92/16/841849216.db2.gz HRLJWFQYNLLFCI-GHTZIAJQSA-N 1 0 381.476 3.806 20 30 GHEDRO C=CCCC1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000661529844 841852243 /nfs/dbraw/zinc/85/22/43/841852243.db2.gz BILVKNIUCVLQNP-PMACEKPBSA-N 1 0 377.573 3.580 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418359769 841882614 /nfs/dbraw/zinc/88/26/14/841882614.db2.gz SKWSTOCOOBZDRV-QFIPXVFZSA-N 1 0 394.519 3.540 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCC2(CO)CCC2)cc1OC ZINC000652034812 841892250 /nfs/dbraw/zinc/89/22/50/841892250.db2.gz DLULGGKBSGFUNM-UHFFFAOYSA-N 1 0 384.314 3.665 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000610521897 841918830 /nfs/dbraw/zinc/91/88/30/841918830.db2.gz BILOBRWCHFEGHL-RDTXWAMCSA-N 1 0 390.325 3.785 20 30 GHEDRO CN1CCC([NH+]2CCC(Nc3c(C#N)cnc4c(Cl)cccc43)CC2)CC1 ZINC000581663841 841955030 /nfs/dbraw/zinc/95/50/30/841955030.db2.gz IQUPQUOPUJAHEG-UHFFFAOYSA-N 1 0 383.927 3.730 20 30 GHEDRO C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000610530857 842069682 /nfs/dbraw/zinc/06/96/82/842069682.db2.gz AFHZALKPAWGRTG-SFHVURJKSA-N 1 0 376.504 3.925 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515572 861274156 /nfs/dbraw/zinc/27/41/56/861274156.db2.gz GDUXMVHUAHIXNA-MOPGFXCFSA-N 1 0 386.442 3.650 20 30 GHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1 ZINC000561548355 842152274 /nfs/dbraw/zinc/15/22/74/842152274.db2.gz ZULYJLJOZOHFKN-UHFFFAOYSA-N 1 0 395.956 3.631 20 30 GHEDRO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1cccc(N2CCCC2)c1 ZINC000329314097 861276877 /nfs/dbraw/zinc/27/68/77/861276877.db2.gz CKKGTRFJPLXSSE-UHFFFAOYSA-N 1 0 386.540 3.648 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)CCC(=O)N2CCSc3ccccc32)CC1 ZINC000329315047 861277322 /nfs/dbraw/zinc/27/73/22/861277322.db2.gz HDMIYPHLCGDAKF-UHFFFAOYSA-N 1 0 375.538 3.594 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N(C)Cc2cc(C#N)cs2)[NH+]2CCCC2)cc1 ZINC000891495936 842199006 /nfs/dbraw/zinc/19/90/06/842199006.db2.gz UORAXLOEHIAHBF-FQEVSTJZSA-N 1 0 398.532 3.607 20 30 GHEDRO CC[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1cccc(C(F)(F)F)c1 ZINC000432374640 842247615 /nfs/dbraw/zinc/24/76/15/842247615.db2.gz SXGLFVSOMJCNLP-FUHWJXTLSA-N 1 0 391.393 3.551 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000585754843 842262250 /nfs/dbraw/zinc/26/22/50/842262250.db2.gz FQKISLCGCYYZCP-IRXDYDNUSA-N 1 0 375.538 3.646 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCCC[C@H]2CCO)c1C#N ZINC000585754703 842263191 /nfs/dbraw/zinc/26/31/91/842263191.db2.gz VHRSIBNLOJPGFD-SFHVURJKSA-N 1 0 386.540 3.657 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1OC ZINC000759959652 842296178 /nfs/dbraw/zinc/29/61/78/842296178.db2.gz ZTFNAEDWUFDESX-APWJOEFKSA-N 1 0 392.499 3.835 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C1CC1)C1CCCCC1 ZINC000047904536 842302118 /nfs/dbraw/zinc/30/21/18/842302118.db2.gz PUCOVUBNOBIEEB-UHFFFAOYSA-N 1 0 386.540 3.749 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000329345335 861310127 /nfs/dbraw/zinc/31/01/27/861310127.db2.gz QXCLLUZLKTVUMD-PMPSAXMXSA-N 1 0 390.503 3.740 20 30 GHEDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000581910600 842631457 /nfs/dbraw/zinc/63/14/57/842631457.db2.gz IHQGPTZUFYORFM-QGZVFWFLSA-N 1 0 377.897 3.561 20 30 GHEDRO O=C(Nc1cccc(N2CCCNC2=O)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329365200 861330462 /nfs/dbraw/zinc/33/04/62/861330462.db2.gz ICIKVMSTCPIHOE-SFHVURJKSA-N 1 0 388.537 3.616 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1cccs1 ZINC000512158085 842673067 /nfs/dbraw/zinc/67/30/67/842673067.db2.gz JBVOMZGOAHXFIZ-PXNSSMCTSA-N 1 0 385.508 3.621 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@H]3C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cnc12 ZINC000603893150 861340153 /nfs/dbraw/zinc/34/01/53/861340153.db2.gz MNDZOOGTUJYVRV-ITGUQSILSA-N 1 0 391.319 3.600 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000161965905 861341412 /nfs/dbraw/zinc/34/14/12/861341412.db2.gz FNNHKFVVKTZRDS-LJQANCHMSA-N 1 0 391.515 3.845 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000512179427 842776810 /nfs/dbraw/zinc/77/68/10/842776810.db2.gz CLGDFPMRUNBDAS-NJYVYQBISA-N 1 0 385.552 3.568 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000028347899 861351857 /nfs/dbraw/zinc/35/18/57/861351857.db2.gz FBSZZFYZARHPFP-LSDHHAIUSA-N 1 0 376.460 3.585 20 30 GHEDRO C=CCN1C(=O)N(CCC[N@@H+](C)Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430774262 842966066 /nfs/dbraw/zinc/96/60/66/842966066.db2.gz DFJJAPYLTWDUSN-QFIPXVFZSA-N 1 0 391.515 3.570 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000568039006 842982994 /nfs/dbraw/zinc/98/29/94/842982994.db2.gz UPICBGJIPSUHPP-HLAWJBBLSA-N 1 0 381.907 3.777 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc(OC)c1O ZINC000430882295 843124945 /nfs/dbraw/zinc/12/49/45/843124945.db2.gz JHYVZSWNCYOMHY-IBGZPJMESA-N 1 0 380.488 3.614 20 30 GHEDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662407003 843188385 /nfs/dbraw/zinc/18/83/85/843188385.db2.gz PHVUAVVOMIUWIS-LBPRGKRZSA-N 1 0 386.311 3.800 20 30 GHEDRO CCC[C@@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCOC1 ZINC000512263761 843249300 /nfs/dbraw/zinc/24/93/00/843249300.db2.gz UAQRHNDTRZTMFJ-JOCHJYFZSA-N 1 0 398.482 3.592 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610614160 843298361 /nfs/dbraw/zinc/29/83/61/843298361.db2.gz CWVKWQJDWHRELI-VXGBXAGGSA-N 1 0 379.304 3.559 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C#N)cc1F ZINC000053921537 843322661 /nfs/dbraw/zinc/32/26/61/843322661.db2.gz VOJKSKQBVXZPLP-UHFFFAOYSA-N 1 0 385.512 3.796 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCC[NH2+]1 ZINC000662549750 843409281 /nfs/dbraw/zinc/40/92/81/843409281.db2.gz XHPSUDDGINPSCV-QHCPKHFHSA-N 1 0 375.472 3.526 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)Nc3ccc(C#N)cc3C3CC3)CCCC2)CC1 ZINC000933840131 843448572 /nfs/dbraw/zinc/44/85/72/843448572.db2.gz JUZOTLHFUXWEPX-UHFFFAOYSA-N 1 0 396.535 3.981 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)cc1OC ZINC000500479984 843510636 /nfs/dbraw/zinc/51/06/36/843510636.db2.gz DGGZTYZIYRBDPW-OAQYLSRUSA-N 1 0 390.483 3.953 20 30 GHEDRO CC(C)OC(=O)c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599634045 861425641 /nfs/dbraw/zinc/42/56/41/861425641.db2.gz LDQINRHFGSTVTQ-UHFFFAOYSA-N 1 0 378.472 3.919 20 30 GHEDRO CCOc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000599633685 861425690 /nfs/dbraw/zinc/42/56/90/861425690.db2.gz DVKDQXAEUGGZAC-UHFFFAOYSA-N 1 0 381.432 3.661 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000418682957 843529449 /nfs/dbraw/zinc/52/94/49/843529449.db2.gz WQTGETYRGXPBKU-JOCHJYFZSA-N 1 0 392.503 3.591 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000510820897 843576906 /nfs/dbraw/zinc/57/69/06/843576906.db2.gz LYNDAICAQLPTNF-NRFANRHFSA-N 1 0 376.504 3.658 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418759790 843611921 /nfs/dbraw/zinc/61/19/21/843611921.db2.gz DVILLKDBDWSSFJ-INIZCTEOSA-N 1 0 398.320 3.818 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000091685806 843637853 /nfs/dbraw/zinc/63/78/53/843637853.db2.gz LIKMQKUKLLASMZ-HXUWFJFHSA-N 1 0 392.503 3.923 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261657706 843652330 /nfs/dbraw/zinc/65/23/30/843652330.db2.gz AIQGFGHZFRLHSW-HAGHYFMRSA-N 1 0 389.588 3.573 20 30 GHEDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000891914775 843792423 /nfs/dbraw/zinc/79/24/23/843792423.db2.gz BKTMNMQBGUKACJ-VXKWHMMOSA-N 1 0 392.503 3.786 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1F ZINC000512439200 843807757 /nfs/dbraw/zinc/80/77/57/843807757.db2.gz ORTTVXVCJJWCGN-HNNXBMFYSA-N 1 0 384.430 3.870 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](COC(F)F)C2)sc2c1CCCCC2 ZINC000512824318 843811128 /nfs/dbraw/zinc/81/11/28/843811128.db2.gz QQPQOJIOXKMVBV-ZDUSSCGKSA-N 1 0 397.491 3.778 20 30 GHEDRO CCN(CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)CC(F)(F)F ZINC000512818698 843814114 /nfs/dbraw/zinc/81/41/14/843814114.db2.gz XRFJTQZWCMYMNT-UHFFFAOYSA-N 1 0 387.421 3.815 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC([NH+]3CCCCC3)CC2)c1C ZINC000052005892 843977681 /nfs/dbraw/zinc/97/76/81/843977681.db2.gz OUXZWSNTUPRJKH-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660255 861491632 /nfs/dbraw/zinc/49/16/32/861491632.db2.gz KZQNQCYUUCMJQP-UHFFFAOYSA-N 1 0 375.476 3.692 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508808929 844801136 /nfs/dbraw/zinc/80/11/36/844801136.db2.gz IXCWZYNVLRAFLR-WIYYLYMNSA-N 1 0 377.536 3.893 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2ccnn2C)C1 ZINC000329477328 861499847 /nfs/dbraw/zinc/49/98/47/861499847.db2.gz OFORRGAQIRIMCZ-ZIFCJYIRSA-N 1 0 375.561 3.618 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000181217749 844826808 /nfs/dbraw/zinc/82/68/08/844826808.db2.gz KCKSMUOZMXNAGB-HNNXBMFYSA-N 1 0 383.458 3.976 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000247704940 844889946 /nfs/dbraw/zinc/88/99/46/844889946.db2.gz CTNFEOZUTIPECX-XLIONFOSSA-N 1 0 393.512 3.939 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)cc2F)n1 ZINC000329484646 861518110 /nfs/dbraw/zinc/51/81/10/861518110.db2.gz SJYDOLVQUJDDIR-LPHOPBHVSA-N 1 0 385.487 3.732 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000176244542 844942074 /nfs/dbraw/zinc/94/20/74/844942074.db2.gz FSWJDKACHHDZLY-UHFFFAOYSA-N 1 0 389.590 3.793 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cc1 ZINC000473526850 844992871 /nfs/dbraw/zinc/99/28/71/844992871.db2.gz KKFWRSVGHIENBM-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Br)c(C)c2)CC1 ZINC000458322685 845022262 /nfs/dbraw/zinc/02/22/62/845022262.db2.gz PBMPPLFUTNCLGY-UHFFFAOYSA-N 1 0 380.330 3.597 20 30 GHEDRO C[C@H]1CN([C@H](CNC(=[NH2+])Nc2ccccc2)c2c(F)cccc2Cl)CCO1 ZINC000262006746 845042193 /nfs/dbraw/zinc/04/21/93/845042193.db2.gz VTGBOPPOBVTOCP-KBXCAEBGSA-N 1 0 390.890 3.668 20 30 GHEDRO COc1ccccc1-n1nccc1C[NH2+]CCSCc1ccccc1C#N ZINC000429998808 845099907 /nfs/dbraw/zinc/09/99/07/845099907.db2.gz FLRCEIIKRDEELB-UHFFFAOYSA-N 1 0 378.501 3.776 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(OC)c1 ZINC000513244828 845133847 /nfs/dbraw/zinc/13/38/47/845133847.db2.gz VNCRIBYHGBAUCT-OAQYLSRUSA-N 1 0 394.515 3.583 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000673736553 861536369 /nfs/dbraw/zinc/53/63/69/861536369.db2.gz SXGGFVQEPUMSBM-UHFFFAOYSA-N 1 0 394.519 3.528 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)[NH+]1CCCC1 ZINC000433106021 845303771 /nfs/dbraw/zinc/30/37/71/845303771.db2.gz SKZNJZXGZIKJEJ-IFMALSPDSA-N 1 0 391.515 3.721 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2c(F)cccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000513369038 845316936 /nfs/dbraw/zinc/31/69/36/845316936.db2.gz AHCSMTRYAVGJEN-YLJYHZDGSA-N 1 0 379.479 3.751 20 30 GHEDRO CCN(CC)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000538584024 845533006 /nfs/dbraw/zinc/53/30/06/845533006.db2.gz OTGZHDIOTWEITP-UHFFFAOYSA-N 1 0 378.520 3.608 20 30 GHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282439263 861585026 /nfs/dbraw/zinc/58/50/26/861585026.db2.gz ZHNWKJZEBSHTBF-UHFFFAOYSA-N 1 0 389.931 3.663 20 30 GHEDRO O=C(NCc1nc2ccccc2n1C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329521644 861587874 /nfs/dbraw/zinc/58/78/74/861587874.db2.gz PBDMMNRNHWFADC-UHFFFAOYSA-N 1 0 381.524 3.736 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000329522082 861587936 /nfs/dbraw/zinc/58/79/36/861587936.db2.gz QZJXNBXYVYNXTE-UHFFFAOYSA-N 1 0 391.313 3.671 20 30 GHEDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000157046396 845820624 /nfs/dbraw/zinc/82/06/24/845820624.db2.gz ZTNIJBLXCSPEQQ-VQIMIIECSA-N 1 0 382.533 3.543 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000539087418 845833968 /nfs/dbraw/zinc/83/39/68/845833968.db2.gz KMELDXIYXQGEPN-UHFFFAOYSA-N 1 0 387.886 3.984 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000329544743 861629281 /nfs/dbraw/zinc/62/92/81/861629281.db2.gz GFUKBZPFZRFXJQ-LVCYWYKZSA-N 1 0 385.552 3.705 20 30 GHEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529697 846162511 /nfs/dbraw/zinc/16/25/11/846162511.db2.gz PANOUIXDGXOQDO-UHFFFAOYSA-N 1 0 390.443 3.893 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000072007029 846195170 /nfs/dbraw/zinc/19/51/70/846195170.db2.gz AVCHRKHZMILUJF-UGKGYDQZSA-N 1 0 391.515 3.915 20 30 GHEDRO C[C@]1(CNC(=O)NCc2ccc(C#N)cc2F)CCC[N@@H+]1Cc1ccccc1 ZINC000614493477 846213137 /nfs/dbraw/zinc/21/31/37/846213137.db2.gz YBXHRZUHQKPPTB-JOCHJYFZSA-N 1 0 380.467 3.551 20 30 GHEDRO C[C@@]1(CNC(=O)NC2(c3cccc(C#N)c3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000502677076 846342047 /nfs/dbraw/zinc/34/20/47/846342047.db2.gz DUKRKSQVBYHGDJ-QHCPKHFHSA-N 1 0 388.515 3.901 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C1 ZINC000329562300 861669697 /nfs/dbraw/zinc/66/96/97/861669697.db2.gz GLBZBKRLXJBEJY-WCIQWLHISA-N 1 0 385.556 3.691 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccccc2)cc1 ZINC000280498324 846416803 /nfs/dbraw/zinc/41/68/03/846416803.db2.gz CJXUDVBLKLDJHB-LJQANCHMSA-O 1 0 383.537 3.634 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183157531 846419953 /nfs/dbraw/zinc/41/99/53/846419953.db2.gz DWXDBXPWNGJPLI-GJZGRUSLSA-N 1 0 391.475 3.940 20 30 GHEDRO CCCCNC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000513697821 846453949 /nfs/dbraw/zinc/45/39/49/846453949.db2.gz SHNLHGMZPCKNIJ-UHFFFAOYSA-N 1 0 390.531 3.847 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(=S)NC2CC2)cc1 ZINC000280695441 846493643 /nfs/dbraw/zinc/49/36/43/846493643.db2.gz FBXLAZJQCUIWMD-UHFFFAOYSA-O 1 0 398.552 3.765 20 30 GHEDRO N#Cc1ccc(CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000551696442 846494430 /nfs/dbraw/zinc/49/44/30/846494430.db2.gz CHURMIVOBCKBHZ-DEOSSOPVSA-N 1 0 375.516 3.814 20 30 GHEDRO C[NH+](C)CCn1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000237008621 846528274 /nfs/dbraw/zinc/52/82/74/846528274.db2.gz LDNWTKFECHVUFT-UHFFFAOYSA-N 1 0 375.476 3.507 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(C)cc1 ZINC000179665826 861692916 /nfs/dbraw/zinc/69/29/16/861692916.db2.gz WETSFLLFONKYEI-WOJBJXKFSA-N 1 0 396.560 3.506 20 30 GHEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329577630 861694705 /nfs/dbraw/zinc/69/47/05/861694705.db2.gz ORAYNZZHKRZRRG-QEOBLSDWSA-N 1 0 389.540 3.617 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)NC3(c4cccc(C#N)c4)CC3)c2)CC1 ZINC000551947941 846594711 /nfs/dbraw/zinc/59/47/11/846594711.db2.gz NEBUULDGRNFQMA-UHFFFAOYSA-N 1 0 389.503 3.511 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511091698 846601117 /nfs/dbraw/zinc/60/11/17/846601117.db2.gz MYIMBMMTFZLZSC-INIZCTEOSA-N 1 0 384.549 3.658 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000421878913 846640926 /nfs/dbraw/zinc/64/09/26/846640926.db2.gz MPXYIGLZXKGCNG-HNNXBMFYSA-N 1 0 389.546 3.645 20 30 GHEDRO C[NH+](C)C1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 ZINC000501124523 846652739 /nfs/dbraw/zinc/65/27/39/846652739.db2.gz JFFYKDYVEYDESD-UHFFFAOYSA-N 1 0 394.523 3.599 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000684795376 846654158 /nfs/dbraw/zinc/65/41/58/846654158.db2.gz JJVKJIYGSUOHBR-JLMDMGSGSA-N 1 0 397.563 3.568 20 30 GHEDRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000502966721 846669888 /nfs/dbraw/zinc/66/98/88/846669888.db2.gz VWYFWSZPYKWKOH-UHFFFAOYSA-N 1 0 399.498 3.578 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000684805929 846717847 /nfs/dbraw/zinc/71/78/47/846717847.db2.gz QKSVDVPRQGXGHD-UXPWSPDFSA-N 1 0 391.943 3.757 20 30 GHEDRO CCN(C(=O)Nc1cc(OC)c(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599814558 861713679 /nfs/dbraw/zinc/71/36/79/861713679.db2.gz FQAILVBVYBQOEI-SFHVURJKSA-N 1 0 396.466 3.834 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1OC ZINC000501256837 846772116 /nfs/dbraw/zinc/77/21/16/846772116.db2.gz IORHRRLFDHOVRN-YLJYHZDGSA-N 1 0 380.488 3.825 20 30 GHEDRO COc1ccc([C@H](CNC(=O)NCc2ccc(C#N)s2)[NH+]2CCCCC2)cc1 ZINC000422139800 846845217 /nfs/dbraw/zinc/84/52/17/846845217.db2.gz SPSGWVOMZOYQRM-FQEVSTJZSA-N 1 0 398.532 3.655 20 30 GHEDRO COc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(F)cc1C#N ZINC000599818931 861724888 /nfs/dbraw/zinc/72/48/88/861724888.db2.gz BNCCHYWTSFPNBY-LJQANCHMSA-N 1 0 382.439 3.665 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[NH+](C)C)cc1 ZINC000582323201 846863406 /nfs/dbraw/zinc/86/34/06/846863406.db2.gz QXLIYFUZJZDCOT-TZIWHRDSSA-N 1 0 381.545 3.900 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000271766348 846913480 /nfs/dbraw/zinc/91/34/80/846913480.db2.gz IVMFZQBXJJXOOU-JOCHJYFZSA-N 1 0 379.504 3.654 20 30 GHEDRO CC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1OCC(=O)N(C)C ZINC000179730823 861737463 /nfs/dbraw/zinc/73/74/63/861737463.db2.gz DBFOEZNASSXMNM-FQEVSTJZSA-N 1 0 384.907 3.899 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272114741 846994890 /nfs/dbraw/zinc/99/48/90/846994890.db2.gz RCBBNYLUMAOQDK-UHFFFAOYSA-N 1 0 388.541 3.543 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511124798 847234128 /nfs/dbraw/zinc/23/41/28/847234128.db2.gz MLCAVXKMJGBTND-DOTOQJQBSA-N 1 0 381.442 3.893 20 30 GHEDRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237091707 847305426 /nfs/dbraw/zinc/30/54/26/847305426.db2.gz IUZOITAXNDJBSS-FQEVSTJZSA-N 1 0 379.504 3.994 20 30 GHEDRO N#CC(CC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1)(c1ccccc1)c1ccccc1 ZINC000555762056 861777514 /nfs/dbraw/zinc/77/75/14/861777514.db2.gz WBFOYDGGXNDROE-ILBGXUMGSA-N 1 0 390.527 3.796 20 30 GHEDRO CN(C(=O)C[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)C1(C#N)CCCCC1 ZINC000273371959 847319412 /nfs/dbraw/zinc/31/94/12/847319412.db2.gz BYNKIUZFTHIPFW-WOJBJXKFSA-N 1 0 387.499 3.662 20 30 GHEDRO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273402944 847328296 /nfs/dbraw/zinc/32/82/96/847328296.db2.gz HFADBZAULSEUOJ-VXKWHMMOSA-N 1 0 395.478 3.924 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511145906 847447916 /nfs/dbraw/zinc/44/79/16/847447916.db2.gz XAFCPMGEGKPXDW-UHFFFAOYSA-N 1 0 391.393 3.960 20 30 GHEDRO CCN(CC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)Cc1ccccc1Cl ZINC000503227986 847494872 /nfs/dbraw/zinc/49/48/72/847494872.db2.gz YCXHKFZWLUONOJ-NRFANRHFSA-N 1 0 397.906 3.634 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(C#N)s1)[NH+]1CCCCC1 ZINC000420904844 847523004 /nfs/dbraw/zinc/52/30/04/847523004.db2.gz BMMDIZKPTGGDDC-LJQANCHMSA-N 1 0 398.532 3.655 20 30 GHEDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502167475 847548528 /nfs/dbraw/zinc/54/85/28/847548528.db2.gz BQYQNQLBKYRBKW-HNNXBMFYSA-N 1 0 378.432 3.878 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000479191763 847549667 /nfs/dbraw/zinc/54/96/67/847549667.db2.gz QOPACOVBYNWDCE-UHFFFAOYSA-N 1 0 398.551 3.860 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCOCCc3ccccc3)CC2)c1 ZINC000502176478 847563334 /nfs/dbraw/zinc/56/33/34/847563334.db2.gz UPIXXRUGXSEZFI-UHFFFAOYSA-N 1 0 391.515 3.858 20 30 GHEDRO CC[C@@H]1C[C@@H](C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC(=O)N1 ZINC000329621975 861807950 /nfs/dbraw/zinc/80/79/50/861807950.db2.gz UNHKKMIKAWWJHJ-IAGOWNOFSA-N 1 0 379.545 3.902 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)CC1 ZINC000277722625 847718115 /nfs/dbraw/zinc/71/81/15/847718115.db2.gz AUSCHQCOKRUUAU-UHFFFAOYSA-N 1 0 379.382 3.628 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000048809118 847912887 /nfs/dbraw/zinc/91/28/87/847912887.db2.gz RMAJEEWYQFBXJH-SFHVURJKSA-N 1 0 376.504 3.932 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000158716892 847999159 /nfs/dbraw/zinc/99/91/59/847999159.db2.gz HBMHNZYMPHXFEO-UHFFFAOYSA-N 1 0 377.583 3.560 20 30 GHEDRO C[C@H]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC12CCCCC2 ZINC000329639955 861862848 /nfs/dbraw/zinc/86/28/48/861862848.db2.gz WUQZCXCJEXZGQC-IBGZPJMESA-N 1 0 399.583 3.540 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)ccc1OC ZINC000060926909 848089942 /nfs/dbraw/zinc/08/99/42/848089942.db2.gz VJXPJUCQQCDVLE-UHFFFAOYSA-N 1 0 388.552 3.775 20 30 GHEDRO CC(C)(CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C[NH+]1CCCC1 ZINC000481622177 861880995 /nfs/dbraw/zinc/88/09/95/861880995.db2.gz KZUTUYWVAPMENN-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO COc1cc2cccnc2c(N(c2ccnc(CC#N)c2)[C@H](C)CCC[NH3+])c1 ZINC001167612587 848330812 /nfs/dbraw/zinc/33/08/12/848330812.db2.gz GHKJRIGCAQKCNW-MRXNPFEDSA-N 1 0 375.476 3.970 20 30 GHEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCc3c(CC#N)cccc3C2)cc1 ZINC000599925076 861916608 /nfs/dbraw/zinc/91/66/08/861916608.db2.gz ITCNLVOKRCBACM-QFIPXVFZSA-N 1 0 376.504 3.644 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC2CC[NH+](C)CC2)c1 ZINC000120916929 848660926 /nfs/dbraw/zinc/66/09/26/848660926.db2.gz JYYUIDIKWANINQ-UHFFFAOYSA-O 1 0 396.580 3.522 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000481654057 861954282 /nfs/dbraw/zinc/95/42/82/861954282.db2.gz BUMQXCXPYDQWMM-FQEVSTJZSA-N 1 0 375.472 3.731 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CCOCC1)c1ccccc1 ZINC000166642976 848898668 /nfs/dbraw/zinc/89/86/68/848898668.db2.gz ZLPWRPVAZLHSDT-MRXNPFEDSA-N 1 0 380.448 3.778 20 30 GHEDRO N#Cc1cccc(NCC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000158765197 848903920 /nfs/dbraw/zinc/90/39/20/848903920.db2.gz KSDRGNYJWQYVSP-UHFFFAOYSA-N 1 0 396.922 3.652 20 30 GHEDRO C#Cc1cccc(NC(=S)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000731951598 861971150 /nfs/dbraw/zinc/97/11/50/861971150.db2.gz VPRCWHYRGQFACK-UHFFFAOYSA-N 1 0 379.529 3.629 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)[C@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000481672870 861981568 /nfs/dbraw/zinc/98/15/68/861981568.db2.gz GEPDRQQZRWBHDK-VQTJNVASSA-N 1 0 377.573 3.796 20 30 GHEDRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(CC#N)cc3Cl)CC2)CC1 ZINC000583153410 849196777 /nfs/dbraw/zinc/19/67/77/849196777.db2.gz KTDAKDPSZFPSKT-UHFFFAOYSA-N 1 0 388.943 3.541 20 30 GHEDRO C[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001125651130 849337235 /nfs/dbraw/zinc/33/72/35/849337235.db2.gz XNNLKDFRNQPDBB-INIZCTEOSA-N 1 0 386.417 3.620 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000583235906 849391011 /nfs/dbraw/zinc/39/10/11/849391011.db2.gz CULIOWDTLCSUQN-HXUWFJFHSA-N 1 0 383.536 3.831 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)CC(C)(C)O)c1C ZINC000180221765 862023552 /nfs/dbraw/zinc/02/35/52/862023552.db2.gz WXQFDHJNTLEUKJ-UHFFFAOYSA-N 1 0 393.531 3.823 20 30 GHEDRO C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC000522535997 862049317 /nfs/dbraw/zinc/04/93/17/862049317.db2.gz PPEMWXBILVWESJ-IAGOWNOFSA-N 1 0 381.476 3.723 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000434761171 849746665 /nfs/dbraw/zinc/74/66/65/849746665.db2.gz VVWBQITUHBSBKY-UHFFFAOYSA-N 1 0 398.894 3.550 20 30 GHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000504092329 849894181 /nfs/dbraw/zinc/89/41/81/849894181.db2.gz GKOWJVRMUNVTPL-HSZRJFAPSA-N 1 0 399.535 3.915 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc2ccccc21)C(C)C ZINC000514547955 849989906 /nfs/dbraw/zinc/98/99/06/849989906.db2.gz SLKXZYBSTPWWRU-NRFANRHFSA-N 1 0 379.504 3.593 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000604320799 862083714 /nfs/dbraw/zinc/08/37/14/862083714.db2.gz JOJHDLVMJJQLOP-KRWDZBQOSA-N 1 0 379.464 3.599 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481706002 862083877 /nfs/dbraw/zinc/08/38/77/862083877.db2.gz GTJQMCCOUIEECV-URXFXBBRSA-N 1 0 379.500 3.676 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H]3CCC[C@H]32)c1C#N ZINC000426457637 850241385 /nfs/dbraw/zinc/24/13/85/850241385.db2.gz GGGGWRYDVXFIGT-YLJYHZDGSA-N 1 0 380.492 3.821 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000424177556 850263294 /nfs/dbraw/zinc/26/32/94/850263294.db2.gz UNANISUTTFYUCM-KSSFIOAISA-N 1 0 376.298 3.624 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000514798725 850303046 /nfs/dbraw/zinc/30/30/46/850303046.db2.gz NPIXHQRKSZCMDJ-KRWDZBQOSA-N 1 0 384.911 3.759 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H]1C ZINC000443897924 862117347 /nfs/dbraw/zinc/11/73/47/862117347.db2.gz GQMILFNLUJDQOH-XMSQKQJNSA-N 1 0 376.504 3.818 20 30 GHEDRO N#Cc1ccc(OCCCON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000732193997 862117520 /nfs/dbraw/zinc/11/75/20/862117520.db2.gz PDENSTCZUBEECU-UHFFFAOYSA-N 1 0 392.503 3.860 20 30 GHEDRO C=CCC1(c2nc(-c3ccc(OCC[NH+]4CCCC4)cc3)no2)CCOCC1 ZINC000424350210 850381071 /nfs/dbraw/zinc/38/10/71/850381071.db2.gz SWGZLOWMGBJUEA-UHFFFAOYSA-N 1 0 383.492 3.836 20 30 GHEDRO CC[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)Oc1cccc(C(F)(F)F)c1 ZINC000514938480 850509624 /nfs/dbraw/zinc/50/96/24/850509624.db2.gz JAGMCKNKKLPBFW-MRXNPFEDSA-N 1 0 389.381 3.567 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000129988441 862147193 /nfs/dbraw/zinc/14/71/93/862147193.db2.gz VWCVJSWCQZEYGJ-UHFFFAOYSA-N 1 0 391.245 3.556 20 30 GHEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C1CC1 ZINC000435542600 850631250 /nfs/dbraw/zinc/63/12/50/850631250.db2.gz FVLSJEUCJIZRHC-UHFFFAOYSA-N 1 0 377.488 3.648 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC000440001994 850663511 /nfs/dbraw/zinc/66/35/11/850663511.db2.gz ITESQMYIMXVDGW-SSSFQFABSA-N 1 0 391.600 3.595 20 30 GHEDRO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424751983 850663438 /nfs/dbraw/zinc/66/34/38/850663438.db2.gz WJRLODPLDPVJQP-LPHOPBHVSA-N 1 0 394.918 3.961 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000519147839 850692842 /nfs/dbraw/zinc/69/28/42/850692842.db2.gz XFUSXIAURWIXGS-OAQYLSRUSA-N 1 0 381.545 3.991 20 30 GHEDRO C=CCC(F)(F)C(=O)N1CCC[C@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001270000874 850756748 /nfs/dbraw/zinc/75/67/48/850756748.db2.gz NRTMFLFHBQLIOD-SFHVURJKSA-N 1 0 383.508 3.868 20 30 GHEDRO N#Cc1cccc(C2(C(=O)N3CCC([N@@H+]4CCc5ccccc5C4)CC3)CC2)c1 ZINC000435672979 850760364 /nfs/dbraw/zinc/76/03/64/850760364.db2.gz MAJGDNSQGSJZKG-UHFFFAOYSA-N 1 0 385.511 3.639 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108374767 850787010 /nfs/dbraw/zinc/78/70/10/850787010.db2.gz NLRROYMGWAVZEU-KSFYIVLOSA-N 1 0 399.514 3.523 20 30 GHEDRO CC[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262006609 850839185 /nfs/dbraw/zinc/83/91/85/850839185.db2.gz VSKGAYLQPIRVEW-HOTGVXAUSA-N 1 0 388.585 3.686 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000434283356 850943336 /nfs/dbraw/zinc/94/33/36/850943336.db2.gz PCCNMYZNPPSHFV-FQEVSTJZSA-N 1 0 379.460 3.741 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000435924448 850996455 /nfs/dbraw/zinc/99/64/55/850996455.db2.gz AQWZLXFPDRIWHR-FQEVSTJZSA-N 1 0 381.545 3.849 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000434368617 851039123 /nfs/dbraw/zinc/03/91/23/851039123.db2.gz WUULZQPANJGCKB-JOCHJYFZSA-N 1 0 398.466 3.983 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180509698 862199793 /nfs/dbraw/zinc/19/97/93/862199793.db2.gz XBORLIINSVCHCU-MOPGFXCFSA-N 1 0 395.906 3.649 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000604427642 862200893 /nfs/dbraw/zinc/20/08/93/862200893.db2.gz WMUPZGXSOBIOOE-HSZRJFAPSA-N 1 0 394.515 3.543 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000515499566 851091390 /nfs/dbraw/zinc/09/13/90/851091390.db2.gz PQFRHQRBMAWVAF-FQEVSTJZSA-N 1 0 378.520 3.921 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000440383137 851107967 /nfs/dbraw/zinc/10/79/67/851107967.db2.gz UMHJGLFEYILJAQ-ZCYQVOJMSA-N 1 0 387.527 3.743 20 30 GHEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000522634692 862207988 /nfs/dbraw/zinc/20/79/88/862207988.db2.gz HNSHBMNTMXDGNT-OAHLLOKOSA-N 1 0 381.863 3.970 20 30 GHEDRO CCCNC(=O)C1([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CCCCC1 ZINC000440400720 851159542 /nfs/dbraw/zinc/15/95/42/851159542.db2.gz XWLABAVPRRNWQJ-UHFFFAOYSA-N 1 0 382.426 3.755 20 30 GHEDRO C[C@@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[N@@H+](C2CCC2)C1 ZINC000488150768 851206370 /nfs/dbraw/zinc/20/63/70/851206370.db2.gz NZZCIQLJSLWXPD-INIZCTEOSA-N 1 0 393.453 3.573 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCN[C@@H](c4ccccc4)C3)C2)c(F)c1 ZINC000515634418 851276822 /nfs/dbraw/zinc/27/68/22/851276822.db2.gz LKQCMJIGKJHAMQ-JAXLGGSGSA-N 1 0 378.495 3.749 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000425501398 851382767 /nfs/dbraw/zinc/38/27/67/851382767.db2.gz FQGOJVOOOUGADL-FGSXEWAUSA-N 1 0 376.504 3.781 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436271604 851414300 /nfs/dbraw/zinc/41/43/00/851414300.db2.gz QEGHHGWXSVFWFH-PKTZIBPZSA-N 1 0 375.516 3.573 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)CC[C@@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000434698300 851486600 /nfs/dbraw/zinc/48/66/00/851486600.db2.gz UWWWKBYSEKWSGK-QGZVFWFLSA-N 1 0 396.487 3.683 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000436381806 851537899 /nfs/dbraw/zinc/53/78/99/851537899.db2.gz BENFUIQAHRAKES-RXVVDRJESA-N 1 0 387.524 3.654 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000505806425 851549499 /nfs/dbraw/zinc/54/94/99/851549499.db2.gz HIBCBFUTXQMOJB-UHFFFAOYSA-N 1 0 376.460 3.625 20 30 GHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000111252983 851584360 /nfs/dbraw/zinc/58/43/60/851584360.db2.gz XNARXYGBCZWJRT-UHFFFAOYSA-N 1 0 392.341 3.702 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000120811848 851815039 /nfs/dbraw/zinc/81/50/39/851815039.db2.gz SRUCMHNMRGUDFN-UHFFFAOYSA-N 1 0 396.491 3.608 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000604537588 862289340 /nfs/dbraw/zinc/28/93/40/862289340.db2.gz JPTMFQCGXGCLFS-KRWDZBQOSA-N 1 0 395.528 3.822 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000437994263 851930098 /nfs/dbraw/zinc/93/00/98/851930098.db2.gz AGZOULOWRVPRNY-ODAXIHTASA-N 1 0 397.563 3.664 20 30 GHEDRO CC(C)[NH+](CCN(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000505826492 851932969 /nfs/dbraw/zinc/93/29/69/851932969.db2.gz QIMFZTKMAOWXRA-UHFFFAOYSA-N 1 0 390.597 3.878 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000249406116 852029112 /nfs/dbraw/zinc/02/91/12/852029112.db2.gz WPYHOYQIACIFJY-UNMCSNQZSA-N 1 0 389.547 3.548 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000438197363 852108080 /nfs/dbraw/zinc/10/80/80/852108080.db2.gz BKXXVXCTPLDELP-QGZVFWFLSA-N 1 0 378.476 3.695 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)NCc1ccco1 ZINC000111399463 852117443 /nfs/dbraw/zinc/11/74/43/852117443.db2.gz ILZFIWFUUXUXIN-QGZVFWFLSA-N 1 0 389.455 3.525 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)cc1 ZINC000489277784 852181062 /nfs/dbraw/zinc/18/10/62/852181062.db2.gz OROIBHIIBNUHEH-QFIPXVFZSA-N 1 0 388.515 3.992 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000489313937 852214490 /nfs/dbraw/zinc/21/44/90/852214490.db2.gz NXAHQNKCLBLFJG-FGSXEWAUSA-N 1 0 376.504 3.829 20 30 GHEDRO C=CCOc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cc1OC ZINC000414889867 852247794 /nfs/dbraw/zinc/24/77/94/852247794.db2.gz SWOAVLBDRNMHBN-NHCUHLMSSA-N 1 0 382.504 3.504 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000481829005 862337752 /nfs/dbraw/zinc/33/77/52/862337752.db2.gz DOFXNICNFGPPPR-VDGAXYAQSA-N 1 0 397.519 3.862 20 30 GHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccc2c(c1)OCCCO2 ZINC000329811891 862338396 /nfs/dbraw/zinc/33/83/96/862338396.db2.gz MXZMWLFSRUIACD-GUDVDZBRSA-N 1 0 388.508 3.842 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000329818870 862342285 /nfs/dbraw/zinc/34/22/85/862342285.db2.gz FWCLKYSVUQJNSE-MRXNPFEDSA-N 1 0 388.537 3.985 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)cc1 ZINC000506941131 852372160 /nfs/dbraw/zinc/37/21/60/852372160.db2.gz ZBPWKBYGODZNOH-UHFFFAOYSA-N 1 0 398.304 3.606 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000438456460 852422919 /nfs/dbraw/zinc/42/29/19/852422919.db2.gz PWMZLGMGYWCCIJ-PKOBYXMFSA-N 1 0 379.570 3.583 20 30 GHEDRO Cc1cc(O)c(C(C)C)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000436866779 852431717 /nfs/dbraw/zinc/43/17/17/852431717.db2.gz YXYJOYKEFWAVND-UHFFFAOYSA-N 1 0 379.504 3.900 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)C(C)C ZINC000425646389 852451617 /nfs/dbraw/zinc/45/16/17/852451617.db2.gz BQOGAAARFCTUQR-LEWJYISDSA-N 1 0 389.584 3.676 20 30 GHEDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000425651945 852493220 /nfs/dbraw/zinc/49/32/20/852493220.db2.gz NNEWRJBWSYTBNV-INIZCTEOSA-N 1 0 390.553 3.513 20 30 GHEDRO COc1cc(OC)cc(N2CCC[N@H+](CC#Cc3cccc(Cl)c3)CC2)c1 ZINC000438540140 852533464 /nfs/dbraw/zinc/53/34/64/852533464.db2.gz ZFFPXWADFZXYFB-UHFFFAOYSA-N 1 0 384.907 3.921 20 30 GHEDRO C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCC1)n1ccc2ccccc2c1=O ZINC000329849877 862370985 /nfs/dbraw/zinc/37/09/85/862370985.db2.gz NVQGVIQUXJNHTH-KRWDZBQOSA-N 1 0 399.560 3.881 20 30 GHEDRO CC(C)(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000438592259 852598897 /nfs/dbraw/zinc/59/88/97/852598897.db2.gz OFYXXPMDADTGQI-UHFFFAOYSA-N 1 0 387.487 3.983 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000438668051 852687911 /nfs/dbraw/zinc/68/79/11/852687911.db2.gz DRTUVRCOWMDFDF-HNNXBMFYSA-N 1 0 384.446 3.925 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC2(CCCCC2)CC1 ZINC000669032831 852764147 /nfs/dbraw/zinc/76/41/47/852764147.db2.gz XOMDGTWKGSRXIP-UXHICEINSA-N 1 0 399.583 3.941 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490096163 852768926 /nfs/dbraw/zinc/76/89/26/852768926.db2.gz UBCMDOOEJSOYED-GOSISDBHSA-N 1 0 392.503 3.935 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2sccc2[C@@H]1CC ZINC000669033393 852787660 /nfs/dbraw/zinc/78/76/60/852787660.db2.gz OFAHWVMZAWJMPB-NJAFHUGGSA-N 1 0 399.564 3.575 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)C1 ZINC000329894478 862403362 /nfs/dbraw/zinc/40/33/62/862403362.db2.gz BJZIVPVLOBXVBR-MRXNPFEDSA-N 1 0 377.554 3.821 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466956482 852885689 /nfs/dbraw/zinc/88/56/89/852885689.db2.gz YSFKPGAOCXDJFE-SFHVURJKSA-N 1 0 394.544 3.812 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902337 852889645 /nfs/dbraw/zinc/88/96/45/852889645.db2.gz FGBXIWWFOFUGKT-ZDUSSCGKSA-N 1 0 398.322 3.896 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000912932206 852899080 /nfs/dbraw/zinc/89/90/80/852899080.db2.gz NJNAYUPWDKNCFF-UHFFFAOYSA-N 1 0 388.471 3.781 20 30 GHEDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000329904008 862409867 /nfs/dbraw/zinc/40/98/67/862409867.db2.gz IRZQXLCSKLOLQT-PXNSSMCTSA-N 1 0 381.524 3.578 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000506010689 852942551 /nfs/dbraw/zinc/94/25/51/852942551.db2.gz SQRIXGLYRUZWDS-UHFFFAOYSA-N 1 0 387.458 3.737 20 30 GHEDRO CC(C)(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)cc(C#N)c1 ZINC000506031057 853009460 /nfs/dbraw/zinc/00/94/60/853009460.db2.gz NFIFZYKJBJKVIL-UHFFFAOYSA-N 1 0 379.479 3.887 20 30 GHEDRO CN1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329914434 862418300 /nfs/dbraw/zinc/41/83/00/862418300.db2.gz PEKJOZDWKHVVRD-WMZOPIPTSA-N 1 0 391.418 3.597 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000518219992 853068895 /nfs/dbraw/zinc/06/88/95/853068895.db2.gz IMWUBPLMGJRPIE-UHFFFAOYSA-N 1 0 378.524 3.590 20 30 GHEDRO CCCc1c(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cnn1-c1cccc(C#N)c1 ZINC000507604307 853095942 /nfs/dbraw/zinc/09/59/42/853095942.db2.gz HBPPATUXPSGMPF-GOSISDBHSA-N 1 0 379.508 3.899 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(C(F)(F)F)c1 ZINC000518267150 853138949 /nfs/dbraw/zinc/13/89/49/853138949.db2.gz HHTPIVPPCXGTFA-GOSISDBHSA-N 1 0 391.368 3.607 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000111408771 853156980 /nfs/dbraw/zinc/15/69/80/853156980.db2.gz OKVIDFOZOMCIBJ-UHFFFAOYSA-N 1 0 391.515 3.875 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000490656475 853160579 /nfs/dbraw/zinc/16/05/79/853160579.db2.gz PUONRBDOQXPGGD-IBGZPJMESA-N 1 0 392.494 3.847 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000329937300 862438469 /nfs/dbraw/zinc/43/84/69/862438469.db2.gz DNGBEKDXRJHULO-UHFFFAOYSA-N 1 0 385.489 3.718 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000894873511 853292087 /nfs/dbraw/zinc/29/20/87/853292087.db2.gz MROFGMZZRCQLDF-PWRODBHTSA-N 1 0 384.520 3.562 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473883979 853326366 /nfs/dbraw/zinc/32/63/66/853326366.db2.gz HQQCKVBOELDYOM-XMSQKQJNSA-N 1 0 376.504 3.925 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000437647458 853361109 /nfs/dbraw/zinc/36/11/09/853361109.db2.gz CWAOMUAJSCXHAU-CBQOVEMMSA-N 1 0 385.552 3.841 20 30 GHEDRO C[NH+]=C(NCc1cccc(-c2ccccn2)c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000261976586 853377352 /nfs/dbraw/zinc/37/73/52/853377352.db2.gz NQRQJKPCDLMZEN-HSZRJFAPSA-N 1 0 378.520 3.717 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000029754316 853461415 /nfs/dbraw/zinc/46/14/15/853461415.db2.gz OATXNLRJAVYCOM-HKUYNNGSSA-N 1 0 397.544 3.976 20 30 GHEDRO COC(=O)COc1c(C)cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000506552477 853564671 /nfs/dbraw/zinc/56/46/71/853564671.db2.gz JBMGVANLBASYDE-UHFFFAOYSA-N 1 0 378.472 3.892 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000329985940 862479424 /nfs/dbraw/zinc/47/94/24/862479424.db2.gz RMXGEBKEERVPDJ-ZDUSSCGKSA-N 1 0 387.459 3.572 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)CCCCCC1 ZINC000329984887 862479661 /nfs/dbraw/zinc/47/96/61/862479661.db2.gz QROIQFBEHCTWKL-QGZVFWFLSA-N 1 0 389.544 3.695 20 30 GHEDRO COc1ccc(CCC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc1 ZINC000519907599 853597971 /nfs/dbraw/zinc/59/79/71/853597971.db2.gz NEGCENHWAWHKBF-UHFFFAOYSA-N 1 0 391.515 3.528 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CCCCC1 ZINC000054927359 853603991 /nfs/dbraw/zinc/60/39/91/853603991.db2.gz LYKZCHUEOBKQLX-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO N#CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000061770741 862483769 /nfs/dbraw/zinc/48/37/69/862483769.db2.gz SLUZZPDWIJVVTR-UHFFFAOYSA-N 1 0 384.505 3.684 20 30 GHEDRO Cc1cc(C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)ccc1Br ZINC000425924060 853626734 /nfs/dbraw/zinc/62/67/34/853626734.db2.gz SCRKICFQCHPOIS-OAHLLOKOSA-N 1 0 392.341 3.698 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)CCCC2)c1 ZINC000518667046 853626777 /nfs/dbraw/zinc/62/67/77/853626777.db2.gz PFTHZYQHANHUFR-KRWDZBQOSA-N 1 0 377.488 3.995 20 30 GHEDRO Cc1ccccc1C(=O)C(C(=S)Nc1ccccc1)[n+]1cccc(CO)c1 ZINC000055011881 853629363 /nfs/dbraw/zinc/62/93/63/853629363.db2.gz FLAJHIWKBKTRBI-UHFFFAOYSA-O 1 0 377.489 3.826 20 30 GHEDRO N#Cc1cccc(CCNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000439443151 853657939 /nfs/dbraw/zinc/65/79/39/853657939.db2.gz NMOVZEHQNPTRAS-UHFFFAOYSA-N 1 0 392.503 3.787 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000520002731 853726840 /nfs/dbraw/zinc/72/68/40/853726840.db2.gz SQHOTFRNYDTLSN-MBSDFSHPSA-N 1 0 391.515 3.525 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC1CCC(C#N)CC1)c1cccc(OC)c1 ZINC000441009655 853829041 /nfs/dbraw/zinc/82/90/41/853829041.db2.gz MRVKHQRJRNYMFM-NGICGMGXSA-N 1 0 386.540 3.707 20 30 GHEDRO C=CCc1cc(C[N@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)c(O)c(OC)c1 ZINC000164283256 853902724 /nfs/dbraw/zinc/90/27/24/853902724.db2.gz QGOCLEXGJVRTNZ-UHFFFAOYSA-N 1 0 382.504 3.853 20 30 GHEDRO Cn1cc(-c2nc(C(=O)NC(C)(C)CC[NH+]3CCCCCC3)cs2)cn1 ZINC000330021152 862513168 /nfs/dbraw/zinc/51/31/68/862513168.db2.gz XIWXOJDBYYYCAM-UHFFFAOYSA-N 1 0 375.542 3.893 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000481911066 862526349 /nfs/dbraw/zinc/52/63/49/862526349.db2.gz CSLZGPWKRKITLY-DNQXCXABSA-N 1 0 375.516 3.989 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000588231231 854224686 /nfs/dbraw/zinc/22/46/86/854224686.db2.gz ODNGGHRDBDVZOT-AEFFLSMTSA-N 1 0 379.426 3.859 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588235782 854226887 /nfs/dbraw/zinc/22/68/87/854226887.db2.gz OKJTZIKPFOAKHF-APWZRJJASA-N 1 0 391.475 3.836 20 30 GHEDRO Cc1cccn2cc(CCNC(=O)Nc3ccc(C#N)c(Br)c3)nc12 ZINC000588315302 854285097 /nfs/dbraw/zinc/28/50/97/854285097.db2.gz YNCDKASAMRQFCY-UHFFFAOYSA-N 1 0 398.264 3.641 20 30 GHEDRO Cc1nc2c(F)cccc2cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000572005372 854350929 /nfs/dbraw/zinc/35/09/29/854350929.db2.gz XSIPTKXFXPCXRH-UHFFFAOYSA-N 1 0 390.462 3.758 20 30 GHEDRO Cc1ccc(S(=O)(=O)CCC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000330076925 862557318 /nfs/dbraw/zinc/55/73/18/862557318.db2.gz MONMVRIBMLVKTK-UHFFFAOYSA-N 1 0 378.538 3.522 20 30 GHEDRO CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)C1 ZINC000330079484 862558843 /nfs/dbraw/zinc/55/88/43/862558843.db2.gz IPQFEHAEQLBTSQ-KRWDZBQOSA-N 1 0 377.573 3.906 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C2)nc1 ZINC000330085375 862563170 /nfs/dbraw/zinc/56/31/70/862563170.db2.gz CWBKWDLWYVGATL-XUVXKRRUSA-N 1 0 398.551 3.871 20 30 GHEDRO Cc1cc([C@@H]2CCCN(C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)C2)[nH]n1 ZINC000328657826 854492498 /nfs/dbraw/zinc/49/24/98/854492498.db2.gz PVTSYVMKJPRPFH-XEVCZEQESA-N 1 0 387.572 3.855 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C[C@@H]1C ZINC000330096933 862571938 /nfs/dbraw/zinc/57/19/38/862571938.db2.gz ADWYBRORUAJQNC-ZWKOTPCHSA-N 1 0 386.540 3.581 20 30 GHEDRO CN(C(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000572486997 854520303 /nfs/dbraw/zinc/52/03/03/854520303.db2.gz RYUDSWHEQWNQRF-INIZCTEOSA-N 1 0 392.381 3.877 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000572494308 854524253 /nfs/dbraw/zinc/52/42/53/854524253.db2.gz QVEJXKCUIIHDLE-GOSISDBHSA-N 1 0 375.582 3.602 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000328756937 854529897 /nfs/dbraw/zinc/52/98/97/854529897.db2.gz UOIHTRPMCSVSJO-UXHICEINSA-N 1 0 385.552 3.892 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cn(-c2ccc(Br)cc2)cn1 ZINC000328767636 854534151 /nfs/dbraw/zinc/53/41/51/854534151.db2.gz HQPCMKGAXAZQGL-NVXWUHKLSA-N 1 0 389.297 3.566 20 30 GHEDRO C[C@@H]1CN(Cc2csc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)n2)C[C@@H](C)O1 ZINC000328799864 854561821 /nfs/dbraw/zinc/56/18/21/854561821.db2.gz XZLUHGVYAAUOEU-BZUAXINKSA-N 1 0 380.558 3.605 20 30 GHEDRO COc1cc(Br)cc(C)c1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328833793 854567588 /nfs/dbraw/zinc/56/75/88/854567588.db2.gz LSXVAVJTMPAMIW-ZIAGYGMSSA-N 1 0 382.302 3.719 20 30 GHEDRO CC(C)(CNC(=O)N[C@H]1CCCC12CCOCC2)[N@@H+]1CCc2ccccc2C1 ZINC000328854513 854578107 /nfs/dbraw/zinc/57/81/07/854578107.db2.gz XMQNIWLVUHJJQY-FQEVSTJZSA-N 1 0 385.552 3.676 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2)CC1 ZINC000328882602 854596323 /nfs/dbraw/zinc/59/63/23/854596323.db2.gz XHMMMADODLKEPL-QGZVFWFLSA-N 1 0 388.943 3.942 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c2nccc(C)c2c1 ZINC000328884605 854597097 /nfs/dbraw/zinc/59/70/97/854597097.db2.gz YPUBEKAUERXLFT-UHFFFAOYSA-N 1 0 375.476 3.635 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000328973772 854637702 /nfs/dbraw/zinc/63/77/02/854637702.db2.gz ATIXQNCEQAWMDB-BZUAXINKSA-N 1 0 392.931 3.825 20 30 GHEDRO COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc(Br)c1OC ZINC000330462833 854673008 /nfs/dbraw/zinc/67/30/08/854673008.db2.gz BYFKMYDMALBVNF-UHFFFAOYSA-N 1 0 385.302 3.644 20 30 GHEDRO C[N@H+](Cc1ccccc1NS(=O)(=O)CC1(CC#N)CC1)C1CCCCC1 ZINC000589125914 854703974 /nfs/dbraw/zinc/70/39/74/854703974.db2.gz NUVNPUDMWXZDBU-UHFFFAOYSA-N 1 0 375.538 3.887 20 30 GHEDRO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)n2c1 ZINC000589197988 854743359 /nfs/dbraw/zinc/74/33/59/854743359.db2.gz ICNMVJREFDGNIX-SFHVURJKSA-N 1 0 389.507 3.751 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000589310119 854803520 /nfs/dbraw/zinc/80/35/20/854803520.db2.gz MTUDCSKIDRKRBV-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO COc1cc(Cl)c(Cl)cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331104001 854805377 /nfs/dbraw/zinc/80/53/77/854805377.db2.gz FHPAUTJZPITONS-HNNXBMFYSA-N 1 0 378.325 3.765 20 30 GHEDRO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000482013914 862609446 /nfs/dbraw/zinc/60/94/46/862609446.db2.gz CVRLETMORGYCMO-JTHBVZDNSA-N 1 0 392.499 3.968 20 30 GHEDRO C=CCC1(NC(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CCCC1 ZINC000665032468 854970671 /nfs/dbraw/zinc/97/06/71/854970671.db2.gz ZAABJGILSGQWQB-UHFFFAOYSA-N 1 0 398.551 3.798 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128657539 855016204 /nfs/dbraw/zinc/01/62/04/855016204.db2.gz KFAUKYGPGOIEEJ-HOTGVXAUSA-N 1 0 375.900 3.524 20 30 GHEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000330181048 862641705 /nfs/dbraw/zinc/64/17/05/862641705.db2.gz NTNSDBJLLCSLQC-TXXUCJGISA-N 1 0 394.519 3.698 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000589739597 855118321 /nfs/dbraw/zinc/11/83/21/855118321.db2.gz XIIPQEPOHGLQDZ-UHFFFAOYSA-N 1 0 383.492 3.904 20 30 GHEDRO Cc1nc(-c2cc3c(s2)CCN(C([O-])=[NH+][C@H]2CCn4ccnc4C2)C3)cs1 ZINC000330198152 862655429 /nfs/dbraw/zinc/65/54/29/862655429.db2.gz SVNPOBHGGULRBH-AWEZNQCLSA-N 1 0 399.545 3.664 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000057174544 855256126 /nfs/dbraw/zinc/25/61/26/855256126.db2.gz HEHXXRAPJMGVEX-UHFFFAOYSA-N 1 0 385.895 3.532 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000055117265 855276461 /nfs/dbraw/zinc/27/64/61/855276461.db2.gz ARFPTLDYQWSRBF-UHFFFAOYSA-N 1 0 381.476 3.675 20 30 GHEDRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCCN1C1CC1 ZINC000330214545 862666566 /nfs/dbraw/zinc/66/65/66/862666566.db2.gz GFHMHGBKIPSLTF-GDBMZVCRSA-N 1 0 382.291 3.682 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1[NH+]1CCCC1 ZINC000499401356 855335026 /nfs/dbraw/zinc/33/50/26/855335026.db2.gz VGMIDBOAHQBNDI-SJLPKXTDSA-N 1 0 385.558 3.733 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C#N ZINC000123060893 855389860 /nfs/dbraw/zinc/38/98/60/855389860.db2.gz XSTJPUISURXGIV-OXQOHEQNSA-N 1 0 399.583 3.835 20 30 GHEDRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000133756853 862679371 /nfs/dbraw/zinc/67/93/71/862679371.db2.gz UTIDJVNMIJQZIC-UHFFFAOYSA-N 1 0 396.491 3.561 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(Br)c3F)CC2)nc1 ZINC000590644397 855530558 /nfs/dbraw/zinc/53/05/58/855530558.db2.gz CYOUMFVMWYLABH-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO C[C@]1(CNC(=O)N2CCC(c3c[nH]cn3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000330245084 862690026 /nfs/dbraw/zinc/69/00/26/862690026.db2.gz DOGVDWCXVGJPCH-JOCHJYFZSA-N 1 0 381.524 3.558 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1F ZINC000590663103 855537732 /nfs/dbraw/zinc/53/77/32/855537732.db2.gz BGOSWNQKXGOYOD-ROUUACIJSA-N 1 0 391.446 3.784 20 30 GHEDRO CC(C)c1nc([C@@H]2CCCN2C(=O)NCC2([NH+](C)C)CCCCCC2)no1 ZINC000330246942 862691738 /nfs/dbraw/zinc/69/17/38/862691738.db2.gz FJXIGPFHMJTBFF-INIZCTEOSA-N 1 0 377.533 3.899 20 30 GHEDRO CCC1(CNc2nc3c(cc2C#N)COCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000590695558 855551658 /nfs/dbraw/zinc/55/16/58/855551658.db2.gz CJDARAAEUAIBRD-UHFFFAOYSA-N 1 0 390.531 3.552 20 30 GHEDRO CCC[C@@H]1CN(c2nc3c(cc2C#N)COCC3)CC[N@@H+]1Cc1ccccc1 ZINC000590696244 855551706 /nfs/dbraw/zinc/55/17/06/855551706.db2.gz UVAUUUGVSYRMDQ-OAQYLSRUSA-N 1 0 376.504 3.517 20 30 GHEDRO C[C@H](NC(=O)c1cccc(C#N)c1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000590701826 855553349 /nfs/dbraw/zinc/55/33/49/855553349.db2.gz IQRIKKPUGDQHLG-DZGCQCFKSA-N 1 0 390.325 3.704 20 30 GHEDRO Cc1nc(-c2ccccc2)ncc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000153651170 855604279 /nfs/dbraw/zinc/60/42/79/855604279.db2.gz FXWFGEYVEHRNCU-UHFFFAOYSA-N 1 0 399.498 3.528 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(Nc4nccnc4C#N)cc3)CC2)c1 ZINC000301163422 855631571 /nfs/dbraw/zinc/63/15/71/855631571.db2.gz HUCQFWNTILKLIV-UHFFFAOYSA-N 1 0 384.487 3.723 20 30 GHEDRO CCc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc(-c2ccccn2)n1 ZINC000301191244 855638013 /nfs/dbraw/zinc/63/80/13/855638013.db2.gz WQFQNNQZCYAJBN-UHFFFAOYSA-N 1 0 398.514 3.685 20 30 GHEDRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(C#N)c1 ZINC000590928211 855658289 /nfs/dbraw/zinc/65/82/89/855658289.db2.gz UAACGIVBIMSJKZ-AWEZNQCLSA-N 1 0 382.430 3.677 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]CC1(c2cc(C)ccc2OC)CCOCC1 ZINC000237186773 855682316 /nfs/dbraw/zinc/68/23/16/855682316.db2.gz OYHIZTBIXWWVRI-UHFFFAOYSA-N 1 0 379.500 3.854 20 30 GHEDRO C[C@H](C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)CO)c1ccccc1 ZINC000553936189 855694243 /nfs/dbraw/zinc/69/42/43/855694243.db2.gz QDBOEVRVPRYAMF-SJORKVTESA-N 1 0 376.460 3.595 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000330279478 862716375 /nfs/dbraw/zinc/71/63/75/862716375.db2.gz RCIFUWVURZEWNY-NRSPTQNISA-N 1 0 395.551 3.865 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301843638 855768622 /nfs/dbraw/zinc/76/86/22/855768622.db2.gz KZTYHDHVJIJBJW-LJQANCHMSA-N 1 0 382.483 3.635 20 30 GHEDRO N#Cc1ccc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000301875076 855774640 /nfs/dbraw/zinc/77/46/40/855774640.db2.gz MFONTISZJJTOGI-ROUUACIJSA-N 1 0 375.394 3.624 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000302007911 855799749 /nfs/dbraw/zinc/79/97/49/855799749.db2.gz AYQXCNGYXUFHNW-CALCHBBNSA-N 1 0 377.488 3.982 20 30 GHEDRO COc1cccc([C@H]2[C@@H](Nc3ccc(C#N)cc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000302041560 855806333 /nfs/dbraw/zinc/80/63/33/855806333.db2.gz LPNKIMUQKSDPAZ-FPOVZHCZSA-N 1 0 378.432 3.865 20 30 GHEDRO COc1ccccc1[C@@H](CNc1nc2ccccn2c1C#N)[NH+]1CCCCC1 ZINC000302109035 855817129 /nfs/dbraw/zinc/81/71/29/855817129.db2.gz SUUFENPSNRRSHZ-LJQANCHMSA-N 1 0 375.476 3.854 20 30 GHEDRO Cc1cc(N2CCN(c3ccc(C#N)cc3F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302169918 855827069 /nfs/dbraw/zinc/82/70/69/855827069.db2.gz LVAPOKZIFJPISQ-UHFFFAOYSA-N 1 0 391.406 3.789 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000302285390 855850070 /nfs/dbraw/zinc/85/00/70/855850070.db2.gz LPFXBLPQHHDBTE-HUUCEWRRSA-N 1 0 381.442 3.903 20 30 GHEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1C(F)(F)F ZINC000302449875 855867120 /nfs/dbraw/zinc/86/71/20/855867120.db2.gz OVZVDGQQNFWPQM-FQEVSTJZSA-N 1 0 389.421 3.650 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000554430137 855900697 /nfs/dbraw/zinc/90/06/97/855900697.db2.gz KAAROQVYOLDWLC-UHFFFAOYSA-N 1 0 392.406 3.738 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441664459 855902268 /nfs/dbraw/zinc/90/22/68/855902268.db2.gz QIHVQQFVKZJKBJ-OAGGEKHMSA-N 1 0 387.549 3.574 20 30 GHEDRO C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001272881672 855916295 /nfs/dbraw/zinc/91/62/95/855916295.db2.gz CQNLKPYGLSHTKN-LJQANCHMSA-N 1 0 393.556 3.772 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000542811555 855967405 /nfs/dbraw/zinc/96/74/05/855967405.db2.gz SAKWQJBPZOVMEY-MBSDFSHPSA-N 1 0 399.498 3.649 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)C[C@H]1C(F)(F)F ZINC001168558388 855982597 /nfs/dbraw/zinc/98/25/97/855982597.db2.gz JNCUEUWSZLQYGP-KKUMJFAQSA-N 1 0 375.435 3.942 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N ZINC000249815825 855999599 /nfs/dbraw/zinc/99/95/99/855999599.db2.gz KOYUQRXYZILBSY-STXHMFSFSA-N 1 0 382.508 3.971 20 30 GHEDRO Fc1ccc(OCC(F)(F)F)c(-c2nc(C(F)(F)F)n3c2C[NH2+]CC3)c1 ZINC000904804610 856017191 /nfs/dbraw/zinc/01/71/91/856017191.db2.gz DCOVNPAXUHMEAW-UHFFFAOYSA-N 1 0 383.267 3.752 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1noc2c1CCCC2 ZINC000108919384 856058341 /nfs/dbraw/zinc/05/83/41/856058341.db2.gz WBQQRNYIZRZVRV-UHFFFAOYSA-N 1 0 387.553 3.652 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000171307145 856083674 /nfs/dbraw/zinc/08/36/74/856083674.db2.gz LEOGXEHQYYQJDC-OALUTQOASA-N 1 0 382.552 3.990 20 30 GHEDRO COc1ccc([C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CC2)c(F)c1 ZINC000591531474 856092822 /nfs/dbraw/zinc/09/28/22/856092822.db2.gz BHMNYGLVPXXQCZ-JOCHJYFZSA-N 1 0 380.467 3.811 20 30 GHEDRO COc1ccc(CC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)(C)C)cc1 ZINC000303611840 856112518 /nfs/dbraw/zinc/11/25/18/856112518.db2.gz BWKFRPPEQLMHJH-UHFFFAOYSA-N 1 0 385.552 3.928 20 30 GHEDRO COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507807468 856184904 /nfs/dbraw/zinc/18/49/04/856184904.db2.gz PAHCVMMAYLGIDW-QGZVFWFLSA-N 1 0 393.487 3.746 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C)(C#N)CC2)C[C@H]1C(F)(F)F ZINC001168568411 856192720 /nfs/dbraw/zinc/19/27/20/856192720.db2.gz LHURAMWGMSDJBT-KGLIPLIRSA-N 1 0 375.435 3.942 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000109094022 856228186 /nfs/dbraw/zinc/22/81/86/856228186.db2.gz KPGFYLKGXJLMSA-UHFFFAOYSA-N 1 0 396.922 3.748 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000591763735 856231670 /nfs/dbraw/zinc/23/16/70/856231670.db2.gz GMRBMNUFJDEXGH-CRAIPNDOSA-N 1 0 377.271 3.882 20 30 GHEDRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1c(F)cccc1Cl ZINC000591744521 856238049 /nfs/dbraw/zinc/23/80/49/856238049.db2.gz FYRHBKFCYFUPMA-INIZCTEOSA-N 1 0 390.886 3.852 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000171718417 856241965 /nfs/dbraw/zinc/24/19/65/856241965.db2.gz FLUQPEZWUXYBGN-UHFFFAOYSA-N 1 0 381.432 3.767 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CC3)CC2)nc1-c1cccc(Cl)c1 ZINC000157495521 856308568 /nfs/dbraw/zinc/30/85/68/856308568.db2.gz RRIXLRGYCBYWLX-UHFFFAOYSA-N 1 0 389.956 3.658 20 30 GHEDRO COc1ccc(CC2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000109965469 856404275 /nfs/dbraw/zinc/40/42/75/856404275.db2.gz TWTBDRFTPTZHEM-HSZRJFAPSA-N 1 0 389.499 3.627 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000905623110 856426048 /nfs/dbraw/zinc/42/60/48/856426048.db2.gz CZUZTZXZLXJMKV-JUXOCIIHSA-N 1 0 382.508 3.645 20 30 GHEDRO N#CCc1ccc(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000591959952 856433315 /nfs/dbraw/zinc/43/33/15/856433315.db2.gz KMJNMBYNPJCIJM-JOCHJYFZSA-N 1 0 376.504 3.779 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000624837739 856448501 /nfs/dbraw/zinc/44/85/01/856448501.db2.gz VSEIUMWNNBPSQD-HSALFYBXSA-N 1 0 387.572 3.652 20 30 GHEDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214062 862800967 /nfs/dbraw/zinc/80/09/67/862800967.db2.gz YAODJCDCXOCRSV-GFCCVEGCSA-N 1 0 386.215 3.694 20 30 GHEDRO N#C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cccc(Cl)c1Cl ZINC000172797476 856612439 /nfs/dbraw/zinc/61/24/39/856612439.db2.gz YMPCHUJOIQWPCL-MRXNPFEDSA-N 1 0 396.318 3.709 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(O)c(OC)c1 ZINC000164454716 862821945 /nfs/dbraw/zinc/82/19/45/862821945.db2.gz QTOOBLJBIWYNFD-LJQANCHMSA-N 1 0 394.515 3.771 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CCC3)o2)cc1 ZINC000592138976 856685527 /nfs/dbraw/zinc/68/55/27/856685527.db2.gz KZAHUNZJEDHJMA-OAQYLSRUSA-N 1 0 388.471 3.771 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000543564955 862824879 /nfs/dbraw/zinc/82/48/79/862824879.db2.gz WEJQQIQORVOKNN-QZTJIDSGSA-N 1 0 392.503 3.888 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Cc1ccc(F)cc1C ZINC000592391606 856829185 /nfs/dbraw/zinc/82/91/85/856829185.db2.gz IHENXPINUQMJHP-UGKGYDQZSA-N 1 0 379.479 3.578 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000573964441 856830227 /nfs/dbraw/zinc/83/02/27/856830227.db2.gz KQEDOQAFAXATHC-UHFFFAOYSA-N 1 0 388.519 3.627 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000427907612 856865207 /nfs/dbraw/zinc/86/52/07/856865207.db2.gz VKZYXYAJOVSHMT-VXNXHJTFSA-N 1 0 387.527 3.739 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)C1(C#N)CCSCC1)c1ccc(Cl)cc1 ZINC001128870541 856893771 /nfs/dbraw/zinc/89/37/71/856893771.db2.gz MAXYIJMMEQIOPG-KRWDZBQOSA-N 1 0 379.957 3.876 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000245549471 856949674 /nfs/dbraw/zinc/94/96/74/856949674.db2.gz ZFKWZEMWUUEDFU-DVVHHAQGSA-N 1 0 390.531 3.753 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)ccc1S(=O)(=O)C(F)F ZINC000282165730 857074709 /nfs/dbraw/zinc/07/47/09/857074709.db2.gz DPHQDKYQKBPSQH-IYXRBSQSSA-N 1 0 386.464 3.672 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000733326871 862868371 /nfs/dbraw/zinc/86/83/71/862868371.db2.gz HRJVJUPAOKHNFF-SFHVURJKSA-N 1 0 385.305 3.830 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000733325972 862868584 /nfs/dbraw/zinc/86/85/84/862868584.db2.gz BKFMYIYDGPBGRJ-QFIPXVFZSA-N 1 0 384.907 3.515 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2ccccc2C#N)CC1 ZINC000173721877 857102704 /nfs/dbraw/zinc/10/27/04/857102704.db2.gz BZBXWDNMTIVUDC-UHFFFAOYSA-N 1 0 379.529 3.740 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000112521941 857143833 /nfs/dbraw/zinc/14/38/33/857143833.db2.gz PWZRMXDPKYHCPC-QWHCGFSZSA-N 1 0 396.516 3.745 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000112521943 857144134 /nfs/dbraw/zinc/14/41/34/857144134.db2.gz PWZRMXDPKYHCPC-CHWSQXEVSA-N 1 0 396.516 3.745 20 30 GHEDRO CN1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245730056 857146229 /nfs/dbraw/zinc/14/62/29/857146229.db2.gz SSUFAZDOZVNBIM-IIBYNOLFSA-N 1 0 397.885 3.781 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC1CCN(c2ccccn2)CC1 ZINC000173971989 857188030 /nfs/dbraw/zinc/18/80/30/857188030.db2.gz RKEJBBSUNPVPEJ-UHFFFAOYSA-N 1 0 391.519 3.520 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000174057466 857203310 /nfs/dbraw/zinc/20/33/10/857203310.db2.gz WFXDYOKIXGOFKS-HNNXBMFYSA-N 1 0 391.562 3.544 20 30 GHEDRO CC[C@H](C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000064807104 857248526 /nfs/dbraw/zinc/24/85/26/857248526.db2.gz LOOYWPXGLWUAQP-SFHVURJKSA-N 1 0 387.487 3.983 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000574120997 857250352 /nfs/dbraw/zinc/25/03/52/857250352.db2.gz NLVHLEYMHWFYFT-UHFFFAOYSA-N 1 0 378.451 3.591 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1cccs1 ZINC000246183343 857274669 /nfs/dbraw/zinc/27/46/69/857274669.db2.gz NLAAOJONTUALSE-ACJLOTCBSA-N 1 0 375.444 3.711 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)CC1 ZINC000174744185 857376527 /nfs/dbraw/zinc/37/65/27/857376527.db2.gz XAQIUIXCWLPLAB-UHFFFAOYSA-N 1 0 392.503 3.740 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000520989760 857464428 /nfs/dbraw/zinc/46/44/28/857464428.db2.gz JPYBCVLPPVNTHQ-LJQANCHMSA-N 1 0 379.504 3.696 20 30 GHEDRO C[C@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001129068636 857620547 /nfs/dbraw/zinc/62/05/47/857620547.db2.gz PSRNEVVBSUXVNS-LJQANCHMSA-N 1 0 375.516 3.816 20 30 GHEDRO Cc1ccc(NC(=O)[C@]2(C#N)CC3CCC2CC3)cc1NC(=O)CC[NH+](C)C ZINC000907421018 857636142 /nfs/dbraw/zinc/63/61/42/857636142.db2.gz JYQMKUFOOPQVCW-XWTGJVNOSA-N 1 0 382.508 3.544 20 30 GHEDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113939141 857795182 /nfs/dbraw/zinc/79/51/82/857795182.db2.gz XRMINOKFMRAFLZ-INIZCTEOSA-N 1 0 389.565 3.966 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000594020293 857839776 /nfs/dbraw/zinc/83/97/76/857839776.db2.gz GOJPTUWZLQNHCE-KRWDZBQOSA-N 1 0 388.581 3.826 20 30 GHEDRO N#CCCCCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000594040975 857850945 /nfs/dbraw/zinc/85/09/45/857850945.db2.gz IJAKWKBLIPYVNP-UHFFFAOYSA-N 1 0 388.943 3.537 20 30 GHEDRO N#C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(Cl)c1Cl ZINC000594286051 858028512 /nfs/dbraw/zinc/02/85/12/858028512.db2.gz JSQMQFYVGMFBCP-CZUORRHYSA-N 1 0 398.359 3.892 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000594291397 858030532 /nfs/dbraw/zinc/03/05/32/858030532.db2.gz VBHJBWNXADCQGV-LPHOPBHVSA-N 1 0 398.304 3.652 20 30 GHEDRO Cc1c(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)cnn1-c1cc(C)ccc1C ZINC000330335032 862979760 /nfs/dbraw/zinc/97/97/60/862979760.db2.gz RDCTYBPZSYQOBZ-UTKZUKDTSA-N 1 0 393.491 3.756 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)C(=O)NC1(C#N)CCCCC1 ZINC000442728493 858074505 /nfs/dbraw/zinc/07/45/05/858074505.db2.gz JHGYPMHFKWBFOR-VXGBXAGGSA-N 1 0 384.343 3.892 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000066349168 858083576 /nfs/dbraw/zinc/08/35/76/858083576.db2.gz LIHBUQVSTUYESZ-HXUWFJFHSA-N 1 0 389.499 3.853 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000594360661 858103592 /nfs/dbraw/zinc/10/35/92/858103592.db2.gz AUCSGOWWLDQCRW-JPYJTQIMSA-N 1 0 393.531 3.943 20 30 GHEDRO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000594437299 858177518 /nfs/dbraw/zinc/17/75/18/858177518.db2.gz LFIYUMKLZBPJKB-IIBYNOLFSA-N 1 0 383.467 3.993 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594436647 858177524 /nfs/dbraw/zinc/17/75/24/858177524.db2.gz FEZOOFCKXMTDRA-ROUUACIJSA-N 1 0 381.524 3.734 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C1CCCCC1)C2 ZINC000594446748 858179192 /nfs/dbraw/zinc/17/91/92/858179192.db2.gz XFXTXDAMQSPUPG-FCHUYYIVSA-N 1 0 383.536 3.940 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000281383539 862993335 /nfs/dbraw/zinc/99/33/35/862993335.db2.gz YNKJCWOMVZLNQR-UHFFFAOYSA-N 1 0 385.552 3.698 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000594457192 858181492 /nfs/dbraw/zinc/18/14/92/858181492.db2.gz VTWFYIYFCFIREA-MSOLQXFVSA-N 1 0 381.480 3.592 20 30 GHEDRO COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442874594 858191366 /nfs/dbraw/zinc/19/13/66/858191366.db2.gz RDVOXEIHQYBLSJ-GXSJLCMTSA-N 1 0 390.652 3.735 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1C#N ZINC000442879701 858200751 /nfs/dbraw/zinc/20/07/51/858200751.db2.gz JXALIAUSOHKFON-IBGZPJMESA-N 1 0 392.503 3.909 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594552099 858202759 /nfs/dbraw/zinc/20/27/59/858202759.db2.gz YOYPIDGCSAYPDS-KSEOMHKRSA-N 1 0 382.552 3.545 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000521708511 858263507 /nfs/dbraw/zinc/26/35/07/858263507.db2.gz HVUPBGVCZPSLGH-JOCHJYFZSA-N 1 0 375.516 3.959 20 30 GHEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000595056068 858366320 /nfs/dbraw/zinc/36/63/20/858366320.db2.gz QFQOXAUEGMRBGN-SFHVURJKSA-N 1 0 397.544 3.626 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595118682 858410503 /nfs/dbraw/zinc/41/05/03/858410503.db2.gz RUSGJLGXLGIPHO-CXAGYDPISA-N 1 0 391.562 3.610 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1(C#N)CCCCC1 ZINC000595091959 858417255 /nfs/dbraw/zinc/41/72/55/858417255.db2.gz UCFPNTBIGCCNEP-MRXNPFEDSA-N 1 0 382.508 3.816 20 30 GHEDRO C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000439126743 858449573 /nfs/dbraw/zinc/44/95/73/858449573.db2.gz DSJLYSBKRZIHPY-QKKBWIMNSA-N 1 0 375.432 3.540 20 30 GHEDRO C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000439126745 858451219 /nfs/dbraw/zinc/45/12/19/858451219.db2.gz DSJLYSBKRZIHPY-SZNDQCEHSA-N 1 0 375.432 3.540 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000595270672 858457748 /nfs/dbraw/zinc/45/77/48/858457748.db2.gz KJKHSDOUFHLGRO-VXKWHMMOSA-N 1 0 392.478 3.541 20 30 GHEDRO CCC[N@H+](CCc1ccc(C#N)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000595287390 858460288 /nfs/dbraw/zinc/46/02/88/858460288.db2.gz RTUYKORCJHAYIL-UHFFFAOYSA-N 1 0 375.394 3.869 20 30 GHEDRO CC(C)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000574939748 858492409 /nfs/dbraw/zinc/49/24/09/858492409.db2.gz DGWGSMFGNWOXMR-GOSISDBHSA-N 1 0 391.924 3.757 20 30 GHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)c1cccs1 ZINC000439135997 858508283 /nfs/dbraw/zinc/50/82/83/858508283.db2.gz WSPYBJDRWPPEHL-ZDUSSCGKSA-N 1 0 376.407 3.722 20 30 GHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593000957 858525515 /nfs/dbraw/zinc/52/55/15/858525515.db2.gz CEPTWQPWHUOVSV-UHFFFAOYSA-N 1 0 397.544 3.657 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCC3(C#N)CCCCC3)cc2)C[C@H](C)O1 ZINC000595458535 858537683 /nfs/dbraw/zinc/53/76/83/858537683.db2.gz JSOSKWMQGUCIFB-OALUTQOASA-N 1 0 398.551 3.569 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000595582372 858559261 /nfs/dbraw/zinc/55/92/61/858559261.db2.gz UPSMHEVNUBDTFF-DXBBTUNJSA-N 1 0 380.536 3.622 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000595552006 858564295 /nfs/dbraw/zinc/56/42/95/858564295.db2.gz NIUIYVFLUBWXOA-UHFFFAOYSA-N 1 0 387.487 3.718 20 30 GHEDRO Cc1ccc(C)c(OC2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000067459820 858577672 /nfs/dbraw/zinc/57/76/72/858577672.db2.gz RBZZQUAIZVBABD-NRFANRHFSA-N 1 0 394.515 3.653 20 30 GHEDRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595642730 858635890 /nfs/dbraw/zinc/63/58/90/858635890.db2.gz ROUANJQINMMSMW-UHFFFAOYSA-N 1 0 387.430 3.643 20 30 GHEDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595671504 858644448 /nfs/dbraw/zinc/64/44/48/858644448.db2.gz SGSZUNLHKRSDCT-MAUKXSAKSA-N 1 0 389.565 3.700 20 30 GHEDRO N#CC1(CCC[NH+]2CCN(c3ccc(Br)cc3)CC2)CCOCC1 ZINC000595722874 858659228 /nfs/dbraw/zinc/65/92/28/858659228.db2.gz MFZKBKIJFFJJCC-UHFFFAOYSA-N 1 0 392.341 3.672 20 30 GHEDRO CCOc1ccccc1NC(=O)CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764583 858663531 /nfs/dbraw/zinc/66/35/31/858663531.db2.gz IKLZCIABZFMXHX-UHFFFAOYSA-N 1 0 393.487 3.581 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Oc4ccccc4)nn3)CCOCC2)c1 ZINC000595765713 858664233 /nfs/dbraw/zinc/66/42/33/858664233.db2.gz VFBFXRQUHMJERA-UHFFFAOYSA-N 1 0 386.455 3.936 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1Cl ZINC000595746560 858673096 /nfs/dbraw/zinc/67/30/96/858673096.db2.gz CPQVFEZKZXWJRA-AZUAARDMSA-N 1 0 397.906 3.638 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H]3c3ccccc3)CC2)cc1 ZINC000595790290 858688640 /nfs/dbraw/zinc/68/86/40/858688640.db2.gz HDKUUFZQIYFMOQ-DHIUTWEWSA-N 1 0 388.515 3.722 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC[C@H]21 ZINC000248153256 858744590 /nfs/dbraw/zinc/74/45/90/858744590.db2.gz RAVMANCBDBWAKL-NZQKXSOJSA-N 1 0 389.499 3.694 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nc4ncccc4cc3C#N)cc2)C[C@H](C)O1 ZINC000596077865 858774823 /nfs/dbraw/zinc/77/48/23/858774823.db2.gz CQBPIRMHKOKGDE-CALCHBBNSA-N 1 0 387.487 3.723 20 30 GHEDRO CC(C)(NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000596090687 858779988 /nfs/dbraw/zinc/77/99/88/858779988.db2.gz SCFPNPSGTDUTJO-LJQANCHMSA-N 1 0 380.492 3.913 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](O)C12CCCC2 ZINC000330356881 863063738 /nfs/dbraw/zinc/06/37/38/863063738.db2.gz SECSWAQATHLRJI-NQIIRXRSSA-N 1 0 385.552 3.854 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000067979196 858816213 /nfs/dbraw/zinc/81/62/13/858816213.db2.gz ICDAMPYRCSBCDH-OALUTQOASA-N 1 0 394.515 3.791 20 30 GHEDRO Cc1nc(N2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(Cl)cc1C#N ZINC000856535305 881346994 /nfs/dbraw/zinc/34/69/94/881346994.db2.gz VBGHYABXVTYPSW-IBGZPJMESA-N 1 0 399.926 3.808 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328785674 858820044 /nfs/dbraw/zinc/82/00/44/858820044.db2.gz KMHJJTYKWQTOQA-ZPUIDXCVSA-N 1 0 387.307 3.832 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328785672 858820735 /nfs/dbraw/zinc/82/07/35/858820735.db2.gz KMHJJTYKWQTOQA-VGOVLVCLSA-N 1 0 387.307 3.832 20 30 GHEDRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c2n[nH]cc21 ZINC000593158288 858834294 /nfs/dbraw/zinc/83/42/94/858834294.db2.gz GUJZJGKWSUDOPP-UHFFFAOYSA-N 1 0 388.475 3.529 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C(C)(C)C ZINC000116129587 858849365 /nfs/dbraw/zinc/84/93/65/858849365.db2.gz KZQWFDIDSSYWMA-FQEVSTJZSA-N 1 0 383.492 3.826 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(Cl)c1 ZINC000593184172 858925222 /nfs/dbraw/zinc/92/52/22/858925222.db2.gz XWWZHIIZLAQBJE-NRFANRHFSA-N 1 0 397.906 3.680 20 30 GHEDRO N#CC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCCC1 ZINC000596644020 858993980 /nfs/dbraw/zinc/99/39/80/858993980.db2.gz SCZMWJDAFIWMOD-FQEVSTJZSA-N 1 0 380.536 3.672 20 30 GHEDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000596649798 858995987 /nfs/dbraw/zinc/99/59/87/858995987.db2.gz LHGBNYBXTGEBET-NNWRFLSQSA-N 1 0 379.479 3.819 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000596679905 859001339 /nfs/dbraw/zinc/00/13/39/859001339.db2.gz ULDKRXAXHGJAJJ-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000522319969 859034273 /nfs/dbraw/zinc/03/42/73/859034273.db2.gz ZKNDITODZVNXSF-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3ccccc3O)sc2C1 ZINC000543248692 859034115 /nfs/dbraw/zinc/03/41/15/859034115.db2.gz CRMFCXFULKOSBG-OAHLLOKOSA-N 1 0 397.544 3.953 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1C#N ZINC000466669862 859034436 /nfs/dbraw/zinc/03/44/36/859034436.db2.gz HTWIVOHUCFRBNU-GJZGRUSLSA-N 1 0 382.483 3.975 20 30 GHEDRO COc1ccc(C[N@@H+]2CCc3cccc(OC)c3CC2)cc1OCCCC#N ZINC000194572812 859064873 /nfs/dbraw/zinc/06/48/73/859064873.db2.gz HUZDKUWYEHYCAM-UHFFFAOYSA-N 1 0 380.488 3.987 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC000923177225 859097564 /nfs/dbraw/zinc/09/75/64/859097564.db2.gz WNRIGZOLCRLSRZ-SFHVURJKSA-N 1 0 395.528 3.563 20 30 GHEDRO Cc1ccc2oc(CNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2c1 ZINC000596814933 859102980 /nfs/dbraw/zinc/10/29/80/859102980.db2.gz XPIFOVJHORHEQS-UHFFFAOYSA-N 1 0 390.487 3.886 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000453714547 881387892 /nfs/dbraw/zinc/38/78/92/881387892.db2.gz WQYYZNFXCLXGAQ-NRFANRHFSA-N 1 0 393.487 3.768 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1OC(F)(F)F ZINC000025255473 859206321 /nfs/dbraw/zinc/20/63/21/859206321.db2.gz ISETVNVNORYGAY-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO CCCOc1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000483281820 859269082 /nfs/dbraw/zinc/26/90/82/859269082.db2.gz DIZKEQQNCBCAKH-UHFFFAOYSA-N 1 0 386.517 3.646 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597106885 859286089 /nfs/dbraw/zinc/28/60/89/859286089.db2.gz ZSJXFXIBZNYSCT-UHFFFAOYSA-N 1 0 383.442 3.821 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N(CCC#N)c1ccccc1 ZINC000160853454 859287761 /nfs/dbraw/zinc/28/77/61/859287761.db2.gz JTUYPINSVLPSIP-RBUKOAKNSA-N 1 0 387.487 3.858 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000042643898 859307137 /nfs/dbraw/zinc/30/71/37/859307137.db2.gz OHWVNIQWHBNXJG-QFIPXVFZSA-N 1 0 377.488 3.951 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c([N+](=O)[O-])c1 ZINC000764302116 859365343 /nfs/dbraw/zinc/36/53/43/859365343.db2.gz MZNYJNMYBPJLLH-MRXNPFEDSA-N 1 0 398.850 3.971 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000160941872 859422201 /nfs/dbraw/zinc/42/22/01/859422201.db2.gz VYPAJWRGVMDDSI-UHFFFAOYSA-N 1 0 394.523 3.524 20 30 GHEDRO CCCCCCCCCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764439540 859450095 /nfs/dbraw/zinc/45/00/95/859450095.db2.gz XDLTUCUKZADECG-SFTDATJTSA-N 1 0 380.621 3.795 20 30 GHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CC1(C#N)CCCCC1 ZINC000597358902 859481795 /nfs/dbraw/zinc/48/17/95/859481795.db2.gz WWRCLWLNNFLXDW-UHFFFAOYSA-N 1 0 388.600 3.505 20 30 GHEDRO CC(C)O[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593350711 859524593 /nfs/dbraw/zinc/52/45/93/859524593.db2.gz ZUSPGIYJMINWLC-HSZRJFAPSA-N 1 0 391.515 3.805 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000601791607 859539208 /nfs/dbraw/zinc/53/92/08/859539208.db2.gz LQGUKJMOQZQUPE-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@]34CCc3ccccc34)CC2)c1 ZINC000593353269 859546966 /nfs/dbraw/zinc/54/69/66/859546966.db2.gz IZRFLGBMMIAZRW-NOZRDPDXSA-N 1 0 385.511 3.543 20 30 GHEDRO C[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCc2ccccc2C1 ZINC000593354594 859555963 /nfs/dbraw/zinc/55/59/63/859555963.db2.gz TZPZTOSXRCOQLE-VWLOTQADSA-N 1 0 387.527 3.834 20 30 GHEDRO C[C@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355373 859559727 /nfs/dbraw/zinc/55/97/27/859559727.db2.gz OOFRPTQJCQTABW-QGZVFWFLSA-N 1 0 379.479 3.657 20 30 GHEDRO Cc1cc(C)c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000060566297 859571636 /nfs/dbraw/zinc/57/16/36/859571636.db2.gz QFTDNYNVLMWWNA-UHFFFAOYSA-N 1 0 378.520 3.757 20 30 GHEDRO CCN(CC)C(=O)N1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170371048 881437964 /nfs/dbraw/zinc/43/79/64/881437964.db2.gz AMUNOFSJCRPSJY-UHFFFAOYSA-N 1 0 382.552 3.906 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CC(Cc3ccccc3)(c3ccccc3)C2)CCOCC1 ZINC000601957816 859659297 /nfs/dbraw/zinc/65/92/97/859659297.db2.gz HGKZAYKIVBDEMB-QHCPKHFHSA-N 1 0 390.527 3.554 20 30 GHEDRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC(=O)N1Cc1ccccc1 ZINC000466478250 859665371 /nfs/dbraw/zinc/66/53/71/859665371.db2.gz YFMJSTXDXLISLM-GCJKJVERSA-N 1 0 377.488 3.648 20 30 GHEDRO CC(C)c1csc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593379695 859682358 /nfs/dbraw/zinc/68/23/58/859682358.db2.gz IZWLOIAXZUVRKY-UHFFFAOYSA-N 1 0 397.548 3.602 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(F)c1F ZINC000593387523 859691793 /nfs/dbraw/zinc/69/17/93/859691793.db2.gz QGMLWHCMISGYPM-HNNXBMFYSA-N 1 0 398.457 3.861 20 30 GHEDRO C[C@@H](CC#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000597630459 859694870 /nfs/dbraw/zinc/69/48/70/859694870.db2.gz MMIDWUTWQYMPLB-WFASDCNBSA-N 1 0 375.822 3.931 20 30 GHEDRO Cc1cc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1Cl ZINC000593390601 859720149 /nfs/dbraw/zinc/72/01/49/859720149.db2.gz LUBAXCBTSODTQZ-UHFFFAOYSA-N 1 0 396.922 3.984 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000764992707 859720653 /nfs/dbraw/zinc/72/06/53/859720653.db2.gz YCOBGSZUXGAMJD-GOSISDBHSA-N 1 0 383.565 3.702 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc(C#N)c1 ZINC000611389056 859733105 /nfs/dbraw/zinc/73/31/05/859733105.db2.gz PPHNWBWYDRTABJ-NSHDSACASA-N 1 0 387.365 3.743 20 30 GHEDRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000611392905 859735969 /nfs/dbraw/zinc/73/59/69/859735969.db2.gz UURLGXYWNWTMOK-SJKOYZFVSA-N 1 0 380.355 3.810 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@H](C[N@@H+](C)CC)C2)c1=S ZINC000765035187 859742044 /nfs/dbraw/zinc/74/20/44/859742044.db2.gz AYBOBVDRZLRJEL-SFHVURJKSA-N 1 0 385.581 3.807 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCOCC1 ZINC000611434473 859754896 /nfs/dbraw/zinc/75/48/96/859754896.db2.gz SXGSCYWFASJGCT-KRWDZBQOSA-N 1 0 375.538 3.622 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@@H](C[NH+](CC)CC)C2)c1=S ZINC000765039938 859758189 /nfs/dbraw/zinc/75/81/89/859758189.db2.gz VZDPTAWMEMDKPH-INIZCTEOSA-N 1 0 391.610 3.950 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000151675435 859758650 /nfs/dbraw/zinc/75/86/50/859758650.db2.gz AGBJIKCEXBOYTG-UHFFFAOYSA-N 1 0 389.908 3.503 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCC[C@@H]3C3CC3)CC2)c1 ZINC000593413449 859789247 /nfs/dbraw/zinc/78/92/47/859789247.db2.gz BDFUWEJXSZHZBH-IFMALSPDSA-N 1 0 380.536 3.648 20 30 GHEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000611532069 859797876 /nfs/dbraw/zinc/79/78/76/859797876.db2.gz MFGFFWZGYMZQQB-GOSISDBHSA-N 1 0 388.508 3.789 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC3(CC2)COCCO3)c1 ZINC000895695863 859840844 /nfs/dbraw/zinc/84/08/44/859840844.db2.gz ILAFKKNXPKYVNX-UHFFFAOYSA-N 1 0 378.472 3.519 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000597859222 859876062 /nfs/dbraw/zinc/87/60/62/859876062.db2.gz BLRIPVBRBNEANT-HXUWFJFHSA-N 1 0 391.515 3.987 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000765321907 859913791 /nfs/dbraw/zinc/91/37/91/859913791.db2.gz AQTQIXSDCHOEHD-SFHVURJKSA-N 1 0 393.483 3.826 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602376654 859977097 /nfs/dbraw/zinc/97/70/97/859977097.db2.gz WNYJFRPWPOVICR-QGZVFWFLSA-N 1 0 383.323 3.931 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000727241514 860010438 /nfs/dbraw/zinc/01/04/38/860010438.db2.gz XLYHABGXOOKICZ-FCHUYYIVSA-N 1 0 399.510 3.852 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508921756 860023743 /nfs/dbraw/zinc/02/37/43/860023743.db2.gz MUQKNWRFPOCSIA-UHFFFAOYSA-N 1 0 379.552 3.818 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000171944109 860044663 /nfs/dbraw/zinc/04/46/63/860044663.db2.gz JNRYEZVBLWOJKP-IBGZPJMESA-N 1 0 395.507 3.624 20 30 GHEDRO COc1ccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N2CCCCC2)cc1 ZINC000602498934 860065164 /nfs/dbraw/zinc/06/51/64/860065164.db2.gz MYRPDOUEZXPJQJ-KNQAVFIVSA-N 1 0 385.552 3.911 20 30 GHEDRO Cc1cc(F)ccc1CN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513415 860066585 /nfs/dbraw/zinc/06/65/85/860066585.db2.gz JNECXWWZUHWNCD-UHFFFAOYSA-N 1 0 394.494 3.812 20 30 GHEDRO Cc1cnc(C(C)(C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593513322 860085198 /nfs/dbraw/zinc/08/51/98/860085198.db2.gz ZRFAWEKDZPQOBM-UHFFFAOYSA-N 1 0 397.548 3.522 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc(Br)c1OC ZINC000602543082 860089210 /nfs/dbraw/zinc/08/92/10/860089210.db2.gz HGWLAUWWHZUWHO-ZDUSSCGKSA-N 1 0 397.313 3.655 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3nc4ccccc4cc3[N+](=O)[O-])CC2)c1 ZINC000593514878 860090467 /nfs/dbraw/zinc/09/04/67/860090467.db2.gz GJOHLMNMPXONQI-UHFFFAOYSA-N 1 0 387.443 3.513 20 30 GHEDRO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000123810914 860093339 /nfs/dbraw/zinc/09/33/39/860093339.db2.gz BNDCFEUTXGQZBZ-HZPDHXFCSA-N 1 0 388.581 3.632 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(CCCOc3cccc4ccccc43)no1)C2 ZINC000904104244 860128066 /nfs/dbraw/zinc/12/80/66/860128066.db2.gz OWSIMKVUCUYFTG-FRIYVGAWSA-N 1 0 388.471 3.841 20 30 GHEDRO C=CC[N@@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)CC1CCCCC1 ZINC000484573534 860128071 /nfs/dbraw/zinc/12/80/71/860128071.db2.gz YKGDDVJHRSVFOG-UHFFFAOYSA-N 1 0 386.536 3.657 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000602621754 860161364 /nfs/dbraw/zinc/16/13/64/860161364.db2.gz QCHWQHLYHFZYRK-HOTGVXAUSA-N 1 0 381.442 3.973 20 30 GHEDRO N#CCCC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602668975 860201793 /nfs/dbraw/zinc/20/17/93/860201793.db2.gz HAEHYQOKXSYYND-FQEVSTJZSA-N 1 0 379.464 3.983 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1OCCCC#N ZINC000602716708 860227112 /nfs/dbraw/zinc/22/71/12/860227112.db2.gz XEDOBCRTMQPZSM-FQEVSTJZSA-N 1 0 381.476 3.564 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508956289 860272593 /nfs/dbraw/zinc/27/25/93/860272593.db2.gz OOWWPQANGGYLQG-FCHUYYIVSA-N 1 0 391.563 3.908 20 30 GHEDRO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ccc1F ZINC000598396254 860279533 /nfs/dbraw/zinc/27/95/33/860279533.db2.gz IILQLNPZXZFCTN-HXUWFJFHSA-N 1 0 377.463 3.729 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)cc1OC ZINC000727838403 860287476 /nfs/dbraw/zinc/28/74/76/860287476.db2.gz LXRBTGAJLDNNBM-IBGZPJMESA-N 1 0 381.394 3.800 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H](C)N1CC#N ZINC000602861877 860318043 /nfs/dbraw/zinc/31/80/43/860318043.db2.gz MIVVSTHYWPEAKQ-KDURUIRLSA-N 1 0 376.504 3.600 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(NC(=O)N3CCCC3)CC2)CC1 ZINC001170398917 881532948 /nfs/dbraw/zinc/53/29/48/881532948.db2.gz WQVRMMVFWHHYSZ-UHFFFAOYSA-N 1 0 380.536 3.660 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170397648 881530412 /nfs/dbraw/zinc/53/04/12/881530412.db2.gz FPOLKTQOVWOVOX-SELYQJFTSA-N 1 0 381.520 3.942 20 30 GHEDRO CC(C)(C#N)C[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000598584045 860404090 /nfs/dbraw/zinc/40/40/90/860404090.db2.gz HZOJSKKAGYUKST-QFIPXVFZSA-N 1 0 377.532 3.694 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4c(F)cccc4F)C3)CC2)cc1 ZINC000552248284 860406165 /nfs/dbraw/zinc/40/61/65/860406165.db2.gz BCKPAKZCRUKANZ-GOSISDBHSA-N 1 0 382.458 3.674 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCn3nccc32)ccc1OCc1cccc(C#N)c1 ZINC000603030723 860438185 /nfs/dbraw/zinc/43/81/85/860438185.db2.gz VRELFGPJXSCLKG-HXUWFJFHSA-N 1 0 388.471 3.967 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000465609671 860474284 /nfs/dbraw/zinc/47/42/84/860474284.db2.gz VVBKTOGYRMXCPC-FGZHOGPDSA-N 1 0 382.552 3.980 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000730024379 860489797 /nfs/dbraw/zinc/48/97/97/860489797.db2.gz GVXWRPGGRZZERE-UHFFFAOYSA-N 1 0 384.568 3.559 20 30 GHEDRO CC(C)(C)[C@H](CO)Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001168552560 860492490 /nfs/dbraw/zinc/49/24/90/860492490.db2.gz NFEUXDSSDYZYIM-NRFANRHFSA-N 1 0 392.547 3.958 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)C(F)(F)F)c1 ZINC000904536388 860500372 /nfs/dbraw/zinc/50/03/72/860500372.db2.gz CPUMVHDHPAOZHN-IRXDYDNUSA-N 1 0 394.441 3.855 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N3CCC(C[NH3+])(c4ccccc4)CC3)cc2n1 ZINC000904539788 860500603 /nfs/dbraw/zinc/50/06/03/860500603.db2.gz XFLIZJNXOWGXFK-UHFFFAOYSA-N 1 0 389.503 3.747 20 30 GHEDRO COc1cccc([C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c2cc(F)ccc2OC)c1 ZINC000598720363 860528104 /nfs/dbraw/zinc/52/81/04/860528104.db2.gz OLGSQPGGJZYKII-DYESRHJHSA-N 1 0 386.467 3.823 20 30 GHEDRO COc1cc(OC)cc(Oc2cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2)c1 ZINC000598727313 860530671 /nfs/dbraw/zinc/53/06/71/860530671.db2.gz GMKJDLXGVVTVJW-KRWDZBQOSA-N 1 0 384.476 3.886 20 30 GHEDRO CC(C)[C@H](CNC(=O)CCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025539271 860534946 /nfs/dbraw/zinc/53/49/46/860534946.db2.gz SYAGNLCQZJGKFH-QHCPKHFHSA-N 1 0 375.516 3.690 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)cc2)cs1 ZINC000552497441 860538733 /nfs/dbraw/zinc/53/87/33/860538733.db2.gz LSCMVAAXIXFFPP-LJQANCHMSA-N 1 0 379.485 3.520 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCN(c2ccccc2)CC1)C(C)C ZINC000615681636 860566291 /nfs/dbraw/zinc/56/62/91/860566291.db2.gz GFDHPRDBIIYVSR-QFIPXVFZSA-N 1 0 384.568 3.607 20 30 GHEDRO CCOC[C@@H]1Cn2nccc2C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170381678 881557443 /nfs/dbraw/zinc/55/74/43/881557443.db2.gz VPZDSOGCWAEOLT-YGWXTMFKSA-N 1 0 378.520 3.756 20 30 GHEDRO CCOC(=O)C1(C)CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000474709715 860662100 /nfs/dbraw/zinc/66/21/00/860662100.db2.gz OMVMHZUMCHEZHZ-DKTYTTGXSA-N 1 0 387.499 3.768 20 30 GHEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC1CC1 ZINC000598978297 860711661 /nfs/dbraw/zinc/71/16/61/860711661.db2.gz RUQMMRRYQUHMBB-UHFFFAOYSA-N 1 0 393.487 3.983 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(C#N)c(Cl)n2)CC1 ZINC001128516873 860804246 /nfs/dbraw/zinc/80/42/46/860804246.db2.gz QJVRVSWFRYOREQ-UHFFFAOYSA-N 1 0 397.910 3.637 20 30 GHEDRO CCOc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1OC ZINC000593688367 860823517 /nfs/dbraw/zinc/82/35/17/860823517.db2.gz PLJOEJAQJBVPBP-UHFFFAOYSA-N 1 0 379.504 3.720 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453454772 860838867 /nfs/dbraw/zinc/83/88/67/860838867.db2.gz QZDUKNBTVOOHGH-SFHVURJKSA-N 1 0 389.588 3.695 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(-c2cccs2)n1 ZINC000593692420 860854346 /nfs/dbraw/zinc/85/43/46/860854346.db2.gz FCZGQNMJDGQBEN-UHFFFAOYSA-N 1 0 391.544 3.774 20 30 GHEDRO Cn1c(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)nc2cc(Cl)ccc21 ZINC000593693122 860867389 /nfs/dbraw/zinc/86/73/89/860867389.db2.gz PSJKOFNOEMOEHG-UHFFFAOYSA-N 1 0 393.922 3.853 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncc(Cc3cccc(OC)c3)s2)CC1 ZINC000730110507 860875503 /nfs/dbraw/zinc/87/55/03/860875503.db2.gz WJBOUGQTSMAFKX-UHFFFAOYSA-N 1 0 386.521 3.514 20 30 GHEDRO Cn1nccc1-c1ccccc1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693197 860905152 /nfs/dbraw/zinc/90/51/52/860905152.db2.gz SPBDMTKTZYEKHD-UHFFFAOYSA-N 1 0 385.515 3.713 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000237620568 881598465 /nfs/dbraw/zinc/59/84/65/881598465.db2.gz MLZPEEMOYCBKSU-HXUWFJFHSA-N 1 0 389.478 3.950 20 30 GHEDRO COc1cccc(NC(=S)C(C(=O)c2ccc(C#N)cc2)[n+]2ccccc2)c1 ZINC000185573424 860993356 /nfs/dbraw/zinc/99/33/56/860993356.db2.gz KJGYQQPAUGGTJI-UHFFFAOYSA-O 1 0 388.472 3.905 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCc2ccccc2)c1 ZINC000185575150 861009664 /nfs/dbraw/zinc/00/96/64/861009664.db2.gz LQQFCXBFBYCCOP-UHFFFAOYSA-O 1 0 386.500 3.883 20 30 GHEDRO CCc1cccc2c(C3CC[NH+](C[C@@H](O)CC4(C#N)CCOCC4)CC3)c[nH]c21 ZINC000599268686 861017848 /nfs/dbraw/zinc/01/78/48/861017848.db2.gz IIXZGOOXMUQSRM-FQEVSTJZSA-N 1 0 395.547 3.981 20 30 GHEDRO CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000599304581 861048143 /nfs/dbraw/zinc/04/81/43/861048143.db2.gz YIPXUYUYJWTOAD-NHCUHLMSSA-N 1 0 376.516 3.786 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000599320376 861059711 /nfs/dbraw/zinc/05/97/11/861059711.db2.gz PZEXZEIAAPLCEO-UHFFFAOYSA-N 1 0 391.559 3.846 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000329145202 861064100 /nfs/dbraw/zinc/06/41/00/861064100.db2.gz ACGCYKPESVPNNZ-ROUUACIJSA-N 1 0 386.521 3.826 20 30 GHEDRO CCc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000329146284 861065926 /nfs/dbraw/zinc/06/59/26/861065926.db2.gz OIFYBIKUJYEAET-UXHICEINSA-N 1 0 395.551 3.776 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccccc2)cc1OC ZINC000599349365 861087624 /nfs/dbraw/zinc/08/76/24/861087624.db2.gz NSDFCWMDGYXUML-PMACEKPBSA-N 1 0 380.488 3.632 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(C#N)cc1 ZINC000599349133 861089055 /nfs/dbraw/zinc/08/90/55/861089055.db2.gz DXSCBXOZDPUJIG-SGTLLEGYSA-N 1 0 384.277 3.925 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000599403940 861142377 /nfs/dbraw/zinc/14/23/77/861142377.db2.gz JJZGKNZJGARWSW-QZTJIDSGSA-N 1 0 382.426 3.817 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(Oc2cccnc2)cc1 ZINC000599422749 861165241 /nfs/dbraw/zinc/16/52/41/861165241.db2.gz WQUJTIRNERORBG-PKOBYXMFSA-N 1 0 381.476 3.596 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)CCOCC1 ZINC000599426672 861170145 /nfs/dbraw/zinc/17/01/45/861170145.db2.gz MBQFEDCIEKASNX-AEFFLSMTSA-N 1 0 380.941 3.578 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(F)c(Br)c1 ZINC000599428861 861171621 /nfs/dbraw/zinc/17/16/21/861171621.db2.gz SHGMOHVNVCNXNZ-WFASDCNBSA-N 1 0 393.256 3.550 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(Br)cc1F ZINC000599416782 861186894 /nfs/dbraw/zinc/18/68/94/861186894.db2.gz NJVIAIIBTMGANH-IUODEOHRSA-N 1 0 393.256 3.550 20 30 GHEDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(C#N)c(C)c3)nc12 ZINC000444004640 863134029 /nfs/dbraw/zinc/13/40/29/863134029.db2.gz ZFXVSXNAJNXZLW-UHFFFAOYSA-N 1 0 383.293 3.918 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000733800426 863191776 /nfs/dbraw/zinc/19/17/76/863191776.db2.gz ZYIJLZLDYMPASE-MJGOQNOKSA-N 1 0 386.521 3.531 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(-c2nccn2C)c1)C(C)C ZINC000605921448 863299101 /nfs/dbraw/zinc/29/91/01/863299101.db2.gz VLPNNURJRIAFCZ-HXUWFJFHSA-N 1 0 381.524 3.907 20 30 GHEDRO CSCc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000482606845 863383218 /nfs/dbraw/zinc/38/32/18/863383218.db2.gz OSUMOSBESIPAOO-UHFFFAOYSA-N 1 0 397.519 3.977 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000444167919 863582598 /nfs/dbraw/zinc/58/25/98/863582598.db2.gz FZKGSDWVVKHFCJ-SFTDATJTSA-N 1 0 384.568 3.745 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)CC2CC2)C1 ZINC000444180428 863625626 /nfs/dbraw/zinc/62/56/26/863625626.db2.gz GPQJFSCKXBPXSN-UHFFFAOYSA-N 1 0 378.520 3.560 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000594019464 863758711 /nfs/dbraw/zinc/75/87/11/863758711.db2.gz LXFNXYWVAGISBB-UHFFFAOYSA-N 1 0 385.471 3.710 20 30 GHEDRO Cc1ccsc1-c1nnc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594033088 863802881 /nfs/dbraw/zinc/80/28/81/863802881.db2.gz HKBHFBZLMTUTOO-UHFFFAOYSA-N 1 0 393.472 3.586 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3nc4ccc(F)cc4s3)CCC2)cc1 ZINC000594033566 863833159 /nfs/dbraw/zinc/83/31/59/863833159.db2.gz TUGJCZQEADSJFC-UHFFFAOYSA-N 1 0 380.448 3.915 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@H]([NH+]3CC=CC3)C2)c1Br ZINC000480057875 863959186 /nfs/dbraw/zinc/95/91/86/863959186.db2.gz HTUYNANCDKKHCP-HNNXBMFYSA-N 1 0 383.293 3.628 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000158968233 864000758 /nfs/dbraw/zinc/00/07/58/864000758.db2.gz QKNQHZMEGZPKAP-NRFANRHFSA-N 1 0 396.579 3.910 20 30 GHEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])Nc3cccc4c3CCCC4)C2)c1 ZINC000262428496 864127392 /nfs/dbraw/zinc/12/73/92/864127392.db2.gz DGGDYMHPSZDTKX-KRWDZBQOSA-N 1 0 378.520 3.827 20 30 GHEDRO C=CCOc1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1 ZINC000475087580 864130522 /nfs/dbraw/zinc/13/05/22/864130522.db2.gz IUHRQKZCGQPECQ-ROUUACIJSA-N 1 0 375.513 3.752 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](/N=C\c2cc(Br)ccc2O)[C@H](C)C1 ZINC000734366469 864180345 /nfs/dbraw/zinc/18/03/45/864180345.db2.gz SULDSSUUDZKCMV-UYLJDZFGSA-N 1 0 383.330 3.711 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)[NH+](C)C)cc1 ZINC000184341397 864358995 /nfs/dbraw/zinc/35/89/95/864358995.db2.gz REGPYTJALMOWMU-JXFKEZNVSA-N 1 0 380.492 3.964 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccncc1 ZINC000734654486 864371667 /nfs/dbraw/zinc/37/16/67/864371667.db2.gz WJTFCYSRRCGZPC-SFTDATJTSA-N 1 0 394.519 3.844 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000480321442 864476051 /nfs/dbraw/zinc/47/60/51/864476051.db2.gz VSWCEKLIRRNIBX-HSZRJFAPSA-N 1 0 392.547 3.899 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554580120 864571740 /nfs/dbraw/zinc/57/17/40/864571740.db2.gz XTQOIKBQVZBQNG-FQEVSTJZSA-N 1 0 399.922 3.816 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccc(OCCC)cc2)CC1 ZINC000735016760 864577821 /nfs/dbraw/zinc/57/78/21/864577821.db2.gz LBYZTVSVBKYUFS-PKTZIBPZSA-N 1 0 398.547 3.627 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000025867490 864601303 /nfs/dbraw/zinc/60/13/03/864601303.db2.gz GXFKXKHYXWAWPJ-RDTXWAMCSA-N 1 0 389.293 3.606 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000063403239 864655710 /nfs/dbraw/zinc/65/57/10/864655710.db2.gz CJEQYYBBJODPMB-UWJYYQICSA-N 1 0 388.512 3.803 20 30 GHEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)Nc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000735223727 864670200 /nfs/dbraw/zinc/67/02/00/864670200.db2.gz GHWAPTUFXAYSEV-QGZVFWFLSA-N 1 0 376.570 3.714 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000475261699 864672804 /nfs/dbraw/zinc/67/28/04/864672804.db2.gz FAKWLESWYFXITP-LJQANCHMSA-N 1 0 397.563 3.667 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000475263226 864675659 /nfs/dbraw/zinc/67/56/59/864675659.db2.gz BDIVXSSNNZRBEY-SFHVURJKSA-N 1 0 383.536 3.610 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063402405 864696169 /nfs/dbraw/zinc/69/61/69/864696169.db2.gz YBXHADNMXBSODW-QHCPKHFHSA-N 1 0 388.515 3.920 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)c1 ZINC000025941461 864811666 /nfs/dbraw/zinc/81/16/66/864811666.db2.gz SGJJOSPUBGYUBK-UHFFFAOYSA-N 1 0 379.467 3.814 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000735491136 864812740 /nfs/dbraw/zinc/81/27/40/864812740.db2.gz AGOWZLBSTZOVJF-KGSLCBSSSA-N 1 0 396.579 3.967 20 30 GHEDRO CC(C)C1CCC(NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)CC1 ZINC000262477438 864857181 /nfs/dbraw/zinc/85/71/81/864857181.db2.gz ZZRPZQYXDOBLOF-PGYGNJIDSA-N 1 0 397.629 3.504 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000583665895 864951859 /nfs/dbraw/zinc/95/18/59/864951859.db2.gz SMKJPMSKPKPIRU-IINYFYTJSA-N 1 0 390.119 3.677 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1C#N ZINC000480673778 865070095 /nfs/dbraw/zinc/07/00/95/865070095.db2.gz WQZZVTRUELCGRW-SFHVURJKSA-N 1 0 386.455 3.584 20 30 GHEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480680980 865103278 /nfs/dbraw/zinc/10/32/78/865103278.db2.gz PCYIDZCJBNFWDV-RHSMWYFYSA-N 1 0 392.341 3.838 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000554928502 865188147 /nfs/dbraw/zinc/18/81/47/865188147.db2.gz PETMOTXZLZCAMZ-TZIWHRDSSA-N 1 0 381.568 3.806 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000856904970 881847432 /nfs/dbraw/zinc/84/74/32/881847432.db2.gz WDPYGCRZZWSKRH-HSZRJFAPSA-N 1 0 391.515 3.656 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)CC1 ZINC000173907119 865227175 /nfs/dbraw/zinc/22/71/75/865227175.db2.gz OJFNNKMLDKSRJT-UHFFFAOYSA-N 1 0 383.879 3.598 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c32)CC1 ZINC000171721297 865343448 /nfs/dbraw/zinc/34/34/48/865343448.db2.gz ZDCJYWUUHLEJHN-UHFFFAOYSA-N 1 0 394.475 3.788 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000171723624 865345272 /nfs/dbraw/zinc/34/52/72/865345272.db2.gz BGVUDZIDIKUUEH-UHFFFAOYSA-N 1 0 390.487 3.821 20 30 GHEDRO CC1(C#N)CCN(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000899128060 865350740 /nfs/dbraw/zinc/35/07/40/865350740.db2.gz OIVWUKUHZUEZLL-HKBOAZHASA-N 1 0 380.536 3.622 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)[NH+]2CCCC2)o1 ZINC000594218770 865443660 /nfs/dbraw/zinc/44/36/60/865443660.db2.gz FHVPYQHCQLZBJN-FQEVSTJZSA-N 1 0 392.503 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(F)(F)CC1=C[NH2+]Nc1nc(-c2ccccc2)no1 ZINC000793004091 881871745 /nfs/dbraw/zinc/87/17/45/881871745.db2.gz GNHGCCUKBWOBBO-CYBMUJFWSA-N 1 0 393.394 3.779 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)n2)cc1 ZINC000738017565 865469937 /nfs/dbraw/zinc/46/99/37/865469937.db2.gz RIXAHHUQGRYFOV-UHFFFAOYSA-N 1 0 385.471 3.730 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)[C@@H]1c1cccs1 ZINC000594230884 865487425 /nfs/dbraw/zinc/48/74/25/865487425.db2.gz MACZFDKOYMXTBW-OXJNMPFZSA-N 1 0 380.517 3.728 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)[NH+](C)C)cc1 ZINC000594243535 865538502 /nfs/dbraw/zinc/53/85/02/865538502.db2.gz PJPNTOAUSVTNON-QFIPXVFZSA-N 1 0 392.503 3.674 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CSCc2ccc(C#N)cc2)c1 ZINC000487479470 865560139 /nfs/dbraw/zinc/56/01/39/865560139.db2.gz RGPWFOQFLRTAAG-UHFFFAOYSA-N 1 0 381.545 3.690 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594255576 865620087 /nfs/dbraw/zinc/62/00/87/865620087.db2.gz GYXBZGQPJWUSIK-WMZHIEFXSA-N 1 0 375.516 3.765 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000594255882 865622827 /nfs/dbraw/zinc/62/28/27/865622827.db2.gz OFTTZTZJQQROGE-IBGZPJMESA-N 1 0 387.527 3.786 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2cccc(C(F)(F)F)n2)CC1 ZINC000739421649 865729876 /nfs/dbraw/zinc/72/98/76/865729876.db2.gz ODFPEWIGJAMIBA-UHFFFAOYSA-N 1 0 397.832 3.952 20 30 GHEDRO COc1ccc(CNCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1C#N ZINC000174419183 865783094 /nfs/dbraw/zinc/78/30/94/865783094.db2.gz UROAXEHUVSGHLS-GOSISDBHSA-N 1 0 379.504 3.556 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000739989119 865820668 /nfs/dbraw/zinc/82/06/68/865820668.db2.gz HNKHJMIHOYAWLC-MBSDFSHPSA-N 1 0 391.515 3.937 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)s1 ZINC000740060835 865838941 /nfs/dbraw/zinc/83/89/41/865838941.db2.gz YFRBRKSVHHMTBW-ZWKOTPCHSA-N 1 0 380.517 3.713 20 30 GHEDRO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000609040674 865914429 /nfs/dbraw/zinc/91/44/29/865914429.db2.gz FBCXLGRNGUGMLQ-UHFFFAOYSA-N 1 0 391.496 3.991 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CC[NH+](CC4CC4)CC3)c2)s1 ZINC000740484022 865928772 /nfs/dbraw/zinc/92/87/72/865928772.db2.gz HIQFDVJZPWSPAJ-UHFFFAOYSA-N 1 0 380.517 3.524 20 30 GHEDRO C[C@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C[NH+]1CCCC1 ZINC000740470101 865937742 /nfs/dbraw/zinc/93/77/42/865937742.db2.gz SUDNFEXNAXYKRG-MRXNPFEDSA-N 1 0 382.533 3.818 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000740736625 865975001 /nfs/dbraw/zinc/97/50/01/865975001.db2.gz DWBRVXMBUBSEDX-UHFFFAOYSA-N 1 0 385.895 3.532 20 30 GHEDRO N#Cc1c(F)cccc1CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000428352613 865999273 /nfs/dbraw/zinc/99/92/73/865999273.db2.gz RGSOJDOYHRESAR-QGZVFWFLSA-N 1 0 395.482 3.929 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000555392351 866060734 /nfs/dbraw/zinc/06/07/34/866060734.db2.gz RNWZRGYMDULFFD-UHFFFAOYSA-N 1 0 376.909 3.553 20 30 GHEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 ZINC000303775856 866331759 /nfs/dbraw/zinc/33/17/59/866331759.db2.gz HEYCEFVWCQHHBQ-INIZCTEOSA-N 1 0 384.377 3.754 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456287263 866345074 /nfs/dbraw/zinc/34/50/74/866345074.db2.gz VYVIOKUVFURXLU-HXUWFJFHSA-N 1 0 393.487 3.913 20 30 GHEDRO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCOCC1 ZINC000620195334 866544365 /nfs/dbraw/zinc/54/43/65/866544365.db2.gz CIJXWYGIOWENGC-OAQYLSRUSA-N 1 0 382.548 3.778 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000049798127 866600943 /nfs/dbraw/zinc/60/09/43/866600943.db2.gz NJPGDYFANIRKDY-OAQYLSRUSA-N 1 0 382.483 3.922 20 30 GHEDRO C=CCN(C(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)C1CC1 ZINC000553022292 866639296 /nfs/dbraw/zinc/63/92/96/866639296.db2.gz RGEWTRGFQHOBIS-OALUTQOASA-N 1 0 385.552 3.556 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710461 866746981 /nfs/dbraw/zinc/74/69/81/866746981.db2.gz DFWHBGOKFWAMJY-IBGZPJMESA-N 1 0 382.552 3.840 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508497926 866797117 /nfs/dbraw/zinc/79/71/17/866797117.db2.gz OMLMMOAMTUIRGW-KRWDZBQOSA-N 1 0 387.959 3.876 20 30 GHEDRO c1ccc(C[N@@H+]2CCC(N=Nc3nc(-c4ccccn4)nc4c3CCC4)C2)cc1 ZINC000741809761 866805627 /nfs/dbraw/zinc/80/56/27/866805627.db2.gz MYDMKPHMDDFALB-UHFFFAOYSA-N 1 0 384.487 3.701 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(-n2cccn2)c1 ZINC000183583422 866875901 /nfs/dbraw/zinc/87/59/01/866875901.db2.gz PZIUXSQNBCIGRM-CQSZACIVSA-N 1 0 379.851 3.687 20 30 GHEDRO C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000523285540 867024110 /nfs/dbraw/zinc/02/41/10/867024110.db2.gz UGKKSVSAOABDGI-SJORKVTESA-N 1 0 381.476 3.580 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](CO)c2ccccc2)c1C#N ZINC000183650485 867029000 /nfs/dbraw/zinc/02/90/00/867029000.db2.gz VHERJBQVPZJCIS-NRFANRHFSA-N 1 0 394.519 3.744 20 30 GHEDRO C=CCn1c([C@H](C)CC)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508505319 867060323 /nfs/dbraw/zinc/06/03/23/867060323.db2.gz BYBGWYVVOBTQFE-QRVBRYPASA-N 1 0 389.588 3.693 20 30 GHEDRO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000444718604 867134629 /nfs/dbraw/zinc/13/46/29/867134629.db2.gz VYBYSCIAJCYSGS-KSSFIOAISA-N 1 0 380.330 3.632 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1OC ZINC000154089414 867243464 /nfs/dbraw/zinc/24/34/64/867243464.db2.gz XMIDPISLPWXUED-UHFFFAOYSA-N 1 0 386.536 3.988 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCC23CCC3)c1C#N ZINC000444783752 867243629 /nfs/dbraw/zinc/24/36/29/867243629.db2.gz TZGHYXDWGRTOHK-UHFFFAOYSA-N 1 0 376.504 3.982 20 30 GHEDRO C#CCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000742383318 867250666 /nfs/dbraw/zinc/25/06/66/867250666.db2.gz ZLZNOPVOZXASCE-UHFFFAOYSA-N 1 0 386.879 3.869 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N=Nc3nc4cc(F)c(F)cc4[nH]3)CC2)cc1 ZINC000920375471 882071329 /nfs/dbraw/zinc/07/13/29/882071329.db2.gz KWRZCYMFMWVLSA-UHFFFAOYSA-N 1 0 380.402 3.777 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000523450125 867335455 /nfs/dbraw/zinc/33/54/55/867335455.db2.gz IVALUHATFZJFEL-QZTJIDSGSA-N 1 0 395.478 3.959 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000553401413 867352174 /nfs/dbraw/zinc/35/21/74/867352174.db2.gz LWOCZOKAXGPDQG-UHFFFAOYSA-N 1 0 381.476 3.678 20 30 GHEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C#N)c(C)c1C ZINC000534753049 867375574 /nfs/dbraw/zinc/37/55/74/867375574.db2.gz ZFHCGSXQOUICOY-FPOVZHCZSA-N 1 0 394.544 3.532 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1OC ZINC000623498942 867556258 /nfs/dbraw/zinc/55/62/58/867556258.db2.gz NHLRSKJWRSCSHH-LPHOPBHVSA-N 1 0 391.899 3.657 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183756048 867697525 /nfs/dbraw/zinc/69/75/25/867697525.db2.gz UKBFSEXOJCUYRA-IBGZPJMESA-N 1 0 382.533 3.545 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000743152521 867880583 /nfs/dbraw/zinc/88/05/83/867880583.db2.gz YBYXEBMOHPXTFG-JXFKEZNVSA-N 1 0 383.517 3.965 20 30 GHEDRO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000763635057 867899757 /nfs/dbraw/zinc/89/97/57/867899757.db2.gz FCLOCRXTYVSLQK-XMSQKQJNSA-N 1 0 383.536 3.749 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2cc(C[NH2+]C[C@H](O)CC(C)(C)C#N)ccc21 ZINC000857235867 882132805 /nfs/dbraw/zinc/13/28/05/882132805.db2.gz BLPSYBOIPVHHEC-GOSISDBHSA-N 1 0 387.524 3.765 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000553682521 867928705 /nfs/dbraw/zinc/92/87/05/867928705.db2.gz IYEITRJJZAPMQV-DENIHFKCSA-N 1 0 393.531 3.961 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CC2)c1 ZINC000479510356 867931435 /nfs/dbraw/zinc/93/14/35/867931435.db2.gz DBJKDFWJEHTXCK-UHFFFAOYSA-N 1 0 399.498 3.769 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000743196579 867944381 /nfs/dbraw/zinc/94/43/81/867944381.db2.gz RJPVVOGTECEQKJ-QZTJIDSGSA-N 1 0 387.499 3.956 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000743198762 867947060 /nfs/dbraw/zinc/94/70/60/867947060.db2.gz YUYLOJISAAPERS-VQIMIIECSA-N 1 0 381.451 3.795 20 30 GHEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000163244287 868100922 /nfs/dbraw/zinc/10/09/22/868100922.db2.gz MGLUYOVSDHCWMR-RTBURBONSA-N 1 0 377.916 3.521 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H](C[NH+](CC)CC)C2)c1=S ZINC000743388636 868142129 /nfs/dbraw/zinc/14/21/29/868142129.db2.gz VAJOKEWACKUVBN-FQEVSTJZSA-N 1 0 399.608 3.812 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@@H]([NH+](CC)CC)C2)c1=S ZINC000743395916 868157674 /nfs/dbraw/zinc/15/76/74/868157674.db2.gz ZNVDRWVBNJRNDX-GOSISDBHSA-N 1 0 389.544 3.780 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000155951502 868195868 /nfs/dbraw/zinc/19/58/68/868195868.db2.gz PJNYNQZWYDGFFQ-LEWJYISDSA-N 1 0 377.573 3.532 20 30 GHEDRO CCOc1ccc(C=Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)c(O)c1 ZINC000743501855 868227480 /nfs/dbraw/zinc/22/74/80/868227480.db2.gz SAQUOTRPRLDNTD-UHFFFAOYSA-N 1 0 383.492 3.692 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 ZINC000743491050 868236109 /nfs/dbraw/zinc/23/61/09/868236109.db2.gz BGIUZXITNMWIQQ-UHFFFAOYSA-N 1 0 384.426 3.975 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1 ZINC000743491299 868236261 /nfs/dbraw/zinc/23/62/61/868236261.db2.gz DTJURXXBACVSCK-UHFFFAOYSA-N 1 0 398.510 3.757 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000523953898 868326690 /nfs/dbraw/zinc/32/66/90/868326690.db2.gz GRJBEOWXCOEFBX-UHFFFAOYSA-N 1 0 394.862 3.722 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1nc2ccccc2s1 ZINC000744098508 868594336 /nfs/dbraw/zinc/59/43/36/868594336.db2.gz QKYMBPBHGNNIPL-KHPPLWFESA-N 1 0 390.512 3.772 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)o2)cc1 ZINC000524129726 868605071 /nfs/dbraw/zinc/60/50/71/868605071.db2.gz JLGUMQOVKMQXCT-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000163264380 868654900 /nfs/dbraw/zinc/65/49/00/868654900.db2.gz ICEHMPCGSUKUMZ-UHFFFAOYSA-N 1 0 384.867 3.828 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1Cl ZINC000744256551 868703815 /nfs/dbraw/zinc/70/38/15/868703815.db2.gz KYYAPCRJOQVXKS-UHFFFAOYSA-N 1 0 395.956 3.535 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000744398372 868794376 /nfs/dbraw/zinc/79/43/76/868794376.db2.gz PQHGNFNDIHWDKP-UHFFFAOYSA-N 1 0 375.428 3.888 20 30 GHEDRO CCc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)cc1 ZINC000744446115 868848071 /nfs/dbraw/zinc/84/80/71/868848071.db2.gz PBBICMJXMUREJX-UHFFFAOYSA-N 1 0 380.492 3.515 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccsc1 ZINC000524435407 869052722 /nfs/dbraw/zinc/05/27/22/869052722.db2.gz SBSWWZIVTKPHAK-CQSZACIVSA-N 1 0 380.420 3.646 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508850377 869069649 /nfs/dbraw/zinc/06/96/49/869069649.db2.gz UUVPUOZVFIXUAF-LAUBAEHRSA-N 1 0 385.508 3.551 20 30 GHEDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000524457088 869077967 /nfs/dbraw/zinc/07/79/67/869077967.db2.gz HGVRUKJYYJOSMJ-UGKGYDQZSA-N 1 0 391.515 3.874 20 30 GHEDRO CC(C)[NH+](CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(C)C ZINC000524521110 869220301 /nfs/dbraw/zinc/22/03/01/869220301.db2.gz RPXOIGRRLSJVOL-UHFFFAOYSA-N 1 0 379.504 3.986 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[N@@H+]1C1CC1 ZINC000440918350 869265459 /nfs/dbraw/zinc/26/54/59/869265459.db2.gz AVCXCXHFUXWWHY-HOCLYGCPSA-N 1 0 379.435 3.845 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428788808 869349892 /nfs/dbraw/zinc/34/98/92/869349892.db2.gz SGNWYYGGBKTDEK-IBGZPJMESA-N 1 0 379.460 3.562 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cncc2ccccc21 ZINC000462489645 869543934 /nfs/dbraw/zinc/54/39/34/869543934.db2.gz YSEVZXNOJYRBSU-UHFFFAOYSA-N 1 0 386.499 3.629 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3c(C#N)nnc4ccccc43)cc2)C[C@H](C)O1 ZINC000524856607 869654212 /nfs/dbraw/zinc/65/42/12/869654212.db2.gz XNQPXGCKDRUVTG-CALCHBBNSA-N 1 0 387.487 3.723 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@H]1C ZINC000524880863 869726037 /nfs/dbraw/zinc/72/60/37/869726037.db2.gz LJXIFGJDUPRBJG-VQIMIIECSA-N 1 0 378.476 3.690 20 30 GHEDRO CCN(CC1CC[NH+](CCOc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000745946535 869899223 /nfs/dbraw/zinc/89/92/23/869899223.db2.gz UUSMIQHBLMUILO-UHFFFAOYSA-N 1 0 387.524 3.906 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000092453496 882363004 /nfs/dbraw/zinc/36/30/04/882363004.db2.gz BSFCSZZHLRUWCA-QGZVFWFLSA-N 1 0 397.906 3.979 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000525123987 870024750 /nfs/dbraw/zinc/02/47/50/870024750.db2.gz GVYLLSKEUCBINB-TZIWHRDSSA-N 1 0 391.515 3.895 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000746198708 870105681 /nfs/dbraw/zinc/10/56/81/870105681.db2.gz YRDOQMPLBVSHBG-WAEYIKQSSA-N 1 0 386.536 3.757 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000092534540 882384662 /nfs/dbraw/zinc/38/46/62/882384662.db2.gz GCJQLAWKHQXSLM-FQEVSTJZSA-N 1 0 391.515 3.645 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121678690 870320274 /nfs/dbraw/zinc/32/02/74/870320274.db2.gz PIMARXKLJDLEKD-MRXNPFEDSA-N 1 0 382.426 3.971 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(OC)C2CC2)cc1OC ZINC000462914326 870380311 /nfs/dbraw/zinc/38/03/11/870380311.db2.gz XJWXRDCWWWKONI-GOSISDBHSA-N 1 0 384.314 3.927 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CC=C)[C@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000538732168 870463295 /nfs/dbraw/zinc/46/32/95/870463295.db2.gz PGYSEXCTCSHEHN-GOSISDBHSA-N 1 0 375.476 3.976 20 30 GHEDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC001192636152 870582284 /nfs/dbraw/zinc/58/22/84/870582284.db2.gz UGXMXYYXBLJZPL-QGZVFWFLSA-N 1 0 384.549 3.978 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC001192673713 870592109 /nfs/dbraw/zinc/59/21/09/870592109.db2.gz RBLYVGDRGUHLAU-UHFFFAOYSA-N 1 0 384.277 3.928 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000525387430 870619827 /nfs/dbraw/zinc/61/98/27/870619827.db2.gz AXGDDEDDJSDQJH-WIYYLYMNSA-N 1 0 397.544 3.713 20 30 GHEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000248919305 870693321 /nfs/dbraw/zinc/69/33/21/870693321.db2.gz KMISVDDTJJPFBJ-DLBZAZTESA-N 1 0 398.341 3.766 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461732956 870818630 /nfs/dbraw/zinc/81/86/30/870818630.db2.gz WTNFZLLZOZXBQB-LJQANCHMSA-N 1 0 381.520 3.913 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168831611 870887551 /nfs/dbraw/zinc/88/75/51/870887551.db2.gz WNWJNXONXDWXKE-DYESRHJHSA-N 1 0 398.551 3.510 20 30 GHEDRO N#Cc1ccc(OCC[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000538953469 870965244 /nfs/dbraw/zinc/96/52/44/870965244.db2.gz JEBRBOVGWFURLN-KRWDZBQOSA-N 1 0 377.366 3.504 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000766561330 871104484 /nfs/dbraw/zinc/10/44/84/871104484.db2.gz ZFJCTPGZMPTXQW-GHTZIAJQSA-N 1 0 394.515 3.641 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)ccc1OCC(C)C ZINC000540368105 871128499 /nfs/dbraw/zinc/12/84/99/871128499.db2.gz MVWDOEAEYQRWHI-KRWDZBQOSA-N 1 0 395.503 3.569 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c1 ZINC001193505998 871148787 /nfs/dbraw/zinc/14/87/87/871148787.db2.gz DTTLNHDKFKGMAE-IBGZPJMESA-N 1 0 387.487 3.649 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)c(C#N)c1C ZINC000181578862 871202941 /nfs/dbraw/zinc/20/29/41/871202941.db2.gz ZRNCSPNQSAMQGY-ZDUSSCGKSA-N 1 0 385.439 3.985 20 30 GHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000463237896 871232992 /nfs/dbraw/zinc/23/29/92/871232992.db2.gz QTJRIHNHDPSLQG-VQIMIIECSA-N 1 0 387.480 3.798 20 30 GHEDRO CC1(C)C[C@@H](Nc2nc3cc(C#N)c(C#N)cc3nc2Cl)C[C@@](C)(C[NH3+])C1 ZINC001169147111 871258470 /nfs/dbraw/zinc/25/84/70/871258470.db2.gz SLOUPKKAXHIKHW-JLTOFOAXSA-N 1 0 382.899 3.982 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](C1CCC(OC(=O)c3ccccc3)CC1)CC2 ZINC001169297313 871391313 /nfs/dbraw/zinc/39/13/13/871391313.db2.gz JJVRIDDDSYZKEW-UHFFFAOYSA-N 1 0 396.531 3.798 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(CO)c2)cc1 ZINC000041465974 871435139 /nfs/dbraw/zinc/43/51/39/871435139.db2.gz USNNEBNYQZKXNX-UHFFFAOYSA-O 1 0 395.479 3.965 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NCc2ccccc2)cc1 ZINC000041466135 871446470 /nfs/dbraw/zinc/44/64/70/871446470.db2.gz ZNDPAGCYXDXSHW-UHFFFAOYSA-O 1 0 390.532 3.769 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)ccc1OC(C)C ZINC000539251877 871557901 /nfs/dbraw/zinc/55/79/01/871557901.db2.gz DDOQUTPBOWSARZ-KRWDZBQOSA-N 1 0 387.524 3.818 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000525859106 871589221 /nfs/dbraw/zinc/58/92/21/871589221.db2.gz YVUQUWLTDDAQBA-BSFYPJFYSA-N 1 0 378.476 3.952 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000525858851 871589378 /nfs/dbraw/zinc/58/93/78/871589378.db2.gz RQTIBQNUTDYENN-MHJFOBGBSA-N 1 0 391.450 3.885 20 30 GHEDRO N#CC1(c2ccnc(-n3cc(CC[NH3+])c4ccc(OC(F)(F)F)cc43)c2)CC1 ZINC001169609246 871670858 /nfs/dbraw/zinc/67/08/58/871670858.db2.gz RPHSQJLNOFHVGF-UHFFFAOYSA-N 1 0 386.377 3.980 20 30 GHEDRO N#CCc1cccc(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000455920835 871699355 /nfs/dbraw/zinc/69/93/55/871699355.db2.gz OADITLQMRISIIL-UHFFFAOYSA-N 1 0 378.476 3.549 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCC2 ZINC001194446988 871728049 /nfs/dbraw/zinc/72/80/49/871728049.db2.gz SYGWCBOPWZNPHS-ZWKOTPCHSA-N 1 0 387.549 3.764 20 30 GHEDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001169771816 871860792 /nfs/dbraw/zinc/86/07/92/871860792.db2.gz POVVKOYOIGKBOS-IBGZPJMESA-N 1 0 383.410 3.848 20 30 GHEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000794027343 882557550 /nfs/dbraw/zinc/55/75/50/882557550.db2.gz YDVVSGRZGGSVPX-YADHBBJMSA-N 1 0 394.519 3.556 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000447591077 871900948 /nfs/dbraw/zinc/90/09/48/871900948.db2.gz GVWDLBKPAZZWOX-HNNXBMFYSA-N 1 0 391.231 3.811 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(CCC)cc1 ZINC000022687612 871908040 /nfs/dbraw/zinc/90/80/40/871908040.db2.gz KTVXXNJAEIXFIF-UHFFFAOYSA-O 1 0 375.464 3.919 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(CCC)cc1 ZINC000022687512 871908199 /nfs/dbraw/zinc/90/81/99/871908199.db2.gz TYHKIDJBBYEXKK-UHFFFAOYSA-O 1 0 375.464 3.919 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1-n1ccnn1 ZINC000552042517 871923049 /nfs/dbraw/zinc/92/30/49/871923049.db2.gz KTGRDSKCWKOVTF-FUHWJXTLSA-N 1 0 390.466 3.598 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618797034 872005998 /nfs/dbraw/zinc/00/59/98/872005998.db2.gz ZXDMGUDACQTESU-JOCHJYFZSA-N 1 0 376.504 3.887 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618797018 872006222 /nfs/dbraw/zinc/00/62/22/872006222.db2.gz XJWWKAHWXWTTNY-QFIPXVFZSA-N 1 0 376.504 3.887 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+]2CCCC2)cc1 ZINC000618809369 872016042 /nfs/dbraw/zinc/01/60/42/872016042.db2.gz IPJSPOPEVRJALX-XZOQPEGZSA-N 1 0 388.515 3.990 20 30 GHEDRO CCCCCCCCCOC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001194911202 872027567 /nfs/dbraw/zinc/02/75/67/872027567.db2.gz JIELCIYDSZVSJT-AABGKKOBSA-N 1 0 391.560 3.560 20 30 GHEDRO CN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000618840860 872051638 /nfs/dbraw/zinc/05/16/38/872051638.db2.gz MGXGIRUOAWOISR-FYYLOGMGSA-N 1 0 388.515 3.852 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2)C(=S)NCC(F)(F)F)cc1 ZINC000101535092 872072318 /nfs/dbraw/zinc/07/23/18/872072318.db2.gz BIQDTGWQMVGEID-UHFFFAOYSA-O 1 0 397.442 3.636 20 30 GHEDRO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000526136121 872166723 /nfs/dbraw/zinc/16/67/23/872166723.db2.gz LODRCGIARUTLNQ-GMAHTHKFSA-N 1 0 389.499 3.788 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCO1 ZINC000182305988 872168367 /nfs/dbraw/zinc/16/83/67/872168367.db2.gz FYFFKKGCTWUVNJ-SJORKVTESA-N 1 0 375.538 3.764 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000477966552 872228789 /nfs/dbraw/zinc/22/87/89/872228789.db2.gz OTUNJSWAQRTYRK-PKTZIBPZSA-N 1 0 390.531 3.968 20 30 GHEDRO CCc1ccc([C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000552255409 872305746 /nfs/dbraw/zinc/30/57/46/872305746.db2.gz FGHVNMAYCLRODN-DEOSSOPVSA-N 1 0 376.548 3.982 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2C[C@@H](C)O)ccc1Cl ZINC000447830970 872361209 /nfs/dbraw/zinc/36/12/09/872361209.db2.gz LVYACRDWHCQNOL-SJORKVTESA-N 1 0 377.916 3.521 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(CCc3ccc(F)cc3F)CC2)cc1 ZINC001195630500 872519854 /nfs/dbraw/zinc/51/98/54/872519854.db2.gz GGDUUAAFDCXPOZ-UHFFFAOYSA-N 1 0 397.469 3.797 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(C#N)c(F)c1 ZINC000527040234 872520751 /nfs/dbraw/zinc/52/07/51/872520751.db2.gz GTCCQDKIQDEZMM-RNODOKPDSA-N 1 0 387.405 3.817 20 30 GHEDRO Cn1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(-c2ccccc2)n1 ZINC000527074215 872608324 /nfs/dbraw/zinc/60/83/24/872608324.db2.gz KNSGHEHRFMZDDI-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)oc21 ZINC000182657096 872633130 /nfs/dbraw/zinc/63/31/30/872633130.db2.gz XMKZBTOCOVRTPE-CRAIPNDOSA-N 1 0 380.444 3.794 20 30 GHEDRO N#CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000541038039 872779830 /nfs/dbraw/zinc/77/98/30/872779830.db2.gz OXRCHCGSVWUXBD-GOSISDBHSA-N 1 0 394.441 3.615 20 30 GHEDRO Cc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000794208202 882653305 /nfs/dbraw/zinc/65/33/05/882653305.db2.gz DQRSYNFOPVDBNS-UHFFFAOYSA-N 1 0 376.504 3.713 20 30 GHEDRO CC(C)CN(CCC#N)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000767759728 872816950 /nfs/dbraw/zinc/81/69/50/872816950.db2.gz IHNYNVKTTMWWRI-UHFFFAOYSA-N 1 0 380.536 3.806 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC1CCC(C#N)CC1 ZINC000619660298 872833691 /nfs/dbraw/zinc/83/36/91/872833691.db2.gz FUUSRTSTFHNTOK-HDYDNRTBSA-N 1 0 383.536 4.000 20 30 GHEDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085599 872890385 /nfs/dbraw/zinc/89/03/85/872890385.db2.gz DPKKUXJZGSHMDX-INIZCTEOSA-N 1 0 388.427 3.646 20 30 GHEDRO Cc1cc(F)cc([C@]2(F)CCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723806 872922099 /nfs/dbraw/zinc/92/20/99/872922099.db2.gz ZGROYAMILHXZTF-IRLDBZIGSA-N 1 0 386.442 3.511 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877475 872931813 /nfs/dbraw/zinc/93/18/13/872931813.db2.gz PNLHNTMZMCYDMK-SIXWZSSISA-N 1 0 381.442 3.938 20 30 GHEDRO Cc1cc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)[nH]n1 ZINC000541112794 872972632 /nfs/dbraw/zinc/97/26/32/872972632.db2.gz ZYGYUBQKGOEGRV-LJQANCHMSA-N 1 0 393.535 3.850 20 30 GHEDRO OC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000527299178 872975577 /nfs/dbraw/zinc/97/55/77/872975577.db2.gz JOIDWIRZYABGIK-LLVKDONJSA-N 1 0 381.263 3.543 20 30 GHEDRO CC(C)(C)[C@H]([NH2+]CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000102390009 872989694 /nfs/dbraw/zinc/98/96/94/872989694.db2.gz FIBWMQATONJCDG-OAQYLSRUSA-N 1 0 390.487 3.657 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000183024582 873128115 /nfs/dbraw/zinc/12/81/15/873128115.db2.gz FZVKUTUKJVJUDK-LJQANCHMSA-N 1 0 387.405 3.858 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000153087365 873183185 /nfs/dbraw/zinc/18/31/85/873183185.db2.gz ZEJAANBFHPZFAK-KYJSFNMBSA-N 1 0 381.442 3.939 20 30 GHEDRO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001196537531 873190744 /nfs/dbraw/zinc/19/07/44/873190744.db2.gz ZKNURVSTPQOWAO-SFHVURJKSA-N 1 0 396.510 3.841 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001196606751 873227144 /nfs/dbraw/zinc/22/71/44/873227144.db2.gz WPSXQLFPDQXKPF-SZPZYZBQSA-N 1 0 385.508 3.646 20 30 GHEDRO CC(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccc3C#N)CC2)cc1 ZINC001196581306 873239676 /nfs/dbraw/zinc/23/96/76/873239676.db2.gz XCLLIBFRVRGILJ-UHFFFAOYSA-N 1 0 392.528 3.712 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](C3CC(C)(C)N(O)C(C)(C)C3)CC2)C1 ZINC001169992970 873341272 /nfs/dbraw/zinc/34/12/72/873341272.db2.gz PLFRKSVXMWAIPS-UHFFFAOYSA-N 1 0 393.572 3.898 20 30 GHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000494629870 882712522 /nfs/dbraw/zinc/71/25/22/882712522.db2.gz IETDUDOFZUIKBB-CZUORRHYSA-N 1 0 389.546 3.570 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000768553448 873382637 /nfs/dbraw/zinc/38/26/37/873382637.db2.gz AHOHNXHTSCAVIX-UXHICEINSA-N 1 0 397.482 3.800 20 30 GHEDRO COC(=O)[C@H](N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)c1ccc(C#N)cc1 ZINC000768804285 873563463 /nfs/dbraw/zinc/56/34/63/873563463.db2.gz CKYXBHVSBNBAQP-FCHUYYIVSA-N 1 0 379.504 3.519 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)c1)O[C@H](C)C2 ZINC000527811942 873599774 /nfs/dbraw/zinc/59/97/74/873599774.db2.gz OEWJZXOJCJBHJG-MRXNPFEDSA-N 1 0 378.472 3.686 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)cc2)nc1 ZINC000464355393 873700308 /nfs/dbraw/zinc/70/03/08/873700308.db2.gz MIERFUDXQZBJBN-FQEVSTJZSA-N 1 0 390.487 3.740 20 30 GHEDRO CCc1cc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)ccc1C#N ZINC001197292480 873717967 /nfs/dbraw/zinc/71/79/67/873717967.db2.gz KZMXVZRAZMCYCW-UHFFFAOYSA-N 1 0 380.467 3.654 20 30 GHEDRO Cc1noc(C(C)C)c1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001197363094 873738307 /nfs/dbraw/zinc/73/83/07/873738307.db2.gz XDBXSCRKDLPHCV-WGSAOQKQSA-N 1 0 380.492 3.890 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508890020 882759726 /nfs/dbraw/zinc/75/97/26/882759726.db2.gz VHYBSBSSGKXCNJ-UHFFFAOYSA-N 1 0 385.943 3.773 20 30 GHEDRO CCc1cc(NC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc(CC)c1C#N ZINC001197617712 873915388 /nfs/dbraw/zinc/91/53/88/873915388.db2.gz JFERDWFZCIBWJF-OAQYLSRUSA-N 1 0 377.488 3.502 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@H]3CN(C(=S)Nc4cccc(C#N)c4)C[C@@H]3C2)cc1 ZINC001197688717 873983731 /nfs/dbraw/zinc/98/37/31/873983731.db2.gz OAEGUOUEHJKPDF-PMACEKPBSA-N 1 0 376.529 3.627 20 30 GHEDRO C#C[C@@H]([NH2+]CCCC(=O)Nc1c(CC)ccc(Cl)c1CC)[C@H]1CCCO1 ZINC000775796142 874112009 /nfs/dbraw/zinc/11/20/09/874112009.db2.gz TYKDCBTVEMVKBL-RTBURBONSA-N 1 0 376.928 3.954 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)cc1 ZINC000769537517 874142657 /nfs/dbraw/zinc/14/26/57/874142657.db2.gz LMQLGURCCLYYTD-UHFFFAOYSA-N 1 0 395.499 3.715 20 30 GHEDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000769542483 874146805 /nfs/dbraw/zinc/14/68/05/874146805.db2.gz JPLLSOPFPRRFDQ-SFHVURJKSA-N 1 0 395.503 3.707 20 30 GHEDRO Cc1cc(C#N)c(F)cc1NC(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1 ZINC001198031744 874189528 /nfs/dbraw/zinc/18/95/28/874189528.db2.gz ZDIAJLJVOVWCJR-UHFFFAOYSA-N 1 0 382.483 3.642 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Cl)c(C)cc2Br)CC1 ZINC000804396980 882810900 /nfs/dbraw/zinc/81/09/00/882810900.db2.gz RDHAPDPGTSPQMK-UHFFFAOYSA-N 1 0 383.717 3.628 20 30 GHEDRO N#Cc1cccc(OCC[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC000769829347 874312606 /nfs/dbraw/zinc/31/26/06/874312606.db2.gz NKUQHJKYLMHLLL-UHFFFAOYSA-N 1 0 390.405 3.939 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541881970 874461680 /nfs/dbraw/zinc/46/16/80/874461680.db2.gz APOVQUDDZDGDBU-QRWLVFNGSA-N 1 0 378.432 3.621 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CCN(C(=O)OCC)CC2)cc1OC ZINC000858093162 882837376 /nfs/dbraw/zinc/83/73/76/882837376.db2.gz UCHCWTJARJNQGS-UHFFFAOYSA-N 1 0 382.888 3.624 20 30 GHEDRO C=CCn1c(C)cc(C(=O)CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000464834131 874567047 /nfs/dbraw/zinc/56/70/47/874567047.db2.gz RPZOAFONECHMLN-JOCHJYFZSA-N 1 0 379.548 3.928 20 30 GHEDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000509460631 874616879 /nfs/dbraw/zinc/61/68/79/874616879.db2.gz AOLXZOMMQPKGKO-MSOLQXFVSA-N 1 0 379.504 3.670 20 30 GHEDRO Cc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541983721 874703293 /nfs/dbraw/zinc/70/32/93/874703293.db2.gz RJABJOSKLZQXQX-IBGZPJMESA-N 1 0 397.544 3.849 20 30 GHEDRO C#CCCOc1ccc(CNc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000770490638 874732479 /nfs/dbraw/zinc/73/24/79/874732479.db2.gz WKFUYMIQTNHERM-UHFFFAOYSA-N 1 0 377.532 3.838 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 ZINC000770805617 874877084 /nfs/dbraw/zinc/87/70/84/874877084.db2.gz LKFLYQCAPYEFHH-QGZVFWFLSA-N 1 0 387.524 3.806 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1cccc(OC)c1 ZINC000153065645 874971358 /nfs/dbraw/zinc/97/13/58/874971358.db2.gz JDKHWCQFBGDBCY-IBGZPJMESA-N 1 0 387.430 3.658 20 30 GHEDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000449523478 874997640 /nfs/dbraw/zinc/99/76/40/874997640.db2.gz YVHBTDAAWLAMIM-KRWDZBQOSA-N 1 0 391.581 3.535 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1C#N ZINC000528758531 875020749 /nfs/dbraw/zinc/02/07/49/875020749.db2.gz QEKJWTOICKFZKP-FKRHRZSBSA-N 1 0 386.540 3.822 20 30 GHEDRO C[NH2+]C1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCC1 ZINC001199535139 875039984 /nfs/dbraw/zinc/03/99/84/875039984.db2.gz MKWCWWHQFMVWPH-UHFFFAOYSA-N 1 0 380.448 3.623 20 30 GHEDRO N#CC(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)(c1ccccc1)c1ccccc1 ZINC000528780155 875052075 /nfs/dbraw/zinc/05/20/75/875052075.db2.gz BVRZSWRQWQVKME-VHSZZVNMSA-N 1 0 378.541 3.872 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cc(=O)[nH]c(-c4ccccc4)n3)CCOCC2)cc1 ZINC000528786070 875059102 /nfs/dbraw/zinc/05/91/02/875059102.db2.gz VEUZBVYKAQQQLP-UHFFFAOYSA-N 1 0 386.455 3.516 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000449643289 875166468 /nfs/dbraw/zinc/16/64/68/875166468.db2.gz ADBSYPQQYLODOK-QZTJIDSGSA-N 1 0 377.488 3.825 20 30 GHEDRO C=CCSc1ncccc1C(=O)n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001199736148 875179844 /nfs/dbraw/zinc/17/98/44/875179844.db2.gz YLIDHQJBBYRXLH-UHFFFAOYSA-N 1 0 380.448 3.717 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1n1cccn1 ZINC000449655247 875189491 /nfs/dbraw/zinc/18/94/91/875189491.db2.gz GXLJQOXLQPXBJM-VSKRKVRLSA-N 1 0 393.535 3.510 20 30 GHEDRO Cc1c(Cl)cnc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000542278986 875289412 /nfs/dbraw/zinc/28/94/12/875289412.db2.gz ANQKQIFCVCNDAL-UHFFFAOYSA-N 1 0 398.938 3.820 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604378 875345958 /nfs/dbraw/zinc/34/59/58/875345958.db2.gz KAYBOKGKPAAPJP-UHFFFAOYSA-N 1 0 382.261 3.725 20 30 GHEDRO C=CCOc1cccc(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001200999735 875455694 /nfs/dbraw/zinc/45/56/94/875455694.db2.gz ZOIZXFFMBHQTTG-UHFFFAOYSA-N 1 0 385.939 3.817 20 30 GHEDRO CC1CC[NH+](CCCNC(=S)Nc2ccc(C#N)cc2Br)CC1 ZINC001201131221 875540727 /nfs/dbraw/zinc/54/07/27/875540727.db2.gz ZHOYOYNSDVZFDD-UHFFFAOYSA-N 1 0 395.370 3.729 20 30 GHEDRO C=CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)CC1CCCCC1 ZINC000303469611 875670506 /nfs/dbraw/zinc/67/05/06/875670506.db2.gz QEEQQOKASFMUSI-UHFFFAOYSA-N 1 0 391.943 3.805 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc4c(c3)OC(F)(F)O4)CC2)nc1 ZINC001201449373 875710715 /nfs/dbraw/zinc/71/07/15/875710715.db2.gz BNHWACGVNGOSJY-UHFFFAOYSA-N 1 0 387.386 3.755 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2Cc3ccccc3C2)c1=S ZINC000106063219 875746301 /nfs/dbraw/zinc/74/63/01/875746301.db2.gz AKEUQTATMXYINX-UHFFFAOYSA-N 1 0 383.565 3.602 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000151711772 875828871 /nfs/dbraw/zinc/82/88/71/875828871.db2.gz FJLYIRVDKQDSPT-CTNGQTDRSA-N 1 0 395.503 3.731 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000065473410 875891375 /nfs/dbraw/zinc/89/13/75/875891375.db2.gz DBISJHLLOIABED-LJQANCHMSA-N 1 0 380.492 3.640 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@H]2OC[C@@H](C(=O)Nc3cnccn3)C[C@H]2C1 ZINC001201839576 875899675 /nfs/dbraw/zinc/89/96/75/875899675.db2.gz NIPXRIMNGXABSP-SLFFLAALSA-N 1 0 388.556 3.893 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@]2(C1)NC(=O)N(Cc1ccc(OC)cc1)C2=O ZINC001201840395 875899805 /nfs/dbraw/zinc/89/98/05/875899805.db2.gz WABYNSUCAZQTDA-JOCHJYFZSA-N 1 0 387.524 3.552 20 30 GHEDRO CCCCCCCCC[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001201847509 875902033 /nfs/dbraw/zinc/90/20/33/875902033.db2.gz WPGQXPLIOALXNV-UHFFFAOYSA-N 1 0 388.556 3.534 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC001202102429 876003673 /nfs/dbraw/zinc/00/36/73/876003673.db2.gz PWBOGGZJJHQSFP-HXUWFJFHSA-N 1 0 388.305 3.849 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000529367637 876043370 /nfs/dbraw/zinc/04/33/70/876043370.db2.gz RTTZRGNTMVNAMP-OAQYLSRUSA-N 1 0 392.478 3.694 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000151895678 876062632 /nfs/dbraw/zinc/06/26/32/876062632.db2.gz MEKWCONZFKZBOY-AEFFLSMTSA-N 1 0 387.867 3.721 20 30 GHEDRO COc1ccccc1[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000450267674 876190394 /nfs/dbraw/zinc/19/03/94/876190394.db2.gz XIYXUUADXOJWFQ-GOSISDBHSA-N 1 0 381.436 3.509 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1c2c(nn1C)CCCC2)c1ccc(Cl)cc1Cl ZINC000262661811 876274248 /nfs/dbraw/zinc/27/42/48/876274248.db2.gz LYLZKEKTRAXAJG-NSHDSACASA-N 1 0 380.323 3.771 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2Cn2cccn2)c(-c2ccccc2)n1 ZINC000120881073 876326214 /nfs/dbraw/zinc/32/62/14/876326214.db2.gz RQTLWUZELNGRTG-UHFFFAOYSA-N 1 0 396.498 3.998 20 30 GHEDRO COc1ccc(O)c(/C=N/CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176414004 876346151 /nfs/dbraw/zinc/34/61/51/876346151.db2.gz GLQTYYWPMFYAQD-JJIBRWJFSA-N 1 0 382.504 3.891 20 30 GHEDRO Cc1cc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccc1C#N ZINC000443904394 876632420 /nfs/dbraw/zinc/63/24/20/876632420.db2.gz UNWURRVQGJRATM-SFHVURJKSA-N 1 0 389.565 3.532 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772685416 876708429 /nfs/dbraw/zinc/70/84/29/876708429.db2.gz NUDWPJQNMZZJHD-UHFFFAOYSA-N 1 0 393.443 3.912 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1OC ZINC000850715490 877120633 /nfs/dbraw/zinc/12/06/33/877120633.db2.gz JDCDTYODKDJUFZ-FRBHRHKVSA-N 1 0 384.520 3.654 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 ZINC000858443380 883100378 /nfs/dbraw/zinc/10/03/78/883100378.db2.gz JTRWAOJJNSEXSW-UHFFFAOYSA-N 1 0 375.516 3.879 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000174776753 877240735 /nfs/dbraw/zinc/24/07/35/877240735.db2.gz XYILYAXCIOCHKS-UHFFFAOYSA-N 1 0 383.536 3.726 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cccc(OC)c1C#N)[C@H](C)Cc1ccc(O)cc1 ZINC001183048770 912220110 /nfs/dbraw/zinc/22/01/10/912220110.db2.gz AXVQXJCHEIKMQU-QGZVFWFLSA-N 1 0 395.503 3.944 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@H]1c1ccccc1 ZINC000746674056 877325506 /nfs/dbraw/zinc/32/55/06/877325506.db2.gz MRRMISWDGIVCOO-UYAOXDASSA-N 1 0 386.499 3.936 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC3(CCC(O)CC3)CC2)c1C ZINC000451143397 877418949 /nfs/dbraw/zinc/41/89/49/877418949.db2.gz FQKATEXGFDMHMH-UHFFFAOYSA-N 1 0 383.536 3.567 20 30 GHEDRO C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610162421 877467639 /nfs/dbraw/zinc/46/76/39/877467639.db2.gz ASTQAHJAJQMKSJ-QRWLVFNGSA-N 1 0 393.878 3.766 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(OC)c(C#N)c1)c1ccsc1 ZINC000746704770 877523468 /nfs/dbraw/zinc/52/34/68/877523468.db2.gz INUUNVNWOSUTGX-GOSISDBHSA-N 1 0 386.521 3.511 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1OC ZINC000282148725 877546858 /nfs/dbraw/zinc/54/68/58/877546858.db2.gz AJNVIECJEQYVAG-LJQANCHMSA-N 1 0 381.476 3.656 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000642649066 912248040 /nfs/dbraw/zinc/24/80/40/912248040.db2.gz LZWPLAOGYLTCNA-OAQYLSRUSA-N 1 0 381.907 3.828 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000530357521 877624453 /nfs/dbraw/zinc/62/44/53/877624453.db2.gz DMHOCCKZKGTJCB-NQIIRXRSSA-N 1 0 378.476 3.912 20 30 GHEDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000451249285 877661786 /nfs/dbraw/zinc/66/17/86/877661786.db2.gz BPNSPLQAXLFUDY-XLIONFOSSA-N 1 0 386.540 3.513 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2(c3ccccc3)CC2)c1C#N ZINC000477462674 877669189 /nfs/dbraw/zinc/66/91/89/877669189.db2.gz FSNFXZGRJIGZHO-UHFFFAOYSA-N 1 0 388.471 3.835 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451290543 877729812 /nfs/dbraw/zinc/72/98/12/877729812.db2.gz ZIKBNTCJVQMSHZ-HKUYNNGSSA-N 1 0 389.268 3.621 20 30 GHEDRO CCC1(CNS(=O)(=O)CC(C)(C)CC#N)CC[NH+](Cc2ccccc2)CC1 ZINC000451349111 877813708 /nfs/dbraw/zinc/81/37/08/877813708.db2.gz RFGRYBKSUKTDAT-UHFFFAOYSA-N 1 0 391.581 3.538 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451355844 877851194 /nfs/dbraw/zinc/85/11/94/877851194.db2.gz QJPPOYMNWWUJAW-LJQANCHMSA-N 1 0 392.883 3.865 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1OC ZINC000851646273 877852789 /nfs/dbraw/zinc/85/27/89/877852789.db2.gz SRCVCVYORRUYSN-NCZOVAKNSA-N 1 0 394.471 3.573 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000179721521 877883807 /nfs/dbraw/zinc/88/38/07/877883807.db2.gz CARLLAJTBBPQFC-ZIFAQYRBSA-N 1 0 387.430 3.741 20 30 GHEDRO N#C[C@H](CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)c1c(Cl)cccc1Cl ZINC001183106471 912288836 /nfs/dbraw/zinc/28/88/36/912288836.db2.gz NXXKUUOPANQBSK-HNNXBMFYSA-N 1 0 392.330 3.935 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451420017 877948127 /nfs/dbraw/zinc/94/81/27/877948127.db2.gz OJXAHKIRTYAEGM-BDKRGJGYSA-N 1 0 383.536 3.564 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc1 ZINC000492987675 877948499 /nfs/dbraw/zinc/94/84/99/877948499.db2.gz AOAAOKRJVRVQHH-KDURUIRLSA-N 1 0 392.547 3.509 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCN(c2ccccc2)CC1)C(C)C ZINC000615681634 878006164 /nfs/dbraw/zinc/00/61/64/878006164.db2.gz GFDHPRDBIIYVSR-JOCHJYFZSA-N 1 0 384.568 3.607 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C12CCC2 ZINC000451472645 878020795 /nfs/dbraw/zinc/02/07/95/878020795.db2.gz LGDYYBOYSAGIJK-QZTJIDSGSA-N 1 0 387.549 3.764 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000852004316 878026999 /nfs/dbraw/zinc/02/69/99/878026999.db2.gz YHLZCAPUPFWAIO-QFIPXVFZSA-N 1 0 377.488 3.739 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C#N ZINC000543751461 912307082 /nfs/dbraw/zinc/30/70/82/912307082.db2.gz BZXYPDWVVCSDBF-ZBFHGGJFSA-N 1 0 398.576 3.935 20 30 GHEDRO C[NH+](C)CCOC1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000477733654 878106011 /nfs/dbraw/zinc/10/60/11/878106011.db2.gz GYKQQLWUGMCGAW-UHFFFAOYSA-N 1 0 393.487 3.533 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000245575258 878132859 /nfs/dbraw/zinc/13/28/59/878132859.db2.gz HPOZVEYAUGPUNC-URVUXULASA-N 1 0 393.535 3.718 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000852346378 878267536 /nfs/dbraw/zinc/26/75/36/878267536.db2.gz FRUATFOHRIUWKH-OAQYLSRUSA-N 1 0 396.922 3.621 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000530711597 878322270 /nfs/dbraw/zinc/32/22/70/878322270.db2.gz PWAAEGBWOKMXOP-UHFFFAOYSA-N 1 0 394.523 3.774 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([N@H+](CCCC2(C#N)CCOCC2)C2CCC2)C1 ZINC000852450475 878330503 /nfs/dbraw/zinc/33/05/03/878330503.db2.gz MWJQQBSIAXPMDA-UHFFFAOYSA-N 1 0 377.529 3.561 20 30 GHEDRO N#CCOc1ccc(CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000110628760 878331555 /nfs/dbraw/zinc/33/15/55/878331555.db2.gz BNZBXXHUZMWZOP-NRFANRHFSA-N 1 0 397.906 3.738 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000530725828 878394321 /nfs/dbraw/zinc/39/43/21/878394321.db2.gz KFVRSKFIEYSVCM-DNVJHFABSA-N 1 0 388.515 3.592 20 30 GHEDRO O=C(N1CCC[C@@H](C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1)C(F)(F)F ZINC000852601039 878457125 /nfs/dbraw/zinc/45/71/25/878457125.db2.gz OBNFUOSANWMTEN-GOSISDBHSA-N 1 0 396.428 3.690 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451778221 878461249 /nfs/dbraw/zinc/46/12/49/878461249.db2.gz DCIRCKJMHJDZPZ-HOTGVXAUSA-N 1 0 377.554 3.606 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460773583 878540362 /nfs/dbraw/zinc/54/03/62/878540362.db2.gz VFWHWMVFOORLHJ-TZIWHRDSSA-N 1 0 397.567 3.908 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)c(C#N)c1C ZINC000852732231 878563378 /nfs/dbraw/zinc/56/33/78/878563378.db2.gz SGOTWJFAQKKXDL-RBUKOAKNSA-N 1 0 389.883 3.708 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc2c(c1)CCCO2 ZINC000852780968 878594568 /nfs/dbraw/zinc/59/45/68/878594568.db2.gz MYHGSWXHIIWQAA-KXBFYZLASA-N 1 0 398.466 3.899 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460942755 878865016 /nfs/dbraw/zinc/86/50/16/878865016.db2.gz DHLWRZPYIJHNAC-VQIMIIECSA-N 1 0 398.511 3.596 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)cc1Cl ZINC000452064143 878890181 /nfs/dbraw/zinc/89/01/81/878890181.db2.gz ZBKFSTVUQWILRJ-SFHVURJKSA-N 1 0 389.908 3.705 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000068714422 878924179 /nfs/dbraw/zinc/92/41/79/878924179.db2.gz DRRDXIBBEBMKCW-UHFFFAOYSA-N 1 0 387.936 3.733 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OCC ZINC000538165127 878943856 /nfs/dbraw/zinc/94/38/56/878943856.db2.gz ZJQOGYMKUMXRDJ-MRUHUIDDSA-N 1 0 375.513 3.578 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4ccccc4C#N)CC3)cc2F)CC1 ZINC001183295494 912402260 /nfs/dbraw/zinc/40/22/60/912402260.db2.gz RZRKEFWNLAZSGL-UHFFFAOYSA-N 1 0 392.478 3.510 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176523 878982164 /nfs/dbraw/zinc/98/21/64/878982164.db2.gz TZBNCJUDOAUSNB-WOJBJXKFSA-N 1 0 383.488 3.667 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000180556481 879029464 /nfs/dbraw/zinc/02/94/64/879029464.db2.gz GNKSWYWEFHJWCE-QGZVFWFLSA-N 1 0 376.460 3.752 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531153865 879214502 /nfs/dbraw/zinc/21/45/02/879214502.db2.gz QNHLHYZXZJIZDZ-MAUKXSAKSA-N 1 0 395.425 3.921 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000774619112 912436303 /nfs/dbraw/zinc/43/63/03/912436303.db2.gz JURCXCHLPXCCHA-MSOLQXFVSA-N 1 0 377.602 3.706 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[N@@H+]1C ZINC000616972049 879275410 /nfs/dbraw/zinc/27/54/10/879275410.db2.gz QCNWQMYRVAPHNQ-LJQANCHMSA-N 1 0 379.464 3.549 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000180823086 879389321 /nfs/dbraw/zinc/38/93/21/879389321.db2.gz GUMFDBFTMGQRAJ-SGIJDJSVSA-N 1 0 393.535 3.842 20 30 GHEDRO C=CCC[C@H](NC(=O)NC1(C[NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000627004204 879522277 /nfs/dbraw/zinc/52/22/77/879522277.db2.gz JOTINOCRVQLPMA-INIZCTEOSA-N 1 0 385.430 3.520 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000790245445 879545889 /nfs/dbraw/zinc/54/58/89/879545889.db2.gz BRQHMOPPNYRXTI-UHFFFAOYSA-N 1 0 386.417 3.791 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)C2=O)cc1 ZINC000790312212 879589455 /nfs/dbraw/zinc/58/94/55/879589455.db2.gz YVBSWGAAMJFJMW-VJBWXMMDSA-N 1 0 389.499 3.642 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000285857525 912473961 /nfs/dbraw/zinc/47/39/61/912473961.db2.gz XLTHTINCSHCQGE-YJBOKZPZSA-N 1 0 395.532 3.696 20 30 GHEDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000854223708 879641909 /nfs/dbraw/zinc/64/19/09/879641909.db2.gz UQXDNFVMHZXEJY-RTFZILSDSA-N 1 0 379.504 3.784 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493894316 879723371 /nfs/dbraw/zinc/72/33/71/879723371.db2.gz NDKVMQNAFAPLKX-PKOBYXMFSA-N 1 0 375.806 3.551 20 30 GHEDRO C#CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)c1ccccc1 ZINC000790439344 879726468 /nfs/dbraw/zinc/72/64/68/879726468.db2.gz TUJBBTIBMIMTCG-QFIPXVFZSA-N 1 0 379.504 3.533 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790533878 879801473 /nfs/dbraw/zinc/80/14/73/879801473.db2.gz GKEIMZIGXOGTDB-QFIPXVFZSA-N 1 0 393.572 3.665 20 30 GHEDRO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1C#N ZINC000746923295 879828387 /nfs/dbraw/zinc/82/83/87/879828387.db2.gz NBNPQEPWPZIQKG-GOSISDBHSA-N 1 0 391.515 3.526 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)c(F)c1 ZINC000776739740 879848005 /nfs/dbraw/zinc/84/80/05/879848005.db2.gz CPGYRBKZGFRBFG-APPDUMDISA-N 1 0 376.815 3.506 20 30 GHEDRO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461456996 879868172 /nfs/dbraw/zinc/86/81/72/879868172.db2.gz OWUDXQHIWVDLOU-FCHUYYIVSA-N 1 0 376.500 3.846 20 30 GHEDRO C=CC[C@]1(C(=O)NC2CC[NH+](CCCC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790618570 879890538 /nfs/dbraw/zinc/89/05/38/879890538.db2.gz XLCPPJSSBKIBPS-JOCHJYFZSA-N 1 0 393.572 3.713 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000790708566 879942495 /nfs/dbraw/zinc/94/24/95/879942495.db2.gz IWBPHKVACDRRCX-UHFFFAOYSA-N 1 0 378.438 3.970 20 30 GHEDRO COc1ccccc1N1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286013550 912537293 /nfs/dbraw/zinc/53/72/93/912537293.db2.gz JIYYSBJVMJFGKL-HXUWFJFHSA-N 1 0 390.531 3.652 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000286111762 912575016 /nfs/dbraw/zinc/57/50/16/912575016.db2.gz UKGLCFXQQUKJQA-SMIHKQSGSA-N 1 0 398.510 3.963 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)ccc1OC ZINC000113348032 880520380 /nfs/dbraw/zinc/52/03/80/880520380.db2.gz BQZKSXNJNIUWJD-FQEVSTJZSA-N 1 0 394.450 3.991 20 30 GHEDRO C=CCCOCC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670041315 880569039 /nfs/dbraw/zinc/56/90/39/880569039.db2.gz MUNSCTVLLFDYHM-VZKPYBMVSA-N 1 0 376.928 3.963 20 30 GHEDRO CCc1cccc2c(C3CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC3)c[nH]c21 ZINC000531841597 880586677 /nfs/dbraw/zinc/58/66/77/880586677.db2.gz BARDVVFDZGEAEF-QGZVFWFLSA-N 1 0 380.536 3.918 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Br)ccc2ccccc21 ZINC001275200432 912596885 /nfs/dbraw/zinc/59/68/85/912596885.db2.gz YAYJRMGOXARMEI-WOJBJXKFSA-N 1 0 397.316 3.801 20 30 GHEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000531970314 880845976 /nfs/dbraw/zinc/84/59/76/880845976.db2.gz HKZSXBNCERIIAW-FXAWDEMLSA-N 1 0 394.494 3.982 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)OCCO2 ZINC000531970090 880847688 /nfs/dbraw/zinc/84/76/88/880847688.db2.gz JLWHBXSYAMMELZ-QAPCUYQASA-N 1 0 381.451 3.788 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186574851 880922719 /nfs/dbraw/zinc/92/27/19/880922719.db2.gz KTGTVRSZBHHQPB-SFHVURJKSA-N 1 0 379.504 3.566 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000453426523 880927471 /nfs/dbraw/zinc/92/74/71/880927471.db2.gz RPJVDJUKSGIUOQ-FQEVSTJZSA-N 1 0 389.588 3.900 20 30 GHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453428050 880931274 /nfs/dbraw/zinc/93/12/74/880931274.db2.gz ZIMBKCUWDYINGJ-GIVPXCGWSA-N 1 0 395.551 3.630 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)cc1 ZINC000792185395 880972756 /nfs/dbraw/zinc/97/27/56/880972756.db2.gz DNOCWWARYXWFLR-XMMPIXPASA-N 1 0 389.499 3.651 20 30 GHEDRO C=CCn1c(N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453448815 881002160 /nfs/dbraw/zinc/00/21/60/881002160.db2.gz ZFPOOUFFUWRVBY-NFBKMPQASA-N 1 0 395.551 3.591 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453450483 881003673 /nfs/dbraw/zinc/00/36/73/881003673.db2.gz HRIOZGNSOMRXHY-UHFFFAOYSA-N 1 0 383.540 3.662 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000113970697 881018709 /nfs/dbraw/zinc/01/87/09/881018709.db2.gz JWLHZGRJUDWXCU-HXUWFJFHSA-N 1 0 386.540 3.679 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001183569881 912639223 /nfs/dbraw/zinc/63/92/23/912639223.db2.gz RSDVRGFIMHYQIN-MRXNPFEDSA-N 1 0 389.377 3.917 20 30 GHEDRO C=CCc1cc(C[NH2+]CCc2nc(-c3ccncc3)cs2)cc(OC)c1O ZINC000532092448 881124558 /nfs/dbraw/zinc/12/45/58/881124558.db2.gz GYXZTHSNSHUXDI-UHFFFAOYSA-N 1 0 381.501 3.980 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cnc2ccsc2c1 ZINC000190602604 881217672 /nfs/dbraw/zinc/21/76/72/881217672.db2.gz FZJORLWGJQYWGF-AUUYWEPGSA-N 1 0 376.485 3.620 20 30 GHEDRO N#Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000532139444 881277995 /nfs/dbraw/zinc/27/79/95/881277995.db2.gz KZUAUCLCXOALEK-UHFFFAOYSA-N 1 0 395.459 3.788 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc(OCC#N)cc1 ZINC000858489751 883139932 /nfs/dbraw/zinc/13/99/32/883139932.db2.gz KYYCNJYBBQDNNO-HRAATJIYSA-N 1 0 385.895 3.798 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432200 883189672 /nfs/dbraw/zinc/18/96/72/883189672.db2.gz RRJAFAWAZTWNAB-LJQANCHMSA-N 1 0 379.504 3.895 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000761668632 883231595 /nfs/dbraw/zinc/23/15/95/883231595.db2.gz PSJKMKBJVMGTLH-UHFFFAOYSA-N 1 0 388.487 3.848 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000609516435 883283763 /nfs/dbraw/zinc/28/37/63/883283763.db2.gz UWHHSGCRCPHOLX-JOCHJYFZSA-N 1 0 379.504 3.835 20 30 GHEDRO CC[C@@H]1CC(NC(=[NH2+])c2ccc(F)cn2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170463657 883286490 /nfs/dbraw/zinc/28/64/90/883286490.db2.gz HITYKLULITUBFB-HZPDHXFCSA-N 1 0 378.492 3.883 20 30 GHEDRO N#Cc1ccc(NCC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC000609520948 883297030 /nfs/dbraw/zinc/29/70/30/883297030.db2.gz KHLFSJGJBAJLQQ-UHFFFAOYSA-N 1 0 396.922 3.748 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000761673132 883315346 /nfs/dbraw/zinc/31/53/46/883315346.db2.gz ASTZMXIHDGTYJL-GOSISDBHSA-N 1 0 388.487 3.894 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000609553721 883366144 /nfs/dbraw/zinc/36/61/44/883366144.db2.gz GJVRDNLOJPWITE-GOSISDBHSA-N 1 0 379.464 3.740 20 30 GHEDRO CC1(C(=O)NCc2ccc(OCC#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000185400160 883447221 /nfs/dbraw/zinc/44/72/21/883447221.db2.gz FIEMLVNHAPJIRL-UHFFFAOYSA-N 1 0 377.488 3.507 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193754012 883470261 /nfs/dbraw/zinc/47/02/61/883470261.db2.gz IJLUAODKNOTGIO-LJQANCHMSA-N 1 0 378.476 3.601 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000551210988 883488966 /nfs/dbraw/zinc/48/89/66/883488966.db2.gz LYPDNDULVQAUIY-QGZVFWFLSA-N 1 0 376.504 3.580 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000609663013 883507010 /nfs/dbraw/zinc/50/70/10/883507010.db2.gz PFDJUACOXACLFX-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO COc1ccc(CC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC(C)(C)C)cc1 ZINC000609672734 883526644 /nfs/dbraw/zinc/52/66/44/883526644.db2.gz OQTIRRJWTYWKSD-UHFFFAOYSA-N 1 0 393.531 3.774 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000609710024 883567286 /nfs/dbraw/zinc/56/72/86/883567286.db2.gz JFHVDKFPZJUBGR-MRXNPFEDSA-N 1 0 380.467 3.722 20 30 GHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000609766697 883655790 /nfs/dbraw/zinc/65/57/90/883655790.db2.gz FWUHWEARRJTWED-UHFFFAOYSA-N 1 0 375.538 3.718 20 30 GHEDRO N#CC[C@@H](CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000477108727 883728062 /nfs/dbraw/zinc/72/80/62/883728062.db2.gz KHKMYBCXJYTOJA-VXKWHMMOSA-N 1 0 393.556 3.808 20 30 GHEDRO N#Cc1ccc(CCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000598396969 883755346 /nfs/dbraw/zinc/75/53/46/883755346.db2.gz QQSJPTYKPSECNW-HSZRJFAPSA-N 1 0 387.527 3.909 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194454825 883827558 /nfs/dbraw/zinc/82/75/58/883827558.db2.gz JNNIAILZBHCVDS-HSZRJFAPSA-N 1 0 388.515 3.778 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2COCc2ccccc2)CC1 ZINC000859524728 883870606 /nfs/dbraw/zinc/87/06/06/883870606.db2.gz GGBJFTONPQMQPL-UHFFFAOYSA-N 1 0 376.500 3.621 20 30 GHEDRO C=C(C)[C@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccc(F)c(F)c1 ZINC000556179023 884026638 /nfs/dbraw/zinc/02/66/38/884026638.db2.gz MWLSJKLGCZARQA-UXHICEINSA-N 1 0 392.471 3.897 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1F ZINC000805776749 884057312 /nfs/dbraw/zinc/05/73/12/884057312.db2.gz WDWIFRQTZGAACO-HNAYVOBHSA-N 1 0 377.891 3.527 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000610348467 884072402 /nfs/dbraw/zinc/07/24/02/884072402.db2.gz ANGFROXTCRPJPL-INIZCTEOSA-N 1 0 380.467 3.722 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000190474724 884084774 /nfs/dbraw/zinc/08/47/74/884084774.db2.gz VROROYYSEALHGU-VFNWGFHPSA-N 1 0 399.441 3.536 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000494874085 884099942 /nfs/dbraw/zinc/09/99/42/884099942.db2.gz NFPBOESHMMHHCU-OAHLLOKOSA-N 1 0 396.354 3.546 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000494873491 884101549 /nfs/dbraw/zinc/10/15/49/884101549.db2.gz KSHULBZSGXMURC-QFIPXVFZSA-N 1 0 377.488 3.649 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000498344682 884119592 /nfs/dbraw/zinc/11/95/92/884119592.db2.gz NHINICKTCCUVDL-QGZVFWFLSA-N 1 0 393.535 3.542 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@@H](O)C(F)(F)F ZINC000498349842 884140394 /nfs/dbraw/zinc/14/03/94/884140394.db2.gz LKYVSZNHLDJTJR-RTBURBONSA-N 1 0 378.394 3.929 20 30 GHEDRO N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805854848 884147332 /nfs/dbraw/zinc/14/73/32/884147332.db2.gz ZGUMZCDJGSFGAB-IBGZPJMESA-N 1 0 381.863 3.897 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4ccc(Cl)cc43)C2=O)cc1 ZINC000576382086 884188899 /nfs/dbraw/zinc/18/88/99/884188899.db2.gz QXVYXDYAAVCXQF-NHCUHLMSSA-N 1 0 379.891 3.980 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]Cc3nc(C#N)cs3)CC[C@H]21 ZINC000897629550 884211035 /nfs/dbraw/zinc/21/10/35/884211035.db2.gz LBEZMIOLEWCMJN-IJEWVQPXSA-N 1 0 376.526 3.673 20 30 GHEDRO CCSc1ccc([C@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)cc1 ZINC001168474323 884268231 /nfs/dbraw/zinc/26/82/31/884268231.db2.gz JELSFZNRPJKXJC-INIZCTEOSA-N 1 0 378.497 3.749 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cn1 ZINC000747295201 884286555 /nfs/dbraw/zinc/28/65/55/884286555.db2.gz PTSZKZDZCLVKQB-NRFANRHFSA-N 1 0 388.475 3.744 20 30 GHEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1ccnc(C#N)c1)Cc1ccccc1 ZINC000476235545 884288620 /nfs/dbraw/zinc/28/86/20/884288620.db2.gz TYBHXJLACUXXMB-UHFFFAOYSA-N 1 0 384.483 3.728 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000487815213 884296776 /nfs/dbraw/zinc/29/67/76/884296776.db2.gz HHBLTPAVKHSSDK-QWHCGFSZSA-N 1 0 379.302 3.563 20 30 GHEDRO C[NH+](C)C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)c2ccccc2O1 ZINC000860058408 884299098 /nfs/dbraw/zinc/29/90/98/884299098.db2.gz CQRFMLKDWGAONR-FQEVSTJZSA-N 1 0 389.499 3.726 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc1OC ZINC000025383011 884350921 /nfs/dbraw/zinc/35/09/21/884350921.db2.gz WARDQYOZSYOKIH-HXUWFJFHSA-N 1 0 382.504 3.855 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+]C2(Cc3ccccc3)CCOCC2)c(C#N)c1C ZINC000556311697 884426539 /nfs/dbraw/zinc/42/65/39/884426539.db2.gz NSCZGGLRQBBFAT-UHFFFAOYSA-N 1 0 383.517 3.557 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)CC(C)C ZINC000498462481 884491739 /nfs/dbraw/zinc/49/17/39/884491739.db2.gz JTRJSHVSADPJDV-SFHVURJKSA-N 1 0 390.597 3.843 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NN2C(=S)N=NC2C(C)(C)C)c1C ZINC000914692094 884524668 /nfs/dbraw/zinc/52/46/68/884524668.db2.gz LVLCYEINIXZYCJ-QGZVFWFLSA-N 1 0 388.585 3.649 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)CCCC2)cc1 ZINC000860301699 884544013 /nfs/dbraw/zinc/54/40/13/884544013.db2.gz KIIMUAQUCBNRDJ-SIKLNZKXSA-N 1 0 377.532 3.845 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000102924263 884636041 /nfs/dbraw/zinc/63/60/41/884636041.db2.gz RNCDPVSBCFAWIP-UHFFFAOYSA-N 1 0 390.306 3.990 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001126681713 884661943 /nfs/dbraw/zinc/66/19/43/884661943.db2.gz PLTBGIUXVBCNSU-KNQAVFIVSA-N 1 0 375.516 3.887 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154863550 884697694 /nfs/dbraw/zinc/69/76/94/884697694.db2.gz AHOHNXHTSCAVIX-WOJBJXKFSA-N 1 0 397.482 3.800 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccnc2ccccc12 ZINC000117669207 884895657 /nfs/dbraw/zinc/89/56/57/884895657.db2.gz IERJNTKYUHPCDY-ZHACJKMWSA-N 1 0 384.483 3.710 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000537525417 884991366 /nfs/dbraw/zinc/99/13/66/884991366.db2.gz YSYWPLQXOYNTFL-QFBILLFUSA-N 1 0 387.549 3.768 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000106243139 885004064 /nfs/dbraw/zinc/00/40/64/885004064.db2.gz UECDHOLFEXTBJY-QGZVFWFLSA-N 1 0 378.944 3.791 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103475105 885022557 /nfs/dbraw/zinc/02/25/57/885022557.db2.gz FMTUXXIUVXGUBA-KRWDZBQOSA-N 1 0 387.487 3.840 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H]1C ZINC000248889157 885028323 /nfs/dbraw/zinc/02/83/23/885028323.db2.gz IQBJXTKLGBYAIL-HTAPYJJXSA-N 1 0 378.472 3.768 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000191469582 885058285 /nfs/dbraw/zinc/05/82/85/885058285.db2.gz JQXKRWXMFMQERB-OAHLLOKOSA-N 1 0 399.564 3.607 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000806929244 885096402 /nfs/dbraw/zinc/09/64/02/885096402.db2.gz YUTOHUWIMFBELM-REWPJTCUSA-N 1 0 375.516 3.885 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000103859937 885181277 /nfs/dbraw/zinc/18/12/77/885181277.db2.gz UBWRNUINFICYOS-IBGZPJMESA-N 1 0 398.551 3.623 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000103859683 885181538 /nfs/dbraw/zinc/18/15/38/885181538.db2.gz AUAGLESZWVNRHX-UHFFFAOYSA-N 1 0 398.551 3.623 20 30 GHEDRO COc1cc(NC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000861263150 885355779 /nfs/dbraw/zinc/35/57/79/885355779.db2.gz VLDOITJJYWHVTR-JOCHJYFZSA-N 1 0 396.466 3.740 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1Cl ZINC000610847518 885358585 /nfs/dbraw/zinc/35/85/85/885358585.db2.gz ZOPMPYHCEZZQEV-UHFFFAOYSA-N 1 0 379.851 3.516 20 30 GHEDRO C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001168486351 885376384 /nfs/dbraw/zinc/37/63/84/885376384.db2.gz LKLKTIRLWWRACR-UZUQRXQVSA-N 1 0 377.463 3.757 20 30 GHEDRO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104716129 885573456 /nfs/dbraw/zinc/57/34/56/885573456.db2.gz NLORVCSAVTWSPJ-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000495379698 885583486 /nfs/dbraw/zinc/58/34/86/885583486.db2.gz LSWFDSIODSKBET-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO C=CCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000807663240 885595046 /nfs/dbraw/zinc/59/50/46/885595046.db2.gz KVYGWEVSNISVFW-JOCHJYFZSA-N 1 0 393.531 3.530 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001131027951 885644257 /nfs/dbraw/zinc/64/42/57/885644257.db2.gz RZRBLXVSWNCZSY-AUSIDOKSSA-N 1 0 391.515 3.695 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000532469869 885657053 /nfs/dbraw/zinc/65/70/53/885657053.db2.gz QFRLTNCGUZJAQO-LSTHTHJFSA-N 1 0 377.492 3.583 20 30 GHEDRO C=C[C@H](CC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000533923546 885994833 /nfs/dbraw/zinc/99/48/33/885994833.db2.gz GJBLBOMSHYAWOI-OAQYLSRUSA-N 1 0 391.559 3.800 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000862097678 886104529 /nfs/dbraw/zinc/10/45/29/886104529.db2.gz UDHOMRZRNVTVST-CEWLAPEOSA-N 1 0 393.556 3.621 20 30 GHEDRO C=CCCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000117870820 886118960 /nfs/dbraw/zinc/11/89/60/886118960.db2.gz IFZWWZMAHBFFPU-UHFFFAOYSA-N 1 0 389.849 3.881 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C#N)cc1)C(=S)NCCCSC ZINC000762440453 886228463 /nfs/dbraw/zinc/22/84/63/886228463.db2.gz MNWNYDDYLWHCOM-UHFFFAOYSA-O 1 0 398.577 3.962 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000556896192 886494856 /nfs/dbraw/zinc/49/48/56/886494856.db2.gz FZHDFFKPHILVPD-HRAATJIYSA-N 1 0 377.463 3.508 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124138557 886710304 /nfs/dbraw/zinc/71/03/04/886710304.db2.gz GDTAPNLUVZEKLB-HKUYNNGSSA-N 1 0 379.508 3.675 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001168524907 886750736 /nfs/dbraw/zinc/75/07/36/886750736.db2.gz PVXIDEYLOVAESL-DLBZAZTESA-N 1 0 382.426 3.958 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000125404857 886864200 /nfs/dbraw/zinc/86/42/00/886864200.db2.gz UBFJVSUHZCNEHV-YLZJTPGZSA-N 1 0 376.460 3.724 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000670206740 887039559 /nfs/dbraw/zinc/03/95/59/887039559.db2.gz LZZMCQYKVFEEIV-NRFANRHFSA-N 1 0 381.568 3.808 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(OCC)cc3)n2)CC1 ZINC000171719398 887051165 /nfs/dbraw/zinc/05/11/65/887051165.db2.gz WCVONSGMOFXFAS-UHFFFAOYSA-N 1 0 385.533 3.518 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670211794 887097822 /nfs/dbraw/zinc/09/78/22/887097822.db2.gz YLNBKCMGOQVBKX-QGZVFWFLSA-N 1 0 376.508 3.600 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 ZINC000729630575 887165746 /nfs/dbraw/zinc/16/57/46/887165746.db2.gz ZCNVHOAUCMTYQY-UHFFFAOYSA-N 1 0 393.472 3.788 20 30 GHEDRO N#CCCCOc1cccc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000128995251 887247776 /nfs/dbraw/zinc/24/77/76/887247776.db2.gz MZEOMBAULXJXSU-UHFFFAOYSA-N 1 0 395.478 3.856 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000536601713 887504004 /nfs/dbraw/zinc/50/40/04/887504004.db2.gz CIJFIFVPZMYNBP-UHFFFAOYSA-N 1 0 378.520 3.764 20 30 GHEDRO Cc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000119880617 887597387 /nfs/dbraw/zinc/59/73/87/887597387.db2.gz QMUOSDSBMVCNCO-UHFFFAOYSA-N 1 0 378.520 3.816 20 30 GHEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000794669953 887717340 /nfs/dbraw/zinc/71/73/40/887717340.db2.gz DWCAJLLWVIFHNM-IMRHEYAYSA-N 1 0 385.467 3.950 20 30 GHEDRO C[C@@H]([NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000794669955 887717723 /nfs/dbraw/zinc/71/77/23/887717723.db2.gz DWCAJLLWVIFHNM-ZQMYSKGWSA-N 1 0 385.467 3.950 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670232888 887786150 /nfs/dbraw/zinc/78/61/50/887786150.db2.gz CPTCYASPPUNLFS-LJQANCHMSA-N 1 0 383.515 3.649 20 30 GHEDRO C#C[C@@H]([NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)C(C)(C)C ZINC000809781579 887832972 /nfs/dbraw/zinc/83/29/72/887832972.db2.gz WUHSASWFIFVLHT-GOSISDBHSA-N 1 0 391.353 4.000 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(ccnc2Cl)o1 ZINC000864909771 888067243 /nfs/dbraw/zinc/06/72/43/888067243.db2.gz AKHVWWUSJVJOFY-UHFFFAOYSA-N 1 0 382.851 3.557 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000810008466 888074689 /nfs/dbraw/zinc/07/46/89/888074689.db2.gz IBFDQJBWHHFSKJ-AJSBUHFISA-N 1 0 390.531 3.665 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)ccn1 ZINC000810049030 888095059 /nfs/dbraw/zinc/09/50/59/888095059.db2.gz RAKSTWFKRVLRIB-LPHOPBHVSA-N 1 0 386.293 3.661 20 30 GHEDRO N#Cc1cc2c(nc1N1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)CCOC2 ZINC000575953954 888286483 /nfs/dbraw/zinc/28/64/83/888286483.db2.gz BZWJCRYCSHQVRP-UHFFFAOYSA-N 1 0 388.515 3.518 20 30 GHEDRO C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C1=CC[N@H+](C)CC1 ZINC000272655834 888335780 /nfs/dbraw/zinc/33/57/80/888335780.db2.gz FWMLKKLCEBYWFN-KRWDZBQOSA-N 1 0 375.472 3.517 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000532700994 888342164 /nfs/dbraw/zinc/34/21/64/888342164.db2.gz SYQRULZLJYGRNV-KEZQHZCBSA-N 1 0 382.552 3.659 20 30 GHEDRO COc1ccc(C(C)=NNC(=S)NCc2ccccc2)cc1C[NH+]1CCCC1 ZINC000915924506 888558652 /nfs/dbraw/zinc/55/86/52/888558652.db2.gz NYPYOJSLXRMYBG-UHFFFAOYSA-N 1 0 396.560 3.679 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC(C)=C(C)C2)c1=S ZINC000794882769 888652536 /nfs/dbraw/zinc/65/25/36/888652536.db2.gz VBCJNBYYDRBGOG-UHFFFAOYSA-N 1 0 375.586 3.628 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)Cc2cccc(OCC#N)c2)C1 ZINC000810673315 888762092 /nfs/dbraw/zinc/76/20/92/888762092.db2.gz CIFHSCBGSCEYJM-WZONZLPQSA-N 1 0 396.462 3.850 20 30 GHEDRO C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810662346 888784916 /nfs/dbraw/zinc/78/49/16/888784916.db2.gz AVZLRDFLXUCUPQ-NQIIRXRSSA-N 1 0 378.472 3.585 20 30 GHEDRO Cn1ccc([C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)c2ccc(F)cc2)n1 ZINC000866449693 888882724 /nfs/dbraw/zinc/88/27/24/888882724.db2.gz ZLSILPBECYVJCR-QHCPKHFHSA-N 1 0 389.478 3.779 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn2)cc1 ZINC000866493980 888904718 /nfs/dbraw/zinc/90/47/18/888904718.db2.gz FTBPIRMJOPODAI-UHFFFAOYSA-N 1 0 396.498 3.751 20 30 GHEDRO C(=[NH+]NCc1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000916344663 888934658 /nfs/dbraw/zinc/93/46/58/888934658.db2.gz XYWHNYXBNUQYBF-UHFFFAOYSA-N 1 0 378.501 3.770 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)CC1 ZINC000121236561 889039493 /nfs/dbraw/zinc/03/94/93/889039493.db2.gz IUPZWCORQRHMQH-UHFFFAOYSA-N 1 0 377.492 3.980 20 30 GHEDRO COCCC1(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]CC1 ZINC000868112121 889299021 /nfs/dbraw/zinc/29/90/21/889299021.db2.gz FLNBCKBTYMAQDD-UHFFFAOYSA-N 1 0 394.475 3.631 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000454581685 889315496 /nfs/dbraw/zinc/31/54/96/889315496.db2.gz BMFCXCWJMWUCPV-JXFKEZNVSA-N 1 0 380.467 3.550 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000454581686 889315807 /nfs/dbraw/zinc/31/58/07/889315807.db2.gz BMFCXCWJMWUCPV-OXJNMPFZSA-N 1 0 380.467 3.550 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000123553661 889328183 /nfs/dbraw/zinc/32/81/83/889328183.db2.gz GDQDTYIWYZYGDU-HXUWFJFHSA-N 1 0 376.504 3.581 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(F)c1 ZINC000532987039 889466456 /nfs/dbraw/zinc/46/64/56/889466456.db2.gz PJCFCZLCHCUFNQ-HNNXBMFYSA-N 1 0 377.341 3.611 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccc(C#N)c(F)c2)cc1 ZINC000454760151 889700692 /nfs/dbraw/zinc/70/06/92/889700692.db2.gz AQEOGKULSDXBHV-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO C=CCCCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCC(F)(F)F)C2)C1 ZINC001275329005 913390576 /nfs/dbraw/zinc/39/05/76/913390576.db2.gz JIGFNEDBUYKMNR-SFHVURJKSA-N 1 0 376.463 3.626 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@]2(CC(=O)N(Cc3csc(C)n3)C2=O)C1 ZINC001275329177 913391883 /nfs/dbraw/zinc/39/18/83/913391883.db2.gz OKXJQJRFGYCYCO-FQEVSTJZSA-N 1 0 375.538 3.539 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454928884 890006230 /nfs/dbraw/zinc/00/62/30/890006230.db2.gz SHUKWGHSDUQKCQ-OAQYLSRUSA-N 1 0 394.494 3.797 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccccc1SCC#N ZINC000869799536 890073187 /nfs/dbraw/zinc/07/31/87/890073187.db2.gz GZKLFCNZFBKEHJ-HKUYNNGSSA-N 1 0 379.529 3.800 20 30 GHEDRO CC(=O)c1c(C)c(C)[nH]c1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001184769444 913421418 /nfs/dbraw/zinc/42/14/18/913421418.db2.gz ZZUOUJHTQKALEO-MXVIHJGJSA-N 1 0 392.503 3.618 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811962876 890167419 /nfs/dbraw/zinc/16/74/19/890167419.db2.gz BOSYIEYIVRTZJN-OAQYLSRUSA-N 1 0 381.907 3.932 20 30 GHEDRO COc1cc(CN2CC[NH+](C3CCC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533302714 890251529 /nfs/dbraw/zinc/25/15/29/890251529.db2.gz QJQBMLWLFKTWGS-UHFFFAOYSA-N 1 0 391.515 3.816 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000841762517 890297771 /nfs/dbraw/zinc/29/77/71/890297771.db2.gz PTFJNAKBZLHAGE-FCRQHZQGSA-N 1 0 399.535 3.844 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)cc1 ZINC000533366966 890352429 /nfs/dbraw/zinc/35/24/29/890352429.db2.gz BVROECOCKHYHQZ-FQEVSTJZSA-N 1 0 392.503 3.779 20 30 GHEDRO Cc1cnc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)cc1C#N ZINC001170664749 890403803 /nfs/dbraw/zinc/40/38/03/890403803.db2.gz GTPWGAVVBKPMGM-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO O=C(C#Cc1cccs1)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000825568742 890586590 /nfs/dbraw/zinc/58/65/90/890586590.db2.gz YJJGYUXPAWGCLA-UHFFFAOYSA-N 1 0 381.501 3.553 20 30 GHEDRO C=CCc1cc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1O ZINC000127128298 890906462 /nfs/dbraw/zinc/90/64/62/890906462.db2.gz VNYUIBWGQHYRSJ-MRXNPFEDSA-N 1 0 378.476 3.903 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000455544577 891129012 /nfs/dbraw/zinc/12/90/12/891129012.db2.gz PJDNHGVHCXXNEC-UHFFFAOYSA-N 1 0 380.467 3.683 20 30 GHEDRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000246477168 891272088 /nfs/dbraw/zinc/27/20/88/891272088.db2.gz QYUNYDBVVRUQMA-LAUBAEHRSA-N 1 0 387.449 3.952 20 30 GHEDRO CCC(CC)C[N@H+](CCC#N)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124134960 891279926 /nfs/dbraw/zinc/27/99/26/891279926.db2.gz OGZBANUVTBAWOI-UHFFFAOYSA-N 1 0 391.313 3.768 20 30 GHEDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2cccc(C#N)c2)c2c(F)cccc2Cl)CCO1 ZINC000237432805 891736555 /nfs/dbraw/zinc/73/65/55/891736555.db2.gz XMBUWQKHXKUSHW-QRWLVFNGSA-N 1 0 387.886 3.902 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1C#N ZINC000813784959 891969824 /nfs/dbraw/zinc/96/98/24/891969824.db2.gz AQXJKKRJCOYKGC-GOSISDBHSA-N 1 0 385.508 3.979 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)cc(OC)c1OC ZINC000813860082 892031980 /nfs/dbraw/zinc/03/19/80/892031980.db2.gz ONESEBBFVMCDJR-MRXNPFEDSA-N 1 0 382.504 3.985 20 30 GHEDRO Cc1ccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c(OCC[NH+](C)C)c1 ZINC000497648687 892066950 /nfs/dbraw/zinc/06/69/50/892066950.db2.gz USVXVQUWPMYECT-UHFFFAOYSA-N 1 0 378.476 3.618 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1OC ZINC000623452851 892280773 /nfs/dbraw/zinc/28/07/73/892280773.db2.gz RLYIEGSMNOUBLI-SFHVURJKSA-N 1 0 392.927 3.937 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1=S ZINC000054519465 892695002 /nfs/dbraw/zinc/69/50/02/892695002.db2.gz JFXGYUNBHTWAAA-SFHVURJKSA-N 1 0 395.532 3.806 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C2)CC1 ZINC000533765382 892861700 /nfs/dbraw/zinc/86/17/00/892861700.db2.gz CTQPTYNGIHGNCK-OAQYLSRUSA-N 1 0 388.515 3.677 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)ccc1OC ZINC000825826981 892862942 /nfs/dbraw/zinc/86/29/42/892862942.db2.gz KMYRRPMQBWFWLI-UXHICEINSA-N 1 0 399.535 3.789 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064244545 892888814 /nfs/dbraw/zinc/88/88/14/892888814.db2.gz OZSBSUIUECDMCE-UHFFFAOYSA-N 1 0 399.535 3.944 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000272558127 892910073 /nfs/dbraw/zinc/91/00/73/892910073.db2.gz JGQXKASHQCQYLZ-SFHVURJKSA-N 1 0 382.508 3.640 20 30 GHEDRO C[N@@H+]1CCC[C@H](COC(=O)CSCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125764646 892975666 /nfs/dbraw/zinc/97/56/66/892975666.db2.gz MMPNBPYMJQXACK-PBHICJAKSA-N 1 0 386.439 3.888 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508724691 892990015 /nfs/dbraw/zinc/99/00/15/892990015.db2.gz UFVXSWXJZTZICT-UHFFFAOYSA-N 1 0 383.540 3.627 20 30 GHEDRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000814658706 893019505 /nfs/dbraw/zinc/01/95/05/893019505.db2.gz GRNQLDQPADPTSA-FQEVSTJZSA-N 1 0 392.503 3.788 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1)CC(F)(F)F ZINC000747967341 893020715 /nfs/dbraw/zinc/02/07/15/893020715.db2.gz LSKDFZCVCLXIQZ-CQSZACIVSA-N 1 0 389.849 3.948 20 30 GHEDRO N#Cc1ccnc(C[N@H+]2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)c1 ZINC001170757896 893042053 /nfs/dbraw/zinc/04/20/53/893042053.db2.gz WNCSBBBHLZMQPQ-QFBILLFUSA-N 1 0 386.293 3.661 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000933610481 893096849 /nfs/dbraw/zinc/09/68/49/893096849.db2.gz LOQOKZNMNITVSB-GOSISDBHSA-N 1 0 379.426 3.539 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)c1ccsc1 ZINC000455756110 893218471 /nfs/dbraw/zinc/21/84/71/893218471.db2.gz NHWRRVHTUINIME-INIZCTEOSA-N 1 0 377.901 3.873 20 30 GHEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876728027 893303405 /nfs/dbraw/zinc/30/34/05/893303405.db2.gz WCVMVTUOGUXMJH-QHCPKHFHSA-N 1 0 382.552 3.627 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ncc(C#N)cc3C)cc2Cl)CC1 ZINC000815100674 893472621 /nfs/dbraw/zinc/47/26/21/893472621.db2.gz RYDQOIIGLCJNEP-UHFFFAOYSA-N 1 0 397.910 3.699 20 30 GHEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877168518 893518850 /nfs/dbraw/zinc/51/88/50/893518850.db2.gz MRRFVYVCDSOTMX-UHFFFAOYSA-N 1 0 387.480 3.833 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CCCC1 ZINC000498188370 893526721 /nfs/dbraw/zinc/52/67/21/893526721.db2.gz RFHPXZZFHLSAJU-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000918354197 893542566 /nfs/dbraw/zinc/54/25/66/893542566.db2.gz AKRWYNPPPBOTJB-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137118089 893554314 /nfs/dbraw/zinc/55/43/14/893554314.db2.gz LPXIKKGCXDTZRJ-QFIPXVFZSA-N 1 0 389.499 3.569 20 30 GHEDRO C[C@@H](C#N)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000556063161 893614673 /nfs/dbraw/zinc/61/46/73/893614673.db2.gz VYERSYIVRILIPB-ORYQWCPZSA-N 1 0 381.907 3.831 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000536731107 893642605 /nfs/dbraw/zinc/64/26/05/893642605.db2.gz HPBXVTVCMMDWKF-NHCUHLMSSA-N 1 0 391.515 3.669 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC001137123994 893711165 /nfs/dbraw/zinc/71/11/65/893711165.db2.gz LDEHFYCROMOWRC-UHFFFAOYSA-N 1 0 391.393 3.810 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000877672626 893755417 /nfs/dbraw/zinc/75/54/17/893755417.db2.gz IYBZFLXXHOWEOZ-UHFFFAOYSA-N 1 0 390.531 3.739 20 30 GHEDRO Cc1nsc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000459551445 893787126 /nfs/dbraw/zinc/78/71/26/893787126.db2.gz NWWMLYHONZNIBF-UHFFFAOYSA-N 1 0 389.912 3.763 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@@H]1C(F)(F)F ZINC000877816013 893822845 /nfs/dbraw/zinc/82/28/45/893822845.db2.gz AZUUBLRCILXIAJ-KGLIPLIRSA-N 1 0 377.451 3.951 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000563501919 893833721 /nfs/dbraw/zinc/83/37/21/893833721.db2.gz RUVOSKBVWYCGRD-ICSRJNTNSA-N 1 0 378.451 3.775 20 30 GHEDRO C=CCCc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c(=O)[nH]1 ZINC001185359216 913811748 /nfs/dbraw/zinc/81/17/48/913811748.db2.gz SVDHGWZMCZTSFP-UHFFFAOYSA-N 1 0 391.515 3.569 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000498274803 893860962 /nfs/dbraw/zinc/86/09/62/893860962.db2.gz JLESFTGAEPFLKA-OAQYLSRUSA-N 1 0 387.572 3.816 20 30 GHEDRO CC(C)(CC1CCOCC1)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001185328366 913816508 /nfs/dbraw/zinc/81/65/08/913816508.db2.gz JFGXQZVRTAIBSY-HZCBDIJESA-N 1 0 397.563 4.000 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000129775453 893961619 /nfs/dbraw/zinc/96/16/19/893961619.db2.gz BUGFZKJRKOZDKW-QGZVFWFLSA-N 1 0 395.503 3.610 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000563657404 894033611 /nfs/dbraw/zinc/03/36/11/894033611.db2.gz QQTXODPKWAILCU-INIZCTEOSA-N 1 0 389.931 3.790 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)C[C@H](C)O1 ZINC000563657486 894034888 /nfs/dbraw/zinc/03/48/88/894034888.db2.gz RSISQRYMIWHALH-MFEFFIJZSA-N 1 0 389.499 3.585 20 30 GHEDRO CCc1ccc(C#CC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000815609999 894042426 /nfs/dbraw/zinc/04/24/26/894042426.db2.gz ZBJRJVDVSZGIFG-HXUWFJFHSA-N 1 0 390.527 3.617 20 30 GHEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H](OC1CCOCC1)c1ccccc1 ZINC000563682833 894064338 /nfs/dbraw/zinc/06/43/38/894064338.db2.gz JJBLCJHJEDLAQA-SBUREZEXSA-N 1 0 390.487 3.621 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000563780702 894184900 /nfs/dbraw/zinc/18/49/00/894184900.db2.gz LVANGGPMNVHMNF-UHFFFAOYSA-N 1 0 385.943 3.782 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000459767083 894190802 /nfs/dbraw/zinc/19/08/02/894190802.db2.gz FECKZBIQLCSZIG-LMNJBCLMSA-N 1 0 394.494 3.881 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000459789115 894203097 /nfs/dbraw/zinc/20/30/97/894203097.db2.gz RGDUWNQANQOZMG-KPFFTGBYSA-N 1 0 380.492 3.725 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(OC)cc2)cc1 ZINC000537027993 894235299 /nfs/dbraw/zinc/23/52/99/894235299.db2.gz ZMGQDWFUXSLQPS-KRWDZBQOSA-N 1 0 381.476 3.691 20 30 GHEDRO COc1ccc(C2([NH2+]CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)cc1 ZINC000537059751 894251834 /nfs/dbraw/zinc/25/18/34/894251834.db2.gz XGBMRPSTDKWGDD-UHFFFAOYSA-N 1 0 377.488 3.838 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022686772 894278154 /nfs/dbraw/zinc/27/81/54/894278154.db2.gz JWLRUEOAOCHTHE-UHFFFAOYSA-O 1 0 383.537 3.800 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000537104213 894314578 /nfs/dbraw/zinc/31/45/78/894314578.db2.gz MVCUHOFHEOQVHV-MRXNPFEDSA-N 1 0 383.517 3.976 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000537120516 894340887 /nfs/dbraw/zinc/34/08/87/894340887.db2.gz RWJRFTGKHZVJFN-FQEVSTJZSA-N 1 0 380.492 3.918 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1cccc(C)c1 ZINC000022798562 894408453 /nfs/dbraw/zinc/40/84/53/894408453.db2.gz DFKRDIAZNHZCFW-UHFFFAOYSA-O 1 0 384.481 3.604 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000564001249 894429057 /nfs/dbraw/zinc/42/90/57/894429057.db2.gz BHWFORIQBFTGBV-UWJYYQICSA-N 1 0 380.488 3.653 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000537158924 894437432 /nfs/dbraw/zinc/43/74/32/894437432.db2.gz VVEMEIPUMFISCS-QHCPKHFHSA-N 1 0 387.458 3.887 20 30 GHEDRO C[C@@H]1COCC[C@@H]1Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001170816263 894625694 /nfs/dbraw/zinc/62/56/94/894625694.db2.gz IKTPFAOZAIZDKD-KNQAVFIVSA-N 1 0 390.531 3.976 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000537320261 894768019 /nfs/dbraw/zinc/76/80/19/894768019.db2.gz FAUXQZCOUMMSEZ-TVRKMHQQSA-N 1 0 379.426 3.533 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000564419802 894958585 /nfs/dbraw/zinc/95/85/85/894958585.db2.gz QIDBFBFPDNLUOM-JOCHJYFZSA-N 1 0 395.528 3.510 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879408169 895038060 /nfs/dbraw/zinc/03/80/60/895038060.db2.gz UIHCHSQXVQKWOP-QAPCUYQASA-N 1 0 375.538 3.814 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(C(F)(F)F)c1 ZINC000564529518 895056628 /nfs/dbraw/zinc/05/66/28/895056628.db2.gz PNMFKCFLQGAHEW-HNNXBMFYSA-N 1 0 375.398 3.952 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cc1ccccc1 ZINC001135851839 895413777 /nfs/dbraw/zinc/41/37/77/895413777.db2.gz UESFUBIUBJKVPS-NRFANRHFSA-N 1 0 393.531 3.785 20 30 GHEDRO C[C@]12CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880021044 895455312 /nfs/dbraw/zinc/45/53/12/895455312.db2.gz WQCWLOYCWBYDOU-QPPBQGQZSA-N 1 0 399.498 3.562 20 30 GHEDRO C[C@@H]1C[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294884 895468522 /nfs/dbraw/zinc/46/85/22/895468522.db2.gz ZECVIENDEIGERD-CEXWTWQISA-N 1 0 393.572 3.958 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3c[nH]c4ccc(F)cc34)CC2)cc1 ZINC000565320918 895530136 /nfs/dbraw/zinc/53/01/36/895530136.db2.gz IRUCBFSYZQJLKC-UHFFFAOYSA-N 1 0 376.479 3.975 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000817365806 895568541 /nfs/dbraw/zinc/56/85/41/895568541.db2.gz VUTQMBZYIYIZAV-HNAYVOBHSA-N 1 0 395.507 3.525 20 30 GHEDRO C[C@@H]1CN(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@@]1(C)C[NH3+] ZINC000565647760 895784485 /nfs/dbraw/zinc/78/44/85/895784485.db2.gz LJKIKIYXMKAMPF-UZUQRXQVSA-N 1 0 394.494 3.736 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)s1 ZINC000817906051 895957530 /nfs/dbraw/zinc/95/75/30/895957530.db2.gz SJVJZCFFLSYVFD-INIZCTEOSA-N 1 0 390.557 3.814 20 30 GHEDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(N(C)CCC#N)cc3)C2)cc1 ZINC000818221886 896086795 /nfs/dbraw/zinc/08/67/95/896086795.db2.gz UWOPTYIJVGVIQX-FQEVSTJZSA-N 1 0 378.520 3.661 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000566120048 896121121 /nfs/dbraw/zinc/12/11/21/896121121.db2.gz FGUDYYDKSNJEHH-OYDLWJJNSA-N 1 0 376.500 3.980 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)Nc2cccc(CC#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000881149953 896200872 /nfs/dbraw/zinc/20/08/72/896200872.db2.gz GBEIOOSHIAVYSJ-IEBWSBKVSA-N 1 0 377.492 3.570 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000566407490 896293007 /nfs/dbraw/zinc/29/30/07/896293007.db2.gz MOZAIVHLPOCMQA-HARLFGEKSA-N 1 0 391.515 3.524 20 30 GHEDRO C=C(Br)C[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000818978983 896300509 /nfs/dbraw/zinc/30/05/09/896300509.db2.gz DKHKWNLWALFZTR-SFHVURJKSA-N 1 0 376.294 3.652 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)ccc1OC ZINC000819069275 896386568 /nfs/dbraw/zinc/38/65/68/896386568.db2.gz NSVKHEUZDRDMNF-YJBOKZPZSA-N 1 0 392.858 3.992 20 30 GHEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000566647359 896452712 /nfs/dbraw/zinc/45/27/12/896452712.db2.gz STHZVYSMWWYLQU-INIZCTEOSA-N 1 0 393.491 3.661 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCC[N@@H+](CC)C2)s1 ZINC000819199739 896471748 /nfs/dbraw/zinc/47/17/48/896471748.db2.gz YCDRCGNLGDLCIX-CQSZACIVSA-N 1 0 388.002 3.687 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000819205671 896478920 /nfs/dbraw/zinc/47/89/20/896478920.db2.gz ONLWZGAQWSTKEM-FQEVSTJZSA-N 1 0 395.503 3.591 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c(O)c1 ZINC000129360772 896601222 /nfs/dbraw/zinc/60/12/22/896601222.db2.gz WQGABOUKIWVBEQ-YZYPULCFSA-N 1 0 393.531 3.891 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(N3CCC([NH2+]Cc4ccccc4)CC3)n2)c1 ZINC000882413258 896796316 /nfs/dbraw/zinc/79/63/16/896796316.db2.gz JBXREAGFKVQYIT-UHFFFAOYSA-N 1 0 385.471 3.899 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)CCC(C)(C)C#N)cc2)C1 ZINC000567099964 896873906 /nfs/dbraw/zinc/87/39/06/896873906.db2.gz KJBCVXCOSNSBTL-HDICACEKSA-N 1 0 391.581 3.524 20 30 GHEDRO C[C@@]1(NC(=O)CSCc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000567171125 896933364 /nfs/dbraw/zinc/93/33/64/896933364.db2.gz WTRPWUMRNXJGRH-JOCHJYFZSA-N 1 0 379.529 3.572 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000567448047 897164983 /nfs/dbraw/zinc/16/49/83/897164983.db2.gz UKVVOAFMGHLKLL-PMXSJFBMSA-N 1 0 377.550 3.651 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 ZINC001136320211 897242108 /nfs/dbraw/zinc/24/21/08/897242108.db2.gz JGTJHLIALHCKAD-UHFFFAOYSA-N 1 0 391.519 3.558 20 30 GHEDRO COc1ccc(CCC[N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)cc1 ZINC000131075827 897311985 /nfs/dbraw/zinc/31/19/85/897311985.db2.gz FAOMRFIYEZWTHR-UHFFFAOYSA-N 1 0 375.476 3.656 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000567682930 897335717 /nfs/dbraw/zinc/33/57/17/897335717.db2.gz CHXGYGGNVKEBEF-IBGZPJMESA-N 1 0 393.512 3.714 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]([C@@H]2CCOC2)C1 ZINC000883222758 897382701 /nfs/dbraw/zinc/38/27/01/897382701.db2.gz ZTCQMECVPOMJOF-KZNAEPCWSA-N 1 0 379.545 3.568 20 30 GHEDRO N#CCOc1cccc(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000131258164 897387922 /nfs/dbraw/zinc/38/79/22/897387922.db2.gz OZBLMDPWANJLEZ-UHFFFAOYSA-N 1 0 399.494 3.629 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC=C(c2ccccn2)C1 ZINC000568410696 897816034 /nfs/dbraw/zinc/81/60/34/897816034.db2.gz VMSZJUSGAGKHFZ-QGZVFWFLSA-N 1 0 378.451 3.645 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC000821342252 897844754 /nfs/dbraw/zinc/84/47/54/897844754.db2.gz MFFRTJFPOLZWBB-RTWAWAEBSA-N 1 0 393.487 3.847 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000105284259 898205445 /nfs/dbraw/zinc/20/54/45/898205445.db2.gz KFCVQWUPAYJESQ-UHFFFAOYSA-N 1 0 393.531 3.541 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000569096654 898339042 /nfs/dbraw/zinc/33/90/42/898339042.db2.gz GYYGIHXHFWWUJL-MQSCRBSSSA-N 1 0 397.515 3.673 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000822452096 898381573 /nfs/dbraw/zinc/38/15/73/898381573.db2.gz UEJDDDHBCHVLTN-UYAOXDASSA-N 1 0 392.503 3.758 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@H]4CCc5cccc(F)c5C4)C3)CC2=O)c1 ZINC001170995048 898567367 /nfs/dbraw/zinc/56/73/67/898567367.db2.gz ABCWYRLXDQYHGR-CYFREDJKSA-N 1 0 389.474 3.684 20 30 GHEDRO Cc1cc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)ncc1C#N ZINC001136633649 898652401 /nfs/dbraw/zinc/65/24/01/898652401.db2.gz VISZLNCBHSRSRX-UHFFFAOYSA-N 1 0 390.531 3.726 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1Br ZINC000569462199 898685789 /nfs/dbraw/zinc/68/57/89/898685789.db2.gz YCIMNIZLFQZYHH-APHBMKBZSA-N 1 0 385.309 3.741 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(C)C ZINC001136650360 898757528 /nfs/dbraw/zinc/75/75/28/898757528.db2.gz XWBVJQUYBKVIMK-INIZCTEOSA-N 1 0 383.851 3.816 20 30 GHEDRO C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884088185 898837496 /nfs/dbraw/zinc/83/74/96/898837496.db2.gz ATGILHQHONFITP-PCQTWAEBSA-N 1 0 379.529 3.977 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1 ZINC001136669537 898841644 /nfs/dbraw/zinc/84/16/44/898841644.db2.gz HFDUCRZQXPQEBY-UHFFFAOYSA-N 1 0 379.504 3.677 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000826381029 898860358 /nfs/dbraw/zinc/86/03/58/898860358.db2.gz VKUCBLVJDKZCIX-UHFFFAOYSA-N 1 0 384.487 3.850 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)C2 ZINC000884122562 898973270 /nfs/dbraw/zinc/97/32/70/898973270.db2.gz UXNJHQQXSMLIAO-BOLVRDICSA-N 1 0 377.410 3.508 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cc1OCCCC#N ZINC000113351199 898988789 /nfs/dbraw/zinc/98/87/89/898988789.db2.gz JSEMZMXFMVRQMF-HNNXBMFYSA-N 1 0 382.464 3.719 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc(-n3cccn3)c2)ccc1OC ZINC000133794428 899004208 /nfs/dbraw/zinc/00/42/08/899004208.db2.gz DHMCKLMDVXCCEA-HXUWFJFHSA-N 1 0 376.460 3.852 20 30 GHEDRO CON=Cc1ccc(-c2nc(-c3ccc(OC4CC[NH2+]CC4)c(F)c3)no2)cc1 ZINC000823411987 899021335 /nfs/dbraw/zinc/02/13/35/899021335.db2.gz XYEDBIQROKHWBG-UHFFFAOYSA-N 1 0 396.422 3.654 20 30 GHEDRO CCN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000884145695 899077518 /nfs/dbraw/zinc/07/75/18/899077518.db2.gz QFOPXWOQYOSFCK-BDTLPFKBSA-N 1 0 379.426 3.754 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc(C#Cc3cccs3)c2)C[C@H](C)O1 ZINC000043996291 899085259 /nfs/dbraw/zinc/08/52/59/899085259.db2.gz DSTKZMBADXDCGL-HDICACEKSA-N 1 0 397.544 3.769 20 30 GHEDRO C=CC[C@]1(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CCCN1C(=O)OC(C)(C)C ZINC001136732845 899087923 /nfs/dbraw/zinc/08/79/23/899087923.db2.gz HRUJJNHWXSZOGX-PGRDOPGGSA-N 1 0 393.572 3.713 20 30 GHEDRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884172377 899182748 /nfs/dbraw/zinc/18/27/48/899182748.db2.gz UBAWUSGKBLGFEM-OMUIBUHPSA-N 1 0 378.303 3.578 20 30 GHEDRO C[C@H]1C[C@@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)CCN1C(=O)OC(C)(C)C ZINC000824339577 899540385 /nfs/dbraw/zinc/54/03/85/899540385.db2.gz XIEGBIUSMQFOGU-OALUTQOASA-N 1 0 398.551 3.974 20 30 GHEDRO C[NH+]=C(NCCc1cc(Cl)ccc1Br)NCc1c(C)noc1C ZINC000156414491 899746554 /nfs/dbraw/zinc/74/65/54/899746554.db2.gz XEWBUEJSSNUHQQ-UHFFFAOYSA-N 1 0 399.720 3.615 20 30 GHEDRO Cc1ccc(OCc2ccccc2)c(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1 ZINC000884323609 899795053 /nfs/dbraw/zinc/79/50/53/899795053.db2.gz UEXXWKSFTWLZAJ-FVRICEFQSA-N 1 0 375.472 3.652 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000571361410 899845425 /nfs/dbraw/zinc/84/54/25/899845425.db2.gz WMJBUQQETNJNKN-HKUYNNGSSA-N 1 0 393.491 3.549 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000571426507 899862388 /nfs/dbraw/zinc/86/23/88/899862388.db2.gz NRDMPXGLXVVLBM-HXUWFJFHSA-N 1 0 397.544 3.857 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1OCCCC#N ZINC000289866898 914391099 /nfs/dbraw/zinc/39/10/99/914391099.db2.gz VQCATLIFFBLARN-SFHVURJKSA-N 1 0 386.414 3.657 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C12CCCC2 ZINC000333038257 899912063 /nfs/dbraw/zinc/91/20/63/899912063.db2.gz BYTVEUXWVUWDGC-DOPJRALCSA-N 1 0 387.549 3.763 20 30 GHEDRO CC1([NH+]2CCCC2)CCC(N=Nc2nc(Br)cn3ccnc23)CC1 ZINC000884434173 900078860 /nfs/dbraw/zinc/07/88/60/900078860.db2.gz CRCNOBXJLTUWAG-UHFFFAOYSA-N 1 0 391.317 3.688 20 30 GHEDRO C=CCn1c(-c2ccncc2)nn(CN2CCC(CC)([NH+]3CCC3)CC2)c1=S ZINC000884476016 900123043 /nfs/dbraw/zinc/12/30/43/900123043.db2.gz ZNBZXMJAAAEYAN-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c(-c2ccc(C#N)cc2)n1 ZINC000289926725 914430822 /nfs/dbraw/zinc/43/08/22/914430822.db2.gz VUMXCPARXXXBAF-OAQYLSRUSA-N 1 0 378.501 3.598 20 30 GHEDRO COc1cc(CCC#N)c(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)cc1OC ZINC001171095418 900321268 /nfs/dbraw/zinc/32/12/68/900321268.db2.gz TWQWYPOXMXEJPL-MRXNPFEDSA-N 1 0 375.472 3.920 20 30 GHEDRO N#Cc1cccc(Cl)c1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001143722857 900442222 /nfs/dbraw/zinc/44/22/22/900442222.db2.gz JNAHROZLWGDPPL-MJGOQNOKSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171111471 900608604 /nfs/dbraw/zinc/60/86/04/900608604.db2.gz SEDGMEYKURAFKB-OAQYLSRUSA-N 1 0 393.918 3.963 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@H+]2CC(C)(C)Sc2ccc(Cl)cc2)C1=O ZINC001275516118 914460981 /nfs/dbraw/zinc/46/09/81/914460981.db2.gz TWMJOHYFLRWYSR-FQEVSTJZSA-N 1 0 376.953 3.911 20 30 GHEDRO CC(C)Cc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000136524353 900723420 /nfs/dbraw/zinc/72/34/20/900723420.db2.gz FYRXZSJYUDZPHN-LJQANCHMSA-O 1 0 397.564 3.738 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001171120819 900771039 /nfs/dbraw/zinc/77/10/39/900771039.db2.gz UIHRXFBMDVMBJY-IRXDYDNUSA-N 1 0 396.922 3.745 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365225 900775447 /nfs/dbraw/zinc/77/54/47/900775447.db2.gz CSMHVBGDKSZQGW-GOSISDBHSA-N 1 0 391.393 3.571 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000157776463 900819043 /nfs/dbraw/zinc/81/90/43/900819043.db2.gz PRHFUELPBPTKHX-UHFFFAOYSA-N 1 0 398.429 3.743 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCc2ccccc21 ZINC000844425041 900827664 /nfs/dbraw/zinc/82/76/64/900827664.db2.gz NTTGTUWIAJGOED-OXJNMPFZSA-N 1 0 382.467 3.885 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1OCCCC#N ZINC000290021005 914484101 /nfs/dbraw/zinc/48/41/01/914484101.db2.gz ZPKYZSKZNKEGJX-NZQKXSOJSA-N 1 0 380.488 3.634 20 30 GHEDRO CC(C)(C)OC(=O)NCCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000844443146 900866245 /nfs/dbraw/zinc/86/62/45/900866245.db2.gz HGEXCEVCEZCQBA-UHFFFAOYSA-N 1 0 379.545 3.714 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCSCC#N)C1 ZINC000844459970 900888609 /nfs/dbraw/zinc/88/86/09/900888609.db2.gz MXPGZGYJTNWJQR-SQNIBIBYSA-N 1 0 397.585 3.560 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CCOCC1 ZINC000886381707 900968509 /nfs/dbraw/zinc/96/85/09/900968509.db2.gz OPYVKEWQSXRMGV-UHFFFAOYSA-N 1 0 395.499 3.945 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001144075908 901040380 /nfs/dbraw/zinc/04/03/80/901040380.db2.gz UYTPXKYCVMVCLQ-VQTJNVASSA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NCCCCC(F)(F)F)CC2)c1 ZINC000844597489 901063306 /nfs/dbraw/zinc/06/33/06/901063306.db2.gz YLEYHAYYFFANJY-UHFFFAOYSA-N 1 0 398.498 3.719 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COC(=O)Cc2ccccc2CC#N)O1 ZINC000778892878 901131793 /nfs/dbraw/zinc/13/17/93/901131793.db2.gz RIBJYJDEMFKMQX-JOCHJYFZSA-N 1 0 392.499 3.518 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000575146102 901136711 /nfs/dbraw/zinc/13/67/11/901136711.db2.gz KITCWDCNBXLTKN-PGRDOPGGSA-N 1 0 389.499 3.836 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)nc1 ZINC001144157490 901167926 /nfs/dbraw/zinc/16/79/26/901167926.db2.gz LAKJNTPELYRRMY-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO C#CCN(C(=O)CCc1ccccc1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886577380 901174947 /nfs/dbraw/zinc/17/49/47/901174947.db2.gz GODXNGXTNVBTOK-UHFFFAOYSA-N 1 0 399.535 3.522 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2)cn1)C1CC[NH+](C)CC1 ZINC000886574823 901175385 /nfs/dbraw/zinc/17/53/85/901175385.db2.gz VDTAJBHEDKBOMZ-UHFFFAOYSA-N 1 0 383.879 3.697 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)C1CC[NH+](C)CC1 ZINC000886579926 901176136 /nfs/dbraw/zinc/17/61/36/901176136.db2.gz NNOXONZQGCXXED-UHFFFAOYSA-N 1 0 390.483 3.851 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000844711849 901190372 /nfs/dbraw/zinc/19/03/72/901190372.db2.gz BRTXFLSLFMZIHJ-NRFANRHFSA-N 1 0 398.551 3.512 20 30 GHEDRO CSc1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1C#N ZINC000886688425 901228209 /nfs/dbraw/zinc/22/82/09/901228209.db2.gz RBYQQHBHIOMYGK-CYBMUJFWSA-N 1 0 375.519 3.502 20 30 GHEDRO C=CCC1(O)CC[NH+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000886774626 901266061 /nfs/dbraw/zinc/26/60/61/901266061.db2.gz RJIWIKGXSAQULC-JOCHJYFZSA-N 1 0 396.556 3.625 20 30 GHEDRO Cc1cc(Br)cc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1 ZINC001144218410 901279463 /nfs/dbraw/zinc/27/94/63/901279463.db2.gz LVRBXMBYFQWZGS-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)c1ccc(Br)s1)C(C)C ZINC001144204283 901281978 /nfs/dbraw/zinc/28/19/78/901281978.db2.gz NEFJHNKATHUEJO-CYBMUJFWSA-N 1 0 399.354 3.508 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)c2)cc1 ZINC000886932768 901333676 /nfs/dbraw/zinc/33/36/76/901333676.db2.gz NXXDMZKSLURIIZ-OAHLLOKOSA-N 1 0 386.402 3.717 20 30 GHEDRO CCCCCCCCCS(=O)(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000844824910 901343875 /nfs/dbraw/zinc/34/38/75/901343875.db2.gz FVPHKCZUQJDJFD-UHFFFAOYSA-N 1 0 384.590 3.951 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CCOCC1 ZINC000887124772 901447253 /nfs/dbraw/zinc/44/72/53/901447253.db2.gz SNYZSXNDTFNWMH-HSZRJFAPSA-N 1 0 394.490 3.536 20 30 GHEDRO Cn1cnnc1C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000091795447 901457492 /nfs/dbraw/zinc/45/74/92/901457492.db2.gz IAOTZITXUZCFHP-UHFFFAOYSA-N 1 0 387.487 3.645 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c(C#N)c1C ZINC000290145354 914545187 /nfs/dbraw/zinc/54/51/87/914545187.db2.gz NCSHFDQPYKUSLW-FOIQADDNSA-N 1 0 393.487 3.779 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000576058988 901630757 /nfs/dbraw/zinc/63/07/57/901630757.db2.gz JPILOYUVMLZJRT-FQEVSTJZSA-N 1 0 391.450 3.548 20 30 GHEDRO CC1(C)Cc2cc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)ccc2O1 ZINC000845004510 901636824 /nfs/dbraw/zinc/63/68/24/901636824.db2.gz UIJLESAKRNUALP-UHFFFAOYSA-N 1 0 389.499 3.666 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1C#N ZINC000122709534 901828214 /nfs/dbraw/zinc/82/82/14/901828214.db2.gz UHAZMQIIMHPJQP-GAJHUEQPSA-N 1 0 380.488 3.982 20 30 GHEDRO N#CC1(NC(=O)N[C@@H]2CCCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001186483391 914569703 /nfs/dbraw/zinc/56/97/03/914569703.db2.gz WOZGIIQVXCQRPX-JOCHJYFZSA-N 1 0 388.515 3.922 20 30 GHEDRO C[C@@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000123133552 901901208 /nfs/dbraw/zinc/90/12/08/901901208.db2.gz NYPXODZQGUWGFU-UZLBHIALSA-N 1 0 390.443 3.650 20 30 GHEDRO CC1(C#N)CCC([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)CC1 ZINC000576308679 901933980 /nfs/dbraw/zinc/93/39/80/901933980.db2.gz PGZYQIILKPAGHG-UHFFFAOYSA-N 1 0 377.492 3.965 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144386897 901977177 /nfs/dbraw/zinc/97/71/77/901977177.db2.gz HFRUIXCWVQTIJF-IBGZPJMESA-N 1 0 382.426 3.944 20 30 GHEDRO COc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1OCCCC#N ZINC000290235339 914588743 /nfs/dbraw/zinc/58/87/43/914588743.db2.gz YWLIUXYYPWEYKF-HXUWFJFHSA-N 1 0 385.483 3.909 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000333417419 902075424 /nfs/dbraw/zinc/07/54/24/902075424.db2.gz HMGDXVKNJHAYLN-YZDRJCRTSA-N 1 0 396.535 3.516 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c(C#N)c1C ZINC000333432195 902083617 /nfs/dbraw/zinc/08/36/17/902083617.db2.gz JVERZHXPHTUVHJ-ZFKCKOODSA-N 1 0 389.565 3.827 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)c1ccc(Br)c(F)c1 ZINC001171185254 902175826 /nfs/dbraw/zinc/17/58/26/902175826.db2.gz PHBATNGQFVLRSA-GFCCVEGCSA-N 1 0 375.241 3.863 20 30 GHEDRO Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)Nc3ccc(C#N)cc3)C2)s1 ZINC000576788920 902263358 /nfs/dbraw/zinc/26/33/58/902263358.db2.gz CCOQYSWXLOPNCI-LJQANCHMSA-N 1 0 396.560 3.711 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)cc1 ZINC001144569136 902399512 /nfs/dbraw/zinc/39/95/12/902399512.db2.gz LDBWMNOKJWUTDQ-BJKOFHAPSA-N 1 0 376.500 3.651 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CCOC1 ZINC000577201721 902584993 /nfs/dbraw/zinc/58/49/93/902584993.db2.gz KBDHMLBLKJSTBG-HUUCEWRRSA-N 1 0 375.538 3.572 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001171211266 902646874 /nfs/dbraw/zinc/64/68/74/902646874.db2.gz BWFJKUDDKDQYKV-KOSHJBKYSA-N 1 0 391.490 3.753 20 30 GHEDRO N#C[C@H](C(=O)C[N@H+](CC1CC1)C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000263929542 902690129 /nfs/dbraw/zinc/69/01/29/902690129.db2.gz JPEHLFJUIKCLPP-GOSISDBHSA-N 1 0 378.476 3.556 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001171211703 902693931 /nfs/dbraw/zinc/69/39/31/902693931.db2.gz GOTFRAMYUGMKQH-LWZKNFMGSA-N 1 0 391.515 3.723 20 30 GHEDRO O=C(/C=C/C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccccc1 ZINC001144707646 902711164 /nfs/dbraw/zinc/71/11/64/902711164.db2.gz BUMFERCKXVTQHV-LTQCGIQUSA-N 1 0 390.527 3.847 20 30 GHEDRO CN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577370302 902717926 /nfs/dbraw/zinc/71/79/26/902717926.db2.gz CZDLIRPXEAPFKI-JTHBVZDNSA-N 1 0 388.515 3.852 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001171216010 902721408 /nfs/dbraw/zinc/72/14/08/902721408.db2.gz FTBPPAPMKUCUKE-CVDCTZTESA-N 1 0 391.515 3.725 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cc(OC)c1OCC(F)F ZINC000577406325 902747089 /nfs/dbraw/zinc/74/70/89/902747089.db2.gz ZULOGBMIGPSNFW-UHFFFAOYSA-N 1 0 376.403 3.851 20 30 GHEDRO C[NH+](C)CCCCCCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264040473 902797445 /nfs/dbraw/zinc/79/74/45/902797445.db2.gz FZCXUHUYXUZNGX-UHFFFAOYSA-N 1 0 386.540 3.623 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC001171218680 902820537 /nfs/dbraw/zinc/82/05/37/902820537.db2.gz VWRUJCTZNPCPGY-WMZHIEFXSA-N 1 0 387.527 3.970 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC001171218676 902820929 /nfs/dbraw/zinc/82/09/29/902820929.db2.gz VWRUJCTZNPCPGY-CVDCTZTESA-N 1 0 387.527 3.970 20 30 GHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000577496507 902822882 /nfs/dbraw/zinc/82/28/82/902822882.db2.gz JNLWHHUZGUHRKR-UHFFFAOYSA-N 1 0 391.924 3.517 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CCC(c2ccccc2)c2ccccc2)CCOCC1 ZINC000600713092 902837030 /nfs/dbraw/zinc/83/70/30/902837030.db2.gz DQHFJGNOJAUFLF-JOCHJYFZSA-N 1 0 378.516 3.870 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000600725543 902847757 /nfs/dbraw/zinc/84/77/57/902847757.db2.gz CLCOASQZSWWGEA-OAHLLOKOSA-N 1 0 381.423 3.973 20 30 GHEDRO Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c(O[C@H](C)CC(C)C)c1 ZINC000600728711 902850338 /nfs/dbraw/zinc/85/03/38/902850338.db2.gz BHKNRBOKKNHKOT-TZIWHRDSSA-N 1 0 388.552 3.969 20 30 GHEDRO COC(=O)c1ccc(OC2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171221076 902882131 /nfs/dbraw/zinc/88/21/31/902882131.db2.gz IACUQTBOCCISKL-KRWDZBQOSA-N 1 0 378.472 3.819 20 30 GHEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000543739643 903163736 /nfs/dbraw/zinc/16/37/36/903163736.db2.gz LWTOBMMNWYTKEA-SXSPYAJSSA-N 1 0 394.563 3.686 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264524537 903169974 /nfs/dbraw/zinc/16/99/74/903169974.db2.gz XALOSEPUUXXYPO-OAQYLSRUSA-N 1 0 396.535 3.593 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)nc(C2CC2)c1 ZINC000846819579 903238630 /nfs/dbraw/zinc/23/86/30/903238630.db2.gz AYOJNPKCTAGEFU-UHFFFAOYSA-N 1 0 382.895 3.688 20 30 GHEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000601125330 903361281 /nfs/dbraw/zinc/36/12/81/903361281.db2.gz ZYCGVISIRQIGTA-QGZVFWFLSA-N 1 0 377.897 3.512 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000775040098 914715998 /nfs/dbraw/zinc/71/59/98/914715998.db2.gz PNFDZGMASXEJTF-PKOBYXMFSA-N 1 0 386.540 3.914 20 30 GHEDRO C=CCCCCCCCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000806079382 903456686 /nfs/dbraw/zinc/45/66/86/903456686.db2.gz ZSJBROMRQUGWMT-CBQGHPETSA-N 1 0 390.616 3.856 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCCO1 ZINC000578210568 903615541 /nfs/dbraw/zinc/61/55/41/903615541.db2.gz OJKWNKKQAQNUIV-QAPCUYQASA-N 1 0 389.565 3.820 20 30 GHEDRO N#CC(CC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1)(c1ccccc1)c1ccccc1 ZINC000578332858 903741228 /nfs/dbraw/zinc/74/12/28/903741228.db2.gz IFTBQSRXCQRAQT-FQEVSTJZSA-N 1 0 397.526 3.969 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C2)C1=O ZINC001171312175 903834610 /nfs/dbraw/zinc/83/46/10/903834610.db2.gz QUEARKLAIVRBSO-AOMKIAJQSA-N 1 0 388.939 3.706 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c(F)c1F ZINC001186737625 914755589 /nfs/dbraw/zinc/75/55/89/914755589.db2.gz NDXWFMHYIXZOEP-UHFFFAOYSA-N 1 0 393.384 3.765 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000772984516 903863663 /nfs/dbraw/zinc/86/36/63/903863663.db2.gz OEPDDQHXYRZREG-DNVCBOLYSA-N 1 0 396.447 3.783 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000150802009 904025585 /nfs/dbraw/zinc/02/55/85/904025585.db2.gz LILWMABWEDPFPQ-LJQANCHMSA-N 1 0 393.487 3.821 20 30 GHEDRO C=CCn1c(-c2cnccn2)nn(CN2C[C@@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000159865467 904246911 /nfs/dbraw/zinc/24/69/11/904246911.db2.gz SNNSIISOBFBWJL-WMZOPIPTSA-N 1 0 392.532 3.893 20 30 GHEDRO Cc1cc(-c2noc(CO/[NH+]=C/c3ccc(N4CCOCC4)cc3)n2)ccc1F ZINC000152649113 904288982 /nfs/dbraw/zinc/28/89/82/904288982.db2.gz YMTRNIZHXAHTMD-YDZHTSKRSA-N 1 0 396.422 3.571 20 30 GHEDRO Cc1ccc(NC(=O)[C@H](C)O/[NH+]=C/c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000153612354 904382313 /nfs/dbraw/zinc/38/23/13/904382313.db2.gz XBUODOJZLFPYOI-FSTGKYBXSA-N 1 0 381.476 3.518 20 30 GHEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000889091665 904430432 /nfs/dbraw/zinc/43/04/32/904430432.db2.gz YWSQGGRWBKJSLX-NQIIRXRSSA-N 1 0 377.492 3.737 20 30 GHEDRO [NH2+]=C(NCc1cccc(Cn2cccn2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104177340 904548793 /nfs/dbraw/zinc/54/87/93/904548793.db2.gz LEEPPSGWEQELHY-UHFFFAOYSA-N 1 0 389.381 3.757 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540624 904767083 /nfs/dbraw/zinc/76/70/83/904767083.db2.gz UMAWWFMOYPCTDB-CKJXQJPGSA-N 1 0 381.438 3.787 20 30 GHEDRO C=CCN1CCC[C@@H]([NH2+][C@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1=O ZINC001171816053 905074677 /nfs/dbraw/zinc/07/46/77/905074677.db2.gz BQGDBXVNMQWNOF-FCGDIQPGSA-N 1 0 393.572 3.710 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](NC(=[NH2+])c2ccc(Cl)cn2)CC12CCC2 ZINC001171833642 905084155 /nfs/dbraw/zinc/08/41/55/905084155.db2.gz MINZVFQETHLUSM-CQSZACIVSA-N 1 0 378.904 3.763 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000173886266 905154894 /nfs/dbraw/zinc/15/48/94/905154894.db2.gz XLLVPHCLHLZGJL-IAGOWNOFSA-N 1 0 378.476 3.631 20 30 GHEDRO C[C@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC000174107238 905204324 /nfs/dbraw/zinc/20/43/24/905204324.db2.gz RGXXBSAZLCZEEE-CSUZIONRSA-N 1 0 392.459 3.609 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171980318 905232210 /nfs/dbraw/zinc/23/22/10/905232210.db2.gz IESJVUVXTZDDMQ-WIOPSUGQSA-N 1 0 395.591 3.930 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1ccccc1C#N)C2 ZINC001172093480 905316494 /nfs/dbraw/zinc/31/64/94/905316494.db2.gz HHAFQTBFOXLJSW-LDLYASANSA-N 1 0 385.508 3.847 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCc3ccccc3OC2)cc1C ZINC000801575542 921144151 /nfs/dbraw/zinc/14/41/51/921144151.db2.gz JZZNYCGLEKPKGT-FQEVSTJZSA-N 1 0 377.488 3.534 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCc3ccccc3OC2)c1C ZINC000801576329 921145692 /nfs/dbraw/zinc/14/56/92/921145692.db2.gz YOWDFZZBCLPSLL-HXUWFJFHSA-N 1 0 377.488 3.534 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1F ZINC001172302576 905455440 /nfs/dbraw/zinc/45/54/40/905455440.db2.gz MCFGEBNLYRSTDP-MNEFBYGVSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001172307985 905465260 /nfs/dbraw/zinc/46/52/60/905465260.db2.gz RWDXRBDTCSVRAQ-WAIKUNEKSA-N 1 0 395.453 3.896 20 30 GHEDRO COC(=O)c1cccc(CNC2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172312997 905469016 /nfs/dbraw/zinc/46/90/16/905469016.db2.gz NKSSSARDTOZXDC-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001172477818 905555993 /nfs/dbraw/zinc/55/59/93/905555993.db2.gz ALDUABUBVZIMAM-GOSISDBHSA-N 1 0 386.540 3.916 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]CC[C@H]1CCOC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172481227 905558534 /nfs/dbraw/zinc/55/85/34/905558534.db2.gz RBOIRMPWIPCDTI-ROUUACIJSA-N 1 0 379.545 3.855 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001172488361 905596366 /nfs/dbraw/zinc/59/63/66/905596366.db2.gz LXHROBDMAUJCDC-CQSZACIVSA-N 1 0 378.314 3.726 20 30 GHEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001172495153 905598197 /nfs/dbraw/zinc/59/81/97/905598197.db2.gz NELOQZMCCPIPSF-QRWLVFNGSA-N 1 0 388.899 3.972 20 30 GHEDRO C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172563855 905627467 /nfs/dbraw/zinc/62/74/67/905627467.db2.gz PPFPCGMJJZFUGO-AKFKNWHVSA-N 1 0 381.564 3.506 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000801602270 921180013 /nfs/dbraw/zinc/18/00/13/921180013.db2.gz ZCFACLOFABVBSO-ACDBMABISA-N 1 0 384.483 3.831 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCC[C@H](C(=O)OC)CC3)C2)CC1 ZINC001172785611 905826071 /nfs/dbraw/zinc/82/60/71/905826071.db2.gz ZAFKKBAZASSXGY-RBUKOAKNSA-N 1 0 392.540 3.609 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001172797980 905870615 /nfs/dbraw/zinc/87/06/15/905870615.db2.gz KGFKAFJRAHAVNT-KLHJMIIUSA-N 1 0 395.503 3.816 20 30 GHEDRO CC(C)c1noc(-c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)n1 ZINC000176559340 905873518 /nfs/dbraw/zinc/87/35/18/905873518.db2.gz CYONZRWEJJPJGT-UHFFFAOYSA-N 1 0 384.484 3.559 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC000176802758 905935744 /nfs/dbraw/zinc/93/57/44/905935744.db2.gz FYAVDXCTRBJFSO-HNNXBMFYSA-N 1 0 389.496 3.579 20 30 GHEDRO CN(CCOc1ccc(C(F)(F)F)cc1)CC(=O)Nc1sccc1C#N ZINC000190372995 905999372 /nfs/dbraw/zinc/99/93/72/905999372.db2.gz KKLMCDHWYHSSRI-UHFFFAOYSA-N 1 0 383.395 3.588 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2cc(CCC[NH3+])c3ccccc32)C[C@H]1C#N ZINC001172969124 906030904 /nfs/dbraw/zinc/03/09/04/906030904.db2.gz SXWNKQDLFNNINW-ROUUACIJSA-N 1 0 382.508 3.997 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C[C@H]1C#N ZINC001172971157 906033537 /nfs/dbraw/zinc/03/35/37/906033537.db2.gz MPJDPEIVOKRBRE-CABCVRRESA-N 1 0 399.413 3.966 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCOc2ccc(Cl)cc2)C[C@H]1C#N ZINC001172971960 906035013 /nfs/dbraw/zinc/03/50/13/906035013.db2.gz VFWGDDGBDCKVDB-IRXDYDNUSA-N 1 0 393.915 3.990 20 30 GHEDRO COc1ccccc1C1([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCC1 ZINC001172974190 906039446 /nfs/dbraw/zinc/03/94/46/906039446.db2.gz LXFFORHSTVMNFE-IRXDYDNUSA-N 1 0 385.508 3.956 20 30 GHEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172977658 906044448 /nfs/dbraw/zinc/04/44/48/906044448.db2.gz DLJLOONSMVIXBD-KYNGSXCRSA-N 1 0 386.496 3.587 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ncccn3)cc2)C[C@H]1C#N ZINC001172978355 906046111 /nfs/dbraw/zinc/04/61/11/906046111.db2.gz PHGWSVXNVPADQL-MOPGFXCFSA-N 1 0 393.491 3.525 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C[C@H]1C#N ZINC001172978561 906046167 /nfs/dbraw/zinc/04/61/67/906046167.db2.gz NOZOJZSTCUGQPU-KSZLIROESA-N 1 0 375.900 3.688 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)cc1 ZINC001172990681 906049408 /nfs/dbraw/zinc/04/94/08/906049408.db2.gz QJKVSQKFYQKGDF-QYZOEREBSA-N 1 0 385.508 3.776 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccccc2)C2CCOCC2)C[C@H]1C#N ZINC001172984484 906050200 /nfs/dbraw/zinc/05/02/00/906050200.db2.gz LORRXTRUKWYPFG-RTWAWAEBSA-N 1 0 399.535 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](OCc3ccccc3)C2)C[C@H]1C#N ZINC001172986778 906051750 /nfs/dbraw/zinc/05/17/50/906051750.db2.gz YIFLJRIHNIAJJC-AABGKKOBSA-N 1 0 385.508 3.569 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](OCc3ccccc3)C2)C[C@H]1C#N ZINC001172986781 906052231 /nfs/dbraw/zinc/05/22/31/906052231.db2.gz YIFLJRIHNIAJJC-UFYCRDLUSA-N 1 0 385.508 3.569 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(Cc4ccccc4O3)CC2)C[C@H]1C#N ZINC001172989692 906053962 /nfs/dbraw/zinc/05/39/62/906053962.db2.gz JNCIFSUFGDYQQE-OALUTQOASA-N 1 0 397.519 3.748 20 30 GHEDRO COc1cccc([C@H]2CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)c1 ZINC001172990912 906102047 /nfs/dbraw/zinc/10/20/47/906102047.db2.gz SHTDQDPAWPGQSR-OTWHNJEPSA-N 1 0 385.508 3.776 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N(CCC)C(C)C)CC1 ZINC000178417894 906338170 /nfs/dbraw/zinc/33/81/70/906338170.db2.gz SDWMZXHCMSTHSD-UHFFFAOYSA-N 1 0 386.540 3.719 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CC1 ZINC001173321565 906371118 /nfs/dbraw/zinc/37/11/18/906371118.db2.gz PDUIEHHTYDEHRN-JGJHQIRSSA-N 1 0 398.547 3.554 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)CC1 ZINC001173323901 906372279 /nfs/dbraw/zinc/37/22/79/906372279.db2.gz IOUVRBGWBNINBM-ZSTXGWIISA-N 1 0 386.536 3.736 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC001173322871 906372317 /nfs/dbraw/zinc/37/23/17/906372317.db2.gz OGZWTJKQVFGVKB-XEVCZEQESA-N 1 0 377.550 3.783 20 30 GHEDRO C=CCOC1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC[NH2+]CC2)CC1 ZINC001173323375 906372645 /nfs/dbraw/zinc/37/26/45/906372645.db2.gz FEIYXCLTXRFCCZ-UHFFFAOYSA-N 1 0 384.446 3.568 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H](C[NH2+]C3CCC(CC#N)CC3)CO2)C1 ZINC001173325585 906373535 /nfs/dbraw/zinc/37/35/35/906373535.db2.gz KXCZJHMRUJIDEA-PJEKJXDBSA-N 1 0 391.556 3.855 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)CC1 ZINC001173332479 906376282 /nfs/dbraw/zinc/37/62/82/906376282.db2.gz ABWKBBOGRYBQJV-VWDUAXENSA-N 1 0 383.536 3.942 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC1 ZINC001173335789 906379062 /nfs/dbraw/zinc/37/90/62/906379062.db2.gz YLXBQALESJWUBG-RKOYOZNISA-N 1 0 380.492 3.708 20 30 GHEDRO COc1ccc(CN2CC[C@@]3(CCC[N@@H+](C4CCC(CC#N)CC4)C3)C2=O)cc1 ZINC001173336111 906379193 /nfs/dbraw/zinc/37/91/93/906379193.db2.gz NSMGGNHKCIILPR-NFDBJIOVSA-N 1 0 395.547 3.982 20 30 GHEDRO C=CCOC1CCC([NH2+][C@H]2Cc3ccc(I)cc3C2)CC1 ZINC001173314972 906387043 /nfs/dbraw/zinc/38/70/43/906387043.db2.gz YCBMOYHCUCOKSI-ADKAHSJRSA-N 1 0 397.300 3.862 20 30 GHEDRO C=CCOC1CCC([NH2+][C@@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001173314175 906387372 /nfs/dbraw/zinc/38/73/72/906387372.db2.gz LGFMVRJRXPQFNT-HKDCCESQSA-N 1 0 394.556 3.648 20 30 GHEDRO C=CCOC1CCC(N[C@@H](CSCc2ccccc2)C(=O)OCC)CC1 ZINC001173317100 906389253 /nfs/dbraw/zinc/38/92/53/906389253.db2.gz AVWWLBONGWDJLG-MHJFOBGBSA-N 1 0 377.550 3.955 20 30 GHEDRO C#Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC001173391383 906418105 /nfs/dbraw/zinc/41/81/05/906418105.db2.gz KRCTWHUDNODHKP-UHFFFAOYSA-N 1 0 397.316 3.825 20 30 GHEDRO N#Cc1ccccc1OCCC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173415949 906445633 /nfs/dbraw/zinc/44/56/33/906445633.db2.gz RDQVWTVGMNCGNI-UHFFFAOYSA-N 1 0 397.906 3.875 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(F)c(Cl)c3F)CC2)cc1 ZINC001173423649 906458563 /nfs/dbraw/zinc/45/85/63/906458563.db2.gz AUXURXBBUBZJOU-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccc(N(C)C)cc1 ZINC001173424111 906460323 /nfs/dbraw/zinc/46/03/23/906460323.db2.gz CUCCWVREGPUDHQ-KRWDZBQOSA-N 1 0 376.504 3.580 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(Cl)c(F)cc3F)CC2)cc1 ZINC001173425638 906461662 /nfs/dbraw/zinc/46/16/62/906461662.db2.gz ALYYPVYUOSOEQC-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO COc1cc(C)c(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1C ZINC001173426579 906463576 /nfs/dbraw/zinc/46/35/76/906463576.db2.gz BUOQSJLBYQWEEY-UHFFFAOYSA-N 1 0 377.488 3.578 20 30 GHEDRO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173514404 906521866 /nfs/dbraw/zinc/52/18/66/906521866.db2.gz MRWBKJHQYHBFCJ-RTWAWAEBSA-N 1 0 384.520 3.654 20 30 GHEDRO CC1(C#N)CCC([NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)CC1 ZINC001173593539 906546835 /nfs/dbraw/zinc/54/68/35/906546835.db2.gz KRQDGXISQFYIJM-UHFFFAOYSA-N 1 0 392.551 3.981 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@@H]2Cc3ccc(I)cc3C2)CC1 ZINC001173589284 906547189 /nfs/dbraw/zinc/54/71/89/906547189.db2.gz ZXMQONOJZMOVOA-AQFXKWCLSA-N 1 0 380.273 3.820 20 30 GHEDRO COCCC1([NH2+]C2CCC(C)(C#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001173590679 906547441 /nfs/dbraw/zinc/54/74/41/906547441.db2.gz FIONBXOUTQJAPF-UHFFFAOYSA-N 1 0 379.545 3.855 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC(NC1(C#N)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001173607077 906560140 /nfs/dbraw/zinc/56/01/40/906560140.db2.gz UCIGRAPHBKGADR-WQMHRJNTSA-N 1 0 395.547 3.646 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)CC2 ZINC001173626261 906575902 /nfs/dbraw/zinc/57/59/02/906575902.db2.gz IFAAYKCHOZFUII-BLDKCIGBSA-N 1 0 382.504 3.913 20 30 GHEDRO CC(C)(CCC#N)C[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000179788900 906598770 /nfs/dbraw/zinc/59/87/70/906598770.db2.gz WLUITFPLOZGZTO-UHFFFAOYSA-N 1 0 387.553 3.678 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1=O ZINC001173701578 906651856 /nfs/dbraw/zinc/65/18/56/906651856.db2.gz BLKAYEICRDJTGY-UPVQGACJSA-N 1 0 390.527 3.890 20 30 GHEDRO N#CCC[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000180367008 906755160 /nfs/dbraw/zinc/75/51/60/906755160.db2.gz IIBYSVIQMFSEIK-NRFANRHFSA-N 1 0 377.492 3.642 20 30 GHEDRO C[C@@]1(CNC(=O)Nc2cccc(OCC#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000779404309 906805486 /nfs/dbraw/zinc/80/54/86/906805486.db2.gz RIKHKOGKSCWABS-QFIPXVFZSA-N 1 0 378.476 3.765 20 30 GHEDRO O=C(NCC[NH2+][C@H](CCCc1ccccc1)c1ccccc1)C1N=CC=CC1=O ZINC000180873903 906869052 /nfs/dbraw/zinc/86/90/52/906869052.db2.gz LBAOBBSTIXNTHG-STYZJACHSA-N 1 0 389.499 3.867 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000181393864 906989560 /nfs/dbraw/zinc/98/95/60/906989560.db2.gz UZMIFWWSXJVEBG-JOCHJYFZSA-N 1 0 378.520 3.542 20 30 GHEDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(OCC#N)cc1 ZINC000181496417 907014493 /nfs/dbraw/zinc/01/44/93/907014493.db2.gz FBIWLDLFFUYCEG-INIZCTEOSA-N 1 0 381.451 3.683 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(c3ccncc3)CC2)cc1C ZINC000191622674 907115483 /nfs/dbraw/zinc/11/54/83/907115483.db2.gz VYOPSSFXOLGWGU-UHFFFAOYSA-N 1 0 376.504 3.825 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cn2)cc1 ZINC001174793089 907209212 /nfs/dbraw/zinc/20/92/12/907209212.db2.gz SAEMEPKLTZOGPG-NRFANRHFSA-N 1 0 377.492 3.539 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(CN4CCCC4=O)cc3)CC2)cc1 ZINC000183102056 907327042 /nfs/dbraw/zinc/32/70/42/907327042.db2.gz AJKCJIIOGVDWMZ-UHFFFAOYSA-N 1 0 388.515 3.757 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(C)cc2)c1 ZINC001175035269 907346501 /nfs/dbraw/zinc/34/65/01/907346501.db2.gz DVDMGDGFVAJTHX-DEOSSOPVSA-N 1 0 389.499 3.722 20 30 GHEDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C ZINC000183354902 907372759 /nfs/dbraw/zinc/37/27/59/907372759.db2.gz DRBCSSWPIGLETC-CYBMUJFWSA-N 1 0 385.537 3.610 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)/C=C/c2ccccc2C#N)cc1 ZINC000779541800 907540966 /nfs/dbraw/zinc/54/09/66/907540966.db2.gz HCNAZZYWWBYDCP-KCQSEKJDSA-N 1 0 375.472 3.533 20 30 GHEDRO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1Br ZINC000192245070 907565530 /nfs/dbraw/zinc/56/55/30/907565530.db2.gz XSEMIVIUAPHXHL-LJQANCHMSA-N 1 0 398.304 3.520 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccccc3CC#N)cc2)C1 ZINC000777404869 907573083 /nfs/dbraw/zinc/57/30/83/907573083.db2.gz GTGFYGBWTGXETI-SFHVURJKSA-N 1 0 377.488 3.654 20 30 GHEDRO COc1cc(C#N)ccc1OCCN(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001175593326 907626857 /nfs/dbraw/zinc/62/68/57/907626857.db2.gz QEQHPOFQEJVOPZ-JOCHJYFZSA-N 1 0 393.531 3.932 20 30 GHEDRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000185742344 907828103 /nfs/dbraw/zinc/82/81/03/907828103.db2.gz UMEOHFFGACTMAX-UFYCRDLUSA-N 1 0 382.552 3.564 20 30 GHEDRO COc1ccccc1C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000185878037 907847907 /nfs/dbraw/zinc/84/79/07/907847907.db2.gz JABKWJJWOWCWHK-LJQANCHMSA-N 1 0 376.460 3.974 20 30 GHEDRO CC(C)NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc2c(c1)CCCC2 ZINC000192983012 908040605 /nfs/dbraw/zinc/04/06/05/908040605.db2.gz PXKRJHFOQMQAPU-UHFFFAOYSA-O 1 0 395.548 3.725 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC001176410629 908105790 /nfs/dbraw/zinc/10/57/90/908105790.db2.gz BLKSAFZNNKRYFN-TZIWHRDSSA-N 1 0 383.536 3.769 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOc1ccc(C#N)cc1)C2 ZINC001176864503 908279903 /nfs/dbraw/zinc/27/99/03/908279903.db2.gz LVKGKKJWSOPQBP-OTWHNJEPSA-N 1 0 385.508 3.705 20 30 GHEDRO C=CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000190003911 908399462 /nfs/dbraw/zinc/39/94/62/908399462.db2.gz FAQCACWPWPWZIG-QHCPKHFHSA-N 1 0 378.516 3.619 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622337 908509835 /nfs/dbraw/zinc/50/98/35/908509835.db2.gz LIMWBCZTZGNTNM-HXOBKFHXSA-N 1 0 399.498 3.504 20 30 GHEDRO C[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CCc2ccccc2C1 ZINC001177580469 908649898 /nfs/dbraw/zinc/64/98/98/908649898.db2.gz GLRFXEYLPWLQAJ-OAHLLOKOSA-N 1 0 384.321 3.857 20 30 GHEDRO C=CCN1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC001177683778 908696481 /nfs/dbraw/zinc/69/64/81/908696481.db2.gz UZEKQKLUJWQQET-UHFFFAOYSA-N 1 0 392.385 3.654 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2O)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634380928 908697746 /nfs/dbraw/zinc/69/77/46/908697746.db2.gz QQKUWEOMANJVKS-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001178017120 908852573 /nfs/dbraw/zinc/85/25/73/908852573.db2.gz SKCFHCWCYAOWLL-SFHVURJKSA-N 1 0 377.479 3.586 20 30 GHEDRO N#CCSc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001178157609 908914661 /nfs/dbraw/zinc/91/46/61/908914661.db2.gz KCFVOIYZIHWWTO-UXHICEINSA-N 1 0 391.540 3.896 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 ZINC000194971364 908946211 /nfs/dbraw/zinc/94/62/11/908946211.db2.gz BJJBMKPPDHHHMX-INIZCTEOSA-O 1 0 396.580 3.856 20 30 GHEDRO CC(C)c1cccc(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001178452506 909054010 /nfs/dbraw/zinc/05/40/10/909054010.db2.gz PXCFNNYDXISJQR-AQYVVDRMSA-N 1 0 390.531 3.918 20 30 GHEDRO C#CCCCCCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000779868298 909055464 /nfs/dbraw/zinc/05/54/64/909055464.db2.gz MQLZBQYPXPIUHP-UHFFFAOYSA-N 1 0 390.531 3.926 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC3(C2)CCOCC3)sc2c1CCCCC2 ZINC000266594558 909227261 /nfs/dbraw/zinc/22/72/61/909227261.db2.gz VJMWWJFAHHSHOE-UHFFFAOYSA-N 1 0 387.549 3.720 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cccc(CC#N)c2)ccc1OC ZINC000299587960 921484559 /nfs/dbraw/zinc/48/45/59/921484559.db2.gz UTDBCUAINXAYIP-UHFFFAOYSA-N 1 0 381.476 3.734 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000266750049 909288499 /nfs/dbraw/zinc/28/84/99/909288499.db2.gz NVCIWIIVOOGLDY-SFHVURJKSA-N 1 0 379.508 3.541 20 30 GHEDRO C#CCOc1ccc(Br)cc1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001179194666 909427332 /nfs/dbraw/zinc/42/73/32/909427332.db2.gz VXTLNPPRJHSTLQ-GOSISDBHSA-N 1 0 391.353 3.958 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC001179304825 909459059 /nfs/dbraw/zinc/45/90/59/909459059.db2.gz UNELZGICMNGZFT-UHFFFAOYSA-N 1 0 389.478 3.701 20 30 GHEDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3Br)C2)cc1 ZINC001179405722 909528240 /nfs/dbraw/zinc/52/82/40/909528240.db2.gz GRGFUBYHQCRBME-LJQANCHMSA-N 1 0 384.321 3.993 20 30 GHEDRO C=CCN(C)S(=O)(=O)c1ccc(NCc2[nH+]c(C(C)C)n3ccccc23)cc1 ZINC001179550087 909589663 /nfs/dbraw/zinc/58/96/63/909589663.db2.gz MYWJIUAEHUPEPB-UHFFFAOYSA-N 1 0 398.532 3.876 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)N[C@@H](C)CC)cc1 ZINC000299612175 921509035 /nfs/dbraw/zinc/50/90/35/921509035.db2.gz PGVCOIUQPQEFIH-HNNXBMFYSA-O 1 0 383.537 3.894 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000795333349 909962178 /nfs/dbraw/zinc/96/21/78/909962178.db2.gz NPPUAJMIJTXTEG-HOCLYGCPSA-N 1 0 385.851 3.799 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1S(=O)(=O)C(F)F ZINC000268803913 910024317 /nfs/dbraw/zinc/02/43/17/910024317.db2.gz LFMIWFPATWSVKS-STQMWFEESA-N 1 0 394.443 3.975 20 30 GHEDRO C[NH+]1CCC(N(C(=O)C2CCN(c3ccccc3C#N)CC2)C2CCCC2)CC1 ZINC001180508505 910217894 /nfs/dbraw/zinc/21/78/94/910217894.db2.gz ZBEIDFLBSFLZEK-UHFFFAOYSA-N 1 0 394.563 3.640 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1OC ZINC000246301224 910222641 /nfs/dbraw/zinc/22/26/41/910222641.db2.gz DCKQIMHWSKLULQ-HRSKYJMSSA-N 1 0 386.517 3.964 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)NCCSC)cc1 ZINC000269707575 910339407 /nfs/dbraw/zinc/33/94/07/910339407.db2.gz PEPUTKLXZIPLFI-UHFFFAOYSA-O 1 0 391.557 3.875 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000270195038 910476817 /nfs/dbraw/zinc/47/68/17/910476817.db2.gz IGCKWZYKTIWAMV-LEWJYISDSA-N 1 0 396.535 3.948 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001180989743 910493997 /nfs/dbraw/zinc/49/39/97/910493997.db2.gz OMAOFXAALMGBAF-SFHVURJKSA-N 1 0 393.572 3.618 20 30 GHEDRO CCCCCCC[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001181121221 910556112 /nfs/dbraw/zinc/55/61/12/910556112.db2.gz OASVPUMEKREOHO-LJQANCHMSA-N 1 0 375.557 3.736 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001181121111 910556548 /nfs/dbraw/zinc/55/65/48/910556548.db2.gz DOVPRUCOXCTYFK-IBGZPJMESA-N 1 0 392.588 3.690 20 30 GHEDRO COc1ccc(COCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000271512623 910937412 /nfs/dbraw/zinc/93/74/12/910937412.db2.gz MAECWYMUALCIOS-UHFFFAOYSA-N 1 0 390.487 3.779 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271696185 911018135 /nfs/dbraw/zinc/01/81/35/911018135.db2.gz SKLPYMJXEYNGBQ-MRXNPFEDSA-N 1 0 387.487 3.959 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC(OCc3ccccc3F)CC2)c(C#N)c1C ZINC000091863501 911306704 /nfs/dbraw/zinc/30/67/04/911306704.db2.gz KHMBNDHACHXUJX-HNNXBMFYSA-N 1 0 399.466 3.915 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(OCc3ccccc3F)CC2)c1 ZINC000091863217 911306910 /nfs/dbraw/zinc/30/69/10/911306910.db2.gz NIYZNZWAYXEMDM-UHFFFAOYSA-N 1 0 381.451 3.707 20 30 GHEDRO CC[C@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)c1ccc(C#N)cc1 ZINC000774110048 911398012 /nfs/dbraw/zinc/39/80/12/911398012.db2.gz BHLPBMBJOWUIBI-DEOSSOPVSA-N 1 0 392.547 3.820 20 30 GHEDRO N#Cc1cccc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001182340389 911510062 /nfs/dbraw/zinc/51/00/62/911510062.db2.gz LRQAGMGAZPRUBH-ZEQRLZLVSA-N 1 0 387.527 3.861 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001182397846 911571498 /nfs/dbraw/zinc/57/14/98/911571498.db2.gz YVMAKXSNYXDKNJ-QFIPXVFZSA-N 1 0 378.516 3.965 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)NC2(C)CC2)cc1 ZINC000283855051 911672023 /nfs/dbraw/zinc/67/20/23/911672023.db2.gz CBSYQSVJROPGIA-UHFFFAOYSA-O 1 0 385.557 3.692 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)ccc1OC ZINC000092662665 911688985 /nfs/dbraw/zinc/68/89/85/911688985.db2.gz CHDMFMZIYYVCMD-FQEVSTJZSA-N 1 0 375.509 3.810 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000774397863 911710461 /nfs/dbraw/zinc/71/04/61/911710461.db2.gz UPUIIKMRKAMTTK-HIFRSBDPSA-N 1 0 378.394 3.508 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000774485175 911792059 /nfs/dbraw/zinc/79/20/59/911792059.db2.gz SBXLTQQKGHVUBP-ZIAGYGMSSA-N 1 0 382.533 3.852 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNC(=O)[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001182800079 912030926 /nfs/dbraw/zinc/03/09/26/912030926.db2.gz LNFKYOZUEAUOOS-IERDGZPVSA-N 1 0 399.922 3.751 20 30 GHEDRO COCC[N@H+](C)[C@H](CNC(=O)[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001182800083 912031129 /nfs/dbraw/zinc/03/11/29/912031129.db2.gz LNFKYOZUEAUOOS-IIBYNOLFSA-N 1 0 399.922 3.751 20 30 GHEDRO CC#CCCCCCCCC(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001182772091 912039931 /nfs/dbraw/zinc/03/99/31/912039931.db2.gz QICXNWPBBXDHAD-UHFFFAOYSA-N 1 0 380.330 3.504 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cc2cc(Br)cc(F)c2cn1 ZINC001183038773 912211126 /nfs/dbraw/zinc/21/11/26/912211126.db2.gz IRQLRKJFPBXQOM-UHFFFAOYSA-N 1 0 378.245 3.727 20 30 GHEDRO N#Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000303544550 914905164 /nfs/dbraw/zinc/90/51/64/914905164.db2.gz IOMUVDXRFBHKSB-GOSISDBHSA-N 1 0 388.393 3.973 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O ZINC001275588661 915079116 /nfs/dbraw/zinc/07/91/16/915079116.db2.gz FHFGUIYGYSPRPZ-UHFFFAOYSA-N 1 0 377.326 3.840 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cnn(Cc3ccccc3)c2)c1 ZINC000303869405 915227209 /nfs/dbraw/zinc/22/72/09/915227209.db2.gz AWCKOQZASNLVTN-UHFFFAOYSA-N 1 0 393.491 3.656 20 30 GHEDRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])NCC3CCC3)c(C(F)(F)F)c2)n1 ZINC000303871307 915229290 /nfs/dbraw/zinc/22/92/90/915229290.db2.gz FUVAYGNKNDRWPR-UHFFFAOYSA-N 1 0 379.430 3.712 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000303878056 915236996 /nfs/dbraw/zinc/23/69/96/915236996.db2.gz IYAGCIUVAKEEAI-UHFFFAOYSA-N 1 0 389.297 3.821 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000291577950 915259164 /nfs/dbraw/zinc/25/91/64/915259164.db2.gz XESQTQMDXGAMDW-UHFFFAOYSA-N 1 0 379.508 3.658 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000303901123 915303594 /nfs/dbraw/zinc/30/35/94/915303594.db2.gz SMICTHFRGMQSBQ-SFHVURJKSA-N 1 0 380.536 3.959 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(OCc3ccccn3)cc2)c1 ZINC000303907159 915306894 /nfs/dbraw/zinc/30/68/94/915306894.db2.gz WPFPDGQBHAEZCX-UHFFFAOYSA-N 1 0 392.459 3.605 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000291740714 915342520 /nfs/dbraw/zinc/34/25/20/915342520.db2.gz OVMAVMSDFAFERW-AOMKIAJQSA-N 1 0 381.545 3.876 20 30 GHEDRO [NH2+]=C(NCCc1cccs1)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000303986989 915349143 /nfs/dbraw/zinc/34/91/43/915349143.db2.gz VBHYQWBNHZZBIM-UHFFFAOYSA-N 1 0 389.528 3.793 20 30 GHEDRO COc1ccccc1C1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCC1 ZINC000304480743 915523190 /nfs/dbraw/zinc/52/31/90/915523190.db2.gz IHJNCYGDYOCWMY-LJQANCHMSA-N 1 0 379.504 3.935 20 30 GHEDRO CC1CCN(c2ccc(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)cc2)CC1 ZINC000304757442 915672379 /nfs/dbraw/zinc/67/23/79/915672379.db2.gz OWHQRCIUPTZDTM-OAQYLSRUSA-N 1 0 378.520 3.851 20 30 GHEDRO [NH2+]=C(NCCc1cccs1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000304758630 915674222 /nfs/dbraw/zinc/67/42/22/915674222.db2.gz QFCZHKGCIRIRQJ-UHFFFAOYSA-N 1 0 377.941 3.597 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001188004631 915684006 /nfs/dbraw/zinc/68/40/06/915684006.db2.gz BEAAJPDYVGDWRE-RTWAWAEBSA-N 1 0 393.597 3.526 20 30 GHEDRO C[C@H](NC(=[NH2+])NCC[S@@](=O)Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000304762052 915700700 /nfs/dbraw/zinc/70/07/00/915700700.db2.gz VFARVPOHWPHZFU-ZJWNCGCPSA-N 1 0 398.359 3.908 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)C1 ZINC000292481742 915703624 /nfs/dbraw/zinc/70/36/24/915703624.db2.gz ANGBDLUEEVJTFE-JOCHJYFZSA-N 1 0 376.460 3.910 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC001275671351 915837480 /nfs/dbraw/zinc/83/74/80/915837480.db2.gz DBMALSDGXFMRTO-UHFFFAOYSA-N 1 0 377.891 3.987 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cccc(-c3cc[nH]n3)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001189028572 916381725 /nfs/dbraw/zinc/38/17/25/916381725.db2.gz LBPKULIKUWRBCD-HZCBDIJESA-N 1 0 399.498 3.861 20 30 GHEDRO COc1ccc(C#N)c(C(=O)Nc2c(F)cccc2OCC2CC[NH+](C)CC2)c1 ZINC001189096903 916401678 /nfs/dbraw/zinc/40/16/78/916401678.db2.gz QZHLOUZPBNNHLZ-UHFFFAOYSA-N 1 0 397.450 3.679 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCc1ccccc1Br ZINC001275757715 916946868 /nfs/dbraw/zinc/94/68/68/916946868.db2.gz VLMMFSFHVUBPQR-IBGZPJMESA-N 1 0 377.326 3.635 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000775354725 917133235 /nfs/dbraw/zinc/13/32/35/917133235.db2.gz WTXZYIALZCXPEQ-AWEZNQCLSA-N 1 0 388.389 3.806 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708740 917245468 /nfs/dbraw/zinc/24/54/68/917245468.db2.gz KPPKTXFXJCTLRW-KXBFYZLASA-N 1 0 395.341 3.583 20 30 GHEDRO N#Cc1cccc(C(=O)N2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)c1F ZINC001190545071 917401242 /nfs/dbraw/zinc/40/12/42/917401242.db2.gz HAFAVJFKFSUCCB-FQEVSTJZSA-N 1 0 377.463 3.967 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000775403380 917508107 /nfs/dbraw/zinc/50/81/07/917508107.db2.gz HKNKUTJWRLLWKK-FPOVZHCZSA-N 1 0 375.497 3.703 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(C)c3ccccc3C2)c1 ZINC001190800634 917571486 /nfs/dbraw/zinc/57/14/86/917571486.db2.gz AIFXVYWNTCDKBK-FQEVSTJZSA-N 1 0 390.531 3.891 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)C12CCC2 ZINC000296400109 918230532 /nfs/dbraw/zinc/23/05/32/918230532.db2.gz URCHNIFSGMZACD-ATZDWAIDSA-N 1 0 387.549 3.957 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000775488759 918261039 /nfs/dbraw/zinc/26/10/39/918261039.db2.gz MRCRWLLVDMJDJN-UHFFFAOYSA-N 1 0 394.519 3.677 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH3+])(c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC001192122695 918424791 /nfs/dbraw/zinc/42/47/91/918424791.db2.gz VMJACUYIIBCWTC-UHFFFAOYSA-N 1 0 391.368 3.806 20 30 GHEDRO C=CCCn1cc(C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)nn1 ZINC000653703061 918432570 /nfs/dbraw/zinc/43/25/70/918432570.db2.gz ZBVGLXWAPJSJHL-MRXNPFEDSA-N 1 0 375.314 3.681 20 30 GHEDRO COc1ccccc1-c1noc([C@H](C)[NH2+]CCCOc2ccc(C#N)cc2)n1 ZINC000363794242 918871245 /nfs/dbraw/zinc/87/12/45/918871245.db2.gz KFLNTIKNEGZCTP-HNNXBMFYSA-N 1 0 378.432 3.737 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114477067 919391646 /nfs/dbraw/zinc/39/16/46/919391646.db2.gz AFRPGHVPQRJECO-UHFFFAOYSA-N 1 0 381.499 3.985 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000114676119 919410761 /nfs/dbraw/zinc/41/07/61/919410761.db2.gz PCUJYGWYWFBHKO-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000114751817 919416495 /nfs/dbraw/zinc/41/64/95/919416495.db2.gz WRSBYFMNTHCAHE-KKSFZXQISA-N 1 0 395.528 3.753 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)ccc(F)c3Cl)CC2)C1=O ZINC001275927387 919801333 /nfs/dbraw/zinc/80/13/33/919801333.db2.gz VNTAOKOVVPFZKO-LJQANCHMSA-N 1 0 383.294 3.970 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000364730188 919917008 /nfs/dbraw/zinc/91/70/08/919917008.db2.gz ONWNSQXJKGFACK-LJQANCHMSA-N 1 0 384.568 3.650 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000900298722 920148806 /nfs/dbraw/zinc/14/88/06/920148806.db2.gz DOMYIDOEYDVONH-MRXNPFEDSA-N 1 0 383.467 3.763 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)cnc3OC)CC2)C1=O ZINC001275970880 920436466 /nfs/dbraw/zinc/43/64/66/920436466.db2.gz ZUULPQOAZYKKLJ-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO Cc1sc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1C(C)C ZINC000365534791 920919117 /nfs/dbraw/zinc/91/91/17/920919117.db2.gz HEXZILGZRLVBNF-UHFFFAOYSA-N 1 0 396.560 3.792 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CCCO)c2ccccc2)sc2c1CCC2 ZINC000298882628 921024348 /nfs/dbraw/zinc/02/43/48/921024348.db2.gz KJCPTCLNQIXVSM-SFHVURJKSA-N 1 0 383.517 3.540 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)COc2cccc(C#N)c2)C1 ZINC000802148649 921865071 /nfs/dbraw/zinc/86/50/71/921865071.db2.gz QTQYXQQRTOPVMY-VGOFRKELSA-N 1 0 382.435 3.655 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(C#N)ccn1 ZINC000902752415 922464299 /nfs/dbraw/zinc/46/42/99/922464299.db2.gz JMZAGQQRMJRWJC-CQSZACIVSA-N 1 0 390.409 3.659 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000368820216 922896670 /nfs/dbraw/zinc/89/66/70/922896670.db2.gz CHPDYIYREUYGQS-DLBZAZTESA-N 1 0 387.549 3.768 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2C(=O)OCC)CC1 ZINC000748194018 923497562 /nfs/dbraw/zinc/49/75/62/923497562.db2.gz BWGNRRNJXUSUKT-UHFFFAOYSA-N 1 0 390.483 3.814 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000748802191 923823516 /nfs/dbraw/zinc/82/35/16/923823516.db2.gz HEJDCMKBJSCSNA-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccccc2SCC#N)CC1 ZINC000749068803 924011821 /nfs/dbraw/zinc/01/18/21/924011821.db2.gz OXNFFLVEYKVOEK-MRXNPFEDSA-N 1 0 380.517 3.653 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000749128140 924036610 /nfs/dbraw/zinc/03/66/10/924036610.db2.gz FJXNCTFTRBPXAF-CKUXNOBLSA-N 1 0 393.531 3.919 20 30 GHEDRO Cc1ccnc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000371828746 924889051 /nfs/dbraw/zinc/88/90/51/924889051.db2.gz LTVFDABVRVCNPD-UHFFFAOYSA-N 1 0 383.883 3.518 20 30 GHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc21 ZINC000409712001 924907332 /nfs/dbraw/zinc/90/73/32/924907332.db2.gz NIDXGNDPKOJLCU-UHFFFAOYSA-N 1 0 398.470 3.513 20 30 GHEDRO CCCc1c(NC(=O)N2CCC([NH2+]C(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000372612757 925580750 /nfs/dbraw/zinc/58/07/50/925580750.db2.gz VZWDCYVBLINNSF-UHFFFAOYSA-N 1 0 394.523 3.691 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000372727454 925663439 /nfs/dbraw/zinc/66/34/39/925663439.db2.gz PPTXNTPNQFEAAI-LJQANCHMSA-N 1 0 393.491 3.502 20 30 GHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411403952 926361465 /nfs/dbraw/zinc/36/14/65/926361465.db2.gz XPVOWBPCDBQUOK-HXUWFJFHSA-N 1 0 386.883 3.773 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1O ZINC000725785775 926436844 /nfs/dbraw/zinc/43/68/44/926436844.db2.gz AIIZDGHSEOHMKE-KRWDZBQOSA-N 1 0 388.552 3.892 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cncc(F)c1 ZINC000411509290 926473129 /nfs/dbraw/zinc/47/31/29/926473129.db2.gz WGYFPVQADDQJDL-STQMWFEESA-N 1 0 386.496 3.958 20 30 GHEDRO N#CC1(CCN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000411724051 926692841 /nfs/dbraw/zinc/69/28/41/926692841.db2.gz XQRLYZQOUWJDNA-HSZRJFAPSA-N 1 0 380.580 3.743 20 30 GHEDRO C[N@H+](CN1CC(=O)N(Cc2ccccc2C#N)C1=O)C1CCC(C(C)(C)C)CC1 ZINC000726587153 926744399 /nfs/dbraw/zinc/74/43/99/926744399.db2.gz VRJIKVIGLJMBTO-UHFFFAOYSA-N 1 0 396.535 3.817 20 30 GHEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000374113795 926777665 /nfs/dbraw/zinc/77/76/65/926777665.db2.gz MBBXOMAGNCMIEN-NRFANRHFSA-N 1 0 375.557 3.590 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000411800169 926789690 /nfs/dbraw/zinc/78/96/90/926789690.db2.gz UBMQCCKBTAANKZ-GOSISDBHSA-N 1 0 391.393 3.619 20 30 GHEDRO CC(C)[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000412084724 927074884 /nfs/dbraw/zinc/07/48/84/927074884.db2.gz QQTHQWAXIMXDRS-QFIPXVFZSA-N 1 0 375.516 3.875 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(CC(C)(C)C)nn2-c2ccccc2)CC1 ZINC000749556910 927187480 /nfs/dbraw/zinc/18/74/80/927187480.db2.gz DXGALZRKFBURFG-UHFFFAOYSA-N 1 0 378.520 3.745 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000749576828 927198322 /nfs/dbraw/zinc/19/83/22/927198322.db2.gz UNWFHWFYTPGFMD-QZTJIDSGSA-N 1 0 382.533 3.959 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412212830 927215150 /nfs/dbraw/zinc/21/51/50/927215150.db2.gz SYOWPGQEXDGNAL-LEWJYISDSA-N 1 0 381.907 3.906 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)ccc1OC ZINC000374787854 927522485 /nfs/dbraw/zinc/52/24/85/927522485.db2.gz KIRCOMDWHWZZID-SFHVURJKSA-N 1 0 398.507 3.711 20 30 GHEDRO C[C@H](Cc1ccccc1F)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374862524 927615464 /nfs/dbraw/zinc/61/54/64/927615464.db2.gz GEWJOPRANAMIJP-GOSISDBHSA-N 1 0 379.479 3.679 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000374900995 927675009 /nfs/dbraw/zinc/67/50/09/927675009.db2.gz VVTOYJFQKFRAJN-OALUTQOASA-N 1 0 395.453 3.743 20 30 GHEDRO C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccnc(Br)c3)C2)C1=O ZINC001276213127 927717112 /nfs/dbraw/zinc/71/71/12/927717112.db2.gz OADVCPPSYGXOQZ-HXUWFJFHSA-N 1 0 398.304 3.520 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)c1 ZINC000750597796 927741503 /nfs/dbraw/zinc/74/15/03/927741503.db2.gz VMQFGGKNVFVXNP-OAQYLSRUSA-N 1 0 392.503 3.612 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000751036254 927994079 /nfs/dbraw/zinc/99/40/79/927994079.db2.gz XONOPJOQYVIRHX-UHFFFAOYSA-N 1 0 378.545 3.896 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000467088347 928683567 /nfs/dbraw/zinc/68/35/67/928683567.db2.gz BMHQKTSSPZMVAU-XZOQPEGZSA-N 1 0 390.531 3.772 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1C#N ZINC000752299928 928738940 /nfs/dbraw/zinc/73/89/40/928738940.db2.gz WMGLTWIOLOSMLJ-UHFFFAOYSA-N 1 0 387.484 3.514 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)Cc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000753148619 929228011 /nfs/dbraw/zinc/22/80/11/929228011.db2.gz FZKFXGHPFQKEBG-UGKGYDQZSA-N 1 0 391.515 3.548 20 30 GHEDRO CCc1nnc(NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c(C#N)c1CC ZINC000467750321 929372059 /nfs/dbraw/zinc/37/20/59/929372059.db2.gz XOOKHYWWNFALBN-NRFANRHFSA-N 1 0 379.508 3.731 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000544684960 929442633 /nfs/dbraw/zinc/44/26/33/929442633.db2.gz QZWQDRIUUJTLTF-VXKWHMMOSA-N 1 0 391.540 3.877 20 30 GHEDRO C#CC[C@@H](NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccccc1 ZINC000757602233 929740046 /nfs/dbraw/zinc/74/00/46/929740046.db2.gz ANGUFGXOYFIHBJ-HSZRJFAPSA-N 1 0 375.516 3.711 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C(C)(C)c2cnn(C)c2)c1C#N ZINC000546001179 929761977 /nfs/dbraw/zinc/76/19/77/929761977.db2.gz OZFYLFUVAVFBMF-UHFFFAOYSA-N 1 0 396.539 3.679 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)[C@@]12CCCO2 ZINC000546056716 929811443 /nfs/dbraw/zinc/81/14/43/929811443.db2.gz QPVHQYBGYMAINM-SMIHKQSGSA-N 1 0 392.499 3.953 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000469433363 929882507 /nfs/dbraw/zinc/88/25/07/929882507.db2.gz DEVFOAIOFBKPAG-QFIPXVFZSA-N 1 0 378.520 3.856 20 30 GHEDRO CCCCCCCCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000758313855 930008480 /nfs/dbraw/zinc/00/84/80/930008480.db2.gz CNNMDNRNKOIRFU-UHFFFAOYSA-N 1 0 380.621 3.796 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)CC1 ZINC000758474587 930056751 /nfs/dbraw/zinc/05/67/51/930056751.db2.gz XXTZEBDXOIFECL-QFIPXVFZSA-N 1 0 384.568 3.646 20 30 GHEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469792800 930165531 /nfs/dbraw/zinc/16/55/31/930165531.db2.gz WYHDEKBUXWPXME-QZTJIDSGSA-N 1 0 398.494 3.827 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccccc1CC ZINC000759054381 930258619 /nfs/dbraw/zinc/25/86/19/930258619.db2.gz KSHOJEMTBHCFOE-UHFFFAOYSA-O 1 0 375.876 3.763 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000546707991 930371642 /nfs/dbraw/zinc/37/16/42/930371642.db2.gz QUOOBUNJWXFJCS-KRWDZBQOSA-N 1 0 378.476 3.695 20 30 GHEDRO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000546762108 930412207 /nfs/dbraw/zinc/41/22/07/930412207.db2.gz LJQJMGMGZOSOKO-XMSQKQJNSA-N 1 0 376.504 3.925 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)[C@@H]1OC ZINC000759605887 930423022 /nfs/dbraw/zinc/42/30/22/930423022.db2.gz SPZBXWFVQOJXSW-IWMXFIMRSA-N 1 0 392.503 3.653 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CC(C)(C)CC(=O)c2ccc(OC)cc2)CC1 ZINC000546792134 930441752 /nfs/dbraw/zinc/44/17/52/930441752.db2.gz GXIOEOYEDFJCML-UHFFFAOYSA-N 1 0 386.536 3.841 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000470202891 930449778 /nfs/dbraw/zinc/44/97/78/930449778.db2.gz MVYSUEUUWKXOAB-ROUUACIJSA-N 1 0 390.959 3.700 20 30 GHEDRO CC(C)C[C@H](CNC(=O)NCc1ccc(C#N)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000780535440 930543619 /nfs/dbraw/zinc/54/36/19/930543619.db2.gz DLIGJVOSVNVHHI-LAUBAEHRSA-N 1 0 379.508 3.518 20 30 GHEDRO CC(C)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+]1CCCCC1 ZINC000470853139 930972640 /nfs/dbraw/zinc/97/26/40/930972640.db2.gz YBVPMPHNMCMMBW-JOCHJYFZSA-N 1 0 396.535 3.719 20 30 GHEDRO Cc1cnn(CCCCC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000471002110 931087082 /nfs/dbraw/zinc/08/70/82/931087082.db2.gz WIPVUAKOLIXXCD-OAQYLSRUSA-N 1 0 385.943 3.898 20 30 GHEDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000782544831 931264718 /nfs/dbraw/zinc/26/47/18/931264718.db2.gz KKTHPJXUNFGMOC-UHFFFAOYSA-N 1 0 388.512 3.536 20 30 GHEDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000783279751 931480951 /nfs/dbraw/zinc/48/09/51/931480951.db2.gz YADDCHHQDBKSTO-VQIMIIECSA-N 1 0 385.508 3.551 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 ZINC000783408958 931540496 /nfs/dbraw/zinc/54/04/96/931540496.db2.gz GXRGFDVNSUEZLP-KRWDZBQOSA-N 1 0 390.487 3.619 20 30 GHEDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000925123086 931660896 /nfs/dbraw/zinc/66/08/96/931660896.db2.gz JWBLRIKXCBELFC-NVXWUHKLSA-N 1 0 391.512 3.531 20 30 GHEDRO CC(C)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(C(C)C)c1 ZINC000783923114 931717914 /nfs/dbraw/zinc/71/79/14/931717914.db2.gz XZWHXOJGORMHGH-UHFFFAOYSA-N 1 0 386.540 3.566 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1O ZINC000783978587 931738817 /nfs/dbraw/zinc/73/88/17/931738817.db2.gz BMQYMVCWYSNGOH-UHFFFAOYSA-N 1 0 385.483 3.766 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 ZINC000557989532 931789961 /nfs/dbraw/zinc/78/99/61/931789961.db2.gz FWZJQSPCFPYPDZ-IBGZPJMESA-N 1 0 392.503 3.993 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558397946 931978239 /nfs/dbraw/zinc/97/82/39/931978239.db2.gz UXYVRANOFMKNTM-RXVVDRJESA-N 1 0 397.544 3.596 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1C#N ZINC000558469356 932019944 /nfs/dbraw/zinc/01/99/44/932019944.db2.gz QCKYWGOTPFDUPV-VQTJNVASSA-N 1 0 383.879 3.533 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c(C(F)(F)F)c1 ZINC000558492030 932033397 /nfs/dbraw/zinc/03/33/97/932033397.db2.gz MKEGOTFPFMUKKD-UHFFFAOYSA-N 1 0 389.421 3.699 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000558672834 932156397 /nfs/dbraw/zinc/15/63/97/932156397.db2.gz SYCTUPVKVWUABF-RBUKOAKNSA-N 1 0 380.540 3.617 20 30 GHEDRO COC[C@@]1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CCCN1C(=O)OC(C)(C)C ZINC000797116038 932189384 /nfs/dbraw/zinc/18/93/84/932189384.db2.gz VXPBKOJWHJMLPM-VFNWGFHPSA-N 1 0 391.487 3.764 20 30 GHEDRO Cc1cccnc1CC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926523380 932216220 /nfs/dbraw/zinc/21/62/20/932216220.db2.gz CRIHNFNYBGRUEW-SFHVURJKSA-N 1 0 386.540 3.842 20 30 GHEDRO Cc1cccnc1CC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926523379 932216406 /nfs/dbraw/zinc/21/64/06/932216406.db2.gz CRIHNFNYBGRUEW-GOSISDBHSA-N 1 0 386.540 3.842 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000926533555 932219440 /nfs/dbraw/zinc/21/94/40/932219440.db2.gz ROCXSJNDEIHWKU-IXDOHACOSA-N 1 0 387.528 3.798 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926549332 932225452 /nfs/dbraw/zinc/22/54/52/932225452.db2.gz KDIWIQVTOYJPSA-KZNAEPCWSA-N 1 0 379.545 3.853 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)COc1ccccc1C#N ZINC000797344648 932257669 /nfs/dbraw/zinc/25/76/69/932257669.db2.gz ZOPDPWWNUOFHPE-OAQYLSRUSA-N 1 0 378.472 3.781 20 30 GHEDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926653529 932262391 /nfs/dbraw/zinc/26/23/91/932262391.db2.gz YIFJOMXXNLHRTF-IRXDYDNUSA-N 1 0 379.545 3.711 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000558876239 932287504 /nfs/dbraw/zinc/28/75/04/932287504.db2.gz IJGZYSLXCFFLFA-UHFFFAOYSA-N 1 0 378.524 3.539 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000926868346 932331514 /nfs/dbraw/zinc/33/15/14/932331514.db2.gz WNNTYJJVDGGAMM-SVMVAKDDSA-N 1 0 391.556 3.997 20 30 GHEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC000926880826 932334978 /nfs/dbraw/zinc/33/49/78/932334978.db2.gz VWUWXCBQOPTAMW-SJORKVTESA-N 1 0 379.545 3.711 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000558981801 932353641 /nfs/dbraw/zinc/35/36/41/932353641.db2.gz MWSGWHLJQCBCIK-GOSISDBHSA-N 1 0 383.540 3.698 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)C1CC1 ZINC000927007235 932379723 /nfs/dbraw/zinc/37/97/23/932379723.db2.gz AVUUHSFJQYHDBC-ROUUACIJSA-N 1 0 392.540 3.654 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000927294140 932487995 /nfs/dbraw/zinc/48/79/95/932487995.db2.gz MJBBKWIVHQHSMV-UHFFFAOYSA-N 1 0 378.520 3.764 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)ccc1C#N ZINC000559321242 932597736 /nfs/dbraw/zinc/59/77/36/932597736.db2.gz DCCOJLVQKCHZMR-QRWLVFNGSA-N 1 0 381.451 3.548 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000798414804 932638533 /nfs/dbraw/zinc/63/85/33/932638533.db2.gz UUCVONPQZYJMDQ-FYYLOGMGSA-N 1 0 378.520 3.910 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798523535 932687896 /nfs/dbraw/zinc/68/78/96/932687896.db2.gz LGDMSDBUTJGCMV-XMMPIXPASA-N 1 0 391.515 3.744 20 30 GHEDRO C[C@]1(CNC(=O)c2ccccc2SCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000799013492 932852266 /nfs/dbraw/zinc/85/22/66/932852266.db2.gz QIRNKCNJSJUCSJ-JOCHJYFZSA-N 1 0 379.529 3.944 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000799031770 932857650 /nfs/dbraw/zinc/85/76/50/932857650.db2.gz PCYZXHUUDAYUDM-VQHVLOKHSA-N 1 0 384.520 3.608 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](CCCC2(C#N)CCOCC2)C2CC2)C1 ZINC000799142839 932886844 /nfs/dbraw/zinc/88/68/44/932886844.db2.gz AYMUMSWERODOSQ-SFHVURJKSA-N 1 0 377.529 3.561 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CCCOCc1ccccc1 ZINC000799162852 932894576 /nfs/dbraw/zinc/89/45/76/932894576.db2.gz CZATWDMRZZVOOQ-UHFFFAOYSA-N 1 0 375.476 3.621 20 30 GHEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000799165327 932895062 /nfs/dbraw/zinc/89/50/62/932895062.db2.gz FLCLTPFEOHYIPZ-MSOLQXFVSA-N 1 0 379.545 3.712 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799210324 932917578 /nfs/dbraw/zinc/91/75/78/932917578.db2.gz DYPCKMIJATYEPE-JOCHJYFZSA-N 1 0 378.476 3.601 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3cc(C#N)cs3)c(C)c2)CC1 ZINC000929321391 933351003 /nfs/dbraw/zinc/35/10/03/933351003.db2.gz JDELPLGCHGYQKB-UHFFFAOYSA-N 1 0 397.548 3.734 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CCC(=O)Nc3cc(Cl)cc(Cl)c3)n2c1 ZINC000560611837 933388337 /nfs/dbraw/zinc/38/83/37/933388337.db2.gz KEPMRRPOKJQDOG-UHFFFAOYSA-N 1 0 388.258 3.631 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000929944061 933721905 /nfs/dbraw/zinc/72/19/05/933721905.db2.gz ZLFQLFJCWQZVRP-UWJYYQICSA-N 1 0 376.460 3.827 20 30 GHEDRO C=CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001116935582 933836950 /nfs/dbraw/zinc/83/69/50/933836950.db2.gz HPXRIPOXKDXDBK-GHTZIAJQSA-N 1 0 393.535 3.593 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000930334317 933987392 /nfs/dbraw/zinc/98/73/92/933987392.db2.gz XBKGXSZGRQXNEP-ZWKOTPCHSA-N 1 0 384.524 3.632 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561397686 934120670 /nfs/dbraw/zinc/12/06/70/934120670.db2.gz JFJAOTHUTCWQCI-FQEVSTJZSA-N 1 0 388.519 3.545 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000561542425 934256350 /nfs/dbraw/zinc/25/63/50/934256350.db2.gz JFAALFVPKOMFFP-CEMLEFRQSA-N 1 0 385.552 3.677 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001120511655 934469376 /nfs/dbraw/zinc/46/93/76/934469376.db2.gz SDJMMUSXKBRJLI-QZTJIDSGSA-N 1 0 391.556 3.591 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000561919289 934559905 /nfs/dbraw/zinc/55/99/05/934559905.db2.gz ZDJOGIDWJDNGCB-OAQYLSRUSA-N 1 0 399.922 3.917 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001121504657 934677967 /nfs/dbraw/zinc/67/79/67/934677967.db2.gz IDSLDNQHBMINIY-RTBURBONSA-N 1 0 384.572 3.647 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2c2ccccc2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001121592720 934709616 /nfs/dbraw/zinc/70/96/16/934709616.db2.gz UTWQENBGLZWBDZ-KNOXWWKRSA-N 1 0 391.563 3.902 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC001121731290 934749845 /nfs/dbraw/zinc/74/98/45/934749845.db2.gz RIDCRKOAEKSWEJ-QWFCFKBJSA-N 1 0 387.572 3.652 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1ccccc1 ZINC001122041649 934806389 /nfs/dbraw/zinc/80/63/89/934806389.db2.gz SRJNODLGTCHWLH-HXUWFJFHSA-N 1 0 392.551 3.582 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4cc(N)ccc4s3)CC2)c1 ZINC001122127170 934827055 /nfs/dbraw/zinc/82/70/55/934827055.db2.gz NTPLELVJAHCTCG-UHFFFAOYSA-N 1 0 390.512 3.750 20 30 GHEDRO N#CC1CCC(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)CC1 ZINC000932172016 934840078 /nfs/dbraw/zinc/84/00/78/934840078.db2.gz BMATUTPRXYTWCM-UHFFFAOYSA-N 1 0 383.471 3.855 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001122374383 934858510 /nfs/dbraw/zinc/85/85/10/934858510.db2.gz NYPBDPRTPYOMBJ-PKOBYXMFSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ncccc23)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001122471747 934877645 /nfs/dbraw/zinc/87/76/45/934877645.db2.gz MFFWMXXJPHYRLO-QGZVFWFLSA-N 1 0 393.539 3.566 20 30 GHEDRO C=C(C)Cn1c(-c2cncc3ccccc32)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001122587108 934909932 /nfs/dbraw/zinc/90/99/32/934909932.db2.gz XQIIUTRNZVWTEP-WIYYLYMNSA-N 1 0 388.519 3.600 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001122601233 934915281 /nfs/dbraw/zinc/91/52/81/934915281.db2.gz FYASPMSORXKHLT-RTWAWAEBSA-N 1 0 395.551 3.631 20 30 GHEDRO C#CCC(C)(C)c1nnc(N2CCC(CC)([NH+](C)C)CC2)n1Cc1cccs1 ZINC001123041750 935064548 /nfs/dbraw/zinc/06/45/48/935064548.db2.gz PXQFRFVZGOJABU-UHFFFAOYSA-N 1 0 399.608 3.999 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC001137640226 935655840 /nfs/dbraw/zinc/65/58/40/935655840.db2.gz XAMJHOKIOQTGAD-HIFRSBDPSA-N 1 0 379.298 3.732 20 30 GHEDRO COc1ccc(C[NH+]2CCC3(CC(NC(=O)OC(C)(C)C)C3)CC2)c(C#N)c1 ZINC001137699424 935730949 /nfs/dbraw/zinc/73/09/49/935730949.db2.gz HTKFTFIKRXMIOE-UHFFFAOYSA-N 1 0 385.508 3.836 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC001137754250 935772041 /nfs/dbraw/zinc/77/20/41/935772041.db2.gz VMPCYPZUOHZNKZ-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC001137760542 935775621 /nfs/dbraw/zinc/77/56/21/935775621.db2.gz YQSVZBXFXKQSPX-UHFFFAOYSA-N 1 0 388.471 3.796 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1 ZINC001137902599 935856716 /nfs/dbraw/zinc/85/67/16/935856716.db2.gz KCAGDGSXWMLRHJ-UHFFFAOYSA-N 1 0 386.503 3.834 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)cc1 ZINC001137903960 935857691 /nfs/dbraw/zinc/85/76/91/935857691.db2.gz CVXFNUVFGOBOCP-OFNKIYASSA-N 1 0 388.515 3.769 20 30 GHEDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000830402068 935940556 /nfs/dbraw/zinc/94/05/56/935940556.db2.gz UMJKGBRQSMYMLQ-FGZHOGPDSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc(C(C)(C)C)ccc1-c1nn[nH]n1)C(C)C ZINC001573341357 947531137 /nfs/dbraw/zinc/53/11/37/947531137.db2.gz LUOFPUFQKYKFFG-KRWDZBQOSA-N 1 0 383.544 3.670 20 30 GHEDRO N#Cc1ccccc1OCCCNC(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC001220684901 1032061121 /nfs/dbraw/zinc/06/11/21/1032061121.db2.gz FWHQOHKUGACOPP-DEOSSOPVSA-N 1 0 399.494 3.603 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCSCc1ccccc1C#N ZINC001220737701 1032093912 /nfs/dbraw/zinc/09/39/12/1032093912.db2.gz WSVOIHMQLGHPGC-FQEVSTJZSA-N 1 0 388.581 3.601 20 30 GHEDRO N#Cc1c2ccccc2[nH]c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001626072452 1014853747 /nfs/dbraw/zinc/85/37/47/1014853747.db2.gz BHFNNFCJMSJTTC-UHFFFAOYSA-N 1 0 378.501 3.743 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCc3c(Cl)ccc(OC)c3C1)CC2 ZINC001171309722 1014963825 /nfs/dbraw/zinc/96/38/25/1014963825.db2.gz GGBWTBNBLAXZSU-MRXNPFEDSA-N 1 0 388.939 3.849 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000469850974 1016637944 /nfs/dbraw/zinc/63/79/44/1016637944.db2.gz XKAPRFGNYMPXNN-HIFRSBDPSA-N 1 0 383.330 3.582 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NC1(c2cccc3ccccc32)CC1 ZINC001220878718 1032169271 /nfs/dbraw/zinc/16/92/71/1032169271.db2.gz NVRWWACDRFOJLJ-YADHBBJMSA-N 1 0 381.479 3.820 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC001226878022 1032170989 /nfs/dbraw/zinc/17/09/89/1032170989.db2.gz NAKCNOWRKVINBS-FGZHOGPDSA-N 1 0 379.479 3.710 20 30 GHEDRO C=CCCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC001220986685 1032223513 /nfs/dbraw/zinc/22/35/13/1032223513.db2.gz IDWOQVVHZCUHQA-YADHBBJMSA-N 1 0 386.584 3.655 20 30 GHEDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001154748531 1032268458 /nfs/dbraw/zinc/26/84/58/1032268458.db2.gz CJWGFOANPPKEFS-HNNXBMFYSA-N 1 0 377.517 3.541 20 30 GHEDRO C=CCN1C[C@@]2(CC[N@@H+](Cc3sc4scc(C)c4c3C)C2)OCC1=O ZINC001277200319 1032378599 /nfs/dbraw/zinc/37/85/99/1032378599.db2.gz BFXVCDGGXCUXIT-IBGZPJMESA-N 1 0 376.547 3.569 20 30 GHEDRO C[N@@H+]1CCC[C@@H](Oc2c(Br)cc(C#N)cc2Br)CC1 ZINC001227343245 1032382752 /nfs/dbraw/zinc/38/27/52/1032382752.db2.gz IOJOJAXPDKQKCV-LLVKDONJSA-N 1 0 388.103 3.946 20 30 GHEDRO CSc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001155244763 1032469762 /nfs/dbraw/zinc/46/97/62/1032469762.db2.gz KYFHOFCTDMBVEM-FQEVSTJZSA-N 1 0 379.529 3.951 20 30 GHEDRO CN1[C@@H]2C[C@@H](Oc3ccc4cc(Br)ccc4c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227606678 1032482962 /nfs/dbraw/zinc/48/29/62/1032482962.db2.gz MVWQGEGGZBSNGU-YSNABGDFSA-N 1 0 378.241 3.733 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC001227630771 1032493609 /nfs/dbraw/zinc/49/36/09/1032493609.db2.gz CWJDSGAFCUROLY-IBGZPJMESA-N 1 0 391.849 3.572 20 30 GHEDRO N#CC1(NC(=O)c2c3cc[nH]c3ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001155438052 1032542439 /nfs/dbraw/zinc/54/24/39/1032542439.db2.gz NOKWHWQFKXHPIC-UHFFFAOYSA-N 1 0 376.435 3.595 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000558439930 1017200283 /nfs/dbraw/zinc/20/02/83/1017200283.db2.gz ARCAHHQHWNEENK-KRWDZBQOSA-N 1 0 385.961 3.582 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000927287465 1017381300 /nfs/dbraw/zinc/38/13/00/1017381300.db2.gz FOESMROUAIPVSD-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)cc1 ZINC001204300912 1032742867 /nfs/dbraw/zinc/74/28/67/1032742867.db2.gz WVHAITRPWGNKGA-QFIPXVFZSA-N 1 0 397.544 3.641 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3cccc(OC)c3)CC2)cc1 ZINC001204302538 1032744385 /nfs/dbraw/zinc/74/43/85/1032744385.db2.gz MGHZARGEHGUMAF-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)cc1 ZINC001204301427 1032745351 /nfs/dbraw/zinc/74/53/51/1032745351.db2.gz ZMILQXHWFCPZDE-HXUWFJFHSA-N 1 0 398.478 3.988 20 30 GHEDRO CC(C)C[N@H+](Cc1ccccn1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932446121 1018313178 /nfs/dbraw/zinc/31/31/78/1018313178.db2.gz HGRNUYXAKQUTDE-LJQANCHMSA-N 1 0 385.471 3.777 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1C ZINC000932574345 1018475621 /nfs/dbraw/zinc/47/56/21/1018475621.db2.gz UVALQWUGZMPDPE-MAUKXSAKSA-N 1 0 386.455 3.892 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000562790844 1018645317 /nfs/dbraw/zinc/64/53/17/1018645317.db2.gz ITLLULSEEZZFKC-QGZVFWFLSA-N 1 0 376.508 3.600 20 30 GHEDRO Cc1noc(C)c1CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949669 1018780390 /nfs/dbraw/zinc/78/03/90/1018780390.db2.gz PTKNBQQPFTXMKR-GHMZBOCLSA-N 1 0 392.290 3.937 20 30 GHEDRO ON=C(Nc1ccc(C[NH+]2CCCC2)cn1)c1ccc(OC(F)(F)F)cc1 ZINC001155914829 1032792142 /nfs/dbraw/zinc/79/21/42/1032792142.db2.gz YJHJENHGSXMOMI-UHFFFAOYSA-N 1 0 380.370 3.824 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C[NH+]1CCCC1 ZINC000564131929 1019014157 /nfs/dbraw/zinc/01/41/57/1019014157.db2.gz HFUOYCPCKOUQOZ-MRXNPFEDSA-N 1 0 379.464 3.599 20 30 GHEDRO N#Cc1ccccc1C[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001204371319 1032813222 /nfs/dbraw/zinc/81/32/22/1032813222.db2.gz VCGIHLCVYMHLKF-OAQYLSRUSA-N 1 0 377.488 3.651 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000567685715 1019331313 /nfs/dbraw/zinc/33/13/13/1019331313.db2.gz JRUDVEOGRRVZGU-YLJYHZDGSA-N 1 0 386.879 3.649 20 30 GHEDRO Cc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)cc1N(C)C ZINC000568965388 1019454889 /nfs/dbraw/zinc/45/48/89/1019454889.db2.gz HYISEMYERIRJRB-SJORKVTESA-N 1 0 383.540 3.707 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000569484237 1019494903 /nfs/dbraw/zinc/49/49/03/1019494903.db2.gz GAPVYFWLCJROAF-UHFFFAOYSA-N 1 0 387.494 3.907 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000572708888 1019797788 /nfs/dbraw/zinc/79/77/88/1019797788.db2.gz QXELTOCKWHOENJ-DYESRHJHSA-N 1 0 377.488 3.625 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)C1=O ZINC001276464411 1032866184 /nfs/dbraw/zinc/86/61/84/1032866184.db2.gz AOMDSDNFVUXAIG-UHFFFAOYSA-N 1 0 384.829 3.807 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000600721478 1020223736 /nfs/dbraw/zinc/22/37/36/1020223736.db2.gz AKHYPTRBGJZNKI-QGZVFWFLSA-N 1 0 377.326 3.905 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2Sc2ccccc2)CCOCC1 ZINC000600720216 1020224210 /nfs/dbraw/zinc/22/42/10/1020224210.db2.gz FXBHVSNVMNFGQI-IBGZPJMESA-N 1 0 382.529 3.999 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000079216012 1020886881 /nfs/dbraw/zinc/88/68/81/1020886881.db2.gz BVZJRNOSWRQSGK-HXUWFJFHSA-N 1 0 384.568 3.684 20 30 GHEDRO [NH2+]=C(NCc1cccc(N2CC=CC2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304749075 1021153652 /nfs/dbraw/zinc/15/36/52/1021153652.db2.gz HLQMCEGBYFGCAD-UHFFFAOYSA-N 1 0 376.382 3.888 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3ccc(Br)cc3C#N)c2)CC1 ZINC001204537582 1032957584 /nfs/dbraw/zinc/95/75/84/1032957584.db2.gz KITVJNZTMMGEJD-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000834890967 1021632597 /nfs/dbraw/zinc/63/25/97/1021632597.db2.gz GOTJZHLAIHOJRF-LZQZEXGQSA-N 1 0 375.513 3.799 20 30 GHEDRO Cc1ccc(Cl)nc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001140443738 1021727954 /nfs/dbraw/zinc/72/79/54/1021727954.db2.gz XZUMUVQVGOVSGB-OAQYLSRUSA-N 1 0 380.879 3.544 20 30 GHEDRO c1cn(-c2ccc(N=NC3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)nn2)cn1 ZINC000834975055 1021747350 /nfs/dbraw/zinc/74/73/50/1021747350.db2.gz WKJAJEDONNOSLM-AZUAARDMSA-N 1 0 387.491 3.505 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(NCC3C[NH+](Cc4ccccc4)C3)nn2)cc1 ZINC001156400353 1033018463 /nfs/dbraw/zinc/01/84/63/1033018463.db2.gz LJFHUHKVTCRJRW-QFIPXVFZSA-N 1 0 383.499 3.984 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cc(C#N)ccc4Cl)CC[N@@H+]3C2)cc1 ZINC001140601235 1022047480 /nfs/dbraw/zinc/04/74/80/1022047480.db2.gz JQVVIFAGRQFXOB-TZIWHRDSSA-N 1 0 381.907 3.858 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]2C1 ZINC001140602118 1022049145 /nfs/dbraw/zinc/04/91/45/1022049145.db2.gz DZGUWXMWTDUFQK-NVXWUHKLSA-N 1 0 375.900 3.900 20 30 GHEDRO C=CCCSCC[NH2+]Cc1c(F)ccc(I)c1F ZINC001203054883 1022146035 /nfs/dbraw/zinc/14/60/35/1022146035.db2.gz HWAJSBBESKTOAD-UHFFFAOYSA-N 1 0 383.245 3.968 20 30 GHEDRO C=CC[C@H](CO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000680483703 1022176677 /nfs/dbraw/zinc/17/66/77/1022176677.db2.gz ADWLCJHNQUKKAR-GOSISDBHSA-N 1 0 393.487 3.583 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C2)c1 ZINC001140664093 1022206504 /nfs/dbraw/zinc/20/65/04/1022206504.db2.gz YLSZBOYSTATFCN-JOCHJYFZSA-N 1 0 395.478 3.577 20 30 GHEDRO N#Cc1c(F)cc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)cc1F ZINC001140752080 1022433601 /nfs/dbraw/zinc/43/36/01/1022433601.db2.gz LTSSZAUUEWCYCS-GOSISDBHSA-N 1 0 390.474 3.882 20 30 GHEDRO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140754909 1022440629 /nfs/dbraw/zinc/44/06/29/1022440629.db2.gz NZPRLJQFJNJAOT-AWEZNQCLSA-N 1 0 379.451 3.915 20 30 GHEDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cccc(C#N)c1Cl)CC2 ZINC001140813582 1022611577 /nfs/dbraw/zinc/61/15/77/1022611577.db2.gz NLQYZLXWVQEJLU-UHFFFAOYSA-N 1 0 383.927 3.543 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC000754422522 1022697026 /nfs/dbraw/zinc/69/70/26/1022697026.db2.gz ZACCCGZBQACUON-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1=O ZINC001140884756 1022793316 /nfs/dbraw/zinc/79/33/16/1022793316.db2.gz WPWNOHMUIIOBQU-SFHVURJKSA-N 1 0 386.389 3.725 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000754735735 1022869307 /nfs/dbraw/zinc/86/93/07/1022869307.db2.gz ARSCBZRCHQWSOO-QGZVFWFLSA-N 1 0 376.497 3.571 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c(OC)c1 ZINC000754740015 1022872052 /nfs/dbraw/zinc/87/20/52/1022872052.db2.gz FMILIFFNBCFZHB-YJBOKZPZSA-N 1 0 390.524 3.864 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)ccc1OC ZINC000756029365 1023484553 /nfs/dbraw/zinc/48/45/53/1023484553.db2.gz ZUFKWLYOKJFJDV-QAPCUYQASA-N 1 0 387.505 3.974 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141114309 1023531338 /nfs/dbraw/zinc/53/13/38/1023531338.db2.gz LJDHSWOGFIZDAE-NSHDSACASA-N 1 0 384.933 3.735 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3nc4ccccc4cc3C#N)C2)cc(OC)c1 ZINC000756134785 1023532508 /nfs/dbraw/zinc/53/25/08/1023532508.db2.gz PPWRVMJUYZZFTL-LJQANCHMSA-N 1 0 388.471 3.810 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OC)cc3F)CC2)C1 ZINC001204899467 1033154690 /nfs/dbraw/zinc/15/46/90/1033154690.db2.gz DFFQOALWZQXLOG-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C#CCOCCC(=O)OC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000756562881 1023714477 /nfs/dbraw/zinc/71/44/77/1023714477.db2.gz QCHRIEXVHKCXOT-QFBILLFUSA-N 1 0 383.410 3.671 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1C#N ZINC000756613618 1023738733 /nfs/dbraw/zinc/73/87/33/1023738733.db2.gz KXRCZZZPUZHGSN-WIYYLYMNSA-N 1 0 382.435 3.572 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001156668416 1033170773 /nfs/dbraw/zinc/17/07/73/1033170773.db2.gz PXFWOWXNKVHWHC-UHFFFAOYSA-N 1 0 375.513 3.542 20 30 GHEDRO C#CC[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000757015197 1023907658 /nfs/dbraw/zinc/90/76/58/1023907658.db2.gz DYBKZNQOOVLDBA-HSZRJFAPSA-N 1 0 375.516 3.962 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC001156672272 1033174472 /nfs/dbraw/zinc/17/44/72/1033174472.db2.gz KLSRXXCLKWHANJ-IBGZPJMESA-N 1 0 389.540 3.527 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000837043525 1023976532 /nfs/dbraw/zinc/97/65/32/1023976532.db2.gz MPTRUEQYRFWIQH-UHFFFAOYSA-N 1 0 376.504 3.713 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000837091688 1024013253 /nfs/dbraw/zinc/01/32/53/1024013253.db2.gz CWOILYLUHIELAF-UHFFFAOYSA-N 1 0 375.497 3.993 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1C ZINC001138139994 1024213048 /nfs/dbraw/zinc/21/30/48/1024213048.db2.gz VOKUPXKGIANUDM-LJQANCHMSA-N 1 0 381.476 3.723 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC001138150840 1024243746 /nfs/dbraw/zinc/24/37/46/1024243746.db2.gz AMQJNUDMZMWAEM-FQEVSTJZSA-N 1 0 386.521 3.749 20 30 GHEDRO COc1cc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000831055842 1024333871 /nfs/dbraw/zinc/33/38/71/1024333871.db2.gz PPRIOUYXDZDBIW-PKOBYXMFSA-N 1 0 377.488 3.597 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@H]4CN(CC5CC5)C(=O)[C@H]4C3)cc2)cc1 ZINC001141289801 1024416821 /nfs/dbraw/zinc/41/68/21/1024416821.db2.gz OZFQODLUGOVESH-REWPJTCUSA-N 1 0 387.483 3.651 20 30 GHEDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1ccc(Oc3ccc(C#N)cc3)cc1)CC2 ZINC001141292336 1024421944 /nfs/dbraw/zinc/42/19/44/1024421944.db2.gz YZOGLBSRPWBTKO-UHFFFAOYSA-N 1 0 390.487 3.981 20 30 GHEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831231965 1024438051 /nfs/dbraw/zinc/43/80/51/1024438051.db2.gz GEHHUIBPSFTISO-UHFFFAOYSA-N 1 0 379.888 3.730 20 30 GHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C#CC(C)(C)C)cc1Cl ZINC000837480156 1024491332 /nfs/dbraw/zinc/49/13/32/1024491332.db2.gz HSXBPCWUBLFNMB-UHFFFAOYSA-N 1 0 391.943 3.790 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccc4nccnc34)CC2)C1 ZINC001138299205 1024585740 /nfs/dbraw/zinc/58/57/40/1024585740.db2.gz SPEDNHJKFONWOA-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO COc1cc2cccnc2c(N(c2nc(Cl)ncc2C#N)[C@H](C)CCC[NH3+])c1 ZINC001156750344 1033221860 /nfs/dbraw/zinc/22/18/60/1033221860.db2.gz MMTKZADABJONKG-CYBMUJFWSA-N 1 0 396.882 3.824 20 30 GHEDRO COc1cc2cccnc2c(N(c2nccc(OC)c2C#N)[C@H](C)CCC[NH3+])c1 ZINC001156750241 1033222423 /nfs/dbraw/zinc/22/24/23/1033222423.db2.gz LPYABDFKQAHWLW-OAHLLOKOSA-N 1 0 391.475 3.784 20 30 GHEDRO C#CCOc1ccc(C[N@H+](C)CCc2cccc(C(F)(F)F)n2)cc1OC ZINC001138340776 1024700701 /nfs/dbraw/zinc/70/07/01/1024700701.db2.gz BQOVEQWMIXYULM-UHFFFAOYSA-N 1 0 378.394 3.796 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC001138343119 1024705603 /nfs/dbraw/zinc/70/56/03/1024705603.db2.gz HGAPGTGRMSYSKF-GOSISDBHSA-N 1 0 388.508 3.586 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](Cc2cccc(OC)c2)[C@H](C)COC)cc1OC ZINC001138348020 1024709648 /nfs/dbraw/zinc/70/96/48/1024709648.db2.gz FEWBKQQMMDCLOM-GOSISDBHSA-N 1 0 383.488 3.753 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](C)CC(=O)OC)cc1OC ZINC001138347409 1024710568 /nfs/dbraw/zinc/71/05/68/1024710568.db2.gz WRSWBBKIEGTRSI-SFHVURJKSA-N 1 0 381.472 3.661 20 30 GHEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001156773858 1033233972 /nfs/dbraw/zinc/23/39/72/1033233972.db2.gz LPPTXQYEWASUQW-UHFFFAOYSA-N 1 0 387.600 3.582 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)nc1C)CC2 ZINC001141424079 1024999032 /nfs/dbraw/zinc/99/90/32/1024999032.db2.gz UKJFMEZWRWSASB-UHFFFAOYSA-N 1 0 383.414 3.629 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C2 ZINC001138554113 1025010846 /nfs/dbraw/zinc/01/08/46/1025010846.db2.gz ZMLPLYYACPEPTA-CTNGQTDRSA-N 1 0 397.462 3.870 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC(NC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001138556094 1025015148 /nfs/dbraw/zinc/01/51/48/1025015148.db2.gz FMSHCYPOVWYEON-UHFFFAOYSA-N 1 0 384.520 3.968 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)cc1 ZINC001138558406 1025020338 /nfs/dbraw/zinc/02/03/38/1025020338.db2.gz UDYUIEVBFUJPLB-JOCHJYFZSA-N 1 0 380.513 3.698 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559445 1025022099 /nfs/dbraw/zinc/02/20/99/1025022099.db2.gz VCODACFEQNAKIB-GPUOULLFSA-N 1 0 389.543 3.826 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c(C)s1 ZINC001138569411 1025041633 /nfs/dbraw/zinc/04/16/33/1025041633.db2.gz HXSCAGPOSDFRBL-JOCHJYFZSA-N 1 0 396.560 3.751 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)C1CC1 ZINC001138594879 1025076677 /nfs/dbraw/zinc/07/66/77/1025076677.db2.gz BCMSKZUMRKVOLZ-XZOQPEGZSA-N 1 0 375.516 3.786 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138620539 1025115377 /nfs/dbraw/zinc/11/53/77/1025115377.db2.gz RMESGRZWAHOMNJ-HSZRJFAPSA-N 1 0 392.503 3.802 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC)C2)c1O ZINC001138627101 1025125657 /nfs/dbraw/zinc/12/56/57/1025125657.db2.gz WYHPCKAUGGKABD-HXUWFJFHSA-N 1 0 381.520 3.863 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)c1O ZINC001138627214 1025127511 /nfs/dbraw/zinc/12/75/11/1025127511.db2.gz ZPKZOHBDTVEKLK-UHFFFAOYSA-N 1 0 380.488 3.985 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)c1O ZINC001138627443 1025127592 /nfs/dbraw/zinc/12/75/92/1025127592.db2.gz HRAPCDGLSDTVLN-QFIPXVFZSA-N 1 0 397.544 3.510 20 30 GHEDRO C=CCc1cccc(CN2CC[N@@H+]3C[C@H](Oc4ccc(C)cc4)C[C@H]3C2)c1O ZINC001138629031 1025129727 /nfs/dbraw/zinc/12/97/27/1025129727.db2.gz LMQZRMOCKACRBV-JTHBVZDNSA-N 1 0 378.516 3.767 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1O ZINC001138628829 1025130537 /nfs/dbraw/zinc/13/05/37/1025130537.db2.gz GOYBYMQPFDTHQO-UHFFFAOYSA-N 1 0 377.410 3.857 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CCC3)[C@H]2C1 ZINC001138660726 1025179892 /nfs/dbraw/zinc/17/98/92/1025179892.db2.gz CJKNBIVAGCVXBS-MQSCRBSSSA-N 1 0 398.547 3.537 20 30 GHEDRO C#CCOc1ccc(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC001161896747 1025480431 /nfs/dbraw/zinc/48/04/31/1025480431.db2.gz TYORLLKLLSEIDK-UHFFFAOYSA-N 1 0 384.479 3.808 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2CCC([NH3+])(Cc3ccccc3F)CC2)nc1Cl ZINC001161985441 1025520317 /nfs/dbraw/zinc/52/03/17/1025520317.db2.gz CRZKPWUXZRNMKO-UHFFFAOYSA-N 1 0 394.828 3.831 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162195160 1025661359 /nfs/dbraw/zinc/66/13/59/1025661359.db2.gz MSTMXBRHGVLDNQ-SHTZXODSSA-N 1 0 391.853 3.823 20 30 GHEDRO Cc1sc2nc(-c3cccnc3)nc(NC3(C#N)CC[NH+](C)CC3)c2c1C ZINC001162231969 1025681160 /nfs/dbraw/zinc/68/11/60/1025681160.db2.gz XMULNEMOKVRRMP-UHFFFAOYSA-N 1 0 378.505 3.770 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCC)cc1OCC)C2 ZINC001138977937 1025702997 /nfs/dbraw/zinc/70/29/97/1025702997.db2.gz IOPGBMKNEGIQGG-IFMALSPDSA-N 1 0 375.509 3.810 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001139028009 1025794325 /nfs/dbraw/zinc/79/43/25/1025794325.db2.gz IQJYWHFHIARLFB-QFIPXVFZSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccco3)C2)CC1 ZINC001139028598 1025796583 /nfs/dbraw/zinc/79/65/83/1025796583.db2.gz YUGNSOJTHWDJDZ-UHFFFAOYSA-N 1 0 380.488 3.973 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001139031771 1025801147 /nfs/dbraw/zinc/80/11/47/1025801147.db2.gz AOKBCJKMKSUPJT-MQSCRBSSSA-N 1 0 380.488 3.847 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+](CCOC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139031304 1025801309 /nfs/dbraw/zinc/80/13/09/1025801309.db2.gz ULACZUCQEBGHNE-IBGZPJMESA-N 1 0 390.524 3.709 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001139032744 1025805256 /nfs/dbraw/zinc/80/52/56/1025805256.db2.gz UFTIHHJAIJVYAU-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001139032950 1025805813 /nfs/dbraw/zinc/80/58/13/1025805813.db2.gz XCQYLNYRMGJBRT-XMMPIXPASA-N 1 0 387.483 3.752 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1OC)CC2 ZINC001141602804 1025836098 /nfs/dbraw/zinc/83/60/98/1025836098.db2.gz PBSGVJMNTYGYQK-UHFFFAOYSA-N 1 0 398.425 3.934 20 30 GHEDRO COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001141604648 1025847246 /nfs/dbraw/zinc/84/72/46/1025847246.db2.gz IFQFWXWWUWZNGS-ZIAGYGMSSA-N 1 0 389.311 3.941 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC001139117085 1025926125 /nfs/dbraw/zinc/92/61/25/1025926125.db2.gz MZXQCCAFDBLPGM-OAQYLSRUSA-N 1 0 392.927 3.890 20 30 GHEDRO N#Cc1cnc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001162900110 1025958753 /nfs/dbraw/zinc/95/87/53/1025958753.db2.gz MKRQHTGSRBBQGO-CEXWTWQISA-N 1 0 377.448 3.574 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cn(C)c4ccc(OC)cc34)C2)C1 ZINC001139149424 1025965142 /nfs/dbraw/zinc/96/51/42/1025965142.db2.gz WKWIDSPBRFFVLH-HSZRJFAPSA-N 1 0 397.519 3.797 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC001461047905 1069359950 /nfs/dbraw/zinc/35/99/50/1069359950.db2.gz NHHMBJAACSCIMZ-UHFFFAOYSA-N 1 0 379.382 3.995 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccc5cccnc5c4)C3)CC2=O)c1 ZINC001139170917 1025995314 /nfs/dbraw/zinc/99/53/14/1025995314.db2.gz VJMUKDQPUCTXBC-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO Cc1ccc2c(c1)[C@H](Nc1nc(Cl)nc3[nH]cc(C#N)c31)CC21CC[NH2+]CC1 ZINC001163024597 1026011793 /nfs/dbraw/zinc/01/17/93/1026011793.db2.gz ZOMYOVWLRFAZOQ-MRXNPFEDSA-N 1 0 392.894 3.970 20 30 GHEDRO N#CCc1ccc(OCc2ccc(Nc3ccc([C@H](C[NH3+])CO)cc3)nc2)cc1 ZINC001163054047 1026027045 /nfs/dbraw/zinc/02/70/45/1026027045.db2.gz VZONXKWLSDDSFK-HXUWFJFHSA-N 1 0 388.471 3.505 20 30 GHEDRO C=CCN(CCc1ccco1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000839549176 1026043810 /nfs/dbraw/zinc/04/38/10/1026043810.db2.gz XLMIRBHVWQGCFR-ZDUSSCGKSA-N 1 0 377.828 3.899 20 30 GHEDRO CC[NH+](CC)CCNC(=N)Nc1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001163130118 1026059313 /nfs/dbraw/zinc/05/93/13/1026059313.db2.gz VVYSMWATJQOFLX-UHFFFAOYSA-N 1 0 379.295 3.691 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001163288322 1026126939 /nfs/dbraw/zinc/12/69/39/1026126939.db2.gz CNWCURQRDSNUJZ-CELNKJIHSA-N 1 0 391.581 3.528 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001163315539 1026140818 /nfs/dbraw/zinc/14/08/18/1026140818.db2.gz PBZGYUNCKRCZLF-OAHLLOKOSA-N 1 0 381.911 3.809 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(N3CCCCC3)nc1)CC2 ZINC001139343484 1026208322 /nfs/dbraw/zinc/20/83/22/1026208322.db2.gz VUEZJNANOKWYPT-HSZRJFAPSA-N 1 0 382.552 3.605 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H](Cc2ccc(C#N)cc2)C(=O)OC)nc1 ZINC001163506336 1026218802 /nfs/dbraw/zinc/21/88/02/1026218802.db2.gz QFYPZQMDZVOFSQ-NHCUHLMSSA-N 1 0 392.503 3.696 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139403080 1026274409 /nfs/dbraw/zinc/27/44/09/1026274409.db2.gz HEJGYUJGCWCYSB-LADGPHEKSA-N 1 0 389.499 3.946 20 30 GHEDRO N#Cc1ccnc(-c2ccc(CN3CCn4cnc(COCC5CC5)c4C3)cc2)c1 ZINC001139404199 1026276261 /nfs/dbraw/zinc/27/62/61/1026276261.db2.gz VYVAKBNCNISOQK-UHFFFAOYSA-N 1 0 399.498 3.759 20 30 GHEDRO CCOc1cccc(N2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)n1 ZINC001139404898 1026277240 /nfs/dbraw/zinc/27/72/40/1026277240.db2.gz DGWWPNZSSIOCMF-UHFFFAOYSA-N 1 0 399.498 3.736 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139406625 1026279104 /nfs/dbraw/zinc/27/91/04/1026279104.db2.gz XKTOZNUMRRQBTH-FPOVZHCZSA-N 1 0 390.487 3.671 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCCN(c4ccccn4)CC3)cn2)cc1 ZINC001139424306 1026295455 /nfs/dbraw/zinc/29/54/55/1026295455.db2.gz OZMKOMFUDHIUIE-UHFFFAOYSA-N 1 0 385.471 3.853 20 30 GHEDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427700 1026298376 /nfs/dbraw/zinc/29/83/76/1026298376.db2.gz OIBXSQBFNVFWGW-JOCHJYFZSA-N 1 0 379.460 3.911 20 30 GHEDRO N#Cc1cnc2nc(Cl)ccc2c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163908882 1026358615 /nfs/dbraw/zinc/35/86/15/1026358615.db2.gz NJEPSLIKSAHVKX-UHFFFAOYSA-N 1 0 378.867 3.629 20 30 GHEDRO N#Cc1nccnc1N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC001141727895 1026360696 /nfs/dbraw/zinc/36/06/96/1026360696.db2.gz GIZLPFODQYBMLK-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1=O ZINC001139528754 1026387008 /nfs/dbraw/zinc/38/70/08/1026387008.db2.gz VOOCHCZQPFJJHH-FQEVSTJZSA-N 1 0 377.463 3.535 20 30 GHEDRO Cc1cc(N2CCN(Cc3ccc(C#N)c(F)c3)CC2)n(-c2ccccc2)n1 ZINC001139529879 1026388479 /nfs/dbraw/zinc/38/84/79/1026388479.db2.gz GARJOPMVTNQHKO-UHFFFAOYSA-N 1 0 375.451 3.514 20 30 GHEDRO CCOc1ccc(C)cc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001139603577 1026467340 /nfs/dbraw/zinc/46/73/40/1026467340.db2.gz HNQJVAXIGMVATO-DEOSSOPVSA-N 1 0 389.499 3.894 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001139649041 1026511262 /nfs/dbraw/zinc/51/12/62/1026511262.db2.gz KYMHDMBXGJHJRL-JMUQELJHSA-N 1 0 378.495 3.825 20 30 GHEDRO N#CCc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164499070 1026535285 /nfs/dbraw/zinc/53/52/85/1026535285.db2.gz KYRNWSPDWJPGCP-XUVXKRRUSA-N 1 0 376.460 3.983 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(C[C@H](Oc5cccnc5)CO4)CC3)c[nH]c21 ZINC001139704847 1026549705 /nfs/dbraw/zinc/54/97/05/1026549705.db2.gz ZKKLJGSVGFZISU-FQEVSTJZSA-N 1 0 388.471 3.637 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)cc1C#N ZINC001139723679 1026565679 /nfs/dbraw/zinc/56/56/79/1026565679.db2.gz DMAPOEMGXGWOAJ-DNVJHFABSA-N 1 0 377.488 3.600 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165087900 1026598926 /nfs/dbraw/zinc/59/89/26/1026598926.db2.gz QNRSVJSHWSDFQJ-SJORKVTESA-N 1 0 388.849 3.862 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC001165150237 1026634828 /nfs/dbraw/zinc/63/48/28/1026634828.db2.gz SYTMQLOMIJCPAB-UHFFFAOYSA-N 1 0 399.951 3.751 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N(Cc1cccnc1)C1CCC([NH3+])CC1 ZINC001165197378 1026658620 /nfs/dbraw/zinc/65/86/20/1026658620.db2.gz LDGGJTOIKCYCFO-UHFFFAOYSA-N 1 0 391.853 3.823 20 30 GHEDRO N#Cc1ccc(C(F)(F)N(Cc2cccnc2)C2CCC([NH3+])CC2)nc1Cl ZINC001165197567 1026659629 /nfs/dbraw/zinc/65/96/29/1026659629.db2.gz XLWOHLNMCMUXLK-UHFFFAOYSA-N 1 0 391.853 3.823 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165246326 1026679133 /nfs/dbraw/zinc/67/91/33/1026679133.db2.gz KHPQVBZMYFBVPM-UHFFFAOYSA-N 1 0 383.883 3.906 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)nn2)cc1 ZINC001165349933 1026708924 /nfs/dbraw/zinc/70/89/24/1026708924.db2.gz KPBVYEFWEBFVQH-FUPPJEDESA-N 1 0 381.483 3.516 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(NCC2C[NH+](Cc3ccccc3)C2)n1 ZINC001165427121 1026724299 /nfs/dbraw/zinc/72/42/99/1026724299.db2.gz JPMBCFZWTJGYOR-IBGZPJMESA-N 1 0 392.503 3.574 20 30 GHEDRO N#Cc1cc(Cl)cc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165476739 1026738396 /nfs/dbraw/zinc/73/83/96/1026738396.db2.gz NTBVOFIUIPYFHF-AZUAARDMSA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1cc2c(nc1N(c1cccc(F)c1)[C@@H]1CO[C@]3(C1)CCC[NH2+]C3)CCC2 ZINC001165479338 1026741864 /nfs/dbraw/zinc/74/18/64/1026741864.db2.gz JWJPUUSFSQRHAS-REWPJTCUSA-N 1 0 392.478 3.630 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N(c3cccc(F)c3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c1-2 ZINC001165483837 1026744226 /nfs/dbraw/zinc/74/42/26/1026744226.db2.gz YMDPCPVNWYXNJG-XMSQKQJNSA-N 1 0 391.450 3.623 20 30 GHEDRO CC(C)(C)N(c1nc(Cl)cc(Cl)c1C#N)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671846 1026792499 /nfs/dbraw/zinc/79/24/99/1026792499.db2.gz LKXZVNXJNGZMBX-GFCCVEGCSA-N 1 0 383.323 3.776 20 30 GHEDRO Cc1cccc(N(c2ncc(CC#N)cc2Cl)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165777344 1026834247 /nfs/dbraw/zinc/83/42/47/1026834247.db2.gz RSKZGSJLUWBAQO-WIYYLYMNSA-N 1 0 382.895 3.769 20 30 GHEDRO Cc1cccc(N(c2nc3c(cc2C#N)CCCC3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165777321 1026834660 /nfs/dbraw/zinc/83/46/60/1026834660.db2.gz ROQHDKOQBIFIEG-QPPBQGQZSA-N 1 0 388.515 3.800 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001165910807 1026866475 /nfs/dbraw/zinc/86/64/75/1026866475.db2.gz LSYPTSAKLDGXRQ-UHFFFAOYSA-N 1 0 393.611 3.559 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4c[nH]c5ccc(C#N)cc45)CC[N@@H+]3C2)cc1 ZINC001140114276 1026895471 /nfs/dbraw/zinc/89/54/71/1026895471.db2.gz MSIVLWVOLVILOL-RBBKRZOGSA-N 1 0 386.499 3.686 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H]4[C@@H](CCN4Cc4nccs4)C3)c2c1 ZINC001140114557 1026897238 /nfs/dbraw/zinc/89/72/38/1026897238.db2.gz XHKGMRCBYAQWJX-JXFKEZNVSA-N 1 0 377.517 3.592 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(F)c1 ZINC001140138612 1026912999 /nfs/dbraw/zinc/91/29/99/1026912999.db2.gz NAUVSDGRVUPRIW-VWNXMTODSA-N 1 0 397.538 3.658 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC2CC[NH+](C(C)C)CC2)n1 ZINC001166615819 1027040744 /nfs/dbraw/zinc/04/07/44/1027040744.db2.gz MLEQHIYXVWDSOK-WUCQSXAQSA-N 1 0 378.586 3.803 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[NH+]3CCC4(CC3)OCCc3ccccc34)n2)cc1 ZINC000840154766 1027288122 /nfs/dbraw/zinc/28/81/22/1027288122.db2.gz WLPWONUOOZSNDS-UHFFFAOYSA-N 1 0 384.483 3.943 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cc4ccc(F)cc4[nH]c3=O)CCOCC2)cc1 ZINC001203363834 1027293549 /nfs/dbraw/zinc/29/35/49/1027293549.db2.gz XGYBSLAYCUXCBU-UHFFFAOYSA-N 1 0 377.419 3.747 20 30 GHEDRO CSc1nc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)ccc1C#N ZINC001141931483 1027690099 /nfs/dbraw/zinc/69/00/99/1027690099.db2.gz AGPYXPJXBOUAMQ-DOTOQJQBSA-N 1 0 388.537 3.506 20 30 GHEDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccc(C#N)cc4)C3)C2)cc1 ZINC001203901415 1027694375 /nfs/dbraw/zinc/69/43/75/1027694375.db2.gz CESOGHUVQWIDQL-DEOSSOPVSA-N 1 0 391.515 3.686 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)c2cc(C)ccc21 ZINC001203901285 1027695083 /nfs/dbraw/zinc/69/50/83/1027695083.db2.gz KECLXUWLYHFNKC-QFIPXVFZSA-N 1 0 388.515 3.774 20 30 GHEDRO CSc1nc(CN2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)ccc1C#N ZINC001141934645 1027700496 /nfs/dbraw/zinc/70/04/96/1027700496.db2.gz SGBJITPFXQKJFB-WOJBJXKFSA-N 1 0 378.545 3.547 20 30 GHEDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001203967764 1027765722 /nfs/dbraw/zinc/76/57/22/1027765722.db2.gz RTILFHHGAKCALP-HSZRJFAPSA-N 1 0 375.472 3.586 20 30 GHEDRO C=CCN1c2ccc(Nc3ccc(C[NH2+]C)cc3)cc2C2(CCOCC2)C1=O ZINC001211129236 1027801324 /nfs/dbraw/zinc/80/13/24/1027801324.db2.gz BGHGLKLFWIKSOS-UHFFFAOYSA-N 1 0 377.488 3.730 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](Cc2nccs2)C1)C(C)C ZINC001211221479 1027841872 /nfs/dbraw/zinc/84/18/72/1027841872.db2.gz FDTVJUYWFOWVHM-MOPGFXCFSA-N 1 0 390.597 3.806 20 30 GHEDRO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCN(CC(F)F)C2=O)CC1 ZINC001276439047 1027854004 /nfs/dbraw/zinc/85/40/04/1027854004.db2.gz SOFQDLUYFJPKKZ-LJQANCHMSA-N 1 0 381.854 3.681 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001211321741 1027908833 /nfs/dbraw/zinc/90/88/33/1027908833.db2.gz RHGODHAZUILFIV-KDURUIRLSA-N 1 0 382.552 3.815 20 30 GHEDRO Cc1ccc(Cl)c(-c2noc([C@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)c1 ZINC001211379966 1027931322 /nfs/dbraw/zinc/93/13/22/1027931322.db2.gz SNAWLDUTIXCOLU-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@@H](O)[C@@H]([NH3+])Cc3ccccc3)n2)c(C#N)c1 ZINC001211381618 1027931948 /nfs/dbraw/zinc/93/19/48/1027931948.db2.gz KFBFMGTUQZHMSI-OALUTQOASA-N 1 0 376.460 3.509 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC4(C3)CC[NH2+]CC4)cc2)c1 ZINC000841113706 1028158377 /nfs/dbraw/zinc/15/83/77/1028158377.db2.gz UZNKPGVBMTVBIG-UHFFFAOYSA-N 1 0 376.460 3.958 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)cc2)CC1 ZINC001461358752 1069517578 /nfs/dbraw/zinc/51/75/78/1069517578.db2.gz JXLBGIBSDQLXEV-MRXNPFEDSA-N 1 0 383.854 3.929 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001142196158 1028338618 /nfs/dbraw/zinc/33/86/18/1028338618.db2.gz CJVZWLKOLJDNLT-NZQKXSOJSA-N 1 0 387.520 3.968 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)OC[C@@H]2CCC[NH2+]2)cc1 ZINC000841277941 1028364254 /nfs/dbraw/zinc/36/42/54/1028364254.db2.gz PHPWWGFISAVTQR-SFHVURJKSA-N 1 0 399.516 3.877 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1C#N ZINC000841324691 1028430603 /nfs/dbraw/zinc/43/06/03/1028430603.db2.gz GUKURBSROZDKOI-UHFFFAOYSA-N 1 0 397.410 3.555 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)CC#N)cc2Cl)CC1 ZINC001214895428 1028956451 /nfs/dbraw/zinc/95/64/51/1028956451.db2.gz FQLDAQQVVQGZDQ-UHFFFAOYSA-N 1 0 391.947 3.933 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001214911581 1028962805 /nfs/dbraw/zinc/96/28/05/1028962805.db2.gz AUADCVVOVXERCQ-LJQANCHMSA-N 1 0 378.476 3.741 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001215189147 1029080144 /nfs/dbraw/zinc/08/01/44/1029080144.db2.gz RFMPWBVZTZWLCW-NRFANRHFSA-N 1 0 376.504 3.723 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001142638670 1029196390 /nfs/dbraw/zinc/19/63/90/1029196390.db2.gz FCSQQPJMWZNBHT-NRFANRHFSA-N 1 0 393.556 3.989 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001215510050 1029247041 /nfs/dbraw/zinc/24/70/41/1029247041.db2.gz IHUSJWTWUYDFAB-LJQANCHMSA-N 1 0 387.499 3.956 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccccc2C#Cc2ccccc2)CCSC1 ZINC001215639665 1029321288 /nfs/dbraw/zinc/32/12/88/1029321288.db2.gz QZMXCGWKTOCEOV-JOCHJYFZSA-N 1 0 379.529 3.645 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1C#N ZINC001461535722 1069597006 /nfs/dbraw/zinc/59/70/06/1069597006.db2.gz XGKNIXQDAGYYNM-YWZLYKJASA-N 1 0 381.451 3.548 20 30 GHEDRO COc1ccc(Nc2ccc(C)c(C#N)c2)cc1OCCCN1CC[NH+](C)CC1 ZINC001216077027 1029517447 /nfs/dbraw/zinc/51/74/47/1029517447.db2.gz UCQVXEBSFJDAJE-UHFFFAOYSA-N 1 0 394.519 3.635 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001142900083 1029661066 /nfs/dbraw/zinc/66/10/66/1029661066.db2.gz GIRWVDSLKKRJCK-LEWJYISDSA-N 1 0 395.453 3.918 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001142915933 1029688791 /nfs/dbraw/zinc/68/87/91/1029688791.db2.gz JTBQRHVJIHTVJB-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@]4(CC(=O)N(c5ccc(F)cc5)C4)C3)c[nH]c2c1 ZINC001142917082 1029690537 /nfs/dbraw/zinc/69/05/37/1029690537.db2.gz RGZJRUVOLDQFCO-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)c[nH]c2c1 ZINC001142928650 1029709817 /nfs/dbraw/zinc/70/98/17/1029709817.db2.gz GATODLQKWJFROB-NFBKMPQASA-N 1 0 379.504 3.695 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(-c3ccccc3)nn1C)C2 ZINC001143008896 1029779103 /nfs/dbraw/zinc/77/91/03/1029779103.db2.gz CADQJJVJWXWCRV-GOTSBHOMSA-N 1 0 381.520 3.661 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3cccc(C(C)(C)C#N)c3)n2)CC1 ZINC001216843264 1029959231 /nfs/dbraw/zinc/95/92/31/1029959231.db2.gz DUFNHSJEJNFDCE-UHFFFAOYSA-N 1 0 387.487 3.957 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4cc(C#N)ccc4Cl)n3)cc2)CC1 ZINC001216974683 1030045553 /nfs/dbraw/zinc/04/55/53/1030045553.db2.gz FLYIGCHVGPWRSU-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001461606724 1069638174 /nfs/dbraw/zinc/63/81/74/1069638174.db2.gz ZSXYPJZNQVXUGV-QHCPKHFHSA-N 1 0 390.531 3.607 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc(-c3nnn4c3C[NH2+]CC4)n2)cc1 ZINC001217217529 1030243110 /nfs/dbraw/zinc/24/31/10/1030243110.db2.gz QSMXWDAJJANAMN-UHFFFAOYSA-N 1 0 396.495 3.838 20 30 GHEDRO N#Cc1ccc2[nH]nc(-c3nc(-c4ncccc4C=C[NH+]4CCCC4)no3)c2c1 ZINC001217404035 1030370674 /nfs/dbraw/zinc/37/06/74/1030370674.db2.gz CQOBSPJZDPIFHG-YRNVUSSQSA-N 1 0 383.415 3.613 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)NCC34CCC[NH+](CCC3)C4)c2)cc1 ZINC001150043334 1030382158 /nfs/dbraw/zinc/38/21/58/1030382158.db2.gz HDTLJUAVUXBGTQ-UHFFFAOYSA-N 1 0 375.472 3.956 20 30 GHEDRO C#CC[C@H](COC)[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC001461671826 1069669997 /nfs/dbraw/zinc/66/99/97/1069669997.db2.gz QHHGASZHOMBOGO-GFCCVEGCSA-N 1 0 375.104 3.648 20 30 GHEDRO C=CCCSCCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001223345493 1030530984 /nfs/dbraw/zinc/53/09/84/1030530984.db2.gz VHLGBUCLXZHXLU-ROUUACIJSA-N 1 0 375.582 3.752 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CCC[NH2+]C[C@@H]3F)c3ccccc23)ccc1F ZINC001217947187 1030680289 /nfs/dbraw/zinc/68/02/89/1030680289.db2.gz JLPWBEFYHPGKTK-PZJWPPBQSA-N 1 0 394.425 3.700 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CCC[NH2+]C[C@@H]2C)c1 ZINC001217990062 1030708235 /nfs/dbraw/zinc/70/82/35/1030708235.db2.gz OAGFNEOLLKFSPI-ZKVBHUARSA-N 1 0 397.471 3.769 20 30 GHEDRO CCCCCCCC(=O)CCc1ccc(O[C@@H]2C[NH2+]CCOC2)c(OC)c1 ZINC001218045767 1030740230 /nfs/dbraw/zinc/74/02/30/1030740230.db2.gz RIWJMHLXOVSDFY-HXUWFJFHSA-N 1 0 377.525 3.925 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@H]2CC[NH2+]C[C@@H]2F)c(O)c1 ZINC001218066039 1030753465 /nfs/dbraw/zinc/75/34/65/1030753465.db2.gz IZHPJPHDUDERBO-YJBOKZPZSA-N 1 0 383.460 3.694 20 30 GHEDRO Cc1cc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218137179 1030791388 /nfs/dbraw/zinc/79/13/88/1030791388.db2.gz LBVOSANEBKTCDF-LMRAMTDJSA-N 1 0 393.483 3.988 20 30 GHEDRO COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001223892056 1030794984 /nfs/dbraw/zinc/79/49/84/1030794984.db2.gz ZZCVPEZSFNLEIE-JEBJBBSMSA-N 1 0 388.439 3.660 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(/C=C/C(=O)CCCCc2ccc(O)cc2)cc1 ZINC001218201037 1030825883 /nfs/dbraw/zinc/82/58/83/1030825883.db2.gz JSSFAPJHBWGHLW-WBEXLQQMSA-N 1 0 390.483 3.878 20 30 GHEDRO CC(C)c1cc(Br)c(O[C@H]2C[NH2+]C[C@@H]2C#N)c(Br)c1 ZINC001218203992 1030826993 /nfs/dbraw/zinc/82/69/93/1030826993.db2.gz UHGZOEQWKCDQME-GWCFXTLKSA-N 1 0 388.103 3.825 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(I)cccc1C(F)(F)F ZINC001218206371 1030829523 /nfs/dbraw/zinc/82/95/23/1030829523.db2.gz BBGFHNSGHKEQTJ-LLVKDONJSA-N 1 0 383.151 3.607 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC001218250361 1030854007 /nfs/dbraw/zinc/85/40/07/1030854007.db2.gz LYWSDWKCYKHNBB-YFVAEKQCSA-N 1 0 391.467 3.918 20 30 GHEDRO CCCCCCC[C@@H](CCC)Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c1=O ZINC001218355695 1030908633 /nfs/dbraw/zinc/90/86/33/1030908633.db2.gz UOZTYOTZXBRVHK-OAHLLOKOSA-N 1 0 395.544 3.669 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224171018 1030911779 /nfs/dbraw/zinc/91/17/79/1030911779.db2.gz VWDMGDJSNJASHC-IBGZPJMESA-N 1 0 382.435 3.665 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218409586 1030927133 /nfs/dbraw/zinc/92/71/33/1030927133.db2.gz VQBQTRUEMMWBDT-HXUWFJFHSA-N 1 0 387.483 3.635 20 30 GHEDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001218416363 1030930541 /nfs/dbraw/zinc/93/05/41/1030930541.db2.gz SGHTUDNSKTTYDI-DLWQKKNMSA-N 1 0 379.504 3.697 20 30 GHEDRO CC1(C)C[C@H](Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)CC[NH2+]1 ZINC001218474869 1030952298 /nfs/dbraw/zinc/95/22/98/1030952298.db2.gz BQHRPBJLIRHYTI-FUPAGNOBSA-N 1 0 379.504 3.840 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC001461724353 1069703911 /nfs/dbraw/zinc/70/39/11/1069703911.db2.gz PAAAJCDIYDMSDK-WMZHIEFXSA-N 1 0 391.515 3.695 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224389774 1030983147 /nfs/dbraw/zinc/98/31/47/1030983147.db2.gz UIFMUQMZUCIZMP-UPVQGACJSA-N 1 0 375.516 3.962 20 30 GHEDRO N#Cc1c(NC(=O)C[C@@H]2COCC[NH2+]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218555380 1030985552 /nfs/dbraw/zinc/98/55/52/1030985552.db2.gz ZSSNVRGPWZDWQR-GOSISDBHSA-N 1 0 387.439 3.802 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001218560359 1030986440 /nfs/dbraw/zinc/98/64/40/1030986440.db2.gz QEIHSWOXICOZIM-OAHLLOKOSA-N 1 0 378.398 3.642 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccc(Cl)cc12 ZINC001218558910 1030986762 /nfs/dbraw/zinc/98/67/62/1030986762.db2.gz MCSAIXJDDIBOIA-INIZCTEOSA-N 1 0 383.883 3.758 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)Nc2c(C#N)oc3ccccc32)cc1 ZINC001218629158 1031011103 /nfs/dbraw/zinc/01/11/03/1031011103.db2.gz YWGBUCXPLHUESO-KRWDZBQOSA-N 1 0 377.444 3.990 20 30 GHEDRO C#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001224761942 1031106223 /nfs/dbraw/zinc/10/62/23/1031106223.db2.gz JDBDKAJGTQIYGX-RBZQAINGSA-N 1 0 387.527 3.768 20 30 GHEDRO C=CCCSCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001224762001 1031106741 /nfs/dbraw/zinc/10/67/41/1031106741.db2.gz JZKWTOAXKXCJPZ-NJDAHSKKSA-N 1 0 387.593 3.896 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@H]2C[C@H](c3ccccc3)CC[NH2+]2)c(OC(F)(F)F)c1 ZINC001218840012 1031106999 /nfs/dbraw/zinc/10/69/99/1031106999.db2.gz KEYONUBAIBVYIV-NVXWUHKLSA-N 1 0 389.377 3.931 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3sc(Cl)nc3c2)C1 ZINC001218901369 1031141032 /nfs/dbraw/zinc/14/10/32/1031141032.db2.gz IYXPNAKRBZCYIK-PXAZEXFGSA-N 1 0 396.903 3.981 20 30 GHEDRO Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)Nc3ccc4nc(C#N)sc4c3)C2)c1 ZINC001218910215 1031147863 /nfs/dbraw/zinc/14/78/63/1031147863.db2.gz FYARXNGCANZYEB-QAPCUYQASA-N 1 0 376.485 3.636 20 30 GHEDRO N#Cc1cc(NC(=O)[C@]2([NH3+])CCc3cc(F)ccc3C2)ccc1N1CCCCC1 ZINC001218943846 1031168440 /nfs/dbraw/zinc/16/84/40/1031168440.db2.gz CLAANWPHUHOODZ-QHCPKHFHSA-N 1 0 392.478 3.513 20 30 GHEDRO N#Cc1cc(NC(=O)C[C@@H]([NH3+])CSc2ccccc2)ccc1N1CCCCC1 ZINC001218943812 1031168850 /nfs/dbraw/zinc/16/88/50/1031168850.db2.gz BIZDLIGKFNOTTC-GOSISDBHSA-N 1 0 394.544 3.997 20 30 GHEDRO CSc1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc1C#N ZINC001461751712 1069724198 /nfs/dbraw/zinc/72/41/98/1069724198.db2.gz FUVYEYDUDQMCII-UHFFFAOYSA-N 1 0 378.400 3.900 20 30 GHEDRO CC(C)[C@@H](CO[C@H]1CCN(Cc2ccccc2C#N)C1)NC(=O)OC(C)(C)C ZINC001225192659 1031303656 /nfs/dbraw/zinc/30/36/56/1031303656.db2.gz XHXPXHQDRISVKB-VQTJNVASSA-N 1 0 387.524 3.698 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(F)c(Br)c3F)CC2)C1=O ZINC001277028771 1031325463 /nfs/dbraw/zinc/32/54/63/1031325463.db2.gz QVSNGBUXHBJXLN-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)Nc2ccccc2C(=O)OC/C=C/c2ccccc2)C1 ZINC001219388514 1031390446 /nfs/dbraw/zinc/39/04/46/1031390446.db2.gz CNHAXVHXZOAJME-HDFUYHJRSA-N 1 0 376.456 3.804 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)c1cncc2c1CC[NH2+]C2 ZINC001219482825 1031450762 /nfs/dbraw/zinc/45/07/62/1031450762.db2.gz JHPSLSNXJJBTEI-UHFFFAOYSA-N 1 0 383.955 3.862 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001219483269 1031451044 /nfs/dbraw/zinc/45/10/44/1031451044.db2.gz SACWSDFZTNXWFV-SFHVURJKSA-N 1 0 385.971 3.780 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(CC#N)n1 ZINC001219940519 1031707688 /nfs/dbraw/zinc/70/76/88/1031707688.db2.gz XHLTUOLFWHQNQP-RCCFBDPRSA-N 1 0 377.492 3.663 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1Br ZINC001276809500 1031726853 /nfs/dbraw/zinc/72/68/53/1031726853.db2.gz GUSFAEPUZAAMFS-QZTJIDSGSA-N 1 0 377.326 3.899 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(C)cccc1Br ZINC001276810150 1031758519 /nfs/dbraw/zinc/75/85/19/1031758519.db2.gz PYNJDIXPKGJMPN-LJQANCHMSA-N 1 0 377.326 3.901 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)cc2n1 ZINC001220157787 1031806590 /nfs/dbraw/zinc/80/65/90/1031806590.db2.gz VWEDKPRWKNCOEE-FQEVSTJZSA-N 1 0 375.476 3.618 20 30 GHEDRO Cc1nc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1Br ZINC001226200887 1031846914 /nfs/dbraw/zinc/84/69/14/1031846914.db2.gz KSNUGLDCFJHCSR-MRXNPFEDSA-N 1 0 386.293 3.986 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001226304843 1031909419 /nfs/dbraw/zinc/90/94/19/1031909419.db2.gz GDZNCRXZGUZLQL-NGRWLJPCSA-N 1 0 376.456 3.634 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 ZINC001220390663 1031924877 /nfs/dbraw/zinc/92/48/77/1031924877.db2.gz KJKKFTOYCPCWQO-OAQYLSRUSA-N 1 0 392.503 3.568 20 30 GHEDRO [NH2+]=C(NC(O)=CNc1ccc(Br)cc1)c1ccc2cc(O)ccc2c1 ZINC001220633916 1032032973 /nfs/dbraw/zinc/03/29/73/1032032973.db2.gz DENSNKKDCQQJHK-UHFFFAOYSA-N 1 0 398.260 3.652 20 30 GHEDRO N=C(NC(=O)[C@@H]([NH3+])Cc1cccc2ccccc21)c1ccc2cc(O)ccc2c1 ZINC001220634823 1032033901 /nfs/dbraw/zinc/03/39/01/1032033901.db2.gz VQYGYQMHRVSNHI-QFIPXVFZSA-N 1 0 383.451 3.501 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205459121 1033422465 /nfs/dbraw/zinc/42/24/65/1033422465.db2.gz CCQKUDIHFJDMRR-RXVVDRJESA-N 1 0 391.462 3.868 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ccc1F ZINC001205467000 1033425569 /nfs/dbraw/zinc/42/55/69/1033425569.db2.gz FPFNBBZEKNHODW-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO N#Cc1cc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)ccc1F ZINC001205467133 1033425863 /nfs/dbraw/zinc/42/58/63/1033425863.db2.gz JTQXSNUSYUXUMT-VWNXMTODSA-N 1 0 397.538 3.658 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)ccc1F ZINC001205472502 1033428027 /nfs/dbraw/zinc/42/80/27/1033428027.db2.gz DUIUSNBZKQJMCY-FQEVSTJZSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)ccc1F ZINC001205472829 1033428996 /nfs/dbraw/zinc/42/89/96/1033428996.db2.gz JJFDNCKVYPASNY-XZOQPEGZSA-N 1 0 395.478 3.680 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)c2cccc3c(C#N)c[nH]c32)CC1 ZINC001157167615 1033443664 /nfs/dbraw/zinc/44/36/64/1033443664.db2.gz CSCGAYOPXSEIMW-UHFFFAOYSA-N 1 0 390.462 3.915 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)C1 ZINC001229383164 1033450491 /nfs/dbraw/zinc/45/04/91/1033450491.db2.gz CYXPPTBGCWLKSC-FSLLGGKJSA-N 1 0 379.504 3.793 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CCCC[C@@]23CCC[NH2+]C3)c1C#N ZINC001157471713 1033608368 /nfs/dbraw/zinc/60/83/68/1033608368.db2.gz NEUMUDVBHYQDOX-NRFANRHFSA-N 1 0 379.533 3.850 20 30 GHEDRO C=CCCSCCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001229654199 1033618657 /nfs/dbraw/zinc/61/86/57/1033618657.db2.gz YKEKOKAPGJKBTQ-FQEVSTJZSA-N 1 0 375.582 3.897 20 30 GHEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1csc(C#N)c1)C(C)C ZINC001206287937 1033784133 /nfs/dbraw/zinc/78/41/33/1033784133.db2.gz ROXZAYABZFADOS-INIZCTEOSA-N 1 0 376.547 3.992 20 30 GHEDRO C[NH+](C)CC(C)(C)CNC(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001157948320 1033831797 /nfs/dbraw/zinc/83/17/97/1033831797.db2.gz CSFWMBQNSVVJDF-UHFFFAOYSA-N 1 0 393.869 3.895 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001158040403 1033878367 /nfs/dbraw/zinc/87/83/67/1033878367.db2.gz WCMUZOOVNJJWRB-LJQANCHMSA-N 1 0 379.426 3.963 20 30 GHEDRO COc1ccnc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)c1C#N ZINC001158088862 1033909794 /nfs/dbraw/zinc/90/97/94/1033909794.db2.gz RSRAZTLBZYOBEU-UHFFFAOYSA-N 1 0 390.409 3.739 20 30 GHEDRO C#Cc1cccc(N(c2cc[nH+]c(N)c2)c2ncnc3cc(OC)c(N)cc32)c1 ZINC001206583852 1033915097 /nfs/dbraw/zinc/91/50/97/1033915097.db2.gz CBIRAWDOZBHRMJ-UHFFFAOYSA-N 1 0 382.427 3.649 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158166622 1033947883 /nfs/dbraw/zinc/94/78/83/1033947883.db2.gz LDGGJTOIKCYCFO-WKILWMFISA-N 1 0 391.853 3.823 20 30 GHEDRO CCOC(=O)/C=C/c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001230402765 1034035948 /nfs/dbraw/zinc/03/59/48/1034035948.db2.gz RKURKQDDOWTQHT-FQTAANOTSA-N 1 0 376.456 3.788 20 30 GHEDRO N#Cc1cnc(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)cn1 ZINC001158418248 1034071666 /nfs/dbraw/zinc/07/16/66/1034071666.db2.gz PCNVJHUNTSGHDG-UHFFFAOYSA-N 1 0 381.483 3.650 20 30 GHEDRO C=CCN(CC[NH+]1CCC(COc2cccnc2)CC1)C(=O)OC(C)(C)C ZINC001207199633 1034170256 /nfs/dbraw/zinc/17/02/56/1034170256.db2.gz OKSPYUKQZSXNIM-UHFFFAOYSA-N 1 0 375.513 3.596 20 30 GHEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC#C[C@@H]2CCCCO2)c1 ZINC001158993617 1034373935 /nfs/dbraw/zinc/37/39/35/1034373935.db2.gz RJAIWLFXUKULEH-QHCPKHFHSA-N 1 0 376.500 3.621 20 30 GHEDRO CC1CCN(C(=O)c2ccc(Nc3sc4c(c3C#N)CC[NH2+]C4)cc2)CC1 ZINC001159154562 1034457383 /nfs/dbraw/zinc/45/73/83/1034457383.db2.gz ZWVBNEVIEJHTDJ-UHFFFAOYSA-N 1 0 380.517 3.881 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)C3)C2)c1 ZINC001207627090 1034497198 /nfs/dbraw/zinc/49/71/98/1034497198.db2.gz RCWUICVJFTXMLQ-AYEXWZOKSA-N 1 0 377.532 3.689 20 30 GHEDRO CC(C)(C)OC(=O)c1c(Nc2ccccc2OCC#N)sc2c1CC[NH2+]C2 ZINC001159272941 1034516635 /nfs/dbraw/zinc/51/66/35/1034516635.db2.gz SNESHMOJJOTIBB-UHFFFAOYSA-N 1 0 385.489 3.995 20 30 GHEDRO Cc1cc(C[NH+]2CCC3(CO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)ccc1C#N ZINC001207700199 1034533411 /nfs/dbraw/zinc/53/34/11/1034533411.db2.gz MXRZAUVASXPLCQ-FQEVSTJZSA-N 1 0 399.535 3.763 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cccc(Br)c3C)C2)C1=O ZINC001277509358 1034537904 /nfs/dbraw/zinc/53/79/04/1034537904.db2.gz FEHLAOSJWHPQQN-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO Cc1c(Br)cccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001277510244 1034546180 /nfs/dbraw/zinc/54/61/80/1034546180.db2.gz NANDBSWYDVOCKF-QZTJIDSGSA-N 1 0 390.325 3.627 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(OCCCOC)cc1)CCO2 ZINC001231505033 1034650459 /nfs/dbraw/zinc/65/04/59/1034650459.db2.gz KIQCEDJHHUITAF-JTHBVZDNSA-N 1 0 389.536 3.676 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001159634902 1034699031 /nfs/dbraw/zinc/69/90/31/1034699031.db2.gz SZCZVTHQCUSDLP-ZWKOTPCHSA-N 1 0 377.326 3.750 20 30 GHEDRO N#Cc1cc(Nc2cccc(O[C@@H]3CCCCO3)c2)ccc1N1CC[NH2+]CC1 ZINC001159742745 1034731393 /nfs/dbraw/zinc/73/13/93/1034731393.db2.gz LXJNNBZVVMKLQL-JOCHJYFZSA-N 1 0 378.476 3.617 20 30 GHEDRO N#Cc1c(F)c(Br)ccc1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159790353 1034742377 /nfs/dbraw/zinc/74/23/77/1034742377.db2.gz WXYXTOJENJCQGQ-UHFFFAOYSA-N 1 0 375.245 3.613 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)CC1 ZINC001208174730 1034772548 /nfs/dbraw/zinc/77/25/48/1034772548.db2.gz JDZWUUGAULXANM-CTNGQTDRSA-N 1 0 382.552 3.503 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)CC1 ZINC001208175149 1034773895 /nfs/dbraw/zinc/77/38/95/1034773895.db2.gz OGIUFUPBFXPTFR-YMPZKCBVSA-N 1 0 380.532 3.762 20 30 GHEDRO COc1cc(C#N)ccc1CN1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618538 1034775580 /nfs/dbraw/zinc/77/55/80/1034775580.db2.gz NWGPISQAVVIWNK-WWPVKYPJSA-N 1 0 390.531 3.694 20 30 GHEDRO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC001231620872 1034777665 /nfs/dbraw/zinc/77/76/65/1034777665.db2.gz OMOXHUDGSKSMHW-IRLDBZIGSA-N 1 0 378.472 3.878 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 ZINC001231621957 1034779362 /nfs/dbraw/zinc/77/93/62/1034779362.db2.gz MVJJRDQUIOIXTB-UHFFFAOYSA-N 1 0 392.499 3.649 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)c1 ZINC001231621970 1034780139 /nfs/dbraw/zinc/78/01/39/1034780139.db2.gz NBSCBKQKCVEGPF-DEOSSOPVSA-N 1 0 392.499 3.889 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@H]3O[C@H](COCc4csc(C)n4)CC[C@H]32)c1 ZINC001231657856 1034814943 /nfs/dbraw/zinc/81/49/43/1034814943.db2.gz VUKBDNCJUVZEKP-BHDDXSALSA-N 1 0 382.529 3.772 20 30 GHEDRO N#CC1(Nc2ccnc(-c3nccs3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001160107986 1034863965 /nfs/dbraw/zinc/86/39/65/1034863965.db2.gz AZZFPZIOFLRBKL-UHFFFAOYSA-N 1 0 376.489 3.570 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160111786 1034865785 /nfs/dbraw/zinc/86/57/85/1034865785.db2.gz ADUYOFWSYRRCES-UHFFFAOYSA-N 1 0 377.879 3.782 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001208361736 1034870636 /nfs/dbraw/zinc/87/06/36/1034870636.db2.gz MJPHNBHPQQICSW-UONOGXRCSA-N 1 0 391.562 3.623 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1c(C)sc(C)c1C(=O)OC)C(C)C ZINC001208526241 1034924643 /nfs/dbraw/zinc/92/46/43/1034924643.db2.gz CXPPNTIQGHKNDI-MRXNPFEDSA-N 1 0 393.553 3.972 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231818171 1034927241 /nfs/dbraw/zinc/92/72/41/1034927241.db2.gz KFLROLODAHQKNT-GOSISDBHSA-N 1 0 386.540 3.868 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001160284185 1034928138 /nfs/dbraw/zinc/92/81/38/1034928138.db2.gz ZIYJVSVFMKMZDG-GMAHTHKFSA-N 1 0 387.543 3.856 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc(OC)c1OC ZINC001231819698 1034928442 /nfs/dbraw/zinc/92/84/42/1034928442.db2.gz FXKRDDQJFDIYKX-UHFFFAOYSA-N 1 0 383.492 3.694 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001231821977 1034929358 /nfs/dbraw/zinc/92/93/58/1034929358.db2.gz QGBPVRRVQZDLAD-QFIPXVFZSA-N 1 0 391.515 3.992 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4c3cccc4OC)C2)C1 ZINC001231895327 1034973799 /nfs/dbraw/zinc/97/37/99/1034973799.db2.gz MHLZKYZNZPRWOY-JOCHJYFZSA-N 1 0 383.492 3.787 20 30 GHEDRO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](C)c1cccc2ccccc21 ZINC001208708601 1034987835 /nfs/dbraw/zinc/98/78/35/1034987835.db2.gz YONJKJQPJQJXKF-VGSWGCGISA-N 1 0 376.504 3.874 20 30 GHEDRO N#Cc1cc(Cl)cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160619384 1035018598 /nfs/dbraw/zinc/01/85/98/1035018598.db2.gz VSMHFYJMXHTYIM-WOJBJXKFSA-N 1 0 380.835 3.871 20 30 GHEDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001160665482 1035029203 /nfs/dbraw/zinc/02/92/03/1035029203.db2.gz LRINUKMWRUDRQA-FXAWDEMLSA-N 1 0 389.478 3.873 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(F)cc1Br)CC2 ZINC001277597039 1035029731 /nfs/dbraw/zinc/02/97/31/1035029731.db2.gz VTXDDHYXDLXKGB-INIZCTEOSA-N 1 0 395.316 3.801 20 30 GHEDRO N#CCN(Cc1ccccc1)C(=O)C[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC001160668466 1035029984 /nfs/dbraw/zinc/02/99/84/1035029984.db2.gz UIESJBKAEBORKV-GOSISDBHSA-N 1 0 375.394 3.518 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(C(F)(F)F)cnc3Cl)C2)C1=O ZINC001232008511 1035040247 /nfs/dbraw/zinc/04/02/47/1035040247.db2.gz XOAMGBGVNBFVJG-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](CCCc1cccc(C#N)c1)CCO2 ZINC001208846308 1035054819 /nfs/dbraw/zinc/05/48/19/1035054819.db2.gz ZNLJYXAAGDFUQE-UHFFFAOYSA-N 1 0 399.535 3.593 20 30 GHEDRO CCN(CC)C(=O)c1nc2c(s1)CC[N@H+](CCCc1cccc(C#N)c1)CC2 ZINC001208851752 1035057722 /nfs/dbraw/zinc/05/77/22/1035057722.db2.gz KMDIWVOWKCKNNB-UHFFFAOYSA-N 1 0 396.560 3.530 20 30 GHEDRO N#Cc1cc(C#N)c(-n2cc(C[NH3+])c3ccc(Br)cc32)nc1Cl ZINC001160756723 1035058209 /nfs/dbraw/zinc/05/82/09/1035058209.db2.gz DBOUZZLBQSZDEJ-UHFFFAOYSA-N 1 0 386.640 3.643 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)cc1 ZINC001208858017 1035062896 /nfs/dbraw/zinc/06/28/96/1035062896.db2.gz CELMSISMCBDXGC-RBZQAINGSA-N 1 0 391.515 3.725 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](CCCc3ccc(C#N)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001208861164 1035063759 /nfs/dbraw/zinc/06/37/59/1035063759.db2.gz DXVCUHCQNSTTOK-NOZRDPDXSA-N 1 0 387.527 3.829 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CCCc3ccc(C#N)cc3)C[C@H]12 ZINC001208862144 1035064496 /nfs/dbraw/zinc/06/44/96/1035064496.db2.gz UNJPKXDRMQLZPP-LOSJGSFVSA-N 1 0 387.527 3.755 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCCc2ccc(C#N)cc2)CCC1(F)F ZINC001208864927 1035065552 /nfs/dbraw/zinc/06/55/52/1035065552.db2.gz ZOCLJARRELJCOM-QGZVFWFLSA-N 1 0 379.451 3.725 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925613 1035091737 /nfs/dbraw/zinc/09/17/37/1035091737.db2.gz JSFCCQGAUCXEJF-DENIHFKCSA-N 1 0 387.499 3.772 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)cc1 ZINC001208927150 1035091750 /nfs/dbraw/zinc/09/17/50/1035091750.db2.gz QNCOKJMOYBCGCK-FYYLOGMGSA-N 1 0 395.478 3.585 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925614 1035091787 /nfs/dbraw/zinc/09/17/87/1035091787.db2.gz JSFCCQGAUCXEJF-KNQAVFIVSA-N 1 0 387.499 3.772 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)cc1 ZINC001208927153 1035093090 /nfs/dbraw/zinc/09/30/90/1035093090.db2.gz QNCOKJMOYBCGCK-JTHBVZDNSA-N 1 0 395.478 3.585 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1Cl ZINC001232112961 1035101602 /nfs/dbraw/zinc/10/16/02/1035101602.db2.gz NRNZKPTUPBXSLX-IBGZPJMESA-N 1 0 383.879 3.809 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@]12CCC(=O)N2CCOC ZINC001232114112 1035102383 /nfs/dbraw/zinc/10/23/83/1035102383.db2.gz DCYXOYGJDMPGPU-FPOVZHCZSA-N 1 0 389.927 3.594 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)cc1Cl ZINC001232114179 1035103721 /nfs/dbraw/zinc/10/37/21/1035103721.db2.gz FBXIHQPRGBDJSR-LJQANCHMSA-N 1 0 379.891 3.850 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232117884 1035105634 /nfs/dbraw/zinc/10/56/34/1035105634.db2.gz GJYYBLFXNQHIHQ-QGZVFWFLSA-N 1 0 393.915 3.669 20 30 GHEDRO C#CC[C@H]([NH3+])C(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1 ZINC001160959112 1035105686 /nfs/dbraw/zinc/10/56/86/1035105686.db2.gz NEHOHPBEIFMQPS-OZMZSSPSSA-N 1 0 398.506 3.532 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccc(C#N)c(Cl)c4)C3)CC2=O)c1 ZINC001232119499 1035106489 /nfs/dbraw/zinc/10/64/89/1035106489.db2.gz DZVJBGPXLQUVFW-JOCHJYFZSA-N 1 0 390.874 3.712 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cccn3Cc3ccccc3)C2)CC1 ZINC001232230925 1035174140 /nfs/dbraw/zinc/17/41/40/1035174140.db2.gz DSWYJYNWSMCDLS-UHFFFAOYSA-N 1 0 379.504 3.757 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3nccc4ccccc43)CC2)cc1 ZINC001232248900 1035182402 /nfs/dbraw/zinc/18/24/02/1035182402.db2.gz DAYGGAWZXOHRMR-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO Cc1cnc(NC2CC[NH+](CC3CCOCC3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001161215317 1035182480 /nfs/dbraw/zinc/18/24/80/1035182480.db2.gz PWIJFQOUOMWLDW-UHFFFAOYSA-N 1 0 385.628 3.922 20 30 GHEDRO CC(C)(C)CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1C#N)C1CC[NH2+]CC1 ZINC001161261610 1035196238 /nfs/dbraw/zinc/19/62/38/1035196238.db2.gz HASFUIIEMZHTRL-QFIPXVFZSA-N 1 0 396.579 3.539 20 30 GHEDRO Cc1cc(F)cc(CN(C(=O)C#Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c1 ZINC001161280427 1035200117 /nfs/dbraw/zinc/20/01/17/1035200117.db2.gz SJOZXPSBIQUYCW-UHFFFAOYSA-N 1 0 386.417 3.545 20 30 GHEDRO COc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ncc1C#N ZINC001161457486 1035234962 /nfs/dbraw/zinc/23/49/62/1035234962.db2.gz OZAFYIOIUFOBDO-FCHUYYIVSA-N 1 0 399.498 3.827 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)c2)CC1 ZINC001209328311 1035243144 /nfs/dbraw/zinc/24/31/44/1035243144.db2.gz BDOFFUQMGXHGSD-KRWDZBQOSA-N 1 0 382.430 3.562 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC2 ZINC001209354241 1035250412 /nfs/dbraw/zinc/25/04/12/1035250412.db2.gz CKDYBVUGSWMYLC-UHFFFAOYSA-N 1 0 393.572 3.715 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)CC2 ZINC001209369903 1035257488 /nfs/dbraw/zinc/25/74/88/1035257488.db2.gz FZISOTIARFQWPP-QFIPXVFZSA-N 1 0 393.572 3.715 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001209439069 1035274352 /nfs/dbraw/zinc/27/43/52/1035274352.db2.gz HVZHGPKSTYVDEV-HSZRJFAPSA-N 1 0 398.551 3.835 20 30 GHEDRO C=CCCCCCCC[N@H+]1CC[C@H]2O[C@@H](C(=O)N(C)Cc3ccccn3)C[C@H]21 ZINC001209439366 1035274523 /nfs/dbraw/zinc/27/45/23/1035274523.db2.gz NJLFBZCMYZJBOO-YPAWHYETSA-N 1 0 385.552 3.798 20 30 GHEDRO C=CCCCCCCC[NH+]1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C ZINC001209441802 1035275259 /nfs/dbraw/zinc/27/52/59/1035275259.db2.gz MQFGNZRZLVQVQT-LJQANCHMSA-N 1 0 388.556 3.533 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N(CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161674897 1035283493 /nfs/dbraw/zinc/28/34/93/1035283493.db2.gz BNWFJSZASLUVQE-SHTZXODSSA-N 1 0 392.931 3.906 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161885421 1035321984 /nfs/dbraw/zinc/32/19/84/1035321984.db2.gz NXUITZQHQPYBPF-INIZCTEOSA-N 1 0 376.838 3.910 20 30 GHEDRO CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c1C ZINC001209610388 1035329877 /nfs/dbraw/zinc/32/98/77/1035329877.db2.gz HRLAWAVNOOGKEA-GOSISDBHSA-N 1 0 381.476 3.723 20 30 GHEDRO CCN(CC)c1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1 ZINC001248158635 1035585568 /nfs/dbraw/zinc/58/55/68/1035585568.db2.gz ZODSOJHWDVZZMP-LJQANCHMSA-N 1 0 375.476 3.567 20 30 GHEDRO CCCCOc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1 ZINC001248158984 1035585897 /nfs/dbraw/zinc/58/58/97/1035585897.db2.gz IYGFLIKJGIFHSU-IBGZPJMESA-N 1 0 376.460 3.900 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1F ZINC001462000720 1069937844 /nfs/dbraw/zinc/93/78/44/1069937844.db2.gz RQNLQHIBBCBECJ-QGZVFWFLSA-N 1 0 378.234 3.899 20 30 GHEDRO CC[NH+](CC)Cc1ccc(-c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)cc1 ZINC001241578207 1035628930 /nfs/dbraw/zinc/62/89/30/1035628930.db2.gz IKMMJZFJSJKQKP-SFHVURJKSA-N 1 0 380.492 3.934 20 30 GHEDRO N#Cc1cc(F)cc(-c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)c1 ZINC001241657379 1035643918 /nfs/dbraw/zinc/64/39/18/1035643918.db2.gz MCYHGCGXJDEHGL-GOSISDBHSA-N 1 0 389.434 3.874 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241757150 1035676933 /nfs/dbraw/zinc/67/69/33/1035676933.db2.gz YKICCJCWHMKOMU-UHFFFAOYSA-N 1 0 393.487 3.970 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CC#N)cc1 ZINC001241771191 1035690308 /nfs/dbraw/zinc/69/03/08/1035690308.db2.gz NXILNRQZSQHTHO-UHFFFAOYSA-N 1 0 375.394 3.730 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2nc(-c3ccccc3)ccc2C#N)cc1 ZINC001241779457 1035696045 /nfs/dbraw/zinc/69/60/45/1035696045.db2.gz SYQNVXACKPNROY-UHFFFAOYSA-N 1 0 384.483 3.969 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@H](c1ccccc1)[NH+](C)C ZINC001248532167 1035937912 /nfs/dbraw/zinc/93/79/12/1035937912.db2.gz WJTVLWNFLHIWFE-KNXBSLHKSA-N 1 0 376.504 3.926 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@H+](CC)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001248752821 1036110018 /nfs/dbraw/zinc/11/00/18/1036110018.db2.gz CRVMWMLJOAKQCU-DEOSSOPVSA-N 1 0 377.532 3.844 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc(C[C@@H]4CC[NH2+]C[C@H]4F)n3)cc2)cc1 ZINC001248908922 1036236173 /nfs/dbraw/zinc/23/61/73/1036236173.db2.gz WNIDGCHZTQYBDK-QFBILLFUSA-N 1 0 378.407 3.891 20 30 GHEDRO C=CCc1ccnc(-c2ccc(N3CC[NH+](C)CC3)cc2OC)c1C(OC)OC ZINC001244156545 1036400026 /nfs/dbraw/zinc/40/00/26/1036400026.db2.gz SYZPMWHSVRQAMN-UHFFFAOYSA-N 1 0 397.519 3.529 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001244290566 1036464915 /nfs/dbraw/zinc/46/49/15/1036464915.db2.gz MVYYANUEASODFC-WYMPLXKRSA-N 1 0 379.382 3.599 20 30 GHEDRO N#C[C@H](c1ccc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)nn1)c1ccccc1F ZINC001245418026 1036916007 /nfs/dbraw/zinc/91/60/07/1036916007.db2.gz IJBRAPSGUINYLK-MJGOQNOKSA-N 1 0 378.451 3.539 20 30 GHEDRO N#Cc1cccc(Oc2nc(C3=CC[C@@H]([NH+]4CCOCC4)CC3)ncc2F)c1 ZINC001245421518 1036916985 /nfs/dbraw/zinc/91/69/85/1036916985.db2.gz BAVDBHWACONVMH-QGZVFWFLSA-N 1 0 380.423 3.548 20 30 GHEDRO CC1CC[NH+](CCCNC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001245794096 1037002037 /nfs/dbraw/zinc/00/20/37/1037002037.db2.gz USUWZFXPQQKSIC-UHFFFAOYSA-N 1 0 384.471 3.985 20 30 GHEDRO CCc1c(C)nc2sc(C#N)c(NC[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)c2c1C ZINC001245959684 1037082326 /nfs/dbraw/zinc/08/23/26/1037082326.db2.gz MOGDMDSPWVPWAF-ZWKOTPCHSA-N 1 0 394.544 3.690 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)cc1 ZINC001245963096 1037086409 /nfs/dbraw/zinc/08/64/09/1037086409.db2.gz OMDNVYVOGBDSJZ-LEWJYISDSA-N 1 0 388.534 3.537 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC2(C1)CCC[NH2+]2 ZINC001246031373 1037146388 /nfs/dbraw/zinc/14/63/88/1037146388.db2.gz HXHHZXWJYHXTDE-QFIPXVFZSA-N 1 0 398.632 3.739 20 30 GHEDRO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246303117 1037285341 /nfs/dbraw/zinc/28/53/41/1037285341.db2.gz GZXWUTYCWVEKOA-JPYJTQIMSA-N 1 0 398.547 3.986 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])N[C@@H](C)Cc2ccccc2Br)cc1 ZINC001246306836 1037285965 /nfs/dbraw/zinc/28/59/65/1037285965.db2.gz ZGWRNHMDGOQVSG-LBPRGKRZSA-N 1 0 375.266 3.572 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246764049 1037607417 /nfs/dbraw/zinc/60/74/17/1037607417.db2.gz DEBKBJQXYUFVQV-JFJDKTSWSA-N 1 0 388.527 3.753 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)cc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001462210972 1070085052 /nfs/dbraw/zinc/08/50/52/1070085052.db2.gz QXGMFQPYWGXTJQ-UHFFFAOYSA-N 1 0 387.531 3.925 20 30 GHEDRO N#Cc1ccc(-c2noc([C@@H](c3ccco3)N3CCC[C@@H]([NH3+])C3)n2)c2ccccc12 ZINC001247328032 1038124427 /nfs/dbraw/zinc/12/44/27/1038124427.db2.gz PIMNZTNCHDOFIS-IIBYNOLFSA-N 1 0 399.454 3.867 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1F ZINC001462263133 1070129805 /nfs/dbraw/zinc/12/98/05/1070129805.db2.gz YZBKZGCZMOVYPR-MRXNPFEDSA-N 1 0 382.389 3.944 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3CC[C@@]4(C3)C[NH2+]CCO4)n2)cc1Cl ZINC001247916019 1038490913 /nfs/dbraw/zinc/49/09/13/1038490913.db2.gz HWTIXAMAAXFGMX-BMLIUANNSA-N 1 0 379.247 3.541 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@H]4CC[C@]5(C4)C[NH2+]CCO5)n3)cc2)cc1 ZINC001247916845 1038491850 /nfs/dbraw/zinc/49/18/50/1038491850.db2.gz LHOGSCBOBAJFST-OFNKIYASSA-N 1 0 386.455 3.901 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001232820098 1038574261 /nfs/dbraw/zinc/57/42/61/1038574261.db2.gz HKYXOEFCNSEDJG-QUCCMNQESA-N 1 0 375.900 3.790 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)s1 ZINC001232843168 1038593616 /nfs/dbraw/zinc/59/36/16/1038593616.db2.gz SBUJILGKBZSHIW-QGZVFWFLSA-N 1 0 383.517 3.712 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c[nH]c3ccc(O)cc13)CC2 ZINC001232864391 1038624320 /nfs/dbraw/zinc/62/43/20/1038624320.db2.gz IHYULSPDGLIYDQ-UHFFFAOYSA-N 1 0 383.492 3.874 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cc(F)ccc1C#N)CC2 ZINC001232890131 1038675151 /nfs/dbraw/zinc/67/51/51/1038675151.db2.gz XWWJEJXQLJDTCN-UHFFFAOYSA-N 1 0 382.483 3.933 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1sccc1C(=O)OCC)[C@H]2CC ZINC001233018607 1038771022 /nfs/dbraw/zinc/77/10/22/1038771022.db2.gz AVOBGUHVYDODEN-RXVVDRJESA-N 1 0 390.549 3.846 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC001251989566 1038795444 /nfs/dbraw/zinc/79/54/44/1038795444.db2.gz PHQWKLXARHQWIG-OAQYLSRUSA-N 1 0 380.536 3.986 20 30 GHEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCNc1ncccc1C#N ZINC001252062545 1038838994 /nfs/dbraw/zinc/83/89/94/1038838994.db2.gz CHANRXPEJLIZOV-UHFFFAOYSA-N 1 0 394.910 3.670 20 30 GHEDRO Cc1cc(C#N)ccc1CN1Cc2ncn(C)c2[C@@H](COCC2CCCC2)C1 ZINC001233079483 1038844259 /nfs/dbraw/zinc/84/42/59/1038844259.db2.gz FDNGTTRVNSWZQP-OAQYLSRUSA-N 1 0 378.520 3.906 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N(C)C)c(C#N)c1F)[C@H]2CC ZINC001233099159 1038876567 /nfs/dbraw/zinc/87/65/67/1038876567.db2.gz PXDKCAQFVXJXGD-REWPJTCUSA-N 1 0 398.526 3.685 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC001252129021 1038881365 /nfs/dbraw/zinc/88/13/65/1038881365.db2.gz UUJYHQGJSCIBJZ-UHOSZYNNSA-N 1 0 379.570 3.543 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC(Oc2ccc(C(N)=O)cc2)CC1 ZINC001252129776 1038883465 /nfs/dbraw/zinc/88/34/65/1038883465.db2.gz DMTNXPMEYDKUJX-LJQANCHMSA-N 1 0 376.541 3.740 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001252139194 1038889832 /nfs/dbraw/zinc/88/98/32/1038889832.db2.gz KRNZKEBXUUTCOG-HXUWFJFHSA-N 1 0 399.620 3.677 20 30 GHEDRO CC(C)C[NH+](CC(C)C)C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252312167 1038939502 /nfs/dbraw/zinc/93/95/02/1038939502.db2.gz CWMZQCNWQRYWFL-IBGZPJMESA-N 1 0 399.457 3.881 20 30 GHEDRO C[C@@H]1CCC[N@H+](C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC001252316054 1038940811 /nfs/dbraw/zinc/94/08/11/1038940811.db2.gz DLLPDKWKGRFKER-LPMFXHHGSA-N 1 0 397.441 3.635 20 30 GHEDRO CC(C)(C[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CC1CC1 ZINC001252339239 1038946669 /nfs/dbraw/zinc/94/66/69/1038946669.db2.gz YLXULKUCPZMLDX-LJQANCHMSA-N 1 0 397.441 3.682 20 30 GHEDRO C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H]([NH2+]CC(C)(C)O)c1ccnc2ccc(OC)cc21 ZINC001252365986 1038958472 /nfs/dbraw/zinc/95/84/72/1038958472.db2.gz SQUKZQWRCFTMOV-RZRCNZQPSA-N 1 0 395.547 3.541 20 30 GHEDRO C=CCOC[C@H](O)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252470998 1038999537 /nfs/dbraw/zinc/99/95/37/1038999537.db2.gz AQDVDNGANFAYLJ-GUDVDZBRSA-N 1 0 398.588 3.734 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2cc3c(ncn3C(C)C)c(N3CCCC3)n2)CC1 ZINC001252549574 1039030070 /nfs/dbraw/zinc/03/00/70/1039030070.db2.gz JCWYYXHTMTWNJA-HSZRJFAPSA-N 1 0 397.567 3.729 20 30 GHEDRO C=C[C@@](C)(O)C[N@@H+](Cc1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001252556023 1039031555 /nfs/dbraw/zinc/03/15/55/1039031555.db2.gz CZVYONLYFJYNNA-JOCHJYFZSA-N 1 0 392.515 3.964 20 30 GHEDRO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001252595568 1039041195 /nfs/dbraw/zinc/04/11/95/1039041195.db2.gz ITTNZYRMXRYBHJ-HXUWFJFHSA-N 1 0 394.515 3.596 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001233385150 1039210689 /nfs/dbraw/zinc/21/06/89/1039210689.db2.gz WCTVVAJINNLAPC-UHFFFAOYSA-N 1 0 376.504 3.535 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C[C@@](C)(O)c3ccccc3)cc(C#N)c21 ZINC001253118805 1039434844 /nfs/dbraw/zinc/43/48/44/1039434844.db2.gz REXJGPFLZIDEHQ-QMHKHESXSA-N 1 0 375.472 3.601 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001253234423 1039488386 /nfs/dbraw/zinc/48/83/86/1039488386.db2.gz AYSRFIIDGLOJSR-UNMCSNQZSA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1csc(C)n1 ZINC001253240084 1039498417 /nfs/dbraw/zinc/49/84/17/1039498417.db2.gz YQGJKEAQONDTCX-SLFFLAALSA-N 1 0 391.581 3.514 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001253253330 1039504400 /nfs/dbraw/zinc/50/44/00/1039504400.db2.gz FLJZKFQALCTOKM-YRPNKDGESA-N 1 0 396.572 3.630 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2OC)CC1 ZINC001253256428 1039505928 /nfs/dbraw/zinc/50/59/28/1039505928.db2.gz XRJVDWWQZXRTOA-FQEVSTJZSA-N 1 0 388.552 3.777 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cc1F ZINC001233741532 1039582748 /nfs/dbraw/zinc/58/27/48/1039582748.db2.gz QEIGGOFSRHBUJO-NQERJWCQSA-N 1 0 399.897 3.973 20 30 GHEDRO C[C@@H](CS)Oc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001233830943 1039653038 /nfs/dbraw/zinc/65/30/38/1039653038.db2.gz NMXRXASPLBXBPD-HNNXBMFYSA-N 1 0 380.554 3.873 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001253565404 1039705507 /nfs/dbraw/zinc/70/55/07/1039705507.db2.gz MTIGNKVUZCZOEE-HXUWFJFHSA-N 1 0 382.589 3.639 20 30 GHEDRO C=C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587432 1039710571 /nfs/dbraw/zinc/71/05/71/1039710571.db2.gz LMFXNRBDHMMYPO-HXUWFJFHSA-N 1 0 392.515 3.883 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@H](c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608619 1039720726 /nfs/dbraw/zinc/72/07/26/1039720726.db2.gz DFAUFXPJWYAZDR-LPHOPBHVSA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC1(C)COC1 ZINC001253614245 1039723488 /nfs/dbraw/zinc/72/34/88/1039723488.db2.gz KYWWKBVPULAXGH-OAQYLSRUSA-N 1 0 387.605 3.928 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C(C)(C)CO ZINC001253616251 1039726387 /nfs/dbraw/zinc/72/63/87/1039726387.db2.gz QXWDKGDZTFJUEB-HXUWFJFHSA-N 1 0 375.594 3.662 20 30 GHEDRO CCO[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C[NH+](C)C ZINC001233981087 1039741431 /nfs/dbraw/zinc/74/14/31/1039741431.db2.gz CAWPOYFEWVBIHG-HTAPYJJXSA-N 1 0 394.519 3.552 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2ccccc2OCC[N@H+]2CC[C@@H](OC)C2)cc1 ZINC001234078717 1039818489 /nfs/dbraw/zinc/81/84/89/1039818489.db2.gz CCKWMTKNIJLYQZ-RGFVMQALSA-N 1 0 381.472 3.691 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)ccc1-n1ccnc1 ZINC001234085363 1039825968 /nfs/dbraw/zinc/82/59/68/1039825968.db2.gz RKGHWDOIBNOXDD-NRFANRHFSA-N 1 0 388.471 3.796 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(OCC#N)cc1 ZINC001253891711 1039882765 /nfs/dbraw/zinc/88/27/65/1039882765.db2.gz LTXLDMLYHXAJRF-QZTJIDSGSA-N 1 0 378.476 3.716 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)C1 ZINC001462414233 1070237210 /nfs/dbraw/zinc/23/72/10/1070237210.db2.gz OTDIEXGBAFJWDM-MOPGFXCFSA-N 1 0 390.572 3.700 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(-c2ccccc2O)oc2ccccc2c1=O ZINC001234379223 1039991761 /nfs/dbraw/zinc/99/17/61/1039991761.db2.gz FTBCWGREJIHYBW-OAHLLOKOSA-O 1 0 379.436 3.533 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1=O ZINC001254253451 1040100019 /nfs/dbraw/zinc/10/00/19/1040100019.db2.gz MUQCNFGAAJVSRX-FQEVSTJZSA-N 1 0 397.519 3.739 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001254282106 1040129835 /nfs/dbraw/zinc/12/98/35/1040129835.db2.gz QVMLBRAHWLGUMR-AABGKKOBSA-N 1 0 392.337 3.742 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001254282108 1040130060 /nfs/dbraw/zinc/13/00/60/1040130060.db2.gz QVMLBRAHWLGUMR-SLFFLAALSA-N 1 0 392.337 3.742 20 30 GHEDRO CS(=O)(=O)c1cccc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)c1 ZINC001254345485 1040178861 /nfs/dbraw/zinc/17/88/61/1040178861.db2.gz DFBDMTILPHATKV-UHFFFAOYSA-N 1 0 386.492 3.723 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254346629 1040180104 /nfs/dbraw/zinc/18/01/04/1040180104.db2.gz SQQODQIABGACHX-MHIUNMELSA-N 1 0 391.490 3.920 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CCOc2ccc3c(c2)OCO3)CC1 ZINC001254348106 1040181537 /nfs/dbraw/zinc/18/15/37/1040181537.db2.gz BPKSQBQDZKABHT-UHFFFAOYSA-N 1 0 382.435 3.927 20 30 GHEDRO CCN1CC[C@@]2(C[N@@H+](C3CCC(C#N)(c4ccc(F)cc4)CC3)C[C@@H]2C)C1=O ZINC001254354341 1040186185 /nfs/dbraw/zinc/18/61/85/1040186185.db2.gz HIUBDXQKNZOOKK-SAOICFMMSA-N 1 0 383.511 3.720 20 30 GHEDRO CCc1ncnc2c1CC[N@@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)CC2 ZINC001254355863 1040188489 /nfs/dbraw/zinc/18/84/89/1040188489.db2.gz XQGQWDPFMXQGLA-UHFFFAOYSA-N 1 0 378.495 3.983 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC001254357470 1040189684 /nfs/dbraw/zinc/18/96/84/1040189684.db2.gz GHEPQLIMLLKOKU-FBHNJWQJSA-N 1 0 383.511 3.864 20 30 GHEDRO Cc1nccnc1O[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254358882 1040191178 /nfs/dbraw/zinc/19/11/78/1040191178.db2.gz BMCBLTXLDRHUBJ-SNCIUUNGSA-N 1 0 380.467 3.781 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@H](Oc3ncccn3)C2)CC1 ZINC001254360337 1040192799 /nfs/dbraw/zinc/19/27/99/1040192799.db2.gz ZRCAVKDRZRUEAY-FUHYEJFZSA-N 1 0 380.467 3.863 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc4sccc4nc3Cl)C2)C1=O ZINC001277874487 1040199214 /nfs/dbraw/zinc/19/92/14/1040199214.db2.gz MULITDLIWDEUJO-IBGZPJMESA-N 1 0 375.925 3.950 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](C4CCc5ccccc5CC4)C3)CC2=O)c1 ZINC001254460617 1040248056 /nfs/dbraw/zinc/24/80/56/1040248056.db2.gz MULVAVGHOGNVCV-RUZDIDTESA-N 1 0 385.511 3.935 20 30 GHEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001254545081 1040313110 /nfs/dbraw/zinc/31/31/10/1040313110.db2.gz AFQGYSMNCSIQSU-QGZVFWFLSA-N 1 0 378.476 3.652 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(c2ncccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254638175 1040412384 /nfs/dbraw/zinc/41/23/84/1040412384.db2.gz XKMAYYFYINIWQB-APWZRJJASA-N 1 0 384.524 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC001254650950 1040417930 /nfs/dbraw/zinc/41/79/30/1040417930.db2.gz ZKINPAUDUVFCQX-HKUYNNGSSA-N 1 0 384.524 3.526 20 30 GHEDRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254666684 1040427046 /nfs/dbraw/zinc/42/70/46/1040427046.db2.gz XLKAJMOQDCVOPI-FPOVZHCZSA-N 1 0 389.547 3.787 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)CC(=O)c2cc(Br)ccc2O3)C1 ZINC001254669150 1040428970 /nfs/dbraw/zinc/42/89/70/1040428970.db2.gz PPRCPBGBTMOHEK-UKRRQHHQSA-N 1 0 389.293 3.941 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C1(c3ccc(C#N)cc3)CC1)CS2 ZINC001254687421 1040444116 /nfs/dbraw/zinc/44/41/16/1040444116.db2.gz JPUAYTOQQPWYAV-KRWDZBQOSA-N 1 0 385.533 3.632 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](n3cc(CC[NH3+])c4cc(C#N)ccc43)C[C@@H]2C1 ZINC001254895788 1040651866 /nfs/dbraw/zinc/65/18/66/1040651866.db2.gz ZYBSTRTUZYGTKD-REPLKXPHSA-N 1 0 394.519 3.832 20 30 GHEDRO N#Cc1cc(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)ccc1Cl ZINC001255000010 1040721050 /nfs/dbraw/zinc/72/10/50/1040721050.db2.gz QQLHKVDGUUCVOE-SEJPIABJSA-N 1 0 381.907 3.733 20 30 GHEDRO N#Cc1cccc(N2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001255151046 1040870327 /nfs/dbraw/zinc/87/03/27/1040870327.db2.gz RIAOKJITLJCKJM-LNWKWYTESA-N 1 0 386.543 3.876 20 30 GHEDRO CC[C@H](CC#N)[NH+]1CCC2(CC[C@H](OCC(=O)N(C)C)c3ccccc32)CC1 ZINC001255167082 1040883066 /nfs/dbraw/zinc/88/30/66/1040883066.db2.gz VAUGUEZGDUJQQR-NQIIRXRSSA-N 1 0 383.536 3.652 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccccc3C#N)CC1)C2 ZINC001255234680 1040920548 /nfs/dbraw/zinc/92/05/48/1040920548.db2.gz IRZJCJCVTLFOQS-ACDBMABISA-N 1 0 396.535 3.611 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(C#N)c3)CC1)C2 ZINC001255246385 1040924391 /nfs/dbraw/zinc/92/43/91/1040924391.db2.gz NWTHBKMBERMDJP-AERCQKQUSA-N 1 0 396.535 3.611 20 30 GHEDRO C=CC[NH2+]CCN1CCC(c2cc3c(ncn3C(C)C)c(N3CCCC3)n2)CC1 ZINC001235455991 1040946288 /nfs/dbraw/zinc/94/62/88/1040946288.db2.gz ZLNGURPZVMEYOR-UHFFFAOYSA-N 1 0 396.583 3.567 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3ccccc3CC#N)C2)C1 ZINC001235514313 1040970230 /nfs/dbraw/zinc/97/02/30/1040970230.db2.gz LEQWBECPLLCBJU-SIKLNZKXSA-N 1 0 387.499 3.924 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3ccccc3CC#N)C[C@H]2CF)CC1 ZINC001235517486 1040972590 /nfs/dbraw/zinc/97/25/90/1040972590.db2.gz YNGYLJZVJBNPJI-MOPGFXCFSA-N 1 0 387.499 3.827 20 30 GHEDRO CSC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCCCC1 ZINC001255482715 1041079054 /nfs/dbraw/zinc/07/90/54/1041079054.db2.gz GDEUZQCZOGPLLY-UHFFFAOYSA-N 1 0 388.581 3.697 20 30 GHEDRO CC1(C)C[C@@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)CCO1 ZINC001255533114 1041114464 /nfs/dbraw/zinc/11/44/64/1041114464.db2.gz UUCOAROREBBQOG-QFIPXVFZSA-N 1 0 388.511 3.870 20 30 GHEDRO C[C@H](CC(F)(F)F)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255652098 1041193200 /nfs/dbraw/zinc/19/32/00/1041193200.db2.gz FKHNZHRVIISYOD-VQIMIIECSA-N 1 0 381.442 3.818 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@@H](C)CSc1ccc(F)cc1)CC2 ZINC001255741926 1041262233 /nfs/dbraw/zinc/26/22/33/1041262233.db2.gz GUOQXJFFVUPPKX-HNNXBMFYSA-N 1 0 375.513 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001255900020 1041383644 /nfs/dbraw/zinc/38/36/44/1041383644.db2.gz VIHVWIVEYDYDAM-FQEVSTJZSA-N 1 0 398.551 3.534 20 30 GHEDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(Br)c(C#N)c3)C2)C1=O ZINC001277974939 1041401114 /nfs/dbraw/zinc/40/11/14/1041401114.db2.gz QDYXINMTTJIXDY-AUUYWEPGSA-N 1 0 390.325 3.544 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC001256377159 1041713614 /nfs/dbraw/zinc/71/36/14/1041713614.db2.gz WTOLTDLWMZLOQE-UHFFFAOYSA-N 1 0 399.214 3.936 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1cc3cc(OC)ccc3s1)CC2 ZINC001236656500 1041806952 /nfs/dbraw/zinc/80/69/52/1041806952.db2.gz CREVDUWXPCIKKR-UHFFFAOYSA-N 1 0 383.517 3.904 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccc(F)c(O)c4)C3)C2)c1 ZINC001236706768 1041844942 /nfs/dbraw/zinc/84/49/42/1041844942.db2.gz YQNCHLDQBODANP-QHCPKHFHSA-N 1 0 395.478 3.522 20 30 GHEDRO COc1cc(C#N)ccc1CN1CC[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236816461 1041914419 /nfs/dbraw/zinc/91/44/19/1041914419.db2.gz YIAWKXVOMDCDLI-GOSISDBHSA-N 1 0 375.394 3.732 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccnc4c(Cl)cccc34)CC2)nc1 ZINC001237142523 1042061669 /nfs/dbraw/zinc/06/16/69/1042061669.db2.gz AULXGFXJQQLPBX-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)c2cc(C#N)ccc21 ZINC001237467408 1042220515 /nfs/dbraw/zinc/22/05/15/1042220515.db2.gz QTVIEKCDHKTESL-QFIPXVFZSA-N 1 0 398.510 3.688 20 30 GHEDRO COc1ccc([C@@H](C[N@H+](C)Cc2ccnc(C#N)c2)C2(O)CCCCC2)cc1 ZINC001237468047 1042220615 /nfs/dbraw/zinc/22/06/15/1042220615.db2.gz CTACFWSFNRKVIC-JOCHJYFZSA-N 1 0 379.504 3.873 20 30 GHEDRO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)CC2 ZINC001237469879 1042221845 /nfs/dbraw/zinc/22/18/45/1042221845.db2.gz ZLHXGSKGOYPQDI-UHFFFAOYSA-N 1 0 387.483 3.714 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c(F)cc1F ZINC001237525309 1042250398 /nfs/dbraw/zinc/25/03/98/1042250398.db2.gz CWVRKCBNJSFPRS-HSZRJFAPSA-N 1 0 393.437 3.737 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(F)c(OC)ccc1OC)[C@@H]2CC ZINC001237575997 1042268371 /nfs/dbraw/zinc/26/83/71/1042268371.db2.gz RUZXLBTYQGDCAM-KNQAVFIVSA-N 1 0 390.499 3.765 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]2C1 ZINC001237751709 1042353901 /nfs/dbraw/zinc/35/39/01/1042353901.db2.gz PCWXJDXUZQEMLY-IAGOWNOFSA-N 1 0 375.900 3.900 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cc(Cl)cc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001237758140 1042356275 /nfs/dbraw/zinc/35/62/75/1042356275.db2.gz ZWXYTLROKVVESZ-IRLDBZIGSA-N 1 0 381.907 3.858 20 30 GHEDRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)cc2)cc1 ZINC001237821685 1042385673 /nfs/dbraw/zinc/38/56/73/1042385673.db2.gz UNBBPRWYWSYBMW-FQEVSTJZSA-N 1 0 379.481 3.914 20 30 GHEDRO CCc1ncc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)s1 ZINC001237826874 1042388889 /nfs/dbraw/zinc/38/88/89/1042388889.db2.gz VPEHGOFCKIBASE-JOCHJYFZSA-N 1 0 396.560 3.696 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3C(=O)OCC)C2)C1=O ZINC001238040602 1042469926 /nfs/dbraw/zinc/46/99/26/1042469926.db2.gz NJKDUTHKVLIAPE-OAQYLSRUSA-N 1 0 390.911 3.517 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)ccc1Cl ZINC001238190200 1042514341 /nfs/dbraw/zinc/51/43/41/1042514341.db2.gz APBBEUIDTDVJHH-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001462629118 1070426523 /nfs/dbraw/zinc/42/65/23/1070426523.db2.gz OGUZXILEEXEZGM-UHFFFAOYSA-N 1 0 394.519 3.703 20 30 GHEDRO COc1cc(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ccc1C#N ZINC001238412287 1042587778 /nfs/dbraw/zinc/58/77/78/1042587778.db2.gz DKQBKJXADMJXCY-JVNMPXIPSA-N 1 0 377.532 3.962 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(-c4ccncc4)c3)C2)C1=O ZINC001238559702 1042638181 /nfs/dbraw/zinc/63/81/81/1042638181.db2.gz GZZYPJKEHDPKQB-HSZRJFAPSA-N 1 0 379.479 3.888 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnc(F)c(OC(C)C)c1)CC2 ZINC001238591090 1042650167 /nfs/dbraw/zinc/65/01/67/1042650167.db2.gz HXWFEAMTZNNGQL-OAQYLSRUSA-N 1 0 375.488 3.541 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(-c4ccccc4)cnc3F)C2)C1=O ZINC001238662719 1042676101 /nfs/dbraw/zinc/67/61/01/1042676101.db2.gz UTJNADKLXJAHNT-QHCPKHFHSA-N 1 0 379.479 3.888 20 30 GHEDRO CCCCCCCCS(=O)(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001238681819 1042682270 /nfs/dbraw/zinc/68/22/70/1042682270.db2.gz QQYWTGHALWPWKZ-INIZCTEOSA-N 1 0 391.375 3.729 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)ccc1C#N ZINC001238762485 1042718923 /nfs/dbraw/zinc/71/89/23/1042718923.db2.gz LAGLTAIZUOZXON-BJKOFHAPSA-N 1 0 391.515 3.856 20 30 GHEDRO CCc1cc(C[NH+]2CCC(NC(=O)c3cccc(OC)c3)CC2)ccc1C#N ZINC001238773419 1042722198 /nfs/dbraw/zinc/72/21/98/1042722198.db2.gz YMHKZRAKZMUMGF-UHFFFAOYSA-N 1 0 377.488 3.524 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)ccc1C#N ZINC001238774756 1042722766 /nfs/dbraw/zinc/72/27/66/1042722766.db2.gz LZPJASANHLFEPJ-HSZRJFAPSA-N 1 0 377.463 3.889 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)ccc1C#N ZINC001238774757 1042723062 /nfs/dbraw/zinc/72/30/62/1042723062.db2.gz LZPJASANHLFEPJ-QHCPKHFHSA-N 1 0 377.463 3.889 20 30 GHEDRO CCCCCCCCCCCCNC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001239219673 1042788801 /nfs/dbraw/zinc/78/88/01/1042788801.db2.gz IXYMVNUECNVPMT-IFMALSPDSA-N 1 0 397.604 3.602 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])NC(=O)Nc1ccccc1-c1ccccc1 ZINC001239234662 1042792255 /nfs/dbraw/zinc/79/22/55/1042792255.db2.gz MXZSETHOXHJNBU-FQEVSTJZSA-N 1 0 381.476 3.702 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001239234993 1042792811 /nfs/dbraw/zinc/79/28/11/1042792811.db2.gz SWDBAZPIOKTOOC-UHFFFAOYSA-N 1 0 392.547 3.864 20 30 GHEDRO Cc1ccc2c(c1)C1(C[C@@H]2NC(=S)Nc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC001239362448 1042813375 /nfs/dbraw/zinc/81/33/75/1042813375.db2.gz HIBUSCRFDLDYCD-FQEVSTJZSA-N 1 0 376.529 3.919 20 30 GHEDRO CCCCCCCCCCNC(=S)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001239364664 1042813854 /nfs/dbraw/zinc/81/38/54/1042813854.db2.gz BKFJIQMHXKNFAN-UHFFFAOYSA-N 1 0 382.662 3.808 20 30 GHEDRO Cc1cccc2c1C1(C[C@@H]2NC(=S)Nc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001239375086 1042816097 /nfs/dbraw/zinc/81/60/97/1042816097.db2.gz YPXKWUUNCLYODE-IBGZPJMESA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1ccccc1NC(=S)NC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001239385793 1042818831 /nfs/dbraw/zinc/81/88/31/1042818831.db2.gz IMGSTVSEENAKTI-UHFFFAOYSA-N 1 0 384.936 3.863 20 30 GHEDRO N#Cc1cccc(NC(=S)NC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)c1 ZINC001239391651 1042820886 /nfs/dbraw/zinc/82/08/86/1042820886.db2.gz HWPKSONFSDSLTH-UHFFFAOYSA-N 1 0 384.936 3.863 20 30 GHEDRO N#Cc1cc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240356005 1042923135 /nfs/dbraw/zinc/92/31/35/1042923135.db2.gz MREFIEXRFPNHJF-UHFFFAOYSA-N 1 0 392.455 3.884 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)cn1 ZINC001240815808 1042956149 /nfs/dbraw/zinc/95/61/49/1042956149.db2.gz HANFLOJJXMDMKZ-UHFFFAOYSA-N 1 0 375.548 3.551 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC1)[NH+]1CCC(C)CC1 ZINC001291142946 1043106393 /nfs/dbraw/zinc/10/63/93/1043106393.db2.gz OKQMEJMRVUWRLY-GOSISDBHSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCC(C#N)CC1 ZINC001291766195 1043450940 /nfs/dbraw/zinc/45/09/40/1043450940.db2.gz BDMPIHPUIYLRHZ-GOSISDBHSA-N 1 0 380.540 3.724 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N1CCC[C@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001256584289 1043553273 /nfs/dbraw/zinc/55/32/73/1043553273.db2.gz AJCXJNNRVZIBCS-NRFANRHFSA-N 1 0 391.515 3.760 20 30 GHEDRO C=CC[C@@]1(C(=O)NCC[N@@H+](C)C2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001292151785 1043605445 /nfs/dbraw/zinc/60/54/45/1043605445.db2.gz VFAABKWKNYTDHP-QFIPXVFZSA-N 1 0 393.572 3.713 20 30 GHEDRO C=CCOCc1nn(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)c2c1C[NH2+]C2 ZINC001256671383 1043610912 /nfs/dbraw/zinc/61/09/12/1043610912.db2.gz USOXCSORPGYOOQ-UHFFFAOYSA-N 1 0 390.528 3.540 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@H](C)Cc3ccncc3)c3ccccc32)cc1 ZINC001256734023 1043641289 /nfs/dbraw/zinc/64/12/89/1043641289.db2.gz VMOXXGHILKMDGL-QGZVFWFLSA-N 1 0 399.498 3.825 20 30 GHEDRO C[C@@H](Cc1ccncc1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001256742241 1043644970 /nfs/dbraw/zinc/64/49/70/1043644970.db2.gz MDSPFMJBMAWWOC-RDPSFJRHSA-N 1 0 390.531 3.503 20 30 GHEDRO CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001292322701 1043683014 /nfs/dbraw/zinc/68/30/14/1043683014.db2.gz KBMXMRUCKLZNQK-FDDCHVKYSA-N 1 0 392.551 3.927 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)cc1F ZINC001256883081 1043719156 /nfs/dbraw/zinc/71/91/56/1043719156.db2.gz DUALEBDZOSOSIS-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO CCc1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292464005 1043747384 /nfs/dbraw/zinc/74/73/84/1043747384.db2.gz ZLRPWVHSJAGRJR-OAQYLSRUSA-N 1 0 394.567 3.836 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](C[NH2+]C2CCC(C#N)CC2)(C(F)(F)F)C1 ZINC001256950902 1043769887 /nfs/dbraw/zinc/76/98/87/1043769887.db2.gz QAQAODUAFWYGDZ-KVULBXGLSA-N 1 0 375.435 3.848 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCCC[C@@H]2[NH2+]C2CCC(C#N)CC2)C1 ZINC001256950775 1043769976 /nfs/dbraw/zinc/76/99/76/1043769976.db2.gz MCCCAMWEHWRAGE-JWYNLTDQSA-N 1 0 377.529 3.607 20 30 GHEDRO N#CC1CCC([NH2+]C2CCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC001256960011 1043774219 /nfs/dbraw/zinc/77/42/19/1043774219.db2.gz DNIJJRSXWZNLIW-UHFFFAOYSA-N 1 0 390.325 3.726 20 30 GHEDRO N#CC1CCC([NH2+]C2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC001256960234 1043774253 /nfs/dbraw/zinc/77/42/53/1043774253.db2.gz NNTOFEFZMKXZTL-UHFFFAOYSA-N 1 0 390.325 3.726 20 30 GHEDRO COc1ccc(N2CCOC[C@]3(CCC[N@@H+](C4CCC(C#N)CC4)C3)C2)cc1 ZINC001256967006 1043775654 /nfs/dbraw/zinc/77/56/54/1043775654.db2.gz SCLQWRDHPPMFIV-XPJNUEMQSA-N 1 0 383.536 3.696 20 30 GHEDRO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011023 1043798654 /nfs/dbraw/zinc/79/86/54/1043798654.db2.gz PZYFYJFSHGRJIJ-JSRAGOMMSA-N 1 0 399.535 3.808 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]Cc3ccnc(N4CCCNC4=O)c3)CC2)cc1 ZINC001257014585 1043799759 /nfs/dbraw/zinc/79/97/59/1043799759.db2.gz SRCLAMMEHLKXBC-UHFFFAOYSA-N 1 0 389.503 3.689 20 30 GHEDRO COc1ccnc(O[C@H]2CCC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)n1 ZINC001257021813 1043804788 /nfs/dbraw/zinc/80/47/88/1043804788.db2.gz CGCVHRWKPCSIQJ-CBNMVNINSA-N 1 0 392.503 3.926 20 30 GHEDRO Cc1cc(N2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)nc(C)n1 ZINC001257021048 1043805223 /nfs/dbraw/zinc/80/52/23/1043805223.db2.gz MUGFPCINKCCHKF-UHFFFAOYSA-N 1 0 375.520 3.814 20 30 GHEDRO CCc1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001292884596 1043929787 /nfs/dbraw/zinc/92/97/87/1043929787.db2.gz SFNLBXSEXHAHNG-NRFANRHFSA-N 1 0 392.551 3.635 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(CC[NH+](C)C)CC(C)C)s1 ZINC001293108018 1044023573 /nfs/dbraw/zinc/02/35/73/1044023573.db2.gz VGKYUHWNYNAUEQ-UHFFFAOYSA-N 1 0 390.018 3.885 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001293125778 1044029872 /nfs/dbraw/zinc/02/98/72/1044029872.db2.gz XKMVXQSXPDTPIH-FQEVSTJZSA-N 1 0 383.442 3.973 20 30 GHEDRO CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001293387535 1044146778 /nfs/dbraw/zinc/14/67/78/1044146778.db2.gz SIMUYDCANFNVNE-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)C[C@H](C1)C2 ZINC001257886823 1044244857 /nfs/dbraw/zinc/24/48/57/1044244857.db2.gz MQMHCJZANVXBNM-JDQJLFFMSA-N 1 0 376.541 3.593 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@@H](CO)[C@@H](O)c3ccc(Br)cc3)C[C@H](C1)C2 ZINC001257887363 1044244897 /nfs/dbraw/zinc/24/48/97/1044244897.db2.gz SEPCOWKTSDYOGV-SNFKNWRGSA-N 1 0 380.326 3.568 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C(=O)NCc4ccco4)C[C@H]4OCC[C@H]43)C[C@H](C1)C2 ZINC001257891155 1044246942 /nfs/dbraw/zinc/24/69/42/1044246942.db2.gz GDTBKESLJLWSGE-AZDNJXHOSA-N 1 0 384.520 3.510 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001257894539 1044249541 /nfs/dbraw/zinc/24/95/41/1044249541.db2.gz YWYRJFBNNVAZCA-VUXNLXKLSA-N 1 0 392.540 3.510 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001258045099 1044367841 /nfs/dbraw/zinc/36/78/41/1044367841.db2.gz WKCVYXUELIHQQT-UKAVVXHISA-N 1 0 382.564 3.890 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001258046750 1044369604 /nfs/dbraw/zinc/36/96/04/1044369604.db2.gz DHADALGDDANFKV-SIKLNZKXSA-N 1 0 379.589 3.575 20 30 GHEDRO CCCCCCCCC[C@H](C)[NH2+]C[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001258224124 1044477783 /nfs/dbraw/zinc/47/77/83/1044477783.db2.gz AMDQNJPSDRFDLL-AZUAARDMSA-N 1 0 392.588 3.704 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CCN(c4ccccc4)CC3)C2)C1 ZINC001258509862 1044587799 /nfs/dbraw/zinc/58/77/99/1044587799.db2.gz JJBXYYDWVJIBQW-HSZRJFAPSA-N 1 0 383.536 3.766 20 30 GHEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 ZINC001258728914 1044735707 /nfs/dbraw/zinc/73/57/07/1044735707.db2.gz RKMZMELZDOSKCE-YVWKXTFCSA-N 1 0 396.984 3.921 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CC)C(C)C)C1 ZINC001294647231 1044744048 /nfs/dbraw/zinc/74/40/48/1044744048.db2.gz DSHCAPAUYCZBQX-LJQANCHMSA-N 1 0 380.540 3.783 20 30 GHEDRO COc1ccccc1C[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001258896291 1044853526 /nfs/dbraw/zinc/85/35/26/1044853526.db2.gz KJTKGAFEVVJAHU-QGZVFWFLSA-N 1 0 392.503 3.784 20 30 GHEDRO C=CCOc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC001295076915 1044906671 /nfs/dbraw/zinc/90/66/71/1044906671.db2.gz FMWALHPJUBWZEC-RTBURBONSA-N 1 0 394.515 3.995 20 30 GHEDRO CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001295434546 1045009391 /nfs/dbraw/zinc/00/93/91/1045009391.db2.gz GJNBPQCBVCURNV-SFHVURJKSA-N 1 0 380.540 3.927 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001295830277 1045157995 /nfs/dbraw/zinc/15/79/95/1045157995.db2.gz QZASWDBODWLPAI-UHFFFAOYSA-N 1 0 384.528 3.707 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC=C(C)C)C[C@@H]1C ZINC001296147005 1045263908 /nfs/dbraw/zinc/26/39/08/1045263908.db2.gz LZSRURIVGJCEMJ-SFHVURJKSA-N 1 0 378.524 3.703 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1 ZINC001298071758 1045694107 /nfs/dbraw/zinc/69/41/07/1045694107.db2.gz YIGYORITOLLWSS-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001261965341 1046142576 /nfs/dbraw/zinc/14/25/76/1046142576.db2.gz KMAKJGUFRPTBSR-CTNGQTDRSA-N 1 0 396.560 3.887 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300801579 1046170731 /nfs/dbraw/zinc/17/07/31/1046170731.db2.gz SKPUJEDMYWCQPV-LAUBAEHRSA-N 1 0 383.565 3.902 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C(C)(C)C)n1CC1(SC)CC[NH+](C)CC1 ZINC001300899377 1046231656 /nfs/dbraw/zinc/23/16/56/1046231656.db2.gz DQVKBLWXGIQGIL-UHFFFAOYSA-N 1 0 379.618 3.805 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC001301038022 1046301761 /nfs/dbraw/zinc/30/17/61/1046301761.db2.gz HJGQGADXDUBBPO-FMAYLGMYSA-N 1 0 384.520 3.796 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001301077904 1046323036 /nfs/dbraw/zinc/32/30/36/1046323036.db2.gz HUBFPAYHVHMSNE-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001301126305 1046360033 /nfs/dbraw/zinc/36/00/33/1046360033.db2.gz SLZBFVHGKUVXFI-FQEVSTJZSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CC1CCN(c2nnc(CC)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001301126929 1046360664 /nfs/dbraw/zinc/36/06/64/1046360664.db2.gz FMQPOLVPSFWKCA-SFHVURJKSA-N 1 0 379.552 3.690 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001301129553 1046362838 /nfs/dbraw/zinc/36/28/38/1046362838.db2.gz WNWXIKWPLMHNFT-UHFFFAOYSA-N 1 0 394.567 3.542 20 30 GHEDRO C=CCCCn1c(-c2cccnc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301214824 1046408151 /nfs/dbraw/zinc/40/81/51/1046408151.db2.gz ILVJCQGJVZWPEF-UHFFFAOYSA-N 1 0 380.540 3.761 20 30 GHEDRO C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301226307 1046415816 /nfs/dbraw/zinc/41/58/16/1046415816.db2.gz TUWSKXXUBZWDHG-UHFFFAOYSA-N 1 0 397.567 3.811 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@H]1CCC(F)(F)C1 ZINC001262939997 1046437094 /nfs/dbraw/zinc/43/70/94/1046437094.db2.gz TUWSZYCMROSNOG-AWEZNQCLSA-N 1 0 391.470 3.574 20 30 GHEDRO C=CCN(C)c1nnc(CC2CC2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001301305668 1046467964 /nfs/dbraw/zinc/46/79/64/1046467964.db2.gz KMJPLTGCQYWFPC-YLJYHZDGSA-N 1 0 385.581 3.997 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC(C)C)[NH+](C)C)C1CC1 ZINC001301317143 1046479915 /nfs/dbraw/zinc/47/99/15/1046479915.db2.gz PBFVFGUVJLUHLR-OAQYLSRUSA-N 1 0 392.551 3.948 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC001301329847 1046493118 /nfs/dbraw/zinc/49/31/18/1046493118.db2.gz OYZZQJZTOKGQNE-OALUTQOASA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC001301333919 1046497335 /nfs/dbraw/zinc/49/73/35/1046497335.db2.gz DAXWFSOGWSJJJP-WIYYLYMNSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1CC[NH+]1CCCCC1 ZINC001301399365 1046526393 /nfs/dbraw/zinc/52/63/93/1046526393.db2.gz KDCBMEFMTDYMFU-UHFFFAOYSA-N 1 0 379.552 3.877 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCCCCC1 ZINC001263278502 1046671915 /nfs/dbraw/zinc/67/19/15/1046671915.db2.gz LBCOEAXFYXNWEF-FQEVSTJZSA-N 1 0 387.572 3.941 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001263283098 1046677204 /nfs/dbraw/zinc/67/72/04/1046677204.db2.gz QHUMBGYRSCUYOT-UHFFFAOYSA-N 1 0 384.528 3.616 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001263311468 1046707575 /nfs/dbraw/zinc/70/75/75/1046707575.db2.gz IZIFTLZTLHGQHV-UHFFFAOYSA-N 1 0 396.514 3.552 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001263338849 1046722009 /nfs/dbraw/zinc/72/20/09/1046722009.db2.gz WSMWTSTYLVDFLW-HXUWFJFHSA-N 1 0 392.551 3.626 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001301971905 1046769152 /nfs/dbraw/zinc/76/91/52/1046769152.db2.gz QILRIJBXXFYARW-IBGZPJMESA-N 1 0 394.567 3.739 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000586053312 1046876560 /nfs/dbraw/zinc/87/65/60/1046876560.db2.gz XETXUXZZKUISAR-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001302820615 1047123099 /nfs/dbraw/zinc/12/30/99/1047123099.db2.gz RGRGSQNABUFFAV-AVRDEDQJSA-N 1 0 388.604 3.973 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1C1CCC1)[NH+](C)C ZINC001303695805 1047484406 /nfs/dbraw/zinc/48/44/06/1047484406.db2.gz KRNZLZXTRQXDPT-UZLBHIALSA-N 1 0 378.524 3.536 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303750890 1047504362 /nfs/dbraw/zinc/50/43/62/1047504362.db2.gz CWSKCYYYAXDMTB-VQTJNVASSA-N 1 0 394.567 3.534 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)C(C)(C)Sc2ccc(Br)cc2)CC1 ZINC001303791770 1047513828 /nfs/dbraw/zinc/51/38/28/1047513828.db2.gz AWWGKJHBHHZFPC-UHFFFAOYSA-N 1 0 395.366 3.534 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305025899 1047840793 /nfs/dbraw/zinc/84/07/93/1047840793.db2.gz UZBDEIUENJHVKI-ROUUACIJSA-N 1 0 392.551 3.926 20 30 GHEDRO C=CCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N1CC(CC#N)C1 ZINC001279834815 1047963758 /nfs/dbraw/zinc/96/37/58/1047963758.db2.gz OBAZTMFVCZBQHM-IBGZPJMESA-N 1 0 375.582 3.693 20 30 GHEDRO CCCCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1nnco1 ZINC001279872407 1047975830 /nfs/dbraw/zinc/97/58/30/1047975830.db2.gz TVVFUCMNHUXMFK-MRXNPFEDSA-N 1 0 380.558 3.956 20 30 GHEDRO CCCCCCCNC(=S)N1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001279957142 1048011319 /nfs/dbraw/zinc/01/13/19/1048011319.db2.gz LQKAMSHTYCJLMV-UHFFFAOYSA-N 1 0 382.662 3.571 20 30 GHEDRO CC(C)=CCC[C@H](C)C[NH+]1CC2(C1)SCC[C@H]2C(=O)N1CC(CC#N)C1 ZINC001280246814 1048145497 /nfs/dbraw/zinc/14/54/97/1048145497.db2.gz CNSAGIPDQLYEMF-HKUYNNGSSA-N 1 0 375.582 3.548 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(N)=O)cc1 ZINC001280286534 1048161125 /nfs/dbraw/zinc/16/11/25/1048161125.db2.gz IWDNVKLYYRMSKT-IBGZPJMESA-N 1 0 376.566 3.829 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCC1 ZINC001305606029 1048177885 /nfs/dbraw/zinc/17/78/85/1048177885.db2.gz IFCCOXISJRJVPC-QGZVFWFLSA-N 1 0 380.540 3.783 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286283969 1048253302 /nfs/dbraw/zinc/25/33/02/1048253302.db2.gz WCXQGXUMWRJURQ-IAGOWNOFSA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286284795 1048254717 /nfs/dbraw/zinc/25/47/17/1048254717.db2.gz FXJHZRPSXYJEIR-RXVVDRJESA-N 1 0 390.535 3.814 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286286921 1048256011 /nfs/dbraw/zinc/25/60/11/1048256011.db2.gz LAZBDYLSYSMKLM-YLJYHZDGSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001286302935 1048264677 /nfs/dbraw/zinc/26/46/77/1048264677.db2.gz HISXYORJTLQGQB-VQTJNVASSA-N 1 0 385.600 3.981 20 30 GHEDRO C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001286339641 1048277759 /nfs/dbraw/zinc/27/77/59/1048277759.db2.gz QBTQBQUSXKACIH-QGZVFWFLSA-N 1 0 377.492 3.635 20 30 GHEDRO C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001286342313 1048278710 /nfs/dbraw/zinc/27/87/10/1048278710.db2.gz AKZVQKAGPDKXLG-UHFFFAOYSA-N 1 0 391.563 3.986 20 30 GHEDRO C#CCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286355667 1048285410 /nfs/dbraw/zinc/28/54/10/1048285410.db2.gz WJCAFODOTCVLIZ-UNMCSNQZSA-N 1 0 391.563 3.540 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](CC)[NH+]1CCCC1 ZINC001286362713 1048290475 /nfs/dbraw/zinc/29/04/75/1048290475.db2.gz DVSXXJUGGNGDSW-MSOLQXFVSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286371620 1048295214 /nfs/dbraw/zinc/29/52/14/1048295214.db2.gz ZBHXILIVVUHSBW-SFHVURJKSA-N 1 0 379.552 3.833 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001286371461 1048295268 /nfs/dbraw/zinc/29/52/68/1048295268.db2.gz RYNFTWKUCRMOQA-FQEVSTJZSA-N 1 0 389.503 3.753 20 30 GHEDRO C#CCN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001286372040 1048296096 /nfs/dbraw/zinc/29/60/96/1048296096.db2.gz LHMMWKVWSPRUJG-AZUAARDMSA-N 1 0 395.551 3.719 20 30 GHEDRO C#CCN(C)c1nnc(C2CCC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001286372529 1048296506 /nfs/dbraw/zinc/29/65/06/1048296506.db2.gz VTCHGIDDFZOBAF-OAQYLSRUSA-N 1 0 377.536 3.761 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCC[N@H+]1CC ZINC001286405524 1048305832 /nfs/dbraw/zinc/30/58/32/1048305832.db2.gz IOKOAVQRLOYHNQ-HXUWFJFHSA-N 1 0 395.938 3.546 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001286648291 1048414943 /nfs/dbraw/zinc/41/49/43/1048414943.db2.gz PCWBMFSIQQTZGR-NRFANRHFSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001286663268 1048429363 /nfs/dbraw/zinc/42/93/63/1048429363.db2.gz JUFWSXUZEKMZFJ-IEBWSBKVSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCCCn1c(-c2ccccc2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286696898 1048457562 /nfs/dbraw/zinc/45/75/62/1048457562.db2.gz VCOIZJXUGKIUFP-UHFFFAOYSA-N 1 0 395.551 3.521 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001286722418 1048479633 /nfs/dbraw/zinc/47/96/33/1048479633.db2.gz IOLBDFCAKDALHG-SFHVURJKSA-N 1 0 382.537 3.635 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001286729516 1048485514 /nfs/dbraw/zinc/48/55/14/1048485514.db2.gz WSJCXSFIOBVOND-PKOBYXMFSA-N 1 0 383.540 3.881 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001286730026 1048486965 /nfs/dbraw/zinc/48/69/65/1048486965.db2.gz LCIVGMULLVOFCJ-FQEVSTJZSA-N 1 0 381.568 3.806 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC[N@H+](C)C1CCCC1 ZINC001286730863 1048488215 /nfs/dbraw/zinc/48/82/15/1048488215.db2.gz QNGYFWZTBYLVAY-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO C=CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC001286734160 1048492173 /nfs/dbraw/zinc/49/21/73/1048492173.db2.gz OPWABPFFEPNBKW-GOSISDBHSA-N 1 0 395.551 3.840 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC001286737508 1048495527 /nfs/dbraw/zinc/49/55/27/1048495527.db2.gz QHNZPPXYJXHVNL-LJQANCHMSA-N 1 0 394.567 3.683 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCC[N@H+]1CCCC)C1CC1 ZINC001286738586 1048497273 /nfs/dbraw/zinc/49/72/73/1048497273.db2.gz XKAJKMPBPOTSLO-UYAOXDASSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC[N@@H+](C)C(C)C ZINC001286751632 1048504290 /nfs/dbraw/zinc/50/42/90/1048504290.db2.gz RHTWSSGPFVSKMD-GOSISDBHSA-N 1 0 389.569 3.724 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@H](C)[NH+](C)C ZINC001286763803 1048515664 /nfs/dbraw/zinc/51/56/64/1048515664.db2.gz UTYXLJQYKKMBPP-KRWDZBQOSA-N 1 0 397.498 3.862 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001286800805 1048529495 /nfs/dbraw/zinc/52/94/95/1048529495.db2.gz REACLWASCCDDFA-CEWLAPEOSA-N 1 0 397.567 3.876 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001286800875 1048529635 /nfs/dbraw/zinc/52/96/35/1048529635.db2.gz RYGZBILJNWOTQF-RBUKOAKNSA-N 1 0 389.588 3.621 20 30 GHEDRO C=CCSCCn1c(-c2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001286828729 1048538676 /nfs/dbraw/zinc/53/86/76/1048538676.db2.gz AWXMDNKHNDDAKL-MJGOQNOKSA-N 1 0 383.565 3.537 20 30 GHEDRO CCC[N@H+](CC)CCn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1 ZINC001306806750 1048906906 /nfs/dbraw/zinc/90/69/06/1048906906.db2.gz YUCCQQUFADHTNV-UHFFFAOYSA-N 1 0 398.530 3.946 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1)C(C)C ZINC001287954353 1048956236 /nfs/dbraw/zinc/95/62/36/1048956236.db2.gz FFKIBOUFBTUQKN-UHFFFAOYSA-N 1 0 380.540 3.926 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1Br ZINC001307071040 1049052770 /nfs/dbraw/zinc/05/27/70/1049052770.db2.gz DLOTZGIXHPUBHG-UKRRQHHQSA-N 1 0 378.289 3.913 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1c(F)cc(C#N)cc1F ZINC001288425048 1049087828 /nfs/dbraw/zinc/08/78/28/1049087828.db2.gz SFADFOOYPFEWDX-SFHVURJKSA-N 1 0 383.442 3.963 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CC#N)C[NH+]1CCCCC1 ZINC001288698138 1049203271 /nfs/dbraw/zinc/20/32/71/1049203271.db2.gz JJNVXDVDYNMPQY-MSOLQXFVSA-N 1 0 398.530 3.945 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1 ZINC001307489702 1049330051 /nfs/dbraw/zinc/33/00/51/1049330051.db2.gz MDMPBMOUDGZEDA-GJZGRUSLSA-N 1 0 380.492 3.643 20 30 GHEDRO CC[N@H+]([C@H](COC)Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307520517 1049364248 /nfs/dbraw/zinc/36/42/48/1049364248.db2.gz JDIMMPAEFABJSZ-GOTSBHOMSA-N 1 0 391.515 3.633 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CC)C2)c1 ZINC001307521853 1049366023 /nfs/dbraw/zinc/36/60/23/1049366023.db2.gz YCDJRGVOWABOGL-SIKLNZKXSA-N 1 0 389.499 3.832 20 30 GHEDRO N#CC1(CCCC[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)CCC1 ZINC001307571591 1049412271 /nfs/dbraw/zinc/41/22/71/1049412271.db2.gz JYTSLSALKJIEMP-UHFFFAOYSA-N 1 0 379.504 3.859 20 30 GHEDRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001307595457 1049433826 /nfs/dbraw/zinc/43/38/26/1049433826.db2.gz KGQRWOBKYUWWHM-GLYQVZKVSA-N 1 0 392.547 3.528 20 30 GHEDRO Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)[NH+](C)C)s1 ZINC001289637848 1049570437 /nfs/dbraw/zinc/57/04/37/1049570437.db2.gz YXFJQQRUBTYJEO-HNNXBMFYSA-N 1 0 394.548 3.773 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](Cc2ccc(OC)cc2)C(C)(C)C)c1 ZINC001307815603 1049612180 /nfs/dbraw/zinc/61/21/80/1049612180.db2.gz RZJHFKDYGHGFOA-UHFFFAOYSA-N 1 0 393.487 3.625 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC001307833949 1049622857 /nfs/dbraw/zinc/62/28/57/1049622857.db2.gz VJGLXHIEQNQCLX-QHCPKHFHSA-N 1 0 398.453 3.720 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001307926151 1049700029 /nfs/dbraw/zinc/70/00/29/1049700029.db2.gz NXOQLKBTMKNJNZ-FUPPJEDESA-N 1 0 386.536 3.875 20 30 GHEDRO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC001307973011 1049732099 /nfs/dbraw/zinc/73/20/99/1049732099.db2.gz VUXHRYIDJNHBRT-ISKFKSNPSA-N 1 0 378.516 3.898 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001308023016 1049773894 /nfs/dbraw/zinc/77/38/94/1049773894.db2.gz UUIGTVRNKIXCRX-IEBWSBKVSA-N 1 0 385.508 3.788 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC001308068769 1049814643 /nfs/dbraw/zinc/81/46/43/1049814643.db2.gz QYGQYOYCSGTOBE-GOSISDBHSA-N 1 0 386.499 3.511 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@@H+](C)C[C@H]2CC(C)C)c1C#N ZINC001308101032 1049846930 /nfs/dbraw/zinc/84/69/30/1049846930.db2.gz UPYGZJQDQFPNNR-HXUWFJFHSA-N 1 0 399.583 3.692 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)CCC1 ZINC001308102295 1049848616 /nfs/dbraw/zinc/84/86/16/1049848616.db2.gz YEWOPFHIPVQKHO-QFIPXVFZSA-N 1 0 386.923 3.672 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC001308106286 1049851249 /nfs/dbraw/zinc/85/12/49/1049851249.db2.gz YUSPKWPHPQVGKU-MSOLQXFVSA-N 1 0 382.533 3.651 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCCSC[C@@H]2C)c1C#N ZINC001308140478 1049879023 /nfs/dbraw/zinc/87/90/23/1049879023.db2.gz HAQPVGOUWVBTKB-HNNXBMFYSA-N 1 0 382.533 3.732 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC001308170545 1049898851 /nfs/dbraw/zinc/89/88/51/1049898851.db2.gz HSLPKYSOJRTQNS-YSTOQKLRSA-N 1 0 399.535 3.605 20 30 GHEDRO CCC(CC)[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CCOCC1 ZINC001308193296 1049907434 /nfs/dbraw/zinc/90/74/34/1049907434.db2.gz SOSQIQOEWSNFSY-LJQANCHMSA-N 1 0 394.357 3.547 20 30 GHEDRO C=CCN(CC=C)[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2C)CC1)C(C)C ZINC001308196198 1049908250 /nfs/dbraw/zinc/90/82/50/1049908250.db2.gz DCQNCESHJGJVJS-QHCPKHFHSA-N 1 0 383.580 3.888 20 30 GHEDRO Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001290768619 1049920091 /nfs/dbraw/zinc/92/00/91/1049920091.db2.gz FHBOVTRHOYMDSI-HKUYNNGSSA-N 1 0 398.580 3.861 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccccc1Oc1ccc(F)c(Cl)c1 ZINC001308342185 1049953318 /nfs/dbraw/zinc/95/33/18/1049953318.db2.gz GIOPDKWZCDFBPW-UHFFFAOYSA-N 1 0 383.872 3.962 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(Br)cc2C#N)C1 ZINC001290984168 1049964505 /nfs/dbraw/zinc/96/45/05/1049964505.db2.gz MACGGWNUMFCVQD-GASCZTMLSA-N 1 0 392.341 3.809 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCNc3ncc(Cl)c(C)c3C#N)CC2)c1 ZINC001306924230 1049965694 /nfs/dbraw/zinc/96/56/94/1049965694.db2.gz BKQYKXQKCWXYIH-UHFFFAOYSA-N 1 0 383.927 3.848 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001308442344 1049977436 /nfs/dbraw/zinc/97/74/36/1049977436.db2.gz FNMCKBNHCVILJG-YOEHRIQHSA-N 1 0 378.538 3.722 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC001308758527 1050084738 /nfs/dbraw/zinc/08/47/38/1050084738.db2.gz BMVFVRIEDLZAMF-SFHVURJKSA-N 1 0 387.524 3.696 20 30 GHEDRO Cc1ncc(CO)c(/C=N\C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1O ZINC001327709044 1050259164 /nfs/dbraw/zinc/25/91/64/1050259164.db2.gz PLGQZRLQCMQDHS-ZUKUQDIYSA-N 1 0 379.504 3.593 20 30 GHEDRO N#Cc1cccc(OCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001327876889 1050310309 /nfs/dbraw/zinc/31/03/09/1050310309.db2.gz SKPWINFHGZBXCV-FRIKZZABSA-N 1 0 389.499 3.639 20 30 GHEDRO N#Cc1cnc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001327986099 1050345753 /nfs/dbraw/zinc/34/57/53/1050345753.db2.gz VORXTYHNGKEHGS-YQQQUEKLSA-N 1 0 377.448 3.859 20 30 GHEDRO CC(C)Oc1ccc([C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)N(C)C)cc1 ZINC001327991814 1050348378 /nfs/dbraw/zinc/34/83/78/1050348378.db2.gz KRTJJFSKLHHTLD-QFIPXVFZSA-N 1 0 394.519 3.567 20 30 GHEDRO N#Cc1sc2ccccc2c1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC001309187531 1050446879 /nfs/dbraw/zinc/44/68/79/1050446879.db2.gz DKJVQTSMDFHXHR-UHFFFAOYSA-N 1 0 391.562 3.707 20 30 GHEDRO CN1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140978 1050731703 /nfs/dbraw/zinc/73/17/03/1050731703.db2.gz IRCYNUCAQCDNFZ-UWJYYQICSA-N 1 0 382.533 3.621 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC001329992760 1050936373 /nfs/dbraw/zinc/93/63/73/1050936373.db2.gz YZVGPYZLAXBLER-UHFFFAOYSA-N 1 0 387.936 3.605 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001330572065 1051030593 /nfs/dbraw/zinc/03/05/93/1051030593.db2.gz PNKJLHRWPHPKSW-UHFFFAOYSA-N 1 0 389.710 3.630 20 30 GHEDRO N#CCOc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001310037420 1051114928 /nfs/dbraw/zinc/11/49/28/1051114928.db2.gz VVWAOEOCCBRDCU-UXHICEINSA-N 1 0 390.487 3.575 20 30 GHEDRO Cc1nc(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)ccc1C#N ZINC001330921204 1051146301 /nfs/dbraw/zinc/14/63/01/1051146301.db2.gz JRKDGOJWPVWRON-UHFFFAOYSA-N 1 0 377.473 3.718 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)cc2)nc1 ZINC001310214674 1051228369 /nfs/dbraw/zinc/22/83/69/1051228369.db2.gz XQYQKWVLYFDKBX-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO CC1CC[NH+](CCc2nnc(-c3ccc(Br)cc3C#N)o2)CC1 ZINC001333107373 1051665678 /nfs/dbraw/zinc/66/56/78/1051665678.db2.gz LPIAAPAIBCMAEP-UHFFFAOYSA-N 1 0 375.270 3.645 20 30 GHEDRO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)cc1C#N ZINC001311120939 1051874902 /nfs/dbraw/zinc/87/49/02/1051874902.db2.gz BZCCVQHKDMIRCA-NRFANRHFSA-N 1 0 392.503 3.941 20 30 GHEDRO C[NH+](C)CCN(C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C1CCCC1 ZINC001311146119 1051904174 /nfs/dbraw/zinc/90/41/74/1051904174.db2.gz ULTRHHKWTUNNQU-QGZVFWFLSA-N 1 0 382.430 3.677 20 30 GHEDRO N#CC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC001311216018 1051947201 /nfs/dbraw/zinc/94/72/01/1051947201.db2.gz MWDQGNFSBXFHPR-SQNIBIBYSA-N 1 0 394.441 3.527 20 30 GHEDRO C#CCN(C(=O)NCC1(c2ccc(Cl)cc2)CCCC1)C1CC[NH+](C)CC1 ZINC001311678959 1052325139 /nfs/dbraw/zinc/32/51/39/1052325139.db2.gz QDYXXYGMWJTVEK-UHFFFAOYSA-N 1 0 387.955 3.891 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001312322634 1052695036 /nfs/dbraw/zinc/69/50/36/1052695036.db2.gz CWXOFWGUHMFGNQ-GOTSBHOMSA-N 1 0 375.516 3.961 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001313126149 1052964396 /nfs/dbraw/zinc/96/43/96/1052964396.db2.gz QOFGKTGEOJHVGV-UHFFFAOYSA-N 1 0 392.632 3.817 20 30 GHEDRO C=C(C)Cn1c([C@H](C)[C@@H](O)CC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342308794 1053095363 /nfs/dbraw/zinc/09/53/63/1053095363.db2.gz BCZNMTXTUMJVGU-MOPGFXCFSA-N 1 0 389.588 3.573 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001313657086 1053157275 /nfs/dbraw/zinc/15/72/75/1053157275.db2.gz JAWRNHZKRDQVGI-KURKYZTESA-N 1 0 380.540 3.782 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 ZINC001313696609 1053180563 /nfs/dbraw/zinc/18/05/63/1053180563.db2.gz UYMNRTDBULULBG-UHFFFAOYSA-N 1 0 396.539 3.759 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001342521067 1053214279 /nfs/dbraw/zinc/21/42/79/1053214279.db2.gz DQSPHXOFMFGRGI-HSZRJFAPSA-N 1 0 399.583 3.747 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001313887566 1053271699 /nfs/dbraw/zinc/27/16/99/1053271699.db2.gz VPPVVWPXIMJATQ-IBGZPJMESA-N 1 0 392.551 3.725 20 30 GHEDRO CCn1c(C2CCN(CCC#N)CC2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001342685979 1053299200 /nfs/dbraw/zinc/29/92/00/1053299200.db2.gz PITSXOBQRKFVSL-FQEVSTJZSA-N 1 0 378.524 3.733 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001342918861 1053434115 /nfs/dbraw/zinc/43/41/15/1053434115.db2.gz PREVNHANBPXSSF-MJGOQNOKSA-N 1 0 399.539 3.744 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001342969325 1053466501 /nfs/dbraw/zinc/46/65/01/1053466501.db2.gz XFLSTRXLSBABAO-FQEVSTJZSA-N 1 0 392.551 3.657 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001314665714 1053556263 /nfs/dbraw/zinc/55/62/63/1053556263.db2.gz PVRLBJZICGGWSP-QFIPXVFZSA-N 1 0 398.530 3.802 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCOCC1 ZINC001343399227 1053749573 /nfs/dbraw/zinc/74/95/73/1053749573.db2.gz HXCVPZGJAMGXQA-FCHUYYIVSA-N 1 0 396.531 3.788 20 30 GHEDRO N#CC1CCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001316535434 1054218652 /nfs/dbraw/zinc/21/86/52/1054218652.db2.gz OGLAACAIDXSVDA-UHFFFAOYSA-N 1 0 398.580 3.546 20 30 GHEDRO CN(Cc1cc(C#N)cs1)c1nnc([C@H]2CCCN2C)n1Cc1ccccc1 ZINC001344068817 1054225025 /nfs/dbraw/zinc/22/50/25/1054225025.db2.gz OFJHVBHVWMOLSQ-LJQANCHMSA-N 1 0 392.532 3.663 20 30 GHEDRO CC(=O)C1C(C)=NC(C(=O)C(C(=S)NCC2CCC2)[n+]2cccc(C)c2)=C1C ZINC001318205650 1054497624 /nfs/dbraw/zinc/49/76/24/1054497624.db2.gz NMCGIXOIAWFMMD-UHFFFAOYSA-O 1 0 398.552 3.878 20 30 GHEDRO C#CCC(C)(C)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001344699587 1054683032 /nfs/dbraw/zinc/68/30/32/1054683032.db2.gz WIOXDHHTAUXGQL-RTBURBONSA-N 1 0 382.529 3.951 20 30 GHEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001320305778 1055745773 /nfs/dbraw/zinc/74/57/73/1055745773.db2.gz FULIBQDNSMDUBM-TVTNDZMWSA-N 1 0 388.508 3.680 20 30 GHEDRO CCN(C(=O)Nc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001320359299 1055771395 /nfs/dbraw/zinc/77/13/95/1055771395.db2.gz VQGQNQAAQXBZAV-HXUWFJFHSA-N 1 0 378.476 3.717 20 30 GHEDRO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2cccc(OCC#N)c2)o1 ZINC001320417105 1055794227 /nfs/dbraw/zinc/79/42/27/1055794227.db2.gz KVOFGCHMADVKKP-UHFFFAOYSA-N 1 0 376.412 3.925 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)c2)s1 ZINC001320806719 1055969763 /nfs/dbraw/zinc/96/97/63/1055969763.db2.gz MNSHCOYLGMEAET-UHFFFAOYSA-N 1 0 385.452 3.797 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)[C@H](C)C1 ZINC001353940262 1056156201 /nfs/dbraw/zinc/15/62/01/1056156201.db2.gz SGRAJSROGYGUMZ-QUCCMNQESA-N 1 0 394.567 3.585 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001354255884 1056475675 /nfs/dbraw/zinc/47/56/75/1056475675.db2.gz ICOQABLRMOMYCE-LVQVYYBASA-N 1 0 383.483 3.939 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+](C)[C@H](C)CC ZINC001300613522 1056659082 /nfs/dbraw/zinc/65/90/82/1056659082.db2.gz JGXLNJIYVYESKC-GOSISDBHSA-N 1 0 390.535 3.683 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001322404811 1056681627 /nfs/dbraw/zinc/68/16/27/1056681627.db2.gz RITCFIGWJBESFR-UHFFFAOYSA-N 1 0 389.952 3.982 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)[NH+](CC)CC ZINC001300633497 1056734121 /nfs/dbraw/zinc/73/41/21/1056734121.db2.gz JMINMRYOHOFJNA-GOSISDBHSA-N 1 0 392.551 3.540 20 30 GHEDRO C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300750821 1056979429 /nfs/dbraw/zinc/97/94/29/1056979429.db2.gz CVVWDPZHPHJJCL-UHFFFAOYSA-N 1 0 397.592 3.540 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(C#N)c(Cl)n1 ZINC001354920070 1056983503 /nfs/dbraw/zinc/98/35/03/1056983503.db2.gz FUFVDTHOOBKCLP-HNNXBMFYSA-N 1 0 382.895 3.911 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001324058592 1057062929 /nfs/dbraw/zinc/06/29/29/1057062929.db2.gz DZMUPPIHWMGZNH-NOTZXAQLSA-N 1 0 388.515 3.943 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001324231013 1057093511 /nfs/dbraw/zinc/09/35/11/1057093511.db2.gz VXZJLRNKFABXNM-LQCXBHPOSA-N 1 0 383.536 3.559 20 30 GHEDRO C=CC[C@H]1N(c2nnc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2C)CCCC1(C)C ZINC001355308535 1057113879 /nfs/dbraw/zinc/11/38/79/1057113879.db2.gz BCPOICOBOPTNJW-RBUKOAKNSA-N 1 0 387.572 3.702 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)C1 ZINC001324334134 1057114263 /nfs/dbraw/zinc/11/42/63/1057114263.db2.gz FVLZRFOUCAUZOC-OOMBGRCJSA-N 1 0 395.934 3.927 20 30 GHEDRO C=C(C)Cn1c([C@H]2COc3ccccc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001355873611 1057300979 /nfs/dbraw/zinc/30/09/79/1057300979.db2.gz SWRGYRUHMJFDMI-QUCCMNQESA-N 1 0 395.551 3.547 20 30 GHEDRO C=CCn1c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001356007441 1057353891 /nfs/dbraw/zinc/35/38/91/1057353891.db2.gz IXFYMJZLKMOBFG-MBSDFSHPSA-N 1 0 394.567 3.500 20 30 GHEDRO C[C@H](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001325887922 1057380666 /nfs/dbraw/zinc/38/06/66/1057380666.db2.gz OFNJXUJECBBOFL-QGZVFWFLSA-N 1 0 386.540 3.762 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001356100884 1057389472 /nfs/dbraw/zinc/38/94/72/1057389472.db2.gz OXAUQPSFYAASFX-RTBURBONSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001356107023 1057390824 /nfs/dbraw/zinc/39/08/24/1057390824.db2.gz HVCYACZNWVYMIW-IEBWSBKVSA-N 1 0 375.561 3.510 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c(C#N)c1C ZINC001325996350 1057393413 /nfs/dbraw/zinc/39/34/13/1057393413.db2.gz NXIXXXQHKCCSGX-SFHVURJKSA-N 1 0 394.519 3.611 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)Nc3cccc(F)c3F)CC2)c1 ZINC001326714723 1057540238 /nfs/dbraw/zinc/54/02/38/1057540238.db2.gz CGZVDDMSKXXRCZ-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H](CO)Cc2ccco2)cc1 ZINC000849054323 1057564857 /nfs/dbraw/zinc/56/48/57/1057564857.db2.gz FLWKXDFTRJBDBX-HXUWFJFHSA-N 1 0 377.488 3.997 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001357144024 1057614660 /nfs/dbraw/zinc/61/46/60/1057614660.db2.gz GOCHIARETYTDEP-OWSLCNJRSA-N 1 0 393.526 3.924 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001337971502 1058348952 /nfs/dbraw/zinc/34/89/52/1058348952.db2.gz ZUKHWRHKBKNPBZ-OTWHNJEPSA-N 1 0 385.581 3.673 20 30 GHEDRO COc1cccc([C@H](CNC(=O)[C@H](CC#N)c2ccccc2)[NH+]2CCCC2)c1 ZINC001440368370 1058503124 /nfs/dbraw/zinc/50/31/24/1058503124.db2.gz FWPYYCZMFIDTEO-YADHBBJMSA-N 1 0 377.488 3.646 20 30 GHEDRO CSc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001440741231 1058604382 /nfs/dbraw/zinc/60/43/82/1058604382.db2.gz ODCCHZFSGSRAJF-UHFFFAOYSA-N 1 0 393.556 3.947 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001339004039 1058920567 /nfs/dbraw/zinc/92/05/67/1058920567.db2.gz PCUNFMNSHMCCPE-IBGZPJMESA-N 1 0 398.555 3.828 20 30 GHEDRO C=CCn1c([C@@H](C)C(C)(C)O)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001339041183 1058936441 /nfs/dbraw/zinc/93/64/41/1058936441.db2.gz WBPUAEUXFXIFSJ-GOSISDBHSA-N 1 0 389.588 3.573 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001442469853 1058965015 /nfs/dbraw/zinc/96/50/15/1058965015.db2.gz OIKOJJLWHSSZLJ-NRFANRHFSA-N 1 0 376.500 3.731 20 30 GHEDRO C=CCn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N(C)CCC(F)(F)F ZINC001339135539 1058975261 /nfs/dbraw/zinc/97/52/61/1058975261.db2.gz MJIVDHSCSMXGBS-DLBZAZTESA-N 1 0 393.457 3.666 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001339528264 1059280493 /nfs/dbraw/zinc/28/04/93/1059280493.db2.gz ADFCGVXQMKDTMG-WOJBJXKFSA-N 1 0 392.551 3.585 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001339612335 1059346378 /nfs/dbraw/zinc/34/63/78/1059346378.db2.gz CGLDSBWOAAQTRA-RBUKOAKNSA-N 1 0 380.540 3.806 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)CC1 ZINC001339684212 1059388537 /nfs/dbraw/zinc/38/85/37/1059388537.db2.gz ISFFFEWIFDZUKJ-IBGZPJMESA-N 1 0 393.572 3.617 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001340252274 1059793408 /nfs/dbraw/zinc/79/34/08/1059793408.db2.gz MFIGOHGQEIRVGZ-BWTSREIZSA-N 1 0 381.528 3.575 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340431591 1059928060 /nfs/dbraw/zinc/92/80/60/1059928060.db2.gz UHFIDLDUYCZDIP-PBASOCQRSA-N 1 0 399.583 3.590 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)CC1 ZINC001340513589 1059957738 /nfs/dbraw/zinc/95/77/38/1059957738.db2.gz OFEIMYCBXKLLSD-UHFFFAOYSA-N 1 0 394.567 3.729 20 30 GHEDRO CCn1c(C2CCN(CCC#N)CC2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001341034554 1060345921 /nfs/dbraw/zinc/34/59/21/1060345921.db2.gz CAOFHWFIMVFMAA-MRXNPFEDSA-N 1 0 384.503 3.728 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)cc1OC ZINC001449891387 1060477475 /nfs/dbraw/zinc/47/74/75/1060477475.db2.gz IMTAQQQOMRYMAL-PKNBQFBNSA-N 1 0 384.520 3.750 20 30 GHEDRO [NH3+]CCCCCCC(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001341308153 1060569169 /nfs/dbraw/zinc/56/91/69/1060569169.db2.gz HLZWHOJGMPUJBG-AOOOYVTPSA-N 1 0 396.322 3.525 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001341992625 1060986275 /nfs/dbraw/zinc/98/62/75/1060986275.db2.gz BTUOWCMQSKOMPJ-GOEBONIOSA-N 1 0 385.478 3.831 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001342007027 1060993351 /nfs/dbraw/zinc/99/33/51/1060993351.db2.gz QIGIRTOSASUTBF-YESZJQIVSA-N 1 0 398.580 3.632 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342012208 1060994818 /nfs/dbraw/zinc/99/48/18/1060994818.db2.gz AUTRXRUWVBWCJM-NUJGCVRESA-N 1 0 391.510 3.820 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001342259576 1061182645 /nfs/dbraw/zinc/18/26/45/1061182645.db2.gz PUGILJBEQPTNID-RVKKMQEKSA-N 1 0 398.382 3.684 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001345955138 1061241030 /nfs/dbraw/zinc/24/10/30/1061241030.db2.gz CFVLDKUCRBYVEY-HXPMCKFVSA-N 1 0 392.286 3.905 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2CC2CC2)CC1)CC(C)C ZINC001346054078 1061323441 /nfs/dbraw/zinc/32/34/41/1061323441.db2.gz LQLZGFAAYYOFFI-LEWJYISDSA-N 1 0 398.599 3.900 20 30 GHEDRO Cc1nc(SCC(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(C#N)c(C)c1C ZINC001454121656 1061617831 /nfs/dbraw/zinc/61/78/31/1061617831.db2.gz IMJXLQAUJXPPTK-LIRRHRJNSA-N 1 0 388.581 3.549 20 30 GHEDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cc(C#N)ccc1F ZINC001361132799 1061646671 /nfs/dbraw/zinc/64/66/71/1061646671.db2.gz BXORPQFZMFELML-TZIWHRDSSA-N 1 0 379.479 3.862 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC001346540568 1061668523 /nfs/dbraw/zinc/66/85/23/1061668523.db2.gz NIODDDKMHMGXKA-INIZCTEOSA-N 1 0 376.298 3.720 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001346549038 1061674763 /nfs/dbraw/zinc/67/47/63/1061674763.db2.gz SMWYQLGZNNFEER-KOUHRCEDSA-N 1 0 390.535 3.580 20 30 GHEDRO C=C1CCN(c2nnc(CCC[N@@H+](C)Cc3c(C)noc3C)n2CC2CC2)CC1 ZINC001346599641 1061719440 /nfs/dbraw/zinc/71/94/40/1061719440.db2.gz MFLSAXFOBWTLNX-UHFFFAOYSA-N 1 0 398.555 3.514 20 30 GHEDRO N#Cc1cc(F)cc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001454718588 1061920367 /nfs/dbraw/zinc/92/03/67/1061920367.db2.gz GPFGDXGQZDKYLZ-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC001347341351 1062310483 /nfs/dbraw/zinc/31/04/83/1062310483.db2.gz LJRTYYWALHHCPL-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001435565925 1062739855 /nfs/dbraw/zinc/73/98/55/1062739855.db2.gz KLEDKKYBALHUEU-AQNXPRMDSA-N 1 0 375.516 3.858 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1CC1 ZINC001348109397 1062921849 /nfs/dbraw/zinc/92/18/49/1062921849.db2.gz MFVKANAGCZRDQG-RBUKOAKNSA-N 1 0 392.551 3.806 20 30 GHEDRO N#Cc1cnc(NC2CC[NH+](CCc3ccccc3)CC2)c(Br)c1 ZINC001458094492 1063561243 /nfs/dbraw/zinc/56/12/43/1063561243.db2.gz JLXYSFIEAKYIFT-UHFFFAOYSA-N 1 0 385.309 3.835 20 30 GHEDRO C=CCC[C@@H]1CCCN1c1nnc(C2CC[NH+](C)CC2)n1C[C@H]1CCCCO1 ZINC001349411098 1063704726 /nfs/dbraw/zinc/70/47/26/1063704726.db2.gz HYZZYTDGXSIAPF-WOJBJXKFSA-N 1 0 387.572 3.591 20 30 GHEDRO Cc1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC001458460862 1063823339 /nfs/dbraw/zinc/82/33/39/1063823339.db2.gz GXRXLELGZPQAFT-YESZJQIVSA-N 1 0 377.492 3.577 20 30 GHEDRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC001350101238 1063989906 /nfs/dbraw/zinc/98/99/06/1063989906.db2.gz ZKDLDYBDJMISBV-LJQANCHMSA-N 1 0 376.504 3.845 20 30 GHEDRO Cc1cc(C#N)ccc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC001459178422 1064015504 /nfs/dbraw/zinc/01/55/04/1064015504.db2.gz DXKANGCQRWGHJI-UHFFFAOYSA-N 1 0 394.478 3.507 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CCc3ccc4c(c3)OC(F)(F)O4)CC2)c1 ZINC001459447094 1064100787 /nfs/dbraw/zinc/10/07/87/1064100787.db2.gz IMXUOUIZGLFKOU-UHFFFAOYSA-N 1 0 386.398 3.966 20 30 GHEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001459447490 1064101241 /nfs/dbraw/zinc/10/12/41/1064101241.db2.gz JOJLNWPTNBDGTJ-NRFANRHFSA-N 1 0 388.467 3.522 20 30 GHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC001459575940 1064133125 /nfs/dbraw/zinc/13/31/25/1064133125.db2.gz JDOJDFKSRNSWKM-NRFANRHFSA-N 1 0 379.504 3.715 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)C1=O ZINC001459833253 1064236642 /nfs/dbraw/zinc/23/66/42/1064236642.db2.gz IKHKNXGDEQOUIO-HOJAQTOUSA-N 1 0 386.536 3.871 20 30 GHEDRO CN([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C[NH+]1CCCCCC1 ZINC001459986533 1064322056 /nfs/dbraw/zinc/32/20/56/1064322056.db2.gz RPANEMVFQOYLGJ-OAQYLSRUSA-N 1 0 382.552 3.640 20 30 GHEDRO C=CCn1c([C@H](O)C2CCCC2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001351484017 1064471424 /nfs/dbraw/zinc/47/14/24/1064471424.db2.gz HPYJNAIPPKFXQP-HXUWFJFHSA-N 1 0 389.588 3.636 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@](C)(CC)C1 ZINC001352149616 1064885509 /nfs/dbraw/zinc/88/55/09/1064885509.db2.gz CHJHSFLKONTNEX-DENIHFKCSA-N 1 0 387.572 3.797 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001464208818 1064907851 /nfs/dbraw/zinc/90/78/51/1064907851.db2.gz CEXQBSSHNZTNBU-QZTJIDSGSA-N 1 0 391.515 3.975 20 30 GHEDRO CCn1c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001352407808 1065024284 /nfs/dbraw/zinc/02/42/84/1065024284.db2.gz IDHCOHWJQSQXNG-XQFWAAQXSA-N 1 0 392.551 3.664 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001464483155 1065039293 /nfs/dbraw/zinc/03/92/93/1065039293.db2.gz DHOFXSUNERIFNU-LJQANCHMSA-N 1 0 393.572 3.713 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc4c[nH+]cn4c3)cn2)c1 ZINC001465223692 1065473678 /nfs/dbraw/zinc/47/36/78/1065473678.db2.gz YLZGYSYXCMLGIP-UHFFFAOYSA-N 1 0 384.399 3.715 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC001465779741 1065849953 /nfs/dbraw/zinc/84/99/53/1065849953.db2.gz RSUULNMCLBNUSO-IERDGZPVSA-N 1 0 383.467 3.959 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001300312412 1065970989 /nfs/dbraw/zinc/97/09/89/1065970989.db2.gz ZRMJIAISWTWVOF-OALUTQOASA-N 1 0 383.540 3.755 20 30 GHEDRO Cc1cnc(CCCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000847746563 1066015968 /nfs/dbraw/zinc/01/59/68/1066015968.db2.gz MFTZBMSUDNXNFT-UHFFFAOYSA-N 1 0 381.476 3.655 20 30 GHEDRO CO[C@H](Cc1ccccc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746352 1066016162 /nfs/dbraw/zinc/01/61/62/1066016162.db2.gz FGLLCRGWXTXYBA-JOCHJYFZSA-N 1 0 392.499 3.593 20 30 GHEDRO CC1CCC(OCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000847746322 1066017096 /nfs/dbraw/zinc/01/70/96/1066017096.db2.gz CNCQKNCIBBIODS-UHFFFAOYSA-N 1 0 384.520 3.931 20 30 GHEDRO CC(C)(C)c1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n[nH]1 ZINC000847745789 1066019849 /nfs/dbraw/zinc/01/98/49/1066019849.db2.gz PJOVGBXNGPWTMZ-UHFFFAOYSA-N 1 0 380.492 3.670 20 30 GHEDRO COc1cccc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847746045 1066020719 /nfs/dbraw/zinc/02/07/19/1066020719.db2.gz WQFVTBMBVRFDKB-UHFFFAOYSA-N 1 0 378.472 3.587 20 30 GHEDRO N#CC1(COC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847745798 1066020850 /nfs/dbraw/zinc/02/08/50/1066020850.db2.gz PSTQUYVMOZVTMC-UHFFFAOYSA-N 1 0 379.416 3.558 20 30 GHEDRO CC(C)(C)c1ncc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000847746915 1066027313 /nfs/dbraw/zinc/02/73/13/1066027313.db2.gz RQSVKNTUKABLEK-UHFFFAOYSA-N 1 0 392.503 3.737 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC001466215473 1066039083 /nfs/dbraw/zinc/03/90/83/1066039083.db2.gz CLIJJUBBXUDMPV-QGZVFWFLSA-N 1 0 394.523 3.691 20 30 GHEDRO C#CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001300399390 1066219546 /nfs/dbraw/zinc/21/95/46/1066219546.db2.gz KIAZSPDPLWKKCY-IRXDYDNUSA-N 1 0 385.943 3.931 20 30 GHEDRO N#Cc1cccc(NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC001466941209 1066403949 /nfs/dbraw/zinc/40/39/49/1066403949.db2.gz SORRSMJDDVTXME-UHFFFAOYSA-N 1 0 391.519 3.810 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001477653517 1078510320 /nfs/dbraw/zinc/51/03/20/1078510320.db2.gz SWLWZSOXOCYWHK-QHCPKHFHSA-N 1 0 390.531 3.654 20 30 GHEDRO C#Cc1cccc(N(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C(C)C)c1 ZINC001358275278 1067462040 /nfs/dbraw/zinc/46/20/40/1067462040.db2.gz ZIAYEVBXRIDAJG-UHFFFAOYSA-N 1 0 378.516 3.983 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC001467870902 1067508861 /nfs/dbraw/zinc/50/88/61/1067508861.db2.gz PPQBFFFNDUSUMR-IBGZPJMESA-N 1 0 385.552 3.531 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358885774 1067596441 /nfs/dbraw/zinc/59/64/41/1067596441.db2.gz QICZRCZCHKGASO-VQTJNVASSA-N 1 0 394.567 3.761 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001358895417 1067601791 /nfs/dbraw/zinc/60/17/91/1067601791.db2.gz IYNCBTHOAORUSZ-UWJYYQICSA-N 1 0 397.542 3.911 20 30 GHEDRO C#CCCCn1c(-c2ccc(OC)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001358924805 1067615321 /nfs/dbraw/zinc/61/53/21/1067615321.db2.gz JOBKDUQFMZOVSR-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001358926690 1067616092 /nfs/dbraw/zinc/61/60/92/1067616092.db2.gz YDFNCXGURQEXDI-HXUWFJFHSA-N 1 0 394.567 3.779 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001358939426 1067621257 /nfs/dbraw/zinc/62/12/57/1067621257.db2.gz WQVOJMYRBIRROS-QUCCMNQESA-N 1 0 395.551 3.589 20 30 GHEDRO C#CCN(C)c1nnc(CC2CCCC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001358951718 1067628343 /nfs/dbraw/zinc/62/83/43/1067628343.db2.gz JBVHEQVXVZZVEP-UHFFFAOYSA-N 1 0 391.563 3.724 20 30 GHEDRO C#CCN(C)c1nnc(CCCc2ccccc2)n1CCC1CC[NH+](CC)CC1 ZINC001358951977 1067628396 /nfs/dbraw/zinc/62/83/96/1067628396.db2.gz SXCMQRHCWZWGJA-UHFFFAOYSA-N 1 0 393.579 3.645 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001358994242 1067639772 /nfs/dbraw/zinc/63/97/72/1067639772.db2.gz IIUCQLNLKMPDHI-FQEVSTJZSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001359008399 1067650331 /nfs/dbraw/zinc/65/03/31/1067650331.db2.gz OCPSVZYGPVBHDY-QFIPXVFZSA-N 1 0 391.563 3.916 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359016399 1067655337 /nfs/dbraw/zinc/65/53/37/1067655337.db2.gz BAIXSTWZMDXZIF-NRFANRHFSA-N 1 0 397.542 3.596 20 30 GHEDRO C=C(Br)Cn1c(C2CC2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359083002 1067677114 /nfs/dbraw/zinc/67/71/14/1067677114.db2.gz ZQZDAAAQIPEHIQ-UHFFFAOYSA-N 1 0 394.361 3.519 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001359108702 1067687217 /nfs/dbraw/zinc/68/72/17/1067687217.db2.gz ZHANFUOZVRSFSV-GOSISDBHSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359108266 1067687690 /nfs/dbraw/zinc/68/76/90/1067687690.db2.gz HJEKPWZIASSRTR-SFHVURJKSA-N 1 0 395.551 3.840 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359115126 1067693450 /nfs/dbraw/zinc/69/34/50/1067693450.db2.gz LJYJBFWADLBSCE-NRFANRHFSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001359114873 1067693491 /nfs/dbraw/zinc/69/34/91/1067693491.db2.gz CBLWZLVJCKZZGW-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001359120369 1067696846 /nfs/dbraw/zinc/69/68/46/1067696846.db2.gz CPYXOWFINUPFFQ-LJQANCHMSA-N 1 0 390.535 3.570 20 30 GHEDRO C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359126284 1067698615 /nfs/dbraw/zinc/69/86/15/1067698615.db2.gz LFVGKLMMBGHLTD-SFHVURJKSA-N 1 0 377.577 3.695 20 30 GHEDRO C=C(Cn1c(COCC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001359140799 1067705525 /nfs/dbraw/zinc/70/55/25/1067705525.db2.gz MQSVVQNDXIZONV-NRFANRHFSA-N 1 0 395.551 3.593 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359153132 1067712930 /nfs/dbraw/zinc/71/29/30/1067712930.db2.gz UPRZWTURMTVXCG-UHFFFAOYSA-N 1 0 391.922 3.681 20 30 GHEDRO C=C1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001359166182 1067720008 /nfs/dbraw/zinc/72/00/08/1067720008.db2.gz IWUYNRAZCLOMET-OALUTQOASA-N 1 0 389.588 3.521 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccncc3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359167167 1067721257 /nfs/dbraw/zinc/72/12/57/1067721257.db2.gz VYQANVCRLRRAFI-UHFFFAOYSA-N 1 0 382.556 3.539 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001359177671 1067736885 /nfs/dbraw/zinc/73/68/85/1067736885.db2.gz XFLIOQAKSKBVGX-UHFFFAOYSA-N 1 0 390.535 3.786 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCc2ccc(C#N)cc2F)CCC1 ZINC001477802423 1078573996 /nfs/dbraw/zinc/57/39/96/1078573996.db2.gz RCFXUYTTXBVAJL-UHFFFAOYSA-N 1 0 380.467 3.551 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001468606427 1067788582 /nfs/dbraw/zinc/78/85/82/1067788582.db2.gz RPMMDHIBABIAJJ-IHPCNDPISA-N 1 0 391.943 3.585 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cccc(Cl)c3C)CC2)CC1 ZINC001468640643 1067802447 /nfs/dbraw/zinc/80/24/47/1067802447.db2.gz ULAQTOOCTPCPIG-UHFFFAOYSA-N 1 0 390.959 3.521 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359239868 1067848392 /nfs/dbraw/zinc/84/83/92/1067848392.db2.gz ZFVVFSODKIKHNN-UYAOXDASSA-N 1 0 397.567 3.924 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359241768 1067851908 /nfs/dbraw/zinc/85/19/08/1067851908.db2.gz CKWZXWSGEWENIE-GOSISDBHSA-N 1 0 385.531 3.752 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001468849545 1067909486 /nfs/dbraw/zinc/90/94/86/1067909486.db2.gz ZCABPWZNVSQENZ-UHFFFAOYSA-N 1 0 397.563 3.741 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359277513 1067947577 /nfs/dbraw/zinc/94/75/77/1067947577.db2.gz NYNYQHGIORYFOM-OALUTQOASA-N 1 0 385.556 3.789 20 30 GHEDRO C=CCSCCn1c(CC2CCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359344511 1068039826 /nfs/dbraw/zinc/03/98/26/1068039826.db2.gz AHLUFLDSLKCFKQ-UHFFFAOYSA-N 1 0 391.629 3.897 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001359472889 1068068871 /nfs/dbraw/zinc/06/88/71/1068068871.db2.gz SKOMEYGIGNVSGS-OXJNMPFZSA-N 1 0 398.530 3.974 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)Cn1c(CC2CC2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 ZINC001359475143 1068070095 /nfs/dbraw/zinc/07/00/95/1068070095.db2.gz DNPGRXJWENDKEV-QZTJIDSGSA-N 1 0 394.567 3.956 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001359476177 1068071340 /nfs/dbraw/zinc/07/13/40/1068071340.db2.gz YODJYFKXAGTESJ-LPHOPBHVSA-N 1 0 398.580 3.543 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001360544988 1068551475 /nfs/dbraw/zinc/55/14/75/1068551475.db2.gz UVJOPCXNBCBODD-YWZLYKJASA-N 1 0 386.931 3.679 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001478173547 1078751794 /nfs/dbraw/zinc/75/17/94/1078751794.db2.gz GMLSYLRNRWZSMX-GHTZIAJQSA-N 1 0 379.504 3.714 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001478173548 1078751972 /nfs/dbraw/zinc/75/19/72/1078751972.db2.gz GMLSYLRNRWZSMX-NQIIRXRSSA-N 1 0 379.504 3.714 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(CCC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC001470202161 1068622964 /nfs/dbraw/zinc/62/29/64/1068622964.db2.gz ZQMMOUZPWCKSSF-UXHICEINSA-N 1 0 393.959 3.927 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCOc2ccc(C#N)cc2)C12CCC2 ZINC001460484629 1068976653 /nfs/dbraw/zinc/97/66/53/1068976653.db2.gz NFIDIUJGIIHGOT-LJQANCHMSA-N 1 0 385.508 3.849 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC001460528369 1068989141 /nfs/dbraw/zinc/98/91/41/1068989141.db2.gz YOKFVTRAQNWJRR-BEFAXECRSA-N 1 0 382.895 3.749 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001460658956 1069064928 /nfs/dbraw/zinc/06/49/28/1069064928.db2.gz RKDVIHGIAPFXET-UXPWSPDFSA-N 1 0 394.519 3.800 20 30 GHEDRO C#CCNC(=O)CC[N@@H+](C)[C@H](c1ccccc1)c1ccccc1Br ZINC001460736122 1069143358 /nfs/dbraw/zinc/14/33/58/1069143358.db2.gz ZFABWCWGVHYBKL-HXUWFJFHSA-N 1 0 385.305 3.610 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H]([C@@H]4CCCO4)C3)sc2C1 ZINC001460750872 1069155722 /nfs/dbraw/zinc/15/57/22/1069155722.db2.gz RQOJSFWUGSVEMA-VKJFTORMSA-N 1 0 387.549 3.574 20 30 GHEDRO C=CC(C)(C)CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001470904107 1072803422 /nfs/dbraw/zinc/80/34/22/1072803422.db2.gz IWDDILTXCINPRS-UXHICEINSA-N 1 0 378.605 3.567 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)NCCC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001470949347 1072840016 /nfs/dbraw/zinc/84/00/16/1072840016.db2.gz BSMBFPXLICISMO-UHFFFAOYSA-N 1 0 388.515 3.886 20 30 GHEDRO C#CC[C@H](CCOC)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001470959144 1072847133 /nfs/dbraw/zinc/84/71/33/1072847133.db2.gz IGWFYENIQFQKLC-OAQYLSRUSA-N 1 0 385.552 3.549 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC001478822745 1078995837 /nfs/dbraw/zinc/99/58/37/1078995837.db2.gz CZVJGLVJTRVBRD-NRFANRHFSA-N 1 0 382.483 3.970 20 30 GHEDRO C[NH+]1CCC(CNC(=O)NC2(c3cccc(C#N)c3)CC2)(c2ccccc2)CC1 ZINC001471152305 1072943530 /nfs/dbraw/zinc/94/35/30/1072943530.db2.gz QEQIQZOJMPFACH-UHFFFAOYSA-N 1 0 388.515 3.510 20 30 GHEDRO C#CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CCCc2ccccc21 ZINC001472071167 1073324696 /nfs/dbraw/zinc/32/46/96/1073324696.db2.gz SZBSLWUNMDVSSS-QFIPXVFZSA-N 1 0 380.532 3.561 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc1 ZINC001473396461 1073948452 /nfs/dbraw/zinc/94/84/52/1073948452.db2.gz WUDREJIZMPWEPR-FQEVSTJZSA-N 1 0 386.499 3.758 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccccc2F)c1 ZINC001473581063 1074029100 /nfs/dbraw/zinc/02/91/00/1074029100.db2.gz GWTCNOWGKOSQGN-HSZRJFAPSA-N 1 0 393.462 3.552 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)OCC34CCC4)sc2C1 ZINC001473611776 1074047718 /nfs/dbraw/zinc/04/77/18/1074047718.db2.gz XMZBMOAXVPBNNC-HUUCEWRRSA-N 1 0 387.549 3.717 20 30 GHEDRO CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001473645504 1074064344 /nfs/dbraw/zinc/06/43/44/1074064344.db2.gz LWRLEPVMQADXAH-XXBNENTESA-N 1 0 390.531 3.728 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC001473679425 1074081974 /nfs/dbraw/zinc/08/19/74/1074081974.db2.gz QYPZQMOEPKDPPE-REWPJTCUSA-N 1 0 390.531 3.841 20 30 GHEDRO CCOC(=O)c1sc(CC2CC[NH+](CCc3ccc(C#N)cc3)CC2)nc1C ZINC001473757373 1074126116 /nfs/dbraw/zinc/12/61/16/1074126116.db2.gz BBRBOVJEPVMUNO-UHFFFAOYSA-N 1 0 397.544 3.997 20 30 GHEDRO Cc1ccnc(-c2noc(CC3CC[NH+](Cc4ccc(C#N)s4)CC3)n2)c1 ZINC001473760583 1074127805 /nfs/dbraw/zinc/12/78/05/1074127805.db2.gz JHXBNMFLQWOHGJ-UHFFFAOYSA-N 1 0 379.489 3.828 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1 ZINC001473842406 1074170316 /nfs/dbraw/zinc/17/03/16/1074170316.db2.gz OWXJCJQFYULCCG-MSOLQXFVSA-N 1 0 377.488 3.916 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC001473920227 1074204208 /nfs/dbraw/zinc/20/42/08/1074204208.db2.gz MDUHFAJAQSADFA-HZPDHXFCSA-N 1 0 382.932 3.502 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001546228531 1079242502 /nfs/dbraw/zinc/24/25/02/1079242502.db2.gz DUXWSHGVRLJSNG-OAHLLOKOSA-N 1 0 387.268 3.537 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001474334467 1074348909 /nfs/dbraw/zinc/34/89/09/1074348909.db2.gz PXTLVIDWTNDTQT-VQIMIIECSA-N 1 0 386.540 3.892 20 30 GHEDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001474527735 1074450523 /nfs/dbraw/zinc/45/05/23/1074450523.db2.gz QZGBMINLTSGEEX-HXUWFJFHSA-N 1 0 399.542 3.913 20 30 GHEDRO C#CCN(C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001474553255 1074461359 /nfs/dbraw/zinc/46/13/59/1074461359.db2.gz YOIXSXKHZILHSU-CYBMUJFWSA-N 1 0 389.849 3.621 20 30 GHEDRO C[C@H](Cn1c(N(CCC#N)CC2CC2)nnc1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493712605 1079288820 /nfs/dbraw/zinc/28/88/20/1079288820.db2.gz JMEUSKLCTHEVBB-QZTJIDSGSA-N 1 0 386.588 3.826 20 30 GHEDRO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2C#N)[NH+](CC)CC)cc1 ZINC001475346361 1074842215 /nfs/dbraw/zinc/84/22/15/1074842215.db2.gz YNCQCGVUBQITCL-OAQYLSRUSA-N 1 0 399.560 3.791 20 30 GHEDRO CN(C)Cc1nc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)co1 ZINC001476141732 1075093632 /nfs/dbraw/zinc/09/36/32/1075093632.db2.gz IYBUCTXMSBTOAP-UHFFFAOYSA-N 1 0 391.431 3.722 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@H]2C1 ZINC001476142151 1075093804 /nfs/dbraw/zinc/09/38/04/1075093804.db2.gz VICNDHYEDHDUBV-NDXORKPFSA-N 1 0 376.460 3.812 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001495091229 1079382560 /nfs/dbraw/zinc/38/25/60/1079382560.db2.gz ZOSIKTNGYHMYQQ-FHWLQOOXSA-N 1 0 394.567 3.834 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)CC#N ZINC001500530746 1079607336 /nfs/dbraw/zinc/60/73/36/1079607336.db2.gz HIBDJGAONBXLGE-RTBURBONSA-N 1 0 395.555 3.733 20 30 GHEDRO C=CC[NH+](CC=C)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000735418413 599206993 /nfs/dbraw/zinc/20/69/93/599206993.db2.gz DEABQFODKXRQPM-UHFFFAOYSA-N 1 0 391.475 3.628 20 30 GHEDRO Clc1cc(-c2nn[nH]n2)cc(N=NC2CCCC[C@@H]2[NH+]2CCCCCC2)n1 ZINC000826349952 608535943 /nfs/dbraw/zinc/53/59/43/608535943.db2.gz BABKFGYZUHQFSC-HNNXBMFYSA-N 1 0 388.907 3.502 20 30 GHEDRO C=CCOc1ccc(C[N@H+](CC=C)Cc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000823931717 608633270 /nfs/dbraw/zinc/63/32/70/608633270.db2.gz DLXPBUKUADBHCH-UHFFFAOYSA-N 1 0 391.475 3.628 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424876 718939739 /nfs/dbraw/zinc/93/97/39/718939739.db2.gz QWOYFCVJLMIEFQ-UKRRQHHQSA-N 1 0 395.240 3.881 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164725326 720478962 /nfs/dbraw/zinc/47/89/62/720478962.db2.gz JOZSJZISEVZPCG-LEWJYISDSA-N 1 0 387.531 3.815 20 30 GHEDRO Cc1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1C#N ZINC001164842724 720687754 /nfs/dbraw/zinc/68/77/54/720687754.db2.gz MZFVDGARPFNLAZ-FQEVSTJZSA-N 1 0 376.504 3.522 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CC[NH+](C3CCCC3)CC2)c1C#N ZINC001165028643 721857736 /nfs/dbraw/zinc/85/77/36/721857736.db2.gz OGJDAIRUSLLEMW-UHFFFAOYSA-N 1 0 379.533 3.802 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000255077489 837581175 /nfs/dbraw/zinc/58/11/75/837581175.db2.gz INWAVCDDZQAJJV-UHFFFAOYSA-N 1 0 375.856 3.513 20 30 GHEDRO CC(C)c1cccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000115433992 837586399 /nfs/dbraw/zinc/58/63/99/837586399.db2.gz UAKASIXVGSWYFM-UHFFFAOYSA-N 1 0 390.531 3.828 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000608861134 837610256 /nfs/dbraw/zinc/61/02/56/837610256.db2.gz VUEWGODXAYAUCW-QHCPKHFHSA-N 1 0 391.515 3.692 20 30 GHEDRO N#Cc1cccc(Cl)c1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000581829425 837712680 /nfs/dbraw/zinc/71/26/80/837712680.db2.gz RUWONOWGHQWIQF-HXUWFJFHSA-N 1 0 380.923 3.608 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000180955526 837739588 /nfs/dbraw/zinc/73/95/88/837739588.db2.gz WVVFFHUGYIJYRR-LBPRGKRZSA-N 1 0 395.381 3.999 20 30 GHEDRO CCCCCNC(=O)C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000180968465 837748855 /nfs/dbraw/zinc/74/88/55/837748855.db2.gz NPQFSYPEFKMNON-UHFFFAOYSA-N 1 0 392.341 3.839 20 30 GHEDRO CC[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)Cc1cccc(Br)c1 ZINC000583500230 834517023 /nfs/dbraw/zinc/51/70/23/834517023.db2.gz QMUTYXLQNYEQTP-AWEZNQCLSA-N 1 0 398.308 3.722 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC[C@@H]2CCOC2)c1 ZINC000136525393 834539513 /nfs/dbraw/zinc/53/95/13/834539513.db2.gz GHZCOHRPNMKDAW-HNNXBMFYSA-O 1 0 389.928 3.501 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000128187284 834574580 /nfs/dbraw/zinc/57/45/80/834574580.db2.gz HHXZBVAMCFOWNM-CYBMUJFWSA-N 1 0 382.407 3.702 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2cccn2C)c(OC)c1 ZINC000245410225 834576784 /nfs/dbraw/zinc/57/67/84/834576784.db2.gz PYXBKRFUPRUXST-CTNGQTDRSA-N 1 0 384.520 3.729 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)NCCSCc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000179095298 834619359 /nfs/dbraw/zinc/61/93/59/834619359.db2.gz GXNFGILSBSCILE-SFTDATJTSA-N 1 0 394.544 3.536 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583554952 834632350 /nfs/dbraw/zinc/63/23/50/834632350.db2.gz BJQSDRYWMFEIHL-XWFZLUIHSA-N 1 0 380.536 3.888 20 30 GHEDRO O=C(CNC(=O)c1cccc(F)c1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000329262405 834670625 /nfs/dbraw/zinc/67/06/25/834670625.db2.gz ZKRKWSSXHQQHME-UHFFFAOYSA-N 1 0 393.528 3.839 20 30 GHEDRO CC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1cccc(F)c1 ZINC000278776241 834884230 /nfs/dbraw/zinc/88/42/30/834884230.db2.gz YRERXPJLAZLEAP-HXUWFJFHSA-N 1 0 393.466 3.945 20 30 GHEDRO CCOc1cc(Cl)ccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262764858 834950864 /nfs/dbraw/zinc/95/08/64/834950864.db2.gz FVCGYROSJNCTFS-UHFFFAOYSA-N 1 0 375.856 3.827 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000187118488 835017567 /nfs/dbraw/zinc/01/75/67/835017567.db2.gz YKLMAIINWQFRKC-GOSISDBHSA-N 1 0 390.409 3.679 20 30 GHEDRO COc1cccc(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2Br)c1 ZINC000304750164 835059305 /nfs/dbraw/zinc/05/93/05/835059305.db2.gz WWVKBPHGNRKSID-GFCCVEGCSA-N 1 0 378.270 3.652 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1Oc1ccccc1 ZINC000579818694 835083135 /nfs/dbraw/zinc/08/31/35/835083135.db2.gz QPXSPTKCYDLLPM-SMIHKQSGSA-N 1 0 391.515 3.742 20 30 GHEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000610215568 835175183 /nfs/dbraw/zinc/17/51/83/835175183.db2.gz AEFMHKBITTYHOF-AWEZNQCLSA-N 1 0 398.334 3.845 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000052712507 835305879 /nfs/dbraw/zinc/30/58/79/835305879.db2.gz LTQPFDYBQRSWIK-INIZCTEOSA-N 1 0 385.489 3.500 20 30 GHEDRO C=CCN1C(=O)N([C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431621139 835312633 /nfs/dbraw/zinc/31/26/33/835312633.db2.gz BWUIHNXYTZYPSO-CBQOVEMMSA-N 1 0 395.547 3.701 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000147122993 835422385 /nfs/dbraw/zinc/42/23/85/835422385.db2.gz ZWKOFAXGRQNEMI-INIZCTEOSA-N 1 0 382.460 4.000 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433365923 844054511 /nfs/dbraw/zinc/05/45/11/844054511.db2.gz QVZKTVJYNGTTIT-GOTSBHOMSA-N 1 0 375.516 3.739 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278595182 835510492 /nfs/dbraw/zinc/51/04/92/835510492.db2.gz HJXWASSOUSGCQQ-LJQANCHMSA-N 1 0 394.567 3.849 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)[NH+]1CCCCC1 ZINC000612132862 835582845 /nfs/dbraw/zinc/58/28/45/835582845.db2.gz LXWFFUJDARZXJT-UGKGYDQZSA-N 1 0 384.524 3.557 20 30 GHEDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1=O ZINC000584231331 835782891 /nfs/dbraw/zinc/78/28/91/835782891.db2.gz NWRFDFNJHLQAJF-NRFANRHFSA-N 1 0 377.488 3.626 20 30 GHEDRO CC(C)c1nc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cs1 ZINC000278699881 835826053 /nfs/dbraw/zinc/82/60/53/835826053.db2.gz QSPNPLDQYWWSIX-UHFFFAOYSA-N 1 0 380.521 3.771 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262377379 835856720 /nfs/dbraw/zinc/85/67/20/835856720.db2.gz JTUNLJXAMLEYLC-IPMKNSEASA-N 1 0 382.508 3.600 20 30 GHEDRO Cc1csc(CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000278715395 835860733 /nfs/dbraw/zinc/86/07/33/835860733.db2.gz SFVLQUPACZUKBX-UHFFFAOYSA-N 1 0 380.521 3.736 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+]1CCC[C@H](C)C1 ZINC000102751315 835865781 /nfs/dbraw/zinc/86/57/81/835865781.db2.gz BIPNPEZUWAJRQH-IRXDYDNUSA-N 1 0 381.476 3.580 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccc(F)cc2)cc1 ZINC000728928861 844102256 /nfs/dbraw/zinc/10/22/56/844102256.db2.gz KEXUKNXWEDRLAL-UHFFFAOYSA-N 1 0 383.467 3.996 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480622269 836043428 /nfs/dbraw/zinc/04/34/28/836043428.db2.gz LMTPRZNMTFIXRI-CVDCTZTESA-N 1 0 395.572 3.843 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cccc(CC#N)c2)CC1 ZINC000471236266 836129280 /nfs/dbraw/zinc/12/92/80/836129280.db2.gz VGFBJNZHQLGKBO-UHFFFAOYSA-N 1 0 376.504 3.783 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000473278387 844142417 /nfs/dbraw/zinc/14/24/17/844142417.db2.gz XZUFNJXVUBTKQX-UHFFFAOYSA-N 1 0 397.910 3.637 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1OC ZINC000628257245 836241654 /nfs/dbraw/zinc/24/16/54/836241654.db2.gz FXNAZNQPRODEBO-QRWLVFNGSA-N 1 0 381.900 3.683 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2F)on1 ZINC000065930747 836253962 /nfs/dbraw/zinc/25/39/62/836253962.db2.gz GXXUNXLNFRPYCB-UHFFFAOYSA-N 1 0 392.434 3.556 20 30 GHEDRO C[C@@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)[N@@H+]1CCc2ccccc2C1 ZINC000610245925 836267139 /nfs/dbraw/zinc/26/71/39/836267139.db2.gz WMXJRDLMWUFPDB-AWEZNQCLSA-N 1 0 378.426 3.665 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccc(C#N)cc1 ZINC000548932223 836281118 /nfs/dbraw/zinc/28/11/18/836281118.db2.gz WESTUMVUYKQCDI-HNNXBMFYSA-N 1 0 393.878 3.746 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(CNc3nc(C(C)(C)C)ccc3C#N)cc2)CC1 ZINC000613411807 836319836 /nfs/dbraw/zinc/31/98/36/836319836.db2.gz PPHBKFAWAITZPF-UHFFFAOYSA-N 1 0 377.536 3.610 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000174152679 836387959 /nfs/dbraw/zinc/38/79/59/836387959.db2.gz ZXBDBEWBJGODJW-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2CC[C@]23CC[NH2+]C3)c(Br)c1 ZINC001218113506 836420262 /nfs/dbraw/zinc/42/02/62/836420262.db2.gz AKGSXUCXCWXWFF-TZMCWYRMSA-N 1 0 386.087 3.604 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179943685 836436257 /nfs/dbraw/zinc/43/62/57/836436257.db2.gz WEIFOQRHDXFVLH-UHFFFAOYSA-N 1 0 397.482 3.874 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001209442174 836571625 /nfs/dbraw/zinc/57/16/25/836571625.db2.gz VJDQJZWTCUGYGC-WWNPGLIZSA-N 1 0 399.579 3.746 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000255872188 836803959 /nfs/dbraw/zinc/80/39/59/836803959.db2.gz CARLLAJTBBPQFC-AHLOAVPJSA-N 1 0 387.430 3.741 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC001218245529 836961795 /nfs/dbraw/zinc/96/17/95/836961795.db2.gz GRQUDLPXGFWJDL-BREBYQMCSA-N 1 0 386.087 3.603 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CCc2ccccc2F)[C@@H](C)CC)c1 ZINC001167244674 837016791 /nfs/dbraw/zinc/01/67/91/837016791.db2.gz XXJCYFWMHHLUHM-KRWDZBQOSA-N 1 0 395.478 3.798 20 30 GHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)c1C ZINC000027329987 837044132 /nfs/dbraw/zinc/04/41/32/837044132.db2.gz QETOUBMWKVEDSS-UHFFFAOYSA-O 1 0 398.552 3.983 20 30 GHEDRO CC[C@H](NC(=O)Nc1cccc(C#N)c1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000431717916 837095030 /nfs/dbraw/zinc/09/50/30/837095030.db2.gz HNQKSHMYLCYEPD-RBBKRZOGSA-N 1 0 392.503 3.668 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176109340 837167803 /nfs/dbraw/zinc/16/78/03/837167803.db2.gz RLWJASCJBRHZBG-XLIONFOSSA-N 1 0 379.529 3.820 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)C[NH2+]C(C)C)c1ccc2c(c1)OCCO2 ZINC000589031695 837292157 /nfs/dbraw/zinc/29/21/57/837292157.db2.gz YOVKENIKGCZMCK-UHFFFAOYSA-N 1 0 396.487 3.554 20 30 GHEDRO COC(=O)[C@@H]1[C@H](C[NH2+]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1(F)F ZINC000894164942 844260788 /nfs/dbraw/zinc/26/07/88/844260788.db2.gz LKRDJPMRAKZFBH-YIKMNZTOSA-N 1 0 383.279 3.540 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1OCC ZINC000647533391 837346885 /nfs/dbraw/zinc/34/68/85/837346885.db2.gz QWJCUWYVXWWXNH-DOTOQJQBSA-N 1 0 395.341 3.596 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000613179174 837371394 /nfs/dbraw/zinc/37/13/94/837371394.db2.gz OQERLCLDWHVSSJ-IRLDBZIGSA-N 1 0 390.531 3.898 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C#N)c1C ZINC000118832925 837872665 /nfs/dbraw/zinc/87/26/65/837872665.db2.gz SUTUELBYXYNOFW-IEBWSBKVSA-N 1 0 386.540 3.539 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000177478202 837962344 /nfs/dbraw/zinc/96/23/44/837962344.db2.gz SQCHSODYHZSNOI-SFTDATJTSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)cc1 ZINC000728711669 837974707 /nfs/dbraw/zinc/97/47/07/837974707.db2.gz NCNCWYOZONQJJS-QGZVFWFLSA-N 1 0 386.455 3.915 20 30 GHEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330153200 838007287 /nfs/dbraw/zinc/00/72/87/838007287.db2.gz XBOCNRNRNYNFJF-UGKGYDQZSA-N 1 0 394.519 3.842 20 30 GHEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 ZINC000415703205 838015124 /nfs/dbraw/zinc/01/51/24/838015124.db2.gz QGKRAKSIYUOSRJ-WBVHZDCISA-N 1 0 394.523 3.633 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000415806590 838123296 /nfs/dbraw/zinc/12/32/96/838123296.db2.gz PEKRGHGACHEMNA-DOMZBBRYSA-N 1 0 382.302 3.748 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)CC1 ZINC000510301077 838130184 /nfs/dbraw/zinc/13/01/84/838130184.db2.gz XQNYHOMLGZXNQH-UHFFFAOYSA-N 1 0 381.442 3.686 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000188522367 838147254 /nfs/dbraw/zinc/14/72/54/838147254.db2.gz VDDYXUXBIIGKLI-OAQYLSRUSA-N 1 0 377.504 3.523 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(F)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000189241122 838249156 /nfs/dbraw/zinc/24/91/56/838249156.db2.gz QNJVQMHIUQICBM-QGZVFWFLSA-N 1 0 379.357 3.749 20 30 GHEDRO C[NH2+]Cc1cccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000415914521 838264531 /nfs/dbraw/zinc/26/45/31/838264531.db2.gz AUMOEQRAKHPWLX-UHFFFAOYSA-N 1 0 378.476 3.789 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728268358 838343350 /nfs/dbraw/zinc/34/33/50/838343350.db2.gz YGZOZJHBWKBYDZ-SJLPKXTDSA-N 1 0 378.520 3.816 20 30 GHEDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728268356 838348183 /nfs/dbraw/zinc/34/81/83/838348183.db2.gz YGZOZJHBWKBYDZ-AEFFLSMTSA-N 1 0 378.520 3.816 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000378062987 838356343 /nfs/dbraw/zinc/35/63/43/838356343.db2.gz VOTLJOXYNFDUMM-VGSWGCGISA-N 1 0 377.488 3.588 20 30 GHEDRO COc1cc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)ccc1F ZINC000549810428 844320516 /nfs/dbraw/zinc/32/05/16/844320516.db2.gz MNHPHMAEVVSLDB-UHFFFAOYSA-N 1 0 383.467 3.839 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000178618307 838426529 /nfs/dbraw/zinc/42/65/29/838426529.db2.gz LWKRALFZXLOZII-HSZRJFAPSA-N 1 0 390.531 3.992 20 30 GHEDRO COCCOCc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000584556439 838470735 /nfs/dbraw/zinc/47/07/35/838470735.db2.gz FKILKWGJSJBRSK-UHFFFAOYSA-N 1 0 380.488 3.765 20 30 GHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000188064631 838513171 /nfs/dbraw/zinc/51/31/71/838513171.db2.gz NFLBRYZGSVTQDA-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC000659586734 838520501 /nfs/dbraw/zinc/52/05/01/838520501.db2.gz DEBQMNPEFMHAPZ-VXKWHMMOSA-N 1 0 397.519 3.564 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000175862854 838603211 /nfs/dbraw/zinc/60/32/11/838603211.db2.gz IDICQNBNEHVZDX-MOPGFXCFSA-N 1 0 383.517 3.927 20 30 GHEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cc(C#N)cs1)C(C)C ZINC000414549960 838620141 /nfs/dbraw/zinc/62/01/41/838620141.db2.gz ILCACXJFQCDZAU-INIZCTEOSA-N 1 0 376.547 3.992 20 30 GHEDRO C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000610353043 838638202 /nfs/dbraw/zinc/63/82/02/838638202.db2.gz SQSYUHJEKHBRTF-LADGPHEKSA-N 1 0 388.515 3.506 20 30 GHEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)c1 ZINC000118867921 838745258 /nfs/dbraw/zinc/74/52/58/838745258.db2.gz WEMRDOZWDHIYFF-QFIPXVFZSA-N 1 0 376.504 3.836 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2oc3ccc(F)cc3c2C)=[NH+]C)C1 ZINC000261752229 844364429 /nfs/dbraw/zinc/36/44/29/844364429.db2.gz NNOQPUYLSQPNCK-JQQNFUDXSA-N 1 0 393.528 3.625 20 30 GHEDRO CC(C)(C)OC(=O)NCCN1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000893195053 838783889 /nfs/dbraw/zinc/78/38/89/838783889.db2.gz QWFRJSRCPNSIHQ-HXUWFJFHSA-N 1 0 386.540 3.610 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCN(C)c2ccccc2)cc1 ZINC001167350185 838816016 /nfs/dbraw/zinc/81/60/16/838816016.db2.gz FVHRRFBXAHFKJF-HXUWFJFHSA-N 1 0 378.520 3.698 20 30 GHEDRO CC[NH+]1CCC(NC(=O)CCCCOc2cccc(C#N)c2)(C(F)(F)F)CC1 ZINC000891208255 838820233 /nfs/dbraw/zinc/82/02/33/838820233.db2.gz SPNBYKASHQMZHC-UHFFFAOYSA-N 1 0 397.441 3.640 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CC2(C#N)CC2)CC1 ZINC000590401036 838975634 /nfs/dbraw/zinc/97/56/34/838975634.db2.gz PYFUANGDHFUHCX-UHFFFAOYSA-N 1 0 390.325 3.566 20 30 GHEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000414943182 839001354 /nfs/dbraw/zinc/00/13/54/839001354.db2.gz LQTDFENKDBHWPM-MGPUTAFESA-N 1 0 391.475 3.544 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C#N)c(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000134165870 839093305 /nfs/dbraw/zinc/09/33/05/839093305.db2.gz OBPFAUPTVUFGQO-RTWAWAEBSA-N 1 0 395.890 3.928 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(F)c2c1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167371147 839118842 /nfs/dbraw/zinc/11/88/42/839118842.db2.gz QPYNNEBXBVQXPJ-UHFFFAOYSA-N 1 0 396.853 3.633 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000415075597 839164589 /nfs/dbraw/zinc/16/45/89/839164589.db2.gz BSQOMUSSNUJJSY-MRXNPFEDSA-N 1 0 394.475 3.870 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000548079611 839306693 /nfs/dbraw/zinc/30/66/93/839306693.db2.gz NHJZWUFZSHDBDP-HSZRJFAPSA-N 1 0 390.531 3.551 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl ZINC000119035410 839357441 /nfs/dbraw/zinc/35/74/41/839357441.db2.gz YOPVZIHJZLBQLE-UHFFFAOYSA-N 1 0 398.894 3.536 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000614400820 844430558 /nfs/dbraw/zinc/43/05/58/844430558.db2.gz HJYOVHNTWSYLLN-KRWDZBQOSA-N 1 0 378.394 3.757 20 30 GHEDRO C=C[C@](C)(O)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000548086237 839416551 /nfs/dbraw/zinc/41/65/51/839416551.db2.gz WSBNHDNPXBFCEN-IBGZPJMESA-N 1 0 385.335 3.745 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1C#N ZINC000415304812 839562234 /nfs/dbraw/zinc/56/22/34/839562234.db2.gz ICQTVQKDPNKEDI-UXHICEINSA-N 1 0 396.466 3.833 20 30 GHEDRO C=C(C)Cn1c(C(C)C)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549251780 839590329 /nfs/dbraw/zinc/59/03/29/839590329.db2.gz AWVMHGSFXJAGDY-KDURUIRLSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000415383229 839683633 /nfs/dbraw/zinc/68/36/33/839683633.db2.gz BKVLNEFZRFWVPN-NRFANRHFSA-N 1 0 395.503 3.520 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000610445851 839735673 /nfs/dbraw/zinc/73/56/73/839735673.db2.gz AWUHKMUIQLSHLB-NHCUHLMSSA-N 1 0 396.922 3.600 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000549297139 839895755 /nfs/dbraw/zinc/89/57/55/839895755.db2.gz OVSGUHJLHXSNHK-UHFFFAOYSA-N 1 0 392.551 3.635 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000328749425 840076392 /nfs/dbraw/zinc/07/63/92/840076392.db2.gz QWKIZHMNVPCYGG-BURNTYAHSA-N 1 0 397.563 3.748 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC(C[NH+]4CCCCC4)CC3)c2c1 ZINC000580791282 840190544 /nfs/dbraw/zinc/19/05/44/840190544.db2.gz ZMNFKLYFSFERHN-UHFFFAOYSA-N 1 0 394.519 3.826 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000416860221 840227469 /nfs/dbraw/zinc/22/74/69/840227469.db2.gz CCCKOJZYMYRVAE-HXUWFJFHSA-N 1 0 382.533 3.571 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000185571966 840240834 /nfs/dbraw/zinc/24/08/34/840240834.db2.gz GZABSKUUUSLYGQ-UHFFFAOYSA-O 1 0 378.521 3.858 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc3[nH]c(-c4cccs4)nc32)CC1 ZINC000759872500 840273623 /nfs/dbraw/zinc/27/36/23/840273623.db2.gz LBFJZZZCLMZJPV-UHFFFAOYSA-N 1 0 378.501 3.509 20 30 GHEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000160658486 840312150 /nfs/dbraw/zinc/31/21/50/840312150.db2.gz DFGWVWDCXHRVIY-HNNXBMFYSA-N 1 0 384.377 3.754 20 30 GHEDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000276006472 840501090 /nfs/dbraw/zinc/50/10/90/840501090.db2.gz IRRURULRTSTXKK-IAGOWNOFSA-N 1 0 384.549 3.991 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508800086 844548111 /nfs/dbraw/zinc/54/81/11/844548111.db2.gz DMJYYCOTCOMZAS-LJQANCHMSA-N 1 0 392.551 3.635 20 30 GHEDRO N#C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1c(Cl)cccc1Cl ZINC000581020971 840596929 /nfs/dbraw/zinc/59/69/29/840596929.db2.gz PWYXJOQJJWROCX-BBRMVZONSA-N 1 0 398.359 3.892 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662285 840642281 /nfs/dbraw/zinc/64/22/81/840642281.db2.gz LBVMPZSJMMLNGZ-JUXOCIIHSA-N 1 0 383.536 3.731 20 30 GHEDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000512564690 844571148 /nfs/dbraw/zinc/57/11/48/844571148.db2.gz LXKATSWYXVRDOT-OAQYLSRUSA-N 1 0 391.515 3.875 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1c(F)cc(C#N)cc1F ZINC000151074317 844589050 /nfs/dbraw/zinc/58/90/50/844589050.db2.gz YXLYFKSNWKZEED-UHFFFAOYSA-N 1 0 377.460 3.882 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000933129968 841020639 /nfs/dbraw/zinc/02/06/39/841020639.db2.gz OQWKGVYUJXQJOO-KRWDZBQOSA-N 1 0 377.517 3.788 20 30 GHEDRO COc1ccc(CC2(c3nc(-c4cc(C#N)ccc4F)no3)CC[NH2+]CC2)cc1 ZINC001211511647 841024570 /nfs/dbraw/zinc/02/45/70/841024570.db2.gz NDHIUSJTKWRQMF-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000513144907 844608554 /nfs/dbraw/zinc/60/85/54/844608554.db2.gz OSRFVSZOOFEQSZ-OAHLLOKOSA-N 1 0 383.330 3.549 20 30 GHEDRO C=CCC[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000660937333 841284094 /nfs/dbraw/zinc/28/40/94/841284094.db2.gz GUTAEKSBKYHKCG-QFIPXVFZSA-N 1 0 385.552 3.884 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCN(c4ccccn4)C3)c2)c1 ZINC000120637565 844629614 /nfs/dbraw/zinc/62/96/14/844629614.db2.gz RMSVWKXLWZGNEN-JOCHJYFZSA-N 1 0 384.483 3.901 20 30 GHEDRO Cc1ccc(C(=O)C2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000328775590 841336668 /nfs/dbraw/zinc/33/66/68/841336668.db2.gz CJJLVICOSLGGCP-UHFFFAOYSA-N 1 0 383.536 3.678 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1C#N ZINC000135182132 841359053 /nfs/dbraw/zinc/35/90/53/841359053.db2.gz YQBFMVHCLOSRNP-KRWDZBQOSA-N 1 0 396.466 3.740 20 30 GHEDRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000417984772 841362065 /nfs/dbraw/zinc/36/20/65/841362065.db2.gz DPGFUVFNQAPSBP-MJGOQNOKSA-N 1 0 376.504 3.927 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)c1ccccc1 ZINC000684254831 841367291 /nfs/dbraw/zinc/36/72/91/841367291.db2.gz QLOPWOAFTKXAAG-QGZVFWFLSA-N 1 0 384.549 3.856 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C)cc1 ZINC000027311819 841371994 /nfs/dbraw/zinc/37/19/94/841371994.db2.gz ZVKGUHCKMBRGHH-UHFFFAOYSA-O 1 0 384.525 3.535 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000661114124 841407614 /nfs/dbraw/zinc/40/76/14/841407614.db2.gz DPFHBJCQOHVTAL-JSGCOSHPSA-N 1 0 383.418 3.766 20 30 GHEDRO C[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599450473 861200065 /nfs/dbraw/zinc/20/00/65/861200065.db2.gz HGMDZUXHCAPDTN-VQTJNVASSA-N 1 0 376.928 3.808 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650415194 841435356 /nfs/dbraw/zinc/43/53/56/841435356.db2.gz YASBLZWXDDLPQG-YLJYHZDGSA-N 1 0 389.565 3.977 20 30 GHEDRO O=C(Nc1ccnc(OCC(F)(F)F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000329248987 861201595 /nfs/dbraw/zinc/20/15/95/861201595.db2.gz WWQWXPUSZWQMIZ-CJNGLKHVSA-N 1 0 398.429 3.517 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418050547 841441235 /nfs/dbraw/zinc/44/12/35/841441235.db2.gz WLMAHYKXKNGXEP-SWLSCSKDSA-N 1 0 375.225 3.501 20 30 GHEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599430198 861203395 /nfs/dbraw/zinc/20/33/95/861203395.db2.gz PBAPUPKBBRXNET-GMAHTHKFSA-N 1 0 394.515 3.640 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cc1OCCCC#N ZINC000276259094 841501426 /nfs/dbraw/zinc/50/14/26/841501426.db2.gz XOXRPZIHZBNHMH-HXUWFJFHSA-N 1 0 399.535 3.791 20 30 GHEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418145883 841567145 /nfs/dbraw/zinc/56/71/45/841567145.db2.gz ZDHHPTOISHUZGE-UHFFFAOYSA-N 1 0 390.325 3.646 20 30 GHEDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329274008 861230352 /nfs/dbraw/zinc/23/03/52/861230352.db2.gz JEQGUOOYRJRDMQ-WOJBJXKFSA-N 1 0 384.524 3.527 20 30 GHEDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000051133645 841852472 /nfs/dbraw/zinc/85/24/72/841852472.db2.gz KUIQOICEDBEVFA-RBBKRZOGSA-N 1 0 383.536 3.771 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000303449522 841997127 /nfs/dbraw/zinc/99/71/27/841997127.db2.gz HYXYSVACBLUXAI-IBGZPJMESA-N 1 0 383.492 3.789 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000893485382 842022549 /nfs/dbraw/zinc/02/25/49/842022549.db2.gz XAMPQSDJKJKHFY-QFBILLFUSA-N 1 0 382.533 3.814 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@H+](CCCOCCc3ccccc3)CC2)cc1 ZINC000051181018 842068835 /nfs/dbraw/zinc/06/88/35/842068835.db2.gz XIRBKNPWXNUKFY-UHFFFAOYSA-N 1 0 377.532 3.715 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610530946 842070763 /nfs/dbraw/zinc/07/07/63/842070763.db2.gz HYUYOVDAYDGBKP-NPPFBWRTSA-N 1 0 376.504 3.829 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515573 861273567 /nfs/dbraw/zinc/27/35/67/861273567.db2.gz GDUXMVHUAHIXNA-OALUTQOASA-N 1 0 386.442 3.650 20 30 GHEDRO COc1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1SC(F)(F)F ZINC000121455134 842122668 /nfs/dbraw/zinc/12/26/68/842122668.db2.gz GSDPFWLJCGSWAM-UHFFFAOYSA-N 1 0 399.442 3.549 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCc3ccccc32)cc1OCCCC#N ZINC000066906304 842155039 /nfs/dbraw/zinc/15/50/39/842155039.db2.gz NMVJGNGAOSPYJC-QHCPKHFHSA-N 1 0 380.488 3.691 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cnc1N1CCCC[C@H]1C ZINC000329316347 861278640 /nfs/dbraw/zinc/27/86/40/861278640.db2.gz CXQKXEIUPJBHRB-QGZVFWFLSA-N 1 0 385.556 3.969 20 30 GHEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000541637008 842212625 /nfs/dbraw/zinc/21/26/25/842212625.db2.gz MMGCYVRPRYIPJH-GJZGRUSLSA-N 1 0 389.421 3.975 20 30 GHEDRO C=CCOc1cccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000599529308 861293562 /nfs/dbraw/zinc/29/35/62/861293562.db2.gz VQPBEFCFYDIYFY-UHFFFAOYSA-N 1 0 379.504 3.792 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(C#N)c2)C2(CCOCC2)CC1 ZINC000933508202 842303010 /nfs/dbraw/zinc/30/30/10/842303010.db2.gz GFQHOFHRHSPJRU-UHFFFAOYSA-N 1 0 385.508 3.550 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000278959820 842380952 /nfs/dbraw/zinc/38/09/52/842380952.db2.gz ZMJWGWBLWAHBKR-LJQANCHMSA-N 1 0 390.405 3.594 20 30 GHEDRO C=CCn1c(COc2ccccc2F)nnc1SCCC[NH+]1CCCC1 ZINC000188230060 842828763 /nfs/dbraw/zinc/82/87/63/842828763.db2.gz YFLGJCZXTXVGBC-UHFFFAOYSA-N 1 0 376.501 3.760 20 30 GHEDRO CCC[N@H+](Cc1cc(Br)ccc1C#N)C1CCN(C(C)=O)CC1 ZINC001141904908 861350425 /nfs/dbraw/zinc/35/04/25/861350425.db2.gz ISANEWCAMVAZKF-UHFFFAOYSA-N 1 0 378.314 3.544 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1C#N ZINC000028347580 861352571 /nfs/dbraw/zinc/35/25/71/861352571.db2.gz FTAMFYQVRBWDDN-LSDHHAIUSA-N 1 0 376.460 3.585 20 30 GHEDRO O=C(Nc1cccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1)NC1CC1 ZINC000328929082 842902875 /nfs/dbraw/zinc/90/28/75/842902875.db2.gz YHZGHBSYPMRMLP-UHFFFAOYSA-N 1 0 398.551 3.903 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000610577408 842911296 /nfs/dbraw/zinc/91/12/96/842911296.db2.gz HYNWBFDAKYZZKT-QGZVFWFLSA-N 1 0 383.521 3.601 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000568039007 842982816 /nfs/dbraw/zinc/98/28/16/842982816.db2.gz UPICBGJIPSUHPP-SESVDKBCSA-N 1 0 381.907 3.777 20 30 GHEDRO CC(C)c1ccc(C[NH+]2CCN(CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000023229987 843045522 /nfs/dbraw/zinc/04/55/22/843045522.db2.gz VUIQTKLWXJSYNW-UHFFFAOYSA-N 1 0 396.560 3.890 20 30 GHEDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)nnn1-c1ccc(F)c(Cl)c1 ZINC000329405756 861378626 /nfs/dbraw/zinc/37/86/26/861378626.db2.gz XDJWAVHOBMFOLO-CYBMUJFWSA-N 1 0 391.878 3.690 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000279455894 843066771 /nfs/dbraw/zinc/06/67/71/843066771.db2.gz GGWPVTKIDQGSCU-QFIPXVFZSA-N 1 0 378.520 3.819 20 30 GHEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125767065 843075436 /nfs/dbraw/zinc/07/54/36/843075436.db2.gz KGRBXKFLXKZMDX-INIZCTEOSA-N 1 0 383.467 3.747 20 30 GHEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000510628480 843081498 /nfs/dbraw/zinc/08/14/98/843081498.db2.gz IMQFASRQMFRFPV-ZWKOTPCHSA-N 1 0 389.565 3.843 20 30 GHEDRO N#CC1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC2(CC2)C1 ZINC001143523479 843091821 /nfs/dbraw/zinc/09/18/21/843091821.db2.gz WOGPOYUFRRDRDQ-UHFFFAOYSA-N 1 0 394.519 3.914 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512214681 843103223 /nfs/dbraw/zinc/10/32/23/843103223.db2.gz SKNOUNDWTWJKOB-HNNXBMFYSA-N 1 0 398.315 3.968 20 30 GHEDRO O=C(CCNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000329406702 861380515 /nfs/dbraw/zinc/38/05/15/861380515.db2.gz CBBOXZBITVAAIW-NFBKMPQASA-N 1 0 383.536 3.648 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599598141 861383613 /nfs/dbraw/zinc/38/36/13/861383613.db2.gz QWRZNLIQPYXMBZ-QFBILLFUSA-N 1 0 378.476 3.708 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000610584013 843179852 /nfs/dbraw/zinc/17/98/52/843179852.db2.gz TWJHJEZDKHGEEA-CVEARBPZSA-N 1 0 396.413 3.590 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(C#N)ccc1F ZINC000053921536 843323009 /nfs/dbraw/zinc/32/30/09/843323009.db2.gz QXVJPVVLQVIKAG-UHFFFAOYSA-N 1 0 385.512 3.796 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000329426326 861404887 /nfs/dbraw/zinc/40/48/87/861404887.db2.gz ITVRSAMLDOPPSD-AEFFLSMTSA-N 1 0 396.491 3.762 20 30 GHEDRO C[NH+](C)C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000599626785 861413150 /nfs/dbraw/zinc/41/31/50/861413150.db2.gz HBCDZQNXNCEMCR-SFHVURJKSA-N 1 0 391.302 3.696 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)CCC[NH2+]1 ZINC000662548986 843409276 /nfs/dbraw/zinc/40/92/76/843409276.db2.gz MPTSGNNNLJLZAJ-QHCPKHFHSA-N 1 0 375.472 3.526 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[NH2+]1 ZINC000662573592 843415161 /nfs/dbraw/zinc/41/51/61/843415161.db2.gz URQHXTJLNJWFCE-UHFFFAOYSA-N 1 0 386.311 3.800 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2ccccn2)cc1 ZINC000171086777 861423903 /nfs/dbraw/zinc/42/39/03/861423903.db2.gz LCLSWXWCTSJTQB-UHFFFAOYSA-O 1 0 390.532 3.703 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000512356836 843522877 /nfs/dbraw/zinc/52/28/77/843522877.db2.gz CSIDJBJYGBDSSY-UHFFFAOYSA-N 1 0 389.455 3.722 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418669707 843527683 /nfs/dbraw/zinc/52/76/83/843527683.db2.gz JSANUKZLWARETO-HXUWFJFHSA-N 1 0 382.464 3.773 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599651219 861449599 /nfs/dbraw/zinc/44/95/99/861449599.db2.gz DQTSHJYBRKIBMO-IIAWOOMASA-N 1 0 390.325 3.578 20 30 GHEDRO CC[NH+]=C(NCc1nc(C(C)C)cs1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261659026 843755148 /nfs/dbraw/zinc/75/51/48/843755148.db2.gz AMPHTNGKJWWIBG-BMGDILEWSA-N 1 0 376.570 3.669 20 30 GHEDRO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662226 861452953 /nfs/dbraw/zinc/45/29/53/861452953.db2.gz ZTNRZMUNQFFPGA-UHFFFAOYSA-N 1 0 384.549 3.759 20 30 GHEDRO CC(C)Cc1cccc([C@H](C)C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000329456097 861458718 /nfs/dbraw/zinc/45/87/18/861458718.db2.gz PZBNBQSZDICRIN-LAUBAEHRSA-N 1 0 385.552 3.640 20 30 GHEDRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000512829201 843823232 /nfs/dbraw/zinc/82/32/32/843823232.db2.gz UVXBKGUFYSWCQU-IBGZPJMESA-N 1 0 398.478 3.597 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000512830422 843824199 /nfs/dbraw/zinc/82/41/99/843824199.db2.gz ZUGVRSXCDIZBHB-SFHVURJKSA-N 1 0 390.409 3.785 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(Cl)cc1F ZINC000120506795 843873041 /nfs/dbraw/zinc/87/30/41/843873041.db2.gz WANKEIGMTFVSBJ-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)([NH+](C)C)C1 ZINC000509760970 843970612 /nfs/dbraw/zinc/97/06/12/843970612.db2.gz IXKROGMYRJAUAB-WZONZLPQSA-N 1 0 398.551 3.622 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cc1c(F)cccc1C#N ZINC000509538406 843986590 /nfs/dbraw/zinc/98/65/90/843986590.db2.gz FSJLEUOMLOCFKD-UHFFFAOYSA-N 1 0 383.492 3.736 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000512930676 844006746 /nfs/dbraw/zinc/00/67/46/844006746.db2.gz YZMYARZHQWBBBF-NRFANRHFSA-N 1 0 377.463 3.510 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2cccs2)n1 ZINC000047011154 844662511 /nfs/dbraw/zinc/66/25/11/844662511.db2.gz ZBVYDEXHAJDBIV-UHFFFAOYSA-N 1 0 396.541 3.947 20 30 GHEDRO CC(C)OCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047011018 844680505 /nfs/dbraw/zinc/68/05/05/844680505.db2.gz DFSNVCQLZGXMNK-UHFFFAOYSA-N 1 0 379.504 3.687 20 30 GHEDRO CCOCCOCc1cccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000067120717 844781024 /nfs/dbraw/zinc/78/10/24/844781024.db2.gz KBVNUICISKDNDD-UHFFFAOYSA-N 1 0 381.520 3.879 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000176196294 844818703 /nfs/dbraw/zinc/81/87/03/844818703.db2.gz LWRJLMAOBLSVPK-HSZRJFAPSA-N 1 0 390.508 3.906 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000512630064 844821955 /nfs/dbraw/zinc/82/19/55/844821955.db2.gz LLEQZKWPLYCLER-GFCCVEGCSA-N 1 0 390.256 3.540 20 30 GHEDRO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)n1 ZINC000277150045 844850345 /nfs/dbraw/zinc/85/03/45/844850345.db2.gz JMPDGSGTQMOLSL-UHFFFAOYSA-N 1 0 385.489 3.602 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(C#N)cc1F ZINC000512642615 844869986 /nfs/dbraw/zinc/86/99/86/844869986.db2.gz QZKDHBBUJALIMT-OAHLLOKOSA-N 1 0 382.435 3.825 20 30 GHEDRO C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512647843 844880909 /nfs/dbraw/zinc/88/09/09/844880909.db2.gz JTUOCZIHMLZHOX-LJQANCHMSA-N 1 0 380.511 3.556 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)C1 ZINC000329481584 861514370 /nfs/dbraw/zinc/51/43/70/861514370.db2.gz RFGQOWNGBOGOQX-YQLZSBIMSA-N 1 0 399.579 3.997 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCOCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329480168 861514444 /nfs/dbraw/zinc/51/44/44/861514444.db2.gz QQKFIQUGUAWNCL-PQGQHUGISA-N 1 0 389.540 3.717 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)cc2F)n1 ZINC000329484649 861517854 /nfs/dbraw/zinc/51/78/54/861517854.db2.gz SJYDOLVQUJDDIR-VQIMIIECSA-N 1 0 385.487 3.732 20 30 GHEDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433029231 845012319 /nfs/dbraw/zinc/01/23/19/845012319.db2.gz BAYVRDDUCUNAMZ-KRWDZBQOSA-N 1 0 382.420 3.567 20 30 GHEDRO N#CCC[C@@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000181478184 845022088 /nfs/dbraw/zinc/02/20/88/845022088.db2.gz BVINGKZUQHIYRV-JOCHJYFZSA-N 1 0 398.551 3.565 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CC3CCC2CC3)c1C#N ZINC000433067767 845156751 /nfs/dbraw/zinc/15/67/51/845156751.db2.gz MDKKVBDJWIKBHS-LBXVMSDZSA-N 1 0 380.492 3.725 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2c2ccnn2C)C1 ZINC000329492724 861537299 /nfs/dbraw/zinc/53/72/99/861537299.db2.gz ZSUNYBABVAWMLK-MJGOQNOKSA-N 1 0 375.561 3.762 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235839 845371084 /nfs/dbraw/zinc/37/10/84/845371084.db2.gz KINKLDJIERVVEZ-MSOLQXFVSA-N 1 0 387.487 3.647 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235912 845372609 /nfs/dbraw/zinc/37/26/09/845372609.db2.gz PHIAPCVKXNUTPV-LJQANCHMSA-N 1 0 390.487 3.708 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000611559901 845376635 /nfs/dbraw/zinc/37/66/35/845376635.db2.gz JIAPMZTYDNNWCG-FPOVZHCZSA-N 1 0 387.462 3.938 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000119517155 845483193 /nfs/dbraw/zinc/48/31/93/845483193.db2.gz RORIPBVAFSSXEC-LJQANCHMSA-N 1 0 391.515 3.845 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1SCC#N ZINC000843814107 861586560 /nfs/dbraw/zinc/58/65/60/861586560.db2.gz HLLNUYBZZUFAKQ-XLIONFOSSA-N 1 0 379.529 3.943 20 30 GHEDRO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000433181738 845621879 /nfs/dbraw/zinc/62/18/79/845621879.db2.gz KSPQBSQZDSMXPT-UHFFFAOYSA-N 1 0 386.455 3.780 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2ccc(SCC)cc2Br)CC1 ZINC000625323404 861601347 /nfs/dbraw/zinc/60/13/47/861601347.db2.gz XAVYHWJOXJHLTQ-UHFFFAOYSA-N 1 0 397.382 3.870 20 30 GHEDRO COc1ccc2cc(CNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)ccc2c1 ZINC000104159063 845808447 /nfs/dbraw/zinc/80/84/47/845808447.db2.gz ZLTIMLSUQOALAQ-UHFFFAOYSA-N 1 0 377.444 3.937 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2cnn(-c3ccccc3)c2)c1 ZINC000104159391 845808736 /nfs/dbraw/zinc/80/87/36/845808736.db2.gz ULEKOQDGDIZMJB-UHFFFAOYSA-N 1 0 393.491 3.639 20 30 GHEDRO Cc1noc([C@H]2CCCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000329543895 861627047 /nfs/dbraw/zinc/62/70/47/861627047.db2.gz ODZDYUGXIXDDHU-GOSISDBHSA-N 1 0 375.517 3.616 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000329544742 861629050 /nfs/dbraw/zinc/62/90/50/861629050.db2.gz GFUKBZPFZRFXJQ-LQWHRVPQSA-N 1 0 385.552 3.705 20 30 GHEDRO N#Cc1c(F)cccc1N1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000071970003 846070022 /nfs/dbraw/zinc/07/00/22/846070022.db2.gz FJXIXJFPMABXEJ-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](C)C[C@@H]2c2ccccc2F)c1 ZINC001167535347 846096788 /nfs/dbraw/zinc/09/67/88/846096788.db2.gz VEJQBYQIAYVGKQ-FOIQADDNSA-N 1 0 379.435 3.538 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000604035722 861653368 /nfs/dbraw/zinc/65/33/68/861653368.db2.gz LMYZKAWYHYXTCM-ROUUACIJSA-N 1 0 397.544 3.515 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccccc2)cc1 ZINC000280498323 846416808 /nfs/dbraw/zinc/41/68/08/846416808.db2.gz CJXUDVBLKLDJHB-IBGZPJMESA-O 1 0 383.537 3.634 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183157510 846419884 /nfs/dbraw/zinc/41/98/84/846419884.db2.gz DWXDBXPWNGJPLI-LSDHHAIUSA-N 1 0 391.475 3.940 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000467292789 846499129 /nfs/dbraw/zinc/49/91/29/846499129.db2.gz WHFMWWSCHXXISO-UHFFFAOYSA-N 1 0 382.504 3.984 20 30 GHEDRO Cc1cc(NC(=O)c2cscc2C#N)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000551893695 846567213 /nfs/dbraw/zinc/56/72/13/846567213.db2.gz IVLSNTFSSAIMBL-SFHVURJKSA-N 1 0 391.500 3.824 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)cc1 ZINC000511093366 846691522 /nfs/dbraw/zinc/69/15/22/846691522.db2.gz VMSYPLUVYISNEG-PGRDOPGGSA-N 1 0 386.442 3.860 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3c(Cl)ccc4cccnc43)CC2)nc1 ZINC000611584287 846747414 /nfs/dbraw/zinc/74/74/14/846747414.db2.gz CKPHKVPJMABBAY-UHFFFAOYSA-N 1 0 377.879 3.913 20 30 GHEDRO COc1cc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(F)cc1C#N ZINC000599817353 861718590 /nfs/dbraw/zinc/71/85/90/861718590.db2.gz KRBJWZDPLZYRTR-GJZGRUSLSA-N 1 0 376.476 3.586 20 30 GHEDRO Cn1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000183251993 846833481 /nfs/dbraw/zinc/83/34/81/846833481.db2.gz OSMNPUPZSQVUEW-UHFFFAOYSA-N 1 0 385.515 3.667 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000503148972 846841097 /nfs/dbraw/zinc/84/10/97/846841097.db2.gz AMQYGLHLDVLTSA-HXOBKFHXSA-N 1 0 399.535 3.590 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000503148973 846841419 /nfs/dbraw/zinc/84/14/19/846841419.db2.gz AMQYGLHLDVLTSA-SBUREZEXSA-N 1 0 399.535 3.590 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000501332368 846852518 /nfs/dbraw/zinc/85/25/18/846852518.db2.gz YUGBBFXALHTVSH-IBGZPJMESA-N 1 0 395.469 3.867 20 30 GHEDRO Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)nn1CCC#N ZINC000272067696 846983795 /nfs/dbraw/zinc/98/37/95/846983795.db2.gz JTPWOTNMFVALGM-UHFFFAOYSA-N 1 0 394.523 3.803 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)nn1CCC#N ZINC000272097452 846991095 /nfs/dbraw/zinc/99/10/95/846991095.db2.gz OFHZCULNKCJSGG-UHFFFAOYSA-N 1 0 394.523 3.803 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C[C@H](C)C#N)C2CC2)CC1 ZINC000513769377 846998517 /nfs/dbraw/zinc/99/85/17/846998517.db2.gz KPBWWPOESBUMRN-OAHLLOKOSA-N 1 0 389.931 3.638 20 30 GHEDRO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000048777358 847050983 /nfs/dbraw/zinc/05/09/83/847050983.db2.gz ICHHULFIZATTEC-UHFFFAOYSA-N 1 0 399.494 3.885 20 30 GHEDRO N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511110209 847071323 /nfs/dbraw/zinc/07/13/23/847071323.db2.gz WWHUAZTWUXMDKU-HKUYNNGSSA-N 1 0 387.405 3.983 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187758327 847289749 /nfs/dbraw/zinc/28/97/49/847289749.db2.gz SAHZWOTYCLITCN-LIRRHRJNSA-N 1 0 378.375 3.520 20 30 GHEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000329058902 847296555 /nfs/dbraw/zinc/29/65/55/847296555.db2.gz UFGRIZDUXGDUNH-OALUTQOASA-N 1 0 377.573 3.882 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3F)C1)CC2 ZINC000479058890 847429438 /nfs/dbraw/zinc/42/94/38/847429438.db2.gz KPINKSBAVKGFMX-PXNSSMCTSA-N 1 0 395.478 3.960 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503530212 847760251 /nfs/dbraw/zinc/76/02/51/847760251.db2.gz BXNGALOMSRCSOZ-GZBFAFLISA-N 1 0 383.464 3.769 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C3CCOCC3)C2)sc2c1CCCC2 ZINC000366841544 847875872 /nfs/dbraw/zinc/87/58/72/847875872.db2.gz AZHIMNQJMCRRHS-MRXNPFEDSA-N 1 0 387.549 3.576 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000158697359 847936250 /nfs/dbraw/zinc/93/62/50/847936250.db2.gz ZNODUUGPXLVDEJ-OAQYLSRUSA-N 1 0 392.503 3.545 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001167594726 847943953 /nfs/dbraw/zinc/94/39/53/847943953.db2.gz QPBFNMWENDUWQK-OXQOHEQNSA-N 1 0 396.922 3.745 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000562154397 847973309 /nfs/dbraw/zinc/97/33/09/847973309.db2.gz STOZHELJOGLRKZ-UHFFFAOYSA-N 1 0 384.480 3.924 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000375727738 847980915 /nfs/dbraw/zinc/98/09/15/847980915.db2.gz UAPLQTPUDKURFE-NRFANRHFSA-N 1 0 377.529 3.562 20 30 GHEDRO COCCCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000582699678 848062248 /nfs/dbraw/zinc/06/22/48/848062248.db2.gz MEENTPYAYUNMIH-UHFFFAOYSA-N 1 0 390.527 3.659 20 30 GHEDRO CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C#N)cc1 ZINC000046519194 848098208 /nfs/dbraw/zinc/09/82/08/848098208.db2.gz UCDQMGIISALYPW-UHFFFAOYSA-N 1 0 378.501 3.831 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000604145715 861890349 /nfs/dbraw/zinc/89/03/49/861890349.db2.gz JGHOPDNIQQRHDB-RXVVDRJESA-N 1 0 397.544 3.976 20 30 GHEDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000277886539 848329137 /nfs/dbraw/zinc/32/91/37/848329137.db2.gz VRHMEJMOPSUQTF-UZLBHIALSA-N 1 0 375.538 3.646 20 30 GHEDRO COc1cc2cccnc2c(N(c2ccnc(CC#N)c2)[C@@H](C)CCC[NH3+])c1 ZINC001167612586 848330349 /nfs/dbraw/zinc/33/03/49/848330349.db2.gz GHKJRIGCAQKCNW-INIZCTEOSA-N 1 0 375.476 3.970 20 30 GHEDRO Cc1cc(C)nc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000329643071 861892061 /nfs/dbraw/zinc/89/20/61/861892061.db2.gz YPKKGSIIYTZCNA-PMACEKPBSA-N 1 0 387.572 3.513 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000237633044 848466610 /nfs/dbraw/zinc/46/66/10/848466610.db2.gz AHRIYYFTCMBBOP-DEOSSOPVSA-N 1 0 378.516 3.560 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)cc1OCCCC#N ZINC000119995598 848480938 /nfs/dbraw/zinc/48/09/38/848480938.db2.gz OCPRPCMREFAPOX-INIZCTEOSA-N 1 0 396.487 4.000 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000180035414 861916230 /nfs/dbraw/zinc/91/62/30/861916230.db2.gz QELHHVCTIVFCHP-OFNKIYASSA-N 1 0 377.532 3.926 20 30 GHEDRO CC(=O)CNc1ccc(/C=[NH+]\CC/N=C\c2ccc(Br)cc2)cc1 ZINC001167630032 848572655 /nfs/dbraw/zinc/57/26/55/848572655.db2.gz VBUUXHNOARBUKJ-JZTLMNBPSA-N 1 0 386.293 3.988 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000582897557 848652643 /nfs/dbraw/zinc/65/26/43/848652643.db2.gz QXSKNSQRPFUCDR-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)cc2)C1 ZINC000048828231 848664578 /nfs/dbraw/zinc/66/45/78/848664578.db2.gz QGKNPSDEGXZCFJ-GOSISDBHSA-N 1 0 376.504 3.790 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000153823034 849039507 /nfs/dbraw/zinc/03/95/07/849039507.db2.gz YIERRHTZTNZGTN-MJGOQNOKSA-N 1 0 395.503 3.611 20 30 GHEDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000604230572 862000437 /nfs/dbraw/zinc/00/04/37/862000437.db2.gz QIJACVRYLZJCDG-FQEVSTJZSA-N 1 0 378.476 3.547 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(C)C)nn2Cc2ccccc2)CC1 ZINC000583271644 849494956 /nfs/dbraw/zinc/49/49/56/849494956.db2.gz KXMPMIRMTVGVLR-UHFFFAOYSA-N 1 0 381.524 3.827 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000522533457 862041550 /nfs/dbraw/zinc/04/15/50/862041550.db2.gz AXRGZKQRVMUZMH-FGTMMUONSA-N 1 0 395.503 3.826 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329682932 862053015 /nfs/dbraw/zinc/05/30/15/862053015.db2.gz XODXAFDXONWZDM-YYWHXJBOSA-N 1 0 397.567 3.978 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000604276832 862059084 /nfs/dbraw/zinc/05/90/84/862059084.db2.gz VGQBMFHRPJRKAQ-CHWSQXEVSA-N 1 0 393.331 3.950 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cc1 ZINC000434869883 849856359 /nfs/dbraw/zinc/85/63/59/849856359.db2.gz ONBWZAFULOEQKI-IAQYHMDHSA-N 1 0 390.306 3.838 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000504067057 849861604 /nfs/dbraw/zinc/86/16/04/849861604.db2.gz FLJREUHEHBYXKK-RXVVDRJESA-N 1 0 391.515 3.695 20 30 GHEDRO CC(C)c1ccc(-c2nc(CC(=O)NC3(C#N)CC[NH+](C)CC3)cs2)cc1 ZINC000732080174 862069641 /nfs/dbraw/zinc/06/96/41/862069641.db2.gz GJNFBNGLWGHTED-UHFFFAOYSA-N 1 0 382.533 3.580 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000504112462 849911700 /nfs/dbraw/zinc/91/17/00/849911700.db2.gz XJIRRGMECCLNBT-IBGZPJMESA-N 1 0 389.540 3.657 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(Cc3cccnc3)CC2)c(-c2ccncc2)n1 ZINC000434986918 849974530 /nfs/dbraw/zinc/97/45/30/849974530.db2.gz QPVMECXKZBWUCO-UHFFFAOYSA-N 1 0 386.503 3.708 20 30 GHEDRO COc1ccccc1CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000505616826 850141687 /nfs/dbraw/zinc/14/16/87/850141687.db2.gz ZJRJCIKDKIVIRZ-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO COC(=O)[C@]1(C)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H]1C ZINC000504589858 850177741 /nfs/dbraw/zinc/17/77/41/850177741.db2.gz OITHTEVDBLGAJO-UZUQRXQVSA-N 1 0 378.472 3.768 20 30 GHEDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424120846 850234823 /nfs/dbraw/zinc/23/48/23/850234823.db2.gz HKFOOCKYOIEAOI-YADHBBJMSA-N 1 0 379.504 3.733 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424131504 850256954 /nfs/dbraw/zinc/25/69/54/850256954.db2.gz WCVFNHCKFYSQOS-WOJBJXKFSA-N 1 0 397.592 3.991 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000424176808 850263382 /nfs/dbraw/zinc/26/33/82/850263382.db2.gz YJQPCQKVLUNGIK-FZMZJTMJSA-N 1 0 375.104 3.892 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC000908695114 850274770 /nfs/dbraw/zinc/27/47/70/850274770.db2.gz LZBZNJWPBYIWKW-NRDMVMEKSA-N 1 0 393.535 3.587 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1C#N ZINC000426471533 850303418 /nfs/dbraw/zinc/30/34/18/850303418.db2.gz MQSUGXZHQZTGFG-RXVVDRJESA-N 1 0 394.494 3.977 20 30 GHEDRO N#Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000017909273 850391394 /nfs/dbraw/zinc/39/13/94/850391394.db2.gz XJTQLTLBAZCMEU-FQEVSTJZSA-N 1 0 383.879 3.544 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1)C1CC1 ZINC000505671578 850413814 /nfs/dbraw/zinc/41/38/14/850413814.db2.gz ODQFETVVXIBAMY-UHFFFAOYSA-N 1 0 388.515 3.505 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000487175404 850517229 /nfs/dbraw/zinc/51/72/29/850517229.db2.gz ILLAVTRZQSVSNZ-OAHLLOKOSA-N 1 0 397.350 3.522 20 30 GHEDRO C=CCC1(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCOCC1 ZINC000424550576 850522891 /nfs/dbraw/zinc/52/28/91/850522891.db2.gz YIWPBAKTNZADTK-NRFANRHFSA-N 1 0 386.536 3.711 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000505059708 850560661 /nfs/dbraw/zinc/56/06/61/850560661.db2.gz ATOMTZYFQXYFEP-HSZRJFAPSA-N 1 0 379.504 3.564 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCOCC1 ZINC000424631802 850583720 /nfs/dbraw/zinc/58/37/20/850583720.db2.gz BAHLVEZYVQGMIE-UHFFFAOYSA-N 1 0 399.535 3.813 20 30 GHEDRO N#CC1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCC1 ZINC000515145195 850716259 /nfs/dbraw/zinc/71/62/59/850716259.db2.gz ZPHOAEHKQLXTEX-FCHUYYIVSA-N 1 0 388.515 3.648 20 30 GHEDRO C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1=CC[N@H+](C)CC1 ZINC000329705445 862160953 /nfs/dbraw/zinc/16/09/53/862160953.db2.gz KGWIGVHZNNMLKP-NSHDSACASA-N 1 0 390.281 3.658 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435751114 850815478 /nfs/dbraw/zinc/81/54/78/850815478.db2.gz PQDAFUMOFGHHKH-KBXCAEBGSA-N 1 0 376.298 3.910 20 30 GHEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)ccc1OCCO ZINC000515257428 850834324 /nfs/dbraw/zinc/83/43/24/850834324.db2.gz VJMODVCSRMFJRN-ZDUSSCGKSA-N 1 0 394.393 3.808 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000435766654 850839946 /nfs/dbraw/zinc/83/99/46/850839946.db2.gz ZJXSNKFIMRZZNX-JOCHJYFZSA-N 1 0 385.552 3.838 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000515267138 850843718 /nfs/dbraw/zinc/84/37/18/850843718.db2.gz JXAZHENFBITBTH-MHIUNMELSA-N 1 0 391.490 3.920 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000604445977 862185874 /nfs/dbraw/zinc/18/58/74/862185874.db2.gz SKHXMEWNDGBLBZ-JEEBJRHZSA-N 1 0 383.536 3.825 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000604416355 862191150 /nfs/dbraw/zinc/19/11/50/862191150.db2.gz XXWABYITTCPXRO-PMACEKPBSA-N 1 0 384.907 3.853 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000440399349 851158579 /nfs/dbraw/zinc/15/85/79/851158579.db2.gz QRPINWJEDNDJKZ-SIKLNZKXSA-N 1 0 391.515 3.879 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434597038 851326342 /nfs/dbraw/zinc/32/63/42/851326342.db2.gz PCZRXFHJRYEIIO-HXUWFJFHSA-N 1 0 399.535 3.605 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1COc2ccccc21 ZINC000162976536 862232477 /nfs/dbraw/zinc/23/24/77/862232477.db2.gz BADLUVKEKMQBOA-IIYDPXPESA-N 1 0 381.501 3.590 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000436259759 851393239 /nfs/dbraw/zinc/39/32/39/851393239.db2.gz LGIYLBFEEWGOBM-FXAWDEMLSA-N 1 0 375.513 3.510 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000436319210 851456358 /nfs/dbraw/zinc/45/63/58/851456358.db2.gz ZRCQERSZOPHPLS-IYOUNJFTSA-N 1 0 381.314 3.737 20 30 GHEDRO COc1ccccc1C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC000434684605 851492315 /nfs/dbraw/zinc/49/23/15/851492315.db2.gz JMNPYYRKAFSAFI-NRFANRHFSA-N 1 0 393.487 3.577 20 30 GHEDRO CCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000604490064 862249909 /nfs/dbraw/zinc/24/99/09/862249909.db2.gz HJIDBMBSARYGOC-IFMALSPDSA-N 1 0 396.579 3.829 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000436350158 851512325 /nfs/dbraw/zinc/51/23/25/851512325.db2.gz FVHCTKQEAQPQBW-UHFFFAOYSA-N 1 0 377.488 3.816 20 30 GHEDRO CN1CCO[C@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1 ZINC000570171016 851553144 /nfs/dbraw/zinc/55/31/44/851553144.db2.gz CNEKREXPULYWKN-KRWDZBQOSA-N 1 0 387.892 3.632 20 30 GHEDRO C=CCN(C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC000664551867 851568127 /nfs/dbraw/zinc/56/81/27/851568127.db2.gz VLRGDCFEXFBUDF-URLQWDBASA-N 1 0 397.922 3.704 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000488509361 851572337 /nfs/dbraw/zinc/57/23/37/851572337.db2.gz VNACBWJRGNWVRW-UWJYYQICSA-N 1 0 379.529 3.677 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000488519696 851592751 /nfs/dbraw/zinc/59/27/51/851592751.db2.gz AQRLNTNYNMBZAZ-RXVVDRJESA-N 1 0 394.515 3.900 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425552975 851630969 /nfs/dbraw/zinc/63/09/69/851630969.db2.gz LOQRYTFSRZJLLX-FXAWDEMLSA-N 1 0 388.577 3.932 20 30 GHEDRO N#Cc1ccc(NCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000604511227 862267014 /nfs/dbraw/zinc/26/70/14/862267014.db2.gz IAMRYUYTPDBBOA-UHFFFAOYSA-N 1 0 376.504 3.663 20 30 GHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H](C)C1 ZINC000488715984 851720723 /nfs/dbraw/zinc/72/07/23/851720723.db2.gz JAICFLSUAGGCJJ-GSHUGGBRSA-N 1 0 377.536 3.650 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(NC(C)=O)ccc1F)C(C)C ZINC000044076896 851894443 /nfs/dbraw/zinc/89/44/43/851894443.db2.gz KVXHZOKHYXHXSX-LJQANCHMSA-N 1 0 376.476 3.604 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000489076600 851973003 /nfs/dbraw/zinc/97/30/03/851973003.db2.gz MTZJGQZYTCUXAA-UHFFFAOYSA-N 1 0 380.492 3.741 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000473788087 852011966 /nfs/dbraw/zinc/01/19/66/852011966.db2.gz OILVVCBJVXXMGR-HZPDHXFCSA-N 1 0 380.467 3.975 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438143393 852077730 /nfs/dbraw/zinc/07/77/30/852077730.db2.gz UUAZUGJAIPBPGU-NFBKMPQASA-N 1 0 396.535 3.806 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](COc2ccccc2F)C(C)(C)C)CC1 ZINC000489187747 852101379 /nfs/dbraw/zinc/10/13/79/852101379.db2.gz ZOEWUTYFOLFAOR-HXUWFJFHSA-N 1 0 391.531 3.959 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329789833 862324187 /nfs/dbraw/zinc/32/41/87/862324187.db2.gz CJMLTKMGJQKUIB-JHNDHUHGSA-N 1 0 377.554 3.871 20 30 GHEDRO C[N@H+](CCOc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000517626253 852167600 /nfs/dbraw/zinc/16/76/00/852167600.db2.gz YRVWTRVCOYLKBY-MOPGFXCFSA-N 1 0 377.271 3.834 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000517658344 852215946 /nfs/dbraw/zinc/21/59/46/852215946.db2.gz HRKOMEKQUPHFEF-GCJKJVERSA-N 1 0 379.504 3.598 20 30 GHEDRO C[C@H](Cn1ccc2ccccc21)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000506207925 852255154 /nfs/dbraw/zinc/25/51/54/852255154.db2.gz ZDIZQKWQGAGKEP-LJQANCHMSA-N 1 0 388.515 3.739 20 30 GHEDRO N#Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC000437802778 852263609 /nfs/dbraw/zinc/26/36/09/852263609.db2.gz SDIBZTLHSVQPGW-QGZVFWFLSA-N 1 0 399.441 3.802 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(N(C)C)CCC2)cc1OC ZINC000438341929 852288680 /nfs/dbraw/zinc/28/86/80/852288680.db2.gz PZHYTCLBVVEIGP-UHFFFAOYSA-N 1 0 383.330 3.596 20 30 GHEDRO COc1ccc(-c2nnc(CNC(NCc3cccs3)=[NH+]C(C)(C)C)[nH]2)cc1 ZINC000912506261 852312126 /nfs/dbraw/zinc/31/21/26/852312126.db2.gz LRYUAWDYWZELLN-UHFFFAOYSA-N 1 0 398.536 3.576 20 30 GHEDRO COc1ccc(CCNC(NCc2ccc(OC)c(F)c2)=[NH+]C(C)(C)C)cc1 ZINC000912510073 852314294 /nfs/dbraw/zinc/31/42/94/852314294.db2.gz YUBAEFIIOJMOMY-UHFFFAOYSA-N 1 0 387.499 3.919 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)CNc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000426770826 852374357 /nfs/dbraw/zinc/37/43/57/852374357.db2.gz WIGYJPJNTUBEII-GOSISDBHSA-N 1 0 376.504 3.750 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21)C(C)C ZINC000625558790 862354181 /nfs/dbraw/zinc/35/41/81/862354181.db2.gz XWOVVLMXWHFDNC-HOTGVXAUSA-N 1 0 398.473 3.594 20 30 GHEDRO CC[NH+]=C(N[C@H](C)c1cccc(N2CCCC2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000261952157 852489787 /nfs/dbraw/zinc/48/97/87/852489787.db2.gz HTDQYXJFRNOERI-RCOXNQKVSA-N 1 0 384.568 3.716 20 30 GHEDRO CCS[C@H]1CCCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000732569273 862362539 /nfs/dbraw/zinc/36/25/39/862362539.db2.gz HWUPYXGDWSLTCW-IRXDYDNUSA-N 1 0 380.517 3.831 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000489741677 852564475 /nfs/dbraw/zinc/56/44/75/852564475.db2.gz MUQIJURBCLDQDF-OAHLLOKOSA-N 1 0 378.398 3.569 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000505930179 852629392 /nfs/dbraw/zinc/62/93/92/852629392.db2.gz LNZULCGBSAYHPI-WIYYLYMNSA-N 1 0 385.577 3.904 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000507180449 852631171 /nfs/dbraw/zinc/63/11/71/852631171.db2.gz NLNMIOMVILRYSF-LEWJYISDSA-N 1 0 381.516 3.961 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000329854867 862376676 /nfs/dbraw/zinc/37/66/76/862376676.db2.gz SXBQYHFOGCLYLP-YJBOKZPZSA-N 1 0 379.460 3.529 20 30 GHEDRO Cc1ccc(-n2cc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cn2)c(C)c1 ZINC000329857729 862377907 /nfs/dbraw/zinc/37/79/07/862377907.db2.gz ZKOGCRYSUGYJEP-IBGZPJMESA-N 1 0 381.524 3.698 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000507236641 852696221 /nfs/dbraw/zinc/69/62/21/852696221.db2.gz XYYAOVZBQWNLBT-GJZGRUSLSA-N 1 0 379.439 3.688 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC(CC)(CC)CC1 ZINC000669032944 852763193 /nfs/dbraw/zinc/76/31/93/852763193.db2.gz ZQBHNHJKHLSVGP-MOPGFXCFSA-N 1 0 387.572 3.797 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2nc3c(cc2C#N)COCC3)C1 ZINC000518084220 852838839 /nfs/dbraw/zinc/83/88/39/852838839.db2.gz AORXPSIQAFFDQM-QZTJIDSGSA-N 1 0 390.531 3.538 20 30 GHEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC000912916487 852884678 /nfs/dbraw/zinc/88/46/78/852884678.db2.gz QFGFWRUQYPBFAE-MRXNPFEDSA-N 1 0 381.863 3.924 20 30 GHEDRO CC(C)(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(F)cc(C#N)c1 ZINC000506011306 852947324 /nfs/dbraw/zinc/94/73/24/852947324.db2.gz AODINLYRHDZTHG-NRFANRHFSA-N 1 0 379.479 3.928 20 30 GHEDRO Cc1c([C@H]2OCC[C@@H]2C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1C ZINC000329906128 862412339 /nfs/dbraw/zinc/41/23/39/862412339.db2.gz RXOFMAKFORWJCI-RRIFGTCXSA-N 1 0 376.545 3.519 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)c1 ZINC000506022831 852981344 /nfs/dbraw/zinc/98/13/44/852981344.db2.gz XNKVKCFXFYVCDL-OAQYLSRUSA-N 1 0 377.463 3.682 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000438853025 852995432 /nfs/dbraw/zinc/99/54/32/852995432.db2.gz NZDMLYQFHUCSMQ-NRFANRHFSA-N 1 0 386.540 3.564 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000437346521 853043678 /nfs/dbraw/zinc/04/36/78/853043678.db2.gz NBAONFZFNVOIOW-NQIIRXRSSA-N 1 0 378.472 3.959 20 30 GHEDRO Cc1ccccc1C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCOCC1 ZINC000261964175 853144576 /nfs/dbraw/zinc/14/45/76/853144576.db2.gz ALRTXYMYWADGNN-UHFFFAOYSA-N 1 0 395.503 3.631 20 30 GHEDRO C[C@@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516916421 853153957 /nfs/dbraw/zinc/15/39/57/853153957.db2.gz BIBMBIRZYSZCGC-UZUQRXQVSA-N 1 0 376.504 3.975 20 30 GHEDRO O=C(Nc1sccc1C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1Cl ZINC000329931749 862434331 /nfs/dbraw/zinc/43/43/31/862434331.db2.gz AUGBFBJXHNAZNS-UHFFFAOYSA-N 1 0 389.908 3.958 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000280791410 853235299 /nfs/dbraw/zinc/23/52/99/853235299.db2.gz QPWWTCMQUXOBMD-UHFFFAOYSA-N 1 0 380.448 3.527 20 30 GHEDRO CSc1ccc(N2C[C@H](C(=O)NCC3CC[NH+](C4CC4)CC3)CC2=O)cc1 ZINC000329940602 862441713 /nfs/dbraw/zinc/44/17/13/862441713.db2.gz GHIPQUURXAJZBH-MRXNPFEDSA-N 1 0 387.549 3.592 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000437632397 853340673 /nfs/dbraw/zinc/34/06/73/853340673.db2.gz VCNZQZVLCJKMCI-VXKWHMMOSA-N 1 0 385.552 3.843 20 30 GHEDRO CC[NH+]=C(NCCc1c[nH]c2cccc(C)c12)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261946917 853435047 /nfs/dbraw/zinc/43/50/47/853435047.db2.gz GDFRCEJGTFIYCC-LAUBAEHRSA-N 1 0 392.551 3.764 20 30 GHEDRO C[NH+](C)CC1(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CCCCC1 ZINC000426323272 853449157 /nfs/dbraw/zinc/44/91/57/853449157.db2.gz MHTQQLWTQVCLPU-UHFFFAOYSA-N 1 0 383.536 3.877 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCc2ccc(Br)cc2)CC1 ZINC000518530980 853457186 /nfs/dbraw/zinc/45/71/86/853457186.db2.gz ASKBVDCRLNNNTQ-UHFFFAOYSA-N 1 0 394.357 3.674 20 30 GHEDRO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000519795518 853479705 /nfs/dbraw/zinc/47/97/05/853479705.db2.gz YZUMFOOGLRPQTJ-YKSBVNFPSA-N 1 0 394.515 3.911 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN(C)CCC[N@H+](C)Cc2ccco2)c1C#N ZINC000586788448 853549393 /nfs/dbraw/zinc/54/93/93/853549393.db2.gz YKEDYLVFQYWWIE-UHFFFAOYSA-N 1 0 377.492 3.599 20 30 GHEDRO Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000329988124 862481315 /nfs/dbraw/zinc/48/13/15/862481315.db2.gz GTIJKSYQLJLOPU-UHFFFAOYSA-N 1 0 395.551 3.853 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](CC(=O)OC)c2ccc(OC)cc2)c(O)c1 ZINC000732769283 862483665 /nfs/dbraw/zinc/48/36/65/862483665.db2.gz FTMJDQZGHRRXLO-QFVADWCQSA-N 1 0 384.476 3.970 20 30 GHEDRO CC(C)NC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(CO)c1 ZINC000055009699 853627963 /nfs/dbraw/zinc/62/79/63/853627963.db2.gz YCLVIVNSVWZZRT-UHFFFAOYSA-O 1 0 385.553 3.701 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000055011323 853628106 /nfs/dbraw/zinc/62/81/06/853628106.db2.gz QBJIYMRQQUQFKV-GOSISDBHSA-O 1 0 383.537 3.552 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)OCCO2)C(=S)NC(C)(C)C ZINC000055015334 853630433 /nfs/dbraw/zinc/63/04/33/853630433.db2.gz HLXWVJNVGJTIGC-UHFFFAOYSA-O 1 0 399.536 3.635 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)NC(C)(C)C)cc1 ZINC000055014306 853634423 /nfs/dbraw/zinc/63/44/23/853634423.db2.gz UOOJJTCQBAVQSE-UHFFFAOYSA-O 1 0 385.509 3.592 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCc2csc(C)n2)CC1 ZINC000517304896 853639821 /nfs/dbraw/zinc/63/98/21/853639821.db2.gz QAVQSHTUTXBDTG-UHFFFAOYSA-N 1 0 385.533 3.801 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188076331 853643138 /nfs/dbraw/zinc/64/31/38/853643138.db2.gz LRRYRAPEOMLHIY-FQEVSTJZSA-N 1 0 398.469 3.969 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccccc3OC)CCCC2)CC1 ZINC000517321074 853654225 /nfs/dbraw/zinc/65/42/25/853654225.db2.gz VQNPVUCPZBGRHL-UHFFFAOYSA-N 1 0 385.552 3.847 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044566436 853661518 /nfs/dbraw/zinc/66/15/18/853661518.db2.gz KLLLIPBMEDBBFB-ZWKOTPCHSA-N 1 0 381.442 3.817 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000329993079 862488481 /nfs/dbraw/zinc/48/84/81/862488481.db2.gz LAFZGSWDFDJBDP-UHYCVJNDSA-N 1 0 387.524 3.772 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000440921766 853749492 /nfs/dbraw/zinc/74/94/92/853749492.db2.gz MBJPHBDRAWUHIH-UHFFFAOYSA-N 1 0 398.551 3.770 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2(C#N)CCCCC2)[C@@H]1c1cccs1 ZINC000330018167 862510304 /nfs/dbraw/zinc/51/03/04/862510304.db2.gz SIBCKUZDWBFEEI-FUHWJXTLSA-N 1 0 395.594 3.524 20 30 GHEDRO COCCOCc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000571477678 853889324 /nfs/dbraw/zinc/88/93/24/853889324.db2.gz CHILKOQIXOHKLO-UHFFFAOYSA-N 1 0 395.503 3.596 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1O ZINC000164312906 853907222 /nfs/dbraw/zinc/90/72/22/853907222.db2.gz YAXLCPBKUUEUNM-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCCNc2cc(Br)c(C#N)cc2F)C[C@H](C)O1 ZINC000571562712 853949693 /nfs/dbraw/zinc/94/96/93/853949693.db2.gz COKGTZYOVRBGHY-BETUJISGSA-N 1 0 384.293 3.761 20 30 GHEDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481919489 862517756 /nfs/dbraw/zinc/51/77/56/862517756.db2.gz SKPYMQSSEOKRMC-QFIPXVFZSA-N 1 0 397.544 3.802 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000481911067 862526126 /nfs/dbraw/zinc/52/61/26/862526126.db2.gz CSLZGPWKRKITLY-RPWUZVMVSA-N 1 0 375.516 3.989 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000164648547 854134681 /nfs/dbraw/zinc/13/46/81/854134681.db2.gz RYXQUZNESVXQNB-PMACEKPBSA-N 1 0 397.592 3.564 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164651652 854141884 /nfs/dbraw/zinc/14/18/84/854141884.db2.gz REHRULUTAXKONH-UXHICEINSA-N 1 0 397.592 3.949 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)s1 ZINC000571828383 854150146 /nfs/dbraw/zinc/15/01/46/854150146.db2.gz RXXKWWIRNOKDOE-UTUOFQBUSA-N 1 0 391.928 3.939 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164702487 854225520 /nfs/dbraw/zinc/22/55/20/854225520.db2.gz XDRKWEQNNLPUGB-QUCCMNQESA-N 1 0 397.592 3.949 20 30 GHEDRO Cc1cc(OCC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc(C)c1Cl ZINC000330073920 862556004 /nfs/dbraw/zinc/55/60/04/862556004.db2.gz KVAJVNFDHXBUOC-UHFFFAOYSA-N 1 0 380.916 3.937 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cn4c(n3)CCCC4)CC[N@@H+]2C2CC2)c1 ZINC000328717210 854520099 /nfs/dbraw/zinc/52/00/99/854520099.db2.gz PFEKEDBUCAHHMX-GHTZIAJQSA-N 1 0 380.492 3.511 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cn21 ZINC000328754896 854529372 /nfs/dbraw/zinc/52/93/72/854529372.db2.gz SNECWTILVWHRHK-ROUUACIJSA-N 1 0 398.555 3.985 20 30 GHEDRO O=C(Nc1cccc(C(=O)N2CCCC2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330105042 862578768 /nfs/dbraw/zinc/57/87/68/862578768.db2.gz IAFPJXCGTQOZBC-UHFFFAOYSA-N 1 0 384.524 3.656 20 30 GHEDRO C[C@@H]1CN(Cc2csc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)n2)C[C@H](C)O1 ZINC000328799866 854562077 /nfs/dbraw/zinc/56/20/77/854562077.db2.gz XZLUHGVYAAUOEU-OAGGEKHMSA-N 1 0 380.558 3.605 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000178936830 854563064 /nfs/dbraw/zinc/56/30/64/854563064.db2.gz GKWNRFBOJAYUAK-INIZCTEOSA-N 1 0 398.425 3.783 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)c2ccccc21 ZINC000588967565 854619554 /nfs/dbraw/zinc/61/95/54/854619554.db2.gz ZHDHFXKKVZDKIW-AWEZNQCLSA-N 1 0 399.903 3.884 20 30 GHEDRO CC(=O)N[C@H](C)C1CCN(c2ccnc(N[C@@H]3CCCO[C@@H]3C(C)C)n2)CC1 ZINC000330114488 862585159 /nfs/dbraw/zinc/58/51/59/862585159.db2.gz DVTDXTLYJJCUKO-XFQXTVEOSA-N 1 0 389.544 3.673 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000328979384 854639525 /nfs/dbraw/zinc/63/95/25/854639525.db2.gz QZTBCDXYTHDYJC-ISNZEAQHSA-N 1 0 396.915 3.577 20 30 GHEDRO C[C@@H]1CCC[C@H](CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)C1 ZINC000328987959 854642473 /nfs/dbraw/zinc/64/24/73/854642473.db2.gz DXOIVCQQQALSPL-YXYSEUPNSA-N 1 0 383.536 3.758 20 30 GHEDRO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000328994307 854645429 /nfs/dbraw/zinc/64/54/29/854645429.db2.gz GELPHDXLWNZJQO-CLPYNLIWSA-N 1 0 391.600 3.959 20 30 GHEDRO CSc1cc2c(cc1NC(=O)NC1CC[NH+](C3CCCC3)CC1)OCCO2 ZINC000330124555 862594382 /nfs/dbraw/zinc/59/43/82/862594382.db2.gz LKGFTSXEXPWIRR-UHFFFAOYSA-N 1 0 391.537 3.913 20 30 GHEDRO CC[NH+]1C[C@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000589161963 854731989 /nfs/dbraw/zinc/73/19/89/854731989.db2.gz CJOSWWWEOQOFEZ-HOTGVXAUSA-N 1 0 388.581 3.632 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000056549773 854788412 /nfs/dbraw/zinc/78/84/12/854788412.db2.gz LAPSEFQTGMLPHT-SFHVURJKSA-N 1 0 382.464 3.899 20 30 GHEDRO CCCOc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000330134286 862604310 /nfs/dbraw/zinc/60/43/10/862604310.db2.gz MJEJROCKRBSXTF-YTQUADARSA-N 1 0 389.540 3.875 20 30 GHEDRO COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000330989983 854792294 /nfs/dbraw/zinc/79/22/94/854792294.db2.gz SIUGSDCZRVJNPY-OAHLLOKOSA-N 1 0 375.513 3.804 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000589311515 854803471 /nfs/dbraw/zinc/80/34/71/854803471.db2.gz MWSBCOHONFHNSD-UHFFFAOYSA-N 1 0 376.220 3.545 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC000765782118 854813437 /nfs/dbraw/zinc/81/34/37/854813437.db2.gz JDUFWFAVHOPLBF-XMSQKQJNSA-N 1 0 393.572 3.617 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)C[C@@H]1C ZINC000330140902 862608863 /nfs/dbraw/zinc/60/88/63/862608863.db2.gz XGPNKKQRABGBAH-XKGZKEIXSA-N 1 0 375.513 3.595 20 30 GHEDRO Cc1sc(Br)c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000331265457 854834100 /nfs/dbraw/zinc/83/41/00/854834100.db2.gz HMTVTGDQILZRIL-ZDUSSCGKSA-N 1 0 389.359 3.525 20 30 GHEDRO Cc1c(CC(=O)NC2CC[NH+](C3CCCC3)CC2)nnn1-c1ccc(C)cc1 ZINC000330145536 862612455 /nfs/dbraw/zinc/61/24/55/862612455.db2.gz HJGNVFRXHMOEEZ-UHFFFAOYSA-N 1 0 381.524 3.790 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000176500862 862629302 /nfs/dbraw/zinc/62/93/02/862629302.db2.gz VLKDXIWMNRLCMS-RBBKRZOGSA-N 1 0 385.552 3.802 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC000669334542 855030006 /nfs/dbraw/zinc/03/00/06/855030006.db2.gz HWSDIDNMGIOCCP-QKLQHJQFSA-N 1 0 399.514 3.726 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C[C@@H](C)c1ccccc1 ZINC000669335811 855044349 /nfs/dbraw/zinc/04/43/49/855044349.db2.gz YFQXULLVRMDPQE-NRSPTQNISA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000056795878 855053915 /nfs/dbraw/zinc/05/39/15/855053915.db2.gz CJYUUBCJZIXWTQ-OAQYLSRUSA-N 1 0 385.483 3.835 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)CC1 ZINC000189352399 855076142 /nfs/dbraw/zinc/07/61/42/855076142.db2.gz UOOLVSRVQAWCHQ-UHFFFAOYSA-N 1 0 381.524 3.827 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(Oc4ccccn4)c3)CC2)nc1 ZINC000921672511 855080650 /nfs/dbraw/zinc/08/06/50/855080650.db2.gz UGTIKROOKCWPMG-UHFFFAOYSA-N 1 0 385.471 3.899 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000553510830 855091478 /nfs/dbraw/zinc/09/14/78/855091478.db2.gz KTZCYEVFTBNAQG-PXAZEXFGSA-N 1 0 386.421 3.977 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1C ZINC000589743954 855120797 /nfs/dbraw/zinc/12/07/97/855120797.db2.gz SGLSNUKVDATHAS-MZYLBHOOSA-N 1 0 397.563 3.956 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)C[NH+]1CCCC1 ZINC000056984656 855155655 /nfs/dbraw/zinc/15/56/55/855155655.db2.gz OCHRAVMPFDFDNP-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(Cl)cc1Cl ZINC000330194719 862652519 /nfs/dbraw/zinc/65/25/19/862652519.db2.gz BFVGFAKOCSQMLH-GFCCVEGCSA-N 1 0 396.322 3.966 20 30 GHEDRO CCc1ccc([C@H](CNS(=O)(=O)c2cccc(CC#N)c2)[NH+](CC)CC)cc1 ZINC000590064827 855271527 /nfs/dbraw/zinc/27/15/27/855271527.db2.gz MVPIIJBPCBUJRX-QFIPXVFZSA-N 1 0 399.560 3.676 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1=O ZINC000473987499 855272807 /nfs/dbraw/zinc/27/28/07/855272807.db2.gz NZYJAIJRQHGZIO-OALUTQOASA-N 1 0 399.535 3.590 20 30 GHEDRO COc1ccccc1-c1noc([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)n1 ZINC000273366022 855311559 /nfs/dbraw/zinc/31/15/59/855311559.db2.gz KGKMJFQBGFTLNF-HNNXBMFYSA-N 1 0 378.432 3.737 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)c(Br)c1 ZINC000590192535 855315894 /nfs/dbraw/zinc/31/58/94/855315894.db2.gz FAYZLFWVBUJSFD-CYBMUJFWSA-N 1 0 396.304 3.924 20 30 GHEDRO N#CC1(CC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)CC1 ZINC000590286862 855346972 /nfs/dbraw/zinc/34/69/72/855346972.db2.gz KPSBJUKWSYLNJB-KRWDZBQOSA-N 1 0 379.426 3.593 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000624124229 862671703 /nfs/dbraw/zinc/67/17/03/862671703.db2.gz AQJDPIXULNGGKP-IRLDBZIGSA-N 1 0 397.563 3.523 20 30 GHEDRO N#CC1(CC(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000590413995 855396868 /nfs/dbraw/zinc/39/68/68/855396868.db2.gz HTRGTWQKXPBKQL-JOCHJYFZSA-N 1 0 388.515 3.769 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000536417250 855412018 /nfs/dbraw/zinc/41/20/18/855412018.db2.gz JAJVFOBJMBUFJH-SFHVURJKSA-N 1 0 376.500 3.788 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C#N)cn1 ZINC000590453299 855428276 /nfs/dbraw/zinc/42/82/76/855428276.db2.gz SESIIAOPRXFAFI-JOCHJYFZSA-N 1 0 390.531 3.759 20 30 GHEDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)C2 ZINC000590539726 855469186 /nfs/dbraw/zinc/46/91/86/855469186.db2.gz ZOIYYPWQFLEVSD-UHFFFAOYSA-N 1 0 377.513 3.628 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000590889423 855626496 /nfs/dbraw/zinc/62/64/96/855626496.db2.gz SCAXQVKEEPFBNP-OAQYLSRUSA-N 1 0 377.488 3.692 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273528801 855641078 /nfs/dbraw/zinc/64/10/78/855641078.db2.gz RCZABPJTPNBAGU-CTNGQTDRSA-N 1 0 381.451 3.878 20 30 GHEDRO N#Cc1cc(NCC[N@@H+]2CCc3sccc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301378040 855681762 /nfs/dbraw/zinc/68/17/62/855681762.db2.gz SHHCGDZZCZZZGQ-UHFFFAOYSA-N 1 0 379.445 3.546 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4cc[nH]c(=O)c4C3)sc2C1 ZINC000330270754 862709949 /nfs/dbraw/zinc/70/99/49/862709949.db2.gz UTMULJQNSWOFKS-ZDUSSCGKSA-N 1 0 396.516 3.882 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@H](c3cccc(F)c3)C3CCCC3)n2)CC1 ZINC000330272949 862711466 /nfs/dbraw/zinc/71/14/66/862711466.db2.gz YKIRVESIHXBDQY-NRFANRHFSA-N 1 0 399.514 3.968 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301542023 855713839 /nfs/dbraw/zinc/71/38/39/855713839.db2.gz NQQKXJWQBHHGJP-MRXNPFEDSA-N 1 0 387.443 3.725 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2snc(Cl)c2C#N)CCOCC1)c1ccccc1 ZINC000301559618 855715301 /nfs/dbraw/zinc/71/53/01/855715301.db2.gz IMGJVJBOBPDNPJ-ZDUSSCGKSA-N 1 0 376.913 3.980 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)cc1 ZINC000591049123 855736672 /nfs/dbraw/zinc/73/66/72/855736672.db2.gz VKKPBZKYRGCSAJ-FYYLOGMGSA-N 1 0 376.500 3.762 20 30 GHEDRO C[NH+](C)CCOc1cc(CNc2c(C#N)cnc3ccc(Cl)cc32)ccn1 ZINC000301881195 855775441 /nfs/dbraw/zinc/77/54/41/855775441.db2.gz MBWWYKOSLOXGHW-UHFFFAOYSA-N 1 0 381.867 3.707 20 30 GHEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1C(F)(F)F ZINC000302449876 855866953 /nfs/dbraw/zinc/86/69/53/855866953.db2.gz OVZVDGQQNFWPQM-HXUWFJFHSA-N 1 0 389.421 3.650 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000591286370 855885275 /nfs/dbraw/zinc/88/52/75/855885275.db2.gz VMOCPIILYJMWMC-VDZJLULYSA-N 1 0 380.517 3.958 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591335396 855894296 /nfs/dbraw/zinc/89/42/96/855894296.db2.gz MUCRWYYMIJXJMX-OFNKIYASSA-N 1 0 388.515 3.757 20 30 GHEDRO CCCOc1ccc(OCC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000591415414 855966053 /nfs/dbraw/zinc/96/60/53/855966053.db2.gz FUFHWBKEWIUPNG-UHFFFAOYSA-N 1 0 393.531 3.934 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000108859609 856042826 /nfs/dbraw/zinc/04/28/26/856042826.db2.gz YROZVWURYAHQHN-KZNAEPCWSA-N 1 0 395.503 3.826 20 30 GHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000591482059 856044417 /nfs/dbraw/zinc/04/44/17/856044417.db2.gz JJSZZVYZEGEVDT-IBGZPJMESA-N 1 0 396.466 3.834 20 30 GHEDRO N#Cc1cccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000554739892 856047542 /nfs/dbraw/zinc/04/75/42/856047542.db2.gz NXJMBEPCPCWFGH-LOSJGSFVSA-N 1 0 395.506 3.885 20 30 GHEDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000554748928 856064854 /nfs/dbraw/zinc/06/48/54/856064854.db2.gz DZYJITSORQKGGC-QVKFZJNVSA-N 1 0 389.565 3.558 20 30 GHEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508898713 856073824 /nfs/dbraw/zinc/07/38/24/856073824.db2.gz MFTXJQUOYQHMPJ-HTAPYJJXSA-N 1 0 376.504 3.924 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000303577114 856107937 /nfs/dbraw/zinc/10/79/37/856107937.db2.gz ZMRHROOJSHQEIG-UHFFFAOYSA-N 1 0 398.894 3.891 20 30 GHEDRO CC(C)[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2ccccn21 ZINC000542842427 856111501 /nfs/dbraw/zinc/11/15/01/856111501.db2.gz HEJVYCSUVWNDEA-JOCHJYFZSA-N 1 0 388.519 3.552 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@H](C)[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000674289967 856122424 /nfs/dbraw/zinc/12/24/24/856122424.db2.gz YYYKWSSFZOXHMP-KRWDZBQOSA-N 1 0 396.487 3.506 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000459135229 856124757 /nfs/dbraw/zinc/12/47/57/856124757.db2.gz YMAGDWBKCMVCAE-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO CCOc1cc(C[NH+]2CCC(CC#N)CC2)ccc1OCC(=O)N1CCCCC1 ZINC000542853814 856147488 /nfs/dbraw/zinc/14/74/88/856147488.db2.gz KEVXLANHDOXHFY-UHFFFAOYSA-N 1 0 399.535 3.602 20 30 GHEDRO CSCc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1F ZINC000593881943 862762978 /nfs/dbraw/zinc/76/29/78/862762978.db2.gz FSHGBUKYBNSXBC-UHFFFAOYSA-N 1 0 397.519 3.955 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000171513551 856167561 /nfs/dbraw/zinc/16/75/61/856167561.db2.gz QOLJXUVPRKSLGK-LJQANCHMSA-N 1 0 384.524 3.933 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCSc2ccc(Cl)cc2)cc1 ZINC000591723333 856212738 /nfs/dbraw/zinc/21/27/38/856212738.db2.gz SEGOUSYEJUWZNM-QGZVFWFLSA-N 1 0 376.909 3.528 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(-c2ccc(C#N)cc2)n1 ZINC000665169514 856228668 /nfs/dbraw/zinc/22/86/68/856228668.db2.gz XEAYATSTOQYLET-DEOSSOPVSA-N 1 0 398.466 3.569 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000591771137 856291487 /nfs/dbraw/zinc/29/14/87/856291487.db2.gz OPUMNBMHLWLACK-HKUYNNGSSA-N 1 0 388.920 3.911 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000568873813 856294085 /nfs/dbraw/zinc/29/40/85/856294085.db2.gz FKTRCFVJFPASDA-OAQYLSRUSA-N 1 0 383.492 3.535 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573611174 856315156 /nfs/dbraw/zinc/31/51/56/856315156.db2.gz XEMIOQHDCGMPJK-HXUWFJFHSA-N 1 0 392.503 3.991 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)COc3ccccc3C#N)ccc21 ZINC000109612088 856342568 /nfs/dbraw/zinc/34/25/68/856342568.db2.gz ABAHNRAZAKMDDX-UHFFFAOYSA-N 1 0 390.487 3.872 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000591810757 856349780 /nfs/dbraw/zinc/34/97/80/856349780.db2.gz JBMGNPMBMYRUNG-ZJSXRUAMSA-N 1 0 397.515 3.627 20 30 GHEDRO COCC[NH+]1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000141434851 856411947 /nfs/dbraw/zinc/41/19/47/856411947.db2.gz MXIKQXOYKUYLSN-UHFFFAOYSA-N 1 0 395.528 3.550 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000110172882 856464926 /nfs/dbraw/zinc/46/49/26/856464926.db2.gz YPBHQRUCKQWEBQ-FQEVSTJZSA-N 1 0 381.476 3.654 20 30 GHEDRO O=C(N1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1)C(F)(F)C(F)(F)F ZINC001273130082 862821058 /nfs/dbraw/zinc/82/10/58/862821058.db2.gz PINBKARQEZMOKH-GFCCVEGCSA-N 1 0 396.322 3.841 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183537 856683416 /nfs/dbraw/zinc/68/34/16/856683416.db2.gz JQIKNVPISBEVOM-IAGOWNOFSA-N 1 0 387.549 3.768 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139526 856689864 /nfs/dbraw/zinc/68/98/64/856689864.db2.gz LGQSIDTWXKWDSG-QFIPXVFZSA-N 1 0 377.488 3.550 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592176714 856761102 /nfs/dbraw/zinc/76/11/02/856761102.db2.gz CFTSAMFKCLXSPZ-QFIPXVFZSA-N 1 0 375.472 3.546 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](CO)C2CCCCC2)c1C#N ZINC000542911053 856762893 /nfs/dbraw/zinc/76/28/93/856762893.db2.gz TUSZSUBHFXDGQI-HXUWFJFHSA-N 1 0 386.540 3.561 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1 ZINC000592296865 856768147 /nfs/dbraw/zinc/76/81/47/856768147.db2.gz LGIKFJQFBYVRPQ-UHFFFAOYSA-N 1 0 385.430 3.554 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000605153856 862840389 /nfs/dbraw/zinc/84/03/89/862840389.db2.gz CWCOKEOIFDKYHO-NFBKMPQASA-N 1 0 399.556 3.954 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000058525629 856955681 /nfs/dbraw/zinc/95/56/81/856955681.db2.gz MUZIGOPKPFXNRX-VXKWHMMOSA-N 1 0 381.516 3.871 20 30 GHEDRO C[C@H]1CCN(C(=O)CSc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173515176 856968522 /nfs/dbraw/zinc/96/85/22/856968522.db2.gz VXTDVCJXNCPWDS-SFHVURJKSA-N 1 0 379.529 3.773 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000508158240 857012392 /nfs/dbraw/zinc/01/23/92/857012392.db2.gz NGHBMZDEMBFSJX-IBGZPJMESA-N 1 0 398.551 3.766 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1Br ZINC000007879229 857023580 /nfs/dbraw/zinc/02/35/80/857023580.db2.gz XRHSLVFVOZQACH-GFCCVEGCSA-N 1 0 388.265 3.619 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1Br ZINC000007879291 857023639 /nfs/dbraw/zinc/02/36/39/857023639.db2.gz VYJRLIXWMQSCIR-LBPRGKRZSA-N 1 0 388.265 3.619 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181407805 862865714 /nfs/dbraw/zinc/86/57/14/862865714.db2.gz UBDGNGWKFIDPEU-AVRDEDQJSA-N 1 0 394.515 3.632 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000592772588 857060304 /nfs/dbraw/zinc/06/03/04/857060304.db2.gz MHRARZNAHQVPPZ-OIBXWCBGSA-N 1 0 375.516 3.786 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000733327752 862869403 /nfs/dbraw/zinc/86/94/03/862869403.db2.gz VWVYXWBQWPDWQI-LJQANCHMSA-N 1 0 391.515 3.806 20 30 GHEDRO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485809632 857111243 /nfs/dbraw/zinc/11/12/43/857111243.db2.gz AURACFFMENSXGP-LJQANCHMSA-N 1 0 385.414 3.787 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1cccs1 ZINC000888412559 857181495 /nfs/dbraw/zinc/18/14/95/857181495.db2.gz NFZNWPUKKBRLSL-ZWNOBZJWSA-N 1 0 395.941 3.934 20 30 GHEDRO N#Cc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000112716528 857190703 /nfs/dbraw/zinc/19/07/03/857190703.db2.gz HTPPLZYSXJCAKF-UHFFFAOYSA-N 1 0 376.504 3.934 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC000888412785 857190736 /nfs/dbraw/zinc/19/07/36/857190736.db2.gz VDLWBEJPERCXBM-CHWSQXEVSA-N 1 0 381.933 3.786 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1-c1ccnn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508355436 857217595 /nfs/dbraw/zinc/21/75/95/857217595.db2.gz SDAFJBOTPFGQIV-GOSISDBHSA-N 1 0 399.502 3.812 20 30 GHEDRO CCN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000157697035 857228037 /nfs/dbraw/zinc/22/80/37/857228037.db2.gz DVFVXBJTEPOUFB-LJQANCHMSA-N 1 0 396.466 3.856 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888414133 857239324 /nfs/dbraw/zinc/23/93/24/857239324.db2.gz NYZNEODSQUIZAI-UHFFFAOYSA-N 1 0 397.854 3.796 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@]2(C#N)CC3CCC2CC3)CCOCC1)c1ccccc1 ZINC000906690360 857243423 /nfs/dbraw/zinc/24/34/23/857243423.db2.gz FWNBYCQLCPHGNC-NNESSARFSA-N 1 0 395.547 3.723 20 30 GHEDRO Cc1cccc(C)c1OCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046325428 857300806 /nfs/dbraw/zinc/30/08/06/857300806.db2.gz WKDKMJNHNJBTJK-UHFFFAOYSA-N 1 0 391.515 3.679 20 30 GHEDRO CCN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000174661110 857358066 /nfs/dbraw/zinc/35/80/66/857358066.db2.gz HBCSGAUBTRSXAM-LJQANCHMSA-N 1 0 390.531 3.529 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429252771 857376630 /nfs/dbraw/zinc/37/66/30/857376630.db2.gz GNYGIRVFBKQWRE-AWEZNQCLSA-N 1 0 394.357 3.676 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246441670 857380835 /nfs/dbraw/zinc/38/08/35/857380835.db2.gz UEBULYUIGTYIQN-ICSRJNTNSA-N 1 0 382.533 3.844 20 30 GHEDRO N#Cc1sc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)nc1Cl ZINC000888416259 857390165 /nfs/dbraw/zinc/39/01/65/857390165.db2.gz ZGDGUQZRTLUMOH-UHFFFAOYSA-N 1 0 381.933 3.788 20 30 GHEDRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174891932 857402969 /nfs/dbraw/zinc/40/29/69/857402969.db2.gz AYKXUQPSSYLCLR-PMACEKPBSA-N 1 0 390.531 3.968 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000246641936 857421481 /nfs/dbraw/zinc/42/14/81/857421481.db2.gz KVKQHIATOKARJE-REWPJTCUSA-N 1 0 389.499 3.694 20 30 GHEDRO C[C@H](CCc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000042928533 857460707 /nfs/dbraw/zinc/46/07/07/857460707.db2.gz NWJRKAPYQANACU-LJQANCHMSA-N 1 0 378.520 3.653 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000282228759 857473775 /nfs/dbraw/zinc/47/37/75/857473775.db2.gz JGAFBVXOQRFNRH-UXHICEINSA-N 1 0 394.567 3.541 20 30 GHEDRO COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000137561520 857510040 /nfs/dbraw/zinc/51/00/40/857510040.db2.gz UNBHRRAIARHFBA-LBPRGKRZSA-N 1 0 375.831 3.818 20 30 GHEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000486179080 857518617 /nfs/dbraw/zinc/51/86/17/857518617.db2.gz SHSRSLGOOSGOLX-RDTXWAMCSA-N 1 0 383.879 3.927 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C#N)cc2C)CC1 ZINC000438913242 857679585 /nfs/dbraw/zinc/67/95/85/857679585.db2.gz QULAYQRKWWBCEI-QGZVFWFLSA-N 1 0 394.494 3.639 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)C1=O ZINC000499603348 857705252 /nfs/dbraw/zinc/70/52/52/857705252.db2.gz RISYQXMGSVXPTD-LEWJYISDSA-N 1 0 394.515 3.673 20 30 GHEDRO N#CC1(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000593778412 857721961 /nfs/dbraw/zinc/72/19/61/857721961.db2.gz QUVGDDCHGWLJGX-IBGZPJMESA-N 1 0 379.426 3.641 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000521212672 857738180 /nfs/dbraw/zinc/73/81/80/857738180.db2.gz HTLLRWZUEZBZOB-UTKZUKDTSA-N 1 0 376.460 3.875 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1nc2ccccc2s1 ZINC000065931300 857882447 /nfs/dbraw/zinc/88/24/47/857882447.db2.gz HBPLNOVAICBPQZ-UHFFFAOYSA-N 1 0 392.528 3.691 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)cc1 ZINC000521348396 857908897 /nfs/dbraw/zinc/90/88/97/857908897.db2.gz LKEMTMBFWKKIEA-SJORKVTESA-N 1 0 388.870 3.798 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1Cl ZINC000114193932 857935883 /nfs/dbraw/zinc/93/58/83/857935883.db2.gz LCXWDKQOJRBCCY-HXUWFJFHSA-N 1 0 383.879 3.522 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000521406093 857943921 /nfs/dbraw/zinc/94/39/21/857943921.db2.gz IANKJKRFHSOWEH-ROUUACIJSA-N 1 0 376.460 3.732 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCC1CCC(C#N)CC1 ZINC000442648918 858025595 /nfs/dbraw/zinc/02/55/95/858025595.db2.gz NCZDJVNTFVKAPU-VCAKUFKGSA-N 1 0 382.552 3.772 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168596840 858063583 /nfs/dbraw/zinc/06/35/83/858063583.db2.gz POAAGACMXKLLIX-ROUUACIJSA-N 1 0 389.616 3.887 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000466055494 858065191 /nfs/dbraw/zinc/06/51/91/858065191.db2.gz ZBTWLZGNXCZRFN-VGOFRKELSA-N 1 0 394.494 3.892 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCSc1ccc(Br)cc1 ZINC000521517510 858068669 /nfs/dbraw/zinc/06/86/69/858068669.db2.gz HXIQLFYBOKFUSV-UHFFFAOYSA-N 1 0 398.370 3.625 20 30 GHEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000594351294 858101756 /nfs/dbraw/zinc/10/17/56/858101756.db2.gz OXGLMEDUWGPFJW-IBGZPJMESA-N 1 0 397.544 3.532 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000521583055 858144663 /nfs/dbraw/zinc/14/46/63/858144663.db2.gz YGQZGQKYJVYWLD-UHFFFAOYSA-N 1 0 395.931 3.587 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CCC3)cc1 ZINC000594434892 858176523 /nfs/dbraw/zinc/17/65/23/858176523.db2.gz VUTOIHYTFVBSLI-IRXDYDNUSA-N 1 0 398.532 3.724 20 30 GHEDRO CC(C)(C#N)c1ccc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000594505705 858196373 /nfs/dbraw/zinc/19/63/73/858196373.db2.gz WMECHCNJNAZYRS-FQEVSTJZSA-N 1 0 390.531 3.797 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(OC)c3)C2)cc(OC)c1 ZINC000442878521 858200595 /nfs/dbraw/zinc/20/05/95/858200595.db2.gz FYCOIXXCVMYJIJ-GOSISDBHSA-N 1 0 381.476 3.661 20 30 GHEDRO CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000594513155 858205125 /nfs/dbraw/zinc/20/51/25/858205125.db2.gz LMYGDIBXTBCSOM-OAQYLSRUSA-N 1 0 385.552 3.726 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000594721461 858263370 /nfs/dbraw/zinc/26/33/70/858263370.db2.gz GUQFZIMYJSNKEY-OAQYLSRUSA-N 1 0 397.906 3.680 20 30 GHEDRO CC(C)[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000078876163 858280386 /nfs/dbraw/zinc/28/03/86/858280386.db2.gz CPEPZVIYOHRARU-QFIPXVFZSA-N 1 0 385.552 3.980 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@H](c3cccc(F)c3)N3CCOCC3)cc2)CC1 ZINC000594918848 858303979 /nfs/dbraw/zinc/30/39/79/858303979.db2.gz TYEPFZIZXQGKHL-JOCHJYFZSA-N 1 0 379.479 3.544 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000594936199 858339614 /nfs/dbraw/zinc/33/96/14/858339614.db2.gz VKKPSVIJBPULEG-TZIWHRDSSA-N 1 0 379.891 3.957 20 30 GHEDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000594960264 858345841 /nfs/dbraw/zinc/34/58/41/858345841.db2.gz INTNBVSBXJKPDI-ZIHSNCGMSA-N 1 0 382.529 3.917 20 30 GHEDRO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000521820474 858354838 /nfs/dbraw/zinc/35/48/38/858354838.db2.gz ASVRATOKZUYESI-JOCHJYFZSA-N 1 0 377.488 3.800 20 30 GHEDRO CC(=O)Nc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000521822463 858355862 /nfs/dbraw/zinc/35/58/62/858355862.db2.gz QIXVXXCHGZSIOK-UHFFFAOYSA-N 1 0 378.476 3.613 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1(c3cccc(C#N)c3)CCOCC1)O[C@@H](C)C2 ZINC000594984134 858357891 /nfs/dbraw/zinc/35/78/91/858357891.db2.gz NDGRAZUJSDMTOH-INIZCTEOSA-N 1 0 378.472 3.686 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC000595056750 858366182 /nfs/dbraw/zinc/36/61/82/858366182.db2.gz VTGYERSHIKNDGY-FCHUYYIVSA-N 1 0 382.529 3.784 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000521834600 858371299 /nfs/dbraw/zinc/37/12/99/858371299.db2.gz DFHBTCDHNBRLSW-BTYIYWSLSA-N 1 0 378.476 3.565 20 30 GHEDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000595047711 858379285 /nfs/dbraw/zinc/37/92/85/858379285.db2.gz FOUPEROVGODAOV-XUZZJYLKSA-N 1 0 394.515 3.544 20 30 GHEDRO Cc1nc(SCC(=O)N2CCC(CCC[NH+](C)C)CC2)c(C#N)c(C)c1C ZINC000132402775 858446855 /nfs/dbraw/zinc/44/68/55/858446855.db2.gz GWHAESFEOXMLQS-UHFFFAOYSA-N 1 0 388.581 3.551 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595232999 858447560 /nfs/dbraw/zinc/44/75/60/858447560.db2.gz GYRSKEDZEGDVKG-QZTJIDSGSA-N 1 0 383.471 3.521 20 30 GHEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)c1cccs1 ZINC000439135995 858483996 /nfs/dbraw/zinc/48/39/96/858483996.db2.gz WSPYBJDRWPPEHL-CYBMUJFWSA-N 1 0 376.407 3.722 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CCc1ccc(Br)cc1 ZINC000575129868 858574474 /nfs/dbraw/zinc/57/44/74/858574474.db2.gz BSRLGXVFUFSNRJ-UHFFFAOYSA-N 1 0 386.293 3.824 20 30 GHEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCC(C)CC1 ZINC000522074061 858593078 /nfs/dbraw/zinc/59/30/78/858593078.db2.gz QTSKKXAVNRNWEY-PELRDEGISA-N 1 0 398.551 3.668 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000281445302 863042544 /nfs/dbraw/zinc/04/25/44/863042544.db2.gz FPSIGXZBODILLG-YJMBLLCNSA-N 1 0 385.552 3.662 20 30 GHEDRO C[C@@H](OCCCNC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)c1ccccc1 ZINC000595634528 858625205 /nfs/dbraw/zinc/62/52/05/858625205.db2.gz DQJZJCRBICXSQY-GOSISDBHSA-N 1 0 379.504 3.667 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595709740 858654426 /nfs/dbraw/zinc/65/44/26/858654426.db2.gz ZFIAPGBPWAWBCP-SQGPQFPESA-N 1 0 377.488 3.648 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(Br)c1 ZINC000595748433 858673968 /nfs/dbraw/zinc/67/39/68/858673968.db2.gz UPBIQFZGIHJJGY-RBUKOAKNSA-N 1 0 385.305 3.919 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000595819919 858682711 /nfs/dbraw/zinc/68/27/11/858682711.db2.gz RDERVBWNOBBMJN-MRLCAUJQSA-N 1 0 375.488 3.837 20 30 GHEDRO C[C@@H]1CCc2ccccc2N1C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595775789 858684132 /nfs/dbraw/zinc/68/41/32/858684132.db2.gz YQWTWGWOKVYZHG-GOSISDBHSA-N 1 0 389.499 3.521 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000595781461 858686357 /nfs/dbraw/zinc/68/63/57/858686357.db2.gz UFCVUZXFAXDGMS-IBGZPJMESA-N 1 0 396.535 3.518 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000595827335 858700601 /nfs/dbraw/zinc/70/06/01/858700601.db2.gz COZDBCWFRWJVIM-UHFFFAOYSA-N 1 0 375.472 3.747 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000595880404 858704119 /nfs/dbraw/zinc/70/41/19/858704119.db2.gz YOJBUKQMGWTWPT-QHCPKHFHSA-N 1 0 386.499 3.631 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593126430 858720444 /nfs/dbraw/zinc/72/04/44/858720444.db2.gz VDTVAJFXTUHMKO-FKBYEOEOSA-N 1 0 375.472 3.881 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2nc3ncccc3cc2C#N)CCOCC1)c1ccccc1 ZINC000596125572 858786016 /nfs/dbraw/zinc/78/60/16/858786016.db2.gz BXASCILEDSVSLB-KRWDZBQOSA-N 1 0 387.487 3.813 20 30 GHEDRO CC1(C)C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)(C)O1 ZINC000132679109 858789530 /nfs/dbraw/zinc/78/95/30/858789530.db2.gz YLXKOSCKFPLLEL-MRXNPFEDSA-N 1 0 375.538 3.763 20 30 GHEDRO N#Cc1cc2cccnc2nc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000596150469 858792938 /nfs/dbraw/zinc/79/29/38/858792938.db2.gz BNFAADUFASUOLT-XMMPIXPASA-N 1 0 383.499 3.994 20 30 GHEDRO COc1cccc([C@@H](C)[NH+]2CCN(c3cc(C)c([N+](=O)[O-])c(C#N)c3)CC2)c1 ZINC000596107296 858795157 /nfs/dbraw/zinc/79/51/57/858795157.db2.gz MEBIZXAVCWIBJV-MRXNPFEDSA-N 1 0 380.448 3.667 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)NCC2(C#N)CCCCC2)CCOCC1)c1ccccc1 ZINC000596301953 858837503 /nfs/dbraw/zinc/83/75/03/858837503.db2.gz OCGQWFDZLRCFMF-IBGZPJMESA-N 1 0 398.551 3.660 20 30 GHEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 ZINC000543594545 858892368 /nfs/dbraw/zinc/89/23/68/858892368.db2.gz JEDIJABBSWHHEM-INIZCTEOSA-N 1 0 376.497 3.749 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)NC(C)(C)c2cccc(C#N)c2)CC1 ZINC000596454566 858914687 /nfs/dbraw/zinc/91/46/87/858914687.db2.gz UKCZEASXKQCTIL-UHFFFAOYSA-N 1 0 391.519 3.757 20 30 GHEDRO CCN(C(=O)NCCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000596670208 858984074 /nfs/dbraw/zinc/98/40/74/858984074.db2.gz BLWJMDRZAFXTHO-WMZHIEFXSA-N 1 0 390.531 3.968 20 30 GHEDRO N#Cc1c(F)cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000596674891 858999322 /nfs/dbraw/zinc/99/93/22/858999322.db2.gz YCEQBQCSQIKBCD-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO Cc1cc(C)c(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)n1 ZINC000593216562 859000978 /nfs/dbraw/zinc/00/09/78/859000978.db2.gz XMYFKDWAVPWULL-UHFFFAOYSA-N 1 0 377.492 3.665 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@@H](CC#N)C2)ccc1OC ZINC000596711715 859025272 /nfs/dbraw/zinc/02/52/72/859025272.db2.gz NVMITIUTHUOXRZ-KRWDZBQOSA-N 1 0 388.512 3.573 20 30 GHEDRO CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000596713974 859026808 /nfs/dbraw/zinc/02/68/08/859026808.db2.gz NBHPKAHYTHQSOA-GOSISDBHSA-N 1 0 394.475 3.917 20 30 GHEDRO CCCC[N@H+](C)CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000112464747 859034710 /nfs/dbraw/zinc/03/47/10/859034710.db2.gz JSPIMNUPCWQVIU-UHFFFAOYSA-N 1 0 393.491 3.664 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185384308 859077831 /nfs/dbraw/zinc/07/78/31/859077831.db2.gz SKXWVIKZSNYCTN-YADHBBJMSA-N 1 0 390.593 3.710 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@H](C)CC#N)cc3)CC2)c1 ZINC000596794113 859079190 /nfs/dbraw/zinc/07/91/90/859079190.db2.gz PMGCZFOCTMLFIX-IBGZPJMESA-N 1 0 376.504 3.806 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000654431597 859082648 /nfs/dbraw/zinc/08/26/48/859082648.db2.gz SESIKMJIZHGRKZ-UHFFFAOYSA-N 1 0 383.414 3.524 20 30 GHEDRO C=CCC(F)(F)C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923168691 859096186 /nfs/dbraw/zinc/09/61/86/859096186.db2.gz RDELFXMGFGZHAH-GOSISDBHSA-N 1 0 378.463 3.528 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160652838 859097481 /nfs/dbraw/zinc/09/74/81/859097481.db2.gz IUGSFAMYUUCPPW-NRFANRHFSA-N 1 0 382.483 3.944 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000596909064 859163399 /nfs/dbraw/zinc/16/33/99/859163399.db2.gz BLKQIKCVPUEBGJ-INIZCTEOSA-N 1 0 393.491 3.987 20 30 GHEDRO N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4c[nH+]cn4c3)s2)cc1 ZINC000550552619 859165991 /nfs/dbraw/zinc/16/59/91/859165991.db2.gz NYRDACHJYLURTD-UHFFFAOYSA-N 1 0 392.469 3.602 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116817334 859175320 /nfs/dbraw/zinc/17/53/20/859175320.db2.gz SFXADUJVEYPNFY-AWEZNQCLSA-N 1 0 387.867 3.558 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596955012 859193295 /nfs/dbraw/zinc/19/32/95/859193295.db2.gz ONFJBDDICZEHJC-OAQYLSRUSA-N 1 0 394.475 3.567 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1OC(F)(F)F ZINC000025255489 859206171 /nfs/dbraw/zinc/20/61/71/859206171.db2.gz NMGIHSHCMCNADO-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)cc2)CC1 ZINC000596993682 859233800 /nfs/dbraw/zinc/23/38/00/859233800.db2.gz VTHZHCYTDKKQPI-HXUWFJFHSA-N 1 0 378.451 3.777 20 30 GHEDRO CC(C)N(C)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000483297420 859277640 /nfs/dbraw/zinc/27/76/40/859277640.db2.gz OUKRNKSQLUIKNW-UHFFFAOYSA-N 1 0 391.519 3.649 20 30 GHEDRO O=C1c2ccccc2C(Nc2ccc(O[C@H]3CCC[NH2+]C3)nn2)=C1c1ccccc1 ZINC001168410928 859358281 /nfs/dbraw/zinc/35/82/81/859358281.db2.gz OUJZCRYQQIUUGM-KRWDZBQOSA-N 1 0 398.466 3.784 20 30 GHEDRO N#Cc1ccccc1OCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593312183 859362991 /nfs/dbraw/zinc/36/29/91/859362991.db2.gz NTHPLQHDHBGTPE-UHFFFAOYSA-N 1 0 381.501 3.764 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000429437953 859372903 /nfs/dbraw/zinc/37/29/03/859372903.db2.gz QGGPXCCDLDWVPN-DZGCQCFKSA-N 1 0 391.284 3.962 20 30 GHEDRO COC(=O)CC[N@H+](Cc1cccc(Br)c1)Cc1cccc(C#N)c1 ZINC000483443012 859379206 /nfs/dbraw/zinc/37/92/06/859379206.db2.gz SSUSAAGRTXRIJP-UHFFFAOYSA-N 1 0 387.277 3.886 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C(C)(C)C)c(OC)c1 ZINC000474157773 859380847 /nfs/dbraw/zinc/38/08/47/859380847.db2.gz CQTFJQPLBRFWAI-LJQANCHMSA-N 1 0 398.503 3.616 20 30 GHEDRO CSc1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593316537 859393813 /nfs/dbraw/zinc/39/38/13/859393813.db2.gz KFIZNOWRYJLNIC-UHFFFAOYSA-N 1 0 394.544 3.744 20 30 GHEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)C1=O ZINC000499733608 859397454 /nfs/dbraw/zinc/39/74/54/859397454.db2.gz KYYXTLSPOWKLKG-QFBILLFUSA-N 1 0 397.544 3.785 20 30 GHEDRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)s1 ZINC000597252035 859398004 /nfs/dbraw/zinc/39/80/04/859398004.db2.gz HVRYPOAFKHTPBS-INIZCTEOSA-N 1 0 381.501 3.864 20 30 GHEDRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000483522329 859434506 /nfs/dbraw/zinc/43/45/06/859434506.db2.gz FOJYEUHOVJXOMZ-UHFFFAOYSA-N 1 0 375.451 3.514 20 30 GHEDRO C=C(C)C[C@@H](C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000466430284 859463306 /nfs/dbraw/zinc/46/33/06/859463306.db2.gz DRIXLGNPJOMFMM-OAHLLOKOSA-N 1 0 383.458 3.676 20 30 GHEDRO C[NH+](C)CCc1ccc(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)cc1 ZINC000466437126 859484767 /nfs/dbraw/zinc/48/47/67/859484767.db2.gz XGHZSDUVZCADSN-UHFFFAOYSA-N 1 0 396.441 3.846 20 30 GHEDRO Cc1nc(C(C)C)sc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352735 859536175 /nfs/dbraw/zinc/53/61/75/859536175.db2.gz AIQDLAPOISBDJH-UHFFFAOYSA-N 1 0 382.533 3.841 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000593353176 859538038 /nfs/dbraw/zinc/53/80/38/859538038.db2.gz PALHIRUDCLKSPG-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(OCC4CC4)cc3)CC2)c1 ZINC000593355413 859543669 /nfs/dbraw/zinc/54/36/69/859543669.db2.gz PMLHZPBNLRZEAX-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000474215853 859621193 /nfs/dbraw/zinc/62/11/93/859621193.db2.gz NIJDNPRQSQBNLX-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)cc1OCCCC#N ZINC000114510786 859656222 /nfs/dbraw/zinc/65/62/22/859656222.db2.gz CNJINLCINQIVIC-HXUWFJFHSA-N 1 0 393.487 3.663 20 30 GHEDRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000611229889 859660707 /nfs/dbraw/zinc/66/07/07/859660707.db2.gz ODQSDIUZGUPACW-QRVBRYPASA-N 1 0 376.504 3.924 20 30 GHEDRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000611229890 859660712 /nfs/dbraw/zinc/66/07/12/859660712.db2.gz ODQSDIUZGUPACW-QYZOEREBSA-N 1 0 376.504 3.924 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000611323563 859697370 /nfs/dbraw/zinc/69/73/70/859697370.db2.gz WLVSIYDRSCRWPJ-SJORKVTESA-N 1 0 392.565 3.562 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)CCC2 ZINC000611350246 859713716 /nfs/dbraw/zinc/71/37/16/859713716.db2.gz FZDMFEJRLQLTQN-CVEARBPZSA-N 1 0 387.549 3.576 20 30 GHEDRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611389395 859733237 /nfs/dbraw/zinc/73/32/37/859733237.db2.gz VMDWXMUFVMEXBG-HTAPYJJXSA-N 1 0 377.488 3.971 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000611394099 859735884 /nfs/dbraw/zinc/73/58/84/859735884.db2.gz GQNLIKDCNKMKHD-LJQANCHMSA-N 1 0 398.304 3.718 20 30 GHEDRO CCOC(=O)COc1ccc(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611394460 859736020 /nfs/dbraw/zinc/73/60/20/859736020.db2.gz KDUTXGXZRVEWQL-QFIPXVFZSA-N 1 0 378.472 3.710 20 30 GHEDRO C[C@H]1CN(Cc2cccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391257 859742146 /nfs/dbraw/zinc/74/21/46/859742146.db2.gz LIKPGQIJZJRFGM-UUOWRZLLSA-N 1 0 375.516 3.946 20 30 GHEDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)CSCc1ccc(C#N)cc1)CC2 ZINC000597703786 859752812 /nfs/dbraw/zinc/75/28/12/859752812.db2.gz JZZNIKMQXZRIND-UHFFFAOYSA-N 1 0 385.577 3.904 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1c(C)nn(C)c1C ZINC000543456404 859769485 /nfs/dbraw/zinc/76/94/85/859769485.db2.gz GFEZMXQBEYBVDP-YOEHRIQHSA-N 1 0 399.564 3.968 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000597860977 859876698 /nfs/dbraw/zinc/87/66/98/859876698.db2.gz QPSJUGHSQHQXPU-KRWDZBQOSA-N 1 0 381.476 3.580 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000091792442 859934179 /nfs/dbraw/zinc/93/41/79/859934179.db2.gz ONFDQVRCGMCEPP-UHFFFAOYSA-N 1 0 375.451 3.800 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H]([NH+]3CCCC3)C2)c1=S ZINC000727169653 859981754 /nfs/dbraw/zinc/98/17/54/859981754.db2.gz MMIXNSBSODOUIL-IBGZPJMESA-N 1 0 383.565 3.703 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O)C(C)C ZINC000484453097 860016217 /nfs/dbraw/zinc/01/62/17/860016217.db2.gz DYMPMHBLPRQAGD-PCCBWWKXSA-N 1 0 381.520 3.853 20 30 GHEDRO C[C@H](c1cccs1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510276 860049730 /nfs/dbraw/zinc/04/97/30/860049730.db2.gz LLHGEWRGWSVSAP-MRXNPFEDSA-N 1 0 382.533 3.987 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3nc(C(F)(F)F)ccc3C#N)CC2)c1 ZINC000593514940 860092928 /nfs/dbraw/zinc/09/29/28/860092928.db2.gz HEIYDDSPPYTSEK-UHFFFAOYSA-N 1 0 385.393 3.920 20 30 GHEDRO CCN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCOC(C)(C)C1 ZINC000593515100 860096434 /nfs/dbraw/zinc/09/64/34/860096434.db2.gz HTRPJBQYZCCQBP-NRFANRHFSA-N 1 0 398.551 3.512 20 30 GHEDRO CCOC(=O)[C@H](CCC(C)(C)C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000544364865 860114376 /nfs/dbraw/zinc/11/43/76/860114376.db2.gz AUWQFCGITDYSMG-NRFANRHFSA-N 1 0 385.552 3.870 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)o1 ZINC000092736304 860117015 /nfs/dbraw/zinc/11/70/15/860117015.db2.gz SRMXZOHGIRCFNO-UHFFFAOYSA-N 1 0 388.265 3.764 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(c3nccc(Cl)n3)CC2)CC1 ZINC001170388766 881503922 /nfs/dbraw/zinc/50/39/22/881503922.db2.gz DNZMHXRBAKFIQJ-UHFFFAOYSA-N 1 0 381.911 3.656 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(COc3cccc(Cl)c3Cl)no1)C2 ZINC000904126745 860151803 /nfs/dbraw/zinc/15/18/03/860151803.db2.gz VFIZWJBDGQRLOU-VVHFOWEKSA-N 1 0 379.247 3.562 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(OC)c1 ZINC000557021554 881506858 /nfs/dbraw/zinc/50/68/58/881506858.db2.gz CZECFYXKTSUAJK-FPOVZHCZSA-N 1 0 385.479 3.792 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000484634285 860185857 /nfs/dbraw/zinc/18/58/57/860185857.db2.gz GJCZJXUHQXLUFS-FGZHOGPDSA-N 1 0 398.528 3.620 20 30 GHEDRO N#Cc1cccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)n1 ZINC000602637163 860187841 /nfs/dbraw/zinc/18/78/41/860187841.db2.gz LIHNTUZOONPGQZ-UHFFFAOYSA-N 1 0 377.366 3.647 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000484628493 860202366 /nfs/dbraw/zinc/20/23/66/860202366.db2.gz HUKIWTKEHAVGBB-ROUUACIJSA-N 1 0 391.556 3.616 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000484690572 860275386 /nfs/dbraw/zinc/27/53/86/860275386.db2.gz PLOAUUONJWWBDV-QUCCMNQESA-N 1 0 397.519 3.695 20 30 GHEDRO N#C[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC12CCCC2 ZINC000598396999 860278451 /nfs/dbraw/zinc/27/84/51/860278451.db2.gz RIJDLGIDFSXNTD-HYBUGGRVSA-N 1 0 377.532 3.879 20 30 GHEDRO C[NH+](C)C1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000602798094 860284110 /nfs/dbraw/zinc/28/41/10/860284110.db2.gz XKQHPVAYFYGWDJ-UHFFFAOYSA-N 1 0 378.476 3.547 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602875231 860331226 /nfs/dbraw/zinc/33/12/26/860331226.db2.gz XYSIHTMJNGKUHZ-VQIMIIECSA-N 1 0 388.581 3.539 20 30 GHEDRO CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCC(Nc3ccccc3C#N)CC2)C1 ZINC000602900247 860352053 /nfs/dbraw/zinc/35/20/53/860352053.db2.gz NKNVEHLNKJZMMQ-GOSISDBHSA-N 1 0 382.552 3.719 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)cc1 ZINC000765627496 860358517 /nfs/dbraw/zinc/35/85/17/860358517.db2.gz WIHLQJWJWDCCRG-MRXNPFEDSA-N 1 0 388.895 3.994 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000602919884 860367171 /nfs/dbraw/zinc/36/71/71/860367171.db2.gz NWVWLZHWDSAABH-LPTQZCDUSA-N 1 0 399.441 3.720 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170397655 881530273 /nfs/dbraw/zinc/53/02/73/881530273.db2.gz FPOLKTQOVWOVOX-XUZYKVAZSA-N 1 0 381.520 3.942 20 30 GHEDRO Cc1nccc(N(C2CC[NH2+]CC2)C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001170397826 881531847 /nfs/dbraw/zinc/53/18/47/881531847.db2.gz HDSODWYNEQAVCF-UHFFFAOYSA-N 1 0 375.520 3.748 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CC[C@@H](C)C1 ZINC000484896182 860444903 /nfs/dbraw/zinc/44/49/03/860444903.db2.gz RMSIRGJSYDMCNP-CVEARBPZSA-N 1 0 389.565 3.964 20 30 GHEDRO COc1nc(C)cc(C)c1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000598649372 860482548 /nfs/dbraw/zinc/48/25/48/860482548.db2.gz OATABPUUVOZGJZ-UHFFFAOYSA-N 1 0 398.532 3.590 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC2)cc1 ZINC000904513405 860484947 /nfs/dbraw/zinc/48/49/47/860484947.db2.gz DQBSFKVQFRAGEI-UHFFFAOYSA-N 1 0 378.451 3.755 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000552340163 860511677 /nfs/dbraw/zinc/51/16/77/860511677.db2.gz MAOFEDJGCZUHQB-WBVHZDCISA-N 1 0 377.414 3.875 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000509009379 860533602 /nfs/dbraw/zinc/53/36/02/860533602.db2.gz BDJBPRIZQYGIII-FQEVSTJZSA-N 1 0 377.492 3.825 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(-c2ccncc2)n1 ZINC000896229007 860556498 /nfs/dbraw/zinc/55/64/98/860556498.db2.gz XIJIIUOWZJLKNJ-QGZVFWFLSA-N 1 0 393.388 3.725 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N ZINC000922762162 860560832 /nfs/dbraw/zinc/56/08/32/860560832.db2.gz UYIVQCBBHFOCEE-HXUWFJFHSA-N 1 0 399.535 3.905 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(OCC#N)cc2)ccc1OCc1ccncc1 ZINC000061024978 860568513 /nfs/dbraw/zinc/56/85/13/860568513.db2.gz QKOBBRHMHJXABO-UHFFFAOYSA-N 1 0 389.455 3.861 20 30 GHEDRO CCOC[C@H]1Cn2nccc2C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170381677 881557246 /nfs/dbraw/zinc/55/72/46/881557246.db2.gz VPZDSOGCWAEOLT-VWRAKTAISA-N 1 0 378.520 3.756 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000624984625 860616989 /nfs/dbraw/zinc/61/69/89/860616989.db2.gz JSGVWYFPVGBIQJ-LCLWPZTBSA-N 1 0 385.556 3.547 20 30 GHEDRO CO[C@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1(C)C ZINC001170384238 881560887 /nfs/dbraw/zinc/56/08/87/881560887.db2.gz BCLQCTCNVSHREJ-QKAVXHIFSA-N 1 0 389.565 3.866 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000156137354 860690753 /nfs/dbraw/zinc/69/07/53/860690753.db2.gz YXQOZSYIRLVRKD-RXVVDRJESA-N 1 0 395.453 3.963 20 30 GHEDRO CCOc1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(F)cc1OC ZINC000598979892 860713046 /nfs/dbraw/zinc/71/30/46/860713046.db2.gz FBACVTVGHLHCPZ-UHFFFAOYSA-N 1 0 397.494 3.859 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)cc1 ZINC000599018536 860741915 /nfs/dbraw/zinc/74/19/15/860741915.db2.gz YAGUXTBBSOQWKU-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO CCN(C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000509066620 860778303 /nfs/dbraw/zinc/77/83/03/860778303.db2.gz DJMKHEMKMMLHHJ-GOSISDBHSA-N 1 0 383.536 3.971 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccnn3-c3ccc(F)cc3)CC2)c1 ZINC000593693431 860905635 /nfs/dbraw/zinc/90/56/35/860905635.db2.gz ZAWRXQVPHSZFGM-UHFFFAOYSA-N 1 0 389.478 3.637 20 30 GHEDRO Cn1cc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000156652762 860909859 /nfs/dbraw/zinc/90/98/59/860909859.db2.gz XGIKMUYYLWMDOQ-NRFANRHFSA-N 1 0 380.879 3.609 20 30 GHEDRO O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329013208 860947267 /nfs/dbraw/zinc/94/72/67/860947267.db2.gz FGYPFXWUWONFAP-JOCHJYFZSA-N 1 0 397.563 3.831 20 30 GHEDRO N#Cc1cccc(OCC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000730235583 860959886 /nfs/dbraw/zinc/95/98/86/860959886.db2.gz HDFKXEDGRIMFEZ-UHFFFAOYSA-N 1 0 397.906 3.619 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000603649609 860973486 /nfs/dbraw/zinc/97/34/86/860973486.db2.gz BGPWKULEKOKHQC-UHFFFAOYSA-N 1 0 397.548 3.849 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168528804 860975354 /nfs/dbraw/zinc/97/53/54/860975354.db2.gz NHNIKSJNJSSJRM-OWCLPIDISA-N 1 0 391.478 3.557 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+](Cc2cccs2)Cc2cccs2)CCOCC1 ZINC000599249957 860979202 /nfs/dbraw/zinc/97/92/02/860979202.db2.gz IVWCUQFJGPUQPQ-MRXNPFEDSA-N 1 0 376.547 3.883 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CCOCC1 ZINC000599255949 860987893 /nfs/dbraw/zinc/98/78/93/860987893.db2.gz GFSACCWVQVOVSY-GMAHTHKFSA-N 1 0 376.500 3.705 20 30 GHEDRO O=C(COc1ccc2c(c1)CCC(=O)N2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329072018 860994327 /nfs/dbraw/zinc/99/43/27/860994327.db2.gz ZGVRNRRUJZHIFE-UHFFFAOYSA-N 1 0 385.508 3.561 20 30 GHEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC000600106794 860999963 /nfs/dbraw/zinc/99/99/63/860999963.db2.gz HXUPRMMERCHDAR-ICDZXHCJSA-N 1 0 387.527 3.838 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000603689211 861046890 /nfs/dbraw/zinc/04/68/90/861046890.db2.gz CGGQVCFOQCVOJD-UHFFFAOYSA-N 1 0 379.464 3.551 20 30 GHEDRO CC(C)C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000481314139 861049214 /nfs/dbraw/zinc/04/92/14/861049214.db2.gz BKMNTETVRRPLOS-OAQYLSRUSA-N 1 0 376.504 3.605 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)cc1OC ZINC000600115724 861053139 /nfs/dbraw/zinc/05/31/39/861053139.db2.gz JRNXTNIIMJBWRP-OAHLLOKOSA-N 1 0 379.884 3.689 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000329136054 861056014 /nfs/dbraw/zinc/05/60/14/861056014.db2.gz QVWMNESCADZRAJ-GIVPXCGWSA-N 1 0 398.551 3.706 20 30 GHEDRO CCc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000329146285 861065507 /nfs/dbraw/zinc/06/55/07/861065507.db2.gz OIFYBIKUJYEAET-WOJBJXKFSA-N 1 0 395.551 3.776 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000599347667 861083235 /nfs/dbraw/zinc/08/32/35/861083235.db2.gz HSRGSVOQSOFTKA-BBRMVZONSA-N 1 0 380.366 3.547 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000599350546 861088633 /nfs/dbraw/zinc/08/86/33/861088633.db2.gz TVMXFTGSRWVNPJ-OXJNMPFZSA-N 1 0 395.478 3.712 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599356226 861100028 /nfs/dbraw/zinc/10/00/28/861100028.db2.gz BZWQMYPTTQVCKP-MBSDFSHPSA-N 1 0 389.499 3.947 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599356225 861100240 /nfs/dbraw/zinc/10/02/40/861100240.db2.gz BZWQMYPTTQVCKP-JPYJTQIMSA-N 1 0 389.499 3.947 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)CCOCC1 ZINC000599357499 861120906 /nfs/dbraw/zinc/12/09/06/861120906.db2.gz WJIKPHPLQJVNKQ-QGZVFWFLSA-N 1 0 382.426 3.746 20 30 GHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)COc3ccccc3C#N)oc21 ZINC000599358805 861122447 /nfs/dbraw/zinc/12/24/47/861122447.db2.gz LXRVMJVYTSOLFG-CRAIPNDOSA-N 1 0 380.444 3.794 20 30 GHEDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)COc3ccccc3C#N)oc21 ZINC000599358808 861122556 /nfs/dbraw/zinc/12/25/56/861122556.db2.gz LXRVMJVYTSOLFG-YJBOKZPZSA-N 1 0 380.444 3.794 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599359517 861123718 /nfs/dbraw/zinc/12/37/18/861123718.db2.gz RJXXRJLYNYEIQE-YJBOKZPZSA-N 1 0 385.533 3.841 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000329193190 861123771 /nfs/dbraw/zinc/12/37/71/861123771.db2.gz SKACCMNQCLWCFP-QKDPSFTKSA-N 1 0 380.536 3.660 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000329205876 861139042 /nfs/dbraw/zinc/13/90/42/861139042.db2.gz DPSDBKBNQBOHHE-ZDUSSCGKSA-N 1 0 382.302 3.713 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1OC ZINC000623499121 861139103 /nfs/dbraw/zinc/13/91/03/861139103.db2.gz VXAUXZPYVMGQFJ-PKOBYXMFSA-N 1 0 391.899 3.657 20 30 GHEDRO CC[C@@H](C)n1nc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1C ZINC000329212389 861151488 /nfs/dbraw/zinc/15/14/88/861151488.db2.gz HUXDSCVLQDVYQT-IPJUCJBFSA-N 1 0 375.561 3.953 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1OC ZINC000623544222 861164981 /nfs/dbraw/zinc/16/49/81/861164981.db2.gz SWSDGFBFCUZRHC-YJBOKZPZSA-N 1 0 391.899 3.657 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000161702336 861176627 /nfs/dbraw/zinc/17/66/27/861176627.db2.gz VEHPRMFOLUVOIX-HXUWFJFHSA-N 1 0 391.515 3.845 20 30 GHEDRO CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000443984633 863095862 /nfs/dbraw/zinc/09/58/62/863095862.db2.gz FWKONQSHGNUFEM-UHFFFAOYSA-N 1 0 387.915 3.600 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000182282248 863175616 /nfs/dbraw/zinc/17/56/16/863175616.db2.gz WBDFGNBWHXYWDU-QGZVFWFLSA-N 1 0 379.460 3.630 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000733852347 863219083 /nfs/dbraw/zinc/21/90/83/863219083.db2.gz WHYMVNPUKKGKRH-NRFANRHFSA-N 1 0 398.551 3.775 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182558222 863281052 /nfs/dbraw/zinc/28/10/52/863281052.db2.gz NKDOIKCJWSWGBY-SFHVURJKSA-N 1 0 377.488 3.790 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(OC2CCCC2)CC1)C(C)C ZINC000522845888 863556333 /nfs/dbraw/zinc/55/63/33/863556333.db2.gz JMNJUJKRBSXVRY-NRFANRHFSA-N 1 0 377.573 3.818 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000439708622 863573648 /nfs/dbraw/zinc/57/36/48/863573648.db2.gz ZGBFRFHFSOAHKZ-HXUWFJFHSA-N 1 0 395.503 3.971 20 30 GHEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000444307713 863851056 /nfs/dbraw/zinc/85/10/56/863851056.db2.gz ARGKXSFADCORLO-RBBKRZOGSA-N 1 0 386.499 3.773 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000733907239 863851339 /nfs/dbraw/zinc/85/13/39/863851339.db2.gz MCLNVGPOKNACRU-OXQOHEQNSA-N 1 0 381.524 3.859 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000606844039 863874593 /nfs/dbraw/zinc/87/45/93/863874593.db2.gz VGEIZIWCJBWGRG-INIZCTEOSA-N 1 0 382.426 3.971 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733993171 863908732 /nfs/dbraw/zinc/90/87/32/863908732.db2.gz ZMSZQPNKCSTLQQ-OSICKASQSA-N 1 0 399.416 3.981 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1 ZINC000103236258 863920186 /nfs/dbraw/zinc/92/01/86/863920186.db2.gz GGOLGNWFKOFZGG-UHFFFAOYSA-N 1 0 394.519 3.507 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N3Cc4ccc(C#N)cc4C3)c(C)c2)CC1 ZINC000594057910 863932406 /nfs/dbraw/zinc/93/24/06/863932406.db2.gz BIJFTOJCNHCXMQ-UHFFFAOYSA-N 1 0 389.503 3.556 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@@H]([NH+]3CC=CC3)C2)c1Br ZINC000480057877 863958210 /nfs/dbraw/zinc/95/82/10/863958210.db2.gz HTUYNANCDKKHCP-OAHLLOKOSA-N 1 0 383.293 3.628 20 30 GHEDRO C[C@@H](C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)CO)c1ccccc1 ZINC000554284347 864043704 /nfs/dbraw/zinc/04/37/04/864043704.db2.gz MTBDOXNQCVGJIC-HOTGVXAUSA-N 1 0 385.895 3.637 20 30 GHEDRO C=CC[C@@H](NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccncc1 ZINC000734237344 864102658 /nfs/dbraw/zinc/10/26/58/864102658.db2.gz OENOLXMEBVTPOE-JOCHJYFZSA-N 1 0 378.520 3.659 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1F ZINC000734307552 864138522 /nfs/dbraw/zinc/13/85/22/864138522.db2.gz ILBAWVDLFATCHP-UHFFFAOYSA-N 1 0 376.888 3.899 20 30 GHEDRO Cc1ccc(C)c(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000734361621 864177019 /nfs/dbraw/zinc/17/70/19/864177019.db2.gz GMVOJAJTVQWFMN-QGZVFWFLSA-N 1 0 381.549 3.883 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000920134592 881741189 /nfs/dbraw/zinc/74/11/89/881741189.db2.gz CTBZSLAKYXHSQN-SFHVURJKSA-N 1 0 378.472 3.781 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC000856780136 881741623 /nfs/dbraw/zinc/74/16/23/881741623.db2.gz JHZAPSHRVSIRSJ-AAEUAGOBSA-N 1 0 399.800 3.716 20 30 GHEDRO CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000480344969 864531359 /nfs/dbraw/zinc/53/13/59/864531359.db2.gz SYNIHLVMLXCAIC-LJQANCHMSA-N 1 0 381.499 3.696 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554580121 864571549 /nfs/dbraw/zinc/57/15/49/864571549.db2.gz XTQOIKBQVZBQNG-HXUWFJFHSA-N 1 0 399.922 3.816 20 30 GHEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)Nc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000735223725 864670269 /nfs/dbraw/zinc/67/02/69/864670269.db2.gz GHWAPTUFXAYSEV-KRWDZBQOSA-N 1 0 376.570 3.714 20 30 GHEDRO CCOCCC[N@@H+]1CCC(N=Nc2ncnc3sc(C)c(C)c32)[C@H](C)C1 ZINC000735227900 864671779 /nfs/dbraw/zinc/67/17/79/864671779.db2.gz LJVCMUDXHCRCBT-CYBMUJFWSA-N 1 0 375.542 3.844 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000586119868 864686679 /nfs/dbraw/zinc/68/66/79/864686679.db2.gz JBLALQVDXQHYNF-UHFFFAOYSA-N 1 0 391.490 3.772 20 30 GHEDRO N#CCOc1ccc(Cl)cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000735306460 864709954 /nfs/dbraw/zinc/70/99/54/864709954.db2.gz NUXZCYOHVHTRLR-UHFFFAOYSA-N 1 0 394.906 3.822 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1)C(=O)OC(C)(C)C ZINC000735309234 864735884 /nfs/dbraw/zinc/73/58/84/864735884.db2.gz JQFMLJXEYCXCOV-OAHLLOKOSA-N 1 0 393.915 3.931 20 30 GHEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000735311420 864737275 /nfs/dbraw/zinc/73/72/75/864737275.db2.gz PPRRMCQPMITEFD-UHFFFAOYSA-N 1 0 397.906 3.979 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000480500873 864769196 /nfs/dbraw/zinc/76/91/96/864769196.db2.gz RTCMLHVMZDPWFK-LJQANCHMSA-N 1 0 388.870 3.935 20 30 GHEDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000842194905 864866227 /nfs/dbraw/zinc/86/62/27/864866227.db2.gz BQRYSCCZIOLIRU-JOCHJYFZSA-N 1 0 376.504 3.839 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000608061419 864955032 /nfs/dbraw/zinc/95/50/32/864955032.db2.gz AFSCVECIPOBIMN-ZFWWWQNUSA-N 1 0 383.330 3.595 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)c3)cc2)C[C@H](C)O1 ZINC000455956068 865209873 /nfs/dbraw/zinc/20/98/73/865209873.db2.gz XKLZBLHFIRXJLS-ROUUACIJSA-N 1 0 392.503 3.684 20 30 GHEDRO C=CCNC(=O)c1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000301252577 865247017 /nfs/dbraw/zinc/24/70/17/865247017.db2.gz SDWNNMHZUQBMGF-UHFFFAOYSA-N 1 0 384.911 3.727 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594209756 865380458 /nfs/dbraw/zinc/38/04/58/865380458.db2.gz UHIZBSNCCVNBPE-UHFFFAOYSA-N 1 0 392.503 3.504 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192047310 865447956 /nfs/dbraw/zinc/44/79/56/865447956.db2.gz JVSAOVQCZCXRRJ-RDJZCZTQSA-N 1 0 375.881 3.722 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cn3ccc(-c4ccccc4)n3)CC2)c1 ZINC000738119512 865494671 /nfs/dbraw/zinc/49/46/71/865494671.db2.gz DIABUHZZRGKQMP-UHFFFAOYSA-N 1 0 385.471 3.730 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)CC1 ZINC000172135055 865499596 /nfs/dbraw/zinc/49/95/96/865499596.db2.gz GANUUVOKEKTBCR-UHFFFAOYSA-N 1 0 375.944 3.955 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594241575 865529577 /nfs/dbraw/zinc/52/95/77/865529577.db2.gz DDMFGSURQVQIJO-JOCHJYFZSA-N 1 0 388.515 3.884 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608678736 865583200 /nfs/dbraw/zinc/58/32/00/865583200.db2.gz KBELAIANTOJEJQ-OAQYLSRUSA-N 1 0 379.504 3.667 20 30 GHEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)c1 ZINC000121046883 881885903 /nfs/dbraw/zinc/88/59/03/881885903.db2.gz RBZGTTKCFSISTC-UHFFFAOYSA-N 1 0 381.476 3.670 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000594287121 865713295 /nfs/dbraw/zinc/71/32/95/865713295.db2.gz TXDIIHMCGZKBAH-KRWDZBQOSA-N 1 0 376.504 3.882 20 30 GHEDRO C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000608791334 865727562 /nfs/dbraw/zinc/72/75/62/865727562.db2.gz XMXOFZCCWZOKTB-OAQYLSRUSA-N 1 0 380.467 3.503 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000173206424 865775886 /nfs/dbraw/zinc/77/58/86/865775886.db2.gz LFHBFLYVGZZETD-RBUKOAKNSA-N 1 0 387.487 3.858 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000555268903 865803866 /nfs/dbraw/zinc/80/38/66/865803866.db2.gz JRSWXXXSYSBTDD-UHFFFAOYSA-N 1 0 385.943 3.630 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000608915312 865813393 /nfs/dbraw/zinc/81/33/93/865813393.db2.gz UFAVKMVYJWDZGF-SFHVURJKSA-N 1 0 381.524 3.541 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594335444 865875181 /nfs/dbraw/zinc/87/51/81/865875181.db2.gz OKIURIQIZJFGFC-JPYJTQIMSA-N 1 0 391.515 3.699 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000174379485 865900579 /nfs/dbraw/zinc/90/05/79/865900579.db2.gz LVTRYHUMQMJGMQ-OALUTQOASA-N 1 0 387.487 3.858 20 30 GHEDRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000174438371 865906629 /nfs/dbraw/zinc/90/66/29/865906629.db2.gz UGQPFINJBFEPQQ-NRFANRHFSA-N 1 0 392.547 3.669 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740443252 865911626 /nfs/dbraw/zinc/91/16/26/865911626.db2.gz CFUDXZPDOWLEMF-QGZVFWFLSA-N 1 0 382.533 3.816 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 ZINC000174666358 865932771 /nfs/dbraw/zinc/93/27/71/865932771.db2.gz ZXZCEKLSSHFTJQ-UHFFFAOYSA-N 1 0 388.924 3.661 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000740735504 865972596 /nfs/dbraw/zinc/97/25/96/865972596.db2.gz INVKPTZMQCLVJG-UHFFFAOYSA-N 1 0 391.353 3.766 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C)cc(C#N)c3)CC2)cc1 ZINC000456001974 865975113 /nfs/dbraw/zinc/97/51/13/865975113.db2.gz MRTRJMNQRXIWMP-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1 ZINC000740736859 865976479 /nfs/dbraw/zinc/97/64/79/865976479.db2.gz PMZNYQTYXHHEAZ-UHFFFAOYSA-N 1 0 398.938 3.867 20 30 GHEDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000475695800 881927744 /nfs/dbraw/zinc/92/77/44/881927744.db2.gz JOZFOTGVSVPUFL-OAQYLSRUSA-N 1 0 389.565 3.700 20 30 GHEDRO CN1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000456026739 866035496 /nfs/dbraw/zinc/03/54/96/866035496.db2.gz XEHBBIZSSZCWGY-NHCUHLMSSA-N 1 0 397.469 3.967 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3c(C#N)nnc4ccccc43)cc2F)CC1 ZINC000740868357 866055336 /nfs/dbraw/zinc/05/53/36/866055336.db2.gz HKPDDPMOZOOXGN-UHFFFAOYSA-N 1 0 390.466 3.915 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000121374849 866122599 /nfs/dbraw/zinc/12/25/99/866122599.db2.gz UEVDVURBGYRBLS-QGZVFWFLSA-N 1 0 396.466 3.740 20 30 GHEDRO CCCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccccc1C ZINC000429693530 866181484 /nfs/dbraw/zinc/18/14/84/866181484.db2.gz JZBJQTGSWOIPRD-UHFFFAOYSA-N 1 0 396.539 3.833 20 30 GHEDRO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Oc1cccc(Cl)c1 ZINC000262523698 866256992 /nfs/dbraw/zinc/25/69/92/866256992.db2.gz JPYGIJIWHUAVNG-CYBMUJFWSA-N 1 0 375.856 3.695 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)c2ccc(C)o2)cc1OC ZINC000741263327 866361267 /nfs/dbraw/zinc/36/12/67/866361267.db2.gz YOQDJRSOWAUTPA-HNNXBMFYSA-N 1 0 396.281 3.747 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000741339433 866402345 /nfs/dbraw/zinc/40/23/45/866402345.db2.gz YSBQYFSOCXUNRK-UHFFFAOYSA-N 1 0 397.475 3.796 20 30 GHEDRO N#Cc1ccccc1OCCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741326822 866405531 /nfs/dbraw/zinc/40/55/31/866405531.db2.gz FFDCPKBLDXWCDB-IBGZPJMESA-N 1 0 382.435 3.532 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000303989656 866439582 /nfs/dbraw/zinc/43/95/82/866439582.db2.gz XUHSQQQNYFZFKE-FQEVSTJZSA-N 1 0 386.927 3.757 20 30 GHEDRO C=CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1F ZINC000615352845 866449919 /nfs/dbraw/zinc/44/99/19/866449919.db2.gz PIUUJIPMTYHOBG-UHFFFAOYSA-N 1 0 395.522 3.726 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2nc3c(s2)CCCC3)c1 ZINC000305732056 866633904 /nfs/dbraw/zinc/63/39/04/866633904.db2.gz VAGBGWLYXSSSQC-UHFFFAOYSA-N 1 0 388.537 3.789 20 30 GHEDRO C[C@H]1CN(CCOC2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000553025475 866644119 /nfs/dbraw/zinc/64/41/19/866644119.db2.gz AAJDJOAQRBBJCT-PMACEKPBSA-N 1 0 399.579 3.578 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000468965612 866780108 /nfs/dbraw/zinc/78/01/08/866780108.db2.gz LZQVZHWABFMIQK-ZIAGYGMSSA-N 1 0 383.330 3.921 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](C3CCC(C)CC3)CC2)c1C ZINC000115565611 866782457 /nfs/dbraw/zinc/78/24/57/866782457.db2.gz BWTQMFGLEIXAFO-UHFFFAOYSA-N 1 0 396.579 3.746 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000523284895 867020973 /nfs/dbraw/zinc/02/09/73/867020973.db2.gz KORGLBOTUDPCNE-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cc(F)cc(F)c2)c(OC)c1 ZINC000444695731 867077279 /nfs/dbraw/zinc/07/72/79/867077279.db2.gz TWAQSNFEVMPMKJ-LJQANCHMSA-N 1 0 377.431 3.574 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@@H](C[NH+]3CCCCC3)C2)nc1-c1ccco1 ZINC000742169535 867095648 /nfs/dbraw/zinc/09/56/48/867095648.db2.gz SKGHETMSPKWNQI-KRWDZBQOSA-N 1 0 387.553 3.625 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444719447 867137818 /nfs/dbraw/zinc/13/78/18/867137818.db2.gz MYFILDQXUUUUNZ-OALUTQOASA-N 1 0 379.504 3.924 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](CCO)C(C)(C)C)c1C#N ZINC000183666908 867185477 /nfs/dbraw/zinc/18/54/77/867185477.db2.gz LWOQJTZQYVYPMH-IBGZPJMESA-N 1 0 388.556 3.807 20 30 GHEDRO C=CC[C@@H]1[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CCCC1(C)C ZINC000444774048 867213926 /nfs/dbraw/zinc/21/39/26/867213926.db2.gz HHWABBPCGHBMFE-NRFANRHFSA-N 1 0 384.564 3.918 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1C#N ZINC000742368688 867239927 /nfs/dbraw/zinc/23/99/27/867239927.db2.gz LRHPDMUCOVJHPI-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000553347751 867240480 /nfs/dbraw/zinc/24/04/80/867240480.db2.gz DCRIVDKACXQJRZ-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1C#N ZINC000523398381 867250923 /nfs/dbraw/zinc/25/09/23/867250923.db2.gz OLTACSQMGBMJCV-INIZCTEOSA-N 1 0 384.549 3.643 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000553364898 867269976 /nfs/dbraw/zinc/26/99/76/867269976.db2.gz BJVXXPZEMUEKPA-FDDCHVKYSA-N 1 0 387.483 3.905 20 30 GHEDRO N#CC1(NC(=O)CCc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479211413 867360261 /nfs/dbraw/zinc/36/02/61/867360261.db2.gz FKQHBMOCVOYZLK-UHFFFAOYSA-N 1 0 381.907 3.947 20 30 GHEDRO Cc1cccc(OCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000479218072 867371609 /nfs/dbraw/zinc/37/16/09/867371609.db2.gz PDDFMXCRCSKGIZ-UHFFFAOYSA-N 1 0 391.515 3.747 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)Cc2cnccn2)cc1OC ZINC000742723735 867506764 /nfs/dbraw/zinc/50/67/64/867506764.db2.gz LBTPEYXBHBPZNO-ZDUSSCGKSA-N 1 0 392.297 3.533 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(C#N)c(OC)c3)CCN2C2CC2)c1 ZINC000440610406 867510535 /nfs/dbraw/zinc/51/05/35/867510535.db2.gz DGKGYZINMHZHHT-GMAHTHKFSA-N 1 0 377.488 3.643 20 30 GHEDRO Cc1ccc(C)c(OCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479294633 867528962 /nfs/dbraw/zinc/52/89/62/867528962.db2.gz ZKBAEKVIDSPNTD-UHFFFAOYSA-N 1 0 391.515 3.747 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC000793343482 882092662 /nfs/dbraw/zinc/09/26/62/882092662.db2.gz MXFQCUKCQDVMRV-JPYJTQIMSA-N 1 0 393.487 3.868 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)ccc1C#N ZINC000440616474 867538917 /nfs/dbraw/zinc/53/89/17/867538917.db2.gz RZMWDEIZHNNRAU-OAHLLOKOSA-N 1 0 378.394 3.526 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000457124293 867728088 /nfs/dbraw/zinc/72/80/88/867728088.db2.gz PKTLWLRFSLQTJG-OAQYLSRUSA-N 1 0 377.488 3.692 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC000553588478 867735586 /nfs/dbraw/zinc/73/55/86/867735586.db2.gz DVTNMDBBQNUXOB-HXUWFJFHSA-N 1 0 377.479 3.908 20 30 GHEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H](C)C(=O)NC4(C#N)CCCCC4)C3)nc2c1 ZINC000245665291 867841565 /nfs/dbraw/zinc/84/15/65/867841565.db2.gz GUMLZAOHQQMXEZ-MSOLQXFVSA-N 1 0 393.535 3.782 20 30 GHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000091685832 882133316 /nfs/dbraw/zinc/13/33/16/882133316.db2.gz GTVZSRHUQVKOEI-HKUYNNGSSA-N 1 0 378.476 3.532 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3cccc(Cl)c3F)CCCC2)C(N)=O)cc1 ZINC000479524647 867920311 /nfs/dbraw/zinc/92/03/11/867920311.db2.gz IHVQEYCSTAMQPV-LJQANCHMSA-N 1 0 385.870 3.979 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000743201917 867952976 /nfs/dbraw/zinc/95/29/76/867952976.db2.gz RCUWGYHFRISSJZ-UHFFFAOYSA-N 1 0 383.467 3.742 20 30 GHEDRO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCCC4(C3)CCCCCC4)C2=O)cc1 ZINC000743385218 868137879 /nfs/dbraw/zinc/13/78/79/868137879.db2.gz FMDUREWHPOWGCS-UHFFFAOYSA-N 1 0 394.519 3.716 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609071642 868173795 /nfs/dbraw/zinc/17/37/95/868173795.db2.gz NLRMSHYIVBHRNU-KURKYZTESA-N 1 0 395.503 3.826 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3cccc(Cl)c3C#N)CC2)cc1 ZINC000743454757 868202881 /nfs/dbraw/zinc/20/28/81/868202881.db2.gz NUFXJOIRAOHPDW-UHFFFAOYSA-N 1 0 384.911 3.844 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C12CCCC2 ZINC000743488981 868236373 /nfs/dbraw/zinc/23/63/73/868236373.db2.gz QJZQGXCFMFAMGV-HMXCVIKNSA-N 1 0 383.536 3.958 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669804916 868402913 /nfs/dbraw/zinc/40/29/13/868402913.db2.gz PLDUBCLYNLQXCS-IBGZPJMESA-N 1 0 391.494 3.981 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)s1 ZINC000442742608 868602173 /nfs/dbraw/zinc/60/21/73/868602173.db2.gz XMAOJQVIFNANRP-MWLCHTKSSA-N 1 0 396.335 3.900 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000479923328 868701617 /nfs/dbraw/zinc/70/16/17/868701617.db2.gz MBRTVRVUIGHSKV-HDICACEKSA-N 1 0 379.552 3.805 20 30 GHEDRO C=CCn1c(C)cc(C(O)=CONC(=[NH2+])c2ccc(N3CCCCC3)cc2)c1C ZINC000744445677 868848061 /nfs/dbraw/zinc/84/80/61/868848061.db2.gz FQIWNFXPIGKWTM-UHFFFAOYSA-N 1 0 394.519 3.801 20 30 GHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nc1 ZINC000092004581 882250613 /nfs/dbraw/zinc/25/06/13/882250613.db2.gz GSYXOUQJTKEMFN-HKUYNNGSSA-N 1 0 378.476 3.532 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000744834133 869117662 /nfs/dbraw/zinc/11/76/62/869117662.db2.gz ISXWMXNJLPSVLZ-HSZRJFAPSA-N 1 0 393.506 3.807 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(F)c1 ZINC000445947593 869193413 /nfs/dbraw/zinc/19/34/13/869193413.db2.gz VHJYTVFKFKPMLN-HSZRJFAPSA-N 1 0 395.453 3.965 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000793603438 882310105 /nfs/dbraw/zinc/31/01/05/882310105.db2.gz AMQNPCCSVARCJA-VGSWGCGISA-N 1 0 385.508 3.810 20 30 GHEDRO C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000462541867 869633300 /nfs/dbraw/zinc/63/33/00/869633300.db2.gz IVTIHXAGGPWOIA-GOSISDBHSA-N 1 0 376.504 3.822 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[NH+]2CCCC2)cc1 ZINC000539751426 869694946 /nfs/dbraw/zinc/69/49/46/869694946.db2.gz MORUBRSODXZFRJ-HXUWFJFHSA-N 1 0 383.879 3.787 20 30 GHEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000595044194 869802955 /nfs/dbraw/zinc/80/29/55/869802955.db2.gz MCOKLZOXBMXJQH-NHCUHLMSSA-N 1 0 381.907 3.923 20 30 GHEDRO CC1(C)CN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000745894600 869868998 /nfs/dbraw/zinc/86/89/98/869868998.db2.gz RQTHDHLNNGLVFC-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO COC(=O)[C@H](C)C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000508627594 882348409 /nfs/dbraw/zinc/34/84/09/882348409.db2.gz BCPQSKRPJLDZTE-QGZVFWFLSA-N 1 0 378.472 3.911 20 30 GHEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C1 ZINC000525181547 870121309 /nfs/dbraw/zinc/12/13/09/870121309.db2.gz DNBDCGDWQMONGQ-KRWDZBQOSA-N 1 0 377.554 3.527 20 30 GHEDRO COc1cc(-c2noc([C@H](C)c3cccc(C#N)c3)n2)ccc1OCC[NH+](C)C ZINC000462824577 870165444 /nfs/dbraw/zinc/16/54/44/870165444.db2.gz DZSUHFUKBKENAK-OAHLLOKOSA-N 1 0 392.459 3.709 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C)C2)cc1 ZINC001192261902 870246159 /nfs/dbraw/zinc/24/61/59/870246159.db2.gz LUWFNRURIPPYPU-HOTGVXAUSA-N 1 0 394.519 3.891 20 30 GHEDRO CCCN(CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000446762842 870313722 /nfs/dbraw/zinc/31/37/22/870313722.db2.gz WIFUYPSMQBCQLZ-UHFFFAOYSA-N 1 0 378.369 3.945 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000540053123 870314872 /nfs/dbraw/zinc/31/48/72/870314872.db2.gz RQPMOUPWWXDWGK-HNNXBMFYSA-N 1 0 396.354 3.680 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1Cl ZINC000181223129 870399810 /nfs/dbraw/zinc/39/98/10/870399810.db2.gz WEVKDBJKCFBUSD-MGPUTAFESA-N 1 0 383.879 3.908 20 30 GHEDRO CC[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000538729599 870448557 /nfs/dbraw/zinc/44/85/57/870448557.db2.gz CFCWMUWPSOFXDC-QFIPXVFZSA-N 1 0 377.488 3.997 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c(Br)c1 ZINC001192516878 870450836 /nfs/dbraw/zinc/45/08/36/870450836.db2.gz ZIGKZPKKQPFSIS-KZULUSFZSA-N 1 0 375.266 3.714 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000525387428 870620191 /nfs/dbraw/zinc/62/01/91/870620191.db2.gz AXGDDEDDJSDQJH-NQIIRXRSSA-N 1 0 397.544 3.713 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(C)(C)C[NH+](C)C ZINC000461657791 870692847 /nfs/dbraw/zinc/69/28/47/870692847.db2.gz CYMFLTROBOKHHS-QGZVFWFLSA-N 1 0 379.504 3.843 20 30 GHEDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000128060734 870783599 /nfs/dbraw/zinc/78/35/99/870783599.db2.gz WAHNGUARKSCHAF-DLBZAZTESA-N 1 0 395.503 3.663 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(COC)c1 ZINC000446951075 870790926 /nfs/dbraw/zinc/79/09/26/870790926.db2.gz DOOGZYYAGDYECY-UHFFFAOYSA-N 1 0 386.565 3.931 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001193104810 870885824 /nfs/dbraw/zinc/88/58/24/870885824.db2.gz TZHLPESUMMJGHU-MJGOQNOKSA-N 1 0 390.405 3.806 20 30 GHEDRO C[C@H](CCc1ccccc1F)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000463121441 870960676 /nfs/dbraw/zinc/96/06/76/870960676.db2.gz CXEOZDDULOIYKD-GOSISDBHSA-N 1 0 381.495 3.856 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)nc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001168992258 871073252 /nfs/dbraw/zinc/07/32/52/871073252.db2.gz QEMORXBKFWVJDB-UHFFFAOYSA-N 1 0 381.654 3.539 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1 ZINC001169042068 871119591 /nfs/dbraw/zinc/11/95/91/871119591.db2.gz XDYWPLDLLAUXSB-VXKWHMMOSA-N 1 0 389.499 3.593 20 30 GHEDRO N#Cc1cc(C(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)ccc1[O-] ZINC001193504188 871146287 /nfs/dbraw/zinc/14/62/87/871146287.db2.gz OKJPHPGUARCHLF-UHFFFAOYSA-N 1 0 389.499 3.782 20 30 GHEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000463237893 871232756 /nfs/dbraw/zinc/23/27/56/871232756.db2.gz QTJRIHNHDPSLQG-APWZRJJASA-N 1 0 387.480 3.798 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000539077958 871267069 /nfs/dbraw/zinc/26/70/69/871267069.db2.gz VTRLBPSXTVGVTA-WWAKMMQFSA-N 1 0 377.463 3.925 20 30 GHEDRO N#Cc1c2c(cn(C[NH2+]C3(c4cccc(Br)c4)CCC3)c1=O)CCC2 ZINC000766620851 871309855 /nfs/dbraw/zinc/30/98/55/871309855.db2.gz XSLGHGSEHPROKU-UHFFFAOYSA-N 1 0 398.304 3.598 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169300750 871395319 /nfs/dbraw/zinc/39/53/19/871395319.db2.gz ORQIEADMXNVCKN-WNACPCLMSA-N 1 0 399.531 3.981 20 30 GHEDRO COCC#CC[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001193964343 871406931 /nfs/dbraw/zinc/40/69/31/871406931.db2.gz SNVGFHOOAGJYJO-GOSISDBHSA-N 1 0 398.366 3.675 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000121727884 871419782 /nfs/dbraw/zinc/41/97/82/871419782.db2.gz WRRLCRSHHSBVFK-OALUTQOASA-N 1 0 390.531 3.856 20 30 GHEDRO COc1ccc([C@@H](C)C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000540506500 871444084 /nfs/dbraw/zinc/44/40/84/871444084.db2.gz MFXOWWVAXCPWQS-INIZCTEOSA-N 1 0 392.459 3.741 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)[C@@H](C)[C@H]1OC ZINC001194090698 871498886 /nfs/dbraw/zinc/49/88/86/871498886.db2.gz KEAPCDZBGJKJTB-STZQEDGTSA-N 1 0 385.552 3.979 20 30 GHEDRO CC(C)OC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000181831697 871525398 /nfs/dbraw/zinc/52/53/98/871525398.db2.gz YHTHSMWBAQZSSN-HXUWFJFHSA-N 1 0 379.460 3.559 20 30 GHEDRO CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000540594557 871654641 /nfs/dbraw/zinc/65/46/41/871654641.db2.gz MIDFZJTWDPTVJN-UHFFFAOYSA-N 1 0 391.515 3.819 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](COc2ccccc2)c2ccccc2)cc1 ZINC000539317792 871678557 /nfs/dbraw/zinc/67/85/57/871678557.db2.gz AYMKVBZFFQWIAY-ZJSXRUAMSA-N 1 0 388.467 3.708 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000540605863 871698966 /nfs/dbraw/zinc/69/89/66/871698966.db2.gz MKWJAOXZBYXTMO-UHFFFAOYSA-N 1 0 391.515 3.516 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447498909 871704824 /nfs/dbraw/zinc/70/48/24/871704824.db2.gz DQWTWFNYDZVVOW-RBUKOAKNSA-N 1 0 380.492 3.844 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3ccc([N+](=O)[O-])c(C#N)c3)CC2)c1 ZINC000463429788 871717942 /nfs/dbraw/zinc/71/79/42/871717942.db2.gz KEYYCPBVXULVHL-UHFFFAOYSA-N 1 0 393.491 3.789 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2ccccc2CC#N)cc1 ZINC000776969692 882542088 /nfs/dbraw/zinc/54/20/88/882542088.db2.gz JFFMZZCKDPHHNF-LJQANCHMSA-N 1 0 375.516 3.986 20 30 GHEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(CN2CCS/C2=N\C#N)cn1 ZINC001169683595 871751438 /nfs/dbraw/zinc/75/14/38/871751438.db2.gz AWDFIYPTIGNJRM-PAEYTKSYSA-N 1 0 392.532 3.708 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC000539358655 871757713 /nfs/dbraw/zinc/75/77/13/871757713.db2.gz XTAYUNVVNRZHCD-UHFFFAOYSA-N 1 0 387.405 3.862 20 30 GHEDRO Cc1ccc(-n2cc(CC[NH3+])c3ncccc32)cc1NC(=O)c1cccc(C#N)c1 ZINC001169709598 871793004 /nfs/dbraw/zinc/79/30/04/871793004.db2.gz ZVVICSQQYWRYMC-UHFFFAOYSA-N 1 0 395.466 3.959 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c1C#N ZINC000552054204 871942365 /nfs/dbraw/zinc/94/23/65/871942365.db2.gz OKRLMUPXWIEFDB-VQTJNVASSA-N 1 0 386.398 3.713 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618797153 872004569 /nfs/dbraw/zinc/00/45/69/872004569.db2.gz DBUGSXQYZMSRBC-FGZHOGPDSA-N 1 0 376.504 3.928 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000618804886 872014122 /nfs/dbraw/zinc/01/41/22/872014122.db2.gz MWSLTAMMUQTXDB-NHCUHLMSSA-N 1 0 377.488 3.753 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+]2CCCC2)cc1 ZINC000618809367 872016582 /nfs/dbraw/zinc/01/65/82/872016582.db2.gz IPJSPOPEVRJALX-GOTSBHOMSA-N 1 0 388.515 3.990 20 30 GHEDRO CCCCCCCCCOC(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001194911012 872026269 /nfs/dbraw/zinc/02/62/69/872026269.db2.gz CPCOATDPRZICSC-UHFFFAOYSA-N 1 0 395.588 3.892 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2C[C@@H](OCC)C23CCC3)cc1 ZINC000477867812 872047203 /nfs/dbraw/zinc/04/72/03/872047203.db2.gz UKKRKYHIEHRKJT-NHCUHLMSSA-N 1 0 399.535 3.611 20 30 GHEDRO CNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(N(C)C)cc1 ZINC000022733545 872144790 /nfs/dbraw/zinc/14/47/90/872144790.db2.gz RACFPQBVZSYJOF-UHFFFAOYSA-O 1 0 383.324 3.505 20 30 GHEDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001195124166 872187274 /nfs/dbraw/zinc/18/72/74/872187274.db2.gz SKEWSDOIVGDOTF-NRFANRHFSA-N 1 0 376.431 3.571 20 30 GHEDRO C=CCCOc1ccc(C(=O)Nc2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001195131144 872190112 /nfs/dbraw/zinc/19/01/12/872190112.db2.gz LALNDPQZEZWZSM-UHFFFAOYSA-N 1 0 383.467 3.785 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@H]21 ZINC000767039660 872213549 /nfs/dbraw/zinc/21/35/49/872213549.db2.gz GEGCCFNPWOLRIS-UYAOXDASSA-N 1 0 394.544 3.912 20 30 GHEDRO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001195155759 872220500 /nfs/dbraw/zinc/22/05/00/872220500.db2.gz QLPJAMXIXXVDQH-NZQKXSOJSA-N 1 0 386.495 3.944 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477947209 872222533 /nfs/dbraw/zinc/22/25/33/872222533.db2.gz RJNQRBHPYOGPCX-UHFFFAOYSA-N 1 0 382.426 3.876 20 30 GHEDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000182382071 872274416 /nfs/dbraw/zinc/27/44/16/872274416.db2.gz ZZZINBHUWRGYOU-QGZVFWFLSA-N 1 0 381.476 3.615 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2cc(C)ccc2C)[n+]2ccccc2)cn1 ZINC000101900307 872354745 /nfs/dbraw/zinc/35/47/45/872354745.db2.gz KUQMFGRNYQGVCD-UHFFFAOYSA-O 1 0 379.509 3.858 20 30 GHEDRO Cc1nc2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2nc1C ZINC000540892424 872399518 /nfs/dbraw/zinc/39/95/18/872399518.db2.gz QQTMEOCHAVEYJC-UHFFFAOYSA-N 1 0 399.498 3.535 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000741791592 872608123 /nfs/dbraw/zinc/60/81/23/872608123.db2.gz SIYOAVLRUZQMLY-HXUWFJFHSA-N 1 0 386.467 3.776 20 30 GHEDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001195876487 872731734 /nfs/dbraw/zinc/73/17/34/872731734.db2.gz KKPDAMLBUYVDGY-CXAGYDPISA-N 1 0 391.899 3.735 20 30 GHEDRO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000182741060 872733849 /nfs/dbraw/zinc/73/38/49/872733849.db2.gz DCKPJIBEOAVXEC-QGZVFWFLSA-N 1 0 388.556 3.929 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001196301392 873024082 /nfs/dbraw/zinc/02/40/82/873024082.db2.gz WOBXGUSYIAOXAY-CTNGQTDRSA-N 1 0 376.529 3.851 20 30 GHEDRO CCN(CCOC)c1cccc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC001196545132 873197860 /nfs/dbraw/zinc/19/78/60/873197860.db2.gz MGBAKNDDDRPEIY-UHFFFAOYSA-N 1 0 393.535 3.502 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)cc1OC ZINC000768345978 873267696 /nfs/dbraw/zinc/26/76/96/873267696.db2.gz VCUHBLJYBRXQJY-UHFFFAOYSA-N 1 0 390.524 3.997 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527702568 873473444 /nfs/dbraw/zinc/47/34/44/873473444.db2.gz GPNQMVORKRASBL-MEDUHNTESA-N 1 0 382.327 3.972 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000541380805 873481881 /nfs/dbraw/zinc/48/18/81/873481881.db2.gz SCVHKXSUJMEKCJ-IRLDBZIGSA-N 1 0 384.524 3.577 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC001197032867 873557071 /nfs/dbraw/zinc/55/70/71/873557071.db2.gz TXCVAFBRXAIGED-UHFFFAOYSA-N 1 0 384.483 3.854 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1CCCCC1 ZINC000541431624 873569141 /nfs/dbraw/zinc/56/91/41/873569141.db2.gz RBRXTANVYMPFNH-AWEZNQCLSA-N 1 0 398.429 3.885 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)CCOCC2)cc1 ZINC000527811807 873599644 /nfs/dbraw/zinc/59/96/44/873599644.db2.gz NVJQMRXZLTZLAS-HSZRJFAPSA-N 1 0 392.499 3.912 20 30 GHEDRO CCOC(=O)c1sc(CC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1C ZINC001197377772 873785670 /nfs/dbraw/zinc/78/56/70/873785670.db2.gz PXFVBVWVNNUICK-UHFFFAOYSA-N 1 0 383.517 3.955 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=S)Nc2cccc(C#N)c2)CC1 ZINC001197704040 873990933 /nfs/dbraw/zinc/99/09/33/873990933.db2.gz BYTBAMYWNDMJCT-UHFFFAOYSA-N 1 0 382.508 3.991 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)cc1 ZINC000769418421 874035267 /nfs/dbraw/zinc/03/52/67/874035267.db2.gz KCAPUXIHUKKFGR-KRWDZBQOSA-N 1 0 377.406 3.658 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(C(=O)NC(C)(C)c2ccc(C#N)cc2)cc1 ZINC001198030215 874188515 /nfs/dbraw/zinc/18/85/15/874188515.db2.gz JRLZRXYELDZGLR-UHFFFAOYSA-N 1 0 392.547 3.607 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000448975373 874278345 /nfs/dbraw/zinc/27/83/45/874278345.db2.gz ORMUAMBRGBBKER-UHFFFAOYSA-N 1 0 392.341 3.905 20 30 GHEDRO C=CC[N@@H+](C)CCOc1cc(Br)c(OC)cc1Br ZINC000494705633 882813837 /nfs/dbraw/zinc/81/38/37/882813837.db2.gz BEIMDQYYTMQTSG-UHFFFAOYSA-N 1 0 379.092 3.717 20 30 GHEDRO Cc1ccc(C)c(C2CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC001198466640 874420264 /nfs/dbraw/zinc/42/02/64/874420264.db2.gz BNOPOZJXBDPGMG-UHFFFAOYSA-N 1 0 386.495 3.782 20 30 GHEDRO CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000528406203 874527531 /nfs/dbraw/zinc/52/75/31/874527531.db2.gz ACYDDFXRRGNXLG-QFIPXVFZSA-N 1 0 395.478 3.606 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)c1C#N ZINC000464836333 874574927 /nfs/dbraw/zinc/57/49/27/874574927.db2.gz KHUDHQVYESPUIO-GASCZTMLSA-N 1 0 382.483 3.690 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000464830015 874595479 /nfs/dbraw/zinc/59/54/79/874595479.db2.gz NTOKYNLQJGDKQH-FGZHOGPDSA-N 1 0 387.483 3.835 20 30 GHEDRO C/C(=C\C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000921304233 882843657 /nfs/dbraw/zinc/84/36/57/882843657.db2.gz SJTJKKXOHZQNKO-OBGWFSINSA-N 1 0 377.463 3.835 20 30 GHEDRO C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000464842467 874617524 /nfs/dbraw/zinc/61/75/24/874617524.db2.gz HOKRQKKQSFCVNG-KRWDZBQOSA-N 1 0 396.922 3.747 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(CC#N)CC1)C1CCCCC1 ZINC000541971943 874668707 /nfs/dbraw/zinc/66/87/07/874668707.db2.gz SKYCGUVBIGPVMT-UHFFFAOYSA-N 1 0 396.535 3.542 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000449287452 874671898 /nfs/dbraw/zinc/67/18/98/874671898.db2.gz KTOMNWYTSXSGNF-HQVVEAJESA-N 1 0 376.298 3.616 20 30 GHEDRO CCc1ccc([C@H](CO)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000541981973 874699432 /nfs/dbraw/zinc/69/94/32/874699432.db2.gz AWGLZQODTKJQFP-IBGZPJMESA-N 1 0 397.544 3.713 20 30 GHEDRO CCCCCCC[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001199021556 874749267 /nfs/dbraw/zinc/74/92/67/874749267.db2.gz LIVJTGSJRLJFFP-KRWDZBQOSA-N 1 0 379.549 3.910 20 30 GHEDRO C=C(C)CNC(=S)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000770587814 874772358 /nfs/dbraw/zinc/77/23/58/874772358.db2.gz KEFFGSNKBYFQFM-UHFFFAOYSA-N 1 0 394.588 3.914 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000464967554 874840223 /nfs/dbraw/zinc/84/02/23/874840223.db2.gz IXYBUADSQIRJPN-HXUWFJFHSA-N 1 0 375.472 3.968 20 30 GHEDRO COc1ccc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1OCCCC#N ZINC000449428901 874847565 /nfs/dbraw/zinc/84/75/65/874847565.db2.gz ULMRWQQNNUFZKN-NZQKXSOJSA-N 1 0 398.478 3.678 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001199218759 874856811 /nfs/dbraw/zinc/85/68/11/874856811.db2.gz HHGJTVRMQSHNHF-UHFFFAOYSA-N 1 0 391.515 3.997 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000528675659 874869760 /nfs/dbraw/zinc/86/97/60/874869760.db2.gz GSNQZWHAHBPVHD-HXUWFJFHSA-N 1 0 392.459 3.765 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000770802534 874877026 /nfs/dbraw/zinc/87/70/26/874877026.db2.gz ITLOFPAUFAAXPT-CQSZACIVSA-N 1 0 376.547 3.999 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000770808810 874877819 /nfs/dbraw/zinc/87/78/19/874877819.db2.gz WZIXLWNGBHSLGP-OAHLLOKOSA-N 1 0 378.900 3.825 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)s1 ZINC000771006628 874992639 /nfs/dbraw/zinc/99/26/39/874992639.db2.gz VNLKYIBWVAVEIM-UHFFFAOYSA-N 1 0 388.562 3.851 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC001199526785 875035285 /nfs/dbraw/zinc/03/52/85/875035285.db2.gz SLGWXWRTAICFGL-HNNXBMFYSA-N 1 0 382.464 3.678 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(CC)COC2)cc1OCC ZINC000449597399 875102564 /nfs/dbraw/zinc/10/25/64/875102564.db2.gz FEDBBRAJQYLFIJ-UHFFFAOYSA-N 1 0 384.314 3.929 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c(F)c1 ZINC000449604255 875129200 /nfs/dbraw/zinc/12/92/00/875129200.db2.gz WXZPHHGYALUCQH-CYBMUJFWSA-N 1 0 395.247 3.540 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H]1n1cccn1 ZINC000449657455 875195755 /nfs/dbraw/zinc/19/57/55/875195755.db2.gz PDZKICHAKQLMJP-PWRODBHTSA-N 1 0 382.508 3.853 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(-n4ccnc4)cs3)C2)c(F)c1 ZINC000542247663 875245035 /nfs/dbraw/zinc/24/50/35/875245035.db2.gz SWZNTBNCMCDVKO-INIZCTEOSA-N 1 0 381.480 3.703 20 30 GHEDRO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccs1 ZINC000105419959 875290939 /nfs/dbraw/zinc/29/09/39/875290939.db2.gz LFNOMVXHICLSEI-UHFFFAOYSA-N 1 0 385.533 3.602 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc(OC)c1OC ZINC000105478188 875302802 /nfs/dbraw/zinc/30/28/02/875302802.db2.gz VZFFLOWLJDXXHI-UHFFFAOYSA-N 1 0 377.488 3.967 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)C[C@@H](CC#N)c3ccccc3)c2)CC1 ZINC000476720143 882925378 /nfs/dbraw/zinc/92/53/78/882925378.db2.gz QSKDSCQVWQFZJA-HXUWFJFHSA-N 1 0 376.504 3.855 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001201314646 875625988 /nfs/dbraw/zinc/62/59/88/875625988.db2.gz NZFJMALSQWDVBR-IEBWSBKVSA-N 1 0 395.478 3.727 20 30 GHEDRO Cc1ccc(F)c2[nH]c(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc21 ZINC000858218106 882949235 /nfs/dbraw/zinc/94/92/35/882949235.db2.gz MGWHJBHFKNETOS-UHFFFAOYSA-N 1 0 390.462 3.835 20 30 GHEDRO CCCCCCCCCCCC[N@@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001201631414 875774547 /nfs/dbraw/zinc/77/45/47/875774547.db2.gz SCSDWNROVGQUEY-QFIPXVFZSA-N 1 0 382.589 3.857 20 30 GHEDRO COCC1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCOCC1 ZINC000491579023 875804575 /nfs/dbraw/zinc/80/45/75/875804575.db2.gz MHLWJRGPEANCJB-UHFFFAOYSA-N 1 0 380.488 3.670 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529209628 875831623 /nfs/dbraw/zinc/83/16/23/875831623.db2.gz ALDVRFKHFZCPQE-IBGZPJMESA-N 1 0 392.503 3.738 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc(F)cc3OCC#N)CC2)CC1 ZINC000151719756 875850705 /nfs/dbraw/zinc/85/07/05/875850705.db2.gz RLFXSRGHJPTCRL-UHFFFAOYSA-N 1 0 388.487 3.893 20 30 GHEDRO CCCCCCCCC[N@@H+]1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001201847357 875902450 /nfs/dbraw/zinc/90/24/50/875902450.db2.gz VHLRIBBNEMINKI-HMXCVIKNSA-N 1 0 376.541 3.841 20 30 GHEDRO Cc1ccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2cccc(C)c2)c(C)c1 ZINC000151911947 876104681 /nfs/dbraw/zinc/10/46/81/876104681.db2.gz RBFBEENTJJLWIZ-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc1)C1CC1 ZINC000492053888 876172986 /nfs/dbraw/zinc/17/29/86/876172986.db2.gz GMWQAKDCOHISAD-UHFFFAOYSA-N 1 0 399.498 3.863 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCC[N@H+](C)C2CCCCC2)cc1C#N ZINC000785860066 876309565 /nfs/dbraw/zinc/30/95/65/876309565.db2.gz GOSXQYQHQMVWCC-UHFFFAOYSA-N 1 0 387.484 3.513 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)ccc1F ZINC000786113560 876454384 /nfs/dbraw/zinc/45/43/84/876454384.db2.gz NNARHLFUGRREJL-UHFFFAOYSA-N 1 0 381.451 3.836 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000529720129 876598065 /nfs/dbraw/zinc/59/80/65/876598065.db2.gz QAIOKPJSKPFAQF-HXUWFJFHSA-N 1 0 393.487 3.867 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)o1 ZINC000529721729 876601405 /nfs/dbraw/zinc/60/14/05/876601405.db2.gz XUIYLMCMDQGPPF-LJQANCHMSA-N 1 0 393.487 3.867 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](O)c3cccc4ccccc43)CC2)cc1 ZINC000850360230 876850060 /nfs/dbraw/zinc/85/00/60/876850060.db2.gz DODYFTJMQFJVTK-VWLOTQADSA-N 1 0 385.511 3.999 20 30 GHEDRO CCOc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492465323 876878210 /nfs/dbraw/zinc/87/82/10/876878210.db2.gz VXONGPJKCMHTRZ-UHFFFAOYSA-N 1 0 394.475 3.573 20 30 GHEDRO COc1ccccc1-c1cc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)on1 ZINC000850419250 876900441 /nfs/dbraw/zinc/90/04/41/876900441.db2.gz CHRBXVWMRIXJQL-UHFFFAOYSA-N 1 0 376.460 3.990 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1ccc(C#N)cc1 ZINC000850488108 876963503 /nfs/dbraw/zinc/96/35/03/876963503.db2.gz LCNWZWKWEDGKHS-QGZVFWFLSA-N 1 0 375.472 3.545 20 30 GHEDRO C=CC[NH+]1CCC(Nc2cc(Br)cnc2Br)CC1 ZINC000786806459 876965195 /nfs/dbraw/zinc/96/51/95/876965195.db2.gz VQZBLJVXMZODKZ-UHFFFAOYSA-N 1 0 375.108 3.669 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786856642 876985140 /nfs/dbraw/zinc/98/51/40/876985140.db2.gz UJQOTSIUAGPBRN-OXQOHEQNSA-N 1 0 378.476 3.748 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450869656 877003021 /nfs/dbraw/zinc/00/30/21/877003021.db2.gz YCBMABKRXLJVLT-VAKZPMALSA-N 1 0 399.560 3.814 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746636211 877160712 /nfs/dbraw/zinc/16/07/12/877160712.db2.gz LTBNNQSUTACKBW-GOSISDBHSA-N 1 0 396.878 3.937 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CC1 ZINC000477285679 877357603 /nfs/dbraw/zinc/35/76/03/877357603.db2.gz DHVAPFODGOLXCO-JOCHJYFZSA-N 1 0 391.515 3.742 20 30 GHEDRO N#CC1(NC(=O)C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CCCCC1 ZINC000451151403 877461395 /nfs/dbraw/zinc/46/13/95/877461395.db2.gz VOUUNLCBNDZHOH-UHFFFAOYSA-N 1 0 381.398 3.507 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000530308060 877505647 /nfs/dbraw/zinc/50/56/47/877505647.db2.gz DSCGBOBPGRIMKA-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cnn1-c1cccc(C#N)c1 ZINC000615269545 877574535 /nfs/dbraw/zinc/57/45/35/877574535.db2.gz RGWYALMNGTXTNB-INIZCTEOSA-N 1 0 394.523 3.548 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000530357522 877623882 /nfs/dbraw/zinc/62/38/82/877623882.db2.gz DMHOCCKZKGTJCB-RXVVDRJESA-N 1 0 378.476 3.912 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000237699582 877813997 /nfs/dbraw/zinc/81/39/97/877813997.db2.gz REWQLNXUDJDTKF-WMLDXEAASA-N 1 0 394.393 3.526 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000245453492 877904058 /nfs/dbraw/zinc/90/40/58/877904058.db2.gz RFDBNENMRDUAAQ-MSOLQXFVSA-N 1 0 388.581 3.683 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1C#N ZINC000451495860 878044002 /nfs/dbraw/zinc/04/40/02/878044002.db2.gz SZCXJCLPMFHJSS-IOMROCGXSA-N 1 0 396.535 3.577 20 30 GHEDRO CC1(C)Cc2cccc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2O1 ZINC000530556417 878053162 /nfs/dbraw/zinc/05/31/62/878053162.db2.gz RTTOKLYXIQWJRC-UHFFFAOYSA-N 1 0 390.487 3.621 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000852101323 878076599 /nfs/dbraw/zinc/07/65/99/878076599.db2.gz QIZASMAMWLPHNC-QHCPKHFHSA-N 1 0 393.487 3.668 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)s2)cs1 ZINC000551961298 878089832 /nfs/dbraw/zinc/08/98/32/878089832.db2.gz ZWORKVRGYUWPTO-INIZCTEOSA-N 1 0 399.541 3.776 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000788643921 878205144 /nfs/dbraw/zinc/20/51/44/878205144.db2.gz HRXOCLOCZJSJFV-OAHLLOKOSA-N 1 0 390.524 3.777 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000068310278 878286182 /nfs/dbraw/zinc/28/61/82/878286182.db2.gz CZUYIXARIJIHIX-UHFFFAOYSA-N 1 0 380.879 3.897 20 30 GHEDRO N#CCOc1ccc(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000110607212 878322987 /nfs/dbraw/zinc/32/29/87/878322987.db2.gz LVBPBSPWVGAPOI-UHFFFAOYSA-N 1 0 399.494 3.629 20 30 GHEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473539 878353639 /nfs/dbraw/zinc/35/36/39/878353639.db2.gz OSTOLTLJVFUBDE-MAUKXSAKSA-N 1 0 397.416 3.853 20 30 GHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCCOc3cccc(C#N)c3)ccc2NC1=O ZINC000180021314 878378783 /nfs/dbraw/zinc/37/87/83/878378783.db2.gz GYRVPLOBQMZLJF-YWZLYKJASA-N 1 0 379.460 3.787 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)CCCC1 ZINC000852587748 878444372 /nfs/dbraw/zinc/44/43/72/878444372.db2.gz DXCRBQQVBYQBTG-UHFFFAOYSA-N 1 0 395.503 3.651 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000180071688 878466263 /nfs/dbraw/zinc/46/62/63/878466263.db2.gz CHNBZSVRJKCDTO-MJGOQNOKSA-N 1 0 378.476 3.764 20 30 GHEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001170095433 878511908 /nfs/dbraw/zinc/51/19/08/878511908.db2.gz RLPUVMKDZDKSHO-NRFANRHFSA-N 1 0 398.547 3.928 20 30 GHEDRO O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000788978843 878526291 /nfs/dbraw/zinc/52/62/91/878526291.db2.gz YTQWSDYUIVBBPW-VHSXEESVSA-N 1 0 385.226 3.571 20 30 GHEDRO CO[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000451834827 878546931 /nfs/dbraw/zinc/54/69/31/878546931.db2.gz ANQRZSQCRUDBEX-KFKAGJAMSA-N 1 0 387.549 3.766 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460780122 878550303 /nfs/dbraw/zinc/55/03/03/878550303.db2.gz QNAPXHZKLQHBKF-SESVDKBCSA-N 1 0 395.551 3.662 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460780886 878551768 /nfs/dbraw/zinc/55/17/68/878551768.db2.gz ICPDKUVBBYIZEC-CTNGQTDRSA-N 1 0 381.568 3.920 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)CN2CC3(CCC3)[C@H]2c2ccco2)c(OC)c1 ZINC000451845787 878596403 /nfs/dbraw/zinc/59/64/03/878596403.db2.gz VNEFYYUZOSMREE-XMSQKQJNSA-N 1 0 383.488 3.984 20 30 GHEDRO COCCc1ccc(Oc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)cc1 ZINC000852837672 878628684 /nfs/dbraw/zinc/62/86/84/878628684.db2.gz ZAPYGKNITYAODP-UHFFFAOYSA-N 1 0 378.472 3.609 20 30 GHEDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000451895955 878655345 /nfs/dbraw/zinc/65/53/45/878655345.db2.gz RQWPKJQFENVICJ-KGLIPLIRSA-N 1 0 385.537 3.783 20 30 GHEDRO CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530863872 878658874 /nfs/dbraw/zinc/65/88/74/878658874.db2.gz SLLKSGAWHJTCBM-OAQYLSRUSA-N 1 0 387.487 3.705 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)CCC[NH2+]1 ZINC000852939653 878661438 /nfs/dbraw/zinc/66/14/38/878661438.db2.gz VJZHMHQRYAQNKK-QHCPKHFHSA-N 1 0 394.494 3.687 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(OCCCO)CC2)c1 ZINC000093694850 912388279 /nfs/dbraw/zinc/38/82/79/912388279.db2.gz PFWUWXNCWXYYAW-UHFFFAOYSA-N 1 0 380.488 3.501 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000538186970 878999546 /nfs/dbraw/zinc/99/95/46/878999546.db2.gz DMYUHLZTZPLHRN-AVRDEDQJSA-N 1 0 377.488 3.691 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000538186973 878999822 /nfs/dbraw/zinc/99/98/22/878999822.db2.gz DMYUHLZTZPLHRN-GCJKJVERSA-N 1 0 377.488 3.691 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000068778836 879016040 /nfs/dbraw/zinc/01/60/40/879016040.db2.gz YTRNMWHXRTYLRB-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000597426902 879054776 /nfs/dbraw/zinc/05/47/76/879054776.db2.gz MNUMWKOPEHCLOF-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000538235258 879095144 /nfs/dbraw/zinc/09/51/44/879095144.db2.gz IUPIKWNIUCPKHK-GCJKJVERSA-N 1 0 377.488 3.691 20 30 GHEDRO C=CC[C@@H]1CCCN(Cn2nc(CC[NH+]3CCCCC3)n(CC=C)c2=S)C1 ZINC000853536928 879096743 /nfs/dbraw/zinc/09/67/43/879096743.db2.gz ZDYGGJXXTASZDR-LJQANCHMSA-N 1 0 389.613 3.874 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246216438 879236633 /nfs/dbraw/zinc/23/66/33/879236633.db2.gz OLSNEWUZIVGKAR-QZTJIDSGSA-N 1 0 388.581 3.683 20 30 GHEDRO C#C[C@H](NC(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000853729964 879247945 /nfs/dbraw/zinc/24/79/45/879247945.db2.gz KXSPXAUUENKMNJ-NQIIRXRSSA-N 1 0 385.552 3.624 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(C#N)c1Br ZINC000452343883 879316086 /nfs/dbraw/zinc/31/60/86/879316086.db2.gz MBUDIIWOBNBAKR-HNNXBMFYSA-N 1 0 378.314 3.561 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854107819 879545218 /nfs/dbraw/zinc/54/52/18/879545218.db2.gz SPTSIRQVILOWCC-UHFFFAOYSA-N 1 0 396.510 3.887 20 30 GHEDRO CN(c1ccccc1C=[NH+][N-]c1cccc(F)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000790308407 879609832 /nfs/dbraw/zinc/60/98/32/879609832.db2.gz ABLVYBVSVLZXLT-UHFFFAOYSA-N 1 0 385.443 3.710 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(C#N)c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000854234644 879650676 /nfs/dbraw/zinc/65/06/76/879650676.db2.gz GRRPAFYDXVTAJZ-NRFANRHFSA-N 1 0 393.487 3.532 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000790370430 879673887 /nfs/dbraw/zinc/67/38/87/879673887.db2.gz AGPOWKJQHQEKEG-SFHVURJKSA-N 1 0 378.369 3.615 20 30 GHEDRO C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790535205 879802070 /nfs/dbraw/zinc/80/20/70/879802070.db2.gz YJVTTZZBWSBDRV-GCJKJVERSA-N 1 0 393.572 3.569 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000285914795 912499170 /nfs/dbraw/zinc/49/91/70/912499170.db2.gz ZHKUDKAZWNBPEU-INIZCTEOSA-N 1 0 394.494 3.712 20 30 GHEDRO N#Cc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000461446733 879834000 /nfs/dbraw/zinc/83/40/00/879834000.db2.gz PVZKJNPIIWKUFD-GOSISDBHSA-N 1 0 387.443 3.513 20 30 GHEDRO N#Cc1ccc(N2CCC(Nc3ccccc3C[NH+]3CCC(O)CC3)CC2)cc1 ZINC000285996754 912529556 /nfs/dbraw/zinc/52/95/56/912529556.db2.gz HHFUACNHNIWEQV-UHFFFAOYSA-N 1 0 390.531 3.596 20 30 GHEDRO Cc1cc(NC(=O)Cc2ccccc2CC#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000791119139 880216600 /nfs/dbraw/zinc/21/66/00/880216600.db2.gz KTPKMUCSGTZDON-UHFFFAOYSA-N 1 0 390.531 3.773 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)c2)CC1 ZINC000184895989 880410769 /nfs/dbraw/zinc/41/07/69/880410769.db2.gz QFHCMUSQVITGNR-QFIPXVFZSA-N 1 0 391.519 3.995 20 30 GHEDRO COC(=O)COc1ccc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000185654080 880647917 /nfs/dbraw/zinc/64/79/17/880647917.db2.gz BFJAFSAFHWNFRI-HNNXBMFYSA-N 1 0 391.389 3.960 20 30 GHEDRO N#CCOc1cccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000791767807 880696490 /nfs/dbraw/zinc/69/64/90/880696490.db2.gz IJVOPRQPCGGXBD-UHFFFAOYSA-N 1 0 396.413 3.516 20 30 GHEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000531970315 880846314 /nfs/dbraw/zinc/84/63/14/880846314.db2.gz HKZSXBNCERIIAW-PXNSSMCTSA-N 1 0 394.494 3.982 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000453413830 880877710 /nfs/dbraw/zinc/87/77/10/880877710.db2.gz LXZZWRLTOKQJIQ-WCIQWLHISA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCn1c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nnc1[C@]1(C)CCCO1 ZINC000453442394 880906087 /nfs/dbraw/zinc/90/60/87/880906087.db2.gz PIWCZPRIJIAFKK-UGKGYDQZSA-N 1 0 387.572 3.582 20 30 GHEDRO CC(C)Oc1ccc([C@H](O)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000286195394 912620978 /nfs/dbraw/zinc/62/09/78/912620978.db2.gz RKWJTYIMBUYHGB-HSZRJFAPSA-N 1 0 379.504 3.637 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000453426682 880925562 /nfs/dbraw/zinc/92/55/62/880925562.db2.gz SVCVJWNPPFBIJG-ICSRJNTNSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453452285 881008414 /nfs/dbraw/zinc/00/84/14/881008414.db2.gz SUWMBDLMIIQWAV-UHFFFAOYSA-N 1 0 383.540 3.580 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000113981228 881022777 /nfs/dbraw/zinc/02/27/77/881022777.db2.gz JYDBMJYNASYYEO-FPOVZHCZSA-N 1 0 386.540 3.677 20 30 GHEDRO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000792334712 881065262 /nfs/dbraw/zinc/06/52/62/881065262.db2.gz CNQHWQKLXMYJEH-QHCPKHFHSA-N 1 0 378.472 3.729 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000919917558 881142653 /nfs/dbraw/zinc/14/26/53/881142653.db2.gz HXNMAUMWILPHEY-UHFFFAOYSA-N 1 0 380.492 3.595 20 30 GHEDRO C#Cc1ccc(-c2nc(-c3ccc(OCC[NH+](CC)CC)c(OC)c3)no2)cn1 ZINC000761662922 883124217 /nfs/dbraw/zinc/12/42/17/883124217.db2.gz CXYZOFOAWCYZRG-UHFFFAOYSA-N 1 0 392.459 3.509 20 30 GHEDRO C[NH+](C)CCCC1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000123201885 883200034 /nfs/dbraw/zinc/20/00/34/883200034.db2.gz DUGWDQIYOUGULE-UHFFFAOYSA-N 1 0 380.536 3.791 20 30 GHEDRO COc1cccc(N2CC[C@@H](C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)c1 ZINC000286326082 912692485 /nfs/dbraw/zinc/69/24/85/912692485.db2.gz XTTOZBVYKMHIOV-FQEVSTJZSA-N 1 0 390.531 3.652 20 30 GHEDRO CCC(CC)(CNC(=O)CNc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000609549899 883362764 /nfs/dbraw/zinc/36/27/64/883362764.db2.gz PZGQPNTUOPWRRS-GOSISDBHSA-N 1 0 378.520 3.996 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3F)CC2)cc1 ZINC000609553259 883365336 /nfs/dbraw/zinc/36/53/36/883365336.db2.gz LMQNTPHUFBZPSZ-NRFANRHFSA-N 1 0 382.479 3.586 20 30 GHEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000609554202 883365938 /nfs/dbraw/zinc/36/59/38/883365938.db2.gz VPVMDTKYQSKMPE-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cn4cc(Cl)ccc4n3)C2)c(F)c1 ZINC000609600778 883404311 /nfs/dbraw/zinc/40/43/11/883404311.db2.gz RQYMOOQEGBNBME-INIZCTEOSA-N 1 0 383.858 3.757 20 30 GHEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C[C@H]1CCOC1 ZINC000609631777 883489676 /nfs/dbraw/zinc/48/96/76/883489676.db2.gz WJEITEQZJZACQE-GOSISDBHSA-N 1 0 386.540 3.779 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000609638380 883494322 /nfs/dbraw/zinc/49/43/22/883494322.db2.gz WAQHNIOYTUJPPB-LJQANCHMSA-N 1 0 378.476 3.743 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000609659699 883500078 /nfs/dbraw/zinc/50/00/78/883500078.db2.gz OFGCDBPXBCHKJT-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+]C2C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1=O ZINC001170472686 883515826 /nfs/dbraw/zinc/51/58/26/883515826.db2.gz BQGDBXVNMQWNOF-FHWLQOOXSA-N 1 0 393.572 3.710 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000805014169 883531277 /nfs/dbraw/zinc/53/12/77/883531277.db2.gz SBHXHRLAPKPOAY-BJKOFHAPSA-N 1 0 389.543 3.832 20 30 GHEDRO CCCC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000494783615 883604795 /nfs/dbraw/zinc/60/47/95/883604795.db2.gz RTXLBRDKQAMKOO-GOSISDBHSA-N 1 0 398.551 3.621 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Cl)cc1F ZINC000805123900 883608015 /nfs/dbraw/zinc/60/80/15/883608015.db2.gz UFKGNEJOIZGSJB-LJQANCHMSA-N 1 0 391.849 3.854 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1F ZINC000805169233 883652333 /nfs/dbraw/zinc/65/23/33/883652333.db2.gz ASYBFIWRYMILBX-IBGZPJMESA-N 1 0 377.891 3.860 20 30 GHEDRO C#CCC[NH+]1CCN(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)CC1 ZINC000859213065 883665812 /nfs/dbraw/zinc/66/58/12/883665812.db2.gz LNAXSKIODTWZJP-UHFFFAOYSA-N 1 0 381.373 3.640 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc(OC)c1O ZINC000749926938 883755761 /nfs/dbraw/zinc/75/57/61/883755761.db2.gz QXUALSCOACUNHH-SFHVURJKSA-N 1 0 386.879 3.678 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000122052823 883806433 /nfs/dbraw/zinc/80/64/33/883806433.db2.gz CCFQNLUFXNXMTC-UHFFFAOYSA-N 1 0 385.458 3.750 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2c(C)cc(C)nc2OCc2ccccc2)CC1 ZINC000805451628 883856324 /nfs/dbraw/zinc/85/63/24/883856324.db2.gz BGHWUPZQBOBGKR-UHFFFAOYSA-N 1 0 392.499 3.666 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465437122 883869145 /nfs/dbraw/zinc/86/91/45/883869145.db2.gz WDQOHMHAHDZUFM-ZLNRFVROSA-N 1 0 388.515 3.742 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)CC1 ZINC000494811927 883898662 /nfs/dbraw/zinc/89/86/62/883898662.db2.gz QWFPISZFTVWQIM-UHFFFAOYSA-N 1 0 386.927 3.860 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001126661620 883968731 /nfs/dbraw/zinc/96/87/31/883968731.db2.gz KGJMCCKWGAWBFL-PKTZIBPZSA-N 1 0 378.516 3.786 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612101903 884005674 /nfs/dbraw/zinc/00/56/74/884005674.db2.gz WMGSBTPNYVZIIC-XPWALMASSA-N 1 0 388.515 3.658 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)Cc2cccc(OCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000760407370 884068226 /nfs/dbraw/zinc/06/82/26/884068226.db2.gz SFKOEZGWRPSKNH-KNQAVFIVSA-N 1 0 391.515 3.548 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)C1 ZINC000498338482 884103683 /nfs/dbraw/zinc/10/36/83/884103683.db2.gz DFNKWVSDWWRXHB-RTBURBONSA-N 1 0 375.516 3.895 20 30 GHEDRO CN(C)C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000859847177 884118590 /nfs/dbraw/zinc/11/85/90/884118590.db2.gz CUMMCAVEUYFHQP-OALUTQOASA-N 1 0 378.303 3.791 20 30 GHEDRO CCSc1ccc([C@@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)cc1 ZINC001168474327 884267898 /nfs/dbraw/zinc/26/78/98/884267898.db2.gz JELSFZNRPJKXJC-MRXNPFEDSA-N 1 0 378.497 3.749 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000495039448 884420832 /nfs/dbraw/zinc/42/08/32/884420832.db2.gz IVBGEWUMXNWZIG-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000556306849 884435053 /nfs/dbraw/zinc/43/50/53/884435053.db2.gz IUQUISMNOQGYOX-VSKRKVRLSA-N 1 0 383.536 3.566 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000556306850 884435142 /nfs/dbraw/zinc/43/51/42/884435142.db2.gz IUQUISMNOQGYOX-YPAWHYETSA-N 1 0 383.536 3.566 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495069835 884495319 /nfs/dbraw/zinc/49/53/19/884495319.db2.gz UWKJLNHTHZJDQZ-MGPUTAFESA-N 1 0 393.936 3.607 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC001275249108 912833935 /nfs/dbraw/zinc/83/39/35/912833935.db2.gz XVXCDFROXWVBDN-FQEVSTJZSA-N 1 0 375.900 3.554 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NN2C(=S)N=NC2c2ccco2)c1C ZINC000914691424 884522941 /nfs/dbraw/zinc/52/29/41/884522941.db2.gz DAUURMDDLPLTOY-KRWDZBQOSA-N 1 0 398.536 3.612 20 30 GHEDRO CCOc1cccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000532409601 884760628 /nfs/dbraw/zinc/76/06/28/884760628.db2.gz FYQOVBMHIHXTJP-UHFFFAOYSA-N 1 0 379.504 3.731 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCCC2)cc1 ZINC000860575150 884819401 /nfs/dbraw/zinc/81/94/01/884819401.db2.gz BIUMXRJTRUASAY-UHFFFAOYSA-N 1 0 388.515 3.798 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000806808702 885008095 /nfs/dbraw/zinc/00/80/95/885008095.db2.gz LJOIXVVQUYDRPN-WEYGHZABSA-N 1 0 394.519 3.858 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC(=O)Nc1cccc(C#N)c1 ZINC000103474907 885023614 /nfs/dbraw/zinc/02/36/14/885023614.db2.gz WLCPJSNAMPNKGW-UHFFFAOYSA-N 1 0 387.487 3.842 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000191469562 885058011 /nfs/dbraw/zinc/05/80/11/885058011.db2.gz JQXKRWXMFMQERB-HNNXBMFYSA-N 1 0 399.564 3.607 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc(C#N)c1 ZINC000610728350 885098136 /nfs/dbraw/zinc/09/81/36/885098136.db2.gz FUMFUKSSQREOMB-QGZVFWFLSA-N 1 0 399.922 3.773 20 30 GHEDRO COc1cccc(Cl)c1CN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001275276711 912911457 /nfs/dbraw/zinc/91/14/57/912911457.db2.gz LNNFNGUSNAPFQR-FQEVSTJZSA-N 1 0 375.900 3.609 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460387034 885235512 /nfs/dbraw/zinc/23/55/12/885235512.db2.gz NVZAUSCEDOYWPY-FQEVSTJZSA-N 1 0 388.519 3.627 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487889872 885274788 /nfs/dbraw/zinc/27/47/88/885274788.db2.gz ALLDYJPLYONMJJ-UHFFFAOYSA-N 1 0 379.302 3.564 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000121864802 885391977 /nfs/dbraw/zinc/39/19/77/885391977.db2.gz VUOWIUOXQGQRCZ-DLBZAZTESA-N 1 0 387.505 3.910 20 30 GHEDRO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c(Br)c1 ZINC001137638248 885400825 /nfs/dbraw/zinc/40/08/25/885400825.db2.gz YYBVRTCPOHWUEU-UHFFFAOYSA-N 1 0 382.305 3.639 20 30 GHEDRO CC[NH+](CC)CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000071998156 885417459 /nfs/dbraw/zinc/41/74/59/885417459.db2.gz HHOMUPOEFGIGSD-UHFFFAOYSA-N 1 0 380.492 3.795 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1 ZINC000747404669 885544539 /nfs/dbraw/zinc/54/45/39/885544539.db2.gz NBVQPXYVVHAPCH-UHFFFAOYSA-N 1 0 396.516 3.610 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807739819 885675403 /nfs/dbraw/zinc/67/54/03/885675403.db2.gz PJYGXXCXLNCEDU-OXJNMPFZSA-N 1 0 388.471 3.643 20 30 GHEDRO N#CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001275281904 912963175 /nfs/dbraw/zinc/96/31/75/912963175.db2.gz JKYJOYLMPNQFQV-LJQANCHMSA-N 1 0 394.302 3.638 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1cccc(OC)c1 ZINC000495405649 885698822 /nfs/dbraw/zinc/69/88/22/885698822.db2.gz ALFIGDMRRVHWTQ-HXUWFJFHSA-N 1 0 396.491 3.780 20 30 GHEDRO COc1ccc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1C#N ZINC000747435317 885870887 /nfs/dbraw/zinc/87/08/87/885870887.db2.gz GZALYVQFXXJCIA-SFHVURJKSA-N 1 0 398.551 3.753 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2C(F)(F)F)CCOCC1 ZINC001184054732 912986509 /nfs/dbraw/zinc/98/65/09/912986509.db2.gz LVJDLWWFKMGDBC-INIZCTEOSA-N 1 0 396.453 3.520 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(C(=O)NCCCC)CC1 ZINC000915207368 885994090 /nfs/dbraw/zinc/99/40/90/885994090.db2.gz WVTVTIUHNRGGSP-UHFFFAOYSA-N 1 0 386.565 3.900 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCc2cc(-c3ccccc3)no2)CC1 ZINC000106275503 886030811 /nfs/dbraw/zinc/03/08/11/886030811.db2.gz APPSINMVVGEVBP-UHFFFAOYSA-N 1 0 396.535 3.956 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)c(F)c1 ZINC000532569679 886133536 /nfs/dbraw/zinc/13/35/36/886133536.db2.gz PWLGSVOLJZTZCS-AWEZNQCLSA-N 1 0 382.357 3.537 20 30 GHEDRO CCOc1cccc(/C=C\C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000862137635 886148409 /nfs/dbraw/zinc/14/84/09/886148409.db2.gz MJQXRPPIFLXJHR-KTKRTIGZSA-N 1 0 389.499 3.751 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCCOCC)cc1 ZINC000762439918 886224963 /nfs/dbraw/zinc/22/49/63/886224963.db2.gz ICAQFLJEGLHXMH-UHFFFAOYSA-O 1 0 396.536 3.636 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000919763914 886315648 /nfs/dbraw/zinc/31/56/48/886315648.db2.gz ZAUOBQZBKQXFJT-APWZRJJASA-N 1 0 388.471 3.816 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000644103513 913039539 /nfs/dbraw/zinc/03/95/39/913039539.db2.gz RDTAPFXANQMCSQ-UHFFFAOYSA-N 1 0 377.366 3.563 20 30 GHEDRO N#CCC[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000131733553 886503608 /nfs/dbraw/zinc/50/36/08/886503608.db2.gz FBQLJGOZXADSEJ-JOCHJYFZSA-N 1 0 376.504 3.779 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1OC ZINC000556909784 886634307 /nfs/dbraw/zinc/63/43/07/886634307.db2.gz LNPOMYKEMFKXBO-QGZVFWFLSA-N 1 0 396.325 3.902 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)CC1 ZINC000863032701 886832807 /nfs/dbraw/zinc/83/28/07/886832807.db2.gz AVYAIOGYXBBVGZ-UHFFFAOYSA-N 1 0 395.315 3.796 20 30 GHEDRO C=C(C)CS(=O)(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001211920251 886862591 /nfs/dbraw/zinc/86/25/91/886862591.db2.gz WQDDZHQKNKARHJ-HXUWFJFHSA-N 1 0 376.566 3.515 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNC[C@@H]2COc3ccccc3O2)CC1 ZINC000863198878 886916116 /nfs/dbraw/zinc/91/61/16/886916116.db2.gz OKQJQMPUCXXWBP-BPGUCPLFSA-N 1 0 379.504 3.847 20 30 GHEDRO C[C@@H](O)C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000104964978 886988287 /nfs/dbraw/zinc/98/82/87/886988287.db2.gz SIKOGAKVAQYNNY-MRXNPFEDSA-N 1 0 377.916 3.602 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c(OC)c1 ZINC000863301522 887014306 /nfs/dbraw/zinc/01/43/06/887014306.db2.gz DZHIKUYNDDXLQI-QAPCUYQASA-N 1 0 375.509 3.929 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC[C@H](O)C[NH+]3CCCC3)cc2Cl)c1 ZINC000863555446 887208688 /nfs/dbraw/zinc/20/86/88/887208688.db2.gz DUBZFWGKGFRCRH-IBGZPJMESA-N 1 0 385.895 3.659 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH2+]CC2(C#N)CCOCC2)C1 ZINC001184276275 913126990 /nfs/dbraw/zinc/12/69/90/913126990.db2.gz GKHKZTIJVFFOKB-PMACEKPBSA-N 1 0 399.535 3.690 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1=S ZINC000153668461 887261080 /nfs/dbraw/zinc/26/10/80/887261080.db2.gz SGLOPRFMVCMUGZ-GOSISDBHSA-N 1 0 389.544 3.636 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000915732271 887371682 /nfs/dbraw/zinc/37/16/82/887371682.db2.gz XLEPUPSPORXFQA-VQHVLOKHSA-N 1 0 384.520 3.608 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188747414 887425491 /nfs/dbraw/zinc/42/54/91/887425491.db2.gz IZNRBJWRGAWRIB-LJQANCHMSA-N 1 0 393.491 3.550 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000670227613 887559772 /nfs/dbraw/zinc/55/97/72/887559772.db2.gz YSHJJLCIJVVTHU-UHFFFAOYSA-N 1 0 382.556 3.942 20 30 GHEDRO C#Cc1ccc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000809619592 887591089 /nfs/dbraw/zinc/59/10/89/887591089.db2.gz UTQIZTLBJQLHRR-UHFFFAOYSA-N 1 0 385.305 3.569 20 30 GHEDRO C#Cc1ccc(C[NH2+]C2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)cc1 ZINC000809642605 887646471 /nfs/dbraw/zinc/64/64/71/887646471.db2.gz HXRFLJFEDOWGHI-UHFFFAOYSA-N 1 0 378.472 3.726 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670234340 887805689 /nfs/dbraw/zinc/80/56/89/887805689.db2.gz LPHQXRABBMUBCO-IRXDYDNUSA-N 1 0 387.503 3.664 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1)C(C)(C)C ZINC000809782129 887835247 /nfs/dbraw/zinc/83/52/47/887835247.db2.gz ISJUVEVNMUBKJL-FQEVSTJZSA-N 1 0 385.460 3.791 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000194004471 887925678 /nfs/dbraw/zinc/92/56/78/887925678.db2.gz IYTKMDZYUQMGAT-UHFFFAOYSA-N 1 0 397.544 3.887 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](Oc4ccc(Cl)cc4)C3)C2=O)cc1 ZINC001170594869 888082657 /nfs/dbraw/zinc/08/26/57/888082657.db2.gz YERKVGILIBHCNL-LEWJYISDSA-N 1 0 395.890 3.860 20 30 GHEDRO Cc1c(C#N)ccnc1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170596429 888126328 /nfs/dbraw/zinc/12/63/28/888126328.db2.gz VKELWLZTEWXZQI-QHCPKHFHSA-N 1 0 386.499 3.737 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1Cn1cccn1 ZINC000810250754 888352131 /nfs/dbraw/zinc/35/21/31/888352131.db2.gz PNOYZVGFQHKXFM-MRXNPFEDSA-N 1 0 376.460 3.671 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000763224976 888370878 /nfs/dbraw/zinc/37/08/78/888370878.db2.gz HHFFJFVBKIWBHS-QFIPXVFZSA-N 1 0 388.467 3.969 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000794842196 888386189 /nfs/dbraw/zinc/38/61/89/888386189.db2.gz QFUSBZNJDPOJDJ-KDOFPFPSSA-N 1 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ZINC000916307003 888909049 /nfs/dbraw/zinc/90/90/49/888909049.db2.gz MGCNHRKQHONPJV-UHFFFAOYSA-N 1 0 384.524 3.678 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C)c1 ZINC000916306963 888909302 /nfs/dbraw/zinc/90/93/02/888909302.db2.gz JLGKGKBTGZFBSN-UHFFFAOYSA-N 1 0 380.561 3.848 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)O[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000810850515 888911970 /nfs/dbraw/zinc/91/19/70/888911970.db2.gz MHLRQNBHHCEGBM-UNMCSNQZSA-N 1 0 376.456 3.921 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000496688959 888986999 /nfs/dbraw/zinc/98/69/99/888986999.db2.gz OJSZQKZQQUTCDL-JOCHJYFZSA-N 1 0 385.552 3.932 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000763408963 889232992 /nfs/dbraw/zinc/23/29/92/889232992.db2.gz QXAJISCIPVWEJK-LJQANCHMSA-N 1 0 387.524 3.906 20 30 GHEDRO C=CC[C@@H](C)NC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000454531799 889277131 /nfs/dbraw/zinc/27/71/31/889277131.db2.gz SCONSWWVJYHDND-QGZVFWFLSA-N 1 0 390.959 3.601 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1F ZINC000868128329 889310775 /nfs/dbraw/zinc/31/07/75/889310775.db2.gz LELNKWLZRPWZDF-ZWKOTPCHSA-N 1 0 380.423 3.848 20 30 GHEDRO C[C@H](NC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000868323805 889398213 /nfs/dbraw/zinc/39/82/13/889398213.db2.gz CHMCZQSVJYWDKH-SFHVURJKSA-N 1 0 388.515 3.808 20 30 GHEDRO N#Cc1cccc(C2(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000747705891 889465804 /nfs/dbraw/zinc/46/58/04/889465804.db2.gz LSUQOFHYLCIVSS-UHFFFAOYSA-N 1 0 390.556 3.676 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000454704864 889575390 /nfs/dbraw/zinc/57/53/90/889575390.db2.gz XHAAGEFDJUNREM-UHFFFAOYSA-N 1 0 385.577 3.605 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000811476762 889664264 /nfs/dbraw/zinc/66/42/64/889664264.db2.gz ZNKKHRKEIQCAAA-LBPRGKRZSA-N 1 0 397.422 3.799 20 30 GHEDRO O=C1CC[C@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]2N1C1CC1 ZINC000245768221 889677384 /nfs/dbraw/zinc/67/73/84/889677384.db2.gz JWEXDNKEWCUOEM-LPHOPBHVSA-N 1 0 376.422 3.532 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)sc2c1CCCC2 ZINC000533080709 889707986 /nfs/dbraw/zinc/70/79/86/889707986.db2.gz QSUPNLHJMDGARH-HOTGVXAUSA-N 1 0 387.549 3.576 20 30 GHEDRO C=CCCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454809800 889804507 /nfs/dbraw/zinc/80/45/07/889804507.db2.gz KFLUAFKEBJEISE-NRFANRHFSA-N 1 0 385.552 3.571 20 30 GHEDRO CCCCCCCC[C@H](C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001133134427 890268880 /nfs/dbraw/zinc/26/88/80/890268880.db2.gz PEPCWGXXNXSMIR-IBGZPJMESA-N 1 0 379.589 3.706 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NCc3ccc(N(C)CCC#N)cc3)cc2)CC1 ZINC000916840631 890280841 /nfs/dbraw/zinc/28/08/41/890280841.db2.gz ODAMVMGPXHCRSG-UHFFFAOYSA-N 1 0 377.536 3.790 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccc(F)cc1 ZINC000812315206 890530438 /nfs/dbraw/zinc/53/04/38/890530438.db2.gz RILBAGHIRORFQC-NRFANRHFSA-N 1 0 394.494 3.772 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C1CCC1 ZINC000533437194 890561554 /nfs/dbraw/zinc/56/15/54/890561554.db2.gz ZDBLSRBSCQBTBM-UHFFFAOYSA-N 1 0 380.492 3.787 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000455325393 890786714 /nfs/dbraw/zinc/78/67/14/890786714.db2.gz FTVUWGROBNWSIG-UHFFFAOYSA-N 1 0 376.504 3.754 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1=CC[N@H+](C)CC1 ZINC000543758148 913495406 /nfs/dbraw/zinc/49/54/06/913495406.db2.gz VNTDYDXMNZXCCG-QGZVFWFLSA-N 1 0 375.472 3.517 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000871642592 890957434 /nfs/dbraw/zinc/95/74/34/890957434.db2.gz LOJAXTNFFBCNEA-FGTMMUONSA-N 1 0 376.570 3.542 20 30 GHEDRO Cc1cc(C)c(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1 ZINC000455462270 890982843 /nfs/dbraw/zinc/98/28/43/890982843.db2.gz BOTNVZYZEIHPPP-UHFFFAOYSA-N 1 0 391.475 3.761 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(CC#N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000871724777 890992119 /nfs/dbraw/zinc/99/21/19/890992119.db2.gz IHUXCYNVLIWKJH-PXNSSMCTSA-N 1 0 377.492 3.664 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812844519 891033588 /nfs/dbraw/zinc/03/35/88/891033588.db2.gz VUUVSOKTTHATAI-LJQANCHMSA-N 1 0 378.394 3.759 20 30 GHEDRO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000872110680 891160101 /nfs/dbraw/zinc/16/01/01/891160101.db2.gz MWWCSRQJAUQAEY-QMMMGPOBSA-N 1 0 397.312 3.505 20 30 GHEDRO C=CC1(CC(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000825586764 891201451 /nfs/dbraw/zinc/20/14/51/891201451.db2.gz KRZVGETVNNNMCU-ZWKOTPCHSA-N 1 0 393.572 3.521 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)CCOCC1 ZINC000872238572 891214704 /nfs/dbraw/zinc/21/47/04/891214704.db2.gz IPZHQWUPIMMUGO-GHTZIAJQSA-N 1 0 396.535 3.845 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc3cnccc3o2)c(OC)c1 ZINC000872239848 891215206 /nfs/dbraw/zinc/21/52/06/891215206.db2.gz LLRQPFIDWFFGEI-YJBOKZPZSA-N 1 0 382.460 3.655 20 30 GHEDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000813195305 891357435 /nfs/dbraw/zinc/35/74/35/891357435.db2.gz QJQIDLWTBXTFSM-HSZRJFAPSA-N 1 0 388.515 3.786 20 30 GHEDRO CC1(C)CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000609254228 891459176 /nfs/dbraw/zinc/45/91/76/891459176.db2.gz GKWNAPHZEWWVIG-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873698825 891763114 /nfs/dbraw/zinc/76/31/14/891763114.db2.gz SZTNBNSINADOCN-UHFFFAOYSA-N 1 0 385.478 3.804 20 30 GHEDRO Cc1cc(Cl)c(C#N)c(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)n1 ZINC001170714567 892077874 /nfs/dbraw/zinc/07/78/74/892077874.db2.gz GSAZOPJVOQUEKN-IYARVYRRSA-N 1 0 387.959 3.666 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1[NH+](C)C ZINC000497653327 892105070 /nfs/dbraw/zinc/10/50/70/892105070.db2.gz YGFJPSQDMYMEIM-WOJBJXKFSA-N 1 0 396.516 3.860 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192093906 892235059 /nfs/dbraw/zinc/23/50/59/892235059.db2.gz VHYDMXFNBAWVDW-DOTOQJQBSA-N 1 0 393.871 3.861 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262259444 892247101 /nfs/dbraw/zinc/24/71/01/892247101.db2.gz QXYVTMQFHCAIEG-ZWKOTPCHSA-N 1 0 390.405 3.837 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(CO)c1 ZINC000154501148 892452550 /nfs/dbraw/zinc/45/25/50/892452550.db2.gz RAVBEPTVGPPBGA-INIZCTEOSA-O 1 0 385.553 3.917 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)C(C)C ZINC000455609685 892712480 /nfs/dbraw/zinc/71/24/80/892712480.db2.gz CCAXLMASQOYTFX-CEXWTWQISA-N 1 0 391.581 3.966 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1sccc1CC#N ZINC000875692596 892763077 /nfs/dbraw/zinc/76/30/77/892763077.db2.gz NPEJLNWYFXEDHN-UHFFFAOYSA-N 1 0 399.516 3.874 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000271748175 892876623 /nfs/dbraw/zinc/87/66/23/892876623.db2.gz KBCFFTVBYUCFCV-SFHVURJKSA-N 1 0 395.503 3.520 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000814659742 893020812 /nfs/dbraw/zinc/02/08/12/893020812.db2.gz AHWLBLANIBIXJP-INIZCTEOSA-N 1 0 392.459 3.584 20 30 GHEDRO CC(C)(C)OC(=O)NC(=C[NH2+]Nc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000814694711 893082672 /nfs/dbraw/zinc/08/26/72/893082672.db2.gz VYWMONOQUZHISY-NSHDSACASA-N 1 0 376.335 3.838 20 30 GHEDRO C#Cc1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC001134652688 893156668 /nfs/dbraw/zinc/15/66/68/893156668.db2.gz KEGJFAJOGGWIKV-UHFFFAOYSA-N 1 0 381.907 3.862 20 30 GHEDRO CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(C[NH+](C)C)cc1 ZINC000814829023 893220803 /nfs/dbraw/zinc/22/08/03/893220803.db2.gz XQJDCWQXVBTCGV-UHFFFAOYSA-N 1 0 381.448 3.581 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C ZINC000876589191 893241215 /nfs/dbraw/zinc/24/12/15/893241215.db2.gz KESRJBPPOIKQTC-DCGLDWPTSA-N 1 0 377.916 3.522 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000455771299 893252978 /nfs/dbraw/zinc/25/29/78/893252978.db2.gz YOOHPIJCDQNEGY-OAHLLOKOSA-N 1 0 383.883 3.592 20 30 GHEDRO N#Cc1ncc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1Cl ZINC000455789772 893284197 /nfs/dbraw/zinc/28/41/97/893284197.db2.gz PDIBEUSLHLJQSC-OAHLLOKOSA-N 1 0 375.904 3.727 20 30 GHEDRO N#Cc1ncc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000455776349 893296172 /nfs/dbraw/zinc/29/61/72/893296172.db2.gz FLDFCMOKIDHBHU-UHFFFAOYSA-N 1 0 387.846 3.532 20 30 GHEDRO CCN(C(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1)c1cccc2ccccc21 ZINC000918185389 893324113 /nfs/dbraw/zinc/32/41/13/893324113.db2.gz KHIQPKODSHJHBS-UHFFFAOYSA-N 1 0 390.487 3.596 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000877033877 893449477 /nfs/dbraw/zinc/44/94/77/893449477.db2.gz QNPNLEDFFDURSH-APWZRJJASA-N 1 0 391.943 3.699 20 30 GHEDRO COc1cc2[nH]c(CCC[NH2+]Cc3cc(C#N)cnc3Cl)cc2c(OC)c1 ZINC000877093465 893481650 /nfs/dbraw/zinc/48/16/50/893481650.db2.gz HYMWRBDVSMYPLY-UHFFFAOYSA-N 1 0 384.867 3.828 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1 ZINC000536667549 893485392 /nfs/dbraw/zinc/48/53/92/893485392.db2.gz HOWJQVIWKJADAP-UHFFFAOYSA-N 1 0 383.488 3.878 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCCC23CCC3)c1C#N ZINC000444777914 893501818 /nfs/dbraw/zinc/50/18/18/893501818.db2.gz UDUISZCXSSNDTN-UHFFFAOYSA-N 1 0 380.492 3.965 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC001137116999 893504894 /nfs/dbraw/zinc/50/48/94/893504894.db2.gz YDRUSNGYRDZAHR-UHFFFAOYSA-N 1 0 389.499 3.717 20 30 GHEDRO C=CC[N@@H+](C/C=C/c1ccccc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536676351 893514739 /nfs/dbraw/zinc/51/47/39/893514739.db2.gz MZWKYZZQWXPHRY-MZEUMTGBSA-N 1 0 375.476 3.933 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)cc1 ZINC001137119608 893573364 /nfs/dbraw/zinc/57/33/64/893573364.db2.gz ZHRYOKCFBIODHU-UHFFFAOYSA-N 1 0 376.460 3.601 20 30 GHEDRO C[C@@H](CCC#N)C[NH+]1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877660123 893750081 /nfs/dbraw/zinc/75/00/81/893750081.db2.gz DUUNLYSZBVIWQG-PKOBYXMFSA-N 1 0 379.545 3.664 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)C(C)C ZINC000556128106 893857025 /nfs/dbraw/zinc/85/70/25/893857025.db2.gz ZWNFJXCRWYSTNC-HQRMLTQVSA-N 1 0 376.566 3.813 20 30 GHEDRO Cc1cc(N(C)CCOCc2ccc(C#N)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000563766702 894164916 /nfs/dbraw/zinc/16/49/16/894164916.db2.gz PHTCJZATKQYBIR-UHFFFAOYSA-N 1 0 376.416 3.976 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000563815163 894219071 /nfs/dbraw/zinc/21/90/71/894219071.db2.gz QHBPHBRZYANIMT-HNNXBMFYSA-N 1 0 376.287 3.940 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 ZINC000022686426 894277435 /nfs/dbraw/zinc/27/74/35/894277435.db2.gz LQBCTWLXHFQSJI-UHFFFAOYSA-O 1 0 375.464 3.679 20 30 GHEDRO CCc1ccc(C#CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000815921706 894330050 /nfs/dbraw/zinc/33/00/50/894330050.db2.gz PNDSFUIGUJVGDT-UHFFFAOYSA-N 1 0 375.516 3.761 20 30 GHEDRO Cn1ccc(-c2nc(CN3CCC(Oc4ccc(C#N)cc4F)CC3)cs2)n1 ZINC000878609426 894438157 /nfs/dbraw/zinc/43/81/57/894438157.db2.gz AGQNSOBEXYNJSL-UHFFFAOYSA-N 1 0 397.479 3.598 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)c1ccccc1 ZINC000878636392 894473583 /nfs/dbraw/zinc/47/35/83/894473583.db2.gz HRVRDUHZRQWXTB-DQEYMECFSA-N 1 0 390.527 3.744 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000564074944 894550812 /nfs/dbraw/zinc/55/08/12/894550812.db2.gz XXTWGLHSONZJBV-CVDCTZTESA-N 1 0 390.531 3.701 20 30 GHEDRO Cc1nsc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177780 894689621 /nfs/dbraw/zinc/68/96/21/894689621.db2.gz HIOWMTDBQPSKSK-HUUCEWRRSA-N 1 0 393.875 3.683 20 30 GHEDRO Cc1nsc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177782 894689980 /nfs/dbraw/zinc/68/99/80/894689980.db2.gz HIOWMTDBQPSKSK-LSDHHAIUSA-N 1 0 393.875 3.683 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000537296761 894723865 /nfs/dbraw/zinc/72/38/65/894723865.db2.gz ZUFUSUZKXXPHOJ-MSOLQXFVSA-N 1 0 397.544 3.830 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000878936033 894736012 /nfs/dbraw/zinc/73/60/12/894736012.db2.gz BZDULBTYBYJDKJ-UHFFFAOYSA-N 1 0 388.487 3.990 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816456467 894821827 /nfs/dbraw/zinc/82/18/27/894821827.db2.gz IXWSDQHWPPUAQY-LQWHRVPQSA-N 1 0 378.472 3.779 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456466 894822556 /nfs/dbraw/zinc/82/25/56/894822556.db2.gz IXWSDQHWPPUAQY-BBTUJRGHSA-N 1 0 378.472 3.779 20 30 GHEDRO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000879697984 895239578 /nfs/dbraw/zinc/23/95/78/895239578.db2.gz MXZCMKZUBOIUBH-HNNXBMFYSA-N 1 0 377.554 3.796 20 30 GHEDRO Cc1cncc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000879750236 895272845 /nfs/dbraw/zinc/27/28/45/895272845.db2.gz OFBQMLVKQWCMCG-SFHVURJKSA-N 1 0 380.517 3.978 20 30 GHEDRO N#CCCC1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000564978148 895337570 /nfs/dbraw/zinc/33/75/70/895337570.db2.gz CGOUXWODQPIYOP-HNNXBMFYSA-N 1 0 380.275 3.641 20 30 GHEDRO C#C[C@@H](NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC001275447206 913969084 /nfs/dbraw/zinc/96/90/84/913969084.db2.gz FBFPCYNABUOFHA-JLGRQBBPSA-N 1 0 382.891 3.784 20 30 GHEDRO CCCC1(CCC)CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000880093643 895509831 /nfs/dbraw/zinc/50/98/31/895509831.db2.gz DZUFVFCZQPWLLK-KRWDZBQOSA-N 1 0 380.492 3.946 20 30 GHEDRO Cc1cc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000774910688 914007144 /nfs/dbraw/zinc/00/71/44/914007144.db2.gz AUNLZFXWGWLGGF-UHFFFAOYSA-N 1 0 387.524 3.763 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000880925671 896002519 /nfs/dbraw/zinc/00/25/19/896002519.db2.gz GVCIAHAANPTDNQ-GDBMZVCRSA-N 1 0 382.430 3.581 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000566051106 896075281 /nfs/dbraw/zinc/07/52/81/896075281.db2.gz SXTPFEBYRCCMMT-UHFFFAOYSA-N 1 0 397.567 3.786 20 30 GHEDRO N#Cc1cc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1C1CC1 ZINC000881124204 896166063 /nfs/dbraw/zinc/16/60/63/896166063.db2.gz HNPFACADLZNEBU-UHFFFAOYSA-N 1 0 375.476 3.617 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000819257227 896497974 /nfs/dbraw/zinc/49/79/74/896497974.db2.gz BIRBQGMVTRFQQO-VQIMIIECSA-N 1 0 376.287 3.767 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000129208999 896503084 /nfs/dbraw/zinc/50/30/84/896503084.db2.gz PFIQELVKYHQGHU-WOJBJXKFSA-N 1 0 397.592 3.564 20 30 GHEDRO Cc1ccc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c(C[NH+](C)C)c1 ZINC000819285167 896529017 /nfs/dbraw/zinc/52/90/17/896529017.db2.gz XZRCICHSQHSPOD-SFHVURJKSA-N 1 0 388.512 3.582 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(NC3CC[NH+](Cc4ccccn4)CC3)n2)c1 ZINC000881818916 896539703 /nfs/dbraw/zinc/53/97/03/896539703.db2.gz VRSMNLMEXAEWJI-UHFFFAOYSA-N 1 0 386.459 3.612 20 30 GHEDRO N#CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCC1 ZINC000566841272 896623006 /nfs/dbraw/zinc/62/30/06/896623006.db2.gz BQISAXXFOCMNFK-LEWJYISDSA-N 1 0 377.463 3.604 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1ccc(F)nc1 ZINC000882082292 896655024 /nfs/dbraw/zinc/65/50/24/896655024.db2.gz LMZLIXPFIBCTPG-HNNXBMFYSA-N 1 0 375.517 3.880 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC000566943838 896723770 /nfs/dbraw/zinc/72/37/70/896723770.db2.gz LCBZOYMWFWOAGL-QUCCMNQESA-N 1 0 391.581 3.755 20 30 GHEDRO COc1cccc([C@H](CNC(=O)/C=C/c2ccccc2C#N)[NH+]2CCCC2)c1 ZINC000041816308 896791442 /nfs/dbraw/zinc/79/14/42/896791442.db2.gz PEZGIBQCSZTZAC-LEQVUBRHSA-N 1 0 375.472 3.533 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC001137179040 896864593 /nfs/dbraw/zinc/86/45/93/896864593.db2.gz IAQSBPZRHZFWJJ-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccs1 ZINC000289271003 914120685 /nfs/dbraw/zinc/12/06/85/914120685.db2.gz FCQOMOSWCLYKIW-QGZVFWFLSA-N 1 0 377.897 3.561 20 30 GHEDRO N#CCOc1cccc(CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000130592923 897148027 /nfs/dbraw/zinc/14/80/27/897148027.db2.gz RDICRWOALZNTHS-UHFFFAOYSA-N 1 0 393.487 3.635 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000130632958 897164937 /nfs/dbraw/zinc/16/49/37/897164937.db2.gz GFCFUCBGVUJKNR-XJKSGUPXSA-N 1 0 378.266 3.656 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000131169513 897347631 /nfs/dbraw/zinc/34/76/31/897347631.db2.gz SFFTWXUAWGQJMR-UHFFFAOYSA-N 1 0 375.451 3.929 20 30 GHEDRO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000568518409 897904935 /nfs/dbraw/zinc/90/49/35/897904935.db2.gz BYAAKFILSGHLCK-LAUBAEHRSA-N 1 0 378.476 3.951 20 30 GHEDRO N#CCCn1cc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)c(-c2ccncc2)n1 ZINC000289489971 914209998 /nfs/dbraw/zinc/20/99/98/914209998.db2.gz RMFLMSJZZLFMIM-UHFFFAOYSA-N 1 0 387.487 3.977 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[NH+](C)C)cc1 ZINC000568852680 898166963 /nfs/dbraw/zinc/16/69/63/898166963.db2.gz YBNABUFGZBIKBP-LJQANCHMSA-N 1 0 383.452 3.551 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(OCC)cc3)n2)CC1 ZINC000106036790 898246668 /nfs/dbraw/zinc/24/66/68/898246668.db2.gz QGNPXXGXHZMJGY-UHFFFAOYSA-N 1 0 399.560 3.908 20 30 GHEDRO Cc1ccnc(NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)c1C#N ZINC001185970108 914235146 /nfs/dbraw/zinc/23/51/46/914235146.db2.gz SZQPALRLSQXQGE-KDURUIRLSA-N 1 0 378.520 3.883 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCOC1 ZINC000107695351 898351591 /nfs/dbraw/zinc/35/15/91/898351591.db2.gz SNAJASZNKRQZCZ-HNNXBMFYSA-N 1 0 375.538 3.576 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 ZINC000108815620 898405750 /nfs/dbraw/zinc/40/57/50/898405750.db2.gz CCXCTEVCBHBXTC-UHFFFAOYSA-N 1 0 382.508 3.804 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+](C2CC2)C1 ZINC000569316766 898538648 /nfs/dbraw/zinc/53/86/48/898538648.db2.gz JPNDGOXNMBNWJL-SFHVURJKSA-N 1 0 389.499 3.694 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000569475490 898697250 /nfs/dbraw/zinc/69/72/50/898697250.db2.gz IIPXWPUZZSCUGY-FUHWJXTLSA-N 1 0 395.311 3.784 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000569703022 898896081 /nfs/dbraw/zinc/89/60/81/898896081.db2.gz QIUCHHDBMGVBMI-VQIMIIECSA-N 1 0 387.959 3.875 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000569703016 898896278 /nfs/dbraw/zinc/89/62/78/898896278.db2.gz QIUCHHDBMGVBMI-APWZRJJASA-N 1 0 387.959 3.875 20 30 GHEDRO CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Cl)c(Cl)c1 ZINC000884114831 898934823 /nfs/dbraw/zinc/93/48/23/898934823.db2.gz BFDJTFJCPWCUIJ-MMSRSVNZSA-N 1 0 380.319 3.527 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1C ZINC000331544442 898970550 /nfs/dbraw/zinc/97/05/50/898970550.db2.gz GYTWBLWWMLNYPL-BPCBYJRWSA-N 1 0 397.563 3.812 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](C)C1 ZINC000289697160 914302084 /nfs/dbraw/zinc/30/20/84/914302084.db2.gz GHHGRYDCVJEHQX-IIBYNOLFSA-N 1 0 393.491 3.940 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000113334465 898986884 /nfs/dbraw/zinc/98/68/84/898986884.db2.gz SLKNDDVQPFNGKR-UHFFFAOYSA-N 1 0 376.500 3.792 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000823413963 899022853 /nfs/dbraw/zinc/02/28/53/899022853.db2.gz PTLOTHOVSCMQPC-WZONZLPQSA-N 1 0 397.519 3.658 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1O ZINC000303113952 914309572 /nfs/dbraw/zinc/30/95/72/914309572.db2.gz KVODYBZHGBFPBI-UHFFFAOYSA-N 1 0 395.478 3.852 20 30 GHEDRO C[C@H](Oc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1 ZINC000884144798 899074113 /nfs/dbraw/zinc/07/41/13/899074113.db2.gz UFQHOJJUOSNNIP-DGLPSNNLSA-N 1 0 375.472 3.904 20 30 GHEDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570077288 899107525 /nfs/dbraw/zinc/10/75/25/899107525.db2.gz ZYKBFZSWYBNOFF-RBUKOAKNSA-N 1 0 379.504 3.581 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000823617833 899136747 /nfs/dbraw/zinc/13/67/47/899136747.db2.gz NNKCTFNBVPVHLA-OXJNMPFZSA-N 1 0 387.524 3.559 20 30 GHEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000570253228 899222227 /nfs/dbraw/zinc/22/22/27/899222227.db2.gz AYEQVCHLAFOPOF-INIZCTEOSA-N 1 0 390.959 3.663 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000570296220 899248731 /nfs/dbraw/zinc/24/87/31/899248731.db2.gz LJAMZPHBOWWXDK-WTIAFYNJSA-N 1 0 397.563 3.812 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000823801626 899267689 /nfs/dbraw/zinc/26/76/89/899267689.db2.gz LDJCDOCIPZGXGG-NHCUHLMSSA-N 1 0 398.551 3.705 20 30 GHEDRO N#CC1(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CCSCC1 ZINC000824158515 899432842 /nfs/dbraw/zinc/43/28/42/899432842.db2.gz REETUXKWJHXVDU-UHFFFAOYSA-N 1 0 397.588 3.928 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000570632999 899456698 /nfs/dbraw/zinc/45/66/98/899456698.db2.gz SJGSOWHAXJMRMH-LJQANCHMSA-N 1 0 377.492 3.801 20 30 GHEDRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000824338935 899538921 /nfs/dbraw/zinc/53/89/21/899538921.db2.gz JKLSTVPDWDJLEO-GOSISDBHSA-N 1 0 386.540 3.736 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000570997955 899706038 /nfs/dbraw/zinc/70/60/38/899706038.db2.gz INGFAJNQZXKZCF-AVRDEDQJSA-N 1 0 397.519 3.523 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000571004222 899711593 /nfs/dbraw/zinc/71/15/93/899711593.db2.gz GWZUDINWDPLQGF-UHFFFAOYSA-N 1 0 379.504 3.689 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Sc3ccccc3)cc1)C2 ZINC000884318531 899780163 /nfs/dbraw/zinc/78/01/63/899780163.db2.gz YVWVHMLRDQIJJG-DKTYTTGXSA-N 1 0 377.513 3.593 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136933506 899803119 /nfs/dbraw/zinc/80/31/19/899803119.db2.gz PVXFLQWPKKTAQW-NRFANRHFSA-N 1 0 394.462 3.941 20 30 GHEDRO C[C@@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000571441645 899870421 /nfs/dbraw/zinc/87/04/21/899870421.db2.gz YHOMUWQYYAPZAP-MSOLQXFVSA-N 1 0 391.490 3.850 20 30 GHEDRO C[C@@]1(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1(Cl)Cl ZINC000824970600 899919642 /nfs/dbraw/zinc/91/96/42/899919642.db2.gz MBHUWXOJGNEXQJ-QGZVFWFLSA-N 1 0 378.307 3.922 20 30 GHEDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000333082785 899945883 /nfs/dbraw/zinc/94/58/83/899945883.db2.gz XMNZEFBEBKSHAV-QMTMVMCOSA-N 1 0 389.565 3.866 20 30 GHEDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000571798381 899974968 /nfs/dbraw/zinc/97/49/68/899974968.db2.gz WYLJWAHMDLDPGS-OALUTQOASA-N 1 0 393.531 3.835 20 30 GHEDRO C=CCC1(O)CCN(Cn2nc([C@H](CC)[NH+](C)C)n(CCCC)c2=S)CC1 ZINC000884478896 900122591 /nfs/dbraw/zinc/12/25/91/900122591.db2.gz PFWOXZXIZDENAA-KRWDZBQOSA-N 1 0 395.617 3.587 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135311856 900221158 /nfs/dbraw/zinc/22/11/58/900221158.db2.gz RVHRXLQFXQUKOY-HUUCEWRRSA-N 1 0 376.476 3.606 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000572684735 900247485 /nfs/dbraw/zinc/24/74/85/900247485.db2.gz POVUEINLTQGDRU-UHFFFAOYSA-N 1 0 391.494 3.983 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)s1 ZINC000843990639 900395534 /nfs/dbraw/zinc/39/55/34/900395534.db2.gz WAXXQBALCXHWLL-CQSZACIVSA-N 1 0 388.002 3.781 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000045757337 900398843 /nfs/dbraw/zinc/39/88/43/900398843.db2.gz FIZPAZXHNQBZLR-SFHVURJKSA-N 1 0 376.504 3.892 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[NH+](C)C)cc1 ZINC000573479167 900527806 /nfs/dbraw/zinc/52/78/06/900527806.db2.gz WPUKXFNPJZRDGM-HXUWFJFHSA-N 1 0 379.529 3.996 20 30 GHEDRO Cc1nsc(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000573542273 900547948 /nfs/dbraw/zinc/54/79/48/900547948.db2.gz YAINYYVWNFVMAS-YOEHRIQHSA-N 1 0 383.521 3.745 20 30 GHEDRO CC1CC[NH+](CCOc2cccc(-c3ccc(C(=O)NCC#N)cc3)c2)CC1 ZINC000844228632 900624827 /nfs/dbraw/zinc/62/48/27/900624827.db2.gz IZURDXAKBASHDB-UHFFFAOYSA-N 1 0 377.488 3.718 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000844317739 900725254 /nfs/dbraw/zinc/72/52/54/900725254.db2.gz JRSYJWPMRICYBK-RHSMWYFYSA-N 1 0 388.468 3.592 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844372896 900740457 /nfs/dbraw/zinc/74/04/57/900740457.db2.gz AQKAIAFWPUBDQB-OAQYLSRUSA-N 1 0 383.879 3.524 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000574033680 900752467 /nfs/dbraw/zinc/75/24/67/900752467.db2.gz QNYVNMRCSZFSCV-KRWDZBQOSA-N 1 0 380.540 3.535 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@@H](O)CC1(C#N)CCC1)CC2 ZINC000886168748 900855873 /nfs/dbraw/zinc/85/58/73/900855873.db2.gz YDQHGQPQLIZSMJ-SFHVURJKSA-N 1 0 391.556 3.544 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(COCc3ccc(OC)cc3)c2)CC1 ZINC000066942065 901026555 /nfs/dbraw/zinc/02/65/55/901026555.db2.gz BMYVCRZXOCDZPN-UHFFFAOYSA-N 1 0 392.499 3.696 20 30 GHEDRO Cc1c(O)cccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001144117393 901084993 /nfs/dbraw/zinc/08/49/93/901084993.db2.gz XBCCMOCPYFEJKN-XMMPIXPASA-N 1 0 391.515 3.691 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[C@@H](n3cc(Cl)cn3)C2)c2ccccc21 ZINC000290073726 914509057 /nfs/dbraw/zinc/50/90/57/914509057.db2.gz YMRCKELWPJBTRH-MRXNPFEDSA-N 1 0 381.867 3.535 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886931371 901332087 /nfs/dbraw/zinc/33/20/87/901332087.db2.gz NDUOSEYBQROZPT-OAHLLOKOSA-N 1 0 386.402 3.717 20 30 GHEDRO COCCOC[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000093755334 901565653 /nfs/dbraw/zinc/56/56/53/901565653.db2.gz CPCNQXYHKDHQPT-JOCHJYFZSA-N 1 0 380.488 3.622 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 ZINC000845001795 901629797 /nfs/dbraw/zinc/62/97/97/901629797.db2.gz DSHYQZVQMITJKR-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO Cn1c(Cl)c(Cl)cc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845006956 901638473 /nfs/dbraw/zinc/63/84/73/901638473.db2.gz OPFLIBZYIQJIIW-UHFFFAOYSA-N 1 0 391.302 3.598 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](CCCc3ccc(Br)cc3)C2)C1=O ZINC001275528360 914559097 /nfs/dbraw/zinc/55/90/97/914559097.db2.gz SCRZXMGYTSXKBQ-HXUWFJFHSA-N 1 0 391.353 3.882 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(Br)c1 ZINC000047287145 901746803 /nfs/dbraw/zinc/74/68/03/901746803.db2.gz WFVONQSZECOMPN-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO Cc1cc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000290188637 914565235 /nfs/dbraw/zinc/56/52/35/914565235.db2.gz QEUGZGUFJJWHCZ-HXUWFJFHSA-N 1 0 394.523 3.529 20 30 GHEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc4ccccc4nc3NC(=O)CC#N)c2c1 ZINC001171164013 901835797 /nfs/dbraw/zinc/83/57/97/901835797.db2.gz FRQMOTOFNVDMPE-OAHLLOKOSA-N 1 0 398.470 3.624 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000123018971 901885092 /nfs/dbraw/zinc/88/50/92/901885092.db2.gz RQUPFTIDUACQSN-UTKZUKDTSA-N 1 0 377.488 3.692 20 30 GHEDRO N=C(Nc1nc(Cl)nc2c1C[N@@H+](C1CC1)CC2)c1ccc2cc(O)ccc2c1 ZINC001171177189 902076975 /nfs/dbraw/zinc/07/69/75/902076975.db2.gz IQHTVLHSIPAYPC-UHFFFAOYSA-N 1 0 393.878 3.546 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001171190358 902253118 /nfs/dbraw/zinc/25/31/18/902253118.db2.gz SNYFTOOOEHUCDV-DHJUGAMNSA-N 1 0 399.535 3.637 20 30 GHEDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)c(Br)c1 ZINC001171195339 902285109 /nfs/dbraw/zinc/28/51/09/902285109.db2.gz RPGWQSQDSVIMGU-ZDUSSCGKSA-N 1 0 387.277 3.828 20 30 GHEDRO N#Cc1cc(F)c(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(F)c1 ZINC000126942092 902394401 /nfs/dbraw/zinc/39/44/01/902394401.db2.gz WTQUEXIZGXYSNS-UHFFFAOYSA-N 1 0 396.441 3.621 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4csc(C)n4)CO3)CC2)cc1 ZINC001144573434 902405606 /nfs/dbraw/zinc/40/56/06/902405606.db2.gz JPADQAFTKULUAE-OAQYLSRUSA-N 1 0 382.529 3.773 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C#N)cn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000577056284 902471688 /nfs/dbraw/zinc/47/16/88/902471688.db2.gz OSYDPPXCRFQRIZ-JOCHJYFZSA-N 1 0 388.515 3.716 20 30 GHEDRO N#CCOc1cccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000263755154 902479056 /nfs/dbraw/zinc/47/90/56/902479056.db2.gz XDTLGOMRBZJDJE-UHFFFAOYSA-N 1 0 392.503 3.761 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000577106662 902504892 /nfs/dbraw/zinc/50/48/92/902504892.db2.gz QLUKTQDKSQTJSN-XLIONFOSSA-N 1 0 392.551 3.789 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000263822952 902575711 /nfs/dbraw/zinc/57/57/11/902575711.db2.gz VJWJHVHAJQUVOZ-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)cc1 ZINC000846001248 902582787 /nfs/dbraw/zinc/58/27/87/902582787.db2.gz ZTHPXSGAAGPROS-BDTNDASRSA-N 1 0 398.547 3.952 20 30 GHEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005291 902585537 /nfs/dbraw/zinc/58/55/37/902585537.db2.gz BLYNOQHOEKRIMY-JOCHJYFZSA-N 1 0 385.471 3.501 20 30 GHEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000846005292 902585775 /nfs/dbraw/zinc/58/57/75/902585775.db2.gz BLYNOQHOEKRIMY-QFIPXVFZSA-N 1 0 385.471 3.501 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001171212201 902695230 /nfs/dbraw/zinc/69/52/30/902695230.db2.gz JYKYSHONLWEUJZ-WDJPJFJCSA-N 1 0 391.515 3.725 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CC#N)c2ccccc2)C1 ZINC000577343102 902701624 /nfs/dbraw/zinc/70/16/24/902701624.db2.gz AZHWVIKEOCXGEJ-UHFFFAOYSA-N 1 0 386.499 3.965 20 30 GHEDRO O=C(/C=C/C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001144709003 902715009 /nfs/dbraw/zinc/71/50/09/902715009.db2.gz UCMQWIVBFJLOTI-WANHOSFCSA-N 1 0 388.511 3.796 20 30 GHEDRO N#CC1CCC(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000577375825 902722393 /nfs/dbraw/zinc/72/23/93/902722393.db2.gz MTVJQALUVFQCDE-UHFFFAOYSA-N 1 0 399.232 3.619 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001171215625 902749878 /nfs/dbraw/zinc/74/98/78/902749878.db2.gz BYZJFBFULGDNQN-HXOBKFHXSA-N 1 0 377.463 3.757 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(Sc3ccccc3)cc2)CCOCC1 ZINC000600729195 902851680 /nfs/dbraw/zinc/85/16/80/902851680.db2.gz SJZQLSPETNCJNO-IBGZPJMESA-N 1 0 382.529 3.999 20 30 GHEDRO CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600735622 902857608 /nfs/dbraw/zinc/85/76/08/902857608.db2.gz OMVDLXMWCHTEKT-LJQANCHMSA-N 1 0 382.504 3.788 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccc(NC(=O)C3CCCC3)c2)cc1OC ZINC000264129211 902862555 /nfs/dbraw/zinc/86/25/55/902862555.db2.gz XJTCEWLEZISRBF-UHFFFAOYSA-N 1 0 396.491 3.759 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000129944434 902875190 /nfs/dbraw/zinc/87/51/90/902875190.db2.gz FOUVENNVRIKAGN-ICSRJNTNSA-N 1 0 382.508 3.558 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000130402377 902955506 /nfs/dbraw/zinc/95/55/06/902955506.db2.gz IZEAMTNYQUXJPC-IBGZPJMESA-N 1 0 383.536 3.635 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000159395874 903124538 /nfs/dbraw/zinc/12/45/38/903124538.db2.gz XAOHGVJZTOHGCJ-INIZCTEOSA-N 1 0 385.414 3.718 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000264502923 903149883 /nfs/dbraw/zinc/14/98/83/903149883.db2.gz VZZDUUXLIFLWRB-KRWDZBQOSA-N 1 0 386.565 3.580 20 30 GHEDRO C[C@H](NCc1cn(C[C@@H]2CCOC2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000601114302 903348791 /nfs/dbraw/zinc/34/87/91/903348791.db2.gz WUHUEGBPGRUJLR-HKUYNNGSSA-N 1 0 387.487 3.704 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3scnc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171274120 903464014 /nfs/dbraw/zinc/46/40/14/903464014.db2.gz PRNPMNHNQRUZEF-UHFFFAOYSA-N 1 0 384.896 3.710 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779050663 903541826 /nfs/dbraw/zinc/54/18/26/903541826.db2.gz WRWFBDDINGGHPF-QUCCMNQESA-N 1 0 377.488 3.731 20 30 GHEDRO C#CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC001146478525 903550802 /nfs/dbraw/zinc/55/08/02/903550802.db2.gz UBZBNHHKGZNSRT-IBGZPJMESA-N 1 0 376.500 3.980 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(CCC#N)c1C)c1ccccc1Cl ZINC000887706458 903551650 /nfs/dbraw/zinc/55/16/50/903551650.db2.gz BGSQWDBNZHBUAU-LJQANCHMSA-N 1 0 387.915 3.572 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000578146181 903557784 /nfs/dbraw/zinc/55/77/84/903557784.db2.gz GCUOARNHOZMJRV-UHFFFAOYSA-N 1 0 383.540 3.687 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578207838 903612568 /nfs/dbraw/zinc/61/25/68/903612568.db2.gz JGLWYEYBIJXLPG-UHFFFAOYSA-N 1 0 383.540 3.696 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001147286065 903755412 /nfs/dbraw/zinc/75/54/12/903755412.db2.gz CXRVAXXUJDDUHS-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)NCc2cccc(C[NH+](C)C)c2)c(F)c1F ZINC001186730914 914751211 /nfs/dbraw/zinc/75/12/11/914751211.db2.gz IMEJJJICMLAHGO-UHFFFAOYSA-N 1 0 380.385 3.963 20 30 GHEDRO C[C@@H]1C[NH+](C[C@@H](O)CNc2ccc(Sc3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000578437215 903844732 /nfs/dbraw/zinc/84/47/32/903844732.db2.gz WFIMLVBFHPUVOL-HLIPFELVSA-N 1 0 397.544 3.591 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)NCCc2c[nH]c3cc[nH+]cc23)c(F)c1F ZINC001186737581 914755308 /nfs/dbraw/zinc/75/53/08/914755308.db2.gz MVOUDHBZKBOYFN-UHFFFAOYSA-N 1 0 377.341 3.820 20 30 GHEDRO O=C(NCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1N=CC=CC1=O ZINC000772985041 903976377 /nfs/dbraw/zinc/97/63/77/903976377.db2.gz QAMSHHJIAGPOBW-XJUMHSELSA-N 1 0 395.890 3.740 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000772987526 904003534 /nfs/dbraw/zinc/00/35/34/904003534.db2.gz JMGWYGTXMPAAIG-OAHLLOKOSA-N 1 0 386.879 3.868 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(-c2ccccc2)n1 ZINC000151419661 904128224 /nfs/dbraw/zinc/12/82/24/904128224.db2.gz FQOHZSUSCDYYTQ-CTNGQTDRSA-N 1 0 382.533 3.608 20 30 GHEDRO C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)c1 ZINC001148614082 904139633 /nfs/dbraw/zinc/13/96/33/904139633.db2.gz NVQDRWUDWJCDOY-LZQZEXGQSA-N 1 0 380.517 3.507 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000578922397 904227950 /nfs/dbraw/zinc/22/79/50/904227950.db2.gz SWBJLZPPLDRWKS-PZJWPPBQSA-N 1 0 382.895 3.575 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171356228 904346646 /nfs/dbraw/zinc/34/66/46/904346646.db2.gz YDYGTVSZXWZPMM-LJQANCHMSA-N 1 0 395.453 3.588 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000579134338 904369890 /nfs/dbraw/zinc/36/98/90/904369890.db2.gz KDLZZGOYFIPXJW-IBGZPJMESA-N 1 0 387.936 3.864 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000773025251 904385349 /nfs/dbraw/zinc/38/53/49/904385349.db2.gz SSMZOEHJIILXOT-CZTZKLFOSA-N 1 0 396.535 3.526 20 30 GHEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000773030115 904388604 /nfs/dbraw/zinc/38/86/04/904388604.db2.gz KOAMXQGFMDVGPS-QZTJIDSGSA-N 1 0 391.446 3.784 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4CCc5c(F)cccc5C4)C3)CC2=O)c1 ZINC001171433311 904617900 /nfs/dbraw/zinc/61/79/00/904617900.db2.gz LKMPTNLSJHBZSO-NTKDMRAZSA-N 1 0 389.474 3.684 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)C1=O ZINC001171593161 904819404 /nfs/dbraw/zinc/81/94/04/904819404.db2.gz KCQYTVHUMKCIEX-OKZBNKHCSA-N 1 0 393.572 3.567 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC000826662730 904847038 /nfs/dbraw/zinc/84/70/38/904847038.db2.gz NQDNVHIMQDAHMW-FQEVSTJZSA-N 1 0 399.535 3.635 20 30 GHEDRO C=CCCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000889934269 904848649 /nfs/dbraw/zinc/84/86/49/904848649.db2.gz OZNZADYKAXDMTB-AKIFATBCSA-N 1 0 398.595 3.751 20 30 GHEDRO C=CC[C@@]1(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000189094108 905028825 /nfs/dbraw/zinc/02/88/25/905028825.db2.gz FJNRMNJMEMKCSG-QFIPXVFZSA-N 1 0 393.572 3.711 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000173820373 905135225 /nfs/dbraw/zinc/13/52/25/905135225.db2.gz LWAJUSLBSKDISV-KRWDZBQOSA-N 1 0 383.517 3.584 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172056015 905256217 /nfs/dbraw/zinc/25/62/17/905256217.db2.gz BDABGPNPXROSSZ-SFHVURJKSA-N 1 0 393.572 3.761 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1csc(CC)n1 ZINC000626809280 905284812 /nfs/dbraw/zinc/28/48/12/905284812.db2.gz VVXWZJIMJWCAGW-UHFFFAOYSA-N 1 0 377.583 3.804 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000174775604 905344065 /nfs/dbraw/zinc/34/40/65/905344065.db2.gz ZHVQXCSMOMTIRY-UHFFFAOYSA-N 1 0 384.524 3.596 20 30 GHEDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CCCC(C)(C)C#N)CC3)cc2NC1=O ZINC000174843093 905367913 /nfs/dbraw/zinc/36/79/13/905367913.db2.gz GVYUGDLEILREDI-HNNXBMFYSA-N 1 0 383.492 3.631 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC001172300542 905453275 /nfs/dbraw/zinc/45/32/75/905453275.db2.gz XTINDHQFRGJFKI-SSKFGXFMSA-N 1 0 379.479 3.959 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001172303345 905457093 /nfs/dbraw/zinc/45/70/93/905457093.db2.gz CDZVVBKWJXOIBP-WNOPAQSVSA-N 1 0 391.515 3.834 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001172303355 905457483 /nfs/dbraw/zinc/45/74/83/905457483.db2.gz CHHDTHJQZLCUHR-IBGZPJMESA-N 1 0 375.520 3.662 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000627167639 905463004 /nfs/dbraw/zinc/46/30/04/905463004.db2.gz IXBFIVAEDIXPBZ-FCHUYYIVSA-N 1 0 380.536 3.714 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172306829 905463391 /nfs/dbraw/zinc/46/33/91/905463391.db2.gz BDHSFGMGKLDCPU-LJQANCHMSA-N 1 0 381.520 3.990 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC001172308084 905465100 /nfs/dbraw/zinc/46/51/00/905465100.db2.gz LEWRZBOTRFSROR-AUSIDOKSSA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190107919 905542808 /nfs/dbraw/zinc/54/28/08/905542808.db2.gz PCGVUFKCPGPWED-NVXWUHKLSA-N 1 0 378.438 3.826 20 30 GHEDRO CC(C)COCC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001172468851 905550517 /nfs/dbraw/zinc/55/05/17/905550517.db2.gz ODWXKJVWMDBRQL-XUZZJYLKSA-N 1 0 399.579 3.928 20 30 GHEDRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172496174 905598695 /nfs/dbraw/zinc/59/86/95/905598695.db2.gz KMARXGCBFDVFJZ-PZJWPPBQSA-N 1 0 383.536 3.566 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3cccs3)o2)cc1 ZINC000175815583 905673269 /nfs/dbraw/zinc/67/32/69/905673269.db2.gz BIEWMODSZKSRLT-IAGOWNOFSA-N 1 0 380.473 3.758 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C(=O)C3)C2)cc1 ZINC001172689410 905740467 /nfs/dbraw/zinc/74/04/67/905740467.db2.gz VRVVTQJRJMFOOF-FYYLOGMGSA-N 1 0 389.499 3.593 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000176547436 905871213 /nfs/dbraw/zinc/87/12/13/905871213.db2.gz WWSCANBAQVSUBR-UHFFFAOYSA-N 1 0 399.520 3.700 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)cc2)CC1 ZINC000777313616 905973867 /nfs/dbraw/zinc/97/38/67/905973867.db2.gz QDAGZCJPKBWWHB-IBGZPJMESA-N 1 0 395.478 3.507 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)cc1OC ZINC000628144196 905985022 /nfs/dbraw/zinc/98/50/22/905985022.db2.gz SPYDMZFMQJPTKL-HNNXBMFYSA-N 1 0 377.872 3.984 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)nc(Cl)c2)C[C@H]1C#N ZINC001172969429 906031854 /nfs/dbraw/zinc/03/18/54/906031854.db2.gz VKQRPEYZLYZINY-STQMWFEESA-N 1 0 385.295 3.770 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCOc3cc(F)ccc32)C[C@H]1C#N ZINC001172973296 906036397 /nfs/dbraw/zinc/03/63/97/906036397.db2.gz BWSAGHMWWRFZAU-ZOBUZTSGSA-N 1 0 375.444 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CC[N@H+](CC3CCCCC3)C2)C[C@H]1C#N ZINC001172973393 906037610 /nfs/dbraw/zinc/03/76/10/906037610.db2.gz GPOIAPUSJHVYEF-AABGKKOBSA-N 1 0 390.572 3.522 20 30 GHEDRO COc1cccc(C2([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CCC2)c1 ZINC001172974472 906039074 /nfs/dbraw/zinc/03/90/74/906039074.db2.gz PVUJVRKCVVNHIV-MSOLQXFVSA-N 1 0 385.508 3.956 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C[C@H]1C#N ZINC001172977719 906044709 /nfs/dbraw/zinc/04/47/09/906044709.db2.gz DYIAEORKYAMPJS-GDZNZVCISA-N 1 0 377.435 3.833 20 30 GHEDRO Cc1ccc2cccc(C[NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c2n1 ZINC001172978903 906046100 /nfs/dbraw/zinc/04/61/00/906046100.db2.gz OFILVOJEJPHTLZ-MOPGFXCFSA-N 1 0 380.492 3.925 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)C[C@H]1C#N ZINC001172982041 906049672 /nfs/dbraw/zinc/04/96/72/906049672.db2.gz RKUAQADOYLTCOL-ROUUACIJSA-N 1 0 394.475 3.542 20 30 GHEDRO COc1cccc2c(C[NH3+])cn([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c21 ZINC001172982176 906049764 /nfs/dbraw/zinc/04/97/64/906049764.db2.gz VDPSAAUGRNYCMH-CVEARBPZSA-N 1 0 384.480 3.573 20 30 GHEDRO CCCCCCCCN(CC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172983843 906050394 /nfs/dbraw/zinc/05/03/94/906050394.db2.gz KDJOTPVBWBILCZ-OALUTQOASA-N 1 0 380.577 3.899 20 30 GHEDRO CN1CCC([N@H+](C2CCCC2)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172993593 906103399 /nfs/dbraw/zinc/10/33/99/906103399.db2.gz ORPHYEKLHBSACD-UXHICEINSA-N 1 0 390.572 3.617 20 30 GHEDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190626898 906184846 /nfs/dbraw/zinc/18/48/46/906184846.db2.gz YZBZWFWYLHRUBC-BEFAXECRSA-N 1 0 399.441 3.920 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000190631758 906184880 /nfs/dbraw/zinc/18/48/80/906184880.db2.gz INYMFAGTQNRBTA-IFXJQAMLSA-N 1 0 398.304 3.772 20 30 GHEDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCSCc1ccccc1C#N ZINC000177820993 906222300 /nfs/dbraw/zinc/22/23/00/906222300.db2.gz FBNPVLJGHVALNH-CQSZACIVSA-N 1 0 388.924 3.847 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)c1F ZINC001173182179 906263822 /nfs/dbraw/zinc/26/38/22/906263822.db2.gz ISJCJPXIAGYRBD-CYBMUJFWSA-N 1 0 396.422 3.874 20 30 GHEDRO CCCCCCCC[C@@H](CCC)[N@@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001173310852 906363933 /nfs/dbraw/zinc/36/39/33/906363933.db2.gz ZFSJEFFDSMQPOG-FGZHOGPDSA-N 1 0 382.589 3.855 20 30 GHEDRO C=CCOC1CCC([N@H+]2CCc3nc(C(=O)N(CC)CC)sc3CC2)CC1 ZINC001173322306 906372506 /nfs/dbraw/zinc/37/25/06/906372506.db2.gz BVSRPDSLZAJHSI-UHFFFAOYSA-N 1 0 391.581 3.540 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH2+]C3CCC(CC#N)CC3)CO2)CC1 ZINC001173325019 906373403 /nfs/dbraw/zinc/37/34/03/906373403.db2.gz BQUYACIJCOWYNC-DAWZGUTISA-N 1 0 377.529 3.607 20 30 GHEDRO C=CCOC1CCC([NH2+]C2CCN(Cc3ccc(C(=O)OC)cc3)CC2)CC1 ZINC001173316767 906388871 /nfs/dbraw/zinc/38/88/71/906388871.db2.gz MQYBEGBLQHSYJR-UHFFFAOYSA-N 1 0 386.536 3.541 20 30 GHEDRO C=CCOC1CCC([N@H+]2CCO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173320326 906391656 /nfs/dbraw/zinc/39/16/56/906391656.db2.gz GLNMDXDRIKLLBO-AJTFCVKESA-N 1 0 394.556 3.602 20 30 GHEDRO N#CCC1CC[NH+](C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001173395542 906422971 /nfs/dbraw/zinc/42/29/71/906422971.db2.gz WMIMSFBKVBPAMJ-UHFFFAOYSA-N 1 0 390.325 3.679 20 30 GHEDRO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[C@@H](c2ccccc2)CO1 ZINC001173436117 906451529 /nfs/dbraw/zinc/45/15/29/906451529.db2.gz RDRAQZQUKULIJU-FDDCHVKYSA-N 1 0 389.499 3.625 20 30 GHEDRO COc1cccc(F)c1[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424742 906460378 /nfs/dbraw/zinc/46/03/78/906460378.db2.gz JLRCJIISOVGRMV-HNNXBMFYSA-N 1 0 381.451 3.661 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](CCO)c3cccc(Cl)c3)CC2)cc1 ZINC001173425868 906461244 /nfs/dbraw/zinc/46/12/44/906461244.db2.gz FYMYKDNEYKTKLO-OAQYLSRUSA-N 1 0 397.906 3.530 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC001173425550 906461818 /nfs/dbraw/zinc/46/18/18/906461818.db2.gz XKLNCGZJPSHGSH-JOCHJYFZSA-N 1 0 377.488 3.912 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3OC(F)F)CC2)cc1 ZINC001173425973 906461973 /nfs/dbraw/zinc/46/19/73/906461973.db2.gz LQSDYKJNDADMSL-UHFFFAOYSA-N 1 0 385.414 3.554 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCOc4ccc(Cl)cc43)CC2)cc1 ZINC001173429580 906466504 /nfs/dbraw/zinc/46/65/04/906466504.db2.gz ZXWIAJAEIAOOPP-FQEVSTJZSA-N 1 0 395.890 3.930 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC001173432746 906468685 /nfs/dbraw/zinc/46/86/85/906468685.db2.gz HUPPNQKDMOVQCB-FQEVSTJZSA-N 1 0 377.463 3.791 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)cc1 ZINC001173433951 906470026 /nfs/dbraw/zinc/47/00/26/906470026.db2.gz BIUDMAAABQZKLV-NRFANRHFSA-N 1 0 389.499 3.661 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433913 906470179 /nfs/dbraw/zinc/47/01/79/906470179.db2.gz AWBYALCSLUDYJE-GOSISDBHSA-N 1 0 391.515 3.734 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H](C)CCCCC(=O)OC)CC2 ZINC001173447651 906487922 /nfs/dbraw/zinc/48/79/22/906487922.db2.gz RHOARIZZGQKSIF-GOSISDBHSA-N 1 0 380.529 3.609 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001173733688 906673532 /nfs/dbraw/zinc/67/35/32/906673532.db2.gz DXEYOOORHBAYDZ-VGOFRKELSA-N 1 0 378.472 3.819 20 30 GHEDRO [NH3+]C[C@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629656451 906933150 /nfs/dbraw/zinc/93/31/50/906933150.db2.gz OTCHMFNOIQENQL-RYUDHWBXSA-N 1 0 388.327 3.726 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)CC1 ZINC000181482422 907010273 /nfs/dbraw/zinc/01/02/73/907010273.db2.gz WSENCKSIZWRSFE-UHFFFAOYSA-N 1 0 384.524 3.538 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181677188 907055277 /nfs/dbraw/zinc/05/52/77/907055277.db2.gz NEWMACCUIYBXRW-LJQANCHMSA-N 1 0 393.531 3.899 20 30 GHEDRO CC(C)CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCC1 ZINC000299354077 921300565 /nfs/dbraw/zinc/30/05/65/921300565.db2.gz CAOQHKKDCZJBIN-SFHVURJKSA-N 1 0 380.492 3.802 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(C#N)c(F)cc3Br)cc2)CC1 ZINC001174814674 907212001 /nfs/dbraw/zinc/21/20/01/907212001.db2.gz RCVQPIOQZBCYEK-UHFFFAOYSA-N 1 0 389.272 3.955 20 30 GHEDRO Cc1cc(N2CCOCC2)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182615256 907239789 /nfs/dbraw/zinc/23/97/89/907239789.db2.gz JHSVMXDUKUIMQK-UHFFFAOYSA-N 1 0 390.531 3.780 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192107920 907422190 /nfs/dbraw/zinc/42/21/90/907422190.db2.gz XUIYTGBTPVVZHI-AZUAARDMSA-N 1 0 387.842 3.799 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC3(CCCCO3)CC2)c1 ZINC001175660440 907678393 /nfs/dbraw/zinc/67/83/93/907678393.db2.gz FETBDHUQGSSLOX-FQEVSTJZSA-N 1 0 383.536 3.974 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2C#N)cc1 ZINC001175811929 907769157 /nfs/dbraw/zinc/76/91/57/907769157.db2.gz HKRRIPRBJOWVAE-UHFFFAOYSA-N 1 0 377.275 3.900 20 30 GHEDRO C#CC[N@@H+](CCCc1scnc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129588 907951593 /nfs/dbraw/zinc/95/15/93/907951593.db2.gz FMDXBDBDDORTJW-UHFFFAOYSA-N 1 0 377.554 3.719 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000192913423 908007273 /nfs/dbraw/zinc/00/72/73/908007273.db2.gz GBPTWDVDYZEEMV-SFHVURJKSA-N 1 0 390.409 3.785 20 30 GHEDRO N#Cc1ccc(OCCC[N@@H+]2CCCN(Cc3ccccc3)CCOCC2)cc1 ZINC001176496076 908115034 /nfs/dbraw/zinc/11/50/34/908115034.db2.gz NENQMLJWXSNCNY-UHFFFAOYSA-N 1 0 393.531 3.552 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000187631713 908117424 /nfs/dbraw/zinc/11/74/24/908117424.db2.gz XDPOTFXUIVOTTG-HNNXBMFYSA-N 1 0 377.357 3.518 20 30 GHEDRO C=CCn1cc(Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cn1 ZINC001176550460 908174220 /nfs/dbraw/zinc/17/42/20/908174220.db2.gz NQMYFFGCJOOJCD-UHFFFAOYSA-N 1 0 379.430 3.579 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000188714983 908241818 /nfs/dbraw/zinc/24/18/18/908241818.db2.gz YOOQFCQJAMFYPD-UHFFFAOYSA-N 1 0 385.512 3.540 20 30 GHEDRO C[N@H+](CCCOc1cccc(C#N)c1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176971652 908337475 /nfs/dbraw/zinc/33/74/75/908337475.db2.gz SKAZKGGPYFINFZ-UHFFFAOYSA-N 1 0 387.524 3.906 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001177039042 908376475 /nfs/dbraw/zinc/37/64/75/908376475.db2.gz QOZGPKXCESPROC-FQEVSTJZSA-N 1 0 399.535 3.718 20 30 GHEDRO Cc1cccc(N2CCN(CCC[NH2+]Cc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC001177161974 908441019 /nfs/dbraw/zinc/44/10/19/908441019.db2.gz JJOJPPSYMSMWGX-UHFFFAOYSA-N 1 0 388.559 3.852 20 30 GHEDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC001177532529 908622163 /nfs/dbraw/zinc/62/21/63/908622163.db2.gz PCHKREGXQFIRCY-GOSISDBHSA-N 1 0 377.488 3.551 20 30 GHEDRO N#CC(CCN1CC[NH+](C2CCOCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000191524397 908637167 /nfs/dbraw/zinc/63/71/67/908637167.db2.gz QOHRQHNKUUVAEE-UHFFFAOYSA-N 1 0 389.543 3.683 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000192034217 908710060 /nfs/dbraw/zinc/71/00/60/908710060.db2.gz QLPPDQRMIMMWQJ-UYHISHBKSA-N 1 0 387.867 3.868 20 30 GHEDRO N#C[C@@H](Cc1cccs1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001177915854 908801141 /nfs/dbraw/zinc/80/11/41/908801141.db2.gz QFUOUADPDSQODW-WTGUMLROSA-N 1 0 379.529 3.742 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1ccccc1OCC#N)[NH+]1CCCCC1 ZINC000194182099 908863934 /nfs/dbraw/zinc/86/39/34/908863934.db2.gz GPWKFIHNYCGVGI-FQEVSTJZSA-N 1 0 393.487 3.555 20 30 GHEDRO CC(C)(Cc1ccccn1)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001178189414 908932908 /nfs/dbraw/zinc/93/29/08/908932908.db2.gz MXZUGWCOHVFGFT-AQYVVDRMSA-N 1 0 390.531 3.821 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cccc([N+](=O)[O-])c1)C(=S)N[C@@H](C)CC ZINC000194973657 908946342 /nfs/dbraw/zinc/94/63/42/908946342.db2.gz XYMMLJWPZBVRNA-AWEZNQCLSA-O 1 0 386.497 3.772 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000084600021 909044505 /nfs/dbraw/zinc/04/45/05/909044505.db2.gz YGXJLWUNHDZQNX-UHFFFAOYSA-N 1 0 375.516 3.582 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000266451777 909170440 /nfs/dbraw/zinc/17/04/40/909170440.db2.gz JRRYIJVOBFCXPU-SJORKVTESA-N 1 0 376.460 3.553 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1OC ZINC000267406201 909485623 /nfs/dbraw/zinc/48/56/23/909485623.db2.gz HEBMYWKZQGIZHX-KNQAVFIVSA-N 1 0 397.519 3.584 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267927958 909697354 /nfs/dbraw/zinc/69/73/54/909697354.db2.gz DUOMYCHXUYNQRZ-KSSFIOAISA-N 1 0 378.567 3.640 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)CC1 ZINC000267973013 909715769 /nfs/dbraw/zinc/71/57/69/909715769.db2.gz MXACVJNPACIVQJ-HSZRJFAPSA-N 1 0 376.500 3.637 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](C)C1 ZINC000268578580 909936028 /nfs/dbraw/zinc/93/60/28/909936028.db2.gz JWYFPLRTZGOMLC-BEFAXECRSA-N 1 0 397.548 3.800 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](C)C1 ZINC000268578581 909936651 /nfs/dbraw/zinc/93/66/51/909936651.db2.gz JWYFPLRTZGOMLC-DNVCBOLYSA-N 1 0 397.548 3.800 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000795335085 909964056 /nfs/dbraw/zinc/96/40/56/909964056.db2.gz UJCLOMMJBOCNCP-NVXWUHKLSA-N 1 0 377.513 3.660 20 30 GHEDRO C[N@H+]1CC[C@H]2CN(C(=O)C[C@H](C#N)c3c(Cl)cccc3Cl)C[C@H]2CC1 ZINC001274442382 909987026 /nfs/dbraw/zinc/98/70/26/909987026.db2.gz ABLQAIPMPMJLHF-QLFBSQMISA-N 1 0 380.319 3.791 20 30 GHEDRO C=CCN1CCC([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638523678 910170836 /nfs/dbraw/zinc/17/08/36/910170836.db2.gz DNHGRGMQNYQKJC-PMACEKPBSA-N 1 0 392.385 3.824 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)ccc1OC ZINC000246301231 910222036 /nfs/dbraw/zinc/22/20/36/910222036.db2.gz DCKQIMHWSKLULQ-IQHHKKDSSA-N 1 0 386.517 3.964 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3occc3COc3cccc(C#N)c3)C2)CC1 ZINC000270250893 910494768 /nfs/dbraw/zinc/49/47/68/910494768.db2.gz QJTLVHITRXRQEB-IBGZPJMESA-N 1 0 393.487 3.534 20 30 GHEDRO Cc1cccc(N(C(=O)CC2(C#N)CCCCC2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001181346380 910739328 /nfs/dbraw/zinc/73/93/28/910739328.db2.gz QLVPIZWEHOHCLS-OFNKIYASSA-N 1 0 381.520 3.713 20 30 GHEDRO N#CCCN(Cc1cccnc1)C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182038106 911139764 /nfs/dbraw/zinc/13/97/64/911139764.db2.gz GYDIKDUVJBENKD-UHFFFAOYSA-N 1 0 376.504 3.626 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366517483 921662030 /nfs/dbraw/zinc/66/20/30/921662030.db2.gz VBXHYEASBGKJCY-ICSRJNTNSA-N 1 0 382.508 3.558 20 30 GHEDRO COc1cccc(CN(C(=O)CCc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001182343060 911515244 /nfs/dbraw/zinc/51/52/44/911515244.db2.gz MKKWZDSSPFLXIE-HZCBDIJESA-N 1 0 391.515 3.798 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC2(C)CC2)cc1 ZINC000284063727 911738720 /nfs/dbraw/zinc/73/87/20/911738720.db2.gz JUCGSLMHZVESCS-UHFFFAOYSA-O 1 0 398.508 3.916 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000801957008 921681951 /nfs/dbraw/zinc/68/19/51/921681951.db2.gz UDDHPRPZABWWGB-FDFHNCONSA-N 1 0 385.458 3.683 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)c21 ZINC001182583114 911887726 /nfs/dbraw/zinc/88/77/26/911887726.db2.gz MTBZHZVKKXCXGI-LJQANCHMSA-N 1 0 386.499 3.610 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000642267637 911926685 /nfs/dbraw/zinc/92/66/85/911926685.db2.gz UBWCMJRFVLNWMS-NRFANRHFSA-N 1 0 394.515 3.583 20 30 GHEDRO N#Cc1cccc2c1CN(CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001182664745 911934123 /nfs/dbraw/zinc/93/41/23/911934123.db2.gz BBJQWSSNTSZXQL-UHFFFAOYSA-N 1 0 390.487 3.737 20 30 GHEDRO C[C@H]1[C@H](CC(=O)Nc2c[nH]nc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186935910 914882812 /nfs/dbraw/zinc/88/28/12/914882812.db2.gz LUJCEZOGTFWFOO-QFBILLFUSA-N 1 0 385.471 3.720 20 30 GHEDRO N#Cc1cc(NCc2ccc(Nc3cc[nH+]cc3)cc2)ncc1Br ZINC001187182918 915074288 /nfs/dbraw/zinc/07/42/88/915074288.db2.gz OGJPQXVDVLPUGM-UHFFFAOYSA-N 1 0 380.249 3.888 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Br)cc1)CC2 ZINC001275588542 915077598 /nfs/dbraw/zinc/07/75/98/915077598.db2.gz CZZXHHKUKXJZCG-UHFFFAOYSA-N 1 0 377.326 3.840 20 30 GHEDRO COc1cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC000303776260 915121918 /nfs/dbraw/zinc/12/19/18/915121918.db2.gz HTWIFKCZVZEHSV-UHFFFAOYSA-N 1 0 399.369 3.538 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cc(F)ccc2Br)c1 ZINC000303793577 915131373 /nfs/dbraw/zinc/13/13/73/915131373.db2.gz ZPMHJMVVLURGHG-UHFFFAOYSA-N 1 0 382.233 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000802011672 921755872 /nfs/dbraw/zinc/75/58/72/921755872.db2.gz RYYVMLVOGAFDTQ-JOCHJYFZSA-N 1 0 385.508 3.660 20 30 GHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC000303912412 915291272 /nfs/dbraw/zinc/29/12/72/915291272.db2.gz UQJLQZQQFSTEOX-QGZVFWFLSA-N 1 0 381.476 3.685 20 30 GHEDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H](C)O2 ZINC000366815242 921759992 /nfs/dbraw/zinc/75/99/92/921759992.db2.gz ZOJOGAJSDORTDC-SELNLUPBSA-N 1 0 394.519 3.622 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2cc(Br)ccc2F)c1 ZINC000303904898 915304898 /nfs/dbraw/zinc/30/48/98/915304898.db2.gz ZBLGRDDJWNDHGE-UHFFFAOYSA-N 1 0 396.260 3.575 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(OC(F)F)cc2)C(=S)NC2CCC2)c1 ZINC000292275996 915595061 /nfs/dbraw/zinc/59/50/61/915595061.db2.gz HMORCNBFUUAGSR-UHFFFAOYSA-O 1 0 391.463 3.965 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(Br)cc2C)cc1OC ZINC000304744785 915668599 /nfs/dbraw/zinc/66/85/99/915668599.db2.gz DULPUWDUANONGO-UHFFFAOYSA-N 1 0 378.270 3.702 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](O)c2ccccc2Cl)c1 ZINC000304744603 915669231 /nfs/dbraw/zinc/66/92/31/915669231.db2.gz DRWWIRVJZODZMR-QGZVFWFLSA-N 1 0 377.872 3.598 20 30 GHEDRO CC(C)COc1ccc(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc1 ZINC000304754192 915670376 /nfs/dbraw/zinc/67/03/76/915670376.db2.gz LSEVZBHOTDBFJP-UHFFFAOYSA-N 1 0 383.492 3.852 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001188000164 915675928 /nfs/dbraw/zinc/67/59/28/915675928.db2.gz AHLMWQRYZJCKNP-HDICACEKSA-N 1 0 384.611 3.802 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2c(F)cccc2F)N(C)C)cc1Cl ZINC000304763120 915700401 /nfs/dbraw/zinc/70/04/01/915700401.db2.gz WKTCBXDMNNHOTF-OAHLLOKOSA-N 1 0 382.842 3.656 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCc1cncn1Cc1cccc(F)c1 ZINC001188030023 915721697 /nfs/dbraw/zinc/72/16/97/915721697.db2.gz DXOBWWFFAMHBGL-UHFFFAOYSA-N 1 0 381.517 3.850 20 30 GHEDRO COc1ccc(O[C@H](C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000305251864 916031218 /nfs/dbraw/zinc/03/12/18/916031218.db2.gz VHNRKGXLTFXGMY-GFCCVEGCSA-N 1 0 383.370 3.788 20 30 GHEDRO N#CCc1cccc(C(=O)N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001188688859 916112653 /nfs/dbraw/zinc/11/26/53/916112653.db2.gz IOVBDMVERFSTOU-UHFFFAOYSA-N 1 0 387.405 3.862 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)COc2ccccc2OC)cc1Cl ZINC000305707939 916248241 /nfs/dbraw/zinc/24/82/41/916248241.db2.gz WNVBVVVHLBPNMP-CYBMUJFWSA-N 1 0 377.872 3.799 20 30 GHEDRO CCOc1cccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000775211412 916347286 /nfs/dbraw/zinc/34/72/86/916347286.db2.gz DLISLNXAUVRFBH-KXBFYZLASA-N 1 0 386.455 3.973 20 30 GHEDRO Cc1nn(C)c(C)c1CCCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000305771459 916369137 /nfs/dbraw/zinc/36/91/37/916369137.db2.gz KLGFXNAXEWNWGY-LLVKDONJSA-N 1 0 382.339 3.942 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(Cl)ccc3Cl)C2)C1=O ZINC001275727329 916445633 /nfs/dbraw/zinc/44/56/33/916445633.db2.gz JGCKAYPTXWSOHZ-IBGZPJMESA-N 1 0 381.303 3.911 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000294511579 916839663 /nfs/dbraw/zinc/83/96/63/916839663.db2.gz KFJMLEDAXMIBAP-UHFFFAOYSA-N 1 0 377.488 3.847 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000775337594 917035828 /nfs/dbraw/zinc/03/58/28/917035828.db2.gz JZXIIPZRZXAPMP-UGSOOPFHSA-N 1 0 380.366 3.872 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000362032322 917042961 /nfs/dbraw/zinc/04/29/61/917042961.db2.gz KWGUBQGZEMRDAZ-LJQANCHMSA-N 1 0 378.605 3.569 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000362798134 917425115 /nfs/dbraw/zinc/42/51/15/917425115.db2.gz RXDIDWNZLZWIOO-IEBWSBKVSA-N 1 0 378.476 3.716 20 30 GHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000796465316 917557779 /nfs/dbraw/zinc/55/77/79/917557779.db2.gz JIXUXUGFIIKBFI-NRFANRHFSA-N 1 0 393.487 3.575 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000796472869 917600914 /nfs/dbraw/zinc/60/09/14/917600914.db2.gz ZAWYJPLTCVFXTR-IFXJQAMLSA-N 1 0 389.293 3.737 20 30 GHEDRO CCCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001190853755 917604114 /nfs/dbraw/zinc/60/41/14/917604114.db2.gz BYJVGZKTMBGUCL-QHCPKHFHSA-N 1 0 390.531 3.873 20 30 GHEDRO CCCCCCCCNC(=O)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001191058930 917730021 /nfs/dbraw/zinc/73/00/21/917730021.db2.gz ACVUSDUVQHTRGY-IFMALSPDSA-N 1 0 379.589 3.737 20 30 GHEDRO N#Cc1ccc(OCCC[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000796525344 918067155 /nfs/dbraw/zinc/06/71/55/918067155.db2.gz JWXLINYBCZHHEN-QGZVFWFLSA-N 1 0 380.366 3.549 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)c1 ZINC000115374906 919449736 /nfs/dbraw/zinc/44/97/36/919449736.db2.gz IWRGNQSAUNFCNX-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000115358231 919450320 /nfs/dbraw/zinc/45/03/20/919450320.db2.gz PZIRQIROLHXDJG-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1ccc(C[C@H]([NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2ccccn2)cc1 ZINC000115606768 919461616 /nfs/dbraw/zinc/46/16/16/919461616.db2.gz QISYIZRIRFEKCF-HARLFGEKSA-N 1 0 378.520 3.706 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1C#N ZINC000119553830 919638096 /nfs/dbraw/zinc/63/80/96/919638096.db2.gz WLUYDXCQNWWOKC-AUSJPIAWSA-N 1 0 382.508 3.971 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000297939806 919996627 /nfs/dbraw/zinc/99/66/27/919996627.db2.gz AFUWZUXDYZRVDG-AZUAARDMSA-N 1 0 387.842 3.799 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000900774181 920594192 /nfs/dbraw/zinc/59/41/92/920594192.db2.gz TVEHSZZTEZCHFX-UHFFFAOYSA-N 1 0 376.888 3.637 20 30 GHEDRO C[C@]1(CNC(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000801060064 920748290 /nfs/dbraw/zinc/74/82/90/920748290.db2.gz ABXKGPAJTIVUDJ-JOCHJYFZSA-N 1 0 396.922 3.923 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(F)c3)CC2)C1=O ZINC001275992218 920989890 /nfs/dbraw/zinc/98/98/90/920989890.db2.gz UWWORHVVDPTBGN-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000801426246 921020995 /nfs/dbraw/zinc/02/09/95/921020995.db2.gz WQPLQVZGNXJJGN-MRXNPFEDSA-N 1 0 379.460 3.584 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367042391 921889315 /nfs/dbraw/zinc/88/93/15/921889315.db2.gz GUDCVPAWRAWGHX-GNWGEKMJSA-N 1 0 391.556 3.711 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000802560197 922219764 /nfs/dbraw/zinc/21/97/64/922219764.db2.gz ORGKMCADBGLNFR-QGZVFWFLSA-N 1 0 386.931 3.634 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1cc(C#N)ccn1 ZINC000902786557 922496144 /nfs/dbraw/zinc/49/61/44/922496144.db2.gz PLJHQEJNDPVYPD-INIZCTEOSA-N 1 0 380.492 3.871 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000902888096 922581488 /nfs/dbraw/zinc/58/14/88/922581488.db2.gz PZYZCOWJBCGOOM-QFIPXVFZSA-N 1 0 397.544 3.725 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000370074002 923843384 /nfs/dbraw/zinc/84/33/84/923843384.db2.gz SKVGXOGESIMIPN-HXUWFJFHSA-N 1 0 385.471 3.913 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000370675693 924250399 /nfs/dbraw/zinc/25/03/99/924250399.db2.gz DJJPGJPABNQTBZ-DNVCBOLYSA-N 1 0 375.900 3.735 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000409788567 925013887 /nfs/dbraw/zinc/01/38/87/925013887.db2.gz FBLOGZJQJLFKOF-SEVLPDGMSA-N 1 0 391.515 3.969 20 30 GHEDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)[nH]1 ZINC001137375215 925146145 /nfs/dbraw/zinc/14/61/45/925146145.db2.gz LQBLJEYOCCDAIG-HSZRJFAPSA-N 1 0 376.504 3.813 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001276078834 925249968 /nfs/dbraw/zinc/24/99/68/925249968.db2.gz RLWMCFFXOSEZFS-UHFFFAOYSA-N 1 0 393.325 3.545 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC#Cc3ccccc3)cc2)C1 ZINC000410365392 925572790 /nfs/dbraw/zinc/57/27/90/925572790.db2.gz NWZXWVZTGSIVMD-FQEVSTJZSA-N 1 0 375.516 3.769 20 30 GHEDRO C=CCN1CC[C@@H]([N@H+](C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)C1=O ZINC000410376543 925583348 /nfs/dbraw/zinc/58/33/48/925583348.db2.gz UVNNCMAGIQXRBO-OAQYLSRUSA-N 1 0 384.499 3.647 20 30 GHEDRO C=CCCOCc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000680774400 925602633 /nfs/dbraw/zinc/60/26/33/925602633.db2.gz STMHAWVWFODCAW-UHFFFAOYSA-N 1 0 376.888 3.625 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000133036117 926039013 /nfs/dbraw/zinc/03/90/13/926039013.db2.gz ASNUKKIJVGZCJB-DYESRHJHSA-N 1 0 380.488 3.739 20 30 GHEDRO C[C@H](CCC#N)[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000411307701 926301939 /nfs/dbraw/zinc/30/19/39/926301939.db2.gz HRVABSLYQQIWCG-CYBMUJFWSA-N 1 0 384.261 3.827 20 30 GHEDRO CCC[N@H+](C[C@H]1CCCCO1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000411364238 926332140 /nfs/dbraw/zinc/33/21/40/926332140.db2.gz FLHPINRQXVIZQI-RBUKOAKNSA-N 1 0 387.524 3.611 20 30 GHEDRO C[C@H]1COC[C@@H](c2ccccc2)N1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411415639 926368835 /nfs/dbraw/zinc/36/88/35/926368835.db2.gz BRYANJALCUZIGV-KXBFYZLASA-N 1 0 395.528 3.899 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)cc1 ZINC000411466333 926424191 /nfs/dbraw/zinc/42/41/91/926424191.db2.gz RESNZNOVQVDDQX-MRXNPFEDSA-N 1 0 383.517 3.976 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000411475242 926433997 /nfs/dbraw/zinc/43/39/97/926433997.db2.gz NNGXVGQFEJKQNM-GOSISDBHSA-N 1 0 375.831 3.657 20 30 GHEDRO CO[C@](C)([C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000411959147 926944577 /nfs/dbraw/zinc/94/45/77/926944577.db2.gz YAOOXRBIJPAOJL-ZUOKHONESA-N 1 0 375.538 3.620 20 30 GHEDRO N#Cc1ccc(OCCNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 ZINC000374333658 927026844 /nfs/dbraw/zinc/02/68/44/927026844.db2.gz VRLMUYACTHMBKF-UHFFFAOYSA-N 1 0 399.454 3.674 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412074842 927064304 /nfs/dbraw/zinc/06/43/04/927064304.db2.gz RHYBCCOEYOAIII-DLBZAZTESA-N 1 0 385.508 3.719 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412086206 927073356 /nfs/dbraw/zinc/07/33/56/927073356.db2.gz ZZMWMUILGRPSIH-ZWKOTPCHSA-N 1 0 391.556 3.551 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3csc(Cl)c3)C2)C1=O ZINC001276205239 927361838 /nfs/dbraw/zinc/36/18/38/927361838.db2.gz HCEVUUXUPYAXEW-WIYYLYMNSA-N 1 0 384.932 3.853 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1nnc(C)s1 ZINC000412987427 928075437 /nfs/dbraw/zinc/07/54/37/928075437.db2.gz JQNPXGSLVFAHFK-CYBMUJFWSA-N 1 0 378.571 3.506 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3occc3Br)CC2)C1=O ZINC001276247264 928304769 /nfs/dbraw/zinc/30/47/69/928304769.db2.gz FMBAQTNAKQMKNS-SFHVURJKSA-N 1 0 394.313 3.550 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)CC1 ZINC000413230842 928345895 /nfs/dbraw/zinc/34/58/95/928345895.db2.gz FEOMWVCMDFEIEI-MRXNPFEDSA-N 1 0 386.515 3.588 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000466978687 928560534 /nfs/dbraw/zinc/56/05/34/928560534.db2.gz HTTOSSFFUDBVDT-QFBILLFUSA-N 1 0 379.508 3.899 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000467014602 928590172 /nfs/dbraw/zinc/59/01/72/928590172.db2.gz SLIROFQLSGDFCO-UHFFFAOYSA-N 1 0 388.462 3.712 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1 ZINC000752129611 928629822 /nfs/dbraw/zinc/62/98/22/928629822.db2.gz NDSYWRBVDQIYEZ-UIOOFZCWSA-N 1 0 398.506 3.928 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1 ZINC000752129608 928629850 /nfs/dbraw/zinc/62/98/50/928629850.db2.gz NDSYWRBVDQIYEZ-CLJLJLNGSA-N 1 0 398.506 3.928 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1C#N ZINC000752180231 928663501 /nfs/dbraw/zinc/66/35/01/928663501.db2.gz FDJJBZODHXYCRL-UHFFFAOYSA-N 1 0 381.436 3.832 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467121524 928723376 /nfs/dbraw/zinc/72/33/76/928723376.db2.gz YVLXSRZPJOTWFM-INIZCTEOSA-N 1 0 389.565 3.966 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000544119383 928829603 /nfs/dbraw/zinc/82/96/03/928829603.db2.gz CWJPEKROBPZXMJ-QFIPXVFZSA-N 1 0 391.515 3.995 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000544355449 929086685 /nfs/dbraw/zinc/08/66/85/929086685.db2.gz GUWQESKEANPRKF-KXBFYZLASA-N 1 0 380.479 3.978 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000753099033 929204755 /nfs/dbraw/zinc/20/47/55/929204755.db2.gz RIIFPHMHAWJJCQ-RJGXRXQPSA-N 1 0 391.515 3.697 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000467712670 929327779 /nfs/dbraw/zinc/32/77/79/929327779.db2.gz DSUFVCLICFWOSM-JLTOFOAXSA-N 1 0 379.435 3.702 20 30 GHEDRO COC(=O)[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000753733139 929505859 /nfs/dbraw/zinc/50/58/59/929505859.db2.gz SOEOUTVHLVIXSF-JMUQELJHSA-N 1 0 391.515 3.663 20 30 GHEDRO COC(=O)[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000753733140 929506142 /nfs/dbraw/zinc/50/61/42/929506142.db2.gz SOEOUTVHLVIXSF-QTGUNEKASA-N 1 0 391.515 3.663 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000469263291 929746053 /nfs/dbraw/zinc/74/60/53/929746053.db2.gz LAEALSVIBRBQPG-UHFFFAOYSA-N 1 0 380.492 3.701 20 30 GHEDRO C#CC[C@@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000757777974 929796550 /nfs/dbraw/zinc/79/65/50/929796550.db2.gz KUTSUUHIZLEQHN-JOCHJYFZSA-N 1 0 376.504 3.715 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1C#N ZINC000469487366 929933365 /nfs/dbraw/zinc/93/33/65/929933365.db2.gz GMIYVNMZWZIYJL-UHFFFAOYSA-N 1 0 394.544 3.587 20 30 GHEDRO COCCn1cc2c(n1)[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)CCC2 ZINC000546224432 929972060 /nfs/dbraw/zinc/97/20/60/929972060.db2.gz ZNVRESAZVFUFRQ-QKDPSFTKSA-N 1 0 378.520 3.901 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000469880383 930232259 /nfs/dbraw/zinc/23/22/59/930232259.db2.gz IZLJCUOHXDDFSJ-ZMSDIMECSA-N 1 0 395.341 3.582 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccc(C(C)(C)C)cc1 ZINC000759059076 930260404 /nfs/dbraw/zinc/26/04/04/930260404.db2.gz OOUZXHXEENHVOG-UHFFFAOYSA-O 1 0 393.532 3.736 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(CC)cc1 ZINC000759063872 930261183 /nfs/dbraw/zinc/26/11/83/930261183.db2.gz QYCPKHLOQJWFFB-UHFFFAOYSA-O 1 0 377.533 3.849 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000470009945 930312938 /nfs/dbraw/zinc/31/29/38/930312938.db2.gz SISRQSREKHIEOA-XYPWUTKMSA-N 1 0 395.341 3.737 20 30 GHEDRO CC(C)C[C@H](CNC(=O)NCc1ccc(C#N)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000780535439 930543722 /nfs/dbraw/zinc/54/37/22/930543722.db2.gz DLIGJVOSVNVHHI-DYESRHJHSA-N 1 0 379.508 3.518 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000780958357 930651576 /nfs/dbraw/zinc/65/15/76/930651576.db2.gz GDIXQALZZIBJAK-UHFFFAOYSA-N 1 0 377.423 3.505 20 30 GHEDRO CS(=O)(=O)c1ccccc1N=NC1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781127713 930709350 /nfs/dbraw/zinc/70/93/50/930709350.db2.gz QAFJUOAYROAZED-MOPGFXCFSA-N 1 0 397.544 3.790 20 30 GHEDRO C=C(C)C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccccc1 ZINC000470905380 931019726 /nfs/dbraw/zinc/01/97/26/931019726.db2.gz GPXCNBXVMKGQTR-UHFFFAOYSA-N 1 0 381.432 3.971 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000471043275 931113453 /nfs/dbraw/zinc/11/34/53/931113453.db2.gz FJOUUCLMETVIMY-IBGZPJMESA-N 1 0 399.583 3.694 20 30 GHEDRO C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782524408 931256641 /nfs/dbraw/zinc/25/66/41/931256641.db2.gz QVBZVFPNGJPVFB-AWEZNQCLSA-N 1 0 375.394 3.944 20 30 GHEDRO C[N@H+](CCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1)C1CC1 ZINC000557449342 931434774 /nfs/dbraw/zinc/43/47/74/931434774.db2.gz VLAGVRKVRGKKSF-UHFFFAOYSA-N 1 0 389.908 3.649 20 30 GHEDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924947699 931593105 /nfs/dbraw/zinc/59/31/05/931593105.db2.gz FGTSJMZCVVRVSX-CVEARBPZSA-N 1 0 389.544 3.699 20 30 GHEDRO N#CCN1CCC([NH2+][C@@H](Cc2ccccc2Br)c2ccco2)CC1 ZINC000925005028 931609979 /nfs/dbraw/zinc/60/99/79/931609979.db2.gz XFXBAFHWVYIMPQ-SFHVURJKSA-N 1 0 388.309 3.903 20 30 GHEDRO N#Cc1ccc(Cl)cc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557737082 931641905 /nfs/dbraw/zinc/64/19/05/931641905.db2.gz VALZUOMSVUNCNC-OAQYLSRUSA-N 1 0 380.923 3.608 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000925298069 931734397 /nfs/dbraw/zinc/73/43/97/931734397.db2.gz QGIKHRILBNJKAN-SQNIBIBYSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)cc(OC)c1OC ZINC000925357794 931755192 /nfs/dbraw/zinc/75/51/92/931755192.db2.gz VMAPBFYLAVRZFE-MRXNPFEDSA-N 1 0 378.476 3.864 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000558133315 931853329 /nfs/dbraw/zinc/85/33/29/931853329.db2.gz LLATWWYUUJNBNO-YJBOKZPZSA-N 1 0 392.421 3.880 20 30 GHEDRO C#CC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000784354362 931866713 /nfs/dbraw/zinc/86/67/13/931866713.db2.gz VVDQLNWGOKVTQW-IEBWSBKVSA-N 1 0 392.268 3.682 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000558457040 932011729 /nfs/dbraw/zinc/01/17/29/932011729.db2.gz QNNVBGWIQIXSPN-UHFFFAOYSA-N 1 0 381.568 3.950 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[C@@H]1C[NH3+] ZINC000926045169 932015966 /nfs/dbraw/zinc/01/59/66/932015966.db2.gz GPKQEEAQOAUXSU-LSDHHAIUSA-N 1 0 382.439 3.938 20 30 GHEDRO CC(C)(C)OC(=O)N(CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000796747503 932051533 /nfs/dbraw/zinc/05/15/33/932051533.db2.gz ZVKCYCULVAQEST-UHFFFAOYSA-N 1 0 384.524 3.516 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC3CCN(c4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000796858314 932090537 /nfs/dbraw/zinc/09/05/37/932090537.db2.gz IBDLJIMWPZQTJX-UHFFFAOYSA-N 1 0 389.547 3.781 20 30 GHEDRO Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n(C)n1 ZINC000926236367 932093875 /nfs/dbraw/zinc/09/38/75/932093875.db2.gz NLCVPGSZPANRBO-QJDYRKAXSA-N 1 0 393.535 3.686 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)O ZINC000926266420 932105910 /nfs/dbraw/zinc/10/59/10/932105910.db2.gz VGEUSLKAOAOHJD-IRXDYDNUSA-N 1 0 381.561 3.691 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000558630662 932124922 /nfs/dbraw/zinc/12/49/22/932124922.db2.gz STQCEWDUFHZICH-TZIWHRDSSA-N 1 0 383.536 3.878 20 30 GHEDRO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCN(c3ccccc3C#N)CC2)n(C)n1 ZINC000926787071 932306815 /nfs/dbraw/zinc/30/68/15/932306815.db2.gz SZVJVYNWIKWDOD-AVRDEDQJSA-N 1 0 377.536 3.570 20 30 GHEDRO CN(C(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1)c1ccccc1 ZINC000797529628 932322105 /nfs/dbraw/zinc/32/21/05/932322105.db2.gz BAXOBFDDVYIETI-INIZCTEOSA-N 1 0 383.879 3.727 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000559085219 932424837 /nfs/dbraw/zinc/42/48/37/932424837.db2.gz CKTQXJXLYWQZFX-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)Nc2ccc(OC)c(OCC[NH+](CC)CC)c2)C1 ZINC000626341529 932727850 /nfs/dbraw/zinc/72/78/50/932727850.db2.gz FQJAQRVOILSCGV-QGZVFWFLSA-N 1 0 375.513 3.846 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000559683169 932792695 /nfs/dbraw/zinc/79/26/95/932792695.db2.gz ROWCLNJPHUXLRF-OALUTQOASA-N 1 0 385.552 3.538 20 30 GHEDRO Cc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1C#N ZINC000799556241 933037026 /nfs/dbraw/zinc/03/70/26/933037026.db2.gz BNYPETXXXNMHDW-FQEVSTJZSA-N 1 0 375.472 3.585 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)CC1 ZINC000928655161 933053125 /nfs/dbraw/zinc/05/31/25/933053125.db2.gz RLOSPILKEWBZCY-UHFFFAOYSA-N 1 0 375.444 3.575 20 30 GHEDRO N#Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)ccc1OC(F)(F)F ZINC000799739478 933105553 /nfs/dbraw/zinc/10/55/53/933105553.db2.gz ZIEIVYHNQTUZRP-UHFFFAOYSA-N 1 0 376.382 3.928 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1F ZINC000560580585 933359915 /nfs/dbraw/zinc/35/99/15/933359915.db2.gz YUJMYGBWIFWHKG-KNQAVFIVSA-N 1 0 377.463 3.824 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC001116347739 933500259 /nfs/dbraw/zinc/50/02/59/933500259.db2.gz XRVXNTHYJPTWQR-NRFANRHFSA-N 1 0 391.519 3.913 20 30 GHEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116439514 933558855 /nfs/dbraw/zinc/55/88/55/933558855.db2.gz DUMIVCMJDWDTFZ-UHFFFAOYSA-N 1 0 380.511 3.860 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000560942788 933712430 /nfs/dbraw/zinc/71/24/30/933712430.db2.gz HCBNKYCZKMPPDH-FCEWJHQRSA-N 1 0 380.879 3.679 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000561243741 933986117 /nfs/dbraw/zinc/98/61/17/933986117.db2.gz DZEGLAWMEGSERW-JOCHJYFZSA-N 1 0 379.891 3.950 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001117763869 934011387 /nfs/dbraw/zinc/01/13/87/934011387.db2.gz UVYGLGWJULSWQW-CWAQXLGLSA-N 1 0 387.527 3.997 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)ccc1SC ZINC000561403519 934128478 /nfs/dbraw/zinc/12/84/78/934128478.db2.gz HBINNFGXZNEWLT-UHFFFAOYSA-N 1 0 375.519 3.811 20 30 GHEDRO N#CCOc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001118858427 934269339 /nfs/dbraw/zinc/26/93/39/934269339.db2.gz INBYNNISXAXYAG-NRFANRHFSA-N 1 0 375.472 3.830 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)c1 ZINC001120278299 934452818 /nfs/dbraw/zinc/45/28/18/934452818.db2.gz XPDIDQUIGHUSMM-HXUWFJFHSA-N 1 0 391.471 3.549 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC001120469512 934467180 /nfs/dbraw/zinc/46/71/80/934467180.db2.gz ZNPNVSXCTIUAOO-FUHWJXTLSA-N 1 0 378.476 3.579 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000931488425 934580523 /nfs/dbraw/zinc/58/05/23/934580523.db2.gz SFZBVJHHGIQPJQ-MRXNPFEDSA-N 1 0 379.464 3.599 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121502716 934677190 /nfs/dbraw/zinc/67/71/90/934677190.db2.gz UQLLIOGOXDFXGR-UYAOXDASSA-N 1 0 378.524 3.582 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000931703612 934680551 /nfs/dbraw/zinc/68/05/51/934680551.db2.gz XFISQPAHPMUOHS-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121597325 934711471 /nfs/dbraw/zinc/71/14/71/934711471.db2.gz CKQBWYJWDFALDC-FQEVSTJZSA-N 1 0 390.535 3.509 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]1c1ccccc1OC ZINC001121667330 934732832 /nfs/dbraw/zinc/73/28/32/934732832.db2.gz JDHHTDMNLRFGGE-MJGOQNOKSA-N 1 0 381.524 3.623 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001121690692 934740412 /nfs/dbraw/zinc/74/04/12/934740412.db2.gz RHIJNGSPEGPUDA-KRWDZBQOSA-N 1 0 379.499 3.822 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001121715319 934745870 /nfs/dbraw/zinc/74/58/70/934745870.db2.gz WUYZKBCHGWYTJH-CQSZACIVSA-N 1 0 387.478 3.675 20 30 GHEDRO C=CCn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nnc1C(F)(F)CC1CC1 ZINC001121731684 934749620 /nfs/dbraw/zinc/74/96/20/934749620.db2.gz CAWQLBQPWJMHDN-BBWFWOEESA-N 1 0 379.499 3.523 20 30 GHEDRO CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001121813510 934771056 /nfs/dbraw/zinc/77/10/56/934771056.db2.gz PRNOVGZCWUZIEF-PKTZIBPZSA-N 1 0 392.551 3.592 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001122490800 934882120 /nfs/dbraw/zinc/88/21/20/934882120.db2.gz UVNYPNLKNKZICT-LJQANCHMSA-N 1 0 395.551 3.569 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]([NH+]3CCCCC3)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001122495343 934882425 /nfs/dbraw/zinc/88/24/25/934882425.db2.gz RGJXYZIHNINFAQ-WMZHIEFXSA-N 1 0 394.567 3.644 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC=NO2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001122594805 934912369 /nfs/dbraw/zinc/91/23/69/934912369.db2.gz HDQIZZZYTPGURE-SFHVURJKSA-N 1 0 386.544 3.536 20 30 GHEDRO C=CCN(c1nnc([C@@H](C)N(C)Cc2ccccc2)n1C[C@@H]1CCOC1)C1CC1 ZINC001123227242 935123242 /nfs/dbraw/zinc/12/32/42/935123242.db2.gz QJDONSXCHFFUFU-QUCCMNQESA-N 1 0 395.551 3.662 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(N3Cc4ccccc4[C@@H]3C)n2CC2CC2)CC1 ZINC001123722006 935267981 /nfs/dbraw/zinc/26/79/81/935267981.db2.gz FAULFRSADXABDN-KRWDZBQOSA-N 1 0 375.520 3.582 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000828015476 935527917 /nfs/dbraw/zinc/52/79/17/935527917.db2.gz GENJFBYVHWTFSP-SIKLNZKXSA-N 1 0 376.500 3.729 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001137727811 935752936 /nfs/dbraw/zinc/75/29/36/935752936.db2.gz RWNAZCMDBLDFOQ-UHFFFAOYSA-N 1 0 375.463 3.765 20 30 GHEDRO C[NH+](C)CCc1cccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC001137804752 935798866 /nfs/dbraw/zinc/79/88/66/935798866.db2.gz WGNVJFRSZINIGT-UHFFFAOYSA-N 1 0 393.878 3.754 20 30 GHEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCCC1(C)C ZINC001573330615 947438541 /nfs/dbraw/zinc/43/85/41/947438541.db2.gz ZRAJBERUTLGTLW-INIZCTEOSA-N 1 0 388.903 3.525 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000545294418 1015749311 /nfs/dbraw/zinc/74/93/11/1015749311.db2.gz IKIAUBOOWOJFCC-MRXNPFEDSA-N 1 0 378.476 3.914 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1 ZINC000468659777 1015880218 /nfs/dbraw/zinc/88/02/18/1015880218.db2.gz KNYAHJRRXQDIOM-JTHBVZDNSA-N 1 0 383.536 3.986 20 30 GHEDRO COc1c(Cl)c(Cl)ccc1C[N@@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001276816480 1032144168 /nfs/dbraw/zinc/14/41/68/1032144168.db2.gz DSNQAUSLFLLINH-IBGZPJMESA-N 1 0 396.318 3.730 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)on2)c1 ZINC000468985202 1016307008 /nfs/dbraw/zinc/30/70/08/1016307008.db2.gz MZIBDHWIOAGXTL-IBGZPJMESA-N 1 0 392.503 3.941 20 30 GHEDRO Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000471022829 1016944374 /nfs/dbraw/zinc/94/43/74/1016944374.db2.gz QFVMKGYKVHJTEA-ZRZAMGCNSA-N 1 0 397.526 3.523 20 30 GHEDRO COc1ccccc1[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccccn1 ZINC000924919804 1017022921 /nfs/dbraw/zinc/02/29/21/1017022921.db2.gz BABOOGPEWVIWBH-DEOSSOPVSA-N 1 0 399.498 3.705 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000557848787 1017056711 /nfs/dbraw/zinc/05/67/11/1017056711.db2.gz KDHHEUFWGMSGSE-NRFANRHFSA-N 1 0 378.520 3.692 20 30 GHEDRO N#Cc1cnc(CNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)s1 ZINC001220872140 1032162289 /nfs/dbraw/zinc/16/22/89/1032162289.db2.gz LPUPUQGOUWPZTN-FQEVSTJZSA-N 1 0 386.480 3.507 20 30 GHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220892360 1032177614 /nfs/dbraw/zinc/17/76/14/1032177614.db2.gz DBLYIYNBBZLSNH-QGZVFWFLSA-N 1 0 398.532 3.507 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC1 ZINC001226978773 1032220098 /nfs/dbraw/zinc/22/00/98/1032220098.db2.gz SJURKBSSHMXHHE-UHFFFAOYSA-N 1 0 382.335 3.668 20 30 GHEDRO Cc1ccccc1CC(C)(C)CNC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1 ZINC001221159745 1032310483 /nfs/dbraw/zinc/31/04/83/1032310483.db2.gz KMLDEJRLPLQZJE-XXBNENTESA-N 1 0 389.543 3.772 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccc(Cl)c(N)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221185708 1032321231 /nfs/dbraw/zinc/32/12/31/1032321231.db2.gz FJNMMVPCOLGHAD-IYARVYRRSA-N 1 0 382.895 3.706 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)cc1 ZINC001221412916 1032405051 /nfs/dbraw/zinc/40/50/51/1032405051.db2.gz HDTKXSKJDHRTQS-QFIPXVFZSA-N 1 0 391.540 3.968 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC001155307088 1032494626 /nfs/dbraw/zinc/49/46/26/1032494626.db2.gz PXGRUJABLIYQCY-HNNXBMFYSA-N 1 0 377.835 3.815 20 30 GHEDRO N#CC1(NC(=O)c2ccc3[nH]ccc3c2F)CC[NH+](Cc2ccccc2)CC1 ZINC001155422643 1032537167 /nfs/dbraw/zinc/53/71/67/1032537167.db2.gz WMILDYVQSIHJNY-UHFFFAOYSA-N 1 0 376.435 3.595 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000928653691 1017541740 /nfs/dbraw/zinc/54/17/40/1017541740.db2.gz WXASYQIKWFSXHM-UHFFFAOYSA-N 1 0 395.484 3.573 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000930198525 1017799298 /nfs/dbraw/zinc/79/92/98/1017799298.db2.gz MCWSUUAQVLLFDU-KRWDZBQOSA-N 1 0 377.488 3.683 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(-n2ccnn2)c1 ZINC000561355083 1017849378 /nfs/dbraw/zinc/84/93/78/1017849378.db2.gz YTKFKMBFLMFSFL-LPHOPBHVSA-N 1 0 390.466 3.598 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCc3nc(C(=O)NCC(C)C)sc3CC2)cc1 ZINC001204300306 1032740559 /nfs/dbraw/zinc/74/05/59/1032740559.db2.gz LDZIIHWCMTXLRE-UHFFFAOYSA-N 1 0 399.560 3.695 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccnn3C3CCCC3)CC2)c1 ZINC000562515782 1018258057 /nfs/dbraw/zinc/25/80/57/1018258057.db2.gz LBEBPTIKJJAQIN-UHFFFAOYSA-N 1 0 377.492 3.721 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]2CCCO[C@@H]21 ZINC000562546513 1018300984 /nfs/dbraw/zinc/30/09/84/1018300984.db2.gz ZGXAYUZKQBXIIT-KYNGSXCRSA-N 1 0 387.549 3.620 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC001155877555 1032757929 /nfs/dbraw/zinc/75/79/29/1032757929.db2.gz OMAHHVXFPXFMGS-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000562742896 1018592519 /nfs/dbraw/zinc/59/25/19/1018592519.db2.gz HCKYFIQPRBEVKA-UHFFFAOYSA-N 1 0 378.524 3.559 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(F)cc1 ZINC000562878422 1018741849 /nfs/dbraw/zinc/74/18/49/1018741849.db2.gz FBJXMSCWYOGBOL-MRXNPFEDSA-N 1 0 392.381 3.723 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001228118821 1032793158 /nfs/dbraw/zinc/79/31/58/1032793158.db2.gz HXSLBCRQFAHYIA-QFIPXVFZSA-N 1 0 390.531 3.843 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001204371066 1032812504 /nfs/dbraw/zinc/81/25/04/1032812504.db2.gz SNTMFTPKKCAJGH-GOTSBHOMSA-N 1 0 377.488 3.541 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2cccc(C#N)c2)C1 ZINC000569520055 1019496758 /nfs/dbraw/zinc/49/67/58/1019496758.db2.gz BCAFDIUFGKNCFH-IBGZPJMESA-N 1 0 390.531 3.832 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)CC2 ZINC000570011642 1019549681 /nfs/dbraw/zinc/54/96/81/1019549681.db2.gz BGJNPAPJFKJNOY-YWZLYKJASA-N 1 0 385.305 3.749 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000571222892 1019669504 /nfs/dbraw/zinc/66/95/04/1019669504.db2.gz MYNZRUIMWRJXIU-HKUYNNGSSA-N 1 0 387.405 3.908 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccc(OC(F)(F)F)c1)CC2 ZINC001204428112 1032860558 /nfs/dbraw/zinc/86/05/58/1032860558.db2.gz CEGRTODGQUOLKO-UHFFFAOYSA-N 1 0 384.398 3.806 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000575068320 1019922289 /nfs/dbraw/zinc/92/22/89/1019922289.db2.gz CQPBMNVEQVBTTR-UHFFFAOYSA-N 1 0 375.561 3.861 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000779006968 1020181318 /nfs/dbraw/zinc/18/13/18/1020181318.db2.gz XRIYGAFUCYOQRA-UHFFFAOYSA-N 1 0 382.508 3.684 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1OC ZINC000628159789 1020672059 /nfs/dbraw/zinc/67/20/59/1020672059.db2.gz XTALWCSFQVVBPK-MRXNPFEDSA-N 1 0 394.943 3.898 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)cc1OC ZINC000628281746 1020687267 /nfs/dbraw/zinc/68/72/67/1020687267.db2.gz SYWTXFPWBUEICR-INIZCTEOSA-N 1 0 380.916 3.652 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1ccc(N2CC[NH2+]CC2)nn1 ZINC001156221303 1032930020 /nfs/dbraw/zinc/93/00/20/1032930020.db2.gz MUJSUUMFSAAVTA-IBGZPJMESA-N 1 0 398.514 3.526 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000192350530 1020865432 /nfs/dbraw/zinc/86/54/32/1020865432.db2.gz CTRJFLOOYVXKOO-FOIQADDNSA-N 1 0 381.451 3.834 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(Br)cc3F)cc2C#N)CC1 ZINC001212870932 1021013888 /nfs/dbraw/zinc/01/38/88/1021013888.db2.gz RKMKCTJMFDGELS-UHFFFAOYSA-N 1 0 389.272 3.955 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)oc1C ZINC001204531869 1032954519 /nfs/dbraw/zinc/95/45/19/1032954519.db2.gz ARUPHILYVZXPQQ-QHCPKHFHSA-N 1 0 379.504 3.887 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccnc(O[C@H](C)CC(C)C)c2)cc1OC ZINC000304750747 1021154676 /nfs/dbraw/zinc/15/46/76/1021154676.db2.gz IQPUSTRALRUYQB-OAHLLOKOSA-N 1 0 386.496 3.839 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(F)ccc1Br)C2 ZINC001204541279 1032960347 /nfs/dbraw/zinc/96/03/47/1032960347.db2.gz HTYJWHKFLOFJKF-SJLPKXTDSA-N 1 0 384.289 3.914 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000834505403 1021230045 /nfs/dbraw/zinc/23/00/45/1021230045.db2.gz KNCGGLWLJMPPCP-APWZRJJASA-N 1 0 391.496 3.708 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(F)c(OC)c3)CC2)C1 ZINC001204555700 1032969094 /nfs/dbraw/zinc/96/90/94/1032969094.db2.gz PYNUPNVIRNJFDE-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3ccc(N4CCCC4)c(C#N)c3)c2)CC1 ZINC001204564657 1032974521 /nfs/dbraw/zinc/97/45/21/1032974521.db2.gz PGQIWCVYPVGRAT-UHFFFAOYSA-N 1 0 375.520 3.649 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1[nH]nc3ccc(C)cc31)CC2 ZINC001140327756 1021412626 /nfs/dbraw/zinc/41/26/26/1021412626.db2.gz GYUHQVBVBGHYNH-UHFFFAOYSA-N 1 0 382.508 3.872 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3cc(C#N)ccc3Br)c2)CC1 ZINC001204581428 1032983607 /nfs/dbraw/zinc/98/36/07/1032983607.db2.gz UVEQIDKAOLBVQL-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)c1 ZINC000834903389 1021654341 /nfs/dbraw/zinc/65/43/41/1021654341.db2.gz PGDXDSJZHZYKBH-CYBMUJFWSA-N 1 0 379.428 3.524 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CCC([NH+]3CCC3)CC2)c2cc(C#N)ccc21 ZINC001140441660 1021716813 /nfs/dbraw/zinc/71/68/13/1021716813.db2.gz NPTZBCRIVNVYIL-UHFFFAOYSA-N 1 0 394.519 3.966 20 30 GHEDRO Cc1c(O[C@H](CC#N)C[N+](C)(C)C)ccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001228605986 1033003620 /nfs/dbraw/zinc/00/36/20/1033003620.db2.gz VFTVBZSZNIBCOE-GOSISDBHSA-N 1 0 388.532 3.656 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000835067678 1021849459 /nfs/dbraw/zinc/84/94/59/1021849459.db2.gz AIJHSCWDFJPVCA-NHCUHLMSSA-N 1 0 399.535 3.843 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C1 ZINC001140509890 1021895754 /nfs/dbraw/zinc/89/57/54/1021895754.db2.gz UDHQVHQWZPDRDH-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CCN(Cc4cc(F)cc(Cl)c4)C3)CC2=O)c1 ZINC001140538116 1021934443 /nfs/dbraw/zinc/93/44/43/1021934443.db2.gz GBADLCIBTTVQCU-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(O)c(C)c3)C[C@@H]2c2ccccc2)C1=O ZINC001140578199 1021997844 /nfs/dbraw/zinc/99/78/44/1021997844.db2.gz XXVACBPAMADNLB-QPPBQGQZSA-N 1 0 376.500 3.705 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3cc(C#N)ccc3Cl)C2)C1 ZINC001140600844 1022046053 /nfs/dbraw/zinc/04/60/53/1022046053.db2.gz XJFRAEUIXCHVFA-OAHLLOKOSA-N 1 0 375.900 3.900 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)c1 ZINC001140674975 1022231535 /nfs/dbraw/zinc/23/15/35/1022231535.db2.gz PRKLJCMRCHMWSO-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]12CCCN(Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140752808 1022434428 /nfs/dbraw/zinc/43/44/28/1022434428.db2.gz OOGAIBNRBQDVEQ-FQEVSTJZSA-N 1 0 377.435 3.812 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@@H]21 ZINC001140754324 1022438828 /nfs/dbraw/zinc/43/88/28/1022438828.db2.gz VLBJQOOOCNQTBA-DHJUGAMNSA-N 1 0 396.485 3.964 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000754200162 1022533736 /nfs/dbraw/zinc/53/37/36/1022533736.db2.gz IVPORZBCKGCHHF-CTNGQTDRSA-N 1 0 382.467 3.835 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000754269687 1022572716 /nfs/dbraw/zinc/57/27/16/1022572716.db2.gz MPDNREUCCLKGCD-UHFFFAOYSA-N 1 0 399.878 3.502 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(N4CCCC4)c(C#N)c3)cc2)CC1 ZINC001204751583 1033066201 /nfs/dbraw/zinc/06/62/01/1033066201.db2.gz WANRJKISILUMDJ-UHFFFAOYSA-N 1 0 375.520 3.649 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cccc(C#N)c4Cl)C3)CC2=O)c1 ZINC001140811511 1022600413 /nfs/dbraw/zinc/60/04/13/1022600413.db2.gz SVWYQYNOSRTVFN-QFIPXVFZSA-N 1 0 390.874 3.712 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)c1Cl ZINC001140813296 1022610265 /nfs/dbraw/zinc/61/02/65/1022610265.db2.gz CLGDURSETKGAJX-LJQANCHMSA-N 1 0 379.891 3.850 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(-c4ccccn4)s3)CC2)nc1 ZINC001141001917 1023144500 /nfs/dbraw/zinc/14/45/00/1023144500.db2.gz HACQPTWUWVDPAF-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO C#Cc1cccc(CNC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000836655998 1023215913 /nfs/dbraw/zinc/21/59/13/1023215913.db2.gz NOFQGFAWVVQPGM-QHCPKHFHSA-N 1 0 375.516 3.722 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755871583 1023411188 /nfs/dbraw/zinc/41/11/88/1023411188.db2.gz PVFQCVLHHKMKFJ-BBTUJRGHSA-N 1 0 378.472 3.779 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755876980 1023415567 /nfs/dbraw/zinc/41/55/67/1023415567.db2.gz ABGXMIHBLKCQDF-BBTUJRGHSA-N 1 0 378.472 3.779 20 30 GHEDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141107162 1023515352 /nfs/dbraw/zinc/51/53/52/1023515352.db2.gz RLSVJRBYHVHGBI-VXGBXAGGSA-N 1 0 398.960 3.981 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1)C(=O)OC(C)(C)C ZINC001141108919 1023521547 /nfs/dbraw/zinc/52/15/47/1023521547.db2.gz IWHTVVHRICSFSA-GFCCVEGCSA-N 1 0 398.960 3.934 20 30 GHEDRO COC(=O)c1cccc([C@@H]2CCCN2Cc2sc(N)c(C#N)c2Cl)c1 ZINC001141113147 1023529249 /nfs/dbraw/zinc/52/92/49/1023529249.db2.gz CEIRDWXIAHYZCQ-AWEZNQCLSA-N 1 0 375.881 3.979 20 30 GHEDRO N#Cc1c(N)sc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1Cl ZINC001141114610 1023531883 /nfs/dbraw/zinc/53/18/83/1023531883.db2.gz SXDBNWGXIBHSGJ-UHFFFAOYSA-N 1 0 378.904 3.702 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001141152103 1023977318 /nfs/dbraw/zinc/97/73/18/1023977318.db2.gz BFDHAGAGASLQBB-LJQANCHMSA-N 1 0 378.419 3.541 20 30 GHEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000837072668 1023991113 /nfs/dbraw/zinc/99/11/13/1023991113.db2.gz IOFGDJSQJUEOOP-VQTJNVASSA-N 1 0 379.589 3.576 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(F)cc3C#N)C[C@@H]21 ZINC001141164841 1023992785 /nfs/dbraw/zinc/99/27/85/1023992785.db2.gz KZJCRPYDSHGJFP-YFXJRYMSSA-N 1 0 378.495 3.825 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccc1OC)CC2 ZINC001141199363 1024112398 /nfs/dbraw/zinc/11/23/98/1024112398.db2.gz FRIZZQXHCAMLDZ-UHFFFAOYSA-N 1 0 398.425 3.934 20 30 GHEDRO C[C@@H](C#N)OCCN(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000831043126 1024327184 /nfs/dbraw/zinc/32/71/84/1024327184.db2.gz LMDQGRDTDGINSN-AWEZNQCLSA-N 1 0 392.272 3.914 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@H](Oc4ncc(F)cn4)C3)cc2)cc1 ZINC001141298425 1024443746 /nfs/dbraw/zinc/44/37/46/1024443746.db2.gz QLZMTEHWDQWSRH-NRFANRHFSA-N 1 0 390.418 3.933 20 30 GHEDRO N#C[C@]1(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCc2ccccc2C1 ZINC001138309663 1024614593 /nfs/dbraw/zinc/61/45/93/1024614593.db2.gz UWZNIYLFJJMEFC-NOZRDPDXSA-N 1 0 387.527 3.509 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)cc1OC ZINC001138345595 1024706349 /nfs/dbraw/zinc/70/63/49/1024706349.db2.gz KDNQGNRUTGRCRZ-UHFFFAOYSA-N 1 0 390.483 3.583 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)C[C@@H]2c2ccccc2)cc1OC ZINC001138346632 1024707661 /nfs/dbraw/zinc/70/76/61/1024707661.db2.gz KBAZNZKUICIBMC-LEWJYISDSA-N 1 0 393.483 3.834 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138346593 1024708211 /nfs/dbraw/zinc/70/82/11/1024708211.db2.gz IPLZSGORXNGPFB-GOTSBHOMSA-N 1 0 390.527 3.661 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)cc1OC ZINC001138347779 1024710666 /nfs/dbraw/zinc/71/06/66/1024710666.db2.gz DXUNGJADOBXPEP-SFHVURJKSA-N 1 0 388.508 3.586 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(n3cnc4ccccc43)CC2)cc1OC ZINC001138347318 1024710828 /nfs/dbraw/zinc/71/08/28/1024710828.db2.gz HNDLCSSOTNDKHX-UHFFFAOYSA-N 1 0 375.472 3.894 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(OC)c(F)c1)[C@H]2CC ZINC001138423824 1024817060 /nfs/dbraw/zinc/81/70/60/1024817060.db2.gz ZDSSVMMPEFUQLL-RXVVDRJESA-N 1 0 378.463 3.895 20 30 GHEDRO CCO[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C[NH+](C)C ZINC000831776971 1024853654 /nfs/dbraw/zinc/85/36/54/1024853654.db2.gz OHICDYFNNYSOPA-IBGZPJMESA-N 1 0 397.544 3.547 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138448108 1024869742 /nfs/dbraw/zinc/86/97/42/1024869742.db2.gz KPBOGXQGTMZEHF-GMAHTHKFSA-N 1 0 381.520 3.959 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-n3ccnc3C)cc1)C2 ZINC001138542586 1024984827 /nfs/dbraw/zinc/98/48/27/1024984827.db2.gz GCPFCBPWPCLUOZ-DHIUTWEWSA-N 1 0 381.520 3.754 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426671 1025009605 /nfs/dbraw/zinc/00/96/05/1025009605.db2.gz LSFLFDBDFMDERO-RTBURBONSA-N 1 0 384.442 3.983 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC001138559581 1025021177 /nfs/dbraw/zinc/02/11/77/1025021177.db2.gz WOGBRKLSXYRGHQ-VWLOTQADSA-N 1 0 386.495 3.599 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@H](C#N)CCc1ccccc1)C1CC1 ZINC001138594877 1025077171 /nfs/dbraw/zinc/07/71/71/1025077171.db2.gz BCMSKZUMRKVOLZ-GOTSBHOMSA-N 1 0 375.516 3.786 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1O ZINC001138625901 1025124218 /nfs/dbraw/zinc/12/42/18/1025124218.db2.gz WHFKRMKZMKKKIF-UHFFFAOYSA-N 1 0 388.309 3.600 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1O ZINC001138627205 1025126853 /nfs/dbraw/zinc/12/68/53/1025126853.db2.gz ZJTPAUPWMRGPRI-OAQYLSRUSA-N 1 0 380.488 3.718 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1O ZINC001138627514 1025127212 /nfs/dbraw/zinc/12/72/12/1025127212.db2.gz KPVWHZNBFMBIMH-NRFANRHFSA-N 1 0 376.500 3.759 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)c1O ZINC001138629008 1025130297 /nfs/dbraw/zinc/13/02/97/1025130297.db2.gz KQWJTRKWOARCGT-FKBYEOEOSA-N 1 0 391.515 3.662 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C(=O)NCCC)cc3)C2)c1O ZINC001138630695 1025134578 /nfs/dbraw/zinc/13/45/78/1025134578.db2.gz AWZYUTUQKDERSR-QFIPXVFZSA-N 1 0 394.515 3.914 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1O ZINC001138631018 1025134985 /nfs/dbraw/zinc/13/49/85/1025134985.db2.gz IFEYCMGRRCPXMP-UHFFFAOYSA-N 1 0 386.499 3.900 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001138647955 1025159904 /nfs/dbraw/zinc/15/99/04/1025159904.db2.gz LTWBKWBVVZLPAR-YADHBBJMSA-N 1 0 385.483 3.585 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC001138653040 1025166852 /nfs/dbraw/zinc/16/68/52/1025166852.db2.gz PLLJKSRNPUVSCP-NRFANRHFSA-N 1 0 376.435 3.926 20 30 GHEDRO C=C(C)COc1ccccc1CN1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001138662090 1025183012 /nfs/dbraw/zinc/18/30/12/1025183012.db2.gz OMODLEUPWIFBLM-FQEVSTJZSA-N 1 0 396.535 3.779 20 30 GHEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001138663760 1025185712 /nfs/dbraw/zinc/18/57/12/1025185712.db2.gz CIQUBFTZSVNUNX-MJGOQNOKSA-N 1 0 397.544 3.692 20 30 GHEDRO C#Cc1cccc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000838723365 1025323370 /nfs/dbraw/zinc/32/33/70/1025323370.db2.gz JKXSXNHAJHZOEA-UHFFFAOYSA-N 1 0 387.527 3.866 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnn1[C@H]1CCCCO1)[C@@H]2CC ZINC001138780299 1025352619 /nfs/dbraw/zinc/35/26/19/1025352619.db2.gz YQMOJCBMICVPIX-FCEUIQTBSA-N 1 0 386.540 3.504 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000838982155 1025499273 /nfs/dbraw/zinc/49/92/73/1025499273.db2.gz LEOFEYAPUSPACL-QGZVFWFLSA-N 1 0 388.468 3.592 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)cnc1Cl)CC2 ZINC001138889750 1025534546 /nfs/dbraw/zinc/53/45/46/1025534546.db2.gz AIWXNACPJPUAJC-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO N#CCc1cncc(NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC001162033096 1025552341 /nfs/dbraw/zinc/55/23/41/1025552341.db2.gz HJROPUPSNHGLOM-UHFFFAOYSA-N 1 0 375.398 3.638 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCC)c(OCC)c1)C2 ZINC001138974153 1025695813 /nfs/dbraw/zinc/69/58/13/1025695813.db2.gz LFIVKAVHBJDUGV-DENIHFKCSA-N 1 0 375.509 3.810 20 30 GHEDRO CCOc1cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)ccc1OC(C)=O ZINC001139008783 1025758621 /nfs/dbraw/zinc/75/86/21/1025758621.db2.gz DJSOMKZDSULDES-UHFFFAOYSA-N 1 0 394.471 3.926 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cn(C)c3ccc(OC)cc13)C2 ZINC001139147644 1025962004 /nfs/dbraw/zinc/96/20/04/1025962004.db2.gz ZZRIZMZXUFJHKJ-QHCPKHFHSA-N 1 0 381.520 3.720 20 30 GHEDRO Cn1ccc2c1cccc2C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001139160755 1025983305 /nfs/dbraw/zinc/98/33/05/1025983305.db2.gz OBWZJJRDGOPROE-DEOSSOPVSA-N 1 0 384.483 3.679 20 30 GHEDRO COC(OC)c1c(C#N)ccnc1N[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001163023557 1026009921 /nfs/dbraw/zinc/00/99/21/1026009921.db2.gz JEKDQCUDQGBIPO-LJQANCHMSA-N 1 0 392.503 3.731 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C(F)(F)F)C3)sc2C1 ZINC000839532825 1026023885 /nfs/dbraw/zinc/02/38/85/1026023885.db2.gz DASNDODAHJPFRH-RYUDHWBXSA-N 1 0 385.455 3.957 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(Nc3ccc([C@@H](C[NH3+])CO)cc3)c12 ZINC001163058545 1026029897 /nfs/dbraw/zinc/02/98/97/1026029897.db2.gz LUFRBBZWONFQGL-ZDUSSCGKSA-N 1 0 384.842 3.986 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc(Oc4ccccc4)nc3)C2)C1=O ZINC001139242325 1026091461 /nfs/dbraw/zinc/09/14/61/1026091461.db2.gz FOPNIOXDQTUXAC-QHCPKHFHSA-N 1 0 377.488 3.874 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839603584 1026104464 /nfs/dbraw/zinc/10/44/64/1026104464.db2.gz FQVRIQCYZVKNIC-LJQANCHMSA-N 1 0 387.524 3.654 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3[nH]c(-c4ccccc4)nc3Cl)C2)C1=O ZINC001139281774 1026133544 /nfs/dbraw/zinc/13/35/44/1026133544.db2.gz ONDKPYMLHKHLQO-OAQYLSRUSA-N 1 0 384.911 3.731 20 30 GHEDRO N#CC1(c2ccc(NC3CC[NH+](C[C@H]4CC=CCC4)CC3)nc2)CCOCC1 ZINC001163320024 1026143059 /nfs/dbraw/zinc/14/30/59/1026143059.db2.gz NJFPPFHXUYLSBI-IBGZPJMESA-N 1 0 380.536 3.886 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)s3)C2)cc1 ZINC001139294333 1026146694 /nfs/dbraw/zinc/14/66/94/1026146694.db2.gz BKHOJBNQBWJGJC-FQEVSTJZSA-N 1 0 397.544 3.624 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)s3)C2)c1 ZINC001139296119 1026148893 /nfs/dbraw/zinc/14/88/93/1026148893.db2.gz HLMNPWWACKWEIJ-HXUWFJFHSA-N 1 0 397.544 3.624 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 ZINC000839662817 1026182053 /nfs/dbraw/zinc/18/20/53/1026182053.db2.gz KNRYGKXGKKPLKM-IBGZPJMESA-N 1 0 393.572 3.617 20 30 GHEDRO C#CC[N@@H+](C)CCCNc1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001163412393 1026186518 /nfs/dbraw/zinc/18/65/18/1026186518.db2.gz LHJXJUNGWOBHJG-UHFFFAOYSA-N 1 0 393.560 3.787 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1ccc2ncc(Cl)nc2c1 ZINC001163467019 1026205557 /nfs/dbraw/zinc/20/55/57/1026205557.db2.gz YIFDKUSJJMPCOD-UHFFFAOYSA-N 1 0 389.837 3.999 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001163473672 1026207157 /nfs/dbraw/zinc/20/71/57/1026207157.db2.gz URNIGVLNLGLREQ-UHFFFAOYSA-N 1 0 388.249 3.586 20 30 GHEDRO COc1ccc(OC)c(-c2ccc(NC(C)=NCc3cccc(C[NH3+])c3)nn2)c1 ZINC001163474056 1026207171 /nfs/dbraw/zinc/20/71/71/1026207171.db2.gz ZJJFXDPQPCDDNH-UHFFFAOYSA-N 1 0 391.475 3.650 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001163471940 1026207209 /nfs/dbraw/zinc/20/72/09/1026207209.db2.gz ONBOQCISJRSQJN-UHFFFAOYSA-N 1 0 389.837 3.999 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)nc3)C2)cc1 ZINC001139346761 1026214309 /nfs/dbraw/zinc/21/43/09/1026214309.db2.gz UGASPDJXHCMGNH-QFIPXVFZSA-N 1 0 376.504 3.987 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(-c3cnccn3)cc1)CCO2 ZINC001139388810 1026254409 /nfs/dbraw/zinc/25/44/09/1026254409.db2.gz GZUYBUZXNDPHAR-FYYLOGMGSA-N 1 0 379.504 3.717 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001139392222 1026261018 /nfs/dbraw/zinc/26/10/18/1026261018.db2.gz CVRZXMKHIMNLCJ-XZOQPEGZSA-N 1 0 379.504 3.717 20 30 GHEDRO C[N@@H+]1CCN(c2ccc(C#N)c(Br)c2F)[C@@H](Cc2ccccc2)C1 ZINC001163661999 1026271200 /nfs/dbraw/zinc/27/12/00/1026271200.db2.gz DPBODGQYOZUSOX-INIZCTEOSA-N 1 0 388.284 3.823 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3C[C@H]4CN(Cc5cccnc5)C[C@@H]4C3)cc2)c1 ZINC001139402439 1026273774 /nfs/dbraw/zinc/27/37/74/1026273774.db2.gz RLJLZBJEZBLKTA-ZEQRLZLVSA-N 1 0 395.510 3.579 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCC(NC(=O)C4CCCC4)CC3)cc2)c1 ZINC001139405731 1026277129 /nfs/dbraw/zinc/27/71/29/1026277129.db2.gz AAFQMQIGXZQACA-UHFFFAOYSA-N 1 0 388.515 3.891 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)cc2)c1 ZINC001139405550 1026277917 /nfs/dbraw/zinc/27/79/17/1026277917.db2.gz UEQCNLZIADJROY-UHFFFAOYSA-N 1 0 389.890 3.991 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(C#N)CCSCC2)C1 ZINC001141702480 1026286657 /nfs/dbraw/zinc/28/66/57/1026286657.db2.gz RENYUWOFUBCZBT-QZTJIDSGSA-N 1 0 385.577 3.818 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)cn2)cc1 ZINC001139425584 1026296365 /nfs/dbraw/zinc/29/63/65/1026296365.db2.gz RSQUULBYFFNYQO-FQEVSTJZSA-N 1 0 390.487 3.580 20 30 GHEDRO Cc1cc(F)c(C#N)c(N2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC001163787454 1026315434 /nfs/dbraw/zinc/31/54/34/1026315434.db2.gz DQDZMUUYDVCABK-IBGZPJMESA-N 1 0 382.483 3.899 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1C(C)(C)C ZINC001163929815 1026365220 /nfs/dbraw/zinc/36/52/20/1026365220.db2.gz NMOKHKIHLODRQQ-JOCHJYFZSA-N 1 0 391.515 3.940 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001461105724 1069392507 /nfs/dbraw/zinc/39/25/07/1069392507.db2.gz OGNJCXAGZLRIQD-ZCYQVOJMSA-N 1 0 387.527 3.986 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccnc(Cl)c3F)C[C@@H]2c2ccccc2)C1=O ZINC001139662272 1026521455 /nfs/dbraw/zinc/52/14/55/1026521455.db2.gz VFHPCSGXWCZZNG-GCJKJVERSA-N 1 0 399.897 3.878 20 30 GHEDRO Cc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)ccc1N(C)C ZINC001139673860 1026528640 /nfs/dbraw/zinc/52/86/40/1026528640.db2.gz LPTVLMUUHIZJJE-UHFFFAOYSA-N 1 0 391.519 3.719 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001139688672 1026539634 /nfs/dbraw/zinc/53/96/34/1026539634.db2.gz BDQSNZBTRPVFIK-STZQEDGTSA-N 1 0 397.906 3.945 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CN(c5cccc(F)c5)C4=O)CC3)c[nH]c21 ZINC001139705050 1026549775 /nfs/dbraw/zinc/54/97/75/1026549775.db2.gz KRTOJNSRIDRYAF-UHFFFAOYSA-N 1 0 388.446 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)CC[C@H]21 ZINC001139704780 1026549848 /nfs/dbraw/zinc/54/98/48/1026549848.db2.gz XTFPEKKOQMBZBK-VQIMIIECSA-N 1 0 380.492 3.871 20 30 GHEDRO CCOC(=O)c1coc(C2CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)n1 ZINC001139707389 1026551997 /nfs/dbraw/zinc/55/19/97/1026551997.db2.gz ZBBIQDJQZQFAGN-UHFFFAOYSA-N 1 0 378.432 3.584 20 30 GHEDRO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)c21 ZINC001139723927 1026568021 /nfs/dbraw/zinc/56/80/21/1026568021.db2.gz RXXDIXCHURFYAO-IBGZPJMESA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCn1cc(C[N@@H+](C)[C@H]([C@@H](CC(=O)OC(C)(C)C)OC)[C@@H](C)CC)cn1 ZINC001139770797 1026605952 /nfs/dbraw/zinc/60/59/52/1026605952.db2.gz BFZNKLFNZMZSPN-HQRMLTQVSA-N 1 0 379.545 3.662 20 30 GHEDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001165109329 1026611825 /nfs/dbraw/zinc/61/18/25/1026611825.db2.gz UAJODVYZJOAOGD-NRFANRHFSA-N 1 0 394.494 3.839 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC001139865883 1026679441 /nfs/dbraw/zinc/67/94/41/1026679441.db2.gz VQPVEKFFMDUFMN-UHFFFAOYSA-N 1 0 394.441 3.779 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165260163 1026681142 /nfs/dbraw/zinc/68/11/42/1026681142.db2.gz FCDKGFSQBMWIQV-KRWDZBQOSA-N 1 0 389.616 3.746 20 30 GHEDRO N#Cc1nc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001165479238 1026740816 /nfs/dbraw/zinc/74/08/16/1026740816.db2.gz LORIUPQXYXDLQX-JXFKEZNVSA-N 1 0 386.858 3.795 20 30 GHEDRO CCc1nn(CCC[NH+]2CCC(Cc3ccccc3)CC2)c(=O)c(C#N)c1CC ZINC001165655598 1026786604 /nfs/dbraw/zinc/78/66/04/1026786604.db2.gz DBXOEVQWPDSWLO-UHFFFAOYSA-N 1 0 392.547 3.585 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc5ccccc5cn4)C3)CC2=O)c1 ZINC001139998590 1026789080 /nfs/dbraw/zinc/78/90/80/1026789080.db2.gz ZSDODDWQJOKUJV-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO Cc1nc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(C#N)c(C)c1Cl ZINC001165672557 1026792932 /nfs/dbraw/zinc/79/29/32/1026792932.db2.gz UCDPQMPLBJEYQR-HNNXBMFYSA-N 1 0 376.932 3.740 20 30 GHEDRO Cc1cccc(N(c2nc(Cl)cc(C)c2C#N)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165771480 1026829931 /nfs/dbraw/zinc/82/99/31/1026829931.db2.gz LPEWLAGESHFZQG-UWJYYQICSA-N 1 0 382.895 3.883 20 30 GHEDRO N#Cc1ccc2ccnc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)c2c1 ZINC001165820844 1026845071 /nfs/dbraw/zinc/84/50/71/1026845071.db2.gz FIVITBBSJPTPFW-UHFFFAOYSA-N 1 0 383.430 3.786 20 30 GHEDRO N#Cc1ccc2[nH]cc(CN3CCCn4cnc(COCC5CC5)c4C3)c2c1 ZINC001140112718 1026893547 /nfs/dbraw/zinc/89/35/47/1026893547.db2.gz DYCZVOGXCQVLLW-UHFFFAOYSA-N 1 0 375.476 3.569 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c2c1 ZINC001140114156 1026896327 /nfs/dbraw/zinc/89/63/27/1026896327.db2.gz QRUJOMYXHVPBDQ-NZQKXSOJSA-N 1 0 388.471 3.637 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)c2c1 ZINC001140116842 1026898646 /nfs/dbraw/zinc/89/86/46/1026898646.db2.gz HYKXWRGFTDOWIM-UHFFFAOYSA-N 1 0 394.482 3.819 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)c1 ZINC001140136620 1026909584 /nfs/dbraw/zinc/90/95/84/1026909584.db2.gz IFQIPRSGULZWJN-IFMALSPDSA-N 1 0 381.451 3.542 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)c(F)c1 ZINC001140136847 1026910403 /nfs/dbraw/zinc/91/04/03/1026910403.db2.gz PRKKAWLYWQTFEG-OAQYLSRUSA-N 1 0 383.492 3.887 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001140137782 1026912302 /nfs/dbraw/zinc/91/23/02/1026912302.db2.gz YZBVSJRXBXUKEK-QHCPKHFHSA-N 1 0 377.463 3.844 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)C(=O)/C=C\c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001140217481 1026994360 /nfs/dbraw/zinc/99/43/60/1026994360.db2.gz MUEZKGWEDSTXLB-OMLDUKLJSA-N 1 0 388.870 3.523 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1-n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001166701083 1027061200 /nfs/dbraw/zinc/06/12/00/1027061200.db2.gz BVAQJZKTXIUALL-LBPRGKRZSA-N 1 0 385.258 3.503 20 30 GHEDRO CC(C)n1cc(C2=CCC[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC2)nn1 ZINC000840119738 1027236516 /nfs/dbraw/zinc/23/65/16/1027236516.db2.gz UFAFQRZUALMCMR-UHFFFAOYSA-N 1 0 387.491 3.731 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)CN(C)C(=O)OC(C)(C)C ZINC001461219870 1069447708 /nfs/dbraw/zinc/44/77/08/1069447708.db2.gz WNFQIDVJZGVOLJ-ZDUSSCGKSA-N 1 0 396.329 3.913 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC001203665880 1027519376 /nfs/dbraw/zinc/51/93/76/1027519376.db2.gz ZEAISQUHONADEM-UHFFFAOYSA-N 1 0 384.867 3.703 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001203762356 1027583647 /nfs/dbraw/zinc/58/36/47/1027583647.db2.gz OVSPNNMGAJFDHM-HSZRJFAPSA-N 1 0 377.463 3.712 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC001203760864 1027583762 /nfs/dbraw/zinc/58/37/62/1027583762.db2.gz PWXNFEIHGKMVLM-GOTSBHOMSA-N 1 0 377.488 3.541 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001461267395 1069471565 /nfs/dbraw/zinc/47/15/65/1069471565.db2.gz GRASXFXIMWHRER-RCCFBDPRSA-N 1 0 377.488 3.690 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)cc1 ZINC001203902883 1027696577 /nfs/dbraw/zinc/69/65/77/1027696577.db2.gz MZQAUIHQBFLQTQ-ISKFKSNPSA-N 1 0 389.499 3.502 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccc(C#N)cc2)CC3)cs1 ZINC001203903222 1027696688 /nfs/dbraw/zinc/69/66/88/1027696688.db2.gz AUCHGYNKVNJGPU-HXUWFJFHSA-N 1 0 383.517 3.664 20 30 GHEDRO CSc1nc(CN2CCC([N@H+](C)Cc3cccc(F)c3)CC2)ccc1C#N ZINC001141943758 1027721355 /nfs/dbraw/zinc/72/13/55/1027721355.db2.gz JEFHSLCWMFCCCJ-UHFFFAOYSA-N 1 0 384.524 3.911 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC(C)=O)cc1)CC2 ZINC001203945287 1027740104 /nfs/dbraw/zinc/74/01/04/1027740104.db2.gz CGDCQHRFLXGIDJ-UHFFFAOYSA-N 1 0 386.492 3.613 20 30 GHEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972312 1027780501 /nfs/dbraw/zinc/78/05/01/1027780501.db2.gz GMMYFMNXGSSJHE-HXUWFJFHSA-N 1 0 390.556 3.538 20 30 GHEDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001141972304 1027781326 /nfs/dbraw/zinc/78/13/26/1027781326.db2.gz GDJRSRZXSINVAL-FYYLOGMGSA-N 1 0 395.524 3.692 20 30 GHEDRO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CCN(CCC(F)(F)F)C2=O)C1 ZINC001276437305 1027837237 /nfs/dbraw/zinc/83/72/37/1027837237.db2.gz ONSVTSPPCGODGV-QGZVFWFLSA-N 1 0 385.817 3.588 20 30 GHEDRO CC[C@@H](CNC(=O)N(C)CCc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC001211269071 1027875963 /nfs/dbraw/zinc/87/59/63/1027875963.db2.gz MOWPXECYWCLRGI-QHCPKHFHSA-N 1 0 390.531 3.579 20 30 GHEDRO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000840873944 1027911238 /nfs/dbraw/zinc/91/12/38/1027911238.db2.gz DYECQNTYJDGBFG-ZFJSRUIDSA-N 1 0 393.531 3.777 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000841087659 1028111079 /nfs/dbraw/zinc/11/10/79/1028111079.db2.gz UXDALEYQVXKYJH-WBMJQRKESA-N 1 0 390.365 3.731 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)C[C@H]2CCOC2)cc1OC ZINC001461335479 1069505472 /nfs/dbraw/zinc/50/54/72/1069505472.db2.gz ZMHZAQYZXGQZMS-ZIAGYGMSSA-N 1 0 384.314 3.927 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1-c1ccc(Br)cc1 ZINC000841203883 1028275585 /nfs/dbraw/zinc/27/55/85/1028275585.db2.gz VGKIDEIMVARUGE-RDTXWAMCSA-N 1 0 399.292 3.658 20 30 GHEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCCO1 ZINC001214238339 1028613729 /nfs/dbraw/zinc/61/37/29/1028613729.db2.gz NQVMRSUJJSOFOC-FQEVSTJZSA-N 1 0 391.515 3.709 20 30 GHEDRO C[NH+]1CCN(c2ccncc2-c2nc(-c3ccc(C#N)c4ccccc34)no2)CC1 ZINC001214673542 1028852291 /nfs/dbraw/zinc/85/22/91/1028852291.db2.gz DSHPHHDFTFYNIE-UHFFFAOYSA-N 1 0 396.454 3.575 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000841818477 1028965687 /nfs/dbraw/zinc/96/56/87/1028965687.db2.gz SLPMKTXUDNLRAU-RBBKRZOGSA-N 1 0 394.519 3.990 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC001215509225 1029247162 /nfs/dbraw/zinc/24/71/62/1029247162.db2.gz ZPQUBDQQMXINAT-HXUWFJFHSA-N 1 0 397.494 3.912 20 30 GHEDRO C#CC[C@@H]1CCCN(Cn2nc([C@H](CC)[NH+](C)C)n(CCCC)c2=S)C1 ZINC000842627302 1029429066 /nfs/dbraw/zinc/42/90/66/1029429066.db2.gz FVHPVKXWHBDAKP-MSOLQXFVSA-N 1 0 377.602 3.920 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C[C@H]2C1 ZINC000842676729 1029482887 /nfs/dbraw/zinc/48/28/87/1029482887.db2.gz JOWRQNGNPOWTPW-FHWLQOOXSA-N 1 0 385.508 3.714 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCCCC[NH3+])cc1 ZINC000843037373 1029778100 /nfs/dbraw/zinc/77/81/00/1029778100.db2.gz CHMDRGZDQQHKCY-UHFFFAOYSA-N 1 0 382.464 4.000 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(OC)cc(C)cc3OC)C2)C1 ZINC001143132735 1029861185 /nfs/dbraw/zinc/86/11/85/1029861185.db2.gz ISOBXIDTTNKFBQ-QFIPXVFZSA-N 1 0 388.508 3.623 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC001221967288 1029910831 /nfs/dbraw/zinc/91/08/31/1029910831.db2.gz AKRCAYQTNAGELU-MRXNPFEDSA-N 1 0 382.533 3.600 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4ccc(C#N)cc4Cl)n3)c2)CC1 ZINC001216954906 1030027213 /nfs/dbraw/zinc/02/72/13/1030027213.db2.gz RYRGWWYECCAXSQ-UHFFFAOYSA-N 1 0 393.878 3.676 20 30 GHEDRO Cn1ccc2cc(C(=O)N(Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)ccc21 ZINC001149242791 1030104086 /nfs/dbraw/zinc/10/40/86/1030104086.db2.gz ULLWAYCCODEYAV-HZCBDIJESA-N 1 0 386.499 3.962 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cccc4c3OC(F)(F)O4)CC2)cc1 ZINC001461648756 1069657693 /nfs/dbraw/zinc/65/76/93/1069657693.db2.gz NEWOMHLAIIAIHM-UHFFFAOYSA-N 1 0 399.441 3.676 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nnc([C@H]3C[C@H]3c3ccc(Cl)cc3)o2)cc1 ZINC001217711664 1030621942 /nfs/dbraw/zinc/62/19/42/1030621942.db2.gz PYYFDSXNVLMTKS-FHWLQOOXSA-N 1 0 378.863 3.978 20 30 GHEDRO C#CCN1CCC[C@@H](NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001223623732 1030667372 /nfs/dbraw/zinc/66/73/72/1030667372.db2.gz LYKRDKMVFLPDQD-RTWAWAEBSA-N 1 0 381.907 3.826 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CCC[NH2+]C[C@@H]2C)c1 ZINC001217990061 1030708615 /nfs/dbraw/zinc/70/86/15/1030708615.db2.gz OAGFNEOLLKFSPI-GAJFLVONSA-N 1 0 397.471 3.769 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[NH2+]CC[C@@H]2F)c1 ZINC001218020655 1030727128 /nfs/dbraw/zinc/72/71/28/1030727128.db2.gz CGCSEZJLDIAOMG-VQTJNVASSA-N 1 0 397.446 3.868 20 30 GHEDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001218029572 1030732883 /nfs/dbraw/zinc/73/28/83/1030732883.db2.gz LRYLPFWXEZBPDP-PMHQQPIMSA-N 1 0 379.504 3.697 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001223765493 1030742982 /nfs/dbraw/zinc/74/29/82/1030742982.db2.gz MRVUGTCCNHHOAR-VGOFRKELSA-N 1 0 378.472 3.772 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1COC1CC[NH+](CCc2ccccc2)CC1 ZINC001223764927 1030743222 /nfs/dbraw/zinc/74/32/22/1030743222.db2.gz CFHWGEFBJYQASG-UHFFFAOYSA-N 1 0 378.472 3.569 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001218052589 1030743324 /nfs/dbraw/zinc/74/33/24/1030743324.db2.gz LGPFPOMLLVQGLW-QFBILLFUSA-N 1 0 379.456 3.918 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001223764692 1030743489 /nfs/dbraw/zinc/74/34/89/1030743489.db2.gz PDFCGQSRJGMMAU-JTSKRJEESA-N 1 0 378.472 3.772 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3CC[NH2+][C@@H](C)C3)cc2)cc1 ZINC001218054945 1030746441 /nfs/dbraw/zinc/74/64/41/1030746441.db2.gz DKPCERHUTJSFET-LPHOPBHVSA-N 1 0 387.501 3.604 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001461703396 1069689567 /nfs/dbraw/zinc/68/95/67/1069689567.db2.gz JJJPFPALPGCSET-IBGZPJMESA-N 1 0 381.273 3.590 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218095773 1030769102 /nfs/dbraw/zinc/76/91/02/1030769102.db2.gz PAIBRJCOGGFKDR-HIPQDABWSA-N 1 0 379.456 3.905 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001151350753 1030872298 /nfs/dbraw/zinc/87/22/98/1030872298.db2.gz MOGPIRUWOFYRFY-QFIPXVFZSA-N 1 0 379.504 3.842 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(O[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218309273 1030884385 /nfs/dbraw/zinc/88/43/85/1030884385.db2.gz PEZVBSCIJBSEJQ-SJJOQSKNSA-N 1 0 393.439 3.768 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)c2)cc1OC ZINC001218330076 1030897125 /nfs/dbraw/zinc/89/71/25/1030897125.db2.gz JZBITHZWTHHRQO-BMWHYRTDSA-N 1 0 379.456 3.587 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc(/C=C/C(=O)CCCCc2ccc(O)cc2)cc1 ZINC001218409920 1030927505 /nfs/dbraw/zinc/92/75/05/1030927505.db2.gz JSSFAPJHBWGHLW-SNXYQTPASA-N 1 0 390.483 3.878 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3C[NH2+]CCC3(F)F)c3ccccc23)ccc1F ZINC001218453718 1030942067 /nfs/dbraw/zinc/94/20/67/1030942067.db2.gz LABATGFIVZQCQL-LJQANCHMSA-N 1 0 398.388 3.607 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(Br)cnc1Br ZINC001218451550 1030942128 /nfs/dbraw/zinc/94/21/28/1030942128.db2.gz FQPUBOCLIRLWHP-GHMZBOCLSA-N 1 0 376.092 3.682 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c2c(oc1[C@@H]1COC(C)(C)O1)OC(C)(C)O2 ZINC001218452062 1030942378 /nfs/dbraw/zinc/94/23/78/1030942378.db2.gz QNOLZHOWCIYJDC-MCIONIFRSA-N 1 0 379.453 3.686 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(-c2cc(Cl)ccc2F)nc2nccnc21 ZINC001218455751 1030943616 /nfs/dbraw/zinc/94/36/16/1030943616.db2.gz OGDVDOFEBNJILS-HZPDHXFCSA-N 1 0 399.857 3.955 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC001224253403 1030943827 /nfs/dbraw/zinc/94/38/27/1030943827.db2.gz KMVCIFFVGJTDKJ-IEBWSBKVSA-N 1 0 393.453 3.738 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)c3ccccc23)ccc1F ZINC001218469360 1030950142 /nfs/dbraw/zinc/95/01/42/1030950142.db2.gz VHAUWBMGBBZMRW-QOEFQVSFSA-N 1 0 388.446 3.608 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)cc(C)c2O)C1=O ZINC001276964387 1030970009 /nfs/dbraw/zinc/97/00/09/1030970009.db2.gz APYFHYAHVGHDCF-LJQANCHMSA-N 1 0 393.325 3.606 20 30 GHEDRO N#Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218552519 1030984207 /nfs/dbraw/zinc/98/42/07/1030984207.db2.gz FAKDWIPTNFBSPE-UUOWRZLLSA-N 1 0 399.450 3.660 20 30 GHEDRO Cc1cccc2c1C1(C[C@H]2CC(=O)Nc2n[nH]c3cccc(C#N)c32)CC[NH2+]CC1 ZINC001218656776 1031021241 /nfs/dbraw/zinc/02/12/41/1031021241.db2.gz NCJLPSQWEQWLFX-QGZVFWFLSA-N 1 0 399.498 3.880 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)[C@H]3[NH2+]CCC[C@H]3C(F)(F)F)n2)s1 ZINC001218787845 1031079920 /nfs/dbraw/zinc/07/99/20/1031079920.db2.gz LKGSWCBYEYXSAU-SKDRFNHKSA-N 1 0 386.424 3.612 20 30 GHEDRO N#Cc1ccc(NC(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)c(OC(F)(F)F)c1 ZINC001218840150 1031107037 /nfs/dbraw/zinc/10/70/37/1031107037.db2.gz NSPLRRQYVROWQO-LBPRGKRZSA-N 1 0 399.319 3.634 20 30 GHEDRO CCOC(=O)[C@@H](C#C[Si](C)(C)C)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224825989 1031139182 /nfs/dbraw/zinc/13/91/82/1031139182.db2.gz NIJIYTFQDMKYFJ-NHCUHLMSSA-N 1 0 387.596 3.728 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCCCOc3cccc(C#N)c3)C2)cc1 ZINC001152411300 1031224938 /nfs/dbraw/zinc/22/49/38/1031224938.db2.gz OBAGDGCFAZXKSM-QFIPXVFZSA-N 1 0 391.515 3.807 20 30 GHEDRO N#Cc1sc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)nc1Cl ZINC001219069214 1031238644 /nfs/dbraw/zinc/23/86/44/1031238644.db2.gz CSGJNBRXSXFBGP-UHFFFAOYSA-N 1 0 381.933 3.836 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(Br)sc2Br)CCOCC1 ZINC001461767679 1069734076 /nfs/dbraw/zinc/73/40/76/1069734076.db2.gz PEPGRTWWGRZYIF-UHFFFAOYSA-N 1 0 393.144 3.935 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)c1ccc2c(n1)CC[NH2+]C2 ZINC001219483087 1031450669 /nfs/dbraw/zinc/45/06/69/1031450669.db2.gz PLOFDUWCYIJLRW-UHFFFAOYSA-N 1 0 383.955 3.862 20 30 GHEDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)O2)CO1 ZINC001461773520 1069738896 /nfs/dbraw/zinc/73/88/96/1069738896.db2.gz FLNHPDIFQWAMQB-DQMJNTIXSA-N 1 0 392.499 3.953 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768554 1031607284 /nfs/dbraw/zinc/60/72/84/1031607284.db2.gz NNSQHQFIIHCSMJ-NRFANRHFSA-N 1 0 385.568 3.574 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c(C)cccc3Br)CC2)C1=O ZINC001276809279 1031711415 /nfs/dbraw/zinc/71/14/15/1031711415.db2.gz CGZBVUJNZWZVAU-FQEVSTJZSA-N 1 0 389.337 3.595 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)NCCSc2cc(C(F)(F)F)nc3ccccc32)C1 ZINC001220081555 1031774940 /nfs/dbraw/zinc/77/49/40/1031774940.db2.gz JJZZTELBBWGTRL-SFHVURJKSA-N 1 0 395.450 3.770 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)cc2n1 ZINC001220157740 1031806801 /nfs/dbraw/zinc/80/68/01/1031806801.db2.gz UHELPHQHABONSF-KRWDZBQOSA-N 1 0 389.503 3.791 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(Cl)cccc3SC)C2)C1=O ZINC001277107946 1031851331 /nfs/dbraw/zinc/85/13/31/1031851331.db2.gz RDZWNIPQWXDCGE-HXUWFJFHSA-N 1 0 392.952 3.979 20 30 GHEDRO CCO[C@@H](CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C[NH+](C)C ZINC001205359259 1033375244 /nfs/dbraw/zinc/37/52/44/1033375244.db2.gz KBUITQCQSMVCOB-SFHVURJKSA-N 1 0 398.532 3.798 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)nc3)C2)C1 ZINC001205359080 1033376010 /nfs/dbraw/zinc/37/60/10/1033376010.db2.gz NQSGBULJCHGAGF-GOSISDBHSA-N 1 0 383.414 3.711 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1nc(C(Cl)(Cl)Cl)nc2ccccc21 ZINC001229290601 1033393483 /nfs/dbraw/zinc/39/34/83/1033393483.db2.gz XZFIVCHRPGWBMR-LLVKDONJSA-N 1 0 388.706 3.824 20 30 GHEDRO C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC001229307420 1033408659 /nfs/dbraw/zinc/40/86/59/1033408659.db2.gz WPYUYABSGIPPHA-FQEVSTJZSA-N 1 0 388.508 3.765 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1=O ZINC001205473379 1033428040 /nfs/dbraw/zinc/42/80/40/1033428040.db2.gz XGMWVGBOOIYEIZ-FQEVSTJZSA-N 1 0 377.463 3.535 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001205473375 1033428629 /nfs/dbraw/zinc/42/86/29/1033428629.db2.gz XBISZFKIYFLEMQ-OFNKIYASSA-N 1 0 377.463 3.535 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001157172164 1033446540 /nfs/dbraw/zinc/44/65/40/1033446540.db2.gz XUBCTPOWXYCLTB-UHFFFAOYSA-N 1 0 386.499 3.724 20 30 GHEDRO CC[NH+](CC)C[C@H](C)Oc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001229587336 1033575651 /nfs/dbraw/zinc/57/56/51/1033575651.db2.gz WALGUSAAVITAMS-WGPYJDKQSA-N 1 0 385.460 3.809 20 30 GHEDRO Cc1cnc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c(C#N)c1 ZINC001157667016 1033711673 /nfs/dbraw/zinc/71/16/73/1033711673.db2.gz DRTFKPKMCZWNBW-UHFFFAOYSA-N 1 0 390.531 3.912 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(Br)ccc2N(C)C)no1 ZINC001206099731 1033719206 /nfs/dbraw/zinc/71/92/06/1033719206.db2.gz BRTZUHNRGUKWSA-UHFFFAOYSA-N 1 0 377.286 3.674 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC001157764815 1033759159 /nfs/dbraw/zinc/75/91/59/1033759159.db2.gz GWYYHBZTRUMPNL-IBGZPJMESA-N 1 0 393.853 3.959 20 30 GHEDRO C[C@@H]1CN(Cc2cc(Oc3ccc(C#N)cc3)ccc2Br)CC[NH2+]1 ZINC001206396696 1033826400 /nfs/dbraw/zinc/82/64/00/1033826400.db2.gz OGLDLVZBTBCCNR-CQSZACIVSA-N 1 0 386.293 3.907 20 30 GHEDRO COc1cccc(N(c2nc3c(cc2C#N)CCCC3(C)C)C2CC[NH2+]CC2)n1 ZINC001158060618 1033896241 /nfs/dbraw/zinc/89/62/41/1033896241.db2.gz PWHYUQMIBSKAPS-UHFFFAOYSA-N 1 0 391.519 3.861 20 30 GHEDRO N#Cc1cnc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC001158087126 1033907024 /nfs/dbraw/zinc/90/70/24/1033907024.db2.gz FSOQSGDUYDRDTM-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO C[N@@H+](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001206578285 1033914081 /nfs/dbraw/zinc/91/40/81/1033914081.db2.gz UHIQKUFTSJBXRS-NRFANRHFSA-N 1 0 395.503 3.748 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158167347 1033949002 /nfs/dbraw/zinc/94/90/02/1033949002.db2.gz LFLDTABABIDLSJ-WKILWMFISA-N 1 0 391.853 3.823 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1)C1CCOCC1 ZINC001206728794 1033960413 /nfs/dbraw/zinc/96/04/13/1033960413.db2.gz WNGMMAWIXDJTJT-ZRNYENFQSA-N 1 0 376.541 3.573 20 30 GHEDRO CCCc1cc(C#N)c(N(c2ccnc(OC)c2)C2CC[NH2+]CC2)nc1Cl ZINC001158331277 1034026981 /nfs/dbraw/zinc/02/69/81/1034026981.db2.gz KFSPIWATHNJOJK-UHFFFAOYSA-N 1 0 385.899 3.853 20 30 GHEDRO COc1cc(N(c2nc(C#N)c(Cl)cc2Cl)C2CC[NH2+]CC2)ccn1 ZINC001158334468 1034027629 /nfs/dbraw/zinc/02/76/29/1034027629.db2.gz XSYHTDNBKHPNDN-UHFFFAOYSA-N 1 0 378.263 3.554 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001461885120 1069834711 /nfs/dbraw/zinc/83/47/11/1069834711.db2.gz TUZCMZZPGLEFRZ-UHFFFAOYSA-N 1 0 386.540 3.892 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccc(Cl)cc1F ZINC001230510802 1034096281 /nfs/dbraw/zinc/09/62/81/1034096281.db2.gz MSMCXWZMKSNRQR-GJYPPUQNSA-N 1 0 377.891 3.810 20 30 GHEDRO C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3ccc4[nH]c(N)[nH+]c4c3)[C@@H]12 ZINC001230516814 1034098660 /nfs/dbraw/zinc/09/86/60/1034098660.db2.gz UXWCBXCZEUDZSF-SXTKRDDTSA-N 1 0 379.460 3.901 20 30 GHEDRO C=CCN(CCN1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207202079 1034169960 /nfs/dbraw/zinc/16/99/60/1034169960.db2.gz LLWHLGBSVLPJQG-QZTJIDSGSA-N 1 0 391.581 3.535 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001207215819 1034183567 /nfs/dbraw/zinc/18/35/67/1034183567.db2.gz CMGXDXSYPVDBCI-QGZVFWFLSA-N 1 0 387.499 3.940 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCCc3ccc(C[NH3+])nc32)cc1F ZINC001158652266 1034215812 /nfs/dbraw/zinc/21/58/12/1034215812.db2.gz LXXQZBNQEANPLA-UHFFFAOYSA-N 1 0 394.841 3.746 20 30 GHEDRO CCOC(=O)[C@H](C)Oc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001230891664 1034274599 /nfs/dbraw/zinc/27/45/99/1034274599.db2.gz UFRKTVWNQBBRDN-JTSKRJEESA-N 1 0 394.471 3.542 20 30 GHEDRO N#Cc1cc(Cl)cnc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001158813412 1034282325 /nfs/dbraw/zinc/28/23/25/1034282325.db2.gz FUVSLMMDDZOLLW-UHFFFAOYSA-N 1 0 386.858 3.531 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CCc1c(Cl)nc(C)nc1Cl)CC2 ZINC001207335872 1034286363 /nfs/dbraw/zinc/28/63/63/1034286363.db2.gz JYHDQMMSRRLECD-LJQANCHMSA-N 1 0 397.350 3.667 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1ccc(Br)cc1)C2 ZINC001207382318 1034327274 /nfs/dbraw/zinc/32/72/74/1034327274.db2.gz JCNBDRXNCNPLMR-RTBURBONSA-N 1 0 380.326 3.818 20 30 GHEDRO COC(=O)C[C@H](C#N)c1ccc(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)cc1 ZINC001230992559 1034330548 /nfs/dbraw/zinc/33/05/48/1034330548.db2.gz ANFVBROOBDITLN-YFVAEKQCSA-N 1 0 393.487 3.856 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159010756 1034380320 /nfs/dbraw/zinc/38/03/20/1034380320.db2.gz NSGNLSKBSXJLCF-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1F ZINC001207631938 1034498248 /nfs/dbraw/zinc/49/82/48/1034498248.db2.gz VBRDTYGUNOPGBC-APWZRJJASA-N 1 0 382.483 3.856 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC)nc3Cl)CC2)C1=O ZINC001277505571 1034509521 /nfs/dbraw/zinc/50/95/21/1034509521.db2.gz AISVDUGWRBUIKG-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCO[C@]2(CCCN(c3cccc(C)c3)C2)C1 ZINC001159291752 1034526077 /nfs/dbraw/zinc/52/60/77/1034526077.db2.gz SCOMQDSCRWCSCX-UPVQGACJSA-N 1 0 399.579 3.657 20 30 GHEDRO N#Cc1cc(Nc2ccc3nnc(-c4ccc(F)cc4)n3c2)cc(C2C[NH2+]C2)c1 ZINC001159365247 1034565845 /nfs/dbraw/zinc/56/58/45/1034565845.db2.gz BXHAMYNTJXCVPS-UHFFFAOYSA-N 1 0 384.418 3.837 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[NH+]3CCC(c4cccc(C#N)c4)CC3)[C@H]2C1 ZINC001207777521 1034572253 /nfs/dbraw/zinc/57/22/53/1034572253.db2.gz JLVMTOLAKKEGGN-MZADTFQBSA-N 1 0 381.520 3.851 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159538063 1034651086 /nfs/dbraw/zinc/65/10/86/1034651086.db2.gz FXNMYGCEXULLQC-UHFFFAOYSA-N 1 0 380.870 3.885 20 30 GHEDRO Cc1cc(Cl)nc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c1C#N ZINC001159626507 1034695089 /nfs/dbraw/zinc/69/50/89/1034695089.db2.gz YQDSOPVIXQTPRI-IYARVYRRSA-N 1 0 387.959 3.666 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159653688 1034703575 /nfs/dbraw/zinc/70/35/75/1034703575.db2.gz KHKATPWKZSBDHF-KRWDZBQOSA-N 1 0 390.865 3.953 20 30 GHEDRO N#CCc1ccnc(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC001208111867 1034740547 /nfs/dbraw/zinc/74/05/47/1034740547.db2.gz MHYHVVANDBAGLH-UHFFFAOYSA-N 1 0 377.492 3.845 20 30 GHEDRO CCCCCCC/C=C/C[NH+]1CCC2(CN(CCOC)C(=O)[C@H]2COC)CC1 ZINC001208118935 1034746067 /nfs/dbraw/zinc/74/60/67/1034746067.db2.gz SLFJGRVDXUJHHQ-RQWLHQTBSA-N 1 0 394.600 3.737 20 30 GHEDRO C=CCOC[C@@H]1C[N@@H+](CC[C@@H](C)c2ccc(C)o2)Cc2nnn(CC3CC3)c21 ZINC001208157271 1034761604 /nfs/dbraw/zinc/76/16/04/1034761604.db2.gz UILNZIMKGJIYDQ-APWZRJJASA-N 1 0 384.524 3.885 20 30 GHEDRO COc1cc(C#N)ccc1CN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001231620622 1034777414 /nfs/dbraw/zinc/77/74/14/1034777414.db2.gz GKGZKQXUJRGESA-JVNMPXIPSA-N 1 0 377.532 3.962 20 30 GHEDRO COc1cc(C#N)ccc1CN1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001231619923 1034777690 /nfs/dbraw/zinc/77/76/90/1034777690.db2.gz TXCQCPIWVMPEKZ-QHCPKHFHSA-N 1 0 379.479 3.946 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001231622320 1034779260 /nfs/dbraw/zinc/77/92/60/1034779260.db2.gz UNSFOTJVMZHODJ-LJQANCHMSA-N 1 0 385.508 3.836 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)c1 ZINC001231622791 1034780732 /nfs/dbraw/zinc/78/07/32/1034780732.db2.gz IRYCTFTUMQUVOV-RPWUZVMVSA-N 1 0 394.515 3.905 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1 ZINC001231623072 1034783021 /nfs/dbraw/zinc/78/30/21/1034783021.db2.gz SOZLZHUPELFBAG-WXFUMESZSA-N 1 0 394.515 3.985 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)c1 ZINC001231655016 1034812762 /nfs/dbraw/zinc/81/27/62/1034812762.db2.gz JTLACUGZYYJZGR-ILBGXUMGSA-N 1 0 388.511 3.612 20 30 GHEDRO CC(C)(C)NC(=O)c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001160100618 1034860135 /nfs/dbraw/zinc/86/01/35/1034860135.db2.gz LDIWCEJFKWZLIB-UHFFFAOYSA-N 1 0 391.519 3.580 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)c1c(C)n(C2CCCC2)c2ccc(OC)cc21 ZINC001160102085 1034860672 /nfs/dbraw/zinc/86/06/72/1034860672.db2.gz BYPXJTZEAOVDOY-UHFFFAOYSA-N 1 0 381.520 3.758 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001160102040 1034860753 /nfs/dbraw/zinc/86/07/53/1034860753.db2.gz ASUWZYVXKUFWPD-UHFFFAOYSA-N 1 0 382.316 3.802 20 30 GHEDRO COc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208405876 1034885547 /nfs/dbraw/zinc/88/55/47/1034885547.db2.gz NCRRQPJQXHBKOF-WMZOPIPTSA-N 1 0 378.476 3.599 20 30 GHEDRO N#Cc1cc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)ccc1OC1CCOCC1 ZINC001160235868 1034912441 /nfs/dbraw/zinc/91/24/41/1034912441.db2.gz XKJKFCSGTNCKQY-HXUWFJFHSA-N 1 0 393.487 3.990 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1C)C2 ZINC001231798236 1034915925 /nfs/dbraw/zinc/91/59/25/1034915925.db2.gz SPKZRSTZTAAJJF-JTHBVZDNSA-N 1 0 379.504 3.778 20 30 GHEDRO CCOc1cccc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC001231821267 1034929439 /nfs/dbraw/zinc/92/94/39/1034929439.db2.gz XFMSFWKWGNCZHN-UHFFFAOYSA-N 1 0 378.520 3.757 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccnc(C(F)F)c4)C3)CC2=O)c1 ZINC001231890253 1034971006 /nfs/dbraw/zinc/97/10/06/1034971006.db2.gz HMYQYLVMJVMXBR-NRFANRHFSA-N 1 0 382.414 3.520 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCc4ccc(Cl)cc4)C3)CC2=O)c1 ZINC001208743305 1034994416 /nfs/dbraw/zinc/99/44/16/1034994416.db2.gz GRFDOKGEDZNOPH-JOCHJYFZSA-N 1 0 379.891 3.883 20 30 GHEDRO N#Cc1cnc(Cl)cc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001160616011 1035016478 /nfs/dbraw/zinc/01/64/78/1035016478.db2.gz AAHBTLUVUUNZNE-WOJBJXKFSA-N 1 0 380.835 3.871 20 30 GHEDRO C#C[C@](C)([NH3+])C(=O)N(C)CC[C@H](c1cccs1)c1ccc(O)c2ccccc21 ZINC001160622635 1035018856 /nfs/dbraw/zinc/01/88/56/1035018856.db2.gz XMTGGGOKEOSCOW-CVDCTZTESA-N 1 0 392.524 3.938 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3[NH3+])c1-2 ZINC001160634432 1035021603 /nfs/dbraw/zinc/02/16/03/1035021603.db2.gz DVEJOTYIZPERTC-BBITVKMKSA-N 1 0 377.451 3.833 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCCc1ccccc1OC)CC2 ZINC001208837721 1035050571 /nfs/dbraw/zinc/05/05/71/1035050571.db2.gz HVJPFYZRPWEOIM-UHFFFAOYSA-N 1 0 395.547 3.995 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC001160748679 1035054644 /nfs/dbraw/zinc/05/46/44/1035054644.db2.gz ZNQAQKPOBRDDRS-OLZOCXBDSA-N 1 0 397.788 3.746 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(NCC[NH+]2CCC(F)(F)CC2)cc1F ZINC001160749336 1035054822 /nfs/dbraw/zinc/05/48/22/1035054822.db2.gz QVBZGBIWSJGBEE-UHFFFAOYSA-N 1 0 395.816 3.951 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001208849579 1035057338 /nfs/dbraw/zinc/05/73/38/1035057338.db2.gz IWHVJOVLBKVRCM-HSZRJFAPSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC001208852109 1035058250 /nfs/dbraw/zinc/05/82/50/1035058250.db2.gz UMCZDCKWHISJSC-VWNXMTODSA-N 1 0 391.515 3.836 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c1 ZINC001208852477 1035059757 /nfs/dbraw/zinc/05/97/57/1035059757.db2.gz LQXHCRKNWXJNIH-WXFUMESZSA-N 1 0 398.547 3.556 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cc1 ZINC001208862036 1035065054 /nfs/dbraw/zinc/06/50/54/1035065054.db2.gz SDYAIHCMMJFACT-KCZVDYSFSA-N 1 0 397.544 3.644 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001208863555 1035065502 /nfs/dbraw/zinc/06/55/02/1035065502.db2.gz HKYSXHUCSAWSPB-QGZVFWFLSA-N 1 0 390.409 3.843 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC001208929118 1035093224 /nfs/dbraw/zinc/09/32/24/1035093224.db2.gz NXOUKDKRDIVWOG-UHFFFAOYSA-N 1 0 381.907 3.783 20 30 GHEDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001232114855 1035104649 /nfs/dbraw/zinc/10/46/49/1035104649.db2.gz XPLILAPVMQVNMB-UHFFFAOYSA-N 1 0 383.927 3.543 20 30 GHEDRO C=CCN(CC[N@@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1)C(=O)OCC ZINC001209022444 1035152228 /nfs/dbraw/zinc/15/22/28/1035152228.db2.gz ZTMUZLOTNLGRDQ-JOCHJYFZSA-N 1 0 389.515 3.511 20 30 GHEDRO COc1ncc(NC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cc1C#N ZINC001209050237 1035157628 /nfs/dbraw/zinc/15/76/28/1035157628.db2.gz BYEZJZQWLJIDHT-APWZRJJASA-N 1 0 395.507 3.849 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@H](CC[NH+]2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001209057127 1035159525 /nfs/dbraw/zinc/15/95/25/1035159525.db2.gz ZQJSZNSVPRRIFI-FQEVSTJZSA-N 1 0 399.535 3.570 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCCCCCCCCC(=O)OC)C2)C1=O ZINC001209094902 1035170559 /nfs/dbraw/zinc/17/05/59/1035170559.db2.gz JFACPGNZXIAGPF-JOCHJYFZSA-N 1 0 378.557 3.781 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+](CCCCCCCCCC(=O)OC)CC2 ZINC001209096184 1035171585 /nfs/dbraw/zinc/17/15/85/1035171585.db2.gz YXQACLTYOYYLLA-UHFFFAOYSA-N 1 0 391.556 3.775 20 30 GHEDRO N#Cc1c(Cl)c(F)cc(C(=O)N2CCC(C3CC[NH2+]CC3)CC2)c1Cl ZINC001161214408 1035182400 /nfs/dbraw/zinc/18/24/00/1035182400.db2.gz XFQPCZGDSQHWBV-UHFFFAOYSA-N 1 0 384.282 3.856 20 30 GHEDRO C=CCCCC[N@@H+]1CCc2nc(C(=O)NCc3cccc(OC)c3)sc2CC1 ZINC001209202388 1035207418 /nfs/dbraw/zinc/20/74/18/1035207418.db2.gz CCTXDOBSLLUWSO-UHFFFAOYSA-N 1 0 399.560 3.839 20 30 GHEDRO N#Cc1cc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)nc2ccc(Cl)cc12 ZINC001161366499 1035217469 /nfs/dbraw/zinc/21/74/69/1035217469.db2.gz GKUSLKGMSPEWFH-WKILWMFISA-N 1 0 378.867 3.958 20 30 GHEDRO C#CCCC[NH+]1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)c1ccccc1O2 ZINC001209264261 1035227015 /nfs/dbraw/zinc/22/70/15/1035227015.db2.gz ZCQFMXQNSMAZJI-HXUWFJFHSA-N 1 0 380.532 3.813 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCC([NH3+])(c4cccnc4)CC3)c12 ZINC001161586909 1035265608 /nfs/dbraw/zinc/26/56/08/1035265608.db2.gz IHYMCAIHMZWXHU-UHFFFAOYSA-N 1 0 377.879 3.918 20 30 GHEDRO C=CCCCCCC[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCC(C)CC3)[C@@H]2C1 ZINC001209436649 1035273604 /nfs/dbraw/zinc/27/36/04/1035273604.db2.gz AAWGTDBKLPBWTC-VSKRKVRLSA-N 1 0 376.585 3.966 20 30 GHEDRO C=CCCCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC001209437373 1035273644 /nfs/dbraw/zinc/27/36/44/1035273644.db2.gz JSBGJGOPWGARMR-VXKWHMMOSA-N 1 0 390.593 3.801 20 30 GHEDRO C=CCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001209440255 1035274568 /nfs/dbraw/zinc/27/45/68/1035274568.db2.gz BHJVZWOYWDJUAY-NRSPTQNISA-N 1 0 380.548 3.668 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CCC[C@@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001209442739 1035275058 /nfs/dbraw/zinc/27/50/58/1035275058.db2.gz DHFJJAWYETXJMS-GMAHTHKFSA-N 1 0 392.584 3.633 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CCc2ncnc(N3CCN(C)CC3)c2CC1 ZINC001209444593 1035275634 /nfs/dbraw/zinc/27/56/34/1035275634.db2.gz VJPZXIMSGCGRHC-UHFFFAOYSA-N 1 0 385.600 3.546 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccccc1CC#N)[NH2+][C@@H](C)c1ccccc1 ZINC001209558235 1035312385 /nfs/dbraw/zinc/31/23/85/1035312385.db2.gz UILUSSLYCILIEE-GHTZIAJQSA-N 1 0 399.560 3.796 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccccc1CC#N)[NH2+][C@@H](C)c1ccccc1 ZINC001209558242 1035312389 /nfs/dbraw/zinc/31/23/89/1035312389.db2.gz UILUSSLYCILIEE-RXVVDRJESA-N 1 0 399.560 3.796 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)N4CCCC4)cc3)C2)c1 ZINC001209677220 1035352769 /nfs/dbraw/zinc/35/27/69/1035352769.db2.gz KFRDXHQAVDHKCV-HSZRJFAPSA-N 1 0 389.499 3.838 20 30 GHEDRO CCOc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1Cl ZINC001248158757 1035585866 /nfs/dbraw/zinc/58/58/66/1035585866.db2.gz BXKVSBGSJWXOCM-INIZCTEOSA-N 1 0 382.851 3.773 20 30 GHEDRO CCN(CC)c1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)cc1 ZINC001248180207 1035607847 /nfs/dbraw/zinc/60/78/47/1035607847.db2.gz BXYPNKPODZMPCE-IBGZPJMESA-N 1 0 375.476 3.567 20 30 GHEDRO c1nn(C2C[NH2+]C2)cc1-c1cnc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001241613849 1035635044 /nfs/dbraw/zinc/63/50/44/1035635044.db2.gz DTAPXLKYPUWKFT-UHFFFAOYSA-N 1 0 380.455 3.654 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(-c2cc(F)cc(C#N)c2)nc2ccccc21 ZINC001241656145 1035643878 /nfs/dbraw/zinc/64/38/78/1035643878.db2.gz WUQKPGIJRYVARV-UHFFFAOYSA-N 1 0 390.462 3.984 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(C[C@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)n2)c1 ZINC001248218156 1035649600 /nfs/dbraw/zinc/64/96/00/1035649600.db2.gz TVDGVXFVZVSAIV-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO C=CCc1ccnc(-c2ccc(N3CC[NH+](CC)CC3)cc2)c1C(OC)OC ZINC001241740497 1035667134 /nfs/dbraw/zinc/66/71/34/1035667134.db2.gz MQGNQBBKAGUBGK-UHFFFAOYSA-N 1 0 381.520 3.910 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2ccc(C#N)nc2Br)cc1 ZINC001248403540 1035818777 /nfs/dbraw/zinc/81/87/77/1035818777.db2.gz MDVTYKLBBIHXEZ-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2c(C#N)cnn2-c2ccc(F)cc2)cc1 ZINC001248408144 1035824062 /nfs/dbraw/zinc/82/40/62/1035824062.db2.gz UPRXJYUBOFRAQU-UHFFFAOYSA-N 1 0 379.439 3.957 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[C@H](c1ccccc1)[NH+](C)C ZINC001248532170 1035937770 /nfs/dbraw/zinc/93/77/70/1035937770.db2.gz WJTVLWNFLHIWFE-WQTXXOFMSA-N 1 0 376.504 3.926 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Br)cnc1C)CC2 ZINC001248779824 1036140303 /nfs/dbraw/zinc/14/03/03/1036140303.db2.gz YTUWOZWMRZECOC-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(Cl)c1OC)C2 ZINC001248797785 1036168046 /nfs/dbraw/zinc/16/80/46/1036168046.db2.gz SBHCLRBXFJYQER-GHTZIAJQSA-N 1 0 395.927 3.931 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(Cl)c1OC)CC2 ZINC001248798190 1036168428 /nfs/dbraw/zinc/16/84/28/1036168428.db2.gz IIJYQNUTNGFASK-NRFANRHFSA-N 1 0 392.927 3.890 20 30 GHEDRO N#CC1(c2ccc(-c3ccc(COC4CC[NH2+]CC4)cc3)nc2)CCOCC1 ZINC001245406692 1036910290 /nfs/dbraw/zinc/91/02/90/1036910290.db2.gz GTQLMSFEENVRCB-UHFFFAOYSA-N 1 0 377.488 3.589 20 30 GHEDRO N#Cc1ccccc1Oc1nc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)ncc1F ZINC001245426487 1036919626 /nfs/dbraw/zinc/91/96/26/1036919626.db2.gz YHWVEAXJYXMCJV-QGZVFWFLSA-N 1 0 380.423 3.548 20 30 GHEDRO Cc1nc(C#Cc2ccnc(-c3ccncc3C[NH3+])c2)c(C)n1-c1ccc(F)cc1 ZINC001245556462 1036951274 /nfs/dbraw/zinc/95/12/74/1036951274.db2.gz ZSQLMECHLHOZFR-UHFFFAOYSA-N 1 0 397.457 3.944 20 30 GHEDRO CCC[NH+]1C[C@H]2CN(C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC001245772093 1036993348 /nfs/dbraw/zinc/99/33/48/1036993348.db2.gz LBVBCYPTIBHXPR-KBPBESRZSA-N 1 0 382.455 3.547 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246026031 1037144143 /nfs/dbraw/zinc/14/41/43/1037144143.db2.gz HYNFVDJWPZFJFU-YTFSRNRJSA-N 1 0 398.632 3.595 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246032186 1037148888 /nfs/dbraw/zinc/14/88/88/1037148888.db2.gz LMNPNUUEXMKPBM-RJGXRXQPSA-N 1 0 398.632 3.595 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCN[C@H](c4ccccc4)C3)C2)CC1 ZINC001246527797 1037460590 /nfs/dbraw/zinc/46/05/90/1037460590.db2.gz WQEZOBIXJTXNKX-YADHBBJMSA-N 1 0 397.563 3.980 20 30 GHEDRO C=CCCC[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC001246653743 1037529305 /nfs/dbraw/zinc/52/93/05/1037529305.db2.gz NDUDQBZBFGXALS-JOCHJYFZSA-N 1 0 385.552 3.838 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001246899231 1037713811 /nfs/dbraw/zinc/71/38/11/1037713811.db2.gz ORAAFHFPHLRZSD-JTHBVZDNSA-N 1 0 393.531 3.646 20 30 GHEDRO Cc1sc(C[N@@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)cc1Br ZINC001277680248 1038319780 /nfs/dbraw/zinc/31/97/80/1038319780.db2.gz WEYNRIQBXNXOLC-QGZVFWFLSA-N 1 0 396.354 3.547 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnc(Br)cc3C)CC2)C1=O ZINC001277688193 1038385839 /nfs/dbraw/zinc/38/58/39/1038385839.db2.gz HKISEEOOXRMFPE-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccc(Cl)cc4C#N)CC[N@@H+]3C2)cc1 ZINC001232607302 1038390734 /nfs/dbraw/zinc/39/07/34/1038390734.db2.gz JTASTQZSODVSBX-RBBKRZOGSA-N 1 0 381.907 3.858 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001232608040 1038392785 /nfs/dbraw/zinc/39/27/85/1038392785.db2.gz UAEGLTHWPPYTBE-TZIWHRDSSA-N 1 0 385.870 3.688 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)ccc1SC)CC2 ZINC001277688898 1038394429 /nfs/dbraw/zinc/39/44/29/1038394429.db2.gz POTBKGFXQYIKFN-UHFFFAOYSA-N 1 0 376.953 3.900 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@@H]4CCCC5(C[NH2+]C5)O4)n3)cc2)cc1 ZINC001247841955 1038418310 /nfs/dbraw/zinc/41/83/10/1038418310.db2.gz XBYXLYGEFCDJRR-IBGZPJMESA-N 1 0 388.427 3.984 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@H]4CCSC45C[NH2+]C5)n3)cc2)cc1 ZINC001247865233 1038435813 /nfs/dbraw/zinc/43/58/13/1038435813.db2.gz YGPOHIZQBATUIY-GOSISDBHSA-N 1 0 390.468 3.963 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3CO[C@@]4(C3)CCC[NH2+]CC4)n2)cc1Cl ZINC001247924670 1038500581 /nfs/dbraw/zinc/50/05/81/1038500581.db2.gz IIYSLKYUPVIHGH-XIKOKIGWSA-N 1 0 393.274 3.931 20 30 GHEDRO C#C[C@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccc(F)cc1 ZINC001462282295 1070141302 /nfs/dbraw/zinc/14/13/02/1070141302.db2.gz WHAABWAXWHGVRZ-KRWDZBQOSA-N 1 0 376.378 3.673 20 30 GHEDRO N#Cc1cc(CN2CCCC[C@](O)(C(F)(F)F)C2)ccc1Br ZINC001232894337 1038685736 /nfs/dbraw/zinc/68/57/36/1038685736.db2.gz YFCHJJAXTAZDKD-CQSZACIVSA-N 1 0 377.204 3.600 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnc(OC)c4ccccc34)C2)C1 ZINC001232947284 1038724919 /nfs/dbraw/zinc/72/49/19/1038724919.db2.gz NBDXATRGTDROBT-QHCPKHFHSA-N 1 0 395.503 3.854 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c(C#N)c1 ZINC001232965447 1038740193 /nfs/dbraw/zinc/74/01/93/1038740193.db2.gz ZIGYJWVEULAKKW-QFIPXVFZSA-N 1 0 377.488 3.602 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1c(F)cc(Cl)cc1OC)CCC2 ZINC001233001181 1038761920 /nfs/dbraw/zinc/76/19/20/1038761920.db2.gz ZAJYGCKIKJURFD-UHFFFAOYSA-N 1 0 379.863 3.793 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccc(O)c4F)C3)C2)c1 ZINC001233052626 1038811760 /nfs/dbraw/zinc/81/17/60/1038811760.db2.gz QUYFHCQWDUDNFI-HSZRJFAPSA-N 1 0 395.478 3.522 20 30 GHEDRO CN(C)c1ccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c(F)c1C#N ZINC001233099836 1038878171 /nfs/dbraw/zinc/87/81/71/1038878171.db2.gz WGQVQJUJTJWOFT-UHFFFAOYSA-N 1 0 390.503 3.500 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(C)c(Br)c(C)c3)C2)C1=O ZINC001277762001 1038882761 /nfs/dbraw/zinc/88/27/61/1038882761.db2.gz QJUMTBDAPDPPJD-LJQANCHMSA-N 1 0 377.326 3.676 20 30 GHEDRO CN(C)c1ccc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1C#N ZINC001233102531 1038882966 /nfs/dbraw/zinc/88/29/66/1038882966.db2.gz DQMDCLKECIXBBB-FQEVSTJZSA-N 1 0 380.511 3.860 20 30 GHEDRO CN(C)c1ccc(CN2CCC([N@H+](C)Cc3ccccc3F)CC2)c(F)c1C#N ZINC001233102602 1038884094 /nfs/dbraw/zinc/88/40/94/1038884094.db2.gz FVYJJNMMZOAKLV-UHFFFAOYSA-N 1 0 398.501 3.999 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001252136330 1038887820 /nfs/dbraw/zinc/88/78/20/1038887820.db2.gz OAYKSXXVLCQTCJ-MOPGFXCFSA-N 1 0 398.588 3.714 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccncc2)CC1 ZINC001252139796 1038890113 /nfs/dbraw/zinc/89/01/13/1038890113.db2.gz SOFGPSNKPHDDEM-NJDAHSKKSA-N 1 0 375.557 3.824 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001252140933 1038891248 /nfs/dbraw/zinc/89/12/48/1038891248.db2.gz VJLRFBGLFJUVGV-OAQYLSRUSA-N 1 0 385.552 3.864 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cnc1C ZINC001233164007 1038936429 /nfs/dbraw/zinc/93/64/29/1038936429.db2.gz PDMQLYIXNCHBMF-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO C[C@@](O)(C[NH2+]C1(C)CCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252309052 1038937015 /nfs/dbraw/zinc/93/70/15/1038937015.db2.gz CCYMNONJHYSTTB-GOSISDBHSA-N 1 0 383.414 3.579 20 30 GHEDRO C[C@](O)(C[NH2+]C1CCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252309534 1038938029 /nfs/dbraw/zinc/93/80/29/1038938029.db2.gz FWKFKQNMOHCLOZ-SFHVURJKSA-N 1 0 383.414 3.579 20 30 GHEDRO CCCC1([NH2+]C[C@@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC001252338073 1038946477 /nfs/dbraw/zinc/94/64/77/1038946477.db2.gz GQXMLIDGIULDLH-QGZVFWFLSA-N 1 0 383.414 3.579 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@@H](O)C[NH2+]C[C@H]1CNC(=O)C1 ZINC001252372430 1038961271 /nfs/dbraw/zinc/96/12/71/1038961271.db2.gz HXJCAEYFZDOGKX-SFTDATJTSA-N 1 0 384.605 3.791 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(O)c(OCC3CC3)c1)C2 ZINC001233226554 1038986089 /nfs/dbraw/zinc/98/60/89/1038986089.db2.gz OLAVPHOCPKWXNI-GOTSBHOMSA-N 1 0 387.520 3.755 20 30 GHEDRO C=CCOC[C@@H](O)C[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001252462428 1038998750 /nfs/dbraw/zinc/99/87/50/1038998750.db2.gz GZEAUWFSSLKYEW-QFIPXVFZSA-N 1 0 378.516 3.592 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC(CC)([NH+]2CCC2)CC1)c1ccc(Cl)cc1F ZINC001252479032 1039001284 /nfs/dbraw/zinc/00/12/84/1039001284.db2.gz HPDHJYDZVOZSQR-GOSISDBHSA-N 1 0 377.891 3.813 20 30 GHEDRO C=CCOC[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC001252491125 1039004159 /nfs/dbraw/zinc/00/41/59/1039004159.db2.gz OQJXCTDFVFZFOR-RTBURBONSA-N 1 0 376.294 3.692 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC2(CN(C(=O)c3ccco3)c3ccc(C)cc32)CC1 ZINC001252549709 1039029863 /nfs/dbraw/zinc/02/98/63/1039029863.db2.gz HHQIMYGNSBMWQK-JOCHJYFZSA-N 1 0 380.488 3.519 20 30 GHEDRO C=C[C@@](C)(O)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252558085 1039030491 /nfs/dbraw/zinc/03/04/91/1039030491.db2.gz RBZVGULJZDSWQB-SFGWALBWSA-N 1 0 389.540 3.657 20 30 GHEDRO C=C[C@](C)(O)C[N@@H+](Cc1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001252556025 1039030631 /nfs/dbraw/zinc/03/06/31/1039030631.db2.gz CZVYONLYFJYNNA-QFIPXVFZSA-N 1 0 392.515 3.964 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC001252594902 1039040983 /nfs/dbraw/zinc/04/09/83/1039040983.db2.gz BHRPDJYEUDXINB-NRFANRHFSA-N 1 0 376.504 3.903 20 30 GHEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001252595356 1039041233 /nfs/dbraw/zinc/04/12/33/1039041233.db2.gz GUCVVTMPYSERHX-UXHICEINSA-N 1 0 386.536 3.650 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001252599752 1039042748 /nfs/dbraw/zinc/04/27/48/1039042748.db2.gz IBFPUBONIAOIQQ-QFIPXVFZSA-N 1 0 386.486 3.999 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]nc1-c1cc(F)cc(F)c1)C2 ZINC001233404520 1039249437 /nfs/dbraw/zinc/24/94/37/1039249437.db2.gz PRKBVCHONWHSBJ-TZIWHRDSSA-N 1 0 389.446 3.681 20 30 GHEDRO N#Cc1ccc(-c2csc(NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC001252923798 1039262419 /nfs/dbraw/zinc/26/24/19/1039262419.db2.gz UAJMMMXOZJXXRR-HXUWFJFHSA-N 1 0 396.541 3.792 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252932466 1039270568 /nfs/dbraw/zinc/27/05/68/1039270568.db2.gz SIOFDJZLHGQXQH-QFIPXVFZSA-N 1 0 383.923 3.693 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001252970576 1039304885 /nfs/dbraw/zinc/30/48/85/1039304885.db2.gz JOXVOHAHTNBIQS-PKTZIBPZSA-N 1 0 398.595 3.581 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453198 1039339927 /nfs/dbraw/zinc/33/99/27/1039339927.db2.gz YOEUQPORXNYJGQ-IBGZPJMESA-N 1 0 382.426 3.944 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc(OCC2CCOCC2)nc1 ZINC001253253017 1039504652 /nfs/dbraw/zinc/50/46/52/1039504652.db2.gz BIAKAAJFQPXCNU-NRFANRHFSA-N 1 0 376.541 3.864 20 30 GHEDRO CCCCCCCCCCCCCC[C@@H](O)C[NH2+][C@@H](Cc1c[nH]cn1)C(N)=O ZINC001253564743 1039705952 /nfs/dbraw/zinc/70/59/52/1039705952.db2.gz GDEORXMJNHJTOF-RTWAWAEBSA-N 1 0 394.604 3.848 20 30 GHEDRO C=C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253609427 1039719357 /nfs/dbraw/zinc/71/93/57/1039719357.db2.gz SAWVDYDBJWRICU-QGZVFWFLSA-N 1 0 380.916 3.703 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@@H](C)CO ZINC001253614247 1039723123 /nfs/dbraw/zinc/72/31/23/1039723123.db2.gz KZDWEGZMCAZOTO-NHCUHLMSSA-N 1 0 375.594 3.519 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC2(C1)C[NH+](C)C2 ZINC001253614887 1039725751 /nfs/dbraw/zinc/72/57/51/1039725751.db2.gz WXUCUTFOUBJAIN-QFIPXVFZSA-N 1 0 398.632 3.549 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CC(C2COC2)C1 ZINC001253616288 1039727657 /nfs/dbraw/zinc/72/76/57/1039727657.db2.gz RJDQRKPGUTXXRK-QHCPKHFHSA-N 1 0 399.616 3.880 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c[nH]c(=O)c4ccccc34)C2)C1 ZINC001233965606 1039733230 /nfs/dbraw/zinc/73/32/30/1039733230.db2.gz YXCCEMYERYTFTP-QFIPXVFZSA-N 1 0 381.476 3.551 20 30 GHEDRO COc1ccc(/C=C\C(=O)c2ccccc2O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001234078915 1039818583 /nfs/dbraw/zinc/81/85/83/1039818583.db2.gz FLVNMYCGYSHFJH-PPUYAZIDSA-N 1 0 391.467 3.774 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2ccccc2O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001234078927 1039818642 /nfs/dbraw/zinc/81/86/42/1039818642.db2.gz FLVNMYCGYSHFJH-WGIASFCTSA-N 1 0 391.467 3.774 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@H]2C[C@@]3(CO2)CCC[NH2+]C3)cc1 ZINC001254066062 1039980418 /nfs/dbraw/zinc/98/04/18/1039980418.db2.gz ACAHHHPYIFRJGS-RDGATRHJSA-N 1 0 398.510 3.752 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254277762 1040125278 /nfs/dbraw/zinc/12/52/78/1040125278.db2.gz ZPVNSKMOMXQPIH-GOSISDBHSA-N 1 0 393.325 3.541 20 30 GHEDRO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cc4sccc4nc3Cl)C2)C1=O ZINC001277867408 1040148547 /nfs/dbraw/zinc/14/85/47/1040148547.db2.gz ZJIVHIRYFFSBTO-IBGZPJMESA-N 1 0 388.924 3.678 20 30 GHEDRO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc4sccc4nc3Cl)C2)C1=O ZINC001277867409 1040149198 /nfs/dbraw/zinc/14/91/98/1040149198.db2.gz ZJIVHIRYFFSBTO-LJQANCHMSA-N 1 0 388.924 3.678 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC001254352805 1040185082 /nfs/dbraw/zinc/18/50/82/1040185082.db2.gz FEBTVWYDDAENJR-LZHHBXLSSA-N 1 0 391.490 3.811 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CC3(CN(c4ccccc4)C3=O)C2)CC1 ZINC001254357118 1040189198 /nfs/dbraw/zinc/18/91/98/1040189198.db2.gz YWLKWLMXYUEOID-UHFFFAOYSA-N 1 0 389.474 3.878 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CC(N3CCC(F)(F)CC3)C2)CC1 ZINC001254356761 1040190198 /nfs/dbraw/zinc/19/01/98/1040190198.db2.gz UAHJVYGSFYVFCM-UHFFFAOYSA-N 1 0 377.454 3.945 20 30 GHEDRO Cc1ccnc(O[C@H]2CC[N@@H+](C3CCC(C#N)(c4ccc(F)cc4)CC3)C2)n1 ZINC001254358903 1040191531 /nfs/dbraw/zinc/19/15/31/1040191531.db2.gz BWSTUFLRANTPGZ-FUHYEJFZSA-N 1 0 380.467 3.781 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@H](Oc3cnccn3)C2)CC1 ZINC001254359747 1040192462 /nfs/dbraw/zinc/19/24/62/1040192462.db2.gz PESDRYYXOFVFDQ-FUHYEJFZSA-N 1 0 380.467 3.863 20 30 GHEDRO CCN1c2ccc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)cc2C(C)(C)C1=O ZINC001234898373 1040411410 /nfs/dbraw/zinc/41/14/10/1040411410.db2.gz DDZFDYBMTKFHIL-FQEVSTJZSA-N 1 0 389.499 3.856 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC001254644935 1040415710 /nfs/dbraw/zinc/41/57/10/1040415710.db2.gz BTXAMHIZPXAULW-JOCHJYFZSA-N 1 0 377.488 3.999 20 30 GHEDRO C=CCc1c(O[C@H](C)C[N+](C)(C)C)c2cccnc2n(-c2ccccc2)c1=O ZINC001234904090 1040421852 /nfs/dbraw/zinc/42/18/52/1040421852.db2.gz XFIQDWDRSRRVPG-QGZVFWFLSA-N 1 0 378.496 3.588 20 30 GHEDRO C#Cc1cccc(C[NH2+]C2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)c1 ZINC001254717176 1040476579 /nfs/dbraw/zinc/47/65/79/1040476579.db2.gz FCMFOHPLKPJIQX-UHFFFAOYSA-N 1 0 384.520 3.706 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235211450 1040694258 /nfs/dbraw/zinc/69/42/58/1040694258.db2.gz VGMRWNFLFFOJBI-DZFIZOCASA-N 1 0 384.277 3.502 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCC[C@H](C(=O)OCC)C1)[C@@H]2CC ZINC001255359623 1040961840 /nfs/dbraw/zinc/96/18/40/1040961840.db2.gz CWNDUMLCULZCFW-JYLXEMOASA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001235502601 1040964753 /nfs/dbraw/zinc/96/47/53/1040964753.db2.gz QXBFKYVAOWJDPA-QUCCMNQESA-N 1 0 375.900 3.790 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F ZINC001255437323 1041036444 /nfs/dbraw/zinc/03/64/44/1041036444.db2.gz ILPYPMCEDYKQIA-NRFANRHFSA-N 1 0 394.494 3.893 20 30 GHEDRO C=CCOc1ccc(CN2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1 ZINC001235647253 1041087352 /nfs/dbraw/zinc/08/73/52/1041087352.db2.gz ZQYNMDAFAMQXNB-UHFFFAOYSA-N 1 0 380.536 3.886 20 30 GHEDRO N#Cc1cc(F)c(CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654281 1041099713 /nfs/dbraw/zinc/09/97/13/1041099713.db2.gz NYAYMQSBLCAPHZ-RBBKRZOGSA-N 1 0 399.441 3.682 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001255697950 1041221951 /nfs/dbraw/zinc/22/19/51/1041221951.db2.gz UXRWKZZGQXIGSI-AEFFLSMTSA-N 1 0 379.426 3.874 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)C1 ZINC001255902597 1041384300 /nfs/dbraw/zinc/38/43/00/1041384300.db2.gz IMOYAJPYMNQAKR-NRFANRHFSA-N 1 0 398.551 3.512 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001236153554 1041573375 /nfs/dbraw/zinc/57/33/75/1041573375.db2.gz NHXAEQSGVHCFNV-MRXNPFEDSA-N 1 0 381.543 3.703 20 30 GHEDRO N#Cc1cc(-c2ccc(F)c(C(=O)N3CCCC3)c2)ccc1OC1CC[NH2+]CC1 ZINC001236170537 1041589660 /nfs/dbraw/zinc/58/96/60/1041589660.db2.gz VIHCCNKBGWRJNQ-UHFFFAOYSA-N 1 0 393.462 3.731 20 30 GHEDRO CSc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C#N ZINC001462580894 1070387043 /nfs/dbraw/zinc/38/70/43/1070387043.db2.gz NCOQGQNPFCJUKN-CYBMUJFWSA-N 1 0 384.461 3.695 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(OC)c3Cl)C2)C1 ZINC001237185744 1042083923 /nfs/dbraw/zinc/08/39/23/1042083923.db2.gz URIKRJZCKSNPLD-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)ccc2[nH]1 ZINC001237318295 1042144268 /nfs/dbraw/zinc/14/42/68/1042144268.db2.gz AKINGYSKVGIMNM-LJQANCHMSA-N 1 0 389.455 3.870 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c2cc(C#N)ccc21 ZINC001237465726 1042219412 /nfs/dbraw/zinc/21/94/12/1042219412.db2.gz HYFINRNUWXVSKW-DHIUTWEWSA-N 1 0 384.483 3.820 20 30 GHEDRO CCC[N@@H+](Cc1cn2cc(C#N)ccc2n1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237612418 1042281739 /nfs/dbraw/zinc/28/17/39/1042281739.db2.gz XZZQMPBYSYMZJH-SFHVURJKSA-N 1 0 397.523 3.675 20 30 GHEDRO CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237616690 1042282893 /nfs/dbraw/zinc/28/28/93/1042282893.db2.gz FEWCZXTUWMPAJB-IYARVYRRSA-N 1 0 382.508 3.787 20 30 GHEDRO N#Cc1ccc2nc(CN3CCC[C@H]([N@H+](Cc4ccccc4)C4CC4)C3)cn2c1 ZINC001237617332 1042283855 /nfs/dbraw/zinc/28/38/55/1042283855.db2.gz LJRXJYXJOAHYIX-QHCPKHFHSA-N 1 0 385.515 3.835 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001237747533 1042351212 /nfs/dbraw/zinc/35/12/12/1042351212.db2.gz CWMQVAODTLTDLQ-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4cc(Cl)cc(C#N)c4)C3)CC2=O)cc1 ZINC001237749220 1042351764 /nfs/dbraw/zinc/35/17/64/1042351764.db2.gz QTNLUFSBDUXOEC-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001237749086 1042352025 /nfs/dbraw/zinc/35/20/25/1042352025.db2.gz PXIAWAYAJLKSRI-JOCHJYFZSA-N 1 0 397.881 3.975 20 30 GHEDRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]2CCCO[C@H]12 ZINC001237751108 1042353947 /nfs/dbraw/zinc/35/39/47/1042353947.db2.gz RVAZAOLMZWUKKX-BWAGFHJFSA-N 1 0 399.922 3.916 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)nc1Cl)CC2 ZINC001237795938 1042374333 /nfs/dbraw/zinc/37/43/33/1042374333.db2.gz SCLKCPDILRSDBH-UHFFFAOYSA-N 1 0 393.915 3.744 20 30 GHEDRO CC(C)C1=[NH+]CCc2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)cc21 ZINC001237887980 1042410878 /nfs/dbraw/zinc/41/08/78/1042410878.db2.gz XZHCHEASXQQERM-LJQANCHMSA-N 1 0 396.535 3.633 20 30 GHEDRO COc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Br)c(OC)c1OC ZINC001237951312 1042435713 /nfs/dbraw/zinc/43/57/13/1042435713.db2.gz FBQWTPQKVIEPLK-DEZZGGKRSA-N 1 0 395.297 3.741 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c(Cl)c1 ZINC001238082101 1042485258 /nfs/dbraw/zinc/48/52/58/1042485258.db2.gz HDSAAWHDWVJOTJ-UHFFFAOYSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)c(Cl)c1 ZINC001238083588 1042486207 /nfs/dbraw/zinc/48/62/07/1042486207.db2.gz VDHVZVUNSJXEJM-UHFFFAOYSA-N 1 0 383.879 3.933 20 30 GHEDRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4Cl)C[C@@H]3C2=O)c1 ZINC001238084379 1042486647 /nfs/dbraw/zinc/48/66/47/1042486647.db2.gz QFUVMTUVZJKLJX-PMACEKPBSA-N 1 0 379.891 3.611 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]2C1 ZINC001238087284 1042487158 /nfs/dbraw/zinc/48/71/58/1042487158.db2.gz YHHDSLJNMNHEAI-DOTOQJQBSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)ccc1Cl ZINC001238191348 1042514872 /nfs/dbraw/zinc/51/48/72/1042514872.db2.gz ROXKKWDUICENFM-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)ncc1Cl)[C@H]2CC ZINC001238351818 1042566074 /nfs/dbraw/zinc/56/60/74/1042566074.db2.gz RDDFKBKVFCKNKN-PXNSSMCTSA-N 1 0 377.916 3.665 20 30 GHEDRO COc1cc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)ccc1C#N ZINC001238405852 1042586283 /nfs/dbraw/zinc/58/62/83/1042586283.db2.gz BNRYCDSTQHZVBP-NRFANRHFSA-N 1 0 389.499 3.547 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CN(c4ccccc4)C(=O)O3)CC2)ccc1C#N ZINC001238407359 1042586762 /nfs/dbraw/zinc/58/67/62/1042586762.db2.gz NXYSKVZAKXWFBD-UHFFFAOYSA-N 1 0 377.444 3.558 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)ccc1C#N ZINC001238409368 1042587332 /nfs/dbraw/zinc/58/73/32/1042587332.db2.gz ZEEXOSFLVJESNT-UXHICEINSA-N 1 0 384.483 3.739 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)N2CCCC3(CCCC[NH2+]C3)CCC2)c(Cl)c1 ZINC001238995017 1042756020 /nfs/dbraw/zinc/75/60/20/1042756020.db2.gz NEEFGIFVTKCORT-UHFFFAOYSA-N 1 0 395.956 3.536 20 30 GHEDRO N#Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N1CC[NH2+]CC1 ZINC001239189902 1042782739 /nfs/dbraw/zinc/78/27/39/1042782739.db2.gz HBBOYAGBRLNULQ-UHFFFAOYSA-N 1 0 390.274 3.919 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC001239255119 1042798869 /nfs/dbraw/zinc/79/88/69/1042798869.db2.gz VRJCMYOQUWZWFT-PELKAZGASA-N 1 0 387.299 3.897 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2CC3(C2)CC[NH2+]CC3)cc1C(F)(F)F ZINC001239362584 1042813498 /nfs/dbraw/zinc/81/34/98/1042813498.db2.gz INGZURQGHSDORW-UHFFFAOYSA-N 1 0 382.455 3.643 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(C(=S)Nc2cccc(C#N)c2)C1 ZINC001239445364 1042831017 /nfs/dbraw/zinc/83/10/17/1042831017.db2.gz LWJOUIUJTJJSDM-GOSISDBHSA-N 1 0 390.629 3.621 20 30 GHEDRO N#Cc1cc(-c2cccc(C(=O)Nc3ccccc3)c2)ccc1N1CC[NH2+]CC1 ZINC001240113720 1042893030 /nfs/dbraw/zinc/89/30/30/1042893030.db2.gz NCTMUYKPNBHDIE-UHFFFAOYSA-N 1 0 382.467 3.887 20 30 GHEDRO CN1CC[NH+](Cc2cccc(-c3ccc(C4(C#N)CCOCC4)cc3)c2)CC1 ZINC001240292786 1042919199 /nfs/dbraw/zinc/91/91/99/1042919199.db2.gz KPPWYZAHGVQYSE-UHFFFAOYSA-N 1 0 375.516 3.673 20 30 GHEDRO COc1cccc(Oc2nc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ncc2F)c1 ZINC001240346738 1042922404 /nfs/dbraw/zinc/92/24/04/1042922404.db2.gz VYMRUAVDSILVMO-UHFFFAOYSA-N 1 0 376.391 3.642 20 30 GHEDRO N#Cc1cc(-c2ccc(C(=O)N3CCc4ccccc43)cn2)cc(C2C[NH2+]C2)c1 ZINC001240343217 1042922442 /nfs/dbraw/zinc/92/24/42/1042922442.db2.gz JQSNNRRCHWKXQA-UHFFFAOYSA-N 1 0 380.451 3.510 20 30 GHEDRO COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240356273 1042923174 /nfs/dbraw/zinc/92/31/74/1042923174.db2.gz ONEZCQUEPAMXBP-UHFFFAOYSA-N 1 0 394.471 3.885 20 30 GHEDRO C=CCc1ccnc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)c1C(OC)OC ZINC001240396006 1042925565 /nfs/dbraw/zinc/92/55/65/1042925565.db2.gz MVNJCCGDMMGYLW-UHFFFAOYSA-N 1 0 381.520 3.516 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001291045335 1043051852 /nfs/dbraw/zinc/05/18/52/1043051852.db2.gz BUFGBDRVPAILBA-QZTJIDSGSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001291097685 1043077614 /nfs/dbraw/zinc/07/76/14/1043077614.db2.gz ZOZYMTOVEBEVDJ-RTBURBONSA-N 1 0 397.571 3.677 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106763 1043082007 /nfs/dbraw/zinc/08/20/07/1043082007.db2.gz AIELQDUDRDDTQK-QZTJIDSGSA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001291135912 1043104190 /nfs/dbraw/zinc/10/41/90/1043104190.db2.gz MNTHNJRWFQOCKP-CVEARBPZSA-N 1 0 386.931 3.821 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001291437768 1043254837 /nfs/dbraw/zinc/25/48/37/1043254837.db2.gz REVDQUAXJYRKKJ-RTBURBONSA-N 1 0 394.567 3.836 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN([C@@H](C)Cc2ccccc2Br)C1 ZINC001256845497 1043694257 /nfs/dbraw/zinc/69/42/57/1043694257.db2.gz ABSCKBLECOKJEN-GOEBONIOSA-N 1 0 381.314 3.757 20 30 GHEDRO CS(=O)(=O)N([C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1)C1CCC(C#N)CC1 ZINC001256963411 1043774788 /nfs/dbraw/zinc/77/47/88/1043774788.db2.gz IBHUQVHVVIGBBX-MNAWUITFSA-N 1 0 397.544 3.772 20 30 GHEDRO CCC[N@H+]([C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC)C1CCC(C#N)CC1 ZINC001256968146 1043777224 /nfs/dbraw/zinc/77/72/24/1043777224.db2.gz AUUJDXKIXCDYBT-FHERZECASA-N 1 0 391.537 3.965 20 30 GHEDRO COC(=O)[C@H](Cc1ccc(C#N)cc1)NC1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016220 1043800938 /nfs/dbraw/zinc/80/09/38/1043800938.db2.gz YPQYRLLBPJWNKL-VNXZQDSDSA-N 1 0 387.483 3.830 20 30 GHEDRO Cc1ccnc(N(C2CC[NH2+]CC2)C2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001257022310 1043807920 /nfs/dbraw/zinc/80/79/20/1043807920.db2.gz JPZADSXFIIPRSM-UHFFFAOYSA-N 1 0 375.520 3.942 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCN(C(=O)c4ccc(O)cc4)CC3)CC2)cc1 ZINC001257022132 1043808156 /nfs/dbraw/zinc/80/81/56/1043808156.db2.gz GUZUGTDBJBZRDN-UHFFFAOYSA-N 1 0 389.499 3.748 20 30 GHEDRO CSc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc(SC)n1 ZINC001307154720 1043980802 /nfs/dbraw/zinc/98/08/02/1043980802.db2.gz BKJLAAITVQSWBX-UHFFFAOYSA-N 1 0 385.562 3.869 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)CC1 ZINC001293033704 1043993559 /nfs/dbraw/zinc/99/35/59/1043993559.db2.gz NCOIAMFDJKFUTK-UHFFFAOYSA-N 1 0 386.536 3.672 20 30 GHEDRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001293301063 1044098304 /nfs/dbraw/zinc/09/83/04/1044098304.db2.gz FMYZSKKBRWYTMA-DBXWQHBBSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC(C#N)CC1 ZINC001293363059 1044136525 /nfs/dbraw/zinc/13/65/25/1044136525.db2.gz GSLKOYOXTGDJJC-IBGZPJMESA-N 1 0 396.539 3.851 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001293364664 1044137932 /nfs/dbraw/zinc/13/79/32/1044137932.db2.gz HGHAYOLHINPPSL-PGRDOPGGSA-N 1 0 395.555 3.668 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001293423281 1044169128 /nfs/dbraw/zinc/16/91/28/1044169128.db2.gz CTFBTJHRJLKSRV-UXHICEINSA-N 1 0 378.524 3.536 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001257810713 1044192202 /nfs/dbraw/zinc/19/22/02/1044192202.db2.gz SHIXBRWIPSNTQN-LZJOCLMNSA-N 1 0 392.565 3.830 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001293464013 1044194467 /nfs/dbraw/zinc/19/44/67/1044194467.db2.gz XVQCLZRAVSYCJU-OALUTQOASA-N 1 0 392.551 3.785 20 30 GHEDRO C=CC1(CC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCCCC1 ZINC001293558261 1044239844 /nfs/dbraw/zinc/23/98/44/1044239844.db2.gz IRCHRDCXLDZPFB-UHFFFAOYSA-N 1 0 397.563 3.655 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3CCc4c(ccc(=O)n4Cc4cccnc4)C3)C[C@H](C1)C2 ZINC001257887197 1044245033 /nfs/dbraw/zinc/24/50/33/1044245033.db2.gz WYRCLSPMKJOSQS-SXYMUXSESA-N 1 0 389.543 3.873 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCCn4nnc(CNc5cccnc5)c4C3)C[C@H](C1)C2 ZINC001257891844 1044247663 /nfs/dbraw/zinc/24/76/63/1044247663.db2.gz RCSXZZWFSOCRGJ-UFRUDQCGSA-N 1 0 378.524 3.626 20 30 GHEDRO C=C1C[C@@H]2CC(N(C3CC[NH2+]CC3)S(=O)(=O)c3ccc(F)cc3)C[C@H](C1)C2 ZINC001257893899 1044249317 /nfs/dbraw/zinc/24/93/17/1044249317.db2.gz CKKMUDHMPIKIJK-XEWABKELSA-N 1 0 392.540 3.703 20 30 GHEDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3c(Cl)cc(C#N)cc3Cl)o2)C[C@H](C)O1 ZINC001258145005 1044430741 /nfs/dbraw/zinc/43/07/41/1044430741.db2.gz FZZUBMALLDZUAY-PHIMTYICSA-N 1 0 381.263 3.567 20 30 GHEDRO C[NH+](C)CCn1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1 ZINC001294073273 1044457485 /nfs/dbraw/zinc/45/74/85/1044457485.db2.gz JWRLJDCCIJISLR-UHFFFAOYSA-N 1 0 393.422 3.500 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCN(c3cccc(F)c3)CC1)CC2 ZINC001258424390 1044558173 /nfs/dbraw/zinc/55/81/73/1044558173.db2.gz ZLTDLHOYJGYUFN-HSZRJFAPSA-N 1 0 385.527 3.828 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258524888 1044602869 /nfs/dbraw/zinc/60/28/69/1044602869.db2.gz ZHBAAZWUBDKJTO-UNMCSNQZSA-N 1 0 393.568 3.772 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCC3(CC1)OCC(C)(C)CO3)CCO2 ZINC001258525303 1044604475 /nfs/dbraw/zinc/60/44/75/1044604475.db2.gz OPDBSEFKIHSZPW-SIKLNZKXSA-N 1 0 393.568 3.772 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC001462846253 1070592855 /nfs/dbraw/zinc/59/28/55/1070592855.db2.gz BRQAYPZCZPKRNQ-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO CCC[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001295027847 1044889482 /nfs/dbraw/zinc/88/94/82/1044889482.db2.gz YXJOLUHGANQFRT-PWIZWCRZSA-N 1 0 378.524 3.708 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)C1 ZINC001296035043 1045227864 /nfs/dbraw/zinc/22/78/64/1045227864.db2.gz AEPLHPIIHYSCIR-NSHGMRRFSA-N 1 0 392.551 3.641 20 30 GHEDRO CCN(C(=O)C(F)(F)c1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001296065966 1045242269 /nfs/dbraw/zinc/24/22/69/1045242269.db2.gz SFRJCNIQYWTRID-IBGZPJMESA-N 1 0 383.442 3.773 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)[C@H](C)CC#N ZINC001296083826 1045249313 /nfs/dbraw/zinc/24/93/13/1045249313.db2.gz ICYFIWOPIBDDAT-MOPGFXCFSA-N 1 0 380.540 3.866 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC001297373090 1045505349 /nfs/dbraw/zinc/50/53/49/1045505349.db2.gz NCEDDYJHMSUADI-UHFFFAOYSA-N 1 0 381.398 3.940 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CSc1nccn1-c1ccc(C)c(C)c1 ZINC001297380009 1045506918 /nfs/dbraw/zinc/50/69/18/1045506918.db2.gz SUAPCAWJTYCBAH-UHFFFAOYSA-N 1 0 386.565 3.548 20 30 GHEDRO Cc1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)ccc1C#N ZINC001462989839 1070711998 /nfs/dbraw/zinc/71/19/98/1070711998.db2.gz JPJGCPGXVFADQJ-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300905541 1046233430 /nfs/dbraw/zinc/23/34/30/1046233430.db2.gz SGYSKMYQUDGBSY-QGZVFWFLSA-N 1 0 378.524 3.702 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300909078 1046235549 /nfs/dbraw/zinc/23/55/49/1046235549.db2.gz JPZQXFZRIAPNFF-HXUWFJFHSA-N 1 0 382.556 3.863 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301086075 1046329482 /nfs/dbraw/zinc/32/94/82/1046329482.db2.gz RZELEFXYYWPUBY-SFTDATJTSA-N 1 0 395.551 3.550 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001301119449 1046356030 /nfs/dbraw/zinc/35/60/30/1046356030.db2.gz JDCCBGVIKMADLO-IBGZPJMESA-N 1 0 394.567 3.863 20 30 GHEDRO C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001301225399 1046414154 /nfs/dbraw/zinc/41/41/54/1046414154.db2.gz DTCOUMMCWRQBKZ-UHFFFAOYSA-N 1 0 396.583 3.787 20 30 GHEDRO C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001301227903 1046416489 /nfs/dbraw/zinc/41/64/89/1046416489.db2.gz XGOVLHQGDBVOQQ-CVEARBPZSA-N 1 0 388.585 3.519 20 30 GHEDRO C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001301227904 1046416567 /nfs/dbraw/zinc/41/65/67/1046416567.db2.gz XGOVLHQGDBVOQQ-HOTGVXAUSA-N 1 0 388.585 3.519 20 30 GHEDRO C=CC[C@@H](c1nnc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)n1C)c1ccccc1 ZINC001262912369 1046417049 /nfs/dbraw/zinc/41/70/49/1046417049.db2.gz YTYRVAIPAKVFIU-JSXRDJHFSA-N 1 0 379.552 3.690 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001301271119 1046442517 /nfs/dbraw/zinc/44/25/17/1046442517.db2.gz VHUUOLWASARGIC-GOSISDBHSA-N 1 0 397.548 3.940 20 30 GHEDRO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001262962488 1046452834 /nfs/dbraw/zinc/45/28/34/1046452834.db2.gz OGKNWAARVDQLDP-AEFFLSMTSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CCN(C)c1nnc(CCCc2ccccc2)n1CC1([NH+](C)C)CCCC1 ZINC001301305737 1046467707 /nfs/dbraw/zinc/46/77/07/1046467707.db2.gz MTKZEEGPEKHGBS-UHFFFAOYSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001301309554 1046472006 /nfs/dbraw/zinc/47/20/06/1046472006.db2.gz FHKDRSJHOKSJMQ-IPMKNSEASA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001301310882 1046473489 /nfs/dbraw/zinc/47/34/89/1046473489.db2.gz UNAVFZJLXAFJIO-WOJBJXKFSA-N 1 0 383.540 3.835 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001301342165 1046502161 /nfs/dbraw/zinc/50/21/61/1046502161.db2.gz ZCZVVIVCRBQRLK-FQEVSTJZSA-N 1 0 390.491 3.547 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001301342166 1046502342 /nfs/dbraw/zinc/50/23/42/1046502342.db2.gz ZCZVVIVCRBQRLK-HXUWFJFHSA-N 1 0 390.491 3.547 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CC1([NH+](C)C)CCC1 ZINC001301347311 1046504086 /nfs/dbraw/zinc/50/40/86/1046504086.db2.gz UKZZYSREBRQIJB-UHFFFAOYSA-N 1 0 390.535 3.950 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001301380849 1046517050 /nfs/dbraw/zinc/51/70/50/1046517050.db2.gz MRWPENHJFXNRFU-HXUWFJFHSA-N 1 0 382.556 3.962 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301394035 1046523628 /nfs/dbraw/zinc/52/36/28/1046523628.db2.gz JHNVTPMASKQGBS-UXHICEINSA-N 1 0 394.567 3.563 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001263314869 1046708607 /nfs/dbraw/zinc/70/86/07/1046708607.db2.gz GHRSLTPZSXEMKR-UHFFFAOYSA-N 1 0 395.420 3.515 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N(CC(C)C)CC1CC[NH+](C)CC1 ZINC001263340959 1046724474 /nfs/dbraw/zinc/72/44/74/1046724474.db2.gz YMYCGNQVIJKFIA-UHFFFAOYSA-N 1 0 386.588 3.751 20 30 GHEDRO C=C(C)Cn1c(CCOCC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001263341180 1046725457 /nfs/dbraw/zinc/72/54/57/1046725457.db2.gz FTTWOJREDSSPDX-WOJBJXKFSA-N 1 0 389.588 3.524 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@H]1C ZINC001301958844 1046762500 /nfs/dbraw/zinc/76/25/00/1046762500.db2.gz IRDKGIVIBQKOEB-JKSUJKDBSA-N 1 0 386.931 3.679 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001301960962 1046762702 /nfs/dbraw/zinc/76/27/02/1046762702.db2.gz VDVSNXTYASOSFH-RDTXWAMCSA-N 1 0 386.931 3.535 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001301971906 1046768887 /nfs/dbraw/zinc/76/88/87/1046768887.db2.gz QILRIJBXXFYARW-LJQANCHMSA-N 1 0 394.567 3.739 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301971694 1046769247 /nfs/dbraw/zinc/76/92/47/1046769247.db2.gz OVZGCDBWXBCPDB-GOSISDBHSA-N 1 0 386.588 3.729 20 30 GHEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1C)[NH+]1CCCC1 ZINC001302514415 1046959854 /nfs/dbraw/zinc/95/98/54/1046959854.db2.gz QAOUJBCGORINPD-NQIIRXRSSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001302839496 1047133254 /nfs/dbraw/zinc/13/32/54/1047133254.db2.gz CZFISPQALZTOQP-ZWKOTPCHSA-N 1 0 384.528 3.503 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001302919293 1047191255 /nfs/dbraw/zinc/19/12/55/1047191255.db2.gz FZKHIADMOGZHPE-JOCHJYFZSA-N 1 0 386.588 3.729 20 30 GHEDRO CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303030903 1047254769 /nfs/dbraw/zinc/25/47/69/1047254769.db2.gz YJFSNRJTSJNNOD-GHTZIAJQSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[NH+](C)C ZINC001303063002 1047267695 /nfs/dbraw/zinc/26/76/95/1047267695.db2.gz AELPIOGGFYGITP-GOSISDBHSA-N 1 0 393.539 3.533 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001264794879 1047449492 /nfs/dbraw/zinc/44/94/92/1047449492.db2.gz SGRXVIVLOQGPPV-PXNSSMCTSA-N 1 0 391.943 3.792 20 30 GHEDRO C[C@@H](CCn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCCC1 ZINC001303669639 1047472681 /nfs/dbraw/zinc/47/26/81/1047472681.db2.gz VIBYTZKDRBISTH-SFHVURJKSA-N 1 0 384.572 3.940 20 30 GHEDRO C=CCCCCCCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001279271655 1047752902 /nfs/dbraw/zinc/75/29/02/1047752902.db2.gz REYVINOEVAFCAX-UHFFFAOYSA-N 1 0 378.948 3.597 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)ccc1Br ZINC001279462475 1047817064 /nfs/dbraw/zinc/81/70/64/1047817064.db2.gz VIWOPKINYSMVDA-ROUUACIJSA-N 1 0 388.309 3.552 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(C3CC3)nnc2N(CCC#N)CC2CC2)C1 ZINC001305021844 1047839058 /nfs/dbraw/zinc/83/90/58/1047839058.db2.gz IDMDKVWCANCYFR-KRWDZBQOSA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001305029389 1047843263 /nfs/dbraw/zinc/84/32/63/1047843263.db2.gz DJSOPYAKSZUCQA-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO CC1CC[NH+](CCn2c(CC3CCCC3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001305110945 1047907627 /nfs/dbraw/zinc/90/76/27/1047907627.db2.gz UJOCVWLPJFVAIT-UHFFFAOYSA-N 1 0 398.599 3.873 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001463307797 1070977930 /nfs/dbraw/zinc/97/79/30/1070977930.db2.gz LJEFCMUUZQCXHQ-NQIIRXRSSA-N 1 0 384.545 3.747 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)C)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001286274230 1048247159 /nfs/dbraw/zinc/24/71/59/1048247159.db2.gz MXYVSEDYLGWOBE-IBGZPJMESA-N 1 0 379.552 3.894 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[NH+]1CCCCC1 ZINC001286278120 1048248737 /nfs/dbraw/zinc/24/87/37/1048248737.db2.gz LKZRORFOWCEFIA-MSOLQXFVSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286352338 1048284081 /nfs/dbraw/zinc/28/40/81/1048284081.db2.gz ZYWYVVPFAQVPMW-UHFFFAOYSA-N 1 0 399.970 3.714 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286368972 1048293943 /nfs/dbraw/zinc/29/39/43/1048293943.db2.gz XGGNKULNFVZFIQ-GOSISDBHSA-N 1 0 391.563 3.796 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001286437120 1048320997 /nfs/dbraw/zinc/32/09/97/1048320997.db2.gz IEXPXCNPVIFDOJ-HXUWFJFHSA-N 1 0 391.563 3.549 20 30 GHEDRO C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)C[NH+](C)C ZINC001286451350 1048330746 /nfs/dbraw/zinc/33/07/46/1048330746.db2.gz ZNJONCJATMFOHG-UHFFFAOYSA-N 1 0 397.567 3.521 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001286523252 1048348700 /nfs/dbraw/zinc/34/87/00/1048348700.db2.gz SGNCQFFPLORSPJ-NZQKXSOJSA-N 1 0 385.600 3.979 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001286523537 1048349068 /nfs/dbraw/zinc/34/90/68/1048349068.db2.gz YELNBGLSRHJHJL-ZJSXRUAMSA-N 1 0 391.563 3.670 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286579371 1048373243 /nfs/dbraw/zinc/37/32/43/1048373243.db2.gz NTQUISKAJUSAHH-HXUWFJFHSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(Cn1c(CC)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001286616701 1048389112 /nfs/dbraw/zinc/38/91/12/1048389112.db2.gz BPGGAVZXTKXRBP-SFHVURJKSA-N 1 0 379.552 3.865 20 30 GHEDRO C=C1CCN(c2nnc(C(C)C)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286637005 1048405002 /nfs/dbraw/zinc/40/50/02/1048405002.db2.gz QSTKTWXMGDBBCE-HXUWFJFHSA-N 1 0 383.540 3.869 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001286643840 1048409399 /nfs/dbraw/zinc/40/93/99/1048409399.db2.gz XPQKBGNQUKCJFO-UHFFFAOYSA-N 1 0 395.551 3.985 20 30 GHEDRO C=C1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001286647281 1048413817 /nfs/dbraw/zinc/41/38/17/1048413817.db2.gz CKKSEHXGMPYTGP-UHFFFAOYSA-N 1 0 393.535 3.584 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001286647670 1048415288 /nfs/dbraw/zinc/41/52/88/1048415288.db2.gz LWNYUSNURQVCPF-HXUWFJFHSA-N 1 0 383.515 3.649 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286650029 1048417803 /nfs/dbraw/zinc/41/78/03/1048417803.db2.gz VCMIEPPBSCSDNA-UHFFFAOYSA-N 1 0 395.551 3.806 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C)n2)n1CC[NH+](C(C)C)C(C)C)C1CC1 ZINC001286737682 1048495448 /nfs/dbraw/zinc/49/54/48/1048495448.db2.gz QEQXVUQZFYXNQX-UHFFFAOYSA-N 1 0 382.556 3.922 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1)C1CC1 ZINC001286738280 1048497330 /nfs/dbraw/zinc/49/73/30/1048497330.db2.gz XIPKEDNTHUOOPZ-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001286742702 1048500395 /nfs/dbraw/zinc/50/03/95/1048500395.db2.gz UBJVEQVKBIKWSP-NRFANRHFSA-N 1 0 390.535 3.560 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CCc2sccc2C1)C(C)C ZINC001286750826 1048504424 /nfs/dbraw/zinc/50/44/24/1048504424.db2.gz HTOAEJXJFRAHPG-LJQANCHMSA-N 1 0 385.581 3.909 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCC[C@@H]1C ZINC001286758275 1048511697 /nfs/dbraw/zinc/51/16/97/1048511697.db2.gz IFZXOQXQLDZVFW-SFHVURJKSA-N 1 0 383.515 3.671 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286759192 1048512822 /nfs/dbraw/zinc/51/28/22/1048512822.db2.gz LQRRMLXCXIVKAO-PMACEKPBSA-N 1 0 394.567 3.563 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001286766953 1048517347 /nfs/dbraw/zinc/51/73/47/1048517347.db2.gz ZONYYRRBRXFHRW-IBGZPJMESA-N 1 0 385.556 3.789 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001286777015 1048522766 /nfs/dbraw/zinc/52/27/66/1048522766.db2.gz SWDMIYNOSHZXJJ-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001286808282 1048534956 /nfs/dbraw/zinc/53/49/56/1048534956.db2.gz KJRVRHSUHVZMGS-UYAOXDASSA-N 1 0 387.572 3.591 20 30 GHEDRO CC(C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001287189838 1048640083 /nfs/dbraw/zinc/64/00/83/1048640083.db2.gz RACKEKKCACXSPV-SFHVURJKSA-N 1 0 380.540 3.662 20 30 GHEDRO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001287256219 1048686267 /nfs/dbraw/zinc/68/62/67/1048686267.db2.gz WOCWMOLYAWEIIM-OAQYLSRUSA-N 1 0 390.535 3.561 20 30 GHEDRO CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001287611673 1048849054 /nfs/dbraw/zinc/84/90/54/1048849054.db2.gz RMPYINPDMCSCHC-NRFANRHFSA-N 1 0 392.551 3.927 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)C[C@@H](C)C#N ZINC001306722483 1048849453 /nfs/dbraw/zinc/84/94/53/1048849453.db2.gz HXGSWHNUPZLUFH-RBUKOAKNSA-N 1 0 397.571 3.534 20 30 GHEDRO N#Cc1cc(F)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC001307073119 1049055446 /nfs/dbraw/zinc/05/54/46/1049055446.db2.gz QGFVKZUXLIZUCC-SJKOYZFVSA-N 1 0 378.289 3.913 20 30 GHEDRO N#Cc1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)cc1Br ZINC001307078182 1049058756 /nfs/dbraw/zinc/05/87/56/1049058756.db2.gz XNPSLKKMRSQNDZ-UHFFFAOYSA-N 1 0 392.341 3.650 20 30 GHEDRO COc1cccc(N2CC[NH+](CCSCc3ccc(OCC#N)cc3)CC2)c1 ZINC001307396480 1049244933 /nfs/dbraw/zinc/24/49/33/1049244933.db2.gz NVKCHLCRULBWCI-UHFFFAOYSA-N 1 0 397.544 3.653 20 30 GHEDRO CO[C@H](C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccc(F)cc1 ZINC001307451869 1049287326 /nfs/dbraw/zinc/28/73/26/1049287326.db2.gz UFKYGGKHWJJEOF-JOCHJYFZSA-N 1 0 390.462 3.755 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)c3ccccc3c2)CC1 ZINC001307719895 1049533695 /nfs/dbraw/zinc/53/36/95/1049533695.db2.gz UEAVLVXYSHRREW-UHFFFAOYSA-N 1 0 385.305 3.564 20 30 GHEDRO C=CCN1CC[C@H]([NH2+]C2(c3ccccc3Br)CCCCC2)C1=O ZINC001307768500 1049580342 /nfs/dbraw/zinc/58/03/42/1049580342.db2.gz UGESEJCFPMQQCU-KRWDZBQOSA-N 1 0 377.326 3.985 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001290095149 1049729102 /nfs/dbraw/zinc/72/91/02/1049729102.db2.gz YHUWSFQIEGIDPL-HKUYNNGSSA-N 1 0 392.507 3.888 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC001308017066 1049766761 /nfs/dbraw/zinc/76/67/61/1049766761.db2.gz RHZLZVSMFMADMN-FQEVSTJZSA-N 1 0 388.515 3.985 20 30 GHEDRO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001308042931 1049792513 /nfs/dbraw/zinc/79/25/13/1049792513.db2.gz GMWVLQJVFYNVGB-LJQANCHMSA-N 1 0 387.524 3.751 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)CCC1 ZINC001308102294 1049849115 /nfs/dbraw/zinc/84/91/15/1049849115.db2.gz YEWOPFHIPVQKHO-JOCHJYFZSA-N 1 0 386.923 3.672 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)COc3ccc4cc[nH]c4c3)CC2)cc1 ZINC001308113014 1049857907 /nfs/dbraw/zinc/85/79/07/1049857907.db2.gz AHJGVPJCKYGQNW-NRFANRHFSA-N 1 0 375.472 3.659 20 30 GHEDRO Cc1nnc(N(CCC#N)CC2CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001290743469 1049915136 /nfs/dbraw/zinc/91/51/36/1049915136.db2.gz OJRFVKVLTIFNRI-KRWDZBQOSA-N 1 0 380.540 3.846 20 30 GHEDRO Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001290761035 1049918977 /nfs/dbraw/zinc/91/89/77/1049918977.db2.gz NXERSRVVPAKDIF-UHFFFAOYSA-N 1 0 390.535 3.626 20 30 GHEDRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC001290883898 1049943250 /nfs/dbraw/zinc/94/32/50/1049943250.db2.gz JJEJPYGPUDODIA-UGKGYDQZSA-N 1 0 397.906 3.781 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC001308386531 1049964274 /nfs/dbraw/zinc/96/42/74/1049964274.db2.gz IDGRYIUQVCHYQC-INIZCTEOSA-N 1 0 380.326 3.740 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(Br)cc2C#N)C1 ZINC001290984169 1049964598 /nfs/dbraw/zinc/96/45/98/1049964598.db2.gz MACGGWNUMFCVQD-GJZGRUSLSA-N 1 0 392.341 3.809 20 30 GHEDRO C#CCC[C@H](O)C[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC001308507237 1049993079 /nfs/dbraw/zinc/99/30/79/1049993079.db2.gz KEBMGHDUOODTLW-FQEVSTJZSA-N 1 0 393.462 3.976 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001308518491 1049996892 /nfs/dbraw/zinc/99/68/92/1049996892.db2.gz DZKQFPOJACINDW-ZFWWWQNUSA-N 1 0 392.215 3.661 20 30 GHEDRO C#CCOc1cccc(Cl)c1CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC001308920230 1050170058 /nfs/dbraw/zinc/17/00/58/1050170058.db2.gz YVMBOAIQQVGNEZ-UHFFFAOYSA-N 1 0 378.944 3.675 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001308962615 1050223711 /nfs/dbraw/zinc/22/37/11/1050223711.db2.gz LSFANTCQZLICDB-SJLPKXTDSA-N 1 0 386.540 3.607 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC4(CC[NH2+]CC4)C3)cn2)c1 ZINC001328679722 1050589592 /nfs/dbraw/zinc/58/95/92/1050589592.db2.gz AAIBYDIGNCONIA-UHFFFAOYSA-N 1 0 391.475 3.743 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001310371344 1051314052 /nfs/dbraw/zinc/31/40/52/1051314052.db2.gz IMVWZWYCFWSEMC-HZPDHXFCSA-N 1 0 375.488 3.716 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001310374372 1051316512 /nfs/dbraw/zinc/31/65/12/1051316512.db2.gz OHDSZLVTDGPGPH-QHCPKHFHSA-N 1 0 395.478 3.871 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)Nc2cc(F)cc(C#N)c2)[C@@H](C)C1 ZINC001311104474 1051860100 /nfs/dbraw/zinc/86/01/00/1051860100.db2.gz VPSSQYJDBQQYJR-INIZCTEOSA-N 1 0 396.466 3.834 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)SCC(=O)N2)C(C)C ZINC001311121504 1051876465 /nfs/dbraw/zinc/87/64/65/1051876465.db2.gz JNGBEVFDSBLYOE-KRWDZBQOSA-N 1 0 388.537 3.551 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+]Cc2ccc(CC#N)cc2)c(OC)cc1Cl ZINC001335511651 1052121022 /nfs/dbraw/zinc/12/10/22/1052121022.db2.gz FAPCJPGEDDVLDJ-UHFFFAOYSA-N 1 0 387.867 3.542 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC001311454054 1052164446 /nfs/dbraw/zinc/16/44/46/1052164446.db2.gz MFHGRBVXEZKNEU-HXUWFJFHSA-N 1 0 389.543 3.946 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001311666103 1052313716 /nfs/dbraw/zinc/31/37/16/1052313716.db2.gz NPAXUPRXEROSPE-QIJUGHKUSA-N 1 0 385.552 3.841 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001311671508 1052317703 /nfs/dbraw/zinc/31/77/03/1052317703.db2.gz AEFTYFNDGSOLKC-AINOVGTFSA-N 1 0 382.552 3.834 20 30 GHEDRO C=C(Br)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001311757807 1052377797 /nfs/dbraw/zinc/37/77/97/1052377797.db2.gz USGAOVOFWFJUTJ-XHSDSOJGSA-N 1 0 380.330 3.588 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC001311993588 1052519154 /nfs/dbraw/zinc/51/91/54/1052519154.db2.gz KGLXJNMWYKCYIC-IBGZPJMESA-N 1 0 385.552 3.763 20 30 GHEDRO C#Cc1cccc(CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001312313038 1052689672 /nfs/dbraw/zinc/68/96/72/1052689672.db2.gz DCJGKEVXGQKBQZ-CVDCTZTESA-N 1 0 375.516 3.768 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(C(C)(C)C#N)n2CCc2ccccc2)CC1 ZINC001342354531 1053124939 /nfs/dbraw/zinc/12/49/39/1053124939.db2.gz RHRREMBSNNYYLG-UHFFFAOYSA-N 1 0 394.567 3.633 20 30 GHEDRO CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1 ZINC001313685954 1053171314 /nfs/dbraw/zinc/17/13/14/1053171314.db2.gz QZZGCWMEZBTQRP-UHFFFAOYSA-N 1 0 375.480 3.560 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H]1C ZINC001313712261 1053185731 /nfs/dbraw/zinc/18/57/31/1053185731.db2.gz MLKBQAYCAQNVMP-ZWKOTPCHSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCn1c([C@H](O)CC2CCCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001342472990 1053188654 /nfs/dbraw/zinc/18/86/54/1053188654.db2.gz SHXCBZDNUKFOFZ-WOJBJXKFSA-N 1 0 389.588 3.636 20 30 GHEDRO C#CC[C@H](CC)c1nnc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1CC ZINC001342521756 1053215187 /nfs/dbraw/zinc/21/51/87/1053215187.db2.gz ZZCXNKQZPFJIGI-HNNXBMFYSA-N 1 0 385.478 3.668 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001313887568 1053271955 /nfs/dbraw/zinc/27/19/55/1053271955.db2.gz VPPVVWPXIMJATQ-LJQANCHMSA-N 1 0 392.551 3.725 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001342652671 1053285086 /nfs/dbraw/zinc/28/50/86/1053285086.db2.gz CGKAXHLWHDGRBQ-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[NH+](CC)CC)C2)nnc1C1(C#N)CCCCC1 ZINC001342664209 1053288019 /nfs/dbraw/zinc/28/80/19/1053288019.db2.gz HRJGOPKIHMZAGW-LJQANCHMSA-N 1 0 384.572 3.748 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+]Cc3cccc(OCC#N)c3)C2)CC1 ZINC001342780639 1053353258 /nfs/dbraw/zinc/35/32/58/1053353258.db2.gz YGNLZBAWFRLUCL-UHFFFAOYSA-N 1 0 385.508 3.858 20 30 GHEDRO CCn1c(N2CCC[C@@H](C#N)C2)nnc1[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001343002329 1053489902 /nfs/dbraw/zinc/48/99/02/1053489902.db2.gz RQZYHDQESBKMES-KGVIQGDOSA-N 1 0 396.514 3.670 20 30 GHEDRO CCc1ccc(NC(=O)[C@H](C#N)C(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001343386134 1053741182 /nfs/dbraw/zinc/74/11/82/1053741182.db2.gz JREYSRVEHHQBOD-JOCHJYFZSA-N 1 0 389.499 3.809 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001343492121 1053809407 /nfs/dbraw/zinc/80/94/07/1053809407.db2.gz VJXYKCQTXHHXSK-RTBURBONSA-N 1 0 389.588 3.836 20 30 GHEDRO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001343575939 1053901735 /nfs/dbraw/zinc/90/17/35/1053901735.db2.gz KIACIHZVCZEQOH-RBUKOAKNSA-N 1 0 391.523 3.627 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001343627889 1053935786 /nfs/dbraw/zinc/93/57/86/1053935786.db2.gz AYLBFFGSZFKCHU-UHFFFAOYSA-N 1 0 384.528 3.581 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001343677175 1053966954 /nfs/dbraw/zinc/96/69/54/1053966954.db2.gz TUHMFBKYRYQBBC-UXHICEINSA-N 1 0 394.567 3.713 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001343752759 1054000186 /nfs/dbraw/zinc/00/01/86/1054000186.db2.gz WITIKGVNJJUMCX-GGPKGHCWSA-N 1 0 382.556 3.715 20 30 GHEDRO C=C(C)Cn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CC2CC1(C)C2 ZINC001343797044 1054033613 /nfs/dbraw/zinc/03/36/13/1054033613.db2.gz RBMJMJUNPOWICP-UHFFFAOYSA-N 1 0 392.551 3.930 20 30 GHEDRO C[N@@H+]1CCC[C@@H](c2nnc(N3Cc4cccc(C#N)c4C3)n2Cc2ccccc2)C1 ZINC001343907593 1054106942 /nfs/dbraw/zinc/10/69/42/1054106942.db2.gz OICPZIQTUMJNHG-OAQYLSRUSA-N 1 0 398.514 3.527 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@H]2N(C)C)cc1OC ZINC001318502399 1054682569 /nfs/dbraw/zinc/68/25/69/1054682569.db2.gz GISTUSGRNZEWEF-DLBZAZTESA-N 1 0 397.357 3.985 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1cccs1 ZINC001344771575 1054733196 /nfs/dbraw/zinc/73/31/96/1054733196.db2.gz KKSBGDFYFZAWCR-QGZVFWFLSA-N 1 0 398.580 3.545 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)CCC#N)n2Cc2cccs2)C[C@H]1C ZINC001344772472 1054734679 /nfs/dbraw/zinc/73/46/79/1054734679.db2.gz PTYPUGFHLNHONF-ZACQAIPSSA-N 1 0 386.569 3.714 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCN(c2nnc(CCCCC#N)n2CC2CC2)CC1 ZINC001345086199 1054896840 /nfs/dbraw/zinc/89/68/40/1054896840.db2.gz HZBUBCUFMNFHSH-LJQANCHMSA-N 1 0 392.551 3.808 20 30 GHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(CC#N)cc2)c2ccccc2)CC1 ZINC001318893637 1054939026 /nfs/dbraw/zinc/93/90/26/1054939026.db2.gz MVBVQGRDZJOJMT-JOCHJYFZSA-N 1 0 397.544 3.504 20 30 GHEDRO C#CC[C@@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)c1ccccc1 ZINC001319515817 1055299981 /nfs/dbraw/zinc/29/99/81/1055299981.db2.gz QYQKFSKFVGLKCM-OAQYLSRUSA-N 1 0 376.504 3.633 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[NH+]2CC=CC2)cc1Cl ZINC001319703344 1055411311 /nfs/dbraw/zinc/41/13/11/1055411311.db2.gz ZFXDQSSNYMUYRG-IBGZPJMESA-N 1 0 380.879 3.989 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001320469105 1055819326 /nfs/dbraw/zinc/81/93/26/1055819326.db2.gz CWDYJHLMBYDRLB-SFHVURJKSA-N 1 0 382.891 3.746 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC001320690889 1055930124 /nfs/dbraw/zinc/93/01/24/1055930124.db2.gz VGTUFIFKCIIPLC-NGEICVOHSA-N 1 0 391.298 3.947 20 30 GHEDRO C#CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001300457421 1056164446 /nfs/dbraw/zinc/16/44/46/1056164446.db2.gz CWPGNYKXBAAKKH-NHCUHLMSSA-N 1 0 395.551 3.672 20 30 GHEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001354347825 1056549791 /nfs/dbraw/zinc/54/97/91/1056549791.db2.gz UMRNQMKUKLIFEA-WTIAFYNJSA-N 1 0 399.579 3.926 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+](C)CCCC ZINC001300606182 1056620745 /nfs/dbraw/zinc/62/07/45/1056620745.db2.gz IJVBIRNZEZUEGS-UHFFFAOYSA-N 1 0 379.508 3.883 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2OC)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300616839 1056674499 /nfs/dbraw/zinc/67/44/99/1056674499.db2.gz NVVABIAGIFZIGQ-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001300628813 1056719166 /nfs/dbraw/zinc/71/91/66/1056719166.db2.gz BDRRTAMTABCHAP-NRFANRHFSA-N 1 0 397.542 3.732 20 30 GHEDRO C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300634199 1056735966 /nfs/dbraw/zinc/73/59/66/1056735966.db2.gz WYVKQMNELQPOMV-JOCHJYFZSA-N 1 0 393.579 3.643 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300648497 1056767231 /nfs/dbraw/zinc/76/72/31/1056767231.db2.gz FFICMFLDZUZWFD-RTBURBONSA-N 1 0 397.542 3.740 20 30 GHEDRO C[NH+]1CCN(c2ccccc2C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 ZINC001324701618 1057206799 /nfs/dbraw/zinc/20/67/99/1057206799.db2.gz IPHYOIMBJQCPGO-OAQYLSRUSA-N 1 0 390.531 3.731 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001355862469 1057297191 /nfs/dbraw/zinc/29/71/91/1057297191.db2.gz BCYVYNWUYBNBDK-QUCCMNQESA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001355877943 1057303096 /nfs/dbraw/zinc/30/30/96/1057303096.db2.gz ZRDJXNUMTVOYGJ-QGZVFWFLSA-N 1 0 381.515 3.924 20 30 GHEDRO C=CCn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1C(C)(C)c1nccs1 ZINC001356112830 1057394290 /nfs/dbraw/zinc/39/42/90/1057394290.db2.gz ZESWATANVKOTHH-UHFFFAOYSA-N 1 0 388.585 3.557 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC001326156062 1057424210 /nfs/dbraw/zinc/42/42/10/1057424210.db2.gz LRAJHHJTEJXZQN-INIZCTEOSA-N 1 0 386.858 3.548 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1[C@]1(C)CCC=CO1 ZINC001356238783 1057443034 /nfs/dbraw/zinc/44/30/34/1057443034.db2.gz LBNDKBZTAOWNMR-NOXFTYBFSA-N 1 0 397.567 3.847 20 30 GHEDRO C=C(C)Cn1c(-c2sc(C)nc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001356316938 1057470147 /nfs/dbraw/zinc/47/01/47/1057470147.db2.gz GXWCABOXSBOVIK-KRWDZBQOSA-N 1 0 388.585 3.763 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SCC)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001356509913 1057532828 /nfs/dbraw/zinc/53/28/28/1057532828.db2.gz AHVAZLINMBIGML-INDMIFKZSA-N 1 0 391.629 3.705 20 30 GHEDRO CN(C)C(NCc1ccccc1)=[NH+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000849069832 1057580015 /nfs/dbraw/zinc/58/00/15/1057580015.db2.gz YEDLNDPKHBDKSA-UHFFFAOYSA-N 1 0 379.430 3.610 20 30 GHEDRO C#Cc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1 ZINC001337990080 1058361582 /nfs/dbraw/zinc/36/15/82/1058361582.db2.gz NTYJQXHGRJJJPV-INIZCTEOSA-N 1 0 375.472 3.605 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@H]2C1 ZINC001440196917 1058460062 /nfs/dbraw/zinc/46/00/62/1058460062.db2.gz IPARXOZYLQUFSW-NYVOZVTQSA-N 1 0 375.472 3.615 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001440675645 1058577156 /nfs/dbraw/zinc/57/71/56/1058577156.db2.gz XDJWUSBFLZUINT-NRFANRHFSA-N 1 0 379.504 3.697 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC2(CCO2)CC1 ZINC001338694296 1058734884 /nfs/dbraw/zinc/73/48/84/1058734884.db2.gz VJRKHMRIUAUPGL-IBGZPJMESA-N 1 0 385.556 3.693 20 30 GHEDRO C=CCn1c([C@@H](C)c2c(C)n[nH]c2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001338930370 1058886526 /nfs/dbraw/zinc/88/65/26/1058886526.db2.gz KBSYQXLJBXDYGK-INIZCTEOSA-N 1 0 399.587 3.512 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001442078144 1058912754 /nfs/dbraw/zinc/91/27/54/1058912754.db2.gz DCMNBRNNRKUBOR-FGSXEWAUSA-N 1 0 395.588 3.863 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001339232259 1059027128 /nfs/dbraw/zinc/02/71/28/1059027128.db2.gz AOZFXEPNUKIZIP-SJLPKXTDSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCCC)CC1 ZINC001443532417 1059143079 /nfs/dbraw/zinc/14/30/79/1059143079.db2.gz FYBXCCCGCNUBST-GOSISDBHSA-N 1 0 381.561 3.617 20 30 GHEDRO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339775594 1059460731 /nfs/dbraw/zinc/46/07/31/1059460731.db2.gz WULNFUQDEXLEPS-QGZVFWFLSA-N 1 0 377.577 3.897 20 30 GHEDRO C=CCn1c(COC2CCC2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001340281533 1059821490 /nfs/dbraw/zinc/82/14/90/1059821490.db2.gz XIXHWYJNLCDIFQ-UHFFFAOYSA-N 1 0 387.572 3.768 20 30 GHEDRO C=CCn1c([C@@H](CC)[C@H](O)c2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001340414107 1059919324 /nfs/dbraw/zinc/91/93/24/1059919324.db2.gz FQLUDSWPQKYPPI-LEWJYISDSA-N 1 0 397.567 3.612 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340431590 1059928331 /nfs/dbraw/zinc/92/83/31/1059928331.db2.gz UHFIDLDUYCZDIP-NRDMVMEKSA-N 1 0 399.583 3.590 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CCCC2(CC2)C1 ZINC001340515795 1059958668 /nfs/dbraw/zinc/95/86/68/1059958668.db2.gz FVBQCJUHXGTTNZ-UXHICEINSA-N 1 0 377.536 3.657 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)c1ccc(C)cc1 ZINC001340634530 1060006033 /nfs/dbraw/zinc/00/60/33/1060006033.db2.gz GYJXAWOFDTXBPY-HXUWFJFHSA-N 1 0 381.524 3.856 20 30 GHEDRO CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC001447807013 1060040077 /nfs/dbraw/zinc/04/00/77/1060040077.db2.gz YNCWHWGCJBQUBW-UHFFFAOYSA-N 1 0 398.528 3.578 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001341711789 1060827810 /nfs/dbraw/zinc/82/78/10/1060827810.db2.gz IIXFANNONUMPOW-KRWDZBQOSA-N 1 0 398.555 3.863 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001341711790 1060827923 /nfs/dbraw/zinc/82/79/23/1060827923.db2.gz IIXFANNONUMPOW-QGZVFWFLSA-N 1 0 398.555 3.863 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1C1(C#N)CCCC1 ZINC001341987928 1060983239 /nfs/dbraw/zinc/98/32/39/1060983239.db2.gz CMUYRFADKVWJMU-UHFFFAOYSA-N 1 0 384.572 3.746 20 30 GHEDRO C=C(C)Cn1c(Cc2ncccc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001342101296 1061056598 /nfs/dbraw/zinc/05/65/98/1061056598.db2.gz XJGAGGPNHCYUKW-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC=NO2)nnc1N1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001342123694 1061070111 /nfs/dbraw/zinc/07/01/11/1061070111.db2.gz ZVFHJTPSSVAQLA-FUHWJXTLSA-N 1 0 397.527 3.637 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001342210840 1061139220 /nfs/dbraw/zinc/13/92/20/1061139220.db2.gz ULCQMXGXRHGNQD-MSOLQXFVSA-N 1 0 377.554 3.508 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361202321 1061719552 /nfs/dbraw/zinc/71/95/52/1061719552.db2.gz NVCZSNNJTMGOIP-QGZVFWFLSA-N 1 0 396.539 3.709 20 30 GHEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)CC#N)[NH+](C)C ZINC001545814588 1062019976 /nfs/dbraw/zinc/01/99/76/1062019976.db2.gz DAMXDIKEXMSRJQ-WDSOQIARSA-N 1 0 390.576 3.624 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001435565924 1062739076 /nfs/dbraw/zinc/73/90/76/1062739076.db2.gz KLEDKKYBALHUEU-AABGKKOBSA-N 1 0 375.516 3.858 20 30 GHEDRO N#CCCCCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1cccs1 ZINC001348402910 1063055415 /nfs/dbraw/zinc/05/54/15/1063055415.db2.gz YREOGMJLWYMRSV-UHFFFAOYSA-N 1 0 398.580 3.689 20 30 GHEDRO COC(=O)c1ccc(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C#N)n1 ZINC001458111723 1063573948 /nfs/dbraw/zinc/57/39/48/1063573948.db2.gz KSSUDSWMCNHHKN-CALCHBBNSA-N 1 0 392.503 3.830 20 30 GHEDRO N#CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCCC1 ZINC001436630708 1063579017 /nfs/dbraw/zinc/57/90/17/1063579017.db2.gz CFXCYWPBDRFIBE-FCHUYYIVSA-N 1 0 391.490 3.994 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)c(F)c1 ZINC001437014773 1063737244 /nfs/dbraw/zinc/73/72/44/1063737244.db2.gz CPDIEZCSMYHIIF-PZJWPPBQSA-N 1 0 381.426 3.718 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 ZINC001349785980 1063911778 /nfs/dbraw/zinc/91/17/78/1063911778.db2.gz BGBJPPCYGUYRHH-UHFFFAOYSA-N 1 0 384.524 3.529 20 30 GHEDRO CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC001350055928 1063975136 /nfs/dbraw/zinc/97/51/36/1063975136.db2.gz CORKTMQCAXCFAV-VQTJNVASSA-N 1 0 389.503 3.598 20 30 GHEDRO C#CC[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC001459393409 1064084691 /nfs/dbraw/zinc/08/46/91/1064084691.db2.gz ROUAQDXQJDKJBS-KRWDZBQOSA-N 1 0 384.289 3.596 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCc3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 ZINC001459432606 1064097538 /nfs/dbraw/zinc/09/75/38/1064097538.db2.gz KPRYVOZMJSOCJY-UHFFFAOYSA-N 1 0 393.384 3.961 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC001438881313 1064130838 /nfs/dbraw/zinc/13/08/38/1064130838.db2.gz HQZFPOWKKGIOJO-JOCHJYFZSA-N 1 0 391.515 3.717 20 30 GHEDRO CCc1ccc(CC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC001459695091 1064174153 /nfs/dbraw/zinc/17/41/53/1064174153.db2.gz RFWYREZJPVKCLB-UHFFFAOYSA-N 1 0 376.460 3.733 20 30 GHEDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001459771597 1064209460 /nfs/dbraw/zinc/20/94/60/1064209460.db2.gz YOECRSNHQNFBKJ-ZIAGYGMSSA-N 1 0 377.579 3.901 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2C)CC1 ZINC001350961694 1064228202 /nfs/dbraw/zinc/22/82/02/1064228202.db2.gz JKQAQUQUFVWXLK-QHCPKHFHSA-N 1 0 396.583 3.775 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459969249 1064309175 /nfs/dbraw/zinc/30/91/75/1064309175.db2.gz JAQRDETXRIVYEF-WBVHZDCISA-N 1 0 398.425 3.783 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459978811 1064315624 /nfs/dbraw/zinc/31/56/24/1064315624.db2.gz FTMNVLWQCIFPGV-GOSISDBHSA-N 1 0 381.561 3.501 20 30 GHEDRO CCOc1ccccc1CN1CC[N@H+](CCCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001460007495 1064339885 /nfs/dbraw/zinc/33/98/85/1064339885.db2.gz RJOZXELCBQJUQK-FQEVSTJZSA-N 1 0 393.531 3.932 20 30 GHEDRO C=C(C)C[N@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1 ZINC001460055209 1064381048 /nfs/dbraw/zinc/38/10/48/1064381048.db2.gz MVYINWANUAZNIQ-UHFFFAOYSA-N 1 0 391.515 3.986 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3(C#N)CCCCC3)n2CC2CC2)C1 ZINC001351360292 1064404096 /nfs/dbraw/zinc/40/40/96/1064404096.db2.gz SNHPIKWZHPDNDP-IBGZPJMESA-N 1 0 384.572 3.582 20 30 GHEDRO C=CCn1c(Cc2ccc3ccccc3n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001351937601 1064717989 /nfs/dbraw/zinc/71/79/89/1064717989.db2.gz BOYWPVSQZVUZFN-UHFFFAOYSA-N 1 0 390.535 3.570 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001352151556 1064886917 /nfs/dbraw/zinc/88/69/17/1064886917.db2.gz ONBBWLBZKNSGGT-FUHWJXTLSA-N 1 0 385.512 3.570 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)C(=O)/C=C/c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC001464581950 1065094762 /nfs/dbraw/zinc/09/47/62/1065094762.db2.gz FPZDUJLUIPGCIP-LNYGYFNRSA-N 1 0 380.463 3.670 20 30 GHEDRO C=C[C@@](C)(O)CC(=O)N(CC[NH+](CC)CC)Cc1ccc(Cl)c(Cl)c1 ZINC001464640432 1065128870 /nfs/dbraw/zinc/12/88/70/1065128870.db2.gz XSZWNXFDFAINTF-LJQANCHMSA-N 1 0 387.351 3.991 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(C)C ZINC001464867529 1065251735 /nfs/dbraw/zinc/25/17/35/1065251735.db2.gz BWUDKTWSGUXTBP-PKOBYXMFSA-N 1 0 376.928 3.706 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001465768972 1065840797 /nfs/dbraw/zinc/84/07/97/1065840797.db2.gz FIKUBYZNHAJZDO-RBBKRZOGSA-N 1 0 389.499 3.694 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+](CC)C(C)C ZINC001300293185 1065940898 /nfs/dbraw/zinc/94/08/98/1065940898.db2.gz OXXZGSPGCQFGJR-GOSISDBHSA-N 1 0 390.535 3.682 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300294883 1065944438 /nfs/dbraw/zinc/94/44/38/1065944438.db2.gz ALUZMVFADJEWOK-UFYCRDLUSA-N 1 0 394.567 3.556 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300296049 1065946517 /nfs/dbraw/zinc/94/65/17/1065946517.db2.gz QIBCHMJXAFSVCI-AZUAARDMSA-N 1 0 392.551 3.595 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CC[N@@H+](CC)C(C)C ZINC001300321823 1065986829 /nfs/dbraw/zinc/98/68/29/1065986829.db2.gz OFTXLHPYUBMJIN-FQEVSTJZSA-N 1 0 397.567 3.662 20 30 GHEDRO CC(C)Oc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000847745976 1066019922 /nfs/dbraw/zinc/01/99/22/1066019922.db2.gz UUFWFUCNKUMDRE-UHFFFAOYSA-N 1 0 393.487 3.832 20 30 GHEDRO Cc1cc(C)n([C@H](C)CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000847745772 1066020530 /nfs/dbraw/zinc/02/05/30/1066020530.db2.gz OSPFWTJQDGIHDP-HXUWFJFHSA-N 1 0 394.519 3.800 20 30 GHEDRO N#CC1(COC(=O)c2ccc3nsnc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000847747741 1066034212 /nfs/dbraw/zinc/03/42/12/1066034212.db2.gz PMLLKYGHGSZGGQ-UHFFFAOYSA-N 1 0 392.484 3.654 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC001466343922 1066104018 /nfs/dbraw/zinc/10/40/18/1066104018.db2.gz YLSFSNAGRFGGHB-UHFFFAOYSA-N 1 0 384.402 3.793 20 30 GHEDRO C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300366658 1066114403 /nfs/dbraw/zinc/11/44/03/1066114403.db2.gz ONDYASNERTWMPQ-UHFFFAOYSA-N 1 0 397.542 3.778 20 30 GHEDRO C=CC[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001466522682 1066179025 /nfs/dbraw/zinc/17/90/25/1066179025.db2.gz UDSKKWQLFCQXBV-YFNKSVMNSA-N 1 0 392.543 3.511 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC001466569305 1066195806 /nfs/dbraw/zinc/19/58/06/1066195806.db2.gz ISBPYJARJLFTFU-UHFFFAOYSA-N 1 0 378.501 3.786 20 30 GHEDRO Cc1cnc(OC(C)C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC001466639884 1066226677 /nfs/dbraw/zinc/22/66/77/1066226677.db2.gz MEJBDHKTHNMMFP-UHFFFAOYSA-N 1 0 395.507 3.645 20 30 GHEDRO C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300412919 1066262625 /nfs/dbraw/zinc/26/26/25/1066262625.db2.gz JOJQFISOHHXGKS-UHFFFAOYSA-N 1 0 379.552 3.511 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1CC[N@@H+](C)CCCC ZINC001300438775 1066332584 /nfs/dbraw/zinc/33/25/84/1066332584.db2.gz VLHQCZCDZCXMQX-UHFFFAOYSA-N 1 0 390.535 3.603 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001466817182 1066334505 /nfs/dbraw/zinc/33/45/05/1066334505.db2.gz WZWJWLRIIZXPGT-HNNXBMFYSA-N 1 0 396.329 3.960 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2cccc(C#N)n2)C1 ZINC001466941003 1066403749 /nfs/dbraw/zinc/40/37/49/1066403749.db2.gz KLQFJIXHECLCGX-IRXDYDNUSA-N 1 0 377.492 3.753 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001466995362 1066434733 /nfs/dbraw/zinc/43/47/33/1066434733.db2.gz APZNCXAOYBXQLS-MSOLQXFVSA-N 1 0 391.475 3.754 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C)c(C#N)cn1)[NH+]1CCCCC1 ZINC001467113266 1067075958 /nfs/dbraw/zinc/07/59/58/1067075958.db2.gz YIKWFJDHTQZLGD-LJQANCHMSA-N 1 0 393.491 3.619 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC001467196951 1067143223 /nfs/dbraw/zinc/14/32/23/1067143223.db2.gz ZUKQFWUGKJCTNU-YJBOKZPZSA-N 1 0 396.457 3.973 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001467240696 1067172211 /nfs/dbraw/zinc/17/22/11/1067172211.db2.gz MSPRBGQTWRBUNA-GOSISDBHSA-N 1 0 380.467 3.692 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc(Cl)n1 ZINC001467366266 1067253748 /nfs/dbraw/zinc/25/37/48/1067253748.db2.gz NBNOGBUGOUFYCQ-UHFFFAOYSA-N 1 0 383.883 3.701 20 30 GHEDRO C=C(C)c1cccc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001467478319 1067317884 /nfs/dbraw/zinc/31/78/84/1067317884.db2.gz QXWYWJVGIUILIT-HSZRJFAPSA-N 1 0 379.504 3.820 20 30 GHEDRO C=CC[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC001467648363 1067400172 /nfs/dbraw/zinc/40/01/72/1067400172.db2.gz SNMGJMQZMFRFJA-OAQYLSRUSA-N 1 0 384.568 3.505 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)C(C)C ZINC001467660365 1067404709 /nfs/dbraw/zinc/40/47/09/1067404709.db2.gz OCVVJSUKWPTMOJ-AYWYSENESA-N 1 0 387.955 3.976 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)NCc2ccc(SC)c(C#N)c2)[NH+](C)C)cc1 ZINC001468017067 1067566529 /nfs/dbraw/zinc/56/65/29/1067566529.db2.gz GGKIJBGPXOCWRD-HXUWFJFHSA-N 1 0 396.560 3.945 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001358877337 1067591291 /nfs/dbraw/zinc/59/12/91/1067591291.db2.gz BUTFWROLRRCFMB-LAUBAEHRSA-N 1 0 392.551 3.641 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001358887262 1067597121 /nfs/dbraw/zinc/59/71/21/1067597121.db2.gz SMRQVRXPFBAOQJ-GHTZIAJQSA-N 1 0 377.536 3.841 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)C)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001358891908 1067598899 /nfs/dbraw/zinc/59/88/99/1067598899.db2.gz OTUULJGDBCIOGI-VQTJNVASSA-N 1 0 381.568 3.845 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358893341 1067599509 /nfs/dbraw/zinc/59/95/09/1067599509.db2.gz SDVNWQYPKWVHBM-QYZOEREBSA-N 1 0 397.542 3.586 20 30 GHEDRO C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001358923089 1067614742 /nfs/dbraw/zinc/61/47/42/1067614742.db2.gz BGYAJFSVOIMXKX-GHTZIAJQSA-N 1 0 377.536 3.594 20 30 GHEDRO C#CCCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001358931621 1067618216 /nfs/dbraw/zinc/61/82/16/1067618216.db2.gz HTINHZIOLCFSGZ-LJQANCHMSA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001358941103 1067622746 /nfs/dbraw/zinc/62/27/46/1067622746.db2.gz YHWATALMTFQLLJ-IBGZPJMESA-N 1 0 385.943 3.932 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCC[N@@H+](C)C(C)C ZINC001358942635 1067623373 /nfs/dbraw/zinc/62/33/73/1067623373.db2.gz CEUUJYHHZFJQPC-UHFFFAOYSA-N 1 0 377.895 3.537 20 30 GHEDRO C#CCN(CC#C)c1nnc(C2CCCC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001358977183 1067633103 /nfs/dbraw/zinc/63/31/03/1067633103.db2.gz GINNXJWJWYECMN-HXUWFJFHSA-N 1 0 381.568 3.663 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC[NH+](C(C)C)C(C)C ZINC001358996813 1067641715 /nfs/dbraw/zinc/64/17/15/1067641715.db2.gz SROLIMKDXJZBFZ-UHFFFAOYSA-N 1 0 383.584 3.593 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001468288668 1067669822 /nfs/dbraw/zinc/66/98/22/1067669822.db2.gz TXAKQLMWOUCDFU-IBGZPJMESA-N 1 0 380.492 3.609 20 30 GHEDRO C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359083959 1067677798 /nfs/dbraw/zinc/67/77/98/1067677798.db2.gz VHKYJRXWCFZASC-UHFFFAOYSA-N 1 0 396.377 3.811 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)[NH+](C)C ZINC001359107353 1067687420 /nfs/dbraw/zinc/68/74/20/1067687420.db2.gz KBHFGSNTTIZVOL-SJORKVTESA-N 1 0 389.519 3.910 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)[NH+](C)C ZINC001359116103 1067694446 /nfs/dbraw/zinc/69/44/46/1067694446.db2.gz XXFPWFXUBKYTST-SFHVURJKSA-N 1 0 380.540 3.634 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359118425 1067695862 /nfs/dbraw/zinc/69/58/62/1067695862.db2.gz IUJIWZITYSMWBT-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359151929 1067712537 /nfs/dbraw/zinc/71/25/37/1067712537.db2.gz HDLKHAXYQIHACP-HOTGVXAUSA-N 1 0 391.922 3.679 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001359161858 1067717765 /nfs/dbraw/zinc/71/77/65/1067717765.db2.gz TYCCSJAVVKPETL-UHFFFAOYSA-N 1 0 390.535 3.849 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001359166998 1067721397 /nfs/dbraw/zinc/72/13/97/1067721397.db2.gz PSABTMUUTBJENO-UHFFFAOYSA-N 1 0 394.567 3.686 20 30 GHEDRO C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCC[NH+](CC)CC)CC1 ZINC001359167172 1067721409 /nfs/dbraw/zinc/72/14/09/1067721409.db2.gz WCVRKCPSPFHGAD-UHFFFAOYSA-N 1 0 388.585 3.522 20 30 GHEDRO C[NH+]=C(NCCCCCCc1nc(-c2ccc(Cl)cc2)no1)NC1CC1 ZINC000849098028 1067725398 /nfs/dbraw/zinc/72/53/98/1067725398.db2.gz VXXCIKATORBBOR-UHFFFAOYSA-N 1 0 375.904 3.820 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cc(C)nc(N2CCCC2)n1 ZINC000849103488 1067729844 /nfs/dbraw/zinc/72/98/44/1067729844.db2.gz RUXROUPBPCXYIT-UHFFFAOYSA-N 1 0 394.567 3.729 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001359176361 1067734133 /nfs/dbraw/zinc/73/41/33/1067734133.db2.gz VITQZXUBNFPHDF-KRWDZBQOSA-N 1 0 390.535 3.846 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001359176700 1067735397 /nfs/dbraw/zinc/73/53/97/1067735397.db2.gz KUEOATDASMCCMS-HXUWFJFHSA-N 1 0 383.515 3.827 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359190690 1067756967 /nfs/dbraw/zinc/75/69/67/1067756967.db2.gz ZPSCRWIXUXSHCF-RTBURBONSA-N 1 0 396.583 3.785 20 30 GHEDRO C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001359210923 1067783493 /nfs/dbraw/zinc/78/34/93/1067783493.db2.gz MYSZMGJRLIZRQL-HXUWFJFHSA-N 1 0 392.551 3.951 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001359235439 1067839696 /nfs/dbraw/zinc/83/96/96/1067839696.db2.gz ZTJIXOHDFONHHM-KRWDZBQOSA-N 1 0 390.963 3.982 20 30 GHEDRO C=CCN(c1nnc(-c2cccc3cccnc32)n1C[C@@H](C)[NH+](C)C)C1CC1 ZINC001359248862 1067893435 /nfs/dbraw/zinc/89/34/35/1067893435.db2.gz FQZBBQDEEXMVRK-MRXNPFEDSA-N 1 0 376.508 3.598 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001468874897 1067915173 /nfs/dbraw/zinc/91/51/73/1067915173.db2.gz DNQSVFPPDWYFBI-ICSRJNTNSA-N 1 0 377.573 3.844 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCC[NH+]1CCCCC1 ZINC001359256871 1067916188 /nfs/dbraw/zinc/91/61/88/1067916188.db2.gz SETBJATXDABSKM-UHFFFAOYSA-N 1 0 392.551 3.781 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001359275547 1067944403 /nfs/dbraw/zinc/94/44/03/1067944403.db2.gz XHVFLVDMYWWUHP-FQEVSTJZSA-N 1 0 379.552 3.732 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359470328 1068066731 /nfs/dbraw/zinc/06/67/31/1068066731.db2.gz VXNYJRDVXPMPBS-AEFFLSMTSA-N 1 0 394.548 3.905 20 30 GHEDRO CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001359686795 1068132658 /nfs/dbraw/zinc/13/26/58/1068132658.db2.gz RCBBMFKTABWSLI-SFHVURJKSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359695283 1068138439 /nfs/dbraw/zinc/13/84/39/1068138439.db2.gz HBPYOHYTYLVVPI-GOSISDBHSA-N 1 0 386.569 3.896 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC001359766099 1068176156 /nfs/dbraw/zinc/17/61/56/1068176156.db2.gz IBUCPNPOQINXTK-HBMCJLEFSA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001360097978 1068355065 /nfs/dbraw/zinc/35/50/65/1068355065.db2.gz FXKHWXIXWZFBMC-CTNGQTDRSA-N 1 0 392.551 3.926 20 30 GHEDRO C#CCN(C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001478099340 1078715809 /nfs/dbraw/zinc/71/58/09/1078715809.db2.gz AQEDFIVZUPWOTJ-MRXNPFEDSA-N 1 0 395.469 3.938 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N(C)[C@@H](C)CC#N)C(C)C ZINC001360474572 1068522233 /nfs/dbraw/zinc/52/22/33/1068522233.db2.gz QSOMIOURLUMHFU-SFHVURJKSA-N 1 0 383.544 3.587 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001360544987 1068552260 /nfs/dbraw/zinc/55/22/60/1068552260.db2.gz UVJOPCXNBCBODD-QRWLVFNGSA-N 1 0 386.931 3.679 20 30 GHEDRO C[C@@H](Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360588476 1068574027 /nfs/dbraw/zinc/57/40/27/1068574027.db2.gz XEQJWWKJWDCDSI-INIZCTEOSA-N 1 0 380.540 3.566 20 30 GHEDRO C[C@](CO)([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(Br)cc1 ZINC001460092611 1068778435 /nfs/dbraw/zinc/77/84/35/1068778435.db2.gz WEPLZONCVRVKCY-QGZVFWFLSA-N 1 0 379.685 3.971 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC001460528373 1068989275 /nfs/dbraw/zinc/98/92/75/1068989275.db2.gz YOKFVTRAQNWJRR-HNAYVOBHSA-N 1 0 382.895 3.749 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3ccc(CC#N)cc3)C2)O1 ZINC001460688003 1069087303 /nfs/dbraw/zinc/08/73/03/1069087303.db2.gz DQCGOODJQFJIPY-RDPSFJRHSA-N 1 0 375.516 3.618 20 30 GHEDRO C#Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c1 ZINC001470511704 1072601010 /nfs/dbraw/zinc/60/10/10/1072601010.db2.gz RAFFUVMIHGINEJ-XUVXKRRUSA-N 1 0 375.516 3.861 20 30 GHEDRO C=CCC[C@H](C(=O)N1CC[NH2+][C@H](Cc2cccc(OC)c2)C1)c1ccccc1 ZINC001470732342 1072711146 /nfs/dbraw/zinc/71/11/46/1072711146.db2.gz SFCAIZKVYDHSKD-GGAORHGYSA-N 1 0 378.516 3.788 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC001470854801 1072773031 /nfs/dbraw/zinc/77/30/31/1072773031.db2.gz MSJKMXNAZUMZTM-NRFANRHFSA-N 1 0 379.504 3.667 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC001470890416 1072794500 /nfs/dbraw/zinc/79/45/00/1072794500.db2.gz YVCAQOCJWLMLMB-QGZVFWFLSA-N 1 0 381.561 3.569 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC001478744609 1078973523 /nfs/dbraw/zinc/97/35/23/1078973523.db2.gz MHNKUBBOJBGPPL-GOSISDBHSA-N 1 0 378.520 3.699 20 30 GHEDRO Cc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001471298507 1073004238 /nfs/dbraw/zinc/00/42/38/1073004238.db2.gz MLXYGODPZHMIHI-OALUTQOASA-N 1 0 376.504 3.671 20 30 GHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNc3ncc(C#N)cc3F)cc2)C[C@H]1C ZINC001472745862 1073647681 /nfs/dbraw/zinc/64/76/81/1073647681.db2.gz BUTTUAKCMGMIHF-IAGOWNOFSA-N 1 0 382.483 3.714 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)cc1 ZINC001473203643 1073856789 /nfs/dbraw/zinc/85/67/89/1073856789.db2.gz HMVZSBKZQNECTK-HXUWFJFHSA-N 1 0 375.516 3.824 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001473333165 1073924338 /nfs/dbraw/zinc/92/43/38/1073924338.db2.gz UMYDBHPXUADMSZ-OPAMFIHVSA-N 1 0 386.455 3.590 20 30 GHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc(C#N)c1 ZINC001473387896 1073945127 /nfs/dbraw/zinc/94/51/27/1073945127.db2.gz NEXSOZYIBWDIKJ-YVEFUNNKSA-N 1 0 375.266 3.714 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC001473401062 1073950935 /nfs/dbraw/zinc/95/09/35/1073950935.db2.gz YGKCCXYWPKRPGH-YLJYHZDGSA-N 1 0 384.467 3.790 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473451139 1073969740 /nfs/dbraw/zinc/96/97/40/1073969740.db2.gz DSXWZYGOMSUCNB-LBTNJELSSA-N 1 0 388.468 3.590 20 30 GHEDRO C#CC[N@@H+](CCCN1CCN(c2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC001473453569 1073971388 /nfs/dbraw/zinc/97/13/88/1073971388.db2.gz HGKOPZGWRIZKKP-UHFFFAOYSA-N 1 0 381.951 3.988 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC001473461668 1073976738 /nfs/dbraw/zinc/97/67/38/1073976738.db2.gz CKNJQFILDUTWOG-UHFFFAOYSA-N 1 0 384.568 3.748 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CC[C@@H]1Sc2ccccc2NC1=O ZINC001473517857 1073998372 /nfs/dbraw/zinc/99/83/72/1073998372.db2.gz ZTZNLRWGZLTYNG-FQEVSTJZSA-N 1 0 381.501 3.510 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1 ZINC001473581173 1074028721 /nfs/dbraw/zinc/02/87/21/1074028721.db2.gz JLNXDWISFGELFE-IBGZPJMESA-N 1 0 389.499 3.921 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001479475401 1079214925 /nfs/dbraw/zinc/21/49/25/1079214925.db2.gz XIHFJCYKLOEQII-AWEZNQCLSA-N 1 0 398.320 3.628 20 30 GHEDRO C[N@H+](CC#Cc1ccccc1Cl)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001473837773 1074167132 /nfs/dbraw/zinc/16/71/32/1074167132.db2.gz TZMKMXYNEHCHBM-UHFFFAOYSA-N 1 0 392.927 3.697 20 30 GHEDRO CC[C@]1(C(=O)OC(C)(C)C)CCCN([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847244 1074172849 /nfs/dbraw/zinc/17/28/49/1074172849.db2.gz FSFIWKBPPMXYKG-AVRDEDQJSA-N 1 0 386.492 3.606 20 30 GHEDRO C[C@@](CO)([NH2+]Cc1cc(Cl)cc(C#N)c1)c1cccc(Br)c1 ZINC001473866615 1074181769 /nfs/dbraw/zinc/18/17/69/1074181769.db2.gz YVAILKPLYMIKMM-KRWDZBQOSA-N 1 0 379.685 3.971 20 30 GHEDRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCNc1ccc(C#N)cn1 ZINC001473925234 1074205716 /nfs/dbraw/zinc/20/57/16/1074205716.db2.gz HDRJQRGTTKRUTJ-UHFFFAOYSA-N 1 0 398.873 3.501 20 30 GHEDRO Cn1cc(CNCc2cccc(O)c2Br)c(-c2ccc(C#N)cc2)n1 ZINC001474108958 1074266057 /nfs/dbraw/zinc/26/60/57/1074266057.db2.gz MJRUEWLEIBXZCB-UHFFFAOYSA-N 1 0 397.276 3.717 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC001474240661 1074305744 /nfs/dbraw/zinc/30/57/44/1074305744.db2.gz MAKATJOFAHKSCK-HXUWFJFHSA-N 1 0 398.934 3.651 20 30 GHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC001474473428 1074422648 /nfs/dbraw/zinc/42/26/48/1074422648.db2.gz QMMLGUYQGJNJIS-CVEARBPZSA-N 1 0 393.494 3.804 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)cc1 ZINC001474517478 1074444539 /nfs/dbraw/zinc/44/45/39/1074444539.db2.gz UDBNHWPWLJXJIS-MRXNPFEDSA-N 1 0 382.460 3.545 20 30 GHEDRO C#Cc1ccc(C[NH2+]C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001474691035 1074517711 /nfs/dbraw/zinc/51/77/11/1074517711.db2.gz FIRGXLZZOKXEBS-HXUWFJFHSA-N 1 0 384.520 3.564 20 30 GHEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C1)[NH+]1CCCCC1 ZINC001493919871 1079308526 /nfs/dbraw/zinc/30/85/26/1079308526.db2.gz FSWIRECHCICZSP-RBUKOAKNSA-N 1 0 392.551 3.927 20 30 GHEDRO CC1CC[NH+](CCCn2c(C3CC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001494062760 1079320752 /nfs/dbraw/zinc/32/07/52/1079320752.db2.gz HTXFBJJIDKDPJG-UHFFFAOYSA-N 1 0 392.551 3.786 20 30 GHEDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001475180672 1074772861 /nfs/dbraw/zinc/77/28/61/1074772861.db2.gz WQBUYVADUYUSDV-UHFFFAOYSA-N 1 0 393.578 3.824 20 30 GHEDRO Cc1cccc(S(=O)(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001475572887 1074917572 /nfs/dbraw/zinc/91/75/72/1074917572.db2.gz UCPSAPQBMXMHQK-HXUWFJFHSA-N 1 0 397.544 3.590 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001476057060 1075076566 /nfs/dbraw/zinc/07/65/66/1075076566.db2.gz QYRAXLWSBNPXBO-OXJNMPFZSA-N 1 0 391.475 3.836 20 30 GHEDRO C#Cc1cccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001476275559 1075114684 /nfs/dbraw/zinc/11/46/84/1075114684.db2.gz GWONVRHWVXSEJO-UHFFFAOYSA-N 1 0 377.488 3.854 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001495998607 1079445210 /nfs/dbraw/zinc/44/52/10/1079445210.db2.gz SQQWXHUCUDZYLG-GOSISDBHSA-N 1 0 380.540 3.785 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001648155124 1126250107 /nfs/dbraw/zinc/25/01/07/1126250107.db2.gz GLKYMIBHXYZMSL-SJLPKXTDSA-N 1 0 398.812 3.866 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828258419 601300253 /nfs/dbraw/zinc/30/02/53/601300253.db2.gz RYEFETDCMMDEBD-JTSKRJEESA-N 1 0 377.488 3.848 20 30 GHEDRO N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000833073537 601323598 /nfs/dbraw/zinc/32/35/98/601323598.db2.gz DNNBCFPFIUTDNR-ISKFKSNPSA-N 1 0 389.499 3.672 20 30 GHEDRO Cc1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C#N)c1 ZINC001164843786 720665329 /nfs/dbraw/zinc/66/53/29/720665329.db2.gz YGQUTVCETZYIIZ-OAQYLSRUSA-N 1 0 376.504 3.522 20 30 GHEDRO Cc1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C#N)c1 ZINC001164843785 720665758 /nfs/dbraw/zinc/66/57/58/720665758.db2.gz YGQUTVCETZYIIZ-NRFANRHFSA-N 1 0 376.504 3.522 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1F ZINC001164772961 721289453 /nfs/dbraw/zinc/28/94/53/721289453.db2.gz KVKHFSGAOOAVHP-UHFFFAOYSA-N 1 0 397.885 3.730 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C#N)cc1Cl)CC2 ZINC001164793955 721490307 /nfs/dbraw/zinc/49/03/07/721490307.db2.gz YTKGLVDTAQSAPR-UHFFFAOYSA-N 1 0 381.911 3.883 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3C#N)C[C@H]21 ZINC001165027226 721802544 /nfs/dbraw/zinc/80/25/44/721802544.db2.gz UNWZUGLNSVMQCT-KFKAGJAMSA-N 1 0 381.911 3.739 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000414363232 837393895 /nfs/dbraw/zinc/39/38/95/837393895.db2.gz VIMMXUVVDIOALE-UHFFFAOYSA-N 1 0 387.549 3.766 20 30 GHEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000472597115 837398763 /nfs/dbraw/zinc/39/87/63/837398763.db2.gz BDDRQBWICBAMGV-XLIONFOSSA-N 1 0 379.508 3.877 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000511466757 837503049 /nfs/dbraw/zinc/50/30/49/837503049.db2.gz WJKIHQDWWFJUAP-UHFFFAOYSA-N 1 0 379.479 3.610 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000163365849 837700179 /nfs/dbraw/zinc/70/01/79/837700179.db2.gz SINIDNVCGYMUIQ-UHFFFAOYSA-N 1 0 391.943 3.933 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)/C=C\c2ccccc2C#N)[NH+]2CCCC2)c1 ZINC000255082399 837702976 /nfs/dbraw/zinc/70/29/76/837702976.db2.gz PEZGIBQCSZTZAC-SSSWZJSRSA-N 1 0 375.472 3.533 20 30 GHEDRO COC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c(C#N)n1 ZINC000581968825 837757742 /nfs/dbraw/zinc/75/77/42/837757742.db2.gz AWFLMNMCOKGJLV-INIZCTEOSA-N 1 0 378.476 3.726 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000581929010 837764658 /nfs/dbraw/zinc/76/46/58/837764658.db2.gz TWHFAKPMDYDYMS-NRFANRHFSA-N 1 0 376.504 3.849 20 30 GHEDRO Cn1cc(C[NH+]2CCC(CCCn3ccnc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000579696447 834394679 /nfs/dbraw/zinc/39/46/79/834394679.db2.gz JSVYNWWPAJFTOY-UHFFFAOYSA-N 1 0 388.519 3.848 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(Cl)c(Cl)c2)c1C#N ZINC000133638807 834461227 /nfs/dbraw/zinc/46/12/27/834461227.db2.gz LGJXZSSVCIYMTM-UHFFFAOYSA-N 1 0 394.306 3.702 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(OC)cc2)CC1 ZINC000613372579 837773961 /nfs/dbraw/zinc/77/39/61/837773961.db2.gz KFDMWQGIDVJJTQ-FQEVSTJZSA-N 1 0 397.515 3.707 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000329167493 834498529 /nfs/dbraw/zinc/49/85/29/834498529.db2.gz IOCILDAIPWJSGE-KRWDZBQOSA-N 1 0 395.956 3.686 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245386737 834564400 /nfs/dbraw/zinc/56/44/00/834564400.db2.gz QCYXFDPNWZDUEG-SJLPKXTDSA-N 1 0 398.482 3.644 20 30 GHEDRO CCCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OCC ZINC000430151244 834609071 /nfs/dbraw/zinc/60/90/71/834609071.db2.gz AOAFSTQDJLSJHT-IBGZPJMESA-N 1 0 381.476 3.794 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(Cl)cc2)c(OC)c1 ZINC000301312887 834623140 /nfs/dbraw/zinc/62/31/40/834623140.db2.gz ACMASSOWZDLTDS-IBGZPJMESA-N 1 0 375.896 3.949 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000186874598 834755334 /nfs/dbraw/zinc/75/53/34/834755334.db2.gz JCZKZJGTTZUDHE-UHFFFAOYSA-N 1 0 394.519 3.766 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)nc1 ZINC000430175829 834769313 /nfs/dbraw/zinc/76/93/13/834769313.db2.gz DFCVECXLVSRPAP-JOCHJYFZSA-N 1 0 386.455 3.581 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000471123893 834811555 /nfs/dbraw/zinc/81/15/55/834811555.db2.gz IKQDBPHOJXKWAO-XZOQPEGZSA-N 1 0 388.515 3.513 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329833982 834860823 /nfs/dbraw/zinc/86/08/23/834860823.db2.gz UKYGIAJQWPCRRK-OAQYLSRUSA-N 1 0 393.535 3.992 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000176949731 837816524 /nfs/dbraw/zinc/81/65/24/837816524.db2.gz HVTQPJCVHAUNGV-UHFFFAOYSA-N 1 0 381.423 3.765 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000583693373 834888535 /nfs/dbraw/zinc/88/85/35/834888535.db2.gz NEJWYMFHJVLNOD-MRXNPFEDSA-N 1 0 393.457 3.670 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000179115682 834897189 /nfs/dbraw/zinc/89/71/89/834897189.db2.gz VSEKAIGZIFCITO-HSZRJFAPSA-N 1 0 390.508 3.906 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000179133688 834941546 /nfs/dbraw/zinc/94/15/46/834941546.db2.gz DPTREWBNXZXCHH-QGZVFWFLSA-N 1 0 381.863 3.924 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000685543056 835141509 /nfs/dbraw/zinc/14/15/09/835141509.db2.gz CMUVKKTVZVKMGE-UHFFFAOYSA-N 1 0 378.524 3.923 20 30 GHEDRO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330464 844021680 /nfs/dbraw/zinc/02/16/80/844021680.db2.gz JNLBHGXAWFVSIY-RXVVDRJESA-N 1 0 381.524 3.790 20 30 GHEDRO C=CCn1c(-c2ccccc2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685545232 835146238 /nfs/dbraw/zinc/14/62/38/835146238.db2.gz OAFJTCVPNRVXDT-SZPZYZBQSA-N 1 0 385.515 3.699 20 30 GHEDRO COc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(Cl)c1 ZINC000433325106 844026181 /nfs/dbraw/zinc/02/61/81/844026181.db2.gz HOJWFGYCOKVKEA-UHFFFAOYSA-N 1 0 395.894 3.853 20 30 GHEDRO Cc1cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc(C)c1O ZINC000433342013 844029482 /nfs/dbraw/zinc/02/94/82/844029482.db2.gz JVKAOSCNLQXOJD-UHFFFAOYSA-N 1 0 375.476 3.514 20 30 GHEDRO COCc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(C(=O)OC)c1 ZINC000430217707 835223149 /nfs/dbraw/zinc/22/31/49/835223149.db2.gz LGTSDXIYRJXUJH-UHFFFAOYSA-N 1 0 393.487 3.568 20 30 GHEDRO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC000512960643 844036319 /nfs/dbraw/zinc/03/63/19/844036319.db2.gz CWOHCAULZKJWHB-KRWDZBQOSA-N 1 0 391.368 3.720 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000158302113 835313725 /nfs/dbraw/zinc/31/37/25/835313725.db2.gz ZPQGDMSRUDQXLP-ROUUACIJSA-N 1 0 386.565 3.580 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1C#N ZINC000157663224 835332128 /nfs/dbraw/zinc/33/21/28/835332128.db2.gz BOZDNPKTZSHVTR-GOSISDBHSA-N 1 0 382.464 3.897 20 30 GHEDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278564640 835406879 /nfs/dbraw/zinc/40/68/79/835406879.db2.gz CVQVDMZZLNVGRO-QAPCUYQASA-N 1 0 381.505 3.522 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584022686 835458846 /nfs/dbraw/zinc/45/88/46/835458846.db2.gz BNZJBMGETAAZNW-UXHICEINSA-N 1 0 390.487 3.553 20 30 GHEDRO C[C@@H]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000433369463 844055825 /nfs/dbraw/zinc/05/58/25/844055825.db2.gz XCLFUXJTWKMVJZ-OFNKIYASSA-N 1 0 375.516 3.882 20 30 GHEDRO CCN(C(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000052801167 835573806 /nfs/dbraw/zinc/57/38/06/835573806.db2.gz KUPMLANOONASFC-IBGZPJMESA-N 1 0 376.504 3.512 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(O)CCCCC1 ZINC000924883556 844077853 /nfs/dbraw/zinc/07/78/53/844077853.db2.gz RWQFLARZXLDUOY-KRWDZBQOSA-N 1 0 379.545 3.591 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584176171 835729203 /nfs/dbraw/zinc/72/92/03/835729203.db2.gz YGZKFLSUJLVOBH-YPGOJHLTSA-N 1 0 378.476 3.713 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)o1 ZINC000611807996 835730238 /nfs/dbraw/zinc/73/02/38/835730238.db2.gz HMBCPAWRPZSBDV-UHFFFAOYSA-N 1 0 397.866 3.506 20 30 GHEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000510132129 835734470 /nfs/dbraw/zinc/73/44/70/835734470.db2.gz JSYNURXXTBFUOZ-JOCHJYFZSA-N 1 0 382.529 3.776 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000246825043 835747959 /nfs/dbraw/zinc/74/79/59/835747959.db2.gz AVUKLJJTJCYBCI-QZTJIDSGSA-N 1 0 398.551 3.621 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000527299502 835779535 /nfs/dbraw/zinc/77/95/35/835779535.db2.gz RWHJAHLWBKSZKJ-AWEZNQCLSA-N 1 0 379.426 3.836 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)cc1 ZINC001208926207 835802962 /nfs/dbraw/zinc/80/29/62/835802962.db2.gz DBZOVIJPBDYIOT-UHFFFAOYSA-N 1 0 388.515 3.514 20 30 GHEDRO C=CCn1c(C2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000584378859 835940390 /nfs/dbraw/zinc/94/03/90/835940390.db2.gz BPWMLJQAHLTGLF-UHFFFAOYSA-N 1 0 383.515 3.973 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC000431638529 835947605 /nfs/dbraw/zinc/94/76/05/835947605.db2.gz KXMAPVPWCOSWAY-UHFFFAOYSA-N 1 0 393.318 3.949 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000573214643 835962760 /nfs/dbraw/zinc/96/27/60/835962760.db2.gz MGFBJRHFDVFRFV-CTNGQTDRSA-N 1 0 382.895 3.575 20 30 GHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)COc1ccccc1Cl ZINC000512540638 844111129 /nfs/dbraw/zinc/11/11/29/844111129.db2.gz ABJJXXAOIQBGDJ-SFHVURJKSA-N 1 0 377.916 3.935 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cnccc1C(C)(C)C ZINC000413691107 836102821 /nfs/dbraw/zinc/10/28/21/836102821.db2.gz GZOCOJGCYDWWLV-UHFFFAOYSA-N 1 0 393.535 3.524 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(n3ncc(C(=O)OCC)c3C)CC2)cc1 ZINC000569916136 836162307 /nfs/dbraw/zinc/16/23/07/836162307.db2.gz BFBAKWFFQJBNID-UHFFFAOYSA-N 1 0 383.492 3.770 20 30 GHEDRO N#Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1C(F)(F)F ZINC000167493492 836233265 /nfs/dbraw/zinc/23/32/65/836233265.db2.gz BKNKDXWCGKMOPB-SFHVURJKSA-N 1 0 375.394 3.756 20 30 GHEDRO CCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1CCCCC1 ZINC000065951295 836318499 /nfs/dbraw/zinc/31/84/99/836318499.db2.gz ASPJHDXJFCNTBS-UHFFFAOYSA-N 1 0 379.508 3.975 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1C#N ZINC000612540192 836379684 /nfs/dbraw/zinc/37/96/84/836379684.db2.gz ITVKRIFVVFOTHC-SFHVURJKSA-N 1 0 398.551 3.921 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000414175690 836407581 /nfs/dbraw/zinc/40/75/81/836407581.db2.gz HQPQEZNNIAIAGV-CJNGLKHVSA-N 1 0 391.284 3.962 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1)CC(F)(F)F ZINC000748095729 836496409 /nfs/dbraw/zinc/49/64/09/836496409.db2.gz UWGNYTHWTJXOLP-KRWDZBQOSA-N 1 0 391.441 3.585 20 30 GHEDRO Cc1ccc(-c2nnc([C@H](C)O[NH+]=Cc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000748097479 836526048 /nfs/dbraw/zinc/52/60/48/836526048.db2.gz MHEJZSGNBJPTQW-KRWDZBQOSA-N 1 0 392.459 3.993 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2cccn2)c1 ZINC000179997748 836567677 /nfs/dbraw/zinc/56/76/77/836567677.db2.gz PQZWGGSBGIIGOM-HTAPYJJXSA-N 1 0 385.471 3.590 20 30 GHEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000179999481 836569070 /nfs/dbraw/zinc/56/90/70/836569070.db2.gz PYCVTKODMMQCCR-KXBFYZLASA-N 1 0 378.432 3.621 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000175510022 836587141 /nfs/dbraw/zinc/58/71/41/836587141.db2.gz JLRFNFJZOBCZSI-OXJNMPFZSA-N 1 0 380.467 3.550 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175513952 836598190 /nfs/dbraw/zinc/59/81/90/836598190.db2.gz UEBULYUIGTYIQN-AZUAARDMSA-N 1 0 382.533 3.844 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2SCC=C(C)C)c1C#N ZINC000133804463 836599635 /nfs/dbraw/zinc/59/96/35/836599635.db2.gz KGAAMCYETPJLQC-UHFFFAOYSA-N 1 0 383.521 3.744 20 30 GHEDRO C=CCN1C(=O)N(C2CC[NH+](C3CCCCC3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431671554 836647878 /nfs/dbraw/zinc/64/78/78/836647878.db2.gz DHFJXPRKOUEDBJ-JOCHJYFZSA-N 1 0 395.547 3.845 20 30 GHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C1CCCCC1 ZINC000510189062 836696113 /nfs/dbraw/zinc/69/61/13/836696113.db2.gz IKHUHHFCUTWNON-UHFFFAOYSA-N 1 0 393.535 3.772 20 30 GHEDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000180218707 836723331 /nfs/dbraw/zinc/72/33/31/836723331.db2.gz VZHPONFOGXCOKP-FQEVSTJZSA-N 1 0 395.457 3.629 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1 ZINC000431692092 836851068 /nfs/dbraw/zinc/85/10/68/836851068.db2.gz NSLYVGYOXVCNQQ-MOPGFXCFSA-N 1 0 382.464 3.639 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000171725738 836962902 /nfs/dbraw/zinc/96/29/02/836962902.db2.gz IBYXSNOKYAAQGY-UHFFFAOYSA-N 1 0 377.699 3.792 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(C)cc1 ZINC000027479464 837053635 /nfs/dbraw/zinc/05/36/35/837053635.db2.gz DMYNTVAMHHVNCF-UHFFFAOYSA-O 1 0 379.596 3.934 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000139975588 837057250 /nfs/dbraw/zinc/05/72/50/837057250.db2.gz WFILIDFRFPPKKP-UHFFFAOYSA-N 1 0 386.515 3.515 20 30 GHEDRO C[C@H](C[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000782785692 837105288 /nfs/dbraw/zinc/10/52/88/837105288.db2.gz ZWEPVTQTDAMEDX-HZPDHXFCSA-N 1 0 397.523 3.740 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000472487031 837117489 /nfs/dbraw/zinc/11/74/89/837117489.db2.gz NLTTUEVBIFDCJQ-QHCPKHFHSA-N 1 0 392.547 3.601 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(SCC#N)c1)Cc1ccccc1 ZINC000175997188 837121196 /nfs/dbraw/zinc/12/11/96/837121196.db2.gz KMRUOGMYRJBLJZ-FQEVSTJZSA-N 1 0 381.545 3.985 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000180412152 837229172 /nfs/dbraw/zinc/22/91/72/837229172.db2.gz KPFZALSTJMIGKZ-UHFFFAOYSA-N 1 0 385.515 3.713 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)sc2c1CCCC2 ZINC000580248578 837319402 /nfs/dbraw/zinc/31/94/02/837319402.db2.gz OOLLEDGLAXWHBT-FXAWDEMLSA-N 1 0 399.560 3.861 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659047568 837385046 /nfs/dbraw/zinc/38/50/46/837385046.db2.gz SXDHMMHWQIUJLX-NRFANRHFSA-N 1 0 397.523 3.735 20 30 GHEDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000181155415 837857615 /nfs/dbraw/zinc/85/76/15/837857615.db2.gz ULWWSOYLXQRDNH-MRXNPFEDSA-N 1 0 385.895 3.617 20 30 GHEDRO COc1cccc([C@H](C)CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000177261771 837864322 /nfs/dbraw/zinc/86/43/22/837864322.db2.gz FWMJBZGMLJIGNG-GOSISDBHSA-N 1 0 379.504 3.651 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(-n2cncn2)cc1 ZINC000181224260 837873504 /nfs/dbraw/zinc/87/35/04/837873504.db2.gz MZHNJHPKQMVUFC-ZDUSSCGKSA-N 1 0 382.265 3.752 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000181282940 837917395 /nfs/dbraw/zinc/91/73/95/837917395.db2.gz KGVYERYSLJCEEC-KRWDZBQOSA-N 1 0 391.496 3.745 20 30 GHEDRO COc1cc(NC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000177370388 837926864 /nfs/dbraw/zinc/92/68/64/837926864.db2.gz XVGFKHSGVMYYOO-UHFFFAOYSA-N 1 0 381.476 3.531 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000122709278 838179236 /nfs/dbraw/zinc/17/92/36/838179236.db2.gz AGPVMCNCOFFLQH-NGYIFUPDSA-N 1 0 393.531 3.977 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC([C@H]3CCCO3)CC2)sc2c1CCCC2 ZINC000189188202 838229856 /nfs/dbraw/zinc/22/98/56/838229856.db2.gz GRDLMVOKMOVHRZ-GOSISDBHSA-N 1 0 387.549 3.718 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc(F)cc2C#N)CCOCC1)c1ccccc1 ZINC000177923122 838248254 /nfs/dbraw/zinc/24/82/54/838248254.db2.gz JFTWWBFJBOABIT-MRXNPFEDSA-N 1 0 396.466 3.719 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccccc1 ZINC000189559539 838274458 /nfs/dbraw/zinc/27/44/58/838274458.db2.gz VGRQDQOPMMSXEL-YJBOKZPZSA-N 1 0 386.402 3.727 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)c1 ZINC000782907091 838355633 /nfs/dbraw/zinc/35/56/33/838355633.db2.gz NRUYUYATBZKKAO-LJQANCHMSA-N 1 0 380.492 3.793 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000610317935 838385945 /nfs/dbraw/zinc/38/59/45/838385945.db2.gz GVWHEMOLLFYCBI-QGZVFWFLSA-N 1 0 377.492 3.583 20 30 GHEDRO CC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc(OCC[NH+](C)C)cc1 ZINC000748131260 838486050 /nfs/dbraw/zinc/48/60/50/838486050.db2.gz JDZGYRZXMXIVMQ-UHFFFAOYSA-N 1 0 395.532 3.957 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549398820 838578989 /nfs/dbraw/zinc/57/89/89/838578989.db2.gz IKZOBBUGCWXTOV-AZUAARDMSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610355622 838652070 /nfs/dbraw/zinc/65/20/70/838652070.db2.gz AQFIDZBGTOSDLG-RTBURBONSA-N 1 0 376.504 3.925 20 30 GHEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000177689178 838655226 /nfs/dbraw/zinc/65/52/26/838655226.db2.gz ASGQAFVRGQHEHF-ZDUSSCGKSA-N 1 0 376.323 3.998 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610358082 838665110 /nfs/dbraw/zinc/66/51/10/838665110.db2.gz YHABKMIVJDGOFO-OALUTQOASA-N 1 0 376.504 3.925 20 30 GHEDRO [NH2+]=C(NCc1cccc(N2CCCC2=O)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000170904634 838741886 /nfs/dbraw/zinc/74/18/86/838741886.db2.gz GAYWBPDKVBGVTL-UHFFFAOYSA-N 1 0 392.381 3.639 20 30 GHEDRO FC(F)C(F)(F)COCC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000376955105 838866127 /nfs/dbraw/zinc/86/61/27/838866127.db2.gz BEPQINDTYFZUEO-UHFFFAOYSA-N 1 0 377.304 3.525 20 30 GHEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000330192659 838891154 /nfs/dbraw/zinc/89/11/54/838891154.db2.gz YAMIDAWXRHIXBN-URXFXBBRSA-N 1 0 392.499 3.972 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000535753110 844382318 /nfs/dbraw/zinc/38/23/18/844382318.db2.gz WITGHEMHULPRQA-HXUWFJFHSA-N 1 0 397.519 3.976 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415034133 839096338 /nfs/dbraw/zinc/09/63/38/839096338.db2.gz CGAYRFOUXPWCOA-INIZCTEOSA-N 1 0 383.330 3.630 20 30 GHEDRO CCc1ccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccccc2CC)cc1 ZINC000172580207 839110326 /nfs/dbraw/zinc/11/03/26/839110326.db2.gz IJROIZPWUSXULQ-UHFFFAOYSA-O 1 0 393.536 3.883 20 30 GHEDRO N#Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000541395108 839116732 /nfs/dbraw/zinc/11/67/32/839116732.db2.gz ZTODJMVQFAYVBB-GOSISDBHSA-N 1 0 390.405 3.981 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CSc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378480068 839190130 /nfs/dbraw/zinc/19/01/30/839190130.db2.gz DTOFTHWSTZBUII-LJQANCHMSA-N 1 0 377.513 3.550 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415127684 839254165 /nfs/dbraw/zinc/25/41/65/839254165.db2.gz SDNALTGSIGIWNO-OXJNMPFZSA-N 1 0 392.503 3.894 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000415152533 839294607 /nfs/dbraw/zinc/29/46/07/839294607.db2.gz BWRGQQMNBHBGSJ-QGZVFWFLSA-N 1 0 382.533 3.974 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccc(C#N)cc2)ccc1Cl ZINC000119048456 839390839 /nfs/dbraw/zinc/39/08/39/839390839.db2.gz XHWSPUQDOARFEW-UHFFFAOYSA-N 1 0 398.894 3.536 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000416687040 839534404 /nfs/dbraw/zinc/53/44/04/839534404.db2.gz NUXPXEMIJCDMLM-SFTDATJTSA-N 1 0 380.467 3.677 20 30 GHEDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC[C@H]3CCC[N@H+](CC)C3)ccc2NC1=O ZINC000328732217 839566136 /nfs/dbraw/zinc/56/61/36/839566136.db2.gz XJLKYNGFICVTRV-DAYGRLMNSA-N 1 0 388.512 3.742 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549257448 839637505 /nfs/dbraw/zinc/63/75/05/839637505.db2.gz XBVCVFTYURVTNB-HXUWFJFHSA-N 1 0 381.568 3.922 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000122511230 839673136 /nfs/dbraw/zinc/67/31/36/839673136.db2.gz QRCUFOYSWYXMQS-JPYJTQIMSA-N 1 0 385.515 3.569 20 30 GHEDRO N#Cc1csc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000128339202 839718415 /nfs/dbraw/zinc/71/84/15/839718415.db2.gz RAHMNKPCYIDPQT-UHFFFAOYSA-N 1 0 392.322 3.509 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000549279481 839773260 /nfs/dbraw/zinc/77/32/60/839773260.db2.gz KFNMLIILKPOWTI-SFHVURJKSA-N 1 0 385.943 3.773 20 30 GHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc(C#N)c1Br ZINC000458223401 844476611 /nfs/dbraw/zinc/47/66/11/844476611.db2.gz XXLWGHHQUUZKPV-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000377634341 839853850 /nfs/dbraw/zinc/85/38/50/839853850.db2.gz ZMXIHZXHSCYVAY-IBGZPJMESA-N 1 0 381.501 3.632 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550663 844482857 /nfs/dbraw/zinc/48/28/57/844482857.db2.gz LSDCPYLCFGIGOF-CYBMUJFWSA-N 1 0 376.350 3.601 20 30 GHEDRO CCCc1c(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)cnn1-c1cccc(C#N)c1 ZINC000415562286 839969473 /nfs/dbraw/zinc/96/94/73/839969473.db2.gz GPHHYRZBSHPLDO-SFHVURJKSA-N 1 0 382.512 3.534 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000580734510 840087195 /nfs/dbraw/zinc/08/71/95/840087195.db2.gz RQGANPDVDSBZGV-JPYJTQIMSA-N 1 0 388.515 3.895 20 30 GHEDRO CCc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000046945646 840104730 /nfs/dbraw/zinc/10/47/30/840104730.db2.gz UXECBNQGRULKTL-UHFFFAOYSA-N 1 0 382.533 3.600 20 30 GHEDRO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728306935 840166897 /nfs/dbraw/zinc/16/68/97/840166897.db2.gz BWVIPGVCIVDXNW-QGZVFWFLSA-N 1 0 378.520 3.960 20 30 GHEDRO N#Cc1ccsc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247315746 840250055 /nfs/dbraw/zinc/25/00/55/840250055.db2.gz VUFWLXDUOULIGK-VQTJNVASSA-N 1 0 394.544 3.545 20 30 GHEDRO N#Cc1ccsc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247315754 840250448 /nfs/dbraw/zinc/25/04/48/840250448.db2.gz VUFWLXDUOULIGK-WOJBJXKFSA-N 1 0 394.544 3.545 20 30 GHEDRO C[C@](CO)([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000511588421 840267624 /nfs/dbraw/zinc/26/76/24/840267624.db2.gz OOPSDZXRQOFITB-GOSISDBHSA-N 1 0 378.697 3.951 20 30 GHEDRO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000053721208 840355428 /nfs/dbraw/zinc/35/54/28/840355428.db2.gz OXXXTKBHRCKOBL-XMSQKQJNSA-N 1 0 391.515 3.942 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)c(F)cc1OC)CC2 ZINC001143387415 840614069 /nfs/dbraw/zinc/61/40/69/840614069.db2.gz HESSSQVRNQZBJE-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511774034 840707559 /nfs/dbraw/zinc/70/75/59/840707559.db2.gz PBPSQXFHSURYRC-MOUTVQLLSA-N 1 0 393.527 3.659 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511774033 840707587 /nfs/dbraw/zinc/70/75/87/840707587.db2.gz PBPSQXFHSURYRC-LWSSLDFYSA-N 1 0 393.527 3.659 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000047333792 840746338 /nfs/dbraw/zinc/74/63/38/840746338.db2.gz NHSRIXABBBJQGS-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000636518032 840768777 /nfs/dbraw/zinc/76/87/77/840768777.db2.gz DPSZYXGAPBYYAA-UHFFFAOYSA-N 1 0 381.442 3.573 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000511797996 840801419 /nfs/dbraw/zinc/80/14/19/840801419.db2.gz XVIVJXKEPLLKSO-WIYYLYMNSA-N 1 0 391.515 3.523 20 30 GHEDRO C[C@@H]1CN(C(=O)c2cc3ccccc3n2CC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000590874732 840854060 /nfs/dbraw/zinc/85/40/60/840854060.db2.gz SKKBJOYVJCAOKY-IBGZPJMESA-N 1 0 386.499 3.759 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CC1 ZINC000106322250 840902857 /nfs/dbraw/zinc/90/28/57/840902857.db2.gz LPUYPVZNWONZNB-UHFFFAOYSA-N 1 0 398.551 3.865 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2sc(C)cc2Br)CC1 ZINC000660596561 840979261 /nfs/dbraw/zinc/97/92/61/840979261.db2.gz FLJPVTDOJMMYIO-UHFFFAOYSA-N 1 0 386.359 3.659 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000157010517 840991908 /nfs/dbraw/zinc/99/19/08/840991908.db2.gz SEWMYIQHHPPMDE-KRWDZBQOSA-N 1 0 378.505 3.504 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000511859542 841010934 /nfs/dbraw/zinc/01/09/34/841010934.db2.gz MKSURCFZFDKECD-ZHALLVOQSA-N 1 0 379.426 3.740 20 30 GHEDRO C=CCCC[C@@H](C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)c1ccccc1 ZINC001125989953 841171813 /nfs/dbraw/zinc/17/18/13/841171813.db2.gz LABRPFSZALVRPM-OAQYLSRUSA-N 1 0 379.504 3.879 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000549526880 841349991 /nfs/dbraw/zinc/34/99/91/841349991.db2.gz CSNGNPLRXYCXMU-DYVFJYSZSA-N 1 0 376.298 3.792 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990213 841367292 /nfs/dbraw/zinc/36/72/92/841367292.db2.gz KAYQXZFCKAVMNG-HOIFWPIMSA-N 1 0 376.504 3.913 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(OC)c(C#N)c3)C2)cc(OC)c1 ZINC000135213813 841384565 /nfs/dbraw/zinc/38/45/65/841384565.db2.gz BHOOLRQGEMQIAJ-GOSISDBHSA-N 1 0 381.476 3.661 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418050545 841441173 /nfs/dbraw/zinc/44/11/73/841441173.db2.gz WLMAHYKXKNGXEP-DOMZBBRYSA-N 1 0 375.225 3.501 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000329264612 861219079 /nfs/dbraw/zinc/21/90/79/861219079.db2.gz BZHYDEYWGXMFGF-IBGZPJMESA-N 1 0 396.539 3.643 20 30 GHEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000500234883 841707695 /nfs/dbraw/zinc/70/76/95/841707695.db2.gz XOVURCUENIHURE-JOCHJYFZSA-N 1 0 399.498 3.698 20 30 GHEDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1CCC(C)C ZINC000161781598 861237809 /nfs/dbraw/zinc/23/78/09/861237809.db2.gz ZTGSWONSWYZGMD-UHFFFAOYSA-N 1 0 396.539 3.705 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000247347373 841840027 /nfs/dbraw/zinc/84/00/27/841840027.db2.gz JNAVRYSUDMWCAF-FDDCHVKYSA-N 1 0 391.515 3.940 20 30 GHEDRO C=C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1)c1ccccc1 ZINC000662870239 841846440 /nfs/dbraw/zinc/84/64/40/841846440.db2.gz AKLKFWZFWPUFBF-PBEJRMEISA-N 1 0 382.479 3.756 20 30 GHEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000329287819 861247878 /nfs/dbraw/zinc/24/78/78/861247878.db2.gz MOAAFFKPORFBHO-SUMWQHHRSA-N 1 0 396.318 3.791 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000660385452 841911652 /nfs/dbraw/zinc/91/16/52/841911652.db2.gz ITZDLJRVKUAUPT-YHBROIRLSA-N 1 0 383.536 3.688 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510447889 841977526 /nfs/dbraw/zinc/97/75/26/841977526.db2.gz YCLVNOAWHGWQLY-MCGOBGFWSA-N 1 0 393.535 3.602 20 30 GHEDRO C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000458812095 842148368 /nfs/dbraw/zinc/14/83/68/842148368.db2.gz QLOHDZJYAXRTOG-VQTJNVASSA-N 1 0 378.605 3.567 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cnc1N1CCCC[C@H]1C ZINC000329317122 861278034 /nfs/dbraw/zinc/27/80/34/861278034.db2.gz DBFJGINIXZQZAL-UYAOXDASSA-N 1 0 399.583 3.978 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000548210832 842170500 /nfs/dbraw/zinc/17/05/00/842170500.db2.gz LNMCCLREMZYGRA-YADHBBJMSA-N 1 0 399.498 3.998 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000278935012 842184103 /nfs/dbraw/zinc/18/41/03/842184103.db2.gz CNLOWHWXPUZKGU-MJGOQNOKSA-N 1 0 392.503 3.940 20 30 GHEDRO CC(C)(C#N)CCC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000471701792 842199788 /nfs/dbraw/zinc/19/97/88/842199788.db2.gz QXRTUPMWEDAFIL-UHFFFAOYSA-N 1 0 396.457 3.591 20 30 GHEDRO C=CCOc1c(Br)cc(CNC[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654826 861298529 /nfs/dbraw/zinc/29/85/29/861298529.db2.gz JZRHACHUMUPGEK-OAHLLOKOSA-N 1 0 397.357 3.844 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)C2)CC1 ZINC000278946447 842361340 /nfs/dbraw/zinc/36/13/40/842361340.db2.gz CPPAOIVPDIZNOD-IBGZPJMESA-N 1 0 392.503 3.797 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005051 842463054 /nfs/dbraw/zinc/46/30/54/842463054.db2.gz NLEFJTDYQLBYSI-KGLIPLIRSA-N 1 0 375.394 3.943 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000178208040 842480901 /nfs/dbraw/zinc/48/09/01/842480901.db2.gz ICMPEWVCWHTMML-LJQANCHMSA-N 1 0 381.520 3.583 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000548308547 842541679 /nfs/dbraw/zinc/54/16/79/842541679.db2.gz BFZCKILAVAYUKD-HXUWFJFHSA-N 1 0 383.879 3.787 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1Cl ZINC000599552787 861323442 /nfs/dbraw/zinc/32/34/42/861323442.db2.gz IPPUSJRUHFGBDL-SJORKVTESA-N 1 0 377.941 3.865 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000510492099 842621972 /nfs/dbraw/zinc/62/19/72/842621972.db2.gz OBEVQYLUGPWCTA-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)Nc1c(Cl)cccc1Cl ZINC000328852113 842639035 /nfs/dbraw/zinc/63/90/35/842639035.db2.gz WWYKXZJRAQBKJM-MAZHCROVSA-N 1 0 387.307 3.833 20 30 GHEDRO C=CCN1CC(=O)N(C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000761350949 861332749 /nfs/dbraw/zinc/33/27/49/861332749.db2.gz CCGCNSUDQATDAG-CRAIPNDOSA-N 1 0 395.425 3.539 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000610571507 842817513 /nfs/dbraw/zinc/81/75/13/842817513.db2.gz FWGYYZNUSXNOIX-GHTZIAJQSA-N 1 0 386.499 3.948 20 30 GHEDRO COc1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1OC(F)F ZINC000329381181 861354715 /nfs/dbraw/zinc/35/47/15/861354715.db2.gz NQTGSWWCBIVDAE-MRXNPFEDSA-N 1 0 397.466 3.661 20 30 GHEDRO C=C(C)C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(CO)o1 ZINC000512197115 843037551 /nfs/dbraw/zinc/03/75/51/843037551.db2.gz SAIGPXZLENXALP-UHFFFAOYSA-N 1 0 380.847 3.971 20 30 GHEDRO C[C@H]1C[N@H+](CCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCCO1 ZINC000432554631 843124816 /nfs/dbraw/zinc/12/48/16/843124816.db2.gz CXPJLSVNMKLLBU-SFHVURJKSA-N 1 0 392.503 3.533 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc(OC)c1O ZINC000430882296 843125157 /nfs/dbraw/zinc/12/51/57/843125157.db2.gz JHYVZSWNCYOMHY-LJQANCHMSA-N 1 0 380.488 3.614 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1c2c(ccc1Cl)OCC2 ZINC000562929143 843125169 /nfs/dbraw/zinc/12/51/69/843125169.db2.gz DOUVUTHIJLNTNE-UHFFFAOYSA-N 1 0 398.894 3.742 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000430879789 843132141 /nfs/dbraw/zinc/13/21/41/843132141.db2.gz QBUGGJLIWULFTC-QFIPXVFZSA-N 1 0 385.552 3.836 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430921973 843189567 /nfs/dbraw/zinc/18/95/67/843189567.db2.gz WEUAMLWEPZSGFX-LJQANCHMSA-N 1 0 383.517 3.672 20 30 GHEDRO [NH3+]CC1(NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1 ZINC000662417314 843202112 /nfs/dbraw/zinc/20/21/12/843202112.db2.gz PPQQAGKLDGRXHD-UHFFFAOYSA-N 1 0 386.311 3.977 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430944932 843227914 /nfs/dbraw/zinc/22/79/14/843227914.db2.gz OUNHNLMFCNWEHD-NRFANRHFSA-N 1 0 380.488 3.669 20 30 GHEDRO C#Cc1ccc(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)nc1 ZINC000728861103 843230525 /nfs/dbraw/zinc/23/05/25/843230525.db2.gz KOZWMMCDCSLGJG-UHFFFAOYSA-N 1 0 390.314 3.964 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+](C)C)cc1 ZINC000188784279 843244917 /nfs/dbraw/zinc/24/49/17/843244917.db2.gz OGJOQDUHNSQWAU-LJQANCHMSA-N 1 0 395.507 3.751 20 30 GHEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)C2 ZINC000599599711 861396067 /nfs/dbraw/zinc/39/60/67/861396067.db2.gz QTWJTAXXEGVNTH-SZPZYZBQSA-N 1 0 376.460 3.814 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000512284002 843314997 /nfs/dbraw/zinc/31/49/97/843314997.db2.gz WLFBPHGJYYTMAO-SFHVURJKSA-N 1 0 381.524 3.559 20 30 GHEDRO CCC[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCOC1 ZINC000512291073 843324981 /nfs/dbraw/zinc/32/49/81/843324981.db2.gz DOPCDPKKOTXMFR-FQEVSTJZSA-N 1 0 375.538 3.766 20 30 GHEDRO CCc1noc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)n1 ZINC000330268652 843338236 /nfs/dbraw/zinc/33/82/36/843338236.db2.gz IULBDWJAVZOGMA-QGZVFWFLSA-N 1 0 383.496 3.713 20 30 GHEDRO CCc1nc(CN2CCC(CNC(=[NH2+])Nc3cc(C)cc(C)c3)CC2)cs1 ZINC000178572503 843373585 /nfs/dbraw/zinc/37/35/85/843373585.db2.gz BOCQMEMCKRIGOQ-UHFFFAOYSA-N 1 0 385.581 3.961 20 30 GHEDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066955616 843383469 /nfs/dbraw/zinc/38/34/69/843383469.db2.gz GCQBGTJQEKKKQZ-QGZVFWFLSA-N 1 0 392.569 3.903 20 30 GHEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662558361 843402854 /nfs/dbraw/zinc/40/28/54/843402854.db2.gz VICLGRHHXUNTAR-CABZTGNLSA-N 1 0 386.311 3.704 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[NH2+]1 ZINC000662562566 843405922 /nfs/dbraw/zinc/40/59/22/843405922.db2.gz OSMAKCXYZFZDIE-SKDRFNHKSA-N 1 0 386.311 3.846 20 30 GHEDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000543837326 843446852 /nfs/dbraw/zinc/44/68/52/843446852.db2.gz ZCNUQDFOTQKUFX-FQEVSTJZSA-N 1 0 385.895 3.527 20 30 GHEDRO COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000512339492 843447016 /nfs/dbraw/zinc/44/70/16/843447016.db2.gz WMRDHTLLKZMXSE-INTAXFPDSA-N 1 0 389.499 3.893 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC[C@@H]3Sc4ccccc4NC3=O)CCOCC2)cc1 ZINC000599629397 861417857 /nfs/dbraw/zinc/41/78/57/861417857.db2.gz FNYJWHBKOWOHEZ-FQEVSTJZSA-N 1 0 393.512 3.657 20 30 GHEDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1C ZINC000599631270 861419718 /nfs/dbraw/zinc/41/97/18/861419718.db2.gz NYLXZUYYFPWXPW-QFIPXVFZSA-N 1 0 394.515 3.519 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCSCc1ccccc1C#N ZINC000043835651 843535227 /nfs/dbraw/zinc/53/52/27/843535227.db2.gz MENNCDNRRBBQOH-SFHVURJKSA-N 1 0 388.581 3.745 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCc3c(O)cccc3C2)sc2c1CCCC2 ZINC000599648180 861444307 /nfs/dbraw/zinc/44/43/07/861444307.db2.gz VBMRQABBLKOQKE-UHFFFAOYSA-N 1 0 381.501 3.591 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549666718 843705875 /nfs/dbraw/zinc/70/58/75/843705875.db2.gz AVDGUZOUFXKBQI-UHFFFAOYSA-N 1 0 392.551 3.824 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610717802 843712537 /nfs/dbraw/zinc/71/25/37/843712537.db2.gz XUZAIYYWYPYHBX-QGZVFWFLSA-N 1 0 379.464 3.741 20 30 GHEDRO C[NH+](C)CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CCCC1 ZINC000609583020 861458579 /nfs/dbraw/zinc/45/85/79/861458579.db2.gz ADMBEQPNYJZTPW-UHFFFAOYSA-N 1 0 378.476 3.692 20 30 GHEDRO CC(C)N(C(=O)c1ccc(C#N)c(Cl)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843695731 843842348 /nfs/dbraw/zinc/84/23/48/843842348.db2.gz HFCSZXWSSNIOGF-GOSISDBHSA-N 1 0 382.895 3.732 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512839713 843860714 /nfs/dbraw/zinc/86/07/14/843860714.db2.gz KLMRWZVORZMDBF-IBGZPJMESA-N 1 0 398.478 3.597 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512486469 843993051 /nfs/dbraw/zinc/99/30/51/843993051.db2.gz MGTZRPHLMUBESM-HSZRJFAPSA-N 1 0 394.950 3.604 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC[C@H]21 ZINC000610814879 844648842 /nfs/dbraw/zinc/64/88/42/844648842.db2.gz GTUZBFQXTKDPOP-FXAWDEMLSA-N 1 0 391.475 3.694 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1OC ZINC000575737808 844733138 /nfs/dbraw/zinc/73/31/38/844733138.db2.gz NHJLGMILQQCTCR-HSZRJFAPSA-N 1 0 385.479 3.826 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508807308 844787826 /nfs/dbraw/zinc/78/78/26/844787826.db2.gz BQMSSKZAPXVYEY-ZWKOTPCHSA-N 1 0 399.514 3.808 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000614160334 844796505 /nfs/dbraw/zinc/79/65/05/844796505.db2.gz SOWUJJGHSQCXML-UHFFFAOYSA-N 1 0 399.336 3.967 20 30 GHEDRO COC(=O)[C@H]1CN(Cc2cc(Br)ccc2C#N)C[C@@H]1c1ccccc1 ZINC001141908042 861504888 /nfs/dbraw/zinc/50/48/88/861504888.db2.gz YHZUTZUCKSEBKH-MOPGFXCFSA-N 1 0 399.288 3.709 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000433021177 844981265 /nfs/dbraw/zinc/98/12/65/844981265.db2.gz WCIKMFYNVWGZHQ-OAQYLSRUSA-N 1 0 390.487 3.542 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccccc1 ZINC000433012687 844982389 /nfs/dbraw/zinc/98/23/89/844982389.db2.gz URILSBNSKLXFLN-MRXNPFEDSA-N 1 0 387.281 3.807 20 30 GHEDRO C=C(CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000512681300 845019930 /nfs/dbraw/zinc/01/99/30/845019930.db2.gz MYNPSZLIKXQLLM-DHIUTWEWSA-N 1 0 398.595 3.678 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C23CCCC3)c1C#N ZINC000433040891 845046490 /nfs/dbraw/zinc/04/64/90/845046490.db2.gz SJRBFNBDQYIVBO-HXUWFJFHSA-N 1 0 398.551 3.800 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000513209693 845052948 /nfs/dbraw/zinc/05/29/48/845052948.db2.gz FTRYAWWPXPQADV-HXUWFJFHSA-N 1 0 375.472 3.585 20 30 GHEDRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610993392 845064800 /nfs/dbraw/zinc/06/48/00/845064800.db2.gz NOYKGBFZDCURJQ-JOCHJYFZSA-N 1 0 377.488 3.902 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433044749 845072251 /nfs/dbraw/zinc/07/22/51/845072251.db2.gz OAJNMZWJGVLAQB-IBGZPJMESA-N 1 0 398.572 3.677 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](C)C1 ZINC000247365220 845093329 /nfs/dbraw/zinc/09/33/29/845093329.db2.gz KJNQMWVPYALLBT-QFBILLFUSA-N 1 0 381.476 3.533 20 30 GHEDRO OCC1(c2ccccc2)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000433070538 845159337 /nfs/dbraw/zinc/15/93/37/845159337.db2.gz VKQWASXVORJYAL-UHFFFAOYSA-N 1 0 389.417 3.963 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](CNc4ccc(Cl)cc4)C3)cnc12 ZINC000896732197 861551436 /nfs/dbraw/zinc/55/14/36/861551436.db2.gz FMQLSJZZDHVBND-HNNXBMFYSA-N 1 0 380.883 3.578 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCc2cc(C#N)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000509785948 845417886 /nfs/dbraw/zinc/41/78/86/845417886.db2.gz BOGAKLJSBQIHPX-FXAWDEMLSA-N 1 0 394.494 3.797 20 30 GHEDRO C=CCN(C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H](C)COC ZINC000664026853 845465240 /nfs/dbraw/zinc/46/52/40/845465240.db2.gz SMDMAEVZMMIWSB-QGZVFWFLSA-N 1 0 393.959 3.785 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3O[C@H]3CCOC3)CC2)cc1 ZINC000182579193 845492015 /nfs/dbraw/zinc/49/20/15/845492015.db2.gz ZCQUMJRREXLRIV-NRFANRHFSA-N 1 0 377.488 3.802 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3O[C@@H]3CCOC3)CC2)cc1 ZINC000182579173 845492204 /nfs/dbraw/zinc/49/22/04/845492204.db2.gz ZCQUMJRREXLRIV-OAQYLSRUSA-N 1 0 377.488 3.802 20 30 GHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000555684085 861576514 /nfs/dbraw/zinc/57/65/14/861576514.db2.gz QZFUVARGBNIDSY-HXUWFJFHSA-N 1 0 387.487 3.710 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H](C)c1ccc2ccccc2c1 ZINC000262824634 845531541 /nfs/dbraw/zinc/53/15/41/845531541.db2.gz XYQDRWSWSVMBHE-WMZOPIPTSA-N 1 0 390.535 3.618 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000119549237 845536023 /nfs/dbraw/zinc/53/60/23/845536023.db2.gz NMUXSZSNTNCXLW-KRWDZBQOSA-N 1 0 381.476 3.685 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000124603739 845682329 /nfs/dbraw/zinc/68/23/29/845682329.db2.gz RATYFCHJENFVGZ-GOTSBHOMSA-N 1 0 399.579 3.661 20 30 GHEDRO N#Cc1ccc(OCC[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000071887164 845686607 /nfs/dbraw/zinc/68/66/07/845686607.db2.gz SDKDZABJYCWOBI-HXUWFJFHSA-N 1 0 378.476 3.613 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000604036577 861611941 /nfs/dbraw/zinc/61/19/41/861611941.db2.gz UFBCHGLBRPRVLG-ROUUACIJSA-N 1 0 397.544 3.515 20 30 GHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000604043686 861626747 /nfs/dbraw/zinc/62/67/47/861626747.db2.gz HWDNLXXZXRIZOX-UHFFFAOYSA-N 1 0 397.544 3.801 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CCO)c2ccccc2)sc2c1CCCCC2 ZINC000539230670 846016927 /nfs/dbraw/zinc/01/69/27/846016927.db2.gz FQRQAZWSSDEQAY-IBGZPJMESA-N 1 0 397.544 3.931 20 30 GHEDRO COc1ccc(C#N)cc1C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001167526029 846054531 /nfs/dbraw/zinc/05/45/31/846054531.db2.gz MZSDBNPMDUEWSJ-GOSISDBHSA-N 1 0 375.513 3.938 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000582026560 846091711 /nfs/dbraw/zinc/09/17/11/846091711.db2.gz MWKHWZCVFBACJE-KRWDZBQOSA-N 1 0 386.455 3.713 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000157702446 846124131 /nfs/dbraw/zinc/12/41/31/846124131.db2.gz FVZGYUKUCGNFJS-OAQYLSRUSA-N 1 0 398.551 3.513 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1 ZINC000502549905 846190575 /nfs/dbraw/zinc/19/05/75/846190575.db2.gz DXPMFLDGMQRPLU-OAQYLSRUSA-N 1 0 391.450 3.808 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc2cc(C#N)c(C#N)cc2c1 ZINC001167946172 846355399 /nfs/dbraw/zinc/35/53/99/846355399.db2.gz ZSQRXXRRRILGNH-FQEVSTJZSA-N 1 0 378.476 3.834 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccccc2-n2cccn2)c(C#N)c1C ZINC000183166679 846433738 /nfs/dbraw/zinc/43/37/38/846433738.db2.gz CWBHZYLQMUMNDB-CQSZACIVSA-N 1 0 379.489 3.712 20 30 GHEDRO CCN(CC)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000236998934 846460710 /nfs/dbraw/zinc/46/07/10/846460710.db2.gz YDOMWDFUCDBFSF-MRXNPFEDSA-N 1 0 387.528 3.759 20 30 GHEDRO N#Cc1ccc(CN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000551696443 846494580 /nfs/dbraw/zinc/49/45/80/846494580.db2.gz CHURMIVOBCKBHZ-XMMPIXPASA-N 1 0 375.516 3.814 20 30 GHEDRO Cc1noc([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)n1 ZINC000329041096 846529784 /nfs/dbraw/zinc/52/97/84/846529784.db2.gz OJNATUZPFQSXGH-GXTWGEPZSA-N 1 0 399.520 3.904 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)CC1 ZINC000421768531 846573849 /nfs/dbraw/zinc/57/38/49/846573849.db2.gz OKYMSOYWHONRQA-UHFFFAOYSA-N 1 0 396.510 3.579 20 30 GHEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000421842653 846633502 /nfs/dbraw/zinc/63/35/02/846633502.db2.gz OHRZRLOHNCCLQP-JLTOFOAXSA-N 1 0 385.870 3.672 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[NH+](C)C ZINC000513709616 846712815 /nfs/dbraw/zinc/71/28/15/846712815.db2.gz JCVWAYJLULPVRT-NRFANRHFSA-N 1 0 379.504 3.843 20 30 GHEDRO COc1cc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(F)cc1C#N ZINC000599815679 861717274 /nfs/dbraw/zinc/71/72/74/861717274.db2.gz AIFUBBBNBLETPH-QGZVFWFLSA-N 1 0 390.846 3.784 20 30 GHEDRO Cc1ncc(CO)c(/C=N\C[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1O ZINC000731563403 861714047 /nfs/dbraw/zinc/71/40/47/861714047.db2.gz PNCILNVTNXSIEE-OLRBPVQESA-N 1 0 387.911 3.715 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1OC ZINC000414565059 846756300 /nfs/dbraw/zinc/75/63/00/846756300.db2.gz DRNBHMPYURNKFP-UKRRQHHQSA-N 1 0 384.314 3.663 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)s2)[NH+]2CCCCC2)cc1 ZINC000422139805 846844805 /nfs/dbraw/zinc/84/48/05/846844805.db2.gz SPSGWVOMZOYQRM-HXUWFJFHSA-N 1 0 398.532 3.655 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC[N@@H+]1C ZINC000329592536 861727552 /nfs/dbraw/zinc/72/75/52/861727552.db2.gz BYZPTBONADTRSN-AEDCBLDQSA-N 1 0 379.913 3.708 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000271766352 846913425 /nfs/dbraw/zinc/91/34/25/846913425.db2.gz IVMFZQBXJJXOOU-QFIPXVFZSA-N 1 0 379.504 3.654 20 30 GHEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271865565 846939149 /nfs/dbraw/zinc/93/91/49/846939149.db2.gz UXRCNFBEGPFDIN-INIZCTEOSA-N 1 0 385.533 3.589 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C1CC1 ZINC000563311425 846962699 /nfs/dbraw/zinc/96/26/99/846962699.db2.gz NXDFZNHISLFONU-QGZVFWFLSA-N 1 0 378.524 3.710 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000158155677 847020758 /nfs/dbraw/zinc/02/07/58/847020758.db2.gz VVYZLJICZJZENF-UHFFFAOYSA-N 1 0 379.504 3.542 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272678894 847144423 /nfs/dbraw/zinc/14/44/23/847144423.db2.gz MYOLGSZAZWHJOK-IEBWSBKVSA-N 1 0 378.476 3.716 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000272735670 847159606 /nfs/dbraw/zinc/15/96/06/847159606.db2.gz VUURHBARPPNCFX-UHFFFAOYSA-N 1 0 396.535 3.542 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](CCO)c3ccc(Cl)cc3)CC2)cc1 ZINC000562044976 847235241 /nfs/dbraw/zinc/23/52/41/847235241.db2.gz RIOJELZKSYFYJY-JOCHJYFZSA-N 1 0 383.923 3.889 20 30 GHEDRO CN(C(=O)C[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)C1(C#N)CCCCC1 ZINC000273371957 847319060 /nfs/dbraw/zinc/31/90/60/847319060.db2.gz BYNKIUZFTHIPFW-VQTJNVASSA-N 1 0 387.499 3.662 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000422215113 847473817 /nfs/dbraw/zinc/47/38/17/847473817.db2.gz HQCQOCHFUJFTFG-AEFFLSMTSA-N 1 0 382.533 3.814 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000502111244 847491729 /nfs/dbraw/zinc/49/17/29/847491729.db2.gz KJJJIZPZJALURI-JOCHJYFZSA-N 1 0 388.515 3.757 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513735142 847587934 /nfs/dbraw/zinc/58/79/34/847587934.db2.gz JYFSIDSKGOTHBY-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO Brc1cccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255511926 847593886 /nfs/dbraw/zinc/59/38/86/847593886.db2.gz VJRYGQUXWWTUSL-UHFFFAOYSA-N 1 0 375.266 3.836 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](CCO)CC2)c1C#N ZINC000421010416 847607631 /nfs/dbraw/zinc/60/76/31/847607631.db2.gz FZAZTZRSUBOMFB-GOSISDBHSA-N 1 0 386.540 3.515 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ncoc1-c1ccccc1Cl ZINC000329626451 861815430 /nfs/dbraw/zinc/81/54/30/861815430.db2.gz TXTFBIYAWBGYIO-UHFFFAOYSA-N 1 0 389.883 3.945 20 30 GHEDRO C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000502296150 847704940 /nfs/dbraw/zinc/70/49/40/847704940.db2.gz YJBVBNHGOCWUPT-LJQANCHMSA-N 1 0 388.515 3.877 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccc(CC#N)cc2)CCOCC1)c1ccccc1 ZINC000502362514 847803441 /nfs/dbraw/zinc/80/34/41/847803441.db2.gz STMNORMTBDDAOW-SFHVURJKSA-N 1 0 392.503 3.774 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000503588730 847817009 /nfs/dbraw/zinc/81/70/09/847817009.db2.gz LPRGXJDMYQGLHL-OALUTQOASA-N 1 0 385.479 3.792 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2cccnc2)[n+]2ccccc2)cc1C ZINC000171208830 861868696 /nfs/dbraw/zinc/86/86/96/861868696.db2.gz BOCZWRPHENNACI-UHFFFAOYSA-O 1 0 390.532 3.757 20 30 GHEDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000329648595 861898464 /nfs/dbraw/zinc/89/84/64/861898464.db2.gz JZSQWECOLGKBFW-WMZOPIPTSA-N 1 0 382.508 3.583 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COCc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187769693 848449337 /nfs/dbraw/zinc/44/93/37/848449337.db2.gz FPWQQJFSGYIAKP-UWJYYQICSA-N 1 0 377.431 3.758 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)NCC[NH+]3CCCCC3)cc2F)c1 ZINC000481629064 861912458 /nfs/dbraw/zinc/91/24/58/861912458.db2.gz RENKJNDZOGZUKR-UHFFFAOYSA-N 1 0 396.466 3.884 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)C1 ZINC000048827938 848663447 /nfs/dbraw/zinc/66/34/47/848663447.db2.gz VNPNMIXHINYVHR-SFHVURJKSA-N 1 0 376.504 3.790 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2ccc3cc(C#N)c(C#N)cc3c2)CCC([NH3+])CC1 ZINC001167643950 848805991 /nfs/dbraw/zinc/80/59/91/848805991.db2.gz QZSAGBOGYBJQKH-UHFFFAOYSA-N 1 0 390.487 3.977 20 30 GHEDRO C[NH+](C)C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000481658474 861963779 /nfs/dbraw/zinc/96/37/79/861963779.db2.gz OJLLSXJAZYWFHJ-UHFFFAOYSA-N 1 0 396.466 3.834 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@H]1CCCO1 ZINC000543497459 862039083 /nfs/dbraw/zinc/03/90/83/862039083.db2.gz SDWKKTYSIJFKLY-VQTJNVASSA-N 1 0 398.482 3.591 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 ZINC000604276870 862059294 /nfs/dbraw/zinc/05/92/94/862059294.db2.gz WMNIEUGOXIDFFM-CHWSQXEVSA-N 1 0 393.331 3.950 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000583421891 849857168 /nfs/dbraw/zinc/85/71/68/849857168.db2.gz KJEBLNZMKHDBAN-UHFFFAOYSA-N 1 0 380.473 3.669 20 30 GHEDRO [NH2+]=C(NCc1cc(F)c(C(F)(F)F)cc1F)N[C@H]1CCOc2ccccc21 ZINC000262303289 849891694 /nfs/dbraw/zinc/89/16/94/849891694.db2.gz LJCAXTWMAWEBTL-HNNXBMFYSA-N 1 0 385.336 3.912 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000435036707 850001301 /nfs/dbraw/zinc/00/13/01/850001301.db2.gz UMIJVTBEAQHNPW-QFIPXVFZSA-N 1 0 391.515 3.798 20 30 GHEDRO C[C@@H]1CN(CC[N@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000435048981 850021488 /nfs/dbraw/zinc/02/14/88/850021488.db2.gz LLIYWUJQUCWDJA-BGYRXZFFSA-N 1 0 393.531 3.678 20 30 GHEDRO C[N@H+](CCOc1ccccc1F)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435124352 850103163 /nfs/dbraw/zinc/10/31/63/850103163.db2.gz ONXNJZWHSNVUEG-UHFFFAOYSA-N 1 0 379.439 3.509 20 30 GHEDRO Cc1nc(C)c(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000329691033 862091960 /nfs/dbraw/zinc/09/19/60/862091960.db2.gz DIHLCPYAUJCFGZ-KBPBESRZSA-N 1 0 388.537 3.895 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)s2)C1 ZINC000514666096 850141139 /nfs/dbraw/zinc/14/11/39/850141139.db2.gz PRCSIXXKERDNMG-MRXNPFEDSA-N 1 0 382.533 3.851 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(CC#N)cc2)cc(OC)c1OCC(F)F ZINC000514672734 850147209 /nfs/dbraw/zinc/14/72/09/850147209.db2.gz QNJCKGAJIWDJQY-UHFFFAOYSA-N 1 0 376.403 3.704 20 30 GHEDRO C[C@@H](Sc1cccc(F)c1C#N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000518797416 850161043 /nfs/dbraw/zinc/16/10/43/850161043.db2.gz UKISWGWFMSOZSF-MRXNPFEDSA-N 1 0 397.519 3.959 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000505624604 850193003 /nfs/dbraw/zinc/19/30/03/850193003.db2.gz XOLJSBCVAHKFLK-RXVVDRJESA-N 1 0 391.515 3.523 20 30 GHEDRO Cc1sc(NC(=O)[C@@H]([NH3+])CCCC#N)nc1-c1ccc(OC(F)F)cc1 ZINC000424059465 850194387 /nfs/dbraw/zinc/19/43/87/850194387.db2.gz BQUFIQNNDWLZNT-ZDUSSCGKSA-N 1 0 380.420 3.680 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000604369051 862103502 /nfs/dbraw/zinc/10/35/02/862103502.db2.gz BSZHOOUVIRVNAM-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CSc1cccc([C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2cc(F)ccc2F)c1 ZINC000424121892 850236732 /nfs/dbraw/zinc/23/67/32/850236732.db2.gz IEGHNZDBQHRPBF-RBUKOAKNSA-N 1 0 389.471 3.913 20 30 GHEDRO COc1ccc([C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2Cl)c(C)c1 ZINC000424123836 850238995 /nfs/dbraw/zinc/23/89/95/850238995.db2.gz LPHNDOQBIXIADO-WOJBJXKFSA-N 1 0 385.895 3.884 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000424148261 850249888 /nfs/dbraw/zinc/24/98/88/850249888.db2.gz ZTNJJPFPYIOTLU-LJQANCHMSA-N 1 0 396.535 3.896 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000514759899 850257244 /nfs/dbraw/zinc/25/72/44/850257244.db2.gz SBIOTWGAOSUONG-IRLDBZIGSA-N 1 0 394.515 3.506 20 30 GHEDRO C[C@H](c1cccnc1)N1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000514770056 850269063 /nfs/dbraw/zinc/26/90/63/850269063.db2.gz ZLSFIEYOBYEVSM-QGZVFWFLSA-N 1 0 375.520 3.845 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1OCc1ccc(C(=O)OC)cc1 ZINC000425345518 850395264 /nfs/dbraw/zinc/39/52/64/850395264.db2.gz ACKSWAVOIVOJKD-SFTDATJTSA-N 1 0 381.472 3.733 20 30 GHEDRO C#CCCCc1nnc(N2CCC(CC)([NH+]3CCC3)CC2)n1Cc1ccccc1 ZINC000908980927 850506607 /nfs/dbraw/zinc/50/66/07/850506607.db2.gz GJDXQQOSFIMGBV-UHFFFAOYSA-N 1 0 391.563 3.737 20 30 GHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc(C#N)s2)CCCC1)c1ccccc1 ZINC000435439719 850527974 /nfs/dbraw/zinc/52/79/74/850527974.db2.gz WQWKJTQBEHBYER-HNNXBMFYSA-N 1 0 389.546 3.562 20 30 GHEDRO N#Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1N1CCC(O)CC1 ZINC000174616332 850536884 /nfs/dbraw/zinc/53/68/84/850536884.db2.gz BFVOKBRYIGBGEB-UHFFFAOYSA-N 1 0 390.531 3.596 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)c1 ZINC000515020724 850581487 /nfs/dbraw/zinc/58/14/87/850581487.db2.gz OMNXIDOIPPZOEN-GAJHUEQPSA-N 1 0 377.488 3.679 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3cc(C)cc(F)c3)c3c2CCC3)CC1 ZINC000424642595 850594716 /nfs/dbraw/zinc/59/47/16/850594716.db2.gz DVOWVVWUBVHJGY-UHFFFAOYSA-N 1 0 396.510 3.579 20 30 GHEDRO Cc1nsc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C#N ZINC000519101872 850626480 /nfs/dbraw/zinc/62/64/80/850626480.db2.gz KAZKUINFJNOYFO-NRFANRHFSA-N 1 0 395.532 3.843 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1Cl ZINC000018015909 850641870 /nfs/dbraw/zinc/64/18/70/850641870.db2.gz WXUMLJIWANQFFP-HXUWFJFHSA-N 1 0 385.895 3.790 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)cc1 ZINC000729434810 850672338 /nfs/dbraw/zinc/67/23/38/850672338.db2.gz RBODKDMBLJSJKY-IBGZPJMESA-N 1 0 381.476 3.540 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000909294013 850677069 /nfs/dbraw/zinc/67/70/69/850677069.db2.gz QLADEWQMEUJBBX-KRWDZBQOSA-N 1 0 375.586 3.877 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108374768 850762963 /nfs/dbraw/zinc/76/29/63/850762963.db2.gz NLRROYMGWAVZEU-AOMKIAJQSA-N 1 0 399.514 3.523 20 30 GHEDRO CCCc1c(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000440080956 850770508 /nfs/dbraw/zinc/77/05/08/850770508.db2.gz ZXZNZZYNCGCCSA-IXDOHACOSA-N 1 0 379.508 3.896 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000435727556 850791225 /nfs/dbraw/zinc/79/12/25/850791225.db2.gz ZBCCILZYTRZNCD-BMIGLBTASA-N 1 0 393.215 3.640 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435751117 850815622 /nfs/dbraw/zinc/81/56/22/850815622.db2.gz PQDAFUMOFGHHKH-KSSFIOAISA-N 1 0 376.298 3.910 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000425410462 850893656 /nfs/dbraw/zinc/89/36/56/850893656.db2.gz CDBAJFWSSUZLKI-GPHNJDIKSA-N 1 0 385.552 3.555 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000604445981 862185728 /nfs/dbraw/zinc/18/57/28/862185728.db2.gz SKHXMEWNDGBLBZ-VFSLUADLSA-N 1 0 383.536 3.825 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC(CCC#N)CC3)c(C)c2)CC1 ZINC000515349741 850932945 /nfs/dbraw/zinc/93/29/45/850932945.db2.gz FIRRQPOWIXMUCH-UHFFFAOYSA-N 1 0 383.540 3.685 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000515437171 851037376 /nfs/dbraw/zinc/03/73/76/851037376.db2.gz QEACFKGCRAYZHQ-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)[NH+]1CCCCC1 ZINC000515501480 851091505 /nfs/dbraw/zinc/09/15/05/851091505.db2.gz ACOBIBPMZVLZQQ-GOSISDBHSA-N 1 0 381.436 3.509 20 30 GHEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000425081795 851130665 /nfs/dbraw/zinc/13/06/65/851130665.db2.gz FATDABHLYIFILF-CQSZACIVSA-N 1 0 379.426 3.820 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC000515547208 851158219 /nfs/dbraw/zinc/15/82/19/851158219.db2.gz KUZABDZDUMYWLJ-KRWDZBQOSA-N 1 0 377.431 3.574 20 30 GHEDRO COC1CC[NH+](C2(CNc3c(C#N)cnc4ccc(C)cc43)CCCC2)CC1 ZINC000488111980 851165346 /nfs/dbraw/zinc/16/53/46/851165346.db2.gz YXUNYZRVCDUBEF-UHFFFAOYSA-N 1 0 378.520 3.672 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000604472407 862214215 /nfs/dbraw/zinc/21/42/15/862214215.db2.gz ZNOMOQFYLBGEAE-JOCHJYFZSA-N 1 0 393.556 3.820 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1OCCc2ccccc21)C(C)C ZINC000514073703 851194676 /nfs/dbraw/zinc/19/46/76/851194676.db2.gz BLQHISDINKGMSP-VXKWHMMOSA-N 1 0 385.552 3.640 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)C(N)=O)cc1 ZINC000488201396 851264413 /nfs/dbraw/zinc/26/44/13/851264413.db2.gz LZRHZGLWCUJFFD-LJQANCHMSA-N 1 0 385.870 3.979 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246638724 851304730 /nfs/dbraw/zinc/30/47/30/851304730.db2.gz GPACELPTDFDJPO-IPJJNNNSSA-N 1 0 391.515 3.837 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)c1 ZINC000436225141 851339204 /nfs/dbraw/zinc/33/92/04/851339204.db2.gz XLJWMKZOORUVEM-UHFFFAOYSA-N 1 0 385.414 3.708 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000436259763 851392499 /nfs/dbraw/zinc/39/24/99/851392499.db2.gz LGIYLBFEEWGOBM-XLIONFOSSA-N 1 0 375.513 3.510 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1(CO)CCC1 ZINC000550096101 851555675 /nfs/dbraw/zinc/55/56/75/851555675.db2.gz UNFSZVQWLJACFT-OXJNMPFZSA-N 1 0 389.565 3.654 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1OC ZINC000430105419 851557990 /nfs/dbraw/zinc/55/79/90/851557990.db2.gz LDLKEKUDPHBXHL-HSZRJFAPSA-N 1 0 381.472 3.577 20 30 GHEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000473672615 851571150 /nfs/dbraw/zinc/57/11/50/851571150.db2.gz CTNSSIDLEMKWDQ-UHFFFAOYSA-N 1 0 396.466 3.834 20 30 GHEDRO CC(C)[NH+]1CCN(CCCN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)CC1 ZINC000425539740 851598254 /nfs/dbraw/zinc/59/82/54/851598254.db2.gz UKXUOUYDDUGOQT-SFHVURJKSA-N 1 0 396.501 3.836 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000180640798 862262712 /nfs/dbraw/zinc/26/27/12/862262712.db2.gz JXVYSQSLIHYXNJ-FXAWDEMLSA-N 1 0 393.487 3.834 20 30 GHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H](C)C1 ZINC000488732729 851728273 /nfs/dbraw/zinc/72/82/73/851728273.db2.gz KGBRCTPOEULTKZ-CKFHNAJUSA-N 1 0 386.446 3.874 20 30 GHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329751456 862292565 /nfs/dbraw/zinc/29/25/65/862292565.db2.gz IXLOCXKRQNNTAB-JNEKLRAESA-N 1 0 387.568 3.635 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000604597959 862296980 /nfs/dbraw/zinc/29/69/80/862296980.db2.gz JOPDTQACJYCATC-IEBWSBKVSA-N 1 0 379.570 3.583 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000249406114 852027309 /nfs/dbraw/zinc/02/73/09/852027309.db2.gz WPYHOYQIACIFJY-IRLDBZIGSA-N 1 0 389.547 3.548 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000515975370 852031107 /nfs/dbraw/zinc/03/11/07/852031107.db2.gz PMSHODPRISNLSG-GHTZIAJQSA-N 1 0 381.476 3.508 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329778220 862315872 /nfs/dbraw/zinc/31/58/72/862315872.db2.gz KZKGASMSXKTLHB-QFBILLFUSA-N 1 0 393.487 3.571 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438169331 852107012 /nfs/dbraw/zinc/10/70/12/852107012.db2.gz MWFUIMCJSGYDNJ-MRXNPFEDSA-N 1 0 386.845 3.814 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505868651 852227405 /nfs/dbraw/zinc/22/74/05/852227405.db2.gz IKDVQVJQOBEZBB-MOPGFXCFSA-N 1 0 395.478 3.862 20 30 GHEDRO CC[N@H+](CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)CCC(F)(F)F ZINC000425987372 852283461 /nfs/dbraw/zinc/28/34/61/852283461.db2.gz AHVBBRXSCDAKHK-MSOLQXFVSA-N 1 0 396.457 3.742 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccccc1-n1nc(C)cc1C)NC(C)(C)C ZINC000912499679 852307980 /nfs/dbraw/zinc/30/79/80/852307980.db2.gz XXVDZDDAFNIGNY-UHFFFAOYSA-N 1 0 385.556 3.749 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)CC[NH+]2CCCC2)cc1OC ZINC000517783563 852386283 /nfs/dbraw/zinc/38/62/83/852386283.db2.gz RSIWAULZPFIIII-UHFFFAOYSA-N 1 0 383.330 3.550 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC000329829129 862352982 /nfs/dbraw/zinc/35/29/82/862352982.db2.gz JRCNLDLTWTVMAA-AVOUXACISA-N 1 0 396.457 3.881 20 30 GHEDRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@@H]1CCCCO1 ZINC000329832848 862357170 /nfs/dbraw/zinc/35/71/70/862357170.db2.gz LBQNMCXWASOMKM-OKGBLQAJSA-N 1 0 377.529 3.715 20 30 GHEDRO CC(C)(C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cc(F)cc(C#N)c1 ZINC000505922045 852611057 /nfs/dbraw/zinc/61/10/57/852611057.db2.gz DBNIGHIDDZSKEV-UHFFFAOYSA-N 1 0 379.479 3.887 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1ccc(F)c(C#N)c1)[NH+]1CCCCC1 ZINC000507152090 852617959 /nfs/dbraw/zinc/61/79/59/852617959.db2.gz OTOVTAYWAZHXTN-FQEVSTJZSA-N 1 0 381.451 3.663 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)cc(OC)c1 ZINC000490047131 852733664 /nfs/dbraw/zinc/73/36/64/852733664.db2.gz JINURTCHLKJCMY-GOSISDBHSA-N 1 0 381.476 3.531 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427122208 852752554 /nfs/dbraw/zinc/75/25/54/852752554.db2.gz ARSYILVFINIAFA-WBVHZDCISA-N 1 0 395.341 3.596 20 30 GHEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000481847866 862392009 /nfs/dbraw/zinc/39/20/09/862392009.db2.gz LSKUUACQGPIOGR-NVXWUHKLSA-N 1 0 394.357 3.710 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)CC(C)C ZINC000507324009 852793277 /nfs/dbraw/zinc/79/32/77/852793277.db2.gz IAKNYWNQZCKIRM-HXUWFJFHSA-N 1 0 381.524 3.539 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CCC([NH+]4CCC4)CC3)cc2)cc1 ZINC000912879218 852845788 /nfs/dbraw/zinc/84/57/88/852845788.db2.gz QWTJYGUYRMQNTC-UHFFFAOYSA-N 1 0 375.472 3.855 20 30 GHEDRO C=CCC1(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)CCOCC1 ZINC000913086074 853058208 /nfs/dbraw/zinc/05/82/08/853058208.db2.gz YYGROAKKJPDFNF-ZRZAMGCNSA-N 1 0 382.548 3.730 20 30 GHEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000329927596 862431162 /nfs/dbraw/zinc/43/11/62/862431162.db2.gz XDJPSXGFSHRUFD-MSOLQXFVSA-N 1 0 393.535 3.939 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2CN2CCCC2=O)c(C(F)(F)F)c1 ZINC000516896264 853138009 /nfs/dbraw/zinc/13/80/09/853138009.db2.gz FGOMQBLEAKOBQS-UHFFFAOYSA-N 1 0 387.405 3.989 20 30 GHEDRO C=CCOc1cccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000518266263 853139393 /nfs/dbraw/zinc/13/93/93/853139393.db2.gz QCPXAEJDYVFCFT-UHFFFAOYSA-N 1 0 378.516 3.965 20 30 GHEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000490766888 853244265 /nfs/dbraw/zinc/24/42/65/853244265.db2.gz CQFBAEXZEZDNAF-IBGZPJMESA-N 1 0 387.487 3.779 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000437641735 853352255 /nfs/dbraw/zinc/35/22/55/853352255.db2.gz RNXFQNSNULYDPL-IRLDBZIGSA-N 1 0 385.552 3.699 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329959556 862457841 /nfs/dbraw/zinc/45/78/41/862457841.db2.gz RDTGXECEYNKANL-IBGZPJMESA-N 1 0 398.486 3.921 20 30 GHEDRO C[N@H+](CCOc1cccc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518473954 853390771 /nfs/dbraw/zinc/39/07/71/853390771.db2.gz AZMLQWDUTNJULM-RBUKOAKNSA-N 1 0 377.271 3.834 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000519714499 853420859 /nfs/dbraw/zinc/42/08/59/853420859.db2.gz OIHSLQCJESIDOP-VQTJNVASSA-N 1 0 396.583 3.951 20 30 GHEDRO CC[C@@](C)(O)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000439273176 853499234 /nfs/dbraw/zinc/49/92/34/853499234.db2.gz LRPNIRDDQVTVPV-HSZRJFAPSA-N 1 0 379.504 3.596 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000586776191 853517567 /nfs/dbraw/zinc/51/75/67/853517567.db2.gz KROQQMXHZWULMZ-XQFWAAQXSA-N 1 0 394.515 3.974 20 30 GHEDRO Cn1ccnc1C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000586790360 853549961 /nfs/dbraw/zinc/54/99/61/853549961.db2.gz YNAOSDUTXPOCFG-HSZRJFAPSA-N 1 0 385.515 3.834 20 30 GHEDRO C[NH+](C)CC1(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCC1 ZINC000439357960 853590375 /nfs/dbraw/zinc/59/03/75/853590375.db2.gz MNBOPEDKAVOUQO-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000437834562 853595131 /nfs/dbraw/zinc/59/51/31/853595131.db2.gz FMGBWUOXMMIZCF-JOCHJYFZSA-N 1 0 387.524 3.668 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)CCCC2)c1 ZINC000518667047 853626840 /nfs/dbraw/zinc/62/68/40/853626840.db2.gz PFTHZYQHANHUFR-QGZVFWFLSA-N 1 0 377.488 3.995 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000055011322 853627886 /nfs/dbraw/zinc/62/78/86/853627886.db2.gz QBJIYMRQQUQFKV-SFHVURJKSA-O 1 0 383.537 3.552 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000517304592 853640757 /nfs/dbraw/zinc/64/07/57/853640757.db2.gz NKKHWWZAVMEDOS-UHFFFAOYSA-N 1 0 382.504 3.847 20 30 GHEDRO COc1ccc(C)cc1C1(C[NH2+]Cc2ccc(C#N)c(OC)c2)CCOCC1 ZINC000440811078 853655725 /nfs/dbraw/zinc/65/57/25/853655725.db2.gz GAQMBBJEGBLOMX-UHFFFAOYSA-N 1 0 380.488 3.722 20 30 GHEDRO Cc1ccc(C(=O)C2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000329995637 862489638 /nfs/dbraw/zinc/48/96/38/862489638.db2.gz NNIADNFXPQTBLF-UHFFFAOYSA-N 1 0 383.536 3.821 20 30 GHEDRO CSC1(CNC(=O)c2ccccc2-c2ccccc2C#N)CC[NH+](C)CC1 ZINC000571013404 853714290 /nfs/dbraw/zinc/71/42/90/853714290.db2.gz NOYTWBQXKQVFBK-UHFFFAOYSA-N 1 0 379.529 3.782 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1O ZINC000164220630 853788963 /nfs/dbraw/zinc/78/89/63/853788963.db2.gz BWZDYJFZGJGGCA-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441254740 854038410 /nfs/dbraw/zinc/03/84/10/854038410.db2.gz FXODGFCGDCXNMI-HNAYVOBHSA-N 1 0 392.425 3.744 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000330047587 862531478 /nfs/dbraw/zinc/53/14/78/862531478.db2.gz HUKVBUICGLLHMS-APWZRJJASA-N 1 0 389.588 3.990 20 30 GHEDRO COc1cc(OC)c(OC)cc1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000156720342 854157208 /nfs/dbraw/zinc/15/72/08/854157208.db2.gz NEIMOLCDDXETHC-LJQANCHMSA-N 1 0 398.503 3.918 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000520387613 854159448 /nfs/dbraw/zinc/15/94/48/854159448.db2.gz YOASOXVXNDILSQ-PXNSSMCTSA-N 1 0 385.533 3.602 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NCc1cccs1)[n+]1ccc(C)cc1 ZINC000186961004 862537460 /nfs/dbraw/zinc/53/74/60/862537460.db2.gz VDQPWUMZUKIEKU-UHFFFAOYSA-O 1 0 386.522 3.677 20 30 GHEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000133411994 862541487 /nfs/dbraw/zinc/54/14/87/862541487.db2.gz RFCVEUFWJPGJPM-LPHOPBHVSA-N 1 0 385.533 3.521 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC(C3CCC3)C3CCC3)CC2)cc1 ZINC000588217327 854219756 /nfs/dbraw/zinc/21/97/56/854219756.db2.gz XKRLWRVYPDAERJ-UHFFFAOYSA-N 1 0 380.536 3.744 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000588278877 854267135 /nfs/dbraw/zinc/26/71/35/854267135.db2.gz JHKYMQHQKMTMQD-QHCPKHFHSA-N 1 0 390.487 3.697 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NCCc1ccccc1)[n+]1cccc(C)c1 ZINC000186959599 862551906 /nfs/dbraw/zinc/55/19/06/862551906.db2.gz JQIXRZMGASTYFG-UHFFFAOYSA-O 1 0 394.520 3.658 20 30 GHEDRO N#CC1(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCOCC1 ZINC000894985706 854364493 /nfs/dbraw/zinc/36/44/93/854364493.db2.gz IDBBJDCUKFMVCK-UHFFFAOYSA-N 1 0 381.398 3.560 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000188451515 854472670 /nfs/dbraw/zinc/47/26/70/854472670.db2.gz CKLMKJJWKNNNRF-QFIPXVFZSA-N 1 0 387.524 3.668 20 30 GHEDRO Cn1c(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)nc2cc(Cl)ccc21 ZINC000328676551 854499197 /nfs/dbraw/zinc/49/91/97/854499197.db2.gz ADXGLSOSNAXCOV-UHFFFAOYSA-N 1 0 389.931 3.591 20 30 GHEDRO CC(C)[NH+]1CCC(N(C)CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000328703123 854515477 /nfs/dbraw/zinc/51/54/77/854515477.db2.gz JZSFRJDCTZPVHI-UHFFFAOYSA-N 1 0 390.572 3.630 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3nccc(C#N)c3Cl)CC2)c1 ZINC000572490487 854521832 /nfs/dbraw/zinc/52/18/32/854521832.db2.gz DCUZWBGTCGMJBA-UHFFFAOYSA-N 1 0 383.927 3.929 20 30 GHEDRO C#CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000156956670 854534737 /nfs/dbraw/zinc/53/47/37/854534737.db2.gz MVEUFDQMTJPCSB-KNQAVFIVSA-N 1 0 376.500 3.824 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000624004159 862578168 /nfs/dbraw/zinc/57/81/68/862578168.db2.gz XNNDAPYZVDRCFQ-MDKPJZGXSA-N 1 0 386.517 3.729 20 30 GHEDRO C[C@@H]1CN(Cc2csc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)n2)C[C@H](C)O1 ZINC000328799865 854562224 /nfs/dbraw/zinc/56/22/24/854562224.db2.gz XZLUHGVYAAUOEU-HRCADAONSA-N 1 0 380.558 3.605 20 30 GHEDRO CC(C)(CNC(=O)N[C@@H]1CCCC12CCOCC2)[N@@H+]1CCc2ccccc2C1 ZINC000328854514 854577992 /nfs/dbraw/zinc/57/79/92/854577992.db2.gz XMQNIWLVUHJJQY-HXUWFJFHSA-N 1 0 385.552 3.676 20 30 GHEDRO N#Cc1cc(Cl)cc(Br)c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000429193913 862583010 /nfs/dbraw/zinc/58/30/10/862583010.db2.gz NUAQBHYLCQIVBI-UHFFFAOYSA-N 1 0 398.732 3.523 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000328890159 854598866 /nfs/dbraw/zinc/59/88/66/854598866.db2.gz RKHWUWJYTTYLNA-MSOLQXFVSA-N 1 0 399.457 3.771 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)C1 ZINC000328925999 854624958 /nfs/dbraw/zinc/62/49/58/854624958.db2.gz WELJKTNKJDYACS-BPQIPLTHSA-N 1 0 389.565 3.726 20 30 GHEDRO CC[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000328928412 854625286 /nfs/dbraw/zinc/62/52/86/854625286.db2.gz GMYDMFNLRRMNBO-PWRODBHTSA-N 1 0 398.551 3.568 20 30 GHEDRO O=C(CC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1c(Cl)cccc1Cl ZINC000328977051 854638302 /nfs/dbraw/zinc/63/83/02/854638302.db2.gz QIPHVNJBLOLMTE-APHBMKBZSA-N 1 0 387.307 3.833 20 30 GHEDRO Cc1cn2cc(C(=O)Nc3cccc(N4CC[NH+](C(C)C)CC4)c3)sc2n1 ZINC000328980955 854640370 /nfs/dbraw/zinc/64/03/70/854640370.db2.gz DNTNFRWLSGAFDF-UHFFFAOYSA-N 1 0 383.521 3.871 20 30 GHEDRO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc(Br)c1OC ZINC000330482120 854677237 /nfs/dbraw/zinc/67/72/37/854677237.db2.gz QVUHKFWAGHJNTR-UHFFFAOYSA-N 1 0 399.329 3.891 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c(F)cc1C ZINC000330582574 854704652 /nfs/dbraw/zinc/70/46/52/854704652.db2.gz UVTWVOOVNIDSKW-CABCVRRESA-N 1 0 379.476 3.661 20 30 GHEDRO COc1ccc(Br)c(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000330646392 854707179 /nfs/dbraw/zinc/70/71/79/854707179.db2.gz ULEWQGXDAYJSDA-AWEZNQCLSA-N 1 0 398.345 3.582 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCc2ccccc21 ZINC000458927963 854737037 /nfs/dbraw/zinc/73/70/37/854737037.db2.gz QUVNMYHJJNEAHV-JOCHJYFZSA-N 1 0 390.531 3.752 20 30 GHEDRO Cc1ccc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(F)c1Cl ZINC000330947813 854782424 /nfs/dbraw/zinc/78/24/24/854782424.db2.gz HTKCXIADXXYRJU-UHFFFAOYSA-N 1 0 397.922 3.719 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)C[C@H]1C ZINC000331108121 854806393 /nfs/dbraw/zinc/80/63/93/854806393.db2.gz HCHMUJCVNDSVJR-DGCLKSJQSA-N 1 0 385.867 3.616 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC000765782111 854813596 /nfs/dbraw/zinc/81/35/96/854813596.db2.gz JDUFWFAVHOPLBF-GCJKJVERSA-N 1 0 393.572 3.617 20 30 GHEDRO CCNC(=O)N(C)c1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000331230123 854821712 /nfs/dbraw/zinc/82/17/12/854821712.db2.gz ZZORDIBEYNEPDX-UHFFFAOYSA-N 1 0 375.517 3.503 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481993746 862611025 /nfs/dbraw/zinc/61/10/25/862611025.db2.gz OWSTXPWPBVWLDE-CVDCTZTESA-N 1 0 383.499 3.992 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c(C(F)(F)F)c1 ZINC000589504146 854910958 /nfs/dbraw/zinc/91/09/58/854910958.db2.gz KSIYELPUJXLHQW-FQEVSTJZSA-N 1 0 389.421 3.740 20 30 GHEDRO C=CC(C)(C)CNC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000458987996 855049601 /nfs/dbraw/zinc/04/96/01/855049601.db2.gz NMMACMWIYFSCFA-UHFFFAOYSA-N 1 0 388.556 3.525 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000056796123 855053118 /nfs/dbraw/zinc/05/31/18/855053118.db2.gz VXNAWLWPMGOYPT-OAQYLSRUSA-N 1 0 385.483 3.835 20 30 GHEDRO Cc1ccc2c(c1)CC[C@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000056843087 855091912 /nfs/dbraw/zinc/09/19/12/855091912.db2.gz VVVVCOOUGPGFGL-JOCHJYFZSA-N 1 0 376.504 3.627 20 30 GHEDRO C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000669340358 855123565 /nfs/dbraw/zinc/12/35/65/855123565.db2.gz ZLRNTSNIHCTGEB-GOSISDBHSA-N 1 0 397.571 3.725 20 30 GHEDRO CC(C)N(C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000054454751 855154662 /nfs/dbraw/zinc/15/46/62/855154662.db2.gz FPYWQNFOXVCFHW-UHFFFAOYSA-N 1 0 390.531 3.508 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CCC[C@@H](C)C2)cc1OC ZINC000589835439 855157371 /nfs/dbraw/zinc/15/73/71/855157371.db2.gz NFZBIXRVQNSZPU-OAHLLOKOSA-N 1 0 397.357 3.844 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Cl)c(OCCC)c(OC)c2)CC1 ZINC000106040422 855171338 /nfs/dbraw/zinc/17/13/38/855171338.db2.gz HDTGVEQHOUQKOS-UHFFFAOYSA-N 1 0 380.916 3.908 20 30 GHEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 ZINC000590045299 855250028 /nfs/dbraw/zinc/25/00/28/855250028.db2.gz ONMNGHLWAMTCCN-KXBFYZLASA-N 1 0 381.863 3.780 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000282296155 855299255 /nfs/dbraw/zinc/29/92/55/855299255.db2.gz LWHRAKTUMQLSTI-UHFFFAOYSA-N 1 0 389.337 3.500 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCCC[C@@H]1c1ccccc1 ZINC000330212218 862664585 /nfs/dbraw/zinc/66/45/85/862664585.db2.gz DMDHEAYHTYIJKF-VSKRKVRLSA-N 1 0 385.552 3.896 20 30 GHEDRO Cc1oc2nc(CN3CCC[C@H](C(=O)Nc4cccc(C)n4)C3)nc(N)c2c1C ZINC000330214086 862666640 /nfs/dbraw/zinc/66/66/40/862666640.db2.gz LKGAIQCAMVUIDH-HNNXBMFYSA-N 1 0 394.479 3.625 20 30 GHEDRO CC(C)COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000107603423 855492422 /nfs/dbraw/zinc/49/24/22/855492422.db2.gz DTZBALGYULODOY-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO Cc1ccc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000330242027 862687811 /nfs/dbraw/zinc/68/78/11/862687811.db2.gz WJBMQUCPAPTRHC-BHDDXSALSA-N 1 0 385.552 3.814 20 30 GHEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000590656420 855535059 /nfs/dbraw/zinc/53/50/59/855535059.db2.gz BVHCUXIMROVWNU-WMZOPIPTSA-N 1 0 382.533 3.819 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000590702267 855553222 /nfs/dbraw/zinc/55/32/22/855553222.db2.gz FHGVNFWUOBPSJF-AWEZNQCLSA-N 1 0 376.407 3.754 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(-c2ccccc2)nn1C ZINC000590778550 855580392 /nfs/dbraw/zinc/58/03/92/855580392.db2.gz OOAFBPNNUOEEMU-UWJYYQICSA-N 1 0 399.498 3.805 20 30 GHEDRO CCc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1CCC(C)C ZINC000427592180 855601996 /nfs/dbraw/zinc/60/19/96/855601996.db2.gz CWMAXHMWMMSTER-UHFFFAOYSA-N 1 0 395.551 3.567 20 30 GHEDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000301306342 855659480 /nfs/dbraw/zinc/65/94/80/855659480.db2.gz YVAHDWVZOZXZIB-OAHLLOKOSA-N 1 0 389.425 3.595 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000590950023 855671261 /nfs/dbraw/zinc/67/12/61/855671261.db2.gz DGNIVJGEUBPYGQ-QGZVFWFLSA-N 1 0 379.464 3.599 20 30 GHEDRO C[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC000301346511 855674055 /nfs/dbraw/zinc/67/40/55/855674055.db2.gz KQAJUGFKWXGJFF-HNNXBMFYSA-N 1 0 387.443 3.873 20 30 GHEDRO C[NH+](C)[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1cccc(F)c1 ZINC000301362063 855680168 /nfs/dbraw/zinc/68/01/68/855680168.db2.gz QNVICZAOGGNYSE-LJQANCHMSA-N 1 0 379.395 3.869 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000237187620 855687021 /nfs/dbraw/zinc/68/70/21/855687021.db2.gz CRHUCTDCYBNUAA-QGZVFWFLSA-N 1 0 376.497 3.618 20 30 GHEDRO C=CCC[C@@H](NC(=O)CCN1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441593424 855700698 /nfs/dbraw/zinc/70/06/98/855700698.db2.gz TYBIMDOFQACAJT-LJQANCHMSA-N 1 0 397.485 3.857 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)ccc1OC ZINC000060949148 855705431 /nfs/dbraw/zinc/70/54/31/855705431.db2.gz PSRBIYSUZYIIOH-FQEVSTJZSA-N 1 0 382.504 3.959 20 30 GHEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000591043256 855734906 /nfs/dbraw/zinc/73/49/06/855734906.db2.gz MXPQOSQUADYBSP-NQIIRXRSSA-N 1 0 395.528 3.729 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000591026612 855745897 /nfs/dbraw/zinc/74/58/97/855745897.db2.gz IXSDHFWMONUALR-JOCHJYFZSA-N 1 0 376.504 3.704 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCCCCC[NH+]2CCCCC2)c1C#N ZINC000554007913 855753273 /nfs/dbraw/zinc/75/32/73/855753273.db2.gz PJPNBOHHVUATLF-UHFFFAOYSA-N 1 0 386.565 3.939 20 30 GHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1nc(C(F)(F)F)ccc1C#N ZINC000301916390 855780630 /nfs/dbraw/zinc/78/06/30/855780630.db2.gz JACKLMDSLWGCDG-UHFFFAOYSA-N 1 0 375.398 3.720 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000301981033 855795674 /nfs/dbraw/zinc/79/56/74/855795674.db2.gz IJFXNKKQHDRTMY-KRWDZBQOSA-N 1 0 393.491 3.963 20 30 GHEDRO CC(=O)c1ccc(C#N)cc1NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000302027872 855803701 /nfs/dbraw/zinc/80/37/01/855803701.db2.gz AQAHAGPGQDPBNF-IAGOWNOFSA-N 1 0 377.488 3.982 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000482137916 862724093 /nfs/dbraw/zinc/72/40/93/862724093.db2.gz BFUBOBRSEPRMKA-IBGZPJMESA-N 1 0 394.519 3.840 20 30 GHEDRO N#Cc1cnc(N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000302313898 855852514 /nfs/dbraw/zinc/85/25/14/855852514.db2.gz UIDYNARRJVPEDT-UHFFFAOYSA-N 1 0 376.291 3.757 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591285067 855885249 /nfs/dbraw/zinc/88/52/49/855885249.db2.gz ULEDBCYENQBTFU-LJQANCHMSA-N 1 0 378.476 3.709 20 30 GHEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000441660194 855890139 /nfs/dbraw/zinc/89/01/39/855890139.db2.gz HPEMJALDVGHHHM-IBGZPJMESA-N 1 0 388.556 3.852 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000108552553 855934964 /nfs/dbraw/zinc/93/49/64/855934964.db2.gz LILADMSMDDOQRB-FPOVZHCZSA-N 1 0 383.467 3.520 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171155530 855991741 /nfs/dbraw/zinc/99/17/41/855991741.db2.gz RTLQWEKIURFACY-UHFFFAOYSA-N 1 0 385.487 3.850 20 30 GHEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000058052654 855991753 /nfs/dbraw/zinc/99/17/53/855991753.db2.gz XBBIUMJPGVJUDS-QGZVFWFLSA-N 1 0 385.489 3.803 20 30 GHEDRO Cc1ccc(OCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)c1 ZINC000303052510 856011481 /nfs/dbraw/zinc/01/14/81/856011481.db2.gz JQMVQBMTGZEDGC-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000591482775 856045366 /nfs/dbraw/zinc/04/53/66/856045366.db2.gz FMPLKCBSTOZLDF-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000530095701 856099502 /nfs/dbraw/zinc/09/95/02/856099502.db2.gz QAJQJZLUIOPTJT-UHFFFAOYSA-N 1 0 391.450 3.765 20 30 GHEDRO C[NH+](C)CCOC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000485120976 856114978 /nfs/dbraw/zinc/11/49/78/856114978.db2.gz ZYTWYBHYHIVVEW-UHFFFAOYSA-N 1 0 393.487 3.533 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000579586392 856149822 /nfs/dbraw/zinc/14/98/22/856149822.db2.gz MWEVWXWMPXTFBS-PKOBYXMFSA-N 1 0 395.551 3.929 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000248433424 856174221 /nfs/dbraw/zinc/17/42/21/856174221.db2.gz QRCUFOYSWYXMQS-FDDCHVKYSA-N 1 0 385.515 3.569 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](Cc3ccncc3)c3cccs3)CC2)nc1 ZINC000591654088 856208531 /nfs/dbraw/zinc/20/85/31/856208531.db2.gz YBHXJHUPVRYIBM-FQEVSTJZSA-N 1 0 389.528 3.952 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171680328 856228576 /nfs/dbraw/zinc/22/85/76/856228576.db2.gz QKMXMOASOHHTHW-IBGZPJMESA-N 1 0 393.453 3.717 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)C(=O)Nc3ccccc3C#N)C2)s1 ZINC000554852111 856237661 /nfs/dbraw/zinc/23/76/61/856237661.db2.gz SDIPJDIFZJSDNS-QZTJIDSGSA-N 1 0 396.560 3.709 20 30 GHEDRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2nc(C#N)cs2)CCOCC1 ZINC000573528529 856242380 /nfs/dbraw/zinc/24/23/80/856242380.db2.gz IYMTWCNMPSRRRJ-UHFFFAOYSA-N 1 0 377.897 3.515 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)CC#Cc1ccccc1 ZINC001128721783 856245972 /nfs/dbraw/zinc/24/59/72/856245972.db2.gz CORVDZOOUNYFSB-UHFFFAOYSA-N 1 0 392.499 3.874 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000172261900 856271509 /nfs/dbraw/zinc/27/15/09/856271509.db2.gz UINSFYRXODLLRM-KRWDZBQOSA-N 1 0 380.492 3.518 20 30 GHEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485286419 856308326 /nfs/dbraw/zinc/30/83/26/856308326.db2.gz LXCZUGGRXDWLTJ-FCHUYYIVSA-N 1 0 375.472 3.729 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2c(C#N)cnc3c(F)ccc(F)c32)CC1 ZINC000591822200 856327407 /nfs/dbraw/zinc/32/74/07/856327407.db2.gz BHMYKGFVGOLJAZ-CQSZACIVSA-N 1 0 393.441 3.839 20 30 GHEDRO C=CCCCCC[N@@H+](C)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000265742107 856337538 /nfs/dbraw/zinc/33/75/38/856337538.db2.gz CKGJLZZBXKHXJM-UHFFFAOYSA-N 1 0 375.469 3.941 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H](c3nccs3)C(F)(F)F)CC2)cc1 ZINC000600181752 856351491 /nfs/dbraw/zinc/35/14/91/856351491.db2.gz ZCVUMAVFRRGXLA-INIZCTEOSA-N 1 0 380.439 3.872 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)c2)c1 ZINC000172207519 856369376 /nfs/dbraw/zinc/36/93/76/856369376.db2.gz FLIRVLAHHUECOT-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC3 ZINC000485330681 856370486 /nfs/dbraw/zinc/37/04/86/856370486.db2.gz LCTGXZLOWVVFDB-MHECFPHRSA-N 1 0 398.510 3.991 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000109790457 856370699 /nfs/dbraw/zinc/37/06/99/856370699.db2.gz YAEYQVSKOOYELK-GGAORHGYSA-N 1 0 376.431 3.816 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000198383825 856448079 /nfs/dbraw/zinc/44/80/79/856448079.db2.gz GGNJNISGLUTVAR-UHFFFAOYSA-N 1 0 387.867 3.689 20 30 GHEDRO COC(=O)CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000110179827 856466317 /nfs/dbraw/zinc/46/63/17/856466317.db2.gz VFHVBCUWCVEQJM-UHFFFAOYSA-N 1 0 399.878 3.606 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000172584404 856491037 /nfs/dbraw/zinc/49/10/37/856491037.db2.gz XFIUGIHOJUMSGW-LAUBAEHRSA-N 1 0 394.494 3.892 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000573829709 856510948 /nfs/dbraw/zinc/51/09/48/856510948.db2.gz QWCUAVIFIUOBRW-PKOBYXMFSA-N 1 0 382.370 3.506 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1SCCc2sccc21 ZINC000172899509 856651478 /nfs/dbraw/zinc/65/14/78/856651478.db2.gz LHLLWQQZMHXDQR-IBGZPJMESA-N 1 0 385.558 3.541 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3ccc(OCC)cc3)n2)CC1 ZINC000592076621 856653104 /nfs/dbraw/zinc/65/31/04/856653104.db2.gz QBAZPXMAGHLXBG-UHFFFAOYSA-N 1 0 385.533 3.979 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592185104 856684541 /nfs/dbraw/zinc/68/45/41/856684541.db2.gz VWCWXBKCDKPRCT-IRXDYDNUSA-N 1 0 387.549 3.910 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592185105 856684638 /nfs/dbraw/zinc/68/46/38/856684638.db2.gz VWCWXBKCDKPRCT-SJORKVTESA-N 1 0 387.549 3.910 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cc1 ZINC000111051305 856760763 /nfs/dbraw/zinc/76/07/63/856760763.db2.gz CBNRKTXDDJMFRJ-JOCHJYFZSA-N 1 0 391.540 3.765 20 30 GHEDRO COc1cc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)ccc1C#N ZINC000592375335 856789104 /nfs/dbraw/zinc/78/91/04/856789104.db2.gz DJXDSKGWSQKTHK-QGZVFWFLSA-N 1 0 380.366 3.679 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 ZINC000593883565 862837341 /nfs/dbraw/zinc/83/73/41/862837341.db2.gz QDIUISGROBEGRF-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Sc1ccccc1 ZINC000173315172 856849476 /nfs/dbraw/zinc/84/94/76/856849476.db2.gz OGUHUEVMQARKCQ-GOSISDBHSA-N 1 0 396.560 3.812 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ncc(C#N)cc2Cl)[NH+]2CCCCC2)cc1 ZINC000427912672 856872108 /nfs/dbraw/zinc/87/21/08/856872108.db2.gz CBIKAUDPZCDXAL-LJQANCHMSA-N 1 0 398.894 3.572 20 30 GHEDRO N#Cc1sc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)nc1Cl ZINC000888406710 856950324 /nfs/dbraw/zinc/95/03/24/856950324.db2.gz GDTJQQKWDKOZCQ-UHFFFAOYSA-N 1 0 375.885 3.586 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)sc2c1CCCC2 ZINC000007589028 856950873 /nfs/dbraw/zinc/95/08/73/856950873.db2.gz DSLAVINVJILDIB-UHFFFAOYSA-N 1 0 394.544 3.649 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000520792167 856988828 /nfs/dbraw/zinc/98/88/28/856988828.db2.gz GUOUUJLGJDZAOW-UHFFFAOYSA-N 1 0 390.409 3.563 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000173567951 856997393 /nfs/dbraw/zinc/99/73/93/856997393.db2.gz CCDSLZFLYKEHSH-IBGZPJMESA-N 1 0 391.515 3.941 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000245608907 856999321 /nfs/dbraw/zinc/99/93/21/856999321.db2.gz ZZRDLLWQFUGLOC-ZBFHGGJFSA-N 1 0 383.492 3.914 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000733326107 862866564 /nfs/dbraw/zinc/86/65/64/862866564.db2.gz JJXDSKWCTKEOQX-LJQANCHMSA-N 1 0 379.378 3.811 20 30 GHEDRO COc1ccc(CCC[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485798375 857099567 /nfs/dbraw/zinc/09/95/67/857099567.db2.gz FGMIWBLJLOBNPD-JOCHJYFZSA-N 1 0 377.488 3.627 20 30 GHEDRO CC(C)(C)C[N@H+](CCCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000112567762 857151284 /nfs/dbraw/zinc/15/12/84/857151284.db2.gz STYMOFOUFGBGQV-UHFFFAOYSA-N 1 0 391.581 3.948 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000173824071 857165179 /nfs/dbraw/zinc/16/51/79/857165179.db2.gz CDXCCVWSGJVOCO-JKSUJKDBSA-N 1 0 399.466 3.829 20 30 GHEDRO COc1ccc(-c2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1C1(C#N)CC1 ZINC000592985792 857175205 /nfs/dbraw/zinc/17/52/05/857175205.db2.gz CPGVOJSZTFAQMP-UHFFFAOYSA-N 1 0 391.515 3.544 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173964206 857188313 /nfs/dbraw/zinc/18/83/13/857188313.db2.gz HRVROTOKTHXDOQ-GJZGRUSLSA-N 1 0 384.411 3.720 20 30 GHEDRO CN(CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173972747 857189761 /nfs/dbraw/zinc/18/97/61/857189761.db2.gz TUZYBPRHALGXHK-GOSISDBHSA-N 1 0 396.922 3.604 20 30 GHEDRO COc1ccc(C2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)nc1 ZINC000593041967 857196387 /nfs/dbraw/zinc/19/63/87/857196387.db2.gz UDPSLIQKDIQWJB-UHFFFAOYSA-N 1 0 387.487 3.742 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000174129231 857213977 /nfs/dbraw/zinc/21/39/77/857213977.db2.gz KPLLLTYRGPROCH-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)sc2C1 ZINC000246079835 857226924 /nfs/dbraw/zinc/22/69/24/857226924.db2.gz DFQOAVURCQSYNL-LSDHHAIUSA-N 1 0 397.548 3.676 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906661072 857231187 /nfs/dbraw/zinc/23/11/87/857231187.db2.gz NYPVNJFXOMXWAT-UHFFFAOYSA-N 1 0 391.924 3.749 20 30 GHEDRO Cc1cccc([C@H](C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000120984066 857262060 /nfs/dbraw/zinc/26/20/60/857262060.db2.gz KIIQWAKPPQIDCY-LJQANCHMSA-N 1 0 378.520 3.744 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000906792233 857319024 /nfs/dbraw/zinc/31/90/24/857319024.db2.gz JISJBYWMIPMUJJ-PGRDOPGGSA-N 1 0 381.545 3.978 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC2(CC1)OCc1ccccc12)C(C)C ZINC000675419281 857331131 /nfs/dbraw/zinc/33/11/31/857331131.db2.gz HXXOWUTWWOOVAM-JOCHJYFZSA-N 1 0 397.563 3.916 20 30 GHEDRO C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000174766545 857382091 /nfs/dbraw/zinc/38/20/91/857382091.db2.gz DVGWWDFSCBLKEK-KRWDZBQOSA-N 1 0 380.467 3.503 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000486178680 857519561 /nfs/dbraw/zinc/51/95/61/857519561.db2.gz REYGTKKAAMBXPQ-KRWDZBQOSA-N 1 0 398.320 3.989 20 30 GHEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H](C)C(=O)NC4(C#N)CCCCC4)C3)nc2c1 ZINC000130821590 857579955 /nfs/dbraw/zinc/57/99/55/857579955.db2.gz GUMLZAOHQQMXEZ-ROUUACIJSA-N 1 0 393.535 3.782 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000593527098 857596902 /nfs/dbraw/zinc/59/69/02/857596902.db2.gz OYUCMKOXMKEPLL-UHFFFAOYSA-N 1 0 397.544 3.562 20 30 GHEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)C1 ZINC000592502349 857614775 /nfs/dbraw/zinc/61/47/75/857614775.db2.gz QURFUFHTOSLIQJ-QWQRMKEZSA-N 1 0 389.425 3.898 20 30 GHEDRO C=CCN1CC[C@@H]([NH+]2CCC(c3nc(-c4ccccc4OC)cs3)CC2)C1=O ZINC000281280388 862933289 /nfs/dbraw/zinc/93/32/89/862933289.db2.gz IRTLGWUCPHXXEU-LJQANCHMSA-N 1 0 397.544 3.785 20 30 GHEDRO CC[NH+](CC)CCC[C@@H](C)NC=C1C(=O)CC(c2cccc(OC)c2)CC1=O ZINC000121011692 857651663 /nfs/dbraw/zinc/65/16/63/857651663.db2.gz MEMPCKOBGXMYCC-DUSLRRAJSA-N 1 0 386.536 3.695 20 30 GHEDRO C=CCN1CC[C@@H]([NH+]2CCC(c3ccc(Br)c(C)c3)CC2)C1=O ZINC000499646993 858036838 /nfs/dbraw/zinc/03/68/38/858036838.db2.gz OVFBVHOCAYBFAG-GOSISDBHSA-N 1 0 377.326 3.724 20 30 GHEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594431434 858175594 /nfs/dbraw/zinc/17/55/94/858175594.db2.gz MLHXQXVIGSVMIF-LEWJYISDSA-N 1 0 383.467 3.646 20 30 GHEDRO CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594433830 858176557 /nfs/dbraw/zinc/17/65/57/858176557.db2.gz HVJRSHLIYDVEEI-NKELODKYSA-N 1 0 385.508 3.734 20 30 GHEDRO CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)Cc1cccc(Br)c1 ZINC000594444420 858178824 /nfs/dbraw/zinc/17/88/24/858178824.db2.gz LVOGHENEDOHPPY-RHSMWYFYSA-N 1 0 380.330 3.545 20 30 GHEDRO CCCc1c(NC2CC[NH+](C[C@H]3CCCO3)CC2)cnn1-c1cccc(C#N)c1 ZINC000594502136 858194255 /nfs/dbraw/zinc/19/42/55/858194255.db2.gz XOEQBNKUOYQLIH-OAQYLSRUSA-N 1 0 393.535 3.752 20 30 GHEDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594519698 858207512 /nfs/dbraw/zinc/20/75/12/858207512.db2.gz XVJUWPSVWBQBLS-AWEZNQCLSA-N 1 0 386.293 3.540 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)c1 ZINC000594935614 858339164 /nfs/dbraw/zinc/33/91/64/858339164.db2.gz GQUCBAJGWGSEHA-LJQANCHMSA-N 1 0 377.488 3.627 20 30 GHEDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000594960262 858346103 /nfs/dbraw/zinc/34/61/03/858346103.db2.gz INTNBVSBXJKPDI-NTOOTBGVSA-N 1 0 382.529 3.917 20 30 GHEDRO CC(C)[C@H](O)[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000594990566 858359570 /nfs/dbraw/zinc/35/95/70/858359570.db2.gz SRWXGFJOJKNJQY-RPWUZVMVSA-N 1 0 377.532 3.870 20 30 GHEDRO CC(C)[C@H](O)[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000594990567 858359886 /nfs/dbraw/zinc/35/98/86/858359886.db2.gz SRWXGFJOJKNJQY-ZEQRLZLVSA-N 1 0 377.532 3.870 20 30 GHEDRO CN(c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1)C1CC[NH+](C)CC1 ZINC000079147418 858410499 /nfs/dbraw/zinc/41/04/99/858410499.db2.gz ASMNGPLPTOGWSO-UHFFFAOYSA-N 1 0 376.504 3.660 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)Cc3ccccc3CC#N)CCC[N@@H+]2C)cc1 ZINC000761104205 858454886 /nfs/dbraw/zinc/45/48/86/858454886.db2.gz CSILEUWTGAZQJL-ZJSXRUAMSA-N 1 0 392.499 3.930 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)Cc3ccccc3CC#N)CCC[N@@H+]2C)cc1 ZINC000761104197 858455323 /nfs/dbraw/zinc/45/53/23/858455323.db2.gz CSILEUWTGAZQJL-QPPBQGQZSA-N 1 0 392.499 3.930 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000115320623 858487356 /nfs/dbraw/zinc/48/73/56/858487356.db2.gz XKDHOQLHOCQAGG-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115369326 858508451 /nfs/dbraw/zinc/50/84/51/858508451.db2.gz LGSQVJRUTVGKBX-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n(C(C)(C)C)n1 ZINC000593004192 858526311 /nfs/dbraw/zinc/52/63/11/858526311.db2.gz SIFHRDDVCLWEMJ-UHFFFAOYSA-N 1 0 394.523 3.604 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)CC2 ZINC000575112830 858569148 /nfs/dbraw/zinc/56/91/48/858569148.db2.gz DQICOOTZTRQNIE-QFBILLFUSA-N 1 0 376.378 3.594 20 30 GHEDRO N#Cc1ccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000575156507 858611817 /nfs/dbraw/zinc/61/18/17/858611817.db2.gz XWEVFXYFDMMTGQ-UHFFFAOYSA-N 1 0 397.544 3.554 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCC[C@H](CC#N)C1 ZINC000595619973 858618932 /nfs/dbraw/zinc/61/89/32/858618932.db2.gz IGDVKUBBMUAGHX-JKSUJKDBSA-N 1 0 396.516 3.953 20 30 GHEDRO CC1(C)C[C@@H]([N@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccccc2)CO1 ZINC000595637961 858625788 /nfs/dbraw/zinc/62/57/88/858625788.db2.gz OFPWOQIUTBUFHD-HXUWFJFHSA-N 1 0 377.488 3.957 20 30 GHEDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)ccc1OCc1cccc(C#N)c1 ZINC000595784410 858685844 /nfs/dbraw/zinc/68/58/44/858685844.db2.gz VKNVPVJZZATVTB-FCHUYYIVSA-N 1 0 378.472 3.539 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595785258 858687193 /nfs/dbraw/zinc/68/71/93/858687193.db2.gz CVDGTRFJTOADCN-QFIPXVFZSA-N 1 0 383.536 3.831 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595790919 858689818 /nfs/dbraw/zinc/68/98/18/858689818.db2.gz ZNWQRNRDHIJKIH-CUAYSMCZSA-N 1 0 375.557 3.587 20 30 GHEDRO N#CCCn1cc(CNc2[nH+]ccn2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000508456451 863060222 /nfs/dbraw/zinc/06/02/22/863060222.db2.gz DLOJMVPGLHOJQG-UHFFFAOYSA-N 1 0 383.459 3.716 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000183625525 858783440 /nfs/dbraw/zinc/78/34/40/858783440.db2.gz DMNZJRGLFOTHMU-OXQOHEQNSA-N 1 0 379.460 3.825 20 30 GHEDRO CC(C)(NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000596120893 858784963 /nfs/dbraw/zinc/78/49/63/858784963.db2.gz CAWZFSQUTBFICI-UHFFFAOYSA-N 1 0 376.504 3.889 20 30 GHEDRO Cc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000080079255 858788620 /nfs/dbraw/zinc/78/86/20/858788620.db2.gz YGKWDHVZAAZHOM-IBGZPJMESA-N 1 0 376.504 3.845 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116025448 858790318 /nfs/dbraw/zinc/79/03/18/858790318.db2.gz PEVZPEBMPXKIHM-QZTJIDSGSA-N 1 0 383.442 3.530 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116025449 858790559 /nfs/dbraw/zinc/79/05/59/858790559.db2.gz PEVZPEBMPXKIHM-MSOLQXFVSA-N 1 0 383.442 3.530 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000596309391 858853608 /nfs/dbraw/zinc/85/36/08/858853608.db2.gz WBGHKJXXVGQYKM-YJBOKZPZSA-N 1 0 394.441 3.615 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596422119 858892876 /nfs/dbraw/zinc/89/28/76/858892876.db2.gz AKROEUGMCJVZTE-SFHVURJKSA-N 1 0 375.394 3.756 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120215019 881363005 /nfs/dbraw/zinc/36/30/05/881363005.db2.gz XGPRTZBKCGRMPU-FCHUYYIVSA-N 1 0 396.579 3.766 20 30 GHEDRO C[C@@H](C1CC1)n1nccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593183387 858914591 /nfs/dbraw/zinc/91/45/91/858914591.db2.gz VHAYXDOXFUOFSK-INIZCTEOSA-N 1 0 392.507 3.512 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000596502091 858929584 /nfs/dbraw/zinc/92/95/84/858929584.db2.gz BKUBWOUIHPCRDB-PKTZIBPZSA-N 1 0 390.531 3.990 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161655937 859067422 /nfs/dbraw/zinc/06/74/22/859067422.db2.gz REEVPJUHGYIMMC-OAHLLOKOSA-N 1 0 397.910 3.582 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC[C@H]21 ZINC000248173109 859083051 /nfs/dbraw/zinc/08/30/51/859083051.db2.gz VCCPZCWMOJGFKS-NFBKMPQASA-N 1 0 389.499 3.694 20 30 GHEDRO CCCc1c(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cnn1-c1cccc(C#N)c1 ZINC000596852235 859096839 /nfs/dbraw/zinc/09/68/39/859096839.db2.gz FOROPXLZWHVLHC-GOSISDBHSA-N 1 0 394.523 3.691 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CCCC2)nc1)Nc1ccccc1OC(F)(F)F ZINC000160651872 859097441 /nfs/dbraw/zinc/09/74/41/859097441.db2.gz TVNLOBKWPNRJDB-UHFFFAOYSA-N 1 0 379.386 3.507 20 30 GHEDRO Cc1cc(F)cc2[nH]c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc21 ZINC000116729649 859120944 /nfs/dbraw/zinc/12/09/44/859120944.db2.gz BZIIWVJWVUSMQQ-UHFFFAOYSA-N 1 0 378.451 3.691 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000596895613 859132968 /nfs/dbraw/zinc/13/29/68/859132968.db2.gz VUKXPXTWTQCQPH-LBPRGKRZSA-N 1 0 384.402 3.699 20 30 GHEDRO CC#CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483105832 859149796 /nfs/dbraw/zinc/14/97/96/859149796.db2.gz RKADQMSURDWNIR-FUHWJXTLSA-N 1 0 381.442 3.801 20 30 GHEDRO C=C(C)CC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000509370926 859200173 /nfs/dbraw/zinc/20/01/73/859200173.db2.gz IFDRTWJSPBLQIQ-UHFFFAOYSA-N 1 0 380.414 3.839 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1OC(F)(F)F ZINC000025254793 859206228 /nfs/dbraw/zinc/20/62/28/859206228.db2.gz VYFLOFXXFRAWCX-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)s1 ZINC000597111847 859287496 /nfs/dbraw/zinc/28/74/96/859287496.db2.gz UOUPISVOLMRKME-UHFFFAOYSA-N 1 0 389.528 3.877 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000108706722 859340890 /nfs/dbraw/zinc/34/08/90/859340890.db2.gz IUOWCRWNCQAFRE-UHFFFAOYSA-N 1 0 398.510 3.501 20 30 GHEDRO C=CCCn1cc(C[N@H+]2C[C@H](c3ccc(Br)cc3)C[C@H]2C)nn1 ZINC000626041100 859400272 /nfs/dbraw/zinc/40/02/72/859400272.db2.gz QPMJQWAVPHJPSO-GDBMZVCRSA-N 1 0 375.314 3.995 20 30 GHEDRO N#CC1(c2ccccc2)CCC(n2cc(C[C@H]([NH3+])C(N)=O)c3ccccc32)CC1 ZINC001170362239 881425997 /nfs/dbraw/zinc/42/59/97/881425997.db2.gz RJIMKQMLVIIZAV-MMPATGFWSA-N 1 0 386.499 3.573 20 30 GHEDRO CCC[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593337662 859484376 /nfs/dbraw/zinc/48/43/76/859484376.db2.gz FMFZYSGACPFOBQ-QFIPXVFZSA-N 1 0 391.519 3.758 20 30 GHEDRO Cc1ccc([C@H](C)CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593347801 859518930 /nfs/dbraw/zinc/51/89/30/859518930.db2.gz JKUVBXSACNWDGD-LJQANCHMSA-N 1 0 390.531 3.934 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)c1 ZINC000593352824 859536975 /nfs/dbraw/zinc/53/69/75/859536975.db2.gz FDSCLABMVPEGEV-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CSc4ccccc43)CC2)c1 ZINC000593355062 859557847 /nfs/dbraw/zinc/55/78/47/859557847.db2.gz VUDKVNNHLXNQSX-HXUWFJFHSA-N 1 0 377.513 3.528 20 30 GHEDRO N#CC1(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000597475616 859563074 /nfs/dbraw/zinc/56/30/74/859563074.db2.gz LGUSFQWVAGLRPH-WIYYLYMNSA-N 1 0 387.474 3.877 20 30 GHEDRO CC(C)Cc1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000593356260 859568083 /nfs/dbraw/zinc/56/80/83/859568083.db2.gz VKCIWLWDBKCMLM-UHFFFAOYSA-N 1 0 382.533 3.608 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCOc3ccc(Cl)cc3)CC2)c1 ZINC000593356198 859568412 /nfs/dbraw/zinc/56/84/12/859568412.db2.gz UMYNEFMSIVLQNU-UHFFFAOYSA-N 1 0 397.906 3.761 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc2c(c1)CCC2 ZINC000060575885 859572556 /nfs/dbraw/zinc/57/25/56/859572556.db2.gz LELLOKIXSODIMV-UHFFFAOYSA-N 1 0 393.556 3.729 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c(F)c1 ZINC000611029102 859580142 /nfs/dbraw/zinc/58/01/42/859580142.db2.gz BGYBOVKFKCIHKH-ZWKOTPCHSA-N 1 0 391.446 3.784 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000474190932 859583871 /nfs/dbraw/zinc/58/38/71/859583871.db2.gz GJSQWQHRXDLMJJ-FQEVSTJZSA-N 1 0 376.504 3.773 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1C#N ZINC000611110071 859613816 /nfs/dbraw/zinc/61/38/16/859613816.db2.gz ZWOYYMCRAWQUQN-IBGZPJMESA-N 1 0 398.551 3.779 20 30 GHEDRO CC1(C)C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN1Cc1ccccc1 ZINC000611193022 859642664 /nfs/dbraw/zinc/64/26/64/859642664.db2.gz QGANGQMSQCQPMX-QFIPXVFZSA-N 1 0 389.547 3.565 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000611229887 859660700 /nfs/dbraw/zinc/66/07/00/859660700.db2.gz ODQSDIUZGUPACW-FHWLQOOXSA-N 1 0 376.504 3.924 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000611387058 859731763 /nfs/dbraw/zinc/73/17/63/859731763.db2.gz DSDKVSNUSPKJMC-KGLIPLIRSA-N 1 0 391.393 3.985 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1cccc(C#N)c1 ZINC000611386614 859732015 /nfs/dbraw/zinc/73/20/15/859732015.db2.gz PXDTYPXTOADVLA-INIZCTEOSA-N 1 0 397.548 3.536 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2C[NH+]2CCCC2)c1=S ZINC000765006917 859734986 /nfs/dbraw/zinc/73/49/86/859734986.db2.gz ATVIGWFQXRDEDM-LJQANCHMSA-N 1 0 398.580 3.570 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(C#N)ccc43)C2)c1 ZINC000611393663 859735937 /nfs/dbraw/zinc/73/59/37/859735937.db2.gz JWULHEVYNBXUON-WZONZLPQSA-N 1 0 377.488 3.821 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1=S ZINC000765023891 859750043 /nfs/dbraw/zinc/75/00/43/859750043.db2.gz ABHNUVXVJVMNEW-IBGZPJMESA-N 1 0 397.592 3.951 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)C2 ZINC000597717111 859760674 /nfs/dbraw/zinc/76/06/74/859760674.db2.gz ZBAROXNZOGQTLF-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(C)nn(C)c1C ZINC000543456401 859769325 /nfs/dbraw/zinc/76/93/25/859769325.db2.gz GFEZMXQBEYBVDP-PBHICJAKSA-N 1 0 399.564 3.968 20 30 GHEDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1OCc1ccccc1 ZINC000611465633 859770580 /nfs/dbraw/zinc/77/05/80/859770580.db2.gz NIMPLIOSDUCWEH-YADHBBJMSA-N 1 0 390.531 3.896 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000611473325 859772867 /nfs/dbraw/zinc/77/28/67/859772867.db2.gz FIULDYSGHNUWDL-ZEQRLZLVSA-N 1 0 375.516 3.552 20 30 GHEDRO Cc1ccc([C@@H]2C[C@H]2NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593417991 859793564 /nfs/dbraw/zinc/79/35/64/859793564.db2.gz QNFPSYTWEHRKFF-XZOQPEGZSA-N 1 0 388.515 3.686 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCC(C)(C)CO ZINC000925129504 859839218 /nfs/dbraw/zinc/83/92/18/859839218.db2.gz JBAGAKFUNCFNRM-QGZVFWFLSA-N 1 0 381.561 3.694 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499183423 881469202 /nfs/dbraw/zinc/46/92/02/881469202.db2.gz BHZSAXBOKMQFPT-AZUAARDMSA-N 1 0 397.519 3.523 20 30 GHEDRO C=CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000597886242 859894218 /nfs/dbraw/zinc/89/42/18/859894218.db2.gz WDWNRBKLORMAHS-NRFANRHFSA-N 1 0 379.504 3.773 20 30 GHEDRO COc1cccc(Oc2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cn2)c1 ZINC000123347494 859931985 /nfs/dbraw/zinc/93/19/85/859931985.db2.gz RWJMNMZLNUDUSO-UHFFFAOYSA-N 1 0 385.427 3.692 20 30 GHEDRO CC(C)(NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000597948265 859953061 /nfs/dbraw/zinc/95/30/61/859953061.db2.gz GOCOQTWTSFTUJK-UHFFFAOYSA-N 1 0 390.531 3.512 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnc(Cl)c(Br)c2C)CC1 ZINC000760072052 859995395 /nfs/dbraw/zinc/99/53/95/859995395.db2.gz ZYGDYDGSXDAYQT-UHFFFAOYSA-N 1 0 387.709 3.578 20 30 GHEDRO CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598042586 860019452 /nfs/dbraw/zinc/01/94/52/860019452.db2.gz QDXGDOQVZPYQAA-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)CNc3ccc(C#N)cc3)sc2c1)C1CC1 ZINC000598025931 860023858 /nfs/dbraw/zinc/02/38/58/860023858.db2.gz DCKNGBPFOMRBKM-UHFFFAOYSA-N 1 0 391.500 3.813 20 30 GHEDRO C=CC[NH+]1CCC(N2C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)CC1 ZINC000761255999 860043533 /nfs/dbraw/zinc/04/35/33/860043533.db2.gz YVARQURTTZNRQU-MRXNPFEDSA-N 1 0 382.291 3.579 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000171944102 860044550 /nfs/dbraw/zinc/04/45/50/860044550.db2.gz JNRYEZVBLWOJKP-LJQANCHMSA-N 1 0 395.507 3.624 20 30 GHEDRO C[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511620 860074900 /nfs/dbraw/zinc/07/49/00/860074900.db2.gz NEOZNLXHATYJJD-SFHVURJKSA-N 1 0 388.515 3.852 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]CCCOc3cccc(C#N)c3)CCN2C2CC2)c1 ZINC000555127134 860076886 /nfs/dbraw/zinc/07/68/86/860076886.db2.gz ASCVFQRHTASLIK-RPWUZVMVSA-N 1 0 391.515 3.903 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3nc(C(F)F)nc4ccccc43)CC2)c1 ZINC000593515758 860105071 /nfs/dbraw/zinc/10/50/71/860105071.db2.gz SAXQVUZLZFDLTG-UHFFFAOYSA-N 1 0 393.441 3.937 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000602554056 860107083 /nfs/dbraw/zinc/10/70/83/860107083.db2.gz ZATVWGSVCUOJJY-VQIMIIECSA-N 1 0 395.469 3.968 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@@H](C)CCC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000602558382 860109122 /nfs/dbraw/zinc/10/91/22/860109122.db2.gz PPESHGBVBBGJID-HRAATJIYSA-N 1 0 386.517 3.718 20 30 GHEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602560024 860111917 /nfs/dbraw/zinc/11/19/17/860111917.db2.gz HQLRKGWCFMCFAP-UKPHBRMFSA-N 1 0 378.314 3.565 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c([N+](=O)[O-])cc1F ZINC000593516432 860118494 /nfs/dbraw/zinc/11/84/94/860118494.db2.gz YOKVJCGIFVATGW-UHFFFAOYSA-N 1 0 384.411 3.691 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC001170387542 881503884 /nfs/dbraw/zinc/50/38/84/881503884.db2.gz WZPDNABHIAOGKC-UHFFFAOYSA-N 1 0 391.490 3.988 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(OC)c1 ZINC000557021559 881507080 /nfs/dbraw/zinc/50/70/80/881507080.db2.gz CZECFYXKTSUAJK-TZIWHRDSSA-N 1 0 385.479 3.792 20 30 GHEDRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000484634171 860186886 /nfs/dbraw/zinc/18/68/86/860186886.db2.gz CORYIXCECTVVTJ-UNMCSNQZSA-N 1 0 398.528 3.620 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c(-c2ccccc2)n1 ZINC000602713494 860225926 /nfs/dbraw/zinc/22/59/26/860225926.db2.gz CDEDVGMJLGXMFN-QFIPXVFZSA-N 1 0 387.487 3.650 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC001183044574 912212903 /nfs/dbraw/zinc/21/29/03/912212903.db2.gz KPUGIVQRCWZCHC-UHFFFAOYSA-N 1 0 385.508 3.570 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000329240948 860317592 /nfs/dbraw/zinc/31/75/92/860317592.db2.gz NCCCTUJCFSRBEC-QFIPXVFZSA-N 1 0 375.472 3.639 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000904313372 860329159 /nfs/dbraw/zinc/32/91/59/860329159.db2.gz ZIZNWIZWNDGQAA-WIYYLYMNSA-N 1 0 398.551 3.872 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)NC1CC[NH+](C)CC1 ZINC000727978995 860346954 /nfs/dbraw/zinc/34/69/54/860346954.db2.gz SHJABPXYJVIUTE-UHFFFAOYSA-N 1 0 394.544 3.826 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)nc1 ZINC000602905787 860357612 /nfs/dbraw/zinc/35/76/12/860357612.db2.gz CKUSJLSJIKFBGZ-UHFFFAOYSA-N 1 0 378.867 3.567 20 30 GHEDRO C[N@H+](Cc1ccccc1NS(=O)(=O)CC1(C#N)CCC1)C1CCCCC1 ZINC000474585727 860405364 /nfs/dbraw/zinc/40/53/64/860405364.db2.gz VVPOYCAGVMCYFU-UHFFFAOYSA-N 1 0 375.538 3.887 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCCn3nccc32)c1C#N ZINC000603029114 860438016 /nfs/dbraw/zinc/43/80/16/860438016.db2.gz WHJNCBQGAYOGHM-LJQANCHMSA-N 1 0 394.523 3.742 20 30 GHEDRO C[NH+]1CCC(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000728175419 860449694 /nfs/dbraw/zinc/44/96/94/860449694.db2.gz TUXFBTXBWBBUJN-UHFFFAOYSA-N 1 0 398.507 3.657 20 30 GHEDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000593594160 860476892 /nfs/dbraw/zinc/47/68/92/860476892.db2.gz MYLOVZCVWGNIHQ-UHFFFAOYSA-N 1 0 386.503 3.514 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000598646126 860479900 /nfs/dbraw/zinc/47/99/00/860479900.db2.gz LDRYHUWDXIHJJK-LAUBAEHRSA-N 1 0 380.488 3.596 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000598699657 860512424 /nfs/dbraw/zinc/51/24/24/860512424.db2.gz HMAFQLGQHLGTHH-PMACEKPBSA-N 1 0 383.561 3.738 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000598699185 860512554 /nfs/dbraw/zinc/51/25/54/860512554.db2.gz CKARWNQGPRTQSH-QGZVFWFLSA-N 1 0 384.442 3.644 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000598715469 860526505 /nfs/dbraw/zinc/52/65/05/860526505.db2.gz RFIGXMOHJSXBIH-JOCHJYFZSA-N 1 0 388.515 3.989 20 30 GHEDRO C=CCn1c(-c2sccc2C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000509013405 860544436 /nfs/dbraw/zinc/54/44/36/860544436.db2.gz UCLSFQXNVVNHPQ-UHFFFAOYSA-N 1 0 399.589 3.927 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)C[C@H]1CCNC(=O)OC(C)(C)C ZINC000896241341 860572195 /nfs/dbraw/zinc/57/21/95/860572195.db2.gz SPSHCFAYUYKVSD-UKRRQHHQSA-N 1 0 378.904 3.589 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)CC1 ZINC001170380911 881555691 /nfs/dbraw/zinc/55/56/91/881555691.db2.gz BBVBPBYFOKHIFK-JWIPTRERSA-N 1 0 399.538 3.996 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000624984624 860615835 /nfs/dbraw/zinc/61/58/35/860615835.db2.gz JSGVWYFPVGBIQJ-IZBJGVDFSA-N 1 0 385.556 3.547 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1OC ZINC000598966682 860695078 /nfs/dbraw/zinc/69/50/78/860695078.db2.gz ZWJZWAYDNSPTJB-RUZDIDTESA-N 1 0 379.909 3.941 20 30 GHEDRO COc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCc1cccc(C#N)c1 ZINC000429025415 860727898 /nfs/dbraw/zinc/72/78/98/860727898.db2.gz YOQXAAKPXQGWAN-DEOSSOPVSA-N 1 0 391.515 3.673 20 30 GHEDRO CC[N@H+](CC(=O)NCC#N)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC000522470544 860762410 /nfs/dbraw/zinc/76/24/10/860762410.db2.gz BCVHVQBOWDXXND-UHFFFAOYSA-N 1 0 379.504 3.653 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000156433678 860783285 /nfs/dbraw/zinc/78/32/85/860783285.db2.gz NEMHRRRRNXHLNO-SFHVURJKSA-N 1 0 397.544 3.806 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599083973 860786720 /nfs/dbraw/zinc/78/67/20/860786720.db2.gz RVDHCTGMQMOGPH-DFQSSKMNSA-N 1 0 381.545 3.972 20 30 GHEDRO C/C=C/C[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000599093873 860792303 /nfs/dbraw/zinc/79/23/03/860792303.db2.gz XJWGMUQLTFKXIU-PHXNAMCJSA-N 1 0 380.536 3.910 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)O[C@@H](C)C2 ZINC000593688496 860825072 /nfs/dbraw/zinc/82/50/72/860825072.db2.gz UPZQUOKHBOKWMU-KRWDZBQOSA-N 1 0 391.515 3.644 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000429060853 860905251 /nfs/dbraw/zinc/90/52/51/860905251.db2.gz FFAHUPPEVBOHEO-VQIMIIECSA-N 1 0 378.476 3.599 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1OC ZINC000623361443 860921792 /nfs/dbraw/zinc/92/17/92/860921792.db2.gz CLSROVCCSYZVFB-CYBMUJFWSA-N 1 0 392.849 3.887 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1OC ZINC000623353941 860925276 /nfs/dbraw/zinc/92/52/76/860925276.db2.gz CLTBOYKNLIYLFR-UHFFFAOYSA-N 1 0 380.916 3.650 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000599202559 860943116 /nfs/dbraw/zinc/94/31/16/860943116.db2.gz MMYHEMMECZFPOK-UHFFFAOYSA-N 1 0 376.504 3.845 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)C12CCOCC2 ZINC000329023661 860953777 /nfs/dbraw/zinc/95/37/77/860953777.db2.gz UNRDDOVCOOSKJM-HOTGVXAUSA-N 1 0 397.313 3.601 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000603637943 860966361 /nfs/dbraw/zinc/96/63/61/860966361.db2.gz PJXDLAIFIHOKPO-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000600092847 860978610 /nfs/dbraw/zinc/97/86/10/860978610.db2.gz KEKVDAVBNIKQDP-VAMGGRTRSA-N 1 0 394.544 3.511 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000600092848 860978834 /nfs/dbraw/zinc/97/88/34/860978834.db2.gz KEKVDAVBNIKQDP-XUVXKRRUSA-N 1 0 394.544 3.511 20 30 GHEDRO Cc1ccc(-c2nc(CCNC(=O)N3CCCC34CC[NH+](C)CC4)co2)cc1 ZINC000329061648 860984780 /nfs/dbraw/zinc/98/47/80/860984780.db2.gz JSEJTHQGLNEFQH-UHFFFAOYSA-N 1 0 382.508 3.667 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CCOCC1 ZINC000599265120 860996345 /nfs/dbraw/zinc/99/63/45/860996345.db2.gz RLWSQEFBZDKKQT-HZPDHXFCSA-N 1 0 380.891 3.557 20 30 GHEDRO CN(C)c1c(F)c(F)ccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000600117684 861023719 /nfs/dbraw/zinc/02/37/19/861023719.db2.gz WROTZNLPDZMZSW-UHFFFAOYSA-N 1 0 398.457 3.753 20 30 GHEDRO CC(=O)Nc1cccc(OCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000329116576 861034089 /nfs/dbraw/zinc/03/40/89/861034089.db2.gz NLXAHZICNBMBSO-UHFFFAOYSA-N 1 0 388.512 3.538 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000599313876 861045479 /nfs/dbraw/zinc/04/54/79/861045479.db2.gz POXGEWHMQNYMEL-QGZVFWFLSA-N 1 0 389.293 3.585 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000603690161 861048722 /nfs/dbraw/zinc/04/87/22/861048722.db2.gz XLISSLUXRUKYJN-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO COc1ccc([C@H](OC)[C@@H](C)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000329149849 861067140 /nfs/dbraw/zinc/06/71/40/861067140.db2.gz QZUIYGAMCWJNHL-DYESRHJHSA-N 1 0 389.540 3.636 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000329154825 861076267 /nfs/dbraw/zinc/07/62/67/861076267.db2.gz UVPLFRXYWYLXRR-QFIPXVFZSA-N 1 0 381.524 3.571 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c3ncccc23)CC1 ZINC000667867499 861095902 /nfs/dbraw/zinc/09/59/02/861095902.db2.gz BUYWJDUIDUSMLX-UHFFFAOYSA-N 1 0 389.297 3.769 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(C)(C)C ZINC000599354431 861097309 /nfs/dbraw/zinc/09/73/09/861097309.db2.gz VOUJKTKFTFWDDI-WOJBJXKFSA-N 1 0 388.552 3.758 20 30 GHEDRO C=CCOc1c(Cl)cc(CNCc2c(CC)nn(C)c2OC)cc1OC ZINC000623481468 861108389 /nfs/dbraw/zinc/10/83/89/861108389.db2.gz GNOYSFODBPVMGI-UHFFFAOYSA-N 1 0 379.888 3.508 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000599358908 861120998 /nfs/dbraw/zinc/12/09/98/861120998.db2.gz IQQGZGNGDKXEMJ-OWCLPIDISA-N 1 0 384.442 3.858 20 30 GHEDRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3=CC[N@H+](C)CC3)c12 ZINC000329219169 861155871 /nfs/dbraw/zinc/15/58/71/861155871.db2.gz SHJAOUARGCQPFE-UHFFFAOYSA-N 1 0 381.524 3.939 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)CC1 ZINC000730548388 861161908 /nfs/dbraw/zinc/16/19/08/861161908.db2.gz ADFTYTSEHKGBKA-UHFFFAOYSA-N 1 0 377.460 3.553 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1OC ZINC000623544219 861164899 /nfs/dbraw/zinc/16/48/99/861164899.db2.gz SWSDGFBFCUZRHC-CRAIPNDOSA-N 1 0 391.899 3.657 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(Oc2cccnc2)cc1 ZINC000599422748 861165009 /nfs/dbraw/zinc/16/50/09/861165009.db2.gz WQUJTIRNERORBG-MJGOQNOKSA-N 1 0 381.476 3.596 20 30 GHEDRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C1CCN(CC#N)CC1 ZINC000730579158 861168378 /nfs/dbraw/zinc/16/83/78/861168378.db2.gz XUPRYVUHTDJMNU-UHFFFAOYSA-N 1 0 378.307 3.565 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)CCOCC1 ZINC000599412874 861181005 /nfs/dbraw/zinc/18/10/05/861181005.db2.gz PTTRQYZHZUAKQE-PXNSSMCTSA-N 1 0 378.463 3.620 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)CCOCC1 ZINC000599412873 861181088 /nfs/dbraw/zinc/18/10/88/861181088.db2.gz PTTRQYZHZUAKQE-FXAWDEMLSA-N 1 0 378.463 3.620 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168048768 863080555 /nfs/dbraw/zinc/08/05/55/863080555.db2.gz XJMHPDOMGILJLU-SWXWDQRWSA-N 1 0 395.591 3.929 20 30 GHEDRO CCCc1c(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cnn1-c1cccc(C#N)c1 ZINC000439672200 863184415 /nfs/dbraw/zinc/18/44/15/863184415.db2.gz JMGQBYHMJVJKDA-LJQANCHMSA-N 1 0 394.523 3.644 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159939853 863194612 /nfs/dbraw/zinc/19/46/12/863194612.db2.gz BAAATGADINLITH-IRXDYDNUSA-N 1 0 395.532 3.583 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281869712 863441995 /nfs/dbraw/zinc/44/19/95/863441995.db2.gz UOAWHWRYPMAESB-VSKRKVRLSA-N 1 0 385.552 3.521 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)F)cc1F ZINC000593962537 863518439 /nfs/dbraw/zinc/51/84/39/863518439.db2.gz YUVUIPNCDOPLQO-UHFFFAOYSA-N 1 0 375.394 3.839 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000444171748 863590980 /nfs/dbraw/zinc/59/09/80/863590980.db2.gz WFEDSEGTMVFILT-INIZCTEOSA-N 1 0 388.581 3.633 20 30 GHEDRO CC1(C)CCC(C[NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)NC2CCCCC2)CC1 ZINC000262414562 863768211 /nfs/dbraw/zinc/76/82/11/863768211.db2.gz PYRSKHHZIOENQV-SFHVURJKSA-N 1 0 397.629 3.505 20 30 GHEDRO COc1ccc(CN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)C2CC2)cc1 ZINC000594032560 863819049 /nfs/dbraw/zinc/81/90/49/863819049.db2.gz JAWBRDGSWCWILI-UHFFFAOYSA-N 1 0 389.499 3.727 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCC2)cc1 ZINC000594032542 863819168 /nfs/dbraw/zinc/81/91/68/863819168.db2.gz WVWJFEPGRDLUET-UHFFFAOYSA-N 1 0 384.823 3.727 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000594034837 863840951 /nfs/dbraw/zinc/84/09/51/863840951.db2.gz KECOSVHGZVXIDE-UHFFFAOYSA-N 1 0 375.350 3.674 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000158978134 864002540 /nfs/dbraw/zinc/00/25/40/864002540.db2.gz UKOJBWMTXUZEQI-PXNSSMCTSA-N 1 0 397.544 3.976 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000554266749 864015239 /nfs/dbraw/zinc/01/52/39/864015239.db2.gz ZLCUQOAJDDIDLY-BEFAXECRSA-N 1 0 394.357 3.547 20 30 GHEDRO N#Cc1c(C#N)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2c1CCCCCC2 ZINC000480083351 864028770 /nfs/dbraw/zinc/02/87/70/864028770.db2.gz HNGKDPPCSCYWGU-UZUQRXQVSA-N 1 0 389.547 3.937 20 30 GHEDRO N#Cc1c(C#N)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2c1CCCCCC2 ZINC000480083348 864028810 /nfs/dbraw/zinc/02/88/10/864028810.db2.gz HNGKDPPCSCYWGU-GAJHUEQPSA-N 1 0 389.547 3.937 20 30 GHEDRO C[NH+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CC[C@H](COC)C1 ZINC000262423977 864069801 /nfs/dbraw/zinc/06/98/01/864069801.db2.gz CAGOSEFHALPSMS-AWEZNQCLSA-N 1 0 384.505 3.600 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[NH+]1CCCCC1 ZINC000734428659 864215695 /nfs/dbraw/zinc/21/56/95/864215695.db2.gz NPMGMIAISJSEPR-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO Oc1ccccc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897053550 864368160 /nfs/dbraw/zinc/36/81/60/864368160.db2.gz BWPNAWOYNYNWJK-NXEZZACHSA-N 1 0 375.259 3.995 20 30 GHEDRO CCOCCC[N@@H+]1CCC(N=Nc2ncnc3sc4c(c32)CCC4)[C@H](C)C1 ZINC000735227628 864671531 /nfs/dbraw/zinc/67/15/31/864671531.db2.gz FAZIOULHOJNSJB-CQSZACIVSA-N 1 0 387.553 3.716 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000184553982 864686460 /nfs/dbraw/zinc/68/64/60/864686460.db2.gz XBYAYUYZSZFEHN-INIZCTEOSA-N 1 0 387.505 3.788 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000735251826 864699557 /nfs/dbraw/zinc/69/95/57/864699557.db2.gz RNUYCTLCBWQUOX-UHFFFAOYSA-N 1 0 379.416 3.671 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000475290982 864723871 /nfs/dbraw/zinc/72/38/71/864723871.db2.gz KSHXDGWBQGNCID-IBGZPJMESA-N 1 0 385.552 3.810 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000735491444 864828419 /nfs/dbraw/zinc/82/84/19/864828419.db2.gz HNMYPSHTWVDECD-MHORFTMASA-N 1 0 396.560 3.810 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000184724618 864878178 /nfs/dbraw/zinc/87/81/78/864878178.db2.gz XAOYLYLLJIPKEB-UHFFFAOYSA-N 1 0 382.464 3.775 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)ccn1 ZINC000594110024 865020510 /nfs/dbraw/zinc/02/05/10/865020510.db2.gz BODIBJGNTSOBSI-LEWJYISDSA-N 1 0 391.475 3.884 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)ccn1 ZINC000594110026 865020618 /nfs/dbraw/zinc/02/06/18/865020618.db2.gz BODIBJGNTSOBSI-RTWAWAEBSA-N 1 0 391.475 3.884 20 30 GHEDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000554849184 865037813 /nfs/dbraw/zinc/03/78/13/865037813.db2.gz WRCIKQLHZBGBOO-KBPBESRZSA-N 1 0 386.293 3.849 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(OC)c1 ZINC000608166427 865042308 /nfs/dbraw/zinc/04/23/08/865042308.db2.gz GWFIEAVIQWPBLK-NRFANRHFSA-N 1 0 394.515 3.535 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184982194 865101788 /nfs/dbraw/zinc/10/17/88/865101788.db2.gz PZOIGFXNNITZDS-HXUWFJFHSA-N 1 0 396.537 3.967 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899048499 865181226 /nfs/dbraw/zinc/18/12/26/865181226.db2.gz KVXGUTXLXXPFGA-MRXNPFEDSA-N 1 0 379.892 3.621 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CCCC(=O)N2)C(C)C ZINC000171527625 865277714 /nfs/dbraw/zinc/27/77/14/865277714.db2.gz QBQRDJJVFWVVTI-HXUWFJFHSA-N 1 0 384.524 3.782 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2ccccc2Br)CC1 ZINC000171740502 865350837 /nfs/dbraw/zinc/35/08/37/865350837.db2.gz YARNLCWIEFXLHA-AWEZNQCLSA-N 1 0 380.330 3.802 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594226610 865472620 /nfs/dbraw/zinc/47/26/20/865472620.db2.gz KXJHFVQJPPZSLX-UHFFFAOYSA-N 1 0 376.504 3.889 20 30 GHEDRO CCc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000174128547 865475889 /nfs/dbraw/zinc/47/58/89/865475889.db2.gz IUEZEVNIDGQQOC-UHFFFAOYSA-N 1 0 380.492 3.515 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ccc(F)cc2F)c(-c2ccccc2)n1 ZINC000172120156 865495022 /nfs/dbraw/zinc/49/50/22/865495022.db2.gz GTHRQFAWOCSCDZ-UHFFFAOYSA-N 1 0 382.414 3.911 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)N2Cc3ccc(C#N)cc3C2)C[N@@H+]1Cc1ccccc1 ZINC000594234754 865501862 /nfs/dbraw/zinc/50/18/62/865501862.db2.gz XHFGJUXMDRAXLJ-NQIIRXRSSA-N 1 0 388.515 3.884 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCCCC[C@@H]2C)c1=S ZINC000738227441 865506335 /nfs/dbraw/zinc/50/63/35/865506335.db2.gz UCFMAHPFXJVXSP-SFHVURJKSA-N 1 0 377.602 3.850 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594241576 865529434 /nfs/dbraw/zinc/52/94/34/865529434.db2.gz DDMFGSURQVQIJO-QFIPXVFZSA-N 1 0 388.515 3.884 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000594243094 865535686 /nfs/dbraw/zinc/53/56/86/865535686.db2.gz YSSMUJPPYUBVAR-QGZVFWFLSA-N 1 0 379.479 3.657 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000172434401 865582262 /nfs/dbraw/zinc/58/22/62/865582262.db2.gz KQYVKPMBPOIXMT-UHFFFAOYSA-N 1 0 392.341 3.557 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000301901187 865597287 /nfs/dbraw/zinc/59/72/87/865597287.db2.gz ZWAVHSRYZIFLOA-QZTJIDSGSA-N 1 0 395.551 3.696 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475453485 865656440 /nfs/dbraw/zinc/65/64/40/865656440.db2.gz YAGXRWRDPBAAEF-FQEVSTJZSA-N 1 0 389.499 3.552 20 30 GHEDRO C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000555220038 865711743 /nfs/dbraw/zinc/71/17/43/865711743.db2.gz JOBFGOCKFAKLFN-UHFFFAOYSA-N 1 0 385.581 3.985 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000608813269 865719769 /nfs/dbraw/zinc/71/97/69/865719769.db2.gz INDARRNWNNGLLY-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000594304624 865739110 /nfs/dbraw/zinc/73/91/10/865739110.db2.gz UMOIVSFIKQAVJM-WOJBJXKFSA-N 1 0 375.516 3.860 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000555269138 865803896 /nfs/dbraw/zinc/80/38/96/865803896.db2.gz UQDASPZOLGDSBR-IEBWSBKVSA-N 1 0 381.524 3.876 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740050929 865837714 /nfs/dbraw/zinc/83/77/14/865837714.db2.gz GMZZYUIMPMNUKO-SFHVURJKSA-N 1 0 382.533 3.960 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000609046912 865920590 /nfs/dbraw/zinc/92/05/90/865920590.db2.gz LIHQIZBXMPUVRH-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000302819083 865939002 /nfs/dbraw/zinc/93/90/02/865939002.db2.gz JDUDDLFYDDBSPY-UHFFFAOYSA-N 1 0 396.358 3.603 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C(=C/c2ccccc2OC)c2ccccc2)CC1 ZINC000740736878 865976366 /nfs/dbraw/zinc/97/63/66/865976366.db2.gz QHKYSYCKVSFRJR-FCDQGJHFSA-N 1 0 388.511 3.840 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456000220 866007813 /nfs/dbraw/zinc/00/78/13/866007813.db2.gz QUQNVKILNPVVSK-SFHVURJKSA-N 1 0 390.531 3.864 20 30 GHEDRO CCNC(=O)N(C)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000475509302 866121030 /nfs/dbraw/zinc/12/10/30/866121030.db2.gz GKZJWIRHHMSJCJ-UHFFFAOYSA-N 1 0 391.519 3.800 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)sc2c1CCC2 ZINC000151922195 866269375 /nfs/dbraw/zinc/26/93/75/866269375.db2.gz LYYLSPZEBFHOOQ-RHSMWYFYSA-N 1 0 399.516 3.618 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2cccs2)N(C)C)c1 ZINC000303792169 866338064 /nfs/dbraw/zinc/33/80/64/866338064.db2.gz YETFOFOSQACZHA-INIZCTEOSA-N 1 0 376.526 3.575 20 30 GHEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000106245356 866394950 /nfs/dbraw/zinc/39/49/50/866394950.db2.gz ZHDFFHYXLPDGFS-UHFFFAOYSA-N 1 0 395.341 3.741 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](CCC#N)c3ccccc3)CC2)c1 ZINC000153402647 866434872 /nfs/dbraw/zinc/43/48/72/866434872.db2.gz HBVNUOHOCYYMQZ-HSZRJFAPSA-N 1 0 390.531 3.668 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CCCCCC1 ZINC000305742457 866635985 /nfs/dbraw/zinc/63/59/85/866635985.db2.gz HVJRJAOXNVXSJE-UHFFFAOYSA-N 1 0 398.473 3.669 20 30 GHEDRO C=C(C)[C@H](CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)OCC ZINC000534395751 866682982 /nfs/dbraw/zinc/68/29/82/866682982.db2.gz WEUYPDVIYQOMNO-FQEVSTJZSA-N 1 0 394.943 3.671 20 30 GHEDRO N#CC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000114424987 866765579 /nfs/dbraw/zinc/76/55/79/866765579.db2.gz GRQWJWCAXWGHCH-KRWDZBQOSA-N 1 0 379.426 3.870 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1cccc(-n2cccn2)c1 ZINC000183572393 866855474 /nfs/dbraw/zinc/85/54/74/866855474.db2.gz OEIDULDWTMMBAP-FSTYKVKCSA-N 1 0 393.535 3.842 20 30 GHEDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCSCc1ccccc1C#N ZINC000729584263 866982893 /nfs/dbraw/zinc/98/28/93/866982893.db2.gz LWHZXUIODUPDGF-UHFFFAOYSA-N 1 0 396.560 3.695 20 30 GHEDRO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000534526295 866991102 /nfs/dbraw/zinc/99/11/02/866991102.db2.gz SNDULXBPILBKJV-UHFFFAOYSA-N 1 0 392.846 3.663 20 30 GHEDRO C=CCn1c([C@H](C)CC)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508505317 867060644 /nfs/dbraw/zinc/06/06/44/867060644.db2.gz BYBGWYVVOBTQFE-GUDVDZBRSA-N 1 0 389.588 3.693 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCOCC(F)(F)C(F)F ZINC000189933145 882044600 /nfs/dbraw/zinc/04/46/00/882044600.db2.gz ZDWBBVZGOISUMD-MRVPVSSYSA-N 1 0 379.320 3.630 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444719446 867137191 /nfs/dbraw/zinc/13/71/91/867137191.db2.gz MYFILDQXUUUUNZ-MOPGFXCFSA-N 1 0 379.504 3.924 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000594565247 867232693 /nfs/dbraw/zinc/23/26/93/867232693.db2.gz UZHRFJFSRLCYBF-MSOLQXFVSA-N 1 0 396.304 3.640 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3nc(-c4cccc(C#N)c4)c[nH]3)c2)C1 ZINC000857156016 882063268 /nfs/dbraw/zinc/06/32/68/882063268.db2.gz HKPWAZVJKBTWQO-NRFANRHFSA-N 1 0 399.498 3.688 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(CC)[C@H](C)C(C)C)c1=S ZINC000742549970 867366243 /nfs/dbraw/zinc/36/62/43/867366243.db2.gz ITSULXBYTWKXLQ-GOSISDBHSA-N 1 0 379.618 3.952 20 30 GHEDRO CC(C)OCc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479217154 867370738 /nfs/dbraw/zinc/37/07/38/867370738.db2.gz NZZCIDFRBJRESU-UHFFFAOYSA-N 1 0 391.515 3.900 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1-n1nc(C)nc1C)C(C)C ZINC000534752369 867372291 /nfs/dbraw/zinc/37/22/91/867372291.db2.gz XDTDTMKZYLIXQV-NRFANRHFSA-N 1 0 396.539 3.704 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000553460413 867462784 /nfs/dbraw/zinc/46/27/84/867462784.db2.gz REXMDODZNOACMX-SFHVURJKSA-N 1 0 383.467 3.862 20 30 GHEDRO Cc1cc(C)cc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479306933 867514405 /nfs/dbraw/zinc/51/44/05/867514405.db2.gz DDIYCKPPWOHPHO-UHFFFAOYSA-N 1 0 375.516 3.911 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000553500420 867583077 /nfs/dbraw/zinc/58/30/77/867583077.db2.gz SYURYJBWICVGDG-HXUWFJFHSA-N 1 0 392.503 3.639 20 30 GHEDRO CN(C(=O)c1cccc(SCC#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081053 867626832 /nfs/dbraw/zinc/62/68/32/867626832.db2.gz GUPOLXNCKYFWQS-UHFFFAOYSA-N 1 0 385.455 3.791 20 30 GHEDRO C=CCOc1ccc(CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457072633 867657247 /nfs/dbraw/zinc/65/72/47/867657247.db2.gz RYKMPVAEVBJZRD-UHFFFAOYSA-N 1 0 384.442 3.669 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccccc1Br)C(C)C ZINC000523655396 867725316 /nfs/dbraw/zinc/72/53/16/867725316.db2.gz RBQCRDVZGWVPCQ-SFHVURJKSA-N 1 0 379.342 3.806 20 30 GHEDRO C=CCOc1ccccc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000508622032 882150017 /nfs/dbraw/zinc/15/00/17/882150017.db2.gz VSAZFKFUXDPTCE-UHFFFAOYSA-N 1 0 390.443 3.693 20 30 GHEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000156364654 868340947 /nfs/dbraw/zinc/34/09/47/868340947.db2.gz SYKWQCODGYHSJG-LMMKCTJWSA-N 1 0 396.453 3.510 20 30 GHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479690181 868343022 /nfs/dbraw/zinc/34/30/22/868343022.db2.gz SGWCOMDLWOSBQK-LJQANCHMSA-N 1 0 395.528 3.550 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)c1 ZINC000523992733 868383422 /nfs/dbraw/zinc/38/34/22/868383422.db2.gz PUEJAKPWCDLASM-UHFFFAOYSA-N 1 0 381.907 3.783 20 30 GHEDRO C[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000111535068 868393757 /nfs/dbraw/zinc/39/37/57/868393757.db2.gz HXVZYXYBBICCOQ-MBSDFSHPSA-N 1 0 388.515 3.709 20 30 GHEDRO Cc1ccc2c(c1)nc(CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)n2C ZINC000183892360 868577445 /nfs/dbraw/zinc/57/74/45/868577445.db2.gz PIGDYQDSZOVLJT-UHFFFAOYSA-N 1 0 377.370 3.707 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000669811282 868655355 /nfs/dbraw/zinc/65/53/55/868655355.db2.gz XQFBQISOEDZHJX-GOSISDBHSA-N 1 0 390.535 3.925 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554075368 868709463 /nfs/dbraw/zinc/70/94/63/868709463.db2.gz ZQWQPPXUGSUXCY-QGZVFWFLSA-N 1 0 396.922 3.747 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000479938070 868753318 /nfs/dbraw/zinc/75/33/18/868753318.db2.gz FZVWRKPNMRBDEE-MRXNPFEDSA-N 1 0 381.451 3.903 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669817621 868915099 /nfs/dbraw/zinc/91/50/99/868915099.db2.gz DMAIGWOJOLHIMN-HXUWFJFHSA-N 1 0 388.519 3.545 20 30 GHEDRO C[C@@](O)(C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000535541340 868941280 /nfs/dbraw/zinc/94/12/80/868941280.db2.gz CQIAHFKGDPSWNR-WDEREUQCSA-N 1 0 399.253 3.962 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)C(C)C ZINC000133506743 882254419 /nfs/dbraw/zinc/25/44/19/882254419.db2.gz MBPRCAWHLUKGAQ-BDTNDASRSA-N 1 0 385.552 3.905 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cc1 ZINC000535576765 869031787 /nfs/dbraw/zinc/03/17/87/869031787.db2.gz RTLFLPCENXJQLW-OAQYLSRUSA-N 1 0 382.529 3.819 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+]C2(CCO)CCCCC2)sc2c1CCCC2 ZINC000440896800 869167316 /nfs/dbraw/zinc/16/73/16/869167316.db2.gz RWCQNUJEZPMXSL-UHFFFAOYSA-N 1 0 375.538 3.502 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000446000736 869273297 /nfs/dbraw/zinc/27/32/97/869273297.db2.gz GNAYACIJQMREGQ-ZWKOTPCHSA-N 1 0 392.425 3.587 20 30 GHEDRO COc1cc(Br)c(C[NH2+]CCc2ccc(C#N)cc2)c(OC)c1 ZINC000594954554 869574915 /nfs/dbraw/zinc/57/49/15/869574915.db2.gz HUIMZDVLVWOUIU-UHFFFAOYSA-N 1 0 375.266 3.670 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000524894567 869713883 /nfs/dbraw/zinc/71/38/83/869713883.db2.gz NVDZCXBZIMYCQP-OAQYLSRUSA-N 1 0 390.531 3.530 20 30 GHEDRO N#CC1(NC(=O)c2cc(Cl)cc3c2OCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000462603949 869751880 /nfs/dbraw/zinc/75/18/80/869751880.db2.gz JKKZRQYUWDATOA-UHFFFAOYSA-N 1 0 395.890 3.563 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000524934117 869776995 /nfs/dbraw/zinc/77/69/95/869776995.db2.gz KXCKUPPVUJBAFC-MOPGFXCFSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1OCC ZINC000462767270 870033956 /nfs/dbraw/zinc/03/39/56/870033956.db2.gz KORCGMANUOAVJH-UKRRQHHQSA-N 1 0 384.314 3.927 20 30 GHEDRO CC[N@H+](CCc1cccs1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000746167186 870100240 /nfs/dbraw/zinc/10/02/40/870100240.db2.gz BFMITUPSWRWIAH-QGZVFWFLSA-N 1 0 376.485 3.850 20 30 GHEDRO COC1CC[NH+](C2(CNc3c(C#N)cnc4c(C)cc(C)cc43)CCCC2)CC1 ZINC000462844138 870217317 /nfs/dbraw/zinc/21/73/17/870217317.db2.gz WGOVJYIJNWJLRW-UHFFFAOYSA-N 1 0 392.547 3.981 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121678531 870320575 /nfs/dbraw/zinc/32/05/75/870320575.db2.gz PIMARXKLJDLEKD-INIZCTEOSA-N 1 0 382.426 3.971 20 30 GHEDRO CC[NH+](CC)[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccsc1 ZINC000462921174 870357221 /nfs/dbraw/zinc/35/72/21/870357221.db2.gz ZQWAATMXTYNGDP-IBGZPJMESA-N 1 0 395.488 3.993 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1Cl ZINC000181223144 870406331 /nfs/dbraw/zinc/40/63/31/870406331.db2.gz WEVKDBJKCFBUSD-YWZLYKJASA-N 1 0 383.879 3.908 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](C#N)C3)C2=O)ccc1Br ZINC000193293016 870528431 /nfs/dbraw/zinc/52/84/31/870528431.db2.gz NDLWKGXIHYGHNC-VBQJREDUSA-N 1 0 376.298 3.535 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000540159871 870621188 /nfs/dbraw/zinc/62/11/88/870621188.db2.gz HFYOPNIOUCISBT-UHFFFAOYSA-N 1 0 386.492 3.593 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000552024634 870621503 /nfs/dbraw/zinc/62/15/03/870621503.db2.gz SFUOLPUXQMVNIB-VXGBXAGGSA-N 1 0 379.489 3.663 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)s1 ZINC000746421154 870646078 /nfs/dbraw/zinc/64/60/78/870646078.db2.gz JDSKOFHUAZKTSY-GOSISDBHSA-N 1 0 394.544 3.914 20 30 GHEDRO Cc1ncn(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1CSCC[NH3+] ZINC001168790384 870743562 /nfs/dbraw/zinc/74/35/62/870743562.db2.gz IYOSHKPSPCIBGD-UHFFFAOYSA-N 1 0 387.324 3.948 20 30 GHEDRO C=CCC[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000617703386 870787111 /nfs/dbraw/zinc/78/71/11/870787111.db2.gz HOAXXZVZSIYEJY-GOTSBHOMSA-N 1 0 378.516 3.619 20 30 GHEDRO Cc1cccc([C@@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000525493309 870821607 /nfs/dbraw/zinc/82/16/07/870821607.db2.gz WVGZISMGRRHPHM-FQEVSTJZSA-N 1 0 390.531 3.888 20 30 GHEDRO CC(C)[C@@H](CNC(=O)Nc1cccc(CC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000455918591 870842336 /nfs/dbraw/zinc/84/23/36/870842336.db2.gz LJAFULYCJATWOS-JOCHJYFZSA-N 1 0 376.504 3.957 20 30 GHEDRO Cc1ccc(CC[N@@H+](Cc2ccco2)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000461753320 870873018 /nfs/dbraw/zinc/87/30/18/870873018.db2.gz WXSQVWLBHDJCES-QFIPXVFZSA-N 1 0 390.483 3.944 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000447023394 870874056 /nfs/dbraw/zinc/87/40/56/870874056.db2.gz MHKHFIHWERWDLZ-GFCCVEGCSA-N 1 0 382.407 3.831 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168831614 870886950 /nfs/dbraw/zinc/88/69/50/870886950.db2.gz WNWJNXONXDWXKE-UTKZUKDTSA-N 1 0 398.551 3.510 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](C)C1 ZINC000525545672 870898027 /nfs/dbraw/zinc/89/80/27/870898027.db2.gz OHNCAUPCHSAAES-UZLBHIALSA-N 1 0 378.476 3.548 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168871809 870913023 /nfs/dbraw/zinc/91/30/23/870913023.db2.gz KMRAELCAXDYRKJ-SJLPKXTDSA-N 1 0 385.508 3.799 20 30 GHEDRO C[C@@H](CCc1ccccc1F)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000463121443 870960131 /nfs/dbraw/zinc/96/01/31/870960131.db2.gz CXEOZDDULOIYKD-SFHVURJKSA-N 1 0 381.495 3.856 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181408356 870980563 /nfs/dbraw/zinc/98/05/63/870980563.db2.gz GJLHROBTECGRSU-KRWDZBQOSA-N 1 0 377.488 3.645 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000540323357 871015975 /nfs/dbraw/zinc/01/59/75/871015975.db2.gz GSZWIUZPVGEZKN-GFCCVEGCSA-N 1 0 395.253 3.892 20 30 GHEDRO N#Cc1nc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)ccc1Br ZINC001169000380 871087840 /nfs/dbraw/zinc/08/78/40/871087840.db2.gz VPICLHSOFMOKCE-UHFFFAOYSA-N 1 0 390.672 3.599 20 30 GHEDRO CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001169093410 871167418 /nfs/dbraw/zinc/16/74/18/871167418.db2.gz ZRRXGZCQYGHVCZ-IBGZPJMESA-N 1 0 396.560 3.772 20 30 GHEDRO CC1(C)C[C@@H](Nc2nc3cc(C#N)c(C#N)cc3nc2Cl)C[C@](C)(C[NH3+])C1 ZINC001169147115 871258305 /nfs/dbraw/zinc/25/83/05/871258305.db2.gz SLOUPKKAXHIKHW-VLIAUNLRSA-N 1 0 382.899 3.982 20 30 GHEDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000443343723 871334206 /nfs/dbraw/zinc/33/42/06/871334206.db2.gz HFIGEMRRAFYDOE-IIDMSEBBSA-N 1 0 389.565 3.699 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@H]3CCC[C@H](C#N)C3)c2)cc1 ZINC000463293602 871350458 /nfs/dbraw/zinc/35/04/58/871350458.db2.gz LCBGENAHUNNQJD-HKUYNNGSSA-N 1 0 393.487 3.998 20 30 GHEDRO CC[NH+]1CCC(N2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001169259058 871353958 /nfs/dbraw/zinc/35/39/58/871353958.db2.gz ZZWKEOKKQKDVTG-UHFFFAOYSA-N 1 0 376.342 3.791 20 30 GHEDRO C=CCOCc1nn(C2CCC(OC(=O)c3ccccc3)CC2)c2c1C[NH2+]C2 ZINC001169297413 871392237 /nfs/dbraw/zinc/39/22/37/871392237.db2.gz MRZCIJALAVAFDG-UHFFFAOYSA-N 1 0 381.476 3.530 20 30 GHEDRO COCC[N@H+](CCOc1ccccc1Br)Cc1ccc(C#N)cc1 ZINC000508873208 871396088 /nfs/dbraw/zinc/39/60/88/871396088.db2.gz JEPLVOLDZCDGOJ-UHFFFAOYSA-N 1 0 389.293 3.848 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000121728032 871469182 /nfs/dbraw/zinc/46/91/82/871469182.db2.gz WRRLCRSHHSBVFK-RTBURBONSA-N 1 0 390.531 3.856 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)[C@@H](C)[C@@H]1OC ZINC001194090697 871498424 /nfs/dbraw/zinc/49/84/24/871498424.db2.gz KEAPCDZBGJKJTB-QIJUGHKUSA-N 1 0 385.552 3.979 20 30 GHEDRO CN(C)c1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000181842797 871536652 /nfs/dbraw/zinc/53/66/52/871536652.db2.gz FULARDJNEZBUKL-UHFFFAOYSA-N 1 0 399.542 3.927 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000539297901 871663560 /nfs/dbraw/zinc/66/35/60/871663560.db2.gz POGWVCWYNZFJAM-MSOLQXFVSA-N 1 0 394.581 3.523 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)n2)c1 ZINC000540604355 871684224 /nfs/dbraw/zinc/68/42/24/871684224.db2.gz IPGFZASPKWTBCQ-UHFFFAOYSA-N 1 0 391.519 3.663 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000539332195 871711691 /nfs/dbraw/zinc/71/16/91/871711691.db2.gz PCKDDIJZNKQOGH-RVKKMQEKSA-N 1 0 384.442 3.938 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3ccccc3CC#N)cc2)C1 ZINC000776969289 882543494 /nfs/dbraw/zinc/54/34/94/882543494.db2.gz BDDRFMVIMITVFA-LJQANCHMSA-N 1 0 375.516 3.843 20 30 GHEDRO Cc1ccn(-c2ccccc2C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000182026782 871756282 /nfs/dbraw/zinc/75/62/82/871756282.db2.gz QEQKTAFGOTWDRY-UHFFFAOYSA-N 1 0 385.515 3.807 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001194791015 871936164 /nfs/dbraw/zinc/93/61/64/871936164.db2.gz BZQHSWOBFSEARZ-YLJYHZDGSA-N 1 0 387.524 3.510 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC000237497293 871941881 /nfs/dbraw/zinc/94/18/81/871941881.db2.gz LIFXGZNVGOQAEU-KRWDZBQOSA-N 1 0 386.455 3.915 20 30 GHEDRO Cc1ccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)c(OCC[NH+](C)C)c1 ZINC000618757738 871954419 /nfs/dbraw/zinc/95/44/19/871954419.db2.gz BIVXNTFMEMTWGN-IBGZPJMESA-N 1 0 378.476 3.616 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000552059221 871955209 /nfs/dbraw/zinc/95/52/09/871955209.db2.gz SHQCWGXUURQEIB-JCXROGDPSA-N 1 0 377.488 3.826 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000618808863 872017128 /nfs/dbraw/zinc/01/71/28/872017128.db2.gz YTKFZEJPNKFYSY-NFBKMPQASA-N 1 0 388.515 3.757 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000618809015 872017990 /nfs/dbraw/zinc/01/79/90/872017990.db2.gz QADNODCDAXNTCM-QHCPKHFHSA-N 1 0 388.515 3.757 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)cc1 ZINC000857826752 882571861 /nfs/dbraw/zinc/57/18/61/882571861.db2.gz ACYOKRIKBYYYBS-UHFFFAOYSA-N 1 0 380.488 3.693 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618841916 872053820 /nfs/dbraw/zinc/05/38/20/872053820.db2.gz DARRSHDNCOKYEO-QFIPXVFZSA-N 1 0 376.504 3.839 20 30 GHEDRO Cn1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(-c2cccs2)n1 ZINC000526083009 872069982 /nfs/dbraw/zinc/06/99/82/872069982.db2.gz ZTIQWXDQLYDSAC-UHFFFAOYSA-N 1 0 393.516 3.895 20 30 GHEDRO CCOc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2cccc(C)c2)cc1 ZINC000101535087 872071951 /nfs/dbraw/zinc/07/19/51/872071951.db2.gz DDYBTBVWOOOSOG-UHFFFAOYSA-O 1 0 397.442 3.772 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618854225 872080937 /nfs/dbraw/zinc/08/09/37/872080937.db2.gz TXXDHQUNXCMBTK-JOCHJYFZSA-N 1 0 376.504 3.627 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618892291 872092027 /nfs/dbraw/zinc/09/20/27/872092027.db2.gz KVRRBYDRLNPDEC-JOCHJYFZSA-N 1 0 377.488 3.696 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)s2)cs1 ZINC000552123461 872097583 /nfs/dbraw/zinc/09/75/83/872097583.db2.gz ZGLBMKSPXFLZCY-HNNXBMFYSA-N 1 0 385.514 3.581 20 30 GHEDRO COc1ccc(C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000526135942 872165361 /nfs/dbraw/zinc/16/53/61/872165361.db2.gz XJCXINPOQDHGFF-MJGOQNOKSA-N 1 0 399.535 3.647 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c(-c2ccncc2)n1 ZINC000619073817 872281277 /nfs/dbraw/zinc/28/12/77/872281277.db2.gz XTXPPIBXGXIQOP-NRFANRHFSA-N 1 0 397.486 3.655 20 30 GHEDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000182410992 872319433 /nfs/dbraw/zinc/31/94/33/872319433.db2.gz MWLLMMIDGFNJSL-KRWDZBQOSA-N 1 0 381.476 3.615 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2cccc(OC)c2)[n+]2cccc(C)c2)cn1 ZINC000101900337 872353913 /nfs/dbraw/zinc/35/39/13/872353913.db2.gz GXKZPXYWMUWNSX-UHFFFAOYSA-O 1 0 395.508 3.558 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463695736 872356233 /nfs/dbraw/zinc/35/62/33/872356233.db2.gz GVFBCEVRGSJALV-QUCCMNQESA-N 1 0 394.515 3.900 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000767320003 872421105 /nfs/dbraw/zinc/42/11/05/872421105.db2.gz FTEOWEIEBCHLHQ-MRXNPFEDSA-N 1 0 381.442 3.855 20 30 GHEDRO C=CCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H](C)COC ZINC000667288569 872443740 /nfs/dbraw/zinc/44/37/40/872443740.db2.gz OQSPCRVDTHNCTO-QGZVFWFLSA-N 1 0 377.554 3.929 20 30 GHEDRO C[NH+](C)CC1(C(=O)N[C@H](C#N)c2ccc(Br)cc2)CCCCC1 ZINC000494612336 882616627 /nfs/dbraw/zinc/61/66/27/882616627.db2.gz GVTOEEBZLJPRDL-MRXNPFEDSA-N 1 0 378.314 3.642 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(C#N)c(F)c1 ZINC000527040227 872520786 /nfs/dbraw/zinc/52/07/86/872520786.db2.gz GTCCQDKIQDEZMM-RBZFPXEDSA-N 1 0 387.405 3.817 20 30 GHEDRO C[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(C#N)c1 ZINC000619364234 872577301 /nfs/dbraw/zinc/57/73/01/872577301.db2.gz IXWLGXCGCYXBIL-NLNFPOJYSA-N 1 0 394.441 3.724 20 30 GHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC)cc1Cl ZINC000552387779 872586411 /nfs/dbraw/zinc/58/64/11/872586411.db2.gz ZCQDKXLHOMEGLC-HXUWFJFHSA-N 1 0 392.931 3.680 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC([NH+]4CCCCC4)C3)cn2)cc1 ZINC000619434829 872647814 /nfs/dbraw/zinc/64/78/14/872647814.db2.gz OTOHAXQPAFSCAH-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000448047114 872772188 /nfs/dbraw/zinc/77/21/88/872772188.db2.gz CADRMGUEWYNICO-PZJWPPBQSA-N 1 0 380.488 3.608 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000619624714 872808733 /nfs/dbraw/zinc/80/87/33/872808733.db2.gz GMNVMLPZSXNWJO-UHFFFAOYSA-N 1 0 379.464 3.695 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=S)NCc3cccc(Cl)c3)CC2)cc1 ZINC001195991077 872824981 /nfs/dbraw/zinc/82/49/81/872824981.db2.gz OHSDMWCWUAWJNN-UHFFFAOYSA-N 1 0 398.963 3.840 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000767885706 872914756 /nfs/dbraw/zinc/91/47/56/872914756.db2.gz UILBYEXMXXPTBY-PKOBYXMFSA-N 1 0 390.405 3.806 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3cc(O)cc(-c4cccc(C#N)c4)c3)CC2)CC1 ZINC001196318162 873027908 /nfs/dbraw/zinc/02/79/08/873027908.db2.gz DWEXXJLACKEHJN-UHFFFAOYSA-N 1 0 389.499 3.879 20 30 GHEDRO Cc1cc(F)ccc1C[NH+]1CCC(NC(=S)Nc2ccccc2C#N)CC1 ZINC001196343313 873044418 /nfs/dbraw/zinc/04/44/18/873044418.db2.gz IDTIXEQBAPGHQI-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CCN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000448251407 873093726 /nfs/dbraw/zinc/09/37/26/873093726.db2.gz FGOHCBYKHCZECY-UHFFFAOYSA-N 1 0 388.433 3.797 20 30 GHEDRO C=CCC1(c2nc([C@@H]3CN(Cc4ccccc4C)CCO3)no2)CCOCC1 ZINC000867179405 873157821 /nfs/dbraw/zinc/15/78/21/873157821.db2.gz ALRMZBVMGIHYHJ-IBGZPJMESA-N 1 0 383.492 3.576 20 30 GHEDRO C=CC[C@H]([NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccncc1 ZINC000768222091 873175203 /nfs/dbraw/zinc/17/52/03/873175203.db2.gz DNIHUCQSDZIBNS-BVYCBKJFSA-N 1 0 395.503 3.715 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000768504684 873343659 /nfs/dbraw/zinc/34/36/59/873343659.db2.gz VTVPJIRIMLKVFJ-CVEARBPZSA-N 1 0 389.594 3.702 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c2)cc1 ZINC000609128880 873403024 /nfs/dbraw/zinc/40/30/24/873403024.db2.gz PLKHUHUBMQBXFE-UHFFFAOYSA-N 1 0 384.439 3.708 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@]12C[C@H]1CCCC2 ZINC001196879169 873424744 /nfs/dbraw/zinc/42/47/44/873424744.db2.gz UQGPSAACJGWCMI-CVAIRZPRSA-N 1 0 378.438 3.732 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000134087400 882725786 /nfs/dbraw/zinc/72/57/86/882725786.db2.gz IVASAARPEZDZMF-HHXXYDBFSA-N 1 0 379.426 3.740 20 30 GHEDRO COc1cccc([C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)OC)c1 ZINC000527740319 873543139 /nfs/dbraw/zinc/54/31/39/873543139.db2.gz WELAWHMPGSDOBJ-HSZRJFAPSA-N 1 0 379.504 3.509 20 30 GHEDRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000527771325 873583794 /nfs/dbraw/zinc/58/37/94/873583794.db2.gz JJCKGHHSAWISAS-SFHVURJKSA-N 1 0 389.421 3.950 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1(c3ccc(C#N)cc3)CCOCC1)O[C@H](C)C2 ZINC000527809717 873594176 /nfs/dbraw/zinc/59/41/76/873594176.db2.gz FJAVJJHSRLLQHU-MRXNPFEDSA-N 1 0 378.472 3.686 20 30 GHEDRO COc1cccc([C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[NH2+]2)c1 ZINC001197167585 873635013 /nfs/dbraw/zinc/63/50/13/873635013.db2.gz JEMYIAUPPLSLHT-FQEVSTJZSA-N 1 0 390.405 3.592 20 30 GHEDRO N#Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1Br ZINC000448607035 873662259 /nfs/dbraw/zinc/66/22/59/873662259.db2.gz QMTROQLMSANCPK-GOSISDBHSA-N 1 0 398.304 3.888 20 30 GHEDRO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(-c2ccccc2)n(C)n1 ZINC000527888112 873718844 /nfs/dbraw/zinc/71/88/44/873718844.db2.gz QWOQXTRRNOHXFT-LAUBAEHRSA-N 1 0 399.498 3.805 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000769202413 873885605 /nfs/dbraw/zinc/88/56/05/873885605.db2.gz RDYVHGXRLPQHTL-FQEVSTJZSA-N 1 0 381.451 3.624 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000134176358 882769657 /nfs/dbraw/zinc/76/96/57/882769657.db2.gz HAGBTYFYPJHKCF-WMZOPIPTSA-N 1 0 392.425 3.587 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000769312659 873959295 /nfs/dbraw/zinc/95/92/95/873959295.db2.gz ROPUXHJUZRUOIJ-UHFFFAOYSA-N 1 0 381.476 3.784 20 30 GHEDRO N#Cc1cccc(OCC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001197778674 874042214 /nfs/dbraw/zinc/04/22/14/874042214.db2.gz ZTYHBUVIIOXTNA-WOJBJXKFSA-N 1 0 389.421 3.590 20 30 GHEDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1C ZINC000595775303 874196435 /nfs/dbraw/zinc/19/64/35/874196435.db2.gz UWWJKLJFBJAWKR-JOCHJYFZSA-N 1 0 394.515 3.519 20 30 GHEDRO CC1([NH+]2CCOCC2)CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000528190489 874227164 /nfs/dbraw/zinc/22/71/64/874227164.db2.gz UGUGFNGXVLYDHE-UHFFFAOYSA-N 1 0 388.874 3.590 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001198140489 874229293 /nfs/dbraw/zinc/22/92/93/874229293.db2.gz ILAAMHYIOADSOI-SFHVURJKSA-N 1 0 399.535 3.857 20 30 GHEDRO N#Cc1ccc(NC(=O)CN2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1 ZINC001198203442 874272464 /nfs/dbraw/zinc/27/24/64/874272464.db2.gz ZINABTKERVGSOL-UHFFFAOYSA-N 1 0 388.515 3.584 20 30 GHEDRO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001198328948 874355295 /nfs/dbraw/zinc/35/52/95/874355295.db2.gz XJAGXPBXRYNSQI-MJGOQNOKSA-N 1 0 387.524 3.810 20 30 GHEDRO N#Cc1ccc(N2CCN(Cc3cnc(-c4c(F)cccc4F)s3)CC2)nc1 ZINC000449010105 874355477 /nfs/dbraw/zinc/35/54/77/874355477.db2.gz KFMHTGWVGCLRJF-UHFFFAOYSA-N 1 0 397.454 3.677 20 30 GHEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC001198414444 874399835 /nfs/dbraw/zinc/39/98/35/874399835.db2.gz RTYBMFCLLDSDEJ-GOSISDBHSA-N 1 0 380.492 3.987 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)nn1-c1cccc(C#N)c1 ZINC000541863982 874415789 /nfs/dbraw/zinc/41/57/89/874415789.db2.gz QIQGXCFKQXUUTJ-UHFFFAOYSA-N 1 0 399.498 3.943 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)nn1-c1cccc(C#N)c1 ZINC000541873533 874444355 /nfs/dbraw/zinc/44/43/55/874444355.db2.gz PAGJFBHMDGEZEF-LZJOCLMNSA-N 1 0 391.519 3.530 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000464778908 874474145 /nfs/dbraw/zinc/47/41/45/874474145.db2.gz TVXDNHAPQKXARH-SFHVURJKSA-N 1 0 390.959 3.559 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2CC=CC[C@H]2C)c1C#N ZINC001198604702 874513508 /nfs/dbraw/zinc/51/35/08/874513508.db2.gz QBRXTRUHDAIACM-JLTOFOAXSA-N 1 0 380.467 3.988 20 30 GHEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000541913187 874515632 /nfs/dbraw/zinc/51/56/32/874515632.db2.gz AERNFBYOVWXJJX-FOIQADDNSA-N 1 0 380.467 3.975 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000528406592 874529869 /nfs/dbraw/zinc/52/98/69/874529869.db2.gz OUXRLJYGXMZFEI-QZTJIDSGSA-N 1 0 397.544 3.513 20 30 GHEDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000541949784 874613290 /nfs/dbraw/zinc/61/32/90/874613290.db2.gz YAWNDFDVQHJRFS-OAQYLSRUSA-N 1 0 399.922 3.781 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000528506988 874677386 /nfs/dbraw/zinc/67/73/86/874677386.db2.gz NAFJFSYRBDQZHH-AVRDEDQJSA-N 1 0 386.442 3.860 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)nc1 ZINC001199252259 874874973 /nfs/dbraw/zinc/87/49/73/874874973.db2.gz FAMMDRBROORTNO-UXHICEINSA-N 1 0 391.475 3.884 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3cc4c(cc3Cl)OCCCO4)CC2)c1 ZINC000271741986 874907266 /nfs/dbraw/zinc/90/72/66/874907266.db2.gz COKTVUWBZOBORU-UHFFFAOYSA-N 1 0 397.862 3.590 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000770995077 874987576 /nfs/dbraw/zinc/98/75/76/874987576.db2.gz YJHYFOXRUIHMJM-OAHLLOKOSA-N 1 0 377.326 3.547 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c(-c2ccccc2)n1 ZINC000449531944 875013442 /nfs/dbraw/zinc/01/34/42/875013442.db2.gz CMPZLJSVWMZFES-FCHUYYIVSA-N 1 0 387.487 3.869 20 30 GHEDRO N#Cc1c(Cl)nsc1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000771167466 875088151 /nfs/dbraw/zinc/08/81/51/875088151.db2.gz FTOQFQWWEGIOTI-UHFFFAOYSA-N 1 0 380.876 3.763 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)cn1 ZINC000528851773 875154394 /nfs/dbraw/zinc/15/43/94/875154394.db2.gz YHLLOTNESHZFLV-HXPMCKFVSA-N 1 0 384.867 3.683 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c1C ZINC000192365078 882903628 /nfs/dbraw/zinc/90/36/28/882903628.db2.gz JAPVPXRPORWHOA-HXUWFJFHSA-N 1 0 377.488 3.923 20 30 GHEDRO COCC[N@H+](CCOc1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC001170025755 875200409 /nfs/dbraw/zinc/20/04/09/875200409.db2.gz IFGMDQCACMCYFS-UHFFFAOYSA-N 1 0 395.322 3.910 20 30 GHEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3cccc(Cl)c3C#N)CC2)CC1 ZINC000443723019 875201578 /nfs/dbraw/zinc/20/15/78/875201578.db2.gz WUIWPUXDJCUJQN-UHFFFAOYSA-N 1 0 395.956 3.533 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c(F)c1 ZINC000449686183 875262303 /nfs/dbraw/zinc/26/23/03/875262303.db2.gz VLXJYQJTGVQUPR-CQSZACIVSA-N 1 0 395.247 3.540 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000465222131 875316182 /nfs/dbraw/zinc/31/61/82/875316182.db2.gz IUPXNFYPSSVJID-OAHLLOKOSA-N 1 0 384.442 3.978 20 30 GHEDRO CCCCCCC[C@@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771769434 875475143 /nfs/dbraw/zinc/47/51/43/875475143.db2.gz QVZLIUOKNYEIJZ-CTNGQTDRSA-N 1 0 380.621 3.793 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001201298019 875617407 /nfs/dbraw/zinc/61/74/07/875617407.db2.gz JFHIZYVNTYRMGM-FQEVSTJZSA-N 1 0 395.478 3.966 20 30 GHEDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000776155151 875638460 /nfs/dbraw/zinc/63/84/60/875638460.db2.gz ZTMCQQXWTPWMCA-GCJKJVERSA-N 1 0 379.504 3.719 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCCCCOc2ccccc2C(F)(F)F)CC1 ZINC000772115005 875705255 /nfs/dbraw/zinc/70/52/55/875705255.db2.gz UGCRHYAQLNJRNT-UHFFFAOYSA-N 1 0 383.410 3.753 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 ZINC000858228596 882958959 /nfs/dbraw/zinc/95/89/59/882958959.db2.gz WJHKINGAIJBCNN-APWZRJJASA-N 1 0 385.508 3.999 20 30 GHEDRO COCc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1C#N ZINC000529211882 875835089 /nfs/dbraw/zinc/83/50/89/875835089.db2.gz PKKPVOJVOZSXOW-IIBYNOLFSA-N 1 0 378.476 3.662 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H](CC(N)=O)c3ccccc3)c2)c1 ZINC000549908812 875853468 /nfs/dbraw/zinc/85/34/68/875853468.db2.gz MSXGHYJKJZCGLX-HSZRJFAPSA-N 1 0 385.467 3.844 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(C)n3)CCO[C@H]2C1 ZINC001201813624 875872375 /nfs/dbraw/zinc/87/23/75/875872375.db2.gz HLIDIGVSNOPSLR-YADHBBJMSA-N 1 0 387.568 3.800 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@@H]2C1 ZINC001201814547 875872508 /nfs/dbraw/zinc/87/25/08/875872508.db2.gz PHTDLDJXQLRFKU-BHIFYINESA-N 1 0 387.568 3.785 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001201834457 875896090 /nfs/dbraw/zinc/89/60/90/875896090.db2.gz PNXRCBSILFEEDA-UHFFFAOYSA-N 1 0 383.558 3.801 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001201875089 875918981 /nfs/dbraw/zinc/91/89/81/875918981.db2.gz PAYMHXVXRMHSIK-GGAORHGYSA-N 1 0 394.600 4.000 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(C#N)cc1 ZINC000609152251 875926077 /nfs/dbraw/zinc/92/60/77/875926077.db2.gz QVJAAHDWQQGWNU-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCN(CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)C1CC1 ZINC000772381834 875932067 /nfs/dbraw/zinc/93/20/67/875932067.db2.gz MOZLKCZWSKGYGB-QGZVFWFLSA-N 1 0 377.488 3.767 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000271915353 876034537 /nfs/dbraw/zinc/03/45/37/876034537.db2.gz BXYFZAOJCWFWDO-ZACQAIPSSA-N 1 0 395.478 3.798 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001202295265 876113743 /nfs/dbraw/zinc/11/37/43/876113743.db2.gz VKMGVGGDICONJZ-FQEVSTJZSA-N 1 0 378.476 3.741 20 30 GHEDRO O=C(OCC#Cc1ccccc1Cl)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785709286 876215033 /nfs/dbraw/zinc/21/50/33/876215033.db2.gz NYHFCJJYYFERTA-UHFFFAOYSA-N 1 0 397.902 3.753 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(C#N)c1Br ZINC000450419542 876402683 /nfs/dbraw/zinc/40/26/83/876402683.db2.gz AHBZBSZJPKIIEI-CQSZACIVSA-N 1 0 386.293 3.571 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786173262 876543582 /nfs/dbraw/zinc/54/35/82/876543582.db2.gz YEFUSJAUMLVMTO-HNNXBMFYSA-N 1 0 375.538 3.814 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCC(=O)c3ccccc3)CC2)c1 ZINC000450530250 876576648 /nfs/dbraw/zinc/57/66/48/876576648.db2.gz CHRWIXIKYLOEEQ-UHFFFAOYSA-N 1 0 375.472 3.872 20 30 GHEDRO Cc1cc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccc1C#N ZINC000443904392 876652088 /nfs/dbraw/zinc/65/20/88/876652088.db2.gz UNWURRVQGJRATM-GOSISDBHSA-N 1 0 389.565 3.532 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c2)c1 ZINC000850349682 876841667 /nfs/dbraw/zinc/84/16/67/876841667.db2.gz JFNNYPWSMPLSBB-MHZLTWQESA-N 1 0 396.434 3.538 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+][C@H]1CCCc3cc(C#N)ccc31)O2 ZINC000850542626 877012499 /nfs/dbraw/zinc/01/24/99/877012499.db2.gz SFYQLTUNDAHUSU-QUCCMNQESA-N 1 0 397.519 3.694 20 30 GHEDRO CSc1ccccc1NC(=O)CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174579490 877103714 /nfs/dbraw/zinc/10/37/14/877103714.db2.gz SHBXNAUONYOUDG-HXUWFJFHSA-N 1 0 394.544 3.620 20 30 GHEDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000787028217 877104464 /nfs/dbraw/zinc/10/44/64/877104464.db2.gz CDNOIBDESHRHOC-ZTNFWEORSA-N 1 0 385.508 3.550 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1 ZINC000064643872 877191771 /nfs/dbraw/zinc/19/17/71/877191771.db2.gz FLYRICGOCFQKFE-AEFFLSMTSA-N 1 0 382.533 3.892 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000272065023 877199259 /nfs/dbraw/zinc/19/92/59/877199259.db2.gz SUQSVITUGMOXFQ-UHFFFAOYSA-N 1 0 390.487 3.829 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000551487379 877295121 /nfs/dbraw/zinc/29/51/21/877295121.db2.gz XLTVXUAKSFIEBR-GJZGRUSLSA-N 1 0 385.533 3.701 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(O)c(C#N)c1)[C@H](C)Cc1ccc(O)cc1 ZINC001183050528 912221703 /nfs/dbraw/zinc/22/17/03/912221703.db2.gz OUSOJSRJCAQEKJ-MRXNPFEDSA-N 1 0 381.476 3.641 20 30 GHEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000787307234 877334170 /nfs/dbraw/zinc/33/41/70/877334170.db2.gz NVIHYVMQYAHJRJ-VDZJLULYSA-N 1 0 380.517 3.878 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21 ZINC000451082648 877339363 /nfs/dbraw/zinc/33/93/63/877339363.db2.gz GVWRGGBIKOAOPR-GOSISDBHSA-N 1 0 375.881 3.561 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551594933 877484977 /nfs/dbraw/zinc/48/49/77/877484977.db2.gz FVLMTMCHUNYJOU-ZIAGYGMSSA-N 1 0 382.430 3.837 20 30 GHEDRO N#Cc1ncc(Br)cc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000787888668 877688920 /nfs/dbraw/zinc/68/89/20/877688920.db2.gz CKDPVJLNLICYNK-MRXNPFEDSA-N 1 0 375.270 3.948 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245463487 877930695 /nfs/dbraw/zinc/93/06/95/877930695.db2.gz XLGVZFOBQGZJIK-QZTJIDSGSA-N 1 0 388.581 3.826 20 30 GHEDRO C=C(C)Cn1c(COC)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000642724044 912300643 /nfs/dbraw/zinc/30/06/43/912300643.db2.gz FXFALSLJWRBQMY-QUCCMNQESA-N 1 0 383.540 3.662 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC(N=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000788409291 878066295 /nfs/dbraw/zinc/06/62/95/878066295.db2.gz RMTNAXJCUQHWMJ-LLVKDONJSA-N 1 0 389.334 3.794 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000852101563 878076790 /nfs/dbraw/zinc/07/67/90/878076790.db2.gz QQWHIDINBJAHMK-MHECFPHRSA-N 1 0 391.515 3.850 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCSc2nccs2)c(-c2ccncc2)n1 ZINC000788522759 878129131 /nfs/dbraw/zinc/12/91/31/878129131.db2.gz UYPMGQMLEQEXFB-UHFFFAOYSA-N 1 0 384.534 3.587 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852191596 878129684 /nfs/dbraw/zinc/12/96/84/878129684.db2.gz HTKACUFLWVWCTQ-VQIMIIECSA-N 1 0 385.508 3.720 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000852301593 878215285 /nfs/dbraw/zinc/21/52/85/878215285.db2.gz UUUWLMJULPGMGH-IBGZPJMESA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1F ZINC000852472993 878348876 /nfs/dbraw/zinc/34/88/76/878348876.db2.gz IEFSNOQLGRPHQJ-NVXWUHKLSA-N 1 0 397.416 3.853 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1F ZINC000852472995 878349636 /nfs/dbraw/zinc/34/96/36/878349636.db2.gz IEFSNOQLGRPHQJ-RDJZCZTQSA-N 1 0 397.416 3.853 20 30 GHEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473404 878352445 /nfs/dbraw/zinc/35/24/45/878352445.db2.gz MWPPTYBUPKWAIU-MAUKXSAKSA-N 1 0 397.416 3.853 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1F ZINC000852476203 878359727 /nfs/dbraw/zinc/35/97/27/878359727.db2.gz HTWORVFSCCKEFI-WMZOPIPTSA-N 1 0 397.416 3.853 20 30 GHEDRO CC(C)[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[C@H](O)C(F)(F)F ZINC000788831400 878365050 /nfs/dbraw/zinc/36/50/50/878365050.db2.gz JTYIMOPQVFDDPV-WMZOPIPTSA-N 1 0 380.414 3.501 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000180046709 878400986 /nfs/dbraw/zinc/40/09/86/878400986.db2.gz VVARCAMLAWUJAZ-QFIPXVFZSA-N 1 0 379.504 3.759 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000852594357 878447930 /nfs/dbraw/zinc/44/79/30/878447930.db2.gz MFQQXBBWLVPHOL-SIKLNZKXSA-N 1 0 383.536 3.911 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1C ZINC000852598083 878451698 /nfs/dbraw/zinc/45/16/98/878451698.db2.gz UFXUMOSKOHHSOI-IRLDBZIGSA-N 1 0 383.536 3.831 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1 ZINC000852600188 878455283 /nfs/dbraw/zinc/45/52/83/878455283.db2.gz DOBLSENYVIHKJG-MRXNPFEDSA-N 1 0 397.416 3.710 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451792107 878509046 /nfs/dbraw/zinc/50/90/46/878509046.db2.gz SIPVPZWKIBQTIF-HOTGVXAUSA-N 1 0 377.554 3.748 20 30 GHEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000177207774 878600239 /nfs/dbraw/zinc/60/02/39/878600239.db2.gz ONNWYSKAQNEIQM-QGZVFWFLSA-N 1 0 384.405 3.979 20 30 GHEDRO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852826154 878624623 /nfs/dbraw/zinc/62/46/23/878624623.db2.gz RCBNDQMBWGBVLU-UHFFFAOYSA-N 1 0 397.494 3.655 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000238054147 878648876 /nfs/dbraw/zinc/64/88/76/878648876.db2.gz IEWMZCKTGGUGTN-QFIPXVFZSA-N 1 0 377.488 3.822 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)CC1 ZINC000914139177 878649176 /nfs/dbraw/zinc/64/91/76/878649176.db2.gz OKIKKHGWWVJFPM-HNNXBMFYSA-N 1 0 382.533 3.576 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000451899736 878664727 /nfs/dbraw/zinc/66/47/27/878664727.db2.gz IVVYTBSQUGWJFB-UHFFFAOYSA-N 1 0 381.524 3.941 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460942754 878864442 /nfs/dbraw/zinc/86/44/42/878864442.db2.gz DHLWRZPYIJHNAC-QFBILLFUSA-N 1 0 398.511 3.596 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460942752 878864936 /nfs/dbraw/zinc/86/49/36/878864936.db2.gz DHLWRZPYIJHNAC-APWZRJJASA-N 1 0 398.511 3.596 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000795688435 912396306 /nfs/dbraw/zinc/39/63/06/912396306.db2.gz MLOMMAIDSSRRBU-QGZVFWFLSA-N 1 0 399.438 3.699 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000853235962 878917791 /nfs/dbraw/zinc/91/77/91/878917791.db2.gz OEXGXAJVWHRBAA-CQSZACIVSA-N 1 0 390.368 3.567 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)c2cccc(C#N)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000452128457 878979701 /nfs/dbraw/zinc/97/97/01/878979701.db2.gz ULFOQNMUPRUSSR-KDOFPFPSSA-N 1 0 398.304 3.714 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCC2)cc1 ZINC000111389137 879081481 /nfs/dbraw/zinc/08/14/81/879081481.db2.gz HOBPYNHNZGADDP-UHFFFAOYSA-N 1 0 386.540 3.964 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452176315 879082178 /nfs/dbraw/zinc/08/21/78/879082178.db2.gz VEWKGMQEBFNSHL-CQSZACIVSA-N 1 0 382.426 3.827 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000538267166 879114542 /nfs/dbraw/zinc/11/45/42/879114542.db2.gz CNRNXGBJFQMJGW-WRHNGFHOSA-N 1 0 397.544 3.638 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)cc1 ZINC000111410045 879126225 /nfs/dbraw/zinc/12/62/25/879126225.db2.gz YDCGRLDLYLIQMB-SFHVURJKSA-N 1 0 380.488 3.963 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000531102265 879133457 /nfs/dbraw/zinc/13/34/57/879133457.db2.gz BTTSNUGCYDNVJP-XMMPIXPASA-N 1 0 388.515 3.756 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000531146400 879234698 /nfs/dbraw/zinc/23/46/98/879234698.db2.gz GNBSIHOIAQGTDG-RTBURBONSA-N 1 0 375.516 3.895 20 30 GHEDRO C#CCn1ccc(C[N@H+](CCOC)C[C@H](C)c2cccc(Br)c2)n1 ZINC000789761279 879240650 /nfs/dbraw/zinc/24/06/50/879240650.db2.gz ZCQVKSRWGHIYQO-INIZCTEOSA-N 1 0 390.325 3.531 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)COc2ccc(C#N)cc2)C1 ZINC000789771028 879253138 /nfs/dbraw/zinc/25/31/38/879253138.db2.gz NXEKBIRINRKYKB-VGOFRKELSA-N 1 0 382.435 3.655 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)ccc1OC ZINC000180817800 879376222 /nfs/dbraw/zinc/37/62/22/879376222.db2.gz WEGJDRUTYBNPJF-QAPCUYQASA-N 1 0 393.491 3.887 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000246343383 879432739 /nfs/dbraw/zinc/43/27/39/879432739.db2.gz LPGKQPPEELHMRN-KABRZNFWSA-N 1 0 378.538 3.547 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000246796940 879806580 /nfs/dbraw/zinc/80/65/80/879806580.db2.gz MPVPSODBHRTFNW-IAGOWNOFSA-N 1 0 375.538 3.548 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1OC ZINC000139848904 879814772 /nfs/dbraw/zinc/81/47/72/879814772.db2.gz LXUKHIBUGHZGCG-UHFFFAOYSA-N 1 0 395.503 3.573 20 30 GHEDRO COc1cccc([C@H](CNc2c(C#N)cnc3ccc(Cl)cc32)[NH+](C)C)c1 ZINC000461441045 879821692 /nfs/dbraw/zinc/82/16/92/879821692.db2.gz AFGDZCMOSGYGAM-FQEVSTJZSA-N 1 0 380.879 3.905 20 30 GHEDRO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1C#N ZINC000746923297 879829273 /nfs/dbraw/zinc/82/92/73/879829273.db2.gz NBNPQEPWPZIQKG-SFHVURJKSA-N 1 0 391.515 3.526 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CCCN1C(=O)OC(C)(C)C ZINC000790683849 879954624 /nfs/dbraw/zinc/95/46/24/879954624.db2.gz RSRHBTOWERNVGI-AVRDEDQJSA-N 1 0 393.572 3.523 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(-c4ccccc4)[nH]3)C2)c(F)c1 ZINC000531490150 879957745 /nfs/dbraw/zinc/95/77/45/879957745.db2.gz FFKODGGGJJNEAP-GOSISDBHSA-N 1 0 375.451 3.846 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494220809 880016155 /nfs/dbraw/zinc/01/61/55/880016155.db2.gz SJSQXBHOSLAVQM-PKOBYXMFSA-N 1 0 375.806 3.551 20 30 GHEDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C#N)ccc1Br ZINC001275190019 912556136 /nfs/dbraw/zinc/55/61/36/912556136.db2.gz BKZKECFQVIVTSC-FSPWUOQZSA-N 1 0 390.325 3.685 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)ccc1OC ZINC000113348273 880521543 /nfs/dbraw/zinc/52/15/43/880521543.db2.gz MHIPYAAUALKOEN-OAQYLSRUSA-N 1 0 390.487 3.911 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000113357771 880521960 /nfs/dbraw/zinc/52/19/60/880521960.db2.gz BLNNCIPDPKNKPB-IRXDYDNUSA-N 1 0 397.494 3.928 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)C1 ZINC000776822404 880625697 /nfs/dbraw/zinc/62/56/97/880625697.db2.gz LLWRIDODYVYMCY-XJKSGUPXSA-N 1 0 394.313 3.667 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](OC(C)C)c2ccccc2OC)CC1 ZINC000185686115 880659107 /nfs/dbraw/zinc/65/91/07/880659107.db2.gz CEAKUZIPERRKIW-NRFANRHFSA-N 1 0 389.540 3.501 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN(Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206876 912614563 /nfs/dbraw/zinc/61/45/63/912614563.db2.gz HPVLACNFQMQDPY-QGZVFWFLSA-N 1 0 387.471 3.943 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183557255 912624963 /nfs/dbraw/zinc/62/49/63/912624963.db2.gz KLFGWVBFGFFLJB-HSZRJFAPSA-N 1 0 399.538 3.973 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453458680 880955821 /nfs/dbraw/zinc/95/58/21/880955821.db2.gz ASDCZQRENAFGDN-UHFFFAOYSA-N 1 0 397.445 3.967 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453458585 880956138 /nfs/dbraw/zinc/95/61/38/880956138.db2.gz KBIRBFGUYZSIEM-ZJOUEHCJSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(O)c3Br)CC2)C1=O ZINC001275208216 912625238 /nfs/dbraw/zinc/62/52/38/912625238.db2.gz DTGKLGOVJYSCLZ-LJQANCHMSA-N 1 0 393.325 3.545 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453464731 880968133 /nfs/dbraw/zinc/96/81/33/880968133.db2.gz LFTLBXYEFZPPNY-QKNQBKEWSA-N 1 0 395.551 3.805 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000453466403 880972181 /nfs/dbraw/zinc/97/21/81/880972181.db2.gz PEAZORQTXYNHRE-GOSISDBHSA-N 1 0 375.561 3.654 20 30 GHEDRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(OC)c(C#N)c2)cn1 ZINC000792185313 880973266 /nfs/dbraw/zinc/97/32/66/880973266.db2.gz DFMJWSPWQVRESI-JOCHJYFZSA-N 1 0 390.487 3.519 20 30 GHEDRO CCOC(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCCC1 ZINC000792194388 880980162 /nfs/dbraw/zinc/98/01/62/880980162.db2.gz CBBYAIPTGWASQS-UHFFFAOYSA-N 1 0 380.492 3.677 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000453625037 881115829 /nfs/dbraw/zinc/11/58/29/881115829.db2.gz QSZQVXNYAVZAIO-JOCHJYFZSA-N 1 0 388.508 3.931 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000499107760 881151851 /nfs/dbraw/zinc/15/18/51/881151851.db2.gz VPAYKRQUYXGKTJ-PGRDOPGGSA-N 1 0 388.515 3.757 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1OCC ZINC000188848591 881305462 /nfs/dbraw/zinc/30/54/62/881305462.db2.gz QQYKSGJTNSZILT-UKRRQHHQSA-N 1 0 384.314 3.663 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000556978207 881313798 /nfs/dbraw/zinc/31/37/98/881313798.db2.gz NGXYQWHURJJIPV-CVEARBPZSA-N 1 0 380.423 3.563 20 30 GHEDRO COCC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CCCC1 ZINC000609385098 883131033 /nfs/dbraw/zinc/13/10/33/883131033.db2.gz OKGWGHIBPNSHLZ-MRXNPFEDSA-N 1 0 375.538 3.910 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000135115192 883215747 /nfs/dbraw/zinc/21/57/47/883215747.db2.gz JBUBJVFTVKZUOT-UHFFFAOYSA-N 1 0 377.517 3.815 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)COc2ccccc2C#N)CCCC1)c1ccccc1 ZINC000609480969 883243983 /nfs/dbraw/zinc/24/39/83/883243983.db2.gz DNXWAZCMCMOKDS-GOSISDBHSA-N 1 0 377.488 3.717 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000609483850 883276205 /nfs/dbraw/zinc/27/62/05/883276205.db2.gz LHNOEMKWIKMFGP-IERDGZPVSA-N 1 0 383.517 3.517 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1C#N ZINC000609529472 883318344 /nfs/dbraw/zinc/31/83/44/883318344.db2.gz LYZQPNRHRAZUOZ-HNNXBMFYSA-N 1 0 394.544 3.803 20 30 GHEDRO C#Cc1cccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000175149075 883361221 /nfs/dbraw/zinc/36/12/21/883361221.db2.gz GNRLVAHZROFOBV-UHFFFAOYSA-N 1 0 391.515 3.861 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(F)c1Cl)CC2 ZINC001275221217 912699044 /nfs/dbraw/zinc/69/90/44/912699044.db2.gz YCBFPQSFFGRBLT-UHFFFAOYSA-N 1 0 377.891 3.987 20 30 GHEDRO CSc1ccc(/C=C/C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1 ZINC000858860080 883410830 /nfs/dbraw/zinc/41/08/30/883410830.db2.gz IIABSRPRGNRGRH-VQHVLOKHSA-N 1 0 385.558 3.945 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000804945634 883479503 /nfs/dbraw/zinc/47/95/03/883479503.db2.gz LVYAOXISVLMCJK-HSZRJFAPSA-N 1 0 377.532 3.961 20 30 GHEDRO C#CCCOC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000859167003 883635089 /nfs/dbraw/zinc/63/50/89/883635089.db2.gz RHCIKMVNUCYLAL-QFIPXVFZSA-N 1 0 377.488 3.708 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214818 883669233 /nfs/dbraw/zinc/66/92/33/883669233.db2.gz OZDJPGBLFCAPMS-HNNXBMFYSA-N 1 0 384.911 3.732 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000609776224 883669848 /nfs/dbraw/zinc/66/98/48/883669848.db2.gz FDFNPSQBJHSMEX-UHFFFAOYSA-N 1 0 392.547 3.900 20 30 GHEDRO Cc1nc(CC[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000924627892 883738296 /nfs/dbraw/zinc/73/82/96/883738296.db2.gz FKKHKHXNCHZIPF-OAHLLOKOSA-N 1 0 392.569 3.903 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2C#N)[NH+](C)C)cc1 ZINC000477134758 883761429 /nfs/dbraw/zinc/76/14/29/883761429.db2.gz GTZHFOGCHWZWIK-HXUWFJFHSA-N 1 0 384.455 3.909 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c(OC)c1 ZINC000859632175 883958764 /nfs/dbraw/zinc/95/87/64/883958764.db2.gz DKAAJVVKRDNOQF-ROUUACIJSA-N 1 0 395.503 3.998 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000805781306 884063525 /nfs/dbraw/zinc/06/35/25/884063525.db2.gz YLWDTOVXZSBCCE-URXFXBBRSA-N 1 0 389.543 3.927 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805784246 884066764 /nfs/dbraw/zinc/06/67/64/884066764.db2.gz IQLJENQEGLEKRI-DNQXCXABSA-N 1 0 389.543 3.785 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610349324 884070086 /nfs/dbraw/zinc/07/00/86/884070086.db2.gz BMDIRMMVAPHESP-RXVVDRJESA-N 1 0 376.504 3.831 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000897616060 884139509 /nfs/dbraw/zinc/13/95/09/884139509.db2.gz HWKSLDCIXHNXHS-MRXNPFEDSA-N 1 0 389.425 3.835 20 30 GHEDRO N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805914916 884197967 /nfs/dbraw/zinc/19/79/67/884197967.db2.gz SYDJEIDOPVYYMO-HXUWFJFHSA-N 1 0 384.426 3.855 20 30 GHEDRO CC(C)Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000498383018 884243248 /nfs/dbraw/zinc/24/32/48/884243248.db2.gz ONRUFWHCPLYMDW-UHFFFAOYSA-N 1 0 377.532 3.890 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)/C=C\c1ccc(Br)o1)C(C)C ZINC000914687837 884511581 /nfs/dbraw/zinc/51/15/81/884511581.db2.gz DECYMFDHGHRYMG-YHWKNFMLSA-N 1 0 381.314 3.870 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000806261476 884516234 /nfs/dbraw/zinc/51/62/34/884516234.db2.gz KHQNTMMCBOHVOK-NRFANRHFSA-N 1 0 379.504 3.773 20 30 GHEDRO CC(C)CSCCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000153218148 884554402 /nfs/dbraw/zinc/55/44/02/884554402.db2.gz AYXRUPPVCOUULH-UHFFFAOYSA-N 1 0 388.581 3.555 20 30 GHEDRO C[C@H](CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000610434519 884575635 /nfs/dbraw/zinc/57/56/35/884575635.db2.gz BNGMUSSKEPEQBJ-AUSIDOKSSA-N 1 0 390.531 3.554 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000898115845 884595118 /nfs/dbraw/zinc/59/51/18/884595118.db2.gz KRBAKMKOGQYFSY-QFIPXVFZSA-N 1 0 378.472 3.565 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000495126422 884604571 /nfs/dbraw/zinc/60/45/71/884604571.db2.gz HCSXBAISEGCPPR-NVXWUHKLSA-N 1 0 395.341 3.549 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)c(F)c1 ZINC000898161294 884621335 /nfs/dbraw/zinc/62/13/35/884621335.db2.gz CFMKDNVCXONGMN-UHFFFAOYSA-N 1 0 378.369 3.812 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000424179828 884628218 /nfs/dbraw/zinc/62/82/18/884628218.db2.gz ZFDSJOXIDDLUET-ICSRJNTNSA-N 1 0 398.459 3.863 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000498515647 884684279 /nfs/dbraw/zinc/68/42/79/884684279.db2.gz JIBDHIVBXPXHIX-OALUTQOASA-N 1 0 375.516 3.895 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3sccc3C#N)cc2)C[C@H](C)O1 ZINC000898291450 884700868 /nfs/dbraw/zinc/70/08/68/884700868.db2.gz SMKUODVNWLRCST-IYBDPMFKSA-N 1 0 383.517 3.501 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103093451 884724314 /nfs/dbraw/zinc/72/43/14/884724314.db2.gz ROEKEEQTFYUTHB-OAQYLSRUSA-N 1 0 385.577 3.906 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](C)c1ccccc1 ZINC000542541854 884731759 /nfs/dbraw/zinc/73/17/59/884731759.db2.gz IALAYNOKWDMDMD-IAGOWNOFSA-N 1 0 388.433 3.955 20 30 GHEDRO C=CCc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000914763823 884734878 /nfs/dbraw/zinc/73/48/78/884734878.db2.gz PLNDOYZLECJZMK-UHFFFAOYSA-N 1 0 394.515 3.958 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612148425 884833225 /nfs/dbraw/zinc/83/32/25/884833225.db2.gz GDNBMDGQEVMEMC-MOXGXCLJSA-N 1 0 392.906 3.807 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(Br)c(C)cc3F)C2)C1=O ZINC001275261926 912869136 /nfs/dbraw/zinc/86/91/36/912869136.db2.gz RRUNWXXNKFEOAH-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000106036970 884936417 /nfs/dbraw/zinc/93/64/17/884936417.db2.gz GTSOCQVQILLTGE-UHFFFAOYSA-N 1 0 377.326 3.637 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)c2CC)CC1 ZINC000106036762 884936862 /nfs/dbraw/zinc/93/68/62/884936862.db2.gz UYMZNPLUBNPKSC-UHFFFAOYSA-N 1 0 386.927 3.858 20 30 GHEDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000103450349 885001881 /nfs/dbraw/zinc/00/18/81/885001881.db2.gz HXNXQKNEFMATCF-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccsc1 ZINC000465550445 885105701 /nfs/dbraw/zinc/10/57/01/885105701.db2.gz XLTFXIOANHFDBZ-SLFFLAALSA-N 1 0 382.533 3.832 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(C#N)c(Br)c1)C[NH+]1CCCC1 ZINC000487880350 885156436 /nfs/dbraw/zinc/15/64/36/885156436.db2.gz MNVQEVUADUWLSQ-UHFFFAOYSA-N 1 0 379.302 3.564 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000460378677 885160870 /nfs/dbraw/zinc/16/08/70/885160870.db2.gz ZDFPHMQBKGEBNR-AEFFLSMTSA-N 1 0 385.943 3.771 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001183928020 912915604 /nfs/dbraw/zinc/91/56/04/912915604.db2.gz FHBBPHODUZXZRT-NRFANRHFSA-N 1 0 386.503 3.832 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000777172229 885273953 /nfs/dbraw/zinc/27/39/53/885273953.db2.gz MSAUXVOGBVJBJG-UHFFFAOYSA-N 1 0 391.302 3.771 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCCCC1 ZINC000487886889 885282110 /nfs/dbraw/zinc/28/21/10/885282110.db2.gz WSAFWJHWDPUULE-ZDUSSCGKSA-N 1 0 379.302 3.707 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000807466433 885460566 /nfs/dbraw/zinc/46/05/66/885460566.db2.gz WAJMZDMBMNYRFD-HXUWFJFHSA-N 1 0 399.485 3.673 20 30 GHEDRO N#Cc1ccnnc1NC(=O)CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001183983734 912941929 /nfs/dbraw/zinc/94/19/29/912941929.db2.gz VAORPIRZDHXCEF-UHFFFAOYSA-N 1 0 385.471 3.769 20 30 GHEDRO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cc(Br)ccn3)C2)C1=O ZINC001275281771 912960699 /nfs/dbraw/zinc/96/06/99/912960699.db2.gz IASRYEBHTZMNLD-FQEVSTJZSA-N 1 0 398.304 3.520 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1C ZINC000498777262 885683049 /nfs/dbraw/zinc/68/30/49/885683049.db2.gz MBUBIRMAODPICN-KRWDZBQOSA-N 1 0 393.535 3.542 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000171034247 885690710 /nfs/dbraw/zinc/69/07/10/885690710.db2.gz XKWSDEIREVRRBU-UHFFFAOYSA-N 1 0 381.442 3.573 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000556622434 885696384 /nfs/dbraw/zinc/69/63/84/885696384.db2.gz IETORYCKLUKMFI-GOSISDBHSA-N 1 0 397.544 3.798 20 30 GHEDRO CCCOc1ccc(OCCO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000915213220 886019407 /nfs/dbraw/zinc/01/94/07/886019407.db2.gz SYMCBRXWVPXAHS-UHFFFAOYSA-N 1 0 384.476 3.742 20 30 GHEDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000915217088 886047029 /nfs/dbraw/zinc/04/70/29/886047029.db2.gz YCDUOLIYVKVOHB-HNAYVOBHSA-N 1 0 386.455 3.925 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c(F)c1 ZINC000532568401 886124968 /nfs/dbraw/zinc/12/49/68/886124968.db2.gz NQCFCZUEBRSZSY-OAHLLOKOSA-N 1 0 379.357 3.964 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)ccc1OC ZINC000131484445 886134392 /nfs/dbraw/zinc/13/43/92/886134392.db2.gz LWLRTSCJETVTGG-KRWDZBQOSA-N 1 0 393.487 3.538 20 30 GHEDRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000532581975 886175409 /nfs/dbraw/zinc/17/54/09/886175409.db2.gz LCBXVYOKYHWKFQ-IRXDYDNUSA-N 1 0 375.538 3.572 20 30 GHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000532581980 886176079 /nfs/dbraw/zinc/17/60/79/886176079.db2.gz LCBXVYOKYHWKFQ-SJORKVTESA-N 1 0 375.538 3.572 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCC(C)CC1 ZINC000487945470 886334916 /nfs/dbraw/zinc/33/49/16/886334916.db2.gz BHRWFGVLAVZXJG-CYBMUJFWSA-N 1 0 379.302 3.563 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000805310981 886338428 /nfs/dbraw/zinc/33/84/28/886338428.db2.gz WPNMBQKPVDURJO-HSZRJFAPSA-N 1 0 393.531 3.749 20 30 GHEDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000487965824 886577589 /nfs/dbraw/zinc/57/75/89/886577589.db2.gz GWNIOGYYYZKDSR-OKZBNKHCSA-N 1 0 381.501 3.561 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000808713474 886696622 /nfs/dbraw/zinc/69/66/22/886696622.db2.gz NJFFHTGBKFCHPY-QFSNBGPKSA-N 1 0 379.460 3.570 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cc(C#N)cs1 ZINC000808827131 886830679 /nfs/dbraw/zinc/83/06/79/886830679.db2.gz GXELKUFKFIUUBN-UHFFFAOYSA-N 1 0 385.489 3.679 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cc1 ZINC000125300943 886851854 /nfs/dbraw/zinc/85/18/54/886851854.db2.gz HPIFATPUTSASKW-UHFFFAOYSA-N 1 0 378.476 3.501 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001184311105 913121396 /nfs/dbraw/zinc/12/13/96/913121396.db2.gz XWDQXNGQKBBNEE-YADHBBJMSA-N 1 0 398.547 3.647 20 30 GHEDRO COc1cc(-c2noc(-c3ccc(C)c(C#N)c3)n2)ccc1OCC[NH+](C)C ZINC000809317588 887293515 /nfs/dbraw/zinc/29/35/15/887293515.db2.gz SIXLMTDBBNWRIG-UHFFFAOYSA-N 1 0 378.432 3.533 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC001168500689 887564074 /nfs/dbraw/zinc/56/40/74/887564074.db2.gz JCRQTRZMCZVNOC-CVEARBPZSA-N 1 0 383.414 3.978 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H](O)c1ccccc1 ZINC000794601666 887666737 /nfs/dbraw/zinc/66/67/37/887666737.db2.gz ASIRJXDJLOVHRD-YUXAGFNASA-N 1 0 379.504 3.670 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794601663 887666824 /nfs/dbraw/zinc/66/68/24/887666824.db2.gz ASIRJXDJLOVHRD-BWAGFHJFSA-N 1 0 379.504 3.670 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000809749320 887784850 /nfs/dbraw/zinc/78/48/50/887784850.db2.gz FJOUUMLNGRPXQS-UHFFFAOYSA-N 1 0 387.524 3.552 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670232887 887786852 /nfs/dbraw/zinc/78/68/52/887786852.db2.gz CPTCYASPPUNLFS-IBGZPJMESA-N 1 0 383.515 3.649 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000670233926 887789289 /nfs/dbraw/zinc/78/92/89/887789289.db2.gz YBENMRXSFDCSON-QFIPXVFZSA-N 1 0 393.579 3.952 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3conc3C3CCCC3)CC2)cc1 ZINC000864658915 887909328 /nfs/dbraw/zinc/90/93/28/887909328.db2.gz UWNSHFZOUJSCFQ-UHFFFAOYSA-N 1 0 378.476 3.552 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000810008469 888074866 /nfs/dbraw/zinc/07/48/66/888074866.db2.gz IBFDQJBWHHFSKJ-WWPVKYPJSA-N 1 0 390.531 3.665 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)CCc2ccc(Br)cc21 ZINC000794813644 888185535 /nfs/dbraw/zinc/18/55/35/888185535.db2.gz BYWQAWTUFCYYBN-GUYCJALGSA-N 1 0 386.355 3.653 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCO[C@@H](c3ccccc3)C1)CCC2 ZINC000609234243 888209960 /nfs/dbraw/zinc/20/99/60/888209960.db2.gz WVYZTHLGOWOQNL-LJQANCHMSA-N 1 0 395.528 3.901 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(Sc3ccc(C)cc3)ns2)CC1 ZINC000810244487 888345478 /nfs/dbraw/zinc/34/54/78/888345478.db2.gz FJOOYRCZLTUCCS-UHFFFAOYSA-N 1 0 389.550 3.770 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000865464254 888367288 /nfs/dbraw/zinc/36/72/88/888367288.db2.gz VNOTYMUXRHXSLA-NRFANRHFSA-N 1 0 377.488 3.893 20 30 GHEDRO C[C@H]1C[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@@H+]1C ZINC000810342197 888441243 /nfs/dbraw/zinc/44/12/43/888441243.db2.gz RKXBGYMDIRCEEX-YJBOKZPZSA-N 1 0 381.451 3.945 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C2CC2)cc1 ZINC000171284867 888454716 /nfs/dbraw/zinc/45/47/16/888454716.db2.gz ZVCCSKZEKHBNRX-HXUWFJFHSA-N 1 0 378.476 3.662 20 30 GHEDRO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000810404429 888504629 /nfs/dbraw/zinc/50/46/29/888504629.db2.gz BFXCJMIICGYHGM-FQEVSTJZSA-N 1 0 386.417 3.620 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1OC ZINC000865778237 888566040 /nfs/dbraw/zinc/56/60/40/888566040.db2.gz HPFVPPCXKHMEFF-MRXNPFEDSA-N 1 0 381.900 3.589 20 30 GHEDRO C[NH+](C)CCOc1ccc(CN=Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000915942294 888582302 /nfs/dbraw/zinc/58/23/02/888582302.db2.gz LMOBFFRZYHSHRQ-UHFFFAOYSA-N 1 0 381.505 3.566 20 30 GHEDRO CC[NH+](CC)CCN1c2ccccc2C(=NNc2cccc3ncccc32)C1=O ZINC000915964029 888604233 /nfs/dbraw/zinc/60/42/33/888604233.db2.gz RNMSDWQSWZOWNN-UHFFFAOYSA-N 1 0 387.487 3.739 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)Cc2cccc(OCC#N)c2)C1 ZINC000810673313 888762406 /nfs/dbraw/zinc/76/24/06/888762406.db2.gz CIFHSCBGSCEYJM-JPYJTQIMSA-N 1 0 396.462 3.850 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(OC)c2OC)no1 ZINC001211975304 888765546 /nfs/dbraw/zinc/76/55/46/888765546.db2.gz CNBHAIKHFLNGJH-WBVHZDCISA-N 1 0 389.496 3.832 20 30 GHEDRO CN(C)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000153893621 888827419 /nfs/dbraw/zinc/82/74/19/888827419.db2.gz XYDQMUGPGLPLFC-UHFFFAOYSA-N 1 0 399.926 3.873 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000810843067 888934616 /nfs/dbraw/zinc/93/46/16/888934616.db2.gz CZXWRZCTKCVBIX-WOJBJXKFSA-N 1 0 392.503 3.864 20 30 GHEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1cccc(F)c1 ZINC000121600966 889051407 /nfs/dbraw/zinc/05/14/07/889051407.db2.gz BAFWYWJXIGIYEI-QFIPXVFZSA-N 1 0 391.494 3.995 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)=NNC(=S)NCc2ccccc2)ccc1O ZINC000916541899 889098167 /nfs/dbraw/zinc/09/81/67/889098167.db2.gz MUHIJEIWMGRZOJ-UHFFFAOYSA-N 1 0 384.549 3.622 20 30 GHEDRO CN(C(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)C1(C#N)CCCCC1 ZINC000121780697 889140516 /nfs/dbraw/zinc/14/05/16/889140516.db2.gz BHVZDOMUGBZORM-OALUTQOASA-N 1 0 387.524 3.633 20 30 GHEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1OC ZINC000122841532 889208695 /nfs/dbraw/zinc/20/86/95/889208695.db2.gz ZDJDXRHZIWPBKX-UHFFFAOYSA-N 1 0 399.922 3.937 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F)C(F)(F)F ZINC000867980402 889245383 /nfs/dbraw/zinc/24/53/83/889245383.db2.gz SLJMXFNYZFTRCY-VIFPVBQESA-N 1 0 398.225 3.614 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000868115821 889303107 /nfs/dbraw/zinc/30/31/07/889303107.db2.gz DIXFISGYFURFQA-RBUKOAKNSA-N 1 0 392.459 3.717 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868119393 889304482 /nfs/dbraw/zinc/30/44/82/889304482.db2.gz PUQGSHZWCAWHSY-FCHUYYIVSA-N 1 0 390.487 3.804 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000454564261 889335064 /nfs/dbraw/zinc/33/50/64/889335064.db2.gz LGPSCLCBNWGDRI-MGPUTAFESA-N 1 0 382.533 3.943 20 30 GHEDRO N#CC1(c2cccc(N(CC[NH3+])C34CC5CC(CC(C5)C3)C4)c2)CCOCC1 ZINC001170629889 889358068 /nfs/dbraw/zinc/35/80/68/889358068.db2.gz KZUKRTIFFZOGQO-UHFFFAOYSA-N 1 0 379.548 3.992 20 30 GHEDRO CC[NH+](CC)[C@@H](C/N=C\c1c(O)c(C)ncc1CO)c1ccccc1Cl ZINC000747713411 889560521 /nfs/dbraw/zinc/56/05/21/889560521.db2.gz WFYMITPLPQBVQD-SNINMWPCSA-N 1 0 375.900 3.743 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1nc(C#N)cs1)CC1CCCC1 ZINC000811506910 889699784 /nfs/dbraw/zinc/69/97/84/889699784.db2.gz KFWQXNSPRWZFFX-UHFFFAOYSA-N 1 0 378.542 3.922 20 30 GHEDRO COc1ccc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1C#N ZINC000533079881 889704075 /nfs/dbraw/zinc/70/40/75/889704075.db2.gz IAASKHIQGFVDLQ-PKOBYXMFSA-N 1 0 377.271 3.964 20 30 GHEDRO C=CCn1c(SCC[C@H]2CCC[N@H+]2C)nnc1[C@@H]1COc2ccccc2O1 ZINC000124714834 889734637 /nfs/dbraw/zinc/73/46/37/889734637.db2.gz IKVOFYLIZBPNPO-QAPCUYQASA-N 1 0 386.521 3.553 20 30 GHEDRO N#Cc1cnccc1C[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001170639493 889830582 /nfs/dbraw/zinc/83/05/82/889830582.db2.gz PWQMNVNRUKWFES-NZQKXSOJSA-N 1 0 389.430 3.633 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(Cc3csc(C)n3)C2=O)C1 ZINC001275329178 913391546 /nfs/dbraw/zinc/39/15/46/913391546.db2.gz OKXJQJRFGYCYCO-HXUWFJFHSA-N 1 0 375.538 3.539 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1 ZINC001184732100 913399372 /nfs/dbraw/zinc/39/93/72/913399372.db2.gz UYTRCEAJXMMKMJ-QFIPXVFZSA-N 1 0 378.451 3.970 20 30 GHEDRO COC(=O)[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000811805186 889990062 /nfs/dbraw/zinc/99/00/62/889990062.db2.gz HOZBDGBNESYVRS-GMAHTHKFSA-N 1 0 391.515 3.664 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCc4cc(F)cc(F)c4C3)CC2)cc1 ZINC001170656587 890227367 /nfs/dbraw/zinc/22/73/67/890227367.db2.gz BGLLONMJCZFHKY-OAQYLSRUSA-N 1 0 381.470 3.948 20 30 GHEDRO C=CCCC[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000533299524 890244622 /nfs/dbraw/zinc/24/46/22/890244622.db2.gz LMYABVIZZDOYPK-HXUWFJFHSA-N 1 0 381.476 3.864 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000812319047 890536806 /nfs/dbraw/zinc/53/68/06/890536806.db2.gz RPAOWIYYKSIZPU-FCHUYYIVSA-N 1 0 395.478 3.645 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000455268995 890647561 /nfs/dbraw/zinc/64/75/61/890647561.db2.gz BANIMKAEHQPSIR-RXVVDRJESA-N 1 0 376.504 3.749 20 30 GHEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1nc(C#N)c(C#N)nc1-c1ccccc1 ZINC001170680935 890749549 /nfs/dbraw/zinc/74/95/49/890749549.db2.gz ISRRULMGGRDVCC-HNNXBMFYSA-N 1 0 391.438 3.759 20 30 GHEDRO N#CCCCN1C(=O)[C@]2(CC[N@@H+](Cc3cnc(Cl)s3)C2)c2ccccc21 ZINC001275348595 913499694 /nfs/dbraw/zinc/49/96/94/913499694.db2.gz LWAMQESSZCQAHP-IBGZPJMESA-N 1 0 386.908 3.591 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000123690280 890925801 /nfs/dbraw/zinc/92/58/01/890925801.db2.gz BDSKCOVHWNKURT-UHFFFAOYSA-N 1 0 387.524 3.585 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000066391878 890929282 /nfs/dbraw/zinc/92/92/82/890929282.db2.gz YOAWZJNDCJMACC-KRWDZBQOSA-N 1 0 378.944 3.791 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000455423396 890935840 /nfs/dbraw/zinc/93/58/40/890935840.db2.gz NTBIPSXUAOOOSO-HSZRJFAPSA-N 1 0 389.543 3.808 20 30 GHEDRO N#CCc1ccnc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000871726540 890993452 /nfs/dbraw/zinc/99/34/52/890993452.db2.gz MRKXGJYAGSEPOK-LEWJYISDSA-N 1 0 389.503 3.666 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812936114 891144457 /nfs/dbraw/zinc/14/44/57/891144457.db2.gz MDJPFKXPNBZIPM-HSZRJFAPSA-N 1 0 393.506 3.850 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278347 891224600 /nfs/dbraw/zinc/22/46/00/891224600.db2.gz OHDXKNFYHAVRJN-ICSRJNTNSA-N 1 0 399.535 3.754 20 30 GHEDRO Cc1noc([C@@H]2CCCN([C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n1 ZINC000249769694 891520554 /nfs/dbraw/zinc/52/05/54/891520554.db2.gz RFVFMKCOCPIIIT-PKOBYXMFSA-N 1 0 395.507 3.510 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873308143 891572954 /nfs/dbraw/zinc/57/29/54/891572954.db2.gz AWABHYIEDIFXJF-JHJVBQTASA-N 1 0 386.443 3.682 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NC(C)(C)C)cc1 ZINC000127677801 891670756 /nfs/dbraw/zinc/67/07/56/891670756.db2.gz HRRNTFDDFRDDSG-UHFFFAOYSA-O 1 0 383.537 3.798 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1C ZINC000128330718 891675455 /nfs/dbraw/zinc/67/54/55/891675455.db2.gz AZAHXENMFLTAFR-PZJWPPBQSA-N 1 0 379.508 3.520 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000813618707 891822119 /nfs/dbraw/zinc/82/21/19/891822119.db2.gz IUUMOQUELJCNTC-SFHVURJKSA-N 1 0 378.369 3.615 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000161943539 891841025 /nfs/dbraw/zinc/84/10/25/891841025.db2.gz CLFBPFWAFJHKPA-SFHVURJKSA-N 1 0 376.504 3.721 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000128515208 892053554 /nfs/dbraw/zinc/05/35/54/892053554.db2.gz FHHRWANAYXZSMJ-FQEVSTJZSA-N 1 0 394.515 3.854 20 30 GHEDRO C#CCN(C(=O)c1ccc(OCCCCCC)c(OC)c1)C1CC[NH+](C)CC1 ZINC001134044018 892207265 /nfs/dbraw/zinc/20/72/65/892207265.db2.gz QYZYMHOEFKIUTP-UHFFFAOYSA-N 1 0 386.536 3.824 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000729808624 892217840 /nfs/dbraw/zinc/21/78/40/892217840.db2.gz DEWASXUZRFMYRL-HXUWFJFHSA-N 1 0 379.456 3.529 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000729809601 892221016 /nfs/dbraw/zinc/22/10/16/892221016.db2.gz MPXWBNJNTNAWBX-QGZVFWFLSA-N 1 0 376.294 3.512 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(CO)c1 ZINC000154496982 892423155 /nfs/dbraw/zinc/42/31/55/892423155.db2.gz CEEKEDOUUDXHCI-CQSZACIVSA-O 1 0 383.493 3.540 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000774835260 913668704 /nfs/dbraw/zinc/66/87/04/913668704.db2.gz LHLNHSDZVLKZMS-BEFAXECRSA-N 1 0 386.455 3.973 20 30 GHEDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@H]2C1 ZINC000192475531 892532626 /nfs/dbraw/zinc/53/26/26/892532626.db2.gz PGAUNIYSBIHNAD-CALCHBBNSA-N 1 0 381.863 3.638 20 30 GHEDRO C#CCN(C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)C1CC[NH+](C)CC1 ZINC001134262445 892538727 /nfs/dbraw/zinc/53/87/27/892538727.db2.gz BLSAXPRUEWNPLD-UHFFFAOYSA-N 1 0 383.923 3.917 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000825802361 892709100 /nfs/dbraw/zinc/70/91/00/892709100.db2.gz AFPOVJXNQUXEFB-HSZRJFAPSA-N 1 0 391.515 3.581 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508704185 892759013 /nfs/dbraw/zinc/75/90/13/892759013.db2.gz BPBUPHBSHPVIAX-LJQANCHMSA-N 1 0 383.540 3.520 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)CCCCC1 ZINC000933266164 892982731 /nfs/dbraw/zinc/98/27/31/892982731.db2.gz QMOOQHAKFITUAW-UHFFFAOYSA-N 1 0 395.425 3.918 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000125804235 893018480 /nfs/dbraw/zinc/01/84/80/893018480.db2.gz LDVOBECJMXRZOC-OUKQBFOZSA-N 1 0 384.483 3.710 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000814659744 893021615 /nfs/dbraw/zinc/02/16/15/893021615.db2.gz AHWLBLANIBIXJP-MRXNPFEDSA-N 1 0 392.459 3.584 20 30 GHEDRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000933611661 893098817 /nfs/dbraw/zinc/09/88/17/893098817.db2.gz SUFVDAXTOIUJSR-INIZCTEOSA-N 1 0 390.487 3.723 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)c1ccccc1Br ZINC001170768827 893223114 /nfs/dbraw/zinc/22/31/14/893223114.db2.gz HYSMWVMKJRUHNH-IBGZPJMESA-N 1 0 389.293 3.503 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000876560132 893230093 /nfs/dbraw/zinc/23/00/93/893230093.db2.gz GJLLCNOHAUKJQN-OAHLLOKOSA-N 1 0 378.881 3.522 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2C2CC2)[C@H](C)C1 ZINC000933837922 893250158 /nfs/dbraw/zinc/25/01/58/893250158.db2.gz JYYAQORWWZISQG-OXQOHEQNSA-N 1 0 384.524 3.694 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000498103151 893278169 /nfs/dbraw/zinc/27/81/69/893278169.db2.gz YJMAREPAPAOMJK-IBGZPJMESA-N 1 0 393.535 3.685 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)nc1 ZINC000498115258 893312709 /nfs/dbraw/zinc/31/27/09/893312709.db2.gz DGBCWYSEKCKMPU-UHFFFAOYSA-N 1 0 394.482 3.614 20 30 GHEDRO C#CCCCCCC[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000876989593 893421404 /nfs/dbraw/zinc/42/14/04/893421404.db2.gz ZCBLVRIZKLSJQF-UHFFFAOYSA-N 1 0 376.566 3.622 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000877012377 893432981 /nfs/dbraw/zinc/43/29/81/893432981.db2.gz RPBBYOOJJINNMU-UONOGXRCSA-N 1 0 387.705 3.591 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1C#N ZINC000815156078 893492505 /nfs/dbraw/zinc/49/25/05/893492505.db2.gz UDUNIIOHUIMDKZ-FOIQADDNSA-N 1 0 381.451 3.548 20 30 GHEDRO C=CC[N@H+](Cc1cnc(C)n1-c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536676328 893515363 /nfs/dbraw/zinc/51/53/63/893515363.db2.gz MJEVRRQPNPPNEG-SFHVURJKSA-N 1 0 399.502 3.906 20 30 GHEDRO C=CC[N@H+](Cc1cnc2ccc(Cl)cn12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536677139 893518693 /nfs/dbraw/zinc/51/86/93/893518693.db2.gz WASZULBTKYOFOB-OAHLLOKOSA-N 1 0 393.882 3.713 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815200689 893553787 /nfs/dbraw/zinc/55/37/87/893553787.db2.gz IVWDIHDLZFGYAP-RBUKOAKNSA-N 1 0 393.572 3.523 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815200687 893554329 /nfs/dbraw/zinc/55/43/29/893554329.db2.gz IVWDIHDLZFGYAP-OALUTQOASA-N 1 0 393.572 3.523 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)C2=O)cc1 ZINC000877475324 893633052 /nfs/dbraw/zinc/63/30/52/893633052.db2.gz OTGXHLKCZOLJGQ-INIZCTEOSA-N 1 0 396.903 3.712 20 30 GHEDRO N#CC1(NC(=O)c2cnc3c(F)cccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000498222181 893635046 /nfs/dbraw/zinc/63/50/46/893635046.db2.gz QYIPVMAWWVWRLQ-UHFFFAOYSA-N 1 0 388.446 3.662 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877496042 893645718 /nfs/dbraw/zinc/64/57/18/893645718.db2.gz KRLHEIBHOVEDQN-PBHICJAKSA-N 1 0 379.501 3.505 20 30 GHEDRO Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC001137122930 893703060 /nfs/dbraw/zinc/70/30/60/893703060.db2.gz ZHQXBPPUTJSVEQ-UHFFFAOYSA-N 1 0 378.476 3.684 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cnn(CC2CCC2)c1 ZINC000934554814 893709128 /nfs/dbraw/zinc/70/91/28/893709128.db2.gz QJRPFGUUDIINHM-SJORKVTESA-N 1 0 397.498 3.808 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC001137124221 893718087 /nfs/dbraw/zinc/71/80/87/893718087.db2.gz WTFMJGXTENOSLE-UHFFFAOYSA-N 1 0 397.906 3.771 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C1CCOCC1 ZINC000877637764 893735734 /nfs/dbraw/zinc/73/57/34/893735734.db2.gz LYQOTFIMXIGSJF-AABGKKOBSA-N 1 0 391.353 3.602 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000877809780 893821334 /nfs/dbraw/zinc/82/13/34/893821334.db2.gz UQOZOSUITAIQGU-UHFFFAOYSA-N 1 0 395.438 3.982 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[C@H]1OCCc2sccc21)C(C)C ZINC000556128107 893857352 /nfs/dbraw/zinc/85/73/52/893857352.db2.gz ZWNFJXCRWYSTNC-ILZDJORESA-N 1 0 376.566 3.813 20 30 GHEDRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000459640616 893957642 /nfs/dbraw/zinc/95/76/42/893957642.db2.gz LRROMFAOJAKCDK-KRWDZBQOSA-N 1 0 384.911 3.983 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)CCCc2cccnc2)c1 ZINC000459643361 893964761 /nfs/dbraw/zinc/96/47/61/893964761.db2.gz OJCAUJNNTGMVEQ-HXUWFJFHSA-N 1 0 378.520 3.946 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000126958594 894074034 /nfs/dbraw/zinc/07/40/34/894074034.db2.gz SKIJWYBHIUTFFX-OAQYLSRUSA-N 1 0 388.467 3.811 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000878240202 894123496 /nfs/dbraw/zinc/12/34/96/894123496.db2.gz DWDSGQYANOUQSX-VWNXMTODSA-N 1 0 392.499 3.814 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000563815164 894219180 /nfs/dbraw/zinc/21/91/80/894219180.db2.gz QHBPHBRZYANIMT-OAHLLOKOSA-N 1 0 376.287 3.940 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878385186 894249087 /nfs/dbraw/zinc/24/90/87/894249087.db2.gz VDTZQSFQEIMYLT-HFJQGTKSSA-N 1 0 399.535 3.662 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[NH+]2CCCC2)c1 ZINC000563842041 894250794 /nfs/dbraw/zinc/25/07/94/894250794.db2.gz OSGPWSLMNWPOTH-FQEVSTJZSA-N 1 0 382.439 3.665 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000878478581 894322942 /nfs/dbraw/zinc/32/29/42/894322942.db2.gz MPURREHTAJCSPR-HSZRJFAPSA-N 1 0 399.535 3.806 20 30 GHEDRO C[N@H+](CCCOC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000815979901 894352038 /nfs/dbraw/zinc/35/20/38/894352038.db2.gz RMQSHXZPPWNQEU-UHFFFAOYSA-N 1 0 377.366 3.651 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc2c(c1)CCCC2 ZINC000022792603 894403769 /nfs/dbraw/zinc/40/37/69/894403769.db2.gz NNIHXTXHGQXDLG-UHFFFAOYSA-O 1 0 397.564 3.645 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3cscc3C#N)c(C(F)(F)F)c2)CC1 ZINC000460008061 894548536 /nfs/dbraw/zinc/54/85/36/894548536.db2.gz GFAIFKULAMFNAE-UHFFFAOYSA-N 1 0 394.422 3.643 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)nc1 ZINC000879026430 894791690 /nfs/dbraw/zinc/79/16/90/894791690.db2.gz HCEFWKGZIHHIPU-IBGZPJMESA-N 1 0 386.293 3.629 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[NH+]2CCCCC2)cc1 ZINC001135642377 894968061 /nfs/dbraw/zinc/96/80/61/894968061.db2.gz JWINNIPLIJSPFB-NRFANRHFSA-N 1 0 399.441 3.802 20 30 GHEDRO C=CCCC[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000879342337 894995195 /nfs/dbraw/zinc/99/51/95/894995195.db2.gz ACVOHLFWWKGLIQ-ACIOBRDBSA-N 1 0 383.580 3.611 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734924 895260596 /nfs/dbraw/zinc/26/05/96/895260596.db2.gz PZFWXGTTWWCJHO-APWZRJJASA-N 1 0 387.549 3.958 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)CC1 ZINC000817030858 895274059 /nfs/dbraw/zinc/27/40/59/895274059.db2.gz COMMFNNNJWYAAR-UHFFFAOYSA-N 1 0 391.353 3.540 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000817417663 895594333 /nfs/dbraw/zinc/59/43/33/895594333.db2.gz RKYGUHXSGFJEEZ-QGZVFWFLSA-N 1 0 385.508 3.953 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000565403580 895599138 /nfs/dbraw/zinc/59/91/38/895599138.db2.gz KYDYMGAWYBRVHG-MJGOQNOKSA-N 1 0 387.911 3.821 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCOC1 ZINC000880468737 895721380 /nfs/dbraw/zinc/72/13/80/895721380.db2.gz GIWIBCMZGSFCKJ-ZACQAIPSSA-N 1 0 375.538 3.672 20 30 GHEDRO CN(CCCC[NH+]1CCCCC1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000880517562 895738603 /nfs/dbraw/zinc/73/86/03/895738603.db2.gz SKSUDLYRZFPHBQ-KRWDZBQOSA-N 1 0 384.549 3.670 20 30 GHEDRO C[NH+](C)CCOc1cc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)ccn1 ZINC000565858747 895936767 /nfs/dbraw/zinc/93/67/67/895936767.db2.gz GTNUQNWAMMMFQT-UHFFFAOYSA-N 1 0 377.448 3.540 20 30 GHEDRO C#CCC1(NC(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)CCOCC1 ZINC000888853990 896021026 /nfs/dbraw/zinc/02/10/26/896021026.db2.gz WFOYCOGZHQIDRE-UHFFFAOYSA-N 1 0 398.532 3.585 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000566002585 896041799 /nfs/dbraw/zinc/04/17/99/896041799.db2.gz SEVNVEALNZXFEF-UHFFFAOYSA-N 1 0 384.867 3.744 20 30 GHEDRO CC1(C)CN(C(=O)c2cnccc2C#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000566071223 896090260 /nfs/dbraw/zinc/09/02/60/896090260.db2.gz SQPSWYZRRPNIMT-JOCHJYFZSA-N 1 0 388.515 3.716 20 30 GHEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2C(=O)OC(C)(C)C)nn1 ZINC000818347267 896101817 /nfs/dbraw/zinc/10/18/17/896101817.db2.gz OVIULUGRYLNVTM-IPMKNSEASA-N 1 0 389.544 3.512 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000881149321 896199725 /nfs/dbraw/zinc/19/97/25/896199725.db2.gz OYXHCRKDTCKSHZ-UHFFFAOYSA-N 1 0 389.503 3.668 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]CCCc2ccc(Br)cc2F)cc1 ZINC000819083292 896366650 /nfs/dbraw/zinc/36/66/50/896366650.db2.gz YYYVRWGUGJFUBP-SFHVURJKSA-N 1 0 377.257 3.716 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000819069971 896385138 /nfs/dbraw/zinc/38/51/38/896385138.db2.gz ZATZANGCUPPCIW-HXUWFJFHSA-N 1 0 380.492 3.552 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000566574776 896386846 /nfs/dbraw/zinc/38/68/46/896386846.db2.gz PWWWOVYTLBJHRS-HXUWFJFHSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C1CC1 ZINC000566576800 896387935 /nfs/dbraw/zinc/38/79/35/896387935.db2.gz YAADYWMHCYHUGL-OAHLLOKOSA-N 1 0 384.261 3.564 20 30 GHEDRO CC[C@H](C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000566642656 896445872 /nfs/dbraw/zinc/44/58/72/896445872.db2.gz LHHWOMKUSDYTEW-IFXJQAMLSA-N 1 0 391.924 3.757 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)s1 ZINC000819199735 896472011 /nfs/dbraw/zinc/47/20/11/896472011.db2.gz YCDRCGNLGDLCIX-AWEZNQCLSA-N 1 0 388.002 3.687 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000566943837 896723576 /nfs/dbraw/zinc/72/35/76/896723576.db2.gz LCBZOYMWFWOAGL-ICSRJNTNSA-N 1 0 391.581 3.755 20 30 GHEDRO CC(C)n1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC000567215622 896976612 /nfs/dbraw/zinc/97/66/12/896976612.db2.gz WIFCDPZZQFMOCD-UHFFFAOYSA-N 1 0 380.540 3.740 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)C2=O)cc1 ZINC000567283650 897034361 /nfs/dbraw/zinc/03/43/61/897034361.db2.gz NTCPTWPSAVTOGV-URXFXBBRSA-N 1 0 387.483 3.523 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3c(C#N)cccc3[N+](=O)[O-])cc2F)CC1 ZINC000819915374 897049057 /nfs/dbraw/zinc/04/90/57/897049057.db2.gz BUMMPZZCNIYWCM-UHFFFAOYSA-N 1 0 383.427 3.880 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000567345594 897080701 /nfs/dbraw/zinc/08/07/01/897080701.db2.gz MTTWQIGSOVUVDK-IEBWSBKVSA-N 1 0 378.394 3.624 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NCc2ccon2)cc1 ZINC000131090217 897319624 /nfs/dbraw/zinc/31/96/24/897319624.db2.gz VDLRAHCAIZYGMR-UHFFFAOYSA-O 1 0 386.522 3.623 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001136338842 897323425 /nfs/dbraw/zinc/32/34/25/897323425.db2.gz JMKQANIIVIKDKT-QFIPXVFZSA-N 1 0 375.516 3.659 20 30 GHEDRO COc1c(C)cc(C[N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)cc1C ZINC000131122906 897331887 /nfs/dbraw/zinc/33/18/87/897331887.db2.gz IOIFQWIXAXMRQN-UHFFFAOYSA-N 1 0 375.476 3.840 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)[C@@H]1CCCO1 ZINC000883223094 897382222 /nfs/dbraw/zinc/38/22/22/897382222.db2.gz HYGBDZHGBHADFZ-UXHICEINSA-N 1 0 397.519 3.659 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000567859487 897457776 /nfs/dbraw/zinc/45/77/76/897457776.db2.gz FBAOZUCFRJSTMR-QGZVFWFLSA-N 1 0 393.457 3.670 20 30 GHEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000883399199 897561367 /nfs/dbraw/zinc/56/13/67/897561367.db2.gz GTPQYVMQRZCBOB-OCCSQVGLSA-N 1 0 390.293 3.686 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC001170958089 897706810 /nfs/dbraw/zinc/70/68/10/897706810.db2.gz IYOHXZIOBRLJGC-JKSUJKDBSA-N 1 0 380.554 3.561 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCc2csc(N3CCCC3)n2)c(C(F)(F)F)c1 ZINC000568332853 897750599 /nfs/dbraw/zinc/75/05/99/897750599.db2.gz UXWKIHPMWBAHPH-UHFFFAOYSA-N 1 0 380.439 3.966 20 30 GHEDRO CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)ccc1OCC#N ZINC000805760611 897764173 /nfs/dbraw/zinc/76/41/73/897764173.db2.gz HPEXGCKVJXFYSN-KRWDZBQOSA-N 1 0 379.888 3.685 20 30 GHEDRO CCOc1ccc(O)c(/C=N/[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000132441655 897791230 /nfs/dbraw/zinc/79/12/30/897791230.db2.gz DNZUQCFJBJSSMJ-ZMPUUUETSA-N 1 0 384.476 3.502 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000568567731 897942916 /nfs/dbraw/zinc/94/29/16/897942916.db2.gz VMBQIOTYQNKLOF-CTNGQTDRSA-N 1 0 397.567 3.826 20 30 GHEDRO Cc1ccnc(NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)c1C#N ZINC001185970110 914234808 /nfs/dbraw/zinc/23/48/08/914234808.db2.gz SZQPALRLSQXQGE-RTBURBONSA-N 1 0 378.520 3.883 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)CC1 ZINC000106323823 898265068 /nfs/dbraw/zinc/26/50/68/898265068.db2.gz FBPMGBOFCAIBIZ-UHFFFAOYSA-N 1 0 398.551 3.829 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000106324552 898266364 /nfs/dbraw/zinc/26/63/64/898266364.db2.gz PWBNBHNQWJUXHO-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3c(c2)N(c2ccccc2)C(=O)C3)cc1 ZINC001170989353 898435806 /nfs/dbraw/zinc/43/58/06/898435806.db2.gz QESUURWNEXDKNF-UHFFFAOYSA-N 1 0 385.423 3.731 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)ccc1C#N ZINC000569425323 898648308 /nfs/dbraw/zinc/64/83/08/898648308.db2.gz ANCGNYUNAVAWNS-KRWDZBQOSA-N 1 0 394.425 3.813 20 30 GHEDRO CCCCc1oc2ccccc2c1CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884059166 898717547 /nfs/dbraw/zinc/71/75/47/898717547.db2.gz ILCQNUKJGWHTNN-WCCYLALTSA-N 1 0 379.504 3.873 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@H]1C ZINC000569510856 898728791 /nfs/dbraw/zinc/72/87/91/898728791.db2.gz CNWOVCFNBITZKL-CVEARBPZSA-N 1 0 379.464 3.692 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000111261667 898794413 /nfs/dbraw/zinc/79/44/13/898794413.db2.gz GFAXSPGBBYDZLN-UHFFFAOYSA-N 1 0 377.488 3.816 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C2 ZINC000884078997 898804749 /nfs/dbraw/zinc/80/47/49/898804749.db2.gz DMWYTVFBRKDMRQ-BOLVRDICSA-N 1 0 378.303 3.796 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000569630891 898836483 /nfs/dbraw/zinc/83/64/83/898836483.db2.gz YZHARPRCKYJYON-UHFFFAOYSA-N 1 0 393.413 3.663 20 30 GHEDRO N#Cc1cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000569681316 898880698 /nfs/dbraw/zinc/88/06/98/898880698.db2.gz AJNQQVKBDYBEJL-HKUYNNGSSA-N 1 0 378.451 3.683 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1)C2 ZINC000884110448 898913033 /nfs/dbraw/zinc/91/30/33/898913033.db2.gz KRWKBSJCVKBPNP-WHRZTLTBSA-N 1 0 393.918 3.879 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000331564386 898985741 /nfs/dbraw/zinc/98/57/41/898985741.db2.gz UEKHKBNNAKKQSA-MOPGFXCFSA-N 1 0 383.536 3.829 20 30 GHEDRO C=CCC1(c2nc(-c3ccc(OC4CC[NH2+]CC4)c(F)c3)no2)CCOCC1 ZINC000823402037 899012360 /nfs/dbraw/zinc/01/23/60/899012360.db2.gz OVQYMHZSPGVMOC-UHFFFAOYSA-N 1 0 387.455 3.631 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)s2)cc1 ZINC000113952263 899047424 /nfs/dbraw/zinc/04/74/24/899047424.db2.gz JGDAUEIZKZYWBX-DZGCQCFKSA-N 1 0 386.521 3.538 20 30 GHEDRO CSC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000331892824 899247371 /nfs/dbraw/zinc/24/73/71/899247371.db2.gz DYTAXCFVBUICGE-CQSZACIVSA-N 1 0 377.579 3.902 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1Cl ZINC000570302913 899251392 /nfs/dbraw/zinc/25/13/92/899251392.db2.gz XIAINBIWPGMHDP-QFIPXVFZSA-N 1 0 379.891 3.950 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000823790331 899262738 /nfs/dbraw/zinc/26/27/38/899262738.db2.gz YFAZJJOMDCWRAQ-IBGZPJMESA-N 1 0 397.563 3.862 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4scnc4c3)CC2)c1 ZINC000824114966 899416011 /nfs/dbraw/zinc/41/60/11/899416011.db2.gz CQGNLOLCYQYJMF-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000119308451 899584936 /nfs/dbraw/zinc/58/49/36/899584936.db2.gz QPZJFCYBURTTGW-UHFFFAOYSA-N 1 0 389.503 3.955 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1C ZINC001136913794 899736778 /nfs/dbraw/zinc/73/67/78/899736778.db2.gz ZXSFCLLIIUJYAV-UHFFFAOYSA-N 1 0 379.504 3.795 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1C ZINC001136921173 899760654 /nfs/dbraw/zinc/76/06/54/899760654.db2.gz UBPSSKSYRPQGRE-FQEVSTJZSA-N 1 0 395.503 3.652 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Sc3ccc(F)cc3)cc1)C2 ZINC000884317865 899779098 /nfs/dbraw/zinc/77/90/98/899779098.db2.gz FVXNAUXNWWSYBD-PSCUFVCCSA-N 1 0 395.503 3.732 20 30 GHEDRO CCOc1ccc(-c2nc(CO[NH+]=C(N)c3ccc(N(C)C)cc3)co2)cc1 ZINC000772885641 899821658 /nfs/dbraw/zinc/82/16/58/899821658.db2.gz UMTWUAQJCUQYKM-UHFFFAOYSA-N 1 0 380.448 3.643 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000120500456 899829655 /nfs/dbraw/zinc/82/96/55/899829655.db2.gz ZBQYIQXRPUUGAP-QGZVFWFLSA-N 1 0 387.549 3.912 20 30 GHEDRO C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884418078 900070451 /nfs/dbraw/zinc/07/04/51/900070451.db2.gz YHWNKWDFGKNCIH-ZMJXPABLSA-N 1 0 387.527 3.786 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2Br)CC(C)C)CC1 ZINC000134973263 900156917 /nfs/dbraw/zinc/15/69/17/900156917.db2.gz HFQCFDQYNBKBLS-UHFFFAOYSA-N 1 0 391.353 3.779 20 30 GHEDRO CC[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000135299878 900219013 /nfs/dbraw/zinc/21/90/13/900219013.db2.gz IXZCZTZHLBMXNF-LJQANCHMSA-N 1 0 396.466 3.686 20 30 GHEDRO CC(C)(C#N)CCCCn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000572618072 900235189 /nfs/dbraw/zinc/23/51/89/900235189.db2.gz QENUWVFPVMCJOE-UHFFFAOYSA-N 1 0 388.515 3.998 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282926270 900283241 /nfs/dbraw/zinc/28/32/41/900283241.db2.gz FJBFWHWADSUCPP-GFCCVEGCSA-N 1 0 384.402 3.651 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4c(Cl)cccc4C#N)CC[N@@H+]3C2)cc1 ZINC001143723277 900442651 /nfs/dbraw/zinc/44/26/51/900442651.db2.gz OUWPTGNEOQFJSK-UYAOXDASSA-N 1 0 381.907 3.858 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844372895 900740638 /nfs/dbraw/zinc/74/06/38/900740638.db2.gz AQKAIAFWPUBDQB-NRFANRHFSA-N 1 0 383.879 3.524 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1c(F)ccc(OC)c1F)[C@@H]2CC ZINC001143973429 900852370 /nfs/dbraw/zinc/85/23/70/900852370.db2.gz MOZXJIJRTSTPGR-NQIIRXRSSA-N 1 0 378.463 3.895 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC000844465057 900897808 /nfs/dbraw/zinc/89/78/08/900897808.db2.gz YIJLAZHTGAKVBG-NJDAHSKKSA-N 1 0 399.535 3.985 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3C)CC2)cc1 ZINC000058453223 900913877 /nfs/dbraw/zinc/91/38/77/900913877.db2.gz LWZFUXNFSULBQA-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO C#CCC1([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CCOCC1 ZINC000886379187 900967395 /nfs/dbraw/zinc/96/73/95/900967395.db2.gz RCRZKDSCPDYIEX-UHFFFAOYSA-N 1 0 390.549 3.703 20 30 GHEDRO C=CCC(C)(C)C(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001144075721 901038661 /nfs/dbraw/zinc/03/86/61/901038661.db2.gz ULROGXZTYBLAKO-JOCHJYFZSA-N 1 0 380.532 3.768 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000068707462 901094361 /nfs/dbraw/zinc/09/43/61/901094361.db2.gz VFOCDVIWQONTBW-KRWDZBQOSA-N 1 0 378.476 3.844 20 30 GHEDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000575034250 901097313 /nfs/dbraw/zinc/09/73/13/901097313.db2.gz CJDODBMBDWBSHM-NRFANRHFSA-N 1 0 389.565 3.702 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000047010822 901236210 /nfs/dbraw/zinc/23/62/10/901236210.db2.gz XVQBUDJDBGKJTO-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@@H](COC(=O)c2cccc(CC#N)c2)O1 ZINC000778900451 901264504 /nfs/dbraw/zinc/26/45/04/901264504.db2.gz YKAHDUHMEMRSMX-NRFANRHFSA-N 1 0 378.472 3.589 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(Cc3cc(C)cc(Br)c3)C2)CC1 ZINC001144212919 901267280 /nfs/dbraw/zinc/26/72/80/901267280.db2.gz QSJJUQKQNPHFEF-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1C#N ZINC000886827299 901290088 /nfs/dbraw/zinc/29/00/88/901290088.db2.gz IZSPPJTWAWGUJA-FXAWDEMLSA-N 1 0 384.524 3.531 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080165751 901304085 /nfs/dbraw/zinc/30/40/85/901304085.db2.gz NMGUFHPRXVLNIV-GCJKJVERSA-N 1 0 376.504 3.753 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OC ZINC000092145169 901475389 /nfs/dbraw/zinc/47/53/89/901475389.db2.gz MRMUQSJMLSFWRM-UHFFFAOYSA-N 1 0 386.536 3.731 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000575988832 901558998 /nfs/dbraw/zinc/55/89/98/901558998.db2.gz GCZOGLMJAVNPHB-BHIYHBOVSA-N 1 0 375.900 3.556 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000576005725 901580373 /nfs/dbraw/zinc/58/03/73/901580373.db2.gz AXNJAZUQKMPJCW-UHFFFAOYSA-N 1 0 392.551 3.704 20 30 GHEDRO C/C(=C\c1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845001557 901629550 /nfs/dbraw/zinc/62/95/50/901629550.db2.gz CFTRKWBJYPUMGB-GHRIWEEISA-N 1 0 377.463 3.881 20 30 GHEDRO COc1ccccc1/C(C)=C\C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845004313 901635847 /nfs/dbraw/zinc/63/58/47/901635847.db2.gz ZECXEGZDGNUDLP-JXAWBTAJSA-N 1 0 389.499 3.751 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000290193850 914566965 /nfs/dbraw/zinc/56/69/65/914566965.db2.gz OYOLMPVMBLITBM-HSZRJFAPSA-N 1 0 381.495 3.603 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1C#N ZINC000122709305 901826951 /nfs/dbraw/zinc/82/69/51/901826951.db2.gz UHAZMQIIMHPJQP-HXOBKFHXSA-N 1 0 380.488 3.982 20 30 GHEDRO N#Cc1ccc(CCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000576319777 901941721 /nfs/dbraw/zinc/94/17/21/901941721.db2.gz CUOKNTOBOLYUHO-HSZRJFAPSA-N 1 0 375.516 3.909 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386754 901975690 /nfs/dbraw/zinc/97/56/90/901975690.db2.gz MUSOMSZRAIJXID-RBUKOAKNSA-N 1 0 385.426 3.985 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000576635605 902148437 /nfs/dbraw/zinc/14/84/37/902148437.db2.gz NUPPPADODPJXGO-IBGZPJMESA-N 1 0 382.552 3.787 20 30 GHEDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000263807988 902555793 /nfs/dbraw/zinc/55/57/93/902555793.db2.gz QAGQRQCCRRPHEP-QGZVFWFLSA-N 1 0 383.492 3.971 20 30 GHEDRO C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@H](O)c1cccc(C#N)c1 ZINC000846005269 902586098 /nfs/dbraw/zinc/58/60/98/902586098.db2.gz BABSWQSXTUYIMK-IBGZPJMESA-N 1 0 399.288 3.762 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1OC ZINC000577240891 902609350 /nfs/dbraw/zinc/60/93/50/902609350.db2.gz JCHPDEXYWVKCGJ-XLIONFOSSA-N 1 0 380.488 3.653 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000047915487 902628023 /nfs/dbraw/zinc/62/80/23/902628023.db2.gz FVBAAUAHGZELMM-IBGZPJMESA-N 1 0 382.533 3.892 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@@H+]([C@H](C)Cc4cccc(C#N)c4)C3)CC2=O)cc1 ZINC001171208795 902632269 /nfs/dbraw/zinc/63/22/69/902632269.db2.gz DZYHQRUAINRVLY-KOSHJBKYSA-N 1 0 389.499 3.627 20 30 GHEDRO CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171208817 902634162 /nfs/dbraw/zinc/63/41/62/902634162.db2.gz FGDOQUMPMKDAGE-QGZVFWFLSA-N 1 0 378.520 3.691 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001171211518 902649773 /nfs/dbraw/zinc/64/97/73/902649773.db2.gz FAASIUDKICDSAY-NWVWQQAFSA-N 1 0 375.516 3.996 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001171217367 902756415 /nfs/dbraw/zinc/75/64/15/902756415.db2.gz OUPHDEQXJQVDQP-XMSQKQJNSA-N 1 0 379.548 3.898 20 30 GHEDRO COc1ccccc1[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000264048876 902806516 /nfs/dbraw/zinc/80/65/16/902806516.db2.gz APTXBYXETPSLSO-IBGZPJMESA-N 1 0 391.515 3.795 20 30 GHEDRO C=CC1CC[NH+]([C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000600679956 902816805 /nfs/dbraw/zinc/81/68/05/902816805.db2.gz LWGXOPICNNDUNC-QFIPXVFZSA-N 1 0 378.472 3.671 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000600723600 902844798 /nfs/dbraw/zinc/84/47/98/902844798.db2.gz XUCWFNICDWLPEQ-HSZRJFAPSA-N 1 0 378.516 3.501 20 30 GHEDRO C[C@H](CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000600727893 902852000 /nfs/dbraw/zinc/85/20/00/902852000.db2.gz LIKDLVHUOVQGMM-CRAIPNDOSA-N 1 0 384.442 3.860 20 30 GHEDRO N#Cc1ccc(SCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000264124745 902858642 /nfs/dbraw/zinc/85/86/42/902858642.db2.gz KEZJKDOOQAXYQX-UHFFFAOYSA-N 1 0 385.558 3.740 20 30 GHEDRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000600736366 902859325 /nfs/dbraw/zinc/85/93/25/902859325.db2.gz PPUXJJJDZIDSQN-GTPZEUEISA-N 1 0 384.520 3.788 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001171221409 902889553 /nfs/dbraw/zinc/88/95/53/902889553.db2.gz MQIZLNWWJTXYOX-HJPURHCSSA-N 1 0 395.453 3.896 20 30 GHEDRO CC(C)(C)C[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001171231095 903039511 /nfs/dbraw/zinc/03/95/11/903039511.db2.gz PEDZIDCFEOLJKH-KRWDZBQOSA-N 1 0 380.454 3.931 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NCCSC)cc1 ZINC000131287441 903077737 /nfs/dbraw/zinc/07/77/37/903077737.db2.gz GQIQSRVEHUJVEQ-UHFFFAOYSA-O 1 0 395.520 3.706 20 30 GHEDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000264605829 903237929 /nfs/dbraw/zinc/23/79/29/903237929.db2.gz GZANRVYDYQFDKZ-KRWDZBQOSA-N 1 0 388.581 3.826 20 30 GHEDRO C[C@H](NCc1cn(C[C@H]2CCOC2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000601114305 903348712 /nfs/dbraw/zinc/34/87/12/903348712.db2.gz WUHUEGBPGRUJLR-PKOBYXMFSA-N 1 0 387.487 3.704 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000577993546 903421942 /nfs/dbraw/zinc/42/19/42/903421942.db2.gz DPMBDJDJHDYQOA-OAQYLSRUSA-N 1 0 391.515 3.897 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccsc1 ZINC000601186400 903442700 /nfs/dbraw/zinc/44/27/00/903442700.db2.gz NYADBEVBHQHZBV-NRFANRHFSA-N 1 0 390.512 3.967 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccc(CC#N)cc3)cc[nH+]2)CC1 ZINC001212837080 903498728 /nfs/dbraw/zinc/49/87/28/903498728.db2.gz TUBWHYDOESDGEY-UHFFFAOYSA-N 1 0 393.491 3.948 20 30 GHEDRO N#Cc1c(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cccc1-n1cccn1 ZINC000578083169 903504648 /nfs/dbraw/zinc/50/46/48/903504648.db2.gz NVHLHHVQLQNJHV-UHFFFAOYSA-N 1 0 389.425 3.961 20 30 GHEDRO N#CC1(Nc2ccc(N3CSCC3=O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171276427 903514650 /nfs/dbraw/zinc/51/46/50/903514650.db2.gz BDDWFYSQUFLJNX-UHFFFAOYSA-N 1 0 392.528 3.694 20 30 GHEDRO N#CC1(Nc2cnc(OCC3CCC3)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC001171277850 903558832 /nfs/dbraw/zinc/55/88/32/903558832.db2.gz SLMHRFARWYXEQQ-UHFFFAOYSA-N 1 0 377.492 3.626 20 30 GHEDRO CN(C)Cc1c(F)cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC001171282646 903583063 /nfs/dbraw/zinc/58/30/63/903583063.db2.gz WNHXZZWFULMGLV-UHFFFAOYSA-N 1 0 384.474 3.997 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779058923 903653179 /nfs/dbraw/zinc/65/31/79/903653179.db2.gz VYDPLUXHALQVOA-MJGOQNOKSA-N 1 0 395.478 3.870 20 30 GHEDRO C=C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000136972864 903828830 /nfs/dbraw/zinc/82/88/30/903828830.db2.gz VPDRNMQPDJBONS-LJQANCHMSA-N 1 0 378.516 3.619 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)NC(C1CC1)C1CC1)[n+]1ccccc1 ZINC000265392398 903860347 /nfs/dbraw/zinc/86/03/47/903860347.db2.gz VBVGYGNSCLFZIM-UHFFFAOYSA-O 1 0 381.521 3.700 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000772984518 903863474 /nfs/dbraw/zinc/86/34/74/903863474.db2.gz OEPDDQHXYRZREG-HNAYVOBHSA-N 1 0 396.447 3.783 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000772987525 904003623 /nfs/dbraw/zinc/00/36/23/904003623.db2.gz JMGWYGTXMPAAIG-HNNXBMFYSA-N 1 0 386.879 3.868 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N ZINC000578682691 904048361 /nfs/dbraw/zinc/04/83/61/904048361.db2.gz UOLPAYYPUDAABA-GKCIPKSASA-N 1 0 382.895 3.574 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1 ZINC001148463222 904078417 /nfs/dbraw/zinc/07/84/17/904078417.db2.gz BPLCMSAGDYSJKG-UHFFFAOYSA-N 1 0 383.467 3.785 20 30 GHEDRO C=CCOc1ccc(C(=O)N(c2cccc(C)c2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001148466826 904078913 /nfs/dbraw/zinc/07/89/13/904078913.db2.gz XWMLVDPVYXQHJM-URXFXBBRSA-N 1 0 392.499 3.728 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)c2)c1 ZINC000048745253 904094316 /nfs/dbraw/zinc/09/43/16/904094316.db2.gz MSQTWAOHQDASSZ-QFIPXVFZSA-N 1 0 399.498 3.686 20 30 GHEDRO N#CC(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)(c1ccccc1)c1ccccc1 ZINC000578835371 904161972 /nfs/dbraw/zinc/16/19/72/904161972.db2.gz OJJVNQGCCFHDPR-TUACAJSNSA-N 1 0 390.527 3.748 20 30 GHEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000578965152 904263198 /nfs/dbraw/zinc/26/31/98/904263198.db2.gz JXKHWPIVSGDOLY-NRFANRHFSA-N 1 0 392.503 3.890 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2C2CC2)cc1 ZINC000579366940 904545945 /nfs/dbraw/zinc/54/59/45/904545945.db2.gz ZJOGBEAKHFZBCQ-GHTZIAJQSA-N 1 0 388.519 3.605 20 30 GHEDRO [NH2+]=C(NCc1ccc2c(c1)OCCCO2)Nc1ccc(OC(F)(F)F)cc1 ZINC000104181641 904550546 /nfs/dbraw/zinc/55/05/46/904550546.db2.gz ISCUYZFEMSNQMX-UHFFFAOYSA-N 1 0 381.354 3.673 20 30 GHEDRO COc1cc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)ccc1C#N ZINC000579412145 904577645 /nfs/dbraw/zinc/57/76/45/904577645.db2.gz JGNKDGMBKWGXKN-UHFFFAOYSA-N 1 0 397.276 3.805 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171475984 904750278 /nfs/dbraw/zinc/75/02/78/904750278.db2.gz IPAMWOUOZMROQS-AVRDEDQJSA-N 1 0 390.474 3.933 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171539378 904765454 /nfs/dbraw/zinc/76/54/54/904765454.db2.gz MMFDHRHWDIMLCB-KSFYIVLOSA-N 1 0 392.465 3.994 20 30 GHEDRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC001171568304 904836092 /nfs/dbraw/zinc/83/60/92/904836092.db2.gz YGPFHBNPNVSFML-UHFFFAOYSA-N 1 0 397.500 3.712 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](NC(=[NH2+])c2ccc(F)cn2)C[C@@H]1C(C)(C)C ZINC001171582752 904851305 /nfs/dbraw/zinc/85/13/05/904851305.db2.gz UIBYUEZENPGXFE-GOEBONIOSA-N 1 0 378.492 3.740 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)cc1OC ZINC001171609291 904870922 /nfs/dbraw/zinc/87/09/22/904870922.db2.gz QWKINMFOGJGFPY-FQEVSTJZSA-N 1 0 386.536 3.987 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000188092393 904871671 /nfs/dbraw/zinc/87/16/71/904871671.db2.gz SOBPTIDFOHSITN-UHFFFAOYSA-N 1 0 377.488 3.527 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171728485 904955216 /nfs/dbraw/zinc/95/52/16/904955216.db2.gz OHAKKKBLMLZHFR-VJBMBRPKSA-N 1 0 378.516 3.580 20 30 GHEDRO N#Cc1ccccc1OCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877355 905081669 /nfs/dbraw/zinc/08/16/69/905081669.db2.gz NQRQMEBFGJRWPY-NRFANRHFSA-N 1 0 377.488 3.612 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCCN(C(=O)c3ccccc3)CC1)C2 ZINC001171892741 905126662 /nfs/dbraw/zinc/12/66/62/905126662.db2.gz DKMMVRBUFXASAI-FIXSFTCYSA-N 1 0 398.547 3.507 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000173885887 905155916 /nfs/dbraw/zinc/15/59/16/905155916.db2.gz HDMNXDLUZSIKDN-ROUUACIJSA-N 1 0 392.503 3.939 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc(OC)c1O ZINC000779189828 905240155 /nfs/dbraw/zinc/24/01/55/905240155.db2.gz CGVOFQQDAFLIKZ-UHFFFAOYSA-N 1 0 389.883 3.616 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)o1 ZINC000174283267 905245518 /nfs/dbraw/zinc/24/55/18/905245518.db2.gz LYKVRMZHVQXWEZ-UHFFFAOYSA-N 1 0 375.266 3.752 20 30 GHEDRO CC1(C)C[C@H](N2CCN(c3cc(C#N)ccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988745 905253796 /nfs/dbraw/zinc/25/37/96/905253796.db2.gz UQKJEVJFPKWADL-JOCHJYFZSA-N 1 0 389.547 3.518 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000174524063 905289126 /nfs/dbraw/zinc/28/91/26/905289126.db2.gz NIMQAZAIYWKMSA-SFHVURJKSA-N 1 0 393.487 3.678 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)cc1C#N ZINC001203339130 905346267 /nfs/dbraw/zinc/34/62/67/905346267.db2.gz LTWWBFRZNGSODK-PIKADFDJSA-N 1 0 385.508 3.833 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000801576136 921146357 /nfs/dbraw/zinc/14/63/57/921146357.db2.gz SXAWJLFSDQVIIA-AEFFLSMTSA-N 1 0 395.528 3.860 20 30 GHEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(COc3ccccc3C#N)o1)C2 ZINC000175047435 905433961 /nfs/dbraw/zinc/43/39/61/905433961.db2.gz DNDULEXAFLZIRR-RBUKOAKNSA-N 1 0 393.487 3.818 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1 ZINC000175122816 905455030 /nfs/dbraw/zinc/45/50/30/905455030.db2.gz YTWYIZAIPGFJNZ-UHFFFAOYSA-N 1 0 384.455 3.572 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001172305216 905459348 /nfs/dbraw/zinc/45/93/48/905459348.db2.gz QYPUQUXCWOGLNA-MHECFPHRSA-N 1 0 391.490 3.753 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001172305215 905459618 /nfs/dbraw/zinc/45/96/18/905459618.db2.gz QYPUQUXCWOGLNA-KOSHJBKYSA-N 1 0 391.490 3.753 20 30 GHEDRO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)Cc2cnn(CC3CC3)c21 ZINC001172308452 905465621 /nfs/dbraw/zinc/46/56/21/905465621.db2.gz NDJPLGMBNQJYME-VGOFRKELSA-N 1 0 378.520 3.732 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001172309912 905467097 /nfs/dbraw/zinc/46/70/97/905467097.db2.gz WCOPBDBPVSDSQV-UTKZUKDTSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(I)c1 ZINC001172295910 905482082 /nfs/dbraw/zinc/48/20/82/905482082.db2.gz VSKBPDFOCTVTKO-ZDUSSCGKSA-N 1 0 376.241 3.884 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001172292600 905482398 /nfs/dbraw/zinc/48/23/98/905482398.db2.gz PWQYEJLCGJFNMS-YOEHRIQHSA-N 1 0 379.451 3.724 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001172355683 905526690 /nfs/dbraw/zinc/52/66/90/905526690.db2.gz QTRYRLCSTJQMCI-HXUWFJFHSA-N 1 0 385.556 3.833 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1Cc2c(-c3cnn(C)c3)nnn2C[C@H]1COC ZINC001172359604 905528633 /nfs/dbraw/zinc/52/86/33/905528633.db2.gz YXDCEVAMIQOHGM-OALUTQOASA-N 1 0 388.560 3.648 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(F)c(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000175382279 905551161 /nfs/dbraw/zinc/55/11/61/905551161.db2.gz BBFCVDUSTKPXHQ-OAHLLOKOSA-O 1 0 388.532 3.815 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(F)c(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000175382299 905551730 /nfs/dbraw/zinc/55/17/30/905551730.db2.gz BBFCVDUSTKPXHQ-HNNXBMFYSA-O 1 0 388.532 3.815 20 30 GHEDRO CCCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001172505764 905602278 /nfs/dbraw/zinc/60/22/78/905602278.db2.gz UNGRARSCFSKOHG-DOIPELPJSA-N 1 0 380.573 3.606 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+]([C@H]3CCN(Cc4ccccc4)C(=O)C3)C2)c1 ZINC001172682745 905735439 /nfs/dbraw/zinc/73/54/39/905735439.db2.gz RCAUFDBTKQODSS-GMAHTHKFSA-N 1 0 389.499 3.593 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCC(=O)Nc2sccc2C#N)C1 ZINC000365803928 921175980 /nfs/dbraw/zinc/17/59/80/921175980.db2.gz YGCYJCVRTVRGJT-SPUZQDLCSA-N 1 0 375.538 3.600 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@H](C)CCC(=O)OC(C)C)cc(C#N)c21 ZINC001172761577 905804642 /nfs/dbraw/zinc/80/46/42/905804642.db2.gz SEXYTHFLZVOXLI-HZPDHXFCSA-N 1 0 383.492 3.814 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000190169620 905816934 /nfs/dbraw/zinc/81/69/34/905816934.db2.gz ORJBYRSAPOHRPJ-QGZVFWFLSA-N 1 0 396.491 3.582 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCC[C@@H](C(=O)OC)CC3)CC2)C1 ZINC001172781281 905821962 /nfs/dbraw/zinc/82/19/62/905821962.db2.gz IABZVPORZODSFZ-RTBURBONSA-N 1 0 392.540 3.609 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000176935830 905991678 /nfs/dbraw/zinc/99/16/78/905991678.db2.gz LFTXJTLOWKJWNV-QZTJIDSGSA-N 1 0 384.524 3.610 20 30 GHEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1ccc(C#N)s1 ZINC000176969311 906002231 /nfs/dbraw/zinc/00/22/31/906002231.db2.gz GMEJISCPONSIJT-UHFFFAOYSA-N 1 0 378.295 3.809 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)C[C@H]1C#N ZINC001172967224 906028054 /nfs/dbraw/zinc/02/80/54/906028054.db2.gz UWWRLNXWGKYSEP-GJZGRUSLSA-N 1 0 399.413 3.966 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2cc(CC[NH3+])c3ccc(F)cc32)C[C@H]1C#N ZINC001172968134 906029008 /nfs/dbraw/zinc/02/90/08/906029008.db2.gz JARMDHOTZFOZGD-SJORKVTESA-N 1 0 386.471 3.746 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)C[C@H]1C#N ZINC001172968889 906031948 /nfs/dbraw/zinc/03/19/48/906031948.db2.gz QLLSGJSSXXHGTD-OLZOCXBDSA-N 1 0 385.842 3.999 20 30 GHEDRO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c2ccccc21 ZINC001172972871 906036886 /nfs/dbraw/zinc/03/68/86/906036886.db2.gz CNSPSUONVXSZHZ-MSOLQXFVSA-N 1 0 382.508 3.602 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C[C@H]1C#N ZINC001172981219 906047461 /nfs/dbraw/zinc/04/74/61/906047461.db2.gz KPDIGNZTDNNNRN-HOTGVXAUSA-N 1 0 381.879 3.903 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C[C@H]1C#N ZINC001172983502 906049355 /nfs/dbraw/zinc/04/93/55/906049355.db2.gz JDBGAHVEQXRYJW-YSTOQKLRSA-N 1 0 385.508 3.788 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(CC2)OCc2ccccc23)C[C@H]1C#N ZINC001172982876 906050165 /nfs/dbraw/zinc/05/01/65/906050165.db2.gz ASFHPSSJHYASLR-MOPGFXCFSA-N 1 0 397.519 3.800 20 30 GHEDRO COc1cccc([C@@H]2CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)c1 ZINC001172990914 906101447 /nfs/dbraw/zinc/10/14/47/906101447.db2.gz SHTDQDPAWPGQSR-QRVBRYPASA-N 1 0 385.508 3.776 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCc3ncsc3C1)CC2 ZINC001173128849 906210745 /nfs/dbraw/zinc/21/07/45/906210745.db2.gz GOHCSCJYKREGKX-MRXNPFEDSA-N 1 0 375.538 3.501 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 ZINC001173309046 906362480 /nfs/dbraw/zinc/36/24/80/906362480.db2.gz RBBXSJXQWQLIRP-KLAILNCOSA-N 1 0 388.499 3.982 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC1 ZINC001173320682 906371089 /nfs/dbraw/zinc/37/10/89/906371089.db2.gz RJYSZMNIXHIGME-YHBJDUNFSA-N 1 0 386.536 3.845 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC001173322870 906371832 /nfs/dbraw/zinc/37/18/32/906371832.db2.gz OGZWTJKQVFGVKB-HDYDNRTBSA-N 1 0 377.550 3.783 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](C[NH2+]C3CCC(CC#N)CC3)O2)CC1 ZINC001173325578 906373365 /nfs/dbraw/zinc/37/33/65/906373365.db2.gz KUSJEKPITXYEPK-ABHNRTSZSA-N 1 0 377.529 3.607 20 30 GHEDRO C=CCOC1CCC([N@H+](CCCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173325907 906373785 /nfs/dbraw/zinc/37/37/85/906373785.db2.gz SHUOWMLNHUHHPS-GPJFCIFZSA-N 1 0 396.572 3.848 20 30 GHEDRO N#CCC1CCC(N2CCn3c(-c4ccccc4)cnc3C23CC[NH2+]CC3)CC1 ZINC001173332800 906375123 /nfs/dbraw/zinc/37/51/23/906375123.db2.gz GIUBGGRIJZGWMI-UHFFFAOYSA-N 1 0 389.547 3.917 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CC1 ZINC001173333097 906377639 /nfs/dbraw/zinc/37/76/39/906377639.db2.gz KQSGPSOXSVMPRI-RRTYHCDHSA-N 1 0 381.520 3.512 20 30 GHEDRO COCCC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173338860 906381512 /nfs/dbraw/zinc/38/15/12/906381512.db2.gz ANJFTBRWZOGITD-CTWPCTMYSA-N 1 0 379.545 3.807 20 30 GHEDRO C=CCOC1CCC([NH2+]C2CCN(Cc3cccc(C(=O)OC)c3)CC2)CC1 ZINC001173316760 906389171 /nfs/dbraw/zinc/38/91/71/906389171.db2.gz MOZYKQUZBQWGHI-UHFFFAOYSA-N 1 0 386.536 3.541 20 30 GHEDRO C=CCOC1CCC(NC2=C(C(=O)OCC)C[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001173317845 906389515 /nfs/dbraw/zinc/38/95/15/906389515.db2.gz KKYNXGCCJRVGEF-UHFFFAOYSA-N 1 0 398.547 3.813 20 30 GHEDRO C#CC1([NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCCC1 ZINC001173393240 906419872 /nfs/dbraw/zinc/41/98/72/906419872.db2.gz IBHJKVCQDJPJEC-UHFFFAOYSA-N 1 0 389.337 3.979 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1F ZINC001173425510 906461571 /nfs/dbraw/zinc/46/15/71/906461571.db2.gz VXOZCGOVJXKMBV-HNNXBMFYSA-N 1 0 381.451 3.661 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(-c4ccccc4)on3)CC2)cc1 ZINC001173426335 906461789 /nfs/dbraw/zinc/46/17/89/906461789.db2.gz VTNZEOGZZPTEPB-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]C3(c4cccc(F)c4)CCC3)CC2)cc1 ZINC001173428009 906464913 /nfs/dbraw/zinc/46/49/13/906464913.db2.gz JYGLANGBQFGYGN-UHFFFAOYSA-N 1 0 377.463 3.971 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCOc4c(F)cc(F)cc43)CC2)cc1 ZINC001173429839 906466485 /nfs/dbraw/zinc/46/64/85/906466485.db2.gz XJZPFNITPFVYML-HXUWFJFHSA-N 1 0 397.425 3.554 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433761 906470054 /nfs/dbraw/zinc/47/00/54/906470054.db2.gz VVFXVXSDJRQEOW-XMMPIXPASA-N 1 0 383.495 3.786 20 30 GHEDRO Cc1cccc(Cn2c(=O)ccc3c2CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C3)n1 ZINC001173587150 906545721 /nfs/dbraw/zinc/54/57/21/906545721.db2.gz OEZRAPVJPLLPOO-VIHQBZHPSA-N 1 0 390.531 3.519 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)CCO2 ZINC001173589035 906547043 /nfs/dbraw/zinc/54/70/43/906547043.db2.gz RMMPISWBSKPAMS-WBTXTPOCSA-N 1 0 391.556 3.997 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(N2CC[C@@H]([NH2+]C3CCC(C)(C#N)CC3)C2)CC1 ZINC001173591853 906547052 /nfs/dbraw/zinc/54/70/52/906547052.db2.gz UVKGKUSWNDBCFP-WUZYXKQASA-N 1 0 390.572 3.522 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)CC1 ZINC001173594921 906549196 /nfs/dbraw/zinc/54/91/96/906549196.db2.gz OFHUANNGEAJPCN-FUHYEJFZSA-N 1 0 399.510 3.965 20 30 GHEDRO Cc1nc(COC[C@H]2Cn3nccc3C[N@@H+](C3CCC(C)(C#N)CC3)C2)cs1 ZINC001173594753 906549407 /nfs/dbraw/zinc/54/94/07/906549407.db2.gz LJWMXGQWSQDONG-FQVISZRSSA-N 1 0 399.564 3.769 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](C3CCC(C)(C#N)CC3)CC2)Oc2ccccc21 ZINC001173596203 906550562 /nfs/dbraw/zinc/55/05/62/906550562.db2.gz NQALHKKJPNZDMT-MVBMGLOESA-N 1 0 395.547 3.996 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)CC2 ZINC001173605398 906558543 /nfs/dbraw/zinc/55/85/43/906558543.db2.gz DUORKTYLYXRAFT-HMXGKDEJSA-N 1 0 395.547 3.624 20 30 GHEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C(=O)N(C)C ZINC000180002520 906655752 /nfs/dbraw/zinc/65/57/52/906655752.db2.gz LXQFSZUCMUIAAE-UHFFFAOYSA-N 1 0 376.504 3.645 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180052181 906677477 /nfs/dbraw/zinc/67/74/77/906677477.db2.gz XTJRBDPTSMXZOU-QUCCMNQESA-N 1 0 392.503 3.963 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)s1 ZINC001173778138 906703720 /nfs/dbraw/zinc/70/37/20/906703720.db2.gz YOZYAKWIXNTYFS-UHFFFAOYSA-N 1 0 377.872 3.807 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cccc(F)c3Br)CC2)C1=O ZINC001276008414 921275916 /nfs/dbraw/zinc/27/59/16/921275916.db2.gz TWABEKFWQYNMPR-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO N#Cc1c(F)c(I)ccc1Nc1ccc2[nH+]ccn2c1 ZINC001174279767 906937745 /nfs/dbraw/zinc/93/77/45/906937745.db2.gz GXGUWGYVOQZCKW-UHFFFAOYSA-N 1 0 378.148 3.693 20 30 GHEDRO N#CC1(c2ccc(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2)CC1 ZINC000181494757 907012832 /nfs/dbraw/zinc/01/28/32/907012832.db2.gz WJMAEQLQGKDHFR-QGZVFWFLSA-N 1 0 379.529 3.945 20 30 GHEDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181766771 907073837 /nfs/dbraw/zinc/07/38/37/907073837.db2.gz SZOFMSMFZFHOPH-DEOSSOPVSA-N 1 0 393.531 3.633 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1C#N ZINC000191585455 907092391 /nfs/dbraw/zinc/09/23/91/907092391.db2.gz XOUTYVBVITZCSN-UHFFFAOYSA-N 1 0 377.319 3.958 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000192058532 907379665 /nfs/dbraw/zinc/37/96/65/907379665.db2.gz UGZJFPDQMFBUMO-SJLPKXTDSA-N 1 0 389.908 3.948 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(F)c(C(F)(F)F)c3)C2=O)cc1 ZINC000192243566 907558185 /nfs/dbraw/zinc/55/81/85/907558185.db2.gz HMNKMMUZXHXSQM-GOSISDBHSA-N 1 0 391.368 3.607 20 30 GHEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000184475752 907589754 /nfs/dbraw/zinc/58/97/54/907589754.db2.gz NZKKNFJHGZXAAM-SFHVURJKSA-N 1 0 380.492 3.512 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)s2)cc1 ZINC000184788480 907658193 /nfs/dbraw/zinc/65/81/93/907658193.db2.gz HKFZTVDZSWLRDJ-ASSNKEHSSA-N 1 0 398.532 3.586 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184793967 907659578 /nfs/dbraw/zinc/65/95/78/907659578.db2.gz RXJBMKVMYXDQJB-AWEZNQCLSA-N 1 0 386.521 3.540 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2C#N)cc1 ZINC001175809731 907766145 /nfs/dbraw/zinc/76/61/45/907766145.db2.gz HBHYJQFEOIUXMF-UHFFFAOYSA-N 1 0 376.382 3.612 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC001176038527 907896923 /nfs/dbraw/zinc/89/69/23/907896923.db2.gz QDORFFSYTZQLQG-GNNUASRNSA-N 1 0 389.499 3.657 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cccc4cccc2c43)c1 ZINC001176334336 908038651 /nfs/dbraw/zinc/03/86/51/908038651.db2.gz JADAJNDKMDHDQB-NRFANRHFSA-N 1 0 376.481 3.762 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccccc1CC#N ZINC000777431832 908062211 /nfs/dbraw/zinc/06/22/11/908062211.db2.gz WLSPFDKETSJGKV-JOCHJYFZSA-N 1 0 391.515 3.514 20 30 GHEDRO C#CC[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCCc2ccccc21 ZINC001176453786 908116692 /nfs/dbraw/zinc/11/66/92/908116692.db2.gz XYSARZQFLFZLQU-CTNGQTDRSA-N 1 0 384.520 3.635 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)CC1 ZINC000779703051 908194282 /nfs/dbraw/zinc/19/42/82/908194282.db2.gz JPERAXHJVKPAGI-FQEVSTJZSA-N 1 0 392.503 3.526 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000188666849 908238363 /nfs/dbraw/zinc/23/83/63/908238363.db2.gz LSVXPQUSAVTKAH-LJQANCHMSA-N 1 0 399.539 3.884 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001176932994 908307296 /nfs/dbraw/zinc/30/72/96/908307296.db2.gz UFWUZHRZUDFMSO-PGRDOPGGSA-N 1 0 391.556 3.687 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000191490063 908631136 /nfs/dbraw/zinc/63/11/36/908631136.db2.gz STPHRYCPOVZGHB-HXUWFJFHSA-N 1 0 384.568 3.782 20 30 GHEDRO CN(Cc1ccc(C#N)o1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191687573 908659080 /nfs/dbraw/zinc/65/90/80/908659080.db2.gz NBAPBFQKMOWKGC-UHFFFAOYSA-N 1 0 393.281 3.695 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634378797 908696537 /nfs/dbraw/zinc/69/65/37/908696537.db2.gz VMIBVAAXPRFKSH-MOPGFXCFSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1OC ZINC000801733501 921434605 /nfs/dbraw/zinc/43/46/05/921434605.db2.gz LXDYLUZQILYZJT-QGZVFWFLSA-N 1 0 392.293 3.846 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1ccccc1O2 ZINC000195005363 908980528 /nfs/dbraw/zinc/98/05/28/908980528.db2.gz CNJOQFHTPRKAAH-RQWLHQTBSA-N 1 0 387.483 3.676 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc4ccc(F)c(F)c4n3)C2=O)cc1 ZINC001178469813 909068221 /nfs/dbraw/zinc/06/82/21/909068221.db2.gz XFTGBAQCADZYQD-IBGZPJMESA-N 1 0 392.409 3.670 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)c(OCC=C)c(OCC)c1)[C@@H]1CCCO1 ZINC001178528521 909089684 /nfs/dbraw/zinc/08/96/84/909089684.db2.gz MJHGZTPYDNWMFP-IRXDYDNUSA-N 1 0 394.309 3.683 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1Cl ZINC001178823893 909248369 /nfs/dbraw/zinc/24/83/69/909248369.db2.gz NYBQLFMXBCHITP-HWWDLCQESA-N 1 0 378.900 3.860 20 30 GHEDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000780001515 909258998 /nfs/dbraw/zinc/25/89/98/909258998.db2.gz CLMIOFXBBRTHAY-QFIPXVFZSA-N 1 0 376.504 3.690 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000795332236 909932037 /nfs/dbraw/zinc/93/20/37/909932037.db2.gz JUTXJIQRQBWLJQ-PZJWPPBQSA-N 1 0 389.499 3.555 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Sc4ccccn4)o3)CC2)nc1 ZINC000366361349 921535325 /nfs/dbraw/zinc/53/53/25/921535325.db2.gz FOANXWKCMDMXGK-UHFFFAOYSA-N 1 0 391.500 3.851 20 30 GHEDRO CN(C(=O)Nc1ccc(C#N)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000269127383 910151811 /nfs/dbraw/zinc/15/18/11/910151811.db2.gz KSGGPEFEXBJMQU-UHFFFAOYSA-N 1 0 397.910 3.777 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c(F)c1 ZINC000269423419 910260449 /nfs/dbraw/zinc/26/04/49/910260449.db2.gz MRTSGYSWZPNIHH-UHFFFAOYSA-N 1 0 393.384 3.843 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1C#N ZINC000269853052 910368716 /nfs/dbraw/zinc/36/87/16/910368716.db2.gz ROFMAECJWNKMMT-UHFFFAOYSA-N 1 0 399.495 3.655 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001180820297 910387665 /nfs/dbraw/zinc/38/76/65/910387665.db2.gz MOCAIFUKDGRYMD-INIZCTEOSA-N 1 0 377.414 3.677 20 30 GHEDRO COc1cc(/C=C/C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)ccc1OCC#N ZINC000270355267 910530888 /nfs/dbraw/zinc/53/08/88/910530888.db2.gz DUQNCFFBPATLQZ-SOFGYWHQSA-N 1 0 379.460 3.620 20 30 GHEDRO C#CC[C@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000270451987 910572521 /nfs/dbraw/zinc/57/25/21/910572521.db2.gz SHDWQKQBSYBLDU-GCJKJVERSA-N 1 0 376.504 3.671 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(CC#N)cc1 ZINC000270457554 910573992 /nfs/dbraw/zinc/57/39/92/910573992.db2.gz FXDUBJRTGSKKKX-QFIPXVFZSA-N 1 0 399.498 3.957 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N2CCC[C@@H](C#N)C2)C1 ZINC001181343464 910698052 /nfs/dbraw/zinc/69/80/52/910698052.db2.gz XFCYXIXSIDPUFB-JCGIZDLHSA-N 1 0 375.463 3.541 20 30 GHEDRO COCC[N@H+](C)[C@H](CNC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC001181389242 910754777 /nfs/dbraw/zinc/75/47/77/910754777.db2.gz FBOIFTJYZBZJHX-LJQANCHMSA-N 1 0 391.943 3.940 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000246920515 910760797 /nfs/dbraw/zinc/76/07/97/910760797.db2.gz FJAZJLVKEMWUGD-IAGOWNOFSA-N 1 0 388.487 3.846 20 30 GHEDRO C=CCn1c(C)nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1=S ZINC000246951087 910792304 /nfs/dbraw/zinc/79/23/04/910792304.db2.gz ICEXDBRVMZJXGE-LEWJYISDSA-N 1 0 397.592 3.853 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000299712590 921611349 /nfs/dbraw/zinc/61/13/49/921611349.db2.gz QQFNAQNWPWCCHQ-CYBMUJFWSA-N 1 0 396.516 3.746 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC000817537457 911005695 /nfs/dbraw/zinc/00/56/95/911005695.db2.gz JAAFGPNMBNCCKC-UHFFFAOYSA-N 1 0 375.246 3.689 20 30 GHEDRO C[C@@H](C#N)OCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000801919925 921625102 /nfs/dbraw/zinc/62/51/02/921625102.db2.gz KILNRMPHXOHIKR-HNNXBMFYSA-N 1 0 382.439 3.756 20 30 GHEDRO CCCCCCCS(=O)(=O)N(c1ccccc1OC)C1CC[NH+](C)CC1 ZINC000795573635 911293678 /nfs/dbraw/zinc/29/36/78/911293678.db2.gz DNPVRHGNFPAGQM-UHFFFAOYSA-N 1 0 382.570 3.896 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1OCCCC#N ZINC000274303068 911298301 /nfs/dbraw/zinc/29/83/01/911298301.db2.gz SUDXNXRPSNSMEY-PPHZAIPVSA-N 1 0 386.517 3.587 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(OCc2ccccc2F)CC1 ZINC000091869031 911307549 /nfs/dbraw/zinc/30/75/49/911307549.db2.gz AAUHLDVJNJJEBG-INIZCTEOSA-N 1 0 381.451 3.706 20 30 GHEDRO CC[C@@H](C(=O)OC[C@@H](C#N)Cc1cccc(Br)c1)[NH+](CC)CC ZINC000774393190 911702262 /nfs/dbraw/zinc/70/22/62/911702262.db2.gz FRNXJRZQFXAMBZ-WBVHZDCISA-N 1 0 381.314 3.795 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(N(C)C)cc1 ZINC000774485167 911791892 /nfs/dbraw/zinc/79/18/92/911791892.db2.gz SBXLTQQKGHVUBP-KGLIPLIRSA-N 1 0 382.533 3.852 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC2(C)CC2)cc1 ZINC000284385669 911847722 /nfs/dbraw/zinc/84/77/22/911847722.db2.gz MGPFCDUDUYWJDW-UHFFFAOYSA-O 1 0 375.464 3.896 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC2(C)CC2)cc1 ZINC000284394736 911851724 /nfs/dbraw/zinc/85/17/24/911851724.db2.gz MTSWRHODPRUWIQ-UHFFFAOYSA-O 1 0 394.564 3.610 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c21 ZINC001182583113 911885380 /nfs/dbraw/zinc/88/53/80/911885380.db2.gz MTBZHZVKKXCXGI-IBGZPJMESA-N 1 0 386.499 3.610 20 30 GHEDRO CCOc1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000284550000 911922840 /nfs/dbraw/zinc/92/28/40/911922840.db2.gz VYHZWSJEXUOAFS-UHFFFAOYSA-O 1 0 398.552 3.520 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)CCN1[C@H](C)c1ccccc1 ZINC001187038010 914970289 /nfs/dbraw/zinc/97/02/89/914970289.db2.gz YELCIILHKBGLRR-HOJAQTOUSA-N 1 0 391.506 3.614 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccnc(N3CCCCC3)c2)c1 ZINC000303784469 915127811 /nfs/dbraw/zinc/12/78/11/915127811.db2.gz PCUNDCMHPMFXIR-UHFFFAOYSA-N 1 0 397.523 3.796 20 30 GHEDRO [NH2+]=C(NCCCSc1ccc(F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303790614 915131548 /nfs/dbraw/zinc/13/15/48/915131548.db2.gz WPXNHUIIAHDNIC-UHFFFAOYSA-N 1 0 375.469 3.896 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1=O ZINC001275597847 915200649 /nfs/dbraw/zinc/20/06/49/915200649.db2.gz JZIHZBAUGAAPQD-LJQANCHMSA-N 1 0 388.309 3.541 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCCc2ccc3ccccc3c2)cc1OC ZINC000303870108 915228195 /nfs/dbraw/zinc/22/81/95/915228195.db2.gz FGCAYDWZLZGVPF-UHFFFAOYSA-N 1 0 377.488 3.547 20 30 GHEDRO CCNC(=O)COc1cccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000303892692 915300449 /nfs/dbraw/zinc/30/04/49/915300449.db2.gz RJXJHABNWBLJJT-UHFFFAOYSA-N 1 0 394.519 3.656 20 30 GHEDRO CCCCCCNC(=[NH2+])NCCC(=O)Nc1cc(Br)ccc1C ZINC000303983084 915349124 /nfs/dbraw/zinc/34/91/24/915349124.db2.gz QXVFGSJZTYUPGX-UHFFFAOYSA-N 1 0 383.334 3.571 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)c2)CCO1 ZINC000304635386 915564084 /nfs/dbraw/zinc/56/40/84/915564084.db2.gz AUITZROJYNVYEA-GOSISDBHSA-N 1 0 392.547 3.713 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC2CCC2)cc1 ZINC000292343736 915627429 /nfs/dbraw/zinc/62/74/29/915627429.db2.gz PBVSIGOPHFABOD-UHFFFAOYSA-O 1 0 398.508 3.916 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCCO[C@@H]2CCCc3ccccc32)c1 ZINC000304746571 915668729 /nfs/dbraw/zinc/66/87/29/915668729.db2.gz FWZMEWWCVYPMQU-HXUWFJFHSA-N 1 0 383.492 3.915 20 30 GHEDRO COc1cccc([C@H](O)CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304740610 915668964 /nfs/dbraw/zinc/66/89/64/915668964.db2.gz BUPMWPHVLWZLTD-APPDUMDISA-N 1 0 382.291 3.701 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3Cl)C2)C1=O ZINC001275653820 915670980 /nfs/dbraw/zinc/67/09/80/915670980.db2.gz PKICUXWCQAUDOW-LJQANCHMSA-N 1 0 381.303 3.911 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000304763395 915700195 /nfs/dbraw/zinc/70/01/95/915700195.db2.gz WTKCXPNPPLBPRJ-UHFFFAOYSA-N 1 0 378.476 3.613 20 30 GHEDRO COc1cccc(C2(CNC(=[NH2+])Nc3ccc(OC)c(OC)c3)CCCC2)c1 ZINC000304763440 915700930 /nfs/dbraw/zinc/70/09/30/915700930.db2.gz WUPIOYIPWRYPMH-UHFFFAOYSA-N 1 0 383.492 3.951 20 30 GHEDRO [NH2+]=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCCCO2 ZINC000304763156 915700964 /nfs/dbraw/zinc/70/09/64/915700964.db2.gz WNBPASLDNVUJRT-UHFFFAOYSA-N 1 0 384.436 3.506 20 30 GHEDRO [NH2+]=C(NCCc1cc2ccccc2[nH]1)NCc1ccc(OC(F)(F)F)cc1 ZINC000305130987 915945661 /nfs/dbraw/zinc/94/56/61/915945661.db2.gz FATWUTISWPRVIU-UHFFFAOYSA-N 1 0 376.382 3.714 20 30 GHEDRO C#Cc1ccc(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC001188727930 916160377 /nfs/dbraw/zinc/16/03/77/916160377.db2.gz QKYQWLIJTCUOKW-JOCHJYFZSA-N 1 0 376.500 3.803 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccccc1N(C)C(=O)c1cccs1 ZINC000121361575 916395282 /nfs/dbraw/zinc/39/52/82/916395282.db2.gz VSXJUAROLJPXPZ-QGZVFWFLSA-N 1 0 398.528 3.915 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001189084600 916396846 /nfs/dbraw/zinc/39/68/46/916396846.db2.gz VGMUNJPFIOWLEV-JTSKRJEESA-N 1 0 377.488 3.549 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2cc(F)c(F)c(F)c2)c1 ZINC000305837696 916463766 /nfs/dbraw/zinc/46/37/66/916463766.db2.gz GEOUCIUKTBDRFS-UHFFFAOYSA-N 1 0 381.398 3.871 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC001189259117 916520869 /nfs/dbraw/zinc/52/08/69/916520869.db2.gz NPLUDHTVPUXQRE-GOSISDBHSA-N 1 0 395.551 3.555 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000294080521 916571941 /nfs/dbraw/zinc/57/19/41/916571941.db2.gz IKRKHLNEKPTHQD-LSDHHAIUSA-N 1 0 394.441 3.699 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](CCc1ccccc1Br)CC2 ZINC001275755697 916925557 /nfs/dbraw/zinc/92/55/57/916925557.db2.gz AQPQPWUIBDQGPA-UHFFFAOYSA-N 1 0 391.353 3.882 20 30 GHEDRO C[N@H+](Cc1cccc(Br)c1OCC(C)(C)O)[C@H]1CC[C@@H](C#N)C1 ZINC000294682951 916931522 /nfs/dbraw/zinc/93/15/22/916931522.db2.gz SQFFXJVEUUSDAI-HIFRSBDPSA-N 1 0 381.314 3.723 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650415191 916961479 /nfs/dbraw/zinc/96/14/79/916961479.db2.gz YASBLZWXDDLPQG-FXAWDEMLSA-N 1 0 389.565 3.977 20 30 GHEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775355755 917136640 /nfs/dbraw/zinc/13/66/40/917136640.db2.gz OFQUIQWOEQLHBQ-QGZVFWFLSA-N 1 0 397.494 3.778 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001190216707 917203389 /nfs/dbraw/zinc/20/33/89/917203389.db2.gz LEODKZFNBRHNGO-WMZHIEFXSA-N 1 0 395.478 3.507 20 30 GHEDRO N#C[C@@]1(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CC12CCCC2 ZINC000295245959 917227399 /nfs/dbraw/zinc/22/73/99/917227399.db2.gz JPBQRPALXVMLSY-XMMPIXPASA-N 1 0 395.547 3.648 20 30 GHEDRO CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccccc1 ZINC000775386797 917329448 /nfs/dbraw/zinc/32/94/48/917329448.db2.gz GZUISOPEPNGBAA-HSZRJFAPSA-N 1 0 396.535 3.867 20 30 GHEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3C(C)(C)C#N)[C@@H](C)C2)cc1 ZINC001190780795 917561274 /nfs/dbraw/zinc/56/12/74/917561274.db2.gz OEBRPDNJKOLLKP-SFHVURJKSA-N 1 0 391.515 3.985 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001190801297 917573750 /nfs/dbraw/zinc/57/37/50/917573750.db2.gz HGUVZZQQJJUAOR-YLJYHZDGSA-N 1 0 387.524 3.510 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000796469063 917578805 /nfs/dbraw/zinc/57/88/05/917578805.db2.gz VKLFVRSSGBFRTP-JOCHJYFZSA-N 1 0 377.488 3.891 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000796471851 917592695 /nfs/dbraw/zinc/59/26/95/917592695.db2.gz UMNPXOPFKKKANN-FQEVSTJZSA-N 1 0 388.305 3.849 20 30 GHEDRO CCCCCCCCNC(=O)N1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001191060486 917731115 /nfs/dbraw/zinc/73/11/15/917731115.db2.gz VTRFPQWXZAAJCJ-UHFFFAOYSA-N 1 0 389.588 3.921 20 30 GHEDRO C#CCN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC001191047528 917750206 /nfs/dbraw/zinc/75/02/06/917750206.db2.gz GLVWVBIWPXAUBT-FUHWJXTLSA-N 1 0 377.326 3.692 20 30 GHEDRO CCCCCCCNC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001191093256 917779309 /nfs/dbraw/zinc/77/93/09/917779309.db2.gz HPUUCLSYNHGVBC-YADHBBJMSA-N 1 0 387.568 3.684 20 30 GHEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001191131463 917802206 /nfs/dbraw/zinc/80/22/06/917802206.db2.gz GCXUMPBPAATFOI-UHFFFAOYSA-N 1 0 395.429 3.903 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccc(C(F)(F)F)cc1 ZINC000652172053 917825961 /nfs/dbraw/zinc/82/59/61/917825961.db2.gz JBJOSYXKKRNKCK-KBAYOESNSA-N 1 0 399.457 3.718 20 30 GHEDRO C#CCOc1ccccc1NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000775444851 917841996 /nfs/dbraw/zinc/84/19/96/917841996.db2.gz CWRLMYMWIFCADS-UHFFFAOYSA-N 1 0 392.503 3.793 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1=O ZINC001275819861 917949788 /nfs/dbraw/zinc/94/97/88/917949788.db2.gz WSECXEPJYHCYMH-FQEVSTJZSA-N 1 0 385.920 3.664 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000796596209 918592565 /nfs/dbraw/zinc/59/25/65/918592565.db2.gz CYCPRMCOUIPIQG-PMACEKPBSA-N 1 0 390.405 3.602 20 30 GHEDRO Cc1nsc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C#N ZINC000297384368 919282852 /nfs/dbraw/zinc/28/28/52/919282852.db2.gz IUTBCTWRDYJHKK-UHFFFAOYSA-N 1 0 395.532 3.843 20 30 GHEDRO C[N@H+](Cc1ccccc1CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000115597890 919459693 /nfs/dbraw/zinc/45/96/93/919459693.db2.gz OXQHWOLXEMKCCA-HSZRJFAPSA-N 1 0 390.531 3.639 20 30 GHEDRO CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccn1 ZINC000119733902 919650213 /nfs/dbraw/zinc/65/02/13/919650213.db2.gz PJAVJFLQDLUXMW-UHFFFAOYSA-N 1 0 379.508 3.947 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc(OC)c1O ZINC000800288954 919845579 /nfs/dbraw/zinc/84/55/79/919845579.db2.gz FDIWIXQABYJCSZ-KRWDZBQOSA-N 1 0 392.293 3.715 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000297973104 920039733 /nfs/dbraw/zinc/03/97/33/920039733.db2.gz VNXNLDKXFGJTBG-INIZCTEOSA-N 1 0 378.476 3.756 20 30 GHEDRO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(CCN(CCC(F)(F)F)C2=O)C1 ZINC001275956740 920198091 /nfs/dbraw/zinc/19/80/91/920198091.db2.gz LTPWZAZVDJJPGL-QGZVFWFLSA-N 1 0 385.817 3.588 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NCCn2ccnc2)cc1 ZINC000900423060 920301676 /nfs/dbraw/zinc/30/16/76/920301676.db2.gz HNTQHUZJOQZFGF-UHFFFAOYSA-N 1 0 387.487 3.918 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C1=O ZINC001275966201 920345304 /nfs/dbraw/zinc/34/53/04/920345304.db2.gz RRRDWKHHJOPLKK-UHFFFAOYSA-N 1 0 381.289 3.589 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)n2cc(C[NH+](C(C)C)C(C)C)nn2)cc1 ZINC000900522109 920367878 /nfs/dbraw/zinc/36/78/78/920367878.db2.gz YRLJQKFAUABLHS-LJQANCHMSA-N 1 0 396.539 3.713 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000298467913 920572494 /nfs/dbraw/zinc/57/24/94/920572494.db2.gz IOGSYHXJHUMGGE-IBGZPJMESA-N 1 0 399.292 3.785 20 30 GHEDRO N#CC1(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)CCSCC1 ZINC000900833237 920643985 /nfs/dbraw/zinc/64/39/85/920643985.db2.gz CNFDUZMKDLYAHV-UHFFFAOYSA-N 1 0 379.529 3.519 20 30 GHEDRO CN(C(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1(C#N)CCCCC1 ZINC000008546724 921936058 /nfs/dbraw/zinc/93/60/58/921936058.db2.gz NFINXETYJBAIOB-UHFFFAOYSA-N 1 0 397.519 3.514 20 30 GHEDRO CC(C)[C@@H]1C[C@H](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000367820799 922326935 /nfs/dbraw/zinc/32/69/35/922326935.db2.gz KYSNPCAYHGYNDA-RTWAWAEBSA-N 1 0 383.536 3.502 20 30 GHEDRO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000902784278 922491527 /nfs/dbraw/zinc/49/15/27/922491527.db2.gz RWHXEOSPDVUPMU-UWJYYQICSA-N 1 0 376.504 3.789 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](Cc2ccncc2)C1 ZINC000368649402 922793401 /nfs/dbraw/zinc/79/34/01/922793401.db2.gz DRVCRBZDQURZKV-IEBWSBKVSA-N 1 0 394.544 3.836 20 30 GHEDRO C[C@@]1(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000803339446 922901658 /nfs/dbraw/zinc/90/16/58/922901658.db2.gz OBUTYUCSBDKBSU-QHCPKHFHSA-N 1 0 391.490 3.757 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(O)c1 ZINC000748285054 923549499 /nfs/dbraw/zinc/54/94/99/923549499.db2.gz GXMJYAVCOODJNQ-BEXDPUPVSA-N 1 0 397.519 3.953 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(OCC#N)cc1 ZINC000369985227 923783305 /nfs/dbraw/zinc/78/33/05/923783305.db2.gz NRZOZGZLQJMYBK-DNVCBOLYSA-N 1 0 391.450 3.652 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000748803202 923852542 /nfs/dbraw/zinc/85/25/42/923852542.db2.gz SSFNMRYRMJTQPT-HXUWFJFHSA-N 1 0 382.552 3.581 20 30 GHEDRO C[C@H](C#N)Oc1ccc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157860 923911750 /nfs/dbraw/zinc/91/17/50/923911750.db2.gz AVBVFGFZKKNXJB-UZLBHIALSA-N 1 0 396.491 3.982 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccccc2SCC#N)CC1 ZINC000749068802 924011626 /nfs/dbraw/zinc/01/16/26/924011626.db2.gz OXNFFLVEYKVOEK-INIZCTEOSA-N 1 0 380.517 3.653 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1 ZINC000370675691 924250708 /nfs/dbraw/zinc/25/07/08/924250708.db2.gz DJJPGJPABNQTBZ-BEFAXECRSA-N 1 0 375.900 3.735 20 30 GHEDRO N#CCSCCC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000371246955 924493377 /nfs/dbraw/zinc/49/33/77/924493377.db2.gz IXLUPPZBQNTNML-ZDUSSCGKSA-N 1 0 383.443 3.574 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000371421556 924572885 /nfs/dbraw/zinc/57/28/85/924572885.db2.gz VSIGYYRYGPMCOM-INIZCTEOSA-N 1 0 381.451 3.967 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1 ZINC000371422643 924573335 /nfs/dbraw/zinc/57/33/35/924573335.db2.gz NFWBTEKNZIUVQU-AOMKIAJQSA-N 1 0 375.472 3.925 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678636851 924856891 /nfs/dbraw/zinc/85/68/91/924856891.db2.gz FVZBVDJUMQMXTH-IPMKNSEASA-N 1 0 376.566 3.790 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678636852 924857111 /nfs/dbraw/zinc/85/71/11/924857111.db2.gz FVZBVDJUMQMXTH-OTWHNJEPSA-N 1 0 376.566 3.790 20 30 GHEDRO Cn1cc([C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2)cn1 ZINC000371809158 924875905 /nfs/dbraw/zinc/87/59/05/924875905.db2.gz NLVSHOVFTFEVEO-DEOSSOPVSA-N 1 0 385.515 3.635 20 30 GHEDRO N#CCCCNC(=O)[C@H]1CC12CCN(Cc1c(F)ccc(Cl)c1F)CC2 ZINC001276052596 924926836 /nfs/dbraw/zinc/92/68/36/924926836.db2.gz DHHZKBSFUDQBGO-CQSZACIVSA-N 1 0 381.854 3.640 20 30 GHEDRO C=CCOCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000679576554 925185712 /nfs/dbraw/zinc/18/57/12/925185712.db2.gz PDDDNUAXGFUJMK-KRWDZBQOSA-N 1 0 380.554 3.541 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(C)ccc3Br)C2)C1=O ZINC001137382486 925201429 /nfs/dbraw/zinc/20/14/29/925201429.db2.gz YAXZJRLOMPQBQT-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000373395610 926080251 /nfs/dbraw/zinc/08/02/51/926080251.db2.gz YJILRDJEIPIVOG-QFIPXVFZSA-N 1 0 398.595 3.753 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000411160870 926157702 /nfs/dbraw/zinc/15/77/02/926157702.db2.gz XLXOKSYMNYQPSG-BHDDXSALSA-N 1 0 389.499 3.624 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@H](CO)c3ccccc3)sc2C1 ZINC000411229218 926234123 /nfs/dbraw/zinc/23/41/23/926234123.db2.gz UDIBQEFQQPOVGG-HNAYVOBHSA-N 1 0 397.544 3.739 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)c2ccccc12 ZINC001276159205 926296434 /nfs/dbraw/zinc/29/64/34/926296434.db2.gz XDTGCZQTZZIQDJ-WOJBJXKFSA-N 1 0 397.316 3.801 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)CCC2 ZINC000411463469 926424887 /nfs/dbraw/zinc/42/48/87/926424887.db2.gz RSQAGYLOFMMWDM-HRAATJIYSA-N 1 0 395.528 3.804 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1)C(C)C ZINC000726054128 926540223 /nfs/dbraw/zinc/54/02/23/926540223.db2.gz LKCBMYVWQBVUMD-VGSWGCGISA-N 1 0 387.524 3.517 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC000726441044 926664090 /nfs/dbraw/zinc/66/40/90/926664090.db2.gz KNTAHLMXNUUOOL-KRWDZBQOSA-N 1 0 376.888 3.940 20 30 GHEDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000411732227 926703951 /nfs/dbraw/zinc/70/39/51/926703951.db2.gz DBQSCMAFCONOOQ-SFHVURJKSA-N 1 0 391.924 3.951 20 30 GHEDRO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC[C@@H]3CC3CCCCC3)C2=O)cc1 ZINC000726589857 926746755 /nfs/dbraw/zinc/74/67/55/926746755.db2.gz PVOXDTPXJITKNW-OAQYLSRUSA-N 1 0 394.519 3.715 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411863722 926853014 /nfs/dbraw/zinc/85/30/14/926853014.db2.gz CMZHUCOJOFLVIC-INIZCTEOSA-N 1 0 375.513 3.822 20 30 GHEDRO N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000374304602 927003113 /nfs/dbraw/zinc/00/31/13/927003113.db2.gz APDHJJPHJVSADN-OAQYLSRUSA-N 1 0 388.515 3.520 20 30 GHEDRO CCOC(=O)c1sc(C/[NH+]=C/c2ccc(N(CC)CC)cc2O)nc1C ZINC000749932042 927357047 /nfs/dbraw/zinc/35/70/47/927357047.db2.gz ZBCXVCALDGZJNH-RGVLZGJSSA-N 1 0 375.494 3.799 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000750837204 927884498 /nfs/dbraw/zinc/88/44/98/927884498.db2.gz NHXRPWYJRSBLCU-UXHICEINSA-N 1 0 397.544 3.604 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000751147538 928049345 /nfs/dbraw/zinc/04/93/45/928049345.db2.gz DDEKCIVUGXOFGF-UHFFFAOYSA-N 1 0 384.705 3.712 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000413133051 928242622 /nfs/dbraw/zinc/24/26/22/928242622.db2.gz HCAHCBDSPIYEQU-JOCHJYFZSA-N 1 0 378.520 3.533 20 30 GHEDRO N#Cc1cnc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c(F)c1 ZINC000413331294 928447199 /nfs/dbraw/zinc/44/71/99/928447199.db2.gz RTHZVALFRKRDSX-UHFFFAOYSA-N 1 0 399.901 3.537 20 30 GHEDRO N#CCC1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000543842082 928489436 /nfs/dbraw/zinc/48/94/36/928489436.db2.gz HVOKZQKTUBMRRP-LJQANCHMSA-N 1 0 379.426 3.593 20 30 GHEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000467179726 928794260 /nfs/dbraw/zinc/79/42/60/928794260.db2.gz HQVKEIXOXOKVGE-CYBMUJFWSA-N 1 0 390.386 3.562 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)CC1 ZINC000544310121 929041136 /nfs/dbraw/zinc/04/11/36/929041136.db2.gz UOJPGACFDXUCKJ-UHFFFAOYSA-N 1 0 381.480 3.694 20 30 GHEDRO C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000544355447 929086357 /nfs/dbraw/zinc/08/63/57/929086357.db2.gz GUWQESKEANPRKF-DNVCBOLYSA-N 1 0 380.479 3.978 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2OCC#N)C[N@@H+]1Cc1ccccc1 ZINC000753149177 929229376 /nfs/dbraw/zinc/22/93/76/929229376.db2.gz IADFZORJSUQVIS-UYAOXDASSA-N 1 0 377.488 3.619 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](c3ccccc3)c3cncnc3)C2)c(F)c1 ZINC000544567175 929294084 /nfs/dbraw/zinc/29/40/84/929294084.db2.gz QCCHOSOONVQNEY-NZQKXSOJSA-N 1 0 387.462 3.835 20 30 GHEDRO CCc1nnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1CC ZINC000467792799 929427559 /nfs/dbraw/zinc/42/75/59/929427559.db2.gz LFIBEZQUOHHGST-XMMPIXPASA-N 1 0 389.547 3.966 20 30 GHEDRO C[C@@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C[N@@H+]1C1CC1 ZINC000753959272 929612245 /nfs/dbraw/zinc/61/22/45/929612245.db2.gz HDWGUGWDGXGPBI-LLVKDONJSA-N 1 0 376.386 3.582 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469175806 929656754 /nfs/dbraw/zinc/65/67/54/929656754.db2.gz YOHVVILZJUAQJB-UHFFFAOYSA-N 1 0 388.471 3.854 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000757606438 929741999 /nfs/dbraw/zinc/74/19/99/929741999.db2.gz PWJFQFFRXOPFQT-FCHUYYIVSA-N 1 0 391.515 3.896 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2OC)[NH+]2CCCC2)c1 ZINC000546001848 929761957 /nfs/dbraw/zinc/76/19/57/929761957.db2.gz LOZARZWNSMSDBC-HXUWFJFHSA-N 1 0 394.475 3.534 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000546091897 929843608 /nfs/dbraw/zinc/84/36/08/929843608.db2.gz ARDIWRJHQVRUKB-SFHVURJKSA-N 1 0 389.565 3.564 20 30 GHEDRO CC1CC(C#N)(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000758208277 929974818 /nfs/dbraw/zinc/97/48/18/929974818.db2.gz GTMYQGKEIZVLFU-UHFFFAOYSA-N 1 0 382.508 3.770 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)CC1 ZINC000758431028 930043443 /nfs/dbraw/zinc/04/34/43/930043443.db2.gz WVXFEGUWVWKBCX-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO NC(=[NH+]OCc1cccc(-n2cccn2)c1)c1ccc(N2CCCCC2)cc1 ZINC000758763781 930160771 /nfs/dbraw/zinc/16/07/71/930160771.db2.gz RSMGMCXWPBJECE-UHFFFAOYSA-N 1 0 375.476 3.700 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000469931420 930265237 /nfs/dbraw/zinc/26/52/37/930265237.db2.gz YJPNTLAUKNMOSD-IBGZPJMESA-N 1 0 392.503 3.989 20 30 GHEDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000470206424 930452139 /nfs/dbraw/zinc/45/21/39/930452139.db2.gz KEDGBRDWVIHWEK-IERDGZPVSA-N 1 0 391.943 3.754 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000781375912 930821828 /nfs/dbraw/zinc/82/18/28/930821828.db2.gz NGYCWJJKUHPEIV-FBBABVLZSA-N 1 0 398.551 3.820 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000547418256 930998222 /nfs/dbraw/zinc/99/82/22/930998222.db2.gz PLHIXBJFQJQQJJ-DNVCBOLYSA-N 1 0 384.505 3.833 20 30 GHEDRO CC[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@@H]1c1ccccc1 ZINC000470896730 931010625 /nfs/dbraw/zinc/01/06/25/931010625.db2.gz IDECVVRXEQPNSH-BVYCBKJFSA-N 1 0 387.483 3.706 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1 ZINC000547451223 931033517 /nfs/dbraw/zinc/03/35/17/931033517.db2.gz FJROMYWAMQGYQH-UHFFFAOYSA-N 1 0 390.409 3.563 20 30 GHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)c1ccsc1 ZINC000557519448 931514920 /nfs/dbraw/zinc/51/49/20/931514920.db2.gz MJYGNVHYVPTZGT-AWEZNQCLSA-N 1 0 376.407 3.722 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000557585581 931559138 /nfs/dbraw/zinc/55/91/38/931559138.db2.gz QPEFMBFTXMLLLD-QFIPXVFZSA-N 1 0 382.504 3.731 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN(C)CC2([NH+](C)C)CCC2)c1=S ZINC000783548431 931578311 /nfs/dbraw/zinc/57/83/11/931578311.db2.gz GVFPCAMXVIQXMU-UHFFFAOYSA-N 1 0 389.544 3.780 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)nn1-c1cccc(C#N)c1 ZINC000557978608 931783392 /nfs/dbraw/zinc/78/33/92/931783392.db2.gz NFDSBCCIXCZFPJ-UHFFFAOYSA-N 1 0 393.535 3.779 20 30 GHEDRO N#CCc1ccccc1CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000784324064 931855702 /nfs/dbraw/zinc/85/57/02/931855702.db2.gz CTXINRFQAZRPKU-WXFUMESZSA-N 1 0 387.527 3.712 20 30 GHEDRO C=CCc1cc(CNc2cccc3c2CC[N@H+](CC(C)(C)O)C3)cc(OC)c1O ZINC000784639498 931966381 /nfs/dbraw/zinc/96/63/81/931966381.db2.gz VVFUNUAHILJCEL-UHFFFAOYSA-N 1 0 396.531 3.870 20 30 GHEDRO COc1ccc2c(c1)C1(CC1)CN([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000558477518 932025891 /nfs/dbraw/zinc/02/58/91/932025891.db2.gz AHGMRRHHFVUWOO-SFHVURJKSA-N 1 0 389.499 3.878 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(N4CCCCC4=O)cc3)CC2)cc1 ZINC000796700040 932034564 /nfs/dbraw/zinc/03/45/64/932034564.db2.gz CGZVITUXKMVHAD-UHFFFAOYSA-N 1 0 388.515 3.834 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796962304 932125067 /nfs/dbraw/zinc/12/50/67/932125067.db2.gz REOFZVZKINALPX-UWJYYQICSA-N 1 0 398.551 3.762 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000797007904 932142709 /nfs/dbraw/zinc/14/27/09/932142709.db2.gz QYQPLYDBNLDMOS-IEBWSBKVSA-N 1 0 390.524 3.756 20 30 GHEDRO COC[C@@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCCN1C(=O)OC(C)(C)C ZINC000797114140 932188181 /nfs/dbraw/zinc/18/81/81/932188181.db2.gz OSWGCCRHEZUMGK-REWPJTCUSA-N 1 0 399.535 3.941 20 30 GHEDRO COC[C@]1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC000797114152 932188373 /nfs/dbraw/zinc/18/83/73/932188373.db2.gz OXRRXBZSGYFZNE-YCRPNKLZSA-N 1 0 391.487 3.764 20 30 GHEDRO COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CCCN1C(=O)OC(C)(C)C ZINC000797116036 932189418 /nfs/dbraw/zinc/18/94/18/932189418.db2.gz VXPBKOJWHJMLPM-BTYIYWSLSA-N 1 0 391.487 3.764 20 30 GHEDRO COC(=O)c1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C#N ZINC000558737386 932201768 /nfs/dbraw/zinc/20/17/68/932201768.db2.gz BCVQSVBZAFVWLY-JOCHJYFZSA-N 1 0 391.515 3.735 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000797169039 932210619 /nfs/dbraw/zinc/21/06/19/932210619.db2.gz ZICNPMRSXDCMPE-XYOKQWHBSA-N 1 0 378.476 3.582 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000797414474 932275213 /nfs/dbraw/zinc/27/52/13/932275213.db2.gz AYZNYTDNSCXGQO-FIKGOQFSSA-N 1 0 387.549 3.930 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCCOC1 ZINC000926745241 932288964 /nfs/dbraw/zinc/28/89/64/932288964.db2.gz GGBCTEGUGFBRHD-MSOLQXFVSA-N 1 0 379.545 3.712 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccnc(F)c1 ZINC000926789907 932307361 /nfs/dbraw/zinc/30/73/61/932307361.db2.gz XEMJUXJZTSDTIC-HNNXBMFYSA-N 1 0 376.476 3.630 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000558981802 932353571 /nfs/dbraw/zinc/35/35/71/932353571.db2.gz MWSGWHLJQCBCIK-SFHVURJKSA-N 1 0 383.540 3.698 20 30 GHEDRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](C[NH2+][C@H]1CCc3ccc(C#N)cc31)O2 ZINC000926994486 932374369 /nfs/dbraw/zinc/37/43/69/932374369.db2.gz JWXMPFCOPNQWIP-CYMONXJESA-N 1 0 382.504 3.805 20 30 GHEDRO CC(C)[C@H](C(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)[NH+](C)C ZINC000798860946 932800759 /nfs/dbraw/zinc/80/07/59/932800759.db2.gz CEJUSSNWUUNWQD-CYBMUJFWSA-N 1 0 375.284 3.891 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000799121163 932882105 /nfs/dbraw/zinc/88/21/05/932882105.db2.gz QFLLEBPPAOGLTQ-MSOLQXFVSA-N 1 0 379.545 3.855 20 30 GHEDRO CCn1cc([C@H](O)C[N@H+](CCCC2(C#N)CCOCC2)Cc2ccccc2)cn1 ZINC000799168938 932896200 /nfs/dbraw/zinc/89/62/00/932896200.db2.gz SIXKYWKTSGUGRA-JOCHJYFZSA-N 1 0 396.535 3.539 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799226669 932924874 /nfs/dbraw/zinc/92/48/74/932924874.db2.gz HJFACYLEDRRGTL-QFIPXVFZSA-N 1 0 378.476 3.601 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C)c(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000799296922 932941937 /nfs/dbraw/zinc/94/19/37/932941937.db2.gz KMJFISCORYXNNR-JOCHJYFZSA-N 1 0 377.488 3.832 20 30 GHEDRO N#CCOc1cccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)c1 ZINC001116055348 933309360 /nfs/dbraw/zinc/30/93/60/933309360.db2.gz MGFLHGMEEWPGKL-UHFFFAOYSA-N 1 0 397.276 3.827 20 30 GHEDRO CN(C(=O)Nc1ccc(OCC#N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001116180873 933388579 /nfs/dbraw/zinc/38/85/79/933388579.db2.gz XBGJXHFBQRNLCU-FQEVSTJZSA-N 1 0 378.476 3.717 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000929483739 933453006 /nfs/dbraw/zinc/45/30/06/933453006.db2.gz GMUZIEXVMWPEPZ-UHFFFAOYSA-N 1 0 391.475 3.550 20 30 GHEDRO N#Cc1cc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000561119932 933884133 /nfs/dbraw/zinc/88/41/33/933884133.db2.gz DAACDHNDGIMVGG-SFHVURJKSA-N 1 0 385.855 3.951 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000561297749 934033731 /nfs/dbraw/zinc/03/37/31/934033731.db2.gz KMWPJPBFYVOOKU-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C[C@@]1(Cc2cccc(Br)c2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001119382762 934339979 /nfs/dbraw/zinc/33/99/79/934339979.db2.gz CDAPPTFVHJJWGR-MJGOQNOKSA-N 1 0 392.341 3.784 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000561793571 934456580 /nfs/dbraw/zinc/45/65/80/934456580.db2.gz JJHFXWYTIHIDTP-JOCHJYFZSA-N 1 0 390.483 3.600 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931365689 934523961 /nfs/dbraw/zinc/52/39/61/934523961.db2.gz IXAYWYCYIRPYOD-OAHLLOKOSA-N 1 0 379.489 3.704 20 30 GHEDRO Cc1nc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)sc1SCC#N ZINC000931387151 934535430 /nfs/dbraw/zinc/53/54/30/934535430.db2.gz AWVYBUDGOGMIDS-UHFFFAOYSA-N 1 0 376.507 3.898 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001121495467 934673993 /nfs/dbraw/zinc/67/39/93/934673993.db2.gz ICVJVSGUEJIGHZ-ZJOUEHCJSA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC12CC[NH+](C)CC2 ZINC000931719225 934691593 /nfs/dbraw/zinc/69/15/93/934691593.db2.gz NZFNSRQCQYJFMQ-UHFFFAOYSA-N 1 0 394.313 3.716 20 30 GHEDRO C=CCn1c([C@H](CC)[C@@H](O)c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121553500 934695509 /nfs/dbraw/zinc/69/55/09/934695509.db2.gz OIMZHGAHJGGDME-RTWAWAEBSA-N 1 0 397.567 3.658 20 30 GHEDRO C=CCn1c([C@@H](CC(C)C)n2ccnc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001121590191 934709030 /nfs/dbraw/zinc/70/90/30/934709030.db2.gz LWTSWKCPESWFCT-LJQANCHMSA-N 1 0 399.587 3.607 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001121628434 934719588 /nfs/dbraw/zinc/71/95/88/934719588.db2.gz BUNBFAGGQWSNKQ-HXUWFJFHSA-N 1 0 399.583 3.963 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001121681590 934737096 /nfs/dbraw/zinc/73/70/96/934737096.db2.gz CIBHPVFIGTYZAM-LNLFQRSKSA-N 1 0 387.572 3.793 20 30 GHEDRO C=CCn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1CSC ZINC001121691250 934740496 /nfs/dbraw/zinc/74/04/96/934740496.db2.gz VODHTCSHYZNCBD-HSALFYBXSA-N 1 0 397.592 3.609 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000932227620 934854782 /nfs/dbraw/zinc/85/47/82/934854782.db2.gz AVVXQEYQTXBISS-GOSISDBHSA-N 1 0 391.393 3.549 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000932227623 934854814 /nfs/dbraw/zinc/85/48/14/934854814.db2.gz AVVXQEYQTXBISS-SFHVURJKSA-N 1 0 391.393 3.549 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001122459858 934875089 /nfs/dbraw/zinc/87/50/89/934875089.db2.gz VVLYVDKDMBJRTD-HXUWFJFHSA-N 1 0 392.551 3.755 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001122533420 934891922 /nfs/dbraw/zinc/89/19/22/934891922.db2.gz JOEZQSCRJIRNTD-WOJBJXKFSA-N 1 0 394.567 3.831 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001122601231 934915147 /nfs/dbraw/zinc/91/51/47/934915147.db2.gz FYASPMSORXKHLT-NHCUHLMSSA-N 1 0 395.551 3.631 20 30 GHEDRO C#CC[C@@H](CC)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCOCC ZINC001122614226 934920208 /nfs/dbraw/zinc/92/02/08/934920208.db2.gz OCWOUVRACNLWMD-LJQANCHMSA-N 1 0 389.588 3.532 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001122635496 934928705 /nfs/dbraw/zinc/92/87/05/934928705.db2.gz BCNYNBCUZWAEOR-LJQANCHMSA-N 1 0 392.507 3.528 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CC1CC1 ZINC001123502929 935212546 /nfs/dbraw/zinc/21/25/46/935212546.db2.gz CJCWQDAYCZRKDC-QGZVFWFLSA-N 1 0 398.580 3.522 20 30 GHEDRO C=C[C@@H](C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001123809931 935295129 /nfs/dbraw/zinc/29/51/29/935295129.db2.gz DWQIXGLIIYFTGU-HSZRJFAPSA-N 1 0 393.531 3.611 20 30 GHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)c2)c1 ZINC001124663160 935440594 /nfs/dbraw/zinc/44/05/94/935440594.db2.gz DVUSJBJTNBYSPE-JOCHJYFZSA-N 1 0 390.483 3.684 20 30 GHEDRO COc1cc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)ccc1C#N ZINC000828351863 935618188 /nfs/dbraw/zinc/61/81/88/935618188.db2.gz ZMZOUEOMJGFOAL-UHFFFAOYSA-N 1 0 392.503 3.597 20 30 GHEDRO C=CCC[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001137690177 935718366 /nfs/dbraw/zinc/71/83/66/935718366.db2.gz OKAMYBLKKYPEFB-HSZRJFAPSA-N 1 0 377.532 3.871 20 30 GHEDRO CC[C@H]1[N@H+](Cc2ccc(OC)cc2C#N)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001137701321 935732078 /nfs/dbraw/zinc/73/20/78/935732078.db2.gz UPKDFSFJJFQFAR-GGAORHGYSA-N 1 0 381.520 3.712 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(Br)c1 ZINC001137807447 935800600 /nfs/dbraw/zinc/80/06/00/935800600.db2.gz ZVJKSCAAGNIJCN-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC001137902526 935856739 /nfs/dbraw/zinc/85/67/39/935856739.db2.gz GUWKRMWIFXSQCM-UHFFFAOYSA-N 1 0 398.514 3.828 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000830161635 935907912 /nfs/dbraw/zinc/90/79/12/935907912.db2.gz TXSUITPILPBDLZ-IRXDYDNUSA-N 1 0 380.448 3.889 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000830161633 935908004 /nfs/dbraw/zinc/90/80/04/935908004.db2.gz TXSUITPILPBDLZ-DLBZAZTESA-N 1 0 380.448 3.889 20 30 GHEDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000411973866 1015067465 /nfs/dbraw/zinc/06/74/65/1015067465.db2.gz SKBUNNLZWITNPH-SXGZJXTBSA-N 1 0 375.538 3.670 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](c2ccsc2)C1)C(C)C ZINC000468039744 1015180881 /nfs/dbraw/zinc/18/08/81/1015180881.db2.gz SBAXMXXIVLNKLL-MOPGFXCFSA-N 1 0 377.554 3.530 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468139397 1015321065 /nfs/dbraw/zinc/32/10/65/1015321065.db2.gz ADPMXCCLZRWQFL-UHFFFAOYSA-N 1 0 388.496 3.782 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)on2)c1 ZINC000468246197 1015492469 /nfs/dbraw/zinc/49/24/69/1015492469.db2.gz VJRJTWQRIHWRCU-FQEVSTJZSA-N 1 0 386.455 3.608 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)ccc1OCCC(C)C ZINC000468792244 1016038127 /nfs/dbraw/zinc/03/81/27/1016038127.db2.gz BOUUYFSWEPXBIC-IRXDYDNUSA-N 1 0 387.524 3.722 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000546711504 1016723310 /nfs/dbraw/zinc/72/33/10/1016723310.db2.gz MMCZMIJOMRVBMG-IRXDYDNUSA-N 1 0 392.503 3.845 20 30 GHEDRO C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859703 1032157288 /nfs/dbraw/zinc/15/72/88/1032157288.db2.gz KCWBJYQYOKVKGL-VLIAUNLRSA-N 1 0 399.466 3.747 20 30 GHEDRO N#Cc1cc2ccc(O[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)cc2oc1=O ZINC001227382018 1032397197 /nfs/dbraw/zinc/39/71/97/1032397197.db2.gz HOARSKZCXKEOPY-LJQANCHMSA-N 1 0 380.831 3.971 20 30 GHEDRO C[C@@H]1C[C@@H](CNC(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)C[NH2+]1 ZINC001155102157 1032415966 /nfs/dbraw/zinc/41/59/66/1032415966.db2.gz PGLCBLNHDLNXFC-TZMCWYRMSA-N 1 0 376.838 3.911 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1-n1c2ccccc2nc1N1CC[NH2+]CC1 ZINC001155578196 1032586096 /nfs/dbraw/zinc/58/60/96/1032586096.db2.gz CWCZATKQBXTIJJ-UHFFFAOYSA-N 1 0 398.445 3.508 20 30 GHEDRO COc1cccc(N(c2nc(SC)nc(Cl)c2C#N)C2CC[NH2+]CC2)c1 ZINC001155604725 1032596044 /nfs/dbraw/zinc/59/60/44/1032596044.db2.gz PBQDWWWFIORUQE-UHFFFAOYSA-N 1 0 389.912 3.622 20 30 GHEDRO COc1cccc(N(c2ccc(C3(C#N)CCOCC3)cn2)C2CC[NH2+]CC2)c1 ZINC001155614108 1032599464 /nfs/dbraw/zinc/59/94/64/1032599464.db2.gz MLHLITPALZVAPC-UHFFFAOYSA-N 1 0 392.503 3.552 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(Cl)cc1 ZINC000558972612 1017326526 /nfs/dbraw/zinc/32/65/26/1017326526.db2.gz CNUGDBMOZFCQGL-LJQANCHMSA-N 1 0 394.862 3.899 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000559029273 1017341490 /nfs/dbraw/zinc/34/14/90/1017341490.db2.gz IDCPXLKULGZJLF-FQEVSTJZSA-N 1 0 395.551 3.540 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(C)c1OC)[C@H]2CC ZINC001204260561 1032704526 /nfs/dbraw/zinc/70/45/26/1032704526.db2.gz UUVKIJIPIKUUOM-REWPJTCUSA-N 1 0 386.536 3.934 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)[C@H](C)CCO)c1 ZINC000560855923 1017739975 /nfs/dbraw/zinc/73/99/75/1017739975.db2.gz SQRHKZCEGAOQFK-OAQYLSRUSA-N 1 0 393.531 3.823 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(-n2ccnn2)c1 ZINC000561355084 1017849397 /nfs/dbraw/zinc/84/93/97/1017849397.db2.gz YTKFKMBFLMFSFL-QFBILLFUSA-N 1 0 390.466 3.598 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(-n2ccnn2)c1 ZINC000561355085 1017849927 /nfs/dbraw/zinc/84/99/27/1017849927.db2.gz YTKFKMBFLMFSFL-VQIMIIECSA-N 1 0 390.466 3.598 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)cc1 ZINC001204299460 1032739622 /nfs/dbraw/zinc/73/96/22/1032739622.db2.gz BCNJJMHLJFARAZ-UHFFFAOYSA-N 1 0 376.500 3.706 20 30 GHEDRO C=CCOc1ccc(CN2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001204300769 1032743592 /nfs/dbraw/zinc/74/35/92/1032743592.db2.gz SCRAAATYPNGFAB-UHFFFAOYSA-N 1 0 380.536 3.616 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)CCCC1 ZINC000562524676 1018268525 /nfs/dbraw/zinc/26/85/25/1018268525.db2.gz HVWYPPSLMDUTPN-FQEVSTJZSA-N 1 0 383.536 3.928 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c2ccccc21 ZINC001204320486 1032764468 /nfs/dbraw/zinc/76/44/68/1032764468.db2.gz JJYPVDWUGYMNOC-DEOSSOPVSA-N 1 0 384.483 3.679 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC000932561413 1018459922 /nfs/dbraw/zinc/45/99/22/1018459922.db2.gz QCKQNJULSNQCEF-QFIPXVFZSA-N 1 0 376.504 3.923 20 30 GHEDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000562726684 1018578902 /nfs/dbraw/zinc/57/89/02/1018578902.db2.gz BWGZVCXYHFUGOK-IRXDYDNUSA-N 1 0 398.551 3.619 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000932698751 1018590563 /nfs/dbraw/zinc/59/05/63/1018590563.db2.gz WNJBIQOCQGZZAR-CVDCTZTESA-N 1 0 399.535 3.664 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000562751038 1018601839 /nfs/dbraw/zinc/60/18/39/1018601839.db2.gz HSWMSOPIUICMTK-FQEVSTJZSA-N 1 0 378.476 3.708 20 30 GHEDRO CCOC(=O)CCCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944099 1018773665 /nfs/dbraw/zinc/77/36/65/1018773665.db2.gz QLJZMGOSYCDKAG-UWVGGRQHSA-N 1 0 397.306 3.823 20 30 GHEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)cc1 ZINC001204369510 1032811035 /nfs/dbraw/zinc/81/10/35/1032811035.db2.gz WNRIZDLKYFVKCX-YPAWHYETSA-N 1 0 388.552 3.856 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3cccc(Cl)c3Cl)[nH]n2)CC1 ZINC001156019851 1032844585 /nfs/dbraw/zinc/84/45/85/1032844585.db2.gz CVVVKHMBJBBVNS-UHFFFAOYSA-N 1 0 377.275 3.667 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N(CCC#N)c2ccc(F)cc2)[C@H](C(F)(F)F)C1 ZINC000571779478 1019709950 /nfs/dbraw/zinc/70/99/50/1019709950.db2.gz JNABWJOIWZABDP-HZPDHXFCSA-N 1 0 385.405 3.981 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccccc2)n1 ZINC000047011471 1019939994 /nfs/dbraw/zinc/93/99/94/1019939994.db2.gz YFDLHIGHKSLVOE-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000575880789 1019954636 /nfs/dbraw/zinc/95/46/36/1019954636.db2.gz OQGOHOUCAWEUEK-KNQAVFIVSA-N 1 0 390.487 3.614 20 30 GHEDRO CCC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(=O)N1CCc2sccc2C1 ZINC000576317049 1020005818 /nfs/dbraw/zinc/00/58/18/1020005818.db2.gz PGFPUVHIHBXTCZ-PMACEKPBSA-N 1 0 379.529 3.950 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CC[NH2+]C[C@H]3c3cccs3)nn2)cc1 ZINC001156088749 1032871173 /nfs/dbraw/zinc/87/11/73/1032871173.db2.gz BFZBSHDBQDJKDW-MJGOQNOKSA-N 1 0 375.501 3.653 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000578319406 1020343726 /nfs/dbraw/zinc/34/37/26/1020343726.db2.gz KGEXWNMUZHPNAL-CTNGQTDRSA-N 1 0 376.504 3.823 20 30 GHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCOc1ccc(C#N)cc1OC ZINC000579330603 1020405877 /nfs/dbraw/zinc/40/58/77/1020405877.db2.gz OZDZQQUSMLTJLJ-FQEVSTJZSA-N 1 0 389.883 3.831 20 30 GHEDRO CSc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F ZINC000190608317 1020707037 /nfs/dbraw/zinc/70/70/37/1020707037.db2.gz AJXACDLWGJUMPW-IFXJQAMLSA-N 1 0 383.492 3.871 20 30 GHEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000191489939 1020772670 /nfs/dbraw/zinc/77/26/70/1020772670.db2.gz CNZYDPXHLSSSTR-QGZVFWFLSA-N 1 0 397.544 3.627 20 30 GHEDRO C=CCc1cc(OC)c(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001228427524 1032931880 /nfs/dbraw/zinc/93/18/80/1032931880.db2.gz IZHTVQORFBMVAD-HXUWFJFHSA-N 1 0 383.488 3.712 20 30 GHEDRO CNC(=O)c1cccc(CCNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304751065 1021154581 /nfs/dbraw/zinc/15/45/81/1021154581.db2.gz IWZUCWIYFGBZHC-GFCCVEGCSA-N 1 0 393.318 3.561 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3Br)C2)C1=O ZINC001204538961 1032957631 /nfs/dbraw/zinc/95/76/31/1032957631.db2.gz GISMWVWEMVKLNQ-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(Br)cc1N)C2 ZINC001140223315 1021186858 /nfs/dbraw/zinc/18/68/58/1021186858.db2.gz XFPPYWKKTGFKHS-OALUTQOASA-N 1 0 395.341 3.605 20 30 GHEDRO C[C@@H](C#N)OCC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801919301 1021455214 /nfs/dbraw/zinc/45/52/14/1021455214.db2.gz IEPIDZKETXTMEM-AZUAARDMSA-N 1 0 387.524 3.817 20 30 GHEDRO C[C@H](C#N)OCC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000801934271 1021456547 /nfs/dbraw/zinc/45/65/47/1021456547.db2.gz IWMCSILBNCYVTI-LJQANCHMSA-N 1 0 380.488 3.790 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(-c4cncnc4)cc3)C2)C1 ZINC001140349620 1021469316 /nfs/dbraw/zinc/46/93/16/1021469316.db2.gz FFAQADSSQHGAPQ-HSZRJFAPSA-N 1 0 392.503 3.754 20 30 GHEDRO COc1ccc(Cl)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001137264785 1021766878 /nfs/dbraw/zinc/76/68/78/1021766878.db2.gz ZQRCAAVWYIDDMY-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CCC(S)CC3)cc2)CC1 ZINC001140481270 1021783977 /nfs/dbraw/zinc/78/39/77/1021783977.db2.gz MERQYJATTDGGCE-UHFFFAOYSA-N 1 0 391.581 3.638 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000835067723 1021849612 /nfs/dbraw/zinc/84/96/12/1021849612.db2.gz AVRLRIUONOPWCR-NHCUHLMSSA-N 1 0 399.535 3.843 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001140598735 1022041283 /nfs/dbraw/zinc/04/12/83/1022041283.db2.gz BZZLEOAKQAJKIZ-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO CC(C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001140616572 1022079873 /nfs/dbraw/zinc/07/98/73/1022079873.db2.gz AHIKFAIQXRHRJK-JOCHJYFZSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1cc(N2CCN(C(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)c2ccccc2[nH+]1 ZINC001156453372 1033040605 /nfs/dbraw/zinc/04/06/05/1033040605.db2.gz XDXKOABNCFFIHM-UHFFFAOYSA-N 1 0 395.466 3.859 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)c(C#N)c(F)c1)CC2 ZINC001140750926 1022430462 /nfs/dbraw/zinc/43/04/62/1022430462.db2.gz CVWQIJHLMKGHSQ-UHFFFAOYSA-N 1 0 389.446 3.837 20 30 GHEDRO N#Cc1c(F)cc(CN2CCc3ncnc(-c4ccsc4)c3CC2)cc1F ZINC001140752559 1022434882 /nfs/dbraw/zinc/43/48/82/1022434882.db2.gz WIIACSYFZKDHHV-UHFFFAOYSA-N 1 0 382.439 3.956 20 30 GHEDRO N#Cc1c(F)cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1F ZINC001140758103 1022449045 /nfs/dbraw/zinc/44/90/45/1022449045.db2.gz ZYRGSAXYNXLMGS-HSZRJFAPSA-N 1 0 393.437 3.737 20 30 GHEDRO N#Cc1cccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1Cl ZINC001140813502 1022611498 /nfs/dbraw/zinc/61/14/98/1022611498.db2.gz KNKXUJNWOGVBEF-AZUAARDMSA-N 1 0 385.870 3.688 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000754407917 1022681897 /nfs/dbraw/zinc/68/18/97/1022681897.db2.gz KBRVWVANQFCKJR-HNNXBMFYSA-N 1 0 381.423 3.553 20 30 GHEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000754668257 1022821056 /nfs/dbraw/zinc/82/10/56/1022821056.db2.gz NXGBIABJAZKBIG-CQSZACIVSA-N 1 0 380.435 3.894 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923780 1022900523 /nfs/dbraw/zinc/90/05/23/1022900523.db2.gz GAINYAYQWNKVDV-NHCUHLMSSA-N 1 0 378.944 3.980 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000836496616 1023032838 /nfs/dbraw/zinc/03/28/38/1023032838.db2.gz FUBXZSLBNSYVGC-OALUTQOASA-N 1 0 392.503 3.963 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000755055240 1023049533 /nfs/dbraw/zinc/04/95/33/1023049533.db2.gz JWCWCGGMRKBGNQ-HIFRSBDPSA-N 1 0 394.313 3.667 20 30 GHEDRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000755208492 1023127874 /nfs/dbraw/zinc/12/78/74/1023127874.db2.gz YBODAVQZENBBDP-QGZVFWFLSA-N 1 0 395.322 3.564 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000755425477 1023243996 /nfs/dbraw/zinc/24/39/96/1023243996.db2.gz JMRAGLLSIWUYBE-UHFFFAOYSA-N 1 0 397.862 3.603 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c(C)n1-c1ccc(C#N)cc1 ZINC000755763353 1023367512 /nfs/dbraw/zinc/36/75/12/1023367512.db2.gz KIHDNAYEMWLOGZ-UHFFFAOYSA-N 1 0 390.487 3.763 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]2C1 ZINC001141107243 1023516626 /nfs/dbraw/zinc/51/66/26/1023516626.db2.gz VMUKEQFNMUKSOV-VXGBXAGGSA-N 1 0 396.944 3.544 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]2C1 ZINC001141114283 1023531396 /nfs/dbraw/zinc/53/13/96/1023531396.db2.gz KQZBKJBLRJAKMP-NWDGAFQWSA-N 1 0 396.944 3.544 20 30 GHEDRO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141114660 1023532000 /nfs/dbraw/zinc/53/20/00/1023532000.db2.gz UOQHYJXZUGTSOL-NSHDSACASA-N 1 0 384.933 3.544 20 30 GHEDRO C#CC[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000757009431 1023906444 /nfs/dbraw/zinc/90/64/44/1023906444.db2.gz UJGXEPFTOYMLEF-QFIPXVFZSA-N 1 0 379.479 3.854 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3C#N)CC2)c2ccccc21 ZINC001141164630 1023992641 /nfs/dbraw/zinc/99/26/41/1023992641.db2.gz CXNLPMNMWYTQIF-SFHVURJKSA-N 1 0 391.490 3.855 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cnc(Cl)n3[C@H]3CCCCO3)sc2C1 ZINC001205013616 1033207746 /nfs/dbraw/zinc/20/77/46/1033207746.db2.gz ZHRDKHQEPSMBTF-OAHLLOKOSA-N 1 0 377.901 3.900 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@]4(CCN4c4ncccn4)C3)cc2)cc1 ZINC001141291407 1024419993 /nfs/dbraw/zinc/41/99/93/1024419993.db2.gz HKQBLGPOQWTBJJ-XMMPIXPASA-N 1 0 397.482 3.995 20 30 GHEDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138335364 1024696606 /nfs/dbraw/zinc/69/66/06/1024696606.db2.gz OEYIPZNGLWVURR-XMMPIXPASA-N 1 0 385.511 3.951 20 30 GHEDRO CCCNC(=O)COC1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138335885 1024698393 /nfs/dbraw/zinc/69/83/93/1024698393.db2.gz FGYUBQFZGSDPNT-UHFFFAOYSA-N 1 0 390.527 3.594 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1OC ZINC001138345472 1024706642 /nfs/dbraw/zinc/70/66/42/1024706642.db2.gz IMPHNMSQMSYXGM-UHFFFAOYSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](C[C@H](O)c2ccccc2OC)C(C)C)cc1OC ZINC001138348382 1024709728 /nfs/dbraw/zinc/70/97/28/1024709728.db2.gz IXDCSUFEEVTZIR-FQEVSTJZSA-N 1 0 383.488 3.660 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)cc1OC ZINC001138349333 1024712381 /nfs/dbraw/zinc/71/23/81/1024712381.db2.gz VSYFRQYOTMXHCW-AEFFLSMTSA-N 1 0 388.508 3.585 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(N(CC)CC)cc1OC)C2 ZINC001138389559 1024766177 /nfs/dbraw/zinc/76/61/77/1024766177.db2.gz PWBJYRNKVADNOB-GGAORHGYSA-N 1 0 388.552 3.868 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)cc1 ZINC001138558506 1025020378 /nfs/dbraw/zinc/02/03/78/1025020378.db2.gz YHXROSOYWXNTMP-JOCHJYFZSA-N 1 0 383.532 3.744 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559446 1025021618 /nfs/dbraw/zinc/02/16/18/1025021618.db2.gz VCODACFEQNAKIB-GVXSCFBNSA-N 1 0 389.543 3.826 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1O ZINC001138626561 1025125317 /nfs/dbraw/zinc/12/53/17/1025125317.db2.gz KCOWUHSSIOUXTF-LJQANCHMSA-N 1 0 398.478 3.857 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1O ZINC001138626899 1025125459 /nfs/dbraw/zinc/12/54/59/1025125459.db2.gz SCBPIBMCRIVGHD-XUZZJYLKSA-N 1 0 394.515 3.966 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c1O ZINC001138627467 1025126921 /nfs/dbraw/zinc/12/69/21/1025126921.db2.gz ITZWJTUFXZDSNA-XMMPIXPASA-N 1 0 391.515 3.673 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1O ZINC001138627319 1025127487 /nfs/dbraw/zinc/12/74/87/1025127487.db2.gz CJAHJYQXENHSNV-NZQKXSOJSA-N 1 0 380.488 3.718 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000832021237 1025142082 /nfs/dbraw/zinc/14/20/82/1025142082.db2.gz UVKNVINSZNRKNT-JOCHJYFZSA-N 1 0 383.492 3.598 20 30 GHEDRO C=CC[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1ccncc1 ZINC000838479112 1025161463 /nfs/dbraw/zinc/16/14/63/1025161463.db2.gz ZKHPFFCNKGNRNX-SIKLNZKXSA-N 1 0 378.520 3.862 20 30 GHEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001138662032 1025182846 /nfs/dbraw/zinc/18/28/46/1025182846.db2.gz NGGSSIYDGDITOA-SZPZYZBQSA-N 1 0 376.500 3.846 20 30 GHEDRO CC[NH+]1CCC(C(=O)NCc2cc(F)c(C#N)c(F)c2)(c2ccccc2)CC1 ZINC001138759714 1025314751 /nfs/dbraw/zinc/31/47/51/1025314751.db2.gz SEWSTLUAVAGHRB-UHFFFAOYSA-N 1 0 383.442 3.506 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(C)c(C#N)cn3)CCC[N@@H+]2C)cc1 ZINC000838806075 1025377785 /nfs/dbraw/zinc/37/77/85/1025377785.db2.gz NEHFXRGJQYQZNE-DYESRHJHSA-N 1 0 379.460 3.510 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)c3cc(C)c(C#N)cn3)CCC[N@@H+]2C)cc1 ZINC000838806077 1025378454 /nfs/dbraw/zinc/37/84/54/1025378454.db2.gz NEHFXRGJQYQZNE-UTKZUKDTSA-N 1 0 379.460 3.510 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000838935214 1025456678 /nfs/dbraw/zinc/45/66/78/1025456678.db2.gz FNLXQQPPGOHZDX-WBVHZDCISA-N 1 0 388.468 3.640 20 30 GHEDRO N#Cc1c(Cl)ncnc1NCC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001161992743 1025527127 /nfs/dbraw/zinc/52/71/27/1025527127.db2.gz VWROPHKPVJSGTI-UHFFFAOYSA-N 1 0 376.291 3.679 20 30 GHEDRO N#Cc1nc(Cl)cnc1NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001162050285 1025565507 /nfs/dbraw/zinc/56/55/07/1025565507.db2.gz YAKFHARVDZOURT-UHFFFAOYSA-N 1 0 395.816 3.797 20 30 GHEDRO N#Cc1cnc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC001162057152 1025573495 /nfs/dbraw/zinc/57/34/95/1025573495.db2.gz YIECETRVNOJRIF-UHFFFAOYSA-N 1 0 378.373 3.652 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc3[nH]ccc3c1Cl)C2 ZINC001138929788 1025597252 /nfs/dbraw/zinc/59/72/52/1025597252.db2.gz BCIHUPPZPQXDJT-YLJYHZDGSA-N 1 0 375.900 3.742 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)C1 ZINC000839188763 1025707019 /nfs/dbraw/zinc/70/70/19/1025707019.db2.gz LYZSYQFNRKAYST-ICSRJNTNSA-N 1 0 384.524 3.955 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(Nc3ccc(CC[NH+](C)C)cc3)c2c1 ZINC001162430144 1025745574 /nfs/dbraw/zinc/74/55/74/1025745574.db2.gz CBEHSZSEOUAKRP-UHFFFAOYSA-N 1 0 376.460 3.971 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162461819 1025755325 /nfs/dbraw/zinc/75/53/25/1025755325.db2.gz RCRLWEYDBLPRGV-SJLPKXTDSA-N 1 0 389.616 3.650 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001139028178 1025795320 /nfs/dbraw/zinc/79/53/20/1025795320.db2.gz OQNNYAYYCHLUMV-IBGZPJMESA-N 1 0 398.478 3.988 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(NC[C@]3(F)CCCC[NH2+]C3)nn2)c1 ZINC001162580607 1025805579 /nfs/dbraw/zinc/80/55/79/1025805579.db2.gz TYAQZHYICUDGTJ-SFHVURJKSA-N 1 0 393.388 3.928 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)cc2c1Cl ZINC001162803779 1025923080 /nfs/dbraw/zinc/92/30/80/1025923080.db2.gz VRYLZNMDKCDPID-JBCWJZNQSA-N 1 0 395.240 3.826 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162845752 1025937326 /nfs/dbraw/zinc/93/73/26/1025937326.db2.gz UYJCCTLWOWBAFY-SFHVURJKSA-N 1 0 395.579 3.623 20 30 GHEDRO COc1ccccc1[C@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)C(F)(F)F ZINC001162896387 1025957368 /nfs/dbraw/zinc/95/73/68/1025957368.db2.gz DDDDNPSDNMISBT-KRWDZBQOSA-N 1 0 376.382 3.713 20 30 GHEDRO COc1ccccc1[C@@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)C(F)(F)F ZINC001162896388 1025957455 /nfs/dbraw/zinc/95/74/55/1025957455.db2.gz DDDDNPSDNMISBT-QGZVFWFLSA-N 1 0 376.382 3.713 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](Nc1nc(Cl)nc3[nH]cc(C#N)c31)CC21CC[NH2+]CC1 ZINC001163024594 1026012068 /nfs/dbraw/zinc/01/20/68/1026012068.db2.gz ZOMYOVWLRFAZOQ-INIZCTEOSA-N 1 0 392.894 3.970 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](Nc1c(Br)cncc1C#N)CC21CC[NH2+]CC1 ZINC001163034336 1026017768 /nfs/dbraw/zinc/01/77/68/1026017768.db2.gz OZRZGCIFABMXCL-SFHVURJKSA-N 1 0 397.320 3.624 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](O)c1ccccc1 ZINC000839600508 1026098255 /nfs/dbraw/zinc/09/82/55/1026098255.db2.gz CROICVPIYZTJEP-NHCUHLMSSA-N 1 0 385.895 3.888 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)[C@H](O)c1ccccc1 ZINC000839604307 1026103042 /nfs/dbraw/zinc/10/30/42/1026103042.db2.gz LZMGHBSBOXJQTG-BTYIYWSLSA-N 1 0 397.544 3.881 20 30 GHEDRO COc1cccc([C@@H](C[NH3+])Nc2cnc(Cl)nc2Oc2ccccc2C#N)c1 ZINC001163311850 1026136259 /nfs/dbraw/zinc/13/62/59/1026136259.db2.gz HVXUPWGUQAYADG-MRXNPFEDSA-N 1 0 395.850 3.914 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1cc(C)nc(NC(=O)c2ccccc2)n1 ZINC001163474063 1026207106 /nfs/dbraw/zinc/20/71/06/1026207106.db2.gz ZPKUEFQPCJXTKD-UHFFFAOYSA-N 1 0 388.475 3.527 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1nc2ccccc2nc1Cl ZINC001163471699 1026207256 /nfs/dbraw/zinc/20/72/56/1026207256.db2.gz DCSXBTSHRZNYCU-UHFFFAOYSA-N 1 0 389.837 3.999 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCN(Cc4ccncc4)CC3)cc2)c1 ZINC001139400078 1026271010 /nfs/dbraw/zinc/27/10/10/1026271010.db2.gz FPYKNGFPRWTMKK-UHFFFAOYSA-N 1 0 383.499 3.723 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)cc1 ZINC001139407263 1026280108 /nfs/dbraw/zinc/28/01/08/1026280108.db2.gz VNWVEPNYDZAIHI-UHFFFAOYSA-N 1 0 379.467 3.814 20 30 GHEDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139424978 1026296197 /nfs/dbraw/zinc/29/61/97/1026296197.db2.gz XSCRCCIZEYNSQH-FQEVSTJZSA-N 1 0 392.503 3.826 20 30 GHEDRO CCC[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CCN(C(C)=O)CC1 ZINC001139427831 1026297927 /nfs/dbraw/zinc/29/79/27/1026297927.db2.gz SWCAFSYSAXGHBQ-UHFFFAOYSA-N 1 0 392.503 3.968 20 30 GHEDRO Cc1c[nH+]ccc1N1CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139428198 1026299366 /nfs/dbraw/zinc/29/93/66/1026299366.db2.gz DQQFPKQTUJZJCC-UHFFFAOYSA-N 1 0 385.471 3.771 20 30 GHEDRO CCCNC(=O)c1ccccc1OC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139530513 1026388571 /nfs/dbraw/zinc/38/85/71/1026388571.db2.gz FNGQJZFNPRBRGR-UHFFFAOYSA-N 1 0 395.478 3.881 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)c1 ZINC001139647309 1026508407 /nfs/dbraw/zinc/50/84/07/1026508407.db2.gz GYUKBPSBVVCEPZ-OAQYLSRUSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1ccc(F)c(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001139649084 1026511351 /nfs/dbraw/zinc/51/13/51/1026511351.db2.gz MUFGCIFMIPLGSU-UHFFFAOYSA-N 1 0 379.479 3.564 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001139689905 1026542008 /nfs/dbraw/zinc/54/20/08/1026542008.db2.gz XWOFMFSURDRDDT-IEBWSBKVSA-N 1 0 385.870 3.688 20 30 GHEDRO CN1CC[C@@]2(C[N@H+](Cc3cccc(Cl)c3C#N)C[C@@H]2c2ccccc2)C1=O ZINC001139689968 1026542159 /nfs/dbraw/zinc/54/21/59/1026542159.db2.gz ZSBPJQIUAUAXBK-KNQAVFIVSA-N 1 0 379.891 3.660 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CCN(C(=O)c5cccnc5)C4)CC3)c[nH]c21 ZINC001139701032 1026545863 /nfs/dbraw/zinc/54/58/63/1026545863.db2.gz GCCJJCCHRBRASQ-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@H]4O[C@H](COc5cccnc5)CC[C@H]43)c[nH]c21 ZINC001139701765 1026547397 /nfs/dbraw/zinc/54/73/97/1026547397.db2.gz QHEGPCWMBXDGMB-KSEOMHKRSA-N 1 0 388.471 3.635 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@@H]4[C@@H](CCN4Cc4nccs4)C3)c[nH]c21 ZINC001139704994 1026550044 /nfs/dbraw/zinc/55/00/44/1026550044.db2.gz IMJKBSBXFBGSDQ-QFBILLFUSA-N 1 0 377.517 3.592 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H]2CSc3ccccc3O2)c(-c2ccc(C#N)cc2)n1 ZINC001202963596 1026560468 /nfs/dbraw/zinc/56/04/68/1026560468.db2.gz CFGQYHCVWDSTKC-SFHVURJKSA-N 1 0 376.485 3.602 20 30 GHEDRO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)c21 ZINC001139720965 1026562759 /nfs/dbraw/zinc/56/27/59/1026562759.db2.gz SYCKIURIRKMAFV-GOSISDBHSA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cnc4cccnc4c3)C2)CC1 ZINC001139741449 1026583133 /nfs/dbraw/zinc/58/31/33/1026583133.db2.gz UTBICEIBEUSSSI-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165089231 1026598266 /nfs/dbraw/zinc/59/82/66/1026598266.db2.gz UDWZUXGYZNDCRJ-QAPCUYQASA-N 1 0 388.849 3.862 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC001139865202 1026678936 /nfs/dbraw/zinc/67/89/36/1026678936.db2.gz BFDRTKFYXAKMQB-UHFFFAOYSA-N 1 0 390.531 3.593 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CCCC[NH2+]3)CC2)cc1F ZINC001165247665 1026679068 /nfs/dbraw/zinc/67/90/68/1026679068.db2.gz XHCOUMVLDHFBAO-UHFFFAOYSA-N 1 0 385.874 3.920 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)c1 ZINC001139877198 1026693302 /nfs/dbraw/zinc/69/33/02/1026693302.db2.gz AJTMYDKVWFYVTH-NRFANRHFSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1 ZINC001139877931 1026694470 /nfs/dbraw/zinc/69/44/70/1026694470.db2.gz ZEXWAYRGBOIGOS-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCCCC23CC[NH2+]CC3)cc1 ZINC001165340183 1026707601 /nfs/dbraw/zinc/70/76/01/1026707601.db2.gz MGPDZCVKPDPRRU-UHFFFAOYSA-N 1 0 383.883 3.906 20 30 GHEDRO N#Cc1ccc(Oc2nc(NCC3C[NH+](Cc4ccccc4)C3)ncc2F)cc1 ZINC001165442060 1026727886 /nfs/dbraw/zinc/72/78/86/1026727886.db2.gz HDDPUUFIPGYLKV-UHFFFAOYSA-N 1 0 389.434 3.824 20 30 GHEDRO N#Cc1cc(Cl)nc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001165477099 1026739326 /nfs/dbraw/zinc/73/93/26/1026739326.db2.gz DVFONVPNSBJGRX-PXNSSMCTSA-N 1 0 386.858 3.795 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc4c(cnn4C)c3)C2)CC1 ZINC001139948731 1026753741 /nfs/dbraw/zinc/75/37/41/1026753741.db2.gz MIRNWQYEYOLOSA-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)C1=O ZINC001140114105 1026895780 /nfs/dbraw/zinc/89/57/80/1026895780.db2.gz OYQFGJOYYGENIR-QFIPXVFZSA-N 1 0 398.510 3.878 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](N4Cc5c(cccc5F)C4=O)C3)c2c1 ZINC001140117787 1026900085 /nfs/dbraw/zinc/90/00/85/1026900085.db2.gz YPMSASBYBQHSLF-QGZVFWFLSA-N 1 0 388.446 3.799 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)c(F)c1 ZINC001140137743 1026911615 /nfs/dbraw/zinc/91/16/15/1026911615.db2.gz WBVHTYHNSSPFJO-RBBKRZOGSA-N 1 0 399.441 3.682 20 30 GHEDRO Cc1ccc(N(c2ncnc3c2CC[NH2+]CC3)c2[nH]ccc3ncc(C#N)c2-3)cc1 ZINC001166312785 1026972009 /nfs/dbraw/zinc/97/20/09/1026972009.db2.gz MTKIPJMNCDHUQL-UHFFFAOYSA-N 1 0 395.470 3.691 20 30 GHEDRO Cc1ccc(N(c2ncc(C#N)cc2Cl)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166312562 1026972073 /nfs/dbraw/zinc/97/20/73/1026972073.db2.gz OXIVDNPYZGWLGR-UHFFFAOYSA-N 1 0 390.878 3.863 20 30 GHEDRO Cc1c[nH+]c(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc1C ZINC001166456211 1027005668 /nfs/dbraw/zinc/00/56/68/1027005668.db2.gz UODVNRWZCCSCON-HSZRJFAPSA-N 1 0 376.504 3.694 20 30 GHEDRO N#Cc1cc2c(n(Cc3ccc(F)c(F)c3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001166550189 1027024777 /nfs/dbraw/zinc/02/47/77/1027024777.db2.gz XSRDSVZPIQMJCC-UHFFFAOYSA-N 1 0 391.421 3.605 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001166655578 1027050176 /nfs/dbraw/zinc/05/01/76/1027050176.db2.gz SGDYIQOBHSAXKJ-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[N@@H+](C)C[C@H]2CC)c1=S ZINC000840091751 1027175045 /nfs/dbraw/zinc/17/50/45/1027175045.db2.gz NWJHCWCDPMXUNW-QGZVFWFLSA-N 1 0 391.972 3.904 20 30 GHEDRO N#C[C@H]1CNCCN1Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC001210120685 1027346686 /nfs/dbraw/zinc/34/66/86/1027346686.db2.gz HEOVVKBQNZDHRN-AWEZNQCLSA-N 1 0 396.800 3.843 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(C#N)c2Br)cc1 ZINC001141866267 1027502114 /nfs/dbraw/zinc/50/21/14/1027502114.db2.gz WOPRXEFNNUUUDF-UHFFFAOYSA-N 1 0 388.265 3.513 20 30 GHEDRO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c(C)c1C ZINC001203727738 1027556099 /nfs/dbraw/zinc/55/60/99/1027556099.db2.gz XIAHQJXRJACPEV-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO N#Cc1cccc(C[N@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)c1 ZINC001203762579 1027583503 /nfs/dbraw/zinc/58/35/03/1027583503.db2.gz RZYMCRMKPWHZIX-OAQYLSRUSA-N 1 0 393.462 3.565 20 30 GHEDRO CC(C)(C)OC(=O)CC[NH+](CCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC001203763997 1027585629 /nfs/dbraw/zinc/58/56/29/1027585629.db2.gz SCAMBBAIARFFQL-UHFFFAOYSA-N 1 0 388.508 3.824 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC001203766413 1027588643 /nfs/dbraw/zinc/58/86/43/1027588643.db2.gz CPEFBLVEAVSPES-UHFFFAOYSA-N 1 0 375.900 3.881 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)ccc1OC(C)=O ZINC001203831094 1027640637 /nfs/dbraw/zinc/64/06/37/1027640637.db2.gz XUPJFAJXGYYFLR-LJQANCHMSA-N 1 0 380.444 3.536 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001210950308 1027715770 /nfs/dbraw/zinc/71/57/70/1027715770.db2.gz AWZLXACQJPFQIW-GOTSBHOMSA-N 1 0 398.595 3.758 20 30 GHEDRO CSc1nc(CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC001141943598 1027720832 /nfs/dbraw/zinc/72/08/32/1027720832.db2.gz BELUASNTECZFLU-JOCHJYFZSA-N 1 0 378.545 3.916 20 30 GHEDRO C=CC[NH+]1CCC(NC(=S)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000840728191 1027768118 /nfs/dbraw/zinc/76/81/18/1027768118.db2.gz UMLZBDNAWROHFU-ZDUSSCGKSA-N 1 0 382.371 3.625 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(OC)c3ccccc13)CC2 ZINC001203995357 1027793019 /nfs/dbraw/zinc/79/30/19/1027793019.db2.gz UDDCJDBBBUFWEY-UHFFFAOYSA-N 1 0 377.488 3.843 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@](C)(c2ccccc2)C1)C(C)C ZINC001211221628 1027842111 /nfs/dbraw/zinc/84/21/11/1027842111.db2.gz HLTFLZUSARQTQQ-GMAHTHKFSA-N 1 0 385.552 3.642 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)cc1 ZINC000840843559 1027875497 /nfs/dbraw/zinc/87/54/97/1027875497.db2.gz LRBFWWNQIKKCJI-OAHLLOKOSA-N 1 0 391.920 3.996 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000840972823 1028006904 /nfs/dbraw/zinc/00/69/04/1028006904.db2.gz VHPBFJADFGWQKA-HSZRJFAPSA-N 1 0 379.500 3.709 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000840972298 1028008235 /nfs/dbraw/zinc/00/82/35/1028008235.db2.gz JWUJZTSANJDMOB-QHCPKHFHSA-N 1 0 393.531 3.656 20 30 GHEDRO Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841182468 1028257555 /nfs/dbraw/zinc/25/75/55/1028257555.db2.gz GWWYQLPHFXAKFD-GUYCJALGSA-N 1 0 395.463 3.644 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccc(C(F)(F)F)cc1C#N ZINC001213896229 1028437638 /nfs/dbraw/zinc/43/76/38/1028437638.db2.gz PKKZDZTVGDGLGE-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000841595288 1028753998 /nfs/dbraw/zinc/75/39/98/1028753998.db2.gz FOINLBHDGIMHAH-HXUWFJFHSA-N 1 0 389.503 3.509 20 30 GHEDRO CSc1ccc(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1C#N ZINC001214693821 1028864445 /nfs/dbraw/zinc/86/44/45/1028864445.db2.gz RENKJGSVOKVNRH-UHFFFAOYSA-N 1 0 384.505 3.542 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001461462881 1069560576 /nfs/dbraw/zinc/56/05/76/1069560576.db2.gz WIRKNWZOKJREJS-HSZRJFAPSA-N 1 0 378.472 3.589 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2)s1 ZINC000841830594 1028970684 /nfs/dbraw/zinc/97/06/84/1028970684.db2.gz JODDDHTUBCCCNS-UHOSZYNNSA-N 1 0 380.517 3.556 20 30 GHEDRO CCc1nc(C(C)C)ccc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000842033191 1029035733 /nfs/dbraw/zinc/03/57/33/1029035733.db2.gz PJKKISPOFATLDQ-UHFFFAOYSA-N 1 0 396.535 3.566 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1nc(C#N)cs1 ZINC000842074901 1029056390 /nfs/dbraw/zinc/05/63/90/1029056390.db2.gz AYGKSJHSPKGPFC-OAHLLOKOSA-N 1 0 385.489 3.625 20 30 GHEDRO Cc1[nH+]c2cc(NCc3ccc(N(C)CCC#N)cc3)ccc2n1[C@H](C)CO ZINC000842218671 1029158720 /nfs/dbraw/zinc/15/87/20/1029158720.db2.gz XPTRYLJUYQJCQG-MRXNPFEDSA-N 1 0 377.492 3.860 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1cc(Cl)ccc1OC ZINC001461502955 1069580797 /nfs/dbraw/zinc/58/07/97/1069580797.db2.gz IXUQXFBPVNYKQQ-QGZVFWFLSA-N 1 0 380.271 3.837 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(COc3ccccc3)c2C)CC1 ZINC001215652620 1029328297 /nfs/dbraw/zinc/32/82/97/1029328297.db2.gz JMDVOYRUOGRKPB-UHFFFAOYSA-N 1 0 377.488 3.793 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)c[nH]c2c1 ZINC001142928783 1029709230 /nfs/dbraw/zinc/70/92/30/1029709230.db2.gz KNRYZIUEXFGVBR-UHFFFAOYSA-N 1 0 385.393 3.776 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c[nH]c2c1 ZINC001142929213 1029711003 /nfs/dbraw/zinc/71/10/03/1029711003.db2.gz ZYNDXMBLWNZRBI-UHFFFAOYSA-N 1 0 385.515 3.923 20 30 GHEDRO N#Cc1ccc(F)c(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1F ZINC001143170870 1029880866 /nfs/dbraw/zinc/88/08/66/1029880866.db2.gz LDGNQIYBLDNMKQ-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO COC(=O)c1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)c2c1 ZINC001143241624 1029939744 /nfs/dbraw/zinc/93/97/44/1029939744.db2.gz YAMYLBOHEXETFQ-HXUWFJFHSA-N 1 0 389.455 3.870 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC001143253096 1029949754 /nfs/dbraw/zinc/94/97/54/1029949754.db2.gz ITZGSISKSFJAAF-UHFFFAOYSA-N 1 0 392.381 3.753 20 30 GHEDRO Cc1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc(NC(=O)OC(C)(C)C)c1 ZINC000843410990 1029984382 /nfs/dbraw/zinc/98/43/82/1029984382.db2.gz IARCZQLNNFMRNQ-UHFFFAOYSA-N 1 0 392.463 3.546 20 30 GHEDRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)cc1OCCCC#N ZINC000843422506 1029996839 /nfs/dbraw/zinc/99/68/39/1029996839.db2.gz WXAOYPCVXWFZCQ-QHCPKHFHSA-N 1 0 380.488 3.644 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c([O-])c1 ZINC001222590790 1030215615 /nfs/dbraw/zinc/21/56/15/1030215615.db2.gz NGLUZJNJCLSEKI-QFIPXVFZSA-N 1 0 391.515 3.567 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)cn2)cc1 ZINC001222602296 1030228532 /nfs/dbraw/zinc/22/85/32/1030228532.db2.gz NCOMSQBFLBWPGV-QHCPKHFHSA-N 1 0 396.494 3.935 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(Cl)cc(C)cc3Cl)C2)C1=O ZINC001276895294 1030606565 /nfs/dbraw/zinc/60/65/65/1030606565.db2.gz RPKCTVBLXLJDGZ-LJQANCHMSA-N 1 0 381.303 3.829 20 30 GHEDRO C[N@@H+]1CCCn2nc(-c3nc(-c4cc(Cl)c(C#N)cc4Cl)no3)cc2C1 ZINC001217688945 1030611039 /nfs/dbraw/zinc/61/10/39/1030611039.db2.gz RQXVJVFCHPBJJY-UHFFFAOYSA-N 1 0 389.246 3.614 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1OCc1nc(-c2ccccc2OCc2ccccc2)no1 ZINC001217831914 1030658642 /nfs/dbraw/zinc/65/86/42/1030658642.db2.gz LZHUPXDWORWCFJ-HXUWFJFHSA-N 1 0 377.444 3.750 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC001217927369 1030674051 /nfs/dbraw/zinc/67/40/51/1030674051.db2.gz RNIBDHWWIXGXIY-WOJBJXKFSA-N 1 0 394.471 3.881 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CCCC[NH2+]C3)c(C#N)c2)nc1C ZINC001217970187 1030696111 /nfs/dbraw/zinc/69/61/11/1030696111.db2.gz JBSXLRYPUUJWKI-MRXNPFEDSA-N 1 0 385.489 3.688 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217971469 1030697457 /nfs/dbraw/zinc/69/74/57/1030697457.db2.gz UVXIIEJDGXCCAF-FSLLGGKJSA-N 1 0 379.504 3.841 20 30 GHEDRO Cc1nc(NC(=O)NCC#CC[NH+](C)C)sc1Cc1ccc(Cl)cc1F ZINC001217990941 1030707977 /nfs/dbraw/zinc/70/79/77/1030707977.db2.gz LZJUFMHXKOLRGJ-UHFFFAOYSA-N 1 0 394.903 3.521 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3C[NH2+]CC[C@H]3C)c2)cc1OC ZINC001218042968 1030738986 /nfs/dbraw/zinc/73/89/86/1030738986.db2.gz BNHUDZLOESMFHI-JVNGMVMPSA-N 1 0 381.472 3.977 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001223765494 1030743301 /nfs/dbraw/zinc/74/33/01/1030743301.db2.gz MRVUGTCCNHHOAR-VGSWGCGISA-N 1 0 378.472 3.772 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[NH2+][C@H](C)C3)c(C#N)c2)nc1C ZINC001218063307 1030751457 /nfs/dbraw/zinc/75/14/57/1030751457.db2.gz YHZYCSARMNQAJD-WBMJQRKESA-N 1 0 385.489 3.686 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001223833615 1030774431 /nfs/dbraw/zinc/77/44/31/1030774431.db2.gz ZTHIHEBNBUWKHG-CTNGQTDRSA-N 1 0 387.568 3.865 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC001218184497 1030811345 /nfs/dbraw/zinc/81/13/45/1030811345.db2.gz JVDDGKKHFYMEJR-URLYPYJESA-N 1 0 386.087 3.745 20 30 GHEDRO COc1ccccc1-n1nc(O[C@H]2C[NH2+]C[C@H]2C#N)cc1-c1ccc(Cl)cc1 ZINC001218205758 1030829607 /nfs/dbraw/zinc/82/96/07/1030829607.db2.gz YVLZWZKMBREYSH-QRWLVFNGSA-N 1 0 394.862 3.692 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)cc2)C=C1 ZINC001218327434 1030895873 /nfs/dbraw/zinc/89/58/73/1030895873.db2.gz SSFFQBLGIVBFRU-VEXUSMLFSA-N 1 0 385.463 3.876 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@H](C)[NH2+]C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218406434 1030924047 /nfs/dbraw/zinc/92/40/47/1030924047.db2.gz JCQUNQHIVCJJBF-ODQBSRQPSA-N 1 0 383.444 3.522 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC001218413783 1030929904 /nfs/dbraw/zinc/92/99/04/1030929904.db2.gz IZLWDYKVZOFEFI-ZXTXZIRISA-N 1 0 397.471 3.682 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)NCC#C[C@@H]1CCCCO1)C1CCCCC1 ZINC001224245578 1030939381 /nfs/dbraw/zinc/93/93/81/1030939381.db2.gz WLLGHIQETHZFER-QHCPKHFHSA-N 1 0 397.563 3.823 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c(O)c1 ZINC001218458881 1030945370 /nfs/dbraw/zinc/94/53/70/1030945370.db2.gz AEVQXHPGCJBSAU-WRWLIDTKSA-N 1 0 391.508 3.992 20 30 GHEDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001218483359 1030955358 /nfs/dbraw/zinc/95/53/58/1030955358.db2.gz XBDVJWNVPIQWID-JGEDAYMUSA-N 1 0 379.504 3.697 20 30 GHEDRO CCCc1nc2cc(C(=O)Nc3sc4c(c3C#N)CC[NH2+]C4)cc(C)c2[nH]1 ZINC001218556252 1030985679 /nfs/dbraw/zinc/98/56/79/1030985679.db2.gz ROLIQVLYSPYEOI-UHFFFAOYSA-N 1 0 379.489 3.655 20 30 GHEDRO CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2C#N)cc1 ZINC001218895968 1031136208 /nfs/dbraw/zinc/13/62/08/1031136208.db2.gz WYNPKFUQNAHNTI-JOCHJYFZSA-N 1 0 390.531 3.788 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)c(C)c1C ZINC001277026171 1031315326 /nfs/dbraw/zinc/31/53/26/1031315326.db2.gz LWUSDGUVPZRKJO-QZTJIDSGSA-N 1 0 377.326 3.817 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]([NH3+])Cc1cscn1 ZINC001219483329 1031450199 /nfs/dbraw/zinc/45/01/99/1031450199.db2.gz UPAZSRPKMIJGFC-HNNXBMFYSA-N 1 0 377.973 3.534 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)C(F)(F)F)CCC[NH2+]1 ZINC001219491010 1031454939 /nfs/dbraw/zinc/45/49/39/1031454939.db2.gz HSEZJFZFPWHZLP-OAHLLOKOSA-N 1 0 392.299 3.534 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)C(F)(F)F)C1 ZINC001219491624 1031456760 /nfs/dbraw/zinc/45/67/60/1031456760.db2.gz UVDMQCUCYRYDHK-AWEZNQCLSA-N 1 0 380.288 3.697 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001219912072 1031689381 /nfs/dbraw/zinc/68/93/81/1031689381.db2.gz MCCSGTRJRBFVIL-KRWDZBQOSA-N 1 0 382.430 3.679 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)cccc3SC)CC2)C1=O ZINC001277108978 1031860124 /nfs/dbraw/zinc/86/01/24/1031860124.db2.gz YACCTWHCWFDWIH-FQEVSTJZSA-N 1 0 376.953 3.900 20 30 GHEDRO C#CCCCCC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001461828978 1069775435 /nfs/dbraw/zinc/77/54/35/1069775435.db2.gz HFNKUUZQDYUGQK-QGZVFWFLSA-N 1 0 377.326 3.852 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC001220521031 1031974059 /nfs/dbraw/zinc/97/40/59/1031974059.db2.gz OHLIJMCZMXAQNT-REWPJTCUSA-N 1 0 398.595 3.758 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC001220545430 1031984411 /nfs/dbraw/zinc/98/44/11/1031984411.db2.gz ZLSWQFYIUHQOES-INIZCTEOSA-N 1 0 392.341 3.732 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC001220663895 1032050408 /nfs/dbraw/zinc/05/04/08/1032050408.db2.gz QMLBMQAPQDCWAV-DJPFJPOOSA-N 1 0 399.560 3.655 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-c3ccc(OCCC[NH+](C)C)nc3)nn2)cc1 ZINC001205198304 1033295744 /nfs/dbraw/zinc/29/57/44/1033295744.db2.gz LMCQUCXSLYRWOP-HXUWFJFHSA-N 1 0 387.487 3.833 20 30 GHEDRO C[N@@H+]1CCC[C@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001229207474 1033342365 /nfs/dbraw/zinc/34/23/65/1033342365.db2.gz HHNRJPSIKJOVSS-IXGURIBZSA-N 1 0 381.428 3.577 20 30 GHEDRO CC[N@@H+]1CCC[C@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001229211490 1033347338 /nfs/dbraw/zinc/34/73/38/1033347338.db2.gz BZUBGTCUCYQDFE-SJJOQSKNSA-N 1 0 381.428 3.577 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)ccc1F ZINC001205467806 1033425609 /nfs/dbraw/zinc/42/56/09/1033425609.db2.gz XJLYGGLWPNNSJE-IRLDBZIGSA-N 1 0 381.451 3.542 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H](C)C[N+](C)(C)C)c(C#N)c2)nc1C ZINC001229533889 1033544422 /nfs/dbraw/zinc/54/44/22/1033544422.db2.gz OTLXWDXOOYXNEO-CYBMUJFWSA-N 1 0 388.513 3.640 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC001205727700 1033549430 /nfs/dbraw/zinc/54/94/30/1033549430.db2.gz DORQWCNBLBCCFI-UHFFFAOYSA-N 1 0 399.466 3.862 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(-n2nc(C3CC[NH2+]CC3)c3ccccc32)n1 ZINC001157376278 1033560735 /nfs/dbraw/zinc/56/07/35/1033560735.db2.gz PWBKRIWKLBDYCG-UHFFFAOYSA-N 1 0 384.896 3.529 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157425899 1033579738 /nfs/dbraw/zinc/57/97/38/1033579738.db2.gz LEHDENCULOEVCF-HNNXBMFYSA-N 1 0 376.838 3.910 20 30 GHEDRO COc1cc(OC)c(C[C@@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)c(OC)c1 ZINC001205882885 1033619279 /nfs/dbraw/zinc/61/92/79/1033619279.db2.gz ODPCZDDCNPCVPP-NEAIJXHWSA-N 1 0 380.488 3.857 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cnc(OC)c(Cl)c3)CC2)C1=O ZINC001277409952 1033641072 /nfs/dbraw/zinc/64/10/72/1033641072.db2.gz CJQFWEKSWLHRSR-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N(c1cnccn1)C1CC[NH2+]CC1 ZINC001157545134 1033650269 /nfs/dbraw/zinc/65/02/69/1033650269.db2.gz XHQIZLOFKUUAQB-UHFFFAOYSA-N 1 0 382.830 3.579 20 30 GHEDRO O=C1c2ccccc2C(Nc2nc(Cl)nc3c2C[NH2+]CC3)=C1c1ccccc1 ZINC001157617896 1033695202 /nfs/dbraw/zinc/69/52/02/1033695202.db2.gz FYJQUUNUAGUXPC-UHFFFAOYSA-N 1 0 388.858 3.952 20 30 GHEDRO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157645128 1033703365 /nfs/dbraw/zinc/70/33/65/1033703365.db2.gz HKXWZWFUACROFL-LADGPHEKSA-N 1 0 384.483 3.674 20 30 GHEDRO N#Cc1ccc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001157658642 1033707598 /nfs/dbraw/zinc/70/75/98/1033707598.db2.gz VPMQYPFTUJHLGV-UHFFFAOYSA-N 1 0 376.504 3.603 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(C3(Cc4cccc(F)c4)CC[NH2+]CC3)n2)c1 ZINC001206135694 1033735428 /nfs/dbraw/zinc/73/54/28/1033735428.db2.gz ZUOSMROVNLEPND-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO C[C@H]1[C@H]([NH3+])CCCN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001157749269 1033751969 /nfs/dbraw/zinc/75/19/69/1033751969.db2.gz XVKPEKUUQBRRGL-XHDPSFHLSA-N 1 0 377.826 3.530 20 30 GHEDRO COc1cc(O[C@@H]2C[NH+]3CCC2CC3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001230165702 1033926709 /nfs/dbraw/zinc/92/67/09/1033926709.db2.gz BOGLFUGFJBDADY-DXSBJVNVSA-N 1 0 379.456 3.770 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)C12CCOCC2 ZINC001206695079 1033948177 /nfs/dbraw/zinc/94/81/77/1033948177.db2.gz XAXITUHIEBJOJS-IAGOWNOFSA-N 1 0 377.529 3.512 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC001206735108 1033962200 /nfs/dbraw/zinc/96/22/00/1033962200.db2.gz MWMKYVLEVNCRNF-UHFFFAOYSA-N 1 0 393.506 3.715 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1-n1ncc2c1cccc2C[NH3+] ZINC001158312683 1034016026 /nfs/dbraw/zinc/01/60/26/1034016026.db2.gz KICJHQMSLYLSGB-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(C)cc(Br)c3)CC2)C1=O ZINC001276512399 1034135587 /nfs/dbraw/zinc/13/55/87/1034135587.db2.gz WGWFGVYRXPQMAJ-HXUWFJFHSA-N 1 0 389.337 3.595 20 30 GHEDRO CCOC(=O)C1(Nc2nc3ccc(C)cc3c(Cl)c2C#N)CC[NH+](C)CC1 ZINC001158575075 1034161703 /nfs/dbraw/zinc/16/17/03/1034161703.db2.gz TUADAUCZTLOKLG-UHFFFAOYSA-N 1 0 386.883 3.508 20 30 GHEDRO C=CCN(CC[NH+]1CCC2(CC1)OCCc1ccccc12)C(=O)OC(C)(C)C ZINC001207203901 1034172135 /nfs/dbraw/zinc/17/21/35/1034172135.db2.gz UGAAPVBCASBOTR-UHFFFAOYSA-N 1 0 386.536 3.974 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(Oc3ccccc3C#N)CC2)C1 ZINC001207216902 1034184516 /nfs/dbraw/zinc/18/45/16/1034184516.db2.gz VCMGLOCWUHNXIU-QGZVFWFLSA-N 1 0 385.508 3.658 20 30 GHEDRO CCOC(=O)[C@@H](C)Oc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001230891666 1034274969 /nfs/dbraw/zinc/27/49/69/1034274969.db2.gz UFRKTVWNQBBRDN-VGSWGCGISA-N 1 0 394.471 3.542 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCCc4ccccc4F)C3)CC2=O)c1 ZINC001207493235 1034398295 /nfs/dbraw/zinc/39/82/95/1034398295.db2.gz JWLOCRLXWXCGJK-QHCPKHFHSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277487390 1034403598 /nfs/dbraw/zinc/40/35/98/1034403598.db2.gz IQUBXYTXBCHIHE-QGZVFWFLSA-N 1 0 385.817 3.731 20 30 GHEDRO N#Cc1cc(Nc2ccnc3ccc(Br)cc32)cc(C2C[NH2+]C2)c1 ZINC001159215896 1034489228 /nfs/dbraw/zinc/48/92/28/1034489228.db2.gz UZXMLPSPTJULBF-UHFFFAOYSA-N 1 0 379.261 3.721 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1F ZINC001207631940 1034498476 /nfs/dbraw/zinc/49/84/76/1034498476.db2.gz VBRDTYGUNOPGBC-QFBILLFUSA-N 1 0 382.483 3.856 20 30 GHEDRO Cc1c(Br)cccc1CN1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001277511274 1034551264 /nfs/dbraw/zinc/55/12/64/1034551264.db2.gz ZDVMZBZTJVVKGV-IBGZPJMESA-N 1 0 390.325 3.628 20 30 GHEDRO COC(=O)c1ccc(C(F)(F)F)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159438982 1034594682 /nfs/dbraw/zinc/59/46/82/1034594682.db2.gz XCHQDGRXWAKXAK-UHFFFAOYSA-N 1 0 375.350 3.794 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207823609 1034601186 /nfs/dbraw/zinc/60/11/86/1034601186.db2.gz UBPKIXWRYIWRHE-SMLCLMEVSA-N 1 0 383.483 3.891 20 30 GHEDRO N#Cc1cc(Nc2ccc(F)cc2I)cc(C2C[NH2+]C2)c1 ZINC001159478026 1034613298 /nfs/dbraw/zinc/61/32/98/1034613298.db2.gz FUAYDUGAVTZHRG-UHFFFAOYSA-N 1 0 393.203 3.732 20 30 GHEDRO N#Cc1cnc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(F)c1 ZINC001159518945 1034634776 /nfs/dbraw/zinc/63/47/76/1034634776.db2.gz AYVXGUJGCOASEZ-NRFANRHFSA-N 1 0 390.462 3.568 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])n1 ZINC001159592227 1034683167 /nfs/dbraw/zinc/68/31/67/1034683167.db2.gz NOVPBCMHPLQQIR-DTZICQQMSA-N 1 0 388.884 3.532 20 30 GHEDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3ccccc3C#Cc3ccccc3)C[C@H]2C1 ZINC001231577710 1034728825 /nfs/dbraw/zinc/72/88/25/1034728825.db2.gz ZRRNHMGWOHIUOB-JOZNFPNDSA-N 1 0 384.523 3.823 20 30 GHEDRO N#Cc1cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c(Br)cc1F ZINC001159753497 1034733086 /nfs/dbraw/zinc/73/30/86/1034733086.db2.gz TZLDQEYTDRNEPW-UHFFFAOYSA-N 1 0 389.272 3.609 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001231619569 1034777194 /nfs/dbraw/zinc/77/71/94/1034777194.db2.gz XLFNQVWHRZQGDR-UHFFFAOYSA-N 1 0 376.485 3.686 20 30 GHEDRO C=CCOc1cccc(CN2Cc3ncn(CC4CC4)c3[C@@H](COCC)C2)c1 ZINC001231621635 1034779066 /nfs/dbraw/zinc/77/90/66/1034779066.db2.gz GIVGOSSNEXJLKY-HXUWFJFHSA-N 1 0 381.520 3.994 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001231623487 1034782921 /nfs/dbraw/zinc/78/29/21/1034782921.db2.gz GECSNFKUUSOVNX-XMMPIXPASA-N 1 0 387.483 3.752 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1C#N ZINC001159979620 1034811448 /nfs/dbraw/zinc/81/14/48/1034811448.db2.gz KCCKYHDVGHKUMD-INIZCTEOSA-N 1 0 386.565 3.793 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(C[C@H](NC(=O)NC)c4ccc(C)cc43)CC2)c1 ZINC001231656586 1034813732 /nfs/dbraw/zinc/81/37/32/1034813732.db2.gz BGLMDPVIVGMKBI-QHCPKHFHSA-N 1 0 387.527 3.884 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1(c3ccccc3)CCOCC1)CCO2 ZINC001208225497 1034814606 /nfs/dbraw/zinc/81/46/06/1034814606.db2.gz ACFDBPZXTVDJJA-LADGPHEKSA-N 1 0 385.548 3.809 20 30 GHEDRO N#Cc1cc(Nc2cc(I)ccc2F)cc(C2C[NH2+]C2)c1 ZINC001160033945 1034838263 /nfs/dbraw/zinc/83/82/63/1034838263.db2.gz AKOATQZXPSFBGO-UHFFFAOYSA-N 1 0 393.203 3.732 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1OC(C)=O ZINC001231711860 1034854207 /nfs/dbraw/zinc/85/42/07/1034854207.db2.gz NLDLGOVUJFARDV-FQEVSTJZSA-N 1 0 380.444 3.536 20 30 GHEDRO N#CC1(NC(F)(F)Oc2ccc(Cl)nc2)CCN(Cc2ccccc2)CC1 ZINC001160099823 1034859294 /nfs/dbraw/zinc/85/92/94/1034859294.db2.gz IDKQAYGKDOLLMU-UHFFFAOYSA-N 1 0 392.837 3.812 20 30 GHEDRO COC(OC)c1cc(C)cnc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160107401 1034863484 /nfs/dbraw/zinc/86/34/84/1034863484.db2.gz NARYIDQTLPEWLD-UHFFFAOYSA-N 1 0 380.492 3.652 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(-n2cc3ccc(C[NH3+])cc3n2)cc1F ZINC001160140481 1034877665 /nfs/dbraw/zinc/87/76/65/1034877665.db2.gz OUFFUNYBHVIQBU-UHFFFAOYSA-N 1 0 378.798 3.605 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3c4ccccc4OC[C@@H]3C[NH3+])nc2)cc1 ZINC001160199096 1034899369 /nfs/dbraw/zinc/89/93/69/1034899369.db2.gz FMXDJHDPFVWVOK-IBGZPJMESA-N 1 0 386.455 3.584 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001160205236 1034900972 /nfs/dbraw/zinc/90/09/72/1034900972.db2.gz BIOJOFFXHUNYJZ-AWEZNQCLSA-N 1 0 393.834 3.652 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(F)c(C)c3Cl)C2)C1=O ZINC001277565957 1034906122 /nfs/dbraw/zinc/90/61/22/1034906122.db2.gz BDPBVPSNZKGWOK-FQEVSTJZSA-N 1 0 378.875 3.705 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC001231817168 1034926654 /nfs/dbraw/zinc/92/66/54/1034926654.db2.gz WWPXAIZFSHCQPC-AUSIDOKSSA-N 1 0 398.551 3.916 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc1 ZINC001231819191 1034927150 /nfs/dbraw/zinc/92/71/50/1034927150.db2.gz ZOKDCTHYKXTKFS-LJQANCHMSA-N 1 0 384.524 3.526 20 30 GHEDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231818727 1034927575 /nfs/dbraw/zinc/92/75/75/1034927575.db2.gz DSISCAJKFLHHRH-OAQYLSRUSA-N 1 0 385.552 3.692 20 30 GHEDRO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231820619 1034928286 /nfs/dbraw/zinc/92/82/86/1034928286.db2.gz QFILXIOIIMFXNY-HKUYNNGSSA-N 1 0 386.540 3.914 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc(F)c(C)c3)C[C@@H]2c2ccccc2)C1=O ZINC001231924507 1034994026 /nfs/dbraw/zinc/99/40/26/1034994026.db2.gz IYHGNPKHCNRBRP-OFNKIYASSA-N 1 0 379.479 3.533 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cnc1F ZINC001231927173 1034994832 /nfs/dbraw/zinc/99/48/32/1034994832.db2.gz OTZMYVCDQFKIPA-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO CC(C)C[C@@](C)([NH3+])C(=O)N1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001160552861 1035000978 /nfs/dbraw/zinc/00/09/78/1035000978.db2.gz WLLNBQIZVMRUEH-GOSISDBHSA-N 1 0 392.341 3.596 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001160742147 1035052312 /nfs/dbraw/zinc/05/23/12/1035052312.db2.gz MGEJDTHLXBFBLR-FQEVSTJZSA-N 1 0 392.890 3.700 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)cc1Cl ZINC001160751160 1035055288 /nfs/dbraw/zinc/05/52/88/1035055288.db2.gz ROTVSLZMATWPKE-UHFFFAOYSA-N 1 0 389.927 3.881 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](CCCc4cccc(C#N)c4)C3)CC2=O)cc1 ZINC001208852263 1035058411 /nfs/dbraw/zinc/05/84/11/1035058411.db2.gz YDHXXPIJYNWIFD-DEOSSOPVSA-N 1 0 389.499 3.628 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC001208853279 1035059392 /nfs/dbraw/zinc/05/93/92/1035059392.db2.gz GUJWDZLKWWMZFP-UHFFFAOYSA-N 1 0 389.425 3.512 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208863077 1035066108 /nfs/dbraw/zinc/06/61/08/1035066108.db2.gz VRSHDIDASZYPFS-UHFFFAOYSA-N 1 0 375.472 3.915 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCCc1ccc(C(=O)OCC)cc1)C2 ZINC001208870354 1035069007 /nfs/dbraw/zinc/06/90/07/1035069007.db2.gz JFAHFQFXSNYHAW-JTHBVZDNSA-N 1 0 387.520 3.622 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908193 1035084765 /nfs/dbraw/zinc/08/47/65/1035084765.db2.gz KDKOIXYQRREVLL-RPWUZVMVSA-N 1 0 384.564 3.977 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)cc1 ZINC001208922954 1035090244 /nfs/dbraw/zinc/09/02/44/1035090244.db2.gz LVSUUIHYQQQLTR-JOCHJYFZSA-N 1 0 391.515 3.693 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)cc1 ZINC001208927334 1035092858 /nfs/dbraw/zinc/09/28/58/1035092858.db2.gz XYBWZBQNVMILIG-QFIPXVFZSA-N 1 0 390.531 3.733 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001160920752 1035094439 /nfs/dbraw/zinc/09/44/39/1035094439.db2.gz RZFJRPBKMLKVTQ-HBMCJLEFSA-N 1 0 386.536 3.788 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001160950521 1035103265 /nfs/dbraw/zinc/10/32/65/1035103265.db2.gz FEEZHRUIMZAGOG-HOYKHHGWSA-N 1 0 398.510 3.920 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccc(C#N)c(Cl)c4)CC[N@@H+]3C2)cc1 ZINC001232120543 1035107770 /nfs/dbraw/zinc/10/77/70/1035107770.db2.gz URYZBWIBRREBOA-PZJWPPBQSA-N 1 0 381.907 3.858 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ncc(C)cc1Br)CC2 ZINC001232175751 1035145775 /nfs/dbraw/zinc/14/57/75/1035145775.db2.gz MFEXJMLRGSORQF-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCN(CC[N@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001209020560 1035152390 /nfs/dbraw/zinc/15/23/90/1035152390.db2.gz JYBZWZUSEIZDHU-UHFFFAOYSA-N 1 0 397.560 3.741 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232224729 1035171210 /nfs/dbraw/zinc/17/12/10/1035171210.db2.gz QYIYWBSGJRZDDZ-GOSISDBHSA-N 1 0 376.460 3.660 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CCCCCCC(=O)OCC)C2)C1 ZINC001209345148 1035247084 /nfs/dbraw/zinc/24/70/84/1035247084.db2.gz CJYRVFLXQYIGNI-OAQYLSRUSA-N 1 0 380.529 3.611 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209370270 1035257341 /nfs/dbraw/zinc/25/73/41/1035257341.db2.gz KNFVADDBRHYVAV-KNQAVFIVSA-N 1 0 396.572 3.755 20 30 GHEDRO C=CCCCCCC[N@H+]1CCC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 ZINC001209440787 1035274452 /nfs/dbraw/zinc/27/44/52/1035274452.db2.gz OAJNAYRNSXROFD-ROUUACIJSA-N 1 0 382.545 3.901 20 30 GHEDRO C=CCCCCCCC[N@H+]1CC[C@]2(C1)NC(=O)N(Cc1ccc(OC)cc1)C2=O ZINC001209442874 1035274999 /nfs/dbraw/zinc/27/49/99/1035274999.db2.gz YOSBLQLAGFYNMS-HSZRJFAPSA-N 1 0 399.535 3.718 20 30 GHEDRO Cc1ccc2[nH]cc(C[N@@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c2c1 ZINC001209494416 1035292378 /nfs/dbraw/zinc/29/23/78/1035292378.db2.gz XDSAJWUBBYNJEC-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC001161884967 1035321351 /nfs/dbraw/zinc/32/13/51/1035321351.db2.gz DFLZAUPWEDMAPF-FVUPAENESA-N 1 0 391.928 3.737 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)C1=O ZINC001276656030 1035325510 /nfs/dbraw/zinc/32/55/10/1035325510.db2.gz DSEITNMEUTWESC-QGZVFWFLSA-N 1 0 383.717 3.713 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(N3CCCC3)nc1)CC2 ZINC001209621812 1035333754 /nfs/dbraw/zinc/33/37/54/1035333754.db2.gz FWFNSSGLSLQFLS-UHFFFAOYSA-N 1 0 398.551 3.682 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C1 ZINC001209622557 1035334082 /nfs/dbraw/zinc/33/40/82/1035334082.db2.gz ZONFNVPLLGMIKI-UHFFFAOYSA-N 1 0 398.551 3.682 20 30 GHEDRO CCOc1ccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)cc1Cl ZINC001248154346 1035580425 /nfs/dbraw/zinc/58/04/25/1035580425.db2.gz FGTFTELPHKENQL-MRXNPFEDSA-N 1 0 382.851 3.773 20 30 GHEDRO C[NH+]1CCN(CCNc2ccc(-c3ccccc3C#C[Si](C)(C)C)cn2)CC1 ZINC001241559546 1035621843 /nfs/dbraw/zinc/62/18/43/1035621843.db2.gz APMUVRRJNYRJKC-UHFFFAOYSA-N 1 0 392.623 3.637 20 30 GHEDRO C=CCOc1ccc(-c2noc(C[C@@H]([NH3+])[C@@H](C)OCc3ccccc3)n2)c(F)c1 ZINC001248209337 1035640541 /nfs/dbraw/zinc/64/05/41/1035640541.db2.gz SUBDRENDHVSIRJ-FOIQADDNSA-N 1 0 397.450 3.916 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001248406737 1035822577 /nfs/dbraw/zinc/82/25/77/1035822577.db2.gz GHYYXEAIEXBQLH-IFPLKCGESA-N 1 0 379.548 3.778 20 30 GHEDRO C#CCN1CCC[C@H](NC(=O)N(Cc2ccccc2)Cc2ccccc2C)C1 ZINC001248676153 1036045529 /nfs/dbraw/zinc/04/55/29/1036045529.db2.gz KSTOKHIBIOFWNE-QHCPKHFHSA-N 1 0 375.516 3.804 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC001248748191 1036105848 /nfs/dbraw/zinc/10/58/48/1036105848.db2.gz ABFBNYCJTGALHV-UHFFFAOYSA-N 1 0 385.309 3.600 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1C[C@@H](OCc2csc(C)n2)[C@H]2OCCC[C@H]21 ZINC001248750521 1036108067 /nfs/dbraw/zinc/10/80/67/1036108067.db2.gz MBMBCKNLTLINHC-VSKRKVRLSA-N 1 0 397.544 3.834 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2nccc(-c3cc(C#N)c(F)cc3F)n2)c1 ZINC001243747971 1036266847 /nfs/dbraw/zinc/26/68/47/1036266847.db2.gz FPRJUOKGRSDKAM-UHFFFAOYSA-N 1 0 380.398 3.901 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245406609 1036910665 /nfs/dbraw/zinc/91/06/65/1036910665.db2.gz DWFYNZNNSUFYAL-UHFFFAOYSA-N 1 0 392.503 3.873 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@H]([NH+]3CCCCC3)C2)cc1C(F)(F)F ZINC001245757294 1036989986 /nfs/dbraw/zinc/98/99/86/1036989986.db2.gz JIOGGTJOICLHKA-HNNXBMFYSA-N 1 0 382.455 3.834 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001245902000 1037047972 /nfs/dbraw/zinc/04/79/72/1037047972.db2.gz CIUBACCYEKWCOY-UHFFFAOYSA-N 1 0 376.529 3.853 20 30 GHEDRO Cc1ccc(C[NH+]2CCC(NC(=S)Nc3ccc(C#N)cc3)CC2)c(F)c1 ZINC001245951011 1037075073 /nfs/dbraw/zinc/07/50/73/1037075073.db2.gz SDEVKIBKCNQVNT-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@H](O)CN[C@]1(C#N)CC[NH2+]C1 ZINC001245983020 1037107181 /nfs/dbraw/zinc/10/71/81/1037107181.db2.gz QROKZBJOBWQANM-YADHBBJMSA-N 1 0 381.605 3.910 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])NC2CCC(c3ccc(OC(C)=O)cc3)CC2)cc1 ZINC001246306425 1037286989 /nfs/dbraw/zinc/28/69/89/1037286989.db2.gz VRUZQOMIRSVXRO-UHFFFAOYSA-N 1 0 394.471 3.830 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN(C1C[C@H](CC)[NH2+][C@@H](CC)C1)CC2 ZINC001246526545 1037458160 /nfs/dbraw/zinc/45/81/60/1037458160.db2.gz PADNLEZWHDEEEN-OALUTQOASA-N 1 0 377.573 3.796 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246844274 1037671507 /nfs/dbraw/zinc/67/15/07/1037671507.db2.gz LMAZNLGGIJNFGO-XPWALMASSA-N 1 0 375.516 3.765 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)CN1 ZINC001246893096 1037708914 /nfs/dbraw/zinc/70/89/14/1037708914.db2.gz ULPURKDKEBXHED-NMNUPHIUSA-N 1 0 391.515 3.805 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)CN1 ZINC001246893098 1037709445 /nfs/dbraw/zinc/70/94/45/1037709445.db2.gz ULPURKDKEBXHED-TZYHBYERSA-N 1 0 391.515 3.805 20 30 GHEDRO CCCCCCCCNC(=S)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001247142383 1037942412 /nfs/dbraw/zinc/94/24/12/1037942412.db2.gz PQEFXECNBKMJIR-UHFFFAOYSA-N 1 0 391.629 3.572 20 30 GHEDRO CCCCCCCCNC(=S)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001247146033 1037946111 /nfs/dbraw/zinc/94/61/11/1037946111.db2.gz HNEWOZCVHZZFRM-IFMALSPDSA-N 1 0 395.657 3.902 20 30 GHEDRO CCCCCCCCNC(=S)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001247176025 1037970207 /nfs/dbraw/zinc/97/02/07/1037970207.db2.gz FQYOXHYFFVOJBZ-UHFFFAOYSA-N 1 0 383.646 3.950 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)ccc1OCC)C2 ZINC001232383417 1038161341 /nfs/dbraw/zinc/16/13/41/1038161341.db2.gz SYZSIILDFPRTMB-FCHUYYIVSA-N 1 0 375.509 3.668 20 30 GHEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(-c3nc(C)c(C(=O)OCC)s3)ccc2O)C1 ZINC001232454168 1038237772 /nfs/dbraw/zinc/23/77/72/1038237772.db2.gz XEWYFUVKWVDXKC-HNNXBMFYSA-N 1 0 384.501 3.846 20 30 GHEDRO N#Cc1ccnc(C[NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)c1 ZINC001232478554 1038261032 /nfs/dbraw/zinc/26/10/32/1038261032.db2.gz NRLSXJFDVWSKDF-UHFFFAOYSA-N 1 0 398.510 3.506 20 30 GHEDRO C=C[C@@H]1C[C@]1(N)c1nc(-c2ccc(Br)c(OC(F)(F)F)c2)no1 ZINC001247621662 1038278771 /nfs/dbraw/zinc/27/87/71/1038278771.db2.gz UQOKCRQNIXIBAS-AMIZOPFISA-N 1 0 390.159 3.758 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cccc(Br)c1N)C2 ZINC001232523814 1038287969 /nfs/dbraw/zinc/28/79/69/1038287969.db2.gz VACWARZQFNQFKL-PKOBYXMFSA-N 1 0 395.341 3.605 20 30 GHEDRO Fc1ccc(C#Cc2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)c(F)c1 ZINC001247727856 1038349578 /nfs/dbraw/zinc/34/95/78/1038349578.db2.gz PJILCPYTWNOSPW-UKTHLTGXSA-N 1 0 378.382 3.876 20 30 GHEDRO C=CCCCNC(=S)N(C)C[C@H]1CCCC[N@H+]1Cc1ccc(OC)cc1 ZINC001247739793 1038356732 /nfs/dbraw/zinc/35/67/32/1038356732.db2.gz TZEOBPGZOXLKPU-LJQANCHMSA-N 1 0 375.582 3.822 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C(=O)OCC)cc3Cl)C2)C1=O ZINC001232589649 1038361560 /nfs/dbraw/zinc/36/15/60/1038361560.db2.gz ANYYCKUJUZZDCX-OAQYLSRUSA-N 1 0 390.911 3.517 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@]45CCCO[C@@H]4CC[NH2+]C5)n3)cc2)cc1 ZINC001247894758 1038466474 /nfs/dbraw/zinc/46/64/74/1038466474.db2.gz FOGBGWLKHMPZMQ-NFBKMPQASA-N 1 0 386.455 3.685 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C3CCN(C4CC[NH2+]CC4)CC3)n2)c(C#N)c1 ZINC001247909793 1038483824 /nfs/dbraw/zinc/48/38/24/1038483824.db2.gz RPRPYIRGCDKRJE-UHFFFAOYSA-N 1 0 393.535 3.837 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3CC[C@@]4(C3)C[NH2+]CCO4)n2)cc1Cl ZINC001247916023 1038491067 /nfs/dbraw/zinc/49/10/67/1038491067.db2.gz HWTIXAMAAXFGMX-DYZYQPBXSA-N 1 0 379.247 3.541 20 30 GHEDRO CC(C)(O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1 ZINC001232828533 1038580921 /nfs/dbraw/zinc/58/09/21/1038580921.db2.gz OCIHXDACPOCTAN-UHFFFAOYSA-N 1 0 385.895 3.877 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)s1 ZINC001232843577 1038594685 /nfs/dbraw/zinc/59/46/85/1038594685.db2.gz RBTUSOMDKGRKCQ-OAQYLSRUSA-N 1 0 385.508 3.878 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2ccc(Br)c(C#N)c2)cc(OC)c1 ZINC001232895175 1038687960 /nfs/dbraw/zinc/68/79/60/1038687960.db2.gz JCUZYQXJYQTFTL-UHFFFAOYSA-N 1 0 375.266 3.970 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(Br)c(C#N)c2)C[C@@H]1c1ccccc1 ZINC001232896828 1038690205 /nfs/dbraw/zinc/69/02/05/1038690205.db2.gz IAXBNNAWMACMBZ-MSOLQXFVSA-N 1 0 399.288 3.709 20 30 GHEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC001232927099 1038713863 /nfs/dbraw/zinc/71/38/63/1038713863.db2.gz QSQGEJZBXNKDIU-DEOSSOPVSA-N 1 0 396.494 3.757 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccc(C)cc2C#N)CC3)cs1 ZINC001232966055 1038740212 /nfs/dbraw/zinc/74/02/12/1038740212.db2.gz KTFLPVKPQXIRHD-OAQYLSRUSA-N 1 0 397.544 3.972 20 30 GHEDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cn1 ZINC001233007687 1038767297 /nfs/dbraw/zinc/76/72/97/1038767297.db2.gz YUCTVBIJYWBIPY-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001233079983 1038849676 /nfs/dbraw/zinc/84/96/76/1038849676.db2.gz RSWBVJYAUWDZHM-UHFFFAOYSA-N 1 0 393.506 3.873 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C#N)cc3C)O2)cs1 ZINC001233081570 1038850377 /nfs/dbraw/zinc/85/03/77/1038850377.db2.gz HCIKVKYGLLZCKD-YPAWHYETSA-N 1 0 397.544 3.970 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001233081644 1038852749 /nfs/dbraw/zinc/85/27/49/1038852749.db2.gz KDTUFDHLZQSTDJ-RUZDIDTESA-N 1 0 387.527 3.924 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@@H]1CC ZINC001252125805 1038871608 /nfs/dbraw/zinc/87/16/08/1038871608.db2.gz HASDMEQIZNJHHF-GIWBLDEGSA-N 1 0 396.616 3.980 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001252126915 1038876045 /nfs/dbraw/zinc/87/60/45/1038876045.db2.gz UTMNHCWDGJRPKJ-KAOXLYBCSA-N 1 0 390.568 3.942 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001252127726 1038876680 /nfs/dbraw/zinc/87/66/80/1038876680.db2.gz DPHIYSDJAZBIPH-XJUOHMSHSA-N 1 0 387.568 3.521 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001252137514 1038887259 /nfs/dbraw/zinc/88/72/59/1038887259.db2.gz YBTMWBGDFGSINI-VNTMZGSJSA-N 1 0 398.588 3.569 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C2CCOCC2)CC1 ZINC001252138671 1038889955 /nfs/dbraw/zinc/88/99/55/1038889955.db2.gz FMWFPTXIXHHSLN-NJDAHSKKSA-N 1 0 382.589 3.542 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1O ZINC001252372018 1038960304 /nfs/dbraw/zinc/96/03/04/1038960304.db2.gz CZWWZZRSOYPVEB-YPAWHYETSA-N 1 0 387.605 3.804 20 30 GHEDRO C=CCOC[C@@H](O)C[NH+]1CCC(c2c[nH]c3ccc(OC(F)(F)F)cc32)CC1 ZINC001252474200 1039000330 /nfs/dbraw/zinc/00/03/30/1039000330.db2.gz WIYMUPQIDOFFJY-HNNXBMFYSA-N 1 0 398.425 3.809 20 30 GHEDRO C=CCC[C@@H](O)CNc1cc(C)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252592165 1039039527 /nfs/dbraw/zinc/03/95/27/1039039527.db2.gz MPHRPHKUDASLAU-JOCHJYFZSA-N 1 0 382.552 3.843 20 30 GHEDRO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001252595567 1039040957 /nfs/dbraw/zinc/04/09/57/1039040957.db2.gz ITTNZYRMXRYBHJ-FQEVSTJZSA-N 1 0 394.515 3.596 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC001462331969 1070177982 /nfs/dbraw/zinc/17/79/82/1070177982.db2.gz JHOBHCRNJPLGBV-PXNSSMCTSA-N 1 0 380.488 3.967 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc5cccnc5s4)C3)CC2=O)c1 ZINC001233347713 1039162819 /nfs/dbraw/zinc/16/28/19/1039162819.db2.gz YKGWCZFSOOZRDF-JOCHJYFZSA-N 1 0 388.496 3.797 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001252988572 1039316002 /nfs/dbraw/zinc/31/60/02/1039316002.db2.gz HGZHELKJMRPAAK-UXHICEINSA-N 1 0 375.557 3.777 20 30 GHEDRO CCCC[C@H](CC)COC[C@@H](O)CNc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001252995449 1039323204 /nfs/dbraw/zinc/32/32/04/1039323204.db2.gz XLPWVXKBGWEAMM-HOTGVXAUSA-N 1 0 379.570 3.613 20 30 GHEDRO CCCC[C@@H](CC)COC[C@H](O)C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001253008304 1039336792 /nfs/dbraw/zinc/33/67/92/1039336792.db2.gz XEKYWXYOFWIXIE-TZIWHRDSSA-N 1 0 388.552 3.995 20 30 GHEDRO C=CCCCCCC[C@@H](O)CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001253236515 1039490991 /nfs/dbraw/zinc/49/09/91/1039490991.db2.gz DQIAQFDQPLACIX-TZIWHRDSSA-N 1 0 376.589 3.987 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001253236183 1039491428 /nfs/dbraw/zinc/49/14/28/1039491428.db2.gz AQTCDQIFLPYMKW-LADGPHEKSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001253236436 1039491632 /nfs/dbraw/zinc/49/16/32/1039491632.db2.gz CUPKDMQMTBFJBB-IFMALSPDSA-N 1 0 398.551 3.676 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001253239012 1039496523 /nfs/dbraw/zinc/49/65/23/1039496523.db2.gz VIZYOGOWPCHJSG-YADHBBJMSA-N 1 0 384.564 3.870 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2C)CC1 ZINC001253238863 1039496902 /nfs/dbraw/zinc/49/69/02/1039496902.db2.gz UEQGAZUHYAOLHX-FGZHOGPDSA-N 1 0 399.579 3.749 20 30 GHEDRO C=CCCCCCC[C@H](O)CNc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001253243728 1039499876 /nfs/dbraw/zinc/49/98/76/1039499876.db2.gz YDYGMCFITUVVSD-FQEVSTJZSA-N 1 0 375.557 3.746 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001253253165 1039504235 /nfs/dbraw/zinc/50/42/35/1039504235.db2.gz CNKHCXSKIZDYFS-GOSISDBHSA-N 1 0 386.492 3.517 20 30 GHEDRO N#Cc1cc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001233657506 1039513318 /nfs/dbraw/zinc/51/33/18/1039513318.db2.gz YJHZVBRRXGYVPU-LJQANCHMSA-N 1 0 376.378 3.857 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001253615068 1039724568 /nfs/dbraw/zinc/72/45/68/1039724568.db2.gz ZWCMUANILRKPHQ-BDTNDASRSA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1O ZINC001253614637 1039725830 /nfs/dbraw/zinc/72/58/30/1039725830.db2.gz RZQNZCHNWKQGLU-YPAWHYETSA-N 1 0 387.605 3.804 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC001253615233 1039726917 /nfs/dbraw/zinc/72/69/17/1039726917.db2.gz DNCCQBKTTKSCQN-QFIPXVFZSA-N 1 0 387.605 3.758 20 30 GHEDRO CCCCCCCC[N@H+](C)C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253869663 1039871513 /nfs/dbraw/zinc/87/15/13/1039871513.db2.gz LNCWHMXLUHLKTR-UXHICEINSA-N 1 0 380.483 3.799 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@@H]4C[C@@]5(CO4)CCCC[NH2+]5)nn3)cc2)cc1 ZINC001254066779 1039981379 /nfs/dbraw/zinc/98/13/79/1039981379.db2.gz FDINSXXMYHUSND-UKILVPOCSA-N 1 0 398.510 3.895 20 30 GHEDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccnc(Br)c2C#N)C1 ZINC001234426966 1040026275 /nfs/dbraw/zinc/02/62/75/1040026275.db2.gz MQGCSOYBHQIQJK-ZIAGYGMSSA-N 1 0 387.281 3.715 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001254203585 1040053496 /nfs/dbraw/zinc/05/34/96/1040053496.db2.gz YWPONCIAEDGHGB-XQBPLPMBSA-N 1 0 394.556 3.602 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC001234544145 1040115150 /nfs/dbraw/zinc/11/51/50/1040115150.db2.gz FANFFEAIBCFRQQ-OAQYLSRUSA-N 1 0 393.487 3.590 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254277763 1040125116 /nfs/dbraw/zinc/12/51/16/1040125116.db2.gz ZPVNSKMOMXQPIH-SFHVURJKSA-N 1 0 393.325 3.541 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H]1Cc3ccc(Br)cc3C1)CC2 ZINC001254280419 1040126721 /nfs/dbraw/zinc/12/67/21/1040126721.db2.gz SKGULDHPUJFDCJ-SFHVURJKSA-N 1 0 389.337 3.559 20 30 GHEDRO Cc1cc(C)nc(N2CC[NH+](C3CCC(C#N)(c4ccc(F)cc4)CC3)CC2)n1 ZINC001254355225 1040188591 /nfs/dbraw/zinc/18/85/91/1040188591.db2.gz BCMYELPOHHHDSK-UHFFFAOYSA-N 1 0 393.510 3.759 20 30 GHEDRO CC(=O)O/N=C(/C)c1ccccc1O[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001234846391 1040366998 /nfs/dbraw/zinc/36/69/98/1040366998.db2.gz MMSUMCWQGBONTQ-HCZZULNRSA-N 1 0 381.476 3.973 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)C1 ZINC001254595967 1040370036 /nfs/dbraw/zinc/37/00/36/1040370036.db2.gz ANAKPOOSEPMDLS-HXUWFJFHSA-N 1 0 399.491 3.563 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](C1CCN(c3ccc(F)cc3)CC1)CCC2 ZINC001254625551 1040401600 /nfs/dbraw/zinc/40/16/00/1040401600.db2.gz KBGIDKSAIVECGA-UHFFFAOYSA-N 1 0 384.499 3.600 20 30 GHEDRO COC(=O)C(C[NH2+][C@@H]1CC[C@H](C#N)C1)(Cc1ccccc1)Cc1ccccc1 ZINC001254647886 1040417678 /nfs/dbraw/zinc/41/76/78/1040417678.db2.gz WOIXZFCRJOZPSN-FCHUYYIVSA-N 1 0 376.500 3.913 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@@H]3CC[C@H](C#N)C3)ccc12 ZINC001254647095 1040418220 /nfs/dbraw/zinc/41/82/20/1040418220.db2.gz ALHXXNMWQYYEIF-FCEWJHQRSA-N 1 0 381.476 3.737 20 30 GHEDRO C=CCc1c(O[C@@H]2CC[N@@H+](CC)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234903645 1040418894 /nfs/dbraw/zinc/41/88/94/1040418894.db2.gz PIZIVHILHCMACM-GOSISDBHSA-N 1 0 375.472 3.587 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(Br)cc3)CC2)C1 ZINC001254656629 1040423037 /nfs/dbraw/zinc/42/30/37/1040423037.db2.gz KPPZZLKCHAHHDQ-MGHWNKPDSA-N 1 0 390.325 3.772 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(Br)cc3)CC2)C1 ZINC001254656630 1040423086 /nfs/dbraw/zinc/42/30/86/1040423086.db2.gz KPPZZLKCHAHHDQ-PILAGYSTSA-N 1 0 390.325 3.772 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)C1 ZINC001254662425 1040425432 /nfs/dbraw/zinc/42/54/32/1040425432.db2.gz GMRWWVKKAGOPFO-ZTQAJYAQSA-N 1 0 386.883 3.582 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677172 1040431868 /nfs/dbraw/zinc/43/18/68/1040431868.db2.gz QPADANQMBWTXBA-YLJYHZDGSA-N 1 0 384.524 3.975 20 30 GHEDRO Cc1ccc(C(=[NH2+])N[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1C ZINC001254696673 1040457405 /nfs/dbraw/zinc/45/74/05/1040457405.db2.gz YDDYNSMPJHPPQX-INIZCTEOSA-N 1 0 375.538 3.504 20 30 GHEDRO Cc1ccc(C(=[NH2+])N[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1C ZINC001254696675 1040457850 /nfs/dbraw/zinc/45/78/50/1040457850.db2.gz YDDYNSMPJHPPQX-MRXNPFEDSA-N 1 0 375.538 3.504 20 30 GHEDRO C[NH+]1CCN(Cc2cc(Oc3ccc(C#N)cc3)ccc2Br)CC1 ZINC001234966295 1040471532 /nfs/dbraw/zinc/47/15/32/1040471532.db2.gz MQDIIHAIDRQRKC-UHFFFAOYSA-N 1 0 386.293 3.860 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC001254715158 1040474974 /nfs/dbraw/zinc/47/49/74/1040474974.db2.gz MRVPAWRXZIJXCT-UHFFFAOYSA-N 1 0 385.508 3.597 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235004679 1040496665 /nfs/dbraw/zinc/49/66/65/1040496665.db2.gz APVOWTQOYDQCSI-QHCPKHFHSA-N 1 0 377.488 3.553 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]Cc3ccc(Cl)c(C#N)c3)C[C@@H]2C1 ZINC001254903004 1040657186 /nfs/dbraw/zinc/65/71/86/1040657186.db2.gz VGICVISSRIFORT-BJWYYQGGSA-N 1 0 375.900 3.947 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235264804 1040743964 /nfs/dbraw/zinc/74/39/64/1040743964.db2.gz YWFDIGUFGQDENY-UZLBHIALSA-N 1 0 398.304 3.907 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1Br ZINC001235357462 1040835764 /nfs/dbraw/zinc/83/57/64/1040835764.db2.gz BKIZQRBFRNKYAG-TZIWHRDSSA-N 1 0 396.332 3.900 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001255215976 1040909911 /nfs/dbraw/zinc/90/99/11/1040909911.db2.gz ZYMICIAGFFXONZ-BWTSREIZSA-N 1 0 383.492 3.553 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCOc1cccc(C#N)c1)C2 ZINC001255231197 1040918826 /nfs/dbraw/zinc/91/88/26/1040918826.db2.gz WFBQYGNSVYTCNA-LDLYASANSA-N 1 0 385.508 3.847 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnc(OC(C)C)cc3C)C2)C1 ZINC001235418435 1040923018 /nfs/dbraw/zinc/92/30/18/1040923018.db2.gz RGWHVKUFVFXCSH-JOCHJYFZSA-N 1 0 387.524 3.788 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CC(Oc3ccccc3C#N)C1)C2 ZINC001255250214 1040926504 /nfs/dbraw/zinc/92/65/04/1040926504.db2.gz VPJYOIWVFIMFJX-PIIMJCKOSA-N 1 0 383.492 3.552 20 30 GHEDRO N#Cc1cc(Br)cc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c1 ZINC001278857912 1040944610 /nfs/dbraw/zinc/94/46/10/1040944610.db2.gz GTBDIOUYEIFZIP-ROUUACIJSA-N 1 0 388.309 3.552 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001235518305 1040972708 /nfs/dbraw/zinc/97/27/08/1040972708.db2.gz OAHDVUSSOUVXAH-QIDMFYOTSA-N 1 0 377.463 3.988 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001235518933 1040973893 /nfs/dbraw/zinc/97/38/93/1040973893.db2.gz PBNGALOSLAPCQK-RPWUZVMVSA-N 1 0 391.515 3.736 20 30 GHEDRO C#CCOc1ccc(CN2CC[NH2+][C@H](c3cccc(Br)c3)C2)cc1 ZINC001235794305 1041292298 /nfs/dbraw/zinc/29/22/98/1041292298.db2.gz UVUAUDLNGNKRAW-FQEVSTJZSA-N 1 0 385.305 3.608 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)nc3C)C[C@@H]2c2ccccc2)C1=O ZINC001235807931 1041318180 /nfs/dbraw/zinc/31/81/80/1041318180.db2.gz YKKIEBIECYVGJJ-OFNKIYASSA-N 1 0 379.479 3.533 20 30 GHEDRO CCCCCCCCOc1ccc(C[NH+]2CCC(N)(C(=O)OC)CC2)cc1 ZINC001235828819 1041351633 /nfs/dbraw/zinc/35/16/33/1041351633.db2.gz IFRHPDRFVBUIPC-UHFFFAOYSA-N 1 0 376.541 3.892 20 30 GHEDRO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001255873389 1041368118 /nfs/dbraw/zinc/36/81/18/1041368118.db2.gz PUFXYFAFMHCOLX-HXOBKFHXSA-N 1 0 377.463 3.757 20 30 GHEDRO N#Cc1ccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001235975208 1041479651 /nfs/dbraw/zinc/47/96/51/1041479651.db2.gz RAQYQLMTJPXVLS-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO COc1cc(N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC001256087323 1041517446 /nfs/dbraw/zinc/51/74/46/1041517446.db2.gz WRAIFROGSMTYIA-HNNXBMFYSA-N 1 0 380.448 3.795 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001256294758 1041688084 /nfs/dbraw/zinc/68/80/84/1041688084.db2.gz FWWFOOGVBSUOOB-FQEVSTJZSA-N 1 0 385.508 3.801 20 30 GHEDRO C#CCOc1ccc(CN(Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc1OC ZINC001236506291 1041744943 /nfs/dbraw/zinc/74/49/43/1041744943.db2.gz MWLCIVSVSLWZNN-UHFFFAOYSA-N 1 0 396.506 3.909 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(F)cc4c3OCCC4)C2)C1 ZINC001236618748 1041785277 /nfs/dbraw/zinc/78/52/77/1041785277.db2.gz YGNADWQKFNPPRN-JOCHJYFZSA-N 1 0 388.483 3.761 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(Br)c(O)c1)CC2 ZINC001236684184 1041830749 /nfs/dbraw/zinc/83/07/49/1041830749.db2.gz KLBMBOBZZXQLIM-IBGZPJMESA-N 1 0 393.325 3.688 20 30 GHEDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236858831 1041931658 /nfs/dbraw/zinc/93/16/58/1041931658.db2.gz WBMLRONNTVAFTL-GOSISDBHSA-N 1 0 379.298 3.876 20 30 GHEDRO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001278023369 1041941380 /nfs/dbraw/zinc/94/13/80/1041941380.db2.gz UGHARXJETKJMSU-UHFFFAOYSA-N 1 0 380.891 3.965 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccc(-n3ccnc3)cc1Cl)CCC2 ZINC001236918894 1041957878 /nfs/dbraw/zinc/95/78/78/1041957878.db2.gz ZIXPJSYCTSTPDC-UHFFFAOYSA-N 1 0 397.910 3.831 20 30 GHEDRO N#Cc1cc(C[N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)ccn1 ZINC001237461965 1042218133 /nfs/dbraw/zinc/21/81/33/1042218133.db2.gz GCQQRSMHFYMVHT-DEOSSOPVSA-N 1 0 396.494 3.757 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cn(C)c4ccc(C#N)cc34)C2)C1 ZINC001237467518 1042220585 /nfs/dbraw/zinc/22/05/85/1042220585.db2.gz WLSQCLCVFVJOOO-QHCPKHFHSA-N 1 0 392.503 3.660 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c2cc(C#N)ccc21 ZINC001237470649 1042222692 /nfs/dbraw/zinc/22/26/92/1042222692.db2.gz WEVBACIJIXNIJT-QFIPXVFZSA-N 1 0 384.483 3.503 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473164 1042223976 /nfs/dbraw/zinc/22/39/76/1042223976.db2.gz UOGCMTOPLGRDTD-BEFAXECRSA-N 1 0 382.508 3.928 20 30 GHEDRO CC(C)[N@H+](Cc1cn2cc(C#N)ccc2n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001237611233 1042280500 /nfs/dbraw/zinc/28/05/00/1042280500.db2.gz OOERBVUUUMOXBU-LJQANCHMSA-N 1 0 397.523 3.816 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1cc(F)ccc1N1CCC([NH3+])CC1 ZINC001237853340 1042395977 /nfs/dbraw/zinc/39/59/77/1042395977.db2.gz MKRZWKAPHICJKN-UHFFFAOYSA-N 1 0 385.549 3.855 20 30 GHEDRO COc1cc(Br)c2cc(C[N@H+](C)Cc3ccc(C#N)cc3)[nH]c2n1 ZINC001237934054 1042426606 /nfs/dbraw/zinc/42/66/06/1042426606.db2.gz OQKVRJQSAQLHBB-UHFFFAOYSA-N 1 0 385.265 3.838 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cccc(N4CCCCC4)n3)C2)cc1 ZINC001238002651 1042453791 /nfs/dbraw/zinc/45/37/91/1042453791.db2.gz AQFPKYCPHHDSLF-JOCHJYFZSA-N 1 0 376.504 3.987 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(N3CCCCC3)n1)[C@H]2CC ZINC001238004933 1042454952 /nfs/dbraw/zinc/45/49/52/1042454952.db2.gz PGOFCFCGKXGCGX-URXFXBBRSA-N 1 0 396.579 3.994 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046405 1042472059 /nfs/dbraw/zinc/47/20/59/1042472059.db2.gz RASPGXSSOVUDND-DYESRHJHSA-N 1 0 393.911 3.843 20 30 GHEDRO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001238081898 1042484910 /nfs/dbraw/zinc/48/49/10/1042484910.db2.gz FZIMTPOQIZDVGU-IBGZPJMESA-N 1 0 394.906 3.587 20 30 GHEDRO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001238081900 1042485022 /nfs/dbraw/zinc/48/50/22/1042485022.db2.gz FZIMTPOQIZDVGU-LJQANCHMSA-N 1 0 394.906 3.587 20 30 GHEDRO COCCOc1ccc(N2CCN(Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC001238085226 1042486640 /nfs/dbraw/zinc/48/66/40/1042486640.db2.gz YGNLLRYUVQFUAF-UHFFFAOYSA-N 1 0 385.895 3.559 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)ccc1C#N ZINC001238405434 1042586454 /nfs/dbraw/zinc/58/64/54/1042586454.db2.gz FBDUNVFTKKZHHS-UHFFFAOYSA-N 1 0 395.528 3.757 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(C#N)c(OC)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001238407495 1042586962 /nfs/dbraw/zinc/58/69/62/1042586962.db2.gz NNXJKHAROOKPHY-GMAHTHKFSA-N 1 0 381.520 3.712 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OC(C)C)cc1F)CC2 ZINC001238445007 1042597982 /nfs/dbraw/zinc/59/79/82/1042597982.db2.gz RECQWHHUMIHSBZ-UHFFFAOYSA-N 1 0 376.472 3.833 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238557251 1042639358 /nfs/dbraw/zinc/63/93/58/1042639358.db2.gz DEXSXEXGNUHOPR-UHFFFAOYSA-N 1 0 394.538 3.679 20 30 GHEDRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001238607375 1042656626 /nfs/dbraw/zinc/65/66/26/1042656626.db2.gz GIKHCDHRMQCAFB-UHFFFAOYSA-N 1 0 399.498 3.736 20 30 GHEDRO CCCCCCCCc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)s1 ZINC001238730501 1042705164 /nfs/dbraw/zinc/70/51/64/1042705164.db2.gz VHKBEZIDBNZABB-UHFFFAOYSA-N 1 0 377.554 3.825 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)ccc1C#N ZINC001238760125 1042717564 /nfs/dbraw/zinc/71/75/64/1042717564.db2.gz FHGOOTALZKMJSG-QFIPXVFZSA-N 1 0 377.488 3.718 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCOC)[C@H]2CC)ccc1C#N ZINC001238761770 1042718251 /nfs/dbraw/zinc/71/82/51/1042718251.db2.gz FYDIIHCECNHZDB-GGAORHGYSA-N 1 0 383.536 3.503 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)ccc1C#N ZINC001238774880 1042722931 /nfs/dbraw/zinc/72/29/31/1042722931.db2.gz MTFZAYQJWRJQMZ-XMMPIXPASA-N 1 0 388.515 3.530 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001238858312 1042742063 /nfs/dbraw/zinc/74/20/63/1042742063.db2.gz ALJRQLOFQLKKLE-UHFFFAOYSA-N 1 0 381.586 3.720 20 30 GHEDRO CC(C)(C)c1ccccc1NC(=O)Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001239190353 1042782877 /nfs/dbraw/zinc/78/28/77/1042782877.db2.gz KOLJBNFRGGIRDF-UHFFFAOYSA-N 1 0 377.492 3.909 20 30 GHEDRO N#Cc1cc(NC(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CC[NH2+]CC1 ZINC001239189696 1042782947 /nfs/dbraw/zinc/78/29/47/1042782947.db2.gz FAEZUVNONBRRJX-UHFFFAOYSA-N 1 0 390.274 3.919 20 30 GHEDRO O=C(Nc1cc(F)cc(C(F)(F)F)c1)N[C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001239223235 1042789187 /nfs/dbraw/zinc/78/91/87/1042789187.db2.gz NCZUDJAENCJLDI-LBPRGKRZSA-N 1 0 387.299 3.897 20 30 GHEDRO CCCCCCCCCCCCNC(=S)NCc1nnn2c1C[NH2+]CCC2 ZINC001239361158 1042812916 /nfs/dbraw/zinc/81/29/16/1042812916.db2.gz CBOQLAYNHHUGBC-UHFFFAOYSA-N 1 0 394.633 3.656 20 30 GHEDRO C=CCCNC(=S)N[C@@H]1CC2(CC[NH2+]CC2)c2c1cccc2Br ZINC001239363639 1042813694 /nfs/dbraw/zinc/81/36/94/1042813694.db2.gz ZKUXHCNKIONEPT-OAHLLOKOSA-N 1 0 394.382 3.555 20 30 GHEDRO N#Cc1cccc(NC(=S)NC2(Cc3ccccc3Cl)CC[NH2+]CC2)c1 ZINC001239386503 1042819116 /nfs/dbraw/zinc/81/91/16/1042819116.db2.gz SMWBAXLOVYVPRX-UHFFFAOYSA-N 1 0 384.936 3.863 20 30 GHEDRO C=CCCNC(=S)NCC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001239393631 1042821567 /nfs/dbraw/zinc/82/15/67/1042821567.db2.gz ONZBSTUQOGDSOF-UHFFFAOYSA-N 1 0 385.499 3.658 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001239435767 1042829297 /nfs/dbraw/zinc/82/92/97/1042829297.db2.gz ZQNNWNXSZWOYGG-UGKGYDQZSA-N 1 0 376.529 3.508 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001239460677 1042832718 /nfs/dbraw/zinc/83/27/18/1042832718.db2.gz OZUDIRXXZHXUDG-QGZVFWFLSA-N 1 0 390.434 3.920 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240050747 1042876777 /nfs/dbraw/zinc/87/67/77/1042876777.db2.gz HVZFZROZMHCNTR-SFHVURJKSA-N 1 0 378.476 3.688 20 30 GHEDRO N#Cc1cc(-c2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc(C2C[NH2+]C2)c1 ZINC001240343735 1042922333 /nfs/dbraw/zinc/92/23/33/1042922333.db2.gz TUQKATQNSLJGFT-UHFFFAOYSA-N 1 0 381.361 3.783 20 30 GHEDRO COc1cc(C(=O)OCc2ccccc2)cnc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240361399 1042923149 /nfs/dbraw/zinc/92/31/49/1042923149.db2.gz WHYSZTAJZWCNPL-UHFFFAOYSA-N 1 0 399.450 3.673 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291106764 1043081725 /nfs/dbraw/zinc/08/17/25/1043081725.db2.gz AIELQDUDRDDTQK-ROUUACIJSA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001291113462 1043085509 /nfs/dbraw/zinc/08/55/09/1043085509.db2.gz FQRKLEJLFWNNBR-IBGZPJMESA-N 1 0 392.551 3.929 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001291114188 1043086375 /nfs/dbraw/zinc/08/63/75/1043086375.db2.gz UYTJGUYNLARNSP-GOSISDBHSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001291480466 1043295877 /nfs/dbraw/zinc/29/58/77/1043295877.db2.gz BNSSCIPBAFDBQI-QGZVFWFLSA-N 1 0 380.540 3.641 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001291505290 1043313582 /nfs/dbraw/zinc/31/35/82/1043313582.db2.gz GPCCJPXHMHJEHT-UEXGIBASSA-N 1 0 390.551 3.888 20 30 GHEDRO CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001291736248 1043432733 /nfs/dbraw/zinc/43/27/33/1043432733.db2.gz FQVCUCVUHUQKLT-LJQANCHMSA-N 1 0 392.551 3.951 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256573602 1043546134 /nfs/dbraw/zinc/54/61/34/1043546134.db2.gz ORDZTROYSCPVHC-UHFFFAOYSA-N 1 0 386.584 3.617 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCN(Cc3ccccc3)CC1)C2 ZINC001256605977 1043569655 /nfs/dbraw/zinc/56/96/55/1043569655.db2.gz LYLCQIFACWKCSR-BJKOFHAPSA-N 1 0 384.564 3.725 20 30 GHEDRO C=CC1(CC(=O)NC[C@H]2CCCC[N@H+]2CCCC)CN(C(=O)OC(C)(C)C)C1 ZINC001292325304 1043685467 /nfs/dbraw/zinc/68/54/67/1043685467.db2.gz SMKYVAMPZCQDSR-GOSISDBHSA-N 1 0 393.572 3.570 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]C1CCC(C#N)CC1)CCO2 ZINC001256957866 1043773780 /nfs/dbraw/zinc/77/37/80/1043773780.db2.gz JNIGEHBNJLDVDR-DAWZGUTISA-N 1 0 377.529 3.607 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](C2CCC(C#N)CC2)CC3)cs1 ZINC001256968817 1043777184 /nfs/dbraw/zinc/77/71/84/1043777184.db2.gz OLVSNORIWPBHQX-KVZIAJEVSA-N 1 0 375.538 3.674 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])NC3C[C@@H](C)O[C@@H](C)C3)c3ccccc32)cc1 ZINC001257086515 1043836752 /nfs/dbraw/zinc/83/67/52/1043836752.db2.gz IBQYOLCYFSBZTR-BYICEURKSA-N 1 0 392.503 3.755 20 30 GHEDRO CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257136369 1043883324 /nfs/dbraw/zinc/88/33/24/1043883324.db2.gz XHOZMTWQTQBLFS-TZIWHRDSSA-N 1 0 398.551 3.858 20 30 GHEDRO CCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001293023260 1043989996 /nfs/dbraw/zinc/98/99/96/1043989996.db2.gz UJTHWIYFCZNQRZ-DENIHFKCSA-N 1 0 380.540 3.582 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc(Br)cc2)C1 ZINC001257570081 1044055761 /nfs/dbraw/zinc/05/57/61/1044055761.db2.gz HNSHOHCPJOCOFJ-RHSMWYFYSA-N 1 0 381.314 3.757 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001257593821 1044079207 /nfs/dbraw/zinc/07/92/07/1044079207.db2.gz IWBFXADSTZZDKE-XMTFNYHQSA-N 1 0 395.544 3.540 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001293423275 1044168987 /nfs/dbraw/zinc/16/89/87/1044168987.db2.gz CTFBTJHRJLKSRV-PMACEKPBSA-N 1 0 378.524 3.536 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H](O)C3CCN(C(=O)OC(C)(C)C)CC3)C[C@H](C1)C2 ZINC001257888472 1044244771 /nfs/dbraw/zinc/24/47/71/1044244771.db2.gz OUXZPYRKHWGBNI-HLTCZBPJSA-N 1 0 378.557 3.719 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H](CO)[C@H](O)c3ccc(Br)cc3)C[C@H](C1)C2 ZINC001257887360 1044245049 /nfs/dbraw/zinc/24/50/49/1044245049.db2.gz SEPCOWKTSDYOGV-AXSWGVAZSA-N 1 0 380.326 3.568 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3Cc4cn(CC5CCOCC5)nc4[C@@H](COC)C3)C[C@H](C1)C2 ZINC001257892426 1044247390 /nfs/dbraw/zinc/24/73/90/1044247390.db2.gz YSYNWSCBCJPFGM-SXYMUXSESA-N 1 0 399.579 3.990 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)C[C@H](NC(=O)N3CCCC3)CCO4)C[C@H](C1)C2 ZINC001257892684 1044248638 /nfs/dbraw/zinc/24/86/38/1044248638.db2.gz AIHPKBUWYLWLRX-HYUAUGOESA-N 1 0 387.568 3.550 20 30 GHEDRO C=C1C[C@@H]2CC(N(c3ccc(C)nn3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)C[C@H](C1)C2 ZINC001257892706 1044249530 /nfs/dbraw/zinc/24/95/30/1044249530.db2.gz BFQGMMYRDCEYHF-YWMYMHMLSA-N 1 0 382.552 3.637 20 30 GHEDRO C=CCOC(=O)CC[C@H](NC1CCC(c2ccccc2)CC1)C(=O)OCC=C ZINC001257994472 1044323248 /nfs/dbraw/zinc/32/32/48/1044323248.db2.gz MPZGLWOAOLNWIE-CBNMVNINSA-N 1 0 385.504 3.910 20 30 GHEDRO CCCCCCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnoc2C)[C@H]2OCCC[C@H]2C1 ZINC001258044443 1044368049 /nfs/dbraw/zinc/36/80/49/1044368049.db2.gz NZZJWXUVGWUPFH-PLWAMTLXSA-N 1 0 391.556 3.941 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCCO3)[C@@H]2C1 ZINC001258047942 1044370617 /nfs/dbraw/zinc/37/06/17/1044370617.db2.gz PLEWOPKWCFCDLT-BQJUDKOJSA-N 1 0 380.573 3.874 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H](C)CCCC(=O)OCC)CC2 ZINC001258116454 1044403674 /nfs/dbraw/zinc/40/36/74/1044403674.db2.gz DHRBCUYTQWVACL-GOSISDBHSA-N 1 0 380.529 3.609 20 30 GHEDRO CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[N@H+](CCC)C1 ZINC001294181753 1044511679 /nfs/dbraw/zinc/51/16/79/1044511679.db2.gz OFNDEQZROKZVPZ-LJQANCHMSA-N 1 0 380.540 3.785 20 30 GHEDRO C[C@@H](Cc1cccnc1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001258625529 1044675001 /nfs/dbraw/zinc/67/50/01/1044675001.db2.gz DFAIJVANSIZAMA-GBXCKJPGSA-N 1 0 390.531 3.503 20 30 GHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001294522545 1044680916 /nfs/dbraw/zinc/68/09/16/1044680916.db2.gz FJPGIKHUOMAKQF-BGYRXZFFSA-N 1 0 392.551 3.641 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)CC)n2Cc2ccc(C#N)o2)CC1 ZINC001294675936 1044760464 /nfs/dbraw/zinc/76/04/64/1044760464.db2.gz UHLNLVLMBNLAMH-INIZCTEOSA-N 1 0 384.528 3.615 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@@H](C)C#N ZINC001294709459 1044772834 /nfs/dbraw/zinc/77/28/34/1044772834.db2.gz MHNCIZDUKOTJOE-ICSRJNTNSA-N 1 0 386.588 3.871 20 30 GHEDRO C=CCOc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001295076913 1044906374 /nfs/dbraw/zinc/90/63/74/1044906374.db2.gz FMWALHPJUBWZEC-OALUTQOASA-N 1 0 394.515 3.995 20 30 GHEDRO C[NH+](C)CCc1cccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC001295484351 1045031986 /nfs/dbraw/zinc/03/19/86/1045031986.db2.gz AIRACQWQDUFFJC-UHFFFAOYSA-N 1 0 393.878 3.754 20 30 GHEDRO CC[NH+](CC)Cc1cccc(Cn2c(C(C)C)nnc2N(C)C[C@H](C)C#N)c1 ZINC001295493908 1045034294 /nfs/dbraw/zinc/03/42/94/1045034294.db2.gz WBLZDRABPQYMRU-GOSISDBHSA-N 1 0 382.556 3.887 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C ZINC001296090669 1045250599 /nfs/dbraw/zinc/25/05/99/1045250599.db2.gz WJWHEGQGSRPKGV-XLIONFOSSA-N 1 0 378.524 3.680 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC=C(C)C)C[C@H]1C ZINC001296147002 1045263829 /nfs/dbraw/zinc/26/38/29/1045263829.db2.gz LZSRURIVGJCEMJ-GOSISDBHSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001296275439 1045293101 /nfs/dbraw/zinc/29/31/01/1045293101.db2.gz WNRVNWWKCHPTNX-QZTJIDSGSA-N 1 0 381.561 3.617 20 30 GHEDRO C=CC[C@@]1(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCCN1C(=O)OC(C)(C)C ZINC001297066179 1045440227 /nfs/dbraw/zinc/44/02/27/1045440227.db2.gz ZOEGNRZIGVMQNE-QFIPXVFZSA-N 1 0 393.572 3.570 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C)(C)N(C)c2ccc(Br)cc21 ZINC001297281894 1045491362 /nfs/dbraw/zinc/49/13/62/1045491362.db2.gz WKGROBFSTPPPOV-UHFFFAOYSA-N 1 0 380.330 3.518 20 30 GHEDRO CN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001298490103 1045832808 /nfs/dbraw/zinc/83/28/08/1045832808.db2.gz HNTAYPBQDAOXIK-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492436897 1046160607 /nfs/dbraw/zinc/16/06/07/1046160607.db2.gz MCYADHDYFDYKFV-IRXDYDNUSA-N 1 0 386.569 3.567 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300799612 1046167607 /nfs/dbraw/zinc/16/76/07/1046167607.db2.gz BMMGVRUMKBOVLN-FDDCHVKYSA-N 1 0 395.526 3.808 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300800141 1046167651 /nfs/dbraw/zinc/16/76/51/1046167651.db2.gz NBEVJSTUIZXFKW-NFBKMPQASA-N 1 0 394.567 3.776 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300808149 1046177634 /nfs/dbraw/zinc/17/76/34/1046177634.db2.gz SIDLPNJBHXXVEA-WZONZLPQSA-N 1 0 383.584 3.733 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300907932 1046234426 /nfs/dbraw/zinc/23/44/26/1046234426.db2.gz VGYKEFDPTLIPIW-LJQANCHMSA-N 1 0 382.556 3.863 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001300909200 1046235911 /nfs/dbraw/zinc/23/59/11/1046235911.db2.gz ODCUNDMBXFZIAQ-UHFFFAOYSA-N 1 0 396.514 3.947 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001301023448 1046294171 /nfs/dbraw/zinc/29/41/71/1046294171.db2.gz GAQHXDGAPLTVNM-INIZCTEOSA-N 1 0 375.904 3.664 20 30 GHEDRO C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001301040632 1046303374 /nfs/dbraw/zinc/30/33/74/1046303374.db2.gz HTFXMDYKQUOIFT-QAPCUYQASA-N 1 0 393.963 3.583 20 30 GHEDRO C=C(Cl)Cn1c(CC2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001301050208 1046309367 /nfs/dbraw/zinc/30/93/67/1046309367.db2.gz NEIVONZUOXTEHS-KRWDZBQOSA-N 1 0 385.943 3.694 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301079215 1046324292 /nfs/dbraw/zinc/32/42/92/1046324292.db2.gz BXYSNJWBSIICNQ-UYAOXDASSA-N 1 0 394.567 3.925 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001301086588 1046330735 /nfs/dbraw/zinc/33/07/35/1046330735.db2.gz XVJFGHOHYXVKKK-MOPGFXCFSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001301126995 1046360521 /nfs/dbraw/zinc/36/05/21/1046360521.db2.gz GELMHQQFKDVCCH-INIZCTEOSA-N 1 0 387.959 3.875 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301146207 1046371927 /nfs/dbraw/zinc/37/19/27/1046371927.db2.gz VTOFERLPHFTYCP-SFHVURJKSA-N 1 0 382.556 3.560 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301149731 1046374093 /nfs/dbraw/zinc/37/40/93/1046374093.db2.gz FDHYGDOMWXPSQN-OALUTQOASA-N 1 0 394.567 3.924 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001262939016 1046436008 /nfs/dbraw/zinc/43/60/08/1046436008.db2.gz REOZIGMRTYUPMG-UHFFFAOYSA-N 1 0 398.580 3.920 20 30 GHEDRO C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001262939490 1046437284 /nfs/dbraw/zinc/43/72/84/1046437284.db2.gz HRKLPFWXCPYUAE-SJORKVTESA-N 1 0 379.499 3.679 20 30 GHEDRO C=CCn1c([C@H]2CCCc3cccnc32)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001262944760 1046441941 /nfs/dbraw/zinc/44/19/41/1046441941.db2.gz WVALUFLLRNWIFY-FQEVSTJZSA-N 1 0 394.567 3.638 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001301271120 1046442605 /nfs/dbraw/zinc/44/26/05/1046442605.db2.gz VHUUOLWASARGIC-SFHVURJKSA-N 1 0 397.548 3.940 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC[N@H+]1CC ZINC001301280628 1046450593 /nfs/dbraw/zinc/45/05/93/1046450593.db2.gz RXPCACJQLTYPIW-OAHLLOKOSA-N 1 0 377.895 3.844 20 30 GHEDRO C=CCN(C)c1nnc(COc2cccc(C)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001301304814 1046465908 /nfs/dbraw/zinc/46/59/08/1046465908.db2.gz JMHUVDLKIANHBT-UHFFFAOYSA-N 1 0 397.567 3.910 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCC1 ZINC001301308674 1046471106 /nfs/dbraw/zinc/47/11/06/1046471106.db2.gz IULRVGNLPHDOFB-UHFFFAOYSA-N 1 0 389.931 3.617 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001301310580 1046473324 /nfs/dbraw/zinc/47/33/24/1046473324.db2.gz RQARWTVMEDPOLB-OAQYLSRUSA-N 1 0 395.551 3.786 20 30 GHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001301467144 1046552563 /nfs/dbraw/zinc/55/25/63/1046552563.db2.gz KVXPVCMLQQEDRA-UHFFFAOYSA-N 1 0 397.567 3.644 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001301555739 1046596141 /nfs/dbraw/zinc/59/61/41/1046596141.db2.gz DCOCSYOBUDGVCV-RBUKOAKNSA-N 1 0 389.588 3.522 20 30 GHEDRO C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001301594373 1046613592 /nfs/dbraw/zinc/61/35/92/1046613592.db2.gz BBYLAXCDIPDJQQ-QZTJIDSGSA-N 1 0 377.602 3.775 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001263282450 1046675736 /nfs/dbraw/zinc/67/57/36/1046675736.db2.gz BKIRMRVWYRRQIV-SFHVURJKSA-N 1 0 396.539 3.760 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC2CC1(c1ccccc1)C2 ZINC001263343922 1046726997 /nfs/dbraw/zinc/72/69/97/1046726997.db2.gz NQUKUQDEVSCGFH-KPRXVCGWSA-N 1 0 377.536 3.789 20 30 GHEDRO C=C(C)Cn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N(C)[C@H](C)CC#N ZINC001263346013 1046729322 /nfs/dbraw/zinc/72/93/22/1046729322.db2.gz CEIFXZPJNFBTML-GOSISDBHSA-N 1 0 393.539 3.680 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001301953544 1046759855 /nfs/dbraw/zinc/75/98/55/1046759855.db2.gz SSFOOALHWCXVHE-IRXDYDNUSA-N 1 0 384.528 3.602 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[NH+]1CCCC1 ZINC001301964529 1046765009 /nfs/dbraw/zinc/76/50/09/1046765009.db2.gz BGNQLVTUNRHQBY-KRWDZBQOSA-N 1 0 391.523 3.508 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001301965322 1046765202 /nfs/dbraw/zinc/76/52/02/1046765202.db2.gz JRHSFUUEQYPPSU-WIYYLYMNSA-N 1 0 392.551 3.806 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1cccs1 ZINC001263496757 1046905354 /nfs/dbraw/zinc/90/53/54/1046905354.db2.gz OWRFQWLMPKIDAZ-UHFFFAOYSA-N 1 0 398.580 3.644 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302887860 1047169762 /nfs/dbraw/zinc/16/97/62/1047169762.db2.gz WZBJDQPMZAESQD-FQEVSTJZSA-N 1 0 386.588 3.727 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001302919294 1047191231 /nfs/dbraw/zinc/19/12/31/1047191231.db2.gz FZKHIADMOGZHPE-QFIPXVFZSA-N 1 0 386.588 3.729 20 30 GHEDRO N#CCC1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCC2)CC1 ZINC001303011374 1047247406 /nfs/dbraw/zinc/24/74/06/1047247406.db2.gz JKMCIZINZURHFK-UHFFFAOYSA-N 1 0 378.524 3.561 20 30 GHEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001303090611 1047276726 /nfs/dbraw/zinc/27/67/26/1047276726.db2.gz YWMKCRWYZFROOX-SFHVURJKSA-N 1 0 397.571 3.627 20 30 GHEDRO CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001303177544 1047305404 /nfs/dbraw/zinc/30/54/04/1047305404.db2.gz UKVZUAPPEDMEBO-OALUTQOASA-N 1 0 395.588 3.841 20 30 GHEDRO CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001303177542 1047305846 /nfs/dbraw/zinc/30/58/46/1047305846.db2.gz UKVZUAPPEDMEBO-MOPGFXCFSA-N 1 0 395.588 3.841 20 30 GHEDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC001303476723 1047401081 /nfs/dbraw/zinc/40/10/81/1047401081.db2.gz HTIILAXRNPASAZ-INIZCTEOSA-N 1 0 381.451 3.903 20 30 GHEDRO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001303696872 1047484385 /nfs/dbraw/zinc/48/43/85/1047484385.db2.gz UHZFUMBUDXEYJB-AOMKIAJQSA-N 1 0 392.507 3.771 20 30 GHEDRO Cn1cc(C[NH2+][C@@]23CC[C@@](NCc4cnc(Cl)s4)(C2)CCC3)cc1C#N ZINC001279277336 1047754143 /nfs/dbraw/zinc/75/41/43/1047754143.db2.gz IJLQSNDOVIKWOU-RBUKOAKNSA-N 1 0 389.956 3.731 20 30 GHEDRO Cc1nnc(N2CCC(C#N)CC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001304810752 1047778246 /nfs/dbraw/zinc/77/82/46/1047778246.db2.gz CFMHGTDSEIJUMH-GCJKJVERSA-N 1 0 392.551 3.627 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001305144052 1047916647 /nfs/dbraw/zinc/91/66/47/1047916647.db2.gz UOPANSAGEPCYBW-IRXDYDNUSA-N 1 0 380.540 3.639 20 30 GHEDRO Cc1csc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CC(CC#N)C3)CC2)c1Cl ZINC001279877464 1047978380 /nfs/dbraw/zinc/97/83/80/1047978380.db2.gz RZWVUMQFWCDNFD-OAHLLOKOSA-N 1 0 377.941 3.684 20 30 GHEDRO N#CC1(NC(=O)C23CC([NH2+]Cc4c(Cl)ccc(F)c4Cl)(C2)C3)CCC1 ZINC001279894618 1047982311 /nfs/dbraw/zinc/98/23/11/1047982311.db2.gz FYIGOWPOMDYBDB-UHFFFAOYSA-N 1 0 382.266 3.707 20 30 GHEDRO CCCCCCCNC(=S)N1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279957271 1048011977 /nfs/dbraw/zinc/01/19/77/1048011977.db2.gz QFCPEKRVYVTOHS-FQEVSTJZSA-N 1 0 377.602 3.543 20 30 GHEDRO CC(C)(C)NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001280076942 1048072216 /nfs/dbraw/zinc/07/22/16/1048072216.db2.gz LBXGDDYBHLPYSS-DJJJIMSYSA-N 1 0 394.972 3.762 20 30 GHEDRO C=CCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1ncnc2sc(C)cc21 ZINC001280120000 1048091605 /nfs/dbraw/zinc/09/16/05/1048091605.db2.gz BTABGXWXLQKSRX-OAHLLOKOSA-N 1 0 388.562 3.712 20 30 GHEDRO C=CCCCC[NH+]1CC2(C[C@@H]2C(=O)Nc2ncc(C)cc2Br)C1 ZINC001280129651 1048095514 /nfs/dbraw/zinc/09/55/14/1048095514.db2.gz XFMCUYZPEBQCGK-CQSZACIVSA-N 1 0 378.314 3.769 20 30 GHEDRO C[C@@]1(C#N)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001280275491 1048155768 /nfs/dbraw/zinc/15/57/68/1048155768.db2.gz HXUPRMMERCHDAR-PZUNEJSGSA-N 1 0 387.527 3.838 20 30 GHEDRO C=CCOCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001280400417 1048207753 /nfs/dbraw/zinc/20/77/53/1048207753.db2.gz PLWLXGZDHKCVOB-FCHUYYIVSA-N 1 0 398.934 3.874 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[NH+]1CCC(C)CC1 ZINC001286284519 1048254280 /nfs/dbraw/zinc/25/42/80/1048254280.db2.gz DPGWKWHSQWKIQX-SFHVURJKSA-N 1 0 390.535 3.616 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)[NH+](CC)CC ZINC001286288267 1048256547 /nfs/dbraw/zinc/25/65/47/1048256547.db2.gz RVSZPYWBVZSSAK-MSOLQXFVSA-N 1 0 392.551 3.625 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001286293252 1048259136 /nfs/dbraw/zinc/25/91/36/1048259136.db2.gz MPYXHRBYZZMVLP-IBGZPJMESA-N 1 0 391.563 3.916 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC[N@@H+](C)C(C)C ZINC001286360449 1048288988 /nfs/dbraw/zinc/28/89/88/1048288988.db2.gz HCCPSINAKOVUDF-FQEVSTJZSA-N 1 0 397.567 3.835 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001286373813 1048298167 /nfs/dbraw/zinc/29/81/67/1048298167.db2.gz RMBKBQBUYHCWDG-UHFFFAOYSA-N 1 0 399.970 3.856 20 30 GHEDRO C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001286382304 1048301898 /nfs/dbraw/zinc/30/18/98/1048301898.db2.gz YACQVKRYZZEWCQ-IBGZPJMESA-N 1 0 397.592 3.680 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCC[N@H+]2CC)cc1 ZINC001305915865 1048306527 /nfs/dbraw/zinc/30/65/27/1048306527.db2.gz BKFLHRCHYLMHDX-GHTZIAJQSA-N 1 0 394.567 3.978 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286441429 1048323779 /nfs/dbraw/zinc/32/37/79/1048323779.db2.gz NXCHUXQKVHKEKP-IBGZPJMESA-N 1 0 377.492 3.609 20 30 GHEDRO C#CCN(CC)c1nnc(CC(C)C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001286447020 1048327686 /nfs/dbraw/zinc/32/76/86/1048327686.db2.gz OEBUOVFUSKCGFO-UHFFFAOYSA-N 1 0 393.579 3.773 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286526020 1048351042 /nfs/dbraw/zinc/35/10/42/1048351042.db2.gz OMXAHIULASSLMU-MIZPHKNDSA-N 1 0 399.583 3.632 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286531237 1048354396 /nfs/dbraw/zinc/35/43/96/1048354396.db2.gz UJYXYNQIUVPDHI-DNVFCKCGSA-N 1 0 399.583 3.632 20 30 GHEDRO C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001286611345 1048387102 /nfs/dbraw/zinc/38/71/02/1048387102.db2.gz JQQOWFXMEHUMEW-FQEVSTJZSA-N 1 0 387.572 3.593 20 30 GHEDRO C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001286620216 1048392159 /nfs/dbraw/zinc/39/21/59/1048392159.db2.gz HMISHFVPHTVHST-HFTRVMKXSA-N 1 0 377.964 3.997 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001286645933 1048412181 /nfs/dbraw/zinc/41/21/81/1048412181.db2.gz JMFWOGVRCNSGQF-VQTJNVASSA-N 1 0 387.572 3.941 20 30 GHEDRO CCc1nnc(N2CCC(C)(C#N)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306121592 1048444412 /nfs/dbraw/zinc/44/44/12/1048444412.db2.gz BILHZPBUFWTHPG-RTBURBONSA-N 1 0 386.588 3.729 20 30 GHEDRO C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286687938 1048449183 /nfs/dbraw/zinc/44/91/83/1048449183.db2.gz STTMWPOLZHPCTR-QRVBRYPASA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCCOCCn1c([C@H](C)CC)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286706109 1048464421 /nfs/dbraw/zinc/46/44/21/1048464421.db2.gz JYLKXPUCDXFJEK-RBUKOAKNSA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCCOCCn1c([C@H](C)CC)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286706110 1048464500 /nfs/dbraw/zinc/46/45/00/1048464500.db2.gz JYLKXPUCDXFJEK-RTBURBONSA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1)C1CC1 ZINC001286738281 1048496934 /nfs/dbraw/zinc/49/69/34/1048496934.db2.gz XIPKEDNTHUOOPZ-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286754741 1048507367 /nfs/dbraw/zinc/50/73/67/1048507367.db2.gz DPVBKURSGVKACC-LJQANCHMSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001286775971 1048522537 /nfs/dbraw/zinc/52/25/37/1048522537.db2.gz ZMLIWCJJBXJMCT-OAQYLSRUSA-N 1 0 394.567 3.542 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001286803503 1048531222 /nfs/dbraw/zinc/53/12/22/1048531222.db2.gz FWEQRVATLDMWBT-LEWJYISDSA-N 1 0 395.551 3.601 20 30 GHEDRO C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286827806 1048537777 /nfs/dbraw/zinc/53/77/77/1048537777.db2.gz BKVKXBSGEAMTAD-UHFFFAOYSA-N 1 0 388.585 3.503 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286963600 1048555376 /nfs/dbraw/zinc/55/53/76/1048555376.db2.gz UVLRZVWDRDFGRJ-CVEARBPZSA-N 1 0 398.942 3.679 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1([NH+](C)C)CCC1 ZINC001286966904 1048559206 /nfs/dbraw/zinc/55/92/06/1048559206.db2.gz WLJJTNWYNAOKCW-INIZCTEOSA-N 1 0 391.523 3.507 20 30 GHEDRO CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001287103837 1048598737 /nfs/dbraw/zinc/59/87/37/1048598737.db2.gz WWZDRPICQCWPDJ-GHTZIAJQSA-N 1 0 390.535 3.846 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001287407433 1048761410 /nfs/dbraw/zinc/76/14/10/1048761410.db2.gz NQJMIMUQKAEXSX-RBUKOAKNSA-N 1 0 386.588 3.727 20 30 GHEDRO CCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001306792212 1048896903 /nfs/dbraw/zinc/89/69/03/1048896903.db2.gz PLLIKLFLWGSCDK-GOSISDBHSA-N 1 0 380.540 3.785 20 30 GHEDRO N#Cc1cnc(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001287714436 1048901786 /nfs/dbraw/zinc/90/17/86/1048901786.db2.gz FPRQVMBVKCEJDP-SFHVURJKSA-N 1 0 382.895 3.781 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C ZINC001287956855 1048957071 /nfs/dbraw/zinc/95/70/71/1048957071.db2.gz VEPAYQGUDOWKHG-QFIPXVFZSA-N 1 0 397.571 3.912 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001287983712 1048961893 /nfs/dbraw/zinc/96/18/93/1048961893.db2.gz KHVYGJWHJIBYBH-AVRDEDQJSA-N 1 0 395.555 3.524 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC001306937142 1048967769 /nfs/dbraw/zinc/96/77/69/1048967769.db2.gz XQZALWZWYUDWMY-UHFFFAOYSA-N 1 0 397.454 3.620 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001307040789 1049034831 /nfs/dbraw/zinc/03/48/31/1049034831.db2.gz XORVVJAQHLXOHA-LJQANCHMSA-N 1 0 392.551 3.807 20 30 GHEDRO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC001307413886 1049255488 /nfs/dbraw/zinc/25/54/88/1049255488.db2.gz BJBYXRCIWDHBTC-UHYCVJNDSA-N 1 0 389.927 3.502 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC001307489703 1049330399 /nfs/dbraw/zinc/33/03/99/1049330399.db2.gz MDMPBMOUDGZEDA-HUUCEWRRSA-N 1 0 380.492 3.643 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC001307669180 1049492130 /nfs/dbraw/zinc/49/21/30/1049492130.db2.gz VOPZBYDONLDXPG-WOJBJXKFSA-N 1 0 378.497 3.933 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC001307687886 1049507137 /nfs/dbraw/zinc/50/71/37/1049507137.db2.gz CJHXDKRCSNCCDJ-HSZRJFAPSA-N 1 0 375.472 3.857 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC001307696936 1049514729 /nfs/dbraw/zinc/51/47/29/1049514729.db2.gz QFUDEMYGTKLECD-ZEQRLZLVSA-N 1 0 375.516 3.958 20 30 GHEDRO O=C(N1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)Cc2ccccc21)C(F)(F)F ZINC001307915632 1049691312 /nfs/dbraw/zinc/69/13/12/1049691312.db2.gz VSOYINSYIHWEBU-KRWDZBQOSA-N 1 0 392.808 3.801 20 30 GHEDRO CC(C)c1ccc(OCCNC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC001307924866 1049700629 /nfs/dbraw/zinc/70/06/29/1049700629.db2.gz WFSPYYVICSXYOW-UHFFFAOYSA-N 1 0 379.504 3.702 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc2c(c1)CCCO2 ZINC001307947660 1049716498 /nfs/dbraw/zinc/71/64/98/1049716498.db2.gz OHVHRNDOHJMFBE-VQFNIZELSA-N 1 0 383.536 3.982 20 30 GHEDRO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC001308009881 1049758842 /nfs/dbraw/zinc/75/88/42/1049758842.db2.gz GKYBHJCFVMJQFJ-FXAWDEMLSA-N 1 0 394.918 3.947 20 30 GHEDRO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CCc1cccc(C#N)c1 ZINC001308016871 1049766734 /nfs/dbraw/zinc/76/67/34/1049766734.db2.gz QTTKZNRSWMWJLG-OAHLLOKOSA-N 1 0 387.886 3.872 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001308041431 1049792724 /nfs/dbraw/zinc/79/27/24/1049792724.db2.gz ZYIUNCZWAZHXET-KRWDZBQOSA-N 1 0 375.900 3.679 20 30 GHEDRO Fc1ccc(C#CC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC001308074304 1049820438 /nfs/dbraw/zinc/82/04/38/1049820438.db2.gz LSFGQUXSUFHBPE-WOJBJXKFSA-N 1 0 376.397 3.830 20 30 GHEDRO COCC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308083970 1049828737 /nfs/dbraw/zinc/82/87/37/1049828737.db2.gz YHVCXHDFPOLFCG-HSZRJFAPSA-N 1 0 391.515 3.819 20 30 GHEDRO C=CC(C)(C)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001290416315 1049833464 /nfs/dbraw/zinc/83/34/64/1049833464.db2.gz RWZBDIKWBPMAGN-UHFFFAOYSA-N 1 0 383.458 3.546 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001308092317 1049839288 /nfs/dbraw/zinc/83/92/88/1049839288.db2.gz HPVQKHSAHUDIPN-UHFFFAOYSA-N 1 0 391.512 3.523 20 30 GHEDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001308118975 1049863140 /nfs/dbraw/zinc/86/31/40/1049863140.db2.gz XGIMTEKREYZRHM-LJQANCHMSA-N 1 0 376.269 3.523 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]c2ccccc2c1C#N)c1cccc(OC)c1 ZINC001290524000 1049870117 /nfs/dbraw/zinc/87/01/17/1049870117.db2.gz QLPYXEBASYFKKL-OAQYLSRUSA-N 1 0 390.487 3.861 20 30 GHEDRO CCO[C@H](C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CC1 ZINC001308125787 1049870575 /nfs/dbraw/zinc/87/05/75/1049870575.db2.gz YSXDCUMGAILGPZ-GMTAPVOTSA-N 1 0 381.307 3.904 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC001308419257 1049972055 /nfs/dbraw/zinc/97/20/55/1049972055.db2.gz QQPVNMBUPAEBPT-KRWDZBQOSA-N 1 0 380.326 3.740 20 30 GHEDRO CN1c2ccccc2C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1=O ZINC001308460737 1049981750 /nfs/dbraw/zinc/98/17/50/1049981750.db2.gz FZOUXBTYQVOJAR-HSZRJFAPSA-N 1 0 397.478 3.815 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC001308535216 1050001252 /nfs/dbraw/zinc/00/12/52/1050001252.db2.gz NFJZRGICOLRXDT-INIZCTEOSA-N 1 0 390.447 3.660 20 30 GHEDRO Cc1csc2nc(C)c(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)n12 ZINC001308596075 1050025316 /nfs/dbraw/zinc/02/53/16/1050025316.db2.gz HWNAVUHDZVHJMA-UHFFFAOYSA-N 1 0 393.516 3.735 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC001308845478 1050120949 /nfs/dbraw/zinc/12/09/49/1050120949.db2.gz IZJKHFZVUJFKNO-CYBMUJFWSA-N 1 0 391.537 3.932 20 30 GHEDRO C#Cc1ccc(NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001308960187 1050219841 /nfs/dbraw/zinc/21/98/41/1050219841.db2.gz FFNBXWRZZFSXFD-UHFFFAOYSA-N 1 0 377.916 3.722 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1Cl ZINC001309010215 1050269182 /nfs/dbraw/zinc/26/91/82/1050269182.db2.gz AURRAICXZKMGCU-UHFFFAOYSA-N 1 0 395.956 3.679 20 30 GHEDRO CCOc1cc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC001327975788 1050342584 /nfs/dbraw/zinc/34/25/84/1050342584.db2.gz RIGSXJKLQMRHPN-UHFFFAOYSA-N 1 0 389.402 3.677 20 30 GHEDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC001310007424 1051097263 /nfs/dbraw/zinc/09/72/63/1051097263.db2.gz HRAOWKFHLYIORF-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO Cc1ncc(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001332389490 1051510665 /nfs/dbraw/zinc/51/06/65/1051510665.db2.gz CDOVKQDSJKAQJZ-AWEZNQCLSA-N 1 0 378.542 3.861 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@H]1C(F)(F)F ZINC001333724767 1051821849 /nfs/dbraw/zinc/82/18/49/1051821849.db2.gz SZLJEOZBVBXDIN-DJIMGWMZSA-N 1 0 384.398 3.589 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cc(CC#N)ccn3)cc2)C1 ZINC001311074069 1051827339 /nfs/dbraw/zinc/82/73/39/1051827339.db2.gz DVHYWQSSQNXLEV-KRWDZBQOSA-N 1 0 377.492 3.701 20 30 GHEDRO N#CCc1ccnc(NC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC001311074178 1051828125 /nfs/dbraw/zinc/82/81/25/1051828125.db2.gz YLZGIAZAUMUJSZ-UHFFFAOYSA-N 1 0 385.471 3.648 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC001311126566 1051881371 /nfs/dbraw/zinc/88/13/71/1051881371.db2.gz YZXZBDOIVKKWTR-UHFFFAOYSA-N 1 0 394.523 3.533 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)n3)cc2)C1 ZINC001311157970 1051913023 /nfs/dbraw/zinc/91/30/23/1051913023.db2.gz NVTXCJMKUMWLKO-QZTJIDSGSA-N 1 0 391.519 3.947 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1)C(C)C ZINC001311388571 1052080441 /nfs/dbraw/zinc/08/04/41/1052080441.db2.gz OVVXXRNKMBOKJS-DFQSSKMNSA-N 1 0 391.581 3.918 20 30 GHEDRO CN(C)C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC001335461531 1052107853 /nfs/dbraw/zinc/10/78/53/1052107853.db2.gz WQTYRPSEGLEKLY-MOPGFXCFSA-N 1 0 377.410 3.503 20 30 GHEDRO C#C[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC001311404219 1052109356 /nfs/dbraw/zinc/10/93/56/1052109356.db2.gz OCFYYMSWDAWACW-NRFANRHFSA-N 1 0 381.907 3.762 20 30 GHEDRO C#CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCCc2ccccc21 ZINC001311642929 1052295426 /nfs/dbraw/zinc/29/54/26/1052295426.db2.gz AUZBTPNQASNBIY-UPVQGACJSA-N 1 0 389.543 3.882 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001311671511 1052317643 /nfs/dbraw/zinc/31/76/43/1052317643.db2.gz AEFTYFNDGSOLKC-PLJZGSKRSA-N 1 0 382.552 3.834 20 30 GHEDRO N#CCC[C@H](NC(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC001336863112 1052353994 /nfs/dbraw/zinc/35/39/94/1052353994.db2.gz JXDAMFSSVPLKDA-MIZPHKNDSA-N 1 0 390.487 3.587 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001312163986 1052608452 /nfs/dbraw/zinc/60/84/52/1052608452.db2.gz ILTJREMLTXVCMZ-UGKGYDQZSA-N 1 0 391.515 3.551 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)NCC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC001312818066 1052881241 /nfs/dbraw/zinc/88/12/41/1052881241.db2.gz UWNHVTDBRHWDSJ-MRXNPFEDSA-N 1 0 384.446 3.937 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC001342417150 1053158610 /nfs/dbraw/zinc/15/86/10/1053158610.db2.gz ZKIVPDNRCQSEAS-LJQANCHMSA-N 1 0 381.524 3.623 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001313712251 1053184782 /nfs/dbraw/zinc/18/47/82/1053184782.db2.gz MDLXKDTZGOMJMI-PMACEKPBSA-N 1 0 378.524 3.537 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3[nH]cnc3c2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342530024 1053219734 /nfs/dbraw/zinc/21/97/34/1053219734.db2.gz WEFVEOPHGVQLGQ-UHFFFAOYSA-N 1 0 393.539 3.708 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342726134 1053322814 /nfs/dbraw/zinc/32/28/14/1053322814.db2.gz GXTQFEAKZNGHCO-UHFFFAOYSA-N 1 0 392.551 3.898 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001342829188 1053378458 /nfs/dbraw/zinc/37/84/58/1053378458.db2.gz WQPCBEUWPKGSST-WOJBJXKFSA-N 1 0 386.588 3.871 20 30 GHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)[NH+](C)C)C1CCCCC1 ZINC001314648946 1053549607 /nfs/dbraw/zinc/54/96/07/1053549607.db2.gz QMTKPBWRMBAFOP-NRFANRHFSA-N 1 0 392.551 3.926 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001314925751 1053676048 /nfs/dbraw/zinc/67/60/48/1053676048.db2.gz ALYVCTLCFWMXRR-PGRDOPGGSA-N 1 0 396.514 3.507 20 30 GHEDRO N#C[C@@H]1CC[C@@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC001343401947 1053750884 /nfs/dbraw/zinc/75/08/84/1053750884.db2.gz WPIFKUNYBABRIJ-NCXUSEDFSA-N 1 0 381.501 3.594 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCN2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001343457500 1053782394 /nfs/dbraw/zinc/78/23/94/1053782394.db2.gz OJMDDTAIJKFEMX-QGZVFWFLSA-N 1 0 386.569 3.770 20 30 GHEDRO N#CCCCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1Cc1cccs1 ZINC001343526151 1053841416 /nfs/dbraw/zinc/84/14/16/1053841416.db2.gz KVEOHRYBEGPFHH-UHFFFAOYSA-N 1 0 398.580 3.689 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343540301 1053855554 /nfs/dbraw/zinc/85/55/54/1053855554.db2.gz AXDHJOPUSGWCLY-SFHVURJKSA-N 1 0 393.539 3.516 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001343554858 1053874316 /nfs/dbraw/zinc/87/43/16/1053874316.db2.gz VMPMIPLSCVNETH-ROUUACIJSA-N 1 0 377.577 3.898 20 30 GHEDRO CC(C)[C@H]1CN(c2nnc([C@@H](C)CCC#N)n2Cc2cccs2)CC[N@@H+]1C ZINC001343585421 1053907241 /nfs/dbraw/zinc/90/72/41/1053907241.db2.gz JPFGYQRXHCSIFZ-FUHWJXTLSA-N 1 0 386.569 3.572 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001317904098 1054298956 /nfs/dbraw/zinc/29/89/56/1054298956.db2.gz XGFVMMHSZFJYCA-UHFFFAOYSA-N 1 0 391.849 3.894 20 30 GHEDRO CC(C)Cn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C1(C#N)CCCC1 ZINC001344434082 1054463893 /nfs/dbraw/zinc/46/38/93/1054463893.db2.gz GYHKYLUQCBUKDN-LJQANCHMSA-N 1 0 384.572 3.582 20 30 GHEDRO Cc1cccc2[nH]c([C@H](C#N)C(=O)CCc3ccc(OCC[NH+](C)C)cc3)nc21 ZINC001344535198 1054549034 /nfs/dbraw/zinc/54/90/34/1054549034.db2.gz XXSWLTGQLPOUGS-LJQANCHMSA-N 1 0 390.487 3.621 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001318531369 1054701884 /nfs/dbraw/zinc/70/18/84/1054701884.db2.gz SJTISHGBIRGIKW-UHFFFAOYSA-N 1 0 382.464 3.954 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC001319160549 1055070086 /nfs/dbraw/zinc/07/00/86/1055070086.db2.gz RNBJAFNHKCJKQU-UHFFFAOYSA-N 1 0 395.469 3.930 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC001345634547 1055176212 /nfs/dbraw/zinc/17/62/12/1055176212.db2.gz IMYFMBWRCXJYPO-REWPJTCUSA-N 1 0 377.488 3.953 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)o2)cc1 ZINC001319492391 1055288801 /nfs/dbraw/zinc/28/88/01/1055288801.db2.gz WXPXPZFHAARYHZ-KRWDZBQOSA-N 1 0 384.443 3.864 20 30 GHEDRO N#Cc1ccc(OCc2cccc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)c2)cc1 ZINC001320496925 1055841647 /nfs/dbraw/zinc/84/16/47/1055841647.db2.gz UMYWVQJKNWOSQP-OAQYLSRUSA-N 1 0 386.455 3.996 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Cl)c(F)c1 ZINC001353928824 1056141989 /nfs/dbraw/zinc/14/19/89/1056141989.db2.gz BCDYWYZXSHGDNI-UHFFFAOYSA-N 1 0 387.886 3.874 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001300468637 1056204336 /nfs/dbraw/zinc/20/43/36/1056204336.db2.gz GMYIHWHKWZPTJN-LJQANCHMSA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001200551980 1056309747 /nfs/dbraw/zinc/30/97/47/1056309747.db2.gz LAEWVWYLLRESJY-UHFFFAOYSA-N 1 0 378.472 3.589 20 30 GHEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN(C)C(=O)OC(C)(C)C ZINC001322072925 1056504594 /nfs/dbraw/zinc/50/45/94/1056504594.db2.gz IIAKUBPNGUAUMJ-KRWDZBQOSA-N 1 0 386.540 3.620 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc(OC)c1O ZINC001322224938 1056579753 /nfs/dbraw/zinc/57/97/53/1056579753.db2.gz AQJOKTWNBXEFHG-UHFFFAOYSA-N 1 0 385.479 3.838 20 30 GHEDRO COc1cc(-c2noc(-c3cccc(C#N)c3C)n2)ccc1OCC[NH+](C)C ZINC001323587459 1056988722 /nfs/dbraw/zinc/98/87/22/1056988722.db2.gz JXVLAMYRIMJNTE-UHFFFAOYSA-N 1 0 378.432 3.533 20 30 GHEDRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000848406095 1057069223 /nfs/dbraw/zinc/06/92/23/1057069223.db2.gz AYZLQNUTHVEJEC-CVEARBPZSA-N 1 0 379.936 3.576 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324115464 1057073658 /nfs/dbraw/zinc/07/36/58/1057073658.db2.gz NLMDHFFCUQODNM-IMCXTFKOSA-N 1 0 397.563 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC001324115071 1057073734 /nfs/dbraw/zinc/07/37/34/1057073734.db2.gz YKFJNZUZCUQBSY-KPRXVCGWSA-N 1 0 381.520 3.990 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cnc(Cl)c(F)c1 ZINC000848427238 1057081463 /nfs/dbraw/zinc/08/14/63/1057081463.db2.gz UKHPRCSKYPXWHN-UHFFFAOYSA-N 1 0 395.935 3.972 20 30 GHEDRO C=CC[C@@H]1NC(=O)N(Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC001325012678 1057262993 /nfs/dbraw/zinc/26/29/93/1057262993.db2.gz UCLGMVUOGOSXOO-QFIPXVFZSA-N 1 0 389.499 3.946 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001325223776 1057292874 /nfs/dbraw/zinc/29/28/74/1057292874.db2.gz RJHBBXWKOWIAAI-JTHBVZDNSA-N 1 0 382.479 3.650 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC001356047421 1057369112 /nfs/dbraw/zinc/36/91/12/1057369112.db2.gz QJFQVDXXFMUKAY-QGZVFWFLSA-N 1 0 390.535 3.626 20 30 GHEDRO C[NH+](C)CCOc1ccc(NCCC(=O)Nc2cccc(C#N)c2)cc1Cl ZINC001325855927 1057374667 /nfs/dbraw/zinc/37/46/67/1057374667.db2.gz VPAZPWBDOAAYJU-UHFFFAOYSA-N 1 0 386.883 3.593 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001356175358 1057418465 /nfs/dbraw/zinc/41/84/65/1057418465.db2.gz BUOHDWXMPMPPMA-FPOVZHCZSA-N 1 0 399.583 3.797 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]Cc2cc(F)ccc2Br)c1 ZINC001326147875 1057422923 /nfs/dbraw/zinc/42/29/23/1057422923.db2.gz UQWWTULVBFKMHH-UHFFFAOYSA-N 1 0 376.229 3.578 20 30 GHEDRO C=C(C)Cn1c(-c2sc(C)nc2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001356316939 1057470304 /nfs/dbraw/zinc/47/03/04/1057470304.db2.gz GXWCABOXSBOVIK-QGZVFWFLSA-N 1 0 388.585 3.763 20 30 GHEDRO C[NH+]=C(NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)NC1CC1 ZINC000849002662 1057509282 /nfs/dbraw/zinc/50/92/82/1057509282.db2.gz XXIQXVDKLOVFKI-HNNXBMFYSA-N 1 0 376.854 3.593 20 30 GHEDRO CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC(C)(C#N)CC1 ZINC001356439522 1057513236 /nfs/dbraw/zinc/51/32/36/1057513236.db2.gz RUAQMUTWSLAIET-FQEVSTJZSA-N 1 0 392.551 3.808 20 30 GHEDRO COc1ccc([C@@H](CNC(=[NH+]Cc2ccccc2)N(C)C)N2CCCC2)cc1 ZINC000849054118 1057564934 /nfs/dbraw/zinc/56/49/34/1057564934.db2.gz HJEZVAVOJGXEMJ-JOCHJYFZSA-N 1 0 380.536 3.540 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)Cc1ccccc1 ZINC001440667670 1058568948 /nfs/dbraw/zinc/56/89/48/1058568948.db2.gz YHWSLVWQAZNCJN-HNNXBMFYSA-N 1 0 376.287 3.768 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC1CC1)C1CCC1 ZINC001339131229 1058973650 /nfs/dbraw/zinc/97/36/50/1058973650.db2.gz RLICBBYKWHYXGD-HXUWFJFHSA-N 1 0 385.556 3.549 20 30 GHEDRO C=CCn1c([C@@H](OC)c2cccs2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339137305 1058976605 /nfs/dbraw/zinc/97/66/05/1058976605.db2.gz NEISPILOTVIAOF-SFHVURJKSA-N 1 0 389.569 3.572 20 30 GHEDRO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444501823 1059330541 /nfs/dbraw/zinc/33/05/41/1059330541.db2.gz JELMJKVCMDHNBW-QFIPXVFZSA-N 1 0 397.563 3.505 20 30 GHEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444501817 1059331879 /nfs/dbraw/zinc/33/18/79/1059331879.db2.gz JELMJKVCMDHNBW-JOCHJYFZSA-N 1 0 397.563 3.505 20 30 GHEDRO S=C(NN=Cc1ccc2c(c1)CCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001339606815 1059341664 /nfs/dbraw/zinc/34/16/64/1059341664.db2.gz ZZPQUXXQQJADOT-UHFFFAOYSA-N 1 0 392.572 3.638 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001445062672 1059453125 /nfs/dbraw/zinc/45/31/25/1059453125.db2.gz QPNHBXGZUWBJPN-UHFFFAOYSA-N 1 0 379.342 3.885 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCCC[C@@H](SC)C1 ZINC001339917132 1059555838 /nfs/dbraw/zinc/55/58/38/1059555838.db2.gz DLCXONLWEGLNIC-XVLXNVKGSA-N 1 0 389.613 3.601 20 30 GHEDRO C=CCn1c(COC2CCC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001340153940 1059729782 /nfs/dbraw/zinc/72/97/82/1059729782.db2.gz FAGXIWQTFRVYRE-RTBURBONSA-N 1 0 387.572 3.624 20 30 GHEDRO C=CCn1c(CSC(C)(C)C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001340297550 1059837868 /nfs/dbraw/zinc/83/78/68/1059837868.db2.gz OSUXRKRVAAHZPJ-ULQDDVLXSA-N 1 0 377.602 3.662 20 30 GHEDRO C=CCn1c([C@@H](C)[C@@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001340302439 1059841982 /nfs/dbraw/zinc/84/19/82/1059841982.db2.gz OAZLVESKZHVQQB-OALUTQOASA-N 1 0 389.588 3.573 20 30 GHEDRO C=CCn1c(-c2cccc3ocnc32)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001340386737 1059905494 /nfs/dbraw/zinc/90/54/94/1059905494.db2.gz YXHNZPLRZXKDGQ-INIZCTEOSA-N 1 0 392.507 3.583 20 30 GHEDRO C=CCn1c([C@@H](O)/C=C/CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001340517612 1059959813 /nfs/dbraw/zinc/95/98/13/1059959813.db2.gz XLJUJOQYODQBOA-SSVWKNEZSA-N 1 0 387.572 3.699 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001340584601 1059986212 /nfs/dbraw/zinc/98/62/12/1059986212.db2.gz WXVDJRSZLGSGCL-VQTJNVASSA-N 1 0 384.572 3.676 20 30 GHEDRO C[C@H]([NH2+]C1(C2CC2)CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001340921003 1060249873 /nfs/dbraw/zinc/24/98/73/1060249873.db2.gz ICEUBAVXQVPGIE-AWEZNQCLSA-N 1 0 387.549 3.764 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc2c([nH]1)c(C)ccc2Br ZINC001448875826 1060289486 /nfs/dbraw/zinc/28/94/86/1060289486.db2.gz XWYLXWPQXCCABZ-UHFFFAOYSA-N 1 0 378.314 3.819 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001449380968 1060393947 /nfs/dbraw/zinc/39/39/47/1060393947.db2.gz BVAGCIVTXFEAPL-PMACEKPBSA-N 1 0 397.604 3.678 20 30 GHEDRO CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001449504315 1060416708 /nfs/dbraw/zinc/41/67/08/1060416708.db2.gz VPAKSLJEBXIRET-HCXYKTFWSA-N 1 0 395.588 3.649 20 30 GHEDRO C#C[C@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccc(Cl)cc1 ZINC001450852027 1060707348 /nfs/dbraw/zinc/70/73/48/1060707348.db2.gz SCIOBNBHWVYRIJ-QFIPXVFZSA-N 1 0 395.934 3.651 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)s1 ZINC001452138911 1060905309 /nfs/dbraw/zinc/90/53/09/1060905309.db2.gz SCSDEGPNZAPJIP-KGLIPLIRSA-N 1 0 388.002 3.684 20 30 GHEDRO C=C(C)Cn1c(-c2cnoc2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001341992968 1060986186 /nfs/dbraw/zinc/98/61/86/1060986186.db2.gz PZFPVCHEMAVXAF-UHFFFAOYSA-N 1 0 392.507 3.530 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001342085648 1061048037 /nfs/dbraw/zinc/04/80/37/1061048037.db2.gz GFJPUSBEUPZXQZ-OAQYLSRUSA-N 1 0 392.551 3.659 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001342271205 1061195111 /nfs/dbraw/zinc/19/51/11/1061195111.db2.gz OAWOCGDLUHWDRY-UHFFFAOYSA-N 1 0 392.507 3.530 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001346221663 1061460359 /nfs/dbraw/zinc/46/03/59/1061460359.db2.gz PAWPDNRQFYVIIV-JOCHJYFZSA-N 1 0 378.520 3.705 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001454211658 1061654679 /nfs/dbraw/zinc/65/46/79/1061654679.db2.gz ROEMDMLHYHKDLF-UHFFFAOYSA-N 1 0 389.455 3.751 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+]2CCC[C@H](C)C2)o1 ZINC001361212017 1061724789 /nfs/dbraw/zinc/72/47/89/1061724789.db2.gz FTAPXNRBHITGBS-HTAPYJJXSA-N 1 0 396.539 3.709 20 30 GHEDRO C=C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1ccccc1 ZINC001347026524 1062057897 /nfs/dbraw/zinc/05/78/97/1062057897.db2.gz UWLCXNSFJYXJPA-HSZRJFAPSA-N 1 0 391.515 3.695 20 30 GHEDRO N#C[C@H]1CC[C@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC001347247003 1062240063 /nfs/dbraw/zinc/24/00/63/1062240063.db2.gz VBFJTLHCCWWHJV-JKLQHZFJSA-N 1 0 375.472 3.533 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001348257978 1062968425 /nfs/dbraw/zinc/96/84/25/1062968425.db2.gz BACRHRSYKRUFQI-JOCHJYFZSA-N 1 0 392.503 3.963 20 30 GHEDRO C#CCNC(=O)CC[N@@H+](CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001459343523 1064068887 /nfs/dbraw/zinc/06/88/87/1064068887.db2.gz KCLFCNCRLWSSIF-UHFFFAOYSA-N 1 0 378.394 3.927 20 30 GHEDRO Cc1ccc(CC2CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC001459806324 1064225265 /nfs/dbraw/zinc/22/52/65/1064225265.db2.gz PQEPUFITVQDBIB-UHFFFAOYSA-N 1 0 386.495 3.549 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCC)cc1 ZINC001459937505 1064286340 /nfs/dbraw/zinc/28/63/40/1064286340.db2.gz XHKFTLDVBWSJIP-FQEVSTJZSA-N 1 0 399.535 3.718 20 30 GHEDRO C=CCn1c([C@H]2CC(C)=NN=C2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001351526040 1064500569 /nfs/dbraw/zinc/50/05/69/1064500569.db2.gz ALRZQIJPJFEQHM-IBGZPJMESA-N 1 0 397.571 3.633 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@H](COCC)C1 ZINC001351534872 1064504420 /nfs/dbraw/zinc/50/44/20/1064504420.db2.gz OIZDGFLVFYENHB-ICSRJNTNSA-N 1 0 387.572 3.797 20 30 GHEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC001463677784 1064544840 /nfs/dbraw/zinc/54/48/40/1064544840.db2.gz UHZFLIYYSIHILT-GOSISDBHSA-N 1 0 391.924 3.573 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC2(C1)CCCCC2 ZINC001352151767 1064887017 /nfs/dbraw/zinc/88/70/17/1064887017.db2.gz QEFZDIMBBSNYSN-FQEVSTJZSA-N 1 0 399.583 3.941 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1CC ZINC001352250121 1064950277 /nfs/dbraw/zinc/95/02/77/1064950277.db2.gz VGQLMIXFLZTNOT-NRFANRHFSA-N 1 0 395.551 3.807 20 30 GHEDRO CCn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C#N ZINC001352356054 1064989887 /nfs/dbraw/zinc/98/98/87/1064989887.db2.gz MBDDTJHGSHRZOV-MJGOQNOKSA-N 1 0 380.540 3.588 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2)C(C)C ZINC001464874120 1065255527 /nfs/dbraw/zinc/25/55/27/1065255527.db2.gz YFZPGXKDQUGCKY-HXUWFJFHSA-N 1 0 385.552 3.731 20 30 GHEDRO C#Cc1cccc(NC(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001464980909 1065304028 /nfs/dbraw/zinc/30/40/28/1065304028.db2.gz OCGXYFPOBXCNEN-KDURUIRLSA-N 1 0 391.515 3.941 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001465384995 1065579143 /nfs/dbraw/zinc/57/91/43/1065579143.db2.gz AURMQSNXXZKIPK-UHFFFAOYSA-N 1 0 397.906 3.793 20 30 GHEDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001465433873 1065610271 /nfs/dbraw/zinc/61/02/71/1065610271.db2.gz QYXUXGUDGPKDFT-UHFFFAOYSA-N 1 0 381.480 3.797 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000847603214 1065730367 /nfs/dbraw/zinc/73/03/67/1065730367.db2.gz APQOKMDUIYBNLW-QGZVFWFLSA-N 1 0 392.459 3.587 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001465672901 1065783685 /nfs/dbraw/zinc/78/36/85/1065783685.db2.gz JVYJXQCZSCBJML-UHFFFAOYSA-N 1 0 385.895 3.996 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001300284901 1065924202 /nfs/dbraw/zinc/92/42/02/1065924202.db2.gz VNHLQNWWZRWICK-IBGZPJMESA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300308390 1065965321 /nfs/dbraw/zinc/96/53/21/1065965321.db2.gz BXYGAQCGLFWAKC-FPOVZHCZSA-N 1 0 379.552 3.599 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[N@H+]1CCC ZINC001300313203 1065972070 /nfs/dbraw/zinc/97/20/70/1065972070.db2.gz CWJXHIUWSKJUHT-CTNGQTDRSA-N 1 0 379.552 3.510 20 30 GHEDRO Cc1cccc(OCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847745310 1066014208 /nfs/dbraw/zinc/01/42/08/1066014208.db2.gz GBFKZVDIQYDBPD-UHFFFAOYSA-N 1 0 378.472 3.723 20 30 GHEDRO COc1ncc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000847746376 1066015918 /nfs/dbraw/zinc/01/59/18/1066015918.db2.gz GCUSDFNGMPIOGE-UHFFFAOYSA-N 1 0 399.878 3.706 20 30 GHEDRO COc1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000847745971 1066020010 /nfs/dbraw/zinc/02/00/10/1066020010.db2.gz UPJZRPJZMNZJOI-UHFFFAOYSA-N 1 0 394.471 3.667 20 30 GHEDRO CC(=O)[C@@H]1C[C@H](CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000847747355 1066024948 /nfs/dbraw/zinc/02/49/48/1066024948.db2.gz GLYHPZVWKWGURO-RTWAWAEBSA-N 1 0 396.531 3.977 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2OCCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847749604 1066035558 /nfs/dbraw/zinc/03/55/58/1066035558.db2.gz WFGBANVGADSGQQ-JOCHJYFZSA-N 1 0 390.483 3.650 20 30 GHEDRO C[N@@H+]1CC[C@H](CCOC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000847817729 1066196442 /nfs/dbraw/zinc/19/64/42/1066196442.db2.gz BXSCTQMANNXVKZ-MRXNPFEDSA-N 1 0 389.927 3.703 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)C ZINC001467090383 1067061234 /nfs/dbraw/zinc/06/12/34/1067061234.db2.gz MUZWGNMYVWBDTE-MRXNPFEDSA-N 1 0 395.891 3.651 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)c1 ZINC001467315038 1067221324 /nfs/dbraw/zinc/22/13/24/1067221324.db2.gz YWOGODMHMBYSCF-QGZVFWFLSA-N 1 0 384.446 3.952 20 30 GHEDRO CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CCN(Cc2ccsc2)CC1 ZINC001357845939 1067300780 /nfs/dbraw/zinc/30/07/80/1067300780.db2.gz BVHCFJFYTBVUSE-QGZVFWFLSA-N 1 0 386.569 3.725 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001467589884 1067373823 /nfs/dbraw/zinc/37/38/23/1067373823.db2.gz ADPITTQRYDVPTP-UHFFFAOYSA-N 1 0 390.531 3.975 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1CC(C)C ZINC001358167592 1067426094 /nfs/dbraw/zinc/42/60/94/1067426094.db2.gz WWWWCXHITYFSDK-IBGZPJMESA-N 1 0 375.561 3.652 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001358305841 1067474571 /nfs/dbraw/zinc/47/45/71/1067474571.db2.gz LUPAONZRQSZBGA-NRFANRHFSA-N 1 0 389.499 3.561 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001467910139 1067524264 /nfs/dbraw/zinc/52/42/64/1067524264.db2.gz ZLAPYPXENXLWPH-UHFFFAOYSA-N 1 0 395.469 3.964 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001358876392 1067590831 /nfs/dbraw/zinc/59/08/31/1067590831.db2.gz IQJRYLQRKHFQOY-APWZRJJASA-N 1 0 385.943 3.931 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001358884844 1067595859 /nfs/dbraw/zinc/59/58/59/1067595859.db2.gz YDZZCVBWELQQNQ-MSOLQXFVSA-N 1 0 390.535 3.861 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001358893194 1067599534 /nfs/dbraw/zinc/59/95/34/1067599534.db2.gz PTGUFUUCFFFEMQ-GOSISDBHSA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCCCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001358909236 1067608242 /nfs/dbraw/zinc/60/82/42/1067608242.db2.gz YNHIXMAPOINQJO-ROUUACIJSA-N 1 0 383.515 3.807 20 30 GHEDRO C#CCCCn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001358920399 1067613608 /nfs/dbraw/zinc/61/36/08/1067613608.db2.gz YGKHZIOHSYSYQV-LJQANCHMSA-N 1 0 379.552 3.836 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CC1([NH+](C)C)CCCCC1 ZINC001358950346 1067626704 /nfs/dbraw/zinc/62/67/04/1067626704.db2.gz HNPWBOKWACTTKF-UHFFFAOYSA-N 1 0 379.552 3.511 20 30 GHEDRO C#CCN(C)c1nnc(CC2CCCC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358952006 1067628149 /nfs/dbraw/zinc/62/81/49/1067628149.db2.gz USENYVGTTBZJDI-IBGZPJMESA-N 1 0 397.592 3.979 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001358973206 1067631983 /nfs/dbraw/zinc/63/19/83/1067631983.db2.gz JMBWPMIDIVZQPQ-FQEVSTJZSA-N 1 0 397.954 3.648 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1CCC1CC[NH+](CC)CC1 ZINC001359005579 1067647374 /nfs/dbraw/zinc/64/73/74/1067647374.db2.gz NOFRRRYGYPDCFI-UHFFFAOYSA-N 1 0 379.552 3.835 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359068986 1067669901 /nfs/dbraw/zinc/66/99/01/1067669901.db2.gz WSMOXSWKTMZVMZ-JOCHJYFZSA-N 1 0 380.540 3.530 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359111160 1067690213 /nfs/dbraw/zinc/69/02/13/1067690213.db2.gz QQLGUWGDUFAOER-IBGZPJMESA-N 1 0 397.571 3.792 20 30 GHEDRO C=C(C)COCCn1c(C2CCCC2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001359132071 1067701692 /nfs/dbraw/zinc/70/16/92/1067701692.db2.gz MHXQSVGMZXPMJF-UHFFFAOYSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359153689 1067713271 /nfs/dbraw/zinc/71/32/71/1067713271.db2.gz OAYZPZQTDIBEMP-UHFFFAOYSA-N 1 0 379.961 3.603 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC001468387964 1067713892 /nfs/dbraw/zinc/71/38/92/1067713892.db2.gz OAJHSOLYDDANAN-HSZRJFAPSA-N 1 0 391.515 3.643 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCCC2)CC1 ZINC001359180894 1067742387 /nfs/dbraw/zinc/74/23/87/1067742387.db2.gz XDOQNBJZNXFFGZ-UHFFFAOYSA-N 1 0 385.581 3.819 20 30 GHEDRO C=CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C1CC1)[NH+](C)C ZINC001359232861 1067836210 /nfs/dbraw/zinc/83/62/10/1067836210.db2.gz HZUSLNQACSZEDG-OAQYLSRUSA-N 1 0 390.535 3.764 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359235210 1067839953 /nfs/dbraw/zinc/83/99/53/1067839953.db2.gz QYXQPVOXVPISQR-HZPDHXFCSA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001359241816 1067851553 /nfs/dbraw/zinc/85/15/53/1067851553.db2.gz DZHOWPFBHRNYEK-UHFFFAOYSA-N 1 0 383.515 3.505 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359244959 1067862790 /nfs/dbraw/zinc/86/27/90/1067862790.db2.gz WOYLALHADZRRDZ-QGZVFWFLSA-N 1 0 385.581 3.984 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@H](C)C[NH+]1CCCCC1)C1CC1 ZINC001359248796 1067894031 /nfs/dbraw/zinc/89/40/31/1067894031.db2.gz BYXGWXIFBWXEBN-GOSISDBHSA-N 1 0 380.540 3.617 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001477915578 1078626075 /nfs/dbraw/zinc/62/60/75/1078626075.db2.gz IXJWZWDRAYVJIS-VQTJNVASSA-N 1 0 391.515 3.503 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359270897 1067937874 /nfs/dbraw/zinc/93/78/74/1067937874.db2.gz FSVXWWHHRVRWQW-MOPGFXCFSA-N 1 0 387.572 3.819 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359271278 1067938418 /nfs/dbraw/zinc/93/84/18/1067938418.db2.gz PZNUDHLBCYTTAZ-MJGOQNOKSA-N 1 0 385.512 3.594 20 30 GHEDRO C=CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001359284339 1067958890 /nfs/dbraw/zinc/95/88/90/1067958890.db2.gz IKESHOYSJZZZFZ-UHFFFAOYSA-N 1 0 395.551 3.840 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359286166 1067966321 /nfs/dbraw/zinc/96/63/21/1067966321.db2.gz BWJPXUFDLALTHW-UHFFFAOYSA-N 1 0 378.524 3.543 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCC[N@H+]2CCC)C1 ZINC001359319807 1068030598 /nfs/dbraw/zinc/03/05/98/1068030598.db2.gz GFCOFXRYYGEFEZ-WOJBJXKFSA-N 1 0 387.572 3.591 20 30 GHEDRO CCCN(C(=O)COc1ccc(C#N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360128648 1068376529 /nfs/dbraw/zinc/37/65/29/1068376529.db2.gz BUJNDPTVEZDYDA-QFIPXVFZSA-N 1 0 391.515 3.840 20 30 GHEDRO C#CCN(C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCc2ccccc21 ZINC001478104919 1078719934 /nfs/dbraw/zinc/71/99/34/1078719934.db2.gz ATABDJWFIRKPQY-HSZRJFAPSA-N 1 0 393.506 3.980 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC[NH+]1CCCCCC1 ZINC001360471183 1068519123 /nfs/dbraw/zinc/51/91/23/1068519123.db2.gz CRWSBGUACNTCNB-KRWDZBQOSA-N 1 0 384.503 3.699 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC001460312707 1068919598 /nfs/dbraw/zinc/91/95/98/1068919598.db2.gz YYHLBOQYXWVIBR-DENIHFKCSA-N 1 0 385.511 3.761 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC001460340226 1068932988 /nfs/dbraw/zinc/93/29/88/1068932988.db2.gz JSPRKGHURQKLTL-MOPGFXCFSA-N 1 0 391.515 3.992 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC001460727619 1069130541 /nfs/dbraw/zinc/13/05/41/1069130541.db2.gz SXZJYNJEEHKOFH-OAHLLOKOSA-N 1 0 379.460 3.523 20 30 GHEDRO C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C)C1CC[NH+](C)CC1 ZINC001478414248 1078857980 /nfs/dbraw/zinc/85/79/80/1078857980.db2.gz VPIKUQOVADAJGK-IBGZPJMESA-N 1 0 379.907 3.915 20 30 GHEDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(C#N)cc1Br ZINC001460873857 1069243514 /nfs/dbraw/zinc/24/35/14/1069243514.db2.gz ZHEZPXGBWYBJDM-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO C#C[C@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccc(Br)cc1 ZINC001470663452 1072675139 /nfs/dbraw/zinc/67/51/39/1072675139.db2.gz NYPJQTCTKPCPAI-KRWDZBQOSA-N 1 0 392.341 3.545 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001471556897 1073132570 /nfs/dbraw/zinc/13/25/70/1073132570.db2.gz JPLZRSCZBGCZMQ-IBGZPJMESA-N 1 0 396.441 3.573 20 30 GHEDRO CC[C@@H](Cc1ccc(F)cc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001478956402 1079037897 /nfs/dbraw/zinc/03/78/97/1079037897.db2.gz ZBLDGYRGBJMPNA-QFIPXVFZSA-N 1 0 396.510 3.792 20 30 GHEDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(C)n1-c1ccc(C#N)cc1 ZINC001472350068 1073438874 /nfs/dbraw/zinc/43/88/74/1073438874.db2.gz OFFBXARZPRQAFD-VWPQPMDRSA-N 1 0 390.531 3.768 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001479094757 1079100579 /nfs/dbraw/zinc/10/05/79/1079100579.db2.gz ZSOUODRRPYKXMU-NHCUHLMSSA-N 1 0 392.632 3.957 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC001472660048 1073601615 /nfs/dbraw/zinc/60/16/15/1073601615.db2.gz KDGAKMWWZNQXFO-ZDUSSCGKSA-N 1 0 376.426 3.870 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cc(NCC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC001472720487 1073634587 /nfs/dbraw/zinc/63/45/87/1073634587.db2.gz NFXNIGDJLMQZPE-UHFFFAOYSA-N 1 0 382.430 3.667 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)C1=O ZINC001473325852 1073921368 /nfs/dbraw/zinc/92/13/68/1073921368.db2.gz ZFYMJGSWDXXRLV-DHIUTWEWSA-N 1 0 378.516 3.972 20 30 GHEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001473368581 1073937097 /nfs/dbraw/zinc/93/70/97/1073937097.db2.gz REAXGINVVJASLS-SFHVURJKSA-N 1 0 389.484 3.750 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCS[C@@H](C)CC3)sc2C1 ZINC001473381669 1073942172 /nfs/dbraw/zinc/94/21/72/1073942172.db2.gz VBAFRHNJVCJYGW-KBPBESRZSA-N 1 0 377.579 3.901 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC001473401060 1073950892 /nfs/dbraw/zinc/95/08/92/1073950892.db2.gz YGKCCXYWPKRPGH-XLIONFOSSA-N 1 0 384.467 3.790 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCCN(c3ccccc3Cl)CC2)c1 ZINC001473451427 1073970045 /nfs/dbraw/zinc/97/00/45/1073970045.db2.gz KHCKFVSWCNTWEM-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001473564418 1074018770 /nfs/dbraw/zinc/01/87/70/1074018770.db2.gz GWERAUSESIRDMD-DEOSSOPVSA-N 1 0 390.458 3.522 20 30 GHEDRO CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001473645502 1074064722 /nfs/dbraw/zinc/06/47/22/1074064722.db2.gz LWRLEPVMQADXAH-CVDCTZTESA-N 1 0 390.531 3.728 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2ccccc2Cl)CC1 ZINC001473723364 1074107968 /nfs/dbraw/zinc/10/79/68/1074107968.db2.gz CJKAPPKYGJHFHX-HXUWFJFHSA-N 1 0 384.907 3.906 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC001473788561 1074143252 /nfs/dbraw/zinc/14/32/52/1074143252.db2.gz OLKTYSPMASKEBH-SIKLNZKXSA-N 1 0 385.511 3.761 20 30 GHEDRO C#CC[N@H+](Cc1cccc2nsnc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473792762 1074144743 /nfs/dbraw/zinc/14/47/43/1074144743.db2.gz RGPSMMIGAPALQT-UHFFFAOYSA-N 1 0 386.521 3.526 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1cccc(SC(F)(F)F)c1 ZINC001473809322 1074154591 /nfs/dbraw/zinc/15/45/91/1074154591.db2.gz PPBLDPJNXDILQE-JTQLQIEISA-N 1 0 393.394 3.769 20 30 GHEDRO CC(C)[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)NC(=O)OC(C)(C)C ZINC001473994969 1074229321 /nfs/dbraw/zinc/22/93/21/1074229321.db2.gz AFZKAVASTHKOHH-INIZCTEOSA-N 1 0 396.329 3.960 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 ZINC001474301539 1074331099 /nfs/dbraw/zinc/33/10/99/1074331099.db2.gz DXPQMQOJVAFORN-OAHLLOKOSA-N 1 0 375.490 3.514 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)ccc1C#N ZINC001474589357 1074473382 /nfs/dbraw/zinc/47/33/82/1074473382.db2.gz YJXIFPTTXKTPFX-MDZRGWNJSA-N 1 0 387.524 3.938 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001493804125 1079297730 /nfs/dbraw/zinc/29/77/30/1079297730.db2.gz CTFVKGDEKJOIRS-SJORKVTESA-N 1 0 384.503 3.554 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001493919682 1079308681 /nfs/dbraw/zinc/30/86/81/1079308681.db2.gz DCIILLDMOMAJET-RTBURBONSA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)CC1)C[NH+]1CCCC1 ZINC001493920230 1079308968 /nfs/dbraw/zinc/30/89/68/1079308968.db2.gz JFRCDOLDJJWSKI-IBGZPJMESA-N 1 0 392.551 3.785 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1C ZINC001475325186 1074834203 /nfs/dbraw/zinc/83/42/03/1074834203.db2.gz SRPUUNAIYXKOLR-MJGOQNOKSA-N 1 0 398.617 3.574 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001496005502 1079446667 /nfs/dbraw/zinc/44/66/67/1079446667.db2.gz VXHFHEGKYSNJEL-ROUUACIJSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001496005500 1079446766 /nfs/dbraw/zinc/44/67/66/1079446766.db2.gz VXHFHEGKYSNJEL-MSOLQXFVSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[C@H](c1nnc(N(C)C[C@@H](C)C#N)n1CC[NH+]1CCCC1)c1ccccc1 ZINC001496341285 1079465647 /nfs/dbraw/zinc/46/56/47/1079465647.db2.gz JXXPFLFREZPGNL-ICSRJNTNSA-N 1 0 380.540 3.512 20 30 GHEDRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C1 ZINC001497544145 1079502302 /nfs/dbraw/zinc/50/23/02/1079502302.db2.gz WTHJOVQKBORIOS-QFIPXVFZSA-N 1 0 378.524 3.539 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001500950771 1079621807 /nfs/dbraw/zinc/62/18/07/1079621807.db2.gz MPSFDETWWFCZAK-HXUWFJFHSA-N 1 0 398.599 3.873 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1OC ZINC000819722184 599396129 /nfs/dbraw/zinc/39/61/29/599396129.db2.gz BKXOANMFOMMURQ-HNNXBMFYSA-N 1 0 379.464 3.681 20 30 GHEDRO N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000833070825 604499433 /nfs/dbraw/zinc/49/94/33/604499433.db2.gz AQANPAWRHHJIMG-YTFSRNRJSA-N 1 0 389.499 3.670 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1)c1ccccc1 ZINC000823893917 608537138 /nfs/dbraw/zinc/53/71/38/608537138.db2.gz BHISLIVHQVGGMR-INIZCTEOSA-N 1 0 396.520 3.781 20 30 GHEDRO C=CCc1cc(C[N@@H+](CC)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc(OC)c1O ZINC000823937070 608548877 /nfs/dbraw/zinc/54/88/77/608548877.db2.gz HAIQPWLULZTDMH-OAHLLOKOSA-N 1 0 393.491 3.893 20 30 GHEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914165 608631433 /nfs/dbraw/zinc/63/14/33/608631433.db2.gz BZWFFNDBLMSXMS-UHFFFAOYSA-N 1 0 385.475 3.753 20 30 GHEDRO Cc1cc(C#N)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1C ZINC001164695284 719890499 /nfs/dbraw/zinc/89/04/99/719890499.db2.gz LKYMXJNQWHBONB-UHFFFAOYSA-N 1 0 382.533 3.503 20 30 GHEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)ccc1C#N ZINC001164734478 720544414 /nfs/dbraw/zinc/54/44/14/720544414.db2.gz IYPLTUSJXWCNCE-AWEZNQCLSA-N 1 0 398.885 3.668 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)ncc1C#N)CC2 ZINC001164839905 720665976 /nfs/dbraw/zinc/66/59/76/720665976.db2.gz KSLSNAJUEIOZNH-LJQANCHMSA-N 1 0 396.922 3.867 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)CC2 ZINC001164786834 721446991 /nfs/dbraw/zinc/44/69/91/721446991.db2.gz NWEZCJIVLOBLHH-OAQYLSRUSA-N 1 0 395.551 3.627 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(C#N)c[nH]c4n3)C[C@H]21 ZINC001165027116 721815310 /nfs/dbraw/zinc/81/53/10/721815310.db2.gz SJDSMTUJTWLCSA-MAODMQOUSA-N 1 0 386.503 3.566 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)C[C@H]21 ZINC001165026060 721820721 /nfs/dbraw/zinc/82/07/21/721820721.db2.gz PAAVZGQKJHDDMC-LDQXTDLNSA-N 1 0 386.503 3.566 20 30 GHEDRO N#Cc1cc(F)c(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955081 722012868 /nfs/dbraw/zinc/01/28/68/722012868.db2.gz STSYOVSMLISCIK-UHFFFAOYSA-N 1 0 385.874 3.633 20 30 GHEDRO Cc1nc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164994463 722200130 /nfs/dbraw/zinc/20/01/30/722200130.db2.gz HKCJPMSMUCWJIW-FQEVSTJZSA-N 1 0 385.874 3.694 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1Cl ZINC000186715345 837387666 /nfs/dbraw/zinc/38/76/66/837387666.db2.gz ABNGPQOEGYBNSO-NRFANRHFSA-N 1 0 381.863 3.672 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(-c4ccccc4)n3C3CC3)CC2)cc1 ZINC000580779046 837407612 /nfs/dbraw/zinc/40/76/12/837407612.db2.gz OPKPVKCLKWDZAV-UHFFFAOYSA-N 1 0 398.514 3.864 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OCC ZINC000176708631 837507458 /nfs/dbraw/zinc/50/74/58/837507458.db2.gz OYNOEZYFAHOODR-WMLDXEAASA-N 1 0 399.516 3.873 20 30 GHEDRO Cc1csc(NC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1C#N ZINC000581466953 837529504 /nfs/dbraw/zinc/52/95/04/837529504.db2.gz HGBZKVVWWKLWHB-UHFFFAOYSA-N 1 0 384.509 3.504 20 30 GHEDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)[C@@H]2C1 ZINC000180816618 837573028 /nfs/dbraw/zinc/57/30/28/837573028.db2.gz QKDFURNAHKRFMN-JRFVFWCSSA-N 1 0 392.499 3.906 20 30 GHEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000608860513 837604638 /nfs/dbraw/zinc/60/46/38/837604638.db2.gz SDEKTERKPMSLDI-XMMPIXPASA-N 1 0 393.531 3.841 20 30 GHEDRO CCCCOc1ncccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180128720 837696866 /nfs/dbraw/zinc/69/68/66/837696866.db2.gz IMAKSGHSVZVLBL-UHFFFAOYSA-N 1 0 375.476 3.822 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000049790180 837699872 /nfs/dbraw/zinc/69/98/72/837699872.db2.gz MDWZUMQBRIOTLQ-NRFANRHFSA-N 1 0 392.503 3.545 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000163556131 837735970 /nfs/dbraw/zinc/73/59/70/837735970.db2.gz MMWPBUQNUDWTKI-JOCHJYFZSA-N 1 0 391.519 3.913 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000180968544 837748973 /nfs/dbraw/zinc/74/89/73/837748973.db2.gz VDGFJOJSLBDWHB-RHSMWYFYSA-N 1 0 394.393 3.590 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000274559370 834412504 /nfs/dbraw/zinc/41/25/04/834412504.db2.gz WBSUMQNDBPQOPA-HXUWFJFHSA-N 1 0 375.513 3.553 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136537463 834540164 /nfs/dbraw/zinc/54/01/64/834540164.db2.gz CPEIBCWBKVJWMO-IBGZPJMESA-O 1 0 397.564 3.718 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000583548447 834627697 /nfs/dbraw/zinc/62/76/97/834627697.db2.gz SVGAVRDTVVWWSJ-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583554949 834631996 /nfs/dbraw/zinc/63/19/96/834631996.db2.gz BJQSDRYWMFEIHL-BPXKWBHBSA-N 1 0 380.536 3.888 20 30 GHEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000158845543 834632201 /nfs/dbraw/zinc/63/22/01/834632201.db2.gz YCLBTQWAYTYYON-MRXNPFEDSA-N 1 0 385.458 3.920 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584457720 834690498 /nfs/dbraw/zinc/69/04/98/834690498.db2.gz YIIMTOGCADQNNT-CWFSZBLJSA-N 1 0 393.934 3.793 20 30 GHEDRO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430163917 834716041 /nfs/dbraw/zinc/71/60/41/834716041.db2.gz AMKZJVQFVHUGSM-NRFANRHFSA-N 1 0 387.487 3.916 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000611905599 834920690 /nfs/dbraw/zinc/92/06/90/834920690.db2.gz HWUBGBLRVWYEQY-HSZRJFAPSA-N 1 0 396.579 3.888 20 30 GHEDRO N#C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC12CCCC2 ZINC000583733612 834958049 /nfs/dbraw/zinc/95/80/49/834958049.db2.gz LMCKHZKUFVSOFJ-FXAWDEMLSA-N 1 0 391.437 3.870 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCNC(=O)C3CCC3)c2)c1 ZINC000176987637 837832071 /nfs/dbraw/zinc/83/20/71/837832071.db2.gz JTWAZOYPWADTRT-UHFFFAOYSA-N 1 0 377.488 3.533 20 30 GHEDRO Cc1sc(NC(=O)CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(C#N)c1C ZINC000611938041 835083447 /nfs/dbraw/zinc/08/34/47/835083447.db2.gz GVWYXENYURSMRG-FQEVSTJZSA-N 1 0 396.560 3.992 20 30 GHEDRO CCOCc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433315974 844017583 /nfs/dbraw/zinc/01/75/83/844017583.db2.gz ZYCSLOGDSHFTOG-UHFFFAOYSA-N 1 0 375.476 3.685 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000583827266 835105506 /nfs/dbraw/zinc/10/55/06/835105506.db2.gz YDUTUHQVFLPCQX-UHFFFAOYSA-N 1 0 388.515 3.923 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000579821401 835124251 /nfs/dbraw/zinc/12/42/51/835124251.db2.gz UFLJWVGPYHJWIX-UXHICEINSA-N 1 0 397.567 3.826 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000579821403 835124285 /nfs/dbraw/zinc/12/42/85/835124285.db2.gz UFLJWVGPYHJWIX-WOJBJXKFSA-N 1 0 397.567 3.826 20 30 GHEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000610215569 835174941 /nfs/dbraw/zinc/17/49/41/835174941.db2.gz AEFMHKBITTYHOF-CQSZACIVSA-N 1 0 398.334 3.845 20 30 GHEDRO Cc1nc2ccccc2n1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433342237 844028866 /nfs/dbraw/zinc/02/88/66/844028866.db2.gz KFNFOWPJOFWUCP-UHFFFAOYSA-N 1 0 399.502 3.697 20 30 GHEDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000097492846 835254505 /nfs/dbraw/zinc/25/45/05/835254505.db2.gz USVYNPZUXUWFOT-NRFANRHFSA-N 1 0 397.544 3.519 20 30 GHEDRO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329605352 835345113 /nfs/dbraw/zinc/34/51/13/835345113.db2.gz HMCRWXADJPQBRT-TZUVLKIQSA-N 1 0 393.528 3.858 20 30 GHEDRO C[C@H]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000433369464 844055896 /nfs/dbraw/zinc/05/58/96/844055896.db2.gz XCLFUXJTWKMVJZ-REWPJTCUSA-N 1 0 375.516 3.882 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508813472 844060124 /nfs/dbraw/zinc/06/01/24/844060124.db2.gz OVKREMMJGJFQGJ-UHFFFAOYSA-N 1 0 395.551 3.806 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179493129 835586294 /nfs/dbraw/zinc/58/62/94/835586294.db2.gz YJYIUQHBOZPGPR-MRXNPFEDSA-N 1 0 390.409 3.812 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H](C#N)CCc2ccccc2)cc1 ZINC000433380669 844075053 /nfs/dbraw/zinc/07/50/53/844075053.db2.gz DOFAXZVLLOWSLD-GMAHTHKFSA-N 1 0 391.515 3.721 20 30 GHEDRO CC(C)c1ccc(O[C@@H](C)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000584168617 835721231 /nfs/dbraw/zinc/72/12/31/835721231.db2.gz STHJWMRPHARJAM-KRWDZBQOSA-N 1 0 386.517 3.512 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000584194549 835745605 /nfs/dbraw/zinc/74/56/05/835745605.db2.gz NNMMPDBJXZAECE-HXUWFJFHSA-N 1 0 399.585 3.932 20 30 GHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccccc1 ZINC000188186301 835849574 /nfs/dbraw/zinc/84/95/74/835849574.db2.gz NKYSNTMNCGCKED-UHFFFAOYSA-N 1 0 385.581 3.639 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000278719942 835873530 /nfs/dbraw/zinc/87/35/30/835873530.db2.gz MEQMLGGDTWCGAV-OAQYLSRUSA-N 1 0 385.533 3.627 20 30 GHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159601440 835948401 /nfs/dbraw/zinc/94/84/01/835948401.db2.gz XCJSDZKHKSVYCK-UONOGXRCSA-N 1 0 383.330 3.768 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCN(C(=O)CCc3ccccc3)C2)c(O)c1 ZINC000255848059 835956685 /nfs/dbraw/zinc/95/66/85/835956685.db2.gz WQGABOUKIWVBEQ-GPXZHFRMSA-N 1 0 393.531 3.891 20 30 GHEDRO N#CCc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000569806001 836024944 /nfs/dbraw/zinc/02/49/44/836024944.db2.gz BWNVWLSGBXXLLC-IBGZPJMESA-N 1 0 382.533 3.526 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549688325 844118479 /nfs/dbraw/zinc/11/84/79/844118479.db2.gz NERLFCIUJUYDGT-IBGZPJMESA-N 1 0 397.542 3.896 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177152895 836073461 /nfs/dbraw/zinc/07/34/61/836073461.db2.gz WBTPAVGQXWWXGI-GOSISDBHSA-N 1 0 395.484 3.777 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584478548 836201707 /nfs/dbraw/zinc/20/17/07/836201707.db2.gz VDKCTIWCGMGFSR-LJQANCHMSA-N 1 0 386.417 3.695 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000065930360 836251962 /nfs/dbraw/zinc/25/19/62/836251962.db2.gz IILSMNSUJKSKHJ-UHFFFAOYSA-N 1 0 399.922 3.961 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1 ZINC000065931358 836254351 /nfs/dbraw/zinc/25/43/51/836254351.db2.gz URKDPQJUMKDEDI-UHFFFAOYSA-N 1 0 386.293 3.525 20 30 GHEDRO Cc1cccc(OCCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065931156 836256217 /nfs/dbraw/zinc/25/62/17/836256217.db2.gz JLOYQWOSZLJWOG-UHFFFAOYSA-N 1 0 379.504 3.616 20 30 GHEDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000179884671 836265510 /nfs/dbraw/zinc/26/55/10/836265510.db2.gz XKMUUFUCTBHCEG-HXUWFJFHSA-N 1 0 388.471 3.621 20 30 GHEDRO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187256849 836359740 /nfs/dbraw/zinc/35/97/40/836359740.db2.gz ROPASZJRNLAACU-WZONZLPQSA-N 1 0 379.504 3.915 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000612561976 836406668 /nfs/dbraw/zinc/40/66/68/836406668.db2.gz RGGWVPFRDSAFLN-MRXNPFEDSA-N 1 0 393.491 3.940 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc(CC#N)cc3)c(C)c2)CC1 ZINC000582000276 844163175 /nfs/dbraw/zinc/16/31/75/844163175.db2.gz GOANRTBKECMKKT-UHFFFAOYSA-N 1 0 391.519 3.525 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704607 844163984 /nfs/dbraw/zinc/16/39/84/844163984.db2.gz ATLNGMROPFNXOB-FQEVSTJZSA-N 1 0 396.466 3.904 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178160601 836444737 /nfs/dbraw/zinc/44/47/37/836444737.db2.gz YLFAIFWRIODTEG-UHFFFAOYSA-N 1 0 396.466 3.762 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000579887261 836545814 /nfs/dbraw/zinc/54/58/14/836545814.db2.gz VWTGQNMDTOCPGO-HOTGVXAUSA-N 1 0 394.475 3.915 20 30 GHEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C2CC2)cc1 ZINC000180030015 836780932 /nfs/dbraw/zinc/78/09/32/836780932.db2.gz INDMDTCKQQZZEG-UHFFFAOYSA-N 1 0 389.499 3.628 20 30 GHEDRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000247116234 836857938 /nfs/dbraw/zinc/85/79/38/836857938.db2.gz UGIWFBXYEWSGOH-PGRDOPGGSA-N 1 0 380.561 3.687 20 30 GHEDRO Cc1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)nn1-c1cccc(C#N)c1 ZINC000540945248 836968854 /nfs/dbraw/zinc/96/88/54/836968854.db2.gz AYHLXKODRBWPOG-HSZRJFAPSA-N 1 0 399.498 3.619 20 30 GHEDRO CC(C)N(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccc(C#N)cc1 ZINC001167248609 837031352 /nfs/dbraw/zinc/03/13/52/837031352.db2.gz YAYZPMHHDDCJHZ-UHFFFAOYSA-N 1 0 377.404 3.927 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(C)cc1 ZINC000027480013 837053540 /nfs/dbraw/zinc/05/35/40/837053540.db2.gz MYRUZVKFQUNTLP-UHFFFAOYSA-O 1 0 395.520 3.842 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000027488033 837054570 /nfs/dbraw/zinc/05/45/70/837054570.db2.gz IWFUBMZGOGJXHG-QAPCUYQASA-O 1 0 398.508 3.989 20 30 GHEDRO C=CCCC(C)(C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000658978547 837097467 /nfs/dbraw/zinc/09/74/67/837097467.db2.gz MEBLTKPMGBZWAM-UHFFFAOYSA-N 1 0 385.552 3.761 20 30 GHEDRO Cc1cc(C)c(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccccc2)cc1C ZINC000028605952 837134894 /nfs/dbraw/zinc/13/48/94/837134894.db2.gz GOXHZWWTZNIIQI-GOSISDBHSA-O 1 0 383.537 3.607 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2CC[NH2+]CC[C@H]2F)c(Br)c1 ZINC001218015071 837213514 /nfs/dbraw/zinc/21/35/14/837213514.db2.gz JIDFKRMULYUQHE-VXGBXAGGSA-N 1 0 392.066 3.552 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(-n3nc(C[NH3+])c4ccccc43)nn2)c1 ZINC001167697555 837249650 /nfs/dbraw/zinc/24/96/50/837249650.db2.gz FTNXUIMJHCLYLC-UHFFFAOYSA-N 1 0 394.360 3.832 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000376447623 837296734 /nfs/dbraw/zinc/29/67/34/837296734.db2.gz GQTBLAPVZDPZLC-QFIPXVFZSA-N 1 0 381.426 3.575 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2ccc(OCC)cc2)CCOCC1 ZINC000066392065 837360286 /nfs/dbraw/zinc/36/02/86/837360286.db2.gz VUPMMZUPYDIWMT-LJQANCHMSA-N 1 0 388.552 3.536 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549320592 837867919 /nfs/dbraw/zinc/86/79/19/837867919.db2.gz BYTRLTUUPUTNHM-LJQANCHMSA-N 1 0 378.524 3.561 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000048977853 837870398 /nfs/dbraw/zinc/87/03/98/837870398.db2.gz LKKAHDSIDDNAOH-HXUWFJFHSA-N 1 0 382.895 3.848 20 30 GHEDRO CC(C)CN1CCO[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236797222 837909599 /nfs/dbraw/zinc/90/95/99/837909599.db2.gz SWBJCEFDSMKTSA-DEOSSOPVSA-N 1 0 393.531 3.584 20 30 GHEDRO CC1(C)CC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC(C)(C)[NH2+]1 ZINC000048364073 837919349 /nfs/dbraw/zinc/91/93/49/837919349.db2.gz MWCBBNSZUQGKIA-UHFFFAOYSA-N 1 0 381.476 3.769 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000177565786 837970204 /nfs/dbraw/zinc/97/02/04/837970204.db2.gz ZPPZDDIGHYMYSG-LEWJYISDSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000415798596 838114503 /nfs/dbraw/zinc/11/45/03/838114503.db2.gz BCGGWVZPXSGKRH-WFASDCNBSA-N 1 0 382.302 3.605 20 30 GHEDRO Cn1cc(-c2ccc(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)s2)cn1 ZINC000549383679 838235194 /nfs/dbraw/zinc/23/51/94/838235194.db2.gz AFKDNVKPFPQRKJ-UHFFFAOYSA-N 1 0 391.544 3.728 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000415905692 838260395 /nfs/dbraw/zinc/26/03/95/838260395.db2.gz IUCBNBIJATWRPV-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000782887742 838272230 /nfs/dbraw/zinc/27/22/30/838272230.db2.gz SOBGFPOSDHCATG-UHFFFAOYSA-N 1 0 381.505 3.605 20 30 GHEDRO C=CCc1cc(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc(OC)c1OC ZINC000415950010 838306406 /nfs/dbraw/zinc/30/64/06/838306406.db2.gz CRQRKCCUDZFMEB-UHFFFAOYSA-N 1 0 399.466 3.539 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182013259 838315083 /nfs/dbraw/zinc/31/50/83/838315083.db2.gz KNQZWBTUCUIJOF-QMHKHESXSA-N 1 0 395.478 3.864 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000415962635 838322762 /nfs/dbraw/zinc/32/27/62/838322762.db2.gz XHOJOFXXPUXXLR-SFHVURJKSA-N 1 0 395.482 3.597 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc(C)cc(C)c1 ZINC000189625530 838331506 /nfs/dbraw/zinc/33/15/06/838331506.db2.gz RYPITFAVCPVFSD-HSZRJFAPSA-N 1 0 391.515 3.643 20 30 GHEDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000189673642 838356062 /nfs/dbraw/zinc/35/60/62/838356062.db2.gz OXJLZVRRAHFIDO-QFIPXVFZSA-N 1 0 386.540 3.657 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000187899126 838382130 /nfs/dbraw/zinc/38/21/30/838382130.db2.gz FUZWILXHFRBCGK-GOSISDBHSA-N 1 0 385.552 3.571 20 30 GHEDRO CCOc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000122840408 838390897 /nfs/dbraw/zinc/39/08/97/838390897.db2.gz QXRQABJVTLEPEJ-UHFFFAOYSA-N 1 0 379.504 3.673 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(C#N)c1C ZINC000178559505 838402984 /nfs/dbraw/zinc/40/29/84/838402984.db2.gz FYNXXPJHYHWTSQ-HXUWFJFHSA-N 1 0 377.492 3.780 20 30 GHEDRO CCOc1ccc([C@H]2CCCN2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128409398 838406871 /nfs/dbraw/zinc/40/68/71/838406871.db2.gz FJLLGBKGKQTTSJ-OAQYLSRUSA-N 1 0 384.501 3.568 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178577175 838408262 /nfs/dbraw/zinc/40/82/62/838408262.db2.gz JGLSATPGICJAKD-CALCHBBNSA-N 1 0 392.503 3.798 20 30 GHEDRO C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000416034367 838438075 /nfs/dbraw/zinc/43/80/75/838438075.db2.gz TXWKYENYGFEFSH-ACJLOTCBSA-N 1 0 390.409 3.865 20 30 GHEDRO CC(C)N(C(=O)CON=C(N)c1ccc(Br)cc1)c1ccccc1 ZINC000782949560 838502504 /nfs/dbraw/zinc/50/25/04/838502504.db2.gz WRSTXHFSBHZBLR-UHFFFAOYSA-N 1 0 390.281 3.528 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000188110686 838526009 /nfs/dbraw/zinc/52/60/09/838526009.db2.gz YATQYRWZLXLWSY-UHFFFAOYSA-N 1 0 381.476 3.678 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549113728 838563506 /nfs/dbraw/zinc/56/35/06/838563506.db2.gz QNQWLXKOUAJRBT-NQIIRXRSSA-N 1 0 389.421 3.909 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549398827 838579112 /nfs/dbraw/zinc/57/91/12/838579112.db2.gz IKZOBBUGCWXTOV-UYAOXDASSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(C#N)c1 ZINC000610352703 838640530 /nfs/dbraw/zinc/64/05/30/838640530.db2.gz MIQYXQZTURQRPQ-AEFFLSMTSA-N 1 0 382.533 3.892 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccnc(N4CCCCC4)c3)CC2)cc1 ZINC000181523920 838721566 /nfs/dbraw/zinc/72/15/66/838721566.db2.gz QWUWOQHYXNAZSD-UHFFFAOYSA-N 1 0 389.547 3.698 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000378331241 838869693 /nfs/dbraw/zinc/86/96/93/838869693.db2.gz JGGCWNNMMDKCOU-UHFFFAOYSA-N 1 0 382.552 3.651 20 30 GHEDRO COc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1OCC[NH+](C)C ZINC000416334666 838982534 /nfs/dbraw/zinc/98/25/34/838982534.db2.gz QWPDFIDHZBKIOS-SFHVURJKSA-N 1 0 381.476 3.662 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1F ZINC000377199692 839081708 /nfs/dbraw/zinc/08/17/08/839081708.db2.gz VGCSLAKAWVUEBD-SFHVURJKSA-N 1 0 395.482 3.929 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000565088962 839113649 /nfs/dbraw/zinc/11/36/49/839113649.db2.gz PNKCEYQROHYFKH-GOSISDBHSA-N 1 0 381.907 3.705 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCc3ccc(F)cc3)C3CC3)C2=O)cc1 ZINC001167372200 839137430 /nfs/dbraw/zinc/13/74/30/839137430.db2.gz MSMZQSJNIKHFDQ-JOCHJYFZSA-N 1 0 377.463 3.900 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415118683 839231298 /nfs/dbraw/zinc/23/12/98/839231298.db2.gz HFBHAJKOQPIKGK-APWZRJJASA-N 1 0 378.476 3.647 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415121296 839241178 /nfs/dbraw/zinc/24/11/78/839241178.db2.gz JUNUFLQIHXPVMH-IAGOWNOFSA-N 1 0 378.476 3.660 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415121815 839243011 /nfs/dbraw/zinc/24/30/11/839243011.db2.gz KQRFAFCSZFFMHO-JOCHJYFZSA-N 1 0 378.476 3.695 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183219288 839252035 /nfs/dbraw/zinc/25/20/35/839252035.db2.gz XCMUGAPXPZYPEX-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000580317797 839260609 /nfs/dbraw/zinc/26/06/09/839260609.db2.gz DHOJGAOAWDJBLC-UHFFFAOYSA-N 1 0 386.521 3.900 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415162408 839306130 /nfs/dbraw/zinc/30/61/30/839306130.db2.gz NXRMNFRECNVPBD-KGLIPLIRSA-N 1 0 382.489 3.535 20 30 GHEDRO CN1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000378599612 839404527 /nfs/dbraw/zinc/40/45/27/839404527.db2.gz XGJRJNRDYPFPPW-IAGOWNOFSA-N 1 0 378.879 3.560 20 30 GHEDRO CN1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000378599611 839404646 /nfs/dbraw/zinc/40/46/46/839404646.db2.gz XGJRJNRDYPFPPW-DLBZAZTESA-N 1 0 378.879 3.560 20 30 GHEDRO C[C@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000074917905 839423338 /nfs/dbraw/zinc/42/33/38/839423338.db2.gz KEPUHUBGMIHQPP-IBGZPJMESA-N 1 0 378.520 3.825 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[NH+]2CCCC2)o1 ZINC000416698354 839548093 /nfs/dbraw/zinc/54/80/93/839548093.db2.gz WDIZCZXVVQIBAU-SFTDATJTSA-N 1 0 392.503 3.973 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000580501879 839700815 /nfs/dbraw/zinc/70/08/15/839700815.db2.gz SWNYXZCBSHTMBZ-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc2ccccc2n1CC#N ZINC000610445839 839734178 /nfs/dbraw/zinc/73/41/78/839734178.db2.gz IAQBHKPLNDQKJL-LJQANCHMSA-N 1 0 386.499 3.901 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)c1ccccc1 ZINC000160531873 839741893 /nfs/dbraw/zinc/74/18/93/839741893.db2.gz RGQIQGSRMGCCSP-HXUWFJFHSA-N 1 0 380.492 3.629 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)F ZINC000415515194 839888761 /nfs/dbraw/zinc/88/87/61/839888761.db2.gz HRDPMYFFQJNWDF-ZJUUUORDSA-N 1 0 393.278 3.591 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c(C#N)c1C ZINC000610451308 839924765 /nfs/dbraw/zinc/92/47/65/839924765.db2.gz OPGHCZQVSUQOHM-SJLPKXTDSA-N 1 0 394.519 3.692 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000047986704 840001446 /nfs/dbraw/zinc/00/14/46/840001446.db2.gz IECAPJNCWMHUQE-VGOFRKELSA-N 1 0 392.503 3.764 20 30 GHEDRO COc1cccc([C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N(C)C)c1 ZINC000160607089 840035864 /nfs/dbraw/zinc/03/58/64/840035864.db2.gz AYZZYFFPHDMHKV-MRXNPFEDSA-N 1 0 396.413 3.623 20 30 GHEDRO Cc1csc([C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000175847563 840134415 /nfs/dbraw/zinc/13/44/15/840134415.db2.gz HBTVQEBIXNOGOZ-IBGZPJMESA-N 1 0 397.548 3.548 20 30 GHEDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000177823269 840291411 /nfs/dbraw/zinc/29/14/11/840291411.db2.gz UGIWFBXYEWSGOH-AVRDEDQJSA-N 1 0 380.561 3.687 20 30 GHEDRO O=C1CN([C@@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)c2ccccc2N1 ZINC000759905847 840425329 /nfs/dbraw/zinc/42/53/29/840425329.db2.gz HHBSSKRGMRLKFO-GOSISDBHSA-N 1 0 399.416 3.590 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000418548942 840452022 /nfs/dbraw/zinc/45/20/22/840452022.db2.gz LRSBWMQOQMFPHA-OAQYLSRUSA-N 1 0 380.467 3.551 20 30 GHEDRO CC(C)(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccc(F)cc1 ZINC000432011971 840529395 /nfs/dbraw/zinc/52/93/95/840529395.db2.gz KEODNXNHWDGPDT-UHFFFAOYSA-N 1 0 396.466 3.765 20 30 GHEDRO COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417371321 840786933 /nfs/dbraw/zinc/78/69/33/840786933.db2.gz ULJDQFYMCLNYIK-GOTSBHOMSA-N 1 0 387.487 3.957 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000511806979 840825527 /nfs/dbraw/zinc/82/55/27/840825527.db2.gz KYUVRJPGOSHVQR-LJQANCHMSA-N 1 0 383.442 3.867 20 30 GHEDRO C=CCn1c(-c2ncccn2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000417460610 840883103 /nfs/dbraw/zinc/88/31/03/840883103.db2.gz QYFFBKSGYABUHT-UHFFFAOYSA-N 1 0 397.571 3.506 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000027072577 841228583 /nfs/dbraw/zinc/22/85/83/841228583.db2.gz ROTSLCDTIAWRMG-QGZVFWFLSA-O 1 0 395.504 3.736 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000581396739 841241698 /nfs/dbraw/zinc/24/16/98/841241698.db2.gz RMCYFKJBQDTARE-UHFFFAOYSA-N 1 0 399.443 3.892 20 30 GHEDRO CCc1cc(N2CCC([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)CC2)ncn1 ZINC000584498807 841248432 /nfs/dbraw/zinc/24/84/32/841248432.db2.gz GECHDCAFIFDFMI-UHFFFAOYSA-N 1 0 389.425 3.688 20 30 GHEDRO Cc1cnc([C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000175893887 841334954 /nfs/dbraw/zinc/33/49/54/841334954.db2.gz YUVWMIHJOPENQR-IBGZPJMESA-N 1 0 397.548 3.548 20 30 GHEDRO C[NH2+]CCC1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000417983808 841357108 /nfs/dbraw/zinc/35/71/08/841357108.db2.gz LRLGAKKJPUNTCU-UHFFFAOYSA-N 1 0 376.504 3.756 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1 ZINC000728782469 841359133 /nfs/dbraw/zinc/35/91/33/841359133.db2.gz QHCGTDZPMUBUFX-UHFFFAOYSA-N 1 0 390.512 3.808 20 30 GHEDRO O=C(Nc1cccc2cc(Br)cnc21)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329246798 861198254 /nfs/dbraw/zinc/19/82/54/861198254.db2.gz RIZULPMLWUVLGH-GDBMZVCRSA-N 1 0 389.297 3.950 20 30 GHEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599430196 861203523 /nfs/dbraw/zinc/20/35/23/861203523.db2.gz PBAPUPKBBRXNET-FYYLOGMGSA-N 1 0 394.515 3.640 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NCCC2CC[NH2+]CC2)n(-c2ccc(C#N)cc2)n1 ZINC000593760707 861207439 /nfs/dbraw/zinc/20/74/39/861207439.db2.gz KGWHODNBNJHFHX-UHFFFAOYSA-N 1 0 394.523 3.553 20 30 GHEDRO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599453473 861207827 /nfs/dbraw/zinc/20/78/27/861207827.db2.gz RQKZNLRTKLJENP-CRAIPNDOSA-N 1 0 392.927 3.729 20 30 GHEDRO C[C@@](Cc1ccccc1)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000599438708 861207960 /nfs/dbraw/zinc/20/79/60/861207960.db2.gz ZLATZCZOVQQBCR-GOTSBHOMSA-N 1 0 378.516 3.805 20 30 GHEDRO COc1ccc([C@H](CNC(=O)/C=C\c2ccccc2C#N)[NH+]2CCCC2)cc1 ZINC000255310048 841508739 /nfs/dbraw/zinc/50/87/39/841508739.db2.gz XANQXMLRPZNFDL-JQCPSUHGSA-N 1 0 375.472 3.533 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418135650 841547394 /nfs/dbraw/zinc/54/73/94/841547394.db2.gz BFWLTGSHEFTKLW-LBPRGKRZSA-N 1 0 377.510 3.542 20 30 GHEDRO C=CC[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000661277203 841593515 /nfs/dbraw/zinc/59/35/15/841593515.db2.gz STUGEPLGHSMAIA-IBGZPJMESA-N 1 0 398.551 3.607 20 30 GHEDRO O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662808357 841675938 /nfs/dbraw/zinc/67/59/38/841675938.db2.gz JURZXVAPCSCIJB-OAHLLOKOSA-N 1 0 398.322 3.534 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329277045 861233435 /nfs/dbraw/zinc/23/34/35/861233435.db2.gz CFPZSAPKRJODIX-FNAHDJPLSA-N 1 0 385.552 3.581 20 30 GHEDRO CO[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000123618018 841802079 /nfs/dbraw/zinc/80/20/79/841802079.db2.gz YHBVIQSNPDRKPU-GOSISDBHSA-N 1 0 375.856 3.616 20 30 GHEDRO Cc1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000157836213 841832570 /nfs/dbraw/zinc/83/25/70/841832570.db2.gz DGCGSFIURGILJV-UYAOXDASSA-N 1 0 397.544 3.540 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000157832903 841834416 /nfs/dbraw/zinc/83/44/16/841834416.db2.gz WFHQXIKUAGHGTI-PBHICJAKSA-N 1 0 390.434 3.640 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc(N(C)C)cc1 ZINC000123719240 841840807 /nfs/dbraw/zinc/84/08/07/841840807.db2.gz JQMAKSCMBWSVAS-UHFFFAOYSA-O 1 0 376.933 3.632 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C[NH+]1CCCC1 ZINC000603828889 861242800 /nfs/dbraw/zinc/24/28/00/861242800.db2.gz BCFOJOFFQDLHBA-INIZCTEOSA-N 1 0 379.464 3.599 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133718 841850062 /nfs/dbraw/zinc/85/00/62/841850062.db2.gz IHZVCTKVVSHQAA-NFBKMPQASA-N 1 0 377.488 3.987 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2F)n1 ZINC000329280209 861244005 /nfs/dbraw/zinc/24/40/05/861244005.db2.gz KGSUCSWQAOIQRR-SFHVURJKSA-N 1 0 385.487 3.734 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133740 841858612 /nfs/dbraw/zinc/85/86/12/841858612.db2.gz UYMLNOAWYQERBQ-NFBKMPQASA-N 1 0 377.488 3.987 20 30 GHEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000418349531 841871254 /nfs/dbraw/zinc/87/12/54/841871254.db2.gz KDMOHFOGRXZIKB-JOCHJYFZSA-N 1 0 394.519 3.540 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001125524211 841877343 /nfs/dbraw/zinc/87/73/43/841877343.db2.gz VNQNBLTZHKHZIC-NRFANRHFSA-N 1 0 382.439 3.897 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000610522841 841925975 /nfs/dbraw/zinc/92/59/75/841925975.db2.gz BCCMYVARAHQGKG-NQIIRXRSSA-N 1 0 386.499 3.805 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643723353 842014258 /nfs/dbraw/zinc/01/42/58/842014258.db2.gz JDTCUCCESNGXAD-RTBURBONSA-N 1 0 383.565 3.743 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000048158748 842097235 /nfs/dbraw/zinc/09/72/35/842097235.db2.gz PLFDHUQFYMLMAS-UHFFFAOYSA-N 1 0 389.421 3.618 20 30 GHEDRO CC(C)(C(=O)NCC1CC[NH+](C2CC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000329310624 861275885 /nfs/dbraw/zinc/27/58/85/861275885.db2.gz FWIXRZREOUPBOL-UHFFFAOYSA-N 1 0 398.956 3.723 20 30 GHEDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000661784542 842168688 /nfs/dbraw/zinc/16/86/88/842168688.db2.gz QHWWCMVTFKVLLZ-IEBWSBKVSA-N 1 0 377.410 3.671 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2)C2(CCOCC2)CC1 ZINC000933514026 842314773 /nfs/dbraw/zinc/31/47/73/842314773.db2.gz ZHJIGPWLRRVEPE-UHFFFAOYSA-N 1 0 385.508 3.550 20 30 GHEDRO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC3(C)CC[NH+](C)CC3)c12 ZINC000329336917 861299220 /nfs/dbraw/zinc/29/92/20/861299220.db2.gz MFEKUCHLBBTVPC-UHFFFAOYSA-N 1 0 391.519 3.980 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)COc1cc(C)ccc1Cl ZINC000512151878 842655851 /nfs/dbraw/zinc/65/58/51/842655851.db2.gz IIIURNDYHULRNF-INIZCTEOSA-N 1 0 379.884 3.552 20 30 GHEDRO CCCN1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000471814458 842667278 /nfs/dbraw/zinc/66/72/78/842667278.db2.gz DDSNANVVOJFPIW-UHFFFAOYSA-N 1 0 377.488 3.582 20 30 GHEDRO O=C(Nc1cccc2c1OCCC2=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000329369738 861338150 /nfs/dbraw/zinc/33/81/50/861338150.db2.gz IKIHYDMSOAJRNY-KRWDZBQOSA-N 1 0 385.508 3.785 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107600690 842727654 /nfs/dbraw/zinc/72/76/54/842727654.db2.gz RMQUTTRYAVOEEV-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C=C[C@H](CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000650538554 842833509 /nfs/dbraw/zinc/83/35/09/842833509.db2.gz MWAWGMOEMXRRGK-NHTMILBNSA-N 1 0 390.527 3.848 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430740434 842913092 /nfs/dbraw/zinc/91/30/92/842913092.db2.gz BUNXOCMPKUGVAO-GFCCVEGCSA-N 1 0 377.510 3.542 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cc2)C1 ZINC000120343121 842949504 /nfs/dbraw/zinc/94/95/04/842949504.db2.gz UQOKCCOSKXBPNI-HNNXBMFYSA-N 1 0 383.442 3.998 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCc1nccs1 ZINC000159169379 842952403 /nfs/dbraw/zinc/95/24/03/842952403.db2.gz GYHWYRPPPUEEAI-UHFFFAOYSA-N 1 0 388.562 3.848 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000163049654 842953728 /nfs/dbraw/zinc/95/37/28/842953728.db2.gz PABODYCQNODVKE-TWOQFEAHSA-N 1 0 381.451 3.615 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279358118 843019876 /nfs/dbraw/zinc/01/98/76/843019876.db2.gz HCMASSSPZYFZRD-SFHVURJKSA-N 1 0 389.503 3.930 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000549657560 843038881 /nfs/dbraw/zinc/03/88/81/843038881.db2.gz DTJVRBHWYAXNBU-UHFFFAOYSA-N 1 0 376.508 3.535 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000279452355 843064994 /nfs/dbraw/zinc/06/49/94/843064994.db2.gz SUUOMSMUFRJCKU-LJQANCHMSA-N 1 0 375.451 3.987 20 30 GHEDRO COc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccc(C)cc2)cn1 ZINC000171063796 861376312 /nfs/dbraw/zinc/37/63/12/861376312.db2.gz MOJPTWSWRHQXID-UHFFFAOYSA-O 1 0 378.477 3.737 20 30 GHEDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000066946546 843076820 /nfs/dbraw/zinc/07/68/20/843076820.db2.gz OOMYZERELWABOL-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO O=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329402951 861377328 /nfs/dbraw/zinc/37/73/28/861377328.db2.gz YOEHPIPJVGPADC-IEBWSBKVSA-N 1 0 397.498 3.763 20 30 GHEDRO CN(C(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)C1(C#N)CCCCC1 ZINC000512209662 843097335 /nfs/dbraw/zinc/09/73/35/843097335.db2.gz AVNSLVRCFLSDRA-KRWDZBQOSA-N 1 0 398.334 3.691 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000512224221 843150456 /nfs/dbraw/zinc/15/04/56/843150456.db2.gz AGCYERGQNCSGBX-LPHOPBHVSA-N 1 0 388.533 3.964 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000603925922 861386582 /nfs/dbraw/zinc/38/65/82/861386582.db2.gz QZTXLVGODJGVLW-ZJSXRUAMSA-N 1 0 388.467 3.686 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000512256865 843245293 /nfs/dbraw/zinc/24/52/93/843245293.db2.gz CIQOUQXZJHXYLR-UHFFFAOYSA-N 1 0 382.479 3.668 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000127377068 843274348 /nfs/dbraw/zinc/27/43/48/843274348.db2.gz OFEYWQDPWQZMAG-UHFFFAOYSA-N 1 0 396.466 3.884 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CCC[NH2+]1 ZINC000662473186 843303304 /nfs/dbraw/zinc/30/33/04/843303304.db2.gz YNYRTOQULLLLST-SBUREZEXSA-N 1 0 377.488 3.814 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C2 ZINC000599606506 861401519 /nfs/dbraw/zinc/40/15/19/861401519.db2.gz CDQWKAMYKOYSRO-UHFFFAOYSA-N 1 0 388.393 3.820 20 30 GHEDRO CCC[C@@H](NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000599629972 861418438 /nfs/dbraw/zinc/41/84/38/861418438.db2.gz CQOOTWRKCRVLNW-JOCHJYFZSA-N 1 0 391.515 3.811 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000329434885 861420006 /nfs/dbraw/zinc/42/00/06/861420006.db2.gz LHYAYHCXVCEVFP-WCHWRFHJSA-N 1 0 396.535 3.578 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610697499 843562322 /nfs/dbraw/zinc/56/23/22/843562322.db2.gz SBONDNVWLNKVDZ-GOSISDBHSA-N 1 0 393.491 3.845 20 30 GHEDRO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000599637867 861431289 /nfs/dbraw/zinc/43/12/89/861431289.db2.gz WJXMCPNSDYSYPO-KRWDZBQOSA-N 1 0 378.314 3.657 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000510820901 843576494 /nfs/dbraw/zinc/57/64/94/843576494.db2.gz LYNDAICAQLPTNF-OAQYLSRUSA-N 1 0 376.504 3.658 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)cc1N(C)C ZINC000568965385 843714853 /nfs/dbraw/zinc/71/48/53/843714853.db2.gz HYISEMYERIRJRB-DLBZAZTESA-N 1 0 383.540 3.707 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000411783120 843889514 /nfs/dbraw/zinc/88/95/14/843889514.db2.gz HPPIOMWNINUZAK-KRWDZBQOSA-N 1 0 391.393 3.619 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000500749013 843943027 /nfs/dbraw/zinc/94/30/27/843943027.db2.gz PVWHCWKGGVAPNY-UHFFFAOYSA-N 1 0 394.397 3.526 20 30 GHEDRO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000433298983 843985973 /nfs/dbraw/zinc/98/59/73/843985973.db2.gz ARNVZXVAFZLPRV-QQMNAOGKSA-N 1 0 387.487 3.902 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000433297631 843994910 /nfs/dbraw/zinc/99/49/10/843994910.db2.gz LZSQOAJDIZLAIV-DHIUTWEWSA-N 1 0 375.516 3.930 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000512579601 844647301 /nfs/dbraw/zinc/64/73/01/844647301.db2.gz WDQYEQOZJLWKCH-UHFFFAOYSA-N 1 0 378.432 3.850 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC[C@H]21 ZINC000610815159 844650204 /nfs/dbraw/zinc/65/02/04/844650204.db2.gz KOCBSZQSAKSUOD-YLJYHZDGSA-N 1 0 391.475 3.694 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1OC ZINC000549924979 844659737 /nfs/dbraw/zinc/65/97/37/844659737.db2.gz WZRTYHYFDSSNHR-FZKQIMNGSA-N 1 0 384.314 3.663 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1cccs1 ZINC000432953876 844737258 /nfs/dbraw/zinc/73/72/58/844737258.db2.gz KIHKTDMQXBPBCC-UHFFFAOYSA-N 1 0 377.897 3.517 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)/C=C/c3ccccc3C#N)CCCCC2)CCO1 ZINC000731171755 861499756 /nfs/dbraw/zinc/49/97/56/861499756.db2.gz KEMNOFWTZWJIAG-ZHACJKMWSA-N 1 0 381.520 3.501 20 30 GHEDRO C=C(C)C[N@@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000181247978 844840595 /nfs/dbraw/zinc/84/05/95/844840595.db2.gz BXHJWUCQXRDXSC-NRFANRHFSA-N 1 0 391.515 3.933 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)NCCCCCCC[NH+]2CCCC2)cc1 ZINC000729340186 844860962 /nfs/dbraw/zinc/86/09/62/844860962.db2.gz DNODTKKCRSDEMD-QFIPXVFZSA-N 1 0 382.552 3.690 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000433010143 844934108 /nfs/dbraw/zinc/93/41/08/844934108.db2.gz JVPNORSVLRTDDQ-GOSISDBHSA-N 1 0 392.528 3.980 20 30 GHEDRO CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CCO1 ZINC000329480284 861514815 /nfs/dbraw/zinc/51/48/15/861514815.db2.gz PFGFCARBYJKSAB-IOMROCGXSA-N 1 0 389.540 3.999 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)cc1 ZINC000731217646 861519321 /nfs/dbraw/zinc/51/93/21/861519321.db2.gz KCEHEXFSZGIERI-LJQANCHMSA-N 1 0 385.552 3.881 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247784843 845056040 /nfs/dbraw/zinc/05/60/40/845056040.db2.gz YEKPWFKDSNQKFW-UYAOXDASSA-N 1 0 381.476 3.848 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[NH+](C3CCCC3)CC2)c1=S ZINC000126163649 845071034 /nfs/dbraw/zinc/07/10/34/845071034.db2.gz XSUZJBVREGXHLD-UHFFFAOYSA-N 1 0 397.592 3.709 20 30 GHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512694100 845073277 /nfs/dbraw/zinc/07/32/77/845073277.db2.gz MPTFDOFXPDNMFB-KRWDZBQOSA-N 1 0 394.425 3.816 20 30 GHEDRO CC(C)(CC#N)CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000458347788 845080641 /nfs/dbraw/zinc/08/06/41/845080641.db2.gz TUDHWIRSQKXLAF-UHFFFAOYSA-N 1 0 376.932 3.791 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000673735206 861535077 /nfs/dbraw/zinc/53/50/77/861535077.db2.gz VAVITGSGIDLYCI-IBGZPJMESA-N 1 0 396.535 3.679 20 30 GHEDRO C[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)C[NH+]1CCCCC1 ZINC000329018529 845359775 /nfs/dbraw/zinc/35/97/75/845359775.db2.gz LAJLMYSPECNWGD-SJORKVTESA-N 1 0 377.554 3.821 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)CC1 ZINC000664016630 845379682 /nfs/dbraw/zinc/37/96/82/845379682.db2.gz QKYVIBANKYYQQA-UHFFFAOYSA-N 1 0 381.520 3.677 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCc2cc(C#N)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000509785951 845417928 /nfs/dbraw/zinc/41/79/28/845417928.db2.gz BOGAKLJSBQIHPX-YLJYHZDGSA-N 1 0 394.494 3.797 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)CC1 ZINC000664019934 845420504 /nfs/dbraw/zinc/42/05/04/845420504.db2.gz OKASRKAOLKMKPC-HNNXBMFYSA-N 1 0 377.916 3.503 20 30 GHEDRO N#Cc1cc(NC2CC[NH+](C3CCCCC3)CC2)ccc1N1CCC(O)CC1 ZINC000182391434 845451680 /nfs/dbraw/zinc/45/16/80/845451680.db2.gz JCLPSMQHIHJOPX-UHFFFAOYSA-N 1 0 382.552 3.728 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4c[nH]c5ncccc45)CC3)C2=O)cc1 ZINC000182876918 845566797 /nfs/dbraw/zinc/56/67/97/845566797.db2.gz RPSJQJZVLZQXJR-JOCHJYFZSA-N 1 0 399.498 3.810 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1F ZINC000419268652 845606490 /nfs/dbraw/zinc/60/64/90/845606490.db2.gz AJWVPCCOWHMTLZ-GOSISDBHSA-N 1 0 389.377 3.584 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1)CC1CC1 ZINC000538916126 845708097 /nfs/dbraw/zinc/70/80/97/845708097.db2.gz IQKUYUYLRUIKSC-UHFFFAOYSA-N 1 0 379.548 3.950 20 30 GHEDRO N#CC1(NC(=O)c2nccc3ccsc32)CCN(Cc2ccccc2)CC1 ZINC000599749033 861602663 /nfs/dbraw/zinc/60/26/63/861602663.db2.gz FKWGTHZXBUNMBR-UHFFFAOYSA-N 1 0 376.485 3.584 20 30 GHEDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)c1cccc(C#N)c1 ZINC001167511893 845935875 /nfs/dbraw/zinc/93/58/75/845935875.db2.gz CQDOOXONUJTCFA-GOSISDBHSA-N 1 0 375.266 3.582 20 30 GHEDRO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000329541424 861625065 /nfs/dbraw/zinc/62/50/65/861625065.db2.gz DKQCAPSUZWZZFG-UHFFFAOYSA-N 1 0 386.536 3.584 20 30 GHEDRO C[C@H](Cc1cccnc1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000934236685 846047515 /nfs/dbraw/zinc/04/75/15/846047515.db2.gz OFWKZHIIISPZRS-HUUCEWRRSA-N 1 0 382.533 3.689 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000539268137 846054360 /nfs/dbraw/zinc/05/43/60/846054360.db2.gz PJOPAGJIIVXNPK-KGLIPLIRSA-N 1 0 385.464 3.853 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1F ZINC000421363162 846176199 /nfs/dbraw/zinc/17/61/99/846176199.db2.gz KSJQKWXMEDAIPM-OAHLLOKOSA-N 1 0 382.357 3.537 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000604033598 861649828 /nfs/dbraw/zinc/64/98/28/861649828.db2.gz DQDXKJOKTPGTCA-GOSISDBHSA-N 1 0 397.544 3.552 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCNc2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@H](C)O1 ZINC000072018799 846236974 /nfs/dbraw/zinc/23/69/74/846236974.db2.gz SDCHEFZBHGXPJT-OKILXGFUSA-N 1 0 390.434 3.619 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1 ZINC000513690923 846333255 /nfs/dbraw/zinc/33/32/55/846333255.db2.gz OEQPWEMUWBTSBG-HXUWFJFHSA-N 1 0 388.533 3.977 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(CCC)cc1)[n+]1cccc(CO)c1 ZINC000280493143 846423461 /nfs/dbraw/zinc/42/34/61/846423461.db2.gz BTFXOLZPNNCPLD-UHFFFAOYSA-O 1 0 383.537 3.523 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc2c(c1)OCO2 ZINC000119879486 846438262 /nfs/dbraw/zinc/43/82/62/846438262.db2.gz KGGBOYAMCLNYFI-ZDUSSCGKSA-N 1 0 397.500 3.907 20 30 GHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000280549105 846440967 /nfs/dbraw/zinc/44/09/67/846440967.db2.gz ALZKAONLJQWYJI-HSZRJFAPSA-N 1 0 386.499 3.543 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000280732390 846514425 /nfs/dbraw/zinc/51/44/25/846514425.db2.gz RDELJGDGXJKSLN-IIBYNOLFSA-N 1 0 378.476 3.705 20 30 GHEDRO Cc1noc([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)n1 ZINC000329041103 846530253 /nfs/dbraw/zinc/53/02/53/846530253.db2.gz OJNATUZPFQSXGH-TZMCWYRMSA-N 1 0 399.520 3.904 20 30 GHEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000375674963 846540171 /nfs/dbraw/zinc/54/01/71/846540171.db2.gz CIXOWSUEULKNGM-IRXDYDNUSA-N 1 0 394.519 3.721 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419437837 846551729 /nfs/dbraw/zinc/55/17/29/846551729.db2.gz FTWZDOVTOSUQKI-PMACEKPBSA-N 1 0 380.492 3.911 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502953446 846651075 /nfs/dbraw/zinc/65/10/75/846651075.db2.gz QKTVLNABYQPHOE-KRWDZBQOSA-N 1 0 378.476 3.626 20 30 GHEDRO COc1cc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c(F)cc1C#N ZINC000599818289 861721287 /nfs/dbraw/zinc/72/12/87/861721287.db2.gz WAVUCFWMLKLYOI-CQSZACIVSA-N 1 0 384.455 3.957 20 30 GHEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051582071 846814443 /nfs/dbraw/zinc/81/44/43/846814443.db2.gz NMWXZLYQKDFXQR-WPFOTENUSA-N 1 0 394.515 3.592 20 30 GHEDRO C#CCOc1ccc(COC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC001268853619 846850663 /nfs/dbraw/zinc/85/06/63/846850663.db2.gz CEFMCXOWZCSTAB-UHFFFAOYSA-N 1 0 392.499 3.586 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000501388404 846883100 /nfs/dbraw/zinc/88/31/00/846883100.db2.gz PHQLKUABNJMHOI-OAHLLOKOSA-N 1 0 383.330 3.573 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)C(C)C)CC1 ZINC000555751067 861736273 /nfs/dbraw/zinc/73/62/73/861736273.db2.gz QNXDBXLKTICSRT-XMSQKQJNSA-N 1 0 399.579 3.780 20 30 GHEDRO C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272237655 847025926 /nfs/dbraw/zinc/02/59/26/847025926.db2.gz FYTBZYPZHWVUJP-MJGOQNOKSA-N 1 0 378.476 3.621 20 30 GHEDRO C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(OCC#N)cc1 ZINC000272272786 847033955 /nfs/dbraw/zinc/03/39/55/847033955.db2.gz NRUVGRIPFZDUTJ-KRWDZBQOSA-N 1 0 379.508 3.687 20 30 GHEDRO COc1ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000272683708 847145024 /nfs/dbraw/zinc/14/50/24/847145024.db2.gz NVARLWOWUGKZAW-UHFFFAOYSA-N 1 0 391.512 3.772 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1OC ZINC000628351906 847166524 /nfs/dbraw/zinc/16/65/24/847166524.db2.gz RQZJGHMKWMVNQM-INIZCTEOSA-N 1 0 380.916 3.650 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187761668 847291828 /nfs/dbraw/zinc/29/18/28/847291828.db2.gz DVZGCSOSSRSBGK-HNAYVOBHSA-N 1 0 378.375 3.520 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000501935973 847345381 /nfs/dbraw/zinc/34/53/81/847345381.db2.gz CQWQNTCGZDLZET-LJQANCHMSA-N 1 0 375.561 3.816 20 30 GHEDRO CCN(C(=O)COc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501955150 847359754 /nfs/dbraw/zinc/35/97/54/847359754.db2.gz KJASLRNYGJXGSX-NQIIRXRSSA-N 1 0 377.488 3.621 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(C#N)s2)c2cccs2)CC1 ZINC000420775009 847421963 /nfs/dbraw/zinc/42/19/63/847421963.db2.gz SZMIAVJCLUQXJF-KRWDZBQOSA-N 1 0 388.562 3.954 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000179805836 861790648 /nfs/dbraw/zinc/79/06/48/861790648.db2.gz SZPZAWQVKIVMSB-UHFFFAOYSA-N 1 0 397.544 3.540 20 30 GHEDRO C=C(C)[C@@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481581780 861791132 /nfs/dbraw/zinc/79/11/32/861791132.db2.gz XYKRWKQIMNXBDV-HXUWFJFHSA-N 1 0 387.430 3.588 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)s1 ZINC000420889270 847509286 /nfs/dbraw/zinc/50/92/86/847509286.db2.gz ONOGDNLLOREXSV-SFHVURJKSA-N 1 0 382.533 3.673 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502164534 847544433 /nfs/dbraw/zinc/54/44/33/847544433.db2.gz QGEBWLVLDYJPIH-GUDVDZBRSA-N 1 0 380.536 3.723 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000421064320 847678644 /nfs/dbraw/zinc/67/86/44/847678644.db2.gz LUUWQVKVQMWLLJ-UHFFFAOYSA-N 1 0 383.521 3.600 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000502282734 847690844 /nfs/dbraw/zinc/69/08/44/847690844.db2.gz RRIZLNKHENOGEA-JOCHJYFZSA-N 1 0 380.536 3.867 20 30 GHEDRO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329628895 861819791 /nfs/dbraw/zinc/81/97/91/861819791.db2.gz VYABQWCWJGCKJE-NXIXHYNASA-N 1 0 377.573 3.569 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000664324240 847762903 /nfs/dbraw/zinc/76/29/03/847762903.db2.gz WUZOZYRGQHMLEC-PGRDOPGGSA-N 1 0 385.552 3.577 20 30 GHEDRO C[N@H+](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CCCCC1 ZINC000502375918 847820199 /nfs/dbraw/zinc/82/01/99/847820199.db2.gz MJDSWCNMJQUUKG-UHFFFAOYSA-N 1 0 398.429 3.885 20 30 GHEDRO CC(C)n1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1C1CC[NH2+]CC1 ZINC000582704712 848090872 /nfs/dbraw/zinc/09/08/72/848090872.db2.gz UONKQQAXBMHIBJ-UHFFFAOYSA-N 1 0 396.442 3.763 20 30 GHEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000899811340 861878743 /nfs/dbraw/zinc/87/87/43/861878743.db2.gz VXFGSAPXEPOFTM-GOSISDBHSA-N 1 0 387.487 3.691 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000604145717 861889646 /nfs/dbraw/zinc/88/96/46/861889646.db2.gz JGHOPDNIQQRHDB-WIYYLYMNSA-N 1 0 397.544 3.976 20 30 GHEDRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292214346 848467208 /nfs/dbraw/zinc/46/72/08/848467208.db2.gz ONRJDYLDBYGPFM-HXUWFJFHSA-N 1 0 392.503 3.751 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)[C@H]1C ZINC001167629929 848571650 /nfs/dbraw/zinc/57/16/50/848571650.db2.gz NPKDEVYLBATMEQ-SJORKVTESA-N 1 0 376.504 3.897 20 30 GHEDRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120455763 848572763 /nfs/dbraw/zinc/57/27/63/848572763.db2.gz DRPOUVPYFOVQOY-UHFFFAOYSA-N 1 0 387.528 3.679 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)ccc1C#N ZINC000582897577 848670285 /nfs/dbraw/zinc/67/02/85/848670285.db2.gz SKJHVQBVRHXOIK-MRXNPFEDSA-N 1 0 386.293 3.698 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2ccc(C#C[Si](C)(C)C)cn2)CCC([NH3+])CC1 ZINC001167639171 848708146 /nfs/dbraw/zinc/70/81/46/848708146.db2.gz FPIAYFOMIJDCDZ-UHFFFAOYSA-N 1 0 387.600 3.704 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2cccc(C3(C#N)CCOCC3)c2)CCC([NH3+])CC1 ZINC001167643699 848799733 /nfs/dbraw/zinc/79/97/33/848799733.db2.gz MHNVWESPYFWWRV-UHFFFAOYSA-N 1 0 399.535 3.652 20 30 GHEDRO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1 ZINC000731903500 861950431 /nfs/dbraw/zinc/95/04/31/861950431.db2.gz NLNZWICCVIPAFX-MRXNPFEDSA-N 1 0 386.839 3.902 20 30 GHEDRO CC(C)[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000481652076 861951902 /nfs/dbraw/zinc/95/19/02/861951902.db2.gz CEDKRXKLPUCPGM-NRFANRHFSA-N 1 0 380.467 3.902 20 30 GHEDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481666454 861968114 /nfs/dbraw/zinc/96/81/14/861968114.db2.gz FMDXCYMGGKOOTN-AUSIDOKSSA-N 1 0 389.547 3.521 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000583071911 849017567 /nfs/dbraw/zinc/01/75/67/849017567.db2.gz CVWYTNDYGDWHKQ-NDXORKPFSA-N 1 0 376.460 3.942 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc(CC#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000583127565 849127388 /nfs/dbraw/zinc/12/73/88/849127388.db2.gz MSGGZUAWEHKZHO-YADHBBJMSA-N 1 0 390.487 3.861 20 30 GHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccco1 ZINC000583373509 849740004 /nfs/dbraw/zinc/74/00/04/849740004.db2.gz FZFRFBUITJORKQ-QRWLVFNGSA-N 1 0 391.475 3.505 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccco1 ZINC000583373508 849740150 /nfs/dbraw/zinc/74/01/50/849740150.db2.gz FZFRFBUITJORKQ-MGPUTAFESA-N 1 0 391.475 3.505 20 30 GHEDRO CCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000604273785 862056457 /nfs/dbraw/zinc/05/64/57/862056457.db2.gz JQASZUKXBGJUES-UHFFFAOYSA-N 1 0 375.538 3.718 20 30 GHEDRO N#C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1c(Cl)cccc1Cl ZINC000505541408 849812948 /nfs/dbraw/zinc/81/29/48/849812948.db2.gz XVNFJJNAMZXFSJ-MRXNPFEDSA-N 1 0 396.318 3.709 20 30 GHEDRO COCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CC=CCC1 ZINC000434987904 849975079 /nfs/dbraw/zinc/97/50/79/849975079.db2.gz PWPLDQMJWPTKDS-LJQANCHMSA-N 1 0 379.508 3.663 20 30 GHEDRO CCC[NH+]1CCN(c2ccccc2CN(C)Cc2cc(C#N)ccc2F)CC1 ZINC000434989710 849977867 /nfs/dbraw/zinc/97/78/67/849977867.db2.gz CBSNFNIYNBIQGW-UHFFFAOYSA-N 1 0 380.511 3.861 20 30 GHEDRO CC(C)c1ccccc1OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000514575700 850037417 /nfs/dbraw/zinc/03/74/17/850037417.db2.gz JKFHRTDATNDKQA-UHFFFAOYSA-N 1 0 379.504 3.651 20 30 GHEDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435136153 850120105 /nfs/dbraw/zinc/12/01/05/850120105.db2.gz YXXLKCKNNGHALG-PMACEKPBSA-N 1 0 381.524 3.884 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000486894507 850209638 /nfs/dbraw/zinc/20/96/38/850209638.db2.gz AAOWNHLRMQTWBR-VGSWGCGISA-N 1 0 377.488 3.624 20 30 GHEDRO C=CCNC(=O)[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCCCC1 ZINC000439660881 850217645 /nfs/dbraw/zinc/21/76/45/850217645.db2.gz KZFSNZDYFRPKLS-HNNXBMFYSA-N 1 0 379.342 3.931 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC000424128568 850241306 /nfs/dbraw/zinc/24/13/06/850241306.db2.gz ROCHHBQPMIZYKM-INIZCTEOSA-N 1 0 378.314 3.746 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000424146761 850249445 /nfs/dbraw/zinc/24/94/45/850249445.db2.gz XFKXNAVRSXYTRR-VCOUNFBDSA-N 1 0 380.488 3.864 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000514759900 850257324 /nfs/dbraw/zinc/25/73/24/850257324.db2.gz SBIOTWGAOSUONG-RBBKRZOGSA-N 1 0 394.515 3.506 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000424254386 850314863 /nfs/dbraw/zinc/31/48/63/850314863.db2.gz SWVHRNOXEZBMRS-SFHVURJKSA-N 1 0 375.586 3.735 20 30 GHEDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000439771933 850397087 /nfs/dbraw/zinc/39/70/87/850397087.db2.gz FAQJQDXOINADBB-UHFFFAOYSA-N 1 0 380.488 3.987 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487064778 850400994 /nfs/dbraw/zinc/40/09/94/850400994.db2.gz JPWNKTNXAJVAKR-SIKLNZKXSA-N 1 0 393.531 3.961 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000487093966 850446754 /nfs/dbraw/zinc/44/67/54/850446754.db2.gz ONMILFRRGVWBIG-HXUWFJFHSA-N 1 0 394.515 3.554 20 30 GHEDRO C#CCCCc1nnc(N2CCC(C)([NH+]3CCCC3)CC2)n1Cc1ccccc1 ZINC000908984109 850519315 /nfs/dbraw/zinc/51/93/15/850519315.db2.gz ZAPQFDGGCXRSKE-UHFFFAOYSA-N 1 0 391.563 3.737 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000909255312 850663220 /nfs/dbraw/zinc/66/32/20/850663220.db2.gz IBVGVGVIWVWZGP-LJQANCHMSA-N 1 0 387.572 3.593 20 30 GHEDRO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424751984 850663561 /nfs/dbraw/zinc/66/35/61/850663561.db2.gz WJRLODPLDPVJQP-QFBILLFUSA-N 1 0 394.918 3.961 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000909294800 850677083 /nfs/dbraw/zinc/67/70/83/850677083.db2.gz XIJLJQWHGPANJJ-SJLPKXTDSA-N 1 0 384.553 3.532 20 30 GHEDRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000174675519 850680022 /nfs/dbraw/zinc/68/00/22/850680022.db2.gz PAXNSQXMDQWAKA-QHCPKHFHSA-N 1 0 387.483 3.704 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC000329706740 862162575 /nfs/dbraw/zinc/16/25/75/862162575.db2.gz KDBKNSWDSGILLF-IAGOWNOFSA-N 1 0 388.487 3.933 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000435680301 850745898 /nfs/dbraw/zinc/74/58/98/850745898.db2.gz CQDLOSSJWUPXET-UHFFFAOYSA-N 1 0 379.504 3.924 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)s1 ZINC000487704947 850849271 /nfs/dbraw/zinc/84/92/71/850849271.db2.gz LIDFKLSRNQOUKK-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@@H+]1C ZINC000437995027 850886632 /nfs/dbraw/zinc/88/66/32/850886632.db2.gz ISHFPHABAILUGI-DNVCBOLYSA-N 1 0 396.466 3.881 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508795045 850966537 /nfs/dbraw/zinc/96/65/37/850966537.db2.gz RPOOJCYBGJFNML-UHFFFAOYSA-N 1 0 395.551 3.664 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000604416356 862191285 /nfs/dbraw/zinc/19/12/85/862191285.db2.gz XXWABYITTCPXRO-UXHICEINSA-N 1 0 384.907 3.853 20 30 GHEDRO CCC1(CNC(=O)CNc2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514056089 851179365 /nfs/dbraw/zinc/17/93/65/851179365.db2.gz WKYMEHVXLWJTGQ-UHFFFAOYSA-N 1 0 390.531 3.779 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2C)CC1 ZINC000187504767 851185311 /nfs/dbraw/zinc/18/53/11/851185311.db2.gz CBILJLYJLKWSAR-UHFFFAOYSA-N 1 0 380.330 3.597 20 30 GHEDRO C=CCn1c(SCCC[NH+]2CCCC2)nnc1[C@H]1COc2ccccc2O1 ZINC000436135824 851248300 /nfs/dbraw/zinc/24/83/00/851248300.db2.gz VNRZASXLYGBVFV-GOSISDBHSA-N 1 0 386.521 3.555 20 30 GHEDRO CC[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000514096174 851259673 /nfs/dbraw/zinc/25/96/73/851259673.db2.gz URUWXUABVPQCRZ-DEOSSOPVSA-N 1 0 388.559 3.954 20 30 GHEDRO Cc1c2cccc(F)c2oc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000604482490 862225441 /nfs/dbraw/zinc/22/54/41/862225441.db2.gz OLJTZFUKZMTFFB-UHFFFAOYSA-N 1 0 379.435 3.956 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000425478480 851287151 /nfs/dbraw/zinc/28/71/51/851287151.db2.gz PERTZOCXVRCFIY-SFHVURJKSA-N 1 0 385.508 3.863 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1COc2ccccc21 ZINC000162976339 862232663 /nfs/dbraw/zinc/23/26/63/862232663.db2.gz BADLUVKEKMQBOA-IGCXYCKISA-N 1 0 381.501 3.590 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000436347803 851509057 /nfs/dbraw/zinc/50/90/57/851509057.db2.gz YCTNXOZGUSGIAI-FXAWDEMLSA-N 1 0 375.513 3.510 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000436347806 851509239 /nfs/dbraw/zinc/50/92/39/851509239.db2.gz YCTNXOZGUSGIAI-YLJYHZDGSA-N 1 0 375.513 3.510 20 30 GHEDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488461581 851515381 /nfs/dbraw/zinc/51/53/81/851515381.db2.gz GRNLLFDIGAIVLU-KBXCAEBGSA-N 1 0 387.936 3.985 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3ccccc3n2)c(OC)c1 ZINC000515832006 851539023 /nfs/dbraw/zinc/53/90/23/851539023.db2.gz FYKQBNXISYIPQP-HXUWFJFHSA-N 1 0 378.472 3.501 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000434729617 851549346 /nfs/dbraw/zinc/54/93/46/851549346.db2.gz NINSCJSNWMRJSL-AWEZNQCLSA-N 1 0 398.894 3.722 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000434729620 851549845 /nfs/dbraw/zinc/54/98/45/851549845.db2.gz NINSCJSNWMRJSL-CQSZACIVSA-N 1 0 398.894 3.722 20 30 GHEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604501435 862260742 /nfs/dbraw/zinc/26/07/42/862260742.db2.gz TWJVQISJNLMZAK-AUSIDOKSSA-N 1 0 380.488 3.510 20 30 GHEDRO COc1ccccc1C[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000185879389 862281674 /nfs/dbraw/zinc/28/16/74/862281674.db2.gz MAAYNKZTTOTHFN-KXBFYZLASA-N 1 0 383.492 3.961 20 30 GHEDRO CC(C)[C@@H](NC(=O)CN(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000519566625 851900326 /nfs/dbraw/zinc/90/03/26/851900326.db2.gz XYZYHAXAVAEJNZ-HSZRJFAPSA-N 1 0 379.504 3.520 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1 ZINC000436500445 851976697 /nfs/dbraw/zinc/97/66/97/851976697.db2.gz VZSCWHXRKVXKOQ-UHFFFAOYSA-N 1 0 385.556 3.909 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC000438201707 852112667 /nfs/dbraw/zinc/11/26/67/852112667.db2.gz MLYMHKCWAWXUTF-UHFFFAOYSA-N 1 0 394.515 3.792 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000516237834 852310402 /nfs/dbraw/zinc/31/04/02/852310402.db2.gz NTXRKLPUXFICPT-JBCDFXQESA-N 1 0 389.927 3.802 20 30 GHEDRO COc1cc(CNC(NCCc2cccs2)=[NH+]C(C)(C)C)cc(OC)c1O ZINC000912506508 852312346 /nfs/dbraw/zinc/31/23/46/852312346.db2.gz PQHOBALVQRQBNL-UHFFFAOYSA-N 1 0 391.537 3.547 20 30 GHEDRO COc1ccc(CCNC(NCc2ccc(OC(C)C)nc2)=[NH+]C(C)(C)C)cc1 ZINC000912509750 852314142 /nfs/dbraw/zinc/31/41/42/852314142.db2.gz PGDXNVNMKXTIFG-UHFFFAOYSA-N 1 0 398.551 3.954 20 30 GHEDRO CN(CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000426729444 852323287 /nfs/dbraw/zinc/32/32/87/852323287.db2.gz CWLKIJPVTGFWBR-UHFFFAOYSA-N 1 0 376.932 3.737 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000329826119 862350300 /nfs/dbraw/zinc/35/03/00/862350300.db2.gz REQBRXRDULOJPO-UHFFFAOYSA-N 1 0 393.535 3.992 20 30 GHEDRO COc1cc2c(cc1NC(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)NC(=O)CC2 ZINC000329835101 862358994 /nfs/dbraw/zinc/35/89/94/862358994.db2.gz LXOQBGCWBQGPGD-BEFAXECRSA-N 1 0 398.507 3.724 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000329838496 862361886 /nfs/dbraw/zinc/36/18/86/862361886.db2.gz VSHINTUUZZURQM-GVVDHYSOSA-N 1 0 386.536 3.598 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)nc1 ZINC000570525354 852494861 /nfs/dbraw/zinc/49/48/61/852494861.db2.gz LYFRHEXDONVWMU-BJKOFHAPSA-N 1 0 386.474 3.850 20 30 GHEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccccc1 ZINC000507089020 852552798 /nfs/dbraw/zinc/55/27/98/852552798.db2.gz UAVGAEMBUCBYBT-LJQANCHMSA-N 1 0 382.414 3.845 20 30 GHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccccc1 ZINC000507089015 852552826 /nfs/dbraw/zinc/55/28/26/852552826.db2.gz UAVGAEMBUCBYBT-IBGZPJMESA-N 1 0 382.414 3.845 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(OC(F)F)c1 ZINC000490002646 852698885 /nfs/dbraw/zinc/69/88/85/852698885.db2.gz YBOCBRBXIBJLCQ-INIZCTEOSA-N 1 0 383.402 3.582 20 30 GHEDRO C=CCC[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccccc1 ZINC000427114785 852730513 /nfs/dbraw/zinc/73/05/13/852730513.db2.gz ORKHOIMLZRCOAC-XPNTWCBSSA-N 1 0 383.580 3.753 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490079285 852753077 /nfs/dbraw/zinc/75/30/77/852753077.db2.gz KBTUXXZVYVGLDE-SFHVURJKSA-N 1 0 392.503 3.935 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1Br ZINC000516593323 852775161 /nfs/dbraw/zinc/77/51/61/852775161.db2.gz VUJHWPMDBACILT-UHFFFAOYSA-N 1 0 391.313 3.803 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C/C(C)=C/c1ccccc1 ZINC000669034088 852777599 /nfs/dbraw/zinc/77/75/99/852777599.db2.gz HXPAAOYBKFUNET-OXUVQOAGSA-N 1 0 393.535 3.540 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1ccccc1C ZINC000669033277 852788603 /nfs/dbraw/zinc/78/86/03/852788603.db2.gz KXFQBCUDDKGCCS-NRSPTQNISA-N 1 0 393.535 3.650 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)NC1CCC2(CCCCC2)CC1 ZINC000329888318 862399065 /nfs/dbraw/zinc/39/90/65/862399065.db2.gz YSXCXPGMSQENOE-UXHICEINSA-N 1 0 377.573 3.761 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)COc1ccc(O)cc1)c1ccccc1O2 ZINC000329889021 862400583 /nfs/dbraw/zinc/40/05/83/862400583.db2.gz ZPXINLJBQRVRIT-IBGZPJMESA-N 1 0 382.460 3.716 20 30 GHEDRO C=CCn1c(-c2sccc2C)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427239794 852885407 /nfs/dbraw/zinc/88/54/07/852885407.db2.gz TZKXFCLNBGKPSX-UHFFFAOYSA-N 1 0 379.533 3.823 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2ccccc2)N2CCOCC2)c(O)c1 ZINC000912962129 852921893 /nfs/dbraw/zinc/92/18/93/852921893.db2.gz LNRVDEGDDCPYNX-QYJRXKHCSA-N 1 0 381.520 3.731 20 30 GHEDRO N#CCSc1ccccc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732661281 862410098 /nfs/dbraw/zinc/41/00/98/862410098.db2.gz VLUVVCOXPIQPTN-UHFFFAOYSA-N 1 0 389.590 3.784 20 30 GHEDRO C[C@]1(CNC(=O)CSc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000490513429 853063477 /nfs/dbraw/zinc/06/34/77/853063477.db2.gz KRCASWSYXJCVEE-JOCHJYFZSA-N 1 0 379.529 3.821 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)cc1OCC ZINC000507601212 853092861 /nfs/dbraw/zinc/09/28/61/853092861.db2.gz LFHYPJSHZKSAIM-UHFFFAOYSA-N 1 0 396.535 3.857 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)c(F)c1 ZINC000507621791 853098054 /nfs/dbraw/zinc/09/80/54/853098054.db2.gz CSDCLXUPGLDROP-UGSOOPFHSA-N 1 0 379.414 3.761 20 30 GHEDRO COc1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc2c1OCO2 ZINC000111408889 853146558 /nfs/dbraw/zinc/14/65/58/853146558.db2.gz LPUHYDNOFXJRPY-UHFFFAOYSA-N 1 0 380.444 3.775 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)ccc1OC ZINC000518285167 853162784 /nfs/dbraw/zinc/16/27/84/853162784.db2.gz KWTMENXCHHEZTB-UHFFFAOYSA-N 1 0 376.541 3.629 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000507698711 853191524 /nfs/dbraw/zinc/19/15/24/853191524.db2.gz GTOVUXOEKUKHJK-UHFFFAOYSA-N 1 0 396.922 3.544 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(F)cc1OCC#N ZINC000151270019 853239648 /nfs/dbraw/zinc/23/96/48/853239648.db2.gz YSQMDKDJBICIIF-UHFFFAOYSA-N 1 0 384.455 3.760 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)CC[N@@H+]1C ZINC000329946729 862446978 /nfs/dbraw/zinc/44/69/78/862446978.db2.gz JSYWDKCJSWFZRU-BJZITVGISA-N 1 0 385.487 3.749 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000518404036 853305924 /nfs/dbraw/zinc/30/59/24/853305924.db2.gz OUSMVMAOFWKPME-UHFFFAOYSA-N 1 0 383.540 3.520 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C)([NH+](C)C)CC2)cc1C ZINC000913399029 853314556 /nfs/dbraw/zinc/31/45/56/853314556.db2.gz SWMKSYKCQZLSEW-UHFFFAOYSA-N 1 0 393.535 3.637 20 30 GHEDRO N#Cc1ccc(CN2CCC(CC[NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000517061960 853316455 /nfs/dbraw/zinc/31/64/55/853316455.db2.gz IBCHZIZLPFSRIS-UHFFFAOYSA-N 1 0 381.442 3.511 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000151366568 853349814 /nfs/dbraw/zinc/34/98/14/853349814.db2.gz VWCMNBPKJOSNHM-KRWDZBQOSA-N 1 0 399.922 3.773 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)c1C#N ZINC000491175884 853470092 /nfs/dbraw/zinc/47/00/92/853470092.db2.gz XWHNXRBZMFTAND-LJQANCHMSA-N 1 0 394.494 3.834 20 30 GHEDRO Cn1cc(C[N@H+](C)CCCOc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000491170012 853478655 /nfs/dbraw/zinc/47/86/55/853478655.db2.gz ZJKXJUMHXUYNKZ-UHFFFAOYSA-N 1 0 378.451 3.999 20 30 GHEDRO CC(=O)c1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017517671 853481414 /nfs/dbraw/zinc/48/14/14/853481414.db2.gz DZIDZYDCXJKWMF-UHFFFAOYSA-N 1 0 392.528 3.666 20 30 GHEDRO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000586775185 853516818 /nfs/dbraw/zinc/51/68/18/853516818.db2.gz ITFZLJWNJNIDEN-LADGPHEKSA-N 1 0 378.516 3.936 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000586789121 853548858 /nfs/dbraw/zinc/54/88/58/853548858.db2.gz ZQAHHQYDIYQJMT-LVOPCWDJSA-N 1 0 377.488 3.826 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@@H+](CCc2ccccc2F)C2CCCC2)c1 ZINC000519904624 853612336 /nfs/dbraw/zinc/61/23/36/853612336.db2.gz UUCUILDUEHNKPH-UHFFFAOYSA-N 1 0 379.479 3.801 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)Nc1ccccc1C#N)[n+]1ccccc1 ZINC000055013872 853629283 /nfs/dbraw/zinc/62/92/83/853629283.db2.gz UUTLCOGUYBLKAS-UHFFFAOYSA-O 1 0 388.472 3.905 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(NC(C)=O)cc2)C(=S)NC(C)(C)C)cc1 ZINC000055014217 853630223 /nfs/dbraw/zinc/63/02/23/853630223.db2.gz BTHWBGGYUTYYAA-UHFFFAOYSA-O 1 0 398.552 3.822 20 30 GHEDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nc(C3CC3)no2)c1 ZINC000329994525 862490054 /nfs/dbraw/zinc/49/00/54/862490054.db2.gz ZHLPYMAHEDHTHH-MSOLQXFVSA-N 1 0 381.480 3.684 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000156389008 853726190 /nfs/dbraw/zinc/72/61/90/853726190.db2.gz HWJZEDUVNZAKLN-UHFFFAOYSA-N 1 0 379.460 3.534 20 30 GHEDRO C=CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000520136721 853887731 /nfs/dbraw/zinc/88/77/31/853887731.db2.gz RMXRDDLDZKDXMC-UHFFFAOYSA-N 1 0 393.443 3.659 20 30 GHEDRO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811177 862511920 /nfs/dbraw/zinc/51/19/20/862511920.db2.gz OECKZQFLDMPXAZ-IBGZPJMESA-N 1 0 387.405 3.820 20 30 GHEDRO COCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000520183717 853931558 /nfs/dbraw/zinc/93/15/58/853931558.db2.gz LWZGFVMCCYFNTR-KUHUBIRLSA-N 1 0 397.441 3.523 20 30 GHEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481919846 862516656 /nfs/dbraw/zinc/51/66/56/862516656.db2.gz DTGKDNGMNDWNPN-YCRPNKLZSA-N 1 0 383.517 3.585 20 30 GHEDRO C[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000520236319 853981174 /nfs/dbraw/zinc/98/11/74/853981174.db2.gz UBGMOFRDLFPNLR-MRXNPFEDSA-N 1 0 390.487 3.596 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC1 ZINC000520361349 854136393 /nfs/dbraw/zinc/13/63/93/854136393.db2.gz VHOLFBURJBXKOI-UHFFFAOYSA-N 1 0 387.911 3.706 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000571812490 854164922 /nfs/dbraw/zinc/16/49/22/854164922.db2.gz LFLVRIGUDDCJPW-SJORKVTESA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000588204890 854216691 /nfs/dbraw/zinc/21/66/91/854216691.db2.gz HUQIMNBLEVWNEC-CVEARBPZSA-N 1 0 375.538 3.502 20 30 GHEDRO C=CCCC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102330439 854314094 /nfs/dbraw/zinc/31/40/94/854314094.db2.gz SQCCGPZGZGGCFF-UHFFFAOYSA-N 1 0 383.458 3.690 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000330074347 862556044 /nfs/dbraw/zinc/55/60/44/862556044.db2.gz CTVCDKOWODDDKE-FQEVSTJZSA-N 1 0 381.524 3.723 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895024157 854437215 /nfs/dbraw/zinc/43/72/15/854437215.db2.gz FPYCRDRAZBVWIW-MRXNPFEDSA-N 1 0 388.924 3.672 20 30 GHEDRO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cn2)C[C@@H](C)O1 ZINC000330091826 862567469 /nfs/dbraw/zinc/56/74/69/862567469.db2.gz QGJJRMIOEDHPBP-KURKYZTESA-N 1 0 386.540 3.938 20 30 GHEDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000328650358 854490032 /nfs/dbraw/zinc/49/00/32/854490032.db2.gz AYJMYYQHMKGFJC-IBGZPJMESA-N 1 0 375.557 3.638 20 30 GHEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328692871 854511209 /nfs/dbraw/zinc/51/12/09/854511209.db2.gz JHYPVEAWTHVCBC-AOIWGVFYSA-N 1 0 378.476 3.521 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cn4c(n3)CCCC4)CC[N@@H+]2C2CC2)c1 ZINC000328717211 854519747 /nfs/dbraw/zinc/51/97/47/854519747.db2.gz PFEKEDBUCAHHMX-WIYYLYMNSA-N 1 0 380.492 3.511 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000328756936 854530082 /nfs/dbraw/zinc/53/00/82/854530082.db2.gz UOIHTRPMCSVSJO-PMACEKPBSA-N 1 0 385.552 3.892 20 30 GHEDRO C#CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000156956829 854535317 /nfs/dbraw/zinc/53/53/17/854535317.db2.gz MVEUFDQMTJPCSB-UGKGYDQZSA-N 1 0 376.500 3.824 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000328822346 854551162 /nfs/dbraw/zinc/55/11/62/854551162.db2.gz PBWLFMMTABWYEJ-NHCUHLMSSA-N 1 0 385.552 3.545 20 30 GHEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1coc(C2CCOCC2)n1 ZINC000328822807 854551198 /nfs/dbraw/zinc/55/11/98/854551198.db2.gz RPPKGKKGELUYEV-UHFFFAOYSA-N 1 0 393.553 3.625 20 30 GHEDRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000328792646 854558810 /nfs/dbraw/zinc/55/88/10/854558810.db2.gz RMIQGLLIUQZDCN-QAPCUYQASA-N 1 0 389.565 3.965 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000328842273 854572198 /nfs/dbraw/zinc/57/21/98/854572198.db2.gz VUIMKHFYJVUKHW-MOPGFXCFSA-N 1 0 389.927 3.776 20 30 GHEDRO CC(=O)N[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccs1 ZINC000328940876 854610108 /nfs/dbraw/zinc/61/01/08/854610108.db2.gz KVBHYSGJDIWMTR-KURKYZTESA-N 1 0 393.553 3.880 20 30 GHEDRO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000328941596 854610262 /nfs/dbraw/zinc/61/02/62/854610262.db2.gz SZGKKWODMXFVBE-HXUWFJFHSA-N 1 0 393.535 3.689 20 30 GHEDRO Cc1nnc(SCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1-c1cc(C)ccc1C ZINC000328949747 854614085 /nfs/dbraw/zinc/61/40/85/854614085.db2.gz WRWQKPXIOPQIDC-MSOLQXFVSA-N 1 0 399.564 3.868 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C(C)(C)C)cc1 ZINC000588985133 854629916 /nfs/dbraw/zinc/62/99/16/854629916.db2.gz PBMCGSNWTNEQMG-FQEVSTJZSA-N 1 0 382.504 3.802 20 30 GHEDRO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C2CC2)cc1 ZINC000328965488 854635540 /nfs/dbraw/zinc/63/55/40/854635540.db2.gz MKGJILRXHKVHQT-MQFRRQCYSA-N 1 0 386.536 3.655 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328981994 854640307 /nfs/dbraw/zinc/64/03/07/854640307.db2.gz YJPBDGHOBOZWGB-WQZMEWCLSA-N 1 0 382.508 3.680 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c(Br)c1 ZINC000330467213 854673228 /nfs/dbraw/zinc/67/32/28/854673228.db2.gz SAZLHMOUFHSONR-UHFFFAOYSA-N 1 0 384.318 3.904 20 30 GHEDRO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000589161968 854732269 /nfs/dbraw/zinc/73/22/69/854732269.db2.gz CJOSWWWEOQOFEZ-IYBDPMFKSA-N 1 0 388.581 3.632 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC000330893385 854777772 /nfs/dbraw/zinc/77/77/72/854777772.db2.gz DPQAFQDTGKZCRU-UHFFFAOYSA-N 1 0 394.947 3.687 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000589325032 854791453 /nfs/dbraw/zinc/79/14/53/854791453.db2.gz GRPPVWGTDNTKMU-UPVQGACJSA-N 1 0 386.499 3.720 20 30 GHEDRO CC(C)[C@H](CNC(=O)Nc1cn(C)nc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000331327722 854835891 /nfs/dbraw/zinc/83/58/91/854835891.db2.gz QLTWWMNYGSEWBW-AWEZNQCLSA-N 1 0 375.439 3.521 20 30 GHEDRO CC(C)(C)c1ccc(CC[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000589512809 854972315 /nfs/dbraw/zinc/97/23/15/854972315.db2.gz JTRAAHJXLZZQJC-QFIPXVFZSA-N 1 0 375.516 3.789 20 30 GHEDRO CSc1cc2c(cc1NC(=O)NCC(C)(C)C[NH+]1CCCC1)OCCO2 ZINC000330168319 862630578 /nfs/dbraw/zinc/63/05/78/862630578.db2.gz ZWQGIRVDCJJNFR-UHFFFAOYSA-N 1 0 379.526 3.628 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC000669335773 855043585 /nfs/dbraw/zinc/04/35/85/855043585.db2.gz QMFSJFVRJQBAPO-NJYVYQBISA-N 1 0 399.583 3.939 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000508893538 855049930 /nfs/dbraw/zinc/04/99/30/855049930.db2.gz HQAUTNURTKZVLP-UHFFFAOYSA-N 1 0 390.535 3.808 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)[C@@H]2C1 ZINC000330182875 862643744 /nfs/dbraw/zinc/64/37/44/862643744.db2.gz HNLNVXDJSDCUHL-XJKSGUPXSA-N 1 0 388.418 3.724 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000520476996 855230102 /nfs/dbraw/zinc/23/01/02/855230102.db2.gz DPMIYJFANJQEGT-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000273420834 855359767 /nfs/dbraw/zinc/35/97/67/855359767.db2.gz JUTOPYAIOXYWSZ-MJGOQNOKSA-N 1 0 385.439 3.698 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)C2)CC1 ZINC000590548119 855471621 /nfs/dbraw/zinc/47/16/21/855471621.db2.gz SHAFHLSRYHRQLA-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)c2cc3ccccc3n2CC#N)[NH+](C)C)cc1 ZINC000590532419 855486388 /nfs/dbraw/zinc/48/63/88/855486388.db2.gz ZJRGWBHVWGEBNB-NRFANRHFSA-N 1 0 392.528 3.919 20 30 GHEDRO N#CC1(NC(=O)C[NH2+]C2(c3ccccc3Br)CCCCC2)CCC1 ZINC000590759298 855565590 /nfs/dbraw/zinc/56/55/90/855565590.db2.gz YMCHUHGIGOFRLT-UHFFFAOYSA-N 1 0 390.325 3.761 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CC[NH+](C4CCC4)CC3)cn2)c1 ZINC000590804251 855595594 /nfs/dbraw/zinc/59/55/94/855595594.db2.gz WCKWAEJPXRJDNN-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO CCc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc(-c2ccncc2)n1 ZINC000301193303 855638059 /nfs/dbraw/zinc/63/80/59/855638059.db2.gz XOHNCNURLCEMJV-UHFFFAOYSA-N 1 0 398.514 3.685 20 30 GHEDRO CC(C)c1nc2ccc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2s1 ZINC000330276365 862714938 /nfs/dbraw/zinc/71/49/38/862714938.db2.gz MUMLPANITKWQCR-HNNXBMFYSA-N 1 0 388.537 3.619 20 30 GHEDRO C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@H+](C)Cc1ccccc1 ZINC000301408309 855689841 /nfs/dbraw/zinc/68/98/41/855689841.db2.gz WKACDECZIHPIEJ-OAHLLOKOSA-N 1 0 375.432 3.947 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H](c3cccc(F)c3)C3CCCC3)n2)CC1 ZINC000330272950 862711492 /nfs/dbraw/zinc/71/14/92/862711492.db2.gz YKIRVESIHXBDQY-OAQYLSRUSA-N 1 0 399.514 3.968 20 30 GHEDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000330276364 862714508 /nfs/dbraw/zinc/71/45/08/862714508.db2.gz MUFZIPYBBDHVMF-BZOLMPKZSA-N 1 0 390.528 3.513 20 30 GHEDRO CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000057847422 855762998 /nfs/dbraw/zinc/76/29/98/855762998.db2.gz PIZWPOKISFSXSY-OAHLLOKOSA-N 1 0 376.932 3.592 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465754199 855860314 /nfs/dbraw/zinc/86/03/14/855860314.db2.gz NAAXGRWZJWVZQL-HLAWJBBLSA-N 1 0 382.552 3.978 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC[C@@H]1[NH3+] ZINC000591284630 855883941 /nfs/dbraw/zinc/88/39/41/855883941.db2.gz SFRKKCOKLHJFNX-LPHOPBHVSA-N 1 0 394.475 3.950 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591284628 855884238 /nfs/dbraw/zinc/88/42/38/855884238.db2.gz SBICOPHCGPESEP-VQIMIIECSA-N 1 0 392.459 3.575 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591335394 855894450 /nfs/dbraw/zinc/89/44/50/855894450.db2.gz MUCRWYYMIJXJMX-NFBKMPQASA-N 1 0 388.515 3.757 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302670398 855907375 /nfs/dbraw/zinc/90/73/75/855907375.db2.gz NQQKXJWQBHHGJP-INIZCTEOSA-N 1 0 387.443 3.725 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108514467 855919707 /nfs/dbraw/zinc/91/97/07/855919707.db2.gz DWRVTHGXFGYMPP-HXUWFJFHSA-N 1 0 392.503 3.909 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000542811144 855969598 /nfs/dbraw/zinc/96/95/98/855969598.db2.gz KVZVNOKRHOMOOK-JXFKEZNVSA-N 1 0 391.471 3.566 20 30 GHEDRO CCN(Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000485011652 855990821 /nfs/dbraw/zinc/99/08/21/855990821.db2.gz AGASBRHINWVAPT-GOSISDBHSA-N 1 0 395.503 3.861 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H](C#N)CC2)C[C@H]1C(F)(F)F ZINC001168562504 856063072 /nfs/dbraw/zinc/06/30/72/856063072.db2.gz ZCGKXFFGHPRAPW-ILXRZTDVSA-N 1 0 375.435 3.942 20 30 GHEDRO N#Cc1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000573328396 856081973 /nfs/dbraw/zinc/08/19/73/856081973.db2.gz KTDOHPMPDGMJJS-UHFFFAOYSA-N 1 0 390.443 3.523 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171513538 856167647 /nfs/dbraw/zinc/16/76/47/856167647.db2.gz XRMNBDGJAMCPIH-FQEVSTJZSA-N 1 0 392.503 3.643 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)CC1 ZINC000171607211 856202809 /nfs/dbraw/zinc/20/28/09/856202809.db2.gz FVTMTXKRCMVNDB-FQEVSTJZSA-N 1 0 381.524 3.758 20 30 GHEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905202586 856210870 /nfs/dbraw/zinc/21/08/70/856210870.db2.gz RRCJIVVPLDCIOL-KBXCAEBGSA-N 1 0 384.442 3.501 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C)nc3cc(Br)ccc32)CC1 ZINC000171717642 856242395 /nfs/dbraw/zinc/24/23/95/856242395.db2.gz NHXDFAMRNZMHJG-UHFFFAOYSA-N 1 0 388.309 3.686 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CSc2ccc(Br)cc2C)CC1 ZINC000171725812 856244242 /nfs/dbraw/zinc/24/42/42/856244242.db2.gz LABYHGBFZRJHLX-UHFFFAOYSA-N 1 0 383.355 3.616 20 30 GHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000280954615 862774242 /nfs/dbraw/zinc/77/42/42/862774242.db2.gz JLFKZHBZVVNKJK-OFNKIYASSA-N 1 0 397.482 3.501 20 30 GHEDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000485268552 856294397 /nfs/dbraw/zinc/29/43/97/856294397.db2.gz DZJJLBVWMUTGDT-AFMYVXGZSA-N 1 0 397.519 3.544 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1 ZINC001168370145 856322406 /nfs/dbraw/zinc/32/24/06/856322406.db2.gz HSFAKWDAXDGTOJ-LJQANCHMSA-N 1 0 377.423 3.562 20 30 GHEDRO COc1ccc([C@@H]2C[C@H]([NH+]3CCN(c4cccc(C#N)c4)CC3)CCO2)cc1 ZINC001168670337 856399363 /nfs/dbraw/zinc/39/93/63/856399363.db2.gz JNANBDZWOHVWAS-GGAORHGYSA-N 1 0 377.488 3.609 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000905653048 856444603 /nfs/dbraw/zinc/44/46/03/856444603.db2.gz HVJIAESRZTXCGX-LLVKDONJSA-N 1 0 390.119 3.602 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000485416634 856463486 /nfs/dbraw/zinc/46/34/86/856463486.db2.gz UCTOGVZUZQTSPX-CVWFHCBDSA-N 1 0 375.472 3.596 20 30 GHEDRO CCc1cc(C#N)c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000110239688 856477594 /nfs/dbraw/zinc/47/75/94/856477594.db2.gz ADIIWEMKEMEKGE-UHFFFAOYSA-N 1 0 382.533 3.723 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC001128770780 856517282 /nfs/dbraw/zinc/51/72/82/856517282.db2.gz QRHHVUIIIPDCFF-UHFFFAOYSA-N 1 0 390.531 3.786 20 30 GHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000091686254 856567145 /nfs/dbraw/zinc/56/71/45/856567145.db2.gz MUOSTQXCKDLLIA-FQEVSTJZSA-N 1 0 391.519 3.591 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000181256285 862814364 /nfs/dbraw/zinc/81/43/64/862814364.db2.gz UMNUGBMZMBPZPQ-UHFFFAOYSA-N 1 0 377.510 3.866 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cccnc2Nc2ccc(OCC)cc2)CC1 ZINC000592069460 856650606 /nfs/dbraw/zinc/65/06/06/856650606.db2.gz PWLLTXTUESMREO-UHFFFAOYSA-N 1 0 380.492 3.604 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)CC1 ZINC000592080187 856652760 /nfs/dbraw/zinc/65/27/60/856652760.db2.gz NIJMUUZGBOVLQO-RTBURBONSA-N 1 0 397.563 3.710 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](CO)c2ccccc2C)c1C#N ZINC000542907490 856747973 /nfs/dbraw/zinc/74/79/73/856747973.db2.gz GRRQMDNTJVJXNR-OAQYLSRUSA-N 1 0 394.519 3.662 20 30 GHEDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000592182560 856764227 /nfs/dbraw/zinc/76/42/27/856764227.db2.gz AJEKXZNELCQZDT-HXUWFJFHSA-N 1 0 387.405 3.726 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000542928142 856874060 /nfs/dbraw/zinc/87/40/60/856874060.db2.gz QUJZMXSWRYWBDE-UHFFFAOYSA-N 1 0 384.867 3.828 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)C1(C#N)CCSCC1)c1ccc(Cl)cc1 ZINC001128870542 856893283 /nfs/dbraw/zinc/89/32/83/856893283.db2.gz MAXYIJMMEQIOPG-QGZVFWFLSA-N 1 0 379.957 3.876 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)CC1 ZINC000592485141 856893881 /nfs/dbraw/zinc/89/38/81/856893881.db2.gz HGCZFYBKNNZCBX-UHFFFAOYSA-N 1 0 394.519 3.940 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1C#N ZINC000058491798 856895809 /nfs/dbraw/zinc/89/58/09/856895809.db2.gz MZWSEEFIUMVUMM-UHFFFAOYSA-N 1 0 396.516 3.745 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000173569393 856997036 /nfs/dbraw/zinc/99/70/36/856997036.db2.gz CCKPTQJYPUEVKN-NRFANRHFSA-N 1 0 391.515 3.941 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1Br ZINC000007879228 857023969 /nfs/dbraw/zinc/02/39/69/857023969.db2.gz XRHSLVFVOZQACH-LBPRGKRZSA-N 1 0 388.265 3.619 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC000058559603 857055379 /nfs/dbraw/zinc/05/53/79/857055379.db2.gz GXUUKARWYCZIGS-KGLIPLIRSA-N 1 0 398.429 3.884 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000592772600 857060885 /nfs/dbraw/zinc/06/08/85/857060885.db2.gz MHRARZNAHQVPPZ-UEVCKROQSA-N 1 0 375.516 3.786 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000733326397 862867743 /nfs/dbraw/zinc/86/77/43/862867743.db2.gz ZVJLIDPRXFWEPE-HSZRJFAPSA-N 1 0 398.934 3.905 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000733326187 862867937 /nfs/dbraw/zinc/86/79/37/862867937.db2.gz MRRMDUAZUAGFAW-UHFFFAOYSA-N 1 0 388.261 3.522 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccccc1C#N ZINC000508328482 857170777 /nfs/dbraw/zinc/17/07/77/857170777.db2.gz VGVZDGYWLGKAMW-HNNXBMFYSA-N 1 0 398.488 3.707 20 30 GHEDRO C[NH+]1CCN(CCOc2ccc(-c3ccc(C4(C#N)CCC4)s3)cc2)CC1 ZINC000592987169 857176440 /nfs/dbraw/zinc/17/64/40/857176440.db2.gz QRINDYYABRMKFT-UHFFFAOYSA-N 1 0 381.545 3.987 20 30 GHEDRO C[N@H+](CCNC(=O)c1cccc(OCc2ccccc2C#N)c1)C1CCCC1 ZINC000520522126 857188948 /nfs/dbraw/zinc/18/89/48/857188948.db2.gz CGOOULBGXMDASR-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)CC1 ZINC000906594100 857191799 /nfs/dbraw/zinc/19/17/99/857191799.db2.gz WUMDGWXVLUWUPX-UHFFFAOYSA-N 1 0 399.926 3.871 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574138164 857258853 /nfs/dbraw/zinc/25/88/53/857258853.db2.gz RMCYFCUCZJESAQ-HTUUBCJYSA-N 1 0 387.527 3.935 20 30 GHEDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000593084985 857319436 /nfs/dbraw/zinc/31/94/36/857319436.db2.gz VDZDMUVKNBVHFW-VXKWHMMOSA-N 1 0 394.515 3.598 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174721744 857369141 /nfs/dbraw/zinc/36/91/41/857369141.db2.gz YETXHNJVNCXOIG-HNNXBMFYSA-N 1 0 376.460 3.586 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CC[NH2+]C34CCCC4)cn2)c1 ZINC000592423224 857387310 /nfs/dbraw/zinc/38/73/10/857387310.db2.gz OWQWSNJWFGFSLM-GOSISDBHSA-N 1 0 377.448 3.542 20 30 GHEDRO CCCc1c(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cnn1-c1ccc(C)cc1 ZINC000330328271 862910028 /nfs/dbraw/zinc/91/00/28/862910028.db2.gz LOAMJGALEGVMMC-LAUBAEHRSA-N 1 0 381.524 3.705 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCN2CCc3ccccc3C2)c(-c2ccccc2)n1 ZINC000113317576 857425259 /nfs/dbraw/zinc/42/52/59/857425259.db2.gz KXXVDLQFTBXSGQ-UHFFFAOYSA-N 1 0 385.515 3.612 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000281255370 862911993 /nfs/dbraw/zinc/91/19/93/862911993.db2.gz MTYAANXSLCMJAZ-APWZRJJASA-N 1 0 380.891 3.713 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)NCC1(C#N)CCCC1)[NH+]1CCCCC1 ZINC000593315983 857512684 /nfs/dbraw/zinc/51/26/84/857512684.db2.gz NYGWJEUKNAMCNQ-LJQANCHMSA-N 1 0 384.524 3.605 20 30 GHEDRO N#CC1(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCC1 ZINC000593431792 857586833 /nfs/dbraw/zinc/58/68/33/857586833.db2.gz UXUXQCKBHXNBBE-UHFFFAOYSA-N 1 0 380.536 3.768 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)cc2)nc1 ZINC000521109155 857628026 /nfs/dbraw/zinc/62/80/26/857628026.db2.gz GFXCLQLUSVWSIT-HXUWFJFHSA-N 1 0 390.487 3.836 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000922090893 857799391 /nfs/dbraw/zinc/79/93/91/857799391.db2.gz CNOCPPLXVWQLLI-WBVHZDCISA-N 1 0 390.325 3.592 20 30 GHEDRO N#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000594042180 857850698 /nfs/dbraw/zinc/85/06/98/857850698.db2.gz HLNVQWJYDJAFDS-FCHUYYIVSA-N 1 0 379.479 3.994 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000466039874 857961771 /nfs/dbraw/zinc/96/17/71/857961771.db2.gz SZMYHPHQTFNKPF-XLIONFOSSA-N 1 0 392.503 3.936 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000066185658 857991719 /nfs/dbraw/zinc/99/17/19/857991719.db2.gz MGWZLIJGTSKWNB-LJQANCHMSA-N 1 0 390.531 3.925 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000043574351 858000273 /nfs/dbraw/zinc/00/02/73/858000273.db2.gz KNCOIRCBWLTTKI-KRWDZBQOSA-N 1 0 377.492 3.583 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000574507671 858061430 /nfs/dbraw/zinc/06/14/30/858061430.db2.gz SPNURDQRGUPMSM-LJQANCHMSA-N 1 0 379.508 3.901 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000255658588 858128370 /nfs/dbraw/zinc/12/83/70/858128370.db2.gz WYXOVCAEEBUWFG-UTCJRWHESA-N 1 0 376.460 3.688 20 30 GHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000442792550 858136726 /nfs/dbraw/zinc/13/67/26/858136726.db2.gz QNJSPGZGXZNEBC-UHFFFAOYSA-N 1 0 381.442 3.959 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000594431394 858175571 /nfs/dbraw/zinc/17/55/71/858175571.db2.gz LPXVTVTZWNXLRD-GOSISDBHSA-N 1 0 384.867 3.942 20 30 GHEDRO COc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1NC(=O)C1CCCCC1 ZINC000594443408 858178809 /nfs/dbraw/zinc/17/88/09/858178809.db2.gz HAEVQGNXFIEDTF-QGZVFWFLSA-N 1 0 386.496 3.564 20 30 GHEDRO CC(C)N1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594447544 858179932 /nfs/dbraw/zinc/17/99/32/858179932.db2.gz YJJOJKSEIZXDAY-FHWLQOOXSA-N 1 0 394.922 3.530 20 30 GHEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594516638 858206762 /nfs/dbraw/zinc/20/67/62/858206762.db2.gz SNDBWIRLOLHXBM-JCGIZDLHSA-N 1 0 382.508 3.688 20 30 GHEDRO N#CC1(c2ccc(CNc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)cc2)CC1 ZINC000594735398 858268705 /nfs/dbraw/zinc/26/87/05/858268705.db2.gz NCFUTMHQEDXEDL-UHFFFAOYSA-N 1 0 388.515 3.679 20 30 GHEDRO C=CCC1([NH2+]Cc2ccc(F)cc2I)CCOCC1 ZINC000594978363 858338288 /nfs/dbraw/zinc/33/82/88/858338288.db2.gz ZFGUZJYAIQERPM-UHFFFAOYSA-N 1 0 375.225 3.645 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)cc2)CC1 ZINC000594944210 858341832 /nfs/dbraw/zinc/34/18/32/858341832.db2.gz RMTXMMXFDQFSCF-LJQANCHMSA-N 1 0 383.854 3.929 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C3(CN4CCN(c5ccccc5)CC4)CC3)cc2)CC1 ZINC000594986713 858359041 /nfs/dbraw/zinc/35/90/41/858359041.db2.gz GYTINPZYVYVUID-UHFFFAOYSA-N 1 0 386.543 3.686 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443109843 858368011 /nfs/dbraw/zinc/36/80/11/858368011.db2.gz ZSQVOXSXRGJXLM-UHFFFAOYSA-N 1 0 391.924 3.530 20 30 GHEDRO CCCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000067011006 858395050 /nfs/dbraw/zinc/39/50/50/858395050.db2.gz LRVDJENSZAJDLR-UHFFFAOYSA-N 1 0 380.492 3.509 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000067060347 858414561 /nfs/dbraw/zinc/41/45/61/858414561.db2.gz YPTYUQFWWPNVNU-UHFFFAOYSA-N 1 0 376.504 3.612 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](CC#N)C1)C1CCCCC1 ZINC000595084722 858415610 /nfs/dbraw/zinc/41/56/10/858415610.db2.gz IMTQKRSYHLGDDF-GOSISDBHSA-N 1 0 396.535 3.542 20 30 GHEDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3(C#N)CCCCC3)c2C1 ZINC000595188545 858433303 /nfs/dbraw/zinc/43/33/03/858433303.db2.gz QRVIVDZVCPDNFC-QGZVFWFLSA-N 1 0 396.535 3.575 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000575065574 858510364 /nfs/dbraw/zinc/51/03/64/858510364.db2.gz QYWFEYCZIGCRJT-IBGZPJMESA-N 1 0 389.588 3.697 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000595360873 858517631 /nfs/dbraw/zinc/51/76/31/858517631.db2.gz FRZQNWHHSZKLBJ-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(OCC)n1 ZINC000543142652 858584605 /nfs/dbraw/zinc/58/46/05/858584605.db2.gz CUEPDWKULDFQPZ-UHFFFAOYSA-N 1 0 387.553 3.579 20 30 GHEDRO N#CC1CCC(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595607891 858629089 /nfs/dbraw/zinc/62/90/89/858629089.db2.gz YYNARPBKBAKSAC-AOMIVXANSA-N 1 0 394.563 3.918 20 30 GHEDRO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)C[C@H](O)COc2ccc(CC#N)cc2)CO1 ZINC000595639428 858634554 /nfs/dbraw/zinc/63/45/54/858634554.db2.gz XWKOCFOPFWDKQO-YADHBBJMSA-N 1 0 394.515 3.562 20 30 GHEDRO Cc1cc(C)cc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000595651537 858638273 /nfs/dbraw/zinc/63/82/73/858638273.db2.gz CKWDFHDBUPOBMX-UHFFFAOYSA-N 1 0 376.504 3.639 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@H](C)CO ZINC000595674617 858645409 /nfs/dbraw/zinc/64/54/09/858645409.db2.gz MHNKZOUCEORKGB-JFIYKMOQSA-N 1 0 375.538 3.502 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C#N)cc3Br)CCOCC2)c1 ZINC000595764178 858662351 /nfs/dbraw/zinc/66/23/51/858662351.db2.gz GIUMMPNDQYSCPH-UHFFFAOYSA-N 1 0 396.288 3.988 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000595746532 858672991 /nfs/dbraw/zinc/67/29/91/858672991.db2.gz BMWHYOZNOJVREW-SFHVURJKSA-N 1 0 391.519 3.568 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000181956086 863064151 /nfs/dbraw/zinc/06/41/51/863064151.db2.gz VRUSKRWFRPERJJ-GDBMZVCRSA-N 1 0 377.431 3.792 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183710864 858803687 /nfs/dbraw/zinc/80/36/87/858803687.db2.gz ZEGGNNNYFKOFDU-SJLPKXTDSA-N 1 0 389.565 3.798 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc4c(c3)CCCO4)CC2)c1 ZINC000593151268 858810025 /nfs/dbraw/zinc/81/00/25/858810025.db2.gz QQXHBGLKBQNAHE-UHFFFAOYSA-N 1 0 390.487 3.669 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(c3snc(Cl)c3C#N)C2)ccn1 ZINC000856535687 881346519 /nfs/dbraw/zinc/34/65/19/881346519.db2.gz FIKHLSWKHROQGV-HNNXBMFYSA-N 1 0 391.928 3.561 20 30 GHEDRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)ccc1Br ZINC000429256928 858838264 /nfs/dbraw/zinc/83/82/64/858838264.db2.gz MKGSPOHCBUQAAC-LJQANCHMSA-N 1 0 394.357 3.723 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1)C(C)C ZINC000522228035 858866058 /nfs/dbraw/zinc/86/60/58/858866058.db2.gz SEMIWCJGAHQXRU-IFMALSPDSA-N 1 0 385.552 3.893 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000596438937 858897663 /nfs/dbraw/zinc/89/76/63/858897663.db2.gz AODGBARXEAQYCV-KRWDZBQOSA-N 1 0 397.548 3.847 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c(-c2ccncc2)n1 ZINC000922962805 858903096 /nfs/dbraw/zinc/90/30/96/858903096.db2.gz VFWJLXMRYCRAOZ-HSZRJFAPSA-N 1 0 387.487 3.654 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429279739 858911927 /nfs/dbraw/zinc/91/19/27/858911927.db2.gz VSMKCTPOQDFNOW-FZKQIMNGSA-N 1 0 392.341 3.670 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000596671953 858984736 /nfs/dbraw/zinc/98/47/36/858984736.db2.gz HUXZBTCQTSISQG-WMZHIEFXSA-N 1 0 390.531 3.795 20 30 GHEDRO N#CC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCCC1 ZINC000596644021 858994260 /nfs/dbraw/zinc/99/42/60/858994260.db2.gz SCZMWJDAFIWMOD-HXUWFJFHSA-N 1 0 380.536 3.672 20 30 GHEDRO C=CCC[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000160548114 858996085 /nfs/dbraw/zinc/99/60/85/858996085.db2.gz GBHXUNISHUCMGB-FKBYEOEOSA-N 1 0 385.552 3.761 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000596714676 858996723 /nfs/dbraw/zinc/99/67/23/858996723.db2.gz SKELKPFIVUSOOW-GOSISDBHSA-N 1 0 394.475 3.965 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000625854226 859027026 /nfs/dbraw/zinc/02/70/26/859027026.db2.gz CUMOVJDZLIEWCE-PSASIEDQSA-N 1 0 387.299 3.836 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)NC(C)(C)c2cccc(C#N)c2)cc1 ZINC000596734818 859033612 /nfs/dbraw/zinc/03/36/12/859033612.db2.gz AWBSMJRLBVSZHG-UHFFFAOYSA-N 1 0 380.492 3.946 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596736480 859034302 /nfs/dbraw/zinc/03/43/02/859034302.db2.gz WXDNIYCZDMVTAZ-DLBZAZTESA-N 1 0 390.553 3.655 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466303898 859045669 /nfs/dbraw/zinc/04/56/69/859045669.db2.gz ZVVGLBXDOMWRPI-BDTNDASRSA-N 1 0 380.536 3.732 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482991045 859046016 /nfs/dbraw/zinc/04/60/16/859046016.db2.gz SJLNSTZKLBHMMG-PBHICJAKSA-N 1 0 391.309 3.663 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](c3ccccc3)C(F)F)CC2)c1 ZINC000593219749 859047664 /nfs/dbraw/zinc/04/76/64/859047664.db2.gz XMKNEKGUOWNJOH-HXUWFJFHSA-N 1 0 398.457 3.828 20 30 GHEDRO N#Cc1ccc(CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000068484841 859047976 /nfs/dbraw/zinc/04/79/76/859047976.db2.gz HDTCCWMIARDRHH-UHFFFAOYSA-N 1 0 389.543 3.952 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000530475708 859101273 /nfs/dbraw/zinc/10/12/73/859101273.db2.gz QAQWBCZGLXHAGD-GOSISDBHSA-N 1 0 377.536 3.652 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185701912 859117603 /nfs/dbraw/zinc/11/76/03/859117603.db2.gz JFSJGMDUMNTBME-SFTDATJTSA-N 1 0 396.579 3.793 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCC(C(=O)Nc4ccc(O)cc4)CC3)cc2)CC1 ZINC000596992772 859232889 /nfs/dbraw/zinc/23/28/89/859232889.db2.gz FRKUNTNIXCUBQB-UHFFFAOYSA-N 1 0 375.472 3.798 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000601390795 859237287 /nfs/dbraw/zinc/23/72/87/859237287.db2.gz IIITZTAKBUBDKA-OXQOHEQNSA-N 1 0 385.870 3.968 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597034246 859248441 /nfs/dbraw/zinc/24/84/41/859248441.db2.gz ZHKAWVZKPVVRFM-UHFFFAOYSA-N 1 0 387.455 3.946 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)CC2)c(F)c1 ZINC000597126763 859314693 /nfs/dbraw/zinc/31/46/93/859314693.db2.gz JGYRJWWNSYGJMW-NRFANRHFSA-N 1 0 396.462 3.908 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000060468818 859326726 /nfs/dbraw/zinc/32/67/26/859326726.db2.gz UJQHKWAMOXREOO-FQEVSTJZSA-N 1 0 389.421 3.823 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483413973 859348959 /nfs/dbraw/zinc/34/89/59/859348959.db2.gz HRGPXCHRNADQHO-HZPDHXFCSA-N 1 0 383.458 3.966 20 30 GHEDRO CC[N@H+](CCc1ccccn1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000764314772 859376878 /nfs/dbraw/zinc/37/68/78/859376878.db2.gz KAPHUDNRVACIOK-HXUWFJFHSA-N 1 0 378.520 3.898 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000597254131 859379243 /nfs/dbraw/zinc/37/92/43/859379243.db2.gz IYYCJHPAMMZGMI-SFHVURJKSA-N 1 0 375.394 3.966 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000597279511 859400100 /nfs/dbraw/zinc/40/01/00/859400100.db2.gz WKDPCSANEPCMOV-QAPCUYQASA-N 1 0 383.442 3.962 20 30 GHEDRO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499735949 859403737 /nfs/dbraw/zinc/40/37/37/859403737.db2.gz XCHCSHMTMRPKRP-IBGZPJMESA-N 1 0 378.520 3.846 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2OCCc3cn(CC4CC4)nc32)CC1 ZINC001170359768 881424452 /nfs/dbraw/zinc/42/44/52/881424452.db2.gz FGHHGGKZLWFHTN-XERBYJISSA-N 1 0 390.531 3.901 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000114243857 859506864 /nfs/dbraw/zinc/50/68/64/859506864.db2.gz RQVSGAXCPFZFAK-UHFFFAOYSA-N 1 0 377.444 3.663 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(F)c(Cl)c3F)CC2)c1 ZINC000593351256 859527894 /nfs/dbraw/zinc/52/78/94/859527894.db2.gz LEJACDZFWFMUKT-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO CC1(C)COc2c1cccc2C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593351703 859530582 /nfs/dbraw/zinc/53/05/82/859530582.db2.gz QYFPAJHVJQBPFI-UHFFFAOYSA-N 1 0 389.499 3.623 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccoc3C(F)(F)F)CC2)c1 ZINC000593348820 859538970 /nfs/dbraw/zinc/53/89/70/859538970.db2.gz MWDUCMRZJZKXSR-UHFFFAOYSA-N 1 0 377.366 3.564 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4cccnc4s3)CC2)c1 ZINC000593349096 859541327 /nfs/dbraw/zinc/54/13/27/859541327.db2.gz POSFPDSXUOPFSF-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3F)CC2)c1 ZINC000593355674 859545434 /nfs/dbraw/zinc/54/54/34/859545434.db2.gz YBMMMYIZIFXTSG-RTWAWAEBSA-N 1 0 395.453 3.721 20 30 GHEDRO Cc1ccc(SCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593353217 859546763 /nfs/dbraw/zinc/54/67/63/859546763.db2.gz QHWFPEJJWMUMCW-UHFFFAOYSA-N 1 0 379.529 3.740 20 30 GHEDRO COc1cccc2cc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)oc21 ZINC000593353797 859548837 /nfs/dbraw/zinc/54/88/37/859548837.db2.gz GCDQOSNDEKGYQC-UHFFFAOYSA-N 1 0 389.455 3.707 20 30 GHEDRO C[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCc2ccccc2C1 ZINC000593354593 859556102 /nfs/dbraw/zinc/55/61/02/859556102.db2.gz TZPZTOSXRCOQLE-RUZDIDTESA-N 1 0 387.527 3.834 20 30 GHEDRO CC(C)(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593354995 859558018 /nfs/dbraw/zinc/55/80/18/859558018.db2.gz VHXQEWPOMITKPB-UHFFFAOYSA-N 1 0 379.479 3.756 20 30 GHEDRO CC(C)c1cccc(OCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593356258 859568125 /nfs/dbraw/zinc/56/81/25/859568125.db2.gz VJGXYCPCQFDVTI-UHFFFAOYSA-N 1 0 391.515 3.841 20 30 GHEDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000060575792 859572299 /nfs/dbraw/zinc/57/22/99/859572299.db2.gz BMIOEAGZDHTFSK-MRXNPFEDSA-N 1 0 385.895 3.569 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1)CC1CC1 ZINC000597466268 859575668 /nfs/dbraw/zinc/57/56/68/859575668.db2.gz LEVSLNIXDKBMSO-UHFFFAOYSA-N 1 0 375.463 3.811 20 30 GHEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cn(C)c2ccccc12 ZINC000185163045 859596094 /nfs/dbraw/zinc/59/60/94/859596094.db2.gz ZLDZCRFIBGEIDI-GOSISDBHSA-N 1 0 388.515 3.744 20 30 GHEDRO CC(C)([C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543411983 859630539 /nfs/dbraw/zinc/63/05/39/859630539.db2.gz RNIDCXWPBXXWRN-LJQANCHMSA-N 1 0 384.430 3.577 20 30 GHEDRO Cc1cccc(C)c1CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593380330 859683381 /nfs/dbraw/zinc/68/33/81/859683381.db2.gz ZWVGVDAQQKPNHB-UHFFFAOYSA-N 1 0 390.531 3.681 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000597658298 859707767 /nfs/dbraw/zinc/70/77/67/859707767.db2.gz UDPGCQXYURTTHB-HXUWFJFHSA-N 1 0 387.430 3.656 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1C ZINC000611350079 859713621 /nfs/dbraw/zinc/71/36/21/859713621.db2.gz AQKIAAANIFMGCN-NHCUHLMSSA-N 1 0 383.536 3.689 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000543440959 859714641 /nfs/dbraw/zinc/71/46/41/859714641.db2.gz RZAIMVIYGBSIPS-UHFFFAOYSA-N 1 0 398.894 3.536 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000611347930 859722100 /nfs/dbraw/zinc/72/21/00/859722100.db2.gz RXUJSBDUJUHVEP-QFIPXVFZSA-N 1 0 385.515 3.759 20 30 GHEDRO C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@@H]([NH+](C)C)C2)c1=S ZINC000765013366 859727077 /nfs/dbraw/zinc/72/70/77/859727077.db2.gz OEPCJOUBHJPVSN-QGZVFWFLSA-N 1 0 391.972 3.904 20 30 GHEDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000611387056 859731745 /nfs/dbraw/zinc/73/17/45/859731745.db2.gz DSDKVSNUSPKJMC-KBPBESRZSA-N 1 0 391.393 3.985 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2C[NH+]2CCCC2)c1=S ZINC000765006916 859734817 /nfs/dbraw/zinc/73/48/17/859734817.db2.gz ATVIGWFQXRDEDM-IBGZPJMESA-N 1 0 398.580 3.570 20 30 GHEDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391837 859735141 /nfs/dbraw/zinc/73/51/41/859735141.db2.gz AZAFSODTAHSQAC-JOCHJYFZSA-N 1 0 397.544 3.553 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000611396094 859735854 /nfs/dbraw/zinc/73/58/54/859735854.db2.gz PRNQUJHSVICDCK-HNNXBMFYSA-N 1 0 377.271 3.884 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000611393088 859735982 /nfs/dbraw/zinc/73/59/82/859735982.db2.gz IDKMLYUIZITPSK-NTUVXCKYSA-N 1 0 375.516 3.815 20 30 GHEDRO C=CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483978229 859738569 /nfs/dbraw/zinc/73/85/69/859738569.db2.gz KDFFSSVZKDGTLE-LJQANCHMSA-N 1 0 399.502 3.906 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1c(C)nn(C)c1C ZINC000543456403 859769375 /nfs/dbraw/zinc/76/93/75/859769375.db2.gz GFEZMXQBEYBVDP-WMLDXEAASA-N 1 0 399.564 3.968 20 30 GHEDRO CC1(C)[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1OCc1ccccc1 ZINC000611465632 859770819 /nfs/dbraw/zinc/77/08/19/859770819.db2.gz NIMPLIOSDUCWEH-VXKWHMMOSA-N 1 0 390.531 3.896 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(CN4CCCC4=O)c3)CC2)cc1 ZINC000611468273 859772322 /nfs/dbraw/zinc/77/23/22/859772322.db2.gz MLPRWJANGCSSKD-UHFFFAOYSA-N 1 0 388.515 3.757 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N2Cc3cccc(C#N)c3C2)[NH+](C)C)cc1 ZINC000593407304 859776789 /nfs/dbraw/zinc/77/67/89/859776789.db2.gz LCKRZOVTSZPJIQ-HXUWFJFHSA-N 1 0 380.517 3.608 20 30 GHEDRO N#CC(CCN1CC[NH+](C[C@@H]2CCCO2)CC1)(c1ccccc1)c1ccccc1 ZINC000611465178 859778002 /nfs/dbraw/zinc/77/80/02/859778002.db2.gz RVIYBHUNRDVBTF-DEOSSOPVSA-N 1 0 389.543 3.683 20 30 GHEDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000543462851 859782266 /nfs/dbraw/zinc/78/22/66/859782266.db2.gz DOUMWAIMZDZDPD-ACJLOTCBSA-N 1 0 391.899 3.640 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000484068498 859785569 /nfs/dbraw/zinc/78/55/69/859785569.db2.gz JJOQTJXSTUYLHU-IYBDPMFKSA-N 1 0 380.442 3.803 20 30 GHEDRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000484095277 859801167 /nfs/dbraw/zinc/80/11/67/859801167.db2.gz IJTTTWQWPXHLCN-UHFFFAOYSA-N 1 0 399.498 3.903 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCc4cc(F)ccc43)CC2)c1 ZINC000597818797 859828845 /nfs/dbraw/zinc/82/88/45/859828845.db2.gz GCOIDTDQJIARMJ-QFIPXVFZSA-N 1 0 377.463 3.508 20 30 GHEDRO CCO/C=C\[C@@](O)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000895706278 859835246 /nfs/dbraw/zinc/83/52/46/859835246.db2.gz AZIWZONQGNZPPJ-BBLCGDLCSA-N 1 0 382.426 3.824 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597911285 859905262 /nfs/dbraw/zinc/90/52/62/859905262.db2.gz IWSHRVUMLCDYNM-HKUYNNGSSA-N 1 0 379.426 3.593 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000091792576 859933799 /nfs/dbraw/zinc/93/37/99/859933799.db2.gz BTLWBHGUOMUMEZ-UHFFFAOYSA-N 1 0 385.471 3.853 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C2CCN(c3ccc(C#N)cn3)CC2)c(O)c1 ZINC000727265474 860020122 /nfs/dbraw/zinc/02/01/22/860020122.db2.gz QPEOFTPLZYTDHU-JLPGSUDCSA-N 1 0 377.492 3.593 20 30 GHEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC000443734976 860020457 /nfs/dbraw/zinc/02/04/57/860020457.db2.gz SFXLSDUMPVMPJR-UHFFFAOYSA-N 1 0 395.956 3.533 20 30 GHEDRO CN(Cc1ccc(F)cc1F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511383 860072297 /nfs/dbraw/zinc/07/22/97/860072297.db2.gz XUQYSQYVMRVKLI-UHFFFAOYSA-N 1 0 398.457 3.642 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000602548120 860094785 /nfs/dbraw/zinc/09/47/85/860094785.db2.gz WWTHXZANJOIIQR-IAGOWNOFSA-N 1 0 377.479 3.618 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000602548906 860095365 /nfs/dbraw/zinc/09/53/65/860095365.db2.gz WSMQTCXVCPJHMZ-JKSUJKDBSA-N 1 0 392.341 3.716 20 30 GHEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCCC[C@@H]12 ZINC000593514420 860103489 /nfs/dbraw/zinc/10/34/89/860103489.db2.gz WVWUFDWVYFEILA-WTNAPCKOSA-N 1 0 380.536 3.743 20 30 GHEDRO N#Cc1ccc2ncc(C[N@@H+](CCc3ccccn3)Cc3ccc(F)cc3)n2c1 ZINC000093005347 860188822 /nfs/dbraw/zinc/18/88/22/860188822.db2.gz WQXAALMPECKWLW-UHFFFAOYSA-N 1 0 385.446 3.985 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602697190 860209956 /nfs/dbraw/zinc/20/99/56/860209956.db2.gz VVUZPTODOIUXEO-KRWDZBQOSA-N 1 0 382.265 3.531 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001128501781 860253767 /nfs/dbraw/zinc/25/37/67/860253767.db2.gz SHTUEYZXVHEQBJ-XMMPIXPASA-N 1 0 378.516 3.822 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598395056 860276835 /nfs/dbraw/zinc/27/68/35/860276835.db2.gz BBNZCJXZSLZAMR-FQEVSTJZSA-N 1 0 391.490 3.658 20 30 GHEDRO C=CC[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)CC1CCCCC1 ZINC000484692613 860277524 /nfs/dbraw/zinc/27/75/24/860277524.db2.gz BOZUBOPBTVEILJ-UHFFFAOYSA-N 1 0 380.536 3.616 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC3(CC2)OC(=O)c2ncccc23)CC1 ZINC001170395080 881521166 /nfs/dbraw/zinc/52/11/66/881521166.db2.gz GVNHVHKEVGMWDS-UHFFFAOYSA-N 1 0 387.483 3.947 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000904277208 860306266 /nfs/dbraw/zinc/30/62/66/860306266.db2.gz HZVIGBBITGKKGH-XLIONFOSSA-N 1 0 382.851 3.589 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NC1(c2cc(Cl)cc(Br)c2)CC1 ZINC001119316171 860327176 /nfs/dbraw/zinc/32/71/76/860327176.db2.gz DMVPUSCSULJJFC-AWEZNQCLSA-N 1 0 384.705 3.619 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000727980046 860347901 /nfs/dbraw/zinc/34/79/01/860347901.db2.gz CDSUNDACNZDGTG-FQEVSTJZSA-N 1 0 394.544 3.908 20 30 GHEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1(C)C ZINC001170398565 881531420 /nfs/dbraw/zinc/53/14/20/881531420.db2.gz FIFCQMOMSQOADR-IPHXSNPTSA-N 1 0 394.519 3.553 20 30 GHEDRO COc1cc(N2CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)ccn1 ZINC001170398364 881531584 /nfs/dbraw/zinc/53/15/84/881531584.db2.gz OUXFHKIQMJXMRS-UHFFFAOYSA-N 1 0 376.504 3.616 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](CCCN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000508980560 860388734 /nfs/dbraw/zinc/38/87/34/860388734.db2.gz XDSLMRRSRCWEJZ-UHFFFAOYSA-N 1 0 386.543 3.860 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)cn2)c1 ZINC000765660887 860389918 /nfs/dbraw/zinc/38/99/18/860389918.db2.gz GDOGGGKXJASRDC-IBGZPJMESA-N 1 0 391.475 3.884 20 30 GHEDRO CCOC(=O)c1nnn(C2CC[NH+](CCCCC(C)(C)C#N)CC2)c1C(F)F ZINC000602968282 860400857 /nfs/dbraw/zinc/40/08/57/860400857.db2.gz ASUTXORAMYUUMA-UHFFFAOYSA-N 1 0 397.470 3.749 20 30 GHEDRO COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000552244737 860409625 /nfs/dbraw/zinc/40/96/25/860409625.db2.gz IQQQCAPRNDDBPC-XJKSGUPXSA-N 1 0 387.480 3.865 20 30 GHEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552281816 860415487 /nfs/dbraw/zinc/41/54/87/860415487.db2.gz KRJQZYFCECZIBU-VFNWGFHPSA-N 1 0 383.442 3.943 20 30 GHEDRO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598586487 860434055 /nfs/dbraw/zinc/43/40/55/860434055.db2.gz GZWXAECJUNEUFH-AWEZNQCLSA-N 1 0 386.323 3.945 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C3CCCCC3)cc2)c1C#N ZINC000598648628 860481826 /nfs/dbraw/zinc/48/18/26/860481826.db2.gz GZMHBRBHGPLOEF-UHFFFAOYSA-N 1 0 379.508 3.662 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001170375632 881545719 /nfs/dbraw/zinc/54/57/19/881545719.db2.gz BOBGVZCPLCGHCI-UHFFFAOYSA-N 1 0 379.426 3.533 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000922697454 860485435 /nfs/dbraw/zinc/48/54/35/860485435.db2.gz OAQPPBNRBJKCQB-OALUTQOASA-N 1 0 381.442 3.612 20 30 GHEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c(C(F)(F)F)c2)n1 ZINC000598719056 860527980 /nfs/dbraw/zinc/52/79/80/860527980.db2.gz FMRCGSGPYJDXKV-KRWDZBQOSA-N 1 0 394.441 3.898 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000603179325 860532132 /nfs/dbraw/zinc/53/21/32/860532132.db2.gz VREXKFTXDJNFHS-SFHVURJKSA-N 1 0 394.523 3.550 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)s1 ZINC000125262664 860628155 /nfs/dbraw/zinc/62/81/55/860628155.db2.gz WFOQUOKAXWLXDB-UHFFFAOYSA-N 1 0 383.517 3.592 20 30 GHEDRO COc1ccc(C[NH2+]CCN2c3ccccc3C[C@H]2C)cc1OCCCC#N ZINC000237384617 860684724 /nfs/dbraw/zinc/68/47/24/860684724.db2.gz PXEYWEXAFOTQKK-GOSISDBHSA-N 1 0 379.504 3.919 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000429021905 860718633 /nfs/dbraw/zinc/71/86/33/860718633.db2.gz SCDXPQXGXDLRDZ-BESBDSHLSA-N 1 0 396.579 3.601 20 30 GHEDRO C[NH+](C)CC1(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCCCC1 ZINC000494325597 881579565 /nfs/dbraw/zinc/57/95/65/881579565.db2.gz DXFZNESQJGXZAS-UHFFFAOYSA-N 1 0 383.414 3.950 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 ZINC000730060654 860855647 /nfs/dbraw/zinc/85/56/47/860855647.db2.gz BPJBHHDZFCBFIU-UHFFFAOYSA-N 1 0 390.915 3.629 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CN=Cc3cc4ccccc4[nH]c3=O)cc2F)CC1 ZINC000730147197 860897990 /nfs/dbraw/zinc/89/79/90/860897990.db2.gz MOHXGFCJGQUYAD-XYGWBWBKSA-N 1 0 392.478 3.841 20 30 GHEDRO Cc1ccccc1C[C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000600081786 860921150 /nfs/dbraw/zinc/92/11/50/860921150.db2.gz MCTFAMCQRQPXFO-LJQANCHMSA-N 1 0 375.516 3.826 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000329001304 860939113 /nfs/dbraw/zinc/93/91/13/860939113.db2.gz VYLRVMCEMFVARF-BZUAXINKSA-N 1 0 375.488 3.600 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)Nc1nc2c(s1)CCC2 ZINC000329035384 860964893 /nfs/dbraw/zinc/96/48/93/860964893.db2.gz CCPRBGOVHYPUOQ-SOLBZPMBSA-N 1 0 383.517 3.724 20 30 GHEDRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000329034693 860965677 /nfs/dbraw/zinc/96/56/77/860965677.db2.gz MKRBTTUVWKGORA-LEWJYISDSA-N 1 0 383.536 3.646 20 30 GHEDRO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329050967 860979254 /nfs/dbraw/zinc/97/92/54/860979254.db2.gz WJXOOKCGQOFYHG-SFHVURJKSA-N 1 0 395.613 3.935 20 30 GHEDRO C=C[C@@H](CC(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)c1ccccc1 ZINC000856632291 881602426 /nfs/dbraw/zinc/60/24/26/881602426.db2.gz SGMXKCAXFMAWLV-CVDCTZTESA-N 1 0 393.531 3.873 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000603689253 861046787 /nfs/dbraw/zinc/04/67/87/861046787.db2.gz FDNWUPMMXGDRGY-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCCCC#N ZINC000599340972 861076690 /nfs/dbraw/zinc/07/66/90/861076690.db2.gz HLPJHEISHIOMQL-ISKFKSNPSA-N 1 0 375.516 3.886 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)CCOCC1 ZINC000599340318 861076734 /nfs/dbraw/zinc/07/67/34/861076734.db2.gz SOJLBFKBVYZFDG-LADGPHEKSA-N 1 0 390.527 3.900 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000329164961 861092502 /nfs/dbraw/zinc/09/25/02/861092502.db2.gz HCZZGVLNEPZKEN-CQSZACIVSA-N 1 0 385.489 3.860 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000899562442 861135040 /nfs/dbraw/zinc/13/50/40/861135040.db2.gz SQNFUGBXELFWDA-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000329212758 861151363 /nfs/dbraw/zinc/15/13/63/861151363.db2.gz IGQKDKKNLJAYNO-FPOVZHCZSA-N 1 0 385.552 3.987 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599416339 861160454 /nfs/dbraw/zinc/16/04/54/861160454.db2.gz IGOADDBMEJRGKS-RDJZCZTQSA-N 1 0 384.442 3.640 20 30 GHEDRO C=CC[C@H]1N(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCCC1(C)C ZINC000665460259 861174054 /nfs/dbraw/zinc/17/40/54/861174054.db2.gz FKXWMDCYOBGOLD-HXUWFJFHSA-N 1 0 377.573 3.654 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000329237575 861182016 /nfs/dbraw/zinc/18/20/16/861182016.db2.gz PBYXBYSAMUSFIX-PMAMDCHESA-N 1 0 399.579 3.999 20 30 GHEDRO Cn1c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc2ccc(Cl)cc21 ZINC000482542000 863280459 /nfs/dbraw/zinc/28/04/59/863280459.db2.gz FCGIJRALYDCTKS-MRXNPFEDSA-N 1 0 397.885 3.996 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1 ZINC000160195050 863393816 /nfs/dbraw/zinc/39/38/16/863393816.db2.gz JBKAECNFAXIDDM-VQIMIIECSA-N 1 0 390.466 3.598 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593986710 863667999 /nfs/dbraw/zinc/66/79/99/863667999.db2.gz IFTSTMATWKMFRF-CVDCTZTESA-N 1 0 375.516 3.717 20 30 GHEDRO C=CCCSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000606754289 863820991 /nfs/dbraw/zinc/82/09/91/863820991.db2.gz FHKJMXOBVASUQU-UHFFFAOYSA-N 1 0 377.579 3.957 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCCO1 ZINC000594043480 863915331 /nfs/dbraw/zinc/91/53/31/863915331.db2.gz NVUBGOKWYRPNPO-IRXDYDNUSA-N 1 0 375.538 3.764 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1OCC ZINC000494432863 881716749 /nfs/dbraw/zinc/71/67/49/881716749.db2.gz VBTIIVAGKKYGMX-JKSUJKDBSA-N 1 0 384.314 3.662 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1OCC ZINC000494432862 881717341 /nfs/dbraw/zinc/71/73/41/881717341.db2.gz VBTIIVAGKKYGMX-HZPDHXFCSA-N 1 0 384.314 3.662 20 30 GHEDRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000896947265 864122358 /nfs/dbraw/zinc/12/23/58/864122358.db2.gz ATRNPBUNJARIQG-IEBWSBKVSA-N 1 0 393.487 3.837 20 30 GHEDRO CCOc1ccc(NC(=S)NN=C2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000734362850 864176583 /nfs/dbraw/zinc/17/65/83/864176583.db2.gz UJDFHTGNQBTFTC-INIZCTEOSA-N 1 0 397.548 3.665 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1Cl ZINC000153063473 881737999 /nfs/dbraw/zinc/73/79/99/881737999.db2.gz CKCRODUPVJMIEA-UHFFFAOYSA-N 1 0 384.823 3.507 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1cccc(C(F)(F)F)c1 ZINC000186134090 864345800 /nfs/dbraw/zinc/34/58/00/864345800.db2.gz FAXUMCJPINHZNL-INIZCTEOSA-N 1 0 397.347 3.888 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000043489988 864350014 /nfs/dbraw/zinc/35/00/14/864350014.db2.gz XLOWCOGPAKNZNA-UHFFFAOYSA-N 1 0 378.520 3.967 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)c(C)c2c1 ZINC000184328241 864370125 /nfs/dbraw/zinc/37/01/25/864370125.db2.gz SFGIOVNMOWMZOI-HNNXBMFYSA-N 1 0 398.484 3.746 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000523006283 864397771 /nfs/dbraw/zinc/39/77/71/864397771.db2.gz KUHSKYKDOABWMG-IBGZPJMESA-N 1 0 391.515 3.874 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297899 864522584 /nfs/dbraw/zinc/52/25/84/864522584.db2.gz FMEJHIOPGXIUIM-UHFFFAOYSA-N 1 0 398.419 3.828 20 30 GHEDRO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Oc1ccccc1Cl ZINC000262459176 864523145 /nfs/dbraw/zinc/52/31/45/864523145.db2.gz LXCFLBXHZUXGNI-CYBMUJFWSA-N 1 0 375.856 3.695 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000735038715 864580352 /nfs/dbraw/zinc/58/03/52/864580352.db2.gz DBBCJZNUVSSWFW-UHFFFAOYSA-N 1 0 390.531 3.844 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000729571008 864582962 /nfs/dbraw/zinc/58/29/62/864582962.db2.gz XKFKKYQTHZMNHH-UHFFFAOYSA-N 1 0 387.524 3.608 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000480386214 864595410 /nfs/dbraw/zinc/59/54/10/864595410.db2.gz LIODTJKLDHMTFB-JTSKRJEESA-N 1 0 393.535 3.640 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2nnn(-c3cccc(C(C)C)c3)c2CCC)CC1 ZINC000607645416 864616419 /nfs/dbraw/zinc/61/64/19/864616419.db2.gz BKLKFVCPQXRBSD-UHFFFAOYSA-N 1 0 395.551 3.723 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000063401886 864696991 /nfs/dbraw/zinc/69/69/91/864696991.db2.gz YITHZKCRCZLCCA-SFHVURJKSA-N 1 0 388.493 3.657 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)s2)cn1 ZINC000554692688 864728907 /nfs/dbraw/zinc/72/89/07/864728907.db2.gz HFNFPWINWLXQBY-UHFFFAOYSA-N 1 0 393.516 3.895 20 30 GHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310015 864734726 /nfs/dbraw/zinc/73/47/26/864734726.db2.gz OLBUWBJSFPRFQV-JKSUJKDBSA-N 1 0 377.916 3.759 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000475302100 864738192 /nfs/dbraw/zinc/73/81/92/864738192.db2.gz KGERFKGGQZNRED-MJGOQNOKSA-N 1 0 385.552 3.808 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1Cl ZINC000826795781 864778172 /nfs/dbraw/zinc/77/81/72/864778172.db2.gz WYLVXJCFLUVXAE-KRWDZBQOSA-N 1 0 381.863 3.924 20 30 GHEDRO CC[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CC[C@@H](c2ccccc2)C1 ZINC000262475605 864838470 /nfs/dbraw/zinc/83/84/70/864838470.db2.gz PZJPTSDMUHPFPH-OAQYLSRUSA-N 1 0 388.519 3.531 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000608061416 864955246 /nfs/dbraw/zinc/95/52/46/864955246.db2.gz AFSCVECIPOBIMN-DZGCQCFKSA-N 1 0 383.330 3.595 20 30 GHEDRO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)c(C)s1)N1CC[C@@H](COC)C1 ZINC000262486434 864977847 /nfs/dbraw/zinc/97/78/47/864977847.db2.gz SPROUZFKXQXDIM-CQSZACIVSA-N 1 0 392.956 3.816 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NCc2ccon2)c1 ZINC000131109147 864998602 /nfs/dbraw/zinc/99/86/02/864998602.db2.gz UOZDVANHSPCSBO-UHFFFAOYSA-O 1 0 386.884 3.653 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(CC#N)c1)c1cccc(OC)c1 ZINC000455953961 865148479 /nfs/dbraw/zinc/14/84/79/865148479.db2.gz VFKHQQKWMCBLQO-OAQYLSRUSA-N 1 0 380.492 3.966 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000554953591 865233405 /nfs/dbraw/zinc/23/34/05/865233405.db2.gz FBRMBMVRUBNJDN-KYNGSXCRSA-N 1 0 381.923 3.627 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](CO)C2CCCC2)c1C#N ZINC000554973511 865249849 /nfs/dbraw/zinc/24/98/49/865249849.db2.gz YTAPQFPTFFUJLN-FQEVSTJZSA-N 1 0 386.540 3.561 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000736639120 865254651 /nfs/dbraw/zinc/25/46/51/865254651.db2.gz KEUYZZFHJKWSHG-LJQANCHMSA-N 1 0 397.523 3.769 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000171737717 865350554 /nfs/dbraw/zinc/35/05/54/865350554.db2.gz QEBGPCMOHFAANV-QGZVFWFLSA-N 1 0 393.915 3.670 20 30 GHEDRO CC1(C#N)CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000899128062 865350814 /nfs/dbraw/zinc/35/08/14/865350814.db2.gz OIVWUKUHZUEZLL-QHAWAJNXSA-N 1 0 380.536 3.622 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1OC ZINC000737958634 865466124 /nfs/dbraw/zinc/46/61/24/865466124.db2.gz BZLSJTVEZXJGMJ-BENRWUELSA-N 1 0 384.520 3.750 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCOc2cc(OC)ccc21)C(C)C ZINC000608640899 865525406 /nfs/dbraw/zinc/52/54/06/865525406.db2.gz FVEVVZKCEOSYQU-WOJBJXKFSA-N 1 0 387.524 3.517 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000594243093 865535662 /nfs/dbraw/zinc/53/56/62/865535662.db2.gz YSSMUJPPYUBVAR-KRWDZBQOSA-N 1 0 379.479 3.657 20 30 GHEDRO C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594236691 865548153 /nfs/dbraw/zinc/54/81/53/865548153.db2.gz ONYIJMYKDUIVAW-CDMIOBSGSA-N 1 0 376.504 3.926 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475453488 865656451 /nfs/dbraw/zinc/65/64/51/865656451.db2.gz YAGXRWRDPBAAEF-HXUWFJFHSA-N 1 0 389.499 3.552 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000567605732 865752785 /nfs/dbraw/zinc/75/27/85/865752785.db2.gz BUKKBAUTRXHGLY-WMIMKTLMSA-N 1 0 381.516 3.643 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000555253051 865765745 /nfs/dbraw/zinc/76/57/45/865765745.db2.gz WDSHJTYMENDHNJ-FQEVSTJZSA-N 1 0 396.583 3.808 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000555243119 865775021 /nfs/dbraw/zinc/77/50/21/865775021.db2.gz HEDQTCVUDJEDGL-UHFFFAOYSA-N 1 0 395.551 3.806 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000555260413 865792142 /nfs/dbraw/zinc/79/21/42/865792142.db2.gz PEROBGPNAJCHFL-UHFFFAOYSA-N 1 0 399.539 3.504 20 30 GHEDRO C=CCCCCC[N@@H+](C)Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000739887621 865809385 /nfs/dbraw/zinc/80/93/85/865809385.db2.gz VQEBDDHXMXVJTE-UHFFFAOYSA-N 1 0 397.566 3.850 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000739990594 865820867 /nfs/dbraw/zinc/82/08/67/865820867.db2.gz RLRTWWCGRSVFMF-MBSDFSHPSA-N 1 0 391.515 3.794 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(C#N)cc1 ZINC000739990890 865821798 /nfs/dbraw/zinc/82/17/98/865821798.db2.gz TZJPLMVYSFSNSN-WZONZLPQSA-N 1 0 391.515 3.937 20 30 GHEDRO N#Cc1cccc(NCC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000494560899 881911207 /nfs/dbraw/zinc/91/12/07/881911207.db2.gz CBBINGPPEZINCU-FQEVSTJZSA-N 1 0 382.895 3.577 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1C#N ZINC000609025053 865903528 /nfs/dbraw/zinc/90/35/28/865903528.db2.gz XSHKPFIQQLYJHV-SZNDQCEHSA-N 1 0 386.565 3.793 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740467337 865936092 /nfs/dbraw/zinc/93/60/92/865936092.db2.gz LVBWILSJPBNVOG-MRXNPFEDSA-N 1 0 382.533 3.960 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(c3cc(CC)ncn3)CC2)ccc1OC ZINC000174936346 865958474 /nfs/dbraw/zinc/95/84/74/865958474.db2.gz NMKGUZAUJIHZGY-UHFFFAOYSA-N 1 0 396.535 3.761 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH+]3CCC(CC#N)CC3)C2=O)ccc1Br ZINC000547336015 865992721 /nfs/dbraw/zinc/99/27/21/865992721.db2.gz IROZDNNREJUPPI-SFHVURJKSA-N 1 0 390.325 3.879 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CCSC1 ZINC000481203975 866003941 /nfs/dbraw/zinc/00/39/41/866003941.db2.gz MHLDXOZAVBAAKV-OAQYLSRUSA-N 1 0 397.569 3.877 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000609916352 866141198 /nfs/dbraw/zinc/14/11/98/866141198.db2.gz ZQWQPPXUGSUXCY-KRWDZBQOSA-N 1 0 396.922 3.747 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)sc2c1CCC2 ZINC000151922103 866269157 /nfs/dbraw/zinc/26/91/57/866269157.db2.gz LYYLSPZEBFHOOQ-YOEHRIQHSA-N 1 0 399.516 3.618 20 30 GHEDRO COc1ccc(OCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000071007914 866296659 /nfs/dbraw/zinc/29/66/59/866296659.db2.gz OTOVOTCXKCSIOV-UHFFFAOYSA-N 1 0 376.460 3.641 20 30 GHEDRO COCCOc1ccc(C#N)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183224607 866399037 /nfs/dbraw/zinc/39/90/37/866399037.db2.gz UVGZICSTWDUSFW-UHFFFAOYSA-N 1 0 390.487 3.532 20 30 GHEDRO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000793153263 881976799 /nfs/dbraw/zinc/97/67/99/881976799.db2.gz POSIWTRYAFIRKB-ZDUSSCGKSA-N 1 0 391.256 3.669 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C#N)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000183254707 866449829 /nfs/dbraw/zinc/44/98/29/866449829.db2.gz HZDWLNOQLDJEHZ-FCHUYYIVSA-N 1 0 375.472 3.583 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000552947000 866518017 /nfs/dbraw/zinc/51/80/17/866518017.db2.gz FRARNZHSMSLGHB-JPYJTQIMSA-N 1 0 379.504 3.971 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)ccc1OC ZINC000857076920 881991249 /nfs/dbraw/zinc/99/12/49/881991249.db2.gz YYEJXOBGDIQXND-ICSRJNTNSA-N 1 0 393.487 3.964 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000534378951 866688807 /nfs/dbraw/zinc/68/88/07/866688807.db2.gz KZPVZRCKDFNAQL-CTNGQTDRSA-N 1 0 383.536 3.687 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000857118201 882027125 /nfs/dbraw/zinc/02/71/25/882027125.db2.gz GFFRSMCKZFHBSX-GOSISDBHSA-N 1 0 393.572 3.570 20 30 GHEDRO C=C(C)[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccc(F)c(F)c1 ZINC000478920722 866880951 /nfs/dbraw/zinc/88/09/51/866880951.db2.gz SICFZGFLHQEKRT-JOCHJYFZSA-N 1 0 399.485 3.759 20 30 GHEDRO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444588103 866909636 /nfs/dbraw/zinc/90/96/36/866909636.db2.gz DIPRLUXXBKWSDX-IBGZPJMESA-N 1 0 391.943 3.892 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000189932984 882044441 /nfs/dbraw/zinc/04/44/41/882044441.db2.gz XLQIXQQONXBZMR-MRVPVSSYSA-N 1 0 397.310 3.927 20 30 GHEDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000444774056 867213683 /nfs/dbraw/zinc/21/36/83/867213683.db2.gz HISTUDIVUGRIBV-OXJNMPFZSA-N 1 0 375.538 3.504 20 30 GHEDRO C=CC[C@@H]1[N@H+](CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000444776598 867220659 /nfs/dbraw/zinc/22/06/59/867220659.db2.gz POGFWDQNPYZPGH-FQEVSTJZSA-N 1 0 392.565 3.876 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c(OC(F)F)c1 ZINC000444788805 867252328 /nfs/dbraw/zinc/25/23/28/867252328.db2.gz XYTBZYPYJQKOFD-UHFFFAOYSA-N 1 0 386.442 3.977 20 30 GHEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)CCCC1(C)C ZINC000444790082 867253071 /nfs/dbraw/zinc/25/30/71/867253071.db2.gz HIAAZJVNZWKWCN-GOSISDBHSA-N 1 0 376.497 3.718 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000479159600 867260323 /nfs/dbraw/zinc/26/03/23/867260323.db2.gz HNUSHPDUQAYZMS-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO C#CCOc1ccc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000742373295 867267999 /nfs/dbraw/zinc/26/79/99/867267999.db2.gz ULKLXPKCSSZGJD-UHFFFAOYSA-N 1 0 384.785 3.934 20 30 GHEDRO N#CCC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000553385199 867335140 /nfs/dbraw/zinc/33/51/40/867335140.db2.gz OVSJJJMSBJSMKS-HKUYNNGSSA-N 1 0 389.293 3.823 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](C3CCC(C)(C(=O)OC)CC3)CC2)C1 ZINC001168773138 867403348 /nfs/dbraw/zinc/40/33/48/867403348.db2.gz ZFBWIFCGBKGFAZ-UHFFFAOYSA-N 1 0 392.540 3.609 20 30 GHEDRO Cc1cc2cc[nH]c2cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000444988536 867585118 /nfs/dbraw/zinc/58/51/18/867585118.db2.gz PZDFQZQKFCFSOH-UHFFFAOYSA-N 1 0 375.476 3.944 20 30 GHEDRO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000534838758 867616222 /nfs/dbraw/zinc/61/62/22/867616222.db2.gz HJEAIJCDQPZWRY-KRWDZBQOSA-N 1 0 395.478 3.570 20 30 GHEDRO CCOc1cc(Br)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000154965929 867686474 /nfs/dbraw/zinc/68/64/74/867686474.db2.gz ZBAHGOGXDBRLEC-UHFFFAOYSA-N 1 0 397.317 3.547 20 30 GHEDRO C[C@H]1C[N@H+](CCCNc2c(Br)cc(Cl)cc2C#N)CCCO1 ZINC000553583197 867729012 /nfs/dbraw/zinc/72/90/12/867729012.db2.gz LSKPFLFRTWBNJH-LBPRGKRZSA-N 1 0 386.721 3.887 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cnn(-c2ccccc2)c1)[n+]1ccc(CC)cc1 ZINC000743052759 867787878 /nfs/dbraw/zinc/78/78/78/867787878.db2.gz MVEPBSIEJUGPON-UHFFFAOYSA-O 1 0 391.520 3.709 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC[C@H](O)CC(C)(C)C#N)cc2Cl)CC1 ZINC000857238231 882134319 /nfs/dbraw/zinc/13/43/19/882134319.db2.gz IBEPNKLSNYFRJR-QGZVFWFLSA-N 1 0 378.948 3.585 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000743199471 867950150 /nfs/dbraw/zinc/95/01/50/867950150.db2.gz DQZJQYDSLMBEIH-UHFFFAOYSA-N 1 0 397.494 3.866 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000743200455 867951441 /nfs/dbraw/zinc/95/14/41/867951441.db2.gz DQTRQGIEZTYDQF-FQEVSTJZSA-N 1 0 381.451 3.796 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000479575413 868109274 /nfs/dbraw/zinc/10/92/74/868109274.db2.gz CMHHDNLMJILRTA-UHFFFAOYSA-N 1 0 394.482 3.614 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc(OC)c1OC ZINC000457375953 868192684 /nfs/dbraw/zinc/19/26/84/868192684.db2.gz MCCZUELXSNZYCO-VQTJNVASSA-N 1 0 398.478 3.528 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)CC1 ZINC000743490731 868235816 /nfs/dbraw/zinc/23/58/16/868235816.db2.gz VVQAYRMYDMGRLZ-FQEVSTJZSA-N 1 0 390.527 3.649 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000091857869 882186857 /nfs/dbraw/zinc/18/68/57/882186857.db2.gz KETCYBWLBWACGI-OAHLLOKOSA-N 1 0 398.894 3.877 20 30 GHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000553888022 868429101 /nfs/dbraw/zinc/42/91/01/868429101.db2.gz ZFQGIUYJEIKMKX-UHFFFAOYSA-N 1 0 395.956 3.631 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)CC1 ZINC000857310168 882194711 /nfs/dbraw/zinc/19/47/11/882194711.db2.gz YAPTVFODRICXHQ-UHFFFAOYSA-N 1 0 394.422 3.508 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000524103961 868531848 /nfs/dbraw/zinc/53/18/48/868531848.db2.gz HWFRAVUXHCEHGJ-MSOLQXFVSA-N 1 0 395.503 3.625 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157226612 868596909 /nfs/dbraw/zinc/59/69/09/868596909.db2.gz RZZOESPLDCNIGK-VXKWHMMOSA-N 1 0 396.579 3.889 20 30 GHEDRO COc1cc(CNCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)ccc1C#N ZINC000440821370 868760821 /nfs/dbraw/zinc/76/08/21/868760821.db2.gz MVOHBYDBIDKAKI-GOSISDBHSA-N 1 0 379.504 3.556 20 30 GHEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744403564 868813722 /nfs/dbraw/zinc/81/37/22/868813722.db2.gz SSGKBYMUYMKLBG-UHFFFAOYSA-N 1 0 378.451 3.514 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181523822 868833533 /nfs/dbraw/zinc/83/35/33/868833533.db2.gz SWEAYSTZACCOKY-MRXNPFEDSA-N 1 0 393.516 3.835 20 30 GHEDRO N#Cc1ccc(OCCCO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)cc1 ZINC000744445666 868847258 /nfs/dbraw/zinc/84/72/58/868847258.db2.gz DUWHSSZAPMDVRN-UHFFFAOYSA-N 1 0 378.476 3.655 20 30 GHEDRO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)cc1C ZINC000744445956 868847375 /nfs/dbraw/zinc/84/73/75/868847375.db2.gz JUWKUOLRCNTBTB-UHFFFAOYSA-N 1 0 380.492 3.569 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000609082219 868957246 /nfs/dbraw/zinc/95/72/46/868957246.db2.gz GRXVNMGZJCBJJS-UHFFFAOYSA-N 1 0 378.423 3.642 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000609082896 868963025 /nfs/dbraw/zinc/96/30/25/868963025.db2.gz CIWHTEKFJAUZID-MJBXVCDLSA-N 1 0 380.439 3.648 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000064130043 868989341 /nfs/dbraw/zinc/98/93/41/868989341.db2.gz NXMYKOOSOSHINN-OAQYLSRUSA-N 1 0 396.579 3.828 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccsc1 ZINC000524435406 869053225 /nfs/dbraw/zinc/05/32/25/869053225.db2.gz SBSWWZIVTKPHAK-AWEZNQCLSA-N 1 0 380.420 3.646 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000793551340 882260578 /nfs/dbraw/zinc/26/05/78/882260578.db2.gz FURALJQKYWKJCF-UHFFFAOYSA-N 1 0 385.508 3.560 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1OC ZINC000623534833 869237499 /nfs/dbraw/zinc/23/74/99/869237499.db2.gz AEEJHXXXSLVZJS-KRWDZBQOSA-N 1 0 379.859 3.746 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1 ZINC000609095474 869416171 /nfs/dbraw/zinc/41/61/71/869416171.db2.gz WDKRRHOZHIHJAG-PKTZIBPZSA-N 1 0 390.531 3.726 20 30 GHEDRO C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC12CCCCC2 ZINC000462453256 869468946 /nfs/dbraw/zinc/46/89/46/869468946.db2.gz BUWSEULUNOVRSA-SFHVURJKSA-N 1 0 391.519 3.975 20 30 GHEDRO CC[N@H+](CC(=O)N(C)CCCOc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000524754505 869505516 /nfs/dbraw/zinc/50/55/16/869505516.db2.gz ZWYQUYFKASZEDN-IBGZPJMESA-N 1 0 379.504 3.869 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)nc1 ZINC000428792442 869545667 /nfs/dbraw/zinc/54/56/67/869545667.db2.gz WMBZVAUKMRCRAA-QFIPXVFZSA-N 1 0 398.466 3.859 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000133668773 882327342 /nfs/dbraw/zinc/32/73/42/882327342.db2.gz UFGHTZDUZCDUSV-UHFFFAOYSA-N 1 0 388.471 3.670 20 30 GHEDRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000441014783 869794021 /nfs/dbraw/zinc/79/40/21/869794021.db2.gz JQZSTJPNLJAQGN-LIRRHRJNSA-N 1 0 395.528 3.761 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(Br)c1 ZINC000539839163 869901442 /nfs/dbraw/zinc/90/14/42/869901442.db2.gz LVCRWOXXABTGJY-UHFFFAOYSA-N 1 0 389.293 3.978 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000525068579 869947474 /nfs/dbraw/zinc/94/74/74/869947474.db2.gz LIZJCLLULXMRNB-UHFFFAOYSA-N 1 0 397.523 3.633 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+](C)C ZINC000508861263 869958493 /nfs/dbraw/zinc/95/84/93/869958493.db2.gz HRIHDHLZXOAGGN-UTKZUKDTSA-N 1 0 376.504 3.846 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1scnc1C ZINC000505454473 870107457 /nfs/dbraw/zinc/10/74/57/870107457.db2.gz ASRPROFPQCWISB-UHFFFAOYSA-N 1 0 377.583 3.592 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C)C2)cc1 ZINC001192261904 870245855 /nfs/dbraw/zinc/24/58/55/870245855.db2.gz LUWFNRURIPPYPU-JKSUJKDBSA-N 1 0 394.519 3.891 20 30 GHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508863902 870305434 /nfs/dbraw/zinc/30/54/34/870305434.db2.gz LXIMKJUVRAJWAG-YLJYHZDGSA-N 1 0 381.524 3.794 20 30 GHEDRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1OC(F)F ZINC000538696289 870322943 /nfs/dbraw/zinc/32/29/43/870322943.db2.gz SYPLMLOXHWAWOH-UHFFFAOYSA-N 1 0 398.413 3.859 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000538700704 870334034 /nfs/dbraw/zinc/33/40/34/870334034.db2.gz ZVDOSFAMQVIZJD-LEWJYISDSA-N 1 0 395.890 3.928 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(OC)C2CC2)cc1OC ZINC000462914327 870379554 /nfs/dbraw/zinc/37/95/54/870379554.db2.gz XJWXRDCWWWKONI-SFHVURJKSA-N 1 0 384.314 3.927 20 30 GHEDRO FC(F)(F)c1ccc2nnc([C@H]3CCC[N@H+](CC#Cc4ccccc4)C3)n2c1 ZINC000192081153 870403897 /nfs/dbraw/zinc/40/38/97/870403897.db2.gz GMUPUHHUANWMLQ-KRWDZBQOSA-N 1 0 384.405 3.979 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccccc2N2CC[NH+](CCC)CC2)cc1 ZINC000446891001 870654892 /nfs/dbraw/zinc/65/48/92/870654892.db2.gz SAPVZAKUIYQRHI-UHFFFAOYSA-N 1 0 392.547 3.747 20 30 GHEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000248900205 870685635 /nfs/dbraw/zinc/68/56/35/870685635.db2.gz HDSVEOOTACCJMZ-BBRMVZONSA-N 1 0 392.297 3.963 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000766437333 870767643 /nfs/dbraw/zinc/76/76/43/870767643.db2.gz JYPWQPCOLFBAGP-HKUYNNGSSA-N 1 0 380.488 3.645 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(N(CC[NH3+])c3cccnc3)nn2)c1 ZINC001168834172 870892198 /nfs/dbraw/zinc/89/21/98/870892198.db2.gz GCAIEWZANHUTLF-UHFFFAOYSA-N 1 0 384.365 3.526 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000249794445 870910780 /nfs/dbraw/zinc/91/07/80/870910780.db2.gz WLUVKJKTUCNFSR-OALUTQOASA-N 1 0 398.551 3.743 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1 ZINC001193282126 871001962 /nfs/dbraw/zinc/00/19/62/871001962.db2.gz IXKNSVNGVYRFSF-LJQANCHMSA-N 1 0 378.394 3.753 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)CCCCC2 ZINC000429713097 871031778 /nfs/dbraw/zinc/03/17/78/871031778.db2.gz VAMBASDCBCGUEZ-BEVDRBHNSA-N 1 0 399.560 3.764 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000540355347 871055122 /nfs/dbraw/zinc/05/51/22/871055122.db2.gz YPCICVUKNVMTCB-MRUHUIDDSA-N 1 0 375.513 3.578 20 30 GHEDRO N#Cc1ncc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)cc1C(F)(F)F ZINC001168996638 871081915 /nfs/dbraw/zinc/08/19/15/871081915.db2.gz VAAPHDWIKJHUQM-UHFFFAOYSA-N 1 0 379.773 3.856 20 30 GHEDRO CC(C)(C#N)CCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000174823278 882477465 /nfs/dbraw/zinc/47/74/65/882477465.db2.gz VXZWUMAEZRGRML-UHFFFAOYSA-N 1 0 393.329 3.825 20 30 GHEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540387958 871143497 /nfs/dbraw/zinc/14/34/97/871143497.db2.gz KUDDKYOKOVDZMW-QGZVFWFLSA-N 1 0 386.455 3.935 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)CC1 ZINC000090554041 871149897 /nfs/dbraw/zinc/14/98/97/871149897.db2.gz QTHSMXNWCUOCKH-UHFFFAOYSA-N 1 0 380.536 3.851 20 30 GHEDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001193518171 871156478 /nfs/dbraw/zinc/15/64/78/871156478.db2.gz VRUPKNYSPCNCBZ-OAQYLSRUSA-N 1 0 397.544 3.590 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000540406608 871196554 /nfs/dbraw/zinc/19/65/54/871196554.db2.gz KAAOWAFCEXSAMS-KRWDZBQOSA-N 1 0 389.565 3.761 20 30 GHEDRO C[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cccc(C#N)c1 ZINC000461902988 871201580 /nfs/dbraw/zinc/20/15/80/871201580.db2.gz RYERDTFOLYZFBX-LAUBAEHRSA-N 1 0 389.499 3.766 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc(C#N)c1 ZINC000461928482 871294397 /nfs/dbraw/zinc/29/43/97/871294397.db2.gz MWCZTGBUYNUWEX-GOSISDBHSA-N 1 0 388.515 3.832 20 30 GHEDRO CCCCCCCOC(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001194012442 871433429 /nfs/dbraw/zinc/43/34/29/871433429.db2.gz OYPMSLRZTURIKU-MSOLQXFVSA-N 1 0 397.560 3.624 20 30 GHEDRO CCCCCCCOC(=O)NC1(C(=O)OC)CC[NH+](Cc2ccccc2)CC1 ZINC001194016012 871434663 /nfs/dbraw/zinc/43/46/63/871434663.db2.gz RMLPZKKBRHYMGI-UHFFFAOYSA-N 1 0 390.524 3.891 20 30 GHEDRO C=CCC1(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCOCC1 ZINC000618250727 871448039 /nfs/dbraw/zinc/44/80/39/871448039.db2.gz LZYDWPQAZMGWMP-UHFFFAOYSA-N 1 0 395.547 3.649 20 30 GHEDRO COc1ccc(CNc2ccccc2N2CC[NH+](C)CC2)cc1OCCCC#N ZINC000763500030 871458388 /nfs/dbraw/zinc/45/83/88/871458388.db2.gz ACMLDACMKWMGDD-UHFFFAOYSA-N 1 0 394.519 3.742 20 30 GHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccsc2)cc1 ZINC000618285213 871467318 /nfs/dbraw/zinc/46/73/18/871467318.db2.gz UCRFCMCKTPKXTM-INIZCTEOSA-N 1 0 375.501 3.787 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ncc(Br)s2)CC1 ZINC000525833783 871519931 /nfs/dbraw/zinc/51/99/31/871519931.db2.gz CONOYTWJDWHTMZ-UHFFFAOYSA-N 1 0 393.310 3.652 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000181901782 871604183 /nfs/dbraw/zinc/60/41/83/871604183.db2.gz SAFQXCUXWSVGQN-WDJPJFJCSA-N 1 0 393.531 3.919 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2cccc(F)c2)cc1 ZINC000539316969 871676913 /nfs/dbraw/zinc/67/69/13/871676913.db2.gz MJTABRHWNSXXHQ-UHFFFAOYSA-N 1 0 383.467 3.996 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000921073435 882538436 /nfs/dbraw/zinc/53/84/36/882538436.db2.gz HFVXLDQKUQRPNW-AWEZNQCLSA-N 1 0 380.330 3.626 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000182028165 871756355 /nfs/dbraw/zinc/75/63/55/871756355.db2.gz MNENURNVDAHRBJ-PBHICJAKSA-N 1 0 378.394 3.959 20 30 GHEDRO [NH2+]=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001169719481 871808739 /nfs/dbraw/zinc/80/87/39/871808739.db2.gz AMIHQXMDFWTJTD-QGZVFWFLSA-N 1 0 375.394 3.716 20 30 GHEDRO CCCCCCC[N@H+](CC(=O)NC(N)=O)[C@H](C)c1ccc(Br)cc1 ZINC001169761711 871848631 /nfs/dbraw/zinc/84/86/31/871848631.db2.gz NFSDLVCOIGTSEX-CQSZACIVSA-N 1 0 398.345 3.977 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000508890553 882555290 /nfs/dbraw/zinc/55/52/90/882555290.db2.gz XQDCXEHJNUUBAN-KRWDZBQOSA-N 1 0 393.491 3.616 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000618797411 872004080 /nfs/dbraw/zinc/00/40/80/872004080.db2.gz XZBOWAOCWXJUBZ-YADHBBJMSA-N 1 0 376.504 3.710 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000618808864 872017029 /nfs/dbraw/zinc/01/70/29/872017029.db2.gz YTKFZEJPNKFYSY-NZQKXSOJSA-N 1 0 388.515 3.757 20 30 GHEDRO CN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000618840862 872052693 /nfs/dbraw/zinc/05/26/93/872052693.db2.gz MGXGIRUOAWOISR-GMAHTHKFSA-N 1 0 388.515 3.852 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618842373 872054674 /nfs/dbraw/zinc/05/46/74/872054674.db2.gz LQJLDJIHGFIXEP-JPYJTQIMSA-N 1 0 388.515 3.852 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618842826 872055095 /nfs/dbraw/zinc/05/50/95/872055095.db2.gz QNINXVLSHQMWLU-HSZRJFAPSA-N 1 0 390.531 3.752 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618842375 872055264 /nfs/dbraw/zinc/05/52/64/872055264.db2.gz LQJLDJIHGFIXEP-WZONZLPQSA-N 1 0 388.515 3.852 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(N(CC)c3ccccc3)cc2)CC1 ZINC000174684448 872147995 /nfs/dbraw/zinc/14/79/95/872147995.db2.gz BQBSDXPHUMCTQO-UHFFFAOYSA-N 1 0 375.516 3.806 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCNc3nc(Cl)c(C#N)s3)CC2)c1 ZINC000804346971 872209828 /nfs/dbraw/zinc/20/98/28/872209828.db2.gz ZYMLTBOFCGDAOC-UHFFFAOYSA-N 1 0 375.929 3.601 20 30 GHEDRO COc1ccccc1[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)[NH+]1CCCC1 ZINC000443408470 872298074 /nfs/dbraw/zinc/29/80/74/872298074.db2.gz KVBLVBCRORWTGF-KRWDZBQOSA-N 1 0 390.409 3.652 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000767425749 872511777 /nfs/dbraw/zinc/51/17/77/872511777.db2.gz MORGQCJMZDEFHY-SCLBCKFNSA-N 1 0 375.266 3.563 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000552606818 872893255 /nfs/dbraw/zinc/89/32/55/872893255.db2.gz PJKIKRJRTIQOJE-UHFFFAOYSA-N 1 0 391.924 3.530 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001196159192 872919237 /nfs/dbraw/zinc/91/92/37/872919237.db2.gz MVLOQSBHONRMMM-AVRDEDQJSA-N 1 0 384.545 3.635 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000527297847 872972860 /nfs/dbraw/zinc/97/28/60/872972860.db2.gz UDFPSOUAKLMSLK-MSOLQXFVSA-N 1 0 393.535 3.748 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000619785566 872997664 /nfs/dbraw/zinc/99/76/64/872997664.db2.gz UTGYYPJUJCGDCC-BJESRGMDSA-N 1 0 376.500 3.903 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000527324566 873014136 /nfs/dbraw/zinc/01/41/36/873014136.db2.gz OSAPAMATNHGLDI-UHFFFAOYSA-N 1 0 391.450 3.962 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)CC1 ZINC000527349710 873026442 /nfs/dbraw/zinc/02/64/42/873026442.db2.gz CJDIJUBAJYDGOZ-UHFFFAOYSA-N 1 0 389.478 3.959 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619826302 873058639 /nfs/dbraw/zinc/05/86/39/873058639.db2.gz PSNDEKALSUQCDZ-UHFFFAOYSA-N 1 0 386.883 3.611 20 30 GHEDRO CCN1CC[C@H]([NH2+]CCOc2ccccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000619809719 873062375 /nfs/dbraw/zinc/06/23/75/873062375.db2.gz CZEPFELCYJVRPQ-GHTZIAJQSA-N 1 0 389.421 3.779 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000153018163 873103749 /nfs/dbraw/zinc/10/37/49/873103749.db2.gz MUWLUKMLLIZMNP-KRWDZBQOSA-N 1 0 377.960 3.707 20 30 GHEDRO CC[C@H](CO)[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC001196420842 873104451 /nfs/dbraw/zinc/10/44/51/873104451.db2.gz URLLWNAUFMFLLU-ATKRNPRHSA-N 1 0 399.579 3.852 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000153087150 873182927 /nfs/dbraw/zinc/18/29/27/873182927.db2.gz ZEJAANBFHPZFAK-QGPMSJSTSA-N 1 0 381.442 3.939 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000768247285 873187888 /nfs/dbraw/zinc/18/78/88/873187888.db2.gz BBNZREKXTHZDBF-QGZVFWFLSA-N 1 0 376.497 3.571 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000768504690 873343616 /nfs/dbraw/zinc/34/36/16/873343616.db2.gz VTVPJIRIMLKVFJ-HZPDHXFCSA-N 1 0 389.594 3.702 20 30 GHEDRO C[C@H](C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000464186683 873373753 /nfs/dbraw/zinc/37/37/53/873373753.db2.gz PTXSYAASRITAQC-PGRDOPGGSA-N 1 0 399.498 3.944 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)cc(OC)c1 ZINC000768554276 873381137 /nfs/dbraw/zinc/38/11/37/873381137.db2.gz HEARPPXGQUQDDZ-SFHVURJKSA-N 1 0 381.476 3.683 20 30 GHEDRO C=CC[N@H+](Cc1cncc(Br)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000541349813 873411716 /nfs/dbraw/zinc/41/17/16/873411716.db2.gz UQSJKWRVKXBEHJ-CQSZACIVSA-N 1 0 399.296 3.569 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000448523630 873546021 /nfs/dbraw/zinc/54/60/21/873546021.db2.gz AIILYXCIAGDLQP-IYBDPMFKSA-N 1 0 380.442 3.803 20 30 GHEDRO COC(=O)[C@@H](N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)c1ccc(C#N)cc1 ZINC000768804290 873563222 /nfs/dbraw/zinc/56/32/22/873563222.db2.gz CKYXBHVSBNBAQP-YADHBBJMSA-N 1 0 379.504 3.519 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)CCOCC2)cc1 ZINC000527812336 873598848 /nfs/dbraw/zinc/59/88/48/873598848.db2.gz RXWUBHLASADOQH-UHFFFAOYSA-N 1 0 390.462 3.738 20 30 GHEDRO CC(C)(C)OCCC[NH+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001197336060 873750259 /nfs/dbraw/zinc/75/02/59/873750259.db2.gz UUTZFONGDYQNHE-UHFFFAOYSA-N 1 0 398.469 3.760 20 30 GHEDRO Cc1cc(C(=O)N2CCC(Cc3ccc(C#N)cc3)CC2)nn1-c1cc[nH+]cc1 ZINC001197534313 873862943 /nfs/dbraw/zinc/86/29/43/873862943.db2.gz UXIMTNAMKUXPKU-UHFFFAOYSA-N 1 0 385.471 3.542 20 30 GHEDRO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1(Cc2ccccc2)CCCC1 ZINC001197565703 873904578 /nfs/dbraw/zinc/90/45/78/873904578.db2.gz XAWCUKBBFJXMLX-UHFFFAOYSA-N 1 0 386.495 3.773 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1c(C)nn(C)c1C ZINC000541592848 873905974 /nfs/dbraw/zinc/90/59/74/873905974.db2.gz DQZGHQQSACZFST-DNVCBOLYSA-N 1 0 385.487 3.552 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000541592888 873906677 /nfs/dbraw/zinc/90/66/77/873906677.db2.gz HCVLAXHHMGYLRB-UHFFFAOYSA-N 1 0 382.895 3.985 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448822218 874018443 /nfs/dbraw/zinc/01/84/43/874018443.db2.gz JYQSMOBUJHPAQP-IIAWOOMASA-N 1 0 390.325 3.798 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)cc1C#N ZINC000769417112 874034164 /nfs/dbraw/zinc/03/41/64/874034164.db2.gz FFXZFCUJLFGPOZ-OAHLLOKOSA-N 1 0 378.394 3.526 20 30 GHEDRO C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)c1 ZINC000192136432 882794424 /nfs/dbraw/zinc/79/44/24/882794424.db2.gz MVPIZIRIPGPFCF-UHFFFAOYSA-N 1 0 383.492 3.856 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(F)c(Cl)c3)CCOCC2)c1 ZINC000595765976 874172326 /nfs/dbraw/zinc/17/23/26/874172326.db2.gz YMBHSYMHJCGGDL-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccc(C#N)cc1 ZINC000769636408 874179367 /nfs/dbraw/zinc/17/93/67/874179367.db2.gz WHHHQQGRMCOQEK-YQQQUEKLSA-N 1 0 385.508 3.847 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC(C)([NH+]4CCOCC4)CC3)c2c1 ZINC000528189100 874180703 /nfs/dbraw/zinc/18/07/03/874180703.db2.gz ASCXVTZIDJKSSX-UHFFFAOYSA-N 1 0 378.520 3.921 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000464660436 874243448 /nfs/dbraw/zinc/24/34/48/874243448.db2.gz HDJJDMWGPOSSDN-SFHVURJKSA-N 1 0 378.476 3.549 20 30 GHEDRO N#Cc1cccc(C(=O)NCCCCC[NH+]2CCCCC2)c1Br ZINC000448958421 874287633 /nfs/dbraw/zinc/28/76/33/874287633.db2.gz XLFJRTYYMNRKJN-UHFFFAOYSA-N 1 0 378.314 3.707 20 30 GHEDRO C[C@H](C[NH2+]CCSCc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449061300 874399574 /nfs/dbraw/zinc/39/95/74/874399574.db2.gz IEMKNJXKAQFZBQ-MRXNPFEDSA-N 1 0 388.558 3.588 20 30 GHEDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000541863648 874413123 /nfs/dbraw/zinc/41/31/23/874413123.db2.gz KFNGZZGAGSZMDJ-WIYYLYMNSA-N 1 0 399.498 3.618 20 30 GHEDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000541863647 874413225 /nfs/dbraw/zinc/41/32/25/874413225.db2.gz KFNGZZGAGSZMDJ-RXVVDRJESA-N 1 0 399.498 3.618 20 30 GHEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C3CCC(C)(C#N)CC3)CC2)cc1 ZINC000449103950 874476070 /nfs/dbraw/zinc/47/60/70/874476070.db2.gz CNYDDERBPCNKCO-UHFFFAOYSA-N 1 0 389.565 3.511 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)c3cncn3-c3cc[nH+]cc3)n2)s1 ZINC001198541540 874492258 /nfs/dbraw/zinc/49/22/58/874492258.db2.gz LJAYXCGTRPJQCC-UHFFFAOYSA-N 1 0 378.442 3.576 20 30 GHEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000541913188 874515555 /nfs/dbraw/zinc/51/55/55/874515555.db2.gz AERNFBYOVWXJJX-MGPUTAFESA-N 1 0 380.467 3.975 20 30 GHEDRO CN(C)c1ccc(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000775882619 874517412 /nfs/dbraw/zinc/51/74/12/874517412.db2.gz IZBKUDPCCMSTOS-UHFFFAOYSA-N 1 0 390.531 3.879 20 30 GHEDRO Cc1oc2cc(O)ccc2c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001198634622 874534044 /nfs/dbraw/zinc/53/40/44/874534044.db2.gz SYNYGBLMRZDALD-UHFFFAOYSA-N 1 0 389.455 3.735 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000494698439 882844497 /nfs/dbraw/zinc/84/44/97/882844497.db2.gz VHOFWUWHPZOCAT-UHFFFAOYSA-N 1 0 375.516 3.914 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001198791159 874614265 /nfs/dbraw/zinc/61/42/65/874614265.db2.gz SFHSDRQFPDONJL-LDQXTDLNSA-N 1 0 387.549 3.768 20 30 GHEDRO N#CCC1CC[NH+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000541952461 874622516 /nfs/dbraw/zinc/62/25/16/874622516.db2.gz WDGCLKZVSNOIIV-UHFFFAOYSA-N 1 0 375.516 3.884 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CCOc3cccc(C#N)c3)C[C@H]1CCCC2 ZINC001198838478 874675390 /nfs/dbraw/zinc/67/53/90/874675390.db2.gz ZSCIIPIJQXRGHN-XXBNENTESA-N 1 0 399.535 3.954 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000464890696 874725490 /nfs/dbraw/zinc/72/54/90/874725490.db2.gz INLBMXRBIOVDSL-GOSISDBHSA-N 1 0 397.548 3.705 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001198956829 874727695 /nfs/dbraw/zinc/72/76/95/874727695.db2.gz GJKKFGDCOINODY-KRWDZBQOSA-N 1 0 380.492 3.989 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(C)C[C@H]1Cc1ccccc1 ZINC001199050206 874776604 /nfs/dbraw/zinc/77/66/04/874776604.db2.gz VHFMMWHENPSXTI-HXUWFJFHSA-N 1 0 392.503 3.736 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000770687444 874822633 /nfs/dbraw/zinc/82/26/33/874822633.db2.gz RECIASFXPFOFJP-NRFANRHFSA-N 1 0 398.547 3.744 20 30 GHEDRO Cc1cc(Br)c(C[NH2+]CCNc2ccc(C#N)cn2)cc1Cl ZINC001199162710 874832952 /nfs/dbraw/zinc/83/29/52/874832952.db2.gz YDDIVFLBWXTIMU-UHFFFAOYSA-N 1 0 379.689 3.879 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1Br)CC2 ZINC001203319426 874849733 /nfs/dbraw/zinc/84/97/33/874849733.db2.gz XJQXXTSLRZOCQH-UHFFFAOYSA-N 1 0 379.298 3.670 20 30 GHEDRO Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)n(C(C)C)n1 ZINC001199223774 874861149 /nfs/dbraw/zinc/86/11/49/874861149.db2.gz KVZOCXTXNYMPJI-MXVIHJGJSA-N 1 0 379.508 3.556 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000770793178 874874273 /nfs/dbraw/zinc/87/42/73/874874273.db2.gz UIPQWWMMXGNFMP-ZDUSSCGKSA-N 1 0 395.381 3.646 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000528681249 874880496 /nfs/dbraw/zinc/88/04/96/874880496.db2.gz QSRDOAARINIWQV-JOCHJYFZSA-N 1 0 392.503 3.907 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c(C)c1C ZINC000528777623 875049927 /nfs/dbraw/zinc/04/99/27/875049927.db2.gz CJLQRCTYBXKYRO-UHFFFAOYSA-N 1 0 383.517 3.779 20 30 GHEDRO CC(C)c1cccc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000528780450 875052114 /nfs/dbraw/zinc/05/21/14/875052114.db2.gz CMDZCCWXMRCQHR-UHFFFAOYSA-N 1 0 377.488 3.916 20 30 GHEDRO N#Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001199679758 875123689 /nfs/dbraw/zinc/12/36/89/875123689.db2.gz IPKJHGGJHRNDID-QFIPXVFZSA-N 1 0 384.483 3.803 20 30 GHEDRO C=CCSc1ncccc1C(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001199734952 875179144 /nfs/dbraw/zinc/17/91/44/875179144.db2.gz HPKQIMLYFQDBEL-MRXNPFEDSA-N 1 0 399.564 3.613 20 30 GHEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542279496 875292314 /nfs/dbraw/zinc/29/23/14/875292314.db2.gz GTJZXHZSFKBDOB-GOSISDBHSA-N 1 0 378.394 3.643 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000776093299 875331747 /nfs/dbraw/zinc/33/17/47/875331747.db2.gz KZYKZBMSGBPWBN-LJQANCHMSA-N 1 0 377.488 3.827 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)CCCC1 ZINC000449900771 875614183 /nfs/dbraw/zinc/61/41/83/875614183.db2.gz KJTVADQIBZHADT-UHFFFAOYSA-N 1 0 384.524 3.977 20 30 GHEDRO O=C(NC12CC[NH+](CC1)C2)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000913636324 875670538 /nfs/dbraw/zinc/67/05/38/875670538.db2.gz BDEYCBQNVKSTEL-UHFFFAOYSA-N 1 0 384.295 3.554 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(OCC#N)cc1 ZINC000776170064 875688597 /nfs/dbraw/zinc/68/85/97/875688597.db2.gz IGBVQALLCWISBZ-HIFRSBDPSA-N 1 0 387.842 3.838 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000271850011 875708150 /nfs/dbraw/zinc/70/81/50/875708150.db2.gz IMGIWNVJEDMZLB-QGZVFWFLSA-N 1 0 388.515 3.758 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H](SCC)C2)c(OC)c1 ZINC000303499187 875711165 /nfs/dbraw/zinc/71/11/65/875711165.db2.gz YDGIVIPSMPBYDC-MOPGFXCFSA-N 1 0 379.566 3.771 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001272469004 875818022 /nfs/dbraw/zinc/81/80/22/875818022.db2.gz FRSXUPDVWOUHOH-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO COCc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1C#N ZINC000529209412 875832189 /nfs/dbraw/zinc/83/21/89/875832189.db2.gz GXHUPILXWKFRLF-UHFFFAOYSA-N 1 0 380.492 3.867 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1C#N ZINC000529213531 875840746 /nfs/dbraw/zinc/84/07/46/875840746.db2.gz ODAWOSLHFHTDKA-GOSISDBHSA-N 1 0 384.524 3.825 20 30 GHEDRO CCCCCCCCC[N@@H+]1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001201846287 875901290 /nfs/dbraw/zinc/90/12/90/875901290.db2.gz GDGLCHOKNUCUHV-QFIPXVFZSA-N 1 0 379.589 3.576 20 30 GHEDRO CCCCCCCCC[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2cccnc2)C1 ZINC001201847640 875902630 /nfs/dbraw/zinc/90/26/30/875902630.db2.gz XVICJGREAJRHCW-FDFHNCONSA-N 1 0 387.568 3.785 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCOC4(CCSCC4)C3)CC2)cc1 ZINC000271896468 875904088 /nfs/dbraw/zinc/90/40/88/875904088.db2.gz UGUNBQWPFAAYOY-NRFANRHFSA-N 1 0 385.577 3.557 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CCC(C)C)c2nnc(C)c3ccccc32)CC1 ZINC000772416813 875950410 /nfs/dbraw/zinc/95/04/10/875950410.db2.gz OZLTWMWLEKVUOQ-UHFFFAOYSA-N 1 0 378.520 3.663 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cnc(-c3ccco3)s2)c(-c2ccc(C#N)cc2)n1 ZINC001201955104 875954002 /nfs/dbraw/zinc/95/40/02/875954002.db2.gz YWBZJRHXOCXORS-UHFFFAOYSA-N 1 0 375.457 3.965 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](O)c3c(F)cccc3Cl)CC2)cc1 ZINC000271911528 875964296 /nfs/dbraw/zinc/96/42/96/875964296.db2.gz YAUCKOVPBYXXQM-FQEVSTJZSA-N 1 0 387.886 3.638 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)CC1 ZINC000176388025 875968269 /nfs/dbraw/zinc/96/82/69/875968269.db2.gz HRORJCABSKXSHX-OAQYLSRUSA-N 1 0 399.560 3.644 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC001202162797 876037917 /nfs/dbraw/zinc/03/79/17/876037917.db2.gz DBTBPUZTPBILLV-UHFFFAOYSA-N 1 0 396.457 3.529 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000491993390 876076430 /nfs/dbraw/zinc/07/64/30/876076430.db2.gz BYJRNYLLQUWUDY-NRFANRHFSA-N 1 0 378.495 3.530 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000450325021 876287905 /nfs/dbraw/zinc/28/79/05/876287905.db2.gz RZQACTOPYHBMSF-UHFFFAOYSA-N 1 0 378.314 3.515 20 30 GHEDRO COc1cccc(/C=N/CCCOC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000176414028 876346316 /nfs/dbraw/zinc/34/63/16/876346316.db2.gz FVTNVNOEBGDZKA-JJIBRWJFSA-N 1 0 382.504 3.891 20 30 GHEDRO C=CCC1(C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)CCCCC1 ZINC000450393994 876349739 /nfs/dbraw/zinc/34/97/39/876349739.db2.gz RWHIOOLYRLYPFT-BGYRXZFFSA-N 1 0 392.584 3.630 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000786150266 876478813 /nfs/dbraw/zinc/47/88/13/876478813.db2.gz OAPAUESOOAAGMA-UHFFFAOYSA-N 1 0 399.539 3.930 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000450477452 876491865 /nfs/dbraw/zinc/49/18/65/876491865.db2.gz BAGMGZRQSRAPQO-SIKLNZKXSA-N 1 0 378.516 3.821 20 30 GHEDRO CC(C)(C)SCCn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000850002621 876589774 /nfs/dbraw/zinc/58/97/74/876589774.db2.gz BNTGAOKHZGJNTN-UHFFFAOYSA-N 1 0 381.545 3.810 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000450764798 876859568 /nfs/dbraw/zinc/85/95/68/876859568.db2.gz QINFUKYHGRVNKH-MNEFBYGVSA-N 1 0 378.463 3.588 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000492460260 876901113 /nfs/dbraw/zinc/90/11/13/876901113.db2.gz IBORVJYRQTXYHG-UHFFFAOYSA-N 1 0 390.350 3.743 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000272067716 877198088 /nfs/dbraw/zinc/19/80/88/877198088.db2.gz TZCDXUWVYUPKAE-UHFFFAOYSA-N 1 0 392.459 3.743 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](c3ccncc3)C2)c1C ZINC000450998748 877206632 /nfs/dbraw/zinc/20/66/32/877206632.db2.gz MACKCAVVTJFVAN-NRFANRHFSA-N 1 0 376.504 3.825 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000174769609 877237326 /nfs/dbraw/zinc/23/73/26/877237326.db2.gz IVWJVOSOXSRDRS-UHFFFAOYSA-N 1 0 387.858 3.781 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000174769817 877238205 /nfs/dbraw/zinc/23/82/05/877238205.db2.gz IPEAMDJYEVMVGH-CYBMUJFWSA-N 1 0 390.475 3.953 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)C1 ZINC000174778929 877242091 /nfs/dbraw/zinc/24/20/91/877242091.db2.gz SXQROAUPVNLKNY-SCTDSRPQSA-N 1 0 388.581 3.539 20 30 GHEDRO Cc1cc(C[NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)ccc1C#N ZINC000443980714 877301389 /nfs/dbraw/zinc/30/13/89/877301389.db2.gz BCUCERRIDVMJSC-QGZVFWFLSA-N 1 0 378.394 3.706 20 30 GHEDRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+]CCC#N ZINC000787300549 877327847 /nfs/dbraw/zinc/32/78/47/877327847.db2.gz QLLMHRJEDFYPKH-CQSZACIVSA-N 1 0 385.489 3.812 20 30 GHEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1(C)C ZINC000610144666 877428067 /nfs/dbraw/zinc/42/80/67/877428067.db2.gz QFIUQDTUEVHFLM-ROUUACIJSA-N 1 0 377.916 3.722 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000610133128 877448188 /nfs/dbraw/zinc/44/81/88/877448188.db2.gz SHCUUFSTFAXHAC-SFHVURJKSA-N 1 0 380.444 3.554 20 30 GHEDRO C[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000610162773 877465896 /nfs/dbraw/zinc/46/58/96/877465896.db2.gz YDOLFZQUVJHQBD-DENIHFKCSA-N 1 0 387.487 3.549 20 30 GHEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000615238018 877495073 /nfs/dbraw/zinc/49/50/73/877495073.db2.gz CSHYQFWSSFJUKI-KRWDZBQOSA-N 1 0 399.535 3.582 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000530357523 877624972 /nfs/dbraw/zinc/62/49/72/877624972.db2.gz DMHOCCKZKGTJCB-WIYYLYMNSA-N 1 0 378.476 3.912 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1cccc(C)c1 ZINC000067952243 877696621 /nfs/dbraw/zinc/69/66/21/877696621.db2.gz YYXHUNDJERFFKV-UHFFFAOYSA-O 1 0 398.552 3.789 20 30 GHEDRO CCOCc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)ccc1OC ZINC000179561838 877721028 /nfs/dbraw/zinc/72/10/28/877721028.db2.gz KIVAFOVNRANPAF-UHFFFAOYSA-N 1 0 395.503 3.978 20 30 GHEDRO CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000788181404 877875310 /nfs/dbraw/zinc/87/53/10/877875310.db2.gz YFJKWXDBHQUYEL-NRFANRHFSA-N 1 0 375.472 3.806 20 30 GHEDRO C#CCC1(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC000788168381 877892553 /nfs/dbraw/zinc/89/25/53/877892553.db2.gz GUFJCSLUTOFJKS-UHFFFAOYSA-N 1 0 381.564 3.679 20 30 GHEDRO C#CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)CCCCC1 ZINC000788223109 877930312 /nfs/dbraw/zinc/93/03/12/877930312.db2.gz MZOUZUUNJYDIHW-OAQYLSRUSA-N 1 0 395.547 3.765 20 30 GHEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)CC2 ZINC000530518718 877970684 /nfs/dbraw/zinc/97/06/84/877970684.db2.gz QPFWZOUZFBTVMK-AFMYVXGZSA-N 1 0 393.487 3.938 20 30 GHEDRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1C#N ZINC000746743477 878007150 /nfs/dbraw/zinc/00/71/50/878007150.db2.gz YQHJZAGLONTFOG-UHFFFAOYSA-N 1 0 382.414 3.937 20 30 GHEDRO OC[C@H](N[NH+]=Cc1ccc(N2CCC(c3ccccc3)=N2)cc1)c1ccccc1 ZINC000788468367 878086128 /nfs/dbraw/zinc/08/61/28/878086128.db2.gz UNVHQNCQTJITDB-DEOSSOPVSA-N 1 0 384.483 3.958 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550812 878129347 /nfs/dbraw/zinc/12/93/47/878129347.db2.gz SBZIDJPGIMPAPQ-INIZCTEOSA-N 1 0 384.461 3.736 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](Cc3ccnc(C#N)c3)CC2)C1 ZINC000852295619 878206247 /nfs/dbraw/zinc/20/62/47/878206247.db2.gz BMXLKYKOPBMPMC-LJQANCHMSA-N 1 0 384.524 3.812 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](CO)C(C)C ZINC000451596444 878223749 /nfs/dbraw/zinc/22/37/49/878223749.db2.gz FXWCOENGRJIFDV-FXAWDEMLSA-N 1 0 391.581 3.706 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000530640430 878250387 /nfs/dbraw/zinc/25/03/87/878250387.db2.gz MNDAGHFYZMHZPJ-CQSZACIVSA-N 1 0 377.535 3.501 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000068310102 878287702 /nfs/dbraw/zinc/28/77/02/878287702.db2.gz PGQIXYOOLJHABN-ZWKOTPCHSA-N 1 0 381.442 3.817 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000451676063 878294037 /nfs/dbraw/zinc/29/40/37/878294037.db2.gz RQJKQAZCVBERKJ-KIHHCIJBSA-N 1 0 381.516 3.785 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000530711428 878322155 /nfs/dbraw/zinc/32/21/55/878322155.db2.gz CYXZLNRNQIWLII-UHFFFAOYSA-N 1 0 392.507 3.550 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCNC(=O)C2CCC2)c1 ZINC000530729179 878357448 /nfs/dbraw/zinc/35/74/48/878357448.db2.gz IRCNSLQIWGIOIH-UHFFFAOYSA-N 1 0 377.488 3.533 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn(-c2ccccc2C)c1C)C(C)C ZINC000493097377 878368071 /nfs/dbraw/zinc/36/80/71/878368071.db2.gz MSKIXHIGXVYTAP-QFIPXVFZSA-N 1 0 380.536 3.918 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000180036193 878415585 /nfs/dbraw/zinc/41/55/85/878415585.db2.gz MJQSYOKAGMZRTD-LLVKDONJSA-N 1 0 394.338 3.834 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc(-c4ccccn4)s3)C2)c(F)c1 ZINC000530764015 878448214 /nfs/dbraw/zinc/44/82/14/878448214.db2.gz PVTXZAGKTYIKGR-INIZCTEOSA-N 1 0 393.491 3.974 20 30 GHEDRO COc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC000746776094 878483052 /nfs/dbraw/zinc/48/30/52/878483052.db2.gz WWKJVFPXXKBJSU-UHFFFAOYSA-N 1 0 392.503 3.552 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451817075 878522539 /nfs/dbraw/zinc/52/25/39/878522539.db2.gz KQFRDGMTRDJREM-IBGZPJMESA-N 1 0 392.528 3.932 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460778577 878549915 /nfs/dbraw/zinc/54/99/15/878549915.db2.gz MPXILGHDZJQZHL-YLJYHZDGSA-N 1 0 385.531 3.751 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852733450 878564106 /nfs/dbraw/zinc/56/41/06/878564106.db2.gz ZJRDKRXXDIDPBF-UXHICEINSA-N 1 0 391.943 3.672 20 30 GHEDRO COC(=O)NC1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000852765296 878587246 /nfs/dbraw/zinc/58/72/46/878587246.db2.gz RIKJXJMFMTYMBW-UHFFFAOYSA-N 1 0 377.488 3.707 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000852805843 878613129 /nfs/dbraw/zinc/61/31/29/878613129.db2.gz AHTBBNPSRYTGJY-UHFFFAOYSA-N 1 0 384.426 3.820 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H](C1CCCCC1)C2 ZINC000852852787 878635391 /nfs/dbraw/zinc/63/53/91/878635391.db2.gz JAAXLEGMDIORGB-HSZRJFAPSA-N 1 0 380.532 3.532 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460941822 878862671 /nfs/dbraw/zinc/86/26/71/878862671.db2.gz UQKUQWYJMAGFQJ-LJQANCHMSA-N 1 0 395.551 3.519 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000538139938 878881693 /nfs/dbraw/zinc/88/16/93/878881693.db2.gz GAQRTPWSWGOCRM-INIZCTEOSA-N 1 0 399.466 3.830 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853211452 878892188 /nfs/dbraw/zinc/89/21/88/878892188.db2.gz VQKMGPXIGVXDGL-XIKOKIGWSA-N 1 0 392.377 3.589 20 30 GHEDRO C[NH+](C)C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cc(F)c(F)c(F)c1 ZINC000853213379 878896245 /nfs/dbraw/zinc/89/62/45/878896245.db2.gz IRHAHVOSAIRCJK-FCEWJHQRSA-N 1 0 388.389 3.925 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001183292812 912400090 /nfs/dbraw/zinc/40/00/90/912400090.db2.gz HJWRGGJZUOLJAH-GOTSBHOMSA-N 1 0 399.538 3.960 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176522 878982737 /nfs/dbraw/zinc/98/27/37/878982737.db2.gz TZBNCJUDOAUSNB-VQTJNVASSA-N 1 0 383.488 3.667 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000531146398 879234669 /nfs/dbraw/zinc/23/46/69/879234669.db2.gz GNBSIHOIAQGTDG-OALUTQOASA-N 1 0 375.516 3.895 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000188704640 879350291 /nfs/dbraw/zinc/35/02/91/879350291.db2.gz JYMCSAMEWFLPPM-ROUUACIJSA-N 1 0 387.528 3.644 20 30 GHEDRO C=CC[N@H+](Cc1cc(-n2ccnc2)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000542466448 879396326 /nfs/dbraw/zinc/39/63/26/879396326.db2.gz KERQPQCYQUBWJN-MRXNPFEDSA-N 1 0 391.504 3.659 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000461216889 879405521 /nfs/dbraw/zinc/40/55/21/879405521.db2.gz FSPHQBGDSIKOCQ-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000461239437 879454737 /nfs/dbraw/zinc/45/47/37/879454737.db2.gz IMZVICKPSUVGBZ-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152621084 879478183 /nfs/dbraw/zinc/47/81/83/879478183.db2.gz OPTXKCKOVLAAJQ-HXUWFJFHSA-N 1 0 387.524 3.703 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000493506106 879509854 /nfs/dbraw/zinc/50/98/54/879509854.db2.gz DBYOLCKYNZIONT-WIYYLYMNSA-N 1 0 375.472 3.825 20 30 GHEDRO CC1CCC2(CC1)OC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)O2 ZINC000181089596 879685685 /nfs/dbraw/zinc/68/56/85/879685685.db2.gz FMRMXONIGGOWNF-STDCAVTESA-N 1 0 394.519 3.875 20 30 GHEDRO N#CCc1ccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1 ZINC000533943733 879869632 /nfs/dbraw/zinc/86/96/32/879869632.db2.gz WPXBXOWBBSYZAZ-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2ccccc2n1CC#N ZINC000609168482 879965388 /nfs/dbraw/zinc/96/53/88/879965388.db2.gz UBPIQSFXWUXCPQ-UHFFFAOYSA-N 1 0 396.441 3.647 20 30 GHEDRO C=CCOC(=O)N1CCC(OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000790843852 880015406 /nfs/dbraw/zinc/01/54/06/880015406.db2.gz HZXVOSXZQZIKMD-UHFFFAOYSA-N 1 0 386.492 3.616 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000183677684 880134800 /nfs/dbraw/zinc/13/48/00/880134800.db2.gz AIRHAIRSPXPDTR-UHFFFAOYSA-N 1 0 377.460 3.859 20 30 GHEDRO CC(C)(CO)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000286100737 912569001 /nfs/dbraw/zinc/56/90/01/912569001.db2.gz MNEXEXQSPKKPIN-HSZRJFAPSA-N 1 0 377.532 3.919 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)cc(OC)c1O ZINC000113334795 880518225 /nfs/dbraw/zinc/51/82/25/880518225.db2.gz INWNVNORYUFRRA-IBGZPJMESA-N 1 0 381.394 3.669 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)c1C#N ZINC000286124313 912578377 /nfs/dbraw/zinc/57/83/77/912578377.db2.gz MJZVPNHIYFCXCU-XLIONFOSSA-N 1 0 386.540 3.561 20 30 GHEDRO Cc1cc(S[C@@H](C)C(=O)OCCC[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC000791587905 880552655 /nfs/dbraw/zinc/55/26/55/880552655.db2.gz JNPKGABEFOZKBP-HNNXBMFYSA-N 1 0 396.516 3.643 20 30 GHEDRO CCc1ccc(C[NH+]2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC001183527310 912585476 /nfs/dbraw/zinc/58/54/76/912585476.db2.gz UITGTLHXSATAOH-UHFFFAOYSA-N 1 0 399.542 3.839 20 30 GHEDRO C#CCC1(O)CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(C)cn32)CC1 ZINC001183500205 912595528 /nfs/dbraw/zinc/59/55/28/912595528.db2.gz QWVDZMHNJQQNKL-UHFFFAOYSA-N 1 0 377.463 3.799 20 30 GHEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000185830079 880704512 /nfs/dbraw/zinc/70/45/12/880704512.db2.gz RAWYMBGTXYKSKA-UKRRQHHQSA-N 1 0 399.354 3.673 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccccc2OCC#N)CC1 ZINC000791782831 880718709 /nfs/dbraw/zinc/71/87/09/880718709.db2.gz FAPIEWRPJOTFQL-UHFFFAOYSA-N 1 0 392.503 3.619 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000453320972 880792572 /nfs/dbraw/zinc/79/25/72/880792572.db2.gz GPKFSILAELRXGH-MRXNPFEDSA-N 1 0 394.494 3.971 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)CC1 ZINC000791950579 880831314 /nfs/dbraw/zinc/83/13/14/880831314.db2.gz XVLNYGRYEMFUST-UHFFFAOYSA-N 1 0 376.504 3.509 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000453416505 880882292 /nfs/dbraw/zinc/88/22/92/880882292.db2.gz WWRBLIYEUOTOIF-DYXWJJEUSA-N 1 0 395.551 3.662 20 30 GHEDRO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc(=O)n3c4ccccc4[nH]c3c1C#N)CC2 ZINC000776857657 880903158 /nfs/dbraw/zinc/90/31/58/880903158.db2.gz UOCHIZGFAVZIQQ-FQEVSTJZSA-N 1 0 382.467 3.899 20 30 GHEDRO C=CCn1c(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453441330 880903479 /nfs/dbraw/zinc/90/34/79/880903479.db2.gz OCGOKPFCTRNWDI-SFYKDHMMSA-N 1 0 395.551 3.589 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(N(C)C)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000792209305 881005453 /nfs/dbraw/zinc/00/54/53/881005453.db2.gz AYICICWJYAZJBT-UHFFFAOYSA-N 1 0 382.464 3.678 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000113970607 881018977 /nfs/dbraw/zinc/01/89/77/881018977.db2.gz XWGOZUJSXZMKST-CMKODMSKSA-N 1 0 386.540 3.535 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494225796 881274092 /nfs/dbraw/zinc/27/40/92/881274092.db2.gz CQYPSSWDCYGGEY-MJGOQNOKSA-N 1 0 375.806 3.551 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1F ZINC000556977456 881302192 /nfs/dbraw/zinc/30/21/92/881302192.db2.gz FESNTHUNBYYYNL-KRWDZBQOSA-N 1 0 380.423 3.848 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1OCC ZINC000188848609 881307752 /nfs/dbraw/zinc/30/77/52/881307752.db2.gz QQYKSGJTNSZILT-DZGCQCFKSA-N 1 0 384.314 3.663 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(C#N)c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494255534 881333429 /nfs/dbraw/zinc/33/34/29/881333429.db2.gz BLWAJPVFVGPJJI-APWZRJJASA-N 1 0 375.806 3.551 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000609385766 883130565 /nfs/dbraw/zinc/13/05/65/883130565.db2.gz DMUVMGIQQKRRDY-HZPDHXFCSA-N 1 0 388.581 3.536 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000183107071 883239100 /nfs/dbraw/zinc/23/91/00/883239100.db2.gz ATWNJVQOJTWTKZ-SJLPKXTDSA-N 1 0 381.451 3.967 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(OC3CCCC3)CC2)c(OC)c1 ZINC000195328789 883279834 /nfs/dbraw/zinc/27/98/34/883279834.db2.gz NENRVXVNJUGTEF-LJQANCHMSA-N 1 0 389.536 3.587 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000609516041 883286877 /nfs/dbraw/zinc/28/68/77/883286877.db2.gz AAQJBRTZCGDCGZ-UHFFFAOYSA-N 1 0 378.476 3.596 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609529988 883318936 /nfs/dbraw/zinc/31/89/36/883318936.db2.gz ASZBXJDXRXIBKK-RXVVDRJESA-N 1 0 382.552 3.544 20 30 GHEDRO CCC(CC)C(=O)N1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286328613 912695133 /nfs/dbraw/zinc/69/51/33/912695133.db2.gz XVGQLVHSWRZUQD-UHFFFAOYSA-N 1 0 382.552 3.544 20 30 GHEDRO C[NH+](C)C1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000193606850 883384118 /nfs/dbraw/zinc/38/41/18/883384118.db2.gz OIFMMKISEOXTOH-UHFFFAOYSA-N 1 0 392.503 3.890 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)c1 ZINC000858947226 883483337 /nfs/dbraw/zinc/48/33/37/883483337.db2.gz AZDOIWFMRKSQSQ-UHFFFAOYSA-N 1 0 377.488 3.949 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000078602552 883524179 /nfs/dbraw/zinc/52/41/79/883524179.db2.gz ICMAATUPEBMYGS-FQEVSTJZSA-N 1 0 387.524 3.591 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000804977084 883525990 /nfs/dbraw/zinc/52/59/90/883525990.db2.gz LSMBYCBTHSTLSI-UEVCKROQSA-N 1 0 375.516 3.756 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000609679714 883537143 /nfs/dbraw/zinc/53/71/43/883537143.db2.gz CQZSPQFLCKDNIA-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1F ZINC000805236025 883679887 /nfs/dbraw/zinc/67/98/87/883679887.db2.gz LILQAFSTRMPGMX-UFYCRDLUSA-N 1 0 385.870 3.898 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000859237746 883687496 /nfs/dbraw/zinc/68/74/96/883687496.db2.gz WDZYXSOPXUSLPC-CJNGLKHVSA-N 1 0 380.366 3.547 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000609878248 883767091 /nfs/dbraw/zinc/76/70/91/883767091.db2.gz UHOGZKBULDVBAZ-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000477166986 883827530 /nfs/dbraw/zinc/82/75/30/883827530.db2.gz RUOJGRNVNXHMTR-JOCHJYFZSA-N 1 0 381.516 3.836 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000551416252 883832927 /nfs/dbraw/zinc/83/29/27/883832927.db2.gz HQTRWJXSUQZBKU-QFIPXVFZSA-N 1 0 381.545 3.772 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000551424133 883850302 /nfs/dbraw/zinc/85/03/02/883850302.db2.gz AUICJDWNIRCLHH-ROUUACIJSA-N 1 0 387.549 3.861 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000551424131 883851296 /nfs/dbraw/zinc/85/12/96/883851296.db2.gz AUICJDWNIRCLHH-MSOLQXFVSA-N 1 0 387.549 3.861 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(CC#N)cc3)CC2)cc1 ZINC000063389978 883987528 /nfs/dbraw/zinc/98/75/28/883987528.db2.gz PFFMQZBUUJQVRF-UHFFFAOYSA-N 1 0 392.503 3.795 20 30 GHEDRO C=C(C)[C@@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccc(F)c(F)c1 ZINC000556179024 884026518 /nfs/dbraw/zinc/02/65/18/884026518.db2.gz MWLSJKLGCZARQA-VQTJNVASSA-N 1 0 392.471 3.897 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000610355164 884112264 /nfs/dbraw/zinc/11/22/64/884112264.db2.gz JFTPZOPGHXJSCK-GOSISDBHSA-N 1 0 392.503 3.545 20 30 GHEDRO N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000805855879 884150614 /nfs/dbraw/zinc/15/06/14/884150614.db2.gz OKANNPOCXVPOAG-INIZCTEOSA-N 1 0 380.275 3.515 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000556295118 884360019 /nfs/dbraw/zinc/36/00/19/884360019.db2.gz BZCJMIMYADQUCQ-GFCCVEGCSA-N 1 0 382.407 3.831 20 30 GHEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC000666249458 884399954 /nfs/dbraw/zinc/39/99/54/884399954.db2.gz DKUZBJKHHUZURJ-JOCHJYFZSA-N 1 0 391.515 3.661 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)ccc1OC ZINC000806147528 884406399 /nfs/dbraw/zinc/40/63/99/884406399.db2.gz XXHHMNIWANNJDG-UZLBHIALSA-N 1 0 391.475 3.808 20 30 GHEDRO C#CCNC(=O)c1cccc(-c2noc(-c3ccc(C[NH+](CC)CC)cc3)n2)c1 ZINC000761800559 884439454 /nfs/dbraw/zinc/43/94/54/884439454.db2.gz UISCIVUHVHEJLE-UHFFFAOYSA-N 1 0 388.471 3.608 20 30 GHEDRO CCN(C(=O)CNc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000495059388 884463909 /nfs/dbraw/zinc/46/39/09/884463909.db2.gz NGBXAYFTCQMHGU-XMSQKQJNSA-N 1 0 376.504 3.654 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)cc4ccoc43)CC2)c1 ZINC001130563032 884501751 /nfs/dbraw/zinc/50/17/51/884501751.db2.gz FHBSHPTZLRSRMM-UHFFFAOYSA-N 1 0 377.419 3.838 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000610445681 884590567 /nfs/dbraw/zinc/59/05/67/884590567.db2.gz DDENJJWYHIHJRN-GOSISDBHSA-N 1 0 379.529 3.773 20 30 GHEDRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2CCCCN2Cc2ccccc2C#N)CC1 ZINC001183839110 912843174 /nfs/dbraw/zinc/84/31/74/912843174.db2.gz HIGZOVIGEBXXHG-XPWALMASSA-N 1 0 396.579 3.682 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455869856 884619769 /nfs/dbraw/zinc/61/97/69/884619769.db2.gz WPWPGWOFZSLWEV-OAQYLSRUSA-N 1 0 383.492 3.931 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](C)c1ccccc1 ZINC000542541853 884731492 /nfs/dbraw/zinc/73/14/92/884731492.db2.gz IALAYNOKWDMDMD-DLBZAZTESA-N 1 0 388.433 3.955 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000533053870 884732541 /nfs/dbraw/zinc/73/25/41/884732541.db2.gz LZHMRXWWVXPPFU-VSKRKVRLSA-N 1 0 396.579 3.887 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H]1C ZINC000498551628 884810642 /nfs/dbraw/zinc/81/06/42/884810642.db2.gz XWQQERWRHPPINN-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H](c3c(F)cccc3Cl)N3CCCC3)n2c1 ZINC000237758642 884858958 /nfs/dbraw/zinc/85/89/58/884858958.db2.gz MULYZPDRTFEFBS-IBGZPJMESA-N 1 0 397.885 3.925 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001183887233 912874263 /nfs/dbraw/zinc/87/42/63/912874263.db2.gz RDVRQZFIYMSYGJ-UHFFFAOYSA-N 1 0 384.483 3.559 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccccc3OCC#N)cc2F)CC1 ZINC000170849657 884951634 /nfs/dbraw/zinc/95/16/34/884951634.db2.gz LKGPNPSLYRTHNM-UHFFFAOYSA-N 1 0 396.466 3.511 20 30 GHEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460372511 885119697 /nfs/dbraw/zinc/11/96/97/885119697.db2.gz FAMZQOWJCQYGIK-GOSISDBHSA-N 1 0 377.492 3.940 20 30 GHEDRO N#Cc1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1Br ZINC000487886996 885283930 /nfs/dbraw/zinc/28/39/30/885283930.db2.gz XFUXJIGMXAASGN-UHFFFAOYSA-N 1 0 379.302 3.755 20 30 GHEDRO COc1cc(NC(=O)NCCCCCCC[NH+]2CCCC2)c(F)cc1C#N ZINC000861265914 885356628 /nfs/dbraw/zinc/35/66/28/885356628.db2.gz NNRQJCKOXPNYIZ-UHFFFAOYSA-N 1 0 376.476 3.874 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000807467472 885463639 /nfs/dbraw/zinc/46/36/39/885463639.db2.gz RGMKAEILOFTAJT-GOTSBHOMSA-N 1 0 375.516 3.537 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000807467473 885463980 /nfs/dbraw/zinc/46/39/80/885463980.db2.gz RGMKAEILOFTAJT-PKTZIBPZSA-N 1 0 375.516 3.537 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000807470293 885465335 /nfs/dbraw/zinc/46/53/35/885465335.db2.gz QCSGVEZQQMZFLC-XUZZJYLKSA-N 1 0 389.543 3.927 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)c1 ZINC000104713573 885577745 /nfs/dbraw/zinc/57/77/45/885577745.db2.gz QTNMEHUWFRDHHY-UHFFFAOYSA-N 1 0 397.906 3.761 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000610976983 885622019 /nfs/dbraw/zinc/62/20/19/885622019.db2.gz OXRAUFSELLPEDB-KRWDZBQOSA-N 1 0 387.487 3.515 20 30 GHEDRO NC(=[NH+]OCc1ncccc1C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000762210405 885705336 /nfs/dbraw/zinc/70/53/36/885705336.db2.gz QWQKXMUTYOIESW-UHFFFAOYSA-N 1 0 378.398 3.928 20 30 GHEDRO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3cccc(CC#N)c3)cc2)CC1 ZINC000454039988 885822657 /nfs/dbraw/zinc/82/26/57/885822657.db2.gz QDJLISFDUIPYRS-UHFFFAOYSA-N 1 0 390.487 3.562 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)Nc3cccc(CC#N)c3)cc2)C1 ZINC000454041241 885824538 /nfs/dbraw/zinc/82/45/38/885824538.db2.gz RCRFMKSRVSOOIP-KRWDZBQOSA-N 1 0 390.487 3.562 20 30 GHEDRO C=CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1F ZINC000532493714 885860278 /nfs/dbraw/zinc/86/02/78/885860278.db2.gz SEBBAYYJKXXWOC-UHFFFAOYSA-N 1 0 385.395 3.720 20 30 GHEDRO C#CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000808058761 885960631 /nfs/dbraw/zinc/96/06/31/885960631.db2.gz VTSBYHCNJASTSX-SFHVURJKSA-N 1 0 382.529 3.663 20 30 GHEDRO C#CCC[NH+]1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000762298449 885980522 /nfs/dbraw/zinc/98/05/22/885980522.db2.gz LRSIPEVOANZHBU-UHFFFAOYSA-N 1 0 379.451 3.970 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCc1ccc(F)cc1 ZINC000055024716 885984050 /nfs/dbraw/zinc/98/40/50/885984050.db2.gz MBKFBAXHMKMKRP-QGZVFWFLSA-N 1 0 383.467 3.644 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@@H](CC)C2)c1=S ZINC000915208515 886031143 /nfs/dbraw/zinc/03/11/43/886031143.db2.gz FEZVYPNITJGNKF-GOSISDBHSA-N 1 0 377.602 3.708 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001168208171 886040325 /nfs/dbraw/zinc/04/03/25/886040325.db2.gz KJFSLIBFZSKGOP-CVDCTZTESA-N 1 0 375.516 3.837 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3C[C@H](C)S[C@@H](C)C3)sc2C1 ZINC000532580018 886168926 /nfs/dbraw/zinc/16/89/26/886168926.db2.gz OTLWTGFVBUSBMT-RDBSUJKOSA-N 1 0 377.579 3.899 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3C[C@@H](C)S[C@H](C)C3)sc2C1 ZINC000532580009 886169417 /nfs/dbraw/zinc/16/94/17/886169417.db2.gz OTLWTGFVBUSBMT-MGPQQGTHSA-N 1 0 377.579 3.899 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000056170877 886183444 /nfs/dbraw/zinc/18/34/44/886183444.db2.gz QMVLYEBHZZNDCF-IBGZPJMESA-N 1 0 398.551 3.502 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1nc2c(s1)CCC2 ZINC000556816801 886221787 /nfs/dbraw/zinc/22/17/87/886221787.db2.gz QDRVVMXAHKPGBF-LLVKDONJSA-N 1 0 386.546 3.733 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1OC ZINC000862244249 886244869 /nfs/dbraw/zinc/24/48/69/886244869.db2.gz KRLITGDGOBJISY-UHFFFAOYSA-N 1 0 381.900 3.888 20 30 GHEDRO COC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001170552857 886359824 /nfs/dbraw/zinc/35/98/24/886359824.db2.gz DRJBEQCCZDOHKN-PBHICJAKSA-N 1 0 391.309 3.648 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000119053252 886393954 /nfs/dbraw/zinc/39/39/54/886393954.db2.gz CONWLHUIWGZEPG-LJQANCHMSA-N 1 0 377.916 3.543 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1OCCCC#N ZINC000762612103 886515337 /nfs/dbraw/zinc/51/53/37/886515337.db2.gz FOKRDBXHFMIXMV-AYOQOUSVSA-N 1 0 378.563 3.847 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000919847572 886525249 /nfs/dbraw/zinc/52/52/49/886525249.db2.gz OMTPWUZAEYABFE-JOCHJYFZSA-N 1 0 393.531 3.870 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H]1c1ccccc1 ZINC000487968481 886586664 /nfs/dbraw/zinc/58/66/64/886586664.db2.gz MVYTWHDBLSWFTF-ROUUACIJSA-N 1 0 399.292 3.888 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)C[NH+]1CCCCC1 ZINC000487970541 886626536 /nfs/dbraw/zinc/62/65/36/886626536.db2.gz SXWPUMLQSXOAAB-CYBMUJFWSA-N 1 0 379.302 3.564 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670195630 886683898 /nfs/dbraw/zinc/68/38/98/886683898.db2.gz TXTLZSRFUWXLFY-GOSISDBHSA-N 1 0 399.514 3.637 20 30 GHEDRO C[NH+](C)CCOc1ccc(CNc2ncc(Cc3ccc(C#N)cc3)s2)cc1 ZINC000612625459 886698363 /nfs/dbraw/zinc/69/83/63/886698363.db2.gz PEABFHSNJSDWCW-UHFFFAOYSA-N 1 0 392.528 3.580 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccccc2)C2CCCCC2)nc1 ZINC000808741588 886757296 /nfs/dbraw/zinc/75/72/96/886757296.db2.gz JOTPFISVDCWXHL-OAQYLSRUSA-N 1 0 383.517 3.638 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000863069326 886867616 /nfs/dbraw/zinc/86/76/16/886867616.db2.gz VRBIQPQACJEPNW-UHFFFAOYSA-N 1 0 380.508 3.536 20 30 GHEDRO COCO[C@@H](C)c1cc(F)c(C=NNc2cc[nH+]cc2C)cc1Br ZINC000863157645 886895501 /nfs/dbraw/zinc/89/55/01/886895501.db2.gz DMGJAWWZFBTHHG-LBPRGKRZSA-N 1 0 396.260 3.841 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(O)CCCCC2)cc1OC ZINC000237133028 886913417 /nfs/dbraw/zinc/91/34/17/886913417.db2.gz ZHBAKDRDSIDZLK-UHFFFAOYSA-N 1 0 384.314 3.807 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193588273 886915549 /nfs/dbraw/zinc/91/55/49/886915549.db2.gz UVYWEVNNBYLKHL-OALUTQOASA-N 1 0 379.508 3.541 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000670206741 887039148 /nfs/dbraw/zinc/03/91/48/887039148.db2.gz LZZMCQYKVFEEIV-OAQYLSRUSA-N 1 0 381.568 3.808 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000111834674 887125893 /nfs/dbraw/zinc/12/58/93/887125893.db2.gz BXLZCKKZOVDBOT-UHFFFAOYSA-N 1 0 398.551 3.810 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487989341 887186729 /nfs/dbraw/zinc/18/67/29/887186729.db2.gz DOOWBGXNGGESCZ-UHFFFAOYSA-N 1 0 379.302 3.564 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000863554802 887208584 /nfs/dbraw/zinc/20/85/84/887208584.db2.gz IPGNRZIKSYXCKD-BBRMVZONSA-N 1 0 393.270 3.718 20 30 GHEDRO CCc1ccc([C@@H](C#N)NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000809258695 887237078 /nfs/dbraw/zinc/23/70/78/887237078.db2.gz DNOIYYVOVCYPBK-UBLKFNIESA-N 1 0 377.488 3.584 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC000487997913 887269963 /nfs/dbraw/zinc/26/99/63/887269963.db2.gz XAIDFWDLYXPZGW-STQMWFEESA-N 1 0 379.302 3.705 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670222042 887316204 /nfs/dbraw/zinc/31/62/04/887316204.db2.gz WUJVKLBGGMOGJA-HNNXBMFYSA-N 1 0 389.931 3.714 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168262759 887367245 /nfs/dbraw/zinc/36/72/45/887367245.db2.gz LBMNBQLVUNVVDU-FQEVSTJZSA-N 1 0 384.520 3.663 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NCc3cc(C#N)ccc3N(C)C)cc2)C1 ZINC000864023846 887522782 /nfs/dbraw/zinc/52/27/82/887522782.db2.gz QKDVFARVEUMYIH-SFHVURJKSA-N 1 0 378.520 3.957 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCOC[C@H]2CCOC2)cc1 ZINC000119932796 887655026 /nfs/dbraw/zinc/65/50/26/887655026.db2.gz NQFHIVAQFIXQPX-OAQYLSRUSA-N 1 0 381.520 3.996 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1C ZINC000810009308 888076300 /nfs/dbraw/zinc/07/63/00/888076300.db2.gz WLOIHVVENGBOTM-VWNXMTODSA-N 1 0 390.531 3.585 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128650 888194840 /nfs/dbraw/zinc/19/48/40/888194840.db2.gz IOISQZYJQXCSFX-MSOLQXFVSA-N 1 0 396.535 3.585 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC001132088542 888218565 /nfs/dbraw/zinc/21/85/65/888218565.db2.gz YNPANASUPJYBET-GCJKJVERSA-N 1 0 393.556 3.676 20 30 GHEDRO N#Cc1ccc([C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000763227090 888372956 /nfs/dbraw/zinc/37/29/56/888372956.db2.gz UWJDMLVMVANXCC-RUZDIDTESA-N 1 0 397.522 3.999 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000763232104 888377612 /nfs/dbraw/zinc/37/76/12/888377612.db2.gz QKZHUYLMBXWIBV-VQTJNVASSA-N 1 0 387.886 3.811 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122805858 888398873 /nfs/dbraw/zinc/39/88/73/888398873.db2.gz JVWKGJFDMJSEBS-UHFFFAOYSA-N 1 0 385.515 3.760 20 30 GHEDRO CCCOc1c(Br)cc(C=NNCC[NH+]2CCCCC2)cc1OC ZINC000915974999 888592968 /nfs/dbraw/zinc/59/29/68/888592968.db2.gz YYFSLTYZFIOAID-UHFFFAOYSA-N 1 0 398.345 3.656 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CSCc1ccc(C#N)cc1 ZINC000496290021 888701541 /nfs/dbraw/zinc/70/15/41/888701541.db2.gz IKPPSTZFJIDSTQ-UHFFFAOYSA-N 1 0 385.508 3.521 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475930876 888721789 /nfs/dbraw/zinc/72/17/89/888721789.db2.gz AQFUJEPBCLRFBC-XZOQPEGZSA-N 1 0 390.531 3.982 20 30 GHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000245515111 888833002 /nfs/dbraw/zinc/83/30/02/888833002.db2.gz GTVZSRHUQVKOEI-MJGOQNOKSA-N 1 0 378.476 3.532 20 30 GHEDRO CCOc1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000916307126 888909406 /nfs/dbraw/zinc/90/94/06/888909406.db2.gz RXUONLXWPKEIFY-UHFFFAOYSA-N 1 0 396.560 3.548 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc3ccccc31)C2 ZINC000866615699 888969247 /nfs/dbraw/zinc/96/92/47/888969247.db2.gz ILXMGZWJJCGQOI-AZUAARDMSA-N 1 0 399.416 3.651 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000867725986 889142231 /nfs/dbraw/zinc/14/22/31/889142231.db2.gz FYMBJAQLQPEFRK-SFHVURJKSA-N 1 0 389.540 3.932 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(O)c(OC)c1 ZINC000016876585 889226587 /nfs/dbraw/zinc/22/65/87/889226587.db2.gz GGHNSWFJIOOMSJ-UHFFFAOYSA-N 1 0 394.515 3.658 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1F ZINC000532930607 889306480 /nfs/dbraw/zinc/30/64/80/889306480.db2.gz DJYQNQNSLUQCSL-UHFFFAOYSA-N 1 0 387.411 3.759 20 30 GHEDRO CCCCCCCCNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000774765617 913326173 /nfs/dbraw/zinc/32/61/73/913326173.db2.gz ARYFUWRMCFDPLO-UHFFFAOYSA-N 1 0 379.589 3.622 20 30 GHEDRO CC(C)C[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(C#N)cc1 ZINC000532933573 889371647 /nfs/dbraw/zinc/37/16/47/889371647.db2.gz IJIUYCYBTHLOTF-UHFFFAOYSA-N 1 0 381.524 3.686 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)c1 ZINC000868253860 889371562 /nfs/dbraw/zinc/37/15/62/889371562.db2.gz RARCXBGYZMHDCZ-HXUWFJFHSA-N 1 0 398.551 3.918 20 30 GHEDRO COc1cc(CN2CCC(C#N)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000123774228 889394088 /nfs/dbraw/zinc/39/40/88/889394088.db2.gz WVDYMIZCQLDTTR-UHFFFAOYSA-N 1 0 381.432 3.918 20 30 GHEDRO CO[C@@H](C)C[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C(C)C ZINC000532972040 889478683 /nfs/dbraw/zinc/47/86/83/889478683.db2.gz LJPCUITZJRUZHU-KRWDZBQOSA-N 1 0 396.535 3.709 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2ccc(C#N)cc2Br)C1 ZINC000811443379 889596406 /nfs/dbraw/zinc/59/64/06/889596406.db2.gz IUMYUVZPQFYMEA-QGZVFWFLSA-N 1 0 383.261 3.576 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3nccc(C)n3)cc2)CC1 ZINC000125118615 889880228 /nfs/dbraw/zinc/88/02/28/889880228.db2.gz PEYGDPSORGMTLP-UHFFFAOYSA-N 1 0 381.480 3.739 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCN(c3ccccc3)CC1)CCC2 ZINC000533246160 890129287 /nfs/dbraw/zinc/12/92/87/890129287.db2.gz AQLYMHOGAQKDEB-UHFFFAOYSA-N 1 0 394.544 3.649 20 30 GHEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000497190095 890282814 /nfs/dbraw/zinc/28/28/14/890282814.db2.gz CHCLYUWZCFSFPU-IBGZPJMESA-N 1 0 396.491 3.565 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000841762520 890297953 /nfs/dbraw/zinc/29/79/53/890297953.db2.gz PTFJNAKBZLHAGE-ZEWNOJEFSA-N 1 0 399.535 3.844 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000780441361 913445618 /nfs/dbraw/zinc/44/56/18/913445618.db2.gz PVOXADOBPQZVGX-CYBMUJFWSA-N 1 0 378.444 3.979 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000533416738 890502151 /nfs/dbraw/zinc/50/21/51/890502151.db2.gz PSCOWDACEBWYPY-CQSZACIVSA-N 1 0 386.293 3.822 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533430094 890544525 /nfs/dbraw/zinc/54/45/25/890544525.db2.gz JCUMPKSXXNDBAD-QGTPRVQTSA-N 1 0 375.538 3.701 20 30 GHEDRO COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000916949715 890622524 /nfs/dbraw/zinc/62/25/24/890622524.db2.gz GDULQDZEAZHTTM-OAQYLSRUSA-N 1 0 391.471 3.642 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000871099214 890643588 /nfs/dbraw/zinc/64/35/88/890643588.db2.gz QIFGUVCRPRSJKP-UYAOXDASSA-N 1 0 388.519 3.600 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000812762001 890912320 /nfs/dbraw/zinc/91/23/20/890912320.db2.gz REVRXSNINZLVGY-HTAPYJJXSA-N 1 0 385.508 3.953 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000066389296 890928198 /nfs/dbraw/zinc/92/81/98/890928198.db2.gz SHKFDVXLUMXGDZ-QGZVFWFLSA-N 1 0 376.928 3.567 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170685455 890937728 /nfs/dbraw/zinc/93/77/28/890937728.db2.gz NIEZMJGDMOSWOO-QGZVFWFLSA-N 1 0 376.447 3.543 20 30 GHEDRO CC[C@@H](C#N)Sc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000127204380 890950832 /nfs/dbraw/zinc/95/08/32/890950832.db2.gz BDAOMULENNHRIN-ZDUSSCGKSA-N 1 0 390.578 3.683 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000812863855 891080268 /nfs/dbraw/zinc/08/02/68/891080268.db2.gz MNFFCYRWHCQXGP-HSZRJFAPSA-N 1 0 380.488 3.781 20 30 GHEDRO C=C(CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000497346757 891086761 /nfs/dbraw/zinc/08/67/61/891086761.db2.gz HKALVHRWQBXHTQ-FQEVSTJZSA-N 1 0 393.531 3.899 20 30 GHEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000497345742 891103742 /nfs/dbraw/zinc/10/37/42/891103742.db2.gz IDHLLPRJDMMJIY-LJQANCHMSA-N 1 0 396.491 3.565 20 30 GHEDRO C#C[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000812935411 891143483 /nfs/dbraw/zinc/14/34/83/891143483.db2.gz CEBHZAQQMQTMLU-QFIPXVFZSA-N 1 0 394.494 3.843 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000812937391 891146075 /nfs/dbraw/zinc/14/60/75/891146075.db2.gz ZIPXETXFQPNDLC-AVRDEDQJSA-N 1 0 379.479 3.806 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)C(C)(C)Cc3ccc(C#N)cc3)CCCC2)CC1 ZINC000455552476 891194872 /nfs/dbraw/zinc/19/48/72/891194872.db2.gz LDWLWAZBTRIQGJ-UHFFFAOYSA-N 1 0 397.563 3.667 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872277513 891224898 /nfs/dbraw/zinc/22/48/98/891224898.db2.gz YFWSAHYYKSXFNG-JOCHJYFZSA-N 1 0 399.535 3.756 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN(C)[C@@H]2CCC[C@@H]2C#N)c1=S ZINC000872681961 891302394 /nfs/dbraw/zinc/30/23/94/891302394.db2.gz LSKDDEKBJQMMFJ-IXDOHACOSA-N 1 0 378.590 3.808 20 30 GHEDRO C[C@H](CO)[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CCCC1 ZINC000287803892 913545035 /nfs/dbraw/zinc/54/50/35/913545035.db2.gz OPWBQTWTPCREHK-CVEARBPZSA-N 1 0 375.538 3.645 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000124264563 891336998 /nfs/dbraw/zinc/33/69/98/891336998.db2.gz UDKRLSQBOUNWKJ-IBGZPJMESA-N 1 0 376.460 3.592 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873310128 891575146 /nfs/dbraw/zinc/57/51/46/891575146.db2.gz NMJHFJDHLQMMFT-FRRDWIJNSA-N 1 0 386.443 3.539 20 30 GHEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 ZINC000873310274 891575407 /nfs/dbraw/zinc/57/54/07/891575407.db2.gz JWMWMTLHFNEKSO-YCRPNKLZSA-N 1 0 380.423 3.563 20 30 GHEDRO N#CC1(COC(=O)Cc2ccc(Cl)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000873544877 891678728 /nfs/dbraw/zinc/67/87/28/891678728.db2.gz NDTQCTOAPXNTSN-UHFFFAOYSA-N 1 0 383.879 3.627 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(Cl)cccc3OC(F)(F)F)C2)C1=O ZINC001275372772 913599768 /nfs/dbraw/zinc/59/97/68/913599768.db2.gz NKSKXWCSVONXIM-KRWDZBQOSA-N 1 0 388.817 3.849 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3ccc(Br)cn3)CC2)C1=O ZINC001275376272 913611626 /nfs/dbraw/zinc/61/16/26/913611626.db2.gz CKFQLPYGNVKWPA-IBGZPJMESA-N 1 0 392.341 3.625 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cc1 ZINC000813787931 891975933 /nfs/dbraw/zinc/97/59/33/891975933.db2.gz RAFSCMXLWMXGOK-ROUUACIJSA-N 1 0 376.472 3.526 20 30 GHEDRO CC[C@H](/[NH+]=C\c1ccc(N(CC)CC)cc1O)c1ccccc1OCC(=O)NC ZINC000917559286 892168755 /nfs/dbraw/zinc/16/87/55/892168755.db2.gz KDAJRWQXIQCYAK-FXONECCMSA-N 1 0 397.519 3.933 20 30 GHEDRO C#CCN(C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC001134044672 892208282 /nfs/dbraw/zinc/20/82/82/892208282.db2.gz ZPVFWZUDQKRMHL-UHFFFAOYSA-N 1 0 398.510 3.709 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3CCCCN3[C@H]3CC[NH2+]C3)n2)cc1Cl ZINC001212103483 892277670 /nfs/dbraw/zinc/27/76/70/892277670.db2.gz WUVSXIAOXTXIPP-LRDDRELGSA-N 1 0 392.290 3.804 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000154496274 892422805 /nfs/dbraw/zinc/42/28/05/892422805.db2.gz LHTRDBSKEFISKE-XLIONFOSSA-N 1 0 396.984 3.676 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000192491269 892587987 /nfs/dbraw/zinc/58/79/87/892587987.db2.gz RZLBXIZMBQYTTK-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509688627 892757944 /nfs/dbraw/zinc/75/79/44/892757944.db2.gz NMESJXSFWZTKMI-JWQCQUIFSA-N 1 0 388.559 3.970 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273594635 892950377 /nfs/dbraw/zinc/95/03/77/892950377.db2.gz MFJAPUXSMAFOHK-RTWAWAEBSA-N 1 0 389.515 3.728 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000933246813 892975188 /nfs/dbraw/zinc/97/51/88/892975188.db2.gz DEMBXDQPAUAZSJ-QZTJIDSGSA-N 1 0 388.581 3.539 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC001137100762 892993909 /nfs/dbraw/zinc/99/39/09/892993909.db2.gz MDJDFNDGGJKKNL-UHFFFAOYSA-N 1 0 388.471 3.796 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C1 ZINC000455696260 893003861 /nfs/dbraw/zinc/00/38/61/893003861.db2.gz BVNHCMHLOMKYNI-MAUKXSAKSA-N 1 0 392.931 3.665 20 30 GHEDRO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814676536 893053879 /nfs/dbraw/zinc/05/38/79/893053879.db2.gz SPEMJPNCBYXXHX-HDICACEKSA-N 1 0 385.508 3.646 20 30 GHEDRO COC1CCN(c2ccc(CN3CCO[C@H](c4ccc(C#N)cc4)C3)cc2)CC1 ZINC000933630603 893110513 /nfs/dbraw/zinc/11/05/13/893110513.db2.gz UXZFUSRTBVCEQO-DEOSSOPVSA-N 1 0 391.515 3.747 20 30 GHEDRO N#CC1(NC(=O)C2(CC3CCC3)CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001185217093 913734972 /nfs/dbraw/zinc/73/49/72/913734972.db2.gz POWVICIAWDUZJW-UHFFFAOYSA-N 1 0 395.547 3.648 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1Br)N(C)Cc1cc(C#N)cs1 ZINC000933779309 893212676 /nfs/dbraw/zinc/21/26/76/893212676.db2.gz XKDZPHNKCNFARM-NSHDSACASA-N 1 0 378.295 3.841 20 30 GHEDRO CC(N=Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C1CC[NH+](C)CC1 ZINC000814850457 893237818 /nfs/dbraw/zinc/23/78/18/893237818.db2.gz OCHNESDYQFTQSG-UHFFFAOYSA-N 1 0 378.402 3.687 20 30 GHEDRO C=CCC[C@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428689302 893243010 /nfs/dbraw/zinc/24/30/10/893243010.db2.gz HUDPBVLEXNTSNB-UKILVPOCSA-N 1 0 392.543 3.832 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000069293723 893243986 /nfs/dbraw/zinc/24/39/86/893243986.db2.gz OFLBCTGUBMKHBY-QGZVFWFLSA-N 1 0 394.519 3.853 20 30 GHEDRO C=CCC[C@@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428689300 893243901 /nfs/dbraw/zinc/24/39/01/893243901.db2.gz HUDPBVLEXNTSNB-ILBGXUMGSA-N 1 0 392.543 3.832 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001170769010 893247076 /nfs/dbraw/zinc/24/70/76/893247076.db2.gz JYEWMSIJFFIESA-LJQANCHMSA-N 1 0 378.394 3.759 20 30 GHEDRO N#Cc1ncc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1Cl ZINC000455773706 893258403 /nfs/dbraw/zinc/25/84/03/893258403.db2.gz BTQFYUMTPPIJMU-ZNXRZULTSA-N 1 0 395.894 3.924 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000876689520 893290678 /nfs/dbraw/zinc/29/06/78/893290678.db2.gz FFSBUWNNGDIZON-ZDUSSCGKSA-N 1 0 389.830 3.915 20 30 GHEDRO N#Cc1ncc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000455776270 893295565 /nfs/dbraw/zinc/29/55/65/893295565.db2.gz DWORHCNFLRWDDK-UHFFFAOYSA-N 1 0 383.883 3.640 20 30 GHEDRO CCC[N@H+](Cc1cc(C#N)cnc1Cl)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000876740720 893308349 /nfs/dbraw/zinc/30/83/49/893308349.db2.gz ULFXIXZAKHMXGL-UHFFFAOYSA-N 1 0 398.942 3.895 20 30 GHEDRO N#CCOc1ccccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001134822030 893329618 /nfs/dbraw/zinc/32/96/18/893329618.db2.gz ZSACENDVITYOQH-QHAWAJNXSA-N 1 0 389.499 3.619 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876797077 893331766 /nfs/dbraw/zinc/33/17/66/893331766.db2.gz MFNWAZJPMAQBDE-ZEQRLZLVSA-N 1 0 375.516 3.919 20 30 GHEDRO C[C@H]1CC[C@H]([N@H+](CCO)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000429767463 893335875 /nfs/dbraw/zinc/33/58/75/893335875.db2.gz DXPIXKVQSXEONY-HOTGVXAUSA-N 1 0 389.565 3.700 20 30 GHEDRO N#Cc1ncc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1Cl ZINC000455796601 893345465 /nfs/dbraw/zinc/34/54/65/893345465.db2.gz VATZMLKRIBCUTQ-UHFFFAOYSA-N 1 0 375.904 3.727 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNCc3cc(C#N)cnc3Cl)cc2)C[C@H](C)O1 ZINC000876915838 893387062 /nfs/dbraw/zinc/38/70/62/893387062.db2.gz DDRRBOLYLONHGR-HOTGVXAUSA-N 1 0 384.911 3.506 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C4(C#N)CCC4)cc3)CC2)c1 ZINC000129434898 893409878 /nfs/dbraw/zinc/40/98/78/893409878.db2.gz RDCNHEGIDIEWTH-UHFFFAOYSA-N 1 0 388.515 3.950 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(C)C ZINC000498150823 893416763 /nfs/dbraw/zinc/41/67/63/893416763.db2.gz ZSHAQKRCFAHLIT-IBGZPJMESA-N 1 0 382.464 3.571 20 30 GHEDRO C=CC[N@@H+](Cc1cnc(N(CC)CC)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675434 893512142 /nfs/dbraw/zinc/51/21/42/893512142.db2.gz MZSWTXBAWDWLJE-INIZCTEOSA-N 1 0 397.552 3.714 20 30 GHEDRO C=CC[N@H+](Cc1cnc(C)n1-c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536676326 893514786 /nfs/dbraw/zinc/51/47/86/893514786.db2.gz MJEVRRQPNPPNEG-GOSISDBHSA-N 1 0 399.502 3.906 20 30 GHEDRO Cc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccc(OCC#N)cc3)CC1)O2 ZINC001137121547 893654371 /nfs/dbraw/zinc/65/43/71/893654371.db2.gz QQALZUANYYUGKI-UHFFFAOYSA-N 1 0 376.456 3.897 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000154727754 893693464 /nfs/dbraw/zinc/69/34/64/893693464.db2.gz PKBVBFJOAQLBHD-UHFFFAOYSA-N 1 0 382.479 3.919 20 30 GHEDRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001137122782 893701998 /nfs/dbraw/zinc/70/19/98/893701998.db2.gz RVAWJEZLWPHHGV-IBGZPJMESA-N 1 0 385.508 3.953 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)OCc3ccccc3)CC2)cc1 ZINC000877751217 893789788 /nfs/dbraw/zinc/78/97/88/893789788.db2.gz YWPBAECTOFZOCS-SFHVURJKSA-N 1 0 393.487 3.868 20 30 GHEDRO Cc1nsc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000459554767 893794096 /nfs/dbraw/zinc/79/40/96/893794096.db2.gz AVLKNOGZROMIDB-ZIAGYGMSSA-N 1 0 383.521 3.601 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000563482819 893795493 /nfs/dbraw/zinc/79/54/93/893795493.db2.gz KPVUJSNJEMRYBZ-HXUWFJFHSA-N 1 0 384.455 3.909 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2snc(C)c2C#N)CC1)CC1CC1 ZINC000459557641 893803566 /nfs/dbraw/zinc/80/35/66/893803566.db2.gz HSCOFFIMUKTQTL-UHFFFAOYSA-N 1 0 375.542 3.689 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@H](c1ccncc1)C1CC1)CCCCC2 ZINC000934690884 893818518 /nfs/dbraw/zinc/81/85/18/893818518.db2.gz DAZMSBIIZLEHOQ-FQEVSTJZSA-N 1 0 380.517 3.963 20 30 GHEDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000877822150 893835143 /nfs/dbraw/zinc/83/51/43/893835143.db2.gz PEZWSVSKSDJHPL-GOSISDBHSA-N 1 0 380.492 3.629 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877825073 893835859 /nfs/dbraw/zinc/83/58/59/893835859.db2.gz WXQBJNQNQYCKQB-CXAGYDPISA-N 1 0 378.398 3.500 20 30 GHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000563527311 893869589 /nfs/dbraw/zinc/86/95/89/893869589.db2.gz QXDJHAJRQJBLPR-GOSISDBHSA-N 1 0 394.523 3.599 20 30 GHEDRO C=CC[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC1CCCCC1 ZINC000069860094 893947626 /nfs/dbraw/zinc/94/76/26/893947626.db2.gz AHOINIONUQGSRT-UHFFFAOYSA-N 1 0 397.563 3.932 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459689310 894078860 /nfs/dbraw/zinc/07/88/60/894078860.db2.gz IIUUXPPAKOXQEH-CABCVRRESA-N 1 0 394.313 3.714 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000459716665 894096551 /nfs/dbraw/zinc/09/65/51/894096551.db2.gz QFOJEZQLSWQEJD-CQSZACIVSA-N 1 0 396.329 3.819 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1 ZINC000126988275 894113999 /nfs/dbraw/zinc/11/39/99/894113999.db2.gz XNSSJBRNRJFKCY-GOSISDBHSA-N 1 0 380.488 3.963 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455841008 894121677 /nfs/dbraw/zinc/12/16/77/894121677.db2.gz DKILGPDLMURRCY-JOCHJYFZSA-N 1 0 392.503 3.788 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000127108392 894274897 /nfs/dbraw/zinc/27/48/97/894274897.db2.gz PONLPKVWTHNWIB-VQTJNVASSA-N 1 0 386.540 3.535 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2cccc(C)c2)c1 ZINC000022691563 894282536 /nfs/dbraw/zinc/28/25/36/894282536.db2.gz LOMWCQBYCYUAFZ-GOSISDBHSA-O 1 0 383.537 3.607 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)cn2)cc1)C[C@@H]1CCCCO1 ZINC000537118610 894337196 /nfs/dbraw/zinc/33/71/96/894337196.db2.gz VRVIXVIWARFHRE-NRFANRHFSA-N 1 0 392.503 3.985 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1CC ZINC000022796993 894406568 /nfs/dbraw/zinc/40/65/68/894406568.db2.gz XGWHOFAZCDETBV-UHFFFAOYSA-O 1 0 375.464 3.919 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CC1 ZINC000878750358 894579982 /nfs/dbraw/zinc/57/99/82/894579982.db2.gz BJULSXWRFLGUAP-UHFFFAOYSA-N 1 0 393.409 3.730 20 30 GHEDRO COc1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC000564314033 894853853 /nfs/dbraw/zinc/85/38/53/894853853.db2.gz AOSDMAFESDKBSV-UHFFFAOYSA-N 1 0 381.520 3.918 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[NH+](C)C)cc1 ZINC001135715659 895151729 /nfs/dbraw/zinc/15/17/29/895151729.db2.gz YIJGHSWXGUKSKQ-GMAHTHKFSA-N 1 0 393.531 3.943 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000564962178 895329425 /nfs/dbraw/zinc/32/94/25/895329425.db2.gz CVTDBNXVXQSMHV-CVEARBPZSA-N 1 0 385.478 3.660 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879998088 895437204 /nfs/dbraw/zinc/43/72/04/895437204.db2.gz KTAWGGFUHRUCFT-CLOONOSVSA-N 1 0 394.478 3.814 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879998091 895438995 /nfs/dbraw/zinc/43/89/95/895438995.db2.gz KTAWGGFUHRUCFT-UQBPGWFLSA-N 1 0 394.478 3.814 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c(C#N)c1C ZINC000880101370 895514593 /nfs/dbraw/zinc/51/45/93/895514593.db2.gz GNYXFCKENVOGDO-WDEREUQCSA-N 1 0 380.370 3.860 20 30 GHEDRO CC1(C)[C@@H](c2ccccc2Cl)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000880288236 895620202 /nfs/dbraw/zinc/62/02/02/895620202.db2.gz XWXQZRFPRVEJOK-SJLPKXTDSA-N 1 0 376.928 3.979 20 30 GHEDRO C=CCCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000880388765 895682064 /nfs/dbraw/zinc/68/20/64/895682064.db2.gz OGFYQZMSRGVRPP-QFIPXVFZSA-N 1 0 397.563 3.535 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880576285 895754475 /nfs/dbraw/zinc/75/44/75/895754475.db2.gz UTYGUSIIQOCYMZ-GOSISDBHSA-N 1 0 387.549 3.769 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880715649 895827831 /nfs/dbraw/zinc/82/78/31/895827831.db2.gz XCPWRFQXLNMBIT-QGZVFWFLSA-N 1 0 399.445 3.750 20 30 GHEDRO N#Cc1cc2c(n(CCCc3ccccc3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000565845160 895925447 /nfs/dbraw/zinc/92/54/47/895925447.db2.gz OQBOYGKHLWYFJX-UHFFFAOYSA-N 1 0 383.495 3.911 20 30 GHEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CCC[N@@H+](CC)CC1 ZINC000565861555 895940101 /nfs/dbraw/zinc/94/01/01/895940101.db2.gz LWOPSPCVYFGXNH-UHFFFAOYSA-N 1 0 375.520 3.740 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)CC2)CC1 ZINC000880925319 896001408 /nfs/dbraw/zinc/00/14/08/896001408.db2.gz RPUSYBMDQCPHBU-KRWDZBQOSA-N 1 0 394.441 3.679 20 30 GHEDRO C=CCCC[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC001136101938 896005646 /nfs/dbraw/zinc/00/56/46/896005646.db2.gz BPSQQWCKCUQGAJ-QFIPXVFZSA-N 1 0 392.547 3.590 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C(F)(F)F)c1 ZINC000880930285 896008244 /nfs/dbraw/zinc/00/82/44/896008244.db2.gz SYGPVNRNKCGLCY-SJLPKXTDSA-N 1 0 394.441 3.679 20 30 GHEDRO CN(c1ncc(C#N)cc1Br)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001185666427 914032918 /nfs/dbraw/zinc/03/29/18/914032918.db2.gz CLADPHMGNAPQES-KRWDZBQOSA-N 1 0 385.309 3.817 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)Nc2cccc(CC#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000881149955 896200485 /nfs/dbraw/zinc/20/04/85/896200485.db2.gz GBEIOOSHIAVYSJ-PKOBYXMFSA-N 1 0 377.492 3.570 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21 ZINC000818583999 896213149 /nfs/dbraw/zinc/21/31/49/896213149.db2.gz ACQLQTIUPIDGBC-UHFFFAOYSA-N 1 0 396.516 3.561 20 30 GHEDRO C=CCNc1ncc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC001136164063 896243019 /nfs/dbraw/zinc/24/30/19/896243019.db2.gz GAPDDCVAWIODIF-UHFFFAOYSA-N 1 0 384.549 3.903 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)c1 ZINC000819066326 896383698 /nfs/dbraw/zinc/38/36/98/896383698.db2.gz AAIIQZZKNVZYDG-QZTJIDSGSA-N 1 0 388.895 3.859 20 30 GHEDRO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000566614593 896423831 /nfs/dbraw/zinc/42/38/31/896423831.db2.gz OYEUDDIOYSAQMJ-SFHVURJKSA-N 1 0 399.498 3.646 20 30 GHEDRO C[C@](O)(C[NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Br)cc1F ZINC000819271500 896557770 /nfs/dbraw/zinc/55/77/70/896557770.db2.gz SEGNWNIPYFYIRB-OALUTQOASA-N 1 0 389.268 3.944 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1 ZINC000819274983 896561162 /nfs/dbraw/zinc/56/11/62/896561162.db2.gz KMQJZYXDVJARBX-BMGDILEWSA-N 1 0 375.241 3.639 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(Cc3cccc(Cl)c3)CC2)c1 ZINC000567043242 896827013 /nfs/dbraw/zinc/82/70/13/896827013.db2.gz NFVOCGOGDZTDBP-UHFFFAOYSA-N 1 0 388.920 3.598 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000819560520 896848519 /nfs/dbraw/zinc/84/85/19/896848519.db2.gz FYOVYRJNOMLXEX-CQSZACIVSA-N 1 0 388.002 3.687 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000302950579 914105850 /nfs/dbraw/zinc/10/58/50/914105850.db2.gz MMVOHCVSUANUHS-NRFANRHFSA-N 1 0 394.515 3.999 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)cc1 ZINC000567362885 897094645 /nfs/dbraw/zinc/09/46/45/897094645.db2.gz MABGUMOJWGEMNC-HXUWFJFHSA-N 1 0 380.492 3.843 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)cc1 ZINC000567362884 897095051 /nfs/dbraw/zinc/09/50/51/897095051.db2.gz MABGUMOJWGEMNC-FQEVSTJZSA-N 1 0 380.492 3.843 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](CCc1ccc(Cl)cc1Cl)CC2 ZINC001276323491 914130000 /nfs/dbraw/zinc/13/00/00/914130000.db2.gz CHNPIYLYVQXYIC-UHFFFAOYSA-N 1 0 379.331 3.874 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883225891 897385278 /nfs/dbraw/zinc/38/52/78/897385278.db2.gz OKROXVWHCAJISE-CULRFDQTSA-N 1 0 377.550 3.518 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000567859486 897457546 /nfs/dbraw/zinc/45/75/46/897457546.db2.gz FBAOZUCFRJSTMR-KRWDZBQOSA-N 1 0 393.457 3.670 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1F ZINC000820738079 897526058 /nfs/dbraw/zinc/52/60/58/897526058.db2.gz RZZYIJVMINIFRM-APWZRJJASA-N 1 0 377.891 3.813 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000131937550 897613362 /nfs/dbraw/zinc/61/33/62/897613362.db2.gz SFSMFEZXOMKQRG-UHFFFAOYSA-N 1 0 387.524 3.733 20 30 GHEDRO CC(C)(CNC(=O)[C@H](C#N)CCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001136423326 897751666 /nfs/dbraw/zinc/75/16/66/897751666.db2.gz DBTPNQUBVXEGTG-NRFANRHFSA-N 1 0 375.516 3.712 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000883623896 897766853 /nfs/dbraw/zinc/76/68/53/897766853.db2.gz IKWNBNYDPHORPJ-FQEVSTJZSA-N 1 0 393.478 3.525 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000883623898 897767164 /nfs/dbraw/zinc/76/71/64/897767164.db2.gz INKPQHUINMJOOP-FXAWDEMLSA-N 1 0 393.478 3.525 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccccc1 ZINC000568475239 897868883 /nfs/dbraw/zinc/86/88/83/897868883.db2.gz WOYMKJFOXRFIJY-WIYYLYMNSA-N 1 0 376.504 3.883 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000568620986 897988075 /nfs/dbraw/zinc/98/80/75/897988075.db2.gz TXKZNRZHTGYHMW-QGZVFWFLSA-N 1 0 395.311 3.916 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)CCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000568763630 898086898 /nfs/dbraw/zinc/08/68/98/898086898.db2.gz XOVNZRKZFRIHDK-UHFFFAOYSA-N 1 0 396.487 3.685 20 30 GHEDRO N#Cc1cnn2cc(C[NH+]3CCC(F)(Cc4ccc(Cl)cc4)CC3)cnc12 ZINC000569104349 898344205 /nfs/dbraw/zinc/34/42/05/898344205.db2.gz FLRBXRYQVYJPKI-UHFFFAOYSA-N 1 0 383.858 3.801 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc(OC)c1O ZINC000282881657 898547921 /nfs/dbraw/zinc/54/79/21/898547921.db2.gz CQYXCISZZXMVMP-IBGZPJMESA-N 1 0 381.476 3.525 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000569453035 898678975 /nfs/dbraw/zinc/67/89/75/898678975.db2.gz TZVKXCALOMNAHP-ZHALLVOQSA-N 1 0 376.460 3.860 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000884058477 898711124 /nfs/dbraw/zinc/71/11/24/898711124.db2.gz LYMLUQJADPDRSW-LJQANCHMSA-N 1 0 385.552 3.531 20 30 GHEDRO C#C[C@H](NC(=O)N(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000823186045 898875914 /nfs/dbraw/zinc/87/59/14/898875914.db2.gz IALDMJKPSHSPCD-GOTSBHOMSA-N 1 0 397.563 3.501 20 30 GHEDRO C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1Oc1ccccc1 ZINC000884117917 898944864 /nfs/dbraw/zinc/94/48/64/898944864.db2.gz PEIYLCGUILVKAO-PDIVGGKMSA-N 1 0 375.472 3.795 20 30 GHEDRO C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1Oc1ccccc1 ZINC000884117918 898945049 /nfs/dbraw/zinc/94/50/49/898945049.db2.gz PEIYLCGUILVKAO-ZRSCRABMSA-N 1 0 375.472 3.795 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884131316 899014819 /nfs/dbraw/zinc/01/48/19/899014819.db2.gz IIUWDGUFOCQGKY-LLDNLQTHSA-N 1 0 394.544 3.744 20 30 GHEDRO C[C@@H](Oc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1 ZINC000884144800 899074219 /nfs/dbraw/zinc/07/42/19/899074219.db2.gz UFQHOJJUOSNNIP-LMTOITPJSA-N 1 0 375.472 3.904 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)cc(OC)c1OC ZINC000823825981 899258536 /nfs/dbraw/zinc/25/85/36/899258536.db2.gz ZYOIRVSDYWNTEO-UHFFFAOYSA-N 1 0 393.487 3.916 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289770894 914337746 /nfs/dbraw/zinc/33/77/46/914337746.db2.gz KQNZXZVEBDIFBY-UHFFFAOYSA-N 1 0 391.475 3.908 20 30 GHEDRO Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c(C#N)c1 ZINC001186159404 914338424 /nfs/dbraw/zinc/33/84/24/914338424.db2.gz QBZLVAOUKBWZDX-UHFFFAOYSA-N 1 0 397.544 3.721 20 30 GHEDRO COCCN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccn1 ZINC000289771451 914339195 /nfs/dbraw/zinc/33/91/95/914339195.db2.gz KQFUALAXXXVVOZ-UHFFFAOYSA-N 1 0 375.476 3.507 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)NCC2(C#N)CC2)cc1)C[C@@H]1CCCCO1 ZINC000570579011 899405257 /nfs/dbraw/zinc/40/52/57/899405257.db2.gz UJVPWZBCCFNQKX-FQEVSTJZSA-N 1 0 384.524 3.891 20 30 GHEDRO CSc1ccc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000824115127 899417208 /nfs/dbraw/zinc/41/72/08/899417208.db2.gz KBRPZWRPGMAZKA-UHFFFAOYSA-N 1 0 393.556 3.994 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289803058 914356564 /nfs/dbraw/zinc/35/65/64/914356564.db2.gz MNSUDRAFNCNIQA-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000824501368 899668113 /nfs/dbraw/zinc/66/81/13/899668113.db2.gz IZCBNDRDGLJEFC-QGZVFWFLSA-N 1 0 386.540 3.810 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332506934 899719881 /nfs/dbraw/zinc/71/98/81/899719881.db2.gz SYYFROLYNWDGMA-RCCFBDPRSA-N 1 0 386.565 3.578 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1C ZINC001136920006 899755048 /nfs/dbraw/zinc/75/50/48/899755048.db2.gz ZJDAJHOBGRGWHG-UHFFFAOYSA-N 1 0 379.504 3.988 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1COc1ccccc1 ZINC000120175928 899763371 /nfs/dbraw/zinc/76/33/71/899763371.db2.gz VJPIBZHPVYGBSF-UHFFFAOYSA-N 1 0 380.492 3.965 20 30 GHEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(OCC(F)(F)F)c1 ZINC000120206334 899770279 /nfs/dbraw/zinc/77/02/79/899770279.db2.gz OMEUFJYQGXGYPS-UHFFFAOYSA-N 1 0 386.418 3.635 20 30 GHEDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]2C1)C(F)(F)F ZINC000824828226 899849049 /nfs/dbraw/zinc/84/90/49/899849049.db2.gz MBUPKPJBKVCNLV-JQWIXIFHSA-N 1 0 398.322 3.687 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1OCCCC#N ZINC000289866895 914390851 /nfs/dbraw/zinc/39/08/51/914390851.db2.gz VQCATLIFFBLARN-GOSISDBHSA-N 1 0 386.414 3.657 20 30 GHEDRO CC(C)c1cc(Br)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884378277 899975484 /nfs/dbraw/zinc/97/54/84/899975484.db2.gz NFYUHGJUTOUHPV-YNAXMUEKSA-N 1 0 376.298 3.650 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)ccc1OC ZINC000825265795 900061028 /nfs/dbraw/zinc/06/10/28/900061028.db2.gz FAAFZOUYMIQGBF-INIZCTEOSA-N 1 0 386.423 3.592 20 30 GHEDRO C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884417546 900069094 /nfs/dbraw/zinc/06/90/94/900069094.db2.gz KNFSTYREOLSQPT-LCTYFBFGSA-N 1 0 387.527 3.903 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000134791144 900119938 /nfs/dbraw/zinc/11/99/38/900119938.db2.gz BWIZYFSGAGXAGW-VXKWHMMOSA-N 1 0 395.478 3.660 20 30 GHEDRO Cc1cc(C#N)cc(N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000884592701 900187193 /nfs/dbraw/zinc/18/71/93/900187193.db2.gz UAXIKVXMBLPMHB-NRFANRHFSA-N 1 0 376.504 3.887 20 30 GHEDRO C[NH+](C)CCn1nccc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001137036856 900188155 /nfs/dbraw/zinc/18/81/55/900188155.db2.gz HRKIAHGAUSLQOF-UHFFFAOYSA-N 1 0 393.422 3.500 20 30 GHEDRO CC[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000135299858 900218796 /nfs/dbraw/zinc/21/87/96/900218796.db2.gz IXZCZTZHLBMXNF-IBGZPJMESA-N 1 0 396.466 3.686 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000135324904 900223948 /nfs/dbraw/zinc/22/39/48/900223948.db2.gz POKROGLMRFGOMR-QGZVFWFLSA-N 1 0 388.487 3.848 20 30 GHEDRO C=CCCC[C@@H](NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000884714353 900246718 /nfs/dbraw/zinc/24/67/18/900246718.db2.gz QLZPXCXCEKLOOW-DYESRHJHSA-N 1 0 379.504 3.536 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cc(Br)c(C)cn1)C2 ZINC001143650590 900286419 /nfs/dbraw/zinc/28/64/19/900286419.db2.gz NBKIHDMTYGDFKB-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(Br)c(C)cn1)CC2 ZINC001143657786 900299760 /nfs/dbraw/zinc/29/97/60/900299760.db2.gz OVPFXRGAVBQYBR-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO N#Cc1cc2nc(Cl)c(-n3c4ccccc4c4c3C[C@H]([NH3+])CC4)nc2cc1C#N ZINC001171095765 900344903 /nfs/dbraw/zinc/34/49/03/900344903.db2.gz OMAUVCOQKOXSJF-CQSZACIVSA-N 1 0 398.857 3.786 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000573080545 900373761 /nfs/dbraw/zinc/37/37/61/900373761.db2.gz PTOMUOUMWCGQTD-UHFFFAOYSA-N 1 0 394.544 3.817 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(CCC)[C@H]2CC[N@H+](C)C2)s1 ZINC000843990538 900395309 /nfs/dbraw/zinc/39/53/09/900395309.db2.gz WAXXQBALCXHWLL-AWEZNQCLSA-N 1 0 388.002 3.781 20 30 GHEDRO Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001143764337 900491223 /nfs/dbraw/zinc/49/12/23/900491223.db2.gz OSTYZBBPNZZHFZ-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3F)C2)C1=O ZINC001143789512 900511010 /nfs/dbraw/zinc/51/10/10/900511010.db2.gz UNRXWERNMAOIGH-GOSISDBHSA-N 1 0 386.389 3.725 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)cc1F ZINC000573560557 900562737 /nfs/dbraw/zinc/56/27/37/900562737.db2.gz JOKXBQZYCMKSHG-KRWDZBQOSA-N 1 0 383.442 3.755 20 30 GHEDRO C#Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c(Cl)c1 ZINC000885673545 900585049 /nfs/dbraw/zinc/58/50/49/900585049.db2.gz RHSFJXLFRBKZCA-UHFFFAOYSA-N 1 0 382.891 3.778 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@H+]2CC(C)(C)Sc2ccc(Cl)cc2)C1=O ZINC001275516119 914461471 /nfs/dbraw/zinc/46/14/71/914461471.db2.gz TWMJOHYFLRWYSR-HXUWFJFHSA-N 1 0 376.953 3.911 20 30 GHEDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000844372039 900738316 /nfs/dbraw/zinc/73/83/16/900738316.db2.gz UFDMANBSFTYWSE-KRWDZBQOSA-N 1 0 379.338 3.651 20 30 GHEDRO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368769 900779837 /nfs/dbraw/zinc/77/98/37/900779837.db2.gz ZVYWQHJYNMYTQZ-IBGZPJMESA-N 1 0 378.428 3.647 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000574239923 900830133 /nfs/dbraw/zinc/83/01/33/900830133.db2.gz HPEBYGBTOMBQON-KRWDZBQOSA-N 1 0 397.441 3.650 20 30 GHEDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000290021010 914483554 /nfs/dbraw/zinc/48/35/54/914483554.db2.gz ZPKYZSKZNKEGJX-OFNKIYASSA-N 1 0 380.488 3.634 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cc(F)c(OCC)c(F)c3)C2)C1 ZINC001144023456 900942402 /nfs/dbraw/zinc/94/24/02/900942402.db2.gz WCDPTSAZTMGZFC-OAQYLSRUSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(F)c(OCC)c(F)c1)CC2 ZINC001144028921 900952489 /nfs/dbraw/zinc/95/24/89/900952489.db2.gz KHFRRHBYLFYLBT-OAQYLSRUSA-N 1 0 378.463 3.897 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001144075906 901038896 /nfs/dbraw/zinc/03/88/96/901038896.db2.gz UYTPXKYCVMVCLQ-PMACEKPBSA-N 1 0 384.524 3.812 20 30 GHEDRO CC(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000844595996 901061351 /nfs/dbraw/zinc/06/13/51/901061351.db2.gz DQFFUCHJVHRIMO-UHFFFAOYSA-N 1 0 392.528 3.712 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000844611530 901108630 /nfs/dbraw/zinc/10/86/30/901108630.db2.gz JQMAHIURSNDKKJ-VGSWGCGISA-N 1 0 378.476 3.764 20 30 GHEDRO C#CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)C1CC[NH+](C)CC1 ZINC000886579987 901176178 /nfs/dbraw/zinc/17/61/78/901176178.db2.gz QISSSWDGDZVYJO-UHFFFAOYSA-N 1 0 385.508 3.512 20 30 GHEDRO Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000887051123 901410179 /nfs/dbraw/zinc/41/01/79/901410179.db2.gz WMXKHUYWFZJXLS-BSRHZMJTSA-N 1 0 398.510 3.973 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000575875344 901416717 /nfs/dbraw/zinc/41/67/17/901416717.db2.gz YZOKPOMEOKRQJV-UWJYYQICSA-N 1 0 387.549 3.549 20 30 GHEDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000093415332 901545730 /nfs/dbraw/zinc/54/57/30/901545730.db2.gz FIBSUNBQKDBBNI-JOCHJYFZSA-N 1 0 390.487 3.638 20 30 GHEDRO C/C(=C/c1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845001558 901629466 /nfs/dbraw/zinc/62/94/66/901629466.db2.gz CFTRKWBJYPUMGB-LGMDPLHJSA-N 1 0 377.463 3.881 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C\Sc3ccccc3)CC2)c1 ZINC000845007646 901639492 /nfs/dbraw/zinc/63/94/92/901639492.db2.gz WJBVIXONGOGYLL-KAMYIIQDSA-N 1 0 377.513 3.945 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000140570437 901742944 /nfs/dbraw/zinc/74/29/44/901742944.db2.gz HITYNCYPKOCOES-HXUWFJFHSA-N 1 0 384.524 3.527 20 30 GHEDRO CC[N@H+](C)C[C@@H](O)CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N ZINC000576479083 902044364 /nfs/dbraw/zinc/04/43/64/902044364.db2.gz LNTHPXMKYSMWAG-GFCCVEGCSA-N 1 0 399.438 3.945 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(C(=O)c2ccccc2F)CC1 ZINC001171194006 902291780 /nfs/dbraw/zinc/29/17/80/902291780.db2.gz FIRNGIFEFHYVPB-KRWDZBQOSA-N 1 0 379.479 3.770 20 30 GHEDRO Cc1cc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)n(C2CC[NH+](C)CC2)n1 ZINC000576964649 902391034 /nfs/dbraw/zinc/39/10/34/902391034.db2.gz VWOYFOGGHXZPMP-FQEVSTJZSA-N 1 0 392.507 3.529 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cccc(OC)c2)CCO3)cc1 ZINC001144569319 902399586 /nfs/dbraw/zinc/39/95/86/902399586.db2.gz OLRDMQVRFFCIMZ-UHFFFAOYSA-N 1 0 390.527 3.544 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@@H+]([C@H](C)Cc4cccc(C#N)c4)C3)CC2=O)cc1 ZINC001171208794 902632649 /nfs/dbraw/zinc/63/26/49/902632649.db2.gz DZYHQRUAINRVLY-HOYKHHGWSA-N 1 0 389.499 3.627 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001171209039 902642233 /nfs/dbraw/zinc/64/22/33/902642233.db2.gz HJKRKAFENFZRBG-SFHVURJKSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001171211158 902645573 /nfs/dbraw/zinc/64/55/73/902645573.db2.gz BQRKVPVGHCNGSY-GBXCKJPGSA-N 1 0 375.516 3.861 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001171213309 902708873 /nfs/dbraw/zinc/70/88/73/902708873.db2.gz YLSHXCHTKLXRIZ-YADARESESA-N 1 0 388.515 3.541 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3cscc3Br)CC2)C1=O ZINC001275540751 914651599 /nfs/dbraw/zinc/65/15/99/914651599.db2.gz MXGPKLOSMHANJZ-UHFFFAOYSA-N 1 0 396.354 3.629 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001171217148 902754656 /nfs/dbraw/zinc/75/46/56/902754656.db2.gz NZOAUUUNMOFEOW-XCYUPCBOSA-N 1 0 377.488 3.585 20 30 GHEDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+]([C@H](C)Cc4cccc(C#N)c4)C3)C2)n1 ZINC001171217504 902757684 /nfs/dbraw/zinc/75/76/84/902757684.db2.gz PPWDPYHMHWFSBG-FOVJLYNBSA-N 1 0 391.515 3.643 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC001171218323 902776843 /nfs/dbraw/zinc/77/68/43/902776843.db2.gz UOBFLTFOXUZXHD-XXBNENTESA-N 1 0 387.527 3.970 20 30 GHEDRO C[C@@H](C#N)CN(C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000264039151 902796221 /nfs/dbraw/zinc/79/62/21/902796221.db2.gz FPJUKEKYGQTEEB-KRWDZBQOSA-N 1 0 385.512 3.515 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cccc(COCc3ccccc3)c2)CCOCC1 ZINC000600720449 902843116 /nfs/dbraw/zinc/84/31/16/902843116.db2.gz YLHNFQYXEPEJPG-QHCPKHFHSA-N 1 0 394.515 3.564 20 30 GHEDRO COc1ccc([C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c2ccc(C)cc2)cc1 ZINC000600723964 902845983 /nfs/dbraw/zinc/84/59/83/902845983.db2.gz ZYLZQTPHKZNHHF-JTHBVZDNSA-N 1 0 394.515 3.754 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(C#N)c1 ZINC000129726927 902846091 /nfs/dbraw/zinc/84/60/91/902846091.db2.gz PESVEMIYUVDUPW-OAQYLSRUSA-N 1 0 385.471 3.763 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CCC3)cc1 ZINC000600725415 902847706 /nfs/dbraw/zinc/84/77/06/902847706.db2.gz JKEOFUXEZKWBCF-NVXWUHKLSA-N 1 0 383.517 3.840 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CCCCSc2ccccc2Br)CC1 ZINC000600726884 902850319 /nfs/dbraw/zinc/85/03/19/902850319.db2.gz VTRBGSDMMKTPJL-CQSZACIVSA-N 1 0 383.355 3.966 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccccc2C#N)CCCC1)c1ccccc1 ZINC001186590347 914676299 /nfs/dbraw/zinc/67/62/99/914676299.db2.gz KIHGPXYQXJQWPO-QGZVFWFLSA-N 1 0 383.517 3.500 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001171232661 903046635 /nfs/dbraw/zinc/04/66/35/903046635.db2.gz VDQUMJHXKJSHBU-KRWDZBQOSA-N 1 0 382.529 3.772 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171233020 903048711 /nfs/dbraw/zinc/04/87/11/903048711.db2.gz YSAARDYHXUJZLQ-KRWDZBQOSA-N 1 0 392.503 3.784 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264468838 903114100 /nfs/dbraw/zinc/11/41/00/903114100.db2.gz MUVLTNAJTLKIPT-ROUUACIJSA-N 1 0 386.565 3.580 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)s2)cc1 ZINC000264583317 903217368 /nfs/dbraw/zinc/21/73/68/903217368.db2.gz KAQSTIQSPCYBCM-SFHVURJKSA-N 1 0 395.532 3.698 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCc3ccc(Br)cc3)CC2)C1=O ZINC001275546201 914696850 /nfs/dbraw/zinc/69/68/50/914696850.db2.gz BYWRDSAKXBURNJ-HXUWFJFHSA-N 1 0 391.353 3.882 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1oc2ccccc2c1Br ZINC000601016267 903229445 /nfs/dbraw/zinc/22/94/45/903229445.db2.gz IVXRMNJEFHKZRJ-UHFFFAOYSA-N 1 0 378.270 3.503 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000264665546 903296681 /nfs/dbraw/zinc/29/66/81/903296681.db2.gz SEVPBVQJPBZNAM-OAQYLSRUSA-N 1 0 377.492 3.666 20 30 GHEDRO CCc1cc(N2CCC([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)CC2)ncn1 ZINC000577883711 903307746 /nfs/dbraw/zinc/30/77/46/903307746.db2.gz LDHYUOXRRVTPGS-JOCHJYFZSA-N 1 0 375.520 3.937 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000775040094 914715686 /nfs/dbraw/zinc/71/56/86/914715686.db2.gz PNFDZGMASXEJTF-MJGOQNOKSA-N 1 0 386.540 3.914 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000577994097 903425096 /nfs/dbraw/zinc/42/50/96/903425096.db2.gz XVLIKSVEDRBWQV-NFBKMPQASA-N 1 0 389.499 3.627 20 30 GHEDRO N#Cc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1C(F)(F)F ZINC001171274388 903465446 /nfs/dbraw/zinc/46/54/46/903465446.db2.gz FDVLUELYYBBCQX-UHFFFAOYSA-N 1 0 385.393 3.942 20 30 GHEDRO Cn1ccc2nc(Cl)nc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c21 ZINC001171274380 903465641 /nfs/dbraw/zinc/46/56/41/903465641.db2.gz DTCPCJMOOSLDHA-UHFFFAOYSA-N 1 0 380.883 3.592 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3csc(C#N)c3)cc[nH+]2)CC1 ZINC001212836170 903474352 /nfs/dbraw/zinc/47/43/52/903474352.db2.gz VAZIVANEEBBIBT-UHFFFAOYSA-N 1 0 385.493 3.815 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000578053657 903479393 /nfs/dbraw/zinc/47/93/93/903479393.db2.gz UFRPSZZWGDBESY-WSTZPKSXSA-N 1 0 399.416 3.824 20 30 GHEDRO CC1(C)CNC(=O)c2cc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC001171277708 903547572 /nfs/dbraw/zinc/54/75/72/903547572.db2.gz OSYWWAPLXBWPEN-UHFFFAOYSA-N 1 0 388.515 3.678 20 30 GHEDRO N#Cc1cc(Br)cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171282583 903583243 /nfs/dbraw/zinc/58/32/43/903583243.db2.gz TZYYJZIEUDGAIO-UHFFFAOYSA-N 1 0 396.292 3.686 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)c2)C1 ZINC000887736922 903694844 /nfs/dbraw/zinc/69/48/44/903694844.db2.gz LUBUDMIWAIALTB-GOTSBHOMSA-N 1 0 389.499 3.581 20 30 GHEDRO O=C(c1cccc([N+](=O)[O-])c1)C(C(=S)NC(C1CC1)C1CC1)[n+]1ccccc1 ZINC000265298785 903785323 /nfs/dbraw/zinc/78/53/23/903785323.db2.gz COUKTLWRXOMGRP-UHFFFAOYSA-O 1 0 396.492 3.599 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000772985762 903875987 /nfs/dbraw/zinc/87/59/87/903875987.db2.gz YFCWSVNCVQKFKB-DNVCBOLYSA-N 1 0 396.447 3.783 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000265443817 903894075 /nfs/dbraw/zinc/89/40/75/903894075.db2.gz IZCSYBQPTSAGNV-LLVKDONJSA-N 1 0 394.426 3.517 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1F ZINC000578524161 903933069 /nfs/dbraw/zinc/93/30/69/903933069.db2.gz JNFXOVUHRSHIFZ-UHFFFAOYSA-N 1 0 394.899 3.692 20 30 GHEDRO CC(C)c1[nH+]c(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccn21 ZINC000578539825 903943963 /nfs/dbraw/zinc/94/39/63/903943963.db2.gz FFUMDCMVKSRMTJ-LJQANCHMSA-N 1 0 387.487 3.615 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001149011215 904267074 /nfs/dbraw/zinc/26/70/74/904267074.db2.gz VBNWTTILOWPUDI-IBGZPJMESA-N 1 0 393.531 3.884 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000153380766 904357446 /nfs/dbraw/zinc/35/74/46/904357446.db2.gz BVMRKIDHQZWPKL-VGSWGCGISA-N 1 0 378.472 3.667 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)CCO2 ZINC001171375332 904401484 /nfs/dbraw/zinc/40/14/84/904401484.db2.gz ZEHHKWPGFOWWNF-LRXVAGHRSA-N 1 0 377.475 3.896 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1C#N ZINC000773076386 904413872 /nfs/dbraw/zinc/41/38/72/904413872.db2.gz NGBXVHQVUMUHKH-CYBMUJFWSA-N 1 0 387.867 3.736 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000159961470 904424509 /nfs/dbraw/zinc/42/45/09/904424509.db2.gz JIDYDAQVZJDKPO-WOJBJXKFSA-N 1 0 384.524 3.527 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000509530168 904469165 /nfs/dbraw/zinc/46/91/65/904469165.db2.gz XQNDVXCXUJIMEN-CTNGQTDRSA-N 1 0 391.515 3.922 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000104169508 904546340 /nfs/dbraw/zinc/54/63/40/904546340.db2.gz FGQFXXMLQBFJQE-UHFFFAOYSA-N 1 0 375.856 3.825 20 30 GHEDRO [NH3+]Cc1nccnc1Nc1cnc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001171449343 904698193 /nfs/dbraw/zinc/69/81/93/904698193.db2.gz TWTAYEXWVGVZSM-UHFFFAOYSA-N 1 0 381.443 3.638 20 30 GHEDRO CCC1(CNC(=O)c2cnn(CCC#N)c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000889687782 904712159 /nfs/dbraw/zinc/71/21/59/904712159.db2.gz YOPQHTSQXGHQQJ-UHFFFAOYSA-N 1 0 393.535 3.527 20 30 GHEDRO C#CCOc1cccc(Cl)c1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000779155300 904788508 /nfs/dbraw/zinc/78/85/08/904788508.db2.gz DWUHVGIKRJVIFI-UHFFFAOYSA-N 1 0 397.950 3.886 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000826676640 904894145 /nfs/dbraw/zinc/89/41/45/904894145.db2.gz DTDGQVAUZUSSBH-PTSWNOGYSA-N 1 0 394.585 3.912 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000779159996 904938743 /nfs/dbraw/zinc/93/87/43/904938743.db2.gz BXPQLOWHWBUGKF-YJBOKZPZSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1C[C@@H](C)N(Cc3ccccc3)C1)C2 ZINC001171751001 904980190 /nfs/dbraw/zinc/98/01/90/904980190.db2.gz MWRROYGWPVJAJR-JCTONOIOSA-N 1 0 381.564 3.683 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1C[C@@H](C)N(Cc3ccccc3)C1)C2 ZINC001171751002 904980501 /nfs/dbraw/zinc/98/05/01/904980501.db2.gz MWRROYGWPVJAJR-KIFXHHALSA-N 1 0 381.564 3.683 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189205140 905044069 /nfs/dbraw/zinc/04/40/69/905044069.db2.gz QUJREWGRXSHANT-SIKLNZKXSA-N 1 0 383.536 3.830 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(-c2ccccc2)n1 ZINC000290932056 914877232 /nfs/dbraw/zinc/87/72/32/914877232.db2.gz PBFFYIGYHHCQML-LJQANCHMSA-N 1 0 380.883 3.761 20 30 GHEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]CC(C)(C)CCC#N ZINC000174376407 905261803 /nfs/dbraw/zinc/26/18/03/905261803.db2.gz TXYQFFVNULDOOO-UHFFFAOYSA-N 1 0 380.330 3.717 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1F ZINC000174495648 905281530 /nfs/dbraw/zinc/28/15/30/905281530.db2.gz DUJRQYUEWNWJSX-GOSISDBHSA-N 1 0 392.434 3.968 20 30 GHEDRO C#CC(C)(C)[NH2+]C1CCC(C(=O)OC)(c2ccc(Br)cc2)CC1 ZINC001172140425 905347580 /nfs/dbraw/zinc/34/75/80/905347580.db2.gz JXJWIKVTRXGNJW-UHFFFAOYSA-N 1 0 378.310 3.804 20 30 GHEDRO COC(=O)C1(c2ccc(Br)cc2)CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001172147208 905390023 /nfs/dbraw/zinc/39/00/23/905390023.db2.gz QRGTXLSTABIVAH-UHFFFAOYSA-N 1 0 391.309 3.694 20 30 GHEDRO COC(=O)C1(c2ccc(Br)cc2)CCC([NH+]2CC(CC#N)C2)CC1 ZINC001172152191 905391669 /nfs/dbraw/zinc/39/16/69/905391669.db2.gz XQGCSBQEKPFWNC-UHFFFAOYSA-N 1 0 391.309 3.648 20 30 GHEDRO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)Cc2cn(CC3CC3)nc21 ZINC001172303982 905456983 /nfs/dbraw/zinc/45/69/83/905456983.db2.gz JJBLBXSSDXSPRA-VGSWGCGISA-N 1 0 378.520 3.732 20 30 GHEDRO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)[C@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172308474 905465757 /nfs/dbraw/zinc/46/57/57/905465757.db2.gz YEUNQZSIDOKTLQ-QGZVFWFLSA-N 1 0 390.535 3.758 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1noc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001172290864 905480246 /nfs/dbraw/zinc/48/02/46/905480246.db2.gz TWESSGALUNFZKC-OAHLLOKOSA-N 1 0 396.491 3.560 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001172358960 905528410 /nfs/dbraw/zinc/52/84/10/905528410.db2.gz SNHYUALXJDNZPG-XRXFAXGQSA-N 1 0 382.589 3.852 20 30 GHEDRO C[C@H](CCCC#N)n1cncc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001172486786 905559563 /nfs/dbraw/zinc/55/95/63/905559563.db2.gz HGWFKSOBSAWMDB-IERDGZPVSA-N 1 0 375.476 3.800 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@H](C)CCCC#N)c3ccccc32)cc1 ZINC001172490832 905596150 /nfs/dbraw/zinc/59/61/50/905596150.db2.gz LHBHVNSKZLEKAM-MRXNPFEDSA-N 1 0 375.476 3.881 20 30 GHEDRO COc1cccc(NC(=O)c2nc3c(s2)CC[N@@H+]([C@H](C)CCCC#N)CC3)c1 ZINC001172494166 905597943 /nfs/dbraw/zinc/59/79/43/905597943.db2.gz FYPHQFRGMACTIY-OAHLLOKOSA-N 1 0 398.532 3.887 20 30 GHEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001172503786 905601669 /nfs/dbraw/zinc/60/16/69/905601669.db2.gz AXQKYPAAXZWACW-DENIHFKCSA-N 1 0 379.589 3.719 20 30 GHEDRO CCCCCCC[C@@H](CCC)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001172509017 905603822 /nfs/dbraw/zinc/60/38/22/905603822.db2.gz RJYPFQQZKXFXDB-MRXNPFEDSA-N 1 0 385.574 3.611 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C(=O)C3)C2)c1 ZINC001172682744 905734656 /nfs/dbraw/zinc/73/46/56/905734656.db2.gz RCAUFDBTKQODSS-GGAORHGYSA-N 1 0 389.499 3.593 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2)C1 ZINC001172749483 905788725 /nfs/dbraw/zinc/78/87/25/905788725.db2.gz LIFWIAASYPAZOU-GOSISDBHSA-N 1 0 380.529 3.607 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)CCC(=O)OC(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001172753451 905798686 /nfs/dbraw/zinc/79/86/86/905798686.db2.gz ZEKFJLPYTOOURJ-LEEZEASISA-N 1 0 398.547 3.611 20 30 GHEDRO CC(C)(C)c1ncsc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000176468132 905850181 /nfs/dbraw/zinc/85/01/81/905850181.db2.gz DQLNEMBRRQOOBN-UHFFFAOYSA-N 1 0 382.533 3.660 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172909151 905929397 /nfs/dbraw/zinc/92/93/97/905929397.db2.gz PGLUHPNHHVJTRV-IBGZPJMESA-N 1 0 399.491 3.563 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@@H]3CCC[C@@H](OC)C3)c3ccccc32)cc1 ZINC001172930559 905999996 /nfs/dbraw/zinc/99/99/96/905999996.db2.gz RNGYZDAWIPDFQF-IEBWSBKVSA-N 1 0 392.503 3.756 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000628189335 906004325 /nfs/dbraw/zinc/00/43/25/906004325.db2.gz YADKDRNNAOIOHV-HNNXBMFYSA-N 1 0 375.900 3.712 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc1OC ZINC000628237437 906024630 /nfs/dbraw/zinc/02/46/30/906024630.db2.gz NAEMPROLHNKVAY-UHFFFAOYSA-N 1 0 380.916 3.793 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)C[C@H]1C#N ZINC001172970643 906032679 /nfs/dbraw/zinc/03/26/79/906032679.db2.gz ISVUHBPZVDZVJK-QHAWAJNXSA-N 1 0 398.551 3.705 20 30 GHEDRO Cc1c(CC[NH3+])c2ccccc2n1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172971943 906035170 /nfs/dbraw/zinc/03/51/70/906035170.db2.gz UWJBKMMBRHGYAK-SJORKVTESA-N 1 0 382.508 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[C@H]1C#N ZINC001172971882 906035706 /nfs/dbraw/zinc/03/57/06/906035706.db2.gz SXGWEVQAIJAYHX-GJZGRUSLSA-N 1 0 381.423 3.669 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCOc3cc(F)ccc32)C[C@H]1C#N ZINC001172973292 906037012 /nfs/dbraw/zinc/03/70/12/906037012.db2.gz BWSAGHMWWRFZAU-VYDXJSESSA-N 1 0 375.444 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C[C@H]1C#N ZINC001172977723 906043799 /nfs/dbraw/zinc/04/37/99/906043799.db2.gz DYIAEORKYAMPJS-IIYDPXPESA-N 1 0 377.435 3.833 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3cc2O)C[C@H]1C#N ZINC001172979578 906046057 /nfs/dbraw/zinc/04/60/57/906046057.db2.gz DPRRFKJYFWRGIE-OALUTQOASA-N 1 0 381.476 3.927 20 30 GHEDRO COc1ccc2c(CC[NH3+])cn([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c2c1 ZINC001172981827 906048395 /nfs/dbraw/zinc/04/83/95/906048395.db2.gz OKJRWXKQZHUFCE-IRXDYDNUSA-N 1 0 398.507 3.615 20 30 GHEDRO C[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989587 906053155 /nfs/dbraw/zinc/05/31/55/906053155.db2.gz IFGRRIGIMJIAAJ-PMACEKPBSA-N 1 0 395.507 3.596 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C2 ZINC001172960122 906068512 /nfs/dbraw/zinc/06/85/12/906068512.db2.gz VZIGOGWQJLGRMD-AVRDEDQJSA-N 1 0 393.572 3.665 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C3CCN(c4c(F)cc([N+](=O)[O-])cc4F)CC3)CC2)cc1 ZINC001173008460 906083060 /nfs/dbraw/zinc/08/30/60/906083060.db2.gz ZQDLSVQGRQJTSL-UHFFFAOYSA-N 1 0 398.413 3.992 20 30 GHEDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190626917 906184386 /nfs/dbraw/zinc/18/43/86/906184386.db2.gz YZBZWFWYLHRUBC-KXBFYZLASA-N 1 0 399.441 3.920 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCOc2ccccc2C#N)c1F ZINC001173184963 906266476 /nfs/dbraw/zinc/26/64/76/906266476.db2.gz TVOSBFQSVCJXNS-CQSZACIVSA-N 1 0 387.411 3.604 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)CC1 ZINC001173322026 906370620 /nfs/dbraw/zinc/37/06/20/906370620.db2.gz WYBDWZFJHBEOMK-BBHUYCHWSA-N 1 0 383.536 3.552 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)CC1 ZINC001173320990 906370806 /nfs/dbraw/zinc/37/08/06/906370806.db2.gz HDEACNJMKCJIDW-HRTMPFAESA-N 1 0 382.548 3.838 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC001173317281 906389075 /nfs/dbraw/zinc/38/90/75/906389075.db2.gz UHJHNOWOMQOFQO-NGICGMGXSA-N 1 0 378.944 3.817 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C#N)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001173379745 906410671 /nfs/dbraw/zinc/41/06/71/906410671.db2.gz QJTAIYLBDCBPMR-KSZLIROESA-N 1 0 392.540 3.690 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]CCCCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC001173387622 906415911 /nfs/dbraw/zinc/41/59/11/906415911.db2.gz ZFWGWOIATHEVJI-BBWFWOEESA-N 1 0 380.529 3.738 20 30 GHEDRO [NH2+]=C(NC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2n1 ZINC001173414405 906442186 /nfs/dbraw/zinc/44/21/86/906442186.db2.gz DFJYTGAQNUFRHP-UHFFFAOYSA-N 1 0 392.890 3.898 20 30 GHEDRO CC(C)(Cc1ccc(F)cc1)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422662 906458555 /nfs/dbraw/zinc/45/85/55/906458555.db2.gz UJWLCPXQGWOFRF-UHFFFAOYSA-N 1 0 379.479 3.913 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](c3ncccc3Cl)C3CC3)CC2)cc1 ZINC001173429572 906466826 /nfs/dbraw/zinc/46/68/26/906466826.db2.gz RWPDGOJCJDUPST-HXUWFJFHSA-N 1 0 394.906 3.952 20 30 GHEDRO C#CC1([NH2+]C2CCC(OCOC)(c3ccc(Br)cc3)CC2)CC1 ZINC001173555799 906530977 /nfs/dbraw/zinc/53/09/77/906530977.db2.gz PGPXFWMORZYWDF-UHFFFAOYSA-N 1 0 378.310 3.963 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]([NH2+]C3CCC(C)(C#N)CC3)CO2)C1 ZINC001173588257 906545156 /nfs/dbraw/zinc/54/51/56/906545156.db2.gz AKNXLXOTMRYADM-BLVDZXQRSA-N 1 0 377.529 3.607 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001173594397 906546748 /nfs/dbraw/zinc/54/67/48/906546748.db2.gz BTKFXGNKDLOPPD-STBBGYLGSA-N 1 0 375.538 3.612 20 30 GHEDRO Cc1cccc(CN2C(=O)CCC23CC[NH+](C2CCC(C)(C#N)CC2)CC3)n1 ZINC001173594906 906548510 /nfs/dbraw/zinc/54/85/10/906548510.db2.gz HWLSBGVPYPKOEJ-UHFFFAOYSA-N 1 0 380.536 3.820 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](C3CCC(C)(C#N)CC3)CC2)Oc2ccccc21 ZINC001173596202 906551688 /nfs/dbraw/zinc/55/16/88/906551688.db2.gz NQALHKKJPNZDMT-HGCBZUSOSA-N 1 0 395.547 3.996 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[C@H](CC(=O)OCC)C1)CC2 ZINC001173640821 906626442 /nfs/dbraw/zinc/62/64/42/906626442.db2.gz MTJBGBIDRPHZGP-OALUTQOASA-N 1 0 392.540 3.609 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(NC(=O)C4CC4)CC3)c2)c1 ZINC000179915535 906633846 /nfs/dbraw/zinc/63/38/46/906633846.db2.gz BNKPSCZIFXNBOX-UHFFFAOYSA-N 1 0 389.499 3.628 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000180099686 906690011 /nfs/dbraw/zinc/69/00/11/906690011.db2.gz HLPQWIYJEGHUGI-SJLPKXTDSA-N 1 0 382.464 3.919 20 30 GHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1ccccc1Cl ZINC000180136099 906697946 /nfs/dbraw/zinc/69/79/46/906697946.db2.gz DJVPHRGPEVNNJD-UHFFFAOYSA-N 1 0 388.903 3.533 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000180309561 906744129 /nfs/dbraw/zinc/74/41/29/906744129.db2.gz VNQKXPVZDBRVCY-UHFFFAOYSA-N 1 0 392.463 3.589 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 ZINC000182008711 907114374 /nfs/dbraw/zinc/11/43/74/907114374.db2.gz HBASVVQIZRFUFB-PBHICJAKSA-N 1 0 394.393 3.698 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000773418526 907271332 /nfs/dbraw/zinc/27/13/32/907271332.db2.gz SRCVAGXQCHUHDZ-JOCHJYFZSA-N 1 0 378.472 3.913 20 30 GHEDRO Cc1cc(NC(=O)Cc2ccccc2CC#N)ccc1OCC[NH+]1CCCC1 ZINC000777406883 907630485 /nfs/dbraw/zinc/63/04/85/907630485.db2.gz JSFZDGSSBOBPDT-UHFFFAOYSA-N 1 0 377.488 3.717 20 30 GHEDRO Cc1ccc(-n2ncc(C#N)c2Nc2ccc(OCCC[NH+](C)C)nc2)cc1 ZINC001176352729 908068092 /nfs/dbraw/zinc/06/80/92/908068092.db2.gz WYRSVWQKLXYZNB-UHFFFAOYSA-N 1 0 376.464 3.522 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccccc2OCC#N)ccc1OC ZINC000299507408 921389882 /nfs/dbraw/zinc/38/98/82/921389882.db2.gz LTCUOMIDIXNMRH-UHFFFAOYSA-N 1 0 397.475 3.570 20 30 GHEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1ccc(I)cc1C ZINC001176798217 908249984 /nfs/dbraw/zinc/24/99/84/908249984.db2.gz NBMVWUGJMKSVCY-UHFFFAOYSA-N 1 0 386.277 3.826 20 30 GHEDRO C=CCc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2OC)cc(OC)c1OC ZINC000633373675 908295660 /nfs/dbraw/zinc/29/56/60/908295660.db2.gz UYXVPZNVOXENRW-UHFFFAOYSA-N 1 0 384.476 3.755 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)OCC[C@H]3C)sc2C1 ZINC001176971933 908337392 /nfs/dbraw/zinc/33/73/92/908337392.db2.gz VSIKIEHAYVJLSV-RRFJBIMHSA-N 1 0 375.538 3.572 20 30 GHEDRO C=CCC1(C(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CCC1 ZINC000191160202 908586357 /nfs/dbraw/zinc/58/63/57/908586357.db2.gz KANGIGAZQSUYCT-UHFFFAOYSA-N 1 0 386.536 3.539 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000299543862 921431310 /nfs/dbraw/zinc/43/13/10/921431310.db2.gz FPDPEMKXNZOIAW-HNNXBMFYSA-N 1 0 376.460 3.586 20 30 GHEDRO C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+]1C1CCCC1 ZINC001177707832 908721383 /nfs/dbraw/zinc/72/13/83/908721383.db2.gz KAFFFAYOBVVANK-KRWDZBQOSA-N 1 0 393.487 3.819 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000192136460 908728027 /nfs/dbraw/zinc/72/80/27/908728027.db2.gz NWVWLZHWDSAABH-IWMITWMQSA-N 1 0 399.441 3.720 20 30 GHEDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cc(C#N)ccc1Br ZINC001178272129 908977702 /nfs/dbraw/zinc/97/77/02/908977702.db2.gz DYPZTHOERBOWFU-LBPRGKRZSA-N 1 0 382.302 3.571 20 30 GHEDRO Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)o1 ZINC001178462462 909064432 /nfs/dbraw/zinc/06/44/32/909064432.db2.gz FULFZRLGWXOZPU-UHFFFAOYSA-N 1 0 386.459 3.551 20 30 GHEDRO C[C@@H]1CCN(C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000266426158 909149408 /nfs/dbraw/zinc/14/94/08/909149408.db2.gz WSKRLVUXRUYORP-GOSISDBHSA-N 1 0 378.476 3.717 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1OC ZINC000267388643 909476624 /nfs/dbraw/zinc/47/66/24/909476624.db2.gz CGEZHDVUPQVMMQ-DYESRHJHSA-N 1 0 383.492 3.907 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)cc1OC ZINC001179584419 909614357 /nfs/dbraw/zinc/61/43/57/909614357.db2.gz QHLQWPZGSGWSFC-DLBZAZTESA-N 1 0 382.957 3.583 20 30 GHEDRO CN1CC[C@@H](NC(=O)NCc2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000245547445 909727146 /nfs/dbraw/zinc/72/71/46/909727146.db2.gz DYJTXBXGLSPFDG-RTBURBONSA-N 1 0 386.858 3.595 20 30 GHEDRO N#CC1(NC(=O)/C=C/c2cc(F)c(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001179887992 909778906 /nfs/dbraw/zinc/77/89/06/909778906.db2.gz AIJWMAIWQMGWFF-VOTSOKGWSA-N 1 0 399.416 3.792 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl)C2 ZINC001274443815 910017382 /nfs/dbraw/zinc/01/73/82/910017382.db2.gz JNFQAIMQPPLEOB-IFXJQAMLSA-N 1 0 380.319 3.935 20 30 GHEDRO COc1cc(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1F ZINC001180427964 910134218 /nfs/dbraw/zinc/13/42/18/910134218.db2.gz NNVGIUUIMPUPIL-MXVIHJGJSA-N 1 0 395.478 3.547 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001181123568 910557923 /nfs/dbraw/zinc/55/79/23/910557923.db2.gz VIFKNYFKFBLXSR-IBGZPJMESA-N 1 0 397.567 3.954 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)c2c1 ZINC000270519104 910597840 /nfs/dbraw/zinc/59/78/40/910597840.db2.gz ZSWJVGCTJXRKGB-UHFFFAOYSA-N 1 0 391.563 3.718 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000270729409 910679498 /nfs/dbraw/zinc/67/94/98/910679498.db2.gz AJGLHGXGYKEOSH-SFHVURJKSA-N 1 0 391.515 3.940 20 30 GHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(C)c2)c1C ZINC000283840976 911668454 /nfs/dbraw/zinc/66/84/54/911668454.db2.gz BQLPZKUTMCKQMA-UHFFFAOYSA-O 1 0 384.525 3.511 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC3(CCOCC3)CC2)sc2c1CCCC2 ZINC000284713454 911998589 /nfs/dbraw/zinc/99/85/89/911998589.db2.gz IXUNSEUHDYSKBJ-UHFFFAOYSA-N 1 0 387.549 3.720 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014809 912148255 /nfs/dbraw/zinc/14/82/55/912148255.db2.gz DKPFLMPXEXDIBY-LJQANCHMSA-N 1 0 392.956 3.636 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cc1 ZINC001183039032 912210939 /nfs/dbraw/zinc/21/09/39/912210939.db2.gz LOHLZUDKDNHCIR-UHFFFAOYSA-N 1 0 378.398 3.790 20 30 GHEDRO C=C(C)Cn1c(SCc2nc([C@@H]([NH3+])CC(C)C)no2)nnc1-c1ccco1 ZINC000647133403 915049412 /nfs/dbraw/zinc/04/94/12/915049412.db2.gz IDKHXRJZDISHNX-ZDUSSCGKSA-N 1 0 388.497 3.835 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1 ZINC000303788730 915129232 /nfs/dbraw/zinc/12/92/32/915129232.db2.gz UONQGRSOVCUDHU-OAQYLSRUSA-N 1 0 382.508 3.658 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccnc(OCC(F)(F)F)c2)cc1Cl ZINC000303869650 915228159 /nfs/dbraw/zinc/22/81/59/915228159.db2.gz AZXJIIPATPJRLN-UHFFFAOYSA-N 1 0 388.777 3.612 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000303872134 915230924 /nfs/dbraw/zinc/23/09/24/915230924.db2.gz BTYKXSIGHLXNLV-UHFFFAOYSA-N 1 0 382.386 3.737 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001187462970 915272798 /nfs/dbraw/zinc/27/27/98/915272798.db2.gz KEEBPWVLBDLMKU-MRXNPFEDSA-N 1 0 387.443 3.898 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c1 ZINC000303880463 915294843 /nfs/dbraw/zinc/29/48/43/915294843.db2.gz HEVRNVAURFAHLJ-CALCHBBNSA-N 1 0 381.524 3.745 20 30 GHEDRO [NH2+]=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)Nc1ccc2c(c1)CCC2 ZINC000303882918 915295987 /nfs/dbraw/zinc/29/59/87/915295987.db2.gz LZMSIJJXZAWASV-OAHLLOKOSA-N 1 0 394.302 3.649 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000303891618 915299443 /nfs/dbraw/zinc/29/94/43/915299443.db2.gz NEHVCGCDXIEXIJ-HXUWFJFHSA-N 1 0 386.927 3.757 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nc(-c3ccccc3)c[nH]2)c1 ZINC000303896313 915300572 /nfs/dbraw/zinc/30/05/72/915300572.db2.gz UJNBLLFXNSTUPX-UHFFFAOYSA-N 1 0 379.464 3.801 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3cc(Br)cs3)CC2)C1=O ZINC001275610797 915302391 /nfs/dbraw/zinc/30/23/91/915302391.db2.gz MOJOTJYUEILTCY-UHFFFAOYSA-N 1 0 396.354 3.629 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1 ZINC000303903537 915305592 /nfs/dbraw/zinc/30/55/92/915305592.db2.gz YLPDUFMJYRFNQJ-GOSISDBHSA-N 1 0 396.535 3.621 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000303991524 915350739 /nfs/dbraw/zinc/35/07/39/915350739.db2.gz ZOQRMZWPNGVEKB-HXUWFJFHSA-N 1 0 386.927 3.757 20 30 GHEDRO COc1ccccc1SC[C@@H](C)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304475666 915516305 /nfs/dbraw/zinc/51/63/05/915516305.db2.gz GQFXTXFNETZSDN-DOTOQJQBSA-N 1 0 385.533 3.852 20 30 GHEDRO [NH2+]=C(NCc1nc(C(F)(F)F)cs1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304736373 915666959 /nfs/dbraw/zinc/66/69/59/915666959.db2.gz ABEHHUNQXYAJSV-UHFFFAOYSA-N 1 0 398.332 3.665 20 30 GHEDRO [NH2+]=C(NCCCc1cccc(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000304739455 915668297 /nfs/dbraw/zinc/66/82/97/915668297.db2.gz BFOPEDZAUBLUKV-QGZVFWFLSA-N 1 0 388.309 3.810 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl ZINC000304752576 915670797 /nfs/dbraw/zinc/67/07/97/915670797.db2.gz KJEPDBODCANFEH-UHFFFAOYSA-N 1 0 392.246 3.979 20 30 GHEDRO [NH2+]=C(NCCc1cccs1)NCC1(c2cccc(Br)c2)CC1 ZINC000304756580 915672364 /nfs/dbraw/zinc/67/23/64/915672364.db2.gz NVHDCLMHNSXVBE-UHFFFAOYSA-N 1 0 378.339 3.689 20 30 GHEDRO CCOc1cc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)ccc1OC ZINC000304758229 915674047 /nfs/dbraw/zinc/67/40/47/915674047.db2.gz PSFGWBKLAVFDNN-UHFFFAOYSA-N 1 0 397.397 3.597 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 ZINC000304987159 915817098 /nfs/dbraw/zinc/81/70/98/915817098.db2.gz BQKKURPVCMSOCT-KRWDZBQOSA-N 1 0 382.508 3.519 20 30 GHEDRO CC[C@@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000305008256 915833842 /nfs/dbraw/zinc/83/38/42/915833842.db2.gz JNKKZACVBHQHNZ-MRXNPFEDSA-N 1 0 385.508 3.794 20 30 GHEDRO C[NH+]1CCN(Cc2ccccc2C(=O)Nc2sc3ccccc3c2C#N)CC1 ZINC001188338423 915896205 /nfs/dbraw/zinc/89/62/05/915896205.db2.gz NOGJGBKBWCJEAH-UHFFFAOYSA-N 1 0 390.512 3.773 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cc(Br)ccc3F)CC2)C1=O ZINC001275715406 916318183 /nfs/dbraw/zinc/31/81/83/916318183.db2.gz QYTJCTYUKGXBJS-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000360796323 916322799 /nfs/dbraw/zinc/32/27/99/916322799.db2.gz ZFTGTJLKWVXWRK-HSZRJFAPSA-N 1 0 376.500 3.548 20 30 GHEDRO N#Cc1ncc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1C(F)(F)F ZINC001189742275 916864989 /nfs/dbraw/zinc/86/49/89/916864989.db2.gz REFRDCULOVEYOK-UHFFFAOYSA-N 1 0 378.354 3.803 20 30 GHEDRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)CC2 ZINC000361907200 916972376 /nfs/dbraw/zinc/97/23/76/916972376.db2.gz KNHAUNQMIAPOHC-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000775337593 917035996 /nfs/dbraw/zinc/03/59/96/917035996.db2.gz JZXIIPZRZXAPMP-SCLBCKFNSA-N 1 0 380.366 3.872 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)[C@H]1CCCO1 ZINC000775342963 917060083 /nfs/dbraw/zinc/06/00/83/917060083.db2.gz UKUDEZDUIVNXOR-WOJBJXKFSA-N 1 0 381.472 3.553 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001190216131 917201398 /nfs/dbraw/zinc/20/13/98/917201398.db2.gz DNNZYFJJJCTIOO-FYYLOGMGSA-N 1 0 394.490 3.922 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=O)c2cccc(C#N)c2F)cc1 ZINC001190545422 917401189 /nfs/dbraw/zinc/40/11/89/917401189.db2.gz PZXCFWLAVPTUHH-IBGZPJMESA-N 1 0 395.478 3.833 20 30 GHEDRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)c2cccc(C#N)c2F)CC1 ZINC001190556581 917407266 /nfs/dbraw/zinc/40/72/66/917407266.db2.gz GBDDMRBSXOAFCU-UHFFFAOYSA-N 1 0 385.414 3.809 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000775398955 917416239 /nfs/dbraw/zinc/41/62/39/917416239.db2.gz OZDXOTYGVGSWRQ-YLJYHZDGSA-N 1 0 380.488 3.544 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000775398953 917416762 /nfs/dbraw/zinc/41/67/62/917416762.db2.gz OZDXOTYGVGSWRQ-PXNSSMCTSA-N 1 0 380.488 3.544 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000775401702 917460858 /nfs/dbraw/zinc/46/08/58/917460858.db2.gz YLWZNDQNDAGKGW-VXKWHMMOSA-N 1 0 392.499 3.722 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000295929162 917621286 /nfs/dbraw/zinc/62/12/86/917621286.db2.gz ILRVTYJPUHVUJU-NRFANRHFSA-N 1 0 395.551 3.808 20 30 GHEDRO CCCCCCCCNC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001191076674 917740866 /nfs/dbraw/zinc/74/08/66/917740866.db2.gz JBYFZIUEOUDERH-UHFFFAOYSA-N 1 0 398.592 3.635 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000796515154 917946754 /nfs/dbraw/zinc/94/67/54/917946754.db2.gz ZIGJOYRIDZABJH-UHFFFAOYSA-N 1 0 379.435 3.881 20 30 GHEDRO CCC[N@H+](C[C@@H](O)c1cccc(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001191634821 918086460 /nfs/dbraw/zinc/08/64/60/918086460.db2.gz BQNKEOTYEYZCRD-HXUWFJFHSA-N 1 0 387.524 3.703 20 30 GHEDRO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(OCC#N)cc2)C1 ZINC000796569667 918252114 /nfs/dbraw/zinc/25/21/14/918252114.db2.gz GBZHAYSDZJREHQ-QUCCMNQESA-N 1 0 385.508 3.812 20 30 GHEDRO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000796574758 918289230 /nfs/dbraw/zinc/28/92/30/918289230.db2.gz ZQYIZESDMYESRU-PMACEKPBSA-N 1 0 391.556 3.810 20 30 GHEDRO Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)CC2)nc1 ZINC000363669738 918640583 /nfs/dbraw/zinc/64/05/83/918640583.db2.gz BWWRPRKDQLXZPG-VXKWHMMOSA-N 1 0 388.515 3.905 20 30 GHEDRO Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(C[NH+](C)C)c1 ZINC000113912358 919383369 /nfs/dbraw/zinc/38/33/69/919383369.db2.gz RLTDIANZNCEBTB-UHFFFAOYSA-N 1 0 382.533 3.979 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000115319825 919447956 /nfs/dbraw/zinc/44/79/56/919447956.db2.gz DUZJCHDBTCTDMU-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)Nc1cccc(C#N)c1 ZINC001202790943 919471826 /nfs/dbraw/zinc/47/18/26/919471826.db2.gz LTJVHWFMKDNVLR-UHFFFAOYSA-N 1 0 393.491 3.741 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccco1 ZINC000116028328 919491272 /nfs/dbraw/zinc/49/12/72/919491272.db2.gz UORVMFJSGRSYJG-KRWDZBQOSA-N 1 0 380.448 3.656 20 30 GHEDRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000116363101 919503811 /nfs/dbraw/zinc/50/38/11/919503811.db2.gz GWJQNNBMZHQHAI-PZJWPPBQSA-N 1 0 393.535 3.637 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000282425758 919601297 /nfs/dbraw/zinc/60/12/97/919601297.db2.gz YFWNRRMUCMXQBG-SJLPKXTDSA-N 1 0 398.942 3.633 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000297725763 919667399 /nfs/dbraw/zinc/66/73/99/919667399.db2.gz NMOPMASINBGRFW-IFMALSPDSA-N 1 0 399.579 3.703 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000364726125 919909653 /nfs/dbraw/zinc/90/96/53/919909653.db2.gz WSLCJSMLLSVQAY-QFIPXVFZSA-N 1 0 395.547 3.984 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000800409510 920042643 /nfs/dbraw/zinc/04/26/43/920042643.db2.gz NIYWSSPIVBZMAF-QGZVFWFLSA-N 1 0 375.394 3.691 20 30 GHEDRO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000800543642 920261817 /nfs/dbraw/zinc/26/18/17/920261817.db2.gz GUBVPYJHWGZIDZ-IBGZPJMESA-N 1 0 378.520 3.688 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000800614477 920317066 /nfs/dbraw/zinc/31/70/66/920317066.db2.gz VVJAVQPHUOVODJ-UHFFFAOYSA-N 1 0 383.536 3.657 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3ncccc3Cl)CC2)CC1 ZINC000365410027 920752597 /nfs/dbraw/zinc/75/25/97/920752597.db2.gz LWXZZEQTZBGILI-UHFFFAOYSA-N 1 0 376.932 3.665 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000900990906 920785401 /nfs/dbraw/zinc/78/54/01/920785401.db2.gz DVVLLVRUDPDPHB-UHFFFAOYSA-N 1 0 391.924 3.778 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000298674586 920792900 /nfs/dbraw/zinc/79/29/00/920792900.db2.gz BRZXTIYNJWEZBN-KRWDZBQOSA-N 1 0 386.517 3.642 20 30 GHEDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000802140267 921855196 /nfs/dbraw/zinc/85/51/96/921855196.db2.gz HNDVKZMBAHNXAZ-NRFANRHFSA-N 1 0 380.444 3.617 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)NCC(C)(C)CCC#N)CC[N@@H+]2C2CC2)c1 ZINC000367587802 922215109 /nfs/dbraw/zinc/21/51/09/922215109.db2.gz KAFXKCDKBKITJH-PMACEKPBSA-N 1 0 384.524 3.602 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)c(F)c1 ZINC000367599046 922222960 /nfs/dbraw/zinc/22/29/60/922222960.db2.gz WSBVRMJUHVOBHP-LJQANCHMSA-N 1 0 395.434 3.566 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc(C#N)ccn1 ZINC000902766689 922485160 /nfs/dbraw/zinc/48/51/60/922485160.db2.gz PRTBUZVJULLZLO-GOEBONIOSA-N 1 0 385.309 3.893 20 30 GHEDRO CC[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cccc(C#N)c1 ZINC000902902700 922588975 /nfs/dbraw/zinc/58/89/75/922588975.db2.gz IHGOCEPPJJVLMX-JOCHJYFZSA-N 1 0 376.504 3.819 20 30 GHEDRO C#CCOc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803122261 922715629 /nfs/dbraw/zinc/71/56/29/922715629.db2.gz VLJGCVNPKVDYHT-SFHVURJKSA-N 1 0 384.426 3.795 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1 ZINC000803661257 923129748 /nfs/dbraw/zinc/12/97/48/923129748.db2.gz VINMSMVZPFESOD-UHFFFAOYSA-N 1 0 379.460 3.618 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010281228 924024783 /nfs/dbraw/zinc/02/47/83/924024783.db2.gz YTBNERQPBGJSCK-SFHVURJKSA-N 1 0 377.488 3.628 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000370557866 924167593 /nfs/dbraw/zinc/16/75/93/924167593.db2.gz LWHHJUYRUUXVHZ-AZUAARDMSA-N 1 0 392.434 3.660 20 30 GHEDRO Cc1ccc(N2CCC(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)CC2)nc1 ZINC000370631289 924219250 /nfs/dbraw/zinc/21/92/50/924219250.db2.gz NFCPWLYQRLFXHF-UHFFFAOYSA-N 1 0 386.499 3.794 20 30 GHEDRO N#CC1(NC(=O)c2cc(Cl)c(Cl)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000371528309 924635977 /nfs/dbraw/zinc/63/59/77/924635977.db2.gz KVHGHFSUPYNSLQ-UHFFFAOYSA-N 1 0 377.275 3.610 20 30 GHEDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)[nH]1 ZINC001137327710 924687670 /nfs/dbraw/zinc/68/76/70/924687670.db2.gz COTRFMFJAJVPIC-QHCPKHFHSA-N 1 0 378.520 3.622 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3F)CC2)C1=O ZINC001276065194 925101811 /nfs/dbraw/zinc/10/18/11/925101811.db2.gz DLBSPXCTDBRWFK-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO C=CCOCC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000679576514 925185867 /nfs/dbraw/zinc/18/58/67/925185867.db2.gz OVSUJYHZFHATTP-IBGZPJMESA-N 1 0 379.909 3.625 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(Cl)ccc(C)c3F)C2)C1=O ZINC001276076338 925256581 /nfs/dbraw/zinc/25/65/81/925256581.db2.gz ATEJQOHSCXAPBO-HXUWFJFHSA-N 1 0 378.875 3.705 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C1CCOCC1 ZINC000827559296 925808880 /nfs/dbraw/zinc/80/88/80/925808880.db2.gz DQUILTNGJCPGRU-JOCHJYFZSA-N 1 0 393.483 3.570 20 30 GHEDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000681700347 925884898 /nfs/dbraw/zinc/88/48/98/925884898.db2.gz FOHOQKHWFBAVKV-FQEVSTJZSA-N 1 0 386.373 3.533 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000827787480 925980198 /nfs/dbraw/zinc/98/01/98/925980198.db2.gz NREVQKIQWKHYPH-MRXNPFEDSA-N 1 0 391.368 3.720 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000827863188 926093702 /nfs/dbraw/zinc/09/37/02/926093702.db2.gz CVEXPIOZVOFQBC-KRWDZBQOSA-N 1 0 388.855 3.556 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2occc2CSc2ccccc2)c1C#N ZINC000133281220 926167261 /nfs/dbraw/zinc/16/72/61/926167261.db2.gz PRBLLRQKBIGPBJ-UHFFFAOYSA-N 1 0 395.488 3.571 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCSc2ccc(Cl)cc2)c1C#N ZINC000133357874 926213198 /nfs/dbraw/zinc/21/31/98/926213198.db2.gz RGFSVLXENHESCT-UHFFFAOYSA-N 1 0 391.928 3.598 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3(CCO)CCCCC3)sc2C1 ZINC000411395553 926351321 /nfs/dbraw/zinc/35/13/21/926351321.db2.gz VPLDFYUZUUDLTI-OAHLLOKOSA-N 1 0 389.565 3.748 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000411410915 926371702 /nfs/dbraw/zinc/37/17/02/926371702.db2.gz UFEBQKTZMKWRMT-DLBZAZTESA-N 1 0 393.940 3.527 20 30 GHEDRO C=CCN(C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)C(C)C ZINC000726280219 926618284 /nfs/dbraw/zinc/61/82/84/926618284.db2.gz VAQBDLYRBVUZJU-QGZVFWFLSA-N 1 0 376.520 3.635 20 30 GHEDRO C[NH+](C)CCOc1ccc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000726426391 926657640 /nfs/dbraw/zinc/65/76/40/926657640.db2.gz WTOMAXRHKSRPEZ-UHFFFAOYSA-N 1 0 376.382 3.963 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411731577 926708050 /nfs/dbraw/zinc/70/80/50/926708050.db2.gz QYDJKHUCLSODMS-YUXAGFNASA-N 1 0 377.488 3.828 20 30 GHEDRO COC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411804434 926796385 /nfs/dbraw/zinc/79/63/85/926796385.db2.gz GSLHWNSCJGNDLA-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccccc1N1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411823039 926827383 /nfs/dbraw/zinc/82/73/83/926827383.db2.gz BTFUCDFUQFKIAN-UHFFFAOYSA-N 1 0 388.515 3.507 20 30 GHEDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000411962185 926950259 /nfs/dbraw/zinc/95/02/59/926950259.db2.gz AZESYQDDSNBYDH-OPAMFIHVSA-N 1 0 386.540 3.823 20 30 GHEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)n2c1 ZINC000374274584 926963978 /nfs/dbraw/zinc/96/39/78/926963978.db2.gz ZJYCQMHDEYTPTG-HNNXBMFYSA-N 1 0 375.407 3.866 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000412073290 927070005 /nfs/dbraw/zinc/07/00/05/927070005.db2.gz HWFIREOTKZMKQH-UTKZUKDTSA-N 1 0 380.488 3.739 20 30 GHEDRO Cc1nn(-c2ccccc2)c(Cl)c1CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000749790601 927270862 /nfs/dbraw/zinc/27/08/62/927270862.db2.gz IVAVSKNOZFZQPB-UHFFFAOYSA-N 1 0 397.910 3.733 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000750598090 927741656 /nfs/dbraw/zinc/74/16/56/927741656.db2.gz ZYXLZDDVMOYPRQ-PGRDOPGGSA-N 1 0 377.488 3.731 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000466978685 928560598 /nfs/dbraw/zinc/56/05/98/928560598.db2.gz HTTOSSFFUDBVDT-APWZRJJASA-N 1 0 379.508 3.899 20 30 GHEDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000752279395 928727048 /nfs/dbraw/zinc/72/70/48/928727048.db2.gz BXLKPYOQCLUBGD-UHFFFAOYSA-N 1 0 387.430 3.628 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1C#N ZINC000752299460 928740034 /nfs/dbraw/zinc/74/00/34/928740034.db2.gz NWBXAZLIXTXRJY-UHFFFAOYSA-N 1 0 387.484 3.561 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C(CC)CC)[NH+](C)C)cc1C#N ZINC000752304907 928743733 /nfs/dbraw/zinc/74/37/33/928743733.db2.gz KJUHFMQQQYWZKV-SFHVURJKSA-N 1 0 389.500 3.615 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000467294649 928925655 /nfs/dbraw/zinc/92/56/55/928925655.db2.gz BLQFSSOJGMBCQL-ZIAGYGMSSA-N 1 0 383.305 3.976 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(-c4ccccc4)ccc3O)C2=O)cc1 ZINC000752925426 929094154 /nfs/dbraw/zinc/09/41/54/929094154.db2.gz KVENUMNQCRUSCJ-QHCPKHFHSA-N 1 0 397.478 3.822 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)c2ccccc2OCC#N)C[N@@H+]1Cc1ccccc1 ZINC000753149169 929229274 /nfs/dbraw/zinc/22/92/74/929229274.db2.gz IADFZORJSUQVIS-AZUAARDMSA-N 1 0 377.488 3.619 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000467712673 929327539 /nfs/dbraw/zinc/32/75/39/929327539.db2.gz DSUFVCLICFWOSM-XOBRGWDASA-N 1 0 379.435 3.702 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2nc3ccccc3c(=O)[nH]2)c1C ZINC000757583932 929735618 /nfs/dbraw/zinc/73/56/18/929735618.db2.gz ONQMTBNTJCLUAK-SFHVURJKSA-N 1 0 392.507 3.684 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(C#N)cc2OC)[NH+]2CCCC2)c1 ZINC000546001847 929760905 /nfs/dbraw/zinc/76/09/05/929760905.db2.gz LOZARZWNSMSDBC-FQEVSTJZSA-N 1 0 394.475 3.534 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)CC1(C#N)CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000546059472 929814381 /nfs/dbraw/zinc/81/43/81/929814381.db2.gz LJSIEFFECHJVBP-SFHVURJKSA-N 1 0 391.581 3.899 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000469444261 929896877 /nfs/dbraw/zinc/89/68/77/929896877.db2.gz IRZKUYFFICAZKV-LJQANCHMSA-N 1 0 384.426 3.756 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000758191753 929967833 /nfs/dbraw/zinc/96/78/33/929967833.db2.gz MVJWTIMMRPTQSA-UWJYYQICSA-N 1 0 394.515 3.825 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000469602518 930020437 /nfs/dbraw/zinc/02/04/37/930020437.db2.gz ISROSBZKYSBMGC-UHFFFAOYSA-N 1 0 378.341 3.616 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000546305494 930041388 /nfs/dbraw/zinc/04/13/88/930041388.db2.gz QXCRAZDMAZNBSF-IERDGZPVSA-N 1 0 395.478 3.670 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1 ZINC000758579218 930090205 /nfs/dbraw/zinc/09/02/05/930090205.db2.gz FGHSRBUKYWXJJK-VSDWSMLSSA-N 1 0 382.479 3.980 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000759049542 930257014 /nfs/dbraw/zinc/25/70/14/930257014.db2.gz HPQXXOLRAFWSSP-UHFFFAOYSA-O 1 0 385.512 3.999 20 30 GHEDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000469990750 930299269 /nfs/dbraw/zinc/29/92/69/930299269.db2.gz JQWQGWVUNIIGHF-HSZRJFAPSA-N 1 0 394.471 3.531 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000546711181 930373454 /nfs/dbraw/zinc/37/34/54/930373454.db2.gz HVJJCUJLBBBVTF-LPHOPBHVSA-N 1 0 378.476 3.741 20 30 GHEDRO CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000546762106 930412154 /nfs/dbraw/zinc/41/21/54/930412154.db2.gz LJQJMGMGZOSOKO-GCJKJVERSA-N 1 0 376.504 3.925 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000470163891 930421522 /nfs/dbraw/zinc/42/15/22/930421522.db2.gz PIAPCDKSRZQGOP-QFIPXVFZSA-N 1 0 389.499 3.884 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)[C@H]1OC ZINC000759605884 930423060 /nfs/dbraw/zinc/42/30/60/930423060.db2.gz SPZBXWFVQOJXSW-BVIFKLCGSA-N 1 0 392.503 3.653 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSCc1ccccc1 ZINC000470827374 930947458 /nfs/dbraw/zinc/94/74/58/930947458.db2.gz MYPPGILFXJSKDD-UHFFFAOYSA-N 1 0 381.545 3.772 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000547416224 930995510 /nfs/dbraw/zinc/99/55/10/930995510.db2.gz KUAPLXKTMIXSKB-LJQANCHMSA-N 1 0 378.476 3.695 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 ZINC000782027435 931064874 /nfs/dbraw/zinc/06/48/74/931064874.db2.gz LJYRIQGIVRMZKD-GOSISDBHSA-N 1 0 390.409 3.671 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000782544326 931264131 /nfs/dbraw/zinc/26/41/31/931264131.db2.gz HGIBKZMJFNZKRA-UHFFFAOYSA-N 1 0 381.867 3.734 20 30 GHEDRO COc1ccc(C2(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)CCCCC2)cc1 ZINC000557219870 931279672 /nfs/dbraw/zinc/27/96/72/931279672.db2.gz LUWDXVQHGPNPIC-NRFANRHFSA-N 1 0 394.515 3.798 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCNC(=O)c2cccc(F)c2)CC1 ZINC000557263811 931309341 /nfs/dbraw/zinc/30/93/41/931309341.db2.gz ZKPZLAPXYIHEFD-UHFFFAOYSA-N 1 0 379.479 3.939 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nc3cc(Cl)ccc3s2)cc1 ZINC000557408258 931408885 /nfs/dbraw/zinc/40/88/85/931408885.db2.gz MSLZONQJPMOPAN-HNNXBMFYSA-N 1 0 387.892 3.545 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000557517123 931513112 /nfs/dbraw/zinc/51/31/12/931513112.db2.gz DWFMLOOKJJSIHR-ZHRRBRCNSA-N 1 0 395.528 3.826 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H](O)c1ccsc1 ZINC000925111618 931650583 /nfs/dbraw/zinc/65/05/83/931650583.db2.gz RZFKCBYCRDUCLK-DOTOQJQBSA-N 1 0 393.553 3.691 20 30 GHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000558255605 931906413 /nfs/dbraw/zinc/90/64/13/931906413.db2.gz DHVVWWOJPLTUIQ-AEFFLSMTSA-N 1 0 397.441 3.963 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925897337 931942786 /nfs/dbraw/zinc/94/27/86/931942786.db2.gz NDCJGYXOFQYEOZ-OAQYLSRUSA-N 1 0 379.508 3.568 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)cc1C#N ZINC000784588665 931951000 /nfs/dbraw/zinc/95/10/00/931951000.db2.gz SRGIRUAAHRAZDZ-UHFFFAOYSA-N 1 0 385.265 3.575 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000558628953 932122569 /nfs/dbraw/zinc/12/25/69/932122569.db2.gz BONZPLDYWJCZMA-UHFFFAOYSA-N 1 0 386.293 3.780 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000558672833 932156400 /nfs/dbraw/zinc/15/64/00/932156400.db2.gz SYCTUPVKVWUABF-OALUTQOASA-N 1 0 380.540 3.617 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000926583407 932235517 /nfs/dbraw/zinc/23/55/17/932235517.db2.gz GYKFRWDYTHFPTO-OWSLCNJRSA-N 1 0 379.545 3.709 20 30 GHEDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926668712 932267441 /nfs/dbraw/zinc/26/74/41/932267441.db2.gz KFWXXRAGNXOLMQ-QZTJIDSGSA-N 1 0 386.540 3.922 20 30 GHEDRO COCC(C)(C)CC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926822981 932318583 /nfs/dbraw/zinc/31/85/83/932318583.db2.gz QYPZBBCVNNCDSI-QGZVFWFLSA-N 1 0 381.561 3.958 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000926862211 932329941 /nfs/dbraw/zinc/32/99/41/932329941.db2.gz WNNTYJJVDGGAMM-HMFYCAOWSA-N 1 0 391.556 3.997 20 30 GHEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000558990264 932358532 /nfs/dbraw/zinc/35/85/32/932358532.db2.gz PXDSMKHEXDTUQJ-UHFFFAOYSA-N 1 0 385.581 3.623 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000559293500 932581876 /nfs/dbraw/zinc/58/18/76/932581876.db2.gz XFFCBNVPVBVWKQ-JOCHJYFZSA-N 1 0 388.467 3.667 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000798428560 932643974 /nfs/dbraw/zinc/64/39/74/932643974.db2.gz GXCYBHOHHKADBV-WZONZLPQSA-N 1 0 376.504 3.831 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000798499402 932674514 /nfs/dbraw/zinc/67/45/14/932674514.db2.gz RHPHQYLQKRGIRW-INIZCTEOSA-N 1 0 385.895 3.757 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(CO)CCC1 ZINC000559443722 932680074 /nfs/dbraw/zinc/68/00/74/932680074.db2.gz RRRQSSMCNCKKOK-LJQANCHMSA-N 1 0 389.565 3.604 20 30 GHEDRO C[C@]1(CNC(=O)CSc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798525054 932688076 /nfs/dbraw/zinc/68/80/76/932688076.db2.gz LCDGHEVBJKQDIV-JOCHJYFZSA-N 1 0 379.529 3.679 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000799164495 932895442 /nfs/dbraw/zinc/89/54/42/932895442.db2.gz KMCRWRBDTRIAMA-MSOLQXFVSA-N 1 0 379.545 3.760 20 30 GHEDRO COc1cc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)ccc1C#N ZINC000799341576 932958267 /nfs/dbraw/zinc/95/82/67/932958267.db2.gz RPDLAPMFDVKFPI-KRWDZBQOSA-N 1 0 384.785 3.760 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000799405485 932991556 /nfs/dbraw/zinc/99/15/56/932991556.db2.gz YGLFPOUABDLOEE-UHFFFAOYSA-N 1 0 388.487 3.896 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000561137718 933905818 /nfs/dbraw/zinc/90/58/18/933905818.db2.gz KYJVFJLFAPXPPA-YLJYHZDGSA-N 1 0 390.405 3.984 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccnc1 ZINC000930249976 933938752 /nfs/dbraw/zinc/93/87/52/933938752.db2.gz VWPPCWITMXEFJW-KRWDZBQOSA-N 1 0 391.397 3.787 20 30 GHEDRO C#CC1(O)CC[NH+](CCCC(=O)Nc2c(CC)ccc(Cl)c2CC)CC1 ZINC000931148506 934399196 /nfs/dbraw/zinc/39/91/96/934399196.db2.gz YRVJPYIPSPRTOT-UHFFFAOYSA-N 1 0 376.928 3.644 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)C1 ZINC000561764339 934432763 /nfs/dbraw/zinc/43/27/63/934432763.db2.gz HXDMWDMEXKLEKH-JOCHJYFZSA-N 1 0 379.435 3.657 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)C1CC[NH+](C)CC1 ZINC001120274600 934452866 /nfs/dbraw/zinc/45/28/66/934452866.db2.gz BJWGBPNZNYAILF-UHFFFAOYSA-N 1 0 383.879 3.697 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC001120512145 934469279 /nfs/dbraw/zinc/46/92/79/934469279.db2.gz ZQYYTPZNABBRIJ-ICSRJNTNSA-N 1 0 384.524 3.561 20 30 GHEDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000931596909 934635909 /nfs/dbraw/zinc/63/59/09/934635909.db2.gz OBGIPOYJAKADJQ-YJBOKZPZSA-N 1 0 380.517 3.687 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCS[C@@H](c2ccccc2)C1 ZINC001121619901 934717424 /nfs/dbraw/zinc/71/74/24/934717424.db2.gz GLHUZCGECIXGCG-LJQANCHMSA-N 1 0 383.565 3.568 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121694282 934741886 /nfs/dbraw/zinc/74/18/86/934741886.db2.gz YLKPLMLIJMJHKZ-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO COc1cc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1C#N ZINC000562254197 934789845 /nfs/dbraw/zinc/78/98/45/934789845.db2.gz APXJLAQYZQAUSN-UHFFFAOYSA-N 1 0 384.524 3.555 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5c(s4)CCC5)C3)o2)c1 ZINC000932194260 934846837 /nfs/dbraw/zinc/84/68/37/934846837.db2.gz PKHQPUYIWUNKIU-MRXNPFEDSA-N 1 0 391.500 3.933 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001122420981 934865587 /nfs/dbraw/zinc/86/55/87/934865587.db2.gz IYMYPTJCYRIDKM-LJQANCHMSA-N 1 0 395.551 3.519 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001122549294 934897021 /nfs/dbraw/zinc/89/70/21/934897021.db2.gz AHOFIINAOYRFQP-HKUYNNGSSA-N 1 0 398.555 3.908 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001122575545 934905567 /nfs/dbraw/zinc/90/55/67/934905567.db2.gz LIHRCYWCVWCGTF-RLLQIKCJSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001122620436 934923212 /nfs/dbraw/zinc/92/32/12/934923212.db2.gz GKQJXATUGYYHLK-UHFFFAOYSA-N 1 0 386.588 3.895 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001122638140 934929786 /nfs/dbraw/zinc/92/97/86/934929786.db2.gz AWAVFJBKHFNVIA-UHFFFAOYSA-N 1 0 382.556 3.844 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001122705911 934956158 /nfs/dbraw/zinc/95/61/58/934956158.db2.gz DTYIOFAYBMHZED-UAFMIMERSA-N 1 0 384.572 3.652 20 30 GHEDRO CN(c1nnc(C(C)(C)CC#N)n1CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001123587994 935230120 /nfs/dbraw/zinc/23/01/20/935230120.db2.gz DVSIIMLIFXTQNX-FQEVSTJZSA-N 1 0 392.551 3.590 20 30 GHEDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137633072 935648433 /nfs/dbraw/zinc/64/84/33/935648433.db2.gz ZBLAPENOSLYFCC-SFHVURJKSA-N 1 0 379.298 3.876 20 30 GHEDRO COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(C#N)cc1Br)C2 ZINC001137635626 935651167 /nfs/dbraw/zinc/65/11/67/935651167.db2.gz NKVYYYRFIATREE-LPHOPBHVSA-N 1 0 393.325 3.728 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cccc(F)c1Br)C2 ZINC001137719840 935745954 /nfs/dbraw/zinc/74/59/54/935745954.db2.gz PHPBQRPHYRLIRC-YJBOKZPZSA-N 1 0 384.289 3.914 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)cc1 ZINC001137899714 935854325 /nfs/dbraw/zinc/85/43/25/935854325.db2.gz DCYPJHNUXREAKV-XMMPIXPASA-N 1 0 388.515 3.913 20 30 GHEDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CC1 ZINC001137902389 935856415 /nfs/dbraw/zinc/85/64/15/935856415.db2.gz AGJSNXRLFLPDMK-UHFFFAOYSA-N 1 0 376.504 3.769 20 30 GHEDRO CCC(=O)NC1CC[NH+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CC1 ZINC001137902796 935856617 /nfs/dbraw/zinc/85/66/17/935856617.db2.gz SFRGGDWRITXEMT-UHFFFAOYSA-N 1 0 376.504 3.817 20 30 GHEDRO N#CCOc1ccc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)cc1 ZINC000829830422 935869938 /nfs/dbraw/zinc/86/99/38/935869938.db2.gz SLXTWLSUPWWSRL-GOSISDBHSA-N 1 0 380.366 3.701 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(OC)ccc1F)CC2 ZINC001137991743 935912250 /nfs/dbraw/zinc/91/22/50/935912250.db2.gz SFHRSUWLZOEGTE-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CCOc3ccccc3C#N)C[C@@H]1CCCC2 ZINC001460978371 1069311755 /nfs/dbraw/zinc/31/17/55/1069311755.db2.gz UPHPPLSFVSMEPE-WMZHIEFXSA-N 1 0 399.535 3.954 20 30 GHEDRO CC1(CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)CCCCC1 ZINC000329061922 1014499386 /nfs/dbraw/zinc/49/93/86/1014499386.db2.gz NRJDXLYIBVERCP-VQTJNVASSA-N 1 0 383.536 3.902 20 30 GHEDRO C#CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCCc2ccccc21 ZINC001220747967 1032098080 /nfs/dbraw/zinc/09/80/80/1032098080.db2.gz ODYASEIGQJNULH-QHCPKHFHSA-N 1 0 375.516 3.971 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CCO)C2CCCCC2)ccc1Cl ZINC000544896964 1015173344 /nfs/dbraw/zinc/17/33/44/1015173344.db2.gz LMPFBPSBPZJFEM-HXUWFJFHSA-N 1 0 391.943 3.816 20 30 GHEDRO CC[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000545397721 1015840059 /nfs/dbraw/zinc/84/00/59/1015840059.db2.gz KKECTJIIBVBVQP-PXNSSMCTSA-N 1 0 394.519 3.692 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)ccc1OC1CCCC1 ZINC000468893427 1016178095 /nfs/dbraw/zinc/17/80/95/1016178095.db2.gz HBJMSJLFQXYQEJ-JKSUJKDBSA-N 1 0 385.508 3.618 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000470624127 1016841878 /nfs/dbraw/zinc/84/18/78/1016841878.db2.gz IPBCOVGOAQLDAV-KRWDZBQOSA-N 1 0 385.533 3.758 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)NCC#Cc2ccccc2)[NH+](C)C)cc1 ZINC001220936451 1032197738 /nfs/dbraw/zinc/19/77/38/1032197738.db2.gz IZLUDGCKMPHULN-HSZRJFAPSA-N 1 0 377.532 3.839 20 30 GHEDRO C=CCCOc1ccc(C(=O)NC2(c3cccc(OC)c3)CC[NH2+]CC2)cc1 ZINC001221098536 1032284422 /nfs/dbraw/zinc/28/44/22/1032284422.db2.gz IEVLKCGSRGAHEU-UHFFFAOYSA-N 1 0 380.488 3.659 20 30 GHEDRO C#CC1(NC(=O)C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CCCCC1 ZINC001221276436 1032356788 /nfs/dbraw/zinc/35/67/88/1032356788.db2.gz YHWDKDPRCZTYLZ-UHFFFAOYSA-N 1 0 378.438 3.779 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(Cl)c1C)C2 ZINC001277198234 1032367849 /nfs/dbraw/zinc/36/78/49/1032367849.db2.gz MSLYOIJCWVXDKK-NRFANRHFSA-N 1 0 376.928 3.584 20 30 GHEDRO C#CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3sc4scc(C)c4c3C)C2)C1=O ZINC001277200511 1032379722 /nfs/dbraw/zinc/37/97/22/1032379722.db2.gz GHESCRKCSLMZOB-FQEVSTJZSA-N 1 0 386.542 3.554 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001227478796 1032435779 /nfs/dbraw/zinc/43/57/79/1032435779.db2.gz FDFQVBWTDUQAGG-BFRACDOUSA-N 1 0 397.563 3.568 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001227478806 1032435942 /nfs/dbraw/zinc/43/59/42/1032435942.db2.gz FDFQVBWTDUQAGG-SPHOGXRMSA-N 1 0 397.563 3.568 20 30 GHEDRO C[C@@H](C[NH+](C)C)Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 ZINC001227592453 1032476557 /nfs/dbraw/zinc/47/65/57/1032476557.db2.gz AZPYVPQGMVMZRR-ODSKELCSSA-N 1 0 393.483 3.976 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@@]34CCC[C@@H]3[NH2+]CC4)c(Cl)nn2)c1 ZINC001155409267 1032532845 /nfs/dbraw/zinc/53/28/45/1032532845.db2.gz QIZJDBRGTPOQJJ-FUHWJXTLSA-N 1 0 389.837 3.592 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](Nc1nc(Cl)c(C#N)cc1C#N)CC21CC[NH2+]CC1 ZINC001155436707 1032541678 /nfs/dbraw/zinc/54/16/78/1032541678.db2.gz PTBXULNQTGVUAW-SFHVURJKSA-N 1 0 377.879 3.965 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)nn2C)ccc1OC ZINC000925398407 1017078585 /nfs/dbraw/zinc/07/85/85/1017078585.db2.gz XFACWAPAMPDLHL-CEWLAPEOSA-N 1 0 396.535 3.919 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cnn(C2CCCC2)c1 ZINC000558620941 1017242966 /nfs/dbraw/zinc/24/29/66/1017242966.db2.gz ZNZLRFFHQFWSCX-IERDGZPVSA-N 1 0 377.492 3.716 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000926859551 1017318048 /nfs/dbraw/zinc/31/80/48/1017318048.db2.gz HXRXUQDAPBMARR-QZTJIDSGSA-N 1 0 391.556 3.997 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000559011658 1017336116 /nfs/dbraw/zinc/33/61/16/1017336116.db2.gz TZIHMBOOFXMTIK-WIYYLYMNSA-N 1 0 395.551 3.686 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nnc1SCCCN1CC[NH+](C(C)C)CC1 ZINC000559980861 1017524615 /nfs/dbraw/zinc/52/46/15/1017524615.db2.gz ZTBBOCXGTAQSGM-UHFFFAOYSA-N 1 0 399.608 3.563 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)[C@@H](C)CCO)c1 ZINC000560855920 1017739646 /nfs/dbraw/zinc/73/96/46/1017739646.db2.gz SQRHKZCEGAOQFK-NRFANRHFSA-N 1 0 393.531 3.823 20 30 GHEDRO C=CCC1([NH2+]C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CCCC1 ZINC000931021484 1017916453 /nfs/dbraw/zinc/91/64/53/1017916453.db2.gz KJSBPDIWWVJKFR-GOSISDBHSA-N 1 0 396.453 3.646 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4c[nH]c5ncccc45)C3)o2)c1 ZINC000931367832 1017964962 /nfs/dbraw/zinc/96/49/62/1017964962.db2.gz HCPRALMZTQDBGA-KRWDZBQOSA-N 1 0 384.443 3.864 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562367658 1018126174 /nfs/dbraw/zinc/12/61/74/1018126174.db2.gz JNZIOZPJHQSPGD-UKRRQHHQSA-N 1 0 395.528 3.678 20 30 GHEDRO C[C@@H](COCC1CCCCC1)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932425201 1018292802 /nfs/dbraw/zinc/29/28/02/1018292802.db2.gz SWVGVLSRNXVJKU-LPHOPBHVSA-N 1 0 392.503 3.799 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000562592942 1018364896 /nfs/dbraw/zinc/36/48/96/1018364896.db2.gz LFAYENOIDHOUAL-UTKZUKDTSA-N 1 0 376.460 3.827 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(CC#N)cc1)CC2 ZINC000932673916 1018575490 /nfs/dbraw/zinc/57/54/90/1018575490.db2.gz RDYHGWYJIXKFNT-FQEVSTJZSA-N 1 0 399.535 3.648 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](CCCCC1(C#N)CCC1)CCO2 ZINC000932708100 1018597955 /nfs/dbraw/zinc/59/79/55/1018597955.db2.gz IIBBPAIHEDFLQU-UHFFFAOYSA-N 1 0 391.556 3.952 20 30 GHEDRO C[C@H](Cc1ccc(F)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000778114786 1018616034 /nfs/dbraw/zinc/61/60/34/1018616034.db2.gz OGKLNXGCHTXKSX-GOSISDBHSA-N 1 0 379.479 3.679 20 30 GHEDRO FC1(F)[C@H]2CN(CC[NH+]3CCCCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932947939 1018779737 /nfs/dbraw/zinc/77/97/37/1018779737.db2.gz IKIKDDSNQZWECR-PHIMTYICSA-N 1 0 380.323 3.575 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc4occ(Br)c4c3)C2)C1=O ZINC001276458441 1032804504 /nfs/dbraw/zinc/80/45/04/1032804504.db2.gz LEEJERLERRBXKN-IBGZPJMESA-N 1 0 389.293 3.806 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000564374682 1019062287 /nfs/dbraw/zinc/06/22/87/1019062287.db2.gz ZXBSODCGXSNOQG-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001204371227 1032812409 /nfs/dbraw/zinc/81/24/09/1032812409.db2.gz UAKMXZPXTLCUNO-QHCPKHFHSA-N 1 0 377.463 3.712 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000567685714 1019331850 /nfs/dbraw/zinc/33/18/50/1019331850.db2.gz JRUDVEOGRRVZGU-XLIONFOSSA-N 1 0 386.879 3.649 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000570173896 1019564104 /nfs/dbraw/zinc/56/41/04/1019564104.db2.gz OIQPUTJPHYCHTG-HKUYNNGSSA-N 1 0 398.304 3.652 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000574900366 1019916957 /nfs/dbraw/zinc/91/69/57/1019916957.db2.gz NYNSYZSAUYQMPS-GOSISDBHSA-N 1 0 384.505 3.713 20 30 GHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)COc3ccccc3C#N)s2)cs1 ZINC000600718829 1020222409 /nfs/dbraw/zinc/22/24/09/1020222409.db2.gz SFEUVTHGXPUBDT-INIZCTEOSA-N 1 0 399.541 3.624 20 30 GHEDRO N#Cc1ccc(-c2cccc(-c3ccc(CN4CC[NH2+]CC4)s3)c2)c(CO)c1 ZINC000600780891 1020251461 /nfs/dbraw/zinc/25/14/61/1020251461.db2.gz QGDDGRGJHFZNNK-UHFFFAOYSA-N 1 0 389.524 3.851 20 30 GHEDRO CC1(C(=O)N2CCc3c(CC#N)cccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000600787004 1020254349 /nfs/dbraw/zinc/25/43/49/1020254349.db2.gz WNYMDTRCLBBLGR-UHFFFAOYSA-N 1 0 387.527 3.940 20 30 GHEDRO CCOc1cc(C#N)cc(Br)c1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001228423342 1032930114 /nfs/dbraw/zinc/93/01/14/1032930114.db2.gz HXKIJBXQMBZNRX-HALDLXJZSA-N 1 0 379.298 3.829 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000779510463 1020837844 /nfs/dbraw/zinc/83/78/44/1020837844.db2.gz MHELNGCTUGZJLE-NZQKXSOJSA-N 1 0 398.551 3.516 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192421537 1020874266 /nfs/dbraw/zinc/87/42/66/1020874266.db2.gz QBJRQMVYAIVPSP-UHFFFAOYSA-N 1 0 391.397 3.568 20 30 GHEDRO Cc1cc(Br)c(O[C@H](CC#N)C[N+](C)(C)C)c(Br)c1 ZINC001228449147 1032940662 /nfs/dbraw/zinc/94/06/62/1032940662.db2.gz RQTXMJUQQFVSAN-LLVKDONJSA-N 1 0 391.127 3.887 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634341145 1020947979 /nfs/dbraw/zinc/94/79/79/1020947979.db2.gz MSFZLEAXVZWMOS-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO Cc1cc2oc(=O)cc(CN3CCN([C@@H](C#N)c4ccccc4)CC3)c2cc1C ZINC000302815104 1021126804 /nfs/dbraw/zinc/12/68/04/1021126804.db2.gz ZXNIOCTXAKMWRL-QFIPXVFZSA-N 1 0 387.483 3.792 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3c(Br)cccc3C#N)c2)CC1 ZINC001204565124 1032975945 /nfs/dbraw/zinc/97/59/45/1032975945.db2.gz UVZDJTUIKIDFOJ-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCC[C@H](CCO)C2)c2cc(C#N)ccc21 ZINC001140439831 1021711951 /nfs/dbraw/zinc/71/19/51/1021711951.db2.gz QRNARAAVUUBCTO-MRXNPFEDSA-N 1 0 383.492 3.891 20 30 GHEDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140440094 1021712563 /nfs/dbraw/zinc/71/25/63/1021712563.db2.gz XKOHZVMRAZEYGN-HDICACEKSA-N 1 0 380.492 3.575 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[NH+]3CCC2CC3)c2cc(C#N)ccc21 ZINC001140440722 1021714091 /nfs/dbraw/zinc/71/40/91/1021714091.db2.gz GNSJGSAQBKQODM-UHFFFAOYSA-N 1 0 380.492 3.576 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]CC(C)(C)CCC#N)sc2C1 ZINC000835052539 1021819551 /nfs/dbraw/zinc/81/95/51/1021819551.db2.gz FWSDPHFWYSKHKX-UHFFFAOYSA-N 1 0 378.542 3.856 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[NH+]3CCC(CC#N)CC3)c2)CC1 ZINC001140519491 1021910793 /nfs/dbraw/zinc/91/07/93/1021910793.db2.gz BTXUHKXRPIQOGV-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4cc(C#N)ccc4Cl)C3)CC2=O)cc1 ZINC001140600078 1022045155 /nfs/dbraw/zinc/04/51/55/1022045155.db2.gz AXLPJWZHMNQTPG-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)NC(C)C)cc1)[C@H]2CC ZINC001140614244 1022073006 /nfs/dbraw/zinc/07/30/06/1022073006.db2.gz GEYSTDJWCNHECM-URXFXBBRSA-N 1 0 397.563 3.746 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2ccc(C3(C#N)CCC3)cn2)C1 ZINC001156466610 1033048053 /nfs/dbraw/zinc/04/80/53/1033048053.db2.gz RWRVJSPPHGEBTI-LJQANCHMSA-N 1 0 386.616 3.898 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000754726334 1022860468 /nfs/dbraw/zinc/86/04/68/1022860468.db2.gz PPJLMIATFFKPFC-UHFFFAOYSA-N 1 0 386.536 3.744 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000754728045 1022862115 /nfs/dbraw/zinc/86/21/15/1022862115.db2.gz WFXXEVGHRRKMHJ-UHFFFAOYSA-N 1 0 376.497 3.572 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c(OC)c1 ZINC000754727617 1022863951 /nfs/dbraw/zinc/86/39/51/1022863951.db2.gz KNJCDBNQCQIFPB-UHFFFAOYSA-N 1 0 376.497 3.572 20 30 GHEDRO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001140963723 1023022798 /nfs/dbraw/zinc/02/27/98/1023022798.db2.gz FMTIZIJCILKHJG-UHFFFAOYSA-N 1 0 390.409 3.873 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2ccc(-c3ccccn3)s2)CC1 ZINC001141006779 1023177912 /nfs/dbraw/zinc/17/79/12/1023177912.db2.gz JUDATWRBNHVHPS-UHFFFAOYSA-N 1 0 382.577 3.602 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755876984 1023415804 /nfs/dbraw/zinc/41/58/04/1023415804.db2.gz ABGXMIHBLKCQDF-WFXMLNOXSA-N 1 0 378.472 3.779 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000755978737 1023461098 /nfs/dbraw/zinc/46/10/98/1023461098.db2.gz DKXQYRKZVWLYKQ-GOTSBHOMSA-N 1 0 391.515 3.543 20 30 GHEDRO C#CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000757009423 1023906611 /nfs/dbraw/zinc/90/66/11/1023906611.db2.gz UJGXEPFTOYMLEF-JOCHJYFZSA-N 1 0 379.479 3.854 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)C12CCCC2 ZINC000831021650 1024312202 /nfs/dbraw/zinc/31/22/02/1024312202.db2.gz JJYXMRFCWWKTTD-GOSISDBHSA-N 1 0 391.556 3.999 20 30 GHEDRO O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1c(F)c(F)cc(F)c1F)CC2 ZINC001138237988 1024438400 /nfs/dbraw/zinc/43/84/00/1024438400.db2.gz CUJZMKAXWJLFNE-UHFFFAOYSA-N 1 0 398.322 3.620 20 30 GHEDRO C(#Cc1ccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)cc1)c1ccccc1 ZINC001138335270 1024696683 /nfs/dbraw/zinc/69/66/83/1024696683.db2.gz KNRZWSNPHHAYFD-JWQCQUIFSA-N 1 0 394.522 3.835 20 30 GHEDRO C#CCOc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC ZINC001138346619 1024707568 /nfs/dbraw/zinc/70/75/68/1024707568.db2.gz JRQMJPUFVZDMQC-SFHVURJKSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)C[C@H]2c2ccccc2)cc1OC ZINC001138346635 1024707776 /nfs/dbraw/zinc/70/77/76/1024707776.db2.gz KBAZNZKUICIBMC-SFTDATJTSA-N 1 0 393.483 3.834 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138448107 1024869286 /nfs/dbraw/zinc/86/92/86/1024869286.db2.gz KPBOGXQGTMZEHF-GGAORHGYSA-N 1 0 381.520 3.959 20 30 GHEDRO COc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001138482201 1024911794 /nfs/dbraw/zinc/91/17/94/1024911794.db2.gz DXLLIDWEDYVZEV-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccnc1NC(=O)C(C)(C)C)CC2 ZINC001138540601 1024981878 /nfs/dbraw/zinc/98/18/78/1024981878.db2.gz QQVXNFNTENRZPV-QHCPKHFHSA-N 1 0 398.551 3.599 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426669 1025010318 /nfs/dbraw/zinc/01/03/18/1025010318.db2.gz LSFLFDBDFMDERO-OALUTQOASA-N 1 0 384.442 3.983 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)cc1 ZINC001138558005 1025019835 /nfs/dbraw/zinc/01/98/35/1025019835.db2.gz KVFVQVLVJFZHFV-HSZRJFAPSA-N 1 0 388.511 3.537 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)cc1 ZINC001138559762 1025020861 /nfs/dbraw/zinc/02/08/61/1025020861.db2.gz RQODHTSCICTNIF-AJSBUHFISA-N 1 0 391.515 3.964 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cc1 ZINC001138559340 1025021741 /nfs/dbraw/zinc/02/17/41/1025021741.db2.gz ROPIEXXOZICJBJ-HSZRJFAPSA-N 1 0 396.437 3.606 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)cc1 ZINC001138559463 1025022268 /nfs/dbraw/zinc/02/22/68/1025022268.db2.gz LYCVHUJGIBARGU-UHFFFAOYSA-N 1 0 387.458 3.896 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001138586280 1025067244 /nfs/dbraw/zinc/06/72/44/1025067244.db2.gz GSJUGVMKAPWWFT-IBGZPJMESA-N 1 0 390.487 3.902 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c1O ZINC001138628085 1025128659 /nfs/dbraw/zinc/12/86/59/1025128659.db2.gz SOWCXMQDIYLWQP-UHFFFAOYSA-N 1 0 378.520 3.793 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccn1-c1ccccc1F)CC2 ZINC001138631818 1025136048 /nfs/dbraw/zinc/13/60/48/1025136048.db2.gz DHMIKJRWPUITQD-UHFFFAOYSA-N 1 0 383.467 3.837 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001138647951 1025159648 /nfs/dbraw/zinc/15/96/48/1025159648.db2.gz LTWBKWBVVZLPAR-FCHUYYIVSA-N 1 0 385.483 3.585 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)[C@@H]2CC ZINC001138647966 1025160150 /nfs/dbraw/zinc/16/01/50/1025160150.db2.gz LXZOQTOKMRQJQE-GGAORHGYSA-N 1 0 396.510 3.933 20 30 GHEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001138662484 1025182427 /nfs/dbraw/zinc/18/24/27/1025182427.db2.gz YZCOPWFCBAVGQR-IMSXRSKXSA-N 1 0 398.547 3.537 20 30 GHEDRO N#Cc1ccc(CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)nc1 ZINC000832140159 1025252851 /nfs/dbraw/zinc/25/28/51/1025252851.db2.gz KTKQERFECLVINY-UHFFFAOYSA-N 1 0 395.532 3.853 20 30 GHEDRO C#Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000838641169 1025258468 /nfs/dbraw/zinc/25/84/68/1025258468.db2.gz GUDRLXSHIBJVNO-AUSIDOKSSA-N 1 0 375.516 3.862 20 30 GHEDRO COc1ccc(-c2nc(CN3CC[NH+](C[C@@H](C)CCC#N)CC3)cs2)cc1 ZINC001205169421 1033281763 /nfs/dbraw/zinc/28/17/63/1033281763.db2.gz DUEUJWUXJMDLKM-KRWDZBQOSA-N 1 0 384.549 3.876 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000838958415 1025474967 /nfs/dbraw/zinc/47/49/67/1025474967.db2.gz LXQUEAOIDIMUDU-NQIIRXRSSA-N 1 0 379.504 3.882 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cnc4ccccc4n3)CC2)C1 ZINC001138863292 1025485766 /nfs/dbraw/zinc/48/57/66/1025485766.db2.gz DUESQBHVCKVAKK-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC001138879643 1025514664 /nfs/dbraw/zinc/51/46/64/1025514664.db2.gz RJBATQSEYDBIEX-JOCHJYFZSA-N 1 0 382.483 3.749 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CCC([NH3+])(Cc3ccccc3F)CC2)cc(Cl)n1 ZINC001161987005 1025522146 /nfs/dbraw/zinc/52/21/46/1025522146.db2.gz GLZZPARHRFEUIH-UHFFFAOYSA-N 1 0 394.828 3.831 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c4cc[nH]c4ncc3Cl)C2)C1 ZINC001138947136 1025633666 /nfs/dbraw/zinc/63/36/66/1025633666.db2.gz PWTPIBRTDQJLBC-HXUWFJFHSA-N 1 0 388.899 3.778 20 30 GHEDRO N#CC1(c2ccc(NCCCP(CCC[NH3+])c3ccccc3)nc2)CCC1 ZINC001162467129 1025758301 /nfs/dbraw/zinc/75/83/01/1025758301.db2.gz PIWJJLSUSZSZAY-UHFFFAOYSA-N 1 0 380.476 3.985 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001139032337 1025801890 /nfs/dbraw/zinc/80/18/90/1025801890.db2.gz KLJDDWXEGMKEJJ-NZQKXSOJSA-N 1 0 380.488 3.849 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162580570 1025805853 /nfs/dbraw/zinc/80/58/53/1025805853.db2.gz SNACLUOBSUYVBA-QGZVFWFLSA-N 1 0 377.807 3.562 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)[C@@H]2CC ZINC001139073576 1025876673 /nfs/dbraw/zinc/87/66/73/1025876673.db2.gz LGNWNPSPODZYLB-NQIIRXRSSA-N 1 0 390.911 3.990 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)cc2c1Cl ZINC001162803781 1025922952 /nfs/dbraw/zinc/92/29/52/1025922952.db2.gz VRYLZNMDKCDPID-ZDBHGNHJSA-N 1 0 395.240 3.826 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(Oc4ccccc4)nc3)C2)C1=O ZINC001139242324 1026092129 /nfs/dbraw/zinc/09/21/29/1026092129.db2.gz FOPNIOXDQTUXAC-HSZRJFAPSA-N 1 0 377.488 3.874 20 30 GHEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000839609528 1026109905 /nfs/dbraw/zinc/10/99/05/1026109905.db2.gz CGJOTBPTZPYAPF-HXUWFJFHSA-N 1 0 395.503 3.543 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000839637101 1026141810 /nfs/dbraw/zinc/14/18/10/1026141810.db2.gz DBDYODRKMLKXHG-NHCUHLMSSA-N 1 0 399.535 3.843 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000839643948 1026154990 /nfs/dbraw/zinc/15/49/90/1026154990.db2.gz MDVYKHGSYLVNQN-ROUUACIJSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000839645308 1026157096 /nfs/dbraw/zinc/15/70/96/1026157096.db2.gz TXNQEVRFKOKBDX-RTWAWAEBSA-N 1 0 399.535 3.843 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000839647505 1026163989 /nfs/dbraw/zinc/16/39/89/1026163989.db2.gz ZXOWCNQOUBAJEL-HXUWFJFHSA-N 1 0 384.483 3.690 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ncccc1C(=O)NCc1ccccc1 ZINC001163466982 1026205249 /nfs/dbraw/zinc/20/52/49/1026205249.db2.gz WGVDQAPYGBPZAN-UHFFFAOYSA-N 1 0 387.487 3.501 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(-c3cnccn3)cc1)CC2 ZINC001139392743 1026260875 /nfs/dbraw/zinc/26/08/75/1026260875.db2.gz XDTBKTFURKJKNG-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)c1ccccc1 ZINC001163652038 1026266904 /nfs/dbraw/zinc/26/69/04/1026266904.db2.gz ISEIVBFNYQKWOD-XZOQPEGZSA-N 1 0 390.531 3.678 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001163654101 1026267985 /nfs/dbraw/zinc/26/79/85/1026267985.db2.gz UXFWRQKYFCNZJQ-VFPYVNGNSA-N 1 0 391.581 3.671 20 30 GHEDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400310 1026270139 /nfs/dbraw/zinc/27/01/39/1026270139.db2.gz NOOAKGJNMUEPSM-OAQYLSRUSA-N 1 0 376.504 3.701 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1NC(=N)c1ccc(C(F)(F)F)cc1 ZINC001163680236 1026280642 /nfs/dbraw/zinc/28/06/42/1026280642.db2.gz NYTSZIQUECZEHX-UHFFFAOYSA-N 1 0 393.413 3.581 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC001139527860 1026384772 /nfs/dbraw/zinc/38/47/72/1026384772.db2.gz RMXWNLFJLUTBMZ-UHFFFAOYSA-N 1 0 397.494 3.811 20 30 GHEDRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccc(C#N)c(F)c2)CC3)n1 ZINC001139528358 1026386933 /nfs/dbraw/zinc/38/69/33/1026386933.db2.gz QOFIUEGYQMSTQB-UHFFFAOYSA-N 1 0 392.478 3.558 20 30 GHEDRO N#Cc1cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164343006 1026491543 /nfs/dbraw/zinc/49/15/43/1026491543.db2.gz XBASGAXUNGPWTA-CEXWTWQISA-N 1 0 377.448 3.574 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@@H]2CF)CC1 ZINC001139646119 1026507302 /nfs/dbraw/zinc/50/73/02/1026507302.db2.gz JMEOYIWSBNNZCO-IRXDYDNUSA-N 1 0 391.462 3.772 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(C#N)ccc3F)CC2)C1=O ZINC001139649340 1026510340 /nfs/dbraw/zinc/51/03/40/1026510340.db2.gz ZJTQCNDKQNDGLC-HXUWFJFHSA-N 1 0 377.463 3.535 20 30 GHEDRO COC(OC)c1c(C#N)ccnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164486391 1026525794 /nfs/dbraw/zinc/52/57/94/1026525794.db2.gz NMJPAMPSGKZHOE-XUVXKRRUSA-N 1 0 392.503 3.567 20 30 GHEDRO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001139689515 1026541274 /nfs/dbraw/zinc/54/12/74/1026541274.db2.gz PPPMZODDTGKHPC-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4c[nH]c5c4cccc5C#N)C3)C2=O)c1 ZINC001139701430 1026547362 /nfs/dbraw/zinc/54/73/62/1026547362.db2.gz LURJKCMXMIRONL-RUZDIDTESA-N 1 0 398.510 3.973 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)C1=O ZINC001139705186 1026549784 /nfs/dbraw/zinc/54/97/84/1026549784.db2.gz MSDNZKRRDKYBFB-QFIPXVFZSA-N 1 0 398.510 3.878 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]12 ZINC001139705531 1026551322 /nfs/dbraw/zinc/55/13/22/1026551322.db2.gz UHTVBNDUCKEMRI-NOZRDPDXSA-N 1 0 398.510 3.804 20 30 GHEDRO CCC[NH+](CCC)CCCN1CCN(Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139707087 1026552124 /nfs/dbraw/zinc/55/21/24/1026552124.db2.gz PEWZWGFHMLGBHI-UHFFFAOYSA-N 1 0 381.568 3.669 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]21 ZINC001139707422 1026552629 /nfs/dbraw/zinc/55/26/29/1026552629.db2.gz FAIZGZYICWKHAD-ZYSHUDEJSA-N 1 0 380.492 3.775 20 30 GHEDRO Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1C#N ZINC001139725301 1026568667 /nfs/dbraw/zinc/56/86/67/1026568667.db2.gz KHVJANAYJHOCSE-DQEYMECFSA-N 1 0 393.575 3.827 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)cc1C#N ZINC001139724873 1026568819 /nfs/dbraw/zinc/56/88/19/1026568819.db2.gz SWZJJKLAVVFGAO-RBUKOAKNSA-N 1 0 387.499 3.942 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)cc1C#N ZINC001139725574 1026569950 /nfs/dbraw/zinc/56/99/50/1026569950.db2.gz VAQJSXLAONZFMM-QFIPXVFZSA-N 1 0 391.515 3.959 20 30 GHEDRO C[NH+](C)C[C@@H]1CCCN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001165073120 1026588700 /nfs/dbraw/zinc/58/87/00/1026588700.db2.gz AIEZPFOOFDZFPU-HNNXBMFYSA-N 1 0 391.853 3.744 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165086410 1026596082 /nfs/dbraw/zinc/59/60/82/1026596082.db2.gz OWVHTGGSIHUQIQ-CRAIPNDOSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001165159609 1026639066 /nfs/dbraw/zinc/63/90/66/1026639066.db2.gz DSDWGFZNDAIYLR-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@H]21 ZINC001139874887 1026691531 /nfs/dbraw/zinc/69/15/31/1026691531.db2.gz QBNUNVWDVQJRTL-WWPVKYPJSA-N 1 0 378.495 3.825 20 30 GHEDRO N#Cc1cnc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001165292586 1026694224 /nfs/dbraw/zinc/69/42/24/1026694224.db2.gz NTMSCPQHAOZIER-VQIMIIECSA-N 1 0 390.512 3.650 20 30 GHEDRO N#Cc1c(Cl)cc(Cl)nc1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165306521 1026699268 /nfs/dbraw/zinc/69/92/68/1026699268.db2.gz IHNLOVGOEOYPMR-NSHDSACASA-N 1 0 379.213 3.913 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CCCCC23CC[NH2+]CC3)c1C#N ZINC001165338630 1026707022 /nfs/dbraw/zinc/70/70/22/1026707022.db2.gz FROZGYDGFWHCRS-UHFFFAOYSA-N 1 0 379.533 3.850 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N(c3cccc(F)c3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c1-2 ZINC001165483834 1026744091 /nfs/dbraw/zinc/74/40/91/1026744091.db2.gz YMDPCPVNWYXNJG-AVRDEDQJSA-N 1 0 391.450 3.623 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccccc1-n1ccnc1C)C2 ZINC001140020940 1026805525 /nfs/dbraw/zinc/80/55/25/1026805525.db2.gz FAINKPKHQARZJW-HSZRJFAPSA-N 1 0 378.520 3.714 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c[nH]c3ccc(C#N)cc13)[C@@H]2C ZINC001140113538 1026894933 /nfs/dbraw/zinc/89/49/33/1026894933.db2.gz HTIJIMFEZUQZTP-MRXNPFEDSA-N 1 0 376.508 3.653 20 30 GHEDRO N#Cc1nc(Cl)cnc1N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001166495188 1027014027 /nfs/dbraw/zinc/01/40/27/1027014027.db2.gz HBMNLTPLHCPUOI-UHFFFAOYSA-N 1 0 376.807 3.513 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)c1-2 ZINC001166496603 1027015349 /nfs/dbraw/zinc/01/53/49/1027015349.db2.gz IVLIMSVWPFFHIQ-UHFFFAOYSA-N 1 0 380.411 3.946 20 30 GHEDRO N#Cc1cnc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)c2cc(-c3ccccc3)sc21 ZINC001166701734 1027061841 /nfs/dbraw/zinc/06/18/41/1027061841.db2.gz SNGRJWXFOSXSSF-QGZVFWFLSA-N 1 0 398.495 3.925 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1csc(Cl)n1 ZINC000840083510 1027160066 /nfs/dbraw/zinc/16/00/66/1027160066.db2.gz MGHFMCUTWROEIZ-UHFFFAOYSA-N 1 0 383.974 3.895 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(OC)ccc3OC)CC2)C1 ZINC001203518728 1027399707 /nfs/dbraw/zinc/39/97/07/1027399707.db2.gz PSTYBFAYZSXTHP-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO CCOc1ccccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001203540824 1027416927 /nfs/dbraw/zinc/41/69/27/1027416927.db2.gz HCFRYUHEXDTLCT-HSZRJFAPSA-N 1 0 375.472 3.586 20 30 GHEDRO CCOc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001203545580 1027424486 /nfs/dbraw/zinc/42/44/86/1027424486.db2.gz OBCVKEPLCOSZNM-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO C=C(C)c1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC001210299280 1027434724 /nfs/dbraw/zinc/43/47/24/1027434724.db2.gz DSYLSJGZPCKKJI-IRLDBZIGSA-N 1 0 379.504 3.724 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001203591216 1027456071 /nfs/dbraw/zinc/45/60/71/1027456071.db2.gz KSTCMYHDIOJJOW-QFIPXVFZSA-N 1 0 387.524 3.603 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC001203762410 1027583582 /nfs/dbraw/zinc/58/35/82/1027583582.db2.gz QTGYBUHTSQXNAS-XMMPIXPASA-N 1 0 382.467 3.689 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OC)c(F)c3)C2)CC1 ZINC001203790790 1027606175 /nfs/dbraw/zinc/60/61/75/1027606175.db2.gz PXSWMHVRSJTCNY-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccc(Br)cc23)cc1 ZINC001203904898 1027695873 /nfs/dbraw/zinc/69/58/73/1027695873.db2.gz IGOMSPAVDHPZOK-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)cc1 ZINC001203903716 1027696945 /nfs/dbraw/zinc/69/69/45/1027696945.db2.gz MPUJJKMDNUKTBG-RBBKRZOGSA-N 1 0 381.451 3.542 20 30 GHEDRO CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203906728 1027698175 /nfs/dbraw/zinc/69/81/75/1027698175.db2.gz WMXOSKXUUDRSMA-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC001203927546 1027717897 /nfs/dbraw/zinc/71/78/97/1027717897.db2.gz QXNAUQHYKKDCGO-UHFFFAOYSA-N 1 0 379.460 3.569 20 30 GHEDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001203967766 1027766034 /nfs/dbraw/zinc/76/60/34/1027766034.db2.gz RTILFHHGAKCALP-QHCPKHFHSA-N 1 0 375.472 3.586 20 30 GHEDRO O=C([C@@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1)N1CCCC1 ZINC001141975976 1027789161 /nfs/dbraw/zinc/78/91/61/1027789161.db2.gz QGXPPZSTWQUEER-HXUWFJFHSA-N 1 0 378.541 3.982 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC001211221089 1027842832 /nfs/dbraw/zinc/84/28/32/1027842832.db2.gz AKQGGQQLCFCMAB-FYYLOGMGSA-N 1 0 398.595 3.601 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@H](C2CCOCC2)C1)C(C)C ZINC001211223166 1027843760 /nfs/dbraw/zinc/84/37/60/1027843760.db2.gz RXSXKVHBZQYDLS-VXKWHMMOSA-N 1 0 391.600 3.923 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1ccsc1 ZINC001211286613 1027890652 /nfs/dbraw/zinc/89/06/52/1027890652.db2.gz PZERALCBMFVEAO-HXUWFJFHSA-N 1 0 382.533 3.812 20 30 GHEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000840951705 1027981776 /nfs/dbraw/zinc/98/17/76/1027981776.db2.gz HNNVROOSCOUXGA-UHFFFAOYSA-N 1 0 398.528 3.553 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNCC1(C[NH+](C)C)CCCC1 ZINC001461424494 1069543651 /nfs/dbraw/zinc/54/36/51/1069543651.db2.gz PWOAFJJIEWJFLY-UHFFFAOYSA-N 1 0 379.342 3.673 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001142408730 1028831164 /nfs/dbraw/zinc/83/11/64/1028831164.db2.gz XFMIZJWFHYDJJB-HNNXBMFYSA-N 1 0 392.297 3.807 20 30 GHEDRO COC[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000841762997 1028920853 /nfs/dbraw/zinc/92/08/53/1028920853.db2.gz SSFIYBGHUMACTQ-UYAOXDASSA-N 1 0 387.524 3.845 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)s1 ZINC000841830896 1028971690 /nfs/dbraw/zinc/97/16/90/1028971690.db2.gz ORKGTZNCFSWCBN-RBUKOAKNSA-N 1 0 394.544 3.818 20 30 GHEDRO COCOc1cc(C)c(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c(C)c1 ZINC001215165699 1029070773 /nfs/dbraw/zinc/07/07/73/1029070773.db2.gz BHIMTQXCWRJWFP-UHFFFAOYSA-N 1 0 380.492 3.653 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC001142649636 1029205672 /nfs/dbraw/zinc/20/56/72/1029205672.db2.gz XTZYBFLUAVYDLQ-IBGZPJMESA-N 1 0 389.540 3.831 20 30 GHEDRO Cn1c2ccccc2n(C2CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)c1=O ZINC001142921533 1029696993 /nfs/dbraw/zinc/69/69/93/1029696993.db2.gz PSZHAAXMZVVEBB-UHFFFAOYSA-N 1 0 385.471 3.530 20 30 GHEDRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4c[nH]c5cc(C#N)ccc45)C3)CC2=O)cc1 ZINC001142929158 1029710919 /nfs/dbraw/zinc/71/09/19/1029710919.db2.gz YPOYBAOTRPXBAM-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c(OC)cc(C)cc1OC)C2 ZINC001143140053 1029864180 /nfs/dbraw/zinc/86/41/80/1029864180.db2.gz WFHUPPSMDUEJEQ-VXKWHMMOSA-N 1 0 375.509 3.586 20 30 GHEDRO C#CCN(C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1)C1CC[NH+](C)CC1 ZINC001221937712 1029899342 /nfs/dbraw/zinc/89/93/42/1029899342.db2.gz XILMVOGGDVLKKI-UHFFFAOYSA-N 1 0 391.515 3.601 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3ccc(C(=O)OC)cc13)C2 ZINC001143232801 1029931115 /nfs/dbraw/zinc/93/11/15/1029931115.db2.gz LQCKOKYOYFQKAB-FYYLOGMGSA-N 1 0 398.503 3.528 20 30 GHEDRO C[C@H](C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000843417129 1029990081 /nfs/dbraw/zinc/99/00/81/1029990081.db2.gz PSSSVIRPMIAVGZ-IAGOWNOFSA-N 1 0 386.540 3.808 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000843424139 1029996406 /nfs/dbraw/zinc/99/64/06/1029996406.db2.gz OZFNOFNKBTWETK-ZDUSSCGKSA-N 1 0 386.370 3.780 20 30 GHEDRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1CN1CCC(F)(C[NH3+])CC1 ZINC001222542825 1030189152 /nfs/dbraw/zinc/18/91/52/1030189152.db2.gz KKYJOSOHNBWNGN-UHFFFAOYSA-N 1 0 388.327 3.996 20 30 GHEDRO N#Cc1ccc(CN2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(Br)c1 ZINC001222602610 1030228430 /nfs/dbraw/zinc/22/84/30/1030228430.db2.gz VKGFSEKIGBEHNI-SFHVURJKSA-N 1 0 382.305 3.510 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602428 1030228475 /nfs/dbraw/zinc/22/84/75/1030228475.db2.gz PYDKFTUHEHIDAT-SFHVURJKSA-N 1 0 382.305 3.510 20 30 GHEDRO N#Cc1ccc(CN2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1Br ZINC001222608921 1030232805 /nfs/dbraw/zinc/23/28/05/1030232805.db2.gz JAXJZBNIXSFPPU-GOSISDBHSA-N 1 0 382.305 3.510 20 30 GHEDRO COc1ccccc1-c1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)on1 ZINC001461669301 1069669220 /nfs/dbraw/zinc/66/92/20/1069669220.db2.gz KNKBCSIDUZWJPI-UHFFFAOYSA-N 1 0 399.454 3.912 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001276906682 1030671940 /nfs/dbraw/zinc/67/19/40/1030671940.db2.gz LPQLRAWJWCETCA-HXUWFJFHSA-N 1 0 388.558 3.714 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217979554 1030703391 /nfs/dbraw/zinc/70/33/91/1030703391.db2.gz GNVUJGWBNIAYCU-YCSJFFEASA-N 1 0 397.494 3.789 20 30 GHEDRO COc1cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218016211 1030724466 /nfs/dbraw/zinc/72/44/66/1030724466.db2.gz CQENPVVISSIAMO-XJASJXKWSA-N 1 0 385.435 3.766 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218020580 1030727082 /nfs/dbraw/zinc/72/70/82/1030727082.db2.gz BYQLRGLHQYDZSW-PMACEKPBSA-N 1 0 393.462 3.583 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@@H]3CC[NH2+]CC[C@H]3F)c2C1=O ZINC001218026409 1030730238 /nfs/dbraw/zinc/73/02/38/1030730238.db2.gz UDQDPUZRAZFLQP-CRAIPNDOSA-N 1 0 387.451 3.913 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[NH2+]CC[C@@H]3C)c(C#N)c2)nc1C ZINC001218031134 1030733802 /nfs/dbraw/zinc/73/38/02/1030733802.db2.gz XJBLJRWASPKWRW-SUMWQHHRSA-N 1 0 399.516 3.934 20 30 GHEDRO C[C@@H]1C[C@H](Oc2ccc(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)cc2)C[NH2+]1 ZINC001218046840 1030740658 /nfs/dbraw/zinc/74/06/58/1030740658.db2.gz XJLPVXJLSSUWAS-WHFPDTAASA-N 1 0 391.467 3.776 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3CC[NH2+][C@H](C)C3)cc2)cc1 ZINC001218054947 1030746055 /nfs/dbraw/zinc/74/60/55/1030746055.db2.gz DKPCERHUTJSFET-VQIMIIECSA-N 1 0 387.501 3.604 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3CC[NH2+]C[C@@H]3F)c2)cc1OC ZINC001218072916 1030755958 /nfs/dbraw/zinc/75/59/58/1030755958.db2.gz TYTFZGYTKMLOMW-VDIGXEGLSA-N 1 0 385.435 3.679 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001218072549 1030756390 /nfs/dbraw/zinc/75/63/90/1030756390.db2.gz XBAPTBAVOCAFDN-ZERCDLRSSA-N 1 0 385.435 3.679 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[C@@]34CC[NH2+]C4)c(C#N)c2)nc1C ZINC001218117909 1030782231 /nfs/dbraw/zinc/78/22/31/1030782231.db2.gz NCQWGWUJZNMQHE-UWJYYQICSA-N 1 0 397.500 3.688 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c(C#N)c2)nc1C ZINC001218186169 1030813900 /nfs/dbraw/zinc/81/39/00/1030813900.db2.gz MKSIVFOVGOQCJU-FVQHAEBGSA-N 1 0 397.500 3.829 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001218202428 1030827596 /nfs/dbraw/zinc/82/75/96/1030827596.db2.gz LNYWXOOXBBYKEY-GTNSWQLSSA-N 1 0 376.243 3.736 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(O)c(CCC(=O)c2ccccc2)c(OC)c1C ZINC001218211024 1030832901 /nfs/dbraw/zinc/83/29/01/1030832901.db2.gz OVCYEORDCUGQSE-JOCHJYFZSA-N 1 0 381.472 3.822 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1C[C@H]2CC[NH2+][C@H]2C1 ZINC001218249992 1030852666 /nfs/dbraw/zinc/85/26/66/1030852666.db2.gz KSYCDHJQCMEQNB-XHEHYROFSA-N 1 0 391.515 3.840 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCC#C[C@@H]2CCCCO2)c1 ZINC001224034687 1030857441 /nfs/dbraw/zinc/85/74/41/1030857441.db2.gz HUBJYCDBKILBHH-QFIPXVFZSA-N 1 0 385.552 3.680 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218324208 1030892742 /nfs/dbraw/zinc/89/27/42/1030892742.db2.gz BEIWDYJOGBVIPX-WAZIVOSUSA-N 1 0 379.456 3.587 20 30 GHEDRO CCCCCCCC[C@H](CC)Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c1=O ZINC001218354227 1030907534 /nfs/dbraw/zinc/90/75/34/1030907534.db2.gz DBBXMTDAYVHJKG-HNNXBMFYSA-N 1 0 395.544 3.669 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218404935 1030923382 /nfs/dbraw/zinc/92/33/82/1030923382.db2.gz PRGAWLGLTWCJQQ-LCSAEXSLSA-N 1 0 391.515 3.841 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[NH2+]C[C@@H]3C)c(C#N)c2)nc1C ZINC001218412392 1030928563 /nfs/dbraw/zinc/92/85/63/1030928563.db2.gz FGSORUZGTZVEIJ-LRDDRELGSA-N 1 0 385.489 3.544 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC001218413780 1030929783 /nfs/dbraw/zinc/92/97/83/1030929783.db2.gz IZLWDYKVZOFEFI-CKWGURKCSA-N 1 0 397.471 3.682 20 30 GHEDRO Cc1cc(O[C@H]2CC[NH2+]C[C@@H]2C)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218421426 1030932825 /nfs/dbraw/zinc/93/28/25/1030932825.db2.gz WEIMSBFKLXYHOZ-RJTCWLHGSA-N 1 0 381.472 3.988 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ncc(Br)cc1Br ZINC001218451639 1030941911 /nfs/dbraw/zinc/94/19/11/1030941911.db2.gz IIMHBSZZBVJOCG-VXGBXAGGSA-N 1 0 376.092 3.682 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001218458882 1030945505 /nfs/dbraw/zinc/94/55/05/1030945505.db2.gz AEVQXHPGCJBSAU-XAUMDUMWSA-N 1 0 391.508 3.992 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[NH2+]C(C)(C)C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218475686 1030952138 /nfs/dbraw/zinc/95/21/38/1030952138.db2.gz RELJSOCOSFDSFZ-AHKGRUIUSA-N 1 0 397.471 3.912 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001218548040 1030983286 /nfs/dbraw/zinc/98/32/86/1030983286.db2.gz LQJPFSRBSNNOJL-KRWDZBQOSA-N 1 0 383.517 3.794 20 30 GHEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218554818 1030985211 /nfs/dbraw/zinc/98/52/11/1030985211.db2.gz WXWVDVMOMQHJNU-JKIFEVAISA-N 1 0 375.538 3.681 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)C[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cn1 ZINC001218582790 1030995257 /nfs/dbraw/zinc/99/52/57/1030995257.db2.gz ZQZKLLVYQUBSKZ-OAHLLOKOSA-N 1 0 376.382 3.930 20 30 GHEDRO N#Cc1cccc2[nH]nc(NC(=O)C[C@H]([NH3+])C(c3ccccc3)c3ccccc3)c21 ZINC001218656088 1031020994 /nfs/dbraw/zinc/02/09/94/1031020994.db2.gz CDKIGKHURVCDNV-IBGZPJMESA-N 1 0 395.466 3.923 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)[C@@]3([NH3+])CCc4cc(F)ccc4C3)n2)s1 ZINC001218788501 1031079320 /nfs/dbraw/zinc/07/93/20/1031079320.db2.gz VOFBDLQNAJVEEG-LJQANCHMSA-N 1 0 398.488 3.707 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H](c3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001218840650 1031107161 /nfs/dbraw/zinc/10/71/61/1031107161.db2.gz RMOLUPQCIXJEIC-HZPDHXFCSA-N 1 0 389.377 3.789 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2c(Cl)ccc3ncccc32)C1 ZINC001218904641 1031143094 /nfs/dbraw/zinc/14/30/94/1031143094.db2.gz FMTZDBNHQXYTRB-VLIAUNLRSA-N 1 0 390.874 3.919 20 30 GHEDRO CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)cc1 ZINC001218910126 1031148282 /nfs/dbraw/zinc/14/82/82/1031148282.db2.gz AUQADWUILUWTKB-QHCPKHFHSA-N 1 0 398.510 3.975 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)c2)c1 ZINC001219031453 1031221365 /nfs/dbraw/zinc/22/13/65/1031221365.db2.gz NUGZCFBEDFYSRA-UHFFFAOYSA-N 1 0 385.423 3.665 20 30 GHEDRO CCc1cc(NC(=O)[C@H](NCc2ccccc2)C(C)(C)[NH3+])cc(CC)c1C#N ZINC001219112912 1031257839 /nfs/dbraw/zinc/25/78/39/1031257839.db2.gz ZNDCVOXVQMZBOF-NRFANRHFSA-N 1 0 378.520 3.517 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c(Cl)ccnc23)C1 ZINC001219114074 1031258097 /nfs/dbraw/zinc/25/80/97/1031258097.db2.gz BTJNPUBRHIFOPR-VLIAUNLRSA-N 1 0 390.874 3.919 20 30 GHEDRO Cc1cc(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)cc2scnc21 ZINC001219184367 1031292512 /nfs/dbraw/zinc/29/25/12/1031292512.db2.gz LYMJPMAGZSCBEX-KDOFPFPSSA-N 1 0 376.485 3.636 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)cc1 ZINC001219271118 1031335575 /nfs/dbraw/zinc/33/55/75/1031335575.db2.gz POYVJDHUZLINJZ-WMZHIEFXSA-N 1 0 375.472 3.713 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC001225368939 1031365414 /nfs/dbraw/zinc/36/54/14/1031365414.db2.gz OHLJPBBEGAHNTR-UHFFFAOYSA-N 1 0 375.944 3.796 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)Nc3sccc3C#N)cc2)C[C@H](C)O1 ZINC001219354878 1031372124 /nfs/dbraw/zinc/37/21/24/1031372124.db2.gz URIHZQATQCOXQG-IYBDPMFKSA-N 1 0 398.532 3.893 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)Nc2ccc(C#N)c3ncccc23)cc1 ZINC001219467648 1031441409 /nfs/dbraw/zinc/44/14/09/1031441409.db2.gz MBQQEMNPQGIRQV-IBGZPJMESA-N 1 0 388.471 3.792 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219483582 1031450619 /nfs/dbraw/zinc/45/06/19/1031450619.db2.gz ZYFONVFPWQSUHY-GOSISDBHSA-N 1 0 390.987 3.666 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)ccc1Cl ZINC001277085936 1031709431 /nfs/dbraw/zinc/70/94/31/1031709431.db2.gz LBWWNQNOBUAGNV-IBGZPJMESA-N 1 0 381.854 3.681 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3c(C)cccc3Br)C2)C1=O ZINC001276810433 1031774249 /nfs/dbraw/zinc/77/42/49/1031774249.db2.gz SFBXLKOCFQJQNE-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[C@H]([NH3+])C(c2ccccc2)c2ccccc2)cc1F ZINC001220449215 1031946126 /nfs/dbraw/zinc/94/61/26/1031946126.db2.gz PDNJNEZDVVYUBF-QFIPXVFZSA-N 1 0 387.458 3.863 20 30 GHEDRO CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)NC(=N)c2ccc3cc(O)ccc3c2)cc1 ZINC001220634319 1032034331 /nfs/dbraw/zinc/03/43/31/1032034331.db2.gz LLVLQGNKTUEAQP-OAQYLSRUSA-N 1 0 389.499 3.645 20 30 GHEDRO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3sc(=O)[nH]c3Cl)C2)C1=O ZINC001277141019 1032037696 /nfs/dbraw/zinc/03/76/96/1032037696.db2.gz OVSCPQVUVBQNOF-IBGZPJMESA-N 1 0 389.908 3.569 20 30 GHEDRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC001157058586 1033392639 /nfs/dbraw/zinc/39/26/39/1033392639.db2.gz AIVJZSOEQMFVIL-SJORKVTESA-N 1 0 384.277 3.605 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2nc(Cl)c(C#N)cc2C#N)CC1 ZINC001157066028 1033399606 /nfs/dbraw/zinc/39/96/06/1033399606.db2.gz BNDDMLXWIXSLSO-UHFFFAOYSA-N 1 0 383.858 3.718 20 30 GHEDRO N#Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)ccc1F ZINC001205472950 1033429171 /nfs/dbraw/zinc/42/91/71/1033429171.db2.gz MCXXAOGFNIEGIF-QRTHJKPMSA-N 1 0 397.519 3.576 20 30 GHEDRO O=C1C=CC(=O)c2c(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)ccc(O)c21 ZINC001229406759 1033463390 /nfs/dbraw/zinc/46/33/90/1033463390.db2.gz CFRNFVDAHXDGEB-LLGFUMIMSA-N 1 0 389.451 3.617 20 30 GHEDRO N#Cc1cc2c(nc1-n1cc(C3CC[NH2+]CC3)c3cccc(F)c31)CCOC2 ZINC001157358610 1033551641 /nfs/dbraw/zinc/55/16/41/1033551641.db2.gz HNVSAJOXMHHFNK-UHFFFAOYSA-N 1 0 376.435 3.576 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157434386 1033586095 /nfs/dbraw/zinc/58/60/95/1033586095.db2.gz KTFNZLYJOLMCTL-LJQANCHMSA-N 1 0 391.519 3.696 20 30 GHEDRO Cc1cc(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c(C#N)cc1N(C)C ZINC001205942650 1033647668 /nfs/dbraw/zinc/64/76/68/1033647668.db2.gz UXXFEUDRSQONAW-UHFFFAOYSA-N 1 0 383.540 3.851 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(F)cc(Br)c2OC)no1 ZINC001206100399 1033719410 /nfs/dbraw/zinc/71/94/10/1033719410.db2.gz NZKCTZPKRLQUOP-UHFFFAOYSA-N 1 0 382.233 3.756 20 30 GHEDRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)s1 ZINC001206166714 1033750499 /nfs/dbraw/zinc/75/04/99/1033750499.db2.gz WVHAXHICHXAXJX-JOCHJYFZSA-N 1 0 396.560 3.751 20 30 GHEDRO C[C@@H]1[C@H]([NH3+])CCCN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001157749115 1033751622 /nfs/dbraw/zinc/75/16/22/1033751622.db2.gz XVKPEKUUQBRRGL-IAQYHMDHSA-N 1 0 377.826 3.530 20 30 GHEDRO C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001230192330 1033938592 /nfs/dbraw/zinc/93/85/92/1033938592.db2.gz VDMVOFHWQGHXBT-CEMLEFRQSA-N 1 0 385.552 3.521 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001230200804 1033942066 /nfs/dbraw/zinc/94/20/66/1033942066.db2.gz MAMANDHUEDMELT-FYYLOGMGSA-N 1 0 388.515 3.852 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(-c3ccc(OC)cc3)on1)C2 ZINC001206826321 1034007536 /nfs/dbraw/zinc/00/75/36/1034007536.db2.gz WKQNMLJELPUQBH-HSZRJFAPSA-N 1 0 395.503 3.883 20 30 GHEDRO COc1cc(N(c2cc(C#C[Si](C)(C)C)ccn2)C2CC[NH2+]CC2)ccn1 ZINC001158334497 1034028181 /nfs/dbraw/zinc/02/81/81/1034028181.db2.gz ZFUZHPNZFGAEEP-UHFFFAOYSA-N 1 0 380.568 3.604 20 30 GHEDRO C=CCN(CC[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1)C(=O)OC(C)(C)C ZINC001207203523 1034170364 /nfs/dbraw/zinc/17/03/64/1034170364.db2.gz HELFGXMQZSATGE-INIZCTEOSA-N 1 0 378.517 3.796 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001207216982 1034185575 /nfs/dbraw/zinc/18/55/75/1034185575.db2.gz XSZSNSILQHKGJW-ICSRJNTNSA-N 1 0 385.508 3.658 20 30 GHEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2ccccc2c1Br ZINC001276518980 1034223305 /nfs/dbraw/zinc/22/33/05/1034223305.db2.gz SWGMDJXDMSUHOK-RTBURBONSA-N 1 0 397.316 3.801 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C2 ZINC001207311333 1034258366 /nfs/dbraw/zinc/25/83/66/1034258366.db2.gz DAYORXPIADIVRC-IPJJNNNSSA-N 1 0 394.556 3.602 20 30 GHEDRO N#CCc1ccc(OCc2ccc(-n3cc(CC[NH3+])c4ncccc43)nc2)cc1 ZINC001158751295 1034258690 /nfs/dbraw/zinc/25/86/90/1034258690.db2.gz JUFPVKXTRMKLOL-UHFFFAOYSA-N 1 0 383.455 3.567 20 30 GHEDRO CCOC(=O)[C@H](C)Oc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001230891663 1034274750 /nfs/dbraw/zinc/27/47/50/1034274750.db2.gz UFRKTVWNQBBRDN-HTAPYJJXSA-N 1 0 394.471 3.542 20 30 GHEDRO C=CCCC1(CNC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)CCCC1 ZINC001230929347 1034293337 /nfs/dbraw/zinc/29/33/37/1034293337.db2.gz YJXHJMGSPWOENY-UHFFFAOYSA-N 1 0 377.573 3.799 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(c2ccc([C@@H]3CCCC[N@H+]3CCC)cn2)C1 ZINC001158914091 1034333951 /nfs/dbraw/zinc/33/39/51/1034333951.db2.gz AZXQVYQCGXKENV-UXHICEINSA-N 1 0 386.540 3.900 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1C#N ZINC001231035912 1034353726 /nfs/dbraw/zinc/35/37/26/1034353726.db2.gz XDDDEJIRTGANEE-UEVCKROQSA-N 1 0 390.483 3.563 20 30 GHEDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC001159140036 1034445320 /nfs/dbraw/zinc/44/53/20/1034445320.db2.gz JRXWGVNCEBXHGB-IRLDBZIGSA-N 1 0 383.536 3.829 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001159145184 1034449492 /nfs/dbraw/zinc/44/94/92/1034449492.db2.gz YEBVOXAIVNNJBP-UHFFFAOYSA-N 1 0 379.464 3.974 20 30 GHEDRO O=c1[nH]c(=S)[nH]c(Nc2ccc3c(c2)CC[NH2+]C3)c1N=Cc1ccccc1 ZINC001159260060 1034508547 /nfs/dbraw/zinc/50/85/47/1034508547.db2.gz CFKKOTNCQRYICJ-SSDVNMTOSA-N 1 0 377.473 3.611 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)[C@H]2C1 ZINC001207781130 1034573611 /nfs/dbraw/zinc/57/36/11/1034573611.db2.gz VAHXFYLMLDUAKF-WTGUMLROSA-N 1 0 397.519 3.514 20 30 GHEDRO Cc1cc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)ncc1C#N ZINC001159519751 1034635322 /nfs/dbraw/zinc/63/53/22/1034635322.db2.gz JHHSBSUWTYDFLJ-HSZRJFAPSA-N 1 0 386.499 3.737 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(OCCCOC)cc1)CCO2 ZINC001231505030 1034648182 /nfs/dbraw/zinc/64/81/82/1034648182.db2.gz KIQCEDJHHUITAF-FYYLOGMGSA-N 1 0 389.536 3.676 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OCCCOC)cc1)CC2 ZINC001231505097 1034649401 /nfs/dbraw/zinc/64/94/01/1034649401.db2.gz JVQUKIZLUFJHJD-QHCPKHFHSA-N 1 0 386.536 3.635 20 30 GHEDRO Cc1nc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c(Cl)cc1C#N ZINC001159628599 1034696720 /nfs/dbraw/zinc/69/67/20/1034696720.db2.gz ABNLENKHFBDHQJ-WGSAOQKQSA-N 1 0 387.959 3.666 20 30 GHEDRO CCOc1cc(CN2CCc3ccc(C#N)cc3C2)ccc1OCCCOC ZINC001231546602 1034701353 /nfs/dbraw/zinc/70/13/53/1034701353.db2.gz JUEZDGHLYMZKBW-UHFFFAOYSA-N 1 0 380.488 3.931 20 30 GHEDRO N#Cc1c(F)c(Br)ccc1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159790336 1034743055 /nfs/dbraw/zinc/74/30/55/1034743055.db2.gz WFNYEVNMPDWUKS-UHFFFAOYSA-N 1 0 375.245 3.613 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(C2)COCc2c(C)nc(N(C)C)nc23)CC1 ZINC001208175018 1034773792 /nfs/dbraw/zinc/77/37/92/1034773792.db2.gz LZEKIEYWVOKFOE-XXBNENTESA-N 1 0 382.552 3.627 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(C#N)cc3OC)C2)CC1 ZINC001231616612 1034774204 /nfs/dbraw/zinc/77/42/04/1034774204.db2.gz IMIDXLGAQCBEEK-UHFFFAOYSA-N 1 0 383.492 3.567 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)CC1 ZINC001208176948 1034775557 /nfs/dbraw/zinc/77/55/57/1034775557.db2.gz KOZRQQGZGHBEIB-FCIYXJNOSA-N 1 0 384.520 3.649 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001231618512 1034776287 /nfs/dbraw/zinc/77/62/87/1034776287.db2.gz INXLGIQQTGXLTQ-JOCHJYFZSA-N 1 0 395.528 3.757 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)C(C)C)O3)c1 ZINC001231623687 1034784857 /nfs/dbraw/zinc/78/48/57/1034784857.db2.gz PVJYWUSLIMHIDY-JTHBVZDNSA-N 1 0 386.536 3.537 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CCO2 ZINC001208215440 1034806308 /nfs/dbraw/zinc/80/63/08/1034806308.db2.gz GZZQWQRZXZXLMA-GREBRCKQSA-N 1 0 387.520 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCN(c3cccc(C#N)c3)CC2)C1 ZINC001208236875 1034826000 /nfs/dbraw/zinc/82/60/00/1034826000.db2.gz BCNCEIIWXIYWRM-LJQANCHMSA-N 1 0 398.551 3.717 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1OC(C)=O ZINC001231706905 1034850068 /nfs/dbraw/zinc/85/00/68/1034850068.db2.gz AKQSSWPFJRPZPQ-UHFFFAOYSA-N 1 0 380.444 3.536 20 30 GHEDRO N#Cc1cc(Br)c(F)cc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001160250585 1034917696 /nfs/dbraw/zinc/91/76/96/1034917696.db2.gz UPNIOCWIXLBMJL-UHFFFAOYSA-N 1 0 389.272 3.609 20 30 GHEDRO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231820621 1034928237 /nfs/dbraw/zinc/92/82/37/1034928237.db2.gz QFILXIOIIMFXNY-IEBWSBKVSA-N 1 0 386.540 3.914 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccnc1OCCC)CC2 ZINC001231860158 1034949254 /nfs/dbraw/zinc/94/92/54/1034949254.db2.gz RAFOTTXVFWXNEB-UHFFFAOYSA-N 1 0 387.524 3.871 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(OC4CCCCC4)nc3)CC2)nc1 ZINC001231872554 1034958680 /nfs/dbraw/zinc/95/86/80/1034958680.db2.gz HEGWQIRXNNSQHC-UHFFFAOYSA-N 1 0 391.519 3.772 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001160454840 1034979942 /nfs/dbraw/zinc/97/99/42/1034979942.db2.gz KMFSKPVVBFZGCJ-IMSXRSKXSA-N 1 0 387.527 3.560 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@H+](CCOCCOCc2ccccc2)C1 ZINC001208750425 1034997726 /nfs/dbraw/zinc/99/77/26/1034997726.db2.gz LXKJGSNPFDYXGM-JOCHJYFZSA-N 1 0 380.488 3.635 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 ZINC001208859334 1035062365 /nfs/dbraw/zinc/06/23/65/1035062365.db2.gz PLJUIGYTZGLISL-HSZRJFAPSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)cc1 ZINC001208859161 1035062472 /nfs/dbraw/zinc/06/24/72/1035062472.db2.gz SXGMGHSUDPVDKX-UHFFFAOYSA-N 1 0 389.425 3.512 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)cc1 ZINC001208861614 1035064480 /nfs/dbraw/zinc/06/44/80/1035064480.db2.gz OFELTNSOXPPTKA-JTHBVZDNSA-N 1 0 377.488 3.588 20 30 GHEDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](CCCc4ccc(C#N)cc4)C3)C2)n1 ZINC001208862336 1035064890 /nfs/dbraw/zinc/06/48/90/1035064890.db2.gz VRVFPQSMFXCZKH-RPWUZVMVSA-N 1 0 391.515 3.645 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001208864971 1035065598 /nfs/dbraw/zinc/06/55/98/1035065598.db2.gz AZJVOZYQGKWDNU-UHFFFAOYSA-N 1 0 380.467 3.791 20 30 GHEDRO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001208925594 1035091617 /nfs/dbraw/zinc/09/16/17/1035091617.db2.gz IZODHOSBKNFWPH-OAQYLSRUSA-N 1 0 378.520 3.640 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1Cl ZINC001232111746 1035101353 /nfs/dbraw/zinc/10/13/53/1035101353.db2.gz HHVBBOVNXRKOBF-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001160951473 1035103464 /nfs/dbraw/zinc/10/34/64/1035103464.db2.gz MFNJLHWQNLNYLH-HOYKHHGWSA-N 1 0 399.494 3.924 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160952619 1035104154 /nfs/dbraw/zinc/10/41/54/1035104154.db2.gz WRZTZYWAOPGVGA-UTKZUKDTSA-N 1 0 379.504 3.790 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208952411 1035125729 /nfs/dbraw/zinc/12/57/29/1035125729.db2.gz SBZILGPEOIFVRX-RBZQAINGSA-N 1 0 384.564 3.582 20 30 GHEDRO CC(C)(C)C(=O)C[NH+]1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001161124372 1035149666 /nfs/dbraw/zinc/14/96/66/1035149666.db2.gz JAIFKIVRWKSIGW-UHFFFAOYSA-N 1 0 395.463 3.506 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161131861 1035153109 /nfs/dbraw/zinc/15/31/09/1035153109.db2.gz QROPUJUONSEJAL-UHFFFAOYSA-N 1 0 392.837 3.616 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCCN(C(=O)[C@@H]([NH3+])Cc3cccc4ccccc43)C2)cc1 ZINC001161324200 1035208768 /nfs/dbraw/zinc/20/87/68/1035208768.db2.gz LVFNZNAMWYRQGI-UPVQGACJSA-N 1 0 399.494 3.651 20 30 GHEDRO CC(C)N(C(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC001161443214 1035232624 /nfs/dbraw/zinc/23/26/24/1035232624.db2.gz MYPHSDYSWRTLGS-WMZHIEFXSA-N 1 0 390.531 3.503 20 30 GHEDRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001209359832 1035253276 /nfs/dbraw/zinc/25/32/76/1035253276.db2.gz RDVIRAFUKSQWGE-UHFFFAOYSA-N 1 0 386.540 3.765 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209373403 1035258923 /nfs/dbraw/zinc/25/89/23/1035258923.db2.gz MGDKKYFNVYZNAV-RXVVDRJESA-N 1 0 382.545 3.508 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)ccc(Cl)c3OC)CC2)C1=O ZINC001276639374 1035265511 /nfs/dbraw/zinc/26/55/11/1035265511.db2.gz HXMZVMRFNJTOKE-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO C#CC[C@H]([NH3+])C(=O)N([C@H](C)c1ccccc1)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001161604041 1035270662 /nfs/dbraw/zinc/27/06/62/1035270662.db2.gz LLWJBNHQPFNHCG-PVSGBFIBSA-N 1 0 376.500 3.675 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001209443560 1035275663 /nfs/dbraw/zinc/27/56/63/1035275663.db2.gz VJBNQCPAJPKTBO-YTFSRNRJSA-N 1 0 399.579 3.951 20 30 GHEDRO CCOC(=O)c1cc(C)nc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1C#N ZINC001161820136 1035308428 /nfs/dbraw/zinc/30/84/28/1035308428.db2.gz JFFMKUBXCSKIKA-FQEVSTJZSA-N 1 0 396.466 3.730 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001209677155 1035353012 /nfs/dbraw/zinc/35/30/12/1035353012.db2.gz HYGGUIXLQSQZIQ-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO Cc1ccc(Br)c(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)c1 ZINC001248155253 1035581682 /nfs/dbraw/zinc/58/16/82/1035581682.db2.gz KPSHBOFHQKGEPY-OAHLLOKOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cccc(C(F)(F)F)c3F)no2)cc1 ZINC001248156057 1035583006 /nfs/dbraw/zinc/58/30/06/1035583006.db2.gz OPUCUXVMHFHXRD-CYBMUJFWSA-N 1 0 390.340 3.879 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2cc(OC3CCC3)cc(F)c2C#N)cc1 ZINC001241783512 1035699672 /nfs/dbraw/zinc/69/96/72/1035699672.db2.gz KPTOCJRZRSTRDI-UHFFFAOYSA-N 1 0 395.478 3.977 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(-c2ccccc2Cn2cc[nH+]c2N)cc1 ZINC001242180247 1035853728 /nfs/dbraw/zinc/85/37/28/1035853728.db2.gz LRGKVRHZUCIEPM-UHFFFAOYSA-N 1 0 399.516 3.932 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=S)Nc3cc(F)ccc3F)CC2)cc1 ZINC001248610685 1035987904 /nfs/dbraw/zinc/98/79/04/1035987904.db2.gz DFCCSGHSXRDCFD-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@H+]1CCc2nc(C(=O)NCC(C)C)sc2CC1 ZINC001248751429 1036110224 /nfs/dbraw/zinc/11/02/24/1036110224.db2.gz WNKIJAYTNQXHPZ-UHFFFAOYSA-N 1 0 396.560 3.564 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@H](CO)C2)nc1C1=CC[C@H](C#N)CC1 ZINC001243794092 1036282627 /nfs/dbraw/zinc/28/26/27/1036282627.db2.gz CJVRBHGWUSDPCA-IRXDYDNUSA-N 1 0 396.535 3.587 20 30 GHEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001462094470 1069991508 /nfs/dbraw/zinc/99/15/08/1069991508.db2.gz XWAUJTIPGJCILJ-GCJKJVERSA-N 1 0 377.488 3.639 20 30 GHEDRO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246864341 1037683633 /nfs/dbraw/zinc/68/36/33/1037683633.db2.gz ONWAKKNPKWXPDH-KNQAVFIVSA-N 1 0 396.485 3.760 20 30 GHEDRO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246889478 1037706166 /nfs/dbraw/zinc/70/61/66/1037706166.db2.gz FALAOYMGVQJHAW-GMAHTHKFSA-N 1 0 378.495 3.621 20 30 GHEDRO CCOC(=O)[C@@H]1C[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)CCN1 ZINC001246893443 1037707733 /nfs/dbraw/zinc/70/77/33/1037707733.db2.gz VUHPCPNMGGFIBA-TZYHBYERSA-N 1 0 391.515 3.805 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)c(O)cc1O)[C@H]2CC ZINC001232258386 1037979937 /nfs/dbraw/zinc/97/99/37/1037979937.db2.gz WMPNZXQASREYMT-ICSRJNTNSA-N 1 0 378.900 3.673 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(SC)nc3)C[C@@H]2c2ccccc2)C1=O ZINC001232327338 1038104967 /nfs/dbraw/zinc/10/49/67/1038104967.db2.gz UQMGHOOYFYWLEP-OFNKIYASSA-N 1 0 393.556 3.808 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OCc3ccccc3)nc1)CC2 ZINC001232357794 1038137922 /nfs/dbraw/zinc/13/79/22/1038137922.db2.gz VTDMQTLCWVDGMW-UHFFFAOYSA-N 1 0 391.515 3.804 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC001232358873 1038139061 /nfs/dbraw/zinc/13/90/61/1038139061.db2.gz TXXVUVZHVYVXLS-LADGPHEKSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCC[C@@H](N)c1nc(-c2ccc(Cl)c(I)c2)no1 ZINC001247622086 1038279140 /nfs/dbraw/zinc/27/91/40/1038279140.db2.gz FPYPDVAFGBAWJL-LLVKDONJSA-N 1 0 389.624 3.961 20 30 GHEDRO C=CCCNC(=S)NC1CC[NH+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001247680096 1038314145 /nfs/dbraw/zinc/31/41/45/1038314145.db2.gz RXFKOVMPIJPZOT-UHFFFAOYSA-N 1 0 389.462 3.849 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)CC2 ZINC001232576777 1038345283 /nfs/dbraw/zinc/34/52/83/1038345283.db2.gz LQQYVTHFWVOAQD-OAQYLSRUSA-N 1 0 390.911 3.660 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc([C@@H]3CC4(CC[NH2+]CC4)c4ccccc4O3)n2)c1 ZINC001247895212 1038466486 /nfs/dbraw/zinc/46/64/86/1038466486.db2.gz VJPRELLWSAPNMU-IBGZPJMESA-N 1 0 390.418 3.892 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@H]3CO[C@]4(C3)CCC[NH2+]CC4)n2)c(C#N)c1 ZINC001247934690 1038507916 /nfs/dbraw/zinc/50/79/16/1038507916.db2.gz ZWAOZNDRHCZCGP-OPAMFIHVSA-N 1 0 380.492 3.922 20 30 GHEDRO C=CC[C@H](N)c1nc(-c2cc(Br)c(F)cc2Br)no1 ZINC001247963423 1038517342 /nfs/dbraw/zinc/51/73/42/1038517342.db2.gz QGZBVTKNIJSUAJ-JTQLQIEISA-N 1 0 391.038 3.977 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c[nH]c4ccc(O)cc34)C2)CC1 ZINC001232865444 1038624338 /nfs/dbraw/zinc/62/43/38/1038624338.db2.gz YWJKAGCBCLOMND-UHFFFAOYSA-N 1 0 383.492 3.874 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889995 1038675127 /nfs/dbraw/zinc/67/51/27/1038675127.db2.gz WJUQFEDJGRSPAB-WIYYLYMNSA-N 1 0 391.462 3.868 20 30 GHEDRO N#Cc1cc(CN2CC[NH+](CCc3cccs3)CC2)ccc1Br ZINC001232894994 1038686667 /nfs/dbraw/zinc/68/66/67/1038686667.db2.gz IHGHGNGIIDLIDU-UHFFFAOYSA-N 1 0 390.350 3.743 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c(C#N)c1 ZINC001232965877 1038740291 /nfs/dbraw/zinc/74/02/91/1038740291.db2.gz IABXSQYINYIZTQ-ZEQRLZLVSA-N 1 0 391.515 3.850 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc(C)cc3C)C[C@@H]2c2ccccc2)C1=O ZINC001233005424 1038764999 /nfs/dbraw/zinc/76/49/99/1038764999.db2.gz GYKWTFDBOQBWSG-VWNXMTODSA-N 1 0 375.516 3.703 20 30 GHEDRO O=C(CC[NH2+]C[C@@H](O)c1ccccc1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001252011091 1038808690 /nfs/dbraw/zinc/80/86/90/1038808690.db2.gz WPKSXKRUFZRBBF-RUZDIDTESA-N 1 0 396.490 3.646 20 30 GHEDRO COC[C@H]1CN(Cc2ccc(C#N)cc2C)Cc2cn(CC3CCCC3)nc21 ZINC001233079545 1038843729 /nfs/dbraw/zinc/84/37/29/1038843729.db2.gz HEMAUBRDUAGMNW-JOCHJYFZSA-N 1 0 378.520 3.999 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001233081448 1038850630 /nfs/dbraw/zinc/85/06/30/1038850630.db2.gz FEIXWUSJEDZAIN-BJKOFHAPSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001233081648 1038851214 /nfs/dbraw/zinc/85/12/14/1038851214.db2.gz KGGKOPJMLPUNBD-DNVJHFABSA-N 1 0 377.488 3.600 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001233081705 1038852250 /nfs/dbraw/zinc/85/22/50/1038852250.db2.gz MCLGKHXFDOLAJR-JOCHJYFZSA-N 1 0 377.488 3.602 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001233081300 1038852348 /nfs/dbraw/zinc/85/23/48/1038852348.db2.gz CALFICRDAFDIJJ-NRFANRHFSA-N 1 0 382.458 3.999 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)C(C)C)O2 ZINC001252125593 1038870285 /nfs/dbraw/zinc/87/02/85/1038870285.db2.gz FCCJAUOATQWAAC-QZNHQXDQSA-N 1 0 396.616 3.884 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccc(C)n1 ZINC001252126142 1038873631 /nfs/dbraw/zinc/87/36/31/1038873631.db2.gz LVUSRCUUSNNDLI-FDFHNCONSA-N 1 0 387.568 3.677 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001252128184 1038880985 /nfs/dbraw/zinc/88/09/85/1038880985.db2.gz JWWMQSIUHHFPOI-TZIWHRDSSA-N 1 0 394.600 3.638 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001252138751 1038888896 /nfs/dbraw/zinc/88/88/96/1038888896.db2.gz FUYUPFNZRWYFKX-OAQYLSRUSA-N 1 0 396.597 3.818 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccn2)CC1 ZINC001252139974 1038890004 /nfs/dbraw/zinc/89/00/04/1038890004.db2.gz WBWDZLFNZAOXBJ-VAMGGRTRSA-N 1 0 375.557 3.824 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cc(C)c(Br)c(C)c3)CC2)C1=O ZINC001277762495 1038891796 /nfs/dbraw/zinc/89/17/96/1038891796.db2.gz YGFRIFYLSZJQJU-UHFFFAOYSA-N 1 0 389.337 3.514 20 30 GHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252313829 1038939876 /nfs/dbraw/zinc/93/98/76/1038939876.db2.gz RMYKNURMVISROD-JCGVRSQUSA-N 1 0 383.414 3.529 20 30 GHEDRO C[C@@H]1CCC[N@H+](C[C@@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC001252316051 1038940481 /nfs/dbraw/zinc/94/04/81/1038940481.db2.gz DLLPDKWKGRFKER-BIENJYKASA-N 1 0 397.441 3.635 20 30 GHEDRO C[C@H]1CCCCC[N@@H+]1C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252319534 1038941526 /nfs/dbraw/zinc/94/15/26/1038941526.db2.gz IBQRYGXPQPHFML-UGSOOPFHSA-N 1 0 383.414 3.531 20 30 GHEDRO C=C[C@@](C)(O)C[N@H+]1CC[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001252551899 1039029725 /nfs/dbraw/zinc/02/97/25/1039029725.db2.gz YLWQSWQKTKTLPS-UEVCKROQSA-N 1 0 386.536 3.650 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(-c2cccc(Oc3ccnc(C#N)n3)c2)cc1 ZINC001252578646 1039037446 /nfs/dbraw/zinc/03/74/46/1039037446.db2.gz SEQMMQVGKNZQGR-HSZRJFAPSA-N 1 0 386.455 3.834 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21 ZINC001252584595 1039038066 /nfs/dbraw/zinc/03/80/66/1039038066.db2.gz CDJOMFCZHCAALA-CCDWMCETSA-N 1 0 387.479 3.919 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(CC1)Cc1ccccc1CN(CC(C)C)C2=O ZINC001252597001 1039040880 /nfs/dbraw/zinc/04/08/80/1039040880.db2.gz VAZIOYLYQOAWQX-QFIPXVFZSA-N 1 0 384.564 3.637 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc4c3CCO4)C[C@@H]2c2ccccc2)C1=O ZINC001233274795 1039043363 /nfs/dbraw/zinc/04/33/63/1039043363.db2.gz CMPOULQIKFNKCX-RDGATRHJSA-N 1 0 388.511 3.626 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001233289542 1039071544 /nfs/dbraw/zinc/07/15/44/1039071544.db2.gz YWJCYTNYWNYIHN-FQEVSTJZSA-N 1 0 378.900 3.587 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC001252766325 1039158712 /nfs/dbraw/zinc/15/87/12/1039158712.db2.gz BOGRLWPFNYSCGX-FQEVSTJZSA-N 1 0 382.504 3.654 20 30 GHEDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc(-c4ccc(C#N)cc4)c3)C[C@H]1[N@@H+]2C ZINC001233511645 1039399461 /nfs/dbraw/zinc/39/94/61/1039399461.db2.gz KIVDUUVQENFRKS-KZKAQZJJSA-N 1 0 376.456 3.771 20 30 GHEDRO C=CCCCCCC[C@@H](O)CNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC001253232766 1039486840 /nfs/dbraw/zinc/48/68/40/1039486840.db2.gz SDZVZMDVLRRVJA-ZIFCJYIRSA-N 1 0 376.545 3.698 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001253235428 1039489264 /nfs/dbraw/zinc/48/92/64/1039489264.db2.gz LMWDFQINODVQAX-MYDTUXCISA-N 1 0 388.552 3.718 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001253238185 1039494505 /nfs/dbraw/zinc/49/45/05/1039494505.db2.gz ARNGEORWSIKQDK-JOCHJYFZSA-N 1 0 384.564 3.829 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001253238861 1039496557 /nfs/dbraw/zinc/49/65/57/1039496557.db2.gz IITVYYDNSOVNTN-IFMALSPDSA-N 1 0 398.551 3.676 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCCN2Cc2ccn(C)n2)CC1 ZINC001253238922 1039497125 /nfs/dbraw/zinc/49/71/25/1039497125.db2.gz JHPXQPBNGQAKLY-JOCHJYFZSA-N 1 0 388.600 3.738 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC1(c2cc(OC)ccn2)CCOCC1 ZINC001253253706 1039504867 /nfs/dbraw/zinc/50/48/67/1039504867.db2.gz JUSZOHVFBLUSMR-LJQANCHMSA-N 1 0 376.541 3.616 20 30 GHEDRO CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)CNC(=[NH2+])c1ccc(F)cn1 ZINC001253496770 1039678469 /nfs/dbraw/zinc/67/84/69/1039678469.db2.gz ITQKFTGMHAULDM-HXUWFJFHSA-N 1 0 377.891 3.989 20 30 GHEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(CCN(CCC(F)(F)F)C2=O)C1 ZINC001277817402 1039695663 /nfs/dbraw/zinc/69/56/63/1039695663.db2.gz MMZQTQNETIMAKH-KRWDZBQOSA-N 1 0 385.817 3.588 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cccc2c(I)cccc12 ZINC001233919532 1039708072 /nfs/dbraw/zinc/70/80/72/1039708072.db2.gz YGHGQIKFVWECKL-CYBMUJFWSA-N 1 0 395.264 3.812 20 30 GHEDRO COC(=O)C1=C[C@@H](Oc2ccc(Cl)c(C#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC001233923444 1039708537 /nfs/dbraw/zinc/70/85/37/1039708537.db2.gz JTRHTRURFUJWFK-LJQANCHMSA-N 1 0 382.847 3.574 20 30 GHEDRO C=C[C@@H](O)C[N@@H+](Cc1ccc(C)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587858 1039711898 /nfs/dbraw/zinc/71/18/98/1039711898.db2.gz PHUWHZSPDCBMDL-LJQANCHMSA-N 1 0 392.515 3.883 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1cc[nH]n1 ZINC001253614436 1039723042 /nfs/dbraw/zinc/72/30/42/1039723042.db2.gz ONXRVOAYVSHFEN-NRFANRHFSA-N 1 0 383.577 3.814 20 30 GHEDRO CC(C)(NC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1)c1cccc(C#N)c1 ZINC001253682934 1039763814 /nfs/dbraw/zinc/76/38/14/1039763814.db2.gz RUTFQNDAOMPHIX-UHFFFAOYSA-N 1 0 385.471 3.853 20 30 GHEDRO CC(C)[C@@H](O)CNC(=[NH2+])c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001253781770 1039810142 /nfs/dbraw/zinc/81/01/42/1039810142.db2.gz CLFOWNQYVPNIJO-AWEZNQCLSA-N 1 0 388.514 3.904 20 30 GHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001253997709 1039942725 /nfs/dbraw/zinc/94/27/25/1039942725.db2.gz RANURPZWCSBRSB-UHFFFAOYSA-N 1 0 378.495 3.637 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001253999853 1039943381 /nfs/dbraw/zinc/94/33/81/1039943381.db2.gz MKXWUCFKTYKPRJ-QFIPXVFZSA-N 1 0 394.515 3.965 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1=O ZINC001234413416 1040015829 /nfs/dbraw/zinc/01/58/29/1040015829.db2.gz KZLFTGLSRJKDFO-LJQANCHMSA-N 1 0 384.854 3.942 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C1 ZINC001254191900 1040039980 /nfs/dbraw/zinc/03/99/80/1040039980.db2.gz JRAXBMDUHUDGMB-SFHVURJKSA-N 1 0 382.508 3.976 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](Cc1c(O)ccc3ccc(OC)cc31)CCC2 ZINC001234535997 1040108784 /nfs/dbraw/zinc/10/87/84/1040108784.db2.gz JTLOSQGQPMHCQO-UHFFFAOYSA-N 1 0 393.487 3.859 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CCCCCCN2C(=O)C=CC2=O)CC1 ZINC001254345081 1040178073 /nfs/dbraw/zinc/17/80/73/1040178073.db2.gz PUHXCIARZPXQQN-UHFFFAOYSA-N 1 0 397.494 3.605 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC001254346595 1040179980 /nfs/dbraw/zinc/17/99/80/1040179980.db2.gz RITYNYSTIMPXNF-OOMBGRCJSA-N 1 0 382.479 3.697 20 30 GHEDRO CN(C)C(=O)[C@H]1CC12CC[NH+](C1CCC(C#N)(c3ccc(F)cc3)CC1)CC2 ZINC001254357813 1040190188 /nfs/dbraw/zinc/19/01/88/1040190188.db2.gz OUNHZRDHKHDHKV-LRZVDXDASA-N 1 0 383.511 3.720 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001254480777 1040268703 /nfs/dbraw/zinc/26/87/03/1040268703.db2.gz GEEDICHUICCOMA-JOCHJYFZSA-N 1 0 382.552 3.569 20 30 GHEDRO CCC(CC)Oc1c(OC)ccc2c1[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC001234816981 1040345195 /nfs/dbraw/zinc/34/51/95/1040345195.db2.gz GNNVOQVEIZRRTE-LLJLJFOGSA-N 1 0 399.531 3.880 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)(c2ccccn2)CC1 ZINC001254650378 1040418160 /nfs/dbraw/zinc/41/81/60/1040418160.db2.gz ZWGSMPXMFFMJRT-QZTJIDSGSA-N 1 0 384.524 3.632 20 30 GHEDRO COC(=O)C(C[NH2+][C@@H]1CC[C@@H](C#N)C1)(Cc1ccccc1)Cc1ccccc1 ZINC001254647887 1040418380 /nfs/dbraw/zinc/41/83/80/1040418380.db2.gz WOIXZFCRJOZPSN-FGZHOGPDSA-N 1 0 376.500 3.913 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(Br)cc3)CC2)C1 ZINC001254656628 1040423525 /nfs/dbraw/zinc/42/35/25/1040423525.db2.gz KPPZZLKCHAHHDQ-BNEJOLLZSA-N 1 0 390.325 3.772 20 30 GHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC001254694841 1040455659 /nfs/dbraw/zinc/45/56/59/1040455659.db2.gz PADSNSMDVSJPFE-NRFANRHFSA-N 1 0 392.503 3.545 20 30 GHEDRO CCCC[N@H+](CCC#N)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254726272 1040483275 /nfs/dbraw/zinc/48/32/75/1040483275.db2.gz SQUAEZGTLOFYKZ-UHFFFAOYSA-N 1 0 379.545 3.951 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](n1cc(CC[NH3+])c3cc(C#N)ccc31)C2 ZINC001254767021 1040527357 /nfs/dbraw/zinc/52/73/57/1040527357.db2.gz NPRINHIWQOPRAC-SFHVURJKSA-N 1 0 394.519 3.976 20 30 GHEDRO O=C(CC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001254936803 1040677751 /nfs/dbraw/zinc/67/77/51/1040677751.db2.gz XDBFITOSKGXXIN-FGZHOGPDSA-N 1 0 398.506 3.670 20 30 GHEDRO CCCCCCCOc1ccc(CN2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235197551 1040687763 /nfs/dbraw/zinc/68/77/63/1040687763.db2.gz AFDJBNJHDPWIRH-QHCPKHFHSA-N 1 0 390.568 3.617 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001235213823 1040696390 /nfs/dbraw/zinc/69/63/90/1040696390.db2.gz DZAOOFJOIHFGCE-JOCHJYFZSA-N 1 0 398.551 3.513 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255141993 1040850545 /nfs/dbraw/zinc/85/05/45/1040850545.db2.gz PAQFJLOCJNZKSU-KNAFXUBQSA-N 1 0 393.575 3.683 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255141991 1040850912 /nfs/dbraw/zinc/85/09/12/1040850912.db2.gz PAQFJLOCJNZKSU-KBOSCXGNSA-N 1 0 393.575 3.683 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001255215977 1040910290 /nfs/dbraw/zinc/91/02/90/1040910290.db2.gz ZYMICIAGFFXONZ-REPLKXPHSA-N 1 0 383.492 3.553 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3ccccc3CC#N)C2)C1 ZINC001235514314 1040970094 /nfs/dbraw/zinc/97/00/94/1040970094.db2.gz LEQWBECPLLCBJU-UGKGYDQZSA-N 1 0 387.499 3.924 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1ccccc1CC#N)CC2 ZINC001235513983 1040970208 /nfs/dbraw/zinc/97/02/08/1040970208.db2.gz MTJOFZUHSOWFQC-UHFFFAOYSA-N 1 0 378.520 3.988 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CCOCC2)C1 ZINC001235516997 1040972733 /nfs/dbraw/zinc/97/27/33/1040972733.db2.gz IFXWWYIVGCCYGO-ZEQRLZLVSA-N 1 0 398.547 3.567 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3CC#N)C2)cc1 ZINC001235528648 1040976470 /nfs/dbraw/zinc/97/64/70/1040976470.db2.gz SACFLMRFZCZBTH-QFIPXVFZSA-N 1 0 377.488 3.546 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3CC#N)CC2)cc1 ZINC001235528992 1040976747 /nfs/dbraw/zinc/97/67/47/1040976747.db2.gz VIECBRNTHHQDKK-UHFFFAOYSA-N 1 0 378.476 3.547 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccn1C(=O)OC(C)(C)C)C2 ZINC001235624412 1041051561 /nfs/dbraw/zinc/05/15/61/1041051561.db2.gz BFONYMPLEHFWJS-UGKGYDQZSA-N 1 0 390.524 3.845 20 30 GHEDRO COc1ccc(C2=NO[C@H](C[NH2+]C3CC(C#N)(c4ccccc4)C3)C2)cc1F ZINC001462545571 1070347502 /nfs/dbraw/zinc/34/75/02/1070347502.db2.gz HKBKJQHTVTYEAQ-DKTYTTGXSA-N 1 0 379.435 3.541 20 30 GHEDRO COc1cc(N2CCC([NH2+]C3(c4ccc(C#N)cc4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256090737 1041519770 /nfs/dbraw/zinc/51/97/70/1041519770.db2.gz XDRKEHOMWJSMGG-UHFFFAOYSA-N 1 0 392.459 3.723 20 30 GHEDRO CSc1nc(-c2cnn(CCC[NH+](C)C)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001236148989 1041572354 /nfs/dbraw/zinc/57/23/54/1041572354.db2.gz QOGYAHNFUOJPBL-UHFFFAOYSA-N 1 0 392.532 3.861 20 30 GHEDRO CC(C)n1ncc2c1[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CCC2 ZINC001256193251 1041636724 /nfs/dbraw/zinc/63/67/24/1041636724.db2.gz BJUVUENTHLMOLY-FQEVSTJZSA-N 1 0 389.507 3.803 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001256233668 1041669731 /nfs/dbraw/zinc/66/97/31/1041669731.db2.gz XGDGYUITMWXYRL-VGOFRKELSA-N 1 0 377.488 3.625 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001256294765 1041688508 /nfs/dbraw/zinc/68/85/08/1041688508.db2.gz FWWFOOGVBSUOOB-HXUWFJFHSA-N 1 0 385.508 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001256297929 1041691080 /nfs/dbraw/zinc/69/10/80/1041691080.db2.gz TXSKDRFCVISQFM-FQEVSTJZSA-N 1 0 385.508 3.801 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001256300100 1041691539 /nfs/dbraw/zinc/69/15/39/1041691539.db2.gz NYKNGCXNQSJXIQ-HXUWFJFHSA-N 1 0 397.950 3.804 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256307170 1041694840 /nfs/dbraw/zinc/69/48/40/1041694840.db2.gz KETRGUPSORMRHG-UHFFFAOYSA-N 1 0 391.943 3.933 20 30 GHEDRO C[C@H](CC(=O)N1CCOCC1)[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001256350314 1041708143 /nfs/dbraw/zinc/70/81/43/1041708143.db2.gz UBTMTCOBEFQASJ-UXHICEINSA-N 1 0 391.515 3.759 20 30 GHEDRO C=CCOc1ccc(CN(Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)cc1 ZINC001236464295 1041725790 /nfs/dbraw/zinc/72/57/90/1041725790.db2.gz DKGBYZNPBSDKJB-UHFFFAOYSA-N 1 0 394.515 3.792 20 30 GHEDRO C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CCN1C(=O)OC(C)(C)C ZINC001256460193 1041742164 /nfs/dbraw/zinc/74/21/64/1041742164.db2.gz YXFHQLOCAKXKTO-QAPCUYQASA-N 1 0 382.508 3.975 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(C(=O)OC)c1)[C@H]2CC ZINC001236773596 1041884544 /nfs/dbraw/zinc/88/45/44/1041884544.db2.gz PEXXFUIWISVKJZ-UGKGYDQZSA-N 1 0 388.483 3.534 20 30 GHEDRO N#Cc1ccc(CN2CC[NH+](CCc3cccs3)CC2)cc1Br ZINC001236861635 1041932584 /nfs/dbraw/zinc/93/25/84/1041932584.db2.gz ANVCJIJOBVQPSC-UHFFFAOYSA-N 1 0 390.350 3.743 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(-n4cccn4)c(Cl)c3)C2)C1=O ZINC001236896304 1041943893 /nfs/dbraw/zinc/94/38/93/1041943893.db2.gz FFAROUKYAQMIIH-NRFANRHFSA-N 1 0 384.911 3.526 20 30 GHEDRO COCCCN(Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236950099 1041967962 /nfs/dbraw/zinc/96/79/62/1041967962.db2.gz ZUBCULSOCRAPTJ-QHCPKHFHSA-N 1 0 378.520 3.527 20 30 GHEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc(F)c(N4CCOCC4)c3)CC2)c1 ZINC001236958849 1041969999 /nfs/dbraw/zinc/96/99/99/1041969999.db2.gz VXDMULVQJCSELZ-UHFFFAOYSA-N 1 0 379.479 3.914 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(F)c(N3CCCC3)c1)C2 ZINC001237086315 1042028445 /nfs/dbraw/zinc/02/84/45/1042028445.db2.gz APUWWFXPQFEIJS-GOTSBHOMSA-N 1 0 388.527 4.000 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(F)c(N4CCCC4)c3)C2)CC1 ZINC001237092377 1042032781 /nfs/dbraw/zinc/03/27/81/1042032781.db2.gz LOQZVWMUERFCKW-UHFFFAOYSA-N 1 0 387.499 3.646 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnc3c(OC)cccc13)CC2 ZINC001237107417 1042041261 /nfs/dbraw/zinc/04/12/61/1042041261.db2.gz CAFMFUISIPSRET-QHCPKHFHSA-N 1 0 379.504 3.777 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237134725 1042056795 /nfs/dbraw/zinc/05/67/95/1042056795.db2.gz AXKKPIHAVAZQDJ-UHFFFAOYSA-N 1 0 384.398 3.631 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237137177 1042059752 /nfs/dbraw/zinc/05/97/52/1042059752.db2.gz MGZQQZOPCNNQHB-MOPGFXCFSA-N 1 0 385.426 3.985 20 30 GHEDRO Cn1cc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c2cc(C#N)ccc21 ZINC001237465036 1042218802 /nfs/dbraw/zinc/21/88/02/1042218802.db2.gz GIUOEJQQBDNSLT-UHFFFAOYSA-N 1 0 394.519 3.883 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c2cc(C#N)ccc21 ZINC001237466338 1042219823 /nfs/dbraw/zinc/21/98/23/1042219823.db2.gz KLGGKMKSOOSEJQ-FQEVSTJZSA-N 1 0 379.504 3.600 20 30 GHEDRO Cn1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c2cc(C#N)ccc21 ZINC001237471693 1042223018 /nfs/dbraw/zinc/22/30/18/1042223018.db2.gz XWPLSJDXQSJKKP-UHFFFAOYSA-N 1 0 378.520 3.665 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(I)c1[O-] ZINC001237785370 1042368355 /nfs/dbraw/zinc/36/83/55/1042368355.db2.gz DSSXFXIXWLWLCU-UHFFFAOYSA-N 1 0 378.213 3.500 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cnc(C5CC5)s4)C3)CC2=O)c1 ZINC001237790156 1042370778 /nfs/dbraw/zinc/37/07/78/1042370778.db2.gz RHMUJLHMZMQKLT-NRFANRHFSA-N 1 0 378.501 3.521 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3csc(-c4cccc(F)c4)n3)C2)C1=O ZINC001237969633 1042440403 /nfs/dbraw/zinc/44/04/03/1042440403.db2.gz IWEVTDWMSGPBSZ-OAQYLSRUSA-N 1 0 385.508 3.950 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC001238083326 1042486086 /nfs/dbraw/zinc/48/60/86/1042486086.db2.gz RLXMZBZZJBFKER-HNNXBMFYSA-N 1 0 375.900 3.900 20 30 GHEDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001238190530 1042514474 /nfs/dbraw/zinc/51/44/74/1042514474.db2.gz DDVCXGKZHBHUGE-UHFFFAOYSA-N 1 0 383.927 3.543 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cncc(C4CC4)c3)CC2)cc1 ZINC001238193165 1042515632 /nfs/dbraw/zinc/51/56/32/1042515632.db2.gz HSLWDTJAQXOLSA-UHFFFAOYSA-N 1 0 375.476 3.617 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c(F)ccnc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001238230812 1042526241 /nfs/dbraw/zinc/52/62/41/1042526241.db2.gz XCSVDIBGBFKFCJ-GCJKJVERSA-N 1 0 399.897 3.878 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001238286705 1042541639 /nfs/dbraw/zinc/54/16/39/1042541639.db2.gz XAWHSKMXVRLDEK-IBGZPJMESA-N 1 0 388.618 3.595 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cncc(OCc3ccccc3)c1)C2 ZINC001238363689 1042570281 /nfs/dbraw/zinc/57/02/81/1042570281.db2.gz CGKHXDKXAAHAJW-DNQXCXABSA-N 1 0 394.515 3.987 20 30 GHEDRO CC(C)Oc1c(F)ccc(CN2CCCN(c3ccc(C#N)cn3)CC2)c1F ZINC001238530453 1042630688 /nfs/dbraw/zinc/63/06/88/1042630688.db2.gz YMPMHUKRXRCJGL-UHFFFAOYSA-N 1 0 386.446 3.731 20 30 GHEDRO CCCCCCCCS(=O)(=O)N(Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001239145639 1042772805 /nfs/dbraw/zinc/77/28/05/1042772805.db2.gz HFLGPZTYHVPSSJ-UHFFFAOYSA-N 1 0 396.597 3.940 20 30 GHEDRO N#Cc1c(NC(=O)NCc2ccc(Cl)cc2Cl)sc2c1CC[NH2+]C2 ZINC001239182278 1042781497 /nfs/dbraw/zinc/78/14/97/1042781497.db2.gz NQJIVQCIOYNZKL-UHFFFAOYSA-N 1 0 381.288 3.894 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH2+]CC2 ZINC001239182917 1042781717 /nfs/dbraw/zinc/78/17/17/1042781717.db2.gz UODJBKSETMPUAX-UHFFFAOYSA-N 1 0 382.367 3.808 20 30 GHEDRO N#Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1N1CC[NH2+]CC1 ZINC001239190700 1042782853 /nfs/dbraw/zinc/78/28/53/1042782853.db2.gz RHRJCHWOFCJHMK-UHFFFAOYSA-N 1 0 390.274 3.919 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001239218629 1042788305 /nfs/dbraw/zinc/78/83/05/1042788305.db2.gz FRTJBJAKWWLAPA-GOSISDBHSA-N 1 0 380.536 3.865 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)cc1 ZINC001239245038 1042795791 /nfs/dbraw/zinc/79/57/91/1042795791.db2.gz OHZRDQPVDLEKDG-UHFFFAOYSA-N 1 0 382.895 3.946 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)Oc1ccc(Br)cc1)C[NH2+]CC2 ZINC001239311095 1042806948 /nfs/dbraw/zinc/80/69/48/1042806948.db2.gz UHFFHLMZGVVSPW-UHFFFAOYSA-N 1 0 378.251 3.639 20 30 GHEDRO CCCCCCCCCNC(=S)Nc1c(O)cccc1N1CC[NH2+]CC1 ZINC001239347973 1042812032 /nfs/dbraw/zinc/81/20/32/1042812032.db2.gz RSDXRMXRVPJGHA-UHFFFAOYSA-N 1 0 378.586 3.839 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@H]2CCC3(C2)CC[NH2+]CC3)cc1C(F)(F)F ZINC001239361048 1042812953 /nfs/dbraw/zinc/81/29/53/1042812953.db2.gz KXIWADMONGSHKM-AWEZNQCLSA-N 1 0 382.455 3.786 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N1CCNC2(CC[NH2+]CC2)C1 ZINC001239417875 1042824859 /nfs/dbraw/zinc/82/48/59/1042824859.db2.gz WIJGLWICLUTMII-UHFFFAOYSA-N 1 0 382.662 3.809 20 30 GHEDRO CCCCCCCCCNC(=S)N1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001239418621 1042824947 /nfs/dbraw/zinc/82/49/47/1042824947.db2.gz CKPHUIUCWXPJPC-GOSISDBHSA-N 1 0 397.629 3.619 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@@]3(CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239419939 1042825283 /nfs/dbraw/zinc/82/52/83/1042825283.db2.gz VBPSFDSHGSFLSG-QGZVFWFLSA-N 1 0 382.455 3.739 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239433715 1042828207 /nfs/dbraw/zinc/82/82/07/1042828207.db2.gz IKNKXEWSZDDPED-HUUCEWRRSA-N 1 0 396.482 3.985 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001239437466 1042829931 /nfs/dbraw/zinc/82/99/31/1042829931.db2.gz YTNOXWQHAUFZDU-QZTJIDSGSA-N 1 0 385.618 3.604 20 30 GHEDRO COC(=O)c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1OC(F)(F)F ZINC001240355471 1042922755 /nfs/dbraw/zinc/92/27/55/1042922755.db2.gz GUTOPVKLJBGDJU-UHFFFAOYSA-N 1 0 376.334 3.597 20 30 GHEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001291218202 1043158715 /nfs/dbraw/zinc/15/87/15/1043158715.db2.gz OZEKREMLPTUECO-KDURUIRLSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC001256568883 1043542960 /nfs/dbraw/zinc/54/29/60/1043542960.db2.gz JGAIUXVWYMQCFE-UHFFFAOYSA-N 1 0 377.573 3.750 20 30 GHEDRO Cn1cnc2c1cc(C1CC[NH2+]CC1)nc2N(CC1CC1)C1CCC(C#N)CC1 ZINC001256966859 1043775561 /nfs/dbraw/zinc/77/55/61/1043775561.db2.gz PWJRLZHQNCTJFJ-UHFFFAOYSA-N 1 0 392.551 3.734 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OC2CC[NH+](C3CCC(C#N)CC3)CC2)CC1 ZINC001256964650 1043775984 /nfs/dbraw/zinc/77/59/84/1043775984.db2.gz YXBUVBVCKARXQW-UHFFFAOYSA-N 1 0 391.556 3.949 20 30 GHEDRO N#CC1CCC([N@@H+]2CCc3c(c(COc4ccccn4)nn3CC3CC3)C2)CC1 ZINC001256968648 1043776433 /nfs/dbraw/zinc/77/64/33/1043776433.db2.gz XPZAZHFCXRRQSS-UHFFFAOYSA-N 1 0 391.519 3.708 20 30 GHEDRO N#CC1CCC([N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CC1 ZINC001256967610 1043777354 /nfs/dbraw/zinc/77/73/54/1043777354.db2.gz FSROBPXNGXPYOT-ZVEIZMFXSA-N 1 0 381.520 3.512 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC001257013210 1043799624 /nfs/dbraw/zinc/79/96/24/1043799624.db2.gz DDOXYVAEWFWBKU-DAWZGUTISA-N 1 0 379.426 3.727 20 30 GHEDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001257016799 1043800189 /nfs/dbraw/zinc/80/01/89/1043800189.db2.gz IVDSCTRXDXPEMB-UPSGKMMVSA-N 1 0 382.504 3.629 20 30 GHEDRO COc1ccnc(N2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC001257021753 1043804473 /nfs/dbraw/zinc/80/44/73/1043804473.db2.gz AVXKOFIOIIUVTQ-UHFFFAOYSA-N 1 0 376.504 3.810 20 30 GHEDRO CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257019663 1043805993 /nfs/dbraw/zinc/80/59/93/1043805993.db2.gz TWPWOCPOOHHWDW-HRTMPFAESA-N 1 0 397.563 3.980 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001257062104 1043825558 /nfs/dbraw/zinc/82/55/58/1043825558.db2.gz AZICYZHOARTXHV-ZBFHGGJFSA-N 1 0 376.884 3.787 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H](C)CCC(=O)OCCCC)C2)CC1 ZINC001257393168 1043981226 /nfs/dbraw/zinc/98/12/26/1043981226.db2.gz LPHJWCNRXRYXMM-LJQANCHMSA-N 1 0 394.556 3.999 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)CC1 ZINC001293023031 1043988809 /nfs/dbraw/zinc/98/88/09/1043988809.db2.gz HKFCPUVECVJWPE-SFHVURJKSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCOCc1nn([C@@H](C)Cc2ccc(Br)cc2)c2c1C[NH2+]C2 ZINC001257563429 1044048749 /nfs/dbraw/zinc/04/87/49/1044048749.db2.gz KQWUEKSIHHAEET-ZDUSSCGKSA-N 1 0 376.298 3.755 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+]([C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257568736 1044053486 /nfs/dbraw/zinc/05/34/86/1044053486.db2.gz QYLRIDYVHRUBCH-AWEZNQCLSA-N 1 0 379.298 3.549 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C2 ZINC001257652818 1044101234 /nfs/dbraw/zinc/10/12/34/1044101234.db2.gz SZLOAAPVYYYXPM-OZIGNCPNSA-N 1 0 394.556 3.601 20 30 GHEDRO C=CC[N@@H+](C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)N2C(=O)OC(C)(C)C)C(C)(C)C ZINC001257787304 1044171996 /nfs/dbraw/zinc/17/19/96/1044171996.db2.gz ILUDPRVIAGIKNU-OWCVQMPJSA-N 1 0 394.556 3.993 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H](NC(=[NH2+])c1ccc(C#N)cc1)C2 ZINC001257795055 1044179361 /nfs/dbraw/zinc/17/93/61/1044179361.db2.gz ZPXGHSSOLZLEET-GCJKJVERSA-N 1 0 382.508 3.833 20 30 GHEDRO CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001293466920 1044197179 /nfs/dbraw/zinc/19/71/79/1044197179.db2.gz NKJRHIYVLUOWEX-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3OCCc4cn(CC5CCOCC5)nc43)C[C@H](C1)C2 ZINC001257886491 1044243289 /nfs/dbraw/zinc/24/32/89/1044243289.db2.gz HNJUZEGGACJDEE-UPWVYKOGSA-N 1 0 385.552 3.648 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3OCCc4cn(Cc5ccccn5)nc43)C[C@H](C1)C2 ZINC001257886838 1044244941 /nfs/dbraw/zinc/24/49/41/1044244941.db2.gz NCNZBYXQOAYCMC-ZSYLPADVSA-N 1 0 378.520 3.665 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(C[C@H](c5cccnc5)C(=O)N4C)CC3)C[C@H](C1)C2 ZINC001257892262 1044247811 /nfs/dbraw/zinc/24/78/11/1044247811.db2.gz WXEDROKVGDXELU-SQUIKTEWSA-N 1 0 379.548 3.997 20 30 GHEDRO CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001293683224 1044293093 /nfs/dbraw/zinc/29/30/93/1044293093.db2.gz MLJMAVSSMYBWPG-VKUXZERMSA-N 1 0 390.535 3.848 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)CC1 ZINC001293932674 1044388033 /nfs/dbraw/zinc/38/80/33/1044388033.db2.gz MKWLYSYCJLVSGO-UHFFFAOYSA-N 1 0 391.515 3.652 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142743 1044428941 /nfs/dbraw/zinc/42/89/41/1044428941.db2.gz KIVOBYKQILKDBN-RUZDIDTESA-N 1 0 395.591 3.727 20 30 GHEDRO C[C@@H](Cc1ccco1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001258191296 1044464295 /nfs/dbraw/zinc/46/42/95/1044464295.db2.gz DZTSNGYGKZKPIP-WMZHIEFXSA-N 1 0 379.504 3.701 20 30 GHEDRO C[C@H](CC(C)(C)SCc1ccco1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001258313742 1044503223 /nfs/dbraw/zinc/50/32/23/1044503223.db2.gz IRBPZACCQZPMPH-MRXNPFEDSA-N 1 0 385.537 3.554 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001294217280 1044530123 /nfs/dbraw/zinc/53/01/23/1044530123.db2.gz GHECZOCFJCDWTI-MSOLQXFVSA-N 1 0 380.540 3.783 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001294217738 1044530456 /nfs/dbraw/zinc/53/04/56/1044530456.db2.gz LDDHYRMBSGSCKJ-PZJWPPBQSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCC[C@@H](C)[NH2+]CCN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001258724515 1044733667 /nfs/dbraw/zinc/73/36/67/1044733667.db2.gz YLLDDRGNHIQEFE-MRXNPFEDSA-N 1 0 385.549 3.693 20 30 GHEDRO C=CCC[C@H](C)N(CC(C)C)c1nc2c(cc1C(=O)NC(C)C)CC[NH2+]CC2 ZINC001258727238 1044733704 /nfs/dbraw/zinc/73/37/04/1044733704.db2.gz CTLRFWYSHXKIND-SFHVURJKSA-N 1 0 386.584 3.725 20 30 GHEDRO C=CCC[C@@H](C)[NH+]1CCN([C@H](c2ccccc2)c2nc(OC)cc(OC)n2)CC1 ZINC001258730940 1044736055 /nfs/dbraw/zinc/73/60/55/1044736055.db2.gz RBAXARRFGUATIC-XMSQKQJNSA-N 1 0 396.535 3.556 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)Cc1ccccc1OC)CC2 ZINC001258888407 1044837706 /nfs/dbraw/zinc/83/77/06/1044837706.db2.gz IKOMDEWFNXTPBC-GOSISDBHSA-N 1 0 395.547 3.994 20 30 GHEDRO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001295136064 1044927954 /nfs/dbraw/zinc/92/79/54/1044927954.db2.gz CKKCTGIMMQXAQY-HXUWFJFHSA-N 1 0 399.535 3.570 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(C)C ZINC001296060392 1045237993 /nfs/dbraw/zinc/23/79/93/1045237993.db2.gz ACUFIRMLXNEKQG-HXUWFJFHSA-N 1 0 380.540 3.783 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC001261658853 1046055311 /nfs/dbraw/zinc/05/53/11/1046055311.db2.gz SBRXOOVNMQEGSL-PMACEKPBSA-N 1 0 380.467 3.677 20 30 GHEDRO C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001300830016 1046198356 /nfs/dbraw/zinc/19/83/56/1046198356.db2.gz CFPWMQAGHFQNDT-CQSZACIVSA-N 1 0 396.377 3.765 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001300907217 1046233798 /nfs/dbraw/zinc/23/37/98/1046233798.db2.gz DCVNUHMGTXTWGX-FQEVSTJZSA-N 1 0 397.567 3.503 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300946056 1046255040 /nfs/dbraw/zinc/25/50/40/1046255040.db2.gz BKUOEBJGJVROBP-UHFFFAOYSA-N 1 0 378.524 3.923 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001301072536 1046319991 /nfs/dbraw/zinc/31/99/91/1046319991.db2.gz KRZNUEINMLQPCL-UHFFFAOYSA-N 1 0 398.511 3.740 20 30 GHEDRO C=C1CCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCCCC2)CC1 ZINC001301089491 1046333395 /nfs/dbraw/zinc/33/33/95/1046333395.db2.gz XBBBQDJANLMPOS-UHFFFAOYSA-N 1 0 379.552 3.706 20 30 GHEDRO C=C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001301091532 1046336296 /nfs/dbraw/zinc/33/62/96/1046336296.db2.gz HVRDCQXXIWDXOZ-UHFFFAOYSA-N 1 0 395.551 3.540 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001301095682 1046338701 /nfs/dbraw/zinc/33/87/01/1046338701.db2.gz LMQNZDVWHYYRFS-QGZVFWFLSA-N 1 0 399.514 3.635 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001301118963 1046355055 /nfs/dbraw/zinc/35/50/55/1046355055.db2.gz QISBNJDIMIHRFC-IBGZPJMESA-N 1 0 392.507 3.638 20 30 GHEDRO C=CCCCCn1c(CC)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001301188409 1046392769 /nfs/dbraw/zinc/39/27/69/1046392769.db2.gz JJGZOWTYZMPZKW-OYRHEFFESA-N 1 0 379.552 3.765 20 30 GHEDRO C=CCCCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001301198016 1046399013 /nfs/dbraw/zinc/39/90/13/1046399013.db2.gz VTMRPJOECXITIC-WOJBJXKFSA-N 1 0 387.572 3.798 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1 ZINC001463082972 1070780179 /nfs/dbraw/zinc/78/01/79/1070780179.db2.gz AUDAWGFOEFJVLQ-UHFFFAOYSA-N 1 0 388.511 3.926 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccn2C)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001301286189 1046454093 /nfs/dbraw/zinc/45/40/93/1046454093.db2.gz KEWWAUGHDRKPPE-LJQANCHMSA-N 1 0 394.523 3.726 20 30 GHEDRO C=CCn1c(CCC[N@H+](C)Cc2c(C)noc2C)nnc1N1CCC[C@@H]1CC ZINC001262976701 1046462222 /nfs/dbraw/zinc/46/22/22/1046462222.db2.gz MXJYFJCWMVKUTL-SFHVURJKSA-N 1 0 386.544 3.512 20 30 GHEDRO C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001301304655 1046466267 /nfs/dbraw/zinc/46/62/67/1046466267.db2.gz HBRMAORTAWAZHC-HXUWFJFHSA-N 1 0 395.551 3.805 20 30 GHEDRO CCn1c([C@@H](C)Cc2ccc(C#N)cc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001263018966 1046507297 /nfs/dbraw/zinc/50/72/97/1046507297.db2.gz XPJJDYRKJPBHCF-SFHVURJKSA-N 1 0 394.567 3.826 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001301384296 1046519646 /nfs/dbraw/zinc/51/96/46/1046519646.db2.gz OQPHKBZEKBXLNL-FQEVSTJZSA-N 1 0 394.567 3.887 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001301391938 1046522547 /nfs/dbraw/zinc/52/25/47/1046522547.db2.gz ZVPQGFFMXBXXJZ-IBGZPJMESA-N 1 0 387.572 3.820 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC001301518572 1046575918 /nfs/dbraw/zinc/57/59/18/1046575918.db2.gz KGDNJFDINNXXDP-HXUWFJFHSA-N 1 0 395.551 3.689 20 30 GHEDRO C=C(C)Cn1c(CN2CCCC2)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001263287436 1046682643 /nfs/dbraw/zinc/68/26/43/1046682643.db2.gz IHGWKNPUKZAGIE-SFHVURJKSA-N 1 0 397.571 3.681 20 30 GHEDRO CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C#N)[NH+]1CCCC1 ZINC001301958326 1046760752 /nfs/dbraw/zinc/76/07/52/1046760752.db2.gz BAYJZCNNOKJHKX-XLIONFOSSA-N 1 0 398.530 3.800 20 30 GHEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001302514469 1046960070 /nfs/dbraw/zinc/96/00/70/1046960070.db2.gz QLVZPKKAPYEVRX-OAQYLSRUSA-N 1 0 392.551 3.926 20 30 GHEDRO O=C(/C=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001302570597 1046983130 /nfs/dbraw/zinc/98/31/30/1046983130.db2.gz RQCGYIZQQQEZIZ-YXAHYSCSSA-N 1 0 380.463 3.579 20 30 GHEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC1)[NH+](C)C ZINC001302813142 1047119520 /nfs/dbraw/zinc/11/95/20/1047119520.db2.gz VNPKQXXJAQYQBU-FQEVSTJZSA-N 1 0 380.540 3.639 20 30 GHEDRO CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001302841348 1047135289 /nfs/dbraw/zinc/13/52/89/1047135289.db2.gz KMTZCDZSLVLEMF-NRFANRHFSA-N 1 0 396.583 3.961 20 30 GHEDRO C=CCCC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC001303115530 1047281071 /nfs/dbraw/zinc/28/10/71/1047281071.db2.gz NPPIAFIWZXXDGO-JOCHJYFZSA-N 1 0 392.547 3.808 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CCC(C#N)CC2)C1 ZINC001303305955 1047351668 /nfs/dbraw/zinc/35/16/68/1047351668.db2.gz XAODERJYKRFWCN-LJQANCHMSA-N 1 0 384.572 3.796 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1C#N ZINC001303540994 1047420152 /nfs/dbraw/zinc/42/01/52/1047420152.db2.gz WFLOUKWKKQDIGH-AWEZNQCLSA-N 1 0 384.549 3.641 20 30 GHEDRO C[C@@H](Cn1c(N(C)Cc2cccc(C#N)c2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001303750988 1047504233 /nfs/dbraw/zinc/50/42/33/1047504233.db2.gz FQQVPOKXZGIHMH-GOSISDBHSA-N 1 0 394.567 3.816 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](CC#N)c3ccccc3)cc2F)CC1 ZINC001264950138 1047521578 /nfs/dbraw/zinc/52/15/78/1047521578.db2.gz FBKJKSSIOQJUOQ-FQEVSTJZSA-N 1 0 394.494 3.992 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@@H+](C)C(C)C ZINC001304534292 1047704812 /nfs/dbraw/zinc/70/48/12/1047704812.db2.gz MDEUBBYAQRHQFU-JOCHJYFZSA-N 1 0 380.540 3.724 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001279364296 1047781939 /nfs/dbraw/zinc/78/19/39/1047781939.db2.gz JSYOKNOVORXPAC-QHCPKHFHSA-N 1 0 387.527 3.959 20 30 GHEDRO CCCCCCC/C=C/C[NH2+][C@@]12CC[C@@](NS(=O)(=O)N(C)C)(C1)CCC2 ZINC001279480846 1047820129 /nfs/dbraw/zinc/82/01/29/1047820129.db2.gz FXWGHQAESKUVAE-RRCSEMEMSA-N 1 0 385.618 3.734 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024976 1047840483 /nfs/dbraw/zinc/84/04/83/1047840483.db2.gz KAOCYKWBHXLIAC-GUDVDZBRSA-N 1 0 386.588 3.870 20 30 GHEDRO C[C@H]1CCC[N@H+](CCn2c(-c3ccccc3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001305047724 1047855479 /nfs/dbraw/zinc/85/54/79/1047855479.db2.gz COGAEUPQEJRSQX-IBGZPJMESA-N 1 0 392.551 3.807 20 30 GHEDRO CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001305072375 1047873971 /nfs/dbraw/zinc/87/39/71/1047873971.db2.gz COENANADDWBJLP-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001279831565 1047962589 /nfs/dbraw/zinc/96/25/89/1047962589.db2.gz KSIRAZLLMUDDFR-GBESFXJTSA-N 1 0 380.598 3.566 20 30 GHEDRO C=CCCCNC(=S)N1CCC[C@@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001279936402 1047994877 /nfs/dbraw/zinc/99/48/77/1047994877.db2.gz NFMHDQJJYKDKMX-HXUWFJFHSA-N 1 0 392.638 3.970 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305450688 1048062388 /nfs/dbraw/zinc/06/23/88/1048062388.db2.gz OGUDOIRDBUAIIC-QMTMVMCOSA-N 1 0 390.532 3.598 20 30 GHEDRO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](CCCc2ccc(Cl)c(Cl)c2)C3)C1 ZINC001280055080 1048066549 /nfs/dbraw/zinc/06/65/49/1048066549.db2.gz RQSNMZHRJOIKMM-INIZCTEOSA-N 1 0 392.330 3.620 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CCSC23C[NH+](CCCC2CCCCC2)C3)CCC1 ZINC001280158041 1048110036 /nfs/dbraw/zinc/11/00/36/1048110036.db2.gz QOZVTIVQOVCGAX-GOSISDBHSA-N 1 0 375.582 3.717 20 30 GHEDRO CC[C@H](c1nnc(N(C)C[C@H](C)C#N)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001305656673 1048205199 /nfs/dbraw/zinc/20/51/99/1048205199.db2.gz QKTOGLZBFCNVFW-CTNGQTDRSA-N 1 0 394.567 3.902 20 30 GHEDRO CC[C@H](c1nnc(N(C)C[C@@H](C)C#N)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001305656674 1048205304 /nfs/dbraw/zinc/20/53/04/1048205304.db2.gz QKTOGLZBFCNVFW-FPOVZHCZSA-N 1 0 394.567 3.902 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001286284334 1048254227 /nfs/dbraw/zinc/25/42/27/1048254227.db2.gz BEKQPOHHSJXMEB-ZWKOTPCHSA-N 1 0 390.535 3.759 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)[NH+](CC)CC ZINC001286288269 1048256525 /nfs/dbraw/zinc/25/65/25/1048256525.db2.gz RVSZPYWBVZSSAK-QZTJIDSGSA-N 1 0 392.551 3.625 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1 ZINC001286292416 1048259190 /nfs/dbraw/zinc/25/91/90/1048259190.db2.gz IEZDNPZIWUWPTB-VQTJNVASSA-N 1 0 387.572 3.634 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286295668 1048259532 /nfs/dbraw/zinc/25/95/32/1048259532.db2.gz KELPGNCAEGKPEP-LJQANCHMSA-N 1 0 393.579 3.773 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)C[NH+](C)C ZINC001286301516 1048263474 /nfs/dbraw/zinc/26/34/74/1048263474.db2.gz MHDDDJIPWJSONL-IBGZPJMESA-N 1 0 397.567 3.520 20 30 GHEDRO C#CCCCCn1c(C2CC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001286324889 1048272910 /nfs/dbraw/zinc/27/29/10/1048272910.db2.gz TYKSXNBMZALYMZ-FQEVSTJZSA-N 1 0 383.584 3.907 20 30 GHEDRO C#CCN(CC#C)c1nnc(C(C)(C)C)n1Cc1cccc(C[NH+](CC)CC)c1 ZINC001286395833 1048301275 /nfs/dbraw/zinc/30/12/75/1048301275.db2.gz AMWAXWADLQXKLR-UHFFFAOYSA-N 1 0 391.563 3.539 20 30 GHEDRO CCc1ccc([C@@H](Cn2c(CC3CC3)nnc2N(C)C[C@@H](C)C#N)[NH+](C)C)cc1 ZINC001305916158 1048307465 /nfs/dbraw/zinc/30/74/65/1048307465.db2.gz CJLZCCWYSTZVFY-LAUBAEHRSA-N 1 0 394.567 3.692 20 30 GHEDRO C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001286408532 1048308966 /nfs/dbraw/zinc/30/89/66/1048308966.db2.gz CVDFVMNZKJRAJP-LJQANCHMSA-N 1 0 395.551 3.616 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001286437119 1048320293 /nfs/dbraw/zinc/32/02/93/1048320293.db2.gz IEXPXCNPVIFDOJ-FQEVSTJZSA-N 1 0 391.563 3.549 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001286517073 1048344545 /nfs/dbraw/zinc/34/45/45/1048344545.db2.gz ONSFOKILONUDSH-PGRDOPGGSA-N 1 0 381.524 3.713 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001286524047 1048349677 /nfs/dbraw/zinc/34/96/77/1048349677.db2.gz CWWGCDFUXQFNBQ-LAUBAEHRSA-N 1 0 383.565 3.587 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC1CC[NH+](CCC)CC1 ZINC001286571287 1048371215 /nfs/dbraw/zinc/37/12/15/1048371215.db2.gz LIQPYGYUCCWNMI-UHFFFAOYSA-N 1 0 384.572 3.808 20 30 GHEDRO C=C(Cn1c(CC(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC001286617448 1048389329 /nfs/dbraw/zinc/38/93/29/1048389329.db2.gz LRTFTEVHDVYQLO-CTNGQTDRSA-N 1 0 379.552 3.863 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306078790 1048396707 /nfs/dbraw/zinc/39/67/07/1048396707.db2.gz FAJOLTSFRAZSAY-FDDCHVKYSA-N 1 0 394.567 3.859 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001286647843 1048415399 /nfs/dbraw/zinc/41/53/99/1048415399.db2.gz MPEQBSHBWZOYFE-NRFANRHFSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286669446 1048434261 /nfs/dbraw/zinc/43/42/61/1048434261.db2.gz GJXLPKPKOGBMGW-GOSISDBHSA-N 1 0 382.556 3.940 20 30 GHEDRO C=CCCCn1c(C(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001286693539 1048453652 /nfs/dbraw/zinc/45/36/52/1048453652.db2.gz SSVDMXDWVLUXHH-UHFFFAOYSA-N 1 0 378.524 3.562 20 30 GHEDRO C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286698032 1048458833 /nfs/dbraw/zinc/45/88/33/1048458833.db2.gz JKUCFQMPGJSIPF-UHFFFAOYSA-N 1 0 378.524 3.923 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286724520 1048482379 /nfs/dbraw/zinc/48/23/79/1048482379.db2.gz JNAWMLCPVLPWSF-OAQYLSRUSA-N 1 0 395.551 3.590 20 30 GHEDRO C=CCN(C)c1nnc(CC2CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001286730024 1048487473 /nfs/dbraw/zinc/48/74/73/1048487473.db2.gz LCDJMUDJIRQFGL-OAQYLSRUSA-N 1 0 379.552 3.998 20 30 GHEDRO C=CCN(c1nnc(C2CCC2)n1CC[N@@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC001286738394 1048497354 /nfs/dbraw/zinc/49/73/54/1048497354.db2.gz YAQPONRPYZBRAE-UHFFFAOYSA-N 1 0 383.515 3.972 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286970408 1048561890 /nfs/dbraw/zinc/56/18/90/1048561890.db2.gz NZNIFISLEMQKRT-GUDVDZBRSA-N 1 0 386.588 3.585 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001287391688 1048754534 /nfs/dbraw/zinc/75/45/34/1048754534.db2.gz YXVMGSYYQNSZLB-LJQANCHMSA-N 1 0 391.515 3.744 20 30 GHEDRO CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001306693280 1048820073 /nfs/dbraw/zinc/82/00/73/1048820073.db2.gz GSCXLAGTHPFAKV-LJQANCHMSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1cc(C#N)c(Br)cn1 ZINC001306973011 1048987126 /nfs/dbraw/zinc/98/71/26/1048987126.db2.gz ZDPVGXKUWOIXAS-HNNXBMFYSA-N 1 0 385.309 3.817 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCC1)C[NH+]1CCCC1 ZINC001288691121 1049200229 /nfs/dbraw/zinc/20/02/29/1049200229.db2.gz VHCUAGDWEKUMTL-GOSISDBHSA-N 1 0 392.551 3.785 20 30 GHEDRO C#CCN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](C)CC1 ZINC001289195434 1049362048 /nfs/dbraw/zinc/36/20/48/1049362048.db2.gz LLHNTZSKTDLVQG-QPJJXVBHSA-N 1 0 384.829 3.928 20 30 GHEDRO C#CCN(C(=O)c1cc(Cl)c(OCCCC)c(OC)c1)C1CC[NH+](C)CC1 ZINC001289195572 1049362817 /nfs/dbraw/zinc/36/28/17/1049362817.db2.gz OVVLMMZYKRZNEO-UHFFFAOYSA-N 1 0 392.927 3.697 20 30 GHEDRO C#CC[N@H+](CC1CC1)[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001307588061 1049425420 /nfs/dbraw/zinc/42/54/20/1049425420.db2.gz IDFYJFNLMXDUIE-SFHVURJKSA-N 1 0 389.337 3.907 20 30 GHEDRO CC(C)([C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001307608111 1049447456 /nfs/dbraw/zinc/44/74/56/1049447456.db2.gz QYAZRTCMYLOMJX-YLJYHZDGSA-N 1 0 391.506 3.915 20 30 GHEDRO C[C@H](O)[C@H]1C[C@@H](C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001307687635 1049506916 /nfs/dbraw/zinc/50/69/16/1049506916.db2.gz GEHZNYDIWZSDII-LDDOYCOJSA-N 1 0 389.565 3.554 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710776 1049525320 /nfs/dbraw/zinc/52/53/20/1049525320.db2.gz OMNJCELVIRUBBG-IBGZPJMESA-N 1 0 386.442 3.531 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001289585242 1049549759 /nfs/dbraw/zinc/54/97/59/1049549759.db2.gz RNPZIZGSUIWRQC-XMSQKQJNSA-N 1 0 398.555 3.953 20 30 GHEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC001307893620 1049672068 /nfs/dbraw/zinc/67/20/68/1049672068.db2.gz AWUZEAAFXNFMKZ-FOIQADDNSA-N 1 0 388.556 3.807 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC3(CCc4ccccc4C3)CC2)cc1 ZINC001307902104 1049679538 /nfs/dbraw/zinc/67/95/38/1049679538.db2.gz SDMDGUOZNXKVPU-QHCPKHFHSA-N 1 0 390.527 3.763 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](c1ccco1)[NH+](C)C ZINC001290095152 1049728591 /nfs/dbraw/zinc/72/85/91/1049728591.db2.gz YHUWSFQIEGIDPL-PKOBYXMFSA-N 1 0 392.507 3.888 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc1Cl ZINC001308007191 1049756485 /nfs/dbraw/zinc/75/64/85/1049756485.db2.gz XSYWWFUTFTXCCO-CVEARBPZSA-N 1 0 377.941 3.580 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2([C@H]3CCCCO3)CC2)ccc1Cl ZINC001308106077 1049852286 /nfs/dbraw/zinc/85/22/86/1049852286.db2.gz XCPWIPLUXWMKIW-GOSISDBHSA-N 1 0 375.900 3.586 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCSCc1ccccc1C#N)CC(F)F ZINC001308186495 1049905023 /nfs/dbraw/zinc/90/50/23/1049905023.db2.gz YYQTXEIVMRTLMB-INIZCTEOSA-N 1 0 399.507 3.930 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCOc1ccc(F)cc1F ZINC001308302319 1049943119 /nfs/dbraw/zinc/94/31/19/1049943119.db2.gz ZPWRHLICYGJVJQ-UHFFFAOYSA-N 1 0 396.231 3.908 20 30 GHEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC001290883892 1049943239 /nfs/dbraw/zinc/94/32/39/1049943239.db2.gz JJEJPYGPUDODIA-DENIHFKCSA-N 1 0 397.906 3.781 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001308367112 1049959651 /nfs/dbraw/zinc/95/96/51/1049959651.db2.gz CCIFOBTYRKURMQ-INIZCTEOSA-N 1 0 391.496 3.723 20 30 GHEDRO Cc1cc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)ncc1C#N ZINC001290980954 1049964201 /nfs/dbraw/zinc/96/42/01/1049964201.db2.gz OCMYHWGSSNKFDB-CALCHBBNSA-N 1 0 376.504 3.670 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC001308389223 1049964823 /nfs/dbraw/zinc/96/48/23/1049964823.db2.gz BJILUXQTXBQAAK-INIZCTEOSA-N 1 0 383.648 3.936 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNCc1cnn(CC2CCC2)c1 ZINC001308536026 1050001848 /nfs/dbraw/zinc/00/18/48/1050001848.db2.gz BMCRQHJNAGTZBL-UHFFFAOYSA-N 1 0 388.309 3.748 20 30 GHEDRO COc1cccc([C@H](O)C2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)c1 ZINC001308888734 1050140839 /nfs/dbraw/zinc/14/08/39/1050140839.db2.gz ISJCIVUHMJAFLU-HSZRJFAPSA-N 1 0 379.504 3.578 20 30 GHEDRO CCOC(=O)[C@]12CCC[C@H]1C[C@@H]([NH2+]C1CCN(c3ccccc3C#N)CC1)C2 ZINC001308892477 1050142934 /nfs/dbraw/zinc/14/29/34/1050142934.db2.gz ZZVRGYZUNYKENW-NOXFTYBFSA-N 1 0 381.520 3.629 20 30 GHEDRO C#Cc1ccc(S(=O)(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC001309088589 1050339423 /nfs/dbraw/zinc/33/94/23/1050339423.db2.gz SPXVQLZQWRCSFB-NQIIRXRSSA-N 1 0 382.529 3.514 20 30 GHEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001327975158 1050342537 /nfs/dbraw/zinc/34/25/37/1050342537.db2.gz GBCDWUPIKUSTPU-AWEZNQCLSA-N 1 0 386.293 3.870 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC001327976027 1050342916 /nfs/dbraw/zinc/34/29/16/1050342916.db2.gz WRLUERQETDCZJF-UHFFFAOYSA-N 1 0 377.366 3.618 20 30 GHEDRO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]Cc1cccc(OCC#N)c1 ZINC001327977635 1050343743 /nfs/dbraw/zinc/34/37/43/1050343743.db2.gz IPIJVIGHIRDILU-HXUWFJFHSA-N 1 0 382.504 3.724 20 30 GHEDRO C#CCC(CC#C)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001328033362 1050367888 /nfs/dbraw/zinc/36/78/88/1050367888.db2.gz NYKBGBUJFZREAC-QHCPKHFHSA-N 1 0 376.544 3.798 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001329184802 1050742272 /nfs/dbraw/zinc/74/22/72/1050742272.db2.gz RQSHHLCMTYZQRD-PWRODBHTSA-N 1 0 396.556 3.767 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCc3ccc(OC(F)(F)F)cc3)C2)nc1 ZINC001330203023 1050975050 /nfs/dbraw/zinc/97/50/50/1050975050.db2.gz UBWJYGJBURJBKU-QGZVFWFLSA-N 1 0 377.366 3.548 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCCC1 ZINC001310211551 1051226920 /nfs/dbraw/zinc/22/69/20/1051226920.db2.gz WWSBEFBELAUQHK-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO CS(C)(=O)=Nc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC001331597580 1051334712 /nfs/dbraw/zinc/33/47/12/1051334712.db2.gz PQNJFCGIVHJLAY-UHFFFAOYSA-N 1 0 382.533 3.994 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001332343421 1051504497 /nfs/dbraw/zinc/50/44/97/1051504497.db2.gz JHDBWVICJQZGOD-JKSUJKDBSA-N 1 0 376.501 3.801 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1 ZINC001310857686 1051657200 /nfs/dbraw/zinc/65/72/00/1051657200.db2.gz DGMWGQNXDVAXCW-NSHDSACASA-N 1 0 384.292 3.746 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(C#N)c(F)cc1F ZINC001311137501 1051896289 /nfs/dbraw/zinc/89/62/89/1051896289.db2.gz NGQDPGDRCFGTQB-LIRRHRJNSA-N 1 0 384.430 3.869 20 30 GHEDRO C#Cc1ccc(NC(=O)NCc2ccc(OCC[NH+](CC)CC)c(OC)c2)cc1 ZINC001311300298 1051999580 /nfs/dbraw/zinc/99/95/80/1051999580.db2.gz UDLPYAOEHBUVFM-UHFFFAOYSA-N 1 0 395.503 3.719 20 30 GHEDRO C=C(C)c1cccc(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001311299998 1051999722 /nfs/dbraw/zinc/99/97/22/1051999722.db2.gz XNQZXXLPPVOEQP-UHFFFAOYSA-N 1 0 378.520 3.659 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC001335413166 1052095407 /nfs/dbraw/zinc/09/54/07/1052095407.db2.gz NDWNSXBXZBVHJI-OAQYLSRUSA-N 1 0 387.886 3.638 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001311574549 1052256569 /nfs/dbraw/zinc/25/65/69/1052256569.db2.gz ZHHOZNGNEILXCJ-OAQYLSRUSA-N 1 0 381.520 3.916 20 30 GHEDRO N#CCC[C@H](NC(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC001336863114 1052353678 /nfs/dbraw/zinc/35/36/78/1052353678.db2.gz JXDAMFSSVPLKDA-SXWKCWPCSA-N 1 0 390.487 3.587 20 30 GHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1)CC(C)C ZINC001337181760 1052417938 /nfs/dbraw/zinc/41/79/38/1052417938.db2.gz OYHRZKJZKNVUOC-UHFFFAOYSA-N 1 0 391.581 3.521 20 30 GHEDRO C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311823329 1052422103 /nfs/dbraw/zinc/42/21/03/1052422103.db2.gz URJHHCVUYJDDCW-HKUYNNGSSA-N 1 0 388.531 3.779 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC001312674834 1052833274 /nfs/dbraw/zinc/83/32/74/1052833274.db2.gz JELYTAYSVFYLMJ-PGRDOPGGSA-N 1 0 379.504 3.714 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[C@H]3C3CC3)CC2)cc1 ZINC001312856150 1052894507 /nfs/dbraw/zinc/89/45/07/1052894507.db2.gz HQMUVXLIVVGTKE-YADHBBJMSA-N 1 0 380.536 3.602 20 30 GHEDRO C#C[C@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC001312942970 1052917375 /nfs/dbraw/zinc/91/73/75/1052917375.db2.gz NQVOJEFVTDBAEK-FQEVSTJZSA-N 1 0 385.870 3.679 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001313448774 1053057307 /nfs/dbraw/zinc/05/73/07/1053057307.db2.gz OUGUYGYQALUHJS-FQEVSTJZSA-N 1 0 380.540 3.784 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001342280592 1053069171 /nfs/dbraw/zinc/06/91/71/1053069171.db2.gz MBKAEVJDQFABNS-LJQANCHMSA-N 1 0 398.555 3.910 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001342295690 1053082408 /nfs/dbraw/zinc/08/24/08/1053082408.db2.gz FKCLMPPVCWYRGF-HXUWFJFHSA-N 1 0 387.572 3.533 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCC(CC#N)CC1)C(C)C ZINC001313808360 1053241030 /nfs/dbraw/zinc/24/10/30/1053241030.db2.gz GDEDGIMMSWUWOW-UHFFFAOYSA-N 1 0 384.528 3.707 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)C ZINC001313908120 1053283891 /nfs/dbraw/zinc/28/38/91/1053283891.db2.gz MARINHUVFAYBFU-HXUWFJFHSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)C ZINC001313908117 1053284065 /nfs/dbraw/zinc/28/40/65/1053284065.db2.gz MARINHUVFAYBFU-FQEVSTJZSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(C2CCN(CCC#N)CC2)n1CC ZINC001342685259 1053298965 /nfs/dbraw/zinc/29/89/65/1053298965.db2.gz HNZVIDDJDODERF-UHFFFAOYSA-N 1 0 378.524 3.584 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001342887801 1053411433 /nfs/dbraw/zinc/41/14/33/1053411433.db2.gz VASRQOCADOPPPG-QWFCFKBJSA-N 1 0 382.556 3.568 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001314729114 1053580023 /nfs/dbraw/zinc/58/00/23/1053580023.db2.gz HBVLMMBRUKOUIH-IBGZPJMESA-N 1 0 392.551 3.568 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001343232637 1053637021 /nfs/dbraw/zinc/63/70/21/1053637021.db2.gz JICLCRQBALFFSM-TYPHKJRUSA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC(C)(C)C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343344357 1053717761 /nfs/dbraw/zinc/71/77/61/1053717761.db2.gz KFACCSRHYOJIGY-GOSISDBHSA-N 1 0 389.588 3.779 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@H]3C[C@H]3C#N)n2CC(C)C)CC1)CC1CC1 ZINC001343556750 1053877143 /nfs/dbraw/zinc/87/71/43/1053877143.db2.gz HNTGRXVSFJFQOD-SFTDATJTSA-N 1 0 398.599 3.900 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001343766188 1054009501 /nfs/dbraw/zinc/00/95/01/1054009501.db2.gz VGJYQHVCXAJUPE-LJQANCHMSA-N 1 0 396.583 3.958 20 30 GHEDRO CC(C)[C@@H]1C[C@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001344039881 1054205229 /nfs/dbraw/zinc/20/52/29/1054205229.db2.gz ZAIHHICPGIXYMY-RTWAWAEBSA-N 1 0 384.520 3.787 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OCC#N)cc1 ZINC001318666442 1054783797 /nfs/dbraw/zinc/78/37/97/1054783797.db2.gz XETKGSNUFSGTOK-HXUWFJFHSA-N 1 0 393.491 3.502 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC001318885662 1054934707 /nfs/dbraw/zinc/93/47/07/1054934707.db2.gz AFUBHTDRLOEYDM-GHTZIAJQSA-N 1 0 399.560 3.796 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001318888052 1054936054 /nfs/dbraw/zinc/93/60/54/1054936054.db2.gz PNOTVHCXMYVGHP-SFHVURJKSA-N 1 0 397.544 3.606 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2CC2CC2)C1 ZINC001345385991 1055016300 /nfs/dbraw/zinc/01/63/00/1055016300.db2.gz CGSJSFVRMWDOHH-CVDCTZTESA-N 1 0 396.583 3.582 20 30 GHEDRO Cc1c(C(=O)OC[C@H](C#N)Cc2ccccc2Br)ccc2c[nH+]cn21 ZINC001345719102 1055221777 /nfs/dbraw/zinc/22/17/77/1055221777.db2.gz KEGUJXTZXHKFRL-AWEZNQCLSA-N 1 0 398.260 3.945 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC001320035354 1055611812 /nfs/dbraw/zinc/61/18/12/1055611812.db2.gz XNRYEXVHMZXRID-CNNODRBYSA-N 1 0 385.552 3.651 20 30 GHEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001320132424 1055667913 /nfs/dbraw/zinc/66/79/13/1055667913.db2.gz XCDUZMRPFUTXDI-LZQZEXGQSA-N 1 0 375.472 3.906 20 30 GHEDRO C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300469964 1056208182 /nfs/dbraw/zinc/20/81/82/1056208182.db2.gz FJDXCWJDZNMICD-OAQYLSRUSA-N 1 0 393.579 3.643 20 30 GHEDRO Fc1ccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c(C(F)(F)F)c1 ZINC001200639177 1056557858 /nfs/dbraw/zinc/55/78/58/1056557858.db2.gz DDHZIRVCUFLSRS-UHFFFAOYSA-N 1 0 382.283 3.855 20 30 GHEDRO C#CCN(CC)c1nnc(CC(C)(C)C)n1Cc1ccnc(N2CCCCC2)c1 ZINC001300630853 1056725877 /nfs/dbraw/zinc/72/58/77/1056725877.db2.gz HUEVCVYLMNRBKD-UHFFFAOYSA-N 1 0 394.567 3.760 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCc2ccc(OCC#N)cc2)c1 ZINC001322731293 1056823683 /nfs/dbraw/zinc/82/36/83/1056823683.db2.gz JSTKQVKWAWRYNE-QFIPXVFZSA-N 1 0 377.488 3.568 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000848540101 1057161533 /nfs/dbraw/zinc/16/15/33/1057161533.db2.gz WARWSWNXFBJNDH-GOSISDBHSA-N 1 0 386.879 3.736 20 30 GHEDRO C=CCn1c([C@H](O)CCCCC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001355855831 1057294270 /nfs/dbraw/zinc/29/42/70/1057294270.db2.gz RQJYWUXBSREFET-YSIASYRMSA-N 1 0 387.572 3.531 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001355931338 1057321514 /nfs/dbraw/zinc/32/15/14/1057321514.db2.gz URGRQPUMDCIFBU-UHFFFAOYSA-N 1 0 395.551 3.521 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001356093784 1057387246 /nfs/dbraw/zinc/38/72/46/1057387246.db2.gz DKZOFASSAQOUGB-IRXDYDNUSA-N 1 0 379.499 3.679 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001356100877 1057389332 /nfs/dbraw/zinc/38/93/32/1057389332.db2.gz OXAUQPSFYAASFX-OALUTQOASA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001356177512 1057418800 /nfs/dbraw/zinc/41/88/00/1057418800.db2.gz OWOBBGCJDGEHSQ-MGNMYUMUSA-N 1 0 379.499 3.503 20 30 GHEDRO C=CCn1c([C@@H](O)CC2CCCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001356214253 1057432758 /nfs/dbraw/zinc/43/27/58/1057432758.db2.gz BKMWQMRLNJIFIL-UXHICEINSA-N 1 0 389.588 3.636 20 30 GHEDRO COCCn1cc(C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)cn1 ZINC000848986927 1057489915 /nfs/dbraw/zinc/48/99/15/1057489915.db2.gz ALEHBSKTCXGXQE-UHFFFAOYSA-N 1 0 377.492 3.596 20 30 GHEDRO C[N@@H+]1CC[C@H](Nc2ncc(Br)cc2C#N)[C@H]1c1ccc(F)cc1 ZINC001326492905 1057495763 /nfs/dbraw/zinc/49/57/63/1057495763.db2.gz SKMRYRFFDLFKBB-JKSUJKDBSA-N 1 0 375.245 3.712 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H](O)c1cc(OC)ccc1OC ZINC000849061650 1057572720 /nfs/dbraw/zinc/57/27/20/1057572720.db2.gz VTYNSBQQMCBEQU-NRFANRHFSA-N 1 0 399.535 3.581 20 30 GHEDRO O=S(=O)(CCC[NH+]=C(Nc1ccccc1)N1CCCCC1)Cc1ccccc1 ZINC000849068960 1057579185 /nfs/dbraw/zinc/57/91/85/1057579185.db2.gz DAAQIOHQQZZYCI-UHFFFAOYSA-N 1 0 399.560 3.946 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000849081794 1057585079 /nfs/dbraw/zinc/58/50/79/1057585079.db2.gz NDUCHWBUYRUIRG-IRXDYDNUSA-N 1 0 385.512 3.507 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001357144026 1057614915 /nfs/dbraw/zinc/61/49/15/1057614915.db2.gz GOCHIARETYTDEP-XDNAFOTISA-N 1 0 393.526 3.924 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC001440381215 1058508014 /nfs/dbraw/zinc/50/80/14/1058508014.db2.gz ZTWISACPPANJTH-HSZRJFAPSA-N 1 0 392.499 3.664 20 30 GHEDRO Cn1c([C@@H]2CCCCN2Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001338394821 1058545965 /nfs/dbraw/zinc/54/59/65/1058545965.db2.gz NGNNIKMIOWXTLS-QFIPXVFZSA-N 1 0 398.514 3.934 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001338622834 1058690010 /nfs/dbraw/zinc/69/00/10/1058690010.db2.gz WPAJXLJIAPBPGO-UHFFFAOYSA-N 1 0 375.586 3.529 20 30 GHEDRO C=CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC[C@@H](CF)C1 ZINC001338625078 1058693686 /nfs/dbraw/zinc/69/36/86/1058693686.db2.gz AYDMGGSWZZPDKM-SFHVURJKSA-N 1 0 398.530 3.737 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(c2nnc(N3CCC(CC#N)CC3)n2C)C1 ZINC001338659401 1058714603 /nfs/dbraw/zinc/71/46/03/1058714603.db2.gz SMOXCSTXHZCPLS-VGSWGCGISA-N 1 0 396.514 3.577 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc(C#N)ccc3C)CC2)c1 ZINC001441248798 1058738311 /nfs/dbraw/zinc/73/83/11/1058738311.db2.gz XPRSVGQMUPZVPU-UHFFFAOYSA-N 1 0 390.531 3.507 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 ZINC001441505564 1058800376 /nfs/dbraw/zinc/80/03/76/1058800376.db2.gz BYLVBLVASGQDAB-UHFFFAOYSA-N 1 0 385.439 3.533 20 30 GHEDRO C=CCn1c(-c2cccc3ccncc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001338892274 1058861574 /nfs/dbraw/zinc/86/15/74/1058861574.db2.gz CKDBBTOZGMOMKC-SFHVURJKSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCn1c(-c2cncc3ccccc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001339022732 1058927355 /nfs/dbraw/zinc/92/73/55/1058927355.db2.gz QWYAPBGUUAVZTJ-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(C)c(Br)s1)C(C)C ZINC001443425418 1059126374 /nfs/dbraw/zinc/12/63/74/1059126374.db2.gz INDJSLKJLBKBDF-CYBMUJFWSA-N 1 0 386.359 3.642 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)cc(Br)c1N)C(C)C ZINC001443432629 1059130314 /nfs/dbraw/zinc/13/03/14/1059130314.db2.gz XKUBCGQOLQMNIO-KRWDZBQOSA-N 1 0 394.357 3.768 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001339497348 1059256523 /nfs/dbraw/zinc/25/65/23/1059256523.db2.gz CLBIMHICTVVIFQ-PZJWPPBQSA-N 1 0 392.551 3.625 20 30 GHEDRO CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001545966446 1059289910 /nfs/dbraw/zinc/28/99/10/1059289910.db2.gz FAAKFRIHYLRAOW-IBGZPJMESA-N 1 0 378.524 3.680 20 30 GHEDRO CCn1c(CC(C)(C)C#N)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001339760656 1059449696 /nfs/dbraw/zinc/44/96/96/1059449696.db2.gz LEJZUXYCZYDRCU-GOSISDBHSA-N 1 0 386.588 3.871 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339799146 1059482829 /nfs/dbraw/zinc/48/28/29/1059482829.db2.gz WCDLAVFFKYKTTQ-OALUTQOASA-N 1 0 389.588 3.692 20 30 GHEDRO CCN(c1nnc(CC(C)(C)C#N)n1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001340052665 1059652618 /nfs/dbraw/zinc/65/26/18/1059652618.db2.gz ANKQPYSFLOAYKL-IEBWSBKVSA-N 1 0 380.540 3.569 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001340313479 1059849568 /nfs/dbraw/zinc/84/95/68/1059849568.db2.gz ZTFKJHUGXURNCB-HNNXBMFYSA-N 1 0 386.569 3.633 20 30 GHEDRO O=C(CC#Cc1ccccc1)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC001340377070 1059901141 /nfs/dbraw/zinc/90/11/41/1059901141.db2.gz ZPFFHUKFHPNAPF-UHFFFAOYSA-N 1 0 389.499 3.881 20 30 GHEDRO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001340500069 1059954168 /nfs/dbraw/zinc/95/41/68/1059954168.db2.gz CPTBFKAMLPJCIP-GOSISDBHSA-N 1 0 384.528 3.520 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3C[C@H]3C#N)n2Cc2ccccc2)CC1 ZINC001340558741 1059975120 /nfs/dbraw/zinc/97/51/20/1059975120.db2.gz QPVFSLFJWNEXBA-SFTDATJTSA-N 1 0 392.551 3.510 20 30 GHEDRO C=CCn1c(-c2ccc([C@@H](C)O)cc2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001340740809 1060087912 /nfs/dbraw/zinc/08/79/12/1060087912.db2.gz CQVSSNNRXHDMDI-GOSISDBHSA-N 1 0 395.551 3.639 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001340882924 1060220638 /nfs/dbraw/zinc/22/06/38/1060220638.db2.gz QMWCCXXUXRZBJY-UHFFFAOYSA-N 1 0 392.551 3.808 20 30 GHEDRO CC(C)[C@H]1CN(c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)CC[N@@H+]1C ZINC001341144010 1060447941 /nfs/dbraw/zinc/44/79/41/1060447941.db2.gz FXYKDRFMOCBTCK-AZUAARDMSA-N 1 0 380.540 3.510 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001341151815 1060453813 /nfs/dbraw/zinc/45/38/13/1060453813.db2.gz QQUNFPBRFDHWOG-MOPGFXCFSA-N 1 0 380.540 3.664 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)[C@@H](C)C1 ZINC001341882498 1060935077 /nfs/dbraw/zinc/93/50/77/1060935077.db2.gz PMGYOYVCWSTANU-DYXWJJEUSA-N 1 0 394.567 3.900 20 30 GHEDRO C=C(C)Cn1c(-c2ccco2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001341921586 1060952210 /nfs/dbraw/zinc/95/22/10/1060952210.db2.gz WSMRPYRVDROCLU-UHFFFAOYSA-N 1 0 377.492 3.745 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC001342210932 1061139365 /nfs/dbraw/zinc/13/93/65/1061139365.db2.gz AWCPDMJXWZEPBH-LJQANCHMSA-N 1 0 391.943 3.539 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(C(C)(C)CC#N)n2CC2CC2)C1 ZINC001346033974 1061307627 /nfs/dbraw/zinc/30/76/27/1061307627.db2.gz MZTUVDKDMLNTIZ-AZUAARDMSA-N 1 0 398.599 3.970 20 30 GHEDRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc2c[nH+]cn2c1C ZINC001346064836 1061334595 /nfs/dbraw/zinc/33/45/95/1061334595.db2.gz JMRVWUZRVLCCBG-HNNXBMFYSA-N 1 0 396.834 3.574 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[NH+]2CCCCC2)o1 ZINC001361175859 1061686375 /nfs/dbraw/zinc/68/63/75/1061686375.db2.gz WYPWJLLRFUSZCS-MRXNPFEDSA-N 1 0 384.528 3.707 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)c2cccc(C)c2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001346743577 1061842866 /nfs/dbraw/zinc/84/28/66/1061842866.db2.gz OGVPULNDSBLSQD-NRFANRHFSA-N 1 0 397.567 3.520 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001492788714 1061925558 /nfs/dbraw/zinc/92/55/58/1061925558.db2.gz ZZUSEDYYTBOUIN-NRFANRHFSA-N 1 0 392.551 3.748 20 30 GHEDRO N#Cc1ccc(C(=O)O[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001347302506 1062284418 /nfs/dbraw/zinc/28/44/18/1062284418.db2.gz XOPNLTWQFISADP-JOCHJYFZSA-N 1 0 390.483 3.929 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001456194688 1062547028 /nfs/dbraw/zinc/54/70/28/1062547028.db2.gz KBQUMOIETUQJLP-IBGZPJMESA-N 1 0 397.563 3.667 20 30 GHEDRO C[N@H+](CCCOc1ccccc1CNC(=O)c1ccc(C#N)o1)C1CCCC1 ZINC001457166768 1062994983 /nfs/dbraw/zinc/99/49/83/1062994983.db2.gz UQVCDMBFZJZUGT-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO Cc1nc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)cc1C#N ZINC001458111577 1063574438 /nfs/dbraw/zinc/57/44/38/1063574438.db2.gz AFDSDIRLTDCJDJ-UHFFFAOYSA-N 1 0 383.927 3.929 20 30 GHEDRO N#Cc1cccc2c1CCN2C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001436918017 1063705693 /nfs/dbraw/zinc/70/56/93/1063705693.db2.gz DDOJDZQEZQTDLH-NRFANRHFSA-N 1 0 399.416 3.902 20 30 GHEDRO N#Cc1cccc2c1CCN2C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001436918025 1063705753 /nfs/dbraw/zinc/70/57/53/1063705753.db2.gz DDOJDZQEZQTDLH-OAQYLSRUSA-N 1 0 399.416 3.902 20 30 GHEDRO N#Cc1cnc(NCc2ccc(Nc3cc[nH+]cc3)cc2)c(Br)c1 ZINC001458514568 1063860357 /nfs/dbraw/zinc/86/03/57/1063860357.db2.gz IDCIRWGCCJULKZ-UHFFFAOYSA-N 1 0 380.249 3.888 20 30 GHEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC001459526636 1064120904 /nfs/dbraw/zinc/12/09/04/1064120904.db2.gz FCGBGDHDUQDXFL-REWPJTCUSA-N 1 0 396.579 3.542 20 30 GHEDRO C[N@@H+]1C[C@@]23CN(C(=O)N[C@@H](CCCC#N)c4ccccc4)C[C@]2(C1)CCCC3 ZINC001351177810 1064293930 /nfs/dbraw/zinc/29/39/30/1064293930.db2.gz BBJIAVWVENZJHF-ACIOBRDBSA-N 1 0 380.536 3.939 20 30 GHEDRO CC[C@@H](C[N@H+](C)CC(=O)N(CC)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC001459958677 1064304208 /nfs/dbraw/zinc/30/42/08/1064304208.db2.gz AIZXDZAXMPCNBU-AWEZNQCLSA-N 1 0 386.323 3.845 20 30 GHEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459987768 1064323528 /nfs/dbraw/zinc/32/35/28/1064323528.db2.gz IYRBDYHJEXRRKV-CRAIPNDOSA-N 1 0 380.454 3.978 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2CCC(C)([NH+]3CCCC3)CC2)n1CC1CC1 ZINC001351358295 1064401411 /nfs/dbraw/zinc/40/14/11/1064401411.db2.gz DORMGFBLSVOCLN-UHFFFAOYSA-N 1 0 384.572 3.724 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C[C@H]1C(F)(F)F ZINC001351991794 1064750026 /nfs/dbraw/zinc/75/00/26/1064750026.db2.gz WTSQBZHAJMGXJG-DJIMGWMZSA-N 1 0 384.398 3.589 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000847194561 1064874135 /nfs/dbraw/zinc/87/41/35/1064874135.db2.gz ACVMUHHERDEZSW-OAHLLOKOSA-N 1 0 375.900 3.690 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@H](C)c1ccco1 ZINC001352151555 1064886564 /nfs/dbraw/zinc/88/65/64/1064886564.db2.gz ONBBWLBZKNSGGT-AEFFLSMTSA-N 1 0 385.512 3.570 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001464208816 1064907792 /nfs/dbraw/zinc/90/77/92/1064907792.db2.gz CEXQBSSHNZTNBU-HDICACEKSA-N 1 0 391.515 3.975 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@@H](C)c1ccsc1 ZINC001352191327 1064919577 /nfs/dbraw/zinc/91/95/77/1064919577.db2.gz SKDMWTWJYSQFPR-HNNXBMFYSA-N 1 0 397.552 3.884 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCCc3cccc(O)c3)CC2)c1 ZINC001352401694 1065020468 /nfs/dbraw/zinc/02/04/68/1065020468.db2.gz PWFFPHJAPQWUNC-UHFFFAOYSA-N 1 0 391.515 3.757 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C(=O)OC)c(F)cc1F)C(C)C ZINC001465214287 1065466457 /nfs/dbraw/zinc/46/64/57/1065466457.db2.gz XFAUMMRUAQANEA-GOSISDBHSA-N 1 0 395.450 3.572 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[NH+](CC)CC ZINC001300274472 1065904784 /nfs/dbraw/zinc/90/47/84/1065904784.db2.gz KVTBIKIRLRMGMC-HXUWFJFHSA-N 1 0 393.579 3.938 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001300274738 1065905331 /nfs/dbraw/zinc/90/53/31/1065905331.db2.gz MJZAFWOLIGBEGW-DZFGPLHGSA-N 1 0 379.552 3.618 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+](CC)C(C)C ZINC001300293187 1065940878 /nfs/dbraw/zinc/94/08/78/1065940878.db2.gz OXXZGSPGCQFGJR-SFHVURJKSA-N 1 0 390.535 3.682 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CC2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300302805 1065956985 /nfs/dbraw/zinc/95/69/85/1065956985.db2.gz DUDUOKGOLXATOY-IRFCIJBXSA-N 1 0 391.563 3.914 20 30 GHEDRO C/C(=C\c1ccncc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746492 1066014965 /nfs/dbraw/zinc/01/49/65/1066014965.db2.gz JPOJXDOVTFAUTC-XDJHFCHBSA-N 1 0 375.472 3.834 20 30 GHEDRO Cn1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C2CCC2)n1 ZINC000847746635 1066015010 /nfs/dbraw/zinc/01/50/10/1066015010.db2.gz PCQRPBSKZGPJSZ-UHFFFAOYSA-N 1 0 392.503 3.650 20 30 GHEDRO CSc1cccnc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746589 1066015721 /nfs/dbraw/zinc/01/57/21/1066015721.db2.gz NSLAGRSQKMGKRY-UHFFFAOYSA-N 1 0 381.501 3.766 20 30 GHEDRO N#CC1(COC(=O)c2ccc3cnccc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000847746488 1066016252 /nfs/dbraw/zinc/01/62/52/1066016252.db2.gz JNLNWZQWWAKTSQ-UHFFFAOYSA-N 1 0 386.455 3.593 20 30 GHEDRO Cc1cnccc1/C=C\C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746192 1066018737 /nfs/dbraw/zinc/01/87/37/1066018737.db2.gz BIFDGIKGIUHNQB-FPLPWBNLSA-N 1 0 375.472 3.752 20 30 GHEDRO N#CC1(COC(=O)COCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847745836 1066020964 /nfs/dbraw/zinc/02/09/64/1066020964.db2.gz QRNPPRNTDZYNSF-UHFFFAOYSA-N 1 0 378.472 3.552 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2nnc(C(C)C)n2c1)C(C)C ZINC001466195053 1066027628 /nfs/dbraw/zinc/02/76/28/1066027628.db2.gz DSCWYFFAMSTNRE-GOSISDBHSA-N 1 0 384.528 3.673 20 30 GHEDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748564 1066028502 /nfs/dbraw/zinc/02/85/02/1066028502.db2.gz DJKGRVKUJVITKV-UHFFFAOYSA-N 1 0 393.443 3.866 20 30 GHEDRO N#CC1(COC(=O)c2cc(=O)[nH]c(C3CC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000847747845 1066033451 /nfs/dbraw/zinc/03/34/51/1066033451.db2.gz RMAFPMRDFYRXOY-UHFFFAOYSA-N 1 0 391.471 3.627 20 30 GHEDRO N#CC1(COC(=O)c2cc3c(s2)CCOC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847749543 1066036704 /nfs/dbraw/zinc/03/67/04/1066036704.db2.gz SXWVGWLQOXGBNY-UHFFFAOYSA-N 1 0 396.512 3.784 20 30 GHEDRO Cc1cncc(/C=C/C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847749720 1066042203 /nfs/dbraw/zinc/04/22/03/1066042203.db2.gz ZNQMBUOBTOKSLH-BQYQJAHWSA-N 1 0 375.472 3.752 20 30 GHEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001300347122 1066060949 /nfs/dbraw/zinc/06/09/49/1066060949.db2.gz AHBSVLYTZHTBHQ-KNQAVFIVSA-N 1 0 391.563 3.984 20 30 GHEDRO C#CCN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300432686 1066315918 /nfs/dbraw/zinc/31/59/18/1066315918.db2.gz NQJLHYLODAKJHY-FUHWJXTLSA-N 1 0 385.581 3.790 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC001466816461 1066333447 /nfs/dbraw/zinc/33/34/47/1066333447.db2.gz GJFCRAWYGAXJHG-UHFFFAOYSA-N 1 0 396.329 3.867 20 30 GHEDRO N#CCC[C@@H](NC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1)c1ccccc1 ZINC001357262600 1067022637 /nfs/dbraw/zinc/02/26/37/1067022637.db2.gz TVQXRBRKVIGETC-OAQYLSRUSA-N 1 0 376.504 3.734 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC001467168419 1067115983 /nfs/dbraw/zinc/11/59/83/1067115983.db2.gz NTBXKXMUBZOCTQ-GOSISDBHSA-N 1 0 394.523 3.579 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C ZINC001467729113 1067439722 /nfs/dbraw/zinc/43/97/22/1067439722.db2.gz ZSBDZSXHOPOFSF-UHFFFAOYSA-N 1 0 396.560 3.806 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC001468015007 1067565805 /nfs/dbraw/zinc/56/58/05/1067565805.db2.gz GEQUREKQABGBAC-JOCHJYFZSA-N 1 0 394.494 3.889 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001358893195 1067599769 /nfs/dbraw/zinc/59/97/69/1067599769.db2.gz PTGUFUUCFFFEMQ-SFHVURJKSA-N 1 0 397.542 3.730 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001358895309 1067601615 /nfs/dbraw/zinc/60/16/15/1067601615.db2.gz GZFFXTGTXBGMEM-UNMCSNQZSA-N 1 0 393.579 3.643 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358895670 1067602422 /nfs/dbraw/zinc/60/24/22/1067602422.db2.gz OHBFXMVYAXEHMY-MOPGFXCFSA-N 1 0 385.600 3.979 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@@H+](C)[C@H](C)CC ZINC001358897337 1067603489 /nfs/dbraw/zinc/60/34/89/1067603489.db2.gz XGWZXGRMOZQJCN-UXHICEINSA-N 1 0 397.567 3.662 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2F)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001358950530 1067627668 /nfs/dbraw/zinc/62/76/68/1067627668.db2.gz OHCWURWTBGLPSK-LJQANCHMSA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+](C)C1CCCC1 ZINC001358974774 1067632550 /nfs/dbraw/zinc/63/25/50/1067632550.db2.gz QQIKIVZFIPDCIO-UHFFFAOYSA-N 1 0 395.938 3.546 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1CC1CC[NH+](CCC)CC1 ZINC001358993775 1067639822 /nfs/dbraw/zinc/63/98/22/1067639822.db2.gz WWNCKUPNTARCOP-UHFFFAOYSA-N 1 0 381.568 3.521 20 30 GHEDRO C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+](CC)C(C)C ZINC001359007117 1067649459 /nfs/dbraw/zinc/64/94/59/1067649459.db2.gz VVIJEORUUFRULB-UHFFFAOYSA-N 1 0 378.524 3.616 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359010891 1067651170 /nfs/dbraw/zinc/65/11/70/1067651170.db2.gz CWLXHHOJEFAMJM-OAQYLSRUSA-N 1 0 381.568 3.613 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1CCC[N@H+](C)Cc1ccccc1 ZINC001359063641 1067667118 /nfs/dbraw/zinc/66/71/18/1067667118.db2.gz AALFTPGVOACLAS-HSZRJFAPSA-N 1 0 379.552 3.916 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)[NH+](C)C ZINC001359111223 1067690489 /nfs/dbraw/zinc/69/04/89/1067690489.db2.gz SIFYDYDCKGDCNC-KRWDZBQOSA-N 1 0 380.540 3.789 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001359183616 1067746467 /nfs/dbraw/zinc/74/64/67/1067746467.db2.gz PTEUVTZFZWMHBF-CEXWTWQISA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359186255 1067750253 /nfs/dbraw/zinc/75/02/53/1067750253.db2.gz ZQKMZVDKDHNVSG-MSOLQXFVSA-N 1 0 384.572 3.805 20 30 GHEDRO Oc1ccc(Br)cc1/C=N\CC1CC[NH+](Cc2ccncc2)CC1 ZINC000849171212 1067752215 /nfs/dbraw/zinc/75/22/15/1067752215.db2.gz ZWDLIOUWOIJXJH-XKZIYDEJSA-N 1 0 388.309 3.881 20 30 GHEDRO C=CCCCn1c(CC(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001359216980 1067793209 /nfs/dbraw/zinc/79/32/09/1067793209.db2.gz KDGHMFGHDLHYMM-UHFFFAOYSA-N 1 0 387.597 3.869 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001359233473 1067836273 /nfs/dbraw/zinc/83/62/73/1067836273.db2.gz GRMXRKFHRODIJD-IBGZPJMESA-N 1 0 381.524 3.593 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359233843 1067837087 /nfs/dbraw/zinc/83/70/87/1067837087.db2.gz SVBKCCNPWKKJOM-DLBZAZTESA-N 1 0 398.511 3.596 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)[NH+](CC)CC ZINC001359236036 1067840556 /nfs/dbraw/zinc/84/05/56/1067840556.db2.gz WXMKOYIBYMCJPA-QGZVFWFLSA-N 1 0 378.524 3.846 20 30 GHEDRO C=CCN(c1nnc(-c2cccnc2)n1CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC001359249994 1067898468 /nfs/dbraw/zinc/89/84/68/1067898468.db2.gz XWKLEZJCHRQVIJ-GOSISDBHSA-N 1 0 380.540 3.759 20 30 GHEDRO C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CC=CCC1)C1CC1 ZINC001359251986 1067904049 /nfs/dbraw/zinc/90/40/49/1067904049.db2.gz AMBFMWHFSRRXHX-UHFFFAOYSA-N 1 0 397.954 3.939 20 30 GHEDRO C=CCCC1(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCCC1 ZINC000849608935 1067919266 /nfs/dbraw/zinc/91/92/66/1067919266.db2.gz UJAJRCURWBKSIG-LEWJYISDSA-N 1 0 386.584 3.877 20 30 GHEDRO C=CCN(CC=C)c1nnc(C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359266727 1067929781 /nfs/dbraw/zinc/92/97/81/1067929781.db2.gz KNQWKVWJPTYQOQ-UHFFFAOYSA-N 1 0 375.586 3.517 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359269702 1067935330 /nfs/dbraw/zinc/93/53/30/1067935330.db2.gz MGLOVGXVAVTDPK-QGZVFWFLSA-N 1 0 381.499 3.747 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C1CC1)[NH+](C)C ZINC001359270331 1067936811 /nfs/dbraw/zinc/93/68/11/1067936811.db2.gz LEQJJCNQRDIZTF-OAQYLSRUSA-N 1 0 390.535 3.945 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CC[N@H+]1CCC[C@@H]1C ZINC001359276709 1067945884 /nfs/dbraw/zinc/94/58/84/1067945884.db2.gz NBVHRQNIVKVTJM-SFHVURJKSA-N 1 0 394.523 3.586 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359288925 1067982617 /nfs/dbraw/zinc/98/26/17/1067982617.db2.gz KBDXGNUEDIXZAY-HXUWFJFHSA-N 1 0 393.579 3.950 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359471843 1068068051 /nfs/dbraw/zinc/06/80/51/1068068051.db2.gz ALUYPSIZHLPZKC-SFHVURJKSA-N 1 0 380.540 3.664 20 30 GHEDRO Cc1ccc(CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC001469429810 1068160187 /nfs/dbraw/zinc/16/01/87/1068160187.db2.gz ADLBCOOEQNFCGB-UGKGYDQZSA-N 1 0 390.531 3.967 20 30 GHEDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(C)c1Cl ZINC001359854082 1068222956 /nfs/dbraw/zinc/22/29/56/1068222956.db2.gz UCKHYZCJBUKWFZ-UHFFFAOYSA-N 1 0 399.922 3.798 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC001478019141 1078674597 /nfs/dbraw/zinc/67/45/97/1078674597.db2.gz RKRYTYVCGPIILE-UHFFFAOYSA-N 1 0 399.441 3.654 20 30 GHEDRO C#CCN(C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001469819918 1068408201 /nfs/dbraw/zinc/40/82/01/1068408201.db2.gz XLKDXSKWPJWOLK-OAHLLOKOSA-N 1 0 381.442 3.548 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001469894862 1068454337 /nfs/dbraw/zinc/45/43/37/1068454337.db2.gz RIMZPAUZCIZCPQ-HSZRJFAPSA-N 1 0 375.516 3.742 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001469894863 1068454596 /nfs/dbraw/zinc/45/45/96/1068454596.db2.gz RIMZPAUZCIZCPQ-QHCPKHFHSA-N 1 0 375.516 3.742 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001360337220 1068457006 /nfs/dbraw/zinc/45/70/06/1068457006.db2.gz HWGXXUIDJKANFL-QFIPXVFZSA-N 1 0 376.500 3.678 20 30 GHEDRO C[C@@H](CCn1c(N2CCC(CC#N)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510105 1068537325 /nfs/dbraw/zinc/53/73/25/1068537325.db2.gz DRXLGIOXKMKZMW-SFHVURJKSA-N 1 0 386.588 3.970 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001360541778 1068550667 /nfs/dbraw/zinc/55/06/67/1068550667.db2.gz NXRCBMUPSAQEDT-VQIMIIECSA-N 1 0 380.540 3.639 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001478285338 1078797757 /nfs/dbraw/zinc/79/77/57/1078797757.db2.gz WOVOOIDBAASCOU-VPSDZCSPSA-N 1 0 379.548 3.778 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC001460409945 1068955868 /nfs/dbraw/zinc/95/58/68/1068955868.db2.gz QFRZURGVOKAXBY-UHFFFAOYSA-N 1 0 390.256 3.923 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@]2(CC)Cc2ccccc2)c1 ZINC001460414109 1068957270 /nfs/dbraw/zinc/95/72/70/1068957270.db2.gz ZIGMJKSRHZYTTD-XMMPIXPASA-N 1 0 389.499 3.803 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC001460505491 1068981283 /nfs/dbraw/zinc/98/12/83/1068981283.db2.gz RYHANMLMRWROKG-LJQANCHMSA-N 1 0 389.421 3.755 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)sc2c1CCC2 ZINC001460616346 1069032853 /nfs/dbraw/zinc/03/28/53/1069032853.db2.gz UXPAZOZUTICYSW-RXVVDRJESA-N 1 0 395.528 3.635 20 30 GHEDRO C#CC[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC001460757687 1069160189 /nfs/dbraw/zinc/16/01/89/1069160189.db2.gz JKUXUWJIBLLYNL-YJBOKZPZSA-N 1 0 375.310 3.598 20 30 GHEDRO C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C)C1CC[NH+](C)CC1 ZINC001478414251 1078857946 /nfs/dbraw/zinc/85/79/46/1078857946.db2.gz VPIKUQOVADAJGK-LJQANCHMSA-N 1 0 379.907 3.915 20 30 GHEDRO C=C[C@@H](C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC001470451181 1072560438 /nfs/dbraw/zinc/56/04/38/1072560438.db2.gz FFEFTFIRVQWZLO-DHIUTWEWSA-N 1 0 393.531 3.871 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CC1 ZINC001470522712 1072607259 /nfs/dbraw/zinc/60/72/59/1072607259.db2.gz NGPPKMDSWWPQBR-UHFFFAOYSA-N 1 0 386.515 3.739 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(Cl)cc1F ZINC001470664879 1072675796 /nfs/dbraw/zinc/67/57/96/1072675796.db2.gz ANXVZMPBDLLZNK-RBUKOAKNSA-N 1 0 388.874 3.541 20 30 GHEDRO C[C@H]1CC(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)C1 ZINC001470750695 1072720621 /nfs/dbraw/zinc/72/06/21/1072720621.db2.gz LKFHBKRVKFBEGG-RTBURBONSA-N 1 0 382.552 3.848 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1SCC#N ZINC001470780733 1072736738 /nfs/dbraw/zinc/73/67/38/1072736738.db2.gz NGLAXNIGQSLWCO-PXNSSMCTSA-N 1 0 379.529 3.943 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001478734621 1078970156 /nfs/dbraw/zinc/97/01/56/1078970156.db2.gz CTBPHAZDHMVHEU-GOSISDBHSA-N 1 0 395.469 3.938 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC001478880361 1079011694 /nfs/dbraw/zinc/01/16/94/1079011694.db2.gz KVDZRWZCBNRJOA-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001471317491 1073015773 /nfs/dbraw/zinc/01/57/73/1073015773.db2.gz ZSFLACQZAFIKSC-IBGZPJMESA-N 1 0 380.488 3.573 20 30 GHEDRO C=CCc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc(OC)c1OC ZINC001472327710 1073425539 /nfs/dbraw/zinc/42/55/39/1073425539.db2.gz ISRLTCKAIMLTFU-PMACEKPBSA-N 1 0 386.536 3.767 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001479209620 1079154472 /nfs/dbraw/zinc/15/44/72/1079154472.db2.gz QIHXZUFQPOLGNJ-ADHNFCLRSA-N 1 0 379.548 3.875 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C ZINC001473134981 1073798449 /nfs/dbraw/zinc/79/84/49/1073798449.db2.gz LPEINBRITGMNEH-NLWGTHIKSA-N 1 0 399.535 3.804 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001473255491 1073891759 /nfs/dbraw/zinc/89/17/59/1073891759.db2.gz IIVOTILAHFOHOC-UHFFFAOYSA-N 1 0 379.479 3.843 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCSC[C@@H](C)C3)sc2C1 ZINC001473446818 1073966676 /nfs/dbraw/zinc/96/66/76/1073966676.db2.gz UOCGTVYDFNEHHU-KGLIPLIRSA-N 1 0 377.579 3.758 20 30 GHEDRO C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001473620395 1074052322 /nfs/dbraw/zinc/05/23/22/1074052322.db2.gz HOYCTGODRRJIEE-QHCPKHFHSA-N 1 0 385.467 3.976 20 30 GHEDRO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473672734 1074078420 /nfs/dbraw/zinc/07/84/20/1074078420.db2.gz QGOSMHHDXXRKQK-FQEVSTJZSA-N 1 0 391.899 3.736 20 30 GHEDRO Cc1ccc([C@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2(C)C)cc1 ZINC001473751650 1074123110 /nfs/dbraw/zinc/12/31/10/1074123110.db2.gz QHYUJSNSWRVCLN-OAQYLSRUSA-N 1 0 382.529 3.909 20 30 GHEDRO COc1cc2c(cc1OC)C(C)(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC001473759109 1074127790 /nfs/dbraw/zinc/12/77/90/1074127790.db2.gz XNVFHFMQMBSCDP-UHFFFAOYSA-N 1 0 393.487 3.697 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001473820450 1074160159 /nfs/dbraw/zinc/16/01/59/1074160159.db2.gz ALWUYTLTIVDPIM-HKUYNNGSSA-N 1 0 376.566 3.790 20 30 GHEDRO Cc1c(Cl)cccc1N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001473870641 1074183929 /nfs/dbraw/zinc/18/39/29/1074183929.db2.gz PHLUGEKNDGYUDY-UHFFFAOYSA-N 1 0 382.895 3.671 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc(OC)c1O ZINC001474009023 1074234735 /nfs/dbraw/zinc/23/47/35/1074234735.db2.gz VWOVEYNAQZQLJS-OAHLLOKOSA-N 1 0 378.513 3.722 20 30 GHEDRO COc1cc(C[NH2+]Cc2c[nH]c(C(=O)OCc3ccccc3)c2)ccc1C#N ZINC001474138116 1074273608 /nfs/dbraw/zinc/27/36/08/1074273608.db2.gz RQTVOYNJPUJHIE-UHFFFAOYSA-N 1 0 375.428 3.542 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCN(CCC)C2)cc1OCC ZINC001474220427 1074297751 /nfs/dbraw/zinc/29/77/51/1074297751.db2.gz GKRYQEQRPRQNTI-INIZCTEOSA-N 1 0 397.357 3.987 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001474290353 1074327047 /nfs/dbraw/zinc/32/70/47/1074327047.db2.gz XNANCWCJLVYZIU-OLMNPRSZSA-N 1 0 390.911 3.982 20 30 GHEDRO N#Cc1ccncc1N1CCN(Cc2cccc(COc3ccccc3)c2)CC1 ZINC001474552730 1074460268 /nfs/dbraw/zinc/46/02/68/1074460268.db2.gz AOEKZAIVTCMHFA-UHFFFAOYSA-N 1 0 384.483 3.854 20 30 GHEDRO C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H](O)c1cccc(C#N)c1 ZINC001474616192 1074485988 /nfs/dbraw/zinc/48/59/88/1074485988.db2.gz JWNAOUMOSGRSQE-MRXNPFEDSA-N 1 0 395.684 3.845 20 30 GHEDRO C[C@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC2)([NH+](C)C)C1 ZINC001493511885 1079275529 /nfs/dbraw/zinc/27/55/29/1079275529.db2.gz UNGKABSLJPTYOZ-MBSDFSHPSA-N 1 0 392.551 3.927 20 30 GHEDRO C#C[C@H]([NH2+][C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)C1CCOCC1 ZINC001474636085 1074493403 /nfs/dbraw/zinc/49/34/03/1074493403.db2.gz HEFRTHKQUBHVJW-HOJAQTOUSA-N 1 0 378.557 3.963 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C)C1 ZINC001493740637 1079290827 /nfs/dbraw/zinc/29/08/27/1079290827.db2.gz PPXBTTUTBZBLPF-GOSISDBHSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001493786648 1079297147 /nfs/dbraw/zinc/29/71/47/1079297147.db2.gz YBUGTBPTWZYPET-OALUTQOASA-N 1 0 395.555 3.591 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCn2c(N(C)Cc3cccc(C#N)c3)nnc2C(C)(C)C)C1 ZINC001493808341 1079299336 /nfs/dbraw/zinc/29/93/36/1079299336.db2.gz JHKUFHZMTIJVSU-GOSISDBHSA-N 1 0 394.567 3.816 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001476201711 1075102854 /nfs/dbraw/zinc/10/28/54/1075102854.db2.gz USHQWFCEHLBMBS-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001495091220 1079382671 /nfs/dbraw/zinc/38/26/71/1079382671.db2.gz ZOSIKTNGYHMYQQ-CEXWTWQISA-N 1 0 394.567 3.834 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001495451228 1079409242 /nfs/dbraw/zinc/40/92/42/1079409242.db2.gz AFEIPMFKXQHREK-WFXMLNOXSA-N 1 0 390.551 3.602 20 30 GHEDRO CC[C@@H](c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001496420529 1079469260 /nfs/dbraw/zinc/46/92/60/1079469260.db2.gz DZPQKVXJQVLJPD-XQFWAAQXSA-N 1 0 394.567 3.900 20 30 GHEDRO CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001500377130 1079595950 /nfs/dbraw/zinc/59/59/50/1079595950.db2.gz BYSLVYFNQIYGFL-HXUWFJFHSA-N 1 0 380.540 3.927 20 30 GHEDRO Cc1noc(C2CCC([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)CC2)n1 ZINC000359901031 209201821 /nfs/dbraw/zinc/20/18/21/209201821.db2.gz QEFUVMSTRYRQRT-UHFFFAOYSA-N 1 0 379.508 3.530 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C(=O)[O-])cc1 ZINC000739108864 600597155 /nfs/dbraw/zinc/59/71/55/600597155.db2.gz XLZOIVNYOQZSHT-JOCHJYFZSA-N 1 0 377.488 3.850 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164623780 719046235 /nfs/dbraw/zinc/04/62/35/719046235.db2.gz MZUWOUHIAVTSAE-MJGOQNOKSA-N 1 0 388.849 3.735 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C#N ZINC001164729941 720351323 /nfs/dbraw/zinc/35/13/23/720351323.db2.gz YXNKBPRXMXVRKY-JKSUJKDBSA-N 1 0 388.302 3.817 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834603 720514863 /nfs/dbraw/zinc/51/48/63/720514863.db2.gz GRUYXYUJXHQLPK-JAXLGGSGSA-N 1 0 392.551 3.651 20 30 GHEDRO Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ccc1CC#N ZINC001164795026 721501335 /nfs/dbraw/zinc/50/13/35/721501335.db2.gz ATCUNWUVLLHFKB-UHFFFAOYSA-N 1 0 375.520 3.732 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(cc3C#N)CCC4)C[C@@H]21 ZINC001165022231 721823901 /nfs/dbraw/zinc/82/39/01/721823901.db2.gz GTSYYEYZFJPNBY-AVCGJXAMSA-N 1 0 387.531 3.574 20 30 GHEDRO CCOc1ccc(O)c(/C=N\[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000255072289 837557165 /nfs/dbraw/zinc/55/71/65/837557165.db2.gz DNZUQCFJBJSSMJ-QRAWFLTRSA-N 1 0 384.476 3.502 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814375 837575487 /nfs/dbraw/zinc/57/54/87/837575487.db2.gz XVHNDMAPPBDCDJ-YJBOKZPZSA-N 1 0 382.460 3.998 20 30 GHEDRO Cc1ccc([C@@H](CNc2c(C#N)cnc3c(F)ccc(F)c32)[NH+]2CCCC2)o1 ZINC000610278040 837600544 /nfs/dbraw/zinc/60/05/44/837600544.db2.gz GEHWRGUYJWXNPZ-QGZVFWFLSA-N 1 0 382.414 3.957 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000608861133 837610338 /nfs/dbraw/zinc/61/03/38/837610338.db2.gz VUEWGODXAYAUCW-HSZRJFAPSA-N 1 0 391.515 3.692 20 30 GHEDRO CSCc1cnc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000578674296 837668167 /nfs/dbraw/zinc/66/81/67/837668167.db2.gz GTQZZVXFPLJEQY-AWEZNQCLSA-N 1 0 376.526 3.775 20 30 GHEDRO CN(C(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000579940664 837777001 /nfs/dbraw/zinc/77/70/01/837777001.db2.gz HDOWHPBEERJHCA-QFIPXVFZSA-N 1 0 391.490 3.852 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000329220819 834576076 /nfs/dbraw/zinc/57/60/76/834576076.db2.gz BPIKDWNFUXXYMR-ZUIJCZDSSA-N 1 0 378.517 3.657 20 30 GHEDRO CC(C)[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)[NH+]1CCC(C)CC1 ZINC000278769792 834598296 /nfs/dbraw/zinc/59/82/96/834598296.db2.gz YCOFPJUQJPGNDN-JOCHJYFZSA-N 1 0 394.567 3.705 20 30 GHEDRO N#Cc1cnn2cc(C[NH+]3CCC(c4ccc(Br)cc4)CC3)cnc12 ZINC000583631157 834784423 /nfs/dbraw/zinc/78/44/23/834784423.db2.gz LEQBNOBPIIAUTG-UHFFFAOYSA-N 1 0 396.292 3.743 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1OCCCC#N ZINC000278362979 834820312 /nfs/dbraw/zinc/82/03/12/834820312.db2.gz JTMJYIVTZAPZCS-YJBOKZPZSA-N 1 0 386.414 3.513 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1OC ZINC000246204466 834820720 /nfs/dbraw/zinc/82/07/20/834820720.db2.gz MAVRUVUPFGNGPR-GDBMZVCRSA-N 1 0 384.314 3.615 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccsc1 ZINC000052517601 834874049 /nfs/dbraw/zinc/87/40/49/834874049.db2.gz PSYHDXFOBIYNRW-GOSISDBHSA-N 1 0 395.484 3.824 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000179115669 834896675 /nfs/dbraw/zinc/89/66/75/834896675.db2.gz VSEKAIGZIFCITO-QHCPKHFHSA-N 1 0 390.508 3.906 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000176896360 835020346 /nfs/dbraw/zinc/02/03/46/835020346.db2.gz YXXHKQUYIIPHEW-UHFFFAOYSA-N 1 0 383.517 3.981 20 30 GHEDRO Cc1oc(NC(=O)CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c(C#N)c1C ZINC000611938099 835084255 /nfs/dbraw/zinc/08/42/55/835084255.db2.gz IJCJKYKTTKKTGW-HXUWFJFHSA-N 1 0 380.492 3.523 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000329469433 835091515 /nfs/dbraw/zinc/09/15/15/835091515.db2.gz YAYLWEWNCFLFQY-GUDVDZBRSA-N 1 0 395.507 3.804 20 30 GHEDRO COc1ccc(CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccccc2)cc1 ZINC000126862736 835096885 /nfs/dbraw/zinc/09/68/85/835096885.db2.gz CHEPBIOXVJBTPG-DEOSSOPVSA-N 1 0 391.515 3.548 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000579821402 835124171 /nfs/dbraw/zinc/12/41/71/835124171.db2.gz UFLJWVGPYHJWIX-VQTJNVASSA-N 1 0 397.567 3.826 20 30 GHEDRO C[C@H](Sc1ccc(C#N)cc1F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610219119 835204175 /nfs/dbraw/zinc/20/41/75/835204175.db2.gz YWWVSOMYPRZZST-MAUKXSAKSA-N 1 0 383.492 3.569 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000048094275 835241127 /nfs/dbraw/zinc/24/11/27/835241127.db2.gz ZQOBVEHOWMYNQL-NRFANRHFSA-N 1 0 379.529 3.745 20 30 GHEDRO COc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000472348130 835298263 /nfs/dbraw/zinc/29/82/63/835298263.db2.gz ZDQPSCKKVJUPMZ-KRWDZBQOSA-N 1 0 377.488 3.656 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157651602 835304437 /nfs/dbraw/zinc/30/44/37/835304437.db2.gz LLMHWGVWAGUJLC-SFHVURJKSA-N 1 0 379.435 3.621 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000127011803 835315094 /nfs/dbraw/zinc/31/50/94/835315094.db2.gz LYEZJHGMVSJEMI-OAQYLSRUSA-N 1 0 389.499 3.695 20 30 GHEDRO CC(C)(COCc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000500821562 844041325 /nfs/dbraw/zinc/04/13/25/844041325.db2.gz GHLIVLKXWIEFLH-NRFANRHFSA-N 1 0 377.488 3.639 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)C[C@H](C)O1 ZINC000157663023 835332040 /nfs/dbraw/zinc/33/20/40/835332040.db2.gz QBFNXLJEYJWPIN-IYBDPMFKSA-N 1 0 380.448 3.688 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)NC(C)(C)CC)cc1 ZINC000274802545 835399282 /nfs/dbraw/zinc/39/92/82/835399282.db2.gz SWZLKNRMVMCPOM-UHFFFAOYSA-O 1 0 399.536 3.982 20 30 GHEDRO C[NH+]=C(NCCc1c(C)noc1C)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261687915 844058036 /nfs/dbraw/zinc/05/80/36/844058036.db2.gz HHGDIOKYVIQJKP-HSZRJFAPSA-N 1 0 380.536 3.779 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000133887256 835655077 /nfs/dbraw/zinc/65/50/77/835655077.db2.gz UTLKTSYGIYKBBM-LJQANCHMSA-N 1 0 388.309 3.622 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278641985 835677067 /nfs/dbraw/zinc/67/70/67/835677067.db2.gz DJOANWVMTWKYRI-INIZCTEOSA-N 1 0 393.491 3.922 20 30 GHEDRO COc1cccc(/C(C)=C\C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000255737446 835694862 /nfs/dbraw/zinc/69/48/62/835694862.db2.gz NUAGTNOFFMEUQQ-JXAWBTAJSA-N 1 0 377.488 3.561 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cc(Br)cs1 ZINC000052847954 835711522 /nfs/dbraw/zinc/71/15/22/835711522.db2.gz FXOBLIOQZDACFH-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000177064270 835732058 /nfs/dbraw/zinc/73/20/58/835732058.db2.gz RGFQFGZDMOCGIT-PKOBYXMFSA-N 1 0 387.524 3.952 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000245955357 835737024 /nfs/dbraw/zinc/73/70/24/835737024.db2.gz CPSPCUJFIFNCTD-JTHBVZDNSA-N 1 0 388.515 3.851 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000584194548 835746003 /nfs/dbraw/zinc/74/60/03/835746003.db2.gz NNMMPDBJXZAECE-FQEVSTJZSA-N 1 0 399.585 3.932 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278670730 835754207 /nfs/dbraw/zinc/75/42/07/835754207.db2.gz OBDKXZWRMFIWMI-NRFANRHFSA-N 1 0 386.503 3.617 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)n2c3ccc(F)cc3c3c2CC[NH2+]C3)c1 ZINC001167087181 835765185 /nfs/dbraw/zinc/76/51/85/835765185.db2.gz MFGRPKFPFXDHLJ-UHFFFAOYSA-N 1 0 376.769 3.944 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000188097330 835821132 /nfs/dbraw/zinc/82/11/32/835821132.db2.gz CDFVZSRDHNWDOF-HXUWFJFHSA-N 1 0 377.488 3.684 20 30 GHEDRO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)sc2c1CCCCC2 ZINC000584289650 835846788 /nfs/dbraw/zinc/84/67/88/835846788.db2.gz ZJJZYIGXTRVIBS-QAPCUYQASA-N 1 0 387.549 3.718 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000102751314 835866062 /nfs/dbraw/zinc/86/60/62/835866062.db2.gz BIPNPEZUWAJRQH-SJORKVTESA-N 1 0 381.476 3.580 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2n[nH]cc2c1 ZINC000584337548 835894082 /nfs/dbraw/zinc/89/40/82/835894082.db2.gz KZYFVENSNVVTJA-LBPRGKRZSA-N 1 0 379.489 3.664 20 30 GHEDRO CC(C)(CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[NH+]1CCCCC1 ZINC000102783101 835946581 /nfs/dbraw/zinc/94/65/81/835946581.db2.gz WCLZCHHMRVVAGA-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000573214645 835962519 /nfs/dbraw/zinc/96/25/19/835962519.db2.gz MGFBJRHFDVFRFV-PZJWPPBQSA-N 1 0 382.895 3.575 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364415182 835989111 /nfs/dbraw/zinc/98/91/11/835989111.db2.gz LCBFDKLQHYMPBJ-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000430297687 836092044 /nfs/dbraw/zinc/09/20/44/836092044.db2.gz FYRRUVQLKXGSKI-IBGZPJMESA-N 1 0 393.535 3.562 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187196264 836103987 /nfs/dbraw/zinc/10/39/87/836103987.db2.gz WOCMGOIOFOBVHX-UZUQRXQVSA-N 1 0 395.503 3.533 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000134882649 836159866 /nfs/dbraw/zinc/15/98/66/836159866.db2.gz CLPLMSGFHRJJDA-DENIHFKCSA-N 1 0 391.515 3.887 20 30 GHEDRO COc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000612402084 836178109 /nfs/dbraw/zinc/17/81/09/836178109.db2.gz FSUJYOQNIVJWIU-HSZRJFAPSA-N 1 0 375.516 3.678 20 30 GHEDRO COc1cccc(C=C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000610764369 844146522 /nfs/dbraw/zinc/14/65/22/844146522.db2.gz GARRSFOXQXVUHX-JOCHJYFZSA-N 1 0 392.499 3.680 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000892499278 836287841 /nfs/dbraw/zinc/28/78/41/836287841.db2.gz QFXARGTXCYEJRZ-UHFFFAOYSA-N 1 0 388.562 3.735 20 30 GHEDRO CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180139441 836326958 /nfs/dbraw/zinc/32/69/58/836326958.db2.gz PKWCQERINILBME-QFIPXVFZSA-N 1 0 399.542 3.913 20 30 GHEDRO COc1cccc([C@@H](CNc2c(C#N)cnc3c(F)ccc(F)c32)[NH+](C)C)c1 ZINC000610246721 836356820 /nfs/dbraw/zinc/35/68/20/836356820.db2.gz SOHUOUZASPZMBA-GOSISDBHSA-N 1 0 382.414 3.530 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)ccc1Cl ZINC000612540294 836379053 /nfs/dbraw/zinc/37/90/53/836379053.db2.gz KASZENTXWOPWIH-KRWDZBQOSA-N 1 0 389.927 3.786 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000582541674 836382407 /nfs/dbraw/zinc/38/24/07/836382407.db2.gz FYKNKJIJDVLQCK-UHFFFAOYSA-N 1 0 394.899 3.692 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000413842118 836491038 /nfs/dbraw/zinc/49/10/38/836491038.db2.gz XWOKIBJLJQTERV-ZRBLBEILSA-N 1 0 392.547 3.903 20 30 GHEDRO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000570294121 836656041 /nfs/dbraw/zinc/65/60/41/836656041.db2.gz YVOXMRSYPGHUCM-QHCPKHFHSA-N 1 0 396.579 3.734 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCCC1 ZINC000612749155 836698242 /nfs/dbraw/zinc/69/82/42/836698242.db2.gz YTNSCJYOIKEKIV-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO CCOc1cccc(/C=N\[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1O ZINC000255897403 836743864 /nfs/dbraw/zinc/74/38/64/836743864.db2.gz AOAFCSBDXZDPRL-VLZFXTDASA-N 1 0 384.476 3.502 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180027306 836753552 /nfs/dbraw/zinc/75/35/52/836753552.db2.gz HEZGPOXJHFJOQM-HXUWFJFHSA-N 1 0 391.544 3.947 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c(F)c1 ZINC000413916129 836771232 /nfs/dbraw/zinc/77/12/32/836771232.db2.gz ORXAEDREEVPIGM-UHFFFAOYSA-N 1 0 387.430 3.693 20 30 GHEDRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472567760 836789960 /nfs/dbraw/zinc/78/99/60/836789960.db2.gz SRWNCMOGHVXCPJ-OAQYLSRUSA-N 1 0 394.540 3.867 20 30 GHEDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000177591482 836844129 /nfs/dbraw/zinc/84/41/29/836844129.db2.gz DHJFBTMYXBEMFN-UHFFFAOYSA-N 1 0 397.523 3.857 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(CNc3ccc(C#N)cc3)n2)cc1 ZINC000612882772 836922734 /nfs/dbraw/zinc/92/27/34/836922734.db2.gz NCVGNTMREXPSEG-UHFFFAOYSA-N 1 0 391.475 3.941 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000175717846 836958792 /nfs/dbraw/zinc/95/87/92/836958792.db2.gz POQOTIZKWRDPER-UHFFFAOYSA-N 1 0 380.492 3.965 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 ZINC000027325463 837043405 /nfs/dbraw/zinc/04/34/05/837043405.db2.gz IDPATPKBGIJJBX-UHFFFAOYSA-O 1 0 392.495 3.647 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000027325088 837043555 /nfs/dbraw/zinc/04/35/55/837043555.db2.gz MCHNTXHUIWHUAO-UHFFFAOYSA-O 1 0 392.495 3.647 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(CO)c2)c1 ZINC000027329807 837044065 /nfs/dbraw/zinc/04/40/65/837044065.db2.gz KSXDTENXQOXLLV-UHFFFAOYSA-O 1 0 397.564 3.944 20 30 GHEDRO CN(C)C(=O)COc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000180333884 837143315 /nfs/dbraw/zinc/14/33/15/837143315.db2.gz QAHPDGRDTRGYTI-UHFFFAOYSA-N 1 0 399.494 3.982 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000176095511 837161949 /nfs/dbraw/zinc/16/19/49/837161949.db2.gz RXEFYQVWLHPTKE-UHFFFAOYSA-N 1 0 385.458 3.750 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180350655 837169015 /nfs/dbraw/zinc/16/90/15/837169015.db2.gz AHHBRYHGAPYTIO-LJQANCHMSA-N 1 0 384.842 3.574 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[N@@H+](C2CC2)C1 ZINC000580284066 837326370 /nfs/dbraw/zinc/32/63/70/837326370.db2.gz UZQDXHVUIVNYAS-KRWDZBQOSA-N 1 0 375.472 3.907 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3sccc3Br)CC2)nc1 ZINC000613171089 837346468 /nfs/dbraw/zinc/34/64/68/837346468.db2.gz XDFUYDHMHOMILP-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)sc2c1CCC2 ZINC000177198186 837883335 /nfs/dbraw/zinc/88/33/35/837883335.db2.gz PVEQKMOQAAWMPI-RDJZCZTQSA-N 1 0 375.563 3.797 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000728711547 837906707 /nfs/dbraw/zinc/90/67/07/837906707.db2.gz DYHAMQWEYXAOFK-FZKQIMNGSA-N 1 0 380.366 3.699 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(C#N)c1C ZINC000181379476 838047523 /nfs/dbraw/zinc/04/75/23/838047523.db2.gz LOAXKEGLMFHXSS-AWEZNQCLSA-N 1 0 396.516 3.653 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]3(CCOC3)C2)sc2c1CCCCC2 ZINC000576347522 844287552 /nfs/dbraw/zinc/28/75/52/844287552.db2.gz KZESTTLKEJXRML-OAQYLSRUSA-N 1 0 387.549 3.720 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000549796168 844292802 /nfs/dbraw/zinc/29/28/02/844292802.db2.gz YKEPWMDKCWLRKE-IRXDYDNUSA-N 1 0 376.504 3.670 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000415798590 838114278 /nfs/dbraw/zinc/11/42/78/838114278.db2.gz BCGGWVZPXSGKRH-DOMZBBRYSA-N 1 0 382.302 3.605 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415804296 838129651 /nfs/dbraw/zinc/12/96/51/838129651.db2.gz LINNFAFUXATCET-CHWSQXEVSA-N 1 0 382.302 3.605 20 30 GHEDRO Cc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000025252027 844302128 /nfs/dbraw/zinc/30/21/28/844302128.db2.gz ULNFIMFRIXOEFK-IRXDYDNUSA-N 1 0 377.492 3.579 20 30 GHEDRO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000175829081 838281962 /nfs/dbraw/zinc/28/19/62/838281962.db2.gz MKKWMWUOQLESNH-OBGWFSINSA-N 1 0 377.463 3.835 20 30 GHEDRO N#Cc1cccc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000129061442 844315368 /nfs/dbraw/zinc/31/53/68/844315368.db2.gz NFWRPCQJKFWFPS-UHFFFAOYSA-N 1 0 397.526 3.930 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2C)[NH+]2CCCC2)cc1 ZINC000178576502 838408465 /nfs/dbraw/zinc/40/84/65/838408465.db2.gz OHKXYKMTHCADEC-OAQYLSRUSA-N 1 0 378.476 3.834 20 30 GHEDRO Cc1ccccc1CN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000178823812 838466314 /nfs/dbraw/zinc/46/63/14/838466314.db2.gz RNMQIHXKMAMRNY-QFIPXVFZSA-N 1 0 376.504 3.867 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000048149387 844342100 /nfs/dbraw/zinc/34/21/00/844342100.db2.gz ZDYTURVAIDMBMV-LJQANCHMSA-N 1 0 396.491 3.544 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1ccccc1 ZINC000416135327 838603398 /nfs/dbraw/zinc/60/33/98/838603398.db2.gz KMVGJONFDUNUCM-QZTJIDSGSA-N 1 0 386.293 3.823 20 30 GHEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000610356454 838655493 /nfs/dbraw/zinc/65/54/93/838655493.db2.gz SQJDDJKIZRVYIS-LJQANCHMSA-N 1 0 376.504 3.845 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000215876205 838662316 /nfs/dbraw/zinc/66/23/16/838662316.db2.gz KVEXMWQIOMZGKY-WMLDXEAASA-N 1 0 377.431 3.792 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2)CC1 ZINC000548047219 838698447 /nfs/dbraw/zinc/69/84/47/838698447.db2.gz QRCGUCYCQRLNPM-UHFFFAOYSA-N 1 0 388.515 3.759 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000610367425 838718297 /nfs/dbraw/zinc/71/82/97/838718297.db2.gz DPHFVDPXMNUFAB-UHFFFAOYSA-N 1 0 387.487 3.625 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2nc3c(cc2C#N)CCCC3)[C@H](C(F)(F)F)C1 ZINC000580045534 838736278 /nfs/dbraw/zinc/73/62/78/838736278.db2.gz LWMJNFCFLANNMF-HUUCEWRRSA-N 1 0 394.441 3.679 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)NCC#Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000511519041 838950387 /nfs/dbraw/zinc/95/03/87/838950387.db2.gz BHYQAYOCKXTLBZ-GCJKJVERSA-N 1 0 379.479 3.530 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CNC(=O)C3)c2)c1 ZINC000378366740 838953137 /nfs/dbraw/zinc/95/31/37/838953137.db2.gz BOTIOOCJNJSIKC-JTHBVZDNSA-N 1 0 389.499 3.628 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000048159617 844385805 /nfs/dbraw/zinc/38/58/05/844385805.db2.gz ZYZKSVDDKSJWSD-UHFFFAOYSA-N 1 0 394.519 3.766 20 30 GHEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000414935747 838993592 /nfs/dbraw/zinc/99/35/92/838993592.db2.gz CHJRICOFNYGSND-HXUWFJFHSA-N 1 0 393.491 3.648 20 30 GHEDRO CON=Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000255418057 844396781 /nfs/dbraw/zinc/39/67/81/844396781.db2.gz ZTZOKXMHYVLKEB-GCJKJVERSA-N 1 0 379.504 3.792 20 30 GHEDRO CO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)[C@H](C[NH3+])C1 ZINC000415026405 839078105 /nfs/dbraw/zinc/07/81/05/839078105.db2.gz UGEGQZFOXWSBLE-HKUYNNGSSA-N 1 0 394.475 3.629 20 30 GHEDRO N#CCCOCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000549824203 844402407 /nfs/dbraw/zinc/40/24/07/844402407.db2.gz JHRQMLXMUWQNJJ-UHFFFAOYSA-N 1 0 382.439 3.758 20 30 GHEDRO Cn1cc(-c2ccccc2C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000378448207 839140711 /nfs/dbraw/zinc/14/07/11/839140711.db2.gz CCZMXSYSKSOOAN-UHFFFAOYSA-N 1 0 385.515 3.713 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000415075339 839163544 /nfs/dbraw/zinc/16/35/44/839163544.db2.gz BLAFFDUYIHRPTO-HNNXBMFYSA-N 1 0 382.464 3.998 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000415086902 839186889 /nfs/dbraw/zinc/18/68/89/839186889.db2.gz SDMJMFYGLJPTGR-GOEBONIOSA-N 1 0 380.448 3.560 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378483902 839206147 /nfs/dbraw/zinc/20/61/47/839206147.db2.gz RPHHKQSILCJGAS-UYAOXDASSA-N 1 0 395.453 3.743 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)ccc1OC ZINC000363844801 839212009 /nfs/dbraw/zinc/21/20/09/839212009.db2.gz JGEHEMZXRCUZIG-LJQANCHMSA-N 1 0 375.509 3.668 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415129725 839256858 /nfs/dbraw/zinc/25/68/58/839256858.db2.gz VLITUODTMOIPFR-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCCC[NH3+])CC3)cc2)c1 ZINC000415154535 839287132 /nfs/dbraw/zinc/28/71/32/839287132.db2.gz DUBNUACOBHUCIO-UHFFFAOYSA-N 1 0 394.475 3.712 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000728753284 839408166 /nfs/dbraw/zinc/40/81/66/839408166.db2.gz XRULCWIHVXHSFJ-UHFFFAOYSA-N 1 0 397.494 3.501 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)cc(Br)c2OCC)CC1 ZINC000122383276 839483203 /nfs/dbraw/zinc/48/32/03/839483203.db2.gz CHUUBSKTMJDSLQ-UHFFFAOYSA-N 1 0 399.716 3.785 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000580485159 839659569 /nfs/dbraw/zinc/65/95/69/839659569.db2.gz RJJLFXOXABHALP-SJORKVTESA-N 1 0 376.508 3.598 20 30 GHEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000472811857 839814907 /nfs/dbraw/zinc/81/49/07/839814907.db2.gz OZCIIEULYNMFLH-IBGZPJMESA-N 1 0 379.508 3.973 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000377634345 839853735 /nfs/dbraw/zinc/85/37/35/839853735.db2.gz ZMXIHZXHSCYVAY-LJQANCHMSA-N 1 0 381.501 3.632 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000610452176 839975060 /nfs/dbraw/zinc/97/50/60/839975060.db2.gz TZBGWFKBYBQWDS-QGZVFWFLSA-N 1 0 396.922 3.747 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458837521 844496496 /nfs/dbraw/zinc/49/64/96/844496496.db2.gz LHWNIALPVASZTQ-QFIPXVFZSA-N 1 0 376.504 3.947 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(Cl)s3)CC2)cc1 ZINC000046996562 840112805 /nfs/dbraw/zinc/11/28/05/840112805.db2.gz SJCRRJRQBKVRJV-UHFFFAOYSA-N 1 0 388.924 3.691 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000580748079 840123566 /nfs/dbraw/zinc/12/35/66/840123566.db2.gz PEXOHXXLBOSCMP-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000555548212 861191980 /nfs/dbraw/zinc/19/19/80/861191980.db2.gz NPHPNWVWLCVNBV-VXKWHMMOSA-N 1 0 389.499 3.680 20 30 GHEDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC(=O)N1Cc1ccccc1 ZINC000566710346 840283233 /nfs/dbraw/zinc/28/32/33/840283233.db2.gz WCJGMSHCXOQIEP-AUUYWEPGSA-N 1 0 387.405 3.856 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000025664358 840342730 /nfs/dbraw/zinc/34/27/30/840342730.db2.gz QJHNKEODUGDHMO-QZTJIDSGSA-N 1 0 393.512 3.787 20 30 GHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508799816 844547997 /nfs/dbraw/zinc/54/79/97/844547997.db2.gz BUEAXNZGNYTAAK-SFHVURJKSA-N 1 0 377.492 3.942 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)ccc1C#N ZINC000581004591 840583630 /nfs/dbraw/zinc/58/36/30/840583630.db2.gz OANKIMHOUZUKSR-MRXNPFEDSA-N 1 0 376.460 3.730 20 30 GHEDRO COc1ccc2nc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c(C)nc2c1 ZINC000549466939 840636777 /nfs/dbraw/zinc/63/67/77/840636777.db2.gz LWBJYXNHYDLUQK-UHFFFAOYSA-N 1 0 387.487 3.531 20 30 GHEDRO C[NH+]=C(NCc1cc(Br)cs1)N1CCC(OC(C)(C)C)CC1 ZINC000261863267 840873167 /nfs/dbraw/zinc/87/31/67/840873167.db2.gz ZPALKTIOYZXLQX-UHFFFAOYSA-N 1 0 388.375 3.866 20 30 GHEDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000194875111 840886942 /nfs/dbraw/zinc/88/69/42/840886942.db2.gz HBWNLLAVOYHHNP-HSZRJFAPSA-N 1 0 395.503 3.649 20 30 GHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000581246198 840937006 /nfs/dbraw/zinc/93/70/06/840937006.db2.gz LKNZAIDRDUJILR-KDOFPFPSSA-N 1 0 378.394 3.538 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C\c3ccnc4ccccc34)CC2)cc1 ZINC000255283529 840943563 /nfs/dbraw/zinc/94/35/63/840943563.db2.gz KBTGLFBSMOIQRR-KHPPLWFESA-N 1 0 396.494 3.854 20 30 GHEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000124441917 840976334 /nfs/dbraw/zinc/97/63/34/840976334.db2.gz FBBIQJYSYHHQHG-HXUWFJFHSA-N 1 0 376.460 3.623 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC)Cc2ccc(Br)cc2)CC1 ZINC000660704063 841113604 /nfs/dbraw/zinc/11/36/04/841113604.db2.gz JCDRSPKJISMFCU-QGZVFWFLSA-N 1 0 394.357 3.720 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC12CCCC2 ZINC000584879062 841156886 /nfs/dbraw/zinc/15/68/86/841156886.db2.gz ADSSCKASYONEGR-HSZRJFAPSA-N 1 0 394.519 3.914 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000925621191 841197470 /nfs/dbraw/zinc/19/74/70/841197470.db2.gz FZKNPBUPCGTFPK-DLBZAZTESA-N 1 0 379.545 3.853 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000473511319 844619241 /nfs/dbraw/zinc/61/92/41/844619241.db2.gz WMMIFXGNKKAFSB-UHFFFAOYSA-N 1 0 375.432 3.583 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510424357 841360330 /nfs/dbraw/zinc/36/03/30/841360330.db2.gz KFXSASFKJGKCTG-IEBWSBKVSA-N 1 0 394.544 3.948 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1OC ZINC000623552808 861196393 /nfs/dbraw/zinc/19/63/93/861196393.db2.gz XCMHDYAIZRGVEC-UHFFFAOYSA-N 1 0 383.916 3.571 20 30 GHEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(c3cccc4ccccc43)CC2)C1 ZINC000329249637 861201646 /nfs/dbraw/zinc/20/16/46/861201646.db2.gz TWBXPRHCEBFXSS-OAQYLSRUSA-N 1 0 393.531 3.987 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000329250045 861206276 /nfs/dbraw/zinc/20/62/76/861206276.db2.gz XKRPCZOKLPCZHZ-ROUUACIJSA-N 1 0 387.553 3.760 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000599434141 861204518 /nfs/dbraw/zinc/20/45/18/861204518.db2.gz SBBPNWXLSQPAED-LJQANCHMSA-N 1 0 394.918 3.758 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc3nsnc3c1)c1ccccc1O2 ZINC000329250773 861206864 /nfs/dbraw/zinc/20/68/64/861206864.db2.gz XUGWGIGTEHWTNK-SFHVURJKSA-N 1 0 394.500 3.984 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000161750356 861209682 /nfs/dbraw/zinc/20/96/82/861209682.db2.gz WNDNMTIISCJWTG-GOSISDBHSA-N 1 0 386.503 3.518 20 30 GHEDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000329256249 861210211 /nfs/dbraw/zinc/21/02/11/861210211.db2.gz BMNGWDIHJSBFOB-NQIIRXRSSA-N 1 0 395.551 3.826 20 30 GHEDRO CC(C)(C)[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000548182265 841549292 /nfs/dbraw/zinc/54/92/92/841549292.db2.gz MEWSNFYUDWFMRO-KRWDZBQOSA-N 1 0 396.457 3.753 20 30 GHEDRO CC(C)O[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000581545985 841644235 /nfs/dbraw/zinc/64/42/35/841644235.db2.gz NVMBHBQSSHPHQA-OAHLLOKOSA-N 1 0 375.538 3.717 20 30 GHEDRO COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594433677 841691814 /nfs/dbraw/zinc/69/18/14/841691814.db2.gz QNJHSPZOVVIYDZ-YJBOKZPZSA-N 1 0 377.916 3.541 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)c2)c1 ZINC000500246476 841726738 /nfs/dbraw/zinc/72/67/38/841726738.db2.gz VRWXTUTUCOGBAR-HSZRJFAPSA-N 1 0 390.458 3.970 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@@H](C)O1 ZINC000109381791 841730224 /nfs/dbraw/zinc/73/02/24/841730224.db2.gz LXHCAQAWUVWBCW-QZTJIDSGSA-N 1 0 398.551 3.841 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cc(Cl)ccc1Cl)[n+]1cccc(CO)c1 ZINC000123721908 841840792 /nfs/dbraw/zinc/84/07/92/841840792.db2.gz CLDUOQDGWOGRCS-UHFFFAOYSA-O 1 0 398.335 3.712 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000329285549 861246621 /nfs/dbraw/zinc/24/66/21/861246621.db2.gz GNBQVFWLFDLVDC-XLIONFOSSA-N 1 0 386.540 3.902 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000160987303 841932799 /nfs/dbraw/zinc/93/27/99/841932799.db2.gz PFFMUDOKISGHEU-IBGZPJMESA-N 1 0 376.500 3.962 20 30 GHEDRO COc1cc(OC)c(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000603846496 861265550 /nfs/dbraw/zinc/26/55/50/861265550.db2.gz DWGOCRDFBKMOIW-UHFFFAOYSA-N 1 0 396.487 3.842 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1C#N ZINC000161020540 842130189 /nfs/dbraw/zinc/13/01/89/842130189.db2.gz YNRHMPDRJJDWMS-UHFFFAOYSA-N 1 0 392.459 3.975 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@]4(C3)CCCOC4)sc2C1 ZINC000585756198 842263871 /nfs/dbraw/zinc/26/38/71/842263871.db2.gz LLPJEKLQMXRJMA-QVKFZJNVSA-N 1 0 387.549 3.576 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2Cc3cccc(O)c3C2)sc2c1CCCCC2 ZINC000570264483 842276347 /nfs/dbraw/zinc/27/63/47/842276347.db2.gz GSBPSZCDSGDHNY-OAHLLOKOSA-N 1 0 395.528 3.680 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)NCc3ccc(C#N)cc3)c(C)c2c1 ZINC000541653835 842323720 /nfs/dbraw/zinc/32/37/20/842323720.db2.gz YGYYKDJLYPAILP-HNNXBMFYSA-N 1 0 377.444 3.589 20 30 GHEDRO O=C(Nc1cccc(CSC2CCOCC2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329340673 861303641 /nfs/dbraw/zinc/30/36/41/861303641.db2.gz RSYVBZAXZMIKIW-WOJBJXKFSA-N 1 0 389.565 3.861 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329348828 861311121 /nfs/dbraw/zinc/31/11/21/861311121.db2.gz SJCFGFKPOFUMDG-ZIFCJYIRSA-N 1 0 396.539 3.643 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000891648260 842536107 /nfs/dbraw/zinc/53/61/07/842536107.db2.gz LRHAGUIZODMAOV-UHFFFAOYSA-N 1 0 382.533 3.947 20 30 GHEDRO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)c1 ZINC000247316554 842659587 /nfs/dbraw/zinc/65/95/87/842659587.db2.gz WPXAXLCDJJMBGE-FXAWDEMLSA-N 1 0 375.513 3.510 20 30 GHEDRO C=CCN1CC(=O)N(C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000761350952 861332617 /nfs/dbraw/zinc/33/26/17/861332617.db2.gz CCGCNSUDQATDAG-MAUKXSAKSA-N 1 0 395.425 3.539 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000247432005 842786136 /nfs/dbraw/zinc/78/61/36/842786136.db2.gz WLXXPYCBIWGYSK-WSTZPKSXSA-N 1 0 387.524 3.747 20 30 GHEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000662166207 842786472 /nfs/dbraw/zinc/78/64/72/842786472.db2.gz VQZIHFMCWHXTDS-RTBURBONSA-N 1 0 396.314 3.597 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000329377202 861349290 /nfs/dbraw/zinc/34/92/90/861349290.db2.gz LYDACUKUNGPQBX-PWRODBHTSA-N 1 0 389.515 3.645 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1OCc1ccccc1 ZINC000471857320 842885806 /nfs/dbraw/zinc/88/58/06/842885806.db2.gz NZTCGYBQXXZPBG-IPMKNSEASA-N 1 0 395.528 3.699 20 30 GHEDRO N#CCC1(C[NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000430757887 842939912 /nfs/dbraw/zinc/93/99/12/842939912.db2.gz XQZDGOKCZSQDAR-AWEZNQCLSA-N 1 0 382.245 3.788 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512193737 842964831 /nfs/dbraw/zinc/96/48/31/842964831.db2.gz FUTYSQDSAACHMW-OXJNMPFZSA-N 1 0 397.567 3.589 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000549588889 843006518 /nfs/dbraw/zinc/00/65/18/843006518.db2.gz LIUDJXVAPDPTNP-LJQANCHMSA-N 1 0 385.527 3.863 20 30 GHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@H](C(C)(C)C)[C@H](O)C3)n2)C1 ZINC000329404330 861377692 /nfs/dbraw/zinc/37/76/92/861377692.db2.gz CHWBDUCQRAIZJM-DJIMGWMZSA-N 1 0 394.585 3.649 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000599596601 861384220 /nfs/dbraw/zinc/38/42/20/861384220.db2.gz CNQQCOLUDHSUEX-RHSMWYFYSA-N 1 0 380.448 3.621 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000481450749 861387271 /nfs/dbraw/zinc/38/72/71/861387271.db2.gz YAJZMELYMDRYHN-PXAZEXFGSA-N 1 0 377.897 3.968 20 30 GHEDRO CN(C(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)C1(C#N)CCCCC1 ZINC000107898465 843247326 /nfs/dbraw/zinc/24/73/26/843247326.db2.gz AJXCJOZRZFIRFC-UHFFFAOYSA-N 1 0 389.927 3.620 20 30 GHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000051377010 843290333 /nfs/dbraw/zinc/29/03/33/843290333.db2.gz DAWWITPOYYJYDP-OAQYLSRUSA-N 1 0 376.504 3.798 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261603975 843330618 /nfs/dbraw/zinc/33/06/18/843330618.db2.gz CWFWVKFPCRUFSH-XUVXKRRUSA-N 1 0 394.519 3.663 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC([NH+](C)C)CC2)cc1OC ZINC000091670528 843335056 /nfs/dbraw/zinc/33/50/56/843335056.db2.gz KJHWFLWLIUBZIB-UHFFFAOYSA-N 1 0 383.330 3.549 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000548417101 843336945 /nfs/dbraw/zinc/33/69/45/843336945.db2.gz UKTDQAVULZMTMZ-KUHUBIRLSA-N 1 0 389.833 3.913 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)CCC[NH2+]1 ZINC000662518190 843383574 /nfs/dbraw/zinc/38/35/74/843383574.db2.gz AVBZROOMPHJGFS-HSZRJFAPSA-N 1 0 377.488 3.529 20 30 GHEDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662571968 843414460 /nfs/dbraw/zinc/41/44/60/843414460.db2.gz LMVASLPHIAESOX-CABZTGNLSA-N 1 0 386.311 3.833 20 30 GHEDRO COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000512339493 843446871 /nfs/dbraw/zinc/44/68/71/843446871.db2.gz WMRDHTLLKZMXSE-JRTNDBBKSA-N 1 0 389.499 3.893 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000510769298 843451343 /nfs/dbraw/zinc/45/13/43/843451343.db2.gz VMYXGKLLJLOQSO-UONOGXRCSA-N 1 0 398.429 3.741 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)cc1OC ZINC000500479982 843510303 /nfs/dbraw/zinc/51/03/03/843510303.db2.gz DGGZTYZIYRBDPW-NRFANRHFSA-N 1 0 390.483 3.953 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418662711 843511407 /nfs/dbraw/zinc/51/14/07/843511407.db2.gz UWBDITGOFDGOAB-VSKRKVRLSA-N 1 0 376.504 3.948 20 30 GHEDRO Cc1cccc2c1CC[C@@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000105291053 843527960 /nfs/dbraw/zinc/52/79/60/843527960.db2.gz YNILYHKAVAWXDB-QHCPKHFHSA-N 1 0 388.515 3.772 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418709729 843565486 /nfs/dbraw/zinc/56/54/86/843565486.db2.gz DFPNSMOLXWCZRT-CZUORRHYSA-N 1 0 398.320 3.803 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000555625747 861430691 /nfs/dbraw/zinc/43/06/91/861430691.db2.gz JWXKJJPCLMEBCE-PXNSSMCTSA-N 1 0 395.478 3.830 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000278895108 843599557 /nfs/dbraw/zinc/59/95/57/843599557.db2.gz YXEGNMXGOSGQGU-NRFANRHFSA-N 1 0 383.517 3.584 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000105485701 843644126 /nfs/dbraw/zinc/64/41/26/843644126.db2.gz MTVXDALHJACNNC-HTAPYJJXSA-N 1 0 399.922 3.794 20 30 GHEDRO CS(=O)(=O)N(Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000418828033 843669858 /nfs/dbraw/zinc/66/98/58/843669858.db2.gz MCORUUJCNWOABA-UHFFFAOYSA-N 1 0 383.517 3.510 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2Br)CC1 ZINC000178971955 861446306 /nfs/dbraw/zinc/44/63/06/861446306.db2.gz BHBJZXNFYFTZFY-UHFFFAOYSA-N 1 0 380.330 3.634 20 30 GHEDRO [NH2+]=C(NCCc1ccccc1Br)Nc1ccc2c(c1)OCCCO2 ZINC000261986178 843733486 /nfs/dbraw/zinc/73/34/86/843733486.db2.gz JZBNSLUSKZOCHH-UHFFFAOYSA-N 1 0 390.281 3.580 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCCC[C@@H]1C ZINC000603961511 861454458 /nfs/dbraw/zinc/45/44/58/861454458.db2.gz ZKISIHOGOBKVHX-DLBZAZTESA-N 1 0 381.476 3.723 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000549667842 843781077 /nfs/dbraw/zinc/78/10/77/843781077.db2.gz JPYWXIZOAVCDQT-UHFFFAOYSA-N 1 0 377.492 3.745 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000538095628 843793919 /nfs/dbraw/zinc/79/39/19/843793919.db2.gz XQTANCPRPNKXFD-UHFFFAOYSA-N 1 0 395.347 3.668 20 30 GHEDRO CCOC1CC2(C1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000512822919 843805882 /nfs/dbraw/zinc/80/58/82/843805882.db2.gz ISAWQEGZFUMXQN-VWRAKTAISA-N 1 0 383.536 3.830 20 30 GHEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000512443811 843819530 /nfs/dbraw/zinc/81/95/30/843819530.db2.gz HQCPFCJAMCGAEU-HOTGVXAUSA-N 1 0 389.565 3.843 20 30 GHEDRO Clc1ccccc1C#CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512450098 843832661 /nfs/dbraw/zinc/83/26/61/843832661.db2.gz OISISTSFGWAGHZ-HSZRJFAPSA-N 1 0 393.962 3.584 20 30 GHEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000512449907 843840120 /nfs/dbraw/zinc/84/01/20/843840120.db2.gz MJOOAEQRDQZSFZ-OKZBNKHCSA-N 1 0 389.565 3.892 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC[C@H]1CC(C)C ZINC000669334689 843842224 /nfs/dbraw/zinc/84/22/24/843842224.db2.gz CZPOXHABPVVSPR-ZCNNSNEGSA-N 1 0 387.572 3.795 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542091198 843879198 /nfs/dbraw/zinc/87/91/98/843879198.db2.gz SOUZZOLXVLFFKK-JPYJTQIMSA-N 1 0 386.499 3.942 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512486470 843993066 /nfs/dbraw/zinc/99/30/66/843993066.db2.gz MGTZRPHLMUBESM-QHCPKHFHSA-N 1 0 394.950 3.604 20 30 GHEDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000433313083 843999473 /nfs/dbraw/zinc/99/94/73/843999473.db2.gz UAXUKVOXMOHORT-UXHICEINSA-N 1 0 381.524 3.932 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC[C@H]21 ZINC000610814882 844648502 /nfs/dbraw/zinc/64/85/02/844648502.db2.gz GTUZBFQXTKDPOP-YLJYHZDGSA-N 1 0 391.475 3.694 20 30 GHEDRO CCOc1ccc(SCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047011070 844677886 /nfs/dbraw/zinc/67/78/86/844677886.db2.gz UHBOMEYPZRWQJZ-UHFFFAOYSA-N 1 0 397.544 3.639 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSc1ccccc1F ZINC000047011304 844681524 /nfs/dbraw/zinc/68/15/24/844681524.db2.gz LHLSNLAMLNZKLQ-UHFFFAOYSA-N 1 0 385.508 3.770 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000277141883 844744088 /nfs/dbraw/zinc/74/40/88/844744088.db2.gz HTJSJKZASRMANM-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO N#CC1(CCCC[NH+]2CCN(c3ccc(Br)cn3)CC2)CCC1 ZINC001167936545 844770864 /nfs/dbraw/zinc/77/08/64/844770864.db2.gz IPTFYEZGJZALRC-UHFFFAOYSA-N 1 0 377.330 3.830 20 30 GHEDRO C=C(Br)CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000729261444 844816967 /nfs/dbraw/zinc/81/69/67/844816967.db2.gz CMGPCIQTVWZWSY-HNNXBMFYSA-N 1 0 381.314 3.578 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000512636773 844852252 /nfs/dbraw/zinc/85/22/52/844852252.db2.gz OABBDKPXCOQKMX-IUODEOHRSA-N 1 0 382.357 3.807 20 30 GHEDRO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)cn1 ZINC000599697886 861505127 /nfs/dbraw/zinc/50/51/27/861505127.db2.gz HZCDHUCTAYYUGW-QHCPKHFHSA-N 1 0 392.503 3.695 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000413422101 844886193 /nfs/dbraw/zinc/88/61/93/844886193.db2.gz CINSTNRUEOOIRL-NRFANRHFSA-N 1 0 378.520 3.785 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)cc1F ZINC000512653495 844897536 /nfs/dbraw/zinc/89/75/36/844897536.db2.gz FPBCLLYTPNHGQX-WCQYABFASA-N 1 0 375.806 3.946 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000610987022 844991839 /nfs/dbraw/zinc/99/18/39/844991839.db2.gz ODGMOTBMKVQEFT-GOSISDBHSA-N 1 0 390.405 3.790 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000329489595 861522627 /nfs/dbraw/zinc/52/26/27/861522627.db2.gz UWAYNVZFQMRQIR-YPMHNXCESA-N 1 0 382.386 3.951 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000121278573 845347849 /nfs/dbraw/zinc/34/78/49/845347849.db2.gz LLXZLXHVGYOCAO-GOSISDBHSA-N 1 0 389.496 3.779 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235811 845370630 /nfs/dbraw/zinc/37/06/30/845370630.db2.gz IBLSMHMPCZGKOO-PKOBYXMFSA-N 1 0 387.487 3.647 20 30 GHEDRO CN(C)C(=O)CC1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000513408123 845383584 /nfs/dbraw/zinc/38/35/84/845383584.db2.gz KQKCUACIXCLMDD-UHFFFAOYSA-N 1 0 391.515 3.828 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OCC ZINC000513510683 845581710 /nfs/dbraw/zinc/58/17/10/845581710.db2.gz FFXFQRGGXSNGOR-SHTZXODSSA-N 1 0 384.314 3.806 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000538823599 845624837 /nfs/dbraw/zinc/62/48/37/845624837.db2.gz NBZZPHUVDBJDEX-GMAHTHKFSA-N 1 0 389.499 3.628 20 30 GHEDRO C=CCc1cc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cc(OC)c1O ZINC000500903793 845631712 /nfs/dbraw/zinc/63/17/12/845631712.db2.gz ZAWBSFSGAHKLDN-UHFFFAOYSA-N 1 0 390.593 3.971 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)c2ccsc2)cc1OC ZINC000472058872 845633318 /nfs/dbraw/zinc/63/33/18/845633318.db2.gz JEMUBDPVQGNAFA-HNNXBMFYSA-N 1 0 398.322 3.907 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179488909 861600756 /nfs/dbraw/zinc/60/07/56/861600756.db2.gz STKOLKJLGGFOGY-UHFFFAOYSA-N 1 0 380.492 3.965 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1OC ZINC000255460416 845794363 /nfs/dbraw/zinc/79/43/63/845794363.db2.gz UMLZINUPLZRQCW-FLIBITNWSA-N 1 0 398.478 3.790 20 30 GHEDRO C=CCCn1cc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)nn1 ZINC000657303384 845893935 /nfs/dbraw/zinc/89/39/35/845893935.db2.gz NSGTWTKJJAJIGL-UHFFFAOYSA-N 1 0 375.520 3.873 20 30 GHEDRO C[C@H](C#N)Oc1ccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000119694667 845923019 /nfs/dbraw/zinc/92/30/19/845923019.db2.gz FJEZXENNSUXPDJ-GOSISDBHSA-N 1 0 379.504 3.794 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C)C[C@@H]2c2ccccc2F)c1 ZINC001167535348 846096647 /nfs/dbraw/zinc/09/66/47/846096647.db2.gz VEJQBYQIAYVGKQ-MGPUTAFESA-N 1 0 379.435 3.538 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1OC ZINC000414515634 846193625 /nfs/dbraw/zinc/19/36/25/846193625.db2.gz NRBKUGFCFPTSNI-GUTXKFCHSA-N 1 0 384.314 3.926 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)CC1 ZINC000072015487 846223578 /nfs/dbraw/zinc/22/35/78/846223578.db2.gz WJKRAPCZVWWNAA-UHFFFAOYSA-N 1 0 387.936 3.979 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CSCc3ccc(C#N)cc3)C2)CC1 ZINC000072051377 846309726 /nfs/dbraw/zinc/30/97/26/846309726.db2.gz FGESVKVITQNYCO-OAQYLSRUSA-N 1 0 385.577 3.762 20 30 GHEDRO COc1ccc([C@@H](NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)C(C)C)cc1 ZINC000551412634 846363911 /nfs/dbraw/zinc/36/39/11/846363911.db2.gz ZXYIUVPWHVTYAM-QFIPXVFZSA-N 1 0 377.488 3.659 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000551424134 846371868 /nfs/dbraw/zinc/37/18/68/846371868.db2.gz AUICJDWNIRCLHH-ZWKOTPCHSA-N 1 0 387.549 3.861 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000179633728 861675524 /nfs/dbraw/zinc/67/55/24/861675524.db2.gz RIRBQQOBSWCCIN-UHFFFAOYSA-N 1 0 392.503 3.988 20 30 GHEDRO CSc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000280623372 846464680 /nfs/dbraw/zinc/46/46/80/846464680.db2.gz LIRGOTVQULFGLW-UHFFFAOYSA-N 1 0 377.517 3.913 20 30 GHEDRO CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609509244 846505429 /nfs/dbraw/zinc/50/54/29/846505429.db2.gz LZXAIODCACDIIO-KRWDZBQOSA-N 1 0 379.435 3.798 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000551848701 846541833 /nfs/dbraw/zinc/54/18/33/846541833.db2.gz KJADBIJYCAXNLF-IBGZPJMESA-N 1 0 391.515 3.874 20 30 GHEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000419744434 846769488 /nfs/dbraw/zinc/76/94/88/846769488.db2.gz INSLHTMRYNTDMQ-QGZVFWFLSA-N 1 0 377.897 3.512 20 30 GHEDRO COc1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(F)cc1C#N ZINC000599820737 861731169 /nfs/dbraw/zinc/73/11/69/861731169.db2.gz YTOQDPUSIKKSQZ-QGZVFWFLSA-N 1 0 386.427 3.648 20 30 GHEDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000478246556 847023623 /nfs/dbraw/zinc/02/36/23/847023623.db2.gz BIULBYNSPGGCER-YVORESIASA-N 1 0 378.501 3.547 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2OC)cc1OC ZINC000158170702 847040992 /nfs/dbraw/zinc/04/09/92/847040992.db2.gz GBLSZKQERAMMJG-SFHVURJKSA-N 1 0 382.460 3.800 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000272642152 847132183 /nfs/dbraw/zinc/13/21/83/847132183.db2.gz ONMHDRONGZVJLV-PKOBYXMFSA-N 1 0 386.540 3.772 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(CC#N)cc2)CC1 ZINC000536252971 847177845 /nfs/dbraw/zinc/17/78/45/847177845.db2.gz MFGNDWRGYZOIGS-UHFFFAOYSA-N 1 0 382.895 3.800 20 30 GHEDRO C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501793910 847195206 /nfs/dbraw/zinc/19/52/06/847195206.db2.gz MMYMHNBKMWAJKY-MSOLQXFVSA-N 1 0 387.487 3.703 20 30 GHEDRO C[C@H]1C[C@@H]1c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000604096164 861776468 /nfs/dbraw/zinc/77/64/68/861776468.db2.gz QIVWMRZODZYINH-JXFKEZNVSA-N 1 0 380.492 3.548 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)[C@@H]2CCCN(c3ncnc4sccc43)C2)CC1 ZINC000329614007 861777263 /nfs/dbraw/zinc/77/72/63/861777263.db2.gz PALVOWQQQWMUQH-MRXNPFEDSA-N 1 0 385.537 3.516 20 30 GHEDRO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273402950 847328188 /nfs/dbraw/zinc/32/81/88/847328188.db2.gz HFADBZAULSEUOJ-YADHBBJMSA-N 1 0 395.478 3.924 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1OC ZINC000509962418 847376704 /nfs/dbraw/zinc/37/67/04/847376704.db2.gz CDLPGLMQQUEJBM-NRFANRHFSA-N 1 0 394.515 3.583 20 30 GHEDRO COc1ccc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC2CC2)c(OC)c1 ZINC000503232850 847501566 /nfs/dbraw/zinc/50/15/66/847501566.db2.gz PUTXOLYPNAFMNM-UHFFFAOYSA-N 1 0 393.487 3.816 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000502135957 847506074 /nfs/dbraw/zinc/50/60/74/847506074.db2.gz CYZZTUIKKBGZTQ-IBGZPJMESA-N 1 0 375.561 3.816 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccsc1 ZINC000479381237 847629057 /nfs/dbraw/zinc/62/90/57/847629057.db2.gz JYZGXEMCBJXWFB-LJQANCHMSA-N 1 0 382.533 3.991 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)C(C)C ZINC000503405537 847669529 /nfs/dbraw/zinc/66/95/29/847669529.db2.gz JGTYVTFKKKMGMZ-QFIPXVFZSA-N 1 0 397.563 3.990 20 30 GHEDRO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329627977 861818745 /nfs/dbraw/zinc/81/87/45/861818745.db2.gz UKDCBBBXPKSJDU-UHFFFAOYSA-N 1 0 389.540 3.718 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000502311894 847747535 /nfs/dbraw/zinc/74/75/35/847747535.db2.gz JCFOPZLAWLBZPO-GOSISDBHSA-N 1 0 376.294 3.877 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000522496201 861832489 /nfs/dbraw/zinc/83/24/89/861832489.db2.gz FPDLOPFPHARZMF-ROUUACIJSA-N 1 0 377.488 3.667 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000503588729 847816951 /nfs/dbraw/zinc/81/69/51/847816951.db2.gz LPRGXJDMYQGLHL-MOPGFXCFSA-N 1 0 385.479 3.792 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)CCCC2 ZINC000429706524 847926888 /nfs/dbraw/zinc/92/68/88/847926888.db2.gz DGTQUVFPHBEIBR-BEVDRBHNSA-N 1 0 399.560 3.764 20 30 GHEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]2C ZINC000611688307 847962094 /nfs/dbraw/zinc/96/20/94/847962094.db2.gz QAMDBSRDTAGZPS-ZWOKBUDYSA-N 1 0 380.488 3.509 20 30 GHEDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000135568381 848144360 /nfs/dbraw/zinc/14/43/60/848144360.db2.gz CJWOEKQIMUSEAQ-QGZVFWFLSA-N 1 0 397.548 3.570 20 30 GHEDRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cccc(OCCCC#N)c3)C2)c1 ZINC000237466744 848279729 /nfs/dbraw/zinc/27/97/29/848279729.db2.gz CQHBKPSXTNXCQB-FQEVSTJZSA-N 1 0 379.504 3.994 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000604148247 861892347 /nfs/dbraw/zinc/89/23/47/861892347.db2.gz WQNUONITSPRLFL-HSZRJFAPSA-N 1 0 391.515 3.874 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000180051020 861924309 /nfs/dbraw/zinc/92/43/09/861924309.db2.gz KDYYCRKSTUQGLR-OAQYLSRUSA-N 1 0 377.488 3.814 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000582890948 848642603 /nfs/dbraw/zinc/64/26/03/848642603.db2.gz VMRKBLCQODGIDJ-KRWDZBQOSA-N 1 0 383.521 3.747 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000604172390 861927121 /nfs/dbraw/zinc/92/71/21/861927121.db2.gz LGYXTASNEOYTKY-QHCPKHFHSA-N 1 0 391.515 3.874 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000481655024 861958861 /nfs/dbraw/zinc/95/88/61/861958861.db2.gz WAVOASCLODRJGD-PZUNEJSGSA-N 1 0 389.543 3.798 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)[C@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000481672861 861981517 /nfs/dbraw/zinc/98/15/17/861981517.db2.gz GEPDRQQZRWBHDK-PMACEKPBSA-N 1 0 377.573 3.796 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000155513697 849533305 /nfs/dbraw/zinc/53/33/05/849533305.db2.gz NMBHVSBYJBEMHB-KRWDZBQOSA-N 1 0 395.503 3.610 20 30 GHEDRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000155475220 849536820 /nfs/dbraw/zinc/53/68/20/849536820.db2.gz YJUKHGGSVIWQTA-FQEVSTJZSA-N 1 0 378.520 3.661 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000583356821 849698211 /nfs/dbraw/zinc/69/82/11/849698211.db2.gz WRPHGHZEAUYHHX-YADHBBJMSA-N 1 0 377.463 3.856 20 30 GHEDRO COC(=O)[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000434861372 849847428 /nfs/dbraw/zinc/84/74/28/849847428.db2.gz MPGPMLNERRBHEG-JOCHJYFZSA-N 1 0 377.488 3.913 20 30 GHEDRO C[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000514542868 849986902 /nfs/dbraw/zinc/98/69/02/849986902.db2.gz QOGSZWYPSPWXLM-JKSUJKDBSA-N 1 0 397.548 3.847 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000514571642 850002828 /nfs/dbraw/zinc/00/28/28/850002828.db2.gz CCCFMGFSOAKVHC-UHFFFAOYSA-N 1 0 388.581 3.555 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000514579768 850020537 /nfs/dbraw/zinc/02/05/37/850020537.db2.gz JNHHNPAMXJWSIY-FDFHNCONSA-N 1 0 382.552 3.990 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000514639752 850092386 /nfs/dbraw/zinc/09/23/86/850092386.db2.gz JTUASLXRJPAZIP-UHFFFAOYSA-N 1 0 376.508 3.601 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000514660313 850118983 /nfs/dbraw/zinc/11/89/83/850118983.db2.gz UDYZUFXBQHKUSF-GOSISDBHSA-N 1 0 386.503 3.547 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000514702060 850190518 /nfs/dbraw/zinc/19/05/18/850190518.db2.gz KEQJMAFGXWVHPX-QGZVFWFLSA-N 1 0 392.933 3.812 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000486894504 850210941 /nfs/dbraw/zinc/21/09/41/850210941.db2.gz AAOWNHLRMQTWBR-JTSKRJEESA-N 1 0 377.488 3.624 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H]3CCC[C@@H]32)c1C#N ZINC000426457635 850240650 /nfs/dbraw/zinc/24/06/50/850240650.db2.gz GGGGWRYDVXFIGT-XLIONFOSSA-N 1 0 380.492 3.821 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000514800889 850308511 /nfs/dbraw/zinc/30/85/11/850308511.db2.gz MARYCZFXRDCMNY-HXUWFJFHSA-N 1 0 397.567 3.910 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000504818648 850324430 /nfs/dbraw/zinc/32/44/30/850324430.db2.gz KQQQTPGKMJOWMQ-FQEVSTJZSA-N 1 0 383.442 3.674 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000506658976 850328673 /nfs/dbraw/zinc/32/86/73/850328673.db2.gz AEUMZZBBBVAVEK-UXHICEINSA-N 1 0 393.487 3.812 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132400 850403427 /nfs/dbraw/zinc/40/34/27/850403427.db2.gz UGODHYUMSIVNQR-SJORKVTESA-N 1 0 380.492 3.738 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481736070 862157596 /nfs/dbraw/zinc/15/75/96/862157596.db2.gz IXUWBYJPHYOXDC-GOSISDBHSA-N 1 0 381.289 3.830 20 30 GHEDRO C=CCC(F)(F)C(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001270000873 850756665 /nfs/dbraw/zinc/75/66/65/850756665.db2.gz NRTMFLFHBQLIOD-GOSISDBHSA-N 1 0 383.508 3.868 20 30 GHEDRO C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000425405248 850810648 /nfs/dbraw/zinc/81/06/48/850810648.db2.gz XRZDJBZTTNUFEQ-QZTJIDSGSA-N 1 0 376.504 3.707 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(C)(C)C ZINC000522608425 862172150 /nfs/dbraw/zinc/17/21/50/862172150.db2.gz YYKWOCZQXYKVOO-OAQYLSRUSA-N 1 0 378.520 3.969 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000435736466 850823442 /nfs/dbraw/zinc/82/34/42/850823442.db2.gz ANUKEPCTTHMMBL-YOEHRIQHSA-N 1 0 384.314 3.927 20 30 GHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000028007582 850944712 /nfs/dbraw/zinc/94/47/12/850944712.db2.gz PWICPAIGHSWUMN-UHFFFAOYSA-N 1 0 382.895 3.535 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000519386058 850993027 /nfs/dbraw/zinc/99/30/27/850993027.db2.gz YUZMJPIJDZTPOS-UHFFFAOYSA-N 1 0 391.581 3.869 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1C ZINC000440314735 851030708 /nfs/dbraw/zinc/03/07/08/851030708.db2.gz MWXYRSDOZXALNT-UHFFFAOYSA-N 1 0 387.867 3.656 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1sccc1Br ZINC000048238874 851067965 /nfs/dbraw/zinc/06/79/65/851067965.db2.gz WESLIUDZOSUKRW-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000604483245 862224813 /nfs/dbraw/zinc/22/48/13/862224813.db2.gz IUMORUZNMCLBOO-SFHVURJKSA-N 1 0 388.515 3.802 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCN[C@H](c4ccccc4)C3)C2)c(F)c1 ZINC000515634421 851276383 /nfs/dbraw/zinc/27/63/83/851276383.db2.gz LKQCMJIGKJHAMQ-ONTIZHBOSA-N 1 0 378.495 3.749 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000425110349 851343736 /nfs/dbraw/zinc/34/37/36/851343736.db2.gz NFPNCQPRQOQHJX-KBRIMQKVSA-N 1 0 381.442 3.986 20 30 GHEDRO N#Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000515679424 851348221 /nfs/dbraw/zinc/34/82/21/851348221.db2.gz VWGMIXHTXLKXAD-OAHLLOKOSA-N 1 0 379.407 3.643 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000436279693 851400902 /nfs/dbraw/zinc/40/09/02/851400902.db2.gz BRYAZSDLGCZFEB-LBTNJELSSA-N 1 0 381.314 3.737 20 30 GHEDRO CC(C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000473653434 851427373 /nfs/dbraw/zinc/42/73/73/851427373.db2.gz GMWMVPUWIBVODA-QHCPKHFHSA-N 1 0 387.527 3.789 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520863 862243043 /nfs/dbraw/zinc/24/30/43/862243043.db2.gz ZQDKWJWAVRUZRQ-AGHHOFFYSA-N 1 0 377.488 3.985 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000515839478 851546935 /nfs/dbraw/zinc/54/69/35/851546935.db2.gz TYYDGOUDKHJDOT-KXBFYZLASA-N 1 0 385.895 3.614 20 30 GHEDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000430101183 851575549 /nfs/dbraw/zinc/57/55/49/851575549.db2.gz OJPRYKQMAXNRHX-HXUWFJFHSA-N 1 0 388.389 3.894 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000425546900 851612099 /nfs/dbraw/zinc/61/20/99/851612099.db2.gz WKUQKEVOONDFBA-KDOFPFPSSA-N 1 0 389.293 3.753 20 30 GHEDRO CCc1cc(C#N)c(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)s1 ZINC000488586065 851631181 /nfs/dbraw/zinc/63/11/81/851631181.db2.gz XTQFQOJUANBZNC-UHFFFAOYSA-N 1 0 382.533 3.965 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)C2=O)cc1 ZINC000894555197 851701341 /nfs/dbraw/zinc/70/13/41/851701341.db2.gz IDZDFUQMXNSMGW-QGZVFWFLSA-N 1 0 396.903 3.712 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000604562203 862276693 /nfs/dbraw/zinc/27/66/93/862276693.db2.gz LQSIZLRLZXTNTF-KRWDZBQOSA-N 1 0 380.448 3.575 20 30 GHEDRO C=CCCn1cc(CN2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000664836475 851837014 /nfs/dbraw/zinc/83/70/14/851837014.db2.gz KNACKHGKSIULEM-HSZRJFAPSA-N 1 0 393.579 3.977 20 30 GHEDRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000329750653 862291916 /nfs/dbraw/zinc/29/19/16/862291916.db2.gz IHDNAQPLZQZRFR-XSXQVXRUSA-N 1 0 399.539 3.817 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000438002157 851937255 /nfs/dbraw/zinc/93/72/55/851937255.db2.gz SUEOOCSJQCWEGD-SXLOBPIMSA-N 1 0 391.943 3.757 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2=O)cc1 ZINC000489259593 852159276 /nfs/dbraw/zinc/15/92/76/852159276.db2.gz RIDIXRHINZVKPN-GMAHTHKFSA-N 1 0 394.563 3.642 20 30 GHEDRO C[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000517626255 852168028 /nfs/dbraw/zinc/16/80/28/852168028.db2.gz YRVWTRVCOYLKBY-RBUKOAKNSA-N 1 0 377.271 3.834 20 30 GHEDRO CCc1ccc(-c2nc(CC(=O)N(CCC#N)CCC[NH+](C)C)cs2)cc1 ZINC000517661059 852234798 /nfs/dbraw/zinc/23/47/98/852234798.db2.gz IGPALNRWYIEBHZ-UHFFFAOYSA-N 1 0 384.549 3.609 20 30 GHEDRO C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000329816357 862341032 /nfs/dbraw/zinc/34/10/32/862341032.db2.gz ODAUTEMYSNIQOC-IBGZPJMESA-N 1 0 399.583 3.540 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000028960447 852328743 /nfs/dbraw/zinc/32/87/43/852328743.db2.gz LTHXQCLBFWFYSA-UHFFFAOYSA-N 1 0 398.510 3.858 20 30 GHEDRO Cc1cc(C)c(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000028960687 852329335 /nfs/dbraw/zinc/32/93/35/852329335.db2.gz FSSIGOWJGVAQIL-UHFFFAOYSA-N 1 0 390.531 3.630 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)CNc2cccc(C#N)c2)c2cccs2)CC1 ZINC000426002118 852373078 /nfs/dbraw/zinc/37/30/78/852373078.db2.gz NTWSKYIXNQDZHV-LJQANCHMSA-N 1 0 382.533 3.621 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)[NH+]2CCCC2)cc1 ZINC000048517314 852443292 /nfs/dbraw/zinc/44/32/92/852443292.db2.gz PQBZAXKVVGTZIY-OAQYLSRUSA-N 1 0 394.475 3.556 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C(C)C)C2)c1C#N ZINC000438500001 852489609 /nfs/dbraw/zinc/48/96/09/852489609.db2.gz YHDLNKXTLLRQES-GOSISDBHSA-N 1 0 382.508 3.924 20 30 GHEDRO N#CC1(NC(=O)c2ccc3c(c2O)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000436989290 852577587 /nfs/dbraw/zinc/57/75/87/852577587.db2.gz NXDBMYAGARBUEU-UHFFFAOYSA-N 1 0 389.499 3.559 20 30 GHEDRO Clc1ccc(C#CC[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000427015167 852616086 /nfs/dbraw/zinc/61/60/86/852616086.db2.gz KENIMXSBQMBETK-UHFFFAOYSA-N 1 0 378.701 3.988 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)C2=O)cc1 ZINC000490002589 852698779 /nfs/dbraw/zinc/69/87/79/852698779.db2.gz GPZHNXKPFAVQIQ-JOCHJYFZSA-N 1 0 397.482 3.719 20 30 GHEDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437079830 852707521 /nfs/dbraw/zinc/70/75/21/852707521.db2.gz XPGZNGVUSGTTEW-OCDPCBSRSA-N 1 0 392.503 3.674 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1ccc2c(c1)CCO2 ZINC000427121360 852751362 /nfs/dbraw/zinc/75/13/62/852751362.db2.gz IPAYZEHKXLJBMW-UHFFFAOYSA-N 1 0 398.576 3.762 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000516604734 852767495 /nfs/dbraw/zinc/76/74/95/852767495.db2.gz CAWXJUMPAFNCSD-PXNSSMCTSA-N 1 0 390.535 3.846 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1CC1CCCCC1 ZINC000669032103 852768573 /nfs/dbraw/zinc/76/85/73/852768573.db2.gz AECRCYUGLMXSOL-NJYVYQBISA-N 1 0 399.583 3.939 20 30 GHEDRO N#Cc1ccc(OCCCNc2ccccc2C[NH+]2CCC(CO)CC2)cc1 ZINC000171561063 862399049 /nfs/dbraw/zinc/39/90/49/862399049.db2.gz HYFQVHMDVHQPDL-UHFFFAOYSA-N 1 0 379.504 3.644 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1N(C)C ZINC000507426000 852904151 /nfs/dbraw/zinc/90/41/51/852904151.db2.gz HDCPZRHACLGAFH-FOIQADDNSA-N 1 0 380.467 3.610 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490363739 852962427 /nfs/dbraw/zinc/96/24/27/852962427.db2.gz HKMQEUMSZLJODD-PXNSSMCTSA-N 1 0 392.503 3.989 20 30 GHEDRO O=C(CC1CCCCC1)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329919150 862421683 /nfs/dbraw/zinc/42/16/83/862421683.db2.gz GFMLMRMVKZWUCJ-OYRHEFFESA-N 1 0 383.536 3.504 20 30 GHEDRO C[C@@]1(CNC(=O)CSc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000490513430 853063494 /nfs/dbraw/zinc/06/34/94/853063494.db2.gz KRCASWSYXJCVEE-QFIPXVFZSA-N 1 0 379.529 3.821 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000516855043 853071137 /nfs/dbraw/zinc/07/11/37/853071137.db2.gz NYSQTEZWSILQCG-JENIJYKNSA-N 1 0 376.460 3.860 20 30 GHEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000329927699 862431423 /nfs/dbraw/zinc/43/14/23/862431423.db2.gz XDJPSXGFSHRUFD-ZWKOTPCHSA-N 1 0 393.535 3.939 20 30 GHEDRO C=CC[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255831 853123024 /nfs/dbraw/zinc/12/30/24/853123024.db2.gz SRJKIHMIADRPJF-SFHVURJKSA-N 1 0 385.475 3.597 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000437516538 853217307 /nfs/dbraw/zinc/21/73/07/853217307.db2.gz IJOHSAKEGZPVBK-HXUWFJFHSA-N 1 0 397.906 3.874 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)C1 ZINC000329940318 862442108 /nfs/dbraw/zinc/44/21/08/862442108.db2.gz GECCHZAGJHJBGL-VURPSTOHSA-N 1 0 381.524 3.516 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000518373450 853271719 /nfs/dbraw/zinc/27/17/19/853271719.db2.gz WKNWXLAOZPNDAY-UHFFFAOYSA-N 1 0 393.535 3.656 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000517060545 853315847 /nfs/dbraw/zinc/31/58/47/853315847.db2.gz KYJMSLZRPFBPSW-UHFFFAOYSA-N 1 0 379.357 3.626 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000329954630 862454378 /nfs/dbraw/zinc/45/43/78/862454378.db2.gz NXOZBCWCUFQLKU-HNNXBMFYSA-N 1 0 375.900 3.524 20 30 GHEDRO CC(C)OCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000518447704 853352586 /nfs/dbraw/zinc/35/25/86/853352586.db2.gz ARHVNFDUTLTUCV-HNNXBMFYSA-N 1 0 377.554 3.820 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Cl ZINC000517126459 853428652 /nfs/dbraw/zinc/42/86/52/853428652.db2.gz FKMRGRNHUZKEAF-UHFFFAOYSA-N 1 0 376.909 3.553 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](C3CC3)C2)c1C#N ZINC000491110518 853437176 /nfs/dbraw/zinc/43/71/76/853437176.db2.gz QPNKIRYIDISELB-SFHVURJKSA-N 1 0 380.492 3.678 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccccc1Br ZINC000151478330 853476559 /nfs/dbraw/zinc/47/65/59/853476559.db2.gz FQWSPYOTAFTROL-IBGZPJMESA-N 1 0 389.293 3.503 20 30 GHEDRO CC(C)(C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(F)cc(C#N)c1 ZINC000586803015 853535198 /nfs/dbraw/zinc/53/51/98/853535198.db2.gz UTKHTGHAFDFIKU-UHFFFAOYSA-N 1 0 395.478 3.570 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccccc2C#N)C1 ZINC000519867878 853568173 /nfs/dbraw/zinc/56/81/73/853568173.db2.gz QHYXQAOGDPOSMG-UHFFFAOYSA-N 1 0 386.499 3.942 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(O)c(OC)c1 ZINC000164022638 853647510 /nfs/dbraw/zinc/64/75/10/853647510.db2.gz BTPSFYZFTXHVNL-QGZVFWFLSA-N 1 0 386.536 3.600 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000156324766 853651715 /nfs/dbraw/zinc/65/17/15/853651715.db2.gz OLDPFRZGGKQBIN-LJQANCHMSA-N 1 0 379.287 3.783 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000570964237 853663376 /nfs/dbraw/zinc/66/33/76/853663376.db2.gz ISHHMFBZBNWILU-INIZCTEOSA-N 1 0 394.548 3.607 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccccc2OCc2ccccc2)CC1 ZINC000517335341 853665108 /nfs/dbraw/zinc/66/51/08/853665108.db2.gz QUNVHNFPDZZJHS-UHFFFAOYSA-N 1 0 379.504 3.715 20 30 GHEDRO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579110484 853724024 /nfs/dbraw/zinc/72/40/24/853724024.db2.gz WNPKDSHEESBINU-OAHLLOKOSA-N 1 0 395.894 3.718 20 30 GHEDRO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000441065841 853866776 /nfs/dbraw/zinc/86/67/76/853866776.db2.gz RPQGELINYAECJV-XYHYBEPMSA-N 1 0 387.527 3.874 20 30 GHEDRO CCN(CC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000156612663 853938703 /nfs/dbraw/zinc/93/87/03/853938703.db2.gz VOBFKVBXDAXAEP-FQEVSTJZSA-N 1 0 387.524 3.561 20 30 GHEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481919841 862516733 /nfs/dbraw/zinc/51/67/33/862516733.db2.gz DTGKDNGMNDWNPN-QVKFZJNVSA-N 1 0 383.517 3.585 20 30 GHEDRO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156664259 853975875 /nfs/dbraw/zinc/97/58/75/853975875.db2.gz UPGSMVCDLNMYRG-NRFANRHFSA-N 1 0 399.535 3.703 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(NC(=O)C3CCC(NC(=O)C4CC4)CC3)c2)CC1 ZINC000330033572 862520560 /nfs/dbraw/zinc/52/05/60/862520560.db2.gz VRJROVZVBHIRLZ-UHFFFAOYSA-N 1 0 398.551 3.947 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000164466517 854017381 /nfs/dbraw/zinc/01/73/81/854017381.db2.gz AWRAUKWDRPWSAZ-HXUWFJFHSA-N 1 0 375.509 3.679 20 30 GHEDRO COCCOc1ccc(C#N)cc1N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571721657 854026981 /nfs/dbraw/zinc/02/69/81/854026981.db2.gz QLFWULMOUFJEPA-GHTZIAJQSA-N 1 0 379.504 3.906 20 30 GHEDRO O=C(NC1CCC(C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1)C1CC1 ZINC000330037411 862523725 /nfs/dbraw/zinc/52/37/25/862523725.db2.gz ZCPBCALTZMUWSO-UHFFFAOYSA-N 1 0 375.557 3.636 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441282691 854052536 /nfs/dbraw/zinc/05/25/36/854052536.db2.gz HXAJZSCBIBHIAU-SQNIBIBYSA-N 1 0 387.549 3.625 20 30 GHEDRO CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588236025 854227866 /nfs/dbraw/zinc/22/78/66/854227866.db2.gz ZEZCPWFYHKKBNL-DFNIBXOVSA-N 1 0 391.475 3.834 20 30 GHEDRO Cn1c(SCC(=O)NC2CC([NH+]3CCCCC3)C2)nnc1-c1cccs1 ZINC000330060948 862543634 /nfs/dbraw/zinc/54/36/34/862543634.db2.gz NNZZMDRHDTXNCI-UHFFFAOYSA-N 1 0 391.566 3.609 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000112453741 854238494 /nfs/dbraw/zinc/23/84/94/854238494.db2.gz NMMKHTXIPNWVRK-UHFFFAOYSA-N 1 0 378.314 3.562 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN(Cc2ccccc2)C2CC2)cc1 ZINC000055984572 854285080 /nfs/dbraw/zinc/28/50/80/854285080.db2.gz ADNFZFDSZULRGA-UHFFFAOYSA-N 1 0 377.488 3.997 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1C(F)(F)F ZINC000894983046 854325914 /nfs/dbraw/zinc/32/59/14/854325914.db2.gz MQKABQOMFCSHPA-UHFFFAOYSA-N 1 0 391.393 3.851 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000330083714 862561574 /nfs/dbraw/zinc/56/15/74/862561574.db2.gz BOGYIKVUFARXCN-SJLPKXTDSA-N 1 0 397.313 3.697 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)c1ccco1 ZINC000588766156 854428668 /nfs/dbraw/zinc/42/86/68/854428668.db2.gz GYSNMDYAJHNEAR-DJPFJPOOSA-N 1 0 383.492 3.800 20 30 GHEDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CCCc2c[nH]nc21 ZINC000330088484 862564374 /nfs/dbraw/zinc/56/43/74/862564374.db2.gz UTGZHFVZDLFYFU-HXUWFJFHSA-N 1 0 381.524 3.867 20 30 GHEDRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000330090800 862567490 /nfs/dbraw/zinc/56/74/90/862567490.db2.gz POEUKKXQIPUEFY-UHFFFAOYSA-N 1 0 398.555 3.570 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000188451538 854472968 /nfs/dbraw/zinc/47/29/68/854472968.db2.gz CKLMKJJWKNNNRF-JOCHJYFZSA-N 1 0 387.524 3.668 20 30 GHEDRO O=C(NCC1CCC(F)(F)CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000328637795 854486225 /nfs/dbraw/zinc/48/62/25/854486225.db2.gz CWYCBURRKBGDLC-LJQANCHMSA-N 1 0 395.494 3.607 20 30 GHEDRO CN(CC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)c1cccs1 ZINC000328649082 854488582 /nfs/dbraw/zinc/48/85/82/854488582.db2.gz AQVWPRRGFHMSAR-UHFFFAOYSA-N 1 0 377.554 3.823 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCc4cnn(C)c4C3)cc2)C1 ZINC000328673689 854499412 /nfs/dbraw/zinc/49/94/12/854499412.db2.gz PKEFMIHFFLWSGI-XLIONFOSSA-N 1 0 380.536 3.914 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000328703495 854515688 /nfs/dbraw/zinc/51/56/88/854515688.db2.gz OGAFQRANLXMQEH-KRWDZBQOSA-N 1 0 376.508 3.677 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c(C)c1 ZINC000328738182 854522740 /nfs/dbraw/zinc/52/27/40/854522740.db2.gz MABRYYOACMKWPJ-DLBZAZTESA-N 1 0 383.496 3.807 20 30 GHEDRO O=C(Nc1nccn1Cc1ccc(Br)cc1)C12CCC[NH+]1CCC2 ZINC000328767240 854534022 /nfs/dbraw/zinc/53/40/22/854534022.db2.gz HMVWATUKGGUYLK-UHFFFAOYSA-N 1 0 389.297 3.910 20 30 GHEDRO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C(F)F ZINC000328814931 854546594 /nfs/dbraw/zinc/54/65/94/854546594.db2.gz CGHRMBLYTDFNKT-RHSMWYFYSA-N 1 0 395.498 3.971 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328833861 854567542 /nfs/dbraw/zinc/56/75/42/854567542.db2.gz RWPYQODEIHPJAP-YYQUZTFQSA-N 1 0 386.414 3.544 20 30 GHEDRO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1cccs1 ZINC000328864651 854585441 /nfs/dbraw/zinc/58/54/41/854585441.db2.gz ZJTIYEVVGFWJRV-CYJAXWMASA-N 1 0 380.554 3.654 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000328888080 854598270 /nfs/dbraw/zinc/59/82/70/854598270.db2.gz PGUBWPQHKHMARE-GDIGMMSISA-N 1 0 390.478 3.871 20 30 GHEDRO N#CCN1CCC([NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000588955028 854611869 /nfs/dbraw/zinc/61/18/69/854611869.db2.gz SLWVGSIDELYBOG-SFHVURJKSA-N 1 0 387.325 3.885 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000588976292 854623191 /nfs/dbraw/zinc/62/31/91/854623191.db2.gz OARYPLVAAUJKQT-OAHLLOKOSA-N 1 0 382.460 3.975 20 30 GHEDRO CCc1cc(N2CCC[C@@H](/[NH+]=C/c3ccc(N(CC)CC)cc3O)C2)ncn1 ZINC000732913410 862587359 /nfs/dbraw/zinc/58/73/59/862587359.db2.gz URZKUKFGOUMSRM-IXOWOOARSA-N 1 0 381.524 3.679 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000458907395 854649642 /nfs/dbraw/zinc/64/96/42/854649642.db2.gz WRYXWVKMZZKOTM-LJQANCHMSA-N 1 0 386.496 3.521 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1)C1CC1 ZINC000589113511 854695271 /nfs/dbraw/zinc/69/52/71/854695271.db2.gz KWEPXGFSYWNTDD-UHFFFAOYSA-N 1 0 391.515 3.831 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c(F)cc1C ZINC000330573406 854702634 /nfs/dbraw/zinc/70/26/34/854702634.db2.gz PQDDWZJBCAECTC-KDOFPFPSSA-N 1 0 379.476 3.518 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N[C@H]1CCCSC1)[NH+]1CCCCC1 ZINC000330125195 862595961 /nfs/dbraw/zinc/59/59/61/862595961.db2.gz LUYXUDISQHFYCB-WMZOPIPTSA-N 1 0 377.554 3.621 20 30 GHEDRO C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H](C)[S@]1=O ZINC000330133488 862602651 /nfs/dbraw/zinc/60/26/51/862602651.db2.gz RESDCMCOUFTOPR-DBYLTBGSSA-N 1 0 393.578 3.564 20 30 GHEDRO Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1NC(=O)NC(C)(C)C ZINC000330896050 854778588 /nfs/dbraw/zinc/77/85/88/854778588.db2.gz LDLPVRLULGYAKT-GOSISDBHSA-N 1 0 388.556 3.875 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c(Br)c1 ZINC000589279291 854781748 /nfs/dbraw/zinc/78/17/48/854781748.db2.gz FBJUIMCUSCJTRK-SFHVURJKSA-N 1 0 382.305 3.958 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000056621651 854815549 /nfs/dbraw/zinc/81/55/49/854815549.db2.gz UWCKSJHKPRHEFU-UHFFFAOYSA-N 1 0 378.476 3.874 20 30 GHEDRO N#Cc1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1 ZINC000589390658 854847214 /nfs/dbraw/zinc/84/72/14/854847214.db2.gz KOLJDRQIKGJIDI-UHFFFAOYSA-N 1 0 393.450 3.795 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000176500911 862629469 /nfs/dbraw/zinc/62/94/69/862629469.db2.gz VLKDXIWMNRLCMS-IRLDBZIGSA-N 1 0 385.552 3.802 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128657810 855016491 /nfs/dbraw/zinc/01/64/91/855016491.db2.gz KFAUKYGPGOIEEJ-CVEARBPZSA-N 1 0 375.900 3.524 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000045611740 855035664 /nfs/dbraw/zinc/03/56/64/855035664.db2.gz XJZKZVFVSALYJY-KRWDZBQOSA-N 1 0 395.450 3.721 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC000669335914 855040219 /nfs/dbraw/zinc/04/02/19/855040219.db2.gz ZUSBDEZPMWZOBK-AHRSYUTCSA-N 1 0 399.514 3.726 20 30 GHEDRO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)c1 ZINC000115762570 855088842 /nfs/dbraw/zinc/08/88/42/855088842.db2.gz WPXAXLCDJJMBGE-XLIONFOSSA-N 1 0 375.513 3.510 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)C[NH+]1CCCC1 ZINC000056984655 855155442 /nfs/dbraw/zinc/15/54/42/855155442.db2.gz OCHRAVMPFDFDNP-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2O)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000669343941 855167212 /nfs/dbraw/zinc/16/72/12/855167212.db2.gz VJBBMBKBOCGIBF-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000106261217 855203301 /nfs/dbraw/zinc/20/33/01/855203301.db2.gz MZLPCHNPWMUYDT-UHFFFAOYSA-N 1 0 398.482 3.853 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccnc2Oc2cccc(F)c2)CC1 ZINC000106275812 855204854 /nfs/dbraw/zinc/20/48/54/855204854.db2.gz ZDXYKHOXXJKOLG-UHFFFAOYSA-N 1 0 398.482 3.853 20 30 GHEDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000590025766 855238514 /nfs/dbraw/zinc/23/85/14/855238514.db2.gz MCQAAUHABZLFJU-UHFFFAOYSA-N 1 0 396.560 3.957 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248400524 855257713 /nfs/dbraw/zinc/25/77/13/855257713.db2.gz LBVMPZSJMMLNGZ-JLMWRMLUSA-N 1 0 383.536 3.731 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CC4(C#N)CC4)cc3)CC2)c1 ZINC000590154534 855301219 /nfs/dbraw/zinc/30/12/19/855301219.db2.gz LKDLAGWMAMGWJB-UHFFFAOYSA-N 1 0 388.515 3.950 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCc1ccc(Br)cc1 ZINC000106861680 855308394 /nfs/dbraw/zinc/30/83/94/855308394.db2.gz IIIKQYSUTABOJB-CQSZACIVSA-N 1 0 386.293 3.822 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCc1ccc(Br)cc1 ZINC000106861678 855308657 /nfs/dbraw/zinc/30/86/57/855308657.db2.gz IIIKQYSUTABOJB-AWEZNQCLSA-N 1 0 386.293 3.822 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(F)c(Br)c1 ZINC000590192530 855315487 /nfs/dbraw/zinc/31/54/87/855315487.db2.gz DXTCEDSDWTTXHW-LBPRGKRZSA-N 1 0 382.277 3.581 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCC1 ZINC000184655103 855469429 /nfs/dbraw/zinc/46/94/29/855469429.db2.gz JRSUYMPKJIFJII-SJLPKXTDSA-N 1 0 398.551 3.524 20 30 GHEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1ccc(C#N)s1 ZINC000542696398 855477768 /nfs/dbraw/zinc/47/77/68/855477768.db2.gz PBYOZJNDJXXMLX-UHFFFAOYSA-N 1 0 378.295 3.809 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091248151 855500841 /nfs/dbraw/zinc/50/08/41/855500841.db2.gz ZTFHXCRVIQMMOI-LJQANCHMSA-N 1 0 376.504 3.708 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 ZINC000171720673 862688097 /nfs/dbraw/zinc/68/80/97/862688097.db2.gz HHFGJBITFFPBEA-UHFFFAOYSA-N 1 0 377.488 3.569 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc(Br)cc2C#N)CC1 ZINC000590685373 855529940 /nfs/dbraw/zinc/52/99/40/855529940.db2.gz DPGMEPFSCRYMKZ-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO N#Cc1cc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1Cl ZINC000542717788 855541334 /nfs/dbraw/zinc/54/13/34/855541334.db2.gz LWLHYAAYOLUTCH-UHFFFAOYSA-N 1 0 383.879 3.616 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(-c2ccccc2)nn1C ZINC000590777744 855580266 /nfs/dbraw/zinc/58/02/66/855580266.db2.gz MJKNBCLBZWNEIP-QGZVFWFLSA-N 1 0 386.503 3.673 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000330256429 862697644 /nfs/dbraw/zinc/69/76/44/862697644.db2.gz QBUWFQWZMNUMLN-DVHCVUMVSA-N 1 0 397.629 3.568 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000590921999 855654419 /nfs/dbraw/zinc/65/44/19/855654419.db2.gz SJJWVNFQADAYFE-INIZCTEOSA-N 1 0 381.451 3.951 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(Br)c1 ZINC000182574366 855665993 /nfs/dbraw/zinc/66/59/93/855665993.db2.gz MAIDWNSMCZHZHY-CQSZACIVSA-N 1 0 378.314 3.785 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301887342 855776250 /nfs/dbraw/zinc/77/62/50/855776250.db2.gz QSRDZJHTBFRCCG-MSOLQXFVSA-N 1 0 375.394 3.624 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1nc2c(cc1C#N)CCCC2 ZINC000301975718 855792488 /nfs/dbraw/zinc/79/24/88/855792488.db2.gz LVXFXUOJEQMNAV-UHFFFAOYSA-N 1 0 375.520 3.970 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(Cc4ccccc4)s3)CC2)cc1 ZINC000302082878 855813978 /nfs/dbraw/zinc/81/39/78/855813978.db2.gz MEVOSWWSWPCOLI-UHFFFAOYSA-N 1 0 389.528 3.713 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3cc(C(C)=O)ccc3C#N)cc2F)CC1 ZINC000302098787 855815405 /nfs/dbraw/zinc/81/54/05/855815405.db2.gz KIBLABCSWNVKOT-UHFFFAOYSA-N 1 0 380.467 3.654 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)cn2)cc1 ZINC000591276958 855880186 /nfs/dbraw/zinc/88/01/86/855880186.db2.gz FVDCCRFCJFLTNK-LJQANCHMSA-N 1 0 379.464 3.775 20 30 GHEDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000591278173 855881133 /nfs/dbraw/zinc/88/11/33/855881133.db2.gz VFRDMXNBBJFBAA-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000591309018 855903129 /nfs/dbraw/zinc/90/31/29/855903129.db2.gz YSEHVPVCFYRSDM-QGZVFWFLSA-N 1 0 388.443 3.828 20 30 GHEDRO Cc1sc2ncnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1C ZINC000198107722 855918306 /nfs/dbraw/zinc/91/83/06/855918306.db2.gz CKBLCMIKAHINBR-UHFFFAOYSA-N 1 0 377.517 3.892 20 30 GHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000520661955 855945334 /nfs/dbraw/zinc/94/53/34/855945334.db2.gz LQLJHDXJLBAISF-ZFMNYDKASA-N 1 0 395.551 3.628 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000108682600 855980034 /nfs/dbraw/zinc/98/00/34/855980034.db2.gz SJXDKWPPWJEAJC-WOIUINJBSA-N 1 0 385.552 3.836 20 30 GHEDRO C[C@H](C(=O)NCc1ccc(OCC#N)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000171775600 862756017 /nfs/dbraw/zinc/75/60/17/862756017.db2.gz IILHNLXEUFGPBC-LJQANCHMSA-N 1 0 391.515 3.548 20 30 GHEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905202588 856210720 /nfs/dbraw/zinc/21/07/20/856210720.db2.gz RRCJIVVPLDCIOL-KSSFIOAISA-N 1 0 384.442 3.501 20 30 GHEDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000554840765 856221487 /nfs/dbraw/zinc/22/14/87/856221487.db2.gz DSYNLMQLBHNGGN-KBPBESRZSA-N 1 0 391.393 3.985 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000591763738 856231642 /nfs/dbraw/zinc/23/16/42/856231642.db2.gz GMRBMNUFJDEXGH-YJBOKZPZSA-N 1 0 377.271 3.882 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000593882406 862773694 /nfs/dbraw/zinc/77/36/94/862773694.db2.gz FZWIOIHDUPNVMK-UHFFFAOYSA-N 1 0 377.488 3.695 20 30 GHEDRO C#CCN(C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000921746276 856270553 /nfs/dbraw/zinc/27/05/53/856270553.db2.gz YHKUEBRVXISSJK-KRWDZBQOSA-N 1 0 385.405 3.558 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)CNc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000591773282 856292445 /nfs/dbraw/zinc/29/24/45/856292445.db2.gz ILTTYGGRYHWHQN-QHCPKHFHSA-N 1 0 393.531 3.633 20 30 GHEDRO O=C(CC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)Nc1cc(F)cc(F)c1 ZINC000674498398 856351699 /nfs/dbraw/zinc/35/16/99/856351699.db2.gz YLJRYRALZMADSO-VXGBXAGGSA-N 1 0 390.274 3.966 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC3 ZINC000485330673 856371274 /nfs/dbraw/zinc/37/12/74/856371274.db2.gz LCTGXZLOWVVFDB-HOYKHHGWSA-N 1 0 398.510 3.991 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000109849758 856380274 /nfs/dbraw/zinc/38/02/74/856380274.db2.gz WPYAVBRXQHJNLZ-QGZVFWFLSA-N 1 0 395.528 3.822 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000520767318 856394678 /nfs/dbraw/zinc/39/46/78/856394678.db2.gz LOJUXTIRCQXCOP-GOSISDBHSA-N 1 0 390.409 3.785 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000624842028 856584342 /nfs/dbraw/zinc/58/43/42/856584342.db2.gz MTLKYEGBORTFBW-WIYYLYMNSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000485461834 856595432 /nfs/dbraw/zinc/59/54/32/856595432.db2.gz DDWDVRCYPLTZSB-OALUTQOASA-N 1 0 387.593 3.595 20 30 GHEDRO N#Cc1c(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cn2ccccc12 ZINC000507874393 856610992 /nfs/dbraw/zinc/61/09/92/856610992.db2.gz MTVMMLBJWWCPEC-UHFFFAOYSA-N 1 0 382.471 3.976 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nccnc2-c2nc3ccccc3s2)CC1 ZINC000592076661 856652928 /nfs/dbraw/zinc/65/29/28/856652928.db2.gz VNKUXJKNZZVWKS-UHFFFAOYSA-N 1 0 393.516 3.524 20 30 GHEDRO N#Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)ccc1F ZINC000592131060 856672325 /nfs/dbraw/zinc/67/23/25/856672325.db2.gz SKUUKGDEDIXOBA-WGSAOQKQSA-N 1 0 383.423 3.911 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CCC3)o2)c1 ZINC000592139279 856687363 /nfs/dbraw/zinc/68/73/63/856687363.db2.gz SOKNAELQGWRCDN-OAQYLSRUSA-N 1 0 388.471 3.771 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@@H]1SC ZINC000592172387 856698370 /nfs/dbraw/zinc/69/83/70/856698370.db2.gz FJZODIGLXUPIJU-PSLQGDIJSA-N 1 0 393.578 3.518 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001128809210 856755059 /nfs/dbraw/zinc/75/50/59/856755059.db2.gz TWVPPYGXJMGPPO-RUZDIDTESA-N 1 0 387.527 3.842 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](O)[C@@H]3CCc3ccccc3)o2)cc1 ZINC000592166193 856766208 /nfs/dbraw/zinc/76/62/08/856766208.db2.gz HYEPCDPMEUJXAR-SFTDATJTSA-N 1 0 388.471 3.566 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](O)[C@@H]3CCc3ccccc3)o2)c1 ZINC000592169037 856773440 /nfs/dbraw/zinc/77/34/40/856773440.db2.gz UVIQWHHHTUGSHA-SFTDATJTSA-N 1 0 388.471 3.566 20 30 GHEDRO Cn1cc(C[NH2+]CC[C@@H]2CSc3ccccc3O2)c(-c2ccc(C#N)cc2)n1 ZINC000592373001 856785738 /nfs/dbraw/zinc/78/57/38/856785738.db2.gz MVBWTWGSWQLHCE-LJQANCHMSA-N 1 0 390.512 3.992 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000173567963 856997429 /nfs/dbraw/zinc/99/74/29/856997429.db2.gz CCDSLZFLYKEHSH-LJQANCHMSA-N 1 0 391.515 3.941 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000173598818 857016806 /nfs/dbraw/zinc/01/68/06/857016806.db2.gz CPLDGSXZWKJBEB-NRFANRHFSA-N 1 0 391.515 3.941 20 30 GHEDRO CC(C)N(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592694660 857028985 /nfs/dbraw/zinc/02/89/85/857028985.db2.gz MWUIXHJMOLDPON-SFHVURJKSA-N 1 0 383.442 3.962 20 30 GHEDRO N#Cc1c(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cn2ccccc12 ZINC000064480576 857160025 /nfs/dbraw/zinc/16/00/25/857160025.db2.gz FIZJNAUWVBYANX-UHFFFAOYSA-N 1 0 392.890 3.812 20 30 GHEDRO C=CCC1(NC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CCOCC1 ZINC000665257541 857172642 /nfs/dbraw/zinc/17/26/42/857172642.db2.gz MLPOUKHOBSLHGS-OAHLLOKOSA-N 1 0 378.542 3.622 20 30 GHEDRO C[NH+]1CCN(CCOc2ccc(-c3cc(C#N)cc(C(F)(F)F)c3)cc2)CC1 ZINC000592985879 857175100 /nfs/dbraw/zinc/17/51/00/857175100.db2.gz DOZRPFOFFCHKBZ-UHFFFAOYSA-N 1 0 389.421 3.870 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c2)c1 ZINC000246102175 857234197 /nfs/dbraw/zinc/23/41/97/857234197.db2.gz JHPXXKRIZQSEHF-FGZHOGPDSA-N 1 0 380.513 3.844 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C ZINC000174357180 857263960 /nfs/dbraw/zinc/26/39/60/857263960.db2.gz YCIJWLKVUSDQCG-UHFFFAOYSA-N 1 0 386.540 3.620 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000593113114 857331099 /nfs/dbraw/zinc/33/10/99/857331099.db2.gz XDVQMEIHQMPNKX-SFHVURJKSA-N 1 0 390.405 3.790 20 30 GHEDRO CCN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000174660650 857357625 /nfs/dbraw/zinc/35/76/25/857357625.db2.gz ZTJPTQBVAWWEHN-HXUWFJFHSA-N 1 0 390.531 3.680 20 30 GHEDRO C[C@H]1CCN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000174804843 857387037 /nfs/dbraw/zinc/38/70/37/857387037.db2.gz ACONMXIQIZSBLE-KRWDZBQOSA-N 1 0 382.533 3.545 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000174907538 857405985 /nfs/dbraw/zinc/40/59/85/857405985.db2.gz FOGQQZRWROZTCP-OAQYLSRUSA-N 1 0 397.906 3.912 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000113335982 857452496 /nfs/dbraw/zinc/45/24/96/857452496.db2.gz BHCXPUAHTBMDEI-UHFFFAOYSA-N 1 0 375.432 3.704 20 30 GHEDRO C[C@H]1Cc2ccccc2CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593512782 857592307 /nfs/dbraw/zinc/59/23/07/857592307.db2.gz SOCOXYMIVIQBKR-SFHVURJKSA-N 1 0 388.515 3.679 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)([NH+](C)C)C1 ZINC000521113929 857634020 /nfs/dbraw/zinc/63/40/20/857634020.db2.gz IYGHKGRYWRVUPO-SBUREZEXSA-N 1 0 392.503 3.986 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(-c2ccncc2)n1 ZINC000593656567 857649219 /nfs/dbraw/zinc/64/92/19/857649219.db2.gz GJZPLAPGMHVUJD-UHFFFAOYSA-N 1 0 393.388 3.725 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000592523500 857670457 /nfs/dbraw/zinc/67/04/57/857670457.db2.gz MUCRYCCJZSMPNS-SFHVURJKSA-N 1 0 387.405 3.715 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C#N)c1C ZINC000113933889 857796381 /nfs/dbraw/zinc/79/63/81/857796381.db2.gz WWFYVKRTEQAEJL-VDZJLULYSA-N 1 0 386.540 3.682 20 30 GHEDRO N#CC1(NC(=O)C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)CCCCC1 ZINC000594036033 857848733 /nfs/dbraw/zinc/84/87/33/857848733.db2.gz ZUZKMPDORSVEEI-UHFFFAOYSA-N 1 0 381.398 3.507 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCCCO1 ZINC000594042680 857850963 /nfs/dbraw/zinc/85/09/63/857850963.db2.gz NATPATOVKQADIJ-SOLBZPMBSA-N 1 0 375.538 3.957 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000065930344 857882789 /nfs/dbraw/zinc/88/27/89/857882789.db2.gz BLVFSIANETYKBF-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO C=CCN1C(=O)N(CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000761049936 858004025 /nfs/dbraw/zinc/00/40/25/858004025.db2.gz JPGJTMDAVZRLNA-KCZVDYSFSA-N 1 0 397.563 3.806 20 30 GHEDRO N#C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(Cl)c1Cl ZINC000594286045 858028632 /nfs/dbraw/zinc/02/86/32/858028632.db2.gz JSQMQFYVGMFBCP-BBRMVZONSA-N 1 0 398.359 3.892 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000157942593 858061606 /nfs/dbraw/zinc/06/16/06/858061606.db2.gz YXBKXICNKXGZEF-QFBILLFUSA-N 1 0 398.466 3.722 20 30 GHEDRO Cc1nc(SCC(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C#N)c(C)c1C ZINC000521569642 858123847 /nfs/dbraw/zinc/12/38/47/858123847.db2.gz VINDVLLRDBOUMD-UHFFFAOYSA-N 1 0 396.560 3.561 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114642599 858146600 /nfs/dbraw/zinc/14/66/00/858146600.db2.gz WJGLKYMRGZBTNA-OAQYLSRUSA-N 1 0 379.529 3.572 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3c(F)cccc3F)CCCC2)CC1 ZINC000521601158 858147182 /nfs/dbraw/zinc/14/71/82/858147182.db2.gz TYANLQOOCPVFLX-UHFFFAOYSA-N 1 0 377.479 3.726 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000594429481 858174258 /nfs/dbraw/zinc/17/42/58/858174258.db2.gz QGIHCSJJFPULBQ-GFCCVEGCSA-N 1 0 378.192 3.818 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000594440072 858178373 /nfs/dbraw/zinc/17/83/73/858178373.db2.gz ZEADUQBKWVKNJS-MRXNPFEDSA-N 1 0 383.402 3.858 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000594456524 858181340 /nfs/dbraw/zinc/18/13/40/858181340.db2.gz PPSBHTWECFPAEZ-ROUUACIJSA-N 1 0 399.470 3.731 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000594426518 858185373 /nfs/dbraw/zinc/18/53/73/858185373.db2.gz DPHNDASRQYSEMD-CQSZACIVSA-N 1 0 380.279 3.588 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000521642720 858190530 /nfs/dbraw/zinc/19/05/30/858190530.db2.gz PFNUBJIXZUUJSY-OAQYLSRUSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cn2)C[C@@H](C)O1 ZINC000594494886 858191430 /nfs/dbraw/zinc/19/14/30/858191430.db2.gz KEZIAVLCMYNXTR-QZTJIDSGSA-N 1 0 378.520 3.786 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000594501150 858193693 /nfs/dbraw/zinc/19/36/93/858193693.db2.gz DZHOOOTXAMLDGL-HSZRJFAPSA-N 1 0 377.532 3.868 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000521658049 858212237 /nfs/dbraw/zinc/21/22/37/858212237.db2.gz PFFOAORZDBETAG-OAHLLOKOSA-N 1 0 392.341 3.655 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000594923221 858305697 /nfs/dbraw/zinc/30/56/97/858305697.db2.gz FAYBRJYQXGEZQA-NRFANRHFSA-N 1 0 391.515 3.950 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CCCO3)cc2)CC1 ZINC000594940176 858340807 /nfs/dbraw/zinc/34/08/07/858340807.db2.gz WPVGCPIFFWYTNM-HSZRJFAPSA-N 1 0 375.516 3.622 20 30 GHEDRO COc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1OC(F)F ZINC000594983931 858357872 /nfs/dbraw/zinc/35/78/72/858357872.db2.gz JXGYPPBLHNBHPK-UHFFFAOYSA-N 1 0 388.414 3.964 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cnc(-c4ccccn4)s3)CCOCC2)c1 ZINC000594984188 858358120 /nfs/dbraw/zinc/35/81/20/858358120.db2.gz OCPPBTIMFBGUKI-UHFFFAOYSA-N 1 0 376.485 3.872 20 30 GHEDRO C[C@@]1(C#N)CCN(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000595452370 858536203 /nfs/dbraw/zinc/53/62/03/858536203.db2.gz JVJCDQXNQZOUIZ-IBGZPJMESA-N 1 0 394.441 3.615 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000595469919 858540261 /nfs/dbraw/zinc/54/02/61/858540261.db2.gz JTKJIDYZFXIVLM-HSZRJFAPSA-N 1 0 375.516 3.912 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)NC1(C#N)CCC1 ZINC000575078747 858576412 /nfs/dbraw/zinc/57/64/12/858576412.db2.gz CNWPWYDCHSEKGM-IAOVAPTHSA-N 1 0 379.426 3.882 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000046890667 858611594 /nfs/dbraw/zinc/61/15/94/858611594.db2.gz CYALAZJSCUWUFJ-QFIPXVFZSA-N 1 0 394.519 3.791 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1OC ZINC000595639046 858625977 /nfs/dbraw/zinc/62/59/77/858625977.db2.gz FSAGUAMNUSRNOT-INIZCTEOSA-N 1 0 395.503 3.668 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3ccc(Cl)cc3)CCOCC2)c1 ZINC000595770314 858665020 /nfs/dbraw/zinc/66/50/20/858665020.db2.gz YEOWPTDNGGNIEO-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1C ZINC000595792429 858690470 /nfs/dbraw/zinc/69/04/70/858690470.db2.gz ZVGQSNSZLQARMZ-RBBKRZOGSA-N 1 0 383.536 3.831 20 30 GHEDRO N#CC(CC[N@H+]1CC[C@@H](CN2CCCC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000595827239 858700470 /nfs/dbraw/zinc/70/04/70/858700470.db2.gz AVLKEICVUWTFGU-OAQYLSRUSA-N 1 0 387.527 3.831 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773475 858702654 /nfs/dbraw/zinc/70/26/54/858702654.db2.gz IGORHDGHJLRSIP-UHFFFAOYSA-N 1 0 376.504 3.612 20 30 GHEDRO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595866898 858719081 /nfs/dbraw/zinc/71/90/81/858719081.db2.gz NCLIGRMJEXMPKB-AUUYWEPGSA-N 1 0 381.442 3.767 20 30 GHEDRO N#Cc1cc2cccnc2nc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000596177379 858815175 /nfs/dbraw/zinc/81/51/75/858815175.db2.gz DQBPYHAUXNNOOS-UHFFFAOYSA-N 1 0 383.499 3.994 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328785376 858820347 /nfs/dbraw/zinc/82/03/47/858820347.db2.gz KMHJJTYKWQTOQA-KVPRVUCYSA-N 1 0 387.307 3.832 20 30 GHEDRO C=C(C)CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000509261081 858867317 /nfs/dbraw/zinc/86/73/17/858867317.db2.gz AOXUMZFYFVKCDN-UHFFFAOYSA-N 1 0 389.849 3.881 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC[C@@H]2OCCc3ccccc32)c(-c2ccncc2)n1 ZINC000922958348 858894694 /nfs/dbraw/zinc/89/46/94/858894694.db2.gz RDWBJQNQBPAWNL-QFIPXVFZSA-N 1 0 387.487 3.652 20 30 GHEDRO CC(C)CCn1nccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593184113 858925804 /nfs/dbraw/zinc/92/58/04/858925804.db2.gz WBDOUBUDWVJPFU-UHFFFAOYSA-N 1 0 394.523 3.587 20 30 GHEDRO CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000596606022 858963085 /nfs/dbraw/zinc/96/30/85/858963085.db2.gz SMYPPWQNMFIOTO-UHFFFAOYSA-N 1 0 384.455 3.550 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000596658181 858976868 /nfs/dbraw/zinc/97/68/68/858976868.db2.gz REDBVQDUPQYKAX-KRWDZBQOSA-N 1 0 379.464 3.740 20 30 GHEDRO COc1ccc2cc(C[N@H+](C)C[C@@H](O)COc3ccc(CC#N)cc3)ccc2c1 ZINC000025233896 858995710 /nfs/dbraw/zinc/99/57/10/858995710.db2.gz MYEAIQXKEWULGH-JOCHJYFZSA-N 1 0 390.483 3.786 20 30 GHEDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000625854228 859027055 /nfs/dbraw/zinc/02/70/55/859027055.db2.gz CUMOVJDZLIEWCE-WCBMZHEXSA-N 1 0 387.299 3.836 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000593227908 859061770 /nfs/dbraw/zinc/06/17/70/859061770.db2.gz VVSIBXXQEASRQU-OWCLPIDISA-N 1 0 382.895 3.730 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)NC(C)(C)c3cccc(C#N)c3)c2)CC1 ZINC000596842759 859090234 /nfs/dbraw/zinc/09/02/34/859090234.db2.gz GGEZPVLZCMMHNZ-UHFFFAOYSA-N 1 0 391.519 3.757 20 30 GHEDRO C#Cc1ccc(C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000923166364 859093779 /nfs/dbraw/zinc/09/37/79/859093779.db2.gz NRNDXTDEJUWMQO-HSZRJFAPSA-N 1 0 388.511 3.612 20 30 GHEDRO COc1ccc(C[C@H](C)[NH+]2CCC(Oc3ccccc3C#N)CC2)c([N+](=O)[O-])c1 ZINC001170353529 881389246 /nfs/dbraw/zinc/38/92/46/881389246.db2.gz ZCVLDFMPLJCLJC-INIZCTEOSA-N 1 0 395.459 3.949 20 30 GHEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000596978188 859207314 /nfs/dbraw/zinc/20/73/14/859207314.db2.gz VVYNMBZKSNLEDE-UHFFFAOYSA-N 1 0 375.516 3.958 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429383829 859209164 /nfs/dbraw/zinc/20/91/64/859209164.db2.gz RVTCKPXXRYHGEB-FZKQIMNGSA-N 1 0 392.341 3.670 20 30 GHEDRO C=CCOCCC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483232463 859244260 /nfs/dbraw/zinc/24/42/60/859244260.db2.gz JWKASKGKZUVPHK-CQSZACIVSA-N 1 0 382.220 3.684 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000597156214 859320545 /nfs/dbraw/zinc/32/05/45/859320545.db2.gz LYJIJACMFHYQFG-UHFFFAOYSA-N 1 0 392.809 3.938 20 30 GHEDRO COCCN(Cc1coc(-c2ccc(OC)cc2)n1)Cc1ccc(C#N)cc1 ZINC000069072086 859328553 /nfs/dbraw/zinc/32/85/53/859328553.db2.gz XZQBSGOUKZUOSA-UHFFFAOYSA-N 1 0 377.444 3.870 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191619423 859382485 /nfs/dbraw/zinc/38/24/85/859382485.db2.gz UHBRDFSWLOBTJA-UHFFFAOYSA-N 1 0 376.504 3.825 20 30 GHEDRO Cc1ccccc1C[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593315356 859384385 /nfs/dbraw/zinc/38/43/85/859384385.db2.gz DSGGXUOCEDQICC-LJQANCHMSA-N 1 0 390.531 3.762 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000125882275 859422505 /nfs/dbraw/zinc/42/25/05/859422505.db2.gz GRZWLACTEFRVPM-UHFFFAOYSA-N 1 0 382.467 3.836 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2(CN(C)C)CCC2)cc1OCC ZINC000466419970 859438584 /nfs/dbraw/zinc/43/85/84/859438584.db2.gz UKKXPXHHAAYONZ-UHFFFAOYSA-N 1 0 397.357 3.987 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2OCCc3cn(CC4CC4)nc32)CC1 ZINC001170359767 881422055 /nfs/dbraw/zinc/42/20/55/881422055.db2.gz FGHHGGKZLWFHTN-MHIUNMELSA-N 1 0 390.531 3.901 20 30 GHEDRO CS(=O)(=O)c1ccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170360179 881424347 /nfs/dbraw/zinc/42/43/47/881424347.db2.gz PWGXRYRQGNQTDU-UHFFFAOYSA-N 1 0 382.529 3.626 20 30 GHEDRO Cc1cccc([C@@H](C)CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593352224 859533953 /nfs/dbraw/zinc/53/39/53/859533953.db2.gz DVYVJAXLBCYFMG-IBGZPJMESA-N 1 0 390.531 3.934 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3c(F)cccc3Cl)CC2)c1 ZINC000593352718 859535801 /nfs/dbraw/zinc/53/58/01/859535801.db2.gz LOWWNFBTBUMNOG-UHFFFAOYSA-N 1 0 385.870 3.674 20 30 GHEDRO COc1ccc(Cl)cc1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593353094 859537810 /nfs/dbraw/zinc/53/78/10/859537810.db2.gz NWTURUVCRJBVHW-UHFFFAOYSA-N 1 0 397.906 3.544 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3coc4ccccc34)CC2)c1 ZINC000593348692 859539018 /nfs/dbraw/zinc/53/90/18/859539018.db2.gz NFNALKRWXHONCU-UHFFFAOYSA-N 1 0 388.471 3.768 20 30 GHEDRO Cc1cccc2c(CC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c[nH]c21 ZINC000593353290 859546887 /nfs/dbraw/zinc/54/68/87/859546887.db2.gz JGUMGLLZRMQENY-UHFFFAOYSA-N 1 0 386.499 3.671 20 30 GHEDRO CN1CC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440225 859552039 /nfs/dbraw/zinc/55/20/39/859552039.db2.gz DWGRYEVRSHXWLG-QZTJIDSGSA-N 1 0 393.796 3.804 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000611140030 859623167 /nfs/dbraw/zinc/62/31/67/859623167.db2.gz KMWQJRUAVZSVEF-UHFFFAOYSA-N 1 0 398.532 3.753 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000601906499 859624261 /nfs/dbraw/zinc/62/42/61/859624261.db2.gz ZAHWDIPKFXYAJE-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)N2Cc3cccc(C#N)c3C2)C[N@@H+]1Cc1ccccc1 ZINC000593383951 859694710 /nfs/dbraw/zinc/69/47/10/859694710.db2.gz CGUGTGXFRSHMEQ-QUCCMNQESA-N 1 0 388.515 3.884 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](C[C@@H]3CCOC3)C1)CCC2 ZINC000611350247 859714003 /nfs/dbraw/zinc/71/40/03/859714003.db2.gz FZDMFEJRLQLTQN-HOTGVXAUSA-N 1 0 387.549 3.576 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611351009 859714586 /nfs/dbraw/zinc/71/45/86/859714586.db2.gz XVIHYJKQLJVGGI-OWCLPIDISA-N 1 0 375.900 3.677 20 30 GHEDRO Cc1cccc([C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)c1 ZINC000611390613 859734354 /nfs/dbraw/zinc/73/43/54/859734354.db2.gz LAHXERUJLFMMEP-DNQXCXABSA-N 1 0 375.516 3.907 20 30 GHEDRO C[C@]1(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000593402604 859741747 /nfs/dbraw/zinc/74/17/47/859741747.db2.gz KEHNFQLGQGTYAO-NRFANRHFSA-N 1 0 382.895 3.675 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)nc2)cc1)C[C@@H]1CCCCO1 ZINC000611407212 859744404 /nfs/dbraw/zinc/74/44/04/859744404.db2.gz IRSHTOGZNGYHDH-QFIPXVFZSA-N 1 0 392.503 3.985 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1c(C)nn(C)c1C ZINC000543455828 859769057 /nfs/dbraw/zinc/76/90/57/859769057.db2.gz DFSDGYBPZOTGHQ-FQEVSTJZSA-N 1 0 381.524 3.641 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](F)C2)c1C#N ZINC000611501696 859787126 /nfs/dbraw/zinc/78/71/26/859787126.db2.gz HFHWOMKWGHGIDK-LIRRHRJNSA-N 1 0 386.471 3.626 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCC[C@@H]3C3CC3)CC2)c1 ZINC000593413454 859788930 /nfs/dbraw/zinc/78/89/30/859788930.db2.gz BDFUWEJXSZHZBH-RBBKRZOGSA-N 1 0 380.536 3.648 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCC[C@H]3C3CC3)CC2)c1 ZINC000593413452 859789337 /nfs/dbraw/zinc/78/93/37/859789337.db2.gz BDFUWEJXSZHZBH-IRLDBZIGSA-N 1 0 380.536 3.648 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)C(C)(C)C ZINC001168764626 859822316 /nfs/dbraw/zinc/82/23/16/859822316.db2.gz AXSQRCQERJOMHH-GOSISDBHSA-N 1 0 393.491 3.507 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)C(C)(C)C ZINC001168764628 859822351 /nfs/dbraw/zinc/82/23/51/859822351.db2.gz AXSQRCQERJOMHH-SFHVURJKSA-N 1 0 393.491 3.507 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000474334762 859879407 /nfs/dbraw/zinc/87/94/07/859879407.db2.gz VGJFIVBJHHCSAO-UHFFFAOYSA-N 1 0 399.457 3.510 20 30 GHEDRO C[NH+]1CCC(n2cc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cn2)CC1 ZINC000602317335 859949365 /nfs/dbraw/zinc/94/93/65/859949365.db2.gz FUSNRWKVCNMEKB-HXUWFJFHSA-N 1 0 380.496 3.706 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091885444 859951734 /nfs/dbraw/zinc/95/17/34/859951734.db2.gz STRRVOOJHVXMSH-UHFFFAOYSA-N 1 0 381.451 3.707 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000602322008 859954075 /nfs/dbraw/zinc/95/40/75/859954075.db2.gz YGMOFUPXJDONHX-NRFANRHFSA-N 1 0 398.551 3.708 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602375498 859992114 /nfs/dbraw/zinc/99/21/14/859992114.db2.gz QBBUOVWNZKJWDF-INIZCTEOSA-N 1 0 383.323 3.931 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)n1 ZINC000602457308 860039477 /nfs/dbraw/zinc/03/94/77/860039477.db2.gz FNSGANYNYQCSHY-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO C=CCn1c(SC[C@@H]2CC[N@@H+](C)C2)nc2sc3c(c2c1=O)CCCC3 ZINC000484482281 860045170 /nfs/dbraw/zinc/04/51/70/860045170.db2.gz YWVYKHIPUKCLOL-CYBMUJFWSA-N 1 0 375.563 3.567 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(Cc4ccc(F)cc4Cl)C3)n2c1 ZINC000123718944 860053631 /nfs/dbraw/zinc/05/36/31/860053631.db2.gz BGRFZWJFINRZRG-GOSISDBHSA-N 1 0 397.885 3.753 20 30 GHEDRO CCCO[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593512075 860078544 /nfs/dbraw/zinc/07/85/44/860078544.db2.gz RZWSDCUHZDKRRK-QFIPXVFZSA-N 1 0 398.551 3.513 20 30 GHEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513171 860083563 /nfs/dbraw/zinc/08/35/63/860083563.db2.gz YFXBOSVKPHCZEF-AGHHOFFYSA-N 1 0 380.536 3.885 20 30 GHEDRO CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC(F)(F)CC1 ZINC000593514787 860086146 /nfs/dbraw/zinc/08/61/46/860086146.db2.gz CVLWYRZBSNNSKD-UHFFFAOYSA-N 1 0 390.478 3.742 20 30 GHEDRO COc1cc(Br)c(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602545149 860091008 /nfs/dbraw/zinc/09/10/08/860091008.db2.gz UJHAYMSVWIOSMF-CYBMUJFWSA-N 1 0 397.313 3.655 20 30 GHEDRO Cc1c(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)sc2nc(C)nc(C)c12 ZINC000727471515 860094530 /nfs/dbraw/zinc/09/45/30/860094530.db2.gz FZGRORSUPJKDPS-UHFFFAOYSA-N 1 0 392.532 3.642 20 30 GHEDRO CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC(OC(C)(C)C)C1 ZINC000593515091 860095939 /nfs/dbraw/zinc/09/59/39/860095939.db2.gz HNHFAMQDEGXRCG-UHFFFAOYSA-N 1 0 398.551 3.510 20 30 GHEDRO C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC12CCC2 ZINC000593514130 860101441 /nfs/dbraw/zinc/10/14/41/860101441.db2.gz QJNOECWJEATOOF-SFHVURJKSA-N 1 0 380.536 3.744 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]C3CCC(C#N)CC3)c2)cc1 ZINC000602554027 860107317 /nfs/dbraw/zinc/10/73/17/860107317.db2.gz YONYFEULOZNQHL-UHFFFAOYSA-N 1 0 393.487 3.998 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000783530963 860166876 /nfs/dbraw/zinc/16/68/76/860166876.db2.gz FQDPCQJCBVOCMQ-INIZCTEOSA-N 1 0 376.547 3.686 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000598266426 860196709 /nfs/dbraw/zinc/19/67/09/860196709.db2.gz XUWQTAKCCAKNFI-QGZVFWFLSA-N 1 0 378.476 3.596 20 30 GHEDRO CCC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccc(C#N)cc1 ZINC000124117293 860236110 /nfs/dbraw/zinc/23/61/10/860236110.db2.gz YRVLXCFVKYXWLE-UHFFFAOYSA-N 1 0 386.499 3.836 20 30 GHEDRO CCn1nc(C)c(CN(C)Cc2cn(CCC#N)nc2-c2ccccc2)c1C ZINC000602729588 860238721 /nfs/dbraw/zinc/23/87/21/860238721.db2.gz WWMGPWHEEJUGDI-UHFFFAOYSA-N 1 0 376.508 3.929 20 30 GHEDRO N#CCC1(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000602787186 860269824 /nfs/dbraw/zinc/26/98/24/860269824.db2.gz IQEGHOUQXXPKMH-UHFFFAOYSA-N 1 0 376.298 3.793 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccnc1 ZINC000922604313 860305143 /nfs/dbraw/zinc/30/51/43/860305143.db2.gz YOSLEUNVLZKFGG-NHCUHLMSSA-N 1 0 379.508 3.809 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000904277209 860305919 /nfs/dbraw/zinc/30/59/19/860305919.db2.gz HZVIGBBITGKKGH-YLJYHZDGSA-N 1 0 382.851 3.589 20 30 GHEDRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000598420116 860312780 /nfs/dbraw/zinc/31/27/80/860312780.db2.gz KUDVKFLCVSXHQV-CUYJMHBOSA-N 1 0 387.527 3.973 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)nc1 ZINC000602912594 860346527 /nfs/dbraw/zinc/34/65/27/860346527.db2.gz OAIJGJGHMSCFPH-UHFFFAOYSA-N 1 0 379.489 3.877 20 30 GHEDRO N#Cc1ccccc1NC1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000602902976 860354711 /nfs/dbraw/zinc/35/47/11/860354711.db2.gz YCZWAUPRTUZZIE-OAQYLSRUSA-N 1 0 392.528 3.938 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000598536841 860380569 /nfs/dbraw/zinc/38/05/69/860380569.db2.gz ZLATVIYDNQFTOU-KRWDZBQOSA-N 1 0 397.544 3.797 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(NC(=O)c3ccncc3)CC2)CC1 ZINC001170398095 881531660 /nfs/dbraw/zinc/53/16/60/881531660.db2.gz LPNWYPGJHXWDIQ-UHFFFAOYSA-N 1 0 388.515 3.680 20 30 GHEDRO COc1ccnc(OC2CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)n1 ZINC001170398640 881532731 /nfs/dbraw/zinc/53/27/31/881532731.db2.gz RLAQTYINHDATPJ-UHFFFAOYSA-N 1 0 392.503 3.733 20 30 GHEDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000921554579 860423031 /nfs/dbraw/zinc/42/30/31/860423031.db2.gz CJYCDZCERKKPPY-UHFFFAOYSA-N 1 0 392.341 3.838 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccccc2)cc1OC ZINC000598603652 860430959 /nfs/dbraw/zinc/43/09/59/860430959.db2.gz XYPROZANJWXLRB-VQTJNVASSA-N 1 0 382.504 3.878 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000598603773 860431060 /nfs/dbraw/zinc/43/10/60/860431060.db2.gz KANXOYWQPKEORB-ICSRJNTNSA-N 1 0 380.467 3.807 20 30 GHEDRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590835 860435923 /nfs/dbraw/zinc/43/59/23/860435923.db2.gz QUOCXKUFVRSBTM-ZBFHGGJFSA-N 1 0 381.314 3.895 20 30 GHEDRO Cc1cc(C[N@H+](CC(C)C)C[C@@H](O)CC(C)(C)C#N)nc(N2CCCCC2)n1 ZINC000598598907 860440210 /nfs/dbraw/zinc/44/02/10/860440210.db2.gz GLHLBDITNVFGTR-FQEVSTJZSA-N 1 0 387.572 3.534 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000598600221 860441048 /nfs/dbraw/zinc/44/10/48/860441048.db2.gz IOZISTQBKIMMAS-UZLBHIALSA-N 1 0 397.494 3.958 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)C(F)(F)F)c1 ZINC000904536381 860500616 /nfs/dbraw/zinc/50/06/16/860500616.db2.gz CPUMVHDHPAOZHN-DLBZAZTESA-N 1 0 394.441 3.855 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)cc2)cs1 ZINC000552497440 860539170 /nfs/dbraw/zinc/53/91/70/860539170.db2.gz LSCMVAAXIXFFPP-IBGZPJMESA-N 1 0 379.485 3.520 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282368796 860546721 /nfs/dbraw/zinc/54/67/21/860546721.db2.gz UFXULKXFHIYWJL-UHFFFAOYSA-N 1 0 376.508 3.646 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000921597262 860548338 /nfs/dbraw/zinc/54/83/38/860548338.db2.gz VRWHMJACWDAYII-RTBURBONSA-N 1 0 391.515 3.714 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000552682104 860554606 /nfs/dbraw/zinc/55/46/06/860554606.db2.gz YIGRPAQMQVFCFW-PGRDOPGGSA-N 1 0 389.499 3.836 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000138959282 860566842 /nfs/dbraw/zinc/56/68/42/860566842.db2.gz YBDWVMMMNJSUSW-KRWDZBQOSA-N 1 0 395.528 3.822 20 30 GHEDRO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)CC#N)C(C)(C)[NH2+]C(C)(C)C2 ZINC000598797807 860576164 /nfs/dbraw/zinc/57/61/64/860576164.db2.gz RDPKCUKDHQVIMG-NSHDSACASA-N 1 0 377.510 3.572 20 30 GHEDRO CC(C)([C@H](NC(=O)c1cc(C#N)ccn1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000598827757 860605297 /nfs/dbraw/zinc/60/52/97/860605297.db2.gz LJYHGKPTRDKQHY-LJQANCHMSA-N 1 0 384.430 3.577 20 30 GHEDRO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120457963 881561468 /nfs/dbraw/zinc/56/14/68/881561468.db2.gz CSDSFYPNJJGRNV-UHFFFAOYSA-N 1 0 394.541 3.531 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790692 860701818 /nfs/dbraw/zinc/70/18/18/860701818.db2.gz DSZSAQBXUYYPPL-IBGZPJMESA-N 1 0 378.394 3.909 20 30 GHEDRO OC1(c2ccccc2)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000185499762 860844326 /nfs/dbraw/zinc/84/43/26/860844326.db2.gz BLALOYYSRQIUFI-UHFFFAOYSA-N 1 0 375.390 3.920 20 30 GHEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509082230 860896437 /nfs/dbraw/zinc/89/64/37/860896437.db2.gz VPXHSRYOICJCSD-OAHLLOKOSA-N 1 0 392.341 3.563 20 30 GHEDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701528 860924221 /nfs/dbraw/zinc/92/42/21/860924221.db2.gz DVTOVXJAYRRDKK-IBGZPJMESA-N 1 0 390.531 3.554 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593702226 860928044 /nfs/dbraw/zinc/92/80/44/860928044.db2.gz JZJLVHCYVXUVHS-KRWDZBQOSA-N 1 0 376.504 3.832 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000329005144 860943240 /nfs/dbraw/zinc/94/32/40/860943240.db2.gz XFKYGYYLRANHFU-IXDOHACOSA-N 1 0 389.515 3.990 20 30 GHEDRO C[C@@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000593709215 860966574 /nfs/dbraw/zinc/96/65/74/860966574.db2.gz XGUAFDGXOFXWOP-QGZVFWFLSA-N 1 0 376.504 3.975 20 30 GHEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000329062085 860984987 /nfs/dbraw/zinc/98/49/87/860984987.db2.gz ZLQTZMAGNXPLFM-IBGZPJMESA-N 1 0 393.597 3.689 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1OC ZINC000623395257 860992887 /nfs/dbraw/zinc/99/28/87/860992887.db2.gz DNOPJNSMROKXQW-GJZGRUSLSA-N 1 0 380.916 3.793 20 30 GHEDRO C[C@]1(C#N)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC000600106798 860999514 /nfs/dbraw/zinc/99/95/14/860999514.db2.gz HXUPRMMERCHDAR-QLBJFCOMSA-N 1 0 387.527 3.838 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C(C)(C)C)cc1 ZINC000599309498 861028765 /nfs/dbraw/zinc/02/87/65/861028765.db2.gz GRRNDXPHJSLVTC-FQEVSTJZSA-N 1 0 386.536 3.923 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000603686042 861038981 /nfs/dbraw/zinc/03/89/81/861038981.db2.gz RLDFTYJZVWANNY-OAQYLSRUSA-N 1 0 379.529 3.572 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C3CC(OCc4ccccc4)C3)CC2)c1 ZINC000593723791 861039223 /nfs/dbraw/zinc/03/92/23/861039223.db2.gz ZFCOPHJDRWDJAL-UHFFFAOYSA-N 1 0 375.516 3.860 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)CC1 ZINC000730380547 861068566 /nfs/dbraw/zinc/06/85/66/861068566.db2.gz HVEIQHBRRGRFQW-SFHVURJKSA-N 1 0 398.551 3.782 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C)c(C#N)c3)CCCC2)cc1OC ZINC000599343455 861077112 /nfs/dbraw/zinc/07/71/12/861077112.db2.gz WCKDWORLLYQEEA-UHFFFAOYSA-N 1 0 393.487 3.925 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1OCc1ccccc1 ZINC000599349056 861087348 /nfs/dbraw/zinc/08/73/48/861087348.db2.gz KGQNZWMUPVDGAL-TZIWHRDSSA-N 1 0 394.515 3.988 20 30 GHEDRO CCN1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329169258 861093007 /nfs/dbraw/zinc/09/30/07/861093007.db2.gz JNLFUUWEGCWMMY-HRCADAONSA-N 1 0 382.867 3.528 20 30 GHEDRO CC(C)c1ccc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000603746842 861119907 /nfs/dbraw/zinc/11/99/07/861119907.db2.gz ASUAJBZDXWFFAS-UHFFFAOYSA-N 1 0 392.547 3.998 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000623478594 861122630 /nfs/dbraw/zinc/12/26/30/861122630.db2.gz RBBYHHFOLBBDHU-KRWDZBQOSA-N 1 0 379.859 3.746 20 30 GHEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599440559 861188228 /nfs/dbraw/zinc/18/82/28/861188228.db2.gz VNFUWPVVDZDBIS-SFHVURJKSA-N 1 0 384.442 3.641 20 30 GHEDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000182045897 863101717 /nfs/dbraw/zinc/10/17/17/863101717.db2.gz BIBYSPRVPQLDTM-UHFFFAOYSA-N 1 0 376.508 3.537 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000733774463 863157808 /nfs/dbraw/zinc/15/78/08/863157808.db2.gz GMOSUUYWICBFJB-QFIPXVFZSA-N 1 0 391.515 3.896 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000733848045 863200984 /nfs/dbraw/zinc/20/09/84/863200984.db2.gz KNJQXNQFYXXORF-PNYFIKQUSA-N 1 0 386.540 3.533 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)Nc1ccn(CCC#N)n1)C1CCCCC1 ZINC000173350215 881659152 /nfs/dbraw/zinc/65/91/52/881659152.db2.gz YADNQXMZVLGATQ-UHFFFAOYSA-N 1 0 394.523 3.883 20 30 GHEDRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000281936300 863523572 /nfs/dbraw/zinc/52/35/72/863523572.db2.gz IMKMLMHBKFSRHI-KRWDZBQOSA-N 1 0 377.479 3.744 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000444167757 863582747 /nfs/dbraw/zinc/58/27/47/863582747.db2.gz FZKGSDWVVKHFCJ-RTWAWAEBSA-N 1 0 384.568 3.745 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000593985233 863631807 /nfs/dbraw/zinc/63/18/07/863631807.db2.gz VPXJWKDEBLHOTB-VQTJNVASSA-N 1 0 375.516 3.860 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2cccn2C)c(OC)c1 ZINC000175119454 863696560 /nfs/dbraw/zinc/69/65/60/863696560.db2.gz PYXBKRFUPRUXST-FPOVZHCZSA-N 1 0 384.520 3.729 20 30 GHEDRO CC(C)Oc1cccc(CNC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594031524 863798891 /nfs/dbraw/zinc/79/88/91/863798891.db2.gz HRLODKFGZDHBHC-UHFFFAOYSA-N 1 0 377.488 3.631 20 30 GHEDRO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032650 863822153 /nfs/dbraw/zinc/82/21/53/863822153.db2.gz YXINQZUOHDFEPV-HNNXBMFYSA-N 1 0 383.442 3.553 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cn2)c1 ZINC000609206903 881703476 /nfs/dbraw/zinc/70/34/76/881703476.db2.gz XLSOXFXCWCXIOD-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000594050894 863910237 /nfs/dbraw/zinc/91/02/37/863910237.db2.gz KMLXTGHMHKRNGK-AWEZNQCLSA-N 1 0 382.533 3.989 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000609632582 863911627 /nfs/dbraw/zinc/91/16/27/863911627.db2.gz VPVAMMLNHFBYRF-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1C#N ZINC000554272998 864025293 /nfs/dbraw/zinc/02/52/93/864025293.db2.gz ABISXMPJFPCZLR-GHTZIAJQSA-N 1 0 397.567 3.589 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@]2(CC)CO)cc1OC ZINC000475118413 864218812 /nfs/dbraw/zinc/21/88/12/864218812.db2.gz KFZXDXIWLHXUKK-GOSISDBHSA-N 1 0 384.314 3.759 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000792839736 881746692 /nfs/dbraw/zinc/74/66/92/881746692.db2.gz BHMNMGVVRYHPJS-UHFFFAOYSA-N 1 0 376.504 3.882 20 30 GHEDRO N#CCOc1ccccc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000173028911 864278745 /nfs/dbraw/zinc/27/87/45/864278745.db2.gz BACUJYHQWQECHD-UHFFFAOYSA-N 1 0 397.906 3.981 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000734531562 864281292 /nfs/dbraw/zinc/28/12/92/864281292.db2.gz MJHWSYGDMFZSOF-MNLRITNHSA-N 1 0 398.551 3.773 20 30 GHEDRO CCOC(=O)C1(C#N)CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168056794 864316299 /nfs/dbraw/zinc/31/62/99/864316299.db2.gz IOXYEBLFXONGGT-RTBURBONSA-N 1 0 383.536 3.597 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)[NH+](C)C)cc1 ZINC000184341435 864360632 /nfs/dbraw/zinc/36/06/32/864360632.db2.gz REGPYTJALMOWMU-UZLBHIALSA-N 1 0 380.492 3.964 20 30 GHEDRO C=CC[C@@H](NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000734684590 864383528 /nfs/dbraw/zinc/38/35/28/864383528.db2.gz WEGYMFFLQYLKAF-FGZHOGPDSA-N 1 0 393.535 3.790 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734844144 864472306 /nfs/dbraw/zinc/47/23/06/864472306.db2.gz VWDPOGWXUFWYBP-VQTJNVASSA-N 1 0 377.406 3.713 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCn3ccc4ccccc43)CC2)c1 ZINC000586052987 864626635 /nfs/dbraw/zinc/62/66/35/864626635.db2.gz RWSPONJRDTVCSE-UHFFFAOYSA-N 1 0 386.499 3.684 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000184526927 864633784 /nfs/dbraw/zinc/63/37/84/864633784.db2.gz VNILUBNSMUNVSP-YJBOKZPZSA-N 1 0 379.485 3.772 20 30 GHEDRO C[NH+](C)C1CC(NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000622010920 864690152 /nfs/dbraw/zinc/69/01/52/864690152.db2.gz BSAVJBRUZRCQNZ-UHFFFAOYSA-N 1 0 386.311 3.798 20 30 GHEDRO CCSc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000494512904 881803725 /nfs/dbraw/zinc/80/37/25/881803725.db2.gz SWWXOXFMKSUCEJ-UHFFFAOYSA-N 1 0 396.560 3.944 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)C(C)C ZINC000480642114 865003870 /nfs/dbraw/zinc/00/38/70/865003870.db2.gz CCSLGCIJXLRDKW-WOJBJXKFSA-N 1 0 399.535 3.960 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171387096 865236068 /nfs/dbraw/zinc/23/60/68/865236068.db2.gz GHLZAEAYRKQGFZ-OAQYLSRUSA-N 1 0 396.579 3.746 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000747094227 881851641 /nfs/dbraw/zinc/85/16/41/881851641.db2.gz FKMBYWFPYZXLRM-LJQANCHMSA-N 1 0 393.409 3.758 20 30 GHEDRO CCc1ccc2c(C[N@H+](CCOC)Cc3ccc(C#N)cc3)cc(=O)oc2c1 ZINC000063754383 865276475 /nfs/dbraw/zinc/27/64/75/865276475.db2.gz ZSUFOUAJRIGGLL-UHFFFAOYSA-N 1 0 376.456 3.876 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Sc3ccccc3)c2)CC1 ZINC000608536705 865421038 /nfs/dbraw/zinc/42/10/38/865421038.db2.gz ONZAADBEOKFDHY-UHFFFAOYSA-N 1 0 395.528 3.543 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000121796074 881871499 /nfs/dbraw/zinc/87/14/99/881871499.db2.gz XDRHODKHLNQWHL-KRWDZBQOSA-N 1 0 386.540 3.683 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130385 865549000 /nfs/dbraw/zinc/54/90/00/865549000.db2.gz CBYRVDUSJYGWEW-UYAOXDASSA-N 1 0 381.923 3.629 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000301901188 865596885 /nfs/dbraw/zinc/59/68/85/865596885.db2.gz ZWAVHSRYZIFLOA-ROUUACIJSA-N 1 0 395.551 3.696 20 30 GHEDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000185170026 865637587 /nfs/dbraw/zinc/63/75/87/865637587.db2.gz FVPRXZPLHDJREC-KRWDZBQOSA-N 1 0 388.558 3.552 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000555241261 865774252 /nfs/dbraw/zinc/77/42/52/865774252.db2.gz KNQAIFTVVVSCEB-UHFFFAOYSA-N 1 0 389.588 3.728 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000555262751 865794152 /nfs/dbraw/zinc/79/41/52/865794152.db2.gz VFFCBOVOCQAYFJ-PZJWPPBQSA-N 1 0 377.536 3.974 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000739988958 865820732 /nfs/dbraw/zinc/82/07/32/865820732.db2.gz GQOJPVDJEJEBLR-QHCPKHFHSA-N 1 0 391.515 3.794 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C#N)cc1 ZINC000739996314 865822968 /nfs/dbraw/zinc/82/29/68/865822968.db2.gz TVPUDYIWFYCGHF-HSZRJFAPSA-N 1 0 391.515 3.938 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000174529186 865869900 /nfs/dbraw/zinc/86/99/00/865869900.db2.gz XSVOZKLNWLLHGN-UHFFFAOYSA-N 1 0 389.215 3.752 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594335447 865875005 /nfs/dbraw/zinc/87/50/05/865875005.db2.gz OKIURIQIZJFGFC-WZONZLPQSA-N 1 0 391.515 3.699 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000481161922 865898282 /nfs/dbraw/zinc/89/82/82/865898282.db2.gz BZPJKAMYGDAIHJ-RBBKRZOGSA-N 1 0 382.529 3.723 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2)s1 ZINC000740470499 865938744 /nfs/dbraw/zinc/93/87/44/865938744.db2.gz WIKVZBYXGGDLMP-MRXNPFEDSA-N 1 0 380.517 3.570 20 30 GHEDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000456004219 865978977 /nfs/dbraw/zinc/97/89/77/865978977.db2.gz AIUIDSJLOIDCDX-QFIPXVFZSA-N 1 0 390.531 3.502 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC001126597156 865990999 /nfs/dbraw/zinc/99/09/99/865990999.db2.gz KYQVXYSCRLSRDJ-XADARROHSA-N 1 0 384.520 3.654 20 30 GHEDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCCC2)c1 ZINC000237287930 866129777 /nfs/dbraw/zinc/12/97/77/866129777.db2.gz PMJAHMBGVQCYQJ-WZONZLPQSA-N 1 0 379.504 3.913 20 30 GHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Oc1cccc(Cl)c1 ZINC000262523699 866256317 /nfs/dbraw/zinc/25/63/17/866256317.db2.gz JPYGIJIWHUAVNG-ZDUSSCGKSA-N 1 0 375.856 3.695 20 30 GHEDRO N#Cc1ccc(OCCOC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000741331907 866414867 /nfs/dbraw/zinc/41/48/67/866414867.db2.gz VIEMEHMSBVYZHV-IBGZPJMESA-N 1 0 382.435 3.532 20 30 GHEDRO Cc1cc(F)ccc1C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000428760384 866480109 /nfs/dbraw/zinc/48/01/09/866480109.db2.gz RQLWZQHFKONKND-UHFFFAOYSA-N 1 0 386.492 3.659 20 30 GHEDRO Cc1cc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)oc2c(Br)c1 ZINC000183264995 866504666 /nfs/dbraw/zinc/50/46/66/866504666.db2.gz APMQDPJYHWFYAW-UHFFFAOYSA-N 1 0 392.297 3.811 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000534309676 866526232 /nfs/dbraw/zinc/52/62/32/866526232.db2.gz HHJNVMXVJLUOOA-HXUWFJFHSA-N 1 0 397.519 3.976 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000153493510 866537350 /nfs/dbraw/zinc/53/73/50/866537350.db2.gz NBUGLCOXKVMLBF-QFIPXVFZSA-N 1 0 376.504 3.603 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)sc2c1CCC2 ZINC000183386777 866681755 /nfs/dbraw/zinc/68/17/55/866681755.db2.gz OUNRYBKXNSDXPO-INIZCTEOSA-N 1 0 399.491 3.729 20 30 GHEDRO COc1ccc(CN2CC[NH+](CCCCC(C)(C)C#N)CC2)c(OC)c1OC ZINC000444601145 866934555 /nfs/dbraw/zinc/93/45/55/866934555.db2.gz VLPMTNKOXFULQI-UHFFFAOYSA-N 1 0 389.540 3.550 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000444621398 866976242 /nfs/dbraw/zinc/97/62/42/866976242.db2.gz ZNTIAEGEKUNCNQ-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000444711551 867103681 /nfs/dbraw/zinc/10/36/81/867103681.db2.gz XUAAGGLBENKFGR-HNNXBMFYSA-N 1 0 392.341 3.921 20 30 GHEDRO N#Cc1ccc2nc(N3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)ccc2c1 ZINC000553336466 867204452 /nfs/dbraw/zinc/20/44/52/867204452.db2.gz TXLAFUOLPKMYJX-QHCPKHFHSA-N 1 0 397.526 3.503 20 30 GHEDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000444776017 867217497 /nfs/dbraw/zinc/21/74/97/867217497.db2.gz KCLPLCZKEHTJII-HXUWFJFHSA-N 1 0 377.916 3.522 20 30 GHEDRO N#CCC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000553385201 867335350 /nfs/dbraw/zinc/33/53/50/867335350.db2.gz OVSJJJMSBJSMKS-MJGOQNOKSA-N 1 0 389.293 3.823 20 30 GHEDRO N#CC1(NC(=O)c2ccc(-n3cccc3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479219167 867374002 /nfs/dbraw/zinc/37/40/02/867374002.db2.gz RFCCDTXLMXZXJM-UHFFFAOYSA-N 1 0 384.483 3.765 20 30 GHEDRO Cc1cccc(OCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479250106 867422806 /nfs/dbraw/zinc/42/28/06/867422806.db2.gz STSSVXBUWUVWOO-UHFFFAOYSA-N 1 0 391.515 3.829 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000553505323 867551136 /nfs/dbraw/zinc/55/11/36/867551136.db2.gz YGJTZOSJBXIPHK-UHFFFAOYSA-N 1 0 398.466 3.702 20 30 GHEDRO C[NH+](C)Cc1ccc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000523583955 867582128 /nfs/dbraw/zinc/58/21/28/867582128.db2.gz WRQREKAEURFFKF-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO CN(C(=O)CSc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063130 867597129 /nfs/dbraw/zinc/59/71/29/867597129.db2.gz BDFGRUCLJQOZPJ-UHFFFAOYSA-N 1 0 385.455 3.526 20 30 GHEDRO C[N@H+](CCCCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CC1 ZINC000457203349 867842805 /nfs/dbraw/zinc/84/28/05/867842805.db2.gz OONDLOBMLVALNL-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508841326 867850750 /nfs/dbraw/zinc/85/07/50/867850750.db2.gz PYUDZZLFNDJPIG-LWYYNNOASA-N 1 0 387.572 3.652 20 30 GHEDRO C[NH+](C)[C@]1(CNc2c(C#N)cnc3c(Br)cccc32)CCSC1 ZINC000440665698 867889860 /nfs/dbraw/zinc/88/98/60/867889860.db2.gz AGKIYQICHIXJQV-KRWDZBQOSA-N 1 0 391.338 3.718 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000743197927 867945324 /nfs/dbraw/zinc/94/53/24/867945324.db2.gz KALZTFUDHILVNK-GOSISDBHSA-N 1 0 395.478 3.966 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000743199166 867949573 /nfs/dbraw/zinc/94/95/73/867949573.db2.gz WOTDFOFUZNIKRP-HXUWFJFHSA-N 1 0 381.451 3.796 20 30 GHEDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)nc1 ZINC000091687380 882151883 /nfs/dbraw/zinc/15/18/83/882151883.db2.gz ZYUKZWSYISWDHD-UHFFFAOYSA-N 1 0 392.503 3.923 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508843454 868100563 /nfs/dbraw/zinc/10/05/63/868100563.db2.gz CUUIJBHAZQYVMH-HXUWFJFHSA-N 1 0 395.551 3.725 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)([NH+](C)C)C1 ZINC000609071492 868143630 /nfs/dbraw/zinc/14/36/30/868143630.db2.gz ANEVLTMKYWHBMH-UZUQRXQVSA-N 1 0 395.503 3.971 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000479616264 868224656 /nfs/dbraw/zinc/22/46/56/868224656.db2.gz JXYWHZXGIZCUKD-WOJBJXKFSA-N 1 0 381.472 3.721 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCOC2)O1 ZINC000475627145 868392314 /nfs/dbraw/zinc/39/23/14/868392314.db2.gz ONHFNHILZMONCD-MBSDFSHPSA-N 1 0 378.472 3.517 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157283374 868611910 /nfs/dbraw/zinc/61/19/10/868611910.db2.gz HHJQVZJBJZBBJV-OALUTQOASA-N 1 0 375.582 3.602 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000440808962 868651127 /nfs/dbraw/zinc/65/11/27/868651127.db2.gz NOMVHYKFKZWZBZ-LJQANCHMSA-N 1 0 389.421 3.950 20 30 GHEDRO COc1cc2c(cc1F)[nH+]ccc2N1CCN(c2cccc(F)c2C#N)CC1 ZINC000479944799 868768127 /nfs/dbraw/zinc/76/81/27/868768127.db2.gz YYBZGHIBCOFYGY-UHFFFAOYSA-N 1 0 380.398 3.720 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=S ZINC000744437656 868839349 /nfs/dbraw/zinc/83/93/49/868839349.db2.gz AGBUQXWLBFTEMP-MOPGFXCFSA-N 1 0 383.565 3.702 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000508848587 868961725 /nfs/dbraw/zinc/96/17/25/868961725.db2.gz NUBYNXNEIAOIAL-UHFFFAOYSA-N 1 0 398.514 3.633 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793503446 882251352 /nfs/dbraw/zinc/25/13/52/882251352.db2.gz INPOKYMXPCMVBA-IBGZPJMESA-N 1 0 396.579 3.533 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000524453179 869102998 /nfs/dbraw/zinc/10/29/98/869102998.db2.gz QZBYRGSDXREFQV-UZLBHIALSA-N 1 0 393.487 3.812 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000524607699 869338552 /nfs/dbraw/zinc/33/85/52/869338552.db2.gz PDAQRKGFLHDZDL-SFHVURJKSA-N 1 0 377.513 3.817 20 30 GHEDRO Cc1cccc(-n2ccn(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2=S)c1 ZINC000793589919 882294573 /nfs/dbraw/zinc/29/45/73/882294573.db2.gz JBOMVGGBFWKLBN-LJQANCHMSA-N 1 0 391.500 3.694 20 30 GHEDRO COc1cc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)ccc1C#N ZINC000462470988 869512597 /nfs/dbraw/zinc/51/25/97/869512597.db2.gz GKHDMYNCALBBEM-SFHVURJKSA-N 1 0 398.551 3.753 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000793603434 882311003 /nfs/dbraw/zinc/31/10/03/882311003.db2.gz AMQNPCCSVARCJA-VGOFRKELSA-N 1 0 385.508 3.810 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNc3c(C#N)nnc4ccccc43)CCCCC2)CCO1 ZINC000524843574 869664121 /nfs/dbraw/zinc/66/41/21/869664121.db2.gz WVLSYHFSCFLPGZ-UHFFFAOYSA-N 1 0 379.508 3.727 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065417066 869665348 /nfs/dbraw/zinc/66/53/48/869665348.db2.gz CHDYFGANVABFGH-HXUWFJFHSA-N 1 0 392.503 3.991 20 30 GHEDRO CC[C@]1(c2ccccc2)NC(=O)N(CN(Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000746032514 869959731 /nfs/dbraw/zinc/95/97/31/869959731.db2.gz AYQVBFHTERWOKA-HSZRJFAPSA-N 1 0 390.487 3.583 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)C2)nc1 ZINC000428800048 870213758 /nfs/dbraw/zinc/21/37/58/870213758.db2.gz FNEYYHHOGNCMIM-MRXNPFEDSA-N 1 0 377.366 3.548 20 30 GHEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000525328749 870368810 /nfs/dbraw/zinc/36/88/10/870368810.db2.gz LLKGZDLZRBYVTD-OXJNMPFZSA-N 1 0 388.556 3.852 20 30 GHEDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000538729112 870450890 /nfs/dbraw/zinc/45/08/90/870450890.db2.gz RFLFGINZZKQIRJ-JOCHJYFZSA-N 1 0 390.483 3.912 20 30 GHEDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000441141185 870626751 /nfs/dbraw/zinc/62/67/51/870626751.db2.gz RITDHKFGJKIFMI-HXUWFJFHSA-N 1 0 394.471 3.673 20 30 GHEDRO N#CCOc1ccccc1C(=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181292002 870735041 /nfs/dbraw/zinc/73/50/41/870735041.db2.gz DHXWXQBPHQQIKQ-HXUWFJFHSA-N 1 0 376.456 3.509 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(F)cc1OCC#N ZINC000766452122 870793207 /nfs/dbraw/zinc/79/32/07/870793207.db2.gz KVGCKKCBOLUFHB-IRXDYDNUSA-N 1 0 396.466 3.855 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461714548 870796967 /nfs/dbraw/zinc/79/69/67/870796967.db2.gz JATVRDHSLJRNSK-GOSISDBHSA-N 1 0 396.491 3.813 20 30 GHEDRO C[C@H](CC#N)N(C)Cc1ccc(Br)cc1CN(C)[C@H](C)CC#N ZINC000249303807 870809028 /nfs/dbraw/zinc/80/90/28/870809028.db2.gz MKGIXIXYDVYFQN-HUUCEWRRSA-N 1 0 377.330 3.917 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000544415509 870813647 /nfs/dbraw/zinc/81/36/47/870813647.db2.gz SCAZAXSZWNLNPR-FQEVSTJZSA-N 1 0 375.497 3.810 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168807296 870857284 /nfs/dbraw/zinc/85/72/84/870857284.db2.gz OAIUTCIVJZCYOY-LAUBAEHRSA-N 1 0 398.551 3.510 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249538592 870859581 /nfs/dbraw/zinc/85/95/81/870859581.db2.gz DDXBTZXIPWGQBM-QINHECLXSA-N 1 0 375.538 3.502 20 30 GHEDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CN1C(=O)OC(C)(C)C ZINC001168874990 870958015 /nfs/dbraw/zinc/95/80/15/870958015.db2.gz XDTWXZACRUZGOQ-NZSAHSFTSA-N 1 0 385.508 3.799 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H]1c1cc[nH]n1)CCCCC2 ZINC000429696209 871045050 /nfs/dbraw/zinc/04/50/50/871045050.db2.gz BAAGZZSTVJTVCX-KRWDZBQOSA-N 1 0 383.521 3.777 20 30 GHEDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)cc1 ZINC000181538875 871162269 /nfs/dbraw/zinc/16/22/69/871162269.db2.gz OWVLKEKOZMKVQS-CVDCTZTESA-N 1 0 379.504 3.622 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000461916672 871267130 /nfs/dbraw/zinc/26/71/30/871267130.db2.gz NVYUQXSLMDGOGE-SFHVURJKSA-N 1 0 379.504 3.699 20 30 GHEDRO COC(=O)c1ccc(-c2nc(CON=C(N)CCc3ccccc3)co2)cc1 ZINC000181605089 871286143 /nfs/dbraw/zinc/28/61/43/871286143.db2.gz HCPXIIRNGTYFPN-UHFFFAOYSA-N 1 0 379.416 3.550 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508590172 871293034 /nfs/dbraw/zinc/29/30/34/871293034.db2.gz VEEOGYHAEFWTDR-UHFFFAOYSA-N 1 0 381.501 3.758 20 30 GHEDRO Cc1nc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)cc1C#N ZINC000461941745 871324778 /nfs/dbraw/zinc/32/47/78/871324778.db2.gz MRRHPVHFGCJSCT-GJZGRUSLSA-N 1 0 376.932 3.631 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000181652958 871332019 /nfs/dbraw/zinc/33/20/19/871332019.db2.gz HPBOZQZKHRIOQJ-SFHVURJKSA-N 1 0 383.517 3.804 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169291147 871374074 /nfs/dbraw/zinc/37/40/74/871374074.db2.gz SADKTOMUKJAXBY-UHFFFAOYSA-N 1 0 389.499 3.848 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000540471076 871383203 /nfs/dbraw/zinc/38/32/03/871383203.db2.gz BHZKDEXHGZKDEU-NHCUHLMSSA-N 1 0 391.515 3.773 20 30 GHEDRO C=CC[C@H]1[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCC1(C)C ZINC001193921513 871394587 /nfs/dbraw/zinc/39/45/87/871394587.db2.gz YDTYLLYITWWFHA-GOSISDBHSA-N 1 0 375.469 3.999 20 30 GHEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CCCC1(C)C ZINC001193921472 871394897 /nfs/dbraw/zinc/39/48/97/871394897.db2.gz XNLUZFKFPISBSB-GOSISDBHSA-N 1 0 387.915 3.926 20 30 GHEDRO CC(C)(C)c1ncc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001194014133 871433419 /nfs/dbraw/zinc/43/34/19/871433419.db2.gz ZCWVNMAPKHGYCP-MXVIHJGJSA-N 1 0 391.519 3.558 20 30 GHEDRO CC(C)(O)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000540523427 871486435 /nfs/dbraw/zinc/48/64/35/871486435.db2.gz NYZLTSIVIGZVIX-UHFFFAOYSA-N 1 0 385.895 3.813 20 30 GHEDRO C[C@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1cccc(C#N)c1 ZINC000462069056 871520971 /nfs/dbraw/zinc/52/09/71/871520971.db2.gz ANHOPBPFEWIQRQ-SFHVURJKSA-N 1 0 383.536 3.592 20 30 GHEDRO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000447387153 871555301 /nfs/dbraw/zinc/55/53/01/871555301.db2.gz SJASSYTXBRQENA-SFHVURJKSA-N 1 0 399.498 3.646 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OC(C)C ZINC000539252434 871562056 /nfs/dbraw/zinc/56/20/56/871562056.db2.gz DYBHHNSPWBQFDF-QYWGDWMGSA-N 1 0 375.513 3.576 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001194241284 871578427 /nfs/dbraw/zinc/57/84/27/871578427.db2.gz OXMICORLAYMLEC-MRXNPFEDSA-N 1 0 376.932 3.737 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000539269672 871594547 /nfs/dbraw/zinc/59/45/47/871594547.db2.gz WGUQHKFLRPHHIC-QGZVFWFLSA-N 1 0 381.476 3.691 20 30 GHEDRO C[C@@H](NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000080711490 871615715 /nfs/dbraw/zinc/61/57/15/871615715.db2.gz RGKWOJQHUJWAGR-GCJKJVERSA-N 1 0 376.504 3.925 20 30 GHEDRO N#Cc1c[nH]c2ncc(-n3cc(CC[NH3+])c4ccc(OC(F)(F)F)cc43)cc12 ZINC001169613723 871707191 /nfs/dbraw/zinc/70/71/91/871707191.db2.gz MRJVOPWINVYYBS-UHFFFAOYSA-N 1 0 385.349 3.778 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001194505902 871754949 /nfs/dbraw/zinc/75/49/49/871754949.db2.gz XPTLZSBTTIDWDV-LADGPHEKSA-N 1 0 389.499 3.764 20 30 GHEDRO COc1ccccc1OC[C@H](C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182091623 871819696 /nfs/dbraw/zinc/81/96/96/871819696.db2.gz OZKVEORPYLZQSF-LJQANCHMSA-N 1 0 393.531 3.836 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000092756807 871839812 /nfs/dbraw/zinc/83/98/12/871839812.db2.gz LWISOAGTLWYHCZ-INIZCTEOSA-N 1 0 395.341 3.693 20 30 GHEDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001169771817 871860348 /nfs/dbraw/zinc/86/03/48/871860348.db2.gz POVVKOYOIGKBOS-LJQANCHMSA-N 1 0 383.410 3.848 20 30 GHEDRO CC[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447585237 871888381 /nfs/dbraw/zinc/88/83/81/871888381.db2.gz JOQWPDOBYCLJDY-GOSISDBHSA-N 1 0 386.293 3.791 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1-n1ccnn1 ZINC000552042516 871922687 /nfs/dbraw/zinc/92/26/87/871922687.db2.gz KTGRDSKCWKOVTF-AEFFLSMTSA-N 1 0 390.466 3.598 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1-n1ccnn1 ZINC000552042519 871922875 /nfs/dbraw/zinc/92/28/75/871922875.db2.gz KTGRDSKCWKOVTF-WMZOPIPTSA-N 1 0 390.466 3.598 20 30 GHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(Nc2ncc(Br)[nH]c2=O)cc1 ZINC001169853040 871942753 /nfs/dbraw/zinc/94/27/53/871942753.db2.gz ADGXJSRJBDILJQ-CQSZACIVSA-N 1 0 375.270 3.599 20 30 GHEDRO CC[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000618797727 872004019 /nfs/dbraw/zinc/00/40/19/872004019.db2.gz QMIORVUMBALZFJ-JTHBVZDNSA-N 1 0 388.515 3.682 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000618803782 872011087 /nfs/dbraw/zinc/01/10/87/872011087.db2.gz IRYUWWYGKDNQBG-LIRRHRJNSA-N 1 0 379.460 3.570 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000618809285 872015860 /nfs/dbraw/zinc/01/58/60/872015860.db2.gz CWXYEENFRADYFL-LAUBAEHRSA-N 1 0 394.544 3.818 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000618809287 872016320 /nfs/dbraw/zinc/01/63/20/872016320.db2.gz CWXYEENFRADYFL-UWJYYQICSA-N 1 0 394.544 3.818 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000618819736 872026706 /nfs/dbraw/zinc/02/67/06/872026706.db2.gz LMAUWCWLAGNVIQ-UXHICEINSA-N 1 0 382.895 3.801 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618828351 872033213 /nfs/dbraw/zinc/03/32/13/872033213.db2.gz JSELRZDKEDHRJV-DHIUTWEWSA-N 1 0 388.515 3.755 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC2CCOCC2)cc1OC ZINC000093314744 872067846 /nfs/dbraw/zinc/06/78/46/872067846.db2.gz FFKWKPOVHKJWLN-UHFFFAOYSA-N 1 0 384.314 3.881 20 30 GHEDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O[C@H](C#N)CC)c2)C1 ZINC000775633049 872147580 /nfs/dbraw/zinc/14/75/80/872147580.db2.gz OZKJCHUIUTWIBX-ZACQAIPSSA-N 1 0 380.435 3.824 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000619067562 872278241 /nfs/dbraw/zinc/27/82/41/872278241.db2.gz MNHWVOUUQDASJA-UHFFFAOYSA-N 1 0 391.475 3.508 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c(-c2ccncc2)n1 ZINC000619073823 872280740 /nfs/dbraw/zinc/28/07/40/872280740.db2.gz XTXPPIBXGXIQOP-OAQYLSRUSA-N 1 0 397.486 3.655 20 30 GHEDRO N#Cc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)ccc1C(F)(F)F ZINC000463663944 872284357 /nfs/dbraw/zinc/28/43/57/872284357.db2.gz KPZQWXRSYYPZHS-UHFFFAOYSA-N 1 0 395.347 3.668 20 30 GHEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCS2 ZINC000526966217 872373904 /nfs/dbraw/zinc/37/39/04/872373904.db2.gz LGKDYZLOQJSYJY-WOJBJXKFSA-N 1 0 393.512 3.889 20 30 GHEDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000619179021 872394968 /nfs/dbraw/zinc/39/49/68/872394968.db2.gz XXFRQCMZZUTZAJ-CVEARBPZSA-N 1 0 389.565 3.843 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478046305 872414398 /nfs/dbraw/zinc/41/43/98/872414398.db2.gz MIOKPGSHZCQDIG-MOPGFXCFSA-N 1 0 382.552 3.862 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2cccc(C#N)c2)C1 ZINC000857882217 882612715 /nfs/dbraw/zinc/61/27/15/882612715.db2.gz HMSZOKOEKSUTJE-SFHVURJKSA-N 1 0 398.304 3.844 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000093792276 882620034 /nfs/dbraw/zinc/62/00/34/882620034.db2.gz OTWPDBUCZFNAJI-UHFFFAOYSA-N 1 0 389.515 3.557 20 30 GHEDRO N#CCc1cccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000619483577 872682061 /nfs/dbraw/zinc/68/20/61/872682061.db2.gz QQOJPAFQGPGOPO-UHFFFAOYSA-N 1 0 397.544 3.607 20 30 GHEDRO Cc1ccc(F)cc1NC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001195920504 872756436 /nfs/dbraw/zinc/75/64/36/872756436.db2.gz COPBIPNSWBMHBQ-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000767885701 872914564 /nfs/dbraw/zinc/91/45/64/872914564.db2.gz UILBYEXMXXPTBY-IEBWSBKVSA-N 1 0 390.405 3.806 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000767905730 872951644 /nfs/dbraw/zinc/95/16/44/872951644.db2.gz HWRPVICYFZJYIC-HXUWFJFHSA-N 1 0 386.499 3.907 20 30 GHEDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754755 872965594 /nfs/dbraw/zinc/96/55/94/872965594.db2.gz JXAMNBIQIMDYAU-CYBMUJFWSA-N 1 0 377.897 3.824 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000921188903 882677560 /nfs/dbraw/zinc/67/75/60/882677560.db2.gz VNNWSEUEKFEVSF-UHFFFAOYSA-N 1 0 387.911 3.890 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1Cl ZINC000619748716 872984356 /nfs/dbraw/zinc/98/43/56/872984356.db2.gz MFSQMZSUIDWEIU-UHFFFAOYSA-N 1 0 383.879 3.503 20 30 GHEDRO CCN1CC[C@H]([NH2+]CCOc2ccccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000619809721 873062324 /nfs/dbraw/zinc/06/23/24/873062324.db2.gz CZEPFELCYJVRPQ-RXVVDRJESA-N 1 0 389.421 3.779 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000623578934 873225863 /nfs/dbraw/zinc/22/58/63/873225863.db2.gz FPLVIMXVEPYDAC-IBGZPJMESA-N 1 0 379.495 3.935 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(-n4ccnc4)cs3)CC2)nc1 ZINC000541383877 873485774 /nfs/dbraw/zinc/48/57/74/873485774.db2.gz NXLHIMMDRIWYCW-UHFFFAOYSA-N 1 0 379.489 3.680 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000768691176 873531044 /nfs/dbraw/zinc/53/10/44/873531044.db2.gz QSDFINJCKRFTEN-IEBWSBKVSA-N 1 0 390.524 3.756 20 30 GHEDRO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000768799894 873560829 /nfs/dbraw/zinc/56/08/29/873560829.db2.gz RYIBHLDGTPGQDG-QGZVFWFLSA-N 1 0 383.879 3.598 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000768798773 873590039 /nfs/dbraw/zinc/59/00/39/873590039.db2.gz MBBRRWDQAFNBTE-GOSISDBHSA-N 1 0 397.906 3.988 20 30 GHEDRO COC(OC)c1ccc(F)c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527808113 873592842 /nfs/dbraw/zinc/59/28/42/873592842.db2.gz DODOLHQPPWURRE-UHFFFAOYSA-N 1 0 384.451 3.784 20 30 GHEDRO C=CCCC[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC001197369004 873778120 /nfs/dbraw/zinc/77/81/20/873778120.db2.gz RBSASHVHDXLRMS-HXUWFJFHSA-N 1 0 386.517 3.716 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000769057803 873791459 /nfs/dbraw/zinc/79/14/59/873791459.db2.gz XRPBFVFSPBZGEM-UHFFFAOYSA-N 1 0 382.891 3.700 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)cnc1C)[C@H](C)Cc1ccc(O)cc1 ZINC001183047624 912216641 /nfs/dbraw/zinc/21/66/41/912216641.db2.gz GTDOKGBISRCQSV-MRXNPFEDSA-N 1 0 380.492 3.639 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC000921242761 882765941 /nfs/dbraw/zinc/76/59/41/882765941.db2.gz VLCVWOMOKUCPSV-GOSISDBHSA-N 1 0 376.504 3.549 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)c2cccc(C#N)c2Br)([NH+](C)C)C1 ZINC000448766839 873909036 /nfs/dbraw/zinc/90/90/36/873909036.db2.gz FSKJLGVWLYZKRJ-ACJLOTCBSA-N 1 0 378.314 3.561 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000769234184 873910700 /nfs/dbraw/zinc/91/07/00/873910700.db2.gz ZCHOLEPGVMKUGJ-MRXNPFEDSA-N 1 0 379.460 3.534 20 30 GHEDRO C#CC[N@@H+](C[C@H](OC)c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001197770327 874035079 /nfs/dbraw/zinc/03/50/79/874035079.db2.gz QRNGJDMKNUVFJS-FQEVSTJZSA-N 1 0 390.499 3.848 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769424691 874046652 /nfs/dbraw/zinc/04/66/52/874046652.db2.gz NXNPMZOXKPNPQR-PXNSSMCTSA-N 1 0 386.540 3.772 20 30 GHEDRO CN(CC(F)F)C1CCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000804404567 882787765 /nfs/dbraw/zinc/78/77/65/882787765.db2.gz RPMDYESTUQFIFQ-UHFFFAOYSA-N 1 0 386.311 3.785 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000769460499 874085749 /nfs/dbraw/zinc/08/57/49/874085749.db2.gz LADLPSNQMIYTEV-QFIPXVFZSA-N 1 0 376.504 3.664 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000537649392 882793638 /nfs/dbraw/zinc/79/36/38/882793638.db2.gz KBNOPFUTKJOIPL-QGZVFWFLSA-N 1 0 384.442 3.874 20 30 GHEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc2ccccc21 ZINC001197863358 874102682 /nfs/dbraw/zinc/10/26/82/874102682.db2.gz FVGHDLKGBDCZRN-HXUWFJFHSA-N 1 0 379.485 3.621 20 30 GHEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc2ccccc21 ZINC001197863357 874102776 /nfs/dbraw/zinc/10/27/76/874102776.db2.gz FVGHDLKGBDCZRN-FQEVSTJZSA-N 1 0 379.485 3.621 20 30 GHEDRO C#CCN(C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C1CCCC1 ZINC000769530493 874138291 /nfs/dbraw/zinc/13/82/91/874138291.db2.gz LTKBCUYFKJQXHV-SFHVURJKSA-N 1 0 381.442 3.896 20 30 GHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(OCC#N)cc1 ZINC000769632028 874178270 /nfs/dbraw/zinc/17/82/70/874178270.db2.gz NTJGRSZNLRNVGB-YQQQUEKLSA-N 1 0 385.508 3.999 20 30 GHEDRO C#CC[N@@H+](CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(C)C ZINC001198026755 874186644 /nfs/dbraw/zinc/18/66/44/874186644.db2.gz JAWDBQHMVDXOTI-QFIPXVFZSA-N 1 0 384.545 3.748 20 30 GHEDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000541863645 874412940 /nfs/dbraw/zinc/41/29/40/874412940.db2.gz KFNGZZGAGSZMDJ-GHTZIAJQSA-N 1 0 399.498 3.618 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000464780212 874477636 /nfs/dbraw/zinc/47/76/36/874477636.db2.gz ZBCMILIYERFQRE-GHTZIAJQSA-N 1 0 377.513 3.778 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000609141228 874520353 /nfs/dbraw/zinc/52/03/53/874520353.db2.gz YHSJAHJEQPYGRT-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO C[C@H]1CC[C@@](CO)([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc21 ZINC001198694083 874559385 /nfs/dbraw/zinc/55/93/85/874559385.db2.gz AMGIICHCCXYDPO-NYHFZMIOSA-N 1 0 397.906 3.915 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000528450455 874598829 /nfs/dbraw/zinc/59/88/29/874598829.db2.gz SQZXAEHOYBGSAH-KRWDZBQOSA-N 1 0 385.335 3.820 20 30 GHEDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000541949783 874613245 /nfs/dbraw/zinc/61/32/45/874613245.db2.gz YAWNDFDVQHJRFS-NRFANRHFSA-N 1 0 399.922 3.781 20 30 GHEDRO Cc1cc(N2CC[C@@H]([NH2+]C3CCC(C)(C#N)CC3)C2=O)ccc1Br ZINC000449254082 874633712 /nfs/dbraw/zinc/63/37/12/874633712.db2.gz WSMKJZXBQDHDDV-LTCLLZNKSA-N 1 0 390.325 3.925 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528581899 874742790 /nfs/dbraw/zinc/74/27/90/874742790.db2.gz MEJAOQJLTSAVAI-KRWDZBQOSA-N 1 0 386.540 3.571 20 30 GHEDRO Cn1ccc2cccc(C(=O)N(Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)c21 ZINC001199031764 874767550 /nfs/dbraw/zinc/76/75/50/874767550.db2.gz QAZYWJIFQXDHKR-MEMLXQNLSA-N 1 0 386.499 3.962 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2)CC1 ZINC000537651420 882869423 /nfs/dbraw/zinc/86/94/23/882869423.db2.gz HDUJJWVJFMNSBY-UHFFFAOYSA-N 1 0 383.517 3.633 20 30 GHEDRO CC(C)Oc1cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001199212397 874854386 /nfs/dbraw/zinc/85/43/86/874854386.db2.gz UUPNWFPXGJRQHO-MEMLXQNLSA-N 1 0 392.503 3.653 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCO[C@H]2C=C)cc1OCC ZINC000449517942 874987040 /nfs/dbraw/zinc/98/70/40/874987040.db2.gz IANRLKNCDZASHT-CVEARBPZSA-N 1 0 382.298 3.846 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000449521390 874994104 /nfs/dbraw/zinc/99/41/04/874994104.db2.gz GQTSLGGKUHLTML-UHFFFAOYSA-N 1 0 376.504 3.579 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3cc(Cl)ccc3F)CCOCC2)cc1 ZINC000528778765 875051275 /nfs/dbraw/zinc/05/12/75/875051275.db2.gz MZHZONUEVXGYDY-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cc(C#N)ccc3Br)CCOCC2)cc1 ZINC000528778872 875052307 /nfs/dbraw/zinc/05/23/07/875052307.db2.gz OFCQXNWPIYIRJR-UHFFFAOYSA-N 1 0 396.288 3.988 20 30 GHEDRO N#Cc1ccc(C(=O)N(c2ccccc2N)C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001199681242 875123609 /nfs/dbraw/zinc/12/36/09/875123609.db2.gz VMYHPKULAVYBRO-UHFFFAOYSA-N 1 0 399.498 3.780 20 30 GHEDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000449621202 875139320 /nfs/dbraw/zinc/13/93/20/875139320.db2.gz YWWJZSRYPJEWCZ-XUTJKUGGSA-N 1 0 387.487 3.903 20 30 GHEDRO CCOc1ccc(C(=O)/C=C/c2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000771528411 875314610 /nfs/dbraw/zinc/31/46/10/875314610.db2.gz NCFQCCZUAGSWLC-UXBLZVDNSA-N 1 0 395.459 3.641 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3ncc(Br)s3)cc2)CC1 ZINC000771528948 875314768 /nfs/dbraw/zinc/31/47/68/875314768.db2.gz PYASCOBFCRIMQU-QPJJXVBHSA-N 1 0 392.322 3.554 20 30 GHEDRO COc1cc(C#N)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000121561725 875461604 /nfs/dbraw/zinc/46/16/04/875461604.db2.gz ZQRBLOUYUYTZHS-DFNIBXOVSA-N 1 0 385.508 3.929 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CC1 ZINC001201030230 875475798 /nfs/dbraw/zinc/47/57/98/875475798.db2.gz CVBRVLQQHMNLMR-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO CC(C)N(C(=S)Nc1ccc(C#N)cc1Br)C1CC[NH+](C)CC1 ZINC001201124641 875538699 /nfs/dbraw/zinc/53/86/99/875538699.db2.gz PQVGIHAGIFKKAH-UHFFFAOYSA-N 1 0 395.370 3.822 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449884730 875571864 /nfs/dbraw/zinc/57/18/64/875571864.db2.gz FVFAQNAITGNCNN-OQIJWPOYSA-N 1 0 396.453 3.796 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001201299619 875618588 /nfs/dbraw/zinc/61/85/88/875618588.db2.gz WPAUZTFNKKUGMJ-LJQANCHMSA-N 1 0 375.488 3.716 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000858219298 882951041 /nfs/dbraw/zinc/95/10/41/882951041.db2.gz HHSVVNQKHCDHHY-WOJBJXKFSA-N 1 0 384.524 3.574 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc1OC ZINC001201416517 875678920 /nfs/dbraw/zinc/67/89/20/875678920.db2.gz PQRSZYZNXPMCKC-UHFFFAOYSA-N 1 0 393.386 3.880 20 30 GHEDRO CCCCCCCC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001201814926 875872615 /nfs/dbraw/zinc/87/26/15/875872615.db2.gz UKOSCGVWOSXXSZ-SBHAEUEKSA-N 1 0 382.564 3.892 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001201815198 875873559 /nfs/dbraw/zinc/87/35/59/875873559.db2.gz YYPGZFDQIKRECF-NNWRFLSQSA-N 1 0 387.568 3.580 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 ZINC001201777460 875875154 /nfs/dbraw/zinc/87/51/54/875875154.db2.gz XJZLDVNZBMJPIM-RTWAWAEBSA-N 1 0 376.516 3.845 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCCn2cnc(COCC(=O)N(C)C)c2C1 ZINC001201874846 875918791 /nfs/dbraw/zinc/91/87/91/875918791.db2.gz IYJNEAHXDGFEGE-UHFFFAOYSA-N 1 0 392.588 3.834 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000777011145 882983821 /nfs/dbraw/zinc/98/38/21/882983821.db2.gz BXCVMSZFTPLXAO-QGZVFWFLSA-N 1 0 381.289 3.501 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529368802 876043649 /nfs/dbraw/zinc/04/36/49/876043649.db2.gz VNRWFARJOSYPNX-INIZCTEOSA-N 1 0 396.304 3.570 20 30 GHEDRO Cn1cc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)cc1C#N ZINC000491997057 876079242 /nfs/dbraw/zinc/07/92/42/876079242.db2.gz HHNNJJFVZXLQFE-NZQKXSOJSA-N 1 0 391.446 3.577 20 30 GHEDRO CCc1ccccc1NC(=S)C(C(=O)c1cnn(C)c1)[n+]1cccc(C)c1 ZINC000151919001 876120939 /nfs/dbraw/zinc/12/09/39/876120939.db2.gz SGBWECIULAWMPI-UHFFFAOYSA-O 1 0 379.509 3.629 20 30 GHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1)CC(C)C ZINC000443879740 876275131 /nfs/dbraw/zinc/27/51/31/876275131.db2.gz NDZYXTFAIBTMIO-UHFFFAOYSA-N 1 0 391.581 3.635 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000609334954 883029746 /nfs/dbraw/zinc/02/97/46/883029746.db2.gz MOOXVZSOLXKOGX-UHFFFAOYSA-N 1 0 382.895 3.670 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1 ZINC000850349094 876840135 /nfs/dbraw/zinc/84/01/35/876840135.db2.gz ZXSPNOJBXGMQJJ-MHZLTWQESA-N 1 0 396.434 3.538 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(Br)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450754094 876872781 /nfs/dbraw/zinc/87/27/81/876872781.db2.gz HMRSFPZPIXHRKO-ZIAGYGMSSA-N 1 0 390.325 3.704 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187233416 876874994 /nfs/dbraw/zinc/87/49/94/876874994.db2.gz KHNPWIQCFGRMLJ-CYBMUJFWSA-N 1 0 394.235 3.516 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000761661696 883103917 /nfs/dbraw/zinc/10/39/17/883103917.db2.gz IRHIEWCVGWZDHN-UHFFFAOYSA-N 1 0 388.487 3.894 20 30 GHEDRO CC1CCC(OC2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)CC1 ZINC000609392503 883106448 /nfs/dbraw/zinc/10/64/48/883106448.db2.gz NELYIOUKCYLJKK-AATLZSDMSA-N 1 0 386.536 3.552 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000174769811 877237726 /nfs/dbraw/zinc/23/77/26/877237726.db2.gz IPEAMDJYEVMVGH-ZDUSSCGKSA-N 1 0 390.475 3.953 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451155558 877470870 /nfs/dbraw/zinc/47/08/70/877470870.db2.gz PWHKVFDVWZNQJU-CQSZACIVSA-N 1 0 375.900 3.556 20 30 GHEDRO C#CCCC1(CCNC(=O)CCC[N@@H+](CC)[C@H](C)Cc2ccc(O)cc2)N=N1 ZINC001183055635 912251571 /nfs/dbraw/zinc/25/15/71/912251571.db2.gz IBGSGMNTTCLJSQ-GOSISDBHSA-N 1 0 384.524 3.507 20 30 GHEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000451248156 877659560 /nfs/dbraw/zinc/65/95/60/877659560.db2.gz NOMZGXWCFHVODV-DGCLKSJQSA-N 1 0 378.822 3.993 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000237759272 877943695 /nfs/dbraw/zinc/94/36/95/877943695.db2.gz LFOOJFKVNADKBH-FQEVSTJZSA-N 1 0 386.879 3.938 20 30 GHEDRO C#CCC1(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000788236858 877972674 /nfs/dbraw/zinc/97/26/74/877972674.db2.gz AOZVOXFMIKKEDN-UHFFFAOYSA-N 1 0 382.548 3.794 20 30 GHEDRO C=C(C)Cn1c(COC)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000642724043 912300818 /nfs/dbraw/zinc/30/08/18/912300818.db2.gz FXFALSLJWRBQMY-ICSRJNTNSA-N 1 0 383.540 3.662 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788596280 878193965 /nfs/dbraw/zinc/19/39/65/878193965.db2.gz YJNMETGHVPZVNH-UXHICEINSA-N 1 0 377.573 3.795 20 30 GHEDRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000537721973 878196440 /nfs/dbraw/zinc/19/64/40/878196440.db2.gz UMVYAZRKSKFKEL-QGZVFWFLSA-N 1 0 376.456 3.788 20 30 GHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)ccc21 ZINC000615883911 878217501 /nfs/dbraw/zinc/21/75/01/878217501.db2.gz YDXDODWJXXVQNA-NRFANRHFSA-N 1 0 394.519 3.615 20 30 GHEDRO CC[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000031124862 878316724 /nfs/dbraw/zinc/31/67/24/878316724.db2.gz MFNXVHNZXWNHLM-HTAPYJJXSA-N 1 0 376.504 3.755 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000537813702 878328661 /nfs/dbraw/zinc/32/86/61/878328661.db2.gz YDUAPWCKXJOWEO-SFHVURJKSA-N 1 0 383.536 3.686 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852474247 878356010 /nfs/dbraw/zinc/35/60/10/878356010.db2.gz VGSNOGYQFLDILZ-ROUUACIJSA-N 1 0 379.426 3.714 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000285559302 912340038 /nfs/dbraw/zinc/34/00/38/912340038.db2.gz HDVYKELMINEPCU-MRXNPFEDSA-N 1 0 395.503 3.904 20 30 GHEDRO C=CCN(C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1)C1CC1 ZINC000537878909 878448720 /nfs/dbraw/zinc/44/87/20/878448720.db2.gz MNTXMYVPIBGQBQ-UHFFFAOYSA-N 1 0 392.931 3.594 20 30 GHEDRO N#Cc1ccccc1C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600182 878455301 /nfs/dbraw/zinc/45/53/01/878455301.db2.gz DMSNADQQXWUEMZ-SFHVURJKSA-N 1 0 379.426 3.571 20 30 GHEDRO O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000788978842 878526491 /nfs/dbraw/zinc/52/64/91/878526491.db2.gz YTQWSDYUIVBBPW-UWVGGRQHSA-N 1 0 385.226 3.571 20 30 GHEDRO CCn1cc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cn1 ZINC000451888689 878626348 /nfs/dbraw/zinc/62/63/48/878626348.db2.gz ISIAVJGCEUETJY-HNNXBMFYSA-N 1 0 382.512 3.597 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852867016 878638430 /nfs/dbraw/zinc/63/84/30/878638430.db2.gz ONMCPBLTELIDON-KRWDZBQOSA-N 1 0 381.545 3.949 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCC(=O)NCc3ccccc3)c2)c1 ZINC000238047975 878641019 /nfs/dbraw/zinc/64/10/19/878641019.db2.gz FBROWAYESGXTSH-UHFFFAOYSA-N 1 0 399.494 3.933 20 30 GHEDRO CC1CN(CC#Cc2ccc(F)cc2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000451895029 878651922 /nfs/dbraw/zinc/65/19/22/878651922.db2.gz WTJPDXJAHVESTL-UHFFFAOYSA-N 1 0 378.466 3.622 20 30 GHEDRO CCn1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000451895959 878654798 /nfs/dbraw/zinc/65/47/98/878654798.db2.gz RQWPKJQFENVICJ-ZIAGYGMSSA-N 1 0 385.537 3.783 20 30 GHEDRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852907478 878655639 /nfs/dbraw/zinc/65/56/39/878655639.db2.gz LPICRGNHQYDPOY-HXUWFJFHSA-N 1 0 394.437 3.512 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000776631925 878664371 /nfs/dbraw/zinc/66/43/71/878664371.db2.gz OCXPZXOIRHVZLT-SDNWHVSQSA-N 1 0 382.479 3.994 20 30 GHEDRO O=C(/C=C/c1cccc2nccn21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180314498 878775424 /nfs/dbraw/zinc/77/54/24/878775424.db2.gz YLJGCDNOZXRMOO-JLHYYAGUSA-N 1 0 380.469 3.947 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]CCC(=O)N(C)c2ccccc2)ccc1OC ZINC000853098811 878814247 /nfs/dbraw/zinc/81/42/47/878814247.db2.gz NKEDAOKFHXWXLG-LJQANCHMSA-N 1 0 381.476 3.519 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460945657 878837200 /nfs/dbraw/zinc/83/72/00/878837200.db2.gz WJECJSAEWXLHDD-LMNJBCLMSA-N 1 0 395.551 3.697 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc4ccccc4[nH]c3=O)C2)c(F)c1 ZINC000238168070 878859352 /nfs/dbraw/zinc/85/93/52/878859352.db2.gz HSRAXLBMXVVHLW-GOSISDBHSA-N 1 0 376.435 3.710 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789365026 878898624 /nfs/dbraw/zinc/89/86/24/878898624.db2.gz REAUUQLDMZSIQW-INIZCTEOSA-N 1 0 395.459 3.595 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789365031 878898878 /nfs/dbraw/zinc/89/88/78/878898878.db2.gz REAUUQLDMZSIQW-MRXNPFEDSA-N 1 0 395.459 3.595 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNc2cc(Br)cnc2C#N)cc1 ZINC000853267928 878942233 /nfs/dbraw/zinc/94/22/33/878942233.db2.gz HVDVBXWSRHLRRH-UHFFFAOYSA-N 1 0 389.297 3.658 20 30 GHEDRO OC1CCN(c2ccc(C=[NH+]NCc3ccc(Br)cc3)cc2)CC1 ZINC000853300163 878959219 /nfs/dbraw/zinc/95/92/19/878959219.db2.gz DLSPTHQOUINQDO-UHFFFAOYSA-N 1 0 388.309 3.534 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000538201755 878989162 /nfs/dbraw/zinc/98/91/62/878989162.db2.gz CVUKPKWULAJYHL-QGZVFWFLSA-N 1 0 383.467 3.817 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000538212529 879026224 /nfs/dbraw/zinc/02/62/24/879026224.db2.gz NSIKGTAQYUOREU-IIBYNOLFSA-N 1 0 385.458 3.846 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC2CCOCC2)cc1 ZINC000068866468 879106626 /nfs/dbraw/zinc/10/66/26/879106626.db2.gz LPRANZJXVXXCPM-UHFFFAOYSA-O 1 0 383.537 3.607 20 30 GHEDRO C=CCn1c(=S)n(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)nc1C1CC1 ZINC000795693184 912419703 /nfs/dbraw/zinc/41/97/03/912419703.db2.gz HJBYSFNEOSVQEW-AQNXPRMDSA-N 1 0 396.560 3.939 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000178830063 879247273 /nfs/dbraw/zinc/24/72/73/879247273.db2.gz YLXTZZLQVJUION-QGZVFWFLSA-N 1 0 391.943 3.791 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)C2 ZINC000597714818 879259348 /nfs/dbraw/zinc/25/93/48/879259348.db2.gz JUSMSRMSPYEBEW-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO C=CCCC(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000789793699 879280291 /nfs/dbraw/zinc/28/02/91/879280291.db2.gz HNWKPYXEDDIFLE-UHFFFAOYSA-N 1 0 382.298 3.802 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000538399226 879381118 /nfs/dbraw/zinc/38/11/18/879381118.db2.gz ZLOKWQCGIUDDIK-UHFFFAOYSA-N 1 0 379.895 3.614 20 30 GHEDRO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452452049 879465681 /nfs/dbraw/zinc/46/56/81/879465681.db2.gz NBQNDDKOOAVFGJ-NRFANRHFSA-N 1 0 376.504 3.649 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000246396916 879511621 /nfs/dbraw/zinc/51/16/21/879511621.db2.gz QABNPFFCLQLZBU-RTBURBONSA-N 1 0 395.551 3.805 20 30 GHEDRO Cn1cc(-c2ccnc(C3CC[NH+](CCC4(C#N)CCCCC4)CC3)n2)cn1 ZINC000854104094 879537529 /nfs/dbraw/zinc/53/75/29/879537529.db2.gz NIIUEIOSWWNCMV-UHFFFAOYSA-N 1 0 378.524 3.921 20 30 GHEDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1C#N ZINC000854294745 879702223 /nfs/dbraw/zinc/70/22/23/879702223.db2.gz KLZXHWSNYUCWQK-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO CCCCCCCS(=O)(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000790437623 879725792 /nfs/dbraw/zinc/72/57/92/879725792.db2.gz FYAQJDFLGSDQKO-UHFFFAOYSA-N 1 0 382.570 3.549 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)s1 ZINC000531384490 879751931 /nfs/dbraw/zinc/75/19/31/879751931.db2.gz SGGOWLTXHNXSTE-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc([S@@](C)(=N)=O)cc1)C(C)C ZINC000888485574 879789757 /nfs/dbraw/zinc/78/97/57/879789757.db2.gz YXXUVYVIKXJWNZ-DWXRJYCRSA-N 1 0 378.542 3.542 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790535209 879802607 /nfs/dbraw/zinc/80/26/07/879802607.db2.gz YJVTTZZBWSBDRV-XMSQKQJNSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CC[C@@]1(C(=O)NCC2CC[NH+](CCC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790547376 879804789 /nfs/dbraw/zinc/80/47/89/879804789.db2.gz VJASJGMZYMVTFW-QFIPXVFZSA-N 1 0 393.572 3.570 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181142307 879834683 /nfs/dbraw/zinc/83/46/83/879834683.db2.gz XMDFXKPJMFJUIR-SFHVURJKSA-N 1 0 394.425 3.563 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc3[nH]ccc32)c(OC)c1 ZINC000494061710 879869036 /nfs/dbraw/zinc/86/90/36/879869036.db2.gz YPIAJTHJYGHHHC-IBGZPJMESA-N 1 0 380.488 3.777 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCN1C(=O)OC(C)(C)C ZINC000790645109 879909793 /nfs/dbraw/zinc/90/97/93/879909793.db2.gz UMZZDDFGRGLUGJ-OAQYLSRUSA-N 1 0 397.479 3.552 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2n1CC#N ZINC000609168424 879965315 /nfs/dbraw/zinc/96/53/15/879965315.db2.gz NIPCEJSLRLKTIT-UHFFFAOYSA-N 1 0 378.451 3.508 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000855033752 880230246 /nfs/dbraw/zinc/23/02/46/880230246.db2.gz NOYKGWDTRHVYAX-INIZCTEOSA-N 1 0 380.319 3.613 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)s1 ZINC000855286755 880404210 /nfs/dbraw/zinc/40/42/10/880404210.db2.gz XAFJIXFUKIPCDU-CYBMUJFWSA-N 1 0 388.002 3.828 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000286111777 912574374 /nfs/dbraw/zinc/57/43/74/912574374.db2.gz UKGLCFXQQUKJQA-WXFUMESZSA-N 1 0 398.510 3.963 20 30 GHEDRO CC(C)Oc1cccc([C@H](O)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000286123959 912577750 /nfs/dbraw/zinc/57/77/50/912577750.db2.gz OEZWXUXBKKOUEU-HSZRJFAPSA-N 1 0 379.504 3.637 20 30 GHEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)c1ccc(F)c(F)c1 ZINC000185483834 880593930 /nfs/dbraw/zinc/59/39/30/880593930.db2.gz MJOXGUAOCNJHDO-FQEVSTJZSA-N 1 0 395.494 3.771 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2c(Br)ccc3ccccc32)C1=O ZINC001275199591 912595596 /nfs/dbraw/zinc/59/55/96/912595596.db2.gz NOPREUODBPLXRQ-NRFANRHFSA-N 1 0 397.316 3.802 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1 ZINC000791785400 880719973 /nfs/dbraw/zinc/71/99/73/880719973.db2.gz UGRBYSQJZPHQRT-UHFFFAOYSA-N 1 0 391.515 3.729 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cc1ccccc1CC#N ZINC000776869391 880917646 /nfs/dbraw/zinc/91/76/46/880917646.db2.gz ODSZFCNFJCILNE-UHFFFAOYSA-N 1 0 379.529 3.791 20 30 GHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453457867 880952989 /nfs/dbraw/zinc/95/29/89/880952989.db2.gz YGYCDKNHCKALAI-UHFFFAOYSA-N 1 0 397.567 3.569 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)c1 ZINC000532048353 881000577 /nfs/dbraw/zinc/00/05/77/881000577.db2.gz ZQVIEALELIUMTB-QFIPXVFZSA-N 1 0 391.515 3.692 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000113964965 881015660 /nfs/dbraw/zinc/01/56/60/881015660.db2.gz ILFYEQXEYHXDPA-QUCCMNQESA-N 1 0 396.491 3.597 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792331333 881063498 /nfs/dbraw/zinc/06/34/98/881063498.db2.gz KAOXSGFOYURVFV-UHFFFAOYSA-N 1 0 393.572 3.524 20 30 GHEDRO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181782748 883184063 /nfs/dbraw/zinc/18/40/63/883184063.db2.gz COXATZQPHQUDJA-GOSISDBHSA-N 1 0 377.488 3.792 20 30 GHEDRO CC(C)(C#N)c1ccccc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000135142880 883227264 /nfs/dbraw/zinc/22/72/64/883227264.db2.gz ZGCKJEPVCKUHSX-UHFFFAOYSA-N 1 0 383.458 3.574 20 30 GHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]2CCCO2)c1 ZINC000064400248 883295555 /nfs/dbraw/zinc/29/55/55/883295555.db2.gz IFYXLGYRSJVRSV-NRFANRHFSA-N 1 0 393.487 3.577 20 30 GHEDRO C=CCc1cc(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)cc(OC)c1OC ZINC001170469626 883435574 /nfs/dbraw/zinc/43/55/74/883435574.db2.gz YUEVEVXZYJCUQQ-UHFFFAOYSA-N 1 0 386.536 3.913 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1OCCCC#N ZINC000609620500 883436826 /nfs/dbraw/zinc/43/68/26/883436826.db2.gz GAAWRXHCVFWXCH-AWEZNQCLSA-N 1 0 380.448 3.810 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)C[C@H](CC#N)c2ccccc2)c1 ZINC000477024660 883587171 /nfs/dbraw/zinc/58/71/71/883587171.db2.gz LEFGLZKTJOFQDJ-NRFANRHFSA-N 1 0 379.504 3.673 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)CCOCC1 ZINC000859118537 883600314 /nfs/dbraw/zinc/60/03/14/883600314.db2.gz OJAFEJDYMLNBFS-YJBOKZPZSA-N 1 0 382.426 3.914 20 30 GHEDRO CCCC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000494783616 883604911 /nfs/dbraw/zinc/60/49/11/883604911.db2.gz RTXLBRDKQAMKOO-SFHVURJKSA-N 1 0 398.551 3.621 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccc3c(c2)OCCO3)c(-c2ccccc2)n1 ZINC000194670204 883889333 /nfs/dbraw/zinc/88/93/33/883889333.db2.gz JIYVBJMDIJMNMF-UHFFFAOYSA-N 1 0 388.471 3.567 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000918586137 884012976 /nfs/dbraw/zinc/01/29/76/884012976.db2.gz ZCEQQUYCJLVAGR-GOSISDBHSA-N 1 0 379.504 3.971 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000805782223 884064865 /nfs/dbraw/zinc/06/48/65/884064865.db2.gz HVADVIGJRUIDRM-HSZRJFAPSA-N 1 0 375.516 3.539 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805784248 884066713 /nfs/dbraw/zinc/06/67/13/884066713.db2.gz IQLJENQEGLEKRI-ZEQRLZLVSA-N 1 0 389.543 3.785 20 30 GHEDRO CS(=O)(=O)c1ccc(N=NC2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000841618464 884074708 /nfs/dbraw/zinc/07/47/08/884074708.db2.gz USWQVWYOXZKZGR-NRFANRHFSA-N 1 0 383.517 3.858 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000190474666 884084746 /nfs/dbraw/zinc/08/47/46/884084746.db2.gz VROROYYSEALHGU-YCRPNKLZSA-N 1 0 399.441 3.536 20 30 GHEDRO C[NH+]1CCC(CNC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000760475282 884137988 /nfs/dbraw/zinc/13/79/88/884137988.db2.gz MVYPYMKVRPPVKG-NRFANRHFSA-N 1 0 378.545 3.970 20 30 GHEDRO C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000494896476 884174977 /nfs/dbraw/zinc/17/49/77/884174977.db2.gz WENNRBZYBFPGIK-MJGOQNOKSA-N 1 0 388.531 3.779 20 30 GHEDRO CC(C)COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000498376586 884216646 /nfs/dbraw/zinc/21/66/46/884216646.db2.gz VGWIOBMJEFVSAA-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccc(C)cc1 ZINC000286549524 912799851 /nfs/dbraw/zinc/79/98/51/912799851.db2.gz PZYYULGKAAYJDZ-UHFFFAOYSA-O 1 0 382.431 3.635 20 30 GHEDRO C=CCCOCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000494967178 884300020 /nfs/dbraw/zinc/30/00/20/884300020.db2.gz GFXNYJBWCWKUON-QFIPXVFZSA-N 1 0 387.545 3.979 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000860167289 884388825 /nfs/dbraw/zinc/38/88/25/884388825.db2.gz FZAJAZRXGIKOBR-NRFANRHFSA-N 1 0 399.535 3.796 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1Cl ZINC000556295781 884392953 /nfs/dbraw/zinc/39/29/53/884392953.db2.gz HHEBZHTYWNRERQ-PWIZWCRZSA-N 1 0 389.927 3.688 20 30 GHEDRO N#C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccc(F)cc2)C1 ZINC001183794952 912825758 /nfs/dbraw/zinc/82/57/58/912825758.db2.gz OQWNSDBOUBXPKW-PTUXOGIPSA-N 1 0 391.490 3.803 20 30 GHEDRO CCCCC1N=NC(=S)N1N=Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000914691834 884523193 /nfs/dbraw/zinc/52/31/93/884523193.db2.gz GABNFFWCZLZCMS-SFHVURJKSA-N 1 0 388.585 3.694 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NN2C(=S)N=NC2c2ccco2)c1C ZINC000914691425 884523255 /nfs/dbraw/zinc/52/32/55/884523255.db2.gz DAUURMDDLPLTOY-QGZVFWFLSA-N 1 0 398.536 3.612 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)C(C)C ZINC000806416163 884653715 /nfs/dbraw/zinc/65/37/15/884653715.db2.gz MNCWUFXZRAXDPN-SOLBZPMBSA-N 1 0 388.383 3.910 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103093452 884724160 /nfs/dbraw/zinc/72/41/60/884724160.db2.gz ROEKEEQTFYUTHB-NRFANRHFSA-N 1 0 385.577 3.906 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487861806 884815829 /nfs/dbraw/zinc/81/58/29/884815829.db2.gz YEAZMBNHHCFUTQ-UHFFFAOYSA-N 1 0 391.269 3.509 20 30 GHEDRO C#Cc1cncc(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)c1 ZINC000806610112 884849360 /nfs/dbraw/zinc/84/93/60/884849360.db2.gz MKUUQUIGSCPCJU-IBGZPJMESA-N 1 0 389.421 3.895 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC=NO2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001122595616 884908628 /nfs/dbraw/zinc/90/86/28/884908628.db2.gz LFZGFVIEZJGZCB-KRWDZBQOSA-N 1 0 388.560 3.638 20 30 GHEDRO C=CCC1(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCOCC1 ZINC000666387421 884914420 /nfs/dbraw/zinc/91/44/20/884914420.db2.gz CWTGFJCDPMWVEP-UHFFFAOYSA-N 1 0 387.524 3.798 20 30 GHEDRO N#C[C@H]1CCC[C@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC000860825919 885031618 /nfs/dbraw/zinc/03/16/18/885031618.db2.gz RRYDBWQGPUCVIC-XXTHSBEZSA-N 1 0 389.499 3.923 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000806855946 885062316 /nfs/dbraw/zinc/06/23/16/885062316.db2.gz ATIFBKVZWZMNPG-CTNGQTDRSA-N 1 0 381.545 3.976 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000213351659 885106422 /nfs/dbraw/zinc/10/64/22/885106422.db2.gz BAAVPMJQGJSNAP-YPLUBFQTSA-N 1 0 386.517 3.754 20 30 GHEDRO C=C(C)Cn1c(CC(C)C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460381723 885130476 /nfs/dbraw/zinc/13/04/76/885130476.db2.gz ACVHXZWVVOOFQZ-UHFFFAOYSA-N 1 0 385.531 3.904 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(C#N)cc1 ZINC000194880370 885297434 /nfs/dbraw/zinc/29/74/34/885297434.db2.gz KESVYQJYBPQFJS-UHFFFAOYSA-N 1 0 389.421 3.710 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000556559308 885443705 /nfs/dbraw/zinc/44/37/05/885443705.db2.gz MUIWDABDMQOZMM-CJNGLKHVSA-N 1 0 382.430 3.602 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2OCc2ccccc2C)CC1 ZINC000747404132 885526824 /nfs/dbraw/zinc/52/68/24/885526824.db2.gz GTYYJVOASBDUBN-UHFFFAOYSA-N 1 0 376.500 3.792 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(OC)cc1Br ZINC001275283055 912947697 /nfs/dbraw/zinc/94/76/97/912947697.db2.gz YZGKAXAGOWSZTD-QZTJIDSGSA-N 1 0 393.325 3.599 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000532492874 885856798 /nfs/dbraw/zinc/85/67/98/885856798.db2.gz SJWWKIWRYSKWPP-OAQYLSRUSA-N 1 0 399.498 3.780 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCCC3(C#N)CCOCC3)C2)cc1 ZINC000282078581 886000439 /nfs/dbraw/zinc/00/04/39/886000439.db2.gz UEAUNIRVEQICPZ-HXUWFJFHSA-N 1 0 398.551 3.929 20 30 GHEDRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000195039404 886156585 /nfs/dbraw/zinc/15/65/85/886156585.db2.gz CVTBGLNVIMNQOD-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000112641712 886267492 /nfs/dbraw/zinc/26/74/92/886267492.db2.gz SCGHFYPAAXJDOX-QHCPKHFHSA-N 1 0 375.516 3.673 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000056574085 886269076 /nfs/dbraw/zinc/26/90/76/886269076.db2.gz KOPQAULBTDDDSG-UHFFFAOYSA-N 1 0 398.551 3.744 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c(-c2ccccc2)n1 ZINC000113321020 886289586 /nfs/dbraw/zinc/28/95/86/886289586.db2.gz NFKKWGGHLCTDBB-UHFFFAOYSA-N 1 0 396.498 3.998 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000498994732 886298872 /nfs/dbraw/zinc/29/88/72/886298872.db2.gz ASNUKKIJVGZCJB-UTKZUKDTSA-N 1 0 380.488 3.739 20 30 GHEDRO C#CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000862575913 886468750 /nfs/dbraw/zinc/46/87/50/886468750.db2.gz AJBKTUAFCHLHKC-HMXCVIKNSA-N 1 0 378.541 3.836 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H]1[NH+](C)C ZINC000495711183 886500140 /nfs/dbraw/zinc/50/01/40/886500140.db2.gz DCAKUKOVPQBHSU-AZUAARDMSA-N 1 0 399.491 3.607 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)C1CCOCC1 ZINC000925275075 886537834 /nfs/dbraw/zinc/53/78/34/886537834.db2.gz HVXPAQIKBTWMTQ-IRXDYDNUSA-N 1 0 379.545 3.711 20 30 GHEDRO N#CCCCOc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000121217376 886547052 /nfs/dbraw/zinc/54/70/52/886547052.db2.gz YCBUQTQDETYGPH-UHFFFAOYSA-N 1 0 377.488 3.717 20 30 GHEDRO C[NH+]=C(NCc1ncccc1C)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000153598037 886552791 /nfs/dbraw/zinc/55/27/91/886552791.db2.gz DUPZQEBADYCDOW-GOSISDBHSA-N 1 0 392.425 3.558 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000556898869 886566326 /nfs/dbraw/zinc/56/63/26/886566326.db2.gz TYMOZUCCUYUCJH-LBTNJELSSA-N 1 0 397.548 3.993 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000808670606 886664608 /nfs/dbraw/zinc/66/46/08/886664608.db2.gz KSPCJZONFLWMLG-HBNJSIALSA-N 1 0 383.879 3.675 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1OCC ZINC000057552323 886714806 /nfs/dbraw/zinc/71/48/06/886714806.db2.gz KNWOVTFOVQAUAW-SJORKVTESA-N 1 0 387.524 3.866 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001168524909 886752286 /nfs/dbraw/zinc/75/22/86/886752286.db2.gz PVXIDEYLOVAESL-IRXDYDNUSA-N 1 0 382.426 3.958 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000808843513 886865378 /nfs/dbraw/zinc/86/53/78/886865378.db2.gz PTALMRXGVRSXFV-AOIWGVFYSA-N 1 0 378.476 3.762 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000126167138 886938828 /nfs/dbraw/zinc/93/88/28/886938828.db2.gz ODAHPJYZOHTMFO-QKDPSFTKSA-N 1 0 375.472 3.518 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000272276059 887049466 /nfs/dbraw/zinc/04/94/66/887049466.db2.gz OAGXTCJVPSHHQE-OAHLLOKOSA-N 1 0 379.460 3.571 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670209794 887073638 /nfs/dbraw/zinc/07/36/38/887073638.db2.gz JGTPRLSZOLFGCU-HXUWFJFHSA-N 1 0 395.551 3.806 20 30 GHEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000863390984 887081772 /nfs/dbraw/zinc/08/17/72/887081772.db2.gz NYDSQBXNAPGOFO-SIKLNZKXSA-N 1 0 380.488 3.701 20 30 GHEDRO C[C@@H]1CN(c2ccccc2C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CCO1 ZINC000459328205 887407769 /nfs/dbraw/zinc/40/77/69/887407769.db2.gz OVBFEVFROISBKY-LJQANCHMSA-N 1 0 391.515 3.827 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000542578617 887440115 /nfs/dbraw/zinc/44/01/15/887440115.db2.gz PNAOHDXTLZDLJZ-LSDHHAIUSA-N 1 0 375.538 3.622 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 ZINC000809550248 887565225 /nfs/dbraw/zinc/56/52/25/887565225.db2.gz ZHKNRKVNYJCAHC-QGZVFWFLSA-N 1 0 398.304 3.676 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1 ZINC000809549726 887565676 /nfs/dbraw/zinc/56/56/76/887565676.db2.gz SZOYRHDLFRZHDR-UHFFFAOYSA-N 1 0 398.304 3.676 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000809616721 887589747 /nfs/dbraw/zinc/58/97/47/887589747.db2.gz WGDKSXCJQPTSFR-UHFFFAOYSA-N 1 0 376.497 3.578 20 30 GHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc2ccccc2n1CC#N ZINC000729652381 887700313 /nfs/dbraw/zinc/70/03/13/887700313.db2.gz TXMLJGZLWJQGOJ-DENIHFKCSA-N 1 0 384.483 3.921 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)CC1 ZINC000171741924 887737889 /nfs/dbraw/zinc/73/78/89/887737889.db2.gz SZTZDBNHXODTSJ-FQEVSTJZSA-N 1 0 381.524 3.553 20 30 GHEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000809717105 887739160 /nfs/dbraw/zinc/73/91/60/887739160.db2.gz XOICWQQALFVFQQ-IBGZPJMESA-N 1 0 394.515 3.576 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc(OC)c1O ZINC000809772712 887763103 /nfs/dbraw/zinc/76/31/03/887763103.db2.gz YDYQSHRSOOOJTR-YOEHRIQHSA-N 1 0 376.497 3.617 20 30 GHEDRO Cc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)cc1F ZINC000015247822 887938829 /nfs/dbraw/zinc/93/88/29/887938829.db2.gz IPTUAXFXUSGWJU-UHFFFAOYSA-O 1 0 395.479 3.965 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1C ZINC000809992546 888047385 /nfs/dbraw/zinc/04/73/85/888047385.db2.gz MVTUHORHMKFULS-QHCPKHFHSA-N 1 0 393.531 3.900 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(Br)cc3C)CC2)C1=O ZINC001275307293 913215564 /nfs/dbraw/zinc/21/55/64/913215564.db2.gz CHIBWUSJLZFIIG-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO N#CC1(CCC[NH2+][C@H]2CCOc3c(Br)cccc32)CCOCC1 ZINC000282123772 888167501 /nfs/dbraw/zinc/16/75/01/888167501.db2.gz QVGPTWCYMJWYJX-INIZCTEOSA-N 1 0 379.298 3.963 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000810128652 888195018 /nfs/dbraw/zinc/19/50/18/888195018.db2.gz IOISQZYJQXCSFX-ROUUACIJSA-N 1 0 396.535 3.585 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)c(C(F)(F)F)c1 ZINC000810134591 888202928 /nfs/dbraw/zinc/20/29/28/888202928.db2.gz UXZREOWRLLXENP-UHFFFAOYSA-N 1 0 375.350 3.823 20 30 GHEDRO C#Cc1ccccc1CC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000810174184 888257250 /nfs/dbraw/zinc/25/72/50/888257250.db2.gz PVOFTMLWJNAEFT-JOCHJYFZSA-N 1 0 376.500 3.562 20 30 GHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000053720628 888384421 /nfs/dbraw/zinc/38/44/21/888384421.db2.gz DXFSCXYJAINENR-QGZVFWFLSA-N 1 0 393.487 3.959 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000205555710 888460572 /nfs/dbraw/zinc/46/05/72/888460572.db2.gz CPPBWEFWJZYGSX-FPISAVPCSA-N 1 0 386.517 3.754 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+]C3CCN(c4ccccc4C#N)CC3)s2)cn1 ZINC000865696019 888519422 /nfs/dbraw/zinc/51/94/22/888519422.db2.gz SNOQHHXYQGJPCR-UHFFFAOYSA-N 1 0 377.517 3.779 20 30 GHEDRO CN(c1ccccc1C=NNC(=S)Nc1ccccc1F)C1CC[NH+](C)CC1 ZINC000915936816 888578651 /nfs/dbraw/zinc/57/86/51/888578651.db2.gz BYUSTOPVQANCCX-UHFFFAOYSA-N 1 0 399.539 3.677 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000153923923 888864316 /nfs/dbraw/zinc/86/43/16/888864316.db2.gz UQUSOULUXZEDPS-YWZLYKJASA-N 1 0 396.560 3.641 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000153923804 888864589 /nfs/dbraw/zinc/86/45/89/888864589.db2.gz UQUSOULUXZEDPS-MGPUTAFESA-N 1 0 396.560 3.641 20 30 GHEDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866445497 888881528 /nfs/dbraw/zinc/88/15/28/888881528.db2.gz LCEIFLPKXKYACL-KRWDZBQOSA-N 1 0 392.503 3.543 20 30 GHEDRO CC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)c2ccccc2C1 ZINC000866449501 888883473 /nfs/dbraw/zinc/88/34/73/888883473.db2.gz WSBFRAGSKSUPHC-QHCPKHFHSA-N 1 0 388.515 3.610 20 30 GHEDRO COc1ccc(C(C)=NNC(=S)Nc2cccnc2)cc1C[NH+]1CCCCC1 ZINC000916298787 888898975 /nfs/dbraw/zinc/89/89/75/888898975.db2.gz UUZUVVPESMDXNA-UHFFFAOYSA-N 1 0 397.548 3.787 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000866495691 888904203 /nfs/dbraw/zinc/90/42/03/888904203.db2.gz QWGUSVAXVTXSES-FDDCHVKYSA-N 1 0 386.503 3.521 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cc(C)oc1C ZINC000916306924 888908728 /nfs/dbraw/zinc/90/87/28/888908728.db2.gz HJZHLVUOMKUPFK-UHFFFAOYSA-N 1 0 384.549 3.749 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000810843531 888934644 /nfs/dbraw/zinc/93/46/44/888934644.db2.gz GAEAEBLEZBILQZ-IRLDBZIGSA-N 1 0 376.456 3.921 20 30 GHEDRO CC[C@H](C)[N@H+](CCCOc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121207418 889029471 /nfs/dbraw/zinc/02/94/71/889029471.db2.gz MXUIRDIDFHTBAC-KRWDZBQOSA-N 1 0 390.487 3.864 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000454455405 889064001 /nfs/dbraw/zinc/06/40/01/889064001.db2.gz BYZROUWVMBFSNB-ZDUSSCGKSA-N 1 0 398.320 3.989 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000810991726 889081447 /nfs/dbraw/zinc/08/14/47/889081447.db2.gz AGRFDDJBUJIXPS-IBGZPJMESA-N 1 0 389.862 3.548 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763408102 889232527 /nfs/dbraw/zinc/23/25/27/889232527.db2.gz PBAOGSWXAOMWHC-NJDAHSKKSA-N 1 0 399.535 3.703 20 30 GHEDRO N#Cc1ccc([C@H](O)CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000763413192 889241006 /nfs/dbraw/zinc/24/10/06/889241006.db2.gz HSKZPTFBYHPPGJ-RPWUZVMVSA-N 1 0 375.516 3.580 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000465529370 889251469 /nfs/dbraw/zinc/25/14/69/889251469.db2.gz WHNYHUJESVEKEK-PKTZIBPZSA-N 1 0 388.515 3.526 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C(F)(F)F)c1 ZINC000868208835 889352558 /nfs/dbraw/zinc/35/25/58/889352558.db2.gz CLESLQHSEVJCAF-QZTJIDSGSA-N 1 0 390.409 3.941 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C(F)(F)F)c1 ZINC000868210778 889354270 /nfs/dbraw/zinc/35/42/70/889354270.db2.gz QPPVMESEOIFZHG-ZWKOTPCHSA-N 1 0 394.441 3.583 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000533031055 889577065 /nfs/dbraw/zinc/57/70/65/889577065.db2.gz JXRQRHAHPMVBQI-JOCHJYFZSA-N 1 0 397.482 3.834 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000063402964 889603223 /nfs/dbraw/zinc/60/32/23/889603223.db2.gz NQCAHVPHYHEODL-NRFANRHFSA-N 1 0 380.467 3.698 20 30 GHEDRO C=CCSc1ccccc1NC(=O)COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811448841 889607265 /nfs/dbraw/zinc/60/72/65/889607265.db2.gz CGIXPBSRFYXOPK-FQEVSTJZSA-N 1 0 394.512 3.659 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000533053867 889633551 /nfs/dbraw/zinc/63/35/51/889633551.db2.gz LZHMRXWWVXPPFU-BDTNDASRSA-N 1 0 396.579 3.887 20 30 GHEDRO COc1ccc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1C#N ZINC000533079878 889704238 /nfs/dbraw/zinc/70/42/38/889704238.db2.gz IAASKHIQGFVDLQ-HKUYNNGSSA-N 1 0 377.271 3.964 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001132877067 889747795 /nfs/dbraw/zinc/74/77/95/889747795.db2.gz DOQNXGHJXCYVGT-JOCHJYFZSA-N 1 0 388.515 3.641 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@]2(COC)OCCc3ccccc32)c(O)c1 ZINC000811624695 889793983 /nfs/dbraw/zinc/79/39/83/889793983.db2.gz NLIZBZKBMDTXJY-DGEAWOGYSA-N 1 0 382.504 3.772 20 30 GHEDRO C=CC[C@H](CC)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454905847 889949766 /nfs/dbraw/zinc/94/97/66/889949766.db2.gz GZFIMRLXHZYRCV-SFTDATJTSA-N 1 0 385.552 3.569 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000811897266 890097764 /nfs/dbraw/zinc/09/77/64/890097764.db2.gz RUGZBWPIBSDHQD-HRAATJIYSA-N 1 0 396.922 3.934 20 30 GHEDRO N#Cc1cccc(C2(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC000533259242 890118160 /nfs/dbraw/zinc/11/81/60/890118160.db2.gz LWZDQBUTDUJTML-NOTZXAQLSA-N 1 0 385.511 3.902 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000154159470 890154502 /nfs/dbraw/zinc/15/45/02/890154502.db2.gz XFFQPKAGJOMSOD-INIZCTEOSA-N 1 0 379.909 3.942 20 30 GHEDRO C=C(C)COCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000125798611 890159051 /nfs/dbraw/zinc/15/90/51/890159051.db2.gz CREDIZKZBINFBB-UHFFFAOYSA-N 1 0 393.119 3.903 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])C(C)C ZINC001184775788 913425885 /nfs/dbraw/zinc/42/58/85/913425885.db2.gz UDUQKDUDFCHWAX-HNNXBMFYSA-N 1 0 383.290 3.863 20 30 GHEDRO C=CC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000533325710 890278962 /nfs/dbraw/zinc/27/89/62/890278962.db2.gz GWWDPQOPXXIJII-KRWDZBQOSA-N 1 0 377.879 3.916 20 30 GHEDRO N#Cc1ccc(CNC(=O)CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000533355975 890366344 /nfs/dbraw/zinc/36/63/44/890366344.db2.gz GYLMUIJQHBPDPT-UHFFFAOYSA-N 1 0 388.446 3.584 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000795129880 890409536 /nfs/dbraw/zinc/40/95/36/890409536.db2.gz AXZGEBUVEMQJQH-QHCPKHFHSA-N 1 0 391.584 3.750 20 30 GHEDRO C=CCC1(CNC(=O)N2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)CCCC1 ZINC000455483090 891033375 /nfs/dbraw/zinc/03/33/75/891033375.db2.gz UHDSUBGGKDITJT-GOSISDBHSA-N 1 0 389.544 3.510 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)C(C)C ZINC000455498184 891037944 /nfs/dbraw/zinc/03/79/44/891037944.db2.gz CCAXLMASQOYTFX-GUDVDZBRSA-N 1 0 391.581 3.966 20 30 GHEDRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000533689467 891120911 /nfs/dbraw/zinc/12/09/11/891120911.db2.gz DPTDVWIGWVYQFP-KRWDZBQOSA-N 1 0 383.923 3.981 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](CC[NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000872221110 891213343 /nfs/dbraw/zinc/21/33/43/891213343.db2.gz WBADBAQIWNCXMD-DLBZAZTESA-N 1 0 385.508 3.560 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872280451 891226680 /nfs/dbraw/zinc/22/66/80/891226680.db2.gz RFXXAZVMTLEPBT-OALUTQOASA-N 1 0 390.487 3.647 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168268659 891241679 /nfs/dbraw/zinc/24/16/79/891241679.db2.gz QSGBTUWPTMUIEV-FQEVSTJZSA-N 1 0 393.531 3.530 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)OCC ZINC000533709690 891250441 /nfs/dbraw/zinc/25/04/41/891250441.db2.gz DWQIDQKVUAWADI-FQEVSTJZSA-N 1 0 387.524 3.811 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000747838866 891294810 /nfs/dbraw/zinc/29/48/10/891294810.db2.gz PHJIVMIHHZYXKX-UHFFFAOYSA-N 1 0 384.867 3.894 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000287814391 913548141 /nfs/dbraw/zinc/54/81/41/913548141.db2.gz PDMUPYXYBDTJNY-RTWAWAEBSA-N 1 0 380.492 3.642 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000287836226 913556378 /nfs/dbraw/zinc/55/63/78/913556378.db2.gz VXCQUQXDZMUBNI-BEFAXECRSA-N 1 0 395.532 3.696 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653710919 891541749 /nfs/dbraw/zinc/54/17/49/891541749.db2.gz FRGBQCLEEMLNGY-APWZRJJASA-N 1 0 386.565 3.510 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873700267 891764618 /nfs/dbraw/zinc/76/46/18/891764618.db2.gz TYOOPRLYOPGYTJ-RTBURBONSA-N 1 0 387.572 3.939 20 30 GHEDRO C#CCN(C(=O)COc1ccc2oc3ccccc3c2c1)C1CC[NH+](C)CC1 ZINC001134044444 892207421 /nfs/dbraw/zinc/20/74/21/892207421.db2.gz XHBKGSIQXRXWCI-UHFFFAOYSA-N 1 0 376.456 3.521 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814176116 892329332 /nfs/dbraw/zinc/32/93/32/892329332.db2.gz MPKFSQZXXAMWHH-FPOVZHCZSA-N 1 0 398.551 3.868 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508689247 892637626 /nfs/dbraw/zinc/63/76/26/892637626.db2.gz QTVONXKJRBBAOD-HXUWFJFHSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508694939 892654407 /nfs/dbraw/zinc/65/44/07/892654407.db2.gz CVYVJEMDTXJUDN-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCOc1ccc(COC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000875554819 892683554 /nfs/dbraw/zinc/68/35/54/892683554.db2.gz AMLGHUIPBAEACO-YADHBBJMSA-N 1 0 397.519 3.542 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)cc1 ZINC000876110690 892972245 /nfs/dbraw/zinc/97/22/45/892972245.db2.gz HKVRBFAJEFDNLY-UHFFFAOYSA-N 1 0 398.551 3.885 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000288304399 913724536 /nfs/dbraw/zinc/72/45/36/913724536.db2.gz CFMXUXHLQWDNSB-UHFFFAOYSA-N 1 0 394.494 3.674 20 30 GHEDRO CC(C)(C)OC(=O)NC(=C[NH2+]Nc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000814681746 893064433 /nfs/dbraw/zinc/06/44/33/893064433.db2.gz AONYWSNWVQBXAD-NSHDSACASA-N 1 0 376.335 3.838 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508747618 893155621 /nfs/dbraw/zinc/15/56/21/893155621.db2.gz OMRCQWCVCGLPAF-SFHVURJKSA-N 1 0 392.551 3.704 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814770800 893157836 /nfs/dbraw/zinc/15/78/36/893157836.db2.gz NMCKYOOMOXZJLF-QGZVFWFLSA-N 1 0 389.503 3.869 20 30 GHEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000933718337 893171158 /nfs/dbraw/zinc/17/11/58/893171158.db2.gz WMTBDLPFCXQDQY-OAHLLOKOSA-N 1 0 376.382 3.625 20 30 GHEDRO CC(N=Nc1ncnc2c1cnn2-c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000814803315 893213648 /nfs/dbraw/zinc/21/36/48/893213648.db2.gz PGOBWPIFIDTVPO-UHFFFAOYSA-N 1 0 385.475 3.713 20 30 GHEDRO CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814848365 893235323 /nfs/dbraw/zinc/23/53/23/893235323.db2.gz INNVAKLJQCMINJ-UHFFFAOYSA-N 1 0 381.867 3.914 20 30 GHEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000562987351 893246970 /nfs/dbraw/zinc/24/69/70/893246970.db2.gz HMPMQPXQWHFILW-IBGZPJMESA-N 1 0 392.330 3.879 20 30 GHEDRO CN(Cc1cc(C#N)cnc1Cl)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000876794986 893330346 /nfs/dbraw/zinc/33/03/46/893330346.db2.gz INEAEYKCGVZKNW-UHFFFAOYSA-N 1 0 378.904 3.874 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1Cl ZINC000563068263 893336041 /nfs/dbraw/zinc/33/60/41/893336041.db2.gz MFCALBOSXVIGID-XLIONFOSSA-N 1 0 389.927 3.786 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000876907637 893383149 /nfs/dbraw/zinc/38/31/49/893383149.db2.gz HBPLKYJGPLWFIG-JKSUJKDBSA-N 1 0 392.862 3.789 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000876946654 893398926 /nfs/dbraw/zinc/39/89/26/893398926.db2.gz UOTQWJJAXOPHIU-KZNAEPCWSA-N 1 0 389.515 3.628 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2F)CC1 ZINC000825922044 893410141 /nfs/dbraw/zinc/41/01/41/893410141.db2.gz GCAKYKRLCBFVMS-UHFFFAOYSA-N 1 0 384.430 3.619 20 30 GHEDRO Cc1cc([C@H]([NH3+])CC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc(Cl)n1 ZINC000876986538 893421595 /nfs/dbraw/zinc/42/15/95/893421595.db2.gz HORSCJVYVSOBKE-LJQANCHMSA-N 1 0 384.911 3.990 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C1 ZINC001137115586 893466888 /nfs/dbraw/zinc/46/68/88/893466888.db2.gz XADXXUHKCXJPJN-UHFFFAOYSA-N 1 0 385.508 3.668 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071024 893468952 /nfs/dbraw/zinc/46/89/52/893468952.db2.gz BLHKXGWRZKGBOT-IAGOWNOFSA-N 1 0 393.478 3.945 20 30 GHEDRO C=CC[N@H+](Cc1cnc2ccc(Cl)cn12)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536677131 893517632 /nfs/dbraw/zinc/51/76/32/893517632.db2.gz WASZULBTKYOFOB-HNNXBMFYSA-N 1 0 393.882 3.713 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000563262469 893540898 /nfs/dbraw/zinc/54/08/98/893540898.db2.gz OSEJGQQFUHVFON-KRWDZBQOSA-N 1 0 399.897 3.844 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000815202352 893595596 /nfs/dbraw/zinc/59/55/96/893595596.db2.gz XUGMYRZXHNLXRQ-ACRUOGEOSA-N 1 0 399.535 3.703 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000877569889 893695995 /nfs/dbraw/zinc/69/59/95/893695995.db2.gz CNDQRQQPZWWSMM-ZWKOTPCHSA-N 1 0 379.545 3.855 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000934557370 893712510 /nfs/dbraw/zinc/71/25/10/893712510.db2.gz OYRDLRVCMZSISX-ZIAGYGMSSA-N 1 0 397.548 3.783 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c(C#N)c1C ZINC000563504462 893840693 /nfs/dbraw/zinc/84/06/93/893840693.db2.gz LDGFLRZYNJMOIQ-ZDUSSCGKSA-N 1 0 397.479 3.851 20 30 GHEDRO N#C[C@]1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC12CCCC2 ZINC000556129665 893862566 /nfs/dbraw/zinc/86/25/66/893862566.db2.gz JSSXJYYJOJNSDI-QHCPKHFHSA-N 1 0 394.519 3.914 20 30 GHEDRO OC[C@@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000563571154 893917551 /nfs/dbraw/zinc/91/75/51/893917551.db2.gz LGABTVOESHEHFT-RYUDHWBXSA-N 1 0 389.311 3.760 20 30 GHEDRO C#CCC1(O)CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000877979263 893925901 /nfs/dbraw/zinc/92/59/01/893925901.db2.gz IANDUPQFDWFQHK-UHFFFAOYSA-N 1 0 383.536 3.833 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878021479 893954331 /nfs/dbraw/zinc/95/43/31/893954331.db2.gz HKZLOFHZBYFTLK-CVDCTZTESA-N 1 0 399.535 3.664 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000878150317 894053474 /nfs/dbraw/zinc/05/34/74/894053474.db2.gz IQJUEMDZLWDHHC-ZCYQVOJMSA-N 1 0 389.543 3.881 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cc(C)ccc2OC)cc1 ZINC000459700672 894095376 /nfs/dbraw/zinc/09/53/76/894095376.db2.gz SWBYURKGEYWGFQ-SFHVURJKSA-N 1 0 395.503 4.000 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459716620 894096604 /nfs/dbraw/zinc/09/66/04/894096604.db2.gz PYKIUOKWUAQVDX-LSDHHAIUSA-N 1 0 394.313 3.762 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459716617 894096808 /nfs/dbraw/zinc/09/68/08/894096808.db2.gz PYKIUOKWUAQVDX-CABCVRRESA-N 1 0 394.313 3.762 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000536963368 894144457 /nfs/dbraw/zinc/14/44/57/894144457.db2.gz BCTHFUOHEDNGSS-NHCUHLMSSA-N 1 0 376.504 3.897 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000537062653 894280812 /nfs/dbraw/zinc/28/08/12/894280812.db2.gz BCKHSDRNPMLFHK-OAQYLSRUSA-N 1 0 394.906 3.869 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc(CC)cc2)cc1 ZINC000022692341 894283704 /nfs/dbraw/zinc/28/37/04/894283704.db2.gz XWBQAIQVGPQJHA-FQEVSTJZSA-O 1 0 397.564 3.806 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC000778318652 894313932 /nfs/dbraw/zinc/31/39/32/894313932.db2.gz QBYMAKWMUUQGBH-QGZVFWFLSA-N 1 0 390.487 3.619 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000537090854 894327521 /nfs/dbraw/zinc/32/75/21/894327521.db2.gz CSCYWKGAIZHXEE-IHWFROFDSA-N 1 0 377.488 3.572 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000537123352 894347010 /nfs/dbraw/zinc/34/70/10/894347010.db2.gz OXICIDNMUCIPJV-NRFANRHFSA-N 1 0 386.492 3.992 20 30 GHEDRO N#CC1(CC[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCCCC1 ZINC000563942353 894354112 /nfs/dbraw/zinc/35/41/12/894354112.db2.gz UZYCRFAGDCNRRY-UHFFFAOYSA-N 1 0 387.475 3.933 20 30 GHEDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CCC(=O)N(C)CCC#N)c1 ZINC000537156923 894428217 /nfs/dbraw/zinc/42/82/17/894428217.db2.gz FUBSKYTXQXYUKJ-HSZRJFAPSA-N 1 0 393.531 3.948 20 30 GHEDRO COc1ccccc1O[C@H]1CCC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878610886 894440044 /nfs/dbraw/zinc/44/00/44/894440044.db2.gz GNINMGZUGMSXMO-URXFXBBRSA-N 1 0 392.499 3.979 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccccc1 ZINC000878636393 894473852 /nfs/dbraw/zinc/47/38/52/894473852.db2.gz HRVRDUHZRQWXTB-JWQCQUIFSA-N 1 0 390.527 3.744 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C1CCOCC1 ZINC000537217837 894581657 /nfs/dbraw/zinc/58/16/57/894581657.db2.gz AELCOTQEPZNCCN-IBGZPJMESA-N 1 0 377.916 3.690 20 30 GHEDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000537407526 894927911 /nfs/dbraw/zinc/92/79/11/894927911.db2.gz QCRDGZXGFDWZAA-FZMZJTMJSA-N 1 0 375.806 3.946 20 30 GHEDRO C=CCNC(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000537413309 894934691 /nfs/dbraw/zinc/93/46/91/894934691.db2.gz KHPBUGDBZSTMCV-UHFFFAOYSA-N 1 0 386.455 3.677 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816563416 894945554 /nfs/dbraw/zinc/94/55/54/894945554.db2.gz XGJPXUMLCFHNIJ-CQSZACIVSA-N 1 0 382.426 3.902 20 30 GHEDRO CC[C@@H](NC(=S)Nc1ccccc1C#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000760296679 895032165 /nfs/dbraw/zinc/03/21/65/895032165.db2.gz KPKWFQDUGLHLHJ-TZIWHRDSSA-N 1 0 394.544 3.524 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(CCC#N)CC1)c1cccc(OC)c1 ZINC000564889651 895303517 /nfs/dbraw/zinc/30/35/17/895303517.db2.gz CZZLPCFAFYWRLI-OAQYLSRUSA-N 1 0 386.540 3.803 20 30 GHEDRO C[NH+](C)CCOc1cnccc1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000564891712 895304686 /nfs/dbraw/zinc/30/46/86/895304686.db2.gz YIGPNGWJQCPKIL-UHFFFAOYSA-N 1 0 381.867 3.707 20 30 GHEDRO CON=Cc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000817097993 895337707 /nfs/dbraw/zinc/33/77/07/895337707.db2.gz UCUWUNVLCZTEKB-UHFFFAOYSA-N 1 0 391.515 3.795 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC12CC[NH+](CCCOc1ccc(C#N)cc1)CC2 ZINC000817286208 895437386 /nfs/dbraw/zinc/43/73/86/895437386.db2.gz DEBXDOYWJNPWJO-UHFFFAOYSA-N 1 0 385.508 3.803 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H]1C(F)(F)F ZINC000880025243 895460370 /nfs/dbraw/zinc/46/03/70/895460370.db2.gz USBCBCDVHUWHAF-IRXDYDNUSA-N 1 0 397.441 3.888 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000565506044 895682752 /nfs/dbraw/zinc/68/27/52/895682752.db2.gz ROYKVZLTXUXIKN-QHCPKHFHSA-N 1 0 380.488 3.765 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCCOC1 ZINC000880468416 895721145 /nfs/dbraw/zinc/72/11/45/895721145.db2.gz DAJBCAIFPNHCJS-ZACQAIPSSA-N 1 0 375.538 3.814 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCOC1 ZINC000880468735 895721585 /nfs/dbraw/zinc/72/15/85/895721585.db2.gz GIWIBCMZGSFCKJ-IKGGRYGDSA-N 1 0 375.538 3.672 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@@H]1CCCOC1 ZINC000880467615 895721624 /nfs/dbraw/zinc/72/16/24/895721624.db2.gz GGGQLFFCAUCVDH-YLJYHZDGSA-N 1 0 386.540 3.825 20 30 GHEDRO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000565779161 895871073 /nfs/dbraw/zinc/87/10/73/895871073.db2.gz SJYNIHMXHUPWQE-OPAMFIHVSA-N 1 0 393.491 3.907 20 30 GHEDRO C=CCN(CC=C)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000565849751 895929629 /nfs/dbraw/zinc/92/96/29/895929629.db2.gz JKLBCDGVPZDWMP-QGZVFWFLSA-N 1 0 393.487 3.949 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)CC2 ZINC000565862682 895940731 /nfs/dbraw/zinc/94/07/31/895940731.db2.gz BJXAJAKCYSPHSI-UZLBHIALSA-N 1 0 390.405 3.885 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000565971559 896017558 /nfs/dbraw/zinc/01/75/58/896017558.db2.gz HLKOHHXGDLLGES-PXNSSMCTSA-N 1 0 380.488 3.739 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000818100600 896026224 /nfs/dbraw/zinc/02/62/24/896026224.db2.gz HMSBBVCYVVMDFY-KRWDZBQOSA-N 1 0 377.492 3.535 20 30 GHEDRO COc1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1OC(F)F ZINC000566036290 896061679 /nfs/dbraw/zinc/06/16/79/896061679.db2.gz AVEPZANUHAXDGE-UHFFFAOYSA-N 1 0 389.446 3.732 20 30 GHEDRO COc1cncc(/C=C/CC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000566155205 896147347 /nfs/dbraw/zinc/14/73/47/896147347.db2.gz BBYXQINUMMUNCL-GQCTYLIASA-N 1 0 399.498 3.736 20 30 GHEDRO N#CCc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000881143087 896195247 /nfs/dbraw/zinc/19/52/47/896195247.db2.gz SSTGBBSFPXFCMA-LJQANCHMSA-N 1 0 389.503 3.571 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1sc2ccc(Br)cc2c1C ZINC000818609008 896235345 /nfs/dbraw/zinc/23/53/45/896235345.db2.gz FXNUMLNOKJPKHB-UHFFFAOYSA-N 1 0 379.323 3.657 20 30 GHEDRO N#CCCC1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000566558763 896377413 /nfs/dbraw/zinc/37/74/13/896377413.db2.gz NUMFBAVGGOXJBN-UHFFFAOYSA-N 1 0 386.462 3.517 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000566694865 896499698 /nfs/dbraw/zinc/49/96/98/896499698.db2.gz VHTSFXLUJZIOHK-JTSKRJEESA-N 1 0 391.490 3.898 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000819272324 896559409 /nfs/dbraw/zinc/55/94/09/896559409.db2.gz RMTGVSBNVPFIJY-AWEZNQCLSA-N 1 0 385.986 3.534 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H]([NH+](CC)CC)C2)s1 ZINC000819332031 896575439 /nfs/dbraw/zinc/57/54/39/896575439.db2.gz HWZFKJOIHYEQHD-AWEZNQCLSA-N 1 0 388.002 3.781 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3(C#N)CCSCC3)cc2)C1 ZINC001136252943 896880187 /nfs/dbraw/zinc/88/01/87/896880187.db2.gz TWFPQTLHGKXSFJ-HDICACEKSA-N 1 0 385.577 3.818 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000819736953 896961436 /nfs/dbraw/zinc/96/14/36/896961436.db2.gz RDFWETSTFWNIBA-HGZMWJMZSA-N 1 0 377.488 3.731 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H](c3ccncc3)C2)ccc1Cl ZINC000567246643 897004174 /nfs/dbraw/zinc/00/41/74/897004174.db2.gz PUBVYVWCHIIDCV-GOSISDBHSA-N 1 0 382.895 3.780 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001276323819 914130051 /nfs/dbraw/zinc/13/00/51/914130051.db2.gz GVMOIQDJRAGWGQ-HXUWFJFHSA-N 1 0 397.346 3.663 20 30 GHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[NH+]1CCCCCCC1)CCCC2 ZINC000042122045 897178527 /nfs/dbraw/zinc/17/85/27/897178527.db2.gz YHLXHBIEFCPGKU-SFHVURJKSA-N 1 0 398.551 3.622 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3c(C#N)cnc4c(Cl)cccc43)cn2)CC1 ZINC000567583666 897271069 /nfs/dbraw/zinc/27/10/69/897271069.db2.gz CXYXAJWSFKHBAU-UHFFFAOYSA-N 1 0 392.894 3.519 20 30 GHEDRO CC1(c2cccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c2)OCCO1 ZINC000883128360 897304801 /nfs/dbraw/zinc/30/48/01/897304801.db2.gz CWMMJRBICVMOOK-UHFFFAOYSA-N 1 0 391.515 3.532 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000131104284 897321563 /nfs/dbraw/zinc/32/15/63/897321563.db2.gz SRKVUMVPBQOEGG-UHFFFAOYSA-N 1 0 392.551 3.671 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@H]([C@@H]2CCOC2)C1 ZINC000883221020 897381358 /nfs/dbraw/zinc/38/13/58/897381358.db2.gz SPXQVZNRRXZJFF-PBDJWPIDSA-N 1 0 391.556 3.568 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)CCC/N=C/c2cccc(OC)c2O)cc1 ZINC000132446934 897790861 /nfs/dbraw/zinc/79/08/61/897790861.db2.gz HYZCVNFSMXSMOW-LGVXEURYSA-N 1 0 384.476 3.876 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000568483734 897880897 /nfs/dbraw/zinc/88/08/97/897880897.db2.gz OQWPTPFUSUDFIG-UHFFFAOYSA-N 1 0 399.292 3.879 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000568567404 897942956 /nfs/dbraw/zinc/94/29/56/897942956.db2.gz WKWYXTSMIUUUGF-MJGOQNOKSA-N 1 0 393.384 3.973 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000568620985 897987809 /nfs/dbraw/zinc/98/78/09/897987809.db2.gz TXKZNRZHTGYHMW-KRWDZBQOSA-N 1 0 395.311 3.916 20 30 GHEDRO C=C(Br)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001136479345 898003669 /nfs/dbraw/zinc/00/36/69/898003669.db2.gz IBALRFUWHHPIEE-RBUKOAKNSA-N 1 0 391.353 3.950 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000568743863 898077676 /nfs/dbraw/zinc/07/76/76/898077676.db2.gz YEBGMWRBHBJNNW-DYESRHJHSA-N 1 0 399.510 3.742 20 30 GHEDRO N#CC[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC001136529899 898176203 /nfs/dbraw/zinc/17/62/03/898176203.db2.gz SSBXZBXJMSLZKD-HSZRJFAPSA-N 1 0 375.516 3.851 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000805785391 898297415 /nfs/dbraw/zinc/29/74/15/898297415.db2.gz DZQONNPJHSPBOG-HSZRJFAPSA-N 1 0 377.532 3.914 20 30 GHEDRO C#CCO[C@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000822355459 898345551 /nfs/dbraw/zinc/34/55/51/898345551.db2.gz PPCARYQXWGCWPV-LJQANCHMSA-N 1 0 376.500 3.604 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000822592481 898515367 /nfs/dbraw/zinc/51/53/67/898515367.db2.gz FOVXXKGYBSICQB-OAQYLSRUSA-N 1 0 399.535 3.531 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C1 ZINC000569360401 898575962 /nfs/dbraw/zinc/57/59/62/898575962.db2.gz RXMQXSSVLNEKCV-IBGZPJMESA-N 1 0 380.540 3.641 20 30 GHEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000569381985 898596212 /nfs/dbraw/zinc/59/62/12/898596212.db2.gz KNMKWYSNCIXFDN-UHFFFAOYSA-N 1 0 391.899 3.594 20 30 GHEDRO C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000884087376 898833626 /nfs/dbraw/zinc/83/36/26/898833626.db2.gz ATGGLFXCGFKJFY-XEMZOMDFSA-N 1 0 393.462 3.935 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)C2 ZINC000884095765 898856585 /nfs/dbraw/zinc/85/65/85/898856585.db2.gz YYBAROPPRXDNIZ-JRUGGJAYSA-N 1 0 397.881 3.824 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)CC[N@H+](C)C2CC2)cc1OC ZINC000569681276 898880576 /nfs/dbraw/zinc/88/05/76/898880576.db2.gz YGTIHRBAYIDSLJ-UHFFFAOYSA-N 1 0 383.330 3.549 20 30 GHEDRO C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Oc2ccccc2)cc1 ZINC000884117877 898944695 /nfs/dbraw/zinc/94/46/95/898944695.db2.gz OMVDCLJPBPGLLV-YJIIZRPXSA-N 1 0 375.472 3.795 20 30 GHEDRO C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Oc2ccccc2)cc1 ZINC000884117874 898944898 /nfs/dbraw/zinc/94/48/98/898944898.db2.gz OMVDCLJPBPGLLV-DGLPSNNLSA-N 1 0 375.472 3.795 20 30 GHEDRO C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Oc2ccccc2)cc1 ZINC000884117875 898945163 /nfs/dbraw/zinc/94/51/63/898945163.db2.gz OMVDCLJPBPGLLV-FHNOQDHRSA-N 1 0 375.472 3.795 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)ccc1C#N ZINC000569861221 898990958 /nfs/dbraw/zinc/99/09/58/898990958.db2.gz PSZAITVPNJVQDL-IFMALSPDSA-N 1 0 398.528 3.750 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc(-n3cccn3)c2)ccc1OC ZINC000133794232 899003975 /nfs/dbraw/zinc/00/39/75/899003975.db2.gz DHMCKLMDVXCCEA-FQEVSTJZSA-N 1 0 376.460 3.852 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000569997313 899062336 /nfs/dbraw/zinc/06/23/36/899062336.db2.gz SRJRSANLZWXWKU-UHFFFAOYSA-N 1 0 393.535 3.656 20 30 GHEDRO C=CCCC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC001136738013 899080881 /nfs/dbraw/zinc/08/08/81/899080881.db2.gz XJYMWYOHMKCOEM-XZOQPEGZSA-N 1 0 383.580 3.753 20 30 GHEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884149389 899088762 /nfs/dbraw/zinc/08/87/62/899088762.db2.gz JXMDJJQQDAENCU-YTISVTONSA-N 1 0 389.927 3.691 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC001136733260 899089953 /nfs/dbraw/zinc/08/99/53/899089953.db2.gz RSFAJJRDEKCAJG-FQEVSTJZSA-N 1 0 378.520 3.960 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000570089642 899116123 /nfs/dbraw/zinc/11/61/23/899116123.db2.gz DPDKDGFPFGLSCD-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884172375 899182545 /nfs/dbraw/zinc/18/25/45/899182545.db2.gz UBAWUSGKBLGFEM-IPXXKRIQSA-N 1 0 378.303 3.578 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000823801592 899267507 /nfs/dbraw/zinc/26/75/07/899267507.db2.gz JYFJADDQXWACDV-XUVXKRRUSA-N 1 0 390.572 3.522 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000570380972 899291656 /nfs/dbraw/zinc/29/16/56/899291656.db2.gz XENJWQLHAKFCBD-DLBZAZTESA-N 1 0 378.501 3.783 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)CC1 ZINC000116685314 899297945 /nfs/dbraw/zinc/29/79/45/899297945.db2.gz SDMLRMGTDORVRR-MHZLTWQESA-N 1 0 386.561 3.552 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3sccc3C(F)F)CC2)c1 ZINC000824252912 899495361 /nfs/dbraw/zinc/49/53/61/899495361.db2.gz IJFGVQBHJGAACC-UHFFFAOYSA-N 1 0 375.444 3.952 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](CNC(=[NH2+])Nc3ccc(C)c(C)c3)C2)c1 ZINC000134097573 899576790 /nfs/dbraw/zinc/57/67/90/899576790.db2.gz RIFCOLYWQNJFBV-QGZVFWFLSA-N 1 0 382.508 3.574 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)s1 ZINC000119535489 899633489 /nfs/dbraw/zinc/63/34/89/899633489.db2.gz VCFPJLKUQPJPCI-UHFFFAOYSA-N 1 0 375.881 3.829 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000571076954 899734145 /nfs/dbraw/zinc/73/41/45/899734145.db2.gz ZUWMSUSMVFQSQD-YADHBBJMSA-N 1 0 380.463 3.857 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000571076951 899735484 /nfs/dbraw/zinc/73/54/84/899735484.db2.gz ZUWMSUSMVFQSQD-FCHUYYIVSA-N 1 0 380.463 3.857 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(OCC(F)F)cc1)CCO2 ZINC001136938329 899796943 /nfs/dbraw/zinc/79/69/43/899796943.db2.gz RTLWWZANEMZGFO-GHTZIAJQSA-N 1 0 381.463 3.904 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000333109153 899968616 /nfs/dbraw/zinc/96/86/16/899968616.db2.gz GCFJOIBUPQVZSE-PBHICJAKSA-N 1 0 380.414 3.963 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1C#N ZINC000825290280 900072690 /nfs/dbraw/zinc/07/26/90/900072690.db2.gz SPFHVTASJOZAPA-RBUKOAKNSA-N 1 0 389.421 3.687 20 30 GHEDRO CC(C)(c1csc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1)c1ccccc1 ZINC000884450224 900087623 /nfs/dbraw/zinc/08/76/23/900087623.db2.gz BIQZYIVANWHAQZ-PKAMJGAUSA-N 1 0 380.517 3.547 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2OCC#N)cc1 ZINC000135321574 900223288 /nfs/dbraw/zinc/22/32/88/900223288.db2.gz HKXXDPFHXPASSE-UHFFFAOYSA-N 1 0 384.455 3.892 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000135326414 900224971 /nfs/dbraw/zinc/22/49/71/900224971.db2.gz DBQPNBGPSSOEAV-SFHVURJKSA-N 1 0 382.439 3.514 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000289938004 914437146 /nfs/dbraw/zinc/43/71/46/914437146.db2.gz WWDABGMBFHNDOZ-UHFFFAOYSA-N 1 0 393.482 3.654 20 30 GHEDRO N#Cc1cccc(Cl)c1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001143722858 900442590 /nfs/dbraw/zinc/44/25/90/900442590.db2.gz JNAHROZLWGDPPL-PKOBYXMFSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171111468 900608573 /nfs/dbraw/zinc/60/85/73/900608573.db2.gz SEDGMEYKURAFKB-NRFANRHFSA-N 1 0 393.918 3.963 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(F)c1F)[C@@H]2CC ZINC001143907927 900717810 /nfs/dbraw/zinc/71/78/10/900717810.db2.gz ZKYVUESVKFUUFB-UTKZUKDTSA-N 1 0 378.463 3.895 20 30 GHEDRO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 ZINC000574166673 900803503 /nfs/dbraw/zinc/80/35/03/900803503.db2.gz LLOJIQUPQCUPRK-UHFFFAOYSA-N 1 0 398.514 3.782 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCc2ccccc21 ZINC000844425043 900828073 /nfs/dbraw/zinc/82/80/73/900828073.db2.gz NTTGTUWIAJGOED-UZLBHIALSA-N 1 0 382.467 3.885 20 30 GHEDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000775010839 914482425 /nfs/dbraw/zinc/48/24/25/914482425.db2.gz FUCZUTQYCVKGQD-LJQANCHMSA-N 1 0 398.304 3.520 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)CCC1 ZINC000886290804 900919260 /nfs/dbraw/zinc/91/92/60/900919260.db2.gz OGIWHPNDMUHCCM-HXUWFJFHSA-N 1 0 394.494 3.907 20 30 GHEDRO C#CCC1([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CCOCC1 ZINC000886379369 900967036 /nfs/dbraw/zinc/96/70/36/900967036.db2.gz YWXAMMGVGDJPRF-UHFFFAOYSA-N 1 0 388.309 3.605 20 30 GHEDRO C=CCC(C)(C)C(=O)N(c1cc(-c2ccc(C[NH3+])cc2)nn(C)c1=O)C(C)(C)C ZINC001144078167 901044239 /nfs/dbraw/zinc/04/42/39/901044239.db2.gz WIPLXIJSGRFCPE-UHFFFAOYSA-N 1 0 396.535 3.640 20 30 GHEDRO CCOC(=O)C1CCN(c2ccccc2C[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001144096912 901061421 /nfs/dbraw/zinc/06/14/21/901061421.db2.gz NBJNAUXQABLXKL-UHFFFAOYSA-N 1 0 391.515 3.970 20 30 GHEDRO CC1CC[NH+]([C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)c2ccccc2)CC1 ZINC000575203902 901157553 /nfs/dbraw/zinc/15/75/53/901157553.db2.gz HKTCAXMEWOCOMS-HXUWFJFHSA-N 1 0 379.464 3.934 20 30 GHEDRO C#CCN(C(=O)Cc1sc(C)nc1-c1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC000886585090 901178819 /nfs/dbraw/zinc/17/88/19/901178819.db2.gz HLVCNVDTRGSROL-UHFFFAOYSA-N 1 0 381.545 3.525 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COC(=O)c2cccc(CC#N)c2)O1 ZINC000778900452 901264646 /nfs/dbraw/zinc/26/46/46/901264646.db2.gz YKAHDUHMEMRSMX-OAQYLSRUSA-N 1 0 378.472 3.589 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3)C(C)C ZINC001144204486 901283292 /nfs/dbraw/zinc/28/32/92/901283292.db2.gz QYXBFCDOZYTSMW-QHCPKHFHSA-N 1 0 394.563 3.584 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)ccc1OC ZINC000092057244 901469782 /nfs/dbraw/zinc/46/97/82/901469782.db2.gz BWHFFXHJKQDSDK-UHFFFAOYSA-N 1 0 386.536 3.875 20 30 GHEDRO COCC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000092567655 901500648 /nfs/dbraw/zinc/50/06/48/901500648.db2.gz IZSDKWOVWYEVOA-UHFFFAOYSA-N 1 0 399.498 3.984 20 30 GHEDRO C=CCc1cc(C[N@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)cc(OC)c1O ZINC000093083796 901528044 /nfs/dbraw/zinc/52/80/44/901528044.db2.gz IHCJHTAONCDRFN-UHFFFAOYSA-N 1 0 382.504 3.853 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccc(OC3CCCCC3)cc2)c1 ZINC000576101044 901682318 /nfs/dbraw/zinc/68/23/18/901682318.db2.gz JXLKFQQBBFBJNR-UHFFFAOYSA-N 1 0 398.528 3.833 20 30 GHEDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000576378672 901983389 /nfs/dbraw/zinc/98/33/89/901983389.db2.gz ANGCTRPODKHAPF-UHFFFAOYSA-N 1 0 398.315 3.559 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000158714869 902028849 /nfs/dbraw/zinc/02/88/49/902028849.db2.gz AUTZYHOLPNUKED-UHFFFAOYSA-N 1 0 385.581 3.807 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001144411248 902072585 /nfs/dbraw/zinc/07/25/85/902072585.db2.gz ABWQPDWMJNZLEU-XLIONFOSSA-N 1 0 375.900 3.790 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCc3c(Cl)nc(C)nc3Cl)CC2)C1=O ZINC001275532535 914594541 /nfs/dbraw/zinc/59/45/41/914594541.db2.gz MVLMDYPHQJWMSM-IBGZPJMESA-N 1 0 397.350 3.525 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(I)c1 ZINC001171181263 902131440 /nfs/dbraw/zinc/13/14/40/902131440.db2.gz JAGUEMIHAIAOKY-ZDUSSCGKSA-N 1 0 376.241 3.884 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000576658273 902164525 /nfs/dbraw/zinc/16/45/25/902164525.db2.gz XIQIYFWBFMACLQ-OAQYLSRUSA-N 1 0 378.520 3.692 20 30 GHEDRO Cc1cnn([C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)c1 ZINC000576792895 902265853 /nfs/dbraw/zinc/26/58/53/902265853.db2.gz PNPYJWZSUKAKLZ-ZBFHGGJFSA-N 1 0 397.548 3.525 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)c1 ZINC000576792892 902265921 /nfs/dbraw/zinc/26/59/21/902265921.db2.gz PNPYJWZSUKAKLZ-GDBMZVCRSA-N 1 0 397.548 3.525 20 30 GHEDRO C=CCn1c(-c2cccc(OC)c2)nn(CN(C)C[C@H]2CCCOC2)c1=S ZINC000159027327 902463880 /nfs/dbraw/zinc/46/38/80/902463880.db2.gz DRWVAZKTMRMCEW-MRXNPFEDSA-N 1 0 388.537 3.592 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC000846062571 902676860 /nfs/dbraw/zinc/67/68/60/902676860.db2.gz CKYCUYJRCLSEKL-AYOQOUSVSA-N 1 0 385.508 3.903 20 30 GHEDRO O=C(/C=C/C(=O)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1)c1ccccc1 ZINC001144707771 902710463 /nfs/dbraw/zinc/71/04/63/902710463.db2.gz HQMDWHOXHXCBGA-NFPSEPLVSA-N 1 0 392.474 3.832 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001171216011 902721136 /nfs/dbraw/zinc/72/11/36/902721136.db2.gz FTBPPAPMKUCUKE-WMZHIEFXSA-N 1 0 391.515 3.725 20 30 GHEDRO [NH2+]=C(NCc1ccnc(N2CCCC2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000264062161 902817484 /nfs/dbraw/zinc/81/74/84/902817484.db2.gz DADNSGMUDHXZTD-UHFFFAOYSA-N 1 0 379.386 3.507 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CCOCC1 ZINC000600720459 902843446 /nfs/dbraw/zinc/84/34/46/902843446.db2.gz ZCKVSZMNNWKXGZ-NRFANRHFSA-N 1 0 398.478 3.566 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)c2ccc(C)cc2)cc1 ZINC000600723961 902846193 /nfs/dbraw/zinc/84/61/93/902846193.db2.gz ZYLZQTPHKZNHHF-GGAORHGYSA-N 1 0 394.515 3.754 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000129808237 902856985 /nfs/dbraw/zinc/85/69/85/902856985.db2.gz KXDCECMACPBCLL-UHFFFAOYSA-N 1 0 387.455 3.946 20 30 GHEDRO COc1cccc(Cn2ccc3ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc32)c1 ZINC000600757098 902879419 /nfs/dbraw/zinc/87/94/19/902879419.db2.gz IZRWDVFPHNDZSL-FQEVSTJZSA-N 1 0 376.460 3.658 20 30 GHEDRO N#Cc1ccc(SCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000264224824 902937649 /nfs/dbraw/zinc/93/76/49/902937649.db2.gz WVYDHXJYJYXIPJ-KRWDZBQOSA-N 1 0 385.558 3.740 20 30 GHEDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000264521638 903168238 /nfs/dbraw/zinc/16/82/38/903168238.db2.gz ICIXJCWYTAATCN-KRWDZBQOSA-N 1 0 392.569 3.760 20 30 GHEDRO N#CCc1cnc(-n2cc(C[NH3+])c3ccc(Br)cc32)c(Cl)c1 ZINC001160758319 903184316 /nfs/dbraw/zinc/18/43/16/903184316.db2.gz MDLYALSHRRJKHJ-UHFFFAOYSA-N 1 0 375.657 3.966 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)CC1 ZINC000601004948 903215486 /nfs/dbraw/zinc/21/54/86/903215486.db2.gz GGIOFCFSDIXEMO-DEOSSOPVSA-N 1 0 389.543 3.947 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)nc(C2CC2)c1 ZINC000846870772 903251939 /nfs/dbraw/zinc/25/19/39/903251939.db2.gz DJOMCFORCAFRGA-UHFFFAOYSA-N 1 0 382.895 3.688 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccccc3OCC#N)cc2)CC1 ZINC000132647216 903290394 /nfs/dbraw/zinc/29/03/94/903290394.db2.gz URTDWEAZQQPCTF-UHFFFAOYSA-N 1 0 392.503 3.619 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000846941899 903335661 /nfs/dbraw/zinc/33/56/61/903335661.db2.gz SNJIYQVPUHDMTM-GOSISDBHSA-N 1 0 390.531 3.906 20 30 GHEDRO C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000601187187 903442418 /nfs/dbraw/zinc/44/24/18/903442418.db2.gz BJDRICGPXFADQZ-OALUTQOASA-N 1 0 376.504 3.723 20 30 GHEDRO O=C(c1cccc(Cl)c1)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134222453 903483202 /nfs/dbraw/zinc/48/32/02/903483202.db2.gz FMHNDRQRQIUBFU-KRWDZBQOSA-O 1 0 389.928 3.725 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000264948732 903500264 /nfs/dbraw/zinc/50/02/64/903500264.db2.gz JSRZLBNLQUWKBT-GOSISDBHSA-N 1 0 392.499 3.597 20 30 GHEDRO N#CC1(Nc2ccc(F)c(-n3ccnc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171282188 903580316 /nfs/dbraw/zinc/58/03/16/903580316.db2.gz DHGQIQZXZMUPAJ-UHFFFAOYSA-N 1 0 375.451 3.982 20 30 GHEDRO COC(=O)[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000578379373 903783493 /nfs/dbraw/zinc/78/34/93/903783493.db2.gz LJEHJGCUJNPDOU-GGAORHGYSA-N 1 0 391.515 3.664 20 30 GHEDRO CCN(CC[NH+]1CCCCCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000578469861 903874243 /nfs/dbraw/zinc/87/42/43/903874243.db2.gz DTPFXYGPHCMHJH-UHFFFAOYSA-N 1 0 380.540 3.557 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000772985763 903874422 /nfs/dbraw/zinc/87/44/22/903874422.db2.gz YFCWSVNCVQKFKB-HNAYVOBHSA-N 1 0 396.447 3.783 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000265443819 903894010 /nfs/dbraw/zinc/89/40/10/903894010.db2.gz IZCSYBQPTSAGNV-NSHDSACASA-N 1 0 394.426 3.517 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147975496 903923652 /nfs/dbraw/zinc/92/36/52/903923652.db2.gz JAHHJNOSHSVRBF-GOSISDBHSA-N 1 0 379.504 3.776 20 30 GHEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000578601459 904001067 /nfs/dbraw/zinc/00/10/67/904001067.db2.gz CRFPJCDNFJFCIB-NHCUHLMSSA-N 1 0 398.576 3.680 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000772988508 904015306 /nfs/dbraw/zinc/01/53/06/904015306.db2.gz QUJWHYQYLASCFW-SFHVURJKSA-N 1 0 375.472 3.803 20 30 GHEDRO COc1ccc(CC[NH+]2CCC(NC(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 ZINC001148623051 904142740 /nfs/dbraw/zinc/14/27/40/904142740.db2.gz RAOIQVLUAHNTGD-GOSISDBHSA-N 1 0 391.515 3.759 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)[C@H]1CCCO1 ZINC000578818748 904148173 /nfs/dbraw/zinc/14/81/73/904148173.db2.gz OBRCOKORPBOJPB-WOJBJXKFSA-N 1 0 398.482 3.591 20 30 GHEDRO Cc1c[nH+]ccc1N1CCN(C(=O)c2ccc(C(C)(C)CCC#N)cc2)CC1 ZINC001148906515 904244524 /nfs/dbraw/zinc/24/45/24/904244524.db2.gz SRPUXOQDSZIELU-UHFFFAOYSA-N 1 0 376.504 3.934 20 30 GHEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000578999657 904282904 /nfs/dbraw/zinc/28/29/04/904282904.db2.gz BMPYGAQMLYLTLQ-DHIUTWEWSA-N 1 0 397.494 3.842 20 30 GHEDRO Cc1nc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2o1 ZINC000152968065 904316961 /nfs/dbraw/zinc/31/69/61/904316961.db2.gz IDVPWBJSGFZNCI-UHFFFAOYSA-N 1 0 377.448 3.604 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)CC1 ZINC001171366259 904353789 /nfs/dbraw/zinc/35/37/89/904353789.db2.gz LQQXRRADCWWPOW-KRWDZBQOSA-N 1 0 376.447 3.543 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000773107808 904440616 /nfs/dbraw/zinc/44/06/16/904440616.db2.gz NTCUOHRQRGCDAY-NBHGPNQESA-N 1 0 375.896 3.953 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000579359169 904540918 /nfs/dbraw/zinc/54/09/18/904540918.db2.gz GMEDJJQQUSSBAH-IRLDBZIGSA-N 1 0 390.487 3.953 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2C2CC2)cc1 ZINC000579366941 904545680 /nfs/dbraw/zinc/54/56/80/904545680.db2.gz ZJOGBEAKHFZBCQ-NQIIRXRSSA-N 1 0 388.519 3.605 20 30 GHEDRO [NH2+]=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104160070 904545947 /nfs/dbraw/zinc/54/59/47/904545947.db2.gz PKXGJGOFLQCSEF-UHFFFAOYSA-N 1 0 393.413 3.897 20 30 GHEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)N2CCOCC2)cc1 ZINC000104176521 904547160 /nfs/dbraw/zinc/54/71/60/904547160.db2.gz HDBIYHMPNSSJOK-QFIPXVFZSA-N 1 0 396.535 3.582 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000889428578 904570921 /nfs/dbraw/zinc/57/09/21/904570921.db2.gz CNRWMPQFGOGPCA-KRWDZBQOSA-N 1 0 394.441 3.822 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000579411556 904576418 /nfs/dbraw/zinc/57/64/18/904576418.db2.gz RISVLQYMOWRBOO-QZTJIDSGSA-N 1 0 376.508 3.558 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[NH+](C)C)cc1 ZINC000579499008 904654604 /nfs/dbraw/zinc/65/46/04/904654604.db2.gz UTFBSFMJXUNNSZ-QGZVFWFLSA-N 1 0 390.409 3.567 20 30 GHEDRO COC(=O)C1(Nc2cc(C#N)cc3[nH]ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171506903 904784383 /nfs/dbraw/zinc/78/43/83/904784383.db2.gz HGXKLKNLDZXLMO-UHFFFAOYSA-N 1 0 388.471 3.659 20 30 GHEDRO C[NH+]1CCN(c2ccccc2C(=O)Nc2c(C#N)cccc2C(F)(F)F)CC1 ZINC001186898735 914860408 /nfs/dbraw/zinc/86/04/08/914860408.db2.gz UGPIJXFESQDULI-UHFFFAOYSA-N 1 0 388.393 3.581 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC001171920572 905150006 /nfs/dbraw/zinc/15/00/06/905150006.db2.gz JCOWYEIWEKPUEI-AEFFLSMTSA-N 1 0 384.442 3.968 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000173885509 905154484 /nfs/dbraw/zinc/15/44/84/905154484.db2.gz LXIRMDTWUDICQX-HZPDHXFCSA-N 1 0 396.466 3.770 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000174003152 905184691 /nfs/dbraw/zinc/18/46/91/905184691.db2.gz IRMBPSJQFIKBNC-KSZLIROESA-N 1 0 377.488 3.658 20 30 GHEDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1)c1ccccc1 ZINC000174326626 905254926 /nfs/dbraw/zinc/25/49/26/905254926.db2.gz VUKUPNDRHWCOCC-JOCHJYFZSA-N 1 0 391.515 3.841 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000174924375 905391267 /nfs/dbraw/zinc/39/12/67/905391267.db2.gz NUUCKJWYBDYTMP-RUCTVCJSSA-N 1 0 389.499 3.583 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001172302838 905455349 /nfs/dbraw/zinc/45/53/49/905455349.db2.gz RRAJEMNMKSSLKL-QAPCUYQASA-N 1 0 393.478 3.971 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001172303313 905457072 /nfs/dbraw/zinc/45/70/72/905457072.db2.gz BWQMZWBBGDOFEX-CJOZULMCSA-N 1 0 393.531 3.694 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC001172306213 905461754 /nfs/dbraw/zinc/46/17/54/905461754.db2.gz CBOOEBGXHWCQJR-WMZHIEFXSA-N 1 0 387.527 3.970 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001172307151 905463781 /nfs/dbraw/zinc/46/37/81/905463781.db2.gz DYORTRGOMZVSKZ-VCFYHUQZSA-N 1 0 391.515 3.580 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001172309959 905467414 /nfs/dbraw/zinc/46/74/14/905467414.db2.gz CRMOGNAYDBUKHT-UTKZUKDTSA-N 1 0 382.529 3.772 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001172309955 905467689 /nfs/dbraw/zinc/46/76/89/905467689.db2.gz CRMOGNAYDBUKHT-DYESRHJHSA-N 1 0 382.529 3.772 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001172320169 905471138 /nfs/dbraw/zinc/47/11/38/905471138.db2.gz UBTJAYBQOHJRPP-JTSKRJEESA-N 1 0 375.516 3.831 20 30 GHEDRO COc1ccc(NC(=O)c2nc3c(s2)CC[N@@H+]([C@@H](C)CCCC#N)CC3)cc1 ZINC001172494932 905596326 /nfs/dbraw/zinc/59/63/26/905596326.db2.gz ACOBJNGYFJPSFP-HNNXBMFYSA-N 1 0 398.532 3.887 20 30 GHEDRO CCCCCCCC[C@H](CC)N(Cc1ncn2c1C[NH2+]CCC2)S(C)(=O)=O ZINC001172505288 905602226 /nfs/dbraw/zinc/60/22/26/905602226.db2.gz LMTXVECLIBEVME-SFHVURJKSA-N 1 0 398.617 3.667 20 30 GHEDRO CCCCCCC[C@@H](CCC)N(Cc1ncn2c1C[NH2+]CCC2)S(C)(=O)=O ZINC001172509450 905603845 /nfs/dbraw/zinc/60/38/45/905603845.db2.gz WZEIUCJRSRWSJK-GOSISDBHSA-N 1 0 398.617 3.667 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172717104 905766528 /nfs/dbraw/zinc/76/65/28/905766528.db2.gz PHMQRIRZHDYIJO-FQEVSTJZSA-N 1 0 379.891 3.573 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000190169606 905817172 /nfs/dbraw/zinc/81/71/72/905817172.db2.gz ORJBYRSAPOHRPJ-KRWDZBQOSA-N 1 0 396.491 3.582 20 30 GHEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976215 906040324 /nfs/dbraw/zinc/04/03/24/906040324.db2.gz MLVNYXNGWOBOFG-FHWLQOOXSA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C[C@H]1C#N ZINC001172989603 906053382 /nfs/dbraw/zinc/05/33/82/906053382.db2.gz IMTZKHOAFKRHAN-MOPGFXCFSA-N 1 0 385.508 3.863 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(CCC(=O)CC3)CC2)C[C@H]1C#N ZINC001172990485 906053743 /nfs/dbraw/zinc/05/37/43/906053743.db2.gz ONNGNNREJJNBAW-IRXDYDNUSA-N 1 0 375.513 3.503 20 30 GHEDRO N#Cc1ccc2c(c1)C[N@H+](C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)CC2 ZINC001173010750 906085997 /nfs/dbraw/zinc/08/59/97/906085997.db2.gz YMMDEVJAKRHALC-UHFFFAOYSA-N 1 0 398.413 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(Cc3ccncc3)CC2)C[C@H]1C#N ZINC001172991166 906101766 /nfs/dbraw/zinc/10/17/66/906101766.db2.gz VMFOGYYFWYIZMD-PMACEKPBSA-N 1 0 384.524 3.628 20 30 GHEDRO CCCOC1CCC([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001173098560 906150516 /nfs/dbraw/zinc/15/05/16/906150516.db2.gz NNPBUUDHCZKGKF-POOLCLQXSA-N 1 0 381.520 3.725 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000190631792 906184349 /nfs/dbraw/zinc/18/43/49/906184349.db2.gz INYMFAGTQNRBTA-LIRRHRJNSA-N 1 0 398.304 3.772 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)cs1 ZINC000178330649 906327468 /nfs/dbraw/zinc/32/74/68/906327468.db2.gz BXRSIJXOOCEXOO-SFHVURJKSA-N 1 0 391.500 3.824 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)CC1 ZINC001173321112 906369831 /nfs/dbraw/zinc/36/98/31/906369831.db2.gz HZCCHAVDJIKKQP-UHFFFAOYSA-N 1 0 397.563 3.914 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC1 ZINC001173321154 906370357 /nfs/dbraw/zinc/37/03/57/906370357.db2.gz YBZWOHUCRKGJRI-YABDQXBESA-N 1 0 397.519 3.750 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)CC1 ZINC001173321221 906371193 /nfs/dbraw/zinc/37/11/93/906371193.db2.gz JIBDPEHQCNBULA-CTWPCTMYSA-N 1 0 390.499 3.737 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](N2CCC([NH2+]C3CCC(CC#N)CC3)CC2)C1 ZINC001173332188 906376004 /nfs/dbraw/zinc/37/60/04/906376004.db2.gz IYTXGBOREYQLOK-QLOJAFMTSA-N 1 0 390.572 3.522 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001173335333 906377882 /nfs/dbraw/zinc/37/78/82/906377882.db2.gz IEZYYHJYFDWWFW-CPQYCEPASA-N 1 0 375.538 3.612 20 30 GHEDRO C=CCOC1CCC([N@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001173320301 906390704 /nfs/dbraw/zinc/39/07/04/906390704.db2.gz FNTGZTXYDICRGJ-UHFFFAOYSA-N 1 0 394.556 3.602 20 30 GHEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173374777 906403296 /nfs/dbraw/zinc/40/32/96/906403296.db2.gz QWWWPCJRTSWJMX-MPWIWIEXSA-N 1 0 379.541 3.846 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC001173425395 906461433 /nfs/dbraw/zinc/46/14/33/906461433.db2.gz STDWLNWCZSIDDT-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3C[C@@H]3c3cccc(Cl)c3)CC2)cc1 ZINC001173427426 906463445 /nfs/dbraw/zinc/46/34/45/906463445.db2.gz VRZBKHURTQSCQL-RTWAWAEBSA-N 1 0 379.891 3.962 20 30 GHEDRO COC(=O)CCCC[C@H](C)[NH2+][C@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001173446202 906486286 /nfs/dbraw/zinc/48/62/86/906486286.db2.gz UOMLZMASLVKYIO-JKSUJKDBSA-N 1 0 383.492 3.816 20 30 GHEDRO COC(=O)CCCC[C@H](C)[NH2+][C@@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001173446196 906486386 /nfs/dbraw/zinc/48/63/86/906486386.db2.gz UOMLZMASLVKYIO-HOTGVXAUSA-N 1 0 383.492 3.816 20 30 GHEDRO C=C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1)c1ccccc1 ZINC001173541741 906516968 /nfs/dbraw/zinc/51/69/68/906516968.db2.gz IAQDQUJHQYRMLV-SVMVAKDDSA-N 1 0 388.508 3.835 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H](C[NH2+]C3CCC(C)(C#N)CC3)CO2)C1 ZINC001173586803 906545246 /nfs/dbraw/zinc/54/52/46/906545246.db2.gz HIUBQKSGWXURKK-HVANQTDBSA-N 1 0 391.556 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](C[NH2+]C3CCC(C)(C#N)CC3)CO2)CC1 ZINC001173587195 906545611 /nfs/dbraw/zinc/54/56/11/906545611.db2.gz RUQMJWCRRMPEOD-XPQZIERPSA-N 1 0 391.556 3.855 20 30 GHEDRO COc1ccc(CN2CC[C@@]3(CCC[N@@H+](C4CCC(C)(C#N)CC4)C3)C2=O)cc1 ZINC001173595444 906549328 /nfs/dbraw/zinc/54/93/28/906549328.db2.gz PBQMDFUKHXFUDH-VZYOYLOZSA-N 1 0 395.547 3.982 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2 ZINC001173599786 906552375 /nfs/dbraw/zinc/55/23/75/906552375.db2.gz QVYKDYDDUZUVPZ-DJSMFCCRSA-N 1 0 395.547 3.624 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@H](CC(=O)OCC)C1)[C@H]2CC ZINC001173639126 906589673 /nfs/dbraw/zinc/58/96/73/906589673.db2.gz AXFWIQSLLHURJJ-OZIGNCPNSA-N 1 0 376.541 3.530 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179769228 906592094 /nfs/dbraw/zinc/59/20/94/906592094.db2.gz TXZJOQREZRQYLA-OAHLLOKOSA-N 1 0 376.460 3.586 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001173708342 906658453 /nfs/dbraw/zinc/65/84/53/906658453.db2.gz HCBNLWIYKLDUNE-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000180011714 906659131 /nfs/dbraw/zinc/65/91/31/906659131.db2.gz DKQXMLJHZDRPEY-DLBZAZTESA-N 1 0 393.491 3.720 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000180062941 906679166 /nfs/dbraw/zinc/67/91/66/906679166.db2.gz FWWKOYKJPVSWKL-QGZVFWFLSA-N 1 0 378.476 3.895 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000180099671 906689951 /nfs/dbraw/zinc/68/99/51/906689951.db2.gz HLPQWIYJEGHUGI-FUHWJXTLSA-N 1 0 382.464 3.919 20 30 GHEDRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000779395616 906704707 /nfs/dbraw/zinc/70/47/07/906704707.db2.gz USYSGVIQAXKKOI-IRXDYDNUSA-N 1 0 382.476 3.748 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c(-c2ccc(C#N)cc2)n1 ZINC000180336317 906750417 /nfs/dbraw/zinc/75/04/17/906750417.db2.gz MEEHNNZPVXORFM-JOCHJYFZSA-N 1 0 388.515 3.851 20 30 GHEDRO CC(C)CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1 ZINC000180869222 906867012 /nfs/dbraw/zinc/86/70/12/906867012.db2.gz LFZPKQFJSARGRE-SKQREZPOSA-N 1 0 375.900 3.933 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 ZINC000191315525 906872304 /nfs/dbraw/zinc/87/23/04/906872304.db2.gz UOQMXHGFRKRPEB-UHFFFAOYSA-N 1 0 390.447 3.753 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000181430957 906999872 /nfs/dbraw/zinc/99/98/72/906999872.db2.gz NNQGSKCODNBZHW-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181720426 907060285 /nfs/dbraw/zinc/06/02/85/907060285.db2.gz CRYQPFHZNAVQPM-GOSISDBHSA-N 1 0 393.531 3.761 20 30 GHEDRO CN(C)C(=O)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000181967614 907107359 /nfs/dbraw/zinc/10/73/59/907107359.db2.gz IWVYNWGKNPDSMY-UHFFFAOYSA-N 1 0 375.516 3.687 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H](C)Cc1ccccc1)[n+]1ccccc1 ZINC000191699708 907164568 /nfs/dbraw/zinc/16/45/68/907164568.db2.gz MQBQTJVYLQCGII-HNNXBMFYSA-O 1 0 394.520 3.739 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182560901 907229943 /nfs/dbraw/zinc/22/99/43/907229943.db2.gz ZDCSMSXORCTYCV-ZWKOTPCHSA-N 1 0 392.503 3.598 20 30 GHEDRO CC[C@H](CO)[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CCC(C(C)(C)C)CC1 ZINC001174875527 907268640 /nfs/dbraw/zinc/26/86/40/907268640.db2.gz XLGIYEXZPUVKBX-ATKRNPRHSA-N 1 0 399.579 3.852 20 30 GHEDRO C#CCCCC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000191927359 907324803 /nfs/dbraw/zinc/32/48/03/907324803.db2.gz SYBQJMCGAAEYJT-UHFFFAOYSA-N 1 0 395.469 3.527 20 30 GHEDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C ZINC000183354923 907372604 /nfs/dbraw/zinc/37/26/04/907372604.db2.gz DRBCSSWPIGLETC-ZDUSSCGKSA-N 1 0 385.537 3.610 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1Cl ZINC000192110898 907422403 /nfs/dbraw/zinc/42/24/03/907422403.db2.gz KSMKTRPNXGFUNO-PKOBYXMFSA-N 1 0 391.805 3.548 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC001175521921 907599943 /nfs/dbraw/zinc/59/99/43/907599943.db2.gz BLPLAVYPVSPCHW-UHFFFAOYSA-N 1 0 381.495 3.999 20 30 GHEDRO C#Cc1cccc(N(c2ncnc3cc(OC)c(N)cc32)C2=CCC[N@H+](C)C2)c1 ZINC001175583029 907620907 /nfs/dbraw/zinc/62/09/07/907620907.db2.gz WTHIBEQVZANYDF-UHFFFAOYSA-N 1 0 385.471 3.559 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(Nc2ccc(N3CCCC3)c(C#N)c2)cc1 ZINC001175825166 907782398 /nfs/dbraw/zinc/78/23/98/907782398.db2.gz FCAUYYLITWGWOR-UHFFFAOYSA-N 1 0 391.519 3.584 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001175965299 907842433 /nfs/dbraw/zinc/84/24/33/907842433.db2.gz BHBRPSSXJGISQC-MRXNPFEDSA-N 1 0 388.943 3.879 20 30 GHEDRO COCC#CC[N@@H+]1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001175975701 907848202 /nfs/dbraw/zinc/84/82/02/907848202.db2.gz YYFSLCMWISCUJJ-UYAOXDASSA-N 1 0 378.557 3.822 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC001176114106 907945180 /nfs/dbraw/zinc/94/51/80/907945180.db2.gz PGZCEFVEDOJJOS-NRFANRHFSA-N 1 0 377.529 3.562 20 30 GHEDRO C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000186746487 907979263 /nfs/dbraw/zinc/97/92/63/907979263.db2.gz ZMKCZDFIOOYJPE-CQSZACIVSA-N 1 0 379.382 3.818 20 30 GHEDRO N#CC(CC[N@@H+]1CC[C@H](Nc2ncccn2)C1)(c1ccccc1)c1ccccc1 ZINC001176808986 908262657 /nfs/dbraw/zinc/26/26/57/908262657.db2.gz XPSQODZGLCBHQE-QFIPXVFZSA-N 1 0 383.499 3.863 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001176991219 908351127 /nfs/dbraw/zinc/35/11/27/908351127.db2.gz QVSZMDSWPFSHAR-LDQXTDLNSA-N 1 0 387.549 3.910 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(Cn4cncn4)CC3)c2)c1 ZINC000189973183 908394603 /nfs/dbraw/zinc/39/46/03/908394603.db2.gz WDEOAYSSKMLJAS-UHFFFAOYSA-N 1 0 387.487 3.641 20 30 GHEDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000190494939 908494827 /nfs/dbraw/zinc/49/48/27/908494827.db2.gz VUMJSZKQDULYLY-IBGZPJMESA-N 1 0 391.519 3.869 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@H]2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634378798 908696782 /nfs/dbraw/zinc/69/67/82/908696782.db2.gz VMIBVAAXPRFKSH-OALUTQOASA-N 1 0 387.572 3.591 20 30 GHEDRO N#Cc1ccc(CN(C(=O)[C@@H](c2ccccn2)C2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001178247734 908950153 /nfs/dbraw/zinc/95/01/53/908950153.db2.gz XZVGJAHJZCBLMD-MQSCRBSSSA-N 1 0 388.515 3.746 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC001178647591 909165921 /nfs/dbraw/zinc/16/59/21/909165921.db2.gz NEWYNCIKLBFACP-GOSISDBHSA-N 1 0 377.326 3.568 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3OCC#N)cc2)C1 ZINC000266670052 909252176 /nfs/dbraw/zinc/25/21/76/909252176.db2.gz VIJVSQRRVLBMHF-KRWDZBQOSA-N 1 0 379.460 3.562 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](CCNC(=O)OC(C)(C)C)c2ccccc21 ZINC001178953516 909330683 /nfs/dbraw/zinc/33/06/83/909330683.db2.gz DZOTWYVNJNDLJO-KRWDZBQOSA-N 1 0 387.524 3.540 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)cc1Br)CC2 ZINC001276026290 921491086 /nfs/dbraw/zinc/49/10/86/921491086.db2.gz ZOEYGQIPXILSHP-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO C#CCCOc1ccc(CNc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC001179447707 909526618 /nfs/dbraw/zinc/52/66/18/909526618.db2.gz OXAXNYUIQQEAPZ-HSZRJFAPSA-N 1 0 375.516 3.985 20 30 GHEDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)cs1 ZINC000267722885 909604063 /nfs/dbraw/zinc/60/40/63/909604063.db2.gz MAOOVDJOZYLOPO-IRXDYDNUSA-N 1 0 384.549 3.991 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc(OC)c1 ZINC000267983395 909721587 /nfs/dbraw/zinc/72/15/87/909721587.db2.gz YKKQGOLAOJRPOC-UHFFFAOYSA-N 1 0 381.476 3.683 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001180184635 909981402 /nfs/dbraw/zinc/98/14/02/909981402.db2.gz RNQIVCUWIKGOOR-UHFFFAOYSA-N 1 0 387.524 3.702 20 30 GHEDRO N#Cc1ccc(-c2nnc(COC(=O)c3ccc(C[NH+]4CCCC4)cc3)o2)cc1 ZINC000801871287 921563642 /nfs/dbraw/zinc/56/36/42/921563642.db2.gz QUESCASBEQJXAX-UHFFFAOYSA-N 1 0 388.427 3.561 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1OC(F)(F)F)Cc1ccccc1 ZINC001181139958 910566765 /nfs/dbraw/zinc/56/67/65/910566765.db2.gz PIPTYNUHNTWEIP-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO CCCn1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000271144009 910794373 /nfs/dbraw/zinc/79/43/73/910794373.db2.gz BQCLGPCQBSLIHX-UHFFFAOYSA-N 1 0 379.508 3.632 20 30 GHEDRO Cc1ccc(C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccc(C)cc2)cc1 ZINC000271487042 910925161 /nfs/dbraw/zinc/92/51/61/910925161.db2.gz OILBVLAWTFKJRD-HGJUWQSKSA-N 1 0 389.499 3.703 20 30 GHEDRO O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2C[N@@H+](CCCC(F)(F)F)C[C@H]21 ZINC001274585027 910977214 /nfs/dbraw/zinc/97/72/14/910977214.db2.gz RUOYVOZWLAFTNY-DOTOQJQBSA-N 1 0 384.829 3.567 20 30 GHEDRO CCCCCOc1ccc([C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C2CC2)cc1 ZINC000271625274 910990191 /nfs/dbraw/zinc/99/01/91/910990191.db2.gz CCWAZFOFTYWZCY-XSSWQJIQSA-N 1 0 397.519 3.823 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)CC1 ZINC000274205324 911261654 /nfs/dbraw/zinc/26/16/54/911261654.db2.gz JQIHKZBNBWBFSK-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000247879672 911478577 /nfs/dbraw/zinc/47/85/77/911478577.db2.gz ZVLATPJQLCOBCK-RBUKOAKNSA-N 1 0 379.504 3.964 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001182433455 911653031 /nfs/dbraw/zinc/65/30/31/911653031.db2.gz IVNHPZALEUXRFM-RBBKRZOGSA-N 1 0 375.472 3.936 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(OC(F)F)cc2)C(=S)NC2(C)CC2)cc1 ZINC000283981207 911710256 /nfs/dbraw/zinc/71/02/56/911710256.db2.gz GTFXKFDYJVOCKB-UHFFFAOYSA-O 1 0 391.463 3.965 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000092704612 911723789 /nfs/dbraw/zinc/72/37/89/911723789.db2.gz PGWDWLZGJFHXSU-BEFAXECRSA-N 1 0 382.439 3.513 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNc1cc(C)nc2nc(C(F)(F)F)nn21)C(C)C ZINC000642094005 911743940 /nfs/dbraw/zinc/74/39/40/911743940.db2.gz VVCBHRPCBSAVHA-CQSZACIVSA-N 1 0 382.434 3.562 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3ccn(Cc4ccccc4)n3)CC2)cc1 ZINC000284390585 911849718 /nfs/dbraw/zinc/84/97/18/911849718.db2.gz PCSVKEMGRIDSQU-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO CC#CCCCCCCCC(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001182769146 912037012 /nfs/dbraw/zinc/03/70/12/912037012.db2.gz SUQISYVEMILBOG-IMSXRSKXSA-N 1 0 397.563 3.936 20 30 GHEDRO C=CCSCC(=O)N1CCC[C@@]2(C1)C[N@H+](C[C@H](CC)CCCC)CCO2 ZINC001273477998 912113543 /nfs/dbraw/zinc/11/35/43/912113543.db2.gz KEKSZYZTKGVRCJ-CTNGQTDRSA-N 1 0 382.614 3.815 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014808 912147989 /nfs/dbraw/zinc/14/79/89/912147989.db2.gz DKPFLMPXEXDIBY-IBGZPJMESA-N 1 0 392.956 3.636 20 30 GHEDRO N#Cc1cccc(NC(=O)CN(Cc2ccccc2)C[C@H](O)c2ccccc2)c1 ZINC000796364128 915003715 /nfs/dbraw/zinc/00/37/15/915003715.db2.gz QATYPUBYBSHAIR-QHCPKHFHSA-N 1 0 385.467 3.733 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303769476 915113968 /nfs/dbraw/zinc/11/39/68/915113968.db2.gz BKODDLWCAIRMCT-SIKLNZKXSA-N 1 0 393.531 3.931 20 30 GHEDRO [NH2+]=C(NCc1csc(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000303777418 915122039 /nfs/dbraw/zinc/12/20/39/915122039.db2.gz ISZFWHUQEHLXAH-UHFFFAOYSA-N 1 0 395.507 3.586 20 30 GHEDRO COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N(C)C)c1 ZINC000303787227 915129276 /nfs/dbraw/zinc/12/92/76/915129276.db2.gz SHMSRIHGNJHNBG-KRWDZBQOSA-N 1 0 396.413 3.623 20 30 GHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(Oc3ccccc3)c2)CC1 ZINC000303877298 915236980 /nfs/dbraw/zinc/23/69/80/915236980.db2.gz ILCPJTSLPQIUKV-UHFFFAOYSA-N 1 0 396.491 3.504 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000303892500 915301387 /nfs/dbraw/zinc/30/13/87/915301387.db2.gz RGAYZSPZWGILBK-OAQYLSRUSA-N 1 0 384.499 3.749 20 30 GHEDRO COc1cccc(Oc2ccc(CNC(=[NH2+])NCCc3cccs3)cn2)c1 ZINC000303906091 915306793 /nfs/dbraw/zinc/30/67/93/915306793.db2.gz VXFSPFCVRXCSCY-UHFFFAOYSA-N 1 0 382.489 3.591 20 30 GHEDRO COc1ccccc1C[N@H+](CCOc1ccc(C#N)cc1OC)C[C@@H]1CCCO1 ZINC000303951066 915325098 /nfs/dbraw/zinc/32/50/98/915325098.db2.gz ZWOZMGWOYKHKHY-FQEVSTJZSA-N 1 0 396.487 3.635 20 30 GHEDRO O=C(c1ccc(OC(F)F)cc1)C(C(=S)NC1CCC1)[n+]1ccccc1 ZINC000292348608 915629557 /nfs/dbraw/zinc/62/95/57/915629557.db2.gz PPYZTJTTZPRQAO-UHFFFAOYSA-O 1 0 377.436 3.656 20 30 GHEDRO [NH2+]=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccc2c1CCCC2 ZINC000304688470 915632619 /nfs/dbraw/zinc/63/26/19/915632619.db2.gz QSNUJDMREAPYAE-JOCHJYFZSA-N 1 0 396.510 3.505 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC2CCC2)[n+]2ccc(N(C)C)cc2)cc1C ZINC000292406720 915662126 /nfs/dbraw/zinc/66/21/26/915662126.db2.gz XZGKVTPSAUKYAN-UHFFFAOYSA-O 1 0 382.553 3.738 20 30 GHEDRO [NH2+]=C(NCCCC(=O)N1Cc2ccccc2C1)Nc1cccc2c1CCCC2 ZINC000304741958 915668872 /nfs/dbraw/zinc/66/88/72/915668872.db2.gz CJUIFPUNWFPQAV-UHFFFAOYSA-N 1 0 376.504 3.615 20 30 GHEDRO [NH2+]=C(NCCc1csc(N2CCCC2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304760096 915673932 /nfs/dbraw/zinc/67/39/32/915673932.db2.gz RWVBSUBQJZAMCX-UHFFFAOYSA-N 1 0 399.442 3.611 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001188000166 915675454 /nfs/dbraw/zinc/67/54/54/915675454.db2.gz AHLMWQRYZJCKNP-ROUUACIJSA-N 1 0 384.611 3.802 20 30 GHEDRO [NH2+]=C(NCc1cc2c(cc1OC(F)F)OCO2)Nc1cccc2c1CCCC2 ZINC000305022568 915835498 /nfs/dbraw/zinc/83/54/98/915835498.db2.gz OGLRXCXMHLQJTP-UHFFFAOYSA-N 1 0 389.402 3.822 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=O)c2cccc(CC#N)c2)cc1 ZINC001188675536 916101783 /nfs/dbraw/zinc/10/17/83/916101783.db2.gz IBQFRQAGKOOFPC-QFIPXVFZSA-N 1 0 391.515 3.888 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000098051350 916117913 /nfs/dbraw/zinc/11/79/13/916117913.db2.gz LUZNRBGESTYCPX-UHFFFAOYSA-N 1 0 394.515 3.868 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cnc1C(F)(F)F ZINC000293557753 916266758 /nfs/dbraw/zinc/26/67/58/916266758.db2.gz PMPGQBTZWDJPCT-UHFFFAOYSA-N 1 0 394.441 3.700 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360680529 916267508 /nfs/dbraw/zinc/26/75/08/916267508.db2.gz LSZUYEHZRHUYRD-GOSISDBHSA-N 1 0 385.471 3.532 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc3cc(Br)ccc3[nH]2)C1=O ZINC001275715552 916304228 /nfs/dbraw/zinc/30/42/28/916304228.db2.gz VNCHGWOETLOXQZ-IBGZPJMESA-N 1 0 388.309 3.683 20 30 GHEDRO CCCCCCCC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000360976308 916420154 /nfs/dbraw/zinc/42/01/54/916420154.db2.gz FWTALWMINQDTOY-UHFFFAOYSA-N 1 0 379.589 3.528 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](CCc3cccc(Br)c3)CC2)C1=O ZINC001275752815 916893005 /nfs/dbraw/zinc/89/30/05/916893005.db2.gz ZKBPRVGRSGBNFN-UHFFFAOYSA-N 1 0 391.353 3.882 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Br)cc1N ZINC001275783159 917239315 /nfs/dbraw/zinc/23/93/15/917239315.db2.gz HGSRONWDXQXRPD-IBGZPJMESA-N 1 0 392.341 3.564 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccccc1 ZINC000775401166 917427075 /nfs/dbraw/zinc/42/70/75/917427075.db2.gz VLZPBQYKOXGZFD-HXUWFJFHSA-N 1 0 392.890 3.878 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000775399850 917442683 /nfs/dbraw/zinc/44/26/83/917442683.db2.gz VLMSDASSUOBJEJ-KRWDZBQOSA-N 1 0 384.863 3.794 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2)CC1 ZINC000295749733 917465258 /nfs/dbraw/zinc/46/52/58/917465258.db2.gz GYHVKOOJIOXQPC-HSZRJFAPSA-N 1 0 380.536 3.877 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295970964 917679561 /nfs/dbraw/zinc/67/95/61/917679561.db2.gz NVBMGMGXSAEQIW-GIVPXCGWSA-N 1 0 395.551 3.805 20 30 GHEDRO CCCCCCCCNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001191074928 917740459 /nfs/dbraw/zinc/74/04/59/917740459.db2.gz HPVRJGVSEUAUIG-UHFFFAOYSA-N 1 0 375.557 3.673 20 30 GHEDRO N#CC1(NC(=O)c2ccccc2N2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001191247551 917877206 /nfs/dbraw/zinc/87/72/06/917877206.db2.gz WBMRBZDGYWSZCE-UHFFFAOYSA-N 1 0 388.515 3.575 20 30 GHEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001191321240 917932032 /nfs/dbraw/zinc/93/20/32/917932032.db2.gz YHCKEEJHESMZSE-KKSFZXQISA-N 1 0 376.431 3.508 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001191549852 918067714 /nfs/dbraw/zinc/06/77/14/918067714.db2.gz HMZWODJSQOXNBH-ZRBLBEILSA-N 1 0 394.515 3.666 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)c(OC)c1 ZINC000653868027 918561203 /nfs/dbraw/zinc/56/12/03/918561203.db2.gz MRUNAVIOMWQJHP-YJBOKZPZSA-N 1 0 383.479 3.967 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000796603657 918787444 /nfs/dbraw/zinc/78/74/44/918787444.db2.gz YGPFKUSQKUVOLL-NRFANRHFSA-N 1 0 390.531 3.503 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C(N)=O)cc1 ZINC000115595205 919459486 /nfs/dbraw/zinc/45/94/86/919459486.db2.gz BSGKCQAKSGSTML-ZJSXRUAMSA-N 1 0 394.478 3.988 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1C#N ZINC000119554119 919637964 /nfs/dbraw/zinc/63/79/64/919637964.db2.gz WLUYDXCQNWWOKC-QEEYODRMSA-N 1 0 382.508 3.971 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000297939816 919996539 /nfs/dbraw/zinc/99/65/39/919996539.db2.gz AFUWZUXDYZRVDG-ICSRJNTNSA-N 1 0 387.842 3.799 20 30 GHEDRO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000800543643 920261164 /nfs/dbraw/zinc/26/11/64/920261164.db2.gz GUBVPYJHWGZIDZ-LJQANCHMSA-N 1 0 378.520 3.688 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298182080 920285861 /nfs/dbraw/zinc/28/58/61/920285861.db2.gz RRWHDPACSMPDKL-YJBOKZPZSA-N 1 0 396.457 3.861 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1OCCCC#N ZINC000365133204 920415894 /nfs/dbraw/zinc/41/58/94/920415894.db2.gz LJWJFKFTRMUBTD-LJQANCHMSA-N 1 0 382.508 3.802 20 30 GHEDRO N#Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cnc1C(F)(F)F ZINC000298575634 920682816 /nfs/dbraw/zinc/68/28/16/920682816.db2.gz OFWIRBXKJWOGJL-MRXNPFEDSA-N 1 0 386.377 3.597 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000367540618 922181639 /nfs/dbraw/zinc/18/16/39/922181639.db2.gz OJZFVOUVUQJENG-UHFFFAOYSA-N 1 0 398.551 3.953 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cscc3Br)CC2)nc1 ZINC000367542145 922183852 /nfs/dbraw/zinc/18/38/52/922183852.db2.gz XTPLRHKWCCCIGF-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO C[NH+](C)CCC(=O)Nc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000367618938 922232406 /nfs/dbraw/zinc/23/24/06/922232406.db2.gz UMXHLXDBKOYPQK-UHFFFAOYSA-N 1 0 391.519 3.529 20 30 GHEDRO CC(C)(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000367669051 922260089 /nfs/dbraw/zinc/26/00/89/922260089.db2.gz COZUOZCXWAYUTH-GOSISDBHSA-N 1 0 379.479 3.613 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000803366743 922917596 /nfs/dbraw/zinc/91/75/96/922917596.db2.gz LKDXXSREMBJWDO-OAQYLSRUSA-N 1 0 399.922 3.984 20 30 GHEDRO CSc1ccccc1NC(=O)CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369203651 923202454 /nfs/dbraw/zinc/20/24/54/923202454.db2.gz CSAUQDHABIMFGO-UHFFFAOYSA-N 1 0 380.517 3.689 20 30 GHEDRO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369470717 923359141 /nfs/dbraw/zinc/35/91/41/923359141.db2.gz WRLQWLAIPKCUFV-UWWQBHOKSA-N 1 0 396.457 3.889 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000369743317 923591532 /nfs/dbraw/zinc/59/15/32/923591532.db2.gz YQWFTBOWHLVIHQ-INIZCTEOSA-N 1 0 380.467 3.722 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CC1 ZINC000369853640 923681037 /nfs/dbraw/zinc/68/10/37/923681037.db2.gz XOCRZKLQWCBYAA-HNNXBMFYSA-N 1 0 383.945 3.525 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157857 923912594 /nfs/dbraw/zinc/91/25/94/923912594.db2.gz AVBVFGFZKKNXJB-JXFKEZNVSA-N 1 0 396.491 3.982 20 30 GHEDRO N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CCO2)c1 ZINC000371266726 924503807 /nfs/dbraw/zinc/50/38/07/924503807.db2.gz PSPKJNOUNXOGSN-QHCPKHFHSA-N 1 0 389.499 3.758 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000409608519 924811758 /nfs/dbraw/zinc/81/17/58/924811758.db2.gz PGFORULZOIENCM-ZDUSSCGKSA-N 1 0 386.309 3.626 20 30 GHEDRO COc1ccc(C[NH+]2CCC(c3nccc(C)n3)CC2)cc1OCCCC#N ZINC000371888426 924950624 /nfs/dbraw/zinc/95/06/24/924950624.db2.gz OTRQAQZCVVDVEA-UHFFFAOYSA-N 1 0 380.492 3.856 20 30 GHEDRO C=CCN1CC[C@H]([NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1=O ZINC000410304737 925512924 /nfs/dbraw/zinc/51/29/24/925512924.db2.gz DYZLUOCXCJHPNP-INIZCTEOSA-N 1 0 375.925 3.916 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)s1 ZINC000372821678 925728775 /nfs/dbraw/zinc/72/87/75/925728775.db2.gz TVJUOBLPTBUUBX-FOIQADDNSA-N 1 0 377.473 3.618 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3cccc(C#N)c3[N+](=O)[O-])cc2F)CC1 ZINC000827557194 925805300 /nfs/dbraw/zinc/80/53/00/925805300.db2.gz JQBNANGVITURCC-UHFFFAOYSA-N 1 0 383.427 3.880 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C1CCOCC1 ZINC000827560647 925814110 /nfs/dbraw/zinc/81/41/10/925814110.db2.gz SWIDZDIVSWLHDA-CQSZACIVSA-N 1 0 392.215 3.866 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(Br)c(Br)c1)C1CCOCC1 ZINC000827564424 925822469 /nfs/dbraw/zinc/82/24/69/925822469.db2.gz BMOXMQIZZOFKJQ-HNNXBMFYSA-N 1 0 387.115 3.730 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1CCOCC1 ZINC000827570885 925822901 /nfs/dbraw/zinc/82/29/01/925822901.db2.gz TXPRRRDSELFFQY-HSZRJFAPSA-N 1 0 386.499 3.511 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1)C1CCOCC1 ZINC000827575278 925823957 /nfs/dbraw/zinc/82/39/57/925823957.db2.gz ONCBWDJKFWDRRH-NRFANRHFSA-N 1 0 383.463 3.931 20 30 GHEDRO N#CCc1cc(Cl)ccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000410971891 925965133 /nfs/dbraw/zinc/96/51/33/925965133.db2.gz SUJLGBONBSQJBR-UHFFFAOYSA-N 1 0 396.922 3.947 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000411163856 926146177 /nfs/dbraw/zinc/14/61/77/926146177.db2.gz GKIQMBUUYGUVPD-MRXNPFEDSA-N 1 0 381.476 3.815 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000411160867 926157768 /nfs/dbraw/zinc/15/77/68/926157768.db2.gz XLXOKSYMNYQPSG-BDTNDASRSA-N 1 0 389.499 3.624 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C#N ZINC000133556400 926320530 /nfs/dbraw/zinc/32/05/30/926320530.db2.gz AZMQJJHWSVTMAN-UHFFFAOYSA-N 1 0 385.899 3.537 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000411451845 926412622 /nfs/dbraw/zinc/41/26/22/926412622.db2.gz AIGYYMHHSLIJGU-UTKZUKDTSA-N 1 0 383.879 3.908 20 30 GHEDRO Cc1cnc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)s1 ZINC000411519391 926484427 /nfs/dbraw/zinc/48/44/27/926484427.db2.gz SAXNQCXYEZNNLC-KRWDZBQOSA-N 1 0 386.546 3.943 20 30 GHEDRO N#CC1(NC(=O)c2cc(O)c3ccccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000373846817 926486283 /nfs/dbraw/zinc/48/62/83/926486283.db2.gz WZBKDRNZXOZYLU-UHFFFAOYSA-N 1 0 385.467 3.834 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)c2)c1 ZINC000374282967 926976228 /nfs/dbraw/zinc/97/62/28/926976228.db2.gz KEBMDEPDYSHOBH-GGAORHGYSA-N 1 0 378.472 3.565 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H](CO)[C@@H]2C)c1C#N ZINC000412065568 927052562 /nfs/dbraw/zinc/05/25/62/927052562.db2.gz CUZHAHNYYJUPTF-ZWKOTPCHSA-N 1 0 386.540 3.513 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000412073292 927069368 /nfs/dbraw/zinc/06/93/68/927069368.db2.gz HWFIREOTKZMKQH-UWJYYQICSA-N 1 0 380.488 3.739 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412195171 927195797 /nfs/dbraw/zinc/19/57/97/927195797.db2.gz CLHAPQJDWGNNDR-ZWKOTPCHSA-N 1 0 381.442 3.785 20 30 GHEDRO Brc1cn2ccnc2c(N=NC2CCCC[C@@H]2[NH+]2CCCCC2)n1 ZINC000749863349 927318696 /nfs/dbraw/zinc/31/86/96/927318696.db2.gz SUYBMVJNFSIFCN-AWEZNQCLSA-N 1 0 391.317 3.688 20 30 GHEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000412573747 927592076 /nfs/dbraw/zinc/59/20/76/927592076.db2.gz NJKUNEMDKAMPMD-GOSISDBHSA-N 1 0 381.476 3.662 20 30 GHEDRO COc1ccc([C@H](C)CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000374877547 927642488 /nfs/dbraw/zinc/64/24/88/927642488.db2.gz FGABPXOJXQJDGO-LJQANCHMSA-N 1 0 391.515 3.863 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(Cl)n1 ZINC000375085270 927893440 /nfs/dbraw/zinc/89/34/40/927893440.db2.gz QTTKNXSHJVCGOO-QGZVFWFLSA-N 1 0 382.895 3.591 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC000751022298 927986245 /nfs/dbraw/zinc/98/62/45/927986245.db2.gz USQBPPXXYAWCBQ-UHFFFAOYSA-N 1 0 397.744 3.639 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H]1CCCC(C)(C)C1=O ZINC000412986497 928074806 /nfs/dbraw/zinc/07/48/06/928074806.db2.gz HYCXWGABMZVDJE-MRXNPFEDSA-N 1 0 376.570 3.732 20 30 GHEDRO Cc1cc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cc(C#N)n1 ZINC000413322737 928437255 /nfs/dbraw/zinc/43/72/55/928437255.db2.gz IJQOXJSHHRXCME-UHFFFAOYSA-N 1 0 395.938 3.706 20 30 GHEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)C1(C)C ZINC000751940210 928496770 /nfs/dbraw/zinc/49/67/70/928496770.db2.gz AFYPDMDYMLFLTL-UXHICEINSA-N 1 0 381.524 3.998 20 30 GHEDRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000752071512 928584091 /nfs/dbraw/zinc/58/40/91/928584091.db2.gz FEECGFNPHZZRRC-UKRRQHHQSA-N 1 0 395.450 3.895 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CC[C@H]2CCCO2)c1C#N ZINC000467140910 928748980 /nfs/dbraw/zinc/74/89/80/928748980.db2.gz SYWIWBWDPFPUQE-LJQANCHMSA-N 1 0 386.540 3.921 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)CC1 ZINC000752631399 928938400 /nfs/dbraw/zinc/93/84/00/928938400.db2.gz MYLXINJUVKGAAE-UHFFFAOYSA-N 1 0 375.516 3.947 20 30 GHEDRO COCCOc1ccc(C#N)cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000544373543 929104681 /nfs/dbraw/zinc/10/46/81/929104681.db2.gz NFPWMHQEJYWDLK-FDFHNCONSA-N 1 0 391.515 3.906 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000753124875 929218448 /nfs/dbraw/zinc/21/84/48/929218448.db2.gz DDTZYWTVEXSWRQ-UHFFFAOYSA-N 1 0 383.879 3.593 20 30 GHEDRO C[C@H]([NH2+]CCCSCC#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000544510424 929237120 /nfs/dbraw/zinc/23/71/20/929237120.db2.gz UUIJZVFQINHNIJ-NSHDSACASA-N 1 0 381.299 3.797 20 30 GHEDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000544607688 929340353 /nfs/dbraw/zinc/34/03/53/929340353.db2.gz IUZGZNBJKLEQDK-UHFFFAOYSA-N 1 0 378.432 3.626 20 30 GHEDRO CC[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757098607 929638233 /nfs/dbraw/zinc/63/82/33/929638233.db2.gz OSKPDCYQIQWJJU-ICSRJNTNSA-N 1 0 387.524 3.952 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000469281648 929759119 /nfs/dbraw/zinc/75/91/19/929759119.db2.gz YOYDTASECNWARF-QRWLVFNGSA-N 1 0 379.508 3.664 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000757864246 929831202 /nfs/dbraw/zinc/83/12/02/929831202.db2.gz GLJGUBPYCYVHDT-NRFANRHFSA-N 1 0 389.540 3.747 20 30 GHEDRO COC(=O)c1ccc(N=NC(C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)nc1 ZINC000758126129 929934654 /nfs/dbraw/zinc/93/46/54/929934654.db2.gz DXXDMNGRONMOPU-UHFFFAOYSA-N 1 0 396.491 3.699 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(C(C)(C)C)cc1 ZINC000759059825 930260545 /nfs/dbraw/zinc/26/05/45/930260545.db2.gz SDJPHMOZZDMRAT-UHFFFAOYSA-O 1 0 393.532 3.641 20 30 GHEDRO COC(=O)c1ccc(N=NC2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000781128896 930709122 /nfs/dbraw/zinc/70/91/22/930709122.db2.gz XBFWHJLRLLLTEZ-MOPGFXCFSA-N 1 0 378.476 3.568 20 30 GHEDRO CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470667392 930804943 /nfs/dbraw/zinc/80/49/43/930804943.db2.gz LWHBOTBAJLHTCX-FQEVSTJZSA-N 1 0 379.529 3.773 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000470670973 930806371 /nfs/dbraw/zinc/80/63/71/930806371.db2.gz WNXLYEGAVDCDAD-UHFFFAOYSA-N 1 0 379.504 3.941 20 30 GHEDRO C=CCOCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000470717125 930847014 /nfs/dbraw/zinc/84/70/14/930847014.db2.gz IDDUCVOMSWHMNS-HSZRJFAPSA-N 1 0 396.506 3.504 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000782966260 931377096 /nfs/dbraw/zinc/37/70/96/931377096.db2.gz LUXPWANZSHOCAF-UHFFFAOYSA-N 1 0 389.540 3.595 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000783097011 931412271 /nfs/dbraw/zinc/41/22/71/931412271.db2.gz OAOZSBSYBFBFFU-KAGYGMCKSA-N 1 0 375.509 3.850 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000783097014 931412553 /nfs/dbraw/zinc/41/25/53/931412553.db2.gz OAOZSBSYBFBFFU-RCZSKKKRSA-N 1 0 375.509 3.850 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000783179039 931449974 /nfs/dbraw/zinc/44/99/74/931449974.db2.gz RLATXHANRPTPAI-IFMALSPDSA-N 1 0 399.535 3.811 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557474724 931458368 /nfs/dbraw/zinc/45/83/68/931458368.db2.gz VMIYLXCTXSNTFV-IBGZPJMESA-N 1 0 386.417 3.695 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCCn1ccnc1 ZINC000924734248 931519496 /nfs/dbraw/zinc/51/94/96/931519496.db2.gz ZSWQRSLMYPJBIM-SFHVURJKSA-N 1 0 389.544 3.572 20 30 GHEDRO Cc1cnccc1CC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925631716 931844161 /nfs/dbraw/zinc/84/41/61/931844161.db2.gz WUOBTNRSYGULHB-GOSISDBHSA-N 1 0 386.540 3.842 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)ccc1OC ZINC000796824069 932080426 /nfs/dbraw/zinc/08/04/26/932080426.db2.gz DTBHHNWEDWFSKZ-PBHICJAKSA-N 1 0 395.459 3.558 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)cc1C#N ZINC000796837003 932085066 /nfs/dbraw/zinc/08/50/66/932085066.db2.gz MAFXZIHTGNIQCX-AWEZNQCLSA-N 1 0 382.464 3.582 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000796991836 932138559 /nfs/dbraw/zinc/13/85/59/932138559.db2.gz XUOFYZKVMLMDJE-QANKJYHBSA-N 1 0 393.915 3.620 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1[O-] ZINC000926377651 932154379 /nfs/dbraw/zinc/15/43/79/932154379.db2.gz LFAVUBDKHSPEFQ-QFIPXVFZSA-N 1 0 379.504 3.978 20 30 GHEDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926653526 932262350 /nfs/dbraw/zinc/26/23/50/932262350.db2.gz YIFJOMXXNLHRTF-DLBZAZTESA-N 1 0 379.545 3.711 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N ZINC000926963283 932365138 /nfs/dbraw/zinc/36/51/38/932365138.db2.gz CMRDCEHBOGERGD-HBMCJLEFSA-N 1 0 399.535 3.761 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000797854903 932433322 /nfs/dbraw/zinc/43/33/22/932433322.db2.gz MWKMTGRQASVIIZ-UHFFFAOYSA-N 1 0 394.475 3.917 20 30 GHEDRO C#Cc1cccc(NC(=O)CN(C)Cc2ccc(N(C)c3ccccc3)nc2)c1 ZINC000798075000 932519063 /nfs/dbraw/zinc/51/90/63/932519063.db2.gz IUKGPHCLKVXXTL-UHFFFAOYSA-N 1 0 384.483 3.901 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]Cc3cccc(COCc4ccccc4)c3)cnc12 ZINC000559273193 932570022 /nfs/dbraw/zinc/57/00/22/932570022.db2.gz IEWZNUWTCJJMFK-UHFFFAOYSA-N 1 0 383.455 3.608 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000798414808 932638782 /nfs/dbraw/zinc/63/87/82/932638782.db2.gz UUCVONPQZYJMDQ-GMAHTHKFSA-N 1 0 378.520 3.910 20 30 GHEDRO C[C@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000798428557 932643816 /nfs/dbraw/zinc/64/38/16/932643816.db2.gz GXCYBHOHHKADBV-FDDCHVKYSA-N 1 0 376.504 3.831 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCCC1(C#N)CCOCC1)C1CCCC1 ZINC000799169090 932897411 /nfs/dbraw/zinc/89/74/11/932897411.db2.gz YCMILRPTJRBJHX-SFHVURJKSA-N 1 0 379.545 3.760 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C)c(C#N)c1 ZINC000799295847 932942055 /nfs/dbraw/zinc/94/20/55/932942055.db2.gz ZXVGUTKXGHVISD-UHFFFAOYSA-N 1 0 375.476 3.811 20 30 GHEDRO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1C#N ZINC000799331975 932953805 /nfs/dbraw/zinc/95/38/05/932953805.db2.gz PYIDYFOTPJIPMV-UHFFFAOYSA-N 1 0 380.467 3.789 20 30 GHEDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C[C@@H](C)O2 ZINC000560051175 933036341 /nfs/dbraw/zinc/03/63/41/933036341.db2.gz UMEIRVDOSHCFOE-YDIMBITNSA-N 1 0 392.499 3.906 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)c1 ZINC000560173354 933111073 /nfs/dbraw/zinc/11/10/73/933111073.db2.gz FIIQVGGLALRHCV-UHFFFAOYSA-N 1 0 389.455 3.817 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001116032792 933295660 /nfs/dbraw/zinc/29/56/60/933295660.db2.gz QHSBBFLYHVXRMK-VXKWHMMOSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1ccsc1[C@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(Cl)cc1F ZINC000560585444 933362314 /nfs/dbraw/zinc/36/23/14/933362314.db2.gz SSRUVVVAEHIPTQ-MRXNPFEDSA-N 1 0 375.860 3.691 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)Nc3ccc(OCC#N)cc3)CC2)CC1 ZINC001116228012 933418117 /nfs/dbraw/zinc/41/81/17/933418117.db2.gz CGEHQNXWAKZYHB-UHFFFAOYSA-N 1 0 384.524 3.953 20 30 GHEDRO CCO[C@@H](C)c1nc(CN2CC[NH+](CC3CCC(C#N)CC3)CC2)cs1 ZINC000929722370 933594311 /nfs/dbraw/zinc/59/43/11/933594311.db2.gz AOWLOIYWRMNJER-AOCRQIFASA-N 1 0 376.570 3.688 20 30 GHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNc3cccc(CC#N)n3)cc2)C[C@H]1C ZINC001116636783 933678063 /nfs/dbraw/zinc/67/80/63/933678063.db2.gz XXQZCSFWMYZBIO-RTBURBONSA-N 1 0 378.520 3.769 20 30 GHEDRO C#CC1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001118124618 934091886 /nfs/dbraw/zinc/09/18/86/934091886.db2.gz ITXDIOPEQUPDLQ-APWZRJJASA-N 1 0 377.891 3.527 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]C3CCN(c4ccccc4C#N)CC3)C2)C1 ZINC001119246947 934318420 /nfs/dbraw/zinc/31/84/20/934318420.db2.gz MNVOSCNJPGEQLT-UHFFFAOYSA-N 1 0 396.535 3.516 20 30 GHEDRO N#CCOc1ccc(NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC001119277785 934323475 /nfs/dbraw/zinc/32/34/75/934323475.db2.gz BQDBEMIDFAMCKA-FQEVSTJZSA-N 1 0 391.475 3.517 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000931280589 934478521 /nfs/dbraw/zinc/47/85/21/934478521.db2.gz GXCLRBCMVVWKDB-AWEZNQCLSA-N 1 0 396.413 3.652 20 30 GHEDRO N#CCc1ccsc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001121147603 934575271 /nfs/dbraw/zinc/57/52/71/934575271.db2.gz YZVKHGGRNZUEFX-HSALFYBXSA-N 1 0 379.529 3.845 20 30 GHEDRO CCN(c1nnc(CCCCC#N)n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001121398689 934645668 /nfs/dbraw/zinc/64/56/68/934645668.db2.gz OMTHAXPPDMBBAO-ICSRJNTNSA-N 1 0 380.540 3.713 20 30 GHEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000562068475 934670681 /nfs/dbraw/zinc/67/06/81/934670681.db2.gz JTWVBTYTACQHSE-UHFFFAOYSA-N 1 0 392.322 3.615 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001121501578 934676481 /nfs/dbraw/zinc/67/64/81/934676481.db2.gz BLNYYXFOPXIJGD-RTBURBONSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c(-c2cncc3ccccc32)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001121553425 934695415 /nfs/dbraw/zinc/69/54/15/934695415.db2.gz QBOHILGJWLQKCE-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC001122056024 934810381 /nfs/dbraw/zinc/81/03/81/934810381.db2.gz AWVUSVMEFHFEBO-VQTJNVASSA-N 1 0 391.600 3.706 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)CC1 ZINC000932144339 934833727 /nfs/dbraw/zinc/83/37/27/934833727.db2.gz YPFZPRMYJWJZKD-UHFFFAOYSA-N 1 0 399.535 3.755 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]c2=O)CC1 ZINC000932144929 934833782 /nfs/dbraw/zinc/83/37/82/934833782.db2.gz YVSOQHKGSBNQNL-UHFFFAOYSA-N 1 0 393.409 3.730 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001122476550 934878907 /nfs/dbraw/zinc/87/89/07/934878907.db2.gz MNPIFTNNZOFNSZ-QGZVFWFLSA-N 1 0 398.555 3.863 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001122490801 934881896 /nfs/dbraw/zinc/88/18/96/934881896.db2.gz UWGFAVISCMVVJW-NRFANRHFSA-N 1 0 395.551 3.631 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001122541266 934894501 /nfs/dbraw/zinc/89/45/01/934894501.db2.gz NZCQCXIGMKGZJO-MANSERQUSA-N 1 0 389.588 3.692 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)[C@H](O)c2ccccc2)nnc1N1CCC[N@H+](CC)CC1 ZINC001122594151 934912289 /nfs/dbraw/zinc/91/22/89/934912289.db2.gz DGHSBGZFEIKAIO-NHCUHLMSSA-N 1 0 397.567 3.613 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2CC(C)C)C1 ZINC001122815000 934996962 /nfs/dbraw/zinc/99/69/62/934996962.db2.gz XPIFZUPJWDXZRC-CVDCTZTESA-N 1 0 398.599 3.828 20 30 GHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)c2)c1 ZINC001124663163 935440502 /nfs/dbraw/zinc/44/05/02/935440502.db2.gz DVUSJBJTNBYSPE-QFIPXVFZSA-N 1 0 390.483 3.684 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc(C#N)ccc3C(C)=O)CC2)cc1 ZINC000829000461 935752882 /nfs/dbraw/zinc/75/28/82/935752882.db2.gz CEZFIDZYPYCVHG-UHFFFAOYSA-N 1 0 390.487 3.796 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC001137754179 935772069 /nfs/dbraw/zinc/77/20/69/935772069.db2.gz QWYDDYOVQKBMDB-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC001137902828 935856677 /nfs/dbraw/zinc/85/66/77/935856677.db2.gz UKXOUXIECWRRPG-UHFFFAOYSA-N 1 0 377.488 3.708 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)cc1 ZINC001137903961 935857502 /nfs/dbraw/zinc/85/75/02/935857502.db2.gz CVXFNUVFGOBOCP-REWPJTCUSA-N 1 0 388.515 3.769 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001137903974 935857674 /nfs/dbraw/zinc/85/76/74/935857674.db2.gz DYZGXXKEJSZFGG-XMMPIXPASA-N 1 0 390.531 3.623 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)cc1 ZINC001137904167 935857894 /nfs/dbraw/zinc/85/78/94/935857894.db2.gz PTSLTFLJMOIHEP-JOCHJYFZSA-N 1 0 385.471 3.769 20 30 GHEDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCS1 ZINC001137904316 935858090 /nfs/dbraw/zinc/85/80/90/935858090.db2.gz YFXHQVYKJHMLIX-OAQYLSRUSA-N 1 0 395.528 3.807 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC3(CCC(O)CC3)CC2)cc1 ZINC000830331028 935931584 /nfs/dbraw/zinc/93/15/84/935931584.db2.gz NWXDTUKFWQLPLU-IBGZPJMESA-N 1 0 383.536 3.647 20 30 GHEDRO C=CC[N@@H+](CCSc1ccc(OC)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341332 947530666 /nfs/dbraw/zinc/53/06/66/947530666.db2.gz LMJPHXQWOTYTHS-UHFFFAOYSA-N 1 0 381.505 3.656 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001626754588 1014464716 /nfs/dbraw/zinc/46/47/16/1014464716.db2.gz KNTOOEHCEIREHX-UHFFFAOYSA-N 1 0 379.715 3.992 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)cc1 ZINC000470718437 1016869220 /nfs/dbraw/zinc/86/92/20/1016869220.db2.gz RZJJZRFNSUWMNH-AREMUKBSSA-N 1 0 399.538 3.823 20 30 GHEDRO N#Cc1c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc2cc(Cl)ccn12 ZINC000557558529 1017016938 /nfs/dbraw/zinc/01/69/38/1017016938.db2.gz KLNRTDPWLBNADL-KRWDZBQOSA-N 1 0 379.895 3.836 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000925042206 1017031878 /nfs/dbraw/zinc/03/18/78/1017031878.db2.gz BATIMNLNAGFEBV-UHFFFAOYSA-N 1 0 398.551 3.513 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)NCC2(Cc3ccc(F)cc3)CC[NH2+]CC2)c1 ZINC001220980657 1032220812 /nfs/dbraw/zinc/22/08/12/1032220812.db2.gz NDNTWUGIYYBVPI-UHFFFAOYSA-N 1 0 393.506 3.969 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001154885447 1032327310 /nfs/dbraw/zinc/32/73/10/1032327310.db2.gz OVIWQDPNFMNGHI-GOSISDBHSA-N 1 0 375.394 3.918 20 30 GHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221241047 1032345454 /nfs/dbraw/zinc/34/54/54/1032345454.db2.gz LYXBOEVMODNVLS-NBEIKUQISA-N 1 0 398.532 3.635 20 30 GHEDRO CC(C)C[C@](C)(C#N)NC(=O)[C@@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC001221293052 1032362768 /nfs/dbraw/zinc/36/27/68/1032362768.db2.gz YOJGXAUKZYJFHV-MOPGFXCFSA-N 1 0 392.341 3.558 20 30 GHEDRO N#C[C@H](c1ccc(N2CCN3CCc4ccccc4[C@H]3C2)nn1)c1ccccc1F ZINC001155094590 1032411603 /nfs/dbraw/zinc/41/16/03/1032411603.db2.gz CTFXJMKQIDNXPS-NZQKXSOJSA-N 1 0 399.473 3.691 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)C2)c1 ZINC001204224116 1032671144 /nfs/dbraw/zinc/67/11/44/1032671144.db2.gz QRMPXKDLKVTFQE-QHCPKHFHSA-N 1 0 397.469 3.955 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000926859550 1017318403 /nfs/dbraw/zinc/31/84/03/1017318403.db2.gz HXRXUQDAPBMARR-MSOLQXFVSA-N 1 0 391.556 3.997 20 30 GHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 ZINC000927008231 1017339494 /nfs/dbraw/zinc/33/94/94/1017339494.db2.gz MEMLVERDFYEWKJ-GVDBMIGSSA-N 1 0 380.529 3.510 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 ZINC000928653207 1017541664 /nfs/dbraw/zinc/54/16/64/1017541664.db2.gz DJFLQTRKDXIXDZ-UHFFFAOYSA-N 1 0 376.287 3.816 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000931487837 1017989459 /nfs/dbraw/zinc/98/94/59/1017989459.db2.gz IQFFSWPKBKQCRD-GOSISDBHSA-N 1 0 379.464 3.692 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001204303078 1032744242 /nfs/dbraw/zinc/74/42/42/1032744242.db2.gz ZFQOSKRXBWKEAQ-INIZCTEOSA-N 1 0 379.382 3.714 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ncccn1)C1CC1 ZINC000932358335 1018220728 /nfs/dbraw/zinc/22/07/28/1018220728.db2.gz WXJKGPNYCTYHDR-AUUYWEPGSA-N 1 0 381.505 3.550 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C2 ZINC001228042912 1032751116 /nfs/dbraw/zinc/75/11/16/1032751116.db2.gz JLOVTOQKRJGTAJ-XZOQPEGZSA-N 1 0 388.515 3.552 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC001155872943 1032755544 /nfs/dbraw/zinc/75/55/44/1032755544.db2.gz HVVJKWUTCAUGNP-UHFFFAOYSA-N 1 0 393.874 3.831 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(OCCCCC)cc3)CC2)C1=O ZINC001204313939 1032757175 /nfs/dbraw/zinc/75/71/75/1032757175.db2.gz OGAQQBPAHFDEEN-UHFFFAOYSA-N 1 0 399.579 3.550 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000778092186 1018350825 /nfs/dbraw/zinc/35/08/25/1018350825.db2.gz SWMLXYGCKKMQMI-SFHVURJKSA-N 1 0 384.842 3.574 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCC#N)cc1 ZINC000932580927 1018485018 /nfs/dbraw/zinc/48/50/18/1018485018.db2.gz BLALVEQASMGORW-UHFFFAOYSA-N 1 0 375.476 3.610 20 30 GHEDRO CCOC(=O)C1(C(F)(F)F)CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000932654913 1018561090 /nfs/dbraw/zinc/56/10/90/1018561090.db2.gz XAQYZZLCFVICLZ-UHFFFAOYSA-N 1 0 384.398 3.535 20 30 GHEDRO N#CC(CC[NH+]1CCC([C@@H]2COC(=O)N2)CC1)(c1ccccc1)c1ccccc1 ZINC000932779216 1018661639 /nfs/dbraw/zinc/66/16/39/1018661639.db2.gz ZAANLRUVVROKPJ-QFIPXVFZSA-N 1 0 389.499 3.707 20 30 GHEDRO CCOC(=O)CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944094 1018773597 /nfs/dbraw/zinc/77/35/97/1018773597.db2.gz QLJZMGOSYCDKAG-AOOOYVTPSA-N 1 0 397.306 3.823 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949675 1018781217 /nfs/dbraw/zinc/78/12/17/1018781217.db2.gz PUSLRBVRECNSCO-VWYCJHECSA-N 1 0 380.323 3.574 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](C3CCOCC3)C1)CCC2 ZINC000933081323 1018841319 /nfs/dbraw/zinc/84/13/19/1018841319.db2.gz INUCKDGIGRDQAF-MRXNPFEDSA-N 1 0 387.549 3.576 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)cc1C ZINC001204351897 1032789317 /nfs/dbraw/zinc/78/93/17/1032789317.db2.gz MQXZZPJEXVBTKA-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2)ncn1 ZINC000564416126 1019071439 /nfs/dbraw/zinc/07/14/39/1019071439.db2.gz YLYWWEFLYYZCFT-KRWDZBQOSA-N 1 0 389.425 3.688 20 30 GHEDRO COc1ccc(CN2CC[C@]3(CCC[N@H+](Cc4ccccc4C#N)C3)C2=O)cc1 ZINC001204367536 1032809486 /nfs/dbraw/zinc/80/94/86/1032809486.db2.gz MEPJREVZRJXMLM-DEOSSOPVSA-N 1 0 389.499 3.582 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001204368495 1032811338 /nfs/dbraw/zinc/81/13/38/1032811338.db2.gz YCXWFXXFZWJEDD-RPWUZVMVSA-N 1 0 379.548 3.519 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](C(C)(C)C)C3)sc2C1 ZINC000566079499 1019215497 /nfs/dbraw/zinc/21/54/97/1019215497.db2.gz KRXGUFQANSRSLM-RDTXWAMCSA-N 1 0 389.565 3.820 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)CC2 ZINC000570011640 1019548946 /nfs/dbraw/zinc/54/89/46/1019548946.db2.gz BGJNPAPJFKJNOY-MGPUTAFESA-N 1 0 385.305 3.749 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228212689 1032844749 /nfs/dbraw/zinc/84/47/49/1032844749.db2.gz RMDAHLWJHOQQHQ-INIZCTEOSA-N 1 0 380.429 3.729 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1F ZINC001204414906 1032845119 /nfs/dbraw/zinc/84/51/19/1032845119.db2.gz JZQGGVMPRXREJG-QWHCGFSZSA-N 1 0 375.284 3.813 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC000156694695 1019702345 /nfs/dbraw/zinc/70/23/45/1019702345.db2.gz GCNBDJRJTSTFKG-RTWAWAEBSA-N 1 0 378.497 3.889 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000571875436 1019722903 /nfs/dbraw/zinc/72/29/03/1019722903.db2.gz RULLZJJFPIETGI-KRWDZBQOSA-N 1 0 397.910 3.983 20 30 GHEDRO CC[C@H](CC#N)NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000157349741 1019827267 /nfs/dbraw/zinc/82/72/67/1019827267.db2.gz FDZIFFNIXNVRMF-QGZVFWFLSA-N 1 0 385.512 3.705 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1F ZINC001204429412 1032862274 /nfs/dbraw/zinc/86/22/74/1032862274.db2.gz SNKDWJYLFYVGAT-CHWSQXEVSA-N 1 0 375.284 3.813 20 30 GHEDRO CCC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(=O)N1CCc2sccc2C1 ZINC000576317051 1020005547 /nfs/dbraw/zinc/00/55/47/1020005547.db2.gz PGFPUVHIHBXTCZ-VQTJNVASSA-N 1 0 379.529 3.950 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000577085630 1020121859 /nfs/dbraw/zinc/12/18/59/1020121859.db2.gz JFLPZAOFSRLTCB-UHFFFAOYSA-N 1 0 388.515 3.900 20 30 GHEDRO Cc1cccc(Oc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000600722479 1020226411 /nfs/dbraw/zinc/22/64/11/1020226411.db2.gz QERUUGCQRIDHIY-HXUWFJFHSA-N 1 0 380.488 3.948 20 30 GHEDRO COc1ccc(C2(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)CCCCC2)cc1 ZINC000600722381 1020226791 /nfs/dbraw/zinc/22/67/91/1020226791.db2.gz RQXVSRQBWZKNHQ-FQEVSTJZSA-N 1 0 386.536 3.558 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000779048136 1020322813 /nfs/dbraw/zinc/32/28/13/1020322813.db2.gz IINHXJFXOJEDRR-UYAOXDASSA-N 1 0 377.488 3.731 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000779048133 1020323009 /nfs/dbraw/zinc/32/30/09/1020323009.db2.gz IINHXJFXOJEDRR-AZUAARDMSA-N 1 0 377.488 3.731 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000077325156 1020621453 /nfs/dbraw/zinc/62/14/53/1020621453.db2.gz CLYLNDCEVOHMBO-FQEVSTJZSA-N 1 0 378.520 3.816 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)ccc1F ZINC000191838879 1020820634 /nfs/dbraw/zinc/82/06/34/1020820634.db2.gz IATPKZUGZQNGND-UHFFFAOYSA-N 1 0 378.369 3.574 20 30 GHEDRO C[C@H](NC(=[NH2+])NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000303910724 1021147856 /nfs/dbraw/zinc/14/78/56/1021147856.db2.gz ZDKVEVVKJBPYMQ-QWRGUYRKSA-N 1 0 397.272 3.843 20 30 GHEDRO COC(=O)C1=C[C@@H](Oc2ccc(/C=C\C(C)=O)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001228495211 1032957490 /nfs/dbraw/zinc/95/74/90/1032957490.db2.gz YQLCAVAAHKCGKD-UFTUAFODSA-N 1 0 391.467 3.651 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)cc1 ZINC001140286714 1021318733 /nfs/dbraw/zinc/31/87/33/1021318733.db2.gz BMQYTVKISOYJRV-XMMPIXPASA-N 1 0 391.515 3.563 20 30 GHEDRO Fc1cc(Br)ccc1C1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)C1 ZINC000834966712 1021736923 /nfs/dbraw/zinc/73/69/23/1021736923.db2.gz RQQQGYQNXUFJJB-QEPHCTRTSA-N 1 0 379.277 3.682 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](Cc3ccc(C#N)nc3)C2)C1 ZINC001140541552 1021940361 /nfs/dbraw/zinc/94/03/61/1021940361.db2.gz LEAHGCLZFZDCNL-MOPGFXCFSA-N 1 0 384.524 3.812 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)CC2 ZINC001140628026 1022107893 /nfs/dbraw/zinc/10/78/93/1022107893.db2.gz PVNUKGFZHCFWPW-HXUWFJFHSA-N 1 0 380.435 3.527 20 30 GHEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3F)CC2)c1 ZINC001140661599 1022198268 /nfs/dbraw/zinc/19/82/68/1022198268.db2.gz KVXDTJSBSSGZCK-UHFFFAOYSA-N 1 0 379.479 3.914 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]12 ZINC001140755771 1022445255 /nfs/dbraw/zinc/44/52/55/1022445255.db2.gz SAUVXEGKTTVWHP-DDUZABMNSA-N 1 0 377.435 3.572 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]2C1 ZINC001140810167 1022593233 /nfs/dbraw/zinc/59/32/33/1022593233.db2.gz XDNHRWSCJAQNSE-DOTOQJQBSA-N 1 0 375.900 3.900 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001140814586 1022613036 /nfs/dbraw/zinc/61/30/36/1022613036.db2.gz NUFYZDIWSPROMU-BHYGNILZSA-N 1 0 375.900 3.947 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@H]12 ZINC001140814588 1022613317 /nfs/dbraw/zinc/61/33/17/1022613317.db2.gz NUFYZDIWSPROMU-HYVNUMGLSA-N 1 0 375.900 3.947 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754390077 1022666170 /nfs/dbraw/zinc/66/61/70/1022666170.db2.gz UPBCGGYSDMHSGO-LSDHHAIUSA-N 1 0 389.546 3.652 20 30 GHEDRO Cc1c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC001140843233 1022680098 /nfs/dbraw/zinc/68/00/98/1022680098.db2.gz LFIBVXXQAZGIKF-UHFFFAOYSA-N 1 0 386.499 3.542 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000836301921 1022844979 /nfs/dbraw/zinc/84/49/79/1022844979.db2.gz TUODKLRCDXVQHM-PMACEKPBSA-N 1 0 386.540 3.677 20 30 GHEDRO CC1(C)CN(Cc2ccccc2)C[C@H](COc2c(C#N)cccc2[N+](=O)[O-])O1 ZINC001228774322 1033089882 /nfs/dbraw/zinc/08/98/82/1033089882.db2.gz RPUIDTLLTBBNQG-GOSISDBHSA-N 1 0 381.432 3.525 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC001204808623 1033099798 /nfs/dbraw/zinc/09/97/98/1033099798.db2.gz NMSIVRCKKXWDRN-HXUWFJFHSA-N 1 0 380.435 3.899 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(-n2ccc3cc(C[NH3+])cnc32)cc1F ZINC001156594609 1033122797 /nfs/dbraw/zinc/12/27/97/1033122797.db2.gz LADNGNLCWATDNA-UHFFFAOYSA-N 1 0 378.798 3.605 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](C(C)C)C2)c1=S ZINC000755925490 1023438589 /nfs/dbraw/zinc/43/85/89/1023438589.db2.gz RTLSOABCFSCQKG-SFHVURJKSA-N 1 0 377.602 3.564 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(C)c3Br)C2)C1=O ZINC001141090326 1023467904 /nfs/dbraw/zinc/46/79/04/1023467904.db2.gz QGXHFFJBEJDQCZ-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001141106791 1023514824 /nfs/dbraw/zinc/51/48/24/1023514824.db2.gz IHZQUKHBPGIYHQ-UHFFFAOYSA-N 1 0 398.960 3.934 20 30 GHEDRO N#Cc1c(F)cccc1N1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC001204881107 1033141453 /nfs/dbraw/zinc/14/14/53/1033141453.db2.gz MNLRPXMTJPNXDJ-UHFFFAOYSA-N 1 0 393.384 3.961 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000757016968 1023908789 /nfs/dbraw/zinc/90/87/89/1023908789.db2.gz GHTWWZBULJUEGX-GMAHTHKFSA-N 1 0 375.516 3.962 20 30 GHEDRO Cc1ccc(F)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1F ZINC001138118317 1024152196 /nfs/dbraw/zinc/15/21/96/1024152196.db2.gz IDNSOLGTVCSJQY-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccc(OC)c3F)CC2)C1 ZINC001141218663 1024168504 /nfs/dbraw/zinc/16/85/04/1024168504.db2.gz XTAJDESHORVMCP-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cc(C(=O)OC)ccc13)C2 ZINC001138263646 1024498421 /nfs/dbraw/zinc/49/84/21/1024498421.db2.gz YDBVZIGOQUCEOA-GMAHTHKFSA-N 1 0 398.503 3.528 20 30 GHEDRO COc1cc2cccnc2c(N(c2nccc(C#N)c2F)[C@H](C)CCC[NH3+])c1 ZINC001156750837 1033223432 /nfs/dbraw/zinc/22/34/32/1033223432.db2.gz UXLCKWIHVJDUHI-CQSZACIVSA-N 1 0 379.439 3.915 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001141328985 1024574225 /nfs/dbraw/zinc/57/42/25/1024574225.db2.gz ZGHAGXBBUOPGNA-OAQYLSRUSA-N 1 0 391.515 3.933 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC001138347302 1024707883 /nfs/dbraw/zinc/70/78/83/1024707883.db2.gz UXEIYRQSMBATIY-WMZOPIPTSA-N 1 0 388.508 3.585 20 30 GHEDRO C#CCOc1ccc(CN(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1OC ZINC001138347860 1024709521 /nfs/dbraw/zinc/70/95/21/1024709521.db2.gz LYUBOBJSRCLDSU-UHFFFAOYSA-N 1 0 396.506 3.943 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(c3cccc(C(=O)OC)c3)CC2)cc1OC ZINC001138347502 1024709911 /nfs/dbraw/zinc/70/99/11/1024709911.db2.gz YLKIHTVKRUWPLX-UHFFFAOYSA-N 1 0 393.483 3.873 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(F)ccc3OC)C[C@@H]2c2ccccc2)C1=O ZINC001138370937 1024734028 /nfs/dbraw/zinc/73/40/28/1024734028.db2.gz MODJRVKLNBVWJC-QPPBQGQZSA-N 1 0 394.490 3.838 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-n3ccnc3C)cc1)CC2 ZINC001138549691 1024997429 /nfs/dbraw/zinc/99/74/29/1024997429.db2.gz SNPZAENRWWGGBD-QHCPKHFHSA-N 1 0 378.520 3.714 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1O ZINC001138628615 1025129909 /nfs/dbraw/zinc/12/99/09/1025129909.db2.gz YIPDBEBZOITVFV-GHTZIAJQSA-N 1 0 380.463 3.606 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1O ZINC001138630925 1025134713 /nfs/dbraw/zinc/13/47/13/1025134713.db2.gz GLEBRKCLQOELGQ-UHFFFAOYSA-N 1 0 390.487 3.778 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C1 ZINC001138662033 1025182523 /nfs/dbraw/zinc/18/25/23/1025182523.db2.gz NGGSSIYDGDITOA-VXKWHMMOSA-N 1 0 376.500 3.846 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001138664390 1025186964 /nfs/dbraw/zinc/18/69/64/1025186964.db2.gz PQYDMURAPGLXHV-QPPBQGQZSA-N 1 0 394.515 3.702 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000838678818 1025286099 /nfs/dbraw/zinc/28/60/99/1025286099.db2.gz MBGWRJTWDCCGSA-UHFFFAOYSA-N 1 0 391.515 3.505 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3ccccc3N3CCC(O)CC3)CC2)cc1 ZINC001138761205 1025317886 /nfs/dbraw/zinc/31/78/86/1025317886.db2.gz DKYYKQXOCYMDFU-UHFFFAOYSA-N 1 0 375.516 3.899 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc(N(CC)CC)s1)C2 ZINC001138801112 1025388540 /nfs/dbraw/zinc/38/85/40/1025388540.db2.gz LUVDLVABSXUVLB-QUCCMNQESA-N 1 0 379.570 3.563 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC001138878197 1025510322 /nfs/dbraw/zinc/51/03/22/1025510322.db2.gz BTUHDNQUDHNPRN-RBBKRZOGSA-N 1 0 385.483 3.790 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC001138880809 1025513994 /nfs/dbraw/zinc/51/39/94/1025513994.db2.gz AEVNTRAMGHIRKQ-QFIPXVFZSA-N 1 0 382.483 3.749 20 30 GHEDRO Cc1nc(NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cnc1C#N ZINC001162033233 1025552425 /nfs/dbraw/zinc/55/24/25/1025552425.db2.gz NKUAEXHFKGBTEY-UHFFFAOYSA-N 1 0 375.398 3.752 20 30 GHEDRO COc1cccc(CC2([NH3+])CCN(c3nc(C)c(Cl)c(C)c3C#N)CC2)c1 ZINC001162045520 1025560296 /nfs/dbraw/zinc/56/02/96/1025560296.db2.gz JCEGFNSZKHIQOZ-UHFFFAOYSA-N 1 0 384.911 3.773 20 30 GHEDRO N#Cc1c(F)ccnc1NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001162052479 1025566745 /nfs/dbraw/zinc/56/67/45/1025566745.db2.gz XALWNFHSAOZIHN-UHFFFAOYSA-N 1 0 378.373 3.888 20 30 GHEDRO N#Cc1cnc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)c(F)c1 ZINC001162051770 1025566867 /nfs/dbraw/zinc/56/68/67/1025566867.db2.gz BYOXXGOEGNNZNE-UHFFFAOYSA-N 1 0 378.373 3.888 20 30 GHEDRO COc1ccnc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c1C#N ZINC001162056312 1025571943 /nfs/dbraw/zinc/57/19/43/1025571943.db2.gz XHRNXSMKLAHEJC-UHFFFAOYSA-N 1 0 390.409 3.521 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)nc1N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162196775 1025662723 /nfs/dbraw/zinc/66/27/23/1025662723.db2.gz FJPDAJRWEDAFAS-SHTZXODSSA-N 1 0 376.291 3.932 20 30 GHEDRO Cc1sc2nc(CN3CCCCC3)nc(NC3(C#N)CC[NH+](C)CC3)c2c1C ZINC001162231367 1025681801 /nfs/dbraw/zinc/68/18/01/1025681801.db2.gz ITVWVDGBERAMAR-UHFFFAOYSA-N 1 0 398.580 3.694 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001141580451 1025686814 /nfs/dbraw/zinc/68/68/14/1025686814.db2.gz BEEGVABQZLWOOI-UHFFFAOYSA-N 1 0 391.490 3.978 20 30 GHEDRO Cc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC001162355671 1025724007 /nfs/dbraw/zinc/72/40/07/1025724007.db2.gz GJNMQWNUOUSFIL-UHFFFAOYSA-N 1 0 378.476 3.920 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001139028069 1025793938 /nfs/dbraw/zinc/79/39/38/1025793938.db2.gz KPXRYZUZJNJUBY-LADGPHEKSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001139032952 1025805165 /nfs/dbraw/zinc/80/51/65/1025805165.db2.gz XIKOEKZXDPCJKY-NRFANRHFSA-N 1 0 376.500 3.890 20 30 GHEDRO CCOC(=O)c1cc(C)nc(-n2cc(CC[NH3+])c3c2cccc3Cl)c1C#N ZINC001162654165 1025853656 /nfs/dbraw/zinc/85/36/56/1025853656.db2.gz PVKQZUFEKMJIEO-UHFFFAOYSA-N 1 0 382.851 3.537 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001162745703 1025902231 /nfs/dbraw/zinc/90/22/31/1025902231.db2.gz ZPKNHQHLUWDZAK-ZDUSSCGKSA-N 1 0 384.817 3.928 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cn(C)c3ccc(OC)cc13)CC2 ZINC001139147851 1025961550 /nfs/dbraw/zinc/96/15/50/1025961550.db2.gz NNVDQQWCLZEYAJ-HSZRJFAPSA-N 1 0 381.520 3.720 20 30 GHEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1(C)C ZINC001162904746 1025961672 /nfs/dbraw/zinc/96/16/72/1025961672.db2.gz JUFOSMNXNNOJKM-SFTDATJTSA-N 1 0 377.488 3.596 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1[nH]c(CCCC)nc1Cl)CCC2 ZINC001139177469 1026007135 /nfs/dbraw/zinc/00/71/35/1026007135.db2.gz FLLNLARQGQVJII-UHFFFAOYSA-N 1 0 377.920 3.711 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](Nc1ncc(Br)nc1C#N)CC21CC[NH2+]CC1 ZINC001163033932 1026016902 /nfs/dbraw/zinc/01/69/02/1026016902.db2.gz LIEXCRPLLASWDC-HNNXBMFYSA-N 1 0 398.308 3.597 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000839607378 1026105908 /nfs/dbraw/zinc/10/59/08/1026105908.db2.gz GPRVXRYRWRHXLY-MRXNPFEDSA-N 1 0 392.459 3.584 20 30 GHEDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cccc(N=C(c3ccccc3)c3ccccc3)c2)N1 ZINC001163255394 1026106508 /nfs/dbraw/zinc/10/65/08/1026106508.db2.gz VHSYBHPDGPLJNX-RCZVLFRGSA-N 1 0 396.494 3.846 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(N3CCCCC3)nc1)C2 ZINC001139341005 1026204775 /nfs/dbraw/zinc/20/47/75/1026204775.db2.gz NQVQGEJVFVMGDN-QHCPKHFHSA-N 1 0 382.552 3.605 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(-c3cnccn3)cc1)CC2 ZINC001139392744 1026261162 /nfs/dbraw/zinc/26/11/62/1026261162.db2.gz XDTBKTFURKJKNG-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@@H](F)[C@@](O)(C(F)(F)F)CC3)cc2)c1 ZINC001139401679 1026273392 /nfs/dbraw/zinc/27/33/92/1026273392.db2.gz FLEALTCWFAURIO-RTBURBONSA-N 1 0 393.384 3.848 20 30 GHEDRO COc1ccccc1-n1cc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)ccc1=O ZINC001163685506 1026283028 /nfs/dbraw/zinc/28/30/28/1026283028.db2.gz ORBWKDHKARZZKF-UHFFFAOYSA-N 1 0 387.361 3.902 20 30 GHEDRO CCOC(=O)c1cc2c(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)cc[nH]c-2n1 ZINC001163684485 1026283186 /nfs/dbraw/zinc/28/31/86/1026283186.db2.gz ZJJKOZPMJRTYBH-UHFFFAOYSA-N 1 0 376.338 3.795 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2c1 ZINC001163754471 1026303062 /nfs/dbraw/zinc/30/30/62/1026303062.db2.gz QEXSOUVWQNFEHH-MRXNPFEDSA-N 1 0 380.492 3.943 20 30 GHEDRO COC(=O)C=Cc1ccc(N=C(NO)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001163771043 1026311440 /nfs/dbraw/zinc/31/14/40/1026311440.db2.gz WIFNISFWZFZZNW-NYYWCZLTSA-N 1 0 380.322 3.829 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC[N@H+](Cc4ccncc4)CC3)nn2)cc1 ZINC001163826289 1026327172 /nfs/dbraw/zinc/32/71/72/1026327172.db2.gz DIXGXSUJQKTAFR-QFIPXVFZSA-N 1 0 398.514 3.548 20 30 GHEDRO Cc1nc(N2CCC(COCC[NH+]3CCCC3)CC2)c(C#N)c(C)c1Cl ZINC001163879280 1026348658 /nfs/dbraw/zinc/34/86/58/1026348658.db2.gz DQPWQDJWGLIXII-UHFFFAOYSA-N 1 0 376.932 3.552 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H]1C(C)(C)C ZINC001163929816 1026364801 /nfs/dbraw/zinc/36/48/01/1026364801.db2.gz NMOKHKIHLODRQQ-QFIPXVFZSA-N 1 0 391.515 3.940 20 30 GHEDRO N#Cc1cnc(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c(Br)c1 ZINC001164009467 1026385529 /nfs/dbraw/zinc/38/55/29/1026385529.db2.gz YVOGXGLWGQOKNP-KRWDZBQOSA-N 1 0 398.308 3.744 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139536479 1026396801 /nfs/dbraw/zinc/39/68/01/1026396801.db2.gz RYKWYSQGKNEBKH-UHFFFAOYSA-N 1 0 385.393 3.776 20 30 GHEDRO C[C@@]1(C[NH3+])CCCN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)CC1 ZINC001164249695 1026463828 /nfs/dbraw/zinc/46/38/28/1026463828.db2.gz FYVCJLPKSFZABW-CYBMUJFWSA-N 1 0 397.779 3.521 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1 ZINC001139649163 1026511044 /nfs/dbraw/zinc/51/10/44/1026511044.db2.gz PQQFJSDFGCHOMI-QHCPKHFHSA-N 1 0 375.447 3.598 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC(C[NH3+])(c4ccccc4)CC3)nn2)cc1 ZINC001164435822 1026512905 /nfs/dbraw/zinc/51/29/05/1026512905.db2.gz PTVRGGWWKWSMQJ-JOCHJYFZSA-N 1 0 397.526 3.937 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@]4(CC(=O)N(c5ccsc5)C4)C3)c[nH]c21 ZINC001139705043 1026549724 /nfs/dbraw/zinc/54/97/24/1026549724.db2.gz KLBIYRVFQYZMEE-NRFANRHFSA-N 1 0 376.485 3.730 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3C[C@@H]4CCN(C(=O)c5cccc(F)c5)[C@@H]4C3)c[nH]c21 ZINC001139705134 1026549819 /nfs/dbraw/zinc/54/98/19/1026549819.db2.gz MCMFUWHMFCRHGB-LAUBAEHRSA-N 1 0 388.446 3.525 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cccc(C(=O)OC)c13)C2 ZINC001139718666 1026561407 /nfs/dbraw/zinc/56/14/07/1026561407.db2.gz ICPMRDDCRMQWGI-NFBKMPQASA-N 1 0 398.503 3.528 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)cc1C#N ZINC001139725573 1026569825 /nfs/dbraw/zinc/56/98/25/1026569825.db2.gz VAQJSXLAONZFMM-JOCHJYFZSA-N 1 0 391.515 3.959 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001139866006 1026679053 /nfs/dbraw/zinc/67/90/53/1026679053.db2.gz XAFKLARTXXTIAV-UHFFFAOYSA-N 1 0 386.517 3.766 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1 ZINC001139869279 1026683301 /nfs/dbraw/zinc/68/33/01/1026683301.db2.gz CZXSUDCZABIABF-UHFFFAOYSA-N 1 0 380.488 3.506 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4CCN(C(=O)c5cccc(F)c5)[C@@H]4C3)c2c1 ZINC001140113671 1026894252 /nfs/dbraw/zinc/89/42/52/1026894252.db2.gz IJWMDRMMOLYPBP-HTAPYJJXSA-N 1 0 388.446 3.525 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4c[nH]c5ccc(C#N)cc45)CC[N@@H+]3C2)cc1 ZINC001140114275 1026895866 /nfs/dbraw/zinc/89/58/66/1026895866.db2.gz MSIVLWVOLVILOL-IRLDBZIGSA-N 1 0 386.499 3.686 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140115545 1026897036 /nfs/dbraw/zinc/89/70/36/1026897036.db2.gz FUYIPOMEALKEKM-UHFFFAOYSA-N 1 0 386.455 3.963 20 30 GHEDRO N#Cc1ccc2[nH]cc(CN3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001140114578 1026897509 /nfs/dbraw/zinc/89/75/09/1026897509.db2.gz XJHUNYHDGUJHQO-PZJWPPBQSA-N 1 0 390.462 3.516 20 30 GHEDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC001166874040 1027124924 /nfs/dbraw/zinc/12/49/24/1027124924.db2.gz QVTWOXUUWQLELT-AWEZNQCLSA-N 1 0 397.935 3.948 20 30 GHEDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2nc(Cl)c(Cl)c(C)c2C#N)C1 ZINC001166874671 1027126079 /nfs/dbraw/zinc/12/60/79/1027126079.db2.gz PUBBTOSHWOIZMU-JTQLQIEISA-N 1 0 396.347 3.757 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840086219 1027163505 /nfs/dbraw/zinc/16/35/05/1027163505.db2.gz LJCVLEOWJHGNSK-QFIPXVFZSA-N 1 0 397.592 3.566 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cccc2c1CCOC2 ZINC001203276089 1027257674 /nfs/dbraw/zinc/25/76/74/1027257674.db2.gz HPVFKQJPQUFAQL-UHFFFAOYSA-N 1 0 386.289 3.824 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1=S ZINC000840154611 1027288038 /nfs/dbraw/zinc/28/80/38/1027288038.db2.gz WTAZLXPUPPFPKD-GOSISDBHSA-N 1 0 389.544 3.778 20 30 GHEDRO Cc1cc(N)[nH+]cc1Nc1cc(Cl)c(C#N)cc1I ZINC001209969354 1027297349 /nfs/dbraw/zinc/29/73/49/1027297349.db2.gz LDBDVVXMDNRNLN-UHFFFAOYSA-N 1 0 384.608 3.846 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001203415445 1027322513 /nfs/dbraw/zinc/32/25/13/1027322513.db2.gz RCJGKRMVNGVJJZ-UHFFFAOYSA-N 1 0 375.432 3.970 20 30 GHEDRO N#CCOc1ccc(CC(=O)OCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000840227813 1027361907 /nfs/dbraw/zinc/36/19/07/1027361907.db2.gz JHALFRFNVNVLJO-UHFFFAOYSA-N 1 0 378.472 3.861 20 30 GHEDRO Cc1ccc(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)c(C#N)c1 ZINC001210569086 1027560807 /nfs/dbraw/zinc/56/08/07/1027560807.db2.gz BBWHYFBABPXESH-UHFFFAOYSA-N 1 0 389.547 3.827 20 30 GHEDRO CSc1nc(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)ccc1C#N ZINC001141941682 1027717282 /nfs/dbraw/zinc/71/72/82/1027717282.db2.gz SVPMLKZEUVIZSG-INIZCTEOSA-N 1 0 376.526 3.554 20 30 GHEDRO CSc1nc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC001141943634 1027721118 /nfs/dbraw/zinc/72/11/18/1027721118.db2.gz DBRYLZZBFJSHMX-UXHICEINSA-N 1 0 378.545 3.629 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)c(SC)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141945676 1027726817 /nfs/dbraw/zinc/72/68/17/1027726817.db2.gz IUANYIMPMYCRNX-QGZVFWFLSA-N 1 0 390.553 3.897 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000840760965 1027803831 /nfs/dbraw/zinc/80/38/31/1027803831.db2.gz LVNFCMOZEUHPIX-INIZCTEOSA-N 1 0 386.442 3.664 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001142065514 1028010447 /nfs/dbraw/zinc/01/04/47/1028010447.db2.gz NTHNKRAKXADVAD-OQQATXBSSA-N 1 0 386.536 3.900 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc2nc(C#N)sc2c1 ZINC001213547940 1028257554 /nfs/dbraw/zinc/25/75/54/1028257554.db2.gz ZEPIXSBQYFJKJB-UHFFFAOYSA-N 1 0 379.489 3.672 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(CC(F)(F)F)nc3)cc2C#N)CC1 ZINC001213916254 1028448777 /nfs/dbraw/zinc/44/87/77/1028448777.db2.gz IJMXYRHFUVTFDO-UHFFFAOYSA-N 1 0 375.398 3.553 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)OCCCO3)[C@@H]2CC ZINC001142258342 1028506864 /nfs/dbraw/zinc/50/68/64/1028506864.db2.gz OCZLMLFQLFXMQW-GGAORHGYSA-N 1 0 384.520 3.770 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2sc(SC3CCCC3)nc2C)CC1 ZINC000841390593 1028557193 /nfs/dbraw/zinc/55/71/93/1028557193.db2.gz JRDMJMUQJLWGAO-UHFFFAOYSA-N 1 0 379.595 3.795 20 30 GHEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC001214241082 1028615602 /nfs/dbraw/zinc/61/56/02/1028615602.db2.gz XTXKARPZQWNPOU-FQEVSTJZSA-N 1 0 397.544 3.626 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1ccc(Cl)cc1 ZINC001214345971 1028684447 /nfs/dbraw/zinc/68/44/47/1028684447.db2.gz UQILWHVUTXGPJS-OAQYLSRUSA-N 1 0 396.922 3.978 20 30 GHEDRO Cn1c(=O)c2ccccc2nc1N=NC1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841616934 1028779942 /nfs/dbraw/zinc/77/99/42/1028779942.db2.gz RJYYHOWWDYIMPX-NRFANRHFSA-N 1 0 387.487 3.701 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(Nc4cc(C#N)ccc4F)cc3)CC2)CC1 ZINC001214599449 1028813153 /nfs/dbraw/zinc/81/31/53/1028813153.db2.gz UYKPBZFKBGQMDP-UHFFFAOYSA-N 1 0 393.510 3.657 20 30 GHEDRO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000841762995 1028920599 /nfs/dbraw/zinc/92/05/99/1028920599.db2.gz SSFIYBGHUMACTQ-ICSRJNTNSA-N 1 0 387.524 3.845 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(F)c1I ZINC001461460379 1069559933 /nfs/dbraw/zinc/55/99/33/1069559933.db2.gz GTQLYAOLYLYBPD-IUODEOHRSA-N 1 0 375.225 3.501 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c2)s1 ZINC000841830726 1028970767 /nfs/dbraw/zinc/97/07/67/1028970767.db2.gz MTWWLLRSRCYYFE-OAQYLSRUSA-N 1 0 380.517 3.572 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001215272988 1029125447 /nfs/dbraw/zinc/12/54/47/1029125447.db2.gz CLRFTIRAJLMXSZ-RTBURBONSA-N 1 0 391.515 3.977 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@H]2C1 ZINC001142922580 1029697973 /nfs/dbraw/zinc/69/79/73/1029697973.db2.gz MXXKTWXDWSIYHY-WMZOPIPTSA-N 1 0 380.492 3.728 20 30 GHEDRO N#Cc1ccc2c(CN3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c[nH]c2c1 ZINC001142929106 1029710411 /nfs/dbraw/zinc/71/04/11/1029710411.db2.gz VWJNOUYXZYEDJH-FPOVZHCZSA-N 1 0 390.462 3.516 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(-c3cccc(N4CC[NH2+]CC4)c3)n2)c(C#N)c1 ZINC001216697275 1029732460 /nfs/dbraw/zinc/73/24/60/1029732460.db2.gz SFAGKHOMITYKIR-UHFFFAOYSA-N 1 0 387.487 3.982 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1=O ZINC001143256104 1029951247 /nfs/dbraw/zinc/95/12/47/1029951247.db2.gz DHEDNXHUNGXMQR-SFHVURJKSA-N 1 0 386.389 3.725 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4cccc(C(C)(C)C#N)c4)n3)cc2)CC1 ZINC001216843741 1029958838 /nfs/dbraw/zinc/95/88/38/1029958838.db2.gz SHGSFVRRZRPUMA-UHFFFAOYSA-N 1 0 387.487 3.957 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001216884509 1029979808 /nfs/dbraw/zinc/97/98/08/1029979808.db2.gz SKCPDIASDVLWHX-UHFFFAOYSA-N 1 0 392.547 3.745 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4ccc(C#N)cc4Cl)n3)c2)CC1 ZINC001216953039 1030027408 /nfs/dbraw/zinc/02/74/08/1030027408.db2.gz MDTMSJCCSLCMHX-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4ccc(Cl)c(C#N)c4)n3)c2)CC1 ZINC001216979129 1030049026 /nfs/dbraw/zinc/04/90/26/1030049026.db2.gz WYZGCJLDDUUAHF-UHFFFAOYSA-N 1 0 393.878 3.676 20 30 GHEDRO N#Cc1ccc([O-])c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591775 1030217861 /nfs/dbraw/zinc/21/78/61/1030217861.db2.gz YCIIVVRDUCYFKJ-JOCHJYFZSA-N 1 0 391.515 3.567 20 30 GHEDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)c1 ZINC001149848088 1030324055 /nfs/dbraw/zinc/32/40/55/1030324055.db2.gz PMHFEBQWGVJQNW-OAQYLSRUSA-N 1 0 379.479 3.674 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001222962741 1030368700 /nfs/dbraw/zinc/36/87/00/1030368700.db2.gz VGCXQIGXLYCULF-UHFFFAOYSA-N 1 0 399.579 3.709 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1OC[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C ZINC001217832916 1030658365 /nfs/dbraw/zinc/65/83/65/1030658365.db2.gz QXHHFXNCMIMJHW-REWPJTCUSA-N 1 0 391.552 3.860 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CCC[NH2+]C[C@@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001217945714 1030679035 /nfs/dbraw/zinc/67/90/35/1030679035.db2.gz CUQBHJSBJKNGJB-TXLWSROUSA-N 1 0 385.435 3.766 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CCCC[NH2+]C3)c(C#N)c2)nc1C ZINC001217970186 1030695594 /nfs/dbraw/zinc/69/55/94/1030695594.db2.gz JBSXLRYPUUJWKI-INIZCTEOSA-N 1 0 385.489 3.688 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001217985095 1030706057 /nfs/dbraw/zinc/70/60/57/1030706057.db2.gz DJGSAAWUCXAZMY-NOZJJQNGSA-N 1 0 388.103 3.850 20 30 GHEDRO C=CCc1c(O[C@@H](C)C2CC[NH2+]CC2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218006694 1030718376 /nfs/dbraw/zinc/71/83/76/1030718376.db2.gz RRCAESJKCPLMST-KRWDZBQOSA-N 1 0 389.499 3.881 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@H]2C[NH2+][C@H](C)C2)cc1 ZINC001218039406 1030736469 /nfs/dbraw/zinc/73/64/69/1030736469.db2.gz KNYYTFOBJCWGOS-BBOBZPQRSA-N 1 0 397.471 3.738 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@@H]3CC[NH2+]C[C@@H]3F)cc2)C=C1 ZINC001218067804 1030752612 /nfs/dbraw/zinc/75/26/12/1030752612.db2.gz UIUBVLXUYWZWCA-XZOQPEGZSA-N 1 0 391.442 3.968 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218084920 1030763500 /nfs/dbraw/zinc/76/35/00/1030763500.db2.gz LEGZVQUYXSWGCG-SWYOAFJASA-N 1 0 391.515 3.841 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CSC3(C[NH2+]C3)C2)c1C(=O)/C=C/c1ccccc1 ZINC001218102027 1030774203 /nfs/dbraw/zinc/77/42/03/1030774203.db2.gz LQZRMJCHOOQEQV-OZSKJFCKSA-N 1 0 397.496 3.523 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3CC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001218120968 1030782653 /nfs/dbraw/zinc/78/26/53/1030782653.db2.gz VAORYXXXHXIJIV-VXKWHMMOSA-N 1 0 399.512 3.605 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3CC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001218120960 1030783402 /nfs/dbraw/zinc/78/34/02/1030783402.db2.gz VAORYXXXHXIJIV-FCHUYYIVSA-N 1 0 399.512 3.605 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)nc2c(Br)cccc12 ZINC001218199368 1030821503 /nfs/dbraw/zinc/82/15/03/1030821503.db2.gz FBSNLZVJODYBDJ-QPUJVOFHSA-N 1 0 386.171 3.506 20 30 GHEDRO COC(=O)CCc1cc(C(C)(C)C)c(O[C@@H]2C[NH2+]C[C@H]2C#N)c(C(C)(C)C)c1 ZINC001218199228 1030824070 /nfs/dbraw/zinc/82/40/70/1030824070.db2.gz BULIZFIHYJXMDV-VQIMIIECSA-N 1 0 386.536 3.878 20 30 GHEDRO CC(C)c1cc(Br)c(O[C@@H]2C[NH2+]C[C@H]2C#N)c(Br)c1 ZINC001218203995 1030826942 /nfs/dbraw/zinc/82/69/42/1030826942.db2.gz UHGZOEQWKCDQME-ZWNOBZJWSA-N 1 0 388.103 3.825 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cccc(C(=O)CCc2ccc(OC)c(OC)c2)c1 ZINC001218203355 1030828293 /nfs/dbraw/zinc/82/82/93/1030828293.db2.gz DZISPIRSPBNSIO-QHCPKHFHSA-N 1 0 381.472 3.816 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(Br)c(Br)cc1OC ZINC001218207334 1030829429 /nfs/dbraw/zinc/82/94/29/1030829429.db2.gz PNDGXOVXWOCAEA-ZDUSSCGKSA-N 1 0 377.076 3.517 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCC#C[C@H]2CCCCO2)c1 ZINC001224034686 1030856453 /nfs/dbraw/zinc/85/64/53/1030856453.db2.gz HUBJYCDBKILBHH-JOCHJYFZSA-N 1 0 385.552 3.680 20 30 GHEDRO CCCCCCCC[C@@H](CC)Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c1=O ZINC001218354228 1030907081 /nfs/dbraw/zinc/90/70/81/1030907081.db2.gz DBBXMTDAYVHJKG-OAHLLOKOSA-N 1 0 395.544 3.669 20 30 GHEDRO C=C(C)C[C@H](Oc1nc2ccc(C(=O)CCN3CC[NH2+]CC3)cc2o1)C(=C)C ZINC001218435842 1030935484 /nfs/dbraw/zinc/93/54/84/1030935484.db2.gz GELHUTGJCJVRAU-FQEVSTJZSA-N 1 0 383.492 3.596 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(c1)OC[C@H](c1ccc(O)cc1)C2=O ZINC001218451163 1030940732 /nfs/dbraw/zinc/94/07/32/1030940732.db2.gz AWYLJFYIKGXBCX-NJDAHSKKSA-N 1 0 379.456 3.827 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(O)ccc1C(=O)Cc1ccc(OC)cc1 ZINC001218452196 1030942487 /nfs/dbraw/zinc/94/24/87/1030942487.db2.gz QZBQXHKWXUKYNO-IFMALSPDSA-N 1 0 381.472 3.902 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(C)c(Br)c(=O)oc2c1 ZINC001218452521 1030942553 /nfs/dbraw/zinc/94/25/53/1030942553.db2.gz WSPAFLWEPSJTNA-HUUCEWRRSA-N 1 0 378.266 3.939 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC001224253404 1030944010 /nfs/dbraw/zinc/94/40/10/1030944010.db2.gz KMVCIFFVGJTDKJ-MJGOQNOKSA-N 1 0 393.453 3.738 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)c2)cc1OC ZINC001218460586 1030946681 /nfs/dbraw/zinc/94/66/81/1030946681.db2.gz MYYSCNCIONULOB-ZSFKEQFZSA-N 1 0 393.483 3.977 20 30 GHEDRO N#Cc1c(NC(=O)[C@]2(N)CCC[NH2+]C2)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218552363 1030984614 /nfs/dbraw/zinc/98/46/14/1030984614.db2.gz DNPHXEXFQQAFQS-QHCPKHFHSA-N 1 0 386.455 3.505 20 30 GHEDRO CCOC(=O)[C@H]1CC[C@@H](OCC[S+](c2ccccc2)c2ccccc2)CO1 ZINC001224637428 1031066671 /nfs/dbraw/zinc/06/66/71/1031066671.db2.gz SSIRZXDBKQBWTH-WIYYLYMNSA-N 1 0 387.521 3.850 20 30 GHEDRO Cc1ccc2ccccc2c1NC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH2+]CC1 ZINC001218811248 1031088618 /nfs/dbraw/zinc/08/86/18/1031088618.db2.gz MFZWGTRHHCYURF-QHCPKHFHSA-N 1 0 384.483 3.605 20 30 GHEDRO C#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001224761952 1031106480 /nfs/dbraw/zinc/10/64/80/1031106480.db2.gz JDBDKAJGTQIYGX-WXFUMESZSA-N 1 0 387.527 3.768 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(N=S(C)(C)=O)c1)C(C)C ZINC001219060960 1031236394 /nfs/dbraw/zinc/23/63/94/1031236394.db2.gz HGDJVXQVPYTUBP-IBGZPJMESA-N 1 0 392.569 3.866 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(C#Cc4ccc(F)cc4)cc3)C[C@H]1[N@@H+]2C ZINC001226004238 1031736325 /nfs/dbraw/zinc/73/63/25/1031736325.db2.gz HPYSNDWPAFMAAQ-XGAJZPNHSA-N 1 0 393.458 3.771 20 30 GHEDRO CC(C)(NC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC001220066027 1031764313 /nfs/dbraw/zinc/76/43/13/1031764313.db2.gz NXQGPBPYXQJSEV-SFHVURJKSA-N 1 0 389.421 3.888 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)c2ccccc2)CC1 ZINC001220098400 1031784026 /nfs/dbraw/zinc/78/40/26/1031784026.db2.gz RXSZDXWOFMGRAE-SJORKVTESA-N 1 0 382.430 3.603 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)N[C@@H]2CCc3c2cccc3C#N)cc1 ZINC001220597117 1032002329 /nfs/dbraw/zinc/00/23/29/1032002329.db2.gz VIYOGPIMBDCVGY-PGRDOPGGSA-N 1 0 391.515 3.799 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc2c(c1)OC(F)(F)O2)C(C)C ZINC001220600751 1032005444 /nfs/dbraw/zinc/00/54/44/1032005444.db2.gz TZWUEJCRSKOMAH-INIZCTEOSA-N 1 0 395.450 3.506 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001220664037 1032051733 /nfs/dbraw/zinc/05/17/33/1032051733.db2.gz UTQRKKXCYPWCRZ-JTSKRJEESA-N 1 0 392.499 3.511 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1F ZINC001461837944 1069781124 /nfs/dbraw/zinc/78/11/24/1069781124.db2.gz LECDMPXEPOHXJJ-GCJKJVERSA-N 1 0 381.495 3.895 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)ccc1F ZINC001205467868 1033426791 /nfs/dbraw/zinc/42/67/91/1033426791.db2.gz ZCWDAVVQFZVVEC-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO N#CC1(c2ccc(-c3ccc(CC[NH+]4CCOCC4)cc3)cc2)CCOCC1 ZINC001205653886 1033512222 /nfs/dbraw/zinc/51/22/22/1033512222.db2.gz BAIPOSYLLJYHMQ-UHFFFAOYSA-N 1 0 376.500 3.800 20 30 GHEDRO C=CCNC(=O)c1cccnc1-n1cc(C2CC[NH2+]CC2)c2cccc(F)c21 ZINC001157359758 1033553414 /nfs/dbraw/zinc/55/34/14/1033553414.db2.gz YTMDWUXAYNDLKU-UHFFFAOYSA-N 1 0 378.451 3.547 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001229591532 1033580139 /nfs/dbraw/zinc/58/01/39/1033580139.db2.gz QVPVGQLRVSARRL-HFTQHKIXSA-N 1 0 383.444 3.563 20 30 GHEDRO Cc1ccc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)nc1C#N ZINC001157667436 1033711551 /nfs/dbraw/zinc/71/15/51/1033711551.db2.gz MZEWPJHWRMCUPP-UHFFFAOYSA-N 1 0 390.531 3.912 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cccc(I)c2F)no1 ZINC001206100711 1033720969 /nfs/dbraw/zinc/72/09/69/1033720969.db2.gz SHORKMNFRQJRJU-UHFFFAOYSA-N 1 0 399.207 3.589 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]2C1 ZINC001157700361 1033729128 /nfs/dbraw/zinc/72/91/28/1033729128.db2.gz QMYIOOKBMISKRI-OYRHEFFESA-N 1 0 376.504 3.505 20 30 GHEDRO N#Cc1cc(OC(F)(F)F)ccc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001229834595 1033742507 /nfs/dbraw/zinc/74/25/07/1033742507.db2.gz CGKDXWZBKWDGKK-GOSISDBHSA-N 1 0 392.377 3.737 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001206203007 1033763001 /nfs/dbraw/zinc/76/30/01/1033763001.db2.gz LDWBDEYGGNJGAD-CYBMUJFWSA-N 1 0 382.302 3.572 20 30 GHEDRO COc1cc(O[C@H]2C[NH+]3CCC2CC3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001230165703 1033926410 /nfs/dbraw/zinc/92/64/10/1033926410.db2.gz BOGLFUGFJBDADY-LKYAVPRHSA-N 1 0 379.456 3.770 20 30 GHEDRO C=C[C@@H](Oc1ncc(-c2ccc(C[NH+](C)C)cc2)c2c(O)cccc12)C(=O)OC ZINC001230176288 1033931817 /nfs/dbraw/zinc/93/18/17/1033931817.db2.gz RUJVDNQAJQWXMX-HXUWFJFHSA-N 1 0 392.455 3.775 20 30 GHEDRO C=C[C@H](Oc1ncc(-c2ccc(C[NH+](C)C)cc2)c2c(O)cccc12)C(=O)OC ZINC001230176287 1033932144 /nfs/dbraw/zinc/93/21/44/1033932144.db2.gz RUJVDNQAJQWXMX-FQEVSTJZSA-N 1 0 392.455 3.775 20 30 GHEDRO C[N@@H+]1CCC[C@H](Oc2nnc(Cc3ccc(F)c(C#N)c3)c3ccccc32)C1 ZINC001230261206 1033968935 /nfs/dbraw/zinc/96/89/35/1033968935.db2.gz ZJFCOZGDDKZFBX-KRWDZBQOSA-N 1 0 376.435 3.704 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001158314341 1034017664 /nfs/dbraw/zinc/01/76/64/1034017664.db2.gz DYEWWLXQPWSHNZ-ZDUSSCGKSA-N 1 0 391.302 3.714 20 30 GHEDRO C=CCN(CC[N@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21)C(=O)OC(C)(C)C ZINC001207201066 1034171018 /nfs/dbraw/zinc/17/10/18/1034171018.db2.gz JMXWGVDFOWDOIO-VAMGGRTRSA-N 1 0 396.572 3.704 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCCc3ccc(C[NH3+])nc32)c1 ZINC001158656329 1034217735 /nfs/dbraw/zinc/21/77/35/1034217735.db2.gz YIUUIOPSVBDGEY-UHFFFAOYSA-N 1 0 392.850 3.732 20 30 GHEDRO N#Cc1cnc2cc[nH]c(-n3cc(CC[NH3+])c4ccc(OC(F)(F)F)cc43)c1-2 ZINC001158669942 1034225157 /nfs/dbraw/zinc/22/51/57/1034225157.db2.gz JPEGHXIEUVOVBD-UHFFFAOYSA-N 1 0 385.349 3.778 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(C)cc(Br)cc3C)C2)C1=O ZINC001277467071 1034263186 /nfs/dbraw/zinc/26/31/86/1034263186.db2.gz OEDWMRGFFPOHMG-IBGZPJMESA-N 1 0 377.326 3.676 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCc1c(Cl)ncnc1Cl)[C@@H]2CC ZINC001207324775 1034273099 /nfs/dbraw/zinc/27/30/99/1034273099.db2.gz DSQRMYALTDOQCM-BEFAXECRSA-N 1 0 397.350 3.748 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001207377364 1034321283 /nfs/dbraw/zinc/32/12/83/1034321283.db2.gz IJVZFZKWHUMSKQ-QUCCMNQESA-N 1 0 385.508 3.801 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1ccc(Br)cc1)C2 ZINC001207382317 1034326174 /nfs/dbraw/zinc/32/61/74/1034326174.db2.gz JCNBDRXNCNPLMR-RBUKOAKNSA-N 1 0 380.326 3.818 20 30 GHEDRO C#CCC[C@H](O)C[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001207381219 1034326739 /nfs/dbraw/zinc/32/67/39/1034326739.db2.gz HXKWPSWAURLKEP-KDOFPFPSSA-N 1 0 376.294 3.734 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159019238 1034384437 /nfs/dbraw/zinc/38/44/37/1034384437.db2.gz FVTSERVUZHNCSS-UHFFFAOYSA-N 1 0 375.592 3.952 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCCc4cccc(F)c4)C3)CC2=O)c1 ZINC001207600957 1034479891 /nfs/dbraw/zinc/47/98/91/1034479891.db2.gz AGRYSWNSXYLEGR-QHCPKHFHSA-N 1 0 377.463 3.759 20 30 GHEDRO C=CCOC[C@H]1C[N@H+](CCCCc2ccccc2)Cc2nnn(CC3CC3)c21 ZINC001207612270 1034488168 /nfs/dbraw/zinc/48/81/68/1034488168.db2.gz SRTFMFAQRXNCPG-OAQYLSRUSA-N 1 0 380.536 3.813 20 30 GHEDRO C=C(C)C(=O)Nc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001231316417 1034512358 /nfs/dbraw/zinc/51/23/58/1034512358.db2.gz HBGQJRVUALVOHJ-QFIPXVFZSA-N 1 0 380.488 3.871 20 30 GHEDRO N#Cc1cc(Nc2ccc3nc(-c4ccc(F)cc4)nn3c2)cc(C2C[NH2+]C2)c1 ZINC001159416102 1034590021 /nfs/dbraw/zinc/59/00/21/1034590021.db2.gz IRIUMZWVCVYMGF-UHFFFAOYSA-N 1 0 384.418 3.837 20 30 GHEDRO CCc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)s1 ZINC001231498544 1034640625 /nfs/dbraw/zinc/64/06/25/1034640625.db2.gz FUAAQZMPZFPNQS-JOCHJYFZSA-N 1 0 396.560 3.696 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(O)c(C(F)(F)F)c1)CC2 ZINC001231524623 1034676721 /nfs/dbraw/zinc/67/67/21/1034676721.db2.gz RXCYUDPFQXDXLN-UHFFFAOYSA-N 1 0 384.398 3.631 20 30 GHEDRO O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#Cc3ccccc3)C[C@@H]2C1 ZINC001231576706 1034726178 /nfs/dbraw/zinc/72/61/78/1034726178.db2.gz GVZBQTDQTSPFHL-PSWAGMNNSA-N 1 0 396.490 3.883 20 30 GHEDRO N#Cc1cc(Nc2cccc(Br)c2F)ccc1N1CC[NH2+]CC1 ZINC001159749023 1034732400 /nfs/dbraw/zinc/73/24/00/1034732400.db2.gz VNQUBWLIHBIVSX-UHFFFAOYSA-N 1 0 375.245 3.613 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(-c4ccc(C)o4)cc3)CC2)C1=O ZINC001231596911 1034753119 /nfs/dbraw/zinc/75/31/19/1034753119.db2.gz WUFZNHGVEWWULQ-UHFFFAOYSA-N 1 0 393.531 3.550 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001231618513 1034775745 /nfs/dbraw/zinc/77/57/45/1034775745.db2.gz INXLGIQQTGXLTQ-QFIPXVFZSA-N 1 0 395.528 3.757 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC001231620070 1034778304 /nfs/dbraw/zinc/77/83/04/1034778304.db2.gz WYWNHDGHAPVXFC-UXHICEINSA-N 1 0 384.483 3.739 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccc(OC)cc4)C3=O)C2)c1 ZINC001231655013 1034813113 /nfs/dbraw/zinc/81/31/13/1034813113.db2.gz JPXDJZMOUFDWOL-VWLOTQADSA-N 1 0 388.511 3.691 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)c1 ZINC001231657475 1034815093 /nfs/dbraw/zinc/81/50/93/1034815093.db2.gz QRTBBPKMHIHSSU-OAQYLSRUSA-N 1 0 385.433 3.940 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC(Oc3ccccc3C(=O)NC(C)C)CC2)c1 ZINC001231662987 1034817417 /nfs/dbraw/zinc/81/74/17/1034817417.db2.gz MXRHILWIIZTASH-UHFFFAOYSA-N 1 0 376.500 3.850 20 30 GHEDRO Cc1nc(-c2ccncc2)nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C ZINC001160107247 1034863656 /nfs/dbraw/zinc/86/36/56/1034863656.db2.gz KPXHHKCRWHEYHG-UHFFFAOYSA-N 1 0 398.514 3.548 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001208361735 1034870373 /nfs/dbraw/zinc/87/03/73/1034870373.db2.gz MJPHNBHPQQICSW-KGLIPLIRSA-N 1 0 391.562 3.623 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001208361733 1034871011 /nfs/dbraw/zinc/87/10/11/1034871011.db2.gz MJPHNBHPQQICSW-KBPBESRZSA-N 1 0 391.562 3.623 20 30 GHEDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001208405794 1034885661 /nfs/dbraw/zinc/88/56/61/1034885661.db2.gz LHQNLVLNIPOZEV-JXFKEZNVSA-N 1 0 378.476 3.599 20 30 GHEDRO COc1ccc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208406168 1034886680 /nfs/dbraw/zinc/88/66/80/1034886680.db2.gz XYAMMKYUYPICCH-IEBWSBKVSA-N 1 0 392.503 3.989 20 30 GHEDRO Cc1c(F)ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCC#N)CC2)c1Cl ZINC001277567794 1034912032 /nfs/dbraw/zinc/91/20/32/1034912032.db2.gz UVYXCVGAVAFGFN-MRXNPFEDSA-N 1 0 377.891 3.810 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231816765 1034926408 /nfs/dbraw/zinc/92/64/08/1034926408.db2.gz SDNVEXOWBIOJDV-GOSISDBHSA-N 1 0 386.540 3.725 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC001231817260 1034926490 /nfs/dbraw/zinc/92/64/90/1034926490.db2.gz XXLOVVZCPDVUGY-SFHVURJKSA-N 1 0 386.540 3.868 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC001231817140 1034926565 /nfs/dbraw/zinc/92/65/65/1034926565.db2.gz WQPKILGNIVPWDS-UHFFFAOYSA-N 1 0 391.544 3.968 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)cc1 ZINC001231820796 1034929339 /nfs/dbraw/zinc/92/93/39/1034929339.db2.gz UERKZBJCDPSKFL-GOTSBHOMSA-N 1 0 390.531 3.660 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(C)cc(F)cc3Br)C2)C1=O ZINC001277596753 1035028781 /nfs/dbraw/zinc/02/87/81/1035028781.db2.gz LUODVRGUJQAOBU-SFHVURJKSA-N 1 0 381.289 3.507 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc(C)n1 ZINC001231999557 1035034962 /nfs/dbraw/zinc/03/49/62/1035034962.db2.gz QPIUEJCENJOWAE-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC001160740224 1035051486 /nfs/dbraw/zinc/05/14/86/1035051486.db2.gz ZGHRTTNBXXUPMR-PMACEKPBSA-N 1 0 391.943 3.631 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1F ZINC001160742827 1035052426 /nfs/dbraw/zinc/05/24/26/1035052426.db2.gz WGJVWIBIVXELQL-RISCZKNCSA-N 1 0 399.779 3.760 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)CCCCCCC[NH3+])CC2)cc1Cl ZINC001160751195 1035056854 /nfs/dbraw/zinc/05/68/54/1035056854.db2.gz SYTOJDWZFXTDIS-UHFFFAOYSA-N 1 0 377.916 3.881 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@H+](CCCc4cccc(C#N)c4)C3)CC2=O)s1 ZINC001208851771 1035058668 /nfs/dbraw/zinc/05/86/68/1035058668.db2.gz DSKLADJRULHOHK-QFIPXVFZSA-N 1 0 379.529 3.990 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ncc(Br)cc1C)CC2 ZINC001232046330 1035060689 /nfs/dbraw/zinc/06/06/89/1035060689.db2.gz JVEYTFMRESKHQS-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1 ZINC001208859325 1035063177 /nfs/dbraw/zinc/06/31/77/1035063177.db2.gz PHMVAZCHAPRWDY-VWNXMTODSA-N 1 0 391.515 3.836 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](CCCc3ccc(C#N)cc3)CC2)C1=O ZINC001208861859 1035064413 /nfs/dbraw/zinc/06/44/13/1035064413.db2.gz QORMCFLWOJIQMP-QHCPKHFHSA-N 1 0 387.527 3.829 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)cc1 ZINC001208861841 1035064847 /nfs/dbraw/zinc/06/48/47/1035064847.db2.gz QCBVCYWRYFMWLP-QFIPXVFZSA-N 1 0 379.548 3.899 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2)C(F)(F)F ZINC001208893346 1035078899 /nfs/dbraw/zinc/07/88/99/1035078899.db2.gz IOIUQTIBOVFBSA-LPHOPBHVSA-N 1 0 381.442 3.675 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](CC1CCN(c3ccccc3)CC1)CCO2 ZINC001208907415 1035083550 /nfs/dbraw/zinc/08/35/50/1035083550.db2.gz FIYXFQMFFVNWPN-ISKFKSNPSA-N 1 0 384.564 3.977 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)cc1 ZINC001208922445 1035090085 /nfs/dbraw/zinc/09/00/85/1035090085.db2.gz GWNNZGXURZLOPE-JOCHJYFZSA-N 1 0 379.529 3.791 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)cc1Cl ZINC001232114916 1035104356 /nfs/dbraw/zinc/10/43/56/1035104356.db2.gz ZNOBOROVPRLOBA-QFIPXVFZSA-N 1 0 394.906 3.764 20 30 GHEDRO CC(C)CN(Cc1c(C(=O)OC(C)(C)C)cnn1C)Cc1ccc(C#N)cc1 ZINC001461939206 1069903097 /nfs/dbraw/zinc/90/30/97/1069903097.db2.gz ZQFMFCJSODJZPU-UHFFFAOYSA-N 1 0 382.508 3.905 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ncc(C)cc1Br)CC2 ZINC001232175750 1035145858 /nfs/dbraw/zinc/14/58/58/1035145858.db2.gz MFEXJMLRGSORQF-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)N2CCC(C3CC[NH2+]CC3)CC2)c(F)c1F ZINC001161213813 1035182473 /nfs/dbraw/zinc/18/24/73/1035182473.db2.gz JLZQAQGJFGTIGI-UHFFFAOYSA-N 1 0 384.417 3.823 20 30 GHEDRO N#Cc1c(Cl)cc(Cl)nc1NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161244507 1035190263 /nfs/dbraw/zinc/19/02/63/1035190263.db2.gz MINCCWHUUKMDDL-UHFFFAOYSA-N 1 0 376.291 3.979 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCCc4ccncc4)C3)C2)c1 ZINC001209188695 1035205006 /nfs/dbraw/zinc/20/50/06/1035205006.db2.gz SABKHFVWWDKFOK-XMMPIXPASA-N 1 0 390.531 3.505 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H]([NH3+])c3ccc4ccccc4c3)C2)cc1 ZINC001161324165 1035208507 /nfs/dbraw/zinc/20/85/07/1035208507.db2.gz LHVUSERLUBFBBD-DHIUTWEWSA-N 1 0 385.467 3.781 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCc4ccc(F)c(F)c4)C3)CC2=O)c1 ZINC001209243149 1035218281 /nfs/dbraw/zinc/21/82/81/1035218281.db2.gz DFDLBISPIPFBAA-JOCHJYFZSA-N 1 0 381.426 3.508 20 30 GHEDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001161574095 1035262033 /nfs/dbraw/zinc/26/20/33/1035262033.db2.gz BUEWMTNNZGIBQA-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCCCCC[NH+]1CCC(c2cc3c(ncn3C)c(N3CCOCC3)n2)CC1 ZINC001209423156 1035272018 /nfs/dbraw/zinc/27/20/18/1035272018.db2.gz PGRPKWYGWABQGN-UHFFFAOYSA-N 1 0 397.567 3.731 20 30 GHEDRO C=CCCCCCC[NH+]1CCC2(CC1)OCC(=O)N(Cc1cccnc1)[C@H]2C ZINC001209437827 1035274379 /nfs/dbraw/zinc/27/43/79/1035274379.db2.gz VYEGDTGANGQNCZ-FQEVSTJZSA-N 1 0 385.552 3.800 20 30 GHEDRO C=CCCCCCC[N@@H+]1CC[C@H]2C(=O)N(C)C[C@H](COCC3CC3)[C@H]2CC1 ZINC001209437723 1035274574 /nfs/dbraw/zinc/27/45/74/1035274574.db2.gz RQKCXMOFBIPWPW-YPAWHYETSA-N 1 0 376.585 3.966 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161819738 1035308183 /nfs/dbraw/zinc/30/81/83/1035308183.db2.gz HOXXIHLCIUEFIR-HXUWFJFHSA-N 1 0 395.869 3.869 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161885009 1035321613 /nfs/dbraw/zinc/32/16/13/1035321613.db2.gz FUBFLDLOPWEPSU-KRWDZBQOSA-N 1 0 377.879 3.653 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC001209649559 1035342643 /nfs/dbraw/zinc/34/26/43/1035342643.db2.gz LNQVKUPOBYNCKC-UHFFFAOYSA-N 1 0 376.460 3.566 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cccc4c(Cl)ccnc34)no2)c1 ZINC001248154196 1035580187 /nfs/dbraw/zinc/58/01/87/1035580187.db2.gz CIZFZIFDRVDZOI-OAHLLOKOSA-N 1 0 389.846 3.922 20 30 GHEDRO Cc1cc(Br)cc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)c1 ZINC001248156750 1035582441 /nfs/dbraw/zinc/58/24/41/1035582441.db2.gz DASLSPITRXFCBE-QGZVFWFLSA-N 1 0 397.276 3.792 20 30 GHEDRO Cc1c(Br)cccc1-c1noc(C[C@@H]([NH3+])Cc2ccc(C#N)cc2)n1 ZINC001248156112 1035583189 /nfs/dbraw/zinc/58/31/89/1035583189.db2.gz FDLLMGDAMCRFJD-HNNXBMFYSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccccc3OC(F)(F)F)no2)cc1 ZINC001248157085 1035584353 /nfs/dbraw/zinc/58/43/53/1035584353.db2.gz NGUBZHZWFBDJQI-AWEZNQCLSA-N 1 0 388.349 3.619 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cccc4c(Cl)ccnc34)no2)cc1 ZINC001248157546 1035584754 /nfs/dbraw/zinc/58/47/54/1035584754.db2.gz OGNTXECTNSTAHD-OAHLLOKOSA-N 1 0 389.846 3.922 20 30 GHEDRO CC[NH+]1CCN(c2ccc(-c3nc4ccccc4nc3C(C#N)C#N)cc2)CC1 ZINC001241742531 1035667023 /nfs/dbraw/zinc/66/70/23/1035667023.db2.gz LUYZWZZOPQKKDJ-UHFFFAOYSA-N 1 0 382.471 3.569 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)ccc2C#N)cc1 ZINC001241766584 1035687652 /nfs/dbraw/zinc/68/76/52/1035687652.db2.gz OCTVDYZZHPWZCI-UHFFFAOYSA-N 1 0 388.446 3.718 20 30 GHEDRO CC#Cc1cncc(-c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)c1 ZINC001242940118 1035999648 /nfs/dbraw/zinc/99/96/48/1035999648.db2.gz AMAIIBVWHMFPTI-IBGZPJMESA-N 1 0 385.471 3.630 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001248752976 1036110411 /nfs/dbraw/zinc/11/04/11/1036110411.db2.gz KDVOUAFVOSCCFD-INIZCTEOSA-N 1 0 376.382 3.583 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC001245422787 1036917543 /nfs/dbraw/zinc/91/75/43/1036917543.db2.gz KWBGSNRSTBBUMF-AJMKYIRUSA-N 1 0 389.565 3.539 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)CNCc1nnc2n1CCC[NH2+]C2 ZINC001245988357 1037110689 /nfs/dbraw/zinc/11/06/89/1037110689.db2.gz VKRJLZOFKKBTKM-LJQANCHMSA-N 1 0 379.593 3.533 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN[C@@H]1CC[NH2+][C@@H]1C ZINC001245985146 1037110743 /nfs/dbraw/zinc/11/07/43/1037110743.db2.gz SXPKDGUMTFPXTB-YPAWHYETSA-N 1 0 386.621 3.641 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246029237 1037146682 /nfs/dbraw/zinc/14/66/82/1037146682.db2.gz VWIIGSVCUVFRKK-XPWALMASSA-N 1 0 398.632 3.738 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[N@@H+]1CCCO[C@]2(CNCCOC2)C1 ZINC001246034556 1037152669 /nfs/dbraw/zinc/15/26/69/1037152669.db2.gz QGDPWVIQACRPSK-XZOQPEGZSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[NH2+]C2(CC2)C1 ZINC001246048058 1037159558 /nfs/dbraw/zinc/15/95/58/1037159558.db2.gz XOEMMUDTZXZDAY-QFIPXVFZSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCCCCC[NH2+][C@@]12CC[C@@](NS(=O)(=O)N(C)C)(C1)CCC2 ZINC001278441737 1037280936 /nfs/dbraw/zinc/28/09/36/1037280936.db2.gz GNXGCNZGQJVUMV-VQTJNVASSA-N 1 0 387.634 3.958 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H](C)CCc1ccc(Br)cc1 ZINC001246310183 1037289819 /nfs/dbraw/zinc/28/98/19/1037289819.db2.gz FYXWIFHCUHJZQC-QAPCUYQASA-N 1 0 397.357 3.587 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246525774 1037458288 /nfs/dbraw/zinc/45/82/88/1037458288.db2.gz LHJHILNYPVMUMG-HXUWFJFHSA-N 1 0 389.584 3.942 20 30 GHEDRO C#CCOc1ccc(-c2nc3cc(F)ccc3n2CC2CC[NH2+]CC2)cc1OC ZINC001247031511 1037850949 /nfs/dbraw/zinc/85/09/49/1037850949.db2.gz DRHHKSYWPODDAX-UHFFFAOYSA-N 1 0 393.462 3.863 20 30 GHEDRO CSc1nc(-c2nc3cccc(F)c3n2CC2CC[NH2+]CC2)ccc1C#N ZINC001247036386 1037858846 /nfs/dbraw/zinc/85/88/46/1037858846.db2.gz FESOCFVLQYZHPP-UHFFFAOYSA-N 1 0 381.480 3.831 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc(C[C@H]([NH3+])Cc4cccnc4)n3)cc2)cc1 ZINC001247159722 1037954716 /nfs/dbraw/zinc/95/47/16/1037954716.db2.gz VNGWWYVYJHKBBT-LJQANCHMSA-N 1 0 397.438 3.908 20 30 GHEDRO N#Cc1ccc(-c2noc([C@@H](c3ccco3)N3CCC[NH2+]CC3)n2)c2ccccc12 ZINC001247337494 1038136333 /nfs/dbraw/zinc/13/63/33/1038136333.db2.gz TVCXBHRIOODFQL-OAQYLSRUSA-N 1 0 399.454 3.739 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(OCc3ccccc3)no1)C2 ZINC001232447131 1038228549 /nfs/dbraw/zinc/22/85/49/1038228549.db2.gz MSDIMKWGNAMCSF-GMAHTHKFSA-N 1 0 398.503 3.827 20 30 GHEDRO C#CC1CC[NH+](Cc2cc(-c3nc(C)c(C(=O)OCC)s3)ccc2O)CC1 ZINC001232453934 1038237982 /nfs/dbraw/zinc/23/79/82/1038237982.db2.gz OZBJJJSATYRNCY-UHFFFAOYSA-N 1 0 384.501 3.846 20 30 GHEDRO C=C[C@@H]1C[C@]1(N)c1nc(-c2cc(Br)ccc2Br)no1 ZINC001247621631 1038279062 /nfs/dbraw/zinc/27/90/62/1038279062.db2.gz SGGDXKSMTDKCBR-FUXBKTLASA-N 1 0 385.059 3.622 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(-c4ccc([C@H](N)C[NH3+])cc4)n3)cc2)cc1 ZINC001247699094 1038336915 /nfs/dbraw/zinc/33/69/15/1038336915.db2.gz IMMNAAIEZOXROF-OAQYLSRUSA-N 1 0 381.439 3.901 20 30 GHEDRO CNc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001232669977 1038467368 /nfs/dbraw/zinc/46/73/68/1038467368.db2.gz IZLVJBLCTBDORD-XMMPIXPASA-N 1 0 390.531 3.719 20 30 GHEDRO COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cc(C#N)ccc2[O-])CC3)c1 ZINC001232675583 1038473474 /nfs/dbraw/zinc/47/34/74/1038473474.db2.gz BMQMXSWLYVOWLL-UHFFFAOYSA-N 1 0 391.515 3.761 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccc5ncsc5c4)C3)CC2=O)c1 ZINC001232740885 1038528399 /nfs/dbraw/zinc/52/83/99/1038528399.db2.gz KMRUDVMWQFWGFN-QFIPXVFZSA-N 1 0 388.496 3.797 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(F)ccc3C#N)C[C@@H]2c2ccccc2)C1=O ZINC001232891580 1038681868 /nfs/dbraw/zinc/68/18/68/1038681868.db2.gz NYQXMQCWYILCEB-GGAORHGYSA-N 1 0 377.463 3.535 20 30 GHEDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(Br)c(C#N)c1)CC2 ZINC001232895296 1038686801 /nfs/dbraw/zinc/68/68/01/1038686801.db2.gz OBDHNYZMNKMRRK-QGZVFWFLSA-N 1 0 393.325 3.586 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cc(C)c(Br)cn1)C2 ZINC001232906139 1038702792 /nfs/dbraw/zinc/70/27/92/1038702792.db2.gz CKJWHJVASSYPQA-MOPGFXCFSA-N 1 0 395.341 3.726 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnc(OC)c3ccccc13)CC2 ZINC001232950237 1038727902 /nfs/dbraw/zinc/72/79/02/1038727902.db2.gz MHLZRYBSMVUOJV-HSZRJFAPSA-N 1 0 379.504 3.777 20 30 GHEDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)c(F)c1C#N ZINC001233102641 1038882516 /nfs/dbraw/zinc/88/25/16/1038882516.db2.gz HPUAYJOJYNUEBF-QHCPKHFHSA-N 1 0 393.462 3.605 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001252130006 1038883324 /nfs/dbraw/zinc/88/33/24/1038883324.db2.gz IOMQCBKRRKDTNC-INIZCTEOSA-N 1 0 388.478 3.729 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001252129287 1038883725 /nfs/dbraw/zinc/88/37/25/1038883725.db2.gz YQLITOMSBGTAKW-IPJJNNNSSA-N 1 0 394.531 3.944 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001252137201 1038887089 /nfs/dbraw/zinc/88/70/89/1038887089.db2.gz WHWWABGDTNBVRC-CNNODRBYSA-N 1 0 398.588 3.856 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccncc2)CC1 ZINC001252139795 1038889695 /nfs/dbraw/zinc/88/96/95/1038889695.db2.gz SOFGPSNKPHDDEM-ACRUOGEOSA-N 1 0 375.557 3.824 20 30 GHEDRO C=C(C)C[N@H+](CC)C[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C ZINC001252216567 1038906469 /nfs/dbraw/zinc/90/64/69/1038906469.db2.gz MGFHYLIPAOIETC-RBUKOAKNSA-N 1 0 398.494 3.660 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1nc(C)sc1Br)CC2 ZINC001233152598 1038928291 /nfs/dbraw/zinc/92/82/91/1038928291.db2.gz FRECKETVQIUKSY-KRWDZBQOSA-N 1 0 398.370 3.747 20 30 GHEDRO CC[N@H+](C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 ZINC001252313925 1038939630 /nfs/dbraw/zinc/93/96/30/1038939630.db2.gz SNUSGBSKMMHWFK-IBGZPJMESA-N 1 0 397.441 3.921 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252331667 1038944366 /nfs/dbraw/zinc/94/43/66/1038944366.db2.gz VSCOLYATJQIBHR-ZXYWRSMDSA-N 1 0 397.441 3.682 20 30 GHEDRO N#Cc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)n1 ZINC001462325751 1070172851 /nfs/dbraw/zinc/17/28/51/1070172851.db2.gz FSGSMKHDCKMJEV-BJKOFHAPSA-N 1 0 386.474 3.850 20 30 GHEDRO C=C[C@@](C)(O)C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252558462 1039031924 /nfs/dbraw/zinc/03/19/24/1039031924.db2.gz XDCYBLOYKZDXAW-WOIUINJBSA-N 1 0 389.540 3.657 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H](CC(=O)N(CC)CC)c3ccccc32)CC1 ZINC001252552166 1039032359 /nfs/dbraw/zinc/03/23/59/1039032359.db2.gz UOIARAZCIHCNPQ-WMZHIEFXSA-N 1 0 384.564 3.703 20 30 GHEDRO C=C[C@](C)(O)C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252558461 1039032426 /nfs/dbraw/zinc/03/24/26/1039032426.db2.gz XDCYBLOYKZDXAW-IPJJNNNSSA-N 1 0 389.540 3.657 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+][C@@H](CC)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC001252575479 1039036520 /nfs/dbraw/zinc/03/65/20/1039036520.db2.gz BYXQMRCJRDUWKN-HTAPYJJXSA-N 1 0 381.451 3.503 20 30 GHEDRO C=CCC[C@H](O)CNc1ccc(C(=O)OCC[NH+](CC)CC)c(OCCC)c1 ZINC001252612535 1039049503 /nfs/dbraw/zinc/04/95/03/1039049503.db2.gz POYPCWBFZGMEPD-IBGZPJMESA-N 1 0 392.540 3.713 20 30 GHEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC(=O)OC)c1ccc(OCc2ccccc2)cc1 ZINC001252617300 1039051140 /nfs/dbraw/zinc/05/11/40/1039051140.db2.gz CBBYDAFLRRXNED-UNMCSNQZSA-N 1 0 383.488 3.787 20 30 GHEDRO C=CCC[C@H](O)C[NH2+]C1(c2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252622321 1039052630 /nfs/dbraw/zinc/05/26/30/1039052630.db2.gz RUSJZLMYFSURCD-KRWDZBQOSA-N 1 0 392.515 3.969 20 30 GHEDRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)c2cc1C ZINC001252678505 1039076734 /nfs/dbraw/zinc/07/67/34/1039076734.db2.gz KYMAZPFBDMZWKZ-XPNTWCBSSA-N 1 0 388.515 3.786 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)c4[nH]c(=O)ccc34)C2)c1 ZINC001233294919 1039082753 /nfs/dbraw/zinc/08/27/53/1039082753.db2.gz FZOHNZSMBZOVAZ-GOSISDBHSA-N 1 0 375.428 3.561 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(Cl)ncnc1Cl)CC2 ZINC001233406986 1039254215 /nfs/dbraw/zinc/25/42/15/1039254215.db2.gz MTLZUYJMPNPGKM-UHFFFAOYSA-N 1 0 399.322 3.784 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001253234371 1039487618 /nfs/dbraw/zinc/48/76/18/1039487618.db2.gz AEJLSAJRPZRPRD-VWNXMTODSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001253237732 1039492682 /nfs/dbraw/zinc/49/26/82/1039492682.db2.gz MJHYSDPHRXVIDA-UNMCSNQZSA-N 1 0 375.557 3.629 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001253239096 1039496439 /nfs/dbraw/zinc/49/64/39/1039496439.db2.gz KCHSJOMGELCYOU-MRXNPFEDSA-N 1 0 386.462 3.505 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC001253243770 1039500208 /nfs/dbraw/zinc/50/02/08/1039500208.db2.gz ZHHBRVXUIFKLIT-IBGZPJMESA-N 1 0 376.516 3.907 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001253247827 1039502017 /nfs/dbraw/zinc/50/20/17/1039502017.db2.gz MMABRWPIMGVBIX-OAQYLSRUSA-N 1 0 376.516 3.907 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2OC)CC1 ZINC001253256429 1039505445 /nfs/dbraw/zinc/50/54/45/1039505445.db2.gz XRJVDWWQZXRTOA-HXUWFJFHSA-N 1 0 388.552 3.777 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](Cc1cccc(OC(F)(F)F)c1O)CCC2 ZINC001233736415 1039578456 /nfs/dbraw/zinc/57/84/56/1039578456.db2.gz KLZCJSVVBOSQNL-UHFFFAOYSA-N 1 0 397.397 3.596 20 30 GHEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253424328 1039620716 /nfs/dbraw/zinc/62/07/16/1039620716.db2.gz CKPRWLMYMPKPLX-NRFANRHFSA-N 1 0 380.488 3.505 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2c1cccc2C ZINC001253602175 1039716985 /nfs/dbraw/zinc/71/69/85/1039716985.db2.gz DIZDDQAKMKDTMG-HKUYNNGSSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@H](O)C[NH2+]CC1(Cc2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253605967 1039718633 /nfs/dbraw/zinc/71/86/33/1039718633.db2.gz BPKUWANPALUHCG-IBGZPJMESA-N 1 0 392.515 3.522 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1sc(Br)cc1C ZINC001277848572 1039976216 /nfs/dbraw/zinc/97/62/16/1039976216.db2.gz GHCWJXFPZFOWHQ-ZIAGYGMSSA-N 1 0 383.355 3.960 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@@H]4C[C@@]5(CCC[NH2+]5)CO4)nn3)cc2)cc1 ZINC001254063619 1039980516 /nfs/dbraw/zinc/98/05/16/1039980516.db2.gz FUMGVCAAOLIXGA-UPVQGACJSA-N 1 0 384.483 3.505 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@H]2C[C@]3(CCC[NH2+]3)CO2)cc1 ZINC001254064392 1039980592 /nfs/dbraw/zinc/98/05/92/1039980592.db2.gz MTNWHYYUICPWRZ-ZJSXRUAMSA-N 1 0 384.483 3.505 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(O)ccc3ccc(OC)cc31)C2 ZINC001234546061 1040116947 /nfs/dbraw/zinc/11/69/47/1040116947.db2.gz XZCDUMFQAKVDKS-WMZHIEFXSA-N 1 0 383.488 3.880 20 30 GHEDRO COc1ccc(OC[C@H](O)C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)cc1 ZINC001254346963 1040180098 /nfs/dbraw/zinc/18/00/98/1040180098.db2.gz VSCPPCIKXPDZDB-LRZVDXDASA-N 1 0 398.478 3.568 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001254350926 1040182849 /nfs/dbraw/zinc/18/28/49/1040182849.db2.gz BZRBXICDCJGHFQ-UHFFFAOYSA-N 1 0 397.416 3.673 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(NC(=[NH2+])c2cnc3ccc(F)cn32)CC1 ZINC001254351912 1040184982 /nfs/dbraw/zinc/18/49/82/1040184982.db2.gz ZZEZXSMJEICAHS-UHFFFAOYSA-N 1 0 379.414 3.932 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254645964 1040416048 /nfs/dbraw/zinc/41/60/48/1040416048.db2.gz ILTHQLUDNIHQEG-MJGOQNOKSA-N 1 0 384.524 3.526 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)(Cc2cccnc2)CC1 ZINC001254648534 1040417876 /nfs/dbraw/zinc/41/78/76/1040417876.db2.gz MHORCNVRKJHFHK-UYAOXDASSA-N 1 0 398.551 3.923 20 30 GHEDRO CN(C)C(=O)CO[C@@H]1CCC2(CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)c2ccccc21 ZINC001254657657 1040422858 /nfs/dbraw/zinc/42/28/58/1040422858.db2.gz DUTOBYAZHMMIDA-XQBPLPMBSA-N 1 0 395.547 3.652 20 30 GHEDRO COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254659274 1040423354 /nfs/dbraw/zinc/42/33/54/1040423354.db2.gz NAIYVXOMTFXCSX-RHSMWYFYSA-N 1 0 381.501 3.690 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)C1 ZINC001254664019 1040426825 /nfs/dbraw/zinc/42/68/25/1040426825.db2.gz SXFKQZGTCIJCHC-GGPKGHCWSA-N 1 0 393.531 3.748 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001234978637 1040481102 /nfs/dbraw/zinc/48/11/02/1040481102.db2.gz ISAUZRLAYWZREZ-CALCHBBNSA-N 1 0 398.304 3.764 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([N@@H+]3CCC[C@H](CC#N)C3)CC2)C1 ZINC001254726052 1040482959 /nfs/dbraw/zinc/48/29/59/1040482959.db2.gz MLXFHRZTIFBIRR-MPQSDHOMSA-N 1 0 377.529 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+]CCCOc1cccc(C#N)c1)C2 ZINC001254765192 1040524982 /nfs/dbraw/zinc/52/49/82/1040524982.db2.gz QQYFUNMJQMYPGM-SFHVURJKSA-N 1 0 385.508 3.706 20 30 GHEDRO FC(F)(F)[C@]12C[NH2+]C[C@H]1CN(Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001235231118 1040711674 /nfs/dbraw/zinc/71/16/74/1040711674.db2.gz OAOZZNLTVOIAHC-LPHOPBHVSA-N 1 0 376.447 3.732 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150440 1040868154 /nfs/dbraw/zinc/86/81/54/1040868154.db2.gz UXRFCGLJAWXHCE-FNAHDJPLSA-N 1 0 383.536 3.559 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001255213703 1040909194 /nfs/dbraw/zinc/90/91/94/1040909194.db2.gz HUSUHMRALZDFPK-XODKDNOYSA-N 1 0 383.492 3.553 20 30 GHEDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001255355142 1040959646 /nfs/dbraw/zinc/95/96/46/1040959646.db2.gz YUAMQKMZFFOBIY-VMRPVKRXSA-N 1 0 395.503 3.816 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cccn1C(=O)OC(C)(C)C)C2 ZINC001235624410 1041049151 /nfs/dbraw/zinc/04/91/51/1041049151.db2.gz BFONYMPLEHFWJS-SIKLNZKXSA-N 1 0 390.524 3.845 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)C2 ZINC001235669039 1041124399 /nfs/dbraw/zinc/12/43/99/1041124399.db2.gz UZIGPTDHZDRPBI-LJQANCHMSA-N 1 0 398.425 3.824 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)C2 ZINC001235669038 1041125860 /nfs/dbraw/zinc/12/58/60/1041125860.db2.gz UZIGPTDHZDRPBI-IBGZPJMESA-N 1 0 398.425 3.824 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cnc(Br)c(C)c1)C2 ZINC001235824212 1041342522 /nfs/dbraw/zinc/34/25/22/1041342522.db2.gz QOTSSZOEKDKFPK-HKUYNNGSSA-N 1 0 395.341 3.726 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001255932529 1041422168 /nfs/dbraw/zinc/42/21/68/1041422168.db2.gz VPJZNGUUDZPSFB-UHFFFAOYSA-N 1 0 391.515 3.598 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)Cc4ccsc4)C3)C2)s1 ZINC001278924361 1041679681 /nfs/dbraw/zinc/67/96/81/1041679681.db2.gz YNEGPERMCLEFRR-HXUWFJFHSA-N 1 0 385.558 3.738 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)cc2)cn1 ZINC001256370612 1041712489 /nfs/dbraw/zinc/71/24/89/1041712489.db2.gz ROXVALRETMDGGT-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)Cc3ccccn3)C[C@@H]2c2ccccc2)C1=O ZINC001256414270 1041723338 /nfs/dbraw/zinc/72/33/38/1041723338.db2.gz LCKVHGFCXIJNOM-CKUXNOBLSA-N 1 0 375.516 3.517 20 30 GHEDRO C#CCOc1ccc(CN(Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc1OC ZINC001236481551 1041734539 /nfs/dbraw/zinc/73/45/39/1041734539.db2.gz WXMDVJQKNBARMU-UHFFFAOYSA-N 1 0 396.506 3.909 20 30 GHEDRO COc1cc(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)ccc1C#N ZINC001236499380 1041741250 /nfs/dbraw/zinc/74/12/50/1041741250.db2.gz NTPDYNPJVNZESZ-UHFFFAOYSA-N 1 0 389.421 3.738 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(O)cc(OC)cc1Cl)[C@@H]2CC ZINC001236796328 1041900830 /nfs/dbraw/zinc/90/08/30/1041900830.db2.gz TWGSNSJUQYLVOO-CTNGQTDRSA-N 1 0 392.927 3.976 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3Cl)C2)C1=O ZINC001278020878 1041935661 /nfs/dbraw/zinc/93/56/61/1041935661.db2.gz NCPJVMCXGONRGZ-KRWDZBQOSA-N 1 0 388.817 3.849 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cccc(-n4cncn4)c3)CC2)cc1Cl ZINC001236893923 1041943280 /nfs/dbraw/zinc/94/32/80/1041943280.db2.gz XYBVKCWBIOIREH-UHFFFAOYSA-N 1 0 393.878 3.836 20 30 GHEDRO CN1CCN(c2cc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)ccc2F)CC1 ZINC001236959842 1041969745 /nfs/dbraw/zinc/96/97/45/1041969745.db2.gz NFEAWMTXYAHCIY-UHFFFAOYSA-N 1 0 392.522 3.635 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(F)c(N3CCCC3)c1)CC2 ZINC001237086448 1042028588 /nfs/dbraw/zinc/02/85/88/1042028588.db2.gz FFPXSSSKAUJZGS-HSZRJFAPSA-N 1 0 385.527 3.959 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccnc4c(OC)cccc34)C2)C1 ZINC001237113263 1042045776 /nfs/dbraw/zinc/04/57/76/1042045776.db2.gz IINPNRNRDGOUDM-HSZRJFAPSA-N 1 0 395.503 3.854 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c2cc(C#N)ccc21 ZINC001237466058 1042219868 /nfs/dbraw/zinc/21/98/68/1042219868.db2.gz IVUKINJOCMRZCA-UEVCKROQSA-N 1 0 379.504 3.598 20 30 GHEDRO Cn1cc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c2cc(C#N)ccc21 ZINC001237472107 1042222559 /nfs/dbraw/zinc/22/25/59/1042222559.db2.gz FBQCISVMHNXLPX-UHFFFAOYSA-N 1 0 387.487 3.836 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c2cc(C#N)ccc21 ZINC001237473287 1042223998 /nfs/dbraw/zinc/22/39/98/1042223998.db2.gz VWCDXITUEZJISY-UHFFFAOYSA-N 1 0 381.867 3.537 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC001237748505 1042352434 /nfs/dbraw/zinc/35/24/34/1042352434.db2.gz JAWINXNUTBLDPD-HXUWFJFHSA-N 1 0 383.879 3.809 20 30 GHEDRO CC[C@H]1[N@H+](Cc2cc(Cl)cc(C#N)c2)CCC[C@]12CCC(=O)N2CCOC ZINC001237750375 1042352696 /nfs/dbraw/zinc/35/26/96/1042352696.db2.gz JNTTWMYAKNBLPP-CTNGQTDRSA-N 1 0 389.927 3.594 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001237751210 1042353334 /nfs/dbraw/zinc/35/33/34/1042353334.db2.gz SMEMYQWRXOGVPP-CTNGQTDRSA-N 1 0 385.870 3.688 20 30 GHEDRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cc(Cl)cc(C#N)c4)C[C@@H]3C2=O)c1 ZINC001237751760 1042353978 /nfs/dbraw/zinc/35/39/78/1042353978.db2.gz ZXWRWENETVWCMV-FPOVZHCZSA-N 1 0 379.891 3.611 20 30 GHEDRO CCOC(=O)COc1cccc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1 ZINC001237918024 1042421830 /nfs/dbraw/zinc/42/18/30/1042421830.db2.gz FRSBTYIHIHLNRB-QFIPXVFZSA-N 1 0 394.471 3.544 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cnc(C(F)(F)F)s3)C2)C1 ZINC001237947254 1042434542 /nfs/dbraw/zinc/43/45/42/1042434542.db2.gz MYVRUEUETKKCIS-MRXNPFEDSA-N 1 0 389.443 3.772 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(N3CCCCC3)n1)CC2 ZINC001238001838 1042453075 /nfs/dbraw/zinc/45/30/75/1042453075.db2.gz QFMXCNYKLKMQAJ-QHCPKHFHSA-N 1 0 382.552 3.605 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c(Cl)c1 ZINC001238082215 1042485444 /nfs/dbraw/zinc/48/54/44/1042485444.db2.gz IKEZEXLAMWKNBR-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c(Cl)c1 ZINC001238084887 1042486633 /nfs/dbraw/zinc/48/66/33/1042486633.db2.gz WMMZPHSDAJJFTH-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ncc(C)c(OC)c1C)CC2 ZINC001238171904 1042508252 /nfs/dbraw/zinc/50/82/52/1042508252.db2.gz DYFZPCADSCROQK-UHFFFAOYSA-N 1 0 387.524 3.708 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001238348308 1042564525 /nfs/dbraw/zinc/56/45/25/1042564525.db2.gz RCXWRWUFVAEURY-PMACEKPBSA-N 1 0 388.618 3.738 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001238348311 1042564584 /nfs/dbraw/zinc/56/45/84/1042564584.db2.gz RCXWRWUFVAEURY-VQTJNVASSA-N 1 0 388.618 3.738 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3cc(C(F)(F)F)cc(Cl)c32)CC1 ZINC001462629575 1070427699 /nfs/dbraw/zinc/42/76/99/1070427699.db2.gz OYABXCXRSUDNAD-UHFFFAOYSA-N 1 0 384.829 3.983 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+](Cc3cncc(OCc4ccccc4)c3)C2)C1=O ZINC001238365309 1042571011 /nfs/dbraw/zinc/57/10/11/1042571011.db2.gz JIMPAIPNXORZHF-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)ccc1C#N ZINC001238406456 1042586143 /nfs/dbraw/zinc/58/61/43/1042586143.db2.gz FTEMVYJRAVIGSM-VSOVRNOCSA-N 1 0 393.462 3.803 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)ccc1C#N ZINC001238406350 1042586196 /nfs/dbraw/zinc/58/61/96/1042586196.db2.gz BGQCMKSNXLGDNF-OAQYLSRUSA-N 1 0 389.499 3.547 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)cc(N3CCCC3)c1)C2 ZINC001238703086 1042692307 /nfs/dbraw/zinc/69/23/07/1042692307.db2.gz XZOQEDWZYDXYED-XZOQPEGZSA-N 1 0 388.527 4.000 20 30 GHEDRO C=CCCCC[NH+]1CCC2(CCCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001278269445 1042693784 /nfs/dbraw/zinc/69/37/84/1042693784.db2.gz HRWLSXWDKXENQS-UHFFFAOYSA-N 1 0 378.948 3.597 20 30 GHEDRO COc1cc(C)c(C)cc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001238765558 1042720263 /nfs/dbraw/zinc/72/02/63/1042720263.db2.gz DZHHHFMJLSLTOB-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CC[NH2+]CC2)cc1 ZINC001239382993 1042817854 /nfs/dbraw/zinc/81/78/54/1042817854.db2.gz YCFUTCLRIMGYOE-UHFFFAOYSA-N 1 0 384.936 3.819 20 30 GHEDRO C=CCCCNC(=S)NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001239391763 1042820903 /nfs/dbraw/zinc/82/09/03/1042820903.db2.gz JCTPUWZERKHQKS-UHFFFAOYSA-N 1 0 385.499 3.800 20 30 GHEDRO CCCC1(C[NH2+]CC2(C#N)CCOCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462654078 1070445673 /nfs/dbraw/zinc/44/56/73/1070445673.db2.gz MQAADAOVFXXFNF-UHFFFAOYSA-N 1 0 379.545 3.714 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001239437467 1042829665 /nfs/dbraw/zinc/82/96/65/1042829665.db2.gz YTNOXWQHAUFZDU-ROUUACIJSA-N 1 0 385.618 3.604 20 30 GHEDRO CCCCCCCCCCNC(=S)N1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001239437762 1042829877 /nfs/dbraw/zinc/82/98/77/1042829877.db2.gz JRSNYFWYKMDZKA-UHFFFAOYSA-N 1 0 382.662 3.761 20 30 GHEDRO N#Cc1ccc(NC(=S)N2Cc3ccccc3C[C@H]2C[NH3+])cc1C(F)(F)F ZINC001239462224 1042833117 /nfs/dbraw/zinc/83/31/17/1042833117.db2.gz CZSVKGHNGKXLEW-INIZCTEOSA-N 1 0 390.434 3.659 20 30 GHEDRO N#CC1(c2cccnc2-c2ccccc2C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001239758986 1042849445 /nfs/dbraw/zinc/84/94/45/1042849445.db2.gz AYUWZTJYMKPXQN-UHFFFAOYSA-N 1 0 396.494 3.905 20 30 GHEDRO Cn1cc(-c2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC001240329287 1042921651 /nfs/dbraw/zinc/92/16/51/1042921651.db2.gz YNDTYFKIVHRZFY-UHFFFAOYSA-N 1 0 384.483 3.505 20 30 GHEDRO Cc1cc(-c2nc3ccccc3n2C)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)nn1 ZINC001240346462 1042922432 /nfs/dbraw/zinc/92/24/32/1042922432.db2.gz MZENJSGYCKHYNE-UHFFFAOYSA-N 1 0 380.455 3.564 20 30 GHEDRO N#Cc1c(F)cc(OC2CCC2)cc1-c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001240818355 1042956646 /nfs/dbraw/zinc/95/66/46/1042956646.db2.gz PPYMIMQUUPZZBC-UHFFFAOYSA-N 1 0 391.446 3.869 20 30 GHEDRO C[C@H]1CCC[C@@](Cn2c(CC3CC3)nnc2N2CCC(C)(C#N)CC2)([NH+](C)C)C1 ZINC001291067590 1043062639 /nfs/dbraw/zinc/06/26/39/1043062639.db2.gz CEWSQEKIDIZNTB-FDDCHVKYSA-N 1 0 398.599 3.871 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)[C@H]1C ZINC001291154371 1043113719 /nfs/dbraw/zinc/11/37/19/1043113719.db2.gz YAGFEFBYXPCJST-SJORKVTESA-N 1 0 380.540 3.639 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001291441161 1043257818 /nfs/dbraw/zinc/25/78/18/1043257818.db2.gz FYGFLNFFOCJLPU-FXAWDEMLSA-N 1 0 392.551 3.784 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256521611 1043445215 /nfs/dbraw/zinc/44/52/15/1043445215.db2.gz ARGOIONPGFWCST-PMOQBDJRSA-N 1 0 391.559 3.534 20 30 GHEDRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001291967147 1043550347 /nfs/dbraw/zinc/55/03/47/1043550347.db2.gz HBYWUTJZXXIRHV-IBGZPJMESA-N 1 0 388.604 3.973 20 30 GHEDRO COc1cccc2c1CC[C@@H]([NH2+]C1CCN(Cc3ccccc3C#N)CC1)C2 ZINC001256640182 1043586857 /nfs/dbraw/zinc/58/68/57/1043586857.db2.gz FGQLDDGAHAENPE-JOCHJYFZSA-N 1 0 375.516 3.678 20 30 GHEDRO COc1cccc2c1CC[C@@H]([NH+]1CCC(Oc3ccc(C#N)cc3OC)CC1)C2 ZINC001256653554 1043599068 /nfs/dbraw/zinc/59/90/68/1043599068.db2.gz DFXFQPOLMOJFPM-LJQANCHMSA-N 1 0 392.499 3.976 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256793588 1043655230 /nfs/dbraw/zinc/65/52/30/1043655230.db2.gz CHOOPZDVGAZOSO-GGAORHGYSA-N 1 0 389.499 3.673 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256910988 1043737149 /nfs/dbraw/zinc/73/71/49/1043737149.db2.gz GZCUHTXTMQZHPW-NRFANRHFSA-N 1 0 389.584 3.894 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)OCC[C@H]2CC[NH2+]C1CCC(C#N)CC1 ZINC001256951009 1043769937 /nfs/dbraw/zinc/76/99/37/1043769937.db2.gz VOLCOMHUENHCLM-JLAWEPINSA-N 1 0 391.556 3.855 20 30 GHEDRO C[NH+]1CCC(C#N)(N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)CC1 ZINC001256960473 1043774614 /nfs/dbraw/zinc/77/46/14/1043774614.db2.gz OYHFHXYDRZYBFC-PMACEKPBSA-N 1 0 398.551 3.705 20 30 GHEDRO N#CC1CCC([N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001256968406 1043777247 /nfs/dbraw/zinc/77/72/47/1043777247.db2.gz SXTGXRZEIXYKEJ-RJYAGPCLSA-N 1 0 378.442 3.841 20 30 GHEDRO COC(=O)CC1CCC([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)CC1 ZINC001256988527 1043788158 /nfs/dbraw/zinc/78/81/58/1043788158.db2.gz CBZGAQSHZCGOJC-UHFFFAOYSA-N 1 0 386.492 3.532 20 30 GHEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCC(C(=O)OCC)(C(=O)OCC)CC1 ZINC001257005391 1043795812 /nfs/dbraw/zinc/79/58/12/1043795812.db2.gz NCJUGBMHMFSPPF-OAQYLSRUSA-N 1 0 397.515 3.664 20 30 GHEDRO COc1ccnc(O[C@@H]2CC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)n1 ZINC001257022568 1043807406 /nfs/dbraw/zinc/80/74/06/1043807406.db2.gz NORKKPRAOWQCDE-SOAGJPPSSA-N 1 0 378.476 3.536 20 30 GHEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H](NC(=O)c4ccccn4)C3)CC2)cc1 ZINC001257022969 1043807549 /nfs/dbraw/zinc/80/75/49/1043807549.db2.gz SGVXPZQGILMWNV-ATKRNPRHSA-N 1 0 388.515 3.874 20 30 GHEDRO CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257130661 1043877891 /nfs/dbraw/zinc/87/78/91/1043877891.db2.gz VYQHRLLZLHPUPE-UXHICEINSA-N 1 0 398.551 3.858 20 30 GHEDRO CC(C)[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(Cl)cn2)CCN1C(=O)OC(C)(C)C ZINC001257171633 1043915674 /nfs/dbraw/zinc/91/56/74/1043915674.db2.gz JVLOJWTWGSTFNX-HOCLYGCPSA-N 1 0 380.920 3.864 20 30 GHEDRO C#CCCN1CCC[C@H]([NH2+][C@H](C)CCc2ccc3cc(OC)ccc3c2)C1=O ZINC001257279478 1043954280 /nfs/dbraw/zinc/95/42/80/1043954280.db2.gz NLLHMXHEIPYZRF-JPYJTQIMSA-N 1 0 378.516 3.773 20 30 GHEDRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](CC)C1CC1 ZINC001293302451 1044099924 /nfs/dbraw/zinc/09/99/24/1044099924.db2.gz JCBOAEBRFWTDSV-FXAWDEMLSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CCC([NH2+]CCOc1ccc(C#N)cc1)CC2 ZINC001257754698 1044144042 /nfs/dbraw/zinc/14/40/42/1044144042.db2.gz WDIAFPWGJANTTL-UHFFFAOYSA-N 1 0 385.508 3.706 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001293423603 1044169098 /nfs/dbraw/zinc/16/90/98/1044169098.db2.gz DGXJALCGAJPOEF-UXHICEINSA-N 1 0 378.524 3.680 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001293464014 1044194373 /nfs/dbraw/zinc/19/43/73/1044194373.db2.gz XVQCLZRAVSYCJU-RBUKOAKNSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001293467435 1044197129 /nfs/dbraw/zinc/19/71/29/1044197129.db2.gz RXCWCDBCGDTKAP-NQIIRXRSSA-N 1 0 392.551 3.927 20 30 GHEDRO COC(=O)C1CCC([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC001257866307 1044229032 /nfs/dbraw/zinc/22/90/32/1044229032.db2.gz LJQHFIQCEVGCMC-UHFFFAOYSA-N 1 0 376.884 3.787 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@@H](CC(N)=O)C(=O)Nc3ccc4ccccc4c3)C[C@H](C1)C2 ZINC001257890335 1044245794 /nfs/dbraw/zinc/24/57/94/1044245794.db2.gz VENXJDVYOFMSMH-WIJYIEBRSA-N 1 0 391.515 3.747 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3Cc4c(cnn4C)[C@H](COc4cccnc4)C3)C[C@H](C1)C2 ZINC001257890922 1044245938 /nfs/dbraw/zinc/24/59/38/1044245938.db2.gz CBZNJPZFQVUYAK-COHPWVSRSA-N 1 0 378.520 3.928 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3Cc4cn(CC5CCOCC5)nc4[C@H](COC)C3)C[C@H](C1)C2 ZINC001257892424 1044247283 /nfs/dbraw/zinc/24/72/83/1044247283.db2.gz YSYNWSCBCJPFGM-IHASJPSXSA-N 1 0 399.579 3.990 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3CCc4cnn(CC5CCOCC5)c4[C@@H]3COC)C[C@H](C1)C2 ZINC001257892500 1044247630 /nfs/dbraw/zinc/24/76/30/1044247630.db2.gz ZSLNJCZATRYTEF-OBRLUQMESA-N 1 0 399.579 3.990 20 30 GHEDRO CCCCCCCCCCC[C@@H](C)[NH2+]CCOCCOCCOCCO ZINC001258052276 1044372577 /nfs/dbraw/zinc/37/25/77/1044372577.db2.gz NUXDHWAPUYNSTP-OAQYLSRUSA-N 1 0 375.594 3.928 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001294217739 1044529628 /nfs/dbraw/zinc/52/96/28/1044529628.db2.gz LDDHYRMBSGSCKJ-TZIWHRDSSA-N 1 0 392.551 3.927 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001294219412 1044531141 /nfs/dbraw/zinc/53/11/41/1044531141.db2.gz YKCFPJBOQVKDJR-WOJBJXKFSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258524886 1044602599 /nfs/dbraw/zinc/60/25/99/1044602599.db2.gz ZHBAAZWUBDKJTO-IRLDBZIGSA-N 1 0 393.568 3.772 20 30 GHEDRO C=CCC[C@@H](C)[NH2+][C@H](CC(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258719459 1044732520 /nfs/dbraw/zinc/73/25/20/1044732520.db2.gz DMZCQUOPSLHCGL-SJLPKXTDSA-N 1 0 382.545 3.900 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)CC#N ZINC001294754712 1044785089 /nfs/dbraw/zinc/78/50/89/1044785089.db2.gz HOCQJFDUKKXKPY-XLIONFOSSA-N 1 0 398.530 3.621 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)CC1 ZINC001295553828 1045050792 /nfs/dbraw/zinc/05/07/92/1045050792.db2.gz LLZAHULXQVKHFQ-GOSISDBHSA-N 1 0 380.540 3.783 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](C#N)CCc3ccccc3)cc2)CC1 ZINC001295769063 1045132273 /nfs/dbraw/zinc/13/22/73/1045132273.db2.gz OCGJVDJOBLKAHT-FQEVSTJZSA-N 1 0 390.531 3.928 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1C(C)C)C1CC1 ZINC001295827012 1045155821 /nfs/dbraw/zinc/15/58/21/1045155821.db2.gz JALONKNJRYCIKK-NRFANRHFSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[NH+]1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296022244 1045223021 /nfs/dbraw/zinc/22/30/21/1045223021.db2.gz VCBGFMFMRUFTTB-GOSISDBHSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001298586178 1045881985 /nfs/dbraw/zinc/88/19/85/1045881985.db2.gz SKGUGLMATRYAAJ-LEWJYISDSA-N 1 0 380.532 3.815 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300799613 1046167983 /nfs/dbraw/zinc/16/79/83/1046167983.db2.gz BMMGVRUMKBOVLN-WZONZLPQSA-N 1 0 395.526 3.808 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001300806451 1046176071 /nfs/dbraw/zinc/17/60/71/1046176071.db2.gz VSHCPWPRMOJTGX-HSZRJFAPSA-N 1 0 379.552 3.723 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC[N@@H+](C)[C@H](C)CC ZINC001300809380 1046179110 /nfs/dbraw/zinc/17/91/10/1046179110.db2.gz ZPNCCWJRPUUNMN-WZONZLPQSA-N 1 0 397.542 3.730 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001300922025 1046244720 /nfs/dbraw/zinc/24/47/20/1046244720.db2.gz VAZRPXXWJOQDIC-IRXDYDNUSA-N 1 0 399.963 3.546 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001300951931 1046256784 /nfs/dbraw/zinc/25/67/84/1046256784.db2.gz AXANBABIMSXSEB-UHFFFAOYSA-N 1 0 381.568 3.808 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001300982413 1046273969 /nfs/dbraw/zinc/27/39/69/1046273969.db2.gz HUHSXSCCDZOOSI-VQTJNVASSA-N 1 0 397.567 3.765 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001301072395 1046320137 /nfs/dbraw/zinc/32/01/37/1046320137.db2.gz HIZYYGHKBHCFQT-NRFANRHFSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCC(C)(C)Cn1c(CC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001301154663 1046376554 /nfs/dbraw/zinc/37/65/54/1046376554.db2.gz YPUGBUNBGTYJPI-UHFFFAOYSA-N 1 0 387.597 3.869 20 30 GHEDRO C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001301198223 1046399204 /nfs/dbraw/zinc/39/92/04/1046399204.db2.gz ZZXIMYRYYAVRSM-LJQANCHMSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCCCn1c(COCC)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001301234787 1046421481 /nfs/dbraw/zinc/42/14/81/1046421481.db2.gz QQDZSPLGOMDBTE-FQEVSTJZSA-N 1 0 389.588 3.729 20 30 GHEDRO C=CCn1c(-c2c3c[nH]nc3ccc2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001262941834 1046439579 /nfs/dbraw/zinc/43/95/79/1046439579.db2.gz WBZROUULRPAYET-UHFFFAOYSA-N 1 0 393.539 3.626 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001262944165 1046440731 /nfs/dbraw/zinc/44/07/31/1046440731.db2.gz JIPHUMGSBVNNDF-WOJBJXKFSA-N 1 0 392.551 3.972 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001301278164 1046448411 /nfs/dbraw/zinc/44/84/11/1046448411.db2.gz GQGVPHALRNAGLQ-KRWDZBQOSA-N 1 0 398.511 3.598 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001262964617 1046454405 /nfs/dbraw/zinc/45/44/05/1046454405.db2.gz ZDCGSFGXXWXFIJ-ZDUSSCGKSA-N 1 0 392.960 3.552 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001301289852 1046457789 /nfs/dbraw/zinc/45/77/89/1046457789.db2.gz SEAIMRHNTBSEKW-ROUUACIJSA-N 1 0 382.556 3.639 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001301293275 1046459508 /nfs/dbraw/zinc/45/95/08/1046459508.db2.gz AIQTYMWPFNDLAF-OAQYLSRUSA-N 1 0 397.567 3.683 20 30 GHEDRO C=CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C)C1CC1 ZINC001301313771 1046476450 /nfs/dbraw/zinc/47/64/50/1046476450.db2.gz HHWSVBIAFVUHJS-UHFFFAOYSA-N 1 0 397.567 3.719 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1C[C@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC001301329374 1046491745 /nfs/dbraw/zinc/49/17/45/1046491745.db2.gz FKMHWJNPHIYZDN-HXUWFJFHSA-N 1 0 394.567 3.539 20 30 GHEDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1Br ZINC001301480950 1046560199 /nfs/dbraw/zinc/56/01/99/1046560199.db2.gz MKAUYRFQTSEXOL-BBRMVZONSA-N 1 0 378.314 3.513 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC[C@@H]1CC ZINC001263278493 1046671046 /nfs/dbraw/zinc/67/10/46/1046671046.db2.gz KWVMPRZDXPSAIH-ICSRJNTNSA-N 1 0 387.572 3.939 20 30 GHEDRO C=C(C)Cn1c(-c2cscn2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001263299457 1046696527 /nfs/dbraw/zinc/69/65/27/1046696527.db2.gz GUEMYOSYKGXUTL-UHFFFAOYSA-N 1 0 386.569 3.823 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001263346833 1046729890 /nfs/dbraw/zinc/72/98/90/1046729890.db2.gz YBPQVUXOXPPCAQ-INIZCTEOSA-N 1 0 393.626 3.788 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001301959183 1046762023 /nfs/dbraw/zinc/76/20/23/1046762023.db2.gz KSIGSLLZPFPATO-SFHVURJKSA-N 1 0 398.530 3.802 20 30 GHEDRO C=CC(C)(C)Cc1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@H]1CCCO1 ZINC001263430135 1046817846 /nfs/dbraw/zinc/81/78/46/1046817846.db2.gz JWDVVTYVMLLWCJ-LJQANCHMSA-N 1 0 389.588 3.522 20 30 GHEDRO CN(CC[NH+]1CCCCC1)c1nnc(CCCCC#N)n1Cc1cccs1 ZINC001263490708 1046894212 /nfs/dbraw/zinc/89/42/12/1046894212.db2.gz YHAWLZKDSOELEU-UHFFFAOYSA-N 1 0 386.569 3.546 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)CCC#N)n2Cc2cccs2)CC1 ZINC001263498598 1046909009 /nfs/dbraw/zinc/90/90/09/1046909009.db2.gz JOLMXTTUMDTSOQ-QGZVFWFLSA-N 1 0 386.569 3.716 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(C(C)(C)C#N)n2CC2CC2)C1 ZINC001263742244 1047083799 /nfs/dbraw/zinc/08/37/99/1047083799.db2.gz MRAOQWVHWOIYOB-HKUYNNGSSA-N 1 0 384.572 3.580 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(c2nnc(C3(C#N)CCCC3)n2CC2CC2)CC1 ZINC001263743878 1047086400 /nfs/dbraw/zinc/08/64/00/1047086400.db2.gz NGTBJDQECLZLQV-UHFFFAOYSA-N 1 0 396.583 3.868 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302839895 1047133335 /nfs/dbraw/zinc/13/33/35/1047133335.db2.gz JSPDBKSUUNVWGM-IBGZPJMESA-N 1 0 396.583 3.961 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CC[NH+]1CCCCCC1 ZINC001303638657 1047462090 /nfs/dbraw/zinc/46/20/90/1047462090.db2.gz BPJTXWSFHVNRSA-SFHVURJKSA-N 1 0 398.530 3.622 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001264828056 1047468975 /nfs/dbraw/zinc/46/89/75/1047468975.db2.gz ZGPQCKRBTQROTB-UHFFFAOYSA-N 1 0 390.325 3.659 20 30 GHEDRO COc1cccc(C[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC001264988291 1047534939 /nfs/dbraw/zinc/53/49/39/1047534939.db2.gz HIAIYSKVXFTENW-LJQANCHMSA-N 1 0 393.531 3.726 20 30 GHEDRO C=CCCCCCC[N@H+]1CCCC2(CN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001279269365 1047752747 /nfs/dbraw/zinc/75/27/47/1047752747.db2.gz AULCFQHJXYVDOI-UHFFFAOYSA-N 1 0 378.948 3.597 20 30 GHEDRO C=CCCCCCCCC[NH+]1CC2(CCN2C(=O)Cn2cc(Cl)cn2)C1 ZINC001279272275 1047752938 /nfs/dbraw/zinc/75/29/38/1047752938.db2.gz SLAPVTOMDZLDJY-UHFFFAOYSA-N 1 0 378.948 3.740 20 30 GHEDRO C=CCCCCCCCC[NH2+][C@@]12CC[C@@](NS(=O)(=O)N(C)C)(C1)CCC2 ZINC001279274762 1047753217 /nfs/dbraw/zinc/75/32/17/1047753217.db2.gz PIFBSEHHVFLGKU-VQTJNVASSA-N 1 0 385.618 3.734 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC001304994412 1047832010 /nfs/dbraw/zinc/83/20/10/1047832010.db2.gz YAAZUCABNRIYCV-FUHIMQAGSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001305073688 1047875044 /nfs/dbraw/zinc/87/50/44/1047875044.db2.gz LVGJJZXPIMFJOY-SFHVURJKSA-N 1 0 378.524 3.539 20 30 GHEDRO C#CCCC[NH+]1CC2(C[C@@H]2C(=O)Nc2c(F)cc(Cl)cc2Br)C1 ZINC001279750377 1047942056 /nfs/dbraw/zinc/94/20/56/1047942056.db2.gz WARMBDGBEZPOJT-GFCCVEGCSA-N 1 0 399.691 3.915 20 30 GHEDRO CCCCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)NCC1COC1 ZINC001279869214 1047973769 /nfs/dbraw/zinc/97/37/69/1047973769.db2.gz BWSFTFABKMUXBE-IBGZPJMESA-N 1 0 382.614 3.697 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001279870722 1047974658 /nfs/dbraw/zinc/97/46/58/1047974658.db2.gz LDAYFYAFXBJSHR-OTWHNJEPSA-N 1 0 382.614 3.790 20 30 GHEDRO C=CCCNC(=S)N1CCC[C@@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001279936155 1047993557 /nfs/dbraw/zinc/99/35/57/1047993557.db2.gz FGWFWNMWCCFYTD-LJQANCHMSA-N 1 0 378.611 3.580 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305449388 1048061374 /nfs/dbraw/zinc/06/13/74/1048061374.db2.gz FWQIUXUEYRXNPF-WWMYMODYSA-N 1 0 390.551 3.744 20 30 GHEDRO CC(C)=CCC[C@@H](C)C[NH+]1CC2(C1)SCC[C@H]2C(=O)N1CC(CC#N)C1 ZINC001280246822 1048145510 /nfs/dbraw/zinc/14/55/10/1048145510.db2.gz CNSAGIPDQLYEMF-MJGOQNOKSA-N 1 0 375.582 3.548 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(N)=O)cc1 ZINC001280286536 1048161910 /nfs/dbraw/zinc/16/19/10/1048161910.db2.gz IWDNVKLYYRMSKT-LJQANCHMSA-N 1 0 376.566 3.829 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001286285460 1048255332 /nfs/dbraw/zinc/25/53/32/1048255332.db2.gz NAEHYXHBXRSHLB-ROUUACIJSA-N 1 0 390.535 3.616 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)[NH+](CC)CC ZINC001286302705 1048264706 /nfs/dbraw/zinc/26/47/06/1048264706.db2.gz VOCQQLGLHSQLNL-PMACEKPBSA-N 1 0 397.567 3.662 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C)o2)n1CCC[N@H+](C)C1CCCCC1 ZINC001286439094 1048321342 /nfs/dbraw/zinc/32/13/42/1048321342.db2.gz NQPBWRSNNOQLON-UHFFFAOYSA-N 1 0 383.540 3.961 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](C)CC)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001286450153 1048329198 /nfs/dbraw/zinc/32/91/98/1048329198.db2.gz DFQLBTJMQBEWER-GOSISDBHSA-N 1 0 380.540 3.563 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286601743 1048382544 /nfs/dbraw/zinc/38/25/44/1048382544.db2.gz UCWBEIHHNMAHSF-UHFFFAOYSA-N 1 0 383.540 3.662 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286632795 1048401315 /nfs/dbraw/zinc/40/13/15/1048401315.db2.gz RCODHJNFEYQCBP-UHFFFAOYSA-N 1 0 393.988 3.994 20 30 GHEDRO C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286651936 1048419961 /nfs/dbraw/zinc/41/99/61/1048419961.db2.gz PXCNKHYQQFNZEQ-QUCCMNQESA-N 1 0 389.588 3.551 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001286662334 1048427479 /nfs/dbraw/zinc/42/74/79/1048427479.db2.gz GQFOWBCKVBQZCD-NRFANRHFSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286689255 1048450485 /nfs/dbraw/zinc/45/04/85/1048450485.db2.gz KRHLNDVHHVWCEU-MOPGFXCFSA-N 1 0 382.556 3.539 20 30 GHEDRO C=CCCCn1c(CCc2ccccc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001286703838 1048462639 /nfs/dbraw/zinc/46/26/39/1048462639.db2.gz TUVZWHFHDRECOV-OAQYLSRUSA-N 1 0 379.552 3.704 20 30 GHEDRO C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[NH+]1CCCCCC1 ZINC001286722612 1048479647 /nfs/dbraw/zinc/47/96/47/1048479647.db2.gz NGUDREJBQSUZQN-UHFFFAOYSA-N 1 0 378.524 3.925 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286724330 1048481325 /nfs/dbraw/zinc/48/13/25/1048481325.db2.gz KYGMGHDWNTXXET-HXUWFJFHSA-N 1 0 385.531 3.751 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N(C)C1Cc2ccccc2C1)C(C)C ZINC001286751690 1048505112 /nfs/dbraw/zinc/50/51/12/1048505112.db2.gz SKEQOPXGYANMSL-QHCPKHFHSA-N 1 0 393.579 3.889 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001286756259 1048509597 /nfs/dbraw/zinc/50/95/97/1048509597.db2.gz JLPSPYNXLAGRIF-UHFFFAOYSA-N 1 0 377.536 3.978 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCCC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001286757837 1048510697 /nfs/dbraw/zinc/51/06/97/1048510697.db2.gz XCSAQSCZFIBJMD-UHFFFAOYSA-N 1 0 389.613 3.942 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001286760767 1048514448 /nfs/dbraw/zinc/51/44/48/1048514448.db2.gz PRQDJXAQWWKERD-LJQANCHMSA-N 1 0 379.552 3.875 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286776885 1048522805 /nfs/dbraw/zinc/52/28/05/1048522805.db2.gz JCERFZNLWGVKTK-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001306270555 1048533087 /nfs/dbraw/zinc/53/30/87/1048533087.db2.gz OJPLUEYVNGRTIO-NQIIRXRSSA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286963603 1048555203 /nfs/dbraw/zinc/55/52/03/1048555203.db2.gz UVLRZVWDRDFGRJ-JKSUJKDBSA-N 1 0 398.942 3.679 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001306320267 1048565778 /nfs/dbraw/zinc/56/57/78/1048565778.db2.gz SLTXYBMOVLXXCK-QUCCMNQESA-N 1 0 380.540 3.805 20 30 GHEDRO CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[NH+]1CCCCC1 ZINC001287186289 1048635545 /nfs/dbraw/zinc/63/55/45/1048635545.db2.gz WPXQSNMQAPQAFJ-UHFFFAOYSA-N 1 0 392.551 3.928 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001306723431 1048852357 /nfs/dbraw/zinc/85/23/57/1048852357.db2.gz RAZRVNISBQZLRP-IBGZPJMESA-N 1 0 384.572 3.940 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001287694414 1048891029 /nfs/dbraw/zinc/89/10/29/1048891029.db2.gz SMPAMKKDQXHFQC-MSYCTHLASA-N 1 0 375.516 3.621 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001288679576 1049195385 /nfs/dbraw/zinc/19/53/85/1049195385.db2.gz NXVDGWZJEOGJAB-QZTJIDSGSA-N 1 0 382.556 3.834 20 30 GHEDRO CCOC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001307437622 1049272916 /nfs/dbraw/zinc/27/29/16/1049272916.db2.gz FJPACLYFPWKYAU-UHFFFAOYSA-N 1 0 393.487 3.832 20 30 GHEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC001288990815 1049276936 /nfs/dbraw/zinc/27/69/36/1049276936.db2.gz QWIIGUIJIHTSCI-SFHVURJKSA-N 1 0 382.467 3.971 20 30 GHEDRO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H](C)CN1CCOCC1 ZINC001307448160 1049284715 /nfs/dbraw/zinc/28/47/15/1049284715.db2.gz OMZMYNIHPALAJX-OAHLLOKOSA-N 1 0 385.321 3.545 20 30 GHEDRO C#Cc1cccc(N(C)CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC001307457357 1049294852 /nfs/dbraw/zinc/29/48/52/1049294852.db2.gz DWACDOHZDXNAKQ-QFIPXVFZSA-N 1 0 395.934 3.711 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1N1CCCCC1 ZINC001307806520 1049604732 /nfs/dbraw/zinc/60/47/32/1049604732.db2.gz CAZLUPVEAJSMIO-NRFANRHFSA-N 1 0 376.504 3.905 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001289909319 1049677108 /nfs/dbraw/zinc/67/71/08/1049677108.db2.gz NKRVXRXALPRXBJ-GOSISDBHSA-N 1 0 383.544 3.506 20 30 GHEDRO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001307956803 1049721896 /nfs/dbraw/zinc/72/18/96/1049721896.db2.gz FNWUAZMWOWOLAP-JOCHJYFZSA-N 1 0 376.504 3.883 20 30 GHEDRO CCOC(=O)c1csc(CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)n1 ZINC001308039168 1049789862 /nfs/dbraw/zinc/78/98/62/1049789862.db2.gz DJJAOKVHDYDGAG-UHFFFAOYSA-N 1 0 383.517 3.841 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001308040905 1049791787 /nfs/dbraw/zinc/79/17/87/1049791787.db2.gz RTYBGPABRBXELG-NHCUHLMSSA-N 1 0 390.531 3.701 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC001308051905 1049799750 /nfs/dbraw/zinc/79/97/50/1049799750.db2.gz ZHFQTPMNGZUVMW-OAHLLOKOSA-N 1 0 379.460 3.523 20 30 GHEDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001308097482 1049844150 /nfs/dbraw/zinc/84/41/50/1049844150.db2.gz CZOXFUZHXVOLTK-GCJKJVERSA-N 1 0 399.498 3.951 20 30 GHEDRO C#CCC1([NH2+]CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CCCCC1 ZINC001308104328 1049850163 /nfs/dbraw/zinc/85/01/63/1049850163.db2.gz COXLODCZGJPLGW-UHFFFAOYSA-N 1 0 396.531 3.659 20 30 GHEDRO C[N@H+](Cc1cc(C#N)cs1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC001308115317 1049859293 /nfs/dbraw/zinc/85/92/93/1049859293.db2.gz ZVSORILKVMNWMX-MRXNPFEDSA-N 1 0 383.286 3.861 20 30 GHEDRO C=CCC[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001308134429 1049877218 /nfs/dbraw/zinc/87/72/18/1049877218.db2.gz AVFQHFWLJSNGIS-RBUKOAKNSA-N 1 0 396.453 3.598 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)cc(OC)c1O ZINC001308186269 1049904969 /nfs/dbraw/zinc/90/49/69/1049904969.db2.gz KFFBTPCUSPFDMC-QFIPXVFZSA-N 1 0 396.531 3.601 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC001308220168 1049917357 /nfs/dbraw/zinc/91/73/57/1049917357.db2.gz JSYNKXUCGCRXDF-UHFFFAOYSA-N 1 0 385.471 3.561 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OCC)C2)ccc1OC ZINC001308376634 1049961756 /nfs/dbraw/zinc/96/17/56/1049961756.db2.gz QDYGRKHARCKQCV-HKUYNNGSSA-N 1 0 390.524 3.997 20 30 GHEDRO C#C[C@H]([NH2+]CCC1(NC(=O)OC(C)(C)C)CCOCC1)c1ccc(F)cc1 ZINC001308786206 1050093305 /nfs/dbraw/zinc/09/33/05/1050093305.db2.gz KQRHXBRRVIGEGN-SFHVURJKSA-N 1 0 376.472 3.554 20 30 GHEDRO C=CCC(C)(C)C[NH2+]Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC001308787643 1050094144 /nfs/dbraw/zinc/09/41/44/1050094144.db2.gz VJYLXPIHYXQMJO-UHFFFAOYSA-N 1 0 383.517 3.965 20 30 GHEDRO C=C(C)C[C@@H](NC1CC[NH+](Cc2ccccc2Br)CC1)C(=O)OC ZINC001308903763 1050152570 /nfs/dbraw/zinc/15/25/70/1050152570.db2.gz YKGLWKVOCVQGPL-GOSISDBHSA-N 1 0 395.341 3.511 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001309181472 1050439098 /nfs/dbraw/zinc/43/90/98/1050439098.db2.gz VNZUKEXKHLMUDN-GHTZIAJQSA-N 1 0 399.560 3.911 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001328833521 1050654232 /nfs/dbraw/zinc/65/42/32/1050654232.db2.gz GHMKIWAATRZWJT-LJQANCHMSA-N 1 0 379.504 3.637 20 30 GHEDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001309403070 1050683014 /nfs/dbraw/zinc/68/30/14/1050683014.db2.gz PLSPPQTXYGBXAK-UHFFFAOYSA-N 1 0 393.578 3.824 20 30 GHEDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001309402871 1050683555 /nfs/dbraw/zinc/68/35/55/1050683555.db2.gz MSSNRNZTRDCLNC-UHFFFAOYSA-N 1 0 379.551 3.515 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001330288694 1050993998 /nfs/dbraw/zinc/99/39/98/1050993998.db2.gz GVLWJBJUSPJRNM-ZYJGPIPZSA-N 1 0 380.536 3.907 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001310210495 1051225820 /nfs/dbraw/zinc/22/58/20/1051225820.db2.gz AHYYSKOLEMSUPI-QGZVFWFLSA-N 1 0 379.464 3.551 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001310350592 1051301449 /nfs/dbraw/zinc/30/14/49/1051301449.db2.gz LDMVPLQWPURRGK-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC001331971128 1051427862 /nfs/dbraw/zinc/42/78/62/1051427862.db2.gz LAABAGULFDERIU-FUHWJXTLSA-N 1 0 384.277 3.795 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001310862973 1051661680 /nfs/dbraw/zinc/66/16/80/1051661680.db2.gz CXPFCCXFDLEWOY-CJNGLKHVSA-N 1 0 394.313 3.572 20 30 GHEDRO COc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C#N ZINC001311119902 1051873999 /nfs/dbraw/zinc/87/39/99/1051873999.db2.gz BHWGWNIBXNUSQK-UHFFFAOYSA-N 1 0 378.476 3.874 20 30 GHEDRO CCOc1ccc(CN2CCN(C(=O)Nc3ccc(CCC#N)cc3)CC2)cc1 ZINC001311209220 1051942210 /nfs/dbraw/zinc/94/22/10/1051942210.db2.gz GSSZXCQUBWWLBG-UHFFFAOYSA-N 1 0 392.503 3.891 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC001311357047 1052054101 /nfs/dbraw/zinc/05/41/01/1052054101.db2.gz BPHYBGVVTQHGAU-BGYRXZFFSA-N 1 0 399.579 3.777 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H]1OCCc2sccc21)C(C)C ZINC001311388032 1052080270 /nfs/dbraw/zinc/08/02/70/1052080270.db2.gz LMQNTXFPSKBTHT-ILZDJORESA-N 1 0 391.581 3.748 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C[C@@H]2C1 ZINC001336272308 1052250407 /nfs/dbraw/zinc/25/04/07/1052250407.db2.gz SCALTOPDCWNZQI-DUVNUKRYSA-N 1 0 396.413 3.651 20 30 GHEDRO N#Cc1ccc(NCC2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC001336680780 1052303883 /nfs/dbraw/zinc/30/38/83/1052303883.db2.gz CEHDPLTUFUUNAD-UHFFFAOYSA-N 1 0 378.314 3.624 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1C#N ZINC001312558084 1052790375 /nfs/dbraw/zinc/79/03/75/1052790375.db2.gz OZDNBBUMMWNZIS-JOCHJYFZSA-N 1 0 378.520 3.823 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001312790168 1052871129 /nfs/dbraw/zinc/87/11/29/1052871129.db2.gz WAPQVRBJDXTVJQ-UHFFFAOYSA-N 1 0 381.442 3.729 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342368047 1053132318 /nfs/dbraw/zinc/13/23/18/1053132318.db2.gz LBRCTCATJSSQEY-UHFFFAOYSA-N 1 0 389.613 3.920 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001342454997 1053179000 /nfs/dbraw/zinc/17/90/00/1053179000.db2.gz LZOABSJODQGYRN-ZVDOUQERSA-N 1 0 399.583 3.797 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](CC)C(C)C ZINC001313761271 1053208799 /nfs/dbraw/zinc/20/87/99/1053208799.db2.gz WHKKDURYXQFFJZ-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001313760789 1053208839 /nfs/dbraw/zinc/20/88/39/1053208839.db2.gz RYYIMEFVKFPVSO-HXUWFJFHSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC1 ZINC001313907610 1053284198 /nfs/dbraw/zinc/28/41/98/1053284198.db2.gz IWQJQEULOXYIGE-HXUWFJFHSA-N 1 0 378.524 3.537 20 30 GHEDRO CCn1c(N2CCC[C@H](CC#N)C2)nnc1[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001342717585 1053318747 /nfs/dbraw/zinc/31/87/47/1053318747.db2.gz VUJGALGRSHBLME-OFNKIYASSA-N 1 0 392.551 3.592 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001342727789 1053323675 /nfs/dbraw/zinc/32/36/75/1053323675.db2.gz RCIXCQHUQQXWSO-HXUWFJFHSA-N 1 0 392.551 3.755 20 30 GHEDRO C[NH+]1CCC(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC001342784181 1053353860 /nfs/dbraw/zinc/35/38/60/1053353860.db2.gz MESNEMYPMUZDTI-CYBMUJFWSA-N 1 0 397.422 3.602 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001342790425 1053356556 /nfs/dbraw/zinc/35/65/56/1053356556.db2.gz GDLQWVKSACVXAX-UHFFFAOYSA-N 1 0 381.515 3.897 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342838041 1053384171 /nfs/dbraw/zinc/38/41/71/1053384171.db2.gz AZDAYRPSWJQHFN-UHFFFAOYSA-N 1 0 384.528 3.581 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)c1ccco1 ZINC001314653037 1053551274 /nfs/dbraw/zinc/55/12/74/1053551274.db2.gz KYWAMUITPGGKHH-IIBYNOLFSA-N 1 0 384.528 3.602 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CC1([NH+](C)C)CCCC1 ZINC001314741199 1053583342 /nfs/dbraw/zinc/58/33/42/1053583342.db2.gz KWCVKFVODLCIMA-UHFFFAOYSA-N 1 0 392.551 3.613 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc(C(F)F)c3)CC2)cc1 ZINC001343162853 1053586929 /nfs/dbraw/zinc/58/69/29/1053586929.db2.gz OCBRKCBYTSAXSQ-UHFFFAOYSA-N 1 0 398.457 3.913 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001343677177 1053966904 /nfs/dbraw/zinc/96/69/04/1053966904.db2.gz TUHMFBKYRYQBBC-WOJBJXKFSA-N 1 0 394.567 3.713 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001343850227 1054065918 /nfs/dbraw/zinc/06/59/18/1054065918.db2.gz CHQUKANJBDDZOX-VQTJNVASSA-N 1 0 382.556 3.574 20 30 GHEDRO N#CCC1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001316538125 1054219450 /nfs/dbraw/zinc/21/94/50/1054219450.db2.gz JFYDPOLJDBJMQY-UHFFFAOYSA-N 1 0 392.551 3.951 20 30 GHEDRO CCc1cc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC001317883771 1054289501 /nfs/dbraw/zinc/28/95/01/1054289501.db2.gz ZWWUGNGOQMKFIC-UHFFFAOYSA-N 1 0 399.922 3.743 20 30 GHEDRO Cc1cccc2[nH]c([C@@H](C#N)C(=O)CCc3ccc(OCC[NH+](C)C)cc3)nc21 ZINC001344535197 1054549588 /nfs/dbraw/zinc/54/95/88/1054549588.db2.gz XXSWLTGQLPOUGS-IBGZPJMESA-N 1 0 390.487 3.621 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001318671989 1054788635 /nfs/dbraw/zinc/78/86/35/1054788635.db2.gz RGHMTQQLHAHDFQ-VXKWHMMOSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H](C)CCC#N)n2CC2CC2)CC1 ZINC001345123018 1054911406 /nfs/dbraw/zinc/91/14/06/1054911406.db2.gz LWAXUJAYPPYKNW-LJQANCHMSA-N 1 0 392.551 3.726 20 30 GHEDRO N#CCc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC001318885850 1054934795 /nfs/dbraw/zinc/93/47/95/1054934795.db2.gz CFPGMOCRSIPZIZ-UHFFFAOYSA-N 1 0 397.544 3.607 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC001319693731 1055403650 /nfs/dbraw/zinc/40/36/50/1055403650.db2.gz BXCLDYJFAPHTOB-UHFFFAOYSA-N 1 0 397.223 3.519 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[NH+]2CC=CC2)cc1Cl ZINC001319703351 1055411719 /nfs/dbraw/zinc/41/17/19/1055411719.db2.gz ZFXDQSSNYMUYRG-LJQANCHMSA-N 1 0 380.879 3.989 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC001320159519 1055681527 /nfs/dbraw/zinc/68/15/27/1055681527.db2.gz GTNANUAQXCNNRC-NRFANRHFSA-N 1 0 378.472 3.923 20 30 GHEDRO C=C[C@H](COC)NC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001320304426 1055746217 /nfs/dbraw/zinc/74/62/17/1055746217.db2.gz YPWZWEDHOSWXHY-CTNGQTDRSA-N 1 0 389.540 3.789 20 30 GHEDRO C=CCO[C@H]1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899745 1056005648 /nfs/dbraw/zinc/00/56/48/1056005648.db2.gz WIEPQFPIVYPABH-OCCSQVGLSA-N 1 0 393.459 3.692 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2F)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001300468738 1056205916 /nfs/dbraw/zinc/20/59/16/1056205916.db2.gz KCWASFRXNHYGHD-IBGZPJMESA-N 1 0 397.542 3.732 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001321729667 1056376212 /nfs/dbraw/zinc/37/62/12/1056376212.db2.gz OUACMZIETHBLSL-OALUTQOASA-N 1 0 386.858 3.595 20 30 GHEDRO C#CCN(CC#C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001300537862 1056407628 /nfs/dbraw/zinc/40/76/28/1056407628.db2.gz KQRJOUKPAYEUCW-FQEVSTJZSA-N 1 0 383.584 3.594 20 30 GHEDRO C=CC[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)C(=O)OCC ZINC001321965023 1056461230 /nfs/dbraw/zinc/46/12/30/1056461230.db2.gz CESYOIQNLIICAJ-SFHVURJKSA-N 1 0 395.341 3.511 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001300572682 1056513224 /nfs/dbraw/zinc/51/32/24/1056513224.db2.gz ZZUAKQKHDQYEBY-JOCHJYFZSA-N 1 0 391.563 3.774 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001300580569 1056536093 /nfs/dbraw/zinc/53/60/93/1056536093.db2.gz DVKHLBYOPOBRSU-QFIPXVFZSA-N 1 0 389.547 3.702 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCCC1 ZINC001300603348 1056612496 /nfs/dbraw/zinc/61/24/96/1056612496.db2.gz ZUDDJCRTMFOOTJ-FQEVSTJZSA-N 1 0 395.551 3.590 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCC1 ZINC001300608725 1056631293 /nfs/dbraw/zinc/63/12/93/1056631293.db2.gz DOWJBQVLTNGKKS-UHFFFAOYSA-N 1 0 389.906 3.681 20 30 GHEDRO C#CCN(CC)c1nnc(C2CC2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001300621996 1056697294 /nfs/dbraw/zinc/69/72/94/1056697294.db2.gz SUKYRQKCGDNCDG-OAQYLSRUSA-N 1 0 377.536 3.526 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001300641947 1056752252 /nfs/dbraw/zinc/75/22/52/1056752252.db2.gz GNJJHFAPBSQOHM-HXUWFJFHSA-N 1 0 397.542 3.912 20 30 GHEDRO CSc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC001355282362 1057105463 /nfs/dbraw/zinc/10/54/63/1057105463.db2.gz FIFPOULOPPWXDE-UHFFFAOYSA-N 1 0 381.545 3.803 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(C3(C#N)CCCC3)n2C)CC1 ZINC001355310190 1057115053 /nfs/dbraw/zinc/11/50/53/1057115053.db2.gz FWDCMDUNBQVOST-GOSISDBHSA-N 1 0 384.572 3.631 20 30 GHEDRO C#CCN(CC1CC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001324663684 1057195369 /nfs/dbraw/zinc/19/53/69/1057195369.db2.gz DUWWNKMRGFZGHH-QFBILLFUSA-N 1 0 377.891 3.527 20 30 GHEDRO C=CCn1c(-c2cccc3ccncc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001356005422 1057353426 /nfs/dbraw/zinc/35/34/26/1057353426.db2.gz FYKXCIFFMNPMGB-UHFFFAOYSA-N 1 0 376.508 3.646 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001356006993 1057353677 /nfs/dbraw/zinc/35/36/77/1057353677.db2.gz VNASOJYKSABENG-AWEZNQCLSA-N 1 0 392.960 3.553 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001356040221 1057366533 /nfs/dbraw/zinc/36/65/33/1057366533.db2.gz CXFJPSZWCLFIKN-UXHICEINSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001356053050 1057370345 /nfs/dbraw/zinc/37/03/45/1057370345.db2.gz FGBDAQOKSPWIED-UNMCSNQZSA-N 1 0 398.514 3.567 20 30 GHEDRO C=CCN(CC(=O)OCC)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001357217972 1057639173 /nfs/dbraw/zinc/63/91/73/1057639173.db2.gz PHVVSVPRNPTKMP-UHFFFAOYSA-N 1 0 380.488 3.510 20 30 GHEDRO Cn1c([C@H]2CCCCN2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338394760 1058546340 /nfs/dbraw/zinc/54/63/40/1058546340.db2.gz LJKKMBXJSRXLEV-DENIHFKCSA-N 1 0 378.524 3.672 20 30 GHEDRO COc1cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1C#N ZINC001441385936 1058770784 /nfs/dbraw/zinc/77/07/84/1058770784.db2.gz XPFPNMACLGSIIV-KRWDZBQOSA-N 1 0 377.488 3.871 20 30 GHEDRO C=CCn1c(-c2cccc3ocnc32)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001338883576 1058855926 /nfs/dbraw/zinc/85/59/26/1058855926.db2.gz DOINNGCTJDEQPC-UHFFFAOYSA-N 1 0 380.496 3.583 20 30 GHEDRO C=CCn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001338995535 1058917747 /nfs/dbraw/zinc/91/77/47/1058917747.db2.gz QZUWVERGHNNAFP-QUCCMNQESA-N 1 0 383.540 3.520 20 30 GHEDRO C=CCn1c([C@@H](C)c2ccccn2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339042518 1058936394 /nfs/dbraw/zinc/93/63/94/1058936394.db2.gz ZRLKMDRXMPTBQU-SFHVURJKSA-N 1 0 382.556 3.568 20 30 GHEDRO C=CCn1c(N2CC[NH+]([C@@H](C)c3ccccc3)CC2)nnc1C(C)(C)CC#N ZINC001339054935 1058941748 /nfs/dbraw/zinc/94/17/48/1058941748.db2.gz BEDWCXFYUQLQSO-SFHVURJKSA-N 1 0 378.524 3.539 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001339141239 1058979491 /nfs/dbraw/zinc/97/94/91/1058979491.db2.gz XIVDDLFWDXSMAF-MTQWCTHYSA-N 1 0 387.572 3.508 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(c2nnc(N3CCC[C@@H](CC#N)C3)n2C)C1 ZINC001339284133 1059067314 /nfs/dbraw/zinc/06/73/14/1059067314.db2.gz SRNLMBREABTGNO-FGSXEWAUSA-N 1 0 396.514 3.577 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339798999 1059482873 /nfs/dbraw/zinc/48/28/73/1059482873.db2.gz UTUZAUWDMNSMCY-ROUUACIJSA-N 1 0 387.572 3.590 20 30 GHEDRO C=CCn1c(C(F)F)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001339830422 1059505846 /nfs/dbraw/zinc/50/58/46/1059505846.db2.gz QNDRUAQAYWANHK-UHFFFAOYSA-N 1 0 375.467 3.750 20 30 GHEDRO C#CCC(C)(C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccccc1 ZINC001340349096 1059879383 /nfs/dbraw/zinc/87/93/83/1059879383.db2.gz JPEKBQRBSHEFJE-UHFFFAOYSA-N 1 0 379.552 3.594 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340390939 1059907665 /nfs/dbraw/zinc/90/76/65/1059907665.db2.gz VIWJVWKSBZQAPO-CTNGQTDRSA-N 1 0 377.536 3.893 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001340395599 1059910450 /nfs/dbraw/zinc/91/04/50/1059910450.db2.gz NJDOCZBCAFEQAX-UHFFFAOYSA-N 1 0 392.960 3.696 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H](C/C=C/C)C1 ZINC001340778676 1060118555 /nfs/dbraw/zinc/11/85/55/1060118555.db2.gz VQVWNLHPZRVTRY-VUWNQBRQSA-N 1 0 399.583 3.963 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001341152018 1060453559 /nfs/dbraw/zinc/45/35/59/1060453559.db2.gz QQUNFPBRFDHWOG-RTBURBONSA-N 1 0 380.540 3.664 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC001450484990 1060603041 /nfs/dbraw/zinc/60/30/41/1060603041.db2.gz ITOKVWPDGUYNRZ-UHFFFAOYSA-N 1 0 391.302 3.817 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001450778396 1060684254 /nfs/dbraw/zinc/68/42/54/1060684254.db2.gz ABIAUXUBDJUNHF-UZLBHIALSA-N 1 0 386.417 3.836 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccc(OCc2nccn2C)cc1 ZINC001341692260 1060815469 /nfs/dbraw/zinc/81/54/69/1060815469.db2.gz QJHPRFJZKIYDTA-KRWDZBQOSA-N 1 0 376.460 3.752 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCc3cccnc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342202254 1061129719 /nfs/dbraw/zinc/12/97/19/1061129719.db2.gz GHBJWOCPYLZNDC-FQEVSTJZSA-N 1 0 394.567 3.684 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC1CC1 ZINC001346035563 1061309164 /nfs/dbraw/zinc/30/91/64/1061309164.db2.gz YRWGOIBUXVRRFY-HXUWFJFHSA-N 1 0 398.599 3.972 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001346228289 1061463606 /nfs/dbraw/zinc/46/36/06/1061463606.db2.gz HQWQMMBCQZYRQM-QRVBRYPASA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001346526459 1061654591 /nfs/dbraw/zinc/65/45/91/1061654591.db2.gz KCFAVUKRIGQHIR-RBUKOAKNSA-N 1 0 395.551 3.666 20 30 GHEDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C[C@@]2(C)C1 ZINC001454288937 1061701131 /nfs/dbraw/zinc/70/11/31/1061701131.db2.gz VTUGVYDUYICRCN-DHIUTWEWSA-N 1 0 375.472 3.764 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC1CC1 ZINC001346688711 1061793067 /nfs/dbraw/zinc/79/30/67/1061793067.db2.gz NDQJSKCUVLMAOS-UHFFFAOYSA-N 1 0 384.572 3.724 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)CC1 ZINC001455950445 1062367970 /nfs/dbraw/zinc/36/79/70/1062367970.db2.gz YXXXSUXNGLEBPV-QZTJIDSGSA-N 1 0 381.545 3.784 20 30 GHEDRO N#C[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C3CCCC3)n2CC2CC2)C1 ZINC001347925510 1062784092 /nfs/dbraw/zinc/78/40/92/1062784092.db2.gz RBKMCOGOXYADIG-AZUAARDMSA-N 1 0 382.556 3.898 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001348286122 1062980247 /nfs/dbraw/zinc/98/02/47/1062980247.db2.gz SLTONNNKVOMJCG-FQEVSTJZSA-N 1 0 395.503 3.612 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001348503531 1063146541 /nfs/dbraw/zinc/14/65/41/1063146541.db2.gz ZCGGBSQRWCAQHG-KRWDZBQOSA-N 1 0 398.580 3.545 20 30 GHEDRO N#CCc1ccsc1C(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001458031625 1063514409 /nfs/dbraw/zinc/51/44/09/1063514409.db2.gz FXZLNIBVKUQMSG-UHFFFAOYSA-N 1 0 375.497 3.923 20 30 GHEDRO N#CCc1ccsc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001458248335 1063693955 /nfs/dbraw/zinc/69/39/55/1063693955.db2.gz VYMJDUWSQWMJLE-VAMGGRTRSA-N 1 0 379.529 3.845 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)c(F)c1 ZINC001437014774 1063737412 /nfs/dbraw/zinc/73/74/12/1063737412.db2.gz CPDIEZCSMYHIIF-TZIWHRDSSA-N 1 0 381.426 3.718 20 30 GHEDRO C[N@@H+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@@H]1Cc1ccccc1 ZINC001458366510 1063765735 /nfs/dbraw/zinc/76/57/35/1063765735.db2.gz HLRBWGSCLJMSFS-INIZCTEOSA-N 1 0 396.416 3.887 20 30 GHEDRO N#Cc1ccc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c(F)c1Br ZINC001458512656 1063859191 /nfs/dbraw/zinc/85/91/91/1063859191.db2.gz HRWNCYWEWKYEOT-HOTGVXAUSA-N 1 0 386.268 3.923 20 30 GHEDRO CCc1ccc(C[NH+]2CCN(c3cc(C#N)c(Br)cn3)CC2)cc1 ZINC001458565262 1063893542 /nfs/dbraw/zinc/89/35/42/1063893542.db2.gz RCOSRWQXKVKCBX-UHFFFAOYSA-N 1 0 385.309 3.600 20 30 GHEDRO C=CCn1c(SC[C@H]2CCC[N@H+]2C)nc2sc3c(c2c1=O)CCCC3 ZINC001458818803 1063940898 /nfs/dbraw/zinc/94/08/98/1063940898.db2.gz NVNAVRHNMJKYSB-CYBMUJFWSA-N 1 0 375.563 3.709 20 30 GHEDRO Cn1c(C2=[NH+]N(c3ccccc3)[C@@H](C#N)C2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001350441381 1064087502 /nfs/dbraw/zinc/08/75/02/1064087502.db2.gz JXVKUSKMBKHVFC-TZIWHRDSSA-N 1 0 397.486 3.663 20 30 GHEDRO C[C@H](c1ccsc1)N1CCN(c2nnc(CCCCC#N)n2CC2CC2)CC1 ZINC001350449691 1064089545 /nfs/dbraw/zinc/08/95/45/1064089545.db2.gz SNGHYDKQRXEGBS-QGZVFWFLSA-N 1 0 398.580 3.869 20 30 GHEDRO CCC[C@@H]1CN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459820273 1064232022 /nfs/dbraw/zinc/23/20/22/1064232022.db2.gz PQISWJPPVITFJN-PKTZIBPZSA-N 1 0 391.515 3.759 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001460049267 1064375651 /nfs/dbraw/zinc/37/56/51/1064375651.db2.gz IVHWBQFHYXJMRK-UHFFFAOYSA-N 1 0 380.492 3.870 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@H](COCC)C1 ZINC001351534874 1064504824 /nfs/dbraw/zinc/50/48/24/1064504824.db2.gz OIZDGFLVFYENHB-UYAOXDASSA-N 1 0 387.572 3.797 20 30 GHEDRO CC(C)C#CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001464072057 1064800033 /nfs/dbraw/zinc/80/00/33/1064800033.db2.gz GDNJIZGEBUNVCW-UHFFFAOYSA-N 1 0 375.516 3.602 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1Cc2ccccc2[C@H]1C ZINC001352152907 1064888093 /nfs/dbraw/zinc/88/80/93/1064888093.db2.gz WMVGDBKAUHQSAB-FQVATPOOSA-N 1 0 377.536 3.961 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC001464633845 1065124956 /nfs/dbraw/zinc/12/49/56/1065124956.db2.gz XTXFPDJZLYVCFV-UHFFFAOYSA-N 1 0 391.515 3.655 20 30 GHEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001464978992 1065302617 /nfs/dbraw/zinc/30/26/17/1065302617.db2.gz LOWVGEORXASNFD-SFHVURJKSA-N 1 0 398.576 3.541 20 30 GHEDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001465222924 1065473332 /nfs/dbraw/zinc/47/33/32/1065473332.db2.gz AKQPJJAGQMXDDQ-UHFFFAOYSA-N 1 0 381.480 3.797 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001353063983 1065601067 /nfs/dbraw/zinc/60/10/67/1065601067.db2.gz PZFLYAKVUKQCGH-FRIKZZABSA-N 1 0 397.563 3.685 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[NH+]1CCCC1 ZINC001300275584 1065906143 /nfs/dbraw/zinc/90/61/43/1065906143.db2.gz WRRAYNIERIWZCT-QZTJIDSGSA-N 1 0 399.514 3.501 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300293055 1065940228 /nfs/dbraw/zinc/94/02/28/1065940228.db2.gz OIXAWSWEBUJBQH-QGZVFWFLSA-N 1 0 383.515 3.807 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300311340 1065969439 /nfs/dbraw/zinc/96/94/39/1065969439.db2.gz SGMNKDAPMVWYEY-GOSISDBHSA-N 1 0 399.608 3.908 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745298 1066013309 /nfs/dbraw/zinc/01/33/09/1066013309.db2.gz FUMMTBCKRXVCFH-ZHACJKMWSA-N 1 0 385.467 3.921 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2C[C@H]2c2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000847746473 1066015839 /nfs/dbraw/zinc/01/58/39/1066015839.db2.gz IYVGRUNPCMLIMZ-LEWJYISDSA-N 1 0 375.472 3.534 20 30 GHEDRO CON=Cc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000847746047 1066020031 /nfs/dbraw/zinc/02/00/31/1066020031.db2.gz WRRKFWMHSGNBFT-UHFFFAOYSA-N 1 0 391.471 3.630 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001353547620 1066023476 /nfs/dbraw/zinc/02/34/76/1066023476.db2.gz SHHIQNKKXTYKCJ-KRWDZBQOSA-N 1 0 377.488 3.871 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC001466497298 1066172797 /nfs/dbraw/zinc/17/27/97/1066172797.db2.gz LIJKHVXQGIAMNH-OAHLLOKOSA-N 1 0 379.302 3.563 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N2CCC[NH2+]C(C)(C)C2)n(-c2ccc(C#N)cc2)n1 ZINC001466520563 1066178141 /nfs/dbraw/zinc/17/81/41/1066178141.db2.gz VYZYEASRPWTNKB-UHFFFAOYSA-N 1 0 394.523 3.647 20 30 GHEDRO C[C@H]1CC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)=NO1 ZINC001466619334 1066216456 /nfs/dbraw/zinc/21/64/56/1066216456.db2.gz UQKCVIDYJLAIQG-RYGJVYDSSA-N 1 0 397.906 3.794 20 30 GHEDRO C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300400105 1066223116 /nfs/dbraw/zinc/22/31/16/1066223116.db2.gz CQVPGWIZICTSRL-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001467004549 1066441532 /nfs/dbraw/zinc/44/15/32/1066441532.db2.gz WUSNPRYCSAIXDA-ZWKOTPCHSA-N 1 0 391.475 3.802 20 30 GHEDRO COc1cc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c(F)cc1C#N ZINC001467073913 1067050758 /nfs/dbraw/zinc/05/07/58/1067050758.db2.gz CUTJEZRYEQQIFH-JKSUJKDBSA-N 1 0 396.466 3.833 20 30 GHEDRO COc1ncc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1C#N ZINC001467268737 1067189047 /nfs/dbraw/zinc/18/90/47/1067189047.db2.gz AZZKJIVCYZNWNL-INIZCTEOSA-N 1 0 393.491 3.658 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccccc1 ZINC001357641419 1067211262 /nfs/dbraw/zinc/21/12/62/1067211262.db2.gz AFHFKFNGQBGFPZ-TZIWHRDSSA-N 1 0 392.551 3.798 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC001357756316 1067259152 /nfs/dbraw/zinc/25/91/52/1067259152.db2.gz XLYBJILQUMEPKL-UHFFFAOYSA-N 1 0 396.922 3.762 20 30 GHEDRO N#Cc1ccc(OC2CN(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)C2)cc1 ZINC001467574983 1067366209 /nfs/dbraw/zinc/36/62/09/1067366209.db2.gz CRQIDHAIQSLFRL-UHFFFAOYSA-N 1 0 396.535 3.520 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](O)c1ccccc1)C(C)C ZINC001467660600 1067404827 /nfs/dbraw/zinc/40/48/27/1067404827.db2.gz UFRQUEKZZASRLS-YPAWHYETSA-N 1 0 385.552 3.593 20 30 GHEDRO C=C[C@H](CC)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC001358268562 1067459413 /nfs/dbraw/zinc/45/94/13/1067459413.db2.gz INGGHPRAWZEPNU-CQSZACIVSA-N 1 0 380.330 3.742 20 30 GHEDRO C#CCC1(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CCCCC1 ZINC001467864006 1067505349 /nfs/dbraw/zinc/50/53/49/1067505349.db2.gz KHZDMUGEWOSDDT-PMACEKPBSA-N 1 0 397.563 3.821 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1CC[NH+](CCC)CC1)c1ccc(Br)cc1 ZINC001477724379 1078543321 /nfs/dbraw/zinc/54/33/21/1078543321.db2.gz UISMDPCQDGZFDQ-GOSISDBHSA-N 1 0 392.341 3.545 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001468050945 1067580735 /nfs/dbraw/zinc/58/07/35/1067580735.db2.gz AKFQCFJFCBLMRM-NRFANRHFSA-N 1 0 381.907 3.978 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)(C)C)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001358871040 1067588326 /nfs/dbraw/zinc/58/83/26/1067588326.db2.gz ZAFKSQCDXAJKBQ-GHTZIAJQSA-N 1 0 393.579 3.870 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001358876394 1067590615 /nfs/dbraw/zinc/59/06/15/1067590615.db2.gz IQJRYLQRKHFQOY-QFBILLFUSA-N 1 0 385.943 3.931 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)[NH+](CC)CC ZINC001358938551 1067621234 /nfs/dbraw/zinc/62/12/34/1067621234.db2.gz DLPYWDBQNLNMEO-QUCCMNQESA-N 1 0 397.567 3.835 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001358950690 1067627539 /nfs/dbraw/zinc/62/75/39/1067627539.db2.gz VJCIXZBWLTTYPU-GOSISDBHSA-N 1 0 399.970 3.856 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001358984627 1067635198 /nfs/dbraw/zinc/63/51/98/1067635198.db2.gz CCWAFSKJRXMDIJ-UNMCSNQZSA-N 1 0 391.563 3.866 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001359016400 1067655454 /nfs/dbraw/zinc/65/54/54/1067655454.db2.gz BAIXSTWZMDXZIF-OAQYLSRUSA-N 1 0 397.542 3.596 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC[N@H+]1CC=CCC1 ZINC001359065963 1067667863 /nfs/dbraw/zinc/66/78/63/1067667863.db2.gz JERWCSXDRFCENH-JOCHJYFZSA-N 1 0 395.938 3.853 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359071305 1067671745 /nfs/dbraw/zinc/67/17/45/1067671745.db2.gz LVJSSPIYYJATMK-WZONZLPQSA-N 1 0 379.552 3.962 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001359072553 1067673367 /nfs/dbraw/zinc/67/33/67/1067673367.db2.gz IBEKEFFDJALPAM-PGRDOPGGSA-N 1 0 397.592 3.654 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCCC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359112462 1067691135 /nfs/dbraw/zinc/69/11/35/1067691135.db2.gz KLWYSVMMCHKAQP-KDURUIRLSA-N 1 0 389.588 3.837 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001359166959 1067720793 /nfs/dbraw/zinc/72/07/93/1067720793.db2.gz OFYFOFNBWSVZTC-FQEVSTJZSA-N 1 0 394.567 3.685 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001474595876 1067731327 /nfs/dbraw/zinc/73/13/27/1067731327.db2.gz QAHORVQWBNDCKO-MRXNPFEDSA-N 1 0 377.326 3.521 20 30 GHEDRO C=CC(C)(C)CCNC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC001468500922 1067753331 /nfs/dbraw/zinc/75/33/31/1067753331.db2.gz MEYAWLKCJBVXLW-QGZVFWFLSA-N 1 0 390.547 3.930 20 30 GHEDRO C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359203498 1067773442 /nfs/dbraw/zinc/77/34/42/1067773442.db2.gz QDYLFPSPBJDCMX-LJQANCHMSA-N 1 0 375.561 3.654 20 30 GHEDRO C=CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359218104 1067794890 /nfs/dbraw/zinc/79/48/90/1067794890.db2.gz XMFFNYCJBAHRMM-ICSRJNTNSA-N 1 0 395.551 3.517 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[N@@H+](CC)C[C@H]2C)s1 ZINC001468770767 1067874538 /nfs/dbraw/zinc/87/45/38/1067874538.db2.gz QPHULDOJIADXNC-CYBMUJFWSA-N 1 0 388.002 3.781 20 30 GHEDRO C=CCN(c1nnc(CC2CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C)C1CC1 ZINC001359253055 1067906699 /nfs/dbraw/zinc/90/66/99/1067906699.db2.gz QVCDMPHMRXJUFO-FQEVSTJZSA-N 1 0 383.515 3.827 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1CC1([NH+](C)C)CCC1 ZINC001359258823 1067921163 /nfs/dbraw/zinc/92/11/63/1067921163.db2.gz CXZYTRKDRQVPQR-UHFFFAOYSA-N 1 0 379.552 3.908 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001359276264 1067945425 /nfs/dbraw/zinc/94/54/25/1067945425.db2.gz XJVVOFULURXIPM-UHFFFAOYSA-N 1 0 383.540 3.666 20 30 GHEDRO C=CC[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccncc1 ZINC001477934713 1078635609 /nfs/dbraw/zinc/63/56/09/1078635609.db2.gz YPZGHXKUQIRCFF-FSSWDIPSSA-N 1 0 376.504 3.615 20 30 GHEDRO CC(C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCCC1 ZINC001359661139 1068120601 /nfs/dbraw/zinc/12/06/01/1068120601.db2.gz DMXAOLTWPCBPTK-KNQAVFIVSA-N 1 0 384.572 3.796 20 30 GHEDRO Cc1ccc(CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC001469429809 1068160155 /nfs/dbraw/zinc/16/01/55/1068160155.db2.gz ADLBCOOEQNFCGB-SIKLNZKXSA-N 1 0 390.531 3.967 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(F)(F)C(F)F ZINC001359847539 1068219935 /nfs/dbraw/zinc/21/99/35/1068219935.db2.gz OECHBDUWUPCVTB-UHFFFAOYSA-N 1 0 388.327 3.886 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccsc1 ZINC001360106644 1068363091 /nfs/dbraw/zinc/36/30/91/1068363091.db2.gz LOIDPVJGQBOSJP-UHFFFAOYSA-N 1 0 394.548 3.855 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001360467077 1068518479 /nfs/dbraw/zinc/51/84/79/1068518479.db2.gz LEGHIFDKDIQDSS-SFHVURJKSA-N 1 0 394.567 3.958 20 30 GHEDRO CC(C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360592573 1068574950 /nfs/dbraw/zinc/57/49/50/1068574950.db2.gz XYJJMFSHHQXRIT-SFHVURJKSA-N 1 0 380.540 3.641 20 30 GHEDRO C[C@H](Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001360595187 1068576614 /nfs/dbraw/zinc/57/66/14/1068576614.db2.gz YRHZJAXPVWDWNV-SFHVURJKSA-N 1 0 394.567 3.816 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001470124527 1068583948 /nfs/dbraw/zinc/58/39/48/1068583948.db2.gz WXWZUVAAWXGHIS-QHCPKHFHSA-N 1 0 379.504 3.715 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)cc1 ZINC001460138915 1068806083 /nfs/dbraw/zinc/80/60/83/1068806083.db2.gz XUNADWRMWSNDDF-OAQYLSRUSA-N 1 0 376.500 3.960 20 30 GHEDRO N#Cc1cncc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460221166 1068869348 /nfs/dbraw/zinc/86/93/48/1068869348.db2.gz GLBFRNQLPGPLMH-BJKOFHAPSA-N 1 0 386.474 3.850 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)c1 ZINC001460289894 1068909132 /nfs/dbraw/zinc/90/91/32/1068909132.db2.gz NKGRKCBKPMXCJJ-IBGZPJMESA-N 1 0 394.393 3.939 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460311786 1068918804 /nfs/dbraw/zinc/91/88/04/1068918804.db2.gz AAFZRFWHXHFNGR-MRXNPFEDSA-N 1 0 377.479 3.618 20 30 GHEDRO C=CC[C@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001460359586 1068940798 /nfs/dbraw/zinc/94/07/98/1068940798.db2.gz HCQDDEGQGSLIID-LBPRGKRZSA-N 1 0 386.233 3.988 20 30 GHEDRO C=CC[C@@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001460359571 1068940855 /nfs/dbraw/zinc/94/08/55/1068940855.db2.gz HCQDDEGQGSLIID-GFCCVEGCSA-N 1 0 386.233 3.988 20 30 GHEDRO Cc1ccc(C[C@]2(C)CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC001460561707 1068997099 /nfs/dbraw/zinc/99/70/99/1068997099.db2.gz UZISIHRBXQGTGL-UPVQGACJSA-N 1 0 378.516 3.898 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460628532 1069041505 /nfs/dbraw/zinc/04/15/05/1069041505.db2.gz WHNATFMHGBJXJT-GGAORHGYSA-N 1 0 396.579 3.908 20 30 GHEDRO CCc1ccc([C@@H](C#N)NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)cc1 ZINC001460646887 1069054467 /nfs/dbraw/zinc/05/44/67/1069054467.db2.gz RFQFUZLCNBHDJH-JOCHJYFZSA-N 1 0 379.504 3.964 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H]2CSC[C@H]2C1 ZINC001460655696 1069061452 /nfs/dbraw/zinc/06/14/52/1069061452.db2.gz RLTAQHSUAMLTGE-QLFBSQMISA-N 1 0 389.590 3.901 20 30 GHEDRO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC001460722645 1069123203 /nfs/dbraw/zinc/12/32/03/1069123203.db2.gz YHIMVNJWBJXADJ-SFHVURJKSA-N 1 0 383.442 3.721 20 30 GHEDRO C#C[C@@H](NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccc(Cl)cc1 ZINC001460793446 1069182986 /nfs/dbraw/zinc/18/29/86/1069182986.db2.gz RHONRAZWTKLCST-JOCHJYFZSA-N 1 0 395.934 3.975 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC001460861912 1069233104 /nfs/dbraw/zinc/23/31/04/1069233104.db2.gz DUJSPTREZBWYON-IAGOWNOFSA-N 1 0 393.487 3.616 20 30 GHEDRO C=C[C@H](C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC001470451183 1072560281 /nfs/dbraw/zinc/56/02/81/1072560281.db2.gz FFEFTFIRVQWZLO-GOTSBHOMSA-N 1 0 393.531 3.871 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(Cl)cc1F ZINC001470664878 1072676029 /nfs/dbraw/zinc/67/60/29/1072676029.db2.gz ANXVZMPBDLLZNK-OALUTQOASA-N 1 0 388.874 3.541 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCC(CC)(c2ccc(Cl)cc2)CC1 ZINC001478736400 1078970824 /nfs/dbraw/zinc/97/08/24/1078970824.db2.gz PAPRXVRYNQAWMG-UHFFFAOYSA-N 1 0 375.944 3.748 20 30 GHEDRO CC[N@H+](CCCNC(=O)N1CCc2c(CC#N)cccc2C1)C1CCCCC1 ZINC001478928194 1079029218 /nfs/dbraw/zinc/02/92/18/1079029218.db2.gz PNBBLMRMPXCGLF-UHFFFAOYSA-N 1 0 382.552 3.865 20 30 GHEDRO C=CCC1(O)CCN(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001479108293 1079107760 /nfs/dbraw/zinc/10/77/60/1079107760.db2.gz XSVQVGIGCZTDPF-OAQYLSRUSA-N 1 0 385.552 3.544 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001472755163 1073651666 /nfs/dbraw/zinc/65/16/66/1073651666.db2.gz NNQZSSXCWJIHDH-MRXNPFEDSA-N 1 0 393.384 3.895 20 30 GHEDRO Cc1cc(F)ccc1[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001479251682 1079165743 /nfs/dbraw/zinc/16/57/43/1079165743.db2.gz OPTCSMORVWUECJ-QGZVFWFLSA-N 1 0 382.483 3.840 20 30 GHEDRO C=C[C@@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473433740 1073961772 /nfs/dbraw/zinc/96/17/72/1073961772.db2.gz DJQSZJNQFVPSDC-YLJYHZDGSA-N 1 0 375.944 3.634 20 30 GHEDRO N#Cc1ccnc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1 ZINC001473505056 1073992656 /nfs/dbraw/zinc/99/26/56/1073992656.db2.gz NJDJCRVEENASFX-NFBKMPQASA-N 1 0 389.430 3.633 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC001473782344 1074139852 /nfs/dbraw/zinc/13/98/52/1074139852.db2.gz PCDTYIGKBJTVOR-IIDMSEBBSA-N 1 0 387.549 3.717 20 30 GHEDRO C=CCNC(=O)C[NH2+]Cc1cn(-c2ccccc2C)nc1-c1ccc(CC)cc1 ZINC001474086675 1074259756 /nfs/dbraw/zinc/25/97/56/1074259756.db2.gz GIDOHLKHCHTMQX-UHFFFAOYSA-N 1 0 388.515 3.802 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)ccc1OC ZINC001474181497 1074285903 /nfs/dbraw/zinc/28/59/03/1074285903.db2.gz IHYWOXANPPYDMJ-LJQANCHMSA-N 1 0 384.451 3.684 20 30 GHEDRO Cc1ccccc1CN1CCO[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001474240667 1074306109 /nfs/dbraw/zinc/30/61/09/1074306109.db2.gz MGDVWFVPODWVGT-HSZRJFAPSA-N 1 0 375.516 3.541 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC001474255466 1074311166 /nfs/dbraw/zinc/31/11/66/1074311166.db2.gz MJBUZTDJHCIKDK-XYPYZODXSA-N 1 0 375.200 3.851 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC001474265591 1074317223 /nfs/dbraw/zinc/31/72/23/1074317223.db2.gz BYQGRISCVYNAHG-INIZCTEOSA-N 1 0 375.925 3.563 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C)c(C2OCCO2)cc1C ZINC001474367528 1074366817 /nfs/dbraw/zinc/36/68/17/1074366817.db2.gz FQTLODNIICQHJM-UHFFFAOYSA-N 1 0 380.488 3.869 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001493735006 1079290409 /nfs/dbraw/zinc/29/04/09/1079290409.db2.gz USKFJTSFTTVVLR-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001476032746 1075072005 /nfs/dbraw/zinc/07/20/05/1075072005.db2.gz LJTXKGWDDOYRBV-QFIPXVFZSA-N 1 0 378.476 3.743 20 30 GHEDRO CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCC1 ZINC001500041507 1079572652 /nfs/dbraw/zinc/57/26/52/1079572652.db2.gz ZXFDRZGTMBTDAD-GOSISDBHSA-N 1 0 380.540 3.927 20 30 GHEDRO CCC[N@H+](CC)CCn1c(N(C)Cc2cccc(C#N)c2)nnc1C(C)(C)C ZINC001500794622 1079616484 /nfs/dbraw/zinc/61/64/84/1079616484.db2.gz KSQNCHTYMZASLV-UHFFFAOYSA-N 1 0 382.556 3.816 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C1 ZINC000828161823 601300574 /nfs/dbraw/zinc/30/05/74/601300574.db2.gz PLRGSAKHUUQSSK-IXFSTUDKSA-N 1 0 391.515 3.952 20 30 GHEDRO N#Cc1cccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C(=O)[O-])c1 ZINC000833074865 601303654 /nfs/dbraw/zinc/30/36/54/601303654.db2.gz FRJNKYVUGQSEBK-JOCHJYFZSA-N 1 0 377.488 3.850 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164424869 718939514 /nfs/dbraw/zinc/93/95/14/718939514.db2.gz QWOYFCVJLMIEFQ-DZGCQCFKSA-N 1 0 395.240 3.881 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)cnc1Cl ZINC001164628729 719045758 /nfs/dbraw/zinc/04/57/58/719045758.db2.gz ZNLLLFMDSUHPNJ-HKUYNNGSSA-N 1 0 388.849 3.735 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(Cl)c(C#N)n3)C[C@H]21 ZINC001165026631 721802722 /nfs/dbraw/zinc/80/27/22/721802722.db2.gz RQBIJAQNWBXMAT-XAUMDUMWSA-N 1 0 381.911 3.739 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)C1 ZINC001165038297 721899616 /nfs/dbraw/zinc/89/96/16/721899616.db2.gz PQTVKXVBNMDJBE-HNNXBMFYSA-N 1 0 391.853 3.744 20 30 GHEDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000581058211 837467734 /nfs/dbraw/zinc/46/77/34/837467734.db2.gz VUXJZZPLMZLYGM-KSSFIOAISA-N 1 0 380.517 3.915 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC000655632125 837502393 /nfs/dbraw/zinc/50/23/93/837502393.db2.gz FYPYPSUJNIWGRY-UHFFFAOYSA-N 1 0 397.567 3.882 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000581777296 837586396 /nfs/dbraw/zinc/58/63/96/837586396.db2.gz SRGCMIKULYAKSJ-JOCHJYFZSA-N 1 0 389.499 3.727 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000180961865 837741013 /nfs/dbraw/zinc/74/10/13/837741013.db2.gz APOZRFMWAHJXFN-ZDUSSCGKSA-N 1 0 377.366 3.789 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000579707924 834417511 /nfs/dbraw/zinc/41/75/11/834417511.db2.gz COTYXXSQCSYPBK-NSHDSACASA-N 1 0 379.283 3.532 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262395405 834619774 /nfs/dbraw/zinc/61/97/74/834619774.db2.gz ZEQHXYUBTUGAHW-UHFFFAOYSA-N 1 0 391.475 3.577 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000430174609 834748768 /nfs/dbraw/zinc/74/87/68/834748768.db2.gz ZKTSURJFAJFNHI-IBGZPJMESA-N 1 0 379.460 3.570 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000583626173 834771132 /nfs/dbraw/zinc/77/11/32/834771132.db2.gz HSFHVYLPJZCHBA-KIHHCIJBSA-N 1 0 381.516 3.643 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000583635672 834781601 /nfs/dbraw/zinc/78/16/01/834781601.db2.gz QITNUDQGXFZKLE-GOSISDBHSA-N 1 0 381.907 3.705 20 30 GHEDRO COC(=O)c1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)cc1 ZINC000278352590 834781999 /nfs/dbraw/zinc/78/19/99/834781999.db2.gz WGHHTRYATPHHBN-UHFFFAOYSA-O 1 0 397.520 3.622 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000246109754 834807965 /nfs/dbraw/zinc/80/79/65/834807965.db2.gz DSZMVDRUKFSODW-RTBURBONSA-N 1 0 398.551 3.721 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2Cl)n1 ZINC000430179927 834808967 /nfs/dbraw/zinc/80/89/67/834808967.db2.gz QBTJZWYHDNRCME-QGZVFWFLSA-N 1 0 393.878 3.660 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1nccs1)[n+]1ccc(C(C)(C)C)cc1 ZINC000278364117 834824423 /nfs/dbraw/zinc/82/44/23/834824423.db2.gz YTVNRGQFVTYUNY-UHFFFAOYSA-O 1 0 394.611 3.620 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c(C#N)c1C ZINC000177187167 837812396 /nfs/dbraw/zinc/81/23/96/837812396.db2.gz RVAKONWRTVLSQI-IBGZPJMESA-N 1 0 385.533 3.694 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458629912 834832006 /nfs/dbraw/zinc/83/20/06/834832006.db2.gz XROPJLQRCZMTHU-WMLDXEAASA-N 1 0 380.895 3.663 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C(=O)OC)cc2)C(=S)N[C@H](C)CC)cc1 ZINC000278376414 834878446 /nfs/dbraw/zinc/87/84/46/834878446.db2.gz YIOFPBAUCCXAJC-OAHLLOKOSA-O 1 0 399.536 3.650 20 30 GHEDRO C#Cc1cccc(N(CC)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000728573721 834926575 /nfs/dbraw/zinc/92/65/75/834926575.db2.gz YJFYECQIJZHXMW-UHFFFAOYSA-N 1 0 389.543 3.583 20 30 GHEDRO COc1ccc2c(c1)CCCN(CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000728575115 834953828 /nfs/dbraw/zinc/95/38/28/834953828.db2.gz QHNCBHPVAPVTQY-SFHVURJKSA-N 1 0 391.496 3.930 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157564513 834959057 /nfs/dbraw/zinc/95/90/57/834959057.db2.gz NZVMSSNAGHZMTG-AEFFLSMTSA-N 1 0 381.524 3.933 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583755828 834994219 /nfs/dbraw/zinc/99/42/19/834994219.db2.gz GDOVPBUBKJZXLF-NRFANRHFSA-N 1 0 378.476 3.857 20 30 GHEDRO O[C@@H](CC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000685458191 835023730 /nfs/dbraw/zinc/02/37/30/835023730.db2.gz QTHBNHJNDUXZKY-QWRGUYRKSA-N 1 0 399.253 3.962 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2cnccc2C)c1C#N ZINC000611939663 835085764 /nfs/dbraw/zinc/08/57/64/835085764.db2.gz TZVYHBZSTJZYLN-INIZCTEOSA-N 1 0 391.475 3.611 20 30 GHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C12CCCCC2 ZINC000610215825 835169938 /nfs/dbraw/zinc/16/99/38/835169938.db2.gz INQAQDNQUQRGJN-RTWAWAEBSA-N 1 0 383.536 3.993 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000329523132 835185583 /nfs/dbraw/zinc/18/55/83/835185583.db2.gz RLTJJASJNZOREE-MSOLQXFVSA-N 1 0 399.539 3.553 20 30 GHEDRO C#CCOc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001266289242 835186903 /nfs/dbraw/zinc/18/69/03/835186903.db2.gz HVRWNLYDXYZVJC-PZJWPPBQSA-N 1 0 376.500 3.729 20 30 GHEDRO C[NH+]=C(NCc1cc(F)cc(Br)c1)N1CCC(OCC2CC2)CC1 ZINC000261730033 844039351 /nfs/dbraw/zinc/03/93/51/844039351.db2.gz JJUWNEGCLPZVSR-UHFFFAOYSA-N 1 0 398.320 3.555 20 30 GHEDRO N#CCC[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000151273955 835344181 /nfs/dbraw/zinc/34/41/81/835344181.db2.gz YUBNAAFFYIJNHT-OAQYLSRUSA-N 1 0 398.551 3.613 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000254942770 835347610 /nfs/dbraw/zinc/34/76/10/835347610.db2.gz SBTLOUPOZNCSOF-GOSISDBHSA-N 1 0 381.476 3.518 20 30 GHEDRO Cc1ccc(NC(=O)[C@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000254942777 835347645 /nfs/dbraw/zinc/34/76/45/835347645.db2.gz SBTLOUPOZNCSOF-SFHVURJKSA-N 1 0 381.476 3.518 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248170643 835433589 /nfs/dbraw/zinc/43/35/89/835433589.db2.gz JFSKESWRYYTLAZ-MOPGFXCFSA-N 1 0 383.536 3.829 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000658139229 835466705 /nfs/dbraw/zinc/46/67/05/835466705.db2.gz OLAQAPNVCVGTOS-CTNGQTDRSA-N 1 0 383.536 3.515 20 30 GHEDRO CC(C)(C)OC(=O)CCCC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000612121833 835544943 /nfs/dbraw/zinc/54/49/43/835544943.db2.gz PTMSUCBGBHRXFR-IBGZPJMESA-N 1 0 375.488 3.520 20 30 GHEDRO C=CCCC1(CNC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCCC1 ZINC000658298016 835561676 /nfs/dbraw/zinc/56/16/76/835561676.db2.gz VGIRLAAIOJQJGS-HXUWFJFHSA-N 1 0 383.536 3.817 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000612132369 835587680 /nfs/dbraw/zinc/58/76/80/835587680.db2.gz KZVAXEFPHXQKOA-BBTUJRGHSA-N 1 0 395.453 3.867 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)[C@H](C#N)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000433376949 844072018 /nfs/dbraw/zinc/07/20/18/844072018.db2.gz LAKCVPPCPDEPHQ-OIBXWCBGSA-N 1 0 375.516 3.928 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167085023 835673092 /nfs/dbraw/zinc/67/30/92/835673092.db2.gz MKRWUFSPQIYVFS-UHFFFAOYSA-N 1 0 377.810 3.884 20 30 GHEDRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000278690372 835808742 /nfs/dbraw/zinc/80/87/42/835808742.db2.gz HLERWEZLXIOPDX-INIZCTEOSA-N 1 0 381.549 3.555 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CC(C)C ZINC000611812693 835820016 /nfs/dbraw/zinc/82/00/16/835820016.db2.gz GOHXIHOVMZMIHU-RTWAWAEBSA-N 1 0 395.551 3.662 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000179631724 835902535 /nfs/dbraw/zinc/90/25/35/835902535.db2.gz SRWYCCYNTJSYIC-CYBMUJFWSA-N 1 0 387.867 3.827 20 30 GHEDRO C[C@@H](O)C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278784745 835922314 /nfs/dbraw/zinc/92/23/14/835922314.db2.gz ZMIJBNPZSWUQOE-WIYYLYMNSA-N 1 0 389.503 3.503 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000120653760 835952892 /nfs/dbraw/zinc/95/28/92/835952892.db2.gz OTMWAOOYITTXMG-YWZLYKJASA-N 1 0 381.451 3.902 20 30 GHEDRO C=CCCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000893750640 844120035 /nfs/dbraw/zinc/12/00/35/844120035.db2.gz RRYVVSBEOTWIDS-FSSWDIPSSA-N 1 0 380.536 3.669 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000430297691 836091867 /nfs/dbraw/zinc/09/18/67/836091867.db2.gz FYRRUVQLKXGSKI-LJQANCHMSA-N 1 0 393.535 3.562 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584478547 836202065 /nfs/dbraw/zinc/20/20/65/836202065.db2.gz VDKCTIWCGMGFSR-IBGZPJMESA-N 1 0 386.417 3.695 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000375918490 836208091 /nfs/dbraw/zinc/20/80/91/836208091.db2.gz GJPVLQPWMUYRBO-AVRDEDQJSA-N 1 0 386.499 3.582 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000375918495 836208417 /nfs/dbraw/zinc/20/84/17/836208417.db2.gz GJPVLQPWMUYRBO-GCJKJVERSA-N 1 0 386.499 3.582 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)c1 ZINC000187221097 836217731 /nfs/dbraw/zinc/21/77/31/836217731.db2.gz NGXBOQRECYNGPD-JOCHJYFZSA-N 1 0 389.499 3.552 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000043166592 836338046 /nfs/dbraw/zinc/33/80/46/836338046.db2.gz QWPRLVGBWYSZPJ-FQEVSTJZSA-N 1 0 394.544 3.869 20 30 GHEDRO CC(C)(C)N1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000236648831 836338521 /nfs/dbraw/zinc/33/85/21/836338521.db2.gz GLYBUICNIRLIJH-FQEVSTJZSA-N 1 0 377.488 3.626 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccc(C#N)cc1 ZINC000548937290 836371014 /nfs/dbraw/zinc/37/10/14/836371014.db2.gz XYMODWSENSBLJK-NSHDSACASA-N 1 0 387.365 3.743 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000613429742 836377795 /nfs/dbraw/zinc/37/77/95/836377795.db2.gz RVKUOYLGILEUGD-UXHICEINSA-N 1 0 378.520 3.546 20 30 GHEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000179925765 836381544 /nfs/dbraw/zinc/38/15/44/836381544.db2.gz GYKUCHDUNQIZIS-HSZRJFAPSA-N 1 0 391.515 3.635 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000414175692 836408318 /nfs/dbraw/zinc/40/83/18/836408318.db2.gz HQPQEZNNIAIAGV-XJKSGUPXSA-N 1 0 391.284 3.962 20 30 GHEDRO CC(C)[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)N1CCOCC1 ZINC000236691988 836419317 /nfs/dbraw/zinc/41/93/17/836419317.db2.gz YGCJLARCSZFGRV-DEOSSOPVSA-N 1 0 393.531 3.584 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)n1 ZINC000175481313 836546081 /nfs/dbraw/zinc/54/60/81/836546081.db2.gz PZDKQHSTRKVGEC-UHFFFAOYSA-N 1 0 391.500 3.720 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000179999384 836568868 /nfs/dbraw/zinc/56/88/68/836568868.db2.gz FQOBUXIHIFRPSB-VQTJNVASSA-N 1 0 378.432 3.703 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549036079 836598666 /nfs/dbraw/zinc/59/86/66/836598666.db2.gz NMHCVJLDJHUUQA-HXUWFJFHSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCC[C@H](C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000275295633 836609346 /nfs/dbraw/zinc/60/93/46/836609346.db2.gz HFKUFYDULAMOPP-QHCPKHFHSA-N 1 0 383.580 3.753 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549733580 844189631 /nfs/dbraw/zinc/18/96/31/844189631.db2.gz MDXIDZAQHMETGY-FQEVSTJZSA-N 1 0 390.535 3.705 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)CCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510185262 836680224 /nfs/dbraw/zinc/68/02/24/836680224.db2.gz NCHMDEPDGFKOAG-CVDCTZTESA-N 1 0 375.516 3.908 20 30 GHEDRO O=C(Nc1cccc(OCc2cscn2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328658662 836699894 /nfs/dbraw/zinc/69/98/94/836699894.db2.gz RLTJRSNOXGYIHW-GOSISDBHSA-N 1 0 386.521 3.828 20 30 GHEDRO N#Cc1cc(Cl)cnc1N1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001167168699 836770322 /nfs/dbraw/zinc/77/03/22/836770322.db2.gz GXWUGGLBITUHIP-UHFFFAOYSA-N 1 0 388.656 3.621 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c(F)c1 ZINC000413916139 836771281 /nfs/dbraw/zinc/77/12/81/836771281.db2.gz OSPDUPLHJFYRIF-UHFFFAOYSA-N 1 0 383.467 3.845 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCCC1)C(=O)N(C)CCC#N ZINC000433451324 844200386 /nfs/dbraw/zinc/20/03/86/844200386.db2.gz BQFNONXSJVQAQW-OAHLLOKOSA-N 1 0 392.341 3.611 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000658931411 836785646 /nfs/dbraw/zinc/78/56/46/836785646.db2.gz SWKJLJVECGKIQK-VXGBXAGGSA-N 1 0 398.322 3.658 20 30 GHEDRO COCCOc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160664200 836788056 /nfs/dbraw/zinc/78/80/56/836788056.db2.gz CPXCXDGHRZYERW-UHFFFAOYSA-N 1 0 383.370 3.537 20 30 GHEDRO CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612804083 836799390 /nfs/dbraw/zinc/79/93/90/836799390.db2.gz UAFMLEIVUAKYRO-NRFANRHFSA-N 1 0 386.499 3.901 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000066175031 836907030 /nfs/dbraw/zinc/90/70/30/836907030.db2.gz ICOHELRIMNAVMC-JOCHJYFZSA-N 1 0 376.504 3.753 20 30 GHEDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000048269530 836924976 /nfs/dbraw/zinc/92/49/76/836924976.db2.gz ITVIQSNCNFRWFG-UHFFFAOYSA-N 1 0 389.455 3.722 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000118821987 837008012 /nfs/dbraw/zinc/00/80/12/837008012.db2.gz OXNUVGMONZRGOL-IRXDYDNUSA-N 1 0 390.553 3.655 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccccc2)c(C)c(C)c1C ZINC000027070806 837025540 /nfs/dbraw/zinc/02/55/40/837025540.db2.gz XXKOUCFISGCAEV-LJQANCHMSA-O 1 0 397.564 3.915 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)NCCCSC)[n+]2ccc(C)cc2)c1 ZINC000027478808 837053422 /nfs/dbraw/zinc/05/34/22/837053422.db2.gz YSARDPPZQUUKTA-UHFFFAOYSA-O 1 0 389.566 3.573 20 30 GHEDRO C=CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H](C)COC ZINC000664122386 844251076 /nfs/dbraw/zinc/25/10/76/844251076.db2.gz RPHWRUPFMBWLDN-YJBOKZPZSA-N 1 0 399.457 3.512 20 30 GHEDRO N#CCOc1ccc(/C=C/C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000029777237 837256541 /nfs/dbraw/zinc/25/65/41/837256541.db2.gz OGIQTPCOWSSLOF-QPGLYAHGSA-N 1 0 381.501 3.617 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N(CCC#N)CCC(C)C)c(C)c2)CC1 ZINC000176335811 837274104 /nfs/dbraw/zinc/27/41/04/837274104.db2.gz VBFRAZWSCDOXAU-UHFFFAOYSA-N 1 0 385.556 3.931 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000580425705 837343530 /nfs/dbraw/zinc/34/35/30/837343530.db2.gz GUZSCLKVBINEQY-PZJWPPBQSA-N 1 0 390.487 3.695 20 30 GHEDRO C[C@H](O)[C@](C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000188902883 837980510 /nfs/dbraw/zinc/98/05/10/837980510.db2.gz RBUQYITZTKULLZ-CPJSRVTESA-N 1 0 391.559 3.742 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535672280 844292990 /nfs/dbraw/zinc/29/29/90/844292990.db2.gz QQGDSZLAXFXXRB-UWJYYQICSA-N 1 0 385.870 3.702 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000610297264 838200019 /nfs/dbraw/zinc/20/00/19/838200019.db2.gz XKNAQLIFTDGJKW-NRFANRHFSA-N 1 0 379.529 3.524 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610298238 838211916 /nfs/dbraw/zinc/21/19/16/838211916.db2.gz UCRQVGGNKTYKAE-FYYLOGMGSA-N 1 0 391.515 3.695 20 30 GHEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659301892 838237726 /nfs/dbraw/zinc/23/77/26/838237726.db2.gz KWVJPWJEGZCKQZ-UWVGGRQHSA-N 1 0 386.311 3.785 20 30 GHEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659307944 838241485 /nfs/dbraw/zinc/24/14/85/838241485.db2.gz RZTDNJIOFDQMGU-CABZTGNLSA-N 1 0 386.311 3.704 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000415911669 838269480 /nfs/dbraw/zinc/26/94/80/838269480.db2.gz FDXKHSCUDIVVSC-UHFFFAOYSA-N 1 0 393.491 3.574 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000376594906 838408646 /nfs/dbraw/zinc/40/86/46/838408646.db2.gz IRFKYLMUZDNHAI-UHFFFAOYSA-N 1 0 386.858 3.760 20 30 GHEDRO COc1cccc(C[N@H+](Cc2cnc3ccc(C#N)cn23)C2CCC(O)CC2)c1 ZINC000092966713 838430211 /nfs/dbraw/zinc/43/02/11/838430211.db2.gz RBAFOGLKBANORR-UHFFFAOYSA-N 1 0 390.487 3.520 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)ccc1OC ZINC000180172713 838526673 /nfs/dbraw/zinc/52/66/73/838526673.db2.gz GVURCGLCVAKWEL-QGZVFWFLSA-N 1 0 399.457 3.883 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000158055522 844342691 /nfs/dbraw/zinc/34/26/91/844342691.db2.gz NMBHYZUFMVQRRB-UHFFFAOYSA-N 1 0 376.460 3.702 20 30 GHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000610343579 838571396 /nfs/dbraw/zinc/57/13/96/838571396.db2.gz LSZLMPRYHOJBBD-CVEARBPZSA-N 1 0 379.460 3.801 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1ccccc1 ZINC000416135329 838603227 /nfs/dbraw/zinc/60/32/27/838603227.db2.gz KMVGJONFDUNUCM-ZWKOTPCHSA-N 1 0 386.293 3.823 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000275745897 838649768 /nfs/dbraw/zinc/64/97/68/838649768.db2.gz RWJHGJLBFSJAHO-OAHLLOKOSA-N 1 0 396.516 3.720 20 30 GHEDRO CC(C)[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@@H]1CCC(=O)N1 ZINC000414587434 838650133 /nfs/dbraw/zinc/65/01/33/838650133.db2.gz VBEPDABYZOTQJL-NRFANRHFSA-N 1 0 377.488 3.626 20 30 GHEDRO COc1ccc(NC(=S)C(C(=O)c2ccccc2C)[n+]2ccccc2)cn1 ZINC000171063829 838776302 /nfs/dbraw/zinc/77/63/02/838776302.db2.gz SWHFMPRCHSBWJP-UHFFFAOYSA-O 1 0 378.477 3.737 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000177707772 838834437 /nfs/dbraw/zinc/83/44/37/838834437.db2.gz OIDHWBLBPUUSEQ-UHFFFAOYSA-N 1 0 396.466 3.752 20 30 GHEDRO COc1ccc(C2(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)CCOCC2)cc1 ZINC000181570435 838841234 /nfs/dbraw/zinc/84/12/34/838841234.db2.gz KRSSTLWJYOWRQJ-SFHVURJKSA-N 1 0 380.488 3.997 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000580131757 838930047 /nfs/dbraw/zinc/93/00/47/838930047.db2.gz BBFIVHMXDZOBIX-FQEVSTJZSA-N 1 0 388.519 3.627 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C2 ZINC000579474317 839002373 /nfs/dbraw/zinc/00/23/73/839002373.db2.gz QUTGQZZNUQSHNI-VHSSKADRSA-N 1 0 389.425 3.741 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000377115117 839009222 /nfs/dbraw/zinc/00/92/22/839009222.db2.gz RSMJHYAKVXASAZ-MSOLQXFVSA-N 1 0 377.529 3.561 20 30 GHEDRO N#Cc1ccc(NCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000050024083 839019980 /nfs/dbraw/zinc/01/99/80/839019980.db2.gz XQCBYZYYTYBBFC-FQEVSTJZSA-N 1 0 382.895 3.577 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000378409130 839049971 /nfs/dbraw/zinc/04/99/71/839049971.db2.gz LKQSBCAGGIAYEU-SFHVURJKSA-N 1 0 385.899 3.629 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419371044 844394758 /nfs/dbraw/zinc/39/47/58/844394758.db2.gz IJZNSGSGVPABMO-KRWDZBQOSA-N 1 0 388.581 3.683 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000255178839 839062691 /nfs/dbraw/zinc/06/26/91/839062691.db2.gz SHEQINBEECQTDC-LUAWRHEFSA-N 1 0 384.520 3.796 20 30 GHEDRO Cc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)ccc2c[nH+]cn21 ZINC001266582351 839081454 /nfs/dbraw/zinc/08/14/54/839081454.db2.gz KQGYRUBDHIPRBD-UHFFFAOYSA-N 1 0 376.807 3.606 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000050090693 839157355 /nfs/dbraw/zinc/15/73/55/839157355.db2.gz QKOMETOGNSJQFZ-UHFFFAOYSA-N 1 0 384.505 3.662 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415084832 839173726 /nfs/dbraw/zinc/17/37/26/839173726.db2.gz PAIOLNXEDBNGQR-NVXWUHKLSA-N 1 0 394.475 3.808 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000415088400 839188902 /nfs/dbraw/zinc/18/89/02/839188902.db2.gz VAAQWUAYKBMUQZ-KXBFYZLASA-N 1 0 394.475 3.950 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000415088389 839189313 /nfs/dbraw/zinc/18/93/13/839189313.db2.gz VAAQWUAYKBMUQZ-BEFAXECRSA-N 1 0 394.475 3.950 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2SCCc3sccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378484191 839204836 /nfs/dbraw/zinc/20/48/36/839204836.db2.gz UAQSXGYULOEWGY-LJQANCHMSA-N 1 0 397.569 3.753 20 30 GHEDRO COc1ccc(C[C@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000378484807 839205507 /nfs/dbraw/zinc/20/55/07/839205507.db2.gz XFLGRFGSEXBIJO-IBGZPJMESA-N 1 0 391.515 3.548 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000378486850 839208765 /nfs/dbraw/zinc/20/87/65/839208765.db2.gz FAZHNOBRFIKMDI-KKSFZXQISA-N 1 0 393.487 3.590 20 30 GHEDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000415156851 839298329 /nfs/dbraw/zinc/29/83/29/839298329.db2.gz GXPLTZFGINUWHS-KBPBESRZSA-N 1 0 382.489 3.678 20 30 GHEDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415237974 839455555 /nfs/dbraw/zinc/45/55/55/839455555.db2.gz KLAHXXCVDHIBCF-LJQANCHMSA-N 1 0 382.439 3.999 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000415244738 839468549 /nfs/dbraw/zinc/46/85/49/839468549.db2.gz YNSMKVVHBLEOTE-NRFANRHFSA-N 1 0 380.423 3.707 20 30 GHEDRO CCC[C@@H]1CN(C(=O)c2ccc(C#N)c(OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001266608637 839479531 /nfs/dbraw/zinc/47/95/31/839479531.db2.gz LKBOCGKYAPVXBC-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000236749247 839510266 /nfs/dbraw/zinc/51/02/66/839510266.db2.gz OCMCMYQNCYUVSS-UHFFFAOYSA-N 1 0 397.276 3.879 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000580485158 839659249 /nfs/dbraw/zinc/65/92/49/839659249.db2.gz RJJLFXOXABHALP-IRXDYDNUSA-N 1 0 376.508 3.598 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCS[C@H](C)[C@@H]3C)sc2C1 ZINC001167412512 839688452 /nfs/dbraw/zinc/68/84/52/839688452.db2.gz MFXAQRJGWQHJRB-HZSPNIEDSA-N 1 0 377.579 3.899 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000580543207 839776227 /nfs/dbraw/zinc/77/62/27/839776227.db2.gz QNQVBLGMZRFVII-PKOBYXMFSA-N 1 0 396.384 3.915 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000415491778 839851559 /nfs/dbraw/zinc/85/15/59/839851559.db2.gz OPVXCHOQNPKDNC-INIZCTEOSA-N 1 0 379.504 3.813 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000048981791 839906105 /nfs/dbraw/zinc/90/61/05/839906105.db2.gz WBTOHHYTNFKSHO-FQEVSTJZSA-N 1 0 382.895 3.848 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C1CCOCC1 ZINC000580667704 839984109 /nfs/dbraw/zinc/98/41/09/839984109.db2.gz GSLNPBPSPZTSGB-OAQYLSRUSA-N 1 0 394.519 3.699 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC000728307155 840162472 /nfs/dbraw/zinc/16/24/72/840162472.db2.gz OCHHCRLDJWCWQW-UHFFFAOYSA-N 1 0 378.520 3.960 20 30 GHEDRO COc1cc(CCC#N)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC001167434704 840186943 /nfs/dbraw/zinc/18/69/43/840186943.db2.gz SXBPTYNXVWDUFL-UHFFFAOYSA-N 1 0 394.519 3.524 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000068883556 840208692 /nfs/dbraw/zinc/20/86/92/840208692.db2.gz NHONTISXWSSUIC-OAQYLSRUSA-N 1 0 380.467 3.698 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000580833497 840308144 /nfs/dbraw/zinc/30/81/44/840308144.db2.gz RMBYQJJEUGFMCT-UHFFFAOYSA-N 1 0 388.585 3.844 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3cc(/C=N/O)cc(C(F)(F)F)c3)cc2)CC1 ZINC001167437330 840357819 /nfs/dbraw/zinc/35/78/19/840357819.db2.gz QOCHKQWAEVXPBO-AFUMVMLFSA-N 1 0 392.425 3.877 20 30 GHEDRO CCCCCCCS(=O)(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000195083697 840400554 /nfs/dbraw/zinc/40/05/54/840400554.db2.gz XQRZPWIJBXGUDS-IBGZPJMESA-N 1 0 394.581 3.864 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511717366 840564156 /nfs/dbraw/zinc/56/41/56/840564156.db2.gz WZTZTQNHYNRYSL-AVRDEDQJSA-N 1 0 391.515 3.742 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000613750295 840648152 /nfs/dbraw/zinc/64/81/52/840648152.db2.gz XOKUWRFPVFNUQX-GOSISDBHSA-N 1 0 386.442 3.650 20 30 GHEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000046955676 844576105 /nfs/dbraw/zinc/57/61/05/844576105.db2.gz NIDZKBNWJWHVOL-HXUWFJFHSA-N 1 0 392.503 3.795 20 30 GHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000581246197 840936532 /nfs/dbraw/zinc/93/65/32/840936532.db2.gz LKNZAIDRDUJILR-KBXCAEBGSA-N 1 0 378.394 3.538 20 30 GHEDRO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000156961275 840939084 /nfs/dbraw/zinc/93/90/84/840939084.db2.gz LLZHTZYMCLARKJ-FXAWDEMLSA-N 1 0 396.560 3.933 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCC3CCOCC3)sc2C1 ZINC000120609622 844592193 /nfs/dbraw/zinc/59/21/93/844592193.db2.gz VBSYUARBTFICGR-OAHLLOKOSA-N 1 0 389.565 3.822 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000511859541 841010697 /nfs/dbraw/zinc/01/06/97/841010697.db2.gz MKSURCFZFDKECD-YQVWRLOYSA-N 1 0 379.426 3.740 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000581285765 841011508 /nfs/dbraw/zinc/01/15/08/841011508.db2.gz KDVYSTONVUCLJY-QGZVFWFLSA-N 1 0 385.467 3.938 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478201 841146128 /nfs/dbraw/zinc/14/61/28/841146128.db2.gz VHRKXZOQUVJDAY-ZLGUVYLKSA-N 1 0 393.522 3.891 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000558453178 841162231 /nfs/dbraw/zinc/16/22/31/841162231.db2.gz YQFCGKQBZGJOFW-IBGZPJMESA-N 1 0 388.519 3.627 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478828 841198149 /nfs/dbraw/zinc/19/81/49/841198149.db2.gz ZVTYHPYAYHFJSB-NDXORKPFSA-N 1 0 391.506 3.667 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc2c(c1)CCCC2 ZINC000027057881 841202209 /nfs/dbraw/zinc/20/22/09/841202209.db2.gz CIKBBUFMEYXBFP-UHFFFAOYSA-O 1 0 393.532 3.502 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510424358 841359686 /nfs/dbraw/zinc/35/96/86/841359686.db2.gz KFXSASFKJGKCTG-MJGOQNOKSA-N 1 0 394.544 3.948 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCCC2)C(=S)NCCOC ZINC000027307800 841370638 /nfs/dbraw/zinc/37/06/38/841370638.db2.gz KMBLKHWSGRVKRJ-UHFFFAOYSA-O 1 0 397.564 3.590 20 30 GHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)C1 ZINC000651692198 841375948 /nfs/dbraw/zinc/37/59/48/841375948.db2.gz XWLIDNOMSYVTLN-HKUYNNGSSA-N 1 0 376.566 3.783 20 30 GHEDRO COCCNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1ccccc1 ZINC000027306373 841377649 /nfs/dbraw/zinc/37/76/49/841377649.db2.gz DGNKWBOWJAOPOA-UHFFFAOYSA-O 1 0 385.534 3.672 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)c1 ZINC000027305305 841378040 /nfs/dbraw/zinc/37/80/40/841378040.db2.gz YAZZUAHPFPKODD-UHFFFAOYSA-O 1 0 391.516 3.754 20 30 GHEDRO CC(=O)Nc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)cc1 ZINC000027328988 841383147 /nfs/dbraw/zinc/38/31/47/841383147.db2.gz DFRRQQPZUSKTBL-UHFFFAOYSA-O 1 0 396.536 3.794 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(OC)c(C#N)c3)C2)cc(OC)c1 ZINC000135213786 841383569 /nfs/dbraw/zinc/38/35/69/841383569.db2.gz BHOOLRQGEMQIAJ-SFHVURJKSA-N 1 0 381.476 3.661 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000661115737 841410031 /nfs/dbraw/zinc/41/00/31/841410031.db2.gz DRSJESHLGPVOKP-RDJZCZTQSA-N 1 0 388.512 3.832 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000566574775 841502261 /nfs/dbraw/zinc/50/22/61/841502261.db2.gz PWWWOVYTLBJHRS-FQEVSTJZSA-N 1 0 392.551 3.785 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000593760842 861208088 /nfs/dbraw/zinc/20/80/88/861208088.db2.gz GVNPRWYZQRMYRO-UHFFFAOYSA-N 1 0 380.448 3.610 20 30 GHEDRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000418145803 841567101 /nfs/dbraw/zinc/56/71/01/841567101.db2.gz ODGPWAKBQVYCOZ-FQEVSTJZSA-N 1 0 398.503 3.577 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000329260225 861216388 /nfs/dbraw/zinc/21/63/88/861216388.db2.gz YWZPOMZNVNOXOQ-KBWCOIMZSA-N 1 0 396.535 3.722 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000581544117 841638252 /nfs/dbraw/zinc/63/82/52/841638252.db2.gz KJLOABWNKFIUBG-PZJWPPBQSA-N 1 0 375.472 3.825 20 30 GHEDRO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000651822541 841662291 /nfs/dbraw/zinc/66/22/91/841662291.db2.gz AXDSXSXBHQMYRY-UHFFFAOYSA-N 1 0 389.565 3.532 20 30 GHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000656690832 841815940 /nfs/dbraw/zinc/81/59/40/841815940.db2.gz MZHQHJIOJFIBRB-INIZCTEOSA-N 1 0 380.945 3.578 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418321628 841826113 /nfs/dbraw/zinc/82/61/13/841826113.db2.gz BDFCEYQAMRKABJ-UHFFFAOYSA-N 1 0 378.929 3.674 20 30 GHEDRO Cc1oc(NC(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c(C#N)c1C ZINC000051132672 841850226 /nfs/dbraw/zinc/85/02/26/841850226.db2.gz HRLJWFQYNLLFCI-WIYYLYMNSA-N 1 0 381.476 3.806 20 30 GHEDRO CC[C@@H](C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000566642657 841850235 /nfs/dbraw/zinc/85/02/35/841850235.db2.gz LHHWOMKUSDYTEW-KUHUBIRLSA-N 1 0 391.924 3.757 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C[NH+]1CCCCC1 ZINC000603831197 861243978 /nfs/dbraw/zinc/24/39/78/861243978.db2.gz VSOCZBBSMNCRLE-KRWDZBQOSA-N 1 0 393.491 3.989 20 30 GHEDRO C=CCCC1(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCCC1 ZINC000661530276 841852534 /nfs/dbraw/zinc/85/25/34/841852534.db2.gz RXSDTHKNJVLOEC-UHFFFAOYSA-N 1 0 377.573 3.799 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000329287818 861248509 /nfs/dbraw/zinc/24/85/09/861248509.db2.gz MOAAFFKPORFBHO-CXAGYDPISA-N 1 0 396.318 3.791 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000160987417 841932509 /nfs/dbraw/zinc/93/25/09/841932509.db2.gz PFFMUDOKISGHEU-LJQANCHMSA-N 1 0 376.500 3.962 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610530944 842070175 /nfs/dbraw/zinc/07/01/75/842070175.db2.gz HYUYOVDAYDGBKP-FGSXEWAUSA-N 1 0 376.504 3.829 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CC2 ZINC000329312204 861276096 /nfs/dbraw/zinc/27/60/96/861276096.db2.gz GKPWPIOENMBCRK-SMDDNHRTSA-N 1 0 382.430 3.516 20 30 GHEDRO Cc1c(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)cnn1CCC#N ZINC000891463123 842155752 /nfs/dbraw/zinc/15/57/52/842155752.db2.gz ZXINIPBYMYQAGC-UHFFFAOYSA-N 1 0 399.926 3.891 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1OC ZINC000759959653 842296604 /nfs/dbraw/zinc/29/66/04/842296604.db2.gz ZTFNAEDWUFDESX-JIOUWNFXSA-N 1 0 392.499 3.835 20 30 GHEDRO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@H]1COCCN1C1CCCC1 ZINC000329337397 861299122 /nfs/dbraw/zinc/29/91/22/861299122.db2.gz MMIAOFIAGZMCID-RCCFBDPRSA-N 1 0 380.435 3.744 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000555593082 861314178 /nfs/dbraw/zinc/31/41/78/861314178.db2.gz QEZUROCRYUFCHO-CABCVRRESA-N 1 0 377.423 3.561 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC)[NH+]2CCCC2)c1 ZINC000050108063 842523980 /nfs/dbraw/zinc/52/39/80/842523980.db2.gz WZHYGMQPRXBUQU-FQEVSTJZSA-N 1 0 394.475 3.534 20 30 GHEDRO O=C(N1CCC[C@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1)C(F)(F)C(F)F ZINC001273096793 861321086 /nfs/dbraw/zinc/32/10/86/861321086.db2.gz XWIOITNFRSKDGK-AWEZNQCLSA-N 1 0 392.359 3.934 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)no1 ZINC000329360233 861325303 /nfs/dbraw/zinc/32/53/03/861325303.db2.gz GUAVJOFMUKRVRO-VQTJNVASSA-N 1 0 397.523 3.902 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000282427986 861329496 /nfs/dbraw/zinc/32/94/96/861329496.db2.gz YKFYUMFBEXKNFY-HXUWFJFHSA-N 1 0 394.567 3.542 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000107527247 842650535 /nfs/dbraw/zinc/65/05/35/842650535.db2.gz CYNRJJXWONSDRN-IBGZPJMESA-N 1 0 393.487 3.821 20 30 GHEDRO C[C@@H](N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)cc1Cl ZINC000571477971 842719712 /nfs/dbraw/zinc/71/97/12/842719712.db2.gz VTAVGVOZZBQHTK-VGSWGCGISA-N 1 0 382.939 3.851 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccccn1 ZINC000161086855 842809394 /nfs/dbraw/zinc/80/93/94/842809394.db2.gz GQJCYKWFCIQRKQ-HNNXBMFYSA-N 1 0 382.533 3.990 20 30 GHEDRO C=CCn1c(SCCN2CCO[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000188246843 842847132 /nfs/dbraw/zinc/84/71/32/842847132.db2.gz DSDMBWMLMXZBNO-AWEZNQCLSA-N 1 0 378.929 3.597 20 30 GHEDRO COc1ccc(CCC[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279340235 843014383 /nfs/dbraw/zinc/01/43/83/843014383.db2.gz DXVIVSACOHBNMH-UHFFFAOYSA-N 1 0 389.503 3.932 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000512199041 843050784 /nfs/dbraw/zinc/05/07/84/843050784.db2.gz CRFDITYIEJFOAV-MRXNPFEDSA-N 1 0 383.410 3.772 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590598 861373943 /nfs/dbraw/zinc/37/39/43/861373943.db2.gz QEAHCMQMWWXHMS-OXQOHEQNSA-N 1 0 394.519 3.758 20 30 GHEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(OC)cc1 ZINC000279439119 843056576 /nfs/dbraw/zinc/05/65/76/843056576.db2.gz RGPSZTMVVLKFLW-UHFFFAOYSA-N 1 0 375.476 3.889 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C)c1C#N ZINC000481431389 861376415 /nfs/dbraw/zinc/37/64/15/861376415.db2.gz CUAIDNAPUXDSJB-LJQANCHMSA-N 1 0 388.556 3.759 20 30 GHEDRO COc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(C)c2)cn1 ZINC000171063808 861376581 /nfs/dbraw/zinc/37/65/81/861376581.db2.gz FSWXXIARPIJQRK-UHFFFAOYSA-O 1 0 378.477 3.737 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)Nc1ccc(OC)nc1 ZINC000171063794 861376643 /nfs/dbraw/zinc/37/66/43/861376643.db2.gz PFQPSSFKKXUCKW-UHFFFAOYSA-O 1 0 392.504 3.991 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c(-c2ccncc2)n1 ZINC000279490959 843079664 /nfs/dbraw/zinc/07/96/64/843079664.db2.gz YAGSEDRELDZQRS-UHFFFAOYSA-N 1 0 387.487 3.944 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279577173 843142981 /nfs/dbraw/zinc/14/29/81/843142981.db2.gz RYXQAVKBGRPZGB-UHFFFAOYSA-N 1 0 392.503 3.655 20 30 GHEDRO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000328956267 843179995 /nfs/dbraw/zinc/17/99/95/843179995.db2.gz ZDXSQTRZGXNBAC-NRFANRHFSA-N 1 0 379.504 3.905 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243200 843193622 /nfs/dbraw/zinc/19/36/22/843193622.db2.gz JXWSRXYIKNMIJO-XMMPIXPASA-N 1 0 391.515 3.544 20 30 GHEDRO [NH2+]=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)Nc1cccc(Oc2ccccc2)c1 ZINC000261602098 843307332 /nfs/dbraw/zinc/30/73/32/843307332.db2.gz BZPOLIIHXGZGLE-UWJYYQICSA-N 1 0 395.503 3.773 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662518650 843385404 /nfs/dbraw/zinc/38/54/04/843385404.db2.gz HIBCQCVAFDPGDZ-GXFFZTMASA-N 1 0 398.322 3.800 20 30 GHEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662558360 843402558 /nfs/dbraw/zinc/40/25/58/843402558.db2.gz VICLGRHHXUNTAR-BXKDBHETSA-N 1 0 386.311 3.704 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000418653121 843512910 /nfs/dbraw/zinc/51/29/10/843512910.db2.gz NZLKXCVYQQQLCV-OAQYLSRUSA-N 1 0 383.540 3.814 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599633728 861426094 /nfs/dbraw/zinc/42/60/94/861426094.db2.gz INBADDKQNLLFIO-UHFFFAOYSA-N 1 0 381.451 3.630 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000610680940 843529230 /nfs/dbraw/zinc/52/92/30/843529230.db2.gz MOPMISGIVKVCIX-NRFANRHFSA-N 1 0 380.463 3.811 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC000609473246 843636869 /nfs/dbraw/zinc/63/68/69/843636869.db2.gz MHTAXUFINLRMKB-UHFFFAOYSA-N 1 0 396.516 3.656 20 30 GHEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000512428791 843764451 /nfs/dbraw/zinc/76/44/51/843764451.db2.gz ZFCUBLBBGBJBGD-FUHWJXTLSA-N 1 0 377.916 3.602 20 30 GHEDRO Cc1cc(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000603963569 861455674 /nfs/dbraw/zinc/45/56/74/861455674.db2.gz RHPIYSKWCIZZIY-KRWDZBQOSA-N 1 0 399.922 3.878 20 30 GHEDRO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000512449307 843832081 /nfs/dbraw/zinc/83/20/81/843832081.db2.gz FHNQOOJPGGOKFK-ICSRJNTNSA-N 1 0 396.535 3.508 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)c(F)c1 ZINC000512842752 843865304 /nfs/dbraw/zinc/86/53/04/843865304.db2.gz BULGCRLCAGFNDS-UHFFFAOYSA-N 1 0 376.435 3.926 20 30 GHEDRO C[C@H]1CN([C@H](C[NH2+]Cc2ccc(C#N)cc2)c2c(F)cccc2Cl)CCO1 ZINC000512838640 843874787 /nfs/dbraw/zinc/87/47/87/843874787.db2.gz GRLAYMIPWBYOCS-MGPUTAFESA-N 1 0 387.886 3.902 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CCC)CC1 ZINC000549670148 843875925 /nfs/dbraw/zinc/87/59/25/843875925.db2.gz WBUWPKVQHXDZCU-UHFFFAOYSA-N 1 0 389.931 3.619 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000731112900 861473311 /nfs/dbraw/zinc/47/33/11/861473311.db2.gz QKPXSYMHOKJXLL-UHFFFAOYSA-N 1 0 385.895 3.948 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000731112951 861473330 /nfs/dbraw/zinc/47/33/30/861473330.db2.gz GEKNYYONLWQIPN-QFIPXVFZSA-N 1 0 377.488 3.966 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000731114808 861475737 /nfs/dbraw/zinc/47/57/37/861475737.db2.gz ODEOQWVFXCRMGS-JOCHJYFZSA-N 1 0 393.487 3.666 20 30 GHEDRO N#Cc1cccc(C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC000509841819 843963599 /nfs/dbraw/zinc/96/35/99/843963599.db2.gz ZRHSTZAERVZXDX-UHFFFAOYSA-N 1 0 397.906 3.808 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000512479858 843964720 /nfs/dbraw/zinc/96/47/20/843964720.db2.gz JGZSXXSWLDRIKF-UHFFFAOYSA-N 1 0 394.482 3.614 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000512922670 843989584 /nfs/dbraw/zinc/98/95/84/843989584.db2.gz LBKNRDHDPXTDIL-JOCHJYFZSA-N 1 0 394.519 3.790 20 30 GHEDRO NC(=NOCc1noc(-c2cccs2)n1)c1ccccc1C[NH+]1CCCCC1 ZINC000067099147 844657147 /nfs/dbraw/zinc/65/71/47/844657147.db2.gz CQOOKBBUMOOALY-UHFFFAOYSA-N 1 0 397.504 3.621 20 30 GHEDRO Cc1ccc(C[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccn2)cc1 ZINC000573764002 844663614 /nfs/dbraw/zinc/66/36/14/844663614.db2.gz UWSXAJVHGIQESW-XUZZJYLKSA-N 1 0 387.483 3.575 20 30 GHEDRO Cc1cccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000731149374 861489219 /nfs/dbraw/zinc/48/92/19/861489219.db2.gz XMBPVSWBXKKCIL-UHFFFAOYSA-N 1 0 380.561 3.766 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000176196279 844818381 /nfs/dbraw/zinc/81/83/81/844818381.db2.gz LWRJLMAOBLSVPK-QHCPKHFHSA-N 1 0 390.508 3.906 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000413422103 844885697 /nfs/dbraw/zinc/88/56/97/844885697.db2.gz CINSTNRUEOOIRL-OAQYLSRUSA-N 1 0 378.520 3.785 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000563598629 844982268 /nfs/dbraw/zinc/98/22/68/844982268.db2.gz PJNQCDCVORWWON-UHFFFAOYSA-N 1 0 397.567 3.882 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000433042396 845047070 /nfs/dbraw/zinc/04/70/70/845047070.db2.gz XRJUDOXQBSADCN-NZQKXSOJSA-N 1 0 390.531 3.654 20 30 GHEDRO CC[N@H+](Cc1ccnc(C#N)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000610994441 845095429 /nfs/dbraw/zinc/09/54/29/845095429.db2.gz CUDOMQJJTDUFKG-UHFFFAOYSA-N 1 0 378.524 3.666 20 30 GHEDRO CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C(C)C ZINC000512802701 845566695 /nfs/dbraw/zinc/56/66/95/845566695.db2.gz WCILMRPVGVSYLK-MRXNPFEDSA-N 1 0 375.488 3.574 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000119565243 845576966 /nfs/dbraw/zinc/57/69/66/845576966.db2.gz LTOKHNOASBEOHE-QGZVFWFLSA-N 1 0 386.515 3.883 20 30 GHEDRO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812198 845618997 /nfs/dbraw/zinc/61/89/97/845618997.db2.gz QSVURJAAXYQZLH-IXDOHACOSA-N 1 0 387.499 3.719 20 30 GHEDRO CCn1nc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccccc21 ZINC000472069610 845698898 /nfs/dbraw/zinc/69/88/98/845698898.db2.gz KNJVABXVDDSDKW-QGZVFWFLSA-N 1 0 377.467 3.826 20 30 GHEDRO C[NH+](C)CC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000511041111 845846877 /nfs/dbraw/zinc/84/68/77/845846877.db2.gz VBGLYISQLYMSGE-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502548691 846189320 /nfs/dbraw/zinc/18/93/20/846189320.db2.gz WNIRYFBGSURLAS-NRFANRHFSA-N 1 0 386.879 3.590 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)nn1 ZINC000657327716 846262090 /nfs/dbraw/zinc/26/20/90/846262090.db2.gz MURRGUQJAZOPIN-UHFFFAOYSA-N 1 0 394.441 3.711 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2C#N)[NH+]2CCCC2)cc1 ZINC000119813799 846328309 /nfs/dbraw/zinc/32/83/09/846328309.db2.gz HLIQNHZMWDXZJK-HXUWFJFHSA-N 1 0 382.439 3.665 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc(C#N)c1 ZINC000551374860 846352324 /nfs/dbraw/zinc/35/23/24/846352324.db2.gz PYGDYSJAASLDJX-NPMXOYFQSA-N 1 0 388.471 3.634 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183157574 846419929 /nfs/dbraw/zinc/41/99/29/846419929.db2.gz DWXDBXPWNGJPLI-CABCVRRESA-N 1 0 391.475 3.940 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CCC([NH+](C)C)CC2)cc1C ZINC000421680647 846483521 /nfs/dbraw/zinc/48/35/21/846483521.db2.gz SXYASNSINLPUEW-UHFFFAOYSA-N 1 0 393.535 3.683 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000280651884 846490526 /nfs/dbraw/zinc/49/05/26/846490526.db2.gz WFVLBZCNRIHWAE-UHFFFAOYSA-O 1 0 382.553 3.683 20 30 GHEDRO CCc1cc(Br)cc2sc(NC(=O)[C@H]([NH3+])CCCC#N)nc21 ZINC000582179937 846593543 /nfs/dbraw/zinc/59/35/43/846593543.db2.gz KEZUEOPPGQJVPO-LLVKDONJSA-N 1 0 381.299 3.581 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502971628 846658133 /nfs/dbraw/zinc/65/81/33/846658133.db2.gz LOSLKFNPGNUAMF-HNNXBMFYSA-N 1 0 396.491 3.836 20 30 GHEDRO COc1cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c(F)cc1C#N ZINC000599812942 861708229 /nfs/dbraw/zinc/70/82/29/861708229.db2.gz WIRYMUFIXRTSDN-VLIAUNLRSA-N 1 0 384.455 3.827 20 30 GHEDRO C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000329589517 861715705 /nfs/dbraw/zinc/71/57/05/861715705.db2.gz ZKDGEUFYTNAHCG-BRKWEVRTSA-N 1 0 385.552 3.751 20 30 GHEDRO COc1cc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(F)cc1C#N ZINC000599817352 861718759 /nfs/dbraw/zinc/71/87/59/861718759.db2.gz KRBJWZDPLZYRTR-GASCZTMLSA-N 1 0 376.476 3.586 20 30 GHEDRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c(F)cc1C#N ZINC000599817576 861721840 /nfs/dbraw/zinc/72/18/40/861721840.db2.gz PAOMNPWWPYACCL-UHFFFAOYSA-N 1 0 384.455 3.610 20 30 GHEDRO CC1(C#N)CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000272607366 847123757 /nfs/dbraw/zinc/12/37/57/847123757.db2.gz RTBNIEWKOZIKEU-KRWDZBQOSA-N 1 0 379.426 3.822 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)[NH+]1CCCCC1 ZINC000272636993 847131299 /nfs/dbraw/zinc/13/12/99/847131299.db2.gz YQNDCJKPVQUJPJ-LJQANCHMSA-N 1 0 384.524 3.557 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431405162 847187124 /nfs/dbraw/zinc/18/71/24/847187124.db2.gz WJQVQFXEAHIPGF-QFBILLFUSA-N 1 0 378.476 3.741 20 30 GHEDRO [NH2+]=C(NCc1cc(F)c(C(F)(F)F)cc1F)N[C@@H]1CCOc2ccccc21 ZINC000262303291 861767730 /nfs/dbraw/zinc/76/77/30/861767730.db2.gz LJCAXTWMAWEBTL-OAHLLOKOSA-N 1 0 385.336 3.912 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000183336144 847295872 /nfs/dbraw/zinc/29/58/72/847295872.db2.gz NBJDYPMWWNRBFW-UYAOXDASSA-N 1 0 375.472 3.907 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000329614656 861776987 /nfs/dbraw/zinc/77/69/87/861776987.db2.gz PHRDWRBUCUQMFU-UHFFFAOYSA-N 1 0 387.524 3.532 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](CCO)CC3)sc2C1 ZINC000421013327 847610777 /nfs/dbraw/zinc/61/07/77/847610777.db2.gz JGFQHIFSXIFMCW-JKSUJKDBSA-N 1 0 389.565 3.558 20 30 GHEDRO C=CCCC1(CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCCC1 ZINC000664324253 847764089 /nfs/dbraw/zinc/76/40/89/847764089.db2.gz XSDJZZIREJPZJU-UHFFFAOYSA-N 1 0 399.579 3.969 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(CC)c2)cc1Cl ZINC000414503123 847826534 /nfs/dbraw/zinc/82/65/34/847826534.db2.gz HXTCJPDZTCWJRT-OXJNMPFZSA-N 1 0 375.900 3.989 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000503610505 847830609 /nfs/dbraw/zinc/83/06/09/847830609.db2.gz PFNPQPVAQCHCFC-UHFFFAOYSA-N 1 0 390.487 3.820 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCC#N ZINC000502421139 847878759 /nfs/dbraw/zinc/87/87/59/847878759.db2.gz WARMURBRWYAFEP-UHFFFAOYSA-N 1 0 388.364 3.921 20 30 GHEDRO C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC12CCCCC2 ZINC000329633969 861853684 /nfs/dbraw/zinc/85/36/84/861853684.db2.gz STIXXNBPKTXCFV-RLLQIKCJSA-N 1 0 377.573 3.571 20 30 GHEDRO CCc1nc(C#N)cc(N(c2cc(OC)cc3cccnc32)[C@@H](C)CCC[NH3+])n1 ZINC001167611283 848300467 /nfs/dbraw/zinc/30/04/67/848300467.db2.gz KXHTWZRYKJEQGQ-HNNXBMFYSA-N 1 0 390.491 3.733 20 30 GHEDRO Cc1cc(Cl)cnc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000329640179 861890189 /nfs/dbraw/zinc/89/01/89/861890189.db2.gz WZWNOVHJRFZZFK-HZPDHXFCSA-N 1 0 394.947 3.800 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000180044332 861921384 /nfs/dbraw/zinc/92/13/84/861921384.db2.gz CNRJUJWDBPLATQ-OAQYLSRUSA-N 1 0 393.531 3.964 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C#N)cc1 ZINC000048825990 848663676 /nfs/dbraw/zinc/66/36/76/848663676.db2.gz IKZZTSRJCHOIDP-SFHVURJKSA-N 1 0 376.504 3.932 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000582993096 848839818 /nfs/dbraw/zinc/83/98/18/848839818.db2.gz PSLHHIVDTBWZJD-LJQANCHMSA-N 1 0 388.519 3.627 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(Br)c2C)CC1 ZINC000566430587 848919374 /nfs/dbraw/zinc/91/93/74/848919374.db2.gz FEHKJIULDJPSEU-UHFFFAOYSA-N 1 0 380.330 3.597 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000481655033 861958545 /nfs/dbraw/zinc/95/85/45/861958545.db2.gz WAVOASCLODRJGD-ZKMPZPQNSA-N 1 0 389.543 3.798 20 30 GHEDRO N#CCOc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000731960805 861980008 /nfs/dbraw/zinc/98/00/08/861980008.db2.gz FFCIACOWFAPWBL-NRFANRHFSA-N 1 0 397.906 3.738 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(C#N)cc2F)CC1 ZINC000178789053 849139783 /nfs/dbraw/zinc/13/97/83/849139783.db2.gz JFFLYWPMKYQYQS-INIZCTEOSA-N 1 0 384.474 3.829 20 30 GHEDRO Cc1cc(NC(=O)c2cccc(F)c2C#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481665144 861993078 /nfs/dbraw/zinc/99/30/78/861993078.db2.gz ZRIIYMPGHKXRBL-UHFFFAOYSA-N 1 0 380.467 3.789 20 30 GHEDRO CC[NH+]1CCN(Cc2ccccc2CNc2nc(C)c(C#N)cc2Cl)CC1 ZINC000461765149 861994368 /nfs/dbraw/zinc/99/43/68/861994368.db2.gz DFDISPMQFMVBJO-UHFFFAOYSA-N 1 0 383.927 3.665 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000604276910 862058074 /nfs/dbraw/zinc/05/80/74/862058074.db2.gz YJQZHIYFHSTYDX-BETUJISGSA-N 1 0 393.331 3.950 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1Cl ZINC000435015241 849992620 /nfs/dbraw/zinc/99/26/20/849992620.db2.gz GQNCJPXXVABNQQ-UHFFFAOYSA-N 1 0 383.879 3.822 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435037071 850001267 /nfs/dbraw/zinc/00/12/67/850001267.db2.gz VIDPHPQLULMEDJ-UHFFFAOYSA-N 1 0 391.515 3.627 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000514579769 850020262 /nfs/dbraw/zinc/02/02/62/850020262.db2.gz JNHHNPAMXJWSIY-YPAWHYETSA-N 1 0 382.552 3.990 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1Oc1ccccc1 ZINC000514589383 850029863 /nfs/dbraw/zinc/02/98/63/850029863.db2.gz OXLIXSAVEOQBGY-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000504549979 850142039 /nfs/dbraw/zinc/14/20/39/850142039.db2.gz XLZUEBDDFJFRSY-QFIPXVFZSA-N 1 0 385.508 3.525 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000424077113 850189679 /nfs/dbraw/zinc/18/96/79/850189679.db2.gz NOVSVYGWSJVYPO-GFCCVEGCSA-N 1 0 379.283 3.532 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000424112441 850226084 /nfs/dbraw/zinc/22/60/84/850226084.db2.gz JRUOVVABMYPOHD-RTWAWAEBSA-N 1 0 390.487 3.624 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000424119682 850233218 /nfs/dbraw/zinc/23/32/18/850233218.db2.gz GBSICQJKBNEXIB-QGZVFWFLSA-N 1 0 392.341 3.788 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC000424123186 850236950 /nfs/dbraw/zinc/23/69/50/850236950.db2.gz KHWIRHDXTAYPAJ-KRWDZBQOSA-N 1 0 399.882 3.621 20 30 GHEDRO CSc1cccc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2ccc(F)c(F)c2)c1 ZINC000424126238 850239732 /nfs/dbraw/zinc/23/97/32/850239732.db2.gz OXXXTLLXNDCOHA-OALUTQOASA-N 1 0 389.471 3.913 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424148271 850249726 /nfs/dbraw/zinc/24/97/26/850249726.db2.gz ZURNPBVZPVXLQQ-XHDPSFHLSA-N 1 0 376.913 3.970 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424131492 850256979 /nfs/dbraw/zinc/25/69/79/850256979.db2.gz WCVFNHCKFYSQOS-PMACEKPBSA-N 1 0 397.592 3.991 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000504743339 850280261 /nfs/dbraw/zinc/28/02/61/850280261.db2.gz VNBZLLMIIVQQBR-QHCPKHFHSA-N 1 0 389.499 3.593 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000505646348 850290920 /nfs/dbraw/zinc/29/09/20/850290920.db2.gz OKVQRYRNNVCGCV-UHFFFAOYSA-N 1 0 385.552 3.618 20 30 GHEDRO CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518895660 850293261 /nfs/dbraw/zinc/29/32/61/850293261.db2.gz DMCNRCPCBKWYIF-HXUWFJFHSA-N 1 0 375.472 3.854 20 30 GHEDRO C=CCn1c(-c2cccnn2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000908705854 850295268 /nfs/dbraw/zinc/29/52/68/850295268.db2.gz GGRRFKPSIUKDQW-UHFFFAOYSA-N 1 0 397.571 3.506 20 30 GHEDRO C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424222041 850296815 /nfs/dbraw/zinc/29/68/15/850296815.db2.gz LWFMJJHNWSOUDC-LEWJYISDSA-N 1 0 377.536 3.832 20 30 GHEDRO Cc1sc(NC(=O)CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000426467270 850306228 /nfs/dbraw/zinc/30/62/28/850306228.db2.gz INUBYNMHEBHFAY-LJQANCHMSA-N 1 0 396.560 3.772 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000424239397 850306500 /nfs/dbraw/zinc/30/65/00/850306500.db2.gz HHLWYNSMAYFYOC-LJQANCHMSA-N 1 0 383.565 3.745 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000424247054 850310662 /nfs/dbraw/zinc/31/06/62/850310662.db2.gz MVLBAAITFXPVPF-SFHVURJKSA-N 1 0 375.586 3.877 20 30 GHEDRO C=CCc1cc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc(OC)c1O ZINC000435394882 850463133 /nfs/dbraw/zinc/46/31/33/850463133.db2.gz PMYVSDOHFMAUSS-NRFANRHFSA-N 1 0 381.520 3.669 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000518991542 850474928 /nfs/dbraw/zinc/47/49/28/850474928.db2.gz QGOBKOZALLJGOW-XMMPIXPASA-N 1 0 392.499 3.907 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc(C#N)s2)CCCC1)c1ccccc1 ZINC000435439720 850528318 /nfs/dbraw/zinc/52/83/18/850528318.db2.gz WQWKJTQBEHBYER-OAHLLOKOSA-N 1 0 389.546 3.562 20 30 GHEDRO C=CCC1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCOCC1 ZINC000424583234 850537265 /nfs/dbraw/zinc/53/72/65/850537265.db2.gz LFAMJSJMVLXBTJ-LJQANCHMSA-N 1 0 376.928 3.966 20 30 GHEDRO CC[C@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)OCCc2ccccc21 ZINC000515021297 850583303 /nfs/dbraw/zinc/58/33/03/850583303.db2.gz VUNXYPLMUMIRLS-RUZDIDTESA-N 1 0 389.543 3.990 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2=O)cc1 ZINC000487547833 850715281 /nfs/dbraw/zinc/71/52/81/850715281.db2.gz ADVDOYWIZSBDFH-QGZVFWFLSA-N 1 0 378.457 3.560 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)CC[N@@H+]1C ZINC000329707339 862163715 /nfs/dbraw/zinc/16/37/15/862163715.db2.gz LNSAPGFYHIPBQD-HSSOGYSNSA-N 1 0 386.471 3.528 20 30 GHEDRO C=CCC[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000435760038 850854397 /nfs/dbraw/zinc/85/43/97/850854397.db2.gz ATYCYQQQIHAEKD-UPVQGACJSA-N 1 0 393.531 3.630 20 30 GHEDRO C=C(CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000505366094 850869938 /nfs/dbraw/zinc/86/99/38/850869938.db2.gz JZAWODTYPPLKNH-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000604445608 862185951 /nfs/dbraw/zinc/18/59/51/862185951.db2.gz LOFBMRPAIQEOPI-RTBURBONSA-N 1 0 390.531 3.764 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1cccc(F)c1C#N)[NH+]1CCCCC1 ZINC000426618979 850975700 /nfs/dbraw/zinc/97/57/00/850975700.db2.gz OBMPFCFJATUNGW-FQEVSTJZSA-N 1 0 381.451 3.663 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508450419 862191592 /nfs/dbraw/zinc/19/15/92/862191592.db2.gz YZZPNDXOEXUGLT-NRFANRHFSA-N 1 0 379.504 3.667 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(C)(C)O1 ZINC000140742095 851070123 /nfs/dbraw/zinc/07/01/23/851070123.db2.gz LEWSXGRGKHFCOX-CQSZACIVSA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)s1 ZINC000435998974 851093870 /nfs/dbraw/zinc/09/38/70/851093870.db2.gz XMAOJQVIFNANRP-GXSJLCMTSA-N 1 0 396.335 3.900 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000440384466 851109049 /nfs/dbraw/zinc/10/90/49/851109049.db2.gz WNJJUFOTDHWOCM-NOZRDPDXSA-N 1 0 387.527 3.743 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000120790318 851147458 /nfs/dbraw/zinc/14/74/58/851147458.db2.gz BLJQRQXPLGJSHG-HNNXBMFYSA-N 1 0 383.442 3.998 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000910363993 851156046 /nfs/dbraw/zinc/15/60/46/851156046.db2.gz URRJGLYFXXRNAI-UHFFFAOYSA-N 1 0 390.535 3.681 20 30 GHEDRO CCCCN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000519514452 851168382 /nfs/dbraw/zinc/16/83/82/851168382.db2.gz PKIDDYLPZSBIQJ-UHFFFAOYSA-N 1 0 392.547 3.999 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000434488320 851175263 /nfs/dbraw/zinc/17/52/63/851175263.db2.gz HHHORDLPHOAZJD-FCHUYYIVSA-N 1 0 380.536 3.744 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)C(N)=O)cc1 ZINC000488201392 851264369 /nfs/dbraw/zinc/26/43/69/851264369.db2.gz LZRHZGLWCUJFFD-IBGZPJMESA-N 1 0 385.870 3.979 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[NH+]2CCC(C)CC2)cc1C ZINC000150334253 851366045 /nfs/dbraw/zinc/36/60/45/851366045.db2.gz WDZCRMZUOIZBMA-UHFFFAOYSA-N 1 0 393.535 3.542 20 30 GHEDRO CCOc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000481779854 862243381 /nfs/dbraw/zinc/24/33/81/862243381.db2.gz NQJGAXPJBVWYBQ-UHFFFAOYSA-N 1 0 393.487 3.829 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000488325070 851410561 /nfs/dbraw/zinc/41/05/61/851410561.db2.gz OTXJLOFWNDEYER-UYAOXDASSA-N 1 0 390.531 3.655 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000436274215 851418632 /nfs/dbraw/zinc/41/86/32/851418632.db2.gz LNMDBKXSAJUBMH-UHFFFAOYSA-N 1 0 380.492 3.965 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000425124519 851428573 /nfs/dbraw/zinc/42/85/73/851428573.db2.gz FKMAEXHXVSRVLB-GOSISDBHSA-N 1 0 376.504 3.533 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000329727509 862243048 /nfs/dbraw/zinc/24/30/48/862243048.db2.gz CJSRLRYKXADJIO-YWZLYKJASA-N 1 0 382.508 3.697 20 30 GHEDRO Cc1cccc(Cl)c1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000488596158 851650730 /nfs/dbraw/zinc/65/07/30/851650730.db2.gz NFILUHXBZFSNIA-UHFFFAOYSA-N 1 0 381.907 3.797 20 30 GHEDRO C=CC1CCN(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000111766722 851926415 /nfs/dbraw/zinc/92/64/15/851926415.db2.gz QDVVMLGDZRPAOW-UHFFFAOYSA-N 1 0 384.524 3.931 20 30 GHEDRO Cc1nnc(CNC(N[C@H](C)c2cc(F)c(Cl)cc2Cl)=[NH+]C2CC2)n1C ZINC000261937768 851955832 /nfs/dbraw/zinc/95/58/32/851955832.db2.gz CWHQHDIYAJMTJU-SECBINFHSA-N 1 0 399.301 3.528 20 30 GHEDRO COc1cccc(C2(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)CCCC2)c1 ZINC000516050340 852102245 /nfs/dbraw/zinc/10/22/45/852102245.db2.gz SVKVTVUCTDZRHR-OAQYLSRUSA-N 1 0 394.515 3.603 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)ccc1OC ZINC000438196105 852126105 /nfs/dbraw/zinc/12/61/05/852126105.db2.gz CNAQRHVLCKOEPK-FQEVSTJZSA-N 1 0 392.503 3.943 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C(F)(F)F)cn2)C(=S)NC2CCC2)c1 ZINC000292278892 852167044 /nfs/dbraw/zinc/16/70/44/852167044.db2.gz HXTMQJPWZZDUOU-UHFFFAOYSA-O 1 0 394.442 3.777 20 30 GHEDRO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000329796319 862328448 /nfs/dbraw/zinc/32/84/48/862328448.db2.gz DRLWBRWXXNAMMG-NXHRZFHOSA-N 1 0 392.569 3.948 20 30 GHEDRO Cc1nc(C)c(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000329803650 862332032 /nfs/dbraw/zinc/33/20/32/862332032.db2.gz LKRBXXYDKWTQFV-YOEHRIQHSA-N 1 0 378.567 3.908 20 30 GHEDRO O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329813468 862338097 /nfs/dbraw/zinc/33/80/97/862338097.db2.gz CSLZESMPMQBBPA-SFHVURJKSA-N 1 0 376.460 3.744 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000489357843 852267154 /nfs/dbraw/zinc/26/71/54/852267154.db2.gz PTYONPFOSMKAHU-QFIPXVFZSA-N 1 0 377.488 3.549 20 30 GHEDRO COc1ccc(CCNC(NCc2ccc(OCC#N)cc2)=[NH+]C(C)(C)C)cc1 ZINC000912510092 852314114 /nfs/dbraw/zinc/31/41/14/852314114.db2.gz ZVQUCKWUSTUFFX-UHFFFAOYSA-N 1 0 394.519 3.674 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1 ZINC000506939981 852370208 /nfs/dbraw/zinc/37/02/08/852370208.db2.gz QAWJLUMBVOPSQL-UHFFFAOYSA-N 1 0 398.304 3.606 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438443063 852427566 /nfs/dbraw/zinc/42/75/66/852427566.db2.gz KZZIJKCFLCHKTD-FKVLARQCSA-N 1 0 385.552 3.835 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000516337614 852436389 /nfs/dbraw/zinc/43/63/89/852436389.db2.gz SFDYNHKYKNQPFK-KQVJYAISSA-N 1 0 399.583 3.695 20 30 GHEDRO Cn1nccc1-c1ccccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000507055954 852511477 /nfs/dbraw/zinc/51/14/77/852511477.db2.gz WPXNIEUMIIDSCU-UHFFFAOYSA-N 1 0 385.515 3.667 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000505936343 852644807 /nfs/dbraw/zinc/64/48/07/852644807.db2.gz UGOOERWKEBWGRF-IBGZPJMESA-N 1 0 378.451 3.754 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000507229236 852683628 /nfs/dbraw/zinc/68/36/28/852683628.db2.gz IKMBLAZVWCGZCG-JKSUJKDBSA-N 1 0 391.475 3.557 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC000517988182 852690080 /nfs/dbraw/zinc/69/00/80/852690080.db2.gz KTBBQIRBZUOSRL-UHFFFAOYSA-N 1 0 396.716 3.964 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)cc(OC)c1 ZINC000490010515 852721835 /nfs/dbraw/zinc/72/18/35/852721835.db2.gz IHIJJSOFWGMPRN-GOSISDBHSA-N 1 0 381.476 3.531 20 30 GHEDRO C=CCC[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000427114783 852730257 /nfs/dbraw/zinc/73/02/57/852730257.db2.gz ORKHOIMLZRCOAC-FUPPJEDESA-N 1 0 383.580 3.753 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000425727006 852778002 /nfs/dbraw/zinc/77/80/02/852778002.db2.gz PXQMEAOAFNKMQN-KRWDZBQOSA-N 1 0 377.492 3.572 20 30 GHEDRO N#Cc1ccc(CN2CCCC[C@H]2CNC(=O)c2ccccc2)c(OC(F)F)c1 ZINC000437840572 852781977 /nfs/dbraw/zinc/78/19/77/852781977.db2.gz MFYNWZICOLJRSK-IBGZPJMESA-N 1 0 399.441 3.944 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1)C1CC1 ZINC000329882227 862393783 /nfs/dbraw/zinc/39/37/83/862393783.db2.gz PPZHITHKEANCOG-FYYLOGMGSA-N 1 0 381.520 3.738 20 30 GHEDRO C=CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c(OC)c1 ZINC000506366102 852863201 /nfs/dbraw/zinc/86/32/01/852863201.db2.gz YJJLRMNELBCOKN-IBGZPJMESA-N 1 0 398.503 3.657 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O ZINC000426160296 852866182 /nfs/dbraw/zinc/86/61/82/852866182.db2.gz JKJQJPPLFSMHPQ-QFBILLFUSA-N 1 0 397.494 3.991 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc(Br)cc1C#N ZINC000383093960 852898912 /nfs/dbraw/zinc/89/89/12/852898912.db2.gz WWXKSIRBVGSIMM-OAHLLOKOSA-N 1 0 385.309 3.817 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429603825 852903150 /nfs/dbraw/zinc/90/31/50/852903150.db2.gz HNMUZGFKBHOPPU-GUDVDZBRSA-N 1 0 393.535 3.560 20 30 GHEDRO CCOc1cc(CN2CCN(c3ccccc3C#N)CC2)ccc1OC(F)F ZINC000506393256 852946827 /nfs/dbraw/zinc/94/68/27/852946827.db2.gz CYZDIOIAEFZYAA-UHFFFAOYSA-N 1 0 387.430 3.881 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000669053219 852950085 /nfs/dbraw/zinc/95/00/85/852950085.db2.gz AQDGLSYBIRDEKM-VQTJNVASSA-N 1 0 397.592 3.785 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCO[C@H](CC(C)C)C3)c2)CC1 ZINC000329914591 862418005 /nfs/dbraw/zinc/41/80/05/862418005.db2.gz CORPQNSCWMKYAK-TZIWHRDSSA-N 1 0 388.556 3.557 20 30 GHEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437412647 853106412 /nfs/dbraw/zinc/10/64/12/853106412.db2.gz QSXOEWQFWWDBTN-PBHICJAKSA-N 1 0 379.451 3.676 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[NH2+]CC2(C)C)cc1OCC ZINC000414971421 853128413 /nfs/dbraw/zinc/12/84/13/853128413.db2.gz LEAQMXWWYXNSPL-QGZVFWFLSA-N 1 0 397.357 3.890 20 30 GHEDRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000329937880 862438568 /nfs/dbraw/zinc/43/85/68/862438568.db2.gz LSZGGDDDYOJHOQ-PTLNDYHLSA-N 1 0 399.539 3.817 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000437504079 853186979 /nfs/dbraw/zinc/18/69/79/853186979.db2.gz ZJTRMAPZPUNKLA-KOSHJBKYSA-N 1 0 395.547 3.505 20 30 GHEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000490774228 853251574 /nfs/dbraw/zinc/25/15/74/853251574.db2.gz NTPJTSKUNQSEGT-HXUWFJFHSA-N 1 0 375.476 3.949 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437562913 853271419 /nfs/dbraw/zinc/27/14/19/853271419.db2.gz ZTQOYHMEZOSDEU-BJLQDIEVSA-N 1 0 391.581 3.802 20 30 GHEDRO C[NH+](C)C1(C)CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000913397644 853314278 /nfs/dbraw/zinc/31/42/78/853314278.db2.gz NMFMBORZKFBXRB-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)CCN2C(=O)CSc3ccccc32)C1 ZINC000329953942 862452988 /nfs/dbraw/zinc/45/29/88/862452988.db2.gz NMKOIQXHUIZGNU-UHFFFAOYSA-N 1 0 375.538 3.594 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000437632399 853340541 /nfs/dbraw/zinc/34/05/41/853340541.db2.gz VCNZQZVLCJKMCI-YADHBBJMSA-N 1 0 385.552 3.843 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000437634351 853342270 /nfs/dbraw/zinc/34/22/70/853342270.db2.gz LKGULMCMXUKPGJ-QIJUGHKUSA-N 1 0 385.552 3.841 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000437642967 853354181 /nfs/dbraw/zinc/35/41/81/853354181.db2.gz ASVMKCBIYUCERD-VNHKHXMHSA-N 1 0 399.579 3.945 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000491067717 853435654 /nfs/dbraw/zinc/43/56/54/853435654.db2.gz RPJOALFQAKSGBM-KGVIQGDOSA-N 1 0 377.536 3.796 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000519800032 853515507 /nfs/dbraw/zinc/51/55/07/853515507.db2.gz VSANDWSMXNXSIV-NHCUHLMSSA-N 1 0 396.579 3.745 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519836451 853526020 /nfs/dbraw/zinc/52/60/20/853526020.db2.gz AVKWHAJBCOHOKN-KKSFZXQISA-N 1 0 377.463 3.508 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000518577852 853526629 /nfs/dbraw/zinc/52/66/29/853526629.db2.gz GAOLVMVJHXSURN-GOSISDBHSA-N 1 0 383.536 3.768 20 30 GHEDRO COCCOCc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000519846417 853540351 /nfs/dbraw/zinc/54/03/51/853540351.db2.gz BZRZFSDOTANDEC-UHFFFAOYSA-N 1 0 380.488 3.765 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000437803950 853541319 /nfs/dbraw/zinc/54/13/19/853541319.db2.gz BKPQFTPYBCZWPG-JOCHJYFZSA-N 1 0 387.524 3.668 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(C)c1OC ZINC000586789995 853550241 /nfs/dbraw/zinc/55/02/41/853550241.db2.gz XIYKQCDAXKZVTM-MRXNPFEDSA-N 1 0 380.492 3.599 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000055011214 853628003 /nfs/dbraw/zinc/62/80/03/853628003.db2.gz QCNRRAQSGZRUBE-UHFFFAOYSA-O 1 0 396.580 3.953 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)c1 ZINC000055014038 853629196 /nfs/dbraw/zinc/62/91/96/853629196.db2.gz DZGCTWCASYZTPB-UHFFFAOYSA-O 1 0 384.569 3.984 20 30 GHEDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133273945 862486513 /nfs/dbraw/zinc/48/65/13/862486513.db2.gz FNZVIZVSVGRQMZ-KRWDZBQOSA-N 1 0 394.393 3.523 20 30 GHEDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nc(C3CC3)no2)c1 ZINC000329994528 862490012 /nfs/dbraw/zinc/49/00/12/862490012.db2.gz ZHLPYMAHEDHTHH-ZWKOTPCHSA-N 1 0 381.480 3.684 20 30 GHEDRO CSCCC[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000439469706 853681005 /nfs/dbraw/zinc/68/10/05/853681005.db2.gz MZUHHTZHVSTGAL-UHFFFAOYSA-N 1 0 388.537 3.631 20 30 GHEDRO C=CC[N@@H+](CCCOc1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518751583 853713964 /nfs/dbraw/zinc/71/39/64/853713964.db2.gz YVFLLCFYNSIGEW-KRWDZBQOSA-N 1 0 381.455 3.820 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000571138000 853764787 /nfs/dbraw/zinc/76/47/87/853764787.db2.gz MXBUNDRJOYQJBW-QFIPXVFZSA-N 1 0 386.540 3.921 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCCC[C@H]1C ZINC000055362588 853799249 /nfs/dbraw/zinc/79/92/49/853799249.db2.gz ZKISIHOGOBKVHX-SJORKVTESA-N 1 0 381.476 3.723 20 30 GHEDRO CC(C)CN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000520133191 853884582 /nfs/dbraw/zinc/88/45/82/853884582.db2.gz QAFGJJLNAJZVAS-UHFFFAOYSA-N 1 0 392.547 3.854 20 30 GHEDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)N2CCOCC2)o1 ZINC000481915034 862511916 /nfs/dbraw/zinc/51/19/16/862511916.db2.gz VIEUIPIMZUCZFF-YADHBBJMSA-N 1 0 379.504 3.890 20 30 GHEDRO C[C@@H]1C[NH+](CCCCNc2cc(Br)c(C#N)cc2F)C[C@@H](C)O1 ZINC000571562713 853949474 /nfs/dbraw/zinc/94/94/74/853949474.db2.gz COKGTZYOVRBGHY-CHWSQXEVSA-N 1 0 384.293 3.761 20 30 GHEDRO C[C@@H](COc1cccc(F)c1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330032604 862520938 /nfs/dbraw/zinc/52/09/38/862520938.db2.gz UZEGWWNESOPWSU-INIZCTEOSA-N 1 0 377.504 3.894 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000520293084 854046864 /nfs/dbraw/zinc/04/68/64/854046864.db2.gz VESSCXSOEHDXME-OAQYLSRUSA-N 1 0 385.577 3.952 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NCc1ccccc1)[n+]1ccc(C)cc1 ZINC000186957154 862526975 /nfs/dbraw/zinc/52/69/75/862526975.db2.gz ZZSZBZUNCMIWRA-UHFFFAOYSA-O 1 0 380.493 3.616 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520332072 854088531 /nfs/dbraw/zinc/08/85/31/854088531.db2.gz XZMRBXYSZFPRSE-KURKYZTESA-N 1 0 392.503 3.842 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588235893 854227338 /nfs/dbraw/zinc/22/73/38/854227338.db2.gz SOHHOVYESIZUDN-OXQOHEQNSA-N 1 0 391.475 3.836 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000588672597 854319133 /nfs/dbraw/zinc/31/91/33/854319133.db2.gz KJDMBLAZLJBCRM-YWZLYKJASA-N 1 0 382.895 3.674 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000330087254 862563206 /nfs/dbraw/zinc/56/32/06/862563206.db2.gz NAQACWYCNPRIRY-UHFFFAOYSA-N 1 0 384.524 3.918 20 30 GHEDRO CC(C)[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1nnc2ccccn21 ZINC000328714301 854519347 /nfs/dbraw/zinc/51/93/47/854519347.db2.gz CIXKQMNVHBTUAP-FQEVSTJZSA-N 1 0 398.555 3.585 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)cn21 ZINC000328732628 854540599 /nfs/dbraw/zinc/54/05/99/854540599.db2.gz HGWGBFXJWYHKKA-UHFFFAOYSA-N 1 0 384.528 3.833 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1ccc2ccccc2c1 ZINC000328804747 854542300 /nfs/dbraw/zinc/54/23/00/854542300.db2.gz LORPDSHIAZZFNQ-FBEWHJACSA-N 1 0 382.504 3.719 20 30 GHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccco1 ZINC000671765140 854547151 /nfs/dbraw/zinc/54/71/51/854547151.db2.gz YMGKTKDUAUBCBP-HOTGVXAUSA-N 1 0 380.535 3.649 20 30 GHEDRO O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CC[C@@H](C2CCOCC2)C1 ZINC000328826682 854552816 /nfs/dbraw/zinc/55/28/16/854552816.db2.gz SGVUPHDBRUJJHR-GOSISDBHSA-N 1 0 392.503 3.896 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)C2)CC1 ZINC000328862079 854584712 /nfs/dbraw/zinc/58/47/12/854584712.db2.gz LYEGSNAJEAAGRK-INIZCTEOSA-N 1 0 387.915 3.735 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NC1CC([NH+]3CCCCC3)C1)CC2 ZINC000330112275 862583800 /nfs/dbraw/zinc/58/38/00/862583800.db2.gz RPTKHZVSYXHOPC-WLYUNCDWSA-N 1 0 396.457 3.882 20 30 GHEDRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1OCCc2sccc21 ZINC000328912951 854620521 /nfs/dbraw/zinc/62/05/21/854620521.db2.gz HRVUKRKRPHFAGB-MKNHVETJSA-N 1 0 392.565 3.722 20 30 GHEDRO Cn1ccnc1COc1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000588978977 854624919 /nfs/dbraw/zinc/62/49/19/854624919.db2.gz IKYBDIBEHXQGAF-UHFFFAOYSA-N 1 0 390.487 3.519 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330120857 862590976 /nfs/dbraw/zinc/59/09/76/862590976.db2.gz JFWFMBDWBPDVPH-PMACEKPBSA-N 1 0 381.524 3.619 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000589343251 854800092 /nfs/dbraw/zinc/80/00/92/854800092.db2.gz COXPELAWGMQGKD-RTBURBONSA-N 1 0 396.288 3.703 20 30 GHEDRO Cc1c(CSC(C)C)cccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000331206714 854825404 /nfs/dbraw/zinc/82/54/04/854825404.db2.gz ZXBPEMJYTYKLTR-HOTGVXAUSA-N 1 0 379.570 3.569 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@]2(CCCOC2)O1 ZINC000330140283 862609284 /nfs/dbraw/zinc/60/92/84/862609284.db2.gz WVHXOAYOYNFPLB-RDTXWAMCSA-N 1 0 397.313 3.697 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000481993720 862610678 /nfs/dbraw/zinc/61/06/78/862610678.db2.gz VEOVJGRUHRNDHG-QFIPXVFZSA-N 1 0 395.528 3.655 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)cc2)ccn1 ZINC000572584589 854852142 /nfs/dbraw/zinc/85/21/42/854852142.db2.gz RZRKVDRJMYUKBW-HXUWFJFHSA-N 1 0 379.464 3.775 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000127825068 854997036 /nfs/dbraw/zinc/99/70/36/854997036.db2.gz REGPORCCZGSBNZ-QUCCMNQESA-N 1 0 393.535 3.635 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000589606294 855057642 /nfs/dbraw/zinc/05/76/42/855057642.db2.gz HPHRTCMIYXCJHY-JOCHJYFZSA-N 1 0 376.504 3.660 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1ccc(C)c(C)c1 ZINC000669335329 855075373 /nfs/dbraw/zinc/07/53/73/855075373.db2.gz KXENPSLSOKQPIJ-RTWAWAEBSA-N 1 0 395.551 3.643 20 30 GHEDRO O=C(CN1CCS[C@@H]2COCC[C@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179690 862637451 /nfs/dbraw/zinc/63/74/51/862637451.db2.gz MQEKTHIMZZDIBS-HZPDHXFCSA-N 1 0 393.509 3.744 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000054538612 855165230 /nfs/dbraw/zinc/16/52/30/855165230.db2.gz GWHBOVRXWXKDGV-UHFFFAOYSA-N 1 0 393.491 3.527 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000550411897 855168263 /nfs/dbraw/zinc/16/82/63/855168263.db2.gz ACZMRYRFPVRDJP-UHFFFAOYSA-N 1 0 382.895 3.653 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273412669 855362034 /nfs/dbraw/zinc/36/20/34/855362034.db2.gz IOHQMARRBPOLHA-LEWJYISDSA-N 1 0 381.451 3.878 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000465623106 855409213 /nfs/dbraw/zinc/40/92/13/855409213.db2.gz GQTZKPCAINASFP-FCHUYYIVSA-N 1 0 376.504 3.730 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@H]1CC1CCCCC1 ZINC000330231031 862678959 /nfs/dbraw/zinc/67/89/59/862678959.db2.gz QWVGUGYLRRZSLE-HBMCJLEFSA-N 1 0 377.573 3.713 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1 ZINC000542690844 855456944 /nfs/dbraw/zinc/45/69/44/855456944.db2.gz GYWQIXINOWXJSE-UHFFFAOYSA-N 1 0 397.478 3.713 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000056478851 855555064 /nfs/dbraw/zinc/55/50/64/855555064.db2.gz MCMNVUYNPZGDKC-UHFFFAOYSA-N 1 0 381.476 3.930 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000465669446 855555679 /nfs/dbraw/zinc/55/56/79/855555679.db2.gz UAXOJVSFKUBNME-RTBURBONSA-N 1 0 376.504 3.925 20 30 GHEDRO Cc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000590745898 855561220 /nfs/dbraw/zinc/56/12/20/855561220.db2.gz NHAAAOZKQHQJMY-HSZRJFAPSA-N 1 0 380.536 3.938 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCc3cc(OC)ccc3C2)c(OC)c1 ZINC000590790095 855588165 /nfs/dbraw/zinc/58/81/65/855588165.db2.gz LYPGDDYTOFFFIA-NRFANRHFSA-N 1 0 397.515 3.620 20 30 GHEDRO O=C(Nc1ccc2c(c1)oc1ccccc12)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330255695 862697501 /nfs/dbraw/zinc/69/75/01/862697501.db2.gz PSVWURQHWKVINT-INIZCTEOSA-N 1 0 379.460 3.786 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000590804060 855595633 /nfs/dbraw/zinc/59/56/33/855595633.db2.gz CWCSEUNZJSCYDK-MRXNPFEDSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@H]1CN(C(=O)c2cc3ccccc3n2CC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000590874733 855639738 /nfs/dbraw/zinc/63/97/38/855639738.db2.gz SKKBJOYVJCAOKY-LJQANCHMSA-N 1 0 386.499 3.759 20 30 GHEDRO N#Cc1ccc(Cl)cc1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000301261089 855649907 /nfs/dbraw/zinc/64/99/07/855649907.db2.gz GCJANGXEWIPOSS-SFHVURJKSA-N 1 0 382.895 3.521 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])cc2C#N)CCOCC1)c1ccccc1 ZINC000301294190 855657206 /nfs/dbraw/zinc/65/72/06/855657206.db2.gz RLTSMWQRXIBHQT-MRXNPFEDSA-N 1 0 380.448 3.778 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000465716827 855669136 /nfs/dbraw/zinc/66/91/36/855669136.db2.gz GSPFRALMJOXUJJ-YTFSRNRJSA-N 1 0 390.531 3.641 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466604241 862711524 /nfs/dbraw/zinc/71/15/24/862711524.db2.gz MFKZCGLCPIXHOK-ZWKOTPCHSA-N 1 0 387.528 3.786 20 30 GHEDRO Cc1nsc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000590991927 855713414 /nfs/dbraw/zinc/71/34/14/855713414.db2.gz ANICLMLSLGIJHU-AWEZNQCLSA-N 1 0 384.505 3.829 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CCO[C@@H](c3ccc(OC)cc3)C1)C2 ZINC001168644462 855735570 /nfs/dbraw/zinc/73/55/70/855735570.db2.gz RFMRCGFDRFLISS-KIFXHHALSA-N 1 0 398.547 3.948 20 30 GHEDRO CCc1nnc(Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c(C#N)c1CC ZINC000301663545 855737148 /nfs/dbraw/zinc/73/71/48/855737148.db2.gz YTAPPBBDQVPLMK-UHFFFAOYSA-N 1 0 392.551 3.995 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301840676 855768278 /nfs/dbraw/zinc/76/82/78/855768278.db2.gz AZOHKFAHGCZCHB-WOJBJXKFSA-N 1 0 390.462 3.601 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(c3ccc(C#N)cc3Br)CC2)C[C@@H](C)O1 ZINC000301978467 855792510 /nfs/dbraw/zinc/79/25/10/855792510.db2.gz GRQXOUKKQWBHSZ-HUUCEWRRSA-N 1 0 392.341 3.646 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000302063614 855811034 /nfs/dbraw/zinc/81/10/34/855811034.db2.gz UZBNXCIXAJUCHS-NRFANRHFSA-N 1 0 386.499 3.902 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000302202535 855837400 /nfs/dbraw/zinc/83/74/00/855837400.db2.gz IJYTUSOLYBKLPE-PMACEKPBSA-N 1 0 376.460 3.957 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)CCCC2)c1 ZINC000108407169 855866088 /nfs/dbraw/zinc/86/60/88/855866088.db2.gz QBGVMVHKJMOSNY-QGZVFWFLSA-N 1 0 377.488 3.995 20 30 GHEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000302467722 855869388 /nfs/dbraw/zinc/86/93/88/855869388.db2.gz SWVFVVMLSHYIGD-FQEVSTJZSA-N 1 0 389.421 3.650 20 30 GHEDRO CCCCCCCCCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000760818014 855870520 /nfs/dbraw/zinc/87/05/20/855870520.db2.gz HXZPHLKSUWVQQR-UHFFFAOYSA-N 1 0 380.621 3.937 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441664450 855902095 /nfs/dbraw/zinc/90/20/95/855902095.db2.gz QIHVQQFVKZJKBJ-BZUAXINKSA-N 1 0 387.549 3.574 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1F ZINC000591376128 855957465 /nfs/dbraw/zinc/95/74/65/855957465.db2.gz CDDOZJMYWUSABL-QGZVFWFLSA-N 1 0 377.341 3.611 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H](C#N)CC2)C[C@@H]1C(F)(F)F ZINC001168562507 856063294 /nfs/dbraw/zinc/06/32/94/856063294.db2.gz ZCGKXFFGHPRAPW-SOUVJXGZSA-N 1 0 375.435 3.942 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000520140609 856075402 /nfs/dbraw/zinc/07/54/02/856075402.db2.gz WDWSJCVBAHVFEN-DNVCBOLYSA-N 1 0 385.895 3.614 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000171483417 856157759 /nfs/dbraw/zinc/15/77/59/856157759.db2.gz MBVSGRTZEAEROG-UHFFFAOYSA-N 1 0 394.494 3.929 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171513541 856167721 /nfs/dbraw/zinc/16/77/21/856167721.db2.gz XRMNBDGJAMCPIH-HXUWFJFHSA-N 1 0 392.503 3.643 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000591614469 856177136 /nfs/dbraw/zinc/17/71/36/856177136.db2.gz FBLWEMOHFNOCLM-CYBMUJFWSA-N 1 0 398.320 3.769 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000554825311 856198389 /nfs/dbraw/zinc/19/83/89/856198389.db2.gz WTQVLEYYWYRTQJ-UHFFFAOYSA-N 1 0 392.478 3.553 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000591763712 856231409 /nfs/dbraw/zinc/23/14/09/856231409.db2.gz DHSREYBMBYZWGY-KDOFPFPSSA-N 1 0 377.271 3.882 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)Nc3ccccc3C#N)C2)s1 ZINC000554852112 856241544 /nfs/dbraw/zinc/24/15/44/856241544.db2.gz SDIPJDIFZJSDNS-ROUUACIJSA-N 1 0 396.560 3.709 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)CC1 ZINC000171718433 856242158 /nfs/dbraw/zinc/24/21/58/856242158.db2.gz RABSSXQIPPNFNE-UHFFFAOYSA-N 1 0 395.551 3.752 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)CC1 ZINC000171723586 856244075 /nfs/dbraw/zinc/24/40/75/856244075.db2.gz ZAMQCKURTWIYEU-UHFFFAOYSA-N 1 0 377.847 3.823 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[NH+](C)C)cc1 ZINC000109290045 856270035 /nfs/dbraw/zinc/27/00/35/856270035.db2.gz YPEJTRSMWNNFSZ-UNMCSNQZSA-N 1 0 379.504 3.689 20 30 GHEDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000591764866 856270143 /nfs/dbraw/zinc/27/01/43/856270143.db2.gz MNMDKBIKJQFJSA-OAQYLSRUSA-N 1 0 382.529 3.907 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC4(CCCC4)C3)sc2C1 ZINC000485250010 856281215 /nfs/dbraw/zinc/28/12/15/856281215.db2.gz XVFDYZVOOBNNFK-HNNXBMFYSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1ccccc1OCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000060477851 856307553 /nfs/dbraw/zinc/30/75/53/856307553.db2.gz FSIFGDPJRDEBFY-UHFFFAOYSA-N 1 0 399.878 3.647 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H](C)Oc3ccccc3C#N)C2)s1 ZINC000573619037 856319942 /nfs/dbraw/zinc/31/99/42/856319942.db2.gz XFBRXHGTEYASCE-ROUUACIJSA-N 1 0 397.544 3.676 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C#N ZINC000543559010 862782018 /nfs/dbraw/zinc/78/20/18/862782018.db2.gz OJMPPSHURNDZEC-RXVVDRJESA-N 1 0 382.435 3.836 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3CC=C(c4c[nH]c5ncccc45)CC3)o2)c1 ZINC000438647887 856350720 /nfs/dbraw/zinc/35/07/20/856350720.db2.gz JRPNJRXHERJBOE-UHFFFAOYSA-N 1 0 382.427 3.774 20 30 GHEDRO CC(C)(C)C[N@H+](CCCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000109747319 856366024 /nfs/dbraw/zinc/36/60/24/856366024.db2.gz ZSAOBKRUHIJBBR-UHFFFAOYSA-N 1 0 377.554 3.558 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000591923921 856402218 /nfs/dbraw/zinc/40/22/18/856402218.db2.gz PFFAHZPYKIBAKW-RTBURBONSA-N 1 0 384.911 3.940 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Br)cs3)C2=O)cc1 ZINC000485376274 856406807 /nfs/dbraw/zinc/40/68/07/856406807.db2.gz SADPBIJDLQKTTE-MRXNPFEDSA-N 1 0 390.306 3.667 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N1CCC(CCC#N)CC1)[NH+]1CCCC1 ZINC000591896510 856410468 /nfs/dbraw/zinc/41/04/68/856410468.db2.gz PYJKUHSLVCNLQX-HXUWFJFHSA-N 1 0 384.524 3.557 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C[C@@H](C)C1CCCCC1 ZINC000624840689 856443321 /nfs/dbraw/zinc/44/33/21/856443321.db2.gz PRFOSRYYRCTUQW-RLLQIKCJSA-N 1 0 387.572 3.652 20 30 GHEDRO N#C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cccc(Cl)c1Cl ZINC000172797480 856611824 /nfs/dbraw/zinc/61/18/24/856611824.db2.gz YMPCHUJOIQWPCL-INIZCTEOSA-N 1 0 396.318 3.709 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2sc(C)nc2-c2cccs2)CC1 ZINC000592075627 856652585 /nfs/dbraw/zinc/65/25/85/856652585.db2.gz QXEOLYNMIZCXCI-UHFFFAOYSA-N 1 0 375.563 3.879 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(c2ccccc2C)CC1 ZINC000592139819 856690149 /nfs/dbraw/zinc/69/01/49/856690149.db2.gz ISLPAJUCTHRAEO-UHFFFAOYSA-N 1 0 394.519 3.539 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592154437 856757987 /nfs/dbraw/zinc/75/79/87/856757987.db2.gz RDVZCYQWIBSMGV-FQEVSTJZSA-N 1 0 396.560 3.933 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@@H](CO)c3ccccc3)sc2C1 ZINC000411229221 856857882 /nfs/dbraw/zinc/85/78/82/856857882.db2.gz UDIBQEFQQPOVGG-KXBFYZLASA-N 1 0 397.544 3.739 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ncc(C#N)cc3Cl)cc2)C1 ZINC000427918138 856858235 /nfs/dbraw/zinc/85/82/35/856858235.db2.gz RGURAJROJTVCGJ-HNNXBMFYSA-N 1 0 382.895 3.769 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000427907604 856864295 /nfs/dbraw/zinc/86/42/95/856864295.db2.gz VKZYXYAJOVSHMT-HJOGWXRNSA-N 1 0 387.527 3.739 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307693 856883092 /nfs/dbraw/zinc/88/30/92/856883092.db2.gz QPGNSJGXMMDYMN-UHFFFAOYSA-N 1 0 388.515 3.662 20 30 GHEDRO CC(C)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000126906333 856924702 /nfs/dbraw/zinc/92/47/02/856924702.db2.gz YOEIAGUZQLVXNV-IFMALSPDSA-N 1 0 379.504 3.729 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1ccccc1SC)Cc1ccc(C#N)cc1 ZINC000063753976 857050693 /nfs/dbraw/zinc/05/06/93/857050693.db2.gz QWVJOOBYUOPNHB-UHFFFAOYSA-N 1 0 383.517 3.757 20 30 GHEDRO N#Cc1cc(NC(=O)NCCC[NH+]2CCCCCC2)ccc1OCC(F)(F)F ZINC000058560385 857054253 /nfs/dbraw/zinc/05/42/53/857054253.db2.gz PIGVZVZGFREXOA-UHFFFAOYSA-N 1 0 398.429 3.887 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000129227342 857102784 /nfs/dbraw/zinc/10/27/84/857102784.db2.gz VPZZGRCPIAFJGR-GHOZHQTGSA-N 1 0 398.551 3.620 20 30 GHEDRO CC(C)Oc1ccc(CC#N)cc1-c1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000592987458 857176055 /nfs/dbraw/zinc/17/60/55/857176055.db2.gz UWKFYEOOGUMZAQ-UHFFFAOYSA-N 1 0 393.531 3.833 20 30 GHEDRO Cc1ccc2[nH]cc(CCC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000174017195 857198172 /nfs/dbraw/zinc/19/81/72/857198172.db2.gz KQAHFVGZUIJWNB-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000174029631 857200182 /nfs/dbraw/zinc/20/01/82/857200182.db2.gz MAQXVSMSGUYNGP-UHFFFAOYSA-N 1 0 394.494 3.751 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112791688 857208627 /nfs/dbraw/zinc/20/86/27/857208627.db2.gz YYMKMUVRBWAUII-UXHICEINSA-N 1 0 383.442 3.530 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000174127108 857213796 /nfs/dbraw/zinc/21/37/96/857213796.db2.gz PPICBTFWNDCGER-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1ccc(-n2nccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000112833375 857214668 /nfs/dbraw/zinc/21/46/68/857214668.db2.gz YOJYJCYFPRMCIM-HXUWFJFHSA-N 1 0 385.471 3.595 20 30 GHEDRO N#Cc1ccc(-n2nccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000112833373 857215017 /nfs/dbraw/zinc/21/50/17/857215017.db2.gz YOJYJCYFPRMCIM-FQEVSTJZSA-N 1 0 385.471 3.595 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1O ZINC000174625318 857352677 /nfs/dbraw/zinc/35/26/77/857352677.db2.gz RXVRMDXCYSIQEJ-UHFFFAOYSA-N 1 0 399.516 3.673 20 30 GHEDRO O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330322277 862904393 /nfs/dbraw/zinc/90/43/93/862904393.db2.gz GQJUPBQUKAEEGG-QGPMSJSTSA-N 1 0 393.915 3.708 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000174907518 857406221 /nfs/dbraw/zinc/40/62/21/857406221.db2.gz FOGQQZRWROZTCP-NRFANRHFSA-N 1 0 397.906 3.912 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000246587609 857411414 /nfs/dbraw/zinc/41/14/14/857411414.db2.gz WNTWKNZSLWUSAZ-FDDCHVKYSA-N 1 0 391.515 3.794 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000042803993 857440795 /nfs/dbraw/zinc/44/07/95/857440795.db2.gz ZXAFLJYCTNVSQC-HNNXBMFYSA-N 1 0 386.446 3.671 20 30 GHEDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3cccc(C#N)c3)n2)ccc1O ZINC000113360630 857442586 /nfs/dbraw/zinc/44/25/86/857442586.db2.gz XNSWWYTVHUBXGC-UHFFFAOYSA-N 1 0 392.459 3.825 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)NCC2(C#N)CCCC2)[NH+]2CCCCC2)cc1 ZINC000593294594 857457546 /nfs/dbraw/zinc/45/75/46/857457546.db2.gz NTBVXPYVRLCJBE-HXUWFJFHSA-N 1 0 384.524 3.605 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000574248811 857500481 /nfs/dbraw/zinc/50/04/81/857500481.db2.gz FRRAIPHGIVVAKN-YLJYHZDGSA-N 1 0 378.524 3.559 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355140 857515266 /nfs/dbraw/zinc/51/52/66/857515266.db2.gz LVJKCQZMLQYNHY-UHFFFAOYSA-N 1 0 375.472 3.517 20 30 GHEDRO N#CC1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCC1 ZINC000593347441 857548372 /nfs/dbraw/zinc/54/83/72/857548372.db2.gz UQZXHHGRDRHGOH-QGZVFWFLSA-N 1 0 394.441 3.663 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593386511 857563707 /nfs/dbraw/zinc/56/37/07/857563707.db2.gz SEIHCJZJVHPSAH-YJBOKZPZSA-N 1 0 392.906 3.855 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1OC(F)(F)F ZINC000442191886 857582673 /nfs/dbraw/zinc/58/26/73/857582673.db2.gz HWOONKNCPKLUEZ-UHFFFAOYSA-N 1 0 396.413 3.939 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181588204 862930690 /nfs/dbraw/zinc/93/06/90/862930690.db2.gz UNDLWCGOIQMXQV-IFMALSPDSA-N 1 0 385.458 3.893 20 30 GHEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)C1 ZINC000592502342 857615061 /nfs/dbraw/zinc/61/50/61/857615061.db2.gz QURFUFHTOSLIQJ-HBUWYVDXSA-N 1 0 389.425 3.898 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593534226 857615851 /nfs/dbraw/zinc/61/58/51/857615851.db2.gz ISIMYYZTPDRRLM-ZIFCJYIRSA-N 1 0 389.565 3.514 20 30 GHEDRO C=CCn1c(-c2cc(C)cs2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000624862378 857883908 /nfs/dbraw/zinc/88/39/08/857883908.db2.gz WTYDNGZNDRVMRB-AEFFLSMTSA-N 1 0 383.565 3.954 20 30 GHEDRO C=CCN1C(=O)N(CCCC[N@H+]2CCCC[C@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000761050445 857990024 /nfs/dbraw/zinc/99/00/24/857990024.db2.gz LFIQYZPTNYTMRL-TZIWHRDSSA-N 1 0 383.536 3.703 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000574542318 858053471 /nfs/dbraw/zinc/05/34/71/858053471.db2.gz AXWOFQYGWSOEMD-NRFANRHFSA-N 1 0 396.922 3.890 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000594364635 858094685 /nfs/dbraw/zinc/09/46/85/858094685.db2.gz BZMMEYOCFXYLSE-IIBYNOLFSA-N 1 0 381.545 3.878 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000594400553 858131806 /nfs/dbraw/zinc/13/18/06/858131806.db2.gz FWGUGZLHODXNEP-KDURUIRLSA-N 1 0 379.529 3.921 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000594434243 858177249 /nfs/dbraw/zinc/17/72/49/858177249.db2.gz LTTUHMOOSQSXFK-HZPDHXFCSA-N 1 0 386.496 3.854 20 30 GHEDRO Cc1nnc(Sc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)c(C)c2)s1 ZINC000594440412 858178116 /nfs/dbraw/zinc/17/81/16/858178116.db2.gz ZCLRDPHIWXACOR-CQSZACIVSA-N 1 0 375.523 3.656 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000594447913 858178903 /nfs/dbraw/zinc/17/89/03/858178903.db2.gz XNFDUVSTELPEEB-KRWDZBQOSA-N 1 0 392.341 3.788 20 30 GHEDRO C[C@@H]1Cc2cc(-c3ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc3)ccc2O1 ZINC000594447197 858179899 /nfs/dbraw/zinc/17/98/99/858179899.db2.gz VDOFMBHVKBFMTO-IIBYNOLFSA-N 1 0 377.488 3.704 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H](C)C1 ZINC000592765984 858202096 /nfs/dbraw/zinc/20/20/96/858202096.db2.gz HQNHJATVGISWSX-CXAGYDPISA-N 1 0 398.334 3.732 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@H](C[C@@H]3CCCO3)C(F)(F)F)CC2)cc1 ZINC000594519781 858207433 /nfs/dbraw/zinc/20/74/33/858207433.db2.gz LLHYDZPDZIETPH-RBUKOAKNSA-N 1 0 381.442 3.612 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](O)COc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000594919370 858303884 /nfs/dbraw/zinc/30/38/84/858303884.db2.gz YQKARUYWKYKZKP-GOSISDBHSA-N 1 0 390.405 3.790 20 30 GHEDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000594962703 858347311 /nfs/dbraw/zinc/34/73/11/858347311.db2.gz GADFCAAXVXIWIF-CKUXNOBLSA-N 1 0 394.515 3.793 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3F)CC2)nc1 ZINC000067011045 858394939 /nfs/dbraw/zinc/39/49/39/858394939.db2.gz SAZVNAAQGTXSSR-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655779509 858450882 /nfs/dbraw/zinc/45/08/82/858450882.db2.gz MUZJLXZQESUTBW-MSOLQXFVSA-N 1 0 376.298 3.766 20 30 GHEDRO N#Cc1ccc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000521948005 858464320 /nfs/dbraw/zinc/46/43/20/858464320.db2.gz QQCFMTPHBLOFKD-QFIPXVFZSA-N 1 0 376.460 3.959 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCC3(C#N)CCCCC3)cc2)C[C@H](C)O1 ZINC000595458534 858537479 /nfs/dbraw/zinc/53/74/79/858537479.db2.gz JSOSKWMQGUCIFB-KDURUIRLSA-N 1 0 398.551 3.569 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)[NH+]1CCCCC1 ZINC000595510936 858549176 /nfs/dbraw/zinc/54/91/76/858549176.db2.gz FSAQDPPICZRAIV-QUCCMNQESA-N 1 0 384.524 3.557 20 30 GHEDRO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c(OC)c1 ZINC000595635446 858625162 /nfs/dbraw/zinc/62/51/62/858625162.db2.gz KVTOGOBHFOCNLA-CYXJOQHWSA-N 1 0 380.488 3.865 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](CO)Cc1ccccc1 ZINC000595596601 858626662 /nfs/dbraw/zinc/62/66/62/858626662.db2.gz PSLPEJNTOINXPC-PKOBYXMFSA-N 1 0 397.544 3.555 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000595641198 858634760 /nfs/dbraw/zinc/63/47/60/858634760.db2.gz DSOOBFLMLYXKTC-UHFFFAOYSA-N 1 0 390.487 3.729 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000595642812 858635719 /nfs/dbraw/zinc/63/57/19/858635719.db2.gz UOVPGUFDHKNWDF-KRWDZBQOSA-N 1 0 389.293 3.585 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595653157 858638468 /nfs/dbraw/zinc/63/84/68/858638468.db2.gz KBBCFEFBGBZMGY-IRLDBZIGSA-N 1 0 380.536 3.957 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000595685571 858647079 /nfs/dbraw/zinc/64/70/79/858647079.db2.gz GQZPHXUKGQAIPY-QUCCMNQESA-N 1 0 382.533 3.545 20 30 GHEDRO CC(C)(C)OC(=O)CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000595719420 858658319 /nfs/dbraw/zinc/65/83/19/858658319.db2.gz ULKUHXZOFKMGDD-UHFFFAOYSA-N 1 0 385.508 3.721 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000159830034 863048725 /nfs/dbraw/zinc/04/87/25/863048725.db2.gz LXINPYBEUMVBMG-CQSZACIVSA-N 1 0 383.883 3.954 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C)O[C@@H](C)C3)sc2C1 ZINC000595781440 858686342 /nfs/dbraw/zinc/68/63/42/858686342.db2.gz TVZWBEFGIWBNMR-ZNMIVQPWSA-N 1 0 375.538 3.572 20 30 GHEDRO CC[N@H+](CCOc1ccccc1OC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000595884442 858706314 /nfs/dbraw/zinc/70/63/14/858706314.db2.gz FPLUUFPLSLKVGI-UHFFFAOYSA-N 1 0 390.487 3.868 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC3=CCSC3)sc2C1 ZINC000595887979 858707917 /nfs/dbraw/zinc/70/79/17/858707917.db2.gz JXZIRYCNFKBBGV-ZDUSSCGKSA-N 1 0 375.563 3.678 20 30 GHEDRO C=CCN1C(=O)N(CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000761151522 858798313 /nfs/dbraw/zinc/79/83/13/858798313.db2.gz PVHQGNMRGUUDRG-ICSRJNTNSA-N 1 0 383.536 3.558 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000596165486 858810300 /nfs/dbraw/zinc/81/03/00/858810300.db2.gz SSAWEIHIVXZKPW-PGRDOPGGSA-N 1 0 376.504 3.578 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000195211054 881347437 /nfs/dbraw/zinc/34/74/37/881347437.db2.gz RUEUYXBLSRRCDJ-UHFFFAOYSA-N 1 0 377.488 3.611 20 30 GHEDRO CC(C)(NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596258633 858845170 /nfs/dbraw/zinc/84/51/70/858845170.db2.gz WHVNLWDSIWBIJZ-OAQYLSRUSA-N 1 0 390.531 3.657 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CC1 ZINC000183990252 858854340 /nfs/dbraw/zinc/85/43/40/858854340.db2.gz UTPJBSNVVYNSRU-UHFFFAOYSA-N 1 0 375.476 3.797 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3c(F)cc(F)cc3F)CC2)c1 ZINC000593166433 858866558 /nfs/dbraw/zinc/86/65/58/858866558.db2.gz WTQLNADPJGBGMO-UHFFFAOYSA-N 1 0 388.393 3.762 20 30 GHEDRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000131019525 858867688 /nfs/dbraw/zinc/86/76/88/858867688.db2.gz FTZUGYPCCRONRC-QGZVFWFLSA-N 1 0 394.393 3.523 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)C2 ZINC000593171469 858872358 /nfs/dbraw/zinc/87/23/58/858872358.db2.gz IJZVXJSKCYLJIU-UHFFFAOYSA-N 1 0 390.487 3.971 20 30 GHEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 ZINC000543594548 858892408 /nfs/dbraw/zinc/89/24/08/858892408.db2.gz JEDIJABBSWHHEM-MRXNPFEDSA-N 1 0 376.497 3.749 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000596470731 858905852 /nfs/dbraw/zinc/90/58/52/858905852.db2.gz GSMXLHOUPFMEHT-HXUWFJFHSA-N 1 0 393.535 3.895 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000922972615 858908926 /nfs/dbraw/zinc/90/89/26/858908926.db2.gz ZFLFHXJQUBABCC-NBEIKUQISA-N 1 0 398.532 3.729 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000596672015 858984880 /nfs/dbraw/zinc/98/48/80/858984880.db2.gz JQSSCRRTVHLURS-LJQANCHMSA-N 1 0 382.552 3.787 20 30 GHEDRO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000593214965 858990919 /nfs/dbraw/zinc/99/09/19/858990919.db2.gz ALQFFOVAUGLOLO-UHFFFAOYSA-N 1 0 381.480 3.845 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000596682443 859003980 /nfs/dbraw/zinc/00/39/80/859003980.db2.gz ASSIAISQMVFVHD-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[NH+](C)C ZINC000596701705 859018145 /nfs/dbraw/zinc/01/81/45/859018145.db2.gz YJYQIFKZDLGFEI-KRWDZBQOSA-N 1 0 380.492 3.793 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC3(C#N)CCCCC3)cc2)C[C@@H](C)O1 ZINC000596788872 859076792 /nfs/dbraw/zinc/07/67/92/859076792.db2.gz KBBGPUXHZKTEBT-RTBURBONSA-N 1 0 383.536 3.776 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCC1(C#N)CCCCC1 ZINC000596862622 859142678 /nfs/dbraw/zinc/14/26/78/859142678.db2.gz WUXPVCKZYUOCMO-UHFFFAOYSA-N 1 0 376.467 3.766 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1Cl ZINC000116817463 859174413 /nfs/dbraw/zinc/17/44/13/859174413.db2.gz QFFAMWMKCDYCDK-UHFFFAOYSA-N 1 0 389.908 3.883 20 30 GHEDRO [NH2+]=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)Nc1ccccc1OC(F)(F)F ZINC000187135887 859197633 /nfs/dbraw/zinc/19/76/33/859197633.db2.gz USDPZBWYTARNCQ-HZMBPMFUSA-N 1 0 399.335 3.795 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000466357382 859217834 /nfs/dbraw/zinc/21/78/34/859217834.db2.gz NFZGFJANAFYVOH-JOCHJYFZSA-N 1 0 376.460 3.959 20 30 GHEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477500 859330962 /nfs/dbraw/zinc/33/09/62/859330962.db2.gz KGRBXKFLXKZMDX-MRXNPFEDSA-N 1 0 383.467 3.747 20 30 GHEDRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069077566 859331878 /nfs/dbraw/zinc/33/18/78/859331878.db2.gz BNQAGGSFUREPEF-HNNXBMFYSA-N 1 0 380.876 3.787 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](CN4CCCC4=O)C3)c2)c1 ZINC000597227234 859362108 /nfs/dbraw/zinc/36/21/08/859362108.db2.gz BJHHDHAIDVGCDN-JOCHJYFZSA-N 1 0 389.499 3.582 20 30 GHEDRO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000483436650 859372066 /nfs/dbraw/zinc/37/20/66/859372066.db2.gz GOEMEGUYBXRFJR-UHFFFAOYSA-N 1 0 387.277 3.886 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)o1 ZINC000764317303 859379225 /nfs/dbraw/zinc/37/92/25/859379225.db2.gz ZRMGOGBREBIHCW-UHFFFAOYSA-N 1 0 376.800 3.807 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170359765 881424587 /nfs/dbraw/zinc/42/45/87/881424587.db2.gz FCYVRNFBJDAYKS-YGWFNULRSA-N 1 0 387.527 3.885 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000601703640 859474653 /nfs/dbraw/zinc/47/46/53/859474653.db2.gz MCXYPISNBOKRQH-OAHLLOKOSA-N 1 0 396.800 3.658 20 30 GHEDRO Cc1ccc(C[C@@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593348515 859502526 /nfs/dbraw/zinc/50/25/26/859502526.db2.gz NCXDGSKJKIICCE-MRXNPFEDSA-N 1 0 396.560 3.823 20 30 GHEDRO Cc1cccc(Cl)c1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352388 859533934 /nfs/dbraw/zinc/53/39/34/859533934.db2.gz ZRAJKUOMGDZMFX-UHFFFAOYSA-N 1 0 381.907 3.843 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)CC2)c1 ZINC000593352524 859534805 /nfs/dbraw/zinc/53/48/05/859534805.db2.gz DNQSGBSLIXMCME-PZJWPPBQSA-N 1 0 395.453 3.721 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3SCCc4sccc43)CC2)c1 ZINC000593352432 859535171 /nfs/dbraw/zinc/53/51/71/859535171.db2.gz AHQSJGWXOIVIQX-HXUWFJFHSA-N 1 0 397.569 3.731 20 30 GHEDRO CS[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593352899 859537157 /nfs/dbraw/zinc/53/71/57/859537157.db2.gz HBHGZJOONMTUMJ-OAQYLSRUSA-N 1 0 379.529 3.743 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)CC2)c1 ZINC000593355673 859545466 /nfs/dbraw/zinc/54/54/66/859545466.db2.gz YBMMMYIZIFXTSG-NHCUHLMSSA-N 1 0 395.453 3.721 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)CC2)c1 ZINC000593355672 859545648 /nfs/dbraw/zinc/54/56/48/859545648.db2.gz YBMMMYIZIFXTSG-LEWJYISDSA-N 1 0 395.453 3.721 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CSc4ccccc43)CC2)c1 ZINC000593355049 859557913 /nfs/dbraw/zinc/55/79/13/859557913.db2.gz VUDKVNNHLXNQSX-FQEVSTJZSA-N 1 0 377.513 3.528 20 30 GHEDRO COc1cccc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000597477355 859565122 /nfs/dbraw/zinc/56/51/22/859565122.db2.gz RNPSZYKYIFWPGE-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)c1 ZINC000593356818 859575249 /nfs/dbraw/zinc/57/52/49/859575249.db2.gz SNHFOFLZSRFLQX-TUNNFDKTSA-N 1 0 380.536 3.791 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCCN(Cc4ccccc4)C3)CC2)nc1 ZINC000543414642 859629251 /nfs/dbraw/zinc/62/92/51/859629251.db2.gz JHBCBESIPBSWEA-OOMBGRCJSA-N 1 0 390.531 3.897 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593374061 859660544 /nfs/dbraw/zinc/66/05/44/859660544.db2.gz MHXADICTEKPVEN-CYGODWOOSA-N 1 0 388.515 3.740 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000552058340 859676554 /nfs/dbraw/zinc/67/65/54/859676554.db2.gz BYQQBNMCTCDZJK-ILWGZMRPSA-N 1 0 377.488 3.828 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)c1C#N ZINC000552059019 859677343 /nfs/dbraw/zinc/67/73/43/859677343.db2.gz JGXHDBXNDXETKR-YHYVQYDKSA-N 1 0 378.472 3.786 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000552058341 859677365 /nfs/dbraw/zinc/67/73/65/859677365.db2.gz BYQQBNMCTCDZJK-KSEOMHKRSA-N 1 0 377.488 3.828 20 30 GHEDRO N#CCC[C@H](C#N)CNc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000611290609 859684662 /nfs/dbraw/zinc/68/46/62/859684662.db2.gz CRYDMUSEPMRCSM-JOCHJYFZSA-N 1 0 387.531 3.907 20 30 GHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118016782 859689060 /nfs/dbraw/zinc/68/90/60/859689060.db2.gz UDHCDNZAJWWZAP-LJQANCHMSA-N 1 0 394.475 3.583 20 30 GHEDRO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000611322723 859696032 /nfs/dbraw/zinc/69/60/32/859696032.db2.gz YBFFRTOAVHQDFX-GAJHUEQPSA-N 1 0 395.551 3.679 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccc(C4CC4)cc3)CC2)c1 ZINC000593397957 859727380 /nfs/dbraw/zinc/72/73/80/859727380.db2.gz QBLKBYCPEHYKRQ-UHFFFAOYSA-N 1 0 388.515 3.899 20 30 GHEDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000611389398 859733329 /nfs/dbraw/zinc/73/33/29/859733329.db2.gz VMDWXMUFVMEXBG-VGSWGCGISA-N 1 0 377.488 3.971 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CCCc4cc(C#N)ccc43)C2)c1 ZINC000611393661 859735843 /nfs/dbraw/zinc/73/58/43/859735843.db2.gz JWULHEVYNBXUON-MBSDFSHPSA-N 1 0 377.488 3.821 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccnn3CC3CCCCC3)CC2)c1 ZINC000611396020 859736027 /nfs/dbraw/zinc/73/60/27/859736027.db2.gz ANQMNNZYUXJWBN-UHFFFAOYSA-N 1 0 377.492 3.552 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000611390472 859740666 /nfs/dbraw/zinc/74/06/66/859740666.db2.gz DDUNZROZEQCIAM-HSZRJFAPSA-N 1 0 388.515 3.628 20 30 GHEDRO COc1ccc([C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000611390236 859740749 /nfs/dbraw/zinc/74/07/49/859740749.db2.gz LJCMEAOVJLAXCG-DNQXCXABSA-N 1 0 391.515 3.607 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@H]([NH+](CC)CC)C2)c1=S ZINC000765036505 859742844 /nfs/dbraw/zinc/74/28/44/859742844.db2.gz HNQJFIDAPCZVKY-LJQANCHMSA-N 1 0 385.581 3.949 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000611413846 859747115 /nfs/dbraw/zinc/74/71/15/859747115.db2.gz ZTWZPRROIJHDQJ-FQEVSTJZSA-N 1 0 381.907 3.832 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(OCc3ccccc3C#N)cc1)C2 ZINC000597715572 859760473 /nfs/dbraw/zinc/76/04/73/859760473.db2.gz MUBKVKDOKOAARM-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)n2c1 ZINC000611464435 859765517 /nfs/dbraw/zinc/76/55/17/859765517.db2.gz XSJWPTRPGFWHSC-INIZCTEOSA-N 1 0 385.393 3.593 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)CC1 ZINC000765065641 859771542 /nfs/dbraw/zinc/77/15/42/859771542.db2.gz QELQDEDAAOGTTE-IBGZPJMESA-N 1 0 376.500 3.788 20 30 GHEDRO N#Cc1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(Br)c1 ZINC000611500493 859786750 /nfs/dbraw/zinc/78/67/50/859786750.db2.gz NRMUALJVMWNPFU-QZTJIDSGSA-N 1 0 382.305 3.889 20 30 GHEDRO Cc1nc(-c2ccccc2)[nH]c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000611504997 859788993 /nfs/dbraw/zinc/78/89/93/859788993.db2.gz BECPGZFLENWVOO-UHFFFAOYSA-N 1 0 399.498 3.673 20 30 GHEDRO C[C@H](NC(=O)c1cc2ccccc2n1CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611518552 859796968 /nfs/dbraw/zinc/79/69/68/859796968.db2.gz RXPXRRVJAYBRQL-RXVVDRJESA-N 1 0 386.499 3.805 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000602165537 859819183 /nfs/dbraw/zinc/81/91/83/859819183.db2.gz COCDVYNVFSDMCJ-CALCHBBNSA-N 1 0 379.435 3.846 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@]34CCCC[C@@H]3C4(F)F)CC2)c1 ZINC000597818737 859829082 /nfs/dbraw/zinc/82/90/82/859829082.db2.gz DFBSVPNBEOAKKX-FPOVZHCZSA-N 1 0 387.474 3.854 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1OC ZINC000765248355 859864357 /nfs/dbraw/zinc/86/43/57/859864357.db2.gz WNTJPAMIPOQFCG-LAUBAEHRSA-N 1 0 394.515 3.683 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466526975 859868151 /nfs/dbraw/zinc/86/81/51/859868151.db2.gz LEEBMWFIOOGHTH-QFBILLFUSA-N 1 0 378.476 3.741 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000597920905 859928243 /nfs/dbraw/zinc/92/82/43/859928243.db2.gz CJPGPQZXWMWABA-FQEVSTJZSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000161434876 859953587 /nfs/dbraw/zinc/95/35/87/859953587.db2.gz LAMKEIWKSWSXPE-HXUWFJFHSA-N 1 0 375.472 3.585 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1 ZINC001168541112 859985531 /nfs/dbraw/zinc/98/55/31/859985531.db2.gz GCXGIVWGPVMZBH-XWRIVVANSA-N 1 0 395.890 3.956 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1 ZINC001168541114 859987334 /nfs/dbraw/zinc/98/73/34/859987334.db2.gz GCXGIVWGPVMZBH-YFZFPPMRSA-N 1 0 395.890 3.956 20 30 GHEDRO CC[C@H](C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000060756577 859990410 /nfs/dbraw/zinc/99/04/10/859990410.db2.gz CHTWKUQCTJWVMR-SFHVURJKSA-N 1 0 399.560 3.824 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508919119 860011970 /nfs/dbraw/zinc/01/19/70/860011970.db2.gz PMPSKPBXODHDMU-RXVVDRJESA-N 1 0 395.526 3.647 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508921616 860024591 /nfs/dbraw/zinc/02/45/91/860024591.db2.gz MDVAMESMNLCIQX-IBGZPJMESA-N 1 0 377.492 3.682 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N(Cc3cccs3)C3CC3)CC2)c1 ZINC000593510298 860049705 /nfs/dbraw/zinc/04/97/05/860049705.db2.gz MGDPHCWOAZXVHX-UHFFFAOYSA-N 1 0 394.544 3.958 20 30 GHEDRO CCCO[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593512074 860078334 /nfs/dbraw/zinc/07/83/34/860078334.db2.gz RZWSDCUHZDKRRK-JOCHJYFZSA-N 1 0 398.551 3.513 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000602534799 860103832 /nfs/dbraw/zinc/10/38/32/860103832.db2.gz RMJDHSRSOFPUNV-CVEARBPZSA-N 1 0 396.354 3.553 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000602566848 860118551 /nfs/dbraw/zinc/11/85/51/860118551.db2.gz BZPHMIBIQBQNBW-RDJZCZTQSA-N 1 0 384.442 3.545 20 30 GHEDRO N#CC1CCC([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000602567630 860118570 /nfs/dbraw/zinc/11/85/70/860118570.db2.gz IDXKNRIGHWZZOF-UHFFFAOYSA-N 1 0 387.480 3.798 20 30 GHEDRO C[C@H](CCC#N)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000602590467 860129782 /nfs/dbraw/zinc/12/97/82/860129782.db2.gz UVUYOTAMFWSVHA-JLTOFOAXSA-N 1 0 392.471 3.987 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(C3(c4cccc(Br)c4)CC3)no1)C2 ZINC000904116604 860144464 /nfs/dbraw/zinc/14/44/64/860144464.db2.gz LGUXKIJUUAEUQA-FHBSJOOWSA-N 1 0 399.292 3.519 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000123926797 860152281 /nfs/dbraw/zinc/15/22/81/860152281.db2.gz VPIWFIDHZMGGLP-UHFFFAOYSA-N 1 0 378.476 3.613 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)cc(OC)c1O ZINC000895988274 860205768 /nfs/dbraw/zinc/20/57/68/860205768.db2.gz BJRFOURDBFAUFX-FQEVSTJZSA-N 1 0 375.509 3.739 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cc1OCCCC#N ZINC000602716709 860226747 /nfs/dbraw/zinc/22/67/47/860226747.db2.gz XEDOBCRTMQPZSM-HXUWFJFHSA-N 1 0 381.476 3.564 20 30 GHEDRO CCC1=NC2(CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)C(=O)N1C ZINC001170398938 881532591 /nfs/dbraw/zinc/53/25/91/881532591.db2.gz XBIFDHHBMJIBLA-UHFFFAOYSA-N 1 0 378.520 3.506 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598585380 860433264 /nfs/dbraw/zinc/43/32/64/860433264.db2.gz BUNYKGUIAIQHQK-AUSIDOKSSA-N 1 0 394.515 3.952 20 30 GHEDRO CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000603032338 860440110 /nfs/dbraw/zinc/44/01/10/860440110.db2.gz HLIDNYSCDLWMQF-RDTXWAMCSA-N 1 0 390.915 3.969 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)Cc3ccc(CC#N)cc3)cc2)C1 ZINC000519603754 860482957 /nfs/dbraw/zinc/48/29/57/860482957.db2.gz IPONDDVWNCJZKB-GOSISDBHSA-N 1 0 397.544 3.926 20 30 GHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508998598 860484109 /nfs/dbraw/zinc/48/41/09/860484109.db2.gz USEHDVGNLUSCBO-UHFFFAOYSA-N 1 0 395.551 3.518 20 30 GHEDRO COC(=O)c1oc([C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000124795719 860498136 /nfs/dbraw/zinc/49/81/36/860498136.db2.gz CJKZYBMMWZWGQC-KRWDZBQOSA-N 1 0 381.476 3.515 20 30 GHEDRO CC[N@H+](CCC1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1)CC1CC1 ZINC000552441201 860517526 /nfs/dbraw/zinc/51/75/26/860517526.db2.gz REOUDEAPWKRTLT-UHFFFAOYSA-N 1 0 393.535 3.942 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)ccc1OC ZINC000116350109 860533582 /nfs/dbraw/zinc/53/35/82/860533582.db2.gz GJIANEASJPTAIQ-LJQANCHMSA-N 1 0 380.488 3.825 20 30 GHEDRO CC(C)[C@@H](CNC(=O)CCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025539263 860535116 /nfs/dbraw/zinc/53/51/16/860535116.db2.gz SYAGNLCQZJGKFH-HSZRJFAPSA-N 1 0 375.516 3.690 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000509010066 860538413 /nfs/dbraw/zinc/53/84/13/860538413.db2.gz HBKNDKPYXORKRF-NRFANRHFSA-N 1 0 393.535 3.595 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061011523 860541649 /nfs/dbraw/zinc/54/16/49/860541649.db2.gz KLFCSYGVIBWMCA-UHFFFAOYSA-N 1 0 375.516 3.914 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170378724 881554389 /nfs/dbraw/zinc/55/43/89/881554389.db2.gz JLAHSMBVSOLGOR-LRZVDXDASA-N 1 0 399.535 3.616 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CC1 ZINC000172119427 860578630 /nfs/dbraw/zinc/57/86/30/860578630.db2.gz KCCWSVDSAHYJQF-NDEPHWFRSA-N 1 0 397.544 3.766 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2=CCCOC2)cc1OCC ZINC000673616024 860578962 /nfs/dbraw/zinc/57/89/62/860578962.db2.gz RAKVRYCBIMHHED-UHFFFAOYSA-N 1 0 382.298 3.849 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1F ZINC000170936445 860579613 /nfs/dbraw/zinc/57/96/13/860579613.db2.gz CSFGTWUAQSOPMM-UHFFFAOYSA-N 1 0 382.483 3.751 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170381217 881557914 /nfs/dbraw/zinc/55/79/14/881557914.db2.gz KJFLIDWPOHVNGU-UHFFFAOYSA-N 1 0 391.563 3.943 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000624982235 860613142 /nfs/dbraw/zinc/61/31/42/860613142.db2.gz MQXAGIFZGIAWGJ-TZIWHRDSSA-N 1 0 395.551 3.725 20 30 GHEDRO CC(C)N(c1ncnc2c1CC[NH2+]CC2)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170383888 881560578 /nfs/dbraw/zinc/56/05/78/881560578.db2.gz RRUNRBXNMHBDGF-UHFFFAOYSA-N 1 0 389.547 3.784 20 30 GHEDRO N#CCC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001170399783 881562418 /nfs/dbraw/zinc/56/24/18/881562418.db2.gz NAZFBUBKTOMTGM-UHFFFAOYSA-N 1 0 397.469 3.935 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603261 881578510 /nfs/dbraw/zinc/57/85/10/881578510.db2.gz FXMYAUYSBMWHOQ-NRFANRHFSA-N 1 0 382.483 3.586 20 30 GHEDRO C=C(C)COCCNC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000474794564 860782107 /nfs/dbraw/zinc/78/21/07/860782107.db2.gz FDSJYGFYHNDZPF-HXUWFJFHSA-N 1 0 399.560 3.739 20 30 GHEDRO CC[N@H+](CC(=O)NCC#N)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC000522472015 860789839 /nfs/dbraw/zinc/78/98/39/860789839.db2.gz UYSOPSTYHPXVAV-UHFFFAOYSA-N 1 0 379.504 3.653 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2F)CC1 ZINC000730070353 860860453 /nfs/dbraw/zinc/86/04/53/860860453.db2.gz VVYWDMNWZYSPGZ-UHFFFAOYSA-N 1 0 395.478 3.588 20 30 GHEDRO Cc1ncc(CO)c(/C=N\CC2CC[NH+](Cc3ccccc3Cl)CC2)c1O ZINC000730147477 860896986 /nfs/dbraw/zinc/89/69/86/860896986.db2.gz OVWSSUDPQHCZNR-FMCGGJTJSA-N 1 0 387.911 3.572 20 30 GHEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593722825 861018074 /nfs/dbraw/zinc/01/80/74/861018074.db2.gz RIUMOIOZTZPECP-QFIPXVFZSA-N 1 0 379.479 3.947 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)NC(=O)NC1CCCCC1 ZINC000329101042 861018314 /nfs/dbraw/zinc/01/83/14/861018314.db2.gz ZPSOUVHLQOLXQX-HSALFYBXSA-N 1 0 385.508 3.694 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)CCOCC1 ZINC000599295201 861035876 /nfs/dbraw/zinc/03/58/76/861035876.db2.gz ZAPJDYWUNSPZAO-HXUWFJFHSA-N 1 0 376.928 3.666 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC12CCC2 ZINC000329159266 861078775 /nfs/dbraw/zinc/07/87/75/861078775.db2.gz XLOALXKQKICYKD-OAHLLOKOSA-N 1 0 377.916 3.899 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1OC ZINC000623454559 861083191 /nfs/dbraw/zinc/08/31/91/861083191.db2.gz KIWQBEQMFXLRCJ-MRXNPFEDSA-N 1 0 381.900 3.731 20 30 GHEDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N ZINC000599381820 861144801 /nfs/dbraw/zinc/14/48/01/861144801.db2.gz PVJXDWVGYPZTMC-QGZVFWFLSA-N 1 0 383.517 3.600 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)cc1OC ZINC000623526567 861158750 /nfs/dbraw/zinc/15/87/50/861158750.db2.gz HFNKUHJEXNNSER-ZHALLVOQSA-N 1 0 392.927 3.650 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C12CCC2 ZINC001168337476 881630708 /nfs/dbraw/zinc/63/07/08/881630708.db2.gz FSSZEXOEBNLEIG-RTWAWAEBSA-N 1 0 375.472 3.953 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000439671466 863179471 /nfs/dbraw/zinc/17/94/71/863179471.db2.gz JQWMRLFNRSDGGH-JEBQAFNWSA-N 1 0 375.900 3.866 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000733799998 863192941 /nfs/dbraw/zinc/19/29/41/863192941.db2.gz QBXPULAXCSXZBZ-IBGZPJMESA-N 1 0 386.540 3.821 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000733851234 863217820 /nfs/dbraw/zinc/21/78/20/863217820.db2.gz ZQTHRHSWAOLNLU-UXHICEINSA-N 1 0 384.524 3.527 20 30 GHEDRO Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000281639614 863299027 /nfs/dbraw/zinc/29/90/27/863299027.db2.gz QQMJMBMPXWKKHO-UHFFFAOYSA-N 1 0 392.503 3.939 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000062474900 863422273 /nfs/dbraw/zinc/42/22/73/863422273.db2.gz BASINBIKGHZYLG-QFIPXVFZSA-N 1 0 381.520 3.738 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000593946503 863444546 /nfs/dbraw/zinc/44/45/46/863444546.db2.gz GZWSVFIDKBDGEM-INIZCTEOSA-N 1 0 396.922 3.781 20 30 GHEDRO CC(C)OCc1ccccc1CNC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594030910 863789306 /nfs/dbraw/zinc/78/93/06/863789306.db2.gz AGAQXAAZQNQFNF-UHFFFAOYSA-N 1 0 391.515 3.768 20 30 GHEDRO C=CCc1ccc(OCC(=O)N(CC[NH+]2CCCC2)c2ccccc2)c(OC)c1 ZINC000606815445 863844646 /nfs/dbraw/zinc/84/46/46/863844646.db2.gz PDBFBHNHHWRNPE-UHFFFAOYSA-N 1 0 394.515 3.932 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000734159416 864038373 /nfs/dbraw/zinc/03/83/73/864038373.db2.gz MPLOMTWJUBDVFW-UHFFFAOYSA-N 1 0 388.467 3.971 20 30 GHEDRO CCOC1CC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000554282941 864040022 /nfs/dbraw/zinc/04/00/22/864040022.db2.gz HGTVOPBDKZPBTP-UHFFFAOYSA-N 1 0 386.540 3.920 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC4(CCNC(=O)O4)CC3)c2)c1 ZINC000897019064 864285954 /nfs/dbraw/zinc/28/59/54/864285954.db2.gz OVFKIGQSPFIYGW-UHFFFAOYSA-N 1 0 391.471 3.602 20 30 GHEDRO CC(C)N1C(=O)C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000480243436 864307439 /nfs/dbraw/zinc/30/74/39/864307439.db2.gz DRRIZCIWPMTXKM-ICSRJNTNSA-N 1 0 388.874 3.529 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1OCCCC#N ZINC000897036979 864328265 /nfs/dbraw/zinc/32/82/65/864328265.db2.gz DCFWHNKEZYRGCK-UHFFFAOYSA-N 1 0 386.414 3.515 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)[NH+](C)C)cc1 ZINC000184341376 864359513 /nfs/dbraw/zinc/35/95/13/864359513.db2.gz REGPYTJALMOWMU-OXJNMPFZSA-N 1 0 380.492 3.964 20 30 GHEDRO C=CC[C@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000734684594 864383437 /nfs/dbraw/zinc/38/34/37/864383437.db2.gz WEGYMFFLQYLKAF-VXKWHMMOSA-N 1 0 393.535 3.790 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000554500835 864451857 /nfs/dbraw/zinc/45/18/57/864451857.db2.gz OBEROTUSZHKIKN-CEQIKUNHSA-N 1 0 388.895 3.512 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735210982 864668566 /nfs/dbraw/zinc/66/85/66/864668566.db2.gz FAJVEDOAYHIROC-HXUWFJFHSA-N 1 0 394.471 3.544 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494491031 881790226 /nfs/dbraw/zinc/79/02/26/881790226.db2.gz DQAHYIOKUXEEFV-RZUBCFFCSA-N 1 0 387.907 3.928 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186326617 864830048 /nfs/dbraw/zinc/83/00/48/864830048.db2.gz QKTPROKACLFJGE-JOCHJYFZSA-N 1 0 376.504 3.610 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000173534188 864830122 /nfs/dbraw/zinc/83/01/22/864830122.db2.gz DEYGYHQHZUNPEZ-UHFFFAOYSA-N 1 0 377.419 3.773 20 30 GHEDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000554748927 864851810 /nfs/dbraw/zinc/85/18/10/864851810.db2.gz DZYJITSORQKGGC-BTYIYWSLSA-N 1 0 389.565 3.558 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081516363 864872900 /nfs/dbraw/zinc/87/29/00/864872900.db2.gz XUJHXPJFRWMUEY-LEWJYISDSA-N 1 0 384.568 3.602 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000063511842 864883948 /nfs/dbraw/zinc/88/39/48/864883948.db2.gz WAMKNRQCCFJSMD-UHFFFAOYSA-N 1 0 376.545 3.756 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000532334053 881813498 /nfs/dbraw/zinc/81/34/98/881813498.db2.gz KPSNVQPNEDYCKV-BEFAXECRSA-N 1 0 377.513 3.922 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)cc(OC)c1O ZINC000608069367 864960350 /nfs/dbraw/zinc/96/03/50/864960350.db2.gz BYDQGWJGJHYNEK-HXUWFJFHSA-N 1 0 377.488 3.936 20 30 GHEDRO C=CCCOCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455950964 865032406 /nfs/dbraw/zinc/03/24/06/865032406.db2.gz YUOBMDCWVJWHMZ-UHFFFAOYSA-N 1 0 381.904 3.527 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000554847623 865032938 /nfs/dbraw/zinc/03/29/38/865032938.db2.gz BBSJHGXIRODKKN-JKSUJKDBSA-N 1 0 385.895 3.788 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1C#N ZINC000567467850 865051639 /nfs/dbraw/zinc/05/16/39/865051639.db2.gz SGEQVXPYFMPTBM-WIYYLYMNSA-N 1 0 398.551 3.921 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000735938004 865062213 /nfs/dbraw/zinc/06/22/13/865062213.db2.gz RJUPKXYKSMJHCR-GOSISDBHSA-N 1 0 390.483 3.569 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000735939927 865063856 /nfs/dbraw/zinc/06/38/56/865063856.db2.gz MHBSMBUINHKVEA-UHFFFAOYSA-N 1 0 384.520 3.760 20 30 GHEDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(-c2ccnn2C)c1 ZINC000554874935 865075305 /nfs/dbraw/zinc/07/53/05/865075305.db2.gz PWOYUHJHVROSOW-UHFFFAOYSA-N 1 0 387.531 3.831 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000189405204 881845396 /nfs/dbraw/zinc/84/53/96/881845396.db2.gz DDBVWHURJVWGKH-UHFFFAOYSA-N 1 0 383.458 3.933 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000063722031 865240232 /nfs/dbraw/zinc/24/02/32/865240232.db2.gz SEXSYULWGCFNGK-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCCCOc2ccc(Br)cc2)CC1 ZINC000171716657 865342747 /nfs/dbraw/zinc/34/27/47/865342747.db2.gz LSCXNQWBSKBYKJ-UHFFFAOYSA-N 1 0 395.341 3.765 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899124223 865344073 /nfs/dbraw/zinc/34/40/73/865344073.db2.gz QTOBXLVLFDFWHE-CZYKHXBRSA-N 1 0 380.536 3.622 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)CC1 ZINC000171723314 865345167 /nfs/dbraw/zinc/34/51/67/865345167.db2.gz AAZIJLSFQPQXHK-UHFFFAOYSA-N 1 0 394.544 3.835 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)c(OCCCC)c(OC)c2)CC1 ZINC000171726548 865346090 /nfs/dbraw/zinc/34/60/90/865346090.db2.gz MEQUTRIWBOJOOD-UHFFFAOYSA-N 1 0 380.916 3.908 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC001168425021 865465990 /nfs/dbraw/zinc/46/59/90/865465990.db2.gz ZFRBIDUKZGHKRR-SJLPKXTDSA-N 1 0 393.325 3.530 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cccc(OC(F)F)c1)[n+]1cccc(C)c1 ZINC000737998591 865468606 /nfs/dbraw/zinc/46/86/06/865468606.db2.gz BHIWEZAXUMQBNM-UHFFFAOYSA-O 1 0 377.436 3.871 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)[C@H]1c1cccs1 ZINC000594230886 865487970 /nfs/dbraw/zinc/48/79/70/865487970.db2.gz MACZFDKOYMXTBW-UZLBHIALSA-N 1 0 380.517 3.728 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[N@@H+](C3CCCC3)CC2)nc1-c1ccncc1 ZINC000738269387 865511182 /nfs/dbraw/zinc/51/11/82/865511182.db2.gz MYGPMKJJXSZSTO-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000738441025 865541628 /nfs/dbraw/zinc/54/16/28/865541628.db2.gz YTHFVHCWDWAKRG-VWLOTQADSA-N 1 0 398.506 3.716 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000594288143 865714586 /nfs/dbraw/zinc/71/45/86/865714586.db2.gz MBBTXEVPBCCDIN-LJQANCHMSA-N 1 0 391.515 3.528 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(C#N)cc1 ZINC000739990884 865821659 /nfs/dbraw/zinc/82/16/59/865821659.db2.gz TZJPLMVYSFSNSN-FDDCHVKYSA-N 1 0 391.515 3.937 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740482910 865928725 /nfs/dbraw/zinc/92/87/25/865928725.db2.gz IHABCUHZKSFXTP-KRWDZBQOSA-N 1 0 382.533 3.770 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000494567457 881922015 /nfs/dbraw/zinc/92/20/15/881922015.db2.gz SYECTHMFJJBUFH-HSZRJFAPSA-N 1 0 380.532 3.756 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000740736160 865975268 /nfs/dbraw/zinc/97/52/68/865975268.db2.gz HCGSJFDBUHDFSR-UHFFFAOYSA-N 1 0 389.710 3.630 20 30 GHEDRO N#CCSc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000121109350 881927358 /nfs/dbraw/zinc/92/73/58/881927358.db2.gz IYNPDFDMWKJXFZ-UHFFFAOYSA-N 1 0 395.528 3.759 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000456015646 866025520 /nfs/dbraw/zinc/02/55/20/866025520.db2.gz AVRZVECYADFHNV-JOCHJYFZSA-N 1 0 375.516 3.765 20 30 GHEDRO C[C@H](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+]1CCCCC1 ZINC000183109772 866211511 /nfs/dbraw/zinc/21/15/11/866211511.db2.gz QUKMQSRHFXZFAQ-QGZVFWFLSA-N 1 0 381.476 3.725 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)CCc3ccc(C#N)cc3)CC[N@@H+]2C)cc1 ZINC000741122665 866246790 /nfs/dbraw/zinc/24/67/90/866246790.db2.gz DHYORPCPBHPEOR-NZQKXSOJSA-N 1 0 378.472 3.736 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000456251612 866277838 /nfs/dbraw/zinc/27/78/38/866277838.db2.gz ACUCDXYJWXFCHD-JOCHJYFZSA-N 1 0 385.471 3.854 20 30 GHEDRO C=C(C)[C@H](CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)OCC ZINC000534225738 866337517 /nfs/dbraw/zinc/33/75/17/866337517.db2.gz JOFRFQKCAUBPCZ-BPAFIMBUSA-N 1 0 382.907 3.959 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000741332902 866418965 /nfs/dbraw/zinc/41/89/65/866418965.db2.gz BFJOJINWDBRSBL-QGZVFWFLSA-N 1 0 393.487 3.974 20 30 GHEDRO CCc1ccc(NC(=O)CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000109213839 881977838 /nfs/dbraw/zinc/97/78/38/881977838.db2.gz UGBIETVZTHSDLG-UHFFFAOYSA-N 1 0 394.519 3.511 20 30 GHEDRO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000478715698 866523040 /nfs/dbraw/zinc/52/30/40/866523040.db2.gz FPUSHZRXDKUNFA-HNNXBMFYSA-N 1 0 389.550 3.807 20 30 GHEDRO C=CCN(C(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)C1CC1 ZINC000553022293 866639397 /nfs/dbraw/zinc/63/93/97/866639397.db2.gz RGEWTRGFQHOBIS-RTBURBONSA-N 1 0 385.552 3.556 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2csc(COc3ccc(OC)cc3)n2)CC1 ZINC000113338762 866754529 /nfs/dbraw/zinc/75/45/29/866754529.db2.gz VJOJLMJCMJKMKR-UHFFFAOYSA-N 1 0 387.549 3.861 20 30 GHEDRO CC(C)c1ccc([C@@H](C)N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)cc1 ZINC000741806853 866801153 /nfs/dbraw/zinc/80/11/53/866801153.db2.gz RNWILSINWCACAB-GOSISDBHSA-N 1 0 391.519 3.979 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183572344 866856121 /nfs/dbraw/zinc/85/61/21/866856121.db2.gz OEIDULDWTMMBAP-SGIJDJSVSA-N 1 0 393.535 3.842 20 30 GHEDRO N#CCc1ccccc1CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000776914822 882024532 /nfs/dbraw/zinc/02/45/32/882024532.db2.gz FVYZUDNIPMAFIR-UHFFFAOYSA-N 1 0 375.516 3.988 20 30 GHEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000542625833 866908554 /nfs/dbraw/zinc/90/85/54/866908554.db2.gz CSSHBKQODVKLHG-GFCCVEGCSA-N 1 0 377.897 3.731 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccc(C#N)cc1 ZINC000444587947 866931140 /nfs/dbraw/zinc/93/11/40/866931140.db2.gz BQIZSLJGFTZAJS-UHFFFAOYSA-N 1 0 375.516 3.991 20 30 GHEDRO N#CCC[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000153645296 867002172 /nfs/dbraw/zinc/00/21/72/867002172.db2.gz KABTULJRTQDIQC-QHCPKHFHSA-N 1 0 390.531 3.750 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000456706692 867045494 /nfs/dbraw/zinc/04/54/94/867045494.db2.gz IURBXYMXTPHTAL-FQEVSTJZSA-N 1 0 380.536 3.600 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000742119494 867061375 /nfs/dbraw/zinc/06/13/75/867061375.db2.gz XWLRQLSXYXCRRG-MFUYTVRRSA-N 1 0 384.520 3.608 20 30 GHEDRO C=CC[C@@H]1[N@H+](CC(=O)N2CCc3cc(OC)c(OC)cc3C2)CCCC1(C)C ZINC000444777969 867222179 /nfs/dbraw/zinc/22/21/79/867222179.db2.gz USDWOMGEMBUKOS-NRFANRHFSA-N 1 0 386.536 3.655 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccc(Br)c2)C(C)C)CC1 ZINC000742368289 867240116 /nfs/dbraw/zinc/24/01/16/867240116.db2.gz FAPNIHSUPYYRHQ-UHFFFAOYSA-N 1 0 377.326 3.531 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508509074 867278863 /nfs/dbraw/zinc/27/88/63/867278863.db2.gz ZEKLXAQRSZENFB-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO N#CC1(NC(=O)c2ccc(-c3cnco3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479281831 867478207 /nfs/dbraw/zinc/47/82/07/867478207.db2.gz PEVCPLXACWIBGI-UHFFFAOYSA-N 1 0 386.455 3.630 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154941553 867675266 /nfs/dbraw/zinc/67/52/66/867675266.db2.gz RJSIOXFRHLGAGB-CTNGQTDRSA-N 1 0 376.504 3.898 20 30 GHEDRO CC[N@H+](CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)C(C)C ZINC000523660705 867732781 /nfs/dbraw/zinc/73/27/81/867732781.db2.gz XMOFMJNPUVMVIH-UHFFFAOYSA-N 1 0 381.524 3.541 20 30 GHEDRO COc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000442689064 867881936 /nfs/dbraw/zinc/88/19/36/867881936.db2.gz GDRXOBSRWVEURL-KRWDZBQOSA-N 1 0 377.488 3.656 20 30 GHEDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)nc1 ZINC000091687408 882152032 /nfs/dbraw/zinc/15/20/32/882152032.db2.gz ZFWDTCNBSQGOPC-QGZVFWFLSA-N 1 0 378.476 3.532 20 30 GHEDRO CCCN(C(=O)c1ccc(C#N)c(C)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195366551 882171134 /nfs/dbraw/zinc/17/11/34/882171134.db2.gz OMUMKKPRIRSCFG-OAQYLSRUSA-N 1 0 376.504 3.779 20 30 GHEDRO N#CCCC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000457456194 868293855 /nfs/dbraw/zinc/29/38/55/868293855.db2.gz WAGIBROBEMJOBH-NRFANRHFSA-N 1 0 398.551 3.756 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743872027 868469404 /nfs/dbraw/zinc/46/94/04/868469404.db2.gz OQNOTWFWPMXVEJ-AWEZNQCLSA-N 1 0 383.330 3.790 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508844897 868500805 /nfs/dbraw/zinc/50/08/05/868500805.db2.gz LIOQJUHTIYXWET-LJQANCHMSA-N 1 0 383.540 3.520 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000669807188 868524070 /nfs/dbraw/zinc/52/40/70/868524070.db2.gz FQKCZXOTIQKPGH-LJQANCHMSA-N 1 0 390.535 3.601 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542630991 868640086 /nfs/dbraw/zinc/64/00/86/868640086.db2.gz ROKMMDOEOHGIIE-QZTJIDSGSA-N 1 0 387.480 3.940 20 30 GHEDRO C=CC[N@H+](CCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000744211297 868667327 /nfs/dbraw/zinc/66/73/27/868667327.db2.gz KVFOPMOQKAQWHW-HXUWFJFHSA-N 1 0 382.467 3.954 20 30 GHEDRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)ccc1C#N ZINC000440818123 868754872 /nfs/dbraw/zinc/75/48/72/868754872.db2.gz GERDNYZBJOFAAU-QHCPKHFHSA-N 1 0 399.494 3.584 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669815372 868802566 /nfs/dbraw/zinc/80/25/66/868802566.db2.gz KNRNOJBAMGSCAB-HKUYNNGSSA-N 1 0 383.540 3.751 20 30 GHEDRO NC(=[NH+]OCc1nnc(-c2cccc(F)c2)o1)c1ccc(N2CCCCC2)cc1 ZINC000744445824 868848038 /nfs/dbraw/zinc/84/80/38/868848038.db2.gz IBSWJJZJLYEDMT-UHFFFAOYSA-N 1 0 395.438 3.703 20 30 GHEDRO NC(=[NH+]OCc1ccc(-n2cccn2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000744446205 868848107 /nfs/dbraw/zinc/84/81/07/868848107.db2.gz SOEZUCYEUZQHHP-UHFFFAOYSA-N 1 0 375.476 3.700 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000609082893 868962873 /nfs/dbraw/zinc/96/28/73/868962873.db2.gz CIWHTEKFJAUZID-HZSPNIEDSA-N 1 0 380.439 3.648 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000537636961 882251229 /nfs/dbraw/zinc/25/12/29/882251229.db2.gz VNOGWVDTYUYOAS-QHCPKHFHSA-N 1 0 391.515 3.828 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000457929320 869000659 /nfs/dbraw/zinc/00/06/59/869000659.db2.gz NIMQTWFNHGFJOJ-FCHUYYIVSA-N 1 0 378.520 3.894 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCCOC3)sc2c1CCCCC2 ZINC000585756229 882251169 /nfs/dbraw/zinc/25/11/69/882251169.db2.gz NJDWJGUCPZUXLZ-NRFANRHFSA-N 1 0 387.549 3.720 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000524520912 869219895 /nfs/dbraw/zinc/21/98/95/869219895.db2.gz JPOBMZNUUFHLAT-OALUTQOASA-N 1 0 391.515 3.987 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445997638 869268988 /nfs/dbraw/zinc/26/89/88/869268988.db2.gz ZWNRGBHQHMWZRG-OLMNPRSZSA-N 1 0 381.442 3.939 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000524892689 869711721 /nfs/dbraw/zinc/71/17/21/869711721.db2.gz JMUFIYOLPXZKDD-NHCUHLMSSA-N 1 0 383.536 3.624 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000524892687 869711907 /nfs/dbraw/zinc/71/19/07/869711907.db2.gz JMUFIYOLPXZKDD-LEWJYISDSA-N 1 0 383.536 3.624 20 30 GHEDRO C=C[C@@](C)(CC)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000190997473 882335389 /nfs/dbraw/zinc/33/53/89/882335389.db2.gz MAQGTKTXKBKBMJ-QHCPKHFHSA-N 1 0 378.520 3.945 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)NC1CC[NH+](C)CC1 ZINC000745724211 869768550 /nfs/dbraw/zinc/76/85/50/869768550.db2.gz MKDWMLWLJUREPG-UHFFFAOYSA-N 1 0 396.535 3.981 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920761631 882364447 /nfs/dbraw/zinc/36/44/47/882364447.db2.gz NXWXSHWYVSSCNI-HKUYNNGSSA-N 1 0 392.341 3.510 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000462786946 870077837 /nfs/dbraw/zinc/07/78/37/870077837.db2.gz FUZGPRDCFGJVKF-HZPDHXFCSA-N 1 0 381.480 3.607 20 30 GHEDRO COc1cc(C[NH2+]CCOc2ccc(C#N)cc2)ccc1OCC(F)(F)F ZINC000525195137 870177823 /nfs/dbraw/zinc/17/78/23/870177823.db2.gz WTFSVJNPAMANSJ-UHFFFAOYSA-N 1 0 380.366 3.677 20 30 GHEDRO CC[C@@H](O)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000441078854 870211094 /nfs/dbraw/zinc/21/10/94/870211094.db2.gz JMGNPJDVQNTQFF-LJQANCHMSA-N 1 0 385.895 3.813 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000540054138 870318750 /nfs/dbraw/zinc/31/87/50/870318750.db2.gz RLCVACFHQJLAIR-UHFFFAOYSA-N 1 0 398.334 3.846 20 30 GHEDRO COc1cccc(C2(NCc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)c1 ZINC000775525124 870325994 /nfs/dbraw/zinc/32/59/94/870325994.db2.gz XKEMRJZQKDLJAB-GOSISDBHSA-N 1 0 384.439 3.511 20 30 GHEDRO CC(C)[NH+](CCN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000505900371 870634454 /nfs/dbraw/zinc/63/44/54/870634454.db2.gz FDFGILIBOIIYMS-UHFFFAOYSA-N 1 0 378.948 3.637 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)C(C)C ZINC000248827110 870652822 /nfs/dbraw/zinc/65/28/22/870652822.db2.gz MBPRCAWHLUKGAQ-YPAWHYETSA-N 1 0 385.552 3.905 20 30 GHEDRO C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c2c(F)cccc2Cl)CCO1 ZINC000248911621 870688489 /nfs/dbraw/zinc/68/84/89/870688489.db2.gz VLSSWGXWZCGJBS-YKTARERQSA-N 1 0 379.907 3.913 20 30 GHEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000248919306 870693023 /nfs/dbraw/zinc/69/30/23/870693023.db2.gz KMISVDDTJJPFBJ-IRXDYDNUSA-N 1 0 398.341 3.766 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000249080145 870747452 /nfs/dbraw/zinc/74/74/52/870747452.db2.gz RNIUVALJCWTRLA-AGHHOFFYSA-N 1 0 389.442 3.553 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000544415510 870807815 /nfs/dbraw/zinc/80/78/15/870807815.db2.gz SCAZAXSZWNLNPR-HXUWFJFHSA-N 1 0 375.497 3.810 20 30 GHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc(OC)c1OC ZINC000487527824 870829890 /nfs/dbraw/zinc/82/98/90/870829890.db2.gz GNVBPIAMJSRPRR-UHFFFAOYSA-N 1 0 396.531 3.945 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000461744565 870897631 /nfs/dbraw/zinc/89/76/31/870897631.db2.gz GNFNHEZGCAWSLV-HTAPYJJXSA-N 1 0 377.488 3.624 20 30 GHEDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CN1C(=O)OC(C)(C)C ZINC001168871069 870923243 /nfs/dbraw/zinc/92/32/43/870923243.db2.gz GRDTZHRXOKWYEO-KPFFTGBYSA-N 1 0 385.508 3.799 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000181388407 870958425 /nfs/dbraw/zinc/95/84/25/870958425.db2.gz DZUIVRCWVCFTJH-RUZDIDTESA-N 1 0 388.559 3.949 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000181427986 871002337 /nfs/dbraw/zinc/00/23/37/871002337.db2.gz ZGTVVVXSOVKSOI-FUHWJXTLSA-N 1 0 386.536 3.815 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCCN3CCc4ccccc4C3)CC2)cc1 ZINC000181436685 871012543 /nfs/dbraw/zinc/01/25/43/871012543.db2.gz RHSQMXPJFDRORG-UHFFFAOYSA-N 1 0 388.559 3.561 20 30 GHEDRO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)c(C)n2n1 ZINC000538987805 871056365 /nfs/dbraw/zinc/05/63/65/871056365.db2.gz LYNRIVXTMVYVIL-YJBOKZPZSA-N 1 0 392.482 3.677 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033683 871110210 /nfs/dbraw/zinc/11/02/10/871110210.db2.gz DITHYOYWTKSMGD-YOEHRIQHSA-N 1 0 392.297 3.752 20 30 GHEDRO CCN(CC)c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181541847 871158130 /nfs/dbraw/zinc/15/81/30/871158130.db2.gz IGPSRCGRECAJAD-UHFFFAOYSA-N 1 0 377.536 3.554 20 30 GHEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001193663898 871221949 /nfs/dbraw/zinc/22/19/49/871221949.db2.gz VIETZLVETSHPQX-OAQYLSRUSA-N 1 0 398.938 3.896 20 30 GHEDRO CCCC[N@H+](CCCO)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000540423956 871249840 /nfs/dbraw/zinc/24/98/40/871249840.db2.gz USXQHOMZEQVXTN-HNNXBMFYSA-N 1 0 377.554 3.700 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000540424926 871250960 /nfs/dbraw/zinc/25/09/60/871250960.db2.gz HXVSTTUNBNLJJI-SFHVURJKSA-N 1 0 380.414 3.648 20 30 GHEDRO N#Cc1cccc([C@H](O)C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC001193840271 871307987 /nfs/dbraw/zinc/30/79/87/871307987.db2.gz YARLNZYKQWGMNQ-IAGOWNOFSA-N 1 0 384.785 3.587 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CCC[C@@H](C#N)C3)c2)cc1 ZINC000463293603 871351150 /nfs/dbraw/zinc/35/11/50/871351150.db2.gz LCBGENAHUNNQJD-IEBWSBKVSA-N 1 0 393.487 3.998 20 30 GHEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000181701461 871401172 /nfs/dbraw/zinc/40/11/72/871401172.db2.gz YXZUUIFGDFGJAK-HXUWFJFHSA-N 1 0 386.517 3.718 20 30 GHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000441257122 871588277 /nfs/dbraw/zinc/58/82/77/871588277.db2.gz BRSNJQJBZGDHNT-PMACEKPBSA-N 1 0 386.540 3.968 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000540591651 871649163 /nfs/dbraw/zinc/64/91/63/871649163.db2.gz GAADRQOIXJISPF-QFIPXVFZSA-N 1 0 394.519 3.693 20 30 GHEDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC001169592929 871654033 /nfs/dbraw/zinc/65/40/33/871654033.db2.gz KWXBOULWPQBFLD-JOCHJYFZSA-N 1 0 387.524 3.508 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000525946240 871743111 /nfs/dbraw/zinc/74/31/11/871743111.db2.gz NLRODOBXKLOOPP-IBGZPJMESA-N 1 0 381.520 3.583 20 30 GHEDRO C=CCOc1cccnc1C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539358944 871757950 /nfs/dbraw/zinc/75/79/50/871757950.db2.gz YMFYWILYGHQQLB-FQEVSTJZSA-N 1 0 379.504 3.631 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1F ZINC001194551838 871785156 /nfs/dbraw/zinc/78/51/56/871785156.db2.gz RMTKGJVHPQBLIT-KRWDZBQOSA-N 1 0 397.494 3.633 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000447546184 871819027 /nfs/dbraw/zinc/81/90/27/871819027.db2.gz ZRKGIMGNQTUMBS-FGZHOGPDSA-N 1 0 377.488 3.708 20 30 GHEDRO C[C@H](CCc1ccccc1F)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000463487838 871872343 /nfs/dbraw/zinc/87/23/43/871872343.db2.gz AVVQPZNIYBYSEQ-GOSISDBHSA-N 1 0 381.495 3.856 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000447592465 871902693 /nfs/dbraw/zinc/90/26/93/871902693.db2.gz LQYQPGCQZSZOCM-LEWJYISDSA-N 1 0 390.443 3.629 20 30 GHEDRO CCCCCCCCOC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001194744834 871904236 /nfs/dbraw/zinc/90/42/36/871904236.db2.gz BLJSSWAOYWENMJ-UHFFFAOYSA-N 1 0 377.529 3.710 20 30 GHEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NC1CC1)[n+]1ccc2c(c1)CCCC2 ZINC000022688385 871908056 /nfs/dbraw/zinc/90/80/56/871908056.db2.gz RMNKCCZLIWZMCO-UHFFFAOYSA-O 1 0 387.475 3.822 20 30 GHEDRO CN(CC[N@H+](C)Cc1ccccc1)C(=O)c1ccc(C#CBr)cc1 ZINC001194807085 871961181 /nfs/dbraw/zinc/96/11/81/871961181.db2.gz YMNVXHRTKICFCO-UHFFFAOYSA-N 1 0 385.305 3.595 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](C[C@H](O)c3cccc(C#N)c3)CC2)C1 ZINC001194835391 871981065 /nfs/dbraw/zinc/98/10/65/871981065.db2.gz SRDJFFBCVBWEBP-RTWAWAEBSA-N 1 0 399.535 3.561 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618797763 872004907 /nfs/dbraw/zinc/00/49/07/872004907.db2.gz UMHVXOPSOTYXGG-JOCHJYFZSA-N 1 0 376.504 3.887 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@H]1c1cccs1 ZINC000618815714 872021839 /nfs/dbraw/zinc/02/18/39/872021839.db2.gz OUYUZXIWZLYLCD-QFUCXCTJSA-N 1 0 394.544 3.989 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000618819739 872025875 /nfs/dbraw/zinc/02/58/75/872025875.db2.gz LMAUWCWLAGNVIQ-WOJBJXKFSA-N 1 0 382.895 3.801 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)c2)c1 ZINC000093278575 872040267 /nfs/dbraw/zinc/04/02/67/872040267.db2.gz LNMBVCQAGIAECZ-QFIPXVFZSA-N 1 0 389.499 3.724 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2C[C@H](OCC)C23CCC3)cc1 ZINC000477867814 872047811 /nfs/dbraw/zinc/04/78/11/872047811.db2.gz UKKRKYHIEHRKJT-RTWAWAEBSA-N 1 0 399.535 3.611 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000552198608 872191787 /nfs/dbraw/zinc/19/17/87/872191787.db2.gz SQKJMNILHKLGMP-XZOQPEGZSA-N 1 0 396.494 3.660 20 30 GHEDRO CO[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1Cl ZINC000618966660 872191915 /nfs/dbraw/zinc/19/19/15/872191915.db2.gz YDZAMYQDHHUVHE-FQEVSTJZSA-N 1 0 395.894 3.989 20 30 GHEDRO CC1(C)CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@H]1C#N ZINC000552191345 872219638 /nfs/dbraw/zinc/21/96/38/872219638.db2.gz AQBAUOIRWGFIPS-MSOLQXFVSA-N 1 0 375.463 3.685 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCC1CCOCC1 ZINC000447789622 872303196 /nfs/dbraw/zinc/30/31/96/872303196.db2.gz VOCNXPOVRZEWJV-UHFFFAOYSA-N 1 0 378.586 3.791 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3ncc(Cl)cc3Cl)CC2)cc1 ZINC000552276421 872376248 /nfs/dbraw/zinc/37/62/48/872376248.db2.gz WYCRSQHCSHGMBD-UHFFFAOYSA-N 1 0 391.302 3.897 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NCCOC)cc1 ZINC000022794120 872389817 /nfs/dbraw/zinc/38/98/17/872389817.db2.gz NXLCAYMNJCSNPS-UHFFFAOYSA-O 1 0 397.564 3.590 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001195429011 872417541 /nfs/dbraw/zinc/41/75/41/872417541.db2.gz ZBNAYFIAVGNLMW-HSZRJFAPSA-N 1 0 390.531 3.872 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCOC2)cc1OCC ZINC000093839814 872447656 /nfs/dbraw/zinc/44/76/56/872447656.db2.gz LRFCQFSHSILGPR-CQSZACIVSA-N 1 0 384.314 3.881 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H](C)OC2(CCCCC2)C1 ZINC001195650881 872557963 /nfs/dbraw/zinc/55/79/63/872557963.db2.gz RTBPTWFSFUJVCS-JMDAGXMHSA-N 1 0 375.557 3.729 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000552404017 872623426 /nfs/dbraw/zinc/62/34/26/872623426.db2.gz QLVXZSROIKHFBL-UHFFFAOYSA-N 1 0 394.494 3.923 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000619439164 872630242 /nfs/dbraw/zinc/63/02/42/872630242.db2.gz JAYUWRYHDRJNPY-UHFFFAOYSA-N 1 0 383.536 3.500 20 30 GHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)c2cccc(CC#N)c2)c2ccccc2)CC1 ZINC000619478097 872673344 /nfs/dbraw/zinc/67/33/44/872673344.db2.gz GPOOKYWNANHTBT-JOCHJYFZSA-N 1 0 397.544 3.504 20 30 GHEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000619611757 872784273 /nfs/dbraw/zinc/78/42/73/872784273.db2.gz QCPFYSMJGSVVHQ-PMACEKPBSA-N 1 0 387.483 3.688 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC[C@@H]1CCCO1 ZINC000527212976 872815409 /nfs/dbraw/zinc/81/54/09/872815409.db2.gz WCBYLQCHBWDJTJ-GJZGRUSLSA-N 1 0 375.538 3.717 20 30 GHEDRO N#CC1CCC(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000619659548 872833861 /nfs/dbraw/zinc/83/38/61/872833861.db2.gz UTACYNVKSUDKQG-XJDRTWLVSA-N 1 0 394.563 3.916 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541075319 872861482 /nfs/dbraw/zinc/86/14/82/872861482.db2.gz RTXMBDUOSLDZQA-GAJHUEQPSA-N 1 0 399.498 3.805 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1OC(F)(F)F ZINC000619666491 872878205 /nfs/dbraw/zinc/87/82/05/872878205.db2.gz GNHNHPNXNGVTAE-HNNXBMFYSA-N 1 0 382.386 3.549 20 30 GHEDRO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)[nH]n1 ZINC000541112793 872972547 /nfs/dbraw/zinc/97/25/47/872972547.db2.gz ZYGYUBQKGOEGRV-IBGZPJMESA-N 1 0 393.535 3.850 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619749148 872985673 /nfs/dbraw/zinc/98/56/73/872985673.db2.gz ZSPURROJOKXIOY-UHFFFAOYSA-N 1 0 389.330 3.907 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)NCCc3c[nH]c4cc[nH+]cc34)c2)c1 ZINC001196329828 873036694 /nfs/dbraw/zinc/03/66/94/873036694.db2.gz HQHSNQPISSYHSX-UHFFFAOYSA-N 1 0 382.423 3.780 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000619810488 873065973 /nfs/dbraw/zinc/06/59/73/873065973.db2.gz CWRKBCDEJHSHMW-QGZVFWFLSA-N 1 0 388.924 3.909 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000619849318 873116338 /nfs/dbraw/zinc/11/63/38/873116338.db2.gz JOJKCSKTAGAWOF-HXUWFJFHSA-N 1 0 378.524 3.537 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1F)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443488098 873129398 /nfs/dbraw/zinc/12/93/98/873129398.db2.gz IJUOYESLEIXCCX-UHFFFAOYSA-N 1 0 393.422 3.722 20 30 GHEDRO COc1nc(C)cc(C)c1C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001196451023 873136123 /nfs/dbraw/zinc/13/61/23/873136123.db2.gz XLXMHANZOGTWQD-UHFFFAOYSA-N 1 0 386.883 3.693 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)c1 ZINC000541222204 873182466 /nfs/dbraw/zinc/18/24/66/873182466.db2.gz QZKWJXUNPOMFSX-UHFFFAOYSA-N 1 0 395.890 3.997 20 30 GHEDRO N#Cc1cccnc1C(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001196553519 873208523 /nfs/dbraw/zinc/20/85/23/873208523.db2.gz QJNKRDDCVJIFLV-HSZRJFAPSA-N 1 0 396.494 3.870 20 30 GHEDRO CN(C1CC[NH+](C2CCCCC2)CC1)S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196675309 873303146 /nfs/dbraw/zinc/30/31/46/873303146.db2.gz DFIZOFGDXSJJOY-UHFFFAOYSA-N 1 0 395.956 3.629 20 30 GHEDRO N#Cc1nc(Nc2cccc(C[NH+]3CCSCC3)c2)ccc1C(F)(F)F ZINC000443517926 873407035 /nfs/dbraw/zinc/40/70/35/873407035.db2.gz QUHGGJRFCVMVOV-UHFFFAOYSA-N 1 0 378.423 3.686 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000768797218 873588717 /nfs/dbraw/zinc/58/87/17/873588717.db2.gz HFHPHUKSTDAVHF-KRWDZBQOSA-N 1 0 383.879 3.598 20 30 GHEDRO N#Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1Br ZINC000448607036 873662098 /nfs/dbraw/zinc/66/20/98/873662098.db2.gz QMTROQLMSANCPK-SFHVURJKSA-N 1 0 398.304 3.888 20 30 GHEDRO CC(C)(C)OCCC[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC001197334886 873748589 /nfs/dbraw/zinc/74/85/89/873748589.db2.gz DNKUUWOKOUKGQC-UHFFFAOYSA-N 1 0 394.357 3.644 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000769025315 873749608 /nfs/dbraw/zinc/74/96/08/873749608.db2.gz LJIPZGYRKFWWEX-UHFFFAOYSA-N 1 0 376.500 3.535 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(Br)cc1C#N ZINC000448708400 873832541 /nfs/dbraw/zinc/83/25/41/873832541.db2.gz KVUQMNDNBSWMDE-AWEZNQCLSA-N 1 0 378.314 3.705 20 30 GHEDRO C=CCOc1ccc(CN2CCCN(C(=O)OCC(C)C)CC2)cc1OC ZINC000769226130 873904940 /nfs/dbraw/zinc/90/49/40/873904940.db2.gz SMNRHMGMUJCUSK-UHFFFAOYSA-N 1 0 376.497 3.560 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448776691 873952910 /nfs/dbraw/zinc/95/29/10/873952910.db2.gz YGXBGNAGJDXBKX-ZIAGYGMSSA-N 1 0 392.341 3.807 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000448808858 873973060 /nfs/dbraw/zinc/97/30/60/873973060.db2.gz BXEASYAQIAAOEL-MOPGFXCFSA-N 1 0 396.453 3.719 20 30 GHEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000769404241 874025513 /nfs/dbraw/zinc/02/55/13/874025513.db2.gz PWKFGCNGHKMIFT-JOCHJYFZSA-N 1 0 376.504 3.664 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000528151084 874091721 /nfs/dbraw/zinc/09/17/21/874091721.db2.gz WWVVPAKIVQHKBH-QFIPXVFZSA-N 1 0 378.520 3.764 20 30 GHEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC1 ZINC000769812745 874304528 /nfs/dbraw/zinc/30/45/28/874304528.db2.gz PODCGEQYBITZJP-RHSMWYFYSA-N 1 0 399.543 3.729 20 30 GHEDRO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001198309435 874370870 /nfs/dbraw/zinc/37/08/70/874370870.db2.gz JZVTWQUOPPCTJO-JOCHJYFZSA-N 1 0 385.508 3.721 20 30 GHEDRO CN(c1ccccc1)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000595825695 874392481 /nfs/dbraw/zinc/39/24/81/874392481.db2.gz FLDJXWIRJVYBDT-KRWDZBQOSA-N 1 0 394.544 3.648 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)nn1-c1cccc(C#N)c1 ZINC000541889383 874468103 /nfs/dbraw/zinc/46/81/03/874468103.db2.gz NRBCSCNGCWIFDN-UHFFFAOYSA-N 1 0 399.498 3.795 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000449147194 874534682 /nfs/dbraw/zinc/53/46/82/874534682.db2.gz FVRSSHFKKDMBDG-CRPOECCBSA-N 1 0 381.398 3.753 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775882997 874536579 /nfs/dbraw/zinc/53/65/79/874536579.db2.gz OMRLMACMLRXYFB-QGZVFWFLSA-N 1 0 376.504 3.831 20 30 GHEDRO CN(Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843608 874619545 /nfs/dbraw/zinc/61/95/45/874619545.db2.gz WWSBXTUMVQIASG-FQEVSTJZSA-N 1 0 387.487 3.562 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3cc(C#N)ccc3F)cc2)CC1 ZINC000465557422 882851134 /nfs/dbraw/zinc/85/11/34/882851134.db2.gz YQMKGVSAWPUKHR-UHFFFAOYSA-N 1 0 394.494 3.929 20 30 GHEDRO C=CCc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc(OC)c1O ZINC000770384919 874626822 /nfs/dbraw/zinc/62/68/22/874626822.db2.gz GNNCVKGCLVLDOA-RDJZCZTQSA-N 1 0 390.524 3.864 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001198957006 874727668 /nfs/dbraw/zinc/72/76/68/874727668.db2.gz JBKPPWOFRUOBSC-IBGZPJMESA-N 1 0 378.476 3.661 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ccc(F)c(Cl)c2)c(-c2ccncc2)n1 ZINC000449399879 874817057 /nfs/dbraw/zinc/81/70/57/874817057.db2.gz FCNBDWOEXIFWEJ-UHFFFAOYSA-N 1 0 399.857 3.820 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3cc(Cl)c(OC(C)C)c(OC)c3)no2)CC1 ZINC000770840432 874908242 /nfs/dbraw/zinc/90/82/42/874908242.db2.gz DXYAKFUYRFPKIN-UHFFFAOYSA-N 1 0 389.883 3.998 20 30 GHEDRO C=CCOc1cccc(C[NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000449520579 874991072 /nfs/dbraw/zinc/99/10/72/874991072.db2.gz FYKQSILRIUUDPH-UHFFFAOYSA-N 1 0 393.531 3.964 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)cc(OC)c1OC ZINC000105477949 875302221 /nfs/dbraw/zinc/30/22/21/875302221.db2.gz UIJUWCGFLWHERS-UHFFFAOYSA-N 1 0 378.476 3.518 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776093743 875330143 /nfs/dbraw/zinc/33/01/43/875330143.db2.gz XSYUFSBRBUKJCK-UYAOXDASSA-N 1 0 377.488 3.731 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000776096374 875335497 /nfs/dbraw/zinc/33/54/97/875335497.db2.gz ZETUZHYBPSRQBZ-OAQYLSRUSA-N 1 0 393.487 3.666 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc(OC)c1O ZINC001200864262 875368570 /nfs/dbraw/zinc/36/85/70/875368570.db2.gz USWKIAVFAYNODT-SFHVURJKSA-N 1 0 398.503 3.515 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ncc(C#N)cc3C)n2)cc1 ZINC000550963805 882926352 /nfs/dbraw/zinc/92/63/52/882926352.db2.gz VDAFJVMJNXTIRH-UHFFFAOYSA-N 1 0 377.448 3.699 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccsc1Br ZINC000449811968 875457657 /nfs/dbraw/zinc/45/76/57/875457657.db2.gz SZUAMRRJQBBMIH-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000449889384 875581369 /nfs/dbraw/zinc/58/13/69/875581369.db2.gz SKAKDFDAYNMHMD-FDZBUTDGSA-N 1 0 379.426 3.754 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)cc2)ccn1 ZINC000529103340 875617469 /nfs/dbraw/zinc/61/74/69/875617469.db2.gz MVJQRZFDBAKHGX-IBGZPJMESA-N 1 0 391.475 3.884 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001201314648 875626144 /nfs/dbraw/zinc/62/61/44/875626144.db2.gz NZFJMALSQWDVBR-PKOBYXMFSA-N 1 0 395.478 3.727 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)CC1 ZINC000151625584 875684349 /nfs/dbraw/zinc/68/43/49/875684349.db2.gz XVIBSTBSXMUGLJ-UHFFFAOYSA-N 1 0 394.425 3.792 20 30 GHEDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(OCC#N)cc1 ZINC000776170067 875688826 /nfs/dbraw/zinc/68/88/26/875688826.db2.gz IGBVQALLCWISBZ-ZFWWWQNUSA-N 1 0 387.842 3.838 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(COC)c(C#N)c1 ZINC000529215049 875841902 /nfs/dbraw/zinc/84/19/02/875841902.db2.gz BSYFQWQFZYLFSX-UHFFFAOYSA-N 1 0 380.492 3.868 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cnn(C)c1 ZINC001201852831 875888589 /nfs/dbraw/zinc/88/85/89/875888589.db2.gz NUGNDLSNVMCAHB-PKTZIBPZSA-N 1 0 390.616 3.878 20 30 GHEDRO CCCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001201840224 875899722 /nfs/dbraw/zinc/89/97/22/875899722.db2.gz XDILRVVXGCXGGV-NRSPTQNISA-N 1 0 382.564 3.892 20 30 GHEDRO COc1cccc2c1CCC[C@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC001201963793 875956121 /nfs/dbraw/zinc/95/61/21/875956121.db2.gz WEPKTPZXMYNXKS-UGKGYDQZSA-N 1 0 389.499 3.599 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000162341010 875984259 /nfs/dbraw/zinc/98/42/59/875984259.db2.gz MWPHQBWQEOXXFE-UWVAXJGDSA-N 1 0 398.551 3.524 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCCO1 ZINC001202074753 876004868 /nfs/dbraw/zinc/00/48/68/876004868.db2.gz UDWLOMIQGMBQNB-JSGCOSHPSA-N 1 0 378.188 3.618 20 30 GHEDRO Cc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000804523804 882986375 /nfs/dbraw/zinc/98/63/75/882986375.db2.gz BLLNHHIOUBJNOM-HRAATJIYSA-N 1 0 376.504 3.665 20 30 GHEDRO CC(C)[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000030477109 876085540 /nfs/dbraw/zinc/08/55/40/876085540.db2.gz QBNBOJQROCBIPE-AVRDEDQJSA-N 1 0 391.515 3.525 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccc(C)cc2C)cc1 ZINC000151912039 876104745 /nfs/dbraw/zinc/10/47/45/876104745.db2.gz BKVOSVSOVAKZMA-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001202295880 876115385 /nfs/dbraw/zinc/11/53/85/876115385.db2.gz QQYVBGZMGAKMLD-UHFFFAOYSA-N 1 0 396.457 3.529 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000492047138 876118069 /nfs/dbraw/zinc/11/80/69/876118069.db2.gz OHXKPVRUXDJBQY-HXUWFJFHSA-N 1 0 389.478 3.971 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271950187 876153015 /nfs/dbraw/zinc/15/30/15/876153015.db2.gz QXKKUSQSSHMDBT-CABCVRRESA-N 1 0 381.451 3.767 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000151929320 876168367 /nfs/dbraw/zinc/16/83/67/876168367.db2.gz HCXUOJGDCULCKS-INIZCTEOSA-O 1 0 393.536 3.560 20 30 GHEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000858335759 883033855 /nfs/dbraw/zinc/03/38/55/883033855.db2.gz GIPHKRYUQYQSFX-LBPRGKRZSA-N 1 0 392.240 3.577 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000850110558 876670036 /nfs/dbraw/zinc/67/00/36/876670036.db2.gz TZIPLLVQUASORA-SFHVURJKSA-N 1 0 388.515 3.959 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)([NH+](C)C)C1 ZINC000609211408 883058687 /nfs/dbraw/zinc/05/86/87/883058687.db2.gz DEXGJNJWNSRIPR-WZONZLPQSA-N 1 0 398.551 3.622 20 30 GHEDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)cc1 ZINC000850345583 876835952 /nfs/dbraw/zinc/83/59/52/876835952.db2.gz FNLLJNKHVDZMSV-IBGZPJMESA-N 1 0 395.503 3.755 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)cc1 ZINC000850416345 876896293 /nfs/dbraw/zinc/89/62/93/876896293.db2.gz ICVMAKXQNZPCPC-FDDCHVKYSA-N 1 0 380.488 3.963 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc(N2CCCC2)nc1Cl)C(C)C ZINC000746602411 876904849 /nfs/dbraw/zinc/90/48/49/876904849.db2.gz BOFASIQDGLIRCE-OAHLLOKOSA-N 1 0 396.988 3.825 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCC(NC(=O)OCC)CC2)cc(OC)c1OC ZINC000850441592 876925692 /nfs/dbraw/zinc/92/56/92/876925692.db2.gz CMTLGXJZJSXTQN-UHFFFAOYSA-N 1 0 376.497 3.579 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000786840705 877006363 /nfs/dbraw/zinc/00/63/63/877006363.db2.gz LWIPWMUXBDLNQY-JOCHJYFZSA-N 1 0 398.453 3.648 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(c3nccs3)CC2)ccc1OC ZINC000180817362 883099750 /nfs/dbraw/zinc/09/97/50/883099750.db2.gz RDFLPGCFOHRMCP-KRWDZBQOSA-N 1 0 386.521 3.591 20 30 GHEDRO N#CCCCOc1cccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000174694936 877183319 /nfs/dbraw/zinc/18/33/19/877183319.db2.gz VTKKHHBZETYPJO-UHFFFAOYSA-N 1 0 392.503 3.520 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000450999329 877205511 /nfs/dbraw/zinc/20/55/11/877205511.db2.gz CAJAVWJLZBFLOO-IEBWSBKVSA-N 1 0 380.467 3.735 20 30 GHEDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000443970243 877210750 /nfs/dbraw/zinc/21/07/50/877210750.db2.gz QZPQLZZRLXFFOV-UHFFFAOYSA-N 1 0 377.488 3.660 20 30 GHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CCSc1cc(Cl)ccc1Cl ZINC000551460838 877245402 /nfs/dbraw/zinc/24/54/02/877245402.db2.gz UBZRQBCWKRZPDC-UHFFFAOYSA-N 1 0 384.336 3.657 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)CC(C)(C)CC#N)cc2)C1 ZINC000451070821 877305532 /nfs/dbraw/zinc/30/55/32/877305532.db2.gz YWJARXZYGYSCGP-HDICACEKSA-N 1 0 391.581 3.524 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc(OC)c1OC ZINC000152209832 877314101 /nfs/dbraw/zinc/31/41/01/877314101.db2.gz VJIXAQANXHCSQN-UHFFFAOYSA-N 1 0 388.552 3.949 20 30 GHEDRO N#Cc1ccc(OCCC[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000746675836 877327196 /nfs/dbraw/zinc/32/71/96/877327196.db2.gz FXNHWVJQFWNNNK-OAQYLSRUSA-N 1 0 377.488 3.612 20 30 GHEDRO N#Cc1ccc(OCCC[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC000746675832 877327716 /nfs/dbraw/zinc/32/77/16/877327716.db2.gz FXNHWVJQFWNNNK-NRFANRHFSA-N 1 0 377.488 3.612 20 30 GHEDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000787327914 877348526 /nfs/dbraw/zinc/34/85/26/877348526.db2.gz PIPMOWVOKNKIMV-CZUORRHYSA-N 1 0 388.393 3.886 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C/c3ccccc3C#N)cc2F)CC1 ZINC000170849809 877427005 /nfs/dbraw/zinc/42/70/05/877427005.db2.gz YYEHEBSRUCZGFD-JXMROGBWSA-N 1 0 392.478 3.880 20 30 GHEDRO C=CCSCC(=O)N1CCC[C@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001273479059 912272634 /nfs/dbraw/zinc/27/26/34/912272634.db2.gz YROVAYSRTXZOSJ-IBGZPJMESA-N 1 0 379.595 3.575 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[N@@H+](C)CC23CCCCC3)c1 ZINC000175060001 877836551 /nfs/dbraw/zinc/83/65/51/877836551.db2.gz DEVLIKZLJOOHAE-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO C[C@@H](O)C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000551822204 877862231 /nfs/dbraw/zinc/86/22/31/877862231.db2.gz WSFXKCUXTAWTSO-JKSUJKDBSA-N 1 0 382.895 3.673 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000245435149 877874613 /nfs/dbraw/zinc/87/46/13/877874613.db2.gz CQYRJMONNPXMQW-QZTJIDSGSA-N 1 0 388.581 3.541 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000237796988 878048076 /nfs/dbraw/zinc/04/80/76/878048076.db2.gz WYSFYZKOESHLBC-UHFFFAOYSA-N 1 0 375.257 3.791 20 30 GHEDRO N#Cc1ccc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000530617765 878208701 /nfs/dbraw/zinc/20/87/01/878208701.db2.gz UYLJRCFZHRVGHD-QFIPXVFZSA-N 1 0 376.460 3.959 20 30 GHEDRO CC(C)[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1ccccc1 ZINC000788620059 878215302 /nfs/dbraw/zinc/21/53/02/878215302.db2.gz GXUANCAAHOHBHL-RPWUZVMVSA-N 1 0 377.532 3.870 20 30 GHEDRO COc1cc(C#N)ccc1COC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772722663 878275164 /nfs/dbraw/zinc/27/51/64/878275164.db2.gz GIQRYCAQOSXLQV-UHFFFAOYSA-N 1 0 378.472 3.912 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000451680494 878335520 /nfs/dbraw/zinc/33/55/20/878335520.db2.gz JNVGXVLCLZMZML-MJGOQNOKSA-N 1 0 385.533 3.764 20 30 GHEDRO C#CCC[NH+]1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000776595442 878343367 /nfs/dbraw/zinc/34/33/67/878343367.db2.gz LYTLEQKPEOYCMO-UHFFFAOYSA-N 1 0 384.936 3.857 20 30 GHEDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000068353076 878358059 /nfs/dbraw/zinc/35/80/59/878358059.db2.gz NTKHNXGZYQQOBZ-UHFFFAOYSA-N 1 0 378.520 3.856 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1 ZINC000852475087 878358688 /nfs/dbraw/zinc/35/86/88/878358688.db2.gz XXHUVPHGCYKBKK-ROUUACIJSA-N 1 0 379.426 3.714 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)Nc2cccc(CC#N)c2)[C@H](C)C1 ZINC000455911275 878365728 /nfs/dbraw/zinc/36/57/28/878365728.db2.gz VSQPVDHSLVNKNZ-GOSISDBHSA-N 1 0 392.503 3.890 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@@]2(C1)CN(C[C@@H](C)CC(F)(F)F)C(=O)CO2 ZINC001275115320 912339323 /nfs/dbraw/zinc/33/93/23/912339323.db2.gz VQSLWXVSRMEFSQ-FUHWJXTLSA-N 1 0 378.479 3.849 20 30 GHEDRO CC(C)C(=O)Nc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000285565117 912341879 /nfs/dbraw/zinc/34/18/79/912341879.db2.gz HLERBQHBTTZYHW-UHFFFAOYSA-N 1 0 376.504 3.911 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000530735323 878431733 /nfs/dbraw/zinc/43/17/33/878431733.db2.gz BUCASZIDEOTDEA-RQXXJAGISA-N 1 0 377.488 3.865 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852597695 878451066 /nfs/dbraw/zinc/45/10/66/878451066.db2.gz SRXZBIMSPCKCNQ-YRISNDGFSA-N 1 0 390.487 3.505 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460767542 878529530 /nfs/dbraw/zinc/52/95/30/878529530.db2.gz CAIQFPFDLLXXFK-UHFFFAOYSA-N 1 0 385.581 3.961 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460783000 878555356 /nfs/dbraw/zinc/55/53/56/878555356.db2.gz CPPUWTAFCXEPOA-HKUYNNGSSA-N 1 0 383.540 3.696 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@H](O)c1ccc(Cl)cc1 ZINC000852731400 878561135 /nfs/dbraw/zinc/56/11/35/878561135.db2.gz IXYZBCCSOYAZOC-ZYSHUDEJSA-N 1 0 391.943 3.719 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000852801717 878610922 /nfs/dbraw/zinc/61/09/22/878610922.db2.gz WHLQHYLWYZVLBQ-UHFFFAOYSA-N 1 0 390.306 3.514 20 30 GHEDRO Cc1cccc(COc2ccc([C@@H](C)NC(=O)C#CC3CC[NH2+]CC3)cc2)c1 ZINC000852834629 878626317 /nfs/dbraw/zinc/62/63/17/878626317.db2.gz VMUBAFVJEYRMON-LJQANCHMSA-N 1 0 376.500 3.754 20 30 GHEDRO Cc1ccc([C@@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccc(F)cc2Cl)cc1 ZINC000852836224 878627948 /nfs/dbraw/zinc/62/79/48/878627948.db2.gz YXKAHIWIOYSKBB-JOCHJYFZSA-N 1 0 384.882 3.996 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000852845736 878631852 /nfs/dbraw/zinc/63/18/52/878631852.db2.gz JIEPKLFUFFPLGV-UHFFFAOYSA-N 1 0 395.330 3.614 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000238155856 878812640 /nfs/dbraw/zinc/81/26/40/878812640.db2.gz AAEWQPPWPXYMOT-UHFFFAOYSA-N 1 0 397.494 3.759 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460939958 878861640 /nfs/dbraw/zinc/86/16/40/878861640.db2.gz UQKUQWYJMAGFQJ-IBGZPJMESA-N 1 0 395.551 3.519 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853211449 878891829 /nfs/dbraw/zinc/89/18/29/878891829.db2.gz VQKMGPXIGVXDGL-SGTLLEGYSA-N 1 0 392.377 3.589 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000452100934 878931557 /nfs/dbraw/zinc/93/15/57/878931557.db2.gz FRGKGIJOUXXCBD-UHFFFAOYSA-N 1 0 388.556 3.851 20 30 GHEDRO N#Cc1ccc(CN(C(=O)C2(c3ccccc3C#N)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001183294601 912402393 /nfs/dbraw/zinc/40/23/93/912402393.db2.gz PCFLABLHJFHIPF-HZCBDIJESA-N 1 0 398.510 3.760 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)c2cccc(C#N)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000452128459 878980105 /nfs/dbraw/zinc/98/01/05/878980105.db2.gz ULFOQNMUPRUSSR-KSSFIOAISA-N 1 0 398.304 3.714 20 30 GHEDRO CC(C)c1ccc(C(=O)C(C(=S)NC2CCOCC2)[n+]2ccccc2)cc1 ZINC000068866461 879105130 /nfs/dbraw/zinc/10/51/30/879105130.db2.gz HVTGFJUBTPDQQG-UHFFFAOYSA-O 1 0 383.537 3.805 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC2CCOCC2)cc1 ZINC000068866560 879106463 /nfs/dbraw/zinc/10/64/63/879106463.db2.gz DAPZOYZRNKAAEN-UHFFFAOYSA-O 1 0 389.928 3.643 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)CC1 ZINC000068919794 879256453 /nfs/dbraw/zinc/25/64/53/879256453.db2.gz PGDCDPBGZNXUOP-UHFFFAOYSA-N 1 0 391.302 3.522 20 30 GHEDRO C=CC[C@@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccncc1 ZINC000853747208 879260172 /nfs/dbraw/zinc/26/01/72/879260172.db2.gz OPROITWCBANLRG-FCHUYYIVSA-N 1 0 378.520 3.657 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000538373244 879371087 /nfs/dbraw/zinc/37/10/87/879371087.db2.gz XGMUWOQUNJPQOZ-IRXDYDNUSA-N 1 0 376.520 3.683 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Oc2ccccc2)cc1 ZINC000180879803 879440238 /nfs/dbraw/zinc/44/02/38/879440238.db2.gz XKRGDRYWHIHHFH-YIYXVTKBSA-N 1 0 377.444 3.656 20 30 GHEDRO C[N@H+](CC1(c2ccc(Br)cc2)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152598821 879472731 /nfs/dbraw/zinc/47/27/31/879472731.db2.gz LFBGCSSAFJNMSB-GOSISDBHSA-N 1 0 398.304 3.511 20 30 GHEDRO CON=Cc1ccc(-c2nc([C@@H]3CN(Cc4ccccc4)C[C@@H](C)O3)no2)cc1 ZINC000854108191 879545176 /nfs/dbraw/zinc/54/51/76/879545176.db2.gz ZRKJTWAIYAAVMG-UZLBHIALSA-N 1 0 392.459 3.679 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2F)[NH+]2CCCCC2)cc1 ZINC000854235130 879650487 /nfs/dbraw/zinc/65/04/87/879650487.db2.gz POWOMNXAHNLECV-OAQYLSRUSA-N 1 0 381.451 3.663 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000265967436 879809342 /nfs/dbraw/zinc/80/93/42/879809342.db2.gz KFEUNFPCOLZDIH-VQIMIIECSA-O 1 0 399.584 3.767 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443462 879826323 /nfs/dbraw/zinc/82/63/23/879826323.db2.gz AKMXEUAFZUOVKS-LEWJYISDSA-N 1 0 376.500 3.846 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000461455543 879864763 /nfs/dbraw/zinc/86/47/63/879864763.db2.gz ZUCPFKXSMVVEBO-UHFFFAOYSA-N 1 0 389.459 3.890 20 30 GHEDRO CC(C)N1C(=O)C[C@@H]([NH2+]CCCSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494211294 879995973 /nfs/dbraw/zinc/99/59/73/879995973.db2.gz FLGKFHVPAGDHDG-AEFFLSMTSA-N 1 0 383.920 3.766 20 30 GHEDRO CCC1(CC)[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1OC ZINC000140777310 880033736 /nfs/dbraw/zinc/03/37/36/880033736.db2.gz HSTGRGQVXBIZPX-MSOLQXFVSA-N 1 0 375.538 3.766 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000112617413 880050320 /nfs/dbraw/zinc/05/03/20/880050320.db2.gz JUZNYSBOZZJLGB-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C(F)(F)F)cn2)C(=S)NC2(C)CC2)c1 ZINC000286073100 912556941 /nfs/dbraw/zinc/55/69/41/912556941.db2.gz BDVATRLOYHCMDV-UHFFFAOYSA-O 1 0 394.442 3.777 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@]2(C1)OCc1ccccc12)C(C)C ZINC000185156536 880492447 /nfs/dbraw/zinc/49/24/47/880492447.db2.gz DPLABCYCQKXFNY-GGAORHGYSA-N 1 0 383.536 3.526 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)ccc1OC ZINC000113348138 880520542 /nfs/dbraw/zinc/52/05/42/880520542.db2.gz DWAAQWXFJAQFKX-DNVCBOLYSA-N 1 0 396.487 3.998 20 30 GHEDRO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1Br)CC2 ZINC001275200447 912597230 /nfs/dbraw/zinc/59/72/30/912597230.db2.gz YOEZZROFJBRXMZ-INIZCTEOSA-N 1 0 377.326 3.744 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)C1CC1 ZINC000453319091 880790748 /nfs/dbraw/zinc/79/07/48/880790748.db2.gz CQBMPPRNWPPDCX-HTAPYJJXSA-N 1 0 390.593 3.950 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000453416509 880881720 /nfs/dbraw/zinc/88/17/20/880881720.db2.gz WWRBLIYEUOTOIF-ZJOUEHCJSA-N 1 0 395.551 3.662 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000453425459 880924837 /nfs/dbraw/zinc/92/48/37/880924837.db2.gz MSZKJBNZLDJCFY-IRFCIJBXSA-N 1 0 395.551 3.520 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000453460053 880961413 /nfs/dbraw/zinc/96/14/13/880961413.db2.gz DITDKYZWZXLDMW-FQEVSTJZSA-N 1 0 387.572 3.798 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453470660 880981508 /nfs/dbraw/zinc/98/15/08/880981508.db2.gz QTDDSMHVRIGVSG-QHCPKHFHSA-N 1 0 395.551 3.510 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792196678 880982082 /nfs/dbraw/zinc/98/20/82/880982082.db2.gz TWVYAEFUBOOCPW-ZDUSSCGKSA-N 1 0 395.322 3.796 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000113970783 881018758 /nfs/dbraw/zinc/01/87/58/881018758.db2.gz VLCNLHKJOUGEGS-ICSRJNTNSA-N 1 0 386.540 3.679 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000113974279 881019896 /nfs/dbraw/zinc/01/98/96/881019896.db2.gz LDMOIHUHXMNQBJ-IRLDBZIGSA-N 1 0 394.519 3.778 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000856259039 881071529 /nfs/dbraw/zinc/07/15/29/881071529.db2.gz FEIRULYDKGUFNA-MRXNPFEDSA-N 1 0 380.454 3.830 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(C)c(Br)c3)C2)C1=O ZINC001275213176 912647023 /nfs/dbraw/zinc/64/70/23/912647023.db2.gz QCJFKIMIBZRSAO-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO CC[C@H]1C[C@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)CCO1 ZINC001170183665 881195468 /nfs/dbraw/zinc/19/54/68/881195468.db2.gz SNAFRDWALGJQDY-PKTZIBPZSA-N 1 0 388.511 3.870 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119892920 881204016 /nfs/dbraw/zinc/20/40/16/881204016.db2.gz YDQDKWPYPSFFAH-RHSMWYFYSA-N 1 0 375.538 3.813 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3ccccc3OC)CC2)c1O ZINC000919935894 881206858 /nfs/dbraw/zinc/20/68/58/881206858.db2.gz NLDILHQRSNRWKW-UHFFFAOYSA-N 1 0 382.504 3.850 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C(=O)N(C)C)ccc1C)C(C)C ZINC000119996240 881249188 /nfs/dbraw/zinc/24/91/88/881249188.db2.gz IXRQUEVIVNLJFU-HXUWFJFHSA-N 1 0 386.540 3.517 20 30 GHEDRO N#Cc1cccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000064336212 883136890 /nfs/dbraw/zinc/13/68/90/883136890.db2.gz RRDGAGMRAXNJHD-HXUWFJFHSA-N 1 0 387.405 3.629 20 30 GHEDRO N#CCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)c1 ZINC000858556964 883194588 /nfs/dbraw/zinc/19/45/88/883194588.db2.gz SZUQHTIANFXOAJ-FCHUYYIVSA-N 1 0 375.472 3.686 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000551100041 883249540 /nfs/dbraw/zinc/24/95/40/883249540.db2.gz ZTTQWWHYAIIHCC-UHFFFAOYSA-N 1 0 382.430 3.556 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)cc2)nc1 ZINC000609503525 883271151 /nfs/dbraw/zinc/27/11/51/883271151.db2.gz BTMRDIVXGSKIBZ-UHFFFAOYSA-N 1 0 382.383 3.579 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)c1cccc(F)c1 ZINC000609514207 883313560 /nfs/dbraw/zinc/31/35/60/883313560.db2.gz JSJWXZFPMFWTAA-OAQYLSRUSA-N 1 0 383.467 3.666 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761673191 883315930 /nfs/dbraw/zinc/31/59/30/883315930.db2.gz CUSBUVRSCLUPJF-CRAIPNDOSA-N 1 0 382.439 3.685 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135395376 883334893 /nfs/dbraw/zinc/33/48/93/883334893.db2.gz FXODGFCGDCXNMI-BEFAXECRSA-N 1 0 392.425 3.744 20 30 GHEDRO Cc1cc(C[NH2+]C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)ccc1C#N ZINC001183631467 912715612 /nfs/dbraw/zinc/71/56/12/912715612.db2.gz SFXDYEKZYVAGQT-FQEVSTJZSA-N 1 0 399.535 3.763 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000805027098 883540741 /nfs/dbraw/zinc/54/07/41/883540741.db2.gz FJAQHGDMOUKIFO-OAQYLSRUSA-N 1 0 395.572 3.894 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000805029490 883541772 /nfs/dbraw/zinc/54/17/72/883541772.db2.gz QKAMSGQFKGNEEI-SFTDATJTSA-N 1 0 395.572 3.894 20 30 GHEDRO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000609709527 883566426 /nfs/dbraw/zinc/56/64/26/883566426.db2.gz ORLNZROXDJDLMT-IFMALSPDSA-N 1 0 382.529 3.591 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000805176469 883656542 /nfs/dbraw/zinc/65/65/42/883656542.db2.gz JQXPXPQTDNDUJT-AGILITTLSA-N 1 0 389.543 3.973 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211704 883664189 /nfs/dbraw/zinc/66/41/89/883664189.db2.gz BHUQMBKRIFCFDB-OAHLLOKOSA-N 1 0 396.560 3.629 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214192 883667542 /nfs/dbraw/zinc/66/75/42/883667542.db2.gz FSRIZDBZYLNSHM-IBGZPJMESA-N 1 0 378.520 3.515 20 30 GHEDRO CC(C)O[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000593055295 883707788 /nfs/dbraw/zinc/70/77/88/883707788.db2.gz JMSKKWCPSPNMBP-HNNXBMFYSA-N 1 0 375.538 3.717 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000263258051 883725559 /nfs/dbraw/zinc/72/55/59/883725559.db2.gz RNQQVPMSJQPGCS-UHFFFAOYSA-N 1 0 376.386 3.798 20 30 GHEDRO CC(C)(C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000859330763 883749144 /nfs/dbraw/zinc/74/91/44/883749144.db2.gz IOKSNOXUBPUNNT-UHFFFAOYSA-N 1 0 391.515 3.627 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194415928 883811948 /nfs/dbraw/zinc/81/19/48/883811948.db2.gz JQQMKCSDPQUICO-QHCPKHFHSA-N 1 0 377.532 3.949 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1cccc(F)c1 ZINC000465438395 883878571 /nfs/dbraw/zinc/87/85/71/883878571.db2.gz XIEBAYJYYYDFER-FDFHNCONSA-N 1 0 394.494 3.910 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1 ZINC000777117503 883999416 /nfs/dbraw/zinc/99/94/16/883999416.db2.gz ZXFKWZVHQREBHH-JPYJTQIMSA-N 1 0 396.579 3.974 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)C(C)C ZINC000498359426 884147306 /nfs/dbraw/zinc/14/73/06/884147306.db2.gz KOIOBZCJWGQEQH-OAQYLSRUSA-N 1 0 379.504 3.883 20 30 GHEDRO N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000805855880 884150841 /nfs/dbraw/zinc/15/08/41/884150841.db2.gz OKANNPOCXVPOAG-MRXNPFEDSA-N 1 0 380.275 3.515 20 30 GHEDRO CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000805856339 884151036 /nfs/dbraw/zinc/15/10/36/884151036.db2.gz UJYJDRSDRSGROP-IBGZPJMESA-N 1 0 391.471 3.642 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859894481 884159545 /nfs/dbraw/zinc/15/95/45/884159545.db2.gz SOTBZRQBUUZRLW-AVRDEDQJSA-N 1 0 375.516 3.863 20 30 GHEDRO C#Cc1cccc(N(Cc2ccccc2)C(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760486250 884162104 /nfs/dbraw/zinc/16/21/04/884162104.db2.gz XABNCRZWDDTZNQ-UHFFFAOYSA-N 1 0 377.557 3.891 20 30 GHEDRO CC(C)c1cccc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000498381476 884230601 /nfs/dbraw/zinc/23/06/01/884230601.db2.gz CSBIVYHPYMYBCI-UHFFFAOYSA-N 1 0 379.504 3.651 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl ZINC000263163255 884306158 /nfs/dbraw/zinc/30/61/58/884306158.db2.gz QXNMUGFBPRTMLX-MRVPVSSYSA-N 1 0 392.212 3.968 20 30 GHEDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]2CCCO[C@H]21 ZINC000556295800 884394382 /nfs/dbraw/zinc/39/43/82/884394382.db2.gz LSJQCEANOQNIJV-GDIGMMSISA-N 1 0 387.549 3.620 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@]4(CCOC4)C3)sc2C1 ZINC000556312120 884424747 /nfs/dbraw/zinc/42/47/47/884424747.db2.gz HRYRTQPKSYOPAQ-VFNWGFHPSA-N 1 0 387.549 3.576 20 30 GHEDRO C=CCCC[C@H](C)[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000584428644 884449353 /nfs/dbraw/zinc/44/93/53/884449353.db2.gz JDMALLHHYOWYRX-SFHVURJKSA-N 1 0 387.549 3.676 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000487835240 884480123 /nfs/dbraw/zinc/48/01/23/884480123.db2.gz JGHTWILBPJWLPO-UHFFFAOYSA-N 1 0 387.281 3.704 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000806262755 884515856 /nfs/dbraw/zinc/51/58/56/884515856.db2.gz PZQYMLNPXSBAQE-XMMPIXPASA-N 1 0 389.499 3.829 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000806262350 884517639 /nfs/dbraw/zinc/51/76/39/884517639.db2.gz DYKRWUVLXOMILY-XMMPIXPASA-N 1 0 389.499 3.829 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(Br)ccc3C)C2)C1=O ZINC001275249228 912834214 /nfs/dbraw/zinc/83/42/14/912834214.db2.gz ZSRNGYZLECTXHG-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=Nn2c(C)nc3sccc3c2=O)c1C ZINC000914694165 884528901 /nfs/dbraw/zinc/52/89/01/884528901.db2.gz ZMTPPPLVFJRAPL-GOSISDBHSA-N 1 0 397.548 3.551 20 30 GHEDRO COc1ccc(C[NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)cc1C#N ZINC000898164113 884623418 /nfs/dbraw/zinc/62/34/18/884623418.db2.gz RVXIIHBDQUOLRN-UHFFFAOYSA-N 1 0 390.405 3.682 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)o1 ZINC000051183285 884670439 /nfs/dbraw/zinc/67/04/39/884670439.db2.gz WEWBXSBWDYKFBY-WVBUVRCRSA-N 1 0 380.488 3.873 20 30 GHEDRO CC(C)c1ccc(CN2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC001170507622 884675724 /nfs/dbraw/zinc/67/57/24/884675724.db2.gz ODDOQBRLZGPGSL-UHFFFAOYSA-N 1 0 390.531 3.828 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3cc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000898289345 884698980 /nfs/dbraw/zinc/69/89/80/884698980.db2.gz CPSDJZCGLQCFEB-IYBDPMFKSA-N 1 0 383.517 3.501 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)c(C)c1OC ZINC000286695255 912856629 /nfs/dbraw/zinc/85/66/29/912856629.db2.gz DKBWQCJYJKTRJV-KRWDZBQOSA-N 1 0 381.476 3.610 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)c(C)c1OC ZINC000286695260 912856855 /nfs/dbraw/zinc/85/68/55/912856855.db2.gz DKBWQCJYJKTRJV-QGZVFWFLSA-N 1 0 381.476 3.610 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H]1C ZINC000498550421 884803150 /nfs/dbraw/zinc/80/31/50/884803150.db2.gz PGFAKYIHRZZESN-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO Cc1nn(C)c2sc(C(=O)/C=C/c3ccc(N4CC[NH+](C)CC4)cc3)cc12 ZINC000806577389 884832983 /nfs/dbraw/zinc/83/29/83/884832983.db2.gz QBIPJCDIVGTFPU-RMKNXTFCSA-N 1 0 380.517 3.591 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981589 885084455 /nfs/dbraw/zinc/08/44/55/885084455.db2.gz HQPDYOVQXHVXGK-JRMCHAMMSA-N 1 0 395.890 3.711 20 30 GHEDRO C#CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3cccc(Br)c3)C2)C1=O ZINC001275268718 912896571 /nfs/dbraw/zinc/89/65/71/912896571.db2.gz JWQOPVLAQZPBGS-OAQYLSRUSA-N 1 0 395.300 3.573 20 30 GHEDRO COCC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)c(Cl)c1 ZINC000556514881 885210290 /nfs/dbraw/zinc/21/02/90/885210290.db2.gz IPBLAHQLCSZOJM-AEFFLSMTSA-N 1 0 386.323 3.715 20 30 GHEDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925463803 885412337 /nfs/dbraw/zinc/41/23/37/885412337.db2.gz QDEQSTOXWTYVNI-IRXDYDNUSA-N 1 0 381.561 3.693 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000495368862 885544881 /nfs/dbraw/zinc/54/48/81/885544881.db2.gz LIEKJMGRFUQELA-NSHDSACASA-N 1 0 376.229 3.749 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000193568583 885615073 /nfs/dbraw/zinc/61/50/73/885615073.db2.gz WDCBSHBPMPZCBY-UHFFFAOYSA-N 1 0 377.492 3.669 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000495440083 885811576 /nfs/dbraw/zinc/81/15/76/885811576.db2.gz ORZZAKPTTLMOOU-HXUWFJFHSA-N 1 0 378.476 3.834 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)C(C)(C)C ZINC000487914438 885898336 /nfs/dbraw/zinc/89/83/36/885898336.db2.gz KAIPGRZSSHDXDQ-HNNXBMFYSA-N 1 0 381.318 3.809 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)COc2ccccc2C#N)CC1 ZINC000556692598 885916382 /nfs/dbraw/zinc/91/63/82/885916382.db2.gz WMYKMUAZKPZGNG-UHFFFAOYSA-N 1 0 399.878 3.702 20 30 GHEDRO COc1ccc([C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000915215849 886027903 /nfs/dbraw/zinc/02/79/03/886027903.db2.gz OBSGJWINNNHEJL-XXBNENTESA-N 1 0 398.466 3.973 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1=S ZINC000808191041 886085683 /nfs/dbraw/zinc/08/56/83/886085683.db2.gz LSRLIYKLLOSRMI-QUCCMNQESA-N 1 0 397.592 3.707 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131446117 886088487 /nfs/dbraw/zinc/08/84/87/886088487.db2.gz NNBVSWIARUJYNK-UHFFFAOYSA-N 1 0 380.536 3.940 20 30 GHEDRO C[N@@H+]1C[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@H](c2ccccc2)C1 ZINC000862100301 886108715 /nfs/dbraw/zinc/10/87/15/886108715.db2.gz PYZSNWGVJQNQRX-GGAORHGYSA-N 1 0 387.527 3.832 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495562899 886109156 /nfs/dbraw/zinc/10/91/56/886109156.db2.gz OACRPCRSDPCTQC-KRWDZBQOSA-N 1 0 382.426 3.874 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000780677624 886133107 /nfs/dbraw/zinc/13/31/07/886133107.db2.gz LSOIZXYEOJRBEI-ZIFCJYIRSA-N 1 0 378.476 3.934 20 30 GHEDRO COc1cncc(CON=C(N)c2ccc(COc3ccccc3F)cc2)c1 ZINC000808255357 886155800 /nfs/dbraw/zinc/15/58/00/886155800.db2.gz IUYSIVNRMHLHIE-UHFFFAOYSA-N 1 0 381.407 3.645 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000919765361 886319483 /nfs/dbraw/zinc/31/94/83/886319483.db2.gz RUKUEFMHEOUXOG-IYBDPMFKSA-N 1 0 382.508 3.737 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1OCCCC#N ZINC000862483768 886402607 /nfs/dbraw/zinc/40/26/07/886402607.db2.gz YQKSJRYFQUIBSK-HSZRJFAPSA-N 1 0 380.488 3.861 20 30 GHEDRO CN(C(=O)C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C1(C#N)CCCCC1 ZINC000556881500 886479510 /nfs/dbraw/zinc/47/95/10/886479510.db2.gz VAFBLWPRVZCJCN-RBUKOAKNSA-N 1 0 391.462 3.539 20 30 GHEDRO C[C@@H]1CCc2c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)csc2C1 ZINC000499055416 886512746 /nfs/dbraw/zinc/51/27/46/886512746.db2.gz MSRAMAHKEOZPGN-MRXNPFEDSA-N 1 0 381.545 3.949 20 30 GHEDRO C=CCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1 ZINC000499067817 886550482 /nfs/dbraw/zinc/55/04/82/886550482.db2.gz HASSRQXDSKEWHY-UHFFFAOYSA-N 1 0 395.572 3.862 20 30 GHEDRO N#CCC[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000132021479 886643950 /nfs/dbraw/zinc/64/39/50/886643950.db2.gz GPACRYOGNQHKKX-VXKWHMMOSA-N 1 0 376.504 3.995 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OCC ZINC000057552331 886717145 /nfs/dbraw/zinc/71/71/45/886717145.db2.gz KNWOVTFOVQAUAW-DLBZAZTESA-N 1 0 387.524 3.866 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000287064827 913072828 /nfs/dbraw/zinc/07/28/28/913072828.db2.gz POJMZZXKABTEBF-GHTZIAJQSA-N 1 0 396.535 3.591 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000171719341 887051575 /nfs/dbraw/zinc/05/15/75/887051575.db2.gz YOZWNAWNICICQH-SFHVURJKSA-N 1 0 394.519 3.671 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128758135 887220351 /nfs/dbraw/zinc/22/03/51/887220351.db2.gz BHNVOFZPGBLSFX-AOIWGVFYSA-N 1 0 397.548 3.989 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cccc(Br)c1)C(C)C ZINC000495980480 887344719 /nfs/dbraw/zinc/34/47/19/887344719.db2.gz FMEDEDGBSSXYIZ-GOSISDBHSA-N 1 0 379.342 3.806 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c(F)c1 ZINC000809706676 887725234 /nfs/dbraw/zinc/72/52/34/887725234.db2.gz HLJGSCYHEMKEJR-UHFFFAOYSA-N 1 0 395.478 3.577 20 30 GHEDRO CCCCCCCCOc1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001211948398 887732679 /nfs/dbraw/zinc/73/26/79/887732679.db2.gz LMYQFXQJGGYERM-GHTZIAJQSA-N 1 0 394.581 3.751 20 30 GHEDRO CCCCCCCCOc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001211948401 887733306 /nfs/dbraw/zinc/73/33/06/887733306.db2.gz LMYQFXQJGGYERM-WIYYLYMNSA-N 1 0 394.581 3.751 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000153345466 887909154 /nfs/dbraw/zinc/90/91/54/887909154.db2.gz YTAGUMQJXABYHK-INIZCTEOSA-N 1 0 376.460 3.927 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)cc3C)CC2)C1=O ZINC001275308169 913205904 /nfs/dbraw/zinc/20/59/04/913205904.db2.gz LGEYUSYEIIVECO-HXUWFJFHSA-N 1 0 389.337 3.595 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](Oc4ccc(Cl)cc4)C3)C2=O)cc1 ZINC001170594871 888083171 /nfs/dbraw/zinc/08/31/71/888083171.db2.gz YERKVGILIBHCNL-NHCUHLMSSA-N 1 0 395.890 3.860 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000810034159 888115464 /nfs/dbraw/zinc/11/54/64/888115464.db2.gz OLCDHVSBZFSIDF-FQEVSTJZSA-N 1 0 386.496 3.757 20 30 GHEDRO N#CCc1ccc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)nc1 ZINC001170596729 888131623 /nfs/dbraw/zinc/13/16/23/888131623.db2.gz XKAQHZHZDUJSND-QHCPKHFHSA-N 1 0 386.499 3.623 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(N2CCCCC2=O)cc1 ZINC000810128203 888194679 /nfs/dbraw/zinc/19/46/79/888194679.db2.gz KDIKLEKTDLOTNR-HNNXBMFYSA-N 1 0 396.516 3.816 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810129310 888196229 /nfs/dbraw/zinc/19/62/29/888196229.db2.gz UJZBWYPUNDQKSN-KRWDZBQOSA-N 1 0 390.487 3.755 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000810130270 888197372 /nfs/dbraw/zinc/19/73/72/888197372.db2.gz LBLHFIKNDJHUSA-IRXDYDNUSA-N 1 0 390.487 3.753 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001132086298 888215824 /nfs/dbraw/zinc/21/58/24/888215824.db2.gz LHOVAFQWIXUREK-SIKLNZKXSA-N 1 0 375.516 3.602 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000810151570 888240348 /nfs/dbraw/zinc/24/03/48/888240348.db2.gz COAWTKUQLKUKJZ-MRXNPFEDSA-N 1 0 383.414 3.970 20 30 GHEDRO C#C[C@H](NC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000810192378 888277892 /nfs/dbraw/zinc/27/78/92/888277892.db2.gz MMQQKTDWTMAELX-SFHVURJKSA-N 1 0 385.899 3.608 20 30 GHEDRO COc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000865274258 888281028 /nfs/dbraw/zinc/28/10/28/888281028.db2.gz VWPULEULMIXHPD-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001168505648 888286211 /nfs/dbraw/zinc/28/62/11/888286211.db2.gz QXLQQMZRKRTNIB-UHFFFAOYSA-N 1 0 397.438 3.741 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000188772934 888291929 /nfs/dbraw/zinc/29/19/29/888291929.db2.gz CXYMNSBXAQFJSQ-LJQANCHMSA-N 1 0 393.491 3.723 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cnc(C[NH2+]CCSCc2ccccc2C#N)cn1 ZINC000865405710 888324722 /nfs/dbraw/zinc/32/47/22/888324722.db2.gz SORDUIMANOSBNB-UHFFFAOYSA-N 1 0 399.520 3.718 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC000763234764 888377000 /nfs/dbraw/zinc/37/70/00/888377000.db2.gz GXQQTSRXLIHWSM-FQEVSTJZSA-N 1 0 378.472 3.812 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ncc(Br)s2)CC1 ZINC000865696247 888520708 /nfs/dbraw/zinc/52/07/08/888520708.db2.gz YCMNOCCRDWZEKJ-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO C#C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)c1ccc(Cl)cc1 ZINC000810474592 888552576 /nfs/dbraw/zinc/55/25/76/888552576.db2.gz YBOYGTXWFSHVIE-HXUWFJFHSA-N 1 0 397.906 3.611 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000475926827 888581057 /nfs/dbraw/zinc/58/10/57/888581057.db2.gz CAGFLQNHGBUEGE-UHFFFAOYSA-N 1 0 385.577 3.969 20 30 GHEDRO CCOc1cccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000915942936 888583277 /nfs/dbraw/zinc/58/32/77/888583277.db2.gz UBWLUYKBQLSVRV-UHFFFAOYSA-N 1 0 396.560 3.548 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001184542677 913274497 /nfs/dbraw/zinc/27/44/97/913274497.db2.gz NZJVBMOEFOUCCU-SJCJKPOMSA-N 1 0 383.389 3.720 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(F)c(OC)c2)no1 ZINC001211972951 888745643 /nfs/dbraw/zinc/74/56/43/888745643.db2.gz JSVGYWQYOYPSEX-RDJZCZTQSA-N 1 0 377.460 3.962 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000496390719 888762459 /nfs/dbraw/zinc/76/24/59/888762459.db2.gz UXVLHRDLDXHANG-FQEVSTJZSA-N 1 0 380.488 3.827 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2cc(Br)cc(C#N)c2)C1 ZINC000810788194 888859519 /nfs/dbraw/zinc/85/95/19/888859519.db2.gz NGADQRDOQOIGDN-QGZVFWFLSA-N 1 0 383.261 3.576 20 30 GHEDRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866449070 888883270 /nfs/dbraw/zinc/88/32/70/888883270.db2.gz QMHHAIMNJWRNIN-INIZCTEOSA-N 1 0 392.503 3.845 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000496705147 889004534 /nfs/dbraw/zinc/00/45/34/889004534.db2.gz BDQXQDKYNXRAOK-UHFFFAOYSA-N 1 0 381.520 3.681 20 30 GHEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532825008 889020891 /nfs/dbraw/zinc/02/08/91/889020891.db2.gz AUMLLVQAOPWAQE-YADHBBJMSA-N 1 0 382.529 3.990 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454464219 889129690 /nfs/dbraw/zinc/12/96/90/889129690.db2.gz MQZMSNZYRVNMPC-GOSISDBHSA-N 1 0 386.496 3.524 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245702569 889299072 /nfs/dbraw/zinc/29/90/72/889299072.db2.gz RPLZOLSECYVIKM-LMMKCTJWSA-N 1 0 397.548 3.799 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000532938667 889386611 /nfs/dbraw/zinc/38/66/11/889386611.db2.gz QHSZXDAJIXSVDR-QGZVFWFLSA-N 1 0 388.943 3.594 20 30 GHEDRO COc1ccc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000532989116 889473642 /nfs/dbraw/zinc/47/36/42/889473642.db2.gz SVEUROZGCTVLES-QFIPXVFZSA-N 1 0 375.472 3.552 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000063402416 889601350 /nfs/dbraw/zinc/60/13/50/889601350.db2.gz KYPVZFFEPMPDPB-UHFFFAOYSA-N 1 0 398.576 3.617 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000063400147 889601606 /nfs/dbraw/zinc/60/16/06/889601606.db2.gz KBQLNCPECRTXAQ-FQEVSTJZSA-N 1 0 382.464 3.595 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000868869927 889634742 /nfs/dbraw/zinc/63/47/42/889634742.db2.gz ZCRBCQMAFIWHCF-MRXNPFEDSA-N 1 0 399.894 3.862 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000063526206 889643543 /nfs/dbraw/zinc/64/35/43/889643543.db2.gz PMGZOPWXRNAHAC-UHFFFAOYSA-N 1 0 388.533 3.570 20 30 GHEDRO CSc1ncc(C#N)c(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)n1 ZINC001170639647 889833542 /nfs/dbraw/zinc/83/35/42/889833542.db2.gz AWJDMWXADQDUCH-WZOJCFFYSA-N 1 0 379.533 3.703 20 30 GHEDRO C[C@@H](COc1ccccc1)NN=C1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000811666790 889854905 /nfs/dbraw/zinc/85/49/05/889854905.db2.gz KDRIPYQYTNQAAJ-SFHVURJKSA-N 1 0 379.504 3.695 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCc2ccccc2)C2CCCC2)c1 ZINC000533148007 889886848 /nfs/dbraw/zinc/88/68/48/889886848.db2.gz KBEPWEQKNYBXKL-UHFFFAOYSA-N 1 0 382.529 3.819 20 30 GHEDRO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1[N+](=O)[O-] ZINC000811804383 889988859 /nfs/dbraw/zinc/98/88/59/889988859.db2.gz LOABGEDJXFNTCB-QGZVFWFLSA-N 1 0 386.839 3.902 20 30 GHEDRO C#C[C@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000811875532 890069248 /nfs/dbraw/zinc/06/92/48/890069248.db2.gz XWBFBXLPANJZBC-NRFANRHFSA-N 1 0 399.922 3.844 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000812032975 890243651 /nfs/dbraw/zinc/24/36/51/890243651.db2.gz VUFOFOXBWPDBLT-XZOQPEGZSA-N 1 0 393.531 3.801 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)N2CCC3(CCC[N@@H+]3CC3CC3)CC2)nc1Cl ZINC001184798930 913442038 /nfs/dbraw/zinc/44/20/38/913442038.db2.gz UAKWMPIHMCCNGE-UHFFFAOYSA-N 1 0 393.318 3.741 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000105652261 890457616 /nfs/dbraw/zinc/45/76/16/890457616.db2.gz GKQAXIBJJZJPHD-SFHVURJKSA-N 1 0 375.472 3.817 20 30 GHEDRO C#CCN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CCCc2ccccc21 ZINC000923623067 890509634 /nfs/dbraw/zinc/50/96/34/890509634.db2.gz CJRQJUKFESIWRN-QFIPXVFZSA-N 1 0 391.519 3.695 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CCN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000533462056 890612208 /nfs/dbraw/zinc/61/22/08/890612208.db2.gz POFVCJMSNKDTRG-UHFFFAOYSA-N 1 0 394.462 3.859 20 30 GHEDRO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cccc(Br)n3)C2)C1=O ZINC001275345212 913478041 /nfs/dbraw/zinc/47/80/41/913478041.db2.gz TZDCBNSPACRKPC-FQEVSTJZSA-N 1 0 398.304 3.520 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](Cc1ccccc1)C(C)=O ZINC000871642488 890956075 /nfs/dbraw/zinc/95/60/75/890956075.db2.gz IPPXAQGGMDFZAC-FQEVSTJZSA-N 1 0 398.576 3.785 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)Nc2cc(CC#N)ccn2)C[N@@H+]1Cc1ccccc1 ZINC000871725516 890992393 /nfs/dbraw/zinc/99/23/93/890992393.db2.gz BYUNEYMHGLFFRU-PXNSSMCTSA-N 1 0 377.492 3.570 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000812874563 891053780 /nfs/dbraw/zinc/05/37/80/891053780.db2.gz CROGKVXXGRHIQZ-NRFANRHFSA-N 1 0 383.442 3.603 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000812881704 891061387 /nfs/dbraw/zinc/06/13/87/891061387.db2.gz YHAQXGJZHJCXKY-OXJNMPFZSA-N 1 0 385.508 3.773 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(F)cc1 ZINC000812930382 891136228 /nfs/dbraw/zinc/13/62/28/891136228.db2.gz YBIYJAGENOUNSH-NRFANRHFSA-N 1 0 397.519 3.913 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000812936148 891144381 /nfs/dbraw/zinc/14/43/81/891144381.db2.gz MKLFAZIMJCOTAR-QRFRQXIXSA-N 1 0 385.508 3.944 20 30 GHEDRO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000872110679 891159985 /nfs/dbraw/zinc/15/99/85/891159985.db2.gz MWWCSRQJAUQAEY-MRVPVSSYSA-N 1 0 397.312 3.505 20 30 GHEDRO N#CCCn1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccccc2)n1 ZINC000246429797 891238286 /nfs/dbraw/zinc/23/82/86/891238286.db2.gz MXNFLVRUMIMJKI-NZQKXSOJSA-N 1 0 389.547 3.912 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=Nn2c(SC)nnc2SC)c1C ZINC000872416941 891257040 /nfs/dbraw/zinc/25/70/40/891257040.db2.gz CNCZVGXGATVDOG-MRXNPFEDSA-N 1 0 392.598 3.507 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1CCc3cc(F)cc(F)c3C1)CCO2 ZINC001170696289 891259339 /nfs/dbraw/zinc/25/93/39/891259339.db2.gz RBVLVIHMSRWGJS-LQBOVUBWSA-N 1 0 377.475 3.896 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CCC(C)([NH+]3CCCC3)CC2)c1=S ZINC000872645765 891295131 /nfs/dbraw/zinc/29/51/31/891295131.db2.gz SNHFAWFCLVUKFE-UHFFFAOYSA-N 1 0 387.553 3.768 20 30 GHEDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000247325554 891366803 /nfs/dbraw/zinc/36/68/03/891366803.db2.gz IOTDVBBUGURFSS-FUHIMQAGSA-N 1 0 384.524 3.593 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc(SC)c(C#N)c2)cc1 ZINC001133725795 891531214 /nfs/dbraw/zinc/53/12/14/891531214.db2.gz VNJRSVBXGUSOIW-UHFFFAOYSA-N 1 0 397.544 3.931 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000497448798 891610942 /nfs/dbraw/zinc/61/09/42/891610942.db2.gz RCRMSCBHJSGXNA-GOSISDBHSA-N 1 0 399.535 3.989 20 30 GHEDRO COCC1(C#N)CCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000497459601 891657741 /nfs/dbraw/zinc/65/77/41/891657741.db2.gz IDDYXUDJZDLOPW-IBGZPJMESA-N 1 0 398.551 3.612 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000128357109 891746432 /nfs/dbraw/zinc/74/64/32/891746432.db2.gz DMOJLQITVAQALQ-KORDQABASA-N 1 0 396.579 3.646 20 30 GHEDRO C=CC[N@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cccs1 ZINC000813706498 891916070 /nfs/dbraw/zinc/91/60/70/891916070.db2.gz MKFHEHBQRIUILQ-UHFFFAOYSA-N 1 0 383.517 3.657 20 30 GHEDRO CC[N@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620510 892027525 /nfs/dbraw/zinc/02/75/25/892027525.db2.gz ZLZSEBHXHVHKEM-KRWDZBQOSA-N 1 0 378.476 3.906 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1F ZINC000774825529 913624803 /nfs/dbraw/zinc/62/48/03/913624803.db2.gz DGBWRDMJTSCIET-CJNGLKHVSA-N 1 0 390.418 3.722 20 30 GHEDRO Cc1cc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)cc([N+](=O)[O-])c1C#N ZINC001170718456 892133923 /nfs/dbraw/zinc/13/39/23/892133923.db2.gz HDFMPLGWWBMAIG-KESTWPANSA-N 1 0 397.523 3.526 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(N(C)C)cc1 ZINC000154499215 892449637 /nfs/dbraw/zinc/44/96/37/892449637.db2.gz XNNHJBGRMVLXTG-CYBMUJFWSA-O 1 0 376.571 3.737 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271748515 892868508 /nfs/dbraw/zinc/86/85/08/892868508.db2.gz XCSKJQIFZSIQIA-NHCUHLMSSA-N 1 0 392.499 3.722 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814656993 893014154 /nfs/dbraw/zinc/01/41/54/893014154.db2.gz LOOWUQISMPVMJH-MRXNPFEDSA-N 1 0 392.459 3.584 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000778168822 893018578 /nfs/dbraw/zinc/01/85/78/893018578.db2.gz JZWCNVQUKBOHLJ-UHFFFAOYSA-N 1 0 375.925 3.741 20 30 GHEDRO C[C@@](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)(C1CC1)C(F)(F)F ZINC000933563606 893077201 /nfs/dbraw/zinc/07/72/01/893077201.db2.gz CPHMAEIZAYGKPY-LJQANCHMSA-N 1 0 394.441 3.553 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)OCC)CC2)ccc1OC ZINC000778198029 893231586 /nfs/dbraw/zinc/23/15/86/893231586.db2.gz JMASZAJBCJWHHN-KRWDZBQOSA-N 1 0 390.524 3.997 20 30 GHEDRO CN(Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1cccc(C#N)c1 ZINC000876572816 893234197 /nfs/dbraw/zinc/23/41/97/893234197.db2.gz QAIMZYAMVYWMIW-UHFFFAOYSA-N 1 0 384.480 3.938 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000562987108 893247225 /nfs/dbraw/zinc/24/72/25/893247225.db2.gz QBAOIQGSRPWDGV-UHFFFAOYSA-N 1 0 376.909 3.553 20 30 GHEDRO CC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1cccc(C[NH+](C)C)c1 ZINC000814871484 893249408 /nfs/dbraw/zinc/24/94/08/893249408.db2.gz BOSFMSMBVPDCES-UHFFFAOYSA-N 1 0 386.446 3.755 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000876635112 893266898 /nfs/dbraw/zinc/26/68/98/893266898.db2.gz MLGHRCJUOFAOMR-IBGZPJMESA-N 1 0 397.906 3.617 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000876656864 893277473 /nfs/dbraw/zinc/27/74/73/893277473.db2.gz HJYHHBZXDWJLRC-GJZGRUSLSA-N 1 0 391.924 3.782 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ncc(C2CCOCC2)s1)C(C)C ZINC000455792403 893288326 /nfs/dbraw/zinc/28/83/26/893288326.db2.gz KEYMBCILODLSLU-QGZVFWFLSA-N 1 0 392.569 3.857 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455775425 893294180 /nfs/dbraw/zinc/29/41/80/893294180.db2.gz DCSYUJDHZVSUEC-UHFFFAOYSA-N 1 0 391.825 3.735 20 30 GHEDRO CC(N=Nc1nnc(-c2ccccc2)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000814946995 893294708 /nfs/dbraw/zinc/29/47/08/893294708.db2.gz XEYSXDXVVATYJB-UHFFFAOYSA-N 1 0 381.505 3.982 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccnc1Oc1ccccc1OCCC ZINC000876725699 893302803 /nfs/dbraw/zinc/30/28/03/893302803.db2.gz WCEBEBJBGJNULF-MRXNPFEDSA-N 1 0 389.883 3.749 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCC(CCC#N)CC3)cc2)C[C@@H](C)O1 ZINC000563034355 893302751 /nfs/dbraw/zinc/30/27/51/893302751.db2.gz FYJSZFJTDTZRIF-RTBURBONSA-N 1 0 398.551 3.521 20 30 GHEDRO C[C@H]1CC[C@@H]([N@H+](CCO)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000429767467 893336384 /nfs/dbraw/zinc/33/63/84/893336384.db2.gz DXPIXKVQSXEONY-JKSUJKDBSA-N 1 0 389.565 3.700 20 30 GHEDRO CCN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455801638 893357742 /nfs/dbraw/zinc/35/77/42/893357742.db2.gz ZMYYGHZYMPMVGL-KRWDZBQOSA-N 1 0 383.883 3.735 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000563126620 893385612 /nfs/dbraw/zinc/38/56/12/893385612.db2.gz HACKMJXYSKCEGH-UHFFFAOYSA-N 1 0 385.478 3.661 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876997754 893426565 /nfs/dbraw/zinc/42/65/65/893426565.db2.gz GGGYHLSPNJGXOU-HNNXBMFYSA-N 1 0 397.910 3.714 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNc2cc(C(F)(F)F)cc(C#N)n2)cc1 ZINC001185264541 913766996 /nfs/dbraw/zinc/76/69/96/913766996.db2.gz ZBTLDONRFICVJP-UHFFFAOYSA-N 1 0 378.398 3.915 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000877094615 893481501 /nfs/dbraw/zinc/48/15/01/893481501.db2.gz LDJUANBUTJOBQI-CQSZACIVSA-N 1 0 383.801 3.566 20 30 GHEDRO C=CC[N@@H+](C/C=C\c1ccccc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536676353 893514620 /nfs/dbraw/zinc/51/46/20/893514620.db2.gz MZWKYZZQWXPHRY-YFWYWMRJSA-N 1 0 375.476 3.933 20 30 GHEDRO C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000877224921 893535076 /nfs/dbraw/zinc/53/50/76/893535076.db2.gz PGXWWDVQVSEXEJ-AEFFLSMTSA-N 1 0 385.405 3.789 20 30 GHEDRO CCN(C(=O)NCCc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000466822226 913778967 /nfs/dbraw/zinc/77/89/67/913778967.db2.gz MMMQWCDXHGOMLI-XXBNENTESA-N 1 0 390.531 3.968 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877612472 893720216 /nfs/dbraw/zinc/72/02/16/893720216.db2.gz QJAFMHBFWFDYJW-ZACQAIPSSA-N 1 0 377.529 3.511 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000877654553 893745577 /nfs/dbraw/zinc/74/55/77/893745577.db2.gz QJLBSNYPDBOJAK-KFWWJZLASA-N 1 0 377.451 3.951 20 30 GHEDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000877694478 893767956 /nfs/dbraw/zinc/76/79/56/893767956.db2.gz LKIOPXMROAYWEP-UHFFFAOYSA-N 1 0 390.531 3.739 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](c1ccncc1)C1CC1)CCCC2 ZINC000934689529 893815631 /nfs/dbraw/zinc/81/56/31/893815631.db2.gz OLODEENBNCUFEE-HXUWFJFHSA-N 1 0 380.517 3.963 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC000877816048 893822617 /nfs/dbraw/zinc/82/26/17/893822617.db2.gz BNXAJXMFAJHPSE-HZPDHXFCSA-N 1 0 383.414 3.693 20 30 GHEDRO C=CCCOCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000536840958 893916292 /nfs/dbraw/zinc/91/62/92/893916292.db2.gz UDXINSAADHVTGE-GOSISDBHSA-N 1 0 394.581 3.931 20 30 GHEDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000459637029 893947565 /nfs/dbraw/zinc/94/75/65/893947565.db2.gz HVDNFGLCLRQIBD-QZTJIDSGSA-N 1 0 382.483 3.857 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000459684812 894003516 /nfs/dbraw/zinc/00/35/16/894003516.db2.gz DXBYHTLARTZWFU-TZMCWYRMSA-N 1 0 382.302 3.618 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000459684804 894004349 /nfs/dbraw/zinc/00/43/49/894004349.db2.gz DXBYHTLARTZWFU-OCCSQVGLSA-N 1 0 382.302 3.618 20 30 GHEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000459691604 894081276 /nfs/dbraw/zinc/08/12/76/894081276.db2.gz KPWPNXNIYIVWCG-UHFFFAOYSA-N 1 0 375.347 3.574 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563713387 894096443 /nfs/dbraw/zinc/09/64/43/894096443.db2.gz HPOZQERHHCNZSZ-IBGZPJMESA-N 1 0 395.341 3.598 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)s1)C(=S)NC[C@H]1CCCO1 ZINC000022692201 894282562 /nfs/dbraw/zinc/28/25/62/894282562.db2.gz KFUPKDQXUIUHCY-MRXNPFEDSA-O 1 0 389.566 3.614 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(CO)c2)s1 ZINC000022730817 894334571 /nfs/dbraw/zinc/33/45/71/894334571.db2.gz PKFKMEFLFINERD-UHFFFAOYSA-O 1 0 397.545 3.565 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1CC ZINC000022795513 894406780 /nfs/dbraw/zinc/40/67/80/894406780.db2.gz CTGIOCWGNWYWAW-UHFFFAOYSA-O 1 0 384.481 3.549 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC000878619176 894445180 /nfs/dbraw/zinc/44/51/80/894445180.db2.gz AHPBTAMNTHRJGY-UWJYYQICSA-N 1 0 376.460 3.908 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC[C@@H]21 ZINC000878675638 894503877 /nfs/dbraw/zinc/50/38/77/894503877.db2.gz RBLUEGCRLDKPCX-UWJYYQICSA-N 1 0 376.460 3.908 20 30 GHEDRO COc1ccc([C@H](CNC(=O)/C=C\C(=O)c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC001135450726 894605034 /nfs/dbraw/zinc/60/50/34/894605034.db2.gz KBFZBFUIUJKIBV-MBWOQUJGSA-N 1 0 392.499 3.696 20 30 GHEDRO COc1ccc([C@H](CNC(=O)/C=C/C(=O)c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC001135450727 894605399 /nfs/dbraw/zinc/60/53/99/894605399.db2.gz KBFZBFUIUJKIBV-TWLJRWAQSA-N 1 0 392.499 3.696 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000879210134 894907262 /nfs/dbraw/zinc/90/72/62/894907262.db2.gz SZPMCUHBCBVKNB-KRWDZBQOSA-N 1 0 396.560 3.813 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)C2)c1 ZINC000537407418 894926196 /nfs/dbraw/zinc/92/61/96/894926196.db2.gz KKSVGWNMWQRXCN-JKSUJKDBSA-N 1 0 383.467 3.892 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000879669163 895218015 /nfs/dbraw/zinc/21/80/15/895218015.db2.gz IYRHQLVBSPRLRY-KBRIMQKVSA-N 1 0 383.389 3.948 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000879712948 895251436 /nfs/dbraw/zinc/25/14/36/895251436.db2.gz MUJIECJIBPQPKU-NWDGAFQWSA-N 1 0 380.473 3.927 20 30 GHEDRO Cn1cc([C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2(C)C)cn1 ZINC000565168822 895435483 /nfs/dbraw/zinc/43/54/83/895435483.db2.gz FITSKDLWNSNEDT-GOSISDBHSA-N 1 0 377.410 3.796 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 ZINC000880159028 895545787 /nfs/dbraw/zinc/54/57/87/895545787.db2.gz FCANBHNRIDEFNN-UHFFFAOYSA-N 1 0 388.487 3.968 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000565349788 895554236 /nfs/dbraw/zinc/55/42/36/895554236.db2.gz UAWAGEFVPKLBLL-KRWDZBQOSA-N 1 0 378.586 3.637 20 30 GHEDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817418269 895594122 /nfs/dbraw/zinc/59/41/22/895594122.db2.gz ISLFSNGYKDIISU-NUJGCVRESA-N 1 0 397.523 3.577 20 30 GHEDRO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880285931 895618226 /nfs/dbraw/zinc/61/82/26/895618226.db2.gz OYFQHZWKPOMZCI-DLBZAZTESA-N 1 0 378.463 3.604 20 30 GHEDRO C=CC[N@H+](CC(Cc1ccccc1)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000565788287 895876858 /nfs/dbraw/zinc/87/68/58/895876858.db2.gz FMTDBRJMEYZJFN-QHCPKHFHSA-N 1 0 383.557 3.763 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1cc(Br)ccc1C#N ZINC001185693633 914022590 /nfs/dbraw/zinc/02/25/90/914022590.db2.gz RAKCKIDAZWWXDR-UHFFFAOYSA-N 1 0 383.293 3.761 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C[C@@H]1C ZINC000880928277 896006360 /nfs/dbraw/zinc/00/63/60/896006360.db2.gz PHIGQXZEMGBWKM-JQFCIGGWSA-N 1 0 382.430 3.676 20 30 GHEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2C(=O)OC(C)(C)C)nn1 ZINC000818347270 896102756 /nfs/dbraw/zinc/10/27/56/896102756.db2.gz OVIULUGRYLNVTM-QRVBRYPASA-N 1 0 389.544 3.512 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000566219064 896181484 /nfs/dbraw/zinc/18/14/84/896181484.db2.gz GYCJUNYKVSAZTD-MRXNPFEDSA-N 1 0 385.478 3.517 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910609 896206038 /nfs/dbraw/zinc/20/60/38/896206038.db2.gz LTDCURBWATZJIJ-IBGZPJMESA-N 1 0 393.918 3.963 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000566409079 896293338 /nfs/dbraw/zinc/29/33/38/896293338.db2.gz WVXCMUKNSKIPTP-UHFFFAOYSA-N 1 0 387.487 3.882 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000819068070 896385436 /nfs/dbraw/zinc/38/54/36/896385436.db2.gz OQWRHFZJMPDZAG-YZUZCNPQSA-N 1 0 394.515 3.912 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)ccc1OC ZINC000819069274 896386297 /nfs/dbraw/zinc/38/62/97/896386297.db2.gz NSVKHEUZDRDMNF-QAPCUYQASA-N 1 0 392.858 3.992 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000819152821 896409120 /nfs/dbraw/zinc/40/91/20/896409120.db2.gz CHEKLXNTHVDEGA-NQIIRXRSSA-N 1 0 378.472 3.528 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000819110292 896416868 /nfs/dbraw/zinc/41/68/68/896416868.db2.gz AZGGIUNHMUVMIA-KBPBESRZSA-N 1 0 385.986 3.582 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000819183998 896452216 /nfs/dbraw/zinc/45/22/16/896452216.db2.gz VLROZMXOALLSCB-PMACEKPBSA-N 1 0 387.524 3.629 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)CC2)nc1 ZINC000819200816 896472153 /nfs/dbraw/zinc/47/21/53/896472153.db2.gz VZJPURFKIFMQCI-RJYAGPCLSA-N 1 0 389.858 3.759 20 30 GHEDRO CC(C)(C)C#CC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001136213259 896593351 /nfs/dbraw/zinc/59/33/51/896593351.db2.gz GOCWFFFODFYZKS-UHFFFAOYSA-N 1 0 389.543 3.675 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819367075 896642038 /nfs/dbraw/zinc/64/20/38/896642038.db2.gz CVWRFPWYKONKQT-RTWAWAEBSA-N 1 0 388.552 3.771 20 30 GHEDRO N#CC1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000566952312 896734791 /nfs/dbraw/zinc/73/47/91/896734791.db2.gz GYIRHDBJUPBIII-LEWJYISDSA-N 1 0 393.918 3.976 20 30 GHEDRO COc1cc(-c2noc(/C=C/c3ccc(C#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000567317869 897055098 /nfs/dbraw/zinc/05/50/98/897055098.db2.gz IFFYKDCUIXLIGN-DHZHZOJOSA-N 1 0 390.443 3.728 20 30 GHEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000130857853 897235583 /nfs/dbraw/zinc/23/55/83/897235583.db2.gz RBKFHHUZAOKCTL-KRWDZBQOSA-N 1 0 385.533 3.545 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000883345447 897514886 /nfs/dbraw/zinc/51/48/86/897514886.db2.gz CGGFMFSDVVGNNW-AVRDEDQJSA-N 1 0 376.504 3.874 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1F ZINC000820737576 897524570 /nfs/dbraw/zinc/52/45/70/897524570.db2.gz GNVHSPQRTDMPFZ-LJQANCHMSA-N 1 0 377.891 3.671 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000568156727 897641455 /nfs/dbraw/zinc/64/14/55/897641455.db2.gz NDOPNBDOVSPDMQ-JCTONOIOSA-N 1 0 394.515 3.781 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH3+])C[C@H]2C)cc1OCC ZINC000568161929 897648772 /nfs/dbraw/zinc/64/87/72/897648772.db2.gz LZKGIFRCYUQFEI-UKRRQHHQSA-N 1 0 383.330 3.724 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC001170958086 897705636 /nfs/dbraw/zinc/70/56/36/897705636.db2.gz IYOHXZIOBRLJGC-CVEARBPZSA-N 1 0 380.554 3.561 20 30 GHEDRO CCC1([NH3+])CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 ZINC000883563470 897712859 /nfs/dbraw/zinc/71/28/59/897712859.db2.gz OWGBMUZCIJOPSQ-UHFFFAOYSA-N 1 0 394.523 3.777 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2cc(Br)ccc2o1 ZINC000104326976 898139581 /nfs/dbraw/zinc/13/95/81/898139581.db2.gz RRPXFRIAMWKKIB-UHFFFAOYSA-N 1 0 378.270 3.503 20 30 GHEDRO N#Cc1nc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)sc1Cl ZINC001185958497 914226760 /nfs/dbraw/zinc/22/67/60/914226760.db2.gz TVFQZQGQBUFIAS-UHFFFAOYSA-N 1 0 376.913 3.797 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000569188251 898402198 /nfs/dbraw/zinc/40/21/98/898402198.db2.gz PEAXAPCTMYCVIU-JOCHJYFZSA-N 1 0 381.520 3.725 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC000800048963 898536154 /nfs/dbraw/zinc/53/61/54/898536154.db2.gz DJWHYAOOTHMVAV-KRWDZBQOSA-N 1 0 387.955 3.538 20 30 GHEDRO COc1ccccc1Oc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884063036 898738864 /nfs/dbraw/zinc/73/88/64/898738864.db2.gz KSRHGGNAIZEXAR-BXFSZVDSSA-N 1 0 377.444 3.565 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1cc3ccccc3o1)c1ccccc1)C2 ZINC000884063981 898744871 /nfs/dbraw/zinc/74/48/71/898744871.db2.gz RYHZVWHLSMJLPS-FIKJNTHVSA-N 1 0 385.467 3.778 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(F)(F)c1cnc(Cl)c(C)c1)C(C)C ZINC001136649682 898756201 /nfs/dbraw/zinc/75/62/01/898756201.db2.gz AUXDWRPEMAQBGE-MRXNPFEDSA-N 1 0 385.886 3.950 20 30 GHEDRO N#CCOc1ccc(CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000155430734 898774529 /nfs/dbraw/zinc/77/45/29/898774529.db2.gz KTHSQKMRTLZPSF-UHFFFAOYSA-N 1 0 393.487 3.635 20 30 GHEDRO Cc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(OCc2ccccc2)c1 ZINC000884085637 898825181 /nfs/dbraw/zinc/82/51/81/898825181.db2.gz ZRJVFMKEKYVKNT-KPRXVCGWSA-N 1 0 375.472 3.652 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000569668150 898865983 /nfs/dbraw/zinc/86/59/83/898865983.db2.gz AZSPLHPRINJOGA-NRFANRHFSA-N 1 0 377.488 3.692 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000569783411 898950918 /nfs/dbraw/zinc/95/09/18/898950918.db2.gz RQRDAGRLAMKUGI-PZJWPPBQSA-N 1 0 390.535 3.851 20 30 GHEDRO CC(C)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884120419 898953328 /nfs/dbraw/zinc/95/33/28/898953328.db2.gz LJLCXCPJYHISJJ-OGFXQLCQSA-N 1 0 379.426 3.658 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001171013820 898953798 /nfs/dbraw/zinc/95/37/98/898953798.db2.gz VWZIQZXDMIXQRA-HXUWFJFHSA-N 1 0 392.478 3.841 20 30 GHEDRO Cc1cccc(COc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2)c1 ZINC000884135416 899032410 /nfs/dbraw/zinc/03/24/10/899032410.db2.gz JVQFRAKVCZGANI-FVRICEFQSA-N 1 0 375.472 3.652 20 30 GHEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570077289 899107718 /nfs/dbraw/zinc/10/77/18/899107718.db2.gz ZYKBFZSWYBNOFF-RTBURBONSA-N 1 0 379.504 3.581 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289737793 914322576 /nfs/dbraw/zinc/32/25/76/914322576.db2.gz IQAHHFFPBQIEAP-MRXNPFEDSA-N 1 0 379.464 3.551 20 30 GHEDRO N#Cc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1OC(F)(F)F ZINC000331833823 899199530 /nfs/dbraw/zinc/19/95/30/899199530.db2.gz AJGSMFCUJFBTAM-UHFFFAOYSA-N 1 0 396.413 3.985 20 30 GHEDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1O ZINC000331915976 899263543 /nfs/dbraw/zinc/26/35/43/899263543.db2.gz JGDJYQZJQXFJBP-IAGOWNOFSA-N 1 0 389.565 3.556 20 30 GHEDRO COC(=O)c1ccc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C#N)n1 ZINC000570463247 899327530 /nfs/dbraw/zinc/32/75/30/899327530.db2.gz WMQHNQGXTMYLTF-MRXNPFEDSA-N 1 0 378.476 3.584 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccsc3C(F)F)CC2)c1 ZINC000824115147 899417478 /nfs/dbraw/zinc/41/74/78/899417478.db2.gz KZKIOXHLGYCQCF-UHFFFAOYSA-N 1 0 375.444 3.952 20 30 GHEDRO CC[NH+]=C(NCc1c(C)noc1C)NCc1ccc(Br)cc1C ZINC000156213181 899542140 /nfs/dbraw/zinc/54/21/40/899542140.db2.gz BDQXEYPTQYKQLP-UHFFFAOYSA-N 1 0 379.302 3.618 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000824494508 899638011 /nfs/dbraw/zinc/63/80/11/899638011.db2.gz BWKDLMJGRLRDKM-FOLVSLTJSA-N 1 0 381.398 3.532 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332506913 899719566 /nfs/dbraw/zinc/71/95/66/899719566.db2.gz SYYFROLYNWDGMA-KSZLIROESA-N 1 0 386.565 3.578 20 30 GHEDRO CC(C)n1cc(C2=CCC[N@H+](Cc3ccc(N(C)CCC#N)cc3)CC2)nn1 ZINC000824737912 899773538 /nfs/dbraw/zinc/77/35/38/899773538.db2.gz GPBNHHOYNQHHDB-UHFFFAOYSA-N 1 0 378.524 3.888 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000571199977 899779921 /nfs/dbraw/zinc/77/99/21/899779921.db2.gz NKELBPFZSYUNDV-LPHOPBHVSA-N 1 0 379.508 3.899 20 30 GHEDRO COc1cccc(C2(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000289862638 914388669 /nfs/dbraw/zinc/38/86/69/914388669.db2.gz OOQQXBQEBUDWOY-UHFFFAOYSA-N 1 0 387.487 3.689 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135304087 900219737 /nfs/dbraw/zinc/21/97/37/900219737.db2.gz FJAZJLVKEMWUGD-SJORKVTESA-N 1 0 388.487 3.846 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000573407766 900501247 /nfs/dbraw/zinc/50/12/47/900501247.db2.gz ZRRSXIHPOWMMRH-UHFFFAOYSA-N 1 0 399.857 3.580 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[NH+](C)C)cc1 ZINC000573479159 900528197 /nfs/dbraw/zinc/52/81/97/900528197.db2.gz WPUKXFNPJZRDGM-FQEVSTJZSA-N 1 0 379.529 3.996 20 30 GHEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000573722132 900607765 /nfs/dbraw/zinc/60/77/65/900607765.db2.gz GLAHDFSSWATSEZ-WOJBJXKFSA-N 1 0 387.483 3.840 20 30 GHEDRO CCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886043613 900688356 /nfs/dbraw/zinc/68/83/56/900688356.db2.gz GIDAQKUTIJRADG-SFHVURJKSA-N 1 0 379.545 3.543 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844330176 900703479 /nfs/dbraw/zinc/70/34/79/900703479.db2.gz MHBZNUWCQBYCTN-KRWDZBQOSA-N 1 0 388.468 3.736 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(F)ccc(OC)c1F)CC2 ZINC001143970330 900831694 /nfs/dbraw/zinc/83/16/94/900831694.db2.gz HXKYRCLKWIBHQL-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000574342076 900850373 /nfs/dbraw/zinc/85/03/73/900850373.db2.gz POTOVKYKXXAWEB-UHFFFAOYSA-N 1 0 383.540 3.580 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000290021000 914483836 /nfs/dbraw/zinc/48/38/36/914483836.db2.gz ZPKYZSKZNKEGJX-NFBKMPQASA-N 1 0 380.488 3.634 20 30 GHEDRO COc1ccc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000844596280 901060998 /nfs/dbraw/zinc/06/09/98/901060998.db2.gz JNUVROPHYABAKC-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)ccc1C#N ZINC000575035918 901099526 /nfs/dbraw/zinc/09/95/26/901099526.db2.gz VRHCNUMWLITAOB-MRXNPFEDSA-N 1 0 390.270 3.769 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)CC2 ZINC000575112829 901123094 /nfs/dbraw/zinc/12/30/94/901123094.db2.gz DQICOOTZTRQNIE-LPHOPBHVSA-N 1 0 376.378 3.594 20 30 GHEDRO C#CCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)C1CC[NH+](C)CC1 ZINC000886578708 901176267 /nfs/dbraw/zinc/17/62/67/901176267.db2.gz ISGLRGNOSMZURV-UHFFFAOYSA-N 1 0 389.471 3.917 20 30 GHEDRO Cc1nc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)[nH]c1C ZINC000886664354 901213174 /nfs/dbraw/zinc/21/31/74/901213174.db2.gz JWSXNPNBPHBNOJ-UHFFFAOYSA-N 1 0 385.899 3.760 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(C)cc(Br)c3)C2)C1=O ZINC001144214383 901269464 /nfs/dbraw/zinc/26/94/64/901269464.db2.gz BXLFCEDVASWWSA-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000575748892 901272625 /nfs/dbraw/zinc/27/26/25/901272625.db2.gz QAKMOECDIGKKHI-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(CC)nc2ccc(Cl)cn21)C(C)C ZINC001144204106 901281726 /nfs/dbraw/zinc/28/17/26/901281726.db2.gz KFRMKJITIQKSMJ-SFHVURJKSA-N 1 0 388.943 3.979 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)c1C#N ZINC000575809289 901325371 /nfs/dbraw/zinc/32/53/71/901325371.db2.gz NKKNXRSJRJSXFC-DENIHFKCSA-N 1 0 386.540 3.561 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@]2(C)CO)c1C#N ZINC000575809290 901325464 /nfs/dbraw/zinc/32/54/64/901325464.db2.gz NKKNXRSJRJSXFC-KNQAVFIVSA-N 1 0 386.540 3.561 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000091247680 901445511 /nfs/dbraw/zinc/44/55/11/901445511.db2.gz IKHNPCIXDZRIMA-UWJYYQICSA-N 1 0 376.504 3.849 20 30 GHEDRO C#CCC1([NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CCOCC1 ZINC000887126128 901447126 /nfs/dbraw/zinc/44/71/26/901447126.db2.gz XSFXJYPCAWLFOD-UPVQGACJSA-N 1 0 393.527 3.624 20 30 GHEDRO N#CCCn1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000093683425 901560775 /nfs/dbraw/zinc/56/07/75/901560775.db2.gz FVRDXQAADHPWAB-FQEVSTJZSA-N 1 0 377.536 3.772 20 30 GHEDRO COc1cccc(/C(C)=C/C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000845003151 901633724 /nfs/dbraw/zinc/63/37/24/901633724.db2.gz RXHDDECGFSGYAQ-QGOAFFKASA-N 1 0 389.499 3.751 20 30 GHEDRO COc1ccccc1/C(C)=C/C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845004315 901636718 /nfs/dbraw/zinc/63/67/18/901636718.db2.gz ZECXEGZDGNUDLP-NBVRZTHBSA-N 1 0 389.499 3.751 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000576151399 901728971 /nfs/dbraw/zinc/72/89/71/901728971.db2.gz RHHLWPKKELEXFI-GHTZIAJQSA-N 1 0 377.488 3.691 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)[C@H](C)C1 ZINC000122134582 901730747 /nfs/dbraw/zinc/73/07/47/901730747.db2.gz KJNQMWVPYALLBT-VQIMIIECSA-N 1 0 381.476 3.533 20 30 GHEDRO COc1cccc(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC001186476679 914563173 /nfs/dbraw/zinc/56/31/73/914563173.db2.gz KLQJZGZELSSBQH-HZCBDIJESA-N 1 0 391.515 3.717 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)CC1 ZINC000122649685 901818594 /nfs/dbraw/zinc/81/85/94/901818594.db2.gz YRSWQNDTXDPIQD-GOSISDBHSA-N 1 0 390.959 3.510 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000576434608 902019059 /nfs/dbraw/zinc/01/90/59/902019059.db2.gz YALXIJMTGFGYSC-QUCCMNQESA-N 1 0 392.551 3.634 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000576531761 902078835 /nfs/dbraw/zinc/07/88/35/902078835.db2.gz BNJIEFRSUAGLOR-IYMVHMEZSA-N 1 0 389.565 3.659 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001171179030 902122558 /nfs/dbraw/zinc/12/25/58/902122558.db2.gz OIHSFMCEEMGLKK-YLJYHZDGSA-N 1 0 399.535 3.637 20 30 GHEDRO COc1ccccc1-n1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)ccc1=O ZINC001171184921 902167617 /nfs/dbraw/zinc/16/76/17/902167617.db2.gz CLLVAHGUINKLQQ-UHFFFAOYSA-N 1 0 385.423 3.742 20 30 GHEDRO CCON(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845748290 902364943 /nfs/dbraw/zinc/36/49/43/902364943.db2.gz YKVMIVXAOQVPOP-UHFFFAOYSA-N 1 0 392.503 3.686 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1Br ZINC000126903037 902388240 /nfs/dbraw/zinc/38/82/40/902388240.db2.gz PQIALZCCQRUCLA-SJKOYZFVSA-N 1 0 375.266 3.714 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008105 902588942 /nfs/dbraw/zinc/58/89/42/902588942.db2.gz UJNMZMLECMAGLC-QFIPXVFZSA-N 1 0 396.441 3.804 20 30 GHEDRO Cc1ccnc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1C#N ZINC000577300494 902661827 /nfs/dbraw/zinc/66/18/27/902661827.db2.gz GQWVTWJGHQOEPD-FQEVSTJZSA-N 1 0 376.504 3.602 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001171210218 902672154 /nfs/dbraw/zinc/67/21/54/902672154.db2.gz QNSKGQUNDVJCQI-SFHVURJKSA-N 1 0 377.488 3.853 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)cc1 ZINC000577449624 902781597 /nfs/dbraw/zinc/78/15/97/902781597.db2.gz NHSNIQGJBKJVIU-LJQANCHMSA-N 1 0 377.488 3.850 20 30 GHEDRO N#Cc1cccc(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1F ZINC000577454307 902785351 /nfs/dbraw/zinc/78/53/51/902785351.db2.gz PGVCRTAUZSSTRE-UHFFFAOYSA-N 1 0 389.430 3.516 20 30 GHEDRO C=CCOCCCC(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000129694283 902840638 /nfs/dbraw/zinc/84/06/38/902840638.db2.gz UNFCMSWGSJNXCQ-FQEVSTJZSA-N 1 0 382.508 3.560 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2Oc2cccc(F)c2)CCOCC1 ZINC000600723471 902844743 /nfs/dbraw/zinc/84/47/43/902844743.db2.gz VADVKNRZEALKAI-IBGZPJMESA-N 1 0 384.451 3.779 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000600736216 902859300 /nfs/dbraw/zinc/85/93/00/902859300.db2.gz RJCWJIHPUNBXIX-KBAYOESNSA-N 1 0 382.426 3.612 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000600784758 902908730 /nfs/dbraw/zinc/90/87/30/902908730.db2.gz KMRYSDGKWQMMMV-OAQYLSRUSA-N 1 0 391.490 3.689 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc(OC)c1OC ZINC000772948325 903126418 /nfs/dbraw/zinc/12/64/18/903126418.db2.gz WDZPGATVHJNPAT-UHFFFAOYSA-N 1 0 381.520 3.582 20 30 GHEDRO N#Cc1cnc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000887613598 903148377 /nfs/dbraw/zinc/14/83/77/903148377.db2.gz KJXZEIXDWQZYFX-UHFFFAOYSA-N 1 0 394.906 3.834 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000578037059 903463953 /nfs/dbraw/zinc/46/39/53/903463953.db2.gz RVPXSXTZCDZWAQ-UHFFFAOYSA-N 1 0 390.531 3.832 20 30 GHEDRO N#CC1(Nc2cccc(OCC(F)(F)F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001171274509 903466361 /nfs/dbraw/zinc/46/63/61/903466361.db2.gz KHWBCPKUFMOOHN-UHFFFAOYSA-N 1 0 390.409 3.993 20 30 GHEDRO N#CC1(Nc2cc(C(F)(F)F)nc(=S)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001171275397 903475067 /nfs/dbraw/zinc/47/50/67/903475067.db2.gz ZKGDSJJPHMKODS-UHFFFAOYSA-N 1 0 393.438 3.754 20 30 GHEDRO COCCc1nc(Cl)c(C)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171275350 903475123 /nfs/dbraw/zinc/47/51/23/903475123.db2.gz SUUBAWIOMPXFFK-UHFFFAOYSA-N 1 0 399.926 3.598 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000578084751 903504369 /nfs/dbraw/zinc/50/43/69/903504369.db2.gz XFXFWBWALRAWKY-CQSZACIVSA-N 1 0 390.325 3.579 20 30 GHEDRO COC(=O)c1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc2[nH]ccc21 ZINC001171277210 903527957 /nfs/dbraw/zinc/52/79/57/903527957.db2.gz NJHLCQUSCAOINU-UHFFFAOYSA-N 1 0 388.471 3.925 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001146800235 903612368 /nfs/dbraw/zinc/61/23/68/903612368.db2.gz UPJOHUQJOATMQB-QGZVFWFLSA-N 1 0 377.488 3.960 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CCc3c(Cl)ccc(OC)c3C1)C2 ZINC001171291965 903637898 /nfs/dbraw/zinc/63/78/98/903637898.db2.gz HILVWJWMKLEMJA-DLBZAZTESA-N 1 0 398.934 3.701 20 30 GHEDRO N#Cc1ccc([C@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CCO2)cc1 ZINC000887736645 903695066 /nfs/dbraw/zinc/69/50/66/903695066.db2.gz GCIUZEUKRYSOPL-HSZRJFAPSA-N 1 0 389.499 3.758 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000772983109 903861785 /nfs/dbraw/zinc/86/17/85/903861785.db2.gz JEJNTKFXTRGVPU-BEFAXECRSA-N 1 0 387.505 3.590 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147969846 903922983 /nfs/dbraw/zinc/92/29/83/903922983.db2.gz ZXRCSONQIWQJOP-UHFFFAOYSA-N 1 0 396.922 3.929 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000772985148 903947726 /nfs/dbraw/zinc/94/77/26/903947726.db2.gz STMSAJHUEHEVEB-AAIMPIBUSA-N 1 0 378.520 3.763 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001148500354 904099011 /nfs/dbraw/zinc/09/90/11/904099011.db2.gz XBLGLBOYSKYYEB-LJQANCHMSA-N 1 0 380.463 3.731 20 30 GHEDRO N#CC(CC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)(c1ccccc1)c1ccccc1 ZINC000578835372 904161838 /nfs/dbraw/zinc/16/18/38/904161838.db2.gz OJJVNQGCCFHDPR-ZTCOLXNVSA-N 1 0 390.527 3.748 20 30 GHEDRO Cn1cc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccc(C(C)(C)C)cc2)cn1 ZINC000151924468 904214076 /nfs/dbraw/zinc/21/40/76/904214076.db2.gz CKAPTIULOMCAGH-UHFFFAOYSA-O 1 0 399.584 3.866 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030333 904388308 /nfs/dbraw/zinc/38/83/08/904388308.db2.gz OEARJNXDNQMKLC-LBPRGKRZSA-N 1 0 375.831 3.866 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC000773042489 904393958 /nfs/dbraw/zinc/39/39/58/904393958.db2.gz BFBLKPNALRPKPD-CVDCTZTESA-N 1 0 376.500 3.583 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1C#N ZINC000773082266 904417951 /nfs/dbraw/zinc/41/79/51/904417951.db2.gz HEEJCMRHFWCEDY-OAHLLOKOSA-N 1 0 385.895 3.908 20 30 GHEDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000159969643 904432339 /nfs/dbraw/zinc/43/23/39/904432339.db2.gz FLSQKMUJOSURRW-SIKLNZKXSA-N 1 0 379.504 3.686 20 30 GHEDRO Cc1cc2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2n(C)c1=O ZINC000579307593 904500070 /nfs/dbraw/zinc/50/00/70/904500070.db2.gz DODHHDSZPBPTIY-UHFFFAOYSA-N 1 0 386.499 3.795 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000579359168 904541358 /nfs/dbraw/zinc/54/13/58/904541358.db2.gz GMEDJJQQUSSBAH-IFMALSPDSA-N 1 0 390.487 3.953 20 30 GHEDRO CCCN(C(=O)c1ncc(C#N)cc1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889489524 904600765 /nfs/dbraw/zinc/60/07/65/904600765.db2.gz MUDICOJNWOWOSD-UHFFFAOYSA-N 1 0 376.504 3.779 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000579449288 904617967 /nfs/dbraw/zinc/61/79/67/904617967.db2.gz GRROLVPYMHPLIW-HSZRJFAPSA-N 1 0 392.503 3.957 20 30 GHEDRO C[C@@H](SCC1CC[NH2+]CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000579470417 904632658 /nfs/dbraw/zinc/63/26/58/904632658.db2.gz HUNQCXYKHBLMEA-CYBMUJFWSA-N 1 0 377.579 3.948 20 30 GHEDRO C#CC1CC[NH+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC001171489026 904731696 /nfs/dbraw/zinc/73/16/96/904731696.db2.gz COPIISFVTRQYDN-SFHVURJKSA-N 1 0 375.310 3.598 20 30 GHEDRO COC(=O)C1(Nc2ccc(/C(C)=N/O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171510768 904786869 /nfs/dbraw/zinc/78/68/69/904786869.db2.gz GTTYVCUARQSZSR-JJIBRWJFSA-N 1 0 381.476 3.505 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000188130046 904877573 /nfs/dbraw/zinc/87/75/73/904877573.db2.gz SCKWCVARYTUZAG-FQEVSTJZSA-N 1 0 392.503 3.612 20 30 GHEDRO C#CCOc1ccc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000075324983 904903493 /nfs/dbraw/zinc/90/34/93/904903493.db2.gz BHICWFFMYRNXRP-NRFANRHFSA-N 1 0 376.500 3.683 20 30 GHEDRO CCCCCCCS(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001186893779 914858026 /nfs/dbraw/zinc/85/80/26/914858026.db2.gz UZWFFSCMLGKNQV-UHFFFAOYSA-N 1 0 376.632 3.628 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1C[C@@H](C)N(Cc3ccccc3)C1)CC2 ZINC001171750344 904977689 /nfs/dbraw/zinc/97/76/89/904977689.db2.gz KSIVCVLPXDIUKJ-SFLYRZDNSA-N 1 0 381.564 3.683 20 30 GHEDRO C=CC[C@]1(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000189094128 905029703 /nfs/dbraw/zinc/02/97/03/905029703.db2.gz FJNRMNJMEMKCSG-JOCHJYFZSA-N 1 0 393.572 3.711 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC001171814814 905073143 /nfs/dbraw/zinc/07/31/43/905073143.db2.gz NQEJXPRGTZMRBV-PZJWPPBQSA-N 1 0 375.472 3.825 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(F)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000189563432 905164663 /nfs/dbraw/zinc/16/46/63/905164663.db2.gz GQMOEVJCFBOHGL-NHCUHLMSSA-N 1 0 394.450 3.805 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001171922157 905175554 /nfs/dbraw/zinc/17/55/54/905175554.db2.gz PMBBBVSUQXFGRC-UHFFFAOYSA-N 1 0 392.540 3.607 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)o1 ZINC000174333810 905257110 /nfs/dbraw/zinc/25/71/10/905257110.db2.gz NROUQRALHZWLAM-UHFFFAOYSA-N 1 0 375.266 3.752 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4CSc5ccccc5C4)C3)CC2=O)c1 ZINC001172206802 905404294 /nfs/dbraw/zinc/40/42/94/905404294.db2.gz YCLKFDWIIYRKFD-NZQKXSOJSA-N 1 0 389.524 3.704 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172209876 905407739 /nfs/dbraw/zinc/40/77/39/905407739.db2.gz VBHCDPGDNIBNKS-HXUWFJFHSA-N 1 0 392.528 3.861 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001172304801 905459467 /nfs/dbraw/zinc/45/94/67/905459467.db2.gz PUTNYRTYOAAVMF-PVERMEFCSA-N 1 0 391.515 3.723 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001172307147 905463128 /nfs/dbraw/zinc/46/31/28/905463128.db2.gz DYORTRGOMZVSKZ-LZQXYRQZSA-N 1 0 391.515 3.580 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@@H+]([C@@H](C)Cc4ccc(C#N)cc4)C3)CC2=O)s1 ZINC001172307796 905465340 /nfs/dbraw/zinc/46/53/40/905465340.db2.gz JMOSNZBUVWAGPN-AOMKIAJQSA-N 1 0 379.529 3.988 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001172290608 905480194 /nfs/dbraw/zinc/48/01/94/905480194.db2.gz QWHDPJDIULKVQD-YLJYHZDGSA-N 1 0 399.535 3.637 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3sccc3C#N)c(OCC)c2)CC1 ZINC000190078885 905525851 /nfs/dbraw/zinc/52/58/51/905525851.db2.gz YPAZIOYYKMACDU-UHFFFAOYSA-N 1 0 398.532 3.803 20 30 GHEDRO C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190107902 905543496 /nfs/dbraw/zinc/54/34/96/905543496.db2.gz PCGVUFKCPGPWED-DOTOQJQBSA-N 1 0 378.438 3.826 20 30 GHEDRO CC(=O)NCCC[C@H]([NH2+][C@H](C)CCCC#N)C(=O)Nc1ccc2ccccc2c1 ZINC001172490810 905596253 /nfs/dbraw/zinc/59/62/53/905596253.db2.gz ASNSFPRNEXFTIX-VGSWGCGISA-N 1 0 394.519 3.735 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c(Br)c1 ZINC000801582542 921160202 /nfs/dbraw/zinc/16/02/02/921160202.db2.gz UMIUMNWOTWQUNZ-HXUWFJFHSA-N 1 0 385.305 3.847 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CC1)c1cc(Br)ccc1NC2=O ZINC001172497704 905599908 /nfs/dbraw/zinc/59/99/08/905599908.db2.gz DTEGICUNXMMZAZ-ZDUSSCGKSA-N 1 0 376.298 3.817 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000175577318 905600112 /nfs/dbraw/zinc/60/01/12/905600112.db2.gz UXPKPJXVWUNZIM-SEJPIABJSA-N 1 0 396.535 3.638 20 30 GHEDRO CCCCCCC[C@H](CCC)[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001172511684 905605768 /nfs/dbraw/zinc/60/57/68/905605768.db2.gz UNGFZDLFVXUQKA-AABGKKOBSA-N 1 0 387.634 3.576 20 30 GHEDRO [NH2+]=C(N[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1)c1ccc(Cl)cn1 ZINC001172514137 905607818 /nfs/dbraw/zinc/60/78/18/905607818.db2.gz GGEIJIUIZNRVIB-JENIJYKNSA-N 1 0 396.922 3.771 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520364 905616320 /nfs/dbraw/zinc/61/63/20/905616320.db2.gz MAQIEJIQNJRFFM-GPJHCHHRSA-N 1 0 381.564 3.557 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172726428 905776179 /nfs/dbraw/zinc/77/61/79/905776179.db2.gz WHFUXNCFKQHYQN-NRFANRHFSA-N 1 0 394.906 3.965 20 30 GHEDRO CCOc1ccc([C@H](O)C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 ZINC000365811219 921180064 /nfs/dbraw/zinc/18/00/64/921180064.db2.gz BSXGLUJQDRAVGM-QHCPKHFHSA-N 1 0 390.487 3.550 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000176562763 905875124 /nfs/dbraw/zinc/87/51/24/905875124.db2.gz WCRZYUIKZJVXJM-UHFFFAOYSA-N 1 0 388.459 3.882 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908267 905936552 /nfs/dbraw/zinc/93/65/52/905936552.db2.gz LNKHNEDSPZCVJH-HXUWFJFHSA-N 1 0 376.460 3.536 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)cc2)CC1 ZINC000777313620 905973347 /nfs/dbraw/zinc/97/33/47/905973347.db2.gz QDAGZCJPKBWWHB-LJQANCHMSA-N 1 0 395.478 3.507 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176942536 905993360 /nfs/dbraw/zinc/99/33/60/905993360.db2.gz OMQCMDMHYVWQKF-CQSZACIVSA-N 1 0 377.535 3.501 20 30 GHEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976216 906040033 /nfs/dbraw/zinc/04/00/33/906040033.db2.gz MLVNYXNGWOBOFG-OTWHNJEPSA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)C[C@H]1C#N ZINC001172980566 906047239 /nfs/dbraw/zinc/04/72/39/906047239.db2.gz YLKFRVSKRAKWBN-AJNGGQMLSA-N 1 0 375.435 3.989 20 30 GHEDRO CCCOC1CCC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001173100294 906189245 /nfs/dbraw/zinc/18/92/45/906189245.db2.gz DAFQVFGOVFVKIZ-UHFFFAOYSA-N 1 0 384.524 3.882 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000177994573 906262312 /nfs/dbraw/zinc/26/23/12/906262312.db2.gz IOEXWSYJTMOKAQ-FQEVSTJZSA-N 1 0 384.911 3.774 20 30 GHEDRO CCc1ccc(C[C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)cc1 ZINC001173242156 906355456 /nfs/dbraw/zinc/35/54/56/906355456.db2.gz UBTIIMIGZUJXMW-GOSISDBHSA-N 1 0 375.516 3.946 20 30 GHEDRO C=CCOC1CCC(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)CC1 ZINC001173313640 906363844 /nfs/dbraw/zinc/36/38/44/906363844.db2.gz CJTBWWSYIQVGIJ-UHFFFAOYSA-N 1 0 393.535 3.778 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)CC1 ZINC001173321219 906371217 /nfs/dbraw/zinc/37/12/17/906371217.db2.gz JIBDPEHQCNBULA-ACBHZAAOSA-N 1 0 390.499 3.737 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)CC1 ZINC001173324364 906372127 /nfs/dbraw/zinc/37/21/27/906372127.db2.gz NIETUZWNBHONNS-PSGUAHCZSA-N 1 0 384.520 3.638 20 30 GHEDRO COc1cccc(CN2CC[C@]3(CC[N@@H+](C4CCC(CC#N)CC4)C3)C2=O)c1 ZINC001173332826 906375280 /nfs/dbraw/zinc/37/52/80/906375280.db2.gz GYAKWDZBYVSLMQ-KXNZUKPASA-N 1 0 381.520 3.592 20 30 GHEDRO Cc1nc(CN2CCO[C@H]3CC[N@@H+](C4CCC(CC#N)CC4)CC[C@@H]32)cs1 ZINC001173335714 906379360 /nfs/dbraw/zinc/37/93/60/906379360.db2.gz WBOUJUKUAWLGFP-BOWFFMLLSA-N 1 0 388.581 3.589 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001173319931 906388549 /nfs/dbraw/zinc/38/85/49/906388549.db2.gz BFZCEGPTGKIJAB-FQUXPLTJSA-N 1 0 386.536 3.591 20 30 GHEDRO C#CC1CC[NH+]([C@@H]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173392220 906419846 /nfs/dbraw/zinc/41/98/46/906419846.db2.gz OSRDQACGGXWOFJ-QYZOEREBSA-N 1 0 391.552 3.800 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(n3cc(CC[NH3+])c4ccc(F)cc43)CC2)cc1 ZINC001173423062 906457973 /nfs/dbraw/zinc/45/79/73/906457973.db2.gz CYLCYBJRRXVWFO-UHFFFAOYSA-N 1 0 390.462 3.631 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4c3cc(F)cc4F)CC2)cc1 ZINC001173425755 906461270 /nfs/dbraw/zinc/46/12/70/906461270.db2.gz DBJLIFQZYVFPQD-OAQYLSRUSA-N 1 0 381.426 3.718 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC001173425600 906461655 /nfs/dbraw/zinc/46/16/55/906461655.db2.gz ZOXKZHNYJMMXLR-VFNWGFHPSA-N 1 0 397.906 3.528 20 30 GHEDRO Cc1ccccc1OC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426107 906461938 /nfs/dbraw/zinc/46/19/38/906461938.db2.gz OSAZFCNWUXWPMF-GOSISDBHSA-N 1 0 377.488 3.528 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](c3cncc(Cl)c3)C3CC3)CC2)cc1 ZINC001173427748 906463666 /nfs/dbraw/zinc/46/36/66/906463666.db2.gz REOWNOAMIMNUMK-NRFANRHFSA-N 1 0 394.906 3.952 20 30 GHEDRO C=C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1)c1ccccc1 ZINC001173541736 906516951 /nfs/dbraw/zinc/51/69/51/906516951.db2.gz IAQDQUJHQYRMLV-NJNPRVFISA-N 1 0 388.508 3.835 20 30 GHEDRO CC1(C#N)CCC([NH2+]CCNC(=O)c2ncsc2-c2cccc(F)c2)CC1 ZINC001173592989 906546603 /nfs/dbraw/zinc/54/66/03/906546603.db2.gz GBQPMYDCDXBEKL-UHFFFAOYSA-N 1 0 386.496 3.741 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000179634603 906547291 /nfs/dbraw/zinc/54/72/91/906547291.db2.gz YIYUZTOZPUIELY-UONOGXRCSA-N 1 0 385.464 3.772 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)CC1 ZINC001173595427 906549596 /nfs/dbraw/zinc/54/95/96/906549596.db2.gz YLCYFJJEBOVLPM-MALGCSLJSA-N 1 0 383.536 3.942 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C#N)c1C ZINC000179775630 906593292 /nfs/dbraw/zinc/59/32/92/906593292.db2.gz LIZMBJFCASWODP-CYBMUJFWSA-N 1 0 396.516 3.874 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)[NH+]2CCCC2)o1 ZINC000180039135 906673645 /nfs/dbraw/zinc/67/36/45/906673645.db2.gz MGYHBNWXQNPMIL-SJLPKXTDSA-N 1 0 382.464 3.838 20 30 GHEDRO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)C[C@@H](O)COc1cccc2ccccc21 ZINC000191182254 906721670 /nfs/dbraw/zinc/72/16/70/906721670.db2.gz MWJTUWPWTOXVNJ-OAQYLSRUSA-N 1 0 377.488 3.700 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191360690 906913398 /nfs/dbraw/zinc/91/33/98/906913398.db2.gz GGOSHKKPFFCCPY-KNQAVFIVSA-N 1 0 399.498 3.683 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(C#N)c1C ZINC000181442167 907002088 /nfs/dbraw/zinc/00/20/88/907002088.db2.gz FPRQHDHZJGNKHL-GJZGRUSLSA-N 1 0 394.475 3.573 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181884792 907095019 /nfs/dbraw/zinc/09/50/19/907095019.db2.gz VZTXKOZNVUKUJT-IRXDYDNUSA-N 1 0 395.532 3.583 20 30 GHEDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181913918 907099115 /nfs/dbraw/zinc/09/91/15/907099115.db2.gz GDSDHWNSWFCHPW-UZUQRXQVSA-N 1 0 381.495 3.764 20 30 GHEDRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191615132 907112289 /nfs/dbraw/zinc/11/22/89/907112289.db2.gz VUCHHQFYULYOBB-GOSISDBHSA-N 1 0 390.325 3.787 20 30 GHEDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc(C#N)c2)NC(=O)OC(C)(C)C)cc1 ZINC000773410216 907242425 /nfs/dbraw/zinc/24/24/25/907242425.db2.gz UIGFJPCCGCXESY-OAQYLSRUSA-N 1 0 394.519 3.980 20 30 GHEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182916288 907289729 /nfs/dbraw/zinc/28/97/29/907289729.db2.gz LBWXCWAQGRMVAL-FXAWDEMLSA-N 1 0 380.536 3.885 20 30 GHEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182916323 907289976 /nfs/dbraw/zinc/28/99/76/907289976.db2.gz LBWXCWAQGRMVAL-PXNSSMCTSA-N 1 0 380.536 3.885 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001175522359 907599248 /nfs/dbraw/zinc/59/92/48/907599248.db2.gz GARNUFPMEQMMPZ-FQEVSTJZSA-N 1 0 399.441 3.830 20 30 GHEDRO O=c1[nH]c2ccccc2cc1C=NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192398448 907628301 /nfs/dbraw/zinc/62/83/01/907628301.db2.gz XXOZKTVAXQEJLP-GQBLCDNYSA-N 1 0 375.472 3.650 20 30 GHEDRO COc1ccccc1C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000185878056 907847276 /nfs/dbraw/zinc/84/72/76/907847276.db2.gz JABKWJJWOWCWHK-IBGZPJMESA-N 1 0 376.460 3.974 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000186962469 908012640 /nfs/dbraw/zinc/01/26/40/908012640.db2.gz MDXPNZBHMGUDES-RCCFBDPRSA-O 1 0 398.552 3.858 20 30 GHEDRO C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188671724 908238052 /nfs/dbraw/zinc/23/80/52/908238052.db2.gz XLYITJSWWJVTHF-IAGOWNOFSA-N 1 0 385.512 3.539 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000188691463 908238990 /nfs/dbraw/zinc/23/89/90/908238990.db2.gz VAGCPFRAMGFIOM-INIZCTEOSA-N 1 0 399.520 3.784 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190611966 908506943 /nfs/dbraw/zinc/50/69/43/908506943.db2.gz PCZGBIOZBGUOIL-RDTXWAMCSA-N 1 0 382.533 3.898 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001177506220 908607177 /nfs/dbraw/zinc/60/71/77/908607177.db2.gz IHBDNMATTAMTJN-UHFFFAOYSA-N 1 0 383.499 3.718 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193809857 908728177 /nfs/dbraw/zinc/72/81/77/908728177.db2.gz AMMDHRRBXSBGPS-QFIPXVFZSA-N 1 0 391.515 3.746 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@H](C#N)Cc2cccs2)CC1 ZINC001177912780 908799924 /nfs/dbraw/zinc/79/99/24/908799924.db2.gz UBTVNRPWZUZGBV-KRWDZBQOSA-N 1 0 385.508 3.692 20 30 GHEDRO Cc1ccnc(C2(C(=O)N(Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)CC2)c1 ZINC001178074505 908892260 /nfs/dbraw/zinc/89/22/60/908892260.db2.gz LTTPQGKJVLSWBX-MEMLXQNLSA-N 1 0 388.515 3.592 20 30 GHEDRO CC(C)(C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)c1ncccc1F ZINC001178088037 908898391 /nfs/dbraw/zinc/89/83/91/908898391.db2.gz ZPTJAPJWLTUTRS-WGSAOQKQSA-N 1 0 394.494 3.669 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(C)cc3Br)CC2)C1=O ZINC001276024229 921457818 /nfs/dbraw/zinc/45/78/18/921457818.db2.gz ASMIDBMIPXCKPM-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cnc(-c3ccncc3)s2)c(-c2ccc(C#N)cc2)n1 ZINC001178463468 909065295 /nfs/dbraw/zinc/06/52/95/909065295.db2.gz RCJGBEWVRQVFCC-UHFFFAOYSA-N 1 0 386.484 3.767 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc4ccc(F)c(F)c4n3)C2=O)cc1 ZINC001178469814 909068149 /nfs/dbraw/zinc/06/81/49/909068149.db2.gz XFTGBAQCADZYQD-LJQANCHMSA-N 1 0 392.409 3.670 20 30 GHEDRO [NH3+]C1CCC(N(C(=O)C#Cc2ccc(F)cc2F)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001178573264 909129023 /nfs/dbraw/zinc/12/90/23/909129023.db2.gz DGKZSPAHCBMWNS-OXYJHPMESA-N 1 0 394.465 3.971 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N=C(N)c1ccc2cc(O)ccc2c1 ZINC001178731786 909209142 /nfs/dbraw/zinc/20/91/42/909209142.db2.gz CYWNULWLNVPMDZ-OPAMFIHVSA-N 1 0 387.483 3.545 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001178921719 909318238 /nfs/dbraw/zinc/31/82/38/909318238.db2.gz FWVLOSUNGPVENQ-DFQSSKMNSA-N 1 0 398.551 3.749 20 30 GHEDRO C=CCCSCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001179101689 909371148 /nfs/dbraw/zinc/37/11/48/909371148.db2.gz YTLYJPYSDDUHFI-UHFFFAOYSA-N 1 0 392.262 3.598 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)C1 ZINC001179502577 909572555 /nfs/dbraw/zinc/57/25/55/909572555.db2.gz TVENOQGJPGRMJP-SAZUREKKSA-N 1 0 394.309 3.671 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@](O)(/C=C/OCC)C(F)(F)F)cc1Cl ZINC001179636941 909637995 /nfs/dbraw/zinc/63/79/95/909637995.db2.gz ONGCCWRMTDOMCT-DYLHUKMJSA-N 1 0 379.806 3.838 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000245678156 909820697 /nfs/dbraw/zinc/82/06/97/909820697.db2.gz LSABRJIRFIOCSU-FGZHOGPDSA-N 1 0 384.474 3.850 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245808394 909936393 /nfs/dbraw/zinc/93/63/93/909936393.db2.gz ZAGKVKPCHDYRHC-NVXWUHKLSA-N 1 0 397.441 3.600 20 30 GHEDRO C=CCSCC(=O)Nc1cc(C)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001180555264 910236105 /nfs/dbraw/zinc/23/61/05/910236105.db2.gz QFTADHIETKTLRF-UHFFFAOYSA-N 1 0 398.576 3.961 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)CC34CCC[NH+]3CCC4)CC2)cc1Cl ZINC001181108879 910539607 /nfs/dbraw/zinc/53/96/07/910539607.db2.gz KLWCIOGXUNEISL-UHFFFAOYSA-N 1 0 387.911 3.600 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000271676726 911010715 /nfs/dbraw/zinc/01/07/15/911010715.db2.gz OEFIQBUUSSQPCS-AEFFLSMTSA-N 1 0 383.517 3.733 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC001182062337 911163738 /nfs/dbraw/zinc/16/37/38/911163738.db2.gz MGWVOGQBXUBBOO-QFIPXVFZSA-N 1 0 383.875 3.669 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1)CC(C)C ZINC000773982709 911201669 /nfs/dbraw/zinc/20/16/69/911201669.db2.gz ZZTVULLMAHFKHC-UHFFFAOYSA-N 1 0 385.552 3.738 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000801954116 921679199 /nfs/dbraw/zinc/67/91/99/921679199.db2.gz ABKVMRFZZRTHAQ-LJQANCHMSA-N 1 0 398.551 3.976 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000366718555 921706233 /nfs/dbraw/zinc/70/62/33/921706233.db2.gz LKWUZADRYMMHOT-HNNXBMFYSA-N 1 0 386.471 3.506 20 30 GHEDRO CC#CCCCCCCCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001182768660 912037775 /nfs/dbraw/zinc/03/77/75/912037775.db2.gz HTKXXQYKLFRLPU-XZOQPEGZSA-N 1 0 397.563 3.637 20 30 GHEDRO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000093078616 912047980 /nfs/dbraw/zinc/04/79/80/912047980.db2.gz WCIMGDUQTANTDL-RTBURBONSA-N 1 0 379.504 3.865 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000291070413 914954695 /nfs/dbraw/zinc/95/46/95/914954695.db2.gz AZWOTBQDQMEXIW-OAQYLSRUSA-N 1 0 392.522 3.778 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000303776719 915122361 /nfs/dbraw/zinc/12/23/61/915122361.db2.gz IAUAYVXIWREVQY-LLVKDONJSA-N 1 0 378.398 3.983 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCCN1CCCCCC1=O)c1ccc(Cl)cc1Cl ZINC000303787032 915127265 /nfs/dbraw/zinc/12/72/65/915127265.db2.gz SADXOEUJZIWNRS-ZDUSSCGKSA-N 1 0 385.339 3.751 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCCc2cc(Cl)cc(Cl)c2)cc1OC ZINC000303878772 915236969 /nfs/dbraw/zinc/23/69/69/915236969.db2.gz JHQJOHGLUDJEMP-UHFFFAOYSA-N 1 0 382.291 3.658 20 30 GHEDRO [NH2+]=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000303879914 915238264 /nfs/dbraw/zinc/23/82/64/915238264.db2.gz GUPAYGGZRRWNNJ-OAQYLSRUSA-N 1 0 398.938 3.629 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000303878819 915238338 /nfs/dbraw/zinc/23/83/38/915238338.db2.gz JJAWBQRWPDPZTR-UHFFFAOYSA-N 1 0 390.871 3.503 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(F)c(C(=O)N4CCCC4)c3)sc2C1 ZINC001187457342 915265392 /nfs/dbraw/zinc/26/53/92/915265392.db2.gz NZOKIAUNGWTHRZ-UHFFFAOYSA-N 1 0 384.480 3.726 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000303888622 915288538 /nfs/dbraw/zinc/28/85/38/915288538.db2.gz RSFRMRSJLLICAZ-UHFFFAOYSA-N 1 0 399.922 3.807 20 30 GHEDRO [NH2+]=C(NCc1ccc(OCC2CC2)nc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303881732 915294413 /nfs/dbraw/zinc/29/44/13/915294413.db2.gz LCWXHCPGDVGAGV-UHFFFAOYSA-N 1 0 380.370 3.696 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000303880996 915294676 /nfs/dbraw/zinc/29/46/76/915294676.db2.gz KMAIBCFNVPZOLE-QGZVFWFLSA-N 1 0 395.425 3.995 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(Cn3cccn3)c2)c1 ZINC000303891465 915299607 /nfs/dbraw/zinc/29/96/07/915299607.db2.gz QRODOKMPUQLKLF-UHFFFAOYSA-N 1 0 393.491 3.656 20 30 GHEDRO [NH2+]=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000303982570 915348388 /nfs/dbraw/zinc/34/83/88/915348388.db2.gz QIOSHALJVSKVMN-OAQYLSRUSA-N 1 0 398.938 3.629 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1OCC ZINC000415135042 915442802 /nfs/dbraw/zinc/44/28/02/915442802.db2.gz JEBSVFCPOJRXLQ-IBGZPJMESA-N 1 0 395.341 3.741 20 30 GHEDRO [NH2+]=C(NCc1cccc(OCc2ccccn2)c1)N[C@H]1CCOc2ccccc21 ZINC000304471518 915516679 /nfs/dbraw/zinc/51/66/79/915516679.db2.gz DYHAPKDDGAVGKT-NRFANRHFSA-N 1 0 388.471 3.589 20 30 GHEDRO CC(C)c1nc(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cs1 ZINC000304487233 915525127 /nfs/dbraw/zinc/52/51/27/915525127.db2.gz KKGIGVHJXDEKMJ-UHFFFAOYSA-N 1 0 386.443 3.812 20 30 GHEDRO [NH2+]=C(NCCOc1cccc(C(F)(F)F)c1)N[C@H]1CCOc2ccccc21 ZINC000304506926 915526922 /nfs/dbraw/zinc/52/69/22/915526922.db2.gz RJDZLYTXLXNUFC-INIZCTEOSA-N 1 0 379.382 3.512 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cc(F)c(C)cc2F)C(=S)NC2CCC2)c1 ZINC000292274042 915595551 /nfs/dbraw/zinc/59/55/51/915595551.db2.gz HFKJDERZVGOJKI-UHFFFAOYSA-O 1 0 375.464 3.950 20 30 GHEDRO CC(C)C[C@@H](C)Oc1cc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)ccn1 ZINC000304753041 915670772 /nfs/dbraw/zinc/67/07/72/915670772.db2.gz KTEILLHTEJNBKA-MRXNPFEDSA-N 1 0 398.507 3.983 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001188013195 915705495 /nfs/dbraw/zinc/70/54/95/915705495.db2.gz PNOOYSLZVREPPJ-UHFFFAOYSA-N 1 0 397.585 3.549 20 30 GHEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)c1C ZINC001188086310 915745189 /nfs/dbraw/zinc/74/51/89/915745189.db2.gz SSOIXUNRSDXWHF-UHFFFAOYSA-N 1 0 377.488 3.600 20 30 GHEDRO COC(=O)c1cccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304985647 915817545 /nfs/dbraw/zinc/81/75/45/915817545.db2.gz IBDSTSSOUOLQBU-NSHDSACASA-N 1 0 380.275 3.946 20 30 GHEDRO COc1cc2c(cc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)O[C@@H](C)C2 ZINC000305173148 915977736 /nfs/dbraw/zinc/97/77/36/915977736.db2.gz FPDYGSCNVKIBIY-NSHDSACASA-N 1 0 395.381 3.844 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3[nH]c(CCCC)nc3Cl)CC2)C1=O ZINC001275708558 916243397 /nfs/dbraw/zinc/24/33/97/916243397.db2.gz ATUNMTGXHXPJTL-HXUWFJFHSA-N 1 0 378.948 3.796 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000775246360 916625638 /nfs/dbraw/zinc/62/56/38/916625638.db2.gz SQCIUWQWRVXJRB-UTKZUKDTSA-N 1 0 382.460 3.505 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000775336155 917001926 /nfs/dbraw/zinc/00/19/26/917001926.db2.gz ZKYVYYKODITFOX-MRXNPFEDSA-N 1 0 390.487 3.520 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000775337591 917035724 /nfs/dbraw/zinc/03/57/24/917035724.db2.gz JZXIIPZRZXAPMP-ACJLOTCBSA-N 1 0 380.366 3.872 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)ccc1OC ZINC000775348846 917109443 /nfs/dbraw/zinc/10/94/43/917109443.db2.gz YUOIZVMEKCCZCD-FUHWJXTLSA-N 1 0 376.497 3.607 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(Br)c(F)c3)C2)C1=O ZINC001275782443 917230802 /nfs/dbraw/zinc/23/08/02/917230802.db2.gz VRNQRCMFWBWOMY-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000775401704 917461266 /nfs/dbraw/zinc/46/12/66/917461266.db2.gz YLWZNDQNDAGKGW-YADHBBJMSA-N 1 0 392.499 3.722 20 30 GHEDRO C=CCC1(S(=O)(=O)NCC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC001190824887 917584425 /nfs/dbraw/zinc/58/44/25/917584425.db2.gz VOHSGJLDAZUEBQ-UHFFFAOYSA-N 1 0 396.556 3.736 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000796471852 917593027 /nfs/dbraw/zinc/59/30/27/917593027.db2.gz UMNPXOPFKKKANN-HXUWFJFHSA-N 1 0 388.305 3.849 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295970972 917679321 /nfs/dbraw/zinc/67/93/21/917679321.db2.gz NVBMGMGXSAEQIW-HMXCVIKNSA-N 1 0 395.551 3.805 20 30 GHEDRO C#Cc1ccccc1C(=O)N(c1cc(OC)cc2cccnc21)[C@@H](C)CCC[NH3+] ZINC001191116452 917765189 /nfs/dbraw/zinc/76/51/89/917765189.db2.gz HIETZBAAIZRJPO-KRWDZBQOSA-N 1 0 387.483 3.999 20 30 GHEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001191321237 917932067 /nfs/dbraw/zinc/93/20/67/917932067.db2.gz YHCKEEJHESMZSE-HRAATJIYSA-N 1 0 376.431 3.508 20 30 GHEDRO N#Cc1cc(C(=O)N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001191547302 918066252 /nfs/dbraw/zinc/06/62/52/918066252.db2.gz IHOHKAKEKPYXAR-XMMPIXPASA-N 1 0 396.494 3.870 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cn(-c3ccccc3)cn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001191602475 918092728 /nfs/dbraw/zinc/09/27/28/918092728.db2.gz FDSMVZDWRCSDHF-AQYVVDRMSA-N 1 0 399.498 3.656 20 30 GHEDRO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCCOc2ccc(C#N)cc2)n1 ZINC000363794246 918871440 /nfs/dbraw/zinc/87/14/40/918871440.db2.gz KFLNTIKNEGZCTP-OAHLLOKOSA-N 1 0 378.432 3.737 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)cc1 ZINC000115374925 919450746 /nfs/dbraw/zinc/45/07/46/919450746.db2.gz NHVWFSUOVBOSCZ-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(COc3ccccc3C#N)o2)([NH+](C)C)C1 ZINC000115672443 919465248 /nfs/dbraw/zinc/46/52/48/919465248.db2.gz CLUNLBADDZVGTL-UZUQRXQVSA-N 1 0 395.503 3.971 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cc(Br)ccc1F ZINC000116121047 919498021 /nfs/dbraw/zinc/49/80/21/919498021.db2.gz OVTZVJFWGRNZJT-UHFFFAOYSA-N 1 0 396.285 3.982 20 30 GHEDRO COC(=O)CN(Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C(C)C ZINC000116877824 919522639 /nfs/dbraw/zinc/52/26/39/919522639.db2.gz LREUPFMWDOSRSD-UHFFFAOYSA-N 1 0 382.460 3.529 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]c4cccc(F)c43)CC2)cc1 ZINC000119703355 919648429 /nfs/dbraw/zinc/64/84/29/919648429.db2.gz IDWCWACTHUBZQD-UHFFFAOYSA-N 1 0 376.435 3.527 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3ccncc3)C1)CCC2 ZINC000298641461 920752998 /nfs/dbraw/zinc/75/29/98/920752998.db2.gz WRSFIOLTIIIQLQ-INIZCTEOSA-N 1 0 380.517 3.712 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365510584 920885730 /nfs/dbraw/zinc/88/57/30/920885730.db2.gz KNKFGOXNUVWLHH-OAHLLOKOSA-N 1 0 398.536 3.610 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(C#N)c(F)c1 ZINC001275991278 920937884 /nfs/dbraw/zinc/93/78/84/920937884.db2.gz HNYGZKVJEFSHAJ-QGZVFWFLSA-N 1 0 395.478 3.881 20 30 GHEDRO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@H]1C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298800236 920941085 /nfs/dbraw/zinc/94/10/85/920941085.db2.gz NOVQEUXHDOGYDO-HKUYNNGSSA-N 1 0 378.476 3.556 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3nccn3CCc3ccccc3)CC2)cc1 ZINC000367638334 922245361 /nfs/dbraw/zinc/24/53/61/922245361.db2.gz OQYFNAWKLVVCDE-UHFFFAOYSA-N 1 0 385.515 3.756 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000367903944 922370650 /nfs/dbraw/zinc/37/06/50/922370650.db2.gz OGOKDEAEOQEGOZ-RCCFBDPRSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCc1cc(C[NH+]2CCN(c3ccc(F)c(OC)c3)CC2)c(O)c(OC)c1 ZINC000802744046 922375697 /nfs/dbraw/zinc/37/56/97/922375697.db2.gz SUPMVSUAEIEMDU-UHFFFAOYSA-N 1 0 386.467 3.599 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3cc(C#N)ccn3)CC2)c1 ZINC000902736949 922448781 /nfs/dbraw/zinc/44/87/81/922448781.db2.gz YRFSXUWTHAVFSO-HXUWFJFHSA-N 1 0 377.536 3.515 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1 ZINC000803318245 922881449 /nfs/dbraw/zinc/88/14/49/922881449.db2.gz RKFYGOYHVKDIIU-SDQBBNPISA-N 1 0 390.487 3.725 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000803856989 923322077 /nfs/dbraw/zinc/32/20/77/923322077.db2.gz VVVYRRPFBXIMCV-WOJBJXKFSA-N 1 0 399.535 3.746 20 30 GHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)n1C(C)C ZINC000371528010 924635574 /nfs/dbraw/zinc/63/55/74/924635574.db2.gz JXIYGPAHDBBASB-UHFFFAOYSA-N 1 0 378.520 3.974 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC[NH+]1CCCC1 ZINC000409458947 924657065 /nfs/dbraw/zinc/65/70/65/924657065.db2.gz YHTHGKDCLKTRRI-UHFFFAOYSA-N 1 0 398.320 3.772 20 30 GHEDRO C[C@]1(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000828689026 924807268 /nfs/dbraw/zinc/80/72/68/924807268.db2.gz ZCUMTPALYRYQFW-KRWDZBQOSA-N 1 0 380.319 3.635 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000409695051 924885868 /nfs/dbraw/zinc/88/58/68/924885868.db2.gz OYSWUNORTOWRGJ-GOSISDBHSA-N 1 0 399.498 3.699 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC#Cc1ccccc1 ZINC000410335095 925540840 /nfs/dbraw/zinc/54/08/40/925540840.db2.gz KRFCBMMVFQHYPY-FQEVSTJZSA-N 1 0 375.516 3.912 20 30 GHEDRO C=CCN1CC[C@H]([N@H+](C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)C1=O ZINC000410369171 925588492 /nfs/dbraw/zinc/58/84/92/925588492.db2.gz AIYGDLGOCYROTK-NRFANRHFSA-N 1 0 384.499 3.647 20 30 GHEDRO CC[N@H+](CCCON1C(=O)c2ccccc2C1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000827484413 925636194 /nfs/dbraw/zinc/63/61/94/925636194.db2.gz WWFOZGNHCBOJKG-INIZCTEOSA-N 1 0 377.444 3.559 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1)C1CCOCC1 ZINC000827575280 925823800 /nfs/dbraw/zinc/82/38/00/925823800.db2.gz ONCBWDJKFWDRRH-OAQYLSRUSA-N 1 0 383.463 3.931 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C[C@@H]3CCOC3)C3CC3)sc2C1 ZINC000411160556 926149458 /nfs/dbraw/zinc/14/94/58/926149458.db2.gz AIVUXCMVPFFKFH-CABCVRRESA-N 1 0 387.549 3.574 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373509656 926207808 /nfs/dbraw/zinc/20/78/08/926207808.db2.gz PTZHAIZELBXBHE-UHFFFAOYSA-N 1 0 395.425 3.625 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000373649371 926312825 /nfs/dbraw/zinc/31/28/25/926312825.db2.gz ULZKVLBVFXFPHR-OXQOHEQNSA-N 1 0 375.538 3.910 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000411451843 926412846 /nfs/dbraw/zinc/41/28/46/926412846.db2.gz AIGYYMHHSLIJGU-LAUBAEHRSA-N 1 0 383.879 3.908 20 30 GHEDRO C=CCN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)C(C)C ZINC000726280218 926618037 /nfs/dbraw/zinc/61/80/37/926618037.db2.gz VAQBDLYRBVUZJU-KRWDZBQOSA-N 1 0 376.520 3.635 20 30 GHEDRO N#Cc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000726455837 926676050 /nfs/dbraw/zinc/67/60/50/926676050.db2.gz CDIXAUOAHNBZGZ-UHFFFAOYSA-N 1 0 384.936 3.946 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000411735715 926707358 /nfs/dbraw/zinc/70/73/58/926707358.db2.gz CSYLVMPOINHHFU-GOSISDBHSA-N 1 0 392.286 3.907 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1OCCc2sccc21 ZINC000411762644 926739868 /nfs/dbraw/zinc/73/98/68/926739868.db2.gz XKOQXAJAZBTKDZ-HXPMCKFVSA-N 1 0 389.908 3.894 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCc1csc(CC)n1 ZINC000726607074 926761346 /nfs/dbraw/zinc/76/13/46/926761346.db2.gz WGACGODNAHGFQP-UHFFFAOYSA-N 1 0 379.323 3.812 20 30 GHEDRO CCC(CC)[C@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)[NH+]1CCCC1 ZINC000374345178 927037791 /nfs/dbraw/zinc/03/77/91/927037791.db2.gz BGUVNMPLMXTIGK-FQEVSTJZSA-N 1 0 397.567 3.549 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ncc(C(F)(F)F)cc3Cl)C2)C1=O ZINC001276198480 927151802 /nfs/dbraw/zinc/15/18/02/927151802.db2.gz KQDRGATZWSEZTM-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000749586118 927203943 /nfs/dbraw/zinc/20/39/43/927203943.db2.gz AEUCUVHYQQYZHE-GHTZIAJQSA-N 1 0 387.568 3.751 20 30 GHEDRO N#CC1(NC(=O)Cc2ccccc2OC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000374880656 927646924 /nfs/dbraw/zinc/64/69/24/927646924.db2.gz LZURMJMFTPLOLK-UHFFFAOYSA-N 1 0 399.441 3.505 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@H](O)c3cccs3)o2)c1 ZINC000750834725 927882749 /nfs/dbraw/zinc/88/27/49/927882749.db2.gz BVPUFFJSELTVQE-IRXDYDNUSA-N 1 0 380.473 3.758 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000751005293 927977344 /nfs/dbraw/zinc/97/73/44/927977344.db2.gz QXWVHHLDWSKBSD-GHTZIAJQSA-N 1 0 377.488 3.873 20 30 GHEDRO Fc1cc2nc(N=NCC3(C[NH+]4CCOCC4)CCCCC3)[nH]c2cc1F ZINC000751130158 928042347 /nfs/dbraw/zinc/04/23/47/928042347.db2.gz FFODWQBANFTQAY-UHFFFAOYSA-N 1 0 377.439 3.522 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000751143498 928047277 /nfs/dbraw/zinc/04/72/77/928047277.db2.gz XLJKTYZGBBFDQJ-UHFFFAOYSA-N 1 0 389.455 3.643 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3occc3Br)CC2)C1=O ZINC001276248741 928338876 /nfs/dbraw/zinc/33/88/76/928338876.db2.gz MTGKHTUFDCQIGF-GOSISDBHSA-N 1 0 381.314 3.823 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC000751892651 928457164 /nfs/dbraw/zinc/45/71/64/928457164.db2.gz HRVUREVVCQOKBO-FQEVSTJZSA-N 1 0 392.503 3.604 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1 ZINC000752129609 928629605 /nfs/dbraw/zinc/62/96/05/928629605.db2.gz NDSYWRBVDQIYEZ-FTJBHMTQSA-N 1 0 398.506 3.928 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000752301114 928740013 /nfs/dbraw/zinc/74/00/13/928740013.db2.gz SVJMTDQQJFLVET-CABCVRRESA-N 1 0 387.484 3.511 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000752301309 928741269 /nfs/dbraw/zinc/74/12/69/928741269.db2.gz UPKNWHNAOYILFG-KRWDZBQOSA-N 1 0 389.500 3.615 20 30 GHEDRO CC[C@@H](CO)[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1 ZINC000467178637 928793615 /nfs/dbraw/zinc/79/36/15/928793615.db2.gz BKRFXXQSFBUYBY-QFIPXVFZSA-N 1 0 393.531 3.823 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000752438024 928823642 /nfs/dbraw/zinc/82/36/42/928823642.db2.gz HBLVRYSKJJTAGY-UHFFFAOYSA-N 1 0 391.393 3.578 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCc1cccc(Br)c1 ZINC001276272486 929054719 /nfs/dbraw/zinc/05/47/19/929054719.db2.gz CIWJHTNIHDCWTF-QZTJIDSGSA-N 1 0 377.326 3.633 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1OCC ZINC000544365354 929094414 /nfs/dbraw/zinc/09/44/14/929094414.db2.gz HSUFQHBVGONCRK-ZOBUZTSGSA-N 1 0 396.325 3.615 20 30 GHEDRO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](CCCc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001276276426 929198351 /nfs/dbraw/zinc/19/83/51/929198351.db2.gz NVXMWZZJGANODO-HXUWFJFHSA-N 1 0 395.330 3.953 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000467592928 929225322 /nfs/dbraw/zinc/22/53/22/929225322.db2.gz ZEWNWIXNHSHNBS-UHFFFAOYSA-N 1 0 386.540 3.842 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000467711434 929326911 /nfs/dbraw/zinc/32/69/11/929326911.db2.gz BUHGMGAXWGKIRX-MGPUTAFESA-N 1 0 377.513 3.922 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000467721656 929338707 /nfs/dbraw/zinc/33/87/07/929338707.db2.gz UYEYROLMQHMGEA-ZHRRBRCNSA-N 1 0 375.472 3.757 20 30 GHEDRO C[C@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C[N@@H+]1C1CC1 ZINC000753959273 929611959 /nfs/dbraw/zinc/61/19/59/929611959.db2.gz HDWGUGWDGXGPBI-NSHDSACASA-N 1 0 376.386 3.582 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1(C#N)CCC1 ZINC000469288234 929764249 /nfs/dbraw/zinc/76/42/49/929764249.db2.gz HRQWBSYKUHDJEC-IAGOWNOFSA-N 1 0 390.487 3.540 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000546013806 929772533 /nfs/dbraw/zinc/77/25/33/929772533.db2.gz YYIHKSDYENOIPD-SFHVURJKSA-N 1 0 375.394 3.539 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](C)C(C)(C)C2)c1=S ZINC000758990737 930239861 /nfs/dbraw/zinc/23/98/61/930239861.db2.gz JZQWYCPGZAUHRV-GOSISDBHSA-N 1 0 391.629 3.954 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(CC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000759055885 930259480 /nfs/dbraw/zinc/25/94/80/930259480.db2.gz ZFIWKPICOCBKEE-UHFFFAOYSA-O 1 0 377.533 3.849 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC000470033989 930332979 /nfs/dbraw/zinc/33/29/79/930332979.db2.gz ZGQPABCKWAOXEH-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000546707546 930370761 /nfs/dbraw/zinc/37/07/61/930370761.db2.gz IQSQAMJHFPJQIA-VQIMIIECSA-N 1 0 378.476 3.599 20 30 GHEDRO CCCCC[N@H+](CCCOC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000780378117 930501685 /nfs/dbraw/zinc/50/16/85/930501685.db2.gz STIJMNYTTGZCJU-SFHVURJKSA-N 1 0 380.492 3.752 20 30 GHEDRO C#CCCCCCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000780533055 930543080 /nfs/dbraw/zinc/54/30/80/930543080.db2.gz LWTTWZGWCQBKFW-UHFFFAOYSA-N 1 0 376.928 3.883 20 30 GHEDRO COc1ccccc1-c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000546965582 930570634 /nfs/dbraw/zinc/57/06/34/930570634.db2.gz MAFZTBBRXQOLDH-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000780981759 930660343 /nfs/dbraw/zinc/66/03/43/930660343.db2.gz NFRTUVZCMREFRW-FQEVSTJZSA-N 1 0 377.504 3.878 20 30 GHEDRO S=C(NN=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Nc1cccnc1 ZINC000781117685 930705691 /nfs/dbraw/zinc/70/56/91/930705691.db2.gz SFSCSPAOBABUAE-PKOBYXMFSA-N 1 0 379.533 3.656 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2nc3cc(Cl)ccc3s2)cc1 ZINC000557408262 931409275 /nfs/dbraw/zinc/40/92/75/931409275.db2.gz MSLZONQJPMOPAN-OAHLLOKOSA-N 1 0 387.892 3.545 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000783091099 931409425 /nfs/dbraw/zinc/40/94/25/931409425.db2.gz DVXXNZHULVAVDO-KKSFZXQISA-N 1 0 381.463 3.949 20 30 GHEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000557586032 931559280 /nfs/dbraw/zinc/55/92/80/931559280.db2.gz XZWPFJRWZIGNBW-ABLWEVDZSA-N 1 0 386.496 3.873 20 30 GHEDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000557655174 931594824 /nfs/dbraw/zinc/59/48/24/931594824.db2.gz ZMNQPNBBXFWWQU-BLLLJJGKSA-N 1 0 378.307 3.714 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cccc(C(F)(F)F)c1)[n+]1ccc(CC)cc1 ZINC000783695649 931621197 /nfs/dbraw/zinc/62/11/97/931621197.db2.gz QPUKAMLBGQOPFK-UHFFFAOYSA-O 1 0 391.438 3.989 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000557795714 931692844 /nfs/dbraw/zinc/69/28/44/931692844.db2.gz AIPMFNIOIDPLMZ-IBGZPJMESA-N 1 0 385.552 3.533 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)CCOCC1 ZINC000796681972 932029080 /nfs/dbraw/zinc/02/90/80/932029080.db2.gz FPBSXVCWNVTRCT-LJQANCHMSA-N 1 0 377.529 3.610 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000796816714 932078262 /nfs/dbraw/zinc/07/82/62/932078262.db2.gz CRWRXIXSRXRFOY-IFMALSPDSA-N 1 0 385.458 3.907 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000926228055 932090431 /nfs/dbraw/zinc/09/04/31/932090431.db2.gz KXVJKXIWCLVCTJ-MSOLQXFVSA-N 1 0 391.556 3.712 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000926228058 932090481 /nfs/dbraw/zinc/09/04/81/932090481.db2.gz KXVJKXIWCLVCTJ-ROUUACIJSA-N 1 0 391.556 3.712 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000558606599 932104814 /nfs/dbraw/zinc/10/48/14/932104814.db2.gz GBWPXZOFNBPKCX-SFHVURJKSA-N 1 0 386.521 3.511 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926344454 932140333 /nfs/dbraw/zinc/14/03/33/932140333.db2.gz WRKQDWNFJMDALN-FHWLQOOXSA-N 1 0 391.556 3.877 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c(O)c(OC)c1 ZINC000797420595 932277397 /nfs/dbraw/zinc/27/73/97/932277397.db2.gz UBIFXJHPRIKQEN-SFHVURJKSA-N 1 0 380.488 3.614 20 30 GHEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000558983502 932354478 /nfs/dbraw/zinc/35/44/78/932354478.db2.gz XJXRQEMUFVCXNI-UHFFFAOYSA-N 1 0 392.551 3.980 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(CO)CCC1 ZINC000559443719 932679934 /nfs/dbraw/zinc/67/99/34/932679934.db2.gz RRRQSSMCNCKKOK-IBGZPJMESA-N 1 0 389.565 3.604 20 30 GHEDRO C[C@]1(CNC(=O)c2cc3ccccc3n2CC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000798526397 932691347 /nfs/dbraw/zinc/69/13/47/932691347.db2.gz QIEVXZSQLPEUCM-XMMPIXPASA-N 1 0 386.499 3.807 20 30 GHEDRO Cc1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000799031964 932857556 /nfs/dbraw/zinc/85/75/56/932857556.db2.gz CJWDMJBWCPBKIX-UHFFFAOYSA-N 1 0 390.531 3.914 20 30 GHEDRO CC(C)[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000799167580 932896305 /nfs/dbraw/zinc/89/63/05/932896305.db2.gz ZEXKMQYSSPKCSZ-GOSISDBHSA-N 1 0 379.545 3.664 20 30 GHEDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C[C@@H](C)O2 ZINC000560051163 933036433 /nfs/dbraw/zinc/03/64/33/933036433.db2.gz UMEIRVDOSHCFOE-IECBHUPTSA-N 1 0 392.499 3.906 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000560055480 933039836 /nfs/dbraw/zinc/03/98/36/933039836.db2.gz LIORVXUHAQBYMO-HXUWFJFHSA-N 1 0 381.442 3.585 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001116044972 933303621 /nfs/dbraw/zinc/30/36/21/933303621.db2.gz PHLJDXFFEQFFEQ-RBUKOAKNSA-N 1 0 379.464 3.740 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001116053663 933308821 /nfs/dbraw/zinc/30/88/21/933308821.db2.gz XVUZZTGZOWUCLP-KRWDZBQOSA-N 1 0 394.544 3.942 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1 ZINC001116150654 933364297 /nfs/dbraw/zinc/36/42/97/933364297.db2.gz VKSIMVLDVNQVQC-IEBWSBKVSA-N 1 0 375.538 3.548 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)C2(C#N)CCSCC2)c2cccs2)CC1 ZINC000929354265 933366989 /nfs/dbraw/zinc/36/69/89/933366989.db2.gz IIPSOKJKQZPYLX-MRXNPFEDSA-N 1 0 377.579 3.674 20 30 GHEDRO CCOc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC001116327895 933484202 /nfs/dbraw/zinc/48/42/02/933484202.db2.gz MOTQEIZSYWLAHG-UHFFFAOYSA-N 1 0 395.528 3.894 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)cn2)c1 ZINC000929709078 933586406 /nfs/dbraw/zinc/58/64/06/933586406.db2.gz IWKJFIAXADCDHD-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNc3cccc(CC#N)n3)cc2)C[C@@H]1C ZINC001116636782 933676687 /nfs/dbraw/zinc/67/66/87/933676687.db2.gz XXQZCSFWMYZBIO-OALUTQOASA-N 1 0 378.520 3.769 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000930204638 933890244 /nfs/dbraw/zinc/89/02/44/933890244.db2.gz SJLTYGKIZHEIAL-MRXNPFEDSA-N 1 0 375.472 3.696 20 30 GHEDRO CC[NH+](CC)CC1CCN(c2c(C#N)cnc3c(OC)cc(OC)cc32)CC1 ZINC000561138400 933907816 /nfs/dbraw/zinc/90/78/16/933907816.db2.gz WVRYIXXLYZFRQG-UHFFFAOYSA-N 1 0 382.508 3.682 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000561542427 934256654 /nfs/dbraw/zinc/25/66/54/934256654.db2.gz JFAALFVPKOMFFP-KSEOMHKRSA-N 1 0 385.552 3.677 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC001120469513 934467471 /nfs/dbraw/zinc/46/74/71/934467471.db2.gz ZNPNVSXCTIUAOO-SJLPKXTDSA-N 1 0 378.476 3.579 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C3(C#N)CCSCC3)ccc21 ZINC000931267014 934472678 /nfs/dbraw/zinc/47/26/78/934472678.db2.gz DZCKVUNXQLGAOC-UHFFFAOYSA-N 1 0 384.549 3.959 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c(F)c1 ZINC001120783585 934512840 /nfs/dbraw/zinc/51/28/40/934512840.db2.gz DJOVAOPRSSJQJT-UHFFFAOYSA-N 1 0 377.463 3.925 20 30 GHEDRO N#Cc1ccc(NC2CC[NH+](C3CCOCC3)CC2)c(F)c1Br ZINC001120862148 934526967 /nfs/dbraw/zinc/52/69/67/934526967.db2.gz NJKKFXUPKBXRRD-UHFFFAOYSA-N 1 0 382.277 3.515 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1)C(C)C ZINC000561975187 934599879 /nfs/dbraw/zinc/59/98/79/934599879.db2.gz KDDBAFGBFXPDBH-IBGZPJMESA-N 1 0 379.508 3.725 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001121501576 934676549 /nfs/dbraw/zinc/67/65/49/934676549.db2.gz BLNYYXFOPXIJGD-OALUTQOASA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c([C@H](CC)[C@H](O)c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121553499 934695484 /nfs/dbraw/zinc/69/54/84/934695484.db2.gz OIMZHGAHJGGDME-NHCUHLMSSA-N 1 0 397.567 3.658 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001121834065 934775464 /nfs/dbraw/zinc/77/54/64/934775464.db2.gz VQLGZIJJEDZEKG-NRFANRHFSA-N 1 0 382.533 3.673 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ncccc3c2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001122484718 934880982 /nfs/dbraw/zinc/88/09/82/934880982.db2.gz BOTSFSJOQNACSB-PZJWPPBQSA-N 1 0 388.519 3.600 20 30 GHEDRO C=C(C)Cn1c(-c2ccco2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001122507139 934885821 /nfs/dbraw/zinc/88/58/21/934885821.db2.gz VOYQPGWSSNSKLM-UHFFFAOYSA-N 1 0 377.492 3.827 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001122525785 934889963 /nfs/dbraw/zinc/88/99/63/934889963.db2.gz LDOZAKSEPNYGJK-GOSISDBHSA-N 1 0 398.580 3.688 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001122545369 934895461 /nfs/dbraw/zinc/89/54/61/934895461.db2.gz BLMKHEOMFJRELS-CVEARBPZSA-N 1 0 395.642 3.889 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001122545370 934895492 /nfs/dbraw/zinc/89/54/92/934895492.db2.gz BLMKHEOMFJRELS-HOTGVXAUSA-N 1 0 395.642 3.889 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)[C@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122645448 934932308 /nfs/dbraw/zinc/93/23/08/934932308.db2.gz CAWQBAUHNCMNEV-RBUKOAKNSA-N 1 0 389.588 3.573 20 30 GHEDRO CC(C)Cn1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C(C)(C)CC#N ZINC001122704391 934956168 /nfs/dbraw/zinc/95/61/68/934956168.db2.gz ZUGZEIKSHSWWEO-PKOBYXMFSA-N 1 0 384.572 3.578 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000828015472 935527885 /nfs/dbraw/zinc/52/78/85/935527885.db2.gz GENJFBYVHWTFSP-DENIHFKCSA-N 1 0 376.500 3.729 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000828073562 935573569 /nfs/dbraw/zinc/57/35/69/935573569.db2.gz NFCMJFCYFCKEOX-UHFFFAOYSA-N 1 0 389.503 3.822 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1Br)C1CCN(C(C)=O)CC1 ZINC001137639226 935654137 /nfs/dbraw/zinc/65/41/37/935654137.db2.gz SPUMYSOAWKSEJO-UHFFFAOYSA-N 1 0 378.314 3.544 20 30 GHEDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC001137640227 935655949 /nfs/dbraw/zinc/65/59/49/935655949.db2.gz XAMJHOKIOQTGAD-UKRRQHHQSA-N 1 0 379.298 3.732 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000829713457 935849911 /nfs/dbraw/zinc/84/99/11/935849911.db2.gz KHZMPJLDEABNAF-UHFFFAOYSA-N 1 0 384.520 3.965 20 30 GHEDRO N#CCCC[C@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000830018659 935890845 /nfs/dbraw/zinc/89/08/45/935890845.db2.gz QJAMJKLKDNQGSX-FQEVSTJZSA-N 1 0 377.444 3.629 20 30 GHEDRO C=CCC1(NC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CCCC1 ZINC001220686344 1032064085 /nfs/dbraw/zinc/06/40/85/1032064085.db2.gz OFRGWRWBVMQQKE-OAQYLSRUSA-N 1 0 384.568 3.553 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C#N ZINC001545668170 1014704921 /nfs/dbraw/zinc/70/49/21/1014704921.db2.gz NIKOBKMXZFIEAM-SJORKVTESA-N 1 0 393.539 3.753 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)c(OC(C)C)c(Cl)c3)C2)C1=O ZINC001277152483 1032104254 /nfs/dbraw/zinc/10/42/54/1032104254.db2.gz MXWGYMQKLHIHBJ-FQEVSTJZSA-N 1 0 395.330 3.838 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H](C)Cc4cccc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001171221537 1014961824 /nfs/dbraw/zinc/96/18/24/1014961824.db2.gz OSIAYQAEKYNCGA-BPUDTRNYSA-N 1 0 375.516 3.635 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+](C)C)cc1 ZINC000468231302 1015457864 /nfs/dbraw/zinc/45/78/64/1015457864.db2.gz WSZUSSKLGPFMQM-OAQYLSRUSA-N 1 0 388.471 3.808 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000545385746 1015830353 /nfs/dbraw/zinc/83/03/53/1015830353.db2.gz NWFCSCWRAMJIJM-AZUAARDMSA-N 1 0 389.565 3.558 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2)ns1 ZINC000468720729 1015951379 /nfs/dbraw/zinc/95/13/79/1015951379.db2.gz UVTFPPXCOLIWTI-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO COC(=O)[C@H](N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)c1cccc(C#N)c1 ZINC000468797063 1016042256 /nfs/dbraw/zinc/04/22/56/1016042256.db2.gz BTJFRKKJQWSXDC-FGZHOGPDSA-N 1 0 379.504 3.519 20 30 GHEDRO CC(C)CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000469106092 1016489311 /nfs/dbraw/zinc/48/93/11/1016489311.db2.gz XAZCZVAHAAVUPX-HOTGVXAUSA-N 1 0 389.565 3.820 20 30 GHEDRO C[C@H]1[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000925318630 1017069773 /nfs/dbraw/zinc/06/97/73/1017069773.db2.gz GJHKVCJLYNLJKM-OXJNMPFZSA-N 1 0 378.476 3.546 20 30 GHEDRO C#Cc1ccc(C(=O)NC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)cc1 ZINC001221145098 1032305919 /nfs/dbraw/zinc/30/59/19/1032305919.db2.gz FVSNZPPMMVSRDO-UHFFFAOYSA-N 1 0 386.417 3.781 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC001221144943 1032306216 /nfs/dbraw/zinc/30/62/16/1032306216.db2.gz YPAHZDGZFQVZMF-UHFFFAOYSA-N 1 0 381.451 3.515 20 30 GHEDRO N#Cc1ccc(CN(C(=O)[C@H]2CCc3ccccc3N2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221185929 1032321556 /nfs/dbraw/zinc/32/15/56/1032321556.db2.gz KFNNHFGXHDMZDT-MQSCRBSSSA-N 1 0 388.515 3.584 20 30 GHEDRO CCCC(C[NH3+])(CCC)NC(=O)/C=C(\C)C(=O)c1ccc(Br)cc1 ZINC001221371182 1032389550 /nfs/dbraw/zinc/38/95/50/1032389550.db2.gz DPWOGSOLLOTUNO-WYMLVPIESA-N 1 0 395.341 3.992 20 30 GHEDRO N#Cc1cc2ccc(O[C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)cc2oc1=O ZINC001227381954 1032397250 /nfs/dbraw/zinc/39/72/50/1032397250.db2.gz HCMFEPFXBSIDHZ-SFHVURJKSA-N 1 0 380.831 3.971 20 30 GHEDRO N#C[C@@H](c1ccc(N2CCN3CCc4ccccc4[C@@H]3C2)nn1)c1ccccc1F ZINC001155094591 1032411388 /nfs/dbraw/zinc/41/13/88/1032411388.db2.gz CTFXJMKQIDNXPS-OFNKIYASSA-N 1 0 399.473 3.691 20 30 GHEDRO CSc1ccc(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC001221463898 1032425500 /nfs/dbraw/zinc/42/55/00/1032425500.db2.gz FACNNLMORPPORP-IYBDPMFKSA-N 1 0 388.581 3.836 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc1 ZINC001204173033 1032623082 /nfs/dbraw/zinc/62/30/82/1032623082.db2.gz RXSGXBDVTARKFZ-XMMPIXPASA-N 1 0 375.516 3.986 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000925549682 1017100414 /nfs/dbraw/zinc/10/04/14/1017100414.db2.gz ITGNFWNARIJXGC-DOTOQJQBSA-N 1 0 387.528 3.696 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(C#N)cc1 ZINC000558741654 1017276346 /nfs/dbraw/zinc/27/63/46/1017276346.db2.gz JOXHTJYLJOPZGV-JTQLQIEISA-N 1 0 394.219 3.888 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000558786472 1017286861 /nfs/dbraw/zinc/28/68/61/1017286861.db2.gz NKWKIEOWXDDRJV-GOSISDBHSA-N 1 0 397.954 3.675 20 30 GHEDRO COc1ccc(CN(CCCCC2(C#N)CCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000929159986 1017630351 /nfs/dbraw/zinc/63/03/51/1017630351.db2.gz VKSYRFSERIRQHU-IBGZPJMESA-N 1 0 390.549 3.548 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(C#N)ccc1Cl ZINC000560584714 1017672521 /nfs/dbraw/zinc/67/25/21/1017672521.db2.gz HKSMJCHGUGLHQW-UHFFFAOYSA-N 1 0 375.822 3.948 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1 ZINC001204299814 1032740654 /nfs/dbraw/zinc/74/06/54/1032740654.db2.gz FSKBLYWWYJWKQM-JOCHJYFZSA-N 1 0 380.488 3.849 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](CCCCC(C)(C)C#N)CCO2 ZINC000932713011 1018601149 /nfs/dbraw/zinc/60/11/49/1018601149.db2.gz RANCRRRCQDSCOR-UHFFFAOYSA-N 1 0 379.545 3.808 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](C[C@@H]3C[C@@]34CCOC4)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932938685 1018766879 /nfs/dbraw/zinc/76/68/79/1018766879.db2.gz AYPOBBIBEUYXOO-LNFKQOIKSA-N 1 0 379.291 3.516 20 30 GHEDRO Cc1cc(C)n(CC[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000932945315 1018776673 /nfs/dbraw/zinc/77/66/73/1018776673.db2.gz VJUCFMCXLQNSIN-PHIMTYICSA-N 1 0 391.306 3.603 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccccc2C#N)CC1 ZINC001204370279 1032810902 /nfs/dbraw/zinc/81/09/02/1032810902.db2.gz WSMCQZKVBLPXIA-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](C(C)(C)C)C3)sc2C1 ZINC000566079497 1019215541 /nfs/dbraw/zinc/21/55/41/1019215541.db2.gz KRXGUFQANSRSLM-KDOFPFPSSA-N 1 0 389.565 3.820 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cn(C(C)=O)c4ccccc34)C2)CC1 ZINC001204406981 1032831029 /nfs/dbraw/zinc/83/10/29/1032831029.db2.gz LGFLABOHDPVDHT-UHFFFAOYSA-N 1 0 381.476 3.522 20 30 GHEDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1nc(OC)c(C#N)cc1F ZINC001156018458 1032843922 /nfs/dbraw/zinc/84/39/22/1032843922.db2.gz FJRRIEHWMKKZOB-UHFFFAOYSA-N 1 0 380.423 3.520 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)c1 ZINC000576727415 1020056990 /nfs/dbraw/zinc/05/69/90/1020056990.db2.gz WPQHCKZYQHKLMT-UHFFFAOYSA-N 1 0 395.453 3.965 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CC[NH2+]C[C@@H]3c3cccs3)nn2)cc1 ZINC001156088748 1032871711 /nfs/dbraw/zinc/87/17/11/1032871711.db2.gz BFZBSHDBQDJKDW-IEBWSBKVSA-N 1 0 375.501 3.653 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OCC(F)(F)F)nc3)CC2)cc1 ZINC000576964917 1020097317 /nfs/dbraw/zinc/09/73/17/1020097317.db2.gz BSQNGDWLHSTWMR-UHFFFAOYSA-N 1 0 390.409 3.653 20 30 GHEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cl)cc1Cl ZINC000577366553 1020177931 /nfs/dbraw/zinc/17/79/31/1020177931.db2.gz YBPBAGPWVJHHPD-KRWDZBQOSA-N 1 0 392.330 3.956 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(C)nn(-c4ccccc4)c3C)C2)CC1 ZINC001204447526 1032888085 /nfs/dbraw/zinc/88/80/85/1032888085.db2.gz ISOHFSOLGVOVNE-UHFFFAOYSA-N 1 0 394.519 3.710 20 30 GHEDRO C=CC[N@@H+](CCOC)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000191762510 1020807741 /nfs/dbraw/zinc/80/77/41/1020807741.db2.gz MFLUOBQGOAXPEY-UHFFFAOYSA-N 1 0 380.229 3.694 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192045331 1020843708 /nfs/dbraw/zinc/84/37/08/1020843708.db2.gz XERWJPDQEJLRCZ-FPOVZHCZSA-N 1 0 383.879 3.706 20 30 GHEDRO C=CCc1cc(OC)c(OC[C@H]2CN(Cc3ccccc3)CCO2)c(OC)c1 ZINC001228427286 1032930793 /nfs/dbraw/zinc/93/07/93/1032930793.db2.gz GMFNMMVZNCKTJS-HXUWFJFHSA-N 1 0 383.488 3.712 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000304747406 1021153694 /nfs/dbraw/zinc/15/36/94/1021153694.db2.gz GKPWQZQHOSKTHO-UHFFFAOYSA-N 1 0 382.508 3.867 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(Br)cc1N)C2 ZINC001140223316 1021186719 /nfs/dbraw/zinc/18/67/19/1021186719.db2.gz XFPPYWKKTGFKHS-RBUKOAKNSA-N 1 0 395.341 3.605 20 30 GHEDRO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1OC(C)C ZINC001203020592 1021328550 /nfs/dbraw/zinc/32/85/50/1021328550.db2.gz MVGZEHDDTRGXOY-UHFFFAOYSA-N 1 0 380.492 3.849 20 30 GHEDRO N#Cc1ccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000800825056 1021338060 /nfs/dbraw/zinc/33/80/60/1021338060.db2.gz BDPDGPDIWRDQMQ-UHFFFAOYSA-N 1 0 398.963 3.840 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccccc2-c2cnc(N)nc2)CC1 ZINC001140325156 1021404176 /nfs/dbraw/zinc/40/41/76/1021404176.db2.gz KCRKLCBRTLLLTO-UHFFFAOYSA-N 1 0 385.471 3.641 20 30 GHEDRO N#Cc1cc(C#N)c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1Cl ZINC001156319648 1032983268 /nfs/dbraw/zinc/98/32/68/1032983268.db2.gz ZQGIFAXIUIMUCJ-ATZDWAIDSA-N 1 0 377.879 3.801 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140401933 1021571656 /nfs/dbraw/zinc/57/16/56/1021571656.db2.gz WGVKUCZQPWHCNI-HSZRJFAPSA-N 1 0 394.494 3.816 20 30 GHEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)ccc1S(=O)(=O)C(F)F ZINC000834903364 1021654782 /nfs/dbraw/zinc/65/47/82/1021654782.db2.gz OOYSYIZESBZRJF-NSHDSACASA-N 1 0 398.406 3.553 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c2cc(C#N)ccc21 ZINC001140437591 1021705162 /nfs/dbraw/zinc/70/51/62/1021705162.db2.gz LOTQRSYSDPSECJ-PKOBYXMFSA-N 1 0 387.455 3.591 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)[C@H]1CO ZINC001140437769 1021708062 /nfs/dbraw/zinc/70/80/62/1021708062.db2.gz PWOPNKSPTNSRBX-YWZLYKJASA-N 1 0 383.492 3.889 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001140440009 1021713107 /nfs/dbraw/zinc/71/31/07/1021713107.db2.gz UFNDRBUKZUKWPI-LJQANCHMSA-N 1 0 394.519 3.966 20 30 GHEDRO C[C@@H]1CN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C[C@H](C)[N@H+]1C ZINC001140439955 1021713423 /nfs/dbraw/zinc/71/34/23/1021713423.db2.gz SIKCYQLQFYLJEC-IYBDPMFKSA-N 1 0 382.508 3.821 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000835068360 1021853617 /nfs/dbraw/zinc/85/36/17/1021853617.db2.gz GMIYUFHABCQGKC-ZHALLVOQSA-N 1 0 387.524 3.960 20 30 GHEDRO Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC001228625489 1033015182 /nfs/dbraw/zinc/01/51/82/1033015182.db2.gz AWJJWBZCPBWMEF-YLJYHZDGSA-N 1 0 382.533 3.811 20 30 GHEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001140590389 1022023188 /nfs/dbraw/zinc/02/31/88/1022023188.db2.gz HFWUNVDBJJVFSU-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@H]2C1 ZINC001140602120 1022049222 /nfs/dbraw/zinc/04/92/22/1022049222.db2.gz DZGUWXMWTDUFQK-WBVHZDCISA-N 1 0 375.900 3.900 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)cccc3Br)C2)C1=O ZINC001137463975 1022330451 /nfs/dbraw/zinc/33/04/51/1022330451.db2.gz IWMQLULJJFTPME-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO CC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001140755962 1022446790 /nfs/dbraw/zinc/44/67/90/1022446790.db2.gz ZWKOLYFJDSCUBP-IBGZPJMESA-N 1 0 385.458 3.559 20 30 GHEDRO Cc1cccc(N2C[C@@]3(CCN(Cc4cc(F)c(C#N)c(F)c4)C3)CC2=O)c1 ZINC001140757716 1022447925 /nfs/dbraw/zinc/44/79/25/1022447925.db2.gz QEMZPNALFUUVTH-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1F ZINC001140757810 1022448234 /nfs/dbraw/zinc/44/82/34/1022448234.db2.gz SXGYWADDQWBOTM-HXUWFJFHSA-N 1 0 387.455 3.917 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]2c2ccccc2)C1=O ZINC001140757880 1022449331 /nfs/dbraw/zinc/44/93/31/1022449331.db2.gz UWDXXCTVYFQFBL-XXBNENTESA-N 1 0 395.453 3.674 20 30 GHEDRO Cc1cc(Br)ccc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001140817460 1022619015 /nfs/dbraw/zinc/61/90/15/1022619015.db2.gz YUABTPIELDBICY-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(F)cc(OC)cc1F)CC2 ZINC001140823703 1022632996 /nfs/dbraw/zinc/63/29/96/1022632996.db2.gz OKSJNZAEXZTJGH-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CCO)c2cccs2)ccc1Cl ZINC000754386148 1022661726 /nfs/dbraw/zinc/66/17/26/1022661726.db2.gz KPPYLNVVCVOZAV-QGZVFWFLSA-N 1 0 391.924 3.670 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3cc(C#N)ccc3Br)cc2)CC1 ZINC001204765998 1033078367 /nfs/dbraw/zinc/07/83/67/1033078367.db2.gz RGXGVKVVQQSCLN-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000754695321 1022836833 /nfs/dbraw/zinc/83/68/33/1022836833.db2.gz XOJJJXQRIYFTSM-MJUUVYJYSA-N 1 0 381.520 3.568 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1O ZINC000754727788 1022862048 /nfs/dbraw/zinc/86/20/48/1022862048.db2.gz PZHACALPKBWASG-GOSISDBHSA-N 1 0 395.503 3.683 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(F)ccc(N)c3F)C2)CC1 ZINC001204842779 1033118541 /nfs/dbraw/zinc/11/85/41/1033118541.db2.gz DMVHUPNDGBJJBE-UHFFFAOYSA-N 1 0 379.451 3.548 20 30 GHEDRO C=CCn1c2nn(CN3CCC(CC)(CC)C3)c(=S)n2c2ccccc2c1=O ZINC000755930941 1023440651 /nfs/dbraw/zinc/44/06/51/1023440651.db2.gz LJDCMZCOFZJACO-UHFFFAOYSA-N 1 0 397.548 3.836 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1Cl ZINC001141112608 1023528450 /nfs/dbraw/zinc/52/84/50/1023528450.db2.gz GOTIAUWDCWPOCS-CVEARBPZSA-N 1 0 386.952 3.809 20 30 GHEDRO CCc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000756887771 1023847392 /nfs/dbraw/zinc/84/73/92/1023847392.db2.gz UJXAJJKPQLDLBO-INIZCTEOSA-N 1 0 393.535 3.624 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000757019176 1023909278 /nfs/dbraw/zinc/90/92/78/1023909278.db2.gz HOTLHWUFEZZDGT-GMAHTHKFSA-N 1 0 375.516 3.615 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(Cl)cc1NCC(F)(F)F ZINC001156672097 1033174258 /nfs/dbraw/zinc/17/42/58/1033174258.db2.gz GDKLKHCSGHDPPC-UHFFFAOYSA-N 1 0 377.838 3.894 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159151 1023984604 /nfs/dbraw/zinc/98/46/04/1023984604.db2.gz ANTUHLSPJXBSGV-UHFFFAOYSA-N 1 0 387.277 3.918 20 30 GHEDRO C=C[C@@H](CC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC001141260459 1024323003 /nfs/dbraw/zinc/32/30/03/1024323003.db2.gz QZXURROAIQOEPW-QFIPXVFZSA-N 1 0 391.559 3.983 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncc(F)cc2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001156749354 1033220793 /nfs/dbraw/zinc/22/07/93/1033220793.db2.gz ABQBRWYYRUMEFF-AWEZNQCLSA-N 1 0 379.439 3.915 20 30 GHEDRO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@@H]2C1 ZINC001138334955 1024696404 /nfs/dbraw/zinc/69/64/04/1024696404.db2.gz AKDMZTFJRPCOBG-DNQXCXABSA-N 1 0 396.490 3.883 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001138348176 1024709952 /nfs/dbraw/zinc/70/99/52/1024709952.db2.gz GQKDPWRPEZOWRK-RUZDIDTESA-N 1 0 390.527 3.805 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC(=O)c4ccccc43)CC2)cc1OC ZINC001138348341 1024710398 /nfs/dbraw/zinc/71/03/98/1024710398.db2.gz RMSPBNLXTLCWPU-UHFFFAOYSA-N 1 0 375.468 3.827 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(C)cc3)C2)C1 ZINC001138446057 1024864724 /nfs/dbraw/zinc/86/47/24/1024864724.db2.gz DXWZOMPKCFMORQ-HSZRJFAPSA-N 1 0 394.519 3.996 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3c[nH]nc3-c3ccc(C)cc3)C2)CC1 ZINC001138447563 1024867577 /nfs/dbraw/zinc/86/75/77/1024867577.db2.gz WMYCPRNEMFHASB-UHFFFAOYSA-N 1 0 380.492 3.606 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138449323 1024871369 /nfs/dbraw/zinc/87/13/69/1024871369.db2.gz WOVYFOLXLUUTKS-QHCPKHFHSA-N 1 0 378.520 3.918 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138556341 1025015228 /nfs/dbraw/zinc/01/52/28/1025015228.db2.gz QGBKNKJXBMVVFN-HSZRJFAPSA-N 1 0 384.520 3.922 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)cc1 ZINC001138559737 1025021331 /nfs/dbraw/zinc/02/13/31/1025021331.db2.gz QXVDCBQXYZUABV-UHFFFAOYSA-N 1 0 380.532 3.703 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cc1 ZINC001138559198 1025021841 /nfs/dbraw/zinc/02/18/41/1025021841.db2.gz GQJZUILDELCCCY-IOMROCGXSA-N 1 0 380.513 3.995 20 30 GHEDRO C#CCOc1ccc(CN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC001138560650 1025023156 /nfs/dbraw/zinc/02/31/56/1025023156.db2.gz FMRFFMZVTUDKTA-UHFFFAOYSA-N 1 0 394.490 3.618 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)c1O ZINC001138627234 1025127112 /nfs/dbraw/zinc/12/71/12/1025127112.db2.gz ABGZOFJKCVUDIA-JOCHJYFZSA-N 1 0 397.544 3.510 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)c1O ZINC001138629407 1025130193 /nfs/dbraw/zinc/13/01/93/1025130193.db2.gz XYEMWIYTALMGSG-UHFFFAOYSA-N 1 0 392.425 3.642 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030779 1025152182 /nfs/dbraw/zinc/15/21/82/1025152182.db2.gz QMJLCLBURGZBLH-FXAWDEMLSA-N 1 0 399.535 3.873 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000838485400 1025165597 /nfs/dbraw/zinc/16/55/97/1025165597.db2.gz AGNQPSMWDFEZDO-GOSISDBHSA-N 1 0 382.533 3.911 20 30 GHEDRO C=CCNC(=O)c1cccnc1NCC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001161992367 1025525463 /nfs/dbraw/zinc/52/54/63/1025525463.db2.gz QWMOPUOLVWZZKM-UHFFFAOYSA-N 1 0 398.938 3.675 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(NCC3(c4cccnc4)CC[NH2+]CC3)nc21 ZINC001162040030 1025556565 /nfs/dbraw/zinc/55/65/65/1025556565.db2.gz OQIXGHFCMINYNX-UHFFFAOYSA-N 1 0 375.520 3.695 20 30 GHEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000839089599 1025584857 /nfs/dbraw/zinc/58/48/57/1025584857.db2.gz HJVHGPRWEZOLCG-MSOLQXFVSA-N 1 0 379.545 3.570 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2nnc(-c3ccc(F)c(F)c3)c3ccccc32)CC1 ZINC001162231294 1025681212 /nfs/dbraw/zinc/68/12/12/1025681212.db2.gz HLRLIMVVBDUJKJ-UHFFFAOYSA-N 1 0 379.414 3.975 20 30 GHEDRO C#CCC(CC#C)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000832544704 1025688886 /nfs/dbraw/zinc/68/88/86/1025688886.db2.gz PXHXFIUVNMOYBJ-VWLOTQADSA-N 1 0 399.538 3.738 20 30 GHEDRO CCCOc1ccccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001138999681 1025746981 /nfs/dbraw/zinc/74/69/81/1025746981.db2.gz YSUTUIVINDGSNT-XMMPIXPASA-N 1 0 389.499 3.976 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@H](CC(=O)N3CCCC3)CO2)CC1 ZINC001139028324 1025794653 /nfs/dbraw/zinc/79/46/53/1025794653.db2.gz RSOYWDZZLAYPEH-FQEVSTJZSA-N 1 0 398.547 3.635 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@@H](CC(=O)N3CCCC3)CO2)CC1 ZINC001139028327 1025795217 /nfs/dbraw/zinc/79/52/17/1025795217.db2.gz RSOYWDZZLAYPEH-HXUWFJFHSA-N 1 0 398.547 3.635 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])n1 ZINC001162764669 1025910450 /nfs/dbraw/zinc/91/04/50/1025910450.db2.gz ZUABDAGAZQBOQR-FYEQCRDOSA-N 1 0 383.521 3.630 20 30 GHEDRO CCOC(=O)COc1ccccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001139129953 1025941666 /nfs/dbraw/zinc/94/16/66/1025941666.db2.gz LNYBUEMIXXFORW-UHFFFAOYSA-N 1 0 378.472 3.686 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1Cl ZINC001162957588 1025986153 /nfs/dbraw/zinc/98/61/53/1025986153.db2.gz OKOJPKWPRDJWNT-JTQLQIEISA-N 1 0 389.714 3.874 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](Nc1nc(Cl)nc(Cl)c1C#N)CC21CC[NH2+]CC1 ZINC001163023352 1026010203 /nfs/dbraw/zinc/01/02/03/1026010203.db2.gz DENRJGJPMUAPLY-HNNXBMFYSA-N 1 0 388.302 3.564 20 30 GHEDRO C=C(C)C[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccc(CO)o1 ZINC000839600360 1026098178 /nfs/dbraw/zinc/09/81/78/1026098178.db2.gz BACYZLZQBBTUNJ-KRWDZBQOSA-N 1 0 378.513 3.797 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](O)c1ccccc1 ZINC000839601669 1026101339 /nfs/dbraw/zinc/10/13/39/1026101339.db2.gz LZRHRKZVWGHATN-RTWAWAEBSA-N 1 0 397.544 3.785 20 30 GHEDRO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163283592 1026123711 /nfs/dbraw/zinc/12/37/11/1026123711.db2.gz HXAWTTMMGYIISR-GLEZIHRCSA-N 1 0 386.311 3.832 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141661189 1026157196 /nfs/dbraw/zinc/15/71/96/1026157196.db2.gz ZTHPQVROVILJOQ-PMACEKPBSA-N 1 0 396.332 3.885 20 30 GHEDRO C#CCCC1(CCNC(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N=N1 ZINC001163386270 1026172803 /nfs/dbraw/zinc/17/28/03/1026172803.db2.gz UKUZMNXBRWWXNH-UHFFFAOYSA-N 1 0 379.842 3.716 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)cc2)c1 ZINC001139402899 1026274286 /nfs/dbraw/zinc/27/42/86/1026274286.db2.gz AHZKFSHUVDKFIO-LADGPHEKSA-N 1 0 389.499 3.780 20 30 GHEDRO CC(C)N1CCC2(CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)C1=O ZINC001139406064 1026278891 /nfs/dbraw/zinc/27/88/91/1026278891.db2.gz LALWBOCAGQKYLX-UHFFFAOYSA-N 1 0 388.515 3.843 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N[C@H]3CC[N@@H+](C4CCCCC4)C3)c2c1 ZINC001163754467 1026303328 /nfs/dbraw/zinc/30/33/28/1026303328.db2.gz QEXSOUVWQNFEHH-INIZCTEOSA-N 1 0 380.492 3.943 20 30 GHEDRO Cc1c(C)n(-c2nc(C#N)c(C#N)nc2-c2ccccc2)c2ccc(C[NH3+])cc12 ZINC001163757298 1026304622 /nfs/dbraw/zinc/30/46/22/1026304622.db2.gz TUZOUIDIUZLIDU-UHFFFAOYSA-N 1 0 378.439 3.906 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1-n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001163762814 1026306888 /nfs/dbraw/zinc/30/68/88/1026306888.db2.gz NACDJSTYGCJILA-UHFFFAOYSA-N 1 0 380.455 3.821 20 30 GHEDRO N#CCCN(CCC#N)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512747 1026367441 /nfs/dbraw/zinc/36/74/41/1026367441.db2.gz HWVUMHPFQBVQQM-UHFFFAOYSA-N 1 0 387.531 3.638 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001163941229 1026368060 /nfs/dbraw/zinc/36/80/60/1026368060.db2.gz BUNMLCPBDYLMQV-JOCHJYFZSA-N 1 0 379.435 3.705 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)cc1F ZINC001139528008 1026386585 /nfs/dbraw/zinc/38/65/85/1026386585.db2.gz KCNIRPRNRIFNFR-XZOQPEGZSA-N 1 0 395.478 3.680 20 30 GHEDRO C[C@H]1CC[C@@H](C[NH3+])N(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001164077883 1026404336 /nfs/dbraw/zinc/40/43/36/1026404336.db2.gz KYQRQMTWPZDMBV-WFASDCNBSA-N 1 0 391.853 3.777 20 30 GHEDRO C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139614799 1026479120 /nfs/dbraw/zinc/47/91/20/1026479120.db2.gz HOSBKYUQEOTDOV-XMMPIXPASA-N 1 0 399.579 3.502 20 30 GHEDRO COC(OC)c1c(C#N)ccnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001164486380 1026526205 /nfs/dbraw/zinc/52/62/05/1026526205.db2.gz NMJPAMPSGKZHOE-HSALFYBXSA-N 1 0 392.503 3.567 20 30 GHEDRO CN1Cc2ccccc2CC2(CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)C1=O ZINC001139702466 1026547345 /nfs/dbraw/zinc/54/73/45/1026547345.db2.gz BHNFBFDKCQZYMF-UHFFFAOYSA-N 1 0 398.510 3.836 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]21 ZINC001139705089 1026549932 /nfs/dbraw/zinc/54/99/32/1026549932.db2.gz LJSTWIMWNGQIHG-FUDKSRODSA-N 1 0 399.498 3.581 20 30 GHEDRO Cc1cc(O)cc(C)c1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001139716891 1026560291 /nfs/dbraw/zinc/56/02/91/1026560291.db2.gz KHTKQZQOCFNHBP-UHFFFAOYSA-N 1 0 378.476 3.667 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N ZINC001139722545 1026565910 /nfs/dbraw/zinc/56/59/10/1026565910.db2.gz AQMMWPJTYNKHAB-UHFFFAOYSA-N 1 0 399.535 3.716 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1C#N ZINC001139725718 1026570256 /nfs/dbraw/zinc/57/02/56/1026570256.db2.gz YUMOQERVQQDDDA-JOCHJYFZSA-N 1 0 377.488 3.602 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165089232 1026598550 /nfs/dbraw/zinc/59/85/50/1026598550.db2.gz UDWZUXGYZNDCRJ-YJBOKZPZSA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[N@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)cn1 ZINC001139768318 1026604169 /nfs/dbraw/zinc/60/41/69/1026604169.db2.gz NBKKWCAOIFQLRJ-LEWJYISDSA-N 1 0 394.519 3.788 20 30 GHEDRO Cc1nc(C#N)cc(N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001165140362 1026631152 /nfs/dbraw/zinc/63/11/52/1026631152.db2.gz ODEDNSGFEPKARI-QHCPKHFHSA-N 1 0 383.499 3.938 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)nc2)cc1 ZINC001165350645 1026709993 /nfs/dbraw/zinc/70/99/93/1026709993.db2.gz BBAXZHDQOMGSPJ-BJKOFHAPSA-N 1 0 396.494 3.802 20 30 GHEDRO N#Cc1cc2nc(N(c3cccc(F)c3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc2[nH]1 ZINC001165481898 1026743481 /nfs/dbraw/zinc/74/34/81/1026743481.db2.gz RJKDBTZZWBVCNS-AVRDEDQJSA-N 1 0 391.450 3.623 20 30 GHEDRO Cc1cccc(N(c2nc(Cl)cc(C)c2C#N)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165771478 1026829575 /nfs/dbraw/zinc/82/95/75/1026829575.db2.gz LPEWLAGESHFZQG-LAUBAEHRSA-N 1 0 382.895 3.883 20 30 GHEDRO Cc1cccc(N(c2nc(C)c(C#N)cc2Cl)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165776507 1026833654 /nfs/dbraw/zinc/83/36/54/1026833654.db2.gz PUAOYZSRMGETAP-GHTZIAJQSA-N 1 0 382.895 3.883 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001140072307 1026853134 /nfs/dbraw/zinc/85/31/34/1026853134.db2.gz QSACVFLRYXHNKN-IBGZPJMESA-N 1 0 398.551 3.869 20 30 GHEDRO N#Cc1ccnc(N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)c1F ZINC001166129099 1026925311 /nfs/dbraw/zinc/92/53/11/1026925311.db2.gz MDBDIBPDUJNWQB-UHFFFAOYSA-N 1 0 385.446 3.927 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1C#N ZINC001166900691 1027143022 /nfs/dbraw/zinc/14/30/22/1027143022.db2.gz VDUQVKJERCJRFQ-GOSISDBHSA-N 1 0 379.533 3.706 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001209758452 1027154209 /nfs/dbraw/zinc/15/42/09/1027154209.db2.gz JZRZBPVYNCGMNU-JOCHJYFZSA-N 1 0 380.492 3.687 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840086316 1027164673 /nfs/dbraw/zinc/16/46/73/1027164673.db2.gz MGHOVCXBLJJYCI-QFIPXVFZSA-N 1 0 397.592 3.951 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001141775306 1027211078 /nfs/dbraw/zinc/21/10/78/1027211078.db2.gz MOPFZKZLCBSFKO-AAIMPIBUSA-N 1 0 391.515 3.741 20 30 GHEDRO Cc1cc(N)[nH+]cc1Nc1sc2c(c1C#N)CCN(C(=O)OC(C)(C)C)C2 ZINC001209967874 1027297504 /nfs/dbraw/zinc/29/75/04/1027297504.db2.gz OBYKYSHSIDSSJZ-UHFFFAOYSA-N 1 0 385.493 3.942 20 30 GHEDRO N#C[C@@H]1CNCCN1Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC001210120686 1027346281 /nfs/dbraw/zinc/34/62/81/1027346281.db2.gz HEOVVKBQNZDHRN-CQSZACIVSA-N 1 0 396.800 3.843 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001203591215 1027455821 /nfs/dbraw/zinc/45/58/21/1027455821.db2.gz KSTCMYHDIOJJOW-JOCHJYFZSA-N 1 0 387.524 3.603 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)NCc2ccc(C#N)c(F)c2)c1 ZINC001210493770 1027532026 /nfs/dbraw/zinc/53/20/26/1027532026.db2.gz MFEJBXWJSQCILK-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(Nc4ccc(F)cc4C#N)cc3)CC2)CC1 ZINC001210554554 1027554734 /nfs/dbraw/zinc/55/47/34/1027554734.db2.gz HXYZSDATUDWXEN-UHFFFAOYSA-N 1 0 393.510 3.657 20 30 GHEDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC001203749707 1027572421 /nfs/dbraw/zinc/57/24/21/1027572421.db2.gz ASICPIDKIFNZTI-GFUIURDCSA-N 1 0 375.284 3.778 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC001210644009 1027586036 /nfs/dbraw/zinc/58/60/36/1027586036.db2.gz BHNZRXUFXIQGRF-UHFFFAOYSA-N 1 0 399.560 3.967 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(Br)c1)CC2 ZINC001203765320 1027587761 /nfs/dbraw/zinc/58/77/61/1027587761.db2.gz NCWVZRIWMJHVTG-IBGZPJMESA-N 1 0 377.326 3.982 20 30 GHEDRO COc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001203822094 1027635443 /nfs/dbraw/zinc/63/54/43/1027635443.db2.gz DIXASNGJRYUYEN-XMMPIXPASA-N 1 0 391.515 3.686 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(N4CCOCC4)c(Cl)c3)sc2C1 ZINC001210979388 1027735504 /nfs/dbraw/zinc/73/55/04/1027735504.db2.gz HHUDFIVVNSOVMC-UHFFFAOYSA-N 1 0 388.924 3.841 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)ccc1OC ZINC000840898506 1027931606 /nfs/dbraw/zinc/93/16/06/1027931606.db2.gz LBKOYAWPLUBYFS-OAHLLOKOSA-N 1 0 390.386 3.987 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000840959027 1027992038 /nfs/dbraw/zinc/99/20/38/1027992038.db2.gz OLWVRXORVRATQZ-IFXJQAMLSA-N 1 0 389.293 3.905 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2ncc(C#N)cc2Cl)c2ccccc2)CC1 ZINC001142068533 1028021500 /nfs/dbraw/zinc/02/15/00/1028021500.db2.gz HUIBKWXSAHZGGX-IBGZPJMESA-N 1 0 382.895 3.810 20 30 GHEDRO CC[C@H](C)Sc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(C(F)(F)F)c1 ZINC000841093428 1028122557 /nfs/dbraw/zinc/12/25/57/1028122557.db2.gz SRMMMJYPXHRMJI-FIXISWKDSA-N 1 0 386.443 3.829 20 30 GHEDRO C[NH+]1CCN(c2cncc(-c3nc(-c4ccc(C#N)c5ccccc45)no3)c2)CC1 ZINC001213405440 1028171041 /nfs/dbraw/zinc/17/10/41/1028171041.db2.gz RUBAJJZRBLIQMA-UHFFFAOYSA-N 1 0 396.454 3.575 20 30 GHEDRO Cc1cc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c(C#N)cc1N(C)C ZINC000841238229 1028321119 /nfs/dbraw/zinc/32/11/19/1028321119.db2.gz CJAIUBBJBMANFI-DHZHZOJOSA-N 1 0 392.503 3.525 20 30 GHEDRO C[N@@H+](Cc1ccccc1Nc1ccncc1C#N)C[C@H](O)c1ccc(Cl)cc1 ZINC001214020775 1028509433 /nfs/dbraw/zinc/50/94/33/1028509433.db2.gz YNYSWAKEFJEGQP-QFIPXVFZSA-N 1 0 392.890 3.938 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142347817 1028728525 /nfs/dbraw/zinc/72/85/25/1028728525.db2.gz PGDUHACGPJYDNR-UHFFFAOYSA-N 1 0 388.393 3.823 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNCC[N@H+]1CCCC(C)(C)C1 ZINC001461466647 1069562396 /nfs/dbraw/zinc/56/23/96/1069562396.db2.gz ZAHDOQUKGXNUBH-UHFFFAOYSA-N 1 0 379.342 3.673 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1 ZINC001461522449 1069589758 /nfs/dbraw/zinc/58/97/58/1069589758.db2.gz QNXHGGOFBDLDEA-HNNXBMFYSA-N 1 0 386.414 3.634 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1C#N ZINC001461535716 1069597356 /nfs/dbraw/zinc/59/73/56/1069597356.db2.gz XGKNIXQDAGYYNM-FOIQADDNSA-N 1 0 381.451 3.548 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(N)cc3C(F)(F)F)cc2C#N)CC1 ZINC001216132697 1029536975 /nfs/dbraw/zinc/53/69/75/1029536975.db2.gz UEAOKYFVICEERB-UHFFFAOYSA-N 1 0 375.398 3.655 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1OC ZINC000842744455 1029552702 /nfs/dbraw/zinc/55/27/02/1029552702.db2.gz VXGFGEGGVVJQHD-INIZCTEOSA-N 1 0 381.476 3.640 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(-c3ccc(N4CC[NH2+]CC4)cc3)n2)c(C#N)c1 ZINC001216436989 1029637383 /nfs/dbraw/zinc/63/73/83/1029637383.db2.gz RKCBVMKYVFVXIL-UHFFFAOYSA-N 1 0 387.487 3.982 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142922579 1029697714 /nfs/dbraw/zinc/69/77/14/1029697714.db2.gz MXXKTWXDWSIYHY-SJLPKXTDSA-N 1 0 380.492 3.728 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]12 ZINC001142929018 1029710377 /nfs/dbraw/zinc/71/03/77/1029710377.db2.gz SLTPMUNXCAHZQM-RPBOFIJWSA-N 1 0 398.510 3.804 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@H]12 ZINC001142929726 1029711496 /nfs/dbraw/zinc/71/14/96/1029711496.db2.gz FHSFHJCJNMHHKE-AYOQOUSVSA-N 1 0 380.492 3.775 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CCC[C@@H](N4Cc5c(cccc5F)C4=O)C3)c[nH]c2c1 ZINC001142932153 1029712792 /nfs/dbraw/zinc/71/27/92/1029712792.db2.gz YKMHXRLDHWAGLC-QGZVFWFLSA-N 1 0 388.446 3.799 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 ZINC001461591915 1069626914 /nfs/dbraw/zinc/62/69/14/1069626914.db2.gz DCVNPXOSLIMHKL-OALUTQOASA-N 1 0 386.540 3.818 20 30 GHEDRO COC(=O)c1ccc2[nH]cc(C[N@@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)c2c1 ZINC001143238739 1029936420 /nfs/dbraw/zinc/93/64/20/1029936420.db2.gz GYUPDPLHLAMNQT-FQEVSTJZSA-N 1 0 389.455 3.870 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(-c3nc(-c4cc(F)cc(C#N)c4)no3)cc2)CC1 ZINC001216842216 1029957528 /nfs/dbraw/zinc/95/75/28/1029957528.db2.gz BWVFCUSKULMGKG-UHFFFAOYSA-N 1 0 391.450 3.552 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000843421316 1029994009 /nfs/dbraw/zinc/99/40/09/1029994009.db2.gz BOMHGYVCJSEWDR-CYBMUJFWSA-N 1 0 388.393 3.957 20 30 GHEDRO N#Cc1ccc(-c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)cc1[N+](=O)[O-] ZINC001216961859 1030035193 /nfs/dbraw/zinc/03/51/93/1030035193.db2.gz PSHHZAMHSAQZDH-YRNVUSSQSA-N 1 0 388.387 3.645 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1OC ZINC000843501750 1030050336 /nfs/dbraw/zinc/05/03/36/1030050336.db2.gz PFBVGRFSOXUCCB-FGBWHXJSSA-N 1 0 384.520 3.510 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3c[nH]c4cc(C#N)ccc34)n2)CC1 ZINC001217386937 1030356614 /nfs/dbraw/zinc/35/66/14/1030356614.db2.gz GOHDVIWZVHUQGR-UHFFFAOYSA-N 1 0 384.443 3.508 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cnn(C)c1-c1ccccc1)C(C)C ZINC001217606722 1030529698 /nfs/dbraw/zinc/52/96/98/1030529698.db2.gz SNFWWFGRQLVEFP-HXUWFJFHSA-N 1 0 381.524 3.907 20 30 GHEDRO N#CC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC001150640525 1030599133 /nfs/dbraw/zinc/59/91/33/1030599133.db2.gz ADQCTVQBSCDAJS-QFIPXVFZSA-N 1 0 377.488 3.527 20 30 GHEDRO C#C[C@H](COc1cccc(C(F)(F)F)c1)OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217928091 1030674181 /nfs/dbraw/zinc/67/41/81/1030674181.db2.gz NGXARQCMOBTGQR-IEBWSBKVSA-N 1 0 397.437 3.651 20 30 GHEDRO COc1cc(O[C@H]2CCC[NH2+]C[C@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001217946050 1030679173 /nfs/dbraw/zinc/67/91/73/1030679173.db2.gz AVBZKYRPUAYOLG-YGPFGLLOSA-N 1 0 385.435 3.766 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2C[NH2+]CC[C@@H]2F)c1 ZINC001217959455 1030688996 /nfs/dbraw/zinc/68/89/96/1030688996.db2.gz NPTWXYDGWQPPBP-IMZWBVRYSA-N 1 0 385.435 3.679 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001217996424 1030712080 /nfs/dbraw/zinc/71/20/80/1030712080.db2.gz RZMPFRASTUXUGX-XTGSKAHASA-N 1 0 395.455 3.523 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CCC[NH2+]C[C@H]2C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001217996512 1030712405 /nfs/dbraw/zinc/71/24/05/1030712405.db2.gz SZBIOVYUGAEGMI-PHEJRCTHSA-N 1 0 397.471 3.769 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001217996422 1030712676 /nfs/dbraw/zinc/71/26/76/1030712676.db2.gz RZMPFRASTUXUGX-BHSXHEHGSA-N 1 0 395.455 3.523 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3CCC[NH2+]CC3)cc2)cc1 ZINC001217998087 1030714298 /nfs/dbraw/zinc/71/42/98/1030714298.db2.gz ZZHKPTFFWORBNL-SFHVURJKSA-N 1 0 387.501 3.605 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218020585 1030727266 /nfs/dbraw/zinc/72/72/66/1030727266.db2.gz BYQLRGLHQYDZSW-VQTJNVASSA-N 1 0 393.462 3.583 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC001218044498 1030739857 /nfs/dbraw/zinc/73/98/57/1030739857.db2.gz BVSQNGSZGKTSAS-RXOZKDOZSA-N 1 0 381.472 3.977 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3CC[NH2+][C@@H](C)C3)cc2)cc1 ZINC001218054946 1030746741 /nfs/dbraw/zinc/74/67/41/1030746741.db2.gz DKPCERHUTJSFET-QFBILLFUSA-N 1 0 387.501 3.604 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001218061244 1030748368 /nfs/dbraw/zinc/74/83/68/1030748368.db2.gz OWFHCZQAQCVUMB-RMYLNHOSSA-N 1 0 397.471 3.825 20 30 GHEDRO C[C@@H]1C[C@@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)CC[NH2+]1 ZINC001218062154 1030749760 /nfs/dbraw/zinc/74/97/60/1030749760.db2.gz RMRWGYLJIIHGHI-XAIVGYSXSA-N 1 0 379.504 3.840 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001218072547 1030756674 /nfs/dbraw/zinc/75/66/74/1030756674.db2.gz XBAPTBAVOCAFDN-RNBODJDXSA-N 1 0 385.435 3.679 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CSC3(C[NH2+]C3)C2)c1C(=O)/C=C/c1ccccc1 ZINC001218102025 1030773545 /nfs/dbraw/zinc/77/35/45/1030773545.db2.gz LQZRMJCHOOQEQV-IWAYRVGRSA-N 1 0 397.496 3.523 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c(O)c1 ZINC001218148555 1030796432 /nfs/dbraw/zinc/79/64/32/1030796432.db2.gz ZOBQYAAEFIUPIL-MNZLEMJZSA-N 1 0 377.481 3.602 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC001218167018 1030805887 /nfs/dbraw/zinc/80/58/87/1030805887.db2.gz OWUMWBYIWUMFSL-CBQOVEMMSA-N 1 0 384.520 3.939 20 30 GHEDRO C[NH2+][C@H]1CC[C@H](Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)CC1 ZINC001218189152 1030813284 /nfs/dbraw/zinc/81/32/84/1030813284.db2.gz PMARJMDGOKJWBL-NNARZTPJSA-N 1 0 379.504 3.840 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1c(Br)c(C(F)(F)F)nc2ccccc21 ZINC001218199757 1030824198 /nfs/dbraw/zinc/82/41/98/1030824198.db2.gz HIHFQBYLWUCNIL-GZMMTYOYSA-N 1 0 386.171 3.506 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 ZINC001218204162 1030827119 /nfs/dbraw/zinc/82/71/19/1030827119.db2.gz VNKFPZSPJOOREP-GTNSWQLSSA-N 1 0 376.243 3.736 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(CC)c(F)cc1Oc1ccc(C(N)=O)cc1F ZINC001218206587 1030829717 /nfs/dbraw/zinc/82/97/17/1030829717.db2.gz CROBDRUGIPXIGM-HXUWFJFHSA-N 1 0 388.414 3.715 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CCC3(C[NH2+]C3)C2)c1C(=O)/C=C/c1ccccc1 ZINC001218238164 1030846515 /nfs/dbraw/zinc/84/65/15/1030846515.db2.gz NOALWUBZDKCGIL-DVBCCOPCSA-N 1 0 379.456 3.818 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)c2C1=O ZINC001218250189 1030853259 /nfs/dbraw/zinc/85/32/59/1030853259.db2.gz LCAADIRWPQYPKA-UAGQMJEPSA-N 1 0 381.472 3.963 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@H]2CCC[NH2+]C2)cc1 ZINC001218285671 1030872008 /nfs/dbraw/zinc/87/20/08/1030872008.db2.gz NTSVDWMAPJKOML-MZEUMTGBSA-N 1 0 397.471 3.739 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001218326746 1030894647 /nfs/dbraw/zinc/89/46/47/1030894647.db2.gz PSCINJCETBLZCQ-FRQCXROJSA-N 1 0 377.481 3.602 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[NH2+]C[C@H]3C)c(C#N)c2)nc1C ZINC001218412394 1030928737 /nfs/dbraw/zinc/92/87/37/1030928737.db2.gz FGSORUZGTZVEIJ-WBMJQRKESA-N 1 0 385.489 3.544 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3CC[NH2+]C[C@H]3C)c2)cc1OC ZINC001218414999 1030929488 /nfs/dbraw/zinc/92/94/88/1030929488.db2.gz NZFGLETZBAJYMD-FXECDGANSA-N 1 0 381.472 3.977 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(Br)nc(Br)c1 ZINC001218457442 1030944650 /nfs/dbraw/zinc/94/46/50/1030944650.db2.gz NESDGFXLELZVNN-GHMZBOCLSA-N 1 0 376.092 3.682 20 30 GHEDRO Cc1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218472188 1030951666 /nfs/dbraw/zinc/95/16/66/1030951666.db2.gz KLIVYRXMQZSARC-JABGNWEGSA-N 1 0 393.483 3.988 20 30 GHEDRO CC1(C)C[C@@H](Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)CC[NH2+]1 ZINC001218479630 1030954620 /nfs/dbraw/zinc/95/46/20/1030954620.db2.gz XLHRKJHLRHKDAP-FVLHSZHDSA-N 1 0 395.455 3.666 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c(O)c1 ZINC001218489341 1030959452 /nfs/dbraw/zinc/95/94/52/1030959452.db2.gz MWQYCUMVFVDSLZ-ZSZQSSIHSA-N 1 0 377.481 3.744 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c(OC)c1 ZINC001218494147 1030961640 /nfs/dbraw/zinc/96/16/40/1030961640.db2.gz ILKQDDSHFCJERI-DWKCHCPESA-N 1 0 385.504 3.946 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1nn(C)c2cc(Br)ccc12 ZINC001218507694 1030965931 /nfs/dbraw/zinc/96/59/31/1030965931.db2.gz GNXBUVMJQSDATL-AWEZNQCLSA-N 1 0 379.302 3.738 20 30 GHEDRO [NH3+][C@H](CC(=O)Nc1nc(F)cc(C(F)(F)F)c1F)Cc1ccc(F)c(F)c1 ZINC001218543911 1030980859 /nfs/dbraw/zinc/98/08/59/1030980859.db2.gz VYWPJRCHMFKXDZ-QMMMGPOBSA-N 1 0 395.278 3.555 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2cc(-c3ccc(F)cc3)no2)C1 ZINC001218589061 1030997044 /nfs/dbraw/zinc/99/70/44/1030997044.db2.gz RAUZHKVNUFCMDE-VLIAUNLRSA-N 1 0 390.418 3.512 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1 ZINC001218660721 1031022405 /nfs/dbraw/zinc/02/24/05/1031022405.db2.gz DGWIKXYUQJTIJB-NSMHLIOHSA-N 1 0 399.520 3.624 20 30 GHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001152052079 1031089129 /nfs/dbraw/zinc/08/91/29/1031089129.db2.gz CTJPPPCAMJMYNQ-HXUWFJFHSA-N 1 0 396.535 3.580 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC001218856525 1031117658 /nfs/dbraw/zinc/11/76/58/1031117658.db2.gz CPMRLAMBIWPFMM-CABCVRRESA-N 1 0 391.805 3.755 20 30 GHEDRO N#Cc1cccnc1N1CCC(OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224825173 1031138868 /nfs/dbraw/zinc/13/88/68/1031138868.db2.gz IBMQXCZZVIUUNF-NRFANRHFSA-N 1 0 390.531 3.851 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1nc(Cl)c(C#N)s1 ZINC001219069301 1031239015 /nfs/dbraw/zinc/23/90/15/1031239015.db2.gz GDOSAUGQYDRJDA-UHFFFAOYSA-N 1 0 377.901 3.830 20 30 GHEDRO CCc1cc(NC(=O)C2(c3ccc(OC)cc3)CC[NH2+]CC2)cc(CC)c1C#N ZINC001219115058 1031259041 /nfs/dbraw/zinc/25/90/41/1031259041.db2.gz ZKHFIXOBQBBBQH-UHFFFAOYSA-N 1 0 391.515 3.952 20 30 GHEDRO COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219310603 1031351444 /nfs/dbraw/zinc/35/14/44/1031351444.db2.gz KIXBCNLZSZCRQX-NRFANRHFSA-N 1 0 378.548 3.750 20 30 GHEDRO C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225550126 1031472764 /nfs/dbraw/zinc/47/27/64/1031472764.db2.gz OEKRCIRWZHIZBR-HNNXBMFYSA-N 1 0 378.350 3.664 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H](CC#N)C(F)(F)F ZINC001220098266 1031784090 /nfs/dbraw/zinc/78/40/90/1031784090.db2.gz OXBUHOGCOUAKJP-WMLDXEAASA-N 1 0 382.430 3.705 20 30 GHEDRO CSc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001277106898 1031842272 /nfs/dbraw/zinc/84/22/72/1031842272.db2.gz FUMGXEBMLBRIOF-IBGZPJMESA-N 1 0 377.941 3.790 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001220664191 1032051694 /nfs/dbraw/zinc/05/16/94/1032051694.db2.gz YUEYTESAUMQEPC-OXQOHEQNSA-N 1 0 375.472 3.547 20 30 GHEDRO CCCC[NH+](CCCC)CCNc1nc2ccccc2nc1[C@@H](C#N)C(=O)OC ZINC001156905646 1033311055 /nfs/dbraw/zinc/31/10/55/1033311055.db2.gz NXLNFNUHWUJLFZ-QGZVFWFLSA-N 1 0 397.523 3.724 20 30 GHEDRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4ccc(F)c(C#N)c4)C[C@H]3O2)n1 ZINC001205459350 1033422103 /nfs/dbraw/zinc/42/21/03/1033422103.db2.gz OFRURAANHMTUNX-ORYQWCPZSA-N 1 0 380.467 3.963 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)ccc1F ZINC001205472654 1033428177 /nfs/dbraw/zinc/42/81/77/1033428177.db2.gz GIWOZCCTIHXFHR-GOTSBHOMSA-N 1 0 395.478 3.680 20 30 GHEDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001229385979 1033453879 /nfs/dbraw/zinc/45/38/79/1033453879.db2.gz WOLNVHZRKNCQSD-HLNOYYKJSA-O 1 0 382.528 3.794 20 30 GHEDRO C=CC[C@@H]1[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCC1(C)C ZINC001205561467 1033470444 /nfs/dbraw/zinc/47/04/44/1033470444.db2.gz JNALXRJXPKCWFB-SFHVURJKSA-N 1 0 376.453 3.713 20 30 GHEDRO C[N@@H+]1CCc2cc(Cl)c(OC3CN(CCC#N)C3)cc2[C@@H](c2ccccc2)C1 ZINC001229698548 1033649825 /nfs/dbraw/zinc/64/98/25/1033649825.db2.gz DACXGUDGTZZDRG-OAQYLSRUSA-N 1 0 395.934 3.936 20 30 GHEDRO C#Cc1cnc2nc(O[C@H]3CC[N@H+](Cc4ccccc4)C3)n(C(CC)CC)c2n1 ZINC001229759216 1033693959 /nfs/dbraw/zinc/69/39/59/1033693959.db2.gz BFGWCRAISVSJMB-FQEVSTJZSA-N 1 0 389.503 3.822 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]2C1 ZINC001157690900 1033725265 /nfs/dbraw/zinc/72/52/65/1033725265.db2.gz SDHMQINXHUKTMB-GHMZBOCLSA-N 1 0 375.250 3.583 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001206202265 1033762116 /nfs/dbraw/zinc/76/21/16/1033762116.db2.gz CHWYIQIXQRGHNQ-KBPBESRZSA-N 1 0 396.329 3.960 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1c1ccc(Cl)cc1 ZINC000429167556 1033820481 /nfs/dbraw/zinc/82/04/81/1033820481.db2.gz XZPVJBHONCAPJJ-RBUKOAKNSA-N 1 0 384.863 3.609 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c(F)c1F ZINC001157973967 1033845871 /nfs/dbraw/zinc/84/58/71/1033845871.db2.gz VXIRELGWFONZMF-CQSZACIVSA-N 1 0 378.369 3.758 20 30 GHEDRO N#Cc1cc2nc(N(c3ccc(C(F)(F)F)cn3)C3CC[NH2+]CC3)ccc2[nH]1 ZINC001158091619 1033910539 /nfs/dbraw/zinc/91/05/39/1033910539.db2.gz CSDUMDRPZHYNRP-UHFFFAOYSA-N 1 0 386.381 3.738 20 30 GHEDRO Cc1ccc(CC[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1C ZINC001206585636 1033916665 /nfs/dbraw/zinc/91/66/65/1033916665.db2.gz YEMKBEIEZPCZAH-UHFFFAOYSA-N 1 0 385.515 3.930 20 30 GHEDRO COc1ccc(CN(c2nc(Cl)nc(C)c2C#N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158154406 1033940088 /nfs/dbraw/zinc/94/00/88/1033940088.db2.gz DDYQGPKVTHXZKV-WKILWMFISA-N 1 0 385.899 3.595 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[N@@H+]1Cc1ccccc1 ZINC001230216690 1033947591 /nfs/dbraw/zinc/94/75/91/1033947591.db2.gz DPUXQHRJRAAELX-ODOSVJCGSA-N 1 0 388.515 3.898 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCO[C@@H](C[NH+]4CCCC4)C3)c12 ZINC001158314762 1034017571 /nfs/dbraw/zinc/01/75/71/1034017571.db2.gz LQLROMJSSFOECY-AWEZNQCLSA-N 1 0 388.874 3.508 20 30 GHEDRO Cc1cnc(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)c(C#N)n1 ZINC001158425492 1034074558 /nfs/dbraw/zinc/07/45/58/1034074558.db2.gz PUTCYPLJUYFXKK-UHFFFAOYSA-N 1 0 395.510 3.958 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2ncnc3ccc(C#N)cc32)CC1 ZINC001158446695 1034081206 /nfs/dbraw/zinc/08/12/06/1034081206.db2.gz XOUKIMKKBWPFCN-UHFFFAOYSA-N 1 0 375.451 3.741 20 30 GHEDRO COC(=O)C[C@H](C#N)c1ccc(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)cc1 ZINC001230992555 1034329886 /nfs/dbraw/zinc/32/98/86/1034329886.db2.gz ANFVBROOBDITLN-FBBABVLZSA-N 1 0 393.487 3.856 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CCC3(CC2)[NH2+]CCc2ccccc23)cc(Cl)n1 ZINC001159010717 1034380005 /nfs/dbraw/zinc/38/00/05/1034380005.db2.gz MTKYBSOAFIECRS-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001207648656 1034510330 /nfs/dbraw/zinc/51/03/30/1034510330.db2.gz HENLFDGYZGQHST-DVECYGJZSA-N 1 0 397.563 3.954 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCC[C@H](Oc4ccccc4C#N)C3)[C@H]2C1 ZINC001207781129 1034573669 /nfs/dbraw/zinc/57/36/69/1034573669.db2.gz VAHXFYLMLDUAKF-LWYYNNOASA-N 1 0 397.519 3.514 20 30 GHEDRO N#Cc1cc(Nc2cccc(C(=O)NCc3ccccc3)c2)cc(C2C[NH2+]C2)c1 ZINC001159516861 1034633380 /nfs/dbraw/zinc/63/33/80/1034633380.db2.gz PXKWSEITBWRWKN-UHFFFAOYSA-N 1 0 382.467 3.919 20 30 GHEDRO COC(=O)c1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(Br)c1 ZINC001159704542 1034718459 /nfs/dbraw/zinc/71/84/59/1034718459.db2.gz ZLYFUEYSLSHBJP-UHFFFAOYSA-N 1 0 386.249 3.538 20 30 GHEDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231576885 1034728452 /nfs/dbraw/zinc/72/84/52/1034728452.db2.gz JOTFGQMNDHTOHO-XUZZJYLKSA-N 1 0 380.491 3.867 20 30 GHEDRO N#Cc1cc(Nc2ccc(OCC(F)(F)F)cc2)ccc1N1CC[NH2+]CC1 ZINC001159742672 1034731001 /nfs/dbraw/zinc/73/10/01/1034731001.db2.gz IFFICLRIXAIMPP-UHFFFAOYSA-N 1 0 376.382 3.653 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCCC4CCCC4)C3)C2)n1 ZINC001208089056 1034731752 /nfs/dbraw/zinc/73/17/52/1034731752.db2.gz ZLJNGUHQWZSBQY-HSZRJFAPSA-N 1 0 382.552 3.842 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001231619032 1034776238 /nfs/dbraw/zinc/77/62/38/1034776238.db2.gz FTPOQVOXCXXDSS-GGAORHGYSA-N 1 0 377.488 3.781 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3Br)C2)C1=O ZINC001276564254 1034789123 /nfs/dbraw/zinc/78/91/23/1034789123.db2.gz TWXUNSXZCPQVJV-FQEVSTJZSA-N 1 0 389.337 3.630 20 30 GHEDRO N#CCOc1ccccc1Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001159964984 1034805595 /nfs/dbraw/zinc/80/55/95/1034805595.db2.gz JKTIDKWTHZSWKG-UHFFFAOYSA-N 1 0 390.409 3.757 20 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ZINC001276569230 1034935262 /nfs/dbraw/zinc/93/52/62/1034935262.db2.gz MRSOPGFGCJRWHT-QGZVFWFLSA-N 1 0 383.717 3.713 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@H]1CCCCN1Cc1ccccc1)CC2 ZINC001208583010 1034940308 /nfs/dbraw/zinc/94/03/08/1034940308.db2.gz STGRFVBLHBTUMC-JOCHJYFZSA-N 1 0 397.563 3.762 20 30 GHEDRO N#Cc1ccc(N2CCCN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)nc1 ZINC001208588845 1034944824 /nfs/dbraw/zinc/94/48/24/1034944824.db2.gz LTXGLSVFIIATEO-QHCPKHFHSA-N 1 0 389.547 3.520 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CCN1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208588595 1034945006 /nfs/dbraw/zinc/94/50/06/1034945006.db2.gz JEIDKBQQVHMDFV-GMAHTHKFSA-N 1 0 394.563 3.577 20 30 GHEDRO C=CCOC[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)Cc2nnn(CC3CC3)c21 ZINC001208740744 1034994035 /nfs/dbraw/zinc/99/40/35/1034994035.db2.gz UBOZTQQCADSUCI-SFHVURJKSA-N 1 0 386.927 3.686 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)cnc1F ZINC001231927172 1034994684 /nfs/dbraw/zinc/99/46/84/1034994684.db2.gz OTZMYVCDQFKIPA-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ncc(Br)cc1F)C2 ZINC001231986573 1035025290 /nfs/dbraw/zinc/02/52/90/1035025290.db2.gz UUVBFMLBRHOVRF-QZTJIDSGSA-N 1 0 399.304 3.557 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(C)cc(F)cc3Br)CC2)C1=O ZINC001277597031 1035030604 /nfs/dbraw/zinc/03/06/04/1035030604.db2.gz VMCBUJWLHRHGLR-UHFFFAOYSA-N 1 0 395.316 3.897 20 30 GHEDRO CCOCc1nn(CC2CC2)c2c1C[N@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001208855984 1035060456 /nfs/dbraw/zinc/06/04/56/1035060456.db2.gz HZQNPYGMCBOMTF-UHFFFAOYSA-N 1 0 378.520 3.692 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(CCCc4ccc(C#N)cc4)CC[N@@H+]3C2)cc1 ZINC001208857427 1035061848 /nfs/dbraw/zinc/06/18/48/1035061848.db2.gz DYZPWSJNVCPKND-ISKFKSNPSA-N 1 0 375.516 3.637 20 30 GHEDRO CCn1ncc2c1C[N@H+](CCCc1ccc(C#N)cc1)C[C@H]2COCC1CC1 ZINC001208859671 1035063077 /nfs/dbraw/zinc/06/30/77/1035063077.db2.gz SRCUJSMAYZMNMV-NRFANRHFSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001208864909 1035066219 /nfs/dbraw/zinc/06/62/19/1035066219.db2.gz YSPIQCCWOFMYES-UHFFFAOYSA-N 1 0 381.907 3.992 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CCN(c3ccccc3)CC1)CC2 ZINC001208907498 1035083450 /nfs/dbraw/zinc/08/34/50/1035083450.db2.gz GGNUGOAKBSFEDC-DEOSSOPVSA-N 1 0 381.564 3.936 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)cc1 ZINC001208924173 1035090870 /nfs/dbraw/zinc/09/08/70/1035090870.db2.gz XPBKYDJQRHNAKV-UHFFFAOYSA-N 1 0 379.529 3.791 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC001208924236 1035091108 /nfs/dbraw/zinc/09/11/08/1035091108.db2.gz ZAEBBVHJIJRTEH-OAQYLSRUSA-N 1 0 382.458 3.733 20 30 GHEDRO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001208925593 1035091592 /nfs/dbraw/zinc/09/15/92/1035091592.db2.gz IZODHOSBKNFWPH-NRFANRHFSA-N 1 0 378.520 3.640 20 30 GHEDRO CC(C)(C)[C@H](C[NH3+])NC(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001160917133 1035092769 /nfs/dbraw/zinc/09/27/69/1035092769.db2.gz KTLUKQGJYIZYKE-HNNXBMFYSA-N 1 0 379.842 3.681 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)cc1Cl ZINC001232113656 1035102160 /nfs/dbraw/zinc/10/21/60/1035102160.db2.gz XTZKCICMHKEXMC-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001232118163 1035105843 /nfs/dbraw/zinc/10/58/43/1035105843.db2.gz JZLFAYVICOPQHM-XYJFISCASA-N 1 0 375.900 3.947 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CCNC(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001160968385 1035107561 /nfs/dbraw/zinc/10/75/61/1035107561.db2.gz MMLNCMIOUVQDRZ-OAHLLOKOSA-N 1 0 391.853 3.792 20 30 GHEDRO CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001160994492 1035114527 /nfs/dbraw/zinc/11/45/27/1035114527.db2.gz XSFLUNVUDLETEU-LDVJMBRRSA-N 1 0 399.538 3.589 20 30 GHEDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3nc(-c4ccncc4)ccc3C#N)C2)c1 ZINC001161193106 1035174264 /nfs/dbraw/zinc/17/42/64/1035174264.db2.gz QSECTPFXYDMRAA-FQEVSTJZSA-N 1 0 385.471 3.710 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(CCc2c(Cl)cccc2Cl)CC1 ZINC001209108357 1035176540 /nfs/dbraw/zinc/17/65/40/1035176540.db2.gz GIXXJCQOBUBIRJ-UHFFFAOYSA-N 1 0 382.379 3.828 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H]3CCC[C@H](c4ccccc4)[NH2+]3)C2)cc1 ZINC001161324900 1035208895 /nfs/dbraw/zinc/20/88/95/1035208895.db2.gz UIOHFDNBVCQCHB-DNVJHFABSA-N 1 0 389.499 3.811 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)c1ccc(Cl)cc1 ZINC001209329991 1035243124 /nfs/dbraw/zinc/24/31/24/1035243124.db2.gz MVBLMBUPINTFBT-LSDHHAIUSA-N 1 0 390.837 3.867 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCCCCC(=O)OCC)[C@H]2CC ZINC001209345449 1035246987 /nfs/dbraw/zinc/24/69/87/1035246987.db2.gz HRAJFAVLABAABO-UGKGYDQZSA-N 1 0 378.557 3.922 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1=O ZINC001209354154 1035250526 /nfs/dbraw/zinc/25/05/26/1035250526.db2.gz AZZKHWSMYHULJG-QFIPXVFZSA-N 1 0 393.572 3.572 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001209357931 1035251762 /nfs/dbraw/zinc/25/17/62/1035251762.db2.gz RMOGWYSENWQABP-DENIHFKCSA-N 1 0 396.572 3.898 20 30 GHEDRO C=CCCCCCCC[NH+]1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 ZINC001209440268 1035274266 /nfs/dbraw/zinc/27/42/66/1035274266.db2.gz BPBKCSXKJDQAFQ-UHFFFAOYSA-N 1 0 376.520 3.814 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[NH2+][C@H](C)c1ccccc1 ZINC001209556369 1035311306 /nfs/dbraw/zinc/31/13/06/1035311306.db2.gz DLEYFBJRYDGVSP-WBVHZDCISA-N 1 0 391.562 3.664 20 30 GHEDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC001161848372 1035314413 /nfs/dbraw/zinc/31/44/13/1035314413.db2.gz BUCUYOTXYDDYNA-NRFANRHFSA-N 1 0 379.504 3.743 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]([NH3+])Cc1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001248175873 1035603790 /nfs/dbraw/zinc/60/37/90/1035603790.db2.gz FKJUAPQBIHYQLC-INIZCTEOSA-N 1 0 398.507 3.897 20 30 GHEDRO CC1(C)CC(=O)C=C(c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)C1 ZINC001242316720 1035881393 /nfs/dbraw/zinc/88/13/93/1035881393.db2.gz KQLQUGVKTCAQMU-KRWDZBQOSA-N 1 0 392.503 3.969 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(-c2cnc(C#N)c(C)c2)nc2ccccc21 ZINC001242354216 1035892726 /nfs/dbraw/zinc/89/27/26/1035892726.db2.gz ZXCPTBYTWRIVST-UHFFFAOYSA-N 1 0 387.487 3.549 20 30 GHEDRO C[C@H]1CC(=O)C=C(c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)C1 ZINC001242740855 1035952553 /nfs/dbraw/zinc/95/25/53/1035952553.db2.gz TVFFCKSSGSIJEP-WBVHZDCISA-N 1 0 378.476 3.579 20 30 GHEDRO N#Cc1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3c3ccc(Br)cc3)n2)c1 ZINC001248568244 1035962407 /nfs/dbraw/zinc/96/24/07/1035962407.db2.gz ZAUQTWBQCRJNGR-SJORKVTESA-N 1 0 395.260 3.841 20 30 GHEDRO Cc1nc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ccc1C#N ZINC001462055668 1069969424 /nfs/dbraw/zinc/96/94/24/1069969424.db2.gz XTPZKBMGYWBNMZ-QGZVFWFLSA-N 1 0 377.275 3.601 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC)c4ccc(OC)cc34)C2)C1=O ZINC001248826365 1036187430 /nfs/dbraw/zinc/18/74/30/1036187430.db2.gz NFOZFPYNUZWDJH-DEOSSOPVSA-N 1 0 394.515 3.858 20 30 GHEDRO CC(=O)Nc1nc2ccc(-c3ccc(OC4CC[NH2+]CC4)c(C#N)c3)cc2s1 ZINC001243861224 1036306675 /nfs/dbraw/zinc/30/66/75/1036306675.db2.gz WNNHPVDDYTYIGQ-UHFFFAOYSA-N 1 0 392.484 3.924 20 30 GHEDRO N#C[C@H](c1ccc(C2=CC[C@H]([NH+]3CCOCC3)CC2)nn1)c1ccccc1F ZINC001245418014 1036915985 /nfs/dbraw/zinc/91/59/85/1036915985.db2.gz IJBRAPSGUINYLK-HKUYNNGSSA-N 1 0 378.451 3.539 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1C(F)(F)F ZINC001245757295 1036989850 /nfs/dbraw/zinc/98/98/50/1036989850.db2.gz JIOGGTJOICLHKA-OAHLLOKOSA-N 1 0 382.455 3.834 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001245901994 1037047577 /nfs/dbraw/zinc/04/75/77/1037047577.db2.gz LYUQMMJPINGQNF-UHFFFAOYSA-N 1 0 380.517 3.836 20 30 GHEDRO CCCCCCCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2S(=O)(=O)N(C)C ZINC001278420318 1037049005 /nfs/dbraw/zinc/04/90/05/1037049005.db2.gz KJPMHCIEGMBHSU-PMACEKPBSA-N 1 0 387.634 3.862 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC001246048429 1037160028 /nfs/dbraw/zinc/16/00/28/1037160028.db2.gz CMHNTRJYYFDYNW-FCHUYYIVSA-N 1 0 386.621 3.582 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[NH2+]C2(CC2)C1 ZINC001246048057 1037160851 /nfs/dbraw/zinc/16/08/51/1037160851.db2.gz XOEMMUDTZXZDAY-JOCHJYFZSA-N 1 0 398.632 3.739 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H](C)CCc1ccc(Br)cc1 ZINC001246310184 1037289872 /nfs/dbraw/zinc/28/98/72/1037289872.db2.gz FYXWIFHCUHJZQC-YJBOKZPZSA-N 1 0 397.357 3.587 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCN[C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246468604 1037419993 /nfs/dbraw/zinc/41/99/93/1037419993.db2.gz ZGYQHICHYKSWSG-PZJWPPBQSA-N 1 0 389.515 3.551 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCN[C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246468607 1037420390 /nfs/dbraw/zinc/42/03/90/1037420390.db2.gz ZGYQHICHYKSWSG-TZIWHRDSSA-N 1 0 389.515 3.551 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1)CC2 ZINC001246526542 1037458937 /nfs/dbraw/zinc/45/89/37/1037458937.db2.gz PADNLEZWHDEEEN-ACDBMABISA-N 1 0 377.573 3.796 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246764047 1037608169 /nfs/dbraw/zinc/60/81/69/1037608169.db2.gz DEBKBJQXYUFVQV-DWQJTFDBSA-N 1 0 388.527 3.753 20 30 GHEDRO CC[C@]1(C(=O)OC)C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)CN1 ZINC001246892237 1037709613 /nfs/dbraw/zinc/70/96/13/1037709613.db2.gz QQLWSUYXTCRYLT-KUWBRRTOSA-N 1 0 391.515 3.805 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(O)c3ncccc13)[C@@H]2CC ZINC001232273649 1037998825 /nfs/dbraw/zinc/99/88/25/1037998825.db2.gz DVPZXLBZLDSWFW-OFNKIYASSA-N 1 0 379.504 3.862 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@H](c3cccs3)N3CC([NH3+])C3)n2)c(C#N)c1 ZINC001247324008 1038116461 /nfs/dbraw/zinc/11/64/61/1038116461.db2.gz KLZHCLUPHUNGME-SFHVURJKSA-N 1 0 393.516 3.700 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc(OCc4ccccc4)nc3)C2)C1=O ZINC001232357465 1038136900 /nfs/dbraw/zinc/13/69/00/1038136900.db2.gz OUKYUHVBNVRVOO-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)c(O)cc3O)CC2)C1=O ZINC001277666557 1038215464 /nfs/dbraw/zinc/21/54/64/1038215464.db2.gz WPICBYNOVBMJPL-FQEVSTJZSA-N 1 0 378.900 3.532 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(OC)cc1O ZINC001277666868 1038236787 /nfs/dbraw/zinc/23/67/87/1038236787.db2.gz WEWMGRANUYRGBT-HXUWFJFHSA-N 1 0 378.900 3.587 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(Cc1cccc(Br)c1N)CCO2 ZINC001232524824 1038289302 /nfs/dbraw/zinc/28/93/02/1038289302.db2.gz FYQLISNSYZOVEH-VQIMIIECSA-N 1 0 395.341 3.605 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2ccc(Cl)cc2C#N)CC3)cn1 ZINC001232607266 1038389632 /nfs/dbraw/zinc/38/96/32/1038389632.db2.gz GNPLEMQQEODSPF-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)c(C#N)c1 ZINC001247881684 1038449873 /nfs/dbraw/zinc/44/98/73/1038449873.db2.gz FHHPDALXNDIDGG-NYHFZMIOSA-N 1 0 380.492 3.607 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1ccc(Br)[nH]1)[C@H]2CC ZINC001232685201 1038482143 /nfs/dbraw/zinc/48/21/43/1038482143.db2.gz FXVAVBJJKQJMMF-YJBOKZPZSA-N 1 0 380.330 3.699 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@@H]3CO[C@]4(C3)CCC[NH2+]CC4)n2)c(C#N)c1 ZINC001247934687 1038508081 /nfs/dbraw/zinc/50/80/81/1038508081.db2.gz ZWAOZNDRHCZCGP-KSFYIVLOSA-N 1 0 380.492 3.922 20 30 GHEDRO COC(=O)c1cccc2c(C[N@@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)c[nH]c21 ZINC001232713025 1038512848 /nfs/dbraw/zinc/51/28/48/1038512848.db2.gz GWHUBURZXVXONZ-LJQANCHMSA-N 1 0 389.455 3.870 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)s1 ZINC001232842805 1038593638 /nfs/dbraw/zinc/59/36/38/1038593638.db2.gz FEIGSDTYBSUIJW-JOCHJYFZSA-N 1 0 392.528 3.610 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)s1 ZINC001232843082 1038593922 /nfs/dbraw/zinc/59/39/22/1038593922.db2.gz IFOLHQSWQKRLLA-SFTDATJTSA-N 1 0 383.517 3.603 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2CF)CC1 ZINC001232844124 1038596433 /nfs/dbraw/zinc/59/64/33/1038596433.db2.gz GDTZHSRLFSLWAN-CJNGLKHVSA-N 1 0 379.501 3.695 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889993 1038675498 /nfs/dbraw/zinc/67/54/98/1038675498.db2.gz WJUQFEDJGRSPAB-NQIIRXRSSA-N 1 0 391.462 3.868 20 30 GHEDRO N#Cc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1Br ZINC001232894865 1038688429 /nfs/dbraw/zinc/68/84/29/1038688429.db2.gz GHPYYLJFKRKGRW-BGYRXZFFSA-N 1 0 396.332 3.885 20 30 GHEDRO N#Cc1cc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)ccc1Br ZINC001232898224 1038692612 /nfs/dbraw/zinc/69/26/12/1038692612.db2.gz BIRWFMCSSGTBAA-UHFFFAOYSA-N 1 0 382.305 3.639 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccc(C)cc2C#N)CC1 ZINC001232966451 1038739781 /nfs/dbraw/zinc/73/97/81/1038739781.db2.gz RFLIOBXTXDPFTQ-UHFFFAOYSA-N 1 0 393.531 3.980 20 30 GHEDRO COc1cc(Br)cn2ncc(CN3CCc4cc(C#N)ccc4C3)c12 ZINC001233021820 1038773961 /nfs/dbraw/zinc/77/39/61/1038773961.db2.gz HAWNJZSLEDYBPN-UHFFFAOYSA-N 1 0 397.276 3.535 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC001233080844 1038848710 /nfs/dbraw/zinc/84/87/10/1038848710.db2.gz DXSQSVYJNMHLLW-RLAPIPATSA-N 1 0 393.556 3.745 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)C(C)C)O2 ZINC001252127771 1038878971 /nfs/dbraw/zinc/87/89/71/1038878971.db2.gz FCCJAUOATQWAAC-QNWVGRARSA-N 1 0 396.616 3.884 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CN(CC)C(=O)[C@H]2COCC)CC1 ZINC001252127550 1038879074 /nfs/dbraw/zinc/87/90/74/1038879074.db2.gz BGDOLPLRXHYAFY-NHCUHLMSSA-N 1 0 396.616 3.695 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001252128629 1038881050 /nfs/dbraw/zinc/88/10/50/1038881050.db2.gz PNDKEBPOMKDESL-FCEUIQTBSA-N 1 0 376.541 3.805 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc(N2CCCCS2(=O)=O)c1 ZINC001252138985 1038889134 /nfs/dbraw/zinc/88/91/34/1038889134.db2.gz IBAQWUKUTZRVNJ-NRFANRHFSA-N 1 0 396.597 3.818 20 30 GHEDRO CC(C)C[NH+](CC(C)C)C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252312170 1038939699 /nfs/dbraw/zinc/93/96/99/1038939699.db2.gz CWMZQCNWQRYWFL-LJQANCHMSA-N 1 0 399.457 3.881 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252321176 1038941655 /nfs/dbraw/zinc/94/16/55/1038941655.db2.gz ITHXMLSZBGVWCV-CRAIPNDOSA-N 1 0 383.414 3.531 20 30 GHEDRO C[C@@](O)(C[NH2+][C@H]1CC12CCCCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252343651 1038948287 /nfs/dbraw/zinc/94/82/87/1038948287.db2.gz VUANXXMPXZVZBZ-FUHWJXTLSA-N 1 0 395.425 3.579 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@@H](O)C[NH2+]CCn1cnnc1 ZINC001252372504 1038961562 /nfs/dbraw/zinc/96/15/62/1038961562.db2.gz IRGYAORGHYRZCI-NRFANRHFSA-N 1 0 382.593 3.946 20 30 GHEDRO C=CCOC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC001252491624 1039005753 /nfs/dbraw/zinc/00/57/53/1039005753.db2.gz SPLKXFTXXNRFPN-APWZRJJASA-N 1 0 376.294 3.692 20 30 GHEDRO C=CCOC[C@@H](O)C[NH2+]Cc1coc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC001252497234 1039006517 /nfs/dbraw/zinc/00/65/17/1039006517.db2.gz MRAAOAFRXPRSFB-NRFANRHFSA-N 1 0 394.471 3.574 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(-c2cccc(Oc3ccnc(C#N)n3)c2)cc1 ZINC001252578650 1039036626 /nfs/dbraw/zinc/03/66/26/1039036626.db2.gz SEQMMQVGKNZQGR-QHCPKHFHSA-N 1 0 386.455 3.834 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001252582384 1039036965 /nfs/dbraw/zinc/03/69/65/1039036965.db2.gz QOEXHEBGIFBCQG-MAUKXSAKSA-N 1 0 399.329 3.542 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21 ZINC001252584598 1039038102 /nfs/dbraw/zinc/03/81/02/1039038102.db2.gz CDJOMFCZHCAALA-SDHOMARFSA-N 1 0 387.479 3.919 20 30 GHEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](OCc2ccccn2)[C@H](Cc2ccccc2)C1 ZINC001252595249 1039040809 /nfs/dbraw/zinc/04/08/09/1039040809.db2.gz GKOVMJKKPFBQEV-NHTMILBNSA-N 1 0 380.532 3.859 20 30 GHEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001252602981 1039045402 /nfs/dbraw/zinc/04/54/02/1039045402.db2.gz YULVLQSCDKFRGW-GOTSBHOMSA-N 1 0 378.516 3.617 20 30 GHEDRO N#Cc1cc(Cl)c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001252938340 1039280622 /nfs/dbraw/zinc/28/06/22/1039280622.db2.gz VWNNBSHNOFPRGO-LJQANCHMSA-N 1 0 376.287 3.914 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@H](O)COC[C@@H](CC)CCCC)CCO2 ZINC001253001514 1039329633 /nfs/dbraw/zinc/32/96/33/1039329633.db2.gz NPJURBJSDZHNLP-CWBXHPNXSA-N 1 0 397.600 3.654 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cnc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001233511888 1039399566 /nfs/dbraw/zinc/39/95/66/1039399566.db2.gz QKCFOXWEYCHMBT-SFHVURJKSA-N 1 0 391.393 3.642 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001253234393 1039488123 /nfs/dbraw/zinc/48/81/23/1039488123.db2.gz ANABJQMVAIZUBK-BVSLBCMMSA-N 1 0 388.527 3.603 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@H]1CC ZINC001253237076 1039492636 /nfs/dbraw/zinc/49/26/36/1039492636.db2.gz IJLJEJNWMVHLDJ-XPNTWCBSSA-N 1 0 394.600 3.756 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001253236732 1039492729 /nfs/dbraw/zinc/49/27/29/1039492729.db2.gz GCZPNTZVDLAYSL-AQNXPRMDSA-N 1 0 376.566 3.639 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCCN2Cc2ccn(C)n2)CC1 ZINC001253238924 1039496664 /nfs/dbraw/zinc/49/66/64/1039496664.db2.gz JHPXQPBNGQAKLY-QFIPXVFZSA-N 1 0 388.600 3.738 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC001253250294 1039502660 /nfs/dbraw/zinc/50/26/60/1039502660.db2.gz WUQPCPXEYILOKH-FCHUYYIVSA-N 1 0 378.532 3.504 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CC1(c2cc(OC)ccn2)CCOCC1 ZINC001253253702 1039504449 /nfs/dbraw/zinc/50/44/49/1039504449.db2.gz JUSZOHVFBLUSMR-IBGZPJMESA-N 1 0 376.541 3.616 20 30 GHEDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4cccc(C#N)c4)cc3)C[C@H]1[N@@H+]2C ZINC001233861931 1039669308 /nfs/dbraw/zinc/66/93/08/1039669308.db2.gz ZFGJYSBEYLLSKC-KZKAQZJJSA-N 1 0 376.456 3.771 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[NH+]1CCC(NC(=O)COC)CC1 ZINC001253565083 1039706402 /nfs/dbraw/zinc/70/64/02/1039706402.db2.gz JBXHAMFWRJKYMK-NRFANRHFSA-N 1 0 384.605 3.885 20 30 GHEDRO C=C[C@@H](O)C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)c3ccc(Cl)cc32)CC1 ZINC001253574063 1039707753 /nfs/dbraw/zinc/70/77/53/1039707753.db2.gz WZRKDUCJDOPRQV-MRXNPFEDSA-N 1 0 392.927 3.976 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1cccc(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588244 1039711493 /nfs/dbraw/zinc/71/14/93/1039711493.db2.gz UOYYZKRYJXFBKV-OALUTQOASA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610699 1039719846 /nfs/dbraw/zinc/71/98/46/1039719846.db2.gz VYTGQJTZKJJAGZ-RBUKOAKNSA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCn1ccnc1 ZINC001253613610 1039721974 /nfs/dbraw/zinc/72/19/74/1039721974.db2.gz AEXBCWLQNJYEHE-JOCHJYFZSA-N 1 0 397.604 3.788 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C(C)(C)CO ZINC001253616249 1039726934 /nfs/dbraw/zinc/72/69/34/1039726934.db2.gz QXWDKGDZTFJUEB-FQEVSTJZSA-N 1 0 375.594 3.662 20 30 GHEDRO COc1ccccc1/C=C/C(=O)c1ccccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001234090182 1039829463 /nfs/dbraw/zinc/82/94/63/1039829463.db2.gz NGZGPPMAXWBSRP-JKIKYLSZSA-N 1 0 379.480 3.959 20 30 GHEDRO Cc1cc(Br)sc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001277841076 1039934017 /nfs/dbraw/zinc/93/40/17/1039934017.db2.gz OUSLPJRFASGICR-ZIAGYGMSSA-N 1 0 396.354 3.688 20 30 GHEDRO COc1cc(/C=C\C(C)=O)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001234339456 1039975565 /nfs/dbraw/zinc/97/55/65/1039975565.db2.gz PBMCBZQJSPBTOJ-DYYZXQNHSA-N 1 0 395.499 3.967 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@H]4C[C@]5(CCC[NH2+]5)CO4)nn3)cc2)cc1 ZINC001254063614 1039980601 /nfs/dbraw/zinc/98/06/01/1039980601.db2.gz FUMGVCAAOLIXGA-ISKFKSNPSA-N 1 0 384.483 3.505 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C1 ZINC001254191899 1040039779 /nfs/dbraw/zinc/03/97/79/1040039779.db2.gz JRAXBMDUHUDGMB-GOSISDBHSA-N 1 0 382.508 3.976 20 30 GHEDRO CN(CC[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC001254343157 1040177470 /nfs/dbraw/zinc/17/74/70/1040177470.db2.gz ZFXZFJLPUBABMB-UHFFFAOYSA-N 1 0 375.488 3.986 20 30 GHEDRO COc1ccc(C[C@H](CO)[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)cc1 ZINC001254348465 1040182250 /nfs/dbraw/zinc/18/22/50/1040182250.db2.gz NQBBKCPFCPVMEV-WQMHRJNTSA-N 1 0 382.479 3.731 20 30 GHEDRO CCn1ncc2c1[C@H](COC)C[N@@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)C2 ZINC001254355376 1040187834 /nfs/dbraw/zinc/18/78/34/1040187834.db2.gz SJSBFQJTEIZPGW-RHKCVOJBSA-N 1 0 396.510 3.992 20 30 GHEDRO CCOC(=O)C1(F)CC[NH+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254357467 1040189375 /nfs/dbraw/zinc/18/93/75/1040189375.db2.gz GBAANVIMEGGVMR-UHFFFAOYSA-N 1 0 376.447 3.897 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(N(c2ncc(F)cn2)C2CC[NH2+]CC2)CC1 ZINC001254359568 1040191339 /nfs/dbraw/zinc/19/13/39/1040191339.db2.gz JUFGLSCZXNWKIM-UHFFFAOYSA-N 1 0 397.473 3.717 20 30 GHEDRO COc1cccnc1N1CC[NH+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254358575 1040191603 /nfs/dbraw/zinc/19/16/03/1040191603.db2.gz GPFOZSAIVMXRHB-UHFFFAOYSA-N 1 0 394.494 3.755 20 30 GHEDRO COc1cc2c3c(c1)COc1cc(O[C@H](CC#N)C[N+](C)(C)C)cc(c1-3)CC2 ZINC001234776093 1040304867 /nfs/dbraw/zinc/30/48/67/1040304867.db2.gz HOSHHEWZYKPJOG-GOSISDBHSA-N 1 0 379.480 3.720 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)(c2cccnc2)CC1 ZINC001254649620 1040418260 /nfs/dbraw/zinc/41/82/60/1040418260.db2.gz UTPIUAXDCOLTJD-MJGOQNOKSA-N 1 0 384.524 3.632 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)(Cc2cccnc2)CC1 ZINC001254648532 1040418350 /nfs/dbraw/zinc/41/83/50/1040418350.db2.gz MHORCNVRKJHFHK-ICSRJNTNSA-N 1 0 398.551 3.923 20 30 GHEDRO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO3)cs1 ZINC001254663876 1040425626 /nfs/dbraw/zinc/42/56/26/1040425626.db2.gz SILQIIIVFMXIJI-QGZVKYPTSA-N 1 0 375.538 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2ccccn2)[C@@H]2CC[C@H](C#N)C2)C1 ZINC001254678283 1040434449 /nfs/dbraw/zinc/43/44/49/1040434449.db2.gz ZYZSVSJHAICPLU-SXLOBPIMSA-N 1 0 384.524 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1ccc(Cl)c(C#N)c1)CS2 ZINC001254693062 1040452327 /nfs/dbraw/zinc/45/23/27/1040452327.db2.gz GUOZYCGSGYTUSG-OAHLLOKOSA-N 1 0 393.940 3.796 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([N@@H+]3CCC4SC(=O)C=C4C3)C2)CC1 ZINC001254748217 1040506481 /nfs/dbraw/zinc/50/64/81/1040506481.db2.gz HKVOMROKUGPSJD-IAGOWNOFSA-N 1 0 392.565 3.830 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235355819 1040833035 /nfs/dbraw/zinc/83/30/35/1040833035.db2.gz SPRVSLQBEQDQAU-NHCUHLMSSA-N 1 0 396.332 3.900 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CC(Oc3ccccc3C#N)C1)C2 ZINC001255250213 1040926383 /nfs/dbraw/zinc/92/63/83/1040926383.db2.gz VPJYOIWVFIMFJX-BCDXTJNWSA-N 1 0 383.492 3.552 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCC[C@@H](C(=O)OCC)C3)C2)CC1 ZINC001255357911 1040960032 /nfs/dbraw/zinc/96/00/32/1040960032.db2.gz QUZYJXSIOGSBJJ-RTBURBONSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCC[C@H](C(=O)OCC)C1)CC2 ZINC001255358993 1040961276 /nfs/dbraw/zinc/96/12/76/1040961276.db2.gz YFOURDLNPIAEHU-OALUTQOASA-N 1 0 392.540 3.609 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001235513042 1040969106 /nfs/dbraw/zinc/96/91/06/1040969106.db2.gz DSOIZWMOBKCBSC-QFIPXVFZSA-N 1 0 379.529 3.942 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001235515814 1040971234 /nfs/dbraw/zinc/97/12/34/1040971234.db2.gz CFDNFLXXTXKFPH-RUZDIDTESA-N 1 0 396.494 3.884 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001235517061 1040972319 /nfs/dbraw/zinc/97/23/19/1040972319.db2.gz IZEAJNYVGZZOHL-XMMPIXPASA-N 1 0 391.490 3.906 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccn1C(=O)OC(C)(C)C)CC2 ZINC001235626769 1041053373 /nfs/dbraw/zinc/05/33/73/1041053373.db2.gz RYJKZWLEPJPKMH-JOCHJYFZSA-N 1 0 387.524 3.804 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccn1C(=O)OC(C)(C)C)CC2 ZINC001235626770 1041053482 /nfs/dbraw/zinc/05/34/82/1041053482.db2.gz RYJKZWLEPJPKMH-QFIPXVFZSA-N 1 0 387.524 3.804 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccc(O)c(OC(F)(F)F)c1)CCC2 ZINC001235664252 1041117387 /nfs/dbraw/zinc/11/73/87/1041117387.db2.gz HGGNBNPEQMEFDS-UHFFFAOYSA-N 1 0 397.397 3.596 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)cc(C#N)c21 ZINC001255671978 1041204397 /nfs/dbraw/zinc/20/43/97/1041204397.db2.gz SQQSDUKBWDXLQM-AJNJGYFJSA-N 1 0 378.520 3.709 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CC(CC[NH3+])C3)c2)cc1 ZINC001235919507 1041429235 /nfs/dbraw/zinc/42/92/35/1041429235.db2.gz XOMOUTMJRUCKLX-UHFFFAOYSA-N 1 0 386.293 3.894 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235974740 1041479559 /nfs/dbraw/zinc/47/95/59/1041479559.db2.gz UZAFRPIEVMWAIN-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1OC ZINC001256124716 1041556381 /nfs/dbraw/zinc/55/63/81/1041556381.db2.gz ZSYLHLAZCLGELM-UHFFFAOYSA-N 1 0 385.479 3.969 20 30 GHEDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001256233669 1041668985 /nfs/dbraw/zinc/66/89/85/1041668985.db2.gz XGDGYUITMWXYRL-VGSWGCGISA-N 1 0 377.488 3.625 20 30 GHEDRO Cn1cc(CN(Cc2ccccc2F)C2CC[NH2+]CC2)c2cc(C#N)ccc21 ZINC001236371999 1041686258 /nfs/dbraw/zinc/68/62/58/1041686258.db2.gz PHBOYXGYZSEHQE-UHFFFAOYSA-N 1 0 376.479 3.943 20 30 GHEDRO COC(=O)c1cccc(CN(Cc2ccc(C#N)cc2Cl)C2CC[NH2+]CC2)c1 ZINC001236466798 1041728589 /nfs/dbraw/zinc/72/85/89/1041728589.db2.gz KHCLIPCRTKPLPX-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO N#Cc1ccc(F)c(CN(Cc2c(F)cccc2F)C2CC[NH2+]CC2)c1F ZINC001236513105 1041748298 /nfs/dbraw/zinc/74/82/98/1041748298.db2.gz PJOLZEOBODUPEP-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccc(F)c(O)c4)C3)C2)c1 ZINC001236706767 1041845128 /nfs/dbraw/zinc/84/51/28/1041845128.db2.gz YQNCHLDQBODANP-HSZRJFAPSA-N 1 0 395.478 3.522 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)CC2 ZINC001236767403 1041879989 /nfs/dbraw/zinc/87/99/89/1041879989.db2.gz BLSZYLWDJKYLGV-NRFANRHFSA-N 1 0 390.911 3.660 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236783833 1041889845 /nfs/dbraw/zinc/88/98/45/1041889845.db2.gz WUGALGXQNBKFKK-HXUWFJFHSA-N 1 0 396.487 3.848 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)c(F)cc1F)[C@@H]2CC ZINC001236821505 1041916865 /nfs/dbraw/zinc/91/68/65/1041916865.db2.gz LRVFKTFDHCZDOT-CTNGQTDRSA-N 1 0 378.463 3.895 20 30 GHEDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)c(Br)c1 ZINC001236855386 1041930461 /nfs/dbraw/zinc/93/04/61/1041930461.db2.gz BZUQLNPSCWSHFX-UHFFFAOYSA-N 1 0 382.302 3.667 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962411 1041971512 /nfs/dbraw/zinc/97/15/12/1041971512.db2.gz XWPCZABQRUWJBF-UHFFFAOYSA-N 1 0 376.342 3.922 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3O)CC2)c1 ZINC001237064236 1042016879 /nfs/dbraw/zinc/01/68/79/1042016879.db2.gz ZLZDCDGNTUJTTN-UHFFFAOYSA-N 1 0 391.393 3.527 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3csc(-c4ccc(OC)cc4)n3)C2)C1=O ZINC001237334673 1042153411 /nfs/dbraw/zinc/15/34/11/1042153411.db2.gz UYIGIWPLHOGLOO-JOCHJYFZSA-N 1 0 397.544 3.819 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237363809 1042172167 /nfs/dbraw/zinc/17/21/67/1042172167.db2.gz NTZHJLYKSJFTNW-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237448659 1042211385 /nfs/dbraw/zinc/21/13/85/1042211385.db2.gz HOVRXKRRWOSVNG-HXUWFJFHSA-N 1 0 388.899 3.827 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cn(C)c5ccc(C#N)cc45)C[C@H]3C2)cc1 ZINC001237467714 1042220264 /nfs/dbraw/zinc/22/02/64/1042220264.db2.gz SOKOPABVDZXAFZ-SZPZYZBQSA-N 1 0 384.527 3.922 20 30 GHEDRO Cn1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2cc(C#N)ccc21 ZINC001237470817 1042222675 /nfs/dbraw/zinc/22/26/75/1042222675.db2.gz YBNUZFSXWYDULB-UHFFFAOYSA-N 1 0 399.420 3.786 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237473108 1042223756 /nfs/dbraw/zinc/22/37/56/1042223756.db2.gz FEJXHMIHLFRVCO-MAUKXSAKSA-N 1 0 382.508 3.785 20 30 GHEDRO CN(C[C@H]1CCCN(Cc2cc(C#N)c(F)cc2F)C1)C(=O)OC(C)(C)C ZINC001237524494 1042249761 /nfs/dbraw/zinc/24/97/61/1042249761.db2.gz JBFKDRWPPOKFLX-CQSZACIVSA-N 1 0 379.451 3.915 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cn2cc(C#N)ccc2n1 ZINC001237616715 1042283033 /nfs/dbraw/zinc/28/30/33/1042283033.db2.gz GEVPHODKDCSQBA-UHOSZYNNSA-N 1 0 380.492 3.681 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(-c4cccc(Cl)c4)no3)C2)C1=O ZINC001237771800 1042362057 /nfs/dbraw/zinc/36/20/57/1042362057.db2.gz XNCUHQOTFFMCSE-NRFANRHFSA-N 1 0 385.895 3.996 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccc(-c3ccccn3)n1)C2 ZINC001237834898 1042393194 /nfs/dbraw/zinc/39/31/94/1042393194.db2.gz TUVWSISDMQSSSM-GOTSBHOMSA-N 1 0 379.504 3.717 20 30 GHEDRO N#Cc1cccc(C2CC[NH+](Cc3c[nH]c4ncc(Br)nc34)CC2)c1 ZINC001237851707 1042395388 /nfs/dbraw/zinc/39/53/88/1042395388.db2.gz PYXRVEAXHLTNIU-UHFFFAOYSA-N 1 0 396.292 3.972 20 30 GHEDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1F ZINC001237959658 1042438384 /nfs/dbraw/zinc/43/83/84/1042438384.db2.gz YXIDWGZDFBNEAL-HSZRJFAPSA-N 1 0 393.462 3.725 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(N3CCCCC3)n1)[C@@H]2CC ZINC001238001772 1042453054 /nfs/dbraw/zinc/45/30/54/1042453054.db2.gz PGOFCFCGKXGCGX-QPPBQGQZSA-N 1 0 396.579 3.994 20 30 GHEDRO CCOC(=O)c1ccc(N2CCN(Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC001238084374 1042486688 /nfs/dbraw/zinc/48/66/88/1042486688.db2.gz IDFDIJGJIADSDH-UHFFFAOYSA-N 1 0 383.879 3.711 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cncc(C4CC4)c3)C[C@@H]2c2ccccc2)C1=O ZINC001238184323 1042512468 /nfs/dbraw/zinc/51/24/68/1042512468.db2.gz KXLFXJLMLSNFKU-NOZRDPDXSA-N 1 0 387.527 3.963 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1ncc(OC)cc1Cl)[C@@H]2CC ZINC001238481549 1042612641 /nfs/dbraw/zinc/61/26/41/1042612641.db2.gz VTSSFZFKPIDGDN-QUCCMNQESA-N 1 0 377.916 3.665 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(F)cc1OC(C)C)CC2 ZINC001238695929 1042688674 /nfs/dbraw/zinc/68/86/74/1042688674.db2.gz RVWFOXYZCJBUPX-UHFFFAOYSA-N 1 0 376.472 3.833 20 30 GHEDRO CCc1cc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1C#N ZINC001238762270 1042718439 /nfs/dbraw/zinc/71/84/39/1042718439.db2.gz IXBKOGYVIXIIGX-GMAHTHKFSA-N 1 0 379.479 3.597 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+](Cc3cccnc3OCc3ccccc3)C2)C1=O ZINC001238777239 1042723839 /nfs/dbraw/zinc/72/38/39/1042723839.db2.gz XIMDEMXXUXKYJB-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1(Cc2cccc(F)c2)CC[NH2+]CC1 ZINC001238853202 1042742148 /nfs/dbraw/zinc/74/21/48/1042742148.db2.gz QWHYROFIRGPSKS-UHFFFAOYSA-N 1 0 384.561 3.770 20 30 GHEDRO N#Cc1ccc(Cl)cc1S(=O)(=O)N(C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239157630 1042775248 /nfs/dbraw/zinc/77/52/48/1042775248.db2.gz VRDRERCPKUJWDU-SAABIXHNSA-N 1 0 395.956 3.805 20 30 GHEDRO N#Cc1cccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)c1 ZINC001239250622 1042797803 /nfs/dbraw/zinc/79/78/03/1042797803.db2.gz VJDBHTIWRIHMLD-UHFFFAOYSA-N 1 0 388.393 3.977 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001239278550 1042800915 /nfs/dbraw/zinc/80/09/15/1042800915.db2.gz CXGDSFKNTIAVDW-JOCHJYFZSA-N 1 0 397.604 3.698 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001239308043 1042806287 /nfs/dbraw/zinc/80/62/87/1042806287.db2.gz JBPJNQLITQRPBO-DENIHFKCSA-N 1 0 395.588 3.844 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462672208 1070460729 /nfs/dbraw/zinc/46/07/29/1070460729.db2.gz WJVKLJOURVMZJR-UHFFFAOYSA-N 1 0 386.540 3.703 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1 ZINC001291098846 1043077330 /nfs/dbraw/zinc/07/73/30/1043077330.db2.gz WTAYJQWGMYSBFC-GOSISDBHSA-N 1 0 378.524 3.681 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001291154854 1043113608 /nfs/dbraw/zinc/11/36/08/1043113608.db2.gz GTGVCLFZRYCOTK-RTBURBONSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535311 1043475618 /nfs/dbraw/zinc/47/56/18/1043475618.db2.gz FAACQWLAPAQWCI-UGKGYDQZSA-N 1 0 385.552 3.664 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)cc1 ZINC001292107115 1043594341 /nfs/dbraw/zinc/59/43/41/1043594341.db2.gz DPDHOEIEVGHAGA-FBBABVLZSA-N 1 0 381.520 3.560 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CCN([C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001256922689 1043752306 /nfs/dbraw/zinc/75/23/06/1043752306.db2.gz FJLKXSIVMSAYAI-JOCHJYFZSA-N 1 0 395.551 3.551 20 30 GHEDRO C=C(C)C(=O)OCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001256933968 1043759026 /nfs/dbraw/zinc/75/90/26/1043759026.db2.gz DYUGILJJFCTMDD-RBUKOAKNSA-N 1 0 388.508 3.836 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C[C@H]1c1ccccc1 ZINC001256947162 1043767201 /nfs/dbraw/zinc/76/72/01/1043767201.db2.gz FIKODHWFINJVKA-RTWAWAEBSA-N 1 0 398.551 3.658 20 30 GHEDRO N#CC1CCC(n2cncc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CC1 ZINC001256960335 1043774662 /nfs/dbraw/zinc/77/46/62/1043774662.db2.gz SOPPYWKSGHSLAR-STKUJCBHSA-N 1 0 387.487 3.800 20 30 GHEDRO COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@@H+](C1CCC(C#N)CC1)CC2 ZINC001256966110 1043775819 /nfs/dbraw/zinc/77/58/19/1043775819.db2.gz BLZLNSXHCWDVPX-UHFFFAOYSA-N 1 0 379.460 3.611 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]CC3CCN(c4cnccn4)CC3)CC2)cc1 ZINC001257013132 1043799548 /nfs/dbraw/zinc/79/95/48/1043799548.db2.gz AIZKEALBEOQDRH-UHFFFAOYSA-N 1 0 375.520 3.881 20 30 GHEDRO CCOC(=O)Cn1nc(C)c(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1C ZINC001257016162 1043800368 /nfs/dbraw/zinc/80/03/68/1043800368.db2.gz WTXJUVGUUANEMI-UHFFFAOYSA-N 1 0 394.519 3.751 20 30 GHEDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001257178201 1043920000 /nfs/dbraw/zinc/92/00/00/1043920000.db2.gz FVOSOWGWHJMFFI-ICSRJNTNSA-N 1 0 387.524 3.951 20 30 GHEDRO CCc1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001292884600 1043929943 /nfs/dbraw/zinc/92/99/43/1043929943.db2.gz SFNLBXSEXHAHNG-OAQYLSRUSA-N 1 0 392.551 3.635 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1)C(C)C ZINC001292958972 1043966134 /nfs/dbraw/zinc/96/61/34/1043966134.db2.gz RTASHVXAOYLQRF-FGZHOGPDSA-N 1 0 383.536 3.611 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001293467440 1044196835 /nfs/dbraw/zinc/19/68/35/1044196835.db2.gz RXCWCDBCGDTKAP-WIYYLYMNSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C1C[C@@H]2CC(N(C(N)=[NH2+])C3CCN(C(=O)OC(C)(C)C)CC3)C[C@H](C1)C2 ZINC001257886497 1044244847 /nfs/dbraw/zinc/24/48/47/1044244847.db2.gz HQPDNPHQOVRBSP-BYICEURKSA-N 1 0 376.545 3.716 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]CCC3(O)CCN(C(=O)OC(C)(C)C)CC3)C[C@H](C1)C2 ZINC001257886873 1044245216 /nfs/dbraw/zinc/24/52/16/1044245216.db2.gz OKUHADBRUGNLFC-DFNIBXOVSA-N 1 0 378.557 3.863 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001257890315 1044246327 /nfs/dbraw/zinc/24/63/27/1044246327.db2.gz UKBMDMGZNQNFTN-DTRVGAPLSA-N 1 0 392.540 3.652 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3Cc4cncn4C[C@H](COc4cccnc4)C3)C[C@H](C1)C2 ZINC001257892258 1044247092 /nfs/dbraw/zinc/24/70/92/1044247092.db2.gz WSWKMCJJVGXYHO-JQKXYWIWSA-N 1 0 378.520 3.924 20 30 GHEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C ZINC001258044321 1044368331 /nfs/dbraw/zinc/36/83/31/1044368331.db2.gz LTJDPMPTMJZYDA-MOPGFXCFSA-N 1 0 390.572 3.755 20 30 GHEDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc(C#Cc4ccccc4)cc3)o2)C[C@@H](C)O1 ZINC001258137543 1044421910 /nfs/dbraw/zinc/42/19/10/1044421910.db2.gz ILFCRLOHFXGEDN-RTBURBONSA-N 1 0 387.483 3.788 20 30 GHEDRO CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CC[NH+](C2CC2)CC1 ZINC001294188472 1044514137 /nfs/dbraw/zinc/51/41/37/1044514137.db2.gz XPJVLDOFBDQTLR-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001294218642 1044531970 /nfs/dbraw/zinc/53/19/70/1044531970.db2.gz DWHPQXILSWZHLM-UHFFFAOYSA-N 1 0 391.523 3.513 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+]C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258415731 1044548213 /nfs/dbraw/zinc/54/82/13/1044548213.db2.gz CTRGJCVQIJXBRP-UHFFFAOYSA-N 1 0 392.522 3.920 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258547537 1044624931 /nfs/dbraw/zinc/62/49/31/1044624931.db2.gz QEQCFUOWIJVGPW-INIZCTEOSA-N 1 0 377.916 3.685 20 30 GHEDRO C[C@H](Cc1cccnc1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001258625530 1044675029 /nfs/dbraw/zinc/67/50/29/1044675029.db2.gz DFAIJVANSIZAMA-HYBUGGRVSA-N 1 0 390.531 3.503 20 30 GHEDRO C=CCC[C@@H](C)N(CC(C)C)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001258730102 1044735773 /nfs/dbraw/zinc/73/57/73/1044735773.db2.gz AUZONMPDSLEIHY-LJQANCHMSA-N 1 0 398.595 3.823 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001294649193 1044745876 /nfs/dbraw/zinc/74/58/76/1044745876.db2.gz ZDSJPWLCAZTCOQ-UHFFFAOYSA-N 1 0 392.551 3.807 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CCCC2)C1 ZINC001296035370 1045228508 /nfs/dbraw/zinc/22/85/08/1045228508.db2.gz BTRBALQAIRHIJL-HXUWFJFHSA-N 1 0 392.551 3.785 20 30 GHEDRO CCN(C(=O)C(F)(F)c1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001296065967 1045241590 /nfs/dbraw/zinc/24/15/90/1045241590.db2.gz SFRJCNIQYWTRID-LJQANCHMSA-N 1 0 383.442 3.773 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001296556346 1045337142 /nfs/dbraw/zinc/33/71/42/1045337142.db2.gz GDONDDBIOLEMBG-GOSISDBHSA-N 1 0 379.342 3.784 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C[NH+](C)C ZINC001298488895 1045832929 /nfs/dbraw/zinc/83/29/29/1045832929.db2.gz DRXGEJVONRDAKX-GOSISDBHSA-N 1 0 375.513 3.936 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1 ZINC001298885274 1045975371 /nfs/dbraw/zinc/97/53/71/1045975371.db2.gz IPYFYTMIRFHQFJ-GOSISDBHSA-N 1 0 395.555 3.524 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(C#N)CC1 ZINC001298889759 1045977119 /nfs/dbraw/zinc/97/71/19/1045977119.db2.gz WNFFTRMNLFOHFZ-IBGZPJMESA-N 1 0 384.572 3.796 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300801351 1046168884 /nfs/dbraw/zinc/16/88/84/1046168884.db2.gz OICZYWXCRWQQCU-AUSIDOKSSA-N 1 0 394.567 3.617 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300917892 1046240124 /nfs/dbraw/zinc/24/01/24/1046240124.db2.gz OJEMIWMWBJNJMY-IBGZPJMESA-N 1 0 391.604 3.770 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001300924561 1046245345 /nfs/dbraw/zinc/24/53/45/1046245345.db2.gz DARMWMXCXHSLGR-FQEVSTJZSA-N 1 0 397.567 3.910 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301079213 1046324667 /nfs/dbraw/zinc/32/46/67/1046324667.db2.gz BXYSNJWBSIICNQ-ICSRJNTNSA-N 1 0 394.567 3.925 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001301087898 1046332271 /nfs/dbraw/zinc/33/22/71/1046332271.db2.gz XLQCNOOGUGGQFG-FQEVSTJZSA-N 1 0 394.567 3.542 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001301119762 1046356212 /nfs/dbraw/zinc/35/62/12/1046356212.db2.gz VFXNVUPFBXPNNV-UHFFFAOYSA-N 1 0 390.535 3.703 20 30 GHEDRO C=CCC(C)(C)Cn1c(C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001301138670 1046367526 /nfs/dbraw/zinc/36/75/26/1046367526.db2.gz BZECKEJTWXDYEE-OYRHEFFESA-N 1 0 379.552 3.757 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001301143679 1046371180 /nfs/dbraw/zinc/37/11/80/1046371180.db2.gz NXOBMHQLLSWNKF-GOSISDBHSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301146124 1046372324 /nfs/dbraw/zinc/37/23/24/1046372324.db2.gz SCUHMLMITVVQFA-MSOLQXFVSA-N 1 0 382.556 3.559 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)CC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001301267878 1046440079 /nfs/dbraw/zinc/44/00/79/1046440079.db2.gz CJLUZDYNPPXLLV-QGZVFWFLSA-N 1 0 377.602 3.775 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCn2cc(C)nc21 ZINC001301305652 1046467336 /nfs/dbraw/zinc/46/73/36/1046467336.db2.gz JVXVUSJFKHVBKE-HXUWFJFHSA-N 1 0 390.535 3.768 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301305884 1046467936 /nfs/dbraw/zinc/46/79/36/1046467936.db2.gz RZGYPLFYJVTRGT-WOJBJXKFSA-N 1 0 381.568 3.806 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001301309169 1046471843 /nfs/dbraw/zinc/47/18/43/1046471843.db2.gz PDSTZUISSHSCFY-HXUWFJFHSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCn1c(-c2ccc(C[NH+]3CCC(OC)CC3)cc2)nnc1N1CCC[C@H]1C ZINC001262990739 1046474341 /nfs/dbraw/zinc/47/43/41/1046474341.db2.gz MPQWGIHNCPDQLH-GOSISDBHSA-N 1 0 395.551 3.731 20 30 GHEDRO C=CCN(c1nnc(-c2ccc[nH]2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC001301323130 1046485684 /nfs/dbraw/zinc/48/56/84/1046485684.db2.gz DQNKDIKJNLURCJ-ROUUACIJSA-N 1 0 382.556 3.796 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC001301329848 1046492848 /nfs/dbraw/zinc/49/28/48/1046492848.db2.gz OYZZQJZTOKGQNE-RBUKOAKNSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(CC)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C ZINC001301367344 1046512178 /nfs/dbraw/zinc/51/21/78/1046512178.db2.gz MOUBLWZEVBRLRW-IPMKNSEASA-N 1 0 391.629 3.869 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCCCC1 ZINC001301375544 1046514670 /nfs/dbraw/zinc/51/46/70/1046514670.db2.gz OSRVMEHXZAECJN-UHFFFAOYSA-N 1 0 396.495 3.518 20 30 GHEDRO C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001301436045 1046544868 /nfs/dbraw/zinc/54/48/68/1046544868.db2.gz JNEZISBNNAOMGM-INIZCTEOSA-N 1 0 385.581 3.992 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001301519664 1046577028 /nfs/dbraw/zinc/57/70/28/1046577028.db2.gz VPJYNXAEHVSOSO-UHFFFAOYSA-N 1 0 397.567 3.935 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1ccccc1 ZINC001263132293 1046577784 /nfs/dbraw/zinc/57/77/84/1046577784.db2.gz OWJPTKQPVSGBTC-TZIWHRDSSA-N 1 0 392.551 3.798 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001301544953 1046590405 /nfs/dbraw/zinc/59/04/05/1046590405.db2.gz BIDNGBWHMJROPG-UXHICEINSA-N 1 0 397.567 3.765 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC001301882290 1046745012 /nfs/dbraw/zinc/74/50/12/1046745012.db2.gz RHRYPJCPZFSWOZ-VGSWGCGISA-N 1 0 391.490 3.756 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001301957020 1046760472 /nfs/dbraw/zinc/76/04/72/1046760472.db2.gz RGWZECCVHCQDIH-KBXCAEBGSA-N 1 0 386.931 3.535 20 30 GHEDRO CC1(C)CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC(C)(C)[NH2+]1 ZINC001263992660 1047206328 /nfs/dbraw/zinc/20/63/28/1047206328.db2.gz MHMBFNBMQVVXOB-UHFFFAOYSA-N 1 0 378.476 3.738 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[NH+]1CCCC1 ZINC001303637602 1047461183 /nfs/dbraw/zinc/46/11/83/1047461183.db2.gz ZBMGXXLSNICVPE-KRWDZBQOSA-N 1 0 391.523 3.651 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303665493 1047471889 /nfs/dbraw/zinc/47/18/89/1047471889.db2.gz UOCFIDRUZWYKLD-MOPGFXCFSA-N 1 0 380.540 3.948 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1)[NH+](C)C ZINC001303695398 1047483683 /nfs/dbraw/zinc/48/36/83/1047483683.db2.gz INFVUHVRZXWDIO-YFVAEKQCSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@H](Cn1c(C2CC2)nnc1N1CCC(CC#N)CC1)[N@H+](C)Cc1ccccc1 ZINC001303707797 1047489512 /nfs/dbraw/zinc/48/95/12/1047489512.db2.gz JYOUBXIOERLQKB-GOSISDBHSA-N 1 0 392.551 3.806 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001303744422 1047502695 /nfs/dbraw/zinc/50/26/95/1047502695.db2.gz CIDFXCIEBSUCMH-GBESFXJTSA-N 1 0 392.551 3.641 20 30 GHEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001303791117 1047513024 /nfs/dbraw/zinc/51/30/24/1047513024.db2.gz LUZNRSNOQNVKHF-LBPRGKRZSA-N 1 0 375.259 3.611 20 30 GHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001264988176 1047534945 /nfs/dbraw/zinc/53/49/45/1047534945.db2.gz BVRBLHFTJMWGIZ-PTUXOGIPSA-N 1 0 399.579 3.926 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001304522042 1047699297 /nfs/dbraw/zinc/69/92/97/1047699297.db2.gz NDEKPHAITRPMTE-PKOBYXMFSA-N 1 0 380.540 3.724 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC001304994413 1047832120 /nfs/dbraw/zinc/83/21/20/1047832120.db2.gz YAAZUCABNRIYCV-HLIPFELVSA-N 1 0 380.540 3.782 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CCCC(F)(F)F)c(Cl)c1 ZINC001279527287 1047833768 /nfs/dbraw/zinc/83/37/68/1047833768.db2.gz WMDQMZDWXITBKU-HOTGVXAUSA-N 1 0 385.817 3.843 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001305014523 1047837436 /nfs/dbraw/zinc/83/74/36/1047837436.db2.gz GXAVHSCBAYVFRV-PGRDOPGGSA-N 1 0 396.514 3.652 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305020710 1047839119 /nfs/dbraw/zinc/83/91/19/1047839119.db2.gz DGVMGPUXFQDQDQ-ROUUACIJSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@H](Cn1c(CC2CCCC2)nnc1N(C)[C@@H](C)CC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024975 1047840618 /nfs/dbraw/zinc/84/06/18/1047840618.db2.gz KAOCYKWBHXLIAC-CEXWTWQISA-N 1 0 386.588 3.870 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCn2c(C3CC3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001305052168 1047859745 /nfs/dbraw/zinc/85/97/45/1047859745.db2.gz ZNBNZUAFQAGQED-SFHVURJKSA-N 1 0 384.572 3.798 20 30 GHEDRO C[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C1)[NH+]1CCCCC1 ZINC001305073326 1047875024 /nfs/dbraw/zinc/87/50/24/1047875024.db2.gz JBYIUANURNUCMA-RBUKOAKNSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001305081680 1047883595 /nfs/dbraw/zinc/88/35/95/1047883595.db2.gz XIWNLYKDLSDJFJ-ROUUACIJSA-N 1 0 392.551 3.783 20 30 GHEDRO CCCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NCc1c[nH]cn1 ZINC001279871568 1047974983 /nfs/dbraw/zinc/97/49/83/1047974983.db2.gz FRXZVLFDFQFVRQ-GOSISDBHSA-N 1 0 378.586 3.584 20 30 GHEDRO N#Cc1c(NC(=O)[C@H]2CCSC23C[NH+](CC2CC2)C3)sc2c1CCCC2 ZINC001279872798 1047975696 /nfs/dbraw/zinc/97/56/96/1047975696.db2.gz HLDQVTYGDRUQHY-MRXNPFEDSA-N 1 0 387.574 3.655 20 30 GHEDRO Cc1csc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC(CC#N)C2)c1Cl ZINC001279874296 1047976355 /nfs/dbraw/zinc/97/63/55/1047976355.db2.gz DKFAIQOSSGDHEV-SCAQPMJSSA-N 1 0 377.941 3.540 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305436734 1048051233 /nfs/dbraw/zinc/05/12/33/1048051233.db2.gz MNDQZEWYOMVDAB-SJORKVTESA-N 1 0 384.528 3.818 20 30 GHEDRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N(C)C[C@H](C)C#N)[NH+](C)C ZINC001305711259 1048226951 /nfs/dbraw/zinc/22/69/51/1048226951.db2.gz ZPNQQTDMVDNEFZ-XLIONFOSSA-N 1 0 382.556 3.907 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286283968 1048253690 /nfs/dbraw/zinc/25/36/90/1048253690.db2.gz WCXQGXUMWRJURQ-DLBZAZTESA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286286918 1048256495 /nfs/dbraw/zinc/25/64/95/1048256495.db2.gz LAZBDYLSYSMKLM-FXAWDEMLSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001286302905 1048264514 /nfs/dbraw/zinc/26/45/14/1048264514.db2.gz HEDYLYWOJAIKOM-QUCCMNQESA-N 1 0 395.551 3.899 20 30 GHEDRO C#CCN(C)c1nnc(CCc2ccccc2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286379018 1048300766 /nfs/dbraw/zinc/30/07/66/1048300766.db2.gz BYSFBROVSTZOLF-NHCUHLMSSA-N 1 0 393.579 3.501 20 30 GHEDRO CCc1ccc([C@@H](Cn2c(CC3CC3)nnc2N(C)[C@H](C)CC#N)[NH+](C)C)cc1 ZINC001305915671 1048306915 /nfs/dbraw/zinc/30/69/15/1048306915.db2.gz BJVDVFGSTHLRQL-DYESRHJHSA-N 1 0 394.567 3.834 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)(C)C)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001286418685 1048312831 /nfs/dbraw/zinc/31/28/31/1048312831.db2.gz GERZNWRYCHGZFE-HXUWFJFHSA-N 1 0 391.563 3.559 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305920500 1048313168 /nfs/dbraw/zinc/31/31/68/1048313168.db2.gz IPTHOCACSBJKGO-QZTJIDSGSA-N 1 0 382.556 3.834 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001286443181 1048325892 /nfs/dbraw/zinc/32/58/92/1048325892.db2.gz BJMZOTUKJUGIAO-IBGZPJMESA-N 1 0 379.552 3.916 20 30 GHEDRO C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001286449173 1048328630 /nfs/dbraw/zinc/32/86/30/1048328630.db2.gz MSZUAZVMYVSWTJ-NRFANRHFSA-N 1 0 385.600 3.981 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[N@H+]1CC ZINC001286523907 1048348955 /nfs/dbraw/zinc/34/89/55/1048348955.db2.gz FNVVPBZRXQFSNX-ZJSXRUAMSA-N 1 0 391.563 3.654 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCC[NH+]1CCCCC1 ZINC001286579987 1048372845 /nfs/dbraw/zinc/37/28/45/1048372845.db2.gz XLNDZGZQMAPWMZ-UHFFFAOYSA-N 1 0 382.556 3.542 20 30 GHEDRO C=C(Cn1c(CC(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC001286617450 1048388896 /nfs/dbraw/zinc/38/88/96/1048388896.db2.gz LRTFTEVHDVYQLO-PZJWPPBQSA-N 1 0 379.552 3.863 20 30 GHEDRO C=C1CCN(c2nnc(C(C)C)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001286637130 1048404974 /nfs/dbraw/zinc/40/49/74/1048404974.db2.gz VPPAAKWHPUCBNM-UHFFFAOYSA-N 1 0 383.540 3.547 20 30 GHEDRO C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286637803 1048406523 /nfs/dbraw/zinc/40/65/23/1048406523.db2.gz NDLJJRMKNZHQBD-DLBZAZTESA-N 1 0 387.503 3.664 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286651934 1048420094 /nfs/dbraw/zinc/42/00/94/1048420094.db2.gz PXCNKHYQQFNZEQ-AZUAARDMSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CC1CCN(c2nnc(C3CC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001286660628 1048426607 /nfs/dbraw/zinc/42/66/07/1048426607.db2.gz OCVVJDSISKFGGW-FQEVSTJZSA-N 1 0 383.515 4.000 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286661937 1048427690 /nfs/dbraw/zinc/42/76/90/1048427690.db2.gz PNVUZKOJZCWGDL-FQEVSTJZSA-N 1 0 394.567 3.863 20 30 GHEDRO CCc1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001306115649 1048439329 /nfs/dbraw/zinc/43/93/29/1048439329.db2.gz VHIZKVXSMUJELO-GOSISDBHSA-N 1 0 386.569 3.725 20 30 GHEDRO C=CCCOCCn1c(C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286706063 1048464727 /nfs/dbraw/zinc/46/47/27/1048464727.db2.gz JNNWEEZXTLXXGF-LJQANCHMSA-N 1 0 389.588 3.660 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286720828 1048477194 /nfs/dbraw/zinc/47/71/94/1048477194.db2.gz OEFLBVGVFLUOGO-OALUTQOASA-N 1 0 397.567 3.944 20 30 GHEDRO C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[NH+]1CCCCC1 ZINC001286722543 1048479592 /nfs/dbraw/zinc/47/95/92/1048479592.db2.gz ZFEHNMVDTUJHFL-UHFFFAOYSA-N 1 0 392.551 3.935 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CC[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC001286734077 1048492101 /nfs/dbraw/zinc/49/21/01/1048492101.db2.gz MXWVYTCYHBZBGQ-GOSISDBHSA-N 1 0 382.556 3.703 20 30 GHEDRO C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C[NH+](C)C)c1)C1CC1 ZINC001286734240 1048492278 /nfs/dbraw/zinc/49/22/78/1048492278.db2.gz RSWKUPKUJSNWID-UHFFFAOYSA-N 1 0 376.508 3.538 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286738762 1048497224 /nfs/dbraw/zinc/49/72/24/1048497224.db2.gz COGNXRUYBMMMEE-QFIPXVFZSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C)C1)C(C)C ZINC001286751136 1048504493 /nfs/dbraw/zinc/50/44/93/1048504493.db2.gz ANNOIQXWOTYVPQ-VAMGGRTRSA-N 1 0 387.572 3.674 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CCc2sccc2C1)C(C)C ZINC001286750825 1048504572 /nfs/dbraw/zinc/50/45/72/1048504572.db2.gz HTOAEJXJFRAHPG-IBGZPJMESA-N 1 0 385.581 3.909 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](C)C1)C(C)C ZINC001286751695 1048505361 /nfs/dbraw/zinc/50/53/61/1048505361.db2.gz SOHOWOKRPBPRCD-FPOVZHCZSA-N 1 0 394.567 3.885 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001286771967 1048520029 /nfs/dbraw/zinc/52/00/29/1048520029.db2.gz CGHKXBFVPCCMAA-KRWDZBQOSA-N 1 0 377.492 3.743 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC001286794515 1048525341 /nfs/dbraw/zinc/52/53/41/1048525341.db2.gz JDRKMHUGVZFGLS-UYAOXDASSA-N 1 0 395.551 3.688 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001286967186 1048558552 /nfs/dbraw/zinc/55/85/52/1048558552.db2.gz CIAVPOFNYWIHGX-MAUKXSAKSA-N 1 0 386.569 3.896 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CC)C1 ZINC001306366520 1048604162 /nfs/dbraw/zinc/60/41/62/1048604162.db2.gz HKCYPYPTVNVILA-MSOLQXFVSA-N 1 0 380.540 3.783 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 ZINC001306682283 1048809856 /nfs/dbraw/zinc/80/98/56/1048809856.db2.gz FURJBQZFWRAGPM-UHFFFAOYSA-N 1 0 392.507 3.778 20 30 GHEDRO CCC[N@H+](CC)CCn1c(-c2ccccc2F)nnc1N1CCC(C#N)CC1 ZINC001306805596 1048906181 /nfs/dbraw/zinc/90/61/81/1048906181.db2.gz LTDCAQZYJVQBBA-UHFFFAOYSA-N 1 0 384.503 3.556 20 30 GHEDRO CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001306810510 1048908719 /nfs/dbraw/zinc/90/87/19/1048908719.db2.gz DBVABPAMZDNCMX-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001306894599 1048948839 /nfs/dbraw/zinc/94/88/39/1048948839.db2.gz UJUYSLLDNDOQBU-INIZCTEOSA-N 1 0 389.348 3.929 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001287949016 1048955624 /nfs/dbraw/zinc/95/56/24/1048955624.db2.gz YFJVVPXJPFUJMY-QGZVFWFLSA-N 1 0 390.325 3.848 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(N)c1C#N ZINC001307193041 1049130102 /nfs/dbraw/zinc/13/01/02/1049130102.db2.gz QNXABKJMCNSTIJ-QGZVFWFLSA-N 1 0 379.464 3.540 20 30 GHEDRO C=CCn1c(SC[C@H]2CCC[N@@H+]2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001307237543 1049157844 /nfs/dbraw/zinc/15/78/44/1049157844.db2.gz DBDNHKKATWCMAY-ZIAGYGMSSA-N 1 0 389.590 3.955 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001288679577 1049195816 /nfs/dbraw/zinc/19/58/16/1049195816.db2.gz NXVDGWZJEOGJAB-ROUUACIJSA-N 1 0 382.556 3.834 20 30 GHEDRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001288692012 1049201330 /nfs/dbraw/zinc/20/13/30/1049201330.db2.gz YSNQSDXGVRZNDN-CVDCTZTESA-N 1 0 398.599 3.873 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001288799317 1049229868 /nfs/dbraw/zinc/22/98/68/1049229868.db2.gz CRELCOUDCGFEIQ-NHCUHLMSSA-N 1 0 377.513 3.535 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1F)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001307426195 1049263555 /nfs/dbraw/zinc/26/35/55/1049263555.db2.gz ADSSQYNLKZQAIS-JOCHJYFZSA-N 1 0 392.515 3.966 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC001307480236 1049318618 /nfs/dbraw/zinc/31/86/18/1049318618.db2.gz TZNXKFIZVUJHMJ-JOCHJYFZSA-N 1 0 382.479 3.827 20 30 GHEDRO CC(C)([C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001307608109 1049447128 /nfs/dbraw/zinc/44/71/28/1049447128.db2.gz QYAZRTCMYLOMJX-PXNSSMCTSA-N 1 0 391.506 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](C[NH2+]C3(c4cccc(C#N)c4)CC3)C2)C1 ZINC001307764110 1049578264 /nfs/dbraw/zinc/57/82/64/1049578264.db2.gz URDGHOLFVAQKIY-UGKGYDQZSA-N 1 0 397.519 3.553 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H]3C3CCC3)sc2C1 ZINC001307868349 1049651482 /nfs/dbraw/zinc/65/14/82/1049651482.db2.gz MPPFMZDALKXVMH-KBXCAEBGSA-N 1 0 387.549 3.574 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@@H](O)COc3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC001307876813 1049659232 /nfs/dbraw/zinc/65/92/32/1049659232.db2.gz AOWCLZQKBPKTNF-GOSISDBHSA-N 1 0 390.405 3.986 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC001307876598 1049659300 /nfs/dbraw/zinc/65/93/00/1049659300.db2.gz BNAJJIHECNKRDM-OAQYLSRUSA-N 1 0 379.479 3.658 20 30 GHEDRO O=C(N1C[C@H]([NH2+]CC#Cc2ccccc2Cl)Cc2ccccc21)C(F)(F)F ZINC001307916346 1049692665 /nfs/dbraw/zinc/69/26/65/1049692665.db2.gz ZRUSWEKYTFRJDL-MRXNPFEDSA-N 1 0 392.808 3.801 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2cccc(CNc3ncccc3C#N)c2)CCCCC1 ZINC001290005207 1049706942 /nfs/dbraw/zinc/70/69/42/1049706942.db2.gz LEDHNYBPFVUATP-UHFFFAOYSA-N 1 0 391.519 3.560 20 30 GHEDRO C#CCC1(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCCCC1 ZINC001290469593 1049848452 /nfs/dbraw/zinc/84/84/52/1049848452.db2.gz RPVKCANANRBSBK-UHFFFAOYSA-N 1 0 381.564 3.597 20 30 GHEDRO C=CC1(CC(=O)N(CC[NH+](CC)CC)CC(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC001290682011 1049900461 /nfs/dbraw/zinc/90/04/61/1049900461.db2.gz ZHYNGWBOHATEEZ-UHFFFAOYSA-N 1 0 395.588 3.626 20 30 GHEDRO COc1cccc(O[C@H](C)C[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001308285937 1049938313 /nfs/dbraw/zinc/93/83/13/1049938313.db2.gz ROFZSVKQVSVOEX-CYBMUJFWSA-N 1 0 375.266 3.886 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)[C@H]1CCCO1 ZINC001308377777 1049961889 /nfs/dbraw/zinc/96/18/89/1049961889.db2.gz NQHRTUNSFONLQO-ZNMIVQPWSA-N 1 0 381.316 3.829 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)n2)C1 ZINC001308808751 1050103121 /nfs/dbraw/zinc/10/31/21/1050103121.db2.gz BONUSIXRRZSYQV-PXNSSMCTSA-N 1 0 384.524 3.955 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001308962613 1050222664 /nfs/dbraw/zinc/22/26/64/1050222664.db2.gz LSFANTCQZLICDB-FUHWJXTLSA-N 1 0 386.540 3.607 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1C#N ZINC001309088982 1050340937 /nfs/dbraw/zinc/34/09/37/1050340937.db2.gz YNTYSOAHKZFACP-NQIIRXRSSA-N 1 0 397.544 3.713 20 30 GHEDRO N#Cc1ccc(OCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001328465187 1050515843 /nfs/dbraw/zinc/51/58/43/1050515843.db2.gz WMRGUPUJHUSZLZ-FRIKZZABSA-N 1 0 389.499 3.639 20 30 GHEDRO Cc1ccccc1C1(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CCOCC1 ZINC001329134320 1050730454 /nfs/dbraw/zinc/73/04/54/1050730454.db2.gz HZQCQBZXNOFISM-UHFFFAOYSA-N 1 0 377.488 3.533 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC001329140891 1050731689 /nfs/dbraw/zinc/73/16/89/1050731689.db2.gz ILPDFLLENOACAL-MRXNPFEDSA-N 1 0 386.858 3.548 20 30 GHEDRO C=C(Cl)C[C@H]1NC(=O)N(C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001329708262 1050889191 /nfs/dbraw/zinc/88/91/91/1050889191.db2.gz AUUHXRDHVUHHQL-ZZJWQFMZSA-N 1 0 387.911 3.635 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)c2)nc1 ZINC001310350563 1051302003 /nfs/dbraw/zinc/30/20/03/1051302003.db2.gz JZQLKEPYMCTBEQ-IBGZPJMESA-N 1 0 391.475 3.884 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2cc(CC#N)ccn2)C1 ZINC001311074924 1051829572 /nfs/dbraw/zinc/82/95/72/1051829572.db2.gz USGJPYOHIXZJHF-QZTJIDSGSA-N 1 0 391.519 3.947 20 30 GHEDRO CCCN(C(=O)N[C@H](CC#N)C(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001311215237 1051946007 /nfs/dbraw/zinc/94/60/07/1051946007.db2.gz GJQXKZCXOBTZEX-QZTJIDSGSA-N 1 0 396.457 3.917 20 30 GHEDRO N#CC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC001311216015 1051947265 /nfs/dbraw/zinc/94/72/65/1051947265.db2.gz MWDQGNFSBXFHPR-BZSNNMDCSA-N 1 0 394.441 3.527 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2ccon2)c1 ZINC001311236912 1051958826 /nfs/dbraw/zinc/95/88/26/1051958826.db2.gz WQWLNPAZJSLBGS-UHFFFAOYSA-N 1 0 389.459 3.809 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001311516207 1052214521 /nfs/dbraw/zinc/21/45/21/1052214521.db2.gz POWGAASBHHNKQG-UHFFFAOYSA-N 1 0 393.453 3.574 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)C[C@H]2C1 ZINC001336095130 1052226900 /nfs/dbraw/zinc/22/69/00/1052226900.db2.gz LSAWFGGMWCWEST-BRSBDYLESA-N 1 0 394.441 3.533 20 30 GHEDRO C#CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCCc2ccccc21 ZINC001311642927 1052295393 /nfs/dbraw/zinc/29/53/93/1052295393.db2.gz AUZBTPNQASNBIY-LADGPHEKSA-N 1 0 389.543 3.882 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC001336817419 1052342387 /nfs/dbraw/zinc/34/23/87/1052342387.db2.gz DPEYKVGNBBLQTG-TZIWHRDSSA-N 1 0 398.551 3.679 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC001337309375 1052445046 /nfs/dbraw/zinc/44/50/46/1052445046.db2.gz HWIPMLUPDBLUHL-LBPRGKRZSA-N 1 0 379.357 3.797 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001311998928 1052521556 /nfs/dbraw/zinc/52/15/56/1052521556.db2.gz ZJTSYLKMCABNJP-SBUREZEXSA-N 1 0 388.515 3.550 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCC1 ZINC001312643197 1052822602 /nfs/dbraw/zinc/82/26/02/1052822602.db2.gz NRUABMHRKPPPLL-JOCHJYFZSA-N 1 0 388.515 3.899 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1F ZINC001312943041 1052917381 /nfs/dbraw/zinc/91/73/81/1052917381.db2.gz OLNCJFAFDLIPBK-LJQANCHMSA-N 1 0 386.858 3.517 20 30 GHEDRO C=CCn1c(COC2CCCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342306599 1053094218 /nfs/dbraw/zinc/09/42/18/1053094218.db2.gz SUFKSJZVASVPQB-UHFFFAOYSA-N 1 0 387.572 3.768 20 30 GHEDRO CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](CC)C1CC1 ZINC001313767251 1053218574 /nfs/dbraw/zinc/21/85/74/1053218574.db2.gz VJQBQFFAJUIXKH-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)C#N)C(C)C ZINC001313807983 1053240502 /nfs/dbraw/zinc/24/05/02/1053240502.db2.gz GXAWKEPBCIWRAK-INIZCTEOSA-N 1 0 388.947 3.925 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC1 ZINC001313907325 1053282654 /nfs/dbraw/zinc/28/26/54/1053282654.db2.gz BUFATNILYCIEFE-FQEVSTJZSA-N 1 0 378.524 3.680 20 30 GHEDRO C=C(C)Cn1c(-c2sc(C)nc2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001342752273 1053336121 /nfs/dbraw/zinc/33/61/21/1053336121.db2.gz BFWMLOKKICWPDT-KRWDZBQOSA-N 1 0 388.585 3.763 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)OCC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001342826941 1053376858 /nfs/dbraw/zinc/37/68/58/1053376858.db2.gz JETHPHGKOZITCO-LJQANCHMSA-N 1 0 377.577 3.898 20 30 GHEDRO CC(C)Cn1c(-c2coc(C#N)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342852660 1053389591 /nfs/dbraw/zinc/38/95/91/1053389591.db2.gz DVXCFUASVIHNSN-UZLBHIALSA-N 1 0 394.523 3.519 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CCCCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343052443 1053519062 /nfs/dbraw/zinc/51/90/62/1053519062.db2.gz FREUFVPLEKLQSG-LJQANCHMSA-N 1 0 389.588 3.923 20 30 GHEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC001343272410 1053668612 /nfs/dbraw/zinc/66/86/12/1053668612.db2.gz KLEJVVAVWIMKCA-WLXPTCNVSA-N 1 0 375.516 3.582 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C1(C#N)CCCC1 ZINC001343534753 1053850813 /nfs/dbraw/zinc/85/08/13/1053850813.db2.gz NPCOHLVJVQPNQJ-QUCCMNQESA-N 1 0 394.567 3.643 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001343553547 1053872253 /nfs/dbraw/zinc/87/22/53/1053872253.db2.gz IESOTRPVPLAGPJ-ZWKOTPCHSA-N 1 0 377.577 3.898 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001343553545 1053872922 /nfs/dbraw/zinc/87/29/22/1053872922.db2.gz IESOTRPVPLAGPJ-QZTJIDSGSA-N 1 0 377.577 3.898 20 30 GHEDRO CN1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1 ZINC001343722534 1053986051 /nfs/dbraw/zinc/98/60/51/1053986051.db2.gz SGRBTFGVKRSNJP-FQEVSTJZSA-N 1 0 378.524 3.613 20 30 GHEDRO C=C(C)Cn1c([C@@H](CO)CC(C)(C)C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001343907523 1054106979 /nfs/dbraw/zinc/10/69/79/1054106979.db2.gz PADOFDIFGJRZNX-GOSISDBHSA-N 1 0 391.604 3.677 20 30 GHEDRO C=CCC[C@H]1CCCN1c1nnc([C@H]2CCC[N@@H+](C)C2)n1C[C@@H]1CCCCO1 ZINC001344299247 1054345739 /nfs/dbraw/zinc/34/57/39/1054345739.db2.gz ZDXCIOVGYNFPTO-UFYCRDLUSA-N 1 0 387.572 3.591 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318894312 1054939930 /nfs/dbraw/zinc/93/99/30/1054939930.db2.gz WJOWVSMHDVHBCQ-GHTZIAJQSA-N 1 0 397.544 3.599 20 30 GHEDRO C=CCn1cnn(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1=S ZINC001319583230 1055341403 /nfs/dbraw/zinc/34/14/03/1055341403.db2.gz IORHMKAVSFLLRL-UHFFFAOYSA-N 1 0 383.565 3.546 20 30 GHEDRO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC001319840222 1055499399 /nfs/dbraw/zinc/49/93/99/1055499399.db2.gz WKACECOWTBEOCL-IBGZPJMESA-N 1 0 391.515 3.875 20 30 GHEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC001320428079 1055798809 /nfs/dbraw/zinc/79/88/09/1055798809.db2.gz RHYBVYNADQHKPN-CJNGLKHVSA-N 1 0 376.522 3.911 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC001320624487 1055906511 /nfs/dbraw/zinc/90/65/11/1055906511.db2.gz DTHVIAZYKSAQKZ-YUVVGHDESA-N 1 0 395.453 3.669 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ccc3c(c2)CCC3)c(-c2ccncc2)n1 ZINC001320989834 1056047140 /nfs/dbraw/zinc/04/71/40/1056047140.db2.gz SWFIKBDNSZDVRJ-UHFFFAOYSA-N 1 0 387.487 3.516 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300581738 1056538550 /nfs/dbraw/zinc/53/85/50/1056538550.db2.gz YFUWYFOKCLFYAM-FQEVSTJZSA-N 1 0 381.568 3.519 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001300583696 1056546153 /nfs/dbraw/zinc/54/61/53/1056546153.db2.gz KCEDWRRXBPRKDP-NRFANRHFSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2F)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300616221 1056670893 /nfs/dbraw/zinc/67/08/93/1056670893.db2.gz DBAIOUPLZDHBMZ-SFHVURJKSA-N 1 0 383.515 3.808 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001300616476 1056672532 /nfs/dbraw/zinc/67/25/32/1056672532.db2.gz IDHKLYLUNGFOLK-FQEVSTJZSA-N 1 0 379.552 3.978 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300618260 1056681570 /nfs/dbraw/zinc/68/15/70/1056681570.db2.gz BZBBLRSKJKBZRY-WZONZLPQSA-N 1 0 394.567 3.619 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC[N@H+]1CC=CCC1 ZINC001300643045 1056755107 /nfs/dbraw/zinc/75/51/07/1056755107.db2.gz ODIMMFFWFUJLOH-LJQANCHMSA-N 1 0 395.526 3.832 20 30 GHEDRO COc1cc(C#N)ccc1OCCCc1nnc([C@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001322935395 1056892093 /nfs/dbraw/zinc/89/20/93/1056892093.db2.gz IKOFPQGILZPMGU-QGZVFWFLSA-N 1 0 398.507 3.797 20 30 GHEDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1O ZINC000848535266 1057156724 /nfs/dbraw/zinc/15/67/24/1057156724.db2.gz XXLZOJBVQOAPOC-GFCCVEGCSA-N 1 0 391.265 3.916 20 30 GHEDRO COc1cccc(N2CCC([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC001324704948 1057208255 /nfs/dbraw/zinc/20/82/55/1057208255.db2.gz XPLJAYNOBVUNAP-UHFFFAOYSA-N 1 0 390.531 3.794 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2coc(-c3ccccc3)n2)c(-c2ccncc2)n1 ZINC001324868328 1057238786 /nfs/dbraw/zinc/23/87/86/1057238786.db2.gz CCEWMMUBPNBGAN-UHFFFAOYSA-N 1 0 398.470 3.846 20 30 GHEDRO C[C@H]1CCc2ccccc2N1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001325000458 1057261011 /nfs/dbraw/zinc/26/10/11/1057261011.db2.gz CZTICXHPYFZBDD-SFHVURJKSA-N 1 0 385.515 3.890 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1csc(C#N)c1 ZINC001325104649 1057275744 /nfs/dbraw/zinc/27/57/44/1057275744.db2.gz RGVOLBFPKJXUNQ-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001355824694 1057286567 /nfs/dbraw/zinc/28/65/67/1057286567.db2.gz FTXKKPMKROPNPV-UHFFFAOYSA-N 1 0 395.642 3.889 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cnn(-c2ccccc2)c1C)[n+]1cccc(C)c1 ZINC001325842299 1057372663 /nfs/dbraw/zinc/37/26/63/1057372663.db2.gz ZLJRTDNKLGFLEQ-UHFFFAOYSA-O 1 0 391.520 3.763 20 30 GHEDRO CCCc1c(NC(=O)N2CC[NH+](C(C)(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC001326082587 1057410437 /nfs/dbraw/zinc/41/04/37/1057410437.db2.gz QJFHPMDCOVOOJI-UHFFFAOYSA-N 1 0 394.523 3.644 20 30 GHEDRO CN(C)C(=[NH+]C[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)N(C)C ZINC000849003323 1057510703 /nfs/dbraw/zinc/51/07/03/1057510703.db2.gz GGAMFGAYWTXZRD-OAHLLOKOSA-N 1 0 378.870 3.745 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SCC)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001356509914 1057532694 /nfs/dbraw/zinc/53/26/94/1057532694.db2.gz AHVAZLINMBIGML-OKYOBFRVSA-N 1 0 391.629 3.705 20 30 GHEDRO COc1ccc(-c2nnc(C[NH+]=C(Nc3ccccc3)N3CCCCC3)[nH]2)cc1 ZINC000849068631 1057579551 /nfs/dbraw/zinc/57/95/51/1057579551.db2.gz ZZRRLILHSBYIIQ-UHFFFAOYSA-N 1 0 390.491 3.934 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)[C@@H](CC#N)c2ccccc2)[NH+]2CCCC2)c1 ZINC001440368325 1058502698 /nfs/dbraw/zinc/50/26/98/1058502698.db2.gz FWPYYCZMFIDTEO-FCHUYYIVSA-N 1 0 377.488 3.646 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001338870543 1058845175 /nfs/dbraw/zinc/84/51/75/1058845175.db2.gz IHJGQBUBUBHJNZ-APWZRJJASA-N 1 0 398.555 3.827 20 30 GHEDRO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001339207676 1059012329 /nfs/dbraw/zinc/01/23/29/1059012329.db2.gz MYXGKSKVRJGZII-TYGFWLQKSA-N 1 0 392.551 3.782 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001339249937 1059040944 /nfs/dbraw/zinc/04/09/44/1059040944.db2.gz KWUMYZFAFNJLPL-VMXMFDLUSA-N 1 0 399.583 3.795 20 30 GHEDRO CCn1c(CCCCC#N)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001339313466 1059095498 /nfs/dbraw/zinc/09/54/98/1059095498.db2.gz XPXBVQXEAWGHMX-IBGZPJMESA-N 1 0 380.540 3.635 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)CC1 ZINC001443521976 1059142153 /nfs/dbraw/zinc/14/21/53/1059142153.db2.gz UDCWGBQGKIJUNP-HXUWFJFHSA-N 1 0 393.890 3.519 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3cccs3)nc3c2cnn3CC)CC1 ZINC001443526971 1059143163 /nfs/dbraw/zinc/14/31/63/1059143163.db2.gz CIYONJRYJMPMOQ-UHFFFAOYSA-N 1 0 395.532 3.560 20 30 GHEDRO C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001339474681 1059240274 /nfs/dbraw/zinc/24/02/74/1059240274.db2.gz DPMCYQWNFAJJLP-INIZCTEOSA-N 1 0 379.499 3.822 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(OCC#N)c2)[C@@H]1c1cccs1 ZINC001339615336 1059348897 /nfs/dbraw/zinc/34/88/97/1059348897.db2.gz ZUMFBAXQOSGOQT-FXAWDEMLSA-N 1 0 398.532 3.533 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001339775813 1059461439 /nfs/dbraw/zinc/46/14/39/1059461439.db2.gz ZVMLOKMDEFRVGL-JXFKEZNVSA-N 1 0 387.478 3.893 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)ccc1NC(=O)N(C)C)C(C)C ZINC001339781041 1059466596 /nfs/dbraw/zinc/46/65/96/1059466596.db2.gz XNGJZZBCXRPGRD-HXUWFJFHSA-N 1 0 386.540 3.517 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C)C1 ZINC001340009670 1059615423 /nfs/dbraw/zinc/61/54/23/1059615423.db2.gz LKQFQNZBGPCQKX-WTNAPCKOSA-N 1 0 396.514 3.577 20 30 GHEDRO C=CCn1c(-c2c(C)n[nH]c2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001340150455 1059728719 /nfs/dbraw/zinc/72/87/19/1059728719.db2.gz ZVLAJRGKYBKWPA-LJQANCHMSA-N 1 0 397.571 3.563 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001340207919 1059764999 /nfs/dbraw/zinc/76/49/99/1059764999.db2.gz VRBXBYWSEFAOHV-MSOLQXFVSA-N 1 0 397.571 3.504 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001340345123 1059874499 /nfs/dbraw/zinc/87/44/99/1059874499.db2.gz AFCKIBAOPBWDIF-AQNXPRMDSA-N 1 0 384.572 3.962 20 30 GHEDRO C=CCn1c([C@@H](CC)[C@@H](O)c2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001340414112 1059920076 /nfs/dbraw/zinc/92/00/76/1059920076.db2.gz FQLUDSWPQKYPPI-SFTDATJTSA-N 1 0 397.567 3.612 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(CC)(CC)C1 ZINC001340776668 1060116468 /nfs/dbraw/zinc/11/64/68/1060116468.db2.gz DVJXWABDYWUWHK-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(-c2ncc(CC)s2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001340777577 1060116645 /nfs/dbraw/zinc/11/66/45/1060116645.db2.gz NKARHXGCWQVPGI-UHFFFAOYSA-N 1 0 386.569 3.605 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001450060397 1060514866 /nfs/dbraw/zinc/51/48/66/1060514866.db2.gz FKHKMMQEVYWEHL-PKOBYXMFSA-N 1 0 393.572 3.569 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001450487907 1060603330 /nfs/dbraw/zinc/60/33/30/1060603330.db2.gz MSDZALJFEHWPTL-FQEVSTJZSA-N 1 0 388.870 3.671 20 30 GHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(F)(F)c1ccccc1C#N ZINC001450714199 1060665807 /nfs/dbraw/zinc/66/58/07/1060665807.db2.gz ZVGMXLGZLCKTBJ-YLJYHZDGSA-N 1 0 381.426 3.793 20 30 GHEDRO C=CCn1c(-c2c(C)n[nH]c2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001341969211 1060976381 /nfs/dbraw/zinc/97/63/81/1060976381.db2.gz RDAFZJVNIKILMV-QFBILLFUSA-N 1 0 397.571 3.562 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001341992624 1060986511 /nfs/dbraw/zinc/98/65/11/1060986511.db2.gz BTUOWCMQSKOMPJ-GDBMZVCRSA-N 1 0 385.478 3.831 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCN2C)nnc1N(C)Cc1nc2ccccc2s1 ZINC001342003774 1060991092 /nfs/dbraw/zinc/99/10/92/1060991092.db2.gz NJDXJXNZTQDYSH-MRXNPFEDSA-N 1 0 382.537 3.867 20 30 GHEDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001342187031 1061117104 /nfs/dbraw/zinc/11/71/04/1061117104.db2.gz JPWWLYDAEGDKFC-GRYCIOLGSA-N 1 0 384.295 3.599 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC(C)C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342216552 1061142325 /nfs/dbraw/zinc/14/23/25/1061142325.db2.gz GVSMYXLANZXSIP-IBGZPJMESA-N 1 0 389.588 3.779 20 30 GHEDRO C=C(C)Cn1c(-c2nc[nH]c2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001342217503 1061142488 /nfs/dbraw/zinc/14/24/88/1061142488.db2.gz FJBCSIYQLUIJOX-IBGZPJMESA-N 1 0 397.571 3.501 20 30 GHEDRO C=CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N(C)[C@H](C)CC#N ZINC001342234090 1061161527 /nfs/dbraw/zinc/16/15/27/1061161527.db2.gz ZLBUVBDWNSYWFF-GOSISDBHSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342249294 1061174522 /nfs/dbraw/zinc/17/45/22/1061174522.db2.gz ZTLINUWWXDQXRY-UXHICEINSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)Cn1c(CCCCC#N)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001346228487 1061464109 /nfs/dbraw/zinc/46/41/09/1061464109.db2.gz JKBBUOTZTREFOM-QUCCMNQESA-N 1 0 382.556 3.544 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc([C@H]3C[C@H]3C#N)n2CC2CC2)CC1 ZINC001346496359 1061612088 /nfs/dbraw/zinc/61/20/88/1061612088.db2.gz LTJOFYZSTFJMRZ-QMMLZNLJSA-N 1 0 396.583 3.796 20 30 GHEDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C[C@]2(C)C1 ZINC001454289360 1061700668 /nfs/dbraw/zinc/70/06/68/1061700668.db2.gz XADBIVISMCOKDR-ZEQRLZLVSA-N 1 0 389.499 3.551 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001346719110 1061821994 /nfs/dbraw/zinc/82/19/94/1061821994.db2.gz WGYSNANSHWIMCX-LJQANCHMSA-N 1 0 382.556 3.701 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CCOCC2)cc1 ZINC001454685172 1061908886 /nfs/dbraw/zinc/90/88/86/1061908886.db2.gz ZOQGLGSWKPZRIK-UHFFFAOYSA-N 1 0 398.466 3.554 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(c2nnc(N(C)[C@H](C)CC#N)n2CC(C)C)CC1 ZINC001347299047 1062280308 /nfs/dbraw/zinc/28/03/08/1062280308.db2.gz VZOSWRPLRRZPMF-GOSISDBHSA-N 1 0 395.555 3.760 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC001455950444 1062368373 /nfs/dbraw/zinc/36/83/73/1062368373.db2.gz YXXXSUXNGLEBPV-MSOLQXFVSA-N 1 0 381.545 3.784 20 30 GHEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001348110795 1062924108 /nfs/dbraw/zinc/92/41/08/1062924108.db2.gz OIXJQEZPQMSQLS-LBPRGKRZSA-N 1 0 375.104 3.730 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2OC)[NH+]2CCCCC2)cc1 ZINC001348279927 1062977479 /nfs/dbraw/zinc/97/74/79/1062977479.db2.gz DFBPXJBLYRHCHF-NRFANRHFSA-N 1 0 393.487 3.532 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NCCC(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC001348967316 1063454249 /nfs/dbraw/zinc/45/42/49/1063454249.db2.gz OPQXKIRUCGQZNK-UHFFFAOYSA-N 1 0 391.519 3.529 20 30 GHEDRO C=CCC1(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCCCC1 ZINC001349004526 1063490781 /nfs/dbraw/zinc/49/07/81/1063490781.db2.gz KUUNZVZSARSIHU-UHFFFAOYSA-N 1 0 399.579 3.850 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCC[N@@H+]1CCc2ccccc2C1 ZINC001458101543 1063566762 /nfs/dbraw/zinc/56/67/62/1063566762.db2.gz OOJGMUTWLBHQCR-UHFFFAOYSA-N 1 0 396.416 3.806 20 30 GHEDRO C[NH+](C)CCOc1ccc(CNc2nccc(Oc3cccc(C#N)c3)n2)cc1 ZINC001458105398 1063569435 /nfs/dbraw/zinc/56/94/35/1063569435.db2.gz LBBWDTPSVBBFOU-UHFFFAOYSA-N 1 0 389.459 3.693 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCCNc2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H](C)O1 ZINC001458263215 1063703039 /nfs/dbraw/zinc/70/30/39/1063703039.db2.gz PKQFZWNJAWYKCC-HDICACEKSA-N 1 0 395.551 3.785 20 30 GHEDRO C[C@@H](CSC(F)(F)F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001437243073 1063792639 /nfs/dbraw/zinc/79/26/39/1063792639.db2.gz KIWBDDGRTAVIQT-ZDUSSCGKSA-N 1 0 385.455 3.528 20 30 GHEDRO CC[N@H+](CCCNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C1CCCCC1 ZINC001437409883 1063849118 /nfs/dbraw/zinc/84/91/18/1063849118.db2.gz JKZNCBSGHUWRFK-UHFFFAOYSA-N 1 0 393.535 3.827 20 30 GHEDRO Cc1cccc(C)c1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC001459179395 1064015650 /nfs/dbraw/zinc/01/56/50/1064015650.db2.gz KIKKMOGIQPHEKZ-UHFFFAOYSA-N 1 0 383.495 3.943 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC001459390062 1064083313 /nfs/dbraw/zinc/08/33/13/1064083313.db2.gz FTCXDYWCZZGAMV-OALUTQOASA-N 1 0 394.515 3.754 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)C1=O ZINC001459396665 1064086006 /nfs/dbraw/zinc/08/60/06/1064086006.db2.gz SSWWCTQXTXSBII-XEYPJELSSA-N 1 0 384.520 3.829 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001439098441 1064174484 /nfs/dbraw/zinc/17/44/84/1064174484.db2.gz QCZQPHJZYUWBNS-UHFFFAOYSA-N 1 0 376.504 3.826 20 30 GHEDRO CC[C@H](C[N@H+](C)CCC(=O)N(C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC001459959730 1064303424 /nfs/dbraw/zinc/30/34/24/1064303424.db2.gz DZAVALJSBKIORF-CQSZACIVSA-N 1 0 386.323 3.845 20 30 GHEDRO C=CCn1c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)CC#N ZINC001351839669 1064635556 /nfs/dbraw/zinc/63/55/56/1064635556.db2.gz FDLDJIPXTSQSDL-HXUWFJFHSA-N 1 0 392.551 3.614 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C[C@H]1C(F)(F)F ZINC001351991800 1064750186 /nfs/dbraw/zinc/75/01/86/1064750186.db2.gz WTSQBZHAJMGXJG-USXIJHARSA-N 1 0 384.398 3.589 20 30 GHEDRO C#CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC001464017025 1064770664 /nfs/dbraw/zinc/77/06/64/1064770664.db2.gz HKTZSZZOVVQDFQ-UHFFFAOYSA-N 1 0 376.500 3.861 20 30 GHEDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc(C)c1C#N ZINC001464120958 1064835499 /nfs/dbraw/zinc/83/54/99/1064835499.db2.gz LRWJXGLVRAQOBP-RTBURBONSA-N 1 0 391.515 3.714 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(CNc2ncccc2C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC001464191182 1064899815 /nfs/dbraw/zinc/89/98/15/1064899815.db2.gz AKRRONKAEBSAGX-ROUUACIJSA-N 1 0 391.519 3.558 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 ZINC001464333022 1064959457 /nfs/dbraw/zinc/95/94/57/1064959457.db2.gz HUPWYXHOOGUZSN-UHFFFAOYSA-N 1 0 379.504 3.729 20 30 GHEDRO CCn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C#N ZINC001352356047 1064989932 /nfs/dbraw/zinc/98/99/32/1064989932.db2.gz MBDDTJHGSHRZOV-HKUYNNGSSA-N 1 0 380.540 3.588 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)CC1 ZINC001465078856 1065378302 /nfs/dbraw/zinc/37/83/02/1065378302.db2.gz VTADVGFQMLGQCS-UHFFFAOYSA-N 1 0 377.488 3.505 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001300276145 1065906883 /nfs/dbraw/zinc/90/68/83/1065906883.db2.gz HSSVMFWCONUNHO-CVEARBPZSA-N 1 0 383.927 3.541 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC001353430268 1065947848 /nfs/dbraw/zinc/94/78/48/1065947848.db2.gz PKEYIBYAEVLGNV-JOCHJYFZSA-N 1 0 376.504 3.927 20 30 GHEDRO COc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000847745963 1066019289 /nfs/dbraw/zinc/01/92/89/1066019289.db2.gz TYSWERJTFULKQQ-UHFFFAOYSA-N 1 0 394.471 3.667 20 30 GHEDRO C[C@H]1CCCC[C@@H]1OCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748535 1066028365 /nfs/dbraw/zinc/02/83/65/1066028365.db2.gz CABQYZDZRVFULQ-FPOVZHCZSA-N 1 0 384.520 3.931 20 30 GHEDRO CCCCCCCCCNC(=S)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001200378107 1066035437 /nfs/dbraw/zinc/03/54/37/1066035437.db2.gz YYLBWSWZZVTPSP-UHFFFAOYSA-N 1 0 378.586 3.837 20 30 GHEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001300348165 1066064594 /nfs/dbraw/zinc/06/45/94/1066064594.db2.gz IWWZQNAVDXHCSO-UHFFFAOYSA-N 1 0 391.563 3.843 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cc(C)c(C#N)cn2)[NH+]2CCCCC2)cc1 ZINC001467110774 1067074802 /nfs/dbraw/zinc/07/48/02/1067074802.db2.gz PENALJDVBKKVRJ-FQEVSTJZSA-N 1 0 393.491 3.619 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)c1 ZINC001467315037 1067221465 /nfs/dbraw/zinc/22/14/65/1067221465.db2.gz YWOGODMHMBYSCF-KRWDZBQOSA-N 1 0 384.446 3.952 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2C2CC2)[NH+](C)C)c1 ZINC001467445432 1067300985 /nfs/dbraw/zinc/30/09/85/1067300985.db2.gz LYDAIXUPUPRFPF-OAQYLSRUSA-N 1 0 378.476 3.869 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC001467727601 1067440003 /nfs/dbraw/zinc/44/00/03/1067440003.db2.gz MUPSUSWUWPBVDE-UHFFFAOYSA-N 1 0 397.548 3.585 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001358882753 1067594309 /nfs/dbraw/zinc/59/43/09/1067594309.db2.gz HBSBWXSIFMVXJC-QGZVFWFLSA-N 1 0 383.515 3.664 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358884318 1067595887 /nfs/dbraw/zinc/59/58/87/1067595887.db2.gz NKHBYOJXMHEAPR-SJLPKXTDSA-N 1 0 394.548 3.630 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358893339 1067599832 /nfs/dbraw/zinc/59/98/32/1067599832.db2.gz SDVNWQYPKWVHBM-FHWLQOOXSA-N 1 0 397.542 3.586 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001358896178 1067602487 /nfs/dbraw/zinc/60/24/87/1067602487.db2.gz ZAWDJRQHYVOPEV-IFMALSPDSA-N 1 0 393.579 3.786 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001358898432 1067604073 /nfs/dbraw/zinc/60/40/73/1067604073.db2.gz SDRVONWSCTUJMS-PMACEKPBSA-N 1 0 397.567 3.600 20 30 GHEDRO C#CCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001358931620 1067618000 /nfs/dbraw/zinc/61/80/00/1067618000.db2.gz HTINHZIOLCFSGZ-IBGZPJMESA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1CC[NH+](C2CC2)CC1 ZINC001358941159 1067622623 /nfs/dbraw/zinc/62/26/23/1067622623.db2.gz ZWMWDBYRPLBDBB-UHFFFAOYSA-N 1 0 383.927 3.542 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358951352 1067627657 /nfs/dbraw/zinc/62/76/57/1067627657.db2.gz SPXUFRCFEBGSEC-QGZVFWFLSA-N 1 0 385.581 3.510 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)[NH+](C)C ZINC001358988065 1067636582 /nfs/dbraw/zinc/63/65/82/1067636582.db2.gz BDOMQNQMCGIVPV-IBGZPJMESA-N 1 0 391.563 3.656 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359015045 1067654641 /nfs/dbraw/zinc/65/46/41/1067654641.db2.gz GBRSYQVNFNUMEX-QGZVFWFLSA-N 1 0 397.542 3.837 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001359068074 1067669133 /nfs/dbraw/zinc/66/91/33/1067669133.db2.gz MXOPROSYOYCXKB-HTAPYJJXSA-N 1 0 397.954 3.932 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC001468328268 1067687247 /nfs/dbraw/zinc/68/72/47/1067687247.db2.gz NZYLFOMOPAQCPQ-FGZHOGPDSA-N 1 0 376.475 3.919 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COCC)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359116603 1067695227 /nfs/dbraw/zinc/69/52/27/1067695227.db2.gz RIAWFDIVRUOHTD-GHTZIAJQSA-N 1 0 377.577 3.728 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001359116646 1067695249 /nfs/dbraw/zinc/69/52/49/1067695249.db2.gz STCIQVYMYNYMCP-GOSISDBHSA-N 1 0 375.561 3.797 20 30 GHEDRO C=C(C)COCCn1c(C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001359127240 1067699350 /nfs/dbraw/zinc/69/93/50/1067699350.db2.gz LYTFDPSAHSYFBC-UGKGYDQZSA-N 1 0 397.567 3.669 20 30 GHEDRO N#C[C@H]1CCCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001477788698 1078566610 /nfs/dbraw/zinc/56/66/10/1078566610.db2.gz PXJUREOUJRQIGR-JOCHJYFZSA-N 1 0 382.552 3.666 20 30 GHEDRO C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001359180886 1067742595 /nfs/dbraw/zinc/74/25/95/1067742595.db2.gz WRBLSPTWDDYZSR-JOCHJYFZSA-N 1 0 393.579 3.806 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001468546839 1067766409 /nfs/dbraw/zinc/76/64/09/1067766409.db2.gz ZAIMTCJGSRQAHG-UHFFFAOYSA-N 1 0 390.409 3.529 20 30 GHEDRO C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359203724 1067774331 /nfs/dbraw/zinc/77/43/31/1067774331.db2.gz URXWNVWIZSGBRR-LJQANCHMSA-N 1 0 375.561 3.797 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc(C)c1C#N ZINC001468581105 1067778980 /nfs/dbraw/zinc/77/89/80/1067778980.db2.gz XRIPQQXNJNPJKI-QFIPXVFZSA-N 1 0 379.504 3.995 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCC[C@H]1C ZINC001359235429 1067839845 /nfs/dbraw/zinc/83/98/45/1067839845.db2.gz ZJYOCOIKGJMSOI-CQSZACIVSA-N 1 0 377.895 3.844 20 30 GHEDRO C=CCN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001359241252 1067850811 /nfs/dbraw/zinc/85/08/11/1067850811.db2.gz KKJUPYQSCLAVQC-IBGZPJMESA-N 1 0 385.556 3.800 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359241794 1067851602 /nfs/dbraw/zinc/85/16/02/1067851602.db2.gz DEGBHCBDACQCOK-HXUWFJFHSA-N 1 0 381.568 3.920 20 30 GHEDRO C=CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC001359248784 1067893617 /nfs/dbraw/zinc/89/36/17/1067893617.db2.gz BTXHNVCBMOQCTP-KRWDZBQOSA-N 1 0 383.515 3.971 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[N@@H+](CCC)C1)C1CC1 ZINC001359248829 1067893857 /nfs/dbraw/zinc/89/38/57/1067893857.db2.gz DINBJLDRGARGSS-IBGZPJMESA-N 1 0 390.535 3.703 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CC[N@@H+](C)C(C)C ZINC001359254946 1067911236 /nfs/dbraw/zinc/91/12/36/1067911236.db2.gz JEYDZCRAJNRXCD-UHFFFAOYSA-N 1 0 380.540 3.806 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001468873277 1067915220 /nfs/dbraw/zinc/91/52/20/1067915220.db2.gz QATYYBIOQJKVOM-FQEVSTJZSA-N 1 0 382.533 3.988 20 30 GHEDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001468951102 1067936748 /nfs/dbraw/zinc/93/67/48/1067936748.db2.gz QYGQLSZYQAYWNG-UHFFFAOYSA-N 1 0 382.533 3.960 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCc1cccc(C#N)c1 ZINC001469089549 1067975477 /nfs/dbraw/zinc/97/54/77/1067975477.db2.gz FMEAJHRHPQVVFZ-AUSIDOKSSA-N 1 0 390.531 3.653 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359313716 1068027059 /nfs/dbraw/zinc/02/70/59/1068027059.db2.gz QKUVFVDMGWIGCR-HSALFYBXSA-N 1 0 389.588 3.837 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCC[N@H+]2CCC)C1 ZINC001359319805 1068031123 /nfs/dbraw/zinc/03/11/23/1068031123.db2.gz GFCOFXRYYGEFEZ-UXHICEINSA-N 1 0 387.572 3.591 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359473170 1068068989 /nfs/dbraw/zinc/06/89/89/1068068989.db2.gz YAYDIOPKXAAAKA-GOSISDBHSA-N 1 0 392.551 3.786 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001359476179 1068071648 /nfs/dbraw/zinc/07/16/48/1068071648.db2.gz YODJYFKXAGTESJ-VQIMIIECSA-N 1 0 398.580 3.543 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)cc1F ZINC001469322248 1068101984 /nfs/dbraw/zinc/10/19/84/1068101984.db2.gz COKCUKDXJRBXEW-RTWAWAEBSA-N 1 0 381.426 3.718 20 30 GHEDRO CC(C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359695284 1068138460 /nfs/dbraw/zinc/13/84/60/1068138460.db2.gz HBPYOHYTYLVVPI-SFHVURJKSA-N 1 0 386.569 3.896 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001360027403 1068321275 /nfs/dbraw/zinc/32/12/75/1068321275.db2.gz SAMATFIAIUBSLB-UHFFFAOYSA-N 1 0 383.536 3.719 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C2CCC1(C)CC2 ZINC001360106913 1068363000 /nfs/dbraw/zinc/36/30/00/1068363000.db2.gz VZMOAYRWURFRFB-UHFFFAOYSA-N 1 0 378.524 3.678 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001360544985 1068551698 /nfs/dbraw/zinc/55/16/98/1068551698.db2.gz UVJOPCXNBCBODD-FOIQADDNSA-N 1 0 386.931 3.679 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CC1 ZINC001470132874 1068588916 /nfs/dbraw/zinc/58/89/16/1068588916.db2.gz SPATZIPEIWCSBB-IBGZPJMESA-N 1 0 393.959 3.836 20 30 GHEDRO CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001360884848 1068673592 /nfs/dbraw/zinc/67/35/92/1068673592.db2.gz JELHCXRVPMBDKU-NRFANRHFSA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@@](CO)([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(Br)cc1 ZINC001460092604 1068778852 /nfs/dbraw/zinc/77/88/52/1068778852.db2.gz WEPLZONCVRVKCY-KRWDZBQOSA-N 1 0 379.685 3.971 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c1 ZINC001460160371 1068822314 /nfs/dbraw/zinc/82/23/14/1068822314.db2.gz IPZPQCUEUUXPLU-WWMYMODYSA-N 1 0 375.472 3.583 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC001460392000 1068951092 /nfs/dbraw/zinc/95/10/92/1068951092.db2.gz TZKQPILGKYXIMY-MRXNPFEDSA-N 1 0 385.508 3.719 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1C#N ZINC001460642243 1069050232 /nfs/dbraw/zinc/05/02/32/1069050232.db2.gz PZOZXJNQXYNJHA-HDICACEKSA-N 1 0 392.478 3.941 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 ZINC001460942872 1069287596 /nfs/dbraw/zinc/28/75/96/1069287596.db2.gz BGLWTWZMRFSLCU-IZCOPSDLSA-N 1 0 387.524 3.674 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@]34CCOC4)sc2C1 ZINC001460960705 1069299227 /nfs/dbraw/zinc/29/92/27/1069299227.db2.gz SLBTVLVYXKJZKK-VFNWGFHPSA-N 1 0 387.549 3.718 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001478744212 1078973508 /nfs/dbraw/zinc/97/35/08/1078973508.db2.gz GIUAJKACBJNVPU-LJQANCHMSA-N 1 0 390.531 3.968 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001479103185 1079104510 /nfs/dbraw/zinc/10/45/10/1079104510.db2.gz SIHHKDQNMUAZTJ-GHTZIAJQSA-N 1 0 390.531 3.861 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 ZINC001472674967 1073610803 /nfs/dbraw/zinc/61/08/03/1073610803.db2.gz OZOFVKZLNCWMFT-UHFFFAOYSA-N 1 0 380.448 3.799 20 30 GHEDRO C[C@@H]1CN(c2ncc(Br)cc2C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001472731883 1073640846 /nfs/dbraw/zinc/64/08/46/1073640846.db2.gz COAIXSJFZIKIIA-CABCVRRESA-N 1 0 385.309 3.815 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001479209621 1079154330 /nfs/dbraw/zinc/15/43/30/1079154330.db2.gz QIHXZUFQPOLGNJ-JMJGKCIBSA-N 1 0 379.548 3.875 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001473449078 1073968399 /nfs/dbraw/zinc/96/83/99/1073968399.db2.gz WJEMDDKOJGYDJD-DLBZAZTESA-N 1 0 375.538 3.620 20 30 GHEDRO CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)CC1 ZINC001473455770 1073973173 /nfs/dbraw/zinc/97/31/73/1073973173.db2.gz OZTZJKSJRMMSRL-HXUWFJFHSA-N 1 0 385.508 3.660 20 30 GHEDRO CN(CCC[N@H+](C)Cc1cc(Cl)ccc1OCC#N)C(=O)OC(C)(C)C ZINC001473553992 1074013228 /nfs/dbraw/zinc/01/32/28/1074013228.db2.gz VFPGTKNCOJKYEG-UHFFFAOYSA-N 1 0 381.904 3.931 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC001473581026 1074029026 /nfs/dbraw/zinc/02/90/26/1074029026.db2.gz FAWHSPIFOCGOII-INIZCTEOSA-N 1 0 378.438 3.932 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3cccc(C#N)c3F)cc2)C[C@H](C)O1 ZINC001473598608 1074040450 /nfs/dbraw/zinc/04/04/50/1074040450.db2.gz RAIFODKVJSLWEL-HDICACEKSA-N 1 0 381.495 3.939 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1 ZINC001473599337 1074040614 /nfs/dbraw/zinc/04/06/14/1074040614.db2.gz KPHJSLNKRCTOPM-FPOVZHCZSA-N 1 0 384.568 3.601 20 30 GHEDRO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001473620648 1074052347 /nfs/dbraw/zinc/05/23/47/1074052347.db2.gz OGPKXAITQBCFGG-QHCPKHFHSA-N 1 0 385.467 3.976 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC001473679424 1074081458 /nfs/dbraw/zinc/08/14/58/1074081458.db2.gz QYPZQMOEPKDPPE-OFNKIYASSA-N 1 0 390.531 3.841 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)cc1Cl ZINC001473701191 1074095029 /nfs/dbraw/zinc/09/50/29/1074095029.db2.gz CYZAQGXEYFYKKY-FPOVZHCZSA-N 1 0 383.879 3.738 20 30 GHEDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCc1cccc(C#N)c1 ZINC001473731833 1074113827 /nfs/dbraw/zinc/11/38/27/1074113827.db2.gz IBOWYOISXRVOQY-CYBMUJFWSA-N 1 0 386.839 3.621 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1C ZINC001473781232 1074138802 /nfs/dbraw/zinc/13/88/02/1074138802.db2.gz SZISSQYPVOOCDB-ZWKOTPCHSA-N 1 0 395.503 3.998 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CCN(CC)C(=O)OC(C)(C)C)ccc1OC ZINC001473972139 1074221809 /nfs/dbraw/zinc/22/18/09/1074221809.db2.gz FZCFTGMDLMUSEX-UHFFFAOYSA-N 1 0 378.513 3.997 20 30 GHEDRO C=CCOc1c(Br)cc(CNC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001474184452 1074286235 /nfs/dbraw/zinc/28/62/35/1074286235.db2.gz DKOPXRPIBBNOIE-UHFFFAOYSA-N 1 0 397.357 3.987 20 30 GHEDRO C[C@@H]1C[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001493344455 1079261771 /nfs/dbraw/zinc/26/17/71/1079261771.db2.gz WMGGHQDZZFXCRR-XLIONFOSSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001493906340 1079306948 /nfs/dbraw/zinc/30/69/48/1079306948.db2.gz CQQSQTIFQSMJEU-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001495336001 1079401748 /nfs/dbraw/zinc/40/17/48/1079401748.db2.gz FALBRTPLEWJGPO-OXQOHEQNSA-N 1 0 398.530 3.974 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001495451227 1079409193 /nfs/dbraw/zinc/40/91/93/1079409193.db2.gz AFEIPMFKXQHREK-WAOWUJCRSA-N 1 0 390.551 3.602 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001496339251 1079465064 /nfs/dbraw/zinc/46/50/64/1079465064.db2.gz FLYAERKPMUZNST-WMQCIHAUSA-N 1 0 394.567 3.756 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1CC[NH+]1CCCC1)c1ccccc1 ZINC001496341293 1079465572 /nfs/dbraw/zinc/46/55/72/1079465572.db2.gz JXXPFLFREZPGNL-UYAOXDASSA-N 1 0 380.540 3.512 20 30 GHEDRO CC[C@@H](Cn1c(C)nnc1N1CCC(C)(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001497178898 1079485211 /nfs/dbraw/zinc/48/52/11/1079485211.db2.gz CLAFFOCYUNFZEH-NRFANRHFSA-N 1 0 392.551 3.554 20 30 GHEDRO CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCC1 ZINC001500041508 1079572438 /nfs/dbraw/zinc/57/24/38/1079572438.db2.gz ZXFDRZGTMBTDAD-SFHVURJKSA-N 1 0 380.540 3.927 20 30 GHEDRO CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001500833777 1079617103 /nfs/dbraw/zinc/61/71/03/1079617103.db2.gz BYWNXQHOPJBDPE-IBGZPJMESA-N 1 0 392.551 3.927 20 30 GHEDRO N#Cc1cccc(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)c1 ZINC000737730628 598466062 /nfs/dbraw/zinc/46/60/62/598466062.db2.gz OEZTUSBZOIMIPV-UHFFFAOYSA-N 1 0 396.454 3.607 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736756861 600594561 /nfs/dbraw/zinc/59/45/61/600594561.db2.gz WWJJWRXTKHWXSI-IXFSTUDKSA-N 1 0 391.515 3.952 20 30 GHEDRO N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000833073545 601324473 /nfs/dbraw/zinc/32/44/73/601324473.db2.gz DNNBCFPFIUTDNR-VWNXMTODSA-N 1 0 389.499 3.672 20 30 GHEDRO C[C@@H]1C[C@@H](CC[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000833594985 605165716 /nfs/dbraw/zinc/16/57/16/605165716.db2.gz HQKNFEIDCPOZNW-ZNLUXHQJSA-N 1 0 377.488 3.574 20 30 GHEDRO N#Cc1csc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)c1 ZINC000822846330 606221442 /nfs/dbraw/zinc/22/14/42/606221442.db2.gz XDDBRZCLFVGYES-UHFFFAOYSA-N 1 0 378.486 3.818 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000823883585 608286082 /nfs/dbraw/zinc/28/60/82/608286082.db2.gz UWHDQUQQCCTHMJ-CQSZACIVSA-N 1 0 399.882 3.857 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000824293822 608532463 /nfs/dbraw/zinc/53/24/63/608532463.db2.gz YRCLIIATAJLHGB-UHFFFAOYSA-N 1 0 389.507 3.627 20 30 GHEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1cccc(C)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914389 608632146 /nfs/dbraw/zinc/63/21/46/608632146.db2.gz HYDXCUGAVLAGKD-UHFFFAOYSA-N 1 0 385.475 3.753 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@H]43)cc2c1Cl ZINC001164410450 718877881 /nfs/dbraw/zinc/87/78/81/718877881.db2.gz BNEDTRKAXHBWCQ-UONOGXRCSA-N 1 0 383.229 3.899 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621711 719044367 /nfs/dbraw/zinc/04/43/67/719044367.db2.gz JOHSOZMGJZGMHQ-PKOBYXMFSA-N 1 0 388.849 3.735 20 30 GHEDRO Cc1cc(C#N)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836420 720722923 /nfs/dbraw/zinc/72/29/23/720722923.db2.gz AFNHQCCUZUWXKE-OAQYLSRUSA-N 1 0 376.504 3.522 20 30 GHEDRO N#Cc1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164905787 721527528 /nfs/dbraw/zinc/52/75/28/721527528.db2.gz IEOJMLQTLIKIOP-PZJWPPBQSA-N 1 0 388.446 3.587 20 30 GHEDRO N#Cc1ccc2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164952455 722016487 /nfs/dbraw/zinc/01/64/87/722016487.db2.gz LAGOSIPBCPCCAW-UHFFFAOYSA-N 1 0 383.499 3.994 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472602520 837481581 /nfs/dbraw/zinc/48/15/81/837481581.db2.gz VPSHVSCEKYSTNZ-HSZRJFAPSA-N 1 0 378.472 3.916 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC)cc3C(F)(F)F)C2)C1=O ZINC001143475540 837486482 /nfs/dbraw/zinc/48/64/82/837486482.db2.gz IINXYENXZQMYEU-IBGZPJMESA-N 1 0 382.426 3.715 20 30 GHEDRO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1OC ZINC000581420110 837514204 /nfs/dbraw/zinc/51/42/04/837514204.db2.gz UURBYILNLSEGKQ-OAHLLOKOSA-N 1 0 379.464 3.639 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814392 837575680 /nfs/dbraw/zinc/57/56/80/837575680.db2.gz XVHNDMAPPBDCDJ-MAUKXSAKSA-N 1 0 382.460 3.998 20 30 GHEDRO COc1ccc(OCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180123223 837679358 /nfs/dbraw/zinc/67/93/58/837679358.db2.gz XZZSNNDEIFKLFD-UHFFFAOYSA-N 1 0 376.460 3.526 20 30 GHEDRO C=C(CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000510032081 834408133 /nfs/dbraw/zinc/40/81/33/834408133.db2.gz DMXXLBYVSSABDF-SFHVURJKSA-N 1 0 391.515 3.687 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245496272 834622405 /nfs/dbraw/zinc/62/24/05/834622405.db2.gz RCDIDPHYIBBPOL-QRVBRYPASA-N 1 0 375.582 3.598 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(Cl)c2)c(OC)c1 ZINC000301314357 834623205 /nfs/dbraw/zinc/62/32/05/834623205.db2.gz JDAGHSZHESUANW-LJQANCHMSA-N 1 0 375.896 3.949 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000278311155 834627407 /nfs/dbraw/zinc/62/74/07/834627407.db2.gz FGHZMLYJVNFKPN-VQIMIIECSA-N 1 0 392.425 3.599 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278347226 834762988 /nfs/dbraw/zinc/76/29/88/834762988.db2.gz YLJVWBUOAUPUJP-QHCPKHFHSA-N 1 0 379.504 3.510 20 30 GHEDRO C=C(C)C(=O)NCCCNc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001167670878 834859953 /nfs/dbraw/zinc/85/99/53/834859953.db2.gz JUIQWDFKKXPLLP-NRFANRHFSA-N 1 0 380.536 3.660 20 30 GHEDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000543839353 834894366 /nfs/dbraw/zinc/89/43/66/834894366.db2.gz LWCUJIOBCWSQRL-BEFAXECRSA-N 1 0 383.517 3.509 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000187118469 835017065 /nfs/dbraw/zinc/01/70/65/835017065.db2.gz YKLMAIINWQFRKC-SFHVURJKSA-N 1 0 390.409 3.679 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510088369 835084042 /nfs/dbraw/zinc/08/40/42/835084042.db2.gz PZDQRULKHABGHH-XQBPLPMBSA-N 1 0 391.515 3.742 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)C12CCCCC2 ZINC000610216771 835193752 /nfs/dbraw/zinc/19/37/52/835193752.db2.gz RUJXTNOITFKHDM-KSEOMHKRSA-N 1 0 386.536 3.552 20 30 GHEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC000329532978 835204103 /nfs/dbraw/zinc/20/41/03/835204103.db2.gz XPMUSCSQPODDBI-FQEVSTJZSA-N 1 0 396.466 3.857 20 30 GHEDRO CC1(C)CCCc2sc(NC(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)nc21 ZINC000329545301 835216886 /nfs/dbraw/zinc/21/68/86/835216886.db2.gz ZJFPVGARBRFSTJ-AWEZNQCLSA-N 1 0 392.569 3.584 20 30 GHEDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000375783448 835272580 /nfs/dbraw/zinc/27/25/80/835272580.db2.gz DJJISPDNDSFXTG-MRXNPFEDSA-N 1 0 385.489 3.500 20 30 GHEDRO C=C[C@H](CC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000536166481 835280368 /nfs/dbraw/zinc/28/03/68/835280368.db2.gz SDVKSJYYXRBVPT-QPPBQGQZSA-N 1 0 391.559 3.841 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cscc3C(F)F)CC2)c1 ZINC000892417603 835333106 /nfs/dbraw/zinc/33/31/06/835333106.db2.gz KHOKEKATBUIARU-UHFFFAOYSA-N 1 0 375.444 3.952 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc1 ZINC000176986628 835432507 /nfs/dbraw/zinc/43/25/07/835432507.db2.gz HMYYMOIVAPMWKW-UHFFFAOYSA-N 1 0 382.474 3.790 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000648202996 835447371 /nfs/dbraw/zinc/44/73/71/835447371.db2.gz JWNFWXTWBSOWSM-JOCHJYFZSA-N 1 0 378.516 3.822 20 30 GHEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000254972701 835466955 /nfs/dbraw/zinc/46/69/55/835466955.db2.gz URKBFPRABHOFMC-LSJZCYCUSA-N 1 0 391.471 3.539 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CCC[N@@H+](C(C)(C)C)CC2)c1=S ZINC000748082299 835501980 /nfs/dbraw/zinc/50/19/80/835501980.db2.gz HOUPGGCPHCCQKK-UHFFFAOYSA-N 1 0 375.542 3.624 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CCc3cccnc3OC(C)C)C2)C1 ZINC001208789502 835527526 /nfs/dbraw/zinc/52/75/26/835527526.db2.gz ZDQQRZCVFSTMCL-JOCHJYFZSA-N 1 0 387.524 3.522 20 30 GHEDRO COc1cccc(C2([NH2+]CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)c1 ZINC000510125014 835551580 /nfs/dbraw/zinc/55/15/80/835551580.db2.gz VIQNUDCRMBLWRK-UHFFFAOYSA-N 1 0 383.879 3.874 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000151628361 835666018 /nfs/dbraw/zinc/66/60/18/835666018.db2.gz LIAQNYARJIDTER-UHFFFAOYSA-N 1 0 387.709 3.802 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278641991 835677026 /nfs/dbraw/zinc/67/70/26/835677026.db2.gz DJOANWVMTWKYRI-MRXNPFEDSA-N 1 0 393.491 3.922 20 30 GHEDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1[N+](=O)[O-] ZINC000278658179 835717933 /nfs/dbraw/zinc/71/79/33/835717933.db2.gz MYRMZFFKLFBXQG-MRXNPFEDSA-N 1 0 390.447 3.926 20 30 GHEDRO CC(C)[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)[NH+]1CCCCCC1 ZINC000278699617 835825969 /nfs/dbraw/zinc/82/59/69/835825969.db2.gz QRRIGKJPBHXCSR-QFIPXVFZSA-N 1 0 394.567 3.849 20 30 GHEDRO CC[NH+](CC)CC1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000728927932 844098564 /nfs/dbraw/zinc/09/85/64/844098564.db2.gz IFRGJPVKNZEERU-KRWDZBQOSA-N 1 0 384.549 3.526 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000102783245 835945181 /nfs/dbraw/zinc/94/51/81/835945181.db2.gz OXEKWIPPSVBEHH-QGZVFWFLSA-N 1 0 381.476 3.725 20 30 GHEDRO COc1ccccc1COC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000179749198 835964569 /nfs/dbraw/zinc/96/45/69/835964569.db2.gz MXPVKROFPMXJSY-UHFFFAOYSA-N 1 0 399.516 3.638 20 30 GHEDRO COc1ccccc1COC1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000179748682 835964929 /nfs/dbraw/zinc/96/49/29/835964929.db2.gz SIPQXCNSJFQDPF-UHFFFAOYSA-N 1 0 396.487 3.635 20 30 GHEDRO Cc1ccccc1NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000015245782 836023437 /nfs/dbraw/zinc/02/34/37/836023437.db2.gz JKSWEOUMQJFRCD-UHFFFAOYSA-O 1 0 377.489 3.826 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCN(CC(F)(F)F)CC1 ZINC000549688159 844119371 /nfs/dbraw/zinc/11/93/71/844119371.db2.gz ODFNRURWPWAWER-LBPRGKRZSA-N 1 0 391.384 3.912 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612295237 836090669 /nfs/dbraw/zinc/09/06/69/836090669.db2.gz UHHDEEHXOPFZLN-HXUWFJFHSA-N 1 0 389.931 3.639 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000642706443 836251363 /nfs/dbraw/zinc/25/13/63/836251363.db2.gz NZHJOBSAFWBEHN-PZJWPPBQSA-N 1 0 381.568 3.806 20 30 GHEDRO C[C@@H]1CCc2sc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2C1 ZINC000065931040 836252331 /nfs/dbraw/zinc/25/23/31/836252331.db2.gz REWWNTPENCISRT-MRXNPFEDSA-N 1 0 381.545 3.949 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@]3(CCSC3)C1)CCC2 ZINC000582342136 836281804 /nfs/dbraw/zinc/28/18/04/836281804.db2.gz ZHVDVNYUGWUCER-IBGZPJMESA-N 1 0 375.563 3.656 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3nc(C(C)(C)C)ccc3C#N)CC2)cc1 ZINC000613410326 836315126 /nfs/dbraw/zinc/31/51/26/836315126.db2.gz FRLZUMXSIQOCRA-UHFFFAOYSA-N 1 0 378.520 3.972 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000471969264 844152658 /nfs/dbraw/zinc/15/26/58/844152658.db2.gz RNRRUDOMWSPUES-XZOQPEGZSA-N 1 0 386.499 3.502 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)ccc1Cl ZINC000612540295 836379346 /nfs/dbraw/zinc/37/93/46/836379346.db2.gz KASZENTXWOPWIH-QGZVFWFLSA-N 1 0 389.927 3.786 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(N4CCOC4=O)c3)CC2)cc1 ZINC000179934692 836406748 /nfs/dbraw/zinc/40/67/48/836406748.db2.gz RGQFFRKLXIQRSA-UHFFFAOYSA-N 1 0 376.460 3.591 20 30 GHEDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000414178865 836407101 /nfs/dbraw/zinc/40/71/01/836407101.db2.gz JUNVXMJTUGKRPX-LXIYXOSZSA-N 1 0 375.538 3.619 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000065988912 836437904 /nfs/dbraw/zinc/43/79/04/836437904.db2.gz LQOKLIVFIFYNFJ-UHFFFAOYSA-N 1 0 377.532 3.875 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000413827756 836451254 /nfs/dbraw/zinc/45/12/54/836451254.db2.gz SUCOVNNYOXTVGR-ZRCGQRJVSA-N 1 0 399.579 3.705 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)c[nH]1 ZINC000175422361 836489978 /nfs/dbraw/zinc/48/99/78/836489978.db2.gz RLECCUUYRPJXAW-UHFFFAOYSA-N 1 0 379.291 3.787 20 30 GHEDRO CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000118805886 836509712 /nfs/dbraw/zinc/50/97/12/836509712.db2.gz DTNARLHSMBHEMD-UHFFFAOYSA-N 1 0 392.503 3.891 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000175444742 836510761 /nfs/dbraw/zinc/51/07/61/836510761.db2.gz QGDUSCFCIMFGMZ-KRWDZBQOSA-N 1 0 378.398 3.718 20 30 GHEDRO Cc1ccc(-c2nnc([C@@H](C)O[NH+]=Cc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000748097481 836526116 /nfs/dbraw/zinc/52/61/16/836526116.db2.gz MHEJZSGNBJPTQW-QGZVFWFLSA-N 1 0 392.459 3.993 20 30 GHEDRO N#CCCN(C(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000109764492 836550793 /nfs/dbraw/zinc/55/07/93/836550793.db2.gz HGQKYPPSBWEHKZ-UHFFFAOYSA-N 1 0 387.487 3.689 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000414212644 836577460 /nfs/dbraw/zinc/57/74/60/836577460.db2.gz RFUJCYYXFBWGKR-GFCCVEGCSA-N 1 0 380.872 3.995 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549036075 836598892 /nfs/dbraw/zinc/59/88/92/836598892.db2.gz NMHCVJLDJHUUQA-FQEVSTJZSA-N 1 0 392.551 3.785 20 30 GHEDRO CO[C@@H](C)c1nc(CON=C(N)c2ccccc2C[NH+]2CCCCC2)cs1 ZINC000177571564 836798860 /nfs/dbraw/zinc/79/88/60/836798860.db2.gz XYESNBJAAGQVAE-HNNXBMFYSA-N 1 0 388.537 3.674 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C)C1 ZINC000610782392 844207666 /nfs/dbraw/zinc/20/76/66/844207666.db2.gz FBEYXBGJYLDAPT-OXJNMPFZSA-N 1 0 393.491 3.940 20 30 GHEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000175589294 836902233 /nfs/dbraw/zinc/90/22/33/836902233.db2.gz CHWXIAWZHHQUFZ-CQSZACIVSA-N 1 0 375.925 3.967 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1cccc(CO)c1 ZINC000027317583 837042790 /nfs/dbraw/zinc/04/27/90/837042790.db2.gz WIDZSCLLOIIEOQ-UHFFFAOYSA-O 1 0 385.553 3.638 20 30 GHEDRO O=C(c1cccc([N+](=O)[O-])c1)C(C(=S)NC1CCCCC1)[n+]1ccccc1 ZINC000027460847 837052371 /nfs/dbraw/zinc/05/23/71/837052371.db2.gz FXQVNFUGNIMRCV-UHFFFAOYSA-O 1 0 384.481 3.743 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000188623840 837193838 /nfs/dbraw/zinc/19/38/38/837193838.db2.gz FOOOEFLGVLYVTP-ICSRJNTNSA-N 1 0 395.469 3.596 20 30 GHEDRO CC(C)[C@H](CC[N@H+](C)Cc1cnc2ccc(C#N)cn12)NC(=O)OC(C)(C)C ZINC000180470447 837274206 /nfs/dbraw/zinc/27/42/06/837274206.db2.gz ALJJQQIQRIHXGY-SFHVURJKSA-N 1 0 385.512 3.577 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659031930 837312455 /nfs/dbraw/zinc/31/24/55/837312455.db2.gz PUGNLTNOPXDPAK-NRFANRHFSA-N 1 0 381.476 3.576 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000471352304 837342323 /nfs/dbraw/zinc/34/23/23/837342323.db2.gz TZVVNKONTRSMJB-UHFFFAOYSA-N 1 0 390.531 3.753 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000511442362 837345335 /nfs/dbraw/zinc/34/53/35/837345335.db2.gz SVIUFEKBOPUXNB-HXUWFJFHSA-N 1 0 379.907 3.961 20 30 GHEDRO COc1ccccc1-c1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000180588125 837371862 /nfs/dbraw/zinc/37/18/62/837371862.db2.gz UBYDLLFEJNIAPC-GOSISDBHSA-N 1 0 399.498 3.735 20 30 GHEDRO COc1cccc([C@@H](C)CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000177574326 837978106 /nfs/dbraw/zinc/97/81/06/837978106.db2.gz KCZYXGANENDCME-IBGZPJMESA-N 1 0 391.515 3.795 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000046265808 838080772 /nfs/dbraw/zinc/08/07/72/838080772.db2.gz ZHKVVIDGYPNBKS-JOCHJYFZSA-N 1 0 378.520 3.653 20 30 GHEDRO C[C@@H](CCNC(=O)CSCc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000471456886 838221471 /nfs/dbraw/zinc/22/14/71/838221471.db2.gz BHBNNRISAYAQJK-SFHVURJKSA-N 1 0 381.545 3.818 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccnn2C)c1 ZINC000549383955 838226405 /nfs/dbraw/zinc/22/64/05/838226405.db2.gz HUGKORMDLBXVPQ-UHFFFAOYSA-N 1 0 399.542 3.975 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541075360 838290590 /nfs/dbraw/zinc/29/05/90/838290590.db2.gz RTXMBDUOSLDZQA-UZUQRXQVSA-N 1 0 399.498 3.805 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178258569 838310669 /nfs/dbraw/zinc/31/06/69/838310669.db2.gz YCLPUXVIGYCPRK-KDURUIRLSA-N 1 0 386.536 3.603 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000378062985 838355724 /nfs/dbraw/zinc/35/57/24/838355724.db2.gz VOTLJOXYNFDUMM-JTSKRJEESA-N 1 0 377.488 3.588 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535698889 844322134 /nfs/dbraw/zinc/32/21/34/844322134.db2.gz HJMSAGQKHHDZTR-UHFFFAOYSA-N 1 0 387.527 3.736 20 30 GHEDRO N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000416015050 838404492 /nfs/dbraw/zinc/40/44/92/838404492.db2.gz QDTHBQCTZWXOCR-IBGZPJMESA-N 1 0 381.426 3.605 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000610335298 838527564 /nfs/dbraw/zinc/52/75/64/838527564.db2.gz SEJNFZZYWFAXFH-VGOFRKELSA-N 1 0 392.503 3.764 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CCCCC1 ZINC000175855379 838540443 /nfs/dbraw/zinc/54/04/43/838540443.db2.gz KIFDNBIXQUZCRF-ROUUACIJSA-N 1 0 389.565 3.759 20 30 GHEDRO CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(C)(C)C[NH+]1CCCC1 ZINC000416103054 838554610 /nfs/dbraw/zinc/55/46/10/838554610.db2.gz HRCXZYUOWFYLDR-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549113732 838562718 /nfs/dbraw/zinc/56/27/18/838562718.db2.gz QNQWLXKOUAJRBT-WIYYLYMNSA-N 1 0 389.421 3.909 20 30 GHEDRO C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000610349772 838605643 /nfs/dbraw/zinc/60/56/43/838605643.db2.gz ZHEYCTMPRGXQDU-INIZCTEOSA-N 1 0 382.533 3.892 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1ccc(F)cc1C#N ZINC000181517258 838667369 /nfs/dbraw/zinc/66/73/69/838667369.db2.gz DLVIHRXEWABTCJ-UHFFFAOYSA-N 1 0 378.245 3.802 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cc1 ZINC000560953381 838875523 /nfs/dbraw/zinc/87/55/23/838875523.db2.gz WXWUFLILSGOPKV-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)o2)c1 ZINC000580106703 838879195 /nfs/dbraw/zinc/87/91/95/838879195.db2.gz FCIIPGKGXVETTJ-NJYVYQBISA-N 1 0 386.455 3.613 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000580105912 838880072 /nfs/dbraw/zinc/88/00/72/838880072.db2.gz ZMZZMPJJTOSUCH-YTQUADARSA-N 1 0 383.517 3.889 20 30 GHEDRO CON=Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000255418056 844396342 /nfs/dbraw/zinc/39/63/42/844396342.db2.gz ZTZOKXMHYVLKEB-AVRDEDQJSA-N 1 0 379.504 3.792 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C#N)c(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000134165671 839094152 /nfs/dbraw/zinc/09/41/52/839094152.db2.gz OBPFAUPTVUFGQO-NHCUHLMSSA-N 1 0 395.890 3.928 20 30 GHEDRO COc1ccccc1[C@@H](C)N(C)C(=O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000541392222 839105181 /nfs/dbraw/zinc/10/51/81/839105181.db2.gz FJHNWGQTHKEORM-QGZVFWFLSA-N 1 0 377.488 3.751 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]C3(c4ccc(Br)cc4)CCC3)cnc12 ZINC000549170961 839142039 /nfs/dbraw/zinc/14/20/39/839142039.db2.gz RATWEOOJYDECIK-UHFFFAOYSA-N 1 0 382.265 3.532 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000549172193 839159724 /nfs/dbraw/zinc/15/97/24/839159724.db2.gz WHRTXLZZVATKBX-UHFFFAOYSA-N 1 0 384.483 3.920 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)c1 ZINC000415156883 839298112 /nfs/dbraw/zinc/29/81/12/839298112.db2.gz HANPNMFZNPWAFH-NDXORKPFSA-N 1 0 376.460 3.942 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549238164 839448812 /nfs/dbraw/zinc/44/88/12/839448812.db2.gz IWRYNOHTAXXHRZ-NRFANRHFSA-N 1 0 392.503 3.989 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)C1 ZINC000549860513 844460325 /nfs/dbraw/zinc/46/03/25/844460325.db2.gz MSGXLDXWHSAFAE-GOEBONIOSA-N 1 0 397.416 3.987 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000549287851 839828465 /nfs/dbraw/zinc/82/84/65/839828465.db2.gz ONBONNWSUXAVCG-FHWLQOOXSA-N 1 0 389.588 3.549 20 30 GHEDRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000415562046 839980335 /nfs/dbraw/zinc/98/03/35/839980335.db2.gz NWYKYROLSCMLFH-HNNXBMFYSA-N 1 0 391.475 3.933 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000048142793 840298201 /nfs/dbraw/zinc/29/82/01/840298201.db2.gz VSOZMIHJDLOTBS-UHFFFAOYSA-N 1 0 381.545 3.950 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC001167741154 840405641 /nfs/dbraw/zinc/40/56/41/840405641.db2.gz PNKGBTCRXYCHKD-CQSZACIVSA-N 1 0 376.407 3.754 20 30 GHEDRO CCOC(=O)c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160689359 840415419 /nfs/dbraw/zinc/41/54/19/840415419.db2.gz XRFYQHMVUJPYLC-UHFFFAOYSA-N 1 0 381.354 3.689 20 30 GHEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000573445432 844543970 /nfs/dbraw/zinc/54/39/70/844543970.db2.gz VVRYHSGGHBJFBE-KRWDZBQOSA-N 1 0 396.292 3.777 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(c3ccc4cc(C#N)ccc4n3)CC2)C[C@H](C)O1 ZINC000092920032 840493472 /nfs/dbraw/zinc/49/34/72/840493472.db2.gz NBFBMWRHUBPRRN-ROUUACIJSA-N 1 0 378.520 3.822 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccc1S(C)(=O)=O ZINC000417360021 840766287 /nfs/dbraw/zinc/76/62/87/840766287.db2.gz HFBCZDJQBFCDCY-AUUYWEPGSA-N 1 0 384.501 3.699 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000125047556 841212502 /nfs/dbraw/zinc/21/25/02/841212502.db2.gz ULGLSKPPIZFOHU-SFHVURJKSA-N 1 0 391.519 3.528 20 30 GHEDRO N#CCSc1cccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000364168848 841274600 /nfs/dbraw/zinc/27/46/00/841274600.db2.gz RWTMXJDFDRTNQE-LJQANCHMSA-N 1 0 379.529 3.597 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cc(OC)c1 ZINC000135207703 841371795 /nfs/dbraw/zinc/37/17/95/841371795.db2.gz WKJWXWLIOYSQCL-UHFFFAOYSA-N 1 0 381.476 3.661 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000661119737 841415836 /nfs/dbraw/zinc/41/58/36/841415836.db2.gz XKTDCTHXWCCFGA-GHTZIAJQSA-N 1 0 383.536 3.588 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000613783923 841681621 /nfs/dbraw/zinc/68/16/21/841681621.db2.gz AEDKZFIYTRHQKK-QGZVFWFLSA-N 1 0 377.492 3.583 20 30 GHEDRO C=CC[C@H]1CCC[N@H+](CC(=O)NCc2cccc(COCc3ccco3)c2)C1 ZINC000661381043 841691118 /nfs/dbraw/zinc/69/11/18/841691118.db2.gz UIHKZTZQYIVGOS-IBGZPJMESA-N 1 0 382.504 3.901 20 30 GHEDRO CC[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000329277950 861234253 /nfs/dbraw/zinc/23/42/53/861234253.db2.gz KZJKWIHWHDTRAI-NHCUHLMSSA-N 1 0 381.524 3.688 20 30 GHEDRO C[C@H]1Oc2ccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2NC1=O ZINC000329289230 861247687 /nfs/dbraw/zinc/24/76/87/861247687.db2.gz MXRZFFMQZXCWMV-IUODEOHRSA-N 1 0 375.494 3.861 20 30 GHEDRO Fc1ccc(-c2cnc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000255363298 842029368 /nfs/dbraw/zinc/02/93/68/842029368.db2.gz NHIZBYICUXKBKG-UHFFFAOYSA-N 1 0 381.407 3.868 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661782261 842170757 /nfs/dbraw/zinc/17/07/57/842170757.db2.gz WEGFWTVSONVBDE-ZWKOTPCHSA-N 1 0 384.549 3.638 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000581774817 842203442 /nfs/dbraw/zinc/20/34/42/842203442.db2.gz STBWSSLCPSLGSX-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000730795291 861287863 /nfs/dbraw/zinc/28/78/63/861287863.db2.gz XUAWPNFKKYIGHE-OAQYLSRUSA-N 1 0 376.504 3.666 20 30 GHEDRO C[C@H](CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C[NH+]1CCCC1 ZINC000538069718 842258753 /nfs/dbraw/zinc/25/87/53/842258753.db2.gz UZHDQUFANMGISZ-GOSISDBHSA-N 1 0 376.504 3.756 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCOC2)c1C#N ZINC000541648172 842318933 /nfs/dbraw/zinc/31/89/33/842318933.db2.gz BJDPPKRYSLXIKI-SJLPKXTDSA-N 1 0 386.540 3.825 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC000278957579 842377998 /nfs/dbraw/zinc/37/79/98/842377998.db2.gz ZOGVLWRDWWFPHZ-GOSISDBHSA-N 1 0 389.499 3.551 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)no1 ZINC000329354581 861319616 /nfs/dbraw/zinc/31/96/16/861319616.db2.gz FJTVOKJCWLKOAP-OALUTQOASA-N 1 0 383.496 3.574 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000656984804 842544082 /nfs/dbraw/zinc/54/40/82/842544082.db2.gz OMQYTKMEKOREAQ-CYBMUJFWSA-N 1 0 396.329 3.866 20 30 GHEDRO O=C(Nc1cccc2c1OCCC2=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000329369739 861337762 /nfs/dbraw/zinc/33/77/62/861337762.db2.gz IKIHYDMSOAJRNY-QGZVFWFLSA-N 1 0 385.508 3.785 20 30 GHEDRO CC1(c2cccc(Cl)c2)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599389924 842729198 /nfs/dbraw/zinc/72/91/98/842729198.db2.gz BRLUOKCJCATUQG-LJQANCHMSA-N 1 0 376.928 3.765 20 30 GHEDRO Cc1ccccc1-c1nc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000276754151 842865765 /nfs/dbraw/zinc/86/57/65/842865765.db2.gz LRSNYJGANBIJTN-UHFFFAOYSA-N 1 0 387.487 3.671 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549644874 842877348 /nfs/dbraw/zinc/87/73/48/842877348.db2.gz YPDAQFOLORZLIG-HXUWFJFHSA-N 1 0 397.567 3.910 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)cc1 ZINC000603901188 861357027 /nfs/dbraw/zinc/35/70/27/861357027.db2.gz CYJGAUKWKYMSDK-OAOOKAIFSA-N 1 0 379.504 3.817 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+](C)C ZINC000510528250 842907327 /nfs/dbraw/zinc/90/73/27/842907327.db2.gz WNPXXLUQPGKCAU-OPAMFIHVSA-N 1 0 388.471 3.943 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+](C)C ZINC000510528248 842907760 /nfs/dbraw/zinc/90/77/60/842907760.db2.gz WNPXXLUQPGKCAU-AOMKIAJQSA-N 1 0 388.471 3.943 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+](C)C ZINC000510551516 842950166 /nfs/dbraw/zinc/95/01/66/842950166.db2.gz UUSZXICEHKOJBS-UWJYYQICSA-N 1 0 379.504 3.832 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603905098 861365069 /nfs/dbraw/zinc/36/50/69/861365069.db2.gz BIIFMWJJNVAYCD-NXHRZFHOSA-N 1 0 394.906 3.607 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000329390955 861366405 /nfs/dbraw/zinc/36/64/05/861366405.db2.gz RMRQPJYWSVGVSH-SFHVURJKSA-N 1 0 393.553 3.714 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000228223062 843019119 /nfs/dbraw/zinc/01/91/19/843019119.db2.gz CTNFEOZUTIPECX-YLJYHZDGSA-N 1 0 393.512 3.939 20 30 GHEDRO C=C(C)Cn1c(CCCC)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549656613 843020826 /nfs/dbraw/zinc/02/08/26/843020826.db2.gz LXIIQMQSNDJGDQ-OALUTQOASA-N 1 0 389.588 3.522 20 30 GHEDRO C[C@@H](N[C@@H](CO)c1ccsc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000473170963 843030473 /nfs/dbraw/zinc/03/04/73/843030473.db2.gz PGXPCOOAKOLDBF-WBMJQRKESA-N 1 0 389.546 3.600 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NCC#Cc2cccc(F)c2)[NH+]2CCCC2)cc1 ZINC000512206016 843089350 /nfs/dbraw/zinc/08/93/50/843089350.db2.gz YQXHUECPWGUYTO-JOCHJYFZSA-N 1 0 379.479 3.622 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4c[nH]cn4)CC3)sc2C1 ZINC000610583358 843118019 /nfs/dbraw/zinc/11/80/19/843118019.db2.gz VSTAREFGXCXCRQ-CQSZACIVSA-N 1 0 397.548 3.676 20 30 GHEDRO COc1cccc(F)c1[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000176018156 843124062 /nfs/dbraw/zinc/12/40/62/843124062.db2.gz ADBJUOCYPZZJIL-INIZCTEOSA-N 1 0 398.482 3.540 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243198 843193861 /nfs/dbraw/zinc/19/38/61/843193861.db2.gz JXWSRXYIKNMIJO-DEOSSOPVSA-N 1 0 391.515 3.544 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000329418057 861393830 /nfs/dbraw/zinc/39/38/30/861393830.db2.gz ZQEITKHFWPNGRE-KGLIPLIRSA-N 1 0 382.302 3.571 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(F)c(C#N)c2)ccc1OC ZINC000548414502 843320008 /nfs/dbraw/zinc/32/00/08/843320008.db2.gz KDAGQJJAXWFWGW-UHFFFAOYSA-N 1 0 385.439 3.679 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(F)c2)CC1 ZINC000112639899 843356421 /nfs/dbraw/zinc/35/64/21/843356421.db2.gz MTIRSNLGVXOREK-JOCHJYFZSA-N 1 0 397.469 3.643 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1nc2ccccc2s1 ZINC000065986985 843359787 /nfs/dbraw/zinc/35/97/87/843359787.db2.gz SLWGBYOBNSBCNK-UHFFFAOYSA-N 1 0 379.489 3.764 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)CCC[NH2+]1 ZINC000662548985 843409140 /nfs/dbraw/zinc/40/91/40/843409140.db2.gz MPTSGNNNLJLZAJ-HSZRJFAPSA-N 1 0 375.472 3.526 20 30 GHEDRO C[NH+](C)C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000599628406 861416958 /nfs/dbraw/zinc/41/69/58/861416958.db2.gz SJDFGOCUWAAYAM-SFHVURJKSA-N 1 0 391.302 3.696 20 30 GHEDRO C=CC[C@]1(C(=O)NCc2ccnc(Oc3ccc(OCC)cc3)c2)CCC[NH2+]1 ZINC000662675111 843513458 /nfs/dbraw/zinc/51/34/58/843513458.db2.gz KHEOBJMRDCXDNV-JOCHJYFZSA-N 1 0 381.476 3.587 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000178503733 843541705 /nfs/dbraw/zinc/54/17/05/843541705.db2.gz OXLXNYDDVXQYJR-FZKQIMNGSA-N 1 0 375.266 3.563 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599642975 861439269 /nfs/dbraw/zinc/43/92/69/861439269.db2.gz YGXAZMUECPHMSX-UHFFFAOYSA-N 1 0 396.491 3.551 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000471944952 843776405 /nfs/dbraw/zinc/77/64/05/843776405.db2.gz UJZMFIQNCLFKHE-TZIWHRDSSA-N 1 0 378.476 3.912 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1Cl ZINC000512861661 843897401 /nfs/dbraw/zinc/89/74/01/843897401.db2.gz PLPSJRUCJGTBCI-KRWDZBQOSA-N 1 0 377.916 3.675 20 30 GHEDRO C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000481463304 861468336 /nfs/dbraw/zinc/46/83/36/861468336.db2.gz YGAVINMPJVFCQP-LPHOPBHVSA-N 1 0 381.480 3.577 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(CC#N)c1 ZINC000179102898 861470446 /nfs/dbraw/zinc/47/04/46/861470446.db2.gz YSJITLQXPKIASA-NRFANRHFSA-N 1 0 377.488 3.585 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4nc(Cc5ccccc5)oc4c3)[C@H]2C1 ZINC000329461114 861476776 /nfs/dbraw/zinc/47/67/76/861476776.db2.gz SNWFAAURNFHDRU-PXNSSMCTSA-N 1 0 390.487 3.990 20 30 GHEDRO CC(C)Oc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433314922 844002554 /nfs/dbraw/zinc/00/25/54/844002554.db2.gz AGGJHYJWCILATN-UHFFFAOYSA-N 1 0 375.476 3.936 20 30 GHEDRO COc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c2ccccc2n1 ZINC000433306150 844004297 /nfs/dbraw/zinc/00/42/97/844004297.db2.gz PYMJCJVFBLJFIN-UHFFFAOYSA-N 1 0 398.470 3.705 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(C)C ZINC001211530683 844637450 /nfs/dbraw/zinc/63/74/50/844637450.db2.gz IUXLUTNHEMKQRT-HXUWFJFHSA-N 1 0 397.629 3.566 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CCc3ccc(Br)cc3Cl)n2c1 ZINC000555644347 861482173 /nfs/dbraw/zinc/48/21/73/861482173.db2.gz DQHHDAHHMAKZKE-UHFFFAOYSA-N 1 0 389.684 3.954 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)cc1 ZINC000610860903 844708679 /nfs/dbraw/zinc/70/86/79/844708679.db2.gz AMFSFAFNPUUELW-PKTZIBPZSA-N 1 0 378.516 3.980 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512611906 844742190 /nfs/dbraw/zinc/74/21/90/844742190.db2.gz MSJKSXLYDJEOKK-OCCSQVGLSA-N 1 0 393.256 3.550 20 30 GHEDRO CC(C)(C#N)CCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437480 844988601 /nfs/dbraw/zinc/98/86/01/844988601.db2.gz KMKQRHKAEBFZFU-GOSISDBHSA-N 1 0 389.341 3.961 20 30 GHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512694103 845073169 /nfs/dbraw/zinc/07/31/69/845073169.db2.gz MPTFDOFXPDNMFB-QGZVFWFLSA-N 1 0 394.425 3.816 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000673733199 861529780 /nfs/dbraw/zinc/52/97/80/861529780.db2.gz BCSAKIMPKLLOPJ-SFHVURJKSA-N 1 0 396.516 3.531 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000611004287 845124434 /nfs/dbraw/zinc/12/44/34/845124434.db2.gz PNIVAGJLZDDOLF-UHFFFAOYSA-N 1 0 393.491 3.987 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc2c[nH]nc2c1 ZINC000657237505 845283094 /nfs/dbraw/zinc/28/30/94/845283094.db2.gz GCPJVWXUJQTOCV-UHFFFAOYSA-N 1 0 382.537 3.661 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(F)c1OC)[C@H]2CC ZINC001143553277 845346082 /nfs/dbraw/zinc/34/60/82/845346082.db2.gz RGUZQXIPLYQMEZ-RXVVDRJESA-N 1 0 378.463 3.895 20 30 GHEDRO COc1cccc([C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[NH+]2CCCC2)c1 ZINC000433119503 845353844 /nfs/dbraw/zinc/35/38/44/845353844.db2.gz GRAQHDWFGQUTJZ-GGAORHGYSA-N 1 0 391.515 3.721 20 30 GHEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000162276858 861561463 /nfs/dbraw/zinc/56/14/63/861561463.db2.gz PLUWMVOPHAJGFI-MRXNPFEDSA-N 1 0 385.458 3.920 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000450057697 845409264 /nfs/dbraw/zinc/40/92/64/845409264.db2.gz AINHBEFNGYKMAA-UHFFFAOYSA-N 1 0 392.341 3.809 20 30 GHEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H](C)c1ccc2ccccc2c1 ZINC000262824629 845531400 /nfs/dbraw/zinc/53/14/00/845531400.db2.gz XYQDRWSWSVMBHE-SJLPKXTDSA-N 1 0 390.535 3.618 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001211803221 845545599 /nfs/dbraw/zinc/54/55/99/845545599.db2.gz ZMNIUGPXXSZKIV-UHFFFAOYSA-N 1 0 391.562 3.578 20 30 GHEDRO CC[N@H+](CCC1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1)CC1CC1 ZINC000538947535 845749209 /nfs/dbraw/zinc/74/92/09/845749209.db2.gz FJDSRTBFQQGFEL-SFHVURJKSA-N 1 0 382.552 3.719 20 30 GHEDRO C=CCC1(C(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)CCC1 ZINC000277362903 845837906 /nfs/dbraw/zinc/83/79/06/845837906.db2.gz YNJAVPINYISXKS-UHFFFAOYSA-N 1 0 385.552 3.876 20 30 GHEDRO CC[C@H](c1ccccc1)[NH+]1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC001167509375 845850470 /nfs/dbraw/zinc/85/04/70/845850470.db2.gz MPKRPJDERDBLPG-FGZHOGPDSA-N 1 0 377.488 3.541 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000178519201 845969098 /nfs/dbraw/zinc/96/90/98/845969098.db2.gz XIZSDYFQERTBKG-PKTZIBPZSA-N 1 0 388.515 3.754 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000604032803 861646630 /nfs/dbraw/zinc/64/66/30/861646630.db2.gz PFLWNTDIJAZHHC-SFHVURJKSA-N 1 0 397.544 3.552 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502548692 846189583 /nfs/dbraw/zinc/18/95/83/846189583.db2.gz WNIRYFBGSURLAS-OAQYLSRUSA-N 1 0 386.879 3.590 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)CC1 ZINC000509540307 846196882 /nfs/dbraw/zinc/19/68/82/846196882.db2.gz JCCBXGOEFKOFMC-GOSISDBHSA-N 1 0 383.511 3.699 20 30 GHEDRO N#CC[C@@H](O)C[NH2+][C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001168741728 861649985 /nfs/dbraw/zinc/64/99/85/861649985.db2.gz QDLJPRHQQYJRHK-AEFFLSMTSA-N 1 0 382.357 3.829 20 30 GHEDRO N#CCc1ccc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000016402299 846237203 /nfs/dbraw/zinc/23/72/03/846237203.db2.gz KABPWERMANHUGS-UHFFFAOYSA-N 1 0 391.471 3.534 20 30 GHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000280262748 846344677 /nfs/dbraw/zinc/34/46/77/846344677.db2.gz CMGRLFFZVCEGPV-XALAGWIPSA-N 1 0 398.510 3.552 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)N[C@@H](C)CC)[n+]2cccc(CO)c2)cc1 ZINC000280553371 846434004 /nfs/dbraw/zinc/43/40/04/846434004.db2.gz JKOSCGAHMNHUHT-INIZCTEOSA-O 1 0 385.553 3.746 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000280531602 846434523 /nfs/dbraw/zinc/43/45/23/846434523.db2.gz GXGTXUFMXPGYSR-UHFFFAOYSA-N 1 0 380.448 3.527 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478051940 846655137 /nfs/dbraw/zinc/65/51/37/846655137.db2.gz FWRLKZGCCSIZCX-XMSQKQJNSA-N 1 0 383.536 3.749 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(F)cc(C(F)(F)F)c3)CC2)nc1 ZINC000162436069 861712466 /nfs/dbraw/zinc/71/24/66/861712466.db2.gz YYTPVLRLLUDOIT-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000501256799 846772055 /nfs/dbraw/zinc/77/20/55/846772055.db2.gz MDLFIQWBYRAARG-UHFFFAOYSA-N 1 0 380.444 3.544 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000501256836 846772385 /nfs/dbraw/zinc/77/23/85/846772385.db2.gz IORHRRLFDHOVRN-FXAWDEMLSA-N 1 0 380.488 3.825 20 30 GHEDRO C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000261811400 846789397 /nfs/dbraw/zinc/78/93/97/846789397.db2.gz SQMOSNFTTVUEDJ-PWRODBHTSA-N 1 0 377.573 3.581 20 30 GHEDRO COc1cc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c(F)cc1C#N ZINC000599819053 861723443 /nfs/dbraw/zinc/72/34/43/861723443.db2.gz JJWIQSPPPJBDKL-OAHLLOKOSA-N 1 0 384.455 3.738 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000118577547 847043493 /nfs/dbraw/zinc/04/34/93/847043493.db2.gz BQTNNDGFPWJIEA-GOSISDBHSA-N 1 0 399.457 3.733 20 30 GHEDRO Cn1cc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000478310178 847054275 /nfs/dbraw/zinc/05/42/75/847054275.db2.gz ZLFBBTNAXIFSNI-UHFFFAOYSA-N 1 0 394.519 3.949 20 30 GHEDRO N#CC1(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000118746768 847058690 /nfs/dbraw/zinc/05/86/90/847058690.db2.gz DWPQVNHYJNXUEV-UHFFFAOYSA-N 1 0 389.927 3.773 20 30 GHEDRO N#Cc1ccc([C@H](C(N)=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511110230 847071467 /nfs/dbraw/zinc/07/14/67/847071467.db2.gz WWHUAZTWUXMDKU-PKOBYXMFSA-N 1 0 387.405 3.983 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000481572664 861755641 /nfs/dbraw/zinc/75/56/41/861755641.db2.gz PEENACFLAYFDQS-UHFFFAOYSA-N 1 0 397.441 3.558 20 30 GHEDRO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000329608052 861758620 /nfs/dbraw/zinc/75/86/20/861758620.db2.gz MZJFZCFHXHJLMZ-XXBNENTESA-N 1 0 383.536 3.902 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(OC)c1 ZINC000501847539 847247090 /nfs/dbraw/zinc/24/70/90/847247090.db2.gz DJFXYZDAVZJOFS-FCHUYYIVSA-N 1 0 381.516 3.871 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511126545 847257733 /nfs/dbraw/zinc/25/77/33/847257733.db2.gz YOBGTXSOTKGRFC-LJQANCHMSA-N 1 0 381.442 3.972 20 30 GHEDRO N#CC(CC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1)(c1ccccc1)c1ccccc1 ZINC000555762059 861777740 /nfs/dbraw/zinc/77/77/40/861777740.db2.gz WBFOYDGGXNDROE-ZCYQVOJMSA-N 1 0 390.527 3.796 20 30 GHEDRO C[C@H](Cc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000513780329 847338689 /nfs/dbraw/zinc/33/86/89/847338689.db2.gz VDBHTFZWRRVDLG-QGZVFWFLSA-N 1 0 383.923 3.981 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000429141344 861803277 /nfs/dbraw/zinc/80/32/77/861803277.db2.gz JFCMGHHLUFGDOX-HTAPYJJXSA-N 1 0 397.544 3.904 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000502233700 847642435 /nfs/dbraw/zinc/64/24/35/847642435.db2.gz ORCGWNRRIHWXQO-INIZCTEOSA-N 1 0 398.429 3.885 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc1OCCCC#N ZINC000114509016 847723157 /nfs/dbraw/zinc/72/31/57/847723157.db2.gz NLKAYKVPCYQISS-OAQYLSRUSA-N 1 0 390.430 3.653 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@@H]2SCC)cc1 ZINC000503459021 847727852 /nfs/dbraw/zinc/72/78/52/847727852.db2.gz INNIZMPJHKNBLT-OALUTQOASA-N 1 0 375.538 3.596 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115350028 847841260 /nfs/dbraw/zinc/84/12/60/847841260.db2.gz RHFMVTIBKZBIFH-FQEVSTJZSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001167594790 847945045 /nfs/dbraw/zinc/94/50/45/847945045.db2.gz SNLMILMOLUIBCM-DOOINGLPSA-N 1 0 396.579 3.512 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001167594792 847945538 /nfs/dbraw/zinc/94/55/38/847945538.db2.gz SNLMILMOLUIBCM-VIXZBYKASA-N 1 0 396.579 3.512 20 30 GHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000502522426 847963572 /nfs/dbraw/zinc/96/35/72/847963572.db2.gz CKGRJAXHQVGMEE-HSZRJFAPSA-N 1 0 399.535 3.550 20 30 GHEDRO COc1cc2c(cc1F)[nH+]ccc2N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000479979397 848000573 /nfs/dbraw/zinc/00/05/73/848000573.db2.gz AADPCJKUOPTQBQ-UHFFFAOYSA-N 1 0 380.398 3.720 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc3c2[nH]c2ccccc2c3=O)CC1 ZINC000277790552 848033072 /nfs/dbraw/zinc/03/30/72/848033072.db2.gz VEZJHVOCQMALCH-UHFFFAOYSA-N 1 0 375.472 3.864 20 30 GHEDRO N#CCCn1cc(C[N@@H+](CCC2CCCCC2)CC(N)=O)c(-c2ccccc2)n1 ZINC000092784501 848038539 /nfs/dbraw/zinc/03/85/39/848038539.db2.gz TZHCFNNDZXVYPL-UHFFFAOYSA-N 1 0 393.535 3.721 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COc1c(OC)cccc1OC)c1ccc(F)c(F)c1 ZINC000481617704 861866537 /nfs/dbraw/zinc/86/65/37/861866537.db2.gz WNIKALAGLHYSLD-MGPUTAFESA-N 1 0 393.430 3.629 20 30 GHEDRO C[C@H](NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000074855130 848154946 /nfs/dbraw/zinc/15/49/46/848154946.db2.gz ISNLKKQKCNDWDX-PGRDOPGGSA-N 1 0 376.504 3.925 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNc1ccc(-n2ccnc2C)nc1 ZINC000327090873 848275890 /nfs/dbraw/zinc/27/58/90/848275890.db2.gz IMFHLQHQXRVXRO-UHFFFAOYSA-N 1 0 397.276 3.962 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000180051008 861924023 /nfs/dbraw/zinc/92/40/23/861924023.db2.gz KDYYCRKSTUQGLR-NRFANRHFSA-N 1 0 377.488 3.814 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)COc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000604200527 861969898 /nfs/dbraw/zinc/96/98/98/861969898.db2.gz NWDBUHIRSUOUBL-QFIPXVFZSA-N 1 0 377.488 3.526 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1C#N ZINC000535924973 849035013 /nfs/dbraw/zinc/03/50/13/849035013.db2.gz TVZBKCWHUMJDJI-UHFFFAOYSA-N 1 0 388.471 3.800 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000329123798 849160277 /nfs/dbraw/zinc/16/02/77/849160277.db2.gz LPHKCUPQXDRJTJ-WIYYLYMNSA-N 1 0 398.551 3.706 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(c3cccc(Br)c3)CC2)CC1 ZINC000154784053 849353274 /nfs/dbraw/zinc/35/32/74/849353274.db2.gz LMLDLAUETHGDBX-UHFFFAOYSA-N 1 0 392.341 3.778 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccc(C#N)c2)C1 ZINC000555851677 862026027 /nfs/dbraw/zinc/02/60/27/862026027.db2.gz HOYCAGHERQYGQH-UHFFFAOYSA-N 1 0 386.499 3.596 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000503925083 849766314 /nfs/dbraw/zinc/76/63/14/849766314.db2.gz BMXCIYPDUQQOCG-QFIPXVFZSA-N 1 0 388.471 3.526 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2)CC1 ZINC000505525477 849788128 /nfs/dbraw/zinc/78/81/28/849788128.db2.gz DPXNKLCZIFKNKO-UHFFFAOYSA-N 1 0 382.895 3.601 20 30 GHEDRO N#C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1c(Cl)cccc1Cl ZINC000505541407 849812794 /nfs/dbraw/zinc/81/27/94/849812794.db2.gz XVNFJJNAMZXFSJ-INIZCTEOSA-N 1 0 396.318 3.709 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000505545663 849833976 /nfs/dbraw/zinc/83/39/76/849833976.db2.gz WFBMHHCKKBCXSA-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cc1 ZINC000434869880 849856474 /nfs/dbraw/zinc/85/64/74/849856474.db2.gz ONBWZAFULOEQKI-ABAIWWIYSA-N 1 0 390.306 3.838 20 30 GHEDRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000469261754 849977742 /nfs/dbraw/zinc/97/77/42/849977742.db2.gz XAIVDNPMPNHRTN-UHFFFAOYSA-N 1 0 377.897 3.854 20 30 GHEDRO N#CCc1ccc(CS(=O)(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000514603738 850047171 /nfs/dbraw/zinc/04/71/71/850047171.db2.gz PJRWZFNSHKQPEN-UHFFFAOYSA-N 1 0 383.517 3.680 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c(OC)c1 ZINC000504493383 850089272 /nfs/dbraw/zinc/08/92/72/850089272.db2.gz QGRWNGQWNHGQFK-SFTDATJTSA-N 1 0 397.515 3.662 20 30 GHEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000486782500 850091096 /nfs/dbraw/zinc/09/10/96/850091096.db2.gz ONGCKXHRBHFVOY-JXFKEZNVSA-N 1 0 388.556 3.852 20 30 GHEDRO CC(C)(CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000505610300 850108838 /nfs/dbraw/zinc/10/88/38/850108838.db2.gz LTDDOPFAOGUPKU-UHFFFAOYSA-N 1 0 391.490 3.682 20 30 GHEDRO COCCC[C@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000506619998 850120376 /nfs/dbraw/zinc/12/03/76/850120376.db2.gz SNTUMJOTTZISGH-QUCCMNQESA-N 1 0 385.895 3.538 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc([N+](=O)[O-])c1 ZINC000514723677 850214049 /nfs/dbraw/zinc/21/40/49/850214049.db2.gz XVMZQQFPWSVSRN-UHFFFAOYSA-N 1 0 387.509 3.693 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCc1ccccc1 ZINC000424117927 850231477 /nfs/dbraw/zinc/23/14/77/850231477.db2.gz ZJRXQKYCPKZZCZ-GOSISDBHSA-N 1 0 375.476 3.629 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000908676340 850280302 /nfs/dbraw/zinc/28/03/02/850280302.db2.gz AYQIISNWNKQETA-ICSRJNTNSA-N 1 0 381.524 3.589 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000518896763 850295402 /nfs/dbraw/zinc/29/54/02/850295402.db2.gz HPAVTFRCSJPZKG-QFIPXVFZSA-N 1 0 395.503 3.931 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000028777055 850297221 /nfs/dbraw/zinc/29/72/21/850297221.db2.gz ULVCFQIVOIMPKE-UHFFFAOYSA-O 1 0 384.569 3.886 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000486973878 850324154 /nfs/dbraw/zinc/32/41/54/850324154.db2.gz NXWUIEAURNDKSM-GOSISDBHSA-N 1 0 383.458 3.890 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000504818649 850324106 /nfs/dbraw/zinc/32/41/06/850324106.db2.gz KQQQTPGKMJOWMQ-HXUWFJFHSA-N 1 0 383.442 3.674 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000732190500 862117250 /nfs/dbraw/zinc/11/72/50/862117250.db2.gz ISQRHGZHKYMMAN-KRWDZBQOSA-N 1 0 384.549 3.606 20 30 GHEDRO COc1cc(NC(=O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc(OC)c1 ZINC000425346668 850397958 /nfs/dbraw/zinc/39/79/58/850397958.db2.gz CAGQHVWQVMIIRE-UHFFFAOYSA-N 1 0 393.487 3.636 20 30 GHEDRO COc1cc(C[NH2+]CCOc2ccc(C#N)cc2)ccc1OCc1ccncc1 ZINC000174557943 850422416 /nfs/dbraw/zinc/42/24/16/850422416.db2.gz SILIBJYRBBSJCJ-UHFFFAOYSA-N 1 0 389.455 3.709 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC000518970457 850425046 /nfs/dbraw/zinc/42/50/46/850425046.db2.gz GOIPFSGWBBNBSQ-UHFFFAOYSA-N 1 0 386.455 3.737 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180419266 862130137 /nfs/dbraw/zinc/13/01/37/862130137.db2.gz ODFDVDMOHFZFOZ-KRWDZBQOSA-N 1 0 380.448 3.809 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514952338 850528849 /nfs/dbraw/zinc/52/88/49/850528849.db2.gz OQMGTAUNRNFYKP-FQEVSTJZSA-N 1 0 390.535 3.808 20 30 GHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN(C)CC[C@@H](C)O)sc2C1 ZINC000426519951 850538439 /nfs/dbraw/zinc/53/84/39/850538439.db2.gz DCADIOSQBOMFEG-CABCVRRESA-N 1 0 391.581 3.802 20 30 GHEDRO COc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000555897827 862140089 /nfs/dbraw/zinc/14/00/89/862140089.db2.gz ITARCVAVOPQTGQ-HXUWFJFHSA-N 1 0 395.463 3.696 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000151244192 850637264 /nfs/dbraw/zinc/63/72/64/850637264.db2.gz ZYMYQQVFVMUONT-HDICACEKSA-N 1 0 398.551 3.540 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000909244714 850640990 /nfs/dbraw/zinc/64/09/90/850640990.db2.gz YLRUAIKNBSQXBW-UHFFFAOYSA-N 1 0 375.561 3.626 20 30 GHEDRO C=CCc1cc(CN2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc(OC)c1O ZINC000505278729 850781944 /nfs/dbraw/zinc/78/19/44/850781944.db2.gz ZGYFJACVCJAHPT-UHFFFAOYSA-N 1 0 396.531 3.846 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435743452 850830182 /nfs/dbraw/zinc/83/01/82/850830182.db2.gz RZXREPNSHFPMKH-RDTXWAMCSA-N 1 0 376.298 3.910 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@@H]1OCCc2ccccc21)C(C)C ZINC000514073704 851194639 /nfs/dbraw/zinc/19/46/39/851194639.db2.gz BLQHISDINKGMSP-YADHBBJMSA-N 1 0 385.552 3.640 20 30 GHEDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000436230760 851352836 /nfs/dbraw/zinc/35/28/36/851352836.db2.gz IMTXHRGPPNYYKJ-OAHLLOKOSA-N 1 0 389.565 3.843 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000436259761 851393255 /nfs/dbraw/zinc/39/32/55/851393255.db2.gz LGIYLBFEEWGOBM-PXNSSMCTSA-N 1 0 375.513 3.510 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000425133939 851477450 /nfs/dbraw/zinc/47/74/50/851477450.db2.gz TXDICXNGBYHCJN-SFHVURJKSA-N 1 0 391.515 3.596 20 30 GHEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000120014739 851487192 /nfs/dbraw/zinc/48/71/92/851487192.db2.gz KQJOAPDFUAOOKP-ZDUSSCGKSA-N 1 0 390.940 3.890 20 30 GHEDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488461583 851515419 /nfs/dbraw/zinc/51/54/19/851515419.db2.gz GRNLLFDIGAIVLU-KSSFIOAISA-N 1 0 387.936 3.985 20 30 GHEDRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488461584 851515484 /nfs/dbraw/zinc/51/54/84/851515484.db2.gz GRNLLFDIGAIVLU-RDTXWAMCSA-N 1 0 387.936 3.985 20 30 GHEDRO CN1C[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21 ZINC000436371465 851526650 /nfs/dbraw/zinc/52/66/50/851526650.db2.gz NWKGNIIENKZYSO-LJQANCHMSA-N 1 0 385.515 3.862 20 30 GHEDRO N#Cc1cccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000505801638 851534810 /nfs/dbraw/zinc/53/48/10/851534810.db2.gz KVCRURISRQAVRJ-UHFFFAOYSA-N 1 0 376.460 3.625 20 30 GHEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604501436 862260375 /nfs/dbraw/zinc/26/03/75/862260375.db2.gz TWJVQISJNLMZAK-CVDCTZTESA-N 1 0 380.488 3.510 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000488798148 851790303 /nfs/dbraw/zinc/79/03/03/851790303.db2.gz IWMQRDBHZBJFDT-SFHVURJKSA-N 1 0 379.957 3.866 20 30 GHEDRO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)C1CCCCC1 ZINC000329745696 862286794 /nfs/dbraw/zinc/28/67/94/862286794.db2.gz RJQKLJUUPURGQZ-SXLOBPIMSA-N 1 0 385.556 3.835 20 30 GHEDRO C[C@]1(CNC(=O)NCc2cc(C#N)ccc2F)CCC[N@@H+]1Cc1ccccc1 ZINC000488946803 851895328 /nfs/dbraw/zinc/89/53/28/851895328.db2.gz STRRYNRQNKXJMP-JOCHJYFZSA-N 1 0 380.467 3.551 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3ccccc3F)CC2)cc1 ZINC000515945185 851979316 /nfs/dbraw/zinc/97/93/16/851979316.db2.gz KTDAVAAVWDJKTD-UHFFFAOYSA-N 1 0 395.478 3.591 20 30 GHEDRO N#Cc1cccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000604568177 862307594 /nfs/dbraw/zinc/30/75/94/862307594.db2.gz FEBXXSAOEXTVCZ-UHFFFAOYSA-N 1 0 376.460 3.625 20 30 GHEDRO C=CCc1ccc(OCC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001127053032 852013769 /nfs/dbraw/zinc/01/37/69/852013769.db2.gz CUHYGBORVHLGCR-NRFANRHFSA-N 1 0 394.515 3.535 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)CC1 ZINC000912095973 852065972 /nfs/dbraw/zinc/06/59/72/852065972.db2.gz ZCIKYCPKZVHHLY-NRFANRHFSA-N 1 0 382.891 3.705 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438177442 852092944 /nfs/dbraw/zinc/09/29/44/852092944.db2.gz LBDQZTBBVMRISS-MAUKXSAKSA-N 1 0 394.475 3.963 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000102037903 852104229 /nfs/dbraw/zinc/10/42/29/852104229.db2.gz RHGGKTLOQVTLMX-OAQYLSRUSA-N 1 0 392.503 3.994 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516101171 852142539 /nfs/dbraw/zinc/14/25/39/852142539.db2.gz HPDAEXBHRCCOPR-JOCHJYFZSA-N 1 0 397.526 3.503 20 30 GHEDRO CCc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnn1-c1ccccc1 ZINC000329802519 862330128 /nfs/dbraw/zinc/33/01/28/862330128.db2.gz KKZOYFSBFXCOEM-JTSKRJEESA-N 1 0 393.535 3.929 20 30 GHEDRO N#Cc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000550262673 852215089 /nfs/dbraw/zinc/21/50/89/852215089.db2.gz NNOSJGIIYMIYLH-JOCHJYFZSA-N 1 0 393.506 3.716 20 30 GHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1cccc(-n3cccn3)c1)CC2 ZINC000329805069 862333400 /nfs/dbraw/zinc/33/34/00/862333400.db2.gz MQDNTUSCRRVZPM-DSKINZAPSA-N 1 0 381.524 3.794 20 30 GHEDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000516208071 852289226 /nfs/dbraw/zinc/28/92/26/852289226.db2.gz BENRRZHGUHRLRS-LJQANCHMSA-N 1 0 389.547 3.920 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000517706710 852298092 /nfs/dbraw/zinc/29/80/92/852298092.db2.gz GCAJHXBFNKHHJE-YLJYHZDGSA-N 1 0 385.533 3.602 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1CCCNC(NC(C)(C)C)=[NH+]C[C@@H]1CCCO1 ZINC000912508789 852313547 /nfs/dbraw/zinc/31/35/47/852313547.db2.gz QJNGJMHVZANQHA-NRFANRHFSA-N 1 0 397.567 3.626 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)c1 ZINC000425645137 852449729 /nfs/dbraw/zinc/44/97/29/852449729.db2.gz OEFDULFTGKHLJM-KKSFZXQISA-N 1 0 380.492 3.572 20 30 GHEDRO C=CCC[C@@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccccc1 ZINC000489739715 852562357 /nfs/dbraw/zinc/56/23/57/852562357.db2.gz PGLJDQGATWPGOT-NHCUHLMSSA-N 1 0 378.520 3.910 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000438647306 852677248 /nfs/dbraw/zinc/67/72/48/852677248.db2.gz HXOLDVNDCWQQEQ-FQEVSTJZSA-N 1 0 389.499 3.820 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CC1 ZINC000518006173 852707672 /nfs/dbraw/zinc/70/76/72/852707672.db2.gz BVVGMCUIMJZDGY-INIZCTEOSA-N 1 0 391.585 3.537 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000516569410 852733229 /nfs/dbraw/zinc/73/32/29/852733229.db2.gz LMLKJJRGIAXGPX-UHFFFAOYSA-N 1 0 393.457 3.590 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC[C@H]1CCCCC ZINC000669032259 852767752 /nfs/dbraw/zinc/76/77/52/852767752.db2.gz FPHUZRXFKPCSOH-AQNXPRMDSA-N 1 0 387.572 3.939 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CCC(C)C)C1CCCC1 ZINC000669033087 852789844 /nfs/dbraw/zinc/78/98/44/852789844.db2.gz GNIFVJQMLYPLHD-UXHICEINSA-N 1 0 387.572 3.795 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000516659830 852831120 /nfs/dbraw/zinc/83/11/20/852831120.db2.gz OCCZQOOVRYATKM-JKSUJKDBSA-N 1 0 397.548 3.847 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC2(CCCCC2)CC1 ZINC000329886330 862397877 /nfs/dbraw/zinc/39/78/77/862397877.db2.gz VYKOBHKOSXEHGF-UXHICEINSA-N 1 0 377.573 3.715 20 30 GHEDRO COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC3)c2c1 ZINC000509553034 852905714 /nfs/dbraw/zinc/90/57/14/852905714.db2.gz AYRXQEFOGABVGK-MWTRTKDXSA-N 1 0 394.519 3.709 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1 ZINC000912925366 852915105 /nfs/dbraw/zinc/91/51/05/852915105.db2.gz IKABOAUORKXEMH-IBGZPJMESA-N 1 0 377.513 3.771 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000516820002 853038734 /nfs/dbraw/zinc/03/87/34/853038734.db2.gz NWANJNHMAIMMNA-QFIPXVFZSA-N 1 0 378.451 3.827 20 30 GHEDRO CCCc1c(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000438913792 853097938 /nfs/dbraw/zinc/09/79/38/853097938.db2.gz ULEYZGLDRKVRBX-KRWDZBQOSA-N 1 0 394.523 3.692 20 30 GHEDRO Cc1nnc(CNC(N[C@H](C)c2ccccc2)=[NH+]C2CCC(C)(C)CC2)n1C ZINC000261963048 853131189 /nfs/dbraw/zinc/13/11/89/853131189.db2.gz KUDRHIUTXXDSMO-MRXNPFEDSA-N 1 0 382.556 3.889 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000329949017 862448799 /nfs/dbraw/zinc/44/87/99/862448799.db2.gz LFAWVWNQEPKJRK-PMXSJFBMSA-N 1 0 381.524 3.706 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000329954631 862454582 /nfs/dbraw/zinc/45/45/82/862454582.db2.gz NXOZBCWCUFQLKU-OAHLLOKOSA-N 1 0 375.900 3.524 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000517091730 853374487 /nfs/dbraw/zinc/37/44/87/853374487.db2.gz RHXDALFTMACQOJ-GOSISDBHSA-N 1 0 392.459 3.717 20 30 GHEDRO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329962868 862462544 /nfs/dbraw/zinc/46/25/44/862462544.db2.gz SXWYXXNFBYILFE-XKGZKEIXSA-N 1 0 392.519 3.567 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000437702814 853438903 /nfs/dbraw/zinc/43/89/03/853438903.db2.gz NQXFTXZXJFJBAZ-RBBKRZOGSA-N 1 0 385.552 3.843 20 30 GHEDRO [NH2+]=C(NCc1cc(Br)cs1)Nc1ccc2c(c1)OCCCO2 ZINC000261983105 853443442 /nfs/dbraw/zinc/44/34/42/853443442.db2.gz ITGRIOWYHXLFKP-UHFFFAOYSA-N 1 0 382.283 3.599 20 30 GHEDRO CCCc1c(NC(=O)NC[C@H]2CC[N@@H+](CCC)C2)cnn1-c1cccc(C#N)c1 ZINC000439229189 853448717 /nfs/dbraw/zinc/44/87/17/853448717.db2.gz KMSPNPBOFFHQAV-GOSISDBHSA-N 1 0 394.523 3.550 20 30 GHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329975467 862470888 /nfs/dbraw/zinc/47/08/88/862470888.db2.gz DRMGQHLZVSEKCC-KRWDZBQOSA-N 1 0 386.475 3.777 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000506532942 853503558 /nfs/dbraw/zinc/50/35/58/853503558.db2.gz RPDWIWCKWLUOCN-QGZVFWFLSA-N 1 0 379.479 3.788 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc(C#N)c1 ZINC000586790997 853549909 /nfs/dbraw/zinc/54/99/09/853549909.db2.gz PASFRCSYRMWBNK-JXFKEZNVSA-N 1 0 383.442 3.893 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)cc3C)CC2)cc1 ZINC000163576715 862478991 /nfs/dbraw/zinc/47/89/91/862478991.db2.gz VQWUREQMTQZUKY-UHFFFAOYSA-N 1 0 377.488 3.517 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCOc2c(OC)cccc21)C(C)C ZINC000586983004 853614680 /nfs/dbraw/zinc/61/46/80/853614680.db2.gz VDXIIRRGDJOZMT-MOPGFXCFSA-N 1 0 387.524 3.517 20 30 GHEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N(C)Cc2ccc3ccccc3c2)n1C ZINC000261991703 853628696 /nfs/dbraw/zinc/62/86/96/853628696.db2.gz RKNIQUZGNPSPKT-UHFFFAOYSA-N 1 0 390.535 3.797 20 30 GHEDRO Cc1nnc(CNC(NCc2oc3ccccc3c2C)=[NH+]C2CCCCC2)n1C ZINC000261991064 853638782 /nfs/dbraw/zinc/63/87/82/853638782.db2.gz RHWHLXAXZNUQJB-UHFFFAOYSA-N 1 0 394.523 3.746 20 30 GHEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)N2CCCCC2)cc1 ZINC000440804692 853649416 /nfs/dbraw/zinc/64/94/16/853649416.db2.gz FAQPCZOZGCUCBX-QFIPXVFZSA-N 1 0 379.504 3.892 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556048642 862490701 /nfs/dbraw/zinc/49/07/01/862490701.db2.gz ZUCJYOCTTLMIBK-HZPDHXFCSA-N 1 0 384.442 3.776 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000517351225 853697585 /nfs/dbraw/zinc/69/75/85/853697585.db2.gz JMYOZJMJAYHDFO-WOJBJXKFSA-N 1 0 379.435 3.846 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000517377454 853707355 /nfs/dbraw/zinc/70/73/55/853707355.db2.gz LNRBHQANSCGJBB-UHFFFAOYSA-N 1 0 394.972 3.665 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c(O)c(OC)c1 ZINC000164203052 853787345 /nfs/dbraw/zinc/78/73/45/853787345.db2.gz IPUJJRZIFIKSMI-UHFFFAOYSA-N 1 0 386.517 3.585 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571222966 853807869 /nfs/dbraw/zinc/80/78/69/853807869.db2.gz OOCKLSVOCSAHQS-FQEVSTJZSA-N 1 0 377.488 3.854 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000481915242 862512775 /nfs/dbraw/zinc/51/27/75/862512775.db2.gz LPMNXKRLKPDIGA-XMMPIXPASA-N 1 0 375.516 3.948 20 30 GHEDRO CN(Cc1cc(C#N)ccc1F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000571595704 853953251 /nfs/dbraw/zinc/95/32/51/853953251.db2.gz BSZBTMNUXZQBCL-HNNXBMFYSA-N 1 0 382.357 3.588 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2sccc2C#N)CC1 ZINC000571638234 853971184 /nfs/dbraw/zinc/97/11/84/853971184.db2.gz ANLHRVRKNZORFM-UHFFFAOYSA-N 1 0 375.881 3.998 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000520237588 853982751 /nfs/dbraw/zinc/98/27/51/853982751.db2.gz UJSOQAIMNSUUTK-FQEVSTJZSA-N 1 0 397.906 3.761 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441282687 854052147 /nfs/dbraw/zinc/05/21/47/854052147.db2.gz HXAJZSCBIBHIAU-KURKYZTESA-N 1 0 387.549 3.625 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000185986013 862539551 /nfs/dbraw/zinc/53/95/51/862539551.db2.gz JPDMPNZUZMUYGS-VXKWHMMOSA-N 1 0 398.528 3.772 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(-n2ccnn2)c1 ZINC000588230230 854224860 /nfs/dbraw/zinc/22/48/60/854224860.db2.gz KBSACAIUIGPFHF-YQHFOJDRSA-N 1 0 388.475 3.575 20 30 GHEDRO N#Cc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(N)c1[N+](=O)[O-] ZINC000550341440 854245754 /nfs/dbraw/zinc/24/57/54/854245754.db2.gz KZAKYKALZCTUHE-UHFFFAOYSA-N 1 0 385.855 3.779 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[NH+](C)C ZINC000588665591 854316270 /nfs/dbraw/zinc/31/62/70/854316270.db2.gz JGHBWAIDZWZBRH-HVETUWLQSA-N 1 0 376.504 3.845 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)[NH+](C)C ZINC000588732549 854387166 /nfs/dbraw/zinc/38/71/66/854387166.db2.gz CURHWUGFRUHERH-TZYHBYERSA-N 1 0 390.531 3.643 20 30 GHEDRO CC1(C)CCc2ccccc2[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000328613917 854483569 /nfs/dbraw/zinc/48/35/69/854483569.db2.gz QSNFGFZTKGKHAF-VSKRKVRLSA-N 1 0 399.579 3.972 20 30 GHEDRO Cn1c(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)nc2cc(Cl)ccc21 ZINC000328719386 854502233 /nfs/dbraw/zinc/50/22/33/854502233.db2.gz VNZBRCDHGGCHSL-MRXNPFEDSA-N 1 0 389.931 3.591 20 30 GHEDRO Cn1c(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)nc2cccc(Cl)c21 ZINC000330098342 862572130 /nfs/dbraw/zinc/57/21/30/862572130.db2.gz BSPLFAGAYPKPQC-UHFFFAOYSA-N 1 0 389.931 3.591 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccnc4ccccc43)CC2)cc1 ZINC000572494474 854524321 /nfs/dbraw/zinc/52/43/21/854524321.db2.gz XBPVCQMIMDSPMT-HXUWFJFHSA-N 1 0 387.483 3.726 20 30 GHEDRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000328792644 854559131 /nfs/dbraw/zinc/55/91/31/854559131.db2.gz RMIQGLLIUQZDCN-CRAIPNDOSA-N 1 0 389.565 3.965 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000588940488 854605293 /nfs/dbraw/zinc/60/52/93/854605293.db2.gz HBCZHLXWNUSYQB-UHFFFAOYSA-N 1 0 391.515 3.709 20 30 GHEDRO CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000328912438 854619351 /nfs/dbraw/zinc/61/93/51/854619351.db2.gz HGSJLWXJUPJLSE-KRWDZBQOSA-N 1 0 379.451 3.808 20 30 GHEDRO O=C(Nc1ccccc1N1CCCC1=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328991016 854643608 /nfs/dbraw/zinc/64/36/08/854643608.db2.gz FLXROZRJKUSZKD-UHFFFAOYSA-N 1 0 384.524 3.794 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)C1 ZINC000330476849 854676240 /nfs/dbraw/zinc/67/62/40/854676240.db2.gz IFJUHGZSVCPAMD-OAHLLOKOSA-N 1 0 379.932 3.791 20 30 GHEDRO C[NH+](C)CCN(Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccc(C#N)cc1 ZINC000589194596 854741124 /nfs/dbraw/zinc/74/11/24/854741124.db2.gz VHWGASLEHNWAHD-UHFFFAOYSA-N 1 0 393.922 3.961 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000056554622 854788570 /nfs/dbraw/zinc/78/85/70/854788570.db2.gz GXEYPTMXCKMHJI-KRWDZBQOSA-N 1 0 384.505 3.977 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)CC2 ZINC000589343374 854799962 /nfs/dbraw/zinc/79/99/62/854799962.db2.gz VKDOGQVSNLZJMR-OXJNMPFZSA-N 1 0 385.305 3.749 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(C)C ZINC000498360489 854819209 /nfs/dbraw/zinc/81/92/09/854819209.db2.gz QWMXIMOXWDWFGZ-HXUWFJFHSA-N 1 0 395.551 3.583 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 ZINC000331219312 854827506 /nfs/dbraw/zinc/82/75/06/854827506.db2.gz ARONMJOXENAWRO-UHFFFAOYSA-N 1 0 394.947 3.641 20 30 GHEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000331242399 854831410 /nfs/dbraw/zinc/83/14/10/854831410.db2.gz RAJULVQCLKLMIH-MRXNPFEDSA-N 1 0 375.557 3.538 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)ccc1OC ZINC000127272369 854945459 /nfs/dbraw/zinc/94/54/59/854945459.db2.gz UPFUOMQJIDXJHK-UHFFFAOYSA-N 1 0 384.476 3.638 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000765811447 855020339 /nfs/dbraw/zinc/02/03/39/855020339.db2.gz YAYRLCLAOCAUKO-GOTSBHOMSA-N 1 0 398.934 3.904 20 30 GHEDRO Cc1ccc(-c2csc(NC(=O)CN3CCS[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000330172955 862633476 /nfs/dbraw/zinc/63/34/76/862633476.db2.gz GXQCXQHLGQKSQK-DLBZAZTESA-N 1 0 389.546 3.913 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)c2ccccc21 ZINC000669335567 855045124 /nfs/dbraw/zinc/04/51/24/855045124.db2.gz NPTFWFCYIKYABX-QKLQHJQFSA-N 1 0 379.508 3.645 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000589587636 855072682 /nfs/dbraw/zinc/07/26/82/855072682.db2.gz MFKLEFRINLYBGJ-QGZVFWFLSA-N 1 0 383.517 3.928 20 30 GHEDRO N#Cc1cc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)ccn1 ZINC000590019594 855235728 /nfs/dbraw/zinc/23/57/28/855235728.db2.gz CSWSEMHPUQHMFD-NZQKXSOJSA-N 1 0 389.430 3.633 20 30 GHEDRO CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000590053382 855264558 /nfs/dbraw/zinc/26/45/58/855264558.db2.gz VBTXYBLSXMTMGS-LPHOPBHVSA-N 1 0 381.476 3.792 20 30 GHEDRO CC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000249767634 855298120 /nfs/dbraw/zinc/29/81/20/855298120.db2.gz QIHCUOUQIGDVSM-VGSWGCGISA-N 1 0 395.478 3.680 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000106774827 855299775 /nfs/dbraw/zinc/29/97/75/855299775.db2.gz DBHHIFMDNFVYTD-UHFFFAOYSA-N 1 0 393.318 3.949 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000590194702 855316604 /nfs/dbraw/zinc/31/66/04/855316604.db2.gz HSLFBNITXSVGTI-PEBVRCNWSA-N 1 0 384.293 3.682 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000590211987 855335202 /nfs/dbraw/zinc/33/52/02/855335202.db2.gz IKYNFEXIXOVUAN-JOCHJYFZSA-N 1 0 376.504 3.581 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000465623107 855408966 /nfs/dbraw/zinc/40/89/66/855408966.db2.gz GQTZKPCAINASFP-FGZHOGPDSA-N 1 0 376.504 3.730 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1O2 ZINC000542690971 855456147 /nfs/dbraw/zinc/45/61/47/855456147.db2.gz MZGHOJVDMXRZTC-LJQANCHMSA-N 1 0 395.890 3.930 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2ccccc2C#N)C1 ZINC000107728836 855529404 /nfs/dbraw/zinc/52/94/04/855529404.db2.gz UPEGABIZHJWNIB-RTBURBONSA-N 1 0 391.515 3.731 20 30 GHEDRO C[C@H](NC(=O)c1cccc(C#N)c1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000590701829 855553046 /nfs/dbraw/zinc/55/30/46/855553046.db2.gz IQRIKKPUGDQHLG-ZFWWWQNUSA-N 1 0 390.325 3.704 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)c1cccc(Cl)c1 ZINC000590750720 855563741 /nfs/dbraw/zinc/56/37/41/855563741.db2.gz FXGLYMWTKDDCTH-VAMGGRTRSA-N 1 0 389.927 3.602 20 30 GHEDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CC23CCOCC3)cn1 ZINC000590755293 855564713 /nfs/dbraw/zinc/56/47/13/855564713.db2.gz UKDXASJINBFSIA-NRFANRHFSA-N 1 0 378.520 3.617 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000542725967 855569216 /nfs/dbraw/zinc/56/92/16/855569216.db2.gz FUZOJZFUKIVIJS-FQEVSTJZSA-N 1 0 385.895 3.651 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(-c2ccccc2)nn1C ZINC000590777740 855580200 /nfs/dbraw/zinc/58/02/00/855580200.db2.gz MJKNBCLBZWNEIP-KRWDZBQOSA-N 1 0 386.503 3.673 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000056802142 855669738 /nfs/dbraw/zinc/66/97/38/855669738.db2.gz KSHBGOBQMIKZFS-UHFFFAOYSA-N 1 0 378.476 3.697 20 30 GHEDRO COc1cccc([C@@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+](C)C)c1 ZINC000301367052 855679299 /nfs/dbraw/zinc/67/92/99/855679299.db2.gz SSKAGPFCWUMEMU-HXUWFJFHSA-N 1 0 391.431 3.738 20 30 GHEDRO CC(C)(C)c1cnc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000330269523 862708597 /nfs/dbraw/zinc/70/85/97/862708597.db2.gz SAACSQIXRZZAHS-HUUCEWRRSA-N 1 0 380.558 3.534 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000301699132 855743006 /nfs/dbraw/zinc/74/30/06/855743006.db2.gz DRSIHVLKHICAOJ-XMSQKQJNSA-N 1 0 376.460 3.957 20 30 GHEDRO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614608052 855752336 /nfs/dbraw/zinc/75/23/36/855752336.db2.gz QOCCLJRKJTTZPG-DEOSSOPVSA-N 1 0 377.532 3.557 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000302202538 855836358 /nfs/dbraw/zinc/83/63/58/855836358.db2.gz IJYTUSOLYBKLPE-WOJBJXKFSA-N 1 0 376.460 3.957 20 30 GHEDRO N#Cc1cc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1C(F)(F)F ZINC000302210690 855840749 /nfs/dbraw/zinc/84/07/49/855840749.db2.gz YVXHRCRLHDMMIU-MSOLQXFVSA-N 1 0 375.394 3.624 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000417672485 855843698 /nfs/dbraw/zinc/84/36/98/855843698.db2.gz TZBMQDRFTSTWNH-UHFFFAOYSA-N 1 0 389.521 3.917 20 30 GHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N1CCCC1 ZINC000237210736 855871004 /nfs/dbraw/zinc/87/10/04/855871004.db2.gz ORERTFKNEYULMS-PGRDOPGGSA-N 1 0 379.504 3.913 20 30 GHEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000591282107 855882892 /nfs/dbraw/zinc/88/28/92/855882892.db2.gz MACGSCQYRLHGTP-IRXDYDNUSA-N 1 0 382.439 3.823 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(F)(F)F ZINC000591305223 855900567 /nfs/dbraw/zinc/90/05/67/855900567.db2.gz ICLLFAPUBWDLCC-ZIAGYGMSSA-N 1 0 396.413 3.700 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000591306348 855901734 /nfs/dbraw/zinc/90/17/34/855901734.db2.gz SGAVAKLACPFTEI-AEFFLSMTSA-N 1 0 394.523 3.633 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000302805382 855940370 /nfs/dbraw/zinc/94/03/70/855940370.db2.gz MFQKJEDWHWKGAQ-IAGOWNOFSA-N 1 0 381.476 3.690 20 30 GHEDRO COc1ccc([C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)N2CCCCC2)cc1 ZINC000123153903 855989363 /nfs/dbraw/zinc/98/93/63/855989363.db2.gz OUBSQJOKRIUHIQ-JOCHJYFZSA-N 1 0 389.503 3.531 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1 ZINC000148856701 856039903 /nfs/dbraw/zinc/03/99/03/856039903.db2.gz FLYRICGOCFQKFE-FUHWJXTLSA-N 1 0 382.533 3.892 20 30 GHEDRO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000026643652 856078966 /nfs/dbraw/zinc/07/89/66/856078966.db2.gz WXPHKHVUGAIXRA-NRFANRHFSA-N 1 0 392.499 3.510 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1Cl ZINC000303511551 856100897 /nfs/dbraw/zinc/10/08/97/856100897.db2.gz CJZLARIYYNYVBD-NRFANRHFSA-N 1 0 397.906 3.912 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1C(F)(F)F ZINC000171477507 856149487 /nfs/dbraw/zinc/14/94/87/856149487.db2.gz GTIOFJLWVJQUKB-UHFFFAOYSA-N 1 0 389.421 3.710 20 30 GHEDRO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000303962041 856215156 /nfs/dbraw/zinc/21/51/56/856215156.db2.gz ZZQJKGGALBHUDO-IRFCIJBXSA-N 1 0 375.557 3.635 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000674371115 856221479 /nfs/dbraw/zinc/22/14/79/856221479.db2.gz KMRNONKLSSKBDS-NQIIRXRSSA-N 1 0 394.544 3.879 20 30 GHEDRO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000591763943 856232054 /nfs/dbraw/zinc/23/20/54/856232054.db2.gz RYAPLKYZJNLKFY-ZGYKYGCBSA-N 1 0 378.472 3.617 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000171705492 856237972 /nfs/dbraw/zinc/23/79/72/856237972.db2.gz MAPJGFNRZMADQV-UHFFFAOYSA-N 1 0 390.578 3.672 20 30 GHEDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c(OC(C)(C)C)c1 ZINC000591749464 856240136 /nfs/dbraw/zinc/24/01/36/856240136.db2.gz ZICAKVQMOGNUHG-HXUWFJFHSA-N 1 0 382.504 3.768 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000171740499 856248029 /nfs/dbraw/zinc/24/80/29/856248029.db2.gz QKINBOSUVJGRHL-UHFFFAOYSA-N 1 0 392.341 3.774 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(OC)c1 ZINC000591810755 856349316 /nfs/dbraw/zinc/34/93/16/856349316.db2.gz JBMGNPMBMYRUNG-URXFXBBRSA-N 1 0 397.515 3.627 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000619756540 856409479 /nfs/dbraw/zinc/40/94/79/856409479.db2.gz AAISYCUOLYOMSD-LJQANCHMSA-N 1 0 382.895 3.675 20 30 GHEDRO CCCN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000591997587 856562116 /nfs/dbraw/zinc/56/21/16/856562116.db2.gz AYSABGYBVDOWFA-OAQYLSRUSA-N 1 0 376.504 3.851 20 30 GHEDRO CN(C(=O)C[NH+]1CCC(CC#N)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000542884471 856630584 /nfs/dbraw/zinc/63/05/84/856630584.db2.gz XOILMRLFQISXKJ-QHCPKHFHSA-N 1 0 379.479 3.999 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131030 856671249 /nfs/dbraw/zinc/67/12/49/856671249.db2.gz QNERCEBWGAEVBD-MXVIHJGJSA-N 1 0 395.459 3.651 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592185103 856684423 /nfs/dbraw/zinc/68/44/23/856684423.db2.gz VWCWXBKCDKPRCT-IAGOWNOFSA-N 1 0 387.549 3.910 20 30 GHEDRO C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1sc3c(c1C#N)CCCC3)CCOCC2 ZINC000592181095 856762919 /nfs/dbraw/zinc/76/29/19/856762919.db2.gz BZVVQSBJLSEMAD-OAHLLOKOSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](O)[C@@H]3CCc3ccccc3)o2)c1 ZINC000592168672 856773253 /nfs/dbraw/zinc/77/32/53/856773253.db2.gz UVIQWHHHTUGSHA-LEWJYISDSA-N 1 0 388.471 3.566 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3ccccc3Br)CCC2)C(N)=O)cc1 ZINC000427835319 856804711 /nfs/dbraw/zinc/80/47/11/856804711.db2.gz ALEDAEOHOWYTLJ-SFHVURJKSA-N 1 0 398.304 3.559 20 30 GHEDRO COc1ccc(C[NH2+]CCc2cn3c(cccc3C)n2)cc1OCCCC#N ZINC000592379370 856824123 /nfs/dbraw/zinc/82/41/23/856824123.db2.gz MJRYYLZYWSRYEB-UHFFFAOYSA-N 1 0 378.476 3.666 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ncc(C#N)cc3Cl)cc2)C1 ZINC000427918139 856857625 /nfs/dbraw/zinc/85/76/25/856857625.db2.gz RGURAJROJTVCGJ-OAHLLOKOSA-N 1 0 382.895 3.769 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000592476213 856887529 /nfs/dbraw/zinc/88/75/29/856887529.db2.gz MGHOIHZNZPEYIL-QFIPXVFZSA-N 1 0 379.504 3.734 20 30 GHEDRO CCOCc1ccccc1CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063750391 857050415 /nfs/dbraw/zinc/05/04/15/857050415.db2.gz UFEXDENSCWGQBF-UHFFFAOYSA-N 1 0 379.504 3.622 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CCCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000733324381 862865427 /nfs/dbraw/zinc/86/54/27/862865427.db2.gz URCNNVQAWJHEDB-UHFFFAOYSA-N 1 0 391.559 3.699 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944974 857052435 /nfs/dbraw/zinc/05/24/35/857052435.db2.gz JEUGVABDZSOJFC-MJGOQNOKSA-N 1 0 397.544 3.547 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000733328670 862870007 /nfs/dbraw/zinc/87/00/07/862870007.db2.gz ZIXWKXCYJLNHOS-QHCPKHFHSA-N 1 0 398.934 3.905 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)cc1 ZINC000733328690 862870742 /nfs/dbraw/zinc/87/07/42/862870742.db2.gz YAXHQZTXCSLLGT-QGZVFWFLSA-N 1 0 385.305 3.830 20 30 GHEDRO COc1ccc(CCC[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485798377 857100265 /nfs/dbraw/zinc/10/02/65/857100265.db2.gz FGMIWBLJLOBNPD-QFIPXVFZSA-N 1 0 377.488 3.627 20 30 GHEDRO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485809631 857111398 /nfs/dbraw/zinc/11/13/98/857111398.db2.gz AURACFFMENSXGP-IBGZPJMESA-N 1 0 385.414 3.787 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000733330237 862872533 /nfs/dbraw/zinc/87/25/33/862872533.db2.gz NXCIFQVQNBRDDD-IBGZPJMESA-N 1 0 386.540 3.916 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[NH+]2CCCC2)o1 ZINC000888411354 857131605 /nfs/dbraw/zinc/13/16/05/857131605.db2.gz WGZXSVIOEQMHJB-LLVKDONJSA-N 1 0 379.873 3.528 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000112544627 857148574 /nfs/dbraw/zinc/14/85/74/857148574.db2.gz MRHRUWULPCOJDM-KRWDZBQOSA-N 1 0 378.476 3.626 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1cccs1 ZINC000888412556 857181006 /nfs/dbraw/zinc/18/10/06/857181006.db2.gz NFZNWPUKKBRLSL-GWCFXTLKSA-N 1 0 395.941 3.934 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000174028782 857199960 /nfs/dbraw/zinc/19/99/60/857199960.db2.gz ZSZWUFJZGJLRHR-DNVCBOLYSA-N 1 0 386.496 3.641 20 30 GHEDRO N#Cc1cc(Br)ccc1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000593058789 857206348 /nfs/dbraw/zinc/20/63/48/857206348.db2.gz ORKGIKYBYRNUPN-UHFFFAOYSA-N 1 0 392.341 3.636 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000112791690 857208802 /nfs/dbraw/zinc/20/88/02/857208802.db2.gz YYMKMUVRBWAUII-PMACEKPBSA-N 1 0 383.442 3.530 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+](CCO)CCOCC(F)(F)F)cc1 ZINC000112982586 857247273 /nfs/dbraw/zinc/24/72/73/857247273.db2.gz PDYDOGTUFSBCPS-UHFFFAOYSA-N 1 0 378.394 3.598 20 30 GHEDRO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000593084983 857319115 /nfs/dbraw/zinc/31/91/15/857319115.db2.gz VDZDMUVKNBVHFW-FGZHOGPDSA-N 1 0 394.515 3.598 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(Oc2cc(C)ccn2)CC1 ZINC000542976866 857327964 /nfs/dbraw/zinc/32/79/64/857327964.db2.gz OZWCDKGFRHOLFE-GOSISDBHSA-N 1 0 399.560 3.898 20 30 GHEDRO O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000330321277 862902831 /nfs/dbraw/zinc/90/28/31/862902831.db2.gz FVJQNSIEBBDPDU-ZFWWWQNUSA-N 1 0 384.446 3.828 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001129009058 857418174 /nfs/dbraw/zinc/41/81/74/857418174.db2.gz XLPCMOANLBLYDA-AGDMDRQQSA-N 1 0 390.527 3.536 20 30 GHEDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)[C@H]2C1 ZINC000246787511 857461724 /nfs/dbraw/zinc/46/17/24/857461724.db2.gz QKDFURNAHKRFMN-NHTMILBNSA-N 1 0 392.499 3.906 20 30 GHEDRO C=C(CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccccc1 ZINC000672605423 857525694 /nfs/dbraw/zinc/52/56/94/857525694.db2.gz ZSGGVERMWKRBKZ-UHFFFAOYSA-N 1 0 378.520 3.972 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000907221645 857534127 /nfs/dbraw/zinc/53/41/27/857534127.db2.gz BSXHCXJYGPUAMS-UHFFFAOYSA-N 1 0 390.531 3.887 20 30 GHEDRO CC[C@H](C#N)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000593410268 857551380 /nfs/dbraw/zinc/55/13/80/857551380.db2.gz NTAYURLGUCEKIX-HXUWFJFHSA-N 1 0 376.504 3.806 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C[NH+]1CCCC1 ZINC000442180699 857589714 /nfs/dbraw/zinc/58/97/14/857589714.db2.gz HPOCABSIKBWYQY-UHFFFAOYSA-N 1 0 384.402 3.700 20 30 GHEDRO CCN(CC(=O)Nc1sccc1C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000249931059 857612828 /nfs/dbraw/zinc/61/28/28/857612828.db2.gz DSAWRTOFZAJGCF-APWZRJJASA-N 1 0 382.533 3.716 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593535809 857615605 /nfs/dbraw/zinc/61/56/05/857615605.db2.gz PUQWJEHNUZVOPQ-YLJYHZDGSA-N 1 0 397.544 3.602 20 30 GHEDRO C=CCN1CC[C@H]([NH+]2CCC(c3nc(-c4ccccc4OC)cs3)CC2)C1=O ZINC000281280385 862933266 /nfs/dbraw/zinc/93/32/66/862933266.db2.gz IRTLGWUCPHXXEU-IBGZPJMESA-N 1 0 397.544 3.785 20 30 GHEDRO Cc1ccc(NC(=O)c2cc(C)c(C#N)c(C)c2)cc1NC(=O)CC[NH+](C)C ZINC000907419816 857635151 /nfs/dbraw/zinc/63/51/51/857635151.db2.gz DKSCYRZYJOSKCD-UHFFFAOYSA-N 1 0 378.476 3.626 20 30 GHEDRO CC(C)COc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000521243224 857765050 /nfs/dbraw/zinc/76/50/50/857765050.db2.gz GUDONPLPKQSUPX-UHFFFAOYSA-N 1 0 393.531 3.726 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[N@@H+](C)C3(CCCCC3)C2)c1C ZINC000593997856 857823414 /nfs/dbraw/zinc/82/34/14/857823414.db2.gz CQZDDLCYECXTOC-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C#N)cc2)c1 ZINC000058987965 857924754 /nfs/dbraw/zinc/92/47/54/857924754.db2.gz AMYQTXLXSPFIAY-OAHLLOKOSA-N 1 0 394.450 3.763 20 30 GHEDRO C[C@]1(C#N)CCCN(Cn2nc(CN3CCCC3)n(-c3ccccc3)c2=S)C1 ZINC000784015163 857976803 /nfs/dbraw/zinc/97/68/03/857976803.db2.gz VMEDCZNUOKSQNV-OAQYLSRUSA-N 1 0 396.564 3.582 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000466055487 858061359 /nfs/dbraw/zinc/06/13/59/858061359.db2.gz ZBTWLZGNXCZRFN-HTAPYJJXSA-N 1 0 394.494 3.892 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000594360662 858103506 /nfs/dbraw/zinc/10/35/06/858103506.db2.gz AUCSGOWWLDQCRW-MBSDFSHPSA-N 1 0 393.531 3.943 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000594425141 858185344 /nfs/dbraw/zinc/18/53/44/858185344.db2.gz KBSCNRNFSVJIJC-ZDUSSCGKSA-N 1 0 393.310 3.922 20 30 GHEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000594516420 858206846 /nfs/dbraw/zinc/20/68/46/858206846.db2.gz QMJQMYXRINXTNX-INIZCTEOSA-N 1 0 383.517 3.539 20 30 GHEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000594516653 858206868 /nfs/dbraw/zinc/20/68/68/858206868.db2.gz SXWFHPDMSQGAOX-MRXNPFEDSA-N 1 0 383.517 3.539 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]CCNC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000594924932 858305909 /nfs/dbraw/zinc/30/59/09/858305909.db2.gz KTWUVVHSOCDGBI-UHFFFAOYSA-N 1 0 398.304 3.524 20 30 GHEDRO COC[C@@H](C)Oc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594978444 858338230 /nfs/dbraw/zinc/33/82/30/858338230.db2.gz BPNAXZVBGBXBNM-GOSISDBHSA-N 1 0 380.488 3.767 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)NCCCNc2ccccn2)c1 ZINC000115161219 858417760 /nfs/dbraw/zinc/41/77/60/858417760.db2.gz ORGLPYSZKJXHEW-UHFFFAOYSA-N 1 0 386.455 3.764 20 30 GHEDRO N#CC1(CNC(=O)[C@@H]([NH3+])Cc2ccc(OCc3ccccc3)cc2)CCCCC1 ZINC000595258162 858456245 /nfs/dbraw/zinc/45/62/45/858456245.db2.gz MCQIDODAUKEHBT-QFIPXVFZSA-N 1 0 391.515 3.726 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000575065575 858510536 /nfs/dbraw/zinc/51/05/36/858510536.db2.gz QYWFEYCZIGCRJT-LJQANCHMSA-N 1 0 389.588 3.697 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115439692 858530733 /nfs/dbraw/zinc/53/07/33/858530733.db2.gz KQZIZJNYMAMTRT-FQEVSTJZSA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511897 858549150 /nfs/dbraw/zinc/54/91/50/858549150.db2.gz VAXLIWCVTGIURG-HXUWFJFHSA-N 1 0 390.531 3.576 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000922168467 858587824 /nfs/dbraw/zinc/58/78/24/858587824.db2.gz ROELPMDMAGYNMF-HXUWFJFHSA-N 1 0 384.520 3.706 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000281445287 863042906 /nfs/dbraw/zinc/04/29/06/863042906.db2.gz FPSIGXZBODILLG-FKVLARQCSA-N 1 0 385.552 3.662 20 30 GHEDRO N#CC[C@H]1CCCN(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000595618762 858618843 /nfs/dbraw/zinc/61/88/43/858618843.db2.gz QTPUIFGYPXWEKF-HSZRJFAPSA-N 1 0 375.516 3.884 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595653162 858638498 /nfs/dbraw/zinc/63/84/98/858638498.db2.gz KBBCFEFBGBZMGY-UNMCSNQZSA-N 1 0 380.536 3.957 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)Cc3ccc4ccccc4c3)CCOCC2)c1 ZINC000595767450 858664202 /nfs/dbraw/zinc/66/42/02/858664202.db2.gz BMWZIYNNYYFOBJ-DEOSSOPVSA-N 1 0 386.495 3.910 20 30 GHEDRO CCc1cccc(C)c1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595771651 858665486 /nfs/dbraw/zinc/66/54/86/858665486.db2.gz ATJBBKVSXLWXIK-UHFFFAOYSA-N 1 0 377.488 3.663 20 30 GHEDRO C[NH+](C)CCC[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000595905478 858712260 /nfs/dbraw/zinc/71/22/60/858712260.db2.gz CTZWLNBKDRMLOV-XMMPIXPASA-N 1 0 391.559 3.929 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC[C@H]21 ZINC000248150248 858722040 /nfs/dbraw/zinc/72/20/40/858722040.db2.gz QREOFBFFPCJPJK-DENIHFKCSA-N 1 0 375.472 3.907 20 30 GHEDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@@H](O)C12CCCC2 ZINC000330356325 863062893 /nfs/dbraw/zinc/06/28/93/863062893.db2.gz RKUGQKYPQIEBRP-OAQYLSRUSA-N 1 0 385.552 3.856 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](O)C23CCCC3)c2cccs2)CC1 ZINC000330355963 863063175 /nfs/dbraw/zinc/06/31/75/863063175.db2.gz RCYDWTXWUCEARS-IEBWSBKVSA-N 1 0 391.581 3.815 20 30 GHEDRO N#Cc1nc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)sc1Cl ZINC000596150829 858792733 /nfs/dbraw/zinc/79/27/33/858792733.db2.gz LYSCQDFLUBURHO-UHFFFAOYSA-N 1 0 390.940 3.573 20 30 GHEDRO C=CCN1C(=O)N(CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000761151524 858798680 /nfs/dbraw/zinc/79/86/80/858798680.db2.gz PVHQGNMRGUUDRG-UYAOXDASSA-N 1 0 383.536 3.558 20 30 GHEDRO C=CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213577 858816908 /nfs/dbraw/zinc/81/69/08/858816908.db2.gz XMDNQFNJQIDAQZ-GOSISDBHSA-N 1 0 385.475 3.597 20 30 GHEDRO C[NH+](C)Cc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000128723454 858856223 /nfs/dbraw/zinc/85/62/23/858856223.db2.gz QXHVIHIQUYBYCU-UHFFFAOYSA-N 1 0 377.366 3.813 20 30 GHEDRO Cc1c(Cl)cnc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1C#N ZINC000543206131 858858554 /nfs/dbraw/zinc/85/85/54/858858554.db2.gz POYQOLKBGKEARY-HUUCEWRRSA-N 1 0 384.911 3.558 20 30 GHEDRO Cc1cc(N2CCN(c3ccsc3C#N)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596352042 858873383 /nfs/dbraw/zinc/87/33/83/858873383.db2.gz FYZJNQBZHJUVGW-UHFFFAOYSA-N 1 0 379.445 3.711 20 30 GHEDRO N#Cc1ccc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C(F)(F)F ZINC000596422577 858892172 /nfs/dbraw/zinc/89/21/72/858892172.db2.gz FOLJHEDECVOZCW-SFHVURJKSA-N 1 0 375.394 3.756 20 30 GHEDRO CC[C@@H](C)[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000593200069 858966544 /nfs/dbraw/zinc/96/65/44/858966544.db2.gz LGYPGZHFNFAURV-RDTXWAMCSA-N 1 0 396.457 3.799 20 30 GHEDRO C[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO[C@@H]1C1CC1 ZINC000543239473 859002959 /nfs/dbraw/zinc/00/29/59/859002959.db2.gz OHGHTSQIHMBWAW-CTNGQTDRSA-N 1 0 387.549 3.764 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000596693699 859010159 /nfs/dbraw/zinc/01/01/59/859010159.db2.gz BRGFIDPDXXNBSC-HXUWFJFHSA-N 1 0 392.503 3.937 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1C(F)(F)F ZINC000596778302 859068422 /nfs/dbraw/zinc/06/84/22/859068422.db2.gz VNOMAEHSFCHRNH-CQSZACIVSA-N 1 0 380.414 3.821 20 30 GHEDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c([N+](=O)[O-])c1 ZINC001170353740 881388283 /nfs/dbraw/zinc/38/82/83/881388283.db2.gz DTATVLAURYKLIN-HRAATJIYSA-N 1 0 395.459 3.949 20 30 GHEDRO Cc1cccc(-n2cnc3cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc32)c1 ZINC000596926701 859156016 /nfs/dbraw/zinc/15/60/16/859156016.db2.gz SIJCLQAKWFOVAO-UHFFFAOYSA-N 1 0 389.503 3.642 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000596909065 859163676 /nfs/dbraw/zinc/16/36/76/859163676.db2.gz BLKQIKCVPUEBGJ-MRXNPFEDSA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[NH+]1CCC(C)CC1 ZINC000522358254 859174643 /nfs/dbraw/zinc/17/46/43/859174643.db2.gz VPTMSQJXKSEZBL-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000160800795 859223288 /nfs/dbraw/zinc/22/32/88/859223288.db2.gz GBCBDJNZMYSIIJ-MRVPVSSYSA-N 1 0 394.228 3.911 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483261770 859255591 /nfs/dbraw/zinc/25/55/91/859255591.db2.gz UCDIGXHTPPYWGB-KRWDZBQOSA-N 1 0 384.785 3.932 20 30 GHEDRO N#Cc1cccc(OCC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000483268439 859259800 /nfs/dbraw/zinc/25/98/00/859259800.db2.gz FJRMGDKPTRDNNB-KRWDZBQOSA-N 1 0 384.785 3.932 20 30 GHEDRO N#CC[C@@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000597175102 859337372 /nfs/dbraw/zinc/33/73/72/859337372.db2.gz WMRBNQGNBFLCTC-KRWDZBQOSA-N 1 0 382.533 3.772 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000129876840 859350730 /nfs/dbraw/zinc/35/07/30/859350730.db2.gz HXMSSPJFHYBSQR-BUHFOSPRSA-N 1 0 384.483 3.710 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c([N+](=O)[O-])c1 ZINC000764302112 859364183 /nfs/dbraw/zinc/36/41/83/859364183.db2.gz MZNYJNMYBPJLLH-INIZCTEOSA-N 1 0 398.850 3.971 20 30 GHEDRO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000483476777 859400595 /nfs/dbraw/zinc/40/05/95/859400595.db2.gz SMTJVCYIUCNKKR-SFHVURJKSA-N 1 0 377.916 3.502 20 30 GHEDRO Cc1ccc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC000593324548 859409211 /nfs/dbraw/zinc/40/92/11/859409211.db2.gz LASJAJPGWCCDHB-UHFFFAOYSA-N 1 0 390.531 3.681 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CCO)c2ccco2)sc2c1CCCCC2 ZINC000185128662 859487485 /nfs/dbraw/zinc/48/74/85/859487485.db2.gz NFKQOSUXLDFUPF-INIZCTEOSA-N 1 0 387.505 3.524 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3C4CC5CC(C4)CC3C5)CC2)c1 ZINC000593352081 859532845 /nfs/dbraw/zinc/53/28/45/859532845.db2.gz CFTXQECYHJVXFB-UHFFFAOYSA-N 1 0 377.532 3.711 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3coc(C4CCCCC4)n3)CC2)c1 ZINC000593352223 859533985 /nfs/dbraw/zinc/53/39/85/859533985.db2.gz XEDMGMSJLDKBGA-UHFFFAOYSA-N 1 0 392.503 3.988 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3coc(-c4ccccc4)n3)CC2)c1 ZINC000593352474 859535080 /nfs/dbraw/zinc/53/50/80/859535080.db2.gz BJVDBURKGVKHAI-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO Cc1cc(C)cc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593355414 859543631 /nfs/dbraw/zinc/54/36/31/859543631.db2.gz PODIJEQLWNOIDW-UHFFFAOYSA-N 1 0 390.531 3.681 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000483698403 859550488 /nfs/dbraw/zinc/55/04/88/859550488.db2.gz LAFOKARRRPSPRS-CRAIPNDOSA-N 1 0 381.442 3.571 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCSc4ccccc43)CC2)c1 ZINC000593355012 859557961 /nfs/dbraw/zinc/55/79/61/859557961.db2.gz VRIHIDFUXSPMCK-NRFANRHFSA-N 1 0 391.540 3.918 20 30 GHEDRO CC(C)Oc1cccc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593355939 859566335 /nfs/dbraw/zinc/56/63/35/859566335.db2.gz SYSWEZUHLQKJBW-UHFFFAOYSA-N 1 0 391.515 3.669 20 30 GHEDRO CC[N@@H+]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000611092188 859606831 /nfs/dbraw/zinc/60/68/31/859606831.db2.gz KSSZAKVMUXPYAZ-SFHVURJKSA-N 1 0 379.504 3.672 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1C ZINC000611093905 859607721 /nfs/dbraw/zinc/60/77/21/859607721.db2.gz NPUZSDZVPZZFCW-SFHVURJKSA-N 1 0 392.503 3.890 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000593367681 859625106 /nfs/dbraw/zinc/62/51/06/859625106.db2.gz ZEKXGRMXNDOHTM-NRFANRHFSA-N 1 0 399.416 3.855 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000593367682 859625352 /nfs/dbraw/zinc/62/53/52/859625352.db2.gz ZEKXGRMXNDOHTM-OAQYLSRUSA-N 1 0 399.416 3.855 20 30 GHEDRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH+]1CCN(CCC#N)CC1 ZINC000611175039 859628175 /nfs/dbraw/zinc/62/81/75/859628175.db2.gz VSMPOUVBLLONJJ-UHFFFAOYSA-N 1 0 390.959 3.715 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N(C)CCCC[NH+]2CCCCC2)c1C#N ZINC000922331387 859629653 /nfs/dbraw/zinc/62/96/53/859629653.db2.gz WBGOTNSNPIFDDR-UHFFFAOYSA-N 1 0 386.565 3.891 20 30 GHEDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611204942 859650333 /nfs/dbraw/zinc/65/03/33/859650333.db2.gz CAZCDADDDIILST-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@@H]1C ZINC000611226772 859651224 /nfs/dbraw/zinc/65/12/24/859651224.db2.gz KHKCBXLDIYLYCQ-JKSUJKDBSA-N 1 0 379.464 3.692 20 30 GHEDRO C[C@H](O)[C@@](C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000552065672 859691117 /nfs/dbraw/zinc/69/11/17/859691117.db2.gz JRQATOLDUJKYAP-YADARESESA-N 1 0 377.532 3.746 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](C[C@H]3CCOC3)C1)CCC2 ZINC000611350249 859713779 /nfs/dbraw/zinc/71/37/79/859713779.db2.gz FZDMFEJRLQLTQN-JKSUJKDBSA-N 1 0 387.549 3.576 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1cccc(C#N)c1 ZINC000611388874 859733191 /nfs/dbraw/zinc/73/31/91/859733191.db2.gz SVVCVFLRNMKIAI-QRWLVFNGSA-N 1 0 376.485 3.571 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CCC(C[NH+](C)C)CC3)c(=S)o2)cc1 ZINC000765005847 859733901 /nfs/dbraw/zinc/73/39/01/859733901.db2.gz GOCUIUNKQROWEH-UHFFFAOYSA-N 1 0 388.537 3.668 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cn2)C[C@@H](C)O1 ZINC000611390807 859734015 /nfs/dbraw/zinc/73/40/15/859734015.db2.gz STUHMACMQUHDAU-DRSNIGMVSA-N 1 0 376.504 3.734 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(Oc3ccc(C#N)cc3)c1)C2 ZINC000597713627 859741084 /nfs/dbraw/zinc/74/10/84/859741084.db2.gz DVYJAFJEMQEKGA-QHCPKHFHSA-N 1 0 375.472 3.908 20 30 GHEDRO C=CC[N@H+](Cc1ccnn1-c1ccccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000474281717 859745467 /nfs/dbraw/zinc/74/54/67/859745467.db2.gz WELOYYDLCDLYCY-IBGZPJMESA-N 1 0 399.502 3.906 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@H](C[NH+]3CCCC3)C2)nc1-c1cccs1 ZINC000765025187 859749930 /nfs/dbraw/zinc/74/99/30/859749930.db2.gz IRJVPRNTHHUHHO-MRXNPFEDSA-N 1 0 389.594 3.704 20 30 GHEDRO N#Cc1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(Br)c1 ZINC000611500494 859786716 /nfs/dbraw/zinc/78/67/16/859786716.db2.gz NRMUALJVMWNPFU-ROUUACIJSA-N 1 0 382.305 3.889 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000129904717 859823001 /nfs/dbraw/zinc/82/30/01/859823001.db2.gz FQCNVYNBZMNEKR-UHFFFAOYSA-N 1 0 381.476 3.580 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)o1 ZINC000602185063 859843680 /nfs/dbraw/zinc/84/36/80/859843680.db2.gz GLMIJFQJISZVHG-UHFFFAOYSA-N 1 0 380.492 3.710 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508911915 859957199 /nfs/dbraw/zinc/95/71/99/859957199.db2.gz BZUJYGCMHJRXTB-LJQANCHMSA-N 1 0 383.540 3.981 20 30 GHEDRO C=CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000161440227 859961986 /nfs/dbraw/zinc/96/19/86/859961986.db2.gz KGSMKCOYPAVDFQ-UHFFFAOYSA-N 1 0 380.488 3.708 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)Cc3ccc(C#N)cc3)sc2c1)C1CC1 ZINC000598024827 860002090 /nfs/dbraw/zinc/00/20/90/860002090.db2.gz BGMGJDCFSWAKRY-UHFFFAOYSA-N 1 0 376.485 3.943 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000161503547 860005434 /nfs/dbraw/zinc/00/54/34/860005434.db2.gz UQHWBMBXQGKNLZ-QGZVFWFLSA-N 1 0 386.517 3.642 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000598030100 860010909 /nfs/dbraw/zinc/01/09/09/860010909.db2.gz TZHVIRBATXSCLP-UHFFFAOYSA-N 1 0 377.473 3.718 20 30 GHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cnc2ccc(C#N)cn12 ZINC000092402814 860041355 /nfs/dbraw/zinc/04/13/55/860041355.db2.gz RYOZFCRWWXPTFJ-UHFFFAOYSA-N 1 0 388.450 3.800 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000727401189 860073073 /nfs/dbraw/zinc/07/30/73/860073073.db2.gz IGMCVJWWBJZAQB-UHFFFAOYSA-N 1 0 390.487 3.974 20 30 GHEDRO CCN(CCC(F)(F)F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593512585 860081594 /nfs/dbraw/zinc/08/15/94/860081594.db2.gz ZGCBIMAHPKRLPA-UHFFFAOYSA-N 1 0 382.430 3.507 20 30 GHEDRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C#N)nc1 ZINC000598148805 860099175 /nfs/dbraw/zinc/09/91/75/860099175.db2.gz KXRNHIVAKLBQRS-UHFFFAOYSA-N 1 0 384.911 3.981 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508933245 860100902 /nfs/dbraw/zinc/10/09/02/860100902.db2.gz XPVAEZZCCHRYPB-SFHVURJKSA-N 1 0 390.535 3.687 20 30 GHEDRO CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000092705769 860109103 /nfs/dbraw/zinc/10/91/03/860109103.db2.gz QIUDDOBTISORSD-NRFANRHFSA-N 1 0 377.488 3.628 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000602571151 860121876 /nfs/dbraw/zinc/12/18/76/860121876.db2.gz YFSLBJPTUUIQHV-HOTGVXAUSA-N 1 0 384.442 3.545 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC=C(c4ccco4)C3)CC2)c1 ZINC000593517513 860143671 /nfs/dbraw/zinc/14/36/71/860143671.db2.gz SEFGYVWYKUDICP-UHFFFAOYSA-N 1 0 390.487 3.615 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000602619109 860157390 /nfs/dbraw/zinc/15/73/90/860157390.db2.gz MAFXUQHKJZFNOM-QAPCUYQASA-N 1 0 383.458 3.997 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(c3ccc(Cl)nn3)CC2)CC1 ZINC001170394799 881510161 /nfs/dbraw/zinc/51/01/61/881510161.db2.gz ARRVYJAJWNTQLU-UHFFFAOYSA-N 1 0 381.911 3.656 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000484630211 860203219 /nfs/dbraw/zinc/20/32/19/860203219.db2.gz FCNUKINKHLHUOZ-FGZHOGPDSA-N 1 0 398.528 3.620 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000328733552 860223131 /nfs/dbraw/zinc/22/31/31/860223131.db2.gz HVXYGNAVCUXMML-INIZCTEOSA-N 1 0 384.911 3.617 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C1(c3cccc(C#N)c3)CCOCC1)CC2 ZINC000602719135 860230119 /nfs/dbraw/zinc/23/01/19/860230119.db2.gz XVCSJGUEVAMMEP-FQEVSTJZSA-N 1 0 378.472 3.858 20 30 GHEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C1(c3cccc(C#N)c3)CCOCC1)CC2 ZINC000602719136 860230295 /nfs/dbraw/zinc/23/02/95/860230295.db2.gz XVCSJGUEVAMMEP-HXUWFJFHSA-N 1 0 378.472 3.858 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508956600 860247571 /nfs/dbraw/zinc/24/75/71/860247571.db2.gz RJJNWNOTVFZAIL-SFHVURJKSA-N 1 0 390.535 3.847 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000097337202 860259339 /nfs/dbraw/zinc/25/93/39/860259339.db2.gz HVUVNQXHTVYENM-LJQANCHMSA-N 1 0 389.421 3.659 20 30 GHEDRO C=CCn1c(-c2sccc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508964994 860313308 /nfs/dbraw/zinc/31/33/08/860313308.db2.gz VNCDANZUXAGMAX-WMZOPIPTSA-N 1 0 383.565 3.954 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888104 860339188 /nfs/dbraw/zinc/33/91/88/860339188.db2.gz PDKBRTINJKGXJC-AZUAARDMSA-N 1 0 399.498 3.754 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908262 860342842 /nfs/dbraw/zinc/34/28/42/860342842.db2.gz BQEPJEOWNSDJIY-INIZCTEOSA-N 1 0 385.471 3.708 20 30 GHEDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC001170398971 881533046 /nfs/dbraw/zinc/53/30/46/881533046.db2.gz GNZJEDGYTUENTN-VHKYSDTDSA-N 1 0 386.540 3.679 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2ccc(Br)cc2C#N)c1 ZINC000593560786 860367263 /nfs/dbraw/zinc/36/72/63/860367263.db2.gz IOANOHWGUJBEQM-UHFFFAOYSA-N 1 0 386.293 3.872 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532225484 881532675 /nfs/dbraw/zinc/53/26/75/881532675.db2.gz XPYNNYCPZWWHGR-HNAYVOBHSA-N 1 0 392.478 3.902 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000904381203 860397387 /nfs/dbraw/zinc/39/73/87/860397387.db2.gz LOOLWONNNDYVLC-FXAWDEMLSA-N 1 0 382.851 3.589 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000598561343 860397547 /nfs/dbraw/zinc/39/75/47/860397547.db2.gz PXBQSYAISXTXCV-LJQANCHMSA-N 1 0 393.487 3.582 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NCC3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000598544506 860400095 /nfs/dbraw/zinc/40/00/95/860400095.db2.gz YRXWGQMKBWIBBF-UHFFFAOYSA-N 1 0 390.487 3.597 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000598590422 860436215 /nfs/dbraw/zinc/43/62/15/860436215.db2.gz YHFMNNVWFXCPBF-IBGZPJMESA-N 1 0 392.503 3.989 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)ccc1OCc1ccncc1 ZINC000598599703 860440967 /nfs/dbraw/zinc/44/09/67/860440967.db2.gz DDJOSBUEEFPEPM-APWZRJJASA-N 1 0 383.492 3.621 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c(-c2ccc(C#N)cc2)n1 ZINC000922694107 860468058 /nfs/dbraw/zinc/46/80/58/860468058.db2.gz BTMGUQGPMZATJX-DLBZAZTESA-N 1 0 378.398 3.548 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)cc1 ZINC000598643967 860471819 /nfs/dbraw/zinc/47/18/19/860471819.db2.gz UVYWMTJVTINPCP-UHFFFAOYSA-N 1 0 387.405 3.862 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000922697455 860484992 /nfs/dbraw/zinc/48/49/92/860484992.db2.gz OAQPPBNRBJKCQB-RBUKOAKNSA-N 1 0 381.442 3.612 20 30 GHEDRO COC(=O)c1oc([C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000124795510 860498305 /nfs/dbraw/zinc/49/83/05/860498305.db2.gz CJKZYBMMWZWGQC-QGZVFWFLSA-N 1 0 381.476 3.515 20 30 GHEDRO C=CCn1cnc2nc(N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)[nH]c(=O)c21 ZINC001168039165 860509551 /nfs/dbraw/zinc/50/95/51/860509551.db2.gz BPSCUSAOZAUQSR-ALXJQNPVSA-N 1 0 392.507 3.571 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000552340161 860511186 /nfs/dbraw/zinc/51/11/86/860511186.db2.gz MAOFEDJGCZUHQB-NVXWUHKLSA-N 1 0 377.414 3.875 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000552349132 860513277 /nfs/dbraw/zinc/51/32/77/860513277.db2.gz YEUMYSDPWSCVLH-UHFFFAOYSA-N 1 0 380.517 3.791 20 30 GHEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000509009776 860526977 /nfs/dbraw/zinc/52/69/77/860526977.db2.gz FHCMCHGBJLTCBH-UHFFFAOYSA-N 1 0 391.441 3.682 20 30 GHEDRO N#Cc1ccsc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000155518704 860529942 /nfs/dbraw/zinc/52/99/42/860529942.db2.gz BVNXJKIAWJQTMK-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1OC ZINC000727838404 860532348 /nfs/dbraw/zinc/53/23/48/860532348.db2.gz LXRBTGAJLDNNBM-LJQANCHMSA-N 1 0 381.394 3.800 20 30 GHEDRO CC(C)(C)c1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(O)c(C(C)(C)C)c1 ZINC000172124404 860582466 /nfs/dbraw/zinc/58/24/66/860582466.db2.gz BAPOWENTUCZOJL-VZCXRCSSSA-N 1 0 399.535 3.603 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC1 ZINC001170381587 881557071 /nfs/dbraw/zinc/55/70/71/881557071.db2.gz SWRGDXCXXKINKT-BPBCLYCFSA-N 1 0 377.532 3.866 20 30 GHEDRO CC(C)C(=O)N1CC[C@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)CC[C@@H]21 ZINC001170381229 881557158 /nfs/dbraw/zinc/55/71/58/881557158.db2.gz KJPFASCLVBPISR-ZCQABGOQSA-N 1 0 379.548 3.969 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cc1 ZINC000125462675 860676880 /nfs/dbraw/zinc/67/68/80/860676880.db2.gz QAINXNCMVWLEHI-UHFFFAOYSA-N 1 0 391.397 3.508 20 30 GHEDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(C#N)ccc3Br)C2)n1 ZINC000922862632 860688199 /nfs/dbraw/zinc/68/81/99/860688199.db2.gz OPMOICYAOLPNCL-OCCSQVGLSA-N 1 0 375.270 3.692 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(OC[C@H]2CCOC2)c1 ZINC000153018553 881569589 /nfs/dbraw/zinc/56/95/89/881569589.db2.gz DIMKJRHJLUSVSV-ICSRJNTNSA-N 1 0 380.488 3.991 20 30 GHEDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693176 860903659 /nfs/dbraw/zinc/90/36/59/860903659.db2.gz RLNVAJGKGPZSRV-NBGIEHNGSA-N 1 0 388.559 3.948 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000429060852 860905656 /nfs/dbraw/zinc/90/56/56/860905656.db2.gz FFAHUPPEVBOHEO-QFBILLFUSA-N 1 0 378.476 3.599 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)C12CCOCC2 ZINC000329023662 860953989 /nfs/dbraw/zinc/95/39/89/860953989.db2.gz UNRDDOVCOOSKJM-HZPDHXFCSA-N 1 0 397.313 3.601 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)Nc1nc2c(s1)CCC2 ZINC000329035383 860965111 /nfs/dbraw/zinc/96/51/11/860965111.db2.gz CCPRBGOVHYPUOQ-RYRKJORJSA-N 1 0 383.517 3.724 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000593719604 860997698 /nfs/dbraw/zinc/99/76/98/860997698.db2.gz FUTPFNICWZKJIM-KRWDZBQOSA-N 1 0 379.504 3.891 20 30 GHEDRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000329098053 861014441 /nfs/dbraw/zinc/01/44/41/861014441.db2.gz LUANPUXYBYAFPH-ACRUOGEOSA-N 1 0 381.520 3.678 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[N@@H+]1CCC[C@H](C)C1 ZINC000603692484 861025359 /nfs/dbraw/zinc/02/53/59/861025359.db2.gz YJXFGXZXFIDZLW-IRXDYDNUSA-N 1 0 393.491 3.987 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000329112431 861031867 /nfs/dbraw/zinc/03/18/67/861031867.db2.gz RILYFACQOZGIBW-AEFFLSMTSA-N 1 0 396.491 3.905 20 30 GHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000599300323 861042163 /nfs/dbraw/zinc/04/21/63/861042163.db2.gz WLTAKYNZBKACRC-VAMGGRTRSA-N 1 0 378.557 3.508 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000603690162 861048345 /nfs/dbraw/zinc/04/83/45/861048345.db2.gz XLISSLUXRUKYJN-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCC(=O)N1CCSc2ccccc21 ZINC000329140104 861061856 /nfs/dbraw/zinc/06/18/56/861061856.db2.gz FQGDDHVMOYQFGM-SJORKVTESA-N 1 0 389.565 3.982 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000599347803 861084271 /nfs/dbraw/zinc/08/42/71/861084271.db2.gz BBXXMYLVJRNOHD-IRXDYDNUSA-N 1 0 382.357 3.720 20 30 GHEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1Cl ZINC000179219806 861086788 /nfs/dbraw/zinc/08/67/88/861086788.db2.gz TYBVVJKQQFMJTE-NRFANRHFSA-N 1 0 397.906 3.539 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000733744198 863139593 /nfs/dbraw/zinc/13/95/93/863139593.db2.gz CBZUIRFIRDPHQS-WMZOPIPTSA-N 1 0 381.524 3.859 20 30 GHEDRO CCCc1c(NC(=O)NCC[NH+]2CCCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439686960 863423184 /nfs/dbraw/zinc/42/31/84/863423184.db2.gz DELNFXVCIYQLJI-UHFFFAOYSA-N 1 0 394.523 3.694 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000594020866 863761299 /nfs/dbraw/zinc/76/12/99/863761299.db2.gz KCSBUEOLLJAAKC-GOSISDBHSA-N 1 0 391.515 3.526 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccnn3CC3CCCCC3)CCC2)cc1 ZINC000594033100 863802701 /nfs/dbraw/zinc/80/27/01/863802701.db2.gz HXXIDUCKXMODBC-UHFFFAOYSA-N 1 0 391.519 3.943 20 30 GHEDRO C[C@@H](OCCCNC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccccc1 ZINC000594032518 863817466 /nfs/dbraw/zinc/81/74/66/863817466.db2.gz VVVAQINTSBONKZ-LJQANCHMSA-N 1 0 391.515 3.811 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCC2)cc1 ZINC000594032608 863820880 /nfs/dbraw/zinc/82/08/80/863820880.db2.gz YBCAEHSSHFPNNX-UHFFFAOYSA-N 1 0 384.823 3.727 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1C#N ZINC000554273001 864025448 /nfs/dbraw/zinc/02/54/48/864025448.db2.gz ABISXMPJFPCZLR-WIYYLYMNSA-N 1 0 397.567 3.589 20 30 GHEDRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609204040 881720805 /nfs/dbraw/zinc/72/08/05/881720805.db2.gz JHTHITRXUQLFBE-FQEVSTJZSA-N 1 0 394.515 3.965 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCc4[nH]c(=O)ccc43)c2)c1 ZINC000067504035 864055817 /nfs/dbraw/zinc/05/58/17/864055817.db2.gz QULTUGHGGCEJNE-QFIPXVFZSA-N 1 0 385.467 3.993 20 30 GHEDRO C=CC[N@H+](Cc1cn(-c2ccccc2)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630701 881729847 /nfs/dbraw/zinc/72/98/47/881729847.db2.gz UBMVFGDSTOKXIC-LJQANCHMSA-N 1 0 399.502 3.906 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000734278002 864114482 /nfs/dbraw/zinc/11/44/82/864114482.db2.gz OBBAEZLACQXSPJ-JOCHJYFZSA-N 1 0 391.515 3.725 20 30 GHEDRO Cc1ccc(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000734362540 864177533 /nfs/dbraw/zinc/17/75/33/864177533.db2.gz QYJLFZHBCATIFU-QGZVFWFLSA-N 1 0 381.549 3.883 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000920134591 881741096 /nfs/dbraw/zinc/74/10/96/881741096.db2.gz CTBZSLAKYXHSQN-GOSISDBHSA-N 1 0 378.472 3.781 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000554389433 864229218 /nfs/dbraw/zinc/22/92/18/864229218.db2.gz PJIKCDUBALVMKB-CZUORRHYSA-N 1 0 396.413 3.590 20 30 GHEDRO CC1CCC([NH+]2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC2)CC1 ZINC000734488765 864252586 /nfs/dbraw/zinc/25/25/86/864252586.db2.gz MLMYXUYGAZDNDB-ABHNRTSZSA-N 1 0 396.560 3.669 20 30 GHEDRO [NH2+]=C(NCCc1nc2cc(Cl)ccc2s1)N[C@@H]1CCOc2ccccc21 ZINC000262445112 864453030 /nfs/dbraw/zinc/45/30/30/864453030.db2.gz DDQGXCOZNOMIPP-CQSZACIVSA-N 1 0 386.908 3.920 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554609229 864604128 /nfs/dbraw/zinc/60/41/28/864604128.db2.gz RZNYSEPQCFANLP-UHFFFAOYSA-N 1 0 385.531 3.751 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000475302099 864738165 /nfs/dbraw/zinc/73/81/65/864738165.db2.gz KGERFKGGQZNRED-IEBWSBKVSA-N 1 0 385.552 3.808 20 30 GHEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 ZINC000475321134 864753917 /nfs/dbraw/zinc/75/39/17/864753917.db2.gz WZXNVZVRUBSNDU-SFHVURJKSA-N 1 0 378.476 3.603 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC000154677127 864778673 /nfs/dbraw/zinc/77/86/73/864778673.db2.gz PRZZDXDYFZSHDT-GGAORHGYSA-N 1 0 389.499 3.694 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)o1 ZINC000184655352 864805399 /nfs/dbraw/zinc/80/53/99/864805399.db2.gz KZQJAADTVUBASD-INIZCTEOSA-N 1 0 387.505 3.706 20 30 GHEDRO C[C@@H](CC1CCOCC1)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475340739 864815692 /nfs/dbraw/zinc/81/56/92/864815692.db2.gz YGISAOQFQYHQTK-UWJYYQICSA-N 1 0 375.944 3.975 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2ccsc2s1 ZINC000735577384 864859935 /nfs/dbraw/zinc/85/99/35/864859935.db2.gz RAPMNLWKNLDUIE-UHFFFAOYSA-N 1 0 385.518 3.825 20 30 GHEDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000842194906 864866372 /nfs/dbraw/zinc/86/63/72/864866372.db2.gz BQRYSCCZIOLIRU-QFIPXVFZSA-N 1 0 376.504 3.839 20 30 GHEDRO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(-c2cccc(F)c2)s1)C(C)C ZINC000063614964 865024231 /nfs/dbraw/zinc/02/42/31/865024231.db2.gz RQEQMFPZLSVGMN-UHFFFAOYSA-N 1 0 389.496 3.776 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccc(C#N)cc1 ZINC000554848963 865039103 /nfs/dbraw/zinc/03/91/03/865039103.db2.gz ULMMGLATHHBLLG-MRXNPFEDSA-N 1 0 397.548 3.536 20 30 GHEDRO CN1CC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000554957908 865243768 /nfs/dbraw/zinc/24/37/68/865243768.db2.gz FZPKYJMTBRZUAL-KBPBESRZSA-N 1 0 388.327 3.514 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000063754368 865276240 /nfs/dbraw/zinc/27/62/40/865276240.db2.gz ADMRTUGVGDUUCZ-UHFFFAOYSA-N 1 0 376.456 3.930 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCC2)cc1 ZINC000594204778 865377864 /nfs/dbraw/zinc/37/78/64/865377864.db2.gz PFLGOCBUTPFMPI-UHFFFAOYSA-N 1 0 388.515 3.901 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccc(F)cc1 ZINC000594211717 865389375 /nfs/dbraw/zinc/38/93/75/865389375.db2.gz NCSJFLNEMIIGRR-FQEVSTJZSA-N 1 0 380.467 3.679 20 30 GHEDRO Cc1cc(C)c(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000063799062 865406876 /nfs/dbraw/zinc/40/68/76/865406876.db2.gz MUSZXUKDSWYLPG-UHFFFAOYSA-N 1 0 390.531 3.901 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000594255656 865621399 /nfs/dbraw/zinc/62/13/99/865621399.db2.gz FBUXCUWXMBRDKO-GRGXKFILSA-N 1 0 394.494 3.749 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000594255999 865622702 /nfs/dbraw/zinc/62/27/02/865622702.db2.gz KUUAVMVYROVYLO-QGZVFWFLSA-N 1 0 381.545 3.827 20 30 GHEDRO N#CCCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000608832446 865735351 /nfs/dbraw/zinc/73/53/51/865735351.db2.gz SORSSIAIMHGXRP-JOCHJYFZSA-N 1 0 379.479 3.605 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000555262749 865794654 /nfs/dbraw/zinc/79/46/54/865794654.db2.gz VFFCBOVOCQAYFJ-CTNGQTDRSA-N 1 0 377.536 3.974 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000555269140 865804467 /nfs/dbraw/zinc/80/44/67/865804467.db2.gz UQDASPZOLGDSBR-MJGOQNOKSA-N 1 0 381.524 3.876 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000739989885 865820266 /nfs/dbraw/zinc/82/02/66/865820266.db2.gz MRZPFERUFKXOFK-WZONZLPQSA-N 1 0 391.515 3.794 20 30 GHEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000739902006 865824709 /nfs/dbraw/zinc/82/47/09/865824709.db2.gz ILOMTKDPPDBAEM-DEOSSOPVSA-N 1 0 399.494 3.743 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)c2)CC1 ZINC000594335173 865875199 /nfs/dbraw/zinc/87/51/99/865875199.db2.gz KEQKEJGPSZEWSA-IBGZPJMESA-N 1 0 390.531 3.906 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000481165505 865903088 /nfs/dbraw/zinc/90/30/88/865903088.db2.gz BYJPZUIRXPAULL-UTKZUKDTSA-N 1 0 387.487 3.608 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609018318 865925027 /nfs/dbraw/zinc/92/50/27/865925027.db2.gz UEXVNVXISOSBHW-NQIIRXRSSA-N 1 0 377.488 3.669 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740483411 865930303 /nfs/dbraw/zinc/93/03/03/865930303.db2.gz ACBODHAMZZOXPR-SFHVURJKSA-N 1 0 382.533 3.959 20 30 GHEDRO C=CCCCCCN(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000740479037 865940305 /nfs/dbraw/zinc/94/03/05/865940305.db2.gz RRQOXYOACMQMFB-UHFFFAOYSA-N 1 0 390.547 3.855 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)CC1 ZINC000740737640 865976215 /nfs/dbraw/zinc/97/62/15/865976215.db2.gz GUUOMZOQIFIQGK-UHFFFAOYSA-N 1 0 381.545 3.573 20 30 GHEDRO C=CCc1cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc(OC)c1O ZINC000555366246 866001008 /nfs/dbraw/zinc/00/10/08/866001008.db2.gz VRQLRDGSDQXSIL-UHFFFAOYSA-N 1 0 390.487 3.875 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H]1[NH+](C)C ZINC000534091472 866118061 /nfs/dbraw/zinc/11/80/61/866118061.db2.gz GYAAGMPDBHGFAA-XLIONFOSSA-N 1 0 397.569 3.827 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+](CCO)[C@@H]3CCCSC3)c2)c1 ZINC000475511382 866134833 /nfs/dbraw/zinc/13/48/33/866134833.db2.gz SAWBRPYOZCMFJR-OAQYLSRUSA-N 1 0 382.529 3.827 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508488552 866148026 /nfs/dbraw/zinc/14/80/26/866148026.db2.gz KDNQKKXRAZJOFE-SFHVURJKSA-N 1 0 392.551 3.704 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C#N)cc3Cl)cc2)CC1 ZINC000494577696 881966799 /nfs/dbraw/zinc/96/67/99/881966799.db2.gz FEWZUCCTHAFGRU-UHFFFAOYSA-N 1 0 382.895 3.994 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183204105 866375378 /nfs/dbraw/zinc/37/53/78/866375378.db2.gz PRLLCCWXGFCDEK-NRFANRHFSA-N 1 0 394.519 3.554 20 30 GHEDRO C=CCn1c(C)cc(C(=O)COC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000741328614 866410664 /nfs/dbraw/zinc/41/06/64/866410664.db2.gz JFRWCUAFDGILAP-UHFFFAOYSA-N 1 0 394.515 3.929 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCC2(c3ccc(Cl)cc3)CCC2)cc1OC ZINC000303988323 866439479 /nfs/dbraw/zinc/43/94/79/866439479.db2.gz WLJICPFUPPNTIV-UHFFFAOYSA-N 1 0 387.911 3.883 20 30 GHEDRO CCCOc1ccc(CNC(=[NH2+])NCCc2cccs2)c(OC(F)F)c1 ZINC000305092113 866550162 /nfs/dbraw/zinc/55/01/62/866550162.db2.gz QCWLJNUACGTMTM-UHFFFAOYSA-N 1 0 383.464 3.785 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000741520267 866568678 /nfs/dbraw/zinc/56/86/78/866568678.db2.gz AYJXGAAKQDFVMV-NRFANRHFSA-N 1 0 382.891 3.919 20 30 GHEDRO C=CCN(C(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CC1 ZINC000553022291 866639214 /nfs/dbraw/zinc/63/92/14/866639214.db2.gz RGEWTRGFQHOBIS-KDURUIRLSA-N 1 0 385.552 3.556 20 30 GHEDRO C=C(C)[C@H](CC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)OCC ZINC000534427295 866739762 /nfs/dbraw/zinc/73/97/62/866739762.db2.gz ZUBRCEPFGOMGPF-UWJYYQICSA-N 1 0 391.531 3.516 20 30 GHEDRO COC(=O)c1cccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000534468579 866847804 /nfs/dbraw/zinc/84/78/04/866847804.db2.gz DGDASAKLDSBDDC-RXVVDRJESA-N 1 0 391.515 3.830 20 30 GHEDRO OC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000534512530 866915858 /nfs/dbraw/zinc/91/58/58/866915858.db2.gz APSGKEJQYBZSOR-MWLCHTKSSA-N 1 0 399.253 3.962 20 30 GHEDRO CCC(=O)N[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444611628 866948940 /nfs/dbraw/zinc/94/89/40/866948940.db2.gz QYXJYKXTHDENTC-QFIPXVFZSA-N 1 0 375.516 3.877 20 30 GHEDRO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444651967 867007797 /nfs/dbraw/zinc/00/77/97/867007797.db2.gz IMIYLCKYHVZVFT-LJQANCHMSA-N 1 0 391.943 3.892 20 30 GHEDRO CCCOc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c(OC(F)F)c1 ZINC000152036975 867144388 /nfs/dbraw/zinc/14/43/88/867144388.db2.gz MEHGDNREGKYXEA-UHFFFAOYSA-N 1 0 386.402 3.886 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508507848 867191711 /nfs/dbraw/zinc/19/17/11/867191711.db2.gz VAGAKFFXNJIXOP-HXUWFJFHSA-N 1 0 395.551 3.664 20 30 GHEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000154213396 867303430 /nfs/dbraw/zinc/30/34/30/867303430.db2.gz BUMIZFLHZQCHGF-QGZVFWFLSA-N 1 0 383.467 3.992 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1C#N ZINC000793295928 882073152 /nfs/dbraw/zinc/07/31/52/882073152.db2.gz NHSSOWNNKYPXKT-HXUWFJFHSA-N 1 0 393.487 3.705 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000553457312 867453525 /nfs/dbraw/zinc/45/35/25/867453525.db2.gz OKUXWKSPLZTMNR-UHFFFAOYSA-N 1 0 384.479 3.757 20 30 GHEDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479284101 867480817 /nfs/dbraw/zinc/48/08/17/867480817.db2.gz MLWBKAKONQZCMQ-QGZVFWFLSA-N 1 0 397.906 3.782 20 30 GHEDRO C[N@H+](CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000523525562 867494153 /nfs/dbraw/zinc/49/41/53/867494153.db2.gz UAZCMTNVQHNSOH-UHFFFAOYSA-N 1 0 381.442 3.621 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2-c2ccc(C)cc2)c1C#N ZINC000534791348 867497106 /nfs/dbraw/zinc/49/71/06/867497106.db2.gz WLYAMOADAWGPII-UHFFFAOYSA-N 1 0 379.489 3.723 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cc(C#N)ccn1 ZINC000553546997 867633472 /nfs/dbraw/zinc/63/34/72/867633472.db2.gz SYVRPGGLNGIJEQ-QFIPXVFZSA-N 1 0 390.531 3.759 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000171060312 882110445 /nfs/dbraw/zinc/11/04/45/882110445.db2.gz CACPGQINIZPBBL-GOSISDBHSA-N 1 0 396.466 3.754 20 30 GHEDRO Cc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000021406073 867825908 /nfs/dbraw/zinc/82/59/08/867825908.db2.gz HHDOMRJVPQFINS-FQEVSTJZSA-N 1 0 390.531 3.710 20 30 GHEDRO CC1CC[NH+](CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000523709760 867843360 /nfs/dbraw/zinc/84/33/60/867843360.db2.gz HPUBSGHSQRTMHQ-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000743147767 867898648 /nfs/dbraw/zinc/89/86/48/867898648.db2.gz SWIHKXJHPMBZCO-OXQOHEQNSA-N 1 0 383.517 3.965 20 30 GHEDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)C1 ZINC000857234000 882132700 /nfs/dbraw/zinc/13/27/00/882132700.db2.gz MWPFHVHKKSYFDU-OAQYLSRUSA-N 1 0 388.515 3.588 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000743203374 867924108 /nfs/dbraw/zinc/92/41/08/867924108.db2.gz GMIFHRRUIUBFBP-IBGZPJMESA-N 1 0 381.451 3.624 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000743202431 867955782 /nfs/dbraw/zinc/95/57/82/867955782.db2.gz HEXJNJDKNJNVIG-UHFFFAOYSA-N 1 0 381.451 3.624 20 30 GHEDRO C=C[C@H](CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000457385261 868208463 /nfs/dbraw/zinc/20/84/63/868208463.db2.gz SDTMKSVYHAPKNQ-LKUPVBHCSA-N 1 0 382.479 3.837 20 30 GHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H](C)C1 ZINC000553782885 868218790 /nfs/dbraw/zinc/21/87/90/868218790.db2.gz LVHJOZMXQAGFFQ-ZWOKBUDYSA-N 1 0 393.487 3.533 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](CC)Cc2cccc(Br)c2)CC1 ZINC000743493521 868238562 /nfs/dbraw/zinc/23/85/62/868238562.db2.gz XGIMOKRDNKAXFB-QGZVFWFLSA-N 1 0 391.353 3.622 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000479639893 868263142 /nfs/dbraw/zinc/26/31/42/868263142.db2.gz BBVFKLMGZYWCBM-GOSISDBHSA-N 1 0 377.529 3.514 20 30 GHEDRO CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCOC2)O1 ZINC000475628927 868398779 /nfs/dbraw/zinc/39/87/79/868398779.db2.gz SYKDNLHECIGQOZ-DEOSSOPVSA-N 1 0 392.499 3.907 20 30 GHEDRO COc1cc2c(cc1C[NH2+][C@@H]1CCCN(c3ccc(C#N)cc3F)C1)O[C@@H](C)C2 ZINC000553901574 868418034 /nfs/dbraw/zinc/41/80/34/868418034.db2.gz MSXOKLCWMIGQNT-HNAYVOBHSA-N 1 0 395.478 3.788 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+]1CCC[C@H](C)C1 ZINC000524128579 868578614 /nfs/dbraw/zinc/57/86/14/868578614.db2.gz BIPNPEZUWAJRQH-DLBZAZTESA-N 1 0 381.476 3.580 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](c2ccccc2OC)N2CCCCC2)ccc1C#N ZINC000440807236 868648277 /nfs/dbraw/zinc/64/82/77/868648277.db2.gz UOMDFHJQILQUDD-OAQYLSRUSA-N 1 0 379.504 3.892 20 30 GHEDRO Cc1nn(C)c2nc(Cl)c(C[NH2+]CCSCc3ccccc3C#N)cc12 ZINC000744267411 868712215 /nfs/dbraw/zinc/71/22/15/868712215.db2.gz JQLHTTLUAMMGOZ-UHFFFAOYSA-N 1 0 385.924 3.825 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000669813802 868748024 /nfs/dbraw/zinc/74/80/24/868748024.db2.gz AYBCVOWTAOMNNW-HXUWFJFHSA-N 1 0 394.567 3.927 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000524260151 868806573 /nfs/dbraw/zinc/80/65/73/868806573.db2.gz JMWXQXOZENMGCI-KBWCOIMZSA-N 1 0 396.535 3.518 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000524268273 868816411 /nfs/dbraw/zinc/81/64/11/868816411.db2.gz DGJDZZMMFYRZPB-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)nc1 ZINC000092002525 882251310 /nfs/dbraw/zinc/25/13/10/882251310.db2.gz HYFCIIJHEIGJRT-UHFFFAOYSA-N 1 0 391.519 3.591 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000535591869 869034715 /nfs/dbraw/zinc/03/47/15/869034715.db2.gz FXQAMYMVDBHSPH-UHFFFAOYSA-N 1 0 380.330 3.648 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)/C=C/c3ccccc3C#N)cc2)C1 ZINC000744746267 869043577 /nfs/dbraw/zinc/04/35/77/869043577.db2.gz LPNJATGHDOVOET-PMQIGOLDSA-N 1 0 375.472 3.931 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CC2([NH+](C)C)CCC2)c1C#N ZINC000445847320 869073772 /nfs/dbraw/zinc/07/37/72/869073772.db2.gz QRISVEVPMOSZOM-UHFFFAOYSA-N 1 0 399.583 3.836 20 30 GHEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H](O)c1c(Cl)cccc1Cl ZINC000793584823 882289478 /nfs/dbraw/zinc/28/94/78/882289478.db2.gz SPLVABSLVSFKNX-BBATYDOGSA-N 1 0 375.259 3.724 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1 ZINC000609095475 869415874 /nfs/dbraw/zinc/41/58/74/869415874.db2.gz WDKRRHOZHIHJAG-XZOQPEGZSA-N 1 0 390.531 3.726 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000793603431 882309711 /nfs/dbraw/zinc/30/97/11/882309711.db2.gz AMQNPCCSVARCJA-JTSKRJEESA-N 1 0 385.508 3.810 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609099750 869529873 /nfs/dbraw/zinc/52/98/73/869529873.db2.gz PHVCBWPQPLJDPT-HSZRJFAPSA-N 1 0 390.531 3.685 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000446433990 869840190 /nfs/dbraw/zinc/84/01/90/869840190.db2.gz WZHYJDXJENJUNC-UHFFFAOYSA-N 1 0 390.443 3.543 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)C(C)C ZINC000191084075 882354488 /nfs/dbraw/zinc/35/44/88/882354488.db2.gz CAHQMZCGDNYSBO-JOCHJYFZSA-N 1 0 397.563 3.963 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000539896916 869986249 /nfs/dbraw/zinc/98/62/49/869986249.db2.gz UEUHSXGUHCDQTO-HXUWFJFHSA-N 1 0 387.487 3.641 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540047366 870255478 /nfs/dbraw/zinc/25/54/78/870255478.db2.gz LQIOTGYFDLGPKZ-UHFFFAOYSA-N 1 0 395.484 3.509 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001192272624 870255852 /nfs/dbraw/zinc/25/58/52/870255852.db2.gz GQAWKUOXXDCWNQ-IYARVYRRSA-N 1 0 381.451 3.618 20 30 GHEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000092645216 882410076 /nfs/dbraw/zinc/41/00/76/882410076.db2.gz HVQXNLAWCATEEW-UHFFFAOYSA-N 1 0 392.547 3.903 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@H]1C ZINC000525395744 870606690 /nfs/dbraw/zinc/60/66/90/870606690.db2.gz DTPFAVNLKKUQJX-AEFFLSMTSA-N 1 0 381.476 3.675 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1csc(Br)c1 ZINC000525422926 870686662 /nfs/dbraw/zinc/68/66/62/870686662.db2.gz HEBYMESSOIDBHR-UHFFFAOYSA-N 1 0 381.295 3.902 20 30 GHEDRO C#CCNC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC001192910447 870764914 /nfs/dbraw/zinc/76/49/14/870764914.db2.gz UBKOIJJOOZMKGH-UHFFFAOYSA-N 1 0 385.305 3.591 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000766492772 870818095 /nfs/dbraw/zinc/81/80/95/870818095.db2.gz WIAZVYOCNYJJKR-UKRRQHHQSA-N 1 0 387.842 3.665 20 30 GHEDRO C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000455918501 870841666 /nfs/dbraw/zinc/84/16/66/870841666.db2.gz KYKWTCDITIRSPW-INIZCTEOSA-N 1 0 395.482 3.526 20 30 GHEDRO COc1ccc(CN2CC[C@H]([NH2+]C(C)(C)c3ccc(C#N)cc3)CC2=O)cc1 ZINC001168893118 870936126 /nfs/dbraw/zinc/93/61/26/870936126.db2.gz NWYMNWXGTLOVLH-FQEVSTJZSA-N 1 0 377.488 3.583 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000092938983 882458728 /nfs/dbraw/zinc/45/87/28/882458728.db2.gz QEJBPBJEXJUAGO-GOSISDBHSA-N 1 0 379.460 3.684 20 30 GHEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CN1C(=O)OC(C)(C)C ZINC001168874993 870958222 /nfs/dbraw/zinc/95/82/22/870958222.db2.gz XDTWXZACRUZGOQ-QRQLOZEOSA-N 1 0 385.508 3.799 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](CC)Cc1ccc3c(c1)OCO3)C2 ZINC001170438969 882468254 /nfs/dbraw/zinc/46/82/54/882468254.db2.gz WVMPTAZEHIGJMY-AUSIDOKSSA-N 1 0 384.520 3.770 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000766553366 871034119 /nfs/dbraw/zinc/03/41/19/871034119.db2.gz RADFOCPGRYEXQR-PKNBQFBNSA-N 1 0 386.536 3.854 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2c(F)cccc2F)c(OC)c1 ZINC000540332244 871039626 /nfs/dbraw/zinc/03/96/26/871039626.db2.gz DKXZDPPNZFECNQ-HOCLYGCPSA-N 1 0 377.431 3.792 20 30 GHEDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)cc1 ZINC000181539050 871162216 /nfs/dbraw/zinc/16/22/16/871162216.db2.gz OWVLKEKOZMKVQS-XXBNENTESA-N 1 0 379.504 3.622 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H](CC)Cc1ccc3c(c1)OCO3)CCO2 ZINC001170439746 882486414 /nfs/dbraw/zinc/48/64/14/882486414.db2.gz APUWBMGFHZGULK-ZRCGQRJVSA-N 1 0 387.520 3.810 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc(C(F)(F)F)nc1C)C(C)C ZINC000461893877 871225495 /nfs/dbraw/zinc/22/54/95/871225495.db2.gz GQSJORQHSABPAG-ZDUSSCGKSA-N 1 0 375.460 3.899 20 30 GHEDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000539087049 871235271 /nfs/dbraw/zinc/23/52/71/871235271.db2.gz QIUKSUCQCAJFHT-KRWDZBQOSA-N 1 0 388.433 3.784 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000539080420 871274826 /nfs/dbraw/zinc/27/48/26/871274826.db2.gz TYMHVUNBJVHPME-UHFFFAOYSA-N 1 0 376.504 3.902 20 30 GHEDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000443343726 871284893 /nfs/dbraw/zinc/28/48/93/871284893.db2.gz HFIGEMRRAFYDOE-VKJFTORMSA-N 1 0 389.565 3.699 20 30 GHEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000540434387 871302684 /nfs/dbraw/zinc/30/26/84/871302684.db2.gz KCQSQDYQIZQKNO-NRFANRHFSA-N 1 0 379.504 3.950 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(C#N)cc2OC)CC1 ZINC000181635269 871318344 /nfs/dbraw/zinc/31/83/44/871318344.db2.gz LGDGZMFQWNXKFE-KRWDZBQOSA-N 1 0 396.510 3.699 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000463273533 871342427 /nfs/dbraw/zinc/34/24/27/871342427.db2.gz MBYDHKVVUUVHGW-AUSIDOKSSA-N 1 0 388.515 3.776 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000181685654 871375796 /nfs/dbraw/zinc/37/57/96/871375796.db2.gz LOXFVTGZHHNHRH-HNNXBMFYSA-N 1 0 391.562 3.544 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000539132282 871387303 /nfs/dbraw/zinc/38/73/03/871387303.db2.gz LSJSMAUJJHPDLH-UHFFFAOYSA-N 1 0 394.475 3.919 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCN(c4cccc(F)c4)C3)CC2)cc1 ZINC000181763344 871457590 /nfs/dbraw/zinc/45/75/90/871457590.db2.gz XAKCQDBAXGDNHX-HSZRJFAPSA-N 1 0 392.522 3.920 20 30 GHEDRO C[N@H+]1CC=C(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000540543796 871534858 /nfs/dbraw/zinc/53/48/58/871534858.db2.gz JGXRHUJVBHEOES-UHFFFAOYSA-N 1 0 381.863 3.996 20 30 GHEDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000447402808 871540221 /nfs/dbraw/zinc/54/02/21/871540221.db2.gz AXZMTIWUQPJOEY-GOSISDBHSA-N 1 0 387.487 3.554 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](CC)Cc1ccc3c(c1)OCO3)CC2 ZINC001170441724 882521502 /nfs/dbraw/zinc/52/15/02/882521502.db2.gz KFBLHQAYBMFGCV-XXBNENTESA-N 1 0 384.520 3.770 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H](CC)Cc1ccc3c(c1)OCO3)C2 ZINC001170441718 882521674 /nfs/dbraw/zinc/52/16/74/882521674.db2.gz JZEFELQNKOWRAS-UEVCKROQSA-N 1 0 387.520 3.810 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000539259281 871615132 /nfs/dbraw/zinc/61/51/32/871615132.db2.gz BXPLREXSIDZTRW-GOSISDBHSA-N 1 0 380.414 3.648 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169592475 871654663 /nfs/dbraw/zinc/65/46/63/871654663.db2.gz USFZEGQDCGXQQI-UHFFFAOYSA-N 1 0 377.673 3.912 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000539297903 871663593 /nfs/dbraw/zinc/66/35/93/871663593.db2.gz POGWVCWYNZFJAM-ROUUACIJSA-N 1 0 394.581 3.523 20 30 GHEDRO N#Cc1cc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)ccn1 ZINC000618545332 871695161 /nfs/dbraw/zinc/69/51/61/871695161.db2.gz JNCMIISDGYPATI-UHFFFAOYSA-N 1 0 377.366 3.647 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CCCN(C(=O)c4ccccc4)C3)C2)c1 ZINC001169784657 871880643 /nfs/dbraw/zinc/88/06/43/871880643.db2.gz NOXJJRGDWDIKGY-JTHBVZDNSA-N 1 0 389.499 3.706 20 30 GHEDRO CC[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000618797724 872003635 /nfs/dbraw/zinc/00/36/35/872003635.db2.gz QMIORVUMBALZFJ-FYYLOGMGSA-N 1 0 388.515 3.682 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+]2CCCC2)o1 ZINC000618810847 872017327 /nfs/dbraw/zinc/01/73/27/872017327.db2.gz KDAVEAOSLPQYIN-WOJBJXKFSA-N 1 0 378.476 3.583 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618821506 872029505 /nfs/dbraw/zinc/02/95/05/872029505.db2.gz ZYYVTSBSNHCVIL-ZQMYSKGWSA-N 1 0 388.515 3.755 20 30 GHEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000477858976 872031434 /nfs/dbraw/zinc/03/14/34/872031434.db2.gz LDTAIPBLZINZKF-SFTDATJTSA-N 1 0 383.536 3.830 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618854226 872081424 /nfs/dbraw/zinc/08/14/24/872081424.db2.gz TXXDHQUNXCMBTK-QFIPXVFZSA-N 1 0 376.504 3.627 20 30 GHEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)c1 ZINC001195083845 872160685 /nfs/dbraw/zinc/16/06/85/872160685.db2.gz ICRUXMUFONVLMM-KJXAQDMKSA-N 1 0 389.499 3.940 20 30 GHEDRO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000526136120 872167097 /nfs/dbraw/zinc/16/70/97/872167097.db2.gz LODRCGIARUTLNQ-GGAORHGYSA-N 1 0 389.499 3.788 20 30 GHEDRO CC1(C)CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@@H]1C#N ZINC000552191348 872219378 /nfs/dbraw/zinc/21/93/78/872219378.db2.gz AQBAUOIRWGFIPS-ZWKOTPCHSA-N 1 0 375.463 3.685 20 30 GHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000763521417 872236878 /nfs/dbraw/zinc/23/68/78/872236878.db2.gz RFROOWLGYSLEGD-RJFPACLCSA-N 1 0 397.563 3.776 20 30 GHEDRO COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000552244736 872299777 /nfs/dbraw/zinc/29/97/77/872299777.db2.gz IQQQCAPRNDDBPC-CZUORRHYSA-N 1 0 387.480 3.865 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)c2cc(C)cc(C#N)c2)CC3)cs1 ZINC001195411198 872371262 /nfs/dbraw/zinc/37/12/62/872371262.db2.gz GESYGASGEAODBT-UHFFFAOYSA-N 1 0 394.544 3.902 20 30 GHEDRO COc1ccc(Br)cc1C1([NH2+]C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001195423781 872411978 /nfs/dbraw/zinc/41/19/78/872411978.db2.gz FXIJHOBCSVJUEZ-QGZVFWFLSA-N 1 0 387.277 3.642 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478051937 872430661 /nfs/dbraw/zinc/43/06/61/872430661.db2.gz FWRLKZGCCSIZCX-AVRDEDQJSA-N 1 0 383.536 3.749 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000921124652 882617184 /nfs/dbraw/zinc/61/71/84/882617184.db2.gz FQYFQQVAVXQKBF-HNNXBMFYSA-N 1 0 388.737 3.931 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)cc1 ZINC001195728474 872580220 /nfs/dbraw/zinc/58/02/20/872580220.db2.gz GRBAPXYWYOSOGD-ACRUOGEOSA-N 1 0 389.543 3.980 20 30 GHEDRO CN(CCC[NH+]1CCC(Cc2ccccc2)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC001195876854 872732006 /nfs/dbraw/zinc/73/20/06/872732006.db2.gz OIKHWSHSQVEQJH-VWLOTQADSA-N 1 0 391.559 3.868 20 30 GHEDRO C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C#N)cc1 ZINC000527156567 872740595 /nfs/dbraw/zinc/74/05/95/872740595.db2.gz FRZVZUQGXYEAFY-TZYSRNFLSA-N 1 0 394.441 3.724 20 30 GHEDRO CC[NH+](CC)CCCC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000182779859 872768170 /nfs/dbraw/zinc/76/81/70/872768170.db2.gz NPJCWOPNURBBRK-IBGZPJMESA-N 1 0 388.581 3.559 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000152696191 872788203 /nfs/dbraw/zinc/78/82/03/872788203.db2.gz OMDGJEGWVKMPFJ-FQEVSTJZSA-N 1 0 383.879 3.918 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NCc3cccc(Cl)c3)CC2)c1 ZINC001195999211 872798637 /nfs/dbraw/zinc/79/86/37/872798637.db2.gz CIYLFDQHHAACSF-UHFFFAOYSA-N 1 0 398.963 3.840 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CCc3nccn3CC2)cc1 ZINC001196159230 872919151 /nfs/dbraw/zinc/91/91/51/872919151.db2.gz ZBXMTDGRHDQFAH-UHFFFAOYSA-N 1 0 388.496 3.746 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC001196312839 873007077 /nfs/dbraw/zinc/00/70/77/873007077.db2.gz HQOVFHMQMHZKHC-UHFFFAOYSA-N 1 0 382.508 3.991 20 30 GHEDRO C[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158592 873044499 /nfs/dbraw/zinc/04/44/99/873044499.db2.gz ILHZNLHNIVGVSN-KRWDZBQOSA-N 1 0 385.471 3.514 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cnn1-c1ccc(F)cc1 ZINC000182994699 873071159 /nfs/dbraw/zinc/07/11/59/873071159.db2.gz RYJUMSQFOVNZED-HZPDHXFCSA-N 1 0 397.498 3.702 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2ccc(C)nc2)CC1)C(C)C ZINC000541180457 873100177 /nfs/dbraw/zinc/10/01/77/873100177.db2.gz ULULONWIDMLUOX-JOCHJYFZSA-N 1 0 384.568 3.978 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1ccc(OC(C)C)c(C#N)c1)CCC(F)(F)F ZINC000494626672 882695881 /nfs/dbraw/zinc/69/58/81/882695881.db2.gz RWTNBWGHSGQFHO-UHFFFAOYSA-N 1 0 386.418 3.741 20 30 GHEDRO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001196535191 873187173 /nfs/dbraw/zinc/18/71/73/873187173.db2.gz JBHHTXPMMCLQJK-MRXNPFEDSA-N 1 0 396.922 3.793 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CC(C)(C)N(O)C(C)(C)C1)CC2 ZINC001169992180 873292031 /nfs/dbraw/zinc/29/20/31/873292031.db2.gz KSCAUSMRQFBYER-UHFFFAOYSA-N 1 0 393.572 3.898 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000541380802 873481865 /nfs/dbraw/zinc/48/18/65/873481865.db2.gz SCVHKXSUJMEKCJ-IFMALSPDSA-N 1 0 384.524 3.577 20 30 GHEDRO C#CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000768863945 873666468 /nfs/dbraw/zinc/66/64/68/873666468.db2.gz WHJZGCZLCDLSBA-UHFFFAOYSA-N 1 0 398.890 3.908 20 30 GHEDRO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(-c2ccccc2)n(C)n1 ZINC000527888117 873718160 /nfs/dbraw/zinc/71/81/60/873718160.db2.gz QWOQXTRRNOHXFT-UWJYYQICSA-N 1 0 399.498 3.805 20 30 GHEDRO O=C(C[NH2+][C@@H](c1cccs1)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000541582629 873873118 /nfs/dbraw/zinc/87/31/18/873873118.db2.gz MSOJHDJJGKUFSN-LJQANCHMSA-N 1 0 392.446 3.976 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000769233162 873909295 /nfs/dbraw/zinc/90/92/95/873909295.db2.gz OENFJRCZACZGLO-KRWDZBQOSA-N 1 0 388.471 3.700 20 30 GHEDRO COCOc1ccc(OC)cc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000769325802 873967367 /nfs/dbraw/zinc/96/73/67/873967367.db2.gz BJSOCEJJCSZTGP-UHFFFAOYSA-N 1 0 382.460 3.593 20 30 GHEDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(Br)cc1C#N ZINC000448810718 873977352 /nfs/dbraw/zinc/97/73/52/873977352.db2.gz JELNEJRVBCGEIL-UHFFFAOYSA-N 1 0 378.314 3.657 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Cl)c(Br)cc1F ZINC000448801172 874006655 /nfs/dbraw/zinc/00/66/55/874006655.db2.gz OMUZHDWWZDSITK-UHFFFAOYSA-N 1 0 390.684 3.549 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1OC ZINC000769422302 874040120 /nfs/dbraw/zinc/04/01/20/874040120.db2.gz AHOGPKWICIETQP-SJLPKXTDSA-N 1 0 390.524 3.995 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000448875471 874107876 /nfs/dbraw/zinc/10/78/76/874107876.db2.gz RZOGGLXDCYZZGT-UHFFFAOYSA-N 1 0 379.504 3.939 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000448919960 874207884 /nfs/dbraw/zinc/20/78/84/874207884.db2.gz DRMXUOHITPBWRX-UHFFFAOYSA-N 1 0 377.699 3.792 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528327260 874405851 /nfs/dbraw/zinc/40/58/51/874405851.db2.gz BZTJIKDVTDEWRE-UHFFFAOYSA-N 1 0 395.551 3.521 20 30 GHEDRO CC(C)[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](O)COc1ccccc1 ZINC000770044751 874422146 /nfs/dbraw/zinc/42/21/46/874422146.db2.gz SWGFLMGSSGXWAU-IBGZPJMESA-N 1 0 388.895 3.893 20 30 GHEDRO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464788362 874501113 /nfs/dbraw/zinc/50/11/13/874501113.db2.gz JNQZWDFUWRQCOA-JOCHJYFZSA-N 1 0 381.495 3.903 20 30 GHEDRO CN(C)c1ccc(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000775882478 874517567 /nfs/dbraw/zinc/51/75/67/874517567.db2.gz ICZUWLCBMXNPPU-UHFFFAOYSA-N 1 0 376.504 3.832 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000528406598 874529856 /nfs/dbraw/zinc/52/98/56/874529856.db2.gz OUXRLJYGXMZFEI-ZWKOTPCHSA-N 1 0 397.544 3.513 20 30 GHEDRO N#CCC1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000541917535 874561959 /nfs/dbraw/zinc/56/19/59/874561959.db2.gz TUAJWAQPWGYGEX-UHFFFAOYSA-N 1 0 388.943 3.887 20 30 GHEDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000464826770 874587834 /nfs/dbraw/zinc/58/78/34/874587834.db2.gz HJXAGTYWWHISMT-UZLBHIALSA-N 1 0 375.538 3.572 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464840879 874611935 /nfs/dbraw/zinc/61/19/35/874611935.db2.gz WEITUKNOFKHLIV-LJQANCHMSA-N 1 0 379.504 3.542 20 30 GHEDRO Cc1cccc2nc(C3CC[NH+](C[C@H](O)COc4ccccc4C#N)CC3)oc21 ZINC000528471191 874613263 /nfs/dbraw/zinc/61/32/63/874613263.db2.gz JKWGPQJUDJESPM-IBGZPJMESA-N 1 0 391.471 3.627 20 30 GHEDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000509460634 874617419 /nfs/dbraw/zinc/61/74/19/874617419.db2.gz AOLXZOMMQPKGKO-ZWKOTPCHSA-N 1 0 379.504 3.670 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000449287451 874671812 /nfs/dbraw/zinc/67/18/12/874671812.db2.gz KTOMNWYTSXSGNF-BFHRDPOASA-N 1 0 376.298 3.616 20 30 GHEDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000541982990 874704810 /nfs/dbraw/zinc/70/48/10/874704810.db2.gz DHWDMSVIPNJBGT-UZLBHIALSA-N 1 0 397.544 3.762 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528582295 874741174 /nfs/dbraw/zinc/74/11/74/874741174.db2.gz OHJHJTYNFLPCIV-KRWDZBQOSA-N 1 0 388.556 3.795 20 30 GHEDRO COCCc1noc(CC2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000528619396 874803015 /nfs/dbraw/zinc/80/30/15/874803015.db2.gz OTRHAVZBLDZNJF-UHFFFAOYSA-N 1 0 382.508 3.514 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1OC ZINC000178235541 882877629 /nfs/dbraw/zinc/87/76/29/882877629.db2.gz BWUHWFKEVHKHGF-ICSRJNTNSA-N 1 0 399.535 3.647 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000770995074 874987418 /nfs/dbraw/zinc/98/74/18/874987418.db2.gz YJHYFOXRUIHMJM-HNNXBMFYSA-N 1 0 377.326 3.547 20 30 GHEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000528754570 875015744 /nfs/dbraw/zinc/01/57/44/875015744.db2.gz NNEQTTKCOGXVIL-ZYKCCNLVSA-N 1 0 375.538 3.619 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000134436293 882887664 /nfs/dbraw/zinc/88/76/64/882887664.db2.gz SBOWIIZUUFMPNP-IBGZPJMESA-N 1 0 391.515 3.811 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC000775992888 875085110 /nfs/dbraw/zinc/08/51/10/875085110.db2.gz LMLRYHHZOWTAGH-HNNXBMFYSA-N 1 0 392.343 3.770 20 30 GHEDRO N#Cc1cc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)cs1 ZINC001199689556 875130053 /nfs/dbraw/zinc/13/00/53/875130053.db2.gz XENYEMDEEAVZRD-CYBMUJFWSA-N 1 0 376.323 3.998 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1O ZINC000449647980 875170068 /nfs/dbraw/zinc/17/00/68/875170068.db2.gz RESBAAVUMYRLJE-JKSUJKDBSA-N 1 0 380.488 3.585 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001199951924 875269174 /nfs/dbraw/zinc/26/91/74/875269174.db2.gz MPTLLQPFPXHCIN-SJLPKXTDSA-N 1 0 386.540 3.749 20 30 GHEDRO N#CC(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)c1ccccn1 ZINC000528920284 875272543 /nfs/dbraw/zinc/27/25/43/875272543.db2.gz NKBSLQRZQLQBPR-IPMKNSEASA-N 1 0 388.496 3.630 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000776093466 875329962 /nfs/dbraw/zinc/32/99/62/875329962.db2.gz PDTYYILRYZGYGX-AZUAARDMSA-N 1 0 377.488 3.873 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001201299612 875618247 /nfs/dbraw/zinc/61/82/47/875618247.db2.gz WPAUZTFNKKUGMJ-IBGZPJMESA-N 1 0 375.488 3.716 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001201314645 875626169 /nfs/dbraw/zinc/62/61/69/875626169.db2.gz NZFJMALSQWDVBR-HKUYNNGSSA-N 1 0 395.478 3.727 20 30 GHEDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000271848639 875704631 /nfs/dbraw/zinc/70/46/31/875704631.db2.gz IFSYOIBMIFWOKI-MHECFPHRSA-N 1 0 393.531 3.897 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C#N ZINC000529209842 875830191 /nfs/dbraw/zinc/83/01/91/875830191.db2.gz BIHABZWMUINSPK-ROUUACIJSA-N 1 0 384.524 3.823 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000271876883 875841386 /nfs/dbraw/zinc/84/13/86/875841386.db2.gz OIXSYSFTEZUCSR-JTHBVZDNSA-N 1 0 399.485 3.903 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CCC(C)(O)CC1 ZINC000925225116 875841521 /nfs/dbraw/zinc/84/15/21/875841521.db2.gz MUPUMPPRERJBJP-ZRZPHAQCSA-N 1 0 379.545 3.589 20 30 GHEDRO CCCCCCCC[N@@H+]1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001201826490 875892300 /nfs/dbraw/zinc/89/23/00/875892300.db2.gz XXMSPPJJRGBDRT-JOCHJYFZSA-N 1 0 386.540 3.669 20 30 GHEDRO CCCCCCCCC[N@@H+]1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001201846289 875901047 /nfs/dbraw/zinc/90/10/47/875901047.db2.gz GFYWFSRYZPJDQV-QHCPKHFHSA-N 1 0 389.584 3.735 20 30 GHEDRO CCCCCCCCC[NH+]1CCC2(CN(CCOC)C(=O)[C@H]2COC)CC1 ZINC001201846903 875901213 /nfs/dbraw/zinc/90/12/13/875901213.db2.gz OWTZXHQOPBNRMI-HXUWFJFHSA-N 1 0 382.589 3.570 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1 ZINC000913739915 875977066 /nfs/dbraw/zinc/97/70/66/875977066.db2.gz IPZUZOHKQHLZCY-UHFFFAOYSA-N 1 0 377.488 3.628 20 30 GHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000772507362 875991049 /nfs/dbraw/zinc/99/10/49/875991049.db2.gz NRUHPJGOJUZXRO-UHFFFAOYSA-N 1 0 395.956 3.535 20 30 GHEDRO N#C[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC12CCCC2 ZINC000450196459 876060486 /nfs/dbraw/zinc/06/04/86/876060486.db2.gz BOMOLUCPAIVDDV-HFMPRLQTSA-N 1 0 377.532 3.974 20 30 GHEDRO COc1ccccc1C[C@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC001202213837 876061872 /nfs/dbraw/zinc/06/18/72/876061872.db2.gz QVPTULWIAJUKFK-KRWDZBQOSA-N 1 0 375.476 3.588 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2c(C)cccc2C)cc1 ZINC000151907034 876089180 /nfs/dbraw/zinc/08/91/80/876089180.db2.gz GMUZDBVYJSRQHJ-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000443865156 876110369 /nfs/dbraw/zinc/11/03/69/876110369.db2.gz AJVNCICXWNQKDR-QIJUGHKUSA-N 1 0 385.552 3.822 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@H](C)c2ccccc2)cc1 ZINC000151929399 876168635 /nfs/dbraw/zinc/16/86/35/876168635.db2.gz HCXUOJGDCULCKS-MRXNPFEDSA-O 1 0 393.536 3.560 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000450335197 876304471 /nfs/dbraw/zinc/30/44/71/876304471.db2.gz WTLGKHAQICBKBC-LSDHHAIUSA-N 1 0 377.330 3.807 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)n2C)cc1)C[C@H]1CCCCO1 ZINC000450398909 876378607 /nfs/dbraw/zinc/37/86/07/876378607.db2.gz BBINTIXPCYWWDX-OAQYLSRUSA-N 1 0 394.519 3.929 20 30 GHEDRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000609334704 883030228 /nfs/dbraw/zinc/03/02/28/883030228.db2.gz BUIZXIATBXZYAS-UHFFFAOYSA-N 1 0 385.515 3.925 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000776428970 876468052 /nfs/dbraw/zinc/46/80/52/876468052.db2.gz BFCCYXODALXHCP-FLIBITNWSA-N 1 0 380.492 3.707 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000450477453 876492270 /nfs/dbraw/zinc/49/22/70/876492270.db2.gz BAGMGZRQSRAPQO-UGKGYDQZSA-N 1 0 378.516 3.821 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000450477450 876492381 /nfs/dbraw/zinc/49/23/81/876492381.db2.gz BAGMGZRQSRAPQO-DENIHFKCSA-N 1 0 378.516 3.821 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCSC1 ZINC000443919430 876726251 /nfs/dbraw/zinc/72/62/51/876726251.db2.gz NDZOPKWHIKIOFP-NRFANRHFSA-N 1 0 396.516 3.909 20 30 GHEDRO N#Cc1sc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)nc1Cl ZINC000804593723 883072799 /nfs/dbraw/zinc/07/27/99/883072799.db2.gz RTNMCLQVLQNFGH-UHFFFAOYSA-N 1 0 376.913 3.797 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc(C(C)=O)ccc3C#N)CC2)cc1 ZINC000450790612 876895211 /nfs/dbraw/zinc/89/52/11/876895211.db2.gz YXPOAJNKOWORJF-UHFFFAOYSA-N 1 0 390.487 3.796 20 30 GHEDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccc(C#N)cc2)c1O ZINC000850487915 876963936 /nfs/dbraw/zinc/96/39/36/876963936.db2.gz KDBUXXMPGQKRMJ-LBPRGKRZSA-N 1 0 375.266 3.928 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1 ZINC000450866758 876995533 /nfs/dbraw/zinc/99/55/33/876995533.db2.gz UBVITUZSNIWQIL-SXLOBPIMSA-N 1 0 387.911 3.524 20 30 GHEDRO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ncc1C#N ZINC000530032888 876998443 /nfs/dbraw/zinc/99/84/43/876998443.db2.gz LBLBVEOQEOHDNN-KRWDZBQOSA-N 1 0 377.275 3.601 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CCCC3)CC2)nc1-c1cccs1 ZINC000152139615 877013058 /nfs/dbraw/zinc/01/30/58/877013058.db2.gz NMEXYHSTJWCCSZ-UHFFFAOYSA-N 1 0 389.594 3.846 20 30 GHEDRO CN(c1nc(C(F)(F)F)ccc1C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450953087 877122982 /nfs/dbraw/zinc/12/29/82/877122982.db2.gz WXRDQBDYRJLDHH-UHFFFAOYSA-N 1 0 380.336 3.825 20 30 GHEDRO C=C(C)COc1cc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1OC ZINC000136565859 877258292 /nfs/dbraw/zinc/25/82/92/877258292.db2.gz PWGTXAPQFPIQJE-NHCUHLMSSA-N 1 0 388.552 3.508 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000272079107 877314248 /nfs/dbraw/zinc/31/42/48/877314248.db2.gz AHQCXCXLRUUDIJ-OAHLLOKOSA-N 1 0 397.548 3.800 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000530231665 877333883 /nfs/dbraw/zinc/33/38/83/877333883.db2.gz SMHUFZHMAGKZMM-LPHOPBHVSA-N 1 0 388.414 3.567 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735795 877369358 /nfs/dbraw/zinc/36/93/58/877369358.db2.gz XKNRWHCXCUTYOP-WSTZPKSXSA-N 1 0 399.535 3.590 20 30 GHEDRO COCc1csc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000851110122 877417633 /nfs/dbraw/zinc/41/76/33/877417633.db2.gz WJVUJMYYUCKTRW-UHFFFAOYSA-N 1 0 384.501 3.857 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)NCC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001183092078 912234181 /nfs/dbraw/zinc/23/41/81/912234181.db2.gz UNQDXZFSBGVWCW-UHFFFAOYSA-N 1 0 377.479 3.588 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001183076325 912235217 /nfs/dbraw/zinc/23/52/17/912235217.db2.gz XRLMWZRUQCKVGY-UHFFFAOYSA-N 1 0 393.203 3.938 20 30 GHEDRO Cc1cc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)ccc1C#N ZINC000443990826 877447066 /nfs/dbraw/zinc/44/70/66/877447066.db2.gz RZVURRFYNVANGR-SFHVURJKSA-N 1 0 389.377 3.660 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@H](CC)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000787547919 877468227 /nfs/dbraw/zinc/46/82/27/877468227.db2.gz JIXRZIWRTKCAAG-INIZCTEOSA-N 1 0 397.346 3.954 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000451153687 877470786 /nfs/dbraw/zinc/47/07/86/877470786.db2.gz IVQBXCVBUKWCQQ-FQEVSTJZSA-N 1 0 397.563 3.956 20 30 GHEDRO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451188211 877547584 /nfs/dbraw/zinc/54/75/84/877547584.db2.gz HLBUFUXMIVALQF-HZPDHXFCSA-N 1 0 393.272 3.599 20 30 GHEDRO Cc1cccc(N2CCN(CCC[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000237593197 877642487 /nfs/dbraw/zinc/64/24/87/877642487.db2.gz VMVWYJLGEFDPLD-OAQYLSRUSA-N 1 0 392.547 3.588 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1OCC ZINC000192771024 877712434 /nfs/dbraw/zinc/71/24/34/877712434.db2.gz BMUFODNQNBGHNR-AWEZNQCLSA-N 1 0 385.464 3.855 20 30 GHEDRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551802314 877817498 /nfs/dbraw/zinc/81/74/98/877817498.db2.gz CWCSZHIYLMOQOP-YJYMSZOUSA-N 1 0 399.292 3.834 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000477592321 877905795 /nfs/dbraw/zinc/90/57/95/877905795.db2.gz QSTWFEJUTDWGMD-GOSISDBHSA-N 1 0 382.552 3.741 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451427278 877959852 /nfs/dbraw/zinc/95/98/52/877959852.db2.gz WUHACJXMJDWBAK-PSBWJHGTSA-N 1 0 387.549 3.645 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)cc1C#N ZINC000746740304 877999145 /nfs/dbraw/zinc/99/91/45/877999145.db2.gz FITVZZVOKQZCPN-KRWDZBQOSA-N 1 0 386.293 3.698 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1 ZINC000615807070 878128922 /nfs/dbraw/zinc/12/89/22/878128922.db2.gz ALSGVQOJJNTMJZ-UHFFFAOYSA-N 1 0 376.287 3.899 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000615830201 878147222 /nfs/dbraw/zinc/14/72/22/878147222.db2.gz ICFWZIAKAHHLMU-UHFFFAOYSA-N 1 0 381.480 3.941 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460548522 878159148 /nfs/dbraw/zinc/15/91/48/878159148.db2.gz HLXFDYAOYXSAIH-UHFFFAOYSA-N 1 0 377.492 3.827 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000451607404 878205983 /nfs/dbraw/zinc/20/59/83/878205983.db2.gz QAOOFNNLBOTLNL-QRQLOZEOSA-N 1 0 399.878 3.544 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000451608103 878207952 /nfs/dbraw/zinc/20/79/52/878207952.db2.gz MIVCXKFCGRXDKM-IPELMVKDSA-N 1 0 383.517 3.634 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](Cc3ccncc3C#N)C2)CC1 ZINC000852301870 878216252 /nfs/dbraw/zinc/21/62/52/878216252.db2.gz ZLJSDDIGXZQLAQ-GOSISDBHSA-N 1 0 384.524 3.812 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000451600941 878227320 /nfs/dbraw/zinc/22/73/20/878227320.db2.gz SQVPTVZKAHUKAG-HBFSDRIKSA-N 1 0 386.879 3.962 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460588691 878235212 /nfs/dbraw/zinc/23/52/12/878235212.db2.gz YJTFHEZAGDTMOK-FPOVZHCZSA-N 1 0 397.567 3.880 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1C#N ZINC000451697156 878317668 /nfs/dbraw/zinc/31/76/68/878317668.db2.gz QMXUJRINXQWZLE-QWFCFKBJSA-N 1 0 398.551 3.513 20 30 GHEDRO N#CCOc1ccc(CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000110628757 878332357 /nfs/dbraw/zinc/33/23/57/878332357.db2.gz BNZBXXHUZMWZOP-OAQYLSRUSA-N 1 0 397.906 3.738 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(F)c1 ZINC000852474176 878355898 /nfs/dbraw/zinc/35/58/98/878355898.db2.gz UDYXHDQTEKPLCI-WMZOPIPTSA-N 1 0 397.416 3.853 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000180067257 878460727 /nfs/dbraw/zinc/46/07/27/878460727.db2.gz FSHFJWLYNDLOQZ-LEWJYISDSA-N 1 0 376.460 3.666 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460780193 878550532 /nfs/dbraw/zinc/55/05/32/878550532.db2.gz GIHIJDCIWUEYNB-UHFFFAOYSA-N 1 0 377.895 3.846 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460778576 878550891 /nfs/dbraw/zinc/55/08/91/878550891.db2.gz MPXILGHDZJQZHL-XLIONFOSSA-N 1 0 385.531 3.751 20 30 GHEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000616092046 878551485 /nfs/dbraw/zinc/55/14/85/878551485.db2.gz DVTWKROAEFFRGV-OAQYLSRUSA-N 1 0 376.504 3.943 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)CN2CC3(CCC3)[C@@H]2c2ccco2)c(OC)c1 ZINC000451845784 878596552 /nfs/dbraw/zinc/59/65/52/878596552.db2.gz VNEFYYUZOSMREE-AVRDEDQJSA-N 1 0 383.488 3.984 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852867017 878639179 /nfs/dbraw/zinc/63/91/79/878639179.db2.gz ONMCPBLTELIDON-QGZVFWFLSA-N 1 0 381.545 3.949 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000852898861 878651309 /nfs/dbraw/zinc/65/13/09/878651309.db2.gz QKBUGEIHKWSCSS-FHVRUZERSA-N 1 0 384.520 3.511 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccn(-c4ccccc4)n3)C2)c(F)c1 ZINC000537999690 878689495 /nfs/dbraw/zinc/68/94/95/878689495.db2.gz FBEWDXYDMKEHRM-LJQANCHMSA-N 1 0 375.451 3.642 20 30 GHEDRO N#CCC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000245921421 878751253 /nfs/dbraw/zinc/75/12/53/878751253.db2.gz GPACRYOGNQHKKX-FGZHOGPDSA-N 1 0 376.504 3.995 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(Br)cc1C#N ZINC000451954112 878761795 /nfs/dbraw/zinc/76/17/95/878761795.db2.gz MSPSOKMZULDEQQ-UHFFFAOYSA-N 1 0 390.281 3.508 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000068589082 878768091 /nfs/dbraw/zinc/76/80/91/878768091.db2.gz CXNPLGUDNMDTJL-HNNXBMFYSA-N 1 0 386.446 3.671 20 30 GHEDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000452024793 878846061 /nfs/dbraw/zinc/84/60/61/878846061.db2.gz WMQQGPCHXADXBG-JOCHJYFZSA-N 1 0 390.531 3.622 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000246012474 878856043 /nfs/dbraw/zinc/85/60/43/878856043.db2.gz KIPQPDVXVZSBRZ-FXAWDEMLSA-N 1 0 380.467 3.647 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460944542 878869018 /nfs/dbraw/zinc/86/90/18/878869018.db2.gz FWZNYIYPGNEVDA-HXUWFJFHSA-N 1 0 395.551 3.723 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853211447 878891739 /nfs/dbraw/zinc/89/17/39/878891739.db2.gz VQKMGPXIGVXDGL-KPZWWZAWSA-N 1 0 392.377 3.589 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248772360 912401457 /nfs/dbraw/zinc/40/14/57/912401457.db2.gz HJZOCEKPIPYXFK-MBOZVWFJSA-N 1 0 378.476 3.619 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000538214768 879029213 /nfs/dbraw/zinc/02/92/13/879029213.db2.gz KLKKLGXMKFYPTO-UHFFFAOYSA-N 1 0 392.396 3.837 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc(Br)cnc2C#N)CC1 ZINC000853454717 879030636 /nfs/dbraw/zinc/03/06/36/879030636.db2.gz WUHOZMHVAYGKIL-ZDUSSCGKSA-N 1 0 386.297 3.748 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068810635 879041622 /nfs/dbraw/zinc/04/16/22/879041622.db2.gz KJHDHAKRTDVCQP-QFIPXVFZSA-N 1 0 383.536 3.732 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCn2c(=O)[nH]c3ccccc32)c1 ZINC000238062713 879080226 /nfs/dbraw/zinc/08/02/26/879080226.db2.gz BYEDQKBSTMJCDM-UHFFFAOYSA-N 1 0 398.466 3.570 20 30 GHEDRO C=CC[C@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccncc1 ZINC000853747217 879259763 /nfs/dbraw/zinc/25/97/63/879259763.db2.gz OPROITWCBANLRG-YADHBBJMSA-N 1 0 378.520 3.657 20 30 GHEDRO CON=Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000746865976 879370984 /nfs/dbraw/zinc/37/09/84/879370984.db2.gz NJMRSDLBYVHIBF-DEOSSOPVSA-N 1 0 391.515 3.795 20 30 GHEDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000538395569 879417418 /nfs/dbraw/zinc/41/74/18/879417418.db2.gz PJCOMLMVOJRGPP-AWEZNQCLSA-N 1 0 386.293 3.791 20 30 GHEDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000246343395 879433037 /nfs/dbraw/zinc/43/30/37/879433037.db2.gz LPGKQPPEELHMRN-ZENTWMBTSA-N 1 0 378.538 3.547 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790535799 879801987 /nfs/dbraw/zinc/80/19/87/879801987.db2.gz TVPSTZFFHYDQJP-MDZRGWNJSA-N 1 0 378.438 3.921 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000790548193 879805311 /nfs/dbraw/zinc/80/53/11/879805311.db2.gz KZHNWSBXVGNONG-UHFFFAOYSA-N 1 0 376.378 3.636 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(CC#N)cc3Cl)CC2)c1 ZINC000452645225 879840561 /nfs/dbraw/zinc/84/05/61/879840561.db2.gz NZUFZDLBMLYCTB-UHFFFAOYSA-N 1 0 396.922 3.865 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000531442750 879862318 /nfs/dbraw/zinc/86/23/18/879862318.db2.gz ZFEVITZONOCRGT-JTHBVZDNSA-N 1 0 388.515 3.905 20 30 GHEDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000854532586 879885628 /nfs/dbraw/zinc/88/56/28/879885628.db2.gz YHLBFHTZEZDUFV-IBGZPJMESA-N 1 0 377.488 3.599 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3ccccc3F)C2)c(F)c1 ZINC000531530365 880032448 /nfs/dbraw/zinc/03/24/48/880032448.db2.gz NPQKSZFYCZLITC-KRWDZBQOSA-N 1 0 393.441 3.985 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247648147 880037121 /nfs/dbraw/zinc/03/71/21/880037121.db2.gz OZVHLWOHAMNSDJ-QVKFZJNVSA-N 1 0 382.533 3.920 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(CC#N)c1)c1cccc(C(F)(F)F)c1 ZINC000183894443 880174374 /nfs/dbraw/zinc/17/43/74/880174374.db2.gz RMGZWQOOPJFOOO-GOSISDBHSA-N 1 0 375.394 3.804 20 30 GHEDRO CC(C)Oc1ccc([C@@H]2CCCC2=NNC(=S)NCCC[NH+](C)C)cc1 ZINC000776769331 880201249 /nfs/dbraw/zinc/20/12/49/880201249.db2.gz CQEJKWRDCKOVEK-SFHVURJKSA-N 1 0 376.570 3.513 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000184549113 880329471 /nfs/dbraw/zinc/32/94/71/880329471.db2.gz JJBNIJMGEIVIHT-UHFFFAOYSA-N 1 0 382.302 3.538 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc3c2OCCCO3)ccc1OC ZINC000113348194 880521529 /nfs/dbraw/zinc/52/15/29/880521529.db2.gz GPLFELZOBRJYAS-GOSISDBHSA-N 1 0 382.460 3.827 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2ccc(C)cc2Br)CC1 ZINC000185331068 880545175 /nfs/dbraw/zinc/54/51/75/880545175.db2.gz LBPIQDZOMCLCQL-UHFFFAOYSA-N 1 0 379.342 3.847 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(SCC#N)c1)C1CC1 ZINC000185342427 880550057 /nfs/dbraw/zinc/55/00/57/880550057.db2.gz MHMYTSBLVAPDLZ-OAQYLSRUSA-N 1 0 379.529 3.943 20 30 GHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000429523802 880628005 /nfs/dbraw/zinc/62/80/05/880628005.db2.gz XTJAUMDRRGIYKI-VQTJNVASSA-N 1 0 398.482 3.591 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1ccnc(C#N)c1 ZINC000747050226 880798500 /nfs/dbraw/zinc/79/85/00/880798500.db2.gz KACCDTZOSIVLAL-KRWDZBQOSA-N 1 0 379.460 3.563 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453413956 880879426 /nfs/dbraw/zinc/87/94/26/880879426.db2.gz MQNIUKZYXCXFMP-HMXCVIKNSA-N 1 0 395.551 3.977 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453413954 880880001 /nfs/dbraw/zinc/88/00/01/880880001.db2.gz MQNIUKZYXCXFMP-HLAWJBBLSA-N 1 0 395.551 3.977 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000453447413 880915481 /nfs/dbraw/zinc/91/54/81/880915481.db2.gz XGZLYECMSIWPHN-PZJWPPBQSA-N 1 0 395.551 3.664 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(O)=C(C#N)c3nccc4ccccc43)cc2)CC1 ZINC000792093460 880922577 /nfs/dbraw/zinc/92/25/77/880922577.db2.gz JDKNHGZJAZIVLR-JOCHJYFZSA-N 1 0 384.483 3.867 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cc1ccccc1CC#N ZINC000776870942 880929370 /nfs/dbraw/zinc/92/93/70/880929370.db2.gz QQMSIAFQMGVLNL-UHFFFAOYSA-N 1 0 379.529 3.791 20 30 GHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453428052 880931099 /nfs/dbraw/zinc/93/10/99/880931099.db2.gz ZIMBKCUWDYINGJ-JBACZVJFSA-N 1 0 395.551 3.630 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453454671 880945404 /nfs/dbraw/zinc/94/54/04/880945404.db2.gz QMKVREXLTZEJPV-OALUTQOASA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000453473062 880990538 /nfs/dbraw/zinc/99/05/38/880990538.db2.gz ZJTRUOVGFFGZQO-WOJBJXKFSA-N 1 0 387.572 3.798 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000453451865 881006113 /nfs/dbraw/zinc/00/61/13/881006113.db2.gz KLUZLWXZQVYKGS-PZJWPPBQSA-N 1 0 395.551 3.664 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000113981189 881022582 /nfs/dbraw/zinc/02/25/82/881022582.db2.gz JAHWNUJDHBWQCF-FUHWJXTLSA-N 1 0 386.521 3.531 20 30 GHEDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000453598997 881070514 /nfs/dbraw/zinc/07/05/14/881070514.db2.gz PLFDWFBDZIHNOE-OAHLLOKOSA-N 1 0 378.451 3.827 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1OCCCC#N ZINC000119971257 881234389 /nfs/dbraw/zinc/23/43/89/881234389.db2.gz MOGHYIPCRASKFG-KRWDZBQOSA-N 1 0 391.475 3.809 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609385571 883131922 /nfs/dbraw/zinc/13/19/22/883131922.db2.gz BJTGLZKMOGIUOV-CVEARBPZSA-N 1 0 388.581 3.678 20 30 GHEDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000858627582 883242453 /nfs/dbraw/zinc/24/24/53/883242453.db2.gz DHGAOPHWRXRBKN-UHFFFAOYSA-N 1 0 379.479 3.756 20 30 GHEDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135181893 883243870 /nfs/dbraw/zinc/24/38/70/883243870.db2.gz QEVWGDCYDYBIJZ-UHFFFAOYSA-N 1 0 385.552 3.631 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000609483849 883276303 /nfs/dbraw/zinc/27/63/03/883276303.db2.gz LHNOEMKWIKMFGP-HRAATJIYSA-N 1 0 383.517 3.517 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000804977082 883526180 /nfs/dbraw/zinc/52/61/80/883526180.db2.gz LSMBYCBTHSTLSI-PMOQBDJRSA-N 1 0 375.516 3.756 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000609680055 883537979 /nfs/dbraw/zinc/53/79/79/883537979.db2.gz OUNXUXDNSIUPRI-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000805045631 883557349 /nfs/dbraw/zinc/55/73/49/883557349.db2.gz UYHHPGOBJWSHRC-RTWAWAEBSA-N 1 0 379.504 3.659 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1F ZINC000805236026 883679943 /nfs/dbraw/zinc/67/99/43/883679943.db2.gz LILQAFSTRMPGMX-XUVXKRRUSA-N 1 0 385.870 3.898 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000859254325 883694872 /nfs/dbraw/zinc/69/48/72/883694872.db2.gz TZACFJDWXGUGBJ-FUHWJXTLSA-N 1 0 382.426 3.566 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)CC1 ZINC000188571094 883857982 /nfs/dbraw/zinc/85/79/82/883857982.db2.gz LYLNGQKUCACRRK-UHFFFAOYSA-N 1 0 382.508 3.676 20 30 GHEDRO N#Cc1cc(Br)ccc1COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000805543809 883889482 /nfs/dbraw/zinc/88/94/82/883889482.db2.gz NZBLSPQNEAYHLW-KRWDZBQOSA-N 1 0 377.282 3.771 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000612101918 884006506 /nfs/dbraw/zinc/00/65/06/884006506.db2.gz YLIDZYJSYUFOPB-PWHSHALESA-N 1 0 382.552 4.000 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000116923905 884035702 /nfs/dbraw/zinc/03/57/02/884035702.db2.gz FRLFCGWFEASLHC-NVXWUHKLSA-N 1 0 387.430 3.947 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000190474687 884084510 /nfs/dbraw/zinc/08/45/10/884084510.db2.gz VROROYYSEALHGU-QVKFZJNVSA-N 1 0 399.441 3.536 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000494873490 884101243 /nfs/dbraw/zinc/10/12/43/884101243.db2.gz KSHULBZSGXMURC-JOCHJYFZSA-N 1 0 377.488 3.649 20 30 GHEDRO CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000805854927 884151028 /nfs/dbraw/zinc/15/10/28/884151028.db2.gz ABLNOGKUUQYETJ-LJQANCHMSA-N 1 0 393.487 3.888 20 30 GHEDRO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000494896477 884174478 /nfs/dbraw/zinc/17/44/78/884174478.db2.gz WENNRBZYBFPGIK-PKOBYXMFSA-N 1 0 388.531 3.779 20 30 GHEDRO C[NH+]1CCC(CNC(=S)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000760493203 884222060 /nfs/dbraw/zinc/22/20/60/884222060.db2.gz MAOZWCWVPXGVNE-UHFFFAOYSA-N 1 0 384.574 3.593 20 30 GHEDRO N#CC1(CCC[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000860047675 884287173 /nfs/dbraw/zinc/28/71/73/884287173.db2.gz GTWUGODVYHTXSI-QZTJIDSGSA-N 1 0 393.325 3.657 20 30 GHEDRO C=CCCCCCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000806167849 884422542 /nfs/dbraw/zinc/42/25/42/884422542.db2.gz MXGNHRLHEPJFHG-UHFFFAOYSA-N 1 0 380.554 3.574 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000898115843 884595400 /nfs/dbraw/zinc/59/54/00/884595400.db2.gz KRBAKMKOGQYFSY-JOCHJYFZSA-N 1 0 378.472 3.565 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000424176284 884604367 /nfs/dbraw/zinc/60/43/67/884604367.db2.gz RFULUHTYNXOUJN-PXNSSMCTSA-N 1 0 398.459 3.863 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc(F)cc1OCC#N)[NH+](C)C ZINC000806349536 884611105 /nfs/dbraw/zinc/61/11/05/884611105.db2.gz QAMSHAQFVOJOCO-FOIQADDNSA-N 1 0 384.455 3.849 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000806538488 884795430 /nfs/dbraw/zinc/79/54/30/884795430.db2.gz IWJSKDLSULNHRE-UHFFFAOYSA-N 1 0 375.516 3.744 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000610583370 884830697 /nfs/dbraw/zinc/83/06/97/884830697.db2.gz FYXOCHSLAHYHQY-QUCCMNQESA-N 1 0 397.567 3.589 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)Nc2cc(C[NH+](C)C)ccc2OC)cc1OC ZINC000914845343 884922909 /nfs/dbraw/zinc/92/29/09/884922909.db2.gz MABUNEACNFUVLH-XFXZXTDPSA-N 1 0 396.487 3.982 20 30 GHEDRO Cc1cccnc1N1CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC001137636701 884923498 /nfs/dbraw/zinc/92/34/98/884923498.db2.gz JJCDVGQXZJBDLN-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000106035121 884934764 /nfs/dbraw/zinc/93/47/64/884934764.db2.gz PTUDJXDWBAQWOP-QZTJIDSGSA-N 1 0 377.326 3.709 20 30 GHEDRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000103494442 885012582 /nfs/dbraw/zinc/01/25/82/885012582.db2.gz CUCOUXYSYGVBOO-MRXNPFEDSA-N 1 0 398.457 3.544 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C/c3ccnc4ccccc34)CC2)cc1 ZINC000117748096 885014000 /nfs/dbraw/zinc/01/40/00/885014000.db2.gz KBTGLFBSMOIQRR-ZHACJKMWSA-N 1 0 396.494 3.854 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000106340964 885038262 /nfs/dbraw/zinc/03/82/62/885038262.db2.gz CDMSLUUURPSDIN-OAQYLSRUSA-N 1 0 389.515 3.557 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1)C(C)C ZINC000106464079 885071508 /nfs/dbraw/zinc/07/15/08/885071508.db2.gz DFVOJQQSBRGPIL-LJQANCHMSA-N 1 0 381.524 3.559 20 30 GHEDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925463800 885412461 /nfs/dbraw/zinc/41/24/61/885412461.db2.gz QDEQSTOXWTYVNI-IAGOWNOFSA-N 1 0 381.561 3.693 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)s1 ZINC000532456490 885543925 /nfs/dbraw/zinc/54/39/25/885543925.db2.gz WEJHVHXGDLDERR-QGZVFWFLSA-N 1 0 391.500 3.824 20 30 GHEDRO C=CCCCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000807591843 885583472 /nfs/dbraw/zinc/58/34/72/885583472.db2.gz ISEXEOVLTPISDY-LEWJYISDSA-N 1 0 378.605 3.571 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000610972349 885609029 /nfs/dbraw/zinc/60/90/29/885609029.db2.gz NKMCSHAEOOOSCU-IAGOWNOFSA-N 1 0 377.492 3.539 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000495390871 885647551 /nfs/dbraw/zinc/64/75/51/885647551.db2.gz JFBJBGGSMDSVII-IBGZPJMESA-N 1 0 390.405 3.981 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000108506601 885763529 /nfs/dbraw/zinc/76/35/29/885763529.db2.gz YXCCRZDDFRNNJR-IBGZPJMESA-N 1 0 392.503 3.795 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC)Cc1ccccc1 ZINC000495432771 885778775 /nfs/dbraw/zinc/77/87/75/885778775.db2.gz LDGLCPMWTMLSRX-LJQANCHMSA-N 1 0 380.492 3.641 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)CC1 ZINC000084681216 886000741 /nfs/dbraw/zinc/00/07/41/886000741.db2.gz JJBDKDVYASJOJY-QNGMFEMESA-N 1 0 388.600 3.550 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000498887649 886032498 /nfs/dbraw/zinc/03/24/98/886032498.db2.gz CSUHACZZUQUNMI-XMSQKQJNSA-N 1 0 388.515 3.900 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1=S ZINC000808191033 886084897 /nfs/dbraw/zinc/08/48/97/886084897.db2.gz LSRLIYKLLOSRMI-AZUAARDMSA-N 1 0 397.592 3.707 20 30 GHEDRO CCC1(Nc2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)COC1 ZINC001168316636 886111164 /nfs/dbraw/zinc/11/11/64/886111164.db2.gz LWWOVUWVHBCWCU-UHFFFAOYSA-N 1 0 376.504 3.730 20 30 GHEDRO COc1cc(OC)cc(OCCC[N@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000282079158 886376480 /nfs/dbraw/zinc/37/64/80/886376480.db2.gz UJHHSKAXFVGOPS-UHFFFAOYSA-N 1 0 376.497 3.505 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000155095371 886390123 /nfs/dbraw/zinc/39/01/23/886390123.db2.gz RVOLYWAIECDNMI-NLFFAJNJSA-N 1 0 388.559 3.633 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1OCCCC#N ZINC000862483772 886402001 /nfs/dbraw/zinc/40/20/01/886402001.db2.gz YQKSJRYFQUIBSK-QHCPKHFHSA-N 1 0 380.488 3.861 20 30 GHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000195127730 886420843 /nfs/dbraw/zinc/42/08/43/886420843.db2.gz CJKIFOKXUWTSOU-UHFFFAOYSA-N 1 0 393.487 3.960 20 30 GHEDRO CN1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000556884223 886450984 /nfs/dbraw/zinc/45/09/84/886450984.db2.gz HKFTXHDOWCFJGR-DHIUTWEWSA-N 1 0 396.485 3.840 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000454191906 886578139 /nfs/dbraw/zinc/57/81/39/886578139.db2.gz KJPGAQNIVUDIRK-UHFFFAOYSA-N 1 0 380.467 3.683 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@](C)(C#N)C3CCCCC3)cc2)CC1 ZINC000550748643 886640655 /nfs/dbraw/zinc/64/06/55/886640655.db2.gz VMWNNFZVQARJSA-HSZRJFAPSA-N 1 0 382.552 3.809 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1C#N ZINC000808708760 886693300 /nfs/dbraw/zinc/69/33/00/886693300.db2.gz PUUUAPQPUGOENP-IBGZPJMESA-N 1 0 379.460 3.710 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487981897 886749687 /nfs/dbraw/zinc/74/96/87/886749687.db2.gz CVKABRXJUFAHIW-UHFFFAOYSA-N 1 0 393.329 3.906 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000236608556 886871188 /nfs/dbraw/zinc/87/11/88/886871188.db2.gz MYCXNYQIHSYVSU-UHFFFAOYSA-N 1 0 389.293 3.534 20 30 GHEDRO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000532649578 886899737 /nfs/dbraw/zinc/89/97/37/886899737.db2.gz LCXFANQEMFHFOH-KNQAVFIVSA-N 1 0 390.531 3.872 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000171719343 887051267 /nfs/dbraw/zinc/05/12/67/887051267.db2.gz YOZWNAWNICICQH-GOSISDBHSA-N 1 0 394.519 3.671 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487991574 887177619 /nfs/dbraw/zinc/17/76/19/887177619.db2.gz JEGQLNHFGFCTQD-CQSZACIVSA-N 1 0 393.329 3.954 20 30 GHEDRO CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CC1)Sc1ccc(Br)cc1 ZINC000863552899 887208199 /nfs/dbraw/zinc/20/81/99/887208199.db2.gz QCJYFCOYXDVDSV-AWEZNQCLSA-N 1 0 383.355 3.964 20 30 GHEDRO N#Cc1ccccc1N1CCCN(Cc2cccc(O)c2Br)CC1 ZINC000459309080 887245598 /nfs/dbraw/zinc/24/55/98/887245598.db2.gz SHRXBFJTPNHDJO-UHFFFAOYSA-N 1 0 386.293 3.739 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(c2ccccc2C)CCOCC1)C(C)C ZINC000496028906 887406039 /nfs/dbraw/zinc/40/60/39/887406039.db2.gz OPOFTTZGNPNSJC-JOCHJYFZSA-N 1 0 384.564 3.858 20 30 GHEDRO CC[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759513 887423162 /nfs/dbraw/zinc/42/31/62/887423162.db2.gz YFGIOVVDMHCCHA-HNNXBMFYSA-N 1 0 387.430 3.859 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)cc(OC)c1O ZINC000809702284 887691386 /nfs/dbraw/zinc/69/13/86/887691386.db2.gz RDQDLXOHFMDAIF-UHFFFAOYSA-N 1 0 396.281 3.827 20 30 GHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc2ccccc2n1CC#N ZINC000729652382 887699952 /nfs/dbraw/zinc/69/99/52/887699952.db2.gz TXMLJGZLWJQGOJ-KNQAVFIVSA-N 1 0 384.483 3.921 20 30 GHEDRO CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000809707283 887726911 /nfs/dbraw/zinc/72/69/11/887726911.db2.gz UFUFVHBRUGADDJ-UHFFFAOYSA-N 1 0 391.487 3.844 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000266067630 887868359 /nfs/dbraw/zinc/86/83/59/887868359.db2.gz KGECGDOMXMMDRL-GOSISDBHSA-N 1 0 376.500 3.885 20 30 GHEDRO C=CCNc1ncc(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)s1 ZINC001184436491 913199951 /nfs/dbraw/zinc/19/99/51/913199951.db2.gz JSRPQYYTYNDPRY-UHFFFAOYSA-N 1 0 392.528 3.850 20 30 GHEDRO Cc1ccc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C#N)n1 ZINC001170594859 888082997 /nfs/dbraw/zinc/08/29/97/888082997.db2.gz GJWJCMIHTXXILL-QFIPXVFZSA-N 1 0 386.499 3.737 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001132087932 888218622 /nfs/dbraw/zinc/21/86/22/888218622.db2.gz UGKANFKAULLJQW-UYAOXDASSA-N 1 0 394.515 3.758 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)nc1 ZINC000810235483 888312336 /nfs/dbraw/zinc/31/23/36/888312336.db2.gz QPWINTPILYVGPT-GUYCJALGSA-N 1 0 399.292 3.562 20 30 GHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2ccccc2)c1 ZINC000729668157 888340926 /nfs/dbraw/zinc/34/09/26/888340926.db2.gz DUHHTOQKAOVWFP-UHFFFAOYSA-O 1 0 395.460 3.713 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000111897146 888401855 /nfs/dbraw/zinc/40/18/55/888401855.db2.gz DYTRUOVIWXNXHY-OBXNSHGQSA-N 1 0 396.535 3.564 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c(-c2cccs2)n1 ZINC000865695796 888519678 /nfs/dbraw/zinc/51/96/78/888519678.db2.gz OWXGCPAGVLTNRZ-UHFFFAOYSA-N 1 0 377.517 3.779 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC001132306575 888578873 /nfs/dbraw/zinc/57/88/73/888578873.db2.gz JHBJXNZBFDRVDY-UEVCKROQSA-N 1 0 375.516 3.958 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H](c2nccs2)C1 ZINC000195341895 888681573 /nfs/dbraw/zinc/68/15/73/888681573.db2.gz QACIGXLZHYADTE-IRXDYDNUSA-N 1 0 398.532 3.666 20 30 GHEDRO C[C@]1(COC(=O)Cc2cccc(OCC#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000810602734 888697984 /nfs/dbraw/zinc/69/79/84/888697984.db2.gz HNHRASPHVWJDMS-HSZRJFAPSA-N 1 0 378.472 3.729 20 30 GHEDRO C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C1=CC[N@H+](C)CC1 ZINC000272761450 888726167 /nfs/dbraw/zinc/72/61/67/888726167.db2.gz PQEKINISGUYXIM-KRWDZBQOSA-N 1 0 375.472 3.517 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccnc2OC(F)F)no1 ZINC001211976038 888783358 /nfs/dbraw/zinc/78/33/58/888783358.db2.gz XRUROGVRNMKLDD-HIFRSBDPSA-N 1 0 396.438 3.811 20 30 GHEDRO N#CCc1ccsc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000866312617 888823815 /nfs/dbraw/zinc/82/38/15/888823815.db2.gz PBRWDZFRLSMJQT-QFIPXVFZSA-N 1 0 379.529 3.942 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccc(N2CCOCC2)c1 ZINC000866444985 888881566 /nfs/dbraw/zinc/88/15/66/888881566.db2.gz GBQFHKMDRMMAFE-LJQANCHMSA-N 1 0 390.531 3.714 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)CC1 ZINC000747632191 888893457 /nfs/dbraw/zinc/89/34/57/888893457.db2.gz QSBNXOFUOSJKKZ-UHFFFAOYSA-N 1 0 389.474 3.884 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC3CC[NH+](CCC(F)(F)F)CC3)cn2)cc1 ZINC000866493932 888904677 /nfs/dbraw/zinc/90/46/77/888904677.db2.gz CYDOJRSYDQRIHO-UHFFFAOYSA-N 1 0 377.414 3.632 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC000454542002 889247415 /nfs/dbraw/zinc/24/74/15/889247415.db2.gz LAKIRGSKCHJSNK-UHFFFAOYSA-N 1 0 377.479 3.579 20 30 GHEDRO C=C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)OCC)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001170628710 889327204 /nfs/dbraw/zinc/32/72/04/889327204.db2.gz JPHVIVYNTOZADC-OTWHNJEPSA-N 1 0 388.508 3.835 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000868167558 889330752 /nfs/dbraw/zinc/33/07/52/889330752.db2.gz RWWJHYCJORXIJI-UHFFFAOYSA-N 1 0 376.382 3.742 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C(F)(F)F)c1 ZINC000868209045 889352877 /nfs/dbraw/zinc/35/28/77/889352877.db2.gz GGTISFQYMNHAPO-BZSNNMDCSA-N 1 0 394.441 3.725 20 30 GHEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000868211713 889355645 /nfs/dbraw/zinc/35/56/45/889355645.db2.gz XEMAUDKLQCQLBH-SJORKVTESA-N 1 0 394.441 3.581 20 30 GHEDRO CCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000532948871 889360439 /nfs/dbraw/zinc/36/04/39/889360439.db2.gz RPPMGGDXBJUTTA-XMSQKQJNSA-N 1 0 376.504 3.654 20 30 GHEDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000532987521 889468806 /nfs/dbraw/zinc/46/88/06/889468806.db2.gz YFGDTRPLUOTFHX-UHFFFAOYSA-N 1 0 375.831 3.786 20 30 GHEDRO FC(F)(F)c1ccc(Br)c(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000811646100 889840879 /nfs/dbraw/zinc/84/08/79/889840879.db2.gz KPWKZOGTXINZRC-BETUJISGSA-N 1 0 389.219 3.662 20 30 GHEDRO N#CCc1nc(Cl)cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)n1 ZINC001170644974 889994800 /nfs/dbraw/zinc/99/48/00/889994800.db2.gz VOKYRWRYQFTCKC-ZGUYJTEBSA-N 1 0 381.911 3.828 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000811912632 890078872 /nfs/dbraw/zinc/07/88/72/890078872.db2.gz GOSYAJZGERCKDH-NQIIRXRSSA-N 1 0 381.907 3.836 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000533289595 890200076 /nfs/dbraw/zinc/20/00/76/890200076.db2.gz RLTKGEQLMNPQJI-ZVLZEYJHSA-N 1 0 383.536 3.804 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC001184784874 913431617 /nfs/dbraw/zinc/43/16/17/913431617.db2.gz LRAGRCZILPVNNF-UHFFFAOYSA-N 1 0 389.337 3.547 20 30 GHEDRO COc1ccc(CNC(=O)C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000154217994 890299849 /nfs/dbraw/zinc/29/98/49/890299849.db2.gz PHGUYVSJYMIPAC-UHFFFAOYSA-N 1 0 396.918 3.729 20 30 GHEDRO Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000916896471 890339907 /nfs/dbraw/zinc/33/99/07/890339907.db2.gz IHBFZCMSLHADIS-OAQYLSRUSA-N 1 0 375.472 3.942 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C1(CC(=O)OC)CCCCC1 ZINC000533390242 890436527 /nfs/dbraw/zinc/43/65/27/890436527.db2.gz GJQGCYYMZLGLEL-UHFFFAOYSA-N 1 0 376.522 3.759 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3cncc(CC#N)c3)c3nccc2-3)cc1 ZINC001170667591 890461749 /nfs/dbraw/zinc/46/17/49/890461749.db2.gz WFAMZDVIOWPWMS-OAHLLOKOSA-N 1 0 396.454 3.710 20 30 GHEDRO C#C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 ZINC000812793195 890987327 /nfs/dbraw/zinc/98/73/27/890987327.db2.gz OHEMBDSCRCKWFF-YCRPNKLZSA-N 1 0 393.462 3.855 20 30 GHEDRO N#CCc1ccnc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000871726543 890993332 /nfs/dbraw/zinc/99/33/32/890993332.db2.gz MRKXGJYAGSEPOK-SFTDATJTSA-N 1 0 389.503 3.666 20 30 GHEDRO C#C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000812868144 891086010 /nfs/dbraw/zinc/08/60/10/891086010.db2.gz HSGXUSBUFWBAMZ-QFIPXVFZSA-N 1 0 379.479 3.985 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)OCC ZINC000533679639 891090533 /nfs/dbraw/zinc/09/05/33/891090533.db2.gz XPVZUCQZTNIUMY-FQEVSTJZSA-N 1 0 387.524 3.811 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)c2)cc1 ZINC001133495579 891105964 /nfs/dbraw/zinc/10/59/64/891105964.db2.gz XAFZEUYGXQZRME-NHCUHLMSSA-N 1 0 393.512 3.660 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1=S ZINC000872724727 891313268 /nfs/dbraw/zinc/31/32/68/891313268.db2.gz LDMBNCNKGNSETC-MOPGFXCFSA-N 1 0 383.565 3.559 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CCC(C)([NH+]3CCCCC3)CC2)c1=S ZINC000872794918 891332666 /nfs/dbraw/zinc/33/26/66/891332666.db2.gz RVXACNPAPDIMKW-UHFFFAOYSA-N 1 0 375.586 3.775 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)c1 ZINC001133672838 891403206 /nfs/dbraw/zinc/40/32/06/891403206.db2.gz PWEKDODZOIOJTG-UHFFFAOYSA-N 1 0 390.409 3.957 20 30 GHEDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000191847461 891570124 /nfs/dbraw/zinc/57/01/24/891570124.db2.gz PMLBHZHWCFHZSS-OXQOHEQNSA-N 1 0 398.551 3.524 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCCN(c3ccc(C)cc3)CC2)c(C#N)c1C ZINC000917211854 891629759 /nfs/dbraw/zinc/62/97/59/891629759.db2.gz LXSMVXJWXASQEY-KRWDZBQOSA-N 1 0 380.492 3.616 20 30 GHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(C)cc2)c1C ZINC000127686770 891688602 /nfs/dbraw/zinc/68/86/02/891688602.db2.gz AQCWOUCNXZOZHM-UHFFFAOYSA-O 1 0 386.541 3.757 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873697256 891759959 /nfs/dbraw/zinc/75/99/59/891759959.db2.gz XNDXFTYBVFQVOX-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000813632140 891852561 /nfs/dbraw/zinc/85/25/61/891852561.db2.gz VUFOFOXBWPDBLT-PKTZIBPZSA-N 1 0 393.531 3.801 20 30 GHEDRO CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2cnc3c(C)cccn23)cc1 ZINC000125302449 892461752 /nfs/dbraw/zinc/46/17/52/892461752.db2.gz QIXWCTCHCCIFHZ-JLHYYAGUSA-N 1 0 391.471 3.786 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000497851239 892551872 /nfs/dbraw/zinc/55/18/72/892551872.db2.gz FOEXQVMMTBIFGE-FQEVSTJZSA-N 1 0 375.561 3.816 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000875566086 892691030 /nfs/dbraw/zinc/69/10/30/892691030.db2.gz ONZGUCSUVRXEEG-UHFFFAOYSA-N 1 0 376.932 3.721 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C(F)F)CC2)cc1 ZINC000455605513 892703536 /nfs/dbraw/zinc/70/35/36/892703536.db2.gz VNBZQWKZYQQGEX-HXUWFJFHSA-N 1 0 398.457 3.782 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271793412 892876363 /nfs/dbraw/zinc/87/63/63/892876363.db2.gz JQQDDHHSQSMBFN-HAWMADMCSA-N 1 0 388.558 3.991 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1C ZINC000933486582 893055570 /nfs/dbraw/zinc/05/55/70/893055570.db2.gz UVALQWUGZMPDPE-CRAIPNDOSA-N 1 0 386.455 3.892 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000778176800 893085827 /nfs/dbraw/zinc/08/58/27/893085827.db2.gz OAZXEZVYTNXTRP-UHFFFAOYSA-N 1 0 384.911 3.517 20 30 GHEDRO C=CCNc1ncc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000129229926 893176039 /nfs/dbraw/zinc/17/60/39/893176039.db2.gz QMMWJAAJXCEMRJ-XJKSGUPXSA-N 1 0 376.551 3.615 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C ZINC000876589193 893240904 /nfs/dbraw/zinc/24/09/04/893240904.db2.gz KESRJBPPOIKQTC-XNJGSVPQSA-N 1 0 377.916 3.522 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000563013894 893278602 /nfs/dbraw/zinc/27/86/02/893278602.db2.gz NHHSZMPMQKWHQM-CRAIPNDOSA-N 1 0 392.421 3.732 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000498124849 893303322 /nfs/dbraw/zinc/30/33/22/893303322.db2.gz IISBVEUKPXOMPA-NRFANRHFSA-N 1 0 397.519 3.865 20 30 GHEDRO CN(Cc1ccc(C#N)cc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000778221655 893380461 /nfs/dbraw/zinc/38/04/61/893380461.db2.gz VZCLSESZYYHARP-OAHLLOKOSA-N 1 0 394.313 3.762 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876999700 893428008 /nfs/dbraw/zinc/42/80/08/893428008.db2.gz VYZWABNLEUKGFH-INIZCTEOSA-N 1 0 393.478 3.945 20 30 GHEDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536662976 893474371 /nfs/dbraw/zinc/47/43/71/893474371.db2.gz NOXCOQOHHGBLOG-HXUWFJFHSA-N 1 0 396.512 3.618 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000815166646 893553485 /nfs/dbraw/zinc/55/34/85/893553485.db2.gz RIXSWJFIQIZASZ-HNNXBMFYSA-N 1 0 392.908 3.584 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(C#N)cnc3Cl)C[C@H]2C1 ZINC000877586025 893702928 /nfs/dbraw/zinc/70/29/28/893702928.db2.gz ZSIWYIJYCFANLL-BHYGNILZSA-N 1 0 390.915 3.732 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000877827148 893836244 /nfs/dbraw/zinc/83/62/44/893836244.db2.gz UOXWLWDWDVMAGW-KRWDZBQOSA-N 1 0 385.508 3.810 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000877928528 893899031 /nfs/dbraw/zinc/89/90/31/893899031.db2.gz YHOIGHXLIJTBHP-ZEQRLZLVSA-N 1 0 376.500 3.873 20 30 GHEDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000536832432 893942065 /nfs/dbraw/zinc/94/20/65/893942065.db2.gz LQALIJPGJIYQEF-ZGYBWILLSA-N 1 0 386.499 3.779 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878053290 893983927 /nfs/dbraw/zinc/98/39/27/893983927.db2.gz DTYPNFUZTDQMHW-AUSIDOKSSA-N 1 0 399.535 3.616 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878053291 893984482 /nfs/dbraw/zinc/98/44/82/893984482.db2.gz DTYPNFUZTDQMHW-CVDCTZTESA-N 1 0 399.535 3.616 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000774866713 913834978 /nfs/dbraw/zinc/83/49/78/913834978.db2.gz UHMQITHNFOPKPB-IFXJQAMLSA-N 1 0 399.454 3.533 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000878219675 894102917 /nfs/dbraw/zinc/10/29/17/894102917.db2.gz OYFDSJFHYGIFJW-DEOSSOPVSA-N 1 0 395.547 3.588 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000536963367 894142201 /nfs/dbraw/zinc/14/22/01/894142201.db2.gz BCTHFUOHEDNGSS-LEWJYISDSA-N 1 0 376.504 3.897 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(-c2ccncc2)n1 ZINC000563757134 894152895 /nfs/dbraw/zinc/15/28/95/894152895.db2.gz ZEYWANFFFOLFRK-DEOSSOPVSA-N 1 0 399.498 3.828 20 30 GHEDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000537027499 894234030 /nfs/dbraw/zinc/23/40/30/894234030.db2.gz AEFPIHKQJSDBGN-OAHLLOKOSA-N 1 0 390.405 3.533 20 30 GHEDRO C[N@H+](CCc1cccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1)C1CC1 ZINC000537032643 894241787 /nfs/dbraw/zinc/24/17/87/894241787.db2.gz WVBOGGAXZIKAAC-UHFFFAOYSA-N 1 0 389.908 3.649 20 30 GHEDRO COc1cc(C[N@H+](C)CCCn2ccnc2)ccc1OCc1cccc(C#N)c1 ZINC000537043033 894258114 /nfs/dbraw/zinc/25/81/14/894258114.db2.gz QABGWQYXEPMGRG-UHFFFAOYSA-N 1 0 390.487 3.864 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537088004 894320579 /nfs/dbraw/zinc/32/05/79/894320579.db2.gz PPQZONPWKYIRCI-QZTJIDSGSA-N 1 0 394.519 3.798 20 30 GHEDRO Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ncccc12 ZINC000935271219 894320626 /nfs/dbraw/zinc/32/06/26/894320626.db2.gz QJEJWMVKMPAKAH-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000878660363 894491360 /nfs/dbraw/zinc/49/13/60/894491360.db2.gz SRJJKVBERNHODB-UHFFFAOYSA-N 1 0 380.492 3.595 20 30 GHEDRO C#CCCCCC[NH+]1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000878708954 894526746 /nfs/dbraw/zinc/52/67/46/894526746.db2.gz BYZOGINAOIPMNI-VQTJNVASSA-N 1 0 378.557 3.964 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1C#N ZINC000879003415 894776393 /nfs/dbraw/zinc/77/63/93/894776393.db2.gz HLXRFNMOIBOFDK-UHFFFAOYSA-N 1 0 399.495 3.609 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)nc1 ZINC000879025840 894792063 /nfs/dbraw/zinc/79/20/63/894792063.db2.gz KAOSIZRPMLXIPF-LJQANCHMSA-N 1 0 386.293 3.629 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000564427601 894970955 /nfs/dbraw/zinc/97/09/55/894970955.db2.gz MRMXXTZEEYEGDT-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879408167 895037915 /nfs/dbraw/zinc/03/79/15/895037915.db2.gz UIHCHSQXVQKWOP-MAUKXSAKSA-N 1 0 375.538 3.814 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879408760 895038400 /nfs/dbraw/zinc/03/84/00/895038400.db2.gz YVBBDYKKILSNOX-CRAIPNDOSA-N 1 0 375.538 3.957 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000816934818 895223964 /nfs/dbraw/zinc/22/39/64/895223964.db2.gz FCXPIMCDHAFCIG-IBGZPJMESA-N 1 0 380.463 3.731 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000879700735 895241275 /nfs/dbraw/zinc/24/12/75/895241275.db2.gz MCVQUXYUVWLFGO-RTBURBONSA-N 1 0 391.556 3.808 20 30 GHEDRO C=CCN(CC=C)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000565849750 895929190 /nfs/dbraw/zinc/92/91/90/895929190.db2.gz JKLBCDGVPZDWMP-KRWDZBQOSA-N 1 0 393.487 3.949 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccnn1-c1ccccc1 ZINC000565985197 896028744 /nfs/dbraw/zinc/02/87/44/896028744.db2.gz AQOKMSOPDWZECE-UTKZUKDTSA-N 1 0 385.471 3.590 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000880990241 896050814 /nfs/dbraw/zinc/05/08/14/896050814.db2.gz RPQVRASKIAFRSO-UHFFFAOYSA-N 1 0 398.404 3.933 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(-c2nnsc2Cl)c1 ZINC000888867694 896147713 /nfs/dbraw/zinc/14/77/13/896147713.db2.gz VZBVBOCVCPQGEL-UHFFFAOYSA-N 1 0 392.916 3.558 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(CC#N)n1)[NH+]1CCCCC1 ZINC000881155126 896204204 /nfs/dbraw/zinc/20/42/04/896204204.db2.gz NJRYNXMXWYNUEG-IBGZPJMESA-N 1 0 393.491 3.505 20 30 GHEDRO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000819010323 896326531 /nfs/dbraw/zinc/32/65/31/896326531.db2.gz BDSQUCPRNZVWDU-HXUWFJFHSA-N 1 0 382.504 3.724 20 30 GHEDRO C=CC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccncc1 ZINC000819074606 896388773 /nfs/dbraw/zinc/38/87/73/896388773.db2.gz SEFIWALWCKVQPN-SJLPKXTDSA-N 1 0 395.272 3.630 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000819185776 896455607 /nfs/dbraw/zinc/45/56/07/896455607.db2.gz LQHDOYHCNCYVDF-AWEZNQCLSA-N 1 0 388.002 3.685 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819250095 896491526 /nfs/dbraw/zinc/49/15/26/896491526.db2.gz ABOBTPFMKQVIOC-RJYAGPCLSA-N 1 0 389.858 3.759 20 30 GHEDRO CCC(CC)(C[NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000819234470 896525729 /nfs/dbraw/zinc/52/57/29/896525729.db2.gz HUIFJIGUDWYIGQ-FQEVSTJZSA-N 1 0 382.504 3.956 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000819349877 896592853 /nfs/dbraw/zinc/59/28/53/896592853.db2.gz LZOKQSDCRCDDDY-DLBZAZTESA-N 1 0 375.241 3.770 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2F)CC1 ZINC000567019892 896805168 /nfs/dbraw/zinc/80/51/68/896805168.db2.gz YYGWUSKEOKGMAU-CYBMUJFWSA-N 1 0 398.320 3.989 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C1 ZINC001137179932 896868055 /nfs/dbraw/zinc/86/80/55/896868055.db2.gz HRXPSWSVSTZRDI-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000567448045 897164690 /nfs/dbraw/zinc/16/46/90/897164690.db2.gz UKVVOAFMGHLKLL-HZEGPAAWSA-N 1 0 377.550 3.651 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000131026452 897296055 /nfs/dbraw/zinc/29/60/55/897296055.db2.gz SWPDQPYSIMWNCQ-UHFFFAOYSA-N 1 0 381.867 3.747 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCN(Cc2ccsc2)CC1 ZINC000567661706 897320357 /nfs/dbraw/zinc/32/03/57/897320357.db2.gz VXUBXXWOKPQLNA-QGZVFWFLSA-N 1 0 389.594 3.806 20 30 GHEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cn1c(C)nnc1-c1cccc(C#N)c1)CCC2 ZINC000131159933 897339709 /nfs/dbraw/zinc/33/97/09/897339709.db2.gz QMGIHMWHNOGKCI-SFHVURJKSA-N 1 0 378.505 3.857 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)[C@H]1CCCO1 ZINC000883196130 897359637 /nfs/dbraw/zinc/35/96/37/897359637.db2.gz KHGVOARHIOZBSJ-RBUKOAKNSA-N 1 0 385.533 3.677 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@@H](C)CCC[NH+](CC)CC)CCCN1C(=O)OC(C)(C)C ZINC001136345913 897382685 /nfs/dbraw/zinc/38/26/85/897382685.db2.gz OSKMYRNFFFLDNO-PGRDOPGGSA-N 1 0 395.588 3.959 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(C)cc1 ZINC000131250174 897385855 /nfs/dbraw/zinc/38/58/55/897385855.db2.gz XPENIKPEBSDITB-UHFFFAOYSA-O 1 0 385.534 3.920 20 30 GHEDRO C#C[C@@H](NC(=O)N(C)C1CC[NH+](CCC)CC1)c1ccc(Br)cc1 ZINC000820616967 897414842 /nfs/dbraw/zinc/41/48/42/897414842.db2.gz NUWYQKDTOIWDJR-GOSISDBHSA-N 1 0 392.341 3.639 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCC[C@H](COc4ccccc4Cl)C3)cnc12 ZINC000567895755 897475887 /nfs/dbraw/zinc/47/58/87/897475887.db2.gz WMVRSRNRKNPOMX-HNNXBMFYSA-N 1 0 381.867 3.545 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000568040119 897551752 /nfs/dbraw/zinc/55/17/52/897551752.db2.gz AQMZKBDCYGXERE-WZONZLPQSA-N 1 0 388.515 3.993 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CCC[N@H+](Cc4ccccc4)CC3)n2C2CC2)c1 ZINC000568083021 897578424 /nfs/dbraw/zinc/57/84/24/897578424.db2.gz CGRJUIDHSNYXGP-UHFFFAOYSA-N 1 0 398.514 3.864 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)cc1OCC ZINC000568161927 897648597 /nfs/dbraw/zinc/64/85/97/897648597.db2.gz LZKGIFRCYUQFEI-DZGCQCFKSA-N 1 0 383.330 3.724 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000568567735 897942981 /nfs/dbraw/zinc/94/29/81/897942981.db2.gz VMBQIOTYQNKLOF-PZJWPPBQSA-N 1 0 397.567 3.826 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2F)CC1 ZINC000102940249 898051141 /nfs/dbraw/zinc/05/11/41/898051141.db2.gz LVLUTCDEDKCTHA-UHFFFAOYSA-N 1 0 381.455 3.872 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000568801724 898112387 /nfs/dbraw/zinc/11/23/87/898112387.db2.gz VLUTZEJJJAETPZ-DWLFOUALSA-N 1 0 397.563 3.579 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000821861676 898124591 /nfs/dbraw/zinc/12/45/91/898124591.db2.gz ZQKAWDSHINBVDQ-IBGZPJMESA-N 1 0 396.466 3.509 20 30 GHEDRO CCOc1ccc(C2(CNC(=[NH2+])Nc3ccc(OC)cc3)CCOCC2)cc1 ZINC000104179149 898128989 /nfs/dbraw/zinc/12/89/89/898128989.db2.gz YATDFVHNLMGUQX-UHFFFAOYSA-N 1 0 383.492 3.569 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001170983198 898275304 /nfs/dbraw/zinc/27/53/04/898275304.db2.gz DJPDBUNUJYXRAK-UHFFFAOYSA-N 1 0 382.407 3.609 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1c[nH]c3ccccc31)c1ccccc1)C2 ZINC000884051471 898664800 /nfs/dbraw/zinc/66/48/00/898664800.db2.gz HYJNPNXGVAMWCV-FDPQJJROSA-N 1 0 398.510 3.555 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000822883635 898684113 /nfs/dbraw/zinc/68/41/13/898684113.db2.gz KULRMAYDFHGQEX-SFHVURJKSA-N 1 0 382.529 3.792 20 30 GHEDRO Cc1ccc(CN(CCc2ccccc2)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)s1 ZINC000884058971 898717511 /nfs/dbraw/zinc/71/75/11/898717511.db2.gz AXHSQTCETDYZEQ-KQVJYAISSA-N 1 0 393.556 3.767 20 30 GHEDRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000569573933 898799400 /nfs/dbraw/zinc/79/94/00/898799400.db2.gz AICZNUDSMMTBTO-UHFFFAOYSA-N 1 0 398.510 3.857 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C2 ZINC000884110358 898913335 /nfs/dbraw/zinc/91/33/35/898913335.db2.gz HKQVISSHRMVUSF-IWUUWALWSA-N 1 0 395.453 3.504 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000331558836 898979528 /nfs/dbraw/zinc/97/95/28/898979528.db2.gz IVIQHXSVRWSCPV-IRXDYDNUSA-N 1 0 399.583 3.835 20 30 GHEDRO CCCOc1ncccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113328634 898985486 /nfs/dbraw/zinc/98/54/86/898985486.db2.gz CMHGZJDYDDOMRD-UHFFFAOYSA-N 1 0 375.476 3.937 20 30 GHEDRO C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000113552568 899009981 /nfs/dbraw/zinc/00/99/81/899009981.db2.gz JKHUYNRNJMQJRO-GOSISDBHSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000113901040 899040526 /nfs/dbraw/zinc/04/05/26/899040526.db2.gz MOBSLAFCPGDDCJ-WYUKIMKNSA-N 1 0 381.520 3.715 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289727027 914317045 /nfs/dbraw/zinc/31/70/45/914317045.db2.gz HZQZKAPSNINWHP-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(C(F)(F)F)cc1 ZINC000570353253 899276654 /nfs/dbraw/zinc/27/66/54/899276654.db2.gz YFRRXWLGBNBWGX-WUJZJPHMSA-N 1 0 395.425 3.823 20 30 GHEDRO Cc1cc(C(C)(C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)ccc1Br ZINC000570554842 899384101 /nfs/dbraw/zinc/38/41/01/899384101.db2.gz BXZREAKXFVVDMY-GOSISDBHSA-N 1 0 380.330 3.637 20 30 GHEDRO Cc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc(N2CCCC2)n1 ZINC000289779404 914343643 /nfs/dbraw/zinc/34/36/43/914343643.db2.gz KJMTUNWSBCSEFC-UHFFFAOYSA-N 1 0 386.503 3.552 20 30 GHEDRO COc1ccc(CCC(=O)N2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000118396215 899438981 /nfs/dbraw/zinc/43/89/81/899438981.db2.gz MANSKVLXBGKHRP-IBGZPJMESA-N 1 0 391.515 3.795 20 30 GHEDRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000120327081 899791263 /nfs/dbraw/zinc/79/12/63/899791263.db2.gz LCEYVIVXXQPZFV-UHFFFAOYSA-N 1 0 394.903 3.604 20 30 GHEDRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(OC)c1 ZINC000824733737 899792771 /nfs/dbraw/zinc/79/27/71/899792771.db2.gz XRPYLZAITXMQNA-CVEARBPZSA-N 1 0 384.476 3.724 20 30 GHEDRO CC(C)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(C(F)(F)F)cc1 ZINC000884324874 899800408 /nfs/dbraw/zinc/80/04/08/899800408.db2.gz BXWCDZOIUVETJE-YQSWOPOKSA-N 1 0 379.426 3.658 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)CC1 ZINC000332643971 899822713 /nfs/dbraw/zinc/82/27/13/899822713.db2.gz GXRYNUCFBOYEAS-OAHLLOKOSA-N 1 0 380.414 3.773 20 30 GHEDRO CC(C)Cn1c(C(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000571371700 899850368 /nfs/dbraw/zinc/85/03/68/899850368.db2.gz LBRKIQSGMFWEHG-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC000824932221 899893681 /nfs/dbraw/zinc/89/36/81/899893681.db2.gz LUWDTTCKCWDTQJ-UHFFFAOYSA-N 1 0 386.540 3.916 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571560903 899912674 /nfs/dbraw/zinc/91/26/74/899912674.db2.gz ILRQQXRQSXFPOP-SFHVURJKSA-N 1 0 394.548 3.607 20 30 GHEDRO C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884417548 900069429 /nfs/dbraw/zinc/06/94/29/900069429.db2.gz KNFSTYREOLSQPT-QWIQBYFBSA-N 1 0 387.527 3.903 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134774747 900117930 /nfs/dbraw/zinc/11/79/30/900117930.db2.gz HAMJUDLFHLOUQC-PMACEKPBSA-N 1 0 384.451 3.673 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000134829957 900130409 /nfs/dbraw/zinc/13/04/09/900130409.db2.gz YNYLRNWSFXUQBL-IBGZPJMESA-N 1 0 391.515 3.822 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134888770 900140494 /nfs/dbraw/zinc/14/04/94/900140494.db2.gz BGKVGSILEBZLMP-MIZPHKNDSA-N 1 0 394.563 3.579 20 30 GHEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CCOC2 ZINC000572333085 900143598 /nfs/dbraw/zinc/14/35/98/900143598.db2.gz CLZORHQUJVQPJU-AUSIDOKSSA-N 1 0 388.515 3.517 20 30 GHEDRO N#Cc1cc2c(nc1N1CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)CCOC2 ZINC000572333086 900143908 /nfs/dbraw/zinc/14/39/08/900143908.db2.gz CLZORHQUJVQPJU-CVDCTZTESA-N 1 0 388.515 3.517 20 30 GHEDRO CN(C(=O)Nc1ccc(F)cc1OCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000135293120 900217909 /nfs/dbraw/zinc/21/79/09/900217909.db2.gz RBJFXDMTZKLERH-UHFFFAOYSA-N 1 0 396.466 3.856 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000572991299 900330763 /nfs/dbraw/zinc/33/07/63/900330763.db2.gz MIWQSFHUKWGPCR-IFIJOSMWSA-N 1 0 391.313 3.580 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCOC(C)(C)C1 ZINC000289936664 914435980 /nfs/dbraw/zinc/43/59/80/914435980.db2.gz VDIAGURGZGUVPK-CQSZACIVSA-N 1 0 375.538 3.717 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCOC(C)(C)C1 ZINC000289936663 914436019 /nfs/dbraw/zinc/43/60/19/914436019.db2.gz VDIAGURGZGUVPK-AWEZNQCLSA-N 1 0 375.538 3.717 20 30 GHEDRO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886035097 900683727 /nfs/dbraw/zinc/68/37/27/900683727.db2.gz JFFJYDPMYKGBPD-LJQANCHMSA-N 1 0 391.556 3.543 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)cc1 ZINC000574032991 900753527 /nfs/dbraw/zinc/75/35/27/900753527.db2.gz BTAXWPWZLVLQIT-FQEVSTJZSA-N 1 0 384.907 3.758 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000886192448 900875573 /nfs/dbraw/zinc/87/55/73/900875573.db2.gz WYVHCGKLLXMZNB-LSTHTHJFSA-N 1 0 377.479 3.523 20 30 GHEDRO COc1ccc(C([NH2+]C[C@H](O)CC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000886307050 900929168 /nfs/dbraw/zinc/92/91/68/900929168.db2.gz ITVOXPZUXGTNLH-LJQANCHMSA-N 1 0 380.488 3.828 20 30 GHEDRO COc1cccc(C[C@H]2C[N@H+](CC3(CC#N)CC3)CCN2CC2(CC#N)CC2)c1 ZINC000886386699 900972831 /nfs/dbraw/zinc/97/28/31/900972831.db2.gz DAYBTYVGMLEDME-NRFANRHFSA-N 1 0 392.547 3.612 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066537026 901007541 /nfs/dbraw/zinc/00/75/41/901007541.db2.gz PFXUCVRBJJKNLL-ZWKOTPCHSA-N 1 0 386.565 3.580 20 30 GHEDRO C=CCC(C)(C)C(=O)NC1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001144077050 901041690 /nfs/dbraw/zinc/04/16/90/901041690.db2.gz YAYUOGDNEKEDHC-UHFFFAOYSA-N 1 0 393.572 3.569 20 30 GHEDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000575377636 901222359 /nfs/dbraw/zinc/22/23/59/901222359.db2.gz ACEJQJPJRDRBFB-KBXCAEBGSA-N 1 0 378.394 3.710 20 30 GHEDRO C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000575377637 901222649 /nfs/dbraw/zinc/22/26/49/901222649.db2.gz ACEJQJPJRDRBFB-KDOFPFPSSA-N 1 0 378.394 3.710 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000575771331 901288508 /nfs/dbraw/zinc/28/85/08/901288508.db2.gz LOGNHBSVZJBFSA-PKOBYXMFSA-N 1 0 378.394 3.776 20 30 GHEDRO C#CCC1([NH2+]CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000887123165 901444545 /nfs/dbraw/zinc/44/45/45/901444545.db2.gz BSFQGZASRYGYEQ-UHFFFAOYSA-N 1 0 392.499 3.756 20 30 GHEDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000091832278 901460511 /nfs/dbraw/zinc/46/05/11/901460511.db2.gz FEUYTQJTDKHJPQ-GOSISDBHSA-N 1 0 376.464 3.535 20 30 GHEDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092710160 901506221 /nfs/dbraw/zinc/50/62/21/901506221.db2.gz ZOOMRODQYDMXFH-FQEVSTJZSA-N 1 0 393.535 3.592 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1OC ZINC000093134554 901531695 /nfs/dbraw/zinc/53/16/95/901531695.db2.gz LLHOBUPASQJAMX-SFHVURJKSA-N 1 0 382.508 3.567 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000122775874 901846712 /nfs/dbraw/zinc/84/67/12/901846712.db2.gz SGNFWRWQEJKFJE-DYESRHJHSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000123057899 901890892 /nfs/dbraw/zinc/89/08/92/901890892.db2.gz GPRQBJKSLMHMLU-ZDUSSCGKSA-N 1 0 388.874 3.812 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3nc(C)c(C)s3)C[C@@H]2c2ccccc2)C1=O ZINC001144363572 901904792 /nfs/dbraw/zinc/90/47/92/901904792.db2.gz OEUVLRPAWATKAK-KNQAVFIVSA-N 1 0 381.545 3.764 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNc2nc(C)cc(C)c2C#N)cc1OC ZINC000576395415 901998973 /nfs/dbraw/zinc/99/89/73/901998973.db2.gz VBEHBFUMXMEKQJ-UHFFFAOYSA-N 1 0 382.508 3.911 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000576531762 902078982 /nfs/dbraw/zinc/07/89/82/902078982.db2.gz BNJIEFRSUAGLOR-NXAWJCCTSA-N 1 0 389.565 3.659 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000576601016 902120215 /nfs/dbraw/zinc/12/02/15/902120215.db2.gz RXZQCJBBEHVXLB-UHFFFAOYSA-N 1 0 384.911 3.617 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001171178906 902120621 /nfs/dbraw/zinc/12/06/21/902120621.db2.gz LSOVDRISFIFRHJ-VRXWPRPYSA-N 1 0 383.536 3.972 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])[C@@H](C)Cc3cccc(C#N)c3)nc3ccc(C)cc3n12 ZINC001171189467 902225490 /nfs/dbraw/zinc/22/54/90/902225490.db2.gz GVKFVCLGNUDELH-KRWDZBQOSA-N 1 0 398.514 3.767 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001144497228 902290772 /nfs/dbraw/zinc/29/07/72/902290772.db2.gz VTSBDMQWVLFZNB-UHFFFAOYSA-N 1 0 378.516 3.917 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)cc1 ZINC001144572475 902405486 /nfs/dbraw/zinc/40/54/86/902405486.db2.gz ZMWDVRAADCRJMU-BJKOFHAPSA-N 1 0 376.500 3.651 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000576991801 902416958 /nfs/dbraw/zinc/41/69/58/902416958.db2.gz ORZJLVDVKSBAPQ-HZPDHXFCSA-N 1 0 395.469 3.898 20 30 GHEDRO COc1sc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1Br ZINC000846005826 902586032 /nfs/dbraw/zinc/58/60/32/902586032.db2.gz CYMINXZVUGGIPB-HNNXBMFYSA-N 1 0 381.295 3.556 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1CCNC(=O)OC(C)(C)C ZINC000846049645 902635366 /nfs/dbraw/zinc/63/53/66/902635366.db2.gz OULYSVSGGDORQK-LPHOPBHVSA-N 1 0 397.523 3.721 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(C(=O)c3ccco3)C2)CC1 ZINC001171213136 902709108 /nfs/dbraw/zinc/70/91/08/902709108.db2.gz VMONHUIFYAFYRZ-GOSISDBHSA-N 1 0 377.488 3.711 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)/C=C/C(=O)c2ccccc2)CC1 ZINC001144708631 902714666 /nfs/dbraw/zinc/71/46/66/902714666.db2.gz ISEMMQGNXJVGAU-VAWYXSNFSA-N 1 0 380.463 3.688 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccccc3OCC#N)C2)s1 ZINC000846101173 902716684 /nfs/dbraw/zinc/71/66/84/902716684.db2.gz FRQUVEIVTODJLB-QGZVFWFLSA-N 1 0 383.517 3.553 20 30 GHEDRO COc1ccccc1[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000264048877 902806033 /nfs/dbraw/zinc/80/60/33/902806033.db2.gz APTXBYXETPSLSO-LJQANCHMSA-N 1 0 391.515 3.795 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000264082275 902832529 /nfs/dbraw/zinc/83/25/29/902832529.db2.gz HSZJGNXDRHAPED-UHFFFAOYSA-N 1 0 384.499 3.837 20 30 GHEDRO Cc1cccc(COc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cc2)c1 ZINC000600717748 902841847 /nfs/dbraw/zinc/84/18/47/902841847.db2.gz MZPRRQUHAUBWIF-QFIPXVFZSA-N 1 0 394.515 3.735 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CCC3)cc1 ZINC000600725418 902847730 /nfs/dbraw/zinc/84/77/30/902847730.db2.gz JKEOFUXEZKWBCF-RDJZCZTQSA-N 1 0 383.517 3.840 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000600730469 902853082 /nfs/dbraw/zinc/85/30/82/902853082.db2.gz HQVZCFQQLJRDFR-LBPRGKRZSA-N 1 0 377.204 3.612 20 30 GHEDRO CCOc1cc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)ccc1OC(F)F ZINC000264121556 902857476 /nfs/dbraw/zinc/85/74/76/902857476.db2.gz UZLAXUJDSLQSEV-UHFFFAOYSA-N 1 0 395.406 3.631 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000600784757 902908610 /nfs/dbraw/zinc/90/86/10/902908610.db2.gz KMRYSDGKWQMMMV-NRFANRHFSA-N 1 0 391.490 3.689 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000264355293 903041150 /nfs/dbraw/zinc/04/11/50/903041150.db2.gz DUUIBLBILXYOLD-CQSZACIVSA-N 1 0 391.466 3.832 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc(OC)c1OC ZINC000772946410 903123405 /nfs/dbraw/zinc/12/34/05/903123405.db2.gz MUZQTBBFVGTRKW-GCJKJVERSA-N 1 0 395.547 3.828 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887612488 903137834 /nfs/dbraw/zinc/13/78/34/903137834.db2.gz RXNINPWSLSSXAZ-UHFFFAOYSA-N 1 0 387.527 3.909 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1OC ZINC000772951391 903168241 /nfs/dbraw/zinc/16/82/41/903168241.db2.gz DIXUVKNCMKSHKY-MRXNPFEDSA-N 1 0 378.476 3.864 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC001171249063 903169582 /nfs/dbraw/zinc/16/95/82/903169582.db2.gz GZHLLYLOSGHWHS-AZUAARDMSA-N 1 0 385.508 3.658 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCc1ccc(Br)cc1 ZINC001275546061 914694934 /nfs/dbraw/zinc/69/49/34/914694934.db2.gz AFOBLOMNNVJDLU-LJQANCHMSA-N 1 0 377.326 3.635 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000132372398 903247064 /nfs/dbraw/zinc/24/70/64/903247064.db2.gz GNSGOUVZMZOFPL-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC000846856909 903275248 /nfs/dbraw/zinc/27/52/48/903275248.db2.gz FFRKSBGCYKNEMF-PXNSSMCTSA-N 1 0 382.451 3.544 20 30 GHEDRO COc1cc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)ccc1C#N ZINC000577905276 903327274 /nfs/dbraw/zinc/32/72/74/903327274.db2.gz REQQJLAUTAASMR-UHFFFAOYSA-N 1 0 385.261 3.895 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000577934978 903362509 /nfs/dbraw/zinc/36/25/09/903362509.db2.gz HFFLVYOGLAMJLI-UHFFFAOYSA-N 1 0 378.524 3.852 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]CCC3(O)CCN(c4ccccc4)CC3)cc2)CC1 ZINC000601149213 903393170 /nfs/dbraw/zinc/39/31/70/903393170.db2.gz HCJLEJBQLRDJTG-UHFFFAOYSA-N 1 0 375.516 3.753 20 30 GHEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000601163312 903411688 /nfs/dbraw/zinc/41/16/88/903411688.db2.gz FUNZEEFHQOBCMF-ZDUSSCGKSA-N 1 0 396.434 3.874 20 30 GHEDRO Cc1nc2cnc(Cl)cc2c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171274474 903466544 /nfs/dbraw/zinc/46/65/44/903466544.db2.gz JWTSMHLOHXDLAI-UHFFFAOYSA-N 1 0 392.894 3.957 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC[C@H]2CCCCO2)cc1 ZINC000134138545 903471743 /nfs/dbraw/zinc/47/17/43/903471743.db2.gz VCGAFTSYSCCIID-GOSISDBHSA-O 1 0 387.500 3.519 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@@H](CCC#N)c1ccc(OC)cc1)Cc1ccc(F)cc1C ZINC000578192136 903602072 /nfs/dbraw/zinc/60/20/72/903602072.db2.gz DHBOIZLRKQEPEE-KNQAVFIVSA-N 1 0 397.494 3.682 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000887727532 903663623 /nfs/dbraw/zinc/66/36/23/903663623.db2.gz NLFDCRCDMNGUTL-JOCHJYFZSA-N 1 0 377.488 3.614 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136500556 903787601 /nfs/dbraw/zinc/78/76/01/903787601.db2.gz CVSIRFNIETZDJT-LJQANCHMSA-O 1 0 397.564 3.718 20 30 GHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000578630503 904018327 /nfs/dbraw/zinc/01/83/27/904018327.db2.gz HKMVMZYMQJMLOJ-FIKGOQFSSA-N 1 0 393.487 3.533 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000151314537 904104041 /nfs/dbraw/zinc/10/40/41/904104041.db2.gz PDONJMAMVFPGGY-JQVVWYNYSA-N 1 0 398.551 3.562 20 30 GHEDRO CC(C)(CCC#N)c1ccc(C(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001148912541 904246915 /nfs/dbraw/zinc/24/69/15/904246915.db2.gz RNZHYBBWNRSQEF-MEMLXQNLSA-N 1 0 383.536 3.641 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(NCc2ccccc2OC2CCOCC2)cc1C#N ZINC001171385966 904448179 /nfs/dbraw/zinc/44/81/79/904448179.db2.gz UOSNNGCVIGWNBU-PCLIKHOPSA-N 1 0 378.476 3.950 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000579329879 904522514 /nfs/dbraw/zinc/52/25/14/904522514.db2.gz ZSYORKAGISESIY-KRWDZBQOSA-N 1 0 398.511 3.598 20 30 GHEDRO C=CCc1cc(C)cnc1NC1(C(=O)OC)CC[NH+](Cc2ccccc2)CC1 ZINC001171503661 904780510 /nfs/dbraw/zinc/78/05/10/904780510.db2.gz DJVWTDZEWFKKDL-UHFFFAOYSA-N 1 0 379.504 3.738 20 30 GHEDRO Cc1cc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000889833612 904788532 /nfs/dbraw/zinc/78/85/32/904788532.db2.gz ILRKMDZAXNSPDG-UHFFFAOYSA-N 1 0 376.504 3.713 20 30 GHEDRO COC(=O)C1(Nc2cccc(F)c2CC#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171511213 904788922 /nfs/dbraw/zinc/78/89/22/904788922.db2.gz NVQQAJMUDAAJGA-UHFFFAOYSA-N 1 0 381.451 3.511 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000779156026 904809609 /nfs/dbraw/zinc/80/96/09/904809609.db2.gz NRLAXCNERCNBQB-HNNXBMFYSA-N 1 0 378.900 3.699 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000779159993 904938579 /nfs/dbraw/zinc/93/85/79/904938579.db2.gz BXPQLOWHWBUGKF-QAPCUYQASA-N 1 0 390.524 3.864 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccn(-c4ccccc4F)n3)CC2)cc1 ZINC000188768764 904974656 /nfs/dbraw/zinc/97/46/56/904974656.db2.gz FSFJFSBHSVLHRU-UHFFFAOYSA-N 1 0 389.478 3.591 20 30 GHEDRO C=CC[N@H+](CCc1ccco1)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000779170330 905143065 /nfs/dbraw/zinc/14/30/65/905143065.db2.gz UCSNIIKQDNHGEW-UHFFFAOYSA-N 1 0 377.488 3.895 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001171920603 905149811 /nfs/dbraw/zinc/14/98/11/905149811.db2.gz JONYUECHYCBSIB-MOXWOTFGSA-N 1 0 385.552 3.963 20 30 GHEDRO C=CCOC(=O)N1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172087162 905302572 /nfs/dbraw/zinc/30/25/72/905302572.db2.gz KOCNWMIEUCQFBK-ZBYYUNFXSA-N 1 0 383.536 3.512 20 30 GHEDRO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)Cc2cn(CC3CC3)nc21 ZINC001172303980 905457264 /nfs/dbraw/zinc/45/72/64/905457264.db2.gz JJBLBXSSDXSPRA-JTSKRJEESA-N 1 0 378.520 3.732 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001172306265 905461243 /nfs/dbraw/zinc/46/12/43/905461243.db2.gz WBSIRRUEZFWOKQ-YKSBVNFPSA-N 1 0 375.516 3.861 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001172313187 905468902 /nfs/dbraw/zinc/46/89/02/905468902.db2.gz QZRKUZUEGCNYMD-LJQANCHMSA-N 1 0 383.499 3.768 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001172354765 905523780 /nfs/dbraw/zinc/52/37/80/905523780.db2.gz KQLFJDCEUBBOEB-GIWBLDEGSA-N 1 0 394.600 3.713 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172485542 905559852 /nfs/dbraw/zinc/55/98/52/905559852.db2.gz RCFOMHQQYDWGTJ-SFHVURJKSA-N 1 0 386.540 3.916 20 30 GHEDRO COC(=O)c1ccc([C@H](C[NH2+][C@@H](C)CCCC#N)NC(=O)OC(C)(C)C)cc1 ZINC001172491594 905595754 /nfs/dbraw/zinc/59/57/54/905595754.db2.gz OEPRKZLBSYJOMP-YJBOKZPZSA-N 1 0 389.496 3.711 20 30 GHEDRO C[C@@H](CCCC#N)N([C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1)S(C)(=O)=O ZINC001172493830 905597588 /nfs/dbraw/zinc/59/75/88/905597588.db2.gz WBGWCWMYOBBLGK-IOMROCGXSA-N 1 0 385.533 3.772 20 30 GHEDRO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@H+]([C@H](C)CCCC#N)CCO3)cs1 ZINC001172495912 905598070 /nfs/dbraw/zinc/59/80/70/905598070.db2.gz WJSHCJHTRQPFLO-IMFGXOCKSA-N 1 0 377.554 3.922 20 30 GHEDRO C#CCCC1(CC[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N=N1 ZINC001172536942 905641770 /nfs/dbraw/zinc/64/17/70/905641770.db2.gz YQIMPLIOJXJPFF-PCCBWWKXSA-N 1 0 378.520 3.873 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001172621466 905727983 /nfs/dbraw/zinc/72/79/83/905727983.db2.gz AKYBTUVYQGSMPI-GDBMZVCRSA-N 1 0 376.884 3.787 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172684430 905736872 /nfs/dbraw/zinc/73/68/72/905736872.db2.gz YLXJJGKNSKUVTM-OAQYLSRUSA-N 1 0 389.499 3.593 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H](C)CCC(=O)OC(C)C)cc(C#N)c21 ZINC001172761573 905804407 /nfs/dbraw/zinc/80/44/07/905804407.db2.gz SEXYTHFLZVOXLI-HOTGVXAUSA-N 1 0 383.492 3.814 20 30 GHEDRO C[C@@H](CSc1ccc(Cl)cc1)NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001172881281 905970318 /nfs/dbraw/zinc/97/03/18/905970318.db2.gz ZQNAECFXICDBOL-LBPRGKRZSA-N 1 0 382.938 3.630 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C[C@H]1C#N ZINC001172968031 906030095 /nfs/dbraw/zinc/03/00/95/906030095.db2.gz HCFVKHUNNYYUME-BZSNNMDCSA-N 1 0 393.915 3.645 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3ncco3)cc2)C[C@H]1C#N ZINC001172975105 906040496 /nfs/dbraw/zinc/04/04/96/906040496.db2.gz BALDTXIXYVSQHS-ROUUACIJSA-N 1 0 382.464 3.723 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C#N)(c3ccccc3)CC2)C[C@H]1C#N ZINC001172980251 906045426 /nfs/dbraw/zinc/04/54/26/906045426.db2.gz LWMAONAJRYJFIX-PMACEKPBSA-N 1 0 394.519 3.835 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(CC3CCC3)CCOCC2)C[C@H]1C#N ZINC001172978453 906046464 /nfs/dbraw/zinc/04/64/64/906046464.db2.gz QKHSRZLSRALWBL-MOPGFXCFSA-N 1 0 391.556 3.855 20 30 GHEDRO Cc1c(CC[NH3+])c2cc(O)ccc2n1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979042 906046481 /nfs/dbraw/zinc/04/64/81/906046481.db2.gz PJMOXIAEXISBCK-HOTGVXAUSA-N 1 0 398.507 3.621 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)C[C@H]1C#N ZINC001172981238 906047531 /nfs/dbraw/zinc/04/75/31/906047531.db2.gz URKFSOQMMKFNKG-WWGRRREGSA-N 1 0 379.398 3.502 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172984478 906049706 /nfs/dbraw/zinc/04/97/06/906049706.db2.gz LNWLNGNHQQIISX-TYPHKJRUSA-N 1 0 398.551 3.657 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000190473577 906051566 /nfs/dbraw/zinc/05/15/66/906051566.db2.gz URMKLRSQZBIFIM-UHFFFAOYSA-N 1 0 399.416 3.519 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(Cc4ccccc4O3)CC2)C[C@H]1C#N ZINC001172989685 906053877 /nfs/dbraw/zinc/05/38/77/906053877.db2.gz JNCIFSUFGDYQQE-MOPGFXCFSA-N 1 0 397.519 3.748 20 30 GHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177272630 906084691 /nfs/dbraw/zinc/08/46/91/906084691.db2.gz MUQIPSQGDNIOFI-OALUTQOASA-N 1 0 393.497 3.547 20 30 GHEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001173090001 906148382 /nfs/dbraw/zinc/14/83/82/906148382.db2.gz ZFCVDMPGYIUYFI-HNNXBMFYSA-N 1 0 390.409 3.605 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC(=[NH2+])c2ccc3ccccc3n2)c1F ZINC001173183257 906265006 /nfs/dbraw/zinc/26/50/06/906265006.db2.gz LSMZSZUFFUYNRN-LBPRGKRZSA-N 1 0 382.395 3.627 20 30 GHEDRO N#CCC1CCC([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CC1 ZINC001173334658 906377906 /nfs/dbraw/zinc/37/79/06/906377906.db2.gz ZIIOETFZFCSIQN-UHFFFAOYSA-N 1 0 394.968 3.892 20 30 GHEDRO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccncc3Br)C2)C1=O ZINC001276004067 921230863 /nfs/dbraw/zinc/23/08/63/921230863.db2.gz QNIHDGXKLNEVSK-FQEVSTJZSA-N 1 0 398.304 3.520 20 30 GHEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173376970 906406901 /nfs/dbraw/zinc/40/69/01/906406901.db2.gz GZVCPTBKVBVCTH-KZNAEPCWSA-N 1 0 379.541 3.848 20 30 GHEDRO C#CC1CC[NH+]([C@@H]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173392219 906419259 /nfs/dbraw/zinc/41/92/59/906419259.db2.gz OSRDQACGGXWOFJ-QRVBRYPASA-N 1 0 391.552 3.800 20 30 GHEDRO CCCCN(CC#N)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173398664 906424845 /nfs/dbraw/zinc/42/48/45/906424845.db2.gz BYPTYYYYQMMWQO-UHFFFAOYSA-N 1 0 378.314 3.679 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(N(CC[NH3+])c3cccc4ccccc43)CC2)cc1 ZINC001173421318 906456675 /nfs/dbraw/zinc/45/66/75/906456675.db2.gz SPXBGZTZCNDQIZ-UHFFFAOYSA-N 1 0 398.510 3.781 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4ccc(Cl)cc4C3)CC2)cc1 ZINC001173424805 906460425 /nfs/dbraw/zinc/46/04/25/906460425.db2.gz LIUBROAQYVUFEA-QFIPXVFZSA-N 1 0 393.918 3.963 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCCc4c(F)cccc43)CC2)cc1 ZINC001173428861 906465340 /nfs/dbraw/zinc/46/53/40/906465340.db2.gz XNGBLNVYXLZXMA-JOCHJYFZSA-N 1 0 377.463 3.969 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCC3(C[C@H]3C(=O)OCC)CC1)CCO2 ZINC001173610761 906564304 /nfs/dbraw/zinc/56/43/04/906564304.db2.gz IHCOPSFRMAAWNM-XSTDKQPNSA-N 1 0 391.552 3.572 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[C@@H](CC(=O)OCC)C1)CC2 ZINC001173640818 906626074 /nfs/dbraw/zinc/62/60/74/906626074.db2.gz MTJBGBIDRPHZGP-MOPGFXCFSA-N 1 0 392.540 3.609 20 30 GHEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180550918 906791729 /nfs/dbraw/zinc/79/17/29/906791729.db2.gz VUHGGDRNJXIMDG-INIZCTEOSA-N 1 0 385.895 3.769 20 30 GHEDRO N#CCCn1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccccc2)n1 ZINC000180781096 906844654 /nfs/dbraw/zinc/84/46/54/906844654.db2.gz MXNFLVRUMIMJKI-OFNKIYASSA-N 1 0 389.547 3.912 20 30 GHEDRO CCOc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181488819 907012234 /nfs/dbraw/zinc/01/22/34/907012234.db2.gz BBSYRAKPABTMCI-UHFFFAOYSA-N 1 0 379.504 3.720 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(OCC#N)cc1 ZINC000181572886 907029132 /nfs/dbraw/zinc/02/91/32/907029132.db2.gz ZXZBHPMTHGRFFP-MOPGFXCFSA-N 1 0 379.504 3.660 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000182015601 907116396 /nfs/dbraw/zinc/11/63/96/907116396.db2.gz WTKKPULATPYHGT-UHFFFAOYSA-N 1 0 389.528 3.831 20 30 GHEDRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000182026177 907117844 /nfs/dbraw/zinc/11/78/44/907117844.db2.gz XTXQGOCTKHRZEK-ACJLOTCBSA-N 1 0 375.266 3.736 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(c3nc(C(=O)OCC)cs3)CC2)cc1 ZINC000192036198 907370275 /nfs/dbraw/zinc/37/02/75/907370275.db2.gz YRQDQOLFMJBCTK-UHFFFAOYSA-N 1 0 384.501 3.711 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000184354710 907568543 /nfs/dbraw/zinc/56/85/43/907568543.db2.gz HNAMIRNHINGOCW-RBUKOAKNSA-N 1 0 384.524 3.953 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184793988 907659018 /nfs/dbraw/zinc/65/90/18/907659018.db2.gz RXJBMKVMYXDQJB-CQSZACIVSA-N 1 0 386.521 3.540 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cccc(C#N)c3F)C2)O1 ZINC001175686487 907693440 /nfs/dbraw/zinc/69/34/40/907693440.db2.gz FSDSQVNNNZJILZ-FDDCHVKYSA-N 1 0 379.479 3.563 20 30 GHEDRO CC(C)(C)OCc1cc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000186825444 907990475 /nfs/dbraw/zinc/99/04/75/907990475.db2.gz JBOMJCUHICIOLK-UHFFFAOYSA-N 1 0 382.508 3.616 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000186956928 908010825 /nfs/dbraw/zinc/01/08/25/908010825.db2.gz WLJGQKIVQJRIIK-UHFFFAOYSA-N 1 0 391.422 3.535 20 30 GHEDRO O=C(c1ccc2c(c1)CCO2)C(C(=S)NCc1cccs1)[n+]1ccccc1 ZINC000192984785 908042415 /nfs/dbraw/zinc/04/24/15/908042415.db2.gz WUSVBSDOJKLWFU-UHFFFAOYSA-O 1 0 395.529 3.699 20 30 GHEDRO CSCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC001176798310 908253798 /nfs/dbraw/zinc/25/37/98/908253798.db2.gz NTSFTFTVEDTBAR-UHFFFAOYSA-N 1 0 384.549 3.695 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000189566674 908350676 /nfs/dbraw/zinc/35/06/76/908350676.db2.gz FBWLZZNYXHKZMD-OAHLLOKOSA-N 1 0 393.915 3.527 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1SC ZINC000190607764 908506909 /nfs/dbraw/zinc/50/69/09/908506909.db2.gz FQUDBZCLVKYDER-BEFAXECRSA-N 1 0 395.528 3.740 20 30 GHEDRO Cn1cc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1C#N ZINC000190860112 908535340 /nfs/dbraw/zinc/53/53/40/908535340.db2.gz SZKUEDXMAPYMOF-UHFFFAOYSA-N 1 0 377.410 3.754 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc(OC)c1O ZINC001177471047 908583390 /nfs/dbraw/zinc/58/33/90/908583390.db2.gz MTQBDIOKPDFEJS-FQEVSTJZSA-N 1 0 396.487 3.537 20 30 GHEDRO Cc1c[nH]c(C)c1CCC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001177593828 908656345 /nfs/dbraw/zinc/65/63/45/908656345.db2.gz VSBJQCICWWDNFR-MEMLXQNLSA-N 1 0 378.520 3.735 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(OCC#N)cc1 ZINC000191835427 908682570 /nfs/dbraw/zinc/68/25/70/908682570.db2.gz WHDSIYAKFRRKGR-AUSIDOKSSA-N 1 0 379.504 3.531 20 30 GHEDRO N#C[C@@H](Cc1cccs1)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001177910238 908796796 /nfs/dbraw/zinc/79/67/96/908796796.db2.gz XQDWOOHBHZLGNS-LDNJSWSKSA-N 1 0 395.572 3.852 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001177917707 908801470 /nfs/dbraw/zinc/80/14/70/908801470.db2.gz LQBYHBOKFWBRFJ-BZSNNMDCSA-N 1 0 385.508 3.868 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)CC1 ZINC000194122448 908859340 /nfs/dbraw/zinc/85/93/40/908859340.db2.gz IXOWKFRNPSPNOL-UHFFFAOYSA-N 1 0 377.488 3.751 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CC1 ZINC000194416820 908880473 /nfs/dbraw/zinc/88/04/73/908880473.db2.gz MNWZWCRHHQTFLT-UHFFFAOYSA-N 1 0 376.325 3.591 20 30 GHEDRO COC(=O)c1cccc(NN=C(C)c2ccc(OC)c(C[NH+]3CCCC3)c2)c1 ZINC000779828613 908956219 /nfs/dbraw/zinc/95/62/19/908956219.db2.gz ZMDYRGCHZOUPAL-UHFFFAOYSA-N 1 0 381.476 3.914 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000195452521 909004946 /nfs/dbraw/zinc/00/49/46/909004946.db2.gz PPFCEKMVUMZJCM-UHFFFAOYSA-N 1 0 375.472 3.950 20 30 GHEDRO FC(F)COCC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC001178496613 909056848 /nfs/dbraw/zinc/05/68/48/909056848.db2.gz CZYLIBYSOGUYKJ-GFCCVEGCSA-N 1 0 381.263 3.930 20 30 GHEDRO N#Cc1ccc(NC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)c(O)c1 ZINC001178591347 909114389 /nfs/dbraw/zinc/11/43/89/909114389.db2.gz RMBHLINYLZLXEZ-UHFFFAOYSA-N 1 0 383.451 3.924 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC001178608904 909142561 /nfs/dbraw/zinc/14/25/61/909142561.db2.gz ABYQWZIYJAGKRE-CQSZACIVSA-N 1 0 395.247 3.540 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1 ZINC000266440933 909162083 /nfs/dbraw/zinc/16/20/83/909162083.db2.gz GPFXVZRESFSPOK-IRXDYDNUSA-N 1 0 381.476 3.690 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc(Br)sc1Br ZINC001179286004 909449377 /nfs/dbraw/zinc/44/93/77/909449377.db2.gz WBUIAXQYVUMTKZ-SNVBAGLBSA-N 1 0 381.133 3.791 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1OC ZINC001179348154 909476258 /nfs/dbraw/zinc/47/62/58/909476258.db2.gz PPWSRXNFEVYFCW-MRHIQRDNSA-N 1 0 384.314 3.924 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)cc1C#N ZINC001179447799 909526509 /nfs/dbraw/zinc/52/65/09/909526509.db2.gz RREHPJLJJSCCPY-UHFFFAOYSA-N 1 0 396.878 3.786 20 30 GHEDRO COc1ccc(OCc2nc(C[NH2+][C@H]3Cc4ccc(C#N)cc4C3)cs2)cc1 ZINC001179419876 909531128 /nfs/dbraw/zinc/53/11/28/909531128.db2.gz VUJHXEFWBXHKMM-SFHVURJKSA-N 1 0 391.496 3.859 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000795333345 909962438 /nfs/dbraw/zinc/96/24/38/909962438.db2.gz NPPUAJMIJTXTEG-GDBMZVCRSA-N 1 0 385.851 3.799 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000795335091 909963974 /nfs/dbraw/zinc/96/39/74/909963974.db2.gz UJKJLJSEJCLMNS-GHTZIAJQSA-N 1 0 377.463 3.685 20 30 GHEDRO C[N@H+]1CC[C@H]2CN(C(=O)C[C@@H](C#N)c3c(Cl)cccc3Cl)C[C@H]2CC1 ZINC001274442389 909986385 /nfs/dbraw/zinc/98/63/85/909986385.db2.gz ABLQAIPMPMJLHF-ZNMIVQPWSA-N 1 0 380.319 3.791 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c(-c2ccccc2)n1 ZINC000269340060 910224615 /nfs/dbraw/zinc/22/46/15/910224615.db2.gz OTGXZNJHRRZTHA-FQEVSTJZSA-N 1 0 396.560 3.998 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000269441964 910268868 /nfs/dbraw/zinc/26/88/68/910268868.db2.gz STNGWZMVXORCMR-INIZCTEOSA-N 1 0 380.467 3.804 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CSCCN2Cc2ccccc2)C1 ZINC001180848172 910393431 /nfs/dbraw/zinc/39/34/31/910393431.db2.gz GONPEIYPRQNNGF-KOENEWCDSA-N 1 0 377.557 3.818 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000270199353 910477685 /nfs/dbraw/zinc/47/76/85/910477685.db2.gz JBPVXJDRJVIEKB-PMACEKPBSA-N 1 0 382.508 3.640 20 30 GHEDRO C#CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1)c1ccccc1 ZINC000270264502 910499780 /nfs/dbraw/zinc/49/97/80/910499780.db2.gz WMTDCCUDLHTTFD-WIYYLYMNSA-N 1 0 394.515 3.795 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001181357554 910722896 /nfs/dbraw/zinc/72/28/96/910722896.db2.gz IXZXGDCVHJKXFT-NFBKMPQASA-N 1 0 393.616 3.776 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271441358 910907429 /nfs/dbraw/zinc/90/74/29/910907429.db2.gz GLYQHNRJMJPCMI-AWEZNQCLSA-N 1 0 379.428 3.546 20 30 GHEDRO C[C@H](C#N)OCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000801920836 921625066 /nfs/dbraw/zinc/62/50/66/921625066.db2.gz UGBHSRPEOMLKDV-OAHLLOKOSA-N 1 0 382.439 3.756 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000271676730 911009765 /nfs/dbraw/zinc/00/97/65/911009765.db2.gz OEFIQBUUSSQPCS-FUHWJXTLSA-N 1 0 383.517 3.733 20 30 GHEDRO COC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000271691774 911016345 /nfs/dbraw/zinc/01/63/45/911016345.db2.gz FKDOHTHULLQOCY-AWEZNQCLSA-N 1 0 375.538 3.574 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000274305375 911298227 /nfs/dbraw/zinc/29/82/27/911298227.db2.gz TZANPXVSHJLYAO-UHFFFAOYSA-N 1 0 394.494 3.551 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(N(C)C)cc2)ccc1F ZINC000283961565 911705280 /nfs/dbraw/zinc/70/52/80/911705280.db2.gz GBXOLJQQTQJXIN-UHFFFAOYSA-O 1 0 386.516 3.569 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)CCN2C2CC2)c1 ZINC000801958616 921685201 /nfs/dbraw/zinc/68/52/01/921685201.db2.gz KURSOOXPJLSNPY-XZOQPEGZSA-N 1 0 377.488 3.665 20 30 GHEDRO CCOc1ccc(O)c(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000092704477 911724187 /nfs/dbraw/zinc/72/41/87/911724187.db2.gz SUGLAXKGMYCUEY-UHFFFAOYSA-N 1 0 388.471 3.533 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)c21 ZINC001182582204 911885540 /nfs/dbraw/zinc/88/55/40/911885540.db2.gz CMDWCFKLKVHAJW-UHFFFAOYSA-N 1 0 388.471 3.695 20 30 GHEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000284995154 912110187 /nfs/dbraw/zinc/11/01/87/912110187.db2.gz GPUHIGWOCOREGL-IBGZPJMESA-N 1 0 379.460 3.732 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc(OCC#N)cc1 ZINC000291160554 915013762 /nfs/dbraw/zinc/01/37/62/915013762.db2.gz ILSTUPXSFMRZNU-IRXDYDNUSA-N 1 0 378.476 3.920 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)cc1 ZINC000303670799 915031097 /nfs/dbraw/zinc/03/10/97/915031097.db2.gz PBLWSGMEADSFRV-NRFANRHFSA-N 1 0 384.907 3.906 20 30 GHEDRO N#Cc1cc(Br)cnc1NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001187182019 915073175 /nfs/dbraw/zinc/07/31/75/915073175.db2.gz BDRHZQAUUPNBPK-UHFFFAOYSA-N 1 0 380.249 3.888 20 30 GHEDRO CN(C)C(NCc1ccc(C(=O)N2CCCCC2)cc1)=[NH+]Cc1ccccc1 ZINC000303791391 915131569 /nfs/dbraw/zinc/13/15/69/915131569.db2.gz XMWNMTRIXAAADW-UHFFFAOYSA-N 1 0 378.520 3.520 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000802009802 921747734 /nfs/dbraw/zinc/74/77/34/921747734.db2.gz UHOBOWYNRBKADY-JOCHJYFZSA-N 1 0 385.508 3.812 20 30 GHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCc2sccc2C1 ZINC000303874875 915233672 /nfs/dbraw/zinc/23/36/72/915233672.db2.gz HLIDDPHJRBNVOX-LBPRGKRZSA-N 1 0 398.454 3.820 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1nncn1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000303879616 915238428 /nfs/dbraw/zinc/23/84/28/915238428.db2.gz GRZWUROEKOXDMQ-LBPRGKRZSA-N 1 0 389.290 3.740 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000303880167 915293623 /nfs/dbraw/zinc/29/36/23/915293623.db2.gz HACVSTOXAKEERM-KRWDZBQOSA-N 1 0 382.508 3.737 20 30 GHEDRO [NH2+]=C(NCc1ccccc1OCC(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000303890254 915299793 /nfs/dbraw/zinc/29/97/93/915299793.db2.gz PYNDWZLEANJOTJ-UHFFFAOYSA-N 1 0 395.381 3.716 20 30 GHEDRO CCCCCCCCNC(=[NH2+])NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000303895522 915301459 /nfs/dbraw/zinc/30/14/59/915301459.db2.gz TYHBZQXJUCDNSZ-UHFFFAOYSA-N 1 0 378.536 3.552 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000303898646 915302832 /nfs/dbraw/zinc/30/28/32/915302832.db2.gz VOKZQSOFSSQMQH-QGZVFWFLSA-N 1 0 395.425 3.995 20 30 GHEDRO CCOCCOCc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)c1 ZINC000303900037 915303552 /nfs/dbraw/zinc/30/35/52/915303552.db2.gz RZGIJOBSSGBKRQ-UHFFFAOYSA-N 1 0 391.899 3.829 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000303901119 915303931 /nfs/dbraw/zinc/30/39/31/915303931.db2.gz SMICTHFRGMQSBQ-GOSISDBHSA-N 1 0 380.536 3.959 20 30 GHEDRO O=C(C[NH+]=C(Nc1ccccc1)N1CCCCC1)N1CCc2ccccc2C1 ZINC000303976403 915345654 /nfs/dbraw/zinc/34/56/54/915345654.db2.gz KDWWRLMWLFAKBL-UHFFFAOYSA-N 1 0 376.504 3.525 20 30 GHEDRO CC(C)c1nc(CCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)cs1 ZINC000303981052 915347250 /nfs/dbraw/zinc/34/72/50/915347250.db2.gz ORVUSYQLUZHDQA-UHFFFAOYSA-N 1 0 391.972 3.599 20 30 GHEDRO C[C@H](NC(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2N1C)c1cccc(C#N)c1 ZINC001187631038 915400018 /nfs/dbraw/zinc/40/00/18/915400018.db2.gz FPPATKJPHWCHPW-ZEQOWXNWSA-N 1 0 375.472 3.580 20 30 GHEDRO [NH2+]=C(NCc1ccc(OCC(F)(F)F)cc1)N[C@H]1CCOc2ccccc21 ZINC000304473610 915517119 /nfs/dbraw/zinc/51/71/19/915517119.db2.gz GDEZQNDTINBKDT-INIZCTEOSA-N 1 0 379.382 3.556 20 30 GHEDRO [NH2+]=C(NC[C@H](O)COc1ccc(F)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304485148 915525063 /nfs/dbraw/zinc/52/50/63/915525063.db2.gz JSYJQASWTVRPRF-SFHVURJKSA-N 1 0 395.434 3.785 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC2CCC2)cc1 ZINC000292230456 915571951 /nfs/dbraw/zinc/57/19/51/915571951.db2.gz AXWJPJWSGVTSLM-UHFFFAOYSA-O 1 0 388.944 3.774 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc2c1CCCC2 ZINC000304647913 915585504 /nfs/dbraw/zinc/58/55/04/915585504.db2.gz FSAWGZLLEQIXIM-UHFFFAOYSA-N 1 0 392.547 3.701 20 30 GHEDRO [NH2+]=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)Nc1cccc2c1CCCC2 ZINC000304675077 915591824 /nfs/dbraw/zinc/59/18/24/915591824.db2.gz NBWSXANOTCBXOX-QFIPXVFZSA-N 1 0 396.510 3.505 20 30 GHEDRO COc1cccc([C@@H](O)CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304740612 915668835 /nfs/dbraw/zinc/66/88/35/915668835.db2.gz BUPMWPHVLWZLTD-DIFFPNOSSA-N 1 0 382.291 3.701 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCCOCC1CCOCC1)c1ccc(Cl)cc1Cl ZINC000304756046 915672557 /nfs/dbraw/zinc/67/25/57/915672557.db2.gz NIOMZOYRMLWVTR-ZDUSSCGKSA-N 1 0 388.339 3.792 20 30 GHEDRO COc1cccc(NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000304757682 915673914 /nfs/dbraw/zinc/67/39/14/915673914.db2.gz PCHAYUBFPWMGQE-GOSISDBHSA-N 1 0 384.480 3.688 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCCCO[C@@H]2CCCc3ccccc32)cc1OC ZINC000304760124 915699256 /nfs/dbraw/zinc/69/92/56/915699256.db2.gz RXTKRORBKRVZAR-HXUWFJFHSA-N 1 0 397.519 3.592 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cc(N(C)C)nc3ccccc23)cc1Cl ZINC000304782308 915700534 /nfs/dbraw/zinc/70/05/34/915700534.db2.gz GSUNKLWFBLFSQU-UHFFFAOYSA-N 1 0 383.883 3.890 20 30 GHEDRO CCCCCCCCS(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC001188012952 915705897 /nfs/dbraw/zinc/70/58/97/915705897.db2.gz LHQJGEQMWVJLDQ-UHFFFAOYSA-N 1 0 381.586 3.849 20 30 GHEDRO COc1ccccc1O[C@@H](C)CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304805936 915720844 /nfs/dbraw/zinc/72/08/44/915720844.db2.gz RRKYYYOSVALKQJ-LBPRGKRZSA-N 1 0 383.370 3.788 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2csc(-c3ccccc3)n2)c1 ZINC000304845755 915743622 /nfs/dbraw/zinc/74/36/22/915743622.db2.gz TZOMRALVQDPATH-UHFFFAOYSA-N 1 0 382.489 3.797 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1C ZINC000305138503 915945701 /nfs/dbraw/zinc/94/57/01/915945701.db2.gz LSEDTWHXLBWTLY-MRXNPFEDSA-N 1 0 395.425 3.780 20 30 GHEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1 ZINC000775185346 916094568 /nfs/dbraw/zinc/09/45/68/916094568.db2.gz ZZNDWEIPCAXONT-QGZVFWFLSA-N 1 0 396.487 3.565 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000775192666 916150006 /nfs/dbraw/zinc/15/00/06/916150006.db2.gz OENKUOJQCXCOAC-UHFFFAOYSA-N 1 0 377.532 3.854 20 30 GHEDRO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC001188727931 916160139 /nfs/dbraw/zinc/16/01/39/916160139.db2.gz QKYQWLIJTCUOKW-QFIPXVFZSA-N 1 0 376.500 3.803 20 30 GHEDRO C#Cc1ccc(C(=O)N(c2cc(OC)cc3cccnc32)[C@H](C)CCC[NH3+])cc1 ZINC001188739708 916168673 /nfs/dbraw/zinc/16/86/73/916168673.db2.gz OLXDINRDKWSCLA-QGZVFWFLSA-N 1 0 387.483 3.999 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(Br)c3)CC2)C1=O ZINC001275709609 916239780 /nfs/dbraw/zinc/23/97/80/916239780.db2.gz OCYJXVJYQBQGEY-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO Cc1c[nH+]ccc1N1CCN(C(=O)c2ccc(C#C[Si](C)(C)C)cc2)CC1 ZINC001189170316 916468564 /nfs/dbraw/zinc/46/85/64/916468564.db2.gz VKTCKTFQFVETSS-UHFFFAOYSA-N 1 0 377.564 3.581 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000796418865 916820112 /nfs/dbraw/zinc/82/01/12/916820112.db2.gz PRTTZJCWATVHEH-HSZRJFAPSA-N 1 0 380.488 3.700 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(c4cccc(F)c4)CC3)CC2)cc1 ZINC000362033881 917044711 /nfs/dbraw/zinc/04/47/11/917044711.db2.gz WFYRALSJLKRZLN-UHFFFAOYSA-N 1 0 392.522 3.920 20 30 GHEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000362040602 917048044 /nfs/dbraw/zinc/04/80/44/917048044.db2.gz QBSCCELDCSYKGS-KRWDZBQOSA-N 1 0 397.544 3.671 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)C[C@@H](O)c1ccccc1Br ZINC000295381786 917297520 /nfs/dbraw/zinc/29/75/20/917297520.db2.gz QQHFTBANMISGIZ-QGZVFWFLSA-N 1 0 381.314 3.515 20 30 GHEDRO N#CCCn1cc(C(=O)C[NH+]2CCC3(CCC(O)CC3)CC2)c2ccccc21 ZINC000295600106 917376250 /nfs/dbraw/zinc/37/62/50/917376250.db2.gz CHHOZTPGESCBLQ-UHFFFAOYSA-N 1 0 379.504 3.755 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000362798133 917425153 /nfs/dbraw/zinc/42/51/53/917425153.db2.gz RXDIDWNZLZWIOO-HKUYNNGSSA-N 1 0 378.476 3.716 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1ccccc1 ZINC000775398817 917437102 /nfs/dbraw/zinc/43/71/02/917437102.db2.gz MFAAGPSDNIEZGY-KRWDZBQOSA-N 1 0 391.334 3.823 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1cc(C)nn1-c1ccccc1F)c1ccccc1 ZINC000775398832 917437271 /nfs/dbraw/zinc/43/72/71/917437271.db2.gz CCKYUZHYBJBPTF-IBGZPJMESA-N 1 0 376.435 3.613 20 30 GHEDRO COc1cccc(C2([NH3+])CCN(C(=O)c3cccc(C(C)(C)C#N)c3)CC2)c1 ZINC001190956347 917695060 /nfs/dbraw/zinc/69/50/60/917695060.db2.gz HFTHIDVELZNQFO-UHFFFAOYSA-N 1 0 377.488 3.587 20 30 GHEDRO CCCCCCCNC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001191093963 917780817 /nfs/dbraw/zinc/78/08/17/917780817.db2.gz QQJAMWPAILAELC-HKBOAZHASA-N 1 0 389.588 3.736 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000653640494 918377490 /nfs/dbraw/zinc/37/74/90/918377490.db2.gz NYISVCKFNQYLDO-UXHICEINSA-N 1 0 391.922 3.960 20 30 GHEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(Cl)cc1 ZINC000113177633 919362452 /nfs/dbraw/zinc/36/24/52/919362452.db2.gz UDHYUAFTEUAESL-IBGZPJMESA-N 1 0 385.920 3.883 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[NH+]2CCCCC2)cc1 ZINC000297891942 919930060 /nfs/dbraw/zinc/93/00/60/919930060.db2.gz RSVSLHJOWITCHK-CUWPLCDZSA-N 1 0 384.524 3.604 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c(OC)c1 ZINC000800399959 920031742 /nfs/dbraw/zinc/03/17/42/920031742.db2.gz VNNQXLBMWUUQTP-PMACEKPBSA-N 1 0 387.907 3.574 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000298336292 920415904 /nfs/dbraw/zinc/41/59/04/920415904.db2.gz BFBUOQYTZPOCAK-UHFFFAOYSA-N 1 0 381.451 3.707 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900630558 920471500 /nfs/dbraw/zinc/47/15/00/920471500.db2.gz NRELVTCDXUEHQO-WWDZGPRUSA-N 1 0 387.549 3.768 20 30 GHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000298462249 920563322 /nfs/dbraw/zinc/56/33/22/920563322.db2.gz NPQREDHAUJYXDU-MRXNPFEDSA-N 1 0 377.513 3.924 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000800993265 920674874 /nfs/dbraw/zinc/67/48/74/920674874.db2.gz JHLRISVDOLJOFS-DENIHFKCSA-N 1 0 376.500 3.583 20 30 GHEDRO COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000008531955 921927856 /nfs/dbraw/zinc/92/78/56/921927856.db2.gz HSNJKNGTJBCJFV-CYBMUJFWSA-N 1 0 387.867 3.688 20 30 GHEDRO C=CC[NH+]1CCC(NCc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)CC1 ZINC000802644582 922288391 /nfs/dbraw/zinc/28/83/91/922288391.db2.gz JGUPMSHSDHMGSE-UHFFFAOYSA-N 1 0 387.959 3.640 20 30 GHEDRO COc1cc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)ccc1F ZINC000802659998 922319982 /nfs/dbraw/zinc/31/99/82/922319982.db2.gz VKGXXEWEFMIALP-UHFFFAOYSA-N 1 0 382.483 3.506 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C#N)c1 ZINC000902758980 922472860 /nfs/dbraw/zinc/47/28/60/922472860.db2.gz MKCUKCCOCWKJAZ-RBBKRZOGSA-N 1 0 376.504 3.501 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000368330611 922603244 /nfs/dbraw/zinc/60/32/44/922603244.db2.gz XDCNALGIKZVLFB-DLBZAZTESA-N 1 0 387.549 3.910 20 30 GHEDRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2cc(C#N)ccn2)cc1Br ZINC000903012534 922710087 /nfs/dbraw/zinc/71/00/87/922710087.db2.gz QDQQJRKQWITMSH-PBHICJAKSA-N 1 0 388.309 3.526 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000369084865 923098367 /nfs/dbraw/zinc/09/83/67/923098367.db2.gz OQTISCRVMZFLGP-SVFBPWRDSA-N 1 0 392.528 3.501 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000369617736 923489433 /nfs/dbraw/zinc/48/94/33/923489433.db2.gz QWHDQFYDDGKLOK-YBOAYWMSSA-N 1 0 386.459 3.513 20 30 GHEDRO C=CCC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000678603647 924837342 /nfs/dbraw/zinc/83/73/42/924837342.db2.gz ATNXMMGVMFIYGG-QGZVFWFLSA-N 1 0 390.471 3.726 20 30 GHEDRO N#Cc1csc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1 ZINC000827400601 925440216 /nfs/dbraw/zinc/44/02/16/925440216.db2.gz CFOPTFRQSXCMAZ-OAHLLOKOSA-N 1 0 385.455 3.633 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CCOCC1 ZINC000410422058 925632730 /nfs/dbraw/zinc/63/27/30/925632730.db2.gz UYJDYJKECNCCQH-HXUWFJFHSA-N 1 0 384.524 3.763 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000372852805 925744609 /nfs/dbraw/zinc/74/46/09/925744609.db2.gz WIGFBLKLEYPGOX-QXATTWAWSA-N 1 0 386.459 3.513 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCOCC1 ZINC000827559650 925812187 /nfs/dbraw/zinc/81/21/87/925812187.db2.gz HRXZOWGFKYZVLV-WCIQWLHISA-N 1 0 376.541 3.573 20 30 GHEDRO CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000411059968 926033834 /nfs/dbraw/zinc/03/38/34/926033834.db2.gz GAZDWSJJKVTBCS-UHFFFAOYSA-N 1 0 379.485 3.562 20 30 GHEDRO CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000411057771 926036483 /nfs/dbraw/zinc/03/64/83/926036483.db2.gz QEYUAKXYVGFZPP-HUUCEWRRSA-N 1 0 381.398 3.608 20 30 GHEDRO CN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000373472786 926166906 /nfs/dbraw/zinc/16/69/06/926166906.db2.gz ZKCQJBWUTLEWMU-OAQYLSRUSA-N 1 0 390.531 3.634 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000411412437 926375024 /nfs/dbraw/zinc/37/50/24/926375024.db2.gz ICSCYPYEIVVECD-FCHUYYIVSA-N 1 0 391.515 3.699 20 30 GHEDRO CCC1CCC([N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C2CC2)CC1 ZINC000725768159 926431548 /nfs/dbraw/zinc/43/15/48/926431548.db2.gz LDWIJSRBWLIBRE-RNNUUBKPSA-N 1 0 394.519 3.716 20 30 GHEDRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C(C)(C)C)cn1 ZINC000411476257 926434179 /nfs/dbraw/zinc/43/41/79/926434179.db2.gz PEKOADJKVMZEGP-SFHVURJKSA-N 1 0 385.537 3.548 20 30 GHEDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)c2c1 ZINC000725779649 926435775 /nfs/dbraw/zinc/43/57/75/926435775.db2.gz PVTYRVKYGHPWBJ-UHFFFAOYSA-N 1 0 391.446 3.887 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@]3(C)CCO[C@@H]3C3CC3)sc2C1 ZINC000411513498 926469637 /nfs/dbraw/zinc/46/96/37/926469637.db2.gz PFBSTYDABLIRPM-WHIIXXIBSA-N 1 0 387.549 3.620 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1)C(C)C ZINC000726052782 926539081 /nfs/dbraw/zinc/53/90/81/926539081.db2.gz AGWAXIBJXMUUSR-QGZVFWFLSA-N 1 0 393.487 3.973 20 30 GHEDRO Cc1ccncc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411664053 926620958 /nfs/dbraw/zinc/62/09/58/926620958.db2.gz IMCLVJRRAXMNNS-CQSZACIVSA-N 1 0 382.533 3.909 20 30 GHEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411686592 926641530 /nfs/dbraw/zinc/64/15/30/926641530.db2.gz DIWHIHMTMNBNLD-QFIPXVFZSA-N 1 0 390.531 3.777 20 30 GHEDRO C#Cc1cccc(NC(=S)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000726484310 926699562 /nfs/dbraw/zinc/69/95/62/926699562.db2.gz BEQILQWFUZNCSH-UHFFFAOYSA-N 1 0 393.556 3.875 20 30 GHEDRO C[C@@H](NC(=O)[C@H](C)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000374292348 926990205 /nfs/dbraw/zinc/99/02/05/926990205.db2.gz NDOHWUVKDJGXFK-SJORKVTESA-N 1 0 396.922 3.858 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000412370778 927386105 /nfs/dbraw/zinc/38/61/05/927386105.db2.gz PJNUDNYBBPEKND-NEWJYFPISA-N 1 0 385.511 3.642 20 30 GHEDRO N#CC1(NC(=O)Cc2c(F)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000374882328 927649866 /nfs/dbraw/zinc/64/98/66/927649866.db2.gz WXSHXIAGLKIWJK-UHFFFAOYSA-N 1 0 385.870 3.696 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC2(CCOCC2)[C@H]1C(C)C)C(C)C ZINC000413122220 928231336 /nfs/dbraw/zinc/23/13/36/928231336.db2.gz YWFDLUPRLGSPMG-WOJBJXKFSA-N 1 0 377.573 3.532 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCC2N=Nc2nc3ccccc3c(=O)n2C)C1 ZINC000751521933 928233495 /nfs/dbraw/zinc/23/34/95/928233495.db2.gz RYUOLGKQQQPZDS-YRNRMSPPSA-N 1 0 381.524 3.622 20 30 GHEDRO Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413137899 928247182 /nfs/dbraw/zinc/24/71/82/928247182.db2.gz CILWLFIAXXDDOL-CYBMUJFWSA-N 1 0 386.481 3.566 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)CC2)nc1 ZINC000375526304 928398540 /nfs/dbraw/zinc/39/85/40/928398540.db2.gz UNWJTSSXMKEUGM-QHCPKHFHSA-N 1 0 387.462 3.835 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000413352836 928471529 /nfs/dbraw/zinc/47/15/29/928471529.db2.gz CYYACHWEUHPIIR-NRFANRHFSA-N 1 0 393.535 3.549 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1 ZINC000752129610 928629622 /nfs/dbraw/zinc/62/96/22/928629622.db2.gz NDSYWRBVDQIYEZ-IZZNHLLZSA-N 1 0 398.506 3.928 20 30 GHEDRO C=CCN1CCC2(CC[NH+](CCCc3cccc(Br)c3)CC2)C1=O ZINC001276272979 929087041 /nfs/dbraw/zinc/08/70/41/929087041.db2.gz GRZZPJTTWKXIHR-UHFFFAOYSA-N 1 0 391.353 3.882 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCC[NH+]2CCCC2)cc1C ZINC000467670381 929289109 /nfs/dbraw/zinc/28/91/09/929289109.db2.gz XPXZQCJHOLQBLV-UHFFFAOYSA-N 1 0 393.535 3.639 20 30 GHEDRO FC(F)(F)c1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc(C(F)(F)F)c1 ZINC000753934723 929599865 /nfs/dbraw/zinc/59/98/65/929599865.db2.gz JTMPJPHPKBTMSX-STQMWFEESA-N 1 0 378.320 3.918 20 30 GHEDRO CCOc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)ccc1OCc1ccccc1 ZINC000753935671 929600004 /nfs/dbraw/zinc/60/00/04/929600004.db2.gz PFEWWUXDAYYFTP-PMACEKPBSA-N 1 0 392.503 3.858 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1OCc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000469332763 929795561 /nfs/dbraw/zinc/79/55/61/929795561.db2.gz KQKBLMXAWILDCO-QZTJIDSGSA-N 1 0 377.488 3.867 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000757797714 929803913 /nfs/dbraw/zinc/80/39/13/929803913.db2.gz ZOHDRHOBSHUXEP-QRWLVFNGSA-N 1 0 376.460 3.955 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc(C#N)ccc1F ZINC000469435365 929884219 /nfs/dbraw/zinc/88/42/19/929884219.db2.gz AXYQXVSMOSVSAS-OAQYLSRUSA-N 1 0 382.483 3.653 20 30 GHEDRO COCCn1cc2c(n1)[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)CCC2 ZINC000546224433 929972224 /nfs/dbraw/zinc/97/22/24/929972224.db2.gz ZNVRESAZVFUFRQ-WQMHRJNTSA-N 1 0 378.520 3.901 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469757853 930140451 /nfs/dbraw/zinc/14/04/51/930140451.db2.gz UMUQSUZCHAYVKR-MRXNPFEDSA-N 1 0 393.409 3.698 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000758791816 930169443 /nfs/dbraw/zinc/16/94/43/930169443.db2.gz JWAQXCCJWVRNJZ-SJORKVTESA-N 1 0 382.508 3.936 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(F)c(C)cc1F)[n+]1ccc2c(c1)CCCC2 ZINC000759050947 930258142 /nfs/dbraw/zinc/25/81/42/930258142.db2.gz NZTVPJVISXLGKP-UHFFFAOYSA-O 1 0 399.486 3.874 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc2c(c1)CCCC2 ZINC000759053357 930258764 /nfs/dbraw/zinc/25/87/64/930258764.db2.gz AHTQLCAOUDUTFY-UHFFFAOYSA-O 1 0 377.533 3.904 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC([NH2+]C)CC2)cc1OCC ZINC000469991790 930299937 /nfs/dbraw/zinc/29/99/37/930299937.db2.gz KJBJDSQYTQZUHU-UHFFFAOYSA-N 1 0 383.330 3.596 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(OC(F)(F)F)c1 ZINC000470024483 930324842 /nfs/dbraw/zinc/32/48/42/930324842.db2.gz MFQQLACXEWWMIQ-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000759351908 930348157 /nfs/dbraw/zinc/34/81/57/930348157.db2.gz QHJITUCKQMDUPY-UHFFFAOYSA-N 1 0 385.305 3.564 20 30 GHEDRO COc1cccc(-c2nn(C(C)(C)C)cc2C=NNCC[NH+]2CCCCC2)c1 ZINC000759654215 930440296 /nfs/dbraw/zinc/44/02/96/930440296.db2.gz XFLBEEXCTXYGOO-UHFFFAOYSA-N 1 0 383.540 3.723 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000780745577 930589954 /nfs/dbraw/zinc/58/99/54/930589954.db2.gz RKYRFJKGDPFVGR-FCHUYYIVSA-N 1 0 376.504 3.861 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCO2 ZINC000780745204 930590078 /nfs/dbraw/zinc/59/00/78/930590078.db2.gz OUUKXLIAZUHRSW-RTWAWAEBSA-N 1 0 375.472 3.729 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCc2nc(C)sc21)C(C)C ZINC000780821820 930608209 /nfs/dbraw/zinc/60/82/09/930608209.db2.gz XJABNXKXRMZZTO-ZWKOTPCHSA-N 1 0 376.570 3.827 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781211376 930742968 /nfs/dbraw/zinc/74/29/68/930742968.db2.gz KPEAKZDUYXGZLT-DOTOQJQBSA-N 1 0 380.492 3.633 20 30 GHEDRO N#Cc1ccc(OCCC[NH2+][C@@H](CCO)c2ccccc2Br)cc1 ZINC000782103987 931091722 /nfs/dbraw/zinc/09/17/22/931091722.db2.gz XAGQGLORECEODM-IBGZPJMESA-N 1 0 389.293 3.803 20 30 GHEDRO CN(C(=O)CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000471016186 931096418 /nfs/dbraw/zinc/09/64/18/931096418.db2.gz BXDQCXXJKOIVPL-NRFANRHFSA-N 1 0 396.922 3.575 20 30 GHEDRO S=C(NN=Cc1cc(Cl)cs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000782133504 931096584 /nfs/dbraw/zinc/09/65/84/931096584.db2.gz YKCZZOMUQICOPL-UHFFFAOYSA-N 1 0 392.981 3.864 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000782686294 931301521 /nfs/dbraw/zinc/30/15/21/931301521.db2.gz BKOCZXAAXUIXPJ-UHFFFAOYSA-N 1 0 394.519 3.980 20 30 GHEDRO Cc1ccc(C2CC[NH+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)cn1 ZINC000783020551 931386974 /nfs/dbraw/zinc/38/69/74/931386974.db2.gz PYTIRMOHCBCGCF-FQEVSTJZSA-N 1 0 397.482 3.807 20 30 GHEDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924947702 931592720 /nfs/dbraw/zinc/59/27/20/931592720.db2.gz FGTSJMZCVVRVSX-JKSUJKDBSA-N 1 0 389.544 3.699 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1ncnc2sc3c(c21)CCC3 ZINC000783799656 931659480 /nfs/dbraw/zinc/65/94/80/931659480.db2.gz LZERSBQFOOWYPN-UHFFFAOYSA-N 1 0 375.461 3.515 20 30 GHEDRO CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2cn(-c3cc[nH+]cc3)nc2C)C1=O ZINC000783812441 931664473 /nfs/dbraw/zinc/66/44/73/931664473.db2.gz RLYJWGWFYIEBGG-OAQYLSRUSA-N 1 0 396.495 3.581 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(CCO)CCCC1 ZINC000925193676 931696432 /nfs/dbraw/zinc/69/64/32/931696432.db2.gz HMADKRKXKWTEGN-SFHVURJKSA-N 1 0 393.572 3.838 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000925281346 931729939 /nfs/dbraw/zinc/72/99/39/931729939.db2.gz XKPXHJFXPADVIG-NCXUSEDFSA-N 1 0 391.556 3.853 20 30 GHEDRO CCCc1c(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000784469095 931905926 /nfs/dbraw/zinc/90/59/26/931905926.db2.gz QBYBFBSSXCOQFO-QGZVFWFLSA-N 1 0 394.523 3.692 20 30 GHEDRO C#CCCOc1ccc(CNc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)cc1 ZINC000784638249 931965611 /nfs/dbraw/zinc/96/56/11/931965611.db2.gz LDUZUMXQRYTYDI-UHFFFAOYSA-N 1 0 378.516 3.830 20 30 GHEDRO CCC(CC)[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)N1CCOCC1 ZINC000558490712 932032444 /nfs/dbraw/zinc/03/24/44/932032444.db2.gz DXNBUNDBCFOOCX-IBGZPJMESA-N 1 0 383.458 3.804 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000796759547 932057336 /nfs/dbraw/zinc/05/73/36/932057336.db2.gz JTKQYUQZVSKDJX-BHIYHBOVSA-N 1 0 390.524 3.659 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796759557 932057379 /nfs/dbraw/zinc/05/73/79/932057379.db2.gz JTKQYUQZVSKDJX-YTQUADARSA-N 1 0 390.524 3.659 20 30 GHEDRO N#CCCc1ccc(NC(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1 ZINC000926195626 932078990 /nfs/dbraw/zinc/07/89/90/932078990.db2.gz ZAAQDXSGNRZCBU-NQIIRXRSSA-N 1 0 380.467 3.797 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000796947237 932118510 /nfs/dbraw/zinc/11/85/10/932118510.db2.gz JGWYGSKQRHJTIY-IBGZPJMESA-N 1 0 398.551 3.906 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000796973359 932130985 /nfs/dbraw/zinc/13/09/85/932130985.db2.gz POJIMAHZQLGGGP-YLJYHZDGSA-N 1 0 398.551 3.905 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000797113320 932187544 /nfs/dbraw/zinc/18/75/44/932187544.db2.gz LSRAPWJXNIDBBS-PBHICJAKSA-N 1 0 392.849 3.732 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926530901 932218897 /nfs/dbraw/zinc/21/88/97/932218897.db2.gz CQFBMLUTMGJYMZ-KSZLIROESA-N 1 0 377.529 3.629 20 30 GHEDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926533759 932220149 /nfs/dbraw/zinc/22/01/49/932220149.db2.gz UKASQZDOSOFXBC-IRXDYDNUSA-N 1 0 389.544 3.873 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCC[C@@H]1CCOC1 ZINC000926543995 932223070 /nfs/dbraw/zinc/22/30/70/932223070.db2.gz NUWPCICLWOJREX-ZWKOTPCHSA-N 1 0 379.545 3.712 20 30 GHEDRO C=C1CCC(CNC(=O)N(C)C[C@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)CC1 ZINC000926547553 932224904 /nfs/dbraw/zinc/22/49/04/932224904.db2.gz IYBYURFSNKTJJO-TZIWHRDSSA-N 1 0 387.572 3.581 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)COc1ccccc1C#N ZINC000797344647 932257905 /nfs/dbraw/zinc/25/79/05/932257905.db2.gz ZOPDPWWNUOFHPE-NRFANRHFSA-N 1 0 378.472 3.781 20 30 GHEDRO Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)n(C)n1 ZINC000926662476 932265639 /nfs/dbraw/zinc/26/56/39/932265639.db2.gz ROFVFRJAOGQMGL-QPPBQGQZSA-N 1 0 391.563 3.566 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1SCCS1 ZINC000926726441 932283680 /nfs/dbraw/zinc/28/36/80/932283680.db2.gz OFZHSJCMVWBWIB-AWEZNQCLSA-N 1 0 385.599 3.702 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000558984092 932355760 /nfs/dbraw/zinc/35/57/60/932355760.db2.gz MGXMHHJHMRRNTB-NQIIRXRSSA-N 1 0 395.551 3.699 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000558990391 932358419 /nfs/dbraw/zinc/35/84/19/932358419.db2.gz WQGDMMCYOOICQM-UHFFFAOYSA-N 1 0 395.551 3.582 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798487813 932669051 /nfs/dbraw/zinc/66/90/51/932669051.db2.gz YKLWJASXIMMCNN-HSZRJFAPSA-N 1 0 392.503 3.991 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000798935340 932823173 /nfs/dbraw/zinc/82/31/73/932823173.db2.gz OSLYCNJSHDTYCG-INIZCTEOSA-N 1 0 385.895 3.930 20 30 GHEDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000799634387 933072620 /nfs/dbraw/zinc/07/26/20/933072620.db2.gz WOLHSVAABYELSR-LJQANCHMSA-N 1 0 387.405 3.890 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1OC ZINC000560550197 933334347 /nfs/dbraw/zinc/33/43/47/933334347.db2.gz JHXDTSLJJPBUHI-OXJNMPFZSA-N 1 0 393.487 3.730 20 30 GHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cccc21 ZINC000560688080 933459499 /nfs/dbraw/zinc/45/94/99/933459499.db2.gz BGIYYKXTVQTDTR-IBGZPJMESA-N 1 0 381.451 3.999 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000929709136 933586184 /nfs/dbraw/zinc/58/61/84/933586184.db2.gz KITUBFGPLUMOET-GOSISDBHSA-N 1 0 393.491 3.941 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000929709137 933586349 /nfs/dbraw/zinc/58/63/49/933586349.db2.gz KITUBFGPLUMOET-SFHVURJKSA-N 1 0 393.491 3.941 20 30 GHEDRO CCO[C@H](C)c1nc(CN2CC[NH+](CC3CCC(C#N)CC3)CC2)cs1 ZINC000929722372 933593744 /nfs/dbraw/zinc/59/37/44/933593744.db2.gz AOWLOIYWRMNJER-WWDZGPRUSA-N 1 0 376.570 3.688 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000929935219 933716167 /nfs/dbraw/zinc/71/61/67/933716167.db2.gz OWUUGPIIOXYDAM-IBGZPJMESA-N 1 0 398.551 3.696 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000560997682 933764107 /nfs/dbraw/zinc/76/41/07/933764107.db2.gz MDXSCFMNXOMOGH-CRAIPNDOSA-N 1 0 380.423 3.705 20 30 GHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H]1[NH+]1CCCC1 ZINC000561306864 934039954 /nfs/dbraw/zinc/03/99/54/934039954.db2.gz TZHFGEGVECEUPS-HUUCEWRRSA-N 1 0 392.450 3.540 20 30 GHEDRO C#CC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001118124620 934091908 /nfs/dbraw/zinc/09/19/08/934091908.db2.gz ITXDIOPEQUPDLQ-QFBILLFUSA-N 1 0 377.891 3.527 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H](CO)CC2CCOCC2)cc1 ZINC001118352124 934142712 /nfs/dbraw/zinc/14/27/12/934142712.db2.gz XAYKBTNSKWMEPI-QFIPXVFZSA-N 1 0 395.547 3.978 20 30 GHEDRO C[C@](O)(C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)C(F)(F)C(F)(F)F ZINC000930695461 934189674 /nfs/dbraw/zinc/18/96/74/934189674.db2.gz LZBGVFZCIBFQDI-MNOVXSKESA-N 1 0 399.322 3.616 20 30 GHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H](C)C1 ZINC000561760012 934429465 /nfs/dbraw/zinc/42/94/65/934429465.db2.gz FSIJACVSJUPSNX-XGHQBKJUSA-N 1 0 390.487 3.548 20 30 GHEDRO C=CCCCCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000561866340 934518875 /nfs/dbraw/zinc/51/88/75/934518875.db2.gz GDKGOTHSRAJTAM-UHFFFAOYSA-N 1 0 387.549 3.678 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000561877685 934530600 /nfs/dbraw/zinc/53/06/00/934530600.db2.gz IBMOTOOTQYCXLX-JOCHJYFZSA-N 1 0 379.504 3.616 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)nc1Cl ZINC001121238647 934598738 /nfs/dbraw/zinc/59/87/38/934598738.db2.gz ZBBZZYMLKOUWER-UHFFFAOYSA-N 1 0 394.906 3.834 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC[C@@H](COC)C1 ZINC001121495977 934674301 /nfs/dbraw/zinc/67/43/01/934674301.db2.gz UJWSJKNFBYHVDK-QUCCMNQESA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N(CC(C)C)CC1CC[NH+](C)CC1 ZINC001121546518 934693309 /nfs/dbraw/zinc/69/33/09/934693309.db2.gz BQGHTOKSIVYNFF-UHFFFAOYSA-N 1 0 386.544 3.540 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121581599 934705049 /nfs/dbraw/zinc/70/50/49/934705049.db2.gz OFTZMVVRMQJORX-IBGZPJMESA-N 1 0 396.583 3.624 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001121608277 934713697 /nfs/dbraw/zinc/71/36/97/934713697.db2.gz DQWUWRZQEQIUID-LJQANCHMSA-N 1 0 392.551 3.657 20 30 GHEDRO C=CCn1c(-c2cc(Cl)ccc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121613197 934715547 /nfs/dbraw/zinc/71/55/47/934715547.db2.gz VUJJZUGTQFYTQH-UHFFFAOYSA-N 1 0 389.931 3.760 20 30 GHEDRO COc1cc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)ccc1C#N ZINC000562252445 934789034 /nfs/dbraw/zinc/78/90/34/934789034.db2.gz JVHQOSKNYLKUPC-NRFANRHFSA-N 1 0 392.503 3.512 20 30 GHEDRO N#CCCCCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccccc1 ZINC001122143555 934831142 /nfs/dbraw/zinc/83/11/42/934831142.db2.gz MVZKHPJXLISOFI-NRFANRHFSA-N 1 0 392.551 3.627 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC001122489999 934881667 /nfs/dbraw/zinc/88/16/67/934881667.db2.gz DMWXUGBFHBSPQH-UHFFFAOYSA-N 1 0 387.478 3.504 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001122705912 934956055 /nfs/dbraw/zinc/95/60/55/934956055.db2.gz DTYIOFAYBMHZED-VNTMZGSJSA-N 1 0 384.572 3.652 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001122705909 934956247 /nfs/dbraw/zinc/95/62/47/934956247.db2.gz DTYIOFAYBMHZED-IYWMVGAKSA-N 1 0 384.572 3.652 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2CC(C)C)C1 ZINC001122815003 934996900 /nfs/dbraw/zinc/99/69/00/934996900.db2.gz XPIFZUPJWDXZRC-XXBNENTESA-N 1 0 398.599 3.828 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3SCc3ccc(C#N)cc3)[C@H]2C1 ZINC001124024757 935331044 /nfs/dbraw/zinc/33/10/44/935331044.db2.gz CNXCKQHJMMQQCE-SESVDKBCSA-N 1 0 391.540 3.921 20 30 GHEDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC001124133561 935347524 /nfs/dbraw/zinc/34/75/24/935347524.db2.gz WMKPEWNSHJDLDO-LJQANCHMSA-N 1 0 395.551 3.931 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC001125042014 935513851 /nfs/dbraw/zinc/51/38/51/935513851.db2.gz FMJCFZQWTFDNMO-FQEVSTJZSA-N 1 0 388.552 3.919 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC001125042015 935513971 /nfs/dbraw/zinc/51/39/71/935513971.db2.gz FMJCFZQWTFDNMO-HXUWFJFHSA-N 1 0 388.552 3.919 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cc(F)c(C#N)c(F)c3)cc2)CC1 ZINC000828342873 935615954 /nfs/dbraw/zinc/61/59/54/935615954.db2.gz RZLKGCSWZXPFAF-UHFFFAOYSA-N 1 0 398.457 3.867 20 30 GHEDRO COCC[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(C#N)cc1Br)C2 ZINC001137635625 935651273 /nfs/dbraw/zinc/65/12/73/935651273.db2.gz NKVYYYRFIATREE-APWZRJJASA-N 1 0 393.325 3.728 20 30 GHEDRO COc1ccc(C[NH+]2CCC(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c1 ZINC001137699626 935731206 /nfs/dbraw/zinc/73/12/06/935731206.db2.gz NZQCZJWAJQNWHZ-UHFFFAOYSA-N 1 0 385.508 3.646 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c(C#N)c1 ZINC001137702534 935733150 /nfs/dbraw/zinc/73/31/50/935733150.db2.gz QTWYCIOBWONTSU-GGAORHGYSA-N 1 0 377.488 3.781 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1C#N ZINC001137706161 935735677 /nfs/dbraw/zinc/73/56/77/935735677.db2.gz QAVRAYSYIHXCNU-FGZHOGPDSA-N 1 0 378.472 3.878 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C12CCCC2 ZINC000829629612 935835863 /nfs/dbraw/zinc/83/58/63/935835863.db2.gz IFEABGWBOUJFPA-PWIZWCRZSA-N 1 0 390.487 3.551 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001137902925 935856669 /nfs/dbraw/zinc/85/66/69/935856669.db2.gz XUIXDSLJEBLZSU-XMMPIXPASA-N 1 0 390.531 3.623 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000829812575 935866912 /nfs/dbraw/zinc/86/69/12/935866912.db2.gz YVQTZOALVJGINH-TZIWHRDSSA-N 1 0 376.504 3.905 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000468259587 1015515947 /nfs/dbraw/zinc/51/59/47/1015515947.db2.gz KPRIPOIYNHYLNB-CALCHBBNSA-N 1 0 380.492 3.701 20 30 GHEDRO C=C1CC=C(F)C=C1NC(=O)[C@@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001220797189 1032125721 /nfs/dbraw/zinc/12/57/21/1032125721.db2.gz LOLRALLDGFITDO-OAQYLSRUSA-N 1 0 381.451 3.583 20 30 GHEDRO CCC(CC)CN(CCC#N)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000468907457 1016200763 /nfs/dbraw/zinc/20/07/63/1016200763.db2.gz KPEKRWBYDHIBGB-UHFFFAOYSA-N 1 0 384.568 3.686 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000468914089 1016209485 /nfs/dbraw/zinc/20/94/85/1016209485.db2.gz IXYWXGOVFDITFR-YCRPNKLZSA-N 1 0 393.462 3.942 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cc(F)cc(Br)c1 ZINC000469079236 1016428873 /nfs/dbraw/zinc/42/88/73/1016428873.db2.gz SQZFBOGRAOCRGL-XHDPSFHLSA-N 1 0 382.277 3.580 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469116870 1016511385 /nfs/dbraw/zinc/51/13/85/1016511385.db2.gz VOCXJOCJBJSVGI-HOTGVXAUSA-N 1 0 380.492 3.700 20 30 GHEDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925223267 1017050695 /nfs/dbraw/zinc/05/06/95/1017050695.db2.gz BNPNHBXJBHLTGJ-ROUUACIJSA-N 1 0 386.540 3.922 20 30 GHEDRO C=CCN1C[C@]2(CC[N@@H+](Cc3cc(CCCCCC)cs3)C2)OCC1=O ZINC001276818633 1032273809 /nfs/dbraw/zinc/27/38/09/1032273809.db2.gz QKHBSGOXSITCHA-OAQYLSRUSA-N 1 0 376.566 3.860 20 30 GHEDRO N#Cc1cc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)nc2ccc(Cl)cc12 ZINC001154854612 1032311998 /nfs/dbraw/zinc/31/19/98/1032311998.db2.gz JMXDLBUXBUGQQQ-UHFFFAOYSA-N 1 0 377.757 3.610 20 30 GHEDRO N#Cc1cccc(CCC(=O)N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)c1 ZINC001221205621 1032330207 /nfs/dbraw/zinc/33/02/07/1032330207.db2.gz ZPGGDQXFCSXGED-QFIPXVFZSA-N 1 0 379.479 3.877 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N[C@H]3CCC[C@H]([NH3+])C3)c(Cl)nn2)cc1 ZINC001154988408 1032369879 /nfs/dbraw/zinc/36/98/79/1032369879.db2.gz CWBFHIYMHCDERZ-KBPBESRZSA-N 1 0 377.826 3.577 20 30 GHEDRO C[N@@H+]1CC[C@H](Oc2ccc(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)cc2)C1 ZINC001227593835 1032477961 /nfs/dbraw/zinc/47/79/61/1032477961.db2.gz STVWIEPFHQCORH-QHYPBZIUSA-N 1 0 391.467 3.730 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)ccc1OC ZINC000925398582 1017078892 /nfs/dbraw/zinc/07/88/92/1017078892.db2.gz ZFVZIRAFBOOJBD-OXQOHEQNSA-N 1 0 391.475 3.808 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)ccc1Cl ZINC000558114080 1017118210 /nfs/dbraw/zinc/11/82/10/1017118210.db2.gz BQCRBWTUSDCLIW-MRXNPFEDSA-N 1 0 377.916 3.521 20 30 GHEDRO CCN1CCN(c2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2F)CC1 ZINC000558149037 1017125750 /nfs/dbraw/zinc/12/57/50/1017125750.db2.gz QQAUMQSMDAXKBA-UHFFFAOYSA-N 1 0 398.457 3.667 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(C#N)cc1 ZINC000558741664 1017277275 /nfs/dbraw/zinc/27/72/75/1017277275.db2.gz JOXHTJYLJOPZGV-SNVBAGLBSA-N 1 0 394.219 3.888 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000558999825 1017333364 /nfs/dbraw/zinc/33/33/64/1017333364.db2.gz RHYHOKKEXAMNNJ-QRVBRYPASA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000558999823 1017333782 /nfs/dbraw/zinc/33/37/82/1017333782.db2.gz RHYHOKKEXAMNNJ-GBESFXJTSA-N 1 0 389.588 3.693 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(F)c(Cl)c4)C3)CC2=O)c1 ZINC001204282532 1032725036 /nfs/dbraw/zinc/72/50/36/1032725036.db2.gz HXXZDDZMJSFARM-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001155833595 1032733085 /nfs/dbraw/zinc/73/30/85/1032733085.db2.gz LMUGSPBATNFQLZ-FXAWDEMLSA-N 1 0 399.882 3.507 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2cccc(CC#N)c2)CCOCC1 ZINC000931689208 1018028516 /nfs/dbraw/zinc/02/85/16/1018028516.db2.gz UNEUPTQUKRPIPY-UHFFFAOYSA-N 1 0 392.503 3.555 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)cc1 ZINC001204300911 1032743304 /nfs/dbraw/zinc/74/33/04/1032743304.db2.gz WVHAITRPWGNKGA-JOCHJYFZSA-N 1 0 397.544 3.641 20 30 GHEDRO N#CC1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000778112528 1018577918 /nfs/dbraw/zinc/57/79/18/1018577918.db2.gz GARCFSKGPYZVDV-UHFFFAOYSA-N 1 0 398.850 3.536 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2Cl)cc1 ZINC000562748504 1018597212 /nfs/dbraw/zinc/59/72/12/1018597212.db2.gz FUFGQLQBQPFLAK-GASCZTMLSA-N 1 0 382.851 3.687 20 30 GHEDRO COc1c(C)cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000778112869 1018597467 /nfs/dbraw/zinc/59/74/67/1018597467.db2.gz GBQNJYFAUGWHGK-UHFFFAOYSA-N 1 0 377.488 3.600 20 30 GHEDRO C/C(=C\c1ccc(F)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000778114743 1018615948 /nfs/dbraw/zinc/61/59/48/1018615948.db2.gz UFNZGODGBBLWRD-OBGWFSINSA-N 1 0 377.463 3.904 20 30 GHEDRO C[C@@H](Cc1ccc(F)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000778114789 1018616420 /nfs/dbraw/zinc/61/64/20/1018616420.db2.gz OGKLNXGCHTXKSX-SFHVURJKSA-N 1 0 379.479 3.679 20 30 GHEDRO O=C1CCC(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000932945340 1018776917 /nfs/dbraw/zinc/77/69/17/1018776917.db2.gz VYZHFJXRZQOHFG-PHIMTYICSA-N 1 0 379.291 3.849 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC ZINC000564612835 1019093796 /nfs/dbraw/zinc/09/37/96/1019093796.db2.gz CGIDPUJVOQJMKT-QGZVFWFLSA-N 1 0 396.539 3.938 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565765458 1019205000 /nfs/dbraw/zinc/20/50/00/1019205000.db2.gz ORPCYKVXWWNHMN-PDIWNELESA-N 1 0 388.515 3.927 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccc(C#N)cc2)C1 ZINC000567672034 1019328989 /nfs/dbraw/zinc/32/89/89/1019328989.db2.gz SAFZDAPKMQQAOA-UHFFFAOYSA-N 1 0 386.499 3.942 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000570862322 1019649111 /nfs/dbraw/zinc/64/91/11/1019649111.db2.gz LYFXJJOAHQENQI-AOMKIAJQSA-N 1 0 397.544 3.927 20 30 GHEDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)C1 ZINC000571694058 1019699762 /nfs/dbraw/zinc/69/97/62/1019699762.db2.gz LROANCYJSPJLHT-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC000156694548 1019703024 /nfs/dbraw/zinc/70/30/24/1019703024.db2.gz GCNBDJRJTSTFKG-SFTDATJTSA-N 1 0 378.497 3.889 20 30 GHEDRO Cc1cc(C)n2c(C[NH2+]C3CCC(Oc4ccccc4C#N)CC3)cnc2n1 ZINC000156715509 1019709643 /nfs/dbraw/zinc/70/96/43/1019709643.db2.gz CXRXWRTWAACAQJ-UHFFFAOYSA-N 1 0 375.476 3.698 20 30 GHEDRO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000572201780 1019752794 /nfs/dbraw/zinc/75/27/94/1019752794.db2.gz SSDWGUYLOGYKCJ-JOCHJYFZSA-N 1 0 395.478 3.650 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572640105 1019789847 /nfs/dbraw/zinc/78/98/47/1019789847.db2.gz WTDJOLMCKCIEQP-ACJLOTCBSA-N 1 0 387.846 3.560 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)/C=C/c2ccccc2C#N)C[C@H](C)O1 ZINC000046344938 1019857257 /nfs/dbraw/zinc/85/72/57/1019857257.db2.gz ICXPQIKBXHTEGS-JZYAGYNQSA-N 1 0 375.472 3.819 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)c1 ZINC000576580749 1020037962 /nfs/dbraw/zinc/03/79/62/1020037962.db2.gz ARBZFYRTSZSWKT-QGZVFWFLSA-N 1 0 384.524 3.511 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)nn(-c3ccccc3)c1C)C2 ZINC001204449929 1032893003 /nfs/dbraw/zinc/89/30/03/1032893003.db2.gz YKLTWLKNGXWUPC-JTHBVZDNSA-N 1 0 381.520 3.815 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)c1C#N ZINC001156206765 1032923432 /nfs/dbraw/zinc/92/34/32/1032923432.db2.gz NOIWFFYQHWBFHJ-UHFFFAOYSA-N 1 0 386.286 3.922 20 30 GHEDRO CN(CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1cc[nH+]cc1 ZINC000779520571 1020839038 /nfs/dbraw/zinc/83/90/38/1020839038.db2.gz PHFQRTAHPWQTHS-UHFFFAOYSA-N 1 0 376.485 3.824 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[NH+](CC(C)C)CC2)c1=S ZINC000192525084 1020885190 /nfs/dbraw/zinc/88/51/90/1020885190.db2.gz LGEQALWTTAPZMF-UHFFFAOYSA-N 1 0 385.581 3.807 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634341128 1020947405 /nfs/dbraw/zinc/94/74/05/1020947405.db2.gz MDXLJJQWRHFGET-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ccncc3)o2)c(Br)c1 ZINC000779808355 1020954666 /nfs/dbraw/zinc/95/46/66/1020954666.db2.gz JNYSKJPAHXMZMA-UHFFFAOYSA-N 1 0 387.193 3.880 20 30 GHEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCC(C)(C#N)CC2)c1=S ZINC000779878287 1020972516 /nfs/dbraw/zinc/97/25/16/1020972516.db2.gz FKZLWNLZHBFKSJ-MRXNPFEDSA-N 1 0 378.590 3.810 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccnc(O[C@H](C)CC(C)C)c2)c1 ZINC000304747402 1021153754 /nfs/dbraw/zinc/15/37/54/1021153754.db2.gz GJUXBIHAXKMHBL-OAHLLOKOSA-N 1 0 386.496 3.839 20 30 GHEDRO [NH2+]=C(NCCCO[C@H]1CCCc2ccccc21)N[C@@H]1CCOc2ccccc21 ZINC000304750057 1021153910 /nfs/dbraw/zinc/15/39/10/1021153910.db2.gz IBWLETPEQDJFBY-RTWAWAEBSA-N 1 0 379.504 3.899 20 30 GHEDRO COc1cccc(NC(=[NH2+])NC[C@H](C)Oc2ccccc2Br)c1 ZINC000304750165 1021154627 /nfs/dbraw/zinc/15/46/27/1021154627.db2.gz WWVKBPHGNRKSID-LBPRGKRZSA-N 1 0 378.270 3.652 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(Br)cc1N)CC2 ZINC001140223222 1021186354 /nfs/dbraw/zinc/18/63/54/1021186354.db2.gz UARZUUVLEWRPRW-IBGZPJMESA-N 1 0 392.341 3.564 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(-c3cncnc3)cc1)CC2 ZINC001140355882 1021485082 /nfs/dbraw/zinc/48/50/82/1021485082.db2.gz ZYAYARIKLBDXPJ-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140399673 1021565744 /nfs/dbraw/zinc/56/57/44/1021565744.db2.gz MGXQVVKVVBKDEX-FYYLOGMGSA-N 1 0 397.494 3.856 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001140409752 1021593323 /nfs/dbraw/zinc/59/33/23/1021593323.db2.gz XWKFXWHPDZOEDY-UHFFFAOYSA-N 1 0 396.922 3.940 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC([NH+]3CCCCC3)C2)c2cc(C#N)ccc21 ZINC001140439442 1021711252 /nfs/dbraw/zinc/71/12/52/1021711252.db2.gz DUNWQVFBFSXJCI-UHFFFAOYSA-N 1 0 394.519 3.966 20 30 GHEDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140440683 1021714047 /nfs/dbraw/zinc/71/40/47/1021714047.db2.gz FMUWGZAGXRQLIZ-LJQANCHMSA-N 1 0 394.519 3.965 20 30 GHEDRO CC[N@H+](CCC(=O)OC)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140440406 1021714863 /nfs/dbraw/zinc/71/48/63/1021714863.db2.gz BXDGJVDUBAYCRN-UHFFFAOYSA-N 1 0 385.464 3.681 20 30 GHEDRO c1ccc(C[N@@H+]2CCC(N=Nc3nc(-c4ccncc4)no3)[C@H]3CCC[C@@H]32)cc1 ZINC000834952257 1021728110 /nfs/dbraw/zinc/72/81/10/1021728110.db2.gz NSSLLVYHYDVEDO-QUCCMNQESA-N 1 0 388.475 3.974 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cn2cc(C)ccc2n1 ZINC000677813538 1021883043 /nfs/dbraw/zinc/88/30/43/1021883043.db2.gz DYTOEGLZDCWBAD-UHFFFAOYSA-N 1 0 396.564 3.741 20 30 GHEDRO CN(c1cc(C#N)cc(C2CN(C(=O)OC(C)(C)C)C2)c1)c1cc(N)cc[nH+]1 ZINC001204660041 1033019421 /nfs/dbraw/zinc/01/94/21/1033019421.db2.gz ZJTYZTPMEXQJGL-UHFFFAOYSA-N 1 0 379.464 3.638 20 30 GHEDRO N#Cc1c(F)cc(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc1F ZINC001140757943 1022449001 /nfs/dbraw/zinc/44/90/01/1022449001.db2.gz VPCGNPVPBSDOGS-UHFFFAOYSA-N 1 0 397.469 3.703 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3cc(Br)ccc3C#N)cc2)CC1 ZINC001204747365 1033063710 /nfs/dbraw/zinc/06/37/10/1033063710.db2.gz SPVNAYQAXZUJFI-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO CC(C)[N@H+]1CC(N=Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)[C@H](C)C1 ZINC000754257762 1022564995 /nfs/dbraw/zinc/56/49/95/1022564995.db2.gz FBHOFRKALWDWNL-GFCCVEGCSA-N 1 0 378.402 3.685 20 30 GHEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754314676 1022610778 /nfs/dbraw/zinc/61/07/78/1022610778.db2.gz NEDGEKLQXIWTPL-IEBWSBKVSA-N 1 0 387.524 3.952 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)NCc1ccc(C#N)cn1)C1CCCCC1 ZINC000780327256 1022733918 /nfs/dbraw/zinc/73/39/18/1022733918.db2.gz ZGOLUQKFJMOXCT-UHFFFAOYSA-N 1 0 391.519 3.717 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000754695322 1022837204 /nfs/dbraw/zinc/83/72/04/1022837204.db2.gz XOJJJXQRIYFTSM-OYNPSCLESA-N 1 0 381.520 3.568 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)c1O ZINC000754723929 1022858482 /nfs/dbraw/zinc/85/84/82/1022858482.db2.gz YAYCKQHIRHYTAT-UHFFFAOYSA-N 1 0 383.488 3.747 20 30 GHEDRO Cc1nn(-c2ccccc2)c(COC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1C#N ZINC000754872260 1022943616 /nfs/dbraw/zinc/94/36/16/1022943616.db2.gz JXGKVFJFHKBBHH-UHFFFAOYSA-N 1 0 380.492 3.749 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cccc(OC(F)F)c4)C3)CC2=O)c1 ZINC001204829494 1033111703 /nfs/dbraw/zinc/11/17/03/1033111703.db2.gz QZNHRDXHNLCVJN-QFIPXVFZSA-N 1 0 397.425 3.789 20 30 GHEDRO Cc1nsc(NC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)c1C#N ZINC001204864828 1033129210 /nfs/dbraw/zinc/12/92/10/1033129210.db2.gz PPANPVVXMATUFW-UHFFFAOYSA-N 1 0 391.500 3.824 20 30 GHEDRO Cc1nsc(NC(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c1C#N ZINC001204863825 1033129479 /nfs/dbraw/zinc/12/94/79/1033129479.db2.gz AOCPQWIVTKHXNF-UHFFFAOYSA-N 1 0 375.542 3.688 20 30 GHEDRO N#Cc1c(N)sc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c1Cl ZINC001141111311 1023525963 /nfs/dbraw/zinc/52/59/63/1023525963.db2.gz NDWMJRSNHQBNEU-AUUYWEPGSA-N 1 0 395.956 3.511 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000756709231 1023784129 /nfs/dbraw/zinc/78/41/29/1023784129.db2.gz IPQXHJWIFBPTDU-HKUYNNGSSA-N 1 0 386.517 3.628 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3ccc(Cl)cc32)C1 ZINC001228913797 1033174523 /nfs/dbraw/zinc/17/45/23/1033174523.db2.gz USBFKTVANQLABW-INIZCTEOSA-N 1 0 380.835 3.514 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(-c3ncccn3)cc1)CCO2 ZINC001141187016 1024049314 /nfs/dbraw/zinc/04/93/14/1024049314.db2.gz QIXZXXRJWFBPLV-FYYLOGMGSA-N 1 0 379.504 3.717 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c1C ZINC001138140016 1024213531 /nfs/dbraw/zinc/21/35/31/1024213531.db2.gz WQVZZUPSFIKPHO-GOSISDBHSA-N 1 0 381.476 3.723 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1C ZINC001138140506 1024215450 /nfs/dbraw/zinc/21/54/50/1024215450.db2.gz OHEFPQPRBFRAOY-IBGZPJMESA-N 1 0 381.476 3.723 20 30 GHEDRO C=C[C@H](CC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC001141260457 1024323559 /nfs/dbraw/zinc/32/35/59/1024323559.db2.gz QZXURROAIQOEPW-JOCHJYFZSA-N 1 0 391.559 3.983 20 30 GHEDRO O=C(NC1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1)N1CCCC1 ZINC001138336000 1024697941 /nfs/dbraw/zinc/69/79/41/1024697941.db2.gz GWQLXGWNQPRPDW-UHFFFAOYSA-N 1 0 387.527 3.856 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)cc1OC ZINC001138348655 1024711966 /nfs/dbraw/zinc/71/19/66/1024711966.db2.gz XREZEVRBHXYXRE-FQEVSTJZSA-N 1 0 379.456 3.831 20 30 GHEDRO CN(C)c1ncc(C[N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)cn1 ZINC001138352835 1024715659 /nfs/dbraw/zinc/71/56/59/1024715659.db2.gz NURBEPANYFVIOY-HSZRJFAPSA-N 1 0 397.526 3.874 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000831691897 1024746522 /nfs/dbraw/zinc/74/65/22/1024746522.db2.gz YJLIWYPEVMORFV-UHFFFAOYSA-N 1 0 384.398 3.643 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)cc1 ZINC001138558407 1025019863 /nfs/dbraw/zinc/01/98/63/1025019863.db2.gz UDYUIEVBFUJPLB-QFIPXVFZSA-N 1 0 380.513 3.698 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)cc1 ZINC001138558218 1025019897 /nfs/dbraw/zinc/01/98/97/1025019897.db2.gz NAGJWIKLENTVRJ-NOZRDPDXSA-N 1 0 388.511 3.537 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OC(C)C)c(OC)c1)CC2 ZINC001138571024 1025042409 /nfs/dbraw/zinc/04/24/09/1025042409.db2.gz BCTUKYPHPGFERV-UHFFFAOYSA-N 1 0 388.508 3.703 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](CCCSCC#N)CC1 ZINC000831987537 1025091026 /nfs/dbraw/zinc/09/10/26/1025091026.db2.gz XKOKLQWLQDYXHP-KRWDZBQOSA-N 1 0 381.586 3.991 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCc3nc(C(=O)NCC(C)C)sc3CC2)c1O ZINC001138627430 1025127292 /nfs/dbraw/zinc/12/72/92/1025127292.db2.gz HDAJQHIZENEACK-UHFFFAOYSA-N 1 0 399.560 3.564 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832040602 1025169389 /nfs/dbraw/zinc/16/93/89/1025169389.db2.gz FESQFHBKZUFVDG-QAPCUYQASA-N 1 0 376.884 3.750 20 30 GHEDRO C=C(C)COc1ccccc1CN1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001138660807 1025178800 /nfs/dbraw/zinc/17/88/00/1025178800.db2.gz DIBKTQTUWUTKMG-XZOQPEGZSA-N 1 0 393.531 3.512 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CCN(c3ccc(C)nn3)C[C@H]2C1 ZINC001138661705 1025180583 /nfs/dbraw/zinc/18/05/83/1025180583.db2.gz FJOUOBBRAKYWEN-TZIWHRDSSA-N 1 0 378.520 3.698 20 30 GHEDRO C=C(C)COc1ccccc1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001138662034 1025182228 /nfs/dbraw/zinc/18/22/28/1025182228.db2.gz NHJDBIKJNBXKBM-XKCSPQBFSA-N 1 0 380.488 3.847 20 30 GHEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138681002 1025205840 /nfs/dbraw/zinc/20/58/40/1025205840.db2.gz RRPRVRCDVSSCQQ-OSYLJGHBSA-N 1 0 390.325 3.552 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC)c4cccc(OC)c34)C2)C1=O ZINC001138748012 1025290135 /nfs/dbraw/zinc/29/01/35/1025290135.db2.gz GLYZSGCMMPKXNT-DEOSSOPVSA-N 1 0 394.515 3.858 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)c3cccc(OC)c23)C1 ZINC001138755740 1025306303 /nfs/dbraw/zinc/30/63/03/1025306303.db2.gz ZHCOUJZDYFVUSW-KRWDZBQOSA-N 1 0 384.476 3.734 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3N3CCC(O)CC3)C2)cc1 ZINC001138763616 1025325302 /nfs/dbraw/zinc/32/53/02/1025325302.db2.gz AXFKNCQLFRLPSV-QHCPKHFHSA-N 1 0 391.515 3.563 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000838982152 1025499655 /nfs/dbraw/zinc/49/96/55/1025499655.db2.gz LEOFEYAPUSPACL-KRWDZBQOSA-N 1 0 388.468 3.592 20 30 GHEDRO N#CC1(CCC[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)CCOCC1 ZINC000839152388 1025652525 /nfs/dbraw/zinc/65/25/25/1025652525.db2.gz MPWNQLUWKWFRAS-FQEVSTJZSA-N 1 0 378.463 3.811 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162195346 1025661713 /nfs/dbraw/zinc/66/17/13/1025661713.db2.gz WWKHSOXFZFLVIQ-SHTZXODSSA-N 1 0 391.853 3.823 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001139028007 1025793707 /nfs/dbraw/zinc/79/37/07/1025793707.db2.gz IOVDBRPWLQCUDC-WMTXJRDZSA-N 1 0 394.515 3.985 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC[C@@H](C(=O)N3CCCC3)OC2)CC1 ZINC001139032582 1025805054 /nfs/dbraw/zinc/80/50/54/1025805054.db2.gz PSDCSEZSRYLSNU-QFIPXVFZSA-N 1 0 398.547 3.635 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC001139061281 1025851737 /nfs/dbraw/zinc/85/17/37/1025851737.db2.gz YHLAOYKWBUESRD-UHFFFAOYSA-N 1 0 375.516 3.770 20 30 GHEDRO N#Cc1cccc(C2CC[NH+](Cc3cccc(CN4CCOCC4)c3)CC2)c1 ZINC001139061901 1025854836 /nfs/dbraw/zinc/85/48/36/1025854836.db2.gz LAUPIZWUAKBBBP-UHFFFAOYSA-N 1 0 375.516 3.770 20 30 GHEDRO Cc1cc(C2([NH2+]CC(=O)NCCC#N)CCCCC2)ccc1Br ZINC000832723278 1025900903 /nfs/dbraw/zinc/90/09/03/1025900903.db2.gz VINZMXMSYMEDHE-UHFFFAOYSA-N 1 0 378.314 3.536 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc4cccnc4cc3F)C2)C1 ZINC001141620585 1025924834 /nfs/dbraw/zinc/92/48/34/1025924834.db2.gz BQIHHPRMOIOTPX-JOCHJYFZSA-N 1 0 383.467 3.984 20 30 GHEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1(C)C ZINC001162903809 1025960620 /nfs/dbraw/zinc/96/06/20/1025960620.db2.gz FQTWXTNISUZSPD-SFTDATJTSA-N 1 0 377.488 3.596 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cn(C)c3ccc(OC)cc13)CCO2 ZINC001139148741 1025963118 /nfs/dbraw/zinc/96/31/18/1025963118.db2.gz XKPCSHKRUQBQRE-WMZHIEFXSA-N 1 0 384.520 3.761 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)c2cc(C(F)(F)F)cc(C#N)n2)c1 ZINC001163048169 1026025033 /nfs/dbraw/zinc/02/50/33/1026025033.db2.gz STIRMOIPMWSWGH-UHFFFAOYSA-N 1 0 378.398 3.549 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(Nc2ccc([C@@H](C[NH3+])CO)cc2)cc1F ZINC001163053924 1026026942 /nfs/dbraw/zinc/02/69/42/1026026942.db2.gz VNCGIDBEMSALJJ-AWEZNQCLSA-N 1 0 397.841 3.586 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2Nc2ccc([C@H](C[NH3+])CO)cc2)c1 ZINC001163058166 1026029823 /nfs/dbraw/zinc/02/98/23/1026029823.db2.gz FKFSPEAIFNIRAI-OAHLLOKOSA-N 1 0 395.850 3.572 20 30 GHEDRO c1ccc(C(=Nc2ccc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)cn2)c2ccccc2)cc1 ZINC001163147334 1026065233 /nfs/dbraw/zinc/06/52/33/1026065233.db2.gz OWQJOYKTVUGWDC-YPAWHYETSA-N 1 0 384.483 3.649 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](O)c1ccccc1 ZINC000839601672 1026101047 /nfs/dbraw/zinc/10/10/47/1026101047.db2.gz LZRHRKZVWGHATN-SFTDATJTSA-N 1 0 397.544 3.785 20 30 GHEDRO COc1cccc([C@H](C[NH3+])Nc2cnc(Cl)nc2Oc2ccc(C#N)cc2)c1 ZINC001163313507 1026137571 /nfs/dbraw/zinc/13/75/71/1026137571.db2.gz PKWQDUDCJDVSGG-KRWDZBQOSA-N 1 0 395.850 3.914 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000839645310 1026156451 /nfs/dbraw/zinc/15/64/51/1026156451.db2.gz TXNQEVRFKOKBDX-SFTDATJTSA-N 1 0 399.535 3.843 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000839646183 1026159835 /nfs/dbraw/zinc/15/98/35/1026159835.db2.gz YKKNTAXUHQUWMR-NHCUHLMSSA-N 1 0 399.535 3.843 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001139341844 1026205606 /nfs/dbraw/zinc/20/56/06/1026205606.db2.gz GHCHWSSBUXAEGJ-QHCPKHFHSA-N 1 0 398.551 3.682 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001163472064 1026206918 /nfs/dbraw/zinc/20/69/18/1026206918.db2.gz RRKONFGZAPFERJ-IBGZPJMESA-N 1 0 388.450 3.760 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cc(Cl)cnc3Cl)C2)C1 ZINC001139354349 1026226185 /nfs/dbraw/zinc/22/61/85/1026226185.db2.gz QCWMPVVRMVPRPB-GOSISDBHSA-N 1 0 384.307 3.999 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@H](F)[C@](O)(C(F)(F)F)CC3)cc2)c1 ZINC001139401677 1026272774 /nfs/dbraw/zinc/27/27/74/1026272774.db2.gz FLEALTCWFAURIO-OALUTQOASA-N 1 0 393.384 3.848 20 30 GHEDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC[C@H]21 ZINC001139403465 1026276447 /nfs/dbraw/zinc/27/64/47/1026276447.db2.gz UNMGBOZZJDIBKD-FYYLOGMGSA-N 1 0 388.515 3.699 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@]4(C3)C(=O)Nc3ccccc34)cn2)cc1 ZINC001139426415 1026297545 /nfs/dbraw/zinc/29/75/45/1026297545.db2.gz UBIOMOGWVHZVBR-XMMPIXPASA-N 1 0 396.450 3.841 20 30 GHEDRO N#Cc1cc(-n2c3ccccc3nc2C2CC[NH2+]CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001163763526 1026307011 /nfs/dbraw/zinc/30/70/11/1026307011.db2.gz IVZKVLWTUIFGGC-UHFFFAOYSA-N 1 0 398.426 3.821 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(c3ccc([C@@H]4CCCC[N@H+]4CC)cn3)C2)CC1 ZINC001163870128 1026346781 /nfs/dbraw/zinc/34/67/81/1026346781.db2.gz SFXDNGFKBVZDRM-FQEVSTJZSA-N 1 0 398.551 3.853 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)cc1F ZINC001139528441 1026385951 /nfs/dbraw/zinc/38/59/51/1026385951.db2.gz SJTOIVKVYMIHNM-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)cc1F ZINC001139528490 1026386096 /nfs/dbraw/zinc/38/60/96/1026386096.db2.gz PGWBPVWZKQIAIG-IRLDBZIGSA-N 1 0 399.441 3.682 20 30 GHEDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528323 1026386293 /nfs/dbraw/zinc/38/62/93/1026386293.db2.gz NLXSRSISIYKGKW-FQEVSTJZSA-N 1 0 377.463 3.678 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1N(C)C ZINC001139672453 1026527475 /nfs/dbraw/zinc/52/74/75/1026527475.db2.gz XMIVLWRSMRBVHQ-DEOSSOPVSA-N 1 0 388.515 3.562 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CCN(Cc3cccc(Cl)c3C#N)C[C@H]2C1 ZINC001139687413 1026538999 /nfs/dbraw/zinc/53/89/99/1026538999.db2.gz QFVIEFJVUZHTOE-ZBFHGGJFSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001139689450 1026541153 /nfs/dbraw/zinc/54/11/53/1026541153.db2.gz ZWCYTOFQGXLTMW-MRXNPFEDSA-N 1 0 393.878 3.514 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1C#N ZINC001139723727 1026565970 /nfs/dbraw/zinc/56/59/70/1026565970.db2.gz FGJCZUSWXGRYDN-JTHBVZDNSA-N 1 0 377.488 3.712 20 30 GHEDRO Cc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)cc1C#N ZINC001139725508 1026568910 /nfs/dbraw/zinc/56/89/10/1026568910.db2.gz RSHAZHPIRMEPIU-PMOQBDJRSA-N 1 0 379.504 3.571 20 30 GHEDRO C=CCn1cc(C[N@@H+](C)C[C@@H](c2ccc(OC)cc2)C2(O)CCCCC2)cn1 ZINC001139770996 1026605811 /nfs/dbraw/zinc/60/58/11/1026605811.db2.gz KDJOFNNVBBZWCX-QFIPXVFZSA-N 1 0 383.536 3.989 20 30 GHEDRO N#Cc1cc(C(F)(F)N2Cc3ccccc3C3(CC[NH2+]CC3)C2)cnc1Cl ZINC001165161508 1026640951 /nfs/dbraw/zinc/64/09/51/1026640951.db2.gz RFTFTXNMQAKVOJ-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(COC)s3)CC2)C1 ZINC001139824152 1026643888 /nfs/dbraw/zinc/64/38/88/1026643888.db2.gz PZNHOYVJDKHYPL-UHFFFAOYSA-N 1 0 378.538 3.895 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(C2(C#N)CCOCC2)cn1 ZINC001165200981 1026661975 /nfs/dbraw/zinc/66/19/75/1026661975.db2.gz FCHIXFUZLIPSMT-VQTJNVASSA-N 1 0 390.531 3.753 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNc2ccc(C(=O)N(CCC#N)c3ccccc3)cn2)C1 ZINC001165273776 1026688503 /nfs/dbraw/zinc/68/85/03/1026688503.db2.gz VXCUYBFRGZZPOY-IBGZPJMESA-N 1 0 391.519 3.786 20 30 GHEDRO N#Cc1c[nH]c2nc(N(c3cccc(F)c3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc12 ZINC001165479374 1026742027 /nfs/dbraw/zinc/74/20/27/1026742027.db2.gz WWHGZEIROQRWGF-AVRDEDQJSA-N 1 0 391.450 3.623 20 30 GHEDRO Cc1cccc(N(c2nc(Cl)cc(C)c2C#N)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165771479 1026829878 /nfs/dbraw/zinc/82/98/78/1026829878.db2.gz LPEWLAGESHFZQG-UTKZUKDTSA-N 1 0 382.895 3.883 20 30 GHEDRO N#Cc1c2c(cnc1-n1nc(-c3ccc(F)cc3)c3c1CC[NH2+]CC3)CCCC2 ZINC001165822430 1026846221 /nfs/dbraw/zinc/84/62/21/1026846221.db2.gz CVIXSEHNNCQPMB-UHFFFAOYSA-N 1 0 387.462 3.512 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)c(F)c1 ZINC001140136799 1026910433 /nfs/dbraw/zinc/91/04/33/1026910433.db2.gz NTJOJNKQZNXBIV-UHFFFAOYSA-N 1 0 385.508 3.626 20 30 GHEDRO CC(C)NC(=O)c1ccccc1OC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC001140140400 1026914116 /nfs/dbraw/zinc/91/41/16/1026914116.db2.gz VYVDOARYKIXMLT-UHFFFAOYSA-N 1 0 395.478 3.879 20 30 GHEDRO Cc1ccc(N(c2ncnc3c2CC[NH2+]CC3)c2nc(C)ccc2CC#N)cc1 ZINC001166311850 1026971383 /nfs/dbraw/zinc/97/13/83/1026971383.db2.gz AQAYGVXXGNEUOB-UHFFFAOYSA-N 1 0 384.487 3.713 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)c(F)c3)C2)C1=O ZINC001140210409 1026983956 /nfs/dbraw/zinc/98/39/56/1026983956.db2.gz BRUCNTQNHVIAMN-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(c1nccc3cc(OC)c(F)cc31)CCO2 ZINC001166370525 1026987299 /nfs/dbraw/zinc/98/72/99/1026987299.db2.gz QVPOIIOFCZIADA-VGOFRKELSA-N 1 0 386.467 3.961 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cn3cccc(C)c3n1)CC2 ZINC001209733613 1027126541 /nfs/dbraw/zinc/12/65/41/1027126541.db2.gz OQTVBPGRPUWXNT-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1[nH]nc3ccc(Cl)cc31)C2 ZINC001209753146 1027145077 /nfs/dbraw/zinc/14/50/77/1027145077.db2.gz LSFSAQMRTOFLFB-WOJBJXKFSA-N 1 0 375.900 3.790 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cccc(C(=O)C(F)(F)F)c3)cc2C#N)CC1 ZINC001203345322 1027283499 /nfs/dbraw/zinc/28/34/99/1027283499.db2.gz XUPUFVPGEOSCBQ-UHFFFAOYSA-N 1 0 388.393 3.799 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(F)c4occc43)CC2)c1 ZINC001461243289 1069458816 /nfs/dbraw/zinc/45/88/16/1069458816.db2.gz HKQIXYDWZBBRKS-UHFFFAOYSA-N 1 0 377.419 3.838 20 30 GHEDRO COc1ccc(Nc2ccc(C#N)cc2C)cc1OCCCN1CC[NH+](C)CC1 ZINC001210376788 1027477817 /nfs/dbraw/zinc/47/78/17/1027477817.db2.gz JJVPBSRHLHKFFF-UHFFFAOYSA-N 1 0 394.519 3.635 20 30 GHEDRO COc1ccc(CN2CC[C@@]3(CCC[N@H+](Cc4cccc(C#N)c4)C3)C2=O)cc1 ZINC001203756575 1027579656 /nfs/dbraw/zinc/57/96/56/1027579656.db2.gz AISWIVVTWWMPFE-XMMPIXPASA-N 1 0 389.499 3.582 20 30 GHEDRO COc1cc(CN(C)Cc2cc(Br)ccc2C#N)cc(OC)c1 ZINC001141900793 1027621606 /nfs/dbraw/zinc/62/16/06/1027621606.db2.gz GMAIRASVABOZBG-UHFFFAOYSA-N 1 0 375.266 3.970 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)c(OC)c1)CC2 ZINC001203836775 1027646421 /nfs/dbraw/zinc/64/64/21/1027646421.db2.gz HVDPRSYWQZCWCJ-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO Cc1cc(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)ccc1C#N ZINC001210808677 1027659007 /nfs/dbraw/zinc/65/90/07/1027659007.db2.gz GABDZOYDXIOZBI-UHFFFAOYSA-N 1 0 389.547 3.827 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)Oc2ccccc21 ZINC001203904105 1027695962 /nfs/dbraw/zinc/69/59/62/1027695962.db2.gz VUKPKURLGAJNST-HXUWFJFHSA-N 1 0 389.499 3.595 20 30 GHEDRO CSc1nc(C[NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)ccc1C#N ZINC001141937097 1027706437 /nfs/dbraw/zinc/70/64/37/1027706437.db2.gz NFDINTKOVPYNKQ-KRWDZBQOSA-N 1 0 398.576 3.584 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#Cc2ccccc2)s1)C1CCN(C(C)=O)CC1 ZINC001141975964 1027789685 /nfs/dbraw/zinc/78/96/85/1027789685.db2.gz PRNGCDQCDHUWKD-UHFFFAOYSA-N 1 0 396.556 3.607 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cccc(C(F)(F)F)n1)C(C)C ZINC001211223532 1027843716 /nfs/dbraw/zinc/84/37/16/1027843716.db2.gz WNPFQKUVMLLLKN-INIZCTEOSA-N 1 0 384.446 3.598 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(Nc4ccc(C#N)c(F)c4)cc3)CC2)CC1 ZINC001204060849 1027844077 /nfs/dbraw/zinc/84/40/77/1027844077.db2.gz IKHDTKUEVSAWKN-UHFFFAOYSA-N 1 0 393.510 3.657 20 30 GHEDRO CC[C@H](C)Sc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C(F)(F)F)c1 ZINC000841093433 1028122140 /nfs/dbraw/zinc/12/21/40/1028122140.db2.gz SRMMMJYPXHRMJI-ZIBATOQPSA-N 1 0 386.443 3.829 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001142217347 1028390602 /nfs/dbraw/zinc/39/06/02/1028390602.db2.gz DCGUUSVIVFWBFL-DVECYGJZSA-N 1 0 392.547 3.711 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000841389411 1028555071 /nfs/dbraw/zinc/55/50/71/1028555071.db2.gz ALTTXYWAXLIEAH-MRXNPFEDSA-N 1 0 387.524 3.653 20 30 GHEDRO COc1ccc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2OC)cc1C#N ZINC001215006505 1028992375 /nfs/dbraw/zinc/99/23/75/1028992375.db2.gz LWLQUXSFXLGWOC-UHFFFAOYSA-N 1 0 380.492 3.849 20 30 GHEDRO C#CCN(C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C(C)C ZINC001215100693 1029039777 /nfs/dbraw/zinc/03/97/77/1029039777.db2.gz CBROTVFBKUPLTK-UHFFFAOYSA-N 1 0 384.524 3.767 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)no2)cc1 ZINC001215291541 1029134947 /nfs/dbraw/zinc/13/49/47/1029134947.db2.gz ZGFODDWZXQJMEH-UHFFFAOYSA-N 1 0 376.460 3.720 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001215438464 1029208819 /nfs/dbraw/zinc/20/88/19/1029208819.db2.gz MSUQOUFUTPBQCV-LJQANCHMSA-N 1 0 393.491 3.987 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C[C@H]2C1 ZINC000842676730 1029482912 /nfs/dbraw/zinc/48/29/12/1029482912.db2.gz JOWRQNGNPOWTPW-GBESFXJTSA-N 1 0 385.508 3.714 20 30 GHEDRO C[NH+](C)Cc1cccc(Nc2ncc(C#N)cc2I)c1F ZINC001216227841 1029575116 /nfs/dbraw/zinc/57/51/16/1029575116.db2.gz RVLYINXOJJNYIA-UHFFFAOYSA-N 1 0 396.207 3.502 20 30 GHEDRO N#Cc1ccc(-c2noc(-c3ccc(OCC[NH+]4CCCCC4)cc3)n2)nc1 ZINC001216512688 1029666162 /nfs/dbraw/zinc/66/61/62/1029666162.db2.gz FRSFXPMAPACWRW-UHFFFAOYSA-N 1 0 375.432 3.535 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CNc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001461563912 1069611253 /nfs/dbraw/zinc/61/12/53/1069611253.db2.gz GMGQXHTWPBLJCU-UHFFFAOYSA-N 1 0 376.504 3.613 20 30 GHEDRO COC(=O)c1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)c2c1 ZINC001143238970 1029936711 /nfs/dbraw/zinc/93/67/11/1029936711.db2.gz JJYDLKVCIMKYQF-LJQANCHMSA-N 1 0 389.455 3.870 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3cc(C#N)ccc3Cl)n2)CC1 ZINC001216975816 1030045087 /nfs/dbraw/zinc/04/50/87/1030045087.db2.gz YEKPNTFKXFUJJB-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602380 1030227827 /nfs/dbraw/zinc/22/78/27/1030227827.db2.gz OYHIZXQHXLFJMO-LJQANCHMSA-N 1 0 382.305 3.510 20 30 GHEDRO C=CCC1([NH2+]Cc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001461643838 1069655676 /nfs/dbraw/zinc/65/56/76/1069655676.db2.gz GZMYYXPVGQFTBR-QGZVFWFLSA-N 1 0 389.544 3.829 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2ccc3c(c2)C[NH2+]CC3)n1 ZINC001217382596 1030353407 /nfs/dbraw/zinc/35/34/07/1030353407.db2.gz PPLPVNDMESIAFT-UHFFFAOYSA-N 1 0 381.233 3.683 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(CCC)C2)cc1OC ZINC001461653351 1069660517 /nfs/dbraw/zinc/66/05/17/1069660517.db2.gz PIXVAFUYUFPARX-OAHLLOKOSA-N 1 0 383.330 3.596 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276860016 1030389370 /nfs/dbraw/zinc/38/93/70/1030389370.db2.gz CRGQETVOCFPKKF-HXUWFJFHSA-N 1 0 378.900 3.500 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(-c3nc4c(s3)C[NH2+]CC4)n2)cc1Cl ZINC001217542488 1030480094 /nfs/dbraw/zinc/48/00/94/1030480094.db2.gz SRANYYHFLSOLRL-UHFFFAOYSA-N 1 0 378.244 3.684 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC001223538047 1030627031 /nfs/dbraw/zinc/62/70/31/1030627031.db2.gz NNTSWQBIZBADBP-FGZHOGPDSA-N 1 0 377.488 3.506 20 30 GHEDRO C#CCN1CCC[C@H](NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001223623734 1030666999 /nfs/dbraw/zinc/66/69/99/1030666999.db2.gz LYKRDKMVFLPDQD-SFTDATJTSA-N 1 0 381.907 3.826 20 30 GHEDRO C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](OC[C@@H]3CC[C@]4(C[NH2+]CCOC4)O3)[C@@H]12 ZINC001217883918 1030669409 /nfs/dbraw/zinc/66/94/09/1030669409.db2.gz KOENPRQDGOBWBV-GKLJESKSSA-N 1 0 399.531 3.568 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2CCC[NH2+]C[C@@H]2F)c(Br)c1 ZINC001217944624 1030679213 /nfs/dbraw/zinc/67/92/13/1030679213.db2.gz IZFQPHNLTOTBBC-NWDGAFQWSA-N 1 0 392.066 3.552 20 30 GHEDRO COc1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001217951827 1030683872 /nfs/dbraw/zinc/68/38/72/1030683872.db2.gz UYKGYXDDQNMJMX-RZPVRENCSA-N 1 0 385.435 3.766 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217952832 1030685408 /nfs/dbraw/zinc/68/54/08/1030685408.db2.gz WAUYMRHYFAKFJB-WZLNMBEASA-N 1 0 397.494 3.789 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2CCCC[NH2+]C2)c1 ZINC001217970014 1030696035 /nfs/dbraw/zinc/69/60/35/1030696035.db2.gz GWNALNZOXCQMBZ-MZEUMTGBSA-N 1 0 397.471 3.826 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1CCCC[NH2+]C1 ZINC001217971470 1030697541 /nfs/dbraw/zinc/69/75/41/1030697541.db2.gz UVXIIEJDGXCCAF-QJUQNUTOSA-N 1 0 379.504 3.841 20 30 GHEDRO ON=Cc1cc(Br)cc(Br)c1O[C@H]1CCCC[NH2+]C1 ZINC001217973451 1030699289 /nfs/dbraw/zinc/69/92/89/1030699289.db2.gz JUVUYNIMALAFBV-NSHDSACASA-N 1 0 392.091 3.541 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001217985808 1030705979 /nfs/dbraw/zinc/70/59/79/1030705979.db2.gz CQIBVMRFWNIZFR-UYFMEYDNSA-N 1 0 379.504 3.697 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001217988941 1030708275 /nfs/dbraw/zinc/70/82/75/1030708275.db2.gz DRNBGRUZTZYNDK-NYHFZMIOSA-N 1 0 390.462 3.998 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001218052591 1030743916 /nfs/dbraw/zinc/74/39/16/1030743916.db2.gz LGPFPOMLLVQGLW-VQIMIIECSA-N 1 0 379.456 3.918 20 30 GHEDRO C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC001218075365 1030757465 /nfs/dbraw/zinc/75/74/65/1030757465.db2.gz ZKQOTEDJDGJSHC-SFTDATJTSA-N 1 0 390.527 3.941 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001218089225 1030764346 /nfs/dbraw/zinc/76/43/46/1030764346.db2.gz RHMGVQOTWOFIBF-QGZVFWFLSA-N 1 0 384.520 3.941 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(OC3CC4(C3)CC[NH2+]CC4)cccc1C2=O ZINC001218106483 1030776487 /nfs/dbraw/zinc/77/64/87/1030776487.db2.gz LZIUSZWDYALPEY-UHFFFAOYSA-N 1 0 381.472 3.820 20 30 GHEDRO COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001223891382 1030796012 /nfs/dbraw/zinc/79/60/12/1030796012.db2.gz IRTGTTPHHVDGDS-HZSHHLKBSA-N 1 0 390.867 3.784 20 30 GHEDRO COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001223892057 1030796414 /nfs/dbraw/zinc/79/64/14/1030796414.db2.gz ZZCVPEZSFNLEIE-JHGXHUTESA-N 1 0 388.439 3.660 20 30 GHEDRO COc1ccc2c(O[C@H]3C[NH2+]C[C@H]3C#N)cc(-c3ccc(F)cc3)nc2c1OC ZINC001218199557 1030821900 /nfs/dbraw/zinc/82/19/00/1030821900.db2.gz FWPMGMVMMHUISS-VLIAUNLRSA-N 1 0 393.418 3.548 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(Br)cc(C(C)=O)cc1Br ZINC001218209534 1030830920 /nfs/dbraw/zinc/83/09/20/1030830920.db2.gz ZZHLGJLQPGJIIS-ZDUSSCGKSA-N 1 0 389.087 3.711 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)c(OC)c2oc(-c3ccccc3)cc(=O)c12 ZINC001218211374 1030833213 /nfs/dbraw/zinc/83/32/13/1030833213.db2.gz XKTQWCZDIAYOCT-FQEVSTJZSA-N 1 0 393.439 3.774 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc2c3c(c1OC)COc1cc(OC)cc(c1-3)CC2 ZINC001218211070 1030833375 /nfs/dbraw/zinc/83/33/75/1030833375.db2.gz PUZLBAQDBSKMJX-FQEVSTJZSA-N 1 0 379.456 3.659 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)cc2c1C(=O)C[C@@H](c1ccc(OC)cc1)O2 ZINC001218210495 1030833674 /nfs/dbraw/zinc/83/36/74/1030833674.db2.gz DONZQAWVYRXPCN-UGKGYDQZSA-N 1 0 395.455 3.707 20 30 GHEDRO COc1cc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218252831 1030854938 /nfs/dbraw/zinc/85/49/38/1030854938.db2.gz VCYFHPZFXKITJJ-GCHWBRASSA-N 1 0 379.456 3.816 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(O[C@H]3CC[NH2+]C4(CCC4)C3)cccc1C2=O ZINC001218309216 1030883683 /nfs/dbraw/zinc/88/36/83/1030883683.db2.gz MAQBUNGGYMYAAN-AWEZNQCLSA-N 1 0 381.472 3.962 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308240 1030883755 /nfs/dbraw/zinc/88/37/55/1030883755.db2.gz GCHJSOWLGZXXBL-QKUWTVCMSA-N 1 0 391.515 3.984 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218324204 1030892096 /nfs/dbraw/zinc/89/20/96/1030892096.db2.gz BEIWDYJOGBVIPX-DHNJUEJWSA-N 1 0 379.456 3.587 20 30 GHEDRO CCC(=O)[C@H]1C[C@@H](Oc2ccc(O)c3c2C(=O)C(CCC=C(C)C)=CC3=O)C[NH2+]1 ZINC001218328434 1030895047 /nfs/dbraw/zinc/89/50/47/1030895047.db2.gz SHEHKEXGZQMMAY-HZPDHXFCSA-N 1 0 397.471 3.532 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@H]2CC[NH2+]C[C@@H]2C)c(O)c1 ZINC001218419449 1030931879 /nfs/dbraw/zinc/93/18/79/1030931879.db2.gz MZXZKZJRZCNHKK-KXBFYZLASA-N 1 0 379.497 3.992 20 30 GHEDRO C=C[C@@H](Oc1nc2ccc(C(=O)CCN3CC[NH2+]CC3)cc2o1)c1ccccc1 ZINC001218441581 1030937716 /nfs/dbraw/zinc/93/77/16/1030937716.db2.gz XNBDXSTVNWKTOF-OAQYLSRUSA-N 1 0 391.471 3.612 20 30 GHEDRO Cc1cc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218441852 1030937986 /nfs/dbraw/zinc/93/79/86/1030937986.db2.gz IZDNSCINOUUMCW-MDVLRCSESA-N 1 0 379.456 3.740 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc2c1C(=O)C1=C(CCC(C)(C)O1)C2=O ZINC001218457386 1030944698 /nfs/dbraw/zinc/94/46/98/1030944698.db2.gz MFNXXGMKQRKWKN-IAGOWNOFSA-N 1 0 381.472 3.984 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c1C(=O)/C=C/c1ccccc1 ZINC001218459713 1030945429 /nfs/dbraw/zinc/94/54/29/1030945429.db2.gz HRTHUMHOBANNMG-NISPWLKOSA-N 1 0 379.456 3.674 20 30 GHEDRO CC1(C)C[C@@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)CC[NH2+]1 ZINC001218470199 1030951100 /nfs/dbraw/zinc/95/11/00/1030951100.db2.gz ABFQTJIXFZFMGD-ANQVYJHKSA-N 1 0 381.428 3.623 20 30 GHEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC001218513278 1030967947 /nfs/dbraw/zinc/96/79/47/1030967947.db2.gz BWTIPOIHEOULOK-UHFFFAOYSA-N 1 0 392.569 3.928 20 30 GHEDRO N#Cc1c(NC(=O)C[C@H]2COCC[NH2+]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218555381 1030985151 /nfs/dbraw/zinc/98/51/51/1030985151.db2.gz ZSSNVRGPWZDWQR-SFHVURJKSA-N 1 0 387.439 3.802 20 30 GHEDRO COC(=O)c1sc(C(C)(C)C)cc1NC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001218609638 1031003693 /nfs/dbraw/zinc/00/36/93/1031003693.db2.gz PMVDOZFCSDEWPE-CQSZACIVSA-N 1 0 385.489 3.732 20 30 GHEDRO C[C@@H](C[NH3+])C(=O)Nc1c(C#N)c(-c2cccc3ccccc32)nn1C(C)(C)C ZINC001218705860 1031042375 /nfs/dbraw/zinc/04/23/75/1031042375.db2.gz HBUPIQZBDYXGJE-AWEZNQCLSA-N 1 0 375.476 3.863 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(F)c([O-])c(Cl)c3)CC2)C1=O ZINC001276998386 1031128442 /nfs/dbraw/zinc/12/84/42/1031128442.db2.gz HOSSRVHOLMYUHY-FQEVSTJZSA-N 1 0 380.891 3.965 20 30 GHEDRO C#CCN1c2ccccc2[C@@]2(CCN(Cc3cncc(Cl)c3Cl)C2)C1=O ZINC001277005351 1031167923 /nfs/dbraw/zinc/16/79/23/1031167923.db2.gz RRKUWMBAESWGRA-FQEVSTJZSA-N 1 0 386.282 3.512 20 30 GHEDRO N#Cc1cc(NC(=O)C[C@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)ccc1O ZINC001218954101 1031173222 /nfs/dbraw/zinc/17/32/22/1031173222.db2.gz FIFMFHAYXYRUTH-AWEZNQCLSA-N 1 0 379.435 3.540 20 30 GHEDRO N#Cc1ccc(NC(=O)C[C@@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)c(O)c1 ZINC001218987725 1031197302 /nfs/dbraw/zinc/19/73/02/1031197302.db2.gz BEICDKQUQKXIKZ-OAHLLOKOSA-N 1 0 379.435 3.540 20 30 GHEDRO N#Cc1c[nH]c2cc(NC(=O)CC3(c4ccccc4F)CC[NH2+]CC3)ccc12 ZINC001219046832 1031227119 /nfs/dbraw/zinc/22/71/19/1031227119.db2.gz KLWWAGCZAWTQBV-UHFFFAOYSA-N 1 0 376.435 3.829 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)C[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001219109787 1031255982 /nfs/dbraw/zinc/25/59/82/1031255982.db2.gz BUWAGXDKQOOHDU-INIZCTEOSA-N 1 0 399.466 3.782 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c(Cl)c1 ZINC001277030767 1031331034 /nfs/dbraw/zinc/33/10/34/1031331034.db2.gz JFGHHXMUGBGCLO-KRWDZBQOSA-N 1 0 385.817 3.588 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c(Cl)c1 ZINC001277031033 1031332511 /nfs/dbraw/zinc/33/25/11/1031332511.db2.gz RJYLQJXCRAYNKF-HZPDHXFCSA-N 1 0 385.817 3.729 20 30 GHEDRO CCOC(=O)c1oc2ncccc2c1O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001225380848 1031370932 /nfs/dbraw/zinc/37/09/32/1031370932.db2.gz QSLKVMJKVJQHPN-QGZVFWFLSA-N 1 0 391.427 3.529 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC001219367995 1031382321 /nfs/dbraw/zinc/38/23/21/1031382321.db2.gz GCUHEFJPZCHHAR-UHFFFAOYSA-N 1 0 379.464 3.612 20 30 GHEDRO C#Cc1ccc(NC(=O)[C@H](c2cc3ccccc3o2)N2CCC[NH2+]CC2)cc1F ZINC001219383724 1031388002 /nfs/dbraw/zinc/38/80/02/1031388002.db2.gz ARQKIVKYUOGIDB-QFIPXVFZSA-N 1 0 391.446 3.528 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)cc1 ZINC001219540960 1031485559 /nfs/dbraw/zinc/48/55/59/1031485559.db2.gz JVFCWRGAHGZVQX-FXAWDEMLSA-N 1 0 376.532 3.616 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCCc1cccc(Oc2ccccc2)c1 ZINC001219905911 1031684615 /nfs/dbraw/zinc/68/46/15/1031684615.db2.gz DTQKPHKITQELMB-QFIPXVFZSA-N 1 0 399.494 3.969 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001219940516 1031706260 /nfs/dbraw/zinc/70/62/60/1031706260.db2.gz XHLTUOLFWHQNQP-FGTMMUONSA-N 1 0 377.492 3.663 20 30 GHEDRO COc1ncc(NC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc1C#N ZINC001220042098 1031753950 /nfs/dbraw/zinc/75/39/50/1031753950.db2.gz LASWSFOHQDKLOZ-HXUWFJFHSA-N 1 0 395.507 3.585 20 30 GHEDRO C#C[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC001220458524 1031949291 /nfs/dbraw/zinc/94/92/91/1031949291.db2.gz UUVQFCWSEALWGA-DJJJIMSYSA-N 1 0 391.298 3.580 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCC#C[C@@H]2CCCCO2)C1 ZINC001220523418 1031975445 /nfs/dbraw/zinc/97/54/45/1031975445.db2.gz HEQIXGOBNXFWRW-MZKRTTBSSA-N 1 0 397.563 3.536 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2ncc(F)c(Oc3ccccc3C#N)n2)cn1 ZINC001205225730 1033315597 /nfs/dbraw/zinc/31/55/97/1033315597.db2.gz QAGOJASDSVCRIO-UHFFFAOYSA-N 1 0 393.422 3.672 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001205473369 1033428147 /nfs/dbraw/zinc/42/81/47/1033428147.db2.gz WUMQOEPVTDMNRZ-QHCPKHFHSA-N 1 0 377.463 3.844 20 30 GHEDRO C=C[C@@H](CC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001157496936 1033620802 /nfs/dbraw/zinc/62/08/02/1033620802.db2.gz WTSIPEPHEZLROB-QHCPKHFHSA-N 1 0 391.559 3.623 20 30 GHEDRO N#CCc1ccc(OCc2ccc(-c3cccc(N4CC[NH2+]CC4)c3)nc2)cc1 ZINC001205900248 1033626352 /nfs/dbraw/zinc/62/63/52/1033626352.db2.gz NPRBZJOEOMCVKO-UHFFFAOYSA-N 1 0 384.483 3.803 20 30 GHEDRO C[NH+]1CCN(C(=N)Nc2nc(-c3ccccc3)c(-c3ccccc3)cc2C#N)CC1 ZINC001157915577 1033823143 /nfs/dbraw/zinc/82/31/43/1033823143.db2.gz BDZARDFZDXAAQC-UHFFFAOYSA-N 1 0 396.498 3.881 20 30 GHEDRO Cc1cccc(C2(Cc3nc(-c4cc(F)cc(C#N)c4)no3)CC[NH2+]CC2)c1 ZINC001206391645 1033825591 /nfs/dbraw/zinc/82/55/91/1033825591.db2.gz YAWJDOLJVCYVBX-UHFFFAOYSA-N 1 0 376.435 3.920 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)n1 ZINC001158134964 1033928966 /nfs/dbraw/zinc/92/89/66/1033928966.db2.gz MJLCDCOMBDGLCQ-UHFFFAOYSA-N 1 0 393.303 3.607 20 30 GHEDRO N#Cc1ccc(C(F)(F)N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)nc1Cl ZINC001158165744 1033947824 /nfs/dbraw/zinc/94/78/24/1033947824.db2.gz XLWOHLNMCMUXLK-WKILWMFISA-N 1 0 391.853 3.823 20 30 GHEDRO CCN([C@@H]1CCC[NH2+]C1)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001158207677 1033963875 /nfs/dbraw/zinc/96/38/75/1033963875.db2.gz UMJFOXQHHCZZFW-OAHLLOKOSA-N 1 0 391.853 3.792 20 30 GHEDRO Cc1cc(N(c2nc(-c3cccs3)ccc2C#N)C2CC[NH2+]CC2)nc(C)n1 ZINC001158391744 1034059863 /nfs/dbraw/zinc/05/98/63/1034059863.db2.gz ZGFPZQNICXRYFE-UHFFFAOYSA-N 1 0 390.516 3.979 20 30 GHEDRO C=CCN(CC[N@H+]1CCC[C@H](c2nc(CCC)no2)C1)C(=O)OC(C)(C)C ZINC001207203737 1034170025 /nfs/dbraw/zinc/17/00/25/1034170025.db2.gz OWFHHKZAWIQLBN-INIZCTEOSA-N 1 0 378.517 3.625 20 30 GHEDRO C=CCN(CC[NH+]1CCC(C(=O)N2CCCCCC2)CC1)C(=O)OC(C)(C)C ZINC001207204957 1034172577 /nfs/dbraw/zinc/17/25/77/1034172577.db2.gz BXNKFOFVJBFBLE-UHFFFAOYSA-N 1 0 393.572 3.524 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)C1 ZINC001207213982 1034180450 /nfs/dbraw/zinc/18/04/50/1034180450.db2.gz GWYUEGOJGXKEIZ-PKOBYXMFSA-N 1 0 385.508 3.658 20 30 GHEDRO C=CCCSCCNC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001230747548 1034207780 /nfs/dbraw/zinc/20/77/80/1034207780.db2.gz BMFDRJCRMLZZDU-HXUWFJFHSA-N 1 0 375.582 3.992 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(N2CCC[C@H]([NH3+])c3cc(C)ccc32)n1 ZINC001158729729 1034250443 /nfs/dbraw/zinc/25/04/43/1034250443.db2.gz LGDLZZXSWAWWEH-QOJWJBQSSA-N 1 0 377.901 3.900 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)cc1C#N ZINC001207312063 1034258935 /nfs/dbraw/zinc/25/89/35/1034258935.db2.gz DLJAXCZZFUAHIJ-UHFFFAOYSA-N 1 0 375.428 3.542 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001231029474 1034350391 /nfs/dbraw/zinc/35/03/91/1034350391.db2.gz BYPFOLUPMGLVRT-JTSKRJEESA-N 1 0 378.472 3.563 20 30 GHEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC#C[C@H]2CCCCO2)c1 ZINC001158993616 1034374099 /nfs/dbraw/zinc/37/40/99/1034374099.db2.gz RJAIWLFXUKULEH-HSZRJFAPSA-N 1 0 376.500 3.621 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCc1ccc(OC)cc1)CC2 ZINC001207474745 1034386250 /nfs/dbraw/zinc/38/62/50/1034386250.db2.gz WUJKGJXJVCXNIN-UHFFFAOYSA-N 1 0 381.520 3.605 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001277487918 1034406622 /nfs/dbraw/zinc/40/66/22/1034406622.db2.gz SZMATNILCAPBNE-KRWDZBQOSA-N 1 0 385.817 3.588 20 30 GHEDRO N#Cc1cc(Nc2cc(-c3ccsc3)sc2C(N)=O)cc(C2C[NH2+]C2)c1 ZINC001159249165 1034502429 /nfs/dbraw/zinc/50/24/29/1034502429.db2.gz NWZSQHRTRGTSGU-UHFFFAOYSA-N 1 0 380.498 3.878 20 30 GHEDRO C#Cc1ccc(C[N@H+]2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001207669712 1034520287 /nfs/dbraw/zinc/52/02/87/1034520287.db2.gz KLXBHIBUWKYYFS-GOSISDBHSA-N 1 0 384.520 3.658 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C)(C[NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001207815674 1034592838 /nfs/dbraw/zinc/59/28/38/1034592838.db2.gz BEEDRRXWRQWYJG-UHFFFAOYSA-N 1 0 398.551 3.717 20 30 GHEDRO CCOC(=O)C1=C(Nc2ccc(CC#N)c(C)n2)CC[N@H+](Cc2ccccc2)C1 ZINC001159459179 1034604222 /nfs/dbraw/zinc/60/42/22/1034604222.db2.gz CGXWYEKMPGSLSG-UHFFFAOYSA-N 1 0 390.487 3.591 20 30 GHEDRO N#Cc1cc(Nc2c(Cl)cc(CO)cc2Cl)ccc1N1CC[NH2+]CC1 ZINC001159748849 1034732321 /nfs/dbraw/zinc/73/23/21/1034732321.db2.gz LPLAKYNZARNQEY-UHFFFAOYSA-N 1 0 377.275 3.511 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3CN(CC(C)C)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001208171507 1034771750 /nfs/dbraw/zinc/77/17/50/1034771750.db2.gz VPKGYSUMPZOBEB-NJDAHSKKSA-N 1 0 380.598 3.671 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001231618552 1034774996 /nfs/dbraw/zinc/77/49/96/1034774996.db2.gz JAVPXRXSPKWAPY-QFIPXVFZSA-N 1 0 395.528 3.757 20 30 GHEDRO N#Cc1cccc2c1CC[C@H]2Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC001159919114 1034786294 /nfs/dbraw/zinc/78/62/94/1034786294.db2.gz RIFBMJNXSPRHBU-JOCHJYFZSA-N 1 0 396.498 3.774 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3Br)C2)C1=O ZINC001276564256 1034788093 /nfs/dbraw/zinc/78/80/93/1034788093.db2.gz TWXUNSXZCPQVJV-HXUWFJFHSA-N 1 0 389.337 3.630 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC001231657759 1034814962 /nfs/dbraw/zinc/81/49/62/1034814962.db2.gz SRHKAAHLQQIUJB-BJKOFHAPSA-N 1 0 376.500 3.651 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001160012260 1034828501 /nfs/dbraw/zinc/82/85/01/1034828501.db2.gz RBJVVSJGJJTUKU-PKIICXIDSA-N 1 0 389.912 3.802 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001160105123 1034862250 /nfs/dbraw/zinc/86/22/50/1034862250.db2.gz XSECTNUAEBLCJI-UHFFFAOYSA-N 1 0 381.423 3.514 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160107654 1034863570 /nfs/dbraw/zinc/86/35/70/1034863570.db2.gz XYZUIBHCFDEAMW-UHFFFAOYSA-N 1 0 394.482 3.986 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(Cl)c(C)c3F)C2)C1=O ZINC001277561515 1034882410 /nfs/dbraw/zinc/88/24/10/1034882410.db2.gz BHOUXOIJTCIRRU-FQEVSTJZSA-N 1 0 378.875 3.705 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001160205237 1034900750 /nfs/dbraw/zinc/90/07/50/1034900750.db2.gz BIOJOFFXHUNYJZ-CQSZACIVSA-N 1 0 393.834 3.652 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001160207209 1034901483 /nfs/dbraw/zinc/90/14/83/1034901483.db2.gz UEPZQODVUCENKU-SNVBAGLBSA-N 1 0 386.789 3.896 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cnc(-c3ccccc3)nc1C)CC2 ZINC001231794580 1034911716 /nfs/dbraw/zinc/91/17/16/1034911716.db2.gz GCRUITFEHIWGKR-UHFFFAOYSA-N 1 0 392.503 3.672 20 30 GHEDRO N#CCCCn1cc(C(=O)NCCCCc2cc[nH+]c(N)c2)c2ccccc21 ZINC001160244058 1034915257 /nfs/dbraw/zinc/91/52/57/1034915257.db2.gz JBCQQTMEHZTFCU-UHFFFAOYSA-N 1 0 375.476 3.675 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)cc1 ZINC001231817653 1034926209 /nfs/dbraw/zinc/92/62/09/1034926209.db2.gz MILACNJMUUCZMB-JOCHJYFZSA-N 1 0 383.536 3.587 20 30 GHEDRO COC(=O)c1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1C(F)(F)F ZINC001160279924 1034927370 /nfs/dbraw/zinc/92/73/70/1034927370.db2.gz QWAQOCKBPLWHIO-UHFFFAOYSA-N 1 0 375.350 3.794 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](C[C@@H](C)c3cccc4ccccc43)CC2)C1=O ZINC001208712973 1034989547 /nfs/dbraw/zinc/98/95/47/1034989547.db2.gz ZWXKFLGHEHHEPM-HXUWFJFHSA-N 1 0 391.559 3.738 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(C)cc(F)cc3Br)C2)C1=O ZINC001277596752 1035029375 /nfs/dbraw/zinc/02/93/75/1035029375.db2.gz LUODVRGUJQAOBU-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001160742149 1035052255 /nfs/dbraw/zinc/05/22/55/1035052255.db2.gz MGEJDTHLXBFBLR-HXUWFJFHSA-N 1 0 392.890 3.700 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160747941 1035054133 /nfs/dbraw/zinc/05/41/33/1035054133.db2.gz NWATUAWIAMGRNR-SKDRFNHKSA-N 1 0 390.743 3.990 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001208854788 1035060387 /nfs/dbraw/zinc/06/03/87/1035060387.db2.gz UOYDYSFYELULIE-KRWDZBQOSA-N 1 0 390.409 3.843 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cc1 ZINC001208859201 1035062310 /nfs/dbraw/zinc/06/23/10/1035062310.db2.gz NIJBVBJCRLISIN-LADGPHEKSA-N 1 0 391.515 3.836 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cc1 ZINC001208861276 1035064605 /nfs/dbraw/zinc/06/46/05/1035064605.db2.gz GZXZXVDNMPGDTB-LADGPHEKSA-N 1 0 391.515 3.836 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208905644 1035082510 /nfs/dbraw/zinc/08/25/10/1035082510.db2.gz DHBNNJXUCQCYQA-XMMPIXPASA-N 1 0 381.564 3.936 20 30 GHEDRO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](CCc3ccc(C#N)cc3)C[C@H]21 ZINC001208925953 1035091768 /nfs/dbraw/zinc/09/17/68/1035091768.db2.gz ZQTAROAXUUAHLY-CTNGQTDRSA-N 1 0 386.474 3.912 20 30 GHEDRO N#Cc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1Cl ZINC001232114704 1035103454 /nfs/dbraw/zinc/10/34/54/1035103454.db2.gz RWVAMNUIRGPCMY-AZUAARDMSA-N 1 0 385.870 3.688 20 30 GHEDRO CC[N@@H+](Cc1ccc(C#N)c(Cl)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001232119322 1035106786 /nfs/dbraw/zinc/10/67/86/1035106786.db2.gz WBSRXKISRBHUQI-OAQYLSRUSA-N 1 0 383.923 3.935 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2-n2c(C[NH3+])cc3ccncc32)c1 ZINC001160966309 1035107703 /nfs/dbraw/zinc/10/77/03/1035107703.db2.gz AEEYXFBHZDYAFI-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H](CC[N@@H+]2CCc3ccc(C#N)cc3C2)COC1(C)C ZINC001209010346 1035148550 /nfs/dbraw/zinc/14/85/50/1035148550.db2.gz QUBHPRFMENSFQG-IBGZPJMESA-N 1 0 385.508 3.678 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3C)C2)C1 ZINC001232182434 1035150049 /nfs/dbraw/zinc/15/00/49/1035150049.db2.gz VMUVBMRSYGYACB-QFIPXVFZSA-N 1 0 385.508 3.564 20 30 GHEDRO C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)N1C[C@@H](F)C[C@H]1C#N ZINC001161138850 1035155632 /nfs/dbraw/zinc/15/56/32/1035155632.db2.gz FKGMXCCNYFFANN-KPQYALRZSA-N 1 0 379.479 3.712 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)[C@H]2CC ZINC001209136599 1035188618 /nfs/dbraw/zinc/18/86/18/1035188618.db2.gz NMESEOOXBXZXOS-AVRDEDQJSA-N 1 0 393.572 3.665 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161280346 1035200031 /nfs/dbraw/zinc/20/00/31/1035200031.db2.gz NCLIAVMDYVXXFG-HAQNSBGRSA-N 1 0 391.302 3.888 20 30 GHEDRO Cc1cc(F)cc(CN(C(=O)c2cccc3c(C#N)c[nH]c32)C2CC[NH2+]CC2)c1 ZINC001161290046 1035203791 /nfs/dbraw/zinc/20/37/91/1035203791.db2.gz YQFCQNFBGPGUCK-UHFFFAOYSA-N 1 0 390.462 3.882 20 30 GHEDRO Cc1ncc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC001161455631 1035234316 /nfs/dbraw/zinc/23/43/16/1035234316.db2.gz CRRARIPQFYKZHE-XZOQPEGZSA-N 1 0 383.499 3.549 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209371452 1035258023 /nfs/dbraw/zinc/25/80/23/1035258023.db2.gz HHIMLOPKSDZKCT-JOCHJYFZSA-N 1 0 393.572 3.715 20 30 GHEDRO N#Cc1cc(Cl)nnc1NCC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001161577069 1035263031 /nfs/dbraw/zinc/26/30/31/1035263031.db2.gz COZVJCHRJHFRSQ-UHFFFAOYSA-N 1 0 395.816 3.754 20 30 GHEDRO C=CCCCCCC[NH+]1CCC2(CC1)CN(Cc1cccc(C)n1)C(=O)CO2 ZINC001209437570 1035273996 /nfs/dbraw/zinc/27/39/96/1035273996.db2.gz OEYLHRVYUUHZAK-UHFFFAOYSA-N 1 0 385.552 3.720 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001209439419 1035274605 /nfs/dbraw/zinc/27/46/05/1035274605.db2.gz OSJCBYZWARNDQN-FDFHNCONSA-N 1 0 385.552 3.675 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CC[C@H](N2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001209443152 1035274926 /nfs/dbraw/zinc/27/49/26/1035274926.db2.gz NARIVVURODFXJD-UNMCSNQZSA-N 1 0 380.573 3.631 20 30 GHEDRO C=CCCCCCCC[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2cccnc2)C1 ZINC001209441622 1035275104 /nfs/dbraw/zinc/27/51/04/1035275104.db2.gz JVKQDLIPJHQZJJ-FDFHNCONSA-N 1 0 385.552 3.561 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(O)Cc2ccc(F)cc2)C1 ZINC001161849021 1035315145 /nfs/dbraw/zinc/31/51/45/1035315145.db2.gz METXOAJETWZGPD-UHFFFAOYSA-N 1 0 395.478 3.965 20 30 GHEDRO N#Cc1ccc(Nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)cn1 ZINC001209594079 1035322118 /nfs/dbraw/zinc/32/21/18/1035322118.db2.gz QFCNHGFPOSGRQV-UHFFFAOYSA-N 1 0 389.503 3.787 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)cn3ccnc13)C2 ZINC001248439833 1035856592 /nfs/dbraw/zinc/85/65/92/1035856592.db2.gz LSBDZHBJPBERTL-AZUAARDMSA-N 1 0 375.900 3.561 20 30 GHEDRO C=CCCCC[N@@H+](C)Cc1ccc(OC)c(I)c1[O-] ZINC001248498527 1035916129 /nfs/dbraw/zinc/91/61/29/1035916129.db2.gz DFKKWWRLEJVITA-UHFFFAOYSA-N 1 0 375.250 3.794 20 30 GHEDRO N#Cc1cc(-c2cc(O)cc(OC(F)(F)F)c2)ccc1OC1CC[NH2+]CC1 ZINC001242990121 1036006384 /nfs/dbraw/zinc/00/63/84/1036006384.db2.gz SXYMXZJAQMGPBX-UHFFFAOYSA-N 1 0 378.350 3.960 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC001248750450 1036108841 /nfs/dbraw/zinc/10/88/41/1036108841.db2.gz KFDBBTQXKUYRGP-QHCPKHFHSA-N 1 0 387.527 3.959 20 30 GHEDRO COC(=O)c1cccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c1OC ZINC001248912442 1036238632 /nfs/dbraw/zinc/23/86/32/1036238632.db2.gz OVTUCQVPAQFBIV-UHFFFAOYSA-N 1 0 378.472 3.808 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1Oc1ccccc1 ZINC001462092335 1069990411 /nfs/dbraw/zinc/99/04/11/1069990411.db2.gz UNRZDNWTXYSXFF-YPAWHYETSA-N 1 0 389.499 3.889 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC001245422790 1036917659 /nfs/dbraw/zinc/91/76/59/1036917659.db2.gz KWBGSNRSTBBUMF-OFLLSLPXSA-N 1 0 389.565 3.539 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[NH2+]CC12CC2 ZINC001246031214 1037147092 /nfs/dbraw/zinc/14/70/92/1037147092.db2.gz UJDGJMBMETYNHK-JOCHJYFZSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246033902 1037148771 /nfs/dbraw/zinc/14/87/71/1037148771.db2.gz OGEVBCJJLTZPEW-YTFSRNRJSA-N 1 0 398.632 3.595 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCN[C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246468601 1037421140 /nfs/dbraw/zinc/42/11/40/1037421140.db2.gz ZGYQHICHYKSWSG-FPOVZHCZSA-N 1 0 389.515 3.551 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4nccc5ccccc54)C3)CC2=O)c1 ZINC001232255733 1037978426 /nfs/dbraw/zinc/97/84/26/1037978426.db2.gz YMNYGARWZNBDCT-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)nc3C)CC2)C1=O ZINC001277691283 1038412396 /nfs/dbraw/zinc/41/23/96/1038412396.db2.gz YGIBUMGXNXUMLU-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc([C@H]3Oc4ccccc4C34CC[NH2+]CC4)n2)c1 ZINC001247898380 1038471499 /nfs/dbraw/zinc/47/14/99/1038471499.db2.gz PCROGSIXPKOZGL-GOSISDBHSA-N 1 0 376.391 3.502 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc(C[C@]34C[NH2+]C[C@H]3COC4)n2)cc1 ZINC001247900599 1038473224 /nfs/dbraw/zinc/47/32/24/1038473224.db2.gz NWOFXLGPMDEWPB-PGRDOPGGSA-N 1 0 385.508 3.864 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(C#N)ccc1[O-])CC2 ZINC001232677578 1038476445 /nfs/dbraw/zinc/47/64/45/1038476445.db2.gz MRJZLGDGGSNLGG-UHFFFAOYSA-N 1 0 376.504 3.535 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3C[C@]4(CO3)CCC[NH2+]C4)n2)cc1Cl ZINC001247929174 1038504078 /nfs/dbraw/zinc/50/40/78/1038504078.db2.gz IINFDLZBJKVGFJ-RHSMWYFYSA-N 1 0 379.247 3.746 20 30 GHEDRO C=CC[C@H](N)c1nc(-c2ccc(Br)c(OC(F)(F)F)c2)no1 ZINC001247963343 1038517484 /nfs/dbraw/zinc/51/74/84/1038517484.db2.gz NRKKTLFCCBBEPJ-VIFPVBQESA-N 1 0 378.148 3.974 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccc5ncsc5c4)C3)CC2=O)c1 ZINC001232740883 1038529056 /nfs/dbraw/zinc/52/90/56/1038529056.db2.gz KMRUDVMWQFWGFN-JOCHJYFZSA-N 1 0 388.496 3.797 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(F)cc1F ZINC001232782671 1038550843 /nfs/dbraw/zinc/55/08/43/1038550843.db2.gz OUSGUPVOFRMCNP-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cc(Br)co3)C2)C1 ZINC001232849825 1038597238 /nfs/dbraw/zinc/59/72/38/1038597238.db2.gz GYEJBPMAYZEZMB-QGZVFWFLSA-N 1 0 383.286 3.653 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c[nH]c4ccc(O)cc34)CC2)C1 ZINC001232864857 1038624075 /nfs/dbraw/zinc/62/40/75/1038624075.db2.gz NLNBAYVRKXLSNH-UHFFFAOYSA-N 1 0 383.492 3.874 20 30 GHEDRO N#Cc1cc(C[N@H+](Cc2cccnc2)C2CCOCC2)ccc1Br ZINC001232895720 1038686551 /nfs/dbraw/zinc/68/65/51/1038686551.db2.gz RQDGWUIREKRXKL-UHFFFAOYSA-N 1 0 386.293 3.897 20 30 GHEDRO CC(C)N1CCC2(CC[NH+](Cc3ccc(Br)c(C#N)c3)CC2)C1=O ZINC001232896418 1038690030 /nfs/dbraw/zinc/69/00/30/1038690030.db2.gz BIJTUFHUIRVGOM-UHFFFAOYSA-N 1 0 390.325 3.544 20 30 GHEDRO CCC[N@H+](Cc1ccc(Br)c(C#N)c1)C1CCN(C(C)=O)CC1 ZINC001232899020 1038695207 /nfs/dbraw/zinc/69/52/07/1038695207.db2.gz JQBQTJIXWUEFCB-UHFFFAOYSA-N 1 0 378.314 3.544 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232903640 1038701149 /nfs/dbraw/zinc/70/11/49/1038701149.db2.gz PJTJAUVQWJBTGV-UHFFFAOYSA-N 1 0 376.548 3.540 20 30 GHEDRO COCCO[C@H]1CCC2(CC[NH+](Cc3cccc(C#N)n3)CC2)c2ccccc21 ZINC001232923762 1038712850 /nfs/dbraw/zinc/71/28/50/1038712850.db2.gz IDBZTSCTZQHLKK-QHCPKHFHSA-N 1 0 391.515 3.985 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(F)c3Br)C2)C1=O ZINC001277753509 1038800638 /nfs/dbraw/zinc/80/06/38/1038800638.db2.gz QSQCHWIRXNBSKW-GOSISDBHSA-N 1 0 399.279 3.728 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001233081900 1038855017 /nfs/dbraw/zinc/85/50/17/1038855017.db2.gz TZTAVADIAQNFCO-YTFSRNRJSA-N 1 0 377.488 3.600 20 30 GHEDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)C[C@H]2CCCC[C@@H]12 ZINC001233098396 1038875511 /nfs/dbraw/zinc/87/55/11/1038875511.db2.gz KKQGVWBBIIOKCT-SUMDDJOVSA-N 1 0 387.499 3.565 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001252127201 1038877636 /nfs/dbraw/zinc/87/76/36/1038877636.db2.gz YKCBLUAVWCQUNA-PZJWPPBQSA-N 1 0 375.557 3.927 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001252128923 1038880645 /nfs/dbraw/zinc/88/06/45/1038880645.db2.gz SGSJFYZZBBSSFK-JTHBVZDNSA-N 1 0 387.568 3.618 20 30 GHEDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(F)c1C#N ZINC001233101719 1038881140 /nfs/dbraw/zinc/88/11/40/1038881140.db2.gz FONIJCMQBDQOJC-UHFFFAOYSA-N 1 0 379.479 3.827 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC001252129087 1038881616 /nfs/dbraw/zinc/88/16/16/1038881616.db2.gz WKSXBRPSSAULJS-UFYCRDLUSA-N 1 0 378.582 3.863 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(c2ncccc2OC)CCOCC1 ZINC001252138661 1038890236 /nfs/dbraw/zinc/89/02/36/1038890236.db2.gz FLQMLNRKUPMCMJ-LJQANCHMSA-N 1 0 378.557 3.840 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cncc(Br)c3C)CC2)C1=O ZINC001277768803 1038921628 /nfs/dbraw/zinc/92/16/28/1038921628.db2.gz CQDKYBQOYBDTEB-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO C[C@@](O)(C[NH2+]C1CCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252309533 1038938050 /nfs/dbraw/zinc/93/80/50/1038938050.db2.gz FWKFKQNMOHCLOZ-GOSISDBHSA-N 1 0 383.414 3.579 20 30 GHEDRO C[C@H]1CC[C@H]([N@H+](C)C[C@@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001252327429 1038943938 /nfs/dbraw/zinc/94/39/38/1038943938.db2.gz IQDSNCOQROLEQG-VVFCZOMOSA-N 1 0 397.441 3.777 20 30 GHEDRO C[C@@H]([NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC001252333916 1038945553 /nfs/dbraw/zinc/94/55/53/1038945553.db2.gz FMBYLUBXDMQJDL-YJYMSZOUSA-N 1 0 391.393 3.617 20 30 GHEDRO C[C@@](O)(C[NH2+]CC1CCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252337205 1038946232 /nfs/dbraw/zinc/94/62/32/1038946232.db2.gz NVVCUEINLUNVPO-LJQANCHMSA-N 1 0 397.441 3.827 20 30 GHEDRO C[C@](O)(C[NH2+][C@H]1CCCCC1(C)C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252338808 1038946556 /nfs/dbraw/zinc/94/65/56/1038946556.db2.gz PFVJBZXWWGOSSZ-LPHOPBHVSA-N 1 0 397.441 3.825 20 30 GHEDRO C=C[C@](C)(O)C[NH+]1CCC2(C[C@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001252548133 1039028666 /nfs/dbraw/zinc/02/86/66/1039028666.db2.gz AOMRZQVSRLAGEN-MBSDFSHPSA-N 1 0 382.548 3.503 20 30 GHEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001252603616 1039044285 /nfs/dbraw/zinc/04/42/85/1039044285.db2.gz CDOVKQFIALJHOU-WOJBJXKFSA-N 1 0 389.540 3.610 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252937658 1039278885 /nfs/dbraw/zinc/27/88/85/1039278885.db2.gz JNAXWYCEDCSJQN-IBGZPJMESA-N 1 0 375.394 3.626 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H](C(=O)NC(C)C)C[C@H]21 ZINC001252984333 1039313163 /nfs/dbraw/zinc/31/31/63/1039313163.db2.gz GZGCSGRWXDUDFR-FNAHDJPLSA-N 1 0 396.616 3.882 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453079 1039338351 /nfs/dbraw/zinc/33/83/51/1039338351.db2.gz UKYPBLFIOFWGDO-RTBURBONSA-N 1 0 385.426 3.985 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001253236185 1039491932 /nfs/dbraw/zinc/49/19/32/1039491932.db2.gz AQTCDQIFLPYMKW-UPVQGACJSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001253238170 1039495101 /nfs/dbraw/zinc/49/51/01/1039495101.db2.gz AODMDNFAESIJNN-VWNXMTODSA-N 1 0 399.579 3.784 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587641 1039710643 /nfs/dbraw/zinc/71/06/43/1039710643.db2.gz NJCXDQPGQCBDTR-GOSISDBHSA-N 1 0 396.478 3.713 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588490 1039711931 /nfs/dbraw/zinc/71/19/31/1039711931.db2.gz WQICSYPZZLUJDZ-RBUKOAKNSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21 ZINC001253599933 1039717280 /nfs/dbraw/zinc/71/72/80/1039717280.db2.gz UPROCDHWXBKKRT-LPHOPBHVSA-N 1 0 390.499 3.676 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H](C)CCO ZINC001253613896 1039722762 /nfs/dbraw/zinc/72/27/62/1039722762.db2.gz FWJFWQGVHGXUAF-LEWJYISDSA-N 1 0 375.594 3.662 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c(=O)c3ccccc13)[C@H]2CC ZINC001233972585 1039738027 /nfs/dbraw/zinc/73/80/27/1039738027.db2.gz QOIQMVGLVJNCNI-REWPJTCUSA-N 1 0 379.504 3.862 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914544 1039897841 /nfs/dbraw/zinc/89/78/41/1039897841.db2.gz HOOSOXRLBMVTLC-UIAACRFSSA-N 1 0 380.483 3.845 20 30 GHEDRO CC1=CC(=O)C[C@H](c2ccc(O[C@H]3COCC[N@H+](Cc4ccccc4)C3)cc2)O1 ZINC001234166501 1039902699 /nfs/dbraw/zinc/90/26/99/1039902699.db2.gz SKSCYOXIXOAWPZ-DNQXCXABSA-N 1 0 393.483 3.901 20 30 GHEDRO COc1cc(O[C@H]2CCC[N@H+](C)C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001234175528 1039909406 /nfs/dbraw/zinc/90/94/06/1039909406.db2.gz HKWRPWGSTUTJDD-BXBHGGAKSA-N 1 0 395.455 3.533 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)c(Cl)cc3Cl)CC2)C1=O ZINC001277867117 1040147500 /nfs/dbraw/zinc/14/75/00/1040147500.db2.gz RYWHAFZFRPVBOB-LJQANCHMSA-N 1 0 383.294 3.970 20 30 GHEDRO COc1cccc(C[C@@H](CO)[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)c1 ZINC001254348133 1040181554 /nfs/dbraw/zinc/18/15/54/1040181554.db2.gz CBLISSDYUSELHM-QKDPSFTKSA-N 1 0 382.479 3.731 20 30 GHEDRO Cc1cc(N(C2CC[NH2+]CC2)C2CCC(C#N)(c3ccc(F)cc3)CC2)ncn1 ZINC001254358968 1040190943 /nfs/dbraw/zinc/19/09/43/1040190943.db2.gz DFKJTSMTUKQCIL-UHFFFAOYSA-N 1 0 393.510 3.887 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254358546 1040191120 /nfs/dbraw/zinc/19/11/20/1040191120.db2.gz GAIWCEZEOZRQLC-UHFFFAOYSA-N 1 0 383.467 3.699 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254361021 1040192257 /nfs/dbraw/zinc/19/22/57/1040192257.db2.gz NLHGNGREZCIKHQ-VRKFHHGPSA-N 1 0 385.483 3.906 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001254480778 1040267810 /nfs/dbraw/zinc/26/78/10/1040267810.db2.gz GEEDICHUICCOMA-QFIPXVFZSA-N 1 0 382.552 3.569 20 30 GHEDRO COc1ccc(CCCc2ccc(O)cc2)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)c1 ZINC001234766727 1040294176 /nfs/dbraw/zinc/29/41/76/1040294176.db2.gz VMBSNNUHEXGTIP-OXCNMMHESA-N 1 0 395.499 3.567 20 30 GHEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001254546468 1040314519 /nfs/dbraw/zinc/31/45/19/1040314519.db2.gz FYMCXWFDUMBWGD-KRWDZBQOSA-N 1 0 378.476 3.652 20 30 GHEDRO CC(=O)O/N=C(/C)c1ccccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001234846947 1040367075 /nfs/dbraw/zinc/36/70/75/1040367075.db2.gz PYNJUVNWPGTQLT-JHGYQWQCSA-N 1 0 396.487 3.644 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 ZINC001254639644 1040414152 /nfs/dbraw/zinc/41/41/52/1040414152.db2.gz WSSIJZOKKWHNIT-XZOQPEGZSA-N 1 0 375.516 3.740 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CCc2nccn2C1 ZINC001234903058 1040416762 /nfs/dbraw/zinc/41/67/62/1040416762.db2.gz HTNZULNPQULPLF-SFHVURJKSA-N 1 0 398.466 3.705 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC001254652230 1040419990 /nfs/dbraw/zinc/41/99/90/1040419990.db2.gz BGWREPUNEUISIF-ULQDDVLXSA-N 1 0 395.544 3.674 20 30 GHEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)C1 ZINC001462464014 1070272744 /nfs/dbraw/zinc/27/27/44/1070272744.db2.gz XYRDAFOCZNZLOV-QGZVFWFLSA-N 1 0 375.513 3.735 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+]Cc3ncc(C#N)s3)C2)CC1 ZINC001254732544 1040489771 /nfs/dbraw/zinc/48/97/71/1040489771.db2.gz CXGCVLRERDLMCE-AWEZNQCLSA-N 1 0 376.526 3.674 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254732809 1040491576 /nfs/dbraw/zinc/49/15/76/1040491576.db2.gz DZBRUPWRFXAENJ-MOPGFXCFSA-N 1 0 377.573 3.796 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=[NH2+])c3ccc4cc(O)ccc4c3)C[C@@H]2C1 ZINC001254896209 1040651632 /nfs/dbraw/zinc/65/16/32/1040651632.db2.gz QWWNQCITZYCMAA-REPLKXPHSA-N 1 0 395.503 3.896 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235264802 1040743413 /nfs/dbraw/zinc/74/34/13/1040743413.db2.gz YWFDIGUFGQDENY-OXJNMPFZSA-N 1 0 398.304 3.907 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc(C)c1OCCO ZINC001235367073 1040863179 /nfs/dbraw/zinc/86/31/79/1040863179.db2.gz GYOQJPGXPZQGST-QFIPXVFZSA-N 1 0 380.488 3.590 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCOc1ccccc1C#N)C2 ZINC001255227575 1040916678 /nfs/dbraw/zinc/91/66/78/1040916678.db2.gz DSVHCRLAMARNCE-LDLYASANSA-N 1 0 385.508 3.847 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCOc1ccccc1C#N)C2 ZINC001255227576 1040916819 /nfs/dbraw/zinc/91/68/19/1040916819.db2.gz DSVHCRLAMARNCE-REPLKXPHSA-N 1 0 385.508 3.847 20 30 GHEDRO C[C@H](CN1CC[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1=O)CC(F)(F)F ZINC001277943983 1040924045 /nfs/dbraw/zinc/92/40/45/1040924045.db2.gz FPHZPFRHCJWVDY-GUYCJALGSA-N 1 0 385.455 3.633 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCC[C@@H](C(=O)OCC)C3)CC2)C1 ZINC001255358282 1040960368 /nfs/dbraw/zinc/96/03/68/1040960368.db2.gz UGWFUSVPWYPRDQ-RTBURBONSA-N 1 0 392.540 3.609 20 30 GHEDRO C#CC[C@@H](NC(=O)OC(C)(C)C)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255375631 1040968239 /nfs/dbraw/zinc/96/82/39/1040968239.db2.gz LFZDRJNWUUYDOQ-QZTJIDSGSA-N 1 0 396.491 3.648 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cc1F ZINC001462514870 1070318871 /nfs/dbraw/zinc/31/88/71/1070318871.db2.gz HBTPSGSIMSUFQC-INIZCTEOSA-N 1 0 385.458 3.846 20 30 GHEDRO O=C(CC[NH2+]C1CCN(C2CC2)CC1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001256070965 1041506954 /nfs/dbraw/zinc/50/69/54/1041506954.db2.gz JJDVRZHTLLCQJX-UHFFFAOYSA-N 1 0 399.538 3.540 20 30 GHEDRO C[C@@H](CC(=O)N1CCOCC1)[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001256350317 1041708043 /nfs/dbraw/zinc/70/80/43/1041708043.db2.gz UCAVAVUSNXANMW-PMACEKPBSA-N 1 0 391.515 3.759 20 30 GHEDRO C[C@@H](Cc1ccccn1)[NH2+]CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001256406077 1041721204 /nfs/dbraw/zinc/72/12/04/1041721204.db2.gz SEFFYUYMIFZQDW-FQEVSTJZSA-N 1 0 395.506 3.939 20 30 GHEDRO N#Cc1ccc(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)cc1F ZINC001236498308 1041740697 /nfs/dbraw/zinc/74/06/97/1041740697.db2.gz ZRMUGBQCUPSFFN-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236796759 1041900775 /nfs/dbraw/zinc/90/07/75/1041900775.db2.gz YTQNOIQJSIUHPG-UXHICEINSA-N 1 0 381.900 3.628 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)cc1Br ZINC001236859919 1041931694 /nfs/dbraw/zinc/93/16/94/1041931694.db2.gz KKTOENFFMJINON-ZWKOTPCHSA-N 1 0 380.305 3.719 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(-n4cccn4)c(Cl)c3)C2)C1=O ZINC001236896305 1041944143 /nfs/dbraw/zinc/94/41/43/1041944143.db2.gz FFAROUKYAQMIIH-OAQYLSRUSA-N 1 0 384.911 3.526 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3Cl)C2)C1=O ZINC001236916029 1041956443 /nfs/dbraw/zinc/95/64/43/1041956443.db2.gz IGSVVIADSKXCHF-OAQYLSRUSA-N 1 0 384.911 3.526 20 30 GHEDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001237138745 1042060273 /nfs/dbraw/zinc/06/02/73/1042060273.db2.gz YGRPRBOWQHNBPU-QWHCGFSZSA-N 1 0 375.284 3.638 20 30 GHEDRO Cc1c(F)c(F)ccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001237158233 1042069394 /nfs/dbraw/zinc/06/93/94/1042069394.db2.gz KDVNELLMNLBAAS-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237289226 1042126419 /nfs/dbraw/zinc/12/64/19/1042126419.db2.gz NYJDOLDRFOGRQY-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO N#Cc1cc(CN2CCC3(CC2)[NH2+]CCc2ccccc23)ccc1Br ZINC001237290012 1042127432 /nfs/dbraw/zinc/12/74/32/1042127432.db2.gz VCIPQSNHJDQTCR-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC001237355208 1042165652 /nfs/dbraw/zinc/16/56/52/1042165652.db2.gz SSUBKSZQTPRSDR-FQEVSTJZSA-N 1 0 382.426 3.960 20 30 GHEDRO N#Cc1ccc(CN2CCC3(CC2)[NH2+]Cc2ccccc23)cc1Br ZINC001237374114 1042177490 /nfs/dbraw/zinc/17/74/90/1042177490.db2.gz BMMKGOYDSZDVID-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c2cc(C#N)ccc21 ZINC001237464075 1042218482 /nfs/dbraw/zinc/21/84/82/1042218482.db2.gz BATMZYCLOAYLAT-UHFFFAOYSA-N 1 0 394.519 3.883 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237469756 1042222245 /nfs/dbraw/zinc/22/22/45/1042222245.db2.gz YHAVVKDGRVFRMO-JOCHJYFZSA-N 1 0 380.492 3.635 20 30 GHEDRO CCOC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001237484178 1042228859 /nfs/dbraw/zinc/22/88/59/1042228859.db2.gz QSACRAPJTLVZKA-QFIPXVFZSA-N 1 0 378.472 3.707 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(Cc1cc(C#N)c(F)cc1F)C2 ZINC001237531318 1042253496 /nfs/dbraw/zinc/25/34/96/1042253496.db2.gz ZSXVAHOTFGHVDS-IVWMJMPLSA-N 1 0 377.435 3.572 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1 ZINC001237749216 1042351981 /nfs/dbraw/zinc/35/19/81/1042351981.db2.gz QSZJSNICHJRWGJ-UHFFFAOYSA-N 1 0 385.895 3.672 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cc(Cl)cc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001237758141 1042356444 /nfs/dbraw/zinc/35/64/44/1042356444.db2.gz ZWXYTLROKVVESZ-RBBKRZOGSA-N 1 0 381.907 3.858 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CCNc3ccc(C#N)cn3)CC[C@H]21 ZINC001462615928 1070414941 /nfs/dbraw/zinc/41/49/41/1070414941.db2.gz UQXCOIZOALKUMJ-GUDVDZBRSA-N 1 0 399.539 3.523 20 30 GHEDRO CCOC(=O)COc1cccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001237912426 1042419847 /nfs/dbraw/zinc/41/98/47/1042419847.db2.gz VMOWKPDMBHJPPQ-UHFFFAOYSA-N 1 0 378.472 3.880 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238014259 1042459961 /nfs/dbraw/zinc/45/99/61/1042459961.db2.gz OIDWEGQNVXINST-KNQAVFIVSA-N 1 0 381.476 3.595 20 30 GHEDRO COc1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238195967 1042515932 /nfs/dbraw/zinc/51/59/32/1042515932.db2.gz NNIUUWJIHKTYNT-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)ccc1C#N ZINC001238407074 1042586940 /nfs/dbraw/zinc/58/69/40/1042586940.db2.gz KXMNXBMJBBZDAD-UHFFFAOYSA-N 1 0 389.499 3.776 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)ccc1C#N ZINC001238410380 1042587382 /nfs/dbraw/zinc/58/73/82/1042587382.db2.gz PJMGGTVYFBJZIF-QFIPXVFZSA-N 1 0 385.508 3.932 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)ccc1C#N ZINC001238760265 1042717886 /nfs/dbraw/zinc/71/78/86/1042717886.db2.gz GOOMIVRBGJLOFG-UHFFFAOYSA-N 1 0 388.515 3.530 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)ccc1C#N ZINC001238763375 1042718716 /nfs/dbraw/zinc/71/87/16/1042718716.db2.gz SBCVAIORORQBLY-BJKOFHAPSA-N 1 0 391.515 3.856 20 30 GHEDRO CCc1cc(C[N@@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)ccc1C#N ZINC001238774724 1042722904 /nfs/dbraw/zinc/72/29/04/1042722904.db2.gz KNNRORCWUCYFEM-UHFFFAOYSA-N 1 0 389.425 3.642 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC(C)C)ncc1F)CC2 ZINC001238798843 1042733423 /nfs/dbraw/zinc/73/34/23/1042733423.db2.gz XBFPXDGAMDSEPL-NRFANRHFSA-N 1 0 375.488 3.541 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001239291644 1042803857 /nfs/dbraw/zinc/80/38/57/1042803857.db2.gz RAVJCYIXRQMUNP-NRFANRHFSA-N 1 0 380.621 3.972 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001239378568 1042816622 /nfs/dbraw/zinc/81/66/22/1042816622.db2.gz BYDPRYYWANDDES-AWEZNQCLSA-N 1 0 390.336 3.507 20 30 GHEDRO CCCCCCCCCNC(=S)NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001239391487 1042820865 /nfs/dbraw/zinc/82/08/65/1042820865.db2.gz AHUYOYMGZIXHMY-UHFFFAOYSA-N 1 0 376.614 3.918 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC(C3CC[NH2+]CC3)CC2)cc1C(F)(F)F ZINC001239435420 1042828745 /nfs/dbraw/zinc/82/87/45/1042828745.db2.gz YYXZLNJZNTVVRL-UHFFFAOYSA-N 1 0 396.482 3.985 20 30 GHEDRO CCOC(=O)c1ccc(OC(F)(F)F)cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240361182 1042923227 /nfs/dbraw/zinc/92/32/27/1042923227.db2.gz KUZFIOYGJUWFHU-UHFFFAOYSA-N 1 0 390.361 3.987 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3nccc(-c4cc(C#N)c(F)cc4F)n3)cc2)CC1 ZINC001240848889 1042958156 /nfs/dbraw/zinc/95/81/56/1042958156.db2.gz HUAHWXILONXABK-UHFFFAOYSA-N 1 0 391.425 3.712 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-c2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001240851796 1042958928 /nfs/dbraw/zinc/95/89/28/1042958928.db2.gz YBNFRAMVMGXWRC-JKGSRKHOSA-N 1 0 398.576 3.690 20 30 GHEDRO C[C@H]1C[C@@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001291038941 1043048513 /nfs/dbraw/zinc/04/85/13/1043048513.db2.gz VZTPSBUDCUQCND-PXNSSMCTSA-N 1 0 392.551 3.956 20 30 GHEDRO C[C@@H]1CCC[C@](Cn2c(CC3CC3)nnc2N2CCC(C)(C#N)CC2)([NH+](C)C)C1 ZINC001291067591 1043062818 /nfs/dbraw/zinc/06/28/18/1043062818.db2.gz CEWSQEKIDIZNTB-JPYJTQIMSA-N 1 0 398.599 3.871 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001291090825 1043073137 /nfs/dbraw/zinc/07/31/37/1043073137.db2.gz CSGWVTHTUOCXBI-QZTJIDSGSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105612 1043081330 /nfs/dbraw/zinc/08/13/30/1043081330.db2.gz LHFVSCUDXIOTMJ-MSOLQXFVSA-N 1 0 392.551 3.784 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001291127876 1043095806 /nfs/dbraw/zinc/09/58/06/1043095806.db2.gz NLQZYDBEVPFOMJ-RBUKOAKNSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001291437765 1043254794 /nfs/dbraw/zinc/25/47/94/1043254794.db2.gz REVDQUAXJYRKKJ-MOPGFXCFSA-N 1 0 394.567 3.836 20 30 GHEDRO C=CCOCc1ncn2c1CN([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CCC2 ZINC001256542919 1043495797 /nfs/dbraw/zinc/49/57/97/1043495797.db2.gz LPKVJMULCHBXGB-RBBKRZOGSA-N 1 0 394.563 3.845 20 30 GHEDRO C[NH+]1CCC(C#N)(N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)CC1 ZINC001256960476 1043774726 /nfs/dbraw/zinc/77/47/26/1043774726.db2.gz OYHFHXYDRZYBFC-WOJBJXKFSA-N 1 0 398.551 3.705 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](CO)([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257012205 1043798390 /nfs/dbraw/zinc/79/83/90/1043798390.db2.gz AOEKMZDOTOHXHM-XPJNUEMQSA-N 1 0 399.535 3.546 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]C3CCN(C(=O)c4ccncc4)CC3)CC2)cc1 ZINC001257014813 1043799582 /nfs/dbraw/zinc/79/95/82/1043799582.db2.gz RIQFBDSZRBPUPK-UHFFFAOYSA-N 1 0 388.515 3.874 20 30 GHEDRO COc1cnc(OC2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)nc1 ZINC001257022313 1043807454 /nfs/dbraw/zinc/80/74/54/1043807454.db2.gz JREROHUFAXFTIJ-UHFFFAOYSA-N 1 0 392.503 3.926 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+]([C@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257568737 1044054288 /nfs/dbraw/zinc/05/42/88/1044054288.db2.gz QYLRIDYVHRUBCH-CQSZACIVSA-N 1 0 379.298 3.549 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CCC(NC(=[NH2+])c1ccc(Cl)cn1)CC2 ZINC001257751232 1044140406 /nfs/dbraw/zinc/14/04/06/1044140406.db2.gz KGUAHIFTIDGVFM-UHFFFAOYSA-N 1 0 378.904 3.620 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001293464012 1044194739 /nfs/dbraw/zinc/19/47/39/1044194739.db2.gz XVQCLZRAVSYCJU-MOPGFXCFSA-N 1 0 392.551 3.785 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3Cc4cncn4C[C@@H](COc4cccnc4)C3)C[C@H](C1)C2 ZINC001257892257 1044247421 /nfs/dbraw/zinc/24/74/21/1044247421.db2.gz WSWKMCJJVGXYHO-HWPVKAJDSA-N 1 0 378.520 3.924 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4CN(C(=O)c5ccco5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257891714 1044248134 /nfs/dbraw/zinc/24/81/34/1044248134.db2.gz PGUSUFLAJGJQPO-AMSWYYSWSA-N 1 0 384.520 3.577 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@]4(C[C@H](N(C)c5ncccn5)CO4)C3)C[C@H](C1)C2 ZINC001257893754 1044249170 /nfs/dbraw/zinc/24/91/70/1044249170.db2.gz ZBNZTIKGCVQHCC-MOBLKYNXSA-N 1 0 382.552 3.671 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+][C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257953830 1044269992 /nfs/dbraw/zinc/26/99/92/1044269992.db2.gz SSODJZBEMTWNNJ-OAQYLSRUSA-N 1 0 381.907 3.769 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1=O ZINC001257997540 1044324736 /nfs/dbraw/zinc/32/47/36/1044324736.db2.gz FJOFIBZJKZTPDS-UHFFFAOYSA-N 1 0 381.564 3.507 20 30 GHEDRO CCCCCCC[C@H](C)N1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258047202 1044369057 /nfs/dbraw/zinc/36/90/57/1044369057.db2.gz IWVUVCJWPBWRGP-PMACEKPBSA-N 1 0 375.605 3.756 20 30 GHEDRO CC1(C)COC2(CCC([NH2+]C3CCN(Cc4ccccc4C#N)CC3)CC2)OC1 ZINC001258521576 1044598440 /nfs/dbraw/zinc/59/84/40/1044598440.db2.gz UZXHJVYRYRPHSH-UHFFFAOYSA-N 1 0 397.563 3.824 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC3(CC1)OCC(C)(C)CO3)CCO2 ZINC001258525302 1044602973 /nfs/dbraw/zinc/60/29/73/1044602973.db2.gz OPDBSEFKIHSZPW-DENIHFKCSA-N 1 0 393.568 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1(C)C ZINC001258562108 1044639449 /nfs/dbraw/zinc/63/94/49/1044639449.db2.gz NVEDBVFRVREWSP-FQEVSTJZSA-N 1 0 398.551 3.858 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001294745370 1044780670 /nfs/dbraw/zinc/78/06/70/1044780670.db2.gz OFAMIOMEQRZLAR-NRFANRHFSA-N 1 0 378.524 3.502 20 30 GHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)CC#N)c1ccco1 ZINC001295400235 1044999734 /nfs/dbraw/zinc/99/97/34/1044999734.db2.gz KQLHNUQGPLHKFU-AEFFLSMTSA-N 1 0 395.511 3.688 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21)C(C)C ZINC001295827139 1045157248 /nfs/dbraw/zinc/15/72/48/1045157248.db2.gz MBKBPQNQJNTOKM-UXHICEINSA-N 1 0 378.524 3.536 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)C1 ZINC001296039371 1045229864 /nfs/dbraw/zinc/22/98/64/1045229864.db2.gz QTTWZMONCWKTFE-FQEVSTJZSA-N 1 0 392.551 3.929 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(C)(C)C2)C[C@H]1C ZINC001296149042 1045265615 /nfs/dbraw/zinc/26/56/15/1045265615.db2.gz HHHLQQIYMGSEOH-QGZVFWFLSA-N 1 0 392.551 3.783 20 30 GHEDRO N#Cc1ccc(CS(=O)(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC001260045960 1045370662 /nfs/dbraw/zinc/37/06/62/1045370662.db2.gz WDNAFFRBJDIYIU-UHFFFAOYSA-N 1 0 383.517 3.529 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300801057 1046169023 /nfs/dbraw/zinc/16/90/23/1046169023.db2.gz GUHOPRCFNHBOTF-PMAPCBKXSA-N 1 0 383.584 3.904 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300876455 1046220212 /nfs/dbraw/zinc/22/02/12/1046220212.db2.gz SVGBRBTXJDZUHO-BJLQDIEVSA-N 1 0 389.588 3.740 20 30 GHEDRO C=C(Cl)Cn1c(CC2CC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001301049883 1046308379 /nfs/dbraw/zinc/30/83/79/1046308379.db2.gz HDMBPHULWSHXBO-UHFFFAOYSA-N 1 0 385.943 3.614 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCCCCC2)CC1 ZINC001301120391 1046357801 /nfs/dbraw/zinc/35/78/01/1046357801.db2.gz PPUHLIJJXZWREM-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO C=CCn1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)COC(C)(C)C ZINC001262941313 1046439268 /nfs/dbraw/zinc/43/92/68/1046439268.db2.gz IDZGIJIHLKSALX-GOSISDBHSA-N 1 0 389.588 3.621 20 30 GHEDRO C=CCn1c(CCC[N@H+](C)Cc2c(C)noc2C)nnc1N1CCC[C@H]1CC ZINC001262976700 1046462475 /nfs/dbraw/zinc/46/24/75/1046462475.db2.gz MXJYFJCWMVKUTL-GOSISDBHSA-N 1 0 386.544 3.512 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCCOC2)n1CC1([NH+](C)C)CCCCC1)C1CC1 ZINC001301326699 1046489860 /nfs/dbraw/zinc/48/98/60/1046489860.db2.gz GPBGUFSNXVGCEE-GOSISDBHSA-N 1 0 387.572 3.591 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263051496 1046535851 /nfs/dbraw/zinc/53/58/51/1046535851.db2.gz ZDAFIFKDKNIWFZ-ICSRJNTNSA-N 1 0 380.540 3.664 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001301539340 1046587012 /nfs/dbraw/zinc/58/70/12/1046587012.db2.gz QXSWGIYGYDKRJO-SLFFLAALSA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001301557390 1046596734 /nfs/dbraw/zinc/59/67/34/1046596734.db2.gz OOWOWMSQJRPFFI-IBGZPJMESA-N 1 0 389.588 3.522 20 30 GHEDRO C=CCSCCn1c(CC(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001301611442 1046622830 /nfs/dbraw/zinc/62/28/30/1046622830.db2.gz MOSJYSIRXBPSAE-LJQANCHMSA-N 1 0 391.629 3.708 20 30 GHEDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001263257299 1046660778 /nfs/dbraw/zinc/66/07/78/1046660778.db2.gz QFJJNZCQRLFNDJ-SMDDNHRTSA-N 1 0 398.322 3.929 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001263306231 1046704941 /nfs/dbraw/zinc/70/49/41/1046704941.db2.gz SLNCTJBLTOUAQG-RTBURBONSA-N 1 0 387.572 3.590 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC001301880037 1046741960 /nfs/dbraw/zinc/74/19/60/1046741960.db2.gz IOLORGLFSPTVMT-UTKZUKDTSA-N 1 0 379.529 3.677 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)[C@H](C#N)c1cccc(F)n1 ZINC001263383231 1046767893 /nfs/dbraw/zinc/76/78/93/1046767893.db2.gz QRKHRPQOKMDBEY-SJLPKXTDSA-N 1 0 381.451 3.964 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302887889 1047169801 /nfs/dbraw/zinc/16/98/01/1047169801.db2.gz XITALZCFNLOFGQ-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N ZINC001303274219 1047336603 /nfs/dbraw/zinc/33/66/03/1047336603.db2.gz ANUREVKKNQINID-INIZCTEOSA-N 1 0 379.512 3.505 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OC(C)(C)C)c1 ZINC001264578549 1047381776 /nfs/dbraw/zinc/38/17/76/1047381776.db2.gz VOGGWUNZTWKOBG-UHFFFAOYSA-N 1 0 379.504 3.940 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC1)C[NH+]1CCCC1 ZINC001303744417 1047502629 /nfs/dbraw/zinc/50/26/29/1047502629.db2.gz CGZNTQUFNVJRDZ-KRWDZBQOSA-N 1 0 378.524 3.537 20 30 GHEDRO Cc1ccc([C@H](Cn2c(C3CCC3)nnc2N(C)C[C@H](C)C#N)[NH+](C)C)cc1 ZINC001304276999 1047634159 /nfs/dbraw/zinc/63/41/59/1047634159.db2.gz WVMICEBITRAGRR-XLIONFOSSA-N 1 0 380.540 3.753 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304451403 1047681157 /nfs/dbraw/zinc/68/11/57/1047681157.db2.gz NZHABSGFPRIWCG-AZUAARDMSA-N 1 0 395.555 3.507 20 30 GHEDRO Cc1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001304810757 1047777871 /nfs/dbraw/zinc/77/78/71/1047777871.db2.gz CFMHGTDSEIJUMH-XMSQKQJNSA-N 1 0 392.551 3.627 20 30 GHEDRO C=CCCNC(=S)N1CCC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001279936188 1047994751 /nfs/dbraw/zinc/99/47/51/1047994751.db2.gz GCCQTSRIHYPQNG-QGZVFWFLSA-N 1 0 377.520 3.958 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001279985536 1048028407 /nfs/dbraw/zinc/02/84/07/1048028407.db2.gz CDBRMMVSQDONNI-UHFFFAOYSA-N 1 0 382.455 3.605 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305419474 1048039726 /nfs/dbraw/zinc/03/97/26/1048039726.db2.gz OJGQOTIARRFNIM-XLIONFOSSA-N 1 0 380.540 3.834 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC001280009801 1048047921 /nfs/dbraw/zinc/04/79/21/1048047921.db2.gz RBACKMYPEJNHAG-LVFSCSRESA-N 1 0 392.330 3.870 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1ccc(C#N)o1 ZINC001305445474 1048058826 /nfs/dbraw/zinc/05/88/26/1048058826.db2.gz QTYFYQXJSQVKIK-ROUUACIJSA-N 1 0 396.539 3.617 20 30 GHEDRO CCC(CC)[C@@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001305452345 1048065026 /nfs/dbraw/zinc/06/50/26/1048065026.db2.gz XPTUKPFFMKYVFY-XAUMDUMWSA-N 1 0 378.540 3.600 20 30 GHEDRO CS[C@@H](C)CC[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280222578 1048130905 /nfs/dbraw/zinc/13/09/05/1048130905.db2.gz DDDYOFRDCQGSGO-LRDNONRASA-N 1 0 389.590 3.901 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001286302904 1048264823 /nfs/dbraw/zinc/26/48/23/1048264823.db2.gz HEDYLYWOJAIKOM-ICSRJNTNSA-N 1 0 395.551 3.899 20 30 GHEDRO C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001286339963 1048278072 /nfs/dbraw/zinc/27/80/72/1048278072.db2.gz RAOFPRUDQVCTON-IBGZPJMESA-N 1 0 395.551 3.535 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)CC)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001286362629 1048289640 /nfs/dbraw/zinc/28/96/40/1048289640.db2.gz ZZWCIVVOEIONHX-GOSISDBHSA-N 1 0 389.613 3.613 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286371105 1048295054 /nfs/dbraw/zinc/29/50/54/1048295054.db2.gz DOHROIHHHZBAMV-UHFFFAOYSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001286377489 1048298784 /nfs/dbraw/zinc/29/87/84/1048298784.db2.gz XZVJOJWIYOVFAY-UHFFFAOYSA-N 1 0 393.579 3.848 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001305915866 1048306324 /nfs/dbraw/zinc/30/63/24/1048306324.db2.gz BKFLHRCHYLMHDX-NQIIRXRSSA-N 1 0 394.567 3.978 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001286406057 1048307169 /nfs/dbraw/zinc/30/71/69/1048307169.db2.gz PXVUFPSURJIMGN-IBGZPJMESA-N 1 0 393.535 3.574 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001286580752 1048373855 /nfs/dbraw/zinc/37/38/55/1048373855.db2.gz CTASWJXEDFUJJA-HXUWFJFHSA-N 1 0 385.531 3.895 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001306078664 1048396621 /nfs/dbraw/zinc/39/66/21/1048396621.db2.gz BUPIGTCTUUPQAB-NRFANRHFSA-N 1 0 394.567 3.717 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286630930 1048399933 /nfs/dbraw/zinc/39/99/33/1048399933.db2.gz XNYCEWFFZGXPGD-UHFFFAOYSA-N 1 0 387.959 3.850 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286648337 1048414982 /nfs/dbraw/zinc/41/49/82/1048414982.db2.gz QCVMBGSQOQEPIZ-WOJBJXKFSA-N 1 0 394.567 3.541 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286648668 1048416487 /nfs/dbraw/zinc/41/64/87/1048416487.db2.gz TZUDJYHCZHFGFZ-GOSISDBHSA-N 1 0 383.515 3.506 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286661877 1048427919 /nfs/dbraw/zinc/42/79/19/1048427919.db2.gz MXFYHUMCCJCAFH-HXUWFJFHSA-N 1 0 382.556 3.796 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286661938 1048427953 /nfs/dbraw/zinc/42/79/53/1048427953.db2.gz PNVUZKOJZCWGDL-HXUWFJFHSA-N 1 0 394.567 3.863 20 30 GHEDRO CCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001306160339 1048478366 /nfs/dbraw/zinc/47/83/66/1048478366.db2.gz WVZXKVUBMFRTPH-DENIHFKCSA-N 1 0 384.572 3.768 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[NH+](CC)CC ZINC001286721751 1048478490 /nfs/dbraw/zinc/47/84/90/1048478490.db2.gz GBWRWYHAKWCUKS-UHFFFAOYSA-N 1 0 378.524 3.786 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001286721365 1048478651 /nfs/dbraw/zinc/47/86/51/1048478651.db2.gz YIJQYLCEAUVSMJ-SFHVURJKSA-N 1 0 394.548 3.861 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001286724637 1048482294 /nfs/dbraw/zinc/48/22/94/1048482294.db2.gz QIPKDDDXUXASLQ-UHFFFAOYSA-N 1 0 381.568 3.922 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001286730330 1048488818 /nfs/dbraw/zinc/48/88/18/1048488818.db2.gz DLRGOSXBPSBLGN-SFHVURJKSA-N 1 0 399.514 3.635 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@H]1CCCC[N@H+]1CC ZINC001286738710 1048496996 /nfs/dbraw/zinc/49/69/96/1048496996.db2.gz AJTFODRQHRYXFV-HXUWFJFHSA-N 1 0 383.540 3.662 20 30 GHEDRO C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001286747687 1048503485 /nfs/dbraw/zinc/50/34/85/1048503485.db2.gz OZWNUSNUCLZLCV-FQEVSTJZSA-N 1 0 383.515 3.827 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1CC1CC[NH+](CCC)CC1 ZINC001286754800 1048506921 /nfs/dbraw/zinc/50/69/21/1048506921.db2.gz GHQSZMODAVELGR-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001286754788 1048507109 /nfs/dbraw/zinc/50/71/09/1048507109.db2.gz GAFDXLRJLPXQCY-FQEVSTJZSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[N@H+]1CC ZINC001286756480 1048509729 /nfs/dbraw/zinc/50/97/29/1048509729.db2.gz YWJXJLFSKZFCKB-IBGZPJMESA-N 1 0 381.524 3.616 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@@H](C)[NH+](C)C ZINC001286763804 1048515609 /nfs/dbraw/zinc/51/56/09/1048515609.db2.gz UTYXLJQYKKMBPP-QGZVFWFLSA-N 1 0 397.498 3.862 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001286771969 1048519859 /nfs/dbraw/zinc/51/98/59/1048519859.db2.gz CGHKXBFVPCCMAA-QGZVFWFLSA-N 1 0 377.492 3.743 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001306320906 1048565666 /nfs/dbraw/zinc/56/56/66/1048565666.db2.gz BWLHQNKKFOSZSN-UGKGYDQZSA-N 1 0 384.572 3.940 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001306366201 1048602545 /nfs/dbraw/zinc/60/25/45/1048602545.db2.gz DIXSFEVXIXLACO-IRXDYDNUSA-N 1 0 378.524 3.536 20 30 GHEDRO N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)c2)c1 ZINC001306366062 1048602710 /nfs/dbraw/zinc/60/27/10/1048602710.db2.gz JWQWRKKXVYWBMA-FQEVSTJZSA-N 1 0 398.466 3.997 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306366673 1048604700 /nfs/dbraw/zinc/60/47/00/1048604700.db2.gz IJGPMIXOWAAEPS-MOPGFXCFSA-N 1 0 392.551 3.785 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N ZINC001306680197 1048808008 /nfs/dbraw/zinc/80/80/08/1048808008.db2.gz BBQYPISJBWIPHI-MRXNPFEDSA-N 1 0 388.947 3.926 20 30 GHEDRO CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001287611290 1048849860 /nfs/dbraw/zinc/84/98/60/1048849860.db2.gz PHCMNURUPSJYPK-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001306723432 1048851969 /nfs/dbraw/zinc/85/19/69/1048851969.db2.gz RAZRVNISBQZLRP-LJQANCHMSA-N 1 0 384.572 3.940 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(CC)cc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001307032667 1049027003 /nfs/dbraw/zinc/02/70/03/1049027003.db2.gz VITISEMMAFLRBC-QUCCMNQESA-N 1 0 394.567 3.835 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001288514005 1049120936 /nfs/dbraw/zinc/12/09/36/1049120936.db2.gz WVAOGMKWNXDOMP-UHFFFAOYSA-N 1 0 391.450 3.683 20 30 GHEDRO C#CC[N@@H+](CCOc1ccc(C(=O)OC)cc1Cl)Cc1ccc(F)cc1 ZINC001307444886 1049280301 /nfs/dbraw/zinc/28/03/01/1049280301.db2.gz MLXDIEMRPHRULW-UHFFFAOYSA-N 1 0 375.827 3.780 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001307456946 1049292032 /nfs/dbraw/zinc/29/20/32/1049292032.db2.gz QWQGMEYSXQHGSS-IBGZPJMESA-N 1 0 398.551 3.717 20 30 GHEDRO CCN(CC1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC001307495710 1049334081 /nfs/dbraw/zinc/33/40/81/1049334081.db2.gz PYPQJHICYCZMPG-FQEVSTJZSA-N 1 0 387.524 3.561 20 30 GHEDRO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)o1 ZINC001307497593 1049337661 /nfs/dbraw/zinc/33/76/61/1049337661.db2.gz FPTKYYCFAOOVOL-DYESRHJHSA-N 1 0 390.483 3.915 20 30 GHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001307592247 1049430921 /nfs/dbraw/zinc/43/09/21/1049430921.db2.gz KUKIEIPAKQQTMG-FQEVSTJZSA-N 1 0 386.883 3.773 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(c3ccccc3C)CC2)c1 ZINC001307670064 1049492714 /nfs/dbraw/zinc/49/27/14/1049492714.db2.gz MGJVZAMUZZJFCN-UHFFFAOYSA-N 1 0 375.472 3.504 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CCC1 ZINC001307673526 1049495148 /nfs/dbraw/zinc/49/51/48/1049495148.db2.gz YUTMALTYLORQPZ-CTNGQTDRSA-N 1 0 392.478 3.951 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC[N@@H+](C)C2CCCC2)o1 ZINC001289572120 1049545769 /nfs/dbraw/zinc/54/57/69/1049545769.db2.gz URCIBWXXZNDBBJ-UHFFFAOYSA-N 1 0 396.539 3.851 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001307840060 1049626194 /nfs/dbraw/zinc/62/61/94/1049626194.db2.gz RXZHVDHUGHDJGS-WOJBJXKFSA-N 1 0 397.588 3.858 20 30 GHEDRO CC(=O)Nc1cccc2c1C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001307995912 1049745816 /nfs/dbraw/zinc/74/58/16/1049745816.db2.gz MTFSKHRKXKZJAS-UHFFFAOYSA-N 1 0 396.878 3.557 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC001308024190 1049775879 /nfs/dbraw/zinc/77/58/79/1049775879.db2.gz BEYIIYWKOCOLSP-HOJAQTOUSA-N 1 0 389.927 3.521 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001290721524 1049908738 /nfs/dbraw/zinc/90/87/38/1049908738.db2.gz XBVMOJCRODMPHH-HXUWFJFHSA-N 1 0 390.491 3.525 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)c(I)cc1C ZINC001308387395 1049964188 /nfs/dbraw/zinc/96/41/88/1049964188.db2.gz NLSKTAZYGQKODQ-PBHICJAKSA-N 1 0 385.289 3.979 20 30 GHEDRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(C#N)c(C)c2)cc1Br ZINC001308409117 1049969763 /nfs/dbraw/zinc/96/97/63/1049969763.db2.gz VWQQBXGKTNLOAI-GOSISDBHSA-N 1 0 387.321 3.878 20 30 GHEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OCC)c1 ZINC001308413461 1049970292 /nfs/dbraw/zinc/97/02/92/1049970292.db2.gz BQJMFQIEQKWHQF-INIZCTEOSA-N 1 0 391.870 3.931 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(OCCO)CCCCC2)c1 ZINC001308540372 1050003350 /nfs/dbraw/zinc/00/33/50/1050003350.db2.gz GEHLQIDEVXWIGI-UHFFFAOYSA-N 1 0 394.515 3.939 20 30 GHEDRO COC(=O)[C@@H](C)Oc1ccccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001308608048 1050029505 /nfs/dbraw/zinc/02/95/05/1050029505.db2.gz QUQRHTUATKIYQL-QGZVFWFLSA-N 1 0 376.456 3.788 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001308611323 1050031342 /nfs/dbraw/zinc/03/13/42/1050031342.db2.gz GIOMJIXNGHFRGL-MJGOQNOKSA-N 1 0 399.535 3.574 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc(C(=O)OC)o3)c(OCC)c2)C1 ZINC001308880071 1050136684 /nfs/dbraw/zinc/13/66/84/1050136684.db2.gz FOAKDBZQLCXIMD-QGZVFWFLSA-N 1 0 397.471 3.889 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001327860132 1050301522 /nfs/dbraw/zinc/30/15/22/1050301522.db2.gz QYOJDPQZAATHQF-UHFFFAOYSA-N 1 0 384.568 3.716 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCOCC1 ZINC001328835603 1050654349 /nfs/dbraw/zinc/65/43/49/1050654349.db2.gz ZCGWFAIAHZYIHS-DLBZAZTESA-N 1 0 385.533 3.547 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cccc2c1CCCC2)C(C)C ZINC001309406106 1050687077 /nfs/dbraw/zinc/68/70/77/1050687077.db2.gz QREKENNTTLBNKZ-HXUWFJFHSA-N 1 0 376.566 3.542 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCc2ccc(OC(F)(F)F)cc2)c1 ZINC001329134351 1050730988 /nfs/dbraw/zinc/73/09/88/1050730988.db2.gz JIQLAWSAOLAWOC-UHFFFAOYSA-N 1 0 377.366 3.618 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]([C@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058535 1050948047 /nfs/dbraw/zinc/94/80/47/1050948047.db2.gz BSEXACKRLKNCDP-RTBURBONSA-N 1 0 399.564 3.901 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC001310019380 1051102762 /nfs/dbraw/zinc/10/27/62/1051102762.db2.gz ONSXFWHWOCJGAX-QAPCUYQASA-N 1 0 389.931 3.638 20 30 GHEDRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1cccc(C#N)c1[O-] ZINC001332867292 1051587321 /nfs/dbraw/zinc/58/73/21/1051587321.db2.gz XCXFUKZABQAHEO-KRWDZBQOSA-N 1 0 391.393 3.753 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C[C@H]2C1 ZINC001333932634 1051871492 /nfs/dbraw/zinc/87/14/92/1051871492.db2.gz VKGIDQSLOHNSJX-GUDVDZBRSA-N 1 0 393.487 3.533 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001311561313 1052245811 /nfs/dbraw/zinc/24/58/11/1052245811.db2.gz WKDAKDBJVBPFCX-UHFFFAOYSA-N 1 0 390.531 3.975 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC001312674833 1052833294 /nfs/dbraw/zinc/83/32/94/1052833294.db2.gz JELYTAYSVFYLMJ-GCJKJVERSA-N 1 0 379.504 3.714 20 30 GHEDRO C#C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC001312935896 1052915393 /nfs/dbraw/zinc/91/53/93/1052915393.db2.gz CETYEYPUOYUEPW-SFHVURJKSA-N 1 0 392.341 3.735 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1ccc(Br)cc1 ZINC001312937326 1052915794 /nfs/dbraw/zinc/91/57/94/1052915794.db2.gz PCQNKBGVKICTJI-MSOLQXFVSA-N 1 0 392.341 3.543 20 30 GHEDRO C#CCN1CCC[C@H](NC(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)C1 ZINC001313283142 1053005489 /nfs/dbraw/zinc/00/54/89/1053005489.db2.gz XKDGWPHNSAWSRO-QFIPXVFZSA-N 1 0 391.515 3.505 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H](C)CC#N ZINC001313447302 1053056558 /nfs/dbraw/zinc/05/65/58/1053056558.db2.gz LSMJYLMRSUENJF-HKUYNNGSSA-N 1 0 396.539 3.566 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001342299671 1053085090 /nfs/dbraw/zinc/08/50/90/1053085090.db2.gz QSRGKWGBEDSAGZ-JBACZVJFSA-N 1 0 395.551 3.805 20 30 GHEDRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(C#N)CC1)c1ccco1 ZINC001313666131 1053160451 /nfs/dbraw/zinc/16/04/51/1053160451.db2.gz ULNVPBRYNSMBOA-SFHVURJKSA-N 1 0 384.528 3.818 20 30 GHEDRO [NH3+][C@@H](C(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC001342433374 1053166909 /nfs/dbraw/zinc/16/69/09/1053166909.db2.gz ZPCNCGGIBCKOQQ-DGCLKSJQSA-N 1 0 384.295 3.598 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC(F)(F)CC1 ZINC001342456377 1053180236 /nfs/dbraw/zinc/18/02/36/1053180236.db2.gz VBWPRMDFCYWTOH-ALOPSCKCSA-N 1 0 379.499 3.505 20 30 GHEDRO CC[N@H+](CCn1c(Cc2ccsc2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 ZINC001313817713 1053244830 /nfs/dbraw/zinc/24/48/30/1053244830.db2.gz ZKSSPHRCUIUHQS-OAQYLSRUSA-N 1 0 398.580 3.545 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 ZINC001313887423 1053271568 /nfs/dbraw/zinc/27/15/68/1053271568.db2.gz DBXWRVYEOVYSHW-BJLQDIEVSA-N 1 0 392.551 3.783 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nnc1C(C#N)(CC)CC ZINC001342664534 1053287773 /nfs/dbraw/zinc/28/77/73/1053287773.db2.gz LDGYPPGBZMQCED-OTWHNJEPSA-N 1 0 384.572 3.602 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001342891795 1053414458 /nfs/dbraw/zinc/41/44/58/1053414458.db2.gz VNXAPSGCGAEGHZ-VAMGGRTRSA-N 1 0 384.572 3.654 20 30 GHEDRO CC(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1C1(C#N)CCCC1 ZINC001342928270 1053440639 /nfs/dbraw/zinc/44/06/39/1053440639.db2.gz ZYSHGTUZGZSPSJ-UHFFFAOYSA-N 1 0 384.572 3.724 20 30 GHEDRO C[NH+](C)C1(Cn2c(Cc3ccsc3)nnc2N(CCC#N)CC2CC2)CCC1 ZINC001314657402 1053552890 /nfs/dbraw/zinc/55/28/90/1053552890.db2.gz BOPVDDBKYYONAX-UHFFFAOYSA-N 1 0 398.580 3.545 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1CC[NH+]1CCCCC1 ZINC001314728689 1053579878 /nfs/dbraw/zinc/57/98/78/1053579878.db2.gz DAHGPXLESNOZLV-UHFFFAOYSA-N 1 0 392.551 3.930 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001314729116 1053579990 /nfs/dbraw/zinc/57/99/90/1053579990.db2.gz HBVLMMBRUKOUIH-LJQANCHMSA-N 1 0 392.551 3.568 20 30 GHEDRO CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001343222222 1053630651 /nfs/dbraw/zinc/63/06/51/1053630651.db2.gz JPTHLPPUIVPSDL-HXUWFJFHSA-N 1 0 389.540 3.647 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001343232633 1053636823 /nfs/dbraw/zinc/63/68/23/1053636823.db2.gz JICLCRQBALFFSM-NRSPTQNISA-N 1 0 399.583 3.939 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1cccs1 ZINC001343549230 1053866801 /nfs/dbraw/zinc/86/68/01/1053866801.db2.gz RPSRBKNGKLISPB-UHFFFAOYSA-N 1 0 398.580 3.644 20 30 GHEDRO C#CCC(C)(C)c1nnc(N2CC[C@H](C[NH+](CC)CC)C2)n1Cc1cccs1 ZINC001343642648 1053942784 /nfs/dbraw/zinc/94/27/84/1053942784.db2.gz GJCPBDFGFHPGPE-GOSISDBHSA-N 1 0 399.608 3.857 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(C3(C#N)CCCC3)n2Cc2ccccc2)CC1 ZINC001343967545 1054148574 /nfs/dbraw/zinc/14/85/74/1054148574.db2.gz RPWCEYPXPWFEJX-UHFFFAOYSA-N 1 0 392.551 3.629 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNc2ncccc2C#N)c1 ZINC001318339787 1054575210 /nfs/dbraw/zinc/57/52/10/1054575210.db2.gz WTHJPYNHDOYRST-UHFFFAOYSA-N 1 0 383.455 3.606 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001318750311 1054842314 /nfs/dbraw/zinc/84/23/14/1054842314.db2.gz RHSIFZQEOXRRLN-UHFFFAOYSA-N 1 0 398.595 3.712 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(OCC#N)cc1 ZINC001318784760 1054873352 /nfs/dbraw/zinc/87/33/52/1054873352.db2.gz LQBUWLFOJOCFLQ-GOSISDBHSA-N 1 0 378.476 3.717 20 30 GHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001318879657 1054930384 /nfs/dbraw/zinc/93/03/84/1054930384.db2.gz SRMUZDMCSDWSOS-GOSISDBHSA-N 1 0 378.476 3.717 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2CC2CC2)C1 ZINC001345385993 1055016473 /nfs/dbraw/zinc/01/64/73/1055016473.db2.gz CGSJSFVRMWDOHH-XXBNENTESA-N 1 0 396.583 3.582 20 30 GHEDRO C#CC[N@@H+](C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)CC1CC1 ZINC001319552940 1055320963 /nfs/dbraw/zinc/32/09/63/1055320963.db2.gz YDQSFXVJXVNQGD-QFIPXVFZSA-N 1 0 385.454 3.777 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C)o2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300444199 1056108356 /nfs/dbraw/zinc/10/83/56/1056108356.db2.gz UTVIYXFVJRISJQ-QZTJIDSGSA-N 1 0 383.540 3.674 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(OCC#N)c1 ZINC001321241597 1056180775 /nfs/dbraw/zinc/18/07/75/1056180775.db2.gz QCUAQSINFQAYFR-QFIPXVFZSA-N 1 0 394.519 3.545 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300468569 1056205046 /nfs/dbraw/zinc/20/50/46/1056205046.db2.gz DFUAMQSUNJMERC-GOSISDBHSA-N 1 0 399.970 3.712 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC001321544737 1056311017 /nfs/dbraw/zinc/31/10/17/1056311017.db2.gz QENWCLHHMLJJPV-UHFFFAOYSA-N 1 0 375.881 3.608 20 30 GHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001354347818 1056549611 /nfs/dbraw/zinc/54/96/11/1056549611.db2.gz UMRNQMKUKLIFEA-PTUXOGIPSA-N 1 0 399.579 3.926 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001322287462 1056609877 /nfs/dbraw/zinc/60/98/77/1056609877.db2.gz ZNBPTOZFSMSIOJ-HKUYNNGSSA-N 1 0 383.471 3.821 20 30 GHEDRO C#CCN(CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001300635774 1056738604 /nfs/dbraw/zinc/73/86/04/1056738604.db2.gz VXANKPLTXYVWAU-QFIPXVFZSA-N 1 0 393.579 3.787 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(CCCCC#N)n2CCc2ccccc2)CC1 ZINC001354524303 1056742418 /nfs/dbraw/zinc/74/24/18/1056742418.db2.gz VCMMSFKNOLTTRV-UHFFFAOYSA-N 1 0 394.567 3.724 20 30 GHEDRO Cc1cc(C#N)cc(NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)n1 ZINC001472746212 1056796367 /nfs/dbraw/zinc/79/63/67/1056796367.db2.gz HPWWJIFQSIWYTA-HDICACEKSA-N 1 0 378.520 3.883 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](C(C)(C)C)CC1 ZINC001322761602 1056838514 /nfs/dbraw/zinc/83/85/14/1056838514.db2.gz DRDLLRUHYVEQOW-HNNXBMFYSA-N 1 0 388.581 3.632 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3nc(Cl)sc3Cl)CC2)c1 ZINC000848246444 1056937805 /nfs/dbraw/zinc/93/78/05/1056937805.db2.gz NIGXAQHEEYBBLE-UHFFFAOYSA-N 1 0 395.315 3.716 20 30 GHEDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000848407265 1057070169 /nfs/dbraw/zinc/07/01/69/1057070169.db2.gz NMNCXQAXPBDJSO-QFIPXVFZSA-N 1 0 394.519 3.706 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)cc1C#N ZINC000848536769 1057159112 /nfs/dbraw/zinc/15/91/12/1057159112.db2.gz WDYLAPYMDZXAIQ-NSHDSACASA-N 1 0 391.265 3.894 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000848645776 1057222281 /nfs/dbraw/zinc/22/22/81/1057222281.db2.gz YKEVEPIZUSLKLW-CQSZACIVSA-N 1 0 382.277 3.515 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC001355888087 1057305660 /nfs/dbraw/zinc/30/56/60/1057305660.db2.gz JXFJBHWRJNEMFS-FQEVSTJZSA-N 1 0 395.551 3.666 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001355996756 1057349842 /nfs/dbraw/zinc/34/98/42/1057349842.db2.gz ILOLANQHBRAIPP-UHFFFAOYSA-N 1 0 384.528 3.581 20 30 GHEDRO N#CCOc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001325846850 1057372721 /nfs/dbraw/zinc/37/27/21/1057372721.db2.gz ULGUUGCOAWLHKF-LJQANCHMSA-N 1 0 385.414 3.685 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1cnccc1NC(=O)OC(C)(C)C ZINC001325887646 1057380567 /nfs/dbraw/zinc/38/05/67/1057380567.db2.gz HRIQYSLQDCYQGG-OAHLLOKOSA-N 1 0 382.464 3.604 20 30 GHEDRO C=CCn1c([C@H](O)CC2CCCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001356214254 1057432739 /nfs/dbraw/zinc/43/27/39/1057432739.db2.gz BKMWQMRLNJIFIL-VQTJNVASSA-N 1 0 389.588 3.636 20 30 GHEDRO C[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2C#N)[C@H]1c1ccc(F)cc1 ZINC001326492904 1057496217 /nfs/dbraw/zinc/49/62/17/1057496217.db2.gz SKMRYRFFDLFKBB-HZPDHXFCSA-N 1 0 375.245 3.712 20 30 GHEDRO C=C(C)CNC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000849003696 1057510256 /nfs/dbraw/zinc/51/02/56/1057510256.db2.gz ZXQKQEKDMHRPNB-OAHLLOKOSA-N 1 0 376.854 3.955 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000849050474 1057559327 /nfs/dbraw/zinc/55/93/27/1057559327.db2.gz SQEQMUPIZIBVFU-HXUWFJFHSA-N 1 0 394.544 3.806 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001356619138 1057574858 /nfs/dbraw/zinc/57/48/58/1057574858.db2.gz XEYMDPJXEMEOSQ-TZIWHRDSSA-N 1 0 392.551 3.972 20 30 GHEDRO N#Cc1ccc(CCC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001440048018 1058399697 /nfs/dbraw/zinc/39/96/97/1058399697.db2.gz QSDJCMPBDJFDIG-TZRRMPRUSA-N 1 0 387.527 3.908 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1OC ZINC001440212195 1058466905 /nfs/dbraw/zinc/46/69/05/1058466905.db2.gz QYPXAVHMISORLB-PEEACERWSA-N 1 0 396.531 3.608 20 30 GHEDRO C=CCn1c(-c2c(C)n[nH]c2C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001338647109 1058707627 /nfs/dbraw/zinc/70/76/27/1058707627.db2.gz VPTQFVURLUFIAT-UHFFFAOYSA-N 1 0 397.571 3.706 20 30 GHEDRO C=CCn1c([C@H]2CCCc3cccnc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001338724269 1058749244 /nfs/dbraw/zinc/74/92/44/1058749244.db2.gz WAPMLKQKMZSBNA-IBGZPJMESA-N 1 0 394.567 3.638 20 30 GHEDRO COc1cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1C#N ZINC001441385937 1058771327 /nfs/dbraw/zinc/77/13/27/1058771327.db2.gz XPFPNMACLGSIIV-QGZVFWFLSA-N 1 0 377.488 3.871 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001338782399 1058783028 /nfs/dbraw/zinc/78/30/28/1058783028.db2.gz ZGRJGGXJHIAVMU-REWPJTCUSA-N 1 0 377.488 3.640 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001338870921 1058845087 /nfs/dbraw/zinc/84/50/87/1058845087.db2.gz KONVSSWBUVATOH-QGZVFWFLSA-N 1 0 392.507 3.619 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001339125208 1058970793 /nfs/dbraw/zinc/97/07/93/1058970793.db2.gz IKLAIOZOSYTYKE-FGZHOGPDSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001339130967 1058972656 /nfs/dbraw/zinc/97/26/56/1058972656.db2.gz PJOAMFGHGVYHNW-IEBWSBKVSA-N 1 0 387.572 3.652 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC001442661370 1058989640 /nfs/dbraw/zinc/98/96/40/1058989640.db2.gz KYEBYBOGWUSAKA-NSHGMRRFSA-N 1 0 396.535 3.531 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC2(CC2)CC1 ZINC001339248735 1059040801 /nfs/dbraw/zinc/04/08/01/1059040801.db2.gz DUOWGCWNZKZDPU-IBGZPJMESA-N 1 0 385.556 3.551 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccc(F)cc1Br)C(C)C ZINC001443422604 1059127007 /nfs/dbraw/zinc/12/70/07/1059127007.db2.gz FNGIBBBYSXEIDS-GOSISDBHSA-N 1 0 397.332 3.946 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001339498353 1059257624 /nfs/dbraw/zinc/25/76/24/1059257624.db2.gz GBJDEMVMCOOITR-QAPCUYQASA-N 1 0 396.495 3.546 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001339615719 1059348535 /nfs/dbraw/zinc/34/85/35/1059348535.db2.gz ZCZARMRRPBVPRQ-SESVDKBCSA-N 1 0 392.551 3.664 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001339775772 1059461285 /nfs/dbraw/zinc/46/12/85/1059461285.db2.gz ZHCSJCUJLVHNBV-BULFRSBZSA-N 1 0 387.572 3.652 20 30 GHEDRO Cn1c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001339933401 1059566629 /nfs/dbraw/zinc/56/66/29/1059566629.db2.gz JDIQZLVSHBRREH-AUSIDOKSSA-N 1 0 396.583 3.633 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001340223198 1059776510 /nfs/dbraw/zinc/77/65/10/1059776510.db2.gz BSVSPSLILFQHKG-VQTJNVASSA-N 1 0 384.572 3.964 20 30 GHEDRO C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340673375 1060037932 /nfs/dbraw/zinc/03/79/32/1060037932.db2.gz ZSTRTBHRKVIDSM-UHFFFAOYSA-N 1 0 378.524 3.508 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2nnc(C(C)(C)C#N)n2Cc2ccccc2)CC1 ZINC001340678728 1060043560 /nfs/dbraw/zinc/04/35/60/1060043560.db2.gz VNNKIJUPOWCKLK-UHFFFAOYSA-N 1 0 392.551 3.582 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1C(F)(F)CC1CC1 ZINC001340798335 1060133229 /nfs/dbraw/zinc/13/32/29/1060133229.db2.gz JUROIDKYWXBLMS-UHFFFAOYSA-N 1 0 391.470 3.563 20 30 GHEDRO C#CCC(C)(C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCc1ccccc1 ZINC001340995855 1060318836 /nfs/dbraw/zinc/31/88/36/1060318836.db2.gz UHRGHOCXKKZBPS-UHFFFAOYSA-N 1 0 393.579 3.789 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001449380970 1060394530 /nfs/dbraw/zinc/39/45/30/1060394530.db2.gz BVAGCIVTXFEAPL-UXHICEINSA-N 1 0 397.604 3.678 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001451879702 1060855343 /nfs/dbraw/zinc/85/53/43/1060855343.db2.gz WHZIPXJZXOPTPI-GOSISDBHSA-N 1 0 379.342 3.881 20 30 GHEDRO N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001341821592 1060908955 /nfs/dbraw/zinc/90/89/55/1060908955.db2.gz SQDWLWJOVPOYDY-QGZVFWFLSA-N 1 0 381.863 3.897 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 ZINC001341868147 1060930336 /nfs/dbraw/zinc/93/03/36/1060930336.db2.gz IKWXEMAGFIIYSK-FQEVSTJZSA-N 1 0 395.551 3.666 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccccc1 ZINC001341880670 1060934377 /nfs/dbraw/zinc/93/43/77/1060934377.db2.gz UOYUPENYTYCIHN-LJQANCHMSA-N 1 0 392.551 3.798 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001452679570 1060984046 /nfs/dbraw/zinc/98/40/46/1060984046.db2.gz OUVWYPJIDBNLDM-UHFFFAOYSA-N 1 0 377.488 3.695 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N(C)Cc1nc2ccccc2s1 ZINC001342003773 1060991235 /nfs/dbraw/zinc/99/12/35/1060991235.db2.gz NJDXJXNZTQDYSH-INIZCTEOSA-N 1 0 382.537 3.867 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001342171806 1061103644 /nfs/dbraw/zinc/10/36/44/1061103644.db2.gz GVMRYTQQGVLXOT-CEWLAPEOSA-N 1 0 390.535 3.582 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342173482 1061105104 /nfs/dbraw/zinc/10/51/04/1061105104.db2.gz TVCZWINZDIPIEJ-MJGOQNOKSA-N 1 0 396.539 3.579 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCc3cccnc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342202255 1061129936 /nfs/dbraw/zinc/12/99/36/1061129936.db2.gz GHBJWOCPYLZNDC-HXUWFJFHSA-N 1 0 394.567 3.684 20 30 GHEDRO C=C(C)Cn1c([C@H](OC)C2CC2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001345933580 1061213522 /nfs/dbraw/zinc/21/35/22/1061213522.db2.gz CIMAZYHLNMSYAR-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO CCC(CC)(CNC(=O)NCC1(C#N)CCOCC1)[NH2+][C@H](C)c1ccccc1 ZINC001346200094 1061445365 /nfs/dbraw/zinc/44/53/65/1061445365.db2.gz JSVCVUTVHWSFMR-GOSISDBHSA-N 1 0 386.540 3.516 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3[nH]ccc3-c3ccccc3)CC2)c1 ZINC001346307720 1061508731 /nfs/dbraw/zinc/50/87/31/1061508731.db2.gz TZKICVFLYOJDAR-UHFFFAOYSA-N 1 0 384.483 3.948 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ncccc23)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001346315454 1061512248 /nfs/dbraw/zinc/51/22/48/1061512248.db2.gz LCBIEIZQWSWDJO-UHFFFAOYSA-N 1 0 393.539 3.708 20 30 GHEDRO C=C(C)Cn1c(C[C@@H](C)SCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001346485004 1061596894 /nfs/dbraw/zinc/59/68/94/1061596894.db2.gz VGYXINOZCKNVPT-GOSISDBHSA-N 1 0 391.629 3.993 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001346496907 1061612996 /nfs/dbraw/zinc/61/29/96/1061612996.db2.gz YAZFKHAWUYPQDE-IBGZPJMESA-N 1 0 394.567 3.856 20 30 GHEDRO Cc1cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001455182416 1062037200 /nfs/dbraw/zinc/03/72/00/1062037200.db2.gz FEBZZXZWQCVLFQ-UHFFFAOYSA-N 1 0 376.504 3.666 20 30 GHEDRO N#C[C@@H]1CC[C@@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC001347247022 1062240304 /nfs/dbraw/zinc/24/03/04/1062240304.db2.gz VBFJTLHCCWWHJV-PSWRPDDJSA-N 1 0 375.472 3.533 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)CC1 ZINC001455950450 1062368729 /nfs/dbraw/zinc/36/87/29/1062368729.db2.gz YXXXSUXNGLEBPV-ZWKOTPCHSA-N 1 0 381.545 3.784 20 30 GHEDRO CCOC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC001459382641 1064082015 /nfs/dbraw/zinc/08/20/15/1064082015.db2.gz BKXHJHFNJKCJCQ-UHFFFAOYSA-N 1 0 393.487 3.832 20 30 GHEDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC001459516759 1064117955 /nfs/dbraw/zinc/11/79/55/1064117955.db2.gz LZTWJILGPHNBFV-GOSISDBHSA-N 1 0 380.454 3.931 20 30 GHEDRO C#CC[N@H+](CC)CCCOc1c(Br)cccc1Br ZINC001459607807 1064140647 /nfs/dbraw/zinc/14/06/47/1064140647.db2.gz FZDSIHQJTQQZEW-UHFFFAOYSA-N 1 0 375.104 3.936 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001459635206 1064152108 /nfs/dbraw/zinc/15/21/08/1064152108.db2.gz TXTGPEPYGCUXIJ-WBADGQHESA-N 1 0 384.564 3.878 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CCCC2)c1 ZINC001459740348 1064195526 /nfs/dbraw/zinc/19/55/26/1064195526.db2.gz MOJUHIQTNAOEPO-UHFFFAOYSA-N 1 0 393.462 3.900 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)C1=O ZINC001459833256 1064236844 /nfs/dbraw/zinc/23/68/44/1064236844.db2.gz IKHKNXGDEQOUIO-SXLOBPIMSA-N 1 0 386.536 3.871 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](CC)c2ccc(Cl)s2)c1 ZINC001459923053 1064274933 /nfs/dbraw/zinc/27/49/33/1064274933.db2.gz GSLNQFRXNDOLQB-CQSZACIVSA-N 1 0 375.881 3.772 20 30 GHEDRO CC(C)[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001459956233 1064301626 /nfs/dbraw/zinc/30/16/26/1064301626.db2.gz XOIWHCJIEVHBDQ-HXUWFJFHSA-N 1 0 387.524 3.904 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001351573794 1064518703 /nfs/dbraw/zinc/51/87/03/1064518703.db2.gz KJUPVCYLZYKXDW-SFHVURJKSA-N 1 0 396.514 3.723 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C)c(C#N)c2)CC1 ZINC001351782959 1064600230 /nfs/dbraw/zinc/60/02/30/1064600230.db2.gz ZOIPWSDQYPRXCG-KRWDZBQOSA-N 1 0 394.494 3.639 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC001463826083 1064652603 /nfs/dbraw/zinc/65/26/03/1064652603.db2.gz WLOJYETYPRHHSN-UHFFFAOYSA-N 1 0 397.972 3.683 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC001464504359 1065050980 /nfs/dbraw/zinc/05/09/80/1065050980.db2.gz RNUTVRRQZMPRLU-SFHVURJKSA-N 1 0 381.561 3.617 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC001464564335 1065083984 /nfs/dbraw/zinc/08/39/84/1065083984.db2.gz WNFAPQJWESYLTB-FQEVSTJZSA-N 1 0 396.535 3.822 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001352894571 1065426703 /nfs/dbraw/zinc/42/67/03/1065426703.db2.gz GDXKZGGZFDZLNX-OTWHNJEPSA-N 1 0 395.551 3.696 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC001465431618 1065607976 /nfs/dbraw/zinc/60/79/76/1065607976.db2.gz OFANUWKFFOXYPU-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001465484966 1065656433 /nfs/dbraw/zinc/65/64/33/1065656433.db2.gz SQIPADVDINDDGZ-FQEVSTJZSA-N 1 0 378.516 3.917 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001465529242 1065689860 /nfs/dbraw/zinc/68/98/60/1065689860.db2.gz IMUHYHUTELXLRK-KRWDZBQOSA-N 1 0 392.503 3.909 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001465730332 1065815925 /nfs/dbraw/zinc/81/59/25/1065815925.db2.gz QFEHEXSQMDXXTA-KRWDZBQOSA-N 1 0 379.464 3.551 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300293808 1065943364 /nfs/dbraw/zinc/94/33/64/1065943364.db2.gz SEBKCXWKTJTVSL-MOPGFXCFSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001300312411 1065971121 /nfs/dbraw/zinc/97/11/21/1065971121.db2.gz ZRMJIAISWTWVOF-MOPGFXCFSA-N 1 0 383.540 3.755 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001466086339 1065977931 /nfs/dbraw/zinc/97/79/31/1065977931.db2.gz VIQISBJLOIULLR-XXBNENTESA-N 1 0 390.487 3.553 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745297 1066014183 /nfs/dbraw/zinc/01/41/83/1066014183.db2.gz FUMMTBCKRXVCFH-KHPPLWFESA-N 1 0 385.467 3.921 20 30 GHEDRO CC(=O)c1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000847747488 1066023673 /nfs/dbraw/zinc/02/36/73/1066023673.db2.gz JSTBFRZBCCZCCK-UHFFFAOYSA-N 1 0 394.446 3.991 20 30 GHEDRO C[C@@H]1CCC[C@@H](OCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847749471 1066034688 /nfs/dbraw/zinc/03/46/88/1066034688.db2.gz QTLQFTSKVFDTFT-TZIWHRDSSA-N 1 0 384.520 3.931 20 30 GHEDRO N#CC1(COC(=O)/C=C/c2cncc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000847749575 1066035065 /nfs/dbraw/zinc/03/50/65/1066035065.db2.gz UZOJHUHWUYBUSS-VOTSOKGWSA-N 1 0 379.435 3.583 20 30 GHEDRO CO[C@](C)(C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000847749496 1066036151 /nfs/dbraw/zinc/03/61/51/1066036151.db2.gz RRVVSXGZHXSYKB-QHCPKHFHSA-N 1 0 392.499 3.897 20 30 GHEDRO C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300345120 1066054803 /nfs/dbraw/zinc/05/48/03/1066054803.db2.gz PGSBOHODZAKJQF-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001300384444 1066148929 /nfs/dbraw/zinc/14/89/29/1066148929.db2.gz PPWOIHMJLQFOKT-FPOVZHCZSA-N 1 0 379.552 3.764 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001353699765 1066150381 /nfs/dbraw/zinc/15/03/81/1066150381.db2.gz MFRPVNBXEVFHTR-UYAOXDASSA-N 1 0 393.539 3.514 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC001466497297 1066172732 /nfs/dbraw/zinc/17/27/32/1066172732.db2.gz LIJKHVXQGIAMNH-HNNXBMFYSA-N 1 0 379.302 3.563 20 30 GHEDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC001467167920 1067115432 /nfs/dbraw/zinc/11/54/32/1067115432.db2.gz NHCZFOUALVFYTJ-OXQOHEQNSA-N 1 0 378.476 3.741 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001467194469 1067141588 /nfs/dbraw/zinc/14/15/88/1067141588.db2.gz RLPLGDFNYQMOSA-QGZVFWFLSA-N 1 0 382.430 3.583 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](O)c1ccccc1)C(C)C ZINC001467660597 1067404789 /nfs/dbraw/zinc/40/47/89/1067404789.db2.gz UFRQUEKZZASRLS-BDTNDASRSA-N 1 0 385.552 3.593 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001467728578 1067439604 /nfs/dbraw/zinc/43/96/04/1067439604.db2.gz MECRXRRREJLVIY-QGZVFWFLSA-N 1 0 383.577 3.624 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC001473432678 1067559055 /nfs/dbraw/zinc/55/90/55/1067559055.db2.gz VXXJVKPYQUOTSE-OAHLLOKOSA-N 1 0 382.346 3.524 20 30 GHEDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(C)C ZINC001474154527 1067588708 /nfs/dbraw/zinc/58/87/08/1067588708.db2.gz HIQZYUOSOHXBDD-QFIPXVFZSA-N 1 0 379.504 3.730 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001358882993 1067594902 /nfs/dbraw/zinc/59/49/02/1067594902.db2.gz LPIDRZXTEXBJED-UXHICEINSA-N 1 0 379.552 3.976 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358895673 1067602530 /nfs/dbraw/zinc/60/25/30/1067602530.db2.gz OHBFXMVYAXEHMY-RTBURBONSA-N 1 0 385.600 3.979 20 30 GHEDRO C#CCCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001358929605 1067617425 /nfs/dbraw/zinc/61/74/25/1067617425.db2.gz DPSYZCWOMWRQTB-ICSRJNTNSA-N 1 0 383.584 3.733 20 30 GHEDRO C#CCCCn1c(CC2CC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001358932611 1067618636 /nfs/dbraw/zinc/61/86/36/1067618636.db2.gz QGWCYPRJFTWFSM-JOCHJYFZSA-N 1 0 391.563 3.745 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCC[NH+]1CCCCC1 ZINC001358973011 1067631946 /nfs/dbraw/zinc/63/19/46/1067631946.db2.gz BNZCRRQZNGAORG-UHFFFAOYSA-N 1 0 395.938 3.547 20 30 GHEDRO C#CCN(CC#C)c1nnc(C2CCC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001358977740 1067633630 /nfs/dbraw/zinc/63/36/30/1067633630.db2.gz VCLJMECYEQRHCU-IBGZPJMESA-N 1 0 389.547 3.748 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@H+](C)C(C)C ZINC001359000616 1067643361 /nfs/dbraw/zinc/64/33/61/1067643361.db2.gz AMMHSAKOBOJGPX-UHFFFAOYSA-N 1 0 379.552 3.548 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](C)CC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359000022 1067643371 /nfs/dbraw/zinc/64/33/71/1067643371.db2.gz KAFBBOAVDMWQTG-SFHVURJKSA-N 1 0 389.613 3.613 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCCCC1 ZINC001359003876 1067645467 /nfs/dbraw/zinc/64/54/67/1067645467.db2.gz ABCMUFVVZRUPBB-UHFFFAOYSA-N 1 0 389.906 3.683 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCC[NH+]1CCC(C)CC1 ZINC001359067002 1067668457 /nfs/dbraw/zinc/66/84/57/1067668457.db2.gz XFVDGGKQVOXILK-HSZRJFAPSA-N 1 0 395.551 3.961 20 30 GHEDRO C=C(Br)CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC001468376309 1067709248 /nfs/dbraw/zinc/70/92/48/1067709248.db2.gz VESZBTKPUGGGJK-QGZVFWFLSA-N 1 0 380.330 3.591 20 30 GHEDRO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001468478847 1067746353 /nfs/dbraw/zinc/74/63/53/1067746353.db2.gz OIBPWPJKCFNFQM-KNQAVFIVSA-N 1 0 382.548 3.856 20 30 GHEDRO C=CCC(C)(C)Cn1c(CC)nnc1N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001359189709 1067755998 /nfs/dbraw/zinc/75/59/98/1067755998.db2.gz SKILKCBUZBBIGW-UHFFFAOYSA-N 1 0 393.579 3.732 20 30 GHEDRO C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359222563 1067804789 /nfs/dbraw/zinc/80/47/89/1067804789.db2.gz LOEVADMEXGLUDB-IBGZPJMESA-N 1 0 389.588 3.839 20 30 GHEDRO C=CC[C@H]1N(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CCCC1(C)C ZINC001468696429 1067831210 /nfs/dbraw/zinc/83/12/10/1067831210.db2.gz JOPDBNNZKSOSIB-OAQYLSRUSA-N 1 0 384.568 3.715 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC[NH+]1CCCCCC1 ZINC001359235951 1067840458 /nfs/dbraw/zinc/84/04/58/1067840458.db2.gz UJJMGLNMJWBUJX-UHFFFAOYSA-N 1 0 390.535 3.992 20 30 GHEDRO C=CCN(c1nnc(-c2cnccn2)n1CCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001359249871 1067897908 /nfs/dbraw/zinc/89/79/08/1067897908.db2.gz SSJWIEPVUMZSDO-UHFFFAOYSA-N 1 0 395.555 3.545 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C)[NH+](C)C ZINC001359267324 1067930363 /nfs/dbraw/zinc/93/03/63/1067930363.db2.gz CDQQCGVADUBLGW-SFHVURJKSA-N 1 0 390.535 3.930 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359269992 1067935846 /nfs/dbraw/zinc/93/58/46/1067935846.db2.gz XELBMNJVKZJLNV-UHFFFAOYSA-N 1 0 382.556 3.584 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CCC(C#N)CC1)C(C)C ZINC001360128719 1068376486 /nfs/dbraw/zinc/37/64/86/1068376486.db2.gz MFKLNLBMLUVMAM-UHFFFAOYSA-N 1 0 398.530 3.943 20 30 GHEDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)C ZINC001460833296 1069207994 /nfs/dbraw/zinc/20/79/94/1069207994.db2.gz FXOAZJSJPZMJLZ-RHSMWYFYSA-N 1 0 391.537 3.587 20 30 GHEDRO C=C(Br)CN1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460880848 1069249142 /nfs/dbraw/zinc/24/91/42/1069249142.db2.gz RCHRQRZSLAKPKR-CQSZACIVSA-N 1 0 375.104 3.641 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001470490440 1072587835 /nfs/dbraw/zinc/58/78/35/1072587835.db2.gz ICCQDWBAPYWWAA-VXNXHJTFSA-N 1 0 389.543 3.947 20 30 GHEDRO C#Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c1 ZINC001470511702 1072601403 /nfs/dbraw/zinc/60/14/03/1072601403.db2.gz RAFFUVMIHGINEJ-SLFFLAALSA-N 1 0 375.516 3.861 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001471037424 1072896754 /nfs/dbraw/zinc/89/67/54/1072896754.db2.gz WCPITVQLDLOYLX-GHASCFNCSA-N 1 0 379.331 3.873 20 30 GHEDRO CC1(C)CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001478828005 1078997681 /nfs/dbraw/zinc/99/76/81/1078997681.db2.gz BLJIAEGZBPLZMU-OAQYLSRUSA-N 1 0 382.552 3.992 20 30 GHEDRO N#Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1Br ZINC001472088433 1073330329 /nfs/dbraw/zinc/33/03/29/1073330329.db2.gz RHFOGHBFEULHOF-ZDUSSCGKSA-N 1 0 376.298 3.914 20 30 GHEDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC001472331688 1073427705 /nfs/dbraw/zinc/42/77/05/1073427705.db2.gz WEFQZMVMCPHILY-RDJZCZTQSA-N 1 0 390.325 3.656 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(C)c(C#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001472543707 1073541330 /nfs/dbraw/zinc/54/13/30/1073541330.db2.gz PQNUCNISUPSMRQ-UHFFFAOYSA-N 1 0 376.504 3.958 20 30 GHEDRO CC(C)Cc1ccc([C@@H](NC(=O)NCC#CC[NH+](C)C)c2cccs2)cc1 ZINC001479171638 1079133360 /nfs/dbraw/zinc/13/33/60/1079133360.db2.gz DYBAQLWGKVDXBZ-OAQYLSRUSA-N 1 0 383.561 3.900 20 30 GHEDRO N#Cc1cnc(N2CCC(CCC[NH+]3CCCC3)CC2)c(Br)c1 ZINC001472738409 1073643981 /nfs/dbraw/zinc/64/39/81/1073643981.db2.gz OQDRXVQUBRQIBA-UHFFFAOYSA-N 1 0 377.330 3.808 20 30 GHEDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001472741939 1073645921 /nfs/dbraw/zinc/64/59/21/1073645921.db2.gz NLWHHAYBYICBRK-QGZVFWFLSA-N 1 0 379.464 3.540 20 30 GHEDRO CCc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c(C#N)c1CC ZINC001472821352 1073680956 /nfs/dbraw/zinc/68/09/56/1073680956.db2.gz GOCUYOYIMHJTID-INIZCTEOSA-N 1 0 383.565 3.801 20 30 GHEDRO C#CC[N@@H+](C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCc2ccccc21 ZINC001473122195 1073790450 /nfs/dbraw/zinc/79/04/50/1073790450.db2.gz SOBCLMZYNANDSB-TZIWHRDSSA-N 1 0 396.531 3.778 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](c2ccccc2)C2CCCC2)c1 ZINC001473247316 1073886894 /nfs/dbraw/zinc/88/68/94/1073886894.db2.gz NBBHEPQRSOLICD-JOCHJYFZSA-N 1 0 375.472 3.837 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)C1=O ZINC001473325854 1073921250 /nfs/dbraw/zinc/92/12/50/1073921250.db2.gz ZFYMJGSWDXXRLV-GOTSBHOMSA-N 1 0 378.516 3.972 20 30 GHEDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C(C)C ZINC001473411393 1073954003 /nfs/dbraw/zinc/95/40/03/1073954003.db2.gz YXENOAPWJWHHBY-JOCHJYFZSA-N 1 0 387.524 3.508 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H](N(CC[NH+]3CCCCCC3)C3CCC3)C2=O)cc1 ZINC001473518279 1073998524 /nfs/dbraw/zinc/99/85/24/1073998524.db2.gz BZGBUHAQCVMLTH-QHCPKHFHSA-N 1 0 394.563 3.784 20 30 GHEDRO O=C(C[N@@H+]1CC[C@@H](C2CCCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001473566782 1074020180 /nfs/dbraw/zinc/02/01/80/1074020180.db2.gz DGXUCNFPJMLRDC-GOSISDBHSA-N 1 0 378.438 3.685 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC001473585983 1074032606 /nfs/dbraw/zinc/03/26/06/1074032606.db2.gz RTVQJXMXOXBMND-FCHUYYIVSA-N 1 0 392.499 3.994 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)cc1Cl ZINC001473701190 1074095207 /nfs/dbraw/zinc/09/52/07/1074095207.db2.gz CYZAQGXEYFYKKY-CTNGQTDRSA-N 1 0 383.879 3.738 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)cc1Cl ZINC001473701193 1074095409 /nfs/dbraw/zinc/09/54/09/1074095409.db2.gz CYZAQGXEYFYKKY-TZIWHRDSSA-N 1 0 383.879 3.738 20 30 GHEDRO C#CC[N@@H+](CCc1c(F)cccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473796905 1074146302 /nfs/dbraw/zinc/14/63/02/1074146302.db2.gz KLGOEYSGCVNVKP-UHFFFAOYSA-N 1 0 378.463 3.842 20 30 GHEDRO C#C[C@@H]1CCCC[N@H+]1CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001473868179 1074182275 /nfs/dbraw/zinc/18/22/75/1074182275.db2.gz KZABRIHWFNWJND-GGAORHGYSA-N 1 0 396.556 3.892 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC001473871056 1074184136 /nfs/dbraw/zinc/18/41/36/1074184136.db2.gz PPEUKYSHLNUWQZ-CQSZACIVSA-N 1 0 385.899 3.888 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC001474035313 1074243544 /nfs/dbraw/zinc/24/35/44/1074243544.db2.gz RMESNDOIXNCAJN-UHFFFAOYSA-N 1 0 393.487 3.846 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)ccc1OC ZINC001474181496 1074285493 /nfs/dbraw/zinc/28/54/93/1074285493.db2.gz IHYWOXANPPYDMJ-IBGZPJMESA-N 1 0 384.451 3.684 20 30 GHEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC001474460556 1074415949 /nfs/dbraw/zinc/41/59/49/1074415949.db2.gz ZXIDQCZWFFCVEN-RLCCDNCMSA-N 1 0 388.817 3.846 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC001474517182 1074444858 /nfs/dbraw/zinc/44/48/58/1074444858.db2.gz PYSFQYFIRXXADP-FQEVSTJZSA-N 1 0 378.476 3.577 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001474603413 1074479652 /nfs/dbraw/zinc/47/96/52/1074479652.db2.gz JFQKMJRGDPEYNQ-ZWKOTPCHSA-N 1 0 383.875 3.741 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001493804123 1079297929 /nfs/dbraw/zinc/29/79/29/1079297929.db2.gz CTFVKGDEKJOIRS-IAGOWNOFSA-N 1 0 384.503 3.554 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001493908636 1079307475 /nfs/dbraw/zinc/30/74/75/1079307475.db2.gz NISKLHXBKZCMBB-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC001476142150 1075093568 /nfs/dbraw/zinc/09/35/68/1075093568.db2.gz VICNDHYEDHDUBV-DQLDELGASA-N 1 0 376.460 3.812 20 30 GHEDRO CCC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCC1 ZINC001500008098 1079566286 /nfs/dbraw/zinc/56/62/86/1079566286.db2.gz PEKGCAXNAUSKMM-SFHVURJKSA-N 1 0 380.540 3.785 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001648155125 1126250140 /nfs/dbraw/zinc/25/01/40/1126250140.db2.gz GLKYMIBHXYZMSL-WMZOPIPTSA-N 1 0 398.812 3.866 20 30 GHEDRO CC1CC[NH+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)CC1 ZINC000736798001 600591908 /nfs/dbraw/zinc/59/19/08/600591908.db2.gz PMANPHCYRAUWGM-QFIPXVFZSA-N 1 0 377.488 3.706 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000819745950 606484602 /nfs/dbraw/zinc/48/46/02/606484602.db2.gz WGCCPTXTIDXTRC-UHFFFAOYSA-N 1 0 396.401 3.528 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(c1ccc(C[NH+]3CCCC3)cn1)[C@H]2CC ZINC001164698593 719823366 /nfs/dbraw/zinc/82/33/66/719823366.db2.gz FGDROXYAOPLUCW-NZQKXSOJSA-N 1 0 382.552 3.603 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164725328 720478651 /nfs/dbraw/zinc/47/86/51/720478651.db2.gz JOZSJZISEVZPCG-RTWAWAEBSA-N 1 0 387.531 3.815 20 30 GHEDRO Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1CC#N ZINC001164839761 720717537 /nfs/dbraw/zinc/71/75/37/720717537.db2.gz MUIKIVJZZSGGRP-JOCHJYFZSA-N 1 0 390.531 3.716 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164897033 721515410 /nfs/dbraw/zinc/51/54/10/721515410.db2.gz DKFJWMZCAOZNMC-AZUAARDMSA-N 1 0 380.467 3.558 20 30 GHEDRO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1CC#N ZINC001164913107 721726755 /nfs/dbraw/zinc/72/67/55/721726755.db2.gz SXXRKVMCAXATCQ-NRFANRHFSA-N 1 0 397.473 3.589 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000580604132 837385714 /nfs/dbraw/zinc/38/57/14/837385714.db2.gz KWCLLQXBAVADJN-QGZVFWFLSA-N 1 0 379.426 3.848 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452076671 837444413 /nfs/dbraw/zinc/44/44/13/837444413.db2.gz ZDZMNPIQQIDTBA-AYBZRNKSSA-N 1 0 388.556 3.756 20 30 GHEDRO COC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000452075171 837471820 /nfs/dbraw/zinc/47/18/20/837471820.db2.gz ARSNDRHBYBQKKK-IBGZPJMESA-N 1 0 394.519 3.653 20 30 GHEDRO COC1CC[NH+](C2(CNc3c(C#N)cnc4c(C)cccc43)CCCC2)CC1 ZINC000610277252 837510269 /nfs/dbraw/zinc/51/02/69/837510269.db2.gz IZKMKVTWAHUDLQ-UHFFFAOYSA-N 1 0 378.520 3.672 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000511471351 837511826 /nfs/dbraw/zinc/51/18/26/837511826.db2.gz BADSBYQEIGWEQR-GOSISDBHSA-N 1 0 379.479 3.702 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000613300933 837553383 /nfs/dbraw/zinc/55/33/83/837553383.db2.gz CDUQEBKVDKHHBE-LJQANCHMSA-N 1 0 378.476 3.601 20 30 GHEDRO CCC[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000173218120 837587375 /nfs/dbraw/zinc/58/73/75/837587375.db2.gz HHOFHZPKBLZARD-UHFFFAOYSA-N 1 0 392.528 3.739 20 30 GHEDRO COC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c(C#N)n1 ZINC000581968826 837757617 /nfs/dbraw/zinc/75/76/17/837757617.db2.gz AWFLMNMCOKGJLV-MRXNPFEDSA-N 1 0 378.476 3.726 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)c(OC)c1 ZINC000245410226 834577004 /nfs/dbraw/zinc/57/70/04/834577004.db2.gz PYXBKRFUPRUXST-TZIWHRDSSA-N 1 0 384.520 3.729 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC(c4cc(F)cc(F)c4)C3)C2=O)cc1 ZINC000583591329 834711332 /nfs/dbraw/zinc/71/13/32/834711332.db2.gz KSFKWMGVXRIYNH-VFIGECHUSA-N 1 0 381.426 3.868 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000329278704 834730799 /nfs/dbraw/zinc/73/07/99/834730799.db2.gz DBPVIRYXMGHUIJ-HDYDNRTBSA-N 1 0 377.573 3.882 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000430174914 834760142 /nfs/dbraw/zinc/76/01/42/834760142.db2.gz AQQXCWUJYBUPQF-OAQYLSRUSA-N 1 0 386.455 3.581 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1C ZINC000728571690 834793696 /nfs/dbraw/zinc/79/36/96/834793696.db2.gz JPIVBLALIVOCNP-GOSISDBHSA-N 1 0 386.455 3.673 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c2ccccc21 ZINC000157292558 834806760 /nfs/dbraw/zinc/80/67/60/834806760.db2.gz ZQGJLGHSNDPLBB-LJQANCHMSA-N 1 0 378.520 3.688 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000064805562 835009895 /nfs/dbraw/zinc/00/98/95/835009895.db2.gz VHCWNZYIVHOUJV-QFIPXVFZSA-N 1 0 385.508 3.604 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000611938135 835084224 /nfs/dbraw/zinc/08/42/24/835084224.db2.gz KQKPIYLATXRWHF-LJQANCHMSA-N 1 0 382.533 3.765 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000685548531 835153807 /nfs/dbraw/zinc/15/38/07/835153807.db2.gz KQMHHOGZUVZCOY-GOSISDBHSA-N 1 0 393.560 3.827 20 30 GHEDRO C=CCC[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000158070649 835184028 /nfs/dbraw/zinc/18/40/28/835184028.db2.gz GREMJLXWPQGSLZ-JOCHJYFZSA-N 1 0 384.568 3.552 20 30 GHEDRO C#CCOc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001266289240 835186628 /nfs/dbraw/zinc/18/66/28/835186628.db2.gz HVRWNLYDXYZVJC-CTNGQTDRSA-N 1 0 376.500 3.729 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C12CCCCC2 ZINC000610216768 835193747 /nfs/dbraw/zinc/19/37/47/835193747.db2.gz RUJXTNOITFKHDM-BAGYTPMASA-N 1 0 386.536 3.552 20 30 GHEDRO COCCOc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000583896114 835219984 /nfs/dbraw/zinc/21/99/84/835219984.db2.gz LNMNVABOONTPLI-UHFFFAOYSA-N 1 0 393.487 3.822 20 30 GHEDRO Clc1ccccc1-c1nnc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)o1 ZINC000131549617 835221018 /nfs/dbraw/zinc/22/10/18/835221018.db2.gz CUSIKRMDLRBVFM-LPYMAVHISA-N 1 0 398.850 3.777 20 30 GHEDRO CCN(C(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000022850767 835325120 /nfs/dbraw/zinc/32/51/20/835325120.db2.gz NVDXLZGULURNPA-FQEVSTJZSA-N 1 0 390.531 3.508 20 30 GHEDRO Cc1nc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)ccc1C#N ZINC000584037530 835483748 /nfs/dbraw/zinc/48/37/48/835483748.db2.gz FLDOWAVIKSRXKO-UHFFFAOYSA-N 1 0 384.867 3.640 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CCC[N@@H+](C(C)(C)C)CC2)c1=S ZINC000748083017 835523791 /nfs/dbraw/zinc/52/37/91/835523791.db2.gz PCWBQMLWXVYCOL-UHFFFAOYSA-N 1 0 399.608 3.955 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000500846329 844064023 /nfs/dbraw/zinc/06/40/23/844064023.db2.gz ZMQVZBUWNYUSNM-DYESRHJHSA-N 1 0 379.529 3.743 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCCc1ccccc1 ZINC000052802912 835575471 /nfs/dbraw/zinc/57/54/71/835575471.db2.gz SSWGETGMSWTHNG-IBGZPJMESA-N 1 0 379.504 3.895 20 30 GHEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1cccc(F)c1 ZINC000278625995 835576086 /nfs/dbraw/zinc/57/60/86/835576086.db2.gz KCSDHSZXJIZSJI-MRXNPFEDSA-N 1 0 379.439 3.555 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508811029 844069006 /nfs/dbraw/zinc/06/90/06/844069006.db2.gz RAZBJSJNOGVDRA-NRFANRHFSA-N 1 0 379.552 3.704 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000179380892 835657226 /nfs/dbraw/zinc/65/72/26/835657226.db2.gz BBKPFVWQWJKUIJ-UHFFFAOYSA-N 1 0 381.455 3.863 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000179402982 835667905 /nfs/dbraw/zinc/66/79/05/835667905.db2.gz QOWAYRIWTSMXNV-UHFFFAOYSA-N 1 0 385.515 3.511 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000134138330 835692754 /nfs/dbraw/zinc/69/27/54/835692754.db2.gz VCGAFTSYSCCIID-SFHVURJKSA-O 1 0 387.500 3.519 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H](C)C2CC2)cc1 ZINC000052866949 835748987 /nfs/dbraw/zinc/74/89/87/835748987.db2.gz BJVGNLHFSXACLJ-UWJYYQICSA-N 1 0 380.488 3.607 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccs1 ZINC000102749658 835851944 /nfs/dbraw/zinc/85/19/44/835851944.db2.gz XXBCXRISJQZFPD-GOSISDBHSA-N 1 0 395.484 3.824 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134778640 835964427 /nfs/dbraw/zinc/96/44/27/835964427.db2.gz XXHNFLGQCGQHIZ-DLVCFXQMSA-N 1 0 381.451 3.612 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187196246 836104146 /nfs/dbraw/zinc/10/41/46/836104146.db2.gz WOCMGOIOFOBVHX-GAJHUEQPSA-N 1 0 395.503 3.533 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000120736863 836183975 /nfs/dbraw/zinc/18/39/75/836183975.db2.gz YBQXORADPQVFFW-UWJYYQICSA-N 1 0 380.488 3.739 20 30 GHEDRO Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(-c2ccc(C#N)cc2)n1 ZINC000548928126 836193527 /nfs/dbraw/zinc/19/35/27/836193527.db2.gz PKTWPAMVHVJANZ-UHFFFAOYSA-N 1 0 375.432 3.541 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000017741325 836242728 /nfs/dbraw/zinc/24/27/28/836242728.db2.gz KYTHSESTIDICID-VQIMIIECSA-N 1 0 379.485 3.745 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCC2CC2)cc1 ZINC000065930206 836253589 /nfs/dbraw/zinc/25/35/89/836253589.db2.gz SEDFKLGSWKNZDN-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000613383746 836263410 /nfs/dbraw/zinc/26/34/10/836263410.db2.gz GXHJITCPWWETMS-VXKWHMMOSA-N 1 0 381.516 3.871 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000092667667 844149614 /nfs/dbraw/zinc/14/96/14/844149614.db2.gz QPWLKKJIIQDXHR-UHFFFAOYSA-N 1 0 394.515 3.788 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C ZINC000612503227 836325020 /nfs/dbraw/zinc/32/50/20/836325020.db2.gz RGWIBOPICNJJPG-STQMWFEESA-N 1 0 385.537 3.608 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2)ccc1OC ZINC000177332005 836346066 /nfs/dbraw/zinc/34/60/66/836346066.db2.gz RSBDTTXFOGPLMR-VQIMIIECSA-N 1 0 381.476 3.883 20 30 GHEDRO CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001167129981 836500939 /nfs/dbraw/zinc/50/09/39/836500939.db2.gz CHWGEZMFSZQAMK-QGZVFWFLSA-N 1 0 378.476 3.906 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccn3C)CCO[C@@H]2C1 ZINC001209444310 836574880 /nfs/dbraw/zinc/57/48/80/836574880.db2.gz OZVJDSCGRMLMLH-IFMALSPDSA-N 1 0 387.568 3.715 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN(CC(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000468509633 836616101 /nfs/dbraw/zinc/61/61/01/836616101.db2.gz HFLCXKVPWWRLJX-SFHVURJKSA-N 1 0 384.442 3.940 20 30 GHEDRO COc1cccc(C2([NH2+]CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)c1 ZINC000510178423 836642189 /nfs/dbraw/zinc/64/21/89/836642189.db2.gz YDOCETKNZMLCSU-UHFFFAOYSA-N 1 0 377.488 3.838 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1OCCCC#N ZINC000147155279 844187795 /nfs/dbraw/zinc/18/77/95/844187795.db2.gz NHQRHARESXDEDE-UHFFFAOYSA-N 1 0 390.487 3.912 20 30 GHEDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000180218724 836722942 /nfs/dbraw/zinc/72/29/42/836722942.db2.gz VZHPONFOGXCOKP-HXUWFJFHSA-N 1 0 395.457 3.629 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176126646 844206065 /nfs/dbraw/zinc/20/60/65/844206065.db2.gz PIIDDYMGHVPGFJ-XMSQKQJNSA-N 1 0 393.556 3.961 20 30 GHEDRO Cn1cc(C[NH2+]CCc2nc(C(F)(F)F)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000180268733 836913455 /nfs/dbraw/zinc/91/34/55/836913455.db2.gz GJGZDJPYULFCJP-UHFFFAOYSA-N 1 0 391.422 3.766 20 30 GHEDRO Cc1cc(Br)c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(C#N)c1 ZINC000892599845 836934877 /nfs/dbraw/zinc/93/48/77/836934877.db2.gz BYZXBPSSNGELFB-AWEZNQCLSA-N 1 0 378.314 3.542 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 ZINC000027325274 837043318 /nfs/dbraw/zinc/04/33/18/837043318.db2.gz HWLNEIMWWKVPLC-UHFFFAOYSA-O 1 0 392.495 3.647 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(C)cc1 ZINC000027323770 837043453 /nfs/dbraw/zinc/04/34/53/837043453.db2.gz VERFHNDVKIZAKC-UHFFFAOYSA-O 1 0 387.525 3.628 20 30 GHEDRO C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000658979066 837093631 /nfs/dbraw/zinc/09/36/31/837093631.db2.gz MQGRFTPGMSXHOS-UHFFFAOYSA-N 1 0 389.565 3.674 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000188623864 837194130 /nfs/dbraw/zinc/19/41/30/837194130.db2.gz FOOOEFLGVLYVTP-AZUAARDMSA-N 1 0 395.469 3.596 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1OC ZINC000580004821 837197825 /nfs/dbraw/zinc/19/78/25/837197825.db2.gz HSKSTJJJUAHGST-UHFFFAOYSA-N 1 0 379.504 3.592 20 30 GHEDRO N#Cc1cncc(Nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)c1 ZINC001210086007 837240792 /nfs/dbraw/zinc/24/07/92/837240792.db2.gz OTMHUOPBPRQTLH-UHFFFAOYSA-N 1 0 389.503 3.787 20 30 GHEDRO C=CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H](C)COC ZINC000664122382 844251276 /nfs/dbraw/zinc/25/12/76/844251276.db2.gz RPHWRUPFMBWLDN-MAUKXSAKSA-N 1 0 399.457 3.512 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000511442348 837346221 /nfs/dbraw/zinc/34/62/21/837346221.db2.gz SVIUFEKBOPUXNB-FQEVSTJZSA-N 1 0 379.907 3.961 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)ccc1Cl ZINC000613179162 837371190 /nfs/dbraw/zinc/37/11/90/837371190.db2.gz MEQPYDKSTVKZLY-LJQANCHMSA-N 1 0 396.922 3.855 20 30 GHEDRO C[C@H]1C[NH+](CCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000181206252 837853415 /nfs/dbraw/zinc/85/34/15/837853415.db2.gz IZNRXCFALANAAO-ROUUACIJSA-N 1 0 393.487 3.580 20 30 GHEDRO C=CCn1c2ccccc2nc1SCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000510974845 844267287 /nfs/dbraw/zinc/26/72/87/844267287.db2.gz HPKMMCUKBZYNMN-HXUWFJFHSA-N 1 0 394.544 3.734 20 30 GHEDRO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c(C#N)c1C ZINC000177263227 837899629 /nfs/dbraw/zinc/89/96/29/837899629.db2.gz NKJQIGPFSSRXAL-SFHVURJKSA-N 1 0 382.533 3.776 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000728711548 837906614 /nfs/dbraw/zinc/90/66/14/837906614.db2.gz DYHAMQWEYXAOFK-SCLBCKFNSA-N 1 0 380.366 3.699 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000048977849 837932541 /nfs/dbraw/zinc/93/25/41/837932541.db2.gz LKKAHDSIDDNAOH-FQEVSTJZSA-N 1 0 382.895 3.848 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C#N)c1C ZINC000118834348 837998410 /nfs/dbraw/zinc/99/84/10/837998410.db2.gz IUEQQQQLKHKGGA-PKOBYXMFSA-N 1 0 386.540 3.683 20 30 GHEDRO C=CCc1cc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc(OC)c1OC ZINC000659253206 838019167 /nfs/dbraw/zinc/01/91/67/838019167.db2.gz NVOVUCMLMKGNAV-HXUWFJFHSA-N 1 0 394.515 3.741 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415802069 838127918 /nfs/dbraw/zinc/12/79/18/838127918.db2.gz HMKPQQKTFDYJMF-CQSZACIVSA-N 1 0 382.302 3.668 20 30 GHEDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728264738 838231461 /nfs/dbraw/zinc/23/14/61/838231461.db2.gz FXRZRYVOMFJXFL-QFIPXVFZSA-N 1 0 398.510 3.970 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000415913387 838262502 /nfs/dbraw/zinc/26/25/02/838262502.db2.gz BEYIUGHGKNVBGI-UHFFFAOYSA-N 1 0 393.491 3.574 20 30 GHEDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000659310829 838269929 /nfs/dbraw/zinc/26/99/29/838269929.db2.gz DNVCVCJUNNXZNI-CYBMUJFWSA-N 1 0 386.311 3.787 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178250160 838298546 /nfs/dbraw/zinc/29/85/46/838298546.db2.gz ULNBNSPUUXVQQW-KDURUIRLSA-N 1 0 386.536 3.603 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)CC1 ZINC000378049265 838341419 /nfs/dbraw/zinc/34/14/19/838341419.db2.gz FWWHSCPEAJBJOM-SFHVURJKSA-N 1 0 387.528 3.614 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000187822321 838352589 /nfs/dbraw/zinc/35/25/89/838352589.db2.gz SLHZXEHZFBXBIR-UHFFFAOYSA-N 1 0 379.479 3.610 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610320266 838405259 /nfs/dbraw/zinc/40/52/59/838405259.db2.gz UZVHKGDJAIFDLF-KRWDZBQOSA-N 1 0 379.464 3.551 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000178577190 838408674 /nfs/dbraw/zinc/40/86/74/838408674.db2.gz JGLSATPGICJAKD-IRXDYDNUSA-N 1 0 392.503 3.798 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)CCCCC1 ZINC000175855358 838540354 /nfs/dbraw/zinc/54/03/54/838540354.db2.gz KIFDNBIXQUZCRF-ZWKOTPCHSA-N 1 0 389.565 3.759 20 30 GHEDRO CN(C(=O)c1ccc(COc2ccccc2C#N)o1)C(C)(C)C[NH+]1CCCC1 ZINC000416098363 838540789 /nfs/dbraw/zinc/54/07/89/838540789.db2.gz GYBLETXASRJMGL-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1F ZINC000613598465 838564384 /nfs/dbraw/zinc/56/43/84/838564384.db2.gz JQAPJDNBJZBWGB-HNNXBMFYSA-N 1 0 398.482 3.572 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)CC1 ZINC000134106221 838565366 /nfs/dbraw/zinc/56/53/66/838565366.db2.gz LNQVZUGMWLOUPA-ZDUSSCGKSA-N 1 0 393.409 3.542 20 30 GHEDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000472639760 838569607 /nfs/dbraw/zinc/56/96/07/838569607.db2.gz DKIIHBFDEWVDCE-HNNXBMFYSA-N 1 0 389.565 3.843 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(C#N)c1 ZINC000610352704 838640508 /nfs/dbraw/zinc/64/05/08/838640508.db2.gz MIQYXQZTURQRPQ-FUHWJXTLSA-N 1 0 382.533 3.892 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3CCC(C[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000610367522 838725971 /nfs/dbraw/zinc/72/59/71/838725971.db2.gz QJFVWDANKVIXPQ-UHFFFAOYSA-N 1 0 379.508 3.696 20 30 GHEDRO Cn1cc(Cl)cc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000120234939 838885000 /nfs/dbraw/zinc/88/50/00/838885000.db2.gz AFIJZALENMWAKH-UHFFFAOYSA-N 1 0 390.940 3.951 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000048159663 844385967 /nfs/dbraw/zinc/38/59/67/844385967.db2.gz XLMVGLXLJFLWFI-UHFFFAOYSA-N 1 0 392.503 3.520 20 30 GHEDRO C[NH+](C)CCOc1cc(CNc2c(C#N)cnc3c(Cl)cccc32)ccn1 ZINC000579467815 838978773 /nfs/dbraw/zinc/97/87/73/838978773.db2.gz MUIDLHDNKUGWSN-UHFFFAOYSA-N 1 0 381.867 3.707 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000579469076 838985194 /nfs/dbraw/zinc/98/51/94/838985194.db2.gz RUZOXMWRNUICGR-JXFKEZNVSA-N 1 0 394.519 3.758 20 30 GHEDRO N#CCc1ccc(OCc2ccccc2NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000048161918 844387450 /nfs/dbraw/zinc/38/74/50/844387450.db2.gz SQSMQLOJHQNEHT-UHFFFAOYSA-N 1 0 392.503 3.939 20 30 GHEDRO COc1ccc2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2c1 ZINC000431838980 839031692 /nfs/dbraw/zinc/03/16/92/839031692.db2.gz ASRBRHWELFUVAC-UHFFFAOYSA-N 1 0 387.483 3.924 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000415012613 839056521 /nfs/dbraw/zinc/05/65/21/839056521.db2.gz SVGDWCCDRKQLSH-VDGAXYAQSA-N 1 0 376.460 3.942 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccnc(C#N)c1 ZINC000579509548 839147072 /nfs/dbraw/zinc/14/70/72/839147072.db2.gz SIJVEIGGRHRXSD-QHCPKHFHSA-N 1 0 390.531 3.759 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccccc1Cl ZINC000064917282 839157768 /nfs/dbraw/zinc/15/77/68/839157768.db2.gz YLKBKFJNKLQTPX-UHFFFAOYSA-N 1 0 399.922 3.961 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000378460603 839162813 /nfs/dbraw/zinc/16/28/13/839162813.db2.gz IQWAWWSYBWRACM-UHFFFAOYSA-N 1 0 389.547 3.698 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415082989 839179700 /nfs/dbraw/zinc/17/97/00/839179700.db2.gz MOBVHHBAJXZRCN-IAGOWNOFSA-N 1 0 394.475 3.998 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c(OC)c1 ZINC000124747324 839182002 /nfs/dbraw/zinc/18/20/02/839182002.db2.gz JWELYZGFHVHEAK-IXDOHACOSA-N 1 0 387.442 3.874 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000178322196 839327358 /nfs/dbraw/zinc/32/73/58/839327358.db2.gz IROTVVKEYYIOQS-KRWDZBQOSA-N 1 0 387.524 3.952 20 30 GHEDRO CN1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000378599613 839404817 /nfs/dbraw/zinc/40/48/17/839404817.db2.gz XGJRJNRDYPFPPW-IRXDYDNUSA-N 1 0 378.879 3.560 20 30 GHEDRO CCC[C@H]1CN(C(=O)c2ccc(C#N)c(OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001266608636 839480012 /nfs/dbraw/zinc/48/00/12/839480012.db2.gz LKBOCGKYAPVXBC-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000122564502 839705166 /nfs/dbraw/zinc/70/51/66/839705166.db2.gz SLZCICZBEOZEGN-UHFFFAOYSA-N 1 0 390.409 3.607 20 30 GHEDRO COc1cccc([C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)N(C)C)c1 ZINC000580679845 840001236 /nfs/dbraw/zinc/00/12/36/840001236.db2.gz SBABPAKNZPXYQE-IBGZPJMESA-N 1 0 377.410 3.978 20 30 GHEDRO Cc1csc([C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000175847544 840134787 /nfs/dbraw/zinc/13/47/87/840134787.db2.gz HBTVQEBIXNOGOZ-LJQANCHMSA-N 1 0 397.548 3.548 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3cc(C#N)ccc3OC)CCN2C2CC2)c1 ZINC000549471885 840884174 /nfs/dbraw/zinc/88/41/74/840884174.db2.gz KXPSVHXMDYXEPL-GGAORHGYSA-N 1 0 377.488 3.643 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000660597609 840981120 /nfs/dbraw/zinc/98/11/20/840981120.db2.gz RSCHMXAHQROMCA-LJQANCHMSA-N 1 0 375.488 3.721 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549476456 841086983 /nfs/dbraw/zinc/08/69/83/841086983.db2.gz KGRRYPNIZMLCQY-QMIHWGKISA-N 1 0 397.485 3.642 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581338482 841112324 /nfs/dbraw/zinc/11/23/24/841112324.db2.gz FDUJAPCTZOVTMP-NRFANRHFSA-N 1 0 388.519 3.627 20 30 GHEDRO N#CCC[C@H](NC(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000417909425 841260868 /nfs/dbraw/zinc/26/08/68/841260868.db2.gz DTGLHBLYTSODRD-HJNYFJLDSA-N 1 0 394.494 3.863 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000933248634 841274836 /nfs/dbraw/zinc/27/48/36/841274836.db2.gz NYVYSLRVMCZQRU-QZTJIDSGSA-N 1 0 388.581 3.681 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)Nc1ccccc1 ZINC000684254934 841367184 /nfs/dbraw/zinc/36/71/84/841367184.db2.gz ASEDWBUEAKPTBR-KRWDZBQOSA-N 1 0 399.564 3.612 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)C1 ZINC000651692199 841376376 /nfs/dbraw/zinc/37/63/76/841376376.db2.gz XWLIDNOMSYVTLN-IEBWSBKVSA-N 1 0 376.566 3.783 20 30 GHEDRO CNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000027302696 841376760 /nfs/dbraw/zinc/37/67/60/841376760.db2.gz JROAHFIYZBTLKA-UHFFFAOYSA-O 1 0 391.516 3.732 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000661114855 841408707 /nfs/dbraw/zinc/40/87/07/841408707.db2.gz NIODYPKYMFVUGV-WBVHZDCISA-N 1 0 376.497 3.766 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000661117991 841420922 /nfs/dbraw/zinc/42/09/22/841420922.db2.gz VOJIDSIAOOTFDK-ZBFHGGJFSA-N 1 0 387.480 3.987 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000500103865 841442958 /nfs/dbraw/zinc/44/29/58/841442958.db2.gz FAKSWQVBTSQQEV-BVYCBKJFSA-N 1 0 376.504 3.994 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000329251640 861207816 /nfs/dbraw/zinc/20/78/16/861207816.db2.gz UZXPNJVIVILROQ-LXGFQCHUSA-N 1 0 389.584 3.738 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000329251639 861208068 /nfs/dbraw/zinc/20/80/68/861208068.db2.gz UZXPNJVIVILROQ-DNBYOKIBSA-N 1 0 389.584 3.738 20 30 GHEDRO N#CCCC[C@@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000418207239 841646921 /nfs/dbraw/zinc/64/69/21/841646921.db2.gz BKLPZBBOQURTGJ-QXIGDHTLSA-N 1 0 380.536 3.874 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000178053018 841654718 /nfs/dbraw/zinc/65/47/18/841654718.db2.gz FQRBJUIBULZLIX-UHFFFAOYSA-N 1 0 392.434 3.556 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000025664362 861224299 /nfs/dbraw/zinc/22/42/99/861224299.db2.gz QJHNKEODUGDHMO-MSOLQXFVSA-N 1 0 393.512 3.787 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000500225957 841678801 /nfs/dbraw/zinc/67/88/01/841678801.db2.gz NYAJEUAWESKGNT-UHFFFAOYSA-N 1 0 384.483 3.739 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000613783922 841681198 /nfs/dbraw/zinc/68/11/98/841681198.db2.gz AEDKZFIYTRHQKK-KRWDZBQOSA-N 1 0 377.492 3.583 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc4c(c3)CCCN4)CC2)c1 ZINC000593760223 861226498 /nfs/dbraw/zinc/22/64/98/861226498.db2.gz GJOFQEOLQSUAHK-UHFFFAOYSA-N 1 0 389.503 3.702 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)NCCCSC)[n+]1ccc(C)cc1 ZINC000027478920 841717333 /nfs/dbraw/zinc/71/73/33/841717333.db2.gz ZIEAEUPQTUPCFE-UHFFFAOYSA-O 1 0 389.566 3.573 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000109381785 841730086 /nfs/dbraw/zinc/73/00/86/841730086.db2.gz LXHCAQAWUVWBCW-HDICACEKSA-N 1 0 398.551 3.841 20 30 GHEDRO C=CC(C)(C)CC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000623593044 861231426 /nfs/dbraw/zinc/23/14/26/861231426.db2.gz QVJXGJPONKQJGR-CYBMUJFWSA-N 1 0 383.330 3.654 20 30 GHEDRO C[C@@H]1COCCN1C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000581615302 841788922 /nfs/dbraw/zinc/78/89/22/841788922.db2.gz BEUPXNOKYUUKSB-LJQANCHMSA-N 1 0 375.516 3.910 20 30 GHEDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000581615619 841790109 /nfs/dbraw/zinc/79/01/09/841790109.db2.gz MPHTUGPNPWQRSG-KRWDZBQOSA-N 1 0 393.306 3.950 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000303544391 842010440 /nfs/dbraw/zinc/01/04/40/842010440.db2.gz VCKPBPBSJLXPHE-UHFFFAOYSA-N 1 0 393.531 3.712 20 30 GHEDRO C=CCC1(O)CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000899591199 861261338 /nfs/dbraw/zinc/26/13/38/861261338.db2.gz QIBWZPVNHFMRKP-UHFFFAOYSA-N 1 0 378.516 3.862 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000161863224 861275867 /nfs/dbraw/zinc/27/58/67/861275867.db2.gz WGTWZTIUQQHEJO-NRFANRHFSA-N 1 0 391.515 3.845 20 30 GHEDRO N#Cc1cc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)ccc1Cl ZINC000561549399 842151339 /nfs/dbraw/zinc/15/13/39/842151339.db2.gz GVAMXTMTPRUQTC-UHFFFAOYSA-N 1 0 395.956 3.631 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000669033754 842169510 /nfs/dbraw/zinc/16/95/10/842169510.db2.gz YGOINWGOIMPLFY-AQNXPRMDSA-N 1 0 399.583 3.797 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cscc1C#N ZINC000570023964 842247484 /nfs/dbraw/zinc/24/74/84/842247484.db2.gz OFALUWCXLRUUCW-SFHVURJKSA-N 1 0 391.500 3.824 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000329329374 861289200 /nfs/dbraw/zinc/28/92/00/861289200.db2.gz VFZWMVBZSCODSG-RISCZKNCSA-N 1 0 382.291 3.540 20 30 GHEDRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)NCc3ccc(C#N)cc3)c(C)c2c1 ZINC000541653836 842321569 /nfs/dbraw/zinc/32/15/69/842321569.db2.gz YGYYKDJLYPAILP-OAHLLOKOSA-N 1 0 377.444 3.589 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000120312355 842322803 /nfs/dbraw/zinc/32/28/03/842322803.db2.gz GYQUNKYUDAHSPZ-IRXDYDNUSA-N 1 0 387.524 3.866 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)c1C ZINC000603869693 861300571 /nfs/dbraw/zinc/30/05/71/861300571.db2.gz YUBGSHUYOMSLAQ-UHFFFAOYSA-N 1 0 390.531 3.762 20 30 GHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC000278957584 842378055 /nfs/dbraw/zinc/37/80/55/842378055.db2.gz ZOGVLWRDWWFPHZ-SFHVURJKSA-N 1 0 389.499 3.551 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000247398226 842443008 /nfs/dbraw/zinc/44/30/08/842443008.db2.gz MLBMDPPJRUGGAV-PGRDOPGGSA-N 1 0 391.515 3.940 20 30 GHEDRO CCc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(-c2ccncc2)n1 ZINC000161945914 861320994 /nfs/dbraw/zinc/32/09/94/861320994.db2.gz YOYZLACIWRAFDW-UHFFFAOYSA-N 1 0 386.503 3.541 20 30 GHEDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)Nc1c(Cl)cccc1Cl ZINC000328852110 842639244 /nfs/dbraw/zinc/63/92/44/842639244.db2.gz WWYKXZJRAQBKJM-APHBMKBZSA-N 1 0 387.307 3.833 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)CC1 ZINC000107517658 842648789 /nfs/dbraw/zinc/64/87/89/842648789.db2.gz DFMGNAHCPUYSQO-UHFFFAOYSA-N 1 0 376.435 3.653 20 30 GHEDRO C=C(C)C[N@@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccc(CO)o1 ZINC000512160440 842694011 /nfs/dbraw/zinc/69/40/11/842694011.db2.gz AOLHXBDBINMMBE-UHFFFAOYSA-N 1 0 392.883 3.841 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000613964962 842749233 /nfs/dbraw/zinc/74/92/33/842749233.db2.gz MGWJLXPFVZKJDF-UFYCRDLUSA-N 1 0 395.572 3.719 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cnc1N1CCCC[C@H]1C ZINC000329377842 861350175 /nfs/dbraw/zinc/35/01/75/861350175.db2.gz MEXMVLNGBSJJPA-MOPGFXCFSA-N 1 0 385.556 3.732 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549639661 842866577 /nfs/dbraw/zinc/86/65/77/842866577.db2.gz PRWJZYSMOJWCIE-HXUWFJFHSA-N 1 0 397.542 3.896 20 30 GHEDRO Cc1sc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nc1C(C)C ZINC000279308549 842902246 /nfs/dbraw/zinc/90/22/46/842902246.db2.gz WJNKAVROSLLGKA-UHFFFAOYSA-N 1 0 384.549 3.580 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1cccc2ccccc21 ZINC000512200492 843065345 /nfs/dbraw/zinc/06/53/45/843065345.db2.gz FVCJXZUWWJGRCH-LJQANCHMSA-N 1 0 381.472 3.743 20 30 GHEDRO C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000610582570 843073303 /nfs/dbraw/zinc/07/33/03/843073303.db2.gz ACNFMHZYKPQLBI-FHLLLWTNSA-N 1 0 393.535 3.533 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3c[nH]cn3)CC1)CCCCC2 ZINC000610583333 843117941 /nfs/dbraw/zinc/11/79/41/843117941.db2.gz COQKHSZJVNODMU-UHFFFAOYSA-N 1 0 397.548 3.820 20 30 GHEDRO O=C(Nc1ccc2nc(C(F)F)sc2c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000329410834 861388250 /nfs/dbraw/zinc/38/82/50/861388250.db2.gz DBXPHONLBLJHST-UHFFFAOYSA-N 1 0 396.463 3.576 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CCC[NH2+]1 ZINC000662473185 843303122 /nfs/dbraw/zinc/30/31/22/843303122.db2.gz YNYRTOQULLLLST-HXOBKFHXSA-N 1 0 377.488 3.814 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC000599608473 861406080 /nfs/dbraw/zinc/40/60/80/861406080.db2.gz WJGNDXNDZOWCJX-PWSUYJOCSA-N 1 0 394.319 3.568 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCc3ccccc3C2)cc1 ZINC000512317523 843359184 /nfs/dbraw/zinc/35/91/84/843359184.db2.gz CMTGBMJJIYHZEL-QFIPXVFZSA-N 1 0 391.515 3.821 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)CCC[NH2+]1 ZINC000662518191 843383710 /nfs/dbraw/zinc/38/37/10/843383710.db2.gz AVBZROOMPHJGFS-QHCPKHFHSA-N 1 0 377.488 3.529 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000510740828 843389843 /nfs/dbraw/zinc/38/98/43/843389843.db2.gz XPXRYXDHPHAKPB-LJQANCHMSA-N 1 0 378.476 3.743 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000510748832 843399117 /nfs/dbraw/zinc/39/91/17/843399117.db2.gz KCXDUNWKDJSQAM-UHFFFAOYSA-N 1 0 378.476 3.527 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CCC[NH2+]1 ZINC000662581833 843420018 /nfs/dbraw/zinc/42/00/18/843420018.db2.gz WAWFKWGKSVAPPC-HXUWFJFHSA-N 1 0 375.900 3.603 20 30 GHEDRO C=CCN1C(=O)N(C[C@H](c2ccco2)[NH+](CC)CC)C(=O)[C@H]1Cc1ccccc1 ZINC000431015429 843426502 /nfs/dbraw/zinc/42/65/02/843426502.db2.gz URTJYCMKKXQFST-WOJBJXKFSA-N 1 0 395.503 3.724 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(c4cccs4)CC3)CC2)cc1 ZINC000181886296 843494460 /nfs/dbraw/zinc/49/44/60/843494460.db2.gz TWZVVESPVCMSHM-UHFFFAOYSA-N 1 0 380.561 3.843 20 30 GHEDRO N#CCC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000431052904 843502663 /nfs/dbraw/zinc/50/26/63/843502663.db2.gz JBTXBAIUIOXQCR-UHFFFAOYSA-N 1 0 394.441 3.617 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccccc2OC)[n+]2ccc(C)cc2)cn1 ZINC000171086865 861423778 /nfs/dbraw/zinc/42/37/78/861423778.db2.gz GIQZFLSSDWDULA-UHFFFAOYSA-O 1 0 395.508 3.558 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000610680941 843529460 /nfs/dbraw/zinc/52/94/60/843529460.db2.gz MOPMISGIVKVCIX-OAQYLSRUSA-N 1 0 380.463 3.811 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000544977254 843572694 /nfs/dbraw/zinc/57/26/94/843572694.db2.gz JOMIAZGTWCITAA-OAHLLOKOSA-N 1 0 378.432 3.689 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1F ZINC000512439201 843808007 /nfs/dbraw/zinc/80/80/07/843808007.db2.gz ORTTVXVCJJWCGN-OAHLLOKOSA-N 1 0 384.430 3.870 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512824574 843809942 /nfs/dbraw/zinc/80/99/42/843809942.db2.gz UWUCUQOFBOJSJL-SJLPKXTDSA-N 1 0 387.499 3.720 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](COC(F)F)C3)sc2C1 ZINC000512845500 843877825 /nfs/dbraw/zinc/87/78/25/843877825.db2.gz SYQABGSIYWQKME-STQMWFEESA-N 1 0 397.491 3.634 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1OC ZINC000512884534 843935348 /nfs/dbraw/zinc/93/53/48/843935348.db2.gz FTCGJSPFVHUUFR-DZGCQCFKSA-N 1 0 384.314 3.785 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4nc(Cc5ccccc5)oc4c3)[C@@H]2C1 ZINC000329461113 861476934 /nfs/dbraw/zinc/47/69/34/861476934.db2.gz SNWFAAURNFHDRU-FXAWDEMLSA-N 1 0 390.487 3.990 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000599651953 861478057 /nfs/dbraw/zinc/47/80/57/861478057.db2.gz JDWQXMJTRAVJLT-OMWUSAIZSA-N 1 0 398.304 3.725 20 30 GHEDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000512487375 843994812 /nfs/dbraw/zinc/99/48/12/843994812.db2.gz UJBCQGNGDYRBEY-XUZZJYLKSA-N 1 0 389.543 3.681 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000728926493 843997624 /nfs/dbraw/zinc/99/76/24/843997624.db2.gz OZSYHJHIEAGAEX-KRWDZBQOSA-N 1 0 384.549 3.525 20 30 GHEDRO Clc1ccc(-n2ccc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000588473872 844650170 /nfs/dbraw/zinc/65/01/70/844650170.db2.gz UULHJCVSJJRDBZ-UHFFFAOYSA-N 1 0 396.878 3.913 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)cc1 ZINC000610860904 844708782 /nfs/dbraw/zinc/70/87/82/844708782.db2.gz AMFSFAFNPUUELW-XZOQPEGZSA-N 1 0 378.516 3.980 20 30 GHEDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1cccc(Br)c1 ZINC000329471523 861494676 /nfs/dbraw/zinc/49/46/76/861494676.db2.gz ZOHIDROOWXTNPU-DJIMGWMZSA-N 1 0 379.298 3.974 20 30 GHEDRO Cc1cc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)ccc1C[NH+](C)C ZINC000458279653 844784711 /nfs/dbraw/zinc/78/47/11/844784711.db2.gz KHETXWAKEQPKEW-UHFFFAOYSA-N 1 0 392.503 3.722 20 30 GHEDRO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)cn1 ZINC000599701223 861508086 /nfs/dbraw/zinc/50/80/86/861508086.db2.gz SBGGPTLILSSJAP-OAQYLSRUSA-N 1 0 398.894 3.731 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000329484250 861518211 /nfs/dbraw/zinc/51/82/11/861518211.db2.gz SFKQREVSCUZXSH-FZMZJTMJSA-N 1 0 382.386 3.951 20 30 GHEDRO COC[C@@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCc2ccccc21 ZINC000599682450 861523593 /nfs/dbraw/zinc/52/35/93/861523593.db2.gz JMSOORLPVRKXPA-DNVCBOLYSA-N 1 0 383.517 3.973 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000500881647 845280277 /nfs/dbraw/zinc/28/02/77/845280277.db2.gz YOKQWGPEUHVKNC-LJQANCHMSA-N 1 0 393.535 3.542 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc1 ZINC000614235847 845370813 /nfs/dbraw/zinc/37/08/13/845370813.db2.gz KRKBHFZUQOUNHQ-IBGZPJMESA-N 1 0 387.487 3.649 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000611559903 845376773 /nfs/dbraw/zinc/37/67/73/845376773.db2.gz JIAPMZTYDNNWCG-TZIWHRDSSA-N 1 0 387.462 3.938 20 30 GHEDRO [NH2+]=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1cccc2c1CCCC2 ZINC000262480741 845401625 /nfs/dbraw/zinc/40/16/25/845401625.db2.gz RKUQGCVLIDLVSA-UHFFFAOYSA-N 1 0 376.504 3.615 20 30 GHEDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000614489094 845480409 /nfs/dbraw/zinc/48/04/09/845480409.db2.gz JKFWEQKCUOGQPY-HNNXBMFYSA-N 1 0 381.423 3.557 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000600315518 861586489 /nfs/dbraw/zinc/58/64/89/861586489.db2.gz UPTLVGIQDIVJBL-HXUWFJFHSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)c2ccsc2)cc1OC ZINC000472058873 845632963 /nfs/dbraw/zinc/63/29/63/845632963.db2.gz JEMUBDPVQGNAFA-OAHLLOKOSA-N 1 0 398.322 3.907 20 30 GHEDRO [NH2+]=C(NCc1cccc(OCC(F)(F)F)c1)Nc1ccc2c(c1)OCCCO2 ZINC000104163189 845808670 /nfs/dbraw/zinc/80/86/70/845808670.db2.gz CUMWMLUORVOTFY-UHFFFAOYSA-N 1 0 395.381 3.716 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000604036575 861612196 /nfs/dbraw/zinc/61/21/96/861612196.db2.gz UFBCHGLBRPRVLG-HDICACEKSA-N 1 0 397.544 3.515 20 30 GHEDRO C[NH+](C)C1(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CCCC1 ZINC000539180766 845932803 /nfs/dbraw/zinc/93/28/03/845932803.db2.gz KZZIGJZUDQZFCH-UHFFFAOYSA-N 1 0 376.504 3.899 20 30 GHEDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1Br ZINC000119716636 846028068 /nfs/dbraw/zinc/02/80/68/846028068.db2.gz QPAKSQDGUAALRH-UHFFFAOYSA-N 1 0 385.309 3.783 20 30 GHEDRO Cc1ccc(CO[C@@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000599752619 861632271 /nfs/dbraw/zinc/63/22/71/861632271.db2.gz SWUCGSHOTUBQSX-FQEVSTJZSA-N 1 0 391.515 3.575 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1 ZINC000421359649 846172567 /nfs/dbraw/zinc/17/25/67/846172567.db2.gz GNQJJHTXPMIPBK-UAPYVXQJSA-N 1 0 377.488 3.519 20 30 GHEDRO CC(C)(C(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1)c1cc(F)cc(C#N)c1 ZINC001168741910 861664784 /nfs/dbraw/zinc/66/47/84/861664784.db2.gz GWHLGGZGLFTURH-LJQANCHMSA-N 1 0 385.870 3.801 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000414546931 846489377 /nfs/dbraw/zinc/48/93/77/846489377.db2.gz YTUSXORHRFGUGA-HSZRJFAPSA-N 1 0 394.515 3.989 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)CC1 ZINC000421771827 846575601 /nfs/dbraw/zinc/57/56/01/846575601.db2.gz XYXSYBVODRVDEU-UHFFFAOYSA-N 1 0 396.510 3.579 20 30 GHEDRO COc1cc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599818625 861724673 /nfs/dbraw/zinc/72/46/73/861724673.db2.gz XHUZKONZJVWBQW-QGZVFWFLSA-N 1 0 396.466 3.740 20 30 GHEDRO COc1cc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599819758 861728324 /nfs/dbraw/zinc/72/83/24/861728324.db2.gz PTAMOVNFHHDGPO-SFHVURJKSA-N 1 0 396.466 3.834 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000329598249 861735574 /nfs/dbraw/zinc/73/55/74/861735574.db2.gz DBIGDSYXEFUFKH-HZPDHXFCSA-N 1 0 387.553 3.739 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC3(c4noc(C(F)F)n4)CCC3)CC2)cc1 ZINC000366533953 847018988 /nfs/dbraw/zinc/01/89/88/847018988.db2.gz JJHICTIHBVMVRB-UHFFFAOYSA-N 1 0 387.434 3.512 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431405163 847186894 /nfs/dbraw/zinc/18/68/94/847186894.db2.gz WJQVQFXEAHIPGF-VQIMIIECSA-N 1 0 378.476 3.741 20 30 GHEDRO CCOc1cc(C[NH2+]CCCC#N)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000273120917 847255637 /nfs/dbraw/zinc/25/56/37/847255637.db2.gz ZLIQHCGYDRYROM-UHFFFAOYSA-N 1 0 375.513 3.503 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329617792 861781647 /nfs/dbraw/zinc/78/16/47/861781647.db2.gz SSEJNBRHYANBCQ-NMLBUPMWSA-N 1 0 385.556 3.835 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511139814 847404615 /nfs/dbraw/zinc/40/46/15/847404615.db2.gz RJOLXRMQYPDPBH-UHFFFAOYSA-N 1 0 391.393 3.960 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000422215114 847473871 /nfs/dbraw/zinc/47/38/71/847473871.db2.gz HQCQOCHFUJFTFG-FUHWJXTLSA-N 1 0 382.533 3.814 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(OC)c1 ZINC000420948448 847570637 /nfs/dbraw/zinc/57/06/37/847570637.db2.gz NYPYSNJDBKRMLS-IRXDYDNUSA-N 1 0 387.442 3.828 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC(OC(C)(C)C)C1 ZINC000421019459 847641332 /nfs/dbraw/zinc/64/13/32/847641332.db2.gz YBJLZUHXZRBNOY-UHFFFAOYSA-N 1 0 375.538 3.715 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)[NH+]1CCCC1 ZINC000503497366 847749587 /nfs/dbraw/zinc/74/95/87/847749587.db2.gz FPYYIMZZLMZORI-LJQANCHMSA-N 1 0 383.879 3.787 20 30 GHEDRO CC[NH+]1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000481601999 861826742 /nfs/dbraw/zinc/82/67/42/861826742.db2.gz ZFZYFFVSUICLJD-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000503597438 847821975 /nfs/dbraw/zinc/82/19/75/847821975.db2.gz HSADNFGNOBDVCH-INIZCTEOSA-N 1 0 386.565 3.937 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N(C)CC2CC[NH+](C)CC2)c1Br ZINC000479986863 848008956 /nfs/dbraw/zinc/00/89/56/848008956.db2.gz HUBXVBPKHXXRHZ-UHFFFAOYSA-N 1 0 387.325 3.955 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000128109877 848072061 /nfs/dbraw/zinc/07/20/61/848072061.db2.gz JKSBSWFGUCIXOC-OAQYLSRUSA-N 1 0 389.499 3.695 20 30 GHEDRO CCc1ccc([C@@H](C#N)NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000582750540 848282415 /nfs/dbraw/zinc/28/24/15/848282415.db2.gz UXTKCBNZQUHVRZ-HSZRJFAPSA-N 1 0 390.531 3.532 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N2C(C)(C)CC([NH3+])CC2(C)C)n1 ZINC001167625015 848509517 /nfs/dbraw/zinc/50/95/17/848509517.db2.gz PNAWWLJVIYQWDX-IHPIMTRISA-N 1 0 378.586 3.756 20 30 GHEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(-c2ccccc2F)s1 ZINC000731930844 861974467 /nfs/dbraw/zinc/97/44/67/861974467.db2.gz OQSFNWFKEITNEB-UHFFFAOYSA-N 1 0 378.542 3.694 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000583230977 849381455 /nfs/dbraw/zinc/38/14/55/849381455.db2.gz GZFRSWINSYPEGT-ICSRJNTNSA-N 1 0 397.567 3.772 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccccc3OCC#N)c2)CC1 ZINC000171271714 862031121 /nfs/dbraw/zinc/03/11/21/862031121.db2.gz GKXJYNMTZZAMRQ-UHFFFAOYSA-N 1 0 377.488 3.751 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000685116905 849576886 /nfs/dbraw/zinc/57/68/86/849576886.db2.gz ZCWDZQPBLXTXPG-UHFFFAOYSA-N 1 0 387.915 3.996 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCc4cc(Br)ccc43)CC2)nc1 ZINC000161660296 849638852 /nfs/dbraw/zinc/63/88/52/849638852.db2.gz JYLGQALAPWKPGS-LJQANCHMSA-N 1 0 397.320 3.962 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H]([NH+](CC)CC)C2)c1=S ZINC000161662533 849674092 /nfs/dbraw/zinc/67/40/92/849674092.db2.gz NLKMJMSFYIUHKY-SFHVURJKSA-N 1 0 385.581 3.949 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000278225012 849733932 /nfs/dbraw/zinc/73/39/32/849733932.db2.gz JMKKRZHHEITLLO-LJQANCHMSA-N 1 0 385.533 3.876 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227264666 862062527 /nfs/dbraw/zinc/06/25/27/862062527.db2.gz SJXDKWPPWJEAJC-JQVVWYNYSA-N 1 0 385.552 3.836 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccc(C#N)cc1 ZINC000278253512 849894569 /nfs/dbraw/zinc/89/45/69/849894569.db2.gz MUOADKDHVKZQNP-NRFANRHFSA-N 1 0 385.533 3.627 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccc(C#N)cc1 ZINC000278253515 849894611 /nfs/dbraw/zinc/89/46/11/849894611.db2.gz MUOADKDHVKZQNP-OAQYLSRUSA-N 1 0 385.533 3.627 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000583441466 849909178 /nfs/dbraw/zinc/90/91/78/849909178.db2.gz IUXCPDUUHXIYFD-NRFANRHFSA-N 1 0 385.471 3.614 20 30 GHEDRO C#CC[C@@]1(C(=O)Nc2ccccc2CC[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC001269550814 850045677 /nfs/dbraw/zinc/04/56/77/850045677.db2.gz CZXUWYRHCSIPHC-QHCPKHFHSA-N 1 0 399.535 3.522 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)s1 ZINC000486880564 850203913 /nfs/dbraw/zinc/20/39/13/850203913.db2.gz DGEGMENDCYNYEE-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000424144654 850247697 /nfs/dbraw/zinc/24/76/97/850247697.db2.gz SQBUHHJWVRKTNI-LSDHHAIUSA-N 1 0 396.354 3.856 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000908676339 850280131 /nfs/dbraw/zinc/28/01/31/850280131.db2.gz AYQIISNWNKQETA-AZUAARDMSA-N 1 0 381.524 3.589 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000424231036 850301411 /nfs/dbraw/zinc/30/14/11/850301411.db2.gz ASPWOEYJOFGPDJ-TVFCKZIOSA-N 1 0 375.586 3.589 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000424239361 850306885 /nfs/dbraw/zinc/30/68/85/850306885.db2.gz HFRWEUBWPHMEPD-HXUWFJFHSA-N 1 0 397.592 3.787 20 30 GHEDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000481713454 862115902 /nfs/dbraw/zinc/11/59/02/862115902.db2.gz CXTCZKDACHFHNP-RTWAWAEBSA-N 1 0 378.472 3.768 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000424290728 850334386 /nfs/dbraw/zinc/33/43/86/850334386.db2.gz CADWFHYTYNSXDC-VJBMBRPKSA-N 1 0 399.556 3.977 20 30 GHEDRO C=CCn1cc(CN[C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)nn1 ZINC000424294359 850338477 /nfs/dbraw/zinc/33/84/77/850338477.db2.gz KSSHCNGPCSLGGL-JOCHJYFZSA-N 1 0 385.531 3.946 20 30 GHEDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000518988274 850435769 /nfs/dbraw/zinc/43/57/69/850435769.db2.gz XAYWAXMABLKLHU-UHFFFAOYSA-N 1 0 377.488 3.959 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000505011151 850521039 /nfs/dbraw/zinc/52/10/39/850521039.db2.gz QVMGUKPJXVCMMP-GMAHTHKFSA-N 1 0 393.531 3.810 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000515015716 850597198 /nfs/dbraw/zinc/59/71/98/850597198.db2.gz VLDAMNZKAQAAOG-HSZRJFAPSA-N 1 0 391.515 3.591 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481746358 862153391 /nfs/dbraw/zinc/15/33/91/862153391.db2.gz QLNLNTMCIWLVRR-KPZWWZAWSA-N 1 0 396.304 3.637 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2ccsc2[C@H]1C ZINC000909298320 850679938 /nfs/dbraw/zinc/67/99/38/850679938.db2.gz VKAGZJKXOVGTCQ-NXHRZFHOSA-N 1 0 399.564 3.575 20 30 GHEDRO C=CCC1(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424791818 850701125 /nfs/dbraw/zinc/70/11/25/850701125.db2.gz QVOYNYDOGMUAQG-UXHICEINSA-N 1 0 392.490 3.978 20 30 GHEDRO C=CCC1(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCOCC1 ZINC000424839671 850734314 /nfs/dbraw/zinc/73/43/14/850734314.db2.gz GDQKJUWFPOMZQM-UHFFFAOYSA-N 1 0 382.548 3.874 20 30 GHEDRO C=CCC(F)(F)C(=O)N1CCC2(CCC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001270000385 850754136 /nfs/dbraw/zinc/75/41/36/850754136.db2.gz CFJAQESPDBFMOW-UHFFFAOYSA-N 1 0 383.508 3.868 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c(-c2ccncc2)n1 ZINC000515249977 850815878 /nfs/dbraw/zinc/81/58/78/850815878.db2.gz UEDQCZNACDPWRT-FGZHOGPDSA-N 1 0 387.487 3.869 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000515268047 850844817 /nfs/dbraw/zinc/84/48/17/850844817.db2.gz LDEPBGDAQHPSPT-INIZCTEOSA-N 1 0 375.398 3.836 20 30 GHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)C3(c4ccc(C#N)cc4)CC3)sc2C1 ZINC000425046809 850889777 /nfs/dbraw/zinc/88/97/77/850889777.db2.gz URWOPOOUCOSSDE-UHFFFAOYSA-N 1 0 380.517 3.842 20 30 GHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000435929965 851003072 /nfs/dbraw/zinc/00/30/72/851003072.db2.gz VBWPKEOAPKVYHY-LJQANCHMSA-N 1 0 376.504 3.904 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000522619713 862196399 /nfs/dbraw/zinc/19/63/99/862196399.db2.gz XYNJWXDVYSHICN-INIZCTEOSA-N 1 0 378.476 3.914 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000425437111 851098759 /nfs/dbraw/zinc/09/87/59/851098759.db2.gz ZBQMUEWOHOLXMA-YLJYHZDGSA-N 1 0 380.492 3.999 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000614516839 851136124 /nfs/dbraw/zinc/13/61/24/851136124.db2.gz WGJFXNCDXYKQJJ-PIPMEXSNSA-N 1 0 377.463 3.728 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000514187856 851376892 /nfs/dbraw/zinc/37/68/92/851376892.db2.gz XDMXNQRZLGPEKJ-UHFFFAOYSA-N 1 0 384.411 3.561 20 30 GHEDRO Cc1oc(NC(=O)C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c(C#N)c1C ZINC000604521396 862241647 /nfs/dbraw/zinc/24/16/47/862241647.db2.gz HRLJWFQYNLLFCI-NQIIRXRSSA-N 1 0 381.476 3.806 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604521742 862244533 /nfs/dbraw/zinc/24/45/33/862244533.db2.gz WUGWBWPSSZLHRX-NQSCKRDGSA-N 1 0 377.488 3.985 20 30 GHEDRO C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000110843682 851461619 /nfs/dbraw/zinc/46/16/19/851461619.db2.gz QOLVVSQVVSHGQU-QHCPKHFHSA-N 1 0 393.556 3.880 20 30 GHEDRO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(C(=O)NCc3ccccc3)CC2)C1=O ZINC000329746873 862286267 /nfs/dbraw/zinc/28/62/67/862286267.db2.gz SASHLVLTLUAKMI-HXUWFJFHSA-N 1 0 385.552 3.892 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1C#N ZINC000466563936 862286432 /nfs/dbraw/zinc/28/64/32/862286432.db2.gz PXBZIBNYZDJXMP-UHFFFAOYSA-N 1 0 380.492 3.771 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000505829308 851924786 /nfs/dbraw/zinc/92/47/86/851924786.db2.gz DMFGJGJXWGJYOH-KDURUIRLSA-N 1 0 385.552 3.618 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)NC2(c3nc(C)cs3)CCC2)CC1 ZINC000329764851 862304786 /nfs/dbraw/zinc/30/47/86/862304786.db2.gz WGOZAOOBIPIRQF-UHFFFAOYSA-N 1 0 399.564 3.808 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccsc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000438093484 852012809 /nfs/dbraw/zinc/01/28/09/852012809.db2.gz DJQDASHIAAJFKK-HNNXBMFYSA-N 1 0 391.504 3.863 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c(C)c1 ZINC000329772136 862312269 /nfs/dbraw/zinc/31/22/69/862312269.db2.gz HFUYMSNJCUVWOV-IBGZPJMESA-N 1 0 392.503 3.942 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000129388573 852048468 /nfs/dbraw/zinc/04/84/68/852048468.db2.gz IGEFFNLOWFUMPM-UHFFFAOYSA-N 1 0 384.455 3.868 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)CC1 ZINC000912095974 852065904 /nfs/dbraw/zinc/06/59/04/852065904.db2.gz ZCIKYCPKZVHHLY-OAQYLSRUSA-N 1 0 382.891 3.705 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(C)(C)C[NH+](C)C ZINC000469505333 852092102 /nfs/dbraw/zinc/09/21/02/852092102.db2.gz RMVWMACZULMMLU-GFCCVEGCSA-N 1 0 386.418 3.597 20 30 GHEDRO CCn1c2ccccc2nc1[C@@H]1CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000329786791 862321274 /nfs/dbraw/zinc/32/12/74/862321274.db2.gz YEFKUNIZHJYZAJ-FQEVSTJZSA-N 1 0 383.540 3.634 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000438187348 852117899 /nfs/dbraw/zinc/11/78/99/852117899.db2.gz PUGNFWGYMOJQJV-UHFFFAOYSA-N 1 0 394.475 3.919 20 30 GHEDRO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000329803602 862332288 /nfs/dbraw/zinc/33/22/88/862332288.db2.gz LIKVWLIDCFDYFJ-PMPSAXMXSA-N 1 0 378.542 3.873 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000473839529 852228472 /nfs/dbraw/zinc/22/84/72/852228472.db2.gz KKWHEFJROYIATM-UHFFFAOYSA-N 1 0 394.519 3.715 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(N(C)C)CCC2)cc1OCC ZINC000438336094 852279195 /nfs/dbraw/zinc/27/91/95/852279195.db2.gz JEYAWSUBBJELGL-UHFFFAOYSA-N 1 0 397.357 3.987 20 30 GHEDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000329816362 862340916 /nfs/dbraw/zinc/34/09/16/862340916.db2.gz ODAUTEMYSNIQOC-LJQANCHMSA-N 1 0 399.583 3.540 20 30 GHEDRO CCOCCC[NH+]=C(NCCCc1cn(-c2ccccc2)nc1C)NC(C)(C)C ZINC000912499252 852308242 /nfs/dbraw/zinc/30/82/42/852308242.db2.gz OHESZFBMWRMEOU-UHFFFAOYSA-N 1 0 399.583 3.874 20 30 GHEDRO COc1ccc(-c2nnc(CNC(NCc3ccccc3)=[NH+]C(C)(C)C)[nH]2)cc1 ZINC000912499540 852308314 /nfs/dbraw/zinc/30/83/14/852308314.db2.gz QIHLPTPCOKGJPV-UHFFFAOYSA-N 1 0 392.507 3.514 20 30 GHEDRO COCc1ccc(CNC(NCCc2ccc(OC)cc2)=[NH+]C(C)(C)C)cc1 ZINC000912510088 852313978 /nfs/dbraw/zinc/31/39/78/852313978.db2.gz ZRYIAEWVJYRTJF-UHFFFAOYSA-N 1 0 383.536 3.918 20 30 GHEDRO Cc1sc(NC(=O)CN(C)C(C)(C)C[NH+]2CCCCCC2)c(C#N)c1C ZINC000426739499 852339542 /nfs/dbraw/zinc/33/95/42/852339542.db2.gz CUVPXPHEDVSJCF-UHFFFAOYSA-N 1 0 376.570 3.762 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)Cc3c[nH]c4ncccc34)CCCCC2)CCO1 ZINC000329840233 862364699 /nfs/dbraw/zinc/36/46/99/862364699.db2.gz WIWMADYBDOJFNT-UHFFFAOYSA-N 1 0 384.524 3.876 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)Nc3cnccc3-n3cccn3)o2)cc1 ZINC000505908817 852540903 /nfs/dbraw/zinc/54/09/03/852540903.db2.gz ABXWNMQKQRHWHO-UHFFFAOYSA-N 1 0 385.383 3.563 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)NCCc2ccc(F)cc2)C1 ZINC000329847532 862369687 /nfs/dbraw/zinc/36/96/87/862369687.db2.gz YPSFRIVTYLJVSD-RCOXNQKVSA-N 1 0 376.516 3.976 20 30 GHEDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000517893394 852585581 /nfs/dbraw/zinc/58/55/81/852585581.db2.gz JWEICWDLCDQCGE-FQEVSTJZSA-N 1 0 378.476 3.547 20 30 GHEDRO CC(C)C(=O)NC1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000507133764 852587452 /nfs/dbraw/zinc/58/74/52/852587452.db2.gz DXDYACBLEKDRDH-UHFFFAOYSA-N 1 0 391.515 3.874 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(C#N)ccc1OC ZINC000438586197 852591701 /nfs/dbraw/zinc/59/17/01/852591701.db2.gz YQCWIGOQROTAPW-UHFFFAOYSA-N 1 0 386.418 3.695 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000489843153 852603460 /nfs/dbraw/zinc/60/34/60/852603460.db2.gz SCFPCWCTGJMIDO-CQSZACIVSA-N 1 0 387.409 3.943 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000489870861 852618723 /nfs/dbraw/zinc/61/87/23/852618723.db2.gz IOZHDBVXIVNCBW-HNNXBMFYSA-N 1 0 378.398 3.569 20 30 GHEDRO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)c12 ZINC000329857309 862377522 /nfs/dbraw/zinc/37/75/22/862377522.db2.gz ZARAKVUHCRXKCZ-YVEFUNNKSA-N 1 0 395.532 3.793 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261957204 852722343 /nfs/dbraw/zinc/72/23/43/852722343.db2.gz JCTLHLWHIYYRMT-PXNSSMCTSA-N 1 0 392.507 3.505 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1C1CCCCC1 ZINC000669033549 852786613 /nfs/dbraw/zinc/78/66/13/852786613.db2.gz SHCQVPYGLZLPGC-AABGKKOBSA-N 1 0 385.556 3.549 20 30 GHEDRO N#Cc1cscc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516629708 852823768 /nfs/dbraw/zinc/82/37/68/852823768.db2.gz CVIJJLYJKDYZCK-QGZVFWFLSA-N 1 0 377.473 3.516 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000466570397 862405152 /nfs/dbraw/zinc/40/51/52/862405152.db2.gz QRZRHSWRJKOFEF-UHFFFAOYSA-N 1 0 398.510 3.907 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000507428226 852905752 /nfs/dbraw/zinc/90/57/52/852905752.db2.gz KBEUMCMAMIFJBZ-DNVCBOLYSA-N 1 0 378.432 3.621 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CCC3(CC[NH2+]C3)CC2)c1Br ZINC000518144322 852926098 /nfs/dbraw/zinc/92/60/98/852926098.db2.gz SYKCWTIMHSXMBK-UHFFFAOYSA-N 1 0 385.309 3.757 20 30 GHEDRO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccc(Br)c1 ZINC000516746780 852968007 /nfs/dbraw/zinc/96/80/07/852968007.db2.gz PLJQZFCHBKTEPW-GOSISDBHSA-N 1 0 380.330 3.714 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000507490584 852972602 /nfs/dbraw/zinc/97/26/02/852972602.db2.gz IRMSVLJWHFUZRW-HZPDHXFCSA-N 1 0 383.517 3.975 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC000913016592 852994433 /nfs/dbraw/zinc/99/44/33/852994433.db2.gz CPZJDPTZBJSGEM-UHFFFAOYSA-N 1 0 385.155 3.543 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)nnn1-c1cccc(C)c1 ZINC000329914236 862417891 /nfs/dbraw/zinc/41/78/91/862417891.db2.gz CHPAWXFBWNXVKB-UHFFFAOYSA-N 1 0 381.524 3.986 20 30 GHEDRO O=C(CCn1ccnc1)Nc1cccc(C(=O)N2CCC[C@]3(CCCOC3)C2)c1 ZINC000329912773 862418536 /nfs/dbraw/zinc/41/85/36/862418536.db2.gz BLQMXGMCXUQZDT-QFIPXVFZSA-N 1 0 396.491 3.594 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000414902621 853060061 /nfs/dbraw/zinc/06/00/61/853060061.db2.gz KEVYJOUIHIPWNE-IEBWSBKVSA-N 1 0 398.894 3.577 20 30 GHEDRO COc1cccc2c1CC[C@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)C2 ZINC000518283896 853161817 /nfs/dbraw/zinc/16/18/17/853161817.db2.gz RSVQBGOJZHWSNU-GPJFCIFZSA-N 1 0 377.488 3.799 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000437541803 853260642 /nfs/dbraw/zinc/26/06/42/853260642.db2.gz SUPVVIMPXKIBAH-FGZHOGPDSA-N 1 0 399.579 3.959 20 30 GHEDRO CN1C(=O)C[C@H](C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000329948107 862447140 /nfs/dbraw/zinc/44/71/40/862447140.db2.gz KLXCACTYDLDSSX-ICSRJNTNSA-N 1 0 389.927 3.690 20 30 GHEDRO C[NH+](C)C1(C)CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000913398347 853314293 /nfs/dbraw/zinc/31/42/93/853314293.db2.gz YFBNOALSAZQJCZ-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO CCC(CC)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000518434791 853343583 /nfs/dbraw/zinc/34/35/83/853343583.db2.gz PALNZJOYBPXZIH-GOSISDBHSA-N 1 0 377.535 3.556 20 30 GHEDRO C[C@H](c1ccccc1Cl)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000029690235 853361756 /nfs/dbraw/zinc/36/17/56/853361756.db2.gz PSFBUVCRWSWYQJ-QGZVFWFLSA-N 1 0 396.922 3.919 20 30 GHEDRO Cn1cc(CN2CC[NH+](CC3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491070002 853436417 /nfs/dbraw/zinc/43/64/17/853436417.db2.gz ZPDIRFKBLJMOQB-UHFFFAOYSA-N 1 0 377.536 3.657 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000437716918 853464133 /nfs/dbraw/zinc/46/41/33/853464133.db2.gz NLMILYCUXVKUDB-RZDIXWSQSA-N 1 0 381.442 3.901 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000586793793 853552349 /nfs/dbraw/zinc/55/23/49/853552349.db2.gz RHJZKRYWBLEPPV-IGEOTXOUSA-N 1 0 378.432 3.841 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCOc2c(OC)cccc21)C(C)C ZINC000586983008 853614283 /nfs/dbraw/zinc/61/42/83/853614283.db2.gz VDXIIRRGDJOZMT-RBUKOAKNSA-N 1 0 387.524 3.517 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000517307165 853622434 /nfs/dbraw/zinc/62/24/34/853622434.db2.gz RTFJYVZTXBEZDT-GGAORHGYSA-N 1 0 391.515 3.915 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)CC1 ZINC000440784965 853622645 /nfs/dbraw/zinc/62/26/45/853622645.db2.gz VQVLPQVBSLQLNG-JOCHJYFZSA-N 1 0 395.551 3.581 20 30 GHEDRO C=CCCOCC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000147481031 853662806 /nfs/dbraw/zinc/66/28/06/853662806.db2.gz JEIPPERKVCNWHM-UHFFFAOYSA-N 1 0 393.531 3.536 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc(C#N)o3)n2)cc1OC ZINC000426396190 853690026 /nfs/dbraw/zinc/69/00/26/853690026.db2.gz OSZKIBCNKPJEAF-UHFFFAOYSA-N 1 0 382.420 3.597 20 30 GHEDRO Cc1oc(NC(=O)C[N@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c(C#N)c1C ZINC000156367620 853714491 /nfs/dbraw/zinc/71/44/91/853714491.db2.gz NYMQFIRYRMRGJU-IBGZPJMESA-N 1 0 387.455 3.537 20 30 GHEDRO N#Cc1ccnc(N2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000044714743 853811313 /nfs/dbraw/zinc/81/13/13/853811313.db2.gz DDTSWJXFDHJRGW-UHFFFAOYSA-N 1 0 379.851 3.584 20 30 GHEDRO COCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000520183716 853931928 /nfs/dbraw/zinc/93/19/28/853931928.db2.gz LWZGFVMCCYFNTR-IFXJQAMLSA-N 1 0 397.441 3.523 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000156617412 853940549 /nfs/dbraw/zinc/94/05/49/853940549.db2.gz KNTAVGIJMKDWNT-CALCHBBNSA-N 1 0 396.462 3.699 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)c(Cl)c1F ZINC000185974038 862520991 /nfs/dbraw/zinc/52/09/91/862520991.db2.gz WCEBNEYWEVDYAA-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO C=CCc1cc(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c(O)c(OC)c1 ZINC000164450032 854011287 /nfs/dbraw/zinc/01/12/87/854011287.db2.gz KBOSTBSFLLKZLX-INIZCTEOSA-N 1 0 386.458 3.835 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000481907817 862523938 /nfs/dbraw/zinc/52/39/38/862523938.db2.gz BTQVUECHROJMQS-DEOSSOPVSA-N 1 0 375.516 3.948 20 30 GHEDRO CSc1ccc(N2C[C@@H](C(=O)NC3CC([NH+]4CCCCC4)C3)CC2=O)cc1 ZINC000330039933 862525455 /nfs/dbraw/zinc/52/54/55/862525455.db2.gz BZTLLRVVDNRUQR-HJOIGYKYSA-N 1 0 387.549 3.735 20 30 GHEDRO N#Cc1cc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(N)c1[N+](=O)[O-] ZINC000588015873 854077552 /nfs/dbraw/zinc/07/75/52/854077552.db2.gz DCXCJFHNIZYVDN-LKUPVBHCSA-N 1 0 391.475 3.761 20 30 GHEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000441364987 854147979 /nfs/dbraw/zinc/14/79/79/854147979.db2.gz OMLWVCZMYICXDB-XMSQKQJNSA-N 1 0 387.487 3.730 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)s1 ZINC000571828384 854150158 /nfs/dbraw/zinc/15/01/58/854150158.db2.gz RXXKWWIRNOKDOE-WOPDTQHZSA-N 1 0 391.928 3.939 20 30 GHEDRO CCOc1ccccc1CN1CC[N@H+](CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000441378110 854162195 /nfs/dbraw/zinc/16/21/95/854162195.db2.gz NFQUPFYUDNPQLV-FQEVSTJZSA-N 1 0 385.552 3.692 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000588232461 854225318 /nfs/dbraw/zinc/22/53/18/854225318.db2.gz IGHLCJCIEZJQPA-FQEVSTJZSA-N 1 0 383.923 3.542 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536265596 854240239 /nfs/dbraw/zinc/24/02/39/854240239.db2.gz UQNANWIAZGULJW-FCEUIQTBSA-N 1 0 377.488 3.523 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000588339577 854299108 /nfs/dbraw/zinc/29/91/08/854299108.db2.gz GUMYAANKNQPRSC-NRFANRHFSA-N 1 0 398.482 3.587 20 30 GHEDRO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000572056088 854346755 /nfs/dbraw/zinc/34/67/55/854346755.db2.gz PAUZPRIXMFKDPH-WOJBJXKFSA-N 1 0 385.577 3.882 20 30 GHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)Cc2ccccc2)nnc1-c1ccoc1C ZINC000588686736 854358287 /nfs/dbraw/zinc/35/82/87/854358287.db2.gz APWIYTAQXPOEDX-SFHVURJKSA-N 1 0 398.532 3.618 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000572130991 854408495 /nfs/dbraw/zinc/40/84/95/854408495.db2.gz VVMQHUFPNKFSJI-LPHOPBHVSA-N 1 0 378.501 3.925 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(CN3CCCCC3=O)c2)C[C@@H]1C ZINC000330099509 862573836 /nfs/dbraw/zinc/57/38/36/862573836.db2.gz DCPVSBGCXAMZHM-PXNSSMCTSA-N 1 0 386.540 3.549 20 30 GHEDRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328742256 854524499 /nfs/dbraw/zinc/52/44/99/854524499.db2.gz MSSZTLLAVKQMQL-RTBURBONSA-N 1 0 384.524 3.586 20 30 GHEDRO CN(C)c1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)nc2ccccc21 ZINC000328753721 854528708 /nfs/dbraw/zinc/52/87/08/854528708.db2.gz DKIBKTIDGXNLTG-UHFFFAOYSA-N 1 0 396.535 3.641 20 30 GHEDRO Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000328759941 854530756 /nfs/dbraw/zinc/53/07/56/854530756.db2.gz WUOAUOJFDCITMB-NRFANRHFSA-N 1 0 395.551 3.877 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cn(-c2ccc(Br)cc2)cn1 ZINC000328767637 854533843 /nfs/dbraw/zinc/53/38/43/854533843.db2.gz HQPCMKGAXAZQGL-WBVHZDCISA-N 1 0 389.297 3.566 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)N3CCC[N@H+](Cc4ccccc4)CC3)cn21 ZINC000328730392 854539459 /nfs/dbraw/zinc/53/94/59/854539459.db2.gz GATAMMKNSBRBNN-UHFFFAOYSA-N 1 0 392.507 3.606 20 30 GHEDRO Cc1c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)sc2nccn12 ZINC000328798601 854560938 /nfs/dbraw/zinc/56/09/38/854560938.db2.gz WUNMKWNXIPQVMN-UHFFFAOYSA-N 1 0 389.912 3.746 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328833859 854567603 /nfs/dbraw/zinc/56/76/03/854567603.db2.gz RWPYQODEIHPJAP-BASLNEPJSA-N 1 0 386.414 3.544 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000328836031 854568666 /nfs/dbraw/zinc/56/86/66/854568666.db2.gz MNEDKTDTULZVLY-JKIFEVAISA-N 1 0 375.538 3.958 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)C2)CC1 ZINC000328862080 854584627 /nfs/dbraw/zinc/58/46/27/854584627.db2.gz LYEGSNAJEAAGRK-MRXNPFEDSA-N 1 0 387.915 3.735 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000328893942 854599806 /nfs/dbraw/zinc/59/98/06/854599806.db2.gz USQNDFMVMJFWIL-NRFANRHFSA-N 1 0 395.551 3.935 20 30 GHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCS(=O)(=O)C2)[C@@H]2CCCC[C@@H]12 ZINC000328922601 854622893 /nfs/dbraw/zinc/62/28/93/854622893.db2.gz UMCZRADEGDDRJZ-GFLQDLJJSA-N 1 0 398.613 3.835 20 30 GHEDRO C#CCNC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nc1 ZINC000732912556 862585935 /nfs/dbraw/zinc/58/59/35/862585935.db2.gz QSEFHFJHCAHZLR-RTBURBONSA-N 1 0 390.531 3.535 20 30 GHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000328967153 854635390 /nfs/dbraw/zinc/63/53/90/854635390.db2.gz NGVVJOBGWFJWBU-DNOHQQHGSA-N 1 0 390.568 3.552 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000328979390 854639450 /nfs/dbraw/zinc/63/94/50/854639450.db2.gz QZTBCDXYTHDYJC-XEQBAVFLSA-N 1 0 396.915 3.577 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)c1 ZINC000589128752 854704518 /nfs/dbraw/zinc/70/45/18/854704518.db2.gz JGKQYECVPUWESX-GOSISDBHSA-N 1 0 376.460 3.917 20 30 GHEDRO COCCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000330857168 854760313 /nfs/dbraw/zinc/76/03/13/854760313.db2.gz QGEMBCLHTRGVHR-NEPJUHHUSA-N 1 0 390.311 3.589 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000112543016 854763113 /nfs/dbraw/zinc/76/31/13/854763113.db2.gz GOBHCBNYWFLKIS-IAGOWNOFSA-N 1 0 383.467 3.816 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)CC2 ZINC000589338072 854797453 /nfs/dbraw/zinc/79/74/53/854797453.db2.gz SIHFNDGLDPHQQE-APWZRJJASA-N 1 0 376.378 3.594 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccc(C(F)(F)F)cc3)C1=O)CC2 ZINC000589342265 854799062 /nfs/dbraw/zinc/79/90/62/854799062.db2.gz FVUCZIUMRUMOIY-MOPGFXCFSA-N 1 0 385.389 3.959 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550404501 854828517 /nfs/dbraw/zinc/82/85/17/854828517.db2.gz HYPJNPUFDCAJPG-INIZCTEOSA-N 1 0 396.934 3.974 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000589364984 854829304 /nfs/dbraw/zinc/82/93/04/854829304.db2.gz ADGWZIHCLFEVJD-INIZCTEOSA-N 1 0 379.464 3.741 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C[C@H]1C ZINC000331252640 854833278 /nfs/dbraw/zinc/83/32/78/854833278.db2.gz UQTSZWQVDBNZII-GDBMZVCRSA-N 1 0 376.501 3.707 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCCc3c[nH]nc32)c2ccccc2)CC1 ZINC000330157217 862622989 /nfs/dbraw/zinc/62/29/89/862622989.db2.gz PHJDEDAFPAXBFC-VQTJNVASSA-N 1 0 381.524 3.764 20 30 GHEDRO CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000589512806 854972215 /nfs/dbraw/zinc/97/22/15/854972215.db2.gz JTRAAHJXLZZQJC-JOCHJYFZSA-N 1 0 375.516 3.789 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccc(CCC)cc1 ZINC000027311460 855061637 /nfs/dbraw/zinc/06/16/37/855061637.db2.gz XACZVCQKSVTBFR-UHFFFAOYSA-O 1 0 397.520 3.760 20 30 GHEDRO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)c1 ZINC000115762573 855088895 /nfs/dbraw/zinc/08/88/95/855088895.db2.gz WPXAXLCDJJMBGE-YLJYHZDGSA-N 1 0 375.513 3.510 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc2c(c1)CCCC2 ZINC000186964807 862639822 /nfs/dbraw/zinc/63/98/22/862639822.db2.gz XLKIMUSDEWDOAH-ZDUSSCGKSA-O 1 0 386.541 3.785 20 30 GHEDRO C[C@H](Oc1cccc(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498370973 855116745 /nfs/dbraw/zinc/11/67/45/855116745.db2.gz BMIOEAGZDHTFSK-INIZCTEOSA-N 1 0 385.895 3.569 20 30 GHEDRO C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000669340359 855123460 /nfs/dbraw/zinc/12/34/60/855123460.db2.gz ZLRNTSNIHCTGEB-SFHVURJKSA-N 1 0 397.571 3.725 20 30 GHEDRO CC(=O)Nc1cccc2c1CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000054392146 855148527 /nfs/dbraw/zinc/14/85/27/855148527.db2.gz LTUFYNGHGGCXIJ-UHFFFAOYSA-N 1 0 396.878 3.557 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000054425046 855151054 /nfs/dbraw/zinc/15/10/54/855151054.db2.gz WVJMZRCDUQQMAK-UHFFFAOYSA-N 1 0 383.517 3.586 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000106036464 855170965 /nfs/dbraw/zinc/17/09/65/855170965.db2.gz ZEOLFQWTUKBRDM-UHFFFAOYSA-N 1 0 389.499 3.908 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000330190501 862649204 /nfs/dbraw/zinc/64/92/04/862649204.db2.gz WDQTVSMCILFKTQ-IZBOUPIGSA-N 1 0 399.579 3.984 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1N1CCNC1=O ZINC000330208190 862662034 /nfs/dbraw/zinc/66/20/34/862662034.db2.gz GNRMOQWHJGALCD-GOSISDBHSA-N 1 0 387.528 3.565 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273412673 855362117 /nfs/dbraw/zinc/36/21/17/855362117.db2.gz IOHQMARRBPOLHA-RTWAWAEBSA-N 1 0 381.451 3.878 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)[C@@H]2C1 ZINC000590442041 855421341 /nfs/dbraw/zinc/42/13/41/855421341.db2.gz FVCMFZYQJAKYSD-UYAOXDASSA-N 1 0 377.513 3.627 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107529603 855465855 /nfs/dbraw/zinc/46/58/55/855465855.db2.gz HUQPPHRETYYGHX-HXUWFJFHSA-N 1 0 393.487 3.821 20 30 GHEDRO Cc1ccc(C)c(SCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000107603023 855493208 /nfs/dbraw/zinc/49/32/08/855493208.db2.gz SQUONLGAMWSLCZ-UHFFFAOYSA-N 1 0 381.545 3.858 20 30 GHEDRO Cc1ccc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000330242025 862687217 /nfs/dbraw/zinc/68/72/17/862687217.db2.gz WJBMQUCPAPTRHC-BDTNDASRSA-N 1 0 385.552 3.814 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000056405024 855536971 /nfs/dbraw/zinc/53/69/71/855536971.db2.gz XTMJRZYYGMFQLJ-OAQYLSRUSA-N 1 0 392.503 3.593 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000301256161 855648066 /nfs/dbraw/zinc/64/80/66/855648066.db2.gz DJTBOUHWNXWGEG-UHFFFAOYSA-N 1 0 389.425 3.596 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000590925587 855657396 /nfs/dbraw/zinc/65/73/96/855657396.db2.gz KUTMPXFAQFUTLU-NRFANRHFSA-N 1 0 380.467 3.724 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000056839621 855690872 /nfs/dbraw/zinc/69/08/72/855690872.db2.gz SLYVBHQWPJZTPX-QFIPXVFZSA-N 1 0 392.478 3.602 20 30 GHEDRO CC(C)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)Nc1ccccc1 ZINC000591018748 855716722 /nfs/dbraw/zinc/71/67/22/855716722.db2.gz IGCKPMIIKDEDGT-UHFFFAOYSA-N 1 0 384.867 3.547 20 30 GHEDRO CCc1nnc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C#N)c1CC ZINC000301608673 855723181 /nfs/dbraw/zinc/72/31/81/855723181.db2.gz ABTCMZYYMSQKRU-IAGOWNOFSA-N 1 0 393.535 3.694 20 30 GHEDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C(F)(F)F)cc1C#N ZINC000301637470 855731271 /nfs/dbraw/zinc/73/12/71/855731271.db2.gz LYABWPLLUYZLDD-HNNXBMFYSA-N 1 0 389.425 3.595 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843852 855738430 /nfs/dbraw/zinc/73/84/30/855738430.db2.gz FCAGHOMXJHZHLW-LJQANCHMSA-N 1 0 390.531 3.729 20 30 GHEDRO N#Cc1nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccc1Cl ZINC000301935914 855784645 /nfs/dbraw/zinc/78/46/45/855784645.db2.gz RWDAKOKKSOTYBN-UHFFFAOYSA-N 1 0 381.911 3.751 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057202881 855816459 /nfs/dbraw/zinc/81/64/59/855816459.db2.gz OOEPCMYMYWSKKR-JOCHJYFZSA-N 1 0 378.520 3.653 20 30 GHEDRO C#CCOCCC(=O)OC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000166581257 855822463 /nfs/dbraw/zinc/82/24/63/855822463.db2.gz QCHRIEXVHKCXOT-APWZRJJASA-N 1 0 383.410 3.671 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000482138060 862724450 /nfs/dbraw/zinc/72/44/50/862724450.db2.gz BDRWYUYDNKFYMB-FUHWJXTLSA-N 1 0 376.932 3.640 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000591306353 855901967 /nfs/dbraw/zinc/90/19/67/855901967.db2.gz SGAVAKLACPFTEI-SJLPKXTDSA-N 1 0 394.523 3.633 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441670661 855918294 /nfs/dbraw/zinc/91/82/94/855918294.db2.gz WGUIPVUSMLUUSZ-HOTGVXAUSA-N 1 0 387.549 3.576 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441670664 855918422 /nfs/dbraw/zinc/91/84/22/855918422.db2.gz WGUIPVUSMLUUSZ-HZPDHXFCSA-N 1 0 387.549 3.576 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000058052647 855991793 /nfs/dbraw/zinc/99/17/93/855991793.db2.gz XBBIUMJPGVJUDS-KRWDZBQOSA-N 1 0 385.489 3.803 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+]2CCCC2)o1 ZINC000171170612 856005130 /nfs/dbraw/zinc/00/51/30/856005130.db2.gz LUBSIJOFTHCEIB-QGZVFWFLSA-N 1 0 383.496 3.975 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CC1 ZINC000172158002 856007852 /nfs/dbraw/zinc/00/78/52/856007852.db2.gz LFRCSRMXEBMIJJ-AREMUKBSSA-N 1 0 377.554 3.506 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CC1 ZINC000172157994 856008006 /nfs/dbraw/zinc/00/80/06/856008006.db2.gz LFRCSRMXEBMIJJ-SANMLTNESA-N 1 0 377.554 3.506 20 30 GHEDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000554748930 856065279 /nfs/dbraw/zinc/06/52/79/856065279.db2.gz DZYJITSORQKGGC-YCRPNKLZSA-N 1 0 389.565 3.558 20 30 GHEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000482161641 862757846 /nfs/dbraw/zinc/75/78/46/862757846.db2.gz FGKCEUJNDRAMTR-OAQYLSRUSA-N 1 0 398.938 3.896 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171680333 856228997 /nfs/dbraw/zinc/22/89/97/856228997.db2.gz QKMXMOASOHHTHW-LJQANCHMSA-N 1 0 393.453 3.717 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000591763848 856231531 /nfs/dbraw/zinc/23/15/31/856231531.db2.gz MSIBTNPRZJOOMF-IFXJQAMLSA-N 1 0 377.271 3.882 20 30 GHEDRO C#CC[N@@H+](C[C@H](O)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195131 862774397 /nfs/dbraw/zinc/77/43/97/862774397.db2.gz FAIIJNBNCPUFFD-MOPGFXCFSA-N 1 0 386.289 3.942 20 30 GHEDRO CC(C)(CC#N)C[NH2+]C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000591770223 856291330 /nfs/dbraw/zinc/29/13/30/856291330.db2.gz LAVLNTNPWWFQNL-FQEVSTJZSA-N 1 0 388.458 3.961 20 30 GHEDRO CCOc1ccccc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000172170017 856359044 /nfs/dbraw/zinc/35/90/44/856359044.db2.gz BMBDEOFQSWGXFO-UHFFFAOYSA-N 1 0 383.517 3.968 20 30 GHEDRO CCOCc1nc(C)cc(N=NC(C)c2ccc(O)c(C[NH+]3CCCCC3)c2)n1 ZINC000905506485 856359970 /nfs/dbraw/zinc/35/99/70/856359970.db2.gz LJCDWIQWEHGWCF-UHFFFAOYSA-N 1 0 397.523 3.849 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466611093 862788522 /nfs/dbraw/zinc/78/85/22/862788522.db2.gz SCIKGTQDBGUHLZ-KRWDZBQOSA-N 1 0 387.528 3.786 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000109855717 856382659 /nfs/dbraw/zinc/38/26/59/856382659.db2.gz GTDIKJFPSWMXCA-QGZVFWFLSA-N 1 0 395.528 3.822 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccc(CC#N)cc3)cc2)CC1 ZINC000591899393 856412152 /nfs/dbraw/zinc/41/21/52/856412152.db2.gz WCOXERRBKFTWJI-UHFFFAOYSA-N 1 0 390.531 3.984 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000172395026 856420738 /nfs/dbraw/zinc/42/07/38/856420738.db2.gz ZKYRHECWQJYJIO-HNNXBMFYSA-N 1 0 377.444 3.699 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(-c4ccccn4)c3)C2=O)cc1 ZINC000485390209 856431636 /nfs/dbraw/zinc/43/16/36/856431636.db2.gz XHOHJQKFHJARIB-QHCPKHFHSA-N 1 0 382.467 3.905 20 30 GHEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000485378980 856434888 /nfs/dbraw/zinc/43/48/88/856434888.db2.gz DUOIXQUTPDJDAA-FGZHOGPDSA-N 1 0 375.472 3.729 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000157540982 856475453 /nfs/dbraw/zinc/47/54/53/856475453.db2.gz QBDLLTIFIPDLTN-IBQBPIARSA-N 1 0 387.572 3.917 20 30 GHEDRO Cc1nc(SCC(=O)N(CC[NH+](C)C)c2ccccc2)c(C#N)c(C)c1C ZINC000058297908 856563758 /nfs/dbraw/zinc/56/37/58/856563758.db2.gz ZVNMPQRZFCGUPS-UHFFFAOYSA-N 1 0 382.533 3.565 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000172849713 856636411 /nfs/dbraw/zinc/63/64/11/856636411.db2.gz ZFLHPESYEZDRIP-RTBURBONSA-N 1 0 383.442 3.530 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000542885200 856651441 /nfs/dbraw/zinc/65/14/41/856651441.db2.gz UWDQZUXJLJACBG-MBSDFSHPSA-N 1 0 391.515 4.000 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)CC1 ZINC000592071297 856651876 /nfs/dbraw/zinc/65/18/76/856651876.db2.gz XZKMPGBXFWCXRO-UHFFFAOYSA-N 1 0 380.488 3.933 20 30 GHEDRO N#CCCN(C(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1)c1ccccc1 ZINC000592139346 856675205 /nfs/dbraw/zinc/67/52/05/856675205.db2.gz WWVZDNCAKXEBEJ-QHCPKHFHSA-N 1 0 391.515 3.596 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000592185093 856684300 /nfs/dbraw/zinc/68/43/00/856684300.db2.gz VNCADYQSYGHIIL-VQTJNVASSA-N 1 0 383.536 3.830 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000592296502 856768524 /nfs/dbraw/zinc/76/85/24/856768524.db2.gz NPJAAJBMJJDLRT-KRWDZBQOSA-N 1 0 390.959 3.506 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000592301925 856772132 /nfs/dbraw/zinc/77/21/32/856772132.db2.gz FADANGWYUICWPS-RBBKRZOGSA-N 1 0 385.552 3.836 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000465895233 856803063 /nfs/dbraw/zinc/80/30/63/856803063.db2.gz QXXPLDINQZSEPX-JWFWCLOMSA-N 1 0 396.535 3.516 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ncc(Br)s3)C2)c(F)c1 ZINC000542923129 856835688 /nfs/dbraw/zinc/83/56/88/856835688.db2.gz AHRUVEUPOXOAEO-GFCCVEGCSA-N 1 0 395.301 3.675 20 30 GHEDRO N#Cc1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cs1 ZINC000921860356 856862097 /nfs/dbraw/zinc/86/20/97/856862097.db2.gz BMSOIEYDKIZVKS-UHFFFAOYSA-N 1 0 392.322 3.509 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000592476212 856887370 /nfs/dbraw/zinc/88/73/70/856887370.db2.gz MGHOIHZNZPEYIL-JOCHJYFZSA-N 1 0 379.504 3.734 20 30 GHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159601694 862852261 /nfs/dbraw/zinc/85/22/61/862852261.db2.gz XCJSDZKHKSVYCK-KBPBESRZSA-N 1 0 383.330 3.768 20 30 GHEDRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330312289 862858399 /nfs/dbraw/zinc/85/83/99/862858399.db2.gz WHTKJANWTVICHQ-QGZVFWFLSA-N 1 0 385.512 3.544 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000058560295 857055439 /nfs/dbraw/zinc/05/54/39/857055439.db2.gz KJUKSQUBUGFDDI-UHFFFAOYSA-N 1 0 398.429 3.743 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000733326398 862868276 /nfs/dbraw/zinc/86/82/76/862868276.db2.gz ZVJLIDPRXFWEPE-QHCPKHFHSA-N 1 0 398.934 3.905 20 30 GHEDRO C[N@H+](CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000508219722 857081068 /nfs/dbraw/zinc/08/10/68/857081068.db2.gz APYGEARYVRQHAK-UHFFFAOYSA-N 1 0 398.551 3.766 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)ccc1OC ZINC000733330352 862871649 /nfs/dbraw/zinc/87/16/49/862871649.db2.gz UYJZBCBPHUKXGQ-FQEVSTJZSA-N 1 0 376.460 3.852 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)nc21 ZINC000428147426 857140099 /nfs/dbraw/zinc/14/00/99/857140099.db2.gz DLKSXQICWFDXGL-NRFANRHFSA-N 1 0 390.531 3.746 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000112532126 857146807 /nfs/dbraw/zinc/14/68/07/857146807.db2.gz OPLKVUWSNRTUMG-RYUDHWBXSA-N 1 0 384.461 3.694 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000173803131 857158637 /nfs/dbraw/zinc/15/86/37/857158637.db2.gz QLBICQDQQIGCNB-IBGZPJMESA-N 1 0 391.515 3.941 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000508324918 857166075 /nfs/dbraw/zinc/16/60/75/857166075.db2.gz LPTVCRZLKOYUEU-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO N#Cc1cccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000112706474 857188977 /nfs/dbraw/zinc/18/89/77/857188977.db2.gz WEDXNHBWCUZHLI-UHFFFAOYSA-N 1 0 397.544 3.554 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888414669 857274226 /nfs/dbraw/zinc/27/42/26/857274226.db2.gz XBZVIDLWGQJZMN-AWEZNQCLSA-N 1 0 389.912 3.654 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)[C@@H](C)C1 ZINC000574212226 857289424 /nfs/dbraw/zinc/28/94/24/857289424.db2.gz UGVPURUIOCJVQY-PXNSSMCTSA-N 1 0 380.540 3.639 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)[C@H](C)C1 ZINC000574212228 857289483 /nfs/dbraw/zinc/28/94/83/857289483.db2.gz UGVPURUIOCJVQY-XLIONFOSSA-N 1 0 380.540 3.639 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)n1C(C)C ZINC000593884292 862897642 /nfs/dbraw/zinc/89/76/42/862897642.db2.gz VYSHNPWWOZJKAQ-UHFFFAOYSA-N 1 0 378.520 3.952 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)NCC2(C#N)CCCC2)ccc1OC ZINC000593150933 857373658 /nfs/dbraw/zinc/37/36/58/857373658.db2.gz AUJZWJITSPYLLG-UHFFFAOYSA-N 1 0 388.512 3.621 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)cn2)cc1 ZINC000592422897 857387832 /nfs/dbraw/zinc/38/78/32/857387832.db2.gz OEFWMBZTURPZKO-SFHVURJKSA-N 1 0 377.448 3.542 20 30 GHEDRO CCCc1c(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cnn1-c1ccc(C)cc1 ZINC000330328270 862909695 /nfs/dbraw/zinc/90/96/95/862909695.db2.gz LOAMJGALEGVMMC-DYESRHJHSA-N 1 0 381.524 3.705 20 30 GHEDRO CCN(CC)C(=O)c1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(OC)c1 ZINC001212460355 857430387 /nfs/dbraw/zinc/43/03/87/857430387.db2.gz WCENVAMGJKYFSA-UHFFFAOYSA-N 1 0 398.532 3.842 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000042952617 857466729 /nfs/dbraw/zinc/46/67/29/857466729.db2.gz BOLXWJMHGVPXHK-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000282228767 857474165 /nfs/dbraw/zinc/47/41/65/857474165.db2.gz JGAFBVXOQRFNRH-VQTJNVASSA-N 1 0 394.567 3.541 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000569332996 857496859 /nfs/dbraw/zinc/49/68/59/857496859.db2.gz MTSSJXADEBBFGJ-YOEHRIQHSA-N 1 0 376.909 3.874 20 30 GHEDRO CC[N@H+](CCCNC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1CCCCC1 ZINC000593445512 857574862 /nfs/dbraw/zinc/57/48/62/857574862.db2.gz YMZIBWNCPDBRML-UHFFFAOYSA-N 1 0 397.567 3.693 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](CCOC)[C@@H](CCC)C2)c1 ZINC000499580353 857576250 /nfs/dbraw/zinc/57/62/50/857576250.db2.gz UQFLECXZSAGMIK-IBGZPJMESA-N 1 0 375.513 3.606 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521078504 857588664 /nfs/dbraw/zinc/58/86/64/857588664.db2.gz KWCBJFVDYBREDH-KSZLIROESA-N 1 0 388.512 3.659 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)C1CC1 ZINC000181586376 862930967 /nfs/dbraw/zinc/93/09/67/862930967.db2.gz JBIDQUUVIJYJTO-IFMALSPDSA-N 1 0 383.442 3.647 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593541062 857618014 /nfs/dbraw/zinc/61/80/14/857618014.db2.gz LWOWMHYBPQULKO-UHFFFAOYSA-N 1 0 399.560 3.760 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499596093 857664025 /nfs/dbraw/zinc/66/40/25/857664025.db2.gz YYGURADGLHJAQV-IRXDYDNUSA-N 1 0 378.476 3.694 20 30 GHEDRO C=C(Br)CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157884511 857791128 /nfs/dbraw/zinc/79/11/28/857791128.db2.gz MCDWZSGJJQIQKH-RDJZCZTQSA-N 1 0 380.330 3.590 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000594019906 857839287 /nfs/dbraw/zinc/83/92/87/857839287.db2.gz CIJYHXDWBDWICE-UHFFFAOYSA-N 1 0 390.959 3.701 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1F ZINC000466025797 857872671 /nfs/dbraw/zinc/87/26/71/857872671.db2.gz KJLXRTWVGIQYMB-RBBKRZOGSA-N 1 0 394.494 3.869 20 30 GHEDRO C=CCN1C(=O)N(CCCC[N@H+]2CCCC[C@@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000761050443 857988724 /nfs/dbraw/zinc/98/87/24/857988724.db2.gz LFIQYZPTNYTMRL-PZJWPPBQSA-N 1 0 383.536 3.703 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000439003946 858016320 /nfs/dbraw/zinc/01/63/20/858016320.db2.gz OQVPTGWCNXPMQF-GLBNMMOUSA-N 1 0 395.547 3.705 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(C#N)c1 ZINC000486725552 858025010 /nfs/dbraw/zinc/02/50/10/858025010.db2.gz YSXVZHODQOIYOT-QGZVFWFLSA-N 1 0 377.488 3.505 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000521483466 858054930 /nfs/dbraw/zinc/05/49/30/858054930.db2.gz GRBWWGIPHBDFJG-QFIPXVFZSA-N 1 0 397.519 3.697 20 30 GHEDRO CCCCOc1ccc(CN2CCN(c3cnccc3C#N)CC2)cc1OCC ZINC000574586222 858070940 /nfs/dbraw/zinc/07/09/40/858070940.db2.gz QKCUAIHGGVTHEP-UHFFFAOYSA-N 1 0 394.519 3.853 20 30 GHEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000594351295 858101398 /nfs/dbraw/zinc/10/13/98/858101398.db2.gz OXGLMEDUWGPFJW-LJQANCHMSA-N 1 0 397.544 3.532 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COc2ccccc2C#N)cc1 ZINC000046615506 858168377 /nfs/dbraw/zinc/16/83/77/858168377.db2.gz QTFGYRCZKIGUHH-GOSISDBHSA-N 1 0 377.488 3.628 20 30 GHEDRO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000281378520 862992086 /nfs/dbraw/zinc/99/20/86/862992086.db2.gz MEKTVRJICPTPPR-JTSKRJEESA-N 1 0 394.475 3.552 20 30 GHEDRO C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)[C@@H]([NH3+])CCCCC#N)OCCO3 ZINC000594430351 858175582 /nfs/dbraw/zinc/17/55/82/858175582.db2.gz ZXAHVLMIUWDTLV-APWZRJJASA-N 1 0 397.519 3.584 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)CCC3)cc1 ZINC000594434893 858176237 /nfs/dbraw/zinc/17/62/37/858176237.db2.gz VUTOIHYTFVBSLI-SJORKVTESA-N 1 0 398.532 3.724 20 30 GHEDRO Cc1cc([C@H]2CCCN2C(=O)[C@H]([NH3+])CCCCC#N)ccc1Br ZINC000594443764 858178300 /nfs/dbraw/zinc/17/83/00/858178300.db2.gz UHYLTOBZJQGSEC-IAGOWNOFSA-N 1 0 378.314 3.832 20 30 GHEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000442866288 858184579 /nfs/dbraw/zinc/18/45/79/858184579.db2.gz KXAQLVQWRSWABH-VIQWUECVSA-N 1 0 389.565 3.842 20 30 GHEDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 ZINC000442891879 858213186 /nfs/dbraw/zinc/21/31/86/858213186.db2.gz OJEYPDPTNHOSHD-JLTOFOAXSA-N 1 0 375.538 3.574 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000249093532 863003606 /nfs/dbraw/zinc/00/36/06/863003606.db2.gz SZDBLESJCJLVQD-RQUSPXKASA-N 1 0 387.842 3.798 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c2)CCO1 ZINC000594918092 858304407 /nfs/dbraw/zinc/30/44/07/858304407.db2.gz PHPAHRRPAQJSOV-LJQANCHMSA-N 1 0 375.516 3.752 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000521809488 858334365 /nfs/dbraw/zinc/33/43/65/858334365.db2.gz HTVSYRZMMOMLTE-UHFFFAOYSA-N 1 0 386.565 3.747 20 30 GHEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000595056741 858366446 /nfs/dbraw/zinc/36/64/46/858366446.db2.gz VQQJCRRNNHMLCQ-UXHICEINSA-N 1 0 387.483 3.688 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC(C)C ZINC000067011118 858395057 /nfs/dbraw/zinc/39/50/57/858395057.db2.gz AXMYOBQQSHJTIH-UHFFFAOYSA-N 1 0 380.492 3.508 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Cl ZINC000595227640 858445638 /nfs/dbraw/zinc/44/56/38/858445638.db2.gz HVTXAOVMLJSHQS-QXAKKESOSA-N 1 0 386.858 3.898 20 30 GHEDRO N#Cc1ccc(CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)C2CC2)cc1 ZINC000595271722 858458564 /nfs/dbraw/zinc/45/85/64/858458564.db2.gz XDVPWVRHGZKJKS-VXKWHMMOSA-N 1 0 392.478 3.517 20 30 GHEDRO CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000595303367 858467424 /nfs/dbraw/zinc/46/74/24/858467424.db2.gz PGOAWDORMNHHFQ-LJQANCHMSA-N 1 0 383.536 3.686 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000574988614 858485172 /nfs/dbraw/zinc/48/51/72/858485172.db2.gz ICJLAMODPFJLTG-MRXNPFEDSA-N 1 0 385.478 3.661 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C[NH+]1CCCC1 ZINC000115338364 858497129 /nfs/dbraw/zinc/49/71/29/858497129.db2.gz WFCPNVFQHBRYQD-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO CCC[N@H+](CCc1ccc(C#N)cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000595371669 858518911 /nfs/dbraw/zinc/51/89/11/858518911.db2.gz QHKZSLJRDDPBLP-UHFFFAOYSA-N 1 0 377.536 3.889 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115567300 858570712 /nfs/dbraw/zinc/57/07/12/858570712.db2.gz UDNBTCZPJQKWLE-KOHRHEQBSA-N 1 0 388.943 3.735 20 30 GHEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000522080612 858603362 /nfs/dbraw/zinc/60/33/62/858603362.db2.gz UOWPSLWZDGQNFT-BDWAOYLISA-N 1 0 398.551 3.810 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595619971 858619139 /nfs/dbraw/zinc/61/91/39/858619139.db2.gz IGDVKUBBMUAGHX-HOTGVXAUSA-N 1 0 396.516 3.953 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000595690781 858648755 /nfs/dbraw/zinc/64/87/55/858648755.db2.gz IEIBYPUYKMHWIA-UHFFFAOYSA-N 1 0 396.922 3.718 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H](C)[C@H]2CCO)c1C#N ZINC000595695859 858650228 /nfs/dbraw/zinc/65/02/28/858650228.db2.gz INIKWDAEANFSSS-MGPUTAFESA-N 1 0 386.540 3.513 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCOC(C3CC3)(C3CC3)C2)sc2c1CCCC2 ZINC000595822133 858683497 /nfs/dbraw/zinc/68/34/97/858683497.db2.gz NBJHKWCSYFLYNF-UHFFFAOYSA-N 1 0 399.560 3.718 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1Cl ZINC000595786954 858686987 /nfs/dbraw/zinc/68/69/87/858686987.db2.gz DCYUPQFYULCPGP-APWZRJJASA-N 1 0 375.900 3.821 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1Cl ZINC000595786955 858687213 /nfs/dbraw/zinc/68/72/13/858687213.db2.gz DCYUPQFYULCPGP-LPHOPBHVSA-N 1 0 375.900 3.821 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595831872 858702314 /nfs/dbraw/zinc/70/23/14/858702314.db2.gz QDRIPGIFWOQFKU-SFTDATJTSA-N 1 0 380.536 3.624 20 30 GHEDRO COCC1([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCCC1 ZINC000595909497 858715135 /nfs/dbraw/zinc/71/51/35/858715135.db2.gz PCQXQVDJBXRWAM-MRXNPFEDSA-N 1 0 375.538 3.816 20 30 GHEDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@H](O)C12CCCC2 ZINC000330356324 863062463 /nfs/dbraw/zinc/06/24/63/863062463.db2.gz RKUGQKYPQIEBRP-NRFANRHFSA-N 1 0 385.552 3.856 20 30 GHEDRO C=CCN1CC(=O)N(C[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)C1=O ZINC000761161644 858830718 /nfs/dbraw/zinc/83/07/18/858830718.db2.gz KLFLAUYVFJEKHQ-INIZCTEOSA-N 1 0 383.414 3.539 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000596309389 858853350 /nfs/dbraw/zinc/85/33/50/858853350.db2.gz WBGHKJXXVGQYKM-MAUKXSAKSA-N 1 0 394.441 3.615 20 30 GHEDRO N#Cc1cc(Br)ccc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314309 858855761 /nfs/dbraw/zinc/85/57/61/858855761.db2.gz DCRKEVIBWSRMBA-UHFFFAOYSA-N 1 0 378.314 3.624 20 30 GHEDRO CO[C@H](Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000596317948 858856594 /nfs/dbraw/zinc/85/65/94/858856594.db2.gz VVLLFONSYBIYFW-XMMPIXPASA-N 1 0 399.494 3.666 20 30 GHEDRO CN(CCC[NH+](C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000184130748 858880763 /nfs/dbraw/zinc/88/07/63/858880763.db2.gz BQWUGTLYCNNUIK-UHFFFAOYSA-N 1 0 380.492 3.747 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596422875 858892618 /nfs/dbraw/zinc/89/26/18/858892618.db2.gz IPEUWKAILVYSLS-SFHVURJKSA-N 1 0 392.890 3.939 20 30 GHEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593182351 858912849 /nfs/dbraw/zinc/91/28/49/858912849.db2.gz JRUJHCOTBOLART-UHFFFAOYSA-N 1 0 393.447 3.561 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000116271581 858920120 /nfs/dbraw/zinc/92/01/20/858920120.db2.gz LEYLWWSXXBYNLE-UHFFFAOYSA-N 1 0 384.867 3.828 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000596594795 858957908 /nfs/dbraw/zinc/95/79/08/858957908.db2.gz NJSGHWUSURNMIQ-HXUWFJFHSA-N 1 0 396.922 3.670 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000116435536 858973403 /nfs/dbraw/zinc/97/34/03/858973403.db2.gz BWBOLCHSTGUPKZ-GOSISDBHSA-N 1 0 376.504 3.925 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000596656324 858976549 /nfs/dbraw/zinc/97/65/49/858976549.db2.gz BGCRPGDCTLWJMU-KRWDZBQOSA-N 1 0 379.464 3.740 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(C#N)c(F)c3)c(C)c2)CC1 ZINC000596665079 858981153 /nfs/dbraw/zinc/98/11/53/858981153.db2.gz XFZMHDNSKXVCMZ-UHFFFAOYSA-N 1 0 384.430 3.539 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000522298777 858988037 /nfs/dbraw/zinc/98/80/37/858988037.db2.gz GFMLSMMBBCJLQG-LJQANCHMSA-N 1 0 388.556 3.710 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000568143376 859010908 /nfs/dbraw/zinc/01/09/08/859010908.db2.gz OZLFPCDYSONJGZ-RBZQAINGSA-N 1 0 375.516 3.815 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596736481 859034447 /nfs/dbraw/zinc/03/44/47/859034447.db2.gz WXDNIYCZDMVTAZ-IAGOWNOFSA-N 1 0 390.553 3.655 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc4cnccc4c3)CC2)c1 ZINC000593219935 859048685 /nfs/dbraw/zinc/04/86/85/859048685.db2.gz RVPPAGLSXHISMX-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO C=CCCSCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000596722308 859053369 /nfs/dbraw/zinc/05/33/69/859053369.db2.gz TXFNKXYUUZOZBJ-ICSRJNTNSA-N 1 0 375.582 3.990 20 30 GHEDRO N#Cc1ccsc1C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923182256 859101928 /nfs/dbraw/zinc/10/19/28/859101928.db2.gz FNPIQLPDRPZTCL-LJQANCHMSA-N 1 0 395.528 3.563 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OCC)c(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629255 881386342 /nfs/dbraw/zinc/38/63/42/881386342.db2.gz AUMJXPFTOBYIDW-QGZVFWFLSA-N 1 0 393.491 3.819 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OCC)c(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629253 881387593 /nfs/dbraw/zinc/38/75/93/881387593.db2.gz AUMJXPFTOBYIDW-KRWDZBQOSA-N 1 0 393.491 3.819 20 30 GHEDRO C=CCC1([NH2+]CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CCCCC1 ZINC000625935797 859193801 /nfs/dbraw/zinc/19/38/01/859193801.db2.gz NTBDLPSBDITSPH-UHFFFAOYSA-N 1 0 377.916 3.572 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)c1 ZINC000596988720 859229770 /nfs/dbraw/zinc/22/97/70/859229770.db2.gz JGALPIZTQQPGFI-HSZRJFAPSA-N 1 0 378.472 3.769 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000466709700 859232670 /nfs/dbraw/zinc/23/26/70/859232670.db2.gz GCGRFPQTZBWTCR-QFIPXVFZSA-N 1 0 396.531 3.740 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CCCN(C(=O)Cc4cccc(F)c4)CC3)cc2)CC1 ZINC000596996146 859235937 /nfs/dbraw/zinc/23/59/37/859235937.db2.gz QPJIBPJHHQPHOC-UHFFFAOYSA-N 1 0 391.490 3.658 20 30 GHEDRO N#Cc1ccc(N2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)cc1 ZINC001168716674 859237554 /nfs/dbraw/zinc/23/75/54/859237554.db2.gz OJGUSVRKWJPHSI-UHFFFAOYSA-N 1 0 388.515 3.507 20 30 GHEDRO N#CC1(NC(=O)[C@H]2Cc3ccc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000601413264 859244941 /nfs/dbraw/zinc/24/49/41/859244941.db2.gz WOBZWXPDWQWVBO-FQEVSTJZSA-N 1 0 379.891 3.654 20 30 GHEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000483257347 859251023 /nfs/dbraw/zinc/25/10/23/859251023.db2.gz HFRZWIYAMZUPKT-UHFFFAOYSA-N 1 0 380.540 3.610 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000543674417 859364684 /nfs/dbraw/zinc/36/46/84/859364684.db2.gz TUXFSSJJRUVXDE-RPCJCACASA-N 1 0 398.551 3.620 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)CC2(C#N)CCCCC2)CCOCC1)c1ccccc1 ZINC000597235469 859368409 /nfs/dbraw/zinc/36/84/09/859368409.db2.gz HHHHCQNXBGQYDR-IBGZPJMESA-N 1 0 383.536 3.867 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(-c2ccncc2)n1 ZINC000597224766 859374966 /nfs/dbraw/zinc/37/49/66/859374966.db2.gz JUESNDDIXFVNLM-FPOVZHCZSA-N 1 0 379.508 3.640 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000428572809 859406114 /nfs/dbraw/zinc/40/61/14/859406114.db2.gz NLEVMGSQTNLAPW-UHFFFAOYSA-N 1 0 399.498 3.686 20 30 GHEDRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593329812 859430152 /nfs/dbraw/zinc/43/01/52/859430152.db2.gz CJTOSXMSJSQBDF-JOCHJYFZSA-N 1 0 376.504 3.973 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cccc4cccnc43)CC2)c1 ZINC000593329737 859430300 /nfs/dbraw/zinc/43/03/00/859430300.db2.gz BGGBCACJLZDLOP-UHFFFAOYSA-N 1 0 399.498 3.570 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000593330981 859432067 /nfs/dbraw/zinc/43/20/67/859432067.db2.gz PAXPQDVHPTZARJ-FGZHOGPDSA-N 1 0 392.478 3.517 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1F ZINC000597336367 859445560 /nfs/dbraw/zinc/44/55/60/859445560.db2.gz ZVXWTZPOLUFWIP-QHCPKHFHSA-N 1 0 395.453 3.965 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000764575457 859513119 /nfs/dbraw/zinc/51/31/19/859513119.db2.gz UFYBSZDMNOTABP-FDDCHVKYSA-N 1 0 382.479 3.562 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3cccc(Cl)c3F)CC2)c1 ZINC000593348320 859520902 /nfs/dbraw/zinc/52/09/02/859520902.db2.gz KREBXARYJKTRKQ-UHFFFAOYSA-N 1 0 385.870 3.674 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC2CC2)c1 ZINC000597425592 859528698 /nfs/dbraw/zinc/52/86/98/859528698.db2.gz FUYPDFYBLSQQKF-UHFFFAOYSA-N 1 0 390.535 3.681 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccn(C4CCCCC4)n3)CC2)c1 ZINC000593351596 859528908 /nfs/dbraw/zinc/52/89/08/859528908.db2.gz NGTFWJKVPKNCPV-UHFFFAOYSA-N 1 0 391.519 3.654 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593352660 859536098 /nfs/dbraw/zinc/53/60/98/859536098.db2.gz KJBHTEKPQYOWBZ-VGSWGCGISA-N 1 0 391.515 3.988 20 30 GHEDRO Cc1ccc(OCCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C ZINC000593352878 859537070 /nfs/dbraw/zinc/53/70/70/859537070.db2.gz DRGOGENLAYVLNX-UHFFFAOYSA-N 1 0 391.515 3.725 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)c(F)cc3Cl)CC2)c1 ZINC000593353197 859538869 /nfs/dbraw/zinc/53/88/69/859538869.db2.gz PSLSLVREXOXSBY-UHFFFAOYSA-N 1 0 389.833 3.884 20 30 GHEDRO CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000597436251 859538985 /nfs/dbraw/zinc/53/89/85/859538985.db2.gz FROJBYWEPPQYID-LEWJYISDSA-N 1 0 388.600 3.646 20 30 GHEDRO COc1ccc([C@H](C)CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593353365 859547882 /nfs/dbraw/zinc/54/78/82/859547882.db2.gz KZHYPYGMFCVSPC-GOSISDBHSA-N 1 0 391.515 3.841 20 30 GHEDRO CC(C)(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1F ZINC000593353828 859549999 /nfs/dbraw/zinc/54/99/99/859549999.db2.gz GKUJCYYFHLSUPE-UHFFFAOYSA-N 1 0 379.479 3.756 20 30 GHEDRO C[C@@H]1CCc2c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)csc2C1 ZINC000060575693 859572514 /nfs/dbraw/zinc/57/25/14/859572514.db2.gz GSSRYTQTPYOMIX-MRXNPFEDSA-N 1 0 381.545 3.949 20 30 GHEDRO C[C@@H](CC#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000597469578 859577254 /nfs/dbraw/zinc/57/72/54/859577254.db2.gz XKXYXCQCSQREGZ-IBGZPJMESA-N 1 0 376.504 3.540 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000601905851 859623314 /nfs/dbraw/zinc/62/33/14/859623314.db2.gz WIXVQHDJPIHSAX-UHFFFAOYSA-N 1 0 390.535 3.681 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H]([NH+]3CCCC3)C2)c1=S ZINC000764962894 859711287 /nfs/dbraw/zinc/71/12/87/859711287.db2.gz MUBNEWICHDUXIP-GOSISDBHSA-N 1 0 383.565 3.703 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000611347923 859722151 /nfs/dbraw/zinc/72/21/51/859722151.db2.gz RXUJSBDUJUHVEP-JOCHJYFZSA-N 1 0 385.515 3.759 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1cccc(C#N)c1 ZINC000611388453 859732107 /nfs/dbraw/zinc/73/21/07/859732107.db2.gz OMSSZDRJHVTUSB-LBPRGKRZSA-N 1 0 392.322 3.691 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1cccc(C#N)c1 ZINC000611389089 859732927 /nfs/dbraw/zinc/73/29/27/859732927.db2.gz QLQZJNMYVRMJHS-BEFAXECRSA-N 1 0 388.427 3.773 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCCC2)nc1-c1cccs1 ZINC000765007969 859734870 /nfs/dbraw/zinc/73/48/70/859734870.db2.gz HCXDYWZTLSLGOW-INIZCTEOSA-N 1 0 389.594 3.846 20 30 GHEDRO C[C@@]1(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000593402605 859741986 /nfs/dbraw/zinc/74/19/86/859741986.db2.gz KEHNFQLGQGTYAO-OAQYLSRUSA-N 1 0 382.895 3.675 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000765016000 859744953 /nfs/dbraw/zinc/74/49/53/859744953.db2.gz UTZGNKVMVSFKLK-QGZVFWFLSA-N 1 0 383.517 3.584 20 30 GHEDRO COCCOCc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000611468536 859772181 /nfs/dbraw/zinc/77/21/81/859772181.db2.gz PRZBOCNUMZGRQZ-UHFFFAOYSA-N 1 0 379.504 3.798 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000611503178 859787463 /nfs/dbraw/zinc/78/74/63/859787463.db2.gz PRNKULKRVFRKKR-PXNSSMCTSA-N 1 0 386.540 3.513 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000118546067 859859415 /nfs/dbraw/zinc/85/94/15/859859415.db2.gz USBIPJAPBIIYTF-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000597856419 859874057 /nfs/dbraw/zinc/87/40/57/859874057.db2.gz XCOBDKISHHWNQD-SFHVURJKSA-N 1 0 391.515 3.987 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000602376796 859977130 /nfs/dbraw/zinc/97/71/30/859977130.db2.gz ZUSYGGNLIPIARU-SUMWQHHRSA-N 1 0 383.323 3.931 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(Cn4cnc5ccccc54)cc3)n2c1 ZINC000123517474 859987775 /nfs/dbraw/zinc/98/77/75/859987775.db2.gz ZDVZKDXGRWAWMZ-UHFFFAOYSA-N 1 0 392.466 3.894 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N=Nc3ccc(Br)cn3)CC2)cc1 ZINC000727263210 860020206 /nfs/dbraw/zinc/02/02/06/860020206.db2.gz RSTXAOMNLONMNE-UHFFFAOYSA-N 1 0 384.281 3.780 20 30 GHEDRO CC[C@H](c1ccncc1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513127 860083496 /nfs/dbraw/zinc/08/34/96/860083496.db2.gz XLTZWWBQXJNZLO-JOCHJYFZSA-N 1 0 391.519 3.710 20 30 GHEDRO CC(C)(C)[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593513202 860083588 /nfs/dbraw/zinc/08/35/88/860083588.db2.gz FEQVUALSVHUFNR-FQEVSTJZSA-N 1 0 382.552 3.990 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000602548903 860095883 /nfs/dbraw/zinc/09/58/83/860095883.db2.gz WSMQTCXVCPJHMZ-CVEARBPZSA-N 1 0 392.341 3.716 20 30 GHEDRO CC[C@@H](C)[C@H]([NH2+]Cc1cccc(C#N)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000602535792 860104877 /nfs/dbraw/zinc/10/48/77/860104877.db2.gz SKOWTPJEQYDCNX-VGSWGCGISA-N 1 0 391.519 3.696 20 30 GHEDRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)CC2)cs1 ZINC000602559793 860112034 /nfs/dbraw/zinc/11/20/34/860112034.db2.gz VPEMJCZNWXWAOZ-KRWDZBQOSA-N 1 0 390.597 3.606 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000602564826 860116617 /nfs/dbraw/zinc/11/66/17/860116617.db2.gz ONXLKKARBGVSPE-GJZGRUSLSA-N 1 0 396.354 3.904 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)Oc1ccc(Br)cc1 ZINC000602570249 860120681 /nfs/dbraw/zinc/12/06/81/860120681.db2.gz SDKWBPDRTOKLMU-HUUCEWRRSA-N 1 0 381.314 3.905 20 30 GHEDRO Cc1nc(-c2cccc(-c3noc(C4CC5(C4)C[NH2+]C[C@@H]5C#N)n3)c2)cs1 ZINC000904103769 860126956 /nfs/dbraw/zinc/12/69/56/860126956.db2.gz FIGOVWYDYNZSRT-NGEICVOHSA-N 1 0 377.473 3.775 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000598222082 860167326 /nfs/dbraw/zinc/16/73/26/860167326.db2.gz ZXRPYEWZZMUBFV-GOSISDBHSA-N 1 0 393.487 3.867 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)CCOCC2)c1 ZINC000598245962 860185472 /nfs/dbraw/zinc/18/54/72/860185472.db2.gz LUCOOKAUFRYTMQ-UHFFFAOYSA-N 1 0 389.499 3.590 20 30 GHEDRO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000484634287 860185824 /nfs/dbraw/zinc/18/58/24/860185824.db2.gz GJCZJXUHQXLUFS-YADHBBJMSA-N 1 0 398.528 3.620 20 30 GHEDRO N#Cc1ccc(Oc2nc(N3C[C@@H](CC[NH3+])c4ccccc43)ncc2F)cc1 ZINC001168544009 860189785 /nfs/dbraw/zinc/18/97/85/860189785.db2.gz KWIMXGDZLJQLST-OAHLLOKOSA-N 1 0 375.407 3.864 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000602711757 860225325 /nfs/dbraw/zinc/22/53/25/860225325.db2.gz KLYKZHTVBYOCSG-XMSQKQJNSA-N 1 0 386.536 3.975 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(N3CCOCC3=O)c2)CC1 ZINC001170371941 881533020 /nfs/dbraw/zinc/53/30/20/881533020.db2.gz PFAHTYXKOMADAK-UHFFFAOYSA-N 1 0 389.499 3.544 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000474572252 860368128 /nfs/dbraw/zinc/36/81/28/860368128.db2.gz BIMVWISTMCOQBY-UHFFFAOYSA-N 1 0 397.544 3.528 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)cn2)cc1 ZINC000765665139 860384291 /nfs/dbraw/zinc/38/42/91/860384291.db2.gz ZJJXAOYAWRKJJE-IBGZPJMESA-N 1 0 391.475 3.884 20 30 GHEDRO Cc1cc(N2CCC([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)ncn1 ZINC001170373528 881534153 /nfs/dbraw/zinc/53/41/53/881534153.db2.gz HDQRLYWWSBTVLC-UHFFFAOYSA-N 1 0 375.520 3.748 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000552271244 860414321 /nfs/dbraw/zinc/41/43/21/860414321.db2.gz ZBCZLPILEYMZPX-YSIASYRMSA-N 1 0 381.476 3.648 20 30 GHEDRO CC(C)[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H](O)CC(C)(C)C#N ZINC000598601625 860430466 /nfs/dbraw/zinc/43/04/66/860430466.db2.gz VJULPWKORRBONE-CQSZACIVSA-N 1 0 376.888 3.901 20 30 GHEDRO N#Cc1ccnc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000499992661 860430622 /nfs/dbraw/zinc/43/06/22/860430622.db2.gz PDQOQXHWKVMCQO-UHFFFAOYSA-N 1 0 384.483 3.776 20 30 GHEDRO CCCC1CCC([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000484882019 860434600 /nfs/dbraw/zinc/43/46/00/860434600.db2.gz NVVOBMQIVWJWFO-UHFFFAOYSA-N 1 0 379.508 3.973 20 30 GHEDRO N#Cc1c(C#N)c(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc2c1CCCCCC2 ZINC000330025864 860468959 /nfs/dbraw/zinc/46/89/59/860468959.db2.gz BDASMGZPNMEUKC-GOSISDBHSA-N 1 0 377.536 3.939 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)nc1 ZINC000330063772 860472851 /nfs/dbraw/zinc/47/28/51/860472851.db2.gz BSOXXJCROHJIHO-UHFFFAOYSA-N 1 0 390.487 3.836 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000598646128 860479834 /nfs/dbraw/zinc/47/98/34/860479834.db2.gz LDRYHUWDXIHJJK-UWJYYQICSA-N 1 0 380.488 3.596 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)CC1 ZINC000729975742 860480139 /nfs/dbraw/zinc/48/01/39/860480139.db2.gz RIRQEPYOSKWTPQ-FQEVSTJZSA-N 1 0 397.563 3.539 20 30 GHEDRO CC(C)[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025535641 860535170 /nfs/dbraw/zinc/53/51/70/860535170.db2.gz XARZVYYNZRPUAA-MBSDFSHPSA-N 1 0 391.515 3.525 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN([C@H](C#N)c3ccc(Cl)cc3)C2)ccn1 ZINC000856583637 881551834 /nfs/dbraw/zinc/55/18/34/881551834.db2.gz MXKUZEXXSNPIFC-NHCUHLMSSA-N 1 0 384.911 3.905 20 30 GHEDRO COC(=O)c1ccc([C@H](CO)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170377236 881552022 /nfs/dbraw/zinc/55/20/22/881552022.db2.gz XNGFSAPWWLADEJ-QKDPSFTKSA-N 1 0 378.472 3.500 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000155653456 860568193 /nfs/dbraw/zinc/56/81/93/860568193.db2.gz VWGJQYNHRWRWBY-KRWDZBQOSA-N 1 0 394.544 3.528 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)ccn1 ZINC000856585601 881558255 /nfs/dbraw/zinc/55/82/55/881558255.db2.gz KBUMRNLBQQYXHL-NRFANRHFSA-N 1 0 384.911 3.712 20 30 GHEDRO CO[C@]1(C)C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1(C)C ZINC001170384226 881560959 /nfs/dbraw/zinc/56/09/59/881560959.db2.gz BCLQCTCNVSHREJ-GQNMWPQZSA-N 1 0 389.565 3.866 20 30 GHEDRO CCN(C)c1ncnc2c1CC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170384209 881561114 /nfs/dbraw/zinc/56/11/14/881561114.db2.gz WAYNSTVVIANCNH-UHFFFAOYSA-N 1 0 389.547 3.737 20 30 GHEDRO Cc1c(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cnn1CCC#N ZINC000896293067 860633071 /nfs/dbraw/zinc/63/30/71/860633071.db2.gz ADKUZJAUIOAUHT-XLIONFOSSA-N 1 0 381.524 3.601 20 30 GHEDRO COC(=O)c1cnc2c(c1)C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170402861 881567269 /nfs/dbraw/zinc/56/72/69/881567269.db2.gz BMEYPZZHHQOUSH-UHFFFAOYSA-N 1 0 375.472 3.630 20 30 GHEDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3Br)C2)n1 ZINC000922862630 860688218 /nfs/dbraw/zinc/68/82/18/860688218.db2.gz OPMOICYAOLPNCL-GXTWGEPZSA-N 1 0 375.270 3.692 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000429017421 860701972 /nfs/dbraw/zinc/70/19/72/860701972.db2.gz FLGYIHCTWNPRNB-PZJWPPBQSA-N 1 0 383.536 3.687 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N2CCc3c(CC#N)cccc3C2)[NH+]2CCCC2)o1 ZINC000598979553 860712286 /nfs/dbraw/zinc/71/22/86/860712286.db2.gz ZYMQSLWTLPHZFA-OAQYLSRUSA-N 1 0 392.503 3.559 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cnc4cc(Cl)ccc4n3)CC2)cc1 ZINC000599015508 860739641 /nfs/dbraw/zinc/73/96/41/860739641.db2.gz GVIWIWBOPNVOPA-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489815725 860760263 /nfs/dbraw/zinc/76/02/63/860760263.db2.gz ZMDNJLXVAONFAV-DEOSSOPVSA-N 1 0 391.559 3.991 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000603557437 860808712 /nfs/dbraw/zinc/80/87/12/860808712.db2.gz CPUYCRWMVAETPE-MRXNPFEDSA-N 1 0 397.906 3.760 20 30 GHEDRO C[C@@H]1CN(CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000237614314 881586245 /nfs/dbraw/zinc/58/62/45/881586245.db2.gz BOQQEZNESBCGQK-BGYRXZFFSA-N 1 0 393.531 3.726 20 30 GHEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262273634 860924343 /nfs/dbraw/zinc/92/43/43/860924343.db2.gz UIUQEOPGRFPYKB-XUVXKRRUSA-N 1 0 380.540 3.600 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000593714652 860946783 /nfs/dbraw/zinc/94/67/83/860946783.db2.gz ZUSAJEBYIPQNPN-UHFFFAOYSA-N 1 0 391.302 3.854 20 30 GHEDRO Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(OC[C@H]2CCCO2)c1 ZINC000329033975 860963589 /nfs/dbraw/zinc/96/35/89/860963589.db2.gz BVNKTTOIYCFDND-RBUKOAKNSA-N 1 0 387.524 3.659 20 30 GHEDRO C[C@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1nc2ccccc2n1C(F)F ZINC000329037697 860966641 /nfs/dbraw/zinc/96/66/41/860966641.db2.gz CQEICPPFDQWNLE-AWEZNQCLSA-N 1 0 391.466 3.967 20 30 GHEDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593719294 860978567 /nfs/dbraw/zinc/97/85/67/860978567.db2.gz BCWRWNSWBYXPHE-IRLDBZIGSA-N 1 0 377.536 3.572 20 30 GHEDRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599273129 860997733 /nfs/dbraw/zinc/99/77/33/860997733.db2.gz OECFUDNPCRGRAW-GOSISDBHSA-N 1 0 395.341 3.731 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc([S@](C)=O)cc1 ZINC000593719996 861000816 /nfs/dbraw/zinc/00/08/16/861000816.db2.gz DWUXUMZXHZTLIG-SOKVYYICSA-N 1 0 381.545 3.611 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H](O)COc1ccccc1C#N ZINC000599282200 861008615 /nfs/dbraw/zinc/00/86/15/861008615.db2.gz OYPZYWZSSWAUHH-HXUWFJFHSA-N 1 0 391.471 3.518 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000593723511 861020041 /nfs/dbraw/zinc/02/00/41/861020041.db2.gz WUOFASPLMLEKIE-OAHLLOKOSA-N 1 0 376.460 3.720 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000599312794 861032019 /nfs/dbraw/zinc/03/20/19/861032019.db2.gz TWQWOMCUSGXTKU-GDBMZVCRSA-N 1 0 399.318 3.518 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185600482 861054803 /nfs/dbraw/zinc/05/48/03/861054803.db2.gz SOURIBAUFCLBAQ-BEFAXECRSA-N 1 0 383.879 3.741 20 30 GHEDRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599316946 861056584 /nfs/dbraw/zinc/05/65/84/861056584.db2.gz RTJHQOCYLPAOTE-UKRRQHHQSA-N 1 0 383.319 3.984 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CCOCC1 ZINC000599332327 861072935 /nfs/dbraw/zinc/07/29/35/861072935.db2.gz SRFKWDIUUCYPEM-QHCPKHFHSA-N 1 0 391.515 3.784 20 30 GHEDRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)c1ccc2ccccc2c1 ZINC000329162814 861090741 /nfs/dbraw/zinc/09/07/41/861090741.db2.gz GDLYHWVTIQYVTL-HRAATJIYSA-N 1 0 379.504 3.595 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)c1 ZINC000329199722 861128924 /nfs/dbraw/zinc/12/89/24/861128924.db2.gz BBZOXRPZJGPBKX-KKSFZXQISA-N 1 0 387.524 3.646 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cccc(-c4nc[nH]n4)c3)CCCCC2)CCO1 ZINC000329206235 861139466 /nfs/dbraw/zinc/13/94/66/861139466.db2.gz XJBQBCLMYLGMLR-UHFFFAOYSA-N 1 0 397.523 3.590 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CCOCC1 ZINC000599419677 861162302 /nfs/dbraw/zinc/16/23/02/861162302.db2.gz SQYFZWYSPLIBGZ-GOSISDBHSA-N 1 0 385.483 3.558 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623530447 861162414 /nfs/dbraw/zinc/16/24/14/861162414.db2.gz YUGUZAGRJOVVGY-GXFFZTMASA-N 1 0 375.284 3.702 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1OC ZINC000623540649 861181518 /nfs/dbraw/zinc/18/15/18/861181518.db2.gz AMSBRTASHLPPFG-CRAIPNDOSA-N 1 0 391.899 3.657 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)C(C)C ZINC000062205192 863070764 /nfs/dbraw/zinc/07/07/64/863070764.db2.gz WITLMJBNKZVOMT-MRXNPFEDSA-N 1 0 398.334 3.747 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)c1 ZINC000733800090 863193275 /nfs/dbraw/zinc/19/32/75/863193275.db2.gz GWVNMSZVZHMMBI-MRXNPFEDSA-N 1 0 383.883 3.901 20 30 GHEDRO CCC[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001127532833 881637051 /nfs/dbraw/zinc/63/70/51/881637051.db2.gz WLSUJHAXTCQYBX-JOCHJYFZSA-N 1 0 390.531 3.751 20 30 GHEDRO CCCc1c(NC(=O)N(CC[NH+](C)C)CC(C)C)cnn1-c1cccc(C#N)c1 ZINC000439682245 863279741 /nfs/dbraw/zinc/27/97/41/863279741.db2.gz COHZIYKHRWMTNP-UHFFFAOYSA-N 1 0 396.539 3.748 20 30 GHEDRO CCCc1c(NC(=O)NCC[N@H+](C)[C@@H](C)CC)cnn1-c1cccc(C#N)c1 ZINC000439675539 863302508 /nfs/dbraw/zinc/30/25/08/863302508.db2.gz RRYDYDAYAMNONM-INIZCTEOSA-N 1 0 382.512 3.548 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000281685245 863325516 /nfs/dbraw/zinc/32/55/16/863325516.db2.gz BBAMZVXLGKJVDO-VXKWHMMOSA-N 1 0 385.552 3.521 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCC(C)(C)CC1 ZINC000262384867 863380183 /nfs/dbraw/zinc/38/01/83/863380183.db2.gz LDURUYAHFDIBJR-AOIWGVFYSA-N 1 0 397.629 3.504 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC23CCOCC3)ccc1Cl ZINC000281933542 863494542 /nfs/dbraw/zinc/49/45/42/863494542.db2.gz DLMUHQUYGVRGCT-IBGZPJMESA-N 1 0 389.927 3.834 20 30 GHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508465267 863542841 /nfs/dbraw/zinc/54/28/41/863542841.db2.gz PPPFWWFOYTWRKH-UHFFFAOYSA-N 1 0 397.548 3.767 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000598266685 881672553 /nfs/dbraw/zinc/67/25/53/881672553.db2.gz ZHENVBRJNSQDDA-QGZVFWFLSA-N 1 0 381.476 3.580 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000444210445 863669416 /nfs/dbraw/zinc/66/94/16/863669416.db2.gz FPBQRVDYSPMWRC-FCHUYYIVSA-N 1 0 396.579 3.746 20 30 GHEDRO N#Cc1cc(NCCCC[NH+]2CCN(c3ccccc3)CC2)nc2ccccc12 ZINC000522903332 863690026 /nfs/dbraw/zinc/69/00/26/863690026.db2.gz HCORSVLDSGEXNV-UHFFFAOYSA-N 1 0 385.515 3.543 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC000594031355 863794221 /nfs/dbraw/zinc/79/42/21/863794221.db2.gz LWYUGPBHDBAOTH-QGZVFWFLSA-N 1 0 392.503 3.656 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@@H]1CCCCO1 ZINC000594044455 863890642 /nfs/dbraw/zinc/89/06/42/863890642.db2.gz REEMYWZDOWVBQB-PMACEKPBSA-N 1 0 386.540 3.968 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)s2)cc1 ZINC000594060190 863969754 /nfs/dbraw/zinc/96/97/54/863969754.db2.gz FLIXBYIPWIDUJT-OALUTQOASA-N 1 0 395.532 3.744 20 30 GHEDRO CC[NH+]=C(NCc1cccnc1-n1ccnc1)N1CC[C@H](c2ccccc2C)C1 ZINC000262421702 864033849 /nfs/dbraw/zinc/03/38/49/864033849.db2.gz BEVBDTCORRBBOR-FQEVSTJZSA-N 1 0 388.519 3.531 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000184087240 864054389 /nfs/dbraw/zinc/05/43/89/864054389.db2.gz FCVWHQGXRQWMBD-LJQANCHMSA-N 1 0 396.466 3.856 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000734215198 864088561 /nfs/dbraw/zinc/08/85/61/864088561.db2.gz FHYQWLVJOGZQOE-JOCHJYFZSA-N 1 0 391.515 3.643 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000734215277 864089247 /nfs/dbraw/zinc/08/92/47/864089247.db2.gz HQJFFARNAIHAAS-SFHVURJKSA-N 1 0 379.504 3.627 20 30 GHEDRO CCOC(=O)c1sc2ccccc2c1CN1CC[NH+](CCCCC#N)CC1 ZINC001168338471 881734676 /nfs/dbraw/zinc/73/46/76/881734676.db2.gz FADQWOBNHWHLKN-UHFFFAOYSA-N 1 0 385.533 3.889 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000734388408 864208093 /nfs/dbraw/zinc/20/80/93/864208093.db2.gz UQADBBOVASGNGP-KSSFIOAISA-N 1 0 394.972 3.635 20 30 GHEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000184273250 864298180 /nfs/dbraw/zinc/29/81/80/864298180.db2.gz JPFXRMREZRUKSZ-NSHDSACASA-N 1 0 381.226 3.644 20 30 GHEDRO C=CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccncc1 ZINC000734679950 864379597 /nfs/dbraw/zinc/37/95/97/864379597.db2.gz LFBCJQYOYFJFPJ-HXUWFJFHSA-N 1 0 388.462 3.750 20 30 GHEDRO CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001142586965 864396457 /nfs/dbraw/zinc/39/64/57/864396457.db2.gz WHWSRJWEJUJEIG-JOCHJYFZSA-N 1 0 375.516 3.685 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734844461 864472741 /nfs/dbraw/zinc/47/27/41/864472741.db2.gz YMZIWFISRVZNLJ-PMACEKPBSA-N 1 0 391.437 3.661 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2nc(C)ncc21 ZINC000734851537 864480891 /nfs/dbraw/zinc/48/08/91/864480891.db2.gz DMHHWDCSNGQNCQ-QGZVFWFLSA-N 1 0 386.293 3.727 20 30 GHEDRO CC[N@H+](CCCC(=O)N[C@@H](C#N)c1ccccc1)[C@H](C)Cc1ccc(O)cc1 ZINC001183046463 912213778 /nfs/dbraw/zinc/21/37/78/912213778.db2.gz SBXBCQAAWFSCHM-GCJKJVERSA-N 1 0 379.504 3.806 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(=NNC(=S)Nc3ccccc3F)CC2)cc1 ZINC000063358524 864591990 /nfs/dbraw/zinc/59/19/90/864591990.db2.gz SGYFEOIBYFTWFA-UHFFFAOYSA-N 1 0 381.480 3.636 20 30 GHEDRO COc1ccc(N2CCC[N@H+](Cc3cc(Cl)ccc3OCC#N)CC2)cc1 ZINC000735308935 864717027 /nfs/dbraw/zinc/71/70/27/864717027.db2.gz YYELWUXIVARNIY-UHFFFAOYSA-N 1 0 385.895 3.963 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000025937575 864809738 /nfs/dbraw/zinc/80/97/38/864809738.db2.gz IWMIMCZMIJXKTP-UHFFFAOYSA-N 1 0 377.488 3.937 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1cc2ccccc2c(OC)c1)C1CC[NH+](C)CC1 ZINC000898912893 864874767 /nfs/dbraw/zinc/87/47/67/864874767.db2.gz ONSYPVVPVKTTDE-KRWDZBQOSA-N 1 0 379.504 3.648 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc(OC)c1O ZINC000120951952 881815731 /nfs/dbraw/zinc/81/57/31/881815731.db2.gz SKCNNTPISYUCKF-UHFFFAOYSA-N 1 0 394.515 3.658 20 30 GHEDRO C[NH+](C)Cc1cc(-c2noc(-c3ccn(-c4cccc(C#N)c4)n3)n2)ccc1F ZINC000554805961 864958668 /nfs/dbraw/zinc/95/86/68/864958668.db2.gz ODCOEFSWYJHWBH-UHFFFAOYSA-N 1 0 388.406 3.662 20 30 GHEDRO [NH2+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)Nc1cccc2c1CCCC2 ZINC000262488690 864991230 /nfs/dbraw/zinc/99/12/30/864991230.db2.gz UBQAAHBCBCOSFZ-UHFFFAOYSA-N 1 0 388.397 3.554 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184984323 865097009 /nfs/dbraw/zinc/09/70/09/865097009.db2.gz ITXLUHGQXRNWKU-PZJWPPBQSA-N 1 0 378.497 3.933 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000480680440 865102679 /nfs/dbraw/zinc/10/26/79/865102679.db2.gz OFDAPLFEPQIXMG-QFIPXVFZSA-N 1 0 387.527 3.788 20 30 GHEDRO Cn1cc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc21 ZINC000186412280 865230359 /nfs/dbraw/zinc/23/03/59/865230359.db2.gz NNYSDQFCFSRIAX-UHFFFAOYSA-N 1 0 390.506 3.986 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000171717536 865343293 /nfs/dbraw/zinc/34/32/93/865343293.db2.gz YOIYNQABMAHBOD-NRFANRHFSA-N 1 0 397.494 3.895 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000171717537 865343789 /nfs/dbraw/zinc/34/37/89/865343789.db2.gz YOIYNQABMAHBOD-OAQYLSRUSA-N 1 0 397.494 3.895 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1 ZINC000171726208 865346399 /nfs/dbraw/zinc/34/63/99/865346399.db2.gz OHBAVFWAYXPTCM-UHFFFAOYSA-N 1 0 380.517 3.776 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CCC(C[NH+](CC)CC)CC2)c1=S ZINC000738070135 865478590 /nfs/dbraw/zinc/47/85/90/865478590.db2.gz BTJGAYICIBSCOG-UHFFFAOYSA-N 1 0 389.569 3.871 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNc2cccc(C#N)c2)C1 ZINC000494542603 881886248 /nfs/dbraw/zinc/88/62/48/881886248.db2.gz CYKUWBGZWPQNQQ-SFHVURJKSA-N 1 0 376.504 3.518 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000475692320 881886559 /nfs/dbraw/zinc/88/65/59/881886559.db2.gz ANKYLBSJXUCKCS-UHFFFAOYSA-N 1 0 391.393 3.598 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000739026518 865679764 /nfs/dbraw/zinc/67/97/64/865679764.db2.gz WUJBYNHLKTZNTD-FQEVSTJZSA-N 1 0 384.524 3.527 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000608812502 865718280 /nfs/dbraw/zinc/71/82/80/865718280.db2.gz QVHKGLMSXUTYHF-IAGOWNOFSA-N 1 0 381.476 3.580 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000608794069 865730265 /nfs/dbraw/zinc/73/02/65/865730265.db2.gz JDGUGSSDTUSROD-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555238235 865739113 /nfs/dbraw/zinc/73/91/13/865739113.db2.gz IHPHCJJZNDXMHO-GOSISDBHSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CCOc1ccc(C[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C(C)(C)C)cc1 ZINC000447855846 865761497 /nfs/dbraw/zinc/76/14/97/865761497.db2.gz VMEFHYGJRDWUNN-OAQYLSRUSA-N 1 0 386.536 3.632 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000173206391 865776190 /nfs/dbraw/zinc/77/61/90/865776190.db2.gz LFHBFLYVGZZETD-OALUTQOASA-N 1 0 387.487 3.858 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000739858708 865803141 /nfs/dbraw/zinc/80/31/41/865803141.db2.gz PHWAYJCNGPLSBA-HXUWFJFHSA-N 1 0 375.501 3.873 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000481161924 865898559 /nfs/dbraw/zinc/89/85/59/865898559.db2.gz BZPJKAMYGDAIHJ-UNMCSNQZSA-N 1 0 382.529 3.723 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000481165499 865903137 /nfs/dbraw/zinc/90/31/37/865903137.db2.gz BYJPZUIRXPAULL-DYESRHJHSA-N 1 0 387.487 3.608 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)CC1 ZINC000740736485 865973870 /nfs/dbraw/zinc/97/38/70/865973870.db2.gz WHUDDLRFAYMCLB-UHFFFAOYSA-N 1 0 388.511 3.752 20 30 GHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456008830 865985028 /nfs/dbraw/zinc/98/50/28/865985028.db2.gz FBQZSYPYLSAOIT-UHFFFAOYSA-N 1 0 390.531 3.897 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)CC1 ZINC000740739197 865988776 /nfs/dbraw/zinc/98/87/76/865988776.db2.gz YYUMDFFYVRBTLW-UHFFFAOYSA-N 1 0 381.545 3.953 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+](CCO)[C@H]3CCCSC3)c2)c1 ZINC000475511381 866134994 /nfs/dbraw/zinc/13/49/94/866134994.db2.gz SAWBRPYOZCMFJR-NRFANRHFSA-N 1 0 382.529 3.827 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1cccc(OCC#N)c1 ZINC000761625809 881951994 /nfs/dbraw/zinc/95/19/94/881951994.db2.gz XYYBZTFLLXVIBY-QZTJIDSGSA-N 1 0 392.503 3.867 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1-n1cccn1 ZINC000183142189 866267455 /nfs/dbraw/zinc/26/74/55/866267455.db2.gz UIQXWDOFTDWPDJ-FSTYKVKCSA-N 1 0 393.535 3.842 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456266395 866328970 /nfs/dbraw/zinc/32/89/70/866328970.db2.gz IEIZRVGFYUDHBC-NRFANRHFSA-N 1 0 379.508 3.534 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC3([C@@H]4CCCCO4)CCC3)CC2)c1 ZINC001168074369 866464161 /nfs/dbraw/zinc/46/41/61/866464161.db2.gz RFBSDEBBVDQICM-NRFANRHFSA-N 1 0 381.520 3.948 20 30 GHEDRO Cc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CCCCC2)[NH+]2CCCC2)cc1 ZINC000475588558 866464861 /nfs/dbraw/zinc/46/48/61/866464861.db2.gz ILGGRKJFNOLZOH-HXUWFJFHSA-N 1 0 389.565 3.525 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000552947001 866517792 /nfs/dbraw/zinc/51/77/92/866517792.db2.gz FRARNZHSMSLGHB-WZONZLPQSA-N 1 0 379.504 3.971 20 30 GHEDRO [NH2+]=C(NCC1(c2ccc(Br)cc2)CCOCC1)N1CCCCCC1 ZINC000305049351 866537548 /nfs/dbraw/zinc/53/75/48/866537548.db2.gz GPQFDWKIMUTBIK-UHFFFAOYSA-N 1 0 394.357 3.688 20 30 GHEDRO COc1cccc([C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCCC2)c1 ZINC000237316808 866626347 /nfs/dbraw/zinc/62/63/47/866626347.db2.gz PMJAHMBGVQCYQJ-MBSDFSHPSA-N 1 0 379.504 3.913 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000111886096 866711236 /nfs/dbraw/zinc/71/12/36/866711236.db2.gz JGYFWQNATBVWHV-UHFFFAOYSA-N 1 0 383.492 3.650 20 30 GHEDRO N#CCC[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000153645202 867001993 /nfs/dbraw/zinc/00/19/93/867001993.db2.gz KABTULJRTQDIQC-HSZRJFAPSA-N 1 0 390.531 3.750 20 30 GHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000444670197 867042441 /nfs/dbraw/zinc/04/24/41/867042441.db2.gz AJIUGIIGPRNDMZ-LJQANCHMSA-N 1 0 389.565 3.563 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cc(F)cc(F)c1 ZINC000444706433 867095782 /nfs/dbraw/zinc/09/57/82/867095782.db2.gz WNTZPFJGUFOHKM-UHFFFAOYSA-N 1 0 375.444 3.847 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1OC ZINC000189967920 882056666 /nfs/dbraw/zinc/05/66/66/882056666.db2.gz TULQRQFNIGJXPI-ZBFHGGJFSA-N 1 0 384.314 3.663 20 30 GHEDRO CCc1nnc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c1CC ZINC000553335981 867201884 /nfs/dbraw/zinc/20/18/84/867201884.db2.gz CNWVEDBZTJJMOV-QHCPKHFHSA-N 1 0 375.520 3.575 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121353842 882089605 /nfs/dbraw/zinc/08/96/05/882089605.db2.gz YBJSSJNFHHADBQ-QGZVFWFLSA-N 1 0 383.492 3.944 20 30 GHEDRO N#CC1(NC(=O)c2cc3c(s2)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000479305031 867511429 /nfs/dbraw/zinc/51/14/29/867511429.db2.gz GINIOTGOHXXROC-UHFFFAOYSA-N 1 0 379.529 3.915 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000155008502 867705896 /nfs/dbraw/zinc/70/58/96/867705896.db2.gz QFBOKFZJGWCFKK-YOEHRIQHSA-N 1 0 382.426 3.827 20 30 GHEDRO CN(C(=O)C[N@H+](C)CCc1ccc(Br)cc1)C1(C#N)CCCCC1 ZINC000609315836 882124596 /nfs/dbraw/zinc/12/45/96/882124596.db2.gz CGYKATNSYWUTTL-UHFFFAOYSA-N 1 0 392.341 3.608 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H](C)C(=O)NC4(C#N)CCCCC4)C3)nc2c1 ZINC000245665299 867842133 /nfs/dbraw/zinc/84/21/33/867842133.db2.gz GUMLZAOHQQMXEZ-QZTJIDSGSA-N 1 0 393.535 3.782 20 30 GHEDRO C[N@H+](CCCCNC(=O)c1cccc(COc2ccccc2C#N)c1)C1CC1 ZINC000457204953 867845574 /nfs/dbraw/zinc/84/55/74/867845574.db2.gz QQTGECMBYVEXEQ-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C[N@H+](CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CCCC1 ZINC000523743195 867885505 /nfs/dbraw/zinc/88/55/05/867885505.db2.gz JVNRVIZSJRLUCA-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000743203377 867924547 /nfs/dbraw/zinc/92/45/47/867924547.db2.gz GMIFHRRUIUBFBP-LJQANCHMSA-N 1 0 381.451 3.624 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000743203203 867925520 /nfs/dbraw/zinc/92/55/20/867925520.db2.gz ZDWRYYKBGBQCNZ-APWZRJJASA-N 1 0 381.451 3.795 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000743194194 867939213 /nfs/dbraw/zinc/93/92/13/867939213.db2.gz IRLSXFSZMIXZCU-KRWDZBQOSA-N 1 0 387.480 3.858 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000743202381 867955661 /nfs/dbraw/zinc/95/56/61/867955661.db2.gz GBALDVGRPCNWLC-UHFFFAOYSA-N 1 0 387.499 3.958 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190629580 882144255 /nfs/dbraw/zinc/14/42/55/882144255.db2.gz HOJUBKSEHBOLLG-IFXJQAMLSA-N 1 0 385.414 3.611 20 30 GHEDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)nc1 ZINC000091687404 882151510 /nfs/dbraw/zinc/15/15/10/882151510.db2.gz ZFWDTCNBSQGOPC-KRWDZBQOSA-N 1 0 378.476 3.532 20 30 GHEDRO C=CCN(C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000121528835 882151652 /nfs/dbraw/zinc/15/16/52/882151652.db2.gz DRVFXCKAFWOFSA-KRWDZBQOSA-N 1 0 399.516 3.561 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)CC1 ZINC000743490536 868236091 /nfs/dbraw/zinc/23/60/91/868236091.db2.gz RKBHVYUVWNTUDX-LJQANCHMSA-N 1 0 377.532 3.932 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C12CCCC2 ZINC000743488979 868236166 /nfs/dbraw/zinc/23/61/66/868236166.db2.gz QJZQGXCFMFAMGV-HLAWJBBLSA-N 1 0 383.536 3.958 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000479729700 868404677 /nfs/dbraw/zinc/40/46/77/868404677.db2.gz QKUYAUQRBADMHW-PMACEKPBSA-N 1 0 389.588 3.920 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669807257 868525702 /nfs/dbraw/zinc/52/57/02/868525702.db2.gz VHODRYRCLPRTTI-ROUUACIJSA-N 1 0 399.539 3.533 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000535389287 868678276 /nfs/dbraw/zinc/67/82/76/868678276.db2.gz RZTNUZNXWPPZNZ-UHFFFAOYSA-N 1 0 388.309 3.768 20 30 GHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H]1[NH+]1CCCC1 ZINC000445607587 868711432 /nfs/dbraw/zinc/71/14/32/868711432.db2.gz LREYJEKAFAENCR-CVEARBPZSA-N 1 0 390.915 3.915 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000744438780 868840257 /nfs/dbraw/zinc/84/02/57/868840257.db2.gz SQPJBZJTHPSYBX-GOSISDBHSA-N 1 0 390.524 3.961 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000744445668 868847670 /nfs/dbraw/zinc/84/76/70/868847670.db2.gz FBEXJARJZRCAHJ-UHFFFAOYSA-N 1 0 380.492 3.569 20 30 GHEDRO CCCC(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158065224 868848557 /nfs/dbraw/zinc/84/85/57/868848557.db2.gz YPDSPOZUDRMTFT-QGZVFWFLSA-N 1 0 382.426 3.565 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000554152920 868851402 /nfs/dbraw/zinc/85/14/02/868851402.db2.gz XOFAQADHXLCFAV-UHFFFAOYSA-N 1 0 391.490 3.755 20 30 GHEDRO CC[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NCc1c(C)nn(C)c1C ZINC000262809874 882239938 /nfs/dbraw/zinc/23/99/38/882239938.db2.gz NYWDATSXICXVIZ-UHFFFAOYSA-N 1 0 390.944 3.555 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](C)C1 ZINC000122204966 869006087 /nfs/dbraw/zinc/00/60/87/869006087.db2.gz JNAVRYSUDMWCAF-JPYJTQIMSA-N 1 0 391.515 3.940 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000744812689 869080556 /nfs/dbraw/zinc/08/05/56/869080556.db2.gz QWCXFHHDHRVTRO-FQEVSTJZSA-N 1 0 383.467 3.791 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000744817372 869082481 /nfs/dbraw/zinc/08/24/81/869082481.db2.gz IUHAUCSBLCBGIJ-IBGZPJMESA-N 1 0 385.508 3.869 20 30 GHEDRO Cc1cccn2cc(COc3ccc(C=NNCC[NH+]4CCCCC4)cc3)nc12 ZINC000744999410 869224608 /nfs/dbraw/zinc/22/46/08/869224608.db2.gz QVILPGBOEWHQFY-UHFFFAOYSA-N 1 0 391.519 3.631 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)CC1 ZINC000446063122 869330492 /nfs/dbraw/zinc/33/04/92/869330492.db2.gz PJDJGPMDZLICAI-UHFFFAOYSA-N 1 0 392.528 3.981 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccccc2C)C1)C(C)C ZINC000524778704 869560161 /nfs/dbraw/zinc/56/01/61/869560161.db2.gz PVPBRPDPEFXQJM-FCHUYYIVSA-N 1 0 385.552 3.777 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1=O ZINC000539710769 869642295 /nfs/dbraw/zinc/64/22/95/869642295.db2.gz BKRGJVCDEWJTKE-MOPGFXCFSA-N 1 0 385.305 3.915 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121651461 869728650 /nfs/dbraw/zinc/72/86/50/869728650.db2.gz JXUUUFJRSXQFOM-QGZVFWFLSA-N 1 0 388.581 3.541 20 30 GHEDRO C=CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831911 869869493 /nfs/dbraw/zinc/86/94/93/869869493.db2.gz VKVNCEBXRSPKBV-INIZCTEOSA-N 1 0 378.436 3.628 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1OC ZINC000539863512 869915265 /nfs/dbraw/zinc/91/52/65/869915265.db2.gz ZWOUCWDFRRUEIO-MRXNPFEDSA-N 1 0 386.330 3.861 20 30 GHEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920762395 882364769 /nfs/dbraw/zinc/36/47/69/882364769.db2.gz UYPXMAMDYXSWOE-SFHVURJKSA-N 1 0 377.326 3.657 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)c1 ZINC000920762759 882366806 /nfs/dbraw/zinc/36/68/06/882366806.db2.gz XQWXGYIEJGVONF-IBGZPJMESA-N 1 0 398.304 3.966 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCSc2ccccc21 ZINC000525134462 870060872 /nfs/dbraw/zinc/06/08/72/870060872.db2.gz AOTDDSGZTGCDTC-FQEVSTJZSA-N 1 0 379.529 3.728 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)nc1 ZINC000525170538 870109733 /nfs/dbraw/zinc/10/97/33/870109733.db2.gz YHRQMHDUPCNSSU-IBGZPJMESA-N 1 0 390.487 3.694 20 30 GHEDRO CC[NH+](CC)CCSCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000746289666 870150376 /nfs/dbraw/zinc/15/03/76/870150376.db2.gz QHGISYGXMIKJIS-UHFFFAOYSA-N 1 0 387.574 3.978 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)C2)nc1 ZINC000428800045 870213913 /nfs/dbraw/zinc/21/39/13/870213913.db2.gz FNEYYHHOGNCMIM-INIZCTEOSA-N 1 0 377.366 3.548 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000538687113 870350633 /nfs/dbraw/zinc/35/06/33/870350633.db2.gz PDPVVQBKCRJRQY-UHFFFAOYSA-N 1 0 385.895 3.862 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000446822166 870462285 /nfs/dbraw/zinc/46/22/85/870462285.db2.gz CLAOAMWHNOKMPH-UHFFFAOYSA-N 1 0 381.435 3.611 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000092645213 882410400 /nfs/dbraw/zinc/41/04/00/882410400.db2.gz VVAMJWSFTDFVQM-IBGZPJMESA-N 1 0 378.520 3.511 20 30 GHEDRO C=CC[C@H]1[N@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)CCCC1(C)C ZINC000446825488 870480253 /nfs/dbraw/zinc/48/02/53/870480253.db2.gz CCFWIPIOSFFQNY-QGZVFWFLSA-N 1 0 380.916 3.779 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCC(C)(C(=O)OC)CC1)[C@@H]2CC ZINC001168779269 870586272 /nfs/dbraw/zinc/58/62/72/870586272.db2.gz CVUUTNSMESSQEB-CCMYNQISSA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCC(C)(C(=O)OC)CC1)[C@H]2CC ZINC001168779271 870586599 /nfs/dbraw/zinc/58/65/99/870586599.db2.gz CVUUTNSMESSQEB-JLPSEHFJSA-N 1 0 376.541 3.530 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000248786624 870633337 /nfs/dbraw/zinc/63/33/37/870633337.db2.gz IKDFNZRZAXWPGQ-STZQEDGTSA-N 1 0 376.504 3.851 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNC(=O)CC2CCCC2)c1 ZINC000238120836 870649109 /nfs/dbraw/zinc/64/91/09/870649109.db2.gz MUWGJVVASDWYPA-UHFFFAOYSA-N 1 0 391.515 3.923 20 30 GHEDRO CC[NH+](CC)CCSCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540199794 870710492 /nfs/dbraw/zinc/71/04/92/870710492.db2.gz VZHMNCYJTUKMFV-UHFFFAOYSA-N 1 0 381.545 3.916 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccc(Br)c1)C2 ZINC001203767293 870720381 /nfs/dbraw/zinc/72/03/81/870720381.db2.gz RPKFMTYZCXPAIX-LJQANCHMSA-N 1 0 377.326 3.982 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000249090579 870751309 /nfs/dbraw/zinc/75/13/09/870751309.db2.gz CZIXCKQMKNNRAD-WDYCEAGBSA-N 1 0 381.442 3.986 20 30 GHEDRO C=CCC[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000617703388 870787546 /nfs/dbraw/zinc/78/75/46/870787546.db2.gz HOAXXZVZSIYEJY-XZOQPEGZSA-N 1 0 378.516 3.619 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000461744568 870897386 /nfs/dbraw/zinc/89/73/86/870897386.db2.gz GNFNHEZGCAWSLV-VGSWGCGISA-N 1 0 377.488 3.624 20 30 GHEDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CN1C(=O)OC(C)(C)C ZINC001168871065 870923777 /nfs/dbraw/zinc/92/37/77/870923777.db2.gz GRDTZHRXOKWYEO-IMFGXOCKSA-N 1 0 385.508 3.799 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)c(F)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000793881393 882457752 /nfs/dbraw/zinc/45/77/52/882457752.db2.gz JWTDZCHRGGMFNK-MRXNPFEDSA-N 1 0 383.467 3.681 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H]1c1cc[nH]n1)CCCCC2 ZINC000429696210 871045169 /nfs/dbraw/zinc/04/51/69/871045169.db2.gz BAAGZZSTVJTVCX-QGZVFWFLSA-N 1 0 383.521 3.777 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000463213761 871161375 /nfs/dbraw/zinc/16/13/75/871161375.db2.gz NWFGVLQZFMZORN-VTSJOCERSA-N 1 0 387.564 3.806 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)s1 ZINC000443333538 871172411 /nfs/dbraw/zinc/17/24/11/871172411.db2.gz ZUMQCMDJOIBDKB-LLVKDONJSA-N 1 0 399.335 3.507 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000539052914 871182976 /nfs/dbraw/zinc/18/29/76/871182976.db2.gz AKFLUPRRMYDCFX-NKCWTACNSA-N 1 0 389.543 3.616 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508870950 871221799 /nfs/dbraw/zinc/22/17/99/871221799.db2.gz CRZTWRDUKCMKSA-IBGZPJMESA-N 1 0 395.551 3.895 20 30 GHEDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000539087050 871235599 /nfs/dbraw/zinc/23/55/99/871235599.db2.gz QIUKSUCQCAJFHT-QGZVFWFLSA-N 1 0 388.433 3.784 20 30 GHEDRO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000181598577 871243516 /nfs/dbraw/zinc/24/35/16/871243516.db2.gz VUPDERXWGCOJMB-HXUWFJFHSA-N 1 0 388.559 3.559 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000540427129 871257619 /nfs/dbraw/zinc/25/76/19/871257619.db2.gz RIRSZXGXZYGDRF-NRFANRHFSA-N 1 0 386.492 3.992 20 30 GHEDRO CC1(C)C[C@H](Nc2nc3cc(C#N)c(C#N)cc3nc2Cl)C[C@@](C)(C[NH3+])C1 ZINC001169147114 871257688 /nfs/dbraw/zinc/25/76/88/871257688.db2.gz SLOUPKKAXHIKHW-VBKZILBWSA-N 1 0 382.899 3.982 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000793934879 882491925 /nfs/dbraw/zinc/49/19/25/882491925.db2.gz ZHQFYRVNVFAAFE-LLGFUMIMSA-N 1 0 397.544 3.984 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000540460490 871319354 /nfs/dbraw/zinc/31/93/54/871319354.db2.gz LRGXILGUFGWOKI-ZDUSSCGKSA-N 1 0 382.407 3.702 20 30 GHEDRO Cc1nc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)cc1C#N ZINC000461941744 871325692 /nfs/dbraw/zinc/32/56/92/871325692.db2.gz MRRHPVHFGCJSCT-GASCZTMLSA-N 1 0 376.932 3.631 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1)CC(C)C ZINC000539138347 871398959 /nfs/dbraw/zinc/39/89/59/871398959.db2.gz POEZYBMPVIDQLB-LJQANCHMSA-N 1 0 385.552 3.932 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2nc(Cl)cnc2C#N)cc1 ZINC001156295074 871409002 /nfs/dbraw/zinc/40/90/02/871409002.db2.gz VZYMCAHYXPHBRF-INIZCTEOSA-N 1 0 385.899 3.501 20 30 GHEDRO O=C(c1ccccc1)C(C(=S)NC[C@@H]1CCCO1)[n+]1ccc2c(c1)CCCC2 ZINC000041465771 871419922 /nfs/dbraw/zinc/41/99/22/871419922.db2.gz GIMQWBHNZJYVKK-FQEVSTJZSA-O 1 0 395.548 3.560 20 30 GHEDRO C#CC[N@H+](Cc1ccccc1)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001194163536 871520551 /nfs/dbraw/zinc/52/05/51/871520551.db2.gz IAGDXNPJQMHGKL-OFNKIYASSA-N 1 0 384.520 3.538 20 30 GHEDRO C#CC[N@H+](Cc1ccccc1)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001194163529 871520826 /nfs/dbraw/zinc/52/08/26/871520826.db2.gz IAGDXNPJQMHGKL-NFBKMPQASA-N 1 0 384.520 3.538 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000525836375 871524725 /nfs/dbraw/zinc/52/47/25/871524725.db2.gz QIGJNQHBMHQCDS-UHFFFAOYSA-N 1 0 391.450 3.962 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)ccc1OC(C)C ZINC000539251878 871558281 /nfs/dbraw/zinc/55/82/81/871558281.db2.gz DDOQUTPBOWSARZ-QGZVFWFLSA-N 1 0 387.524 3.818 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000539254116 871561138 /nfs/dbraw/zinc/56/11/38/871561138.db2.gz LXIIHEACRZFJJZ-DLBZAZTESA-N 1 0 387.524 3.675 20 30 GHEDRO COc1cc(C#N)ccc1CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000766742697 871609485 /nfs/dbraw/zinc/60/94/85/871609485.db2.gz WPTBSJVFZQOTMC-UHFFFAOYSA-N 1 0 378.476 3.600 20 30 GHEDRO C=CCOc1cccnc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539357426 871756400 /nfs/dbraw/zinc/75/64/00/871756400.db2.gz ZPKIHGRVLVKWRY-UYAOXDASSA-N 1 0 379.504 3.772 20 30 GHEDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000447539830 871806325 /nfs/dbraw/zinc/80/63/25/871806325.db2.gz HSUKADUKRQPLFK-SFHVURJKSA-N 1 0 386.293 3.791 20 30 GHEDRO CCCCCCC[N@H+](CC(=O)NC(N)=O)[C@@H](C)c1ccc(Br)cc1 ZINC001169761710 871849513 /nfs/dbraw/zinc/84/95/13/871849513.db2.gz NFSDLVCOIGTSEX-AWEZNQCLSA-N 1 0 398.345 3.977 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169784648 871876378 /nfs/dbraw/zinc/87/63/78/871876378.db2.gz NNBSOZJWHUEXMN-VXKWHMMOSA-N 1 0 389.499 3.706 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC000447584888 871884713 /nfs/dbraw/zinc/88/47/13/871884713.db2.gz HHZZZEBFGZJPDY-NRFANRHFSA-N 1 0 396.922 3.601 20 30 GHEDRO COCCOc1cc(C)ccc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552044223 871926912 /nfs/dbraw/zinc/92/69/12/871926912.db2.gz WEDYGOZLQBUFHW-UHFFFAOYSA-N 1 0 379.504 3.651 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000921076172 882563928 /nfs/dbraw/zinc/56/39/28/882563928.db2.gz MUJKHIIGTIMMJK-UHFFFAOYSA-N 1 0 380.492 3.589 20 30 GHEDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C#CBr)cc1 ZINC001194817871 871970348 /nfs/dbraw/zinc/97/03/48/871970348.db2.gz OCBJEOUEMQYIAH-HXUWFJFHSA-N 1 0 397.316 3.957 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618807835 872014702 /nfs/dbraw/zinc/01/47/02/872014702.db2.gz XOXUADDRWMVMGA-LIRRHRJNSA-N 1 0 379.460 3.570 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000618804887 872014813 /nfs/dbraw/zinc/01/48/13/872014813.db2.gz MWSLTAMMUQTXDB-RTWAWAEBSA-N 1 0 377.488 3.753 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000618809286 872015437 /nfs/dbraw/zinc/01/54/37/872015437.db2.gz CWXYEENFRADYFL-UTKZUKDTSA-N 1 0 394.544 3.818 20 30 GHEDRO CCN(C(=O)COc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000921086276 882572114 /nfs/dbraw/zinc/57/21/14/882572114.db2.gz CUCNEAVMOHRWDC-GHTZIAJQSA-N 1 0 377.488 3.621 20 30 GHEDRO C=CCc1cc(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)cc(OC)c1OC ZINC000921088281 882573589 /nfs/dbraw/zinc/57/35/89/882573589.db2.gz NMOAHWXKDWNGHB-UHFFFAOYSA-N 1 0 382.504 3.814 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000766929570 872079045 /nfs/dbraw/zinc/07/90/45/872079045.db2.gz GSHGZVIOGYJAPJ-QHCPKHFHSA-N 1 0 380.488 3.542 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2c1 ZINC000447677810 872083620 /nfs/dbraw/zinc/08/36/20/872083620.db2.gz WMXFVJICOJHDPL-NRFANRHFSA-N 1 0 391.563 3.836 20 30 GHEDRO C[NH+](C)CCCC1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000766991310 872117863 /nfs/dbraw/zinc/11/78/63/872117863.db2.gz BGXUYCHGYGBFOK-KRWDZBQOSA-N 1 0 384.549 3.526 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc([S@](C)=O)cc1 ZINC000526108346 872138879 /nfs/dbraw/zinc/13/88/79/872138879.db2.gz QZQDQSLTCJPNMH-HNOGSUDMSA-N 1 0 383.517 3.731 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nc2ccccc2cc1Cl ZINC000463586996 872148445 /nfs/dbraw/zinc/14/84/45/872148445.db2.gz PLRQETYHNYWTJT-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000093482732 872228434 /nfs/dbraw/zinc/22/84/34/872228434.db2.gz ISUVIJIRJBGHOF-UKRRQHHQSA-N 1 0 384.314 3.758 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000093534896 872258889 /nfs/dbraw/zinc/25/88/89/872258889.db2.gz HSHUQMVOQYQVFK-KRWDZBQOSA-N 1 0 398.463 3.640 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(F)cc2F)[n+]2ccccc2)cn1 ZINC000101900392 872354039 /nfs/dbraw/zinc/35/40/39/872354039.db2.gz YYWXUSFTUGHBKO-UHFFFAOYSA-O 1 0 387.435 3.520 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccccc2C)[n+]2cccc(C)c2)cn1 ZINC000101900277 872354727 /nfs/dbraw/zinc/35/47/27/872354727.db2.gz MDMZEKTULOCOHK-UHFFFAOYSA-O 1 0 379.509 3.858 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(C)cc2)[n+]2ccc(C)cc2)cn1 ZINC000101900498 872354804 /nfs/dbraw/zinc/35/48/04/872354804.db2.gz DPZNNNJYNOPNBT-UHFFFAOYSA-O 1 0 379.509 3.858 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(CC)cc2)C(=S)NCCOC)cc1 ZINC000022794665 872390083 /nfs/dbraw/zinc/39/00/83/872390083.db2.gz CRBOUMFTEGGXQQ-UHFFFAOYSA-O 1 0 385.553 3.664 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000921124633 882617560 /nfs/dbraw/zinc/61/75/60/882617560.db2.gz DLVPETQRMCAXQV-OAHLLOKOSA-N 1 0 386.721 3.685 20 30 GHEDRO COc1ccc(Cn2nc(C)c(C[NH2+]CCOc3ccc(C#N)cc3)c2C)cc1 ZINC000463741527 872462227 /nfs/dbraw/zinc/46/22/27/872462227.db2.gz LMEMEUJSJOHEKD-UHFFFAOYSA-N 1 0 390.487 3.597 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000921124800 882617393 /nfs/dbraw/zinc/61/73/93/882617393.db2.gz URQWLOYMPOPHMV-OAHLLOKOSA-N 1 0 386.721 3.685 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H](N(Cc3ccccc3[N+](=O)[O-])C3CC3)C2=O)cc1 ZINC000447891646 872486590 /nfs/dbraw/zinc/48/65/90/872486590.db2.gz RFZKFCWBWXIPQR-NRFANRHFSA-N 1 0 390.443 3.626 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@H]2C1 ZINC000540913526 872489872 /nfs/dbraw/zinc/48/98/72/872489872.db2.gz URLKMIOLQSUZIS-AVRDEDQJSA-N 1 0 375.472 3.711 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000463761549 872518131 /nfs/dbraw/zinc/51/81/31/872518131.db2.gz COLRWMQXMGKSHO-LJQANCHMSA-N 1 0 386.536 3.988 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC001195650892 872558039 /nfs/dbraw/zinc/55/80/39/872558039.db2.gz RTBPTWFSFUJVCS-LSNYBQGISA-N 1 0 375.557 3.729 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C#N)Cc1ccccc1 ZINC000619355396 872587889 /nfs/dbraw/zinc/58/78/89/872587889.db2.gz ATHSSZXXDJDGFD-LJQANCHMSA-N 1 0 381.549 3.719 20 30 GHEDRO CCc1ccccc1OCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000552431102 872635535 /nfs/dbraw/zinc/63/55/35/872635535.db2.gz SMVOGESRFMNTHY-UHFFFAOYSA-N 1 0 391.515 3.692 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)n2)c1 ZINC000619588456 872774803 /nfs/dbraw/zinc/77/48/03/872774803.db2.gz DZORJZXVAWKLAZ-UHFFFAOYSA-N 1 0 385.471 3.635 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000775682531 872813967 /nfs/dbraw/zinc/81/39/67/872813967.db2.gz YLLOCYCATANUAY-UHFFFAOYSA-N 1 0 398.507 3.932 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c(-c2ccc(C#N)cc2)n1 ZINC000478302930 872826645 /nfs/dbraw/zinc/82/66/45/872826645.db2.gz MQLLUCACYXCMMA-UHFFFAOYSA-N 1 0 375.476 3.821 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000619653995 872850988 /nfs/dbraw/zinc/85/09/88/872850988.db2.gz OSAJVYMZEKOHFR-QGZVFWFLSA-N 1 0 375.394 3.954 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541073715 872854765 /nfs/dbraw/zinc/85/47/65/872854765.db2.gz DXOHSGUJKKOIBL-CVEARBPZSA-N 1 0 392.503 3.889 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001196159195 872919052 /nfs/dbraw/zinc/91/90/52/872919052.db2.gz MVLOQSBHONRMMM-XMSQKQJNSA-N 1 0 384.545 3.635 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCC1 ZINC000527302671 872941577 /nfs/dbraw/zinc/94/15/77/872941577.db2.gz UFQKMRBUZVAKRF-YSVLISHTSA-N 1 0 379.426 3.882 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619755355 872965113 /nfs/dbraw/zinc/96/51/13/872965113.db2.gz FJKNJJGJWDQLLL-ZDUSSCGKSA-N 1 0 387.867 3.736 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756551 872966328 /nfs/dbraw/zinc/96/63/28/872966328.db2.gz FGUJSUHYOJGGKD-HZPDHXFCSA-N 1 0 376.932 3.769 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000152939720 872993828 /nfs/dbraw/zinc/99/38/28/872993828.db2.gz HFYWVTQCOCBVKH-HNNXBMFYSA-N 1 0 394.357 3.796 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000527343504 873058911 /nfs/dbraw/zinc/05/89/11/873058911.db2.gz ZXAGEIPZDUGEQU-UHFFFAOYSA-N 1 0 397.478 3.725 20 30 GHEDRO Cc1ccc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)cn1 ZINC000541200757 873123542 /nfs/dbraw/zinc/12/35/42/873123542.db2.gz CGGCPLGYNHMMPA-LJQANCHMSA-N 1 0 376.504 3.905 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443494336 873129561 /nfs/dbraw/zinc/12/95/61/873129561.db2.gz VSORDUFTTSIOIS-UHFFFAOYSA-N 1 0 393.422 3.722 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000768251034 873189369 /nfs/dbraw/zinc/18/93/69/873189369.db2.gz ZAUGGKIXRPCUAW-UHFFFAOYSA-N 1 0 380.463 3.622 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)CC1 ZINC000794426680 873269478 /nfs/dbraw/zinc/26/94/78/873269478.db2.gz PBPAONBQJFOBOF-UHFFFAOYSA-N 1 0 378.541 3.589 20 30 GHEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000494652550 882706631 /nfs/dbraw/zinc/70/66/31/882706631.db2.gz CSLIIJPZDBCSPU-ZBFHGGJFSA-N 1 0 389.546 3.713 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000464167739 873330142 /nfs/dbraw/zinc/33/01/42/873330142.db2.gz LOZVSCLMZLJVRC-LAUBAEHRSA-N 1 0 380.488 3.510 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)c1ccccc1 ZINC001196812500 873408457 /nfs/dbraw/zinc/40/84/57/873408457.db2.gz GMSWWIVTSIYVJM-LJQANCHMSA-N 1 0 396.922 3.978 20 30 GHEDRO C=CCOc1ccc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1Cl ZINC000527765785 873580158 /nfs/dbraw/zinc/58/01/58/873580158.db2.gz ZJRGBEUMWGPIGB-UHFFFAOYSA-N 1 0 387.911 3.808 20 30 GHEDRO Cn1c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)nc2ccc(Cl)cc21 ZINC000527809319 873594585 /nfs/dbraw/zinc/59/45/85/873594585.db2.gz JJGSXCIUZNQJMV-UHFFFAOYSA-N 1 0 380.879 3.894 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CCOCC2)cc1 ZINC000527809888 873595958 /nfs/dbraw/zinc/59/59/58/873595958.db2.gz HGSTVADABRIJIP-UHFFFAOYSA-N 1 0 384.863 3.778 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001197115939 873608665 /nfs/dbraw/zinc/60/86/65/873608665.db2.gz NSNGSDQUBBPFAQ-OAQYLSRUSA-N 1 0 383.442 3.502 20 30 GHEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177087327 882757702 /nfs/dbraw/zinc/75/77/02/882757702.db2.gz MIKWVOVBYBNNMV-INIZCTEOSA-N 1 0 380.454 3.930 20 30 GHEDRO COC(=O)C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)C1CCCCC1 ZINC000541602359 873924452 /nfs/dbraw/zinc/92/44/52/873924452.db2.gz NAEUSPYYIQYEMH-FQEVSTJZSA-N 1 0 399.535 3.652 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)[C@H]1OC ZINC001170005410 873944131 /nfs/dbraw/zinc/94/41/31/873944131.db2.gz WLJVNLDFWALPAV-UPRAQXHNSA-N 1 0 389.565 3.866 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Br)cc1C#N)c1ccco1 ZINC000448808266 873974198 /nfs/dbraw/zinc/97/41/98/873974198.db2.gz CGSGGINMGWSQCK-MRXNPFEDSA-N 1 0 390.281 3.727 20 30 GHEDRO N#Cc1cccc(NC(=S)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001197723654 874008445 /nfs/dbraw/zinc/00/84/45/874008445.db2.gz NMSZMCZMFHMHRD-HMXCVIKNSA-N 1 0 376.529 3.755 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000769416292 874033919 /nfs/dbraw/zinc/03/39/19/874033919.db2.gz CLYVUQYHOPSCGX-QGZVFWFLSA-N 1 0 377.406 3.658 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000769421496 874038238 /nfs/dbraw/zinc/03/82/38/874038238.db2.gz YNNOJIJMZRLYCR-YJBOKZPZSA-N 1 0 392.421 3.937 20 30 GHEDRO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]CCOCC(F)(F)C(F)(F)F)cc1F ZINC000192135437 882794006 /nfs/dbraw/zinc/79/40/06/882794006.db2.gz XTKUDVKUYRFWCM-QWHCGFSZSA-N 1 0 375.284 3.599 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000476654668 882796401 /nfs/dbraw/zinc/79/64/01/882796401.db2.gz OSQZHZNOGQKIAU-IBGZPJMESA-N 1 0 383.492 3.871 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000609133384 874152632 /nfs/dbraw/zinc/15/26/32/874152632.db2.gz VDKBDUBUQQTHNK-IBGZPJMESA-N 1 0 391.515 3.745 20 30 GHEDRO Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(c4ccc(C#N)cc4)CC3)c2cc1C ZINC001198209879 874274309 /nfs/dbraw/zinc/27/43/09/874274309.db2.gz AEFPNWVYBJBLAQ-QFIPXVFZSA-N 1 0 388.515 3.765 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528276136 874295738 /nfs/dbraw/zinc/29/57/38/874295738.db2.gz GUCIADKSSDMPTE-FGZHOGPDSA-N 1 0 379.479 3.781 20 30 GHEDRO C#CCOc1ccccc1C[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000770289256 874571444 /nfs/dbraw/zinc/57/14/44/874571444.db2.gz QLIICDUWMQGPFX-GOSISDBHSA-N 1 0 399.560 3.570 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@]23CCC[C@H]2OCC3)c1 ZINC001198790675 874611809 /nfs/dbraw/zinc/61/18/09/874611809.db2.gz LNBURKBCYXEJPV-KJXAQDMKSA-N 1 0 383.536 3.830 20 30 GHEDRO O=C(C[N@@H+]1CC=CC12CCCCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001198800210 874640636 /nfs/dbraw/zinc/64/06/36/874640636.db2.gz HMAQSPAKBNFRCK-UHFFFAOYSA-N 1 0 376.422 3.748 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1C#N ZINC000464861742 874661777 /nfs/dbraw/zinc/66/17/77/874661777.db2.gz VJDXJTZSFLGPPM-WIYYLYMNSA-N 1 0 398.551 3.921 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000528506998 874677869 /nfs/dbraw/zinc/67/78/69/874677869.db2.gz NAFJFSYRBDQZHH-PGRDOPGGSA-N 1 0 386.442 3.860 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000464944150 874832080 /nfs/dbraw/zinc/83/20/80/874832080.db2.gz WBAWGWHYPJTBHQ-SIKLNZKXSA-N 1 0 391.515 3.696 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)c2cccc(OC)c2)cc1OC ZINC000858132887 882870626 /nfs/dbraw/zinc/87/06/26/882870626.db2.gz HKEPYHAMIGGHBL-SFHVURJKSA-N 1 0 377.868 3.745 20 30 GHEDRO COc1ccc(C(C)(C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1F ZINC000528677148 874874923 /nfs/dbraw/zinc/87/49/23/874874923.db2.gz YTXJVLJVGOBYGH-UHFFFAOYSA-N 1 0 375.831 3.823 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CC(=O)Nc3ccc(F)cc3Cl)CCOCC2)cc1 ZINC000528778513 875049907 /nfs/dbraw/zinc/04/99/07/875049907.db2.gz JMGIACUAMFDRJV-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449643292 875167042 /nfs/dbraw/zinc/16/70/42/875167042.db2.gz ADBSYPQQYLODOK-ROUUACIJSA-N 1 0 377.488 3.825 20 30 GHEDRO C=C(Br)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000105453758 875298417 /nfs/dbraw/zinc/29/84/17/875298417.db2.gz FVCOQXAPXGBWEM-UHFFFAOYSA-N 1 0 383.293 3.992 20 30 GHEDRO CC(C)(C)C[N@H+](CCC#N)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604727 875347669 /nfs/dbraw/zinc/34/76/69/875347669.db2.gz PTLRODRLXFEMKD-UHFFFAOYSA-N 1 0 376.298 3.983 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=S)Nc3ccc(F)cc3F)CC2)cc1 ZINC001200937092 875389410 /nfs/dbraw/zinc/38/94/10/875389410.db2.gz HALRTZBMRCBRPR-UHFFFAOYSA-N 1 0 386.471 3.787 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cn(C(F)F)c3ccccc23)CC1 ZINC000858199104 882932547 /nfs/dbraw/zinc/93/25/47/882932547.db2.gz AQUXERAZSRQRDT-UHFFFAOYSA-N 1 0 376.451 3.876 20 30 GHEDRO CC(C)c1ccc(OCC2N=NC(=S)N2N=Cc2c[nH+]ccc2N(C)C)cc1 ZINC000776185932 875677900 /nfs/dbraw/zinc/67/79/00/875677900.db2.gz QOVXZYWKFVWDCV-UHFFFAOYSA-N 1 0 396.520 3.612 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCSc3ccc(F)cc3)CC2)cc1 ZINC000029984249 875763629 /nfs/dbraw/zinc/76/36/29/875763629.db2.gz CPAVECGNVWDZGW-UHFFFAOYSA-N 1 0 397.519 3.914 20 30 GHEDRO COCc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000529212103 875835167 /nfs/dbraw/zinc/83/51/67/875835167.db2.gz NIQDTEOEOFTESB-VGSWGCGISA-N 1 0 392.503 3.737 20 30 GHEDRO C=CCNC(=O)C[NH2+]Cc1ccccc1Oc1ccc(Br)cc1F ZINC001201694730 875837267 /nfs/dbraw/zinc/83/72/67/875837267.db2.gz VCMFKKTZSJJKLU-UHFFFAOYSA-N 1 0 393.256 3.772 20 30 GHEDRO COCc1ccc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1C#N ZINC000529215719 875844451 /nfs/dbraw/zinc/84/44/51/875844451.db2.gz XPIZNCQWDOHRKN-UHFFFAOYSA-N 1 0 384.524 3.869 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@@H]2CN(CCc3ccccc3)S(=O)(=O)[C@@H]2CC1 ZINC001201762304 875846793 /nfs/dbraw/zinc/84/67/93/875846793.db2.gz FDQGBUOYMGZMSY-FGZHOGPDSA-N 1 0 392.609 3.926 20 30 GHEDRO CC(C)c1ccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccccc2)cc1 ZINC000151910686 876103211 /nfs/dbraw/zinc/10/32/11/876103211.db2.gz GRXCKDFMCLYPSI-UHFFFAOYSA-O 1 0 379.509 3.882 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccc(C)cc2C)cc1 ZINC000151912134 876106790 /nfs/dbraw/zinc/10/67/90/876106790.db2.gz YFWPCXRKXCVESB-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO CC[C@@H](NC(=S)C(C(=O)c1cnn(C)c1)[n+]1cccc(C)c1)c1cccs1 ZINC000151936362 876204226 /nfs/dbraw/zinc/20/42/26/876204226.db2.gz ITSCAEJHJJDOTL-MRXNPFEDSA-O 1 0 399.565 3.757 20 30 GHEDRO Cc1ccc2occ(CC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c2c1 ZINC000529518351 876261251 /nfs/dbraw/zinc/26/12/51/876261251.db2.gz ZBFQUFSBTHRJOT-UHFFFAOYSA-N 1 0 387.483 3.936 20 30 GHEDRO CNC(=S)C(C(=O)c1ccc(OCc2ccccc2)cc1)[n+]1ccccc1 ZINC000107067613 876301515 /nfs/dbraw/zinc/30/15/15/876301515.db2.gz SIMFEMGMVLFRBP-UHFFFAOYSA-O 1 0 377.489 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NCc3ccc(C#N)cc3)c2)CC1 ZINC000858314182 883018539 /nfs/dbraw/zinc/01/85/39/883018539.db2.gz NILNSASLBCIPOC-UHFFFAOYSA-N 1 0 393.491 3.622 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000551003868 883028935 /nfs/dbraw/zinc/02/89/35/883028935.db2.gz IHEULJJRGYZGSA-WNSKOXEYSA-N 1 0 388.471 3.634 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 ZINC000609334696 883030642 /nfs/dbraw/zinc/03/06/42/883030642.db2.gz BLISWSFPTRLMGY-HNNXBMFYSA-N 1 0 395.347 3.636 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](CC)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000786212714 876533853 /nfs/dbraw/zinc/53/38/53/876533853.db2.gz QNAPLQDNQIYPCC-KRWDZBQOSA-N 1 0 380.454 3.878 20 30 GHEDRO CCC[N@H+](C)[C@H](CNc1nc2c(cc1C#N)COCC2)c1ccc(Cl)cc1 ZINC000450519743 876552933 /nfs/dbraw/zinc/55/29/33/876552933.db2.gz NLKJLYXZLKPMED-HXUWFJFHSA-N 1 0 384.911 3.596 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCSC1 ZINC000443902616 876573670 /nfs/dbraw/zinc/57/36/70/876573670.db2.gz CLTREQIWBRSYEL-NRFANRHFSA-N 1 0 396.516 3.909 20 30 GHEDRO COCc1ccc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc1C#N ZINC000529813963 876673075 /nfs/dbraw/zinc/67/30/75/876673075.db2.gz GJIBLYGVKNVISN-HZPDHXFCSA-N 1 0 383.414 3.552 20 30 GHEDRO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)n2)c1 ZINC000537662827 883061491 /nfs/dbraw/zinc/06/14/91/883061491.db2.gz GQFGWGNKOJLEMP-QFIPXVFZSA-N 1 0 399.498 3.619 20 30 GHEDRO CC(C)Oc1cc(Br)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000174133814 876852015 /nfs/dbraw/zinc/85/20/15/876852015.db2.gz DRPBEIDLXMHVCY-UHFFFAOYSA-N 1 0 396.329 3.544 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000786697634 876874190 /nfs/dbraw/zinc/87/41/90/876874190.db2.gz CJTSZDKUNFIGBK-UHFFFAOYSA-N 1 0 383.496 3.692 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850434619 876917455 /nfs/dbraw/zinc/91/74/55/876917455.db2.gz ZHPDFYDRZCZKTC-IBGZPJMESA-N 1 0 395.469 3.652 20 30 GHEDRO N#Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)cc1 ZINC000850487639 876963691 /nfs/dbraw/zinc/96/36/91/876963691.db2.gz IWGQDXYEBZISAD-IBGZPJMESA-N 1 0 387.405 3.726 20 30 GHEDRO C=CCOc1ccc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000772690215 876964046 /nfs/dbraw/zinc/96/40/46/876964046.db2.gz OIDMEOBRXFPPRM-UHFFFAOYSA-N 1 0 385.460 3.922 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786892445 877010182 /nfs/dbraw/zinc/01/01/82/877010182.db2.gz RLURJARSVFVEKN-NQIIRXRSSA-N 1 0 397.519 3.580 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1)C1CC[NH+](C)CC1 ZINC000913940766 877032238 /nfs/dbraw/zinc/03/22/38/877032238.db2.gz GTHOSFORWPDHJE-MRXNPFEDSA-N 1 0 383.492 3.632 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(F)(c3cccnc3)CC2)cc1Cl ZINC000551465764 877240250 /nfs/dbraw/zinc/24/02/50/877240250.db2.gz QHGCROMKCFIIBO-UHFFFAOYSA-N 1 0 386.858 3.896 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000530231664 877333325 /nfs/dbraw/zinc/33/33/25/877333325.db2.gz SMHUFZHMAGKZMM-APWZRJJASA-N 1 0 388.414 3.567 20 30 GHEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492694516 877360775 /nfs/dbraw/zinc/36/07/75/877360775.db2.gz DXHYZPSRIPILSN-GDBMZVCRSA-N 1 0 392.341 3.838 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1 ZINC001183075644 912235242 /nfs/dbraw/zinc/23/52/42/912235242.db2.gz AXYZRVANBGKOQG-UHFFFAOYSA-N 1 0 378.398 3.790 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2c(C#N)nnc3ccccc32)CCOCC1)c1ccccc1 ZINC000610130966 877444311 /nfs/dbraw/zinc/44/43/11/877444311.db2.gz PPHUFEIYDQVQHE-KRWDZBQOSA-N 1 0 387.487 3.813 20 30 GHEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)N1CCN(c2ccccc2)CC1 ZINC000237550884 877569004 /nfs/dbraw/zinc/56/90/04/877569004.db2.gz WLLFHXLIOVNRBZ-OAQYLSRUSA-N 1 0 392.547 3.669 20 30 GHEDRO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000081014274 877589275 /nfs/dbraw/zinc/58/92/75/877589275.db2.gz IWSNHQHICSPQFM-QFIPXVFZSA-N 1 0 376.504 3.534 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000175764459 877892402 /nfs/dbraw/zinc/89/24/02/877892402.db2.gz IYHQDVJFNGABHN-UHFFFAOYSA-N 1 0 388.515 3.529 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451477490 877991696 /nfs/dbraw/zinc/99/16/96/877991696.db2.gz IGYDMTXHVHXQDV-HRYATBACSA-N 1 0 387.549 3.813 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1C#N ZINC000746743175 878009060 /nfs/dbraw/zinc/00/90/60/878009060.db2.gz WYBDFPKZPRWTLH-UHFFFAOYSA-N 1 0 380.448 3.755 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)ccn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183147898 912306149 /nfs/dbraw/zinc/30/61/49/912306149.db2.gz FNCBUOAOEJQNDO-KRWDZBQOSA-N 1 0 380.492 3.634 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCSCc2ccccc2)c(-c2ccncc2)n1 ZINC000788508250 878114748 /nfs/dbraw/zinc/11/47/48/878114748.db2.gz VJIUNMLEBADYII-UHFFFAOYSA-N 1 0 377.517 3.882 20 30 GHEDRO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000031106572 878125090 /nfs/dbraw/zinc/12/50/90/878125090.db2.gz PHTOUULRESWVQE-KRWDZBQOSA-N 1 0 376.504 3.755 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000176281589 878183723 /nfs/dbraw/zinc/18/37/23/878183723.db2.gz WFZXQQMHOVHLQJ-GOSISDBHSA-N 1 0 390.959 3.559 20 30 GHEDRO CCCCCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCC(F)(F)F)C2)C1 ZINC001275114241 912335115 /nfs/dbraw/zinc/33/51/15/912335115.db2.gz LJMBJXIPGOBFNH-GOSISDBHSA-N 1 0 378.479 3.850 20 30 GHEDRO C/C(=C/C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000110613388 878325826 /nfs/dbraw/zinc/32/58/26/878325826.db2.gz RMNXDIQUBUGSIZ-JXAWBTAJSA-N 1 0 377.463 3.835 20 30 GHEDRO N#CCOc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000110670676 878398198 /nfs/dbraw/zinc/39/81/98/878398198.db2.gz QOUYEOYPJJDQSY-UHFFFAOYSA-N 1 0 391.515 3.824 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285568260 912342395 /nfs/dbraw/zinc/34/23/95/912342395.db2.gz NOIVARFKSPXWBQ-RCCFBDPRSA-N 1 0 386.565 3.578 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000852594355 878447620 /nfs/dbraw/zinc/44/76/20/878447620.db2.gz MFQQXBBWLVPHOL-DENIHFKCSA-N 1 0 383.536 3.911 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1C ZINC000852595082 878449269 /nfs/dbraw/zinc/44/92/69/878449269.db2.gz PIHKVXJTPMUBCH-QFIPXVFZSA-N 1 0 383.536 3.831 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1C ZINC000852598080 878451536 /nfs/dbraw/zinc/45/15/36/878451536.db2.gz UFXUMOSKOHHSOI-IFMALSPDSA-N 1 0 383.536 3.831 20 30 GHEDRO COc1cccc(C2([NH2+]Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CCC2)c1 ZINC000852692889 878528103 /nfs/dbraw/zinc/52/81/03/878528103.db2.gz DEUNQHXPSWAYQV-IBGZPJMESA-N 1 0 398.466 3.901 20 30 GHEDRO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H]1CCc2ccccc21 ZINC000852724630 878548474 /nfs/dbraw/zinc/54/84/74/878548474.db2.gz IXFZQVMXTOHAPO-XLIONFOSSA-N 1 0 382.467 3.885 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)c1C#N ZINC000852728412 878554527 /nfs/dbraw/zinc/55/45/27/878554527.db2.gz BNWSYEIHAMHNSF-VQTJNVASSA-N 1 0 386.879 3.846 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731388 878560941 /nfs/dbraw/zinc/56/09/41/878560941.db2.gz IXYZBCCSOYAZOC-IPELMVKDSA-N 1 0 391.943 3.719 20 30 GHEDRO CN(C)[C@]1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCSC1 ZINC000530883417 878726034 /nfs/dbraw/zinc/72/60/34/878726034.db2.gz XQAQTXVHSGQXIA-QFIPXVFZSA-N 1 0 381.545 3.664 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451962025 878738495 /nfs/dbraw/zinc/73/84/95/878738495.db2.gz FGFJMUDFVXSSSQ-JXFKEZNVSA-N 1 0 375.513 3.680 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451962028 878738785 /nfs/dbraw/zinc/73/87/85/878738785.db2.gz FGFJMUDFVXSSSQ-UZLBHIALSA-N 1 0 375.513 3.680 20 30 GHEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CC(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000452010413 878802383 /nfs/dbraw/zinc/80/23/83/878802383.db2.gz BFSCJLSWGFKECM-XUTJKUGGSA-N 1 0 377.488 3.820 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CC2)OCCc2ccsc23)cc1 ZINC000543702607 878873156 /nfs/dbraw/zinc/87/31/56/878873156.db2.gz QWKQFCSTBPZDDE-UHFFFAOYSA-N 1 0 381.501 3.512 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@H](CCO)c2ccccc2)sc2c1CCCCC2 ZINC000538128196 878905685 /nfs/dbraw/zinc/90/56/85/878905685.db2.gz LFZXHNQLPSJZHE-GOSISDBHSA-N 1 0 383.517 3.540 20 30 GHEDRO CC[NH+]1CCC(CC2CCN(C(=O)C3(c4ccccc4C#N)CC3)CC2)CC1 ZINC001183293525 912400465 /nfs/dbraw/zinc/40/04/65/912400465.db2.gz OIHJWKYGZPBNLS-UHFFFAOYSA-N 1 0 379.548 3.950 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](COc2ccccc2)c2ccccc2)c1 ZINC000538217738 879034181 /nfs/dbraw/zinc/03/41/81/879034181.db2.gz JEOQQQWYOFMSPK-HSZRJFAPSA-N 1 0 385.467 3.584 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000789481135 879038648 /nfs/dbraw/zinc/03/86/48/879038648.db2.gz PCBFWEFHDXPZMZ-WBVHZDCISA-N 1 0 376.291 3.598 20 30 GHEDRO N#Cc1cc2cccnc2nc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000853466443 879039909 /nfs/dbraw/zinc/03/99/09/879039909.db2.gz BVXXTHSWBCKSAI-UHFFFAOYSA-N 1 0 398.514 3.646 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)cc1C ZINC001170114681 879168538 /nfs/dbraw/zinc/16/85/38/879168538.db2.gz AKUHOKUGTGMRMU-DNQXCXABSA-N 1 0 393.531 3.898 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531117589 879203777 /nfs/dbraw/zinc/20/37/77/879203777.db2.gz YPKLJVJTFIQUCO-LJQANCHMSA-N 1 0 383.517 3.862 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000853690965 879224056 /nfs/dbraw/zinc/22/40/56/879224056.db2.gz TWGGHASKJGJRCE-PMACEKPBSA-N 1 0 393.959 3.738 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000531145684 879234438 /nfs/dbraw/zinc/23/44/38/879234438.db2.gz CRWAVEGVVCEPFZ-OALUTQOASA-N 1 0 375.516 3.895 20 30 GHEDRO N#Cc1ccc2ncc(C[NH+]3CCC(COc4ccc(Cl)nc4)CC3)n2c1 ZINC000789756816 879237461 /nfs/dbraw/zinc/23/74/61/879237461.db2.gz KJRJQHBJFZGVIU-UHFFFAOYSA-N 1 0 381.867 3.545 20 30 GHEDRO CCOC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(C)C ZINC001170117900 879260385 /nfs/dbraw/zinc/26/03/85/879260385.db2.gz MZAMOCVCLZEJSY-FQEVSTJZSA-N 1 0 382.508 3.555 20 30 GHEDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000538395570 879417444 /nfs/dbraw/zinc/41/74/44/879417444.db2.gz PJCOMLMVOJRGPP-CQSZACIVSA-N 1 0 386.293 3.791 20 30 GHEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180873805 879437601 /nfs/dbraw/zinc/43/76/01/879437601.db2.gz URKBFPRABHOFMC-GBWQBGJGSA-N 1 0 391.471 3.539 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccc(CCC)cc1 ZINC000069047709 879478524 /nfs/dbraw/zinc/47/85/24/879478524.db2.gz OEMPAMTWFIQZCK-UHFFFAOYSA-O 1 0 381.521 3.671 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000493506105 879510016 /nfs/dbraw/zinc/51/00/16/879510016.db2.gz DBYOLCKYNZIONT-RXVVDRJESA-N 1 0 375.472 3.825 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000246396901 879511531 /nfs/dbraw/zinc/51/15/31/879511531.db2.gz QABNPFFCLQLZBU-RBUKOAKNSA-N 1 0 395.551 3.805 20 30 GHEDRO COc1ccc(C[NH+](C)C)cc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790290207 879573168 /nfs/dbraw/zinc/57/31/68/879573168.db2.gz QLMPBDOIGUEGKJ-UHFFFAOYSA-N 1 0 376.378 3.766 20 30 GHEDRO C[NH+](C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 ZINC000531353483 879682201 /nfs/dbraw/zinc/68/22/01/879682201.db2.gz RQOSKYSDHHAWBY-KRWDZBQOSA-N 1 0 377.366 3.641 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000031565120 879701714 /nfs/dbraw/zinc/70/17/14/879701714.db2.gz STGJIXJAQLZWCD-FQEVSTJZSA-N 1 0 380.488 3.654 20 30 GHEDRO CCCC1CCC([N@H+](C)CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000790476951 879749075 /nfs/dbraw/zinc/74/90/75/879749075.db2.gz GZWWYWHWALMRAU-UHFFFAOYSA-N 1 0 382.508 3.571 20 30 GHEDRO Cc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)nn1-c1cccc(C#N)c1 ZINC000493989941 879793925 /nfs/dbraw/zinc/79/39/25/879793925.db2.gz ADOQPTVOMYBWBZ-UHFFFAOYSA-N 1 0 393.535 3.779 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Cc2ccccc2CC#N)[NH+]2CCCCC2)cc1 ZINC000776744683 879855292 /nfs/dbraw/zinc/85/52/92/879855292.db2.gz NBAIDHSCPXIKNJ-HSZRJFAPSA-N 1 0 391.515 3.647 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000286015613 912536716 /nfs/dbraw/zinc/53/67/16/912536716.db2.gz JMBVKTVGHVXDAI-WOJBJXKFSA-N 1 0 398.503 3.751 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000531701421 880327612 /nfs/dbraw/zinc/32/76/12/880327612.db2.gz RJIYNHLFHRDLRC-MRXNPFEDSA-N 1 0 392.293 3.543 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)cc1OC ZINC000776810627 880513244 /nfs/dbraw/zinc/51/32/44/880513244.db2.gz GHPYFBKIPCMAIY-SJLPKXTDSA-N 1 0 376.497 3.607 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1O ZINC000113331112 880517490 /nfs/dbraw/zinc/51/74/90/880517490.db2.gz WPSWXHIDUVNQEH-QGZVFWFLSA-N 1 0 397.393 3.851 20 30 GHEDRO C=CCn1c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453440448 880902101 /nfs/dbraw/zinc/90/21/01/880902101.db2.gz MZBIVCVVRLWQAG-CVDCTZTESA-N 1 0 395.551 3.591 20 30 GHEDRO C=CCn1c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453442392 880904398 /nfs/dbraw/zinc/90/43/98/880904398.db2.gz PIWCZPRIJIAFKK-SIKLNZKXSA-N 1 0 387.572 3.582 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453442389 880904720 /nfs/dbraw/zinc/90/47/20/880904720.db2.gz PIWCZPRIJIAFKK-DENIHFKCSA-N 1 0 387.572 3.582 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000453447412 880914820 /nfs/dbraw/zinc/91/48/20/880914820.db2.gz XGZLYECMSIWPHN-FPOVZHCZSA-N 1 0 395.551 3.664 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000453467552 880975200 /nfs/dbraw/zinc/97/52/00/880975200.db2.gz REVWPLPRDOREQV-UXHICEINSA-N 1 0 387.572 3.654 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000453470117 880980956 /nfs/dbraw/zinc/98/09/56/880980956.db2.gz ZJTRUOVGFFGZQO-PMACEKPBSA-N 1 0 387.572 3.798 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453472401 880987909 /nfs/dbraw/zinc/98/79/09/880987909.db2.gz XBJSYVHJVMANAV-WMZHIEFXSA-N 1 0 395.551 3.591 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000856168982 881003171 /nfs/dbraw/zinc/00/31/71/881003171.db2.gz AQHUNZQSTKVBOL-QHCPKHFHSA-N 1 0 387.527 3.714 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000113970786 881019541 /nfs/dbraw/zinc/01/95/41/881019541.db2.gz VLCNLHKJOUGEGS-AZUAARDMSA-N 1 0 386.540 3.679 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)c1 ZINC000114024335 881058173 /nfs/dbraw/zinc/05/81/73/881058173.db2.gz UULZIPLYECSNAK-OAQYLSRUSA-N 1 0 394.519 3.819 20 30 GHEDRO C=CCC[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000187274144 881131435 /nfs/dbraw/zinc/13/14/35/881131435.db2.gz BVUINOXPWSDRLQ-IBGZPJMESA-N 1 0 393.487 3.845 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3cccc(Cl)c3)c2CC)CC1 ZINC000792486761 881141391 /nfs/dbraw/zinc/14/13/91/881141391.db2.gz DLJLIBMALARPLC-UHFFFAOYSA-N 1 0 387.915 3.860 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CC1 ZINC000130696574 881335868 /nfs/dbraw/zinc/33/58/68/881335868.db2.gz FXUVBXAOVQNXCD-HXUWFJFHSA-N 1 0 379.529 3.921 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134941476 883126162 /nfs/dbraw/zinc/12/61/62/883126162.db2.gz UBBYJWBQQQUIQM-XLIONFOSSA-N 1 0 385.577 3.852 20 30 GHEDRO COCC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CCCC1 ZINC000609385097 883130762 /nfs/dbraw/zinc/13/07/62/883130762.db2.gz OKGWGHIBPNSHLZ-INIZCTEOSA-N 1 0 375.538 3.910 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc(OCC#N)cc1 ZINC000858489754 883140087 /nfs/dbraw/zinc/14/00/87/883140087.db2.gz KYYCNJYBBQDNNO-KKSFZXQISA-N 1 0 385.895 3.798 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000286290178 912673268 /nfs/dbraw/zinc/67/32/68/912673268.db2.gz WDOSIWJGHSKRQG-LJQANCHMSA-N 1 0 378.495 3.782 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000135272999 883281206 /nfs/dbraw/zinc/28/12/06/883281206.db2.gz OQPMASMKAAGGOT-UHFFFAOYSA-N 1 0 393.506 3.904 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000609515501 883282607 /nfs/dbraw/zinc/28/26/07/883282607.db2.gz CIKYTLFIEMZVPJ-DLBZAZTESA-N 1 0 378.476 3.596 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609516569 883286116 /nfs/dbraw/zinc/28/61/16/883286116.db2.gz UINKBFPCIHCVQW-SJORKVTESA-N 1 0 378.476 3.596 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000609515989 883286536 /nfs/dbraw/zinc/28/65/36/883286536.db2.gz XUXGHDJBEAGTBP-WOJBJXKFSA-N 1 0 375.472 3.902 20 30 GHEDRO C[N@H+](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cc1ccccc1 ZINC000609516420 883286780 /nfs/dbraw/zinc/28/67/80/883286780.db2.gz IOYLSBRJZJNATC-UHFFFAOYSA-N 1 0 386.455 3.607 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3Cl)CC2)C1=O ZINC001275221032 912690956 /nfs/dbraw/zinc/69/09/56/912690956.db2.gz WRAUTLMJZZZEMR-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000761674518 883350004 /nfs/dbraw/zinc/35/00/04/883350004.db2.gz VVNJWUMMKZZSRC-QFBILLFUSA-N 1 0 396.466 3.760 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000609553771 883366735 /nfs/dbraw/zinc/36/67/35/883366735.db2.gz GCCGYPNCEBEFFI-QGZVFWFLSA-N 1 0 380.492 3.987 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193788500 883501803 /nfs/dbraw/zinc/50/18/03/883501803.db2.gz JUJYEZMECCHUPO-IBGZPJMESA-N 1 0 380.488 3.512 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000804988902 883505341 /nfs/dbraw/zinc/50/53/41/883505341.db2.gz AIAJPSVRZCXKTK-DEOSSOPVSA-N 1 0 389.543 3.832 20 30 GHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC2(CCCC2)O1 ZINC000190965974 883514998 /nfs/dbraw/zinc/51/49/98/883514998.db2.gz HDXTXCDSQJVAIC-UHFFFAOYSA-N 1 0 387.549 3.861 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1=O ZINC001170472687 883516039 /nfs/dbraw/zinc/51/60/39/883516039.db2.gz BQGDBXVNMQWNOF-OKYOBFRVSA-N 1 0 393.572 3.710 20 30 GHEDRO CC[NH+]=C(NCc1cccc(NC(=O)N2CCCC2)c1)N1CCc2ccccc21 ZINC000263075528 883532540 /nfs/dbraw/zinc/53/25/40/883532540.db2.gz CJTLNBSZIQNISG-UHFFFAOYSA-N 1 0 391.519 3.843 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCOCC1 ZINC000859118526 883599892 /nfs/dbraw/zinc/59/98/92/883599892.db2.gz OJAFEJDYMLNBFS-CRAIPNDOSA-N 1 0 382.426 3.914 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[C@]3(C2)OCc2ccccc23)c2ccccc21 ZINC000186619814 883675060 /nfs/dbraw/zinc/67/50/60/883675060.db2.gz NJYVWQWWKPTVOQ-XMMPIXPASA-N 1 0 385.467 3.869 20 30 GHEDRO COCCOc1ccccc1C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000064614244 883752781 /nfs/dbraw/zinc/75/27/81/883752781.db2.gz ZARBDNANAQAXND-UHFFFAOYSA-N 1 0 384.476 3.693 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3cccc(F)c3F)CCCC2)CC1 ZINC000494799738 883773034 /nfs/dbraw/zinc/77/30/34/883773034.db2.gz KYOPZUBFQKRFRK-UHFFFAOYSA-N 1 0 377.479 3.726 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccnc2ccccc12 ZINC000609907599 883787520 /nfs/dbraw/zinc/78/75/20/883787520.db2.gz NXUZHPPBKXEQRY-UHFFFAOYSA-N 1 0 386.499 3.629 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@H](C)C1 ZINC000859419065 883806372 /nfs/dbraw/zinc/80/63/72/883806372.db2.gz JMCSSLPOCFFVAZ-DENIHFKCSA-N 1 0 397.563 3.623 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc1 ZINC000859420795 883807445 /nfs/dbraw/zinc/80/74/45/883807445.db2.gz YNGNLSSVEQIVKU-OAQYLSRUSA-N 1 0 394.519 3.977 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3nc(C)cs3)CCC2)c(OC)c1 ZINC000494809911 883871653 /nfs/dbraw/zinc/87/16/53/883871653.db2.gz LQFPYKHHBTWJNC-KRWDZBQOSA-N 1 0 388.533 3.597 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859724905 884014949 /nfs/dbraw/zinc/01/49/49/884014949.db2.gz BOKSLRXSIKODLH-OAQYLSRUSA-N 1 0 375.516 3.816 20 30 GHEDRO COc1ccc2c(c1)C[C@@H]([NH+]1CCC(Oc3ccc(C#N)cc3OC)CC1)C2 ZINC001168282029 884126542 /nfs/dbraw/zinc/12/65/42/884126542.db2.gz HOHDWSBSJMZZNY-IBGZPJMESA-N 1 0 378.472 3.586 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929055 884178370 /nfs/dbraw/zinc/17/83/70/884178370.db2.gz VQOLVAOTGGUZLZ-ZIBCJSCZSA-N 1 0 394.478 3.959 20 30 GHEDRO N#C[C@H](Cc1ccc(F)cc1F)OC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805914912 884198142 /nfs/dbraw/zinc/19/81/42/884198142.db2.gz SYDJEIDOPVYYMO-FQEVSTJZSA-N 1 0 384.426 3.855 20 30 GHEDRO CC(C)(C#N)CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000859957604 884211217 /nfs/dbraw/zinc/21/12/17/884211217.db2.gz YWSKBBZSMSZWNP-QZTJIDSGSA-N 1 0 383.517 3.842 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000498380621 884227966 /nfs/dbraw/zinc/22/79/66/884227966.db2.gz LCAGQBNETXTYGK-PMACEKPBSA-N 1 0 381.907 3.906 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)OC(C)(C)C)cc1C#N ZINC000860038064 884280307 /nfs/dbraw/zinc/28/03/07/884280307.db2.gz NBIDRSXIYDCFHF-RNQOJCNYSA-N 1 0 397.519 3.644 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000487815207 884296671 /nfs/dbraw/zinc/29/66/71/884296671.db2.gz HHBLTPAVKHSSDK-CHWSQXEVSA-N 1 0 379.302 3.563 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000465462405 884326726 /nfs/dbraw/zinc/32/67/26/884326726.db2.gz BKQHAKXTPGCRKR-PMACEKPBSA-N 1 0 393.535 3.683 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495069834 884495767 /nfs/dbraw/zinc/49/57/67/884495767.db2.gz UWKJLNHTHZJDQZ-FOIQADDNSA-N 1 0 393.936 3.607 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000044013957 884723659 /nfs/dbraw/zinc/72/36/59/884723659.db2.gz XUNDEICOALMQQU-NRFANRHFSA-N 1 0 398.551 3.743 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000806458744 884728076 /nfs/dbraw/zinc/72/80/76/884728076.db2.gz NFJHOCHTBQGDFX-UHFFFAOYSA-N 1 0 379.479 3.635 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC001183872332 912865915 /nfs/dbraw/zinc/86/59/15/912865915.db2.gz XLELLAAEYSJKMV-WMLDXEAASA-N 1 0 379.426 3.971 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001183889042 912875181 /nfs/dbraw/zinc/87/51/81/912875181.db2.gz CLXLZRCEPFGKMU-QHCPKHFHSA-N 1 0 386.499 3.844 20 30 GHEDRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000286773166 912888318 /nfs/dbraw/zinc/88/83/18/912888318.db2.gz UCQORIPPXULWSD-UHFFFAOYSA-N 1 0 387.480 3.504 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)CC1 ZINC000761945572 885019571 /nfs/dbraw/zinc/01/95/71/885019571.db2.gz AGXGHGYGWFYGDT-UHFFFAOYSA-N 1 0 385.511 3.907 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806931157 885097951 /nfs/dbraw/zinc/09/79/51/885097951.db2.gz KLAVJQKFFSIXRM-UHFFFAOYSA-N 1 0 389.540 3.657 20 30 GHEDRO CC(C)[C@@H](CO)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173413540 885170639 /nfs/dbraw/zinc/17/06/39/885170639.db2.gz URMADWYUXZITHY-HXUWFJFHSA-N 1 0 376.460 3.627 20 30 GHEDRO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000556511186 885172209 /nfs/dbraw/zinc/17/22/09/885172209.db2.gz DNQWJCCPCAKLBA-GECPCNCSSA-N 1 0 378.472 3.619 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000807467471 885463382 /nfs/dbraw/zinc/46/33/82/885463382.db2.gz RGMKAEILOFTAJT-DHIUTWEWSA-N 1 0 375.516 3.537 20 30 GHEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000556563288 885466467 /nfs/dbraw/zinc/46/64/67/885466467.db2.gz SKUZLNKSMJIPKQ-GOSISDBHSA-N 1 0 394.475 3.917 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001275282806 912946038 /nfs/dbraw/zinc/94/60/38/912946038.db2.gz VEGCUERJLMEDPV-IBGZPJMESA-N 1 0 381.303 3.911 20 30 GHEDRO CC(C)(C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000861509224 885593226 /nfs/dbraw/zinc/59/32/26/885593226.db2.gz HVIKDHDQQOZSTD-DEOSSOPVSA-N 1 0 375.516 3.864 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000495391582 885646235 /nfs/dbraw/zinc/64/62/35/885646235.db2.gz QGGISHNTWMSTLR-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO C[C@@H](O)C[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCCCC1 ZINC000108364008 885667229 /nfs/dbraw/zinc/66/72/29/885667229.db2.gz QODMBBGSUUGTMF-DLBZAZTESA-N 1 0 389.565 3.892 20 30 GHEDRO CCc1cc(Cl)cnc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000861604898 885686383 /nfs/dbraw/zinc/68/63/83/885686383.db2.gz UHSINHRMKNVNGS-UHFFFAOYSA-N 1 0 397.910 3.955 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858512 885958391 /nfs/dbraw/zinc/95/83/91/885958391.db2.gz VBRBSYZHXTWNDS-GGAORHGYSA-N 1 0 386.580 3.599 20 30 GHEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000915217086 886046719 /nfs/dbraw/zinc/04/67/19/886046719.db2.gz YCDUOLIYVKVOHB-BEFAXECRSA-N 1 0 386.455 3.925 20 30 GHEDRO COC(=O)CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCO1 ZINC000532575305 886152746 /nfs/dbraw/zinc/15/27/46/886152746.db2.gz FVCYWPNOHOVINL-NRFANRHFSA-N 1 0 378.472 3.769 20 30 GHEDRO Cc1nc(Cl)c(Cl)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000808262682 886201615 /nfs/dbraw/zinc/20/16/15/886201615.db2.gz CNCRXUVLGOTMHX-UHFFFAOYSA-N 1 0 391.302 3.773 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000762467555 886246318 /nfs/dbraw/zinc/24/63/18/886246318.db2.gz DHJFXAYYIVFCEL-LJQANCHMSA-N 1 0 386.492 3.915 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000915320395 886337200 /nfs/dbraw/zinc/33/72/00/886337200.db2.gz WNIAABCZGXBRME-KRWDZBQOSA-N 1 0 377.492 3.583 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000862611562 886493002 /nfs/dbraw/zinc/49/30/02/886493002.db2.gz WINDPHGGGUBHPM-HSZRJFAPSA-N 1 0 391.515 3.500 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000121043643 886537872 /nfs/dbraw/zinc/53/78/72/886537872.db2.gz HCKKBENAOWEXAG-UHFFFAOYSA-N 1 0 382.552 3.651 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000862689711 886543182 /nfs/dbraw/zinc/54/31/82/886543182.db2.gz CRYQZFISMMFCHY-QHCPKHFHSA-N 1 0 391.515 3.500 20 30 GHEDRO COc1ccc(OCC[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000119352940 886568515 /nfs/dbraw/zinc/56/85/15/886568515.db2.gz ZAHXHRJYEUJPNG-UHFFFAOYSA-N 1 0 390.487 3.983 20 30 GHEDRO CCCNc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000192581507 886675187 /nfs/dbraw/zinc/67/51/87/886675187.db2.gz UTNDHIXDMJSCGD-UHFFFAOYSA-N 1 0 393.535 3.654 20 30 GHEDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1O ZINC000808716483 886698979 /nfs/dbraw/zinc/69/89/79/886698979.db2.gz OHNJMRKLTPTRTO-AUUYWEPGSA-N 1 0 383.879 3.677 20 30 GHEDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cccc(C#N)c1Br ZINC001131446645 886800321 /nfs/dbraw/zinc/80/03/21/886800321.db2.gz OXIVHOKRTFSPNH-ZFWWWQNUSA-N 1 0 378.314 3.656 20 30 GHEDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cccc(C#N)c1Br ZINC001131446642 886800493 /nfs/dbraw/zinc/80/04/93/886800493.db2.gz OXIVHOKRTFSPNH-DZGCQCFKSA-N 1 0 378.314 3.656 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000125404637 886863651 /nfs/dbraw/zinc/86/36/51/886863651.db2.gz UBFJVSUHZCNEHV-YQHFOJDRSA-N 1 0 376.460 3.724 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000805329489 886999764 /nfs/dbraw/zinc/99/97/64/886999764.db2.gz LWNMMTLYPFKLBE-GCJKJVERSA-N 1 0 376.504 3.665 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CC1 ZINC000171721493 887057476 /nfs/dbraw/zinc/05/74/76/887057476.db2.gz XMQMHBUXDBHHQP-UHFFFAOYSA-N 1 0 392.425 3.580 20 30 GHEDRO CC(C)(O)COc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000272318374 887081441 /nfs/dbraw/zinc/08/14/41/887081441.db2.gz YBUSOVORUSXUFF-UHFFFAOYSA-N 1 0 379.504 3.784 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272434042 887487692 /nfs/dbraw/zinc/48/76/92/887487692.db2.gz NRIJTXZRHXIAFY-GOSISDBHSA-N 1 0 388.475 3.599 20 30 GHEDRO CN(CC[NH+](C)C)c1ccc(Br)cc1NCc1cccc(C#N)c1 ZINC000864015640 887520943 /nfs/dbraw/zinc/52/09/43/887520943.db2.gz BEAXKJYXYFZHFH-UHFFFAOYSA-N 1 0 387.325 3.931 20 30 GHEDRO C#Cc1ccc(C[NH2+]CCCN(Cc2cccnc2)C(=O)OC(C)(C)C)cc1 ZINC000809615445 887586241 /nfs/dbraw/zinc/58/62/41/887586241.db2.gz DDFRQXALDNOUQB-UHFFFAOYSA-N 1 0 379.504 3.980 20 30 GHEDRO N#Cc1ccc2ncc(C[N@H+](Cc3ccccc3)C[C@H](O)c3ccccc3)n2c1 ZINC000809699823 887682206 /nfs/dbraw/zinc/68/22/06/887682206.db2.gz XHLYEQQIFQZXKY-QHCPKHFHSA-N 1 0 382.467 3.942 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000171274173 887733060 /nfs/dbraw/zinc/73/30/60/887733060.db2.gz CKSAUOXIMBVCSE-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N ZINC000809770850 887760161 /nfs/dbraw/zinc/76/01/61/887760161.db2.gz IANUGNZRVPANMS-JOCHJYFZSA-N 1 0 385.508 3.790 20 30 GHEDRO N#CCSc1ccccc1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000763129666 887770482 /nfs/dbraw/zinc/77/04/82/887770482.db2.gz DAMNKKCPPFKTFP-UHFFFAOYSA-N 1 0 381.501 3.511 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC000810132719 888200017 /nfs/dbraw/zinc/20/00/17/888200017.db2.gz UQANOMATYSSAKC-GOSISDBHSA-N 1 0 396.535 3.539 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)c1ccccc1OCC#N)c1ccc(Cl)c(Cl)c1 ZINC001132175627 888334520 /nfs/dbraw/zinc/33/45/20/888334520.db2.gz HRONBLSSCZOOOE-KRWDZBQOSA-N 1 0 392.286 3.928 20 30 GHEDRO COC[C@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCCN1C(=O)OC(C)(C)C ZINC000810240997 888338913 /nfs/dbraw/zinc/33/89/13/888338913.db2.gz KOZPPBKMPSJXGO-DENIHFKCSA-N 1 0 385.508 3.551 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000865464255 888366526 /nfs/dbraw/zinc/36/65/26/888366526.db2.gz VNOTYMUXRHXSLA-OAQYLSRUSA-N 1 0 377.488 3.893 20 30 GHEDRO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000111899692 888401727 /nfs/dbraw/zinc/40/17/27/888401727.db2.gz OCRSZDAYCWOBCP-VGSWGCGISA-N 1 0 376.504 3.565 20 30 GHEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)c1ccc(Cl)cc1 ZINC000810470870 888547345 /nfs/dbraw/zinc/54/73/45/888547345.db2.gz LEFVADIZQJAZMI-HXUWFJFHSA-N 1 0 397.906 3.611 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccnn2C)cc1OC ZINC000865838819 888604276 /nfs/dbraw/zinc/60/42/76/888604276.db2.gz DAUWLHYMBVIYNO-LBPRGKRZSA-N 1 0 380.286 3.607 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC)cc2OC)no1 ZINC001211975389 888767405 /nfs/dbraw/zinc/76/74/05/888767405.db2.gz FZZYVNAAKWJBIY-QAPCUYQASA-N 1 0 389.496 3.832 20 30 GHEDRO C[C@H](OC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810662345 888785264 /nfs/dbraw/zinc/78/52/64/888785264.db2.gz AVZLRDFLXUCUPQ-GHTZIAJQSA-N 1 0 378.472 3.585 20 30 GHEDRO C=CCCO[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000496465012 888817501 /nfs/dbraw/zinc/81/75/01/888817501.db2.gz ISULTIVTHDEDNQ-MRXNPFEDSA-N 1 0 384.442 3.721 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000866354796 888842748 /nfs/dbraw/zinc/84/27/48/888842748.db2.gz OEIAOOFPZMEZJW-KRWDZBQOSA-N 1 0 399.963 3.546 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccc(N2CCOCC2)c1 ZINC000866444984 888881904 /nfs/dbraw/zinc/88/19/04/888881904.db2.gz GBQFHKMDRMMAFE-IBGZPJMESA-N 1 0 390.531 3.714 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000866495693 888905188 /nfs/dbraw/zinc/90/51/88/888905188.db2.gz QWGUSVAXVTXSES-MBSDFSHPSA-N 1 0 386.503 3.521 20 30 GHEDRO C#CCN(C(=O)NCC1CCN(Cc2csc(CC)n2)CC1)C1CCCC1 ZINC000121107775 888916491 /nfs/dbraw/zinc/91/64/91/888916491.db2.gz BHPNUSYQBHMWMI-UHFFFAOYSA-N 1 0 388.581 3.505 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc3ccccc31)C2 ZINC000866615701 888969024 /nfs/dbraw/zinc/96/90/24/888969024.db2.gz ILXMGZWJJCGQOI-QUCCMNQESA-N 1 0 399.416 3.651 20 30 GHEDRO COC(=O)c1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc(C(=O)OC)c1 ZINC001170623166 889091683 /nfs/dbraw/zinc/09/16/83/889091683.db2.gz LZHYPKNZIWLGKK-FQEVSTJZSA-N 1 0 380.444 3.785 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000454497736 889138972 /nfs/dbraw/zinc/13/89/72/889138972.db2.gz CYOGIQCVOUGNNB-IYBDPMFKSA-N 1 0 396.466 3.628 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000121804888 889158055 /nfs/dbraw/zinc/15/80/55/889158055.db2.gz KQTWNDYEXVBLHB-UHFFFAOYSA-N 1 0 389.503 3.517 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001132611681 889175311 /nfs/dbraw/zinc/17/53/11/889175311.db2.gz AECVWCMHXBPFSD-QFIPXVFZSA-N 1 0 375.516 3.889 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000121940106 889234300 /nfs/dbraw/zinc/23/43/00/889234300.db2.gz HEHSXAMKSOZLCL-PMACEKPBSA-N 1 0 381.476 3.848 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867975857 889243896 /nfs/dbraw/zinc/24/38/96/889243896.db2.gz BIPRSJPABMUYNH-RDTXWAMCSA-N 1 0 382.533 3.853 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000868115820 889302812 /nfs/dbraw/zinc/30/28/12/889302812.db2.gz DIXFISGYFURFQA-OALUTQOASA-N 1 0 392.459 3.717 20 30 GHEDRO COCCC1(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[NH2+]CC1 ZINC000868120541 889304269 /nfs/dbraw/zinc/30/42/69/889304269.db2.gz HPNQGIKTWPONTB-UHFFFAOYSA-N 1 0 394.475 3.631 20 30 GHEDRO CC(C)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1F ZINC000532928965 889304633 /nfs/dbraw/zinc/30/46/33/889304633.db2.gz JOGLGXZIDAXRCH-UHFFFAOYSA-N 1 0 391.450 3.732 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454580386 889315881 /nfs/dbraw/zinc/31/58/81/889315881.db2.gz ONVWVQZJGOBTMK-UHFFFAOYSA-N 1 0 398.429 3.837 20 30 GHEDRO C[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000454628028 889402406 /nfs/dbraw/zinc/40/24/06/889402406.db2.gz XWSHDCKAIKWLAI-GOSISDBHSA-N 1 0 375.516 3.690 20 30 GHEDRO C[C@@H](NC(=O)N(C)CCc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000868483575 889462933 /nfs/dbraw/zinc/46/29/33/889462933.db2.gz GCVKYMNRXHCISZ-XXBNENTESA-N 1 0 390.531 3.653 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063320478 889570511 /nfs/dbraw/zinc/57/05/11/889570511.db2.gz HJQMZRHTAWSIOR-UHFFFAOYSA-N 1 0 388.515 3.920 20 30 GHEDRO CC(C)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)(F)F ZINC000868749937 889580879 /nfs/dbraw/zinc/58/08/79/889580879.db2.gz XCLRLPKLYOLQNL-UHFFFAOYSA-N 1 0 378.467 3.503 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000063561405 889654467 /nfs/dbraw/zinc/65/44/67/889654467.db2.gz LOWATFLSXMYINY-RTBURBONSA-N 1 0 394.515 3.791 20 30 GHEDRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc(OCC#N)cc1 ZINC000245866661 889888517 /nfs/dbraw/zinc/88/85/17/889888517.db2.gz IRXGAPZYKVPGRE-KNXBSLHKSA-N 1 0 399.922 3.965 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cccc(OC)n1)[n+]1ccc(C(C)(C)C)cc1 ZINC000811721949 889920830 /nfs/dbraw/zinc/92/08/30/889920830.db2.gz AGBPMQSFWPBKIA-UHFFFAOYSA-O 1 0 384.525 3.662 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000125288912 889939298 /nfs/dbraw/zinc/93/92/98/889939298.db2.gz VZJRXZZIDSKGCP-SFHVURJKSA-N 1 0 388.531 3.515 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000245951122 890063392 /nfs/dbraw/zinc/06/33/92/890063392.db2.gz PDONJMAMVFPGGY-WOIUINJBSA-N 1 0 398.551 3.562 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc(C#N)c1 ZINC000533231352 890069709 /nfs/dbraw/zinc/06/97/09/890069709.db2.gz VOLWWLSUFCUKEL-JOCHJYFZSA-N 1 0 399.498 3.691 20 30 GHEDRO C=CC[N@H+](Cc1cnc(-c2ccccc2)nc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000533281515 890178048 /nfs/dbraw/zinc/17/80/48/890178048.db2.gz GOSHJYAWSULKGT-GOSISDBHSA-N 1 0 397.486 3.869 20 30 GHEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001170651476 890179027 /nfs/dbraw/zinc/17/90/27/890179027.db2.gz WELQKIZEFDABCB-FGSXEWAUSA-N 1 0 399.498 3.949 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1C#N ZINC000033085272 890281970 /nfs/dbraw/zinc/28/19/70/890281970.db2.gz PHFVHUFJBMKFDQ-UHFFFAOYSA-N 1 0 380.517 3.544 20 30 GHEDRO N#CC1(COC(=O)c2c(Cl)n[nH]c2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000870457086 890364139 /nfs/dbraw/zinc/36/41/39/890364139.db2.gz RUTSUYZXVNXURZ-UHFFFAOYSA-N 1 0 398.894 3.903 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cn2)cc1 ZINC000871183323 890681615 /nfs/dbraw/zinc/68/16/15/890681615.db2.gz AWFBSULULUOIDS-UHFFFAOYSA-N 1 0 399.498 3.654 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(c2ccccc2)CCC1 ZINC000533487142 890699559 /nfs/dbraw/zinc/69/95/59/890699559.db2.gz RQDHEFFFAWJITL-UHFFFAOYSA-N 1 0 394.519 3.621 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533506225 890713038 /nfs/dbraw/zinc/71/30/38/890713038.db2.gz UTUSSLHESBJFMV-FUHWJXTLSA-N 1 0 398.482 3.644 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000027362993 890775512 /nfs/dbraw/zinc/77/55/12/890775512.db2.gz JCVLAHMYCVDVBB-QHCPKHFHSA-N 1 0 388.515 3.927 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC000455424592 890937431 /nfs/dbraw/zinc/93/74/31/890937431.db2.gz PIHJFJCWLVHFLQ-UHFFFAOYSA-N 1 0 393.531 3.774 20 30 GHEDRO COc1ccc([C@H](O)C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000812774532 890950265 /nfs/dbraw/zinc/95/02/65/890950265.db2.gz QOFNPLLRIMPELN-SBUREZEXSA-N 1 0 380.488 3.932 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(CC#N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000871724778 890992680 /nfs/dbraw/zinc/99/26/80/890992680.db2.gz IHUXCYNVLIWKJH-XLIONFOSSA-N 1 0 377.492 3.664 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000812864948 891081989 /nfs/dbraw/zinc/08/19/89/891081989.db2.gz BTRJIWCENNSGFS-XMSQKQJNSA-N 1 0 388.552 3.644 20 30 GHEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000497345741 891103640 /nfs/dbraw/zinc/10/36/40/891103640.db2.gz IDHLLPRJDMMJIY-IBGZPJMESA-N 1 0 396.491 3.565 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000812933710 891139188 /nfs/dbraw/zinc/13/91/88/891139188.db2.gz LAGNTOORBQEWPE-JOCHJYFZSA-N 1 0 379.479 3.985 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000067010978 891139308 /nfs/dbraw/zinc/13/93/08/891139308.db2.gz NNNAJRPYSQHLJX-UHFFFAOYSA-N 1 0 392.503 3.675 20 30 GHEDRO C#C[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812933751 891139309 /nfs/dbraw/zinc/13/93/09/891139309.db2.gz LXXWFGPIIGNJFN-DENIHFKCSA-N 1 0 379.479 3.664 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000872222431 891212836 /nfs/dbraw/zinc/21/28/36/891212836.db2.gz UTWZGOBUUOUGFH-HXUWFJFHSA-N 1 0 389.421 3.869 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN(C)[C@H]2CCC[C@H]2C#N)c1=S ZINC000872682045 891302029 /nfs/dbraw/zinc/30/20/29/891302029.db2.gz LSKDDEKBJQMMFJ-ULQDDVLXSA-N 1 0 378.590 3.808 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000917114294 891317127 /nfs/dbraw/zinc/31/71/27/891317127.db2.gz ZXKQFNJLHYATJD-UHFFFAOYSA-N 1 0 399.494 3.866 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1=S ZINC000872738884 891318328 /nfs/dbraw/zinc/31/83/28/891318328.db2.gz WBHMTTAARNBWSD-GOSISDBHSA-N 1 0 389.544 3.636 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(-c3cccs3)nc3ccccc32)CC1 ZINC000917126262 891342946 /nfs/dbraw/zinc/34/29/46/891342946.db2.gz SKXFNUSQGNSJNV-UHFFFAOYSA-N 1 0 376.485 3.681 20 30 GHEDRO CC1(C)CCc2onc(CNC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2C1 ZINC000873174615 891500588 /nfs/dbraw/zinc/50/05/88/891500588.db2.gz LRPSLODEUVXVFR-UHFFFAOYSA-N 1 0 378.520 3.815 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000128254165 891514113 /nfs/dbraw/zinc/51/41/13/891514113.db2.gz GHMNBXPMCXBMDY-UHFFFAOYSA-N 1 0 392.547 3.597 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873311441 891575588 /nfs/dbraw/zinc/57/55/88/891575588.db2.gz XIQVGAJRZWXOOQ-YJBOKZPZSA-N 1 0 380.517 3.774 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC(C)(C)C)cc1 ZINC000127691084 891689563 /nfs/dbraw/zinc/68/95/63/891689563.db2.gz UAEMEVGGZKLVCW-UHFFFAOYSA-O 1 0 386.497 3.772 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000497511847 891771681 /nfs/dbraw/zinc/77/16/81/891771681.db2.gz KXTIOYDAPJCNGM-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO Cc1nc(SCC(=O)Nc2ccc(OCC[NH+](C)C)cc2)c(C#N)c(C)c1C ZINC000128588724 892174913 /nfs/dbraw/zinc/17/49/13/892174913.db2.gz QNBXYVOWUXVWTM-UHFFFAOYSA-N 1 0 398.532 3.550 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000729809137 892221820 /nfs/dbraw/zinc/22/18/20/892221820.db2.gz IOMXJXXAJCRVKG-GOSISDBHSA-N 1 0 386.542 3.998 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3CCCCN3[C@H]3CC[NH2+]C3)n2)cc1Cl ZINC001212103482 892278408 /nfs/dbraw/zinc/27/84/08/892278408.db2.gz WUVSXIAOXTXIPP-BLLLJJGKSA-N 1 0 392.290 3.804 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc(-c4cccs4)s3)C2=O)cc1 ZINC000192243458 892335842 /nfs/dbraw/zinc/33/58/42/892335842.db2.gz SELGDTCQXSYMNW-KRWDZBQOSA-N 1 0 394.525 3.634 20 30 GHEDRO CC(C)(O)C[NH+]1CCC(=NNC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000814214161 892398793 /nfs/dbraw/zinc/39/87/93/892398793.db2.gz VESAYCLQZASRCO-UHFFFAOYSA-N 1 0 389.352 3.503 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)N[C@H](C)CC)cc1 ZINC000154526367 892572150 /nfs/dbraw/zinc/57/21/50/892572150.db2.gz DHBWFBFQZQFPSH-CQSZACIVSA-O 1 0 386.497 3.772 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645106133 913678781 /nfs/dbraw/zinc/67/87/81/913678781.db2.gz JYBMSCAYICCCMK-RHSMWYFYSA-N 1 0 382.426 3.874 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508696076 892658183 /nfs/dbraw/zinc/65/81/83/892658183.db2.gz GEYDPKHAZAQKNA-FQEVSTJZSA-N 1 0 395.551 3.725 20 30 GHEDRO C/C(=N\C#N)N(C)Cc1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc1 ZINC001170749031 892748752 /nfs/dbraw/zinc/74/87/52/892748752.db2.gz RNJFTEJMUAIWQK-HLELUFFISA-N 1 0 390.535 3.532 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)ccc1OC ZINC000825826980 892862240 /nfs/dbraw/zinc/86/22/40/892862240.db2.gz KMYRRPMQBWFWLI-PMACEKPBSA-N 1 0 399.535 3.789 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271858326 892878013 /nfs/dbraw/zinc/87/80/13/892878013.db2.gz STHOGVDKHIXDFD-HNNXBMFYSA-N 1 0 395.528 3.773 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1C ZINC000125817287 893025432 /nfs/dbraw/zinc/02/54/32/893025432.db2.gz OBRRHCMZCZZENN-LJQANCHMSA-N 1 0 379.504 3.819 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814644484 893033929 /nfs/dbraw/zinc/03/39/29/893033929.db2.gz NELPHYOEOPTOTA-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc2c(c1)CCO2 ZINC000933488457 893056514 /nfs/dbraw/zinc/05/65/14/893056514.db2.gz KRVQUOKDBJZWNK-KDOFPFPSSA-N 1 0 384.439 3.509 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CCCSCC#N)C2)C1 ZINC000814671433 893079232 /nfs/dbraw/zinc/07/92/32/893079232.db2.gz BJJAUWKHPFEZDP-MSOLQXFVSA-N 1 0 381.586 3.992 20 30 GHEDRO N#Cc1ccnc(C[N@H+]2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 ZINC001170757893 893080444 /nfs/dbraw/zinc/08/04/44/893080444.db2.gz WNCSBBBHLZMQPQ-APWZRJJASA-N 1 0 386.293 3.661 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000508739904 893096522 /nfs/dbraw/zinc/09/65/22/893096522.db2.gz MYIVDVOIWZHBBA-IBGZPJMESA-N 1 0 376.508 3.560 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000129198591 893155715 /nfs/dbraw/zinc/15/57/15/893155715.db2.gz ZEEOOVONZCPKNB-QAPCUYQASA-N 1 0 392.425 3.744 20 30 GHEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000562985702 893246051 /nfs/dbraw/zinc/24/60/51/893246051.db2.gz CWPSYPWYZSGQCQ-ZDUSSCGKSA-N 1 0 397.327 3.860 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455781252 893265982 /nfs/dbraw/zinc/26/59/82/893265982.db2.gz IWJOOBJFUYDJIS-CABCVRRESA-N 1 0 375.904 3.725 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 ZINC000876669157 893281863 /nfs/dbraw/zinc/28/18/63/893281863.db2.gz CQIQPOPRFLFERC-OAHLLOKOSA-N 1 0 379.888 3.622 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876797070 893331596 /nfs/dbraw/zinc/33/15/96/893331596.db2.gz MFNWAZJPMAQBDE-BJKOFHAPSA-N 1 0 375.516 3.919 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000876909685 893384457 /nfs/dbraw/zinc/38/44/57/893384457.db2.gz FIYDBIBASMYRNP-WBVHZDCISA-N 1 0 376.863 3.739 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH+]1CCC(c3ccc(Cl)cc3Cl)CC1)C2 ZINC000563150297 893407995 /nfs/dbraw/zinc/40/79/95/893407995.db2.gz MKDTTYKJDBGKND-CYBMUJFWSA-N 1 0 390.318 3.983 20 30 GHEDRO N#Cc1ccc(C2(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)CCCC2)cc1 ZINC000876968053 893413452 /nfs/dbraw/zinc/41/34/52/893413452.db2.gz CXDFMWVAHOXMDB-OAQYLSRUSA-N 1 0 375.472 3.670 20 30 GHEDRO CCCCCCCNC(=O)c1sc2c(c1I)CNC2 ZINC000876988337 893421069 /nfs/dbraw/zinc/42/10/69/893421069.db2.gz CCBUFZSOICVSKC-UHFFFAOYSA-N 1 0 392.306 3.656 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccnc3c(C(=O)OC)cccc23)c1 ZINC000877046581 893456567 /nfs/dbraw/zinc/45/65/67/893456567.db2.gz QLUSESXYOKBNCW-GOSISDBHSA-N 1 0 389.455 3.992 20 30 GHEDRO CCOc1cc(Cl)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000498174330 893468270 /nfs/dbraw/zinc/46/82/70/893468270.db2.gz WRDTUWCHIBBUJR-UHFFFAOYSA-N 1 0 385.895 3.814 20 30 GHEDRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C1CC1 ZINC000563312007 893612199 /nfs/dbraw/zinc/61/21/99/893612199.db2.gz ZRPIVQWOOORLDL-UHFFFAOYSA-N 1 0 392.551 3.786 20 30 GHEDRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000563364267 893667167 /nfs/dbraw/zinc/66/71/67/893667167.db2.gz ORYOHIPJKQRHLS-AWEZNQCLSA-N 1 0 388.924 3.812 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccc(F)cc3Cl)CC2)CC1 ZINC000498245158 893716370 /nfs/dbraw/zinc/71/63/70/893716370.db2.gz WYHUYTHTQBAGEO-UHFFFAOYSA-N 1 0 379.907 3.850 20 30 GHEDRO C[C@H](CCC#N)C[NH+]1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877660121 893750022 /nfs/dbraw/zinc/75/00/22/893750022.db2.gz DUUNLYSZBVIWQG-IEBWSBKVSA-N 1 0 379.545 3.664 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000877683607 893760079 /nfs/dbraw/zinc/76/00/79/893760079.db2.gz DRXNNTSSYWMTHO-KZNAEPCWSA-N 1 0 379.545 3.758 20 30 GHEDRO CC(C)(C)OC(=O)NCCC1CC([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000877682993 893760344 /nfs/dbraw/zinc/76/03/44/893760344.db2.gz WIGRJSWYSGVBAD-UHFFFAOYSA-N 1 0 398.551 3.810 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000556123203 893813100 /nfs/dbraw/zinc/81/31/00/893813100.db2.gz MAADPCZZEVDBJI-VHKYSDTDSA-N 1 0 382.895 3.574 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)ccc1OC(F)(F)F ZINC000563493478 893822138 /nfs/dbraw/zinc/82/21/38/893822138.db2.gz RMLGKVXDPWBQAE-XJKSGUPXSA-N 1 0 396.413 3.843 20 30 GHEDRO C[C@@H](NCC#CCN[C@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459635894 893945372 /nfs/dbraw/zinc/94/53/72/893945372.db2.gz UTYHRZZHCKBOLI-ZIAGYGMSSA-N 1 0 386.590 3.582 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459659580 894008573 /nfs/dbraw/zinc/00/85/73/894008573.db2.gz MMBURIXQTXHAJZ-GOOCMWNKSA-N 1 0 394.313 3.761 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459671312 894042240 /nfs/dbraw/zinc/04/22/40/894042240.db2.gz WKQRUTLSSYEADZ-KRWDZBQOSA-N 1 0 395.425 3.568 20 30 GHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H](OC1CCOCC1)c1ccccc1 ZINC000563682832 894064887 /nfs/dbraw/zinc/06/48/87/894064887.db2.gz JJBLCJHJEDLAQA-HXOBKFHXSA-N 1 0 390.487 3.621 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](Cc2nc3c(c(=O)[nH]2)COCC3)C(C)(C)C)cc1 ZINC000878192914 894084288 /nfs/dbraw/zinc/08/42/88/894084288.db2.gz ODNIUFOFVBYORJ-UHFFFAOYSA-N 1 0 383.492 3.620 20 30 GHEDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCC2 ZINC000459780564 894182201 /nfs/dbraw/zinc/18/22/01/894182201.db2.gz XXRWIEDABBSYNA-RTBURBONSA-N 1 0 384.524 3.577 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc(OC)cc3)CC2)cc1 ZINC000537058534 894250113 /nfs/dbraw/zinc/25/01/13/894250113.db2.gz JKMQXSWZPAXNTJ-UHFFFAOYSA-N 1 0 393.487 3.619 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000459854782 894277172 /nfs/dbraw/zinc/27/71/72/894277172.db2.gz HNGBEKPNLDWBJL-JOCHJYFZSA-N 1 0 379.508 3.791 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022687792 894278340 /nfs/dbraw/zinc/27/83/40/894278340.db2.gz ZCKBQIGCXPJXQV-UHFFFAOYSA-O 1 0 382.553 3.878 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 ZINC000022687508 894278427 /nfs/dbraw/zinc/27/84/27/894278427.db2.gz QYDFKVLGOLQEKT-UHFFFAOYSA-O 1 0 387.475 3.846 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022692180 894282435 /nfs/dbraw/zinc/28/24/35/894282435.db2.gz LRWPJJLSDZAREK-MRXNPFEDSA-O 1 0 389.566 3.614 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC[C@@H]21 ZINC000878432405 894285363 /nfs/dbraw/zinc/28/53/63/894285363.db2.gz DHNDZCJYFBFWMY-XLIONFOSSA-N 1 0 376.460 3.908 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(C)C)cc1)C(=S)NCCOC ZINC000022794063 894405470 /nfs/dbraw/zinc/40/54/70/894405470.db2.gz WAEAVWIJYVMGHN-UHFFFAOYSA-O 1 0 385.553 3.835 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000022797532 894406832 /nfs/dbraw/zinc/40/68/32/894406832.db2.gz WZUSXINKGNABAB-UHFFFAOYSA-O 1 0 396.580 3.913 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564005145 894441400 /nfs/dbraw/zinc/44/14/00/894441400.db2.gz BNXQAAMZDIUWDL-FQEVSTJZSA-N 1 0 388.519 3.545 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)ccc1OC ZINC000127268424 894491277 /nfs/dbraw/zinc/49/12/77/894491277.db2.gz PWSUQQIGSWNHRU-QFIPXVFZSA-N 1 0 396.531 3.813 20 30 GHEDRO C=CCc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(OC)c1O ZINC000564135770 894635969 /nfs/dbraw/zinc/63/59/69/894635969.db2.gz WCEGCGQSLJJAEZ-UHFFFAOYSA-N 1 0 381.432 3.851 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3ccc(Cl)c(OC)c3F)CC2)C1=O ZINC001275437263 913897692 /nfs/dbraw/zinc/89/76/92/913897692.db2.gz VDYAAIJKEVHMAZ-UHFFFAOYSA-N 1 0 380.891 3.878 20 30 GHEDRO C=CCCC[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000879342340 894995206 /nfs/dbraw/zinc/99/52/06/894995206.db2.gz ACVOHLFWWKGLIQ-PUHATCMVSA-N 1 0 383.580 3.611 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000897568278 895073610 /nfs/dbraw/zinc/07/36/10/895073610.db2.gz IPQNRQXJIFYNMN-UHFFFAOYSA-N 1 0 376.504 3.958 20 30 GHEDRO COc1ccc2nc(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)sc2c1 ZINC000564757566 895230441 /nfs/dbraw/zinc/23/04/41/895230441.db2.gz QOWLOBDJLYBQLS-UHFFFAOYSA-N 1 0 380.517 3.740 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cc2cnccc2o1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000879712953 895252161 /nfs/dbraw/zinc/25/21/61/895252161.db2.gz MUJIECJIBPQPKU-VXGBXAGGSA-N 1 0 380.473 3.927 20 30 GHEDRO N#CC1(NC(=O)c2c[nH]c3cccc(F)c23)CC[NH+](Cc2ccccc2)CC1 ZINC000778447542 895265813 /nfs/dbraw/zinc/26/58/13/895265813.db2.gz WJLFCHOKYQLPPJ-UHFFFAOYSA-N 1 0 376.435 3.595 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CSc4ccccc4O3)CC2)cc1 ZINC000564960718 895327205 /nfs/dbraw/zinc/32/72/05/895327205.db2.gz GXUGWYYTYDGTQP-HXUWFJFHSA-N 1 0 379.529 3.666 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 ZINC000565130571 895411063 /nfs/dbraw/zinc/41/10/63/895411063.db2.gz WEEKVYFFIXCLFQ-UHFFFAOYSA-N 1 0 378.524 3.708 20 30 GHEDRO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)nc1C ZINC000880323797 895641004 /nfs/dbraw/zinc/64/10/04/895641004.db2.gz YGVRHIQVKZGHQC-MRXNPFEDSA-N 1 0 385.489 3.520 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCOC1 ZINC000880464728 895719055 /nfs/dbraw/zinc/71/90/55/895719055.db2.gz IPOIUTAQIFUUML-WMLDXEAASA-N 1 0 375.538 3.622 20 30 GHEDRO C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001170880720 895921176 /nfs/dbraw/zinc/92/11/76/895921176.db2.gz DVLDQZOZEVCPHW-MJGOQNOKSA-N 1 0 387.524 3.810 20 30 GHEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccccc1 ZINC000566024164 896053054 /nfs/dbraw/zinc/05/30/54/896053054.db2.gz JIZFPQFINJBLHD-RTWAWAEBSA-N 1 0 383.517 3.736 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)Nc2cccc(CC#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000881149952 896200341 /nfs/dbraw/zinc/20/03/41/896200341.db2.gz GBEIOOSHIAVYSJ-HKUYNNGSSA-N 1 0 377.492 3.570 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC001136150254 896205084 /nfs/dbraw/zinc/20/50/84/896205084.db2.gz NEXLDYGAHRPGLY-DLBZAZTESA-N 1 0 395.569 3.717 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000819069594 896386506 /nfs/dbraw/zinc/38/65/06/896386506.db2.gz XOZWQZGWIMXGHE-DNVCBOLYSA-N 1 0 389.293 3.953 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC2CC[NH+](CC)CC2)s1 ZINC000819154090 896409082 /nfs/dbraw/zinc/40/90/82/896409082.db2.gz GGDVNERFGUIESN-UHFFFAOYSA-N 1 0 388.002 3.687 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000819185778 896455800 /nfs/dbraw/zinc/45/58/00/896455800.db2.gz LQHDOYHCNCYVDF-CQSZACIVSA-N 1 0 388.002 3.685 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[N@@H+](C(C)C)CC2)s1 ZINC000819235966 896479036 /nfs/dbraw/zinc/47/90/36/896479036.db2.gz PDVGLEGVLILOHA-UHFFFAOYSA-N 1 0 388.002 3.781 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000566724632 896525837 /nfs/dbraw/zinc/52/58/37/896525837.db2.gz ICGPCLUGGVFWJY-OLMNPRSZSA-N 1 0 387.549 3.717 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000819310061 896545446 /nfs/dbraw/zinc/54/54/46/896545446.db2.gz YKVUCGMXGXDUIW-BXUZGUMPSA-N 1 0 388.002 3.637 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccc4cc(C#N)ccc4n3)CC2)cc1 ZINC000566837363 896617268 /nfs/dbraw/zinc/61/72/68/896617268.db2.gz PULLRYJZCIIJPV-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)[C@H](c2cnn(C)c2)C1 ZINC000882309172 896752447 /nfs/dbraw/zinc/75/24/47/896752447.db2.gz SCHHLMHAACBGIC-VXKWHMMOSA-N 1 0 391.519 3.622 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000882397022 896788644 /nfs/dbraw/zinc/78/86/44/896788644.db2.gz KATATGJPFFYYGS-SFHVURJKSA-N 1 0 380.879 3.748 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000882502634 896830034 /nfs/dbraw/zinc/83/00/34/896830034.db2.gz OEXCPNPKBZCLDO-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO Cc1cc(Br)cnc1N=NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000819826967 897012313 /nfs/dbraw/zinc/01/23/13/897012313.db2.gz CSROVTSYVPGADB-UHFFFAOYSA-N 1 0 379.224 3.969 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000567342979 897077134 /nfs/dbraw/zinc/07/71/34/897077134.db2.gz HLHYUTZCLJYTAK-CYBMUJFWSA-N 1 0 396.413 3.795 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000130425457 897082500 /nfs/dbraw/zinc/08/25/00/897082500.db2.gz XBBYRISMGSQEKA-UHFFFAOYSA-N 1 0 385.467 3.660 20 30 GHEDRO C=CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1nc2c(s1)CCCC2 ZINC000567449560 897168290 /nfs/dbraw/zinc/16/82/90/897168290.db2.gz PEIGZNNVGUGWNI-SFHVURJKSA-N 1 0 396.560 3.848 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@H]1Cc2ccccc2O1 ZINC000883170221 897340142 /nfs/dbraw/zinc/34/01/42/897340142.db2.gz OEQOCSCKWYBLKL-RBBKRZOGSA-N 1 0 380.488 3.812 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000567858493 897455578 /nfs/dbraw/zinc/45/55/78/897455578.db2.gz ANNDRARORDCERX-HZPDHXFCSA-N 1 0 393.457 3.668 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000131426361 897456377 /nfs/dbraw/zinc/45/63/77/897456377.db2.gz RBTILZZAVJGNLM-MOPGFXCFSA-N 1 0 386.540 3.962 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1F ZINC000820737575 897524808 /nfs/dbraw/zinc/52/48/08/897524808.db2.gz GNVHSPQRTDMPFZ-IBGZPJMESA-N 1 0 377.891 3.671 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000568365118 897784317 /nfs/dbraw/zinc/78/43/17/897784317.db2.gz QZKYRGOZWGQMAJ-HSZRJFAPSA-N 1 0 375.472 3.857 20 30 GHEDRO N#CC1CCC(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000282841501 898006452 /nfs/dbraw/zinc/00/64/52/898006452.db2.gz WHBDVCSRNMRJTQ-UHFFFAOYSA-N 1 0 388.943 3.934 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000568743865 898077307 /nfs/dbraw/zinc/07/73/07/898077307.db2.gz YEBGMWRBHBJNNW-LAUBAEHRSA-N 1 0 399.510 3.742 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000104326693 898139235 /nfs/dbraw/zinc/13/92/35/898139235.db2.gz MSMKYYDETBWTCH-UHFFFAOYSA-N 1 0 382.489 3.864 20 30 GHEDRO CC(C)n1ncc2cc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cnc21 ZINC000104716346 898158758 /nfs/dbraw/zinc/15/87/58/898158758.db2.gz YPYWHDZIBSVNPR-UHFFFAOYSA-N 1 0 375.476 3.927 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[NH+](C)C)cc1 ZINC000568852675 898166404 /nfs/dbraw/zinc/16/64/04/898166404.db2.gz YBNABUFGZBIKBP-IBGZPJMESA-N 1 0 383.452 3.551 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)cc1 ZINC000568859877 898171486 /nfs/dbraw/zinc/17/14/86/898171486.db2.gz ZFJALADYHUIMER-OBXNSHGQSA-N 1 0 388.870 3.763 20 30 GHEDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000107894368 898359320 /nfs/dbraw/zinc/35/93/20/898359320.db2.gz BVEYIQPWZCIKGV-IBGZPJMESA-N 1 0 379.529 3.922 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289604570 914259982 /nfs/dbraw/zinc/25/99/82/914259982.db2.gz ACVXSNHXJRTJHR-QFBILLFUSA-N 1 0 391.475 3.836 20 30 GHEDRO C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+](C2CC2)C1 ZINC000569316765 898538966 /nfs/dbraw/zinc/53/89/66/898538966.db2.gz JPNDGOXNMBNWJL-GOSISDBHSA-N 1 0 389.499 3.694 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000043489827 898631493 /nfs/dbraw/zinc/63/14/93/898631493.db2.gz SYYAVNZVDJCQMC-QGZVFWFLSA-N 1 0 377.492 3.501 20 30 GHEDRO CC(C)(C)c1ccc([C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C(F)(F)F)cc1 ZINC000884088276 898837457 /nfs/dbraw/zinc/83/74/57/898837457.db2.gz FFKOTROVXYNTCA-SXOSEBPOSA-N 1 0 393.453 3.843 20 30 GHEDRO CC(C)(C)c1ccc([C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C(F)(F)F)cc1 ZINC000884088275 898837620 /nfs/dbraw/zinc/83/76/20/898837620.db2.gz FFKOTROVXYNTCA-MJOCMJMXSA-N 1 0 393.453 3.843 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc(OC)c1OC ZINC000303093447 914295530 /nfs/dbraw/zinc/29/55/30/914295530.db2.gz DXTAGULDCFXLGV-IBGZPJMESA-N 1 0 398.503 3.901 20 30 GHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000569776515 898945593 /nfs/dbraw/zinc/94/55/93/898945593.db2.gz YKXYOHIWIGSHTM-LJQANCHMSA-N 1 0 395.551 3.931 20 30 GHEDRO Cc1nc(CN2CCC(CNc3cc(C(F)(F)F)cnc3C#N)CC2)oc1C ZINC000569789820 898956828 /nfs/dbraw/zinc/95/68/28/898956828.db2.gz DWAWUUPJGYCYTO-UHFFFAOYSA-N 1 0 393.413 3.901 20 30 GHEDRO CN(C(=O)/C=C/c1ccc(OCC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113094851 898959968 /nfs/dbraw/zinc/95/99/68/898959968.db2.gz QFLNTORTRYWLAJ-FMIVXFBMSA-N 1 0 389.499 3.725 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884127844 898997890 /nfs/dbraw/zinc/99/78/90/898997890.db2.gz OKACQUZOALYHHK-UTPFREOPSA-N 1 0 398.507 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000823437117 899026720 /nfs/dbraw/zinc/02/67/20/899026720.db2.gz ILKLCDRPCGUMCK-MBSDFSHPSA-N 1 0 397.519 3.658 20 30 GHEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2cccc(C#Cc3cccs3)c2)C[C@H](C)O1 ZINC000043996295 899085781 /nfs/dbraw/zinc/08/57/81/899085781.db2.gz DSTKZMBADXDCGL-ROUUACIJSA-N 1 0 397.544 3.769 20 30 GHEDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331883890 899242133 /nfs/dbraw/zinc/24/21/33/899242133.db2.gz FIAIMBUDSBVDRV-PMPSAXMXSA-N 1 0 389.565 3.699 20 30 GHEDRO COCC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000331896707 899250781 /nfs/dbraw/zinc/25/07/81/899250781.db2.gz HEKPCYGRZSNNMS-OAHLLOKOSA-N 1 0 389.565 3.822 20 30 GHEDRO O[C@H](COCc1ccccc1F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117432529 899372242 /nfs/dbraw/zinc/37/22/42/899372242.db2.gz KHLRIUQUBUARHL-LBPRGKRZSA-N 1 0 389.311 3.520 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884226369 899426710 /nfs/dbraw/zinc/42/67/10/899426710.db2.gz QSFPWONAAYVTIW-BOPJVZFOSA-N 1 0 394.544 3.777 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000332148908 899437681 /nfs/dbraw/zinc/43/76/81/899437681.db2.gz MNSKBRUUSQQFMA-SFHVURJKSA-N 1 0 375.488 3.768 20 30 GHEDRO C[NH+]=C(NCc1oc2ccccc2c1C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156154150 899453477 /nfs/dbraw/zinc/45/34/77/899453477.db2.gz PHBUSEVNPXPTHG-IBGZPJMESA-N 1 0 399.535 3.867 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000118817772 899477639 /nfs/dbraw/zinc/47/76/39/899477639.db2.gz QIDFAFQTVZSWEP-HXUWFJFHSA-N 1 0 392.503 3.861 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000570683708 899505477 /nfs/dbraw/zinc/50/54/77/899505477.db2.gz JJWKFJRDZMMLLX-CWKRKGSWSA-N 1 0 389.499 3.604 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(COCC(F)(F)F)c2)CC1 ZINC000119452628 899613383 /nfs/dbraw/zinc/61/33/83/899613383.db2.gz BIVCJEYSASYQIH-UHFFFAOYSA-N 1 0 399.457 3.605 20 30 GHEDRO C=CCNC(=O)c1cccc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)c1 ZINC000571482101 899882886 /nfs/dbraw/zinc/88/28/86/899882886.db2.gz SAZUGLPNLNSERY-UHFFFAOYSA-N 1 0 388.471 3.915 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1C#N ZINC000824955853 899906411 /nfs/dbraw/zinc/90/64/11/899906411.db2.gz ZSUCHFQVQVENLT-KRWDZBQOSA-N 1 0 394.425 3.813 20 30 GHEDRO COc1cc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)ccc1C#N ZINC000824982944 899926831 /nfs/dbraw/zinc/92/68/31/899926831.db2.gz FPITZIDMLFSDHU-UHFFFAOYSA-N 1 0 381.501 3.676 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000121030539 899938848 /nfs/dbraw/zinc/93/88/48/899938848.db2.gz GMXACWXUUXRSDM-UWJYYQICSA-N 1 0 377.488 3.549 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000825269259 900064884 /nfs/dbraw/zinc/06/48/84/900064884.db2.gz HVSWJXPVMSWVRP-AZUAARDMSA-N 1 0 398.551 3.810 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1OC ZINC000825336896 900101770 /nfs/dbraw/zinc/10/17/70/900101770.db2.gz AIPCREKYJWPPOM-KRWDZBQOSA-N 1 0 392.293 3.846 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000134958529 900152617 /nfs/dbraw/zinc/15/26/17/900152617.db2.gz FULPLZFMVRLLIJ-SSZFMOIBSA-N 1 0 387.833 3.980 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001202730015 900166325 /nfs/dbraw/zinc/16/63/25/900166325.db2.gz SCRBWBONLUVONZ-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000572412935 900174210 /nfs/dbraw/zinc/17/42/10/900174210.db2.gz GDZHMRICEGFPSN-JOCHJYFZSA-N 1 0 375.472 3.571 20 30 GHEDRO C=CCc1ccnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1C(OC)OC ZINC001171090011 900177095 /nfs/dbraw/zinc/17/70/95/900177095.db2.gz KHZHCLORXRGFMV-MRXNPFEDSA-N 1 0 377.488 3.861 20 30 GHEDRO CC(C)[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[NH+]1CCC(C)CC1 ZINC000135248569 900209744 /nfs/dbraw/zinc/20/97/44/900209744.db2.gz UWXVYAQDWOGSPB-SFHVURJKSA-N 1 0 376.476 3.606 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC)c(C(F)(F)F)c3)C2)C1=O ZINC001143639113 900263424 /nfs/dbraw/zinc/26/34/24/900263424.db2.gz PDUHUTWHAHJNRV-IBGZPJMESA-N 1 0 382.426 3.715 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)c(OCC)c(Cl)c3)C2)C1=O ZINC001143739123 900456035 /nfs/dbraw/zinc/45/60/35/900456035.db2.gz JGBXRFWFYHXISC-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000844295984 900684776 /nfs/dbraw/zinc/68/47/76/900684776.db2.gz TUFBPUBTHMBOEP-AWEZNQCLSA-N 1 0 388.468 3.592 20 30 GHEDRO Cn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000574075030 900764219 /nfs/dbraw/zinc/76/42/19/900764219.db2.gz CPYUTPPPIKCDBK-QFIPXVFZSA-N 1 0 376.504 3.740 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000574121316 900782451 /nfs/dbraw/zinc/78/24/51/900782451.db2.gz CDRCQQXBWGBITG-GHTZIAJQSA-N 1 0 385.895 3.634 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CCC1 ZINC000886218189 900892094 /nfs/dbraw/zinc/89/20/94/900892094.db2.gz PNQLIUNUQBIXQU-KRWDZBQOSA-N 1 0 380.891 3.605 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000886346888 900945238 /nfs/dbraw/zinc/94/52/38/900945238.db2.gz UDNWKFPVVMOHKQ-OAHLLOKOSA-N 1 0 383.414 3.679 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)CC1 ZINC001144074127 901005254 /nfs/dbraw/zinc/00/52/54/901005254.db2.gz DIXMBNMIYQBTHU-HXUWFJFHSA-N 1 0 384.524 3.955 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000574829815 901024141 /nfs/dbraw/zinc/02/41/41/901024141.db2.gz XHTCLSUHHPDAPB-HRAATJIYSA-N 1 0 379.479 3.754 20 30 GHEDRO C[C@@H](Cc1ccccc1)NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844596676 901062766 /nfs/dbraw/zinc/06/27/66/901062766.db2.gz MCNUISNLWOPBIF-SFHVURJKSA-N 1 0 392.572 3.618 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000844611527 901108577 /nfs/dbraw/zinc/10/85/77/901108577.db2.gz JQMAHIURSNDKKJ-HTAPYJJXSA-N 1 0 378.476 3.764 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000069576180 901118493 /nfs/dbraw/zinc/11/84/93/901118493.db2.gz RBDDVPSOXALHRA-UHFFFAOYSA-N 1 0 376.913 3.771 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[NH+]2CCCC2)cc1 ZINC000070754398 901153688 /nfs/dbraw/zinc/15/36/88/901153688.db2.gz YALCPMBQXYSDEZ-OAQYLSRUSA-N 1 0 378.476 3.720 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000844713969 901193772 /nfs/dbraw/zinc/19/37/72/901193772.db2.gz LQVLLLHIHNNGAG-XUVXKRRUSA-N 1 0 391.515 3.641 20 30 GHEDRO Cc1ccc2c(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)coc2c1 ZINC000047010392 901236402 /nfs/dbraw/zinc/23/64/02/901236402.db2.gz DQUHEEXOQOSWHZ-UHFFFAOYSA-N 1 0 375.472 3.746 20 30 GHEDRO C=C(C(=O)N1CC2(CC[NH2+]CC2)c2c1cccc2-c1cccnc1)C(F)(F)F ZINC001144207660 901257048 /nfs/dbraw/zinc/25/70/48/901257048.db2.gz RRXKMNUZHWREMG-UHFFFAOYSA-N 1 0 387.405 3.835 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(C(F)(F)F)c1 ZINC000575954565 901512399 /nfs/dbraw/zinc/51/23/99/901512399.db2.gz BKYIQBBZYBLFDB-QFBILLFUSA-N 1 0 379.426 3.898 20 30 GHEDRO COc1cc(C[NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)ccc1C#N ZINC000576183916 901770992 /nfs/dbraw/zinc/77/09/92/901770992.db2.gz NXVFDOZAQYSLIM-UHFFFAOYSA-N 1 0 384.789 3.836 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1snc(Cl)c1Cl ZINC000845320816 902039019 /nfs/dbraw/zinc/03/90/19/902039019.db2.gz SJIFJYZMSJTSKS-UHFFFAOYSA-N 1 0 383.304 3.526 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 ZINC001171177845 902088341 /nfs/dbraw/zinc/08/83/41/902088341.db2.gz BCUNZCRSEIFETN-KKSFZXQISA-N 1 0 375.488 3.818 20 30 GHEDRO COc1ccc(CCN2CCC([NH2+][C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171191885 902250846 /nfs/dbraw/zinc/25/08/46/902250846.db2.gz HBSPOTRRXJYJOT-IBGZPJMESA-N 1 0 377.532 3.795 20 30 GHEDRO CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125825635 902257187 /nfs/dbraw/zinc/25/71/87/902257187.db2.gz MDCWWWLJFLWUOY-HSZRJFAPSA-N 1 0 391.515 3.608 20 30 GHEDRO C[C@H]1CN(CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000047699430 902298171 /nfs/dbraw/zinc/29/81/71/902298171.db2.gz DLFPXJLYMJMHQX-PMACEKPBSA-N 1 0 393.531 3.726 20 30 GHEDRO CC(C)(C)n1ncc2c1ncnc2NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845773409 902379038 /nfs/dbraw/zinc/37/90/38/902379038.db2.gz PEHULVLFBBPLIL-UHFFFAOYSA-N 1 0 389.507 3.529 20 30 GHEDRO C#Cc1ccc(CN2CCO[C@H](c3ncn4c3cccc4Br)C2)cc1 ZINC001144568411 902399786 /nfs/dbraw/zinc/39/97/86/902399786.db2.gz UQGMMVWDDGGBJF-SFHVURJKSA-N 1 0 396.288 3.652 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4csc(C)n4)CO3)CC2)cc1 ZINC001144573433 902405678 /nfs/dbraw/zinc/40/56/78/902405678.db2.gz JPADQAFTKULUAE-NRFANRHFSA-N 1 0 382.529 3.773 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)NC(C)C)CC2)cc1 ZINC001144576150 902407939 /nfs/dbraw/zinc/40/79/39/902407939.db2.gz CKVPXLVETPBNQX-UHFFFAOYSA-N 1 0 376.500 3.850 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000577106659 902505158 /nfs/dbraw/zinc/50/51/58/902505158.db2.gz QLUKTQDKSQTJSN-PXNSSMCTSA-N 1 0 392.551 3.789 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171204102 902567385 /nfs/dbraw/zinc/56/73/85/902567385.db2.gz TWOICNPCGMOVKH-LJQANCHMSA-N 1 0 381.520 3.990 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000846049649 902636001 /nfs/dbraw/zinc/63/60/01/902636001.db2.gz OULYSVSGGDORQK-VQIMIIECSA-N 1 0 397.523 3.721 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001171211316 902648019 /nfs/dbraw/zinc/64/80/19/902648019.db2.gz CJZAVNAUSIWHNY-GAJHUEQPSA-N 1 0 377.463 3.757 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001171211401 902648732 /nfs/dbraw/zinc/64/87/32/902648732.db2.gz DHTVVHXPJSRFDW-KHMOSXFSSA-N 1 0 399.538 3.993 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC2CCOCC2)cc1 ZINC000263907929 902671139 /nfs/dbraw/zinc/67/11/39/902671139.db2.gz ITGHUKSHGRNTCI-UHFFFAOYSA-O 1 0 397.564 3.861 20 30 GHEDRO Cc1cccc(N([C@H](C)Cc2cccc(C#N)c2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001171210978 902682748 /nfs/dbraw/zinc/68/27/48/902682748.db2.gz ASSGMJSSPHLPSB-YGOYIFOWSA-N 1 0 375.516 3.825 20 30 GHEDRO Cc1cccc(N([C@H](C)Cc2cccc(C#N)c2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001171210970 902682947 /nfs/dbraw/zinc/68/29/47/902682947.db2.gz ASSGMJSSPHLPSB-FOVJLYNBSA-N 1 0 375.516 3.825 20 30 GHEDRO N#C[C@@H](C(=O)C[N@H+](CC1CC1)C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000263929544 902690301 /nfs/dbraw/zinc/69/03/01/902690301.db2.gz JPEHLFJUIKCLPP-SFHVURJKSA-N 1 0 378.476 3.556 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001171211697 902693945 /nfs/dbraw/zinc/69/39/45/902693945.db2.gz GJWKYBDVQKMMKB-WNOPAQSVSA-N 1 0 391.515 3.834 20 30 GHEDRO COC(OC)c1ccc(F)c(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000846106787 902719249 /nfs/dbraw/zinc/71/92/49/902719249.db2.gz JQNUJAUNCNDLEC-UHFFFAOYSA-N 1 0 397.494 3.743 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2)s1 ZINC000846143465 902750024 /nfs/dbraw/zinc/75/00/24/902750024.db2.gz CAFBPLFROIWIEV-UWJYYQICSA-N 1 0 380.517 3.557 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001171218018 902775235 /nfs/dbraw/zinc/77/52/35/902775235.db2.gz SVOKNXKXQLHJKL-AVRWGWEMSA-N 1 0 385.511 3.890 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001171216774 902782757 /nfs/dbraw/zinc/78/27/57/902782757.db2.gz LBRPLTCBKSCAKJ-RKNIQEAPSA-N 1 0 391.515 3.723 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1Cl ZINC000264055150 902811791 /nfs/dbraw/zinc/81/17/91/902811791.db2.gz AMMONUKAFYLBND-LBPRGKRZSA-N 1 0 393.318 3.861 20 30 GHEDRO COc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000264063338 902818704 /nfs/dbraw/zinc/81/87/04/902818704.db2.gz AAGPCNSQHIBTHN-UHFFFAOYSA-N 1 0 399.369 3.538 20 30 GHEDRO CC(C)COc1ccc(C(C)(C)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600723567 902844817 /nfs/dbraw/zinc/84/48/17/902844817.db2.gz WPVFKBIVTVITOH-HXUWFJFHSA-N 1 0 388.552 3.660 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001171221411 902889641 /nfs/dbraw/zinc/88/96/41/902889641.db2.gz MQIZLNWWJTXYOX-QMHKHESXSA-N 1 0 395.453 3.896 20 30 GHEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000048161954 902982288 /nfs/dbraw/zinc/98/22/88/902982288.db2.gz XHBROZSYZAYMCE-LJQANCHMSA-N 1 0 392.503 3.795 20 30 GHEDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000264360266 903043513 /nfs/dbraw/zinc/04/35/13/903043513.db2.gz IGSJTDNLIFIMGL-INIZCTEOSA-N 1 0 391.512 3.771 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)cc(OC)c1OC ZINC000772946844 903131862 /nfs/dbraw/zinc/13/18/62/903131862.db2.gz QOQBLRIQQAEZBJ-OAHLLOKOSA-N 1 0 380.492 3.943 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264524534 903169774 /nfs/dbraw/zinc/16/97/74/903169774.db2.gz XALOSEPUUXXYPO-NRFANRHFSA-N 1 0 396.535 3.593 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000577773571 903174170 /nfs/dbraw/zinc/17/41/70/903174170.db2.gz VNZVYNQTNCEZFA-UHFFFAOYSA-N 1 0 388.519 3.744 20 30 GHEDRO COc1ccc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)cc1C#N ZINC000772952475 903178605 /nfs/dbraw/zinc/17/86/05/903178605.db2.gz FZDJAVCHDBUOSJ-UHFFFAOYSA-N 1 0 379.382 3.928 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000846781179 903198160 /nfs/dbraw/zinc/19/81/60/903198160.db2.gz VBOSPNAEMDSMOE-SFHVURJKSA-N 1 0 376.504 3.517 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000577893331 903315276 /nfs/dbraw/zinc/31/52/76/903315276.db2.gz JOCZMFXDACCKMJ-HXUWFJFHSA-N 1 0 397.519 3.870 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2C2CC2)sc2c1CCCC2 ZINC000577934409 903360170 /nfs/dbraw/zinc/36/01/70/903360170.db2.gz VZSPDHQEJYWAIZ-INIZCTEOSA-N 1 0 375.563 3.655 20 30 GHEDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000601141795 903383076 /nfs/dbraw/zinc/38/30/76/903383076.db2.gz QBOMLJKLBNZGGH-QFIPXVFZSA-N 1 0 381.524 3.670 20 30 GHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000577994846 903426682 /nfs/dbraw/zinc/42/66/82/903426682.db2.gz YKXYOHIWIGSHTM-IBGZPJMESA-N 1 0 395.551 3.931 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 ZINC000601184460 903441082 /nfs/dbraw/zinc/44/10/82/903441082.db2.gz CWPVRJFCXVWVNZ-QHCPKHFHSA-N 1 0 384.483 3.906 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(OC)c1OC ZINC000601267568 903519050 /nfs/dbraw/zinc/51/90/50/903519050.db2.gz MXSIIFUXRVGSMD-IBGZPJMESA-N 1 0 380.492 3.680 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)/C=C/C(=O)c3ccc(C)cc3)CC2)c1 ZINC001146832896 903619743 /nfs/dbraw/zinc/61/97/43/903619743.db2.gz IVWWUJMXOBUNOJ-ZHACJKMWSA-N 1 0 392.499 3.523 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000303397931 914745824 /nfs/dbraw/zinc/74/58/24/914745824.db2.gz IZGZWBJVXOVKQD-QGZVFWFLSA-N 1 0 378.879 3.574 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136537506 903790486 /nfs/dbraw/zinc/79/04/86/903790486.db2.gz CPEIBCWBKVJWMO-LJQANCHMSA-O 1 0 397.564 3.718 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2)c1 ZINC000772982955 903857382 /nfs/dbraw/zinc/85/73/82/903857382.db2.gz GIJAZLDUEZRIDN-APWZRJJASA-N 1 0 381.476 3.883 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000578492434 903901091 /nfs/dbraw/zinc/90/10/91/903901091.db2.gz QSAZCUXVSAEWDR-ZOCIIQOWSA-N 1 0 391.462 3.585 20 30 GHEDRO N#Cc1c(F)cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1F ZINC000578557305 903960498 /nfs/dbraw/zinc/96/04/98/903960498.db2.gz OTNLSRDAEJMYOY-MRXNPFEDSA-N 1 0 387.405 3.504 20 30 GHEDRO O=C(NCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1N=CC=CC1=O ZINC000772985043 903976422 /nfs/dbraw/zinc/97/64/22/903976422.db2.gz QAMSHHJIAGPOBW-XKXPVHLMSA-N 1 0 395.890 3.740 20 30 GHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000578630502 904017909 /nfs/dbraw/zinc/01/79/09/904017909.db2.gz HKMVMZYMQJMLOJ-CSODHUTKSA-N 1 0 393.487 3.533 20 30 GHEDRO CC(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001148312795 904031313 /nfs/dbraw/zinc/03/13/13/904031313.db2.gz BBGDLFLOMUKHTN-HZCBDIJESA-N 1 0 375.472 3.673 20 30 GHEDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000578802103 904132123 /nfs/dbraw/zinc/13/21/23/904132123.db2.gz MBYRCBVRSBNZOS-MBSDFSHPSA-N 1 0 391.515 3.537 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000578801748 904132211 /nfs/dbraw/zinc/13/22/11/904132211.db2.gz UDQFHTAMYHYVJC-ILBGXUMGSA-N 1 0 387.527 3.884 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000578922396 904227442 /nfs/dbraw/zinc/22/74/42/904227442.db2.gz SWBJLZPPLDRWKS-FPOVZHCZSA-N 1 0 382.895 3.575 20 30 GHEDRO N#Cc1csc(CN2CCC[C@H](Nc3cccc(Br)c3)C2)n1 ZINC000579047802 904312629 /nfs/dbraw/zinc/31/26/29/904312629.db2.gz IUXDJCXYTQTAGV-AWEZNQCLSA-N 1 0 377.311 3.854 20 30 GHEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000579126245 904365367 /nfs/dbraw/zinc/36/53/67/904365367.db2.gz KWXXTVGRYFKCLB-YCRPNKLZSA-N 1 0 383.442 3.548 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1ncc(OCC2CC[NH+](C)CC2)cn1 ZINC001171372303 904379049 /nfs/dbraw/zinc/37/90/49/904379049.db2.gz IAHBYYAWVHUJQL-QGZVFWFLSA-N 1 0 382.508 3.935 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000773025252 904385047 /nfs/dbraw/zinc/38/50/47/904385047.db2.gz SSMZOEHJIILXOT-DWLFOUALSA-N 1 0 396.535 3.526 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000509530170 904468968 /nfs/dbraw/zinc/46/89/68/904468968.db2.gz XQNDVXCXUJIMEN-FPOVZHCZSA-N 1 0 391.515 3.922 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000036875810 904542398 /nfs/dbraw/zinc/54/23/98/904542398.db2.gz RHXMJOVHUGOMPA-XMZCSZCVSA-N 1 0 392.499 3.664 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171442799 904679855 /nfs/dbraw/zinc/67/98/55/904679855.db2.gz SUELSJBEXNKAMA-HXUWFJFHSA-N 1 0 392.478 3.841 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171475986 904750035 /nfs/dbraw/zinc/75/00/35/904750035.db2.gz IPAMWOUOZMROQS-PGRDOPGGSA-N 1 0 390.474 3.933 20 30 GHEDRO O[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC[C@H]1F ZINC001171532547 904755356 /nfs/dbraw/zinc/75/53/56/904755356.db2.gz CVUHJRBBMFVGJE-CKUKBARFSA-N 1 0 385.323 3.689 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000579675155 904801661 /nfs/dbraw/zinc/80/16/61/904801661.db2.gz PWHBPZQCLLYNQE-AZFSHXRASA-N 1 0 375.900 3.554 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1OC ZINC000779161286 904953015 /nfs/dbraw/zinc/95/30/15/904953015.db2.gz LZOPKNCSTPTMLC-AEFFLSMTSA-N 1 0 390.524 3.995 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCCN(C(=O)c3ccccc3)CC1)C2 ZINC001171892745 905126704 /nfs/dbraw/zinc/12/67/04/905126704.db2.gz DKMMVRBUFXASAI-WPFOTENUSA-N 1 0 398.547 3.507 20 30 GHEDRO CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)o2)cc1 ZINC000174424924 905268715 /nfs/dbraw/zinc/26/87/15/905268715.db2.gz CCISUCLUVZXIRD-DQRAZIAOSA-N 1 0 393.487 3.860 20 30 GHEDRO CC[N@H+](CCCSCC#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000365751009 921133989 /nfs/dbraw/zinc/13/39/89/921133989.db2.gz ZISJAYXXIAPPNU-UHFFFAOYSA-N 1 0 375.586 3.846 20 30 GHEDRO COc1ccc(F)cc1CN1CCC([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300728 905454877 /nfs/dbraw/zinc/45/48/77/905454877.db2.gz YIKHXCZMNBUOEA-KRWDZBQOSA-N 1 0 381.495 3.891 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])[C@@H](C)Cc3ccc(C#N)cc3)nc3ccc(C)cc3n12 ZINC001172301817 905455201 /nfs/dbraw/zinc/45/52/01/905455201.db2.gz XLIYZAHRHLAUNE-KRWDZBQOSA-N 1 0 398.514 3.767 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001172304733 905458752 /nfs/dbraw/zinc/45/87/52/905458752.db2.gz NUGIWXOWRPKNKP-AWEZNQCLSA-N 1 0 389.425 3.557 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001172307655 905463173 /nfs/dbraw/zinc/46/31/73/905463173.db2.gz PQAXMGMKXHMQKV-SFHVURJKSA-N 1 0 375.472 3.981 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001172307302 905463320 /nfs/dbraw/zinc/46/33/20/905463320.db2.gz FTOAVCHXQFUIHW-SFHVURJKSA-N 1 0 390.487 3.901 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C[C@H]12 ZINC001172307495 905463566 /nfs/dbraw/zinc/46/35/66/905463566.db2.gz HKWCHRSUGSLCLU-NGXZDTIWSA-N 1 0 387.527 3.754 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172310182 905467520 /nfs/dbraw/zinc/46/75/20/905467520.db2.gz BOSDMPXSQFKJIR-FDDCHVKYSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001172290669 905480365 /nfs/dbraw/zinc/48/03/65/905480365.db2.gz RCWBMKNGKPCPSX-UMSONDCASA-N 1 0 383.536 3.972 20 30 GHEDRO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)C[C@H]1C ZINC001172373055 905485867 /nfs/dbraw/zinc/48/58/67/905485867.db2.gz KLCQOOWWBBORGV-URLVKDPJSA-N 1 0 382.552 3.697 20 30 GHEDRO C[C@@H](CCCC#N)n1cncc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001172486788 905559501 /nfs/dbraw/zinc/55/95/01/905559501.db2.gz HGWFKSOBSAWMDB-KKSFZXQISA-N 1 0 375.476 3.800 20 30 GHEDRO C[C@H](CCCC#N)[N@H+]1CCc2nc(C(=O)NCc3ccccc3)sc2CC1 ZINC001172495501 905598856 /nfs/dbraw/zinc/59/88/56/905598856.db2.gz QNFNBTASLGDHFB-MRXNPFEDSA-N 1 0 382.533 3.556 20 30 GHEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001172509469 905604331 /nfs/dbraw/zinc/60/43/31/905604331.db2.gz XCOPRFGYCJBXKR-VQTJNVASSA-N 1 0 382.589 3.902 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H](C)C2CC2)c(OC)c1 ZINC000801588917 921170745 /nfs/dbraw/zinc/17/07/45/921170745.db2.gz WXHXZTYHNRYOOS-AOMKIAJQSA-N 1 0 380.488 3.910 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2sccc2C#N)C1 ZINC000365803931 921176034 /nfs/dbraw/zinc/17/60/34/921176034.db2.gz YGCYJCVRTVRGJT-UBDQQSCGSA-N 1 0 375.538 3.600 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1C ZINC000176936030 905991500 /nfs/dbraw/zinc/99/15/00/905991500.db2.gz YYVUUYNMMFSLND-FQEVSTJZSA-N 1 0 377.492 3.780 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172910796 906018417 /nfs/dbraw/zinc/01/84/17/906018417.db2.gz OGAVGZYKNPCSFP-BAGYTPMASA-N 1 0 386.492 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2cc(CCC[NH3+])c3ccccc32)C[C@H]1C#N ZINC001172969120 906031155 /nfs/dbraw/zinc/03/11/55/906031155.db2.gz SXWNKQDLFNNINW-MSOLQXFVSA-N 1 0 382.508 3.997 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1OC ZINC000628272819 906034686 /nfs/dbraw/zinc/03/46/86/906034686.db2.gz ZIAMDCZNZRFVDU-ZIAGYGMSSA-N 1 0 393.833 3.906 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2)C[C@H]1C#N ZINC001172971928 906034908 /nfs/dbraw/zinc/03/49/08/906034908.db2.gz UMNUOUJCLPASRW-CVEARBPZSA-N 1 0 379.888 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[C@H]1C#N ZINC001172972421 906035255 /nfs/dbraw/zinc/03/52/55/906035255.db2.gz YLKFRVSKRAKWBN-CVSAEHQPSA-N 1 0 375.435 3.989 20 30 GHEDRO COc1c(F)cccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977865 906044209 /nfs/dbraw/zinc/04/42/09/906044209.db2.gz GPXAUERMCXWHOK-ILXRZTDVSA-N 1 0 377.460 3.777 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H](CO)c2cccc3ccccc32)C[C@H]1C#N ZINC001172978007 906044589 /nfs/dbraw/zinc/04/45/89/906044589.db2.gz HNVRILVFQNUDJL-BBTUJRGHSA-N 1 0 395.503 3.754 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)c3ccccc3)CC2)C[C@H]1C#N ZINC001172979204 906046142 /nfs/dbraw/zinc/04/61/42/906046142.db2.gz CINDCYHWELKGCS-PMACEKPBSA-N 1 0 397.519 3.873 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1OC ZINC000628312817 906048858 /nfs/dbraw/zinc/04/88/58/906048858.db2.gz PUSGJGZVQGHZFM-KRWDZBQOSA-N 1 0 392.927 3.890 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2cncc2C[NH2+]Cc2ccccc2)C[C@H]1C#N ZINC001172990905 906101523 /nfs/dbraw/zinc/10/15/23/906101523.db2.gz SEUFIUHAKAYLKL-MOPGFXCFSA-N 1 0 395.507 3.637 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(CCOC3(C)C)CC2)C[C@H]1C#N ZINC001172992801 906103422 /nfs/dbraw/zinc/10/34/22/906103422.db2.gz FQEQVRMLVWDUTB-IRXDYDNUSA-N 1 0 377.529 3.559 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC(=[NH2+])c2ccc3ccccc3n2)c1F ZINC001173183256 906264701 /nfs/dbraw/zinc/26/47/01/906264701.db2.gz LSMZSZUFFUYNRN-GFCCVEGCSA-N 1 0 382.395 3.627 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001173311126 906363922 /nfs/dbraw/zinc/36/39/22/906363922.db2.gz FKJHVDZFGYGVJQ-AHHOAKBJSA-N 1 0 378.557 3.983 20 30 GHEDRO C=CCOC1CCC([NH+]2CCN(c3ccc(C(=O)OC)cc3Cl)CC2)CC1 ZINC001173322903 906372086 /nfs/dbraw/zinc/37/20/86/906372086.db2.gz PGUHPVYEXZHHJE-UHFFFAOYSA-N 1 0 392.927 3.762 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCOCC3)C2)CC1 ZINC001173334967 906377438 /nfs/dbraw/zinc/37/74/38/906377438.db2.gz BIYDRDGDAKDNEA-VZKWCCSDSA-N 1 0 390.568 3.773 20 30 GHEDRO C=CCOC1CCC([NH2+][C@@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001173314177 906387830 /nfs/dbraw/zinc/38/78/30/906387830.db2.gz LGFMVRJRXPQFNT-LAKQMRRBSA-N 1 0 394.556 3.648 20 30 GHEDRO C#CC(CC)(CC)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173377286 906406624 /nfs/dbraw/zinc/40/66/24/906406624.db2.gz CVKWHYRARKDDSM-UHFFFAOYSA-N 1 0 377.326 3.835 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001173384168 906412415 /nfs/dbraw/zinc/41/24/15/906412415.db2.gz ZGXIBDCQDJVFRA-CZIWCDLHSA-N 1 0 390.325 3.726 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1OC ZINC000179051607 906420325 /nfs/dbraw/zinc/42/03/25/906420325.db2.gz QQUBGWNWGLCBMQ-OAQYLSRUSA-N 1 0 394.515 3.788 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1OC ZINC001173422381 906456596 /nfs/dbraw/zinc/45/65/96/906456596.db2.gz NYNKRYXBNKCTOY-MRXNPFEDSA-N 1 0 393.487 3.531 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CC3(Cc4ccccn4)CCC3)CC2)cc1 ZINC001173426969 906462979 /nfs/dbraw/zinc/46/29/79/906462979.db2.gz JJMSDKDJFGVAKE-UHFFFAOYSA-N 1 0 388.515 3.560 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCSC[C@H]3c3ccccc3)CC2)cc1 ZINC001173433208 906468651 /nfs/dbraw/zinc/46/86/51/906468651.db2.gz NPLWPJIWTYQMIC-QFIPXVFZSA-N 1 0 391.540 3.953 20 30 GHEDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434114 906470161 /nfs/dbraw/zinc/47/01/61/906470161.db2.gz DJCXZPCMFIXOOC-UHFFFAOYSA-N 1 0 390.531 3.751 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ncccc1Cl ZINC000629107824 906515452 /nfs/dbraw/zinc/51/54/52/906515452.db2.gz ZJRBRXLMAXBMNQ-UHFFFAOYSA-N 1 0 377.945 3.833 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)CC1 ZINC001173594398 906546940 /nfs/dbraw/zinc/54/69/40/906546940.db2.gz BTKFXGNKDLOPPD-VTOWRESLSA-N 1 0 375.538 3.612 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CC1 ZINC001173595193 906549061 /nfs/dbraw/zinc/54/90/61/906549061.db2.gz UPMVVECFRGOULJ-NFXUCOAQSA-N 1 0 381.520 3.512 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CC1 ZINC001173595534 906549309 /nfs/dbraw/zinc/54/93/09/906549309.db2.gz QMRUBMFNVIIDBA-QUWFBVPJSA-N 1 0 387.549 3.574 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)CC1 ZINC001173596081 906551621 /nfs/dbraw/zinc/55/16/21/906551621.db2.gz IZKSCYSTZBVVSO-LPIJFZEYSA-N 1 0 383.536 3.942 20 30 GHEDRO CC1(C#N)CCC([NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001173599068 906552773 /nfs/dbraw/zinc/55/27/73/906552773.db2.gz YYQUVVRYXMVHET-UHFFFAOYSA-N 1 0 390.325 3.679 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CCCO)c2ccccc2)sc2c1CCCC2 ZINC000179730756 906577943 /nfs/dbraw/zinc/57/79/43/906577943.db2.gz BHGSAEMAUROYGP-LJQANCHMSA-N 1 0 397.544 3.931 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](CC(=O)OCC)C1)[C@H]2CC ZINC001173639127 906590300 /nfs/dbraw/zinc/59/03/00/906590300.db2.gz AXFWIQSLLHURJJ-WEMPKCCASA-N 1 0 376.541 3.530 20 30 GHEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180550936 906790834 /nfs/dbraw/zinc/79/08/34/906790834.db2.gz VUHGGDRNJXIMDG-MRXNPFEDSA-N 1 0 385.895 3.769 20 30 GHEDRO CN(Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)[C@H](C[NH3+])C(F)(F)F ZINC000629545696 906862317 /nfs/dbraw/zinc/86/23/17/906862317.db2.gz ITBNYXUXAMKFSM-GFCCVEGCSA-N 1 0 385.283 3.821 20 30 GHEDRO CCC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(C(F)(F)F)c1 ZINC000180866952 906864551 /nfs/dbraw/zinc/86/45/51/906864551.db2.gz RNAMIWPTKBHEFB-BQASMSSTSA-N 1 0 381.398 3.663 20 30 GHEDRO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181495153 907013492 /nfs/dbraw/zinc/01/34/92/907013492.db2.gz WHSSISHKJOSCAX-QUCCMNQESA-N 1 0 383.536 3.877 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000191547211 907066617 /nfs/dbraw/zinc/06/66/17/907066617.db2.gz KSOONNOPWPVQFM-UHFFFAOYSA-N 1 0 377.326 3.637 20 30 GHEDRO COc1ccccc1O[C@H](C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181831589 907088095 /nfs/dbraw/zinc/08/80/95/907088095.db2.gz YZXSLGUUNCOYAP-GOSISDBHSA-N 1 0 379.504 3.588 20 30 GHEDRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191615150 907111956 /nfs/dbraw/zinc/11/19/56/907111956.db2.gz VUCHHQFYULYOBB-SFHVURJKSA-N 1 0 390.325 3.787 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000192019033 907363377 /nfs/dbraw/zinc/36/33/77/907363377.db2.gz IUZIVVXCEPDAEQ-IEBWSBKVSA-N 1 0 390.270 3.923 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192109907 907422230 /nfs/dbraw/zinc/42/22/30/907422230.db2.gz QRDSCLPSLPWXCP-FXAWDEMLSA-N 1 0 390.842 3.858 20 30 GHEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175349926 907511353 /nfs/dbraw/zinc/51/13/53/907511353.db2.gz GNXOWQHLTNEURV-QGZVFWFLSA-N 1 0 395.286 3.745 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000184349998 907568724 /nfs/dbraw/zinc/56/87/24/907568724.db2.gz KMTFLMMELQAOKO-CQSZACIVSA-N 1 0 399.495 3.564 20 30 GHEDRO CCCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000299448012 921335251 /nfs/dbraw/zinc/33/52/51/921335251.db2.gz YPISEDDGVOBMAS-GOSISDBHSA-N 1 0 380.492 3.946 20 30 GHEDRO N#C[C@H]1CCC[C@@H](Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000185732780 907826457 /nfs/dbraw/zinc/82/64/57/907826457.db2.gz GAKMUPDBSYNLJP-FCHUYYIVSA-N 1 0 389.547 3.941 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000186440806 907926704 /nfs/dbraw/zinc/92/67/04/907926704.db2.gz AGOKRYCTUHCCAS-UHFFFAOYSA-N 1 0 393.491 3.550 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCC1 ZINC001176381949 908059288 /nfs/dbraw/zinc/05/92/88/908059288.db2.gz TZGWEFDCBWRVJN-UHFFFAOYSA-N 1 0 378.451 3.579 20 30 GHEDRO CCN(CC)C(=O)c1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)ccc1F ZINC001176514861 908148977 /nfs/dbraw/zinc/14/89/77/908148977.db2.gz QDIDXCBAUMQUJO-UHFFFAOYSA-N 1 0 386.496 3.972 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177213212 908456884 /nfs/dbraw/zinc/45/68/84/908456884.db2.gz NPLYTTPEMZXBAG-UHFFFAOYSA-N 1 0 388.393 3.823 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001177215942 908468931 /nfs/dbraw/zinc/46/89/31/908468931.db2.gz JGEUNWYTXNEEFK-XPNTWCBSSA-N 1 0 385.552 3.938 20 30 GHEDRO Cc1cc(N2CCN(C(=O)[C@H](C#N)Cc3cccs3)CC2)c2ccccc2[nH+]1 ZINC001177907711 908794442 /nfs/dbraw/zinc/79/44/42/908794442.db2.gz DJIHURLOXSMEPW-KRWDZBQOSA-N 1 0 390.512 3.636 20 30 GHEDRO COc1cc(-c2noc(CCCCC[NH2+][C@H]3CCC[C@H](C#N)C3)n2)ccc1O ZINC000192996287 908839484 /nfs/dbraw/zinc/83/94/84/908839484.db2.gz PRXIWTVUJDWRNQ-RDJZCZTQSA-N 1 0 384.480 3.836 20 30 GHEDRO C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000193127533 908852154 /nfs/dbraw/zinc/85/21/54/908852154.db2.gz FHODUBRKQKJYBA-NRFANRHFSA-N 1 0 391.559 3.663 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC001178473026 909070965 /nfs/dbraw/zinc/07/09/65/909070965.db2.gz LRCRXQHRYYDCGA-GOSISDBHSA-N 1 0 387.321 3.878 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC001178473027 909071595 /nfs/dbraw/zinc/07/15/95/909071595.db2.gz LRCRXQHRYYDCGA-SFHVURJKSA-N 1 0 387.321 3.878 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000780002945 909264333 /nfs/dbraw/zinc/26/43/33/909264333.db2.gz KUPUTMVIZKQYBC-QHCPKHFHSA-N 1 0 388.515 3.834 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001179081366 909378384 /nfs/dbraw/zinc/37/83/84/909378384.db2.gz FYNPOAQFDRBIIQ-UXHICEINSA-N 1 0 398.551 3.962 20 30 GHEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001179285948 909449338 /nfs/dbraw/zinc/44/93/38/909449338.db2.gz UZNHJVOIFFHTPI-INIZCTEOSA-N 1 0 378.538 3.559 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC001179686386 909646508 /nfs/dbraw/zinc/64/65/08/909646508.db2.gz XHTZBZZZAALANE-HNNXBMFYSA-N 1 0 375.432 3.760 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1 ZINC001179834263 909755137 /nfs/dbraw/zinc/75/51/37/909755137.db2.gz JARTUZMLDDHXLD-GGAORHGYSA-N 1 0 377.488 3.809 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)ccc3Cl)C2)C1=O ZINC001276032213 921550909 /nfs/dbraw/zinc/55/09/09/921550909.db2.gz SZENIUIVPPWUFK-QGZVFWFLSA-N 1 0 383.717 3.713 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)c2cn[nH]c2)cc1OCC ZINC000270152053 910461344 /nfs/dbraw/zinc/46/13/44/910461344.db2.gz CXNCRVBYRYFZRJ-GFCCVEGCSA-N 1 0 380.286 3.987 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2F)CC1 ZINC000270274923 910503454 /nfs/dbraw/zinc/50/34/54/910503454.db2.gz HKISQWDWRLMPMX-UHFFFAOYSA-N 1 0 380.467 3.674 20 30 GHEDRO N#Cc1cc(CC(=O)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1F ZINC001181182928 910595536 /nfs/dbraw/zinc/59/55/36/910595536.db2.gz RTRZEBMXGJFTSY-QHCPKHFHSA-N 1 0 395.453 3.646 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000639669932 910602576 /nfs/dbraw/zinc/60/25/76/910602576.db2.gz DLXRQGBWIUHKBT-UHFFFAOYSA-N 1 0 376.504 3.820 20 30 GHEDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000270705297 910669616 /nfs/dbraw/zinc/66/96/16/910669616.db2.gz YXYIOBXRJGMLNH-HXUWFJFHSA-N 1 0 384.476 3.600 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000271600576 910977663 /nfs/dbraw/zinc/97/76/63/910977663.db2.gz ZGXIRMKLDURCIJ-UHFFFAOYSA-N 1 0 392.503 3.891 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2nc3ncccc3cc2C#N)C1 ZINC001182316625 911446921 /nfs/dbraw/zinc/44/69/21/911446921.db2.gz NCPBOHCUEDLUCF-LJQANCHMSA-N 1 0 385.471 3.661 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000092644483 911672533 /nfs/dbraw/zinc/67/25/33/911672533.db2.gz HJGMKRLUVRVUEM-KRWDZBQOSA-N 1 0 397.544 3.610 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(CO)c2)cc1 ZINC000283916638 911692047 /nfs/dbraw/zinc/69/20/47/911692047.db2.gz DRIOJTWLGIDYFQ-UHFFFAOYSA-O 1 0 397.564 3.845 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000774395731 911707970 /nfs/dbraw/zinc/70/79/70/911707970.db2.gz JUGCRDZSXSZJSH-GOEBONIOSA-N 1 0 377.406 3.618 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNc1cc(C)nc2nc(C(F)(F)F)nn21)C(C)C ZINC000642094004 911743432 /nfs/dbraw/zinc/74/34/32/911743432.db2.gz VVCBHRPCBSAVHA-AWEZNQCLSA-N 1 0 382.434 3.562 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480479 911785422 /nfs/dbraw/zinc/78/54/22/911785422.db2.gz CERHDRALIWBSAE-ROUUACIJSA-N 1 0 394.519 3.747 20 30 GHEDRO C#Cc1cc(NC(=O)C[C@@H]2C[N@H+](C(c3ccccc3)c3ccccc3)[C@H]2C)ccn1 ZINC001186933651 914880904 /nfs/dbraw/zinc/88/09/04/914880904.db2.gz DFWWFJHQAFBYJU-SIKLNZKXSA-N 1 0 395.506 3.923 20 30 GHEDRO N#Cc1ccccc1OCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186946581 914912120 /nfs/dbraw/zinc/91/21/20/914912120.db2.gz SMNVSFDSLUHHFC-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000303624041 915000086 /nfs/dbraw/zinc/00/00/86/915000086.db2.gz XLMZAXSZUODFCC-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2cccc(OC)c2)N2CCCCC2)cc1 ZINC000303771100 915120810 /nfs/dbraw/zinc/12/08/10/915120810.db2.gz CKFIKFGHSMHXAE-NRFANRHFSA-N 1 0 382.508 3.658 20 30 GHEDRO COc1ccc(OC)c(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303784486 915127548 /nfs/dbraw/zinc/12/75/48/915127548.db2.gz PDYUPFLGBGQJRE-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCOc2cccc(C(F)(F)F)c2)cc1OC ZINC000303874349 915233579 /nfs/dbraw/zinc/23/35/79/915233579.db2.gz HDMOWOUYPUBSPV-UHFFFAOYSA-N 1 0 383.370 3.528 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3c(Br)cccc3C#N)cc2)CC1 ZINC001187453941 915260563 /nfs/dbraw/zinc/26/05/63/915260563.db2.gz BIQQBCVRFPUVJE-UHFFFAOYSA-N 1 0 385.309 3.685 20 30 GHEDRO CNC(=O)c1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000303885359 915296338 /nfs/dbraw/zinc/29/63/38/915296338.db2.gz JTHSRJIWGCWNBI-NSHDSACASA-N 1 0 379.291 3.519 20 30 GHEDRO CCCCNC(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)cc1 ZINC000303883811 915296494 /nfs/dbraw/zinc/29/64/94/915296494.db2.gz MIDLDRBUIALVIR-UHFFFAOYSA-N 1 0 382.508 3.931 20 30 GHEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)c1ccsc1 ZINC000303906765 915307102 /nfs/dbraw/zinc/30/71/02/915307102.db2.gz WHPPYBACVMVTNI-QGZVFWFLSA-N 1 0 376.526 3.575 20 30 GHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(-c3cccc(C)c3)c2)CC1 ZINC000303968825 915342566 /nfs/dbraw/zinc/34/25/66/915342566.db2.gz BAJYVUJSISSLFF-UHFFFAOYSA-N 1 0 394.519 3.687 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCN(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000303981188 915347872 /nfs/dbraw/zinc/34/78/72/915347872.db2.gz OWJJSWCAQVGZLP-UHFFFAOYSA-N 1 0 376.501 3.600 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC2CCC2)cc1 ZINC000292303600 915610463 /nfs/dbraw/zinc/61/04/63/915610463.db2.gz KOZZMIDBBRNSJR-UHFFFAOYSA-O 1 0 384.481 3.526 20 30 GHEDRO COc1ccc(O[C@@H](C)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000304756067 915672588 /nfs/dbraw/zinc/67/25/88/915672588.db2.gz NJKWAAWAVIZRCL-LBPRGKRZSA-N 1 0 383.370 3.788 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)Oc2ccccc2F)c1 ZINC000304780551 915700233 /nfs/dbraw/zinc/70/02/33/915700233.db2.gz FWTWSCSLUVGTDL-AWEZNQCLSA-N 1 0 375.444 3.817 20 30 GHEDRO CC(C)C[C@H](C)Oc1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)ccn1 ZINC000304764158 915700875 /nfs/dbraw/zinc/70/08/75/915700875.db2.gz XSRUHYZOOCVXAY-QFBILLFUSA-N 1 0 382.508 3.823 20 30 GHEDRO [NH2+]=C(NCCC1CCN(CC(F)(F)F)CC1)Nc1cccc2c1CCCC2 ZINC000304804433 915720729 /nfs/dbraw/zinc/72/07/29/915720729.db2.gz QQZSOCSTIJGWLR-UHFFFAOYSA-N 1 0 382.474 3.956 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)CCCNC(=[NH2+])Nc2cccc(C)c2)cc1 ZINC000304933249 915792603 /nfs/dbraw/zinc/79/26/03/915792603.db2.gz FVUZYUWVHLOGGO-KRWDZBQOSA-N 1 0 382.508 3.778 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000648744937 915853624 /nfs/dbraw/zinc/85/36/24/915853624.db2.gz CHSHFBYDYABBSK-OLZOCXBDSA-N 1 0 391.103 3.653 20 30 GHEDRO CC[N@H+](CCCCC(C)(C)C#N)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000293034802 915965986 /nfs/dbraw/zinc/96/59/86/915965986.db2.gz RTCRZNOJWBDGAX-FQEVSTJZSA-N 1 0 376.541 3.657 20 30 GHEDRO CN(CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)Cc1ccc(F)cc1 ZINC000305264651 916033996 /nfs/dbraw/zinc/03/39/96/916033996.db2.gz YNMAFQLCEWSCAK-UHFFFAOYSA-N 1 0 384.377 3.583 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360680530 916267610 /nfs/dbraw/zinc/26/76/10/916267610.db2.gz LSZUYEHZRHUYRD-SFHVURJKSA-N 1 0 385.471 3.532 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(Cl)ccc3Cl)C2)C1=O ZINC001275727330 916445656 /nfs/dbraw/zinc/44/56/56/916445656.db2.gz JGCKAYPTXWSOHZ-LJQANCHMSA-N 1 0 381.303 3.911 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000649830920 916459791 /nfs/dbraw/zinc/45/97/91/916459791.db2.gz NYPNDUCQKHGLTL-FQEVSTJZSA-N 1 0 395.572 3.762 20 30 GHEDRO Cc1ccccc1[C@@H](O)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000796406571 916596302 /nfs/dbraw/zinc/59/63/02/916596302.db2.gz HRUVFNCHWSUBTK-QHCPKHFHSA-N 1 0 377.488 3.641 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCc1ccccc1Br ZINC001275755832 916927282 /nfs/dbraw/zinc/92/72/82/916927282.db2.gz BWAIULOEDVGMRT-QZTJIDSGSA-N 1 0 377.326 3.633 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccc(OCC#N)cc1 ZINC000775336522 917006617 /nfs/dbraw/zinc/00/66/17/917006617.db2.gz KSLKSTOTBOXIBE-SCLBCKFNSA-N 1 0 375.266 3.736 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)c(F)c3)CC2)C1=O ZINC001275781949 917224169 /nfs/dbraw/zinc/22/41/69/917224169.db2.gz PPXKELFKJTWNDF-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001190339452 917270197 /nfs/dbraw/zinc/27/01/97/917270197.db2.gz GVMOLUSFKFGFFS-QLFBSQMISA-N 1 0 375.538 3.572 20 30 GHEDRO N#Cc1cccc(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1F ZINC001190545131 917401903 /nfs/dbraw/zinc/40/19/03/917401903.db2.gz JLAJVQMRGJYAJX-UXHICEINSA-N 1 0 377.463 3.682 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775400499 917434219 /nfs/dbraw/zinc/43/42/19/917434219.db2.gz KJBJHIHILOAKCN-IBGZPJMESA-N 1 0 390.405 3.555 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000775401263 917464767 /nfs/dbraw/zinc/46/47/67/917464767.db2.gz XYLPZVLOQUXOHS-INIZCTEOSA-N 1 0 375.241 3.881 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)ccc1F ZINC000796466548 917561124 /nfs/dbraw/zinc/56/11/24/917561124.db2.gz RDBYSJVHTFDXLN-LJQANCHMSA-N 1 0 381.451 3.836 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000775419785 917610437 /nfs/dbraw/zinc/61/04/37/917610437.db2.gz BDSJSHYYTDAYKO-LYHRCORUSA-N 1 0 398.466 3.591 20 30 GHEDRO C#CCN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC001191047530 917751933 /nfs/dbraw/zinc/75/19/33/917751933.db2.gz GLVWVBIWPXAUBT-SJLPKXTDSA-N 1 0 377.326 3.692 20 30 GHEDRO C#Cc1ccccc1C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccc(OC)cc1 ZINC001191120204 917766516 /nfs/dbraw/zinc/76/65/16/917766516.db2.gz OTBXXVJISMNGEF-OAQYLSRUSA-N 1 0 376.500 3.803 20 30 GHEDRO Cc1cc(C[NH2+]CCn2cnc(C#N)n2)cc(C)c1OCc1ccccc1Cl ZINC000796498555 917850560 /nfs/dbraw/zinc/85/05/60/917850560.db2.gz WURNADILOJJEJK-UHFFFAOYSA-N 1 0 395.894 3.789 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)[NH+]1CCCCC1 ZINC000296420298 918250773 /nfs/dbraw/zinc/25/07/73/918250773.db2.gz MVBIFUAZZPWTCT-BJLQDIEVSA-N 1 0 384.524 3.604 20 30 GHEDRO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(OCC#N)cc2)C1 ZINC000796569669 918251742 /nfs/dbraw/zinc/25/17/42/918251742.db2.gz GBZHAYSDZJREHQ-UYAOXDASSA-N 1 0 385.508 3.812 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC001191927438 918302670 /nfs/dbraw/zinc/30/26/70/918302670.db2.gz DCFJQELKHIYUIU-UHFFFAOYSA-N 1 0 387.405 3.712 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000653640496 918376482 /nfs/dbraw/zinc/37/64/82/918376482.db2.gz NYISVCKFNQYLDO-WOJBJXKFSA-N 1 0 391.922 3.960 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000364577691 919665897 /nfs/dbraw/zinc/66/58/97/919665897.db2.gz RIRILOPUEPMNCO-NVXWUHKLSA-N 1 0 379.426 3.898 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1OC ZINC000364720605 919902368 /nfs/dbraw/zinc/90/23/68/919902368.db2.gz DOSOLMGIFUHSAC-HXUWFJFHSA-N 1 0 398.547 3.875 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000800407300 920040309 /nfs/dbraw/zinc/04/03/09/920040309.db2.gz AZWFVYZVXUMMJB-UHFFFAOYSA-N 1 0 398.551 3.976 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)cccc3Br)CC2)C1=O ZINC001275945119 920053855 /nfs/dbraw/zinc/05/38/55/920053855.db2.gz FCNFIIXGMJCRJO-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(C)c(Br)c3)C2)C1=O ZINC001275964627 920318718 /nfs/dbraw/zinc/31/87/18/920318718.db2.gz MYIBHFXHHPGOFR-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3ccncc3)C1)CCC2 ZINC000298641465 920752865 /nfs/dbraw/zinc/75/28/65/920752865.db2.gz WRSFIOLTIIIQLQ-MRXNPFEDSA-N 1 0 380.517 3.712 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000801427580 921023174 /nfs/dbraw/zinc/02/31/74/921023174.db2.gz XLEMMSQMVDSFCP-UHFFFAOYSA-N 1 0 399.878 3.849 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(CC#N)cc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000366921574 921818665 /nfs/dbraw/zinc/81/86/65/921818665.db2.gz JMCBZFCLXCMTNK-QFIPXVFZSA-N 1 0 399.498 3.957 20 30 GHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000367731762 922286018 /nfs/dbraw/zinc/28/60/18/922286018.db2.gz YAEGLZILTAHIQJ-GOSISDBHSA-N 1 0 380.467 3.532 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC000802652677 922307749 /nfs/dbraw/zinc/30/77/49/922307749.db2.gz QIKANIFJBXAAOZ-LPHOPBHVSA-N 1 0 388.943 3.971 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C#N)c1 ZINC000902758978 922472958 /nfs/dbraw/zinc/47/29/58/922472958.db2.gz MKCUKCCOCWKJAZ-IFMALSPDSA-N 1 0 376.504 3.501 20 30 GHEDRO COc1ccc(CN[C@H](c2cnn(C)c2)c2ccccc2)cc1OCCCC#N ZINC000368244364 922549609 /nfs/dbraw/zinc/54/96/09/922549609.db2.gz NQGUKBSFTWTPML-QHCPKHFHSA-N 1 0 390.487 3.990 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000368330613 922602669 /nfs/dbraw/zinc/60/26/69/922602669.db2.gz XDCNALGIKZVLFB-IRXDYDNUSA-N 1 0 387.549 3.910 20 30 GHEDRO C#CCCN(CC(F)(F)F)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000803113670 922708204 /nfs/dbraw/zinc/70/82/04/922708204.db2.gz RKTCVEAIGKLLQQ-INIZCTEOSA-N 1 0 388.380 3.558 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H](NCC1(C#N)CC1)c1ccccc1O2 ZINC000903106075 922777147 /nfs/dbraw/zinc/77/71/47/922777147.db2.gz MINTVXOBCXYVBY-VGOFRKELSA-N 1 0 383.492 3.783 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](OCC2CC2)C1 ZINC000368787459 922873734 /nfs/dbraw/zinc/87/37/34/922873734.db2.gz WDGXYYRFXBNAJA-AEFFLSMTSA-N 1 0 387.549 3.768 20 30 GHEDRO N#Cc1cccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1F ZINC000803906083 923363215 /nfs/dbraw/zinc/36/32/15/923363215.db2.gz AVTBDOYYMMJXPH-SFHVURJKSA-N 1 0 388.389 3.898 20 30 GHEDRO CCN(C(=O)c1ccc(C=NOC)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000748714438 923795843 /nfs/dbraw/zinc/79/58/43/923795843.db2.gz GQFGJQPBZOAUMM-AVRDEDQJSA-N 1 0 379.504 3.965 20 30 GHEDRO C[N@H+](CCNC(=S)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(F)cc1 ZINC000749006122 923972327 /nfs/dbraw/zinc/97/23/27/923972327.db2.gz OXVLDUUNGPMOJQ-UHFFFAOYSA-N 1 0 376.888 3.769 20 30 GHEDRO Cn1cc([C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2)cn1 ZINC000371809159 924875698 /nfs/dbraw/zinc/87/56/98/924875698.db2.gz NLVSHOVFTFEVEO-XMMPIXPASA-N 1 0 385.515 3.635 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000678798689 924927811 /nfs/dbraw/zinc/92/78/11/924927811.db2.gz JQDDGCMPVVXUCF-RTBURBONSA-N 1 0 396.453 3.940 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000409860818 925074976 /nfs/dbraw/zinc/07/49/76/925074976.db2.gz ROXIODTVPFLZRG-XJKSGUPXSA-N 1 0 381.314 3.675 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679341002 925101206 /nfs/dbraw/zinc/10/12/06/925101206.db2.gz IRMYGJOUQBZVLV-OALUTQOASA-N 1 0 379.342 3.909 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3F)CC2)C1=O ZINC001276065195 925101584 /nfs/dbraw/zinc/10/15/84/925101584.db2.gz DLBSPXCTDBRWFK-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO C=CCOCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000679503994 925162598 /nfs/dbraw/zinc/16/25/98/925162598.db2.gz NNOSZOOMAOMPCE-SJLPKXTDSA-N 1 0 399.457 3.590 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372213677 925251773 /nfs/dbraw/zinc/25/17/73/925251773.db2.gz XQGATSIKCISLGJ-FUHWJXTLSA-N 1 0 387.549 3.625 20 30 GHEDRO C=CCN1CC[C@@H]([NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000410411857 925627522 /nfs/dbraw/zinc/62/75/22/925627522.db2.gz VMIARCPOWJRXNP-GOSISDBHSA-N 1 0 383.319 3.761 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000680971527 925673196 /nfs/dbraw/zinc/67/31/96/925673196.db2.gz KXLQFHAQNWUDFS-IBGZPJMESA-N 1 0 380.488 3.607 20 30 GHEDRO C#CCN1c2ccccc2C2(CC[NH+](Cc3ccc(SC)s3)CC2)C1=O ZINC001276145341 925999992 /nfs/dbraw/zinc/99/99/92/925999992.db2.gz BSRFFXKHZIZPEI-UHFFFAOYSA-N 1 0 382.554 3.984 20 30 GHEDRO C=CCN1CCN(Cc2c(Br)cc(F)cc2Br)CC1 ZINC001137489084 926043328 /nfs/dbraw/zinc/04/33/28/926043328.db2.gz SBKHFQVEGGWWKH-UHFFFAOYSA-N 1 0 392.110 3.654 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@]2(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000827911873 926257687 /nfs/dbraw/zinc/25/76/87/926257687.db2.gz PCNZMNDENRSIDK-HXUWFJFHSA-N 1 0 378.438 3.888 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(C)sc1Br)C(C)C ZINC000411370413 926338692 /nfs/dbraw/zinc/33/86/92/926338692.db2.gz TZDBTPDBWUTRJV-CYBMUJFWSA-N 1 0 386.359 3.642 20 30 GHEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000411381558 926346165 /nfs/dbraw/zinc/34/61/65/926346165.db2.gz BCILTPSFRCWXQE-JLTOFOAXSA-N 1 0 399.878 3.680 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1Oc2ccccc2[C@H]1C ZINC000411529694 926493595 /nfs/dbraw/zinc/49/35/95/926493595.db2.gz HFLZSISNUUPZNL-HKZYLEAXSA-N 1 0 395.528 3.980 20 30 GHEDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000726586066 926744432 /nfs/dbraw/zinc/74/44/32/926744432.db2.gz GEWPVIPNAZUDNC-GOSISDBHSA-N 1 0 390.487 3.581 20 30 GHEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000374215358 926904895 /nfs/dbraw/zinc/90/48/95/926904895.db2.gz DOQZDRVQPPIZSX-PZJWPPBQSA-N 1 0 375.520 3.942 20 30 GHEDRO CC[C@@H](C)NC(=S)C(=C(O)C1=CCC(=NC(=O)C(C)C)C=C1)[n+]1ccccc1 ZINC000749892595 927334108 /nfs/dbraw/zinc/33/41/08/927334108.db2.gz XSMZOSLJTJDHRW-MRXNPFEDSA-O 1 0 398.552 3.980 20 30 GHEDRO CCN1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374841595 927589962 /nfs/dbraw/zinc/58/99/62/927589962.db2.gz DVKINJSQZWDELG-QUCCMNQESA-N 1 0 395.469 3.929 20 30 GHEDRO Cc1cccc2[nH]cc(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c21 ZINC000374905279 927680394 /nfs/dbraw/zinc/68/03/94/927680394.db2.gz XCPWOAWNSDWSON-UHFFFAOYSA-N 1 0 386.499 3.693 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000750597126 927740600 /nfs/dbraw/zinc/74/06/00/927740600.db2.gz DKGOVIIAWXLUEX-XMSQKQJNSA-N 1 0 377.488 3.731 20 30 GHEDRO Cc1ccc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)nc1C#N ZINC000413317693 928431805 /nfs/dbraw/zinc/43/18/05/928431805.db2.gz BQTQPTOTONCKFA-UHFFFAOYSA-N 1 0 395.938 3.706 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000752054877 928573289 /nfs/dbraw/zinc/57/32/89/928573289.db2.gz XWFPACPAHBWMKA-HXUWFJFHSA-N 1 0 399.535 3.605 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467085009 928679577 /nfs/dbraw/zinc/67/95/77/928679577.db2.gz LXMWAUDQGYEVTN-UHFFFAOYSA-N 1 0 378.520 3.784 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNCc2c(Cl)nc(Cl)n2C)ccc1OC ZINC000752262417 928718360 /nfs/dbraw/zinc/71/83/60/928718360.db2.gz OOHIPLVJDORBJX-LBPRGKRZSA-N 1 0 383.279 3.706 20 30 GHEDRO C#CCn1cnc(-c2ccccc2)c1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000752295348 928737286 /nfs/dbraw/zinc/73/72/86/928737286.db2.gz FFLXUKXCSNVMLS-UHFFFAOYSA-N 1 0 399.498 3.742 20 30 GHEDRO C#CCNC(=O)[C@H]1CC12CC[NH+](CCCc1ccc(Cl)c(Cl)c1)CC2 ZINC001276275987 929176442 /nfs/dbraw/zinc/17/64/42/929176442.db2.gz INQZICNLPQFEIX-MRXNPFEDSA-N 1 0 379.331 3.778 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000467759002 929379829 /nfs/dbraw/zinc/37/98/29/929379829.db2.gz LFYAGBGHFYNULS-CTNGQTDRSA-N 1 0 386.584 3.895 20 30 GHEDRO CCOc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000469147659 929631767 /nfs/dbraw/zinc/63/17/67/929631767.db2.gz ZXBOGEXBOJZVQJ-SFHVURJKSA-N 1 0 383.536 3.681 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469251957 929736314 /nfs/dbraw/zinc/73/63/14/929736314.db2.gz NIMQOWXSVPAJOV-MRXNPFEDSA-N 1 0 380.492 3.844 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000757797718 929804190 /nfs/dbraw/zinc/80/41/90/929804190.db2.gz ZOHDRHOBSHUXEP-YWZLYKJASA-N 1 0 376.460 3.955 20 30 GHEDRO CS[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H]1[NH+](C)C ZINC000546127302 929880681 /nfs/dbraw/zinc/88/06/81/929880681.db2.gz BSDGCHIBXCWVMZ-UXHICEINSA-N 1 0 396.516 3.860 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000469460478 929914018 /nfs/dbraw/zinc/91/40/18/929914018.db2.gz HMNLYDNVGOWVAU-LJQANCHMSA-N 1 0 386.442 3.531 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1 ZINC000758579213 930090069 /nfs/dbraw/zinc/09/00/69/930090069.db2.gz FGHSRBUKYWXJJK-NLSFWIRASA-N 1 0 382.479 3.980 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(CCC)cc1 ZINC000759049669 930257140 /nfs/dbraw/zinc/25/71/40/930257140.db2.gz IVHZHBHWYLFLQN-UHFFFAOYSA-O 1 0 377.533 3.849 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000546577234 930274131 /nfs/dbraw/zinc/27/41/31/930274131.db2.gz DQHSIFMNVZMPSK-UHFFFAOYSA-N 1 0 375.472 3.519 20 30 GHEDRO CC[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000759270644 930325648 /nfs/dbraw/zinc/32/56/48/930325648.db2.gz CNZMKSGBUXENTD-HXUWFJFHSA-N 1 0 380.467 3.503 20 30 GHEDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000470206423 930452056 /nfs/dbraw/zinc/45/20/56/930452056.db2.gz KEDGBRDWVIHWEK-HRAATJIYSA-N 1 0 391.943 3.754 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCc2ccc(C#N)cn2)c1 ZINC000780539066 930543704 /nfs/dbraw/zinc/54/37/04/930543704.db2.gz KWCXJMDISUOLNN-UHFFFAOYSA-N 1 0 379.508 3.575 20 30 GHEDRO COC(=O)c1ccc(N=NC2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000781128900 930709472 /nfs/dbraw/zinc/70/94/72/930709472.db2.gz XBFWHJLRLLLTEZ-RTBURBONSA-N 1 0 378.476 3.568 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000547418255 930998129 /nfs/dbraw/zinc/99/81/29/930998129.db2.gz PLHIXBJFQJQQJJ-BEFAXECRSA-N 1 0 384.505 3.833 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470920020 931031691 /nfs/dbraw/zinc/03/16/91/931031691.db2.gz RSXBBCKCRDFPAW-IBGZPJMESA-N 1 0 384.451 3.766 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000471016508 931097850 /nfs/dbraw/zinc/09/78/50/931097850.db2.gz AYOMTBVNOGPNKA-MSOLQXFVSA-N 1 0 388.581 3.541 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782230983 931129864 /nfs/dbraw/zinc/12/98/64/931129864.db2.gz JKAAXUAMQGDVGO-GAJHUEQPSA-N 1 0 389.499 3.656 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000471076325 931137015 /nfs/dbraw/zinc/13/70/15/931137015.db2.gz URWJJEJLENMRFA-QHCPKHFHSA-N 1 0 380.488 3.883 20 30 GHEDRO Cc1ccccc1[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000782764645 931329534 /nfs/dbraw/zinc/32/95/34/931329534.db2.gz IHIITNVBMYCKNE-MIPONYNBSA-N 1 0 381.520 3.978 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000557326508 931346065 /nfs/dbraw/zinc/34/60/65/931346065.db2.gz AXRWSGOUMBEZOA-UHFFFAOYSA-N 1 0 390.531 3.726 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](C)N(Cc3ccccc3)c3ccccc32)CC1 ZINC000782945078 931371899 /nfs/dbraw/zinc/37/18/99/931371899.db2.gz KLUODMOGRHXRPQ-FQEVSTJZSA-N 1 0 387.527 3.774 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CCN(C2CC2)CC1 ZINC000924591129 931434695 /nfs/dbraw/zinc/43/46/95/931434695.db2.gz GAEMLIFWTCYXDZ-QGZVFWFLSA-N 1 0 390.572 3.522 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)cc2)C1 ZINC000557491817 931468831 /nfs/dbraw/zinc/46/88/31/931468831.db2.gz IYNPZLKMTCTPTB-OAHLLOKOSA-N 1 0 379.464 3.893 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(OCC#N)cc1 ZINC000783332565 931521783 /nfs/dbraw/zinc/52/17/83/931521783.db2.gz XVVDCFJIYXGLGL-YQHFOJDRSA-N 1 0 376.460 3.896 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000783517625 931570101 /nfs/dbraw/zinc/57/01/01/931570101.db2.gz HHVQUTPCCQNYQD-CQSZACIVSA-N 1 0 394.450 3.553 20 30 GHEDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925223264 931707995 /nfs/dbraw/zinc/70/79/95/931707995.db2.gz BNPNHBXJBHLTGJ-MSOLQXFVSA-N 1 0 386.540 3.922 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000558014002 931801426 /nfs/dbraw/zinc/80/14/26/931801426.db2.gz QXBZWLIONDABKB-FPOVZHCZSA-N 1 0 379.589 3.901 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000558189222 931878894 /nfs/dbraw/zinc/87/88/94/931878894.db2.gz XMLGVEWKBUVLEB-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000558300102 931930905 /nfs/dbraw/zinc/93/09/05/931930905.db2.gz DVRBDDIXXIZHDM-UHFFFAOYSA-N 1 0 391.515 3.775 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000784546473 931931642 /nfs/dbraw/zinc/93/16/42/931931642.db2.gz WVDPLCXXGWJVPW-UHFFFAOYSA-N 1 0 384.277 3.707 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000558457149 932011911 /nfs/dbraw/zinc/01/19/11/932011911.db2.gz TVPZEGUQXVKWRT-SFHVURJKSA-N 1 0 376.508 3.560 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000558515208 932048111 /nfs/dbraw/zinc/04/81/11/932048111.db2.gz TYRUXIAFKSJEGK-MAKTXDPSSA-N 1 0 396.535 3.516 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)cc1C#N ZINC000796837007 932085209 /nfs/dbraw/zinc/08/52/09/932085209.db2.gz MAFXZIHTGNIQCX-CQSZACIVSA-N 1 0 382.464 3.582 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000797008471 932142763 /nfs/dbraw/zinc/14/27/63/932142763.db2.gz VJYANUDXHIPHEY-FFZOFVMBSA-N 1 0 390.524 3.659 20 30 GHEDRO N#Cc1ccc(F)c(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000797098287 932182128 /nfs/dbraw/zinc/18/21/28/932182128.db2.gz DXMWVGPYEQPUKL-GOSISDBHSA-N 1 0 388.389 3.898 20 30 GHEDRO CCc1nnc(CN[C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000926461792 932193488 /nfs/dbraw/zinc/19/34/88/932193488.db2.gz QSEDXTBOBUWDJW-AWEZNQCLSA-N 1 0 393.557 3.510 20 30 GHEDRO C=C1CCC(CNC(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)CC1 ZINC000926541430 932221940 /nfs/dbraw/zinc/22/19/40/932221940.db2.gz RVPNUBGJNRCYMZ-SFHVURJKSA-N 1 0 376.570 3.661 20 30 GHEDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000926604156 932243794 /nfs/dbraw/zinc/24/37/94/932243794.db2.gz LVLPAEFCAPMRSS-OKZBNKHCSA-N 1 0 379.545 3.853 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000797415990 932276086 /nfs/dbraw/zinc/27/60/86/932276086.db2.gz ILEMHSKFEHGEME-HYFFOGBASA-N 1 0 375.509 3.678 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1ccns1 ZINC000926835890 932322651 /nfs/dbraw/zinc/32/26/51/932322651.db2.gz FPDMHYDPPLDBQE-HNNXBMFYSA-N 1 0 378.542 3.595 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000558987692 932356737 /nfs/dbraw/zinc/35/67/37/932356737.db2.gz HXIDDGKRJIKQSD-UHFFFAOYSA-N 1 0 392.551 3.949 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNC(=S)NCCc2ccccn2)CC1 ZINC000797787055 932407734 /nfs/dbraw/zinc/40/77/34/932407734.db2.gz YVBGFRWUCVJPFR-UHFFFAOYSA-N 1 0 395.576 3.519 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)ccc1C#N ZINC000559321240 932597609 /nfs/dbraw/zinc/59/76/09/932597609.db2.gz DCCOJLVQKCHZMR-FOIQADDNSA-N 1 0 381.451 3.548 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000559359094 932625580 /nfs/dbraw/zinc/62/55/80/932625580.db2.gz OWLPDCXRUYDYMB-UHFFFAOYSA-N 1 0 379.909 3.858 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000798420098 932640145 /nfs/dbraw/zinc/64/01/45/932640145.db2.gz INOLWNMCRZUQAV-UHFFFAOYSA-N 1 0 382.533 3.914 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C(C)C ZINC000798553098 932701968 /nfs/dbraw/zinc/70/19/68/932701968.db2.gz RDJCLYLSXJRLTP-SFHVURJKSA-N 1 0 381.442 3.581 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C(C)C ZINC000798553097 932702110 /nfs/dbraw/zinc/70/21/10/932702110.db2.gz RDJCLYLSXJRLTP-GOSISDBHSA-N 1 0 381.442 3.581 20 30 GHEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000799157822 932891838 /nfs/dbraw/zinc/89/18/38/932891838.db2.gz WOJRIYYBDXSXGJ-KRWDZBQOSA-N 1 0 389.515 3.538 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(C)c(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000799296923 932942079 /nfs/dbraw/zinc/94/20/79/932942079.db2.gz KMJFISCORYXNNR-QFIPXVFZSA-N 1 0 377.488 3.832 20 30 GHEDRO Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1C#N ZINC000799310660 932947196 /nfs/dbraw/zinc/94/71/96/932947196.db2.gz FSDCURXDBLYKBP-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO CC(C)(C)c1ccc(CCNC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000560169087 933105860 /nfs/dbraw/zinc/10/58/60/933105860.db2.gz XZSOPPAYQFSCGX-UHFFFAOYSA-N 1 0 375.516 3.793 20 30 GHEDRO N#Cc1cc(NC2CC[NH+](Cc3ccncc3)CC2)ccc1OC(F)(F)F ZINC000799738640 933106461 /nfs/dbraw/zinc/10/64/61/933106461.db2.gz HTKZSGLKZSJQFN-UHFFFAOYSA-N 1 0 376.382 3.928 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC001116035446 933296523 /nfs/dbraw/zinc/29/65/23/933296523.db2.gz COINWUCGOYZBLI-FQEVSTJZSA-N 1 0 375.472 3.855 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000929944059 933721855 /nfs/dbraw/zinc/72/18/55/933721855.db2.gz ZLFQLFJCWQZVRP-UTKZUKDTSA-N 1 0 376.460 3.827 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000930170630 933875322 /nfs/dbraw/zinc/87/53/22/933875322.db2.gz FCYHXJZRYHULDW-UGKGYDQZSA-N 1 0 390.487 3.614 20 30 GHEDRO CCCN(CC[NH+](C)C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561175961 933935102 /nfs/dbraw/zinc/93/51/02/933935102.db2.gz OUQSEEKFEUQGGK-UHFFFAOYSA-N 1 0 390.959 3.618 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNc2nc3cc(Cl)ccn3c2C#N)cc1 ZINC000561194437 933947252 /nfs/dbraw/zinc/94/72/52/933947252.db2.gz PCXJTMOJOXIFBQ-UHFFFAOYSA-N 1 0 383.883 3.802 20 30 GHEDRO N#CC1CCC(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000930971094 934319583 /nfs/dbraw/zinc/31/95/83/934319583.db2.gz LLDDESMQFXZJHD-ZGUYJTEBSA-N 1 0 385.474 3.972 20 30 GHEDRO C=CCC1([NH2+]C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CCCC1 ZINC000931021485 934340134 /nfs/dbraw/zinc/34/01/34/934340134.db2.gz KJSBPDIWWVJKFR-SFHVURJKSA-N 1 0 396.453 3.646 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@H]1c1ccc(F)cc1 ZINC001119599239 934371977 /nfs/dbraw/zinc/37/19/77/934371977.db2.gz BFHZGVKXFWODAG-RTBURBONSA-N 1 0 388.284 3.995 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC001120366311 934459289 /nfs/dbraw/zinc/45/92/89/934459289.db2.gz SIBWMFLYGAZGBF-IJEWVQPXSA-N 1 0 380.414 3.771 20 30 GHEDRO COc1cc(C#N)ccc1OCCN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000561961446 934587668 /nfs/dbraw/zinc/58/76/68/934587668.db2.gz GXCPMZVGAVKSEE-CQSZACIVSA-N 1 0 396.422 3.794 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121502715 934677053 /nfs/dbraw/zinc/67/70/53/934677053.db2.gz UQLLIOGOXDFXGR-QUCCMNQESA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001121564374 934699578 /nfs/dbraw/zinc/69/95/78/934699578.db2.gz ZEVNIPHDWXQYIG-UHFFFAOYSA-N 1 0 389.613 3.920 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121637545 934721729 /nfs/dbraw/zinc/72/17/29/934721729.db2.gz VSSZLWZZRPSODE-UHFFFAOYSA-N 1 0 396.539 3.760 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@@H](C)OC(C)(C)C ZINC001121682600 934737529 /nfs/dbraw/zinc/73/75/29/934737529.db2.gz STEGGNHUFJELGN-OAHLLOKOSA-N 1 0 387.532 3.547 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@@H](C)CCC ZINC001122374338 934858560 /nfs/dbraw/zinc/85/85/60/934858560.db2.gz MSWRUSOPZCKHRL-PKOBYXMFSA-N 1 0 375.561 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC(C)=NN=C2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001122536869 934892714 /nfs/dbraw/zinc/89/27/14/934892714.db2.gz CUCOCFYKYHQURO-HXUWFJFHSA-N 1 0 397.571 3.633 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C)on2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122626038 934925085 /nfs/dbraw/zinc/92/50/85/934925085.db2.gz OFQLZDWLFQQXJT-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO N#CCCCn1cc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC001124041313 935334190 /nfs/dbraw/zinc/33/41/90/935334190.db2.gz UHRYEKKYOXHDME-UHFFFAOYSA-N 1 0 387.487 3.739 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc4ncccc34)CC2)cc1 ZINC001137631801 935646907 /nfs/dbraw/zinc/64/69/07/935646907.db2.gz CKKDNMVPGNHCMV-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)c(C#N)c1 ZINC001137702515 935733135 /nfs/dbraw/zinc/73/31/35/935733135.db2.gz PSYPJQGHWYQKNE-OAQYLSRUSA-N 1 0 381.501 3.647 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000829789195 935862128 /nfs/dbraw/zinc/86/21/28/935862128.db2.gz PQRFQCIRHCNPHV-SFHVURJKSA-N 1 0 375.472 3.613 20 30 GHEDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C[N@@H+]2C1 ZINC001625927720 1014423601 /nfs/dbraw/zinc/42/36/01/1014423601.db2.gz IALJVKYAZDAQNE-SUMDDJOVSA-N 1 0 376.460 3.804 20 30 GHEDRO C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830859755 979023029 /nfs/dbraw/zinc/02/30/29/979023029.db2.gz JTJITZXBZBIHOZ-JOCHJYFZSA-N 1 0 389.455 3.699 20 30 GHEDRO Cc1cc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc(C)c1C#N ZINC001626073963 1014855521 /nfs/dbraw/zinc/85/55/21/1014855521.db2.gz XYECIHXLZQYHAZ-UHFFFAOYSA-N 1 0 390.531 3.507 20 30 GHEDRO C[NH+]1CCC(CCCNC(=S)Nc2ccc(C#N)cc2Br)CC1 ZINC001201135368 1014988201 /nfs/dbraw/zinc/98/82/01/1014988201.db2.gz GNRQLKUGBKNDBY-UHFFFAOYSA-N 1 0 395.370 3.729 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000545294417 1015749922 /nfs/dbraw/zinc/74/99/22/1015749922.db2.gz IKIAUBOOWOJFCC-INIZCTEOSA-N 1 0 378.476 3.914 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C(C)C ZINC000468507956 1015763443 /nfs/dbraw/zinc/76/34/43/1015763443.db2.gz QEVYABNDTWZFNX-FQEVSTJZSA-N 1 0 378.476 3.642 20 30 GHEDRO N#Cc1ccc2nc(NC(=O)[C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)ncc2c1 ZINC000545549970 1016023333 /nfs/dbraw/zinc/02/33/33/1016023333.db2.gz SJWZTMQVOUFBIZ-HYBUGGRVSA-N 1 0 397.482 3.742 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc(OCC)cc2)CC1 ZINC001220837862 1032146493 /nfs/dbraw/zinc/14/64/93/1032146493.db2.gz SIBHQVHTNSJIMZ-QHCPKHFHSA-N 1 0 391.515 3.572 20 30 GHEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469054790 1016382149 /nfs/dbraw/zinc/38/21/49/1016382149.db2.gz REOLFYCNPOYGIA-UHFFFAOYSA-N 1 0 380.492 3.797 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(N(CC[NH3+])c2cccc3ccccc32)n1 ZINC001154680217 1032233550 /nfs/dbraw/zinc/23/35/50/1032233550.db2.gz WWJWSLOBECDQJI-SRZZPIQSSA-N 1 0 387.896 3.910 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221049317 1032256518 /nfs/dbraw/zinc/25/65/18/1032256518.db2.gz SFABFQHKRMQRMU-FQEVSTJZSA-N 1 0 376.435 3.649 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCc2ccc(C(F)(F)F)cc21 ZINC001221089059 1032280375 /nfs/dbraw/zinc/28/03/75/1032280375.db2.gz GCZIUWQMTRONMH-HSALFYBXSA-N 1 0 399.416 3.684 20 30 GHEDRO O=C(C#Cc1ccc(F)cc1F)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221201796 1032328524 /nfs/dbraw/zinc/32/85/24/1032328524.db2.gz LTJLHUGNNWSLCU-NRFANRHFSA-N 1 0 386.417 3.703 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001221361151 1032386152 /nfs/dbraw/zinc/38/61/52/1032386152.db2.gz REAGJDFSZUZIHL-LEWJYISDSA-N 1 0 394.515 3.945 20 30 GHEDRO C#C[C@H](C)Oc1c(Cl)cc(Cl)c(OC)c1C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001227355373 1032386573 /nfs/dbraw/zinc/38/65/73/1032386573.db2.gz JXOIEVBUQVTMGX-STQMWFEESA-N 1 0 399.318 3.617 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC001221389372 1032392167 /nfs/dbraw/zinc/39/21/67/1032392167.db2.gz KSJZAUZCTGHNNG-GOSISDBHSA-N 1 0 375.925 3.745 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]([NH3+])Cc3ccccc32)cc1 ZINC001155307324 1032495013 /nfs/dbraw/zinc/49/50/13/1032495013.db2.gz SQDOLROCWQKTAF-HNNXBMFYSA-N 1 0 377.835 3.815 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](CCC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001155351111 1032513837 /nfs/dbraw/zinc/51/38/37/1032513837.db2.gz LVOYBORFTIDFIZ-SFHVURJKSA-N 1 0 386.536 3.822 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC001221805358 1032541131 /nfs/dbraw/zinc/54/11/31/1032541131.db2.gz SOCIGFDFHJAXGP-NRFANRHFSA-N 1 0 382.483 3.970 20 30 GHEDRO N#Cc1cnc(N[C@H]2COCCC23C[NH2+]C3)c2cc(-c3ccccc3)sc21 ZINC001155470395 1032554290 /nfs/dbraw/zinc/55/42/90/1032554290.db2.gz TXAGUBJQPVGQEL-SFHVURJKSA-N 1 0 376.485 3.625 20 30 GHEDRO N#Cc1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c2cc(-c3ccccc3)sc21 ZINC001155525596 1032570290 /nfs/dbraw/zinc/57/02/90/1032570290.db2.gz AJRHDIUYZRHTBS-ZHALLVOQSA-N 1 0 390.512 3.871 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000925318631 1017070122 /nfs/dbraw/zinc/07/01/22/1017070122.db2.gz GJHKVCJLYNLJKM-OXQOHEQNSA-N 1 0 378.476 3.546 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2cc(C)nn2C)ccc1OC ZINC000925398410 1017078560 /nfs/dbraw/zinc/07/85/60/1017078560.db2.gz XFACWAPAMPDLHL-TYPHKJRUSA-N 1 0 396.535 3.919 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1OC ZINC000925398100 1017078932 /nfs/dbraw/zinc/07/89/32/1017078932.db2.gz UGKWJTNACHWPND-AQNXPRMDSA-N 1 0 382.508 3.611 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000558450926 1017205817 /nfs/dbraw/zinc/20/58/17/1017205817.db2.gz YIMBYANNVREYRR-ZACQAIPSSA-N 1 0 387.503 3.662 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(OC)cccc3OC)CC2)C1 ZINC001204247164 1032688479 /nfs/dbraw/zinc/68/84/79/1032688479.db2.gz GMANOVGKFLGZOT-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000558786473 1017287100 /nfs/dbraw/zinc/28/71/00/1017287100.db2.gz NKWKIEOWXDDRJV-SFHVURJKSA-N 1 0 397.954 3.675 20 30 GHEDRO N#C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccc(OCc2ccccc2)cc1 ZINC000559560678 1017469251 /nfs/dbraw/zinc/46/92/51/1017469251.db2.gz CWJFWNDJXSCXLS-JOCHJYFZSA-N 1 0 382.423 3.908 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)cc1OC ZINC000560515877 1017649471 /nfs/dbraw/zinc/64/94/71/1017649471.db2.gz MQUFYQWRIKCGLC-IYARVYRRSA-N 1 0 381.476 3.808 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc2c(c1)COC2 ZINC000777906793 1017832827 /nfs/dbraw/zinc/83/28/27/1017832827.db2.gz NTXKRWRZKYHVMY-UHFFFAOYSA-N 1 0 384.549 3.815 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N(C)CCC[N@H+](C)Cc3ccco3)c2c1 ZINC000561408927 1017851946 /nfs/dbraw/zinc/85/19/46/1017851946.db2.gz VLNSJCBTBUNNGB-UHFFFAOYSA-N 1 0 394.475 3.675 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1 ZINC000561958190 1017992130 /nfs/dbraw/zinc/99/21/30/1017992130.db2.gz TXNAVKSALGTNMB-UHFFFAOYSA-N 1 0 390.462 3.674 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC001204302083 1032745292 /nfs/dbraw/zinc/74/52/92/1032745292.db2.gz AUDSRGZMXRSZAN-UHFFFAOYSA-N 1 0 382.426 3.628 20 30 GHEDRO COc1cc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)ccc1C#N ZINC000562463117 1018178457 /nfs/dbraw/zinc/17/84/57/1018178457.db2.gz UGBJTNWZXHVIGM-UHFFFAOYSA-N 1 0 375.472 3.624 20 30 GHEDRO N#CC(CCN1CCOC[C@H]1[C@@H]1CCCC1=O)(c1ccccc1)c1ccccc1 ZINC000562471271 1018187235 /nfs/dbraw/zinc/18/72/35/1018187235.db2.gz OXRKZKZNDGITPD-GOTSBHOMSA-N 1 0 388.511 3.956 20 30 GHEDRO FC1(F)[C@H]2CN(CC[NH+]3CCCCC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932947942 1018779342 /nfs/dbraw/zinc/77/93/42/1018779342.db2.gz IKIKDDSNQZWECR-QWRGUYRKSA-N 1 0 380.323 3.575 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CCC(Nc4ccccn4)CC3)cc21 ZINC000933086979 1018842323 /nfs/dbraw/zinc/84/23/23/1018842323.db2.gz VCGDXWVKVHBRPA-UHFFFAOYSA-N 1 0 376.464 3.726 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000564385013 1019064679 /nfs/dbraw/zinc/06/46/79/1019064679.db2.gz GMSKBXDRDDQPGL-UHFFFAOYSA-N 1 0 379.529 3.920 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000567418347 1019291249 /nfs/dbraw/zinc/29/12/49/1019291249.db2.gz VBOOQLSVQUSUOS-QHCPKHFHSA-N 1 0 375.516 3.912 20 30 GHEDRO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC001204411287 1032836382 /nfs/dbraw/zinc/83/63/82/1032836382.db2.gz MNTWXNNYZNFQBB-MBSDFSHPSA-N 1 0 393.506 3.851 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](c4cccnc4)C3)sc2C1 ZINC000578319755 1020343446 /nfs/dbraw/zinc/34/34/46/1020343446.db2.gz WWKHDRBFBZSWIH-DOTOQJQBSA-N 1 0 394.544 3.958 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000579344290 1020407311 /nfs/dbraw/zinc/40/73/11/1020407311.db2.gz XWKMJHFJJZZLGM-ILBGXUMGSA-N 1 0 394.559 3.702 20 30 GHEDRO CSc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F ZINC000190608351 1020707208 /nfs/dbraw/zinc/70/72/08/1020707208.db2.gz AJXACDLWGJUMPW-LIRRHRJNSA-N 1 0 383.492 3.871 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190610300 1020707523 /nfs/dbraw/zinc/70/75/23/1020707523.db2.gz VNPRQTFMJIJCNW-HTAPYJJXSA-N 1 0 377.488 3.799 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1cncc(N2CC[NH2+]CC2)n1 ZINC001156226278 1032932316 /nfs/dbraw/zinc/93/23/16/1032932316.db2.gz JHLZATSNFXIBRO-LJQANCHMSA-N 1 0 398.514 3.526 20 30 GHEDRO N#Cc1ccc(-c2ccn(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2)cc1 ZINC000795715880 1021100042 /nfs/dbraw/zinc/10/00/42/1021100042.db2.gz HDOBTEZIBUABKD-VWLOTQADSA-N 1 0 397.526 3.977 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CCN(Cc1cc(Cl)nc(C(F)(F)F)c1)CC2 ZINC001277315707 1032998026 /nfs/dbraw/zinc/99/80/26/1032998026.db2.gz MGHZKXZOHVGEGM-CYBMUJFWSA-N 1 0 387.833 3.658 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC)c(OCC3CC3)c1)C2 ZINC001140489437 1021812079 /nfs/dbraw/zinc/81/20/79/1021812079.db2.gz OHIJRPHDVLAIGN-REWPJTCUSA-N 1 0 387.520 3.810 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)cc1C#N ZINC001203043099 1021886753 /nfs/dbraw/zinc/88/67/53/1021886753.db2.gz KNOPZUOPBXBSJP-IBGZPJMESA-N 1 0 385.508 3.979 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)nc2)CC1 ZINC001140540509 1021938198 /nfs/dbraw/zinc/93/81/98/1021938198.db2.gz YWDJJVLNJKBQNP-FQEVSTJZSA-N 1 0 384.524 3.955 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(C#N)nc3)C2)C1 ZINC001140541555 1021940258 /nfs/dbraw/zinc/94/02/58/1021940258.db2.gz LEAHGCLZFZDCNL-RTBURBONSA-N 1 0 384.524 3.812 20 30 GHEDRO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)nc1 ZINC001140546416 1021946591 /nfs/dbraw/zinc/94/65/91/1021946591.db2.gz IBVSFXVFTWFDDR-LEWJYISDSA-N 1 0 381.451 3.826 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)cc1 ZINC001228656030 1033031643 /nfs/dbraw/zinc/03/16/43/1033031643.db2.gz RQGMBCXXNDQGLI-XUVXKRRUSA-N 1 0 375.516 3.861 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(Br)ccc1C)CC2 ZINC001140645809 1022146910 /nfs/dbraw/zinc/14/69/10/1022146910.db2.gz GVZPPOGCTOBIRG-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)c(C)cc3F)C2)C1=O ZINC001140700492 1022311342 /nfs/dbraw/zinc/31/13/42/1022311342.db2.gz AVLPERPVQZGJBX-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO CCC1(CNC(=O)COc2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000754107296 1022487580 /nfs/dbraw/zinc/48/75/80/1022487580.db2.gz UBTCZBSPMAJGIV-UHFFFAOYSA-N 1 0 391.515 3.746 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c[nH]c4ccncc34)C[C@@H]2c2ccccc2)C1=O ZINC001140801437 1022570364 /nfs/dbraw/zinc/57/03/64/1022570364.db2.gz NKZVJMCQFNAOTJ-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000754407918 1022681046 /nfs/dbraw/zinc/68/10/46/1022681046.db2.gz KBRVWVANQFCKJR-OAHLLOKOSA-N 1 0 381.423 3.553 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000836307549 1022853206 /nfs/dbraw/zinc/85/32/06/1022853206.db2.gz ZZLKWFIVNOMXEA-LJQANCHMSA-N 1 0 391.515 3.723 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c(O)c(OC)c1 ZINC000754724167 1022859005 /nfs/dbraw/zinc/85/90/05/1022859005.db2.gz ZNMNHRHABRPPAL-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO C=CCc1cc(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)c(O)c(OC)c1 ZINC000754723424 1022859090 /nfs/dbraw/zinc/85/90/90/1022859090.db2.gz SDCMRNOKMIFMPH-UHFFFAOYSA-N 1 0 383.488 3.747 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000754738456 1022870733 /nfs/dbraw/zinc/87/07/33/1022870733.db2.gz BVKSETTVMSZQLN-QGZVFWFLSA-N 1 0 376.497 3.571 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000754748655 1022877229 /nfs/dbraw/zinc/87/72/29/1022877229.db2.gz QKLNDLFFUWNQCD-HZPDHXFCSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c(O)c(OC)c1 ZINC000754748826 1022877729 /nfs/dbraw/zinc/87/77/29/1022877729.db2.gz TWWGENILPDEZJT-RDJZCZTQSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923779 1022900206 /nfs/dbraw/zinc/90/02/06/1022900206.db2.gz GAINYAYQWNKVDV-LEWJYISDSA-N 1 0 378.944 3.980 20 30 GHEDRO CSc1nc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2s1 ZINC000754890717 1022951409 /nfs/dbraw/zinc/95/14/09/1022951409.db2.gz UCMNECVJSNEVSI-UHFFFAOYSA-N 1 0 377.539 3.717 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001228795934 1033100047 /nfs/dbraw/zinc/10/00/47/1033100047.db2.gz KZDRPOVODVTAEW-UXHICEINSA-N 1 0 391.515 3.503 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000836749769 1023338318 /nfs/dbraw/zinc/33/83/18/1023338318.db2.gz AIAZKZWKLQFHQD-UHFFFAOYSA-N 1 0 389.297 3.769 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000756553564 1023711627 /nfs/dbraw/zinc/71/16/27/1023711627.db2.gz USXSTRKSVNBVAB-FQEVSTJZSA-N 1 0 376.456 3.502 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000756868112 1023841060 /nfs/dbraw/zinc/84/10/60/1023841060.db2.gz UBOQUSVBOUZIRE-XZOQPEGZSA-N 1 0 391.515 3.896 20 30 GHEDRO C#CC[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000757062423 1023923966 /nfs/dbraw/zinc/92/39/66/1023923966.db2.gz OIVMZRZNGUDEJV-GGAORHGYSA-N 1 0 375.516 3.915 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnc3ccc(OC)cc13)CC2 ZINC001141147796 1023969522 /nfs/dbraw/zinc/96/95/22/1023969522.db2.gz GAGVPFZMYAEEQQ-QHCPKHFHSA-N 1 0 379.504 3.777 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccnc3ccc(OC)cc13)CCO2 ZINC001141149690 1023971409 /nfs/dbraw/zinc/97/14/09/1023971409.db2.gz OXTQDYCNTHUKPS-WMZHIEFXSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1=O ZINC001141205343 1024126455 /nfs/dbraw/zinc/12/64/55/1024126455.db2.gz CSUXSSPRCKMIJM-HSZRJFAPSA-N 1 0 379.479 3.888 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H](C#N)CCc2ccccc2)CCC1 ZINC001141269543 1024347799 /nfs/dbraw/zinc/34/77/99/1024347799.db2.gz KKXOAHXSSXUAOP-QFIPXVFZSA-N 1 0 375.516 3.930 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncc(Cl)nc2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001156749435 1033220747 /nfs/dbraw/zinc/22/07/47/1033220747.db2.gz CDYKZKCCWZSAHO-ZDUSSCGKSA-N 1 0 396.882 3.824 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncc(C#N)cc2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001156750054 1033221008 /nfs/dbraw/zinc/22/10/08/1033221008.db2.gz JZNQAFXMLVCPKH-HNNXBMFYSA-N 1 0 386.459 3.647 20 30 GHEDRO C#CCOc1cccc(Cl)c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001205033865 1033221744 /nfs/dbraw/zinc/22/17/44/1033221744.db2.gz XMZHMDKOXDBVQQ-UHFFFAOYSA-N 1 0 393.918 3.932 20 30 GHEDRO N#C[C@@]1(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCc2ccccc2C1 ZINC001138309664 1024614670 /nfs/dbraw/zinc/61/46/70/1024614670.db2.gz UWZNIYLFJJMEFC-UKILVPOCSA-N 1 0 387.527 3.509 20 30 GHEDRO C#CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](CC)C2)cc1OC ZINC001138345235 1024706376 /nfs/dbraw/zinc/70/63/76/1024706376.db2.gz AIPGVOHWTAHLKF-SFHVURJKSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C)CC(=O)OC)cc1OC ZINC001138347408 1024709586 /nfs/dbraw/zinc/70/95/86/1024709586.db2.gz WRSWBBKIEGTRSI-GOSISDBHSA-N 1 0 381.472 3.661 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000831691903 1024746537 /nfs/dbraw/zinc/74/65/37/1024746537.db2.gz YPRWVWUPHYWPLA-DUXPYHPUSA-N 1 0 377.282 3.631 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccc(N(CC)CC)cc1OC)CCC2 ZINC001138386728 1024757488 /nfs/dbraw/zinc/75/74/88/1024757488.db2.gz UTSGTWYAAKGUPU-UHFFFAOYSA-N 1 0 398.551 3.846 20 30 GHEDRO N#CC1(NC(=O)CCC[C@H](O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000831794796 1024875573 /nfs/dbraw/zinc/87/55/73/1024875573.db2.gz SIRVVKZMPZJERR-QFIPXVFZSA-N 1 0 391.515 3.565 20 30 GHEDRO C#CC1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC1 ZINC000831854945 1024942164 /nfs/dbraw/zinc/94/21/64/1024942164.db2.gz FWBRCYDNKZOFTL-UHFFFAOYSA-N 1 0 375.900 3.690 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1 ZINC001138559676 1025020932 /nfs/dbraw/zinc/02/09/32/1025020932.db2.gz PQPLKENGEAYUJO-UHFFFAOYSA-N 1 0 396.556 3.627 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559447 1025020962 /nfs/dbraw/zinc/02/09/62/1025020962.db2.gz VCODACFEQNAKIB-TUSQITKMSA-N 1 0 389.543 3.826 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)cc1 ZINC001138559920 1025023012 /nfs/dbraw/zinc/02/30/12/1025023012.db2.gz WDCSUDNYVNGRHD-QHCPKHFHSA-N 1 0 394.540 3.888 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1O ZINC001138627240 1025126731 /nfs/dbraw/zinc/12/67/31/1025126731.db2.gz AJECYPWPTHNKSW-DNVJHFABSA-N 1 0 394.515 3.854 20 30 GHEDRO C=CCc1cccc(C[N@H+]2C[C@H]3CN(Cc4cccc(C)c4)C(=O)[C@H]3C2)c1O ZINC001138628082 1025128911 /nfs/dbraw/zinc/12/89/11/1025128911.db2.gz SMCCUFZWPGPNQZ-VXKWHMMOSA-N 1 0 376.500 3.520 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001138661523 1025181018 /nfs/dbraw/zinc/18/10/18/1025181018.db2.gz BCNOGXVBZITMCX-QHCPKHFHSA-N 1 0 377.488 3.666 20 30 GHEDRO C#Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000838641172 1025259391 /nfs/dbraw/zinc/25/93/91/1025259391.db2.gz GUDRLXSHIBJVNO-XXBNENTESA-N 1 0 375.516 3.862 20 30 GHEDRO COc1cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ccc1C#N ZINC000832302313 1025426754 /nfs/dbraw/zinc/42/67/54/1025426754.db2.gz OINHACRNAIBLTB-QGZVFWFLSA-N 1 0 391.393 3.618 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)ccc1F ZINC001205172860 1033283109 /nfs/dbraw/zinc/28/31/09/1033283109.db2.gz ZFWZKTMKQFIOKJ-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001141580684 1025687161 /nfs/dbraw/zinc/68/71/61/1025687161.db2.gz HOFAHZWGOJPYMY-UHFFFAOYSA-N 1 0 384.907 3.533 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCN(CC(F)(F)F)C2=O)CC1 ZINC001139031434 1025800902 /nfs/dbraw/zinc/80/09/02/1025800902.db2.gz YIOIYLQXUMAJBX-UHFFFAOYSA-N 1 0 382.426 3.628 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001139032383 1025803252 /nfs/dbraw/zinc/80/32/52/1025803252.db2.gz MJSDKBBIQWNISV-UHFFFAOYSA-N 1 0 397.544 3.836 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001139033036 1025804648 /nfs/dbraw/zinc/80/46/48/1025804648.db2.gz ZESJEIBOYMKIJM-FUDKSRODSA-N 1 0 391.515 3.793 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001139032921 1025804929 /nfs/dbraw/zinc/80/49/29/1025804929.db2.gz WXIXADAJEFRZFF-UHFFFAOYSA-N 1 0 376.500 3.706 20 30 GHEDRO C[C@H]1CCN(c2ncc(C#N)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001162638182 1025845516 /nfs/dbraw/zinc/84/55/16/1025845516.db2.gz OPZNGCYXADEBCH-HNNXBMFYSA-N 1 0 385.309 3.817 20 30 GHEDRO COc1cccc(CC[NH2+]Cc2cc(C#N)ccc2Br)c1OC ZINC001461063565 1069370782 /nfs/dbraw/zinc/37/07/82/1069370782.db2.gz IFGOAOIUSNSBNL-UHFFFAOYSA-N 1 0 375.266 3.670 20 30 GHEDRO N#Cc1c2c(cnc1N[C@@H]1C[NH2+]Cc3ccsc31)CCN2Cc1ccccc1 ZINC001163220660 1026093241 /nfs/dbraw/zinc/09/32/41/1026093241.db2.gz GITZXXUXIKLDTJ-LJQANCHMSA-N 1 0 387.512 3.834 20 30 GHEDRO CCOC(=O)c1cc(C)nc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1C#N ZINC001163315729 1026140701 /nfs/dbraw/zinc/14/07/01/1026140701.db2.gz RBEKSJWQCGIOGN-QGZVFWFLSA-N 1 0 382.508 3.671 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(N[C@@H](CCCC[NH3+])C(=O)N3CCCC3)c12 ZINC001163461439 1026202235 /nfs/dbraw/zinc/20/22/35/1026202235.db2.gz FONHEDIPRDHIRH-KRWDZBQOSA-N 1 0 399.926 3.600 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@@H]1CCc2ccccc21 ZINC001139382571 1026250655 /nfs/dbraw/zinc/25/06/55/1026250655.db2.gz YTGNTYJFDKTGLL-DNVFCKCGSA-N 1 0 375.516 3.818 20 30 GHEDRO C[N@@H+]1CCN(c2nccc(Oc3cccc(C#N)c3)n2)[C@H](Cc2ccccc2)C1 ZINC001163662898 1026271668 /nfs/dbraw/zinc/27/16/68/1026271668.db2.gz SRJMPFXULGDCHV-HXUWFJFHSA-N 1 0 385.471 3.504 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+](C)C[C@@H]3c3ccccc3)nn2)cc1 ZINC001163669572 1026273594 /nfs/dbraw/zinc/27/35/94/1026273594.db2.gz RPGFURMYPNWGCF-JTHBVZDNSA-N 1 0 383.499 3.934 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139403082 1026274820 /nfs/dbraw/zinc/27/48/20/1026274820.db2.gz HEJGYUJGCWCYSB-VWNXMTODSA-N 1 0 389.499 3.946 20 30 GHEDRO N#Cc1ccc(N2CCCN(Cc3cccc(Br)c3F)CC2)nc1 ZINC001139534096 1026393065 /nfs/dbraw/zinc/39/30/65/1026393065.db2.gz BQLZRTXBHRCYAU-UHFFFAOYSA-N 1 0 389.272 3.567 20 30 GHEDRO C[C@@H]1CC[C@H](C[NH3+])N(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001164077881 1026404699 /nfs/dbraw/zinc/40/46/99/1026404699.db2.gz KYQRQMTWPZDMBV-IUODEOHRSA-N 1 0 391.853 3.777 20 30 GHEDRO N#CC1(c2cccnc2NCC2(CO)CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001164357564 1026493562 /nfs/dbraw/zinc/49/35/62/1026493562.db2.gz JUOUJNVVFRRGPI-UHFFFAOYSA-N 1 0 390.531 3.713 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001164439181 1026514680 /nfs/dbraw/zinc/51/46/80/1026514680.db2.gz LYEFYHJZWXMAML-UHFFFAOYSA-N 1 0 376.838 3.648 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001139688611 1026539480 /nfs/dbraw/zinc/53/94/80/1026539480.db2.gz QKYRRICXFISJEV-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO N#Cc1c(Cl)cccc1CN1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001139688477 1026539885 /nfs/dbraw/zinc/53/98/85/1026539885.db2.gz MOXARYIAQHZZEM-SIKLNZKXSA-N 1 0 397.906 3.947 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@@]4(CC(=O)N(c5cccc(F)c5)C4)C3)c[nH]c21 ZINC001139705292 1026549430 /nfs/dbraw/zinc/54/94/30/1026549430.db2.gz OWEJRHFWUYKQSO-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3cccc(C(=O)OC)c13)CCO2 ZINC001139718709 1026560978 /nfs/dbraw/zinc/56/09/78/1026560978.db2.gz AGLFKQQNRASCDP-WZONZLPQSA-N 1 0 398.503 3.528 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)cc1C#N ZINC001139725701 1026570340 /nfs/dbraw/zinc/57/03/40/1026570340.db2.gz YEMGSZOUCAORFH-RPWUZVMVSA-N 1 0 391.515 3.850 20 30 GHEDRO N#Cc1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc(Cl)n1 ZINC001165090340 1026599826 /nfs/dbraw/zinc/59/98/26/1026599826.db2.gz YDNJZFIMEHKLQS-MAUKXSAKSA-N 1 0 388.849 3.862 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC3=CN(C(=O)OC(C)(C)C)CCC3)cc2C#N)CC1 ZINC001213053660 1026630251 /nfs/dbraw/zinc/63/02/51/1026630251.db2.gz KNHFGKKAYKIAHU-UHFFFAOYSA-N 1 0 397.523 3.594 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001165160084 1026640041 /nfs/dbraw/zinc/64/00/41/1026640041.db2.gz IBFNXSRQYJPMQZ-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001461129921 1069406164 /nfs/dbraw/zinc/40/61/64/1069406164.db2.gz LTTBRFYYQMAYPF-JOCHJYFZSA-N 1 0 383.923 3.992 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c1 ZINC001139876648 1026691966 /nfs/dbraw/zinc/69/19/66/1026691966.db2.gz HUCCTFPVZYCRAW-DEOSSOPVSA-N 1 0 391.490 3.755 20 30 GHEDRO N#Cc1cc(F)cc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001139876718 1026693833 /nfs/dbraw/zinc/69/38/33/1026693833.db2.gz KKIGXFSBPCZRRD-HSZRJFAPSA-N 1 0 397.469 3.955 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165305462 1026699099 /nfs/dbraw/zinc/69/90/99/1026699099.db2.gz ZOPCCJYFSKWXNC-CQSZACIVSA-N 1 0 395.816 3.808 20 30 GHEDRO N#Cc1nc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(Cl)cc1Cl ZINC001165307930 1026700229 /nfs/dbraw/zinc/70/02/29/1026700229.db2.gz TUOHMALXLXFHBW-GFCCVEGCSA-N 1 0 379.213 3.913 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c12 ZINC001165433807 1026727314 /nfs/dbraw/zinc/72/73/14/1026727314.db2.gz KSFPYMYCHJUTFW-DGCLKSJQSA-N 1 0 376.838 3.721 20 30 GHEDRO N#Cc1cc2nc(Cl)c(NCC3C[NH+](Cc4ccccc4)C3)nc2cc1C#N ZINC001165442077 1026728173 /nfs/dbraw/zinc/72/81/73/1026728173.db2.gz IDHSWSSDLFEVMM-UHFFFAOYSA-N 1 0 388.862 3.570 20 30 GHEDRO Cc1cccc(N(c2nc(C)c(C#N)cc2Cl)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165776510 1026833398 /nfs/dbraw/zinc/83/33/98/1026833398.db2.gz PUAOYZSRMGETAP-WIYYLYMNSA-N 1 0 382.895 3.883 20 30 GHEDRO CCCc1cc(C#N)c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1Cl ZINC001165911172 1026866758 /nfs/dbraw/zinc/86/67/58/1026866758.db2.gz PCYDYZAZGZOZHM-UHFFFAOYSA-N 1 0 398.942 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H]21 ZINC001140110477 1026891984 /nfs/dbraw/zinc/89/19/84/1026891984.db2.gz MEJNPONFCSSYPI-OXQOHEQNSA-N 1 0 380.492 3.871 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(CC(=O)N(c5ccsc5)C4)C3)c2c1 ZINC001140112592 1026892984 /nfs/dbraw/zinc/89/29/84/1026892984.db2.gz BMRDEFQDKSLHPM-NRFANRHFSA-N 1 0 376.485 3.730 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H]4[C@H](CCN4Cc4nccs4)C3)c2c1 ZINC001140114560 1026897127 /nfs/dbraw/zinc/89/71/27/1026897127.db2.gz XHKGMRCBYAQWJX-OXQOHEQNSA-N 1 0 377.517 3.592 20 30 GHEDRO COC(=O)c1ccc(OC2CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)cc1 ZINC001140114754 1026897347 /nfs/dbraw/zinc/89/73/47/1026897347.db2.gz YIJDYJHROVCNAR-UHFFFAOYSA-N 1 0 389.455 3.870 20 30 GHEDRO N#CCCN1CC[NH+](Cc2ccc(-c3cccc(Br)n3)cc2)CC1 ZINC001140174233 1026946774 /nfs/dbraw/zinc/94/67/74/1026946774.db2.gz PFMCHLQMLZRLBC-UHFFFAOYSA-N 1 0 385.309 3.542 20 30 GHEDRO Cc1ccc(N(c2ccc(CC#N)c(C)n2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166312572 1026972132 /nfs/dbraw/zinc/97/21/32/1026972132.db2.gz KGUFFOISIRYWPW-UHFFFAOYSA-N 1 0 384.487 3.713 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OC)cc3OC)CC2)C1 ZINC001203472224 1027363359 /nfs/dbraw/zinc/36/33/59/1027363359.db2.gz ZLRATZWLIMEJSJ-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO COc1cccc(C[NH+]2CCC(Nc3cc(C)c([N+](=O)[O-])cc3C#N)CC2)c1 ZINC000840247497 1027378366 /nfs/dbraw/zinc/37/83/66/1027378366.db2.gz PBAFVRGCFLZUKT-UHFFFAOYSA-N 1 0 380.448 3.860 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Br)ccc1O)CC2 ZINC001203641939 1027499885 /nfs/dbraw/zinc/49/98/85/1027499885.db2.gz BXRDQHCKGSWZBT-IBGZPJMESA-N 1 0 393.325 3.688 20 30 GHEDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC001203749708 1027573153 /nfs/dbraw/zinc/57/31/53/1027573153.db2.gz ASICPIDKIFNZTI-SZZPACECSA-N 1 0 375.284 3.778 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCC(C(=O)N2CCCCC2)CC1 ZINC001141903177 1027627205 /nfs/dbraw/zinc/62/72/05/1027627205.db2.gz UMVRLHFDNNTMFV-UHFFFAOYSA-N 1 0 390.325 3.545 20 30 GHEDRO COc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001203822093 1027635406 /nfs/dbraw/zinc/63/54/06/1027635406.db2.gz DIXASNGJRYUYEN-DEOSSOPVSA-N 1 0 391.515 3.686 20 30 GHEDRO COc1ccc([C@H](CNC(=O)NCC2(C#N)CCCCC2)[NH+]2CCCCC2)cc1 ZINC001210849112 1027677886 /nfs/dbraw/zinc/67/78/86/1027677886.db2.gz CZOFIKMHDZYZIN-NRFANRHFSA-N 1 0 398.551 3.995 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)cc1 ZINC001203900958 1027692687 /nfs/dbraw/zinc/69/26/87/1027692687.db2.gz ASDPHRJGJFUMGJ-NRFANRHFSA-N 1 0 377.488 3.651 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C(F)(F)F)C1 ZINC001203900077 1027692811 /nfs/dbraw/zinc/69/28/11/1027692811.db2.gz PVAAEYAIPXDRPZ-VQIMIIECSA-N 1 0 395.425 3.789 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccc(Cl)cc4)C3)C2)n1 ZINC001203919682 1027707696 /nfs/dbraw/zinc/70/76/96/1027707696.db2.gz IJRNZIQTRPDEMY-QFIPXVFZSA-N 1 0 396.922 3.726 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(OC)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001203952860 1027748066 /nfs/dbraw/zinc/74/80/66/1027748066.db2.gz DLMBBHPWRUXOEJ-VWNXMTODSA-N 1 0 376.500 3.699 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1C#N ZINC000841156698 1028225020 /nfs/dbraw/zinc/22/50/20/1028225020.db2.gz SBLIDKHCSZXJHZ-UHFFFAOYSA-N 1 0 395.463 3.510 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001213893519 1028435949 /nfs/dbraw/zinc/43/59/49/1028435949.db2.gz HVBKXPTWCRMJKM-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000841409817 1028586098 /nfs/dbraw/zinc/58/60/98/1028586098.db2.gz OISFNODBUXYKJC-IBGZPJMESA-N 1 0 380.448 3.758 20 30 GHEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC001214241083 1028615033 /nfs/dbraw/zinc/61/50/33/1028615033.db2.gz XTXKARPZQWNPOU-HXUWFJFHSA-N 1 0 397.544 3.626 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(OC(F)(F)F)c(CO)c3)sc2C1 ZINC001214825226 1028926192 /nfs/dbraw/zinc/92/61/92/1028926192.db2.gz UFBFXBQIKMTRHR-UHFFFAOYSA-N 1 0 383.395 3.742 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000841818478 1028965326 /nfs/dbraw/zinc/96/53/26/1028965326.db2.gz SLPMKTXUDNLRAU-UNMCSNQZSA-N 1 0 394.519 3.990 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000841819436 1028966295 /nfs/dbraw/zinc/96/62/95/1028966295.db2.gz ZPALSSGRWZFVDO-FPOVZHCZSA-N 1 0 380.492 3.647 20 30 GHEDRO COCOc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1Cl ZINC001215259166 1029117407 /nfs/dbraw/zinc/11/74/07/1029117407.db2.gz GTAKDAWZWZLFHA-UHFFFAOYSA-N 1 0 386.883 3.690 20 30 GHEDRO CC[NH+]1CCN(c2ccc(-c3nc(-c4cc(F)cc(C#N)c4)no3)cc2)CC1 ZINC001215476106 1029231644 /nfs/dbraw/zinc/23/16/44/1029231644.db2.gz OVHHNIITARFSSS-UHFFFAOYSA-N 1 0 377.423 3.556 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001215512763 1029248110 /nfs/dbraw/zinc/24/81/10/1029248110.db2.gz VHUZQYKYYIKXAA-LPHOPBHVSA-N 1 0 381.451 3.622 20 30 GHEDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001216110865 1029527803 /nfs/dbraw/zinc/52/78/03/1029527803.db2.gz UONCZXZURXPMKE-CQSZACIVSA-N 1 0 388.903 3.639 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000842830561 1029616488 /nfs/dbraw/zinc/61/64/88/1029616488.db2.gz NOWAUIAOKPCFEC-SFHVURJKSA-N 1 0 387.499 3.577 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@]4(CC(=O)N(c5ccsc5)C4)C3)c[nH]c2c1 ZINC001142928777 1029709317 /nfs/dbraw/zinc/70/93/17/1029709317.db2.gz KKZIIQKXKBXRGL-NRFANRHFSA-N 1 0 376.485 3.730 20 30 GHEDRO C[NH+](C)CCOc1cc(F)ccc1Nc1ccc(OC2CCOCC2)c(C#N)c1 ZINC001216668068 1029723600 /nfs/dbraw/zinc/72/36/00/1029723600.db2.gz DXJYXZFNEXNARJ-UHFFFAOYSA-N 1 0 399.466 3.939 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001222004543 1029927051 /nfs/dbraw/zinc/92/70/51/1029927051.db2.gz IXKRMUGAXHAUQG-RTWAWAEBSA-N 1 0 398.551 3.964 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(-c3nc(-c4ccc(C#N)c(C)c4)no3)cc2)CC1 ZINC001216842529 1029957930 /nfs/dbraw/zinc/95/79/30/1029957930.db2.gz MLLPMZAMLKBYEZ-UHFFFAOYSA-N 1 0 387.487 3.721 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OCC)c(F)c1F)CC2 ZINC001143274305 1029975266 /nfs/dbraw/zinc/97/52/66/1029975266.db2.gz CNFBMXUVDVEYDC-OAQYLSRUSA-N 1 0 378.463 3.897 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000843482732 1030034198 /nfs/dbraw/zinc/03/41/98/1030034198.db2.gz AZHFOQQZVAMCGI-RFMOXSJOSA-N 1 0 390.274 3.836 20 30 GHEDRO CN(C)c1ccc(C[NH+]2CCC3(CNc4ccc(F)cc43)CC2)c(F)c1C#N ZINC001222330933 1030076395 /nfs/dbraw/zinc/07/63/95/1030076395.db2.gz VLJOMFQWNLSASA-UHFFFAOYSA-N 1 0 382.458 3.862 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1OC(F)(F)F ZINC001217012196 1030086221 /nfs/dbraw/zinc/08/62/21/1030086221.db2.gz BOKYPJJZBLWWJZ-OAHLLOKOSA-N 1 0 382.386 3.595 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@H]2CSc3ccccc3O2)c1 ZINC001461610022 1069640010 /nfs/dbraw/zinc/64/00/10/1069640010.db2.gz RJTBBUSUOVEJSC-AWEZNQCLSA-N 1 0 375.291 3.964 20 30 GHEDRO N#CC1(NC(=O)c2cc3cccc(F)c3[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001150764802 1030647658 /nfs/dbraw/zinc/64/76/58/1030647658.db2.gz RXOGOHPZTUDHJD-UHFFFAOYSA-N 1 0 376.435 3.595 20 30 GHEDRO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cc(-c4ccsc4)cs3)C2)OCC1=O ZINC001276907385 1030675524 /nfs/dbraw/zinc/67/55/24/1030675524.db2.gz VUPZDRNKXTUATJ-HXUWFJFHSA-N 1 0 388.558 3.856 20 30 GHEDRO C[C@H](Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21)C1CC[NH2+]CC1 ZINC001218009747 1030721668 /nfs/dbraw/zinc/72/16/68/1030721668.db2.gz NROBVRKOMCRQIH-HNNXBMFYSA-N 1 0 390.462 3.998 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC001218027689 1030731117 /nfs/dbraw/zinc/73/11/17/1030731117.db2.gz AJJVSWHIMRHKGJ-HCUSCBHBSA-N 1 0 397.471 3.769 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC001218027692 1030731250 /nfs/dbraw/zinc/73/12/50/1030731250.db2.gz AJJVSWHIMRHKGJ-YYQKXRDQSA-N 1 0 397.471 3.769 20 30 GHEDRO COc1ccc(/C=C\C(=O)c2ccccc2O[C@@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001218100906 1030772026 /nfs/dbraw/zinc/77/20/26/1030772026.db2.gz ZAWUKBYGWRGDEN-YFWYWMRJSA-N 1 0 381.497 3.818 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2CC[C@]23CC[NH2+]C3)c(Br)c1 ZINC001218113503 1030778966 /nfs/dbraw/zinc/77/89/66/1030778966.db2.gz AKGSXUCXCWXWFF-GXTWGEPZSA-N 1 0 386.087 3.604 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c(OC)c1 ZINC001218150123 1030797969 /nfs/dbraw/zinc/79/79/69/1030797969.db2.gz DBHBADPFLWHBBF-VKYHOQBCSA-N 1 0 385.504 3.804 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C(=O)/C=C/c1ccccc1 ZINC001218186653 1030814416 /nfs/dbraw/zinc/81/44/16/1030814416.db2.gz URQGFJGOKAAHOW-AHJPRTNVSA-N 1 0 379.456 3.959 20 30 GHEDRO COc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)ccc1C#N ZINC001461714724 1069697207 /nfs/dbraw/zinc/69/72/07/1069697207.db2.gz NRAIWZJXAUOQLP-OAQYLSRUSA-N 1 0 377.488 3.549 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001218240004 1030845775 /nfs/dbraw/zinc/84/57/75/1030845775.db2.gz YAEGNDYUUAERDQ-BIDBLOKGSA-N 1 0 391.515 3.841 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)c(C#N)c2)nc1C ZINC001218252839 1030855187 /nfs/dbraw/zinc/85/51/87/1030855187.db2.gz VEHQJALFLNNZPO-IAOVAPTHSA-N 1 0 397.500 3.686 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c(OC)c1 ZINC001218325432 1030894471 /nfs/dbraw/zinc/89/44/71/1030894471.db2.gz FUBAUSLTSVPMIK-JJFOWIKLSA-N 1 0 385.504 3.804 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[C@@H](C)[NH2+]C2)c1OC ZINC001218403650 1030923337 /nfs/dbraw/zinc/92/33/37/1030923337.db2.gz YBFFRTXIYURJHP-PTTWRRFTSA-N 1 0 397.471 3.825 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@H]2CC[NH2+]C[C@H]2C)c(O)c1 ZINC001218419444 1030931995 /nfs/dbraw/zinc/93/19/95/1030931995.db2.gz MZXZKZJRZCNHKK-BEFAXECRSA-N 1 0 379.497 3.992 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(Br)c(O)cc1Br ZINC001218454701 1030943297 /nfs/dbraw/zinc/94/32/97/1030943297.db2.gz AEHGKSRBZWYVHR-DGCLKSJQSA-N 1 0 391.103 3.993 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)c3ccccc23)ccc1F ZINC001218469368 1030950314 /nfs/dbraw/zinc/95/03/14/1030950314.db2.gz VHAUWBMGBBZMRW-YIFZBPKDSA-N 1 0 388.446 3.608 20 30 GHEDRO N#Cc1cc(I)c(O[C@H]2C[NH2+]Cc3ccccc32)cc1F ZINC001218492349 1030960571 /nfs/dbraw/zinc/96/05/71/1030960571.db2.gz AEIVBVFDGMTNJB-INIZCTEOSA-N 1 0 394.187 3.525 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001218540434 1030979809 /nfs/dbraw/zinc/97/98/09/1030979809.db2.gz BCFQWTQEWPLTSG-KRWDZBQOSA-N 1 0 390.443 3.806 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](CCO[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001224819069 1031134546 /nfs/dbraw/zinc/13/45/46/1031134546.db2.gz GGTPEJJXTNIVRP-WIYYLYMNSA-N 1 0 399.535 3.796 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)CC1(c2ccc(C)cc2)CC[NH2+]CC1 ZINC001219110381 1031256886 /nfs/dbraw/zinc/25/68/86/1031256886.db2.gz OYVWWLKXIOWEAM-UHFFFAOYSA-N 1 0 381.451 3.664 20 30 GHEDRO CC(C)(C)[NH+]1CCC(Oc2c(C#N)cc(Br)cc2[N+](=O)[O-])CC1 ZINC001225854904 1031654376 /nfs/dbraw/zinc/65/43/76/1031654376.db2.gz OMGUNYWCASDMFL-UHFFFAOYSA-N 1 0 382.258 3.871 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(Br)cc1Br ZINC001226057724 1031763756 /nfs/dbraw/zinc/76/37/56/1031763756.db2.gz JGYQSYHTSLTWBD-LLVKDONJSA-N 1 0 377.100 3.579 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)c2ccccc2)CC1 ZINC001220098398 1031784040 /nfs/dbraw/zinc/78/40/40/1031784040.db2.gz RXSZDXWOFMGRAE-IAGOWNOFSA-N 1 0 382.430 3.603 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(C)c1C)C2 ZINC001277099293 1031789297 /nfs/dbraw/zinc/78/92/97/1031789297.db2.gz YKHYBLKYYPJMES-OAQYLSRUSA-N 1 0 376.928 3.584 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)cc21 ZINC001220204200 1031834524 /nfs/dbraw/zinc/83/45/24/1031834524.db2.gz FHYVLXBSBFDMTD-OAQYLSRUSA-N 1 0 389.503 3.961 20 30 GHEDRO C#Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC001220233721 1031851603 /nfs/dbraw/zinc/85/16/03/1031851603.db2.gz XQXKDQXHJFPEMQ-UHFFFAOYSA-N 1 0 396.922 3.655 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCC#C[C@H]2CCCCO2)C1 ZINC001220523421 1031975866 /nfs/dbraw/zinc/97/58/66/1031975866.db2.gz HEQIXGOBNXFWRW-ZRCGQRJVSA-N 1 0 397.563 3.536 20 30 GHEDRO CSc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC001220554225 1031987848 /nfs/dbraw/zinc/98/78/48/1031987848.db2.gz CEMXYYODVLMDLR-UHFFFAOYSA-N 1 0 394.544 3.744 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(c2cc(C)ccc2C)CC1)C(C)C ZINC001220597733 1032003096 /nfs/dbraw/zinc/00/30/96/1032003096.db2.gz HFNCXJRQVNMIEU-QHCPKHFHSA-N 1 0 398.595 3.834 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2ccc([C@H](C#N)c3ccccc3F)nn2)cn1 ZINC001205211170 1033307088 /nfs/dbraw/zinc/30/70/88/1033307088.db2.gz DJYHXQQGLUDDMR-GOSISDBHSA-N 1 0 391.450 3.664 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)cc1F ZINC001205215210 1033309554 /nfs/dbraw/zinc/30/95/54/1033309554.db2.gz NKVLWIRSZDKLGJ-QHCPKHFHSA-N 1 0 394.494 3.520 20 30 GHEDRO CCn1c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(C)c(C#N)c1=O ZINC001229326071 1033416156 /nfs/dbraw/zinc/41/61/56/1033416156.db2.gz TVLWVKRAJXUURX-ACDBMABISA-N 1 0 377.488 3.623 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001205479288 1033431964 /nfs/dbraw/zinc/43/19/64/1033431964.db2.gz ZGWKGHWAXQJQFR-QTGUNEKASA-N 1 0 378.495 3.825 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1-n1nc(C2CC[NH2+]CC2)c2ccccc21 ZINC001157377130 1033560623 /nfs/dbraw/zinc/56/06/23/1033560623.db2.gz BINFYMHDJDMNAD-UHFFFAOYSA-N 1 0 388.862 3.961 20 30 GHEDRO Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(C#N)cc1N(C)C ZINC001205942453 1033647623 /nfs/dbraw/zinc/64/76/23/1033647623.db2.gz QQNFSBPWFHHQAW-QGZVFWFLSA-N 1 0 391.519 3.501 20 30 GHEDRO COc1cc(C(F)(F)N(C)CC[N@H+](C)Cc2ccccc2)c(C#N)c(Cl)n1 ZINC001157556490 1033658055 /nfs/dbraw/zinc/65/80/55/1033658055.db2.gz JGURBHVSAXFAHB-UHFFFAOYSA-N 1 0 394.853 3.728 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]2C1 ZINC001157690798 1033725456 /nfs/dbraw/zinc/72/54/56/1033725456.db2.gz FKCQQYJXUDISFZ-HUUCEWRRSA-N 1 0 385.874 3.586 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@](F)(C[NH3+])C3)cnc2Cl)c1 ZINC001157816926 1033779267 /nfs/dbraw/zinc/77/92/67/1033779267.db2.gz PDOFABDNRPOCKE-KRWDZBQOSA-N 1 0 380.801 3.696 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(-n3nc(-c4ccccc4)nc3CC[NH3+])c12 ZINC001157902524 1033818990 /nfs/dbraw/zinc/81/89/90/1033818990.db2.gz NPMPGNKTOSWCBK-UHFFFAOYSA-N 1 0 388.862 3.817 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2-n2cnc3ccc(C[NH3+])cc32)cc1 ZINC001158013213 1033868756 /nfs/dbraw/zinc/86/87/56/1033868756.db2.gz YOAVKLDJGARKGN-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO Cc1cc(C#N)c(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)nc1C ZINC001158092851 1033912271 /nfs/dbraw/zinc/91/22/71/1033912271.db2.gz KCYXJRUOUGINRV-UHFFFAOYSA-N 1 0 375.398 3.874 20 30 GHEDRO N#Cc1cnc(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)c(Cl)c1 ZINC001158094257 1033912839 /nfs/dbraw/zinc/91/28/39/1033912839.db2.gz KYSVTUYLULSEFY-UHFFFAOYSA-N 1 0 381.789 3.911 20 30 GHEDRO C=CCC1(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)CCCC1 ZINC001230190969 1033937588 /nfs/dbraw/zinc/93/75/88/1033937588.db2.gz DDDLEILUVJZFHU-NHCUHLMSSA-N 1 0 385.552 3.712 20 30 GHEDRO COc1ccc(CN(c2nc(Cl)c(C#N)cc2C#N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158154698 1033939971 /nfs/dbraw/zinc/93/99/71/1033939971.db2.gz MBFSBBUSZYOAFP-IYARVYRRSA-N 1 0 395.894 3.763 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(-n2ncc3c2cccc3C[NH3+])cc1F ZINC001158311333 1034016081 /nfs/dbraw/zinc/01/60/81/1034016081.db2.gz MSUWTPRASKPOJW-UHFFFAOYSA-N 1 0 378.798 3.605 20 30 GHEDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001207036292 1034062789 /nfs/dbraw/zinc/06/27/89/1034062789.db2.gz WOORPCYWZTYRIQ-XLIONFOSSA-N 1 0 398.551 3.905 20 30 GHEDRO C[NH+]1CCC(N(c2nc(C#N)ccc2NC(=O)C(C)(C)C)C2CCCC2)CC1 ZINC001158488078 1034105827 /nfs/dbraw/zinc/10/58/27/1034105827.db2.gz WJODSUUAERWQEK-UHFFFAOYSA-N 1 0 383.540 3.781 20 30 GHEDRO C=CCN(CC[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001207203645 1034171309 /nfs/dbraw/zinc/17/13/09/1034171309.db2.gz LFMXILNKOPWHLP-KRWDZBQOSA-N 1 0 397.560 3.598 20 30 GHEDRO C=CCN(CC[N@@H+](C)Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC(C)(C)C ZINC001207203849 1034172093 /nfs/dbraw/zinc/17/20/93/1034172093.db2.gz QNYDWRNCPPCRSI-UHFFFAOYSA-N 1 0 394.512 3.567 20 30 GHEDRO C=CCN(CC[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001207204655 1034172739 /nfs/dbraw/zinc/17/27/39/1034172739.db2.gz SWXYLLRXZGCCDQ-NRFANRHFSA-N 1 0 397.560 3.646 20 30 GHEDRO N#Cc1cnc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)c(Cl)c1 ZINC001158669610 1034223667 /nfs/dbraw/zinc/22/36/67/1034223667.db2.gz WLCPBTGYYHRELP-UHFFFAOYSA-N 1 0 380.757 3.950 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCC[C@H](Oc4ccccc4C#N)C3)(C1)C2 ZINC001207270631 1034225935 /nfs/dbraw/zinc/22/59/35/1034225935.db2.gz IIYCYVGABYKTKZ-NWLLBJEDSA-N 1 0 397.519 3.849 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(-n2cc(CC[NH3+])c3ncccc32)cc1F ZINC001158748421 1034257753 /nfs/dbraw/zinc/25/77/53/1034257753.db2.gz AELDJCQRYLASJH-UHFFFAOYSA-N 1 0 392.825 3.648 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](CCc1ccc(Br)cc1)CCC2 ZINC001207381732 1034328346 /nfs/dbraw/zinc/32/83/46/1034328346.db2.gz PGTHEINNZIUCGX-UHFFFAOYSA-N 1 0 390.325 3.797 20 30 GHEDRO COC(=O)C[C@@H](C#N)c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001230993065 1034331143 /nfs/dbraw/zinc/33/11/43/1034331143.db2.gz YNVPEJBCMLAPKE-RBBKRZOGSA-N 1 0 378.472 3.900 20 30 GHEDRO CCOC(=O)C1(C#N)CC[NH+](C[C@@H]2CC=C(CCCC(C)(C)O)CC2)CC1 ZINC001207410901 1034349932 /nfs/dbraw/zinc/34/99/32/1034349932.db2.gz FCXCORIUSRHBOT-LJQANCHMSA-N 1 0 376.541 3.823 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](CCc1ccccc1Br)CC2 ZINC001207528463 1034430939 /nfs/dbraw/zinc/43/09/39/1034430939.db2.gz ZSIKQHUMPZESOA-UHFFFAOYSA-N 1 0 393.325 3.712 20 30 GHEDRO COc1cccc(CCC[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001207564351 1034452480 /nfs/dbraw/zinc/45/24/80/1034452480.db2.gz HUUXNLAWJFYNJE-XMMPIXPASA-N 1 0 389.499 3.628 20 30 GHEDRO COC(=O)c1ccc(Nc2sc3c(c2C#N)CC[NH2+]C3)cc1C(F)(F)F ZINC001159157285 1034456940 /nfs/dbraw/zinc/45/69/40/1034456940.db2.gz FTSZREIZMYKISD-UHFFFAOYSA-N 1 0 381.379 3.814 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001231263683 1034491190 /nfs/dbraw/zinc/49/11/90/1034491190.db2.gz SBDMGGDVXZDDFL-FCEUIQTBSA-N 1 0 380.536 3.875 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC001231264430 1034492840 /nfs/dbraw/zinc/49/28/40/1034492840.db2.gz WOTKTZJMLUAMFB-NRFANRHFSA-N 1 0 380.536 3.854 20 30 GHEDRO COc1cccc(Nc2sc3c(c2C(=O)OC(C)(C)C)CC[NH2+]C3)c1C#N ZINC001159271339 1034514458 /nfs/dbraw/zinc/51/44/58/1034514458.db2.gz DGDZQMDMHHOCPO-UHFFFAOYSA-N 1 0 385.489 3.973 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCO[C@@]2(CCCN(c3cccc(C)c3)C2)C1 ZINC001159291751 1034526248 /nfs/dbraw/zinc/52/62/48/1034526248.db2.gz SCOMQDSCRWCSCX-LADGPHEKSA-N 1 0 399.579 3.657 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(Br)c1C)CC2 ZINC001277509691 1034541666 /nfs/dbraw/zinc/54/16/66/1034541666.db2.gz HOSDKWCDISIVCA-INIZCTEOSA-N 1 0 377.326 3.662 20 30 GHEDRO Cc1ccc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)nc1C#N ZINC001159521425 1034637027 /nfs/dbraw/zinc/63/70/27/1034637027.db2.gz VXORNKFQJGIWIV-QFIPXVFZSA-N 1 0 386.499 3.737 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001207899181 1034642705 /nfs/dbraw/zinc/64/27/05/1034642705.db2.gz PDUZFZHIIIAUOR-HSZRJFAPSA-N 1 0 391.600 3.696 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2)c1ccccc1 ZINC001207903517 1034646536 /nfs/dbraw/zinc/64/65/36/1034646536.db2.gz LVZJWGIMJZUSGO-YKSBVNFPSA-N 1 0 390.531 3.676 20 30 GHEDRO N#Cc1cc(I)c(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC001159846304 1034762006 /nfs/dbraw/zinc/76/20/06/1034762006.db2.gz RMIFEBROTDZQDR-ZJUUUORDSA-N 1 0 385.636 3.636 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3[C@H](C2)OCCN3C(=O)OC(C)(C)C)CC1 ZINC001208171467 1034771314 /nfs/dbraw/zinc/77/13/14/1034771314.db2.gz UOROBWMUZHOMGL-AABGKKOBSA-N 1 0 376.541 3.999 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)CC1 ZINC001208171192 1034771483 /nfs/dbraw/zinc/77/14/83/1034771483.db2.gz QLTNPLCPKMLVTJ-QPPBQGQZSA-N 1 0 379.548 3.712 20 30 GHEDRO C=C(C)[C@@H]1CC=C(CN2CC[C@@H](OC)[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)CC1 ZINC001208175294 1034774891 /nfs/dbraw/zinc/77/48/91/1034774891.db2.gz SGFXBWNYQKEZER-UEQSERJNSA-N 1 0 381.564 3.905 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CCN(S(=O)(=O)C4CC4)CC3)CC2)CC1 ZINC001208178526 1034777491 /nfs/dbraw/zinc/77/74/91/1034777491.db2.gz JDMNTEGSMUNWSA-HXUWFJFHSA-N 1 0 392.609 3.959 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCc3nc(C(=O)N(CC)CC)sc3CC2)c1 ZINC001231622370 1034780503 /nfs/dbraw/zinc/78/05/03/1034780503.db2.gz XXFLEVYTUMYYAV-UHFFFAOYSA-N 1 0 399.560 3.791 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2C[C@H]3CN(Cc4cccc(C)c4)C(=O)[C@H]3C2)c1 ZINC001231622810 1034780844 /nfs/dbraw/zinc/78/08/44/1034780844.db2.gz JGELGHNTQJHNJM-GMAHTHKFSA-N 1 0 376.500 3.650 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001231622963 1034783619 /nfs/dbraw/zinc/78/36/19/1034783619.db2.gz ODTCMQKAPSWQOQ-HXUWFJFHSA-N 1 0 398.478 3.988 20 30 GHEDRO COc1ccc2nc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c(C)nc2c1 ZINC001160107564 1034864070 /nfs/dbraw/zinc/86/40/70/1034864070.db2.gz WAEJFWDLBSWNBA-UHFFFAOYSA-N 1 0 387.487 3.917 20 30 GHEDRO COc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208406070 1034886357 /nfs/dbraw/zinc/88/63/57/1034886357.db2.gz UODKJLRBJJVBCU-SFHVURJKSA-N 1 0 378.476 3.553 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2c3ccccc3OC[C@@H]2C[NH3+])c1C#N ZINC001160198983 1034898719 /nfs/dbraw/zinc/89/87/19/1034898719.db2.gz IPJGPQDBMLSMCH-HNNXBMFYSA-N 1 0 389.484 3.595 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(F)c(C)c3Cl)C2)C1=O ZINC001277565959 1034906392 /nfs/dbraw/zinc/90/63/92/1034906392.db2.gz BDPBVPSNZKGWOK-HXUWFJFHSA-N 1 0 378.875 3.705 20 30 GHEDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(N(C)CCC#N)cc1 ZINC001231821203 1034929420 /nfs/dbraw/zinc/92/94/20/1034929420.db2.gz TYCWMVFCHDISQQ-OAQYLSRUSA-N 1 0 389.540 3.607 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001208601315 1034952457 /nfs/dbraw/zinc/95/24/57/1034952457.db2.gz YSOSDWDDFYPMKU-QHCPKHFHSA-N 1 0 388.515 3.638 20 30 GHEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001160466612 1034983712 /nfs/dbraw/zinc/98/37/12/1034983712.db2.gz STUWVRUYZAJGBY-RTCCRHLQSA-N 1 0 375.250 3.914 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)C[C@H]([NH3+])Cc3ccccc3Cl)CC2)cc1 ZINC001160566279 1035004155 /nfs/dbraw/zinc/00/41/55/1035004155.db2.gz PDGNDDPHBZSZAJ-OAQYLSRUSA-N 1 0 395.934 3.953 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC001208850149 1035057030 /nfs/dbraw/zinc/05/70/30/1035057030.db2.gz YSSYUABFEMJGJY-XZOQPEGZSA-N 1 0 377.488 3.588 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@H+](CCCc1ccc(C#N)cc1)CCO2 ZINC001208856415 1035061770 /nfs/dbraw/zinc/06/17/70/1035061770.db2.gz MPUKAFCPPLMYQE-HSZRJFAPSA-N 1 0 399.535 3.593 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@H+](CCCc3ccc(C#N)cc3)[C@@H]3CCCO[C@H]23)cs1 ZINC001208858509 1035062494 /nfs/dbraw/zinc/06/24/94/1035062494.db2.gz HAHNEZGUUFAHFN-VSKRKVRLSA-N 1 0 397.544 3.704 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CC3CCN(c4ccccc4)CC3)CC2)c(F)c1 ZINC001208911951 1035086872 /nfs/dbraw/zinc/08/68/72/1035086872.db2.gz JONZRALFPDZXDV-UHFFFAOYSA-N 1 0 378.495 3.736 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC001208929969 1035092793 /nfs/dbraw/zinc/09/27/93/1035092793.db2.gz WTNVMDMVRXDINP-SJORKVTESA-N 1 0 397.441 3.878 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)cc1Cl ZINC001232114438 1035103584 /nfs/dbraw/zinc/10/35/84/1035103584.db2.gz JBTWJFHDULFNAB-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC001160994044 1035114505 /nfs/dbraw/zinc/11/45/05/1035114505.db2.gz KGSLJFJHAHWBEB-DHIUTWEWSA-N 1 0 387.527 3.877 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(Br)c(Cl)c3)CC2)C1=O ZINC001276604707 1035138789 /nfs/dbraw/zinc/13/87/89/1035138789.db2.gz XNVHUDPNPOYDNM-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@H](CC[NH+]2CCC(C#Cc3ccccc3)CC2)C1 ZINC001209068465 1035162494 /nfs/dbraw/zinc/16/24/94/1035162494.db2.gz BRNUSSRELFPNFU-QFIPXVFZSA-N 1 0 398.547 3.776 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCc1cc(F)cc(F)c1)CC2 ZINC001209130668 1035186956 /nfs/dbraw/zinc/18/69/56/1035186956.db2.gz LUCUGQHIKMDVML-UHFFFAOYSA-N 1 0 387.474 3.875 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161245918 1035191502 /nfs/dbraw/zinc/19/15/02/1035191502.db2.gz GEQPOGFWWJGTRG-UHFFFAOYSA-N 1 0 384.487 3.734 20 30 GHEDRO C=CCCC[NH+]1CCC2(C[C@@H](CC(=O)N3CCN(C)CC3)c3ccccc32)CC1 ZINC001209161935 1035196513 /nfs/dbraw/zinc/19/65/13/1035196513.db2.gz PDPOFIBXYCDDQJ-OAQYLSRUSA-N 1 0 395.591 3.638 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCCc4cccnc4)C3)C2)c1 ZINC001209176288 1035200998 /nfs/dbraw/zinc/20/09/98/1035200998.db2.gz IDDKZAPYZHLKTH-DEOSSOPVSA-N 1 0 390.531 3.505 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCCN(C(=O)c3ccccc3C3CC[NH2+]CC3)C2)cc1 ZINC001161328485 1035209265 /nfs/dbraw/zinc/20/92/65/1035209265.db2.gz AOGVPYODLRCGEY-NRFANRHFSA-N 1 0 389.499 3.709 20 30 GHEDRO N#CC[C@@H](NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(F)(F)F ZINC001209328279 1035243080 /nfs/dbraw/zinc/24/30/80/1035243080.db2.gz ARQPPLGEQYTYPZ-GOSISDBHSA-N 1 0 390.409 3.512 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)cc2)C1 ZINC001209329984 1035243096 /nfs/dbraw/zinc/24/30/96/1035243096.db2.gz MUHNXRYOBKLYQU-RVKKMQEKSA-N 1 0 396.457 3.808 20 30 GHEDRO CCN(C(=O)N[C@H](CC#N)C(F)(F)F)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001209330406 1035243728 /nfs/dbraw/zinc/24/37/28/1035243728.db2.gz QTNPHBFWFRNBES-HYVNUMGLSA-N 1 0 382.430 3.698 20 30 GHEDRO C=CCCCCC[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001209427426 1035272773 /nfs/dbraw/zinc/27/27/73/1035272773.db2.gz QEYVCZJPUZBKQU-UHFFFAOYSA-N 1 0 383.580 3.789 20 30 GHEDRO C=CCCCCCC[N@@H+]1CCCO[C@]2(COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001209436816 1035273932 /nfs/dbraw/zinc/27/39/32/1035273932.db2.gz ZFWNTOISUCCEEU-JOCHJYFZSA-N 1 0 396.572 3.851 20 30 GHEDRO C=CCCCCCC[N@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC001209437371 1035273984 /nfs/dbraw/zinc/27/39/84/1035273984.db2.gz JSBGJGOPWGARMR-FCHUYYIVSA-N 1 0 390.593 3.801 20 30 GHEDRO C=CCCCCCC[N@H+]1CCC[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 ZINC001209440788 1035274869 /nfs/dbraw/zinc/27/48/69/1035274869.db2.gz OAJNAYRNSXROFD-ZWKOTPCHSA-N 1 0 382.545 3.901 20 30 GHEDRO CC[C@@H](CN1CCC(C#N)(c2ccccc2F)CC1)NC(=O)OC(C)(C)C ZINC001209475133 1035286194 /nfs/dbraw/zinc/28/61/94/1035286194.db2.gz ROFCGZWOXAAJOK-INIZCTEOSA-N 1 0 375.488 3.986 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)c1 ZINC001248154677 1035580035 /nfs/dbraw/zinc/58/00/35/1035580035.db2.gz ICZLJWYCCBKKSA-CQSZACIVSA-N 1 0 398.253 3.899 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)cc1 ZINC001248157459 1035583957 /nfs/dbraw/zinc/58/39/57/1035583957.db2.gz PXPUDAJTCLDDDX-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001248180915 1035609589 /nfs/dbraw/zinc/60/95/89/1035609589.db2.gz MJPIIAHTPPSSNB-SFHVURJKSA-N 1 0 379.423 3.746 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(C[C@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)n2)c1 ZINC001248218178 1035650146 /nfs/dbraw/zinc/65/01/46/1035650146.db2.gz UHEWENNPDGZRKO-MRXNPFEDSA-N 1 0 390.340 3.879 20 30 GHEDRO C[NH+]1CCC(n2cc(-c3ccc(COc4ccc(CC#N)cc4)cn3)cn2)CC1 ZINC001242727469 1035948259 /nfs/dbraw/zinc/94/82/59/1035948259.db2.gz DRYQDWBGYQFQJK-UHFFFAOYSA-N 1 0 387.487 3.857 20 30 GHEDRO CCc1cc(C#N)ccc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001248750658 1036108160 /nfs/dbraw/zinc/10/81/60/1036108160.db2.gz REBCGBGETVEVAL-GGAORHGYSA-N 1 0 379.479 3.597 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001248753210 1036110202 /nfs/dbraw/zinc/11/02/02/1036110202.db2.gz XEVOTZNAOJJAPA-KRWDZBQOSA-N 1 0 390.409 3.973 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001248751469 1036110343 /nfs/dbraw/zinc/11/03/43/1036110343.db2.gz XNESNZZBAPNCMT-UHFFFAOYSA-N 1 0 389.425 3.642 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001248751276 1036110465 /nfs/dbraw/zinc/11/04/65/1036110465.db2.gz QNZVENHKQYVTMF-OAQYLSRUSA-N 1 0 397.473 3.648 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3nccc(-c4cc(C#N)c(F)cc4F)n3)c2)CC1 ZINC001243668331 1036244560 /nfs/dbraw/zinc/24/45/60/1036244560.db2.gz BPONLPPBEMUMFY-UHFFFAOYSA-N 1 0 391.425 3.712 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1nc2c(cc1C#N)CCCC2(C)C ZINC001244287351 1036462294 /nfs/dbraw/zinc/46/22/94/1036462294.db2.gz YYUQQJCMDWZXLB-UHFFFAOYSA-N 1 0 376.504 3.652 20 30 GHEDRO N#Cc1ccc(-c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC001245494239 1036938694 /nfs/dbraw/zinc/93/86/94/1036938694.db2.gz PFFQJHMQGVMTGW-UHFFFAOYSA-N 1 0 382.467 3.578 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245524999 1036944198 /nfs/dbraw/zinc/94/41/98/1036944198.db2.gz YBPJQGUZEOGNMR-SFHVURJKSA-N 1 0 378.476 3.559 20 30 GHEDRO C[C@@H](NC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001245543161 1036949250 /nfs/dbraw/zinc/94/92/50/1036949250.db2.gz WDCQQTCDUVXNLG-QGZVFWFLSA-N 1 0 378.545 3.748 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001245914517 1037054540 /nfs/dbraw/zinc/05/45/40/1037054540.db2.gz MBRBMPCGRWWTBC-VQTJNVASSA-N 1 0 376.529 3.709 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC1CCC(C#N)(c2ccccc2)CC1 ZINC001246204695 1037237417 /nfs/dbraw/zinc/23/74/17/1037237417.db2.gz YJKFPJIVEGGJKP-KQVJYAISSA-N 1 0 385.552 3.819 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001462219305 1070094525 /nfs/dbraw/zinc/09/45/25/1070094525.db2.gz JZKVEUXVGIRWNH-UHFFFAOYSA-N 1 0 378.513 3.845 20 30 GHEDRO COc1ccc([C@@H]([NH3+])Cc2nc(-c3ccc(C(C)(C)C)cc3C#N)no2)cn1 ZINC001247263000 1038040210 /nfs/dbraw/zinc/04/02/10/1038040210.db2.gz WPSAEXUXJPEDBX-KRWDZBQOSA-N 1 0 377.448 3.552 20 30 GHEDRO Cc1sc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)cc1Br ZINC001277679934 1038314884 /nfs/dbraw/zinc/31/48/84/1038314884.db2.gz SEHWXXKGWOQKNJ-HZPDHXFCSA-N 1 0 396.354 3.688 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(-n3cccn3)cc1Cl)CC2 ZINC001232596029 1038371108 /nfs/dbraw/zinc/37/11/08/1038371108.db2.gz GFQYTCBYUDAFDQ-UHFFFAOYSA-N 1 0 384.911 3.669 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnc(Br)cc3C)CC2)C1=O ZINC001277688043 1038386323 /nfs/dbraw/zinc/38/63/23/1038386323.db2.gz HKISEEOOXRMFPE-IBGZPJMESA-N 1 0 392.341 3.543 20 30 GHEDRO C[NH2+][C@@H](Cc1ccc(O)cc1)c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001247825982 1038410217 /nfs/dbraw/zinc/41/02/17/1038410217.db2.gz DFTKLWSLHLNKFM-INIZCTEOSA-N 1 0 399.248 3.580 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@H]4CCC5(CC[NH2+]CC5)N4)n3)cc2)cc1 ZINC001247861242 1038431758 /nfs/dbraw/zinc/43/17/58/1038431758.db2.gz PIRIKNQNWGUBIS-HXUWFJFHSA-N 1 0 385.471 3.822 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)n2)c(C#N)c1 ZINC001247881685 1038449521 /nfs/dbraw/zinc/44/95/21/1038449521.db2.gz FHHPDALXNDIDGG-OYHNWAKOSA-N 1 0 380.492 3.607 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc([C@@H]3CC4(CC[NH2+]CC4)c4ccccc4O3)n2)c1 ZINC001247893051 1038465347 /nfs/dbraw/zinc/46/53/47/1038465347.db2.gz CRJZNECRZUKGCY-IBGZPJMESA-N 1 0 390.418 3.892 20 30 GHEDRO COC(=O)c1cccc2c(C[N@@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)c[nH]c21 ZINC001232709947 1038509070 /nfs/dbraw/zinc/50/90/70/1038509070.db2.gz JGLUKBKUSLKIMA-GOSISDBHSA-N 1 0 389.455 3.870 20 30 GHEDRO Cc1c(Cl)nccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001232753378 1038535755 /nfs/dbraw/zinc/53/57/55/1038535755.db2.gz YEMJWONXOUADIT-NRFANRHFSA-N 1 0 380.879 3.544 20 30 GHEDRO N#Cc1ccc(C[N@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)s1 ZINC001232843656 1038594912 /nfs/dbraw/zinc/59/49/12/1038594912.db2.gz UCYLTWIPPTVMPS-IBGZPJMESA-N 1 0 399.491 3.626 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2CF)CC1 ZINC001232844126 1038595973 /nfs/dbraw/zinc/59/59/73/1038595973.db2.gz GDTZHSRLFSLWAN-XJKSGUPXSA-N 1 0 379.501 3.695 20 30 GHEDRO Cc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)c(C#N)c1 ZINC001232964925 1038738380 /nfs/dbraw/zinc/73/83/80/1038738380.db2.gz FPLZHHSPORJTRH-PMOQBDJRSA-N 1 0 379.504 3.571 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c(C#N)c1 ZINC001232965875 1038739737 /nfs/dbraw/zinc/73/97/37/1038739737.db2.gz IABXSQYINYIZTQ-DNQXCXABSA-N 1 0 391.515 3.850 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)NCc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC001252042043 1038826120 /nfs/dbraw/zinc/82/61/20/1038826120.db2.gz RSTIEBJPPVFRNW-INIZCTEOSA-N 1 0 396.438 3.741 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001252125377 1038871872 /nfs/dbraw/zinc/87/18/72/1038871872.db2.gz COGGVUIVUITDPL-MYDTUXCISA-N 1 0 397.600 3.773 20 30 GHEDRO CCCCCCCC[C@H](O)CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001252125761 1038872026 /nfs/dbraw/zinc/87/20/26/1038872026.db2.gz GLQPHPZVASHEPI-IBGZPJMESA-N 1 0 378.561 3.522 20 30 GHEDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(F)c1C#N ZINC001233099804 1038877972 /nfs/dbraw/zinc/87/79/72/1038877972.db2.gz VIFWBWAENQCRRU-INIZCTEOSA-N 1 0 390.503 3.595 20 30 GHEDRO COC[C@@H](C)N(Cc1cccc(OC)c1)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102085 1038880197 /nfs/dbraw/zinc/88/01/97/1038880197.db2.gz OEPHWELOBKARRG-MRXNPFEDSA-N 1 0 385.483 3.809 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001252129089 1038880839 /nfs/dbraw/zinc/88/08/39/1038880839.db2.gz WKSXBRPSSAULJS-ZCNNSNEGSA-N 1 0 378.582 3.863 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001252135459 1038888247 /nfs/dbraw/zinc/88/82/47/1038888247.db2.gz CUSYRPIZSRORBA-WCIQWLHISA-N 1 0 398.588 3.712 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CC1CCN(C(=O)c2ccccn2)CC1 ZINC001252139789 1038889303 /nfs/dbraw/zinc/88/93/03/1038889303.db2.gz SHJPAOZTGMJUKS-FQEVSTJZSA-N 1 0 375.557 3.635 20 30 GHEDRO C[C@H]1CCCCC[N@@H+]1C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252319533 1038941540 /nfs/dbraw/zinc/94/15/40/1038941540.db2.gz IBQRYGXPQPHFML-SCLBCKFNSA-N 1 0 383.414 3.531 20 30 GHEDRO C[C@](O)(C[NH+]1C2CCCC1CCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252325439 1038942464 /nfs/dbraw/zinc/94/24/64/1038942464.db2.gz VXSBINSNPCTZLA-RJYAGPCLSA-N 1 0 395.425 3.674 20 30 GHEDRO C=CC[N@H+](C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)C ZINC001252323710 1038942737 /nfs/dbraw/zinc/94/27/37/1038942737.db2.gz APLATHGZMAHGET-SFHVURJKSA-N 1 0 383.414 3.553 20 30 GHEDRO C[C@@H]([NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 ZINC001252339922 1038946284 /nfs/dbraw/zinc/94/62/84/1038946284.db2.gz LCOZDQBVFIJGFJ-YJYMSZOUSA-N 1 0 397.441 3.825 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]CC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252575335 1039037359 /nfs/dbraw/zinc/03/73/59/1039037359.db2.gz XZQVORZTBHSGLF-OAQYLSRUSA-N 1 0 392.515 3.621 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]CC1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583660 1039038576 /nfs/dbraw/zinc/03/85/76/1039038576.db2.gz PPVJJMIUNJSFOA-JOCHJYFZSA-N 1 0 388.552 3.773 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(CN(C(=O)c3ccco3)c3ccc(C)cc32)CC1 ZINC001252597683 1039043242 /nfs/dbraw/zinc/04/32/42/1039043242.db2.gz BYTSATUSBZWSAI-LJQANCHMSA-N 1 0 394.515 3.909 20 30 GHEDRO C=CCC[C@H](O)C[N@H+](C1CCOCC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252604814 1039043774 /nfs/dbraw/zinc/04/37/74/1039043774.db2.gz ZWXHBVZRVQPGKV-BJLQDIEVSA-N 1 0 396.572 3.630 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C[C@@H](O)c3ccc(F)cc3)cc(C#N)c21 ZINC001252864432 1039219555 /nfs/dbraw/zinc/21/95/55/1039219555.db2.gz GDTULRCWNJRNMT-SPLOXXLWSA-N 1 0 379.435 3.566 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cn3cccc(Cl)c3n1)C2 ZINC001233421171 1039285465 /nfs/dbraw/zinc/28/54/65/1039285465.db2.gz LVWSBUINASFDTM-AZUAARDMSA-N 1 0 375.900 3.561 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001252970575 1039304589 /nfs/dbraw/zinc/30/45/89/1039304589.db2.gz JOXVOHAHTNBIQS-GOTSBHOMSA-N 1 0 398.595 3.581 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(S(=O)(=O)CC)nc1 ZINC001252978665 1039307072 /nfs/dbraw/zinc/30/70/72/1039307072.db2.gz CVLDWDISLHBBSV-IBGZPJMESA-N 1 0 384.586 3.857 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001252986337 1039313751 /nfs/dbraw/zinc/31/37/51/1039313751.db2.gz UURABKBBQNNFPE-NRFANRHFSA-N 1 0 382.589 3.591 20 30 GHEDRO CCCCCCCCCC[C@H](O)CNC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001252986015 1039313875 /nfs/dbraw/zinc/31/38/75/1039313875.db2.gz JYNXCQXJKQECQR-SFHVURJKSA-N 1 0 382.570 3.687 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001252986910 1039314367 /nfs/dbraw/zinc/31/43/67/1039314367.db2.gz YERBPFWARCGXHE-XSDIEEQYSA-N 1 0 393.572 3.902 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC[N@@H+]3CCC[C@H]3C2)c1=S ZINC001253087764 1039415129 /nfs/dbraw/zinc/41/51/29/1039415129.db2.gz ZPDNOPSZPASIQZ-SFHVURJKSA-N 1 0 383.565 3.703 20 30 GHEDRO C=CCCCCCC[C@H](O)CNc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(C)[nH+]1 ZINC001253232739 1039486544 /nfs/dbraw/zinc/48/65/44/1039486544.db2.gz SDZVZMDVLRRVJA-LMMKCTJWSA-N 1 0 376.545 3.698 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001253234420 1039488206 /nfs/dbraw/zinc/48/82/06/1039488206.db2.gz AYSRFIIDGLOJSR-IFMALSPDSA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001253235150 1039489347 /nfs/dbraw/zinc/48/93/47/1039489347.db2.gz IAEGWESQAAYHDI-UFYCRDLUSA-N 1 0 396.572 3.584 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@]2(CCN(C)C2=O)C1 ZINC001253237015 1039492479 /nfs/dbraw/zinc/49/24/79/1039492479.db2.gz HNDFQXLGCJHWPS-AKFKNWHVSA-N 1 0 384.564 3.822 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001253236998 1039492796 /nfs/dbraw/zinc/49/27/96/1039492796.db2.gz HGJVXZKFOUBKEJ-NRFANRHFSA-N 1 0 387.568 3.640 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001253237727 1039493215 /nfs/dbraw/zinc/49/32/15/1039493215.db2.gz MJHYSDPHRXVIDA-IFMALSPDSA-N 1 0 375.557 3.629 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001253237922 1039494662 /nfs/dbraw/zinc/49/46/62/1039494662.db2.gz OQMKVKFSGWWKBG-MLDBQTBOSA-N 1 0 388.552 3.970 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001233702117 1039550609 /nfs/dbraw/zinc/55/06/09/1039550609.db2.gz ABFMPGLOYQIOIC-QFIPXVFZSA-N 1 0 391.467 3.872 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Nc2ccccc2)CC1 ZINC001253419180 1039615703 /nfs/dbraw/zinc/61/57/03/1039615703.db2.gz QGCMFDDRERVEOB-FVRICEFQSA-N 1 0 382.552 3.882 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 ZINC001253434352 1039636467 /nfs/dbraw/zinc/63/64/67/1039636467.db2.gz UREWFACBMITYIY-KKSFZXQISA-N 1 0 380.488 3.724 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001233877228 1039678895 /nfs/dbraw/zinc/67/88/95/1039678895.db2.gz XUPDJCWXNVADCO-CQSZACIVSA-N 1 0 395.347 3.563 20 30 GHEDRO C=C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(Cl)ccc1N2C(=O)OC(C)(C)C ZINC001253590535 1039713208 /nfs/dbraw/zinc/71/32/08/1039713208.db2.gz VRLXTSFFSIUKLH-QILLFSRXSA-N 1 0 378.900 3.800 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2c1cccc2C ZINC001253602177 1039716600 /nfs/dbraw/zinc/71/66/00/1039716600.db2.gz DIZDDQAKMKDTMG-MJGOQNOKSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@H](O)C[NH2+]C1(c2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253605877 1039718766 /nfs/dbraw/zinc/71/87/66/1039718766.db2.gz ACIQVUAKEGMXNL-HNNXBMFYSA-N 1 0 380.916 3.703 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610664 1039719738 /nfs/dbraw/zinc/71/97/38/1039719738.db2.gz VHGLYPBVJVLJRW-RTBURBONSA-N 1 0 378.488 3.650 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610700 1039719878 /nfs/dbraw/zinc/71/98/78/1039719878.db2.gz VYTGQJTZKJJAGZ-RTBURBONSA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCn1cccn1 ZINC001253614549 1039725812 /nfs/dbraw/zinc/72/58/12/1039725812.db2.gz QJYQDUYSOMORAP-JOCHJYFZSA-N 1 0 397.604 3.788 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC[C@H](C)O ZINC001253616774 1039728162 /nfs/dbraw/zinc/72/81/62/1039728162.db2.gz IFUYISMIGCRRIK-LEWJYISDSA-N 1 0 375.594 3.662 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c[nH]c(=O)c4ccccc34)CC2)C1 ZINC001233965567 1039732727 /nfs/dbraw/zinc/73/27/27/1039732727.db2.gz YEEZLDOSQLJAFU-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO CCOC(=O)[C@]12CCC[C@@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC001462400280 1070228264 /nfs/dbraw/zinc/22/82/64/1070228264.db2.gz ZYSPDGYIRSNMPL-BKULYWANSA-N 1 0 395.547 3.624 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(Cl)nccc1N(C)C)[C@@H]2CC ZINC001234114232 1039854901 /nfs/dbraw/zinc/85/49/01/1039854901.db2.gz QXDJJURAMAEJRT-NQIIRXRSSA-N 1 0 390.959 3.723 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)C1 ZINC001462414235 1070236836 /nfs/dbraw/zinc/23/68/36/1070236836.db2.gz OTDIEXGBAFJWDM-RBUKOAKNSA-N 1 0 390.572 3.700 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1=O ZINC001254257359 1040104333 /nfs/dbraw/zinc/10/43/33/1040104333.db2.gz SLCHCIAWIGKSTP-LJQANCHMSA-N 1 0 383.492 3.664 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+](Cc1c(O)ccc3ccc(OC)cc31)CC2 ZINC001234536007 1040108739 /nfs/dbraw/zinc/10/87/39/1040108739.db2.gz JVBRUNYNPGQVJC-UHFFFAOYSA-N 1 0 393.487 3.548 20 30 GHEDRO C=CCc1cc(OC)c(OC)cc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001234551322 1040120812 /nfs/dbraw/zinc/12/08/12/1040120812.db2.gz BIYNCCWLDQSNLS-HXUWFJFHSA-N 1 0 383.488 3.712 20 30 GHEDRO COC(=O)C[C@@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1ccccn1 ZINC001254348983 1040182099 /nfs/dbraw/zinc/18/20/99/1040182099.db2.gz FUSTZXCMYGDOCN-AATLZSDMSA-N 1 0 381.451 3.819 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(n2nnc(-c3cccc(C[NH3+])c3)n2)CC1 ZINC001254347962 1040182172 /nfs/dbraw/zinc/18/21/72/1040182172.db2.gz WKQLGMPVUJAKRG-UHFFFAOYSA-N 1 0 376.439 3.515 20 30 GHEDRO COC(=O)c1cnc2c(c1)C[N@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)CC2 ZINC001254360543 1040192513 /nfs/dbraw/zinc/19/25/13/1040192513.db2.gz BZGYDICHWNYBNQ-UHFFFAOYSA-N 1 0 393.462 3.770 20 30 GHEDRO O=C1C=C[C@H](Oc2cccc3c2[C@@]24CC[N@H+](CC5CC5)[C@@H](C3)[C@@H]2CCC(=O)C4)C1 ZINC001234708551 1040240160 /nfs/dbraw/zinc/24/01/60/1040240160.db2.gz OWRFCCSQWMKUHB-DEJKCJRPSA-N 1 0 391.511 3.610 20 30 GHEDRO CC[C@@]1(C)c2cc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc2N(C)C1=O ZINC001234708320 1040240195 /nfs/dbraw/zinc/24/01/95/1040240195.db2.gz YBTFBHHWKGSORF-YKSBVNFPSA-N 1 0 389.499 3.856 20 30 GHEDRO COc1cc(O[C@H](CC#N)C[N+](C)(C)C)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001234788410 1040319949 /nfs/dbraw/zinc/31/99/49/1040319949.db2.gz DXXBOWXYWWJFGS-HXUWFJFHSA-O 1 0 395.479 3.664 20 30 GHEDRO Cc1cc(I)cc(Cl)c1O[C@H](CC#N)C[N+](C)(C)C ZINC001234861508 1040375206 /nfs/dbraw/zinc/37/52/06/1040375206.db2.gz AAASDVZNLBPZLR-GFCCVEGCSA-N 1 0 393.676 3.620 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)c2ccc(O[C@H](C#N)c3ccccc3F)cc2)CC1 ZINC001234900017 1040412343 /nfs/dbraw/zinc/41/23/43/1040412343.db2.gz CRWVUPNASUBDBD-OAQYLSRUSA-N 1 0 381.451 3.636 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(c2ncccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254638179 1040412985 /nfs/dbraw/zinc/41/29/85/1040412985.db2.gz XKMAYYFYINIWQB-VQIMIIECSA-N 1 0 384.524 3.978 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 ZINC001254639631 1040414435 /nfs/dbraw/zinc/41/44/35/1040414435.db2.gz WSSIJZOKKWHNIT-DHIUTWEWSA-N 1 0 375.516 3.740 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001234904112 1040420688 /nfs/dbraw/zinc/42/06/88/1040420688.db2.gz XZDBHYXEWHUXKU-OAQYLSRUSA-N 1 0 387.483 3.587 20 30 GHEDRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)Oc2ccccc21 ZINC001254662215 1040425509 /nfs/dbraw/zinc/42/55/09/1040425509.db2.gz DBLWEQRDXKBJMM-IPMKNSEASA-N 1 0 381.520 3.558 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C13CCC(C#N)(CC1)CC3)CS2 ZINC001254686306 1040442897 /nfs/dbraw/zinc/44/28/97/1040442897.db2.gz GGFIJAXLCNOZOB-MNNVXMFVSA-N 1 0 377.554 3.688 20 30 GHEDRO COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC001462501617 1070305527 /nfs/dbraw/zinc/30/55/27/1070305527.db2.gz AHOVWOMRVQZILA-FPVCRCAZSA-N 1 0 375.516 3.945 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CCC(C(=O)OCC)CC3)C2)CC1 ZINC001255257777 1040929439 /nfs/dbraw/zinc/92/94/39/1040929439.db2.gz ALHCKULJFBCORS-UHFFFAOYSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(F)c(F)c(OC)c3)C2)CC1 ZINC001235431020 1040932600 /nfs/dbraw/zinc/93/26/00/1040932600.db2.gz FDROZQVPAGDTGZ-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)cc(C)cc3Br)C2)C1=O ZINC001235456196 1040946558 /nfs/dbraw/zinc/94/65/58/1040946558.db2.gz SNDPSPZGVPWQQB-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C1)COCC[N@H+](Cc1ccccc1CC#N)C2 ZINC001235514158 1040970188 /nfs/dbraw/zinc/97/01/88/1040970188.db2.gz IILKAMQAQNTJJI-QHCPKHFHSA-N 1 0 399.535 3.602 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001235513947 1040970546 /nfs/dbraw/zinc/97/05/46/1040970546.db2.gz MQHMHJRULNBVGO-JTHBVZDNSA-N 1 0 377.488 3.598 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001235517140 1040972202 /nfs/dbraw/zinc/97/22/02/1040972202.db2.gz JLKUWDXTIFQPID-BJKOFHAPSA-N 1 0 391.515 3.736 20 30 GHEDRO CN1CC[C@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001255419250 1041013371 /nfs/dbraw/zinc/01/33/71/1041013371.db2.gz ABMDFWFDPZKLSE-ZDUSSCGKSA-N 1 0 385.514 3.591 20 30 GHEDRO N#Cc1ccc(CCCN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)cc1 ZINC001235796658 1041296506 /nfs/dbraw/zinc/29/65/06/1041296506.db2.gz UHVDRHQGUKRXLE-HXUWFJFHSA-N 1 0 384.321 3.900 20 30 GHEDRO CC(C)(C)OC(=O)NCC[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001235970957 1041476186 /nfs/dbraw/zinc/47/61/86/1041476186.db2.gz XPJWXENZMQYLOX-UHFFFAOYSA-N 1 0 379.888 3.580 20 30 GHEDRO COc1ccc(C2=NO[C@@H](C[NH2+]C3CC(C#N)(c4ccccc4)C3)C2)cc1F ZINC001462545587 1070348200 /nfs/dbraw/zinc/34/82/00/1070348200.db2.gz HKBKJQHTVTYEAQ-WUZYXKQASA-N 1 0 379.435 3.541 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@]23CC[C@@](NC(=O)Cc4ccsc4)(C2)CCC3)s1 ZINC001278925546 1041682980 /nfs/dbraw/zinc/68/29/80/1041682980.db2.gz FBMWTHMPLVTGOF-VQTJNVASSA-N 1 0 385.558 3.975 20 30 GHEDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC001236861503 1041932507 /nfs/dbraw/zinc/93/25/07/1041932507.db2.gz SXQOEIWNFXONSE-DZGCQCFKSA-N 1 0 379.298 3.732 20 30 GHEDRO C[NH+]1CCN(c2ccc(CN3CCC(C#N)(c4ccccc4)CC3)c(F)c2)CC1 ZINC001236933162 1041964271 /nfs/dbraw/zinc/96/42/71/1041964271.db2.gz WEVKDDSGFUSSQD-UHFFFAOYSA-N 1 0 392.522 3.635 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccnc4c(OC)cccc34)C2)C1 ZINC001237113267 1042045601 /nfs/dbraw/zinc/04/56/01/1042045601.db2.gz IINPNRNRDGOUDM-QHCPKHFHSA-N 1 0 395.503 3.854 20 30 GHEDRO Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001237320983 1042146039 /nfs/dbraw/zinc/14/60/39/1042146039.db2.gz UDQGKXZUOJJFTF-QHCPKHFHSA-N 1 0 377.463 3.943 20 30 GHEDRO COc1cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)ccc1C#N ZINC001278088264 1042170174 /nfs/dbraw/zinc/17/01/74/1042170174.db2.gz VOKVKLBHHBKSBS-BZSNNMDCSA-N 1 0 377.488 3.690 20 30 GHEDRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@H+](Cc3ccnc(C#N)c3)C[C@H]21 ZINC001237461265 1042218171 /nfs/dbraw/zinc/21/81/71/1042218171.db2.gz BDPJFEOXJNCKSA-LEWJYISDSA-N 1 0 390.487 3.672 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237465693 1042219442 /nfs/dbraw/zinc/21/94/42/1042219442.db2.gz JZNARQATYMMAMI-QGZVFWFLSA-N 1 0 376.479 3.895 20 30 GHEDRO Cn1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237468101 1042220445 /nfs/dbraw/zinc/22/04/45/1042220445.db2.gz LFDSAEXQEWRJNY-GOSISDBHSA-N 1 0 382.508 3.881 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c2cc(C#N)ccc21 ZINC001237471211 1042223026 /nfs/dbraw/zinc/22/30/26/1042223026.db2.gz CIISFNJNWFKQTF-HXUWFJFHSA-N 1 0 384.483 3.670 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237473111 1042223718 /nfs/dbraw/zinc/22/37/18/1042223718.db2.gz FEJXHMIHLFRVCO-YJBOKZPZSA-N 1 0 382.508 3.785 20 30 GHEDRO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c2cc(C#N)ccc21 ZINC001237473538 1042224473 /nfs/dbraw/zinc/22/44/73/1042224473.db2.gz NCCHAMRYEOWBMK-UPHUGPLXSA-N 1 0 394.519 3.785 20 30 GHEDRO COc1c(C)cccc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001237506363 1042241656 /nfs/dbraw/zinc/24/16/56/1042241656.db2.gz XDJLVGMKYHAYRQ-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(C3CC3)cnc1OC)CC2 ZINC001238032504 1042467297 /nfs/dbraw/zinc/46/72/97/1042467297.db2.gz KENHATRZVNDBBO-UHFFFAOYSA-N 1 0 399.535 3.968 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(Cl)c1 ZINC001238082093 1042485506 /nfs/dbraw/zinc/48/55/06/1042485506.db2.gz HMAQLAPUFZONFL-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1ccc(CN2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(Cl)c1 ZINC001238083909 1042486114 /nfs/dbraw/zinc/48/61/14/1042486114.db2.gz DDJDGSOORWVHHT-MRXNPFEDSA-N 1 0 383.854 3.971 20 30 GHEDRO COc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)c(C#N)c3)CC2)c1 ZINC001238195765 1042515889 /nfs/dbraw/zinc/51/58/89/1042515889.db2.gz LFLMINDLBVLCRR-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccc(F)c1OC(C)C)CC2 ZINC001238333836 1042559595 /nfs/dbraw/zinc/55/95/95/1042559595.db2.gz XBCIJFGINALBLG-UHFFFAOYSA-N 1 0 376.472 3.833 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC001238410716 1042587305 /nfs/dbraw/zinc/58/73/05/1042587305.db2.gz SWDWYDTWURMCGZ-QFIPXVFZSA-N 1 0 385.508 3.932 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cncc(OC(C)C)c1)CC2 ZINC001238463411 1042604403 /nfs/dbraw/zinc/60/44/03/1042604403.db2.gz WPKMDXZXPAVKTK-UHFFFAOYSA-N 1 0 387.524 3.869 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(F)cc(C)cc3OC)C2)C1 ZINC001238581828 1042646298 /nfs/dbraw/zinc/64/62/98/1042646298.db2.gz CICUBSAVTBPAHQ-NRFANRHFSA-N 1 0 376.472 3.753 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(F)c(OC(C)C)c1)[C@H]2CC ZINC001238595554 1042651821 /nfs/dbraw/zinc/65/18/21/1042651821.db2.gz WKSJWORYPJGKDA-UGKGYDQZSA-N 1 0 389.515 3.930 20 30 GHEDRO CC(C)Oc1c(CN2CCCN(c3ccc(C#N)cn3)CC2)ccc(F)c1F ZINC001238750218 1042713046 /nfs/dbraw/zinc/71/30/46/1042713046.db2.gz LEPKMXDDUCHVLO-UHFFFAOYSA-N 1 0 386.446 3.731 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)ccc1C#N ZINC001238761041 1042717665 /nfs/dbraw/zinc/71/76/65/1042717665.db2.gz RQCPAFLUBQTAFI-DEOSSOPVSA-N 1 0 391.490 3.884 20 30 GHEDRO CCc1cc(C[N@@H+]2CCc3nc(C(=O)N(CC)CC)sc3CC2)ccc1C#N ZINC001238760839 1042717836 /nfs/dbraw/zinc/71/78/36/1042717836.db2.gz QMCRWQSTMNGIMH-UHFFFAOYSA-N 1 0 396.560 3.660 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)ccc1C#N ZINC001238776826 1042724109 /nfs/dbraw/zinc/72/41/09/1042724109.db2.gz WHAGTYPCSTYACF-QFIPXVFZSA-N 1 0 394.544 3.510 20 30 GHEDRO N#Cc1ccc(CS(=O)(=O)N(CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001239165573 1042777853 /nfs/dbraw/zinc/77/78/53/1042777853.db2.gz KXWVSHJSAABCLY-MEMLXQNLSA-N 1 0 389.565 3.540 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccnc2N2CC[NH2+]CC2)c1 ZINC001239183336 1042781736 /nfs/dbraw/zinc/78/17/36/1042781736.db2.gz XBQDLMBAWYLOKB-UHFFFAOYSA-N 1 0 379.508 3.581 20 30 GHEDRO CCCCCCCCOC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239336206 1042809666 /nfs/dbraw/zinc/80/96/66/1042809666.db2.gz JMYRCADCEPSOAC-UHFFFAOYSA-N 1 0 397.604 3.507 20 30 GHEDRO C=CCCCNC(=S)NCC1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001239392991 1042821609 /nfs/dbraw/zinc/82/16/09/1042821609.db2.gz XHHNXVSEMARWMX-UHFFFAOYSA-N 1 0 385.499 3.757 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@@]3(CCCC[NH2+]3)C2)c(Br)c1 ZINC001239419673 1042825319 /nfs/dbraw/zinc/82/53/19/1042825319.db2.gz KPDPLSKAXWZDJC-KRWDZBQOSA-N 1 0 393.354 3.626 20 30 GHEDRO N#Cc1cc(-c2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc(C2C[NH2+]C2)c1 ZINC001240346514 1042922340 /nfs/dbraw/zinc/92/23/40/1042922340.db2.gz PRJGIXVHWCCSOZ-UHFFFAOYSA-N 1 0 381.361 3.783 20 30 GHEDRO N#Cc1cc(-c2ccc(S(=O)(=O)c3ccccc3F)cc2)cc(C2C[NH2+]C2)c1 ZINC001240355115 1042922798 /nfs/dbraw/zinc/92/27/98/1042922798.db2.gz BGDYZAPFYAFEKZ-UHFFFAOYSA-N 1 0 392.455 3.884 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3ncc(F)c(Oc4ccc(C#N)cc4)n3)cc2)CC1 ZINC001240851449 1042958956 /nfs/dbraw/zinc/95/89/56/1042958956.db2.gz GIEPKSKORQMNJX-UHFFFAOYSA-N 1 0 389.434 3.698 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1C)C(C)C ZINC001291131876 1043099047 /nfs/dbraw/zinc/09/90/47/1043099047.db2.gz LFSQTYXEWPEVNF-GOSISDBHSA-N 1 0 380.540 3.924 20 30 GHEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001291218204 1043158386 /nfs/dbraw/zinc/15/83/86/1043158386.db2.gz OZEKREMLPTUECO-RTBURBONSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291480999 1043295723 /nfs/dbraw/zinc/29/57/23/1043295723.db2.gz NLKLQKHEIWXWEL-DOTOQJQBSA-N 1 0 386.569 3.896 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256540583 1043491378 /nfs/dbraw/zinc/49/13/78/1043491378.db2.gz GOLVQZKMCZPQQX-FPOVZHCZSA-N 1 0 394.563 3.534 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC001256585255 1043553243 /nfs/dbraw/zinc/55/32/43/1043553243.db2.gz PGKPAYXUTUFEAK-INIZCTEOSA-N 1 0 398.732 3.514 20 30 GHEDRO C[C@H](Cc1ccncc1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001256742242 1043644775 /nfs/dbraw/zinc/64/47/75/1043644775.db2.gz MDSPFMJBMAWWOC-YKSBVNFPSA-N 1 0 390.531 3.503 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN([C@H]3CCC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001256911327 1043737893 /nfs/dbraw/zinc/73/78/93/1043737893.db2.gz LSNPZNQJHREYCR-RBBKRZOGSA-N 1 0 375.557 3.504 20 30 GHEDRO N#CC1CCC([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CC1 ZINC001256962580 1043774204 /nfs/dbraw/zinc/77/42/04/1043774204.db2.gz POFMEVXYRIQNDT-UHFFFAOYSA-N 1 0 380.941 3.502 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCN(C2CC[NH+](C3CCC(C#N)CC3)CC2)CC1 ZINC001256971130 1043777866 /nfs/dbraw/zinc/77/78/66/1043777866.db2.gz JTNGVFQLEZTFQH-UHFFFAOYSA-N 1 0 390.572 3.522 20 30 GHEDRO CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C1CCC(C#N)CC1 ZINC001256971983 1043778323 /nfs/dbraw/zinc/77/83/23/1043778323.db2.gz PSNLVLCYTZEMIE-KVWWFHCMSA-N 1 0 386.492 3.639 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(O)(CC[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257009995 1043797375 /nfs/dbraw/zinc/79/73/75/1043797375.db2.gz SCBXFPOSQZKAPG-UHFFFAOYSA-N 1 0 399.535 3.546 20 30 GHEDRO CN1c2cc(C[NH2+]C3CCC(c4ccc(C#N)cc4)CC3)ccc2OCC1=O ZINC001257014381 1043799212 /nfs/dbraw/zinc/79/92/12/1043799212.db2.gz AUBJLMJIGHZBKS-UHFFFAOYSA-N 1 0 375.472 3.729 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]CC3CCN(c4ccncn4)CC3)CC2)cc1 ZINC001257014027 1043799272 /nfs/dbraw/zinc/79/92/72/1043799272.db2.gz MFQBKXFJYBFUCT-UHFFFAOYSA-N 1 0 375.520 3.881 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCN(C(=O)Cc4ccccc4)CC3)CC2)cc1 ZINC001257018917 1043803336 /nfs/dbraw/zinc/80/33/36/1043803336.db2.gz HKPWOHGVNHVFSJ-UHFFFAOYSA-N 1 0 387.527 3.971 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCN(c4ccc(Cl)nn4)CC3)CC2)cc1 ZINC001257019310 1043803698 /nfs/dbraw/zinc/80/36/98/1043803698.db2.gz NMEQLFDIQUKJTF-UHFFFAOYSA-N 1 0 381.911 3.850 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001292632805 1043811404 /nfs/dbraw/zinc/81/14/04/1043811404.db2.gz SLIGDLWZIGBLIB-QFIPXVFZSA-N 1 0 397.950 3.691 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](C)Cc1ccc(C(=O)OCC)cc1)CC2 ZINC001257161978 1043907813 /nfs/dbraw/zinc/90/78/13/1043907813.db2.gz JDHYKDKZMUDUDQ-YADARESESA-N 1 0 398.547 3.827 20 30 GHEDRO CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[NH+]1CCCCCC1 ZINC001292878460 1043927238 /nfs/dbraw/zinc/92/72/38/1043927238.db2.gz DIYIHRDEFHTGOC-UHFFFAOYSA-N 1 0 392.551 3.757 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001292880831 1043928111 /nfs/dbraw/zinc/92/81/11/1043928111.db2.gz LXOOZBDMICQKHE-FPOVZHCZSA-N 1 0 381.907 3.976 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(Br)ccc1OC)C(C)C ZINC001292957977 1043965394 /nfs/dbraw/zinc/96/53/94/1043965394.db2.gz QPMVYJXNTQIJKK-QGZVFWFLSA-N 1 0 395.341 3.886 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C2 ZINC001257652822 1044101336 /nfs/dbraw/zinc/10/13/36/1044101336.db2.gz SZLOAAPVYYYXPM-WEMPKCCASA-N 1 0 394.556 3.601 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC4(C3)CCN(C(=O)c3cnccn3)CC4)C[C@H](C1)C2 ZINC001257892129 1044247543 /nfs/dbraw/zinc/24/75/43/1044247543.db2.gz UCHYLNXLLNUWDR-YOFSQIOKSA-N 1 0 380.536 3.540 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4C(=O)N(c5ccsc5)CCO[C@H]4C3)C[C@H](C1)C2 ZINC001257893695 1044249418 /nfs/dbraw/zinc/24/94/18/1044249418.db2.gz XVYOAVWKCGWFLI-QGOMYJLZSA-N 1 0 386.561 3.937 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCN(c4nc(C(=O)OCC)cs4)CC3)C[C@H](C1)C2 ZINC001257895536 1044250079 /nfs/dbraw/zinc/25/00/79/1044250079.db2.gz SOQBVBIXMUJVDJ-SJPCQFCGSA-N 1 0 375.538 3.577 20 30 GHEDRO CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001293683223 1044293332 /nfs/dbraw/zinc/29/33/32/1044293332.db2.gz MLJMAVSSMYBWPG-SHTLVRLNSA-N 1 0 390.535 3.848 20 30 GHEDRO N#Cc1ccc(N2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c(F)c1 ZINC001258147995 1044437713 /nfs/dbraw/zinc/43/77/13/1044437713.db2.gz XRDWRJOZRLDABK-UHFFFAOYSA-N 1 0 392.522 3.526 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CC1(C)C ZINC001258564836 1044643614 /nfs/dbraw/zinc/64/36/14/1044643614.db2.gz PYIDZUVGPLCDGP-FQEVSTJZSA-N 1 0 398.551 3.858 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC001258566129 1044645487 /nfs/dbraw/zinc/64/54/87/1044645487.db2.gz ATIZRBBDSSANQX-SJORKVTESA-N 1 0 395.544 3.541 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001258714707 1044732581 /nfs/dbraw/zinc/73/25/81/1044732581.db2.gz USKLPPBPQBCSLM-NRFANRHFSA-N 1 0 386.646 3.956 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001258714184 1044732994 /nfs/dbraw/zinc/73/29/94/1044732994.db2.gz KIXHJBIQMNPNCG-FGZHOGPDSA-N 1 0 382.589 3.711 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H]1C ZINC001295366514 1044990281 /nfs/dbraw/zinc/99/02/81/1044990281.db2.gz ULYFKZLWRFASHT-RCCFBDPRSA-N 1 0 380.540 3.782 20 30 GHEDRO CC[NH+](CC)Cc1cccc(Cn2c(C(C)C)nnc2N(C)C[C@@H](C)C#N)c1 ZINC001295493909 1045033892 /nfs/dbraw/zinc/03/38/92/1045033892.db2.gz WBLZDRABPQYMRU-SFHVURJKSA-N 1 0 382.556 3.887 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C#N)CC1)C1CCCCC1 ZINC001298030952 1045682073 /nfs/dbraw/zinc/68/20/73/1045682073.db2.gz TZNJMAZESSNXEC-HXUWFJFHSA-N 1 0 395.555 3.524 20 30 GHEDRO C[NH+](C)CCOc1cccc(CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)c1 ZINC001261794549 1046095955 /nfs/dbraw/zinc/09/59/55/1046095955.db2.gz TXRCHAIEVIBDFT-UHFFFAOYSA-N 1 0 391.515 3.627 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300801054 1046169178 /nfs/dbraw/zinc/16/91/78/1046169178.db2.gz GUHOPRCFNHBOTF-IUKKYPGJSA-N 1 0 383.584 3.904 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001301078116 1046323288 /nfs/dbraw/zinc/32/32/88/1046323288.db2.gz LAKMPCHNPIIUCE-SFHVURJKSA-N 1 0 394.548 3.861 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301086009 1046329121 /nfs/dbraw/zinc/32/91/21/1046329121.db2.gz RZELEFXYYWPUBY-RTWAWAEBSA-N 1 0 395.551 3.550 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001301087774 1046331526 /nfs/dbraw/zinc/33/15/26/1046331526.db2.gz UJKOHITTZQOABO-UHFFFAOYSA-N 1 0 397.567 3.764 20 30 GHEDRO C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001301177280 1046389257 /nfs/dbraw/zinc/38/92/57/1046389257.db2.gz XARQYLIJMWQPTP-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262969736 1046458988 /nfs/dbraw/zinc/45/89/88/1046458988.db2.gz POIUUVJXYDFWPH-RTBURBONSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001301310559 1046473725 /nfs/dbraw/zinc/47/37/25/1046473725.db2.gz RGNUHRGRPFQGGM-NHCUHLMSSA-N 1 0 395.551 3.589 20 30 GHEDRO C=CCN(c1nnc(C(C)(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001301312521 1046475990 /nfs/dbraw/zinc/47/59/90/1046475990.db2.gz FTWVMEGVDPLFQY-CALCHBBNSA-N 1 0 389.588 3.618 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)[NH+](C)C ZINC001301334852 1046499065 /nfs/dbraw/zinc/49/90/65/1046499065.db2.gz PYMNSPBUMUJVFR-QGZVFWFLSA-N 1 0 385.556 3.727 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001301384388 1046519599 /nfs/dbraw/zinc/51/95/99/1046519599.db2.gz VOPWBJZXMUKSSS-UHFFFAOYSA-N 1 0 378.524 3.686 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001301384574 1046519734 /nfs/dbraw/zinc/51/97/34/1046519734.db2.gz YIZXRPWGEURQLN-OAQYLSRUSA-N 1 0 377.536 3.999 20 30 GHEDRO C=CCN(CCOC)c1nnc(C(C)C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001301417008 1046534118 /nfs/dbraw/zinc/53/41/18/1046534118.db2.gz LTYNJCRARXKFDT-WIYYLYMNSA-N 1 0 377.577 3.551 20 30 GHEDRO C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC001301518628 1046575625 /nfs/dbraw/zinc/57/56/25/1046575625.db2.gz LYSDDJFHPZPSMP-OALUTQOASA-N 1 0 397.567 3.935 20 30 GHEDRO C=CCSCCn1c(CC(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001301611441 1046622992 /nfs/dbraw/zinc/62/29/92/1046622992.db2.gz MOSJYSIRXBPSAE-IBGZPJMESA-N 1 0 391.629 3.708 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CC=C(COC)CC1 ZINC001263300824 1046698024 /nfs/dbraw/zinc/69/80/24/1046698024.db2.gz ARQDPHNVUNNKQY-LJQANCHMSA-N 1 0 395.551 3.830 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001301953543 1046759652 /nfs/dbraw/zinc/75/96/52/1046759652.db2.gz SSFOOALHWCXVHE-IAGOWNOFSA-N 1 0 384.528 3.602 20 30 GHEDRO CC(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C#N)[NH+]1CCCC1 ZINC001301958324 1046760917 /nfs/dbraw/zinc/76/09/17/1046760917.db2.gz BAYJZCNNOKJHKX-FXAWDEMLSA-N 1 0 398.530 3.800 20 30 GHEDRO CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CC[NH+]1CCCCCC1 ZINC001302126455 1046828502 /nfs/dbraw/zinc/82/85/02/1046828502.db2.gz BOJSQHPFEHECTG-UHFFFAOYSA-N 1 0 386.588 3.873 20 30 GHEDRO CC(C)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001302598111 1046997453 /nfs/dbraw/zinc/99/74/53/1046997453.db2.gz JRBIIXHAQUNQJJ-KRWDZBQOSA-N 1 0 386.569 3.896 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCC1 ZINC001302735557 1047075891 /nfs/dbraw/zinc/07/58/91/1047075891.db2.gz CGJCKVFSGUYHCE-OAQYLSRUSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@H]3C[C@H]3C#N)n2CC2CC2)CC1)CC1CC1 ZINC001263740213 1047082641 /nfs/dbraw/zinc/08/26/41/1047082641.db2.gz LTVHZMHZGODOIW-SFTDATJTSA-N 1 0 396.583 3.654 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(C(C)(C)C#N)n2CC2CC2)C1 ZINC001263742245 1047084210 /nfs/dbraw/zinc/08/42/10/1047084210.db2.gz MRAOQWVHWOIYOB-IEBWSBKVSA-N 1 0 384.572 3.580 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(CC#N)c3)n2CC2CC2)C1 ZINC001263754885 1047094384 /nfs/dbraw/zinc/09/43/84/1047094384.db2.gz ZLEPOJSYOBNNGG-HXUWFJFHSA-N 1 0 392.551 3.589 20 30 GHEDRO CC(C)C[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001302820722 1047124095 /nfs/dbraw/zinc/12/40/95/1047124095.db2.gz FVMOWMZSQNAQBK-OAQYLSRUSA-N 1 0 394.567 3.715 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302887861 1047169502 /nfs/dbraw/zinc/16/95/02/1047169502.db2.gz WZBJDQPMZAESQD-HXUWFJFHSA-N 1 0 386.588 3.727 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001264729765 1047420557 /nfs/dbraw/zinc/42/05/57/1047420557.db2.gz FCQOMAZGWXMRTH-UHFFFAOYSA-N 1 0 390.531 3.887 20 30 GHEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001264988175 1047535087 /nfs/dbraw/zinc/53/50/87/1047535087.db2.gz BVRBLHFTJMWGIZ-OIBXWCBGSA-N 1 0 399.579 3.926 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000599526851 1047538593 /nfs/dbraw/zinc/53/85/93/1047538593.db2.gz VBQBLDYWOMAUAK-GDBMZVCRSA-N 1 0 381.339 3.670 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001305007272 1047834791 /nfs/dbraw/zinc/83/47/91/1047834791.db2.gz DHARVKBPZCGSSD-QZTJIDSGSA-N 1 0 392.551 3.926 20 30 GHEDRO CCCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1nccn1C ZINC001279871162 1047974534 /nfs/dbraw/zinc/97/45/34/1047974534.db2.gz QKYGUUCRFUBHAM-QGZVFWFLSA-N 1 0 378.586 3.917 20 30 GHEDRO CCCc1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NC2(C#N)CCC2)s1 ZINC001279952703 1048004453 /nfs/dbraw/zinc/00/44/53/1048004453.db2.gz QYJIIJQBSSUNHR-QGZVFWFLSA-N 1 0 389.590 3.571 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[N@H+]1CC=CCC1 ZINC001305382944 1048004461 /nfs/dbraw/zinc/00/44/61/1048004461.db2.gz WOPHXDLFPRRQHY-GOSISDBHSA-N 1 0 378.524 3.562 20 30 GHEDRO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C3)CCC1 ZINC001280055190 1048066079 /nfs/dbraw/zinc/06/60/79/1048066079.db2.gz SLYPMHUFOLPAAP-FOIQADDNSA-N 1 0 392.330 3.810 20 30 GHEDRO CC(C)=CCC[C@H](C)C[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CC(CC#N)C1 ZINC001280246823 1048145853 /nfs/dbraw/zinc/14/58/53/1048145853.db2.gz CNSAGIPDQLYEMF-PKOBYXMFSA-N 1 0 375.582 3.548 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001286276410 1048247988 /nfs/dbraw/zinc/24/79/88/1048247988.db2.gz XLTIZVYSHROFMA-GOSISDBHSA-N 1 0 381.568 3.922 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286292785 1048258963 /nfs/dbraw/zinc/25/89/63/1048258963.db2.gz JTZFPJKLFKVJDM-JBACZVJFSA-N 1 0 399.583 3.775 20 30 GHEDRO C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001286339964 1048277911 /nfs/dbraw/zinc/27/79/11/1048277911.db2.gz RAOFPRUDQVCTON-LJQANCHMSA-N 1 0 395.551 3.535 20 30 GHEDRO C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286348768 1048281826 /nfs/dbraw/zinc/28/18/26/1048281826.db2.gz NXQGLCHXFTXLFP-UHFFFAOYSA-N 1 0 392.551 3.517 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2Cl)n1CCCCC[NH+]1CCCC1 ZINC001286371140 1048295011 /nfs/dbraw/zinc/29/50/11/1048295011.db2.gz FMKSPHKGGOYSDC-UHFFFAOYSA-N 1 0 385.943 3.934 20 30 GHEDRO CCc1ccc([C@@H](Cn2c(CC3CC3)nnc2N(C)[C@@H](C)CC#N)[NH+](C)C)cc1 ZINC001305915672 1048307243 /nfs/dbraw/zinc/30/72/43/1048307243.db2.gz BJVDVFGSTHLRQL-LAUBAEHRSA-N 1 0 394.567 3.834 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@H](CC)[NH+]1CCCC1 ZINC001286423998 1048314695 /nfs/dbraw/zinc/31/46/95/1048314695.db2.gz QMCXJLZLGRYERY-NRFANRHFSA-N 1 0 389.547 3.591 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001286517393 1048345376 /nfs/dbraw/zinc/34/53/76/1048345376.db2.gz QZTRJSPCZFZOIM-AUSIDOKSSA-N 1 0 379.552 3.914 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001286568720 1048367674 /nfs/dbraw/zinc/36/76/74/1048367674.db2.gz VXOJODNNPQCEEJ-RBUKOAKNSA-N 1 0 377.577 3.695 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC1CC[NH+](CCC)CC1 ZINC001286578641 1048371989 /nfs/dbraw/zinc/37/19/89/1048371989.db2.gz HAGMLELKUJQFFU-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=C1CCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001286647814 1048415015 /nfs/dbraw/zinc/41/50/15/1048415015.db2.gz DCNLYZJIJICMQO-HXUWFJFHSA-N 1 0 379.552 3.704 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286648670 1048416157 /nfs/dbraw/zinc/41/61/57/1048416157.db2.gz TZUDJYHCZHFGFZ-SFHVURJKSA-N 1 0 383.515 3.506 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286670877 1048435723 /nfs/dbraw/zinc/43/57/23/1048435723.db2.gz MKSRNNZXCZABAH-QRVBRYPASA-N 1 0 387.572 3.795 20 30 GHEDRO CCc1nnc(N2CCC(C#N)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001306115703 1048440655 /nfs/dbraw/zinc/44/06/55/1048440655.db2.gz WLLXWZLOOPDVFE-KRWDZBQOSA-N 1 0 380.540 3.710 20 30 GHEDRO C=CCCCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001286697224 1048457390 /nfs/dbraw/zinc/45/73/90/1048457390.db2.gz GKAOGMFVASDTHM-IBGZPJMESA-N 1 0 390.535 3.950 20 30 GHEDRO C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001286699359 1048460241 /nfs/dbraw/zinc/46/02/41/1048460241.db2.gz RLVAPLCTJKYWSM-OALUTQOASA-N 1 0 375.561 3.654 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001286719948 1048475468 /nfs/dbraw/zinc/47/54/68/1048475468.db2.gz OCOUPTYAJBRQNJ-INIZCTEOSA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001286719944 1048476041 /nfs/dbraw/zinc/47/60/41/1048476041.db2.gz NUJYLGWGSOENPX-IBGZPJMESA-N 1 0 397.548 3.940 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCC[N@H+]1CC ZINC001286721406 1048478430 /nfs/dbraw/zinc/47/84/30/1048478430.db2.gz SMYDUZQCKRAQEN-GOSISDBHSA-N 1 0 376.508 3.600 20 30 GHEDRO C=CCN(C)c1nnc(Cc2csc(C)n2)n1CC1([NH+](C)C)CCCCC1 ZINC001286727951 1048483394 /nfs/dbraw/zinc/48/33/94/1048483394.db2.gz GLXZFIGDZSSNMR-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CC=CCC1)C1CC1 ZINC001286735655 1048493150 /nfs/dbraw/zinc/49/31/50/1048493150.db2.gz INSFDPKKGKVWKK-UHFFFAOYSA-N 1 0 399.489 3.564 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001286760765 1048514908 /nfs/dbraw/zinc/51/49/08/1048514908.db2.gz PRQDJXAQWWKERD-IBGZPJMESA-N 1 0 379.552 3.875 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286770677 1048519716 /nfs/dbraw/zinc/51/97/16/1048519716.db2.gz IMJZGTPYJAEGBQ-MRXNPFEDSA-N 1 0 387.503 3.664 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001286964878 1048557223 /nfs/dbraw/zinc/55/72/23/1048557223.db2.gz FFIMNXKTCORNRR-IRXDYDNUSA-N 1 0 380.540 3.881 20 30 GHEDRO N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)c2)c1 ZINC001306366063 1048603287 /nfs/dbraw/zinc/60/32/87/1048603287.db2.gz JWQWRKKXVYWBMA-HXUWFJFHSA-N 1 0 398.466 3.997 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306366682 1048604196 /nfs/dbraw/zinc/60/41/96/1048604196.db2.gz IJGPMIXOWAAEPS-RTBURBONSA-N 1 0 392.551 3.785 20 30 GHEDRO CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1)[NH+]1CCCC1 ZINC001287157038 1048617716 /nfs/dbraw/zinc/61/77/16/1048617716.db2.gz LRRUESZNRJDBSB-FQEVSTJZSA-N 1 0 378.524 3.536 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C3CCC3)nnc2N2CCC(CC#N)CC2)C1 ZINC001287982680 1048961209 /nfs/dbraw/zinc/96/12/09/1048961209.db2.gz DLUPMJKYSWZDCJ-LJQANCHMSA-N 1 0 384.572 3.796 20 30 GHEDRO COC1CC[NH+](C2(CNc3cc(C(F)(F)F)cc(C#N)n3)CCCC2)CC1 ZINC001306970319 1048985793 /nfs/dbraw/zinc/98/57/93/1048985793.db2.gz ZUEDXJSPTMMLLH-UHFFFAOYSA-N 1 0 382.430 3.808 20 30 GHEDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc(C#N)c(Br)c2F)cc1 ZINC001307071550 1049053273 /nfs/dbraw/zinc/05/32/73/1049053273.db2.gz KIOWIRMCJPUJLO-SFHVURJKSA-N 1 0 392.272 3.840 20 30 GHEDRO C#CC[N@@H+](C)CCCNc1nc(COC)nc2scc(-c3ccccc3)c21 ZINC001307132125 1049095194 /nfs/dbraw/zinc/09/51/94/1049095194.db2.gz RFYODLIUJHSSQP-UHFFFAOYSA-N 1 0 380.517 3.872 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1F ZINC001307198054 1049132789 /nfs/dbraw/zinc/13/27/89/1049132789.db2.gz HOGPPBYZIQHITI-KRWDZBQOSA-N 1 0 381.411 3.634 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001288605993 1049158664 /nfs/dbraw/zinc/15/86/64/1049158664.db2.gz DSJBCKBCOCOMER-OAHLLOKOSA-N 1 0 386.931 3.679 20 30 GHEDRO COc1cc(C[N@H+](C[C@H](O)c2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC001307413269 1049254501 /nfs/dbraw/zinc/25/45/01/1049254501.db2.gz KGKBSGSCIAKTCX-SFHVURJKSA-N 1 0 388.414 3.866 20 30 GHEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001307433986 1049271701 /nfs/dbraw/zinc/27/17/01/1049271701.db2.gz OTOYUBUFMXTZTD-LLVKDONJSA-N 1 0 375.354 3.518 20 30 GHEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC001288990814 1049277332 /nfs/dbraw/zinc/27/73/32/1049277332.db2.gz QWIIGUIJIHTSCI-GOSISDBHSA-N 1 0 382.467 3.971 20 30 GHEDRO CO[C@@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)C ZINC001307482881 1049320477 /nfs/dbraw/zinc/32/04/77/1049320477.db2.gz SXYBLQVFRXGAIH-GJZGRUSLSA-N 1 0 377.554 3.818 20 30 GHEDRO CC[C@H](c1ccccc1)[NH+]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC001307500403 1049341158 /nfs/dbraw/zinc/34/11/58/1049341158.db2.gz RMPJERZLYZJVQY-FGZHOGPDSA-N 1 0 377.488 3.541 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)C1 ZINC001307606123 1049443953 /nfs/dbraw/zinc/44/39/53/1049443953.db2.gz FNOWNISGXUFZNX-UYAOXDASSA-N 1 0 390.524 3.580 20 30 GHEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC001307613222 1049450427 /nfs/dbraw/zinc/45/04/27/1049450427.db2.gz KAQMOFHXJUPDNX-OAQYLSRUSA-N 1 0 390.483 3.672 20 30 GHEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC001307614905 1049451986 /nfs/dbraw/zinc/45/19/86/1049451986.db2.gz CREYNYFMSRTUPR-LAUBAEHRSA-N 1 0 386.467 3.520 20 30 GHEDRO CC(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC001307651919 1049478832 /nfs/dbraw/zinc/47/88/32/1049478832.db2.gz WCEHZGROQOCLPG-XZOQPEGZSA-N 1 0 396.579 3.639 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)cc1 ZINC001307673111 1049494311 /nfs/dbraw/zinc/49/43/11/1049494311.db2.gz SVAAERMMKMQZJM-NRFANRHFSA-N 1 0 378.472 3.669 20 30 GHEDRO Cc1ccc([C@H](Cn2c(C3CC3)nnc2N2CCC[C@](C)(C#N)C2)[NH+](C)C)cc1 ZINC001289482036 1049508567 /nfs/dbraw/zinc/50/85/67/1049508567.db2.gz JBFGQEULGPYLKI-NZQKXSOJSA-N 1 0 392.551 3.897 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCCC[NH+]2CCCC2)o1 ZINC001289532053 1049527191 /nfs/dbraw/zinc/52/71/91/1049527191.db2.gz RCXRNPHIGGQVDB-KRWDZBQOSA-N 1 0 384.528 3.709 20 30 GHEDRO CO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCC2 ZINC001307776152 1049585390 /nfs/dbraw/zinc/58/53/90/1049585390.db2.gz RBBBBXCTIBRDFS-VQTJNVASSA-N 1 0 398.551 3.920 20 30 GHEDRO O=C(N1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)Cc2ccccc21)C(F)(F)F ZINC001307916345 1049692849 /nfs/dbraw/zinc/69/28/49/1049692849.db2.gz ZRUSWEKYTFRJDL-INIZCTEOSA-N 1 0 392.808 3.801 20 30 GHEDRO COC(=O)c1cccc(CN2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)c1C#N ZINC001307933231 1049705363 /nfs/dbraw/zinc/70/53/63/1049705363.db2.gz ITRZYLQIALVOEI-QHCPKHFHSA-N 1 0 391.515 3.687 20 30 GHEDRO Cc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001290759992 1049918796 /nfs/dbraw/zinc/91/87/96/1049918796.db2.gz OBTMRKICDLABCQ-QFIPXVFZSA-N 1 0 392.551 3.629 20 30 GHEDRO COc1ccc(Cl)cc1[C@@H](O)C[NH2+]Cc1cc(C#N)ccc1Br ZINC001308403911 1049968282 /nfs/dbraw/zinc/96/82/82/1049968282.db2.gz YSJLCWPBDQUQLE-INIZCTEOSA-N 1 0 395.684 3.806 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001308411189 1049969855 /nfs/dbraw/zinc/96/98/55/1049969855.db2.gz VGLKRIGQOSLFBK-UHOSZYNNSA-N 1 0 390.524 3.661 20 30 GHEDRO Cc1ccccc1CN1CCO[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001308495298 1049990505 /nfs/dbraw/zinc/99/05/05/1049990505.db2.gz QWAZJZJSPXBYQZ-HSZRJFAPSA-N 1 0 377.532 3.787 20 30 GHEDRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)ccc1C#N ZINC001308521674 1049997896 /nfs/dbraw/zinc/99/78/96/1049997896.db2.gz GHMBPJKDDDMERD-QGZVFWFLSA-N 1 0 379.451 3.849 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001308592999 1050023642 /nfs/dbraw/zinc/02/36/42/1050023642.db2.gz YTTLKMAKGDOQHY-MRXNPFEDSA-N 1 0 386.540 3.749 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001309181476 1050438733 /nfs/dbraw/zinc/43/87/33/1050438733.db2.gz VNZUKEXKHLMUDN-RXVVDRJESA-N 1 0 399.560 3.911 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)s1 ZINC001328425855 1050505460 /nfs/dbraw/zinc/50/54/60/1050505460.db2.gz XBRIPZLURATHBZ-BBRMVZONSA-N 1 0 385.455 3.775 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@@H]1c1ccc(F)cc1 ZINC001328707861 1050599981 /nfs/dbraw/zinc/59/99/81/1050599981.db2.gz CNTKGGDDLRKMBS-FSSWDIPSSA-N 1 0 392.478 3.819 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc4c[nH+]cn4c3)s2)cc1 ZINC001310087812 1051146441 /nfs/dbraw/zinc/14/64/41/1051146441.db2.gz UHIHLBYZENBUBO-UHFFFAOYSA-N 1 0 388.456 3.575 20 30 GHEDRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331329544 1051250421 /nfs/dbraw/zinc/25/04/21/1051250421.db2.gz BFPZLOOXQAOTIU-YIIVMDDZSA-N 1 0 391.437 3.682 20 30 GHEDRO C[NH2+]C1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCC1 ZINC001310257560 1051252907 /nfs/dbraw/zinc/25/29/07/1051252907.db2.gz RYLJKKIRZRFLIM-UHFFFAOYSA-N 1 0 378.476 3.709 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN3CCC[N@@H+]4CCC[C@H]4C3)c(=S)o2)cc1 ZINC001333418844 1051735687 /nfs/dbraw/zinc/73/56/87/1051735687.db2.gz HGJVNACIELPPDD-KRWDZBQOSA-N 1 0 386.521 3.565 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)C1CC1 ZINC001311137371 1051896568 /nfs/dbraw/zinc/89/65/68/1051896568.db2.gz JANNVBGUVALQRP-HXUWFJFHSA-N 1 0 384.430 3.869 20 30 GHEDRO COc1cc(N2CC[NH+](CCCCC3(C#N)CCC3)CC2)cc(OC)c1OC ZINC001335782664 1052173169 /nfs/dbraw/zinc/17/31/69/1052173169.db2.gz DTNCTKFDUDVFNN-UHFFFAOYSA-N 1 0 387.524 3.699 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC001311529283 1052223913 /nfs/dbraw/zinc/22/39/13/1052223913.db2.gz WUAVLSPGDFEVTJ-NRFANRHFSA-N 1 0 381.907 3.826 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ncc(Cl)cc3Cl)CC2)c1 ZINC001336550698 1052287155 /nfs/dbraw/zinc/28/71/55/1052287155.db2.gz NLQOAXLQYNZSCA-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001336976734 1052372467 /nfs/dbraw/zinc/37/24/67/1052372467.db2.gz RGJFGKFXIJBFQB-VXSPLGDOSA-N 1 0 389.902 3.542 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1oc(C2CC2)nc1C(F)F ZINC001337206800 1052423344 /nfs/dbraw/zinc/42/33/44/1052423344.db2.gz QEOQYWZJSHLQHT-UHFFFAOYSA-N 1 0 388.418 3.565 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Cl)cc2OC(C)C)CC1 ZINC001311890948 1052460594 /nfs/dbraw/zinc/46/05/94/1052460594.db2.gz FRKLJKXKOKUIGK-UHFFFAOYSA-N 1 0 379.932 3.967 20 30 GHEDRO C=CCCCN(CC)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001311903607 1052466288 /nfs/dbraw/zinc/46/62/88/1052466288.db2.gz DFWQZWAMLHLXBB-UHFFFAOYSA-N 1 0 392.975 3.850 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC001311954902 1052499671 /nfs/dbraw/zinc/49/96/71/1052499671.db2.gz TYXDVBIJNZMYLL-HNNXBMFYSA-N 1 0 376.932 3.911 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001312726361 1052849481 /nfs/dbraw/zinc/84/94/81/1052849481.db2.gz SGCXWFUMUIDMNV-DNQXCXABSA-N 1 0 387.527 3.864 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)cc1 ZINC001312736662 1052852467 /nfs/dbraw/zinc/85/24/67/1052852467.db2.gz OVXOFUYUPFNRDK-UHFFFAOYSA-N 1 0 383.536 3.639 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC001312853572 1052893376 /nfs/dbraw/zinc/89/33/76/1052893376.db2.gz VSAKLLZSFQDKNN-UNMCSNQZSA-N 1 0 381.520 3.785 20 30 GHEDRO C#C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC001312935894 1052915277 /nfs/dbraw/zinc/91/52/77/1052915277.db2.gz CETYEYPUOYUEPW-GOSISDBHSA-N 1 0 392.341 3.735 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@@H]3CCCC3(F)F)CC2)cc1 ZINC001313206325 1052984706 /nfs/dbraw/zinc/98/47/06/1052984706.db2.gz AGAHUOYWKYXZDT-IBGZPJMESA-N 1 0 390.478 3.601 20 30 GHEDRO C=CC(C)(C)CCCNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001313217217 1052987713 /nfs/dbraw/zinc/98/77/13/1052987713.db2.gz VNUVTGLYRXFYIT-UHFFFAOYSA-N 1 0 387.568 3.695 20 30 GHEDRO CCN(C(=O)NCc1ccc(C)c(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001313268789 1053002023 /nfs/dbraw/zinc/00/20/23/1053002023.db2.gz YKVOMIKKJIYPFY-JOCHJYFZSA-N 1 0 376.504 3.673 20 30 GHEDRO C=CCn1c(CSc2ccccc2O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001342298598 1053085418 /nfs/dbraw/zinc/08/54/18/1053085418.db2.gz KBLKPXGPWXVIMS-KRWDZBQOSA-N 1 0 399.564 3.527 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001342343217 1053118223 /nfs/dbraw/zinc/11/82/23/1053118223.db2.gz MKZFAKCLTOOXKJ-UHFFFAOYSA-N 1 0 384.572 3.935 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N(Cc1ccco1)Cc1ccco1 ZINC001342416969 1053158206 /nfs/dbraw/zinc/15/82/06/1053158206.db2.gz XCOJPLPAORLGEE-UHFFFAOYSA-N 1 0 381.480 3.666 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nnc1C(C#N)(CC)CC ZINC001342664530 1053288026 /nfs/dbraw/zinc/28/80/26/1053288026.db2.gz LDGYPPGBZMQCED-GBESFXJTSA-N 1 0 384.572 3.602 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCN2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001343457394 1053782854 /nfs/dbraw/zinc/78/28/54/1053782854.db2.gz OFANWMUWPAHLQM-HXUWFJFHSA-N 1 0 387.572 3.939 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001343607323 1053922662 /nfs/dbraw/zinc/92/26/62/1053922662.db2.gz VURQFCNUAFRACI-MOPGFXCFSA-N 1 0 375.561 3.654 20 30 GHEDRO Cn1ccnc1[C@@H](C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001343706438 1053980117 /nfs/dbraw/zinc/98/01/17/1053980117.db2.gz ZWVIOGLXIFEPEK-IPMKNSEASA-N 1 0 390.512 3.574 20 30 GHEDRO CSC1(Cn2c(-c3ccccc3)nnc2N(C)[C@H](C)CC#N)CC[NH+](C)CC1 ZINC001316404733 1054149163 /nfs/dbraw/zinc/14/91/63/1054149163.db2.gz PWHIQHKADNSTIS-QGZVFWFLSA-N 1 0 398.580 3.511 20 30 GHEDRO CC(C)[C@H]1C[C@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001344039879 1054204960 /nfs/dbraw/zinc/20/49/60/1054204960.db2.gz ZAIHHICPGIXYMY-NHCUHLMSSA-N 1 0 384.520 3.787 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(OCC#N)cc2)[NH+]2CCCC2)cc1 ZINC001317833340 1054273432 /nfs/dbraw/zinc/27/34/32/1054273432.db2.gz LMCFIIDVAQQHBK-OAQYLSRUSA-N 1 0 394.475 3.556 20 30 GHEDRO C[N@H+](Cc1ccccc1C/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC001317905830 1054301257 /nfs/dbraw/zinc/30/12/57/1054301257.db2.gz FRJGGYPLPALAHR-UHFFFAOYSA-N 1 0 397.544 3.690 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Oc2ccccc2)CC1)C(C)C ZINC001317977836 1054336277 /nfs/dbraw/zinc/33/62/77/1054336277.db2.gz LIRNQJCOEWXMBJ-QFIPXVFZSA-N 1 0 385.552 3.938 20 30 GHEDRO CC(C)Cn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1C1(C#N)CCCC1 ZINC001344434081 1054463583 /nfs/dbraw/zinc/46/35/83/1054463583.db2.gz GYHKYLUQCBUKDN-IBGZPJMESA-N 1 0 384.572 3.582 20 30 GHEDRO CC1(C)CN(C(=O)Nc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001318280733 1054544081 /nfs/dbraw/zinc/54/40/81/1054544081.db2.gz JUEYYNHUKKZNDH-UHFFFAOYSA-N 1 0 378.476 3.717 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)cc1OC ZINC001318502402 1054682811 /nfs/dbraw/zinc/68/28/11/1054682811.db2.gz GISTUSGRNZEWEF-SJORKVTESA-N 1 0 397.357 3.985 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC001318595454 1054739604 /nfs/dbraw/zinc/73/96/04/1054739604.db2.gz AOBDBXNGJOFSLI-JOCHJYFZSA-N 1 0 391.515 3.904 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001345750557 1055241786 /nfs/dbraw/zinc/24/17/86/1055241786.db2.gz OCSRMMPARJZKOP-WIYYLYMNSA-N 1 0 392.551 3.806 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001345875405 1055306898 /nfs/dbraw/zinc/30/68/98/1055306898.db2.gz QGTHJPIAXHNYIW-NSHGMRRFSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1 ZINC001320038285 1055614599 /nfs/dbraw/zinc/61/45/99/1055614599.db2.gz OVPPEFBEMDSASH-ZDXQCDESSA-N 1 0 381.516 3.739 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)o2)c1 ZINC001320050532 1055622105 /nfs/dbraw/zinc/62/21/05/1055622105.db2.gz GXLKKISLZCXSEE-QGZVFWFLSA-N 1 0 384.443 3.864 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2F)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300449710 1056130163 /nfs/dbraw/zinc/13/01/63/1056130163.db2.gz MSJZYCBIENALQH-RTBURBONSA-N 1 0 397.542 3.912 20 30 GHEDRO C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300476935 1056233895 /nfs/dbraw/zinc/23/38/95/1056233895.db2.gz YIXYZJRZCDOWEZ-IBGZPJMESA-N 1 0 397.592 3.680 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001300622224 1056697267 /nfs/dbraw/zinc/69/72/67/1056697267.db2.gz YNGXBZADTRETDQ-OAQYLSRUSA-N 1 0 388.519 3.570 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300648491 1056767620 /nfs/dbraw/zinc/76/76/20/1056767620.db2.gz FFICMFLDZUZWFD-MOPGFXCFSA-N 1 0 397.542 3.740 20 30 GHEDRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000848406107 1057069390 /nfs/dbraw/zinc/06/93/90/1057069390.db2.gz AYZLQNUTHVEJEC-HOTGVXAUSA-N 1 0 379.936 3.576 20 30 GHEDRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC001355252839 1057096534 /nfs/dbraw/zinc/09/65/34/1057096534.db2.gz NZLLZMYYUSFRPK-UHFFFAOYSA-N 1 0 381.476 3.903 20 30 GHEDRO C=CCn1c([C@H](O)CCCCC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001355855829 1057294327 /nfs/dbraw/zinc/29/43/27/1057294327.db2.gz RQJYWUXBSREFET-DFQSSKMNSA-N 1 0 387.572 3.531 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001355875306 1057302116 /nfs/dbraw/zinc/30/21/16/1057302116.db2.gz ALNRSARPNYLFPQ-MRXNPFEDSA-N 1 0 379.499 3.822 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001356052879 1057370489 /nfs/dbraw/zinc/37/04/89/1057370489.db2.gz CLLBXDFMGAUDNI-OYNPSCLESA-N 1 0 390.535 3.580 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]2C1 ZINC001356063573 1057374143 /nfs/dbraw/zinc/37/41/43/1057374143.db2.gz VQIGUEDVKQTNIS-IIAWOOMASA-N 1 0 391.313 3.515 20 30 GHEDRO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001356093779 1057387204 /nfs/dbraw/zinc/38/72/04/1057387204.db2.gz DKZOFASSAQOUGB-IAGOWNOFSA-N 1 0 379.499 3.679 20 30 GHEDRO C=CCn1c(-c2sc(C)nc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001356130387 1057402818 /nfs/dbraw/zinc/40/28/18/1057402818.db2.gz KNTZKQLPTWCOCK-UHFFFAOYSA-N 1 0 386.569 3.659 20 30 GHEDRO N#Cc1ccnc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001326085770 1057410906 /nfs/dbraw/zinc/41/09/06/1057410906.db2.gz YNFQOWKPVUFJRU-YQQQUEKLSA-N 1 0 377.448 3.859 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2c(C)n[nH]c2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001356228895 1057439669 /nfs/dbraw/zinc/43/96/69/1057439669.db2.gz WUPXHPFDPXPFJK-INIZCTEOSA-N 1 0 399.587 3.657 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001356619136 1057574701 /nfs/dbraw/zinc/57/47/01/1057574701.db2.gz XEYMDPJXEMEOSQ-FPOVZHCZSA-N 1 0 392.551 3.972 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001357144025 1057614855 /nfs/dbraw/zinc/61/48/55/1057614855.db2.gz GOCHIARETYTDEP-VSZNYVQBSA-N 1 0 393.526 3.924 20 30 GHEDRO C=C(C)CCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001441317956 1058749155 /nfs/dbraw/zinc/74/91/55/1058749155.db2.gz URWNDSMTIYFRRB-UHFFFAOYSA-N 1 0 377.532 3.981 20 30 GHEDRO C=CCn1c(-c2ccc(C)nc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001338800077 1058794602 /nfs/dbraw/zinc/79/46/02/1058794602.db2.gz ZZPOXXKGSZYLBY-RXVVDRJESA-N 1 0 392.551 3.596 20 30 GHEDRO CCC(CC)(C/N=C1/NS(=O)(=O)c2ccccc21)[NH2+][C@@H](C)c1ccccc1 ZINC001338889717 1058859700 /nfs/dbraw/zinc/85/97/00/1058859700.db2.gz YDSYWKQCTNIOJJ-INIZCTEOSA-N 1 0 385.533 3.635 20 30 GHEDRO C=CCn1c(-c2coc(C#N)c2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001338905954 1058870558 /nfs/dbraw/zinc/87/05/58/1058870558.db2.gz NHAMPECGPABZEW-UHFFFAOYSA-N 1 0 394.523 3.831 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001442078146 1058912832 /nfs/dbraw/zinc/91/28/32/1058912832.db2.gz DCMNBRNNRKUBOR-KGVIQGDOSA-N 1 0 395.588 3.863 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001338995728 1058918889 /nfs/dbraw/zinc/91/88/89/1058918889.db2.gz SGGLFARQPCISAG-XSLAGTTESA-N 1 0 375.561 3.507 20 30 GHEDRO C=CCn1c(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)nnc1C(C)(C)CC#N ZINC001339056114 1058941600 /nfs/dbraw/zinc/94/16/00/1058941600.db2.gz IHAXDQIBHPFQNN-IBGZPJMESA-N 1 0 392.551 3.614 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001339279050 1059064511 /nfs/dbraw/zinc/06/45/11/1059064511.db2.gz XPYLSWMQGOZQJM-UHFFFAOYSA-N 1 0 384.528 3.616 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cc(Br)ccc1F)C(C)C ZINC001443422068 1059126742 /nfs/dbraw/zinc/12/67/42/1059126742.db2.gz DZWVVXFLSMBNEM-SFHVURJKSA-N 1 0 397.332 3.946 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC(O)(c2cccc(Cl)c2)C1)C(C)C ZINC001443428413 1059128120 /nfs/dbraw/zinc/12/81/20/1059128120.db2.gz OQEWDVMGHMCZRK-DHHCDUQHSA-N 1 0 390.955 3.752 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)C#Cc2ccc3c(c2)OCO3)CCCC1)c1ccccc1 ZINC001444086009 1059261355 /nfs/dbraw/zinc/26/13/55/1059261355.db2.gz IITPTPVYCFLCEA-GOSISDBHSA-N 1 0 390.483 3.547 20 30 GHEDRO C=C(C)CCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC001444651992 1059355276 /nfs/dbraw/zinc/35/52/76/1059355276.db2.gz RWONKGBMMHPHIN-UHFFFAOYSA-N 1 0 395.341 3.765 20 30 GHEDRO Cn1c(CCCCC#N)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001339695848 1059397325 /nfs/dbraw/zinc/39/73/25/1059397325.db2.gz NRWHEVPYCFQSKV-HSZRJFAPSA-N 1 0 392.551 3.544 20 30 GHEDRO C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001339775814 1059461599 /nfs/dbraw/zinc/46/15/99/1059461599.db2.gz ZVMLOKMDEFRVGL-OXJNMPFZSA-N 1 0 387.478 3.893 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001339796349 1059477713 /nfs/dbraw/zinc/47/77/13/1059477713.db2.gz MNEOGZCFNWBJOI-HZMVEIRTSA-N 1 0 379.499 3.533 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CC#Cc2ccccc2)CC1 ZINC001340356660 1059884082 /nfs/dbraw/zinc/88/40/82/1059884082.db2.gz LLOLVGCSXFOKLD-UHFFFAOYSA-N 1 0 381.907 3.862 20 30 GHEDRO N#CCCCCc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1ccccc1 ZINC001340738091 1060085547 /nfs/dbraw/zinc/08/55/47/1060085547.db2.gz DWRQXRPHTKVBEX-OAQYLSRUSA-N 1 0 392.551 3.627 20 30 GHEDRO CCCN(CCCOc1cccc(C#N)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC001340897372 1060231050 /nfs/dbraw/zinc/23/10/50/1060231050.db2.gz GUFIIDRKLROBHC-UHFFFAOYSA-N 1 0 382.489 3.950 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001448872772 1060288542 /nfs/dbraw/zinc/28/85/42/1060288542.db2.gz MDYSWASDKIBSGP-UHFFFAOYSA-N 1 0 387.524 3.564 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC001448885564 1060292943 /nfs/dbraw/zinc/29/29/43/1060292943.db2.gz XPLCGDCGSNVRGE-UHFFFAOYSA-N 1 0 396.491 3.988 20 30 GHEDRO C#CCOc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC001449779831 1060459918 /nfs/dbraw/zinc/45/99/18/1060459918.db2.gz IWVGOWBEDUZFIL-FQEVSTJZSA-N 1 0 390.527 3.658 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC001450081789 1060527340 /nfs/dbraw/zinc/52/73/40/1060527340.db2.gz PSLSTDPZDSACKK-WOJBJXKFSA-N 1 0 386.417 3.774 20 30 GHEDRO Cn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001341546023 1060738736 /nfs/dbraw/zinc/73/87/36/1060738736.db2.gz WVTDHLGKKFJEAC-NRFANRHFSA-N 1 0 398.514 3.587 20 30 GHEDRO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001341669786 1060801674 /nfs/dbraw/zinc/80/16/74/1060801674.db2.gz RAZPMOYTPQNXAN-FQEVSTJZSA-N 1 0 397.523 3.922 20 30 GHEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1cccc(OCC#N)c1 ZINC001341691516 1060814173 /nfs/dbraw/zinc/81/41/73/1060814173.db2.gz IUEPCRJMWGAZGF-INIZCTEOSA-N 1 0 385.895 3.769 20 30 GHEDRO C=CCn1c(-c2cncc3ccccc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001342206978 1061134453 /nfs/dbraw/zinc/13/44/53/1061134453.db2.gz BAJVLPCHRTXSQC-SFHVURJKSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCn1c(-c2cc3c(cccc3O)[nH]2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342212908 1061139046 /nfs/dbraw/zinc/13/90/46/1061139046.db2.gz ZPWCNCRBZGPWCP-UHFFFAOYSA-N 1 0 394.523 3.629 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC001346417823 1061555244 /nfs/dbraw/zinc/55/52/44/1061555244.db2.gz LUGQTBINJNEFAK-DFBGVHRSSA-N 1 0 377.357 3.503 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001346703404 1061806573 /nfs/dbraw/zinc/80/65/73/1061806573.db2.gz IGQUBAGTPMFUMC-KRWDZBQOSA-N 1 0 392.507 3.701 20 30 GHEDRO C#CCOc1ccc(C(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001454538331 1061822612 /nfs/dbraw/zinc/82/26/12/1061822612.db2.gz JYQHLQKTYSMECI-LJQANCHMSA-N 1 0 390.405 3.750 20 30 GHEDRO CN(C(=O)c1c[nH]c2cccc(C#N)c12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001347673520 1062566454 /nfs/dbraw/zinc/56/64/54/1062566454.db2.gz CGWVQQJACJOROG-UHFFFAOYSA-N 1 0 378.398 3.528 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001348286123 1062979830 /nfs/dbraw/zinc/97/98/30/1062979830.db2.gz SLTONNNKVOMJCG-HXUWFJFHSA-N 1 0 395.503 3.612 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC001457743097 1063340434 /nfs/dbraw/zinc/34/04/34/1063340434.db2.gz HZCFAYOOZYUCBX-UHFFFAOYSA-N 1 0 391.515 3.790 20 30 GHEDRO N#CCc1ccsc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001458248327 1063694215 /nfs/dbraw/zinc/69/42/15/1063694215.db2.gz VYMJDUWSQWMJLE-HSALFYBXSA-N 1 0 379.529 3.845 20 30 GHEDRO CC[NH+](CC)CC[C@H](NC(=O)Nc1cc(C)n(CCC#N)n1)c1ccccc1 ZINC001350074845 1063980641 /nfs/dbraw/zinc/98/06/41/1063980641.db2.gz VGQSGVDDDYHBQJ-IBGZPJMESA-N 1 0 382.512 3.700 20 30 GHEDRO COc1cc(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001438357885 1064041976 /nfs/dbraw/zinc/04/19/76/1064041976.db2.gz LVQYRRMMSRYVMN-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO N#CC1CCC(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001459406496 1064087946 /nfs/dbraw/zinc/08/79/46/1064087946.db2.gz QSZJCWXUUFZBIE-UHFFFAOYSA-N 1 0 390.325 3.537 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)n2)c1 ZINC001438797996 1064115457 /nfs/dbraw/zinc/11/54/57/1064115457.db2.gz SJPDVCUBSIKCMF-UHFFFAOYSA-N 1 0 385.471 3.982 20 30 GHEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC001459768296 1064207506 /nfs/dbraw/zinc/20/75/06/1064207506.db2.gz HQPVIBOTQVDUGX-ISKFKSNPSA-N 1 0 396.579 3.590 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2C)CC1 ZINC001350961693 1064228288 /nfs/dbraw/zinc/22/82/88/1064228288.db2.gz JKQAQUQUFVWXLK-HSZRJFAPSA-N 1 0 396.583 3.775 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC001459992284 1064327898 /nfs/dbraw/zinc/32/78/98/1064327898.db2.gz PHMYVQOCFPEHEA-UHFFFAOYSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCn1c([C@H](C)c2ccccn2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001351828326 1064630102 /nfs/dbraw/zinc/63/01/02/1064630102.db2.gz ALPVQYZZZQNYOX-LJQANCHMSA-N 1 0 396.583 3.959 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001352149610 1064885665 /nfs/dbraw/zinc/88/56/65/1064885665.db2.gz CGOCZEJQCIUFKI-GHTZIAJQSA-N 1 0 395.551 3.977 20 30 GHEDRO C=CC1(CC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CCCCC1 ZINC001352239145 1064945247 /nfs/dbraw/zinc/94/52/47/1064945247.db2.gz TWAAWAVCYKAQGW-LJQANCHMSA-N 1 0 383.536 3.849 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC001464564337 1065083759 /nfs/dbraw/zinc/08/37/59/1065083759.db2.gz WNFAPQJWESYLTB-HXUWFJFHSA-N 1 0 396.535 3.822 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000847364281 1065132944 /nfs/dbraw/zinc/13/29/44/1065132944.db2.gz KIKLPTSBUJAAJC-SFHVURJKSA-N 1 0 391.515 3.526 20 30 GHEDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(C#N)c1Br ZINC001464727255 1065178151 /nfs/dbraw/zinc/17/81/51/1065178151.db2.gz MVJUQEHXSNDUKR-UHFFFAOYSA-N 1 0 386.293 3.655 20 30 GHEDRO CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001352635884 1065195072 /nfs/dbraw/zinc/19/50/72/1065195072.db2.gz ANEPACOGXCJFSU-REWPJTCUSA-N 1 0 392.551 3.808 20 30 GHEDRO CCn1c(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nnc1C(C)(C)CC#N ZINC001352638138 1065196213 /nfs/dbraw/zinc/19/62/13/1065196213.db2.gz STQUFFJJXACDBY-SFHVURJKSA-N 1 0 386.588 3.970 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C(C)C ZINC001464867646 1065251455 /nfs/dbraw/zinc/25/14/55/1065251455.db2.gz CHFLJGCCVODLNE-MSOLQXFVSA-N 1 0 384.442 3.554 20 30 GHEDRO CC1(C)CN(C(=O)[C@@H](C#N)CCc2ccccc2)CCN1Cc1ccccc1 ZINC001464933690 1065278886 /nfs/dbraw/zinc/27/88/86/1065278886.db2.gz XVTHOPOTJMSXTC-JOCHJYFZSA-N 1 0 375.516 3.882 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001465028303 1065337147 /nfs/dbraw/zinc/33/71/47/1065337147.db2.gz BSTSEWHWWHSQTE-HXUWFJFHSA-N 1 0 387.487 3.561 20 30 GHEDRO C=CCNC(=S)Nc1cc(C)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001200281779 1065798998 /nfs/dbraw/zinc/79/89/98/1065798998.db2.gz BUHCNUVCCYOOSY-UHFFFAOYSA-N 1 0 383.565 3.576 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001465889891 1065911384 /nfs/dbraw/zinc/91/13/84/1065911384.db2.gz PEWJITGGPFVKSN-SFHVURJKSA-N 1 0 391.284 3.912 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001300284902 1065924126 /nfs/dbraw/zinc/92/41/26/1065924126.db2.gz VNHLQNWWZRWICK-LJQANCHMSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001300293773 1065942672 /nfs/dbraw/zinc/94/26/72/1065942672.db2.gz RXTPKHNIMSNPJV-UYAOXDASSA-N 1 0 389.503 3.833 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CC2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300302807 1065956883 /nfs/dbraw/zinc/95/68/83/1065956883.db2.gz DUDUOKGOLXATOY-ZJOUEHCJSA-N 1 0 391.563 3.914 20 30 GHEDRO CC(C)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)[NH+]1CCC(C)CC1 ZINC001353513842 1065990417 /nfs/dbraw/zinc/99/04/17/1065990417.db2.gz FVMOFCHZQUDCCV-GOSISDBHSA-N 1 0 392.341 3.807 20 30 GHEDRO N#CC1(COC(=O)[C@H]2CC23CCSCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847746692 1066014602 /nfs/dbraw/zinc/01/46/02/1066014602.db2.gz PSTZYVSTVSAVPB-LJQANCHMSA-N 1 0 384.545 3.869 20 30 GHEDRO N#CC1(COC(=O)c2ccnc3ccncc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847746506 1066014941 /nfs/dbraw/zinc/01/49/41/1066014941.db2.gz KDCWKQUXQLGVDQ-UHFFFAOYSA-N 1 0 386.455 3.593 20 30 GHEDRO CC(=O)c1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000847746163 1066019445 /nfs/dbraw/zinc/01/94/45/1066019445.db2.gz ARIHPMBLMAOBPH-UHFFFAOYSA-N 1 0 382.485 3.913 20 30 GHEDRO COc1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1F ZINC000847747457 1066021291 /nfs/dbraw/zinc/02/12/91/1066021291.db2.gz IPNBVUOUDKSYCS-UHFFFAOYSA-N 1 0 382.435 3.797 20 30 GHEDRO N#CC1(COC(=O)C[C@@H]2OCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847747561 1066021541 /nfs/dbraw/zinc/02/15/41/1066021541.db2.gz QGQLLEKYXOATLU-QFIPXVFZSA-N 1 0 390.483 3.997 20 30 GHEDRO N#CC1(COC(=O)CSCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000847747699 1066022401 /nfs/dbraw/zinc/02/24/01/1066022401.db2.gz NXUCXJQUDAYCKZ-UHFFFAOYSA-N 1 0 386.439 3.631 20 30 GHEDRO Cc1ccc(/C=C\C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000847747310 1066023834 /nfs/dbraw/zinc/02/38/34/1066023834.db2.gz GFLBIYMCFTWKSS-KTKRTIGZSA-N 1 0 375.472 3.752 20 30 GHEDRO CC(C)(C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000847747758 1066034121 /nfs/dbraw/zinc/03/41/21/1066034121.db2.gz PXJOQELGCHINSV-UHFFFAOYSA-N 1 0 384.520 3.788 20 30 GHEDRO N#CC1(COC(=O)Cc2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000847749664 1066035842 /nfs/dbraw/zinc/03/58/42/1066035842.db2.gz YANCCITXQYOBAM-UHFFFAOYSA-N 1 0 384.426 3.856 20 30 GHEDRO N#CC1(COC(=O)Cc2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000847749579 1066035881 /nfs/dbraw/zinc/03/58/81/1066035881.db2.gz VGBGIYHNSYOLJQ-UHFFFAOYSA-N 1 0 384.426 3.856 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC(F)(F)F ZINC001466342888 1066103165 /nfs/dbraw/zinc/10/31/65/1066103165.db2.gz FTDOCAXJZVFEFL-HUUCEWRRSA-N 1 0 382.386 3.595 20 30 GHEDRO C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001300423346 1066296638 /nfs/dbraw/zinc/29/66/38/1066296638.db2.gz MUIHRTYPVVNULV-LJQANCHMSA-N 1 0 397.592 3.823 20 30 GHEDRO CC(C)Cn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@H](C)CCC#N ZINC001357849064 1067302608 /nfs/dbraw/zinc/30/26/08/1067302608.db2.gz UTUOJBSKIXIGSZ-MRXNPFEDSA-N 1 0 384.532 3.548 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCC[N@@H+]2C2CCOCC2)n1CC(C)C ZINC001358167594 1067425917 /nfs/dbraw/zinc/42/59/17/1067425917.db2.gz WWWWCXHITYFSDK-LJQANCHMSA-N 1 0 375.561 3.652 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC#Cc1ccccc1 ZINC001467909540 1067523624 /nfs/dbraw/zinc/52/36/24/1067523624.db2.gz DQOUVTGGNIDZIB-HSZRJFAPSA-N 1 0 375.516 3.590 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1C#N ZINC001468014708 1067565896 /nfs/dbraw/zinc/56/58/96/1067565896.db2.gz BWQKVUAXPNFLPU-SFHVURJKSA-N 1 0 386.496 3.521 20 30 GHEDRO C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001358923448 1067614941 /nfs/dbraw/zinc/61/49/41/1067614941.db2.gz OCRQNNYLJNPXKA-IAGOWNOFSA-N 1 0 385.943 3.931 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[NH+]1CCCCC1 ZINC001358943094 1067624106 /nfs/dbraw/zinc/62/41/06/1067624106.db2.gz VIAHFBSJGHMFNM-UHFFFAOYSA-N 1 0 392.334 3.807 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001358944685 1067625467 /nfs/dbraw/zinc/62/54/67/1067625467.db2.gz DJTRBPSWLWWECL-HXUWFJFHSA-N 1 0 391.519 3.999 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359003910 1067645397 /nfs/dbraw/zinc/64/53/97/1067645397.db2.gz BAVVMQDPJQXSSI-IBGZPJMESA-N 1 0 383.540 3.674 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359005383 1067647079 /nfs/dbraw/zinc/64/70/79/1067647079.db2.gz GNCOMCLNZDLSOP-QGZVFWFLSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+](C)C(C)C ZINC001359011204 1067651313 /nfs/dbraw/zinc/65/13/13/1067651313.db2.gz OIDYTYKHWOWCMB-UHFFFAOYSA-N 1 0 387.959 3.712 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001359162321 1067717489 /nfs/dbraw/zinc/71/74/89/1067717489.db2.gz MGHABDPUMZSASE-GOSISDBHSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)CCCC)CC1 ZINC001359162468 1067717600 /nfs/dbraw/zinc/71/76/00/1067717600.db2.gz RLYDLBHBLYGQGE-UHFFFAOYSA-N 1 0 388.947 3.882 20 30 GHEDRO C=C1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001359166183 1067720322 /nfs/dbraw/zinc/72/03/22/1067720322.db2.gz IWUYNRAZCLOMET-RTBURBONSA-N 1 0 389.588 3.521 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@H]1CCC(F)(F)C1 ZINC000849097579 1067725298 /nfs/dbraw/zinc/72/52/98/1067725298.db2.gz UTWOVMISVWYHOF-KRWDZBQOSA-N 1 0 383.483 3.592 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359176971 1067736318 /nfs/dbraw/zinc/73/63/18/1067736318.db2.gz VPFAINMAUSOICK-RTBURBONSA-N 1 0 396.583 3.806 20 30 GHEDRO C=CC1CCN(c2nnc(COCC)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359181725 1067743743 /nfs/dbraw/zinc/74/37/43/1067743743.db2.gz FSAQMJANORVIFV-LJQANCHMSA-N 1 0 389.588 3.872 20 30 GHEDRO C=CC[C@H](Cn1c(CC)nnc1N1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001359195313 1067763041 /nfs/dbraw/zinc/76/30/41/1067763041.db2.gz KLYSVAGHWVDPRJ-OAQYLSRUSA-N 1 0 379.552 3.732 20 30 GHEDRO C=CCCOCCn1c([C@H](C)CC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359222564 1067805006 /nfs/dbraw/zinc/80/50/06/1067805006.db2.gz LOEVADMEXGLUDB-LJQANCHMSA-N 1 0 389.588 3.839 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+]1CC ZINC001359230910 1067831608 /nfs/dbraw/zinc/83/16/08/1067831608.db2.gz IVVXCUBPGOYHMM-WMZOPIPTSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCC[N@H+]1CC ZINC001359232509 1067834440 /nfs/dbraw/zinc/83/44/40/1067834440.db2.gz WRKSYDZCKLIJES-IAGOWNOFSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001359233624 1067836035 /nfs/dbraw/zinc/83/60/35/1067836035.db2.gz LRARLDADBWRDCS-UHFFFAOYSA-N 1 0 383.540 3.698 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359235208 1067839547 /nfs/dbraw/zinc/83/95/47/1067839547.db2.gz QYXQPVOXVPISQR-CVEARBPZSA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359236479 1067842047 /nfs/dbraw/zinc/84/20/47/1067842047.db2.gz NAMCZWOOKCNGQK-SFHVURJKSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359236478 1067842494 /nfs/dbraw/zinc/84/24/94/1067842494.db2.gz NAMCZWOOKCNGQK-GOSISDBHSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359240116 1067849402 /nfs/dbraw/zinc/84/94/02/1067849402.db2.gz GJCCOUIGETUKNO-PKOBYXMFSA-N 1 0 383.540 3.534 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001359248864 1067894156 /nfs/dbraw/zinc/89/41/56/1067894156.db2.gz FTKZWKILDAFXEE-MSOLQXFVSA-N 1 0 380.540 3.615 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC001469034717 1067959171 /nfs/dbraw/zinc/95/91/71/1067959171.db2.gz GTPIOYNBCJHNEE-UHFFFAOYSA-N 1 0 393.453 3.524 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359286204 1067966102 /nfs/dbraw/zinc/96/61/02/1067966102.db2.gz VFGPKYKMAXHCQB-IAGOWNOFSA-N 1 0 378.524 3.542 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)cc1F ZINC001469322237 1068101264 /nfs/dbraw/zinc/10/12/64/1068101264.db2.gz COKCUKDXJRBXEW-LEWJYISDSA-N 1 0 381.426 3.718 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N(C)CCc3cccc(C#N)c3)CC2)CC1 ZINC001469508489 1068197710 /nfs/dbraw/zinc/19/77/10/1068197710.db2.gz PCKPRTBAKJQWEK-UHFFFAOYSA-N 1 0 382.552 3.785 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001360412553 1068490483 /nfs/dbraw/zinc/49/04/83/1068490483.db2.gz SYLQLKHTHRDCQD-LJQANCHMSA-N 1 0 380.488 3.654 20 30 GHEDRO N#Cc1sccc1N1CC[NH+](CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC001460415220 1068957428 /nfs/dbraw/zinc/95/74/28/1068957428.db2.gz KARCYMDXNFUQSL-UHFFFAOYSA-N 1 0 381.545 3.831 20 30 GHEDRO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC001460722643 1069124150 /nfs/dbraw/zinc/12/41/50/1069124150.db2.gz YHIMVNJWBJXADJ-GOSISDBHSA-N 1 0 383.442 3.721 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H]([C@@H]4CCCO4)C3)sc2C1 ZINC001460750865 1069155365 /nfs/dbraw/zinc/15/53/65/1069155365.db2.gz RQOJSFWUGSVEMA-RKVPGOIHSA-N 1 0 387.549 3.574 20 30 GHEDRO OC1(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCCC1 ZINC001460874857 1069243932 /nfs/dbraw/zinc/24/39/32/1069243932.db2.gz IDFMVJODVXOUFG-NXEZZACHSA-N 1 0 381.307 3.784 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC001478471830 1078882386 /nfs/dbraw/zinc/88/23/86/1078882386.db2.gz GDNFJPOLMZFESX-YWZLYKJASA-N 1 0 386.446 3.897 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC001460934869 1069283399 /nfs/dbraw/zinc/28/33/99/1069283399.db2.gz WKZBMWPMGDGHNQ-ZWKOTPCHSA-N 1 0 382.533 3.651 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@](C)(c1ccc(Br)cc1)C(C)C ZINC001478736848 1078970718 /nfs/dbraw/zinc/97/07/18/1078970718.db2.gz QBADHGXHGZQKCI-IBGZPJMESA-N 1 0 394.357 3.575 20 30 GHEDRO C=CC[C@H]1N(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1(C)C ZINC001471191652 1072959780 /nfs/dbraw/zinc/95/97/80/1072959780.db2.gz QSBAASDRVPJHQX-OAQYLSRUSA-N 1 0 384.568 3.715 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC001478896270 1079019048 /nfs/dbraw/zinc/01/90/48/1079019048.db2.gz LPLUTDXNMHFOIF-TVRKMHQQSA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001479094756 1079100727 /nfs/dbraw/zinc/10/07/27/1079100727.db2.gz ZSOUODRRPYKXMU-LEWJYISDSA-N 1 0 392.632 3.957 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001472551548 1073547623 /nfs/dbraw/zinc/54/76/23/1073547623.db2.gz UBZTUSCKHAPXFK-JOCHJYFZSA-N 1 0 394.563 3.690 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3cc(F)c(C#N)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC001472655394 1073599331 /nfs/dbraw/zinc/59/93/31/1073599331.db2.gz KXDILPFTEMFLNY-HUUCEWRRSA-N 1 0 398.438 3.827 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001473157735 1073815992 /nfs/dbraw/zinc/81/59/92/1073815992.db2.gz MQMKRNNPBVBADU-JOCHJYFZSA-N 1 0 383.923 3.680 20 30 GHEDRO C[C@]1(CCc2ccccc2)CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001473213342 1073865320 /nfs/dbraw/zinc/86/53/20/1073865320.db2.gz TZYOAGRCENILSR-VWLOTQADSA-N 1 0 386.495 3.631 20 30 GHEDRO N#Cc1cccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC001473449941 1073968967 /nfs/dbraw/zinc/96/89/67/1073968967.db2.gz WPEGFHNDWQFPOX-LJQANCHMSA-N 1 0 390.405 3.594 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001473637910 1074061609 /nfs/dbraw/zinc/06/16/09/1074061609.db2.gz MQLFBOINZNWFAY-XJKSGUPXSA-N 1 0 398.288 3.954 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001473641232 1074062318 /nfs/dbraw/zinc/06/23/18/1074062318.db2.gz JEVVHAQXHCKVNZ-NRFANRHFSA-N 1 0 399.332 3.947 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001473731932 1074113461 /nfs/dbraw/zinc/11/34/61/1074113461.db2.gz KEDKYRKLKJTXOR-SFHVURJKSA-N 1 0 376.504 3.660 20 30 GHEDRO COc1ccc([C@@H]2C[N@H+](CCC(C)(C)C#N)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001473732113 1074113595 /nfs/dbraw/zinc/11/35/95/1074113595.db2.gz BVPPKHKKINHATD-RBUKOAKNSA-N 1 0 387.524 3.928 20 30 GHEDRO CC1(C)[C@@H](c2cccc(Cl)c2)CC[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001473769981 1074133286 /nfs/dbraw/zinc/13/32/86/1074133286.db2.gz REQVHDSQAPMKMH-QGZVFWFLSA-N 1 0 381.867 3.728 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1 ZINC001473842407 1074170006 /nfs/dbraw/zinc/17/00/06/1074170006.db2.gz OWXJCJQFYULCCG-QZTJIDSGSA-N 1 0 377.488 3.916 20 30 GHEDRO C=CC[C@@H](C(=O)OC)[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001473851647 1074175361 /nfs/dbraw/zinc/17/53/61/1074175361.db2.gz GPQVARCABAOXPV-MJGOQNOKSA-N 1 0 394.556 3.853 20 30 GHEDRO COc1ccc(OC)c(CC[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001473961600 1074219257 /nfs/dbraw/zinc/21/92/57/1074219257.db2.gz LFQLNKBIULDQFL-UHFFFAOYSA-N 1 0 375.266 3.670 20 30 GHEDRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC001473974033 1074222732 /nfs/dbraw/zinc/22/27/32/1074222732.db2.gz GJKMSZNSSIOJSJ-GOSISDBHSA-N 1 0 384.911 3.655 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001474007310 1074233908 /nfs/dbraw/zinc/23/39/08/1074233908.db2.gz XTPCDPBSWZNOCD-UHFFFAOYSA-N 1 0 395.890 3.917 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC001479620313 1079240277 /nfs/dbraw/zinc/24/02/77/1079240277.db2.gz IISRYLIPSZTEKD-IBGZPJMESA-N 1 0 387.936 3.624 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1OC ZINC001474286408 1074326189 /nfs/dbraw/zinc/32/61/89/1074326189.db2.gz LBCFIGVISFJHLI-AWEZNQCLSA-N 1 0 398.887 3.554 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493696976 1079288132 /nfs/dbraw/zinc/28/81/32/1079288132.db2.gz LVOBJCBWQTXBFE-RTBURBONSA-N 1 0 390.535 3.703 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC001475626492 1074930196 /nfs/dbraw/zinc/93/01/96/1074930196.db2.gz FIJSCGLRHHSGSB-UHFFFAOYSA-N 1 0 395.956 3.631 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc4c[nH+]cn4c3)cn2)cc1 ZINC001475954505 1075056307 /nfs/dbraw/zinc/05/63/07/1075056307.db2.gz FRKYVBYNRVWORP-UHFFFAOYSA-N 1 0 384.399 3.715 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(F)cc1OCC#N ZINC001476283295 1075115664 /nfs/dbraw/zinc/11/56/64/1075115664.db2.gz KNEXERXMVBXJTI-SJLPKXTDSA-N 1 0 396.466 3.618 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001501977731 1079628940 /nfs/dbraw/zinc/62/89/40/1079628940.db2.gz DQJCKZHDUISULV-GCJKJVERSA-N 1 0 380.540 3.805 20 30 GHEDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(F)cc1C#N ZINC001648467046 1126250719 /nfs/dbraw/zinc/25/07/19/1126250719.db2.gz UWDFVLMWPVRTLN-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736793019 600593750 /nfs/dbraw/zinc/59/37/50/600593750.db2.gz IJDWJFHHHCJBCQ-HTAPYJJXSA-N 1 0 377.488 3.706 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828266277 601300402 /nfs/dbraw/zinc/30/04/02/601300402.db2.gz RLLJYGDVNOIAQD-JTSKRJEESA-N 1 0 377.488 3.706 20 30 GHEDRO N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000833070822 604497883 /nfs/dbraw/zinc/49/78/83/604497883.db2.gz AQANPAWRHHJIMG-XPWALMASSA-N 1 0 389.499 3.670 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825038420 609151610 /nfs/dbraw/zinc/15/16/10/609151610.db2.gz BEDWXIVBKOOEQG-CZUORRHYSA-N 1 0 380.427 3.538 20 30 GHEDRO N#Cc1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164905788 721527768 /nfs/dbraw/zinc/52/77/68/721527768.db2.gz IEOJMLQTLIKIOP-TZIWHRDSSA-N 1 0 388.446 3.587 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C#N)cc(Cl)n3)C[C@@H]21 ZINC001165023353 721797868 /nfs/dbraw/zinc/79/78/68/721797868.db2.gz JPUBCMBUOBFJRM-NZSAHSFTSA-N 1 0 381.911 3.739 20 30 GHEDRO N#Cc1cc2nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ccc2[nH]1 ZINC001164995361 722207085 /nfs/dbraw/zinc/20/70/85/722207085.db2.gz MMXRTTJRMWTIFQ-JOCHJYFZSA-N 1 0 375.451 3.819 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(C#N)cc1 ZINC000579928716 837385179 /nfs/dbraw/zinc/38/51/79/837385179.db2.gz BFLOJDJYNDYNQQ-UGSOOPFHSA-N 1 0 384.277 3.777 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC2(CCOCC2)O1 ZINC000581111875 837475551 /nfs/dbraw/zinc/47/55/51/837475551.db2.gz LPELTTJRMMULCM-LJQANCHMSA-N 1 0 392.499 3.907 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000180961887 837741262 /nfs/dbraw/zinc/74/12/62/837741262.db2.gz APOZRFMWAHJXFN-CYBMUJFWSA-N 1 0 377.366 3.789 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000579697295 834394515 /nfs/dbraw/zinc/39/45/15/834394515.db2.gz YDAJWAUQNCRNHA-XXBNENTESA-N 1 0 393.531 3.961 20 30 GHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000046155818 834466307 /nfs/dbraw/zinc/46/63/07/834466307.db2.gz UGJNZFHWOYCRNE-QGZVFWFLSA-N 1 0 393.487 3.816 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000176880654 837779491 /nfs/dbraw/zinc/77/94/91/837779491.db2.gz UNJQNPXWIUSLOS-CYBMUJFWSA-N 1 0 382.407 3.702 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCO1 ZINC000126842226 834530936 /nfs/dbraw/zinc/53/09/36/834530936.db2.gz XHZHTRDGEKWWLJ-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO C[NH+](C)Cc1ccnc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 ZINC000176908730 837785948 /nfs/dbraw/zinc/78/59/48/837785948.db2.gz KGIGYOHDSQNCNL-UHFFFAOYSA-N 1 0 386.455 3.846 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCSC1 ZINC000329814067 834618306 /nfs/dbraw/zinc/61/83/06/834618306.db2.gz NORMOYIFFFPIRE-NRFANRHFSA-N 1 0 399.564 3.650 20 30 GHEDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000577674288 834631324 /nfs/dbraw/zinc/63/13/24/834631324.db2.gz SWKINGLYQYZFPH-KRWDZBQOSA-N 1 0 379.529 3.922 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000052458209 834715889 /nfs/dbraw/zinc/71/58/89/834715889.db2.gz ZKMSYVNFIHVGLA-UHFFFAOYSA-N 1 0 378.520 3.998 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000176953667 837818301 /nfs/dbraw/zinc/81/83/01/837818301.db2.gz SVDYRWFJHUDKKA-ZDUSSCGKSA-N 1 0 376.323 3.998 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](Cc2cncs2)C2CCN(C(C)=O)CC2)cc1 ZINC000430194418 834939680 /nfs/dbraw/zinc/93/96/80/834939680.db2.gz VLEKDTNTEFKMMI-UHFFFAOYSA-N 1 0 385.533 3.721 20 30 GHEDRO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C2CC2)cc1 ZINC000329387735 834950176 /nfs/dbraw/zinc/95/01/76/834950176.db2.gz SYXDCZGVBMNOGC-IRLDBZIGSA-N 1 0 383.536 3.737 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1Cl ZINC000187073071 835001382 /nfs/dbraw/zinc/00/13/82/835001382.db2.gz KNGQPFSTCTUKTD-UHFFFAOYSA-N 1 0 383.879 3.822 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)c(C)c1)[n+]1cccc(CO)c1 ZINC000274760726 835101645 /nfs/dbraw/zinc/10/16/45/835101645.db2.gz JMKXQKLUIILKMR-UHFFFAOYSA-O 1 0 389.516 3.631 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)C2)ccc1OCc1cccc(C#N)c1 ZINC000610213763 835147659 /nfs/dbraw/zinc/14/76/59/835147659.db2.gz PNHBIUYASWYDFT-SFHVURJKSA-N 1 0 380.488 3.740 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CCC2CCOCC2)c1C#N ZINC000120376943 835241909 /nfs/dbraw/zinc/24/19/09/835241909.db2.gz RGMNXKYAIUNRHP-UHFFFAOYSA-N 1 0 386.540 3.779 20 30 GHEDRO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)ccc1Br ZINC000430227071 835264593 /nfs/dbraw/zinc/26/45/93/835264593.db2.gz ORQUCJXYINMMQD-KRWDZBQOSA-N 1 0 378.314 3.657 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2c(Br)cc(OC)cc2OC)CC1 ZINC000132320961 835317915 /nfs/dbraw/zinc/31/79/15/835317915.db2.gz ZJBDZPNZAHNJQW-UHFFFAOYSA-N 1 0 383.330 3.596 20 30 GHEDRO O=C(C[N@@H+]1CCC2(C1)CCCCC2)NCc1ccccc1CN1CCCC1=O ZINC000329620228 835448435 /nfs/dbraw/zinc/44/84/35/835448435.db2.gz RCDWBAZRZMNNJT-UHFFFAOYSA-N 1 0 383.536 3.922 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2CC)CC1 ZINC000191367026 835483820 /nfs/dbraw/zinc/48/38/20/835483820.db2.gz IWBVGOBKDAVLGE-UHFFFAOYSA-N 1 0 386.927 3.858 20 30 GHEDRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278589250 835485829 /nfs/dbraw/zinc/48/58/29/835485829.db2.gz GUFAKCAENPYMBK-LEWJYISDSA-N 1 0 381.524 3.932 20 30 GHEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278590937 835498198 /nfs/dbraw/zinc/49/81/98/835498198.db2.gz GUFAKCAENPYMBK-SFTDATJTSA-N 1 0 381.524 3.932 20 30 GHEDRO C=CCOCCC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000658209504 835510291 /nfs/dbraw/zinc/51/02/91/835510291.db2.gz GDJVLFPBIAFTOV-FQEVSTJZSA-N 1 0 377.481 3.501 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000548864874 835546221 /nfs/dbraw/zinc/54/62/21/835546221.db2.gz AGAXNGXTUORKRD-OAQYLSRUSA-N 1 0 387.483 3.532 20 30 GHEDRO N#CCCC[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000458795744 835575005 /nfs/dbraw/zinc/57/50/05/835575005.db2.gz CWVBTTLJKUEHMJ-QFIPXVFZSA-N 1 0 398.551 3.708 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000612131533 835581267 /nfs/dbraw/zinc/58/12/67/835581267.db2.gz YSBVGSIDYOWJIA-TZIWHRDSSA-N 1 0 383.536 3.687 20 30 GHEDRO CC[C@]1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)OCCc2ccccc21 ZINC000584105522 835653885 /nfs/dbraw/zinc/65/38/85/835653885.db2.gz CXJJWDNNKVAIDY-XMMPIXPASA-N 1 0 386.499 3.927 20 30 GHEDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C[C@H](C)C#N)C2CC2)C1 ZINC000584270870 835819935 /nfs/dbraw/zinc/81/99/35/835819935.db2.gz CSJVHWYIAYZKIJ-QGZVFWFLSA-N 1 0 378.520 3.558 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549675159 844098503 /nfs/dbraw/zinc/09/85/03/844098503.db2.gz CEVPWNXDSOYTRA-IBGZPJMESA-N 1 0 397.567 3.622 20 30 GHEDRO Cc1ccc(CC(C)(C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000419331587 844095787 /nfs/dbraw/zinc/09/57/87/844095787.db2.gz JHAJDPZWNBADOA-UHFFFAOYSA-N 1 0 387.487 3.602 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000430272636 835848353 /nfs/dbraw/zinc/84/83/53/835848353.db2.gz KKOAHZLSXIZENA-UHFFFAOYSA-N 1 0 393.535 3.658 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000102752219 835865065 /nfs/dbraw/zinc/86/50/65/835865065.db2.gz BZUBXHHBFWTAJR-DLBZAZTESA-N 1 0 381.476 3.580 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1C#N ZINC000102757673 835865741 /nfs/dbraw/zinc/86/57/41/835865741.db2.gz RSBZESYTXYKOBY-UHFFFAOYSA-N 1 0 380.517 3.909 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C2CC2)cc1 ZINC000419333871 844100961 /nfs/dbraw/zinc/10/09/61/844100961.db2.gz ISUUEMAGYUGYFF-MRXNPFEDSA-N 1 0 385.471 3.911 20 30 GHEDRO C[C@H](O)C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278784738 835922307 /nfs/dbraw/zinc/92/23/07/835922307.db2.gz ZMIJBNPZSWUQOE-GHTZIAJQSA-N 1 0 389.503 3.503 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000179692191 835942196 /nfs/dbraw/zinc/94/21/96/835942196.db2.gz VGAZQIZUYYYERO-HNNXBMFYSA-N 1 0 392.484 3.883 20 30 GHEDRO C=CCC1(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)CCCC1 ZINC000658723791 835955067 /nfs/dbraw/zinc/95/50/67/835955067.db2.gz PABPOYZGSHWDFL-QGZVFWFLSA-N 1 0 383.536 3.990 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000179748793 835966055 /nfs/dbraw/zinc/96/60/55/835966055.db2.gz LLMHOSWAXCAYIA-SFHVURJKSA-N 1 0 377.488 3.506 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C2CC2)cc1 ZINC000419333870 844109805 /nfs/dbraw/zinc/10/98/05/844109805.db2.gz ISUUEMAGYUGYFF-INIZCTEOSA-N 1 0 385.471 3.911 20 30 GHEDRO COCCOc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000179809085 836006788 /nfs/dbraw/zinc/00/67/88/836006788.db2.gz INDWABMOIUTYKM-UHFFFAOYSA-N 1 0 395.503 3.669 20 30 GHEDRO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(N(C)CCC#N)cc1 ZINC000154869130 836100824 /nfs/dbraw/zinc/10/08/24/836100824.db2.gz YSLTVGJHZFKKBA-UHFFFAOYSA-N 1 0 380.492 3.506 20 30 GHEDRO Cc1occc1C[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472427409 836183154 /nfs/dbraw/zinc/18/31/54/836183154.db2.gz DMCDGMRRIVIPAV-UHFFFAOYSA-N 1 0 394.475 3.980 20 30 GHEDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1C(C)C ZINC000065931142 836257448 /nfs/dbraw/zinc/25/74/48/836257448.db2.gz DLCFRFLBSTXLTQ-UHFFFAOYSA-N 1 0 393.531 3.959 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C2CCN(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000255867862 836282448 /nfs/dbraw/zinc/28/24/48/836282448.db2.gz YEQXLDLCWBBVCY-ULJHMMPZSA-N 1 0 379.504 3.962 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000246940346 836359788 /nfs/dbraw/zinc/35/97/88/836359788.db2.gz KQLUXWZLKSXUMY-FPOVZHCZSA-N 1 0 391.515 3.696 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)n1 ZINC000613426547 836359920 /nfs/dbraw/zinc/35/99/20/836359920.db2.gz ISXDSBSSWMTOJA-UHFFFAOYSA-N 1 0 382.537 3.795 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1)CC(F)(F)F ZINC000748095731 836496172 /nfs/dbraw/zinc/49/61/72/836496172.db2.gz UWGNYTHWTJXOLP-QGZVFWFLSA-N 1 0 391.441 3.585 20 30 GHEDRO Cc1c(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000328602438 836502903 /nfs/dbraw/zinc/50/29/03/836502903.db2.gz GXKYWPMIFUATPY-IBGZPJMESA-N 1 0 381.524 3.903 20 30 GHEDRO C[NH+](C)CCc1cccc(C(=O)N[C@H](C#N)c2ccccc2Br)c1 ZINC001167689632 836528457 /nfs/dbraw/zinc/52/84/57/836528457.db2.gz IHOHEWXZYDGFRU-GOSISDBHSA-N 1 0 386.293 3.548 20 30 GHEDRO C[C@@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)no1 ZINC000255054647 836578084 /nfs/dbraw/zinc/57/80/84/836578084.db2.gz ZWFAYHMFSXPYBR-CQSZACIVSA-N 1 0 384.461 3.746 20 30 GHEDRO N#CC1(CCC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)CCOCC1 ZINC000375607292 836600208 /nfs/dbraw/zinc/60/02/08/836600208.db2.gz LZBQHUYWMNNHQT-LJQANCHMSA-N 1 0 379.508 3.752 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000043329505 836630368 /nfs/dbraw/zinc/63/03/68/836630368.db2.gz GYNYVPOHLRBDKT-UHFFFAOYSA-N 1 0 391.519 3.591 20 30 GHEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000175589271 836724927 /nfs/dbraw/zinc/72/49/27/836724927.db2.gz CHWXIAWZHHQUFZ-AWEZNQCLSA-N 1 0 375.925 3.967 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(Br)cc(Cl)nc1Br ZINC001218210475 836749474 /nfs/dbraw/zinc/74/94/74/836749474.db2.gz DFBXNMXZJVGELI-QMMMGPOBSA-N 1 0 382.483 3.557 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180029409 836778066 /nfs/dbraw/zinc/77/80/66/836778066.db2.gz CKBZPBTYSBOGDP-NRFANRHFSA-N 1 0 389.503 3.869 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000180234852 836789637 /nfs/dbraw/zinc/78/96/37/836789637.db2.gz BRYGFKVNBWWKBE-SBUREZEXSA-N 1 0 399.498 3.899 20 30 GHEDRO COC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452030660 836825590 /nfs/dbraw/zinc/82/55/90/836825590.db2.gz OGCWEONRVANVTI-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2cccc(C#N)c2)CC1 ZINC000043454622 836850489 /nfs/dbraw/zinc/85/04/89/836850489.db2.gz FJQIAMKMVIHFBT-UHFFFAOYSA-N 1 0 397.910 3.675 20 30 GHEDRO CC(C)c1ccc(-c2noc([C@@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)cc1 ZINC001211640478 836887713 /nfs/dbraw/zinc/88/77/13/836887713.db2.gz JZXJKSUAOLEAGB-OAQYLSRUSA-N 1 0 387.487 3.726 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@H](C)CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238978 836920469 /nfs/dbraw/zinc/92/04/69/836920469.db2.gz JFWRJKKMPZMSKR-UWJYYQICSA-N 1 0 398.528 3.814 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000180293233 837023919 /nfs/dbraw/zinc/02/39/19/837023919.db2.gz ZRHJQYZYXCUMEE-JPYJTQIMSA-N 1 0 385.515 3.711 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000027072893 837025796 /nfs/dbraw/zinc/02/57/96/837025796.db2.gz FDFYWRKGBBWCLY-GOSISDBHSA-O 1 0 383.537 3.607 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000247191376 837155532 /nfs/dbraw/zinc/15/55/32/837155532.db2.gz LDDVSUUSMGRQLR-PXNSSMCTSA-N 1 0 386.540 3.746 20 30 GHEDRO N#Cc1ccncc1N1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000580027082 837204049 /nfs/dbraw/zinc/20/40/49/837204049.db2.gz LUEMTOMDQAWJIV-HNQUOIGGSA-N 1 0 397.320 3.941 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)ccc1OCC(C)C ZINC000180086563 837237094 /nfs/dbraw/zinc/23/70/94/837237094.db2.gz UONFATSYWLUSKM-MRXNPFEDSA-N 1 0 381.476 3.891 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)CC1 ZINC000471356490 837353782 /nfs/dbraw/zinc/35/37/82/837353782.db2.gz IQMNNYAJDZWPTO-UHFFFAOYSA-N 1 0 387.524 3.733 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000177041451 837850450 /nfs/dbraw/zinc/85/04/50/837850450.db2.gz XVAMOOWTBKESBR-HSZRJFAPSA-N 1 0 391.515 3.616 20 30 GHEDRO Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC000415685833 837987762 /nfs/dbraw/zinc/98/77/62/837987762.db2.gz COERSUVCNAXSGE-IBGZPJMESA-N 1 0 376.504 3.783 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)n2c1 ZINC000188935862 837997086 /nfs/dbraw/zinc/99/70/86/837997086.db2.gz YJYPAMPFSKVFSM-OAHLLOKOSA-N 1 0 386.286 3.881 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000165413647 838080944 /nfs/dbraw/zinc/08/09/44/838080944.db2.gz LVOPOTDXLIZACF-OAQYLSRUSA-N 1 0 391.515 3.696 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000415801043 838125863 /nfs/dbraw/zinc/12/58/63/838125863.db2.gz FQIAYXXYPKGGOV-UHFFFAOYSA-N 1 0 396.329 3.867 20 30 GHEDRO CCc1ccc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000893115687 838147526 /nfs/dbraw/zinc/14/75/26/838147526.db2.gz PGBJHTQGAGJZCY-UHFFFAOYSA-N 1 0 377.488 3.536 20 30 GHEDRO N#CC1(COC(=O)[C@H]2CCOC3(CCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000893115718 838147969 /nfs/dbraw/zinc/14/79/69/838147969.db2.gz QJFYDUDBJLJIHR-FQEVSTJZSA-N 1 0 382.504 3.685 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000023675219 838172941 /nfs/dbraw/zinc/17/29/41/838172941.db2.gz KZXJGXVQXJKRAI-HYBUGGRVSA-N 1 0 397.515 3.913 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)CC2)cc1 ZINC000189438300 838270188 /nfs/dbraw/zinc/27/01/88/838270188.db2.gz KDACAWBZAMECRC-UHFFFAOYSA-N 1 0 387.527 3.757 20 30 GHEDRO CC(C)(C)[C@@H](CCO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000181475187 838506889 /nfs/dbraw/zinc/50/68/89/838506889.db2.gz MZXZMJNQNMXTOP-QGZVFWFLSA-N 1 0 377.554 3.604 20 30 GHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610343584 838571427 /nfs/dbraw/zinc/57/14/27/838571427.db2.gz LSZLMPRYHOJBBD-JKSUJKDBSA-N 1 0 379.460 3.801 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610346601 838586297 /nfs/dbraw/zinc/58/62/97/838586297.db2.gz YHPMKJTVTGMXJX-SJORKVTESA-N 1 0 376.460 3.553 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000180543207 838606346 /nfs/dbraw/zinc/60/63/46/838606346.db2.gz NNVFYPNOQYGHDS-SFHVURJKSA-N 1 0 378.520 3.975 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c(C(F)(F)F)c1 ZINC000414536773 838614212 /nfs/dbraw/zinc/61/42/12/838614212.db2.gz XZXNBYWNKLSZJN-KRWDZBQOSA-N 1 0 377.341 3.611 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000549117966 838663839 /nfs/dbraw/zinc/66/38/39/838663839.db2.gz PIAPDZDBLARWTB-FHWLQOOXSA-N 1 0 393.934 3.770 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610358084 838664900 /nfs/dbraw/zinc/66/49/00/838664900.db2.gz YHABKMIVJDGOFO-RTBURBONSA-N 1 0 376.504 3.925 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000471521274 838685853 /nfs/dbraw/zinc/68/58/53/838685853.db2.gz IKPXXCHRGMMXOL-UHFFFAOYSA-N 1 0 393.531 3.807 20 30 GHEDRO CCCC[NH+](CCCC)CCNc1ccc(CN2CCS/C2=N\C#N)cn1 ZINC001167733444 838726353 /nfs/dbraw/zinc/72/63/53/838726353.db2.gz VOKNXCXEYBCDIW-GFMRDNFCSA-N 1 0 388.585 3.782 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000378333541 838888836 /nfs/dbraw/zinc/88/88/36/838888836.db2.gz JPFINKDBRDUKCU-UHFFFAOYSA-N 1 0 396.535 3.593 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000560997684 838902139 /nfs/dbraw/zinc/90/21/39/838902139.db2.gz MDXSCFMNXOMOGH-QAPCUYQASA-N 1 0 380.423 3.705 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)NCC#Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000511519042 838950676 /nfs/dbraw/zinc/95/06/76/838950676.db2.gz BHYQAYOCKXTLBZ-PGRDOPGGSA-N 1 0 379.479 3.530 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000579469163 838986126 /nfs/dbraw/zinc/98/61/26/838986126.db2.gz RUZOXMWRNUICGR-UZLBHIALSA-N 1 0 394.519 3.758 20 30 GHEDRO COc1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1OCC[NH+](C)C ZINC000416335234 838986738 /nfs/dbraw/zinc/98/67/38/838986738.db2.gz UCEMNLLPNAGQKL-UHFFFAOYSA-N 1 0 399.466 3.563 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419371046 844395820 /nfs/dbraw/zinc/39/58/20/844395820.db2.gz IJZNSGSGVPABMO-QGZVFWFLSA-N 1 0 388.581 3.683 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cccc(C#N)c1 ZINC000290266534 839106403 /nfs/dbraw/zinc/10/64/03/839106403.db2.gz VRZULQZRPBMJAA-INIZCTEOSA-N 1 0 388.471 3.778 20 30 GHEDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000415075344 839163532 /nfs/dbraw/zinc/16/35/32/839163532.db2.gz BLIXKKXOBXSGED-QGZVFWFLSA-N 1 0 382.464 3.998 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000415088397 839189357 /nfs/dbraw/zinc/18/93/57/839189357.db2.gz VAAQWUAYKBMUQZ-HNAYVOBHSA-N 1 0 394.475 3.950 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415129718 839257091 /nfs/dbraw/zinc/25/70/91/839257091.db2.gz VKSHAZXDSLLWMP-FQEVSTJZSA-N 1 0 380.492 3.941 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000579627326 839516756 /nfs/dbraw/zinc/51/67/56/839516756.db2.gz VSAGYGGWEHTAIH-BTYIYWSLSA-N 1 0 383.517 3.537 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000561121790 839566191 /nfs/dbraw/zinc/56/61/91/839566191.db2.gz PPQKNROFSCVYAN-UHFFFAOYSA-N 1 0 379.464 3.893 20 30 GHEDRO C=C(C)Cn1c(C(C)C)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549251781 839590630 /nfs/dbraw/zinc/59/06/30/839590630.db2.gz AWVMHGSFXJAGDY-OALUTQOASA-N 1 0 389.588 3.693 20 30 GHEDRO CC[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000415403807 839724600 /nfs/dbraw/zinc/72/46/00/839724600.db2.gz SJYNSHNYSDYFAF-NRFANRHFSA-N 1 0 379.479 3.994 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1Cl ZINC000583769033 839765791 /nfs/dbraw/zinc/76/57/91/839765791.db2.gz LMZWCUIDWSMACQ-QFIPXVFZSA-N 1 0 379.891 3.950 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCC[C@@H]2COC(=O)N2CCCCC2)CCOCC1 ZINC000367608216 839887813 /nfs/dbraw/zinc/88/78/13/839887813.db2.gz QUIDGEMQAHZAKB-LJQANCHMSA-N 1 0 377.529 3.564 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000580734513 840086949 /nfs/dbraw/zinc/08/69/49/840086949.db2.gz RQGANPDVDSBZGV-WZONZLPQSA-N 1 0 388.515 3.895 20 30 GHEDRO [NH2+]=C(NCCc1cnn(-c2ccccc2)c1)Nc1ccccc1OC(F)(F)F ZINC000160632020 840171658 /nfs/dbraw/zinc/17/16/58/840171658.db2.gz FECPKCZFBHBTFM-UHFFFAOYSA-N 1 0 389.381 3.740 20 30 GHEDRO C[C@H]([NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000511593953 840328733 /nfs/dbraw/zinc/32/87/33/840328733.db2.gz MZKIDKLBPTXBQJ-LRDDRELGSA-N 1 0 381.398 3.577 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3ccc4cc(C#N)c(C#N)cc4c3)cc2)CC1 ZINC001167437117 840355806 /nfs/dbraw/zinc/35/58/06/840355806.db2.gz LHVFXJJJRCLACC-UHFFFAOYSA-N 1 0 381.483 3.947 20 30 GHEDRO C[C@](CO)([NH2+]CCCOc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000511597818 840387132 /nfs/dbraw/zinc/38/71/32/840387132.db2.gz VVQTXEAMJHUHRV-LJQANCHMSA-N 1 0 389.293 3.587 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418525163 840407211 /nfs/dbraw/zinc/40/72/11/840407211.db2.gz XNBLVIONYDHEEH-UHFFFAOYSA-N 1 0 398.320 3.676 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000584688840 840561055 /nfs/dbraw/zinc/56/10/55/840561055.db2.gz LPOTYDHQCDAEQE-DVECYGJZSA-N 1 0 389.499 3.791 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NCc2cnc3n2CCCC3)cc1 ZINC000573468474 844560428 /nfs/dbraw/zinc/56/04/28/844560428.db2.gz YLTFTLYKSWPHQQ-UHFFFAOYSA-N 1 0 386.455 3.600 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000660500770 840674906 /nfs/dbraw/zinc/67/49/06/840674906.db2.gz RIRIVADQLOSUNF-OYRHEFFESA-N 1 0 383.536 3.800 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511774032 840707304 /nfs/dbraw/zinc/70/73/04/840707304.db2.gz PBPSQXFHSURYRC-JLLPCOHGSA-N 1 0 393.527 3.659 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)[NH+]1CCCC1 ZINC000573491696 844568656 /nfs/dbraw/zinc/56/86/56/844568656.db2.gz CMMQIILMUCVVFG-LJQANCHMSA-N 1 0 382.439 3.665 20 30 GHEDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000584749713 840750839 /nfs/dbraw/zinc/75/08/39/840750839.db2.gz XSJXUTVVPNTXCJ-MRXNPFEDSA-N 1 0 375.394 3.954 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000610491045 840974618 /nfs/dbraw/zinc/97/46/18/840974618.db2.gz HYVUNGNJUONLCF-LJQANCHMSA-N 1 0 377.513 3.924 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000157010693 840991998 /nfs/dbraw/zinc/99/19/98/840991998.db2.gz SEWMYIQHHPPMDE-QGZVFWFLSA-N 1 0 378.505 3.504 20 30 GHEDRO COc1cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000134425888 841057759 /nfs/dbraw/zinc/05/77/59/841057759.db2.gz SQCYLYFPSMHTPU-QFIPXVFZSA-N 1 0 382.504 3.985 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(OCc2ccccc2C#N)c1)C[C@@H]1CCCO1 ZINC000584846392 841060387 /nfs/dbraw/zinc/06/03/87/841060387.db2.gz IPIHJGYPIAHTOU-DEOSSOPVSA-N 1 0 393.531 3.680 20 30 GHEDRO CN(C(=O)Nc1cnc(C#N)c(Cl)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000584847920 841066218 /nfs/dbraw/zinc/06/62/18/841066218.db2.gz ZKQPAHYIRXDXBQ-UHFFFAOYSA-N 1 0 399.882 3.750 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000581357492 841161601 /nfs/dbraw/zinc/16/16/01/841161601.db2.gz BCGXFEORQQWBAA-ROUUACIJSA-N 1 0 376.460 3.732 20 30 GHEDRO C[C@H](Oc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000468979921 844633715 /nfs/dbraw/zinc/63/37/15/844633715.db2.gz NOZKMBPXYVJCQI-INIZCTEOSA-N 1 0 385.895 3.569 20 30 GHEDRO CC(=O)Nc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)cc1 ZINC000027183330 841349598 /nfs/dbraw/zinc/34/95/98/841349598.db2.gz WVQKOAALKMBXFK-UHFFFAOYSA-O 1 0 390.488 3.983 20 30 GHEDRO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599450472 861199677 /nfs/dbraw/zinc/19/96/77/861199677.db2.gz HGMDZUXHCAPDTN-UXHICEINSA-N 1 0 376.928 3.808 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000661115458 841410666 /nfs/dbraw/zinc/41/06/66/841410666.db2.gz CKMMWHRPBJTLJG-ZFWWWQNUSA-N 1 0 376.302 3.649 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cnc1N1CCCC[C@@H]1C ZINC000329249949 861201939 /nfs/dbraw/zinc/20/19/39/861201939.db2.gz UBEMFTYTLWZNGH-NSHGMRRFSA-N 1 0 385.556 3.873 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000328792167 841457687 /nfs/dbraw/zinc/45/76/87/841457687.db2.gz ADWSIFTVKSDDOE-UHFFFAOYSA-N 1 0 395.551 3.628 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000500144208 841521122 /nfs/dbraw/zinc/52/11/22/841521122.db2.gz LKPVLGJRDIGHJT-HXUWFJFHSA-N 1 0 389.588 3.920 20 30 GHEDRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000418145804 841567000 /nfs/dbraw/zinc/56/70/00/841567000.db2.gz ODGPWAKBQVYCOZ-HXUWFJFHSA-N 1 0 398.503 3.577 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661323902 841629146 /nfs/dbraw/zinc/62/91/46/841629146.db2.gz AGDCINOPMKCPQH-QHCPKHFHSA-N 1 0 392.547 3.780 20 30 GHEDRO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000555553076 861225484 /nfs/dbraw/zinc/22/54/84/861225484.db2.gz AKPIQFAUCYBFJV-INIZCTEOSA-N 1 0 396.454 3.704 20 30 GHEDRO C=CC[C@@]1(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CCC[NH2+]1 ZINC000662822653 841709131 /nfs/dbraw/zinc/70/91/31/841709131.db2.gz MLUHZGPNADEEKA-IBGZPJMESA-N 1 0 375.925 3.821 20 30 GHEDRO C=CC[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000320985608 841784960 /nfs/dbraw/zinc/78/49/60/841784960.db2.gz IHZRKDRXKLJERO-GFCCVEGCSA-N 1 0 393.119 3.637 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cnc3ccc(C#N)cn23)CCCCC1 ZINC000123541893 841793125 /nfs/dbraw/zinc/79/31/25/841793125.db2.gz GJSHJNBKEOZVAV-UHFFFAOYSA-N 1 0 383.496 3.523 20 30 GHEDRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329289714 861249853 /nfs/dbraw/zinc/24/98/53/861249853.db2.gz MZPKDXTYPDGBLC-SFHVURJKSA-N 1 0 385.508 3.876 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000477270238 841931673 /nfs/dbraw/zinc/93/16/73/841931673.db2.gz FCWZWAKULBAUQK-UHFFFAOYSA-N 1 0 381.432 3.779 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)o1 ZINC000603837589 861253342 /nfs/dbraw/zinc/25/33/42/861253342.db2.gz WEWBXSBWDYKFBY-PERKRYKHSA-N 1 0 380.488 3.873 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000482138057 842032201 /nfs/dbraw/zinc/03/22/01/842032201.db2.gz BDRWYUYDNKFYMB-AEFFLSMTSA-N 1 0 376.932 3.640 20 30 GHEDRO O=C(CCC(=O)N1CCSc2ccccc21)NC1CC[NH+](CC2CC2)CC1 ZINC000329310493 861275280 /nfs/dbraw/zinc/27/52/80/861275280.db2.gz POJAQDAMMPGHGV-UHFFFAOYSA-N 1 0 387.549 3.736 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1OCC ZINC000432354913 842156407 /nfs/dbraw/zinc/15/64/07/842156407.db2.gz AYLJZKOZEKMTJA-XJKSGUPXSA-N 1 0 384.314 3.927 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000569936280 842241451 /nfs/dbraw/zinc/24/14/51/842241451.db2.gz CZUUABPSVRTFKT-RBZQAINGSA-N 1 0 376.500 3.977 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661863402 842248381 /nfs/dbraw/zinc/24/83/81/842248381.db2.gz HNVFUYHEXBONJS-XLIONFOSSA-N 1 0 376.566 3.932 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 ZINC000329336841 861299363 /nfs/dbraw/zinc/29/93/63/861299363.db2.gz MCLQFGNRJZORFU-SXLOBPIMSA-N 1 0 385.556 3.873 20 30 GHEDRO CCO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000120409230 842375456 /nfs/dbraw/zinc/37/54/56/842375456.db2.gz DYMQOHFXZAMHEM-QGZVFWFLSA-N 1 0 384.549 3.820 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000555591108 861324383 /nfs/dbraw/zinc/32/43/83/861324383.db2.gz HUYVIKKJKAUOFM-OAHLLOKOSA-N 1 0 377.423 3.562 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+](C3CCC3)CC2)c1C#N ZINC000265133133 842656079 /nfs/dbraw/zinc/65/60/79/842656079.db2.gz NRSJFVJPSQRGCJ-UHFFFAOYSA-N 1 0 397.567 3.590 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107600687 842727752 /nfs/dbraw/zinc/72/77/52/842727752.db2.gz RMQUTTRYAVOEEV-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C=CCN1C(=O)N(CCC[N@@H+](C)Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000430774261 842966229 /nfs/dbraw/zinc/96/62/29/842966229.db2.gz DFJJAPYLTWDUSN-JOCHJYFZSA-N 1 0 391.515 3.570 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CC1(O)CCCCCC1 ZINC000187334743 842998647 /nfs/dbraw/zinc/99/86/47/842998647.db2.gz JGGDCUSDISLGMZ-KRWDZBQOSA-N 1 0 389.565 3.894 20 30 GHEDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1)c1ccccc1 ZINC000430868491 843100233 /nfs/dbraw/zinc/10/02/33/843100233.db2.gz NTTOTLSVLCGIEN-HXUWFJFHSA-N 1 0 377.488 3.854 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000549658401 843138952 /nfs/dbraw/zinc/13/89/52/843138952.db2.gz UWEVEGJAYIDIEL-UHFFFAOYSA-N 1 0 388.519 3.601 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000510673246 843166858 /nfs/dbraw/zinc/16/68/58/843166858.db2.gz ACRGNBGJFYDTOK-QFBILLFUSA-N 1 0 378.476 3.914 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc(OC)c1O ZINC000091685814 843328686 /nfs/dbraw/zinc/32/86/86/843328686.db2.gz ZMLWLAUNLBVXJW-IBGZPJMESA-N 1 0 395.503 3.683 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000548417099 843336605 /nfs/dbraw/zinc/33/66/05/843336605.db2.gz UKTDQAVULZMTMZ-AUUYWEPGSA-N 1 0 389.833 3.913 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCc3ccccc3C2)c(OC)c1 ZINC000512315404 843367141 /nfs/dbraw/zinc/36/71/41/843367141.db2.gz TZPGIJVDTYXETJ-FCHUYYIVSA-N 1 0 381.516 3.653 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCc3ccccc3C2)c(OC)c1 ZINC000512315406 843367230 /nfs/dbraw/zinc/36/72/30/843367230.db2.gz TZPGIJVDTYXETJ-VXKWHMMOSA-N 1 0 381.516 3.653 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)c(OC)c1 ZINC000512315405 843367449 /nfs/dbraw/zinc/36/74/49/843367449.db2.gz TZPGIJVDTYXETJ-FGZHOGPDSA-N 1 0 381.516 3.653 20 30 GHEDRO C[NH+](C)C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000599626783 861413564 /nfs/dbraw/zinc/41/35/64/861413564.db2.gz HBCDZQNXNCEMCR-GOSISDBHSA-N 1 0 391.302 3.696 20 30 GHEDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000543837327 843447010 /nfs/dbraw/zinc/44/70/10/843447010.db2.gz ZCNUQDFOTQKUFX-HXUWFJFHSA-N 1 0 385.895 3.527 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000329432940 861418485 /nfs/dbraw/zinc/41/84/85/861418485.db2.gz KSCULHWQNLQYOH-LJQANCHMSA-N 1 0 375.488 3.917 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329433319 861419775 /nfs/dbraw/zinc/41/97/75/861419775.db2.gz IMAVBOLKPQGMAN-JNEKLRAESA-N 1 0 387.568 3.635 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1ccccc1CN(C)Cc1ccco1 ZINC000178583355 843483020 /nfs/dbraw/zinc/48/30/20/843483020.db2.gz FUQZSPCFYNTISB-UHFFFAOYSA-N 1 0 392.503 3.525 20 30 GHEDRO [NH3+]C1(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1 ZINC000662646700 843490875 /nfs/dbraw/zinc/49/08/75/843490875.db2.gz MNCAKEAALWKQGL-UHFFFAOYSA-N 1 0 386.311 3.977 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000162119234 861434035 /nfs/dbraw/zinc/43/40/35/861434035.db2.gz PHYIGEFSLBOURW-LSDHHAIUSA-N 1 0 391.899 3.594 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000176050899 843609713 /nfs/dbraw/zinc/60/97/13/843609713.db2.gz FCPUEWKJEZARPV-UHFFFAOYSA-N 1 0 380.492 3.907 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)c1 ZINC000599642430 861439072 /nfs/dbraw/zinc/43/90/72/861439072.db2.gz TUHHSMZRPARSLY-UHFFFAOYSA-N 1 0 380.492 3.932 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[NH2+]1 ZINC000418597652 843654637 /nfs/dbraw/zinc/65/46/37/843654637.db2.gz HUQOCFQUYZSCRZ-IIBYNOLFSA-N 1 0 380.467 3.550 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2nc(C)no2)C1 ZINC000329459497 861462196 /nfs/dbraw/zinc/46/21/96/861462196.db2.gz RQMKBLZQPFWXRL-IAGOWNOFSA-N 1 0 377.533 3.720 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C#N)CCc3ccccc3)cc2)CC1 ZINC000433223127 843882906 /nfs/dbraw/zinc/88/29/06/843882906.db2.gz MMSODEOQUOGSCX-JOCHJYFZSA-N 1 0 390.531 3.535 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000731112478 861473263 /nfs/dbraw/zinc/47/32/63/861473263.db2.gz JXWPUCDHVLNEMS-JOCHJYFZSA-N 1 0 377.488 3.966 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000512896511 843947029 /nfs/dbraw/zinc/94/70/29/843947029.db2.gz OBLHZBSUYJIEHR-JOCHJYFZSA-N 1 0 394.519 3.790 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)cc1 ZINC000731113896 861473987 /nfs/dbraw/zinc/47/39/87/861473987.db2.gz XDSLDZYZSQTLCH-QFIPXVFZSA-N 1 0 395.503 3.912 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000731118553 861477662 /nfs/dbraw/zinc/47/76/62/861477662.db2.gz ARQMQRQBLMPNEQ-LEWJYISDSA-N 1 0 380.621 3.795 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(F)c(F)c1 ZINC000047011080 844680146 /nfs/dbraw/zinc/68/01/46/844680146.db2.gz CFOTWOXSQGBCRU-UHFFFAOYSA-N 1 0 389.471 3.519 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000047010382 844680541 /nfs/dbraw/zinc/68/05/41/844680541.db2.gz DKZZMIHQCPSKER-UHFFFAOYSA-N 1 0 389.421 3.710 20 30 GHEDRO Cc1c2cccc(F)c2oc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047011417 844681226 /nfs/dbraw/zinc/68/12/26/844681226.db2.gz XCIHMOYLJCVKNS-UHFFFAOYSA-N 1 0 379.435 3.956 20 30 GHEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000614159922 844789016 /nfs/dbraw/zinc/78/90/16/844789016.db2.gz WWLZQVNDBNTJIT-UHFFFAOYSA-N 1 0 379.479 3.975 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cnc4c(c3)CCCC4)CC2)cc1 ZINC000329477025 861497896 /nfs/dbraw/zinc/49/78/96/861497896.db2.gz UJIBOKKHOJCFGF-UHFFFAOYSA-N 1 0 394.519 3.722 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000329478362 861500027 /nfs/dbraw/zinc/50/00/27/861500027.db2.gz OQCNZKIOLOWCEZ-MSYGRNIXSA-N 1 0 399.579 3.958 20 30 GHEDRO C=C(C)C[N@@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000181247995 844840811 /nfs/dbraw/zinc/84/08/11/844840811.db2.gz BXHJWUCQXRDXSC-OAQYLSRUSA-N 1 0 391.515 3.933 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000512636774 844852333 /nfs/dbraw/zinc/85/23/33/844852333.db2.gz OABBDKPXCOQKMX-SWLSCSKDSA-N 1 0 382.357 3.807 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512640885 844866917 /nfs/dbraw/zinc/86/69/17/844866917.db2.gz BEIMMOKRDBCQPO-QGZVFWFLSA-N 1 0 379.479 3.972 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1O ZINC000178866617 844892281 /nfs/dbraw/zinc/89/22/81/844892281.db2.gz KTHLODJBUCMACX-UHFFFAOYSA-N 1 0 386.517 3.585 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000329484242 861517467 /nfs/dbraw/zinc/51/74/67/861517467.db2.gz SFKQREVSCUZXSH-BXUZGUMPSA-N 1 0 382.386 3.951 20 30 GHEDRO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1C ZINC000433035486 845007905 /nfs/dbraw/zinc/00/79/05/845007905.db2.gz MOCADVSJEBYTMN-FQEVSTJZSA-N 1 0 378.476 3.976 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000329489591 861522838 /nfs/dbraw/zinc/52/28/38/861522838.db2.gz UWAYNVZFQMRQIR-DGCLKSJQSA-N 1 0 382.386 3.951 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000673731883 861528049 /nfs/dbraw/zinc/52/80/49/861528049.db2.gz UQVFSVDIYWMLOI-QGZVFWFLSA-N 1 0 396.516 3.531 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)cc2C)CC1 ZINC000433609643 845085884 /nfs/dbraw/zinc/08/58/84/845085884.db2.gz VEWQOMNFUMCAJM-UHFFFAOYSA-N 1 0 394.357 3.939 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(C#N)c3C)CC[N@@H+]2C2CC2)c1 ZINC000512707715 845102742 /nfs/dbraw/zinc/10/27/42/845102742.db2.gz JIJIKIPAXGVDTE-FCHUYYIVSA-N 1 0 375.472 3.583 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)cc1OC ZINC000673749294 861550589 /nfs/dbraw/zinc/55/05/89/861550589.db2.gz GIBCJGVHDIGKAF-IBGZPJMESA-N 1 0 394.515 3.997 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000121278402 845347440 /nfs/dbraw/zinc/34/74/40/845347440.db2.gz LLXZLXHVGYOCAO-SFHVURJKSA-N 1 0 389.496 3.779 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)c(F)c1 ZINC000512806646 845584193 /nfs/dbraw/zinc/58/41/93/845584193.db2.gz XJWKQVGPADGVBN-UHFFFAOYSA-N 1 0 376.435 3.926 20 30 GHEDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@]12CCCO2 ZINC000329522711 861587563 /nfs/dbraw/zinc/58/75/63/861587563.db2.gz PMBHOMLCSCUKQK-KHHDVDEJSA-N 1 0 390.499 3.721 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CCCC1 ZINC000513532616 845630272 /nfs/dbraw/zinc/63/02/72/845630272.db2.gz FCXWGBSGTOVAOY-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2ccc(C(C)(C)C)cc2)c1C#N ZINC000892069507 845658113 /nfs/dbraw/zinc/65/81/13/845658113.db2.gz LVTZGHKQEKMGCZ-UHFFFAOYSA-N 1 0 399.564 3.603 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccnc(OC3CCCCC3)c2)cc1OC ZINC000104183967 845809854 /nfs/dbraw/zinc/80/98/54/845809854.db2.gz DDNRSIDXWVIYTQ-UHFFFAOYSA-N 1 0 384.480 3.737 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccc(Br)s1)C(C)C ZINC000511047552 845932697 /nfs/dbraw/zinc/93/26/97/845932697.db2.gz OMCQMNKZEHSRMH-OAHLLOKOSA-N 1 0 385.371 3.868 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000539243490 846020073 /nfs/dbraw/zinc/02/00/73/846020073.db2.gz LVZIJHXTTKZQPQ-UHFFFAOYSA-N 1 0 394.471 3.776 20 30 GHEDRO CC(C)Oc1cc(C[N@H+](CCC(=O)Nc2sccc2C#N)C2CC2)ccn1 ZINC000131740096 861636381 /nfs/dbraw/zinc/63/63/81/861636381.db2.gz REDSVEVDKAOAHP-UHFFFAOYSA-N 1 0 384.505 3.795 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000604036041 861654652 /nfs/dbraw/zinc/65/46/52/861654652.db2.gz POCBLYOASAMSMY-ROUUACIJSA-N 1 0 397.544 3.515 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000502634484 846275821 /nfs/dbraw/zinc/27/58/21/846275821.db2.gz DSZIQXFNUIHNBH-QLFBSQMISA-N 1 0 375.538 3.620 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000280514523 846431418 /nfs/dbraw/zinc/43/14/18/846431418.db2.gz DIZWOKCUHXVQNI-DLBZAZTESA-N 1 0 384.785 3.587 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc2c(c1)OCO2 ZINC000119879581 846438273 /nfs/dbraw/zinc/43/82/73/846438273.db2.gz KGGBOYAMCLNYFI-CYBMUJFWSA-N 1 0 397.500 3.907 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC2(c3ccc(OC)c(OC)c3)CCCCC2)nn1 ZINC000657361218 846527651 /nfs/dbraw/zinc/52/76/51/846527651.db2.gz IDLBIKRRIUMGGQ-UHFFFAOYSA-N 1 0 384.524 3.863 20 30 GHEDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000421841134 846631059 /nfs/dbraw/zinc/63/10/59/846631059.db2.gz JUQHAPPTRMKION-AUUYWEPGSA-N 1 0 383.879 3.672 20 30 GHEDRO C[NH+]=C(NCc1scnc1C)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000261809772 846697062 /nfs/dbraw/zinc/69/70/62/846697062.db2.gz SJYUEYGUOTUQNX-HNNXBMFYSA-N 1 0 398.454 3.619 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC000434111170 846717260 /nfs/dbraw/zinc/71/72/60/846717260.db2.gz JWGMLMVWUBCNMD-HXUWFJFHSA-N 1 0 393.934 3.773 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000582271054 846767902 /nfs/dbraw/zinc/76/79/02/846767902.db2.gz HNPPGSZJVBXASW-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO COc1cc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c(F)cc1C#N ZINC000599818154 861720030 /nfs/dbraw/zinc/72/00/30/861720030.db2.gz VEKZQVSAESAZNI-UHFFFAOYSA-N 1 0 396.466 3.834 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000414567482 846811104 /nfs/dbraw/zinc/81/11/04/846811104.db2.gz YGELDVAFRSWNPL-QFIPXVFZSA-N 1 0 387.487 3.902 20 30 GHEDRO COc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c(F)cc1C#N ZINC000599818899 861724989 /nfs/dbraw/zinc/72/49/89/861724989.db2.gz ANPOKEOVGZJJOT-UHFFFAOYSA-N 1 0 382.439 3.623 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2C)[NH+]2CCCC2)cc1 ZINC000178576493 847189064 /nfs/dbraw/zinc/18/90/64/847189064.db2.gz OHKXYKMTHCADEC-NRFANRHFSA-N 1 0 378.476 3.834 20 30 GHEDRO N#Cc1csc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000183814908 847203771 /nfs/dbraw/zinc/20/37/71/847203771.db2.gz CLIAXTCVSLDZLE-AWEZNQCLSA-N 1 0 379.407 3.529 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511124821 847230002 /nfs/dbraw/zinc/23/00/02/847230002.db2.gz MLCAVXKMJGBTND-RDJZCZTQSA-N 1 0 381.442 3.893 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511126544 847257162 /nfs/dbraw/zinc/25/71/62/847257162.db2.gz YOBGTXSOTKGRFC-IBGZPJMESA-N 1 0 381.442 3.972 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000329611435 861772565 /nfs/dbraw/zinc/77/25/65/861772565.db2.gz RJHBGSFMRAKNDR-UFYCRDLUSA-N 1 0 385.556 3.693 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc(C#N)s2)[NH+](C)C)cc1 ZINC000422205083 847457529 /nfs/dbraw/zinc/45/75/29/847457529.db2.gz OKKIVSIGIWNRLK-IBGZPJMESA-N 1 0 386.521 3.509 20 30 GHEDRO CC(C)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)C[NH+]1CCCC1 ZINC000481602613 861803712 /nfs/dbraw/zinc/80/37/12/861803712.db2.gz GMAWGJVPHNGPMN-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](CCO)CC3)sc2C1 ZINC000421013319 847611140 /nfs/dbraw/zinc/61/11/40/847611140.db2.gz JGFQHIFSXIFMCW-CVEARBPZSA-N 1 0 389.565 3.558 20 30 GHEDRO COc1cc(C#N)ccc1C[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000502242281 847631821 /nfs/dbraw/zinc/63/18/21/847631821.db2.gz LARSFBILUBDJFI-UHFFFAOYSA-N 1 0 379.382 3.928 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000503382918 847655706 /nfs/dbraw/zinc/65/57/06/847655706.db2.gz FCMHYMXFFHFBLD-LJQANCHMSA-N 1 0 375.561 3.672 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC000503411616 847675590 /nfs/dbraw/zinc/67/55/90/847675590.db2.gz PNGCNGTVCAMXQH-NHCUHLMSSA-N 1 0 389.515 3.607 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000522496200 861832904 /nfs/dbraw/zinc/83/29/04/861832904.db2.gz FPDLOPFPHARZMF-QZTJIDSGSA-N 1 0 377.488 3.667 20 30 GHEDRO COc1cccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c1OC(F)F ZINC000582633747 847878824 /nfs/dbraw/zinc/87/88/24/847878824.db2.gz YBUMVAHLYAEZJE-UHFFFAOYSA-N 1 0 376.403 3.817 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421323449 847945382 /nfs/dbraw/zinc/94/53/82/847945382.db2.gz AOTRZRVXWPKDRF-INIZCTEOSA-N 1 0 383.467 3.843 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000582694377 848051913 /nfs/dbraw/zinc/05/19/13/848051913.db2.gz MRYRVJHDGPKFPW-TZIWHRDSSA-N 1 0 397.567 3.826 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000329097644 848130750 /nfs/dbraw/zinc/13/07/50/848130750.db2.gz YPPGYDJKJDUEFL-IERDGZPVSA-N 1 0 389.927 3.891 20 30 GHEDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000135568398 848144286 /nfs/dbraw/zinc/14/42/86/848144286.db2.gz CJWOEKQIMUSEAQ-KRWDZBQOSA-N 1 0 397.548 3.570 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000153380978 848346048 /nfs/dbraw/zinc/34/60/48/848346048.db2.gz BVMRKIDHQZWPKL-VGOFRKELSA-N 1 0 378.472 3.667 20 30 GHEDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CCCC1 ZINC000119892356 848458869 /nfs/dbraw/zinc/45/88/69/848458869.db2.gz IUICOXDIYDGMIK-QHCPKHFHSA-N 1 0 392.547 3.972 20 30 GHEDRO COc1cc(OC)c(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c(OC)c1 ZINC000582994193 848842287 /nfs/dbraw/zinc/84/22/87/848842287.db2.gz PEXVAEBATIERCC-UHFFFAOYSA-N 1 0 394.393 3.935 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000582994675 848843406 /nfs/dbraw/zinc/84/34/06/848843406.db2.gz MYTBRCDMMWYVEW-INIZCTEOSA-N 1 0 396.466 3.834 20 30 GHEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(SC2CCCC2)cc1 ZINC000731928533 861974414 /nfs/dbraw/zinc/97/44/14/861974414.db2.gz KSYQTRDSVMZZBN-UHFFFAOYSA-N 1 0 378.611 3.861 20 30 GHEDRO CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481668325 861974950 /nfs/dbraw/zinc/97/49/50/861974950.db2.gz ICHWIFSZAKEUIQ-JOCHJYFZSA-N 1 0 377.488 3.630 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)CN2CCO[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000525637080 849061805 /nfs/dbraw/zinc/06/18/05/849061805.db2.gz XWSYVXKXJIZAJT-RDPSFJRHSA-N 1 0 397.515 3.545 20 30 GHEDRO CC#CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000458393237 849125366 /nfs/dbraw/zinc/12/53/66/849125366.db2.gz JLCIEWRPSZWCNH-AEFFLSMTSA-N 1 0 381.442 3.753 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000154340420 849260013 /nfs/dbraw/zinc/26/00/13/849260013.db2.gz XLPWEGAWZBXJCT-XGRCMKMKSA-N 1 0 399.922 3.792 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000329673795 862005878 /nfs/dbraw/zinc/00/58/78/862005878.db2.gz VBBGLXYTSOXJLD-ZDUSSCGKSA-N 1 0 381.423 3.545 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)CC1 ZINC000154937932 849398206 /nfs/dbraw/zinc/39/82/06/849398206.db2.gz LJWFQRAYUBAUED-QGZVFWFLSA-N 1 0 385.430 3.638 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccc(C#N)cc1 ZINC000278165719 849460806 /nfs/dbraw/zinc/46/08/06/849460806.db2.gz CBDBKRIYTJDPJY-OAQYLSRUSA-N 1 0 385.533 3.828 20 30 GHEDRO O=C(COc1cccc(NC(=O)C2CC2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000329681442 862051652 /nfs/dbraw/zinc/05/16/52/862051652.db2.gz RYETYLLYVHWLTJ-UHFFFAOYSA-N 1 0 385.508 3.540 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1SC ZINC000503928065 849777286 /nfs/dbraw/zinc/77/72/86/849777286.db2.gz NMCMHNMYXATSRD-SFHVURJKSA-N 1 0 381.501 3.574 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1OC ZINC000503942452 849786958 /nfs/dbraw/zinc/78/69/58/849786958.db2.gz DDXCZPILMJDCHK-UKRRQHHQSA-N 1 0 384.314 3.927 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)C2)C1 ZINC000505527152 849792157 /nfs/dbraw/zinc/79/21/57/849792157.db2.gz HSWXSBSXXNJHHN-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO Cc1nn(Cc2ccccc2)c(C)c1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000434988935 849975789 /nfs/dbraw/zinc/97/57/89/849975789.db2.gz YDTIVTDPBWBBBP-RUZDIDTESA-N 1 0 399.542 3.931 20 30 GHEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435125345 850104385 /nfs/dbraw/zinc/10/43/85/850104385.db2.gz WMQHCHUKTWCDAS-KRWDZBQOSA-N 1 0 375.476 3.627 20 30 GHEDRO Cc1nc(C)c(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000329691034 862092274 /nfs/dbraw/zinc/09/22/74/862092274.db2.gz DIHLCPYAUJCFGZ-OKILXGFUSA-N 1 0 388.537 3.895 20 30 GHEDRO COc1ccc(CC2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000504563684 850149181 /nfs/dbraw/zinc/14/91/81/850149181.db2.gz OYKLGGROHMGYJL-UHFFFAOYSA-N 1 0 391.515 3.897 20 30 GHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)C1 ZINC000430137279 850159448 /nfs/dbraw/zinc/15/94/48/850159448.db2.gz KXHMXUMOQXHIGM-KNKQGSTJSA-N 1 0 377.536 3.626 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000424069153 850184544 /nfs/dbraw/zinc/18/45/44/850184544.db2.gz OTKFLQZRPAWULL-CQSZACIVSA-N 1 0 382.411 3.712 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424124202 850238136 /nfs/dbraw/zinc/23/81/36/850238136.db2.gz LQYRVIZEOIQHPC-MOPGFXCFSA-N 1 0 383.565 3.743 20 30 GHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000908667526 850259254 /nfs/dbraw/zinc/25/92/54/850259254.db2.gz PTDVLIPNRLARDF-UHFFFAOYSA-N 1 0 395.551 3.518 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424133695 850261276 /nfs/dbraw/zinc/26/12/76/850261276.db2.gz ZQPZZKAJPSCMEG-ZCNNSNEGSA-N 1 0 395.576 3.743 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424225059 850297185 /nfs/dbraw/zinc/29/71/85/850297185.db2.gz UGXNJGJCRJIKJB-PZJWPPBQSA-N 1 0 389.503 3.825 20 30 GHEDRO CCC(CC)(CNCc1cnc2c(C#N)cnn2c1)[NH2+][C@@H](C)c1ccccc1 ZINC000514862961 850374412 /nfs/dbraw/zinc/37/44/12/850374412.db2.gz KPPQMKOWTPVSJX-KRWDZBQOSA-N 1 0 376.508 3.600 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000505675360 850407987 /nfs/dbraw/zinc/40/79/87/850407987.db2.gz VHSOXTRQROYNIB-PKOBYXMFSA-N 1 0 383.536 3.513 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000140452645 850427875 /nfs/dbraw/zinc/42/78/75/850427875.db2.gz GNRSZYDTHTZQNP-INIZCTEOSA-N 1 0 397.906 3.877 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)Nc1cccc(F)c1 ZINC000439820235 850456032 /nfs/dbraw/zinc/45/60/32/850456032.db2.gz SKAWIYHVSMLJSP-SFHVURJKSA-N 1 0 383.442 3.850 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000505050388 850572413 /nfs/dbraw/zinc/57/24/13/850572413.db2.gz CEJMAUUSKLZGLL-NRFANRHFSA-N 1 0 379.504 3.694 20 30 GHEDRO C[C@@H](Sc1cccc(F)c1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514989404 850581084 /nfs/dbraw/zinc/58/10/84/850581084.db2.gz JCJQBXSNCRSMIJ-WBVHZDCISA-N 1 0 383.492 3.569 20 30 GHEDRO C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487287792 850650469 /nfs/dbraw/zinc/65/04/69/850650469.db2.gz QFBGTGOVFCYAII-GCJKJVERSA-N 1 0 393.556 3.818 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000909271039 850656896 /nfs/dbraw/zinc/65/68/96/850656896.db2.gz UZBZVWDAMCDDDK-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO COC(=O)[C@H](CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000425394622 850659968 /nfs/dbraw/zinc/65/99/68/850659968.db2.gz LOZNTCYJTWBSSC-JOCHJYFZSA-N 1 0 378.472 3.748 20 30 GHEDRO C=C(C)Cn1c(C2CCOCC2)nnc1N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000909280516 850685366 /nfs/dbraw/zinc/68/53/66/850685366.db2.gz BUXPSQWKXDMMIO-UHFFFAOYSA-N 1 0 389.588 3.552 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000435703245 850784856 /nfs/dbraw/zinc/78/48/56/850784856.db2.gz GEOANKIVFCJLJZ-UHFFFAOYSA-N 1 0 380.448 3.527 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000435742095 850827503 /nfs/dbraw/zinc/82/75/03/850827503.db2.gz SJODZYSQYSICCS-QMTHXVAHSA-N 1 0 390.119 3.677 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2OCCOCC)CC1 ZINC000519286924 850844316 /nfs/dbraw/zinc/84/43/16/850844316.db2.gz MECKBOPZQWKVBS-UHFFFAOYSA-N 1 0 395.931 3.917 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000425061197 850899848 /nfs/dbraw/zinc/89/98/48/850899848.db2.gz YBMOOJWPOKBWMU-AZUAARDMSA-N 1 0 377.513 3.876 20 30 GHEDRO CC(C)C[C@H](CNC(=O)COc1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000732293900 862195644 /nfs/dbraw/zinc/19/56/44/862195644.db2.gz SCTVXTIZVYHGBZ-WIYYLYMNSA-N 1 0 379.504 3.819 20 30 GHEDRO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C ZINC000487963792 851030762 /nfs/dbraw/zinc/03/07/62/851030762.db2.gz NEGDONTZURNGSI-QFBILLFUSA-N 1 0 377.916 3.724 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180509659 862199912 /nfs/dbraw/zinc/19/99/12/862199912.db2.gz XBORLIINSVCHCU-RTBURBONSA-N 1 0 395.906 3.649 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000440383134 851107900 /nfs/dbraw/zinc/10/79/00/851107900.db2.gz UMHJGLFEYILJAQ-NOZRDPDXSA-N 1 0 387.527 3.743 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC000481766510 862213599 /nfs/dbraw/zinc/21/35/99/862213599.db2.gz IWTLSLQAQNOJEJ-UHFFFAOYSA-N 1 0 385.414 3.708 20 30 GHEDRO CCC1(CNC(=O)COc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000514051048 851174131 /nfs/dbraw/zinc/17/41/31/851174131.db2.gz TZZQVQUSTAGQLE-UHFFFAOYSA-N 1 0 391.515 3.746 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(F)cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000189715227 851201708 /nfs/dbraw/zinc/20/17/08/851201708.db2.gz HIQORGDUABMYJA-NHCUHLMSSA-N 1 0 394.450 3.805 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000604475279 862217470 /nfs/dbraw/zinc/21/74/70/862217470.db2.gz YKAMWLVDGRTKNS-KRWDZBQOSA-N 1 0 379.464 3.597 20 30 GHEDRO CC[N@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488276342 851357886 /nfs/dbraw/zinc/35/78/86/851357886.db2.gz AVFXSQNDKUOZDP-RDTXWAMCSA-N 1 0 380.330 3.714 20 30 GHEDRO CCC1(CNc2ncc([N+](=O)[O-])cc2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000514225776 851422239 /nfs/dbraw/zinc/42/22/39/851422239.db2.gz PKLBBMSQAVNXTO-UHFFFAOYSA-N 1 0 379.464 3.966 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434660986 851436807 /nfs/dbraw/zinc/43/68/07/851436807.db2.gz BUQMIDHMXFUKCG-QFIPXVFZSA-N 1 0 397.490 3.889 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180602106 862245135 /nfs/dbraw/zinc/24/51/35/862245135.db2.gz FISKQUGARYNZRP-KRWDZBQOSA-N 1 0 395.478 3.929 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@]3(C#N)CC34CCCC4)CC[N@@H+]2C2CC2)c1 ZINC000515772024 851454568 /nfs/dbraw/zinc/45/45/68/851454568.db2.gz DYMXPFGGXXOVIV-VIZSFHNOSA-N 1 0 379.504 3.563 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1)C1CC1 ZINC000505481467 851495519 /nfs/dbraw/zinc/49/55/19/851495519.db2.gz URKXIELGZOUQLO-GOSISDBHSA-N 1 0 379.426 3.873 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000436381807 851538382 /nfs/dbraw/zinc/53/83/82/851538382.db2.gz BENFUIQAHRAKES-WIYYLYMNSA-N 1 0 387.524 3.654 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)c(OC)c1 ZINC000515833681 851538844 /nfs/dbraw/zinc/53/88/44/851538844.db2.gz MASVWYPFDQMRBB-QZTJIDSGSA-N 1 0 385.529 3.643 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000488498465 851579487 /nfs/dbraw/zinc/57/94/87/851579487.db2.gz HGIDMGITKTXYLW-GCJKJVERSA-N 1 0 393.556 3.818 20 30 GHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000488693627 851709897 /nfs/dbraw/zinc/70/98/97/851709897.db2.gz MQYXQZXGXLHFMI-IBGZPJMESA-N 1 0 375.516 3.910 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)CSCc3ccc(C#N)cc3)c2)CC1 ZINC000184270082 851852267 /nfs/dbraw/zinc/85/22/67/851852267.db2.gz CGCJFPOFJDMDOG-UHFFFAOYSA-N 1 0 394.544 3.572 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000437994260 851929963 /nfs/dbraw/zinc/92/99/63/851929963.db2.gz AGZOULOWRVPRNY-ACESQOTJSA-N 1 0 397.563 3.664 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000489036591 851937136 /nfs/dbraw/zinc/93/71/36/851937136.db2.gz NWOMYWDIJIBOIB-XERREHJYSA-N 1 0 377.504 3.652 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000489036588 851937163 /nfs/dbraw/zinc/93/71/63/851937163.db2.gz NWOMYWDIJIBOIB-KLHJMIIUSA-N 1 0 377.504 3.652 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000111859360 851948678 /nfs/dbraw/zinc/94/86/78/851948678.db2.gz BZZVZOXZQLFMTC-OXJNMPFZSA-N 1 0 391.943 3.852 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473783485 851971728 /nfs/dbraw/zinc/97/17/28/851971728.db2.gz DAXWHYMBXDVHMY-IRXDYDNUSA-N 1 0 392.503 3.845 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000489182014 852096222 /nfs/dbraw/zinc/09/62/22/852096222.db2.gz CEUHZVQLQZNOPN-UHFFFAOYSA-N 1 0 385.508 3.512 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000329791679 862323420 /nfs/dbraw/zinc/32/34/20/862323420.db2.gz DXFZSZYPDNRWKK-OWYHZJEWSA-N 1 0 388.508 3.697 20 30 GHEDRO CCc1c(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cnn1-c1ccccc1 ZINC000329801724 862330585 /nfs/dbraw/zinc/33/05/85/862330585.db2.gz JVBPREYIRAGZKU-GOSISDBHSA-N 1 0 381.524 3.644 20 30 GHEDRO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000329806127 862333894 /nfs/dbraw/zinc/33/38/94/862333894.db2.gz LDRXZVZCXUTHFZ-GUDVDZBRSA-N 1 0 389.496 3.589 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2nnc(C(C)(C)C)s2)C1 ZINC000329807608 862334774 /nfs/dbraw/zinc/33/47/74/862334774.db2.gz AHVULPDHXWSCAM-ZIAGYGMSSA-N 1 0 381.590 3.596 20 30 GHEDRO CCCC[N@H+](C)CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000112309047 852239103 /nfs/dbraw/zinc/23/91/03/852239103.db2.gz WWRSDWALQIXORQ-UHFFFAOYSA-N 1 0 381.524 3.542 20 30 GHEDRO C=CCc1cc(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)cc(OC)c1OC ZINC000436724085 852249963 /nfs/dbraw/zinc/24/99/63/852249963.db2.gz MYVZNBZAONVVST-FQEVSTJZSA-N 1 0 394.515 3.956 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000489386311 852270425 /nfs/dbraw/zinc/27/04/25/852270425.db2.gz FNOWHBQFXYUAFU-QFIPXVFZSA-N 1 0 377.488 3.549 20 30 GHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccc2c(c1)OCCCO2 ZINC000329811895 862339234 /nfs/dbraw/zinc/33/92/34/862339234.db2.gz MXZMWLFSRUIACD-OTWHNJEPSA-N 1 0 388.508 3.842 20 30 GHEDRO CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000132989736 862353840 /nfs/dbraw/zinc/35/38/40/862353840.db2.gz UWAGTAUUAMIIJX-UHFFFAOYSA-N 1 0 391.515 3.839 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000519587999 852550818 /nfs/dbraw/zinc/55/08/18/852550818.db2.gz LZQCEFNCQUILGN-VNHYZAJKSA-N 1 0 394.313 3.524 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000029148674 852556057 /nfs/dbraw/zinc/55/60/57/852556057.db2.gz PLVZVZWNIKUYOK-QFIPXVFZSA-N 1 0 396.535 3.939 20 30 GHEDRO N#Cc1ccc(CCC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000507164270 852615113 /nfs/dbraw/zinc/61/51/13/852615113.db2.gz WKLNMRSAARDTHC-UHFFFAOYSA-N 1 0 375.516 3.658 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329854865 862375999 /nfs/dbraw/zinc/37/59/99/862375999.db2.gz SXBQYHFOGCLYLP-MAUKXSAKSA-N 1 0 379.460 3.529 20 30 GHEDRO O=C(Nc1csc(-c2ccccn2)n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000329858100 862377029 /nfs/dbraw/zinc/37/70/29/862377029.db2.gz VWNDNOUMRKBYND-YOEHRIQHSA-N 1 0 383.521 3.699 20 30 GHEDRO O=C(Nc1csc(-c2ccccn2)n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000329858099 862377188 /nfs/dbraw/zinc/37/71/88/862377188.db2.gz VWNDNOUMRKBYND-WMLDXEAASA-N 1 0 383.521 3.699 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[NH+](C)C)cc1 ZINC000489964346 852677061 /nfs/dbraw/zinc/67/70/61/852677061.db2.gz KXWZELDARJPJAA-GGAORHGYSA-N 1 0 393.531 3.965 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1OCCc2ccccc21 ZINC000507235444 852695426 /nfs/dbraw/zinc/69/54/26/852695426.db2.gz RVHUGKWPPWHTEF-ABFPKRMYSA-N 1 0 383.536 3.552 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCOc2ccc(C)cc2Br)CC1 ZINC000517984040 852702988 /nfs/dbraw/zinc/70/29/88/852702988.db2.gz RBXIIXHEFIEEHP-UHFFFAOYSA-N 1 0 395.341 3.683 20 30 GHEDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507298457 852760359 /nfs/dbraw/zinc/76/03/59/852760359.db2.gz TYKDQHUIZYKQBW-OALUTQOASA-N 1 0 390.531 3.509 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414944585 852772504 /nfs/dbraw/zinc/77/25/04/852772504.db2.gz HBJLIQKSHSOLDH-HIFRSBDPSA-N 1 0 383.330 3.643 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(C#N)cc2)c(OC)cc1Cl ZINC000438828650 852933791 /nfs/dbraw/zinc/93/37/91/852933791.db2.gz HVUVXACDBFSLHB-ZDUSSCGKSA-N 1 0 387.867 3.908 20 30 GHEDRO O=C(N1CCCC2(C[NH+](C3CCCC3)C2)C1)C(F)(F)C(F)(F)C(F)(F)F ZINC001270765402 852998109 /nfs/dbraw/zinc/99/81/09/852998109.db2.gz PWZGBZNYOCDDLC-UHFFFAOYSA-N 1 0 390.343 3.686 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H](C#N)C3)C2=O)ccc1Br ZINC000329923883 862428625 /nfs/dbraw/zinc/42/86/25/862428625.db2.gz HGAARQONHWDVFZ-VBQJREDUSA-N 1 0 376.298 3.535 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000518265542 853138021 /nfs/dbraw/zinc/13/80/21/853138021.db2.gz ZIWCEFKALJAVCK-UHFFFAOYSA-N 1 0 378.516 3.965 20 30 GHEDRO CCN(CC)C(=O)C1([NH2+]Cc2ccc(C#N)cc2OC(F)F)CCCCC1 ZINC000437888426 853343928 /nfs/dbraw/zinc/34/39/28/853343928.db2.gz JWBYSUQIXYVKDR-UHFFFAOYSA-N 1 0 379.451 3.821 20 30 GHEDRO C=C(CNC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000491057136 853430210 /nfs/dbraw/zinc/43/02/10/853430210.db2.gz DJQMGARWVVJIJW-GOSISDBHSA-N 1 0 396.510 3.651 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000506522013 853445541 /nfs/dbraw/zinc/44/55/41/853445541.db2.gz HHJNAUGSOWBFAK-KRWDZBQOSA-N 1 0 377.916 3.543 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)CC1 ZINC000518513688 853451638 /nfs/dbraw/zinc/45/16/38/853451638.db2.gz LOEIYLZLNLQUOD-HNNXBMFYSA-N 1 0 399.457 3.812 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H](C3CC3)C2)c1C#N ZINC000491175883 853470074 /nfs/dbraw/zinc/47/00/74/853470074.db2.gz XWHNXRBZMFTAND-IBGZPJMESA-N 1 0 394.494 3.834 20 30 GHEDRO CC[C@@](C)(O)C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000439259169 853477637 /nfs/dbraw/zinc/47/76/37/853477637.db2.gz GJWZNZSCIDKYCB-OAQYLSRUSA-N 1 0 385.895 3.813 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000437759884 853499242 /nfs/dbraw/zinc/49/92/42/853499242.db2.gz PTWVETCTNCMZNA-FCHUYYIVSA-N 1 0 392.503 3.931 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000586776492 853518698 /nfs/dbraw/zinc/51/86/98/853518698.db2.gz UDPBLDJHTXEWMB-BUZMGHMJSA-N 1 0 376.500 3.760 20 30 GHEDRO C[C@H]1[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519836429 853525942 /nfs/dbraw/zinc/52/59/42/853525942.db2.gz AVKWHAJBCOHOKN-HRAATJIYSA-N 1 0 377.463 3.508 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(C#N)s2)C1 ZINC000519820292 853529946 /nfs/dbraw/zinc/52/99/46/853529946.db2.gz YGDFXNJHHITBAP-UHFFFAOYSA-N 1 0 392.528 3.657 20 30 GHEDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(N2CCCC2)n1 ZINC000586793041 853551274 /nfs/dbraw/zinc/55/12/74/853551274.db2.gz WMQZZGHKIDDWKG-UHFFFAOYSA-N 1 0 375.520 3.621 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000188071077 853635038 /nfs/dbraw/zinc/63/50/38/853635038.db2.gz BEACCNYBUKUREW-NRFANRHFSA-N 1 0 394.943 3.528 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c(C(F)(F)F)c1 ZINC000570936786 853654540 /nfs/dbraw/zinc/65/45/40/853654540.db2.gz USROLUVSJZEJGK-GOSISDBHSA-N 1 0 379.426 3.990 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000571138652 853763894 /nfs/dbraw/zinc/76/38/94/853763894.db2.gz RVHAIWZBHDZVJN-HXUWFJFHSA-N 1 0 394.494 3.799 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(C#N)c3)c(C(F)(F)F)c2)CC1 ZINC000044796495 853846518 /nfs/dbraw/zinc/84/65/18/853846518.db2.gz SVRTUZQMUVDBAL-UHFFFAOYSA-N 1 0 388.393 3.581 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000481914858 862512371 /nfs/dbraw/zinc/51/23/71/862512371.db2.gz UTMBQPNDWJYCOL-BJKOFHAPSA-N 1 0 375.516 3.989 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(O)c(OC)c1 ZINC000164454844 854013688 /nfs/dbraw/zinc/01/36/88/854013688.db2.gz QTOOBLJBIWYNFD-IBGZPJMESA-N 1 0 394.515 3.771 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000249688596 854108417 /nfs/dbraw/zinc/10/84/17/854108417.db2.gz UVYWEVNNBYLKHL-RTBURBONSA-N 1 0 379.508 3.541 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)cc2)nc1 ZINC000520395109 854143649 /nfs/dbraw/zinc/14/36/49/854143649.db2.gz AHAKHLFBESHYEB-FQEVSTJZSA-N 1 0 390.487 3.836 20 30 GHEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000441364985 854148170 /nfs/dbraw/zinc/14/81/70/854148170.db2.gz OMLWVCZMYICXDB-GCJKJVERSA-N 1 0 387.487 3.730 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc(C#N)c(F)c2)CCOCC1)c1ccccc1 ZINC000571812677 854165897 /nfs/dbraw/zinc/16/58/97/854165897.db2.gz PQMPNPUGQXMXBF-MRXNPFEDSA-N 1 0 396.466 3.719 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccc(C#N)c(F)c2)CCOCC1)c1ccccc1 ZINC000571812676 854166096 /nfs/dbraw/zinc/16/60/96/854166096.db2.gz PQMPNPUGQXMXBF-INIZCTEOSA-N 1 0 396.466 3.719 20 30 GHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042286 854302954 /nfs/dbraw/zinc/30/29/54/854302954.db2.gz VJGIVWNZHGPWRB-UHFFFAOYSA-N 1 0 393.487 3.613 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000588652694 854327734 /nfs/dbraw/zinc/32/77/34/854327734.db2.gz PCNMVZGFGKMFPP-QHAWAJNXSA-N 1 0 382.552 3.916 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@@H]4CC[NH2+][C@@H]5CCO[C@@H]54)n3)cc2)cc1 ZINC001212152325 854338826 /nfs/dbraw/zinc/33/88/26/854338826.db2.gz KWDXPACESYQDLF-VAMGGRTRSA-N 1 0 388.427 3.635 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)C2)nc1 ZINC000330085373 862562534 /nfs/dbraw/zinc/56/25/34/862562534.db2.gz CWBKWDLWYVGATL-VAMGGRTRSA-N 1 0 398.551 3.871 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000458893317 854473038 /nfs/dbraw/zinc/47/30/38/854473038.db2.gz MIAVBFUZBLOLNG-FQEVSTJZSA-N 1 0 382.533 3.724 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)c2ncccc12 ZINC000328675651 854499293 /nfs/dbraw/zinc/49/92/93/854499293.db2.gz KURIOPPLJPMNOM-RTBURBONSA-N 1 0 387.911 3.961 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000328758524 854530867 /nfs/dbraw/zinc/53/08/67/854530867.db2.gz VYOBAOUBTLFFSY-OAHLLOKOSA-N 1 0 376.888 3.669 20 30 GHEDRO C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1nc(-c2ccccc2)no1 ZINC000328812114 854544938 /nfs/dbraw/zinc/54/49/38/854544938.db2.gz BFQRFLVKBFSLEY-KRWDZBQOSA-N 1 0 397.523 3.704 20 30 GHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000330102069 862577092 /nfs/dbraw/zinc/57/70/92/862577092.db2.gz FPIPYGCWMBSQRS-ASAVKBKASA-N 1 0 376.541 3.570 20 30 GHEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@H]1CCCC12CCOCC2 ZINC000328866582 854586462 /nfs/dbraw/zinc/58/64/62/854586462.db2.gz ZULZUZXXVADKQK-SFHVURJKSA-N 1 0 395.613 3.591 20 30 GHEDRO CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000328903597 854589434 /nfs/dbraw/zinc/58/94/34/854589434.db2.gz ICFKYPNAPXQQNX-IBGZPJMESA-N 1 0 389.565 3.687 20 30 GHEDRO C#CCNC(=O)c1ccc(NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc1 ZINC000732912083 862587133 /nfs/dbraw/zinc/58/71/33/862587133.db2.gz JKBZYNVLQIQSBM-KDURUIRLSA-N 1 0 390.531 3.535 20 30 GHEDRO C#CCNC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nc1 ZINC000732912086 862587316 /nfs/dbraw/zinc/58/73/16/862587316.db2.gz JKBZYNVLQIQSBM-OALUTQOASA-N 1 0 390.531 3.535 20 30 GHEDRO C#CCNC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)nc1 ZINC000732912233 862587404 /nfs/dbraw/zinc/58/74/04/862587404.db2.gz ILEOIYRKFPTOGR-IBGZPJMESA-N 1 0 384.911 3.593 20 30 GHEDRO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328987894 854642725 /nfs/dbraw/zinc/64/27/25/854642725.db2.gz RNXVPZMSJAIWBF-OKGBLQAJSA-N 1 0 377.529 3.715 20 30 GHEDRO CC[NH+]1CCC(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 ZINC000330466046 854673123 /nfs/dbraw/zinc/67/31/23/854673123.db2.gz GZRHMCWCUQLYQO-UHFFFAOYSA-N 1 0 379.932 3.791 20 30 GHEDRO Cn1cc(CN(CC[NH+](C)C)Cc2ccccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000589193982 854741377 /nfs/dbraw/zinc/74/13/77/854741377.db2.gz NTCONIUTZDAFIK-UHFFFAOYSA-N 1 0 391.494 3.662 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CCSC1 ZINC000330814247 854755128 /nfs/dbraw/zinc/75/51/28/854755128.db2.gz QBRMSYBFARWDDO-GOSISDBHSA-N 1 0 387.496 3.905 20 30 GHEDRO CC(C)c1nc([C@H]2CCCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)no1 ZINC000330132539 862602639 /nfs/dbraw/zinc/60/26/39/862602639.db2.gz QLTIZIBSJNCPMM-INIZCTEOSA-N 1 0 389.544 3.693 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(Br)cc2OC)C1 ZINC000330994855 854792236 /nfs/dbraw/zinc/79/22/36/854792236.db2.gz SXPGIFOTLKJCRA-ZIAGYGMSSA-N 1 0 398.345 3.754 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)C[C@H]1C ZINC000330989146 854792415 /nfs/dbraw/zinc/79/24/15/854792415.db2.gz RUIPJDYNXOHRIH-NVXWUHKLSA-N 1 0 375.513 3.947 20 30 GHEDRO Cc1cc(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)ccc1C#N ZINC000589327690 854792965 /nfs/dbraw/zinc/79/29/65/854792965.db2.gz COTQXJFWMZSYRT-UHFFFAOYSA-N 1 0 388.471 3.526 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@H]1CCOc3c(-c4ccccc4)cccc31)C2 ZINC000520445409 854816344 /nfs/dbraw/zinc/81/63/44/854816344.db2.gz ADSIUBHNQJLGTL-KKSFZXQISA-N 1 0 385.471 3.577 20 30 GHEDRO CCNC(=O)N(C)c1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000331208871 854826336 /nfs/dbraw/zinc/82/63/36/854826336.db2.gz GHAROPPZISQAFD-UHFFFAOYSA-N 1 0 375.517 3.646 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000589364162 854829427 /nfs/dbraw/zinc/82/94/27/854829427.db2.gz MKRUUQKRZNNLRY-UHFFFAOYSA-N 1 0 393.491 3.987 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cn(C)nc2C(F)(F)F)C1 ZINC000331336739 854836730 /nfs/dbraw/zinc/83/67/30/854836730.db2.gz YSBOAXIPNSUJEG-LBPRGKRZSA-N 1 0 375.439 3.665 20 30 GHEDRO CC[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000589392988 854847372 /nfs/dbraw/zinc/84/73/72/854847372.db2.gz YDRGQGBAUPMYNE-HSZRJFAPSA-N 1 0 391.515 3.839 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000765811498 855020395 /nfs/dbraw/zinc/02/03/95/855020395.db2.gz YJAVVGZKKAJCBM-FCHUYYIVSA-N 1 0 384.907 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2ccccc2[C@H]1C ZINC000669334826 855030376 /nfs/dbraw/zinc/03/03/76/855030376.db2.gz FTPXIKXZHMIRGB-QFUCXCTJSA-N 1 0 393.535 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC)Cc1ccccc1C ZINC000669335911 855040164 /nfs/dbraw/zinc/04/01/64/855040164.db2.gz ZUOVSIDAZMNVFG-RTWAWAEBSA-N 1 0 395.551 3.725 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H](CC(C)(C)C)C1 ZINC000669335518 855048507 /nfs/dbraw/zinc/04/85/07/855048507.db2.gz NBGZJZBXBYDGNV-OTWHNJEPSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1ccccc1 ZINC000669334773 855051329 /nfs/dbraw/zinc/05/13/29/855051329.db2.gz LDCKNMAZJKYISJ-HKBOAZHASA-N 1 0 393.535 3.731 20 30 GHEDRO CC1CC[NH+](Cc2ccc(NS(=O)(=O)c3cccc(CC#N)c3)cc2)CC1 ZINC000589587778 855072421 /nfs/dbraw/zinc/07/24/21/855072421.db2.gz SNXWMGVCXJVILF-UHFFFAOYSA-N 1 0 383.517 3.785 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H]1C ZINC000248400025 855076264 /nfs/dbraw/zinc/07/62/64/855076264.db2.gz PSMOTAKUWSNMHY-NPIXYEKSSA-N 1 0 385.508 3.601 20 30 GHEDRO Cc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1N1CCNC1=O ZINC000330185616 862645133 /nfs/dbraw/zinc/64/51/33/862645133.db2.gz JEQBRQQHUYQPAR-UHFFFAOYSA-N 1 0 399.539 3.710 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)c1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000589791127 855146293 /nfs/dbraw/zinc/14/62/93/855146293.db2.gz KDDKJLVEDNDINB-UHFFFAOYSA-N 1 0 390.409 3.961 20 30 GHEDRO Cc1c(Cl)cnc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)c1C#N ZINC000273315009 855213046 /nfs/dbraw/zinc/21/30/46/855213046.db2.gz JEFVUVKFPOOOSY-UHFFFAOYSA-N 1 0 376.917 3.706 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)CC2)nc1 ZINC000589945468 855216376 /nfs/dbraw/zinc/21/63/76/855216376.db2.gz GVZDJYYIWNKJKF-HTAPYJJXSA-N 1 0 394.494 3.819 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2cc3ccccc3o2)n1 ZINC000590052002 855264448 /nfs/dbraw/zinc/26/44/48/855264448.db2.gz TWKVCNVBOCOGSF-IBGZPJMESA-N 1 0 399.454 3.753 20 30 GHEDRO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000590067239 855273894 /nfs/dbraw/zinc/27/38/94/855273894.db2.gz WWHPWPSQLMJOCX-AQTBWJFISA-N 1 0 376.504 3.762 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091173076 855289855 /nfs/dbraw/zinc/28/98/55/855289855.db2.gz MLUYHTWWYFXDIP-IBGZPJMESA-N 1 0 376.504 3.756 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCC1 ZINC000184655047 855469685 /nfs/dbraw/zinc/46/96/85/855469685.db2.gz JRSUYMPKJIFJII-WMZOPIPTSA-N 1 0 398.551 3.524 20 30 GHEDRO N#Cc1c(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cccc1C(F)F ZINC000590577607 855496852 /nfs/dbraw/zinc/49/68/52/855496852.db2.gz HQFIZWASLUSQHM-KRWDZBQOSA-N 1 0 398.457 3.805 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000056405025 855536857 /nfs/dbraw/zinc/53/68/57/855536857.db2.gz XTMJRZYYGMFQLJ-NRFANRHFSA-N 1 0 392.503 3.593 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441276 855546354 /nfs/dbraw/zinc/54/63/54/855546354.db2.gz YBAJMLOJXHWXGM-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000171722656 862699001 /nfs/dbraw/zinc/69/90/01/862699001.db2.gz XFIHFUFEJQPGKQ-UHFFFAOYSA-N 1 0 398.595 3.903 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000590744934 855577887 /nfs/dbraw/zinc/57/78/87/855577887.db2.gz HSLFBNITXSVGTI-XWCIJXRUSA-N 1 0 384.293 3.682 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(-c2ccccc2)nn1C ZINC000590778549 855580364 /nfs/dbraw/zinc/58/03/64/855580364.db2.gz OOAFBPNNUOEEMU-UTKZUKDTSA-N 1 0 399.498 3.805 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000520546475 855626855 /nfs/dbraw/zinc/62/68/55/855626855.db2.gz GNMFSYPVBOEXIT-QHCPKHFHSA-N 1 0 389.499 3.593 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400574 855634869 /nfs/dbraw/zinc/63/48/69/855634869.db2.gz VUAFCHBPSKDPKS-OXQOHEQNSA-N 1 0 378.944 3.899 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273528811 855641033 /nfs/dbraw/zinc/64/10/33/855641033.db2.gz RCZABPJTPNBAGU-PZJWPPBQSA-N 1 0 381.451 3.878 20 30 GHEDRO Cc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)n2c3ccccc3nc2c1C#N ZINC000301276677 855652826 /nfs/dbraw/zinc/65/28/26/855652826.db2.gz MGYZFXZZDAOKDO-QGZVFWFLSA-N 1 0 389.503 3.580 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1Cl ZINC000301278484 855652963 /nfs/dbraw/zinc/65/29/63/855652963.db2.gz XARKZMICLYWHLX-SFHVURJKSA-N 1 0 395.938 3.645 20 30 GHEDRO CCc1nnc(NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1CC ZINC000301608672 855723052 /nfs/dbraw/zinc/72/30/52/855723052.db2.gz ABTCMZYYMSQKRU-CALCHBBNSA-N 1 0 393.535 3.694 20 30 GHEDRO COCc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc(C(C)(C)C)n1 ZINC000301618748 855725544 /nfs/dbraw/zinc/72/55/44/855725544.db2.gz BNFJWSCXISSZHU-UHFFFAOYSA-N 1 0 393.535 3.504 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)cc1 ZINC000591049125 855736591 /nfs/dbraw/zinc/73/65/91/855736591.db2.gz VKKPBZKYRGCSAJ-GMAHTHKFSA-N 1 0 376.500 3.762 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(Nc4ccc(C#N)nn4)cc3)CC2)c1 ZINC000301911917 855780526 /nfs/dbraw/zinc/78/05/26/855780526.db2.gz GTCQYKSQYCJCMO-UHFFFAOYSA-N 1 0 384.487 3.723 20 30 GHEDRO N#Cc1cc(F)ccc1N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000301977093 855791164 /nfs/dbraw/zinc/79/11/64/855791164.db2.gz FFEFMWZTZVUBLC-UHFFFAOYSA-N 1 0 397.479 3.564 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3ccnc(Cc4ccccc4)n3)CC2)cc1 ZINC000302053138 855808036 /nfs/dbraw/zinc/80/80/36/855808036.db2.gz YGKRUYWKUCTIQT-UHFFFAOYSA-N 1 0 383.499 3.651 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000733107609 862722491 /nfs/dbraw/zinc/72/24/91/862722491.db2.gz VIENIVMOOLPYHZ-UHFFFAOYSA-N 1 0 391.849 3.894 20 30 GHEDRO N#Cc1ccnc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000302089563 855814169 /nfs/dbraw/zinc/81/41/69/855814169.db2.gz APMXCHYGWQRAQE-IPMKNSEASA-N 1 0 377.448 3.574 20 30 GHEDRO CCOc1cccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000302094605 855815594 /nfs/dbraw/zinc/81/55/94/855815594.db2.gz IJKDJAYQBMWYEI-UHFFFAOYSA-N 1 0 380.448 3.577 20 30 GHEDRO N#Cc1cnc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(Cl)c1 ZINC000554158629 855845330 /nfs/dbraw/zinc/84/53/30/855845330.db2.gz BJYWZABYCSULCU-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(C#N)ccc1C(F)(F)F ZINC000302467674 855869314 /nfs/dbraw/zinc/86/93/14/855869314.db2.gz SUIVNRAJGQCHIA-HXUWFJFHSA-N 1 0 389.421 3.650 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591284920 855884195 /nfs/dbraw/zinc/88/41/95/855884195.db2.gz YHXFFYONZHZQAP-SIKLNZKXSA-N 1 0 390.487 3.661 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC000591306537 855900916 /nfs/dbraw/zinc/90/09/16/855900916.db2.gz CRTSOKXLLHEOSS-HUUCEWRRSA-N 1 0 391.313 3.564 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591308985 855903104 /nfs/dbraw/zinc/90/31/04/855903104.db2.gz NPJLPJRAPLXSMG-DNVCBOLYSA-N 1 0 378.501 3.925 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000554491380 855918199 /nfs/dbraw/zinc/91/81/99/855918199.db2.gz PCBUNVOKVIAAJJ-RLHVNXBHSA-N 1 0 396.535 3.516 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC001272883500 855918853 /nfs/dbraw/zinc/91/88/53/855918853.db2.gz OVVSFARQYPDXAG-HXUWFJFHSA-N 1 0 376.500 3.683 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCO[C@H](c3ccc(OC)cc3)C1)CC2 ZINC001168651540 855977765 /nfs/dbraw/zinc/97/77/65/855977765.db2.gz WSOVYECMMBSDNI-SSPYTLHUSA-N 1 0 398.547 3.948 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000108681492 855980502 /nfs/dbraw/zinc/98/05/02/855980502.db2.gz PDIWBWQUAXJNCT-UHFFFAOYSA-N 1 0 395.503 3.972 20 30 GHEDRO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000026643646 856078900 /nfs/dbraw/zinc/07/89/00/856078900.db2.gz WXPHKHVUGAIXRA-OAQYLSRUSA-N 1 0 392.499 3.510 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(n3cccn3)CC1)CCCCC2 ZINC000109008300 856095184 /nfs/dbraw/zinc/09/51/84/856095184.db2.gz FSSYFFBQLOJLJB-UHFFFAOYSA-N 1 0 397.548 3.751 20 30 GHEDRO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507804311 856124641 /nfs/dbraw/zinc/12/46/41/856124641.db2.gz OIDPQJGRYFYIFG-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000181134840 862765324 /nfs/dbraw/zinc/76/53/24/862765324.db2.gz LNNVZLAQRAYPSN-GMAHTHKFSA-N 1 0 395.478 3.516 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(c1nc(-c3ccc(Oc4ccc(F)cc4)nc3)no1)C2 ZINC000905303038 856267230 /nfs/dbraw/zinc/26/72/30/856267230.db2.gz CFPAZOUCYOMQNS-DBWCEAHUSA-N 1 0 391.406 3.670 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)c1ccco1 ZINC000109302404 856273395 /nfs/dbraw/zinc/27/33/95/856273395.db2.gz RWQAAURGCLPLOP-RXVVDRJESA-N 1 0 383.492 3.754 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)cc1Cl ZINC000591765728 856289561 /nfs/dbraw/zinc/28/95/61/856289561.db2.gz CSKAKJPLUHBMEB-CQSZACIVSA-N 1 0 384.785 3.760 20 30 GHEDRO CCOCc1ccc(CNC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000060469531 856304453 /nfs/dbraw/zinc/30/44/53/856304453.db2.gz NOMJQXCRSYXICQ-GOSISDBHSA-N 1 0 379.504 3.794 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000482187993 862787784 /nfs/dbraw/zinc/78/77/84/862787784.db2.gz QAAFVDQPWYFHGK-HSZRJFAPSA-N 1 0 392.547 3.899 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000184829091 856406844 /nfs/dbraw/zinc/40/68/44/856406844.db2.gz RQYVXUMKVIDFDA-SFHVURJKSA-N 1 0 375.394 3.539 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000624837541 856448170 /nfs/dbraw/zinc/44/81/70/856448170.db2.gz SDPZHUUDGROUNP-VAMGGRTRSA-N 1 0 387.572 3.797 20 30 GHEDRO CCN(CC(=O)Nc1sccc1C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000110270555 856483368 /nfs/dbraw/zinc/48/33/68/856483368.db2.gz DSAWRTOFZAJGCF-QFBILLFUSA-N 1 0 382.533 3.716 20 30 GHEDRO CCN(CC(=O)Nc1sccc1C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000110270559 856484080 /nfs/dbraw/zinc/48/40/80/856484080.db2.gz DSAWRTOFZAJGCF-LPHOPBHVSA-N 1 0 382.533 3.716 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000465856361 856587378 /nfs/dbraw/zinc/58/73/78/856587378.db2.gz GCFOUEFDWXHBDO-HXUWFJFHSA-N 1 0 385.552 3.700 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(CC#N)cc1 ZINC000592044800 856636394 /nfs/dbraw/zinc/63/63/94/856636394.db2.gz NMFZKQMKGZRZIP-IBGZPJMESA-N 1 0 376.504 3.559 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)C[C@H](C)NC(=O)c3ccccc3)C1)CCCC2 ZINC000330306228 862822675 /nfs/dbraw/zinc/82/26/75/862822675.db2.gz RIKJZYBDUDFSBF-QFBILLFUSA-N 1 0 394.519 3.627 20 30 GHEDRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151213 856678847 /nfs/dbraw/zinc/67/88/47/856678847.db2.gz KMXLJYRVXAJKSJ-FQEVSTJZSA-N 1 0 377.916 3.534 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC3(C[C@H]2C)CCOCC3)ccc1Cl ZINC000592181071 856682340 /nfs/dbraw/zinc/68/23/40/856682340.db2.gz BIIISTNXOAAGBH-QGZVFWFLSA-N 1 0 389.927 3.786 20 30 GHEDRO N#Cc1ccccc1OCC[NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000592145098 856697288 /nfs/dbraw/zinc/69/72/88/856697288.db2.gz OTZSJDBYBGPDQR-QGZVFWFLSA-N 1 0 380.366 3.549 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H]1SC ZINC000592172388 856698010 /nfs/dbraw/zinc/69/80/10/856698010.db2.gz FJZODIGLXUPIJU-ZIGSKRJUSA-N 1 0 393.578 3.518 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000485551903 856738595 /nfs/dbraw/zinc/73/85/95/856738595.db2.gz PXZSMCVDQWPKLD-NWSQWKLXSA-N 1 0 394.563 3.640 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1C#N ZINC000592185329 856800152 /nfs/dbraw/zinc/80/01/52/856800152.db2.gz XIONXJOVZOZDRF-MRXNPFEDSA-N 1 0 398.551 3.921 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3ccccc3Br)CCC2)C(N)=O)cc1 ZINC000427835317 856804487 /nfs/dbraw/zinc/80/44/87/856804487.db2.gz ALEDAEOHOWYTLJ-GOSISDBHSA-N 1 0 398.304 3.559 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@]1(C#N)CC3CCC1CC3)c1ccccc1O2 ZINC000906106074 856832669 /nfs/dbraw/zinc/83/26/69/856832669.db2.gz GMACSLLHWYDLGF-RCXWGQMESA-N 1 0 393.531 3.811 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)[NH+]1CCCCC1 ZINC000427891915 856850057 /nfs/dbraw/zinc/85/00/57/856850057.db2.gz CCUYIFCLALVCJO-GOSISDBHSA-N 1 0 398.894 3.572 20 30 GHEDRO CCCc1c(NC(=O)C2CC[NH+](C(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000427906300 856863649 /nfs/dbraw/zinc/86/36/49/856863649.db2.gz HRHGWEIWWHTIGU-UHFFFAOYSA-N 1 0 379.508 3.755 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000007652968 856962251 /nfs/dbraw/zinc/96/22/51/856962251.db2.gz DNTBGDYLUQQMDC-UHFFFAOYSA-N 1 0 383.517 3.968 20 30 GHEDRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063750903 857050088 /nfs/dbraw/zinc/05/00/88/857050088.db2.gz ARPFBPUBTUCOFC-KRWDZBQOSA-N 1 0 395.503 3.663 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CCCCCC1 ZINC000508225971 857087771 /nfs/dbraw/zinc/08/77/71/857087771.db2.gz VVULTXORWNXCQC-UHFFFAOYSA-N 1 0 398.551 3.766 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000129227599 857103930 /nfs/dbraw/zinc/10/39/30/857103930.db2.gz VPZZGRCPIAFJGR-WYNBGMTASA-N 1 0 398.551 3.620 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)nc21 ZINC000428147427 857140264 /nfs/dbraw/zinc/14/02/64/857140264.db2.gz DLKSXQICWFDXGL-OAQYLSRUSA-N 1 0 390.531 3.746 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(C#N)c1 ZINC000064470716 857157289 /nfs/dbraw/zinc/15/72/89/857157289.db2.gz QFJVYFTWDLIRDR-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1F ZINC000173836787 857166842 /nfs/dbraw/zinc/16/68/42/857166842.db2.gz FLWLESOKMFHZOB-CVEARBPZSA-N 1 0 399.466 3.829 20 30 GHEDRO C[C@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000174031888 857199803 /nfs/dbraw/zinc/19/98/03/857199803.db2.gz GUTJKTNRUBTZLC-KRWDZBQOSA-N 1 0 380.467 3.503 20 30 GHEDRO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000428227342 857208191 /nfs/dbraw/zinc/20/81/91/857208191.db2.gz IVVBSOULYKRNLA-MRXNPFEDSA-N 1 0 388.581 3.632 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000672386000 857239990 /nfs/dbraw/zinc/23/99/90/857239990.db2.gz RZSBVBBVLYVBDS-QFIPXVFZSA-N 1 0 393.531 3.963 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)CCOCC1)c1ccccc1 ZINC000906690325 857243460 /nfs/dbraw/zinc/24/34/60/857243460.db2.gz FWNBYCQLCPHGNC-JSBMJGEESA-N 1 0 395.547 3.723 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)[C@H](C)C1 ZINC000574212230 857290902 /nfs/dbraw/zinc/29/09/02/857290902.db2.gz UGVPURUIOCJVQY-YLJYHZDGSA-N 1 0 380.540 3.639 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000246259020 857327439 /nfs/dbraw/zinc/32/74/39/857327439.db2.gz JHPRPKQCFGPZIC-QZTJIDSGSA-N 1 0 397.544 3.513 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)ccc1O ZINC000174538684 857339971 /nfs/dbraw/zinc/33/99/71/857339971.db2.gz LTRXZAZDOUAIGN-UHFFFAOYSA-N 1 0 399.516 3.673 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cc(F)c(F)c(F)c3)CC2)c1 ZINC000593162554 857342946 /nfs/dbraw/zinc/34/29/46/857342946.db2.gz KPNHUBATVPCEDM-UHFFFAOYSA-N 1 0 388.393 3.762 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542978489 857350331 /nfs/dbraw/zinc/35/03/31/857350331.db2.gz BQSFKUYTWOFVCZ-MJGOQNOKSA-N 1 0 376.504 3.927 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000520978814 857472787 /nfs/dbraw/zinc/47/27/87/857472787.db2.gz IXROYAIJWHPZKX-JOCHJYFZSA-N 1 0 375.516 3.959 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593386510 857563975 /nfs/dbraw/zinc/56/39/75/857563975.db2.gz SEIHCJZJVHPSAH-QAPCUYQASA-N 1 0 392.906 3.855 20 30 GHEDRO Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000592498233 857573789 /nfs/dbraw/zinc/57/37/89/857573789.db2.gz OWIUPAIINHMJEU-UHFFFAOYSA-N 1 0 376.460 3.904 20 30 GHEDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)([NH+](C)C)C1 ZINC000521113927 857633968 /nfs/dbraw/zinc/63/39/68/857633968.db2.gz IYGHKGRYWRVUPO-HXOBKFHXSA-N 1 0 392.503 3.986 20 30 GHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)CC(C)(C)C#N)cc1Cl ZINC000486302363 857638835 /nfs/dbraw/zinc/63/88/35/857638835.db2.gz XQMXKMFNGHOAMC-UHFFFAOYSA-N 1 0 392.931 3.680 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000521131873 857642034 /nfs/dbraw/zinc/64/20/34/857642034.db2.gz LOQZCWMQDWUPHB-NRFANRHFSA-N 1 0 386.503 3.547 20 30 GHEDRO C=C(C)[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000907460229 857653961 /nfs/dbraw/zinc/65/39/61/857653961.db2.gz BVULQDWSJPSNFY-MKJPBZQASA-N 1 0 378.463 3.589 20 30 GHEDRO COc1ccc(CN2CC[N@H+](C)C[C@@H]2Cc2ccccc2)cc1OCCCC#N ZINC000593679601 857656947 /nfs/dbraw/zinc/65/69/47/857656947.db2.gz MBZFGPKQKBYDLO-QFIPXVFZSA-N 1 0 393.531 3.736 20 30 GHEDRO Cn1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c2cc(F)ccc21 ZINC000593885317 862936119 /nfs/dbraw/zinc/93/61/19/862936119.db2.gz BDIRHPABMULSDF-UHFFFAOYSA-N 1 0 390.462 3.583 20 30 GHEDRO CC[C@H](C#N)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000593723016 857667072 /nfs/dbraw/zinc/66/70/72/857667072.db2.gz WXPYVEQMOHKHTR-FGZHOGPDSA-N 1 0 376.504 3.625 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000574402283 857784826 /nfs/dbraw/zinc/78/48/26/857784826.db2.gz TZPRRNYOJMCJHS-GOSISDBHSA-N 1 0 390.535 3.703 20 30 GHEDRO N#CC1(CCC[NH2+][C@H](CCO)c2ccccc2Br)CCOCC1 ZINC000499622851 857834691 /nfs/dbraw/zinc/83/46/91/857834691.db2.gz BXBSLZLJMUWVLC-QGZVFWFLSA-N 1 0 381.314 3.563 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCCCO1 ZINC000594042371 857851071 /nfs/dbraw/zinc/85/10/71/857851071.db2.gz IOCOADBKZWHZEN-OALUTQOASA-N 1 0 377.916 3.832 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000466035131 857933332 /nfs/dbraw/zinc/93/33/32/857933332.db2.gz CAWZLFYXWHLDSK-LAUBAEHRSA-N 1 0 392.503 3.936 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3cccc(C#Cc4ccccc4)c3)n2)CC1 ZINC000486657992 857937049 /nfs/dbraw/zinc/93/70/49/857937049.db2.gz NIAFRSZNECIYAH-UHFFFAOYSA-N 1 0 399.498 3.616 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000521406092 857942884 /nfs/dbraw/zinc/94/28/84/857942884.db2.gz IANKJKRFHSOWEH-QZTJIDSGSA-N 1 0 376.460 3.732 20 30 GHEDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000109788474 857982796 /nfs/dbraw/zinc/98/27/96/857982796.db2.gz RVFVKYNEHTWKGK-KRWDZBQOSA-N 1 0 388.581 3.683 20 30 GHEDRO C=CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000181697097 862974758 /nfs/dbraw/zinc/97/47/58/862974758.db2.gz IZKYWPQQYSMMEM-GOTSBHOMSA-N 1 0 393.531 3.760 20 30 GHEDRO CCOc1ccccc1OCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000439006650 858027747 /nfs/dbraw/zinc/02/77/47/858027747.db2.gz KYGVTVYFLBAGLU-UHFFFAOYSA-N 1 0 393.487 3.686 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccc(C)nc3)CC2)c(OC)c1 ZINC000543063227 858148386 /nfs/dbraw/zinc/14/83/86/858148386.db2.gz KSWKEXKDGFHFDF-JOCHJYFZSA-N 1 0 396.531 3.746 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000158061488 858157485 /nfs/dbraw/zinc/15/74/85/858157485.db2.gz HJOKYPOIDFXFDB-OALUTQOASA-N 1 0 377.488 3.820 20 30 GHEDRO C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)[C@H]([NH3+])CCCCC#N)OCCO3 ZINC000594430354 858175445 /nfs/dbraw/zinc/17/54/45/858175445.db2.gz ZXAHVLMIUWDTLV-VQIMIIECSA-N 1 0 397.519 3.584 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000594431694 858175460 /nfs/dbraw/zinc/17/54/60/858175460.db2.gz PSUVUFXOVMKQGX-QRWLVFNGSA-N 1 0 396.466 3.666 20 30 GHEDRO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000594431692 858175658 /nfs/dbraw/zinc/17/56/58/858175658.db2.gz PSUVUFXOVMKQGX-FOIQADDNSA-N 1 0 396.466 3.666 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)CCC3)cc1 ZINC000594434891 858176660 /nfs/dbraw/zinc/17/66/60/858176660.db2.gz VUTOIHYTFVBSLI-IAGOWNOFSA-N 1 0 398.532 3.724 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](c1ccccc1)C2 ZINC000594432514 858176723 /nfs/dbraw/zinc/17/67/23/858176723.db2.gz BYFFAWXLKUVPQT-FGZHOGPDSA-N 1 0 377.488 3.732 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000594434244 858177137 /nfs/dbraw/zinc/17/71/37/858177137.db2.gz LTTUHMOOSQSXFK-JKSUJKDBSA-N 1 0 386.496 3.854 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000594445144 858179129 /nfs/dbraw/zinc/17/91/29/858179129.db2.gz AQYNTKAMCDAKTL-ZDUSSCGKSA-N 1 0 378.687 3.553 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000594427693 858185429 /nfs/dbraw/zinc/18/54/29/858185429.db2.gz WATDDLKNAPYKJE-LBPRGKRZSA-N 1 0 378.192 3.818 20 30 GHEDRO Cc1ncsc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000066564346 858187687 /nfs/dbraw/zinc/18/76/87/858187687.db2.gz FLYKUAQAPHFYMS-GFCCVEGCSA-N 1 0 388.562 3.970 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000594506866 858197192 /nfs/dbraw/zinc/19/71/92/858197192.db2.gz FZPVPROCDDMIRH-NRFANRHFSA-N 1 0 376.460 3.708 20 30 GHEDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594520114 858207449 /nfs/dbraw/zinc/20/74/49/858207449.db2.gz ZIUWTFNQQFAANP-INIZCTEOSA-N 1 0 383.517 3.553 20 30 GHEDRO CCCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829790 858296258 /nfs/dbraw/zinc/29/62/58/858296258.db2.gz ZASXWRCEQDPGGW-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000066954505 858372087 /nfs/dbraw/zinc/37/20/87/858372087.db2.gz LPUDJMFHCSRRFS-IRXDYDNUSA-N 1 0 390.553 3.559 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000066954829 858373342 /nfs/dbraw/zinc/37/33/42/858373342.db2.gz ZGHWMPDZSGJXAA-INIZCTEOSA-N 1 0 381.505 3.830 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000521859374 858385085 /nfs/dbraw/zinc/38/50/85/858385085.db2.gz XGZFMSQOYKFDOC-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000595231916 858447323 /nfs/dbraw/zinc/44/73/23/858447323.db2.gz HVXLQPZSLOBQAL-HNNXBMFYSA-N 1 0 391.313 3.564 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000439128477 858448938 /nfs/dbraw/zinc/44/89/38/858448938.db2.gz FBTJGURLUIBFFS-OAHLLOKOSA-N 1 0 386.377 3.788 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@H+](CCc3nsc4ccccc43)CC2)cc1 ZINC000595288746 858461519 /nfs/dbraw/zinc/46/15/19/858461519.db2.gz LFOGGKHHUHJCLF-UHFFFAOYSA-N 1 0 376.529 3.918 20 30 GHEDRO CC(C)(CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCCCC1 ZINC000522075244 858595723 /nfs/dbraw/zinc/59/57/23/858595723.db2.gz WZFNEVSGZDHFFP-UHFFFAOYSA-N 1 0 376.504 3.867 20 30 GHEDRO CC1(C)C[C@H]([N@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccccc2)CO1 ZINC000595637960 858626047 /nfs/dbraw/zinc/62/60/47/858626047.db2.gz OFPWOQIUTBUFHD-FQEVSTJZSA-N 1 0 377.488 3.957 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H](CC#N)C2)c1C#N ZINC000595609146 858630331 /nfs/dbraw/zinc/63/03/31/858630331.db2.gz GVBVLPWVZYSGGC-SFHVURJKSA-N 1 0 393.491 3.572 20 30 GHEDRO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000593091775 858632041 /nfs/dbraw/zinc/63/20/41/858632041.db2.gz LYLQTWPKHCEJPM-HNNXBMFYSA-N 1 0 377.510 3.535 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC(C4CCC4)CC3)CC2)c1 ZINC000595652641 858638456 /nfs/dbraw/zinc/63/84/56/858638456.db2.gz HEIHTHFESADQBQ-UHFFFAOYSA-N 1 0 380.536 3.744 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000522122025 858645154 /nfs/dbraw/zinc/64/51/54/858645154.db2.gz RMPUAQURXSLCQS-UHFFFAOYSA-N 1 0 393.441 3.619 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1F ZINC000115767494 858654524 /nfs/dbraw/zinc/65/45/24/858654524.db2.gz NUTXGCSEXGNRNT-UHFFFAOYSA-N 1 0 392.381 3.682 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(CC3(F)F)C2)sc2c1CCCCC2 ZINC000593114662 858659925 /nfs/dbraw/zinc/65/99/25/858659925.db2.gz DZPGOTUJCNVYOY-GOSISDBHSA-N 1 0 379.476 3.948 20 30 GHEDRO CC(C)CNC(=O)c1cccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595764657 858663224 /nfs/dbraw/zinc/66/32/24/858663224.db2.gz KMPYRUBGDPHFAB-UHFFFAOYSA-N 1 0 391.515 3.740 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCCCC3CCCCC3)CCOCC2)c1 ZINC000595763682 858663273 /nfs/dbraw/zinc/66/32/73/858663273.db2.gz ATYMZCAODRNKEG-UHFFFAOYSA-N 1 0 383.536 3.630 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@]4(CC4(F)F)C3)sc2C1 ZINC000593118840 858664009 /nfs/dbraw/zinc/66/40/09/858664009.db2.gz SOPJCBNTWMKCLG-KZULUSFZSA-N 1 0 379.476 3.804 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595785767 858686904 /nfs/dbraw/zinc/68/69/04/858686904.db2.gz GKWMJDAOBTWWIN-YTQCASCJSA-N 1 0 375.557 3.587 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]3CCCCO3)C1)CCC2 ZINC000595789323 858687810 /nfs/dbraw/zinc/68/78/10/858687810.db2.gz LXIXUVSFKPRGJR-YJBOKZPZSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@H]3CCCCO3)CC2)cc1Cl ZINC000595790175 858689037 /nfs/dbraw/zinc/68/90/37/858689037.db2.gz UPRZCAZBUNPQPH-LJQANCHMSA-N 1 0 375.900 3.821 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595789657 858689742 /nfs/dbraw/zinc/68/97/42/858689742.db2.gz RTIKISQHWCFOTJ-LAUBAEHRSA-N 1 0 387.499 3.742 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595831870 858702596 /nfs/dbraw/zinc/70/25/96/858702596.db2.gz QDRIPGIFWOQFKU-NHCUHLMSSA-N 1 0 380.536 3.624 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595870580 858720888 /nfs/dbraw/zinc/72/08/88/858720888.db2.gz KJTIVGJMPKBGQP-FGZHOGPDSA-N 1 0 380.536 3.590 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000595876479 858723680 /nfs/dbraw/zinc/72/36/80/858723680.db2.gz DBEJFSQKCDQEGM-UHFFFAOYSA-N 1 0 379.485 3.889 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[NH+]2CCCC2)c1 ZINC000183460683 858750773 /nfs/dbraw/zinc/75/07/73/858750773.db2.gz KDQQGBUMFCETQN-JOCHJYFZSA-N 1 0 389.499 3.817 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000115994012 858774768 /nfs/dbraw/zinc/77/47/68/858774768.db2.gz RMFCGFWOWWXFHO-ZWKOTPCHSA-N 1 0 383.442 3.530 20 30 GHEDRO C=CCN1C(=O)N(CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000761151521 858798170 /nfs/dbraw/zinc/79/81/70/858798170.db2.gz PVHQGNMRGUUDRG-AZUAARDMSA-N 1 0 383.536 3.558 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000160359644 858843122 /nfs/dbraw/zinc/84/31/22/858843122.db2.gz GVGBFOJIMRXAFF-UHFFFAOYSA-N 1 0 388.309 3.910 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c(-c2ccncc2)n1 ZINC000922962807 858902602 /nfs/dbraw/zinc/90/26/02/858902602.db2.gz VFWJLXMRYCRAOZ-QHCPKHFHSA-N 1 0 387.487 3.654 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000596579788 858945654 /nfs/dbraw/zinc/94/56/54/858945654.db2.gz DKOSGOLYLDWHGU-GMAHTHKFSA-N 1 0 388.515 3.504 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596733980 859032344 /nfs/dbraw/zinc/03/23/44/859032344.db2.gz MDLWUAKSUKLKSL-DLBZAZTESA-N 1 0 390.553 3.513 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000424300908 885058684 /nfs/dbraw/zinc/05/86/84/885058684.db2.gz YSBGJWUFZAZYMO-GMXABZIVSA-N 1 0 375.225 3.672 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000596828171 859110877 /nfs/dbraw/zinc/11/08/77/859110877.db2.gz JRSXXHJWTUUEMV-HSZRJFAPSA-N 1 0 391.515 3.738 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](COC)C2)cc1OCC ZINC000537629248 881385959 /nfs/dbraw/zinc/38/59/59/881385959.db2.gz OGJNAJLLSJFTBP-CQSZACIVSA-N 1 0 384.314 3.881 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000922238357 859145033 /nfs/dbraw/zinc/14/50/33/859145033.db2.gz CLTFNQDZKGHUCL-QGZVFWFLSA-N 1 0 384.586 3.834 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(C#N)CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000601390778 859237476 /nfs/dbraw/zinc/23/74/76/859237476.db2.gz HSICLDNUCVWNNR-RHSMWYFYSA-N 1 0 375.875 3.672 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1-n1cccn1 ZINC000160853321 859285377 /nfs/dbraw/zinc/28/53/77/859285377.db2.gz JTUYPINSVLPSIP-MOPGFXCFSA-N 1 0 387.487 3.858 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N(CCC#N)c1ccccc1 ZINC000160853196 859286868 /nfs/dbraw/zinc/28/68/68/859286868.db2.gz JTUYPINSVLPSIP-OALUTQOASA-N 1 0 387.487 3.858 20 30 GHEDRO CC[N@H+](CC(=O)N1CCCc2cc(OC)ccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000060477365 859332098 /nfs/dbraw/zinc/33/20/98/859332098.db2.gz SIJQEPIUKAEOJR-QGZVFWFLSA-N 1 0 377.488 3.929 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)cs1 ZINC000557013254 881420378 /nfs/dbraw/zinc/42/03/78/881420378.db2.gz TZNSHGRBKSYQNA-HXUWFJFHSA-N 1 0 393.512 3.714 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453719925 881424303 /nfs/dbraw/zinc/42/43/03/881424303.db2.gz AUYCBKZHZYKYLZ-QFIPXVFZSA-N 1 0 391.515 3.779 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3(c4ccc(F)cc4)CC3)CC2)c1 ZINC000593339927 859475700 /nfs/dbraw/zinc/47/57/00/859475700.db2.gz WLDCKTCFFRZYHS-UHFFFAOYSA-N 1 0 392.478 3.650 20 30 GHEDRO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593341076 859491691 /nfs/dbraw/zinc/49/16/91/859491691.db2.gz JJQVMKSYCBNVNR-UZUQRXQVSA-N 1 0 388.515 3.755 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cnc4c(F)cccc4c3)CC2)c1 ZINC000593347045 859514460 /nfs/dbraw/zinc/51/44/60/859514460.db2.gz CMQBSHBDYMSFFM-UHFFFAOYSA-N 1 0 388.446 3.640 20 30 GHEDRO Cc1ccc([C@@H](C)CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593347800 859518258 /nfs/dbraw/zinc/51/82/58/859518258.db2.gz JKUVBXSACNWDGD-IBGZPJMESA-N 1 0 390.531 3.934 20 30 GHEDRO Cc1nc(C(C)C)ccc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593350716 859524526 /nfs/dbraw/zinc/52/45/26/859524526.db2.gz ZVKMZXVYOKUJNW-UHFFFAOYSA-N 1 0 376.504 3.780 20 30 GHEDRO CC(C)OCc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593352232 859533687 /nfs/dbraw/zinc/53/36/87/859533687.db2.gz DZIQZYVBXNVKTD-UHFFFAOYSA-N 1 0 391.515 3.878 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3ccc(F)cc3F)CC2)c1 ZINC000593355341 859559760 /nfs/dbraw/zinc/55/97/60/859559760.db2.gz WOMNMEYZZCKLPV-UHFFFAOYSA-N 1 0 383.442 3.550 20 30 GHEDRO Cn1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000597477228 859565214 /nfs/dbraw/zinc/56/52/14/859565214.db2.gz QLFMJXSHQDHMCS-UHFFFAOYSA-N 1 0 398.510 3.980 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)CC3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000597481664 859568094 /nfs/dbraw/zinc/56/80/94/859568094.db2.gz WJIOKYACJNQGBQ-IFMALSPDSA-N 1 0 381.520 3.953 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000665394312 859575430 /nfs/dbraw/zinc/57/54/30/859575430.db2.gz JHIDUVNQBBKTGO-DENIHFKCSA-N 1 0 384.568 3.865 20 30 GHEDRO CCCOc1cccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000161674079 859593238 /nfs/dbraw/zinc/59/32/38/859593238.db2.gz HORDGFHYTLBZJA-UHFFFAOYSA-N 1 0 391.515 3.624 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCC(=O)Nc4ccccc43)C2)c(F)c1 ZINC000543403245 859597648 /nfs/dbraw/zinc/59/76/48/859597648.db2.gz SIKOHCGNMWNMFM-OXQOHEQNSA-N 1 0 378.451 3.729 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000611076593 859600946 /nfs/dbraw/zinc/60/09/46/859600946.db2.gz UUDFFDVDEOHMMO-FXAWDEMLSA-N 1 0 394.494 3.797 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](C(F)F)C2)c1C#N ZINC000611179886 859634167 /nfs/dbraw/zinc/63/41/67/859634167.db2.gz MSFDSPJQMIXMHI-OAHLLOKOSA-N 1 0 390.434 3.534 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)CC2(O)CCCC2)c(C#N)c1C ZINC000474227253 859646687 /nfs/dbraw/zinc/64/66/87/859646687.db2.gz DMBYSFFMMISJPE-UHFFFAOYSA-N 1 0 397.544 3.982 20 30 GHEDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611204941 859650228 /nfs/dbraw/zinc/65/02/28/859650228.db2.gz CAZCDADDDIILST-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@@H]3CCC(F)(F)C3)CC2)c1 ZINC000895594271 859707982 /nfs/dbraw/zinc/70/79/82/859707982.db2.gz NBOOLFWQQLIABP-INIZCTEOSA-N 1 0 390.478 3.647 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1C#N ZINC000611347808 859722361 /nfs/dbraw/zinc/72/23/61/859722361.db2.gz QOVAFKKDXPRBBD-LVCYWYKZSA-N 1 0 377.536 3.890 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000611387422 859731965 /nfs/dbraw/zinc/73/19/65/859731965.db2.gz NSAUJJIOEYXWIS-UONOGXRCSA-N 1 0 386.293 3.849 20 30 GHEDRO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)sc2c1CCC2 ZINC000611389100 859733180 /nfs/dbraw/zinc/73/31/80/859733180.db2.gz XANSLLIHZDMGEW-ZDUSSCGKSA-N 1 0 397.500 3.574 20 30 GHEDRO C=CC[N@H+](Cc1ccnn1-c1ccccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000474281718 859745343 /nfs/dbraw/zinc/74/53/43/859745343.db2.gz WELOYYDLCDLYCY-LJQANCHMSA-N 1 0 399.502 3.906 20 30 GHEDRO N#Cc1ccc(CSc2nnc(NC(=O)C34CCC[NH+](CCC3)C4)s2)cc1 ZINC000602077733 859756143 /nfs/dbraw/zinc/75/61/43/859756143.db2.gz FXAFXQCXYJCPQY-UHFFFAOYSA-N 1 0 399.545 3.517 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N2Cc3cccc(C#N)c3C2)[NH+](C)C)cc1 ZINC000593410115 859765968 /nfs/dbraw/zinc/76/59/68/859765968.db2.gz JDQMMUNUCVTMQF-JOCHJYFZSA-N 1 0 392.503 3.674 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](F)C2)c1C#N ZINC000611501694 859787559 /nfs/dbraw/zinc/78/75/59/859787559.db2.gz HFHWOMKWGHGIDK-IFXJQAMLSA-N 1 0 386.471 3.626 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC000611503186 859788345 /nfs/dbraw/zinc/78/83/45/859788345.db2.gz SKDXRNLQHBZELJ-KNQAVFIVSA-N 1 0 382.479 3.901 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c(F)ccc4ccncc43)CC2)c1 ZINC000597819923 859829584 /nfs/dbraw/zinc/82/95/84/859829584.db2.gz IZOPZHGVXPRTKB-UHFFFAOYSA-N 1 0 388.446 3.640 20 30 GHEDRO COC(=O)C1(C)CCC([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)CC1 ZINC001168764786 859841676 /nfs/dbraw/zinc/84/16/76/859841676.db2.gz QPKOYQRQRXKJJJ-VVWGJOJXSA-N 1 0 395.503 3.816 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000597860978 859877273 /nfs/dbraw/zinc/87/72/73/859877273.db2.gz QPSJUGHSQHQXPU-QGZVFWFLSA-N 1 0 381.476 3.580 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000484299235 859932116 /nfs/dbraw/zinc/93/21/16/859932116.db2.gz WMWSDVPAXRKEAQ-LJQANCHMSA-N 1 0 375.561 3.674 20 30 GHEDRO COCCCOc1cccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000091792620 859933671 /nfs/dbraw/zinc/93/36/71/859933671.db2.gz KSBRXYHIRLDKNL-UHFFFAOYSA-N 1 0 379.504 3.686 20 30 GHEDRO C[C@]1(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)OCCc2sccc21 ZINC000262244956 859942951 /nfs/dbraw/zinc/94/29/51/859942951.db2.gz ATQANJBBCBSUBV-MRXNPFEDSA-N 1 0 385.411 3.861 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000123551018 859996512 /nfs/dbraw/zinc/99/65/12/859996512.db2.gz AOVWZTPFANGPHE-UHFFFAOYSA-N 1 0 379.504 3.872 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)CC3(C#N)CCOCC3)sc2c1)C1CC1 ZINC000598024863 860002316 /nfs/dbraw/zinc/00/23/16/860002316.db2.gz BMRPXIWZFWZOIN-UHFFFAOYSA-N 1 0 384.505 3.539 20 30 GHEDRO C=C(C)C[NH+]1CCC(N2C(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)CC1 ZINC000761252489 860028725 /nfs/dbraw/zinc/02/87/25/860028725.db2.gz SNCDVZZUCOFHJQ-KRWDZBQOSA-N 1 0 396.318 3.969 20 30 GHEDRO CC[N@H+](Cc1cccc(C#N)n1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000602476945 860039689 /nfs/dbraw/zinc/03/96/89/860039689.db2.gz XZTHJVMRKDJPTN-UHFFFAOYSA-N 1 0 378.524 3.666 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc(C#N)n2)c1 ZINC000602492104 860058215 /nfs/dbraw/zinc/05/82/15/860058215.db2.gz MLZQYMSKAPNNIE-HNNXBMFYSA-N 1 0 381.455 3.517 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC4(C3)CCCCC4)CC2)c1 ZINC000593512641 860081101 /nfs/dbraw/zinc/08/11/01/860081101.db2.gz QSVSPLQPMICBDT-UHFFFAOYSA-N 1 0 380.536 3.888 20 30 GHEDRO CCC[C@]1(COC)CCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593514151 860101044 /nfs/dbraw/zinc/10/10/44/860101044.db2.gz RLDIEWIUPKPCNC-HSZRJFAPSA-N 1 0 398.551 3.513 20 30 GHEDRO CC(C)(C[NH2+]C1CCC(C#N)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000602552471 860104399 /nfs/dbraw/zinc/10/43/99/860104399.db2.gz SGSHCPIXUBZBFI-UHFFFAOYSA-N 1 0 399.354 3.673 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)CC[C@@H]([NH3+])CC3CCCCC3)CCOCC2)cc1 ZINC000602557849 860110784 /nfs/dbraw/zinc/11/07/84/860110784.db2.gz JPDOIBQOVMGTBM-OAQYLSRUSA-N 1 0 383.536 3.758 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CC2)nc1 ZINC000092854024 860147645 /nfs/dbraw/zinc/14/76/45/860147645.db2.gz UGPBJMQCGCLUDF-UHFFFAOYSA-N 1 0 391.450 3.758 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000602641553 860173571 /nfs/dbraw/zinc/17/35/71/860173571.db2.gz SSCPLGVDSUKEOL-NVXWUHKLSA-N 1 0 392.341 3.716 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508943948 860196813 /nfs/dbraw/zinc/19/68/13/860196813.db2.gz ALWADSWVGPLHHO-HXUWFJFHSA-N 1 0 395.551 3.725 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1cccc(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001168544858 860201923 /nfs/dbraw/zinc/20/19/23/860201923.db2.gz MCMJAMKEQMONPU-NVXWUHKLSA-N 1 0 378.476 3.615 20 30 GHEDRO COC1(OC)CC2(C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)[C@H]2C(C)C)C1 ZINC000895989419 860207251 /nfs/dbraw/zinc/20/72/51/860207251.db2.gz LKCZHWWJWUVVJN-NRFANRHFSA-N 1 0 394.519 3.568 20 30 GHEDRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000508951274 860239478 /nfs/dbraw/zinc/23/94/78/860239478.db2.gz QLAZURDDRFCXJU-QGZVFWFLSA-N 1 0 399.922 3.878 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508956290 860272651 /nfs/dbraw/zinc/27/26/51/860272651.db2.gz OOWWPQANGGYLQG-FGZHOGPDSA-N 1 0 391.563 3.908 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000124342216 860328193 /nfs/dbraw/zinc/32/81/93/860328193.db2.gz ADJGKCOARXZPHZ-UHFFFAOYSA-N 1 0 381.476 3.534 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3c3cn[nH]c3)sc2C1 ZINC000602878780 860333388 /nfs/dbraw/zinc/33/33/88/860333388.db2.gz AKHYFSPQDNQPFT-SUMWQHHRSA-N 1 0 383.521 3.633 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@]23CC[NH2+]C3)cc1F ZINC000904359987 860364352 /nfs/dbraw/zinc/36/43/52/860364352.db2.gz WGCZPLJGZGAQKY-OAQYLSRUSA-N 1 0 380.423 3.849 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000602948317 860379662 /nfs/dbraw/zinc/37/96/62/860379662.db2.gz DANKUCIAZLVFDK-UHFFFAOYSA-N 1 0 386.565 3.581 20 30 GHEDRO COc1ccc(CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)CCCO)cc1 ZINC000602966772 860398539 /nfs/dbraw/zinc/39/85/39/860398539.db2.gz QUEBBFCSXLPGJD-MRXNPFEDSA-N 1 0 383.448 3.638 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)CC1 ZINC000499361044 860417819 /nfs/dbraw/zinc/41/78/19/860417819.db2.gz IQBOEUWIEXGLIB-UHFFFAOYSA-N 1 0 380.536 3.822 20 30 GHEDRO CC1(C)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C(F)(F)F)O1 ZINC000428933404 860422385 /nfs/dbraw/zinc/42/23/85/860422385.db2.gz UPNNAPSSCOWBCJ-AWEZNQCLSA-N 1 0 389.805 3.582 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CC1 ZINC000171741698 860428191 /nfs/dbraw/zinc/42/81/91/860428191.db2.gz VZQDUPPNIVXAOR-UHFFFAOYSA-N 1 0 398.551 3.639 20 30 GHEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000155195003 860434149 /nfs/dbraw/zinc/43/41/49/860434149.db2.gz XBSHXPFGIGFYKN-RTBURBONSA-N 1 0 399.498 3.869 20 30 GHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598597263 860438918 /nfs/dbraw/zinc/43/89/18/860438918.db2.gz QATVUYOHTTUKMU-IBGZPJMESA-N 1 0 397.485 3.902 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)ccc1OCc1ccncc1 ZINC000598599710 860441002 /nfs/dbraw/zinc/44/10/02/860441002.db2.gz DDJOSBUEEFPEPM-LPHOPBHVSA-N 1 0 383.492 3.621 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)ccc1OCc1ccncc1 ZINC000598599711 860441090 /nfs/dbraw/zinc/44/10/90/860441090.db2.gz DDJOSBUEEFPEPM-QFBILLFUSA-N 1 0 383.492 3.621 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)on2)c1 ZINC000329835795 860444079 /nfs/dbraw/zinc/44/40/79/860444079.db2.gz HNSZKVQGAJQHLN-UHFFFAOYSA-N 1 0 392.503 3.941 20 30 GHEDRO CC(C)C[C@@H]1CN(CCCc2ccccc2)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598617253 860446646 /nfs/dbraw/zinc/44/66/46/860446646.db2.gz HHNMFHUDFHCKCG-PKTZIBPZSA-N 1 0 385.596 3.952 20 30 GHEDRO CC(C)C[C@H]1CN(CCCc2ccccc2)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598617254 860446666 /nfs/dbraw/zinc/44/66/66/860446666.db2.gz HHNMFHUDFHCKCG-XZOQPEGZSA-N 1 0 385.596 3.952 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 ZINC000729975080 860480293 /nfs/dbraw/zinc/48/02/93/860480293.db2.gz HZYFEMIXODRXEZ-GOSISDBHSA-N 1 0 396.318 3.643 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000598724582 860529580 /nfs/dbraw/zinc/52/95/80/860529580.db2.gz KJPVEIFWVYRXMB-LBPRGKRZSA-N 1 0 379.220 3.858 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000509009380 860533715 /nfs/dbraw/zinc/53/37/15/860533715.db2.gz BDJBPRIZQYGIII-HXUWFJFHSA-N 1 0 377.492 3.825 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(c3nccnc3Cl)CC2)CC1 ZINC001170378882 881553498 /nfs/dbraw/zinc/55/34/98/881553498.db2.gz MLOPXJQPVVCKJM-UHFFFAOYSA-N 1 0 381.911 3.656 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)CC1 ZINC001170381717 881556774 /nfs/dbraw/zinc/55/67/74/881556774.db2.gz WVLVWIIQAFFXPQ-RRGHFHOKSA-N 1 0 389.499 3.688 20 30 GHEDRO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)CC[C@H]21 ZINC001170381227 881557053 /nfs/dbraw/zinc/55/70/53/881557053.db2.gz KJPFASCLVBPISR-DNARTXIJSA-N 1 0 379.548 3.969 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CC2CCOCC2)c1C#N ZINC000155907949 860634130 /nfs/dbraw/zinc/63/41/30/860634130.db2.gz WMYGFSVWFJQMJL-UHFFFAOYSA-N 1 0 386.540 3.779 20 30 GHEDRO CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1ccccn1 ZINC000125388898 860653709 /nfs/dbraw/zinc/65/37/09/860653709.db2.gz JYZAGLUKADOFFI-UHFFFAOYSA-N 1 0 387.487 3.821 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](C)CCc2ccc(I)cc2)CC1 ZINC000474709616 860662778 /nfs/dbraw/zinc/66/27/78/860662778.db2.gz OJQFFXCDRJAYNB-OAHLLOKOSA-N 1 0 398.332 3.852 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C(F)(F)F ZINC000156080044 860674081 /nfs/dbraw/zinc/67/40/81/860674081.db2.gz KEFFEFSMSKKLDF-AWEZNQCLSA-N 1 0 380.414 3.917 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]([NH2+]C(C)C)c2ccc(OC)cc2)c1 ZINC000896363331 860674905 /nfs/dbraw/zinc/67/49/05/860674905.db2.gz WKBQXOTYLKOGDR-KNQAVFIVSA-N 1 0 395.503 3.732 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000170791011 860702482 /nfs/dbraw/zinc/70/24/82/860702482.db2.gz QPHGXIUNSIZTBO-IBGZPJMESA-N 1 0 377.410 3.576 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000061139229 860795352 /nfs/dbraw/zinc/79/53/52/860795352.db2.gz MVJCQNSOQYLIRJ-GOSISDBHSA-N 1 0 376.504 3.580 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cnc(-c4ccccc4)nc3)CC2)c1 ZINC000593692562 860855303 /nfs/dbraw/zinc/85/53/03/860855303.db2.gz FSMXSQIEBJJHPD-UHFFFAOYSA-N 1 0 383.499 3.769 20 30 GHEDRO C=CCOc1c(Cl)cc(CNCc2nnc3n2CCCCC3)cc1OC ZINC000623339851 860899818 /nfs/dbraw/zinc/89/98/18/860899818.db2.gz MQILJPCDNNORET-UHFFFAOYSA-N 1 0 376.888 3.521 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]CCCc3ccc4c(c3)CCO4)CC2)c1 ZINC000593702818 860929781 /nfs/dbraw/zinc/92/97/81/860929781.db2.gz OFUINIZIMZDDDJ-UHFFFAOYSA-N 1 0 375.516 3.680 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCCc1ccc(-c2csc(C)n2)s1 ZINC000170909149 860967562 /nfs/dbraw/zinc/96/75/62/860967562.db2.gz NGFVDWIAYBKLJW-UHFFFAOYSA-N 1 0 386.546 3.836 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2ccc(OC)c(F)c2)c1 ZINC000170915043 860980186 /nfs/dbraw/zinc/98/01/86/860980186.db2.gz LXOFCPVXOCRHBC-UHFFFAOYSA-N 1 0 375.444 3.601 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000730265694 860985534 /nfs/dbraw/zinc/98/55/34/860985534.db2.gz FMPUWQLLUHLVMU-INIZCTEOSA-N 1 0 382.508 3.936 20 30 GHEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593722816 861017924 /nfs/dbraw/zinc/01/79/24/861017924.db2.gz RIUMOIOZTZPECP-JOCHJYFZSA-N 1 0 379.479 3.947 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1 ZINC000329107992 861024116 /nfs/dbraw/zinc/02/41/16/861024116.db2.gz FMGJBTIAQCBMSB-QKNQBKEWSA-N 1 0 398.551 3.601 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000329112432 861031696 /nfs/dbraw/zinc/03/16/96/861031696.db2.gz RILYFACQOZGIBW-FUHWJXTLSA-N 1 0 396.491 3.905 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CCOCC1 ZINC000599299357 861041502 /nfs/dbraw/zinc/04/15/02/861041502.db2.gz DTOWETGNKAUUGQ-GOTSBHOMSA-N 1 0 376.500 3.857 20 30 GHEDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000329137808 861057657 /nfs/dbraw/zinc/05/76/57/861057657.db2.gz HSROYPQNMGEOEA-FUHWJXTLSA-N 1 0 396.535 3.973 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000599324300 861064400 /nfs/dbraw/zinc/06/44/00/861064400.db2.gz SIWFAUFAROJVFN-UHFFFAOYSA-N 1 0 377.532 3.804 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+](C)C)cc1OC ZINC000061232590 861066183 /nfs/dbraw/zinc/06/61/83/861066183.db2.gz SVOISDIFMNHYIY-ACCUITESSA-N 1 0 380.488 3.651 20 30 GHEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329148334 861067006 /nfs/dbraw/zinc/06/70/06/861067006.db2.gz PQODXTHTDYBPJQ-MAUKXSAKSA-N 1 0 375.538 3.727 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000599344643 861079766 /nfs/dbraw/zinc/07/97/66/861079766.db2.gz HEUMZKQRPYLMIW-RYUDHWBXSA-N 1 0 375.271 3.854 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000599353621 861095041 /nfs/dbraw/zinc/09/50/41/861095041.db2.gz KGVYPCBTXUJMLE-DNVCBOLYSA-N 1 0 384.451 3.577 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CCOCC1 ZINC000599336280 861101742 /nfs/dbraw/zinc/10/17/42/861101742.db2.gz KNLUPSILOORJNI-QZTJIDSGSA-N 1 0 392.927 3.502 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2csc(Br)c2)C2CC2)CCOCC1 ZINC000599336347 861102314 /nfs/dbraw/zinc/10/23/14/861102314.db2.gz MAHSXBFOPMTLOI-HNNXBMFYSA-N 1 0 399.354 3.546 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185665816 861157523 /nfs/dbraw/zinc/15/75/23/861157523.db2.gz KKPJSUVKQHHSOF-RTWAWAEBSA-N 1 0 396.579 3.793 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Cl ZINC000186715326 861170015 /nfs/dbraw/zinc/17/00/15/861170015.db2.gz ABNGPQOEGYBNSO-OAQYLSRUSA-N 1 0 381.863 3.672 20 30 GHEDRO CNC(=O)C1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000062259212 863160117 /nfs/dbraw/zinc/16/01/17/863160117.db2.gz BKHUITFQJDLVAD-UHFFFAOYSA-N 1 0 377.488 3.532 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000733802475 863171282 /nfs/dbraw/zinc/17/12/82/863171282.db2.gz MHYJMUJVXBNRGL-NQIIRXRSSA-N 1 0 394.519 3.687 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(O[C@@H](C#N)CC)c1 ZINC000733802880 863171814 /nfs/dbraw/zinc/17/18/14/863171814.db2.gz QWGBHNJVDPOMCS-VQTJNVASSA-N 1 0 386.540 3.821 20 30 GHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C[NH+]2CCCCC2)c1 ZINC000444033633 863187629 /nfs/dbraw/zinc/18/76/29/863187629.db2.gz GPFAJMWGNJLSDR-UHFFFAOYSA-N 1 0 389.908 3.998 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000733851235 863218045 /nfs/dbraw/zinc/21/80/45/863218045.db2.gz ZQTHRHSWAOLNLU-VQTJNVASSA-N 1 0 384.524 3.527 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c(-c2ccccc2)n1 ZINC000172116139 863236809 /nfs/dbraw/zinc/23/68/09/863236809.db2.gz QGYXABXYKYNGOU-UHFFFAOYSA-N 1 0 382.471 3.939 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)ccc1C#N ZINC000281632297 863294198 /nfs/dbraw/zinc/29/41/98/863294198.db2.gz IKBOETKQVAQSAF-SBUREZEXSA-N 1 0 380.488 3.982 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000522811499 863418829 /nfs/dbraw/zinc/41/88/29/863418829.db2.gz WYMZNHBFJOSBNG-SFHVURJKSA-N 1 0 377.488 3.597 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000593946906 863445783 /nfs/dbraw/zinc/44/57/83/863445783.db2.gz CGHYYOLYANTPPE-LJQANCHMSA-N 1 0 390.531 3.826 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000281893956 863452866 /nfs/dbraw/zinc/45/28/66/863452866.db2.gz PLLHRPVDVFCGKE-JOCHJYFZSA-N 1 0 391.515 3.509 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000593960068 863500155 /nfs/dbraw/zinc/50/01/55/863500155.db2.gz LCKURFNIVNVYFK-GOSISDBHSA-N 1 0 375.516 3.690 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594003468 863715458 /nfs/dbraw/zinc/71/54/58/863715458.db2.gz ICWVLLMZNGYXNR-SELNLUPBSA-N 1 0 375.516 3.764 20 30 GHEDRO CC1(C)CCC(C[NH+]=C(NC[C@H]2CCS(=O)(=O)C2)NC2CCCCC2)CC1 ZINC000262414559 863768071 /nfs/dbraw/zinc/76/80/71/863768071.db2.gz PYRSKHHZIOENQV-GOSISDBHSA-N 1 0 397.629 3.505 20 30 GHEDRO COc1ccc([C@H](NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)C2CC2)cc1 ZINC000594032959 863826008 /nfs/dbraw/zinc/82/60/08/863826008.db2.gz SVYXIDYJKJRMMV-HSZRJFAPSA-N 1 0 389.499 3.803 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000480051611 863942990 /nfs/dbraw/zinc/94/29/90/863942990.db2.gz RCICTSUVQKKPMT-OAQYLSRUSA-N 1 0 375.516 3.644 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)Nc1cccc(Cl)c1 ZINC000734363249 864178617 /nfs/dbraw/zinc/17/86/17/864178617.db2.gz HFFVODKOTCPFOH-CQSZACIVSA-N 1 0 387.940 3.919 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](/N=C\c2cc(Br)ccc2O)[C@@H](C)C1 ZINC000734366468 864180012 /nfs/dbraw/zinc/18/00/12/864180012.db2.gz SULDSSUUDZKCMV-HMYFIOGXSA-N 1 0 383.330 3.711 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1C#N ZINC000554363387 864200518 /nfs/dbraw/zinc/20/05/18/864200518.db2.gz LCCWCIVFFYPBNK-HXUWFJFHSA-N 1 0 397.567 3.589 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000172971361 864204759 /nfs/dbraw/zinc/20/47/59/864204759.db2.gz IBFAZSUHSVROEF-NRFANRHFSA-N 1 0 387.487 3.621 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)CC1 ZINC000072015466 864335414 /nfs/dbraw/zinc/33/54/14/864335414.db2.gz ONPATIUHJHPYOO-UHFFFAOYSA-N 1 0 387.936 3.979 20 30 GHEDRO C=CC[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccncc1 ZINC000734659505 864376234 /nfs/dbraw/zinc/37/62/34/864376234.db2.gz VYAFRWOFICYLJY-QFIPXVFZSA-N 1 0 378.520 3.971 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000184360308 864385217 /nfs/dbraw/zinc/38/52/17/864385217.db2.gz SQVXTFMWBBNVEZ-IAGOWNOFSA-N 1 0 378.476 3.546 20 30 GHEDRO C=CC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccncc1 ZINC000734669436 864394811 /nfs/dbraw/zinc/39/48/11/864394811.db2.gz VUEPKUYHRJVDAT-IBGZPJMESA-N 1 0 388.581 3.750 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000735209914 864668646 /nfs/dbraw/zinc/66/86/46/864668646.db2.gz DNEPSIIMIHKEEE-JOCHJYFZSA-N 1 0 378.472 3.925 20 30 GHEDRO CCOCCC[N@@H+]1CCC(N=Nc2ncnc3sc4c(c32)CCC4)[C@@H](C)C1 ZINC000735227626 864671198 /nfs/dbraw/zinc/67/11/98/864671198.db2.gz FAZIOULHOJNSJB-AWEZNQCLSA-N 1 0 387.553 3.716 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735220766 864689013 /nfs/dbraw/zinc/68/90/13/864689013.db2.gz FIFIWPIYEARWCY-SFHVURJKSA-N 1 0 375.428 3.682 20 30 GHEDRO C[C@@]1(O)C[C@H](CNc2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168339558 881794588 /nfs/dbraw/zinc/79/45/88/881794588.db2.gz XCBDPTWMUGYBKA-UHGJSFDGSA-N 1 0 390.531 3.712 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(-c2ccc(C#N)cc2)n1 ZINC000792909186 881794989 /nfs/dbraw/zinc/79/49/89/881794989.db2.gz SVHLDXCYSRWNFR-AEFFLSMTSA-N 1 0 375.303 3.974 20 30 GHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310011 864734753 /nfs/dbraw/zinc/73/47/53/864734753.db2.gz OLBUWBJSFPRFQV-HZPDHXFCSA-N 1 0 377.916 3.759 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000735491135 864812968 /nfs/dbraw/zinc/81/29/68/864812968.db2.gz AGOWZLBSTZOVJF-JFYQVNSESA-N 1 0 396.579 3.967 20 30 GHEDRO N#CCCCOc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000475353535 864840119 /nfs/dbraw/zinc/84/01/19/864840119.db2.gz QRTHZNRFMWWXEI-ZRZAMGCNSA-N 1 0 375.516 3.933 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC[C@@H]21 ZINC000154721792 864875240 /nfs/dbraw/zinc/87/52/40/864875240.db2.gz OXZSCLKJORSUMU-YADHBBJMSA-N 1 0 389.499 3.694 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000173598394 864894024 /nfs/dbraw/zinc/89/40/24/864894024.db2.gz GSKBJHLIESVCRM-FQEVSTJZSA-N 1 0 378.520 3.770 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000475398771 864947007 /nfs/dbraw/zinc/94/70/07/864947007.db2.gz OLQGNEPJVGUEIM-UHFFFAOYSA-N 1 0 385.552 3.667 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000583665896 864951667 /nfs/dbraw/zinc/95/16/67/864951667.db2.gz SMKJPMSKPKPIRU-QMTHXVAHSA-N 1 0 390.119 3.677 20 30 GHEDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000792937526 881828344 /nfs/dbraw/zinc/82/83/44/881828344.db2.gz YBGOLNDXRAJCFR-BEFAXECRSA-N 1 0 386.879 3.752 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000554847983 865036889 /nfs/dbraw/zinc/03/68/89/865036889.db2.gz DNGLQAFDNONAKG-KRWDZBQOSA-N 1 0 376.460 3.554 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173791916 865074469 /nfs/dbraw/zinc/07/44/69/865074469.db2.gz CXSVEFWNPHFWFM-UHFFFAOYSA-N 1 0 395.478 3.966 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508477062 865269150 /nfs/dbraw/zinc/26/91/50/865269150.db2.gz IVFBXZXCEASXFG-UHFFFAOYSA-N 1 0 382.556 3.798 20 30 GHEDRO COC(=O)CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CCOCC1 ZINC000173999245 865282189 /nfs/dbraw/zinc/28/21/89/865282189.db2.gz JALLTQPEDDCUTN-UHFFFAOYSA-N 1 0 378.472 3.769 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)ccc1C#N ZINC000554981321 865296275 /nfs/dbraw/zinc/29/62/75/865296275.db2.gz DLSQXWWKEHACAL-UHFFFAOYSA-N 1 0 389.455 3.839 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)ccc2OCC(F)(F)F)CC1 ZINC000171582229 865300349 /nfs/dbraw/zinc/30/03/49/865300349.db2.gz NEZCOVNFUOUTAE-UHFFFAOYSA-N 1 0 389.393 3.929 20 30 GHEDRO N#CCCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000555004511 865320780 /nfs/dbraw/zinc/32/07/80/865320780.db2.gz IHLHAPNITMPMRQ-UHFFFAOYSA-N 1 0 391.471 3.614 20 30 GHEDRO C=C(Cl)CNC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000737037824 865352917 /nfs/dbraw/zinc/35/29/17/865352917.db2.gz SMOCDLVAVANOFU-UHFFFAOYSA-N 1 0 398.938 3.561 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2Cc3ccc(C#N)cc3C2)cc1 ZINC000594208587 865406564 /nfs/dbraw/zinc/40/65/64/865406564.db2.gz GUPSHZVQSGCIEZ-UHFFFAOYSA-N 1 0 392.503 3.504 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000455959878 865468822 /nfs/dbraw/zinc/46/88/22/865468822.db2.gz VVCSIDJOKXMUMC-FCHUYYIVSA-N 1 0 397.567 3.668 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555130379 865549288 /nfs/dbraw/zinc/54/92/88/865549288.db2.gz CBYRVDUSJYGWEW-ICSRJNTNSA-N 1 0 381.923 3.629 20 30 GHEDRO C=CCc1cc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc(OC)c1OC ZINC000738522962 865551762 /nfs/dbraw/zinc/55/17/62/865551762.db2.gz YUTNDUWIPJZZRS-UHFFFAOYSA-N 1 0 382.504 3.766 20 30 GHEDRO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)n1-c1ccc(C#N)cc1 ZINC000174242408 865605835 /nfs/dbraw/zinc/60/58/35/865605835.db2.gz ZFRTWGZYFIISEP-VCSGRIEYSA-N 1 0 376.504 3.711 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000739989123 865820445 /nfs/dbraw/zinc/82/04/45/865820445.db2.gz HNKHJMIHOYAWLC-WZONZLPQSA-N 1 0 391.515 3.937 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1C#N ZINC000609025050 865903765 /nfs/dbraw/zinc/90/37/65/865903765.db2.gz XSHKPFIQQLYJHV-QKKBWIMNSA-N 1 0 386.565 3.793 20 30 GHEDRO CC(C)[NH2+]C1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740483655 865929543 /nfs/dbraw/zinc/92/95/43/865929543.db2.gz UNQKDMYULWNUNT-UHFFFAOYSA-N 1 0 382.533 3.959 20 30 GHEDRO C[C@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[NH+]1CCCCC1 ZINC000740472860 865938912 /nfs/dbraw/zinc/93/89/12/865938912.db2.gz FLIXGKFGXXZACT-MRXNPFEDSA-N 1 0 382.533 3.960 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)CC1 ZINC000740735387 865972754 /nfs/dbraw/zinc/97/27/54/865972754.db2.gz CTLQYXVTDMWTRK-UHFFFAOYSA-N 1 0 392.499 3.770 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1 ZINC000740736379 865973823 /nfs/dbraw/zinc/97/38/23/865973823.db2.gz RJQSCKLDPJYMBR-UHFFFAOYSA-N 1 0 392.528 3.613 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555364364 865996694 /nfs/dbraw/zinc/99/66/94/865996694.db2.gz ZPTXWPLOACRDCF-HXUWFJFHSA-N 1 0 378.524 3.537 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000302982154 866013177 /nfs/dbraw/zinc/01/31/77/866013177.db2.gz QAPBHCUKUKULFS-OAQYLSRUSA-N 1 0 390.531 3.843 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000740917030 866104233 /nfs/dbraw/zinc/10/42/33/866104233.db2.gz JWFDAQLLIBZMNO-HXUWFJFHSA-N 1 0 391.515 3.505 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)o2)cc1 ZINC000173357210 881941194 /nfs/dbraw/zinc/94/11/94/881941194.db2.gz WWLDOEAOEDYJMK-UHFFFAOYSA-N 1 0 384.443 3.864 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508489960 866150206 /nfs/dbraw/zinc/15/02/06/866150206.db2.gz PFUWQBDUQJIFRX-IBGZPJMESA-N 1 0 383.515 3.506 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475580703 866416376 /nfs/dbraw/zinc/41/63/76/866416376.db2.gz CLCDPSLFTLYSEI-UHFFFAOYSA-N 1 0 397.972 3.507 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000304467198 866497877 /nfs/dbraw/zinc/49/78/77/866497877.db2.gz CAHNXUPPPRQUNH-UHFFFAOYSA-N 1 0 378.520 3.511 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000665844570 866542633 /nfs/dbraw/zinc/54/26/33/866542633.db2.gz VXJSJLPMSWFSLB-SFHVURJKSA-N 1 0 398.551 3.743 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000049790175 866577024 /nfs/dbraw/zinc/57/70/24/866577024.db2.gz KTNDMQZRQWKFFH-OAQYLSRUSA-N 1 0 392.503 3.545 20 30 GHEDRO CO[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000262542062 866607772 /nfs/dbraw/zinc/60/77/72/866607772.db2.gz SJRMTXBZDUXOHE-GOSISDBHSA-N 1 0 375.856 3.616 20 30 GHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508830166 866639597 /nfs/dbraw/zinc/63/95/97/866639597.db2.gz XPYSDCDFRUUMFG-GOSISDBHSA-N 1 0 377.492 3.942 20 30 GHEDRO C#CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000741677857 866716757 /nfs/dbraw/zinc/71/67/57/866716757.db2.gz ZNMLAFGGPYQXDA-UGKGYDQZSA-N 1 0 376.500 3.996 20 30 GHEDRO N#CC(CC[NH+]1CCC(Cn2cncn2)CC1)(c1ccccc1)c1ccccc1 ZINC000193125523 866815932 /nfs/dbraw/zinc/81/59/32/866815932.db2.gz KITFEZGKPVEKKQ-UHFFFAOYSA-N 1 0 385.515 3.890 20 30 GHEDRO C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000523285934 867022819 /nfs/dbraw/zinc/02/28/19/867022819.db2.gz RUBLLFYGCFNLJL-QGZVFWFLSA-N 1 0 381.476 3.580 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccccc1F ZINC000523366939 867176847 /nfs/dbraw/zinc/17/68/47/867176847.db2.gz XJXKETNDGVWPKK-UHFFFAOYSA-N 1 0 396.510 3.748 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000553334398 867201970 /nfs/dbraw/zinc/20/19/70/867201970.db2.gz ZMQVEDQUHDUOIC-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)N2CCCCC2)cc1 ZINC000742366343 867239431 /nfs/dbraw/zinc/23/94/31/867239431.db2.gz WYYRMPDIKALHAP-QFIPXVFZSA-N 1 0 379.504 3.892 20 30 GHEDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000444787276 867251192 /nfs/dbraw/zinc/25/11/92/867251192.db2.gz WRZQFZYANIGFBI-OAQYLSRUSA-N 1 0 389.565 3.844 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000553376981 867292321 /nfs/dbraw/zinc/29/23/21/867292321.db2.gz KWNTUMCIPULHEM-UHFFFAOYSA-N 1 0 379.504 3.847 20 30 GHEDRO CC[C@@H](Oc1ccccc1F)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479218037 867371690 /nfs/dbraw/zinc/37/16/90/867371690.db2.gz OVJJSAPMFKLBHL-HXUWFJFHSA-N 1 0 395.478 3.658 20 30 GHEDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c2)C1 ZINC000857166909 882075401 /nfs/dbraw/zinc/07/54/01/882075401.db2.gz OGQRBIXFSGFECJ-XZOQPEGZSA-N 1 0 389.499 3.581 20 30 GHEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000190039324 882075661 /nfs/dbraw/zinc/07/56/61/882075661.db2.gz GTRGNURDBACJOT-ABSDTBQOSA-N 1 0 389.565 3.984 20 30 GHEDRO C=CC[C@H]1N(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1(C)C ZINC000445013562 867603422 /nfs/dbraw/zinc/60/34/22/867603422.db2.gz MFYMDMLAJGJNAV-JOCHJYFZSA-N 1 0 399.579 3.920 20 30 GHEDRO C[N@H+](CCC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000553540796 867665695 /nfs/dbraw/zinc/66/56/95/867665695.db2.gz VTQNCBQZRCTMOO-UHFFFAOYSA-N 1 0 387.499 3.722 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@@H](CC)c1ccc(Br)cc1C(F)(F)F ZINC000479428295 867773647 /nfs/dbraw/zinc/77/36/47/867773647.db2.gz XTSVDNMZFWXXSK-ZDUSSCGKSA-N 1 0 379.220 3.811 20 30 GHEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000475623945 867906673 /nfs/dbraw/zinc/90/66/73/867906673.db2.gz LEOYKZQGCBHYKS-OAHLLOKOSA-N 1 0 378.476 3.916 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000743203262 867925834 /nfs/dbraw/zinc/92/58/34/867925834.db2.gz BUHMVNHUJPKQPV-GOSISDBHSA-N 1 0 387.499 3.958 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000743203101 867925864 /nfs/dbraw/zinc/92/58/64/867925864.db2.gz VIQOQUVUHSNUHB-IRXDYDNUSA-N 1 0 375.488 3.717 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCC1(C)C ZINC000445254447 868108818 /nfs/dbraw/zinc/10/88/18/868108818.db2.gz VXNJBTGEQUAEPJ-SFTDATJTSA-N 1 0 385.552 3.530 20 30 GHEDRO COc1cccc([C@H](C/N=C/c2cc(Br)ccc2O)[NH+](C)C)c1 ZINC000005292371 882162763 /nfs/dbraw/zinc/16/27/63/882162763.db2.gz DLTYRQIQDXKOKD-PBGVMVHZSA-N 1 0 377.282 3.885 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000743489991 868236553 /nfs/dbraw/zinc/23/65/53/868236553.db2.gz XYOPLWVLSYHIOX-UHFFFAOYSA-N 1 0 397.950 3.894 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000609071226 868281149 /nfs/dbraw/zinc/28/11/49/868281149.db2.gz WVBOVEXWKXGZDW-QZTJIDSGSA-N 1 0 395.503 3.828 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)ncc1C#N ZINC000457542962 868435593 /nfs/dbraw/zinc/43/55/93/868435593.db2.gz AFQUYENQJLPVMK-UHFFFAOYSA-N 1 0 382.895 3.653 20 30 GHEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000121650196 882197848 /nfs/dbraw/zinc/19/78/48/882197848.db2.gz CROSETIPIKZQLS-HSZRJFAPSA-N 1 0 387.531 3.726 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(CCC)cccc2C(C)C)CC1 ZINC000190509942 882209527 /nfs/dbraw/zinc/20/95/27/882209527.db2.gz PKJZPNWRWWBSOP-UHFFFAOYSA-N 1 0 385.552 3.858 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)ccc1C#N ZINC000440813505 868669789 /nfs/dbraw/zinc/66/97/89/868669789.db2.gz WYBGFVFMOUVGHX-MRXNPFEDSA-N 1 0 391.393 3.834 20 30 GHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H]1[NH+]1CCCC1 ZINC000445607588 868711014 /nfs/dbraw/zinc/71/10/14/868711014.db2.gz LREYJEKAFAENCR-HOTGVXAUSA-N 1 0 390.915 3.915 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](C)Oc2ccc(Br)cc2)ccc1C#N ZINC000440816205 868751188 /nfs/dbraw/zinc/75/11/88/868751188.db2.gz BWINVFBSIYTLCY-ZDUSSCGKSA-N 1 0 375.266 3.886 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000479938063 868753276 /nfs/dbraw/zinc/75/32/76/868753276.db2.gz FZVWRKPNMRBDEE-INIZCTEOSA-N 1 0 381.451 3.903 20 30 GHEDRO [NH2+]=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCOc2ccccc21 ZINC000262817209 882247474 /nfs/dbraw/zinc/24/74/74/882247474.db2.gz VXOVDXFJYFLCAB-HNNXBMFYSA-N 1 0 394.353 3.542 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000524415800 869040047 /nfs/dbraw/zinc/04/00/47/869040047.db2.gz SEWPGJVUVWGGIK-QGZVFWFLSA-N 1 0 395.503 3.971 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cc1 ZINC000744746604 869043424 /nfs/dbraw/zinc/04/34/24/869043424.db2.gz UPWJYQNINQAXPL-GOSISDBHSA-N 1 0 378.472 3.672 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000744845396 869107819 /nfs/dbraw/zinc/10/78/19/869107819.db2.gz XSSYJGNXINXNOW-JOCHJYFZSA-N 1 0 379.479 3.635 20 30 GHEDRO C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Oc1cccc(Br)c1 ZINC000539512253 869256119 /nfs/dbraw/zinc/25/61/19/869256119.db2.gz NRMRYPDPAMTMNS-CYBMUJFWSA-N 1 0 385.265 3.526 20 30 GHEDRO C=CCC[C@H](O)CN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428789142 869310456 /nfs/dbraw/zinc/31/04/56/869310456.db2.gz OBYLUVVNOJBURU-RPWUZVMVSA-N 1 0 379.548 3.875 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000524599161 869326078 /nfs/dbraw/zinc/32/60/78/869326078.db2.gz FAVAAWKEIYPNDA-UHFFFAOYSA-N 1 0 383.492 3.822 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)[C@H](C)O1 ZINC000446074615 869374564 /nfs/dbraw/zinc/37/45/64/869374564.db2.gz SUQPBNGBAAOOMF-ILXRZTDVSA-N 1 0 375.538 3.715 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)s2)cc1 ZINC000524660801 869389743 /nfs/dbraw/zinc/38/97/43/869389743.db2.gz FUMZLEJPXXDHQE-GOSISDBHSA-N 1 0 395.532 3.698 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1 ZINC000609095472 869415824 /nfs/dbraw/zinc/41/58/24/869415824.db2.gz WDKRRHOZHIHJAG-DHIUTWEWSA-N 1 0 390.531 3.726 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000766330382 869508886 /nfs/dbraw/zinc/50/88/86/869508886.db2.gz JXWGWLXZAXXYFL-ROUUACIJSA-N 1 0 375.538 3.827 20 30 GHEDRO C=CC[N@@H+](CCC(=O)c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539714790 869657028 /nfs/dbraw/zinc/65/70/28/869657028.db2.gz MKZPRZDHIMZGDS-MRXNPFEDSA-N 1 0 379.439 3.623 20 30 GHEDRO CCC(CC)(CNC(=O)N=c1cc(C)n(CCC#N)[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000539716231 869658318 /nfs/dbraw/zinc/65/83/18/869658318.db2.gz JRRXVCUZNLPPIB-SFHVURJKSA-N 1 0 396.539 3.558 20 30 GHEDRO CC[C@H](C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000446300441 869673575 /nfs/dbraw/zinc/67/35/75/869673575.db2.gz MXXIAZZJHANTJB-YOEHRIQHSA-N 1 0 384.446 3.608 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000745890840 869867763 /nfs/dbraw/zinc/86/77/63/869867763.db2.gz COCLLUWGFSUFLF-DYESRHJHSA-N 1 0 394.494 3.892 20 30 GHEDRO C=CC[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831237 869868198 /nfs/dbraw/zinc/86/81/98/869868198.db2.gz DIOPRRIKNDCXKL-IBGZPJMESA-N 1 0 399.502 3.656 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)C(C)C ZINC000191084089 882355223 /nfs/dbraw/zinc/35/52/23/882355223.db2.gz CAHQMZCGDNYSBO-QFIPXVFZSA-N 1 0 397.563 3.963 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000121539893 882366460 /nfs/dbraw/zinc/36/64/60/882366460.db2.gz QPORQRFQBLOEHR-YOEHRIQHSA-N 1 0 377.431 3.792 20 30 GHEDRO CC[NH+](CC)[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccsc1 ZINC000462921175 870356321 /nfs/dbraw/zinc/35/63/21/870356321.db2.gz ZQWAATMXTYNGDP-LJQANCHMSA-N 1 0 395.488 3.993 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000609108622 870429476 /nfs/dbraw/zinc/42/94/76/870429476.db2.gz IRCSHMVHODKSCV-HSZRJFAPSA-N 1 0 394.563 3.642 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccsc1 ZINC000609108228 870441157 /nfs/dbraw/zinc/44/11/57/870441157.db2.gz VBUQUTOHUBWNFB-NHCUHLMSSA-N 1 0 396.560 3.788 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC001192730797 870622226 /nfs/dbraw/zinc/62/22/26/870622226.db2.gz LFNDWXWVKORXEA-UHFFFAOYSA-N 1 0 391.471 3.717 20 30 GHEDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)[C@@H]2C1 ZINC000538799943 870634221 /nfs/dbraw/zinc/63/42/21/870634221.db2.gz GTXVLUZSIPHQBO-GMKZXUHWSA-N 1 0 392.499 3.906 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000538823600 870681905 /nfs/dbraw/zinc/68/19/05/870681905.db2.gz NBZZPHUVDBJDEX-JTHBVZDNSA-N 1 0 389.499 3.628 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC001192927737 870794077 /nfs/dbraw/zinc/79/40/77/870794077.db2.gz CBUQWGWZEMORHE-OAHLLOKOSA-N 1 0 385.895 3.969 20 30 GHEDRO [NH3+][C@@H]1CCc2nn(-c3ccc(C#Cc4ccc(Br)cc4)cc3)cc2C1 ZINC001168821650 870875450 /nfs/dbraw/zinc/87/54/50/870875450.db2.gz RJMNWFPFQFPOQC-LJQANCHMSA-N 1 0 392.300 3.851 20 30 GHEDRO CSc1nc(-c2ccc(C)cc2)c(C#N)c(-n2cnc3ccc(C[NH3+])cc32)n1 ZINC001168841369 870901940 /nfs/dbraw/zinc/90/19/40/870901940.db2.gz UQIMQJWLFRICMX-UHFFFAOYSA-N 1 0 386.484 3.843 20 30 GHEDRO N#Cc1c(F)cccc1N1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000029858911 870911250 /nfs/dbraw/zinc/91/12/50/870911250.db2.gz ZVJIURRMMVUVQK-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1OC ZINC000249845412 870920308 /nfs/dbraw/zinc/92/03/08/870920308.db2.gz OHGPGPNDYYEDDF-NUEKZKHPSA-N 1 0 382.298 3.680 20 30 GHEDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CN1C(=O)OC(C)(C)C ZINC001168879279 870966029 /nfs/dbraw/zinc/96/60/29/870966029.db2.gz GNUHBULJBDCJQT-IMFGXOCKSA-N 1 0 385.508 3.799 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2c(F)cccc2F)c(OC)c1 ZINC000540332245 871038928 /nfs/dbraw/zinc/03/89/28/871038928.db2.gz DKXZDPPNZFECNQ-ZBFHGGJFSA-N 1 0 377.431 3.792 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1OC ZINC000093009448 882474867 /nfs/dbraw/zinc/47/48/67/882474867.db2.gz WLRNSNFHLHIPLP-UHFFFAOYSA-N 1 0 398.503 3.864 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000540372616 871101636 /nfs/dbraw/zinc/10/16/36/871101636.db2.gz JWFCAAPHLTXHNR-UHFFFAOYSA-N 1 0 397.563 3.857 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c1 ZINC001193506003 871148438 /nfs/dbraw/zinc/14/84/38/871148438.db2.gz DTTLNHDKFKGMAE-LJQANCHMSA-N 1 0 387.487 3.649 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)cc1 ZINC000181539031 871162734 /nfs/dbraw/zinc/16/27/34/871162734.db2.gz OWVLKEKOZMKVQS-AUSIDOKSSA-N 1 0 379.504 3.622 20 30 GHEDRO C[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cccc(C#N)c1 ZINC000461902990 871200691 /nfs/dbraw/zinc/20/06/91/871200691.db2.gz RYERDTFOLYZFBX-UTKZUKDTSA-N 1 0 389.499 3.766 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC001169187210 871284438 /nfs/dbraw/zinc/28/44/38/871284438.db2.gz DEGXLPZBTUUBGV-QHCPKHFHSA-N 1 0 375.516 3.813 20 30 GHEDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000443343724 871287861 /nfs/dbraw/zinc/28/78/61/871287861.db2.gz HFIGEMRRAFYDOE-RKVPGOIHSA-N 1 0 389.565 3.699 20 30 GHEDRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)cn1 ZINC001169216679 871312974 /nfs/dbraw/zinc/31/29/74/871312974.db2.gz KHVDGEMSTFPEIG-OAQYLSRUSA-N 1 0 393.878 3.653 20 30 GHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000463285585 871331943 /nfs/dbraw/zinc/33/19/43/871331943.db2.gz GFTGFKCMWIMNOP-IEBWSBKVSA-N 1 0 394.485 3.889 20 30 GHEDRO C#CCOCC[N@@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001193962686 871404890 /nfs/dbraw/zinc/40/48/90/871404890.db2.gz HXDAFAURDGSBIQ-SFHVURJKSA-N 1 0 398.366 3.675 20 30 GHEDRO N#Cc1cncc(C(=O)N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001194108838 871480960 /nfs/dbraw/zinc/48/09/60/871480960.db2.gz VEESDEYKRJWSJY-XMMPIXPASA-N 1 0 396.494 3.870 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000525833445 871519909 /nfs/dbraw/zinc/51/99/09/871519909.db2.gz XGRFSWKGFSVGDM-UHFFFAOYSA-N 1 0 379.489 3.885 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000921008189 882525236 /nfs/dbraw/zinc/52/52/36/882525236.db2.gz PWUDGTPJFOVQBR-UHFFFAOYSA-N 1 0 391.849 3.894 20 30 GHEDRO COC(=O)CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181941416 871659332 /nfs/dbraw/zinc/65/93/32/871659332.db2.gz VSAQCBSCFGGJNB-HSZRJFAPSA-N 1 0 391.515 3.807 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000525893951 871678460 /nfs/dbraw/zinc/67/84/60/871678460.db2.gz GOENRCDZZPCNDI-LJQANCHMSA-N 1 0 391.515 3.691 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539305922 871696344 /nfs/dbraw/zinc/69/63/44/871696344.db2.gz XGYIYFYXWKKRTG-KRWDZBQOSA-N 1 0 383.467 3.817 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCC2 ZINC001194446986 871728133 /nfs/dbraw/zinc/72/81/33/871728133.db2.gz SYGWCBOPWZNPHS-ROUUACIJSA-N 1 0 387.549 3.764 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000182028045 871755801 /nfs/dbraw/zinc/75/58/01/871755801.db2.gz MQVPUXVRHATMJP-RHSMWYFYSA-N 1 0 378.394 3.959 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000182028062 871756367 /nfs/dbraw/zinc/75/63/67/871756367.db2.gz MQVPUXVRHATMJP-YOEHRIQHSA-N 1 0 378.394 3.959 20 30 GHEDRO C[N@H+](CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CCCCC1 ZINC000525960299 871799175 /nfs/dbraw/zinc/79/91/75/871799175.db2.gz GTDUTCFTTYFYIT-UHFFFAOYSA-N 1 0 397.548 3.992 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1C1CCCCC1 ZINC000540641004 871821014 /nfs/dbraw/zinc/82/10/14/871821014.db2.gz OULPTORTCVFSPV-UHFFFAOYSA-N 1 0 393.535 3.772 20 30 GHEDRO CC[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(C#N)cc1 ZINC000447575001 871842993 /nfs/dbraw/zinc/84/29/93/871842993.db2.gz PRCXQSDBSSIZEM-JOCHJYFZSA-N 1 0 376.504 3.819 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccc(CC)cc1 ZINC000022686376 871908665 /nfs/dbraw/zinc/90/86/65/871908665.db2.gz DCAXGTRHZJYAQT-UHFFFAOYSA-O 1 0 392.342 3.847 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)C2)cc(OC)c1 ZINC000540708387 871948798 /nfs/dbraw/zinc/94/87/98/871948798.db2.gz WHBQGYMUQGFZJT-KXBFYZLASA-N 1 0 383.467 3.640 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000618798114 871968107 /nfs/dbraw/zinc/96/81/07/871968107.db2.gz VNPIQMARBFQJMF-HSZRJFAPSA-N 1 0 388.515 3.552 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](C[C@@H](O)c3cccc(C#N)c3)CC2)C1 ZINC001194835390 871980368 /nfs/dbraw/zinc/98/03/68/871980368.db2.gz SRDJFFBCVBWEBP-NHCUHLMSSA-N 1 0 399.535 3.561 20 30 GHEDRO C=C(C)C(C)(C)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001169911194 872004510 /nfs/dbraw/zinc/00/45/10/872004510.db2.gz GYFFCSJHQOBVBF-UHFFFAOYSA-N 1 0 388.512 3.680 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000618809398 872015577 /nfs/dbraw/zinc/01/55/77/872015577.db2.gz MHDOUBPKMWWUIV-OAQYLSRUSA-N 1 0 394.544 3.818 20 30 GHEDRO Cc1cc(Cl)c(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001194902996 872020699 /nfs/dbraw/zinc/02/06/99/872020699.db2.gz BMVSKJHEQWXODO-IYARVYRRSA-N 1 0 382.895 3.827 20 30 GHEDRO C#CCCC[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000766912270 872068700 /nfs/dbraw/zinc/06/87/00/872068700.db2.gz AWJVDZRXAXVYIN-HNNXBMFYSA-N 1 0 392.425 3.847 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000526082601 872070881 /nfs/dbraw/zinc/07/08/81/872070881.db2.gz DBNCWUAKKRHSJW-UHFFFAOYSA-N 1 0 381.867 3.734 20 30 GHEDRO Cc1cc(C)c(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccccc2)cc1C ZINC000101535110 872071843 /nfs/dbraw/zinc/07/18/43/872071843.db2.gz LIGGAOBCNHUAOL-UHFFFAOYSA-O 1 0 381.443 3.990 20 30 GHEDRO O=C(c1cc2ccccc2o1)C(C(=S)NCC(F)(F)F)[n+]1ccccc1 ZINC000101535070 872071878 /nfs/dbraw/zinc/07/18/78/872071878.db2.gz KLJMYEMRYOEMPO-UHFFFAOYSA-O 1 0 379.383 3.811 20 30 GHEDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001195124167 872186899 /nfs/dbraw/zinc/18/68/99/872186899.db2.gz SKEWSDOIVGDOTF-OAQYLSRUSA-N 1 0 376.431 3.571 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)CC1 ZINC000767146085 872303431 /nfs/dbraw/zinc/30/34/31/872303431.db2.gz NZHWMYJOCLMSLJ-UHFFFAOYSA-N 1 0 390.352 3.633 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644425 872315349 /nfs/dbraw/zinc/31/53/49/872315349.db2.gz KKBSBYCHCFADMF-ZBFHGGJFSA-N 1 0 397.357 3.937 20 30 GHEDRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C12CCC2 ZINC000478022482 872363581 /nfs/dbraw/zinc/36/35/81/872363581.db2.gz AJDXSINTRASSQS-ROUUACIJSA-N 1 0 387.549 3.717 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](CO)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000552274902 872368151 /nfs/dbraw/zinc/36/81/51/872368151.db2.gz FPDJDZJBICELLX-FQEVSTJZSA-N 1 0 389.421 3.869 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cc(C)sc2C)C(=S)NCCOC)cc1 ZINC000022794401 872388864 /nfs/dbraw/zinc/38/88/64/872388864.db2.gz GVVHJDGBHIAXQC-UHFFFAOYSA-O 1 0 391.582 3.780 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccccc1 ZINC000022797269 872390315 /nfs/dbraw/zinc/39/03/15/872390315.db2.gz AYBBJDVBUQGIRD-UHFFFAOYSA-O 1 0 390.326 3.841 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000527018174 872486491 /nfs/dbraw/zinc/48/64/91/872486491.db2.gz UMEPPRWIUMXHGJ-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@@H]2C1 ZINC000540913531 872489703 /nfs/dbraw/zinc/48/97/03/872489703.db2.gz URLKMIOLQSUZIS-XMSQKQJNSA-N 1 0 375.472 3.711 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2ccccc2N(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000857901969 882626411 /nfs/dbraw/zinc/62/64/11/882626411.db2.gz OSIDHCZYHPCWIF-LJQANCHMSA-N 1 0 397.544 3.559 20 30 GHEDRO Cc1ccccc1-c1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000022850488 872640775 /nfs/dbraw/zinc/64/07/75/872640775.db2.gz MILRILVQDVOHRG-UHFFFAOYSA-N 1 0 387.487 3.625 20 30 GHEDRO C[C@@]1(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1(Cl)Cl ZINC001195892180 872715087 /nfs/dbraw/zinc/71/50/87/872715087.db2.gz FERUMTSYVBQPHW-SFHVURJKSA-N 1 0 390.318 3.654 20 30 GHEDRO C[C@]1(Cc2ccccc2Cl)CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC001196023713 872822542 /nfs/dbraw/zinc/82/25/42/872822542.db2.gz WCNZXZKWKWZVGH-JOCHJYFZSA-N 1 0 381.907 3.925 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000552570287 872833012 /nfs/dbraw/zinc/83/30/12/872833012.db2.gz AQCNCMPIJAFQAB-LJQANCHMSA-N 1 0 385.552 3.540 20 30 GHEDRO COc1cccc(NC(=S)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC001196064417 872835829 /nfs/dbraw/zinc/83/58/29/872835829.db2.gz NUDCAHGLJAKBHC-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000152755084 872840272 /nfs/dbraw/zinc/84/02/72/872840272.db2.gz NHNWJYHHJWKHNS-KRWDZBQOSA-N 1 0 389.517 3.520 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000767875868 872930712 /nfs/dbraw/zinc/93/07/12/872930712.db2.gz IYICJTCCWGIYPD-GOSISDBHSA-N 1 0 387.405 3.683 20 30 GHEDRO COc1ccc(CCC2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000619739357 872940798 /nfs/dbraw/zinc/94/07/98/872940798.db2.gz NJMXRZRKIMZFSN-JPYJTQIMSA-N 1 0 385.552 3.783 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCc4ccc(Br)cc43)CC2)nc1 ZINC000619753575 872962412 /nfs/dbraw/zinc/96/24/12/872962412.db2.gz GDCIPHABDRDFNX-LJQANCHMSA-N 1 0 397.320 3.962 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000619760985 872974896 /nfs/dbraw/zinc/97/48/96/872974896.db2.gz CMONCPDBVLUQQK-SFHVURJKSA-N 1 0 382.895 3.533 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000552683291 872992363 /nfs/dbraw/zinc/99/23/63/872992363.db2.gz PPUPWGNQEYGQNY-GCJKJVERSA-N 1 0 389.499 3.836 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000619770643 873007475 /nfs/dbraw/zinc/00/74/75/873007475.db2.gz JXPXKZUMOZZPSJ-BEFAXECRSA-N 1 0 382.895 3.674 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)CC1 ZINC001196329254 873034170 /nfs/dbraw/zinc/03/41/70/873034170.db2.gz UDAPSHOYZXDUND-UHFFFAOYSA-N 1 0 377.488 3.781 20 30 GHEDRO COc1cc(NC(=S)Nc2ccccc2C#N)ccc1OCC[NH+]1CCCC1 ZINC001196332044 873037891 /nfs/dbraw/zinc/03/78/91/873037891.db2.gz WOVYOPLRDKSSGP-UHFFFAOYSA-N 1 0 396.516 3.850 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000619810487 873064946 /nfs/dbraw/zinc/06/49/46/873064946.db2.gz CWRKBCDEJHSHMW-KRWDZBQOSA-N 1 0 388.924 3.909 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470014600 873134494 /nfs/dbraw/zinc/13/44/94/873134494.db2.gz CMEVOMKOSNCFDB-MUKKUYKPSA-N 1 0 398.334 3.889 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCc3c(CC(N)=O)cccc3C2)cc1 ZINC001196862205 873441123 /nfs/dbraw/zinc/44/11/23/873441123.db2.gz YEXORNBPJDXRIK-UHFFFAOYSA-N 1 0 381.479 3.811 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000541380811 873481831 /nfs/dbraw/zinc/48/18/31/873481831.db2.gz SCVHKXSUJMEKCJ-UNMCSNQZSA-N 1 0 384.524 3.577 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000768692044 873500809 /nfs/dbraw/zinc/50/08/09/873500809.db2.gz JBFYVQVKMXVCGL-FUHWJXTLSA-N 1 0 391.471 3.532 20 30 GHEDRO N#Cc1cc(F)ccc1N1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC001197041044 873534809 /nfs/dbraw/zinc/53/48/09/873534809.db2.gz GGEXLEWMGASERM-HSZRJFAPSA-N 1 0 389.474 3.576 20 30 GHEDRO CCOc1cccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000527745702 873548319 /nfs/dbraw/zinc/54/83/19/873548319.db2.gz OWZQBTLEHPDJBE-UHFFFAOYSA-N 1 0 391.515 3.624 20 30 GHEDRO COc1cc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC001197032317 873555737 /nfs/dbraw/zinc/55/57/37/873555737.db2.gz PBSVCEPYDKSSCM-YADHBBJMSA-N 1 0 391.515 3.672 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@H]2CC ZINC001169995575 873571745 /nfs/dbraw/zinc/57/17/45/873571745.db2.gz RJGJHVFIPJLBNE-AVRDEDQJSA-N 1 0 377.573 3.819 20 30 GHEDRO Cn1c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)nc2cc(Cl)ccc21 ZINC000527807291 873627140 /nfs/dbraw/zinc/62/71/40/873627140.db2.gz CDQHRNNGHIKQMW-UHFFFAOYSA-N 1 0 380.879 3.894 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000464398041 873783887 /nfs/dbraw/zinc/78/38/87/873783887.db2.gz VMUUATMOLGLKQQ-GCJKJVERSA-N 1 0 394.515 3.900 20 30 GHEDRO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000769335042 873975979 /nfs/dbraw/zinc/97/59/79/873975979.db2.gz SLHDOPOMNDIFLA-QGZVFWFLSA-N 1 0 376.497 3.701 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001197703449 873990394 /nfs/dbraw/zinc/99/03/94/873990394.db2.gz QMGXGWVUNCIZID-UHFFFAOYSA-N 1 0 376.529 3.853 20 30 GHEDRO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001197761038 873999371 /nfs/dbraw/zinc/99/93/71/873999371.db2.gz ZBDRWYOTMSFGIK-IEBWSBKVSA-N 1 0 387.524 3.810 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000769419776 874034490 /nfs/dbraw/zinc/03/44/90/874034490.db2.gz NUQNBPIVLRNDGV-SFHVURJKSA-N 1 0 377.406 3.658 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC001198122170 874242726 /nfs/dbraw/zinc/24/27/26/874242726.db2.gz AFYWJLYTGJIISE-FQEVSTJZSA-N 1 0 387.483 3.763 20 30 GHEDRO COc1ccc(-n2cc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cn2)cc1 ZINC000449020140 874334940 /nfs/dbraw/zinc/33/49/40/874334940.db2.gz YJBKJWUWLBNOBZ-UHFFFAOYSA-N 1 0 388.471 3.796 20 30 GHEDRO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001198328949 874355933 /nfs/dbraw/zinc/35/59/33/874355933.db2.gz XJAGXPBXRYNSQI-PKOBYXMFSA-N 1 0 387.524 3.810 20 30 GHEDRO C#CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1 ZINC000153154638 882821494 /nfs/dbraw/zinc/82/14/94/882821494.db2.gz OVLZUFCYCIWXOT-UHFFFAOYSA-N 1 0 380.513 3.808 20 30 GHEDRO CCOC(=O)CC1([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCOCC1 ZINC000595877956 874509362 /nfs/dbraw/zinc/50/93/62/874509362.db2.gz NTRWYDXDRFYHGA-UHFFFAOYSA-N 1 0 378.472 3.817 20 30 GHEDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000464826767 874588117 /nfs/dbraw/zinc/58/81/17/874588117.db2.gz HJXAGTYWWHISMT-JXFKEZNVSA-N 1 0 375.538 3.572 20 30 GHEDRO CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844944 874620786 /nfs/dbraw/zinc/62/07/86/874620786.db2.gz CJPAOHQSROYVKR-SFHVURJKSA-N 1 0 396.922 3.604 20 30 GHEDRO N#Cc1cccc([C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000770392173 874644012 /nfs/dbraw/zinc/64/40/12/874644012.db2.gz RPUIZUWUEABANF-DEOSSOPVSA-N 1 0 391.515 3.606 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CCOc3cccc(C#N)c3)C[C@H]1CCCC2 ZINC001198838475 874675357 /nfs/dbraw/zinc/67/53/57/874675357.db2.gz ZSCIIPIJQXRGHN-AUSIDOKSSA-N 1 0 399.535 3.954 20 30 GHEDRO C=C[C@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000192220677 882854738 /nfs/dbraw/zinc/85/47/38/882854738.db2.gz NDRNYBLTKKMKFT-GGAORHGYSA-N 1 0 378.516 3.754 20 30 GHEDRO CCCCCCC[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001199021557 874749425 /nfs/dbraw/zinc/74/94/25/874749425.db2.gz LIVJTGSJRLJFFP-QGZVFWFLSA-N 1 0 379.549 3.910 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(C#N)cc1 ZINC000271719516 874784422 /nfs/dbraw/zinc/78/44/22/874784422.db2.gz XLGBDBJOEYNPGB-CYBMUJFWSA-N 1 0 385.851 3.662 20 30 GHEDRO COc1cccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2(C)C)c1 ZINC000528616868 874801445 /nfs/dbraw/zinc/80/14/45/874801445.db2.gz BVAXMUWLYQWPAA-OFNKIYASSA-N 1 0 394.515 3.627 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000542123850 874985692 /nfs/dbraw/zinc/98/56/92/874985692.db2.gz YYVHGLJVAAPOCZ-UHFFFAOYSA-N 1 0 394.357 3.896 20 30 GHEDRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(C#N)s2)cc1Br ZINC000449599817 875120362 /nfs/dbraw/zinc/12/03/62/875120362.db2.gz MGEFSSNEYKQKQG-AWEZNQCLSA-N 1 0 379.323 3.632 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000192355021 882898967 /nfs/dbraw/zinc/89/89/67/882898967.db2.gz AAZHWDMYJXQCTJ-NRFANRHFSA-N 1 0 377.488 3.923 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)ccc1OC ZINC000449666495 875212743 /nfs/dbraw/zinc/21/27/43/875212743.db2.gz HGVISRVHIRCLQL-IBGZPJMESA-N 1 0 378.476 3.690 20 30 GHEDRO Cc1cc(N2CCC([NH2+]Cc3cccc(OCCCC#N)c3)CC2)nc(C)n1 ZINC000178615598 882927095 /nfs/dbraw/zinc/92/70/95/882927095.db2.gz JJQPCWPGTVRMSW-UHFFFAOYSA-N 1 0 379.508 3.535 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)c2)nc1 ZINC001201021311 875442129 /nfs/dbraw/zinc/44/21/29/875442129.db2.gz JHTCTTPRDAGEAJ-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000776155152 875638363 /nfs/dbraw/zinc/63/83/63/875638363.db2.gz ZTMCQQXWTPWMCA-PGRDOPGGSA-N 1 0 379.504 3.719 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCn3ccc4ccccc43)CC2)cc1 ZINC000029984957 875763664 /nfs/dbraw/zinc/76/36/64/875763664.db2.gz XAYKOGMWVDDVMC-UHFFFAOYSA-N 1 0 386.499 3.638 20 30 GHEDRO N#Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000491552206 875797317 /nfs/dbraw/zinc/79/73/17/875797317.db2.gz HWSHWANLIPRVRP-FQEVSTJZSA-N 1 0 387.405 3.629 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000858245086 882971369 /nfs/dbraw/zinc/97/13/69/882971369.db2.gz MYBBYQAOXTWOJS-KKSFZXQISA-N 1 0 385.895 3.626 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC001201953824 875952317 /nfs/dbraw/zinc/95/23/17/875952317.db2.gz AMGGBQDVKAZAJG-UHFFFAOYSA-N 1 0 386.434 3.573 20 30 GHEDRO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001201989797 875972321 /nfs/dbraw/zinc/97/23/21/875972321.db2.gz TXRPOPOWKUDVCR-XMMPIXPASA-N 1 0 399.494 3.584 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](O)c3c(F)cccc3Cl)CC2)cc1 ZINC000271911532 875976041 /nfs/dbraw/zinc/97/60/41/875976041.db2.gz YAUCKOVPBYXXQM-HXUWFJFHSA-N 1 0 387.886 3.638 20 30 GHEDRO Cn1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C2CCCC2)n1 ZINC001202075078 876005109 /nfs/dbraw/zinc/00/51/09/876005109.db2.gz YHBTYUPLWWIMAS-UHFFFAOYSA-N 1 0 379.508 3.824 20 30 GHEDRO COC(=O)c1cccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000450215234 876094989 /nfs/dbraw/zinc/09/49/89/876094989.db2.gz JPMAFXXOXQLMIO-UHFFFAOYSA-N 1 0 397.906 3.706 20 30 GHEDRO COC(=O)c1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000450219138 876104632 /nfs/dbraw/zinc/10/46/32/876104632.db2.gz VKADLNGCHVPLBX-UHFFFAOYSA-N 1 0 397.906 3.706 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000121779110 876232019 /nfs/dbraw/zinc/23/20/19/876232019.db2.gz BYOFALVTPDSRHB-OALUTQOASA-N 1 0 390.531 3.856 20 30 GHEDRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C1CCN(CC#N)CC1 ZINC000609335226 883028956 /nfs/dbraw/zinc/02/89/56/883028956.db2.gz YMVYMNLINOFGSN-UHFFFAOYSA-N 1 0 385.515 3.925 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000108522507 876484778 /nfs/dbraw/zinc/48/47/78/876484778.db2.gz ISJWZQLHNZKORL-KRWDZBQOSA-N 1 0 383.517 3.794 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCNC(=O)C2CCC2)cc1 ZINC000304747317 876498798 /nfs/dbraw/zinc/49/87/98/876498798.db2.gz VTFSGZWDQSKBRP-UHFFFAOYSA-N 1 0 378.520 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]Cc3ccc(C#N)cn3)cc2C1 ZINC000850266147 876762977 /nfs/dbraw/zinc/76/29/77/876762977.db2.gz QSGFMBUWBYPHIZ-UHFFFAOYSA-N 1 0 378.476 3.536 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cc(COC)cs1 ZINC000850377326 876862200 /nfs/dbraw/zinc/86/22/00/876862200.db2.gz BJDBTAWNDGZCLB-UHFFFAOYSA-N 1 0 380.307 3.959 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cc(Br)ccc3O)CCOCC2)c1 ZINC000850384559 876869282 /nfs/dbraw/zinc/86/92/82/876869282.db2.gz XPHVKODRFBCBRT-UHFFFAOYSA-N 1 0 387.277 3.822 20 30 GHEDRO NC(=[NH+]OC/C=C\c1ccc(Cl)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000786747550 876901019 /nfs/dbraw/zinc/90/10/19/876901019.db2.gz YBPKVIOZMANKQW-UPHRSURJSA-N 1 0 385.895 3.651 20 30 GHEDRO Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1C#N ZINC000786878938 877003115 /nfs/dbraw/zinc/00/31/15/877003115.db2.gz BATJDEZERYSUII-FQEVSTJZSA-N 1 0 378.476 3.503 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)c3cccc(C[NH+]4CCCC4)c3)CCOCC2)cc1 ZINC000530059699 877017847 /nfs/dbraw/zinc/01/78/47/877017847.db2.gz BKFPPJKBYDVZAZ-UHFFFAOYSA-N 1 0 389.499 3.590 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1cccc(C)c1 ZINC000804602035 883090848 /nfs/dbraw/zinc/09/08/48/883090848.db2.gz WUWFTWFZWFSGPM-UHFFFAOYSA-O 1 0 380.415 3.683 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)CC1 ZINC000746664137 877270562 /nfs/dbraw/zinc/27/05/62/877270562.db2.gz XOLNCPUSPACMNA-UHFFFAOYSA-N 1 0 381.545 3.895 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21 ZINC000451082651 877339402 /nfs/dbraw/zinc/33/94/02/877339402.db2.gz GVWRGGBIKOAOPR-SFHVURJKSA-N 1 0 375.881 3.561 20 30 GHEDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000787327915 877348800 /nfs/dbraw/zinc/34/88/00/877348800.db2.gz PIPMOWVOKNKIMV-XJKSGUPXSA-N 1 0 388.393 3.886 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CC1 ZINC000477285680 877357240 /nfs/dbraw/zinc/35/72/40/877357240.db2.gz DHVAPFODGOLXCO-QFIPXVFZSA-N 1 0 391.515 3.742 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000451101968 877395484 /nfs/dbraw/zinc/39/54/84/877395484.db2.gz AXSIXTPDYQYBBZ-LSDHHAIUSA-N 1 0 384.411 3.720 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460542094 877437101 /nfs/dbraw/zinc/43/71/01/877437101.db2.gz CFLAKLMRHXCWJT-NRFANRHFSA-N 1 0 395.551 3.841 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451155557 877470606 /nfs/dbraw/zinc/47/06/06/877470606.db2.gz PWHKVFDVWZNQJU-AWEZNQCLSA-N 1 0 375.900 3.556 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999502 877496790 /nfs/dbraw/zinc/49/67/90/877496790.db2.gz QDTUBZBAHUYNOI-OAHLLOKOSA-N 1 0 395.341 3.787 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1)C(=O)OC(C)(C)C ZINC000179450546 877572841 /nfs/dbraw/zinc/57/28/41/877572841.db2.gz IRAUOAQKKKLDDN-LJQANCHMSA-N 1 0 386.540 3.725 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000477477185 877703245 /nfs/dbraw/zinc/70/32/45/877703245.db2.gz CRUQAAQVMNRWAJ-IGBVOLGGSA-N 1 0 398.551 3.810 20 30 GHEDRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551802313 877817527 /nfs/dbraw/zinc/81/75/27/877817527.db2.gz CWCSZHIYLMOQOP-ORAYPTAESA-N 1 0 399.292 3.834 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC000477625261 877942027 /nfs/dbraw/zinc/94/20/27/877942027.db2.gz HNAZMNXYADHGED-UHFFFAOYSA-N 1 0 385.508 3.558 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451420018 877948382 /nfs/dbraw/zinc/94/83/82/877948382.db2.gz OJXAHKIRTYAEGM-PDGJWGCVSA-N 1 0 383.536 3.564 20 30 GHEDRO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000851899909 877967711 /nfs/dbraw/zinc/96/77/11/877967711.db2.gz JZEHPERXARIAQB-LBPRGKRZSA-N 1 0 376.254 3.606 20 30 GHEDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000110311295 877987870 /nfs/dbraw/zinc/98/78/70/877987870.db2.gz AHAPQDQCVUXFBW-HXUWFJFHSA-N 1 0 377.488 3.627 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000451476835 877988874 /nfs/dbraw/zinc/98/88/74/877988874.db2.gz VVENGZCGJGXBOX-ZWKOTPCHSA-N 1 0 375.900 3.524 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cccc(C#N)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183152306 912312236 /nfs/dbraw/zinc/31/22/36/912312236.db2.gz XTYGOGQCUUBJHL-KRWDZBQOSA-N 1 0 380.492 3.634 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460551031 878164522 /nfs/dbraw/zinc/16/45/22/878164522.db2.gz LOAGEJYNLCZSMQ-APWZRJJASA-N 1 0 399.514 3.806 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OC ZINC000788640982 878232519 /nfs/dbraw/zinc/23/25/19/878232519.db2.gz UXIIISDXLUMBSN-CJNGLKHVSA-N 1 0 384.436 3.717 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460588693 878235001 /nfs/dbraw/zinc/23/50/01/878235001.db2.gz YJTFHEZAGDTMOK-TZIWHRDSSA-N 1 0 397.567 3.880 20 30 GHEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473406 878351615 /nfs/dbraw/zinc/35/16/15/878351615.db2.gz MWPPTYBUPKWAIU-YJBOKZPZSA-N 1 0 397.416 3.853 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@@]2(C1)CN(C[C@H](C)CC(F)(F)F)C(=O)CO2 ZINC001275115321 912338723 /nfs/dbraw/zinc/33/87/23/912338723.db2.gz VQSLWXVSRMEFSQ-SJLPKXTDSA-N 1 0 378.479 3.849 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)nc1 ZINC000493106464 878417532 /nfs/dbraw/zinc/41/75/32/878417532.db2.gz UJGRVEPVYZPVDS-GOSISDBHSA-N 1 0 384.549 3.944 20 30 GHEDRO C[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)Cc1cccc(C#N)c1 ZINC000537877857 878444054 /nfs/dbraw/zinc/44/40/54/878444054.db2.gz XWYKALCQHFHVBN-UHFFFAOYSA-N 1 0 377.517 3.698 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC000852600908 878457136 /nfs/dbraw/zinc/45/71/36/878457136.db2.gz NITPAOQJBBZKOC-SFHVURJKSA-N 1 0 379.426 3.571 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852729162 878556567 /nfs/dbraw/zinc/55/65/67/878556567.db2.gz LHSMNMIXAQNYPF-SFTDATJTSA-N 1 0 385.895 3.888 20 30 GHEDRO CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852829981 878624122 /nfs/dbraw/zinc/62/41/22/878624122.db2.gz FDPPJTZQCUPZTE-UHFFFAOYSA-N 1 0 379.504 3.516 20 30 GHEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000177283867 878631800 /nfs/dbraw/zinc/63/18/00/878631800.db2.gz VKSUWEXZYQDWAG-HXUWFJFHSA-N 1 0 377.406 3.566 20 30 GHEDRO CC/C(=C/C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000746799635 878802029 /nfs/dbraw/zinc/80/20/29/878802029.db2.gz HXQVZVNSBYARPE-PGMHBOJBSA-N 1 0 391.515 3.951 20 30 GHEDRO C=C(C)C[NH+]1CCC(N2C(=O)[C@H](c3cccc(Cl)c3Cl)N(C)C2=O)CC1 ZINC000853085676 878805327 /nfs/dbraw/zinc/80/53/27/878805327.db2.gz VHBIZHZJKAAKHU-KRWDZBQOSA-N 1 0 396.318 3.969 20 30 GHEDRO C=C(C)Cn1c(CC(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460922536 878827272 /nfs/dbraw/zinc/82/72/72/878827272.db2.gz BDZVQFFYSFFPLN-UHFFFAOYSA-N 1 0 392.551 3.637 20 30 GHEDRO N#Cc1ncc(Br)cc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000853160626 878852813 /nfs/dbraw/zinc/85/28/13/878852813.db2.gz XJVDIWSMKMBTDT-UHFFFAOYSA-N 1 0 385.309 3.835 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452063564 878891470 /nfs/dbraw/zinc/89/14/70/878891470.db2.gz WZESUPUVRKOZPN-SFHVURJKSA-N 1 0 389.908 3.705 20 30 GHEDRO C#CCCN(CCOC)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000853285615 878950359 /nfs/dbraw/zinc/95/03/59/878950359.db2.gz YAUGFVBQRLXDNU-UHFFFAOYSA-N 1 0 393.531 3.597 20 30 GHEDRO CC(C)(CN1CCCC1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452092554 878954438 /nfs/dbraw/zinc/95/44/38/878954438.db2.gz VDMQCQBSDUELNN-UHFFFAOYSA-N 1 0 388.581 3.681 20 30 GHEDRO CCc1cc[n+](C(C(=O)C2C=CC(=NC(C)=O)C=C2)C(=S)NC2(C)CC2)cc1 ZINC000789411093 878955759 /nfs/dbraw/zinc/95/57/59/878955759.db2.gz IZKLPOPBCDLUTL-UHFFFAOYSA-O 1 0 396.536 3.660 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@H](C3CCCCC3)C2)nc1-c1cnccn1 ZINC000853555485 879111635 /nfs/dbraw/zinc/11/16/35/879111635.db2.gz XCKKQHFGRZZVLE-KRWDZBQOSA-N 1 0 384.553 3.917 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531153866 879214757 /nfs/dbraw/zinc/21/47/57/879214757.db2.gz QNHLHYZXZJIZDZ-QAPCUYQASA-N 1 0 395.425 3.921 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3cc(Br)cnc3C#N)CC2)c1 ZINC000853716641 879239285 /nfs/dbraw/zinc/23/92/85/879239285.db2.gz RAROGFHAIIHCJN-UHFFFAOYSA-N 1 0 396.292 3.664 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180817058 879375397 /nfs/dbraw/zinc/37/53/97/879375397.db2.gz DCKQIMHWSKLULQ-ZAPUSCAOSA-N 1 0 386.517 3.964 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000069078221 879515398 /nfs/dbraw/zinc/51/53/98/879515398.db2.gz FCEPRDHPAMDURU-OAQYLSRUSA-N 1 0 382.552 3.500 20 30 GHEDRO CC(C)N1C(=O)C[C@H]([NH2+]Cc2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000617252590 879534714 /nfs/dbraw/zinc/53/47/14/879534714.db2.gz JDCDONYYQQGURP-AZUAARDMSA-N 1 0 386.858 3.586 20 30 GHEDRO CC[C@@H]1CN(c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000461364589 879673239 /nfs/dbraw/zinc/67/32/39/879673239.db2.gz WBPSRBXZLARXMK-GOSISDBHSA-N 1 0 382.895 3.751 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCCC)CC1 ZINC000538572028 879742968 /nfs/dbraw/zinc/74/29/68/879742968.db2.gz XACHZKZDVSDZFO-UHFFFAOYSA-N 1 0 377.510 3.867 20 30 GHEDRO N#CCn1c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc2ccccc21 ZINC000609163601 879799754 /nfs/dbraw/zinc/79/97/54/879799754.db2.gz KYGLSVVAQQYIST-UHFFFAOYSA-N 1 0 386.499 3.602 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000152850734 879804763 /nfs/dbraw/zinc/80/47/63/879804763.db2.gz VDXAFOFMKQCRBN-UHFFFAOYSA-N 1 0 393.572 3.570 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@@H](C)[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000493982444 879814984 /nfs/dbraw/zinc/81/49/84/879814984.db2.gz ALTWMDSGACQFHU-IRXDYDNUSA-N 1 0 396.487 3.539 20 30 GHEDRO CC(C)C#CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000854504358 879858953 /nfs/dbraw/zinc/85/89/53/879858953.db2.gz OZMNOAALZPGDQB-UHFFFAOYSA-N 1 0 377.326 3.531 20 30 GHEDRO COc1cc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1C#N ZINC000854578027 879917802 /nfs/dbraw/zinc/91/78/02/879917802.db2.gz BLPYBAFGMVNEPZ-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO CC(C)C#CC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000854595662 879936047 /nfs/dbraw/zinc/93/60/47/879936047.db2.gz AGZMDUXYFMOSCR-QHCPKHFHSA-N 1 0 375.516 3.734 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCn1c2ccccc2c2ccccc21 ZINC000609167336 879941012 /nfs/dbraw/zinc/94/10/12/879941012.db2.gz RWJGXZCIBLKTFY-UHFFFAOYSA-N 1 0 376.504 3.879 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1=S ZINC000795700196 912537786 /nfs/dbraw/zinc/53/77/86/912537786.db2.gz HWAXYHWRUWRPTQ-HKUYNNGSSA-N 1 0 398.580 3.568 20 30 GHEDRO Cc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000112925179 880222818 /nfs/dbraw/zinc/22/28/18/880222818.db2.gz HRTOCHPNSHOEBV-UHFFFAOYSA-N 1 0 378.520 3.770 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCC[C@H](O)c3ccccc3)CC2)c1 ZINC000855034673 880230157 /nfs/dbraw/zinc/23/01/57/880230157.db2.gz YSWNBNQHTJOWRF-QHCPKHFHSA-N 1 0 391.515 3.543 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)CC1 ZINC000173272915 880258057 /nfs/dbraw/zinc/25/80/57/880258057.db2.gz PEAGFURUCSMXAK-UHFFFAOYSA-N 1 0 395.956 3.546 20 30 GHEDRO C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000855162385 880314877 /nfs/dbraw/zinc/31/48/77/880314877.db2.gz XHLYBLVSMVQJJN-VGSWGCGISA-N 1 0 393.572 3.569 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CC2(c3ccc(OC)cc3)CCOCC2)cc1 ZINC000113327633 880517389 /nfs/dbraw/zinc/51/73/89/880517389.db2.gz CXBGCYAKWGIKFT-UHFFFAOYSA-N 1 0 379.500 3.935 20 30 GHEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000185830038 880704176 /nfs/dbraw/zinc/70/41/76/880704176.db2.gz RAWYMBGTXYKSKA-DZGCQCFKSA-N 1 0 399.354 3.673 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)C(C)C ZINC000186015095 880762027 /nfs/dbraw/zinc/76/20/27/880762027.db2.gz IHNTWHWSKRDSTG-NRFANRHFSA-N 1 0 382.483 3.711 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000453416134 880881988 /nfs/dbraw/zinc/88/19/88/880881988.db2.gz USHAQLHJAJCFKV-DYXWJJEUSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453441331 880903083 /nfs/dbraw/zinc/90/30/83/880903083.db2.gz OCGOKPFCTRNWDI-YCRNBWNJSA-N 1 0 395.551 3.589 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453444815 880909699 /nfs/dbraw/zinc/90/96/99/880909699.db2.gz TVCQYOVXDURYLQ-WOIUINJBSA-N 1 0 387.572 3.581 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453447309 880915199 /nfs/dbraw/zinc/91/51/99/880915199.db2.gz AKBVGEZJHBPTCY-UHFFFAOYSA-N 1 0 396.461 3.702 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cc1ccccc1CC#N ZINC000776868806 880917976 /nfs/dbraw/zinc/91/79/76/880917976.db2.gz HNNVQAWLFCYJHL-UHFFFAOYSA-N 1 0 379.529 3.791 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453423225 880922087 /nfs/dbraw/zinc/92/20/87/880922087.db2.gz CJTYRNMDTAXEMF-QHAWAJNXSA-N 1 0 395.551 3.628 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453431574 880935024 /nfs/dbraw/zinc/93/50/24/880935024.db2.gz AAOFJZVZQKDWPM-LEWJYISDSA-N 1 0 395.551 3.664 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453459988 880960353 /nfs/dbraw/zinc/96/03/53/880960353.db2.gz DEBUUJIUBKTATP-RTWAWAEBSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](CC3CCCCC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453463682 880963617 /nfs/dbraw/zinc/96/36/17/880963617.db2.gz JDPDDVWLNXXGFM-JOCHJYFZSA-N 1 0 387.572 3.582 20 30 GHEDRO C#CCOc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792196641 880981815 /nfs/dbraw/zinc/98/18/15/880981815.db2.gz QHVRPBLYJFUTSH-UHFFFAOYSA-N 1 0 380.307 3.517 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)cccc3Cl)CC2)C1=O ZINC001275206078 912634062 /nfs/dbraw/zinc/63/40/62/912634062.db2.gz CITFQOQHXDYQGU-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000856254806 881068093 /nfs/dbraw/zinc/06/80/93/881068093.db2.gz KHCDQHAOWFFJJP-IBGZPJMESA-N 1 0 389.337 3.678 20 30 GHEDRO C=CCN1CC[C@]2(CCCN2Cc2cc(F)c(C)c(Br)c2)C1=O ZINC001275212804 912645262 /nfs/dbraw/zinc/64/52/62/912645262.db2.gz LUEKKRIGHDCAOK-GOSISDBHSA-N 1 0 381.289 3.650 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000856476280 881275713 /nfs/dbraw/zinc/27/57/13/881275713.db2.gz STFIAQGECNDMTE-YBNHLDJLSA-N 1 0 384.520 3.511 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCC(=O)Nc2ccccn2)c1 ZINC000609433274 883161971 /nfs/dbraw/zinc/16/19/71/883161971.db2.gz RCCYAXSJUPDFMI-UHFFFAOYSA-N 1 0 386.455 3.651 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1 ZINC000609460055 883219697 /nfs/dbraw/zinc/21/96/97/883219697.db2.gz YOQATUQSHQSYDN-PGRDOPGGSA-N 1 0 390.531 3.773 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000609514058 883280440 /nfs/dbraw/zinc/28/04/40/883280440.db2.gz VRFPNZNPLMPWRS-UHFFFAOYSA-N 1 0 377.488 3.959 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2)cc1 ZINC000609521671 883284127 /nfs/dbraw/zinc/28/41/27/883284127.db2.gz QRJNEUVTCPCPQS-HXUWFJFHSA-N 1 0 375.472 3.759 20 30 GHEDRO CC(C)[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1CCCC1 ZINC000609616273 883459993 /nfs/dbraw/zinc/45/99/93/883459993.db2.gz ZRERJRMDXZXVEU-QHCPKHFHSA-N 1 0 391.515 3.874 20 30 GHEDRO C#CCCCS(=O)(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000804945883 883478029 /nfs/dbraw/zinc/47/80/29/883478029.db2.gz UUACKPXDNFDXEO-UHFFFAOYSA-N 1 0 396.556 3.782 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000804929354 883494569 /nfs/dbraw/zinc/49/45/69/883494569.db2.gz HQHWRWWYORAPNN-QHCPKHFHSA-N 1 0 393.506 3.724 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CC[NH+](C)CC1 ZINC000609664194 883508174 /nfs/dbraw/zinc/50/81/74/883508174.db2.gz XDDHDGNSKIWCFJ-QGZVFWFLSA-N 1 0 377.488 3.597 20 30 GHEDRO COc1cc(OC)cc(Oc2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)c1 ZINC000551237323 883528657 /nfs/dbraw/zinc/52/86/57/883528657.db2.gz CQBIQCUKHOHCOO-UHFFFAOYSA-N 1 0 377.444 3.996 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000078714844 883559830 /nfs/dbraw/zinc/55/98/30/883559830.db2.gz NMNBMERLCBRFIW-UHFFFAOYSA-N 1 0 377.532 3.699 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000859212874 883665595 /nfs/dbraw/zinc/66/55/95/883665595.db2.gz CPBANYMKGPFFHW-UHFFFAOYSA-N 1 0 392.547 3.744 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccccc2Cn2cccn2)cc1OCCCC#N ZINC000064613772 883753646 /nfs/dbraw/zinc/75/36/46/883753646.db2.gz SHALCQIDTGRHJL-UHFFFAOYSA-N 1 0 390.487 3.912 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000859587067 883915857 /nfs/dbraw/zinc/91/58/57/883915857.db2.gz XEBRYVBPPNBBHK-GBXCKJPGSA-N 1 0 391.515 3.614 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000805785541 884067669 /nfs/dbraw/zinc/06/76/69/884067669.db2.gz GZQKDXRWPQBFPB-URXFXBBRSA-N 1 0 389.543 3.927 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000487806426 884106076 /nfs/dbraw/zinc/10/60/76/884106076.db2.gz WLJXZHJTQULKDP-WZONZLPQSA-N 1 0 376.504 3.973 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](O)C(F)(F)F ZINC000498358377 884141700 /nfs/dbraw/zinc/14/17/00/884141700.db2.gz CCGMZIJPUKTSDF-RTBURBONSA-N 1 0 378.394 3.929 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929858 884180378 /nfs/dbraw/zinc/18/03/78/884180378.db2.gz MOSNXJMPSKEQOC-GBESFXJTSA-N 1 0 377.513 3.976 20 30 GHEDRO CC(C)c1ccc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000498374863 884216760 /nfs/dbraw/zinc/21/67/60/884216760.db2.gz OCHOKYBPSDPWRT-UHFFFAOYSA-N 1 0 379.504 3.651 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000102751400 884404209 /nfs/dbraw/zinc/40/42/09/884404209.db2.gz JTTHKYWJEJMREZ-UHFFFAOYSA-N 1 0 395.503 3.972 20 30 GHEDRO Cc1ccc(Br)cc1CN1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001275248841 912832063 /nfs/dbraw/zinc/83/20/63/912832063.db2.gz SLONTSOGFZGCBS-IBGZPJMESA-N 1 0 390.325 3.628 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCC(=O)Nc1sccc1C#N ZINC000610451933 884599402 /nfs/dbraw/zinc/59/94/02/884599402.db2.gz OVBCTDDIVDQJCX-KRWDZBQOSA-N 1 0 382.533 3.545 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001122553775 884646935 /nfs/dbraw/zinc/64/69/35/884646935.db2.gz XNQLOYMKGABJHQ-SLFFLAALSA-N 1 0 394.567 3.700 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000498515649 884684261 /nfs/dbraw/zinc/68/42/61/884684261.db2.gz JIBDHIVBXPXHIX-RTBURBONSA-N 1 0 375.516 3.895 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000860461449 884696664 /nfs/dbraw/zinc/69/66/64/884696664.db2.gz KJNWIEVZFOELLA-JOCHJYFZSA-N 1 0 392.503 3.963 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000533053869 884732621 /nfs/dbraw/zinc/73/26/21/884732621.db2.gz LZHMRXWWVXPPFU-FKBYEOEOSA-N 1 0 396.579 3.887 20 30 GHEDRO CC(C)(CC#N)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000860658537 884890708 /nfs/dbraw/zinc/89/07/08/884890708.db2.gz KZCNXKKVNSQCJK-QZTJIDSGSA-N 1 0 383.517 3.842 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000806639955 884891622 /nfs/dbraw/zinc/89/16/22/884891622.db2.gz WFMMEFLVVLLJRM-HXUWFJFHSA-N 1 0 381.545 3.805 20 30 GHEDRO Cc1ccc2nc(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)cn2c1 ZINC000860856152 885055574 /nfs/dbraw/zinc/05/55/74/885055574.db2.gz FNHGWGNUUJTYRM-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000460378684 885159720 /nfs/dbraw/zinc/15/97/20/885159720.db2.gz ZDFPHMQBKGEBNR-WMZOPIPTSA-N 1 0 385.943 3.771 20 30 GHEDRO CCOC(=O)C1=C(Nc2cc(C#N)cc(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522222 885378274 /nfs/dbraw/zinc/37/82/74/885378274.db2.gz CRJKRBNTMUGJQR-UHFFFAOYSA-N 1 0 386.455 3.565 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)CC1 ZINC000107597074 885412633 /nfs/dbraw/zinc/41/26/33/885412633.db2.gz RLNGRQAZMZUHMF-UHFFFAOYSA-N 1 0 396.535 3.677 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000807468667 885463458 /nfs/dbraw/zinc/46/34/58/885463458.db2.gz AKONUKLHYHCXAN-HSZRJFAPSA-N 1 0 389.543 3.927 20 30 GHEDRO N#CC1(NC(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC001183984027 912943283 /nfs/dbraw/zinc/94/32/83/912943283.db2.gz CKBSNRXTOVPWEH-UHFFFAOYSA-N 1 0 391.515 3.658 20 30 GHEDRO Cc1nc(SCC(=O)NCCCCC[NH+]2CCCCC2)c(C#N)c(C)c1C ZINC000110436303 885536758 /nfs/dbraw/zinc/53/67/58/885536758.db2.gz ZXYVXXURANENRL-UHFFFAOYSA-N 1 0 388.581 3.743 20 30 GHEDRO C#CCOc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1 ZINC000777201378 885655804 /nfs/dbraw/zinc/65/58/04/885655804.db2.gz BKOLGDSUEJKYQZ-GOSISDBHSA-N 1 0 378.520 3.797 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000532469871 885656645 /nfs/dbraw/zinc/65/66/45/885656645.db2.gz QFRLTNCGUZJAQO-UXPWSPDFSA-N 1 0 377.492 3.583 20 30 GHEDRO C[C@H](O)C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000532559659 886066882 /nfs/dbraw/zinc/06/68/82/886066882.db2.gz SUKHLKFCZXYWHC-HNNXBMFYSA-N 1 0 389.565 3.843 20 30 GHEDRO N#Cc1ccsc1NC(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000532566163 886101827 /nfs/dbraw/zinc/10/18/27/886101827.db2.gz LLTVCCUISVCHJK-JOCHJYFZSA-N 1 0 394.544 3.546 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC000862097909 886106664 /nfs/dbraw/zinc/10/66/64/886106664.db2.gz ZUNPTQKIUDGEGN-FGCOXFRFSA-N 1 0 387.527 3.559 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC000862097910 886106699 /nfs/dbraw/zinc/10/66/99/886106699.db2.gz ZUNPTQKIUDGEGN-NKKJXINNSA-N 1 0 387.527 3.559 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)c(F)c1 ZINC000532569684 886133649 /nfs/dbraw/zinc/13/36/49/886133649.db2.gz PWLGSVOLJZTZCS-CQSZACIVSA-N 1 0 382.357 3.537 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000862140987 886154397 /nfs/dbraw/zinc/15/43/97/886154397.db2.gz FPUUFLRQVJYHGL-HMXCVIKNSA-N 1 0 378.541 3.836 20 30 GHEDRO C[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000131589027 886318505 /nfs/dbraw/zinc/31/85/05/886318505.db2.gz WEFRVYRUEDHPDE-PGRDOPGGSA-N 1 0 376.504 3.777 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000644094127 913033511 /nfs/dbraw/zinc/03/35/11/913033511.db2.gz SJICIXUYIUIKJY-MRXNPFEDSA-N 1 0 394.393 3.709 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862396203 886349564 /nfs/dbraw/zinc/34/95/64/886349564.db2.gz IDFYVWLNXOYQER-BEVDRBHNSA-N 1 0 385.508 3.550 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)OC(C)(C)C)ccc1C#N ZINC000862537624 886443780 /nfs/dbraw/zinc/44/37/80/886443780.db2.gz ZSUHXHHBBGSINR-NMLBUPMWSA-N 1 0 397.519 3.644 20 30 GHEDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001131352319 886499452 /nfs/dbraw/zinc/49/94/52/886499452.db2.gz YTXSXNBNTJLQSE-UHFFFAOYSA-N 1 0 379.504 3.987 20 30 GHEDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)Cc1cc3ccn(C(C)=O)c3c(C#N)c1)C2 ZINC001168243019 886535751 /nfs/dbraw/zinc/53/57/51/886535751.db2.gz GQPJCMFLFUGJGI-QRQCRPRQSA-N 1 0 387.483 3.870 20 30 GHEDRO C[C@H]([NH2+]CCOc1ccc(I)cc1)c1ccc(C#N)cc1 ZINC000509508254 886732505 /nfs/dbraw/zinc/73/25/05/886732505.db2.gz CDXXGTCZRMSKOW-ZDUSSCGKSA-N 1 0 392.240 3.892 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccccc2)C2CCCCC2)nc1 ZINC000808741586 886756765 /nfs/dbraw/zinc/75/67/65/886756765.db2.gz JOTPFISVDCWXHL-NRFANRHFSA-N 1 0 383.517 3.638 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cc(C#N)oc1C ZINC000808828341 886831726 /nfs/dbraw/zinc/83/17/26/886831726.db2.gz LJCCQJYWNXGJLS-UHFFFAOYSA-N 1 0 383.448 3.519 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000119284449 886889559 /nfs/dbraw/zinc/88/95/59/886889559.db2.gz ZVLATPJQLCOBCK-OALUTQOASA-N 1 0 379.504 3.964 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCCF)c1 ZINC000122690680 887094192 /nfs/dbraw/zinc/09/41/92/887094192.db2.gz HTTHYSCUOKQTIR-UHFFFAOYSA-N 1 0 384.455 3.502 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000119474995 887121591 /nfs/dbraw/zinc/12/15/91/887121591.db2.gz GDXYOUZLKUHXFA-DENIHFKCSA-N 1 0 376.500 3.583 20 30 GHEDRO C[N@H+](CCNC(=O)Nc1ccc(C#N)c(Br)c1)Cc1ccccc1 ZINC000487987683 887181874 /nfs/dbraw/zinc/18/18/74/887181874.db2.gz WZRNGJUEZBMDFM-UHFFFAOYSA-N 1 0 387.281 3.574 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000670219730 887279934 /nfs/dbraw/zinc/27/99/34/887279934.db2.gz RQCXWOMYRPGDKW-UHFFFAOYSA-N 1 0 388.519 3.547 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000129963197 887374565 /nfs/dbraw/zinc/37/45/65/887374565.db2.gz DYLUBKIADMZEAG-VPWXQRGCSA-N 1 0 383.517 3.586 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)cc(OC)c1O ZINC000809721018 887747505 /nfs/dbraw/zinc/74/75/05/887747505.db2.gz RJASNAHMCIGVSF-GOSISDBHSA-N 1 0 376.497 3.618 20 30 GHEDRO Cc1ccc(C#N)nc1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170595565 888107832 /nfs/dbraw/zinc/10/78/32/888107832.db2.gz QYUQJHGAVCLDBB-QHCPKHFHSA-N 1 0 386.499 3.737 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000810130267 888197239 /nfs/dbraw/zinc/19/72/39/888197239.db2.gz LBLHFIKNDJHUSA-IAGOWNOFSA-N 1 0 390.487 3.753 20 30 GHEDRO COCC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000810241197 888338640 /nfs/dbraw/zinc/33/86/40/888338640.db2.gz ORWHHTZOMQXIBZ-HXUWFJFHSA-N 1 0 399.535 3.799 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000017590263 888529146 /nfs/dbraw/zinc/52/91/46/888529146.db2.gz HLDQNVNXCOFXMA-UHFFFAOYSA-N 1 0 387.405 3.925 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000865780358 888567199 /nfs/dbraw/zinc/56/71/99/888567199.db2.gz ISYHHNIAZSYWCD-HSZRJFAPSA-N 1 0 392.499 3.813 20 30 GHEDRO Cc1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000915942273 888582018 /nfs/dbraw/zinc/58/20/18/888582018.db2.gz KIVJPTSOWLJAHB-UHFFFAOYSA-N 1 0 380.561 3.766 20 30 GHEDRO N#CCOc1cccc(CC(=O)OCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000810549603 888609733 /nfs/dbraw/zinc/60/97/33/888609733.db2.gz NYRCCFHJHMEZRK-UHFFFAOYSA-N 1 0 378.472 3.587 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC(C)C)nc2)no1 ZINC001211975440 888769181 /nfs/dbraw/zinc/76/91/81/888769181.db2.gz HBWGAHJWCPXMGO-MSOLQXFVSA-N 1 0 388.512 3.997 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1 ZINC000866446736 888881676 /nfs/dbraw/zinc/88/16/76/888881676.db2.gz SOHQWGGORYBWEZ-QGZVFWFLSA-N 1 0 392.503 3.543 20 30 GHEDRO C[C@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4ccc(C#N)cc4)nc(N)c32)C1 ZINC000532753171 888883792 /nfs/dbraw/zinc/88/37/92/888883792.db2.gz NOMXBHCZMXFODJ-AWEZNQCLSA-N 1 0 391.544 3.944 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000121699616 889095587 /nfs/dbraw/zinc/09/55/87/889095587.db2.gz ZUPXIYZHRRTRNQ-UXHICEINSA-N 1 0 399.535 3.516 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000488140935 889190826 /nfs/dbraw/zinc/19/08/26/889190826.db2.gz GBWXHDJLDOFFMR-UHFFFAOYSA-N 1 0 394.425 3.586 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000532922923 889337951 /nfs/dbraw/zinc/33/79/51/889337951.db2.gz IRZBRWHGMSLMRV-UHFFFAOYSA-N 1 0 377.488 3.937 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532949805 889363118 /nfs/dbraw/zinc/36/31/18/889363118.db2.gz ICLWEGCPKLPJNN-FGZHOGPDSA-N 1 0 396.579 3.910 20 30 GHEDRO C[C@@H](NC(=O)N(C)CCc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000868483565 889461231 /nfs/dbraw/zinc/46/12/31/889461231.db2.gz GCVKYMNRXHCISZ-AUSIDOKSSA-N 1 0 390.531 3.653 20 30 GHEDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000532987793 889466471 /nfs/dbraw/zinc/46/64/71/889466471.db2.gz LRZSPOSIDYUDPE-UHFFFAOYSA-N 1 0 386.311 3.878 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3cccc(Br)c3)CCC2)cc1 ZINC000533048062 889611581 /nfs/dbraw/zinc/61/15/81/889611581.db2.gz MFKAWKLJBWZUSW-UHFFFAOYSA-N 1 0 398.304 3.606 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000533080172 889709270 /nfs/dbraw/zinc/70/92/70/889709270.db2.gz QIMNAUGNAGSCKM-ROUUACIJSA-N 1 0 389.927 3.644 20 30 GHEDRO C=C[C@H](CC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000124675762 889720341 /nfs/dbraw/zinc/72/03/41/889720341.db2.gz TUKCDDNCIUNIPQ-LJQANCHMSA-N 1 0 391.515 3.763 20 30 GHEDRO C=CCCCNC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000454879990 889943210 /nfs/dbraw/zinc/94/32/10/889943210.db2.gz WMHPLMQCZZFGEU-UHFFFAOYSA-N 1 0 390.959 3.602 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000533242055 890055129 /nfs/dbraw/zinc/05/51/29/890055129.db2.gz IOWOQGXIYGWPLU-UHFFFAOYSA-N 1 0 377.492 3.727 20 30 GHEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000812049950 890259891 /nfs/dbraw/zinc/25/98/91/890259891.db2.gz KIQUNHRQOSQDQR-LESCRADOSA-N 1 0 381.442 3.751 20 30 GHEDRO CCOC1CC2(C[C@@H]2C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000870456879 890363547 /nfs/dbraw/zinc/36/35/47/890363547.db2.gz ORVFDYOGCMKWMT-LRZVDXDASA-N 1 0 382.504 3.541 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCCC3(F)F)CC2)cc1 ZINC000455170639 890418964 /nfs/dbraw/zinc/41/89/64/890418964.db2.gz OIRVFXWAFDYFTC-LJQANCHMSA-N 1 0 390.478 3.601 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1OCCCC#N ZINC000266098517 890457670 /nfs/dbraw/zinc/45/76/70/890457670.db2.gz ZZBCGCOTNYZKEH-QGZVFWFLSA-N 1 0 392.858 3.993 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000795139453 890457694 /nfs/dbraw/zinc/45/76/94/890457694.db2.gz NAMNNWJXGGNVST-QFIPXVFZSA-N 1 0 376.529 3.853 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)C(F)(F)F)c1 ZINC000871021711 890604840 /nfs/dbraw/zinc/60/48/40/890604840.db2.gz VWSBIGRCBCAFSJ-OAHLLOKOSA-N 1 0 394.422 3.515 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)c2ncc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000533578040 890885500 /nfs/dbraw/zinc/88/55/00/890885500.db2.gz NJKGLFGPMWQMFR-DOTOQJQBSA-N 1 0 382.895 3.637 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)CC1 ZINC000455445077 890973211 /nfs/dbraw/zinc/97/32/11/890973211.db2.gz KNPLTLLAJNXALS-UHFFFAOYSA-N 1 0 388.512 3.953 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455542876 891119491 /nfs/dbraw/zinc/11/94/91/891119491.db2.gz NRJPHGHPPNDRAL-FQEVSTJZSA-N 1 0 394.494 3.751 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccc(F)cc1 ZINC000812939146 891152093 /nfs/dbraw/zinc/15/20/93/891152093.db2.gz VLLZLRMGFNORDQ-QFIPXVFZSA-N 1 0 379.479 3.726 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccccc21 ZINC000872220618 891213197 /nfs/dbraw/zinc/21/31/97/891213197.db2.gz QKAIDKGZJLYOTN-SJORKVTESA-N 1 0 387.524 3.806 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872280408 891226330 /nfs/dbraw/zinc/22/63/30/891226330.db2.gz RFXXAZVMTLEPBT-MOPGFXCFSA-N 1 0 390.487 3.647 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](OC3CCC3)CC1)CCC2 ZINC000872279523 891227440 /nfs/dbraw/zinc/22/74/40/891227440.db2.gz IWLQZOYJIRPCDP-MRXNPFEDSA-N 1 0 387.549 3.861 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1=S ZINC000872736491 891317797 /nfs/dbraw/zinc/31/77/97/891317797.db2.gz BTCHNNXHHRTPTM-OAHLLOKOSA-N 1 0 377.583 3.558 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001126752587 891400714 /nfs/dbraw/zinc/40/07/14/891400714.db2.gz GVZYWOCYUOODGU-KNQAVFIVSA-N 1 0 376.500 3.872 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@@H](c2nccs2)C1 ZINC000249889148 891528409 /nfs/dbraw/zinc/52/84/09/891528409.db2.gz QACIGXLZHYADTE-IAGOWNOFSA-N 1 0 398.532 3.666 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873698136 891761193 /nfs/dbraw/zinc/76/11/93/891761193.db2.gz VNSNHVGHFKAKAH-LJQANCHMSA-N 1 0 387.572 3.941 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)NCc1ccccc1 ZINC000237455741 891850997 /nfs/dbraw/zinc/85/09/97/891850997.db2.gz RREVIHPSDFDVEP-LJQANCHMSA-N 1 0 399.494 3.932 20 30 GHEDRO Cc1ccc(SCCO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000763420170 891938835 /nfs/dbraw/zinc/93/88/35/891938835.db2.gz MWYQJBAJUAUDSB-UHFFFAOYSA-N 1 0 399.560 3.694 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1F ZINC000774825531 913625398 /nfs/dbraw/zinc/62/53/98/913625398.db2.gz DGBWRDMJTSCIET-CZUORRHYSA-N 1 0 390.418 3.722 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128568257 892136139 /nfs/dbraw/zinc/13/61/39/892136139.db2.gz LXDRKXSMQHCBNF-RTWAWAEBSA-N 1 0 379.508 3.520 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Cl)cc4cccnc43)C2=O)cc1 ZINC000192243482 892335412 /nfs/dbraw/zinc/33/54/12/892335412.db2.gz NFRHVDOOYWPVNG-FQEVSTJZSA-N 1 0 390.874 3.651 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000154496059 892422924 /nfs/dbraw/zinc/42/29/24/892422924.db2.gz LHTRDBSKEFISKE-YLJYHZDGSA-N 1 0 396.984 3.676 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000154502864 892454285 /nfs/dbraw/zinc/45/42/85/892454285.db2.gz AGYNYHYNFNFTTK-CYBMUJFWSA-O 1 0 392.495 3.645 20 30 GHEDRO CCCN(C(=O)c1cnn(CCC#N)c1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000888669610 892483975 /nfs/dbraw/zinc/48/39/75/892483975.db2.gz WKIUSWCKEVLSLK-OAQYLSRUSA-N 1 0 393.535 3.622 20 30 GHEDRO C#CCN(C(=O)C(F)(F)c1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC001134265374 892544261 /nfs/dbraw/zinc/54/42/61/892544261.db2.gz FOYNSENKASBUNE-UHFFFAOYSA-N 1 0 375.246 3.641 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000508691131 892643578 /nfs/dbraw/zinc/64/35/78/892643578.db2.gz VSYAJRGORINIEI-JOCHJYFZSA-N 1 0 391.490 3.900 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)CC1 ZINC000747955995 892917686 /nfs/dbraw/zinc/91/76/86/892917686.db2.gz ZNFRGNWASNBMLR-FQEVSTJZSA-N 1 0 384.568 3.564 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000497992972 892930110 /nfs/dbraw/zinc/93/01/10/892930110.db2.gz JWPYMBFMEJBCPW-NRFANRHFSA-N 1 0 380.488 3.827 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000272879808 892932304 /nfs/dbraw/zinc/93/23/04/892932304.db2.gz QGMBNICQGRZDKX-OAHLLOKOSA-N 1 0 380.510 3.517 20 30 GHEDRO N#CCc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c(Cl)c1 ZINC000455701653 893016867 /nfs/dbraw/zinc/01/68/67/893016867.db2.gz KFYIUJGHKJZRNZ-UHFFFAOYSA-N 1 0 392.956 3.889 20 30 GHEDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000814659099 893017194 /nfs/dbraw/zinc/01/71/94/893017194.db2.gz KLJZVVBFIISVSN-QFIPXVFZSA-N 1 0 378.520 3.736 20 30 GHEDRO CC(C)(C)OC(=O)NC(=C[NH2+]Nc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000814681745 893064856 /nfs/dbraw/zinc/06/48/56/893064856.db2.gz AONYWSNWVQBXAD-LLVKDONJSA-N 1 0 376.335 3.838 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000508739905 893097040 /nfs/dbraw/zinc/09/70/40/893097040.db2.gz MYIVDVOIWZHBBA-LJQANCHMSA-N 1 0 376.508 3.560 20 30 GHEDRO CN(Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)Cc1cccc(C#N)c1 ZINC000876573324 893234468 /nfs/dbraw/zinc/23/44/68/893234468.db2.gz ZAARTTFTECHPOX-UHFFFAOYSA-N 1 0 382.464 3.513 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000876611736 893254255 /nfs/dbraw/zinc/25/42/55/893254255.db2.gz PWKKDQXOLWLNHP-INIZCTEOSA-N 1 0 384.307 3.811 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933871682 893273628 /nfs/dbraw/zinc/27/36/28/893273628.db2.gz JFBOGUSNPQJMOV-VQIMIIECSA-N 1 0 387.549 3.958 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)NCc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000563049317 893321905 /nfs/dbraw/zinc/32/19/05/893321905.db2.gz KWJWZOWLJAQLHB-HXUWFJFHSA-N 1 0 382.533 3.577 20 30 GHEDRO C#CCNC(=O)CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC000815086739 893432840 /nfs/dbraw/zinc/43/28/40/893432840.db2.gz UIDWYHYNRMYWHS-HXUWFJFHSA-N 1 0 390.405 3.533 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(OCC#N)cc2)C1 ZINC001137115597 893466736 /nfs/dbraw/zinc/46/67/36/893466736.db2.gz XPVGAIQWEDWYMY-JOCHJYFZSA-N 1 0 385.508 3.954 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(OCC#N)cc2)C1 ZINC001137115598 893467042 /nfs/dbraw/zinc/46/70/42/893467042.db2.gz XPVGAIQWEDWYMY-QFIPXVFZSA-N 1 0 385.508 3.954 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000877128457 893500570 /nfs/dbraw/zinc/50/05/70/893500570.db2.gz BZGBFHLAWOIAFQ-KBPBESRZSA-N 1 0 385.455 3.921 20 30 GHEDRO CCN(C(=O)NCCc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000466822223 913779573 /nfs/dbraw/zinc/77/95/73/913779573.db2.gz MMMQWCDXHGOMLI-CVDCTZTESA-N 1 0 390.531 3.968 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000498198454 893552019 /nfs/dbraw/zinc/55/20/19/893552019.db2.gz QEZSVNHKYNSVGR-UHFFFAOYSA-N 1 0 379.504 3.797 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)cc1 ZINC001137117736 893553491 /nfs/dbraw/zinc/55/34/91/893553491.db2.gz DCJWBDKOIHFQNT-VSOVRNOCSA-N 1 0 393.462 3.825 20 30 GHEDRO C[C@H]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)c(C#N)cc2C1 ZINC001134923266 893587723 /nfs/dbraw/zinc/58/77/23/893587723.db2.gz IEESCHOMFWFBSC-HNNXBMFYSA-N 1 0 378.476 3.909 20 30 GHEDRO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001137121364 893649979 /nfs/dbraw/zinc/64/99/79/893649979.db2.gz HLECHBROUZNMBE-VXKWHMMOSA-N 1 0 378.472 3.900 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccc(OCC#N)cc3)C2)CC1 ZINC001137121509 893651939 /nfs/dbraw/zinc/65/19/39/893651939.db2.gz OSEFVYAAMWWUCZ-UHFFFAOYSA-N 1 0 385.508 3.812 20 30 GHEDRO C#C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C1CCOCC1 ZINC000877637767 893735316 /nfs/dbraw/zinc/73/53/16/893735316.db2.gz LYQOTFIMXIGSJF-UFYCRDLUSA-N 1 0 391.353 3.602 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877825075 893836507 /nfs/dbraw/zinc/83/65/07/893836507.db2.gz WXQBJNQNQYCKQB-GUYCJALGSA-N 1 0 378.398 3.500 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000877926791 893899242 /nfs/dbraw/zinc/89/92/42/893899242.db2.gz REHPBHHUKXYLHR-XMMPIXPASA-N 1 0 375.516 3.635 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(OC)c(Cl)cc3F)CC2)C1=O ZINC001275421935 913816768 /nfs/dbraw/zinc/81/67/68/913816768.db2.gz PVLIUSISIFQIDG-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO COc1cc2c(cc1OC)CC[NH+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC2 ZINC000877994375 893935487 /nfs/dbraw/zinc/93/54/87/893935487.db2.gz UAEZPDQLXWVZSX-DEOSSOPVSA-N 1 0 392.499 3.545 20 30 GHEDRO N#CCCn1cc(C[NH2+]C2CC(OCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000563589249 893943076 /nfs/dbraw/zinc/94/30/76/893943076.db2.gz QXIOISPWUJGQKL-UHFFFAOYSA-N 1 0 387.487 3.696 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000878047897 893978381 /nfs/dbraw/zinc/97/83/81/893978381.db2.gz KREZNXCJVKAJKB-OFNKIYASSA-N 1 0 376.456 3.993 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1)c1ccccc1 ZINC000878137354 894044376 /nfs/dbraw/zinc/04/43/76/894044376.db2.gz SUNQGAMLNGTDPS-VWNXMTODSA-N 1 0 376.500 3.966 20 30 GHEDRO C#CCN(C)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000815652493 894096321 /nfs/dbraw/zinc/09/63/21/894096321.db2.gz FLBQJEOERWHSTL-ZDUSSCGKSA-N 1 0 389.849 3.621 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC001135162293 894133189 /nfs/dbraw/zinc/13/31/89/894133189.db2.gz UIUWWDHMHPQUIJ-XZOQPEGZSA-N 1 0 388.515 3.830 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000563782704 894187670 /nfs/dbraw/zinc/18/76/70/894187670.db2.gz ILMGGWDZBCJOBB-DYESRHJHSA-N 1 0 392.551 3.703 20 30 GHEDRO CC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000537051015 894269107 /nfs/dbraw/zinc/26/91/07/894269107.db2.gz HMVKANVHOTUDPR-JOCHJYFZSA-N 1 0 394.490 3.919 20 30 GHEDRO CCC(CC)[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccs1 ZINC000537075935 894297329 /nfs/dbraw/zinc/29/73/29/894297329.db2.gz KSTXDVZHJLIQPM-NQIIRXRSSA-N 1 0 390.597 3.507 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000563921439 894326991 /nfs/dbraw/zinc/32/69/91/894326991.db2.gz BRZRHOIVGUXMIC-QHCPKHFHSA-N 1 0 391.515 3.588 20 30 GHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(C#N)CCCCC3)cc2)C[C@H]1C ZINC000537139519 894395875 /nfs/dbraw/zinc/39/58/75/894395875.db2.gz NGWUYVMBFZJEIB-WOJBJXKFSA-N 1 0 397.563 3.786 20 30 GHEDRO CCCC[N@H+](CCCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000537177037 894498904 /nfs/dbraw/zinc/49/89/04/894498904.db2.gz KSLQZDCKRUMYGQ-OAHLLOKOSA-N 1 0 377.554 3.558 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC[C@H]21 ZINC000878675635 894503894 /nfs/dbraw/zinc/50/38/94/894503894.db2.gz RBLUEGCRLDKPCX-DYESRHJHSA-N 1 0 376.460 3.908 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 ZINC000878680790 894506843 /nfs/dbraw/zinc/50/68/43/894506843.db2.gz VOEGKKVOTSNCCR-HSZRJFAPSA-N 1 0 399.535 3.806 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ncc(C#N)cc1Cl ZINC000460006446 894543928 /nfs/dbraw/zinc/54/39/28/894543928.db2.gz FDAHZQHMJMWICT-IBGZPJMESA-N 1 0 396.922 3.809 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000564078670 894555396 /nfs/dbraw/zinc/55/53/96/894555396.db2.gz VQQXTPPYVWQFHH-BPAFIMBUSA-N 1 0 390.405 3.657 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000935882313 894883124 /nfs/dbraw/zinc/88/31/24/894883124.db2.gz JJPOIVIJFCLLPM-QGZVFWFLSA-N 1 0 383.517 3.531 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000816535830 894906424 /nfs/dbraw/zinc/90/64/24/894906424.db2.gz BGZHBLSXXVYMCN-UHFFFAOYSA-N 1 0 397.906 3.808 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000564441080 894984070 /nfs/dbraw/zinc/98/40/70/894984070.db2.gz LMLJGEUMMVYPFA-UHFFFAOYSA-N 1 0 381.480 3.797 20 30 GHEDRO COc1ccc(C[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000816658293 895002278 /nfs/dbraw/zinc/00/22/78/895002278.db2.gz JMNCUWZECGBAPV-UHFFFAOYSA-N 1 0 378.259 3.992 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000879700734 895240949 /nfs/dbraw/zinc/24/09/49/895240949.db2.gz MCVQUXYUVWLFGO-RBUKOAKNSA-N 1 0 391.556 3.808 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817280784 895433248 /nfs/dbraw/zinc/43/32/48/895433248.db2.gz CZYCQKWKPSUBLC-HIFRSBDPSA-N 1 0 388.393 3.888 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)CC1 ZINC000817350779 895516809 /nfs/dbraw/zinc/51/68/09/895516809.db2.gz JHTNRZTUAQTWNI-UHFFFAOYSA-N 1 0 387.871 3.694 20 30 GHEDRO Cc1cccc2c(C[NH+]3CCC(NC(=O)Nc4ccc(C#N)cc4)CC3)[nH]nc21 ZINC001137150640 895639330 /nfs/dbraw/zinc/63/93/30/895639330.db2.gz QJMKOGHQXYZKOB-UHFFFAOYSA-N 1 0 388.475 3.529 20 30 GHEDRO N#CC(CC[NH+]1CCC2(CC1)COCCO2)(c1ccccc1)c1ccccc1 ZINC000880545698 895745456 /nfs/dbraw/zinc/74/54/56/895745456.db2.gz BOBMOKYWXUJBIO-UHFFFAOYSA-N 1 0 376.500 3.768 20 30 GHEDRO CC(C)(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1F ZINC000880581296 895757104 /nfs/dbraw/zinc/75/71/04/895757104.db2.gz ARKLROCAJIXOQV-UHFFFAOYSA-N 1 0 397.469 3.895 20 30 GHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000565820821 895910151 /nfs/dbraw/zinc/91/01/51/895910151.db2.gz IPPYWHNZGZGVRR-RBUKOAKNSA-N 1 0 394.906 3.706 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/C(=O)c1ccc(C)cc1)Cc1ccccc1 ZINC001136080052 895991513 /nfs/dbraw/zinc/99/15/13/895991513.db2.gz BJWSIHZMOSKRGE-SFZDQAMXSA-N 1 0 378.516 3.803 20 30 GHEDRO Cc1nc(SCC(=O)N[C@H](CCC[NH3+])c2ccccc2)c(C#N)c(C)c1C ZINC000566405600 896292163 /nfs/dbraw/zinc/29/21/63/896292163.db2.gz BEFIIEQKDJCTSX-LJQANCHMSA-N 1 0 382.533 3.567 20 30 GHEDRO C=C(Br)C[NH2+]C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000818979571 896300147 /nfs/dbraw/zinc/30/01/47/896300147.db2.gz QFBGVSSASNIZMJ-WOJBJXKFSA-N 1 0 390.321 3.960 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881471008 896349658 /nfs/dbraw/zinc/34/96/58/896349658.db2.gz YYGGFBVEVFFETR-HXUWFJFHSA-N 1 0 389.499 3.598 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)COc2cc(C)ccc2Cl)c1 ZINC000819066327 896384314 /nfs/dbraw/zinc/38/43/14/896384314.db2.gz AAIIQZZKNVZYDG-ROUUACIJSA-N 1 0 388.895 3.859 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)ccc1OC ZINC000819070579 896386141 /nfs/dbraw/zinc/38/61/41/896386141.db2.gz XFOIXTWHSSQOSI-OALUTQOASA-N 1 0 388.895 3.723 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000566615708 896423576 /nfs/dbraw/zinc/42/35/76/896423576.db2.gz UUHAUTACBYKGNQ-UHFFFAOYSA-N 1 0 375.444 3.688 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000819183999 896452520 /nfs/dbraw/zinc/45/25/20/896452520.db2.gz VLROZMXOALLSCB-UXHICEINSA-N 1 0 387.524 3.629 20 30 GHEDRO C=C[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC001136209293 896605495 /nfs/dbraw/zinc/60/54/95/896605495.db2.gz FRFYBNCAZOFGCI-YDHSSHFGSA-N 1 0 378.516 3.882 20 30 GHEDRO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)CCOCC1 ZINC000566919249 896696008 /nfs/dbraw/zinc/69/60/08/896696008.db2.gz PBCJEOURMXMNPT-GOSISDBHSA-N 1 0 376.566 3.710 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000566943836 896723898 /nfs/dbraw/zinc/72/38/98/896723898.db2.gz LCBZOYMWFWOAGL-AZUAARDMSA-N 1 0 391.581 3.755 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000819560518 896848477 /nfs/dbraw/zinc/84/84/77/896848477.db2.gz FYOVYRJNOMLXEX-AWEZNQCLSA-N 1 0 388.002 3.687 20 30 GHEDRO N#Cc1cccc(COc2cccc(NC(=O)C34CCC[NH+](CCC3)C4)c2)c1 ZINC001136242052 896858068 /nfs/dbraw/zinc/85/80/68/896858068.db2.gz OZAVVQGMNUNDQC-UHFFFAOYSA-N 1 0 375.472 3.952 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000567174290 896937108 /nfs/dbraw/zinc/93/71/08/896937108.db2.gz LUTRNAIVDFZIJJ-HRAATJIYSA-N 1 0 377.463 3.681 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)sc2c1CCCC2 ZINC000567219471 896980520 /nfs/dbraw/zinc/98/05/20/896980520.db2.gz DJXDYOUWUXZAMI-VQIMIIECSA-N 1 0 395.528 3.635 20 30 GHEDRO COCCCOc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000130586319 897146323 /nfs/dbraw/zinc/14/63/23/897146323.db2.gz FGGJMKBOSQIFEU-UHFFFAOYSA-N 1 0 397.397 3.927 20 30 GHEDRO N#Cc1ccc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000567495786 897202609 /nfs/dbraw/zinc/20/26/09/897202609.db2.gz ZJRQTTACVRINCD-LJQANCHMSA-N 1 0 387.405 3.510 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3c(F)cccc3-n3cccn3)CC2)cc1 ZINC000567571108 897259732 /nfs/dbraw/zinc/25/97/32/897259732.db2.gz RJZMEBOMJZTNIO-UHFFFAOYSA-N 1 0 389.478 3.637 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)C1CC1 ZINC000805750101 897375814 /nfs/dbraw/zinc/37/58/14/897375814.db2.gz WUNXZGHEHRGXPP-MRXNPFEDSA-N 1 0 394.313 3.714 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000567755661 897380421 /nfs/dbraw/zinc/38/04/21/897380421.db2.gz IAFJJPCGDQATKG-GCJKJVERSA-N 1 0 376.504 3.605 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCc2ccon2)[n+]2ccc(C)cc2)cc1 ZINC000131241266 897385215 /nfs/dbraw/zinc/38/52/15/897385215.db2.gz GJDMJPSSHXZWDP-UHFFFAOYSA-O 1 0 380.493 3.562 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000567763118 897385379 /nfs/dbraw/zinc/38/53/79/897385379.db2.gz NZWQSGOTBITDRL-WMZHIEFXSA-N 1 0 390.531 3.853 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccc(Cl)cc1F ZINC000820745181 897532042 /nfs/dbraw/zinc/53/20/42/897532042.db2.gz RJTMDZCRSLFNIQ-LJQANCHMSA-N 1 0 379.907 3.917 20 30 GHEDRO N#CCCCN1CC[C@@]2(CC[N@@H+](CCc3ccc(Cl)cc3Cl)C2)C1=O ZINC001276325153 914186692 /nfs/dbraw/zinc/18/66/92/914186692.db2.gz XLDGYBPPTLAPPY-LJQANCHMSA-N 1 0 380.319 3.764 20 30 GHEDRO CSc1nc(N[C@@H]2C[C@H]3CC[N@H+](C2)[C@@H]3C)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001170961754 897814989 /nfs/dbraw/zinc/81/49/89/897814989.db2.gz BEQZZJVPZIOCAB-DJIMGWMZSA-N 1 0 379.533 3.940 20 30 GHEDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000568448594 897846269 /nfs/dbraw/zinc/84/62/69/897846269.db2.gz SITJJGKVOPLUFM-UHFFFAOYSA-N 1 0 384.487 3.955 20 30 GHEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000101655719 897952547 /nfs/dbraw/zinc/95/25/47/897952547.db2.gz WLYIJVAXLALVQW-UHFFFAOYSA-N 1 0 392.503 3.625 20 30 GHEDRO CC[C@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587097 897959729 /nfs/dbraw/zinc/95/97/29/897959729.db2.gz MHDAUTVNTWTLNG-CABCVRRESA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102044388 897990642 /nfs/dbraw/zinc/99/06/42/897990642.db2.gz NJUJQZVZJWEESF-INIZCTEOSA-N 1 0 395.482 3.526 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000568801711 898112309 /nfs/dbraw/zinc/11/23/09/898112309.db2.gz VLUTZEJJJAETPZ-CBQOVEMMSA-N 1 0 397.563 3.579 20 30 GHEDRO Cc1cc(C)c(C#N)c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000569142185 898364755 /nfs/dbraw/zinc/36/47/55/898364755.db2.gz FMOUVIRFPKNRJQ-NRFANRHFSA-N 1 0 390.531 3.911 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000569189643 898402427 /nfs/dbraw/zinc/40/24/27/898402427.db2.gz FJMROTMXBDONCA-IKVWTGGYSA-N 1 0 382.504 3.555 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 ZINC000800048964 898536017 /nfs/dbraw/zinc/53/60/17/898536017.db2.gz DJWHYAOOTHMVAV-QGZVFWFLSA-N 1 0 387.955 3.538 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)cc2)ccn1 ZINC000289616877 914266416 /nfs/dbraw/zinc/26/64/16/914266416.db2.gz AUGZPKMRVCGSQA-UHFFFAOYSA-N 1 0 391.475 3.741 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000155317424 898608029 /nfs/dbraw/zinc/60/80/29/898608029.db2.gz SZAXUEPJJUHYOX-DENIHFKCSA-N 1 0 376.504 3.522 20 30 GHEDRO C[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+](C2CC2)C1 ZINC000569427628 898649746 /nfs/dbraw/zinc/64/97/46/898649746.db2.gz UVFRSSMCXPIUNK-GOSISDBHSA-N 1 0 389.499 3.694 20 30 GHEDRO N#CCOc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000110388474 898700124 /nfs/dbraw/zinc/70/01/24/898700124.db2.gz WCNCPVZPHHKGSX-IHWFROFDSA-N 1 0 375.472 3.514 20 30 GHEDRO CCCCCOc1ccc([C@@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1OC ZINC000884080743 898808886 /nfs/dbraw/zinc/80/88/86/898808886.db2.gz DUASZWMQUSNTNW-LMTOITPJSA-N 1 0 399.535 3.581 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)C2 ZINC000884100021 898868570 /nfs/dbraw/zinc/86/85/70/898868570.db2.gz HDWSBHNVIGVXAQ-OUBFZGACSA-N 1 0 385.920 3.746 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1-c1ccc(Cl)cc1)C2 ZINC000884119090 898950312 /nfs/dbraw/zinc/95/03/12/898950312.db2.gz AYQQQPANUXKMFM-DKTYTTGXSA-N 1 0 379.891 3.763 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)c(-c2ccccc2)n1 ZINC000113321738 898984068 /nfs/dbraw/zinc/98/40/68/898984068.db2.gz FTYDCDHPUVJGMR-UHFFFAOYSA-N 1 0 399.498 3.880 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000113327074 898985630 /nfs/dbraw/zinc/98/56/30/898985630.db2.gz XTYXYEQMTLNZNE-UHFFFAOYSA-N 1 0 378.516 3.587 20 30 GHEDRO Cc1cc(OCc2ccccc2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884141946 899061330 /nfs/dbraw/zinc/06/13/30/899061330.db2.gz NKZPMMLRCCZUKZ-KPRXVCGWSA-N 1 0 375.472 3.652 20 30 GHEDRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884143375 899067825 /nfs/dbraw/zinc/06/78/25/899067825.db2.gz FXFYKSUKRCRAJW-KLOMGHIOSA-N 1 0 379.529 3.596 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(Cl)c1SCC(F)F)C2 ZINC000884147109 899080257 /nfs/dbraw/zinc/08/02/57/899080257.db2.gz ZUCXYQCZDUJZBE-GCULGPDHSA-N 1 0 385.867 3.775 20 30 GHEDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1 ZINC000884146923 899080826 /nfs/dbraw/zinc/08/08/26/899080826.db2.gz VRDKPGGXJUAVQJ-UIORMTCPSA-N 1 0 383.439 3.727 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Oc3ccccc3F)c(F)c1)C2 ZINC000884155329 899105880 /nfs/dbraw/zinc/10/58/80/899105880.db2.gz ZPFSKVMSCMJLFX-JXORXQGFSA-N 1 0 397.425 3.513 20 30 GHEDRO CCN(c1ccccc1)c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884156088 899110640 /nfs/dbraw/zinc/11/06/40/899110640.db2.gz RWVUIPPXAQKABS-ITGJCUMNSA-N 1 0 388.515 3.600 20 30 GHEDRO Cc1cccc(Oc2ncccc2NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1C ZINC000884187635 899282040 /nfs/dbraw/zinc/28/20/40/899282040.db2.gz KVRBCJHIZXRJLU-JQHMZKTJSA-N 1 0 376.460 3.569 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccccc1Sc1cccc(OC)c1 ZINC000824143167 899408227 /nfs/dbraw/zinc/40/82/27/899408227.db2.gz SEOJFMLSTAPZJB-UHFFFAOYSA-N 1 0 377.531 3.537 20 30 GHEDRO Cc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000570780212 899585200 /nfs/dbraw/zinc/58/52/00/899585200.db2.gz AQGUALXGTZZZOZ-AUUYWEPGSA-N 1 0 397.544 3.705 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)CC1 ZINC000824483385 899627017 /nfs/dbraw/zinc/62/70/17/899627017.db2.gz BCWYNNIMMIGQNP-UHFFFAOYSA-N 1 0 387.593 3.567 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)c1C#N ZINC000570857063 899642985 /nfs/dbraw/zinc/64/29/85/899642985.db2.gz BRSDFNTXMZGQQU-HNAYVOBHSA-N 1 0 386.540 3.513 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000571361415 899845233 /nfs/dbraw/zinc/84/52/33/899845233.db2.gz WMJBUQQETNJNKN-IEBWSBKVSA-N 1 0 393.491 3.549 20 30 GHEDRO C[C@]1(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1(Cl)Cl ZINC000824970598 899919250 /nfs/dbraw/zinc/91/92/50/899919250.db2.gz MBHUWXOJGNEXQJ-KRWDZBQOSA-N 1 0 378.307 3.922 20 30 GHEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)CCOC2 ZINC000572333087 900144137 /nfs/dbraw/zinc/14/41/37/900144137.db2.gz CLZORHQUJVQPJU-WMZHIEFXSA-N 1 0 388.515 3.517 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000135297019 900218869 /nfs/dbraw/zinc/21/88/69/900218869.db2.gz PEFRZYPZPBHVMP-UHFFFAOYSA-N 1 0 396.466 3.856 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)C[N@@H+]1Cc1ccccc1 ZINC000135319584 900221284 /nfs/dbraw/zinc/22/12/84/900221284.db2.gz GAJYSZUELBYRGJ-CRAIPNDOSA-N 1 0 382.439 3.513 20 30 GHEDRO N#Cc1nc(-c2ccccc2)c(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc1C#N ZINC001171094330 900286780 /nfs/dbraw/zinc/28/67/80/900286780.db2.gz HKCKOSMWENILEH-MRXNPFEDSA-N 1 0 390.450 3.647 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000844193557 900573832 /nfs/dbraw/zinc/57/38/32/900573832.db2.gz HODJQFXXCJJZJW-ISJZJFHWSA-N 1 0 398.466 3.546 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000844332812 900705973 /nfs/dbraw/zinc/70/59/73/900705973.db2.gz XNGPTXFKQGCJQK-CQSZACIVSA-N 1 0 380.404 3.664 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000844322217 900728161 /nfs/dbraw/zinc/72/81/61/900728161.db2.gz AVADRTVBTIRDEK-KRWDZBQOSA-N 1 0 388.468 3.592 20 30 GHEDRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367140 900776938 /nfs/dbraw/zinc/77/69/38/900776938.db2.gz RPEPYCDSLXPNGA-QGZVFWFLSA-N 1 0 392.286 3.859 20 30 GHEDRO CCN(C)C(=O)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000574433002 900890640 /nfs/dbraw/zinc/89/06/40/900890640.db2.gz VTJNIMFOOMLSJT-UHFFFAOYSA-N 1 0 376.504 3.727 20 30 GHEDRO C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000886252072 900909302 /nfs/dbraw/zinc/90/93/02/900909302.db2.gz SLJPJAPXABAOJI-MSOLQXFVSA-N 1 0 391.556 3.543 20 30 GHEDRO C=CCC(F)(F)C(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000844508965 900913693 /nfs/dbraw/zinc/91/36/93/900913693.db2.gz MSENHMDZLVUKDF-UHFFFAOYSA-N 1 0 390.272 3.730 20 30 GHEDRO C=CCc1cc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc(OC)c1O ZINC000886300147 900924375 /nfs/dbraw/zinc/92/43/75/900924375.db2.gz AFOQBELKFYTWBR-IBGZPJMESA-N 1 0 375.509 3.585 20 30 GHEDRO C=CCc1cc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc(OC)c1O ZINC000886300148 900924607 /nfs/dbraw/zinc/92/46/07/900924607.db2.gz AFOQBELKFYTWBR-LJQANCHMSA-N 1 0 375.509 3.585 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000574587339 900933537 /nfs/dbraw/zinc/93/35/37/900933537.db2.gz OQDDSGGZEWYONT-LJQANCHMSA-N 1 0 378.524 3.561 20 30 GHEDRO C[C@@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCOC2(CCC2)C1 ZINC000886343421 900943324 /nfs/dbraw/zinc/94/33/24/900943324.db2.gz XHVLMEZPEONJBP-OAQYLSRUSA-N 1 0 379.508 3.688 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644366 900962670 /nfs/dbraw/zinc/96/26/70/900962670.db2.gz DQAUSWPSFVSHJZ-IBGZPJMESA-N 1 0 382.533 3.673 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000066177757 900991721 /nfs/dbraw/zinc/99/17/21/900991721.db2.gz FMXRJGUBSBTFJU-UHFFFAOYSA-N 1 0 394.519 3.619 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000574821378 901019511 /nfs/dbraw/zinc/01/95/11/901019511.db2.gz FVRHEMWVQZSMNX-UHFFFAOYSA-N 1 0 383.580 3.788 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000574829816 901023938 /nfs/dbraw/zinc/02/39/38/901023938.db2.gz XHTCLSUHHPDAPB-IERDGZPVSA-N 1 0 379.479 3.754 20 30 GHEDRO C=CCN1C[C@@H](c2ccccc2)[C@@]2(CCN(Cc3ncc(Cl)s3)C2)C1=O ZINC001275519896 914499637 /nfs/dbraw/zinc/49/96/37/914499637.db2.gz HMGMDPSBGYGIQB-JXFKEZNVSA-N 1 0 387.936 3.801 20 30 GHEDRO N#Cc1cncc(C[N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001144085252 901053078 /nfs/dbraw/zinc/05/30/78/901053078.db2.gz ZUDMNCZRZFNGDN-DEOSSOPVSA-N 1 0 396.494 3.757 20 30 GHEDRO C=CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)cc1OC ZINC000575095406 901118988 /nfs/dbraw/zinc/11/89/88/901118988.db2.gz IHQWDHLWZJCSDF-YADARESESA-N 1 0 397.515 3.802 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000575146100 901136449 /nfs/dbraw/zinc/13/64/49/901136449.db2.gz KITCWDCNBXLTKN-AVRDEDQJSA-N 1 0 389.499 3.836 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000844714534 901192040 /nfs/dbraw/zinc/19/20/40/901192040.db2.gz AALUHLFBJQGEKP-SLFFLAALSA-N 1 0 391.515 3.641 20 30 GHEDRO CC(C)c1ncsc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844698778 901214412 /nfs/dbraw/zinc/21/44/12/901214412.db2.gz QYZLEMNREQXNFF-UHFFFAOYSA-N 1 0 383.521 3.924 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCC(OC4CCCC4)CC3)C2=O)cc1 ZINC000575477385 901242961 /nfs/dbraw/zinc/24/29/61/901242961.db2.gz IQRWXXZPQRMFNW-KITAHSCOSA-N 1 0 381.520 3.519 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(Br)c(C)c1N)C(C)C ZINC001144203922 901281914 /nfs/dbraw/zinc/28/19/14/901281914.db2.gz HEHAXXVNNRXTQC-QGZVFWFLSA-N 1 0 394.357 3.768 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)cc2)c1 ZINC000886933912 901335979 /nfs/dbraw/zinc/33/59/79/901335979.db2.gz GCOLLEDEYTUZNM-HNNXBMFYSA-N 1 0 386.402 3.717 20 30 GHEDRO C#CCC1([NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CCOCC1 ZINC000887126038 901447728 /nfs/dbraw/zinc/44/77/28/901447728.db2.gz UACZYTWZTQKJNG-DNQXCXABSA-N 1 0 393.527 3.624 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1c(F)cccc1F ZINC000844900613 901481582 /nfs/dbraw/zinc/48/15/82/901481582.db2.gz BJHLDVUHXNAOKY-HNNXBMFYSA-N 1 0 398.457 3.861 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc(OC)c1O ZINC000093842150 901568961 /nfs/dbraw/zinc/56/89/61/901568961.db2.gz SPDFFRHXIOZXQT-FQEVSTJZSA-N 1 0 375.509 3.679 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCc1ccc(Br)cc1 ZINC001275527892 914557958 /nfs/dbraw/zinc/55/79/58/914557958.db2.gz QCURHLQJZUFBJL-QZTJIDSGSA-N 1 0 377.326 3.633 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000333292849 901980293 /nfs/dbraw/zinc/98/02/93/901980293.db2.gz LHJUVSYQVMANKT-DQVLVPHSSA-N 1 0 381.520 3.771 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000576445958 902025466 /nfs/dbraw/zinc/02/54/66/902025466.db2.gz LGQQBZPPDODWCL-FCHUYYIVSA-N 1 0 377.463 3.582 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000124253871 902044221 /nfs/dbraw/zinc/04/42/21/902044221.db2.gz PBKHJILMUNZULL-DYESRHJHSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H]1[C@H](NC(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000576494421 902055307 /nfs/dbraw/zinc/05/53/07/902055307.db2.gz HAUXNXJXVHJBIY-LAUBAEHRSA-N 1 0 379.529 3.571 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000124543666 902082181 /nfs/dbraw/zinc/08/21/81/902082181.db2.gz GGLVIYAOPQMDEH-DYESRHJHSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001171191705 902249192 /nfs/dbraw/zinc/24/91/92/902249192.db2.gz CTVSOFLEYAKYLQ-GRFCFPJTSA-N 1 0 387.483 3.931 20 30 GHEDRO COC(=O)[C@H](C[NH3+])c1cn([C@H](C)Cc2cccc(C#N)c2)c2ccc(OC)cc12 ZINC001171194976 902282873 /nfs/dbraw/zinc/28/28/73/902282873.db2.gz OAAOEYDFMJKMGQ-FOIQADDNSA-N 1 0 391.471 3.541 20 30 GHEDRO CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845745696 902361781 /nfs/dbraw/zinc/36/17/81/902361781.db2.gz BSNAVZCYYJYXPT-UYAOXDASSA-N 1 0 398.551 3.922 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCOC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001144568309 902399940 /nfs/dbraw/zinc/39/99/40/902399940.db2.gz QBNQOYXNBWXKMP-HSZRJFAPSA-N 1 0 384.520 3.517 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(Cc2csc(C)n2)C3)cc1 ZINC001144572173 902403754 /nfs/dbraw/zinc/40/37/54/902403754.db2.gz SJAUFEPWRDLKLS-HSZRJFAPSA-N 1 0 395.572 3.547 20 30 GHEDRO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCC(C)(C)C#N ZINC000576985115 902410849 /nfs/dbraw/zinc/41/08/49/902410849.db2.gz PDPJDGXFXLGKSJ-FQEVSTJZSA-N 1 0 391.581 3.633 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000127643441 902527016 /nfs/dbraw/zinc/52/70/16/902527016.db2.gz RSJYKFQLBVOULC-QFIPXVFZSA-N 1 0 378.520 3.819 20 30 GHEDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008779 902588888 /nfs/dbraw/zinc/58/88/88/902588888.db2.gz XXKOYNORPCJZES-DEOSSOPVSA-N 1 0 388.515 3.894 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000128176015 902619238 /nfs/dbraw/zinc/61/92/38/902619238.db2.gz ZTEKMDLRIZPKJW-NRFANRHFSA-N 1 0 392.503 3.628 20 30 GHEDRO CC(C)(C)NC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1ccccc1 ZINC000263910074 902674076 /nfs/dbraw/zinc/67/40/76/902674076.db2.gz KDQSJLOFBUWNHF-UHFFFAOYSA-O 1 0 379.452 3.902 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC001171216540 902732747 /nfs/dbraw/zinc/73/27/47/902732747.db2.gz JGXNUZMKWVJAGQ-LJQANCHMSA-N 1 0 387.527 3.786 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(NC4=CC[C@@H](C#N)CC4)cc3)CC2)CC1 ZINC001212864048 902748293 /nfs/dbraw/zinc/74/82/93/902748293.db2.gz NHPBJBORRNIXBP-LJQANCHMSA-N 1 0 379.552 3.522 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@@H+]([C@H](C)Cc4cccc(C#N)c4)C3)CC2=O)s1 ZINC001171217289 902756228 /nfs/dbraw/zinc/75/62/28/902756228.db2.gz OPQVAHOFZCBZOS-ZHRRBRCNSA-N 1 0 379.529 3.988 20 30 GHEDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+]([C@@H](C)Cc4cccc(C#N)c4)C3)C2)n1 ZINC001171217505 902757403 /nfs/dbraw/zinc/75/74/03/902757403.db2.gz PPWDPYHMHWFSBG-IEXUWNMDSA-N 1 0 391.515 3.643 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001171216775 902782338 /nfs/dbraw/zinc/78/23/38/902782338.db2.gz LBRPLTCBKSCAKJ-VCFYHUQZSA-N 1 0 391.515 3.723 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](c3nnc[nH]3)C3CCCCC3)C2)c(F)c1 ZINC000577456221 902787029 /nfs/dbraw/zinc/78/70/29/902787029.db2.gz UFXLFBRDJIFHSV-XLIONFOSSA-N 1 0 382.487 3.695 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000264072438 902825438 /nfs/dbraw/zinc/82/54/38/902825438.db2.gz BONUXLAVBOSYKU-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO Cc1cccc(COc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)cc2)c1 ZINC000600717747 902841578 /nfs/dbraw/zinc/84/15/78/902841578.db2.gz MZPRRQUHAUBWIF-JOCHJYFZSA-N 1 0 394.515 3.735 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c2ccc(C)cc2)cc1 ZINC000600723963 902846056 /nfs/dbraw/zinc/84/60/56/902846056.db2.gz ZYLZQTPHKZNHHF-GMAHTHKFSA-N 1 0 394.515 3.754 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2-c2ccc(Cn3cccn3)cc2)CC1 ZINC000600723976 902846480 /nfs/dbraw/zinc/84/64/80/902846480.db2.gz RAYWMCAMHREDLM-QFIPXVFZSA-N 1 0 386.499 3.743 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)CCOCC1 ZINC000600735306 902857662 /nfs/dbraw/zinc/85/76/62/902857662.db2.gz NKLXGYRYVJWEKT-KRWDZBQOSA-N 1 0 394.918 3.952 20 30 GHEDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000600733931 902858028 /nfs/dbraw/zinc/85/80/28/902858028.db2.gz LRHVIKSPIRTSLT-RDTXWAMCSA-N 1 0 378.394 3.710 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC2(c3ccc(Br)cc3Cl)CC2)CC1 ZINC000600736734 902858819 /nfs/dbraw/zinc/85/88/19/902858819.db2.gz ANHNQPJZOLCAQT-ZDUSSCGKSA-N 1 0 383.717 3.778 20 30 GHEDRO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)c1 ZINC000600740970 902863093 /nfs/dbraw/zinc/86/30/93/902863093.db2.gz LZZHWKPFHNMWJO-KRWDZBQOSA-N 1 0 382.460 3.640 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CCOCC1 ZINC000600753128 902877240 /nfs/dbraw/zinc/87/72/40/902877240.db2.gz AAHQSEOXVFGYEP-DNVCBOLYSA-N 1 0 387.911 3.860 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)N(c1cc(C(F)(F)F)ncn1)C1CC[NH2+]CC1 ZINC001171230609 903038950 /nfs/dbraw/zinc/03/89/50/903038950.db2.gz FIAARDFRICVHRX-CQSZACIVSA-N 1 0 389.425 3.557 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(O)c4ccccc4c3)CC2)c1 ZINC000846612296 903091778 /nfs/dbraw/zinc/09/17/78/903091778.db2.gz RHUCFZSOEVOTDX-UHFFFAOYSA-N 1 0 385.467 3.811 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(COCCOC(C)C)c2)CC1 ZINC000264436611 903092971 /nfs/dbraw/zinc/09/29/71/903092971.db2.gz YKQBUCWIPMDTKB-UHFFFAOYSA-N 1 0 389.540 3.790 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000264442209 903096230 /nfs/dbraw/zinc/09/62/30/903096230.db2.gz ZNVNFGWDHNOITD-UHFFFAOYSA-N 1 0 382.464 3.694 20 30 GHEDRO C[NH+]1CCC(ONC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000846646793 903111487 /nfs/dbraw/zinc/11/14/87/903111487.db2.gz GFWFUJWZIAIXEO-UHFFFAOYSA-N 1 0 385.851 3.760 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000772949181 903140286 /nfs/dbraw/zinc/14/02/86/903140286.db2.gz PSTAQRDFAXEXEH-UTKZUKDTSA-N 1 0 382.504 3.669 20 30 GHEDRO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000264532660 903177294 /nfs/dbraw/zinc/17/72/94/903177294.db2.gz FAXSUSRKMJMBEZ-UHFFFAOYSA-N 1 0 382.460 3.650 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC ZINC000772954891 903230497 /nfs/dbraw/zinc/23/04/97/903230497.db2.gz QIMRLBJEYJVDHD-HNNXBMFYSA-N 1 0 389.517 3.687 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000847027860 903407060 /nfs/dbraw/zinc/40/70/60/903407060.db2.gz DUADQWRHPVWLLP-HZPDHXFCSA-N 1 0 381.501 3.673 20 30 GHEDRO N#CCc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000578009161 903442652 /nfs/dbraw/zinc/44/26/52/903442652.db2.gz JYOAEYBVPKKRCL-QHCPKHFHSA-N 1 0 390.531 3.854 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000264875011 903444277 /nfs/dbraw/zinc/44/42/77/903444277.db2.gz PKROXDIJIRTSBV-HZPDHXFCSA-N 1 0 397.544 3.521 20 30 GHEDRO N#CCc1ccccc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000601198545 903452976 /nfs/dbraw/zinc/45/29/76/903452976.db2.gz CHWTXGLHFNRVIP-UHFFFAOYSA-N 1 0 397.906 3.679 20 30 GHEDRO Cc1nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc(-c2ccccn2)n1 ZINC001171274575 903468268 /nfs/dbraw/zinc/46/82/68/903468268.db2.gz DIRANVLXJNOPRA-UHFFFAOYSA-N 1 0 384.487 3.817 20 30 GHEDRO CSc1nc2c(c(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)n1)CCC2 ZINC001171275234 903481920 /nfs/dbraw/zinc/48/19/20/903481920.db2.gz WFIYHCFVLPULBL-UHFFFAOYSA-N 1 0 379.533 3.657 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1OC ZINC000264937077 903489273 /nfs/dbraw/zinc/48/92/73/903489273.db2.gz DKOIOONAYPTJSU-UHFFFAOYSA-N 1 0 384.476 3.503 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)C(C)C ZINC000171980525 903501517 /nfs/dbraw/zinc/50/15/17/903501517.db2.gz YPAADWWDMOYIAZ-IBGZPJMESA-N 1 0 384.549 3.963 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000578091229 903510109 /nfs/dbraw/zinc/51/01/09/903510109.db2.gz WMZMIUVXIPCWDZ-MBSDFSHPSA-N 1 0 389.499 3.836 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccc(C#N)c(F)c3)cc[nH+]2)CC1 ZINC001212836910 903512795 /nfs/dbraw/zinc/51/27/95/903512795.db2.gz LKDYLBQKUZARMC-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO N#CCc1ccc([N+](=O)[O-])c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171277559 903539455 /nfs/dbraw/zinc/53/94/55/903539455.db2.gz OQRUPPDPUJBQKG-UHFFFAOYSA-N 1 0 375.432 3.631 20 30 GHEDRO N#CC1(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)CC[NH+](Cc2ccccc2)CC1 ZINC001171277694 903548196 /nfs/dbraw/zinc/54/81/96/903548196.db2.gz OREJOMSORGOZEO-UHFFFAOYSA-N 1 0 386.499 3.775 20 30 GHEDRO CN(C)c1ncc2cc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc2n1 ZINC001171277831 903558683 /nfs/dbraw/zinc/55/86/83/903558683.db2.gz WRYKBAXCQCTPMP-UHFFFAOYSA-N 1 0 386.503 3.666 20 30 GHEDRO COC(=O)/C=C/c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001171282454 903581790 /nfs/dbraw/zinc/58/17/90/903581790.db2.gz NNCVQWKGGRJWGD-FMIVXFBMSA-N 1 0 375.472 3.843 20 30 GHEDRO COC[C@@]1(C[NH2+]Cc2cccc(OCCCC#N)c2)OCCc2ccccc21 ZINC000578181521 903592423 /nfs/dbraw/zinc/59/24/23/903592423.db2.gz QIZGZTMMWZLHIJ-HSZRJFAPSA-N 1 0 380.488 3.573 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)ccc1OC ZINC000772979812 903736623 /nfs/dbraw/zinc/73/66/23/903736623.db2.gz NHLPBCNQPQAUAX-YLJYHZDGSA-N 1 0 395.503 3.907 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000303397929 914745333 /nfs/dbraw/zinc/74/53/33/914745333.db2.gz IZGZWBJVXOVKQD-KRWDZBQOSA-N 1 0 378.879 3.574 20 30 GHEDRO Cc1ccc(-n2cc3ccc(C[NH3+])cc3n2)cc1NC(=O)c1cccc(C#N)c1 ZINC001171324979 904022378 /nfs/dbraw/zinc/02/23/78/904022378.db2.gz RYIVJRYBHJGHMQ-UHFFFAOYSA-N 1 0 381.439 3.917 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)c(F)c1F ZINC001186723002 914779596 /nfs/dbraw/zinc/77/95/96/914779596.db2.gz IRDLJYWIXZTFET-UHFFFAOYSA-N 1 0 382.401 3.529 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000578801751 904132256 /nfs/dbraw/zinc/13/22/56/904132256.db2.gz UDQFHTAMYHYVJC-ZCYQVOJMSA-N 1 0 387.527 3.884 20 30 GHEDRO C[C@H](c1ccccc1)N(C(=O)c1ccc(NC(N)=[NH2+])cc1)C1=CC(=O)CCC1 ZINC001148646085 904136525 /nfs/dbraw/zinc/13/65/25/904136525.db2.gz NSNNBFCLERWHEK-OAHLLOKOSA-N 1 0 376.460 3.832 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNc3cccc(-n4cccn4)c3C#N)cc2)CC1 ZINC000578882342 904204878 /nfs/dbraw/zinc/20/48/78/904204878.db2.gz KDESAAHFGXDEHI-UHFFFAOYSA-N 1 0 387.487 3.829 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000152485951 904275053 /nfs/dbraw/zinc/27/50/53/904275053.db2.gz YKQBIYVIVZTPCC-YJBOKZPZSA-N 1 0 383.442 3.962 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1ncc(OCC2CC[NH+](C)CC2)cn1 ZINC001171372301 904378595 /nfs/dbraw/zinc/37/85/95/904378595.db2.gz IAHBYYAWVHUJQL-KRWDZBQOSA-N 1 0 382.508 3.935 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000773042509 904393717 /nfs/dbraw/zinc/39/37/17/904393717.db2.gz VZYHPNWDQYFLMS-OAHLLOKOSA-N 1 0 391.920 3.999 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001171375575 904402809 /nfs/dbraw/zinc/40/28/09/904402809.db2.gz ACUDSSMFGFBJQJ-KRWDZBQOSA-N 1 0 379.504 3.988 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1cccc2nc([C@@H]3C[NH2+]CCO3)cn21 ZINC001171376418 904404671 /nfs/dbraw/zinc/40/46/71/904404671.db2.gz WCMQFWGRSHCRPY-UZLBHIALSA-N 1 0 378.476 3.733 20 30 GHEDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000159969502 904432222 /nfs/dbraw/zinc/43/22/22/904432222.db2.gz FLSQKMUJOSURRW-UGKGYDQZSA-N 1 0 379.504 3.686 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)n(C2CC[NH+](C)CC2)n1 ZINC000579346919 904531451 /nfs/dbraw/zinc/53/14/51/904531451.db2.gz YYHRXDYJPVWPKR-MRXNPFEDSA-N 1 0 380.496 3.555 20 30 GHEDRO COc1cc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1OC1CCCC1 ZINC000579499761 904656208 /nfs/dbraw/zinc/65/62/08/904656208.db2.gz DWWBPAQXVKDXLD-HNNXBMFYSA-N 1 0 391.475 3.782 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(OCc3ccccc3)c2)CC1 ZINC000579506593 904661512 /nfs/dbraw/zinc/66/15/12/904661512.db2.gz FYEORZDMKWYIOA-UHFFFAOYSA-N 1 0 379.504 3.715 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171539380 904764428 /nfs/dbraw/zinc/76/44/28/904764428.db2.gz MMFDHRHWDIMLCB-ZHRRBRCNSA-N 1 0 392.465 3.994 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000579676141 904803078 /nfs/dbraw/zinc/80/30/78/904803078.db2.gz KHSLIHOBODBVEG-LVCYWYKZSA-N 1 0 390.535 3.559 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3C[C@H](C)N(Cc4ccccc4)C3)C2)C1 ZINC001171744766 904971863 /nfs/dbraw/zinc/97/18/63/904971863.db2.gz HZZOHUUPENDDMS-ODGPQVTHSA-N 1 0 397.563 3.760 20 30 GHEDRO CC[C@@H]1C[C@H](NC(=[NH2+])c2ccc(F)cn2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817705 905033676 /nfs/dbraw/zinc/03/36/76/905033676.db2.gz HITYKLULITUBFB-MUJYYYPQSA-N 1 0 378.492 3.883 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](NC(=[NH2+])c2ccc(Cl)cn2)CC12CCC2 ZINC001171833641 905083600 /nfs/dbraw/zinc/08/36/00/905083600.db2.gz MINZVFQETHLUSM-AWEZNQCLSA-N 1 0 378.904 3.763 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001171834274 905085014 /nfs/dbraw/zinc/08/50/14/905085014.db2.gz NDAGUGWLPQYMHC-QGZVFWFLSA-N 1 0 387.405 3.785 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173964794 905173754 /nfs/dbraw/zinc/17/37/54/905173754.db2.gz UOHFZHZWCBYVEQ-CVEARBPZSA-N 1 0 396.447 3.589 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172056014 905256525 /nfs/dbraw/zinc/25/65/25/905256525.db2.gz BDABGPNPXROSSZ-GOSISDBHSA-N 1 0 393.572 3.761 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1F ZINC000174495633 905280976 /nfs/dbraw/zinc/28/09/76/905280976.db2.gz DUJRQYUEWNWJSX-SFHVURJKSA-N 1 0 392.434 3.968 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174806539 905356574 /nfs/dbraw/zinc/35/65/74/905356574.db2.gz QVSQGEYDJHMJRT-UHFFFAOYSA-N 1 0 387.524 3.750 20 30 GHEDRO COC(=O)[C@@H](C[NH3+])c1cn([C@@H](C)Cc2ccc(C#N)cc2)c2ccc(OC)cc12 ZINC001172300561 905453444 /nfs/dbraw/zinc/45/34/44/905453444.db2.gz WTBMPLJSNBAZQS-YWZLYKJASA-N 1 0 391.471 3.541 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001172302763 905454427 /nfs/dbraw/zinc/45/44/27/905454427.db2.gz QKUBXNNDVJAAJV-AYOQOUSVSA-N 1 0 375.488 3.674 20 30 GHEDRO COC(=O)c1cccc(CN2CCC([NH2+][C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172300752 905455004 /nfs/dbraw/zinc/45/50/04/905455004.db2.gz YSBSBCDSSCZZCF-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO COC(=O)c1ccccc1CN1CCC([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300711 905455360 /nfs/dbraw/zinc/45/53/60/905455360.db2.gz YBLJZIQOHSRMRG-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001172306263 905461656 /nfs/dbraw/zinc/46/16/56/905461656.db2.gz WBSIRRUEZFWOKQ-RDPSFJRHSA-N 1 0 375.516 3.861 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001172306518 905461721 /nfs/dbraw/zinc/46/17/21/905461721.db2.gz XGNSZWANPSCVNL-PGRDOPGGSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001172307514 905462877 /nfs/dbraw/zinc/46/28/77/905462877.db2.gz HPXQRFMFRXDWAD-ULLYJBBUSA-N 1 0 377.488 3.585 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001172309016 905465303 /nfs/dbraw/zinc/46/53/03/905465303.db2.gz QGNQCGHPRMVGJR-PVERMEFCSA-N 1 0 391.515 3.723 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC001172308763 905465597 /nfs/dbraw/zinc/46/55/97/905465597.db2.gz ZRHXXKXPBQDJTL-QGZVFWFLSA-N 1 0 377.463 3.757 20 30 GHEDRO COc1ccc(F)c(CN2CCC([NH2+][C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172298812 905483871 /nfs/dbraw/zinc/48/38/71/905483871.db2.gz HRNBJQGJLRLBMC-QGZVFWFLSA-N 1 0 381.495 3.891 20 30 GHEDRO COc1cc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)ccc1OC1CCOCC1 ZINC001172298105 905483879 /nfs/dbraw/zinc/48/38/79/905483879.db2.gz DEFWIXFGPFMVCI-QGZVFWFLSA-N 1 0 380.488 3.845 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1Cc2c(-c3cnn(C)c3)nnn2C[C@@H]1COC ZINC001172359606 905528542 /nfs/dbraw/zinc/52/85/42/905528542.db2.gz YXDCEVAMIQOHGM-RBUKOAKNSA-N 1 0 388.560 3.648 20 30 GHEDRO CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001172468852 905550203 /nfs/dbraw/zinc/55/02/03/905550203.db2.gz ODWXKJVWMDBRQL-ZJSXRUAMSA-N 1 0 399.579 3.928 20 30 GHEDRO CCCCCCC[C@H](CCC)N(Cc1ncn2c1C[NH2+]CCC2)S(C)(=O)=O ZINC001172509451 905604312 /nfs/dbraw/zinc/60/43/12/905604312.db2.gz WZEIUCJRSRWSJK-SFHVURJKSA-N 1 0 398.617 3.667 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CCN(Cc4ccccc4)C(=O)C3)C2)cc1 ZINC001172689415 905739943 /nfs/dbraw/zinc/73/99/43/905739943.db2.gz VRVVTQJRJMFOOF-JTHBVZDNSA-N 1 0 389.499 3.593 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H](C)CCC(=O)OC(C)C)C2)CC1 ZINC001172748994 905787060 /nfs/dbraw/zinc/78/70/60/905787060.db2.gz HLWVJVKTUUXABS-SFHVURJKSA-N 1 0 380.529 3.607 20 30 GHEDRO CC1=C(c2ccco2)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000801600069 921178054 /nfs/dbraw/zinc/17/80/54/921178054.db2.gz AYPYGVWOWIBNGC-QGZVFWFLSA-N 1 0 384.439 3.996 20 30 GHEDRO CC1=C(c2ccco2)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000801600067 921178185 /nfs/dbraw/zinc/17/81/85/921178185.db2.gz AYPYGVWOWIBNGC-KRWDZBQOSA-N 1 0 384.439 3.996 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2-c2nncn2C(C)C)CC1 ZINC000176319916 905818301 /nfs/dbraw/zinc/81/83/01/905818301.db2.gz AYWLFFCMUALCPZ-UHFFFAOYSA-N 1 0 382.512 3.688 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCC[C@@H](C(=O)OC)CC3)C2)CC1 ZINC001172785334 905826775 /nfs/dbraw/zinc/82/67/75/905826775.db2.gz ZAFKKBAZASSXGY-MOPGFXCFSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN([C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172861961 905915839 /nfs/dbraw/zinc/91/58/39/905915839.db2.gz OGZQTWJGNWHWCR-SFHVURJKSA-N 1 0 379.951 3.702 20 30 GHEDRO CCN(CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1cccc(C)c1 ZINC001172968259 906028949 /nfs/dbraw/zinc/02/89/49/906028949.db2.gz PUGDXQDWIIYCDH-QUCCMNQESA-N 1 0 386.540 3.703 20 30 GHEDRO COc1ccc2c(c1)c(C[NH3+])cn2[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972499 906031588 /nfs/dbraw/zinc/03/15/88/906031588.db2.gz AOABNNNVSMUUGK-HOTGVXAUSA-N 1 0 384.480 3.573 20 30 GHEDRO Cc1c(CC[NH3+])c2ccccc2n1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172971942 906034688 /nfs/dbraw/zinc/03/46/88/906034688.db2.gz UWJBKMMBRHGYAK-IRXDYDNUSA-N 1 0 382.508 3.915 20 30 GHEDRO COc1cccc(OC)c1[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977333 906042354 /nfs/dbraw/zinc/04/23/54/906042354.db2.gz BFBNPSYFDSXKOC-JYJNAYRXSA-N 1 0 389.496 3.646 20 30 GHEDRO COc1ccc2c(C[NH3+])cn([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c2c1 ZINC001172976393 906043087 /nfs/dbraw/zinc/04/30/87/906043087.db2.gz OWLLEGJGBDVASI-HOTGVXAUSA-N 1 0 384.480 3.573 20 30 GHEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CCC2 ZINC001172977587 906044397 /nfs/dbraw/zinc/04/43/97/906044397.db2.gz CZEOWEGAAXSPOR-FUHIMQAGSA-N 1 0 385.508 3.954 20 30 GHEDRO COc1ccccc1CC1([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172979218 906045263 /nfs/dbraw/zinc/04/52/63/906045263.db2.gz WFAOMXLGKQJFHC-MSOLQXFVSA-N 1 0 385.508 3.652 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172978820 906045285 /nfs/dbraw/zinc/04/52/85/906045285.db2.gz ASWAGUVSBBYPKP-BZSNNMDCSA-N 1 0 385.508 3.776 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)C[C@H]1C#N ZINC001172981960 906049283 /nfs/dbraw/zinc/04/92/83/906049283.db2.gz QSYXZYPKMXQNEW-GJZGRUSLSA-N 1 0 383.685 3.991 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177241703 906072604 /nfs/dbraw/zinc/07/26/04/906072604.db2.gz NWKGETLTKOMXTK-UHFFFAOYSA-N 1 0 399.535 3.639 20 30 GHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1cccs1 ZINC000284322952 906121765 /nfs/dbraw/zinc/12/17/65/906121765.db2.gz TZJFYQCOCRFEJC-UHFFFAOYSA-N 1 0 391.610 3.701 20 30 GHEDRO N#CCCCC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454809 906136837 /nfs/dbraw/zinc/13/68/37/906136837.db2.gz JAAZADDBWPPIOL-UHFFFAOYSA-N 1 0 384.261 3.828 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000177994591 906263164 /nfs/dbraw/zinc/26/31/64/906263164.db2.gz IOEXWSYJTMOKAQ-HXUWFJFHSA-N 1 0 384.911 3.774 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000178114807 906289249 /nfs/dbraw/zinc/28/92/49/906289249.db2.gz DFYWONMAPZEQBQ-ZDUSSCGKSA-N 1 0 383.305 3.533 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H]([NH2+]C1CCC(CC#N)CC1)CCO2 ZINC001173326043 906373947 /nfs/dbraw/zinc/37/39/47/906373947.db2.gz RATLJPROLAHJBB-YMPMHWPESA-N 1 0 377.529 3.607 20 30 GHEDRO C=CCOC1CCC([NH+]2CCN(CCCC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001173326359 906374030 /nfs/dbraw/zinc/37/40/30/906374030.db2.gz ZMVKBEKIYKTWRW-UHFFFAOYSA-N 1 0 388.527 3.920 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H]([NH2+]C1CCC(CC#N)CC1)CCO2 ZINC001173326040 906374274 /nfs/dbraw/zinc/37/42/74/906374274.db2.gz RATLJPROLAHJBB-JWYNLTDQSA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@@H+](C1CCC(CC#N)CC1)CCO2 ZINC001173330864 906375228 /nfs/dbraw/zinc/37/52/28/906375228.db2.gz GJVWVQLCEHNNOU-NGICGMGXSA-N 1 0 377.529 3.561 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)CC1 ZINC001173335335 906376956 /nfs/dbraw/zinc/37/69/56/906376956.db2.gz IEZYYHJYFDWWFW-HQAQSGSHSA-N 1 0 375.538 3.612 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001173335653 906379732 /nfs/dbraw/zinc/37/97/32/906379732.db2.gz UJTSSSXUOUILSN-JVPYDEADSA-N 1 0 392.547 3.950 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC001173422224 906456809 /nfs/dbraw/zinc/45/68/09/906456809.db2.gz KZNPHPRHGGSQJE-UHFFFAOYSA-N 1 0 377.532 3.969 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4ccc(Cl)cc4C3)CC2)cc1 ZINC001173424802 906460387 /nfs/dbraw/zinc/46/03/87/906460387.db2.gz LIUBROAQYVUFEA-JOCHJYFZSA-N 1 0 393.918 3.963 20 30 GHEDRO CC(C)C[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccn1 ZINC001173425375 906461472 /nfs/dbraw/zinc/46/14/72/906461472.db2.gz SMXXBFIIFPPMBB-JOCHJYFZSA-N 1 0 376.504 3.935 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](CO)c3cccc4ccccc43)CC2)cc1 ZINC001173427904 906465190 /nfs/dbraw/zinc/46/51/90/906465190.db2.gz DRDUMYGDFJUWMZ-XMMPIXPASA-N 1 0 399.494 3.639 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](Oc4ccccc4)C3)CC2)cc1 ZINC001173431997 906468185 /nfs/dbraw/zinc/46/81/85/906468185.db2.gz UMXDMRXEOCROHA-HSZRJFAPSA-N 1 0 389.499 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@H](C[NH2+]C3CCC(C)(C#N)CC3)O2)CC1 ZINC001173586756 906545646 /nfs/dbraw/zinc/54/56/46/906545646.db2.gz FNLJQEMCXHYOQJ-OHTSDLOESA-N 1 0 377.529 3.607 20 30 GHEDRO Cc1cccc(CN2CCO[C@H]3C[N@@H+](C4CCC(C)(C#N)CC4)CC[C@H]3C2=O)c1 ZINC001173596315 906551206 /nfs/dbraw/zinc/55/12/06/906551206.db2.gz RLODIQSDRSLWPJ-NLMCKWEYSA-N 1 0 395.547 3.517 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)CC1 ZINC001173596147 906551382 /nfs/dbraw/zinc/55/13/82/906551382.db2.gz LIERDEKBBMURRM-KXALBIEPSA-N 1 0 387.499 3.943 20 30 GHEDRO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)c3ccccc31)C2 ZINC001111307456 906609365 /nfs/dbraw/zinc/60/93/65/906609365.db2.gz KGHYTHJUOYLYMA-LZQZEXGQSA-N 1 0 382.508 3.641 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001173683872 906623851 /nfs/dbraw/zinc/62/38/51/906623851.db2.gz IWBFXADSTZZDKE-BRWVUGGUSA-N 1 0 395.544 3.540 20 30 GHEDRO NC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)cc1 ZINC001173708496 906658136 /nfs/dbraw/zinc/65/81/36/906658136.db2.gz PZWWFDWCCCSCJC-JOCHJYFZSA-N 1 0 399.494 3.627 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(-c2ccc(C#N)cc2)n1 ZINC000180271367 906733686 /nfs/dbraw/zinc/73/36/86/906733686.db2.gz OSOAXQBQJMHAPP-PMACEKPBSA-N 1 0 376.460 3.640 20 30 GHEDRO CCN(C(=O)Cc1ccccc1CC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000777366474 906905043 /nfs/dbraw/zinc/90/50/43/906905043.db2.gz DIMVHFYFZVJSOD-WMZHIEFXSA-N 1 0 375.516 3.979 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cccc(F)c3Br)CC2)C1=O ZINC001276008532 921276877 /nfs/dbraw/zinc/27/68/77/921276877.db2.gz WMGURNCDQIWNPK-UHFFFAOYSA-N 1 0 381.289 3.589 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000181414698 906994773 /nfs/dbraw/zinc/99/47/73/906994773.db2.gz QTXFDBSFHGYPRM-QGZVFWFLSA-N 1 0 383.517 3.584 20 30 GHEDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000191714125 907170948 /nfs/dbraw/zinc/17/09/48/907170948.db2.gz TZLRTWNMBNSVMC-HOYKHHGWSA-N 1 0 388.515 3.678 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1C#N ZINC000773428125 907291440 /nfs/dbraw/zinc/29/14/40/907291440.db2.gz IZKHERLSTJKUSQ-NQIIRXRSSA-N 1 0 376.460 3.734 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192045313 907373121 /nfs/dbraw/zinc/37/31/21/907373121.db2.gz XERWJPDQEJLRCZ-TZIWHRDSSA-N 1 0 383.879 3.706 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C#N)CCc3ccccc3)cc2F)CC1 ZINC001175284836 907463255 /nfs/dbraw/zinc/46/32/55/907463255.db2.gz UBANUUCAKBBOQD-LJQANCHMSA-N 1 0 394.494 3.679 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000184354780 907568299 /nfs/dbraw/zinc/56/82/99/907568299.db2.gz WMSIEEMLMQYKRX-KRWDZBQOSA-N 1 0 396.491 3.630 20 30 GHEDRO C[N@H+]1C[C@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C[C@H]2C1 ZINC000192531165 907714639 /nfs/dbraw/zinc/71/46/39/907714639.db2.gz VDYJLSWZSWAGRU-CALCHBBNSA-N 1 0 381.863 3.638 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC001175809490 907764617 /nfs/dbraw/zinc/76/46/17/907764617.db2.gz ATJMQZUVJZVMDZ-UHFFFAOYSA-N 1 0 376.382 3.612 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2c(Cl)cc(Cl)cc2C#N)cc1 ZINC001175809745 907766023 /nfs/dbraw/zinc/76/60/23/907766023.db2.gz GXQDRZXFWRFRAH-UHFFFAOYSA-N 1 0 377.275 3.900 20 30 GHEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000779627815 907972598 /nfs/dbraw/zinc/97/25/98/907972598.db2.gz QMGVYTRWZQEHBB-UHFFFAOYSA-N 1 0 379.382 3.950 20 30 GHEDRO COc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+](C)C)cc1OC ZINC000192975408 908038564 /nfs/dbraw/zinc/03/85/64/908038564.db2.gz ILZFZOKDBZFOSY-QMFLXTPQSA-N 1 0 379.460 3.679 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000299503541 921384182 /nfs/dbraw/zinc/38/41/82/921384182.db2.gz BUVKRSHPSGADKC-CYBMUJFWSA-N 1 0 384.867 3.849 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)cc1 ZINC001176718426 908244824 /nfs/dbraw/zinc/24/48/24/908244824.db2.gz NRWGUNXAZAFRGU-HXUWFJFHSA-N 1 0 385.305 3.999 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCSc4ccc(F)cc43)C2=O)cc1 ZINC000190613854 908508895 /nfs/dbraw/zinc/50/88/95/908508895.db2.gz GPVHGANLQQXIOY-RTBURBONSA-N 1 0 381.476 3.625 20 30 GHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 ZINC001177450140 908575169 /nfs/dbraw/zinc/57/51/69/908575169.db2.gz XOOVZVWCBWTEID-ICSRJNTNSA-N 1 0 395.526 3.777 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000191503308 908634181 /nfs/dbraw/zinc/63/41/81/908634181.db2.gz WAXQQXHZKIUSTP-LJQANCHMSA-N 1 0 386.584 3.934 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)c1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000193735415 908664217 /nfs/dbraw/zinc/66/42/17/908664217.db2.gz PVIRNFUONZBWFE-UHFFFAOYSA-N 1 0 390.409 3.961 20 30 GHEDRO C=C(C[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001177687804 908709940 /nfs/dbraw/zinc/70/99/40/908709940.db2.gz IMQXVEJUUFDYBB-LJQANCHMSA-N 1 0 397.523 3.653 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193883216 908779640 /nfs/dbraw/zinc/77/96/40/908779640.db2.gz HUHFYSKWOORYFP-SFHVURJKSA-N 1 0 379.508 3.758 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccccc2OCC#N)CC1 ZINC000194161146 908861101 /nfs/dbraw/zinc/86/11/01/908861101.db2.gz CINQFBQVAIDVGK-UHFFFAOYSA-N 1 0 377.488 3.751 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)CC1 ZINC000194581288 908954646 /nfs/dbraw/zinc/95/46/46/908954646.db2.gz HPVKEOSACIGTBO-UHFFFAOYSA-N 1 0 389.952 3.696 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2=O)ccc1Br ZINC001178430495 909034344 /nfs/dbraw/zinc/03/43/44/909034344.db2.gz GTUUVBIZLUKNMO-IBGZPJMESA-N 1 0 398.304 3.914 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1 ZINC000266440928 909161765 /nfs/dbraw/zinc/16/17/65/909161765.db2.gz GPFXVZRESFSPOK-DLBZAZTESA-N 1 0 381.476 3.690 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000266737717 909281832 /nfs/dbraw/zinc/28/18/32/909281832.db2.gz MJKLYBJXVDEWMT-CDHQVMDDSA-N 1 0 387.549 3.766 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000267371178 909469241 /nfs/dbraw/zinc/46/92/41/909469241.db2.gz KFWMDAWRROIQKO-XMSQKQJNSA-N 1 0 376.504 3.610 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1OC ZINC000267406203 909484580 /nfs/dbraw/zinc/48/45/80/909484580.db2.gz HEBMYWKZQGIZHX-UGKGYDQZSA-N 1 0 397.519 3.584 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179376615 909513113 /nfs/dbraw/zinc/51/31/13/909513113.db2.gz BZUHHCXXTZQVME-GOSISDBHSA-N 1 0 393.572 3.523 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H]2COc3cccc(Br)c3C2)cc1 ZINC001179429715 909521881 /nfs/dbraw/zinc/52/18/81/909521881.db2.gz HPVFXVIHEPIECH-MRXNPFEDSA-N 1 0 386.289 3.945 20 30 GHEDRO Cc1ccc(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001179941096 909816892 /nfs/dbraw/zinc/81/68/92/909816892.db2.gz MVMLHMOVIWZJGN-MEMLXQNLSA-N 1 0 379.479 3.847 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000795332238 909931908 /nfs/dbraw/zinc/93/19/08/909931908.db2.gz JUTXJIQRQBWLJQ-TZIWHRDSSA-N 1 0 389.499 3.555 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000795333351 909962541 /nfs/dbraw/zinc/96/25/41/909962541.db2.gz NPPUAJMIJTXTEG-ZBFHGGJFSA-N 1 0 385.851 3.799 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000366379587 921552229 /nfs/dbraw/zinc/55/22/29/921552229.db2.gz MVDOVHBGGBQJPJ-RXVVDRJESA-N 1 0 376.504 3.811 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(Br)ccc3Cl)C2)C1=O ZINC001276032211 921550735 /nfs/dbraw/zinc/55/07/35/921550735.db2.gz SZENIUIVPPWUFK-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000269174828 910171536 /nfs/dbraw/zinc/17/15/36/910171536.db2.gz YGVHKRBWZFBPEO-GASCZTMLSA-N 1 0 390.915 3.565 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1OCCCC#N ZINC000269311236 910211195 /nfs/dbraw/zinc/21/11/95/910211195.db2.gz FXMQJEKVYSMIKG-SFHVURJKSA-N 1 0 390.549 3.912 20 30 GHEDRO Cc1cccc(OCC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC001180503442 910214233 /nfs/dbraw/zinc/21/42/33/910214233.db2.gz RLGBFNKPYCBRMA-HZCBDIJESA-N 1 0 391.515 3.853 20 30 GHEDRO N#CCOc1cccc(NCC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001180739891 910326741 /nfs/dbraw/zinc/32/67/41/910326741.db2.gz ICKQKHVKFPQHSK-UHFFFAOYSA-N 1 0 394.475 3.864 20 30 GHEDRO C[C@H](C#N)OCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000801919928 921625038 /nfs/dbraw/zinc/62/50/38/921625038.db2.gz KILNRMPHXOHIKR-OAHLLOKOSA-N 1 0 382.439 3.756 20 30 GHEDRO C[C@@]1(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1(Cl)Cl ZINC001182144221 911205536 /nfs/dbraw/zinc/20/55/36/911205536.db2.gz VABFYIFXQCGXLE-BQFCYCMXSA-N 1 0 380.319 3.741 20 30 GHEDRO C[C@@H](C#N)OCC[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000801939184 921653985 /nfs/dbraw/zinc/65/39/85/921653985.db2.gz NLBZOHMEWJCPRJ-OXJNMPFZSA-N 1 0 383.492 3.924 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366517482 921661763 /nfs/dbraw/zinc/66/17/63/921661763.db2.gz VBXHYEASBGKJCY-AZUAARDMSA-N 1 0 382.508 3.558 20 30 GHEDRO COc1cc(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1C ZINC001182305616 911453753 /nfs/dbraw/zinc/45/37/53/911453753.db2.gz AIGMDROZYLUIEG-HZCBDIJESA-N 1 0 391.515 3.717 20 30 GHEDRO N#Cc1cccc(CCC(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001182340388 911510654 /nfs/dbraw/zinc/51/06/54/911510654.db2.gz LRQAGMGAZPRUBH-RPWUZVMVSA-N 1 0 387.527 3.861 20 30 GHEDRO CCN1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801958124 921686810 /nfs/dbraw/zinc/68/68/10/921686810.db2.gz XKSHRULLUJEEQG-PCCBWWKXSA-N 1 0 387.886 3.809 20 30 GHEDRO C[C@]12CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C[C@H]1C2(Cl)Cl ZINC000284303162 911819228 /nfs/dbraw/zinc/81/92/28/911819228.db2.gz IZJHYYZTXRIFNM-AEFFLSMTSA-N 1 0 390.318 3.874 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000092849278 911857181 /nfs/dbraw/zinc/85/71/81/911857181.db2.gz BLTDQEFCIVWSTL-RBBKRZOGSA-N 1 0 396.922 3.751 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000092849277 911858085 /nfs/dbraw/zinc/85/80/85/911858085.db2.gz BLTDQEFCIVWSTL-IRLDBZIGSA-N 1 0 396.922 3.751 20 30 GHEDRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000248231565 911881183 /nfs/dbraw/zinc/88/11/83/911881183.db2.gz RGYRVAJCPTZXJB-PERKRYKHSA-N 1 0 387.524 3.655 20 30 GHEDRO CC#CCCCCCCCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001182768656 912038552 /nfs/dbraw/zinc/03/85/52/912038552.db2.gz HTKXXQYKLFRLPU-GOTSBHOMSA-N 1 0 397.563 3.637 20 30 GHEDRO COC1(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCCCCC1 ZINC001182773106 912041899 /nfs/dbraw/zinc/04/18/99/912041899.db2.gz OYOKWZYCJKHDSB-UHFFFAOYSA-N 1 0 393.535 3.810 20 30 GHEDRO COc1cccc([C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)N2CCCC2)c1 ZINC000303776640 915122068 /nfs/dbraw/zinc/12/20/68/915122068.db2.gz HXVASTADAZYWKT-QFIPXVFZSA-N 1 0 378.520 3.748 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000303865843 915223745 /nfs/dbraw/zinc/22/37/45/915223745.db2.gz BUGGMZNERZXBNT-CQSZACIVSA-N 1 0 382.291 3.722 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(Oc3cccc(OC)c3)nc2)cc1 ZINC000303877017 915235043 /nfs/dbraw/zinc/23/50/43/915235043.db2.gz FFFCCZRVZBKPHY-UHFFFAOYSA-N 1 0 378.432 3.818 20 30 GHEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1ccsc1 ZINC000303877036 915235097 /nfs/dbraw/zinc/23/50/97/915235097.db2.gz FFRUBMXCIYGGPM-INIZCTEOSA-N 1 0 376.526 3.575 20 30 GHEDRO Cc1cccc(C(=O)NCCNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303875907 915235271 /nfs/dbraw/zinc/23/52/71/915235271.db2.gz HVBSBZIFSMPGTL-ZDUSSCGKSA-N 1 0 393.318 3.697 20 30 GHEDRO CCCCCCNC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000303876780 915235756 /nfs/dbraw/zinc/23/57/56/915235756.db2.gz IJRZKWTZROLSAE-UHFFFAOYSA-N 1 0 390.535 3.978 20 30 GHEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N(C)C)cc1 ZINC000303888162 915298474 /nfs/dbraw/zinc/29/84/74/915298474.db2.gz OSJIWOHBCCUYTL-KRWDZBQOSA-N 1 0 380.414 3.923 20 30 GHEDRO [NH2+]=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1ccc2c(c1)CCC2 ZINC000303904652 915305148 /nfs/dbraw/zinc/30/51/48/915305148.db2.gz VBNGSPNRHGOXTB-UHFFFAOYSA-N 1 0 377.414 3.818 20 30 GHEDRO COc1ccccc1C[N@H+](CCOc1ccc(C#N)cc1OC)C[C@H]1CCCO1 ZINC000303951068 915322445 /nfs/dbraw/zinc/32/24/45/915322445.db2.gz ZWOZMGWOYKHKHY-HXUWFJFHSA-N 1 0 396.487 3.635 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNc2cc(F)ccc2C#N)CC1 ZINC001187550791 915347768 /nfs/dbraw/zinc/34/77/68/915347768.db2.gz PNAAEEFSKDMXRH-UHFFFAOYSA-N 1 0 390.503 3.832 20 30 GHEDRO C[C@H]1CCCN(C(=[NH2+])NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000303991181 915350124 /nfs/dbraw/zinc/35/01/24/915350124.db2.gz ZKQSQOQITDXTHM-HNNXBMFYSA-N 1 0 394.357 3.544 20 30 GHEDRO C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@@H+](C2CCC2)C1 ZINC000292053452 915494848 /nfs/dbraw/zinc/49/48/48/915494848.db2.gz BCGIVTWECWRMNE-GOSISDBHSA-N 1 0 378.520 3.544 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304482169 915523272 /nfs/dbraw/zinc/52/32/72/915523272.db2.gz ITQDPMWUPBCIOG-OAQYLSRUSA-N 1 0 389.503 3.541 20 30 GHEDRO [NH2+]=C(NCC(=O)NCCc1ccccc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304514733 915526985 /nfs/dbraw/zinc/52/69/85/915526985.db2.gz VAUQUZDVEMEUCO-UHFFFAOYSA-N 1 0 388.471 3.564 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC2CCC2)cc1 ZINC000292289090 915603428 /nfs/dbraw/zinc/60/34/28/915603428.db2.gz JDTAAHKQBTWMPN-UHFFFAOYSA-O 1 0 375.464 3.896 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCOc2ccccc2C(F)(F)F)c1 ZINC000304743118 915669238 /nfs/dbraw/zinc/66/92/38/915669238.db2.gz CXYKZPZXCDSKSJ-UHFFFAOYSA-N 1 0 383.370 3.528 20 30 GHEDRO COc1cc(CCNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)ccc1O ZINC000304764650 915700664 /nfs/dbraw/zinc/70/06/64/915700664.db2.gz YIAGWAXZZMEKKM-LLVKDONJSA-N 1 0 382.291 3.916 20 30 GHEDRO Cc1nc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)c(Cl)cc1C#N ZINC000292640567 915777755 /nfs/dbraw/zinc/77/77/55/915777755.db2.gz OOPVSXZXWZEMDO-LBPRGKRZSA-N 1 0 376.917 3.706 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c(OCC(F)(F)F)c1 ZINC000304936631 915792709 /nfs/dbraw/zinc/79/27/09/915792709.db2.gz JNYXLTWFVXHFPK-MRXNPFEDSA-N 1 0 393.409 3.864 20 30 GHEDRO CCOc1cccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000775211398 916346713 /nfs/dbraw/zinc/34/67/13/916346713.db2.gz DLISLNXAUVRFBH-BEFAXECRSA-N 1 0 386.455 3.973 20 30 GHEDRO CCOc1cccc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000775211406 916347171 /nfs/dbraw/zinc/34/71/71/916347171.db2.gz DLISLNXAUVRFBH-DNVCBOLYSA-N 1 0 386.455 3.973 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccc(OCC#N)cc1 ZINC000775336521 917006863 /nfs/dbraw/zinc/00/68/63/917006863.db2.gz KSLKSTOTBOXIBE-FZKQIMNGSA-N 1 0 375.266 3.736 20 30 GHEDRO CCCCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000775339791 917054097 /nfs/dbraw/zinc/05/40/97/917054097.db2.gz ZMCQZTYPCVAJEY-MRXNPFEDSA-N 1 0 379.460 3.804 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000775403381 917507868 /nfs/dbraw/zinc/50/78/68/917507868.db2.gz HKNKUTJWRLLWKK-PZJWPPBQSA-N 1 0 375.497 3.703 20 30 GHEDRO CCOc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(F)c1F ZINC001190729076 917532898 /nfs/dbraw/zinc/53/28/98/917532898.db2.gz GJWNZFDQRHPQIW-UHFFFAOYSA-N 1 0 399.441 3.652 20 30 GHEDRO C=CCCCCCCCCCN1CC2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001275806029 917623347 /nfs/dbraw/zinc/62/33/47/917623347.db2.gz ZZJOTBHYPZLOEY-UHFFFAOYSA-N 1 0 376.463 3.769 20 30 GHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)C1 ZINC000651692201 917695644 /nfs/dbraw/zinc/69/56/44/917695644.db2.gz XWLIDNOMSYVTLN-PKOBYXMFSA-N 1 0 376.566 3.783 20 30 GHEDRO C[NH+]1CCC(c2ccc(NC(=O)c3ccc(C#CC(C)(C)O)cc3)cc2)CC1 ZINC001191175172 917831500 /nfs/dbraw/zinc/83/15/00/917831500.db2.gz GSKFRNAITYNDGV-UHFFFAOYSA-N 1 0 376.500 3.871 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(c4nc5ccccc5s4)CC3)n2c1 ZINC000363237990 917955747 /nfs/dbraw/zinc/95/57/47/917955747.db2.gz VFFROIICMBSXMB-UHFFFAOYSA-N 1 0 388.500 3.574 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1 ZINC001191936973 918308070 /nfs/dbraw/zinc/30/80/70/918308070.db2.gz OQNRZZMLNNQDCN-MOPGFXCFSA-N 1 0 395.453 3.821 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001191943841 918311366 /nfs/dbraw/zinc/31/13/66/918311366.db2.gz UDTCRPICJLODDB-WKILWMFISA-N 1 0 387.405 3.888 20 30 GHEDRO CN(CC[N@H+](C)Cc1ccccc1)C(=O)c1ccc(C#N)cc1C(F)(F)F ZINC001192099549 918438638 /nfs/dbraw/zinc/43/86/38/918438638.db2.gz ZLBXLEKZJHYTJI-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115596248 919459664 /nfs/dbraw/zinc/45/96/64/919459664.db2.gz GDBPCDHXCMJBTP-XMMPIXPASA-N 1 0 398.510 3.603 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3)CC2)C1=O ZINC001275916707 919595252 /nfs/dbraw/zinc/59/52/52/919595252.db2.gz YOOTVVROAPCETO-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000298535335 920641001 /nfs/dbraw/zinc/64/10/01/920641001.db2.gz VOGJCUJKGSEHFI-JCGIZDLHSA-N 1 0 394.441 3.661 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C ZINC000900828471 920641268 /nfs/dbraw/zinc/64/12/68/920641268.db2.gz TVMPVMRTUYJKQT-UHFFFAOYSA-N 1 0 391.313 3.604 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365510583 920885475 /nfs/dbraw/zinc/88/54/75/920885475.db2.gz KNKFGOXNUVWLHH-HNNXBMFYSA-N 1 0 398.536 3.610 20 30 GHEDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000802140269 921855242 /nfs/dbraw/zinc/85/52/42/921855242.db2.gz HNDVKZMBAHNXAZ-OAQYLSRUSA-N 1 0 380.444 3.617 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)COc2ccccc2C#N)C1 ZINC000802147253 921862722 /nfs/dbraw/zinc/86/27/22/921862722.db2.gz RVPJIFCHLZNRDR-VGSWGCGISA-N 1 0 382.435 3.655 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000367594367 922219898 /nfs/dbraw/zinc/21/98/98/922219898.db2.gz LBXHQVDKROIOKT-UHFFFAOYSA-N 1 0 398.463 3.503 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC000802652681 922308170 /nfs/dbraw/zinc/30/81/70/922308170.db2.gz QIKANIFJBXAAOZ-QFBILLFUSA-N 1 0 388.943 3.971 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000802713460 922352006 /nfs/dbraw/zinc/35/20/06/922352006.db2.gz LQWXUAMUFPOXKK-AWEZNQCLSA-N 1 0 385.430 3.730 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cccc(C#N)c1 ZINC000902765768 922483785 /nfs/dbraw/zinc/48/37/85/922483785.db2.gz BDTKYZKHLNCIPE-HSZRJFAPSA-N 1 0 379.504 3.510 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(C2(O)CCC2)CC1 ZINC000903257559 922886794 /nfs/dbraw/zinc/88/67/94/922886794.db2.gz HHDWRAMSIHVBOV-KRWDZBQOSA-N 1 0 391.556 3.591 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(c4cccnn4)CC3)c2)c1 ZINC000369290798 923253954 /nfs/dbraw/zinc/25/39/54/923253954.db2.gz RMCSNBSKRMDIKG-UHFFFAOYSA-N 1 0 399.498 3.686 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000369813659 923640839 /nfs/dbraw/zinc/64/08/39/923640839.db2.gz JLALAXNOGAKBPZ-FQEVSTJZSA-N 1 0 399.926 3.511 20 30 GHEDRO C[C@@H](OC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000748680736 923779301 /nfs/dbraw/zinc/77/93/01/923779301.db2.gz SIROUASDGRTHGB-LJQANCHMSA-N 1 0 377.488 3.765 20 30 GHEDRO CC1(COC(=O)Cc2ccc(OCC#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000749052505 923997597 /nfs/dbraw/zinc/99/75/97/923997597.db2.gz SMHKPXMAXRLIHK-UHFFFAOYSA-N 1 0 392.499 3.977 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2Br)cc1C#N ZINC000749116732 924030274 /nfs/dbraw/zinc/03/02/74/924030274.db2.gz LEPLUOTYLXXCGH-ZDUSSCGKSA-N 1 0 375.266 3.886 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cnc5ccccc5c4)C3)CC2=O)c1 ZINC001137280696 924210542 /nfs/dbraw/zinc/21/05/42/924210542.db2.gz HFEKHTNRVWJTTL-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)cc1OCCCC#N ZINC000370729780 924277892 /nfs/dbraw/zinc/27/78/92/924277892.db2.gz KMYKKDHFLQJZRN-IBGZPJMESA-N 1 0 399.491 3.774 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409813652 925023899 /nfs/dbraw/zinc/02/38/99/925023899.db2.gz QYGWJOOKIHUDBD-GHTZIAJQSA-N 1 0 399.498 3.527 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000410719706 925803419 /nfs/dbraw/zinc/80/34/19/925803419.db2.gz ZQEBFPWDZDSMHC-UHFFFAOYSA-N 1 0 399.579 3.562 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1)C1CCOCC1 ZINC000827560367 925809537 /nfs/dbraw/zinc/80/95/37/925809537.db2.gz PJWCQUMJAXBYTH-HNNXBMFYSA-N 1 0 387.115 3.730 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1)C1CCOCC1 ZINC000827571193 925823336 /nfs/dbraw/zinc/82/33/36/925823336.db2.gz WCCVOXHXWUDSGM-OAQYLSRUSA-N 1 0 375.472 3.959 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1)C(C)C ZINC000373371701 926059582 /nfs/dbraw/zinc/05/95/82/926059582.db2.gz ANQCJQPGLTUCEV-GGAORHGYSA-N 1 0 383.536 3.984 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000411187159 926170476 /nfs/dbraw/zinc/17/04/76/926170476.db2.gz KJTLSJQVGFSKDT-OAHLLOKOSA-N 1 0 396.447 3.887 20 30 GHEDRO CSc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000411231003 926231833 /nfs/dbraw/zinc/23/18/33/926231833.db2.gz XITDVPYOBXVKQA-GOSISDBHSA-N 1 0 398.528 3.563 20 30 GHEDRO COc1ccc(CNC(=O)C2CC[NH+](CCC3(C#N)CCCCC3)CC2)cc1 ZINC000411307686 926301915 /nfs/dbraw/zinc/30/19/15/926301915.db2.gz NPMNVNFGPUSLFB-UHFFFAOYSA-N 1 0 383.536 3.888 20 30 GHEDRO N#CC1(NC(=O)C2(Cc3ccccc3F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000373633769 926302229 /nfs/dbraw/zinc/30/22/29/926302229.db2.gz KPCZIZMZXGWMGQ-UHFFFAOYSA-N 1 0 391.490 3.823 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000411634772 926580428 /nfs/dbraw/zinc/58/04/28/926580428.db2.gz AUOHOTXJMISJJB-UHFFFAOYSA-N 1 0 377.838 3.737 20 30 GHEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411686129 926642739 /nfs/dbraw/zinc/64/27/39/926642739.db2.gz CMJRGWYQQHZGHD-JOCHJYFZSA-N 1 0 390.531 3.777 20 30 GHEDRO C#Cc1cccc(NC(=S)NCc2ccccc2OCC[NH+](CC)CC)c1 ZINC000726466837 926686134 /nfs/dbraw/zinc/68/61/34/926686134.db2.gz XZEHGRZWQYWORG-UHFFFAOYSA-N 1 0 381.545 3.875 20 30 GHEDRO C[N@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)C1CCC(C(C)(C)C)CC1 ZINC000726587217 926744520 /nfs/dbraw/zinc/74/45/20/926744520.db2.gz WFDSUAPBLDWDRZ-UHFFFAOYSA-N 1 0 396.535 3.817 20 30 GHEDRO COc1cc(Cl)c(C[N@@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)c(Cl)c1 ZINC001276180995 926857361 /nfs/dbraw/zinc/85/73/61/926857361.db2.gz PTXHJEFMIUAAKC-IBGZPJMESA-N 1 0 396.318 3.730 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC3(CCC3)CC2)c(OC)c1 ZINC000411873885 926864546 /nfs/dbraw/zinc/86/45/46/926864546.db2.gz YPXHHBCQFCGLJI-GOSISDBHSA-N 1 0 377.550 3.525 20 30 GHEDRO COc1cccc([C@@H](C)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)c1 ZINC000412016068 927009339 /nfs/dbraw/zinc/00/93/39/927009339.db2.gz VTYFUJLIVWYANX-MQNAVGNWSA-N 1 0 389.499 3.576 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H](CO)[C@H]2C)c1C#N ZINC000412065561 927052847 /nfs/dbraw/zinc/05/28/47/927052847.db2.gz CUZHAHNYYJUPTF-MSOLQXFVSA-N 1 0 386.540 3.513 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374369896 927063673 /nfs/dbraw/zinc/06/36/73/927063673.db2.gz WFDDEDQKWQPLKF-SJLPKXTDSA-N 1 0 387.549 3.768 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3csc(Cl)c3)C2)C1=O ZINC001276205237 927361779 /nfs/dbraw/zinc/36/17/79/927361779.db2.gz HCEVUUXUPYAXEW-NQIIRXRSSA-N 1 0 384.932 3.853 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)C[C@@H](CC#N)c3ccccc3)cc2)CC1 ZINC000375295367 928133298 /nfs/dbraw/zinc/13/32/98/928133298.db2.gz GZAHDSNPQMVBQY-OAQYLSRUSA-N 1 0 391.515 3.863 20 30 GHEDRO N#CCC1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000543842077 928489965 /nfs/dbraw/zinc/48/99/65/928489965.db2.gz HVOKZQKTUBMRRP-IBGZPJMESA-N 1 0 379.426 3.593 20 30 GHEDRO CC[C@@H](O)[C@@H]1CCCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000467148703 928761303 /nfs/dbraw/zinc/76/13/03/928761303.db2.gz GUQJATZMMVCAKQ-LEWJYISDSA-N 1 0 394.519 3.530 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCOc2ccc(OC)cc21)C(C)C ZINC000467273845 928903540 /nfs/dbraw/zinc/90/35/40/928903540.db2.gz TUHVBKPJKSAFIB-VQTJNVASSA-N 1 0 387.524 3.517 20 30 GHEDRO CC[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000467411678 929044675 /nfs/dbraw/zinc/04/46/75/929044675.db2.gz PIYPISWDNZAKIK-SFHVURJKSA-N 1 0 391.924 3.621 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000467711436 929326590 /nfs/dbraw/zinc/32/65/90/929326590.db2.gz BUHGMGAXWGKIRX-YWZLYKJASA-N 1 0 377.513 3.922 20 30 GHEDRO Brc1ccc2c(c1)C(=NNC1=[NH+][C@@H]3CCCC[C@H]3N1)CCS2 ZINC000753937247 929600701 /nfs/dbraw/zinc/60/07/01/929600701.db2.gz ZFSFZBDGMRORBV-ZIAGYGMSSA-N 1 0 379.327 3.509 20 30 GHEDRO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)C[N@@H+]1C1CC1 ZINC000753959233 929612089 /nfs/dbraw/zinc/61/20/89/929612089.db2.gz GMIQEGFCTGUFHE-HNNXBMFYSA-N 1 0 384.505 3.512 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000469281611 929758735 /nfs/dbraw/zinc/75/87/35/929758735.db2.gz YOYDTASECNWARF-FOIQADDNSA-N 1 0 379.508 3.664 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)cc1 ZINC000758495887 930062045 /nfs/dbraw/zinc/06/20/45/930062045.db2.gz SRPBESQEHJTRBV-HSZRJFAPSA-N 1 0 394.588 3.744 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)cc1 ZINC000758496990 930062064 /nfs/dbraw/zinc/06/20/64/930062064.db2.gz WVWYSLJRIPBKMW-GHTZIAJQSA-N 1 0 381.545 3.685 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000546707596 930371024 /nfs/dbraw/zinc/37/10/24/930371024.db2.gz JLNOMYHAEIRBHF-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1-c1ccccc1 ZINC000780745552 930589914 /nfs/dbraw/zinc/58/99/14/930589914.db2.gz QSINUFRDKGZNPL-UZUQRXQVSA-N 1 0 399.498 3.899 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCO2 ZINC000780745187 930590119 /nfs/dbraw/zinc/59/01/19/930590119.db2.gz OUUKXLIAZUHRSW-LEWJYISDSA-N 1 0 375.472 3.729 20 30 GHEDRO CCC(CC)(CNC(=O)[C@@H](O)c1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000780938133 930644995 /nfs/dbraw/zinc/64/49/95/930644995.db2.gz KUAOIRPDUOZLJG-UWJYYQICSA-N 1 0 379.504 3.617 20 30 GHEDRO C=CCOCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000470717126 930847194 /nfs/dbraw/zinc/84/71/94/930847194.db2.gz IDDUCVOMSWHMNS-QHCPKHFHSA-N 1 0 396.506 3.504 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781509814 930873849 /nfs/dbraw/zinc/87/38/49/930873849.db2.gz FQKJBXNVYWJBAZ-INIZCTEOSA-N 1 0 376.456 3.572 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547416016 930995280 /nfs/dbraw/zinc/99/52/80/930995280.db2.gz NTHMBRNTOGWVRA-IBGZPJMESA-N 1 0 378.476 3.553 20 30 GHEDRO CC(C)(C#N)CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000781849568 930999288 /nfs/dbraw/zinc/99/92/88/930999288.db2.gz KZXGNSSSTYSQRF-UHFFFAOYSA-N 1 0 385.512 3.562 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000470913851 931025614 /nfs/dbraw/zinc/02/56/14/931025614.db2.gz SRURLVJHWVBZFQ-FQEVSTJZSA-N 1 0 381.451 3.707 20 30 GHEDRO N#CCSc1ccccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000924139623 931204507 /nfs/dbraw/zinc/20/45/07/931204507.db2.gz KCFVOIYZIHWWTO-VQTJNVASSA-N 1 0 391.540 3.896 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000557517122 931513484 /nfs/dbraw/zinc/51/34/84/931513484.db2.gz DWFMLOOKJJSIHR-OPAMFIHVSA-N 1 0 395.528 3.826 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000783998680 931748139 /nfs/dbraw/zinc/74/81/39/931748139.db2.gz BEZDYPOOCHISMH-KRWDZBQOSA-N 1 0 387.549 3.789 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@@H](NC(C)=O)c2ccccc2F)c1 ZINC000925419300 931777351 /nfs/dbraw/zinc/77/73/51/931777351.db2.gz OHDSVIGWEOZLAC-QXATTWAWSA-N 1 0 383.467 3.862 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784503394 931916525 /nfs/dbraw/zinc/91/65/25/931916525.db2.gz CFULNJZNMFWMNG-QXAKKESOSA-N 1 0 385.508 3.692 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1C#N ZINC000558469354 932020357 /nfs/dbraw/zinc/02/03/57/932020357.db2.gz QCKYWGOTPFDUPV-PMACEKPBSA-N 1 0 383.879 3.533 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)ccc1OC ZINC000796824537 932080356 /nfs/dbraw/zinc/08/03/56/932080356.db2.gz HZUQLLOMOZLZJD-WMZOPIPTSA-N 1 0 391.475 3.808 20 30 GHEDRO CO[C@](C)(C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926455550 932190939 /nfs/dbraw/zinc/19/09/39/932190939.db2.gz AFXOILZFVHSFOH-OXJNMPFZSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000926583406 932235702 /nfs/dbraw/zinc/23/57/02/932235702.db2.gz GYKFRWDYTHFPTO-BDXSIMOUSA-N 1 0 379.545 3.709 20 30 GHEDRO Cc1ccncc1CC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926689667 932273550 /nfs/dbraw/zinc/27/35/50/932273550.db2.gz NELFNABZVVMNGK-GOSISDBHSA-N 1 0 386.540 3.842 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCOC1(C)C ZINC000926726016 932283788 /nfs/dbraw/zinc/28/37/88/932283788.db2.gz FRBBNYYCJMPHDI-IAGOWNOFSA-N 1 0 379.545 3.711 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000558984235 932355420 /nfs/dbraw/zinc/35/54/20/932355420.db2.gz RMRUETAZQPABBN-LJQANCHMSA-N 1 0 383.540 3.545 20 30 GHEDRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](C[NH2+][C@H]1CCc3ccc(C#N)cc31)O2 ZINC000926994489 932374032 /nfs/dbraw/zinc/37/40/32/932374032.db2.gz JWXMPFCOPNQWIP-GZRZCRQQSA-N 1 0 382.504 3.805 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)oc3C)cc2Cl)CC1 ZINC000797839364 932425846 /nfs/dbraw/zinc/42/58/46/932425846.db2.gz CVLLZIFZLPSBEC-UHFFFAOYSA-N 1 0 386.883 3.897 20 30 GHEDRO C#Cc1cncc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000798150248 932546481 /nfs/dbraw/zinc/54/64/81/932546481.db2.gz SGWSBRDPZIGIAX-UHFFFAOYSA-N 1 0 381.479 3.610 20 30 GHEDRO C[C@@]1(CNC(=O)CSCc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798523587 932686935 /nfs/dbraw/zinc/68/69/35/932686935.db2.gz MUTLITHWVWBRLG-QHCPKHFHSA-N 1 0 393.556 3.820 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000559540116 932723909 /nfs/dbraw/zinc/72/39/09/932723909.db2.gz BHXLMNVOQFEIJI-CYBMUJFWSA-N 1 0 390.409 3.831 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)c1 ZINC000626356179 932871474 /nfs/dbraw/zinc/87/14/74/932871474.db2.gz WEJYMORIBQICEP-UHFFFAOYSA-N 1 0 387.524 3.750 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000799125499 932883603 /nfs/dbraw/zinc/88/36/03/932883603.db2.gz HDXGPQSCCMOVGR-UHFFFAOYSA-N 1 0 379.545 3.855 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CCOCC1 ZINC000799169331 932896364 /nfs/dbraw/zinc/89/63/64/932896364.db2.gz GIWJFUOBIPWFIV-OAQYLSRUSA-N 1 0 399.535 3.725 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1Cl ZINC000560184967 933117980 /nfs/dbraw/zinc/11/79/80/933117980.db2.gz UYFGFXUUWFJWRW-OALUTQOASA-N 1 0 375.900 3.539 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000560485723 933284788 /nfs/dbraw/zinc/28/47/88/933284788.db2.gz SSQKNHDIAYVZGE-FQEVSTJZSA-N 1 0 381.472 3.743 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)c(F)c1 ZINC000560501690 933295442 /nfs/dbraw/zinc/29/54/42/933295442.db2.gz XCVZIRKPLOUMLF-UHFFFAOYSA-N 1 0 393.462 3.520 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000560538730 933325780 /nfs/dbraw/zinc/32/57/80/933325780.db2.gz OCAOKWHIMGIJNT-ILWGZMRPSA-N 1 0 377.488 3.828 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000560547762 933332909 /nfs/dbraw/zinc/33/29/09/933332909.db2.gz AHNNNCYEKDPTDJ-DEOSSOPVSA-N 1 0 391.490 3.755 20 30 GHEDRO N#Cc1cc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000561106782 933872670 /nfs/dbraw/zinc/87/26/70/933872670.db2.gz WDDVKIAOMVLSBM-SFHVURJKSA-N 1 0 385.855 3.951 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000561199811 933950947 /nfs/dbraw/zinc/95/09/47/933950947.db2.gz SGEBFGVWAZMIEH-JPYJTQIMSA-N 1 0 387.483 3.905 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001117672332 933977358 /nfs/dbraw/zinc/97/73/58/933977358.db2.gz NUMKUQYCQDCFLB-NOTZXAQLSA-N 1 0 388.515 3.943 20 30 GHEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001118146859 934098211 /nfs/dbraw/zinc/09/82/11/934098211.db2.gz FZFBYHRAZFCIMG-AWEZNQCLSA-N 1 0 386.293 3.870 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)NCc3nc(C#N)cs3)c2)CC1 ZINC000930651637 934159008 /nfs/dbraw/zinc/15/90/08/934159008.db2.gz XHWCBPMZBRHHGB-UHFFFAOYSA-N 1 0 383.521 3.611 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](CCCOC)c2ccc(Cl)cc2)CC1 ZINC000561568185 934277120 /nfs/dbraw/zinc/27/71/20/934277120.db2.gz URHQUAVGMCOSHO-GOSISDBHSA-N 1 0 393.959 3.800 20 30 GHEDRO C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001119382763 934339550 /nfs/dbraw/zinc/33/95/50/934339550.db2.gz CDAPPTFVHJJWGR-PKOBYXMFSA-N 1 0 392.341 3.784 20 30 GHEDRO N#CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001119723151 934385853 /nfs/dbraw/zinc/38/58/53/934385853.db2.gz NYYCUDOFOBQASM-VQIMIIECSA-N 1 0 378.394 3.516 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001120511654 934469202 /nfs/dbraw/zinc/46/92/02/934469202.db2.gz SDJMMUSXKBRJLI-MSOLQXFVSA-N 1 0 391.556 3.591 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC001120658217 934486840 /nfs/dbraw/zinc/48/68/40/934486840.db2.gz KWCYSUXEDSMHGJ-GHTZIAJQSA-N 1 0 380.467 3.537 20 30 GHEDRO Cc1nsc(NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1C#N ZINC000931342741 934511706 /nfs/dbraw/zinc/51/17/06/934511706.db2.gz JMCZQFNNWCPIHB-UHFFFAOYSA-N 1 0 395.532 3.942 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931365687 934523728 /nfs/dbraw/zinc/52/37/28/934523728.db2.gz IXAYWYCYIRPYOD-HNNXBMFYSA-N 1 0 379.489 3.704 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121590264 934709206 /nfs/dbraw/zinc/70/92/06/934709206.db2.gz RYEDFRWKVXJCKW-INIZCTEOSA-N 1 0 398.580 3.777 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001121602142 934711958 /nfs/dbraw/zinc/71/19/58/934711958.db2.gz WFXZDOLRGSWZMP-HNNXBMFYSA-N 1 0 398.477 3.724 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC2(CCCC2)C1 ZINC001121629392 934719374 /nfs/dbraw/zinc/71/93/74/934719374.db2.gz SQMLFKWKPOKESU-IBGZPJMESA-N 1 0 385.556 3.551 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1 ZINC000931812381 934732610 /nfs/dbraw/zinc/73/26/10/934732610.db2.gz BLNPXMFXHIQMEJ-UHFFFAOYSA-N 1 0 375.375 3.991 20 30 GHEDRO CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001121789460 934764798 /nfs/dbraw/zinc/76/47/98/934764798.db2.gz WZJRRGCLGINLDU-UHFFFAOYSA-N 1 0 380.540 3.588 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccccc1 ZINC000931993696 934793409 /nfs/dbraw/zinc/79/34/09/934793409.db2.gz LGSAGQLFFFFJRE-CVDCTZTESA-N 1 0 399.535 3.662 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(CCCCC#N)n2Cc2ccccc2)CC1 ZINC001122143827 934831540 /nfs/dbraw/zinc/83/15/40/934831540.db2.gz QXWOOALAGSQFBL-UHFFFAOYSA-N 1 0 394.567 3.873 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@H](C)CCC ZINC001122374337 934858695 /nfs/dbraw/zinc/85/86/95/934858695.db2.gz MSWRUSOPZCKHRL-MJGOQNOKSA-N 1 0 375.561 3.795 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1C(C#N)(CC)CC ZINC001122435422 934868949 /nfs/dbraw/zinc/86/89/49/934868949.db2.gz SRSAOXAXUMYCAJ-UHFFFAOYSA-N 1 0 384.572 3.890 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001122489888 934881560 /nfs/dbraw/zinc/88/15/60/934881560.db2.gz ACOJRLDDCJHRLG-IBGZPJMESA-N 1 0 399.539 3.744 20 30 GHEDRO C=C(C)Cn1c(Cc2ncccc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001122498299 934883271 /nfs/dbraw/zinc/88/32/71/934883271.db2.gz LCEJZMCWZBKQAO-UHFFFAOYSA-N 1 0 396.583 3.705 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1[C@@]1(C)CCC=CO1 ZINC001122539905 934894008 /nfs/dbraw/zinc/89/40/08/934894008.db2.gz OPJDSSKLFOFHBL-JOCHJYFZSA-N 1 0 385.556 3.848 20 30 GHEDRO C=C(C)Cn1c(-c2cocn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001122560822 934900680 /nfs/dbraw/zinc/90/06/80/934900680.db2.gz LTTFJQFSTXVKQB-QZTJIDSGSA-N 1 0 384.528 3.600 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122582278 934908223 /nfs/dbraw/zinc/90/82/23/934908223.db2.gz ZIIYTOWIAQKQQQ-UHFFFAOYSA-N 1 0 384.528 3.581 20 30 GHEDRO C=C(C)Cn1c([C@H](C)[C@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122645451 934932262 /nfs/dbraw/zinc/93/22/62/934932262.db2.gz CAWQBAUHNCMNEV-RTBURBONSA-N 1 0 389.588 3.573 20 30 GHEDRO N#Cc1csc(C(=O)O[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001123222276 935122058 /nfs/dbraw/zinc/12/20/58/935122058.db2.gz BWNKAPIXCHFVLE-IBGZPJMESA-N 1 0 396.512 3.990 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2nnc(C(C)(C)CC#N)n2CC2CC2)CC1 ZINC001123681151 935251323 /nfs/dbraw/zinc/25/13/23/935251323.db2.gz JSYXCGUUSOBROC-SFHVURJKSA-N 1 0 392.551 3.763 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)cc1 ZINC000828072384 935573385 /nfs/dbraw/zinc/57/33/85/935573385.db2.gz AZMHNBWPDLRLAQ-UHFFFAOYSA-N 1 0 389.503 3.822 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc3c(C#N)c[nH]c3c2)cc1 ZINC001137627093 935642116 /nfs/dbraw/zinc/64/21/16/935642116.db2.gz GJNCFEWFXJWWHE-JOCHJYFZSA-N 1 0 388.471 3.615 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c(Br)c1 ZINC001137636572 935651801 /nfs/dbraw/zinc/65/18/01/935651801.db2.gz DAKJECQUCKAKRT-QGZVFWFLSA-N 1 0 390.325 3.545 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cccc(F)c1Br)C2 ZINC001137719838 935746168 /nfs/dbraw/zinc/74/61/68/935746168.db2.gz PHPBQRPHYRLIRC-MAUKXSAKSA-N 1 0 384.289 3.914 20 30 GHEDRO N#CCOc1ccc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)cc1 ZINC000829830426 935869907 /nfs/dbraw/zinc/86/99/07/935869907.db2.gz SLXTWLSUPWWSRL-SFHVURJKSA-N 1 0 380.366 3.701 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CCO2 ZINC001171485550 1014965507 /nfs/dbraw/zinc/96/55/07/1014965507.db2.gz VJQDFXWUBPPSBF-NNMXDRDESA-N 1 0 377.475 3.896 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCSC2(CCC2)CC1)c1cccc(Cl)c1 ZINC000411872336 1015060845 /nfs/dbraw/zinc/06/08/45/1015060845.db2.gz VEDFCXPDWYFTFA-UHFFFAOYSA-N 1 0 377.941 3.948 20 30 GHEDRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000468024027 1015160031 /nfs/dbraw/zinc/16/00/31/1015160031.db2.gz GUSXBBVHUSSIES-UHFFFAOYSA-N 1 0 390.487 3.869 20 30 GHEDRO C[N@H+](CCC(=O)N[C@@H](C#N)c1cccc(Br)c1)C1CCCCC1 ZINC000545308491 1015761894 /nfs/dbraw/zinc/76/18/94/1015761894.db2.gz ZRYSELXHRGVFHH-KRWDZBQOSA-N 1 0 378.314 3.785 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)on2)c1 ZINC000469052905 1016378843 /nfs/dbraw/zinc/37/88/43/1016378843.db2.gz PTNBLYXELPUZAM-UHFFFAOYSA-N 1 0 392.503 3.941 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000469083974 1016440761 /nfs/dbraw/zinc/44/07/61/1016440761.db2.gz VVADTLZYVNRGHW-HXUWFJFHSA-N 1 0 394.519 3.651 20 30 GHEDRO N#CCCCn1cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc21 ZINC000469480551 1016576839 /nfs/dbraw/zinc/57/68/39/1016576839.db2.gz WFIWMRJCKMOFFN-IBGZPJMESA-N 1 0 378.520 3.939 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(Cc3cccc(C#N)c3)n2)cc1 ZINC000547012382 1016786683 /nfs/dbraw/zinc/78/66/83/1016786683.db2.gz YFJNUGLMPWMJDN-UHFFFAOYSA-N 1 0 376.460 3.920 20 30 GHEDRO COc1ccccc1[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccccn1 ZINC000924919805 1017023270 /nfs/dbraw/zinc/02/32/70/1017023270.db2.gz BABOOGPEWVIWBH-XMMPIXPASA-N 1 0 399.498 3.705 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC001220874102 1032164462 /nfs/dbraw/zinc/16/44/62/1032164462.db2.gz MOBMJTNOQZUEPA-LJQANCHMSA-N 1 0 385.552 3.674 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)N[C@H](c3ccc(F)cc3)C3CC[NH2+]CC3)c21 ZINC001221033812 1032245148 /nfs/dbraw/zinc/24/51/48/1032245148.db2.gz KRZZSQQTLCDQAO-HSZRJFAPSA-N 1 0 390.462 3.578 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)N(C)CCc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC001221082606 1032274425 /nfs/dbraw/zinc/27/44/25/1032274425.db2.gz AAVMIRWAUHMJAL-JOCHJYFZSA-N 1 0 378.520 3.607 20 30 GHEDRO C#CCC1(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CCCCC1 ZINC001221097003 1032284565 /nfs/dbraw/zinc/28/45/65/1032284565.db2.gz DYYZAXBDGBZODL-NRFANRHFSA-N 1 0 383.536 3.858 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)CC1 ZINC001221203846 1032329101 /nfs/dbraw/zinc/32/91/01/1032329101.db2.gz CJYVFVWYKFABPL-JOCHJYFZSA-N 1 0 391.490 3.976 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N[C@@H]3CCC[C@H]([NH3+])C3)c(Cl)nn2)cc1 ZINC001154988417 1032369708 /nfs/dbraw/zinc/36/97/08/1032369708.db2.gz CWBFHIYMHCDERZ-UONOGXRCSA-N 1 0 377.826 3.577 20 30 GHEDRO C[N@@H+]1CCC[C@H](Oc2c(Br)cc(C#N)cc2Br)CC1 ZINC001227343246 1032382900 /nfs/dbraw/zinc/38/29/00/1032382900.db2.gz IOJOJAXPDKQKCV-NSHDSACASA-N 1 0 388.103 3.946 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1)c1ccccc1 ZINC001221360457 1032385631 /nfs/dbraw/zinc/38/56/31/1032385631.db2.gz JJWMSJNLAJNOIN-OFNKIYASSA-N 1 0 388.515 3.548 20 30 GHEDRO COC(=O)[C@@H](Nc1ncc(C#N)c2sc(-c3ccccc3)cc21)C(C)(C)[NH3+] ZINC001155369326 1032522653 /nfs/dbraw/zinc/52/26/53/1032522653.db2.gz UPHVJTCKNPDSDX-QGZVFWFLSA-N 1 0 380.473 3.526 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)c4ccccc4c3)C2)C1=O ZINC001277235630 1032535387 /nfs/dbraw/zinc/53/53/87/1032535387.db2.gz REULKCOYYQBYKI-OAQYLSRUSA-N 1 0 397.316 3.660 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155637090 1032615545 /nfs/dbraw/zinc/61/55/45/1032615545.db2.gz SEECZOIDQWXHAR-VOJFVSQTSA-N 1 0 377.275 3.736 20 30 GHEDRO CO[C@@H](C[NH+]1CCN(c2ccc(C3(C#N)CCC3)cn2)CC1)c1ccccc1 ZINC001155714790 1032659202 /nfs/dbraw/zinc/65/92/02/1032659202.db2.gz GHAUSCVNIXQOLM-NRFANRHFSA-N 1 0 376.504 3.537 20 30 GHEDRO Cc1ccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1C#N ZINC000926859146 1017318482 /nfs/dbraw/zinc/31/84/82/1017318482.db2.gz FQVNZYIRRLKLRT-UHFFFAOYSA-N 1 0 376.504 3.673 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(C)c1OC)C2 ZINC001204260516 1032703862 /nfs/dbraw/zinc/70/38/62/1032703862.db2.gz UISQFMWSDYNOIS-IRLDBZIGSA-N 1 0 375.509 3.586 20 30 GHEDRO CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000560526995 1017653114 /nfs/dbraw/zinc/65/31/14/1017653114.db2.gz JXZMUIHOJLBYDZ-UHFFFAOYSA-N 1 0 377.488 3.823 20 30 GHEDRO C[C@@H](COCC1CCCCC1)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932425202 1018292652 /nfs/dbraw/zinc/29/26/52/1018292652.db2.gz SWVGVLSRNXVJKU-QFBILLFUSA-N 1 0 392.503 3.799 20 30 GHEDRO Cc1ccc2c(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c[nH]c2c1 ZINC000778111549 1018591512 /nfs/dbraw/zinc/59/15/12/1018591512.db2.gz UEPDOOWGJYFCAK-UHFFFAOYSA-N 1 0 386.499 3.693 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000562748658 1018597004 /nfs/dbraw/zinc/59/70/04/1018597004.db2.gz KXZOPWAKQZITBX-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]CCOc3ccccc3C#N)CCN2C2CC2)c1 ZINC000562755861 1018606508 /nfs/dbraw/zinc/60/65/08/1018606508.db2.gz OQAOPAYPKIOKKV-GGAORHGYSA-N 1 0 377.488 3.513 20 30 GHEDRO O[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 ZINC000932942283 1018770472 /nfs/dbraw/zinc/77/04/72/1018770472.db2.gz GPZMCQIBSWSRSL-TUAOUCFPSA-N 1 0 389.286 3.823 20 30 GHEDRO FC1(F)[C@H]2C[NH+](CCC3CCOCC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932943023 1018772106 /nfs/dbraw/zinc/77/21/06/1018772106.db2.gz JMQVBHUALAXCLI-QWRGUYRKSA-N 1 0 381.307 3.906 20 30 GHEDRO N#CC(CC[NH+]1CCC2(CC1)C[C@@H](O)CCO2)(c1ccccc1)c1ccccc1 ZINC000933057314 1018823557 /nfs/dbraw/zinc/82/35/57/1018823557.db2.gz NTKZPGTXJSRTHN-QHCPKHFHSA-N 1 0 390.527 3.892 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCC)c(OC)c3)C2)C1 ZINC001204358192 1032794284 /nfs/dbraw/zinc/79/42/84/1032794284.db2.gz ITAGJAMIRQBJNV-QFIPXVFZSA-N 1 0 388.508 3.704 20 30 GHEDRO COCCC[N@H+](Cc1ccccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001204371516 1032813830 /nfs/dbraw/zinc/81/38/30/1032813830.db2.gz INBPQQXCNMRXFA-UHFFFAOYSA-N 1 0 387.524 3.796 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000570173897 1019564740 /nfs/dbraw/zinc/56/47/40/1019564740.db2.gz OIQPUTJPHYCHTG-IEBWSBKVSA-N 1 0 398.304 3.652 20 30 GHEDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000572096465 1019739344 /nfs/dbraw/zinc/73/93/44/1019739344.db2.gz JNBMVXUUBYBRTH-NRFANRHFSA-N 1 0 385.471 3.769 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000574663301 1019896928 /nfs/dbraw/zinc/89/69/28/1019896928.db2.gz CAFTXDMZUMCHNC-ZBFHGGJFSA-N 1 0 378.423 3.546 20 30 GHEDRO C[C@@H](NC(=O)c1ccccc1SCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778962558 1020059964 /nfs/dbraw/zinc/05/99/64/1020059964.db2.gz VCRRSHWDOAMVGM-MJGOQNOKSA-N 1 0 379.529 3.943 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCCc2ccc(Cl)s2)c1 ZINC000576817780 1020073310 /nfs/dbraw/zinc/07/33/10/1020073310.db2.gz PHZJROBARCUUAN-UHFFFAOYSA-N 1 0 382.938 3.659 20 30 GHEDRO C=CCC1(CNC(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)CCCC1 ZINC001228270060 1032873717 /nfs/dbraw/zinc/87/37/17/1032873717.db2.gz LAGAKBVWQCOVLD-NRFANRHFSA-N 1 0 385.552 3.632 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000577590355 1020262629 /nfs/dbraw/zinc/26/26/29/1020262629.db2.gz LYAYSUFDEJDXKZ-UXHICEINSA-N 1 0 390.487 3.519 20 30 GHEDRO CN(C(=O)NCc1ccc(CC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000578763761 1020359616 /nfs/dbraw/zinc/35/96/16/1020359616.db2.gz KAXHEJOASGQBGX-UHFFFAOYSA-N 1 0 376.504 3.559 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)sc2c1CCCC2 ZINC000579105551 1020387443 /nfs/dbraw/zinc/38/74/43/1020387443.db2.gz DKDURRFVQWCSNB-CRAIPNDOSA-N 1 0 387.549 3.718 20 30 GHEDRO N#Cc1ccc(N2CCCN(Cc3ccc(F)cc3C(F)(F)F)CC2)nc1 ZINC001204483597 1032918076 /nfs/dbraw/zinc/91/80/76/1032918076.db2.gz SUPVDZDVNKTUFQ-UHFFFAOYSA-N 1 0 378.373 3.823 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1OC ZINC000191762540 1020808041 /nfs/dbraw/zinc/80/80/41/1020808041.db2.gz JRAJRRXIPRNSGC-FQEVSTJZSA-N 1 0 398.478 3.680 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000649651516 1021169151 /nfs/dbraw/zinc/16/91/51/1021169151.db2.gz OCQSNUUHNSWAIS-KRWDZBQOSA-N 1 0 399.560 3.934 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)cc1 ZINC001140285498 1021316276 /nfs/dbraw/zinc/31/62/76/1021316276.db2.gz MDCJVIYQDOYUHI-UHFFFAOYSA-N 1 0 389.543 3.974 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@@H]1CCc3ccccc3OC1)CCCCC2 ZINC000801570810 1021411617 /nfs/dbraw/zinc/41/16/17/1021411617.db2.gz JVRDXOHODJCQKR-MRXNPFEDSA-N 1 0 395.528 3.811 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCOC12CCCC2 ZINC000903388081 1021597792 /nfs/dbraw/zinc/59/77/92/1021597792.db2.gz JOQRNOSOJWTGNY-QZTJIDSGSA-N 1 0 391.556 3.997 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000834892187 1021632109 /nfs/dbraw/zinc/63/21/09/1021632109.db2.gz QPOYTFFOVBYBLY-FQEVSTJZSA-N 1 0 378.472 3.842 20 30 GHEDRO C[NH+](C)C1CCN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC1 ZINC001140438090 1021707893 /nfs/dbraw/zinc/70/78/93/1021707893.db2.gz MJHCXXZZCKVTPB-UHFFFAOYSA-N 1 0 382.508 3.822 20 30 GHEDRO c1cnn(-c2ccc(N=NC3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)nn2)c1 ZINC000834940185 1021709322 /nfs/dbraw/zinc/70/93/22/1021709322.db2.gz GYZPZUCJJPYISV-QUCCMNQESA-N 1 0 387.491 3.505 20 30 GHEDRO C[N@@H+]1C[C@H]2CCCN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)[C@H]2C1 ZINC001140439764 1021711344 /nfs/dbraw/zinc/71/13/44/1021711344.db2.gz NTMXMNWLUVBRJM-UTKZUKDTSA-N 1 0 394.519 3.822 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)cn1 ZINC001140543033 1021943302 /nfs/dbraw/zinc/94/33/02/1021943302.db2.gz JLJYDOWNLAUDAO-QFIPXVFZSA-N 1 0 386.499 3.529 20 30 GHEDRO COc1ccc([C@@H](C[N@H+](C)Cc2ccc(C#N)nc2)C2(O)CCCCC2)cc1 ZINC001140545935 1021945087 /nfs/dbraw/zinc/94/50/87/1021945087.db2.gz QIBJUOWDUKJJOW-JOCHJYFZSA-N 1 0 379.504 3.873 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001140549224 1021950637 /nfs/dbraw/zinc/95/06/37/1021950637.db2.gz OXXNMPHKGBLSHL-NRFANRHFSA-N 1 0 382.508 3.855 20 30 GHEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001140590388 1022023862 /nfs/dbraw/zinc/02/38/62/1022023862.db2.gz HFWUNVDBJJVFSU-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)c1 ZINC001140599127 1022042798 /nfs/dbraw/zinc/04/27/98/1022042798.db2.gz QUYHBZCRXMXNHV-UHFFFAOYSA-N 1 0 383.879 3.933 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cc(C#N)ccc3Cl)CC[C@@H]21 ZINC001140599006 1022042978 /nfs/dbraw/zinc/04/29/78/1022042978.db2.gz MUGAGZACOICZEV-URVUXULASA-N 1 0 397.954 3.782 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4cc(C#N)ccc4Cl)C3)CC2=O)cc1 ZINC001140600077 1022045397 /nfs/dbraw/zinc/04/53/97/1022045397.db2.gz AXLPJWZHMNQTPG-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1 ZINC001140603506 1022051868 /nfs/dbraw/zinc/05/18/68/1022051868.db2.gz QOKNVQZBKGHCOM-UHFFFAOYSA-N 1 0 385.817 3.588 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)NC(C)C)cc1)[C@@H]2CC ZINC001140614243 1022073173 /nfs/dbraw/zinc/07/31/73/1022073173.db2.gz GEYSTDJWCNHECM-QPPBQGQZSA-N 1 0 397.563 3.746 20 30 GHEDRO C=CCC[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000681649169 1022317889 /nfs/dbraw/zinc/31/78/89/1022317889.db2.gz GRGWWMDIZQCTQI-NRFANRHFSA-N 1 0 379.504 3.667 20 30 GHEDRO N#Cc1ccc2[nH]c(C(=O)N3CCC([NH3+])(Cc4cccc(Cl)c4)CC3)cc2c1 ZINC001156462477 1033045012 /nfs/dbraw/zinc/04/50/12/1033045012.db2.gz NBFLZTUAZQHSNK-UHFFFAOYSA-N 1 0 392.890 3.869 20 30 GHEDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752652 1022434550 /nfs/dbraw/zinc/43/45/50/1022434550.db2.gz NDOKMBSXQFVWEF-ZIAGYGMSSA-N 1 0 379.451 3.962 20 30 GHEDRO CC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140755862 1022445425 /nfs/dbraw/zinc/44/54/25/1022445425.db2.gz VZDKBSKSRXOTBF-AWEZNQCLSA-N 1 0 379.451 3.915 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc(F)c(C#N)c(F)c3)C2)C1=O ZINC001140757690 1022447473 /nfs/dbraw/zinc/44/74/73/1022447473.db2.gz PLQUFEXRGZZZBZ-HSZRJFAPSA-N 1 0 395.453 3.983 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000754200165 1022533611 /nfs/dbraw/zinc/53/36/11/1022533611.db2.gz IVPORZBCKGCHHF-TZIWHRDSSA-N 1 0 382.467 3.835 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@H]2C1 ZINC001140810170 1022594286 /nfs/dbraw/zinc/59/42/86/1022594286.db2.gz XDNHRWSCJAQNSE-WBVHZDCISA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1Cl ZINC001140811396 1022600601 /nfs/dbraw/zinc/60/06/01/1022600601.db2.gz RQZLACDFZNORQO-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1Cl ZINC001140812219 1022602421 /nfs/dbraw/zinc/60/24/21/1022602421.db2.gz QLJBQQWPHVBWIA-JOCHJYFZSA-N 1 0 397.881 3.975 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c1Cl ZINC001140813469 1022610383 /nfs/dbraw/zinc/61/03/83/1022610383.db2.gz JFBAOGNOVZSJOJ-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754390071 1022665628 /nfs/dbraw/zinc/66/56/28/1022665628.db2.gz UPBCGGYSDMHSGO-HUUCEWRRSA-N 1 0 389.546 3.652 20 30 GHEDRO C[C@@H](OC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000754871636 1022942683 /nfs/dbraw/zinc/94/26/83/1022942683.db2.gz ILYFZZPDQZWJKM-PSCUFVCCSA-N 1 0 391.556 3.502 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c(O)c1 ZINC001140949981 1022971266 /nfs/dbraw/zinc/97/12/66/1022971266.db2.gz PMAPJHIIVXDUCS-DEOSSOPVSA-N 1 0 391.515 3.691 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000836496620 1023032624 /nfs/dbraw/zinc/03/26/24/1023032624.db2.gz FUBXZSLBNSYVGC-RTBURBONSA-N 1 0 392.503 3.963 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000755055239 1023049968 /nfs/dbraw/zinc/04/99/68/1023049968.db2.gz JWCWCGGMRKBGNQ-DZGCQCFKSA-N 1 0 394.313 3.667 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001140979011 1023070312 /nfs/dbraw/zinc/07/03/12/1023070312.db2.gz VZMQFSHPPGBIEL-GMAHTHKFSA-N 1 0 379.504 3.717 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1-n1ccc2cc(C[NH3+])cnc21 ZINC001156608300 1033130128 /nfs/dbraw/zinc/13/01/28/1033130128.db2.gz DAPXXLUHLHTATL-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000755978745 1023462128 /nfs/dbraw/zinc/46/21/28/1023462128.db2.gz DKXQYRKZVWLYKQ-XZOQPEGZSA-N 1 0 391.515 3.543 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(Cc3cccc(C)c3Br)C2)CC1 ZINC001141089140 1023463961 /nfs/dbraw/zinc/46/39/61/1023463961.db2.gz KIEKPLKYVMJSDW-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000756002053 1023473411 /nfs/dbraw/zinc/47/34/11/1023473411.db2.gz ZNLVUFJXADUZIY-VQIMIIECSA-N 1 0 386.430 3.852 20 30 GHEDRO N#Cc1c(N)sc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)c1Cl ZINC001141111010 1023525085 /nfs/dbraw/zinc/52/50/85/1023525085.db2.gz CEPGSNODZMMQFE-YJYMSZOUSA-N 1 0 388.924 3.931 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1Cl ZINC001141112611 1023528492 /nfs/dbraw/zinc/52/84/92/1023528492.db2.gz GOTIAUWDCWPOCS-JKSUJKDBSA-N 1 0 386.952 3.809 20 30 GHEDRO COC(=O)[C@H]1CCN(Cc2sc(N)c(C#N)c2Cl)[C@H](c2ccccc2)C1 ZINC001141113059 1023529303 /nfs/dbraw/zinc/52/93/03/1023529303.db2.gz AXIRCVOWBAARPL-ZFWWWQNUSA-N 1 0 389.908 3.982 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000756709238 1023784219 /nfs/dbraw/zinc/78/42/19/1023784219.db2.gz IPQXHJWIFBPTDU-PKOBYXMFSA-N 1 0 386.517 3.628 20 30 GHEDRO C#CC[C@@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1 ZINC000757019692 1023909417 /nfs/dbraw/zinc/90/94/17/1023909417.db2.gz SQDNGMDDKPMSOP-JOCHJYFZSA-N 1 0 379.504 3.581 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC001156672081 1033172997 /nfs/dbraw/zinc/17/29/97/1033172997.db2.gz FFXYBIQOPWLADE-UHFFFAOYSA-N 1 0 390.940 3.861 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4ncccn4)cc3)C2)C1 ZINC001141185377 1024039020 /nfs/dbraw/zinc/03/90/20/1024039020.db2.gz KRHKIOVUXQDSGC-QHCPKHFHSA-N 1 0 392.503 3.754 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3OC)C2)C1=O ZINC001141201283 1024116449 /nfs/dbraw/zinc/11/64/49/1024116449.db2.gz CXNNHGHAKYOQLM-LJQANCHMSA-N 1 0 382.426 3.715 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cccc(-n3ccnc3)c2)CC1 ZINC001141244531 1024252389 /nfs/dbraw/zinc/25/23/89/1024252389.db2.gz PJMLQKROQWGUPD-UHFFFAOYSA-N 1 0 388.471 3.796 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138215846 1024380835 /nfs/dbraw/zinc/38/08/35/1024380835.db2.gz XUFFBOKYVONOMH-UHFFFAOYSA-N 1 0 383.536 3.897 20 30 GHEDRO COCCCC[NH+]1CCN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141298507 1024443799 /nfs/dbraw/zinc/44/37/99/1024443799.db2.gz VCISCUUVLALSNW-UHFFFAOYSA-N 1 0 379.504 3.895 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(OCC[NH+](CC)CC)c2)C1 ZINC000831388817 1024535443 /nfs/dbraw/zinc/53/54/43/1024535443.db2.gz GIYFDDURJVTIDB-GOSISDBHSA-N 1 0 387.524 3.683 20 30 GHEDRO COc1cc2cccnc2c(N(c2nccc(F)c2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001156749814 1033221022 /nfs/dbraw/zinc/22/10/22/1033221022.db2.gz HIMSEMHGYLFIIW-AWEZNQCLSA-N 1 0 379.439 3.915 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(C)c2CCN1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138310122 1024616198 /nfs/dbraw/zinc/61/61/98/1024616198.db2.gz CGYHWFRLIOLNKK-HXUWFJFHSA-N 1 0 393.535 3.896 20 30 GHEDRO C#CCOc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1OC ZINC001138345264 1024706056 /nfs/dbraw/zinc/70/60/56/1024706056.db2.gz BDWJIRWYOLIFLO-UHFFFAOYSA-N 1 0 384.907 3.678 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)cc1OC ZINC001138346746 1024708410 /nfs/dbraw/zinc/70/84/10/1024708410.db2.gz NDOMNVUOYXIOGJ-FQEVSTJZSA-N 1 0 385.504 3.653 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001138556278 1025015770 /nfs/dbraw/zinc/01/57/70/1025015770.db2.gz NFDAXDHYHMYCOB-QHCPKHFHSA-N 1 0 384.520 3.922 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C(=S)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001138560306 1025023104 /nfs/dbraw/zinc/02/31/04/1025023104.db2.gz QFVKTRBFVLECJP-UHFFFAOYSA-N 1 0 388.533 3.763 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cncn1Cc1ccccc1)C2 ZINC001138562302 1025028049 /nfs/dbraw/zinc/02/80/49/1025028049.db2.gz NGBSKXPREAQRGL-GOTSBHOMSA-N 1 0 381.520 3.505 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2nc(C#N)c(Cl)cc2Cl)CCC([NH3+])CC1 ZINC001156802390 1033251806 /nfs/dbraw/zinc/25/18/06/1033251806.db2.gz AMWYZQHTZYVZMX-UHFFFAOYSA-N 1 0 385.295 3.654 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C#N)CC12CCOCC2 ZINC000832031018 1025153395 /nfs/dbraw/zinc/15/33/95/1025153395.db2.gz VATSTGHGHXTJOD-QGZVFWFLSA-N 1 0 379.545 3.570 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001138661041 1025180648 /nfs/dbraw/zinc/18/06/48/1025180648.db2.gz MGIJSZURQLOQLP-FQEVSTJZSA-N 1 0 379.504 3.970 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001138663651 1025185866 /nfs/dbraw/zinc/18/58/66/1025185866.db2.gz BHFQLTZWKPWVGQ-ISKFKSNPSA-N 1 0 394.515 3.702 20 30 GHEDRO N#Cc1cccc(C2CC[NH+](Cc3ccccc3N3CCC(O)CC3)CC2)c1 ZINC001138761955 1025317563 /nfs/dbraw/zinc/31/75/63/1025317563.db2.gz FHWYTZPBVTXRPI-UHFFFAOYSA-N 1 0 375.516 3.899 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cnn(Cc3ccccc3)c1)C2 ZINC001138765864 1025331252 /nfs/dbraw/zinc/33/12/52/1025331252.db2.gz JEIAFJYXZMVSRN-PKTZIBPZSA-N 1 0 381.520 3.505 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000838935207 1025456619 /nfs/dbraw/zinc/45/66/19/1025456619.db2.gz FNLXQQPPGOHZDX-DOTOQJQBSA-N 1 0 388.468 3.640 20 30 GHEDRO C=CCN(C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)C(C)C ZINC000832367306 1025490655 /nfs/dbraw/zinc/49/06/55/1025490655.db2.gz DWBKECLTXFKVAX-UHFFFAOYSA-N 1 0 389.565 3.626 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2-n2nc(C[NH3+])c3ccccc32)c1 ZINC001156865363 1033288132 /nfs/dbraw/zinc/28/81/32/1033288132.db2.gz XFIRURMFCKCXDE-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO COc1cccc(C2(NC(F)(F)c3ccnc(Cl)c3C#N)CC[NH2+]CC2)c1 ZINC001161992465 1025525684 /nfs/dbraw/zinc/52/56/84/1025525684.db2.gz UHKQZPIYVRILHX-UHFFFAOYSA-N 1 0 392.837 3.533 20 30 GHEDRO COc1ccnc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)c1C#N ZINC001162052051 1025566507 /nfs/dbraw/zinc/56/65/07/1025566507.db2.gz LFSQFSFMYCSMTA-UHFFFAOYSA-N 1 0 390.409 3.757 20 30 GHEDRO COC(=O)c1cccc(CN(c2ncc(Cl)cc2C#N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162191956 1025658189 /nfs/dbraw/zinc/65/81/89/1025658189.db2.gz AJNNHVZIJVMBKN-WGSAOQKQSA-N 1 0 398.894 3.670 20 30 GHEDRO Cc1cc(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)ncc1C#N ZINC001162676599 1025868374 /nfs/dbraw/zinc/86/83/74/1025868374.db2.gz PWCCOFZFGYCQOC-UHFFFAOYSA-N 1 0 390.487 3.591 20 30 GHEDRO N#Cc1c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)nc(Cl)cc1C(F)(F)F ZINC001163050598 1026025309 /nfs/dbraw/zinc/02/53/09/1026025309.db2.gz SSJTXABKHPXCNP-LLVKDONJSA-N 1 0 383.805 3.649 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001163473724 1026207058 /nfs/dbraw/zinc/20/70/58/1026207058.db2.gz VLSMHAQUJZEBSV-UHFFFAOYSA-N 1 0 376.420 3.541 20 30 GHEDRO COc1cccc(N2CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)c1 ZINC001139400046 1026270335 /nfs/dbraw/zinc/27/03/35/1026270335.db2.gz DEZKWXNAXMUXKS-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CC[N@@H+](C)C[C@@H]3c3ccccc3)nn2)cc1 ZINC001163669469 1026274627 /nfs/dbraw/zinc/27/46/27/1026274627.db2.gz RPGFURMYPNWGCF-FYYLOGMGSA-N 1 0 383.499 3.934 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)cc2)c1 ZINC001139402898 1026274691 /nfs/dbraw/zinc/27/46/91/1026274691.db2.gz AHZKFSHUVDKFIO-ISKFKSNPSA-N 1 0 389.499 3.780 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1=O ZINC001139404206 1026275315 /nfs/dbraw/zinc/27/53/15/1026275315.db2.gz WCZOZRUAFHSBPE-XMMPIXPASA-N 1 0 386.499 3.621 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3C[C@@H]4CN(Cc5ccccn5)C[C@H]4C3)cc2)c1 ZINC001139404020 1026275658 /nfs/dbraw/zinc/27/56/58/1026275658.db2.gz PHVBUOYTKNEPJZ-DHIUTWEWSA-N 1 0 395.510 3.579 20 30 GHEDRO COc1ccccc1CN1CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139407210 1026280264 /nfs/dbraw/zinc/28/02/64/1026280264.db2.gz UWNCSJFOONTPLF-UHFFFAOYSA-N 1 0 398.510 3.947 20 30 GHEDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139427945 1026297708 /nfs/dbraw/zinc/29/77/08/1026297708.db2.gz VVMGLKVAQMPLNN-UHFFFAOYSA-N 1 0 394.475 3.798 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001163827457 1026329468 /nfs/dbraw/zinc/32/94/68/1026329468.db2.gz TZJNTCXZLRVKQU-UHFFFAOYSA-N 1 0 387.462 3.867 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139527906 1026384485 /nfs/dbraw/zinc/38/44/85/1026384485.db2.gz JGBPDZOBOHQKOS-QFIPXVFZSA-N 1 0 393.506 3.953 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)cc1F ZINC001139528122 1026387359 /nfs/dbraw/zinc/38/73/59/1026387359.db2.gz MTXFWKHGTVEGFO-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OCC)c(Cl)c1)CC2 ZINC001139592989 1026456528 /nfs/dbraw/zinc/45/65/28/1026456528.db2.gz LVGKJDFGDFJUNF-UHFFFAOYSA-N 1 0 378.900 3.959 20 30 GHEDRO COCCC[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139650773 1026512182 /nfs/dbraw/zinc/51/21/82/1026512182.db2.gz VNUSWPQUQJUZOX-SFHVURJKSA-N 1 0 391.487 3.545 20 30 GHEDRO C[C@@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164477875 1026521888 /nfs/dbraw/zinc/52/18/88/1026521888.db2.gz STFRTDZZBXGVJG-OCCSQVGLSA-N 1 0 391.853 3.777 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CCC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c[nH]c21 ZINC001139700978 1026546144 /nfs/dbraw/zinc/54/61/44/1026546144.db2.gz CUFBWDAWUWQVHT-NZQKXSOJSA-N 1 0 388.471 3.637 20 30 GHEDRO Cc1cc(N2CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)n(-c2ccccc2)n1 ZINC001139707309 1026552061 /nfs/dbraw/zinc/55/20/61/1026552061.db2.gz WGDSTLXQMHRCJU-UHFFFAOYSA-N 1 0 396.498 3.856 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]12 ZINC001139707029 1026552811 /nfs/dbraw/zinc/55/28/11/1026552811.db2.gz FAIZGZYICWKHAD-ATZDWAIDSA-N 1 0 380.492 3.775 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@H]21 ZINC001139707421 1026552841 /nfs/dbraw/zinc/55/28/41/1026552841.db2.gz FAIZGZYICWKHAD-KFKAGJAMSA-N 1 0 380.492 3.775 20 30 GHEDRO COc1cccc(COc2ccc(C[NH2+]CCNc3ncccc3C#N)cc2)c1 ZINC001461115349 1069397951 /nfs/dbraw/zinc/39/79/51/1069397951.db2.gz RDSDGZAAAIBPCN-UHFFFAOYSA-N 1 0 388.471 3.743 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001164608581 1026566751 /nfs/dbraw/zinc/56/67/51/1026566751.db2.gz UPLDHZNSXAFPHL-CYBMUJFWSA-N 1 0 397.256 3.826 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165083746 1026595037 /nfs/dbraw/zinc/59/50/37/1026595037.db2.gz HSXSXKSZARQOAS-CRAIPNDOSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165088663 1026598773 /nfs/dbraw/zinc/59/87/73/1026598773.db2.gz SBRILKAKFVKFOY-GMAHTHKFSA-N 1 0 381.483 3.726 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165089229 1026598823 /nfs/dbraw/zinc/59/88/23/1026598823.db2.gz UDWZUXGYZNDCRJ-CRAIPNDOSA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc(-c3ccc(OC)cc3)s1)CC2 ZINC001139794131 1026617449 /nfs/dbraw/zinc/61/74/49/1026617449.db2.gz TWPNEKCSWCYTOR-UHFFFAOYSA-N 1 0 397.544 3.962 20 30 GHEDRO N#Cc1ncc(N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1C#N ZINC001165139106 1026630789 /nfs/dbraw/zinc/63/07/89/1026630789.db2.gz HLHGFMWPZBZUKE-NRFANRHFSA-N 1 0 394.482 3.501 20 30 GHEDRO C[NH+]1C[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@@H]2C1 ZINC001165153738 1026636398 /nfs/dbraw/zinc/63/63/98/1026636398.db2.gz SAHHKDIUOFZZJB-QWRGUYRKSA-N 1 0 397.256 3.956 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001165267454 1026685811 /nfs/dbraw/zinc/68/58/11/1026685811.db2.gz CPOKBAASGBBLJL-KRWDZBQOSA-N 1 0 381.518 3.821 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@@H]21 ZINC001139874883 1026691363 /nfs/dbraw/zinc/69/13/63/1026691363.db2.gz QBNUNVWDVQJRTL-AJSBUHFISA-N 1 0 378.495 3.825 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)C1=O ZINC001139876712 1026693871 /nfs/dbraw/zinc/69/38/71/1026693871.db2.gz KDGJHNWXNFBOAZ-OAQYLSRUSA-N 1 0 377.463 3.535 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165303942 1026697188 /nfs/dbraw/zinc/69/71/88/1026697188.db2.gz ANDNFXOZRGRJKU-MRXNPFEDSA-N 1 0 381.518 3.964 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCCC[C@@H]3C3CC[NH2+]CC3)nn2)cc1 ZINC001165319739 1026702363 /nfs/dbraw/zinc/70/23/63/1026702363.db2.gz KWPMTTNRJFMYNX-IFMALSPDSA-N 1 0 375.520 3.799 20 30 GHEDRO Cc1cc(C#N)c(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1C ZINC001165475729 1026737516 /nfs/dbraw/zinc/73/75/16/1026737516.db2.gz KYYSTLIGQMBFAC-IFMALSPDSA-N 1 0 380.467 3.758 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N(c3cccc(F)c3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c1-2 ZINC001165483836 1026744392 /nfs/dbraw/zinc/74/43/92/1026744392.db2.gz YMDPCPVNWYXNJG-PGRDOPGGSA-N 1 0 391.450 3.623 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001140017426 1026800270 /nfs/dbraw/zinc/80/02/70/1026800270.db2.gz CURVSLAMLOKWSW-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001140018349 1026801710 /nfs/dbraw/zinc/80/17/10/1026801710.db2.gz SENLQRZGAOYRQN-GOTSBHOMSA-N 1 0 379.504 3.717 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3cnc(-c4ccc(F)cc4)s3)CC2)nc1 ZINC001140095967 1026871878 /nfs/dbraw/zinc/87/18/78/1026871878.db2.gz KAQJTVCURJPZMR-UHFFFAOYSA-N 1 0 393.491 3.928 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001140099406 1026876701 /nfs/dbraw/zinc/87/67/01/1026876701.db2.gz FGPHWUPDTHYIJB-OALUTQOASA-N 1 0 396.325 3.728 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140115153 1026896791 /nfs/dbraw/zinc/89/67/91/1026896791.db2.gz OJZDXAATRKCONH-SJLPKXTDSA-N 1 0 380.492 3.728 20 30 GHEDRO Cc1ccc(N(c2cc(Cl)cc(C#N)n2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166313611 1026972030 /nfs/dbraw/zinc/97/20/30/1026972030.db2.gz GQGQTISEMSREEP-UHFFFAOYSA-N 1 0 390.878 3.863 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001141775308 1027210363 /nfs/dbraw/zinc/21/03/63/1027210363.db2.gz MOPFZKZLCBSFKO-JZWVFAODSA-N 1 0 391.515 3.741 20 30 GHEDRO CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1Nc1cncc(C#N)c1 ZINC001210089878 1027336838 /nfs/dbraw/zinc/33/68/38/1027336838.db2.gz XNGUZBLBLJRHSH-UHFFFAOYSA-N 1 0 396.491 3.984 20 30 GHEDRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cccc(OCc4ccccc4C#N)c3)O2)CO1 ZINC001203720894 1027554984 /nfs/dbraw/zinc/55/49/84/1027554984.db2.gz DMDVANQJYFMMMD-DKLXNKCPSA-N 1 0 392.499 3.953 20 30 GHEDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001203743820 1027564847 /nfs/dbraw/zinc/56/48/47/1027564847.db2.gz VOMKHQNRHNADLB-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(c3nc4ccc(Br)cn4n3)CC2)c1 ZINC001203758469 1027582284 /nfs/dbraw/zinc/58/22/84/1027582284.db2.gz ZFRQVMXYEUTJQP-UHFFFAOYSA-N 1 0 396.292 3.743 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCN(Cc2ccccc2F)CC1 ZINC001141900725 1027621452 /nfs/dbraw/zinc/62/14/52/1027621452.db2.gz DAXYDXZMRLELRP-UHFFFAOYSA-N 1 0 388.284 3.778 20 30 GHEDRO CN(Cc1cc(Br)ccc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141903158 1027627476 /nfs/dbraw/zinc/62/74/76/1027627476.db2.gz TVXOMURYTZDPNA-INIZCTEOSA-N 1 0 394.313 3.762 20 30 GHEDRO COc1ccc(COc2cc(C#N)cc(Nc3cnn(CC[NH+](C)C)c3)c2)cc1 ZINC001210808794 1027659029 /nfs/dbraw/zinc/65/90/29/1027659029.db2.gz OQVPLDCXOQLBDC-UHFFFAOYSA-N 1 0 391.475 3.648 20 30 GHEDRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2ccc(C#N)cc2)C3)n1 ZINC001203901955 1027694493 /nfs/dbraw/zinc/69/44/93/1027694493.db2.gz ULGLJBAIJVDPJS-RPWUZVMVSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C#N)cc3)O2)cs1 ZINC001203902086 1027695043 /nfs/dbraw/zinc/69/50/43/1027695043.db2.gz VYHPVNGMJYVHMM-NJDAHSKKSA-N 1 0 383.517 3.662 20 30 GHEDRO CSc1nc(C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)ccc1C#N ZINC001141936996 1027707242 /nfs/dbraw/zinc/70/72/42/1027707242.db2.gz JOAHFQRCBUMWCP-FQEVSTJZSA-N 1 0 398.557 3.756 20 30 GHEDRO CC(C)c1ccc(N2Cc3ccc(NC(=O)N[C@@H]4C[NH2+]C[C@H]4C#N)cc3C2)cc1 ZINC000841171066 1028242311 /nfs/dbraw/zinc/24/23/11/1028242311.db2.gz ORHSSFLQKZSMBQ-DENIHFKCSA-N 1 0 389.503 3.563 20 30 GHEDRO C=CCOC(=O)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2OC)c(F)c1 ZINC001213547835 1028256078 /nfs/dbraw/zinc/25/60/78/1028256078.db2.gz SICUIJQYJPGYHB-UHFFFAOYSA-N 1 0 399.466 3.673 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccc(C#N)cc1C(F)(F)F ZINC001213893467 1028434944 /nfs/dbraw/zinc/43/49/44/1028434944.db2.gz DYODJZJNSURFAP-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO N#CC1(CNC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCC1 ZINC000841613221 1028777139 /nfs/dbraw/zinc/77/71/39/1028777139.db2.gz XGSYTIQLKXBUBN-UHFFFAOYSA-N 1 0 397.523 3.707 20 30 GHEDRO C#CC[C@H](NC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1)c1ccccc1 ZINC000841821789 1028968315 /nfs/dbraw/zinc/96/83/15/1028968315.db2.gz YUYDEKHCXOVHGB-IBGZPJMESA-N 1 0 381.476 3.522 20 30 GHEDRO CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841830867 1028972017 /nfs/dbraw/zinc/97/20/17/1028972017.db2.gz NPLVJGZFQYNWLJ-JWTNVVGKSA-N 1 0 380.517 3.711 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1)c1ccccc1 ZINC001215082727 1029030135 /nfs/dbraw/zinc/03/01/35/1029030135.db2.gz OFTRXUROAVPKJX-HXUWFJFHSA-N 1 0 395.503 3.912 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC001461489789 1069573746 /nfs/dbraw/zinc/57/37/46/1069573746.db2.gz AUJJKMXYJFTHLJ-CHWSQXEVSA-N 1 0 377.337 3.606 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1C#N ZINC000842753129 1029562979 /nfs/dbraw/zinc/56/29/79/1029562979.db2.gz BTAJAZXKDDJOQI-UHFFFAOYSA-N 1 0 381.476 3.881 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001142911853 1029678519 /nfs/dbraw/zinc/67/85/19/1029678519.db2.gz LWJNZWNSXFDTJP-QFIPXVFZSA-N 1 0 378.476 3.650 20 30 GHEDRO N#CCc1nn(-c2ccccc2)c(Nc2c[nH+]cn2Cc2ccccc2)c1C#N ZINC001216551999 1029683434 /nfs/dbraw/zinc/68/34/34/1029683434.db2.gz GFCFLZAEYZQXHW-UHFFFAOYSA-N 1 0 379.427 3.798 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(C[C@H](Oc5cccnc5)CO4)CC3)c[nH]c2c1 ZINC001142915941 1029688456 /nfs/dbraw/zinc/68/84/56/1029688456.db2.gz JZKZXNIPMROOKM-FQEVSTJZSA-N 1 0 388.471 3.637 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@H]4[C@H](CCN4Cc4nccs4)C3)c[nH]c2c1 ZINC001142928596 1029709901 /nfs/dbraw/zinc/70/99/01/1029709901.db2.gz DKYPPSHKRPAMMX-UZLBHIALSA-N 1 0 377.517 3.592 20 30 GHEDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)c1 ZINC001142938357 1029718632 /nfs/dbraw/zinc/71/86/32/1029718632.db2.gz LPXMDYRUKKIUIR-DEOSSOPVSA-N 1 0 389.499 3.813 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001143026244 1029789366 /nfs/dbraw/zinc/78/93/66/1029789366.db2.gz VHZWMWWCDNBXIF-UHFFFAOYSA-N 1 0 389.543 3.885 20 30 GHEDRO N#Cc1ccc(F)c(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1F ZINC001143171051 1029880793 /nfs/dbraw/zinc/88/07/93/1029880793.db2.gz QCLOVIKPYAVELD-UHFFFAOYSA-N 1 0 382.458 3.720 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)C1=O ZINC001143170629 1029880944 /nfs/dbraw/zinc/88/09/44/1029880944.db2.gz JAJOXGSBASECBA-HSZRJFAPSA-N 1 0 395.453 3.983 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461604574 1069636091 /nfs/dbraw/zinc/63/60/91/1069636091.db2.gz FPUYEXZWGLXPCF-SLFFLAALSA-N 1 0 393.531 3.725 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3ccc(Cl)c(C#N)c3)n2)CC1 ZINC001216979174 1030048540 /nfs/dbraw/zinc/04/85/40/1030048540.db2.gz ZKDDGRWPKZYVDH-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+]1CCC(C)CC1 ZINC001217008637 1030080912 /nfs/dbraw/zinc/08/09/12/1030080912.db2.gz XYZKMCRDUDSUSD-CYBMUJFWSA-N 1 0 384.402 3.699 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nnc([C@@H]3C[C@@H]3c3ccc(Cl)cc3)o2)cc1 ZINC001217711666 1030622157 /nfs/dbraw/zinc/62/21/57/1030622157.db2.gz PYYFDSXNVLMTKS-IPMKNSEASA-N 1 0 378.863 3.978 20 30 GHEDRO C#C[C@@H](COc1cccc(C(F)(F)F)c1)OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217928090 1030674342 /nfs/dbraw/zinc/67/43/42/1030674342.db2.gz NGXARQCMOBTGQR-HKUYNNGSSA-N 1 0 397.437 3.651 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2CCCC[NH2+]C2)c1 ZINC001217970015 1030695611 /nfs/dbraw/zinc/69/56/11/1030695611.db2.gz GWNALNZOXCQMBZ-VEGGFIAOSA-N 1 0 397.471 3.826 20 30 GHEDRO COc1cc(O)cc(O[C@H]2C[NH2+]CCC[C@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001217979079 1030701423 /nfs/dbraw/zinc/70/14/23/1030701423.db2.gz DYYIQDMPTWABLC-AQFFIDQGSA-N 1 0 385.435 3.766 20 30 GHEDRO C[C@H](Oc1c(Br)cc(C#N)cc1Br)C1CC[NH2+]CC1 ZINC001218002112 1030716613 /nfs/dbraw/zinc/71/66/13/1030716613.db2.gz AVNBQUJIYKQLKN-VIFPVBQESA-N 1 0 388.103 3.850 20 30 GHEDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001218023210 1030728233 /nfs/dbraw/zinc/72/82/33/1030728233.db2.gz HNHJVVGYQCWYKI-TVQRCGJNSA-N 1 0 388.103 3.850 20 30 GHEDRO C#CCC1(NC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CCC1 ZINC001218042871 1030738818 /nfs/dbraw/zinc/73/88/18/1030738818.db2.gz XYEHNRQXLUVGFO-UHFFFAOYSA-N 1 0 375.900 3.881 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001218061246 1030749290 /nfs/dbraw/zinc/74/92/90/1030749290.db2.gz OWFHCZQAQCVUMB-XXZBLLBMSA-N 1 0 397.471 3.825 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@H]2CC[NH2+]C[C@@H]2F)c(OC)c1 ZINC001218069372 1030755021 /nfs/dbraw/zinc/75/50/21/1030755021.db2.gz IAEWCOLPODPGEK-YSOBTRATSA-N 1 0 391.483 3.896 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218117033 1030781658 /nfs/dbraw/zinc/78/16/58/1030781658.db2.gz BHWWVAXHTBENMC-HFIMWGCJSA-N 1 0 395.455 3.523 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001218134278 1030790386 /nfs/dbraw/zinc/79/03/86/1030790386.db2.gz LJIJJQCXOMPCLU-IJRJOVKXSA-N 1 0 393.483 3.977 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](CO/C(=N\O)c2cc(F)ccc2F)O1 ZINC001223889226 1030793322 /nfs/dbraw/zinc/79/33/22/1030793322.db2.gz AHCQWFXXDIGARN-BJUXRVGASA-N 1 0 390.430 3.797 20 30 GHEDRO CCCCC/C=C\C(=O)CCc1ccc(OC[C@H]2C[NH2+]CCO2)c(OC)c1 ZINC001218177816 1030807593 /nfs/dbraw/zinc/80/75/93/1030807593.db2.gz PHDKCQAZVBLFOB-WHXUGTBJSA-N 1 0 375.509 3.701 20 30 GHEDRO O[C@@H](C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1)C(F)(F)C(F)(F)F ZINC001461714006 1069695831 /nfs/dbraw/zinc/69/58/31/1069695831.db2.gz LPQMWWLVUWPOKO-JTQLQIEISA-N 1 0 388.308 3.736 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1 ZINC001218200799 1030821162 /nfs/dbraw/zinc/82/11/62/1030821162.db2.gz IYPGROXGMJJSTQ-WMZHIEFXSA-N 1 0 386.451 3.768 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)c2cc(Br)ccc2n1 ZINC001218201925 1030825140 /nfs/dbraw/zinc/82/51/40/1030825140.db2.gz WEXOANNZJXMKHS-OQPBUACISA-N 1 0 386.171 3.506 20 30 GHEDRO COc1cc(O[C@H]2CCC3(C[NH2+]C3)C2)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218238919 1030846152 /nfs/dbraw/zinc/84/61/52/1030846152.db2.gz SBOAZWSQIAWKGD-MRSBXDGLSA-N 1 0 379.456 3.818 20 30 GHEDRO N#CC1(NC(=O)c2cc3cc(Cl)cnc3[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001151308369 1030856322 /nfs/dbraw/zinc/85/63/22/1030856322.db2.gz ATTMRAISNBWRSO-UHFFFAOYSA-N 1 0 393.878 3.504 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3CC[C@@H](C)[NH2+]C3)cc2)cc1 ZINC001218407271 1030924995 /nfs/dbraw/zinc/92/49/95/1030924995.db2.gz OUDBKWXLMKEXCM-VQIMIIECSA-N 1 0 387.501 3.604 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001218407298 1030925096 /nfs/dbraw/zinc/92/50/96/1030925096.db2.gz OYMYHKXTLHTVGG-BLHUMJGQSA-N 1 0 397.471 3.825 20 30 GHEDRO C#C[C@@H](COc1cccc(Cl)c1)Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001218438282 1030937263 /nfs/dbraw/zinc/93/72/63/1030937263.db2.gz IQFOSWTWEWAIGV-FQEVSTJZSA-N 1 0 384.907 3.723 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(C)c(Br)cc1Br ZINC001218455224 1030943666 /nfs/dbraw/zinc/94/36/66/1030943666.db2.gz HEXHRPRUAIZKLY-CHWSQXEVSA-N 1 0 390.119 3.991 20 30 GHEDRO COc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218467229 1030948689 /nfs/dbraw/zinc/94/86/89/1030948689.db2.gz OSCPYCGZKGVWEB-JAQCKGSLSA-N 1 0 379.456 3.674 20 30 GHEDRO N#Cc1c(NC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)sc2c1CC[NH2+]C2 ZINC001218553479 1030983904 /nfs/dbraw/zinc/98/39/04/1030983904.db2.gz PWAVCNVWJREJTH-JOCHJYFZSA-N 1 0 395.528 3.672 20 30 GHEDRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC001461728317 1069706260 /nfs/dbraw/zinc/70/62/60/1069706260.db2.gz KUDVKFLCVSXHQV-ARNLJNQMSA-N 1 0 387.527 3.973 20 30 GHEDRO C#CCN(C(=O)NCC1(c2ccc(F)cc2)CCCCC1)C1CC[NH+](C)CC1 ZINC001224778464 1031116621 /nfs/dbraw/zinc/11/66/21/1031116621.db2.gz HFHCWJBBBNTTGL-UHFFFAOYSA-N 1 0 385.527 3.767 20 30 GHEDRO N#Cc1ccnc(N2CCC(OC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001224822283 1031137015 /nfs/dbraw/zinc/13/70/15/1031137015.db2.gz APTBFBDXXKWREE-JOCHJYFZSA-N 1 0 390.531 3.851 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c(F)c1F 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LYNXLSMIPFORMW-QGZVFWFLSA-N 1 0 390.987 3.524 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccnc(C#N)c1 ZINC001219695875 1031562389 /nfs/dbraw/zinc/56/23/89/1031562389.db2.gz YSGXJGJKODWHKE-UHFFFAOYSA-N 1 0 385.899 3.983 20 30 GHEDRO C[N@@H+](Cc1ccccc1Nc1ccnc(C#N)c1)C[C@H](O)c1ccc(Cl)cc1 ZINC001206649326 1031709956 /nfs/dbraw/zinc/70/99/56/1031709956.db2.gz VTFMSBJGURSRPM-QFIPXVFZSA-N 1 0 392.890 3.938 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c(C)cccc3Br)CC2)C1=O ZINC001276809280 1031710798 /nfs/dbraw/zinc/71/07/98/1031710798.db2.gz CGZBVUJNZWZVAU-HXUWFJFHSA-N 1 0 389.337 3.595 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cccc(-c3csc(N)n3)c2)C1 ZINC001226110179 1031792809 /nfs/dbraw/zinc/79/28/09/1031792809.db2.gz ODUADTCSSSFYNW-IBGZPJMESA-N 1 0 376.485 3.917 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc(Br)c(OC)cc2o1 ZINC001153916855 1031814824 /nfs/dbraw/zinc/81/48/24/1031814824.db2.gz DFIVXYBHPLYNDX-ZDUSSCGKSA-N 1 0 393.281 3.584 20 30 GHEDRO 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CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C2)C1 ZINC001232112784 1035101379 /nfs/dbraw/zinc/10/13/79/1035101379.db2.gz JYYGMXRUHBKMLA-INIZCTEOSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)cc1Cl ZINC001232113350 1035101390 /nfs/dbraw/zinc/10/13/90/1035101390.db2.gz SRNOOHFSEYGJTR-UHFFFAOYSA-N 1 0 383.879 3.933 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001160950524 1035103170 /nfs/dbraw/zinc/10/31/70/1035103170.db2.gz FEEZHRUIMZAGOG-UUOWRZLLSA-N 1 0 398.510 3.920 20 30 GHEDRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(C#N)c(Cl)c2)C[C@@H]2CCCO[C@H]12 ZINC001232114685 1035103761 /nfs/dbraw/zinc/10/37/61/1035103761.db2.gz RCNOUQISEKBTMU-BWAGFHJFSA-N 1 0 399.922 3.916 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208937986 1035104828 /nfs/dbraw/zinc/10/48/28/1035104828.db2.gz YWHINDIHAOISOR-CCDWMCETSA-N 1 0 398.591 3.972 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC001232114956 1035104885 /nfs/dbraw/zinc/10/48/85/1035104885.db2.gz ANNNBADWYHFTNV-IAGOWNOFSA-N 1 0 375.900 3.900 20 30 GHEDRO C=CCN(CC[NH+]1CCC(c2noc3ccc(F)cc32)CC1)C(=O)OCC ZINC001209022582 1035152096 /nfs/dbraw/zinc/15/20/96/1035152096.db2.gz NCFWCXDLRFNYMK-UHFFFAOYSA-N 1 0 375.444 3.791 20 30 GHEDRO [NH3+][C@@H](CC(=O)N1CCC(C#Cc2ccccc2)CC1)Cc1ccccc1Cl ZINC001161150195 1035159060 /nfs/dbraw/zinc/15/90/60/1035159060.db2.gz GEWRRGGXSFCVGN-OAQYLSRUSA-N 1 0 380.919 3.890 20 30 GHEDRO [NH3+][C@@H](Cc1cccc2ccccc21)C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161152612 1035160894 /nfs/dbraw/zinc/16/08/94/1035160894.db2.gz OOOZTVNWJVBTTR-VWLOTQADSA-N 1 0 382.507 4.000 20 30 GHEDRO COc1cc(C(F)(F)N[C@H]2CC[N@H+](CC3CCCC3)C2)c(C#N)c(Cl)n1 ZINC001161186815 1035170688 /nfs/dbraw/zinc/17/06/88/1035170688.db2.gz UPTSHYOYMPCHHC-ZDUSSCGKSA-N 1 0 384.858 3.519 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(C)c(Cl)cc3F)C2)C1=O ZINC001276620570 1035195861 /nfs/dbraw/zinc/19/58/61/1035195861.db2.gz JKEDGSDHUCXRQR-HXUWFJFHSA-N 1 0 378.875 3.705 20 30 GHEDRO C=CCCCC[NH+]1CCC(c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1 ZINC001209202150 1035206594 /nfs/dbraw/zinc/20/65/94/1035206594.db2.gz AGSGICBJKVWQKT-UHFFFAOYSA-N 1 0 389.521 3.676 20 30 GHEDRO Cc1cnc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)c(C#C[Si](C)(C)C)c1 ZINC001161366031 1035217709 /nfs/dbraw/zinc/21/77/09/1035217709.db2.gz RVSDKMLWDUPRND-WGSAOQKQSA-N 1 0 379.584 3.817 20 30 GHEDRO C#CC[C@H]([NH3+])C(=O)N([C@H](C)c1ccccc1)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001161604042 1035270762 /nfs/dbraw/zinc/27/07/62/1035270762.db2.gz LLWJBNHQPFNHCG-YJSIEXFISA-N 1 0 376.500 3.675 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@H](c2nn3cc(C(=O)OCC)nc3s2)C1 ZINC001209431639 1035273227 /nfs/dbraw/zinc/27/32/27/1035273227.db2.gz QYLHLTNUYQPDGV-HNNXBMFYSA-N 1 0 376.526 3.893 20 30 GHEDRO C=CCCCCCC[N@@H+]1CCCO[C@@]2(COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001209436818 1035273975 /nfs/dbraw/zinc/27/39/75/1035273975.db2.gz ZFWNTOISUCCEEU-QFIPXVFZSA-N 1 0 396.572 3.851 20 30 GHEDRO C=CCCCCCCC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCCO3)[C@@H]2C1 ZINC001209439406 1035274427 /nfs/dbraw/zinc/27/44/27/1035274427.db2.gz OKBVAJYHERFBNI-NJYVYQBISA-N 1 0 378.557 3.652 20 30 GHEDRO C=CCCCCCC[N@H+]1CCC[C@@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 ZINC001209440686 1035274581 /nfs/dbraw/zinc/27/45/81/1035274581.db2.gz OAJNAYRNSXROFD-QZTJIDSGSA-N 1 0 382.545 3.901 20 30 GHEDRO C=CCCCCCCC[N@@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001209441619 1035275292 /nfs/dbraw/zinc/27/52/92/1035275292.db2.gz JVKQDLIPJHQZJJ-BHDDXSALSA-N 1 0 385.552 3.561 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)c(O)c(OC)c1)CC2 ZINC001209521763 1035301735 /nfs/dbraw/zinc/30/17/35/1035301735.db2.gz QBLOETIXUZPQBL-UHFFFAOYSA-N 1 0 392.471 3.541 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c4ccccc4nn3C)C2)CC1 ZINC001209538578 1035308296 /nfs/dbraw/zinc/30/82/96/1035308296.db2.gz VONMJRWDDNTRMB-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#CC1(c2ccc(NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)nc2)CCOCC1 ZINC001161886162 1035322248 /nfs/dbraw/zinc/32/22/48/1035322248.db2.gz VCQDEYXLFRQTND-NRFANRHFSA-N 1 0 376.504 3.730 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1F ZINC001462000638 1069937043 /nfs/dbraw/zinc/93/70/43/1069937043.db2.gz RQNLQHIBBCBECJ-KRWDZBQOSA-N 1 0 378.234 3.899 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)cc1 ZINC001248156243 1035583282 /nfs/dbraw/zinc/58/32/82/1035583282.db2.gz PXPUDAJTCLDDDX-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO COc1ccc2cccc(-c3noc(C[C@@H]([NH3+])Cc4ccc(C#N)cc4)n3)c2c1 ZINC001248159457 1035587467 /nfs/dbraw/zinc/58/74/67/1035587467.db2.gz MRYHBRNANOSAQS-SFHVURJKSA-N 1 0 384.439 3.883 20 30 GHEDRO COc1ccc2c(cccc2-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)c1 ZINC001248180589 1035609432 /nfs/dbraw/zinc/60/94/32/1035609432.db2.gz HUQWLWVJIJKKRT-SFHVURJKSA-N 1 0 384.439 3.883 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2cccc([C@H](C#N)C(=O)OC(C)(C)C)n2)cc1 ZINC001242148727 1035832557 /nfs/dbraw/zinc/83/25/57/1035832557.db2.gz OOAUKCYEGHQEPN-SFHVURJKSA-N 1 0 381.476 3.638 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2ncc(F)c(Oc3cccc(C#N)c3)n2)cc1 ZINC001242149701 1035833481 /nfs/dbraw/zinc/83/34/81/1035833481.db2.gz WKFJNZMVEUFGIP-UHFFFAOYSA-N 1 0 378.407 3.887 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cscc1Cl ZINC001248745568 1036102550 /nfs/dbraw/zinc/10/25/50/1036102550.db2.gz FLPRCBGYDNODSH-UHFFFAOYSA-N 1 0 376.913 3.547 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC001248750449 1036108719 /nfs/dbraw/zinc/10/87/19/1036108719.db2.gz KFDBBTQXKUYRGP-HSZRJFAPSA-N 1 0 387.527 3.959 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(OC)c1F)[C@@H]2CC ZINC001248754280 1036113126 /nfs/dbraw/zinc/11/31/26/1036113126.db2.gz QHUIDUINQOASAV-GCJKJVERSA-N 1 0 390.499 3.765 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Br)cnc1C)C2 ZINC001248779542 1036140073 /nfs/dbraw/zinc/14/00/73/1036140073.db2.gz ODIBETHSDCKTKW-RTBURBONSA-N 1 0 395.341 3.726 20 30 GHEDRO COc1cc2cc(C#N)c(-c3cccc(OCC[NH+](C)C)c3)nc2cc1OC ZINC001243750282 1036268266 /nfs/dbraw/zinc/26/82/66/1036268266.db2.gz QQELBKJGBBNLCE-UHFFFAOYSA-N 1 0 377.444 3.731 20 30 GHEDRO N#Cc1cc(-c2ccc(OC(F)(F)F)c(CO)c2)ccc1OC1CC[NH2+]CC1 ZINC001244647174 1036583211 /nfs/dbraw/zinc/58/32/11/1036583211.db2.gz IYJTZTPYPHJNOM-UHFFFAOYSA-N 1 0 392.377 3.747 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1 ZINC001245772095 1036993584 /nfs/dbraw/zinc/99/35/84/1036993584.db2.gz LBVBCYPTIBHXPR-ZIAGYGMSSA-N 1 0 382.455 3.547 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC001245809982 1037008271 /nfs/dbraw/zinc/00/82/71/1037008271.db2.gz GXZDYANUCIEEBA-BLLLJJGKSA-N 1 0 384.471 3.982 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)Nc2ccc(C#N)cc2)cc1 ZINC001245921674 1037058644 /nfs/dbraw/zinc/05/86/44/1037058644.db2.gz DFKXCJLAPPTHKJ-UHFFFAOYSA-N 1 0 396.516 3.866 20 30 GHEDRO COc1ccccc1C[NH+]1CCC(NC(=S)Nc2ccc(C#N)cc2)CC1 ZINC001245935842 1037066256 /nfs/dbraw/zinc/06/62/56/1037066256.db2.gz YXLRNRLPUOOKQS-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001245938854 1037068578 /nfs/dbraw/zinc/06/85/78/1037068578.db2.gz ZEUVCMFYQQRSQD-SESVDKBCSA-N 1 0 376.529 3.755 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246001654 1037121375 /nfs/dbraw/zinc/12/13/75/1037121375.db2.gz SUZRVHCGYMKDMP-WBADGQHESA-N 1 0 398.632 3.784 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[N@@H+]1CCCO[C@]2(CNCCOC2)C1 ZINC001246034543 1037151578 /nfs/dbraw/zinc/15/15/78/1037151578.db2.gz QGDPWVIQACRPSK-DHIUTWEWSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@]2(CN(C(=O)Cc3ccsc3)CCO2)C1 ZINC001278435286 1037231084 /nfs/dbraw/zinc/23/10/84/1037231084.db2.gz MEAMEZFFAUUISL-OAQYLSRUSA-N 1 0 378.582 3.954 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246314623 1037292256 /nfs/dbraw/zinc/29/22/56/1037292256.db2.gz XTKZLVQKEGMCNK-ACJLOTCBSA-N 1 0 388.886 3.756 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246481858 1037428266 /nfs/dbraw/zinc/42/82/66/1037428266.db2.gz JBLKGIGGRPIDDX-UYAOXDASSA-N 1 0 388.552 3.624 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@@H]1CC[NH2+][C@@H](CCCC)C1)CC2 ZINC001246525800 1037456842 /nfs/dbraw/zinc/45/68/42/1037456842.db2.gz LHQPCKKCKMTCSE-VQTJNVASSA-N 1 0 377.573 3.798 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCN[C@@H](c4ccccc4)C3)C2)CC1 ZINC001246527785 1037461679 /nfs/dbraw/zinc/46/16/79/1037461679.db2.gz WQEZOBIXJTXNKX-FCHUYYIVSA-N 1 0 397.563 3.980 20 30 GHEDRO COC(=O)c1ccc([C@H](N)C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001246528781 1037463658 /nfs/dbraw/zinc/46/36/58/1037463658.db2.gz YHEBHHLFPFSCSU-FQUBMZHMSA-N 1 0 377.488 3.661 20 30 GHEDRO C=CCCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC001246655477 1037528454 /nfs/dbraw/zinc/52/84/54/1037528454.db2.gz VXOVLBMPSQSDFD-PKTZIBPZSA-N 1 0 398.595 3.894 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)N1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001246806394 1037640495 /nfs/dbraw/zinc/64/04/95/1037640495.db2.gz MNDLAPCSLFTNAI-MGPUTAFESA-N 1 0 384.321 3.898 20 30 GHEDRO N#Cc1ccc(-c2noc([C@H](c3ccco3)N3CCC[NH2+]CC3)n2)c2ccccc12 ZINC001247337493 1038136386 /nfs/dbraw/zinc/13/63/86/1038136386.db2.gz TVCXBHRIOODFQL-NRFANRHFSA-N 1 0 399.454 3.739 20 30 GHEDRO C=CCCNC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001247644521 1038287704 /nfs/dbraw/zinc/28/77/04/1038287704.db2.gz VASMIKGMQNAMRA-UHFFFAOYSA-N 1 0 380.561 3.871 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC001232548644 1038314552 /nfs/dbraw/zinc/31/45/52/1038314552.db2.gz VDVHLXRSGWRXSF-UHFFFAOYSA-N 1 0 396.292 3.729 20 30 GHEDRO C=CC[C@H](N)c1nc(-c2cc(Cl)ccc2I)no1 ZINC001247963677 1038517590 /nfs/dbraw/zinc/51/75/90/1038517590.db2.gz SLJNKLVEYJONGU-JTQLQIEISA-N 1 0 375.597 3.571 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001232890509 1038675174 /nfs/dbraw/zinc/67/51/74/1038675174.db2.gz GWDMMEYUYOEXGE-XZOQPEGZSA-N 1 0 395.478 3.680 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)(F)F ZINC001277734766 1038710933 /nfs/dbraw/zinc/71/09/33/1038710933.db2.gz MGRHRVZMGSSLCA-GVDBMIGSSA-N 1 0 378.479 3.726 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC001232923235 1038712492 /nfs/dbraw/zinc/71/24/92/1038712492.db2.gz SLPCBWDPIMZLRE-QZTJIDSGSA-N 1 0 384.524 3.812 20 30 GHEDRO COc1ccc([C@@H](C[N@H+](C)Cc2cccc(C#N)n2)C2(O)CCCCC2)cc1 ZINC001232926565 1038713794 /nfs/dbraw/zinc/71/37/94/1038713794.db2.gz TZOZQFVLXGTFAZ-JOCHJYFZSA-N 1 0 379.504 3.873 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc(OC)c3ccccc13)C2 ZINC001232948844 1038725949 /nfs/dbraw/zinc/72/59/49/1038725949.db2.gz LEONWCKPBKJNGV-FYYLOGMGSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(O)cc(Br)c1)C2 ZINC001232996289 1038757134 /nfs/dbraw/zinc/75/71/34/1038757134.db2.gz LNCLQEGFVISJOT-MOPGFXCFSA-N 1 0 396.325 3.728 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC001233080710 1038848837 /nfs/dbraw/zinc/84/88/37/1038848837.db2.gz AOGPFQVUAJBCTN-UHFFFAOYSA-N 1 0 393.531 3.980 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001233081768 1038852589 /nfs/dbraw/zinc/85/25/89/1038852589.db2.gz OUUPOPKZWMLEPW-WWNPGLIZSA-N 1 0 379.504 3.571 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001252128753 1038881007 /nfs/dbraw/zinc/88/10/07/1038881007.db2.gz QGYIKWWHCUXBNN-OTWHNJEPSA-N 1 0 393.597 3.649 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001252130730 1038882717 /nfs/dbraw/zinc/88/27/17/1038882717.db2.gz XHNXTQQVZKFEIJ-MRXNPFEDSA-N 1 0 388.478 3.729 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001252134050 1038884854 /nfs/dbraw/zinc/88/48/54/1038884854.db2.gz UMFFJMNPHLCEKW-FPOVZHCZSA-N 1 0 376.541 3.740 20 30 GHEDRO CCCCCCCC[C@H](O)CNc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001252134133 1038885079 /nfs/dbraw/zinc/88/50/79/1038885079.db2.gz VSIDZINUHQQLCZ-FQEVSTJZSA-N 1 0 377.573 3.970 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001252137204 1038888341 /nfs/dbraw/zinc/88/83/41/1038888341.db2.gz WHWWABGDTNBVRC-XQBPLPMBSA-N 1 0 398.588 3.856 20 30 GHEDRO C[C@@](O)(C[N@@H+]1CCC2(CCCC2)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252322348 1038941417 /nfs/dbraw/zinc/94/14/17/1038941417.db2.gz YEVPINJTPMNHCG-GOSISDBHSA-N 1 0 395.425 3.533 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)c3ccc(F)cc32)CC1 ZINC001252550786 1039030029 /nfs/dbraw/zinc/03/00/29/1039030029.db2.gz QJIFHLXILCXUGO-OAQYLSRUSA-N 1 0 390.499 3.851 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001252577371 1039036777 /nfs/dbraw/zinc/03/67/77/1039036777.db2.gz ZQWAISIEJXHEEV-KNQAVFIVSA-N 1 0 386.536 3.927 20 30 GHEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001252597470 1039043111 /nfs/dbraw/zinc/04/31/11/1039043111.db2.gz ZOPIZTQFWKLDDJ-QNWVGRARSA-N 1 0 396.556 3.898 20 30 GHEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(C(=O)Nc2ccnc3[nH]ccc32)cc1 ZINC001252619397 1039050060 /nfs/dbraw/zinc/05/00/60/1039050060.db2.gz DKBQCFLWNPYNJL-QAPCUYQASA-N 1 0 378.476 3.745 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC001233288350 1039068719 /nfs/dbraw/zinc/06/87/19/1039068719.db2.gz HWYGJOQCEXEETQ-AZUAARDMSA-N 1 0 381.900 3.628 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(NC[C@@H](O)COc3ccc(C(C)(C)C)cc3)sc2C1 ZINC001252747393 1039127336 /nfs/dbraw/zinc/12/73/36/1039127336.db2.gz QDRYNOJNSDAXSE-MRXNPFEDSA-N 1 0 399.560 3.757 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(NC[C@H](O)COc3ccc(C(C)(C)C)cc3)sc2C1 ZINC001252747390 1039127811 /nfs/dbraw/zinc/12/78/11/1039127811.db2.gz QDRYNOJNSDAXSE-INIZCTEOSA-N 1 0 399.560 3.757 20 30 GHEDRO N#Cc1c(Cl)ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC001252942288 1039285554 /nfs/dbraw/zinc/28/55/54/1039285554.db2.gz URUKZJMMWGZQPV-LJQANCHMSA-N 1 0 376.287 3.914 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001252982766 1039310997 /nfs/dbraw/zinc/31/09/97/1039310997.db2.gz LWTDDKMXRNFNKG-YADHBBJMSA-N 1 0 396.616 3.885 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001252988230 1039314499 /nfs/dbraw/zinc/31/44/99/1039314499.db2.gz CCPAYDALSPPNOK-RTWAWAEBSA-N 1 0 375.557 3.777 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCCn2cnc(CNC(C)=O)c2C1 ZINC001252985439 1039314854 /nfs/dbraw/zinc/31/48/54/1039314854.db2.gz NQFHGVHCBPDMKY-FQEVSTJZSA-N 1 0 392.588 3.617 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001253238787 1039496768 /nfs/dbraw/zinc/49/67/68/1039496768.db2.gz HOHLCYNBJLEQQM-PVSGBFIBSA-N 1 0 399.579 3.915 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001253246898 1039502117 /nfs/dbraw/zinc/50/21/17/1039502117.db2.gz DIJMKKRIEBSXDE-IPJJNNNSSA-N 1 0 396.572 3.632 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CC1(c2ncccc2OC)CCOCC1 ZINC001253254803 1039505427 /nfs/dbraw/zinc/50/54/27/1039505427.db2.gz SWBQZCGWBBLRTG-IBGZPJMESA-N 1 0 376.541 3.616 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@@H](Oc2cnc(F)c(Br)c2)C1 ZINC001233668936 1039524175 /nfs/dbraw/zinc/52/41/75/1039524175.db2.gz BEQDPKDZKHXZKE-CQSZACIVSA-N 1 0 376.229 3.508 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001233704054 1039552036 /nfs/dbraw/zinc/55/20/36/1039552036.db2.gz JGNLOAITAAOVSE-QGZVFWFLSA-N 1 0 382.480 3.873 20 30 GHEDRO C=C[C@H](O)C[N@@H+](Cc1ccc(C)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587857 1039710826 /nfs/dbraw/zinc/71/08/26/1039710826.db2.gz PHUWHZSPDCBMDL-IBGZPJMESA-N 1 0 392.515 3.883 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588493 1039711673 /nfs/dbraw/zinc/71/16/73/1039711673.db2.gz WQICSYPZZLUJDZ-RTBURBONSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1ccccc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588663 1039712261 /nfs/dbraw/zinc/71/22/61/1039712261.db2.gz ZJNODYDOUHROBO-ROUUACIJSA-N 1 0 378.488 3.574 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C)cc21 ZINC001253599638 1039717171 /nfs/dbraw/zinc/71/71/71/1039717171.db2.gz RBYFVDSQBOBFQG-XLIONFOSSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(F)(F)F ZINC001253609076 1039720377 /nfs/dbraw/zinc/72/03/77/1039720377.db2.gz PHBOZPAFXSPSLR-CYBMUJFWSA-N 1 0 376.375 3.569 20 30 GHEDRO C=C[C@H](O)C[NH2+]CC1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253609168 1039720495 /nfs/dbraw/zinc/72/04/95/1039720495.db2.gz JVUOETAOUFDQPT-SFHVURJKSA-N 1 0 394.943 3.745 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCc1ncc[nH]1 ZINC001253614514 1039724716 /nfs/dbraw/zinc/72/47/16/1039724716.db2.gz QFHCIYZGSYTSFL-NRFANRHFSA-N 1 0 397.604 3.857 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1cc[nH]n1 ZINC001253614437 1039724974 /nfs/dbraw/zinc/72/49/74/1039724974.db2.gz ONXRVOAYVSHFEN-OAQYLSRUSA-N 1 0 383.577 3.814 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3c[nH]c(=O)c4ccccc34)C2)CC1 ZINC001233963671 1039731596 /nfs/dbraw/zinc/73/15/96/1039731596.db2.gz CGQCFWNYVBNOOC-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO COC(=O)C1(C#N)CCN(Cc2ccc(N(C)c3ccccc3F)cc2)CC1 ZINC001234251760 1039940098 /nfs/dbraw/zinc/94/00/98/1039940098.db2.gz RYPDBJBQIMIQJL-UHFFFAOYSA-N 1 0 381.451 3.872 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H](CO)COCc2ccccc2)CC1 ZINC001254348296 1040181498 /nfs/dbraw/zinc/18/14/98/1040181498.db2.gz GYUCZZXSKXYZLP-KOENEWCDSA-N 1 0 382.479 3.697 20 30 GHEDRO COC(=O)c1cccc(C(=[NH2+])NC2CCC(C#N)(c3ccc(F)cc3)CC2)c1 ZINC001254350219 1040182935 /nfs/dbraw/zinc/18/29/35/1040182935.db2.gz XMAGUDWMCFOYMV-UHFFFAOYSA-N 1 0 379.435 3.931 20 30 GHEDRO CCOC[C@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)Cc2cn(C)nc21 ZINC001254355517 1040188150 /nfs/dbraw/zinc/18/81/50/1040188150.db2.gz UXUYLBCTWKIZEK-FBHNJWQJSA-N 1 0 396.510 3.899 20 30 GHEDRO CC[NH+](CC)C[C@H](C)Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001234716858 1040248282 /nfs/dbraw/zinc/24/82/82/1040248282.db2.gz SCHYTWIEGDLLSO-ADFUCPMPSA-N 1 0 397.471 3.866 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](C4CCc5ccccc5CC4)C3)CC2=O)c1 ZINC001254460618 1040249194 /nfs/dbraw/zinc/24/91/94/1040249194.db2.gz MULVAVGHOGNVCV-VWLOTQADSA-N 1 0 385.511 3.935 20 30 GHEDRO C[N@@H+]1CCC[C@H](N2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001254524716 1040298599 /nfs/dbraw/zinc/29/85/99/1040298599.db2.gz YXXPTEOTUBXASL-SFHVURJKSA-N 1 0 376.342 3.791 20 30 GHEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001254534654 1040305770 /nfs/dbraw/zinc/30/57/70/1040305770.db2.gz AFXLATNSYDXBQP-KRWDZBQOSA-N 1 0 378.476 3.652 20 30 GHEDRO C=CCO[C@H]1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559012 1040329980 /nfs/dbraw/zinc/32/99/80/1040329980.db2.gz XSCNAKXMMSMAPB-CJNGLKHVSA-N 1 0 375.469 3.553 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)C2 ZINC001254625513 1040400709 /nfs/dbraw/zinc/40/07/09/1040400709.db2.gz HSQFYYKFXKJKFR-DHIUTWEWSA-N 1 0 388.527 3.868 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(Cc2ccccn2)([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254648944 1040418436 /nfs/dbraw/zinc/41/84/36/1040418436.db2.gz PHEOSQZWQZIUJI-ROUUACIJSA-N 1 0 384.524 3.676 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)(c2cccnc2)CC1 ZINC001254649619 1040418538 /nfs/dbraw/zinc/41/85/38/1040418538.db2.gz UTPIUAXDCOLTJD-IEBWSBKVSA-N 1 0 384.524 3.632 20 30 GHEDRO COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC1)C2 ZINC001254669906 1040428989 /nfs/dbraw/zinc/42/89/89/1040428989.db2.gz WUCCRXQGJZTUEI-QRQLOZEOSA-N 1 0 382.504 3.853 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4C[C@]4([NH3+])C3)c2)cc1 ZINC001235151275 1040643263 /nfs/dbraw/zinc/64/32/63/1040643263.db2.gz FMRNHQJBJRJQAR-KXBFYZLASA-N 1 0 384.277 3.646 20 30 GHEDRO CC(C)(C)OC(=O)NCC1(C[NH2+]C2CCN(c3ccccc3C#N)CC2)CCC1 ZINC001462483232 1070292270 /nfs/dbraw/zinc/29/22/70/1070292270.db2.gz HQIMNPNRXGATOK-UHFFFAOYSA-N 1 0 398.551 3.812 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccccc3F)CC1)C2 ZINC001255219859 1040911658 /nfs/dbraw/zinc/91/16/58/1040911658.db2.gz YIQJBFGOBANFQY-BCDXTJNWSA-N 1 0 385.483 3.835 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3cccc(C#N)c3)CC1)C2 ZINC001255246386 1040924613 /nfs/dbraw/zinc/92/46/13/1040924613.db2.gz NWTHBKMBERMDJP-WKCHPHFGSA-N 1 0 396.535 3.611 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(CCC(F)(F)F)C3=O)CC2)s1 ZINC001277944633 1040929064 /nfs/dbraw/zinc/92/90/64/1040929064.db2.gz VRPREUNJTAHBGS-QGZVFWFLSA-N 1 0 385.455 3.777 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@H]3CCOC(C)(C)C3)c3ccccc32)cc1 ZINC001255535501 1041116222 /nfs/dbraw/zinc/11/62/22/1041116222.db2.gz NVBQDINFERLPFS-KRWDZBQOSA-N 1 0 392.503 3.756 20 30 GHEDRO COC(=O)c1c(C[N@H+](C)CCc2cccc(C#N)c2)c2cc(F)ccc2n1C ZINC001462520734 1070325381 /nfs/dbraw/zinc/32/53/81/1070325381.db2.gz QZCCMLAGJZXHBU-UHFFFAOYSA-N 1 0 379.435 3.650 20 30 GHEDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(Br)c(C#N)c3)C2)C1=O ZINC001277973643 1041305137 /nfs/dbraw/zinc/30/51/37/1041305137.db2.gz HDYZVIVENDAOBR-IBGZPJMESA-N 1 0 390.325 3.545 20 30 GHEDRO C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001255845195 1041338385 /nfs/dbraw/zinc/33/83/85/1041338385.db2.gz GHKPDHNMJHHYFI-GAJHUEQPSA-N 1 0 377.463 3.757 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cnc(Br)c(C)c1)C2 ZINC001235824214 1041343531 /nfs/dbraw/zinc/34/35/31/1041343531.db2.gz QOTSSZOEKDKFPK-IEBWSBKVSA-N 1 0 395.341 3.726 20 30 GHEDRO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001255873388 1041367563 /nfs/dbraw/zinc/36/75/63/1041367563.db2.gz PUFXYFAFMHCOLX-GAJHUEQPSA-N 1 0 377.463 3.757 20 30 GHEDRO COc1ccccc1C1([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 ZINC001256238357 1041671425 /nfs/dbraw/zinc/67/14/25/1041671425.db2.gz MDVNWVLWLVXOAG-HXUWFJFHSA-N 1 0 375.472 3.731 20 30 GHEDRO Cc1cc(F)ccc1CN(Cc1ccc(N(C)C)c(C#N)c1F)C1CC[NH2+]CC1 ZINC001236520780 1041751626 /nfs/dbraw/zinc/75/16/26/1041751626.db2.gz FWJQBOXNMPVJAL-UHFFFAOYSA-N 1 0 398.501 3.965 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236719757 1041854529 /nfs/dbraw/zinc/85/45/29/1041854529.db2.gz ZJDNBERABNQEEW-FQEVSTJZSA-N 1 0 382.426 3.960 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(O)cc(OC)cc3Cl)C2)C1 ZINC001236796916 1041900504 /nfs/dbraw/zinc/90/05/04/1041900504.db2.gz AKZBEYRMLSNEJB-FQEVSTJZSA-N 1 0 394.899 3.665 20 30 GHEDRO COc1cc(CN2CC[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)ccc1C#N ZINC001236817925 1041914847 /nfs/dbraw/zinc/91/48/47/1041914847.db2.gz FCTVMNNWAMZWGM-SFHVURJKSA-N 1 0 375.394 3.732 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc4sccc4nc3Cl)C2)C1=O ZINC001236862543 1041932926 /nfs/dbraw/zinc/93/29/26/1041932926.db2.gz ALJDBPZIPPLVAL-LJQANCHMSA-N 1 0 375.925 3.950 20 30 GHEDRO CN1CCN(c2cc(C[NH+]3CCC(c4cccc(C#N)c4)CC3)ccc2F)CC1 ZINC001236963399 1041971385 /nfs/dbraw/zinc/97/13/85/1041971385.db2.gz KCDANCYTHXKHPA-UHFFFAOYSA-N 1 0 392.522 3.829 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(F)c(N3CCCC3)c1)C2 ZINC001237086317 1042029005 /nfs/dbraw/zinc/02/90/05/1042029005.db2.gz APUWWFXPQFEIJS-PKTZIBPZSA-N 1 0 388.527 4.000 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001237237629 1042101159 /nfs/dbraw/zinc/10/11/59/1042101159.db2.gz WUJTZJQMNSITSX-UHFFFAOYSA-N 1 0 388.490 3.941 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccccc1NC(=O)C(C)(C)C)CC2 ZINC001237392433 1042186380 /nfs/dbraw/zinc/18/63/80/1042186380.db2.gz HDVLWWULHMXBDN-UHFFFAOYSA-N 1 0 383.536 3.814 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1NC(=O)C(C)(C)C)CC2 ZINC001237397236 1042189449 /nfs/dbraw/zinc/18/94/49/1042189449.db2.gz TVSHRQXEQILREE-UHFFFAOYSA-N 1 0 399.535 3.892 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c2cc(C#N)ccc21 ZINC001237466990 1042219641 /nfs/dbraw/zinc/21/96/41/1042219641.db2.gz QFOQZYVDTWUVPT-GOSISDBHSA-N 1 0 382.508 3.929 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c2cc(C#N)ccc21 ZINC001237467982 1042220183 /nfs/dbraw/zinc/22/01/83/1042220183.db2.gz JEZQROOECRGPIR-IEZWGBDMSA-N 1 0 380.492 3.537 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c2cc(C#N)ccc21 ZINC001237467644 1042220421 /nfs/dbraw/zinc/22/04/21/1042220421.db2.gz DQAJCRXCGKAPFQ-FXAWDEMLSA-N 1 0 391.544 3.603 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)c(F)cc1F ZINC001237527100 1042252142 /nfs/dbraw/zinc/25/21/42/1042252142.db2.gz JHEJCBDVMBJQAH-UHFFFAOYSA-N 1 0 387.474 3.841 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001237552651 1042261643 /nfs/dbraw/zinc/26/16/43/1042261643.db2.gz IFATYSFPWLWVRW-UHFFFAOYSA-N 1 0 396.601 3.892 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(F)c(OC)ccc1OC)[C@H]2CC ZINC001237575998 1042268478 /nfs/dbraw/zinc/26/84/78/1042268478.db2.gz RUZXLBTYQGDCAM-UGKGYDQZSA-N 1 0 390.499 3.765 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]2C1 ZINC001237751708 1042353595 /nfs/dbraw/zinc/35/35/95/1042353595.db2.gz PCWXJDXUZQEMLY-DLBZAZTESA-N 1 0 375.900 3.900 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccc(-c3ccccn3)n1)C2 ZINC001237834903 1042393053 /nfs/dbraw/zinc/39/30/53/1042393053.db2.gz TUVWSISDMQSSSM-XZOQPEGZSA-N 1 0 379.504 3.717 20 30 GHEDRO C#CC[N@@H+](Cc1c[nH]c2ncc(Br)nc12)[C@@H]1CCc2ccccc21 ZINC001237853111 1042396162 /nfs/dbraw/zinc/39/61/62/1042396162.db2.gz WLHUHQNSQPBBPH-MRXNPFEDSA-N 1 0 381.277 3.843 20 30 GHEDRO CC(C)C1=[NH+]CCc2ccc(CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 ZINC001237880150 1042407343 /nfs/dbraw/zinc/40/73/43/1042407343.db2.gz DDLAAXWIDLIJPZ-IBGZPJMESA-N 1 0 396.535 3.633 20 30 GHEDRO CCOC(=O)COc1cccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001237911918 1042419823 /nfs/dbraw/zinc/41/98/23/1042419823.db2.gz AAPSHXAWZUOSNV-QFIPXVFZSA-N 1 0 394.471 3.544 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1[nH]nc3cc(Cl)ccc31)C2 ZINC001237998753 1042452105 /nfs/dbraw/zinc/45/21/05/1042452105.db2.gz WXYYIMTYAZLIMX-VQTJNVASSA-N 1 0 375.900 3.790 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c(Cl)c1 ZINC001238081775 1042484982 /nfs/dbraw/zinc/48/49/82/1042484982.db2.gz DDIPOMAHGYCCBL-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]12 ZINC001238082878 1042485342 /nfs/dbraw/zinc/48/53/42/1042485342.db2.gz MWABIRBODABCNQ-DHIUTWEWSA-N 1 0 393.918 3.976 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)ccc1Cl ZINC001238189903 1042514251 /nfs/dbraw/zinc/51/42/51/1042514251.db2.gz AFZICQUMJQLXRC-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)c(C#N)c3)CC2)cc1 ZINC001238196562 1042516046 /nfs/dbraw/zinc/51/60/46/1042516046.db2.gz SYISQDVGXBCEFK-UHFFFAOYSA-N 1 0 393.878 3.869 20 30 GHEDRO COc1cc(C[NH+]2CCC(NC(=O)Nc3cccc(C)c3)CC2)ccc1C#N ZINC001238416714 1042588729 /nfs/dbraw/zinc/58/87/29/1042588729.db2.gz RFGUVOPSONXUJJ-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO CCc1cc(C[N@@H+]2CCO[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)ccc1C#N ZINC001238760352 1042717474 /nfs/dbraw/zinc/71/74/74/1042717474.db2.gz IDYSMORIELEVQY-NHCUHLMSSA-N 1 0 399.535 3.578 20 30 GHEDRO CCc1cc(CN2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)ccc1C#N ZINC001238776032 1042723346 /nfs/dbraw/zinc/72/33/46/1042723346.db2.gz SETDGYJMWVQDFC-LADGPHEKSA-N 1 0 391.515 3.966 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001238849085 1042741662 /nfs/dbraw/zinc/74/16/62/1042741662.db2.gz ATWCGWQIGMWSCR-UHFFFAOYSA-N 1 0 396.597 3.596 20 30 GHEDRO CCCCCCCNC(=S)NC1(Cc2cccc(OC)c2)CC[NH2+]CC1 ZINC001239383728 1042817976 /nfs/dbraw/zinc/81/79/76/1042817976.db2.gz ANCNKWYPUYFVDZ-UHFFFAOYSA-N 1 0 377.598 3.794 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2(CC3CC3)CC[NH2+]CC2)cc1C(F)(F)F ZINC001239387232 1042819527 /nfs/dbraw/zinc/81/95/27/1042819527.db2.gz VQJHKOPBFFYILN-UHFFFAOYSA-N 1 0 382.455 3.786 20 30 GHEDRO C=CCCNC(=S)NCC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001239389998 1042820071 /nfs/dbraw/zinc/82/00/71/1042820071.db2.gz FGPCHFPNOZWIAN-UHFFFAOYSA-N 1 0 385.499 3.658 20 30 GHEDRO CCCCCCCCCNC(=S)NC[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001239403159 1042823279 /nfs/dbraw/zinc/82/32/79/1042823279.db2.gz XHNQGJCRFLEUIU-SFHVURJKSA-N 1 0 379.570 3.688 20 30 GHEDRO CCCCCCCNC(=S)N1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001239421064 1042825341 /nfs/dbraw/zinc/82/53/41/1042825341.db2.gz ADKRXCRUUULHGN-UHFFFAOYSA-N 1 0 389.609 3.977 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001239454985 1042832271 /nfs/dbraw/zinc/83/22/71/1042832271.db2.gz MBDPMXWAEZOKSX-ROUUACIJSA-N 1 0 385.618 3.604 20 30 GHEDRO N#Cc1cc(-c2ccc(C(=O)N3CCCCC3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001239903730 1042859369 /nfs/dbraw/zinc/85/93/69/1042859369.db2.gz PIOBPGIALCCXRD-UHFFFAOYSA-N 1 0 389.499 3.982 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291135915 1043104205 /nfs/dbraw/zinc/10/42/05/1043104205.db2.gz MNTHNJRWFQOCKP-JKSUJKDBSA-N 1 0 386.931 3.821 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001291142917 1043106283 /nfs/dbraw/zinc/10/62/83/1043106283.db2.gz NXHYNGYCTOJNCU-OALUTQOASA-N 1 0 392.551 3.926 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001291428867 1043248252 /nfs/dbraw/zinc/24/82/52/1043248252.db2.gz DKKFXGIOAGPHBN-MSOLQXFVSA-N 1 0 380.540 3.588 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001291442170 1043258584 /nfs/dbraw/zinc/25/85/84/1043258584.db2.gz ZFTZSYPIUMMLQG-UZLBHIALSA-N 1 0 380.540 3.640 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001291738344 1043435515 /nfs/dbraw/zinc/43/55/15/1043435515.db2.gz LIEAVUJVTWTVCZ-UHFFFAOYSA-N 1 0 394.338 3.943 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(C2CCC2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001291771407 1043455243 /nfs/dbraw/zinc/45/52/43/1043455243.db2.gz DQTHEHPEIQAAOS-KRWDZBQOSA-N 1 0 380.540 3.784 20 30 GHEDRO Cc1ccc(CN(C(=O)NCC#CC[NH+](C)C)[C@H]2CCc3ccccc32)cc1 ZINC001256578430 1043550881 /nfs/dbraw/zinc/55/08/81/1043550881.db2.gz AYBFJBDPTLROGU-QHCPKHFHSA-N 1 0 375.516 3.759 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@@H](C)Cc3ccncc3)c3ccccc32)cc1 ZINC001256734022 1043640915 /nfs/dbraw/zinc/64/09/15/1043640915.db2.gz VMOXXGHILKMDGL-KRWDZBQOSA-N 1 0 399.498 3.825 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@@]2(C(F)(F)F)C1 ZINC001256964121 1043776037 /nfs/dbraw/zinc/77/60/37/1043776037.db2.gz QSUSXGJLUWMMBV-AMGHTJPVSA-N 1 0 387.446 3.800 20 30 GHEDRO COC(=O)[C@@H](Cc1ccc(C#N)cc1)NC1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016224 1043800466 /nfs/dbraw/zinc/80/04/66/1043800466.db2.gz YPQYRLLBPJWNKL-XPPIMPSXSA-N 1 0 387.483 3.830 20 30 GHEDRO N#Cc1ccc(C2CCC([N@H+]3CCN(Cc4ccccc4)[C@@H](CO)C3)CC2)cc1 ZINC001257017119 1043802383 /nfs/dbraw/zinc/80/23/83/1043802383.db2.gz ONDJKDPSZJHMQV-DDJHWDJXSA-N 1 0 389.543 3.763 20 30 GHEDRO CCOC[C@@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)Cc2nnn(CC)c21 ZINC001257018187 1043803621 /nfs/dbraw/zinc/80/36/21/1043803621.db2.gz KHYORZYCDYLDER-KBWCOIMZSA-N 1 0 393.535 3.832 20 30 GHEDRO C=CCOCc1nn([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CC)C2)c2c1C[NH2+]C2 ZINC001257128006 1043875244 /nfs/dbraw/zinc/87/52/44/1043875244.db2.gz ATHKWXUTAWBITI-HOTGVXAUSA-N 1 0 390.528 3.540 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001292880833 1043928046 /nfs/dbraw/zinc/92/80/46/1043928046.db2.gz LXOOZBDMICQKHE-TZIWHRDSSA-N 1 0 381.907 3.976 20 30 GHEDRO CCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001292933416 1043951312 /nfs/dbraw/zinc/95/13/12/1043951312.db2.gz DZTDJYLUGJSMRN-QGZVFWFLSA-N 1 0 398.580 3.869 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+]([C@H](C)CCc2ccc3cc(OC)ccc3c2)CC1 ZINC001257283831 1043956247 /nfs/dbraw/zinc/95/62/47/1043956247.db2.gz ALFXBSZSAUYQQX-QGZVFWFLSA-N 1 0 380.488 3.948 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(C)C ZINC001292958736 1043965354 /nfs/dbraw/zinc/96/53/54/1043965354.db2.gz NUTGTQGBIKKYRY-NRFANRHFSA-N 1 0 384.499 3.655 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccc(Br)c(F)c1)C(C)C ZINC001292958077 1043965454 /nfs/dbraw/zinc/96/54/54/1043965454.db2.gz SICXEWASAOUOGQ-GOSISDBHSA-N 1 0 397.332 3.946 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1)C(C)C ZINC001292958974 1043966280 /nfs/dbraw/zinc/96/62/80/1043966280.db2.gz RTASHVXAOYLQRF-YADHBBJMSA-N 1 0 383.536 3.611 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC001293046374 1043999068 /nfs/dbraw/zinc/99/90/68/1043999068.db2.gz QNEUERAJGIJWQE-NRFANRHFSA-N 1 0 377.488 3.720 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001257810711 1044191823 /nfs/dbraw/zinc/19/18/23/1044191823.db2.gz SHIXBRWIPSNTQN-FIKGOQFSSA-N 1 0 392.565 3.830 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4O[C@@H](C(=O)NCc5ccco5)CC[C@H]43)C[C@H](C1)C2 ZINC001257891783 1044247563 /nfs/dbraw/zinc/24/75/63/1044247563.db2.gz PWUWWQIUMJPTLM-BHTGBPEVSA-N 1 0 384.520 3.653 20 30 GHEDRO CCCCCCC[C@H](C)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)S(=O)(=O)CC ZINC001258046840 1044368805 /nfs/dbraw/zinc/36/88/05/1044368805.db2.gz DZLLJXDHDWZKNU-SLFFLAALSA-N 1 0 388.618 3.688 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142749 1044428973 /nfs/dbraw/zinc/42/89/73/1044428973.db2.gz KIVOBYKQILKDBN-VWLOTQADSA-N 1 0 395.591 3.727 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258141942 1044429036 /nfs/dbraw/zinc/42/90/36/1044429036.db2.gz QEHQEUSCYZIXNW-DNQXCXABSA-N 1 0 384.564 3.520 20 30 GHEDRO CCCCCCCCC[C@H](C)[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001258229668 1044478466 /nfs/dbraw/zinc/47/84/66/1044478466.db2.gz UDKGVOVUVQIDFX-ZCNNSNEGSA-N 1 0 387.634 3.576 20 30 GHEDRO C[C@@H](CC(C)(C)SCc1ccco1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001258313741 1044503058 /nfs/dbraw/zinc/50/30/58/1044503058.db2.gz IRBPZACCQZPMPH-INIZCTEOSA-N 1 0 385.537 3.554 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(C#N)CC1 ZINC001294309624 1044578131 /nfs/dbraw/zinc/57/81/31/1044578131.db2.gz CFRITBRTJUKDPB-HXUWFJFHSA-N 1 0 384.572 3.940 20 30 GHEDRO CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCC1 ZINC001294542066 1044691470 /nfs/dbraw/zinc/69/14/70/1044691470.db2.gz ZIADHPSKZSWQMJ-UHFFFAOYSA-N 1 0 378.524 3.539 20 30 GHEDRO CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001294555107 1044701970 /nfs/dbraw/zinc/70/19/70/1044701970.db2.gz LHPVROAYBOHBKH-FQEVSTJZSA-N 1 0 380.540 3.783 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001258714156 1044733133 /nfs/dbraw/zinc/73/31/33/1044733133.db2.gz KEWGTJNQZRLDDE-VXKWHMMOSA-N 1 0 382.589 3.711 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001296040142 1045230205 /nfs/dbraw/zinc/23/02/05/1045230205.db2.gz VCWZQIZJLRKCCX-VGOFRKELSA-N 1 0 396.514 3.556 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001296040452 1045230941 /nfs/dbraw/zinc/23/09/41/1045230941.db2.gz VMIYCKBGQIPYPT-HOTGVXAUSA-N 1 0 386.931 3.536 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC001297373505 1045505173 /nfs/dbraw/zinc/50/51/73/1045505173.db2.gz WJASJFHQZOYUTN-UHFFFAOYSA-N 1 0 377.337 3.984 20 30 GHEDRO C=CCC1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CCCC1 ZINC001297803837 1045625477 /nfs/dbraw/zinc/62/54/77/1045625477.db2.gz LOWBZLKZPFIOIP-QPPBQGQZSA-N 1 0 382.548 3.778 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(C2CC2)nnc1N1CCC(CC#N)CC1)c1cccc(F)c1 ZINC001298030927 1045681176 /nfs/dbraw/zinc/68/11/76/1045681176.db2.gz SUDHMSOFGDUNMN-FQEVSTJZSA-N 1 0 396.514 3.728 20 30 GHEDRO C[N@H+](CCn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1)C1CCCC1 ZINC001298713550 1045927724 /nfs/dbraw/zinc/92/77/24/1045927724.db2.gz FXYJPUDECLGQNC-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300906036 1046234002 /nfs/dbraw/zinc/23/40/02/1046234002.db2.gz YWSAPPKGXLUSLH-LJQANCHMSA-N 1 0 392.551 3.951 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300917901 1046240200 /nfs/dbraw/zinc/24/02/00/1046240200.db2.gz PADVIMRFFHGYJT-FQEVSTJZSA-N 1 0 379.618 3.706 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001300924563 1046246071 /nfs/dbraw/zinc/24/60/71/1046246071.db2.gz DARMWMXCXHSLGR-HXUWFJFHSA-N 1 0 397.567 3.910 20 30 GHEDRO C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001301040105 1046303672 /nfs/dbraw/zinc/30/36/72/1046303672.db2.gz CLFLPKASPYXNPX-QZTJIDSGSA-N 1 0 393.963 3.584 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001301087324 1046330358 /nfs/dbraw/zinc/33/03/58/1046330358.db2.gz BRHMJEKSWDILBQ-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301087402 1046331417 /nfs/dbraw/zinc/33/14/17/1046331417.db2.gz GEXRKAOHARPOCO-NRFANRHFSA-N 1 0 394.567 3.541 20 30 GHEDRO C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001301088594 1046332735 /nfs/dbraw/zinc/33/27/35/1046332735.db2.gz BEBBFIRLOBAMPB-INIZCTEOSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001301118680 1046353825 /nfs/dbraw/zinc/35/38/25/1046353825.db2.gz FIRUOZFNZAFOAC-FQEVSTJZSA-N 1 0 380.540 3.617 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001301120054 1046356402 /nfs/dbraw/zinc/35/64/02/1046356402.db2.gz GDPRDKYYTWBVFO-UXHICEINSA-N 1 0 389.588 3.898 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001301146239 1046373390 /nfs/dbraw/zinc/37/33/90/1046373390.db2.gz XIRBBQUXBLWUGL-LJQANCHMSA-N 1 0 396.583 3.951 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301149733 1046374609 /nfs/dbraw/zinc/37/46/09/1046374609.db2.gz FDHYGDOMWXPSQN-RTBURBONSA-N 1 0 394.567 3.924 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001301281709 1046451819 /nfs/dbraw/zinc/45/18/19/1046451819.db2.gz WHMQZERAMSMFHI-INIZCTEOSA-N 1 0 376.936 3.592 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001301305881 1046467393 /nfs/dbraw/zinc/46/73/93/1046467393.db2.gz RZGYPLFYJVTRGT-PMACEKPBSA-N 1 0 381.568 3.806 20 30 GHEDRO C=CCn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1C1(C#N)CCCCC1 ZINC001262993335 1046476677 /nfs/dbraw/zinc/47/66/77/1046476677.db2.gz ZSJZUVJFSOYHFE-IBGZPJMESA-N 1 0 382.556 3.502 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(CC)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C ZINC001301367339 1046512175 /nfs/dbraw/zinc/51/21/75/1046512175.db2.gz MOUBLWZEVBRLRW-CEXWTWQISA-N 1 0 391.629 3.869 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001301383176 1046518029 /nfs/dbraw/zinc/51/80/29/1046518029.db2.gz HCPHGMDAOAVARW-QZTJIDSGSA-N 1 0 387.572 3.612 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1CC[NH+]1CCCC1 ZINC001301406921 1046529900 /nfs/dbraw/zinc/52/99/00/1046529900.db2.gz XYRWEUXOIJLJFZ-UHFFFAOYSA-N 1 0 391.519 3.869 20 30 GHEDRO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001301438021 1046546018 /nfs/dbraw/zinc/54/60/18/1046546018.db2.gz GUNUICPTZIYZBV-GOSISDBHSA-N 1 0 397.567 3.586 20 30 GHEDRO C=CCSCCn1c(C2CC2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001301610507 1046622838 /nfs/dbraw/zinc/62/28/38/1046622838.db2.gz ZHJBZDIDQADHKF-HXUWFJFHSA-N 1 0 397.592 3.785 20 30 GHEDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001263257296 1046660672 /nfs/dbraw/zinc/66/06/72/1046660672.db2.gz QFJJNZCQRLFNDJ-BXUZGUMPSA-N 1 0 398.322 3.929 20 30 GHEDRO C=C(C)Cn1c(CN2CCCC2)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001263287435 1046682390 /nfs/dbraw/zinc/68/23/90/1046682390.db2.gz IHGWKNPUKZAGIE-GOSISDBHSA-N 1 0 397.571 3.681 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001263331094 1046716894 /nfs/dbraw/zinc/71/68/94/1046716894.db2.gz FMNIURUDSSEYKA-CTNGQTDRSA-N 1 0 395.551 3.550 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC001301880637 1046742736 /nfs/dbraw/zinc/74/27/36/1046742736.db2.gz KLTZYWOTNJWGBZ-RXVVDRJESA-N 1 0 386.499 3.805 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001263405440 1046789146 /nfs/dbraw/zinc/78/91/46/1046789146.db2.gz IRSNENURYMUIHV-VQTJNVASSA-N 1 0 384.572 3.654 20 30 GHEDRO CON(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302340158 1046914798 /nfs/dbraw/zinc/91/47/98/1046914798.db2.gz ZZIQWBPYEGTDSW-CALCHBBNSA-N 1 0 396.539 3.571 20 30 GHEDRO CC(C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001302563055 1046978997 /nfs/dbraw/zinc/97/89/97/1046978997.db2.gz QMCPUWVNZAYFEV-AZUAARDMSA-N 1 0 380.540 3.977 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@@H]21)[NH+](C)C ZINC001302811113 1047118459 /nfs/dbraw/zinc/11/84/59/1047118459.db2.gz DTVOLYURSQGWMD-NJYVYQBISA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001303030904 1047254670 /nfs/dbraw/zinc/25/46/70/1047254670.db2.gz YJFSNRJTSJNNOD-NQIIRXRSSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001303708456 1047490072 /nfs/dbraw/zinc/49/00/72/1047490072.db2.gz OYRKPUWXITWQCX-INIZCTEOSA-N 1 0 391.523 3.507 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCC[N@@H+]2C2CC2)o1 ZINC001304294612 1047636918 /nfs/dbraw/zinc/63/69/18/1047636918.db2.gz SEUIKZPQCYQJOL-MAUKXSAKSA-N 1 0 382.512 3.602 20 30 GHEDRO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001304792406 1047770010 /nfs/dbraw/zinc/77/00/10/1047770010.db2.gz GAQGUEWKUQTQRN-KRWDZBQOSA-N 1 0 380.540 3.605 20 30 GHEDRO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001304916965 1047806438 /nfs/dbraw/zinc/80/64/38/1047806438.db2.gz BXRBUYBWQQXUBH-QZTJIDSGSA-N 1 0 392.551 3.783 20 30 GHEDRO CC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)CC1 ZINC001304976443 1047828303 /nfs/dbraw/zinc/82/83/03/1047828303.db2.gz QYCLYFRNSMCOQG-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCCC1 ZINC001305075876 1047877322 /nfs/dbraw/zinc/87/73/22/1047877322.db2.gz FFTDDFOXCKGVLG-RBUKOAKNSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001305081679 1047883710 /nfs/dbraw/zinc/88/37/10/1047883710.db2.gz XIWNLYKDLSDJFJ-QZTJIDSGSA-N 1 0 392.551 3.783 20 30 GHEDRO CCCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N1CC(CC#N)C1 ZINC001279872435 1047975792 /nfs/dbraw/zinc/97/57/92/1047975792.db2.gz UIELEPIAVYSEFR-IBGZPJMESA-N 1 0 377.598 3.917 20 30 GHEDRO Cc1csc(C[NH+]2CCC3(C[C@H]3C(=O)N3CC(CC#N)C3)CC2)c1Cl ZINC001279877462 1047978159 /nfs/dbraw/zinc/97/81/59/1047978159.db2.gz RZWVUMQFWCDNFD-HNNXBMFYSA-N 1 0 377.941 3.684 20 30 GHEDRO C=CCCCNC(=S)N[C@@]12CC[C@@]([NH2+]Cc3scnc3C)(C1)CCC2 ZINC001279935867 1047993684 /nfs/dbraw/zinc/99/36/84/1047993684.db2.gz FWTKTAXRLHPONY-MOPGFXCFSA-N 1 0 378.611 3.817 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC001280009954 1048047768 /nfs/dbraw/zinc/04/77/68/1048047768.db2.gz NLBNZUYCNHVHMA-LVFSCSRESA-N 1 0 392.330 3.870 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305436431 1048050952 /nfs/dbraw/zinc/05/09/52/1048050952.db2.gz MNDQZEWYOMVDAB-DLBZAZTESA-N 1 0 384.528 3.818 20 30 GHEDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)[C@H]1c1ccccc1 ZINC001280079320 1048072454 /nfs/dbraw/zinc/07/24/54/1048072454.db2.gz YPHKBOVGIIHFKH-DYVFJYSZSA-N 1 0 388.924 3.507 20 30 GHEDRO CC/C=C\CCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1(C#N)CCC1 ZINC001280237997 1048141358 /nfs/dbraw/zinc/14/13/58/1048141358.db2.gz SQKVVILAIPKVJQ-DDKKJVIOSA-N 1 0 375.582 3.883 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001286274145 1048246245 /nfs/dbraw/zinc/24/62/45/1048246245.db2.gz LFKIPOFBAPRNJM-DLBZAZTESA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@@H+](C)[C@@H](C)CC ZINC001286286089 1048255407 /nfs/dbraw/zinc/25/54/07/1048255407.db2.gz SXKRYRRGBOJHQD-ZWKOTPCHSA-N 1 0 392.551 3.625 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286292787 1048258877 /nfs/dbraw/zinc/25/88/77/1048258877.db2.gz JTZFPJKLFKVJDM-TYPHKJRUSA-N 1 0 399.583 3.775 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001286302936 1048264801 /nfs/dbraw/zinc/26/48/01/1048264801.db2.gz HISXYORJTLQGQB-WOJBJXKFSA-N 1 0 385.600 3.981 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)C[NH+](C)C ZINC001286366207 1048291095 /nfs/dbraw/zinc/29/10/95/1048291095.db2.gz XUUAIDBOQVUENA-UHFFFAOYSA-N 1 0 399.608 3.933 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCCCC[NH+]1CCCC1 ZINC001286367577 1048292351 /nfs/dbraw/zinc/29/23/51/1048292351.db2.gz KYXZTRIOPUFDAT-UHFFFAOYSA-N 1 0 385.943 3.934 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286371619 1048294705 /nfs/dbraw/zinc/29/47/05/1048294705.db2.gz ZBHXILIVVUHSBW-GOSISDBHSA-N 1 0 379.552 3.833 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286570666 1048369839 /nfs/dbraw/zinc/36/98/39/1048369839.db2.gz DXKWVRPUBOVLSN-NRFANRHFSA-N 1 0 385.581 3.785 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001286570726 1048370054 /nfs/dbraw/zinc/37/00/54/1048370054.db2.gz GYWYDLCZGHXFOM-HXUWFJFHSA-N 1 0 378.524 3.703 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001286573347 1048371577 /nfs/dbraw/zinc/37/15/77/1048371577.db2.gz JGHWATNWLRUODB-IBGZPJMESA-N 1 0 397.571 3.506 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCC[NH+]1CCCCC1 ZINC001286578669 1048372280 /nfs/dbraw/zinc/37/22/80/1048372280.db2.gz HOPVTHPXYIWWDT-UHFFFAOYSA-N 1 0 382.556 3.542 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001286580751 1048374090 /nfs/dbraw/zinc/37/40/90/1048374090.db2.gz CTASWJXEDFUJJA-FQEVSTJZSA-N 1 0 385.531 3.895 20 30 GHEDRO C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001286608653 1048384763 /nfs/dbraw/zinc/38/47/63/1048384763.db2.gz TXXNZFCDGHUUMW-IBGZPJMESA-N 1 0 389.588 3.524 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001286643613 1048408033 /nfs/dbraw/zinc/40/80/33/1048408033.db2.gz PEAHCLDSJWZTBR-OAQYLSRUSA-N 1 0 390.535 3.848 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286644384 1048409236 /nfs/dbraw/zinc/40/92/36/1048409236.db2.gz ULZUKRAMFCCHNM-LJQANCHMSA-N 1 0 380.540 3.617 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286655030 1048422779 /nfs/dbraw/zinc/42/27/79/1048422779.db2.gz JJOVSCLKASOFKN-UHFFFAOYSA-N 1 0 390.535 3.703 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286661876 1048427492 /nfs/dbraw/zinc/42/74/92/1048427492.db2.gz MXFYHUMCCJCAFH-FQEVSTJZSA-N 1 0 382.556 3.796 20 30 GHEDRO C=CCC(C)(C)Cn1c(C(C)C)nnc1N1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC001286667076 1048432887 /nfs/dbraw/zinc/43/28/87/1048432887.db2.gz OIFXBLDCPBWMJP-RTBURBONSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCC(C)(C)Cn1c(C(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC001286667072 1048433027 /nfs/dbraw/zinc/43/30/27/1048433027.db2.gz OIFXBLDCPBWMJP-MOPGFXCFSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001286670876 1048435574 /nfs/dbraw/zinc/43/55/74/1048435574.db2.gz MKSRNNZXCZABAH-OTWHNJEPSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286718969 1048474296 /nfs/dbraw/zinc/47/42/96/1048474296.db2.gz HBBDDGZHPUBASW-NRFANRHFSA-N 1 0 385.581 3.567 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CCC1CC[NH+](CC)CC1)C1CC1 ZINC001286733929 1048492414 /nfs/dbraw/zinc/49/24/14/1048492414.db2.gz KLQVMVRMNJSARW-UHFFFAOYSA-N 1 0 382.556 3.560 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+]1CCCC1)C1CC1 ZINC001286737105 1048495713 /nfs/dbraw/zinc/49/57/13/1048495713.db2.gz MFSZUWLMNMGPGA-UHFFFAOYSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC001286737685 1048497009 /nfs/dbraw/zinc/49/70/09/1048497009.db2.gz TWLFLYTZCHNSLQ-LJQANCHMSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286738761 1048497343 /nfs/dbraw/zinc/49/73/43/1048497343.db2.gz COGNXRUYBMMMEE-JOCHJYFZSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCN(c1nnc(Cc2cccnc2)n1CC1CC[NH+](CCC)CC1)C1CC1 ZINC001286738073 1048497396 /nfs/dbraw/zinc/49/73/96/1048497396.db2.gz ZUOOGIOUAMZVFW-UHFFFAOYSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C)C1)C(C)C ZINC001286751134 1048504332 /nfs/dbraw/zinc/50/43/32/1048504332.db2.gz ANNOIQXWOTYVPQ-HSALFYBXSA-N 1 0 387.572 3.674 20 30 GHEDRO C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286771404 1048519659 /nfs/dbraw/zinc/51/96/59/1048519659.db2.gz OHFFBNHOAVUVKP-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001286803523 1048531516 /nfs/dbraw/zinc/53/15/16/1048531516.db2.gz GEISIMHQDZIOCA-RTWAWAEBSA-N 1 0 395.551 3.601 20 30 GHEDRO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001306270554 1048532822 /nfs/dbraw/zinc/53/28/22/1048532822.db2.gz OJPLUEYVNGRTIO-GHTZIAJQSA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286960761 1048553919 /nfs/dbraw/zinc/55/39/19/1048553919.db2.gz IWZNOQLGHOAIST-HOTGVXAUSA-N 1 0 398.942 3.679 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286961830 1048555512 /nfs/dbraw/zinc/55/55/12/1048555512.db2.gz YARTVJVVMJEAJY-SFHVURJKSA-N 1 0 394.567 3.620 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)CC1 ZINC001287042515 1048588422 /nfs/dbraw/zinc/58/84/22/1048588422.db2.gz PTEASXMVWFKVSN-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CC3CC3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001287742371 1048907865 /nfs/dbraw/zinc/90/78/65/1048907865.db2.gz NLSFMHMVRIDNGB-HXUWFJFHSA-N 1 0 398.599 3.729 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)[C@H]([NH2+]C(C)C)c3ccc(OC)cc3)cc2n1 ZINC001306900420 1048951610 /nfs/dbraw/zinc/95/16/10/1048951610.db2.gz WBDGGJFTXRFMDR-OAQYLSRUSA-N 1 0 378.476 3.909 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001287983717 1048962240 /nfs/dbraw/zinc/96/22/40/1048962240.db2.gz KHVYGJWHJIBYBH-PGRDOPGGSA-N 1 0 395.555 3.524 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNc2cc(C#N)c(Br)cn2)cc1 ZINC001306960228 1048980555 /nfs/dbraw/zinc/98/05/55/1048980555.db2.gz XYAQZEVGUFTPDJ-UHFFFAOYSA-N 1 0 389.297 3.658 20 30 GHEDRO CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001307003601 1049002135 /nfs/dbraw/zinc/00/21/35/1049002135.db2.gz YHUSTXFTYQLVEI-KRWDZBQOSA-N 1 0 380.540 3.926 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(CC)cc3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001307032666 1049026407 /nfs/dbraw/zinc/02/64/07/1049026407.db2.gz VITISEMMAFLRBC-ICSRJNTNSA-N 1 0 394.567 3.835 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001307437696 1049273834 /nfs/dbraw/zinc/27/38/34/1049273834.db2.gz JKMXDFHDODKDIK-FQEVSTJZSA-N 1 0 387.524 3.652 20 30 GHEDRO CC[N@H+]([C@H](COC)Cc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307520521 1049363689 /nfs/dbraw/zinc/36/36/89/1049363689.db2.gz JDIMMPAEFABJSZ-XZOQPEGZSA-N 1 0 391.515 3.633 20 30 GHEDRO CC[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[C@H]1c1ccccc1 ZINC001307520511 1049365208 /nfs/dbraw/zinc/36/52/08/1049365208.db2.gz NOYPSKSTQOCKPW-PZJWPPBQSA-N 1 0 386.495 3.802 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC001307549540 1049391560 /nfs/dbraw/zinc/39/15/60/1049391560.db2.gz DAHXOYCSBNXKHF-GOSISDBHSA-N 1 0 391.515 3.861 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)cc1 ZINC001307626413 1049459708 /nfs/dbraw/zinc/45/97/08/1049459708.db2.gz WHECJMNNMAYZJQ-LJQANCHMSA-N 1 0 390.405 3.993 20 30 GHEDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001307694739 1049512146 /nfs/dbraw/zinc/51/21/46/1049512146.db2.gz ZAYSOATVMPXSGM-WWDZGPRUSA-N 1 0 375.538 3.549 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001289531555 1049526667 /nfs/dbraw/zinc/52/66/67/1049526667.db2.gz NCWHVPBODDQIDD-DRSNIGMVSA-N 1 0 398.555 3.953 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001307758620 1049572956 /nfs/dbraw/zinc/57/29/56/1049572956.db2.gz SVNZMMFYKWIXBP-UHFFFAOYSA-N 1 0 388.581 3.635 20 30 GHEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001307764831 1049578066 /nfs/dbraw/zinc/57/80/66/1049578066.db2.gz ZZBCPBKCVHIGAV-RUZDIDTESA-N 1 0 386.495 3.730 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC001289797745 1049632577 /nfs/dbraw/zinc/63/25/77/1049632577.db2.gz OCOWKCIIMUUCCX-XMSQKQJNSA-N 1 0 379.504 3.915 20 30 GHEDRO COC(=O)[C@]1(NCCC2(C#N)CCCCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC001307888528 1049668218 /nfs/dbraw/zinc/66/82/18/1049668218.db2.gz XSWPPVYSNIKVSD-QHCPKHFHSA-N 1 0 383.536 3.648 20 30 GHEDRO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307902086 1049680111 /nfs/dbraw/zinc/68/01/11/1049680111.db2.gz QIYLMGKJNUMIJQ-UXHICEINSA-N 1 0 397.519 3.640 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001307926152 1049699826 /nfs/dbraw/zinc/69/98/26/1049699826.db2.gz NXOQLKBTMKNJNZ-GIWBLDEGSA-N 1 0 386.536 3.875 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1Br)CCc1cccc(C#N)c1 ZINC001308015864 1049765674 /nfs/dbraw/zinc/76/56/74/1049765674.db2.gz JVJQLAJVSAAQMV-UHFFFAOYSA-N 1 0 386.293 3.824 20 30 GHEDRO CC1(C)CC(NC(=O)c2cccc(CNc3ncccc3C#N)c2)CC(C)(C)[NH2+]1 ZINC001290510808 1049863962 /nfs/dbraw/zinc/86/39/62/1049863962.db2.gz RNGMRSXSRNZUTF-UHFFFAOYSA-N 1 0 391.519 3.604 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCSC[C@H]3C)sc2C1 ZINC001308140664 1049880224 /nfs/dbraw/zinc/88/02/24/1049880224.db2.gz ICIDMFWMWUNCDP-ZIAGYGMSSA-N 1 0 377.579 3.901 20 30 GHEDRO C[C@@H]1CN([C@H](C[NH2+]Cc2csc(C#N)c2)c2c(F)cccc2Cl)CCO1 ZINC001308202847 1049911147 /nfs/dbraw/zinc/91/11/47/1049911147.db2.gz LGLHVKNQKDLIJT-FZKQIMNGSA-N 1 0 393.915 3.964 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCc1ccc(F)c(Br)c1 ZINC001308259512 1049929295 /nfs/dbraw/zinc/92/92/95/1049929295.db2.gz XCWNQWWCJPSJIL-UHFFFAOYSA-N 1 0 376.273 3.858 20 30 GHEDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)ncc1C#N ZINC001290980955 1049964017 /nfs/dbraw/zinc/96/40/17/1049964017.db2.gz OCMYHWGSSNKFDB-IAGOWNOFSA-N 1 0 376.504 3.670 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001308521036 1049998068 /nfs/dbraw/zinc/99/80/68/1049998068.db2.gz LJCLSTSGPZYJOZ-GOSISDBHSA-N 1 0 390.369 3.627 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001308536449 1050001759 /nfs/dbraw/zinc/00/17/59/1050001759.db2.gz HONCCGUHMIUAKD-LJQANCHMSA-N 1 0 386.540 3.772 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001308611318 1050031214 /nfs/dbraw/zinc/03/12/14/1050031214.db2.gz GIOMJIXNGHFRGL-HKUYNNGSSA-N 1 0 399.535 3.574 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC001309268750 1050539192 /nfs/dbraw/zinc/53/91/92/1050539192.db2.gz OZUHNKMWNIBVKT-UHFFFAOYSA-N 1 0 393.578 3.869 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(OCC#N)c3)C[C@@H]2C1 ZINC001329498062 1050821193 /nfs/dbraw/zinc/82/11/93/1050821193.db2.gz CQNFKZMRSGZGFQ-OTWHNJEPSA-N 1 0 385.508 3.714 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)CCC[NH2+]1 ZINC001329937888 1050927246 /nfs/dbraw/zinc/92/72/46/1050927246.db2.gz PPYLAVMCMAAXIQ-FQEVSTJZSA-N 1 0 384.867 3.624 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC001330591207 1051035380 /nfs/dbraw/zinc/03/53/80/1051035380.db2.gz TXORGTQGFRLWTO-QGZVFWFLSA-N 1 0 377.473 3.516 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1Br ZINC001310713491 1051545657 /nfs/dbraw/zinc/54/56/57/1051545657.db2.gz RPRBQMILWQQLMR-INIZCTEOSA-N 1 0 391.313 3.707 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC001310862895 1051662115 /nfs/dbraw/zinc/66/21/15/1051662115.db2.gz ZXCCLQNQTSBFGL-CQSZACIVSA-N 1 0 396.329 3.867 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(C#N)c(F)cc1F ZINC001311137500 1051896606 /nfs/dbraw/zinc/89/66/06/1051896606.db2.gz NGQDPGDRCFGTQB-KUHUBIRLSA-N 1 0 384.430 3.869 20 30 GHEDRO CC(C)C[C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC001311216032 1051946995 /nfs/dbraw/zinc/94/69/95/1051946995.db2.gz NAYZIZGKQURVAS-USXIJHARSA-N 1 0 384.446 3.896 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC001311351019 1052047826 /nfs/dbraw/zinc/04/78/26/1052047826.db2.gz XQFLGNLHHGJHBP-GOTSBHOMSA-N 1 0 391.515 3.896 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001311369033 1052064815 /nfs/dbraw/zinc/06/48/15/1052064815.db2.gz BZRLHDCJMBEXPY-QRVBRYPASA-N 1 0 377.916 3.510 20 30 GHEDRO C#CCCCc1nnc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)n1Cc1cccs1 ZINC001336398338 1052267243 /nfs/dbraw/zinc/26/72/43/1052267243.db2.gz IGCAGVAWFVSUCL-FHWLQOOXSA-N 1 0 397.592 3.510 20 30 GHEDRO C#CCN(C(=O)NCc1cccc(COc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001311644935 1052297092 /nfs/dbraw/zinc/29/70/92/1052297092.db2.gz QNIRJPCCRITZDP-UHFFFAOYSA-N 1 0 391.515 3.505 20 30 GHEDRO C=CCC1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC001336955612 1052368942 /nfs/dbraw/zinc/36/89/42/1052368942.db2.gz MUXIMIVPICRLGX-BHIFYINESA-N 1 0 382.548 3.776 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)CC1 ZINC001337085214 1052395788 /nfs/dbraw/zinc/39/57/88/1052395788.db2.gz QNAVMVPIXMJQFL-UHFFFAOYSA-N 1 0 380.467 3.728 20 30 GHEDRO C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001312939366 1052916442 /nfs/dbraw/zinc/91/64/42/1052916442.db2.gz ZFMGVKDXDTYZMT-FQEVSTJZSA-N 1 0 387.886 3.927 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC001313124579 1052963984 /nfs/dbraw/zinc/96/39/84/1052963984.db2.gz RRTUZLRSDXANFJ-WMLDXEAASA-N 1 0 386.323 3.583 20 30 GHEDRO CN(C(=O)NCC#CC[NH+](C)C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001313439775 1053055025 /nfs/dbraw/zinc/05/50/25/1053055025.db2.gz SHGHFJJVQAIEOE-ZWKOTPCHSA-N 1 0 381.442 3.548 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001342354711 1053124691 /nfs/dbraw/zinc/12/46/91/1053124691.db2.gz KCFAVUKRIGQHIR-OALUTQOASA-N 1 0 395.551 3.666 20 30 GHEDRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(C#N)CC1)c1ccco1 ZINC001313666126 1053160224 /nfs/dbraw/zinc/16/02/24/1053160224.db2.gz ULNVPBRYNSMBOA-GOSISDBHSA-N 1 0 384.528 3.818 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccco1 ZINC001313720980 1053189938 /nfs/dbraw/zinc/18/99/38/1053189938.db2.gz ASYWUVGLDIEBGK-QGZVFWFLSA-N 1 0 392.507 3.776 20 30 GHEDRO CC[N@H+](CCn1c(Cc2ccsc2)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 ZINC001313817712 1053245379 /nfs/dbraw/zinc/24/53/79/1053245379.db2.gz ZKSSPHRCUIUHQS-NRFANRHFSA-N 1 0 398.580 3.545 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001343006649 1053492699 /nfs/dbraw/zinc/49/26/99/1053492699.db2.gz DRKNITKHAQQAOA-PXNSSMCTSA-N 1 0 378.524 3.732 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1C1(c2ccccc2)CC1 ZINC001343031843 1053508789 /nfs/dbraw/zinc/50/87/89/1053508789.db2.gz ZLQQKEIPLMMRGV-UHFFFAOYSA-N 1 0 379.552 3.901 20 30 GHEDRO C[NH+](C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC2)CCCCC1 ZINC001314652158 1053551706 /nfs/dbraw/zinc/55/17/06/1053551706.db2.gz DNPUZRQMBDNVLF-UHFFFAOYSA-N 1 0 378.524 3.681 20 30 GHEDRO C=C(C)Cn1c(C2SC=CC2=O)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001343404433 1053753465 /nfs/dbraw/zinc/75/34/65/1053753465.db2.gz HJBKMFDRVDELFL-UHFFFAOYSA-N 1 0 375.542 3.599 20 30 GHEDRO C=C(C)Cn1c(CCCCC#N)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001343488985 1053806052 /nfs/dbraw/zinc/80/60/52/1053806052.db2.gz IJYYORBQDIIJOD-UHFFFAOYSA-N 1 0 398.580 3.517 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C3CC3)[nH]n2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343534164 1053848979 /nfs/dbraw/zinc/84/89/79/1053848979.db2.gz GYHMISXWWKNOSN-UHFFFAOYSA-N 1 0 395.555 3.576 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CCSC1 ZINC001343577525 1053901766 /nfs/dbraw/zinc/90/17/66/1053901766.db2.gz QLGLSSUROFHTLI-HSALFYBXSA-N 1 0 397.592 3.609 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001343918344 1054114509 /nfs/dbraw/zinc/11/45/09/1054114509.db2.gz HZEFWRZSZBRACI-WOJBJXKFSA-N 1 0 394.567 3.831 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001344017015 1054189513 /nfs/dbraw/zinc/18/95/13/1054189513.db2.gz NLSBQHNLHCDMRT-HMXCVIKNSA-N 1 0 399.583 3.531 20 30 GHEDRO C=CCC[C@@H]1CCCN1c1nnc([C@H]2CCC[N@@H+](C)C2)n1C[C@@H]1CCCCO1 ZINC001344299249 1054345847 /nfs/dbraw/zinc/34/58/47/1054345847.db2.gz ZDXCIOVGYNFPTO-ZCNNSNEGSA-N 1 0 387.572 3.591 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CCCC#N)n2CCc2ccccc2)[C@H](C)C1 ZINC001344481096 1054509712 /nfs/dbraw/zinc/50/97/12/1054509712.db2.gz DDOFEZLMXAOQIU-TZIWHRDSSA-N 1 0 394.567 3.534 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NC(C)(C)c2nc(-c3ccccc3F)c(C)s2)CC1 ZINC001344886707 1054785449 /nfs/dbraw/zinc/78/54/49/1054785449.db2.gz UZHBYJRVRWNGKZ-UHFFFAOYSA-N 1 0 399.535 3.954 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCC[N@@H+]3C3CCCC3)n2C[C@@H]2CCOC2)CC1 ZINC001345220681 1054945782 /nfs/dbraw/zinc/94/57/82/1054945782.db2.gz SZDDSURNLQPFRB-PZJWPPBQSA-N 1 0 399.583 3.941 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC001319008557 1054988619 /nfs/dbraw/zinc/98/86/19/1054988619.db2.gz GMCTYCUIQNNJQO-UHFFFAOYSA-N 1 0 381.442 3.540 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319482098 1055274864 /nfs/dbraw/zinc/27/48/64/1055274864.db2.gz QRPHVMTVRMRQBF-FPOVZHCZSA-N 1 0 383.467 3.635 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc(Cl)c1OC ZINC001320094086 1055650975 /nfs/dbraw/zinc/65/09/75/1055650975.db2.gz FHPJPSVKUKPNNU-UHFFFAOYSA-N 1 0 399.922 3.983 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001320319587 1055751769 /nfs/dbraw/zinc/75/17/69/1055751769.db2.gz HQRRHTOAQKQSMH-XQBPLPMBSA-N 1 0 385.552 3.651 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)c2)c1 ZINC001320494706 1055840856 /nfs/dbraw/zinc/84/08/56/1055840856.db2.gz WIRGNMPPKBWFNZ-OAQYLSRUSA-N 1 0 389.499 3.628 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001320870139 1055993686 /nfs/dbraw/zinc/99/36/86/1055993686.db2.gz FYOJOIZHCWQHON-UHFFFAOYSA-N 1 0 387.405 3.649 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001300597308 1056594680 /nfs/dbraw/zinc/59/46/80/1056594680.db2.gz CNFKCHCOHJNMOR-UHFFFAOYSA-N 1 0 389.613 3.613 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CC[N@H+](CC)C1 ZINC001300608849 1056632205 /nfs/dbraw/zinc/63/22/05/1056632205.db2.gz GHEACHHYRLULGK-HNNXBMFYSA-N 1 0 389.906 3.539 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001300620819 1056691479 /nfs/dbraw/zinc/69/14/79/1056691479.db2.gz GKEUEHAUQQCHGY-HXUWFJFHSA-N 1 0 383.515 3.837 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[N@H+]1CCC ZINC001300629122 1056720457 /nfs/dbraw/zinc/72/04/57/1056720457.db2.gz MFSOYTFVGDZLFU-NRFANRHFSA-N 1 0 379.552 3.511 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300633832 1056734669 /nfs/dbraw/zinc/73/46/69/1056734669.db2.gz OQBWEJGFLBUXRA-UHFFFAOYSA-N 1 0 385.581 3.512 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)CC1 ZINC001322732053 1056822851 /nfs/dbraw/zinc/82/28/51/1056822851.db2.gz XTCHVASOZWYWLV-UHFFFAOYSA-N 1 0 399.491 3.745 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848493157 1057126100 /nfs/dbraw/zinc/12/61/00/1057126100.db2.gz GPRWEEKLMDDIIZ-UHFFFAOYSA-N 1 0 383.492 3.661 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848555939 1057176511 /nfs/dbraw/zinc/17/65/11/1057176511.db2.gz YGWINNXWZNDSMO-IBGZPJMESA-N 1 0 387.524 3.603 20 30 GHEDRO C=CCn1c(CC(F)F)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001355967785 1057336684 /nfs/dbraw/zinc/33/66/84/1057336684.db2.gz HAMBCEKPKMYOME-SJLPKXTDSA-N 1 0 389.494 3.761 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC001356047607 1057369056 /nfs/dbraw/zinc/36/90/56/1057369056.db2.gz UFAYFRYNHPQETB-QUCCMNQESA-N 1 0 381.524 3.623 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001356175357 1057418396 /nfs/dbraw/zinc/41/83/96/1057418396.db2.gz BUOHDWXMPMPPMA-CTNGQTDRSA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCn1c(-c2scnc2CC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001356186539 1057422771 /nfs/dbraw/zinc/42/27/71/1057422771.db2.gz WZZWLGVUYSVORT-UHFFFAOYSA-N 1 0 386.569 3.605 20 30 GHEDRO Cc1ccc2c(c1)S[C@@H](C(=O)NC1CC[NH+](Cc3cccc(C#N)c3)CC1)C2 ZINC001326497286 1057497053 /nfs/dbraw/zinc/49/70/53/1057497053.db2.gz PSPBBOQVIHGZEO-JOCHJYFZSA-N 1 0 391.540 3.664 20 30 GHEDRO C=C(C)Cn1c(C[C@@H](C)SC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001356498359 1057529223 /nfs/dbraw/zinc/52/92/23/1057529223.db2.gz IIMVDFHROSZFPW-QGZVFWFLSA-N 1 0 379.618 3.705 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(C[S@@](C)=O)cc1 ZINC000849049522 1057556908 /nfs/dbraw/zinc/55/69/08/1057556908.db2.gz HJFOKDXHSQGSDI-HHHXNRCGSA-N 1 0 385.577 3.909 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(Cn2cncn2)cc1 ZINC000849053666 1057562554 /nfs/dbraw/zinc/56/25/54/1057562554.db2.gz ICNYXVJLRAPBDA-UHFFFAOYSA-N 1 0 390.535 3.670 20 30 GHEDRO CCCC[NH+]=C(NCC[C@H]1c2ccccc2NC1=O)NCc1ccc(C)cc1 ZINC000849057720 1057568211 /nfs/dbraw/zinc/56/82/11/1057568211.db2.gz WJKGQGZZYVQVQF-FQEVSTJZSA-N 1 0 378.520 3.956 20 30 GHEDRO C=CCc1cc(CNC(=[NH2+])Nc2cc(OC)ccc2OC)cc(OC)c1OC ZINC000849075050 1057582966 /nfs/dbraw/zinc/58/29/66/1057582966.db2.gz FXDBDQHXTHVRGG-UHFFFAOYSA-N 1 0 385.464 3.586 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001337971500 1058349653 /nfs/dbraw/zinc/34/96/53/1058349653.db2.gz ZUKHWRHKBKNPBZ-GBESFXJTSA-N 1 0 385.581 3.673 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C(F)(F)c1ccccc1C#N)Cc1ccccc1 ZINC001440742386 1058605239 /nfs/dbraw/zinc/60/52/39/1058605239.db2.gz FPXJFADIZFUOJP-IBGZPJMESA-N 1 0 385.458 3.719 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001338777755 1058778267 /nfs/dbraw/zinc/77/82/67/1058778267.db2.gz DYUNNESTLXSPOT-UHFFFAOYSA-N 1 0 375.586 3.529 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001338779476 1058780336 /nfs/dbraw/zinc/78/03/36/1058780336.db2.gz UCTKBDSQURCEQQ-HNNXBMFYSA-N 1 0 381.615 3.501 20 30 GHEDRO C=CCn1c([C@H]2C[C@@H]2OCCCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001338946592 1058901578 /nfs/dbraw/zinc/90/15/78/1058901578.db2.gz SNDOUDDJJBHBSE-OALUTQOASA-N 1 0 387.572 3.591 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001442721210 1058998412 /nfs/dbraw/zinc/99/84/12/1058998412.db2.gz DIZNGKVYZVYEOB-NTEUORMPSA-N 1 0 377.488 3.896 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(C)c(Br)s1)C(C)C ZINC001443425423 1059126602 /nfs/dbraw/zinc/12/66/02/1059126602.db2.gz INDJSLKJLBKBDF-ZDUSSCGKSA-N 1 0 386.359 3.642 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339413236 1059188523 /nfs/dbraw/zinc/18/85/23/1059188523.db2.gz HQQPFHPGCWBNJE-UHFFFAOYSA-N 1 0 393.626 3.788 20 30 GHEDRO C=CCn1c([C@@H](CC)OCC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001339621514 1059351952 /nfs/dbraw/zinc/35/19/52/1059351952.db2.gz HWZKBIGLSILRJW-GOSISDBHSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001339796351 1059477891 /nfs/dbraw/zinc/47/78/91/1059477891.db2.gz MNEOGZCFNWBJOI-QAETUUGQSA-N 1 0 379.499 3.533 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340189553 1059752006 /nfs/dbraw/zinc/75/20/06/1059752006.db2.gz SNBGEACXYVJDTE-UHFFFAOYSA-N 1 0 386.569 3.776 20 30 GHEDRO C=CCn1c([C@@H](C)[C@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001340302440 1059841177 /nfs/dbraw/zinc/84/11/77/1059841177.db2.gz OAZLVESKZHVQQB-RBUKOAKNSA-N 1 0 389.588 3.573 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2Cc2ccccc2)CC1 ZINC001340552997 1059972690 /nfs/dbraw/zinc/97/26/90/1059972690.db2.gz AYFNSKVRBDQTDR-WOJBJXKFSA-N 1 0 392.551 3.512 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001449890569 1060475904 /nfs/dbraw/zinc/47/59/04/1060475904.db2.gz GCJPXWXSVSTSHS-UHFFFAOYSA-N 1 0 394.519 3.528 20 30 GHEDRO CCN(c1nnc(CCCC#N)n1CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001341186600 1060478719 /nfs/dbraw/zinc/47/87/19/1060478719.db2.gz LRJNYXMWNFAGJC-QUCCMNQESA-N 1 0 380.540 3.806 20 30 GHEDRO C=CCC1(O)CCN(c2nnc([C@@H]3CCCC[N@@H+]3C3CCCC3)n2CC)CC1 ZINC001341210874 1060499301 /nfs/dbraw/zinc/49/93/01/1060499301.db2.gz RKSNDSZDKVQGTJ-IBGZPJMESA-N 1 0 387.572 3.675 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)COc2ccccc2C#N)[NH+](C)C)cc1 ZINC001450786130 1060687856 /nfs/dbraw/zinc/68/78/56/1060687856.db2.gz MDRYRAKQYVVQNU-OAQYLSRUSA-N 1 0 379.504 3.555 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1Cc2ccccc2C1 ZINC001341679974 1060805892 /nfs/dbraw/zinc/80/58/92/1060805892.db2.gz NZEUNTLLMVCHHE-NRFANRHFSA-N 1 0 393.535 3.690 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1C ZINC001341756231 1060863094 /nfs/dbraw/zinc/86/30/94/1060863094.db2.gz UGFBANHLWQCJLQ-IBGZPJMESA-N 1 0 392.551 3.715 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(CO)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001342097127 1061054850 /nfs/dbraw/zinc/05/48/50/1061054850.db2.gz OZAVACDWLAZGMS-UHFFFAOYSA-N 1 0 397.567 3.570 20 30 GHEDRO N#CCOc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001342105408 1061058779 /nfs/dbraw/zinc/05/87/79/1061058779.db2.gz XVMBOEKDNIBYBT-HSZRJFAPSA-N 1 0 390.487 3.719 20 30 GHEDRO C=C(C)Cn1c(-c2nc[nH]c2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001342217505 1061143734 /nfs/dbraw/zinc/14/37/34/1061143734.db2.gz FJBCSIYQLUIJOX-LJQANCHMSA-N 1 0 397.571 3.501 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001345994032 1061269254 /nfs/dbraw/zinc/26/92/54/1061269254.db2.gz KZABWSNXSOOGTE-NRFANRHFSA-N 1 0 395.551 3.550 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001346209085 1061450412 /nfs/dbraw/zinc/45/04/12/1061450412.db2.gz DRTTYTRJJLMRKI-GPMSIDNRSA-N 1 0 399.587 3.512 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC001346417824 1061555021 /nfs/dbraw/zinc/55/50/21/1061555021.db2.gz LUGQTBINJNEFAK-GLQYFDAESA-N 1 0 377.357 3.503 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001346485005 1061596512 /nfs/dbraw/zinc/59/65/12/1061596512.db2.gz VGYXINOZCKNVPT-SFHVURJKSA-N 1 0 391.629 3.993 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001346496849 1061611702 /nfs/dbraw/zinc/61/17/02/1061611702.db2.gz XPWIKCFDKZUDAI-RBUKOAKNSA-N 1 0 382.556 3.569 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 ZINC001346538240 1061663173 /nfs/dbraw/zinc/66/31/73/1061663173.db2.gz VYBOMYCETBHXIF-SFHVURJKSA-N 1 0 377.444 3.577 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001435565926 1062740275 /nfs/dbraw/zinc/74/02/75/1062740275.db2.gz KLEDKKYBALHUEU-HSALFYBXSA-N 1 0 375.516 3.858 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001348502049 1063143956 /nfs/dbraw/zinc/14/39/56/1063143956.db2.gz QCFUVZORPHNNRA-MSOLQXFVSA-N 1 0 398.580 3.860 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)cc2)c1 ZINC001457595335 1063270909 /nfs/dbraw/zinc/27/09/09/1063270909.db2.gz HRAPGXPEJKBHLR-FQEVSTJZSA-N 1 0 398.466 3.997 20 30 GHEDRO C[C@@H]1CCC[C@@](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)([NH+](C)C)C1 ZINC001458125133 1063583850 /nfs/dbraw/zinc/58/38/50/1063583850.db2.gz ZYQMDXRXTSWARZ-MPBGBICISA-N 1 0 376.426 3.868 20 30 GHEDRO C[C@H]1CN(c2ncc(C#N)cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC001458382226 1063774756 /nfs/dbraw/zinc/77/47/56/1063774756.db2.gz AMSSNUJRLBRCDZ-OAHLLOKOSA-N 1 0 385.309 3.674 20 30 GHEDRO CC(C)C[N@H+](CC(=O)NCCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC001459381981 1064081392 /nfs/dbraw/zinc/08/13/92/1064081392.db2.gz PTJRTMJYEMCTTG-UHFFFAOYSA-N 1 0 399.922 3.865 20 30 GHEDRO Cn1c(C2=[NH+]N(c3ccccc3)[C@H](C#N)C2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001350441379 1064087227 /nfs/dbraw/zinc/08/72/27/1064087227.db2.gz JXVKUSKMBKHVFC-FPOVZHCZSA-N 1 0 397.486 3.663 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N=c2sccn2Cc2cccc3ccccc32)CC1 ZINC001350715737 1064171497 /nfs/dbraw/zinc/17/14/97/1064171497.db2.gz NWFUIEUBFSLQLK-UHFFFAOYSA-N 1 0 389.524 3.524 20 30 GHEDRO Cc1ccc(N(C)[C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)cc1 ZINC001459820061 1064231517 /nfs/dbraw/zinc/23/15/17/1064231517.db2.gz QADJUOYVFWUTRA-OAQYLSRUSA-N 1 0 376.504 3.796 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC001460022063 1064351182 /nfs/dbraw/zinc/35/11/82/1064351182.db2.gz ZJHLTHGGZJCJQT-UTKZUKDTSA-N 1 0 392.565 3.562 20 30 GHEDRO C=CCn1c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)CC#N ZINC001351839668 1064635312 /nfs/dbraw/zinc/63/53/12/1064635312.db2.gz FDLDJIPXTSQSDL-FQEVSTJZSA-N 1 0 392.551 3.614 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1[C@@]1(C)CCC=CO1 ZINC001351981711 1064746419 /nfs/dbraw/zinc/74/64/19/1064746419.db2.gz SEPNEMGXDARTIL-OAQYLSRUSA-N 1 0 385.556 3.848 20 30 GHEDRO C#C[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000847194560 1064874827 /nfs/dbraw/zinc/87/48/27/1064874827.db2.gz ACVMUHHERDEZSW-HNNXBMFYSA-N 1 0 375.900 3.690 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)c1ccccc1 ZINC001464817563 1065227226 /nfs/dbraw/zinc/22/72/26/1065227226.db2.gz HZSMMBMQAWXQTM-HXUWFJFHSA-N 1 0 385.533 3.618 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)s1 ZINC001465061570 1065362761 /nfs/dbraw/zinc/36/27/61/1065362761.db2.gz KOMQTBBRPRFZNR-JKSUJKDBSA-N 1 0 379.574 3.999 20 30 GHEDRO N#C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001465587904 1065731606 /nfs/dbraw/zinc/73/16/06/1065731606.db2.gz MKSCAHWYNVAUIZ-QGZVFWFLSA-N 1 0 381.398 3.531 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)C[NH+](C)C ZINC001492562920 1065878261 /nfs/dbraw/zinc/87/82/61/1065878261.db2.gz ZPISPUUUBZHCLT-UHFFFAOYSA-N 1 0 380.540 3.581 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[NH+]1CCCC1 ZINC001300272355 1065902148 /nfs/dbraw/zinc/90/21/48/1065902148.db2.gz BASCYBVTDMJHGA-HXUWFJFHSA-N 1 0 391.563 3.692 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001300276147 1065907134 /nfs/dbraw/zinc/90/71/34/1065907134.db2.gz HSSVMFWCONUNHO-HZPDHXFCSA-N 1 0 383.927 3.541 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001300317771 1065980493 /nfs/dbraw/zinc/98/04/93/1065980493.db2.gz UYYKUCHPSIQUMN-LAUBAEHRSA-N 1 0 397.542 3.911 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2cc(F)c(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001466126390 1065990780 /nfs/dbraw/zinc/99/07/80/1065990780.db2.gz QEHUETPLLKQYLA-NVXWUHKLSA-N 1 0 383.442 3.867 20 30 GHEDRO CCCCCCCCCNC(=S)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001200373312 1066008858 /nfs/dbraw/zinc/00/88/58/1066008858.db2.gz YJGULGMRKPUCDE-GOSISDBHSA-N 1 0 379.618 3.502 20 30 GHEDRO Cc1oc(C2CC2)nc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746614 1066015632 /nfs/dbraw/zinc/01/56/32/1066015632.db2.gz OUMBKQYTJFFUKX-UHFFFAOYSA-N 1 0 379.460 3.823 20 30 GHEDRO Cc1csc(CCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000847746340 1066017939 /nfs/dbraw/zinc/01/79/39/1066017939.db2.gz DMAWVHWWPGYYLT-UHFFFAOYSA-N 1 0 383.517 3.733 20 30 GHEDRO Cc1cccc2c1O[C@H](C(=O)OCC1(C#N)CC[NH+](Cc3ccccc3)CC1)C2 ZINC000847746145 1066019533 /nfs/dbraw/zinc/01/95/33/1066019533.db2.gz ADRHOWCTTVFYMV-NRFANRHFSA-N 1 0 390.483 3.648 20 30 GHEDRO N#CC1(COC(=O)c2noc3c2CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847745827 1066019958 /nfs/dbraw/zinc/01/99/58/1066019958.db2.gz QLJSJEFUSPZHKP-UHFFFAOYSA-N 1 0 379.460 3.516 20 30 GHEDRO N#CC1(COC(=O)Cn2ccc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847748488 1066029621 /nfs/dbraw/zinc/02/96/21/1066029621.db2.gz ANKVPGZRTZBWBX-UHFFFAOYSA-N 1 0 387.483 3.990 20 30 GHEDRO C[C@H]1C(=O)CC[C@@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000847747957 1066032630 /nfs/dbraw/zinc/03/26/30/1066032630.db2.gz URCMMNLXFJYAJC-ICSRJNTNSA-N 1 0 396.531 3.977 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2scc(C)c2C#N)[NH+]2CCCC2)c1 ZINC001466472939 1066167284 /nfs/dbraw/zinc/16/72/84/1066167284.db2.gz XRKDDMFARFDHRP-GOSISDBHSA-N 1 0 384.505 3.895 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC001466497377 1066172695 /nfs/dbraw/zinc/17/26/95/1066172695.db2.gz MYEKHPFNYWUVGV-ZDUSSCGKSA-N 1 0 379.302 3.563 20 30 GHEDRO N#CCSc1cccc(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC001466570102 1066196679 /nfs/dbraw/zinc/19/66/79/1066196679.db2.gz BUTVQUNEWAJGBN-UHFFFAOYSA-N 1 0 381.501 3.511 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](c1nccs1)C(F)(F)F)C(C)C ZINC001466628663 1066222776 /nfs/dbraw/zinc/22/27/76/1066222776.db2.gz ZYRYIJHEYAIOAV-ZIAGYGMSSA-N 1 0 390.475 3.744 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)ccc1OC ZINC001200460182 1066292617 /nfs/dbraw/zinc/29/26/17/1066292617.db2.gz USEOAXIFDBPKLJ-LJQANCHMSA-N 1 0 391.471 3.518 20 30 GHEDRO COc1cc(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c(F)cc1C#N ZINC001467075692 1067051467 /nfs/dbraw/zinc/05/14/67/1067051467.db2.gz GHCILEUOFAYXMC-HXUWFJFHSA-N 1 0 398.482 3.984 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001467340461 1067237853 /nfs/dbraw/zinc/23/78/53/1067237853.db2.gz OSUJSWQCZSNLTE-KVDXNUTJSA-N 1 0 382.479 3.681 20 30 GHEDRO C#Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC001467403470 1067278641 /nfs/dbraw/zinc/27/86/41/1067278641.db2.gz XPLDFGCABGTOJA-KDURUIRLSA-N 1 0 379.891 3.917 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cc(Cl)cc2c1OCC2)C(C)C ZINC001467660481 1067404844 /nfs/dbraw/zinc/40/48/44/1067404844.db2.gz QBEQLCJRGNKABD-LJQANCHMSA-N 1 0 391.943 3.773 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001467728577 1067439766 /nfs/dbraw/zinc/43/97/66/1067439766.db2.gz MECRXRRREJLVIY-KRWDZBQOSA-N 1 0 383.577 3.624 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001358881077 1067593109 /nfs/dbraw/zinc/59/31/09/1067593109.db2.gz YRSJRGRGVJNDJT-RTBURBONSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC1CC[NH+](C2CC2)CC1 ZINC001358882858 1067594362 /nfs/dbraw/zinc/59/43/62/1067594362.db2.gz IYWGPUHFOUNLDT-INIZCTEOSA-N 1 0 397.954 3.931 20 30 GHEDRO C#CCCCn1c(-c2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001358925904 1067615478 /nfs/dbraw/zinc/61/54/78/1067615478.db2.gz VXGVDCXGGXRIHE-UHFFFAOYSA-N 1 0 379.552 3.917 20 30 GHEDRO C#CCCCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001358931280 1067617835 /nfs/dbraw/zinc/61/78/35/1067617835.db2.gz VOSLLMZWFXGGKO-NRFANRHFSA-N 1 0 393.579 3.759 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+](C(C)C)C(C)C ZINC001358950384 1067626667 /nfs/dbraw/zinc/62/66/67/1067626667.db2.gz IWHOBSWUXYMWKW-UHFFFAOYSA-N 1 0 385.531 3.586 20 30 GHEDRO C#CCN(CC#C)c1nnc([C@@H](C)CC)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358968823 1067630531 /nfs/dbraw/zinc/63/05/31/1067630531.db2.gz ADMWLTORPMGCFN-OALUTQOASA-N 1 0 395.576 3.763 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358985410 1067635961 /nfs/dbraw/zinc/63/59/61/1067635961.db2.gz YAVKLZLFLYNCIT-LEWJYISDSA-N 1 0 383.584 3.909 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001358992735 1067639117 /nfs/dbraw/zinc/63/91/17/1067639117.db2.gz UXDHCGHSTCIHJM-UHFFFAOYSA-N 1 0 395.595 3.767 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)C)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001359000141 1067643325 /nfs/dbraw/zinc/64/33/25/1067643325.db2.gz NBNMWIAHGJQYIA-NRFANRHFSA-N 1 0 379.552 3.772 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCC1 ZINC001359109709 1067688636 /nfs/dbraw/zinc/68/86/36/1067688636.db2.gz LJYCWNMAXIAMAV-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359114471 1067692673 /nfs/dbraw/zinc/69/26/73/1067692673.db2.gz MHULKIWTFTUNKE-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001359114634 1067693466 /nfs/dbraw/zinc/69/34/66/1067693466.db2.gz RPMRMAIJAZBJRN-NRFANRHFSA-N 1 0 381.568 3.808 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COCC)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001359116523 1067695148 /nfs/dbraw/zinc/69/51/48/1067695148.db2.gz OEIKZEVDDLWESO-IBGZPJMESA-N 1 0 397.567 3.664 20 30 GHEDRO C=C(C)COCCn1c(C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359127237 1067699334 /nfs/dbraw/zinc/69/93/34/1067699334.db2.gz LYTFDPSAHSYFBC-DENIHFKCSA-N 1 0 397.567 3.669 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001359145546 1067708059 /nfs/dbraw/zinc/70/80/59/1067708059.db2.gz TVKSJFWGSVCSKG-APWZRJJASA-N 1 0 385.943 3.933 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359147336 1067708702 /nfs/dbraw/zinc/70/87/02/1067708702.db2.gz CIRVOHIKNPOYNV-HNNXBMFYSA-N 1 0 375.879 3.511 20 30 GHEDRO C=C(Br)CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001468376307 1067709139 /nfs/dbraw/zinc/70/91/39/1067709139.db2.gz VESZBTKPUGGGJK-KRWDZBQOSA-N 1 0 380.330 3.591 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001359163054 1067718420 /nfs/dbraw/zinc/71/84/20/1067718420.db2.gz PIGGNBBSMAXWMY-UHFFFAOYSA-N 1 0 388.519 3.629 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccn3C)n2CCCCC[NH+]2CCCC2)CC1 ZINC001359163680 1067719018 /nfs/dbraw/zinc/71/90/18/1067719018.db2.gz NTZOUNUCUFSTQV-UHFFFAOYSA-N 1 0 382.556 3.706 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359164453 1067719755 /nfs/dbraw/zinc/71/97/55/1067719755.db2.gz PLMLJGFZROLDTH-IBGZPJMESA-N 1 0 375.561 3.795 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001359179953 1067740959 /nfs/dbraw/zinc/74/09/59/1067740959.db2.gz MBUAQQOYUGEGOE-OAQYLSRUSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001359183619 1067746219 /nfs/dbraw/zinc/74/62/19/1067746219.db2.gz PTEUVTZFZWMHBF-QYZOEREBSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001359186394 1067751014 /nfs/dbraw/zinc/75/10/14/1067751014.db2.gz FBEBOFGYZZZQQW-GOSISDBHSA-N 1 0 397.571 3.506 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001468596344 1067785072 /nfs/dbraw/zinc/78/50/72/1067785072.db2.gz JRGAWXVUBBMYTE-IBGZPJMESA-N 1 0 389.540 3.657 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC001468646615 1067804683 /nfs/dbraw/zinc/80/46/83/1067804683.db2.gz BDRCIASGYOCZHM-UHFFFAOYSA-N 1 0 380.536 3.852 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccn2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001359237399 1067844293 /nfs/dbraw/zinc/84/42/93/1067844293.db2.gz XKXXBBAJEUYZLU-UHFFFAOYSA-N 1 0 388.519 3.606 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359239865 1067848302 /nfs/dbraw/zinc/84/83/02/1067848302.db2.gz ZFVVFSODKIKHNN-AZUAARDMSA-N 1 0 397.567 3.924 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCCC1)C1CC1 ZINC001359248471 1067889011 /nfs/dbraw/zinc/88/90/11/1067889011.db2.gz PSFZAANTLJSMHP-UHFFFAOYSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849534231 1067900142 /nfs/dbraw/zinc/90/01/42/1067900142.db2.gz HJOYXKZPOREOSB-FGZHOGPDSA-N 1 0 386.584 3.829 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849580893 1067913078 /nfs/dbraw/zinc/91/30/78/1067913078.db2.gz CVKNLSJYHRBRNG-RTWAWAEBSA-N 1 0 380.536 3.946 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)[NH+](C)C ZINC001359262744 1067925614 /nfs/dbraw/zinc/92/56/14/1067925614.db2.gz CPHUAMBWZKEYOW-QGZVFWFLSA-N 1 0 396.564 3.853 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1F ZINC001477899744 1078617787 /nfs/dbraw/zinc/61/77/87/1078617787.db2.gz RPHQSMMKLKVESE-MGPUTAFESA-N 1 0 387.886 3.973 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359270330 1067936864 /nfs/dbraw/zinc/93/68/64/1067936864.db2.gz LEQJJCNQRDIZTF-NRFANRHFSA-N 1 0 390.535 3.945 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359271276 1067938529 /nfs/dbraw/zinc/93/85/29/1067938529.db2.gz PZNUDHLBCYTTAZ-HKUYNNGSSA-N 1 0 385.512 3.594 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359504491 1068075561 /nfs/dbraw/zinc/07/55/61/1068075561.db2.gz VQAWAWQGFVYNRU-UHFFFAOYSA-N 1 0 386.588 3.970 20 30 GHEDRO CC(C)(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001359537210 1068089841 /nfs/dbraw/zinc/08/98/41/1068089841.db2.gz OLZJKAZQECPQNF-UHFFFAOYSA-N 1 0 398.555 3.690 20 30 GHEDRO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCCC1 ZINC001359661141 1068121106 /nfs/dbraw/zinc/12/11/06/1068121106.db2.gz DMXAOLTWPCBPTK-UGKGYDQZSA-N 1 0 384.572 3.796 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001469498555 1068192760 /nfs/dbraw/zinc/19/27/60/1068192760.db2.gz BFKAKRXYYREHSC-PKTZIBPZSA-N 1 0 375.516 3.712 20 30 GHEDRO C#CCN(C(=O)N[C@@H](CC)Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001478018896 1078674435 /nfs/dbraw/zinc/67/44/35/1078674435.db2.gz QRCXBKKSYXOHPE-KRWDZBQOSA-N 1 0 395.469 3.766 20 30 GHEDRO C#CCN(C(=O)N[C@H](CC)Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001478018897 1078674541 /nfs/dbraw/zinc/67/45/41/1078674541.db2.gz QRCXBKKSYXOHPE-QGZVFWFLSA-N 1 0 395.469 3.766 20 30 GHEDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001360078338 1068345782 /nfs/dbraw/zinc/34/57/82/1068345782.db2.gz RIEKTTWHAVHJLX-UHFFFAOYSA-N 1 0 378.516 3.517 20 30 GHEDRO C#CCN(C(=O)NCC[N@@H+](CC)CCC(F)(F)F)[C@@H]1CCCc2ccccc21 ZINC001469769083 1068373916 /nfs/dbraw/zinc/37/39/16/1068373916.db2.gz RBQURPKQVVDUQK-LJQANCHMSA-N 1 0 395.469 3.983 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC=CCC2)C1 ZINC001360140222 1068383287 /nfs/dbraw/zinc/38/32/87/1068383287.db2.gz ZPIAGTPEUAIGAC-FQEVSTJZSA-N 1 0 390.535 3.703 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc(Cl)c(C#N)c3)CCCCC2)CCO1 ZINC001360217250 1068414777 /nfs/dbraw/zinc/41/47/77/1068414777.db2.gz BNJZXBZSFGFTMR-UHFFFAOYSA-N 1 0 389.927 3.755 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC001469948250 1068485593 /nfs/dbraw/zinc/48/55/93/1068485593.db2.gz UUTHBIHYVSCXQP-IBGZPJMESA-N 1 0 382.895 3.594 20 30 GHEDRO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001360537237 1068548907 /nfs/dbraw/zinc/54/89/07/1068548907.db2.gz ZNPFOWFDFKIJCL-MRXNPFEDSA-N 1 0 392.507 3.771 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC001478234318 1078777558 /nfs/dbraw/zinc/77/75/58/1078777558.db2.gz SEIUSSXYWCYHHU-CABCVRRESA-N 1 0 381.442 3.594 20 30 GHEDRO Cc1ccccc1[C@@H](C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC(C)C ZINC001460088597 1068775302 /nfs/dbraw/zinc/77/53/02/1068775302.db2.gz KJDXCSTVLKLLAU-GGAORHGYSA-N 1 0 398.595 3.706 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)cc1 ZINC001460138911 1068805494 /nfs/dbraw/zinc/80/54/94/1068805494.db2.gz XUNADWRMWSNDDF-NRFANRHFSA-N 1 0 376.500 3.960 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC001460312708 1068920002 /nfs/dbraw/zinc/92/00/02/1068920002.db2.gz YYHLBOQYXWVIBR-KNQAVFIVSA-N 1 0 385.511 3.761 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC001460391998 1068951447 /nfs/dbraw/zinc/95/14/47/1068951447.db2.gz TZKQPILGKYXIMY-INIZCTEOSA-N 1 0 385.508 3.719 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)COc2cccc(C#N)c2)[NH+](CC)CC)cc1 ZINC001460556138 1068995416 /nfs/dbraw/zinc/99/54/16/1068995416.db2.gz NNFMXKJPPFJURP-QFIPXVFZSA-N 1 0 379.504 3.699 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)cc1Cl ZINC001460631584 1069042493 /nfs/dbraw/zinc/04/24/93/1069042493.db2.gz FFLQFHARRLQXCL-OAHLLOKOSA-N 1 0 393.878 3.906 20 30 GHEDRO CC(C)(C#N)CNC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001478412771 1078857453 /nfs/dbraw/zinc/85/74/53/1078857453.db2.gz IQMWGHOHUBAJJI-XUZZJYLKSA-N 1 0 390.531 3.894 20 30 GHEDRO C#C[C@H](NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccc(Cl)cc1 ZINC001460793453 1069183365 /nfs/dbraw/zinc/18/33/65/1069183365.db2.gz RHONRAZWTKLCST-QFIPXVFZSA-N 1 0 395.934 3.975 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)CCOCC1 ZINC001460803284 1069191170 /nfs/dbraw/zinc/19/11/70/1069191170.db2.gz UVBSRHMBLULXSN-UHFFFAOYSA-N 1 0 397.544 3.863 20 30 GHEDRO C=C(Br)CN1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460880841 1069249439 /nfs/dbraw/zinc/24/94/39/1069249439.db2.gz RCHRQRZSLAKPKR-AWEZNQCLSA-N 1 0 375.104 3.641 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)C1 ZINC001460950402 1069293485 /nfs/dbraw/zinc/29/34/85/1069293485.db2.gz QJCAPIMWYZJRMV-REWPJTCUSA-N 1 0 399.535 3.847 20 30 GHEDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C[C@@]2(C)C1 ZINC001470673196 1072681863 /nfs/dbraw/zinc/68/18/63/1072681863.db2.gz BIWWVLSXCPMREE-PSWAGMNNSA-N 1 0 389.499 3.551 20 30 GHEDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccccc3Oc3ccccc3C#N)C[C@@]2(C)C1 ZINC001470675594 1072682734 /nfs/dbraw/zinc/68/27/34/1072682734.db2.gz TUENWZWXNIFNKA-DHIUTWEWSA-N 1 0 375.472 3.764 20 30 GHEDRO C[C@@]12CN(C(=O)c3cc(F)c(C#N)c(F)c3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001470774634 1072730843 /nfs/dbraw/zinc/73/08/43/1072730843.db2.gz BBVSHFTUFAZXEE-DHIUTWEWSA-N 1 0 395.453 3.821 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCCc1ccc(C#N)cc1 ZINC001470785519 1072738961 /nfs/dbraw/zinc/73/89/61/1072738961.db2.gz FJCVAKBIKPHZJV-UHFFFAOYSA-N 1 0 378.520 3.654 20 30 GHEDRO CC(C)[NH+]1CCC(CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC001470948825 1072840408 /nfs/dbraw/zinc/84/04/08/1072840408.db2.gz KJOWLWSCYBIPKV-YADHBBJMSA-N 1 0 382.552 3.978 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001471542461 1073123469 /nfs/dbraw/zinc/12/34/69/1073123469.db2.gz BIHDTPJOMLUOTF-QFIPXVFZSA-N 1 0 380.536 3.753 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 ZINC001471938533 1073271370 /nfs/dbraw/zinc/27/13/70/1073271370.db2.gz PRQYKPZUEIFROB-UHFFFAOYSA-N 1 0 381.526 3.852 20 30 GHEDRO O=C(NCC#C[C@H]1CCCCO1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001472311543 1073414699 /nfs/dbraw/zinc/41/46/99/1073414699.db2.gz GXIRXGMAGLVWRL-TZRRMPRUSA-N 1 0 394.559 3.614 20 30 GHEDRO Cc1cccc([C@@H]2CCCC[N@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1C ZINC001473184650 1073840449 /nfs/dbraw/zinc/84/04/49/1073840449.db2.gz ALWCPIHRCKNRMA-XZOQPEGZSA-N 1 0 396.579 3.523 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(C)(C)C ZINC001473335774 1073926082 /nfs/dbraw/zinc/92/60/82/1073926082.db2.gz KLZGDSDVNXNGDX-IFMALSPDSA-N 1 0 396.531 3.998 20 30 GHEDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C(C)C ZINC001473411394 1073954027 /nfs/dbraw/zinc/95/40/27/1073954027.db2.gz YXENOAPWJWHHBY-QFIPXVFZSA-N 1 0 387.524 3.508 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCSC[C@H](C)C3)sc2C1 ZINC001473446820 1073967214 /nfs/dbraw/zinc/96/72/14/1073967214.db2.gz UOCGTVYDFNEHHU-ZIAGYGMSSA-N 1 0 377.579 3.758 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1 ZINC001473581174 1074028874 /nfs/dbraw/zinc/02/88/74/1074028874.db2.gz JLNXDWISFGELFE-LJQANCHMSA-N 1 0 389.499 3.921 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001473637907 1074061512 /nfs/dbraw/zinc/06/15/12/1074061512.db2.gz MQLFBOINZNWFAY-BBRMVZONSA-N 1 0 398.288 3.954 20 30 GHEDRO CC(C)[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001473645805 1074064311 /nfs/dbraw/zinc/06/43/11/1074064311.db2.gz NLBGBSLVESXDMW-JOCHJYFZSA-N 1 0 378.476 3.809 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC001473679422 1074081762 /nfs/dbraw/zinc/08/17/62/1074081762.db2.gz QYPZQMOEPKDPPE-NFBKMPQASA-N 1 0 390.531 3.841 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)cc1Cl ZINC001473701192 1074095151 /nfs/dbraw/zinc/09/51/51/1074095151.db2.gz CYZAQGXEYFYKKY-PZJWPPBQSA-N 1 0 383.879 3.738 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C(C)(C)O)CC3)sc2C1 ZINC001473725043 1074108721 /nfs/dbraw/zinc/10/87/21/1074108721.db2.gz ZDSIRLBYPAEADB-CQSZACIVSA-N 1 0 389.565 3.556 20 30 GHEDRO Cc1cc(C[NH2+]CCc2ccc(I)cc2)ccc1C#N ZINC001474220847 1074298829 /nfs/dbraw/zinc/29/88/29/1074298829.db2.gz RMELJICNRXCYQR-UHFFFAOYSA-N 1 0 376.241 3.804 20 30 GHEDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC001474226567 1074300046 /nfs/dbraw/zinc/30/00/46/1074300046.db2.gz HIIVTTPOSANOPS-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cc1OC ZINC001474273617 1074319959 /nfs/dbraw/zinc/31/99/59/1074319959.db2.gz VCAKUMZCFRMHDT-PTSWNOGYSA-N 1 0 381.900 3.730 20 30 GHEDRO CCOP(=O)(CCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)OCC ZINC001474481469 1074425732 /nfs/dbraw/zinc/42/57/32/1074425732.db2.gz WRGURUQUBGCZJW-UHFFFAOYSA-N 1 0 399.859 3.990 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC001474751762 1074545295 /nfs/dbraw/zinc/54/52/95/1074545295.db2.gz FGOVKLHSESLRBP-QFIPXVFZSA-N 1 0 387.487 3.822 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001493696971 1079288161 /nfs/dbraw/zinc/28/81/61/1079288161.db2.gz LVOBJCBWQTXBFE-OALUTQOASA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@@H](Cn1c(N(CCC#N)CC2CC2)nnc1C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC001493712607 1079289055 /nfs/dbraw/zinc/28/90/55/1079289055.db2.gz JMEUSKLCTHEVBB-ROUUACIJSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001493919679 1079308547 /nfs/dbraw/zinc/30/85/47/1079308547.db2.gz DCIILLDMOMAJET-MOPGFXCFSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCOc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001476034071 1075072429 /nfs/dbraw/zinc/07/24/29/1075072429.db2.gz XGGSPUIFNRDXIZ-OAQYLSRUSA-N 1 0 382.508 3.742 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](C4CCC4)CC3)cc2)nc1 ZINC001476056490 1075076451 /nfs/dbraw/zinc/07/64/51/1075076451.db2.gz FIFKHHSOCYDBNU-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 ZINC001476307494 1075121767 /nfs/dbraw/zinc/12/17/67/1075121767.db2.gz ULYDRGCVMGOBJK-FQEVSTJZSA-N 1 0 396.491 3.778 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001496122017 1079456776 /nfs/dbraw/zinc/45/67/76/1079456776.db2.gz HFPLSWYQKPZGJT-KSZLIROESA-N 1 0 380.540 3.639 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001496144102 1079457910 /nfs/dbraw/zinc/45/79/10/1079457910.db2.gz UVDWAUSHBVMAIW-SFHVURJKSA-N 1 0 380.540 3.805 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)CC#N)[NH+](C)C ZINC001496658924 1079477336 /nfs/dbraw/zinc/47/73/36/1079477336.db2.gz DMFQKXWFYIDUMA-SJLPKXTDSA-N 1 0 376.593 3.971 20 30 GHEDRO CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C1 ZINC001497544137 1079502416 /nfs/dbraw/zinc/50/24/16/1079502416.db2.gz WTHJOVQKBORIOS-JOCHJYFZSA-N 1 0 378.524 3.539 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001497892838 1079524590 /nfs/dbraw/zinc/52/45/90/1079524590.db2.gz OJIRLDGSWYWHGV-NRFANRHFSA-N 1 0 392.551 3.588 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164415037 718880498 /nfs/dbraw/zinc/88/04/98/718880498.db2.gz ZFKUMKYGSIVEOM-NSHDSACASA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164414404 718880560 /nfs/dbraw/zinc/88/05/60/718880560.db2.gz SMJFHKXCRPXGRT-LBPRGKRZSA-N 1 0 394.775 3.805 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164627521 719046240 /nfs/dbraw/zinc/04/62/40/719046240.db2.gz VSUMGSDHWWVZPE-LPHOPBHVSA-N 1 0 388.849 3.735 20 30 GHEDRO C=CC[NH+]1CCN(c2nc(-c3ccc(OC)cc3)nc3ccc(F)cc32)CC1 ZINC001165031831 721865555 /nfs/dbraw/zinc/86/55/55/721865555.db2.gz XFPGJELIIYPCIW-UHFFFAOYSA-N 1 0 378.451 3.753 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CCCCC1 ZINC000177995396 837533156 /nfs/dbraw/zinc/53/31/56/837533156.db2.gz RIEPRGIERDVWEG-RTWAWAEBSA-N 1 0 383.536 3.697 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000613302170 837554425 /nfs/dbraw/zinc/55/44/25/837554425.db2.gz NYIHTRZYXQJXEV-UHFFFAOYSA-N 1 0 378.476 3.601 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1cnc2ccc(C#N)cn12 ZINC000180880770 837607481 /nfs/dbraw/zinc/60/74/81/837607481.db2.gz ZHAMGMKMMMQEBP-UHFFFAOYSA-N 1 0 377.517 3.675 20 30 GHEDRO CCC(CC)(CNC(=O)Nc1ccn(CCC#N)n1)[NH2+][C@H](C)c1ccccc1 ZINC000173370029 837711604 /nfs/dbraw/zinc/71/16/04/837711604.db2.gz MLXVALLZBOMJIK-QGZVFWFLSA-N 1 0 382.512 3.828 20 30 GHEDRO N=c1cc(C[NH3+])ccn1-c1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001167693446 837721001 /nfs/dbraw/zinc/72/10/01/837721001.db2.gz OCUFKYWNJBKBSK-UHFFFAOYSA-N 1 0 379.467 3.980 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000177066398 837743186 /nfs/dbraw/zinc/74/31/86/837743186.db2.gz BXKXWAZGHWJXIN-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1NC(=O)OC(C)(C)C ZINC000160145334 834351358 /nfs/dbraw/zinc/35/13/58/834351358.db2.gz ROEOUCNXDBPZTK-UHFFFAOYSA-N 1 0 388.512 3.650 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000579717743 834429845 /nfs/dbraw/zinc/42/98/45/834429845.db2.gz JBHZVRHFFDOZGK-UHFFFAOYSA-N 1 0 386.569 3.597 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000329167494 834498486 /nfs/dbraw/zinc/49/84/86/834498486.db2.gz IOCILDAIPWJSGE-QGZVFWFLSA-N 1 0 395.956 3.686 20 30 GHEDRO C[NH+](C)C1(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000616341938 834508821 /nfs/dbraw/zinc/50/88/21/834508821.db2.gz UAGLGRCBRXRTQP-UHFFFAOYSA-N 1 0 386.311 3.800 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000610178042 834527687 /nfs/dbraw/zinc/52/76/87/834527687.db2.gz MDNXCJKLSXRVLW-JXFKEZNVSA-N 1 0 381.476 3.533 20 30 GHEDRO Cc1cc(C)cc(OCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278763879 834552459 /nfs/dbraw/zinc/55/24/59/834552459.db2.gz XNNJVTGQEZPJPY-UHFFFAOYSA-N 1 0 375.476 3.644 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000579770100 834614481 /nfs/dbraw/zinc/61/44/81/834614481.db2.gz ZJBLMIZDBRMFSJ-CQSZACIVSA-N 1 0 388.418 3.802 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278771929 834639191 /nfs/dbraw/zinc/63/91/91/834639191.db2.gz YHDZBPCBSOJMBG-YADHBBJMSA-N 1 0 387.487 3.869 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245873177 834749675 /nfs/dbraw/zinc/74/96/75/834749675.db2.gz JRAKIUNULOHSGW-TYPHKJRUSA-N 1 0 378.605 3.710 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000138959178 834752376 /nfs/dbraw/zinc/75/23/76/834752376.db2.gz YBDWVMMMNJSUSW-QGZVFWFLSA-N 1 0 395.528 3.822 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278347222 834762873 /nfs/dbraw/zinc/76/28/73/834762873.db2.gz YLJVWBUOAUPUJP-HSZRJFAPSA-N 1 0 379.504 3.510 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cc2)cc1 ZINC000583740451 834967872 /nfs/dbraw/zinc/96/78/72/834967872.db2.gz KQPHIOURMHDSDB-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)CC1 ZINC000187695421 835027362 /nfs/dbraw/zinc/02/73/62/835027362.db2.gz RUSWUCDOSGUBGS-OAHLLOKOSA-N 1 0 377.357 3.518 20 30 GHEDRO COC(=O)c1cccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c1C#N ZINC000611935307 835077860 /nfs/dbraw/zinc/07/78/60/835077860.db2.gz PWMVPCSUHXHQKR-JOCHJYFZSA-N 1 0 377.488 3.662 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000685533701 835124976 /nfs/dbraw/zinc/12/49/76/835124976.db2.gz JKMIUMIRMIOJJB-IBGZPJMESA-N 1 0 388.519 3.545 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000157942441 835151412 /nfs/dbraw/zinc/15/14/12/835151412.db2.gz YXBKXICNKXGZEF-VQIMIIECSA-N 1 0 398.466 3.722 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000685550044 835151621 /nfs/dbraw/zinc/15/16/21/835151621.db2.gz MNWNTNQFZVSRRW-SFHVURJKSA-N 1 0 399.539 3.535 20 30 GHEDRO N#Cc1cc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc(N)c1[N+](=O)[O-] ZINC000583860387 835158261 /nfs/dbraw/zinc/15/82/61/835158261.db2.gz NZYYYUXQIPWMLC-UHFFFAOYSA-N 1 0 387.443 3.524 20 30 GHEDRO CC(C)(C)OC1CC(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433333412 844023394 /nfs/dbraw/zinc/02/33/94/844023394.db2.gz HAZYSQCVDIGILO-UHFFFAOYSA-N 1 0 381.524 3.932 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NC(C1CC1)C1CC1)[n+]1ccc(C)cc1 ZINC000274784404 835249356 /nfs/dbraw/zinc/24/93/56/835249356.db2.gz OMFKAQVSPJIHNR-UHFFFAOYSA-O 1 0 384.525 3.604 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000181859796 835260230 /nfs/dbraw/zinc/26/02/30/835260230.db2.gz WQLIFRJOAFYAAD-OAQYLSRUSA-N 1 0 395.503 3.530 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000154174628 835280380 /nfs/dbraw/zinc/28/03/80/835280380.db2.gz HXWOPNNAVTYEIJ-QGZVFWFLSA-N 1 0 383.442 3.821 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000052712506 835304823 /nfs/dbraw/zinc/30/48/23/835304823.db2.gz LTQPFDYBQRSWIK-MRXNPFEDSA-N 1 0 385.489 3.500 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)c(C#N)c1C ZINC000052713779 835305134 /nfs/dbraw/zinc/30/51/34/835305134.db2.gz AHLYUPPNQOXSHW-QGZVFWFLSA-N 1 0 386.540 3.683 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cccc(C#N)c2C)ccc1OC ZINC000509859954 844043680 /nfs/dbraw/zinc/04/36/80/844043680.db2.gz MGMFBJDAHXJDTC-UHFFFAOYSA-N 1 0 381.476 3.848 20 30 GHEDRO COc1cccc(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278555528 835387710 /nfs/dbraw/zinc/38/77/10/835387710.db2.gz BZAXFCYMVLEFIY-UHFFFAOYSA-N 1 0 375.476 3.590 20 30 GHEDRO CCc1nc(CN2CCC(CNC(=O)/C=C\c3ccccc3C#N)CC2)cs1 ZINC000254963879 835415521 /nfs/dbraw/zinc/41/55/21/835415521.db2.gz GKRUGWIRAIYDTF-FPLPWBNLSA-N 1 0 394.544 3.619 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433365930 844054534 /nfs/dbraw/zinc/05/45/34/844054534.db2.gz QVZKTVJYNGTTIT-XZOQPEGZSA-N 1 0 375.516 3.739 20 30 GHEDRO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000500843596 844055862 /nfs/dbraw/zinc/05/58/62/844055862.db2.gz VZONEMMARBBNAR-FHSNZYRGSA-N 1 0 375.394 3.885 20 30 GHEDRO COc1cc(Br)ccc1CCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000612106713 835495176 /nfs/dbraw/zinc/49/51/76/835495176.db2.gz HHXAJGWJWUTDEY-SFHVURJKSA-N 1 0 394.357 3.556 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)COCc1ccccc1 ZINC000278595029 835509969 /nfs/dbraw/zinc/50/99/69/835509969.db2.gz HIUZOSZHUKXBTB-IBGZPJMESA-N 1 0 389.503 3.801 20 30 GHEDRO COc1ccc(NC(=O)CC[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1Cl ZINC000548865354 835541051 /nfs/dbraw/zinc/54/10/51/835541051.db2.gz CWZOTQJTTHKLAF-UHFFFAOYSA-N 1 0 398.894 3.630 20 30 GHEDRO Cc1cccc(O[C@@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278612354 835546202 /nfs/dbraw/zinc/54/62/02/835546202.db2.gz IWBPGMJCFZYPHZ-SFHVURJKSA-N 1 0 375.476 3.724 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1OC ZINC000254990800 835556240 /nfs/dbraw/zinc/55/62/40/835556240.db2.gz DXZHMFCZRAGJHC-DFVCPEPASA-N 1 0 384.520 3.747 20 30 GHEDRO COc1cccc(CC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000612123293 835559594 /nfs/dbraw/zinc/55/95/94/835559594.db2.gz SISCLEBAFWCHFL-UHFFFAOYSA-N 1 0 383.517 3.912 20 30 GHEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000584117238 835658637 /nfs/dbraw/zinc/65/86/37/835658637.db2.gz ZJXOFZBIWLZHOX-RHSMWYFYSA-N 1 0 377.554 3.604 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@@H]2CCCCO2)c1 ZINC000134185700 835699907 /nfs/dbraw/zinc/69/99/07/835699907.db2.gz OGJLFVZLOWSAOG-FQEVSTJZSA-O 1 0 397.564 3.997 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000245955354 835736884 /nfs/dbraw/zinc/73/68/84/835736884.db2.gz CPSPCUJFIFNCTD-FYYLOGMGSA-N 1 0 388.515 3.851 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000246825062 835748965 /nfs/dbraw/zinc/74/89/65/835748965.db2.gz AVUKLJJTJCYBCI-ZWKOTPCHSA-N 1 0 398.551 3.621 20 30 GHEDRO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000518709422 844100333 /nfs/dbraw/zinc/10/03/33/844100333.db2.gz WZIWAINVLFQCCP-RBBKRZOGSA-N 1 0 390.531 3.972 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000179663588 835931726 /nfs/dbraw/zinc/93/17/26/835931726.db2.gz UOMGJFLEBPSGHD-UHFFFAOYSA-N 1 0 399.878 3.777 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCSC1 ZINC000480256294 835947606 /nfs/dbraw/zinc/94/76/06/835947606.db2.gz ADKSWCMZQJDWHE-OAQYLSRUSA-N 1 0 397.569 3.877 20 30 GHEDRO CS(=O)(=O)C1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCCC1 ZINC000513021331 844107521 /nfs/dbraw/zinc/10/75/21/844107521.db2.gz BHXSMLSGCDCXCR-UHFFFAOYSA-N 1 0 398.528 3.584 20 30 GHEDRO C=CCC1(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCCC1 ZINC000658723673 835953910 /nfs/dbraw/zinc/95/39/10/835953910.db2.gz UFAQYXUCPCDGMJ-GOSISDBHSA-N 1 0 383.536 3.862 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cc(Cl)cs1 ZINC000134768201 835959870 /nfs/dbraw/zinc/95/98/70/835959870.db2.gz VNTLTHLXGUKLMG-UHFFFAOYSA-N 1 0 375.925 3.796 20 30 GHEDRO C[C@@](CO)([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000471229111 836039456 /nfs/dbraw/zinc/03/94/56/836039456.db2.gz SPEKCPVIYNHPJD-NRFANRHFSA-N 1 0 389.565 3.748 20 30 GHEDRO C=CCCC[N@H+]1CC2(C[C@H]1C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC2 ZINC001209157458 836072929 /nfs/dbraw/zinc/07/29/29/836072929.db2.gz WHLUZMGHDLVOSN-KRWDZBQOSA-N 1 0 380.529 3.607 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)CC1 ZINC000154937820 836181856 /nfs/dbraw/zinc/18/18/56/836181856.db2.gz LJWFQRAYUBAUED-KRWDZBQOSA-N 1 0 385.430 3.638 20 30 GHEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1OC(C)C ZINC000065931321 836252778 /nfs/dbraw/zinc/25/27/78/836252778.db2.gz NQXACXDVISKTLL-UHFFFAOYSA-N 1 0 395.503 3.558 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000065931237 836255101 /nfs/dbraw/zinc/25/51/01/836255101.db2.gz WOBTZDGMTJEIIG-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613389523 836271534 /nfs/dbraw/zinc/27/15/34/836271534.db2.gz NICVDIHRFPUZJW-UWVAXJGDSA-N 1 0 397.544 3.631 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cccc(OCC(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180173155 836465929 /nfs/dbraw/zinc/46/59/29/836465929.db2.gz KZHNRYFWXSHHKX-UHFFFAOYSA-N 1 0 382.414 3.892 20 30 GHEDRO C=CCCCCC[NH+]1CCC(c2cc3c(ncn3C)c(N(C)CCOC)n2)CC1 ZINC001209422790 836500984 /nfs/dbraw/zinc/50/09/84/836500984.db2.gz IJPGSGWEAAPXOT-UHFFFAOYSA-N 1 0 399.583 3.977 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000255869103 836616615 /nfs/dbraw/zinc/61/66/15/836616615.db2.gz FSODMGMAPAUXTF-UHFFFAOYSA-N 1 0 394.519 3.697 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(N4CCCNC4=O)c3)CC2)cc1 ZINC000180011235 836618927 /nfs/dbraw/zinc/61/89/27/836618927.db2.gz QRSORRFZHKXAOS-UHFFFAOYSA-N 1 0 389.503 3.554 20 30 GHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000248875735 836651514 /nfs/dbraw/zinc/65/15/14/836651514.db2.gz QZZXWQCTVBFQEY-FHLIZLRMSA-N 1 0 379.426 3.868 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2ncccc2OCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000188688314 844196405 /nfs/dbraw/zinc/19/64/05/844196405.db2.gz ONXNLORESOXELN-HKUYNNGSSA-N 1 0 393.491 3.549 20 30 GHEDRO Cc1ccc(Cl)c(-c2noc([C@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)c1 ZINC001211640300 836751777 /nfs/dbraw/zinc/75/17/77/836751777.db2.gz GVNLPTZSMYBYBK-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(OCC#N)cc1 ZINC000376073596 836756988 /nfs/dbraw/zinc/75/69/88/836756988.db2.gz GEDKWPCOURHKFT-AWEZNQCLSA-N 1 0 386.883 3.526 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H](C)C1 ZINC000610782408 844208108 /nfs/dbraw/zinc/20/81/08/844208108.db2.gz HEEVFVOKEZMERI-UZLBHIALSA-N 1 0 393.491 3.940 20 30 GHEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000782655219 836881249 /nfs/dbraw/zinc/88/12/49/836881249.db2.gz RYDCFCHFVQIMTK-DZGCQCFKSA-N 1 0 376.382 3.790 20 30 GHEDRO C=C[C@@H](CC)CC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001125329211 836899825 /nfs/dbraw/zinc/89/98/25/836899825.db2.gz LLHCNFXKQJFLPM-IBGZPJMESA-N 1 0 378.520 3.945 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000170949079 837002761 /nfs/dbraw/zinc/00/27/61/837002761.db2.gz YCLLRPFLIFAFQT-OAQYLSRUSA-N 1 0 386.442 3.852 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccccc2)c(C)c(C)c1C ZINC000027070800 837025817 /nfs/dbraw/zinc/02/58/17/837025817.db2.gz XXKOUCFISGCAEV-IBGZPJMESA-O 1 0 397.564 3.915 20 30 GHEDRO C[C@H](C[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000782785693 837105599 /nfs/dbraw/zinc/10/55/99/837105599.db2.gz ZWEPVTQTDAMEDX-JKSUJKDBSA-N 1 0 397.523 3.740 20 30 GHEDRO COc1ccccc1OC[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351721 837169164 /nfs/dbraw/zinc/16/91/64/837169164.db2.gz TUDRYOMPMVWMGC-KRWDZBQOSA-N 1 0 390.487 3.772 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000547856282 837280014 /nfs/dbraw/zinc/28/00/14/837280014.db2.gz ICKYQOMRUPBSDY-INIZCTEOSA-N 1 0 384.446 3.608 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000580273252 837325129 /nfs/dbraw/zinc/32/51/29/837325129.db2.gz UWRDGHGYUSLUBO-SFHVURJKSA-N 1 0 398.894 3.624 20 30 GHEDRO COC(=O)[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000176780095 837837512 /nfs/dbraw/zinc/83/75/12/837837512.db2.gz DYXJUNBEZHIBIJ-WVUPVLJSSA-N 1 0 389.499 3.558 20 30 GHEDRO Clc1ccc(-c2nnc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000255106401 837859418 /nfs/dbraw/zinc/85/94/18/837859418.db2.gz QSWIUCOZDZIMEO-UHFFFAOYSA-N 1 0 398.850 3.777 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000181285237 837930333 /nfs/dbraw/zinc/93/03/33/837930333.db2.gz MYJVYMYBKIVLKK-KRWDZBQOSA-N 1 0 391.496 3.745 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000177565580 837970685 /nfs/dbraw/zinc/97/06/85/837970685.db2.gz QEGAEOZLEJYQDM-NHCUHLMSSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000415705357 838006512 /nfs/dbraw/zinc/00/65/12/838006512.db2.gz TXKUPIBCLREDIJ-MAUKXSAKSA-N 1 0 394.523 3.633 20 30 GHEDRO CCCN(C(=O)c1cc(O)cc(C#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000614368431 844300519 /nfs/dbraw/zinc/30/05/19/844300519.db2.gz OWWTYQUMUKEROJ-OAQYLSRUSA-N 1 0 377.488 3.781 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000579982769 838266895 /nfs/dbraw/zinc/26/68/95/838266895.db2.gz VAHIVBMVRXQKRH-UHFFFAOYSA-N 1 0 395.551 3.806 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Oc2ccccc2)cc1 ZINC000255131937 838295050 /nfs/dbraw/zinc/29/50/50/838295050.db2.gz XKRGDRYWHIHHFH-YWBAYFEHSA-N 1 0 377.444 3.656 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)c1 ZINC000782907089 838355343 /nfs/dbraw/zinc/35/53/43/838355343.db2.gz NRUYUYATBZKKAO-IBGZPJMESA-N 1 0 380.492 3.793 20 30 GHEDRO C[C@H](OC[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000376595678 838415245 /nfs/dbraw/zinc/41/52/45/838415245.db2.gz PWCQBMZJCIBRIW-FXAWDEMLSA-N 1 0 399.922 3.731 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cccc(F)c2C#N)ccc1OC ZINC000187320228 838419653 /nfs/dbraw/zinc/41/96/53/838419653.db2.gz QJPOKGGZYRZJOT-UHFFFAOYSA-N 1 0 385.439 3.679 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189886656 838438838 /nfs/dbraw/zinc/43/88/38/838438838.db2.gz SALUMDSSXARXCI-HTAPYJJXSA-N 1 0 385.471 3.590 20 30 GHEDRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000610342891 838567640 /nfs/dbraw/zinc/56/76/40/838567640.db2.gz FSKMKRCSSURDRH-OAHLLOKOSA-N 1 0 388.581 3.678 20 30 GHEDRO C[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000610351978 838631008 /nfs/dbraw/zinc/63/10/08/838631008.db2.gz YGQFEPORNDVUSS-SFHVURJKSA-N 1 0 392.503 3.593 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000416151242 838638333 /nfs/dbraw/zinc/63/83/33/838638333.db2.gz OWPVXFKKLNHWIR-JOCHJYFZSA-N 1 0 377.488 3.621 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000549117976 838664503 /nfs/dbraw/zinc/66/45/03/838664503.db2.gz PIAPDZDBLARWTB-GBESFXJTSA-N 1 0 393.934 3.770 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000893195055 838784367 /nfs/dbraw/zinc/78/43/67/838784367.db2.gz QZHOTRLENNVCSD-HXUWFJFHSA-N 1 0 389.499 3.893 20 30 GHEDRO NC(=NOCc1nnc(-c2ccccc2)o1)c1ccccc1C[NH+]1CCCCC1 ZINC000171233639 838806877 /nfs/dbraw/zinc/80/68/77/838806877.db2.gz UFHGGLZZMFZROG-UHFFFAOYSA-N 1 0 391.475 3.560 20 30 GHEDRO Cc1csc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1C#N ZINC000580089990 838840490 /nfs/dbraw/zinc/84/04/90/838840490.db2.gz HJQBQTWRPHOAEM-UHFFFAOYSA-N 1 0 378.448 3.802 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376940553 838848361 /nfs/dbraw/zinc/84/83/61/838848361.db2.gz UYBFZEMUZDIZTH-HKUYNNGSSA-N 1 0 376.504 3.879 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000580105909 838879964 /nfs/dbraw/zinc/87/99/64/838879964.db2.gz ZMZZMPJJTOSUCH-BHIYHBOVSA-N 1 0 383.517 3.889 20 30 GHEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(F)c(F)c(F)c1F ZINC000376971526 838880603 /nfs/dbraw/zinc/88/06/03/838880603.db2.gz KURIOIPWVZVZTF-UHFFFAOYSA-N 1 0 398.322 3.778 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C2 ZINC000579474315 839001202 /nfs/dbraw/zinc/00/12/02/839001202.db2.gz QUTGQZZNUQSHNI-KKXDTOCCSA-N 1 0 389.425 3.741 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3csc(C(F)(F)F)n3)CC2)nc1 ZINC000893221865 839015074 /nfs/dbraw/zinc/01/50/74/839015074.db2.gz QRVXQMYKHKJXCS-UHFFFAOYSA-N 1 0 382.411 3.908 20 30 GHEDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000182382051 839053162 /nfs/dbraw/zinc/05/31/62/839053162.db2.gz ZZZINBHUWRGYOU-KRWDZBQOSA-N 1 0 381.476 3.615 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000610400207 839062900 /nfs/dbraw/zinc/06/29/00/839062900.db2.gz WESQTMYWWCNVIE-JTSKRJEESA-N 1 0 392.503 3.764 20 30 GHEDRO C=CCOc1cccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)c1 ZINC000415016676 839064888 /nfs/dbraw/zinc/06/48/88/839064888.db2.gz QGMDACWJOLRYBZ-SFTDATJTSA-N 1 0 381.476 3.527 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000378424460 839091684 /nfs/dbraw/zinc/09/16/84/839091684.db2.gz DXPCPWDFKMGQPI-CQSZACIVSA-N 1 0 394.910 3.813 20 30 GHEDRO CCOc1ccc2nc(NC(=O)C[NH2+][C@H](C)c3ccc(C#N)cc3)sc2c1 ZINC000549171602 839148222 /nfs/dbraw/zinc/14/82/22/839148222.db2.gz HLQNHZQVECBCCD-CYBMUJFWSA-N 1 0 380.473 3.856 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000415079057 839174064 /nfs/dbraw/zinc/17/40/64/839174064.db2.gz HCNXAZKHLCOQIG-UHFFFAOYSA-N 1 0 380.448 3.751 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415091404 839183215 /nfs/dbraw/zinc/18/32/15/839183215.db2.gz ZBWQOFMAERGKEK-LJQANCHMSA-N 1 0 394.475 3.998 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CSc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378480059 839189894 /nfs/dbraw/zinc/18/98/94/839189894.db2.gz DTOFTHWSTZBUII-IBGZPJMESA-N 1 0 377.513 3.550 20 30 GHEDRO CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610430663 839309562 /nfs/dbraw/zinc/30/95/62/839309562.db2.gz HAUFKUSQLSJHON-OAQYLSRUSA-N 1 0 386.499 3.901 20 30 GHEDRO C=CC[C@@H]1N(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCC1(C)C ZINC000415196126 839368088 /nfs/dbraw/zinc/36/80/88/839368088.db2.gz QRGYJOXCQHLTGT-INIZCTEOSA-N 1 0 397.441 3.696 20 30 GHEDRO CC[C@](C)(C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458199095 844441487 /nfs/dbraw/zinc/44/14/87/844441487.db2.gz ODYFIXCVHRLTBW-QZNHQXDQSA-N 1 0 379.479 3.850 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCS[C@H](C)[C@H]3C)sc2C1 ZINC001167412514 839688043 /nfs/dbraw/zinc/68/80/43/839688043.db2.gz MFXAQRJGWQHJRB-MGPQQGTHSA-N 1 0 377.579 3.899 20 30 GHEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000472811860 839815544 /nfs/dbraw/zinc/81/55/44/839815544.db2.gz OZCIIEULYNMFLH-LJQANCHMSA-N 1 0 379.508 3.973 20 30 GHEDRO N#Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Oc1ccccc1 ZINC000415533593 839922847 /nfs/dbraw/zinc/92/28/47/839922847.db2.gz IHRVQZQQKVCJJJ-BEVDRBHNSA-N 1 0 376.460 3.942 20 30 GHEDRO Cn1c[nH+]cc1Nc1cc(C(F)(F)F)c(C#N)cc1I ZINC001211250980 839961814 /nfs/dbraw/zinc/96/18/14/839961814.db2.gz RSQNGHRUSGEGPI-UHFFFAOYSA-N 1 0 392.122 3.659 20 30 GHEDRO CC(C)(CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000048178842 840360281 /nfs/dbraw/zinc/36/02/81/840360281.db2.gz LUAFHTIVTXJYQI-UHFFFAOYSA-N 1 0 393.556 3.745 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)NCc2ccccc2)cc1 ZINC000186957221 840550503 /nfs/dbraw/zinc/55/05/03/840550503.db2.gz JIBJCYAVFXVXKX-UHFFFAOYSA-O 1 0 394.520 3.870 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)CC2)c1 ZINC000511713895 840561175 /nfs/dbraw/zinc/56/11/75/840561175.db2.gz RRTOQBOWLWYEST-NRFANRHFSA-N 1 0 383.511 3.890 20 30 GHEDRO COCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160752805 840669784 /nfs/dbraw/zinc/66/97/84/840669784.db2.gz XIAXNPXCOFAFDH-UHFFFAOYSA-N 1 0 397.397 3.846 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000573491584 844568244 /nfs/dbraw/zinc/56/82/44/844568244.db2.gz SVOUIKIJPVFAEK-GOSISDBHSA-N 1 0 399.502 3.911 20 30 GHEDRO Cc1nc(CN2CCC(C[NH2+]Cc3cccc(OCCCC#N)c3)CC2)oc1C ZINC000111412331 840827614 /nfs/dbraw/zinc/82/76/14/840827614.db2.gz AYFUVOBJYXPRQQ-UHFFFAOYSA-N 1 0 396.535 3.976 20 30 GHEDRO C[C@@](CO)([NH2+]CC#Cc1ccccc1Cl)c1ccc(Br)cc1 ZINC000511625068 840827675 /nfs/dbraw/zinc/82/76/75/840827675.db2.gz PXOWINSKHGYNBN-SFHVURJKSA-N 1 0 378.697 3.951 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(F)cc1OC)[C@@H]2CC ZINC001143389641 840848527 /nfs/dbraw/zinc/84/85/27/840848527.db2.gz LCIBAVZYSVUJTM-CTNGQTDRSA-N 1 0 378.463 3.895 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561320678 840850646 /nfs/dbraw/zinc/85/06/46/840850646.db2.gz NQITWHRATRYBMV-OAHLLOKOSA-N 1 0 396.416 3.880 20 30 GHEDRO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000156961441 840939052 /nfs/dbraw/zinc/93/90/52/840939052.db2.gz LLZHTZYMCLARKJ-XLIONFOSSA-N 1 0 396.560 3.933 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)on2)c1 ZINC000584835043 841022890 /nfs/dbraw/zinc/02/28/90/841022890.db2.gz HNASSIQPTHZENO-RBBKRZOGSA-N 1 0 398.466 3.560 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000549920390 844610646 /nfs/dbraw/zinc/61/06/46/844610646.db2.gz UDMKJELKPCLPAU-BDKRGJGYSA-N 1 0 395.547 3.876 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511872446 841143666 /nfs/dbraw/zinc/14/36/66/841143666.db2.gz INTFEOWAYWEKNO-QZTJIDSGSA-N 1 0 392.425 3.587 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000573657053 844623562 /nfs/dbraw/zinc/62/35/62/844623562.db2.gz DXOYRSNPJALQJL-BTYIYWSLSA-N 1 0 389.565 3.964 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156186535 841257642 /nfs/dbraw/zinc/25/76/42/841257642.db2.gz INCZAGZMGGNGHJ-PGRDOPGGSA-N 1 0 376.504 3.753 20 30 GHEDRO C=CCC[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417930752 841285320 /nfs/dbraw/zinc/28/53/20/841285320.db2.gz KPIQWVYHNBWNKF-JZXOWHBKSA-N 1 0 381.442 3.964 20 30 GHEDRO C=CCC[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417930750 841285706 /nfs/dbraw/zinc/28/57/06/841285706.db2.gz KPIQWVYHNBWNKF-BQFCYCMXSA-N 1 0 381.442 3.964 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000131093979 861194589 /nfs/dbraw/zinc/19/45/89/861194589.db2.gz HZJIDMQHVJIGKX-JOCHJYFZSA-N 1 0 376.504 3.845 20 30 GHEDRO Cc1noc([C@@H]2CCCCN2C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000329249374 861201361 /nfs/dbraw/zinc/20/13/61/861201361.db2.gz SZEXWDLKJILRAN-UXLLHSPISA-N 1 0 377.533 3.576 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)CCC[NH2+]1 ZINC000662720765 841483256 /nfs/dbraw/zinc/48/32/56/841483256.db2.gz CSVNBAIJDQGVPJ-QFIPXVFZSA-N 1 0 376.460 3.550 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1OC ZINC000623562819 861206837 /nfs/dbraw/zinc/20/68/37/861206837.db2.gz DHTYKGYXAATGKN-LZLYRXPVSA-N 1 0 383.916 3.569 20 30 GHEDRO COc1cccc(C2(F)CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000500134417 841501903 /nfs/dbraw/zinc/50/19/03/841501903.db2.gz AGMYQJOXQFRGFU-UHFFFAOYSA-N 1 0 381.451 3.856 20 30 GHEDRO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cnc1N1CCCC[C@H]1C ZINC000329254633 861209064 /nfs/dbraw/zinc/20/90/64/861209064.db2.gz WZHWSSCIMLBFEW-WSTZPKSXSA-N 1 0 385.556 3.873 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(-c2ccncc2)n1 ZINC000418139124 841557464 /nfs/dbraw/zinc/55/74/64/841557464.db2.gz DLKJGGXIOVPDAF-JOCHJYFZSA-N 1 0 382.471 3.898 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000581530453 841611792 /nfs/dbraw/zinc/61/17/92/841611792.db2.gz JDWSYFQGRUOTBF-KRWDZBQOSA-N 1 0 380.540 3.535 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1 ZINC000157182139 841638914 /nfs/dbraw/zinc/63/89/14/841638914.db2.gz HSGPPSSCDDPYME-OTWHNJEPSA-N 1 0 379.504 3.558 20 30 GHEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000481387381 861239389 /nfs/dbraw/zinc/23/93/89/861239389.db2.gz BMPJNMSOJCDPHM-KPZWWZAWSA-N 1 0 375.856 3.726 20 30 GHEDRO Cc1cc(-c2noc(CC3(c4ccc(F)cc4)CC[NH2+]CC3)n2)ccc1C#N ZINC001211516263 841831086 /nfs/dbraw/zinc/83/10/86/841831086.db2.gz FQAQOQVBBLUGAG-UHFFFAOYSA-N 1 0 376.435 3.920 20 30 GHEDRO C[C@@H]1Oc2ccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2NC1=O ZINC000329289237 861249935 /nfs/dbraw/zinc/24/99/35/861249935.db2.gz MXRZFFMQZXCWMV-SWLSCSKDSA-N 1 0 375.494 3.861 20 30 GHEDRO O=C(/C=C\c1cnc2ccccn12)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000255359477 842013508 /nfs/dbraw/zinc/01/35/08/842013508.db2.gz XXRXGULMEFDVJX-RAXLEYEMSA-N 1 0 380.469 3.947 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643723352 842014633 /nfs/dbraw/zinc/01/46/33/842014633.db2.gz JDTCUCCESNGXAD-RBUKOAKNSA-N 1 0 383.565 3.743 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000730761845 861263469 /nfs/dbraw/zinc/26/34/69/861263469.db2.gz MSDHINOVWLIHCW-MRXNPFEDSA-N 1 0 381.545 3.949 20 30 GHEDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000604520748 842055187 /nfs/dbraw/zinc/05/51/87/842055187.db2.gz KUIQOICEDBEVFA-UNMCSNQZSA-N 1 0 383.536 3.771 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000329306796 861266810 /nfs/dbraw/zinc/26/68/10/861266810.db2.gz BGZPLBBZXBOMPZ-HXUWFJFHSA-N 1 0 375.561 3.619 20 30 GHEDRO C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000610530856 842069315 /nfs/dbraw/zinc/06/93/15/842069315.db2.gz AFHZALKPAWGRTG-GOSISDBHSA-N 1 0 376.504 3.925 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000127278910 842115400 /nfs/dbraw/zinc/11/54/00/842115400.db2.gz WZJZGVKUEJNCDT-OAQYLSRUSA-N 1 0 395.503 3.746 20 30 GHEDRO C=CCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000458812094 842147664 /nfs/dbraw/zinc/14/76/64/842147664.db2.gz QLOHDZJYAXRTOG-UXHICEINSA-N 1 0 378.605 3.567 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661863398 842248313 /nfs/dbraw/zinc/24/83/13/842248313.db2.gz HNVFUYHEXBONJS-FXAWDEMLSA-N 1 0 376.566 3.932 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)nc1 ZINC000585794475 842313638 /nfs/dbraw/zinc/31/36/38/842313638.db2.gz ZMKBHEQMMSIAFS-GCJKJVERSA-N 1 0 376.504 3.680 20 30 GHEDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328828061 842350560 /nfs/dbraw/zinc/35/05/60/842350560.db2.gz JRYIDNISSRBLSB-SFTDATJTSA-N 1 0 398.551 3.535 20 30 GHEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1)C1CC1 ZINC000466940329 842449870 /nfs/dbraw/zinc/44/98/70/842449870.db2.gz OJMCDCRCTQEHNE-KSFYIVLOSA-N 1 0 381.545 3.964 20 30 GHEDRO C[C@H](C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329353171 861317576 /nfs/dbraw/zinc/31/75/76/861317576.db2.gz UWTRHPJBAYIRPO-BASYENTBSA-N 1 0 385.487 3.617 20 30 GHEDRO CCc1oc2ccccc2c1C[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610556435 842586199 /nfs/dbraw/zinc/58/61/99/842586199.db2.gz CXBJWORISUVQCU-GOSISDBHSA-N 1 0 378.472 3.933 20 30 GHEDRO C=C(C)C[N@H+](CCOc1ccccc1Br)Cc1ccc(CO)o1 ZINC000512163943 842698522 /nfs/dbraw/zinc/69/85/22/842698522.db2.gz ABYXOBBXAXOSNO-UHFFFAOYSA-N 1 0 380.282 3.992 20 30 GHEDRO C[C@@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)NC(=O)c1ccccc1 ZINC000328872591 842746408 /nfs/dbraw/zinc/74/64/08/842746408.db2.gz DWRHTIJQYYDPOT-IBGZPJMESA-N 1 0 385.552 3.884 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549634080 842776218 /nfs/dbraw/zinc/77/62/18/842776218.db2.gz IWMGZGWYKZRZBB-HXUWFJFHSA-N 1 0 390.535 3.705 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000028338423 861347476 /nfs/dbraw/zinc/34/74/76/861347476.db2.gz KWHUKHFUOWKFHA-CHWSQXEVSA-N 1 0 384.867 3.848 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCC#Cc2cccc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000512189866 842844564 /nfs/dbraw/zinc/84/45/64/842844564.db2.gz PZPIHVPUFROYCR-UGKGYDQZSA-N 1 0 393.506 3.777 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599573377 861350689 /nfs/dbraw/zinc/35/06/89/861350689.db2.gz GCRNPFXCSWTYJI-VGOFRKELSA-N 1 0 392.503 3.856 20 30 GHEDRO CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328906961 842862922 /nfs/dbraw/zinc/86/29/22/842862922.db2.gz LERSSVWJLSHIMA-UKRRQHHQSA-N 1 0 382.302 3.801 20 30 GHEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549644901 842876866 /nfs/dbraw/zinc/87/68/66/842876866.db2.gz DYIZFDMFLLAMPV-UHFFFAOYSA-N 1 0 377.492 3.942 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CSCc1ccc(C#N)cc1)[NH+](C)C ZINC000510525093 842898038 /nfs/dbraw/zinc/89/80/38/842898038.db2.gz PCOKVSUYFLGVQO-VGOFRKELSA-N 1 0 381.545 3.908 20 30 GHEDRO CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000510579234 842995375 /nfs/dbraw/zinc/99/53/75/842995375.db2.gz NHUYYCUIKJKGLN-VXKWHMMOSA-N 1 0 382.552 3.990 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)c(-c2ccncc2)n1 ZINC000279331760 843002606 /nfs/dbraw/zinc/00/26/06/843002606.db2.gz CZSAYTJRVRRGCH-UHFFFAOYSA-N 1 0 379.508 3.784 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000549588888 843006865 /nfs/dbraw/zinc/00/68/65/843006865.db2.gz LIUDJXVAPDPTNP-IBGZPJMESA-N 1 0 385.527 3.863 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)ccc1C#N ZINC000510616922 843053556 /nfs/dbraw/zinc/05/35/56/843053556.db2.gz IDKZMRJDNYOJMQ-HSZRJFAPSA-N 1 0 375.516 3.970 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)ccc1C#N ZINC000510616925 843053791 /nfs/dbraw/zinc/05/37/91/843053791.db2.gz IDKZMRJDNYOJMQ-QHCPKHFHSA-N 1 0 375.516 3.970 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000279455889 843066530 /nfs/dbraw/zinc/06/65/30/843066530.db2.gz GGWPVTKIDQGSCU-JOCHJYFZSA-N 1 0 378.520 3.819 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000066943916 843073315 /nfs/dbraw/zinc/07/33/15/843073315.db2.gz FAXJASJPBTUXJO-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO N#CC(CC[N@@H+]1CCO[C@@]2(CCCOC2)C1)(c1ccccc1)c1ccccc1 ZINC000510632153 843095285 /nfs/dbraw/zinc/09/52/85/843095285.db2.gz HBRLZJUMGLANRV-QHCPKHFHSA-N 1 0 376.500 3.768 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(I)cc1 ZINC000512213857 843109544 /nfs/dbraw/zinc/10/95/44/843109544.db2.gz UONPHUUBOIEMBX-UHFFFAOYSA-N 1 0 397.256 3.955 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000891805454 843156783 /nfs/dbraw/zinc/15/67/83/843156783.db2.gz LDKNNYABUCIETA-UHFFFAOYSA-N 1 0 382.533 3.734 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610583737 843184802 /nfs/dbraw/zinc/18/48/02/843184802.db2.gz BQVRYXCLVJGRKN-MOPGFXCFSA-N 1 0 391.475 3.836 20 30 GHEDRO [NH3+]C1CCC(NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000662406520 843189668 /nfs/dbraw/zinc/18/96/68/843189668.db2.gz YHTZICBZZQVUFB-UHFFFAOYSA-N 1 0 386.311 3.976 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2)c1 ZINC000066953308 843376642 /nfs/dbraw/zinc/37/66/42/843376642.db2.gz CICRFYXPISKIQA-LJQANCHMSA-N 1 0 376.460 3.956 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)CCC[NH2+]1 ZINC000662514466 843379140 /nfs/dbraw/zinc/37/91/40/843379140.db2.gz KPKVEWLTVCRRHO-HXUWFJFHSA-N 1 0 377.916 3.895 20 30 GHEDRO C=CC[C@@]1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)CCC[NH2+]1 ZINC000662531449 843395454 /nfs/dbraw/zinc/39/54/54/843395454.db2.gz WIFVBQISMUTZTK-FQEVSTJZSA-N 1 0 396.453 3.568 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000471907827 843412542 /nfs/dbraw/zinc/41/25/42/843412542.db2.gz AIKXCFIOBPTTPF-IRLDBZIGSA-N 1 0 387.568 3.911 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C2CC2)cc1 ZINC000510773495 843457052 /nfs/dbraw/zinc/45/70/52/843457052.db2.gz HWMFTQZLKACXSW-UHFFFAOYSA-N 1 0 391.540 3.912 20 30 GHEDRO Cn1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(C2CCCCC2)n1 ZINC000329439152 861424969 /nfs/dbraw/zinc/42/49/69/861424969.db2.gz JVZSHFZACBHHIG-UHFFFAOYSA-N 1 0 388.556 3.808 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1Cl ZINC000599633101 861423553 /nfs/dbraw/zinc/42/35/53/861423553.db2.gz ZKTXFOOXSHBOEX-MRXNPFEDSA-N 1 0 397.906 3.684 20 30 GHEDRO C=CC[C@]1(C(=O)NCc2cccnc2Oc2ccccc2OCCC)CCC[NH2+]1 ZINC000662684387 843522066 /nfs/dbraw/zinc/52/20/66/843522066.db2.gz XWGDCIRNBMNDQL-HSZRJFAPSA-N 1 0 395.503 3.977 20 30 GHEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000128703374 843596130 /nfs/dbraw/zinc/59/61/30/843596130.db2.gz PSWCSOQJMHNAHU-FQEVSTJZSA-N 1 0 387.487 3.636 20 30 GHEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000127396330 843762231 /nfs/dbraw/zinc/76/22/31/843762231.db2.gz NCCCJGFXJNUSQJ-JOCHJYFZSA-N 1 0 394.519 3.791 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1F ZINC000419274895 843800928 /nfs/dbraw/zinc/80/09/28/843800928.db2.gz JFDJEBGTGVPBQR-INIZCTEOSA-N 1 0 377.341 3.611 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)CC2)c1 ZINC000509812163 843836199 /nfs/dbraw/zinc/83/61/99/843836199.db2.gz BEOXEAGMCKMAQS-UHFFFAOYSA-N 1 0 395.503 3.916 20 30 GHEDRO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512839714 843860631 /nfs/dbraw/zinc/86/06/31/843860631.db2.gz KLMRWZVORZMDBF-LJQANCHMSA-N 1 0 398.478 3.597 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000599674765 861471389 /nfs/dbraw/zinc/47/13/89/861471389.db2.gz HLKOHHXGDLLGES-YLJYHZDGSA-N 1 0 380.488 3.739 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000731113799 861474017 /nfs/dbraw/zinc/47/40/17/861474017.db2.gz RTZGTMWQDRTOIW-UHFFFAOYSA-N 1 0 377.488 3.747 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052002499 843955635 /nfs/dbraw/zinc/95/56/35/843955635.db2.gz NQPGGJACXLSJCJ-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)cc1F ZINC000512621079 844764008 /nfs/dbraw/zinc/76/40/08/844764008.db2.gz UXWXRUFRPCYCPT-BRWVUGGUSA-N 1 0 395.478 3.798 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329478420 861500249 /nfs/dbraw/zinc/50/02/49/861500249.db2.gz QDDVREPPTZTHOO-HXUWFJFHSA-N 1 0 397.563 3.789 20 30 GHEDRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cn1 ZINC000599699853 861508399 /nfs/dbraw/zinc/50/83/99/861508399.db2.gz MQLRFKIJRZIOJH-HXUWFJFHSA-N 1 0 396.516 3.582 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000610987309 844994146 /nfs/dbraw/zinc/99/41/46/844994146.db2.gz YLZTTWKRZGVDOC-YADHBBJMSA-N 1 0 376.504 3.947 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cc1 ZINC000513195296 845022816 /nfs/dbraw/zinc/02/28/16/845022816.db2.gz AARPSPYDWDOGBN-MRXNPFEDSA-N 1 0 391.475 3.559 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)c1ccc2c(c1)CCCC2 ZINC000329494135 861538774 /nfs/dbraw/zinc/53/87/74/861538774.db2.gz WSNLUFDQBKJLIB-PGRDOPGGSA-N 1 0 397.563 3.917 20 30 GHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)c2)c1 ZINC000126299420 845248209 /nfs/dbraw/zinc/24/82/09/845248209.db2.gz FZJISNZNIBDELE-OAQYLSRUSA-N 1 0 388.471 3.623 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCCN(c2ccccc2F)CC1 ZINC000513377045 845336624 /nfs/dbraw/zinc/33/66/24/845336624.db2.gz RPMFCLRYUDQUHJ-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCOCC1 ZINC000119695995 845919843 /nfs/dbraw/zinc/91/98/43/845919843.db2.gz QBDRGKFWDIRNCY-UHFFFAOYSA-N 1 0 375.538 3.717 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)C2)ccn1 ZINC000856533177 881341129 /nfs/dbraw/zinc/34/11/29/881341129.db2.gz ABRPJFREYQSSPO-HXUWFJFHSA-N 1 0 393.535 3.755 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000582082451 846258829 /nfs/dbraw/zinc/25/88/29/846258829.db2.gz JZLHMNUNFSZWFA-QFIPXVFZSA-N 1 0 391.515 3.796 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1OC ZINC000623738711 861657479 /nfs/dbraw/zinc/65/74/79/861657479.db2.gz YPHGEOODCXDAAX-APWZRJJASA-N 1 0 390.867 3.634 20 30 GHEDRO C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc(OCC#N)cc1 ZINC000280184471 846324761 /nfs/dbraw/zinc/32/47/61/846324761.db2.gz RWUQCEGMCWOOLW-AWEZNQCLSA-N 1 0 377.286 3.679 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183157554 846419700 /nfs/dbraw/zinc/41/97/00/846419700.db2.gz DWXDBXPWNGJPLI-HUUCEWRRSA-N 1 0 391.475 3.940 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)c3ccc(C[NH+]4CCSCC4)cc3)CC2)c1 ZINC000551889183 846560068 /nfs/dbraw/zinc/56/00/68/846560068.db2.gz VGZGKQNQFYXHCI-UHFFFAOYSA-N 1 0 377.513 3.526 20 30 GHEDRO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502968722 846672203 /nfs/dbraw/zinc/67/22/03/846672203.db2.gz BVYLKYSXSCRRSN-LJQANCHMSA-N 1 0 398.551 3.801 20 30 GHEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000555728152 861706713 /nfs/dbraw/zinc/70/67/13/861706713.db2.gz GMPGXPXFEXBTLL-AWEZNQCLSA-N 1 0 383.414 3.525 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000419611664 846698718 /nfs/dbraw/zinc/69/87/18/846698718.db2.gz KXEGFPZKBGIRPU-FGZHOGPDSA-N 1 0 392.503 3.546 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1C#N ZINC000161210387 846769266 /nfs/dbraw/zinc/76/92/66/846769266.db2.gz LPFODOJHLAJOQN-OAHLLOKOSA-N 1 0 384.480 3.720 20 30 GHEDRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000894245954 846860169 /nfs/dbraw/zinc/86/01/69/846860169.db2.gz HHOFXQAIMNHMGA-UHFFFAOYSA-N 1 0 377.444 3.845 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000501485475 846961340 /nfs/dbraw/zinc/96/13/40/846961340.db2.gz YFJRIVJRVIOBRD-IRXDYDNUSA-N 1 0 381.476 3.580 20 30 GHEDRO N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511110226 847071140 /nfs/dbraw/zinc/07/11/40/847071140.db2.gz WWHUAZTWUXMDKU-MJGOQNOKSA-N 1 0 387.405 3.983 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513719882 847145191 /nfs/dbraw/zinc/14/51/91/847145191.db2.gz FVQXYVSEICAMHU-NRFANRHFSA-N 1 0 377.488 3.741 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)cc1 ZINC000431403076 847163723 /nfs/dbraw/zinc/16/37/23/847163723.db2.gz LFBSHNCERCPPAW-UYAOXDASSA-N 1 0 386.540 3.625 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000264077605 847303461 /nfs/dbraw/zinc/30/34/61/847303461.db2.gz YSZGBCZYKWLAIE-UHFFFAOYSA-N 1 0 393.487 3.581 20 30 GHEDRO C#Cc1ccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)nc1 ZINC000731649237 861777011 /nfs/dbraw/zinc/77/70/11/861777011.db2.gz GDTXNAWYNCKKHE-UHFFFAOYSA-N 1 0 375.516 3.528 20 30 GHEDRO CSCc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000511142033 847419868 /nfs/dbraw/zinc/41/98/68/847419868.db2.gz KYIBNGWFWHJILK-UHFFFAOYSA-N 1 0 396.560 3.695 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C#N)s1)c1cccc(OC)c1 ZINC000420766764 847434233 /nfs/dbraw/zinc/43/42/33/847434233.db2.gz SPRYWROLCCTGPD-IBGZPJMESA-N 1 0 386.521 3.511 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C#N)s2)CC1)CC(C)C ZINC000422212636 847471262 /nfs/dbraw/zinc/47/12/62/847471262.db2.gz FBYGAYSQLRYQLG-UHFFFAOYSA-N 1 0 376.570 3.909 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)s1 ZINC000420889269 847508346 /nfs/dbraw/zinc/50/83/46/847508346.db2.gz ONOGDNLLOREXSV-GOSISDBHSA-N 1 0 382.533 3.673 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000479540950 847713318 /nfs/dbraw/zinc/71/33/18/847713318.db2.gz KJJJZWQAPXPWDG-IBGZPJMESA-N 1 0 398.551 3.623 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2cccc(CC#N)c2)[NH+]2CCCCC2)cc1 ZINC000042280634 861827343 /nfs/dbraw/zinc/82/73/43/861827343.db2.gz GPCFCFWLUWUSMT-QFIPXVFZSA-N 1 0 377.488 3.718 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1cnn(CC2CCC2)c1 ZINC000934558052 847815929 /nfs/dbraw/zinc/81/59/29/847815929.db2.gz WKOYYCZSYWKKOY-CQSZACIVSA-N 1 0 397.548 3.784 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000548770680 848402825 /nfs/dbraw/zinc/40/28/25/848402825.db2.gz WHOYYVRQGJPABY-GCJKJVERSA-N 1 0 377.488 3.926 20 30 GHEDRO CC#CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000458393239 849125439 /nfs/dbraw/zinc/12/54/39/849125439.db2.gz JLCIEWRPSZWCNH-SJLPKXTDSA-N 1 0 381.442 3.753 20 30 GHEDRO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC2(CCCC2)O1 ZINC000555838830 861992942 /nfs/dbraw/zinc/99/29/42/861992942.db2.gz TYOJCIPDJSWTNB-UHFFFAOYSA-N 1 0 379.508 3.782 20 30 GHEDRO N#Cc1csc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000178812623 849265904 /nfs/dbraw/zinc/26/59/04/849265904.db2.gz ZJOGYHSJEIUXJU-QGZVFWFLSA-N 1 0 377.473 3.516 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc(OC)c1OC ZINC000732002480 861998887 /nfs/dbraw/zinc/99/88/87/861998887.db2.gz RRMJCOCAIREIRV-KRWDZBQOSA-N 1 0 382.504 3.683 20 30 GHEDRO CCc1cc(N2CCC[C@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2)ncn1 ZINC000481680508 862000272 /nfs/dbraw/zinc/00/02/72/862000272.db2.gz ZFKSXHPVRRJAAE-UNMCSNQZSA-N 1 0 375.520 3.937 20 30 GHEDRO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000329673793 862005440 /nfs/dbraw/zinc/00/54/40/862005440.db2.gz VBBGLXYTSOXJLD-CYBMUJFWSA-N 1 0 381.423 3.545 20 30 GHEDRO C[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001125651133 849337142 /nfs/dbraw/zinc/33/71/42/849337142.db2.gz XNNLKDFRNQPDBB-MRXNPFEDSA-N 1 0 386.417 3.620 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000583356819 849698235 /nfs/dbraw/zinc/69/82/35/849698235.db2.gz WRPHGHZEAUYHHX-FGZHOGPDSA-N 1 0 377.463 3.856 20 30 GHEDRO Cc1cccc(Oc2cc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccn2)c1C ZINC000329687724 862057567 /nfs/dbraw/zinc/05/75/67/862057567.db2.gz BUXIUDJEUISIPS-LJQANCHMSA-N 1 0 380.492 3.685 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(C#N)c1 ZINC000434861502 849848713 /nfs/dbraw/zinc/84/87/13/849848713.db2.gz NQYSWVOZXZCLND-MBSDFSHPSA-N 1 0 391.515 3.937 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Oc1ccccc1 ZINC000514589384 850029849 /nfs/dbraw/zinc/02/98/49/850029849.db2.gz OXLIXSAVEOQBGY-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435124275 850103425 /nfs/dbraw/zinc/10/34/25/850103425.db2.gz NTPHRXGLNMUQEM-IBGZPJMESA-N 1 0 387.487 3.857 20 30 GHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)C1 ZINC000430137281 850159834 /nfs/dbraw/zinc/15/98/34/850159834.db2.gz KXHMXUMOQXHIGM-XQBPLPMBSA-N 1 0 377.536 3.626 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 ZINC000329695208 862099336 /nfs/dbraw/zinc/09/93/36/862099336.db2.gz XISJKNNDWMMOLM-QGZVFWFLSA-N 1 0 388.487 3.692 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1C#N ZINC000426454480 850240133 /nfs/dbraw/zinc/24/01/33/850240133.db2.gz PUOGSNSJZMVMDM-FPOVZHCZSA-N 1 0 376.504 3.838 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000424125850 850240713 /nfs/dbraw/zinc/24/07/13/850240713.db2.gz OLMFACQYTIVGKR-IBGZPJMESA-N 1 0 383.565 3.745 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000424141120 850246402 /nfs/dbraw/zinc/24/64/02/850246402.db2.gz OLVZADFDUDWAFG-SECBINFHSA-N 1 0 385.312 3.594 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000908662947 850255950 /nfs/dbraw/zinc/25/59/50/850255950.db2.gz YJMFXHFNPMWFSQ-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCNC(=O)CCCc2ccccc2)c(C(F)(F)F)c1 ZINC000424186119 850265040 /nfs/dbraw/zinc/26/50/40/850265040.db2.gz HURCHNAMQQXIKS-UHFFFAOYSA-N 1 0 389.421 3.806 20 30 GHEDRO N#CCSc1ccccc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000732150695 862110645 /nfs/dbraw/zinc/11/06/45/862110645.db2.gz GLUZFUKEZBDRMR-UHFFFAOYSA-N 1 0 395.528 3.707 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000732188869 862114161 /nfs/dbraw/zinc/11/41/61/862114161.db2.gz NIWNATHGVJZLKV-SFHVURJKSA-N 1 0 387.528 3.532 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000424247050 850310725 /nfs/dbraw/zinc/31/07/25/850310725.db2.gz MVLBAAITFXPVPF-GOSISDBHSA-N 1 0 375.586 3.877 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000518903746 850326609 /nfs/dbraw/zinc/32/66/09/850326609.db2.gz SGCQJYXFASHHFB-DLBZAZTESA-N 1 0 378.476 3.738 20 30 GHEDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000437949506 850333139 /nfs/dbraw/zinc/33/31/39/850333139.db2.gz DTRBPZPFOLJQDS-HNNXBMFYSA-N 1 0 384.455 3.738 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)COc1ccccc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000518984456 850453769 /nfs/dbraw/zinc/45/37/69/850453769.db2.gz WTEGXQXIVGCBGG-NQIIRXRSSA-N 1 0 379.504 3.819 20 30 GHEDRO N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000514993172 850562341 /nfs/dbraw/zinc/56/23/41/850562341.db2.gz GHWZAGYXWUDIPX-MNLRITNHSA-N 1 0 396.535 3.557 20 30 GHEDRO C=CCC1(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)CCOCC1 ZINC000424590292 850569572 /nfs/dbraw/zinc/56/95/72/850569572.db2.gz FOTYHVULDNPKNZ-FQEVSTJZSA-N 1 0 386.536 3.711 20 30 GHEDRO C[C@H](NC(=O)CSc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487254274 850623164 /nfs/dbraw/zinc/62/31/64/850623164.db2.gz YLPBNCHSTFRHSN-FXAWDEMLSA-N 1 0 379.529 3.677 20 30 GHEDRO COc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000027669061 850635454 /nfs/dbraw/zinc/63/54/54/850635454.db2.gz XAYDKVCIAJITDC-QHCPKHFHSA-N 1 0 391.515 3.843 20 30 GHEDRO C=C(C)Cn1c(C2CCOCC2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000909280496 850685423 /nfs/dbraw/zinc/68/54/23/850685423.db2.gz BLENJOLPYOPEOO-IBGZPJMESA-N 1 0 395.551 3.631 20 30 GHEDRO C=CCC[C@@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000664497390 850764997 /nfs/dbraw/zinc/76/49/97/850764997.db2.gz RQWRLMNYUDQUCT-XZOQPEGZSA-N 1 0 393.531 3.760 20 30 GHEDRO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1OC ZINC000425012573 850864051 /nfs/dbraw/zinc/86/40/51/850864051.db2.gz ZURVLKKTRUEABZ-LEWJYISDSA-N 1 0 392.499 3.607 20 30 GHEDRO CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1cc(F)cc(C#N)c1 ZINC000425016045 850866555 /nfs/dbraw/zinc/86/65/55/850866555.db2.gz WEQDYMQRPNVJOY-SIKLNZKXSA-N 1 0 391.490 3.708 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccccc1C#N)c1cccc(OC)c1 ZINC000209492107 850980530 /nfs/dbraw/zinc/98/05/30/850980530.db2.gz BXGINFOCEIEARO-MBWOQUJGSA-N 1 0 377.488 3.779 20 30 GHEDRO CN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440252457 850984978 /nfs/dbraw/zinc/98/49/78/850984978.db2.gz FMAVNZUNYFUIFI-FCHUYYIVSA-N 1 0 376.504 3.947 20 30 GHEDRO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[C@@H]1C ZINC000487963791 851030942 /nfs/dbraw/zinc/03/09/42/851030942.db2.gz NEGDONTZURNGSI-LPHOPBHVSA-N 1 0 377.916 3.724 20 30 GHEDRO C[C@]1(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO[C@@H]1C1CC1 ZINC000329726882 862240856 /nfs/dbraw/zinc/24/08/56/862240856.db2.gz DZRRSBNYYGUDKP-SSCTVXGBSA-N 1 0 383.536 3.643 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnc(OCc3ccccc3)c2)CC1 ZINC000505790961 851448361 /nfs/dbraw/zinc/44/83/61/851448361.db2.gz USIRSNJCPMRDMY-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000436347805 851509359 /nfs/dbraw/zinc/50/93/59/851509359.db2.gz YCTNXOZGUSGIAI-XLIONFOSSA-N 1 0 375.513 3.510 20 30 GHEDRO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)CC1CCCCC1 ZINC000436434246 851609626 /nfs/dbraw/zinc/60/96/26/851609626.db2.gz QOHZBWZBUSAEQR-UHFFFAOYSA-N 1 0 396.539 3.594 20 30 GHEDRO COc1ccc(OCCN(C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000488597183 851652518 /nfs/dbraw/zinc/65/25/18/851652518.db2.gz ZIRLWYGPYQYZJX-AWEZNQCLSA-N 1 0 387.867 3.558 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000488689991 851696884 /nfs/dbraw/zinc/69/68/84/851696884.db2.gz MQYXQZXGXLHFMI-LJQANCHMSA-N 1 0 375.516 3.910 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C1CC[NH+](C)CC1 ZINC000604552423 862274768 /nfs/dbraw/zinc/27/47/68/862274768.db2.gz NYFOSPRAXNOYJJ-QGZVFWFLSA-N 1 0 377.488 3.597 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1Br ZINC000488717686 851721346 /nfs/dbraw/zinc/72/13/46/851721346.db2.gz KWEQVHPBFYVVHZ-LJQANCHMSA-N 1 0 385.309 3.709 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCC#Cc2ccccc2)CC1 ZINC000061661037 862276581 /nfs/dbraw/zinc/27/65/81/862276581.db2.gz ADAAUFIJDJOLDF-UHFFFAOYSA-N 1 0 375.516 3.769 20 30 GHEDRO Cc1cc(C)cc(OCC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000604537534 862289201 /nfs/dbraw/zinc/28/92/01/862289201.db2.gz GLGPHPPYIYOZMP-UHFFFAOYSA-N 1 0 377.488 3.905 20 30 GHEDRO COc1cc(C)c(Br)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329757882 862296513 /nfs/dbraw/zinc/29/65/13/862296513.db2.gz ZQBRRFKVTJSMKT-HIFRSBDPSA-N 1 0 382.302 3.719 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000438002154 851937134 /nfs/dbraw/zinc/93/71/34/851937134.db2.gz SUEOOCSJQCWEGD-HOJAQTOUSA-N 1 0 391.943 3.757 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000249071746 862325607 /nfs/dbraw/zinc/32/56/07/862325607.db2.gz QLPPDQRMIMMWQJ-RZAIGCCYSA-N 1 0 387.867 3.868 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505862584 852182954 /nfs/dbraw/zinc/18/29/54/852182954.db2.gz MKIIONXEFUBMGU-NRFANRHFSA-N 1 0 391.515 3.951 20 30 GHEDRO CC(C)(C)c1nc2c(o1)c(C#N)cnc2-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167983160 852209145 /nfs/dbraw/zinc/20/91/45/852209145.db2.gz NFIWYORKPQYTAY-UHFFFAOYSA-N 1 0 375.432 3.543 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000426998057 852619059 /nfs/dbraw/zinc/61/90/59/852619059.db2.gz DQPADVSQFWMBLK-UHFFFAOYSA-N 1 0 385.870 3.993 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)CC1 ZINC000507179399 852629925 /nfs/dbraw/zinc/62/99/25/852629925.db2.gz KEWIJOIMVUYOIF-NRFANRHFSA-N 1 0 377.479 3.755 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[NH+](C)C)cc1 ZINC000489964345 852677104 /nfs/dbraw/zinc/67/71/04/852677104.db2.gz KXWZELDARJPJAA-FYYLOGMGSA-N 1 0 393.531 3.965 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000489976560 852702351 /nfs/dbraw/zinc/70/23/51/852702351.db2.gz HZUHOPRGXOMHBR-UHFFFAOYSA-N 1 0 380.423 3.700 20 30 GHEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000438665740 852704199 /nfs/dbraw/zinc/70/41/99/852704199.db2.gz QYRUXCOKEOYWAT-HNNXBMFYSA-N 1 0 382.439 3.953 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000505980393 852798323 /nfs/dbraw/zinc/79/83/23/852798323.db2.gz BBFSRRFTFNZGQA-RBUKOAKNSA-N 1 0 387.405 3.664 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000490202111 852809804 /nfs/dbraw/zinc/80/98/04/852809804.db2.gz NHTBLQYRTJBXAU-QPAVJXABSA-N 1 0 377.479 3.954 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414953253 852861288 /nfs/dbraw/zinc/86/12/88/852861288.db2.gz JMOBBJDLPDQZHS-CZUORRHYSA-N 1 0 383.330 3.500 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)nc1 ZINC000912929984 852896252 /nfs/dbraw/zinc/89/62/52/852896252.db2.gz YMFWFSBHGYXDBD-UHFFFAOYSA-N 1 0 388.515 3.959 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000516800044 853021642 /nfs/dbraw/zinc/02/16/42/853021642.db2.gz MRYBKYMPWGCUPC-UHFFFAOYSA-N 1 0 388.515 3.662 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000518235653 853110126 /nfs/dbraw/zinc/11/01/26/853110126.db2.gz BWJOQNQBXVHPDS-UHFFFAOYSA-N 1 0 375.314 3.992 20 30 GHEDRO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)CC1CCCCC1 ZINC000732667540 862432187 /nfs/dbraw/zinc/43/21/87/862432187.db2.gz PKQKPVGGDSWVFI-UHFFFAOYSA-N 1 0 385.552 3.920 20 30 GHEDRO COc1cccc2c1CC[C@@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)C2 ZINC000518283897 853161970 /nfs/dbraw/zinc/16/19/70/853161970.db2.gz RSVQBGOJZHWSNU-IOJLRTSASA-N 1 0 377.488 3.799 20 30 GHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000516943546 853166930 /nfs/dbraw/zinc/16/69/30/853166930.db2.gz BMGHSHSTKYXBHT-JOCHJYFZSA-N 1 0 398.514 3.538 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000490758927 853223968 /nfs/dbraw/zinc/22/39/68/853223968.db2.gz KTFJEVZZCNRYCB-QGZVFWFLSA-N 1 0 395.429 3.648 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000506475018 853225308 /nfs/dbraw/zinc/22/53/08/853225308.db2.gz RMCXZLMHZRUJOQ-DLBZAZTESA-N 1 0 388.943 3.737 20 30 GHEDRO O=C(CCC(=O)N1CCSc2ccccc21)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000329941935 862441670 /nfs/dbraw/zinc/44/16/70/862441670.db2.gz GYJFARHLFGBWAM-KRWDZBQOSA-N 1 0 387.549 3.879 20 30 GHEDRO CSc1ccc(N2C[C@@H](C(=O)NCC3CC[NH+](C4CC4)CC3)CC2=O)cc1 ZINC000329940601 862442069 /nfs/dbraw/zinc/44/20/69/862442069.db2.gz GHIPQUURXAJZBH-INIZCTEOSA-N 1 0 387.549 3.592 20 30 GHEDRO CCN(C(=O)NCC#Cc1ccccc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473871832 853261411 /nfs/dbraw/zinc/26/14/11/853261411.db2.gz GZOFNVBQAYILJF-REWPJTCUSA-N 1 0 375.516 3.905 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000894873507 853291901 /nfs/dbraw/zinc/29/19/01/853291901.db2.gz MROFGMZZRCQLDF-NJYVYQBISA-N 1 0 384.520 3.562 20 30 GHEDRO C#CCOc1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000732699172 862450217 /nfs/dbraw/zinc/45/02/17/862450217.db2.gz AFGCQZFXJBWMHO-UHFFFAOYSA-N 1 0 387.549 3.572 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000437647461 853360772 /nfs/dbraw/zinc/36/07/72/853360772.db2.gz CWAOMUAJSCXHAU-VCOUNFBDSA-N 1 0 385.552 3.841 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccccc2Cc2ccccc2)CC1 ZINC000518496952 853429270 /nfs/dbraw/zinc/42/92/70/853429270.db2.gz MHDJJRSZSSAXEL-UHFFFAOYSA-N 1 0 378.516 3.813 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000491067714 853435754 /nfs/dbraw/zinc/43/57/54/853435754.db2.gz RPJOALFQAKSGBM-JBYIUTFZSA-N 1 0 377.536 3.796 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000029754314 853461999 /nfs/dbraw/zinc/46/19/99/853461999.db2.gz OATXNLRJAVYCOM-MJGOQNOKSA-N 1 0 397.544 3.976 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000029778069 853473015 /nfs/dbraw/zinc/47/30/15/853473015.db2.gz UEIYGMRCQRMYNF-GOSISDBHSA-N 1 0 377.488 3.628 20 30 GHEDRO N#CCCC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000519827283 853518582 /nfs/dbraw/zinc/51/85/82/853518582.db2.gz WDXNKZBGSGBOQA-KRWDZBQOSA-N 1 0 376.298 3.570 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C2 ZINC000519827104 853518682 /nfs/dbraw/zinc/51/86/82/853518682.db2.gz RVPMQIUIFAQRRX-MORSLUCNSA-N 1 0 389.425 3.741 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000586796790 853554361 /nfs/dbraw/zinc/55/43/61/853554361.db2.gz QBMZMMRSCBIKDL-PBFPGSCMSA-N 1 0 383.521 3.602 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000732762890 862480932 /nfs/dbraw/zinc/48/09/32/862480932.db2.gz CHMJMNLHQVXIIG-UZLBHIALSA-N 1 0 396.560 3.866 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)C(=S)NC(C)C ZINC000055009668 853628114 /nfs/dbraw/zinc/62/81/14/853628114.db2.gz DTENKMVFEJMLCF-UHFFFAOYSA-O 1 0 386.541 3.621 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000329995426 862489903 /nfs/dbraw/zinc/48/99/03/862489903.db2.gz NDUDHHQNMFDRAM-QHGAOEGBSA-N 1 0 387.499 3.651 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000518733370 853708120 /nfs/dbraw/zinc/70/81/20/853708120.db2.gz QLBSXSLZGCPGRO-CQSZACIVSA-N 1 0 397.441 3.507 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000437989375 853727131 /nfs/dbraw/zinc/72/71/31/853727131.db2.gz SXUKXUGKIBJTBV-PXNSSMCTSA-N 1 0 391.943 3.585 20 30 GHEDRO C=CCn1c([C@H]2CCOC2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000508868773 853813939 /nfs/dbraw/zinc/81/39/39/853813939.db2.gz WUMHGGRABHLTDK-FQEVSTJZSA-N 1 0 389.588 3.552 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441218945 853993398 /nfs/dbraw/zinc/99/33/98/853993398.db2.gz VCJQTFSETIQHJE-FGTMMUONSA-N 1 0 387.549 3.768 20 30 GHEDRO CN(C(=O)C1CCC(NC(=O)C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330031717 862520874 /nfs/dbraw/zinc/52/08/74/862520874.db2.gz UFOVPLFBXDYZFA-CBNMVNINSA-N 1 0 383.536 3.645 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000249688595 854108309 /nfs/dbraw/zinc/10/83/09/854108309.db2.gz UVYWEVNNBYLKHL-RBUKOAKNSA-N 1 0 379.508 3.541 20 30 GHEDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc2)c1 ZINC000112542485 854246503 /nfs/dbraw/zinc/24/65/03/854246503.db2.gz QEDFRRWYGSIWHK-MOPGFXCFSA-N 1 0 379.504 3.985 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000112526287 854257513 /nfs/dbraw/zinc/25/75/13/854257513.db2.gz OHUDXTICLXORNX-LJQANCHMSA-N 1 0 398.572 3.989 20 30 GHEDRO C=CCOc1ccccc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000588374067 854299016 /nfs/dbraw/zinc/29/90/16/854299016.db2.gz AGXDYJORRZKVSU-KRWDZBQOSA-N 1 0 397.494 3.633 20 30 GHEDRO C=C(Br)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000164818903 854299694 /nfs/dbraw/zinc/29/96/94/854299694.db2.gz VTTLPWYEZMOKAU-ROUUACIJSA-N 1 0 392.341 3.591 20 30 GHEDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3OC)C2)cc(OC)c1 ZINC000133479852 862564665 /nfs/dbraw/zinc/56/46/65/862564665.db2.gz AZUSPRCYKDVDDN-GOSISDBHSA-N 1 0 381.476 3.661 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ncc(C3CCCCC3)s2)CC[N@@H+]1CC(C)(C)O ZINC000328615809 854483638 /nfs/dbraw/zinc/48/36/38/854483638.db2.gz RYGKZSBMTJVDQZ-CQSZACIVSA-N 1 0 380.558 3.513 20 30 GHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)c2)cn1 ZINC000328691567 854511339 /nfs/dbraw/zinc/51/13/39/854511339.db2.gz IVXOLDRZSZXJIC-VQIMIIECSA-N 1 0 380.492 3.780 20 30 GHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000572476226 854516109 /nfs/dbraw/zinc/51/61/09/854516109.db2.gz MSOSLAPNDZWPBO-AWEZNQCLSA-N 1 0 396.434 3.572 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)cn21 ZINC000328742613 854524216 /nfs/dbraw/zinc/52/42/16/854524216.db2.gz NAELEOFDPARAKK-GOSISDBHSA-N 1 0 398.555 3.986 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCCc3c2cnn3C)CC1 ZINC000330107760 862579522 /nfs/dbraw/zinc/57/95/22/862579522.db2.gz MOTCFEQMFJNEOL-XLIONFOSSA-N 1 0 387.572 3.688 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000328844744 854573372 /nfs/dbraw/zinc/57/33/72/854573372.db2.gz PZXDAUXTGJIDLH-WHCFWRGISA-N 1 0 397.563 3.748 20 30 GHEDRO Cc1nnc(SCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1-c1cc(C)ccc1C ZINC000328949755 854614222 /nfs/dbraw/zinc/61/42/22/854614222.db2.gz WRWQKPXIOPQIDC-QZTJIDSGSA-N 1 0 399.564 3.868 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000328952117 854615186 /nfs/dbraw/zinc/61/51/86/854615186.db2.gz CUUGIBGEZCVMEI-RTWAWAEBSA-N 1 0 383.536 3.737 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588993135 854631625 /nfs/dbraw/zinc/63/16/25/854631625.db2.gz BPTJJIALCHSSAP-INIZCTEOSA-N 1 0 381.480 3.987 20 30 GHEDRO C[C@H]1CCCN(Cc2csc(NC(=O)N3CCCC4(CCOCC4)C3)n2)C1 ZINC000330119724 862588206 /nfs/dbraw/zinc/58/82/06/862588206.db2.gz GAEHRJZKTZBDNO-INIZCTEOSA-N 1 0 392.569 3.813 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c(F)cc1C ZINC000330573408 854702705 /nfs/dbraw/zinc/70/27/05/854702705.db2.gz PQDDWZJBCAECTC-RDTXWAMCSA-N 1 0 379.476 3.518 20 30 GHEDRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000330126099 862595627 /nfs/dbraw/zinc/59/56/27/862595627.db2.gz MECLCJOZPGKFBD-ALKREAHSSA-N 1 0 375.538 3.718 20 30 GHEDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cn(CCCC#N)c4ccccc34)n1)OC2 ZINC000589155172 854729666 /nfs/dbraw/zinc/72/96/66/854729666.db2.gz QRVSBNLOHHFVEE-DENIHFKCSA-N 1 0 391.475 3.921 20 30 GHEDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cn(CCCC#N)c4ccccc34)n1)OC2 ZINC000589155177 854729931 /nfs/dbraw/zinc/72/99/31/854729931.db2.gz QRVSBNLOHHFVEE-SIKLNZKXSA-N 1 0 391.475 3.921 20 30 GHEDRO COCCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1Cl ZINC000330857171 854760234 /nfs/dbraw/zinc/76/02/34/854760234.db2.gz QGEMBCLHTRGVHR-VXGBXAGGSA-N 1 0 390.311 3.589 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1Cc2ccccc2C2(CC2)C1 ZINC000186238813 854777590 /nfs/dbraw/zinc/77/75/90/854777590.db2.gz UBWAMZWGOAWOOS-SFHVURJKSA-N 1 0 389.499 3.878 20 30 GHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000330953319 854783423 /nfs/dbraw/zinc/78/34/23/854783423.db2.gz FZEBWGXSNRLLIG-UHFFFAOYSA-N 1 0 396.207 3.768 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000056554436 854788697 /nfs/dbraw/zinc/78/86/97/854788697.db2.gz BENXOUMSEJFYSE-UHFFFAOYSA-N 1 0 398.551 3.888 20 30 GHEDRO Cc1c(Cl)cccc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000330972866 854789826 /nfs/dbraw/zinc/78/98/26/854789826.db2.gz SHPLPPOWXBAZIJ-UHFFFAOYSA-N 1 0 379.932 3.580 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553248419 854925105 /nfs/dbraw/zinc/92/51/05/854925105.db2.gz SVLCPPCJYIBYMO-MRXNPFEDSA-N 1 0 390.959 3.665 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000439641150 862624443 /nfs/dbraw/zinc/62/44/43/862624443.db2.gz MUPFRNRSONQOFX-HSZRJFAPSA-N 1 0 385.467 3.584 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cscc3C(F)(F)F)C2=O)cc1 ZINC000589510607 854972144 /nfs/dbraw/zinc/97/21/44/854972144.db2.gz NUZJLHUXLAZKIT-INIZCTEOSA-N 1 0 379.407 3.924 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000056796130 855053086 /nfs/dbraw/zinc/05/30/86/855053086.db2.gz HLJFUNDNNFQYGP-QFIPXVFZSA-N 1 0 397.519 3.704 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC000669336757 855062668 /nfs/dbraw/zinc/06/26/68/855062668.db2.gz SLABOJGJSLHHIC-SXLOBPIMSA-N 1 0 381.524 3.587 20 30 GHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccccc2)c1 ZINC000186965792 862640835 /nfs/dbraw/zinc/64/08/35/862640835.db2.gz SJRAGLLSZRTKNE-UHFFFAOYSA-O 1 0 376.461 3.611 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000106036364 855170532 /nfs/dbraw/zinc/17/05/32/855170532.db2.gz MJTJXNIDAOVVKD-CYBMUJFWSA-N 1 0 399.304 3.512 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2C)CC1 ZINC000106323938 855217737 /nfs/dbraw/zinc/21/77/37/855217737.db2.gz ITDBEHMAVGWURD-KRWDZBQOSA-N 1 0 386.540 3.685 20 30 GHEDRO CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000130858551 855245281 /nfs/dbraw/zinc/24/52/81/855245281.db2.gz VOPNTBDDEYPVTB-NZQKXSOJSA-N 1 0 380.488 3.728 20 30 GHEDRO CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000590053384 855264859 /nfs/dbraw/zinc/26/48/59/855264859.db2.gz VBTXYBLSXMTMGS-VQIMIIECSA-N 1 0 381.476 3.792 20 30 GHEDRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000425478814 855273457 /nfs/dbraw/zinc/27/34/57/855273457.db2.gz NDFWCYWBZXUNSQ-KRWDZBQOSA-N 1 0 377.535 3.523 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1OC ZINC000190343602 855322249 /nfs/dbraw/zinc/32/22/49/855322249.db2.gz OHGPGPNDYYEDDF-FVQBIDKESA-N 1 0 382.298 3.680 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273412675 855359893 /nfs/dbraw/zinc/35/98/93/855359893.db2.gz IOHQMARRBPOLHA-SFTDATJTSA-N 1 0 381.451 3.878 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000441491603 855364730 /nfs/dbraw/zinc/36/47/30/855364730.db2.gz YJMWLOQPPRVWAJ-BPAFIMBUSA-N 1 0 386.540 3.605 20 30 GHEDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867319 855365920 /nfs/dbraw/zinc/36/59/20/855365920.db2.gz NLHSRQBPVOKPQQ-GOSISDBHSA-N 1 0 378.394 3.643 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)[C@H]2C1 ZINC000590442040 855421626 /nfs/dbraw/zinc/42/16/26/855421626.db2.gz FVCMFZYQJAKYSD-QUCCMNQESA-N 1 0 377.513 3.627 20 30 GHEDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000590537961 855488782 /nfs/dbraw/zinc/48/87/82/855488782.db2.gz LYQGTOUQYHGYPP-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1ccc2oc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c(C)c2c1 ZINC000107603889 855493230 /nfs/dbraw/zinc/49/32/30/855493230.db2.gz SDLMMKMHXZMSBN-UHFFFAOYSA-N 1 0 391.471 3.826 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cnn1-c1ccc(F)cc1 ZINC000330243618 862688353 /nfs/dbraw/zinc/68/83/53/862688353.db2.gz CSOMQLZZAOYJNH-IEBWSBKVSA-N 1 0 385.487 3.917 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)COc3ccc(C#N)cc3)cc2)C1 ZINC000107712476 855525135 /nfs/dbraw/zinc/52/51/35/855525135.db2.gz RRCIGWPYUGSCSE-OALUTQOASA-N 1 0 391.515 3.731 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000330245249 862689727 /nfs/dbraw/zinc/68/97/27/862689727.db2.gz XPZJJFUJCRZMEI-CABCVRRESA-N 1 0 390.281 3.634 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(F)cc1 ZINC000465681002 855577946 /nfs/dbraw/zinc/57/79/46/855577946.db2.gz GUIHOXMYWQTLDN-BHIFYINESA-N 1 0 394.494 3.910 20 30 GHEDRO N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1Cl ZINC000301231934 855645012 /nfs/dbraw/zinc/64/50/12/855645012.db2.gz FUMPWVTZVUAEFQ-GOSISDBHSA-N 1 0 382.895 3.521 20 30 GHEDRO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000330262304 862704563 /nfs/dbraw/zinc/70/45/63/862704563.db2.gz UVAWWGPJGAFDCY-HXUWFJFHSA-N 1 0 379.508 3.602 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000590926882 855657283 /nfs/dbraw/zinc/65/72/83/855657283.db2.gz YPGCBSYZUHITOK-HOTGVXAUSA-N 1 0 382.508 3.924 20 30 GHEDRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(C#N)c1 ZINC000590928212 855658216 /nfs/dbraw/zinc/65/82/16/855658216.db2.gz UAACGIVBIMSJKZ-CQSZACIVSA-N 1 0 382.430 3.677 20 30 GHEDRO Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)n2c3ccccc3nc2c1C#N ZINC000301543478 855713648 /nfs/dbraw/zinc/71/36/48/855713648.db2.gz OSGKMYIVHMADTQ-UHFFFAOYSA-N 1 0 391.519 3.605 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000191678278 855717623 /nfs/dbraw/zinc/71/76/23/855717623.db2.gz BGMFXUDMYPDOTG-UHFFFAOYSA-N 1 0 390.405 3.773 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508896432 855719306 /nfs/dbraw/zinc/71/93/06/855719306.db2.gz SNQIYSSAIUJUGL-UHFFFAOYSA-N 1 0 393.560 3.747 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000301621210 855729562 /nfs/dbraw/zinc/72/95/62/855729562.db2.gz FFUGYCPCTVVIGH-IYBDPMFKSA-N 1 0 379.464 3.951 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(c3nc4c(cc3C#N)CCCC4)CC2)C[C@@H](C)O1 ZINC000301907727 855779737 /nfs/dbraw/zinc/77/97/37/855779737.db2.gz ZVVLUGSFUPNQNB-QZTJIDSGSA-N 1 0 382.552 3.548 20 30 GHEDRO COc1cccc([C@@H]2[C@H](Nc3ccc(C#N)cc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000302041566 855806157 /nfs/dbraw/zinc/80/61/57/855806157.db2.gz LPNKIMUQKSDPAZ-TZIWHRDSSA-N 1 0 378.432 3.865 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000417658790 855813686 /nfs/dbraw/zinc/81/36/86/855813686.db2.gz XSMSAEPWYZPDDP-UHFFFAOYSA-N 1 0 383.492 3.856 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000108722648 855993833 /nfs/dbraw/zinc/99/38/33/855993833.db2.gz WEYBVTYNTSMGHJ-OAHLLOKOSA-N 1 0 396.447 3.887 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCOc2cccc(Br)c2)CC1 ZINC000520682776 856012647 /nfs/dbraw/zinc/01/26/47/856012647.db2.gz OWYOPVOZYGTIFI-UHFFFAOYSA-N 1 0 395.341 3.765 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000181090964 862747898 /nfs/dbraw/zinc/74/78/98/862747898.db2.gz JRAKIUNULOHSGW-JBACZVJFSA-N 1 0 378.605 3.710 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000123169241 856021692 /nfs/dbraw/zinc/02/16/92/856021692.db2.gz CTMCMAGMMHOZJB-GOSISDBHSA-N 1 0 387.405 3.890 20 30 GHEDRO C#CCO[C@H](C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC001126993815 856060958 /nfs/dbraw/zinc/06/09/58/856060958.db2.gz AOPFTMCDSKJHSD-DNVCBOLYSA-N 1 0 399.362 3.947 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(F)c1 ZINC000171292842 856079767 /nfs/dbraw/zinc/07/97/67/856079767.db2.gz SFZFHTVRSSSHJU-OAQYLSRUSA-N 1 0 380.467 3.674 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1)CC1CC1 ZINC000459131130 856105588 /nfs/dbraw/zinc/10/55/88/856105588.db2.gz WQBLKIIVHUNCRD-UHFFFAOYSA-N 1 0 386.515 3.741 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000303934859 856205317 /nfs/dbraw/zinc/20/53/17/856205317.db2.gz WEWJVEQKXZHJCT-UHFFFAOYSA-N 1 0 379.342 3.837 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000674371116 856221666 /nfs/dbraw/zinc/22/16/66/856221666.db2.gz KMRNONKLSSKBDS-RXVVDRJESA-N 1 0 394.544 3.879 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(-c2ccc(C#N)cc2)n1 ZINC000665169515 856229188 /nfs/dbraw/zinc/22/91/88/856229188.db2.gz XEAYATSTOQYLET-XMMPIXPASA-N 1 0 398.466 3.569 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000171722066 856241847 /nfs/dbraw/zinc/24/18/47/856241847.db2.gz WHHSKPUIODFIRI-UHFFFAOYSA-N 1 0 378.476 3.711 20 30 GHEDRO C#CCN(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000921746277 856271103 /nfs/dbraw/zinc/27/11/03/856271103.db2.gz YHKUEBRVXISSJK-QGZVFWFLSA-N 1 0 385.405 3.558 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508903394 856378142 /nfs/dbraw/zinc/37/81/42/856378142.db2.gz OQZYRQGBUJHZJE-WOJBJXKFSA-N 1 0 397.567 3.933 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000591923920 856402473 /nfs/dbraw/zinc/40/24/73/856402473.db2.gz PFFAHZPYKIBAKW-RBUKOAKNSA-N 1 0 384.911 3.940 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000046104931 856490362 /nfs/dbraw/zinc/49/03/62/856490362.db2.gz UNVQAJBDLVKCMF-SFHVURJKSA-N 1 0 394.519 3.839 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000592044837 856636555 /nfs/dbraw/zinc/63/65/55/856636555.db2.gz QTDIUPVAMJHFHH-UHFFFAOYSA-N 1 0 376.504 3.559 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2OCCOc2ccccc2)CC1 ZINC000592069510 856650638 /nfs/dbraw/zinc/65/06/38/856650638.db2.gz SRUXMVNGZHZGTA-UHFFFAOYSA-N 1 0 380.488 3.525 20 30 GHEDRO N#CC1(CCC[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000592144990 856677322 /nfs/dbraw/zinc/67/73/22/856677322.db2.gz LWTYKPDVXHBJIV-KRWDZBQOSA-N 1 0 386.414 3.699 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CCC3)o2)cc1 ZINC000592138975 856685657 /nfs/dbraw/zinc/68/56/57/856685657.db2.gz KZAHUNZJEDHJMA-NRFANRHFSA-N 1 0 388.471 3.771 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154057 856757047 /nfs/dbraw/zinc/75/70/47/856757047.db2.gz LGDYRVOLNCSYOO-JOCHJYFZSA-N 1 0 390.531 3.872 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000592313702 856775746 /nfs/dbraw/zinc/77/57/46/856775746.db2.gz WMLCILJVDORTDY-UHFFFAOYSA-N 1 0 376.298 3.701 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2cc(C#N)c3ccccc3n2)cc1 ZINC001128829435 856802391 /nfs/dbraw/zinc/80/23/91/856802391.db2.gz NTGBKGUJWLGRTN-UHFFFAOYSA-N 1 0 388.471 3.618 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000173279807 856830238 /nfs/dbraw/zinc/83/02/38/856830238.db2.gz FWTZQFMCZODMBI-FQEVSTJZSA-N 1 0 393.487 3.725 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000465900009 856834745 /nfs/dbraw/zinc/83/47/45/856834745.db2.gz VNSYPINODPXSPP-KMFTYDHNSA-N 1 0 398.551 3.622 20 30 GHEDRO C=CC[C@H](CC)NC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000281120996 862845615 /nfs/dbraw/zinc/84/56/15/862845615.db2.gz AKOMUFRYCJGCLY-SFHVURJKSA-N 1 0 388.556 3.668 20 30 GHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159601550 862852758 /nfs/dbraw/zinc/85/27/58/862852758.db2.gz XCJSDZKHKSVYCK-ZIAGYGMSSA-N 1 0 383.330 3.768 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@@H]2CCCO2)C2CCCC2)sc2c1CCC2 ZINC000173576885 857003268 /nfs/dbraw/zinc/00/32/68/857003268.db2.gz KCMWPVOMXYVROO-INIZCTEOSA-N 1 0 387.549 3.861 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CNc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000921893470 857015298 /nfs/dbraw/zinc/01/52/98/857015298.db2.gz WMISYBXCARPMQL-UHFFFAOYSA-N 1 0 390.531 3.527 20 30 GHEDRO CC(C)N(C(=O)c1ncc(C#N)cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592694606 857029554 /nfs/dbraw/zinc/02/95/54/857029554.db2.gz IWCZJHGLCGWJHU-GOSISDBHSA-N 1 0 382.895 3.732 20 30 GHEDRO C=CCOCCC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000658210106 857042829 /nfs/dbraw/zinc/04/28/29/857042829.db2.gz OEEUWPGQGMAUSJ-CYBMUJFWSA-N 1 0 379.302 3.582 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC2CCC(C#N)CC2)ccc1S(=O)(=O)C(F)F ZINC000282165729 857074753 /nfs/dbraw/zinc/07/47/53/857074753.db2.gz DPHQDKYQKBPSQH-HSBZDZAISA-N 1 0 386.464 3.672 20 30 GHEDRO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)ccc1C#N ZINC000488984410 857111839 /nfs/dbraw/zinc/11/18/39/857111839.db2.gz PVAZZPXCJWQZAZ-KRWDZBQOSA-N 1 0 383.517 3.600 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC1 ZINC000592898000 857128823 /nfs/dbraw/zinc/12/88/23/857128823.db2.gz ZGJYZDWYMYYHLT-UHFFFAOYSA-N 1 0 392.475 3.784 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000112532127 857147019 /nfs/dbraw/zinc/14/70/19/857147019.db2.gz OPLKVUWSNRTUMG-NEPJUHHUSA-N 1 0 384.461 3.694 20 30 GHEDRO CCCCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000112613334 857163457 /nfs/dbraw/zinc/16/34/57/857163457.db2.gz BQGDWCHCDUDXOU-UHFFFAOYSA-N 1 0 377.554 3.702 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000173824058 857165020 /nfs/dbraw/zinc/16/50/20/857165020.db2.gz CDXCCVWSGJVOCO-CVEARBPZSA-N 1 0 399.466 3.829 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1F ZINC000173836775 857166698 /nfs/dbraw/zinc/16/66/98/857166698.db2.gz FLWLESOKMFHZOB-HOTGVXAUSA-N 1 0 399.466 3.829 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccccc1C#N ZINC000508328483 857170471 /nfs/dbraw/zinc/17/04/71/857170471.db2.gz VGVZDGYWLGKAMW-OAHLLOKOSA-N 1 0 398.488 3.707 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282184936 857180235 /nfs/dbraw/zinc/18/02/35/857180235.db2.gz FSTUICZQTWQCPB-MRXNPFEDSA-N 1 0 387.503 3.710 20 30 GHEDRO Cc1ccccc1C1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1 ZINC000593038729 857193588 /nfs/dbraw/zinc/19/35/88/857193588.db2.gz GOUYZYWVCVLIFP-UHFFFAOYSA-N 1 0 385.471 3.660 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1Cl ZINC000593055215 857204476 /nfs/dbraw/zinc/20/44/76/857204476.db2.gz RNUQRNJPYUEEOD-UHFFFAOYSA-N 1 0 389.780 3.907 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000245961824 857207681 /nfs/dbraw/zinc/20/76/81/857207681.db2.gz YGTRHJZTEWDXDM-FGTMMUONSA-N 1 0 377.488 3.658 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000174152693 857216652 /nfs/dbraw/zinc/21/66/52/857216652.db2.gz ZXBDBEWBJGODJW-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000174170745 857218702 /nfs/dbraw/zinc/21/87/02/857218702.db2.gz QQCUKIXGXUSVNB-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000554957003 857226982 /nfs/dbraw/zinc/22/69/82/857226982.db2.gz QTOMHQOQUOAOIL-KRWDZBQOSA-N 1 0 385.533 3.547 20 30 GHEDRO Cc1nc(-c2ccccc2)oc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000174350657 857261392 /nfs/dbraw/zinc/26/13/92/857261392.db2.gz ICJJOMMFRKYOGC-UHFFFAOYSA-N 1 0 388.471 3.726 20 30 GHEDRO CS(=O)(=O)C1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000174458917 857316036 /nfs/dbraw/zinc/31/60/36/857316036.db2.gz SMVGAJYOHFFSFU-UHFFFAOYSA-N 1 0 398.528 3.583 20 30 GHEDRO CC(C)Oc1ncccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593143278 857365845 /nfs/dbraw/zinc/36/58/45/857365845.db2.gz IKOOTRSMLNWCDV-UHFFFAOYSA-N 1 0 393.491 3.527 20 30 GHEDRO N#C[C@]1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC2CCC1CC2 ZINC000906948724 857407920 /nfs/dbraw/zinc/40/79/20/857407920.db2.gz UEBFKQHQOKERDY-VBVCHWQCSA-N 1 0 381.520 3.549 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CN2CCCCC2)cc1OC ZINC000520953390 857433521 /nfs/dbraw/zinc/43/35/21/857433521.db2.gz DKDGIPLNEXELJV-HNNXBMFYSA-N 1 0 397.357 3.987 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000438888720 857444595 /nfs/dbraw/zinc/44/45/95/857444595.db2.gz WUBXHRBXOYUXNF-UHFFFAOYSA-N 1 0 397.906 3.633 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2cnn(-c3ccccc3)c2)c(-c2ccccc2)n1 ZINC000113319326 857451559 /nfs/dbraw/zinc/45/15/59/857451559.db2.gz ASPJNNKFVIBKDN-UHFFFAOYSA-N 1 0 396.498 3.982 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000502548544 857481620 /nfs/dbraw/zinc/48/16/20/857481620.db2.gz LUWVPVAQXNZMFW-NRFANRHFSA-N 1 0 382.891 3.878 20 30 GHEDRO CC[NH+](CC)C[C@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552989767 857495091 /nfs/dbraw/zinc/49/50/91/857495091.db2.gz HZQZIISXYIHTLV-INIZCTEOSA-N 1 0 390.959 3.665 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000521082384 857593592 /nfs/dbraw/zinc/59/35/92/857593592.db2.gz BCEXLUHNMOCODZ-GDBMZVCRSA-N 1 0 379.426 3.836 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000593580527 857631401 /nfs/dbraw/zinc/63/14/01/857631401.db2.gz GNFRXMHPSAACBA-UTKZUKDTSA-N 1 0 399.560 3.766 20 30 GHEDRO C=C(C)[C@@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)c1ccc(F)c(F)c1 ZINC000907462104 857654152 /nfs/dbraw/zinc/65/41/52/857654152.db2.gz YMOISRQLZWAMKR-OAQYLSRUSA-N 1 0 379.495 3.504 20 30 GHEDRO CCC(C)(C)[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000594019843 857839355 /nfs/dbraw/zinc/83/93/55/857839355.db2.gz ADBMUHDPJSVDSD-HXUWFJFHSA-N 1 0 384.568 3.745 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1Cl ZINC000114192091 857935507 /nfs/dbraw/zinc/93/55/07/857935507.db2.gz VWFKGRTXDHQAFZ-HXUWFJFHSA-N 1 0 383.879 3.522 20 30 GHEDRO N#C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000594286799 858028322 /nfs/dbraw/zinc/02/83/22/858028322.db2.gz YLGRNIQLJCWHGX-PBHICJAKSA-N 1 0 398.359 3.892 20 30 GHEDRO C=C(C)CN(CC)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000466060575 858098098 /nfs/dbraw/zinc/09/80/98/858098098.db2.gz BHVRZCIEVYGURH-UHFFFAOYSA-N 1 0 398.473 3.565 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000574632112 858123955 /nfs/dbraw/zinc/12/39/55/858123955.db2.gz NRKPODSMPYWEJM-UZLBHIALSA-N 1 0 388.414 3.567 20 30 GHEDRO COc1ccccc1[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594433213 858176395 /nfs/dbraw/zinc/17/63/95/858176395.db2.gz MIEAXIBUHKDEHH-ICSRJNTNSA-N 1 0 385.895 3.965 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000594441152 858178172 /nfs/dbraw/zinc/17/81/72/858178172.db2.gz NVIOUVXDIVPMJW-INIZCTEOSA-N 1 0 383.402 3.858 20 30 GHEDRO CC(C)N1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594447545 858179748 /nfs/dbraw/zinc/17/97/48/858179748.db2.gz YJJOJKSEIZXDAY-GBESFXJTSA-N 1 0 394.922 3.530 20 30 GHEDRO C[NH+](C)CCn1c2cc(NCc3ccc(C(C)(C)C#N)cc3)ccc2oc1=O ZINC000594504793 858195396 /nfs/dbraw/zinc/19/53/96/858195396.db2.gz KWLFDIZCKXNSIX-UHFFFAOYSA-N 1 0 378.476 3.569 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H](C[C@H]3CCCO3)C(F)(F)F)CC2)cc1 ZINC000594519779 858207857 /nfs/dbraw/zinc/20/78/57/858207857.db2.gz LLHYDZPDZIETPH-MOPGFXCFSA-N 1 0 381.442 3.612 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3cccc(-n4cccn4)c3C#N)CC2)c1 ZINC000594586838 858230919 /nfs/dbraw/zinc/23/09/19/858230919.db2.gz IUZAGFMKPLLEID-UHFFFAOYSA-N 1 0 382.471 3.692 20 30 GHEDRO COc1ccc([C@H](CNC(=O)NCC2(C#N)CCCCC2)[NH+]2CCCC2)cc1 ZINC000594688800 858253866 /nfs/dbraw/zinc/25/38/66/858253866.db2.gz YYVODJQUERHCFM-FQEVSTJZSA-N 1 0 384.524 3.605 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1c(F)cncc1Br ZINC000594917948 858304346 /nfs/dbraw/zinc/30/43/46/858304346.db2.gz MLDWUSBANJKQMU-UHFFFAOYSA-N 1 0 380.286 3.878 20 30 GHEDRO COC[C@@H](C)Oc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000594936229 858339232 /nfs/dbraw/zinc/33/92/32/858339232.db2.gz WMOUDIKMRKQXFC-FEPNQTLGSA-N 1 0 395.503 3.847 20 30 GHEDRO CCCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000594938751 858340853 /nfs/dbraw/zinc/34/08/53/858340853.db2.gz PTRWYIJXZVMQPC-QFIPXVFZSA-N 1 0 377.488 3.546 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccnc2N2CCCC2)c(-c2ccccc2)n1 ZINC000594957535 858345061 /nfs/dbraw/zinc/34/50/61/858345061.db2.gz RFTSVQWKSMREEK-UHFFFAOYSA-N 1 0 386.503 3.749 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccc(C#N)cc1 ZINC000521822533 858355481 /nfs/dbraw/zinc/35/54/81/858355481.db2.gz UWCZZWOJGSFHBV-OAQYLSRUSA-N 1 0 377.488 3.656 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)c1)O[C@H](C)C2 ZINC000594983184 858356798 /nfs/dbraw/zinc/35/67/98/858356798.db2.gz GTTJRQDZJRADJR-MRXNPFEDSA-N 1 0 378.472 3.686 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3csc(-c4ccsc4)n3)CC2)nc1 ZINC000067010944 858394984 /nfs/dbraw/zinc/39/49/84/858394984.db2.gz LHCICQARQHAAFJ-UHFFFAOYSA-N 1 0 381.530 3.897 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cnc(-c4ccccc4)s3)CC2)nc1 ZINC000067010930 858395025 /nfs/dbraw/zinc/39/50/25/858395025.db2.gz LBLIBDFATQPWNP-UHFFFAOYSA-N 1 0 375.501 3.835 20 30 GHEDRO N#CCC[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000595268305 858457811 /nfs/dbraw/zinc/45/78/11/858457811.db2.gz IBQSSFAKDKJRMB-WMQCIHAUSA-N 1 0 398.457 3.755 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CC[C@@H]3Sc4ccccc4NC3=O)CC2)cc1 ZINC000595301963 858466545 /nfs/dbraw/zinc/46/65/45/858466545.db2.gz HLKNMRFYPBNKRI-NRFANRHFSA-N 1 0 393.512 3.905 20 30 GHEDRO CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000595305428 858467531 /nfs/dbraw/zinc/46/75/31/858467531.db2.gz ZWYQFYGLBUAFOK-IBGZPJMESA-N 1 0 383.536 3.686 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000595423513 858526206 /nfs/dbraw/zinc/52/62/06/858526206.db2.gz CFHSZZDENNGUNT-FQEVSTJZSA-N 1 0 391.519 3.832 20 30 GHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593017910 858537747 /nfs/dbraw/zinc/53/77/47/858537747.db2.gz HJHYTJGRNGYPAC-SFHVURJKSA-N 1 0 375.432 3.789 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511538 858550021 /nfs/dbraw/zinc/55/00/21/858550021.db2.gz SRKYZRCIAHPQHS-ITGJCUMNSA-N 1 0 396.579 3.560 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C(=O)NC1(C#N)CCC1 ZINC000575078748 858576445 /nfs/dbraw/zinc/57/64/45/858576445.db2.gz CNWPWYDCHSEKGM-JQFCIGGWSA-N 1 0 379.426 3.882 20 30 GHEDRO C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C[NH+]1CCCCC1 ZINC000522071293 858590714 /nfs/dbraw/zinc/59/07/14/858590714.db2.gz HOSUEWDODKFZDP-IBGZPJMESA-N 1 0 376.504 3.725 20 30 GHEDRO CCCn1c2ccccc2nc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000575218172 858608004 /nfs/dbraw/zinc/60/80/04/858608004.db2.gz UHPZGMFLUWXNAR-UHFFFAOYSA-N 1 0 375.520 3.882 20 30 GHEDRO C=CC[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000522083768 858608409 /nfs/dbraw/zinc/60/84/09/858608409.db2.gz QMIQKBZSUFTMGG-MRXNPFEDSA-N 1 0 386.459 3.665 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000046888620 858611732 /nfs/dbraw/zinc/61/17/32/858611732.db2.gz MUUSGSORPDXZME-UHFFFAOYSA-N 1 0 376.504 3.886 20 30 GHEDRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000595640129 858622397 /nfs/dbraw/zinc/62/23/97/858622397.db2.gz OFGCLEILFAPGBV-UHFFFAOYSA-N 1 0 392.503 3.504 20 30 GHEDRO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000593091776 858631755 /nfs/dbraw/zinc/63/17/55/858631755.db2.gz LYLQTWPKHCEJPM-OAHLLOKOSA-N 1 0 377.510 3.535 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@]4(CC4(F)F)C3)sc2C1 ZINC000593118837 858664032 /nfs/dbraw/zinc/66/40/32/858664032.db2.gz SOPJCBNTWMKCLG-KPZWWZAWSA-N 1 0 379.476 3.804 20 30 GHEDRO C=CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)(C)C ZINC000595765515 858664182 /nfs/dbraw/zinc/66/41/82/858664182.db2.gz KBLPOGRITITHAR-QGZVFWFLSA-N 1 0 398.551 3.643 20 30 GHEDRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595772149 858665587 /nfs/dbraw/zinc/66/55/87/858665587.db2.gz FIEDYVRSJKWFKS-UHFFFAOYSA-N 1 0 391.515 3.591 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C)O[C@@H](C)C3)sc2C1 ZINC000595781439 858686169 /nfs/dbraw/zinc/68/61/69/858686169.db2.gz TVZWBEFGIWBNMR-KFWWJZLASA-N 1 0 375.538 3.572 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1Cl ZINC000595786957 858688138 /nfs/dbraw/zinc/68/81/38/858688138.db2.gz DCYUPQFYULCPGP-VQIMIIECSA-N 1 0 375.900 3.821 20 30 GHEDRO COc1ccc(C)cc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593137562 858754881 /nfs/dbraw/zinc/75/48/81/858754881.db2.gz IXEGGMGZNFARGC-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)[NH+]2CCCCC2)cc1 ZINC000596090676 858779736 /nfs/dbraw/zinc/77/97/36/858779736.db2.gz RROPNXXXAUCGHJ-RXVVDRJESA-N 1 0 384.524 3.557 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116063725 858810006 /nfs/dbraw/zinc/81/00/06/858810006.db2.gz RUJGUTGOEZZBRP-QZTJIDSGSA-N 1 0 377.488 3.667 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(c3nc(C#N)c(Cl)s3)C2)ccn1 ZINC000856535368 881345994 /nfs/dbraw/zinc/34/59/94/881345994.db2.gz WQARSXTYGONGOR-HNNXBMFYSA-N 1 0 391.928 3.561 20 30 GHEDRO COc1cc(C)c(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1F ZINC000593183444 858914717 /nfs/dbraw/zinc/91/47/17/858914717.db2.gz WZTBYYPVCLAXFD-UHFFFAOYSA-N 1 0 396.466 3.801 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000596671954 858984894 /nfs/dbraw/zinc/98/48/94/858984894.db2.gz HUXZBTCQTSISQG-XXBNENTESA-N 1 0 390.531 3.795 20 30 GHEDRO C=CCC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000160547829 858996190 /nfs/dbraw/zinc/99/61/90/858996190.db2.gz GBHXUNISHUCMGB-BDTNDASRSA-N 1 0 385.552 3.761 20 30 GHEDRO C=CCCSCCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000596708135 859021671 /nfs/dbraw/zinc/02/16/71/859021671.db2.gz MBZNGAVXYLHLFY-UHFFFAOYSA-N 1 0 379.595 3.709 20 30 GHEDRO N#Cc1ccc(CCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000596708989 859022572 /nfs/dbraw/zinc/02/25/72/859022572.db2.gz SEQAHPJNXCTCGT-UHFFFAOYSA-N 1 0 394.544 3.514 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)CC1(C#N)CCOCC1)c1ccccc1Cl ZINC000596709586 859023476 /nfs/dbraw/zinc/02/34/76/859023476.db2.gz GSXGJAHPXMJFAD-SFHVURJKSA-N 1 0 377.916 3.550 20 30 GHEDRO N#CCCCCCC(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923169224 859095820 /nfs/dbraw/zinc/09/58/20/859095820.db2.gz ZMPBHPRKWSZYBH-NRFANRHFSA-N 1 0 383.536 3.790 20 30 GHEDRO N#Cc1ccsc1C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923182255 859101847 /nfs/dbraw/zinc/10/18/47/859101847.db2.gz FNPIQLPDRPZTCL-IBGZPJMESA-N 1 0 395.528 3.563 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000596827261 859109538 /nfs/dbraw/zinc/10/95/38/859109538.db2.gz BOKBKYSYJLCAAE-UYAOXDASSA-N 1 0 375.463 3.664 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185701931 859118141 /nfs/dbraw/zinc/11/81/41/859118141.db2.gz JFSJGMDUMNTBME-RTWAWAEBSA-N 1 0 396.579 3.793 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CCCN(C(=O)c4cccc(F)c4)CC3)cc2)CC1 ZINC000596979058 859208334 /nfs/dbraw/zinc/20/83/34/859208334.db2.gz GTXPHZDPCFPUOE-UHFFFAOYSA-N 1 0 377.463 3.729 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429386550 859218645 /nfs/dbraw/zinc/21/86/45/859218645.db2.gz QBNOHSHNVAANJZ-HKUYNNGSSA-N 1 0 392.341 3.717 20 30 GHEDRO COCCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000069072116 859329133 /nfs/dbraw/zinc/32/91/33/859329133.db2.gz UBMNBMFKRCGQSI-INIZCTEOSA-N 1 0 385.895 3.537 20 30 GHEDRO CCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000060485166 859332186 /nfs/dbraw/zinc/33/21/86/859332186.db2.gz GBBYEEHDEGMAGT-AWEZNQCLSA-N 1 0 375.538 3.574 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000108709052 859342820 /nfs/dbraw/zinc/34/28/20/859342820.db2.gz YQQFEMINBBYXCM-CCYWVKEMSA-N 1 0 384.523 3.745 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000429430326 859355163 /nfs/dbraw/zinc/35/51/63/859355163.db2.gz LAFUZVHRUZWWLT-CZUORRHYSA-N 1 0 391.284 3.962 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccc(C#N)cc1F ZINC000429439375 859373527 /nfs/dbraw/zinc/37/35/27/859373527.db2.gz DDZNCAUCPNMWSK-ZFWWWQNUSA-N 1 0 391.284 3.962 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc4cccnc4c3)CC2)cc1 ZINC000601628509 859390422 /nfs/dbraw/zinc/39/04/22/859390422.db2.gz SQHUCWCWUYQCOO-UHFFFAOYSA-N 1 0 399.498 3.524 20 30 GHEDRO C=CCN(CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)Cc1cccs1 ZINC000195664983 859395235 /nfs/dbraw/zinc/39/52/35/859395235.db2.gz LZVSZMWUYXTMTP-UHFFFAOYSA-N 1 0 394.544 3.855 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000593330980 859432225 /nfs/dbraw/zinc/43/22/25/859432225.db2.gz PAXPQDVHPTZARJ-FCHUYYIVSA-N 1 0 392.478 3.517 20 30 GHEDRO CC[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1nc(C)cs1 ZINC000593340307 859479720 /nfs/dbraw/zinc/47/97/20/859479720.db2.gz YLTKBRCBKMCCFP-IBGZPJMESA-N 1 0 397.548 3.738 20 30 GHEDRO Cc1nc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)sc1Br ZINC000922305493 859517904 /nfs/dbraw/zinc/51/79/04/859517904.db2.gz QDFFNFDITSPJDZ-UHFFFAOYSA-N 1 0 391.338 3.844 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000597426896 859528660 /nfs/dbraw/zinc/52/86/60/859528660.db2.gz MKPAJHCJHNDBCB-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC1CCOCC1 ZINC000155971584 859531760 /nfs/dbraw/zinc/53/17/60/859531760.db2.gz QTMWKDXZOQZFQJ-CQSZACIVSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 ZINC000593351872 859531918 /nfs/dbraw/zinc/53/19/18/859531918.db2.gz ULIIEBOZGORWPQ-VXKWHMMOSA-N 1 0 377.463 3.582 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(COc3ccc(C)nc3)c2)CC1 ZINC000114331219 859546400 /nfs/dbraw/zinc/54/64/00/859546400.db2.gz MVLUAVCQSPMQNY-UHFFFAOYSA-N 1 0 379.504 3.739 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)c(F)c(F)c3F)CC2)c1 ZINC000593354223 859551817 /nfs/dbraw/zinc/55/18/17/859551817.db2.gz YGUKICSBDUGBIZ-UHFFFAOYSA-N 1 0 391.368 3.509 20 30 GHEDRO C[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCc2ccccc21 ZINC000593355918 859564987 /nfs/dbraw/zinc/56/49/87/859564987.db2.gz SNVFTAROLRMLJC-RUZDIDTESA-N 1 0 387.527 3.933 20 30 GHEDRO C[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCc2ccccc21 ZINC000593355919 859565306 /nfs/dbraw/zinc/56/53/06/859565306.db2.gz SNVFTAROLRMLJC-VWLOTQADSA-N 1 0 387.527 3.933 20 30 GHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000069577641 859578582 /nfs/dbraw/zinc/57/85/82/859578582.db2.gz ROJWFVBLLOSYBY-SFHVURJKSA-N 1 0 395.528 3.550 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000126987839 859601300 /nfs/dbraw/zinc/60/13/00/859601300.db2.gz RTHZCOGZHFBZIU-LJQANCHMSA-N 1 0 382.895 3.733 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000611146044 859621290 /nfs/dbraw/zinc/62/12/90/859621290.db2.gz ITQFWRARGINTEQ-UHFFFAOYSA-N 1 0 376.220 3.545 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474230980 859652539 /nfs/dbraw/zinc/65/25/39/859652539.db2.gz UNVRDPQZLAYGOT-HXUWFJFHSA-N 1 0 396.922 3.747 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC000611233236 859662205 /nfs/dbraw/zinc/66/22/05/859662205.db2.gz QIPOYZBWHUAFHI-IRXDYDNUSA-N 1 0 380.467 3.502 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c(F)cccc1C#N ZINC000552069222 859687288 /nfs/dbraw/zinc/68/72/88/859687288.db2.gz JCTYUXVREHFCTL-LJQANCHMSA-N 1 0 379.479 3.610 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593391634 859705672 /nfs/dbraw/zinc/70/56/72/859705672.db2.gz BEVIUHMULJGYBM-JOCHJYFZSA-N 1 0 376.504 3.740 20 30 GHEDRO CS[C@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)(C)C ZINC000593391897 859705724 /nfs/dbraw/zinc/70/57/24/859705724.db2.gz PMDHDZLYDWZKLX-LJQANCHMSA-N 1 0 388.581 3.600 20 30 GHEDRO C[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)c1cccc(C#N)c1 ZINC000611387358 859731533 /nfs/dbraw/zinc/73/15/33/859731533.db2.gz MAUCVOMAZUQMGH-HNNXBMFYSA-N 1 0 377.469 3.571 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+][C@@H]3CCCc4cc(C#N)ccc43)C2)cc(OC)c1 ZINC000611393855 859735678 /nfs/dbraw/zinc/73/56/78/859735678.db2.gz PHYITHHUDRXLCO-GBXCKJPGSA-N 1 0 391.515 3.817 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000611391204 859741344 /nfs/dbraw/zinc/74/13/44/859741344.db2.gz BIQYISWFVHZLBT-FXAWDEMLSA-N 1 0 390.405 3.984 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](Cn3cccn3)c3ccccc3)CC2)cc1 ZINC000611438583 859761248 /nfs/dbraw/zinc/76/12/48/859761248.db2.gz LALVBQUIFBZLBO-DEOSSOPVSA-N 1 0 385.515 3.750 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(C)nn(C)c1C ZINC000543456402 859769120 /nfs/dbraw/zinc/76/91/20/859769120.db2.gz GFEZMXQBEYBVDP-RHSMWYFYSA-N 1 0 399.564 3.968 20 30 GHEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000611498646 859785773 /nfs/dbraw/zinc/78/57/73/859785773.db2.gz CDVZDEIZRDRPDP-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000466531608 859890528 /nfs/dbraw/zinc/89/05/28/859890528.db2.gz UOQKUCVBKIGHET-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1CCC#N ZINC000895746777 859894131 /nfs/dbraw/zinc/89/41/31/859894131.db2.gz CRKBOYRSNPRGGS-HDICACEKSA-N 1 0 393.535 3.513 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123561551 859999505 /nfs/dbraw/zinc/99/95/05/859999505.db2.gz AFZURHPJGMXKQB-QGZVFWFLSA-N 1 0 379.895 3.784 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@](CO)(C(F)(F)F)C3)c2)c1 ZINC000895847893 860002956 /nfs/dbraw/zinc/00/29/56/860002956.db2.gz XHFOWXUEWJOPRU-FQEVSTJZSA-N 1 0 390.405 3.884 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(C(F)(F)F)s3)C2=O)cc1 ZINC000428855611 860005660 /nfs/dbraw/zinc/00/56/60/860005660.db2.gz HDWZDTBDJJDQMZ-HNNXBMFYSA-N 1 0 379.407 3.924 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000555100038 860024366 /nfs/dbraw/zinc/02/43/66/860024366.db2.gz XUZXREREKRHMSN-LJQANCHMSA-N 1 0 377.410 3.978 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC000593510313 860050054 /nfs/dbraw/zinc/05/00/54/860050054.db2.gz MMVQARAJEUQEIU-UHFFFAOYSA-N 1 0 388.515 3.897 20 30 GHEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CCCCC1 ZINC000602518253 860070925 /nfs/dbraw/zinc/07/09/25/860070925.db2.gz OMKYZFKASHTOTE-FPOVZHCZSA-N 1 0 385.552 3.911 20 30 GHEDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)N1CCCCC1 ZINC000602518256 860071376 /nfs/dbraw/zinc/07/13/76/860071376.db2.gz OMKYZFKASHTOTE-TZIWHRDSSA-N 1 0 385.552 3.911 20 30 GHEDRO C[C@H](CCC#N)C[NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000602520206 860072792 /nfs/dbraw/zinc/07/27/92/860072792.db2.gz KWZLVFUPDFUTHY-GOSISDBHSA-N 1 0 381.499 3.577 20 30 GHEDRO CN(Cc1c(F)cccc1F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593514714 860086181 /nfs/dbraw/zinc/08/61/81/860086181.db2.gz AFUZEXIOYBUXSP-UHFFFAOYSA-N 1 0 398.457 3.642 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000602543529 860088156 /nfs/dbraw/zinc/08/81/56/860088156.db2.gz CNSZMGMJRCDDOL-HNNXBMFYSA-N 1 0 376.298 3.629 20 30 GHEDRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602542796 860089519 /nfs/dbraw/zinc/08/95/19/860089519.db2.gz XOELBHBZDWIAKK-HZPDHXFCSA-N 1 0 394.313 3.532 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000602523684 860096881 /nfs/dbraw/zinc/09/68/81/860096881.db2.gz GBJUOGGIOUHQQP-KRWDZBQOSA-N 1 0 378.314 3.599 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000602554047 860107396 /nfs/dbraw/zinc/10/73/96/860107396.db2.gz ZATVWGSVCUOJJY-APWZRJJASA-N 1 0 395.469 3.968 20 30 GHEDRO C[C@@H](NC1(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)CCOCC1)c1ccccc1 ZINC000602557353 860109639 /nfs/dbraw/zinc/10/96/39/860109639.db2.gz ZPTSKTASUOOHFH-VQTJNVASSA-N 1 0 385.552 3.575 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000602560574 860111956 /nfs/dbraw/zinc/11/19/56/860111956.db2.gz YOXWXLCPGDSWDO-RDJZCZTQSA-N 1 0 381.442 3.973 20 30 GHEDRO CC(C)[C@@H]1N(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC12CC=CC2 ZINC000593516959 860135168 /nfs/dbraw/zinc/13/51/68/860135168.db2.gz RHUNNHLRPZETSI-QFIPXVFZSA-N 1 0 392.547 3.909 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)o2)cc1 ZINC000598221515 860166718 /nfs/dbraw/zinc/16/67/18/860166718.db2.gz WUSSEHRXGRFCCO-GOSISDBHSA-N 1 0 393.487 3.867 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCSC4(CCC4)CC3)CC2)c1 ZINC000593518906 860168517 /nfs/dbraw/zinc/16/85/17/860168517.db2.gz XZDDCWPRYINVHO-UHFFFAOYSA-N 1 0 398.576 3.594 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)c(C#N)c1C ZINC000484644399 860215283 /nfs/dbraw/zinc/21/52/83/860215283.db2.gz DZTMSHQDXCRWJL-PMACEKPBSA-N 1 0 381.476 3.995 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2Oc2ccccc2C)c(C#N)c1C ZINC000484644159 860215650 /nfs/dbraw/zinc/21/56/50/860215650.db2.gz UQWHGGLBAGADFQ-UYAOXDASSA-N 1 0 381.476 3.995 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000508949905 860227752 /nfs/dbraw/zinc/22/77/52/860227752.db2.gz IYMAFIWVHRCGBY-NRFANRHFSA-N 1 0 388.519 3.627 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1C#N ZINC000132617765 860279954 /nfs/dbraw/zinc/27/99/54/860279954.db2.gz VSZVTQQVPIVNPO-UHFFFAOYSA-N 1 0 386.565 3.747 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909741 860342703 /nfs/dbraw/zinc/34/27/03/860342703.db2.gz NARDPLYWEQAAOV-UHFFFAOYSA-N 1 0 398.894 3.823 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000474564972 860353906 /nfs/dbraw/zinc/35/39/06/860353906.db2.gz ZZIMMWXAIAEYRO-HXUWFJFHSA-N 1 0 398.551 3.622 20 30 GHEDRO COc1ccnc(O[C@@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)c1 ZINC001170398088 881531776 /nfs/dbraw/zinc/53/17/76/881531776.db2.gz LKTVBDAQLCRECJ-YUVVGHDESA-N 1 0 377.488 3.947 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)cn2)c1 ZINC000765660889 860390139 /nfs/dbraw/zinc/39/01/39/860390139.db2.gz GDOGGGKXJASRDC-LJQANCHMSA-N 1 0 391.475 3.884 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(NC(=O)c3ccccn3)CC2)CC1 ZINC001170398608 881532746 /nfs/dbraw/zinc/53/27/46/881532746.db2.gz QQYDXYDWZXODEN-UHFFFAOYSA-N 1 0 388.515 3.680 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4c(F)cccc4F)C3)CC2)cc1 ZINC000552248285 860407729 /nfs/dbraw/zinc/40/77/29/860407729.db2.gz BCKPAKZCRUKANZ-SFHVURJKSA-N 1 0 382.458 3.674 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484856754 860411779 /nfs/dbraw/zinc/41/17/79/860411779.db2.gz MIWPURYWGLTOHC-ZCNNSNEGSA-N 1 0 389.588 3.918 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000552271242 860413372 /nfs/dbraw/zinc/41/33/72/860413372.db2.gz ZBCZLPILEYMZPX-DFQSSKMNSA-N 1 0 381.476 3.648 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c2ccccc2)cc1OC ZINC000598603653 860431350 /nfs/dbraw/zinc/43/13/50/860431350.db2.gz XYPROZANJWXLRB-WOJBJXKFSA-N 1 0 382.504 3.878 20 30 GHEDRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598585381 860432740 /nfs/dbraw/zinc/43/27/40/860432740.db2.gz BUNYKGUIAIQHQK-CVDCTZTESA-N 1 0 394.515 3.952 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000598588768 860435112 /nfs/dbraw/zinc/43/51/12/860435112.db2.gz LDBUGLPEFRNWBU-GOSISDBHSA-N 1 0 383.458 3.514 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000598594219 860436773 /nfs/dbraw/zinc/43/67/73/860436773.db2.gz ZVULAMUJVBEYCV-CZUORRHYSA-N 1 0 398.288 3.729 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000598609311 860442189 /nfs/dbraw/zinc/44/21/89/860442189.db2.gz GODFAQNVQUYHFL-AYOQOUSVSA-N 1 0 381.923 3.893 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CC[C@H](C)C1 ZINC000484896183 860445046 /nfs/dbraw/zinc/44/50/46/860445046.db2.gz RMSIRGJSYDMCNP-HOTGVXAUSA-N 1 0 389.565 3.964 20 30 GHEDRO Cn1cc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(-c2ccc(C#N)cc2)n1 ZINC000922678115 860466046 /nfs/dbraw/zinc/46/60/46/860466046.db2.gz CCCFHMNCBYJSKQ-IRXDYDNUSA-N 1 0 378.398 3.548 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508997339 860494659 /nfs/dbraw/zinc/49/46/59/860494659.db2.gz JPAFYNXNWSOAAM-SFHVURJKSA-N 1 0 383.515 3.506 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000598699520 860512319 /nfs/dbraw/zinc/51/23/19/860512319.db2.gz FPOIIRMVXDDGTB-GOSISDBHSA-N 1 0 383.458 3.560 20 30 GHEDRO CCC[N@H+](CC(=O)N(C)Cc1ccc(OCC)cc1)Cc1ccc(C#N)cc1 ZINC000061001801 860526331 /nfs/dbraw/zinc/52/63/31/860526331.db2.gz OFGZXHIDEUWTOF-UHFFFAOYSA-N 1 0 379.504 3.828 20 30 GHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000509010167 860538109 /nfs/dbraw/zinc/53/81/09/860538109.db2.gz HBKNDKPYXORKRF-OAQYLSRUSA-N 1 0 393.535 3.595 20 30 GHEDRO COc1cc(OC)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1F ZINC000593619694 860580164 /nfs/dbraw/zinc/58/01/64/860580164.db2.gz LPXGLUVKJNKPHF-UHFFFAOYSA-N 1 0 385.439 3.589 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C)o1 ZINC000125147635 860593923 /nfs/dbraw/zinc/59/39/23/860593923.db2.gz JUQSJPOXVHTVJB-UHFFFAOYSA-N 1 0 375.856 3.590 20 30 GHEDRO CN(c1cc(C#N)c(Br)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000603391546 860683178 /nfs/dbraw/zinc/68/31/78/860683178.db2.gz SKUHWJQFQXPVTA-UHFFFAOYSA-N 1 0 391.235 3.569 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 ZINC000730063659 860842556 /nfs/dbraw/zinc/84/25/56/860842556.db2.gz XNCVCBXDIOMZCZ-UHFFFAOYSA-N 1 0 378.467 3.727 20 30 GHEDRO COc1ccc2nc(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)sc2c1 ZINC000593692761 860858367 /nfs/dbraw/zinc/85/83/67/860858367.db2.gz JNRLIDCYRWVPKE-UHFFFAOYSA-N 1 0 392.528 3.931 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701905 860926101 /nfs/dbraw/zinc/92/61/01/860926101.db2.gz HGQDGRJLPWWQMF-GOSISDBHSA-N 1 0 391.515 3.862 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000603649091 860974735 /nfs/dbraw/zinc/97/47/35/860974735.db2.gz VRVFDCSPVYHEIZ-OAHLLOKOSA-N 1 0 383.521 3.601 20 30 GHEDRO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156932296 861016224 /nfs/dbraw/zinc/01/62/24/861016224.db2.gz UWRPZWKLWBBNDE-CVDCTZTESA-N 1 0 390.531 3.872 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000329111371 861029812 /nfs/dbraw/zinc/02/98/12/861029812.db2.gz GQXILJGMONEIHF-QGZVFWFLSA-N 1 0 377.554 3.821 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(N[C@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)c1 ZINC000593723685 861037552 /nfs/dbraw/zinc/03/75/52/861037552.db2.gz XWCTVYRXGBKITF-QFIPXVFZSA-N 1 0 389.478 3.764 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CCOCC1 ZINC000599299359 861041417 /nfs/dbraw/zinc/04/14/17/861041417.db2.gz DTOWETGNKAUUGQ-XZOQPEGZSA-N 1 0 376.500 3.857 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1OCc1ccccc1 ZINC000599349055 861087151 /nfs/dbraw/zinc/08/71/51/861087151.db2.gz KGQNZWMUPVDGAL-CTNGQTDRSA-N 1 0 394.515 3.988 20 30 GHEDRO C=CCOc1c(Cl)cc(CNc2cccnc2N2CCOCC2)cc1OC ZINC000623471720 861101093 /nfs/dbraw/zinc/10/10/93/861101093.db2.gz OKRKZEJVUUMWJD-UHFFFAOYSA-N 1 0 389.883 3.757 20 30 GHEDRO Cc1cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c(C)n1-c1ccc(C#N)cc1 ZINC000733785592 863163737 /nfs/dbraw/zinc/16/37/37/863163737.db2.gz DDJUIGYGSMHCAE-UHFFFAOYSA-N 1 0 382.427 3.799 20 30 GHEDRO CCCc1c(NC(=O)N[C@H](C)C[NH+](CC)CC)cnn1-c1cccc(C#N)c1 ZINC000439667807 863184398 /nfs/dbraw/zinc/18/43/98/863184398.db2.gz ZJVCNMFQDTZKCR-MRXNPFEDSA-N 1 0 382.512 3.548 20 30 GHEDRO COc1cc(CNc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)ccc1C#N ZINC000281716248 863335363 /nfs/dbraw/zinc/33/53/63/863335363.db2.gz OYWBNTMVTDTLTH-UHFFFAOYSA-N 1 0 378.520 3.957 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCC(C)(C)CC1 ZINC000262384868 863380834 /nfs/dbraw/zinc/38/08/34/863380834.db2.gz LDURUYAHFDIBJR-LMMKCTJWSA-N 1 0 397.629 3.504 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1 ZINC000160195325 863394394 /nfs/dbraw/zinc/39/43/94/863394394.db2.gz JBKAECNFAXIDDM-APWZRJJASA-N 1 0 390.466 3.598 20 30 GHEDRO [NH2+]=C(NCc1ccc2c(c1)OCCCO2)Nc1cccc(OC(F)(F)F)c1 ZINC000262388890 863437983 /nfs/dbraw/zinc/43/79/83/863437983.db2.gz QSXWMDSKLSCBBD-UHFFFAOYSA-N 1 0 381.354 3.673 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281869705 863441664 /nfs/dbraw/zinc/44/16/64/863441664.db2.gz UOAWHWRYPMAESB-FKBYEOEOSA-N 1 0 385.552 3.521 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000593978399 863577215 /nfs/dbraw/zinc/57/72/15/863577215.db2.gz WMIIIDAZHGJZIB-IBGZPJMESA-N 1 0 375.516 3.860 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444163396 863580801 /nfs/dbraw/zinc/58/08/01/863580801.db2.gz CLPUDPCIMWFCBO-MSOLQXFVSA-N 1 0 388.581 3.683 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522866608 863592203 /nfs/dbraw/zinc/59/22/03/863592203.db2.gz OYJCWSIMAIIGPC-JOCHJYFZSA-N 1 0 376.504 3.602 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000593984470 863623626 /nfs/dbraw/zinc/62/36/26/863623626.db2.gz YWYXNGUZLHWDCR-PBEJRMEISA-N 1 0 381.545 3.998 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Br)s1)NCc1nc(C)c(C)s1 ZINC000262409673 863724553 /nfs/dbraw/zinc/72/45/53/863724553.db2.gz PAYIGMWVHPQXAW-UHFFFAOYSA-N 1 0 387.372 3.839 20 30 GHEDRO COc1cc(OC)c(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1Cl ZINC000594033523 863832270 /nfs/dbraw/zinc/83/22/70/863832270.db2.gz RBCRCEQGCRCKIG-UHFFFAOYSA-N 1 0 399.878 3.836 20 30 GHEDRO C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000554187243 863842237 /nfs/dbraw/zinc/84/22/37/863842237.db2.gz HZDFZPLIKRLLQB-SCLBCKFNSA-N 1 0 388.418 3.973 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Br ZINC000480045700 863920443 /nfs/dbraw/zinc/92/04/43/863920443.db2.gz PEKMMVHRRYQUGM-CABCVRRESA-N 1 0 385.309 3.850 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000734164954 864041837 /nfs/dbraw/zinc/04/18/37/864041837.db2.gz PLYZGJRDDKOEQV-UHFFFAOYSA-N 1 0 379.504 3.540 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000734363668 864177514 /nfs/dbraw/zinc/17/75/14/864177514.db2.gz NHDSPDYGLFNAAQ-QGZVFWFLSA-N 1 0 389.503 3.726 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000184316278 864340742 /nfs/dbraw/zinc/34/07/42/864340742.db2.gz JEGNHKSUKBYGBW-QGZVFWFLSA-N 1 0 392.503 3.936 20 30 GHEDRO C=CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccncc1 ZINC000734659504 864375711 /nfs/dbraw/zinc/37/57/11/864375711.db2.gz VYAFRWOFICYLJY-JOCHJYFZSA-N 1 0 378.520 3.971 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000184360286 864385553 /nfs/dbraw/zinc/38/55/53/864385553.db2.gz SQVXTFMWBBNVEZ-DLBZAZTESA-N 1 0 378.476 3.546 20 30 GHEDRO C=CC[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000734663222 864388555 /nfs/dbraw/zinc/38/85/55/864388555.db2.gz ICKHNUZJEXGZRF-QFIPXVFZSA-N 1 0 378.520 3.910 20 30 GHEDRO C=CC[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000734669306 864393505 /nfs/dbraw/zinc/39/35/05/864393505.db2.gz SMRIJEYYDJWEQR-JOCHJYFZSA-N 1 0 394.519 3.673 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734844462 864473017 /nfs/dbraw/zinc/47/30/17/864473017.db2.gz YMZIWFISRVZNLJ-UXHICEINSA-N 1 0 391.437 3.661 20 30 GHEDRO COCCN(C)c1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cn1 ZINC000480337684 864494501 /nfs/dbraw/zinc/49/45/01/864494501.db2.gz PSZSJUWDBALHKJ-UHFFFAOYSA-N 1 0 394.519 3.516 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)o3)C2)c(F)c1 ZINC000480343235 864525898 /nfs/dbraw/zinc/52/58/98/864525898.db2.gz MBCUNVLBNMGVSK-ZDUSSCGKSA-N 1 0 378.245 3.811 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000554558372 864545171 /nfs/dbraw/zinc/54/51/71/864545171.db2.gz RZXZMRPIOYCJKN-NRFANRHFSA-N 1 0 377.488 3.697 20 30 GHEDRO COc1cc2c(cc1OC)CC[NH+](Cc1cc(Cl)ccc1OCC#N)CC2 ZINC000735312024 864736127 /nfs/dbraw/zinc/73/61/27/864736127.db2.gz ZZFGQIOEHGUUNG-UHFFFAOYSA-N 1 0 386.879 3.860 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccccc1CC ZINC000063440170 864767656 /nfs/dbraw/zinc/76/76/56/864767656.db2.gz GTTZGPJFDSPBJY-UHFFFAOYSA-O 1 0 398.552 3.652 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1C ZINC000735491161 864812290 /nfs/dbraw/zinc/81/22/90/864812290.db2.gz AVFHAPCWIKZFJA-XJUOHMSHSA-N 1 0 396.579 3.887 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000735491134 864812452 /nfs/dbraw/zinc/81/24/52/864812452.db2.gz AGOWZLBSTZOVJF-FKEBYFGASA-N 1 0 396.579 3.967 20 30 GHEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262475609 864838997 /nfs/dbraw/zinc/83/89/97/864838997.db2.gz PZKVPIBOIAFHLA-HNNXBMFYSA-N 1 0 385.562 3.585 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000475404017 864945817 /nfs/dbraw/zinc/94/58/17/864945817.db2.gz XSSYNBBJYVXWMS-SFHVURJKSA-N 1 0 399.560 3.958 20 30 GHEDRO CC[C@@](C)(C#N)c1nc(-c2cc3c([nH]c2=O)CC[N@H+](Cc2ccccc2)C3)no1 ZINC000897258142 864989642 /nfs/dbraw/zinc/98/96/42/864989642.db2.gz VKPWCXJWNNFVSC-QFIPXVFZSA-N 1 0 389.459 3.587 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000897267767 865038186 /nfs/dbraw/zinc/03/81/86/865038186.db2.gz PCJZVTKGHDPVEJ-UWJYYQICSA-N 1 0 378.472 3.828 20 30 GHEDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455950651 865054977 /nfs/dbraw/zinc/05/49/77/865054977.db2.gz XZTVFAMNZBDKFI-UHFFFAOYSA-N 1 0 398.532 3.751 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1C#N ZINC000480673773 865069808 /nfs/dbraw/zinc/06/98/08/865069808.db2.gz WQZZVTRUELCGRW-GOSISDBHSA-N 1 0 386.455 3.584 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@H](C(F)(F)F)C1 ZINC000594141809 865134819 /nfs/dbraw/zinc/13/48/19/865134819.db2.gz CUOYDBNFTGFKJY-IAGOWNOFSA-N 1 0 393.453 3.962 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000554928500 865187976 /nfs/dbraw/zinc/18/79/76/865187976.db2.gz PETMOTXZLZCAMZ-FPOVZHCZSA-N 1 0 381.568 3.806 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173964752 865260714 /nfs/dbraw/zinc/26/07/14/865260714.db2.gz YSNYLMBLELINMP-IAGOWNOFSA-N 1 0 380.448 3.889 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(C(F)(F)F)c1 ZINC000554969438 865270730 /nfs/dbraw/zinc/27/07/30/865270730.db2.gz LODJOSFCMCZJIF-UHFFFAOYSA-N 1 0 387.405 3.989 20 30 GHEDRO CC(C)[N@H+](CC(=O)NCCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063750512 865303573 /nfs/dbraw/zinc/30/35/73/865303573.db2.gz QMIBOHBIEMSMJZ-UHFFFAOYSA-N 1 0 385.895 3.617 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(Cc3ccc(F)cc3F)C1=O)CC2 ZINC000555002417 865316775 /nfs/dbraw/zinc/31/67/75/865316775.db2.gz AFJNRIJYGANQAF-RTWAWAEBSA-N 1 0 381.426 3.605 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccsc1 ZINC000480813969 865328110 /nfs/dbraw/zinc/32/81/10/865328110.db2.gz VMSRHKVGSRJXRB-LJQANCHMSA-N 1 0 385.533 3.976 20 30 GHEDRO C=CC[NH+]1CCC(Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000301410840 865345042 /nfs/dbraw/zinc/34/50/42/865345042.db2.gz YDKRBUZFLIOIEY-UHFFFAOYSA-N 1 0 379.291 3.602 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3sc(C(=O)OCC)cc3c2)CC1 ZINC000171738172 865350168 /nfs/dbraw/zinc/35/01/68/865350168.db2.gz NSYRVVICEFXOMN-UHFFFAOYSA-N 1 0 387.505 3.850 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000172139908 865500971 /nfs/dbraw/zinc/50/09/71/865500971.db2.gz DQJBAYWQHXGIFM-UHFFFAOYSA-N 1 0 375.472 3.517 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CCC2)cc1 ZINC000594240124 865524257 /nfs/dbraw/zinc/52/42/57/865524257.db2.gz OFQZNMPXRNOFOT-OAQYLSRUSA-N 1 0 388.515 3.759 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC000608672505 865576316 /nfs/dbraw/zinc/57/63/16/865576316.db2.gz JPVVRBCHSBXLHG-UHFFFAOYSA-N 1 0 385.508 3.520 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C2CC[NH+](C(C)C)CC2)c1C#N ZINC000608779723 865687137 /nfs/dbraw/zinc/68/71/37/865687137.db2.gz MEXWRAJYVKDCAB-UHFFFAOYSA-N 1 0 399.583 3.835 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594286980 865713561 /nfs/dbraw/zinc/71/35/61/865713561.db2.gz KWZKKXJOADDCEH-XXBNENTESA-N 1 0 390.531 3.645 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1=S ZINC000739874103 865805873 /nfs/dbraw/zinc/80/58/73/865805873.db2.gz AUCNLPAQBGPALM-IBGZPJMESA-N 1 0 397.592 3.951 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000739841875 865816081 /nfs/dbraw/zinc/81/60/81/865816081.db2.gz YVNQPJMRNVCGMS-NRFANRHFSA-N 1 0 375.451 3.929 20 30 GHEDRO Cn1ccc2c1cccc2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000608893198 865821088 /nfs/dbraw/zinc/82/10/88/865821088.db2.gz OUXPIRDXMHBACE-UHFFFAOYSA-N 1 0 375.476 3.646 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)s1 ZINC000740060833 865838600 /nfs/dbraw/zinc/83/86/00/865838600.db2.gz YFRBRKSVHHMTBW-ROUUACIJSA-N 1 0 380.517 3.713 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1)C(C)C ZINC000740236029 865864404 /nfs/dbraw/zinc/86/44/04/865864404.db2.gz LDRVWMXLLRQPDK-OAQYLSRUSA-N 1 0 394.471 3.860 20 30 GHEDRO COC(=O)COc1ccc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000481142811 865878836 /nfs/dbraw/zinc/87/88/36/865878836.db2.gz MTXFLEOARFRRSQ-UHFFFAOYSA-N 1 0 391.389 3.741 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)CC1 ZINC000740735950 865974977 /nfs/dbraw/zinc/97/49/77/865974977.db2.gz WTOBXZVRVIHYAJ-UHFFFAOYSA-N 1 0 389.858 3.660 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccnc2SCc2ccc(F)cc2)CC1 ZINC000740738541 865976041 /nfs/dbraw/zinc/97/60/41/865976041.db2.gz GDRNGMMDRZFISD-UHFFFAOYSA-N 1 0 397.519 3.731 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000555355517 865981982 /nfs/dbraw/zinc/98/19/82/865981982.db2.gz PPZRENCHCWMUOJ-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC001126597153 865991888 /nfs/dbraw/zinc/99/18/88/865991888.db2.gz KYQVXYSCRLSRDJ-WAEYIKQSSA-N 1 0 384.520 3.654 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000740865138 866053491 /nfs/dbraw/zinc/05/34/91/866053491.db2.gz OHEOOTVSCXKNRN-FQEVSTJZSA-N 1 0 385.515 3.976 20 30 GHEDRO N#Cc1nnc2ccccc2c1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000740868824 866056445 /nfs/dbraw/zinc/05/64/45/866056445.db2.gz QSISTWPHLWZVFR-MRXNPFEDSA-N 1 0 393.878 3.937 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1OC ZINC000534095369 866125157 /nfs/dbraw/zinc/12/51/57/866125157.db2.gz ZWGLMWCSMWXQFK-RDJZCZTQSA-N 1 0 382.298 3.680 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)/C=C/c2cc3ccccc3nc2OCCC)CC1 ZINC000303406040 866183675 /nfs/dbraw/zinc/18/36/75/866183675.db2.gz QBIPNOVMNHGMSX-MDZDMXLPSA-N 1 0 379.504 3.803 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000534170241 866253383 /nfs/dbraw/zinc/25/33/83/866253383.db2.gz VGIYEHGAQWPFMN-INIZCTEOSA-N 1 0 376.460 3.927 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508494809 866382621 /nfs/dbraw/zinc/38/26/21/866382621.db2.gz RFEURCAFFOLDIU-UHFFFAOYSA-N 1 0 390.535 3.687 20 30 GHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508497446 866456718 /nfs/dbraw/zinc/45/67/18/866456718.db2.gz LHSRBTICJFEZFY-HXUWFJFHSA-N 1 0 383.540 3.695 20 30 GHEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508497302 866473789 /nfs/dbraw/zinc/47/37/89/866473789.db2.gz KSCQUFSAACMWKC-UHFFFAOYSA-N 1 0 387.531 3.740 20 30 GHEDRO COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])N2CCCCCC2)cn1 ZINC000305067464 866542280 /nfs/dbraw/zinc/54/22/80/866542280.db2.gz NLUMRAJFQDOBRB-UHFFFAOYSA-N 1 0 384.480 3.582 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000741520268 866569363 /nfs/dbraw/zinc/56/93/63/866569363.db2.gz AYJXGAAKQDFVMV-OAQYLSRUSA-N 1 0 382.891 3.919 20 30 GHEDRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000534427733 866742963 /nfs/dbraw/zinc/74/29/63/866742963.db2.gz UEEOWSPHXRZUIC-KRWDZBQOSA-N 1 0 383.923 3.981 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000553099920 866794469 /nfs/dbraw/zinc/79/44/69/866794469.db2.gz GZTUSRLJLNOVOV-JOCHJYFZSA-N 1 0 388.515 3.995 20 30 GHEDRO C=C(C)[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000478918415 866877647 /nfs/dbraw/zinc/87/76/47/866877647.db2.gz VSXIJIBUWOPLPF-QFIPXVFZSA-N 1 0 399.485 3.759 20 30 GHEDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000793269683 882061512 /nfs/dbraw/zinc/06/15/12/882061512.db2.gz OKUMIWBBKPOWHU-MRXNPFEDSA-N 1 0 397.523 3.694 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1C#N ZINC000742371384 867265352 /nfs/dbraw/zinc/26/53/52/867265352.db2.gz UJPLIAOECKTFSL-OAHLLOKOSA-N 1 0 383.467 3.518 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523470080 867352810 /nfs/dbraw/zinc/35/28/10/867352810.db2.gz RHIVFMVVUSNRCA-NZQKXSOJSA-N 1 0 375.516 3.733 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523470082 867353013 /nfs/dbraw/zinc/35/30/13/867353013.db2.gz RHIVFMVVUSNRCA-REWPJTCUSA-N 1 0 375.516 3.733 20 30 GHEDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2)C1 ZINC000857166908 882074868 /nfs/dbraw/zinc/07/48/68/882074868.db2.gz OGQRBIXFSGFECJ-PKTZIBPZSA-N 1 0 389.499 3.581 20 30 GHEDRO C[C@H](Oc1ccccc1Cl)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479276559 867464610 /nfs/dbraw/zinc/46/46/10/867464610.db2.gz GLEVWNZFMPRXBY-KRWDZBQOSA-N 1 0 397.906 3.782 20 30 GHEDRO Cc1nc(CC(C)C)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479282155 867476840 /nfs/dbraw/zinc/47/68/40/867476840.db2.gz PYUUNHYYVWWSOI-UHFFFAOYSA-N 1 0 396.560 3.938 20 30 GHEDRO C=CCn1c(COc2ccccc2F)nnc1SCC[C@H]1CCC[N@H+]1C ZINC000153908940 867530030 /nfs/dbraw/zinc/53/00/30/867530030.db2.gz JAWKVMPKPKZVLQ-OAHLLOKOSA-N 1 0 376.501 3.759 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000440622445 867560635 /nfs/dbraw/zinc/56/06/35/867560635.db2.gz HVIKDJUCNHQAMV-UNMCSNQZSA-N 1 0 375.476 3.625 20 30 GHEDRO C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)[N@H+](C)Cc1ccccc1 ZINC000523632839 867646980 /nfs/dbraw/zinc/64/69/80/867646980.db2.gz LUARNXOKBZTZEO-CQSZACIVSA-N 1 0 388.418 3.802 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)C(N)=O)cc1 ZINC000523735741 867873570 /nfs/dbraw/zinc/87/35/70/867873570.db2.gz YMIGWRKGMMBJKO-NUIDASMPSA-N 1 0 393.490 3.972 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000743146115 867897078 /nfs/dbraw/zinc/89/70/78/867897078.db2.gz COLXFCMOAGZGBG-LJQANCHMSA-N 1 0 377.488 3.827 20 30 GHEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000763635051 867898142 /nfs/dbraw/zinc/89/81/42/867898142.db2.gz FCLOCRXTYVSLQK-AVRDEDQJSA-N 1 0 383.536 3.749 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)c1 ZINC000523749113 867918077 /nfs/dbraw/zinc/91/80/77/867918077.db2.gz MFMMTHOXEGJFNQ-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2csc(-c3ccc(OCCC)cc3)n2)CC1 ZINC000743491648 868237281 /nfs/dbraw/zinc/23/72/81/868237281.db2.gz JUELEEJBEMFQSQ-UHFFFAOYSA-N 1 0 397.544 3.816 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c(OC)c1 ZINC000620934196 868246200 /nfs/dbraw/zinc/24/62/00/868246200.db2.gz MJWVEOOCJMYNGL-LEWJYISDSA-N 1 0 383.488 3.706 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000156126906 868261489 /nfs/dbraw/zinc/26/14/89/868261489.db2.gz DYKVJWIAJAHABO-HXUWFJFHSA-N 1 0 397.437 3.987 20 30 GHEDRO N#CCSc1ccccc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000743989460 868518082 /nfs/dbraw/zinc/51/80/82/868518082.db2.gz RCDCQQUFQPFEQU-UHFFFAOYSA-N 1 0 391.540 3.965 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000524103964 868532629 /nfs/dbraw/zinc/53/26/29/868532629.db2.gz HWFRAVUXHCEHGJ-ZWKOTPCHSA-N 1 0 395.503 3.625 20 30 GHEDRO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000666045323 882205655 /nfs/dbraw/zinc/20/56/55/882205655.db2.gz HGRYKKIJFKGITJ-UHFFFAOYSA-N 1 0 388.515 3.725 20 30 GHEDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000091918619 882213770 /nfs/dbraw/zinc/21/37/70/882213770.db2.gz JBCLFXRZBNAEBR-QGZVFWFLSA-N 1 0 393.487 3.837 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H]1OC ZINC000479891102 868689160 /nfs/dbraw/zinc/68/91/60/868689160.db2.gz YUMIYSBLCCVWPD-PWIZWCRZSA-N 1 0 387.524 3.514 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(C#N)ccc1Cl ZINC000508535889 868709889 /nfs/dbraw/zinc/70/98/89/868709889.db2.gz WHPKUULGDVTHPS-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO C[C@@](O)(C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000535541326 868941802 /nfs/dbraw/zinc/94/18/02/868941802.db2.gz CQIAHFKGDPSWNR-GHMZBOCLSA-N 1 0 399.253 3.962 20 30 GHEDRO CC(=O)c1ccc(Oc2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2)cc1 ZINC000535575540 869029202 /nfs/dbraw/zinc/02/92/02/869029202.db2.gz QUOHUUFRXNMFNL-UHFFFAOYSA-N 1 0 393.487 3.989 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000524435423 869054482 /nfs/dbraw/zinc/05/44/82/869054482.db2.gz SYYBJKMHCJVUEB-MRXNPFEDSA-N 1 0 386.402 3.556 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+]C2(CCO)CCCCC2)sc2c1CCCCC2 ZINC000440901716 869171963 /nfs/dbraw/zinc/17/19/63/869171963.db2.gz YWLBNBDBBKCKEH-UHFFFAOYSA-N 1 0 375.538 3.502 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000539495494 869218509 /nfs/dbraw/zinc/21/85/09/869218509.db2.gz UIUFGQJHSZRQCN-PBHICJAKSA-N 1 0 378.394 3.959 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539492417 869231097 /nfs/dbraw/zinc/23/10/97/869231097.db2.gz TZKPMHUQDGGHBC-GBXCKJPGSA-N 1 0 395.499 3.667 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000524549824 869241406 /nfs/dbraw/zinc/24/14/06/869241406.db2.gz RBENECXUCQXNFD-FQEVSTJZSA-N 1 0 377.488 3.597 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1C ZINC000524617883 869350512 /nfs/dbraw/zinc/35/05/12/869350512.db2.gz JIVYSRCCQKPGDJ-WMZOPIPTSA-N 1 0 381.476 3.675 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000462385832 869355562 /nfs/dbraw/zinc/35/55/62/869355562.db2.gz YNLOEKJCZDVWPG-UHFFFAOYSA-N 1 0 386.499 3.861 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000609100504 869552555 /nfs/dbraw/zinc/55/25/55/869552555.db2.gz TXZZTLXKBISNDE-PKTZIBPZSA-N 1 0 390.531 3.509 20 30 GHEDRO CC(C)c1nc(C#N)c(N=NCc2c(Cl)cccc2N2CC[NH+](C)CC2)o1 ZINC000745613971 869701389 /nfs/dbraw/zinc/70/13/89/869701389.db2.gz UDPUYEFQHUCNNY-UHFFFAOYSA-N 1 0 386.887 3.521 20 30 GHEDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539822307 869853470 /nfs/dbraw/zinc/85/34/70/869853470.db2.gz XQVVERVTGKBTIV-FQEVSTJZSA-N 1 0 396.512 3.618 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508861211 869950377 /nfs/dbraw/zinc/95/03/77/869950377.db2.gz BWASIBRLDZENTD-QGZVFWFLSA-N 1 0 399.514 3.808 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000525143018 870041857 /nfs/dbraw/zinc/04/18/57/870041857.db2.gz CLZABDRBRRTCQL-HXUWFJFHSA-N 1 0 379.529 3.728 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1 ZINC000746264687 870152944 /nfs/dbraw/zinc/15/29/44/870152944.db2.gz IHNROPILDILOPO-OAQYLSRUSA-N 1 0 386.455 3.858 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C)C2)cc1 ZINC001192261903 870245598 /nfs/dbraw/zinc/24/55/98/870245598.db2.gz LUWFNRURIPPYPU-HZPDHXFCSA-N 1 0 394.519 3.891 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)cc1 ZINC001192347312 870306464 /nfs/dbraw/zinc/30/64/64/870306464.db2.gz FNBKYWPXNMIWOA-QHCPKHFHSA-N 1 0 375.516 3.909 20 30 GHEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000525328748 870367710 /nfs/dbraw/zinc/36/77/10/870367710.db2.gz LLKGZDLZRBYVTD-JXFKEZNVSA-N 1 0 388.556 3.852 20 30 GHEDRO C=CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732175 870464599 /nfs/dbraw/zinc/46/45/99/870464599.db2.gz QCMKTSNEFTWAMQ-JEZWAEDTSA-N 1 0 390.447 3.833 20 30 GHEDRO C=CCn1c(CCCC)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508866480 870471294 /nfs/dbraw/zinc/47/12/94/870471294.db2.gz LAHYIYODVLNLIK-RTBURBONSA-N 1 0 389.588 3.522 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)s1 ZINC000092673808 882410795 /nfs/dbraw/zinc/41/07/95/882410795.db2.gz DVZDGZUCTJCFFH-OAHLLOKOSA-N 1 0 383.517 3.742 20 30 GHEDRO N#Cc1cc(S(=O)(=O)Nc2cccc(CC[NH+]3CCCC3)c2)ccc1Cl ZINC000538753651 870571703 /nfs/dbraw/zinc/57/17/03/870571703.db2.gz ZKLQMRCKFHLDGI-UHFFFAOYSA-N 1 0 389.908 3.651 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000181262897 870574864 /nfs/dbraw/zinc/57/48/64/870574864.db2.gz KNMZRIVFVJLSHB-UHFFFAOYSA-N 1 0 379.291 3.787 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1cccc(OCC#N)c1 ZINC000766358918 870637928 /nfs/dbraw/zinc/63/79/28/870637928.db2.gz HOXOKHAHXRIPQS-QZTJIDSGSA-N 1 0 378.476 3.716 20 30 GHEDRO C=CCn1c2ccccc2n(CN2CC[N@H+](CCOC)[C@H](CCC)C2)c1=S ZINC000766383334 870669890 /nfs/dbraw/zinc/66/98/90/870669890.db2.gz YHHMISDDAPIEFZ-GOSISDBHSA-N 1 0 388.581 3.748 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000525422715 870688541 /nfs/dbraw/zinc/68/85/41/870688541.db2.gz KRANEYFUPZJDSR-SFHVURJKSA-N 1 0 380.444 3.554 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168816093 870833932 /nfs/dbraw/zinc/83/39/32/870833932.db2.gz MWPAOMWGAZWFSY-JTQLQIEISA-N 1 0 376.222 3.554 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-n2cnc(C)c2CSCC[NH3+])cc1 ZINC001168798225 870843781 /nfs/dbraw/zinc/84/37/81/870843781.db2.gz YBLJCHPWCGGFMF-OGYQGKGRSA-N 1 0 392.594 3.644 20 30 GHEDRO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428804946 870876876 /nfs/dbraw/zinc/87/68/76/870876876.db2.gz MFSHDMGPPRNDLE-INIZCTEOSA-N 1 0 391.427 3.529 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1OC ZINC000115417263 882457173 /nfs/dbraw/zinc/45/71/73/882457173.db2.gz UMLZINUPLZRQCW-DHZHZOJOSA-N 1 0 398.478 3.790 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)c(C)c2)CC1 ZINC000461793696 870968285 /nfs/dbraw/zinc/96/82/85/870968285.db2.gz DGGXLBSCINNNKB-SFHVURJKSA-N 1 0 376.504 3.751 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccc(O)c(O)c2Cl)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001193247115 870973367 /nfs/dbraw/zinc/97/33/67/870973367.db2.gz LGWJMGGNJPPVRI-WKILWMFISA-N 1 0 399.878 3.535 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000540354245 871049056 /nfs/dbraw/zinc/04/90/56/871049056.db2.gz LAVRBRXSDBZQMC-QGZVFWFLSA-N 1 0 387.524 3.819 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1Br ZINC000540368926 871091369 /nfs/dbraw/zinc/09/13/69/871091369.db2.gz BAVBAPFZNMJCDC-ZJNRKIDTSA-N 1 0 396.329 3.551 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC=C3C(=O)CC4(CCCCC4)CC3=O)cc2)CC1 ZINC000920979883 882498021 /nfs/dbraw/zinc/49/80/21/882498021.db2.gz YKCOJGSLHUXHSE-UHFFFAOYSA-N 1 0 381.520 3.617 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@H]3CCC[C@@H](C#N)C3)c2)cc1 ZINC000463293604 871351193 /nfs/dbraw/zinc/35/11/93/871351193.db2.gz LCBGENAHUNNQJD-MJGOQNOKSA-N 1 0 393.487 3.998 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169300745 871395059 /nfs/dbraw/zinc/39/50/59/871395059.db2.gz ORQIEADMXNVCKN-AELPEBTASA-N 1 0 399.531 3.981 20 30 GHEDRO N#Cc1c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc2ccccn21 ZINC000181723923 871429712 /nfs/dbraw/zinc/42/97/12/871429712.db2.gz LEGDBAIMLMXZKW-UHFFFAOYSA-N 1 0 389.503 3.689 20 30 GHEDRO N#CCOc1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000069724646 871441219 /nfs/dbraw/zinc/44/12/19/871441219.db2.gz XZCOFMQMKKANCY-UHFFFAOYSA-N 1 0 384.524 3.577 20 30 GHEDRO CCc1ccc([C@@H]2CCC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)cc1 ZINC001194116664 871486541 /nfs/dbraw/zinc/48/65/41/871486541.db2.gz UBKRFAJGLWEBKG-OAQYLSRUSA-N 1 0 386.495 3.728 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H](CC)Cc1ccc3c(c1)OCO3)C2 ZINC001170441720 882521644 /nfs/dbraw/zinc/52/16/44/882521644.db2.gz JZEFELQNKOWRAS-WWPVKYPJSA-N 1 0 387.520 3.810 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4c(F)cccc4F)C3)CC2)cc1 ZINC000181880047 871576237 /nfs/dbraw/zinc/57/62/37/871576237.db2.gz VZLUALUEMRHOKO-HXUWFJFHSA-N 1 0 396.485 3.669 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4c(F)cccc4F)C3)CC2)cc1 ZINC000181880027 871576660 /nfs/dbraw/zinc/57/66/60/871576660.db2.gz VZLUALUEMRHOKO-FQEVSTJZSA-N 1 0 396.485 3.669 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CC(C)(C)Cc2ccc(Cl)cc2)c1C#N ZINC000525872280 871646466 /nfs/dbraw/zinc/64/64/66/871646466.db2.gz FDIAOWTVYCGBQM-UHFFFAOYSA-N 1 0 387.915 3.684 20 30 GHEDRO CCn1c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)nc2ccccc21 ZINC000525873114 871648739 /nfs/dbraw/zinc/64/87/39/871648739.db2.gz UWAGCQLWGXHXNR-UHFFFAOYSA-N 1 0 375.476 3.803 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC001194444450 871723606 /nfs/dbraw/zinc/72/36/06/871723606.db2.gz BOCXWMXBJHYXHU-SESVDKBCSA-N 1 0 383.536 3.876 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000776967827 882542295 /nfs/dbraw/zinc/54/22/95/882542295.db2.gz HBVFZISWSICLQM-UHFFFAOYSA-N 1 0 381.907 3.729 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000463453920 871789288 /nfs/dbraw/zinc/78/92/88/871789288.db2.gz WKHHYDXMTIBIHD-NRFANRHFSA-N 1 0 388.471 3.789 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1-n1cc(CC[NH3+])c2ncccc21 ZINC001169710312 871795225 /nfs/dbraw/zinc/79/52/25/871795225.db2.gz KCTRBATUVBKVJS-UHFFFAOYSA-N 1 0 392.260 3.709 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+]([C@@H]3CCCN(C(=O)c4ccccc4)C3)C2)c1 ZINC001169784655 871877446 /nfs/dbraw/zinc/87/74/46/871877446.db2.gz NOXJJRGDWDIKGY-GGAORHGYSA-N 1 0 389.499 3.706 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022687542 871908686 /nfs/dbraw/zinc/90/86/86/871908686.db2.gz NMIDCWCFAHRSRB-UHFFFAOYSA-O 1 0 384.569 3.941 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc(C#N)cc1 ZINC000447578898 871923855 /nfs/dbraw/zinc/92/38/55/871923855.db2.gz IAULQGYGDJYCOT-QFIPXVFZSA-N 1 0 397.544 3.725 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000921075365 882562689 /nfs/dbraw/zinc/56/26/89/882562689.db2.gz MYCLCHIPKNOVMC-HNNXBMFYSA-N 1 0 380.330 3.769 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3ncccc3C(F)(F)F)CC2)cc1 ZINC000552062808 871961121 /nfs/dbraw/zinc/96/11/21/871961121.db2.gz HAZBLMGENWRXMJ-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2)CC1 ZINC000618783492 871980753 /nfs/dbraw/zinc/98/07/53/871980753.db2.gz GHHFPBNLELSWKY-HSZRJFAPSA-N 1 0 388.515 3.506 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000618843457 872055147 /nfs/dbraw/zinc/05/51/47/872055147.db2.gz XJFBVPBWLHNUIG-UGKGYDQZSA-N 1 0 380.536 3.843 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NCC(F)(F)F)cc1 ZINC000101535025 872070536 /nfs/dbraw/zinc/07/05/36/872070536.db2.gz UUYOIWUBFNFLDT-UHFFFAOYSA-O 1 0 384.447 3.572 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618853494 872076090 /nfs/dbraw/zinc/07/60/90/872076090.db2.gz KTTBDXSPIQHTDR-WZONZLPQSA-N 1 0 388.515 3.852 20 30 GHEDRO COc1ccc(C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000526135940 872165128 /nfs/dbraw/zinc/16/51/28/872165128.db2.gz XJCXINPOQDHGFF-HKUYNNGSSA-N 1 0 399.535 3.647 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCCn3c(=O)[nH]c4ccccc43)CC2)c(F)c1 ZINC000552190127 872215328 /nfs/dbraw/zinc/21/53/28/872215328.db2.gz CWCMHOKQXRETFO-UHFFFAOYSA-N 1 0 394.450 3.686 20 30 GHEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2)cn1 ZINC000101900418 872354778 /nfs/dbraw/zinc/35/47/78/872354778.db2.gz WCYSURDSKJQREB-UHFFFAOYSA-O 1 0 387.435 3.520 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803439 872400064 /nfs/dbraw/zinc/40/00/64/872400064.db2.gz FQAZBUPYXQBEJM-LJQANCHMSA-N 1 0 398.510 3.856 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC001195462792 872406614 /nfs/dbraw/zinc/40/66/14/872406614.db2.gz CJZMCFITHDQJJM-RTBURBONSA-N 1 0 378.516 3.931 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccn(CCC#N)n2)CCCC1)c1ccccc1 ZINC000173374530 882614417 /nfs/dbraw/zinc/61/44/17/882614417.db2.gz RUPCPAUIHQCDRE-KRWDZBQOSA-N 1 0 380.496 3.582 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000619512041 872696389 /nfs/dbraw/zinc/69/63/89/872696389.db2.gz XMLXXLCNPIRAMM-QGZVFWFLSA-N 1 0 385.467 3.938 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000619512014 872696689 /nfs/dbraw/zinc/69/66/89/872696689.db2.gz IUISLBMNTZZGHA-UHFFFAOYSA-N 1 0 385.467 3.685 20 30 GHEDRO CN(CCC[NH+]1CCC(Cc2ccccc2)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876850 872731625 /nfs/dbraw/zinc/73/16/25/872731625.db2.gz OIKHWSHSQVEQJH-RUZDIDTESA-N 1 0 391.559 3.868 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)c1ccccc1 ZINC001196019973 872819282 /nfs/dbraw/zinc/81/92/82/872819282.db2.gz HLGGYSDCNSLAAW-LJQANCHMSA-N 1 0 391.562 3.512 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541087538 872896292 /nfs/dbraw/zinc/89/62/92/872896292.db2.gz VAEJUUPHNFAUJC-HYFFOGBASA-N 1 0 377.488 3.560 20 30 GHEDRO N#CC1(CCCC[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CCC1 ZINC001196113156 872901815 /nfs/dbraw/zinc/90/18/15/872901815.db2.gz BCCBCPXJOGMMMP-IBGZPJMESA-N 1 0 375.538 3.757 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001196159194 872919493 /nfs/dbraw/zinc/91/94/93/872919493.db2.gz MVLOQSBHONRMMM-PGRDOPGGSA-N 1 0 384.545 3.635 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000767876448 872930684 /nfs/dbraw/zinc/93/06/84/872930684.db2.gz PGCOZLFPQCEIQF-SFHVURJKSA-N 1 0 387.405 3.683 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877473 872932163 /nfs/dbraw/zinc/93/21/63/872932163.db2.gz PNLHNTMZMCYDMK-IDHHARJASA-N 1 0 381.442 3.938 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619755354 872965824 /nfs/dbraw/zinc/96/58/24/872965824.db2.gz FJKNJJGJWDQLLL-CYBMUJFWSA-N 1 0 387.867 3.736 20 30 GHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619828548 873059854 /nfs/dbraw/zinc/05/98/54/873059854.db2.gz UOJDHTSEJABOHO-UHFFFAOYSA-N 1 0 376.913 3.547 20 30 GHEDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000768336430 873242106 /nfs/dbraw/zinc/24/21/06/873242106.db2.gz DHCFPYHEFPALCV-OAQYLSRUSA-N 1 0 393.487 3.848 20 30 GHEDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000768342991 873245196 /nfs/dbraw/zinc/24/51/96/873245196.db2.gz WDZOLXXHNFAJTK-NRFANRHFSA-N 1 0 393.487 3.848 20 30 GHEDRO CN(c1ccccc1C=[NH+][N-]c1cc(C#N)cc(Cl)n1)C1CC[NH+](C)CC1 ZINC000768373257 873265703 /nfs/dbraw/zinc/26/57/03/873265703.db2.gz COVUEFKGVGKBRE-UHFFFAOYSA-N 1 0 382.899 3.583 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC001196715147 873317207 /nfs/dbraw/zinc/31/72/07/873317207.db2.gz ZWIDQYALCLFSSG-FQEVSTJZSA-N 1 0 392.503 3.568 20 30 GHEDRO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)o1 ZINC000527588796 873328160 /nfs/dbraw/zinc/32/81/60/873328160.db2.gz TXVALEUBLQYOAW-UHFFFAOYSA-N 1 0 377.488 3.846 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000768501120 873339666 /nfs/dbraw/zinc/33/96/66/873339666.db2.gz UCGKPKYGFRBSJH-PMACEKPBSA-N 1 0 397.592 3.949 20 30 GHEDRO Cc1cc(C)c(C#N)c(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768528432 873362494 /nfs/dbraw/zinc/36/24/94/873362494.db2.gz QAAMXOKKIDNITH-UHFFFAOYSA-N 1 0 375.520 3.714 20 30 GHEDRO C[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000464182837 873366227 /nfs/dbraw/zinc/36/62/27/873366227.db2.gz GCFUOPDQZAKMBU-GOSISDBHSA-N 1 0 377.488 3.799 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000541380808 873481872 /nfs/dbraw/zinc/48/18/72/873481872.db2.gz SCVHKXSUJMEKCJ-RBBKRZOGSA-N 1 0 384.524 3.577 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc1OCCCC#N ZINC000527732669 873508702 /nfs/dbraw/zinc/50/87/02/873508702.db2.gz APHQQOGOPKCPCL-QFIPXVFZSA-N 1 0 382.460 3.697 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000768753047 873555693 /nfs/dbraw/zinc/55/56/93/873555693.db2.gz KLWPXGFTWREWGD-LJQANCHMSA-N 1 0 376.504 3.905 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC001197032753 873557171 /nfs/dbraw/zinc/55/71/71/873557171.db2.gz SGHYIIUCCFFQRL-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1(c3ccc(C#N)cc3)CCOCC1)O[C@@H](C)C2 ZINC000527809711 873594504 /nfs/dbraw/zinc/59/45/04/873594504.db2.gz FJAVJJHSRLLQHU-INIZCTEOSA-N 1 0 378.472 3.686 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)o1 ZINC000464329081 873622817 /nfs/dbraw/zinc/62/28/17/873622817.db2.gz NBYBUSJWHLECSF-IBGZPJMESA-N 1 0 393.487 3.725 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000448591917 873635962 /nfs/dbraw/zinc/63/59/62/873635962.db2.gz KIPPXKGFSQIJCM-UHFFFAOYSA-N 1 0 393.531 3.883 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000769022083 873746601 /nfs/dbraw/zinc/74/66/01/873746601.db2.gz QJYFEHWDCMQYGC-UHFFFAOYSA-N 1 0 379.485 3.518 20 30 GHEDRO CCOC(=O)c1sc([C@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)nc1C ZINC001197402986 873771531 /nfs/dbraw/zinc/77/15/31/873771531.db2.gz LLZHNZXBICATOS-KRWDZBQOSA-N 1 0 399.516 3.758 20 30 GHEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508875355 873804636 /nfs/dbraw/zinc/80/46/36/873804636.db2.gz UUNCNHNFNLFDIO-UHFFFAOYSA-N 1 0 378.307 3.722 20 30 GHEDRO C/C=C/COc1cccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000448724965 873820972 /nfs/dbraw/zinc/82/09/72/873820972.db2.gz JAGUIVXCPBNGIZ-SNAWJCMRSA-N 1 0 391.515 3.646 20 30 GHEDRO C[Si](C)(C)C#Cc1cccc(NC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC001197617903 873916743 /nfs/dbraw/zinc/91/67/43/873916743.db2.gz QTKSGMDKTYIVJL-JOCHJYFZSA-N 1 0 392.575 3.734 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=S)Nc2cccc(C#N)c2)CC1 ZINC001197709111 873995329 /nfs/dbraw/zinc/99/53/29/873995329.db2.gz QEQBSUCOQAMCQT-UHFFFAOYSA-N 1 0 382.508 3.991 20 30 GHEDRO COc1ccccc1C[NH+]1CCC(NC(=S)Nc2cccc(C#N)c2)CC1 ZINC001197723970 874008406 /nfs/dbraw/zinc/00/84/06/874008406.db2.gz PUOOMSRKXDTBGW-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448822217 874018220 /nfs/dbraw/zinc/01/82/20/874018220.db2.gz JYQSMOBUJHPAQP-FMKPAKJESA-N 1 0 390.325 3.798 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)Cc1ccc(C#N)nc1)C1CCCCC1 ZINC000528134930 874050103 /nfs/dbraw/zinc/05/01/03/874050103.db2.gz YCHLGQYMEPVTOJ-UHFFFAOYSA-N 1 0 376.504 3.577 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)nc2)cc1 ZINC001198019033 874165929 /nfs/dbraw/zinc/16/59/29/874165929.db2.gz UKKUQNBWWXFHLQ-UHFFFAOYSA-N 1 0 393.535 3.519 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)CCC1 ZINC001198034413 874191158 /nfs/dbraw/zinc/19/11/58/874191158.db2.gz WNQUYEIWRMRIMB-FQEVSTJZSA-N 1 0 375.472 3.801 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(OC)c3)cn2)CC1 ZINC000448920962 874210082 /nfs/dbraw/zinc/21/00/82/874210082.db2.gz JYEYGVYMAZMUOS-UHFFFAOYSA-N 1 0 381.476 3.653 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Oc3ccccc3OC)cn2)CC1 ZINC000448921828 874210993 /nfs/dbraw/zinc/21/09/93/874210993.db2.gz OSMPGLSNWUAFSB-UHFFFAOYSA-N 1 0 381.476 3.653 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)C(C)C ZINC001198155062 874250858 /nfs/dbraw/zinc/25/08/58/874250858.db2.gz WBCMBQOPJPQYPB-FQEVSTJZSA-N 1 0 385.556 3.892 20 30 GHEDRO C=CCC1(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCCCC1 ZINC000448935474 874258859 /nfs/dbraw/zinc/25/88/59/874258859.db2.gz IMWPNTIESGCUIB-NRFANRHFSA-N 1 0 397.563 3.527 20 30 GHEDRO C=CCC1(C(=O)N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)CCCCC1 ZINC000448977142 874279354 /nfs/dbraw/zinc/27/93/54/874279354.db2.gz XIGPGCZYYHUFBN-UHFFFAOYSA-N 1 0 391.600 3.600 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001198260777 874292296 /nfs/dbraw/zinc/29/22/96/874292296.db2.gz OYROZMDVPJGBAI-CHWSQXEVSA-N 1 0 381.501 3.721 20 30 GHEDRO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464776581 874473208 /nfs/dbraw/zinc/47/32/08/874473208.db2.gz UGXFONVYRNFXII-QFIPXVFZSA-N 1 0 381.495 3.903 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464778524 874475933 /nfs/dbraw/zinc/47/59/33/874475933.db2.gz QPFJMYYWILRIEA-INIZCTEOSA-N 1 0 388.581 3.633 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2CCCOc2cccc(C#N)c2)C1 ZINC001198554802 874500266 /nfs/dbraw/zinc/50/02/66/874500266.db2.gz UNDGCTUKRYKCEZ-QFIPXVFZSA-N 1 0 385.508 3.803 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000449147195 874534448 /nfs/dbraw/zinc/53/44/48/874534448.db2.gz FVRSSHFKKDMBDG-MNQCNDSGSA-N 1 0 381.398 3.753 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)CC1 ZINC000487531873 874555560 /nfs/dbraw/zinc/55/55/60/874555560.db2.gz DZMZWBNMVCRDKD-QHCPKHFHSA-N 1 0 390.531 3.599 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1Cl ZINC000770390955 874642385 /nfs/dbraw/zinc/64/23/85/874642385.db2.gz MXVNLVSXOIEONV-HKUYNNGSSA-N 1 0 375.900 3.726 20 30 GHEDRO CCc1ccc([C@@H](CO)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000541981974 874700385 /nfs/dbraw/zinc/70/03/85/874700385.db2.gz AWGLZQODTKJQFP-LJQANCHMSA-N 1 0 397.544 3.713 20 30 GHEDRO C#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1F ZINC000804416800 882856161 /nfs/dbraw/zinc/85/61/61/882856161.db2.gz SOHBIXZISAJKID-JXFKEZNVSA-N 1 0 385.870 3.577 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1F ZINC000804416801 882856981 /nfs/dbraw/zinc/85/69/81/882856981.db2.gz SOHBIXZISAJKID-OXJNMPFZSA-N 1 0 385.870 3.577 20 30 GHEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000609144625 874846213 /nfs/dbraw/zinc/84/62/13/874846213.db2.gz LNUPKOWNVMJTOE-SFHVURJKSA-N 1 0 388.515 3.802 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CC)[C@H](O)C(F)F)cc1OC ZINC000449419391 874858573 /nfs/dbraw/zinc/85/85/73/874858573.db2.gz AVMXHEBSTQJEPD-OCCSQVGLSA-N 1 0 394.256 3.517 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000770800909 874875519 /nfs/dbraw/zinc/87/55/19/874875519.db2.gz CIVHLTORFKVJQT-INIZCTEOSA-N 1 0 382.508 3.780 20 30 GHEDRO C[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542084143 874898170 /nfs/dbraw/zinc/89/81/70/874898170.db2.gz DJALIHJUACEINZ-KRWDZBQOSA-N 1 0 376.504 3.927 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cn1 ZINC000528848985 875152537 /nfs/dbraw/zinc/15/25/37/875152537.db2.gz DONHDQKRMPJJPW-BUXKBTBVSA-N 1 0 396.516 3.580 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000271771052 875155382 /nfs/dbraw/zinc/15/53/82/875155382.db2.gz FEUWIYJTKKBOHR-QFDBLCPBSA-N 1 0 389.908 3.627 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc(OC)c1O ZINC000449653837 875185137 /nfs/dbraw/zinc/18/51/37/875185137.db2.gz CULNZVCKYBEMRV-GGPKGHCWSA-N 1 0 385.508 3.613 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)CC(C)(C)O)cc1C ZINC000776033360 875248299 /nfs/dbraw/zinc/24/82/99/875248299.db2.gz KUURRAYWHJZLQY-UHFFFAOYSA-N 1 0 393.531 3.823 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001199951923 875269208 /nfs/dbraw/zinc/26/92/08/875269208.db2.gz MPTLLQPFPXHCIN-FUHWJXTLSA-N 1 0 386.540 3.749 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528939238 875296155 /nfs/dbraw/zinc/29/61/55/875296155.db2.gz NKRGSHPXBHQRED-OAQYLSRUSA-N 1 0 396.535 3.639 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000776147709 875581638 /nfs/dbraw/zinc/58/16/38/875581638.db2.gz ALTFZWMEPOLMEB-FGZHOGPDSA-N 1 0 378.520 3.909 20 30 GHEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776154053 875629768 /nfs/dbraw/zinc/62/97/68/875629768.db2.gz MQLBAMSWVPENGX-WMZHIEFXSA-N 1 0 379.504 3.622 20 30 GHEDRO C#Cc1nc(Br)cnc1N=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201470720 875727073 /nfs/dbraw/zinc/72/70/73/875727073.db2.gz VVNYMZUIPWIVIY-SJORKVTESA-N 1 0 395.304 3.953 20 30 GHEDRO Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1C#N ZINC000549867947 875728913 /nfs/dbraw/zinc/72/89/13/875728913.db2.gz JNEBUJDEIPKGJP-DEOSSOPVSA-N 1 0 389.543 3.885 20 30 GHEDRO Cn1c2ccccc2cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1=O ZINC000491472987 875731413 /nfs/dbraw/zinc/73/14/13/875731413.db2.gz ZIRWGLNIQINIBW-UHFFFAOYSA-N 1 0 397.482 3.605 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)ccc1OC ZINC001201593971 875773189 /nfs/dbraw/zinc/77/31/89/875773189.db2.gz CCYWYYSVNUJXCU-INIZCTEOSA-N 1 0 378.513 3.901 20 30 GHEDRO C=CCOc1cccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000491523462 875778299 /nfs/dbraw/zinc/77/82/99/875778299.db2.gz FECRCNKWZDCOEZ-HXUWFJFHSA-N 1 0 379.504 3.938 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 ZINC001201762831 875846804 /nfs/dbraw/zinc/84/68/04/875846804.db2.gz XHRRBUQSHAJRDI-DFQSSKMNSA-N 1 0 378.582 3.857 20 30 GHEDRO C=CCc1cc(C[NH2+]CCN(CCC)C(=O)OC(C)(C)C)cc(OC)c1O ZINC001201769201 875850964 /nfs/dbraw/zinc/85/09/64/875850964.db2.gz CECSZFNCJGYVBM-UHFFFAOYSA-N 1 0 378.513 3.866 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCCc2ccccn2)C1 ZINC001201813446 875872238 /nfs/dbraw/zinc/87/22/38/875872238.db2.gz DLJBLLBDHWKYNM-FYYLOGMGSA-N 1 0 387.568 3.582 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)cc1OCCCC#N ZINC000858250424 882976967 /nfs/dbraw/zinc/97/69/67/882976967.db2.gz MQWGYRUFGQNLGP-UHFFFAOYSA-N 1 0 381.476 3.650 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001201847690 875902337 /nfs/dbraw/zinc/90/23/37/875902337.db2.gz ZJBJXGXZIGJXEV-SIKLNZKXSA-N 1 0 388.556 3.581 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001201875174 875920068 /nfs/dbraw/zinc/92/00/68/875920068.db2.gz RQSMJYZZWXKWJD-QHCPKHFHSA-N 1 0 393.616 3.966 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC001202142728 876021219 /nfs/dbraw/zinc/02/12/19/876021219.db2.gz DHYYKOHUXWLXJC-UHFFFAOYSA-N 1 0 392.219 3.545 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000271913540 876035709 /nfs/dbraw/zinc/03/57/09/876035709.db2.gz YKHHXXPAQKJKSH-CRYYWNKWSA-N 1 0 381.545 3.611 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC001202264793 876075668 /nfs/dbraw/zinc/07/56/68/876075668.db2.gz ZNADKZPBTNKIDK-UHFFFAOYSA-N 1 0 397.350 3.817 20 30 GHEDRO C#CCN(C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)C1CC[NH+](C)CC1 ZINC000921466448 882997660 /nfs/dbraw/zinc/99/76/60/882997660.db2.gz BMMGEIGINPGIPU-NRFANRHFSA-N 1 0 396.922 3.563 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1OC ZINC000123070299 883012342 /nfs/dbraw/zinc/01/23/42/883012342.db2.gz IXAIFNWUCPAZFH-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000609334960 883029380 /nfs/dbraw/zinc/02/93/80/883029380.db2.gz MZFDREQEMIJIAJ-UHFFFAOYSA-N 1 0 391.544 3.737 20 30 GHEDRO N#Cc1ccc(OCC[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)cc1 ZINC000786104745 876447901 /nfs/dbraw/zinc/44/79/01/876447901.db2.gz JJSXMBRBVPXKPW-UHFFFAOYSA-N 1 0 393.487 3.575 20 30 GHEDRO CCOc1cc(C#N)ccc1OC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000776424464 876454825 /nfs/dbraw/zinc/45/48/25/876454825.db2.gz BVKLVMPBFPVAFR-XYOKQWHBSA-N 1 0 380.444 3.516 20 30 GHEDRO CCOc1cc(C[NH2+]C2CCN(CC#N)CC2)ccc1OCc1ccccc1 ZINC000609334695 883030924 /nfs/dbraw/zinc/03/09/24/883030924.db2.gz BJQPYDVNFGSKRS-UHFFFAOYSA-N 1 0 379.504 3.742 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1 ZINC000529662594 876476994 /nfs/dbraw/zinc/47/69/94/876476994.db2.gz SMILUXOTJWPMAY-UHFFFAOYSA-N 1 0 397.519 3.983 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000180003267 883044116 /nfs/dbraw/zinc/04/41/16/883044116.db2.gz WKRYYNSOVOYCMB-UHFFFAOYSA-N 1 0 394.494 3.524 20 30 GHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1cccc(Cl)c1 ZINC000180358214 883052689 /nfs/dbraw/zinc/05/26/89/883052689.db2.gz KCCFHIVRAQKXPG-UHFFFAOYSA-N 1 0 388.903 3.533 20 30 GHEDRO COC(OC)c1ccc(F)c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000850383184 876868414 /nfs/dbraw/zinc/86/84/14/876868414.db2.gz AMTUGYITBUGUKF-UHFFFAOYSA-N 1 0 384.451 3.784 20 30 GHEDRO Cc1nn(C)c2nc(Cl)c(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)cc12 ZINC000850384567 876869746 /nfs/dbraw/zinc/86/97/46/876869746.db2.gz XXKYNMGEZNETID-UHFFFAOYSA-N 1 0 395.894 3.597 20 30 GHEDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000450785090 876886493 /nfs/dbraw/zinc/88/64/93/876886493.db2.gz DQDBGIREDHURIJ-MRXNPFEDSA-N 1 0 383.517 3.599 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)CCOCC2)cc1 ZINC000530060652 877019280 /nfs/dbraw/zinc/01/92/80/877019280.db2.gz NHTVWYSNBRLDOP-UHFFFAOYSA-N 1 0 389.499 3.590 20 30 GHEDRO N#C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000174736610 877213848 /nfs/dbraw/zinc/21/38/48/877213848.db2.gz SJBVUGYHDANEJV-KRWDZBQOSA-N 1 0 396.318 3.709 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000609984724 877250184 /nfs/dbraw/zinc/25/01/84/877250184.db2.gz ZEXFJSUQPINDSY-JOCHJYFZSA-N 1 0 377.488 3.957 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000760184164 883111811 /nfs/dbraw/zinc/11/18/11/883111811.db2.gz AUHSIRFPSZRZCF-UHFFFAOYSA-N 1 0 389.297 3.769 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(C#N)cc1C#N)[C@@H](C)Cc1ccc(O)cc1 ZINC001183050225 912219731 /nfs/dbraw/zinc/21/97/31/912219731.db2.gz KGGUJRPTBNPNSP-KRWDZBQOSA-N 1 0 390.487 3.807 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000451105350 877402642 /nfs/dbraw/zinc/40/26/42/877402642.db2.gz MIOYGGYKAFVVAN-KRWDZBQOSA-N 1 0 380.448 3.809 20 30 GHEDRO CC[C@H](CNC(=O)Nc1cc(C#N)ccc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000064743591 877410683 /nfs/dbraw/zinc/41/06/83/877410683.db2.gz NLELYTURYMACRR-LJQANCHMSA-N 1 0 378.476 3.525 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000610133970 877448110 /nfs/dbraw/zinc/44/81/10/877448110.db2.gz BLZWBIKHQUXELO-SFHVURJKSA-N 1 0 397.544 3.720 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1 ZINC001183080659 912236895 /nfs/dbraw/zinc/23/68/95/912236895.db2.gz WORNELIXBBHAFM-UXHICEINSA-N 1 0 399.535 3.505 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCC2(O)CCC2)cc1OCC ZINC000551590079 877478276 /nfs/dbraw/zinc/47/82/76/877478276.db2.gz MHXZCMOEZDJNPW-UHFFFAOYSA-N 1 0 384.314 3.807 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336589 877572891 /nfs/dbraw/zinc/57/28/91/877572891.db2.gz WYWNBYRCLPIKFR-MEDUHNTESA-N 1 0 394.288 3.580 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)NCc1ccccc1 ZINC000237599068 877662890 /nfs/dbraw/zinc/66/28/90/877662890.db2.gz RREVIHPSDFDVEP-IBGZPJMESA-N 1 0 399.494 3.932 20 30 GHEDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000249296835 877750148 /nfs/dbraw/zinc/75/01/48/877750148.db2.gz MWPHQBWQEOXXFE-MBOZVWFJSA-N 1 0 398.551 3.524 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)nc3Cl)CC2)cc1 ZINC000788007505 877771538 /nfs/dbraw/zinc/77/15/38/877771538.db2.gz AABHBPLANYMIER-UHFFFAOYSA-N 1 0 375.303 3.968 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)cc1 ZINC000451349746 877801741 /nfs/dbraw/zinc/80/17/41/877801741.db2.gz BSDYYSASJUQAOZ-LJQANCHMSA-N 1 0 392.883 3.865 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000175683258 877845560 /nfs/dbraw/zinc/84/55/60/877845560.db2.gz OPWGNBITAALZOG-UHFFFAOYSA-N 1 0 375.513 3.652 20 30 GHEDRO CCCc1c(NC(=O)N(C)CCCC[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000615561750 877850773 /nfs/dbraw/zinc/85/07/73/877850773.db2.gz GPWHYPALZJXSAI-UHFFFAOYSA-N 1 0 382.512 3.502 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000530475058 877879766 /nfs/dbraw/zinc/87/97/66/877879766.db2.gz PUWZQWPKBLGUCT-OAHLLOKOSA-N 1 0 385.309 3.852 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245463488 877931236 /nfs/dbraw/zinc/93/12/36/877931236.db2.gz XLGVZFOBQGZJIK-ZWKOTPCHSA-N 1 0 388.581 3.826 20 30 GHEDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451521727 878082550 /nfs/dbraw/zinc/08/25/50/878082550.db2.gz FKYQGJSOENDWTG-MAUKXSAKSA-N 1 0 389.565 3.964 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)c(-c2ccncc2)n1 ZINC000788518460 878124980 /nfs/dbraw/zinc/12/49/80/878124980.db2.gz BUQFQSBYXOEZNT-HSZRJFAPSA-N 1 0 397.482 3.835 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852478884 878367178 /nfs/dbraw/zinc/36/71/78/878367178.db2.gz ZVYUCDVHLKQIAI-OALUTQOASA-N 1 0 393.453 3.756 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000180041805 878422169 /nfs/dbraw/zinc/42/21/69/878422169.db2.gz KAAKEGPAAILINF-QFIPXVFZSA-N 1 0 391.515 3.727 20 30 GHEDRO COc1ccc(C[N@H+](CCC(=O)N(C)CCC#N)C2CCCCC2)cc1OC ZINC000537852056 878430193 /nfs/dbraw/zinc/43/01/93/878430193.db2.gz VTOQKWWWQUBXRL-UHFFFAOYSA-N 1 0 387.524 3.601 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000180067224 878459112 /nfs/dbraw/zinc/45/91/12/878459112.db2.gz FSHFJWLYNDLOQZ-NHCUHLMSSA-N 1 0 376.460 3.666 20 30 GHEDRO CN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000455913156 878464157 /nfs/dbraw/zinc/46/41/57/878464157.db2.gz YOTUQVAJGYXPKO-VXKWHMMOSA-N 1 0 397.567 3.554 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H](O)c1ccc(Cl)cc1 ZINC000852731298 878560145 /nfs/dbraw/zinc/56/01/45/878560145.db2.gz WOTPDCWEXQQEHF-QHAWAJNXSA-N 1 0 397.906 3.665 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC001170096666 878576856 /nfs/dbraw/zinc/57/68/56/878576856.db2.gz YVGGGLUEXBVACT-YJBOKZPZSA-N 1 0 392.421 3.880 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460810585 878640727 /nfs/dbraw/zinc/64/07/27/878640727.db2.gz DMQRNDMTPNDCQP-UHFFFAOYSA-N 1 0 389.931 3.619 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000238065091 878664379 /nfs/dbraw/zinc/66/43/79/878664379.db2.gz BRSWNXJWDUXGJI-QFIPXVFZSA-N 1 0 393.487 3.776 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC000451976253 878798904 /nfs/dbraw/zinc/79/89/04/878798904.db2.gz MKEQXVDPISYEMG-UHFFFAOYSA-N 1 0 389.858 3.828 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cc(C#N)ccc1F ZINC000180380157 878816930 /nfs/dbraw/zinc/81/69/30/878816930.db2.gz OPKHYSLCIBSWIQ-UHFFFAOYSA-N 1 0 395.482 3.540 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCN(CC(F)(F)F)CC1 ZINC000452032097 878854651 /nfs/dbraw/zinc/85/46/51/878854651.db2.gz MZQHCWBKPUQQSN-UHFFFAOYSA-N 1 0 377.357 3.618 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)COc2ccc(C#N)cc2)C1 ZINC000789771040 879252596 /nfs/dbraw/zinc/25/25/96/879252596.db2.gz NXEKBIRINRKYKB-VGSWGCGISA-N 1 0 382.435 3.655 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Cc2ccc(OCC#N)cc2)CCCC1)c1ccccc1 ZINC000111619287 879303950 /nfs/dbraw/zinc/30/39/50/879303950.db2.gz XMWXRYOSEJHFJW-LJQANCHMSA-N 1 0 391.515 3.911 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000493366428 879384957 /nfs/dbraw/zinc/38/49/57/879384957.db2.gz CWDMCXVKLDRFMN-OXQOHEQNSA-N 1 0 377.513 3.876 20 30 GHEDRO S=C(NN=Cc1ccsc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000790147348 879484695 /nfs/dbraw/zinc/48/46/95/879484695.db2.gz CAXAJVNPVHKVCC-UHFFFAOYSA-N 1 0 392.981 3.864 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000790219816 879536365 /nfs/dbraw/zinc/53/63/65/879536365.db2.gz NUNODESDNDRQDX-SFHVURJKSA-N 1 0 378.369 3.615 20 30 GHEDRO C=CC[C@]1(C(=O)N(C)C2CC[NH+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790253457 879551755 /nfs/dbraw/zinc/55/17/55/879551755.db2.gz HSCNIXLUNZNPJZ-JOCHJYFZSA-N 1 0 393.572 3.663 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCCC2)C1=O ZINC000493738965 879626399 /nfs/dbraw/zinc/62/63/99/879626399.db2.gz WGECSURWCBFSRF-QGZVFWFLSA-N 1 0 377.326 3.637 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)NC(C)(C)c3cccc(C#N)c3)cc2)CC1 ZINC000854232415 879648748 /nfs/dbraw/zinc/64/87/48/879648748.db2.gz PCEUEUZMQYRBLP-UHFFFAOYSA-N 1 0 391.519 3.757 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000531442747 879862616 /nfs/dbraw/zinc/86/26/16/879862616.db2.gz ZFEVITZONOCRGT-GGAORHGYSA-N 1 0 388.515 3.905 20 30 GHEDRO C=CC[C@]1(C(=O)N2CCC(CC[NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790638410 879875664 /nfs/dbraw/zinc/87/56/64/879875664.db2.gz AVCUPSXKYXGIMX-JOCHJYFZSA-N 1 0 393.572 3.523 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247022875 879888194 /nfs/dbraw/zinc/88/81/94/879888194.db2.gz DJZNCZUXQVLLDG-ZACQAIPSSA-N 1 0 390.553 3.559 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccco1 ZINC000285967130 912518037 /nfs/dbraw/zinc/51/80/37/912518037.db2.gz GXZHWFBSXUILJA-OAQYLSRUSA-N 1 0 397.519 3.738 20 30 GHEDRO CCCCCCCc1ccc(-c2noc([C@H](N)CN3CCC([NH3+])CC3)n2)cc1 ZINC001212315017 880030985 /nfs/dbraw/zinc/03/09/85/880030985.db2.gz PHBONWMWWHOBLO-HXUWFJFHSA-N 1 0 385.556 3.672 20 30 GHEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000184146213 880232205 /nfs/dbraw/zinc/23/22/05/880232205.db2.gz AXYVLVWNMNZBDR-UHFFFAOYSA-N 1 0 392.503 3.890 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)n2)cc1 ZINC000795700962 912547827 /nfs/dbraw/zinc/54/78/27/912547827.db2.gz UAOYVJMSYNBRMD-AOHZBQACSA-N 1 0 384.483 3.884 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001183454552 912549122 /nfs/dbraw/zinc/54/91/22/912549122.db2.gz LUIBSKVSJZITPB-ACJLOTCBSA-N 1 0 383.879 3.694 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531715852 880347712 /nfs/dbraw/zinc/34/77/12/880347712.db2.gz NJUFCKCSCORCJT-KXBFYZLASA-N 1 0 398.457 3.812 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1=S ZINC000795705949 912558618 /nfs/dbraw/zinc/55/86/18/912558618.db2.gz JNXDZTOODSIKTB-JKSUJKDBSA-N 1 0 389.594 3.845 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000855304700 880423039 /nfs/dbraw/zinc/42/30/39/880423039.db2.gz NMZWOWBZCMGENL-HSZRJFAPSA-N 1 0 388.471 3.587 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)cc1 ZINC000113320172 880503395 /nfs/dbraw/zinc/50/33/95/880503395.db2.gz ACHLEBQXVUMVAT-UHFFFAOYSA-N 1 0 379.378 3.938 20 30 GHEDRO C=C(C)CN(CC)C(=O)CNc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000453147073 880511871 /nfs/dbraw/zinc/51/18/71/880511871.db2.gz NNPPFZCHRMUKFL-UHFFFAOYSA-N 1 0 379.932 3.650 20 30 GHEDRO CCCCN1CC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3Br)C2)C1=O ZINC001275192552 912575756 /nfs/dbraw/zinc/57/57/56/912575756.db2.gz STIZUNAIMPXCDY-IBGZPJMESA-N 1 0 390.325 3.545 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2CC)CC1 ZINC000185407762 880569192 /nfs/dbraw/zinc/56/91/92/880569192.db2.gz HMVCWROKMVXSKD-UHFFFAOYSA-N 1 0 386.927 3.858 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000791714849 880642596 /nfs/dbraw/zinc/64/25/96/880642596.db2.gz PHCJSBURMBREBY-YWZLYKJASA-N 1 0 376.460 3.672 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCn1cc(Br)ccc1=O ZINC000453240357 880669816 /nfs/dbraw/zinc/66/98/16/880669816.db2.gz CEDOXQBBBFMOKF-SFHVURJKSA-N 1 0 386.293 3.540 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000453334556 880803195 /nfs/dbraw/zinc/80/31/95/880803195.db2.gz XEUIIUMBWYNBKZ-QGZVFWFLSA-N 1 0 376.504 3.832 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000453416142 880882244 /nfs/dbraw/zinc/88/22/44/880882244.db2.gz USPDBJOCCREUPM-TYPHKJRUSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453439255 880900954 /nfs/dbraw/zinc/90/09/54/880900954.db2.gz KJKDLEWBVWJCFK-IAGOWNOFSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000453434487 880938875 /nfs/dbraw/zinc/93/88/75/880938875.db2.gz HEKUGKQFKLECIY-KRWDZBQOSA-N 1 0 383.515 3.505 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)CC1 ZINC000186688953 880958095 /nfs/dbraw/zinc/95/80/95/880958095.db2.gz KUJJWEFJXALJFG-UHFFFAOYSA-N 1 0 392.499 3.697 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000453462513 880962368 /nfs/dbraw/zinc/96/23/68/880962368.db2.gz HCFSEQUNNRKGIJ-SLFFLAALSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453464406 880967818 /nfs/dbraw/zinc/96/78/18/880967818.db2.gz LFTLBXYEFZPPNY-SBHAEUEKSA-N 1 0 395.551 3.805 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000453469860 880977601 /nfs/dbraw/zinc/97/76/01/880977601.db2.gz YHUISXVHJGDPCN-NRFANRHFSA-N 1 0 395.551 3.726 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000453470604 880981438 /nfs/dbraw/zinc/98/14/38/880981438.db2.gz QIOFYLDBVHUHBX-TZIWHRDSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000453471169 880984293 /nfs/dbraw/zinc/98/42/93/880984293.db2.gz SJJJSSKQCROVPD-LEWJYISDSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC001183582259 912662247 /nfs/dbraw/zinc/66/22/47/912662247.db2.gz KGRJLQJIIIERHC-UHFFFAOYSA-N 1 0 396.821 3.920 20 30 GHEDRO CC1CC[NH+](CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000609306491 881332823 /nfs/dbraw/zinc/33/28/23/881332823.db2.gz MXTXMTXSNLBCPA-UHFFFAOYSA-N 1 0 381.451 3.951 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)Cc1ccco1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000609520464 883293624 /nfs/dbraw/zinc/29/36/24/883293624.db2.gz NFRMHTGKEMIXLL-IBGZPJMESA-N 1 0 379.504 3.865 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000609526489 883313987 /nfs/dbraw/zinc/31/39/87/883313987.db2.gz HUVZBYMNWBIORZ-UHFFFAOYSA-N 1 0 378.476 3.740 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1OCCCC#N ZINC000184733047 883364091 /nfs/dbraw/zinc/36/40/91/883364091.db2.gz NECTUAONODKUBZ-SFHVURJKSA-N 1 0 382.508 3.566 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000102466245 883397976 /nfs/dbraw/zinc/39/79/76/883397976.db2.gz BUKGGPPBYVCMBO-QGZVFWFLSA-N 1 0 381.476 3.725 20 30 GHEDRO COc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(OC)c1 ZINC000609598638 883400707 /nfs/dbraw/zinc/40/07/07/883400707.db2.gz GWFZOOLNQANWDT-UHFFFAOYSA-N 1 0 390.487 3.813 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(C(=O)OC)cc1 ZINC000551165543 883405823 /nfs/dbraw/zinc/40/58/23/883405823.db2.gz SFWLNEUORZTPKK-LEWJYISDSA-N 1 0 391.471 3.581 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000476934409 883431277 /nfs/dbraw/zinc/43/12/77/883431277.db2.gz WHSPMJJXXRVAOM-UHFFFAOYSA-N 1 0 376.504 3.889 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1OCCCC#N ZINC000609620501 883437069 /nfs/dbraw/zinc/43/70/69/883437069.db2.gz GAAWRXHCVFWXCH-CQSZACIVSA-N 1 0 380.448 3.810 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000804908907 883442232 /nfs/dbraw/zinc/44/22/32/883442232.db2.gz KOOYRCUXMVWJLF-XMMPIXPASA-N 1 0 389.543 3.627 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747226246 883556462 /nfs/dbraw/zinc/55/64/62/883556462.db2.gz JETIVLQVDQYCLS-JOCHJYFZSA-N 1 0 376.460 3.959 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666157741 883624837 /nfs/dbraw/zinc/62/48/37/883624837.db2.gz DDOLWAZWDIWPDW-UHFFFAOYSA-N 1 0 378.520 3.691 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000477041977 883633089 /nfs/dbraw/zinc/63/30/89/883633089.db2.gz HMMYANBVVYTNKQ-NFBKMPQASA-N 1 0 383.536 3.831 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000859254326 883694999 /nfs/dbraw/zinc/69/49/99/883694999.db2.gz TZACFJDWXGUGBJ-SJLPKXTDSA-N 1 0 382.426 3.566 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000761694633 883718327 /nfs/dbraw/zinc/71/83/27/883718327.db2.gz UZJPPAICUNVHMD-NQIIRXRSSA-N 1 0 398.551 3.542 20 30 GHEDRO COc1ccc(C[NH2+]CCCn2cnc3ccccc32)cc1OCCCC#N ZINC000064613717 883753445 /nfs/dbraw/zinc/75/34/45/883753445.db2.gz OMOVOOPHRKWKDS-UHFFFAOYSA-N 1 0 378.476 3.907 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3cc(C#N)c4ccccc4n3)cc2)C[C@H](C)O1 ZINC000609891581 883799958 /nfs/dbraw/zinc/79/99/58/883799958.db2.gz JQWDPEDMTGDZJM-ROUUACIJSA-N 1 0 386.499 3.750 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CN2c3ccccc3Sc3ccccc32)CC1 ZINC000859524775 883870895 /nfs/dbraw/zinc/87/08/95/883870895.db2.gz IMGWFOOAGYEFTQ-UHFFFAOYSA-N 1 0 391.540 3.893 20 30 GHEDRO C=CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OC ZINC000024652168 883955466 /nfs/dbraw/zinc/95/54/66/883955466.db2.gz VJFVSHXKLCCKKL-UHFFFAOYSA-N 1 0 380.488 3.786 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000116923903 884035273 /nfs/dbraw/zinc/03/52/73/884035273.db2.gz FRLFCGWFEASLHC-DOTOQJQBSA-N 1 0 387.430 3.947 20 30 GHEDRO Clc1ccc(OCc2nc(C=NNCC[NH+]3CCCCC3)cs2)cc1 ZINC000918712929 884215179 /nfs/dbraw/zinc/21/51/79/884215179.db2.gz TYDPFPIODBQVCS-UHFFFAOYSA-N 1 0 378.929 3.785 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860038007 884280246 /nfs/dbraw/zinc/28/02/46/884280246.db2.gz MMYXUFJDHHQNLW-FFGOWVMKSA-N 1 0 397.519 3.644 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1OCCCC#N ZINC000064614156 884294277 /nfs/dbraw/zinc/29/42/77/884294277.db2.gz CSBHUKPNIJGSIH-UHFFFAOYSA-N 1 0 394.519 3.527 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000495016973 884357110 /nfs/dbraw/zinc/35/71/10/884357110.db2.gz KCESWDVETBMXRI-OALUTQOASA-N 1 0 379.508 3.541 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000806291516 884572091 /nfs/dbraw/zinc/57/20/91/884572091.db2.gz YWENSAOTRYOQCV-HXUWFJFHSA-N 1 0 379.504 3.692 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000806294931 884574800 /nfs/dbraw/zinc/57/48/00/884574800.db2.gz KNXLOYFLDGFVKR-RTWAWAEBSA-N 1 0 379.504 3.740 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)[NH+]1CCCCC1 ZINC000612132859 884678999 /nfs/dbraw/zinc/67/89/99/884678999.db2.gz LXWFFUJDARZXJT-KNQAVFIVSA-N 1 0 384.524 3.557 20 30 GHEDRO COc1ccc(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)cc1OCCCC#N ZINC000495171384 884730845 /nfs/dbraw/zinc/73/08/45/884730845.db2.gz FOEDRRUQXHPPDC-UHFFFAOYSA-N 1 0 379.460 3.639 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487855414 884776529 /nfs/dbraw/zinc/77/65/29/884776529.db2.gz LDWDTTBMVTUYHD-UHFFFAOYSA-N 1 0 379.302 3.705 20 30 GHEDRO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495203860 884804045 /nfs/dbraw/zinc/80/40/45/884804045.db2.gz SUXZJZVAQPENLK-VFNWGFHPSA-N 1 0 389.565 3.700 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC001183872333 912866712 /nfs/dbraw/zinc/86/67/12/912866712.db2.gz XLELLAAEYSJKMV-YOEHRIQHSA-N 1 0 379.426 3.971 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(C(F)(F)F)s3)C2=O)cc1 ZINC000428552167 884866946 /nfs/dbraw/zinc/86/69/46/884866946.db2.gz USVUHTRMPNVUQZ-HNNXBMFYSA-N 1 0 379.407 3.529 20 30 GHEDRO C=CCN(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H](C)COC ZINC000666383745 884904195 /nfs/dbraw/zinc/90/41/95/884904195.db2.gz JCAWPNZSSRSIHX-GOSISDBHSA-N 1 0 375.513 3.606 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1 ZINC001168294499 884968531 /nfs/dbraw/zinc/96/85/31/884968531.db2.gz BFXMCBVHLWDTKD-OAQYLSRUSA-N 1 0 378.447 3.873 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CCO)C(C)(C)C)cc1OC ZINC000556478324 885086228 /nfs/dbraw/zinc/08/62/28/885086228.db2.gz LFTOBARUDZYNTE-MRXNPFEDSA-N 1 0 386.330 3.909 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)C(C)C ZINC000914879464 885099690 /nfs/dbraw/zinc/09/96/90/885099690.db2.gz HXKJSDHHQIJGCT-IBGZPJMESA-N 1 0 380.492 3.679 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460387705 885234448 /nfs/dbraw/zinc/23/44/48/885234448.db2.gz MHSSUKYXDAWVBF-FQEVSTJZSA-N 1 0 390.535 3.570 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000807465115 885459937 /nfs/dbraw/zinc/45/99/37/885459937.db2.gz DVVAJQOMFYXALK-MDNUFGMLSA-N 1 0 381.564 3.917 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000807465111 885460067 /nfs/dbraw/zinc/46/00/67/885460067.db2.gz DVVAJQOMFYXALK-ACIOBRDBSA-N 1 0 381.564 3.917 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000807470294 885465390 /nfs/dbraw/zinc/46/53/90/885465390.db2.gz QCSGVEZQQMZFLC-ZJSXRUAMSA-N 1 0 389.543 3.927 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccc(Cl)cc4)CCOCC3)n2c1 ZINC000556583256 885555794 /nfs/dbraw/zinc/55/57/94/885555794.db2.gz GBWGTNDBCDXSGC-UHFFFAOYSA-N 1 0 380.879 3.697 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1 ZINC000537585234 885609483 /nfs/dbraw/zinc/60/94/83/885609483.db2.gz SWHTUKPLXOPXFX-UHFFFAOYSA-N 1 0 397.906 3.862 20 30 GHEDRO C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3cc(Br)ccn3)C2)C1=O ZINC001275281772 912960448 /nfs/dbraw/zinc/96/04/48/912960448.db2.gz IASRYEBHTZMNLD-HXUWFJFHSA-N 1 0 398.304 3.520 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171060328 885708266 /nfs/dbraw/zinc/70/82/66/885708266.db2.gz UZFMQJXHVZAGPJ-LJQANCHMSA-N 1 0 378.476 3.615 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648773271 885739276 /nfs/dbraw/zinc/73/92/76/885739276.db2.gz AHASCGXEBHYZFQ-UHFFFAOYSA-N 1 0 394.338 3.829 20 30 GHEDRO COc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)CC2 ZINC000532490106 885794236 /nfs/dbraw/zinc/79/42/36/885794236.db2.gz RDZRXQQCOMLBGA-UHFFFAOYSA-N 1 0 395.528 3.894 20 30 GHEDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000532486695 885821295 /nfs/dbraw/zinc/82/12/95/885821295.db2.gz IXCMDLJGTKVAOL-OAHLLOKOSA-N 1 0 394.431 3.848 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCc1ccc(C#N)cc1 ZINC001131109344 885897745 /nfs/dbraw/zinc/89/77/45/885897745.db2.gz SFRJUECVIDMMFL-IBGZPJMESA-N 1 0 391.515 3.784 20 30 GHEDRO C[NH+](C)CCCCC(=O)N1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001184057332 912987669 /nfs/dbraw/zinc/98/76/69/912987669.db2.gz XENKOLJGSVXSQO-UHFFFAOYSA-N 1 0 392.341 3.565 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)CC1 ZINC000084680746 886000493 /nfs/dbraw/zinc/00/04/93/886000493.db2.gz HWSPMRJUHMCFNW-LWEYNCJUSA-N 1 0 382.552 3.718 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000153557954 886247741 /nfs/dbraw/zinc/24/77/41/886247741.db2.gz MKNCIVLXSCNRQV-QHCPKHFHSA-N 1 0 378.472 3.758 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(c3ncc(C(=O)OC)s3)CC2)cc1 ZINC000862474599 886398543 /nfs/dbraw/zinc/39/85/43/886398543.db2.gz VUWPHFQSCNXJDG-UHFFFAOYSA-N 1 0 384.501 3.711 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000747500019 886405628 /nfs/dbraw/zinc/40/56/28/886405628.db2.gz QEKAMXPEWOXEGN-NRFANRHFSA-N 1 0 398.551 3.964 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670195631 886684174 /nfs/dbraw/zinc/68/41/74/886684174.db2.gz TXTLZSRFUWXLFY-SFHVURJKSA-N 1 0 399.514 3.637 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508889458 886689959 /nfs/dbraw/zinc/68/99/59/886689959.db2.gz SMOJUDGUIYWYCW-UHFFFAOYSA-N 1 0 399.589 3.543 20 30 GHEDRO CCc1ccc2c(C[N@H+](C)CCOCc3ccc(C#N)cc3)cc(=O)oc2c1 ZINC000808786662 886776268 /nfs/dbraw/zinc/77/62/68/886776268.db2.gz BJFHVEMVEWPTQU-UHFFFAOYSA-N 1 0 376.456 3.876 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000248970607 886995750 /nfs/dbraw/zinc/99/57/50/886995750.db2.gz DDVDNLBBTNBWDX-RQUSPXKASA-N 1 0 387.842 3.798 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000272322669 887091023 /nfs/dbraw/zinc/09/10/23/887091023.db2.gz WGCNOKPALGLOBN-OAHLLOKOSA-N 1 0 379.460 3.571 20 30 GHEDRO CC(C)(C)OC(=O)N(CC[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CCCCCC1 ZINC000863552444 887207369 /nfs/dbraw/zinc/20/73/69/887207369.db2.gz SALQCMDJHYXGMF-SFHVURJKSA-N 1 0 379.545 3.591 20 30 GHEDRO CCc1ccc([C@H](C#N)NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000809258694 887236530 /nfs/dbraw/zinc/23/65/30/887236530.db2.gz DNOIYYVOVCYPBK-GUIXVQPWSA-N 1 0 377.488 3.584 20 30 GHEDRO C#CCNC(=O)c1cccc(-c2noc([C@H](c3ccccc3)[NH+](CC)CC)n2)c1 ZINC000809347151 887312981 /nfs/dbraw/zinc/31/29/81/887312981.db2.gz YPELWTMMZJMHMC-FQEVSTJZSA-N 1 0 388.471 3.531 20 30 GHEDRO C[C@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(O)cc1 ZINC001184289508 913139267 /nfs/dbraw/zinc/13/92/67/913139267.db2.gz XFJOJCFBNFDDCA-NDXORKPFSA-N 1 0 377.488 3.666 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)CC1 ZINC000171736586 887538317 /nfs/dbraw/zinc/53/83/17/887538317.db2.gz ZBYRCPOUYDJIJC-UHFFFAOYSA-N 1 0 398.551 3.863 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H](O)c1ccccc1 ZINC000794607392 887659831 /nfs/dbraw/zinc/65/98/31/887659831.db2.gz USKHOQCGCLYXGI-WTOYTKOKSA-N 1 0 397.494 3.809 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000809738435 887771389 /nfs/dbraw/zinc/77/13/89/887771389.db2.gz XNHBEQKXRRGBOT-HSZRJFAPSA-N 1 0 399.535 3.788 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670234286 887809870 /nfs/dbraw/zinc/80/98/70/887809870.db2.gz FUQJRHGOGUVHER-HNNXBMFYSA-N 1 0 391.466 3.653 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1C ZINC000810009304 888075896 /nfs/dbraw/zinc/07/58/96/888075896.db2.gz WLOIHVVENGBOTM-ISKFKSNPSA-N 1 0 390.531 3.585 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)CCOCC1 ZINC000810034086 888115791 /nfs/dbraw/zinc/11/57/91/888115791.db2.gz MLUNJDMTRYWLMG-IBGZPJMESA-N 1 0 377.529 3.610 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000810088176 888143189 /nfs/dbraw/zinc/14/31/89/888143189.db2.gz VGJSROXYCLFCPQ-LEWJYISDSA-N 1 0 399.535 3.561 20 30 GHEDRO N#CCc1ccsc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000865092537 888186731 /nfs/dbraw/zinc/18/67/31/888186731.db2.gz SLKAHEZPPYJGLF-UHFFFAOYSA-N 1 0 396.516 3.881 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NCc3nc(C#N)cs3)cc2Cl)CC1 ZINC000810134981 888202706 /nfs/dbraw/zinc/20/27/06/888202706.db2.gz GSLZAMNLPOYCRB-UHFFFAOYSA-N 1 0 375.929 3.812 20 30 GHEDRO COC[C@@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCCN1C(=O)OC(C)(C)C ZINC000810241000 888338846 /nfs/dbraw/zinc/33/88/46/888338846.db2.gz KOZPPBKMPSJXGO-UGKGYDQZSA-N 1 0 385.508 3.551 20 30 GHEDRO COCC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000810241196 888339043 /nfs/dbraw/zinc/33/90/43/888339043.db2.gz ORWHHTZOMQXIBZ-FQEVSTJZSA-N 1 0 399.535 3.799 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000763224975 888370526 /nfs/dbraw/zinc/37/05/26/888370526.db2.gz HHFFJFVBKIWBHS-JOCHJYFZSA-N 1 0 388.467 3.969 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cccnc3Br)CC2)nc1 ZINC000865516806 888401728 /nfs/dbraw/zinc/40/17/28/888401728.db2.gz DLQRJOPHDYYXJH-UHFFFAOYSA-N 1 0 387.281 3.591 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193877278 888531676 /nfs/dbraw/zinc/53/16/76/888531676.db2.gz PFWMOLNOSNKQGL-MJGOQNOKSA-N 1 0 378.476 3.621 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC001132306577 888578629 /nfs/dbraw/zinc/57/86/29/888578629.db2.gz JHBJXNZBFDRVDY-WTIAFYNJSA-N 1 0 375.516 3.958 20 30 GHEDRO Cc1ncc(CO)c(/C=N/Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000915981794 888597836 /nfs/dbraw/zinc/59/78/36/888597836.db2.gz HLZHBDBYDMJWFO-YWQQNBBASA-N 1 0 381.520 3.685 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3sccc3Cl)C2)C1=O ZINC001275313477 913271343 /nfs/dbraw/zinc/27/13/43/913271343.db2.gz FFXLIYBLSOCTGM-UWJYYQICSA-N 1 0 384.932 3.853 20 30 GHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)Cc1ccccc1 ZINC001184500601 913277869 /nfs/dbraw/zinc/27/78/69/913277869.db2.gz KDXHSDOWKHMZJJ-OAHLLOKOSA-N 1 0 384.405 3.530 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc3c(cnn3C)c2)no1 ZINC001211975952 888780135 /nfs/dbraw/zinc/78/01/35/888780135.db2.gz VKVSTJXYMZIBIQ-HKUYNNGSSA-N 1 0 383.496 3.701 20 30 GHEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)Cc1ccccc1 ZINC001184500600 913278511 /nfs/dbraw/zinc/27/85/11/913278511.db2.gz KDXHSDOWKHMZJJ-HNNXBMFYSA-N 1 0 384.405 3.530 20 30 GHEDRO CN1CC[NH+](Cc2ccc(NCc3cccc(OCCCC#N)c3)cc2)CC1 ZINC000532730859 888830863 /nfs/dbraw/zinc/83/08/63/888830863.db2.gz UDHAKPWTYVYRJK-UHFFFAOYSA-N 1 0 378.520 3.729 20 30 GHEDRO C[C@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000866443272 888880751 /nfs/dbraw/zinc/88/07/51/888880751.db2.gz IXGGOBOZIKMLSS-IBGZPJMESA-N 1 0 379.504 3.661 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccc(N2CCOC2=O)c1 ZINC000866449614 888882837 /nfs/dbraw/zinc/88/28/37/888882837.db2.gz YHEPIGVMUHLLNW-QGZVFWFLSA-N 1 0 390.487 3.834 20 30 GHEDRO Cn1cc([C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)c2cccc(F)c2)cn1 ZINC000866448692 888883229 /nfs/dbraw/zinc/88/32/29/888883229.db2.gz JURIBYDAQZWTRV-HSZRJFAPSA-N 1 0 389.478 3.779 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000532758737 888895248 /nfs/dbraw/zinc/89/52/48/888895248.db2.gz LCEDMMKXKDVOKB-IYBDPMFKSA-N 1 0 380.448 3.688 20 30 GHEDRO C=CC[C@]1(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000810842293 888933184 /nfs/dbraw/zinc/93/31/84/888933184.db2.gz URFGPXOTWCLMMK-CBGDNZLLSA-N 1 0 378.513 3.502 20 30 GHEDRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000130649242 888969480 /nfs/dbraw/zinc/96/94/80/888969480.db2.gz ICALUTVRUYZKIL-UHFFFAOYSA-N 1 0 399.564 3.744 20 30 GHEDRO CCC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000916588490 889147930 /nfs/dbraw/zinc/14/79/30/889147930.db2.gz SAMAKXKJVSZGTL-UHFFFAOYSA-N 1 0 386.590 3.991 20 30 GHEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000867954118 889235023 /nfs/dbraw/zinc/23/50/23/889235023.db2.gz JAJJHINHQWPWSK-AZUAARDMSA-N 1 0 388.496 3.718 20 30 GHEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000867954121 889235266 /nfs/dbraw/zinc/23/52/66/889235266.db2.gz JAJJHINHQWPWSK-ICSRJNTNSA-N 1 0 388.496 3.718 20 30 GHEDRO COc1cc(CN2CC[NH+](C(C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000532908582 889255293 /nfs/dbraw/zinc/25/52/93/889255293.db2.gz MSOATLMAZCLSGF-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000454534245 889283912 /nfs/dbraw/zinc/28/39/12/889283912.db2.gz XCQWGRKMKCASDE-UHFFFAOYSA-N 1 0 380.492 3.793 20 30 GHEDRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000454558006 889322217 /nfs/dbraw/zinc/32/22/17/889322217.db2.gz CMJFYZKTDIUMDG-CQSZACIVSA-N 1 0 382.430 3.677 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000454564262 889335277 /nfs/dbraw/zinc/33/52/77/889335277.db2.gz LGPSCLCBNWGDRI-QRWLVFNGSA-N 1 0 382.533 3.943 20 30 GHEDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000868210893 889354321 /nfs/dbraw/zinc/35/43/21/889354321.db2.gz RHAIZVYHDOJHGX-MAUKXSAKSA-N 1 0 382.430 3.568 20 30 GHEDRO C=CCN1C(=O)c2ccccc2NC12CC[NH+](CCc1ccc(F)cc1)CC2 ZINC000124685925 889723779 /nfs/dbraw/zinc/72/37/79/889723779.db2.gz YIQMYYWBHRHFQC-UHFFFAOYSA-N 1 0 379.479 3.914 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001132877068 889747075 /nfs/dbraw/zinc/74/70/75/889747075.db2.gz DOQNXGHJXCYVGT-QFIPXVFZSA-N 1 0 388.515 3.641 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000666754887 889827307 /nfs/dbraw/zinc/82/73/07/889827307.db2.gz WTYDEOJSWSILLN-LJQANCHMSA-N 1 0 375.561 3.672 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C(F)(F)F ZINC001168516898 889841476 /nfs/dbraw/zinc/84/14/76/889841476.db2.gz BVEDRLSOSJBOQN-CVEARBPZSA-N 1 0 383.414 3.978 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Cc1cccc(OCC#N)c1 ZINC001133035651 890015339 /nfs/dbraw/zinc/01/53/39/890015339.db2.gz IWCRHOZZPMOVPC-QFIPXVFZSA-N 1 0 391.515 3.645 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000811874316 890068810 /nfs/dbraw/zinc/06/88/10/890068810.db2.gz KFASWVBCVAWSHL-KNQAVFIVSA-N 1 0 395.934 3.878 20 30 GHEDRO C#C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000811964914 890170126 /nfs/dbraw/zinc/17/01/26/890170126.db2.gz TZCCTKLDIZOOQG-FQEVSTJZSA-N 1 0 382.895 3.625 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000811992417 890179227 /nfs/dbraw/zinc/17/92/27/890179227.db2.gz HZMNZZDFSOSBNI-VQTJNVASSA-N 1 0 385.895 3.625 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1N=Cc1cc(Br)ccc1O ZINC000263635535 890189488 /nfs/dbraw/zinc/18/94/88/890189488.db2.gz DSRWYBGHPQMZKK-UHFFFAOYSA-N 1 0 388.309 3.966 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870186532 890253468 /nfs/dbraw/zinc/25/34/68/890253468.db2.gz XFWSWODYWXDSGK-LJQANCHMSA-N 1 0 387.527 3.743 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3cc(C#N)sc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001184819891 913460358 /nfs/dbraw/zinc/46/03/58/913460358.db2.gz HFZCWRSGYQWEMD-KBPBESRZSA-N 1 0 386.477 3.749 20 30 GHEDRO C=CCC1(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000644703883 913470484 /nfs/dbraw/zinc/47/04/84/913470484.db2.gz SZBXYXMHNRZAPP-FDFHNCONSA-N 1 0 382.548 3.776 20 30 GHEDRO CCCc1c(NC(=O)NC(C)(C)C[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000455232943 890567565 /nfs/dbraw/zinc/56/75/65/890567565.db2.gz TXCCRJGQOYMBHI-UHFFFAOYSA-N 1 0 394.523 3.692 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000287698844 913491215 /nfs/dbraw/zinc/49/12/15/913491215.db2.gz FWGMEZUWURJSSN-UHFFFAOYSA-N 1 0 397.519 3.693 20 30 GHEDRO Cc1nc(N(C)Cc2cccc(C#N)c2)cc(N(C)Cc2cccc(C#N)c2)[nH+]1 ZINC000533559627 890848572 /nfs/dbraw/zinc/84/85/72/890848572.db2.gz IUSYRVRSBQVXDA-UHFFFAOYSA-N 1 0 382.471 3.801 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000066391870 890929162 /nfs/dbraw/zinc/92/91/62/890929162.db2.gz UTLFAJPOIOIQNQ-QGZVFWFLSA-N 1 0 376.928 3.567 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)cc2)C1 ZINC000917075816 890975821 /nfs/dbraw/zinc/97/58/21/890975821.db2.gz PDFGIWDRETZZJT-HOTGVXAUSA-N 1 0 379.464 3.951 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000812893034 891107814 /nfs/dbraw/zinc/10/78/14/891107814.db2.gz XNUUANKPWCNNDP-HSQYWUDLSA-N 1 0 379.479 3.852 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000812936668 891144530 /nfs/dbraw/zinc/14/45/30/891144530.db2.gz TXQXJHKEMVIYBE-ISKFKSNPSA-N 1 0 391.490 3.808 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872280462 891226101 /nfs/dbraw/zinc/22/61/01/891226101.db2.gz RFXXAZVMTLEPBT-RTBURBONSA-N 1 0 390.487 3.647 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813030582 891229088 /nfs/dbraw/zinc/22/90/88/891229088.db2.gz NAIMCJJLWBAESY-FGZHOGPDSA-N 1 0 395.478 3.645 20 30 GHEDRO C[C@@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000428824733 891246422 /nfs/dbraw/zinc/24/64/22/891246422.db2.gz PJPDLVJMWKHGNE-CEXWTWQISA-N 1 0 398.551 3.540 20 30 GHEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000747838422 891274057 /nfs/dbraw/zinc/27/40/57/891274057.db2.gz BKSYQYMVQSOSFC-UHFFFAOYSA-N 1 0 381.398 3.526 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124166775 891290933 /nfs/dbraw/zinc/29/09/33/891290933.db2.gz DCJDHXDRYUWENI-FQEVSTJZSA-N 1 0 378.520 3.786 20 30 GHEDRO C=CCn1c(-c2ccccn2)nn(CN2CCC(C)([NH+]3CCCC3)CC2)c1=S ZINC000872644096 891293813 /nfs/dbraw/zinc/29/38/13/891293813.db2.gz DNQOPRQMDPNSDQ-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1 ZINC000124350477 891413972 /nfs/dbraw/zinc/41/39/72/891413972.db2.gz HPUUCGMHBJPIGS-UHFFFAOYSA-N 1 0 379.508 3.539 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)c1ccccc1 ZINC000287880907 913574771 /nfs/dbraw/zinc/57/47/71/913574771.db2.gz SVUDYITZNDGRTA-UHFFFAOYSA-N 1 0 395.478 3.754 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000128327338 891669892 /nfs/dbraw/zinc/66/98/92/891669892.db2.gz FBOPONSFNCGQAC-UHFFFAOYSA-N 1 0 380.330 3.705 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1C ZINC000128330472 891675539 /nfs/dbraw/zinc/67/55/39/891675539.db2.gz AZAHXENMFLTAFR-TZIWHRDSSA-N 1 0 379.508 3.520 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C2)C1 ZINC000813653329 891840552 /nfs/dbraw/zinc/84/05/52/891840552.db2.gz BVFQZJIMTHCYRA-OAQYLSRUSA-N 1 0 380.517 3.524 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC001133898845 891939458 /nfs/dbraw/zinc/93/94/58/891939458.db2.gz MOUZHFPDFCJLCC-KAMYIIQDSA-N 1 0 391.515 3.649 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261627815 892048031 /nfs/dbraw/zinc/04/80/31/892048031.db2.gz DQDLJFHYZBVIMK-IBGZPJMESA-N 1 0 397.544 3.558 20 30 GHEDRO C#CCN(C(=O)c1cc2cc(C)cc(Br)c2o1)C1CC[NH+](C)CC1 ZINC001134043074 892206020 /nfs/dbraw/zinc/20/60/20/892206020.db2.gz FCOJMWZKRKWJOW-UHFFFAOYSA-N 1 0 389.293 3.673 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc(N(C)C)cc1 ZINC000154479376 892378144 /nfs/dbraw/zinc/37/81/44/892378144.db2.gz JXPVPLDLUGINKK-KRWDZBQOSA-O 1 0 384.569 3.984 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(C)cc1 ZINC000154494965 892419213 /nfs/dbraw/zinc/41/92/13/892419213.db2.gz ZGTSVMIWUFOELC-OAHLLOKOSA-O 1 0 384.525 3.568 20 30 GHEDRO C=CCc1ccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OC)c1 ZINC000875044534 892428082 /nfs/dbraw/zinc/42/80/82/892428082.db2.gz KLMKSXYSGVAFPW-PMACEKPBSA-N 1 0 397.519 3.577 20 30 GHEDRO CCc1c(C)sc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C#N ZINC000875298521 892533865 /nfs/dbraw/zinc/53/38/65/892533865.db2.gz YISOHDNVSFRETF-IEBWSBKVSA-N 1 0 399.564 3.677 20 30 GHEDRO C=CCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000497992973 892929853 /nfs/dbraw/zinc/92/98/53/892929853.db2.gz JWPYMBFMEJBCPW-OAQYLSRUSA-N 1 0 380.488 3.827 20 30 GHEDRO C#CCC1(NCc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)CCCCC1 ZINC000933269930 892985057 /nfs/dbraw/zinc/98/50/57/892985057.db2.gz WHJSCZHKIRORFF-UHFFFAOYSA-N 1 0 376.501 3.645 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000778167920 893016206 /nfs/dbraw/zinc/01/62/06/893016206.db2.gz UFCYNYWCCVOXSC-UHFFFAOYSA-N 1 0 390.955 3.865 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000126002080 893221682 /nfs/dbraw/zinc/22/16/82/893221682.db2.gz CQBVVRJRMIXRCK-HSZRJFAPSA-N 1 0 375.447 3.871 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2C2CC2)[C@@H](C)C1 ZINC000933837920 893249275 /nfs/dbraw/zinc/24/92/75/893249275.db2.gz JYYAQORWWZISQG-OXJNMPFZSA-N 1 0 384.524 3.694 20 30 GHEDRO CC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1ccc(C[NH+](C)C)cc1 ZINC000814872400 893251244 /nfs/dbraw/zinc/25/12/44/893251244.db2.gz WGNMYCPDOWBZGR-UHFFFAOYSA-N 1 0 386.446 3.755 20 30 GHEDRO CCOP(=O)(CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1)OCC ZINC000876608460 893252344 /nfs/dbraw/zinc/25/23/44/893252344.db2.gz KSHUKBGJIYBLCF-UHFFFAOYSA-N 1 0 379.441 3.727 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000498115752 893316662 /nfs/dbraw/zinc/31/66/62/893316662.db2.gz BJVKMALYJKDKDH-UHFFFAOYSA-N 1 0 381.520 3.993 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000563125760 893382763 /nfs/dbraw/zinc/38/27/63/893382763.db2.gz AORYHRXAPHMTLW-UHFFFAOYSA-N 1 0 394.548 3.608 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C1CCN(CC(F)(F)F)CC1 ZINC000815111436 893439761 /nfs/dbraw/zinc/43/97/61/893439761.db2.gz VVLHOHQNCKLCET-CYBMUJFWSA-N 1 0 389.849 3.995 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)ccc1OC ZINC000877029747 893445839 /nfs/dbraw/zinc/44/58/39/893445839.db2.gz MJOKPWWSRUIURK-CTNGQTDRSA-N 1 0 379.504 3.992 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000877042413 893453867 /nfs/dbraw/zinc/45/38/67/893453867.db2.gz QUIYPGVKOZFUFE-HKUYNNGSSA-N 1 0 387.524 3.941 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000877128459 893500959 /nfs/dbraw/zinc/50/09/59/893500959.db2.gz BZGBFHLAWOIAFQ-UONOGXRCSA-N 1 0 385.455 3.921 20 30 GHEDRO C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000877224922 893535264 /nfs/dbraw/zinc/53/52/64/893535264.db2.gz PGXWWDVQVSEXEJ-FUHWJXTLSA-N 1 0 385.405 3.789 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)cc1 ZINC001137118146 893554063 /nfs/dbraw/zinc/55/40/63/893554063.db2.gz NKXBXQNNMJMZNH-NRFANRHFSA-N 1 0 384.520 3.634 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)nc1 ZINC000934346113 893560083 /nfs/dbraw/zinc/56/00/83/893560083.db2.gz QTHKPZTUUQXBEA-GOSISDBHSA-N 1 0 396.516 3.678 20 30 GHEDRO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119614 893573056 /nfs/dbraw/zinc/57/30/56/893573056.db2.gz ZOPDFVOMNOHBGW-AGILITTLSA-N 1 0 390.531 3.716 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001137121362 893649900 /nfs/dbraw/zinc/64/99/00/893649900.db2.gz HLECHBROUZNMBE-FCHUYYIVSA-N 1 0 378.472 3.900 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)[C@@H](C)CCO)c1C ZINC000536744065 893682985 /nfs/dbraw/zinc/68/29/85/893682985.db2.gz IAGIFFBJCLSRQH-FQEVSTJZSA-N 1 0 393.531 3.823 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cnn(CC2CCC2)c1 ZINC000934558355 893711906 /nfs/dbraw/zinc/71/19/06/893711906.db2.gz ZUPXEIFIKMJANI-MSOLQXFVSA-N 1 0 379.508 3.669 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877614794 893719464 /nfs/dbraw/zinc/71/94/64/893719464.db2.gz ICBHNVBGUYIYFH-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459534399 893752785 /nfs/dbraw/zinc/75/27/85/893752785.db2.gz QBUSOXWBNXNQMY-IBGZPJMESA-N 1 0 383.517 3.832 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000563463933 893764719 /nfs/dbraw/zinc/76/47/19/893764719.db2.gz GXJNXBJFDAZPSS-IBGZPJMESA-N 1 0 378.476 3.648 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000877807727 893818309 /nfs/dbraw/zinc/81/83/09/893818309.db2.gz GCWMDNRONNCUFN-HXUWFJFHSA-N 1 0 378.520 3.777 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cc(C#N)cs3)C2)CC1 ZINC000877810113 893821483 /nfs/dbraw/zinc/82/14/83/893821483.db2.gz OQGXXIOKDSIXJB-MRXNPFEDSA-N 1 0 391.537 3.516 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC(C)(C)CCC#N)C[C@H]1C(F)(F)F ZINC000877816014 893822749 /nfs/dbraw/zinc/82/27/49/893822749.db2.gz AZUUBLRCILXIAJ-UONOGXRCSA-N 1 0 377.451 3.951 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000877816147 893826153 /nfs/dbraw/zinc/82/61/53/893826153.db2.gz DJJOPQHYDCLNJK-HZPDHXFCSA-N 1 0 383.414 3.693 20 30 GHEDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000877816845 893828153 /nfs/dbraw/zinc/82/81/53/893828153.db2.gz NLMKAIRQAPESFP-UHFFFAOYSA-N 1 0 399.498 3.980 20 30 GHEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609280845 893863332 /nfs/dbraw/zinc/86/33/32/893863332.db2.gz QPHWMJXQNNMGLE-DENIHFKCSA-N 1 0 380.488 3.728 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459671313 894041009 /nfs/dbraw/zinc/04/10/09/894041009.db2.gz WKQRUTLSSYEADZ-QGZVFWFLSA-N 1 0 395.425 3.568 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC000878255753 894133448 /nfs/dbraw/zinc/13/34/48/894133448.db2.gz SKSWFUJIAXEFLL-HCLVMJGWSA-N 1 0 399.535 3.662 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CC1 ZINC000563764473 894161923 /nfs/dbraw/zinc/16/19/23/894161923.db2.gz QPSPEJPJBOZOMA-UHFFFAOYSA-N 1 0 393.944 3.964 20 30 GHEDRO C[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+](C2CC2)C1 ZINC000563784666 894189195 /nfs/dbraw/zinc/18/91/95/894189195.db2.gz AIFMVACJLPFCIT-GOSISDBHSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@@H]2OC)cc1OC ZINC000537025021 894231955 /nfs/dbraw/zinc/23/19/55/894231955.db2.gz HLQQZZDWQNQHHX-ZBFHGGJFSA-N 1 0 384.314 3.927 20 30 GHEDRO C=CCC(F)(F)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000815869017 894266027 /nfs/dbraw/zinc/26/60/27/894266027.db2.gz HGPPGMIUCJNNKO-UHFFFAOYSA-N 1 0 387.858 3.562 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc(OC)c1OC ZINC000022682581 894275412 /nfs/dbraw/zinc/27/54/12/894275412.db2.gz CRHOBOXEJRFCBC-IBGZPJMESA-N 1 0 386.467 3.604 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000459866699 894289922 /nfs/dbraw/zinc/28/99/22/894289922.db2.gz KYDOPCDQLRABPP-UHFFFAOYSA-N 1 0 390.531 3.826 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000815945746 894322068 /nfs/dbraw/zinc/32/20/68/894322068.db2.gz RKHJNPUFUIIVML-OAHLLOKOSA-N 1 0 385.414 3.609 20 30 GHEDRO COc1ccc([C@H]2[C@H](COC(=O)c3ncc(C#N)cc3C)CCC[N@@H+]2C)cc1 ZINC000815952249 894355559 /nfs/dbraw/zinc/35/55/59/894355559.db2.gz FZNKPWRNWZZHOY-RXVVDRJESA-N 1 0 379.460 3.510 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878563497 894387777 /nfs/dbraw/zinc/38/77/77/894387777.db2.gz UWWWLZQUUGALRI-DHIUTWEWSA-N 1 0 399.535 3.664 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc(N(C)C)cc1 ZINC000022797757 894408252 /nfs/dbraw/zinc/40/82/52/894408252.db2.gz FVLVPBCHHHCCFQ-UHFFFAOYSA-O 1 0 382.553 3.761 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N(CCC)CC[NH+]2CCCCCC2)cc1 ZINC000564165291 894672280 /nfs/dbraw/zinc/67/22/80/894672280.db2.gz KRWWWVSYOYEJCF-UHFFFAOYSA-N 1 0 386.540 3.722 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000537296767 894723487 /nfs/dbraw/zinc/72/34/87/894723487.db2.gz ZUFUSUZKXXPHOJ-ROUUACIJSA-N 1 0 397.544 3.830 20 30 GHEDRO N#Cc1cc(F)c(C(F)(F)F)cc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001185477264 913895955 /nfs/dbraw/zinc/89/59/55/913895955.db2.gz FRQXDCDEGCNGHH-LJQANCHMSA-N 1 0 393.384 3.765 20 30 GHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccc(C#N)o3)c2)cc1 ZINC000537299957 894727976 /nfs/dbraw/zinc/72/79/76/894727976.db2.gz OYROHJVROHZRAG-UHFFFAOYSA-N 1 0 391.427 3.581 20 30 GHEDRO C[C@H]1[C@@H](OC(=O)Cc2cccc(OCC#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000816470397 894829167 /nfs/dbraw/zinc/82/91/67/894829167.db2.gz NCGMDYQTPUCGEA-AVRDEDQJSA-N 1 0 378.472 3.728 20 30 GHEDRO Cc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000778409606 894897405 /nfs/dbraw/zinc/89/74/05/894897405.db2.gz INEBDZWHLXQFTK-QGZVFWFLSA-N 1 0 378.520 3.768 20 30 GHEDRO CN(Cc1cc(C#N)cc(CN(C)[C@@H]2CCC[C@@H]2C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879308591 894975691 /nfs/dbraw/zinc/97/56/91/894975691.db2.gz DLROPQNOYBLUFO-SSGKUCQKSA-N 1 0 375.520 3.806 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000564575442 895093095 /nfs/dbraw/zinc/09/30/95/895093095.db2.gz QANIHIPIMGFRKL-LBPRGKRZSA-N 1 0 384.293 3.599 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[NH+](C)C)cc1 ZINC001135715660 895151455 /nfs/dbraw/zinc/15/14/55/895151455.db2.gz YIJGHSWXGUKSKQ-JTHBVZDNSA-N 1 0 393.531 3.943 20 30 GHEDRO Cc1cncc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000879750235 895273040 /nfs/dbraw/zinc/27/30/40/895273040.db2.gz OFBQMLVKQWCMCG-GOSISDBHSA-N 1 0 380.517 3.978 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOc3c(C)cccc32)c(OC)c1 ZINC000564864108 895288073 /nfs/dbraw/zinc/28/80/73/895288073.db2.gz OMJJNTQODPHGMQ-UYAOXDASSA-N 1 0 383.488 3.585 20 30 GHEDRO Cc1nccnc1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000880106543 895516841 /nfs/dbraw/zinc/51/68/41/895516841.db2.gz LTHMKGMXLCYSKN-OLZOCXBDSA-N 1 0 383.521 3.522 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)c1C#N ZINC000565499204 895678622 /nfs/dbraw/zinc/67/86/22/895678622.db2.gz XPBDBONEOJBVLV-OAHLLOKOSA-N 1 0 386.540 3.656 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC000880716413 895827620 /nfs/dbraw/zinc/82/76/20/895827620.db2.gz QZFQLWKTFGDZGE-UHFFFAOYSA-N 1 0 384.430 3.965 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cc1OC ZINC000818221260 896087788 /nfs/dbraw/zinc/08/77/88/896087788.db2.gz QDPKVGWJFKPDNY-LJQANCHMSA-N 1 0 382.504 3.885 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c(OC)c1 ZINC000566121391 896122523 /nfs/dbraw/zinc/12/25/23/896122523.db2.gz FHAIOGFLBJYHFK-YVWKXTFCSA-N 1 0 383.488 3.665 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1OC ZINC000041315109 896200683 /nfs/dbraw/zinc/20/06/83/896200683.db2.gz DVSVYSMTSSMVAZ-UHFFFAOYSA-N 1 0 394.515 3.917 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)ccn1)[n+]1ccc2c(c1)CCCC2 ZINC000819059818 896345915 /nfs/dbraw/zinc/34/59/15/896345915.db2.gz IHKRZGPZUPVMTH-UHFFFAOYSA-O 1 0 380.537 3.933 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1 ZINC000881624870 896396870 /nfs/dbraw/zinc/39/68/70/896396870.db2.gz BAVUNDQGLZKPCI-UHFFFAOYSA-N 1 0 399.583 3.603 20 30 GHEDRO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cc2C1 ZINC000819249155 896489845 /nfs/dbraw/zinc/48/98/45/896489845.db2.gz HBUBHLBBFQDPIS-OAQYLSRUSA-N 1 0 393.487 3.632 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000566825193 896604220 /nfs/dbraw/zinc/60/42/20/896604220.db2.gz IXWMAVQHLNBBIJ-RTBURBONSA-N 1 0 388.519 3.625 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3cc(N4CCCC[C@@H]4C)ccc32)CC1 ZINC000819469656 896785736 /nfs/dbraw/zinc/78/57/36/896785736.db2.gz SNRHEOOGYOVWEM-IBGZPJMESA-N 1 0 379.548 3.690 20 30 GHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882725135 896935484 /nfs/dbraw/zinc/93/54/84/896935484.db2.gz KZJLTQPVZLDXBD-OAHLLOKOSA-N 1 0 388.874 3.636 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)C2=O)cc1 ZINC000567283652 897033448 /nfs/dbraw/zinc/03/34/48/897033448.db2.gz NTCPTWPSAVTOGV-ZJSXRUAMSA-N 1 0 387.483 3.523 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](CCc3ccc(Cl)cc3Cl)CC2)C1=O ZINC001276323565 914130103 /nfs/dbraw/zinc/13/01/03/914130103.db2.gz DHJPVQNXLGKZDB-HXUWFJFHSA-N 1 0 379.331 3.874 20 30 GHEDRO C=CCOc1cccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000567592612 897279494 /nfs/dbraw/zinc/27/94/94/897279494.db2.gz YQGMVURLWDVFOM-UHFFFAOYSA-N 1 0 379.909 3.858 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@](C)(C#N)C3)cc2Cl)CC1 ZINC000820395029 897303190 /nfs/dbraw/zinc/30/31/90/897303190.db2.gz RXBONWSBVUPYKY-HXUWFJFHSA-N 1 0 389.931 3.639 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000883219533 897380698 /nfs/dbraw/zinc/38/06/98/897380698.db2.gz VDQPNEQIWPMXKF-CVEARBPZSA-N 1 0 391.455 3.712 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000883220541 897381315 /nfs/dbraw/zinc/38/13/15/897381315.db2.gz LGHLWJYCRRNHMZ-SJORKVTESA-N 1 0 391.455 3.712 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000131273572 897390153 /nfs/dbraw/zinc/39/01/53/897390153.db2.gz OQKLHODVRRXVNB-MJGOQNOKSA-N 1 0 387.524 3.952 20 30 GHEDRO C[C@@]1(C#N)CCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000820816130 897542896 /nfs/dbraw/zinc/54/28/96/897542896.db2.gz GVGJHTXQNPRXEO-QFIPXVFZSA-N 1 0 397.523 3.659 20 30 GHEDRO C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1=CC[N@H+](C)CC1 ZINC000568126767 897616904 /nfs/dbraw/zinc/61/69/04/897616904.db2.gz WLEVRCSTYBXPFH-KRWDZBQOSA-N 1 0 375.472 3.925 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3CC4(CCOCC4)[C@H]3c3ccccc3)o2)c1 ZINC000568365352 897784042 /nfs/dbraw/zinc/78/40/42/897784042.db2.gz SUIPBSSIVAQMTQ-OAQYLSRUSA-N 1 0 386.455 3.962 20 30 GHEDRO COc1cc(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000568527763 897912756 /nfs/dbraw/zinc/91/27/56/897912756.db2.gz ZHPWKVAQZOBPRR-FCHUYYIVSA-N 1 0 391.515 3.814 20 30 GHEDRO CC(C)O[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000568980215 898255942 /nfs/dbraw/zinc/25/59/42/898255942.db2.gz VREOVTVHYUCYEY-LSDHHAIUSA-N 1 0 375.538 3.572 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000569194416 898411956 /nfs/dbraw/zinc/41/19/56/898411956.db2.gz GQIMIKDFNZMLGV-UHFFFAOYSA-N 1 0 393.487 3.984 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000822613234 898499784 /nfs/dbraw/zinc/49/97/84/898499784.db2.gz ITKCLAWFBPOTHU-UHFFFAOYSA-N 1 0 380.463 3.622 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289604563 914260043 /nfs/dbraw/zinc/26/00/43/914260043.db2.gz ACVXSNHXJRTJHR-APWZRJJASA-N 1 0 391.475 3.836 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289604566 914260778 /nfs/dbraw/zinc/26/07/78/914260778.db2.gz ACVXSNHXJRTJHR-LPHOPBHVSA-N 1 0 391.475 3.836 20 30 GHEDRO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCc1ccc(F)cc1Cl ZINC001276331201 914265253 /nfs/dbraw/zinc/26/52/53/914265253.db2.gz YQAZMYLHWALEGL-FQEVSTJZSA-N 1 0 377.891 3.782 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@H]1C ZINC000569510858 898728843 /nfs/dbraw/zinc/72/88/43/898728843.db2.gz CNWOVCFNBITZKL-HZPDHXFCSA-N 1 0 379.464 3.692 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H](C)O1 ZINC000569586045 898808384 /nfs/dbraw/zinc/80/83/84/898808384.db2.gz QELIXUDIAKVGIR-QLFBSQMISA-N 1 0 375.538 3.572 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC001136669519 898841851 /nfs/dbraw/zinc/84/18/51/898841851.db2.gz GQFSAVDJJDZYJU-UHFFFAOYSA-N 1 0 387.268 3.698 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000823232210 898889724 /nfs/dbraw/zinc/88/97/24/898889724.db2.gz NCIXWDUGNDHULG-QFIPXVFZSA-N 1 0 391.515 3.610 20 30 GHEDRO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000043792537 898944566 /nfs/dbraw/zinc/94/45/66/898944566.db2.gz FTXQCFJKGCTMIM-OAQYLSRUSA-N 1 0 378.520 3.825 20 30 GHEDRO Cc1ccccc1COc1cccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1 ZINC000884137958 899041775 /nfs/dbraw/zinc/04/17/75/899041775.db2.gz ZOTPXVTYGFTELJ-KPRXVCGWSA-N 1 0 375.472 3.652 20 30 GHEDRO CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000805856341 899410733 /nfs/dbraw/zinc/41/07/33/899410733.db2.gz UJYJDRSDRSGROP-LJQANCHMSA-N 1 0 391.471 3.642 20 30 GHEDRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000824338936 899539075 /nfs/dbraw/zinc/53/90/75/899539075.db2.gz JKLSTVPDWDJLEO-SFHVURJKSA-N 1 0 386.540 3.736 20 30 GHEDRO COCC1(C[NH2+]C2CCC(C)(C#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000824349507 899546381 /nfs/dbraw/zinc/54/63/81/899546381.db2.gz ANQVDHPVNGJIQB-UHFFFAOYSA-N 1 0 379.545 3.712 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(OCC#N)cc2)cc(OC)c1OCC(F)F ZINC000289818336 914364581 /nfs/dbraw/zinc/36/45/81/914364581.db2.gz SNULANKSEVVABE-UHFFFAOYSA-N 1 0 392.402 3.540 20 30 GHEDRO C#CCN(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)[C@H]1CCc2ccccc21 ZINC000251492553 914368849 /nfs/dbraw/zinc/36/88/49/914368849.db2.gz IXQOCGMNBNSXTR-VGSWGCGISA-N 1 0 392.499 3.504 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884304789 899735712 /nfs/dbraw/zinc/73/57/12/899735712.db2.gz AVKAWHWBMWQQDZ-MUXOEYDSSA-N 1 0 389.499 3.621 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000571199979 899779744 /nfs/dbraw/zinc/77/97/44/899779744.db2.gz NKELBPFZSYUNDV-VQIMIIECSA-N 1 0 379.508 3.899 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC001136933660 899802659 /nfs/dbraw/zinc/80/26/59/899802659.db2.gz YOPODOGPKNUYCR-UHFFFAOYSA-N 1 0 380.435 3.551 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OCC(F)F)cc3)C2)CC1 ZINC001136933624 899803209 /nfs/dbraw/zinc/80/32/09/899803209.db2.gz XBGFOAYADBSKIN-UHFFFAOYSA-N 1 0 380.435 3.551 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)CC1 ZINC000332643970 899822991 /nfs/dbraw/zinc/82/29/91/899822991.db2.gz GXRYNUCFBOYEAS-HNNXBMFYSA-N 1 0 380.414 3.773 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C12CCCC2 ZINC000333038258 899911827 /nfs/dbraw/zinc/91/18/27/899911827.db2.gz BYTVEUXWVUWDGC-FSPWUOQZSA-N 1 0 387.549 3.763 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000571598921 899922831 /nfs/dbraw/zinc/92/28/31/899922831.db2.gz XBLRNRNKYKLZNF-KRWDZBQOSA-N 1 0 378.476 3.867 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000571598924 899923157 /nfs/dbraw/zinc/92/31/57/899923157.db2.gz XBLRNRNKYKLZNF-QGZVFWFLSA-N 1 0 378.476 3.867 20 30 GHEDRO Cc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C3(C2)CCOCC3)ccc1C#N ZINC000825025102 899942641 /nfs/dbraw/zinc/94/26/41/899942641.db2.gz YIQQCIFPRXQSCP-FQEVSTJZSA-N 1 0 399.535 3.620 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000121377468 900012797 /nfs/dbraw/zinc/01/27/97/900012797.db2.gz CUJGOHXGQHYIFD-UHFFFAOYSA-N 1 0 392.503 3.593 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000825160491 900021595 /nfs/dbraw/zinc/02/15/95/900021595.db2.gz RODFDZPWKUZEQD-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000333196987 900028641 /nfs/dbraw/zinc/02/86/41/900028641.db2.gz WLCWCKLREOSEAN-INIZCTEOSA-N 1 0 380.414 3.819 20 30 GHEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000333196988 900029233 /nfs/dbraw/zinc/02/92/33/900029233.db2.gz WLCWCKLREOSEAN-MRXNPFEDSA-N 1 0 380.414 3.819 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)on2)c1 ZINC000572089647 900064891 /nfs/dbraw/zinc/06/48/91/900064891.db2.gz RVFSWELDUQGKJJ-FQEVSTJZSA-N 1 0 386.455 3.608 20 30 GHEDRO Cc1nc(N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)ccc1C#N ZINC000884592321 900186137 /nfs/dbraw/zinc/18/61/37/900186137.db2.gz LROPCCIEIMOWSN-NRFANRHFSA-N 1 0 376.504 3.887 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)cc1OCC#N ZINC000135305206 900219953 /nfs/dbraw/zinc/21/99/53/900219953.db2.gz YJXAKDFBDBPTDR-KRWDZBQOSA-N 1 0 396.466 3.856 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135311833 900219995 /nfs/dbraw/zinc/21/99/95/900219995.db2.gz RVHRXLQFXQUKOY-GJZGRUSLSA-N 1 0 376.476 3.606 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000135318822 900220789 /nfs/dbraw/zinc/22/07/89/900220789.db2.gz LWFJPKBXJGQEGB-APWZRJJASA-N 1 0 396.466 3.903 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157465234 900545074 /nfs/dbraw/zinc/54/50/74/900545074.db2.gz UHTBEVLYIRZKKJ-QHCPKHFHSA-N 1 0 376.504 3.754 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000844193555 900573719 /nfs/dbraw/zinc/57/37/19/900573719.db2.gz HODJQFXXCJJZJW-GHBUNDROSA-N 1 0 398.466 3.546 20 30 GHEDRO COc1cc(C[N@H+](C[C@H](O)CC2(C#N)CCC2)C2CC2)ccc1OC(F)F ZINC000885932801 900644143 /nfs/dbraw/zinc/64/41/43/900644143.db2.gz CHQKPYUTYUCEKN-MRXNPFEDSA-N 1 0 380.435 3.706 20 30 GHEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000844355542 900760343 /nfs/dbraw/zinc/76/03/43/900760343.db2.gz PGHBODROHHYRSR-QGZVFWFLSA-N 1 0 387.524 3.967 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(F)ccc(OCC)c1F)CC2 ZINC001143937928 900785385 /nfs/dbraw/zinc/78/53/85/900785385.db2.gz FLZXAGGNKCPMQN-NRFANRHFSA-N 1 0 378.463 3.897 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000574349268 900855258 /nfs/dbraw/zinc/85/52/58/900855258.db2.gz KKBJGFXJHNIEOF-SIKLNZKXSA-N 1 0 381.545 3.938 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC000844465065 900897779 /nfs/dbraw/zinc/89/77/79/900897779.db2.gz YIJLAZHTGAKVBG-NJYVYQBISA-N 1 0 399.535 3.985 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)CCC1 ZINC000886290803 900919223 /nfs/dbraw/zinc/91/92/23/900919223.db2.gz OGIWHPNDMUHCCM-FQEVSTJZSA-N 1 0 394.494 3.907 20 30 GHEDRO COc1ccc(C([NH2+]C[C@@H](O)CC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000886307049 900929229 /nfs/dbraw/zinc/92/92/29/900929229.db2.gz ITVOXPZUXGTNLH-IBGZPJMESA-N 1 0 380.488 3.828 20 30 GHEDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000575034251 901097654 /nfs/dbraw/zinc/09/76/54/901097654.db2.gz CJDODBMBDWBSHM-OAQYLSRUSA-N 1 0 389.565 3.702 20 30 GHEDRO C=CCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000575220361 901163597 /nfs/dbraw/zinc/16/35/97/901163597.db2.gz ALXKUNRGHBDCMN-UHFFFAOYSA-N 1 0 392.551 3.637 20 30 GHEDRO C#CCN(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CC[NH+](C)CC1 ZINC000886583109 901176713 /nfs/dbraw/zinc/17/67/13/901176713.db2.gz BJDZLNDYRMSWNK-UHFFFAOYSA-N 1 0 379.938 3.695 20 30 GHEDRO C#CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C1CC[NH+](C)CC1 ZINC000886587128 901180330 /nfs/dbraw/zinc/18/03/30/901180330.db2.gz HZVLTBGVIMRERA-UHFFFAOYSA-N 1 0 387.936 3.562 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C ZINC001144203568 901282066 /nfs/dbraw/zinc/28/20/66/901282066.db2.gz BNRXACKKBGZTBG-AVRDEDQJSA-N 1 0 393.572 3.591 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)c1ccc(Br)s1)C(C)C ZINC001144204284 901283216 /nfs/dbraw/zinc/28/32/16/901283216.db2.gz NEFJHNKATHUEJO-ZDUSSCGKSA-N 1 0 399.354 3.508 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cccc(C#N)c1 ZINC000290127760 914536464 /nfs/dbraw/zinc/53/64/64/914536464.db2.gz LJKBSNWABZUXSM-IIBYNOLFSA-N 1 0 375.472 3.569 20 30 GHEDRO [NH3+]CC(F)(F)Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000844915668 901525017 /nfs/dbraw/zinc/52/50/17/901525017.db2.gz QKWHAVXMMFWEHI-UHFFFAOYSA-N 1 0 375.219 3.911 20 30 GHEDRO N#CCOc1cccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000887241811 901621100 /nfs/dbraw/zinc/62/11/00/901621100.db2.gz GKWFSOWRULTHRV-VQTJNVASSA-N 1 0 390.487 3.575 20 30 GHEDRO Cn1c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1-c1ccccc1 ZINC000845004105 901636619 /nfs/dbraw/zinc/63/66/19/901636619.db2.gz WKJHOMAXPWLGAE-UHFFFAOYSA-N 1 0 398.510 3.958 20 30 GHEDRO Cc1cccc(C)c1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845062982 901757145 /nfs/dbraw/zinc/75/71/45/901757145.db2.gz SHYAKKHEZJKUSD-UHFFFAOYSA-N 1 0 376.504 3.639 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4ccc(Cl)cc43)C2=O)cc1 ZINC000576382087 901987808 /nfs/dbraw/zinc/98/78/08/901987808.db2.gz QXVYXDYAAVCXQF-RTWAWAEBSA-N 1 0 379.891 3.980 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000124254432 902044394 /nfs/dbraw/zinc/04/43/94/902044394.db2.gz PBKHJILMUNZULL-UWJYYQICSA-N 1 0 377.488 3.692 20 30 GHEDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000576607302 902127907 /nfs/dbraw/zinc/12/79/07/902127907.db2.gz JPYVDBYAQYLCSY-INIZCTEOSA-N 1 0 397.548 3.896 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](O)COc3ccccc3)c2)c1 ZINC000047700699 902298055 /nfs/dbraw/zinc/29/80/55/902298055.db2.gz IMFGFARBVUONOA-JOCHJYFZSA-N 1 0 388.467 3.667 20 30 GHEDRO CCC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)Cc1ccc(C#N)cc1 ZINC000047739910 902358438 /nfs/dbraw/zinc/35/84/38/902358438.db2.gz NQGUCASZFKYCQX-KRWDZBQOSA-N 1 0 395.503 3.665 20 30 GHEDRO CON(C[C@@H]1CCC[C@H](C)C1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845745693 902362066 /nfs/dbraw/zinc/36/20/66/902362066.db2.gz BSNAVZCYYJYXPT-AZUAARDMSA-N 1 0 398.551 3.922 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001171209037 902640850 /nfs/dbraw/zinc/64/08/50/902640850.db2.gz HJKRKAFENFZRBG-GOSISDBHSA-N 1 0 399.535 3.591 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC2CCOCC2)cc1 ZINC000263925483 902687190 /nfs/dbraw/zinc/68/71/90/902687190.db2.gz YOJHNIUENDUGFS-UHFFFAOYSA-O 1 0 383.537 3.607 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001171211903 902695246 /nfs/dbraw/zinc/69/52/46/902695246.db2.gz ITTRIMYBZHIRGX-CJOZULMCSA-N 1 0 393.531 3.694 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CC1 ZINC000600723452 902844864 /nfs/dbraw/zinc/84/48/64/902844864.db2.gz UPFYAADIBHGYQM-QFIPXVFZSA-N 1 0 386.499 3.743 20 30 GHEDRO CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000600724451 902846217 /nfs/dbraw/zinc/84/62/17/902846217.db2.gz UBFFMEYLMJHDNY-QGZVFWFLSA-N 1 0 384.442 3.644 20 30 GHEDRO Cc1ccc(C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)c2ccccn2)cc1 ZINC000600726412 902849316 /nfs/dbraw/zinc/84/93/16/902849316.db2.gz STUMLWARHHEXCY-GMAHTHKFSA-N 1 0 387.483 3.575 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+]CC2(C#N)CCCCC2)c(OC)cc1Cl ZINC000600760832 902882241 /nfs/dbraw/zinc/88/22/41/902882241.db2.gz HVRQLDKEHBXUKL-UHFFFAOYSA-N 1 0 379.888 3.749 20 30 GHEDRO Cc1cc(N2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)n(-c2ccccc2)n1 ZINC001171230054 903044641 /nfs/dbraw/zinc/04/46/41/903044641.db2.gz SDNMMLAEEDNVJI-HXUWFJFHSA-N 1 0 385.515 3.806 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001171232053 903044671 /nfs/dbraw/zinc/04/46/71/903044671.db2.gz PDISOXRUGGMDKD-LJQANCHMSA-N 1 0 383.499 3.768 20 30 GHEDRO COC(=O)c1cccc(C[NH2+]C2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171230494 903045769 /nfs/dbraw/zinc/04/57/69/903045769.db2.gz DXBITORLKQZLFD-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000264403673 903070391 /nfs/dbraw/zinc/07/03/91/903070391.db2.gz PPIUOZWKXFTRIS-UHFFFAOYSA-N 1 0 384.524 3.521 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccccc1 ZINC000131238416 903072283 /nfs/dbraw/zinc/07/22/83/903072283.db2.gz PHXGMRISIIXRAO-UHFFFAOYSA-O 1 0 385.578 3.744 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000264502926 903150139 /nfs/dbraw/zinc/15/01/39/903150139.db2.gz VZZDUUXLIFLWRB-QGZVFWFLSA-N 1 0 386.565 3.580 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1F ZINC000264574209 903210326 /nfs/dbraw/zinc/21/03/26/903210326.db2.gz SVZMXQGDHKFZTP-UHFFFAOYSA-N 1 0 395.478 3.565 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC000846856907 903275141 /nfs/dbraw/zinc/27/51/41/903275141.db2.gz FFRKSBGCYKNEMF-FXAWDEMLSA-N 1 0 382.451 3.544 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000601184400 903441217 /nfs/dbraw/zinc/44/12/17/903441217.db2.gz AOSQUOSFGBHSGY-UHFFFAOYSA-N 1 0 376.504 3.725 20 30 GHEDRO N#CC1(Nc2ncnc3ccc(Cl)nc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171274032 903464171 /nfs/dbraw/zinc/46/41/71/903464171.db2.gz LYWXCTPNGGXDHT-UHFFFAOYSA-N 1 0 378.867 3.648 20 30 GHEDRO CC(C)c1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc(N(C)C)n1 ZINC001171274987 903477605 /nfs/dbraw/zinc/47/76/05/903477605.db2.gz LYIRPJDBTOOTDW-UHFFFAOYSA-N 1 0 378.524 3.636 20 30 GHEDRO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001146230404 903480455 /nfs/dbraw/zinc/48/04/55/903480455.db2.gz OUKSOWZMOVSEKG-ULYRPOKDSA-N 1 0 385.508 3.591 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc21 ZINC000134944334 903598440 /nfs/dbraw/zinc/59/84/40/903598440.db2.gz UCVNPBWZRDGGGI-XMSQKQJNSA-N 1 0 390.531 3.686 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)ccc1OC ZINC000772979806 903744569 /nfs/dbraw/zinc/74/45/69/903744569.db2.gz NHLPBCNQPQAUAX-FXAWDEMLSA-N 1 0 395.503 3.907 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC(C2CC2)C2CC2)cc1 ZINC000265368182 903842448 /nfs/dbraw/zinc/84/24/48/903842448.db2.gz OAEUIKINJCOZHS-UHFFFAOYSA-O 1 0 394.564 3.757 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000772985761 903875846 /nfs/dbraw/zinc/87/58/46/903875846.db2.gz YFCWSVNCVQKFKB-BEFAXECRSA-N 1 0 396.447 3.783 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000772985767 903877183 /nfs/dbraw/zinc/87/71/83/903877183.db2.gz YHSFFBITSZJGHD-HOCLYGCPSA-N 1 0 386.883 3.923 20 30 GHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000578630505 904017796 /nfs/dbraw/zinc/01/77/96/904017796.db2.gz HKMVMZYMQJMLOJ-XGHQBKJUSA-N 1 0 393.487 3.533 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750528 904095625 /nfs/dbraw/zinc/09/56/25/904095625.db2.gz PSJXMENRJQHCKK-NRFANRHFSA-N 1 0 377.488 3.800 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171332806 904100861 /nfs/dbraw/zinc/10/08/61/904100861.db2.gz ISIGYNJEWKACQG-HUUCEWRRSA-N 1 0 378.900 3.583 20 30 GHEDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000779122785 904369748 /nfs/dbraw/zinc/36/97/48/904369748.db2.gz SAKXLDQYBNDSSY-UHFFFAOYSA-N 1 0 395.503 3.934 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1C#N ZINC000773083145 904416652 /nfs/dbraw/zinc/41/66/52/904416652.db2.gz KOEDLZUGWLMKPK-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000773107806 904440379 /nfs/dbraw/zinc/44/03/79/904440379.db2.gz NTCUOHRQRGCDAY-LRQRDZAKSA-N 1 0 375.896 3.953 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171401462 904507002 /nfs/dbraw/zinc/50/70/02/904507002.db2.gz WHWNAILMSOMWAF-GFCCVEGCSA-N 1 0 395.806 3.526 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000579627329 904752780 /nfs/dbraw/zinc/75/27/80/904752780.db2.gz VSAGYGGWEHTAIH-YCRPNKLZSA-N 1 0 383.517 3.537 20 30 GHEDRO COC(=O)C1(Nc2nc(C)cc(Cl)c2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171503686 904780354 /nfs/dbraw/zinc/78/03/54/904780354.db2.gz MDFZPJCRZIEHTL-UHFFFAOYSA-N 1 0 398.894 3.535 20 30 GHEDRO C=CCCC[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000889934271 904848345 /nfs/dbraw/zinc/84/83/45/904848345.db2.gz OZNZADYKAXDMTB-PUHATCMVSA-N 1 0 398.595 3.751 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000188117894 904874221 /nfs/dbraw/zinc/87/42/21/904874221.db2.gz MKDYXZMPWOUXTB-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)c1cnn(CCC#N)c1C)c1ccc(Cl)cc1 ZINC000890501645 905078664 /nfs/dbraw/zinc/07/86/64/905078664.db2.gz DWLGTBFWFNVGEY-LJQANCHMSA-N 1 0 387.915 3.572 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)CC12CCC2 ZINC001171840165 905090389 /nfs/dbraw/zinc/09/03/89/905090389.db2.gz YNBVHXCDXQDGRS-GOSISDBHSA-N 1 0 385.508 3.849 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)C2 ZINC001171952639 905159209 /nfs/dbraw/zinc/15/92/09/905159209.db2.gz UXZDYFXEAPIYAI-UDJZJCJKSA-N 1 0 376.541 3.532 20 30 GHEDRO COC(=O)c1ccc(C(=NO)N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171963904 905171509 /nfs/dbraw/zinc/17/15/09/905171509.db2.gz FSVVHAJDLNEKTO-HXUWFJFHSA-N 1 0 395.503 3.642 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990723 905201065 /nfs/dbraw/zinc/20/10/65/905201065.db2.gz NFGAHYRHRUDGFR-SFTDATJTSA-N 1 0 385.552 3.806 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171980314 905230869 /nfs/dbraw/zinc/23/08/69/905230869.db2.gz IESJVUVXTZDDMQ-RCZVLFRGSA-N 1 0 395.591 3.930 20 30 GHEDRO CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174395930 905265164 /nfs/dbraw/zinc/26/51/64/905265164.db2.gz MJETYRDVNUCTDJ-HXUWFJFHSA-N 1 0 387.487 3.562 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000174445587 905273524 /nfs/dbraw/zinc/27/35/24/905273524.db2.gz VMAPRCISDSCWJV-UHFFFAOYSA-N 1 0 387.505 3.697 20 30 GHEDRO CC(C)(C#N)CCC[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000174812955 905357849 /nfs/dbraw/zinc/35/78/49/905357849.db2.gz UWMZKHKVNHUZIS-UHFFFAOYSA-N 1 0 387.553 3.678 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001172303611 905457437 /nfs/dbraw/zinc/45/74/37/905457437.db2.gz FGJQEJUGFQVUMB-YADARESESA-N 1 0 388.515 3.541 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001172316982 905471180 /nfs/dbraw/zinc/47/11/80/905471180.db2.gz ZMBJQXOGLAFOGM-SFHVURJKSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)CC1 ZINC001172299445 905483955 /nfs/dbraw/zinc/48/39/55/905483955.db2.gz KUNQRINJBVQAHH-SSKFGXFMSA-N 1 0 379.479 3.959 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(C(=O)c2ccccc2F)CC1 ZINC001172297648 905484486 /nfs/dbraw/zinc/48/44/86/905484486.db2.gz GVEQIVLFOFYRBN-QGZVFWFLSA-N 1 0 379.479 3.770 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cnn(C)c1 ZINC001172355573 905524356 /nfs/dbraw/zinc/52/43/56/905524356.db2.gz CSSKEPNFLGQDMJ-ZLNRFVROSA-N 1 0 390.616 3.877 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001172354507 905525012 /nfs/dbraw/zinc/52/50/12/905525012.db2.gz IJPALYVCIQHTTI-IFMALSPDSA-N 1 0 390.572 3.523 20 30 GHEDRO CCOCC[C@H](C)[NH2+]CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001172416692 905535559 /nfs/dbraw/zinc/53/55/59/905535559.db2.gz OSIDCXOGGSIYTC-IBGZPJMESA-N 1 0 376.500 3.728 20 30 GHEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001172505765 905601770 /nfs/dbraw/zinc/60/17/70/905601770.db2.gz UNGRARSCFSKOHG-XRXFAXGQSA-N 1 0 380.573 3.606 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC001172510149 905603680 /nfs/dbraw/zinc/60/36/80/905603680.db2.gz WHQMIYUJFAVFII-AWEZNQCLSA-N 1 0 378.314 3.726 20 30 GHEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001172511260 905605661 /nfs/dbraw/zinc/60/56/61/905605661.db2.gz PJEBBVUYBDSKRJ-SIKLNZKXSA-N 1 0 379.589 3.719 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172630896 905692742 /nfs/dbraw/zinc/69/27/42/905692742.db2.gz CRBYNZTZROHLSP-ZWKOTPCHSA-N 1 0 381.561 3.617 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172630894 905693141 /nfs/dbraw/zinc/69/31/41/905693141.db2.gz CRBYNZTZROHLSP-QZTJIDSGSA-N 1 0 381.561 3.617 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000176011110 905726478 /nfs/dbraw/zinc/72/64/78/905726478.db2.gz OSOYLWRZWZLODO-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CCN(Cc4ccccc4)C(=O)C3)C2)c1 ZINC001172682747 905734156 /nfs/dbraw/zinc/73/41/56/905734156.db2.gz RCAUFDBTKQODSS-JTHBVZDNSA-N 1 0 389.499 3.593 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1 ZINC000176244289 905793255 /nfs/dbraw/zinc/79/32/55/905793255.db2.gz NBXQRPXGJKUOBT-UHFFFAOYSA-N 1 0 384.505 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C[C@H]1C#N ZINC001172966093 906026958 /nfs/dbraw/zinc/02/69/58/906026958.db2.gz MDRDIVIGEURNPC-HLLBOEOZSA-N 1 0 375.444 3.531 20 30 GHEDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172966924 906027829 /nfs/dbraw/zinc/02/78/29/906027829.db2.gz RDYBHLBHJDMGNI-MSOLQXFVSA-N 1 0 382.508 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2ccc(Cl)cc2)C[C@H]1C#N ZINC001172966190 906028350 /nfs/dbraw/zinc/02/83/50/906028350.db2.gz NACLHVOZMUENHB-CVEARBPZSA-N 1 0 379.888 3.600 20 30 GHEDRO C[NH+](C)CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172972399 906034713 /nfs/dbraw/zinc/03/47/13/906034713.db2.gz YBTSAUMBQAMZBR-HSALFYBXSA-N 1 0 386.540 3.561 20 30 GHEDRO CSc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172973222 906037224 /nfs/dbraw/zinc/03/72/24/906037224.db2.gz BESPTFDBECMDHR-CVEARBPZSA-N 1 0 391.537 3.669 20 30 GHEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976027 906040086 /nfs/dbraw/zinc/04/00/86/906040086.db2.gz KXQGSIYQKRKMLZ-JENIJYKNSA-N 1 0 384.524 3.887 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)C[C@H]1C#N ZINC001172983472 906049319 /nfs/dbraw/zinc/04/93/19/906049319.db2.gz GCMWIPIYMBNCAC-ZIFCJYIRSA-N 1 0 389.471 3.570 20 30 GHEDRO C[N@H+](Cc1cccc2cccnc21)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986191 906051365 /nfs/dbraw/zinc/05/13/65/906051365.db2.gz UXNWYQKKIFIXJP-MOPGFXCFSA-N 1 0 380.492 3.958 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1F ZINC001173007258 906081996 /nfs/dbraw/zinc/08/19/96/906081996.db2.gz GUZGSLKZCCFVTE-UHFFFAOYSA-N 1 0 390.365 3.642 20 30 GHEDRO N#Cc1ccc(CC[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001173011877 906090088 /nfs/dbraw/zinc/09/00/88/906090088.db2.gz MUUVICAYFAYPFV-UHFFFAOYSA-N 1 0 386.402 3.546 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991172 906102038 /nfs/dbraw/zinc/10/20/38/906102038.db2.gz VREOUZUYJWQWHI-NEWSRXKRSA-N 1 0 387.524 3.850 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)C[C@H]1C#N ZINC001172994486 906105347 /nfs/dbraw/zinc/10/53/47/906105347.db2.gz WDBOVTZKFBOMDN-LNLFQRSKSA-N 1 0 389.471 3.570 20 30 GHEDRO C=CCOCc1nn([C@@H](C)Cc2ccc(OC(F)(F)F)cc2)c2c1C[NH2+]C2 ZINC001173078982 906177324 /nfs/dbraw/zinc/17/73/24/906177324.db2.gz HYEPJRKACKWFRD-ZDUSSCGKSA-N 1 0 381.398 3.891 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)CC1 ZINC001173321428 906370325 /nfs/dbraw/zinc/37/03/25/906370325.db2.gz LSVDBAZSTPOGRW-UHFFFAOYSA-N 1 0 389.565 3.585 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CC1 ZINC001173321889 906370919 /nfs/dbraw/zinc/37/09/19/906370919.db2.gz RJLJRUXEFXXSMM-UHFFFAOYSA-N 1 0 394.556 3.602 20 30 GHEDRO COc1cccc(CN2CC[C@@]3(CC[N@@H+](C4CCC(CC#N)CC4)C3)C2=O)c1 ZINC001173332828 906375389 /nfs/dbraw/zinc/37/53/89/906375389.db2.gz GYAKWDZBYVSLMQ-PXLSRWGNSA-N 1 0 381.520 3.592 20 30 GHEDRO COCCC1([NH2+]C2CCC(CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001173334188 906377810 /nfs/dbraw/zinc/37/78/10/906377810.db2.gz UEKSSZSZQSIPCV-UHFFFAOYSA-N 1 0 379.545 3.855 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)CC1 ZINC001173335409 906379475 /nfs/dbraw/zinc/37/94/75/906379475.db2.gz LKDZJZMAOIYGFU-AJTFCVKESA-N 1 0 386.515 3.612 20 30 GHEDRO N#CCC1CCC([N@H+]2CCc3nc(C(=O)Nc4cccnc4)sc3CC2)CC1 ZINC001173335911 906379630 /nfs/dbraw/zinc/37/96/30/906379630.db2.gz HEHQFQPZSRWCBN-UHFFFAOYSA-N 1 0 395.532 3.663 20 30 GHEDRO C=CCOC1CCC([NH2+]Cc2ccc(Br)cc2C(=O)OC)CC1 ZINC001173314192 906387132 /nfs/dbraw/zinc/38/71/32/906387132.db2.gz LPUCYOJHZYHJMQ-UHFFFAOYSA-N 1 0 382.298 3.839 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC001173317283 906389313 /nfs/dbraw/zinc/38/93/13/906389313.db2.gz UHJHNOWOMQOFQO-WIXQSORDSA-N 1 0 378.944 3.817 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH+]2CCC(S)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC001173378814 906410729 /nfs/dbraw/zinc/41/07/29/906410729.db2.gz LYIPYBFKUVSEOY-USXIJHARSA-N 1 0 399.597 3.849 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173425756 906461535 /nfs/dbraw/zinc/46/15/35/906461535.db2.gz IQYIDQYLGDDWPN-LJQANCHMSA-N 1 0 391.515 3.837 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC001173426355 906461873 /nfs/dbraw/zinc/46/18/73/906461873.db2.gz WUPQFWUECSXLCQ-DEOSSOPVSA-N 1 0 396.494 3.937 20 30 GHEDRO CCOc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173427870 906463046 /nfs/dbraw/zinc/46/30/46/906463046.db2.gz DAYRRUUMSMGKBB-KRWDZBQOSA-N 1 0 377.488 3.912 20 30 GHEDRO C=CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000190977574 906499588 /nfs/dbraw/zinc/49/95/88/906499588.db2.gz QSPMEQSVBWQHOM-XZOQPEGZSA-N 1 0 378.516 3.754 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCCC[C@H]2[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173586665 906545261 /nfs/dbraw/zinc/54/52/61/906545261.db2.gz DIVUDALILJVYJV-KVCCMIQPSA-N 1 0 391.556 3.997 20 30 GHEDRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)OC(C)(C)O1 ZINC001173588730 906545433 /nfs/dbraw/zinc/54/54/33/906545433.db2.gz QFMRXQRISFVTCS-NHUHVJRWSA-N 1 0 380.529 3.690 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@H](C[NH2+]C3CCC(C)(C#N)CC3)O2)CC1 ZINC001173587237 906545631 /nfs/dbraw/zinc/54/56/31/906545631.db2.gz TYYVSMBRBPTBCU-IDYZSHNDSA-N 1 0 391.556 3.997 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+]2C1CCC(C)(C#N)CC1 ZINC001173594190 906546439 /nfs/dbraw/zinc/54/64/39/906546439.db2.gz UXKTWJAFOZUENU-UHFFFAOYSA-N 1 0 377.529 3.561 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCOCC3)C2)CC1 ZINC001173594743 906546730 /nfs/dbraw/zinc/54/67/30/906546730.db2.gz LHOCSSNWUYWYPR-LPIJFZEYSA-N 1 0 390.568 3.773 20 30 GHEDRO CCn1ncc2c1C[N@@H+](C1CCC(C)(C#N)CC1)C[C@H]2COc1cccnc1 ZINC001173595288 906548205 /nfs/dbraw/zinc/54/82/05/906548205.db2.gz NTGFROUCQKECJO-LYGNXSNRSA-N 1 0 379.508 3.749 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)CC2 ZINC001173624355 906573353 /nfs/dbraw/zinc/57/33/53/906573353.db2.gz WGOWZNZSXBCYDQ-VRCACPIISA-N 1 0 382.504 3.913 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179781255 906597139 /nfs/dbraw/zinc/59/71/39/906597139.db2.gz PDDLAHWNOHRVLH-HNNXBMFYSA-N 1 0 379.460 3.645 20 30 GHEDRO COc1cc(Nc2cccc(C)c2)c(C#N)cc1OCCCN1CCOCC1 ZINC001173811018 906718728 /nfs/dbraw/zinc/71/87/28/906718728.db2.gz QVYFJZUETXWZQI-UHFFFAOYSA-N 1 0 381.476 3.720 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000180391418 906758179 /nfs/dbraw/zinc/75/81/79/906758179.db2.gz LPGVBXCXEOZURY-UHFFFAOYSA-N 1 0 380.439 3.745 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000180428489 906767942 /nfs/dbraw/zinc/76/79/42/906767942.db2.gz LOUMMYNGSRMADT-UHFFFAOYSA-N 1 0 384.430 3.610 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000191360710 906912092 /nfs/dbraw/zinc/91/20/92/906912092.db2.gz GGOSHKKPFFCCPY-SIKLNZKXSA-N 1 0 399.498 3.683 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 ZINC000191411514 906961450 /nfs/dbraw/zinc/96/14/50/906961450.db2.gz IEIHXMFFYKOYDR-UHFFFAOYSA-N 1 0 390.447 3.753 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 ZINC000182008690 907114753 /nfs/dbraw/zinc/11/47/53/907114753.db2.gz HBASVVQIZRFUFB-YOEHRIQHSA-N 1 0 394.393 3.698 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000182534795 907223751 /nfs/dbraw/zinc/22/37/51/907223751.db2.gz IZBRPJULLUUDAF-SFHVURJKSA-N 1 0 392.503 3.859 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccc(CC)cc1 ZINC000299378854 921306313 /nfs/dbraw/zinc/30/63/13/921306313.db2.gz MXAUSDHVSBADPV-UHFFFAOYSA-O 1 0 383.537 3.895 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)cc1 ZINC001174844515 907250545 /nfs/dbraw/zinc/25/05/45/907250545.db2.gz YFYFKJOYQQBJDS-NRFANRHFSA-N 1 0 379.479 3.674 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000192058549 907379084 /nfs/dbraw/zinc/37/90/84/907379084.db2.gz UGZJFPDQMFBUMO-WMZOPIPTSA-N 1 0 389.908 3.948 20 30 GHEDRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192242528 907557792 /nfs/dbraw/zinc/55/77/92/907557792.db2.gz DLQUBXUKJFBHGC-LJQANCHMSA-N 1 0 398.304 3.520 20 30 GHEDRO N#CCc1ccccc1CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000777408219 907647172 /nfs/dbraw/zinc/64/71/72/907647172.db2.gz IRVRQRKNAZAMFZ-UHFFFAOYSA-N 1 0 377.488 3.799 20 30 GHEDRO N#Cc1cnn(-c2ccccn2)c1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175796262 907751519 /nfs/dbraw/zinc/75/15/19/907751519.db2.gz HDDBTKAIFVRWKS-UHFFFAOYSA-N 1 0 388.475 3.747 20 30 GHEDRO C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742355 907828924 /nfs/dbraw/zinc/82/89/24/907828924.db2.gz UMEOHFFGACTMAX-AABGKKOBSA-N 1 0 382.552 3.564 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000192913433 908009039 /nfs/dbraw/zinc/00/90/39/908009039.db2.gz GBPTWDVDYZEEMV-GOSISDBHSA-N 1 0 390.409 3.785 20 30 GHEDRO C=CCCCC[NH+]1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC001176776978 908246457 /nfs/dbraw/zinc/24/64/57/908246457.db2.gz FPPBGZYRCLCNTJ-IBGZPJMESA-N 1 0 381.358 3.631 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)C1 ZINC001176932510 908306972 /nfs/dbraw/zinc/30/69/72/908306972.db2.gz LXLPRVFCUWIINH-REWPJTCUSA-N 1 0 399.535 3.847 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3([C@@H]4CCCO4)CCC3)sc2C1 ZINC001176940869 908309447 /nfs/dbraw/zinc/30/94/47/908309447.db2.gz WASPNKZJZMWLBW-KSSFIOAISA-N 1 0 387.549 3.764 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]2(CO)c2ccccc2)cc1C ZINC001176958002 908326560 /nfs/dbraw/zinc/32/65/60/908326560.db2.gz DWJXNZKYTDXSLW-DEOSSOPVSA-N 1 0 391.515 3.534 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]2(CO)c2ccccc2)cc1C ZINC001176958006 908326879 /nfs/dbraw/zinc/32/68/79/908326879.db2.gz DWJXNZKYTDXSLW-XMMPIXPASA-N 1 0 391.515 3.534 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]2(CO)c2ccccc2)cc1Cl ZINC001176960165 908328505 /nfs/dbraw/zinc/32/85/05/908328505.db2.gz VIMYUTIFMALYKD-NRFANRHFSA-N 1 0 383.879 3.524 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CCc2ccccc2C1 ZINC001177580468 908650297 /nfs/dbraw/zinc/65/02/97/908650297.db2.gz GLRFXEYLPWLQAJ-HNNXBMFYSA-N 1 0 384.321 3.857 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000191814405 908677391 /nfs/dbraw/zinc/67/73/91/908677391.db2.gz NEXDHPGZBMTELM-AWEZNQCLSA-N 1 0 386.297 3.627 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634374822 908695350 /nfs/dbraw/zinc/69/53/50/908695350.db2.gz FAIHKBJEGOMHDH-QGZVFWFLSA-N 1 0 375.586 3.877 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634378147 908696505 /nfs/dbraw/zinc/69/65/05/908696505.db2.gz HIPKYTRLZSAFQN-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](C#N)Cc1cccs1 ZINC001177917740 908802192 /nfs/dbraw/zinc/80/21/92/908802192.db2.gz LZBOMXBXJJLLPC-ICSRJNTNSA-N 1 0 381.545 3.847 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2OCC#N)CC1 ZINC000194118106 908859003 /nfs/dbraw/zinc/85/90/03/908859003.db2.gz DDGOOGDEBBQNAA-UHFFFAOYSA-N 1 0 398.894 3.637 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1ccccc1OCC#N)[NH+]1CCCCC1 ZINC000194182083 908864302 /nfs/dbraw/zinc/86/43/02/908864302.db2.gz GPWKFIHNYCGVGI-HXUWFJFHSA-N 1 0 393.487 3.555 20 30 GHEDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cc(C#N)ccc1Br ZINC001178272128 908977420 /nfs/dbraw/zinc/97/74/20/908977420.db2.gz DYPZTHOERBOWFU-GFCCVEGCSA-N 1 0 382.302 3.571 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001178584518 909107225 /nfs/dbraw/zinc/10/72/25/909107225.db2.gz JRALQVKMSHTMIP-YLJYHZDGSA-N 1 0 375.900 3.686 20 30 GHEDRO C[C@H]1CCN(C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000266426160 909149348 /nfs/dbraw/zinc/14/93/48/909149348.db2.gz WSKRLVUXRUYORP-SFHVURJKSA-N 1 0 378.476 3.717 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cccnc3Br)CC2)C1=O ZINC001276025155 921471290 /nfs/dbraw/zinc/47/12/90/921471290.db2.gz LEUWHRHUSQUTFA-LJQANCHMSA-N 1 0 392.341 3.625 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000266451770 909170621 /nfs/dbraw/zinc/17/06/21/909170621.db2.gz JRRYIJVOBFCXPU-DLBZAZTESA-N 1 0 376.460 3.553 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)CC1 ZINC000267031830 909370607 /nfs/dbraw/zinc/37/06/07/909370607.db2.gz BGNWKOYUXBPVTL-NRFANRHFSA-N 1 0 378.520 3.626 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001179295011 909453115 /nfs/dbraw/zinc/45/31/15/909453115.db2.gz IVHURLKBBHVPKU-PBHICJAKSA-N 1 0 378.900 3.840 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001179419294 909530696 /nfs/dbraw/zinc/53/06/96/909530696.db2.gz KIAOABMRIXSPBL-IBGZPJMESA-N 1 0 378.426 3.896 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000795335094 909964138 /nfs/dbraw/zinc/96/41/38/909964138.db2.gz UJKJLJSEJCLMNS-WIYYLYMNSA-N 1 0 377.463 3.685 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001180183401 909979397 /nfs/dbraw/zinc/97/93/97/909979397.db2.gz CQKWATPOBRBOSP-UHFFFAOYSA-N 1 0 391.515 3.933 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000269170315 910170340 /nfs/dbraw/zinc/17/03/40/910170340.db2.gz XHELLJIIWIZIEQ-UHFFFAOYSA-N 1 0 384.480 3.948 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001180820298 910388068 /nfs/dbraw/zinc/38/80/68/910388068.db2.gz MOCAIFUKDGRYMD-MRXNPFEDSA-N 1 0 377.414 3.677 20 30 GHEDRO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F ZINC001181347494 910742172 /nfs/dbraw/zinc/74/21/72/910742172.db2.gz YVJOYGZLLRXECP-RYQLBKOJSA-N 1 0 377.479 3.833 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1CCC#N ZINC000271202974 910815463 /nfs/dbraw/zinc/81/54/63/910815463.db2.gz WVALCQVKXIJVPL-QGZVFWFLSA-N 1 0 394.523 3.659 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)CC2(CCOCC2)C1 ZINC000720238310 911102885 /nfs/dbraw/zinc/10/28/85/911102885.db2.gz PGFXVAPCMISBBW-OAHLLOKOSA-N 1 0 391.537 3.516 20 30 GHEDRO COCc1ccc(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001182198681 911269216 /nfs/dbraw/zinc/26/92/16/911269216.db2.gz IYWDZZWHWLJMIA-YHBQERECSA-N 1 0 391.515 3.546 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N(CCC#N)Cc2cccnc2)C1 ZINC001182321133 911480281 /nfs/dbraw/zinc/48/02/81/911480281.db2.gz IFXRRUWFNFDRDY-JOCHJYFZSA-N 1 0 376.504 3.545 20 30 GHEDRO N#Cc1cccc(CCC(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001182340387 911510467 /nfs/dbraw/zinc/51/04/67/911510467.db2.gz LRQAGMGAZPRUBH-DNQXCXABSA-N 1 0 387.527 3.861 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000092480645 911564826 /nfs/dbraw/zinc/56/48/26/911564826.db2.gz RBUIRNKCBLVZEL-UHFFFAOYSA-N 1 0 391.519 3.823 20 30 GHEDRO N#Cc1c(N)sc(C[N@@H+]2CCCC[C@]23CC(=O)N(C2CCCC2)C3)c1Cl ZINC001275014506 912146463 /nfs/dbraw/zinc/14/64/63/912146463.db2.gz MISUIVNEAHMWGE-LJQANCHMSA-N 1 0 392.956 3.755 20 30 GHEDRO N#Cc1ccccc1NC(=S)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000774564133 912159457 /nfs/dbraw/zinc/15/94/57/912159457.db2.gz FSUXOWCHRPBZIL-UHFFFAOYSA-N 1 0 394.544 3.562 20 30 GHEDRO C[C@H]1[C@@H](CC(=O)Nc2cnc(C#N)cn2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186934462 914882637 /nfs/dbraw/zinc/88/26/37/914882637.db2.gz DODSYEKXXBSYOV-PXNSSMCTSA-N 1 0 397.482 3.787 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[NH+]1CCC(C)CC1 ZINC000303600820 914999549 /nfs/dbraw/zinc/99/95/49/914999549.db2.gz VBKDEOIHTBDYIT-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C[NH+]1CCCCC1 ZINC000303641496 915031464 /nfs/dbraw/zinc/03/14/64/915031464.db2.gz RBTPJRXBDVWPQX-IBGZPJMESA-N 1 0 391.515 3.989 20 30 GHEDRO N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(Br)cc1 ZINC001275590790 915101752 /nfs/dbraw/zinc/10/17/52/915101752.db2.gz YXWPSGKRVSDXRU-LJQANCHMSA-N 1 0 390.325 3.710 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000647403283 915207041 /nfs/dbraw/zinc/20/70/41/915207041.db2.gz HCXJCXDYGHYFDN-QUCCMNQESA-N 1 0 389.588 3.695 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000303876836 915235351 /nfs/dbraw/zinc/23/53/51/915235351.db2.gz FBERHAFCYCENNR-MRXNPFEDSA-N 1 0 382.508 3.594 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000303878998 915237723 /nfs/dbraw/zinc/23/77/23/915237723.db2.gz JKPUNUPZGHFGML-MRXNPFEDSA-N 1 0 390.528 3.848 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cc(Br)cs3)CC2)C1=O ZINC001275610347 915292715 /nfs/dbraw/zinc/29/27/15/915292715.db2.gz DNNBMLFBUKTICX-UHFFFAOYSA-N 1 0 383.355 3.901 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NCc2cc3c(c(Br)c2)OCO3)c1 ZINC000303881005 915294852 /nfs/dbraw/zinc/29/48/52/915294852.db2.gz KMLBZQIXGMRJIT-UHFFFAOYSA-N 1 0 376.254 3.667 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCNc2nc3ccccc3s2)cc1Cl ZINC000303890117 915299550 /nfs/dbraw/zinc/29/95/50/915299550.db2.gz PXYDMLDKOKEYGW-UHFFFAOYSA-N 1 0 375.885 3.797 20 30 GHEDRO C[C@H](NC(=[NH2+])N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC000303900239 915303507 /nfs/dbraw/zinc/30/35/07/915303507.db2.gz WRFGJFNNMGPEEY-GXSJLCMTSA-N 1 0 383.245 3.595 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000303942010 915323204 /nfs/dbraw/zinc/32/32/04/915323204.db2.gz YPWNUHOOSYEUKL-KRWDZBQOSA-N 1 0 396.922 3.747 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCc2ccccc2OCCC(C)C)cc1OC ZINC000303973081 915342482 /nfs/dbraw/zinc/34/24/82/915342482.db2.gz GOTBWMFFSJMBTH-UHFFFAOYSA-N 1 0 385.508 3.733 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NCc2cc(OC)c(OC)cc2Br)c1 ZINC000303972529 915343005 /nfs/dbraw/zinc/34/30/05/915343005.db2.gz FWZQWYDUVVENQS-UHFFFAOYSA-N 1 0 392.297 3.956 20 30 GHEDRO COc1ccc(CCNC(=[NH+]Cc2ccccc2)N(C)C)cc1OC(F)F ZINC000303975492 915344845 /nfs/dbraw/zinc/34/48/45/915344845.db2.gz JBPDTWFNKSMUNP-UHFFFAOYSA-N 1 0 377.435 3.547 20 30 GHEDRO [NH2+]=C(NCCOc1ccccc1C(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000304738681 915669030 /nfs/dbraw/zinc/66/90/30/915669030.db2.gz AWLNYGLJNDNSFZ-UHFFFAOYSA-N 1 0 395.381 3.672 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000292872545 915882740 /nfs/dbraw/zinc/88/27/40/915882740.db2.gz SNZQUBHLVBEWGX-CXAGYDPISA-N 1 0 376.298 3.792 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Br)c3)C2)C1=O ZINC001275708745 916247270 /nfs/dbraw/zinc/24/72/70/916247270.db2.gz GSDZZIRBZNSSJP-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649710181 916350768 /nfs/dbraw/zinc/35/07/68/916350768.db2.gz PVHWJDIDJLGLAJ-GFCCVEGCSA-N 1 0 385.323 3.975 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000649830921 916460332 /nfs/dbraw/zinc/46/03/32/916460332.db2.gz NYPNDUCQKHGLTL-HXUWFJFHSA-N 1 0 395.572 3.762 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC001189268718 916526931 /nfs/dbraw/zinc/52/69/31/916526931.db2.gz NVVFSIILXNRUEK-UHFFFAOYSA-N 1 0 394.519 3.890 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC001189268051 916526974 /nfs/dbraw/zinc/52/69/74/916526974.db2.gz RGCGHDKWQDVJGY-UHFFFAOYSA-N 1 0 385.552 3.851 20 30 GHEDRO Cc1ccccc1[C@H](O)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000796409751 916625158 /nfs/dbraw/zinc/62/51/58/916625158.db2.gz VZEOYCCCSIWYQV-HXUWFJFHSA-N 1 0 383.517 3.702 20 30 GHEDRO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CCc1cccc(Br)c1)CC2 ZINC001275751559 916873980 /nfs/dbraw/zinc/87/39/80/916873980.db2.gz BAPPUFILSIDFFR-GOSISDBHSA-N 1 0 391.353 3.786 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000362032321 917043241 /nfs/dbraw/zinc/04/32/41/917043241.db2.gz KWGUBQGZEMRDAZ-IBGZPJMESA-N 1 0 378.605 3.569 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)c(OCCC)c(OC)c1)[C@H]1CCCO1 ZINC000775343632 917071411 /nfs/dbraw/zinc/07/14/11/917071411.db2.gz XAUXWRIFIBFMAB-JKSUJKDBSA-N 1 0 382.298 3.517 20 30 GHEDRO COc1ccc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(Cl)n1 ZINC001190102675 917097032 /nfs/dbraw/zinc/09/70/32/917097032.db2.gz GWKNJSKNWRCSFV-QAQDUYKDSA-N 1 0 398.894 3.528 20 30 GHEDRO C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@H](O)c1ccccc1Br ZINC000295445443 917315231 /nfs/dbraw/zinc/31/52/31/917315231.db2.gz WXJSFXVNOFEKMS-SFHVURJKSA-N 1 0 375.266 3.517 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000775394992 917387750 /nfs/dbraw/zinc/38/77/50/917387750.db2.gz RREKRHCRIBPSJT-OALUTQOASA-N 1 0 384.863 3.683 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775397742 917412106 /nfs/dbraw/zinc/41/21/06/917412106.db2.gz AVEAWDYNQFAQQP-IBGZPJMESA-N 1 0 390.405 3.555 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)ccc1F ZINC000796466546 917561259 /nfs/dbraw/zinc/56/12/59/917561259.db2.gz RDBYSJVHTFDXLN-IBGZPJMESA-N 1 0 381.451 3.836 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001191367300 917968905 /nfs/dbraw/zinc/96/89/05/917968905.db2.gz MHSBUYHLTRNHHD-YLJYHZDGSA-N 1 0 387.524 3.952 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 ZINC000775462652 918038702 /nfs/dbraw/zinc/03/87/02/918038702.db2.gz BRNZJAHTGATCRZ-KRWDZBQOSA-N 1 0 397.544 3.961 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1OC ZINC000296420602 918251720 /nfs/dbraw/zinc/25/17/20/918251720.db2.gz LQDSUJRIPDOUCT-IRXDYDNUSA-N 1 0 388.512 3.620 20 30 GHEDRO C=CCCn1cc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nn1 ZINC000653491379 918260282 /nfs/dbraw/zinc/26/02/82/918260282.db2.gz WLMRBTVEEQJSTG-UHFFFAOYSA-N 1 0 393.457 3.581 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001192256266 918541494 /nfs/dbraw/zinc/54/14/94/918541494.db2.gz OLVHWFPJSBAPAZ-NHCUHLMSSA-N 1 0 389.499 3.551 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)C1 ZINC000297331256 919248925 /nfs/dbraw/zinc/24/89/25/919248925.db2.gz HUGFCPSGGHKXSW-JOCHJYFZSA-N 1 0 391.475 3.695 20 30 GHEDRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000900390102 920268296 /nfs/dbraw/zinc/26/82/96/920268296.db2.gz AXXVODRCRANODO-UHFFFAOYSA-N 1 0 392.503 3.705 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900630557 920472298 /nfs/dbraw/zinc/47/22/98/920472298.db2.gz NRELVTCDXUEHQO-AOCRQIFASA-N 1 0 387.549 3.768 20 30 GHEDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1=O ZINC001275979476 920646669 /nfs/dbraw/zinc/64/66/69/920646669.db2.gz HWUNMEZJXSSPKI-LJQANCHMSA-N 1 0 390.325 3.545 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc(C#N)c1 ZINC000902764837 922481952 /nfs/dbraw/zinc/48/19/52/922481952.db2.gz IWLZVWHQLCYDIY-YADHBBJMSA-N 1 0 377.488 3.708 20 30 GHEDRO CCCc1c(NC(=O)C2CC[NH+](C3CC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000368475523 922697545 /nfs/dbraw/zinc/69/75/45/922697545.db2.gz TXYWNWHWSNVAJZ-UHFFFAOYSA-N 1 0 377.492 3.509 20 30 GHEDRO C=CC[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccncc1 ZINC000903098517 922770229 /nfs/dbraw/zinc/77/02/29/922770229.db2.gz PWGLETPYZLSBMF-IPMKNSEASA-N 1 0 387.524 3.751 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)CC1 ZINC000368914990 922969426 /nfs/dbraw/zinc/96/94/26/922969426.db2.gz LUEUYMVBUIUTBL-IBGZPJMESA-N 1 0 378.520 3.749 20 30 GHEDRO CCCc1c(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)cnn1-c1cccc(C#N)c1 ZINC000368956711 923010411 /nfs/dbraw/zinc/01/04/11/923010411.db2.gz UBWVYTWXNZSUPN-GOSISDBHSA-N 1 0 394.523 3.502 20 30 GHEDRO COc1c(Br)cc(Br)c(Nc2cc[nH+]c(N)c2)c1C#N ZINC001206568531 923468345 /nfs/dbraw/zinc/46/83/45/923468345.db2.gz MEAQXSGLWGPMGG-UHFFFAOYSA-N 1 0 398.058 3.813 20 30 GHEDRO Cc1cc(Br)cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1O ZINC000370530041 924149260 /nfs/dbraw/zinc/14/92/60/924149260.db2.gz ZQBYODWMOFEJQI-UHFFFAOYSA-N 1 0 386.293 3.916 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000679373347 925113122 /nfs/dbraw/zinc/11/31/22/925113122.db2.gz MRLIZFMYJVBBPX-NRFANRHFSA-N 1 0 381.520 3.932 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(O)cccc3Br)CC2)C1=O ZINC001276079268 925270824 /nfs/dbraw/zinc/27/08/24/925270824.db2.gz YSHKRFWOGLEVFH-IBGZPJMESA-N 1 0 393.325 3.545 20 30 GHEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000410076008 925295318 /nfs/dbraw/zinc/29/53/18/925295318.db2.gz WEQASKMFRZKPKD-FDFHNCONSA-N 1 0 398.934 3.609 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000680968788 925671481 /nfs/dbraw/zinc/67/14/81/925671481.db2.gz NSKZPAHZJLZWLY-HXUWFJFHSA-N 1 0 394.515 3.902 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000410496345 925684636 /nfs/dbraw/zinc/68/46/36/925684636.db2.gz FIONOYUKQXUQPU-MAUKXSAKSA-N 1 0 382.895 3.732 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)C1CCOCC1 ZINC000827564539 925822239 /nfs/dbraw/zinc/82/22/39/925822239.db2.gz CUGVBBZCMLAVMP-HNNXBMFYSA-N 1 0 376.216 3.986 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3cccc(C#N)c3)CCCC2)cc1OC ZINC000133076125 926057364 /nfs/dbraw/zinc/05/73/64/926057364.db2.gz VOPGHBURUUUSAG-UHFFFAOYSA-N 1 0 379.460 3.617 20 30 GHEDRO CCC[N@H+](C[C@@H]1CCCCO1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411368267 926339915 /nfs/dbraw/zinc/33/99/15/926339915.db2.gz NLFUUHMZDCNAPY-XLIONFOSSA-N 1 0 375.488 3.742 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1Cl ZINC000411410921 926371445 /nfs/dbraw/zinc/37/14/45/926371445.db2.gz UFEBQKTZMKWRMT-IAGOWNOFSA-N 1 0 393.940 3.527 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3ccncc3)sc2C1 ZINC000411436350 926388230 /nfs/dbraw/zinc/38/82/30/926388230.db2.gz FCUUXLLAAYTZCB-OAHLLOKOSA-N 1 0 382.533 3.643 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3c(Cl)cc(O)cc3Cl)CC2)C1=O ZINC001276164448 926392826 /nfs/dbraw/zinc/39/28/26/926392826.db2.gz AFKDAXDMVQRZJT-UHFFFAOYSA-N 1 0 396.318 3.817 20 30 GHEDRO CSc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000411446383 926395503 /nfs/dbraw/zinc/39/55/03/926395503.db2.gz VJQRDTJABFMAPB-HXUWFJFHSA-N 1 0 380.513 3.809 20 30 GHEDRO COc1ccccc1C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000411517677 926486393 /nfs/dbraw/zinc/48/63/93/926486393.db2.gz NGSHXRPIPGMTIN-ZWKOTPCHSA-N 1 0 383.517 3.591 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000374000242 926641060 /nfs/dbraw/zinc/64/10/60/926641060.db2.gz VJTXABUZMCJPIZ-ICSRJNTNSA-N 1 0 382.533 3.545 20 30 GHEDRO C[NH+](C)CCOc1ccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000726467899 926685891 /nfs/dbraw/zinc/68/58/91/926685891.db2.gz FJDBGVLCTBIUCF-UHFFFAOYSA-N 1 0 388.924 3.639 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(Cl)cc(OC)cc3Cl)C2)C1=O ZINC001276180567 926877864 /nfs/dbraw/zinc/87/78/64/926877864.db2.gz HHPLCVNLTKJCBQ-IBGZPJMESA-N 1 0 397.302 3.529 20 30 GHEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000411893236 926889842 /nfs/dbraw/zinc/88/98/42/926889842.db2.gz MUUZYKOFMVDADW-LYLBAIIYSA-N 1 0 395.528 3.921 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 ZINC000411970933 926955297 /nfs/dbraw/zinc/95/52/97/926955297.db2.gz NYHZTJIYTXJDAA-SIFCLUCFSA-N 1 0 375.538 3.813 20 30 GHEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)n2c1 ZINC000374274585 926964473 /nfs/dbraw/zinc/96/44/73/926964473.db2.gz ZJYCQMHDEYTPTG-OAHLLOKOSA-N 1 0 375.407 3.866 20 30 GHEDRO C#Cc1ccc(C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)cn1 ZINC000749448440 927109213 /nfs/dbraw/zinc/10/92/13/927109213.db2.gz UBLHOKDBRIMNMA-UHFFFAOYSA-N 1 0 383.495 3.837 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000749586119 927203541 /nfs/dbraw/zinc/20/35/41/927203541.db2.gz AEUCUVHYQQYZHE-NQIIRXRSSA-N 1 0 387.568 3.751 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000412338209 927349429 /nfs/dbraw/zinc/34/94/29/927349429.db2.gz MYEALOGCLHQKBS-ZRBLBEILSA-N 1 0 391.515 3.868 20 30 GHEDRO C[C@@H](Cc1ccccc1F)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374862525 927615127 /nfs/dbraw/zinc/61/51/27/927615127.db2.gz GEWJOPRANAMIJP-SFHVURJKSA-N 1 0 379.479 3.679 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000374898472 927670920 /nfs/dbraw/zinc/67/09/20/927670920.db2.gz TZJGINLFQANCII-RTWAWAEBSA-N 1 0 377.463 3.604 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000750831582 927880324 /nfs/dbraw/zinc/88/03/24/927880324.db2.gz CBXCSXNINCAHAD-PMACEKPBSA-N 1 0 397.544 3.604 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000750840850 927887720 /nfs/dbraw/zinc/88/77/20/927887720.db2.gz VGJLNFIGBUQSSV-KRWDZBQOSA-N 1 0 392.528 3.975 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1OCCCC#N ZINC000375416678 928280364 /nfs/dbraw/zinc/28/03/64/928280364.db2.gz SDJSPTZOECDAJJ-KRWDZBQOSA-N 1 0 382.464 3.628 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000413230003 928344860 /nfs/dbraw/zinc/34/48/60/928344860.db2.gz CXVBRQHJDBZRQB-NRFANRHFSA-N 1 0 383.536 3.590 20 30 GHEDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001276254661 928418472 /nfs/dbraw/zinc/41/84/72/928418472.db2.gz FGMSOMHCJQCENA-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000752071511 928583962 /nfs/dbraw/zinc/58/39/62/928583962.db2.gz FEECGFNPHZZRRC-HIFRSBDPSA-N 1 0 395.450 3.895 20 30 GHEDRO Cc1ccnc(OC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000544045471 928730056 /nfs/dbraw/zinc/73/00/56/928730056.db2.gz YZGNKLZVQHGCLA-UHFFFAOYSA-N 1 0 387.487 3.706 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001276275844 929172193 /nfs/dbraw/zinc/17/21/93/929172193.db2.gz DMKCLHVWGWWRKZ-HXUWFJFHSA-N 1 0 397.346 3.663 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000544575201 929301202 /nfs/dbraw/zinc/30/12/02/929301202.db2.gz YYQCNHIZBCUAKK-FCHUYYIVSA-N 1 0 398.528 3.620 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000467721453 929340310 /nfs/dbraw/zinc/34/03/10/929340310.db2.gz UYEYROLMQHMGEA-AOMKIAJQSA-N 1 0 375.472 3.757 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)CC1(C#N)CCCC1 ZINC000544748366 929533838 /nfs/dbraw/zinc/53/38/38/929533838.db2.gz QLKBLWSAZNAXLQ-SFHVURJKSA-N 1 0 389.565 3.564 20 30 GHEDRO COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)ccc1OCc1cccs1 ZINC000753932925 929599925 /nfs/dbraw/zinc/59/99/25/929599925.db2.gz BNORATQMWOMJNW-CALCHBBNSA-N 1 0 384.505 3.530 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000546005298 929765616 /nfs/dbraw/zinc/76/56/16/929765616.db2.gz JBRFYHJSOIBTQC-MRXNPFEDSA-N 1 0 384.505 3.662 20 30 GHEDRO C#CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000757761501 929792157 /nfs/dbraw/zinc/79/21/57/929792157.db2.gz MVPCKIWHECWPBJ-OAQYLSRUSA-N 1 0 385.458 3.803 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000469371131 929828038 /nfs/dbraw/zinc/82/80/38/929828038.db2.gz JSFDMZKETDBENH-KGVIQGDOSA-N 1 0 377.488 3.819 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nc1 ZINC000469551839 929984423 /nfs/dbraw/zinc/98/44/23/929984423.db2.gz LIBNBVUJGVBZBR-QGZVFWFLSA-N 1 0 392.425 3.731 20 30 GHEDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2Cn2cccc(C#N)c2=O)c1 ZINC000758250784 929987793 /nfs/dbraw/zinc/98/77/93/929987793.db2.gz WLZUKEKKKDFHAD-XZOQPEGZSA-N 1 0 385.467 3.917 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000546296134 930029965 /nfs/dbraw/zinc/02/99/65/930029965.db2.gz NYZAGHHRUFFIKO-OAHLLOKOSA-N 1 0 378.432 3.689 20 30 GHEDRO COc1ccc(CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1C#N ZINC000758418745 930039555 /nfs/dbraw/zinc/03/95/55/930039555.db2.gz LSIWOVPSLONUPZ-UHFFFAOYSA-N 1 0 378.476 3.600 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000758632014 930110452 /nfs/dbraw/zinc/11/04/52/930110452.db2.gz NOEXPHSVYQXNHM-LJQANCHMSA-N 1 0 377.410 3.878 20 30 GHEDRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CCC(=O)Nc1ccccc1C#N ZINC000469737173 930124198 /nfs/dbraw/zinc/12/41/98/930124198.db2.gz MHSCLWKHXMJCLM-UHFFFAOYSA-N 1 0 391.393 3.916 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(CCC)cc1 ZINC000759042868 930254523 /nfs/dbraw/zinc/25/45/23/930254523.db2.gz XGHQPCWKISCLTM-UHFFFAOYSA-O 1 0 397.520 3.700 20 30 GHEDRO CC[C@H](CNC(=O)Nc1ccc(C#N)cc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000546708146 930372176 /nfs/dbraw/zinc/37/21/76/930372176.db2.gz VWSPXUKVHNYQEP-LJQANCHMSA-N 1 0 378.476 3.525 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000470163419 930420495 /nfs/dbraw/zinc/42/04/95/930420495.db2.gz QMRIJSRXQDKBCD-QFIPXVFZSA-N 1 0 375.516 3.863 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1-c1ccccc1 ZINC000780745551 930590013 /nfs/dbraw/zinc/59/00/13/930590013.db2.gz QSINUFRDKGZNPL-SBUREZEXSA-N 1 0 399.498 3.899 20 30 GHEDRO COC(=O)c1ccc(N=NC2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000781128897 930709382 /nfs/dbraw/zinc/70/93/82/930709382.db2.gz XBFWHJLRLLLTEZ-OALUTQOASA-N 1 0 378.476 3.568 20 30 GHEDRO C=CCOCCCc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000547190316 930782959 /nfs/dbraw/zinc/78/29/59/930782959.db2.gz SCRTXGSNWQDPEU-UHFFFAOYSA-N 1 0 390.915 3.667 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000470670921 930806410 /nfs/dbraw/zinc/80/64/10/930806410.db2.gz QFEGMSCQBGUCIP-UHFFFAOYSA-N 1 0 379.504 3.941 20 30 GHEDRO C[C@H]1OCC[C@]12C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCO2 ZINC000470951834 931053849 /nfs/dbraw/zinc/05/38/49/931053849.db2.gz YTSQYBOEGPWYSY-YKSBVNFPSA-N 1 0 376.500 3.766 20 30 GHEDRO N#Cc1ccc(OCCC[NH2+][C@H](CCO)c2ccccc2Br)cc1 ZINC000782103989 931091520 /nfs/dbraw/zinc/09/15/20/931091520.db2.gz XAGQGLORECEODM-LJQANCHMSA-N 1 0 389.293 3.803 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000557342933 931358510 /nfs/dbraw/zinc/35/85/10/931358510.db2.gz RMMXAQYRBGTWEK-VQIMIIECSA-N 1 0 388.920 3.972 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(I)cc1 ZINC000783300929 931513472 /nfs/dbraw/zinc/51/34/72/931513472.db2.gz RSQBGACUQHYLJL-INIZCTEOSA-N 1 0 377.229 3.799 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(I)cc1 ZINC000783300936 931514500 /nfs/dbraw/zinc/51/45/00/931514500.db2.gz RSQBGACUQHYLJL-MRXNPFEDSA-N 1 0 377.229 3.799 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000557608639 931571592 /nfs/dbraw/zinc/57/15/92/931571592.db2.gz BDGHCFBVYZGOLU-UHFFFAOYSA-N 1 0 384.524 3.623 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cccc(C(F)(F)F)c1)[n+]1cccc(C)c1 ZINC000783695240 931620152 /nfs/dbraw/zinc/62/01/52/931620152.db2.gz PNNXFQNFAYOFMS-UHFFFAOYSA-O 1 0 377.411 3.735 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000783719570 931629741 /nfs/dbraw/zinc/62/97/41/931629741.db2.gz KGYPKYJOYWNGAB-UHFFFAOYSA-N 1 0 386.540 3.916 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000783871421 931699410 /nfs/dbraw/zinc/69/94/10/931699410.db2.gz NTEHZMKWJYUCQL-JOCHJYFZSA-N 1 0 379.504 3.830 20 30 GHEDRO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925221795 931707419 /nfs/dbraw/zinc/70/74/19/931707419.db2.gz PGPUHLZEQMODKW-QYZOEREBSA-N 1 0 393.572 3.957 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)C[C@H]2CC=CCC2)c1=S ZINC000784007952 931753357 /nfs/dbraw/zinc/75/33/57/931753357.db2.gz GXJRSTPXGSLEGR-IBGZPJMESA-N 1 0 389.613 3.874 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000784481867 931909777 /nfs/dbraw/zinc/90/97/77/931909777.db2.gz DIILHWFEDRDFAC-PKOBYXMFSA-N 1 0 390.405 3.806 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccccc3C#N)C[C@@H]21 ZINC000784512535 931920130 /nfs/dbraw/zinc/92/01/30/931920130.db2.gz QUAQCWCQAFADQE-CEXWTWQISA-N 1 0 385.508 3.562 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(-n3ccnc3)cs2)ccc1OC ZINC000784543068 931930505 /nfs/dbraw/zinc/93/05/05/931930505.db2.gz YQXKLLWXTRFFOC-QGZVFWFLSA-N 1 0 382.489 3.913 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000558316387 931937792 /nfs/dbraw/zinc/93/77/92/931937792.db2.gz PIBVFTXRKQKSCK-UWJYYQICSA-N 1 0 394.519 3.724 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000558316383 931937877 /nfs/dbraw/zinc/93/78/77/931937877.db2.gz PIBVFTXRKQKSCK-UTKZUKDTSA-N 1 0 394.519 3.724 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925901884 931948455 /nfs/dbraw/zinc/94/84/55/931948455.db2.gz NTEACTZJMZFMPA-GOSISDBHSA-N 1 0 381.480 3.555 20 30 GHEDRO C=CCOc1ccccc1-c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000558335461 931948514 /nfs/dbraw/zinc/94/85/14/931948514.db2.gz HCXPGAMLBBBWMD-UHFFFAOYSA-N 1 0 391.475 3.505 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](CC)CC1 ZINC000558456295 932011087 /nfs/dbraw/zinc/01/10/87/932011087.db2.gz TZNVZBMKMZDUPH-UHFFFAOYSA-N 1 0 380.323 3.970 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000796816717 932078235 /nfs/dbraw/zinc/07/82/35/932078235.db2.gz CRWRXIXSRXRFOY-RBBKRZOGSA-N 1 0 385.458 3.907 20 30 GHEDRO Cc1cccc(CC[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000926326691 932137373 /nfs/dbraw/zinc/13/73/73/932137373.db2.gz SRKWFMNURDNZMG-GOSISDBHSA-N 1 0 386.540 3.842 20 30 GHEDRO Cc1ccc(CC[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000926565883 932229490 /nfs/dbraw/zinc/22/94/90/932229490.db2.gz XOCWPFTWDTWSCK-GOSISDBHSA-N 1 0 386.540 3.842 20 30 GHEDRO COC1CCC([NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000926571661 932231007 /nfs/dbraw/zinc/23/10/07/932231007.db2.gz ZPZTZKFKKUQURA-WWDZGPRUSA-N 1 0 379.545 3.853 20 30 GHEDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926668713 932267321 /nfs/dbraw/zinc/26/73/21/932267321.db2.gz KFWXXRAGNXOLMQ-ROUUACIJSA-N 1 0 386.540 3.922 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000797414488 932275396 /nfs/dbraw/zinc/27/53/96/932275396.db2.gz AYZNYTDNSCXGQO-XGHQBKJUSA-N 1 0 387.549 3.930 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000797414485 932275453 /nfs/dbraw/zinc/27/54/53/932275453.db2.gz AYZNYTDNSCXGQO-WWMYMODYSA-N 1 0 387.549 3.930 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCCOC1 ZINC000926745245 932289005 /nfs/dbraw/zinc/28/90/05/932289005.db2.gz GGBCTEGUGFBRHD-ROUUACIJSA-N 1 0 379.545 3.712 20 30 GHEDRO CC(C)[C@H]1CN([C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000926806293 932314825 /nfs/dbraw/zinc/31/48/25/932314825.db2.gz FJLYZKSHVIRZNG-RTBURBONSA-N 1 0 392.588 3.578 20 30 GHEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC000926880820 932335407 /nfs/dbraw/zinc/33/54/07/932335407.db2.gz VWUWXCBQOPTAMW-DLBZAZTESA-N 1 0 379.545 3.711 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000558980345 932352857 /nfs/dbraw/zinc/35/28/57/932352857.db2.gz YLMGQKCGDAJKGG-UHFFFAOYSA-N 1 0 395.551 3.985 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798072644 932517928 /nfs/dbraw/zinc/51/79/28/932517928.db2.gz QIEQLEQYPYNHFX-GOSISDBHSA-N 1 0 380.492 3.777 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1OCCC(C)C ZINC000559273189 932570152 /nfs/dbraw/zinc/57/01/52/932570152.db2.gz HUUYGYVBHAQZCJ-MRXNPFEDSA-N 1 0 393.491 3.885 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)ccc1C#N ZINC000559321243 932597530 /nfs/dbraw/zinc/59/75/30/932597530.db2.gz DCCOJLVQKCHZMR-YWZLYKJASA-N 1 0 381.451 3.548 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)ccc1C#N ZINC000559321241 932597806 /nfs/dbraw/zinc/59/78/06/932597806.db2.gz DCCOJLVQKCHZMR-MGPUTAFESA-N 1 0 381.451 3.548 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798527014 932691323 /nfs/dbraw/zinc/69/13/23/932691323.db2.gz YTSLFMYQWHOVHI-XMMPIXPASA-N 1 0 394.515 3.902 20 30 GHEDRO C#CCN(CC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000798802795 932782332 /nfs/dbraw/zinc/78/23/32/932782332.db2.gz AHYFKJHSZFTMSW-FCHUYYIVSA-N 1 0 391.902 3.541 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000799121763 932881298 /nfs/dbraw/zinc/88/12/98/932881298.db2.gz MEHOISVMLJJAOO-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000559835721 932894424 /nfs/dbraw/zinc/89/44/24/932894424.db2.gz MXXHSFVJLZHWRK-FBBABVLZSA-N 1 0 397.519 3.545 20 30 GHEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000799165330 932895264 /nfs/dbraw/zinc/89/52/64/932895264.db2.gz FLCLTPFEOHYIPZ-QZTJIDSGSA-N 1 0 379.545 3.712 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000559953227 932979557 /nfs/dbraw/zinc/97/95/57/932979557.db2.gz XGKDILUHFKGBOL-GFCCVEGCSA-N 1 0 382.407 3.831 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000560055479 933039865 /nfs/dbraw/zinc/03/98/65/933039865.db2.gz LIORVXUHAQBYMO-FQEVSTJZSA-N 1 0 381.442 3.585 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000799717208 933098686 /nfs/dbraw/zinc/09/86/86/933098686.db2.gz LBAYYSKBQMTRPT-VXKWHMMOSA-N 1 0 375.472 3.583 20 30 GHEDRO COc1cc(C[N@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000799731715 933102461 /nfs/dbraw/zinc/10/24/61/933102461.db2.gz XTCRJCMSACDCSG-UHFFFAOYSA-N 1 0 385.508 3.931 20 30 GHEDRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C#N)c(OC)c2)cn1 ZINC000799735281 933104276 /nfs/dbraw/zinc/10/42/76/933104276.db2.gz NPMLUTUXYRILDM-JOCHJYFZSA-N 1 0 390.487 3.519 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[NH+](C(C)(C)C)CC2)c1=S ZINC001115863870 933225209 /nfs/dbraw/zinc/22/52/09/933225209.db2.gz OWTWFQPKCREQNJ-UHFFFAOYSA-N 1 0 385.581 3.564 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc(OCC#N)cc2)CCC1 ZINC001117786660 934022616 /nfs/dbraw/zinc/02/26/16/934022616.db2.gz XPWZXBGVAQBPQG-UHFFFAOYSA-N 1 0 378.476 3.765 20 30 GHEDRO N#Cc1ccc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1Cl ZINC000561416614 934143756 /nfs/dbraw/zinc/14/37/56/934143756.db2.gz BRKICGDNFVLDPD-NRFANRHFSA-N 1 0 380.923 3.608 20 30 GHEDRO C=CC1(CC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC001119811055 934398827 /nfs/dbraw/zinc/39/88/27/934398827.db2.gz VWTDQAYVPJHECK-GOSISDBHSA-N 1 0 393.572 3.570 20 30 GHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(CCC#N)cc2)cc1 ZINC001121057875 934557444 /nfs/dbraw/zinc/55/74/44/934557444.db2.gz SLKRUAPNBIUTPJ-UHFFFAOYSA-N 1 0 378.476 3.562 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000562031687 934645713 /nfs/dbraw/zinc/64/57/13/934645713.db2.gz MPGOHUGWCWOAHD-LJQANCHMSA-N 1 0 398.514 3.713 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC[C@H](COC)C1 ZINC001121495975 934673970 /nfs/dbraw/zinc/67/39/70/934673970.db2.gz UJWSJKNFBYHVDK-AZUAARDMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1C(F)(F)c1ccccc1 ZINC001121531214 934687299 /nfs/dbraw/zinc/68/72/99/934687299.db2.gz WUPRBVCNPJZDDY-UHFFFAOYSA-N 1 0 389.494 3.915 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001121553586 934695630 /nfs/dbraw/zinc/69/56/30/934695630.db2.gz UDZQKISJRQJRNY-HZPDHXFCSA-N 1 0 396.495 3.546 20 30 GHEDRO C=CCn1c([C@H](O)C2CCCC2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001121579695 934705124 /nfs/dbraw/zinc/70/51/24/934705124.db2.gz WEZOOPBCEKGGKR-LJQANCHMSA-N 1 0 387.572 3.533 20 30 GHEDRO C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001121597745 934711550 /nfs/dbraw/zinc/71/15/50/934711550.db2.gz QSXAPSGPAUCLHS-UHFFFAOYSA-N 1 0 390.535 3.652 20 30 GHEDRO C=CCn1c(-c2ccc3ncccc3c2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121613532 934715312 /nfs/dbraw/zinc/71/53/12/934715312.db2.gz WQIZENBDEVBCGC-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC000931957399 934777429 /nfs/dbraw/zinc/77/74/29/934777429.db2.gz MSGYOBPGQKPUAO-QZTJIDSGSA-N 1 0 379.545 3.570 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)CC1 ZINC001122000428 934801413 /nfs/dbraw/zinc/80/14/13/934801413.db2.gz WSTDVHLWSJWCCH-SFHVURJKSA-N 1 0 380.540 3.700 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCCOC2)O1 ZINC000562316259 934818337 /nfs/dbraw/zinc/81/83/37/934818337.db2.gz XXHYPTCSKHYNEF-YADARESESA-N 1 0 392.499 3.907 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccccc1 ZINC001122161446 934835764 /nfs/dbraw/zinc/83/57/64/934835764.db2.gz IUJHNSKHALDYEI-UHFFFAOYSA-N 1 0 392.551 3.582 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C)on2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001122537096 934892886 /nfs/dbraw/zinc/89/28/86/934892886.db2.gz QKNKQFVYFHKROI-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)C2CCCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122556866 934899053 /nfs/dbraw/zinc/89/90/53/934899053.db2.gz GMTAAQSKKRWNHT-IBGZPJMESA-N 1 0 387.572 3.533 20 30 GHEDRO C=C(C)Cn1c(-c2cncc3ccccc32)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001122587107 934909827 /nfs/dbraw/zinc/90/98/27/934909827.db2.gz XQIIUTRNZVWTEP-RXVVDRJESA-N 1 0 388.519 3.600 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SCC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001122596584 934913127 /nfs/dbraw/zinc/91/31/27/934913127.db2.gz VOKIQGUZVAZQRO-KRWDZBQOSA-N 1 0 379.618 3.849 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001122635495 934928669 /nfs/dbraw/zinc/92/86/69/934928669.db2.gz BCNYNBCUZWAEOR-IBGZPJMESA-N 1 0 392.507 3.528 20 30 GHEDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(C#N)cc1Br)CC2 ZINC001137636765 935651741 /nfs/dbraw/zinc/65/17/41/935651741.db2.gz MASGWWAPJOWQSN-KRWDZBQOSA-N 1 0 393.325 3.586 20 30 GHEDRO COc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)ccc1C#N ZINC000829422496 935808696 /nfs/dbraw/zinc/80/86/96/935808696.db2.gz GGUUFSCTRWPVKC-MRXNPFEDSA-N 1 0 379.460 3.540 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)cc1 ZINC001137902607 935856778 /nfs/dbraw/zinc/85/67/78/935856778.db2.gz KPOUDSYIONGEPF-UHFFFAOYSA-N 1 0 375.472 3.998 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccc(OC(C)=O)c3)CC2)C1 ZINC001138037385 935942126 /nfs/dbraw/zinc/94/21/26/935942126.db2.gz VDGHPSGGAONBDX-UHFFFAOYSA-N 1 0 386.492 3.613 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001154371937 1032068342 /nfs/dbraw/zinc/06/83/42/1032068342.db2.gz NPBURKXDWUACIK-UHFFFAOYSA-N 1 0 392.415 3.931 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)C1 ZINC001220725366 1032086198 /nfs/dbraw/zinc/08/61/98/1032086198.db2.gz QVAWQPIFTBZEAC-GPEFNYHDSA-N 1 0 399.538 3.777 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 ZINC001220725135 1032086653 /nfs/dbraw/zinc/08/66/53/1032086653.db2.gz MTZKGMQQPPPGIK-SEXQDQJWSA-N 1 0 385.511 3.560 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC001625983161 1014634063 /nfs/dbraw/zinc/63/40/63/1014634063.db2.gz ZOSKUMGAGKNQPZ-OUKQBFOZSA-N 1 0 377.488 3.515 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468246318 1015491940 /nfs/dbraw/zinc/49/19/40/1015491940.db2.gz WLJXMSSYOBMZII-UHFFFAOYSA-N 1 0 388.471 3.985 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@]12CCCO2 ZINC000545350120 1015797268 /nfs/dbraw/zinc/79/72/68/1015797268.db2.gz QWFWOQIIUPPEOE-VXNXHJTFSA-N 1 0 392.499 3.953 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCCC1 ZINC000545371459 1015818859 /nfs/dbraw/zinc/81/88/59/1015818859.db2.gz GWAGUOIPQZYWBY-UHFFFAOYSA-N 1 0 378.476 3.597 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(Nc3cc(OCC)ncn3)CC2)cc1OC ZINC000468691220 1015913370 /nfs/dbraw/zinc/91/33/70/1015913370.db2.gz WHYRQXAZCRWCDD-UHFFFAOYSA-N 1 0 398.507 3.525 20 30 GHEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000468717647 1015948511 /nfs/dbraw/zinc/94/85/11/1015948511.db2.gz BLKYSDZOGJBPRE-GOSISDBHSA-N 1 0 381.495 3.856 20 30 GHEDRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000468761191 1016003520 /nfs/dbraw/zinc/00/35/20/1016003520.db2.gz ATYXRNFONMQXRT-UHFFFAOYSA-N 1 0 377.897 3.854 20 30 GHEDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000468874153 1016149621 /nfs/dbraw/zinc/14/96/21/1016149621.db2.gz GMCWYSCMLKSZMV-UHFFFAOYSA-N 1 0 390.443 3.796 20 30 GHEDRO C[C@@H](CC#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468977389 1016298068 /nfs/dbraw/zinc/29/80/68/1016298068.db2.gz LFMHUBQQICNSFV-ORYQWCPZSA-N 1 0 381.907 3.974 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000545790032 1016386067 /nfs/dbraw/zinc/38/60/67/1016386067.db2.gz AMKSCWBUKAGXBZ-HNNXBMFYSA-N 1 0 378.432 3.689 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469081810 1016437933 /nfs/dbraw/zinc/43/79/33/1016437933.db2.gz SIWPGDMLCGCAPH-UHFFFAOYSA-N 1 0 380.492 3.988 20 30 GHEDRO CC(C)CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000469106604 1016492684 /nfs/dbraw/zinc/49/26/84/1016492684.db2.gz XAZCZVAHAAVUPX-JKSUJKDBSA-N 1 0 389.565 3.820 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000925318629 1017069622 /nfs/dbraw/zinc/06/96/22/1017069622.db2.gz GJHKVCJLYNLJKM-JXFKEZNVSA-N 1 0 378.476 3.546 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC001226878019 1032171320 /nfs/dbraw/zinc/17/13/20/1032171320.db2.gz NAKCNOWRKVINBS-FCHUYYIVSA-N 1 0 379.479 3.710 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N[C@@H]1CCc2ccc(C(F)(F)F)cc21 ZINC001221087192 1032278693 /nfs/dbraw/zinc/27/86/93/1032278693.db2.gz WDGOBQGMJVIOMB-PKOBYXMFSA-N 1 0 387.405 3.641 20 30 GHEDRO C#CCC1(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CCCCC1 ZINC001221097004 1032284512 /nfs/dbraw/zinc/28/45/12/1032284512.db2.gz DYYZAXBDGBZODL-OAQYLSRUSA-N 1 0 383.536 3.858 20 30 GHEDRO CC[NH+]1CCC(Oc2c(Br)cc(C#N)cc2Br)CC1 ZINC001227343472 1032382886 /nfs/dbraw/zinc/38/28/86/1032382886.db2.gz OCPPTMSVZBTAAU-UHFFFAOYSA-N 1 0 388.103 3.946 20 30 GHEDRO N#Cc1cc2ccc(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2oc1=O ZINC001227383429 1032397891 /nfs/dbraw/zinc/39/78/91/1032397891.db2.gz QDPFMOMQYPXOGO-VLCRHTCISA-N 1 0 386.451 3.954 20 30 GHEDRO N#Cc1cc(C#N)c(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc1Cl ZINC001155629708 1032609222 /nfs/dbraw/zinc/60/92/22/1032609222.db2.gz MUFGOLGSNMRCKH-YGWPLHOASA-N 1 0 393.922 3.878 20 30 GHEDRO CO[C@@H](C[NH+]1CCN(c2nc(-c3ccncc3)ccc2C#N)CC1)c1ccccc1 ZINC001155720868 1032661838 /nfs/dbraw/zinc/66/18/38/1032661838.db2.gz XUIVKNURPZUNIO-QHCPKHFHSA-N 1 0 399.498 3.525 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)ccc1OC ZINC000925398580 1017078637 /nfs/dbraw/zinc/07/86/37/1017078637.db2.gz ZFVZIRAFBOOJBD-JXFKEZNVSA-N 1 0 391.475 3.808 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000558278902 1017156261 /nfs/dbraw/zinc/15/62/61/1017156261.db2.gz RBAMALNYROCOTR-CJNGLKHVSA-N 1 0 396.413 3.590 20 30 GHEDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC001204243422 1032686734 /nfs/dbraw/zinc/68/67/34/1032686734.db2.gz ZTUXKPNLWHJZPF-UHFFFAOYSA-N 1 0 385.515 3.885 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559144978 1017373506 /nfs/dbraw/zinc/37/35/06/1017373506.db2.gz FNGZDJCKBXFLLN-ICSRJNTNSA-N 1 0 383.858 3.533 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001227925056 1032696781 /nfs/dbraw/zinc/69/67/81/1032696781.db2.gz SLFPAIBSEFGLFZ-OAQYLSRUSA-N 1 0 383.536 3.543 20 30 GHEDRO Cn1cc(CNc2ccc(OCCC[NH+](C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000778103157 1018542517 /nfs/dbraw/zinc/54/25/17/1018542517.db2.gz NGJXNVWHIBOADT-UHFFFAOYSA-N 1 0 389.503 3.901 20 30 GHEDRO N#CC1(NC(=O)C(F)(F)c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000778112594 1018578177 /nfs/dbraw/zinc/57/81/77/1018578177.db2.gz IFAHWEJNIUHLCZ-UHFFFAOYSA-N 1 0 387.405 3.592 20 30 GHEDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000562726682 1018579167 /nfs/dbraw/zinc/57/91/67/1018579167.db2.gz BWGZVCXYHFUGOK-DLBZAZTESA-N 1 0 398.551 3.619 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)c1 ZINC000562751752 1018603174 /nfs/dbraw/zinc/60/31/74/1018603174.db2.gz XVWQISRCFAUWRU-HDICACEKSA-N 1 0 376.460 3.814 20 30 GHEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000562815174 1018674435 /nfs/dbraw/zinc/67/44/35/1018674435.db2.gz TYFHAGIJJXFQDH-UWJYYQICSA-N 1 0 394.494 3.797 20 30 GHEDRO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000932918661 1018752261 /nfs/dbraw/zinc/75/22/61/1018752261.db2.gz KDEOGZDFHJFZKL-AEFFLSMTSA-N 1 0 382.957 3.870 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](CCc3ccns3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932940457 1018768078 /nfs/dbraw/zinc/76/80/78/1018768078.db2.gz PNDWMKXPXCDVMR-DTORHVGOSA-N 1 0 380.304 3.788 20 30 GHEDRO FC1(F)[C@H]2C[NH+](CCc3ccns3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932940458 1018768278 /nfs/dbraw/zinc/76/82/78/1018768278.db2.gz PNDWMKXPXCDVMR-IUCAKERBSA-N 1 0 380.304 3.788 20 30 GHEDRO O[C@H](C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 ZINC000932942281 1018770987 /nfs/dbraw/zinc/77/09/87/1018770987.db2.gz GPZMCQIBSWSRSL-SDDRHHMPSA-N 1 0 389.286 3.823 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000933074537 1018833689 /nfs/dbraw/zinc/83/36/89/1018833689.db2.gz LNKBPLWLYVXEPU-NRFANRHFSA-N 1 0 378.472 3.678 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNCc1ccccc1CN1CCCC1=O ZINC000778156305 1018845935 /nfs/dbraw/zinc/84/59/35/1018845935.db2.gz SIPFWPHGBNCZAD-UHFFFAOYSA-N 1 0 382.891 3.764 20 30 GHEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1F ZINC000563747392 1018949130 /nfs/dbraw/zinc/94/91/30/1018949130.db2.gz MZFYZFPFHGCOSD-SFHVURJKSA-N 1 0 395.887 3.506 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1C ZINC000564759696 1019109430 /nfs/dbraw/zinc/10/94/30/1019109430.db2.gz DVEBLLPOUVORFF-ZJSXRUAMSA-N 1 0 390.531 3.585 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000564857674 1019119565 /nfs/dbraw/zinc/11/95/65/1019119565.db2.gz OKLQAFFEQCIHGR-OAQYLSRUSA-N 1 0 391.515 3.919 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000565133856 1019166579 /nfs/dbraw/zinc/16/65/79/1019166579.db2.gz DPUFPTKSUOTVRH-JTHBVZDNSA-N 1 0 398.551 3.968 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c1C ZINC000566707700 1019245829 /nfs/dbraw/zinc/24/58/29/1019245829.db2.gz WHJZGQOGOATEIL-HSZRJFAPSA-N 1 0 393.531 3.900 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)ccc(OC)c3F)CC2)C1=O ZINC001276461084 1032817714 /nfs/dbraw/zinc/81/77/14/1032817714.db2.gz CSZTVLNAFBIEMP-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000568417268 1019403202 /nfs/dbraw/zinc/40/32/02/1019403202.db2.gz BGSXONPKEZZYBG-UHFFFAOYSA-N 1 0 384.572 3.808 20 30 GHEDRO C#CC[C@H](NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000778719831 1019512618 /nfs/dbraw/zinc/51/26/18/1019512618.db2.gz UJKOHYQWSURTIL-OIBXWCBGSA-N 1 0 375.516 3.961 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC001204411289 1032836462 /nfs/dbraw/zinc/83/64/62/1032836462.db2.gz MNTWXNNYZNFQBB-WZONZLPQSA-N 1 0 393.506 3.851 20 30 GHEDRO C[C@@]1(Cc2cccc(F)c2)CCCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000576581037 1020036599 /nfs/dbraw/zinc/03/65/99/1020036599.db2.gz OMKOIRHPTUXHIH-NRFANRHFSA-N 1 0 386.492 3.568 20 30 GHEDRO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576668783 1020051272 /nfs/dbraw/zinc/05/12/72/1020051272.db2.gz OVPDKLGDACFTKP-PXNSSMCTSA-N 1 0 397.544 3.820 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576837941 1020075811 /nfs/dbraw/zinc/07/58/11/1020075811.db2.gz RRNZQIQIDZPTGM-QFIPXVFZSA-N 1 0 380.536 3.891 20 30 GHEDRO CN(C)CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1CCCCC1 ZINC000577167778 1020138050 /nfs/dbraw/zinc/13/80/50/1020138050.db2.gz AUEKZOOROIOYJR-UHFFFAOYSA-N 1 0 394.567 3.803 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)[C@H]1CCC[N@H+](CCc3ccccc3)C1)C2 ZINC000600789625 1020255625 /nfs/dbraw/zinc/25/56/25/1020255625.db2.gz SUWJAOWHHXWNEK-QHCPKHFHSA-N 1 0 387.527 3.592 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634341010 1020947946 /nfs/dbraw/zinc/94/79/46/1020947946.db2.gz IAFWNDXHGLMNMV-UHFFFAOYSA-N 1 0 392.551 3.778 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000834484006 1021218476 /nfs/dbraw/zinc/21/84/76/1021218476.db2.gz CEVDMAMDTYSERG-XWIAVFTESA-N 1 0 389.883 3.540 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cccc(-c3nccs3)c2)CC1 ZINC001140338823 1021445189 /nfs/dbraw/zinc/44/51/89/1021445189.db2.gz GXTZIBLIPPVOOF-UHFFFAOYSA-N 1 0 382.577 3.602 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3cc(C(F)(F)F)c(C#N)cc3N)c2)CC1 ZINC001204581438 1032983919 /nfs/dbraw/zinc/98/39/19/1032983919.db2.gz VEOSQJFTALAAGK-UHFFFAOYSA-N 1 0 389.425 3.650 20 30 GHEDRO N#Cc1cc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000803907991 1021647252 /nfs/dbraw/zinc/64/72/52/1021647252.db2.gz RZWOKHJGJPSAPD-GOSISDBHSA-N 1 0 388.389 3.898 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001140464623 1021756526 /nfs/dbraw/zinc/75/65/26/1021756526.db2.gz XQPTZNOXEZNYTO-UHFFFAOYSA-N 1 0 384.867 3.703 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(Cl)cc4O)C3)CC2=O)c1 ZINC001140464756 1021758123 /nfs/dbraw/zinc/75/81/23/1021758123.db2.gz AQQKWKOVCIHJJW-NRFANRHFSA-N 1 0 381.863 3.546 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)cn1 ZINC001140544139 1021944043 /nfs/dbraw/zinc/94/40/43/1021944043.db2.gz ZLTLFBJEJBHWMN-UHFFFAOYSA-N 1 0 386.499 3.634 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@H]12 ZINC001140603296 1022050686 /nfs/dbraw/zinc/05/06/86/1022050686.db2.gz ILEXIUULZCFCDU-UWWQBHOKSA-N 1 0 375.900 3.947 20 30 GHEDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001140620163 1022091335 /nfs/dbraw/zinc/09/13/35/1022091335.db2.gz DYXCILNMYULYPP-XMMPIXPASA-N 1 0 391.515 3.691 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)CC2 ZINC001140628025 1022107662 /nfs/dbraw/zinc/10/76/62/1022107662.db2.gz PVNUKGFZHCFWPW-FQEVSTJZSA-N 1 0 380.435 3.527 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2c(Cl)ncc3ccccc32)CC1 ZINC001140727059 1022369422 /nfs/dbraw/zinc/36/94/22/1022369422.db2.gz WDSYYPDUTVTLQH-UHFFFAOYSA-N 1 0 384.955 3.680 20 30 GHEDRO Cc1nn(C)c(C)c1C[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001203060744 1022377462 /nfs/dbraw/zinc/37/74/62/1022377462.db2.gz RPGXUHRQEVDART-UHFFFAOYSA-N 1 0 387.325 3.857 20 30 GHEDRO COc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001140730073 1022381542 /nfs/dbraw/zinc/38/15/42/1022381542.db2.gz ZOJGIZVANJMMIA-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1-c1ccccc1 ZINC000754106673 1022486017 /nfs/dbraw/zinc/48/60/17/1022486017.db2.gz SISKZYDVOVTGAR-SBUREZEXSA-N 1 0 399.498 3.504 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-n3cncc3C[NH2+]Cc3ccccc3)nn2)cc1 ZINC001156482841 1033058689 /nfs/dbraw/zinc/05/86/89/1033058689.db2.gz WSGKEHXXFASDOR-JOCHJYFZSA-N 1 0 394.482 3.916 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CCO)c2cccs2)c1 ZINC000754394538 1022669936 /nfs/dbraw/zinc/66/99/36/1022669936.db2.gz IZGMIOBAYKSXNR-HKUYNNGSSA-N 1 0 385.533 3.713 20 30 GHEDRO CC[N@H+](CCNC(=S)Nc1ccc(C#N)c(Cl)c1)CCC(F)(F)F ZINC000754825233 1022915460 /nfs/dbraw/zinc/91/54/60/1022915460.db2.gz POYCRJOMNGZLPU-UHFFFAOYSA-N 1 0 378.851 3.772 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)COC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1C ZINC000754872439 1022943284 /nfs/dbraw/zinc/94/32/84/1022943284.db2.gz LRSJZXMIXJZUGV-UHFFFAOYSA-N 1 0 399.535 3.746 20 30 GHEDRO COc1ccc(-c2cccc(C[N@@H+]3CCCN(c4ccc(C#N)cn4)CC3)n2)cc1 ZINC001140959063 1023003901 /nfs/dbraw/zinc/00/39/01/1023003901.db2.gz JBZQQMVHEIMYMO-UHFFFAOYSA-N 1 0 399.498 3.736 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(-c4ncccn4)c3)C2)C1 ZINC001140975951 1023059105 /nfs/dbraw/zinc/05/91/05/1023059105.db2.gz TWNVGPPSJPLVRV-QHCPKHFHSA-N 1 0 392.503 3.754 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000755119491 1023082493 /nfs/dbraw/zinc/08/24/93/1023082493.db2.gz IGQCAJSHVSRDSU-GRDTXPOLSA-N 1 0 398.466 3.766 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(C)c3Br)C2)C1=O ZINC001141090327 1023467504 /nfs/dbraw/zinc/46/75/04/1023467504.db2.gz QGXHFFJBEJDQCZ-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO N#Cc1c(N)sc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1Cl ZINC001141109852 1023523124 /nfs/dbraw/zinc/52/31/24/1023523124.db2.gz VJUIAXNGXOQGFD-QGZVFWFLSA-N 1 0 392.937 3.546 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000756122397 1023529161 /nfs/dbraw/zinc/52/91/61/1023529161.db2.gz QFCMOUSDDXXOHM-CYBMUJFWSA-N 1 0 395.322 3.796 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)cc(OC)c1OC ZINC000756896902 1023850795 /nfs/dbraw/zinc/85/07/95/1023850795.db2.gz OLKKTYKFOFNUQK-UHFFFAOYSA-N 1 0 390.524 3.779 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC001156668078 1033171263 /nfs/dbraw/zinc/17/12/63/1033171263.db2.gz KGIZEVMPFVCBFP-UHFFFAOYSA-N 1 0 379.504 3.768 20 30 GHEDRO C#CC[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000757028345 1023911953 /nfs/dbraw/zinc/91/19/53/1023911953.db2.gz YNAHXWYBAFRFSY-QHCPKHFHSA-N 1 0 391.515 3.725 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC001156672274 1033173879 /nfs/dbraw/zinc/17/38/79/1033173879.db2.gz KLSRXXCLKWHANJ-LJQANCHMSA-N 1 0 389.540 3.527 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163486 1023989632 /nfs/dbraw/zinc/98/96/32/1023989632.db2.gz GQUAZHQLJIHDFS-GHTZIAJQSA-N 1 0 391.462 3.868 20 30 GHEDRO COCC[N@H+](Cc1ccc(F)cc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001141166881 1023997992 /nfs/dbraw/zinc/99/79/92/1023997992.db2.gz MVDRTLNAVGOHFX-UHFFFAOYSA-N 1 0 391.487 3.545 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3C[C@@H]4CN(c5ncccn5)C[C@H]4C3)cc2)cc1 ZINC001141292227 1024421276 /nfs/dbraw/zinc/42/12/76/1024421276.db2.gz VOUJNCLNDNCZSU-NHCUHLMSSA-N 1 0 397.482 3.709 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3c(Cl)cncc3Cl)CC2)cc1 ZINC001205032645 1033220152 /nfs/dbraw/zinc/22/01/52/1033220152.db2.gz KUGLBYVRGIUOHZ-UHFFFAOYSA-N 1 0 375.303 3.968 20 30 GHEDRO COc1cc2cccnc2c(N(c2nc(Cl)ncc2C#N)[C@@H](C)CCC[NH3+])c1 ZINC001156750345 1033222264 /nfs/dbraw/zinc/22/22/64/1033222264.db2.gz MMTKZADABJONKG-ZDUSSCGKSA-N 1 0 396.882 3.824 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1OC ZINC001138346262 1024707019 /nfs/dbraw/zinc/70/70/19/1024707019.db2.gz ZQFOLPNZUPJIDF-UHFFFAOYSA-N 1 0 388.508 3.586 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138346594 1024708285 /nfs/dbraw/zinc/70/82/85/1024708285.db2.gz IPLZSGORXNGPFB-PKTZIBPZSA-N 1 0 390.527 3.661 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@@H]2c2ccccc2)cc1OC ZINC001138346633 1024708726 /nfs/dbraw/zinc/70/87/26/1024708726.db2.gz KBAZNZKUICIBMC-NHCUHLMSSA-N 1 0 393.483 3.834 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC3CCOCC3)cc1)C2 ZINC001141410297 1024923640 /nfs/dbraw/zinc/92/36/40/1024923640.db2.gz HGRNPIWSVPYTIK-GOTSBHOMSA-N 1 0 387.520 3.571 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OC(F)F)c(OC)c3)C2)CC1 ZINC001138551762 1025005915 /nfs/dbraw/zinc/00/59/15/1025005915.db2.gz MCARQOQTYKNRSG-UHFFFAOYSA-N 1 0 396.434 3.517 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)c1O ZINC001138627239 1025127066 /nfs/dbraw/zinc/12/70/66/1025127066.db2.gz AHGHVXOOSGRGPM-WOJBJXKFSA-N 1 0 397.544 3.651 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)c1O ZINC001138627900 1025128891 /nfs/dbraw/zinc/12/88/91/1025128891.db2.gz PQFXHPKTLGZIBZ-UHFFFAOYSA-N 1 0 391.515 3.644 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1O ZINC001138627815 1025129094 /nfs/dbraw/zinc/12/90/94/1025129094.db2.gz PINXOIGUTKVAFH-WMZHIEFXSA-N 1 0 398.478 3.857 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001138628689 1025130228 /nfs/dbraw/zinc/13/02/28/1025130228.db2.gz YTXNNAQZRXSZRG-NRFANRHFSA-N 1 0 376.500 3.617 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(NC(=O)c3cccc(OC)c3)CC2)c1O ZINC001138631618 1025136447 /nfs/dbraw/zinc/13/64/47/1025136447.db2.gz VOIRZWMQXBPMGJ-UHFFFAOYSA-N 1 0 380.488 3.524 20 30 GHEDRO C=C(C)COc1ccccc1CN1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001138660804 1025179055 /nfs/dbraw/zinc/17/90/55/1025179055.db2.gz DIBKTQTUWUTKMG-DHIUTWEWSA-N 1 0 393.531 3.512 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c(Br)c1 ZINC000832054639 1025187407 /nfs/dbraw/zinc/18/74/07/1025187407.db2.gz QVFGKKZNDHZRNZ-QAPCUYQASA-N 1 0 391.309 3.828 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000838935209 1025456526 /nfs/dbraw/zinc/45/65/26/1025456526.db2.gz FNLXQQPPGOHZDX-NVXWUHKLSA-N 1 0 388.468 3.640 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161987088 1025522043 /nfs/dbraw/zinc/52/20/43/1025522043.db2.gz KJENSFOOPSXGIA-UHFFFAOYSA-N 1 0 394.828 3.831 20 30 GHEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000839089614 1025585455 /nfs/dbraw/zinc/58/54/55/1025585455.db2.gz HJVHGPRWEZOLCG-ROUUACIJSA-N 1 0 379.545 3.570 20 30 GHEDRO COC(=O)c1cccc(CN(c2cc(Cl)ncc2C#N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162189826 1025656844 /nfs/dbraw/zinc/65/68/44/1025656844.db2.gz IGASTPCQQZGWJP-IYARVYRRSA-N 1 0 398.894 3.670 20 30 GHEDRO Cc1c(Cl)cnc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1C#N ZINC001162195696 1025661456 /nfs/dbraw/zinc/66/14/56/1025661456.db2.gz NQLMYLVRMYYIJM-UHFFFAOYSA-N 1 0 397.954 3.925 20 30 GHEDRO CC(C)C[C@H](CO)Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001162365215 1025726728 /nfs/dbraw/zinc/72/67/28/1025726728.db2.gz IVENMQNLJJQQCM-OAQYLSRUSA-N 1 0 392.547 3.958 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162461309 1025754968 /nfs/dbraw/zinc/75/49/68/1025754968.db2.gz OLJSXQWHVKKSNF-PKOBYXMFSA-N 1 0 375.520 3.564 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1 ZINC001139029698 1025799229 /nfs/dbraw/zinc/79/92/29/1025799229.db2.gz HHGZUGDFEOSPOJ-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1ccccc1CN1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001139032579 1025806241 /nfs/dbraw/zinc/80/62/41/1025806241.db2.gz PMTJYKANWMDYQS-UHFFFAOYSA-N 1 0 380.536 3.616 20 30 GHEDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc(Br)cc(C#N)c1NC(=O)OC(C)(C)C ZINC001162675936 1025867699 /nfs/dbraw/zinc/86/76/99/1025867699.db2.gz HYEYPIDIKKKHSI-ZWNOBZJWSA-N 1 0 395.301 3.830 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139078799 1025890339 /nfs/dbraw/zinc/89/03/39/1025890339.db2.gz NXGPTERPFHJWAB-GGAORHGYSA-N 1 0 395.503 3.843 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cn(C)c3ccc(OC)cc13)C2 ZINC001139146430 1025958854 /nfs/dbraw/zinc/95/88/54/1025958854.db2.gz KMFFCWIDCOBDGQ-XZOQPEGZSA-N 1 0 384.520 3.761 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2Nc2ccc([C@H](C[NH3+])CO)cc2)cc1 ZINC001163058693 1026029652 /nfs/dbraw/zinc/02/96/52/1026029652.db2.gz PFYKDXDYSBUJFE-OAHLLOKOSA-N 1 0 395.850 3.572 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141654692 1026089805 /nfs/dbraw/zinc/08/98/05/1026089805.db2.gz GUOVNKPPHYOYAM-ZIAGYGMSSA-N 1 0 395.194 3.548 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](O)c1ccccc1 ZINC000839601666 1026101101 /nfs/dbraw/zinc/10/11/01/1026101101.db2.gz LZRHRKZVWGHATN-LEWJYISDSA-N 1 0 397.544 3.785 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)s3)CC2)cc1 ZINC001139293756 1026145152 /nfs/dbraw/zinc/14/51/52/1026145152.db2.gz WLMMDELSXGJQTL-UHFFFAOYSA-N 1 0 381.545 3.960 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000839643945 1026154916 /nfs/dbraw/zinc/15/49/16/1026154916.db2.gz MDVYKHGSYLVNQN-QZTJIDSGSA-N 1 0 379.545 3.711 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1cc(C#N)cc(Cl)n1)c1ccc(Cl)cc1 ZINC001163384894 1026171115 /nfs/dbraw/zinc/17/11/15/1026171115.db2.gz CVXKVGCRAWJIRJ-INIZCTEOSA-N 1 0 379.291 3.991 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCCSCC#N)C[C@H]1c1ccccc1F ZINC000839662654 1026182246 /nfs/dbraw/zinc/18/22/46/1026182246.db2.gz LEZPMDZKYANXDN-FUHWJXTLSA-N 1 0 393.528 3.765 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ncc(C(=O)NC2CCCC2)cc1Cl ZINC001163474055 1026206900 /nfs/dbraw/zinc/20/69/00/1026206900.db2.gz ZJIYQTVDCGVYIF-UHFFFAOYSA-N 1 0 399.926 3.897 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001139392220 1026262113 /nfs/dbraw/zinc/26/21/13/1026262113.db2.gz CVRZXMKHIMNLCJ-GOTSBHOMSA-N 1 0 379.504 3.717 20 30 GHEDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139402924 1026274838 /nfs/dbraw/zinc/27/48/38/1026274838.db2.gz BEVFFZVYNCQDAM-DEOSSOPVSA-N 1 0 388.515 3.843 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCCN(C(=O)c4ccccc4)CC3)cc2)c1 ZINC001139406073 1026278383 /nfs/dbraw/zinc/27/83/83/1026278383.db2.gz LOARGROXRNBDBT-UHFFFAOYSA-N 1 0 396.494 3.968 20 30 GHEDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406287 1026278525 /nfs/dbraw/zinc/27/85/25/1026278525.db2.gz PCRFRONARFFMKE-UHFFFAOYSA-N 1 0 376.504 3.699 20 30 GHEDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139427756 1026298546 /nfs/dbraw/zinc/29/85/46/1026298546.db2.gz QOCUOWNNSLGGES-OTWHNJEPSA-N 1 0 377.444 3.519 20 30 GHEDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)o1 ZINC001139428264 1026299507 /nfs/dbraw/zinc/29/95/07/1026299507.db2.gz HPJIENBXTPKWFA-SFHVURJKSA-N 1 0 375.432 3.817 20 30 GHEDRO CC(=O)N1CC2(CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c2cc(C)ccc21 ZINC001139527442 1026384357 /nfs/dbraw/zinc/38/43/57/1026384357.db2.gz DSEIWEVJIAOOBT-UHFFFAOYSA-N 1 0 377.463 3.906 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(C#N)c(F)c4)C3)C2=O)c1 ZINC001139528314 1026387323 /nfs/dbraw/zinc/38/73/23/1026387323.db2.gz NFNYPCHMUPJTAM-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3c[nH]c4ncc(C(F)(F)F)cc34)CC2)cc1 ZINC001139538316 1026399484 /nfs/dbraw/zinc/39/94/84/1026399484.db2.gz NGEYIWCNGUNPHK-UHFFFAOYSA-N 1 0 385.393 3.776 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(Cc1cc(C)cnc1Cl)CC2 ZINC001139588149 1026450506 /nfs/dbraw/zinc/45/05/06/1026450506.db2.gz JOWGJSVQDNITLL-UHFFFAOYSA-N 1 0 386.927 3.911 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1 ZINC001139649184 1026511202 /nfs/dbraw/zinc/51/12/02/1026511202.db2.gz QTGWVKASPVENKN-OAQYLSRUSA-N 1 0 385.389 3.605 20 30 GHEDRO Cc1cccc(CO[C@H]2CO[C@@]3(CCN(Cc4cccc(Cl)c4C#N)C3)C2)n1 ZINC001139689591 1026541365 /nfs/dbraw/zinc/54/13/65/1026541365.db2.gz QPVXALKORAWQQH-KNQAVFIVSA-N 1 0 397.906 3.865 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c[nH]c3c1cccc3C#N)[C@H]2C ZINC001139701087 1026545954 /nfs/dbraw/zinc/54/59/54/1026545954.db2.gz IHEUZRWIHKCSEJ-INIZCTEOSA-N 1 0 376.508 3.653 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4c[nH]c5c4cccc5C#N)C3)C2=O)c1 ZINC001139701432 1026547134 /nfs/dbraw/zinc/54/71/34/1026547134.db2.gz LURJKCMXMIRONL-VWLOTQADSA-N 1 0 398.510 3.973 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CC3)NC(=O)C[C@@H]4c3ccccc3)c[nH]c21 ZINC001139701482 1026547374 /nfs/dbraw/zinc/54/73/74/1026547374.db2.gz NABSFHZKZXPZGF-OAQYLSRUSA-N 1 0 384.483 3.678 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001139703112 1026548203 /nfs/dbraw/zinc/54/82/03/1026548203.db2.gz JCPRVFHXLIMQQY-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO CC[N@@H+](Cc1c[nH]c2c1cccc2C#N)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001139707544 1026552294 /nfs/dbraw/zinc/55/22/94/1026552294.db2.gz JIFNZWXHUVQGBB-JOCHJYFZSA-N 1 0 388.515 3.762 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)C[C@@H]1c1ccc(F)cc1 ZINC001139707143 1026552512 /nfs/dbraw/zinc/55/25/12/1026552512.db2.gz RKORTPSCSXVGAI-UXHICEINSA-N 1 0 377.419 3.567 20 30 GHEDRO N#Cc1cc(C(F)(F)N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)cnc1Cl ZINC001165082464 1026593733 /nfs/dbraw/zinc/59/37/33/1026593733.db2.gz DLLBMLBSQKVOHE-YJBOKZPZSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165083749 1026594794 /nfs/dbraw/zinc/59/47/94/1026594794.db2.gz HSXSXKSZARQOAS-QAPCUYQASA-N 1 0 388.849 3.862 20 30 GHEDRO C[NH+]1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C[C@H]2C1 ZINC001165147428 1026634099 /nfs/dbraw/zinc/63/40/99/1026634099.db2.gz DTEDNTTYSWQOIV-HZPDHXFCSA-N 1 0 388.849 3.816 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N(Cc1cccnc1)C1CCC([NH3+])CC1 ZINC001165197380 1026658926 /nfs/dbraw/zinc/65/89/26/1026658926.db2.gz LFLDTABABIDLSJ-UHFFFAOYSA-N 1 0 391.853 3.823 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001139869210 1026683358 /nfs/dbraw/zinc/68/33/58/1026683358.db2.gz ASDBGHFQOXUZMI-QGZVFWFLSA-N 1 0 383.577 3.528 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCCCC23CC[NH2+]CC3)c1 ZINC001165339946 1026707216 /nfs/dbraw/zinc/70/72/16/1026707216.db2.gz FFBLKTYGQOTEOJ-UHFFFAOYSA-N 1 0 383.883 3.906 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC2C[NH+](Cc3ccccc3)C2)n1 ZINC001165441790 1026728339 /nfs/dbraw/zinc/72/83/39/1026728339.db2.gz CAHOEORRBBIWHE-KKCNHZNWSA-N 1 0 398.576 3.815 20 30 GHEDRO Cc1cccc(N(c2nc(Cl)c(F)cc2C#N)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165771488 1026829702 /nfs/dbraw/zinc/82/97/02/1026829702.db2.gz LTBZXXRQJXAGPM-UZLBHIALSA-N 1 0 386.858 3.713 20 30 GHEDRO C#CC1CC[NH+](Cc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001140075138 1026855132 /nfs/dbraw/zinc/85/51/32/1026855132.db2.gz HKRVGYCZUFYCKC-UHFFFAOYSA-N 1 0 383.536 3.589 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cc(C(F)(F)F)ccn3)C2)C1 ZINC001140104354 1026885441 /nfs/dbraw/zinc/88/54/41/1026885441.db2.gz LVHTXUUKAHQYJZ-GOSISDBHSA-N 1 0 383.414 3.711 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H]4[C@@H](CCN4Cc4nccs4)C3)c2c1 ZINC001140114559 1026897559 /nfs/dbraw/zinc/89/75/59/1026897559.db2.gz XHKGMRCBYAQWJX-OXJNMPFZSA-N 1 0 377.517 3.592 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c(F)c1 ZINC001140138768 1026912985 /nfs/dbraw/zinc/91/29/85/1026912985.db2.gz QZVGCPMMLLUQHW-HTZLVSCSSA-N 1 0 397.519 3.576 20 30 GHEDRO N#Cc1ccc(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c(F)c1 ZINC001140139667 1026913969 /nfs/dbraw/zinc/91/39/69/1026913969.db2.gz HSPLPECFMLPYAF-AWEZNQCLSA-N 1 0 380.345 3.550 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(F)c1 ZINC001140140186 1026914284 /nfs/dbraw/zinc/91/42/84/1026914284.db2.gz WATWEZVNYHKHIZ-LJQANCHMSA-N 1 0 377.385 3.946 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(c1cc3cc(OC)c(OC)cc3cn1)CCO2 ZINC001166370540 1026987582 /nfs/dbraw/zinc/98/75/82/1026987582.db2.gz RGOCWIOFVVJCFH-AUSIDOKSSA-N 1 0 398.503 3.830 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001461197364 1069437980 /nfs/dbraw/zinc/43/79/80/1069437980.db2.gz UQXJQOMJWYVISL-SFHVURJKSA-N 1 0 389.499 3.967 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001209758455 1027154240 /nfs/dbraw/zinc/15/42/40/1027154240.db2.gz JZRZBPVYNCGMNU-QFIPXVFZSA-N 1 0 380.492 3.687 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840087424 1027165972 /nfs/dbraw/zinc/16/59/72/1027165972.db2.gz SDZUMQZLIRRJCN-JOCHJYFZSA-N 1 0 397.592 3.951 20 30 GHEDRO CN(C)[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)c1c(F)cccc1F ZINC001461222650 1069449515 /nfs/dbraw/zinc/44/95/15/1069449515.db2.gz NTHJREXSFBBKPN-KRWDZBQOSA-N 1 0 394.263 3.991 20 30 GHEDRO N#CCOc1ccc(CC(=O)OCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000840228420 1027363183 /nfs/dbraw/zinc/36/31/83/1027363183.db2.gz PBHVJKPKMUBPGN-UHFFFAOYSA-N 1 0 378.472 3.861 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC001203639801 1027499521 /nfs/dbraw/zinc/49/95/21/1027499521.db2.gz KSZHKYINAJLGDY-OALUTQOASA-N 1 0 396.325 3.728 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001210564278 1027558345 /nfs/dbraw/zinc/55/83/45/1027558345.db2.gz SMVCFPIVHJIWHX-LJQANCHMSA-N 1 0 399.560 3.505 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)c1 ZINC001203757040 1027580177 /nfs/dbraw/zinc/58/01/77/1027580177.db2.gz HLEUWSIEBOPMQM-UHFFFAOYSA-N 1 0 386.503 3.581 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001203762995 1027585557 /nfs/dbraw/zinc/58/55/57/1027585557.db2.gz YPUVREDJJZXPFK-HSZRJFAPSA-N 1 0 379.479 3.816 20 30 GHEDRO CC(C)NC(=O)c1ccccc1OC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203904705 1027696521 /nfs/dbraw/zinc/69/65/21/1027696521.db2.gz ASMHKBNDASZUSH-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO CSc1nc(CN2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)ccc1C#N ZINC001141943560 1027722266 /nfs/dbraw/zinc/72/22/66/1027722266.db2.gz ADOJYHTUTAAKOR-UHFFFAOYSA-N 1 0 384.524 3.911 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(O)cc(OC(F)(F)F)c3)cc2C#N)CC1 ZINC001211121502 1027796826 /nfs/dbraw/zinc/79/68/26/1027796826.db2.gz AXGOFPJJQCKBMH-UHFFFAOYSA-N 1 0 392.381 3.658 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2c(C#N)cnn2-c2ccc(Br)cc2)c1 ZINC001211136382 1027805359 /nfs/dbraw/zinc/80/53/59/1027805359.db2.gz GOMMYPAAVFKRPV-UHFFFAOYSA-N 1 0 382.265 3.969 20 30 GHEDRO Cc1ccc(-c2noc([C@H](c3ccc(C#N)cc3)N3CC[NH2+]CC3)n2)c(Cl)c1 ZINC001211380007 1027931942 /nfs/dbraw/zinc/93/19/42/1027931942.db2.gz UGBHDTIIOYQMEX-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)cc1 ZINC000840959032 1027991554 /nfs/dbraw/zinc/99/15/54/1027991554.db2.gz OLWVRXORVRATQZ-LIRRHRJNSA-N 1 0 389.293 3.905 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001142065511 1028009548 /nfs/dbraw/zinc/00/95/48/1028009548.db2.gz NTHNKRAKXADVAD-HODSEKTPSA-N 1 0 386.536 3.900 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000841123078 1028175065 /nfs/dbraw/zinc/17/50/65/1028175065.db2.gz PPRCQDZRMVLVMC-SJCJKPOMSA-N 1 0 390.365 3.731 20 30 GHEDRO Cc1cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ccc1-c1ccc(Br)cc1 ZINC000841203881 1028276514 /nfs/dbraw/zinc/27/65/14/1028276514.db2.gz VGKIDEIMVARUGE-KDOFPFPSSA-N 1 0 399.292 3.658 20 30 GHEDRO CC[NH+](CC)CC[C@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)c1ccccc1 ZINC001214048321 1028522672 /nfs/dbraw/zinc/52/26/72/1028522672.db2.gz JUKPLPCFYZXTCL-NRFANRHFSA-N 1 0 385.533 3.618 20 30 GHEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461394914 1069531482 /nfs/dbraw/zinc/53/14/82/1069531482.db2.gz YHHKZSNAXRPHCZ-SJORKVTESA-N 1 0 377.533 3.685 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC001142382819 1028793773 /nfs/dbraw/zinc/79/37/73/1028793773.db2.gz RCMPZQHGQFMMBU-OUKQBFOZSA-N 1 0 376.500 3.687 20 30 GHEDRO Cc1c(Br)cncc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001461430433 1069546175 /nfs/dbraw/zinc/54/61/75/1069546175.db2.gz MIUHPESTIHMRHZ-UHFFFAOYSA-N 1 0 396.292 3.715 20 30 GHEDRO C=CCc1c(F)c(F)c(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c(F)c1F ZINC001215924516 1029459208 /nfs/dbraw/zinc/45/92/08/1029459208.db2.gz JZSDXEVLESSDRP-UHFFFAOYSA-N 1 0 390.340 3.729 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CCO[C@]4(CCCN(c5ccccc5)C4)C3)c[nH]c2c1 ZINC001142916669 1029689087 /nfs/dbraw/zinc/68/90/87/1029689087.db2.gz IJNUAOCVIYSGEV-XMMPIXPASA-N 1 0 386.499 3.911 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c[nH]c2c1 ZINC001142929014 1029710710 /nfs/dbraw/zinc/71/07/10/1029710710.db2.gz SLOTWZSIHJNETN-XMMPIXPASA-N 1 0 395.466 3.540 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(-c4ccccc4)nn3C)C2)C1 ZINC001143004704 1029772426 /nfs/dbraw/zinc/77/24/26/1029772426.db2.gz OSVLPAQCTXTYCE-HSZRJFAPSA-N 1 0 394.519 3.698 20 30 GHEDRO C=C[C@H](Cc1nc(-c2ccc(N3CCC([NH3+])CC3)nc2)no1)c1ccccc1 ZINC000843147298 1029830361 /nfs/dbraw/zinc/83/03/61/1029830361.db2.gz VPDGMODCPLBFOR-MRXNPFEDSA-N 1 0 375.476 3.571 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3scc4c3OCCO4)CC2)C1 ZINC001143178883 1029885427 /nfs/dbraw/zinc/88/54/27/1029885427.db2.gz PFVFEHFBLPBDFB-UHFFFAOYSA-N 1 0 392.521 3.520 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@H]21 ZINC001222125323 1029971786 /nfs/dbraw/zinc/97/17/86/1029971786.db2.gz DSQSJWSKHRVPMC-PKOBYXMFSA-N 1 0 380.517 3.522 20 30 GHEDRO C[NH+]1CCC(C(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC001143311378 1030016104 /nfs/dbraw/zinc/01/61/04/1030016104.db2.gz KQVXBTLYTGOQLZ-HSZRJFAPSA-N 1 0 387.527 3.687 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC001217008255 1030080552 /nfs/dbraw/zinc/08/05/52/1030080552.db2.gz OHTDZHSUNGHMOA-CHWSQXEVSA-N 1 0 384.402 3.841 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCc3ccc(C#N)cc3)cc2)C1 ZINC001222665480 1030267939 /nfs/dbraw/zinc/26/79/39/1030267939.db2.gz DRKUOXXMXJLJQQ-LJQANCHMSA-N 1 0 390.531 3.832 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3cc4cc(C#N)ccc4[nH]3)n2)CC1 ZINC001217636924 1030560255 /nfs/dbraw/zinc/56/02/55/1030560255.db2.gz QSXYNOCFQSQWDQ-UHFFFAOYSA-N 1 0 384.443 3.508 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC001223538046 1030626667 /nfs/dbraw/zinc/62/66/67/1030626667.db2.gz NNTSWQBIZBADBP-FCHUYYIVSA-N 1 0 377.488 3.506 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217952829 1030685650 /nfs/dbraw/zinc/68/56/50/1030685650.db2.gz WAUYMRHYFAKFJB-JZSMSDCPSA-N 1 0 397.494 3.789 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)c(OC)c1 ZINC001217959299 1030689153 /nfs/dbraw/zinc/68/91/53/1030689153.db2.gz BYVJNWXNLNISAL-VRKUVLAYSA-N 1 0 391.483 3.896 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@H]1CCCC[NH2+]C1 ZINC001217975937 1030700152 /nfs/dbraw/zinc/70/01/52/1030700152.db2.gz VJQKVMCONBHDAN-DBEXCURXSA-N 1 0 383.444 3.523 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217982656 1030704077 /nfs/dbraw/zinc/70/40/77/1030704077.db2.gz HVTUDOINQWJCTA-VQTJNVASSA-N 1 0 393.462 3.583 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218015734 1030724968 /nfs/dbraw/zinc/72/49/68/1030724968.db2.gz BDDOSURKOZHPLM-WVWLFWLLSA-N 1 0 397.494 3.789 20 30 GHEDRO C=CCc1c(O[C@H]2CC[NH2+][C@H](C)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218054252 1030745515 /nfs/dbraw/zinc/74/55/15/1030745515.db2.gz YHPSUAXNAPIRHY-AEFFLSMTSA-N 1 0 375.472 3.634 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(OC2CC3(C[NH2+]C3)C2)c1 ZINC001218060073 1030748837 /nfs/dbraw/zinc/74/88/37/1030748837.db2.gz WZIDDHFVMHDQIM-CMDGGOBGSA-N 1 0 379.456 3.731 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC001461703625 1069689612 /nfs/dbraw/zinc/68/96/12/1069689612.db2.gz LTMCMAGCISMSDL-KRWDZBQOSA-N 1 0 376.441 3.847 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(O[C@H]3CCC[C@]34CC[NH2+]C4)cccc1C2=O ZINC001218097479 1030770477 /nfs/dbraw/zinc/77/04/77/1030770477.db2.gz VBOKRSGYIJWKBH-GAJHUEQPSA-N 1 0 381.472 3.820 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3C[C@H]4C[C@@H]3C[NH2+]4)c2)cc1OC ZINC001218142653 1030794656 /nfs/dbraw/zinc/79/46/56/1030794656.db2.gz GAKQHCMRVODYFL-JQDPRFPVSA-N 1 0 379.456 3.729 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]1CC[NH2+][C@H]2CCO[C@@H]21 ZINC001218164403 1030803071 /nfs/dbraw/zinc/80/30/71/1030803071.db2.gz CSXQTGJPUWSYCZ-DWLFOUALSA-N 1 0 384.520 3.939 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC001218199158 1030823925 /nfs/dbraw/zinc/82/39/25/1030823925.db2.gz ARSDCDHHIZACQZ-PRHODGIISA-N 1 0 375.272 3.763 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)nc2ccc(Br)cc21 ZINC001218201241 1030825520 /nfs/dbraw/zinc/82/55/20/1030825520.db2.gz PSLWLDIBYUXVRD-AMIZOPFISA-N 1 0 386.171 3.506 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)cc2)cc1 ZINC001218246958 1030850593 /nfs/dbraw/zinc/85/05/93/1030850593.db2.gz BXMLHYPFMJJUCV-PERKRYKHSA-N 1 0 399.512 3.604 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c1C(=O)/C=C/c1ccccc1 ZINC001218251233 1030853726 /nfs/dbraw/zinc/85/37/26/1030853726.db2.gz RLFXLPKZOCMBDJ-HGBPHBNFSA-N 1 0 379.456 3.816 20 30 GHEDRO C=CCC[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001224087587 1030877544 /nfs/dbraw/zinc/87/75/44/1030877544.db2.gz VTLWBOFVJDGLNT-QFIPXVFZSA-N 1 0 384.568 3.729 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC001224096332 1030882794 /nfs/dbraw/zinc/88/27/94/1030882794.db2.gz HPAKPQDKGHYTPQ-HSZRJFAPSA-N 1 0 375.516 3.757 20 30 GHEDRO CCC(=O)[C@H]1C[C@@H](Oc2ccccc2C(=O)/C=C\c2ccccc2OC)C[NH2+]1 ZINC001218326727 1030893580 /nfs/dbraw/zinc/89/35/80/1030893580.db2.gz ZBLJEKOPMFCMNR-BJANITQPSA-N 1 0 379.456 3.680 20 30 GHEDRO CCCCCCCCC[C@H](C)Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c1=O ZINC001218355642 1030908278 /nfs/dbraw/zinc/90/82/78/1030908278.db2.gz TYMWQNZEBFSABF-HNNXBMFYSA-N 1 0 395.544 3.669 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001218403289 1030921879 /nfs/dbraw/zinc/92/18/79/1030921879.db2.gz XIWPMKXBZFEWGR-QFBILLFUSA-N 1 0 379.456 3.918 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)cc(C)c1O ZINC001276958132 1030931594 /nfs/dbraw/zinc/93/15/94/1030931594.db2.gz CUUMFLMIINDYTR-IBGZPJMESA-N 1 0 393.325 3.606 20 30 GHEDRO C=CC[C@H](Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])[nH]c1=O)c1ccc(Cl)cc1 ZINC001218443201 1030938712 /nfs/dbraw/zinc/93/87/12/1030938712.db2.gz RVYNOJINLIRPCW-ZDUSSCGKSA-N 1 0 391.855 3.512 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(O)cc(O)c1C(=O)CCc1ccc(O)cc1 ZINC001218451544 1030942178 /nfs/dbraw/zinc/94/21/78/1030942178.db2.gz FOAJNVJNLTWJNH-WIYYLYMNSA-N 1 0 397.471 3.694 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001218458880 1030945529 /nfs/dbraw/zinc/94/55/29/1030945529.db2.gz AEVQXHPGCJBSAU-RIFZZMRRSA-N 1 0 391.508 3.992 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(C#N)s2)c2ccccc2)CC1 ZINC001224305680 1030962042 /nfs/dbraw/zinc/96/20/42/1030962042.db2.gz FVKSQSCVGYJVIG-HXUWFJFHSA-N 1 0 382.533 3.892 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c(-c2ccccc2)n1 ZINC001461727553 1069705104 /nfs/dbraw/zinc/70/51/04/1069705104.db2.gz GJQHMYWIRINGRM-OAQYLSRUSA-N 1 0 394.906 3.810 20 30 GHEDRO N#Cc1ncc(NC(=O)[C@@]2(Cc3ccccc3)CCC[NH2+]C2)cc1C(F)(F)F ZINC001218659530 1031022946 /nfs/dbraw/zinc/02/29/46/1031022946.db2.gz TUVOPTGWVBPAIH-LJQANCHMSA-N 1 0 388.393 3.523 20 30 GHEDRO C#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001224761938 1031105858 /nfs/dbraw/zinc/10/58/58/1031105858.db2.gz JDBDKAJGTQIYGX-KMDXXIMOSA-N 1 0 387.527 3.768 20 30 GHEDRO C=CCCSCCNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001224762005 1031106675 /nfs/dbraw/zinc/10/66/75/1031106675.db2.gz JZKWTOAXKXCJPZ-PCCBWWKXSA-N 1 0 387.593 3.896 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)[C@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cc2s1 ZINC001218910205 1031147711 /nfs/dbraw/zinc/14/77/11/1031147711.db2.gz FMDPOTQIFLTBKP-CYBMUJFWSA-N 1 0 390.390 3.695 20 30 GHEDRO N#Cc1sc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)nc1Cl ZINC001219070072 1031240105 /nfs/dbraw/zinc/24/01/05/1031240105.db2.gz WKRXEJZTZPQCEK-UHFFFAOYSA-N 1 0 389.912 3.976 20 30 GHEDRO COc1ccc(CCCO[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1OC ZINC001225072279 1031243778 /nfs/dbraw/zinc/24/37/78/1031243778.db2.gz GZZCDSLYYLALFD-NRFANRHFSA-N 1 0 380.488 3.799 20 30 GHEDRO COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)c1 ZINC001219130995 1031265779 /nfs/dbraw/zinc/26/57/79/1031265779.db2.gz CIUVLNXSGRPDLH-QFIPXVFZSA-N 1 0 399.450 3.520 20 30 GHEDRO N#CC1CC(O[C@H]2C[N@H+](Cc3ccccc3)C3(C2)CCC2(CC3)OCCO2)C1 ZINC001225174281 1031297378 /nfs/dbraw/zinc/29/73/78/1031297378.db2.gz NBDVEPJIRWNPCP-XVAXZDLZSA-N 1 0 382.504 3.636 20 30 GHEDRO N#Cc1ccc(CN2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c(Cl)c1 ZINC001277030964 1031332634 /nfs/dbraw/zinc/33/26/34/1031332634.db2.gz PAMSVMDWYNJACS-KRWDZBQOSA-N 1 0 385.817 3.731 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1cccc(F)c1N1CCCCC1 ZINC001219298097 1031343441 /nfs/dbraw/zinc/34/34/41/1031343441.db2.gz ZTRIRADKMGAUSB-SFHVURJKSA-N 1 0 380.467 3.586 20 30 GHEDRO N#Cc1ccc(NC(=O)CC2(c3ccccc3F)CC[NH2+]CC2)c2cccnc12 ZINC001219467322 1031442057 /nfs/dbraw/zinc/44/20/57/1031442057.db2.gz HKJIDJGHHMHUBD-UHFFFAOYSA-N 1 0 388.446 3.896 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)ncc1C#N ZINC001219692372 1031558805 /nfs/dbraw/zinc/55/88/05/1031558805.db2.gz LTITWVSLXIGNDQ-HXUWFJFHSA-N 1 0 377.492 3.828 20 30 GHEDRO N#Cc1ccc(-c2ccc(C(=O)NCc3ccc4c(c3)CC[NH2+]C4)cc2)cc1F ZINC001219707447 1031568002 /nfs/dbraw/zinc/56/80/02/1031568002.db2.gz LCWOFZLCRMHBLL-UHFFFAOYSA-N 1 0 385.442 3.940 20 30 GHEDRO COc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC001219841127 1031650144 /nfs/dbraw/zinc/65/01/44/1031650144.db2.gz UEOCSFZSOJCVPK-QHCPKHFHSA-N 1 0 390.487 3.697 20 30 GHEDRO COCC[NH+]1CCC(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)CC1 ZINC001225871519 1031665216 /nfs/dbraw/zinc/66/52/16/1031665216.db2.gz RKDDAQCIUDIOKE-UHFFFAOYSA-N 1 0 375.284 3.751 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C(F)(F)F)c1 ZINC001219911313 1031689665 /nfs/dbraw/zinc/68/96/65/1031689665.db2.gz CWCMBFOQAXDZQU-WMZOPIPTSA-N 1 0 394.441 3.868 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NCc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001219930098 1031702854 /nfs/dbraw/zinc/70/28/54/1031702854.db2.gz XPDKUNPBMHVTSK-SZNDQCEHSA-N 1 0 392.890 3.530 20 30 GHEDRO C#Cc1ccc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1 ZINC001220348407 1031906324 /nfs/dbraw/zinc/90/63/24/1031906324.db2.gz ANPLODKEOKAXIS-KRWDZBQOSA-N 1 0 394.494 3.832 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc(-c2cccs2)c1 ZINC001220451369 1031947210 /nfs/dbraw/zinc/94/72/10/1031947210.db2.gz QPJYFMSXGLSWHO-RTWAWAEBSA-N 1 0 387.508 3.906 20 30 GHEDRO C#CCCCCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001461828976 1069775493 /nfs/dbraw/zinc/77/54/93/1069775493.db2.gz HFNKUUZQDYUGQK-KRWDZBQOSA-N 1 0 377.326 3.852 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC001220521028 1031973971 /nfs/dbraw/zinc/97/39/71/1031973971.db2.gz OHLIJMCZMXAQNT-NFBKMPQASA-N 1 0 398.595 3.758 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2ccc(N3CC[NH2+]CC3)cc2)n1 ZINC001205379107 1033385859 /nfs/dbraw/zinc/38/58/59/1033385859.db2.gz ZWVNJLDSLLWFJY-UHFFFAOYSA-N 1 0 378.520 3.871 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)cc(F)cc3Cl)CC2)C1=O ZINC001277374341 1033402818 /nfs/dbraw/zinc/40/28/18/1033402818.db2.gz MWDCHNVCWBBOKS-IBGZPJMESA-N 1 0 383.294 3.970 20 30 GHEDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001229385980 1033453596 /nfs/dbraw/zinc/45/35/96/1033453596.db2.gz WOLNVHZRKNCQSD-WZGTUUFSSA-O 1 0 382.528 3.794 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001157390795 1033565614 /nfs/dbraw/zinc/56/56/14/1033565614.db2.gz TWXZXVKJSFBEOM-FQEVSTJZSA-N 1 0 384.911 3.823 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCC[C@]12CCC[NH2+]C2 ZINC001157467636 1033605880 /nfs/dbraw/zinc/60/58/80/1033605880.db2.gz HNOXGSMUXIBVID-OAHLLOKOSA-N 1 0 375.250 3.917 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCCC[C@@]12CCC[NH2+]C2 ZINC001157475116 1033610214 /nfs/dbraw/zinc/61/02/14/1033610214.db2.gz ABOSHZXOZJFEKA-FQEVSTJZSA-N 1 0 383.883 3.906 20 30 GHEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC001205998013 1033677566 /nfs/dbraw/zinc/67/75/66/1033677566.db2.gz HBYJVRLQXPBRER-NRFANRHFSA-N 1 0 382.508 3.976 20 30 GHEDRO Cc1nc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c(C#N)cc1-c1ccc2nccn2c1 ZINC001229768650 1033699374 /nfs/dbraw/zinc/69/93/74/1033699374.db2.gz NVOLAPULEPWRFZ-OPMZPASUSA-N 1 0 387.487 3.686 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(Br)ccc2OCOC)no1 ZINC001206100006 1033719045 /nfs/dbraw/zinc/71/90/45/1033719045.db2.gz IGVYIEYXPUPRPI-UHFFFAOYSA-N 1 0 394.269 3.591 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@H]2C1 ZINC001157700504 1033730706 /nfs/dbraw/zinc/73/07/06/1033730706.db2.gz RHZXBAITJYJNBV-HZPDHXFCSA-N 1 0 383.883 3.572 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001206194025 1033759734 /nfs/dbraw/zinc/75/97/34/1033759734.db2.gz CJLVZQJCVABVOD-AWEZNQCLSA-N 1 0 382.302 3.620 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)c(C)cc1O ZINC001277427386 1033768473 /nfs/dbraw/zinc/76/84/73/1033768473.db2.gz RNZDMTGYAMJCFR-IBGZPJMESA-N 1 0 393.325 3.606 20 30 GHEDRO COc1ccc(CN(c2nc(C)c(C#N)cc2Cl)C2CC[NH2+]CC2)cc1F ZINC001158010595 1033867294 /nfs/dbraw/zinc/86/72/94/1033867294.db2.gz MSKWTNUHKVKJKQ-UHFFFAOYSA-N 1 0 388.874 3.821 20 30 GHEDRO N#Cc1ccc([C@H]([NH3+])CC(=O)N2CCC3(CNc4ccc(Cl)cc43)CC2)cc1 ZINC001158064012 1033898619 /nfs/dbraw/zinc/89/86/19/1033898619.db2.gz FZDMYQHGTBITFD-LJQANCHMSA-N 1 0 394.906 3.587 20 30 GHEDRO COc1ccnc(N(c2nc(C#N)c(Cl)cc2Cl)C2CC[NH2+]CC2)c1 ZINC001158325424 1034023962 /nfs/dbraw/zinc/02/39/62/1034023962.db2.gz OFHWFECYLVGFPD-UHFFFAOYSA-N 1 0 378.263 3.554 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3ccccc3OC(F)(F)F)CC2)cc1C#N ZINC001207103277 1034094230 /nfs/dbraw/zinc/09/42/30/1034094230.db2.gz SKKJWUSPRJVFCO-UHFFFAOYSA-N 1 0 379.382 3.839 20 30 GHEDRO COCCO[C@@H]1CCC2(CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c2ccccc21 ZINC001207104933 1034095154 /nfs/dbraw/zinc/09/51/54/1034095154.db2.gz LDWLUJQOWFIEAT-HSZRJFAPSA-N 1 0 393.531 3.928 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)C1 ZINC001207213978 1034180601 /nfs/dbraw/zinc/18/06/01/1034180601.db2.gz GWYUEGOJGXKEIZ-HKUYNNGSSA-N 1 0 385.508 3.658 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3Br)C2)C1=O ZINC001276519064 1034226189 /nfs/dbraw/zinc/22/61/89/1034226189.db2.gz UEQYMEZFQMMWGZ-NRFANRHFSA-N 1 0 397.316 3.660 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)cc(Br)cc1C ZINC001277467373 1034252001 /nfs/dbraw/zinc/25/20/01/1034252001.db2.gz RFGLTNPAHCRVCL-QZTJIDSGSA-N 1 0 377.326 3.817 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)cc1CC ZINC001277474722 1034311937 /nfs/dbraw/zinc/31/19/37/1034311937.db2.gz QSUHZDHLMBVGRR-QZTJIDSGSA-N 1 0 377.326 3.763 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[NH2+]C4(CC4)C3)cc2c1Cl ZINC001158943650 1034352370 /nfs/dbraw/zinc/35/23/70/1034352370.db2.gz BBVXHFQUUVEGFP-UHFFFAOYSA-N 1 0 383.229 3.900 20 30 GHEDRO CCOC(=O)c1cnc(Cl)c(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1Cl ZINC001159166632 1034462469 /nfs/dbraw/zinc/46/24/69/1034462469.db2.gz CQUDGGGVWATHIG-UHFFFAOYSA-N 1 0 391.258 3.867 20 30 GHEDRO C=CCOC(=O)c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001231302469 1034508020 /nfs/dbraw/zinc/50/80/20/1034508020.db2.gz ITHDNGFPUFEZGG-QFIPXVFZSA-N 1 0 381.472 3.699 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[NH+]3CCC(Cc4ccc(C#N)cc4)CC3)[C@H]2C1 ZINC001207777898 1034572260 /nfs/dbraw/zinc/57/22/60/1034572260.db2.gz OYSGEQODXHJRRC-DKUWSORSSA-N 1 0 395.547 3.926 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159652155 1034702888 /nfs/dbraw/zinc/70/28/88/1034702888.db2.gz RJCHFTVJFALBNQ-INIZCTEOSA-N 1 0 390.865 3.953 20 30 GHEDRO C(#Cc1ccccc1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1)c1ccccc1 ZINC001231576911 1034728416 /nfs/dbraw/zinc/72/84/16/1034728416.db2.gz KDBZTQZPULLGEK-VWLOTQADSA-N 1 0 380.495 3.731 20 30 GHEDRO Cc1cc(NC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)ncc1C#N ZINC001208085273 1034728906 /nfs/dbraw/zinc/72/89/06/1034728906.db2.gz FXTWUSHXEAXHMM-MRXNPFEDSA-N 1 0 391.397 3.705 20 30 GHEDRO N#Cc1cc(Nc2ccc(C(F)(F)F)nc2Cl)ccc1N1CC[NH2+]CC1 ZINC001159748655 1034730822 /nfs/dbraw/zinc/73/08/22/1034730822.db2.gz HAWKTLOHSULJOQ-UHFFFAOYSA-N 1 0 381.789 3.779 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001231619998 1034777136 /nfs/dbraw/zinc/77/71/36/1034777136.db2.gz VIPYVOBCXSXZFL-NRFANRHFSA-N 1 0 381.501 3.647 20 30 GHEDRO COc1cc(C#N)ccc1CN1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001231621899 1034780098 /nfs/dbraw/zinc/78/00/98/1034780098.db2.gz LUFATUVUOUERBD-FQEVSTJZSA-N 1 0 389.421 3.816 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCOC)[C@@H]2CC)c1 ZINC001231623043 1034782811 /nfs/dbraw/zinc/78/28/11/1034782811.db2.gz RHRCEOGNJDMABL-GMAHTHKFSA-N 1 0 386.536 3.633 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(C[C@@H](NC(=O)NC)c4cc(C)ccc43)CC2)c1 ZINC001231657815 1034814389 /nfs/dbraw/zinc/81/43/89/1034814389.db2.gz UZXUQVKKFSVYGX-HSZRJFAPSA-N 1 0 387.527 3.884 20 30 GHEDRO Cc1c[nH]c2nc(Cl)nc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c12 ZINC001160100415 1034859009 /nfs/dbraw/zinc/85/90/09/1034859009.db2.gz ATRUSCCVSBKOGP-UHFFFAOYSA-N 1 0 380.883 3.890 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3c2CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001160100170 1034859271 /nfs/dbraw/zinc/85/92/71/1034859271.db2.gz UULMGFUBQJTFJZ-UHFFFAOYSA-N 1 0 381.911 3.979 20 30 GHEDRO CCOC(=O)c1ccc(C)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001160100278 1034859515 /nfs/dbraw/zinc/85/95/15/1034859515.db2.gz XAFHFJIFFBBJAF-UHFFFAOYSA-N 1 0 378.476 3.537 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)cc1 ZINC001231818276 1034927222 /nfs/dbraw/zinc/92/72/22/1034927222.db2.gz WDYLQVXHOKOCRN-OAHLLOKOSA-N 1 0 393.413 3.818 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)cc1 ZINC001231819665 1034927541 /nfs/dbraw/zinc/92/75/41/1034927541.db2.gz QMNDLNQEJGTHRW-CTNGQTDRSA-N 1 0 395.576 3.589 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC001231820605 1034928419 /nfs/dbraw/zinc/92/84/19/1034928419.db2.gz PWIJPXKZVQGTBU-IBGZPJMESA-N 1 0 386.540 3.916 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)cc1 ZINC001231820795 1034929449 /nfs/dbraw/zinc/92/94/49/1034929449.db2.gz UERKZBJCDPSKFL-DHIUTWEWSA-N 1 0 390.531 3.660 20 30 GHEDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231822177 1034930465 /nfs/dbraw/zinc/93/04/65/1034930465.db2.gz WKWOAZVTAMJAIX-OAQYLSRUSA-N 1 0 383.536 3.982 20 30 GHEDRO C[C@@H](C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1)OCc1ccccc1 ZINC001208704569 1034986639 /nfs/dbraw/zinc/98/66/39/1034986639.db2.gz NHUIISHISFSHRD-SFHVURJKSA-N 1 0 392.503 3.749 20 30 GHEDRO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(CCC#N)cc2)[NH+]2CCCC2)cc1 ZINC001208731422 1034992459 /nfs/dbraw/zinc/99/24/59/1034992459.db2.gz QWNGDLJCCJPCIW-JOCHJYFZSA-N 1 0 397.544 3.567 20 30 GHEDRO N#Cc1cc(C#N)c(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])nc1Cl ZINC001160632395 1035020564 /nfs/dbraw/zinc/02/05/64/1035020564.db2.gz CXQKXORUPGKIRM-JSRAGOMMSA-N 1 0 397.869 3.877 20 30 GHEDRO COc1cc(C(F)(F)N(Cc2ccccc2)C[C@@H](C)C[NH3+])c(C#N)c(Cl)n1 ZINC001160665415 1035029024 /nfs/dbraw/zinc/02/90/24/1035029024.db2.gz KUDDSIZPGRTSSY-ZDUSSCGKSA-N 1 0 394.853 3.762 20 30 GHEDRO N#CCN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001160667913 1035029466 /nfs/dbraw/zinc/02/94/66/1035029466.db2.gz NTUVVBKIVXMARZ-MOPGFXCFSA-N 1 0 387.405 3.561 20 30 GHEDRO C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)N(CCC#N)CCC#N ZINC001160751737 1035056263 /nfs/dbraw/zinc/05/62/63/1035056263.db2.gz YVOHOWYVUAEBQK-CVDCTZTESA-N 1 0 388.515 3.906 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](CCCc4cccc(C#N)c4)C3)C2=O)c1 ZINC001208849873 1035057061 /nfs/dbraw/zinc/05/70/61/1035057061.db2.gz OOOKAPRVQDLOJZ-VWLOTQADSA-N 1 0 387.527 3.924 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)c1 ZINC001208850104 1035057079 /nfs/dbraw/zinc/05/70/79/1035057079.db2.gz XFVDGZBMJLZGLI-XMMPIXPASA-N 1 0 388.515 3.543 20 30 GHEDRO N#Cc1ccc2ncnc(-n3cc(C[NH3+])c4ccc(Br)cc43)c2c1 ZINC001160756718 1035058013 /nfs/dbraw/zinc/05/80/13/1035058013.db2.gz CREXSQFNCMEPFU-UHFFFAOYSA-N 1 0 378.233 3.667 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1 ZINC001208859320 1035062418 /nfs/dbraw/zinc/06/24/18/1035062418.db2.gz PHMVAZCHAPRWDY-LADGPHEKSA-N 1 0 391.515 3.836 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)cc1 ZINC001208858543 1035062702 /nfs/dbraw/zinc/06/27/02/1035062702.db2.gz HPZXRCCZCINXCW-WXFUMESZSA-N 1 0 391.515 3.725 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnc3ccccc3c2Br)CC1 ZINC001208895267 1035079337 /nfs/dbraw/zinc/07/93/37/1035079337.db2.gz OOHXXCGGGRHKKJ-UHFFFAOYSA-N 1 0 389.297 3.769 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)cc1 ZINC001208921953 1035090304 /nfs/dbraw/zinc/09/03/04/1035090304.db2.gz AJLXKVAIDLQOMZ-LADGPHEKSA-N 1 0 391.515 3.584 20 30 GHEDRO CCCNC(=O)c1ccccc1OC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208928651 1035093155 /nfs/dbraw/zinc/09/31/55/1035093155.db2.gz JMZDAYXFDVRLEF-UHFFFAOYSA-N 1 0 391.515 3.784 20 30 GHEDRO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208927358 1035093246 /nfs/dbraw/zinc/09/32/46/1035093246.db2.gz YNDWZCLBVBPCCT-HSZRJFAPSA-N 1 0 387.527 3.971 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]12 ZINC001232114105 1035102288 /nfs/dbraw/zinc/10/22/88/1035102288.db2.gz DBSIVDOMLPIZCW-GOTSBHOMSA-N 1 0 393.918 3.976 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001160951049 1035103491 /nfs/dbraw/zinc/10/34/91/1035103491.db2.gz JCUBVXQMMCUVLU-CRDAUSSMSA-N 1 0 391.515 3.526 20 30 GHEDRO N#Cc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001232114706 1035103674 /nfs/dbraw/zinc/10/36/74/1035103674.db2.gz RWVAMNUIRGPCMY-QUCCMNQESA-N 1 0 385.870 3.688 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(F)(F)c1nc(Cl)c2cc(OC)ccc2n1 ZINC001160957890 1035105652 /nfs/dbraw/zinc/10/56/52/1035105652.db2.gz XCXLZYHLPRIUQH-LBPRGKRZSA-N 1 0 382.842 3.581 20 30 GHEDRO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ncccc3Br)C2)C1=O ZINC001277619766 1035126573 /nfs/dbraw/zinc/12/65/73/1035126573.db2.gz UPOHIBRRZPHUJH-FQEVSTJZSA-N 1 0 398.304 3.520 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@H](CC[NH+]2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001209057131 1035159619 /nfs/dbraw/zinc/15/96/19/1035159619.db2.gz ZQJSZNSVPRRIFI-HXUWFJFHSA-N 1 0 399.535 3.570 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@H](CC[NH+]2CCC(C#Cc3ccccc3)CC2)C1 ZINC001209068461 1035162439 /nfs/dbraw/zinc/16/24/39/1035162439.db2.gz BRNUSSRELFPNFU-JOCHJYFZSA-N 1 0 398.547 3.776 20 30 GHEDRO CCCCCCCCCCN(C)C(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001161228557 1035185553 /nfs/dbraw/zinc/18/55/53/1035185553.db2.gz YBLLDPZFYQCYRM-LEWJYISDSA-N 1 0 385.552 3.698 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC001161337339 1035210701 /nfs/dbraw/zinc/21/07/01/1035210701.db2.gz ZSFUYPATPNHSOZ-UHFFFAOYSA-N 1 0 390.281 3.723 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001209443500 1035275171 /nfs/dbraw/zinc/27/51/71/1035275171.db2.gz UAARUYWUYWOJJA-VAMGGRTRSA-N 1 0 386.540 3.526 20 30 GHEDRO Cc1cccc2c(C[N@@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c[nH]c21 ZINC001209490677 1035290862 /nfs/dbraw/zinc/29/08/62/1035290862.db2.gz ORGGCEPJNDVSCB-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(C#N)c4ccccc34)no2)c1 ZINC001248156401 1035582869 /nfs/dbraw/zinc/58/28/69/1035582869.db2.gz WLVXBOOIPCEPMV-GOSISDBHSA-N 1 0 379.423 3.746 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(C#N)c4ccccc34)no2)cc1 ZINC001248160009 1035587529 /nfs/dbraw/zinc/58/75/29/1035587529.db2.gz ZYQCJFGCFDAGOS-SFHVURJKSA-N 1 0 379.423 3.746 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(-c2cccc(-n3cc[nH+]c3N)c2)cc1 ZINC001242180450 1035854959 /nfs/dbraw/zinc/85/49/59/1035854959.db2.gz SLDNBCYTAHWXBE-UHFFFAOYSA-N 1 0 385.489 3.873 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)cn3ccnc13)C2 ZINC001248439836 1035857139 /nfs/dbraw/zinc/85/71/39/1035857139.db2.gz LSBDZHBJPBERTL-ICSRJNTNSA-N 1 0 375.900 3.561 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001248473935 1035901246 /nfs/dbraw/zinc/90/12/46/1035901246.db2.gz VECPJLXPDWVLKF-UNMCSNQZSA-N 1 0 380.536 3.889 20 30 GHEDRO C[C@H]1CC(=O)C=C(c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)C1 ZINC001242740853 1035952875 /nfs/dbraw/zinc/95/28/75/1035952875.db2.gz TVFFCKSSGSIJEP-NVXWUHKLSA-N 1 0 378.476 3.579 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001248751326 1036109977 /nfs/dbraw/zinc/10/99/77/1036109977.db2.gz SMFARHVNNSEVOU-LADGPHEKSA-N 1 0 391.515 3.966 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(-c3ccn(C)n3)cc1)C2 ZINC001248764575 1036123409 /nfs/dbraw/zinc/12/34/09/1036123409.db2.gz YLEOCAJHPGXICM-HSZRJFAPSA-N 1 0 378.520 3.620 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c4cc[nH]c43)CC2)cc1 ZINC001248819093 1036181575 /nfs/dbraw/zinc/18/15/75/1036181575.db2.gz LVPOYKIURZULSV-UHFFFAOYSA-N 1 0 391.450 3.965 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001462110826 1069999727 /nfs/dbraw/zinc/99/97/27/1069999727.db2.gz DZAANLUXZYSEIK-FQEVSTJZSA-N 1 0 377.488 3.741 20 30 GHEDRO C[C@H](NC(=S)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001245543160 1036949693 /nfs/dbraw/zinc/94/96/93/1036949693.db2.gz WDCQQTCDUVXNLG-KRWDZBQOSA-N 1 0 378.545 3.748 20 30 GHEDRO CCCCCCCCCCCC[N@@H+]1CC[C@H]2CN(S(=O)(=O)N(C)C)C[C@H]21 ZINC001278420220 1037031696 /nfs/dbraw/zinc/03/16/96/1037031696.db2.gz JNAVKAATBMANHD-VQTJNVASSA-N 1 0 387.634 3.720 20 30 GHEDRO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001245976290 1037101294 /nfs/dbraw/zinc/10/12/94/1037101294.db2.gz USKZFVQSOUAVOO-VHSXEESVSA-N 1 0 396.306 3.605 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN[C@H]1CCC[NH2+]C1 ZINC001245979822 1037104022 /nfs/dbraw/zinc/10/40/22/1037104022.db2.gz KYAZZFPKXDRFJY-FCHUYYIVSA-N 1 0 386.621 3.643 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246036009 1037151566 /nfs/dbraw/zinc/15/15/66/1037151566.db2.gz VWIIGSVCUVFRKK-ZRBLBEILSA-N 1 0 398.632 3.738 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@H]3C[NH2+]Cc4cccn4C3)n2)c(C#N)c1 ZINC001247099681 1037916104 /nfs/dbraw/zinc/91/61/04/1037916104.db2.gz QQKDJOYLUPDKTH-HNNXBMFYSA-N 1 0 375.476 3.669 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cc(C#N)ccn3)C[C@@H]2c2ccccc21 ZINC001232477926 1038260558 /nfs/dbraw/zinc/26/05/58/1038260558.db2.gz QDBTWIROGGSLHT-XLIONFOSSA-N 1 0 390.487 3.924 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(-n4cccn4)cc3Cl)C2)C1=O ZINC001232595551 1038370063 /nfs/dbraw/zinc/37/00/63/1038370063.db2.gz CLSYFEWVFOLBGE-OAQYLSRUSA-N 1 0 384.911 3.526 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001232605713 1038386576 /nfs/dbraw/zinc/38/65/76/1038386576.db2.gz FLOXYLQLTQWAMF-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001232608039 1038393555 /nfs/dbraw/zinc/39/35/55/1038393555.db2.gz UAEGLTHWPPYTBE-PZJWPPBQSA-N 1 0 385.870 3.688 20 30 GHEDRO C[NH2+][C@@H](Cc1ccccc1)c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001247824807 1038408877 /nfs/dbraw/zinc/40/88/77/1038408877.db2.gz CYMUEGMKQBPFJL-INIZCTEOSA-N 1 0 383.249 3.874 20 30 GHEDRO N#Cc1cccc(-c2noc(C[C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)n2)c1 ZINC001247889973 1038459900 /nfs/dbraw/zinc/45/99/00/1038459900.db2.gz ZDXYXJRRLUTJLQ-GOSISDBHSA-N 1 0 386.455 3.839 20 30 GHEDRO C=CC[C@H](N)c1nc(-c2cc(I)ccc2Cl)no1 ZINC001247967444 1038517269 /nfs/dbraw/zinc/51/72/69/1038517269.db2.gz MDUFQKPBMQOEDJ-JTQLQIEISA-N 1 0 375.597 3.571 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC001232723761 1038518906 /nfs/dbraw/zinc/51/89/06/1038518906.db2.gz VERLIGVFGLTDAD-GOSISDBHSA-N 1 0 389.496 3.910 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc(COC4CC[NH2+]CC4)n3)cc2)cc1 ZINC001248075530 1038569993 /nfs/dbraw/zinc/56/99/93/1038569993.db2.gz RZDWRNWQBXCTQY-UHFFFAOYSA-N 1 0 376.416 3.669 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001232820093 1038574575 /nfs/dbraw/zinc/57/45/75/1038574575.db2.gz HKYXOEFCNSEDJG-AZUAARDMSA-N 1 0 375.900 3.790 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)c(C)cc1OC)C2 ZINC001232830622 1038583756 /nfs/dbraw/zinc/58/37/56/1038583756.db2.gz OAUCVVCHOIVSPB-YADHBBJMSA-N 1 0 375.509 3.586 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)s1 ZINC001232843599 1038594679 /nfs/dbraw/zinc/59/46/79/1038594679.db2.gz RVKQKFXNUBUYGS-UHFFFAOYSA-N 1 0 383.492 3.916 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3cc(F)ccc3C#N)C1)C2 ZINC001232892944 1038685251 /nfs/dbraw/zinc/68/52/51/1038685251.db2.gz JUKSRYHSQKNIHM-AUSIDOKSSA-N 1 0 378.447 3.792 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccccc4-n4cccc4)C3)CC2=O)c1 ZINC001232909497 1038706477 /nfs/dbraw/zinc/70/64/77/1038706477.db2.gz IJCYCSXIFZVFFM-RUZDIDTESA-N 1 0 396.494 3.978 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCOCC3)C2)c(C#N)c1 ZINC001232966987 1038741251 /nfs/dbraw/zinc/74/12/51/1038741251.db2.gz ZCKOFPKOBIJRBQ-RPWUZVMVSA-N 1 0 398.547 3.681 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001233081117 1038846927 /nfs/dbraw/zinc/84/69/27/1038846927.db2.gz OUWCYBHNZNJMQA-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001233081048 1038847945 /nfs/dbraw/zinc/84/79/45/1038847945.db2.gz MJIXCERERGCPLE-FYYLOGMGSA-N 1 0 395.478 3.851 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001233081281 1038850796 /nfs/dbraw/zinc/85/07/96/1038850796.db2.gz TZTAVADIAQNFCO-DNVJHFABSA-N 1 0 377.488 3.600 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001233081651 1038850885 /nfs/dbraw/zinc/85/08/85/1038850885.db2.gz KKDWMGUQYXKNPP-XZOQPEGZSA-N 1 0 377.488 3.602 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)c1ncc(C)n1CCN2C ZINC001252127508 1038878879 /nfs/dbraw/zinc/87/88/79/1038878879.db2.gz ANIDLXHNVZQALU-HXUWFJFHSA-N 1 0 376.589 3.540 20 30 GHEDRO CCCCCCCC[C@@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(OC)c1 ZINC001252131004 1038883027 /nfs/dbraw/zinc/88/30/27/1038883027.db2.gz DCFJMGUUWMXRGO-HXUWFJFHSA-N 1 0 377.573 3.970 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(N2CCCCS2(=O)=O)c1 ZINC001252138986 1038889514 /nfs/dbraw/zinc/88/95/14/1038889514.db2.gz IBAQWUKUTZRVNJ-OAQYLSRUSA-N 1 0 396.597 3.818 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)cc(C)c1O)C2 ZINC001233111085 1038902157 /nfs/dbraw/zinc/90/21/57/1038902157.db2.gz ZMKNSTZZOMFQCU-HKUYNNGSSA-N 1 0 396.325 3.789 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)cnc3OC(C)C)C2)C1=O ZINC001233163888 1038936317 /nfs/dbraw/zinc/93/63/17/1038936317.db2.gz OBXUYIRCUNFOEK-FQEVSTJZSA-N 1 0 377.916 3.523 20 30 GHEDRO CCC1CCC([NH2+]C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001252333414 1038945665 /nfs/dbraw/zinc/94/56/65/1038945665.db2.gz CIKKSPCEWXYHNJ-XBMPDCEQSA-N 1 0 397.441 3.825 20 30 GHEDRO CCCCC[C@@H](C)[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340704 1038947516 /nfs/dbraw/zinc/94/75/16/1038947516.db2.gz SQCKOYCAXOYAEW-ACJLOTCBSA-N 1 0 385.430 3.825 20 30 GHEDRO C=CCOC[C@@H](O)CNc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001252483177 1039002126 /nfs/dbraw/zinc/00/21/26/1039002126.db2.gz NQNBLODQOFDQKM-HNNXBMFYSA-N 1 0 375.428 3.541 20 30 GHEDRO C=C[C@@](C)(O)C[N@@H+]1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001252561010 1039033433 /nfs/dbraw/zinc/03/34/33/1039033433.db2.gz XRALKFQKSBQAJN-RUZDIDTESA-N 1 0 394.559 3.737 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC001252619139 1039050457 /nfs/dbraw/zinc/05/04/57/1039050457.db2.gz BKOOQTYARWQLOV-MJGOQNOKSA-N 1 0 395.478 3.893 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)c(OC)cc1F)CC2 ZINC001233340704 1039147985 /nfs/dbraw/zinc/14/79/85/1039147985.db2.gz NZXNSYLRYIQVKO-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1 ZINC001233388101 1039212622 /nfs/dbraw/zinc/21/26/22/1039212622.db2.gz LQGUJNCPXSLDRB-LJQANCHMSA-N 1 0 375.394 3.513 20 30 GHEDRO N#Cc1cc(OC(F)(F)F)ccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252937051 1039276949 /nfs/dbraw/zinc/27/69/49/1039276949.db2.gz CWUDTJVBTBUXDF-IBGZPJMESA-N 1 0 391.393 3.506 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)C2 ZINC001233431294 1039304138 /nfs/dbraw/zinc/30/41/38/1039304138.db2.gz RSCPUYCNZHFJHS-SIKLNZKXSA-N 1 0 390.524 3.845 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC1)OCCN2C(C)=O ZINC001252979639 1039308612 /nfs/dbraw/zinc/30/86/12/1039308612.db2.gz LXWBRAFYIAJUFO-BDTNDASRSA-N 1 0 382.589 3.590 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C(F)(F)F)cc1O)CCO2 ZINC001233453382 1039339434 /nfs/dbraw/zinc/33/94/34/1039339434.db2.gz FFGHVANOYJCZBT-PKOBYXMFSA-N 1 0 385.426 3.985 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(CCOC)cc1 ZINC001253073357 1039402358 /nfs/dbraw/zinc/40/23/58/1039402358.db2.gz QIPJAKIHSMCUHM-UYAOXDASSA-N 1 0 385.504 3.531 20 30 GHEDRO COc1cc(OC2CCN(c3cc[nH+]cc3)CC2)c2c(c1)C(=O)C=C(Cl)C2=O ZINC001233517201 1039405675 /nfs/dbraw/zinc/40/56/75/1039405675.db2.gz GBZXWCSJHCPCEP-UHFFFAOYSA-N 1 0 398.846 3.640 20 30 GHEDRO [NH2+]=C(NC[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2)c1ncc[nH]1 ZINC001253082953 1039409864 /nfs/dbraw/zinc/40/98/64/1039409864.db2.gz LJRYPDVAEPSKPX-MRXNPFEDSA-N 1 0 387.270 3.727 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001253234421 1039487432 /nfs/dbraw/zinc/48/74/32/1039487432.db2.gz AYSRFIIDGLOJSR-IRLDBZIGSA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC001253236734 1039493295 /nfs/dbraw/zinc/49/32/95/1039493295.db2.gz GCZPNTZVDLAYSL-UFYCRDLUSA-N 1 0 376.566 3.639 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001253237921 1039494419 /nfs/dbraw/zinc/49/44/19/1039494419.db2.gz OQMKVKFSGWWKBG-KZKAQZJJSA-N 1 0 388.552 3.970 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2C)CC1 ZINC001253238869 1039496898 /nfs/dbraw/zinc/49/68/98/1039496898.db2.gz UEQGAZUHYAOLHX-YADHBBJMSA-N 1 0 399.579 3.749 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc(OCC2CCOCC2)nc1 ZINC001253253018 1039504382 /nfs/dbraw/zinc/50/43/82/1039504382.db2.gz BIAKAAJFQPXCNU-OAQYLSRUSA-N 1 0 376.541 3.864 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001253254623 1039505596 /nfs/dbraw/zinc/50/55/96/1039505596.db2.gz DAYAWZIQKPTEEO-NRFANRHFSA-N 1 0 376.516 3.907 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)CCOCc2ccccc2)c(C(F)(F)F)c1 ZINC001253302398 1039547814 /nfs/dbraw/zinc/54/78/14/1039547814.db2.gz QTPNACRMFIDYBD-SFHVURJKSA-N 1 0 378.394 3.634 20 30 GHEDRO COC1=CC(=O)C(C(=O)C=Cc2ccccc2)C(O[C@H](CC#N)C[N+](C)(C)C)=C1 ZINC001233815570 1039637970 /nfs/dbraw/zinc/63/79/70/1039637970.db2.gz BCJRTQLPXFIGGF-DOJUMQAQSA-O 1 0 395.479 3.514 20 30 GHEDRO CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[NH+]1CCN(CCC#N)CC1 ZINC001253496361 1039678529 /nfs/dbraw/zinc/67/85/29/1039678529.db2.gz URMVZBVNXSAGGQ-NRFANRHFSA-N 1 0 377.960 3.581 20 30 GHEDRO C=C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC001253583868 1039709819 /nfs/dbraw/zinc/70/98/19/1039709819.db2.gz AMODIBBHDGXQCT-QFUCXCTJSA-N 1 0 399.462 3.586 20 30 GHEDRO C=C[C@@H](O)C[N@@H+](Cc1cc(C)cc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253588638 1039711803 /nfs/dbraw/zinc/71/18/03/1039711803.db2.gz YWWKSEOYADTVFG-HXUWFJFHSA-N 1 0 392.515 3.883 20 30 GHEDRO C=C[C@@H](O)C[NH2+]CC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1 ZINC001253605436 1039716870 /nfs/dbraw/zinc/71/68/70/1039716870.db2.gz SNICPYQDMNWYHB-JOCHJYFZSA-N 1 0 388.515 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H](C)CCO ZINC001253613898 1039722993 /nfs/dbraw/zinc/72/29/93/1039722993.db2.gz FWJFWQGVHGXUAF-RTWAWAEBSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001253614043 1039723140 /nfs/dbraw/zinc/72/31/40/1039723140.db2.gz HNBDONNIPLJPLY-FGZHOGPDSA-N 1 0 387.605 3.928 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCCCO ZINC001253616291 1039727570 /nfs/dbraw/zinc/72/75/70/1039727570.db2.gz ROQUBULUCIGHFM-NRFANRHFSA-N 1 0 375.594 3.664 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC[C@@H](C)O ZINC001253616777 1039728320 /nfs/dbraw/zinc/72/83/20/1039728320.db2.gz IFUYISMIGCRRIK-RTWAWAEBSA-N 1 0 375.594 3.662 20 30 GHEDRO COc1ccc(/C=C\C(=O)c2ccccc2O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001234078900 1039819457 /nfs/dbraw/zinc/81/94/57/1039819457.db2.gz FLVNMYCGYSHFJH-IRGCTDGRSA-N 1 0 391.467 3.774 20 30 GHEDRO COc1ccccc1/C=C\C(=O)c1ccccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001234090547 1039829149 /nfs/dbraw/zinc/82/91/49/1039829149.db2.gz UFFKAFBFFZZHRM-AKTIEEGHSA-N 1 0 391.467 3.774 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](C[C@H](O)C(c2ccccc2)c2ccccc2)CC1 ZINC001253914706 1039898163 /nfs/dbraw/zinc/89/81/63/1039898163.db2.gz NQHPVFBVIRDIPA-VWLOTQADSA-N 1 0 397.522 3.873 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001253981809 1039933802 /nfs/dbraw/zinc/93/38/02/1039933802.db2.gz RSAPDIRELDEMHD-UHFFFAOYSA-N 1 0 380.511 3.861 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@@H](O)CNC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001254015117 1039955391 /nfs/dbraw/zinc/95/53/91/1039955391.db2.gz YCKVAOWSUMLBHH-INIZCTEOSA-N 1 0 396.409 3.638 20 30 GHEDRO C[C@](C#N)(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC001254050778 1039975457 /nfs/dbraw/zinc/97/54/57/1039975457.db2.gz QJTDDJASXVATLN-OAQYLSRUSA-N 1 0 383.923 3.695 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(C)(C)C)o1 ZINC001254263115 1040109159 /nfs/dbraw/zinc/10/91/59/1040109159.db2.gz MXFCYLHICAKUDR-UHFFFAOYSA-N 1 0 382.508 3.722 20 30 GHEDRO CCOC(=O)c1ccnc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)c1 ZINC001254345302 1040178243 /nfs/dbraw/zinc/17/82/43/1040178243.db2.gz WMUIJLJTOZEGSA-UHFFFAOYSA-N 1 0 381.451 3.891 20 30 GHEDRO COC[C@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)[C@@H](O)c1ccccc1 ZINC001254349030 1040181771 /nfs/dbraw/zinc/18/17/71/1040181771.db2.gz HKMWIMAECJJYHZ-NULCOVKLSA-N 1 0 382.479 3.868 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCN(Cc3ccncc3)C2)CC1 ZINC001254350303 1040183182 /nfs/dbraw/zinc/18/31/82/1040183182.db2.gz ZVDDUYURWZKQHK-KOENEWCDSA-N 1 0 378.495 3.789 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC2CCN(c3ncccn3)CC2)CC1 ZINC001254351317 1040184688 /nfs/dbraw/zinc/18/46/88/1040184688.db2.gz WAHAQAVYFKMUFA-UHFFFAOYSA-N 1 0 393.510 3.826 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(Cc3ccncc3)CC2)CC1 ZINC001254355733 1040188631 /nfs/dbraw/zinc/18/86/31/1040188631.db2.gz JNFTXDGHGRIHKI-UHFFFAOYSA-N 1 0 378.495 3.742 20 30 GHEDRO Cc1nccc(N(C2CC[NH2+]CC2)C2CCC(C#N)(c3ccc(F)cc3)CC2)n1 ZINC001254358939 1040191041 /nfs/dbraw/zinc/19/10/41/1040191041.db2.gz CJSBNLCGVXXBAL-UHFFFAOYSA-N 1 0 393.510 3.887 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(Br)c3)CC2)C1 ZINC001254656312 1040423419 /nfs/dbraw/zinc/42/34/19/1040423419.db2.gz JHDNUIVKOZMMKR-PILAGYSTSA-N 1 0 390.325 3.772 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)C1 ZINC001254664026 1040426664 /nfs/dbraw/zinc/42/66/64/1040426664.db2.gz SXFKQZGTCIJCHC-WSTZPKSXSA-N 1 0 393.531 3.748 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001462470179 1070278969 /nfs/dbraw/zinc/27/89/69/1070278969.db2.gz IYBMUUDVOLKVCU-PGRDOPGGSA-N 1 0 384.524 3.503 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001254852378 1040594801 /nfs/dbraw/zinc/59/48/01/1040594801.db2.gz YSVQQWTZCLOPEB-HXUWFJFHSA-N 1 0 386.455 3.996 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])NC3Cc4ccccc4C3)c3ccccc32)cc1 ZINC001255020214 1040733647 /nfs/dbraw/zinc/73/36/47/1040733647.db2.gz UGBQYGZDQOTJTF-UHFFFAOYSA-N 1 0 396.494 3.966 20 30 GHEDRO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc(C)c1OCCO ZINC001235364516 1040853465 /nfs/dbraw/zinc/85/34/65/1040853465.db2.gz CQCHGVRWXXJSPZ-UHFFFAOYSA-N 1 0 382.479 3.871 20 30 GHEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(Br)c2)CC1 ZINC001255162686 1040880887 /nfs/dbraw/zinc/88/08/87/1040880887.db2.gz WPWCIMAILWLVMJ-ULQDDVLXSA-N 1 0 378.314 3.772 20 30 GHEDRO CC[C@@H](CC#N)[NH+]1CCC2(CC[C@@H](OCC(=O)N(C)C)c3ccccc32)CC1 ZINC001255167074 1040882543 /nfs/dbraw/zinc/88/25/43/1040882543.db2.gz VAUGUEZGDUJQQR-GHTZIAJQSA-N 1 0 383.536 3.652 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001255213699 1040909028 /nfs/dbraw/zinc/90/90/28/1040909028.db2.gz HUSUHMRALZDFPK-PXCRPINLSA-N 1 0 383.492 3.553 20 30 GHEDRO CSc1ccc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC001255377619 1040969540 /nfs/dbraw/zinc/96/95/40/1040969540.db2.gz RKUQQAZXJIMLOO-QGZVFWFLSA-N 1 0 394.544 3.696 20 30 GHEDRO N#CCc1ccccc1CN1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001235515169 1040970441 /nfs/dbraw/zinc/97/04/41/1040970441.db2.gz ULRPQWQNYNMGHN-UHFFFAOYSA-N 1 0 390.531 3.844 20 30 GHEDRO C=CCOCc1ncn2c1CN([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CCC2 ZINC001255399874 1040986607 /nfs/dbraw/zinc/98/66/07/1040986607.db2.gz BCFZXDYSHDITBN-QFIPXVFZSA-N 1 0 394.563 3.846 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC001462524915 1070327951 /nfs/dbraw/zinc/32/79/51/1070327951.db2.gz CXCYMADZWBGFLL-HXUWFJFHSA-N 1 0 396.535 3.955 20 30 GHEDRO N#Cc1ccc2c(CN3CC[NH2+][C@@H](c4cccc(Br)c4)C3)c[nH]c2c1 ZINC001235801086 1041306998 /nfs/dbraw/zinc/30/69/98/1041306998.db2.gz RPZGBACXEZXAMR-HXUWFJFHSA-N 1 0 395.304 3.949 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CCC([C@H](N)C(=O)OC)CC2)cc1 ZINC001236065475 1041518755 /nfs/dbraw/zinc/51/87/55/1041518755.db2.gz AOBFUWRRFZFHNO-NRFANRHFSA-N 1 0 376.541 3.748 20 30 GHEDRO N#CC1(c2ccccc2-c2cccc(Cl)c2CN2CCOCC2)CC[NH2+]CC1 ZINC001236280105 1041657123 /nfs/dbraw/zinc/65/71/23/1041657123.db2.gz VLJDKCOQETUMOH-UHFFFAOYSA-N 1 0 395.934 3.984 20 30 GHEDRO N#Cc1c(N)sc(CN(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)c1Cl ZINC001236359060 1041682209 /nfs/dbraw/zinc/68/22/09/1041682209.db2.gz XVEFAKFGJIKCQO-CYBMUJFWSA-N 1 0 378.904 3.749 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001256295433 1041689004 /nfs/dbraw/zinc/68/90/04/1041689004.db2.gz NTCBZQQDMFFKPN-IBGZPJMESA-N 1 0 385.508 3.801 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)C2 ZINC001236768437 1041881192 /nfs/dbraw/zinc/88/11/92/1041881192.db2.gz IBJKHXWXBIJKSU-TZIWHRDSSA-N 1 0 393.911 3.700 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC001236861513 1041932418 /nfs/dbraw/zinc/93/24/18/1041932418.db2.gz SXQOEIWNFXONSE-ZFWWWQNUSA-N 1 0 379.298 3.732 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(O)cc(Br)c3)CC2)C1=O ZINC001278029528 1041963520 /nfs/dbraw/zinc/96/35/20/1041963520.db2.gz ZOVACUWRKXKWEW-LJQANCHMSA-N 1 0 393.325 3.545 20 30 GHEDRO CCCCCCCOc1ccc(CN2CC[C@@]3(C(=O)OC)CC[NH2+][C@H]3C2)cc1 ZINC001237065308 1042018262 /nfs/dbraw/zinc/01/82/62/1042018262.db2.gz UFYMEWYIHBRTFW-GMAHTHKFSA-N 1 0 388.552 3.763 20 30 GHEDRO CCCCCCCOc1ccc(CN2CC[C@]3(C(=O)OC)CC[NH2+][C@H]3C2)cc1 ZINC001237065312 1042018600 /nfs/dbraw/zinc/01/86/00/1042018600.db2.gz UFYMEWYIHBRTFW-JTHBVZDNSA-N 1 0 388.552 3.763 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc3[nH]c(C(=O)OC)cc3c1)CCO2 ZINC001237325064 1042147824 /nfs/dbraw/zinc/14/78/24/1042147824.db2.gz OPCYTMFPJZFPKZ-AUSIDOKSSA-N 1 0 398.503 3.528 20 30 GHEDRO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)Cc1ccnc(C#N)c1 ZINC001237465355 1042219069 /nfs/dbraw/zinc/21/90/69/1042219069.db2.gz AJJVVBFUERBBEU-CVAIRZPRSA-N 1 0 375.513 3.547 20 30 GHEDRO Cn1cc(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)c2cc(C#N)ccc21 ZINC001237471095 1042222967 /nfs/dbraw/zinc/22/29/67/1042222967.db2.gz OMCVOFVFFOJPLR-UHFFFAOYSA-N 1 0 389.381 3.831 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)CC1 ZINC001237470939 1042223107 /nfs/dbraw/zinc/22/31/07/1042223107.db2.gz YIMQQQGVFXAGDN-UHFFFAOYSA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1cc(CN2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(F)cc1F ZINC001237526200 1042250043 /nfs/dbraw/zinc/25/00/43/1042250043.db2.gz CZTPVPAWGMIBDG-NRFANRHFSA-N 1 0 385.389 3.605 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237549052 1042260200 /nfs/dbraw/zinc/26/02/00/1042260200.db2.gz HAJDOMAEXYEVTM-UHFFFAOYSA-N 1 0 376.548 3.540 20 30 GHEDRO C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1cn2cc(C#N)ccc2n1 ZINC001237613426 1042282265 /nfs/dbraw/zinc/28/22/65/1042282265.db2.gz GUBGQJQOTDHNBU-UHFFFAOYSA-N 1 0 397.523 3.675 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]21 ZINC001237758081 1042356176 /nfs/dbraw/zinc/35/61/76/1042356176.db2.gz XHAIQSOKMTWMML-ACRUOGEOSA-N 1 0 394.906 3.753 20 30 GHEDRO CCOC(=O)COc1cccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001237916928 1042421504 /nfs/dbraw/zinc/42/15/04/1042421504.db2.gz PTZGEWCOYQIGOC-UHFFFAOYSA-N 1 0 378.472 3.880 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(C4CC4)cnc3OC)C2)CC1 ZINC001238032447 1042467137 /nfs/dbraw/zinc/46/71/37/1042467137.db2.gz JVAIMZHPMNEYLE-UHFFFAOYSA-N 1 0 399.535 3.968 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(O)ccc3C)C[C@@H]2c2ccccc2)C1=O ZINC001238092810 1042489789 /nfs/dbraw/zinc/48/97/89/1042489789.db2.gz LDOWDIPWFITDLU-VWNXMTODSA-N 1 0 376.500 3.705 20 30 GHEDRO CN1CC[C@@]2(C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001238190856 1042514353 /nfs/dbraw/zinc/51/43/53/1042514353.db2.gz DYEOVSAPESVHRA-KNQAVFIVSA-N 1 0 379.891 3.660 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)ccc1Cl ZINC001238192234 1042515607 /nfs/dbraw/zinc/51/56/07/1042515607.db2.gz ZKQWEDSFOWDUJX-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cncc(OCc3ccccc3)c1)C2 ZINC001238363691 1042570457 /nfs/dbraw/zinc/57/04/57/1042570457.db2.gz CGKHXDKXAAHAJW-ZEQRLZLVSA-N 1 0 394.515 3.987 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)ccc1C#N ZINC001238407273 1042586847 /nfs/dbraw/zinc/58/68/47/1042586847.db2.gz VMACKSJOSQLQEB-BULFRSBZSA-N 1 0 392.503 3.832 20 30 GHEDRO COc1cc(CN2CC(c3[nH+]cn4cc(Br)ccc34)C2)ccc1C#N ZINC001238412895 1042588236 /nfs/dbraw/zinc/58/82/36/1042588236.db2.gz JUFDMILIICSBNF-UHFFFAOYSA-N 1 0 397.276 3.576 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)cc(N4CCCC4)c3)C2)CC1 ZINC001238698607 1042690324 /nfs/dbraw/zinc/69/03/24/1042690324.db2.gz JLSLIRZJMKVEKJ-UHFFFAOYSA-N 1 0 387.499 3.646 20 30 GHEDRO CCc1cc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1C#N ZINC001238762272 1042718301 /nfs/dbraw/zinc/71/83/01/1042718301.db2.gz IXBKOGYVIXIIGX-JTHBVZDNSA-N 1 0 379.479 3.597 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001238850138 1042741598 /nfs/dbraw/zinc/74/15/98/1042741598.db2.gz FSHZMBQBNMLNQT-UHFFFAOYSA-N 1 0 382.570 3.554 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001239103312 1042766286 /nfs/dbraw/zinc/76/62/86/1042766286.db2.gz VSWSBZQEHVTRRZ-UHFFFAOYSA-N 1 0 378.582 3.814 20 30 GHEDRO N#Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[NH2+]CC1 ZINC001239190888 1042782922 /nfs/dbraw/zinc/78/29/22/1042782922.db2.gz WRBRIGSQNMWTIZ-UHFFFAOYSA-N 1 0 390.274 3.919 20 30 GHEDRO CCCCCCCCCCCCNC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001239219675 1042788702 /nfs/dbraw/zinc/78/87/02/1042788702.db2.gz IXYMVNUECNVPMT-RBBKRZOGSA-N 1 0 397.604 3.602 20 30 GHEDRO C=CCCNC(=S)N[C@H]1CC2(CC[NH2+]CC2)c2c1cccc2Br ZINC001239363634 1042813671 /nfs/dbraw/zinc/81/36/71/1042813671.db2.gz ZKUXHCNKIONEPT-HNNXBMFYSA-N 1 0 394.382 3.555 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@H]2C[NH2+]Cc3ccsc32)cc1C(F)(F)F ZINC001239368227 1042814595 /nfs/dbraw/zinc/81/45/95/1042814595.db2.gz YHYQCLXEJJJVGC-ZDUSSCGKSA-N 1 0 382.436 3.769 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC001239433713 1042828381 /nfs/dbraw/zinc/82/83/81/1042828381.db2.gz IKNKXEWSZDDPED-GJZGRUSLSA-N 1 0 396.482 3.985 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(C(=S)Nc2ccc(C#N)cc2)C1 ZINC001239444664 1042830627 /nfs/dbraw/zinc/83/06/27/1042830627.db2.gz DBLDGXJXOFCZCB-GOSISDBHSA-N 1 0 390.629 3.621 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1-c1cncc(C[NH3+])c1 ZINC001239791571 1042850953 /nfs/dbraw/zinc/85/09/53/1042850953.db2.gz IIRGBUMWOULVEW-UHFFFAOYSA-N 1 0 380.568 3.816 20 30 GHEDRO COC(=O)c1csc(Cc2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc2)n1 ZINC001240360226 1042923140 /nfs/dbraw/zinc/92/31/40/1042923140.db2.gz BQWMMAWSXJTYLT-UHFFFAOYSA-N 1 0 389.480 3.746 20 30 GHEDRO N#CCC(=O)Nc1nc2ccccc2nc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240386250 1042924513 /nfs/dbraw/zinc/92/45/13/1042924513.db2.gz HHKPKZAYTJJZGR-UHFFFAOYSA-N 1 0 383.455 3.771 20 30 GHEDRO C[C@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001291038940 1043048862 /nfs/dbraw/zinc/04/88/62/1043048862.db2.gz VZTPSBUDCUQCND-FXAWDEMLSA-N 1 0 392.551 3.956 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)[C@H]1C ZINC001291154370 1043113423 /nfs/dbraw/zinc/11/34/23/1043113423.db2.gz YAGFEFBYXPCJST-IRXDYDNUSA-N 1 0 380.540 3.639 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001291155108 1043113705 /nfs/dbraw/zinc/11/37/05/1043113705.db2.gz LAPGOBBMZZRODB-QZTJIDSGSA-N 1 0 380.540 3.782 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001291441162 1043257962 /nfs/dbraw/zinc/25/79/62/1043257962.db2.gz FYGFLNFFOCJLPU-PXNSSMCTSA-N 1 0 392.551 3.784 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001307094777 1043480330 /nfs/dbraw/zinc/48/03/30/1043480330.db2.gz ZVNDSRSQYMUINS-FQEVSTJZSA-N 1 0 378.520 3.954 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001256545636 1043501269 /nfs/dbraw/zinc/50/12/69/1043501269.db2.gz UBQMNSWQFGSPEN-SSPYTLHUSA-N 1 0 381.564 3.540 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001256545632 1043503333 /nfs/dbraw/zinc/50/33/33/1043503333.db2.gz UBQMNSWQFGSPEN-FJIJXJHWSA-N 1 0 381.564 3.540 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCN(Cc3ccccc3)CC1)C2 ZINC001256605981 1043569147 /nfs/dbraw/zinc/56/91/47/1043569147.db2.gz LYLCQIFACWKCSR-DNQXCXABSA-N 1 0 384.564 3.725 20 30 GHEDRO COc1cccc2c1CC[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC001256635095 1043586178 /nfs/dbraw/zinc/58/61/78/1043586178.db2.gz OXQKJURYKDFKBQ-JOCHJYFZSA-N 1 0 375.516 3.678 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001462737453 1070511099 /nfs/dbraw/zinc/51/10/99/1070511099.db2.gz IISBHRRXVJSQRC-UHFFFAOYSA-N 1 0 399.541 3.525 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN([C@@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256917388 1043744331 /nfs/dbraw/zinc/74/43/31/1043744331.db2.gz TXSLMMVBNPBSEP-OAQYLSRUSA-N 1 0 398.595 3.761 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001292483462 1043756158 /nfs/dbraw/zinc/75/61/58/1043756158.db2.gz CADAUDXTYANHEN-GOSISDBHSA-N 1 0 394.567 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCC(C#N)CC2)(c2cccnc2)CC1 ZINC001256962594 1043774314 /nfs/dbraw/zinc/77/43/14/1043774314.db2.gz QFMUILYIJJOJJO-UHFFFAOYSA-N 1 0 384.524 3.980 20 30 GHEDRO COCCC[N@H+](C1CCC(C#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001256969260 1043777205 /nfs/dbraw/zinc/77/72/05/1043777205.db2.gz CROSARXDDLGWCK-UHFFFAOYSA-N 1 0 379.545 3.807 20 30 GHEDRO N#CC1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001256972510 1043778084 /nfs/dbraw/zinc/77/80/84/1043778084.db2.gz ZPFGELQMTRZHNH-UHFFFAOYSA-N 1 0 390.325 3.726 20 30 GHEDRO N#CC1CCC([NH+]2CCC3(CC2)C(=O)Nc2ccc(Br)cc23)CC1 ZINC001256973364 1043779290 /nfs/dbraw/zinc/77/92/90/1043779290.db2.gz PTUJJDADIJIPPP-UHFFFAOYSA-N 1 0 388.309 3.817 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]CCNC(=O)c3ccc(Cl)cn3)CC2)cc1 ZINC001257012913 1043799711 /nfs/dbraw/zinc/79/97/11/1043799711.db2.gz SAMHTNJEZVNDTB-UHFFFAOYSA-N 1 0 382.895 3.652 20 30 GHEDRO CC(C)N(c1ncnc2c1CC[NH2+]CC2)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257018260 1043803684 /nfs/dbraw/zinc/80/36/84/1043803684.db2.gz MRVBNTPGVQTNPX-UHFFFAOYSA-N 1 0 389.547 3.978 20 30 GHEDRO CCCCOC(=O)CC[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001257403579 1043987726 /nfs/dbraw/zinc/98/77/26/1043987726.db2.gz UHVLUARMSXPWDN-QGZVFWFLSA-N 1 0 388.508 3.922 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(Br)cc2)C1 ZINC001257570082 1044055372 /nfs/dbraw/zinc/05/53/72/1044055372.db2.gz HNSHOHCPJOCOFJ-WMLDXEAASA-N 1 0 381.314 3.757 20 30 GHEDRO C=CCOCc1nn([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c2c1C[NH2+]C2 ZINC001257586483 1044072323 /nfs/dbraw/zinc/07/23/23/1044072323.db2.gz SJALZBRCSNKZCM-MUJYYYPQSA-N 1 0 390.528 3.538 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001293339387 1044123792 /nfs/dbraw/zinc/12/37/92/1044123792.db2.gz LWFMZEDWGRXZSF-JOCHJYFZSA-N 1 0 391.515 3.550 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257797748 1044181840 /nfs/dbraw/zinc/18/18/40/1044181840.db2.gz GJMQQCIAWGOXCU-XQBPLPMBSA-N 1 0 377.573 3.796 20 30 GHEDRO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001257985015 1044314178 /nfs/dbraw/zinc/31/41/78/1044314178.db2.gz IDGGHJGSGDXRDY-YADHBBJMSA-N 1 0 399.579 3.801 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCC(CC(=O)OCC)CC1)CCO2 ZINC001258032561 1044357713 /nfs/dbraw/zinc/35/77/13/1044357713.db2.gz CCYYHMMEWPSSHX-RUCRBOMBSA-N 1 0 379.541 3.572 20 30 GHEDRO CCCCCCC[C@@H](C)N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001258041398 1044366052 /nfs/dbraw/zinc/36/60/52/1044366052.db2.gz SPTIRSPGTDDCEA-QGZVFWFLSA-N 1 0 377.554 3.933 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cccnc2)C1 ZINC001258047134 1044368605 /nfs/dbraw/zinc/36/86/05/1044368605.db2.gz HQOBSDNCRNMSIG-JKLQHZFJSA-N 1 0 387.568 3.897 20 30 GHEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CN(CCOC)C(=O)[C@H]2COC)CC1 ZINC001258048921 1044371673 /nfs/dbraw/zinc/37/16/73/1044371673.db2.gz ZCXLANICJTVLNX-WOJBJXKFSA-N 1 0 382.589 3.569 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)c(CCC)s2)CC1 ZINC001293931756 1044386582 /nfs/dbraw/zinc/38/65/82/1044386582.db2.gz CGHFTOHXXPTOLW-UHFFFAOYSA-N 1 0 383.355 3.681 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)CC#N ZINC001294318997 1044583125 /nfs/dbraw/zinc/58/31/25/1044583125.db2.gz XYLDRAGQFSSJFI-GBESFXJTSA-N 1 0 388.560 3.523 20 30 GHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H]2[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2C(=O)OCC ZINC001258716717 1044732126 /nfs/dbraw/zinc/73/21/26/1044732126.db2.gz DRNSCIQKVCQFHK-ICUGJSFKSA-N 1 0 380.529 3.508 20 30 GHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)OC)cc1 ZINC001258725026 1044734339 /nfs/dbraw/zinc/73/43/39/1044734339.db2.gz DYWPKDGMKNPHSR-CRAIPNDOSA-N 1 0 376.497 3.983 20 30 GHEDRO C=CCOc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001295076912 1044906738 /nfs/dbraw/zinc/90/67/38/1044906738.db2.gz FMWALHPJUBWZEC-MOPGFXCFSA-N 1 0 394.515 3.995 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCC(C)(C#N)CC1 ZINC001295387259 1044995819 /nfs/dbraw/zinc/99/58/19/1044995819.db2.gz ZMHZCMLRTXLTOC-GOSISDBHSA-N 1 0 386.588 3.871 20 30 GHEDRO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001295431480 1045008159 /nfs/dbraw/zinc/00/81/59/1045008159.db2.gz BTEYZXKKMUWQTF-FQEVSTJZSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2C)C[C@H]1C ZINC001296147107 1045264626 /nfs/dbraw/zinc/26/46/26/1045264626.db2.gz NLZWAOGFBJKFQP-OPYAIIAOSA-N 1 0 392.551 3.783 20 30 GHEDRO Cc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC001299660283 1045423713 /nfs/dbraw/zinc/42/37/13/1045423713.db2.gz AADKKCZWUHDWIL-UHFFFAOYSA-N 1 0 378.520 3.912 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)[NH+](C)C)C1CC1 ZINC001298023700 1045678003 /nfs/dbraw/zinc/67/80/03/1045678003.db2.gz FPNTZGQWPXJKCP-SFHVURJKSA-N 1 0 392.532 3.780 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001261965344 1046142479 /nfs/dbraw/zinc/14/24/79/1046142479.db2.gz KMAKJGUFRPTBSR-TZIWHRDSSA-N 1 0 396.560 3.887 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1Cc1ccccc1C[NH+](CC)CC ZINC001300805377 1046174638 /nfs/dbraw/zinc/17/46/38/1046174638.db2.gz BDZTTXMYIIJSJX-HSZRJFAPSA-N 1 0 379.552 3.723 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300899837 1046231732 /nfs/dbraw/zinc/23/17/32/1046231732.db2.gz JRUWBHJIKWFREH-ROUUACIJSA-N 1 0 391.604 3.866 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001300907709 1046234934 /nfs/dbraw/zinc/23/49/34/1046234934.db2.gz PLAWTTOZPNEWSW-LJQANCHMSA-N 1 0 390.535 3.703 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300919178 1046241220 /nfs/dbraw/zinc/24/12/20/1046241220.db2.gz XZAVNRFELCDAJL-FQEVSTJZSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301079212 1046324458 /nfs/dbraw/zinc/32/44/58/1046324458.db2.gz BXYSNJWBSIICNQ-AZUAARDMSA-N 1 0 394.567 3.925 20 30 GHEDRO C=C1CCN(c2nnc(C3CCCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001301086175 1046329506 /nfs/dbraw/zinc/32/95/06/1046329506.db2.gz UDJLBFZHNPQOOK-IBGZPJMESA-N 1 0 387.572 3.593 20 30 GHEDRO C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001301206990 1046403934 /nfs/dbraw/zinc/40/39/34/1046403934.db2.gz MTQAHBQCILXWDD-IRXDYDNUSA-N 1 0 398.511 3.738 20 30 GHEDRO C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301221967 1046411881 /nfs/dbraw/zinc/41/18/81/1046411881.db2.gz QWMDSVXPEYDZOW-IBGZPJMESA-N 1 0 387.572 3.593 20 30 GHEDRO C=CCCOCCn1c(CC(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301258690 1046434348 /nfs/dbraw/zinc/43/43/48/1046434348.db2.gz YGQSJNNGTJXDOP-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001301289767 1046456383 /nfs/dbraw/zinc/45/63/83/1046456383.db2.gz OWIABHCKMWTEHO-NRFANRHFSA-N 1 0 390.535 3.882 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001301295339 1046461404 /nfs/dbraw/zinc/46/14/04/1046461404.db2.gz IWCBFVLYEGELQV-MJGOQNOKSA-N 1 0 385.512 3.572 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301308797 1046471125 /nfs/dbraw/zinc/47/11/25/1046471125.db2.gz KPACDIQPPABALW-WOJBJXKFSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CC2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001262998850 1046482336 /nfs/dbraw/zinc/48/23/36/1046482336.db2.gz JODIKGOZACVHNE-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@H](c1ccco1)[NH+](C)C ZINC001301348479 1046504619 /nfs/dbraw/zinc/50/46/19/1046504619.db2.gz BJVAUBCMPHDRNV-LJQANCHMSA-N 1 0 379.508 3.929 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCC[C@@H]1C ZINC001301348789 1046505387 /nfs/dbraw/zinc/50/53/87/1046505387.db2.gz BVGVGSSOOTVJNB-PZJWPPBQSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC=CCC1)C(C)C ZINC001301366757 1046510818 /nfs/dbraw/zinc/51/08/18/1046510818.db2.gz IHWISJNCQZIUGO-NRFANRHFSA-N 1 0 392.551 3.805 20 30 GHEDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)C[C@@]2(C)C1 ZINC001301719414 1046674279 /nfs/dbraw/zinc/67/42/79/1046674279.db2.gz XCQGMXKKPCFADG-DNQXCXABSA-N 1 0 389.499 3.551 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001263288278 1046683505 /nfs/dbraw/zinc/68/35/05/1046683505.db2.gz MUKOWHXCFZHWGL-GHTZIAJQSA-N 1 0 395.551 3.630 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCC[NH+]1CCCCC1 ZINC001301970573 1046768490 /nfs/dbraw/zinc/76/84/90/1046768490.db2.gz HARSXKLJMUIMAP-FQEVSTJZSA-N 1 0 394.567 3.535 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001301975292 1046772124 /nfs/dbraw/zinc/77/21/24/1046772124.db2.gz UCMIPQXEAOUJPS-OALUTQOASA-N 1 0 388.604 3.975 20 30 GHEDRO CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1CC[NH+](C2CC2)CC1 ZINC001302576612 1046985407 /nfs/dbraw/zinc/98/54/07/1046985407.db2.gz ZWCHIOOFLGFSAX-UHFFFAOYSA-N 1 0 392.551 3.784 20 30 GHEDRO CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001303045000 1047259739 /nfs/dbraw/zinc/25/97/39/1047259739.db2.gz KOYYEDVDLIZWEZ-LJQANCHMSA-N 1 0 392.551 3.783 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC1)C(C)C ZINC001303297573 1047347859 /nfs/dbraw/zinc/34/78/59/1047347859.db2.gz ZWMKEIYNMBIUIW-UHFFFAOYSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CCC[NH+]1CCCC1 ZINC001303630552 1047456881 /nfs/dbraw/zinc/45/68/81/1047456881.db2.gz ZMFRWECIBGQJLP-KRWDZBQOSA-N 1 0 392.507 3.916 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCCC2)C1)[NH+](C)C ZINC001303699261 1047484935 /nfs/dbraw/zinc/48/49/35/1047484935.db2.gz GZFNSDFQJNZDND-QGZVFWFLSA-N 1 0 378.524 3.537 20 30 GHEDRO C[N@H+](CCCOc1ccccc1CNC(=O)c1cnccc1C#N)C1CCCC1 ZINC001265595685 1047637512 /nfs/dbraw/zinc/63/75/12/1047637512.db2.gz GQALEUWVZCCZLL-UHFFFAOYSA-N 1 0 392.503 3.527 20 30 GHEDRO C[C@H]1C[C@@H]1n1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304959644 1047822269 /nfs/dbraw/zinc/82/22/69/1047822269.db2.gz HOBUDFMCXNZMBI-PXNSSMCTSA-N 1 0 392.551 3.956 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001305031891 1047844397 /nfs/dbraw/zinc/84/43/97/1047844397.db2.gz FKTKRRLEWQUGTF-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccco1 ZINC001305058279 1047866469 /nfs/dbraw/zinc/86/64/69/1047866469.db2.gz GPIXSIYBJOGWBG-QGZVFWFLSA-N 1 0 390.491 3.530 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1)[NH+]1CCC(C)CC1 ZINC001305065406 1047870000 /nfs/dbraw/zinc/87/00/00/1047870000.db2.gz ZJVLODNQHUTRMS-IBGZPJMESA-N 1 0 390.535 3.703 20 30 GHEDRO Cc1ccc(C#N)c(NC(=O)[C@H]2CCSC23C[NH+](Cc2cccs2)C3)c1 ZINC001279772093 1047945878 /nfs/dbraw/zinc/94/58/78/1047945878.db2.gz YVFHOGKPWMSHDB-QGZVFWFLSA-N 1 0 383.542 3.874 20 30 GHEDRO C=CCCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N(C)CCOC ZINC001279837319 1047963488 /nfs/dbraw/zinc/96/34/88/1047963488.db2.gz ZLESTWFYFCAHNZ-IBGZPJMESA-N 1 0 382.614 3.815 20 30 GHEDRO CCN(C(=O)C12CC([NH2+]Cc3cc(C#N)ccc3Br)(C1)C2)C(C)C ZINC001280125115 1048094145 /nfs/dbraw/zinc/09/41/45/1048094145.db2.gz DMTKCXNKPPLEFT-UHFFFAOYSA-N 1 0 390.325 3.590 20 30 GHEDRO N#CCC1CN(C(=O)[C@@H]2CCSC23C[NH+](CCCC2CCCCC2)C3)C1 ZINC001280157537 1048110209 /nfs/dbraw/zinc/11/02/09/1048110209.db2.gz JMGKHYTZMXQVDO-IBGZPJMESA-N 1 0 375.582 3.526 20 30 GHEDRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001305711793 1048226911 /nfs/dbraw/zinc/22/69/11/1048226911.db2.gz DEDHEYHAXWDBTR-UWJYYQICSA-N 1 0 392.567 3.675 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286288536 1048257229 /nfs/dbraw/zinc/25/72/29/1048257229.db2.gz IZYGQQZSFMPQHF-FPOVZHCZSA-N 1 0 379.552 3.832 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286368747 1048292219 /nfs/dbraw/zinc/29/22/19/1048292219.db2.gz YXSUKSKMLALNGW-HNNXBMFYSA-N 1 0 389.906 3.539 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001305915867 1048307118 /nfs/dbraw/zinc/30/71/18/1048307118.db2.gz BKFLHRCHYLMHDX-RXVVDRJESA-N 1 0 394.567 3.978 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001305920345 1048312440 /nfs/dbraw/zinc/31/24/40/1048312440.db2.gz MLQIZDOTBSNPKY-PXNSSMCTSA-N 1 0 380.540 3.730 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)C)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286419285 1048312650 /nfs/dbraw/zinc/31/26/50/1048312650.db2.gz QSZGWTNCZMMBSI-QFIPXVFZSA-N 1 0 391.563 3.948 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001286428167 1048316297 /nfs/dbraw/zinc/31/62/97/1048316297.db2.gz PZCYZXTYWMWPTB-OAQYLSRUSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001286431086 1048318815 /nfs/dbraw/zinc/31/88/15/1048318815.db2.gz RRRVXWHGPOEJPW-LJQANCHMSA-N 1 0 395.576 3.763 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCCC[NH+]1CCC(C)CC1 ZINC001286519806 1048346158 /nfs/dbraw/zinc/34/61/58/1048346158.db2.gz LSTYFAAXUYPKMI-HSZRJFAPSA-N 1 0 394.567 3.777 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286525187 1048350350 /nfs/dbraw/zinc/35/03/50/1048350350.db2.gz MVVKTKMYIKHUFW-YOSAUDMPSA-N 1 0 397.611 3.981 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001286547902 1048358622 /nfs/dbraw/zinc/35/86/22/1048358622.db2.gz QOLJFMLQKKCVNX-UYAOXDASSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H](C)CC)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001286568721 1048367350 /nfs/dbraw/zinc/36/73/50/1048367350.db2.gz VXOJODNNPQCEEJ-RTBURBONSA-N 1 0 377.577 3.695 20 30 GHEDRO C=C(Cn1c(CC(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC001286617451 1048389436 /nfs/dbraw/zinc/38/94/36/1048389436.db2.gz LRTFTEVHDVYQLO-TZIWHRDSSA-N 1 0 379.552 3.863 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286643530 1048408245 /nfs/dbraw/zinc/40/82/45/1048408245.db2.gz MHFALIHVGZXLMN-HXUWFJFHSA-N 1 0 390.535 3.705 20 30 GHEDRO C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286664800 1048430740 /nfs/dbraw/zinc/43/07/40/1048430740.db2.gz HJESYZKNRCFTKG-LJQANCHMSA-N 1 0 397.567 3.826 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286670875 1048435274 /nfs/dbraw/zinc/43/52/74/1048435274.db2.gz MKSRNNZXCZABAH-FHWLQOOXSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286706043 1048465200 /nfs/dbraw/zinc/46/52/00/1048465200.db2.gz JFZNBDHOPRWJQK-IBGZPJMESA-N 1 0 389.588 3.839 20 30 GHEDRO C=CCCOCCn1c(C2CCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286710119 1048467804 /nfs/dbraw/zinc/46/78/04/1048467804.db2.gz NETYXMFPOUCEHG-UHFFFAOYSA-N 1 0 389.588 3.697 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286720829 1048476968 /nfs/dbraw/zinc/47/69/68/1048476968.db2.gz OEFLBVGVFLUOGO-RTBURBONSA-N 1 0 397.567 3.944 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccnc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001286720882 1048476988 /nfs/dbraw/zinc/47/69/88/1048476988.db2.gz PMTBWDYCSKQSLU-UHFFFAOYSA-N 1 0 382.556 3.720 20 30 GHEDRO CCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001306160340 1048478498 /nfs/dbraw/zinc/47/84/98/1048478498.db2.gz WVZXKVUBMFRTPH-KNQAVFIVSA-N 1 0 384.572 3.768 20 30 GHEDRO C=CCN(C)c1nnc(CC2CC2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001286729912 1048487165 /nfs/dbraw/zinc/48/71/65/1048487165.db2.gz GVFKHBUYGRVVAI-FQEVSTJZSA-N 1 0 395.551 3.699 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001286731033 1048488791 /nfs/dbraw/zinc/48/87/91/1048488791.db2.gz XEARISAHCAKQOX-HXUWFJFHSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC=C(C)CC1)C(C)C ZINC001286751708 1048504480 /nfs/dbraw/zinc/50/44/80/1048504480.db2.gz JWDCVFCVHFZPDO-LEWJYISDSA-N 1 0 399.583 3.985 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001286759214 1048512524 /nfs/dbraw/zinc/51/25/24/1048512524.db2.gz MEJABHXLMNCSKC-HXUWFJFHSA-N 1 0 379.552 3.698 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCCC[NH+]1CCC(C)CC1 ZINC001286968292 1048560109 /nfs/dbraw/zinc/56/01/09/1048560109.db2.gz PWPKWZDXVIIRJR-LJQANCHMSA-N 1 0 388.604 3.975 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286968208 1048560393 /nfs/dbraw/zinc/56/03/93/1048560393.db2.gz PGCZCCLVQQULQO-GBESFXJTSA-N 1 0 388.604 3.831 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001306347425 1048585979 /nfs/dbraw/zinc/58/59/79/1048585979.db2.gz XGBGBJPOPUSYFM-RXVVDRJESA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001287104557 1048598471 /nfs/dbraw/zinc/59/84/71/1048598471.db2.gz MMWSBISZRUMCEI-RXVVDRJESA-N 1 0 390.535 3.846 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCC(C#N)CC1 ZINC001306683445 1048810667 /nfs/dbraw/zinc/81/06/67/1048810667.db2.gz ULJJTWSZTCCIFL-UHFFFAOYSA-N 1 0 380.540 3.725 20 30 GHEDRO N#Cc1cc(F)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC001307073117 1049055038 /nfs/dbraw/zinc/05/50/38/1049055038.db2.gz QGFVKZUXLIZUCC-SJCJKPOMSA-N 1 0 378.289 3.913 20 30 GHEDRO CN(C)c1cc[nH+]c(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 ZINC001288872438 1049243518 /nfs/dbraw/zinc/24/35/18/1049243518.db2.gz QHCALLWPAGDGTP-UHFFFAOYSA-N 1 0 390.418 3.881 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC(C)(C)[C@@H]3C)sc2C1 ZINC001307530642 1049376342 /nfs/dbraw/zinc/37/63/42/1049376342.db2.gz PIWFTQYFKHKOBQ-KBPBESRZSA-N 1 0 375.538 3.572 20 30 GHEDRO C=CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001307586346 1049423467 /nfs/dbraw/zinc/42/34/67/1049423467.db2.gz VNQZPWZNOGIWEO-MOPGFXCFSA-N 1 0 393.572 3.570 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)C1 ZINC001307606121 1049443920 /nfs/dbraw/zinc/44/39/20/1049443920.db2.gz FNOWNISGXUFZNX-ICSRJNTNSA-N 1 0 390.524 3.580 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001289531337 1049526588 /nfs/dbraw/zinc/52/65/88/1049526588.db2.gz KNWDWZQCCPHRQJ-OKZBNKHCSA-N 1 0 398.555 3.810 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)CC1CCCC1 ZINC001307756618 1049571271 /nfs/dbraw/zinc/57/12/71/1049571271.db2.gz DIEFNXFLXWGTFO-IBGZPJMESA-N 1 0 393.572 3.838 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cc1 ZINC001307854682 1049636732 /nfs/dbraw/zinc/63/67/32/1049636732.db2.gz WGIJCYWEMAZYJD-UXLLHSPISA-N 1 0 394.519 3.889 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC001307915912 1049693282 /nfs/dbraw/zinc/69/32/82/1049693282.db2.gz ZSZLXTLRTRVRMY-KGLIPLIRSA-N 1 0 398.288 3.906 20 30 GHEDRO CCC(O)(CC)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001307979507 1049736593 /nfs/dbraw/zinc/73/65/93/1049736593.db2.gz HJUHIVDKEKHMDP-CQSZACIVSA-N 1 0 377.554 3.556 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001308023015 1049773495 /nfs/dbraw/zinc/77/34/95/1049773495.db2.gz UUIGTVRNKIXCRX-HKUYNNGSSA-N 1 0 385.508 3.788 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)COc3ccc4cc[nH]c4c3)CC2)cc1 ZINC001308113015 1049857515 /nfs/dbraw/zinc/85/75/15/1049857515.db2.gz AHJGVPJCKYGQNW-OAQYLSRUSA-N 1 0 375.472 3.659 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]c2ccccc2c1C#N)c1cccc(OC)c1 ZINC001290523999 1049870127 /nfs/dbraw/zinc/87/01/27/1049870127.db2.gz QLPYXEBASYFKKL-NRFANRHFSA-N 1 0 390.487 3.861 20 30 GHEDRO CCC[N@H+](C[C@@H](O)c1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC001308153115 1049889058 /nfs/dbraw/zinc/88/90/58/1049889058.db2.gz FIAXILXUUJRMKC-XMMPIXPASA-N 1 0 377.532 3.968 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001290739545 1049913361 /nfs/dbraw/zinc/91/33/61/1049913361.db2.gz BVMORNCLTXOXBO-GOSISDBHSA-N 1 0 392.551 3.748 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCNC(=O)c2cccc(C)c2)cc1OC ZINC001308222845 1049918826 /nfs/dbraw/zinc/91/88/26/1049918826.db2.gz GKAHPQVUYRIJLD-UHFFFAOYSA-N 1 0 388.895 3.741 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001308411188 1049969785 /nfs/dbraw/zinc/96/97/85/1049969785.db2.gz VGLKRIGQOSLFBK-QRQLOZEOSA-N 1 0 390.524 3.661 20 30 GHEDRO Fc1cccc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1OCC(F)(F)F ZINC001308519954 1049997399 /nfs/dbraw/zinc/99/73/99/1049997399.db2.gz ZNMPIBIEWXSTGE-ZYHUDNBSSA-N 1 0 375.284 3.966 20 30 GHEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(S(=O)(=O)C(F)(F)F)c2)c1 ZINC001308553583 1050006953 /nfs/dbraw/zinc/00/69/53/1050006953.db2.gz BUWYMUWGEODQNU-UHFFFAOYSA-N 1 0 385.407 3.835 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001308639461 1050043270 /nfs/dbraw/zinc/04/32/70/1050043270.db2.gz QNOKVDCXTQAXQH-INIZCTEOSA-N 1 0 378.538 3.818 20 30 GHEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC001308766814 1050087434 /nfs/dbraw/zinc/08/74/34/1050087434.db2.gz WEPSJRDNGCMSJM-UONOGXRCSA-N 1 0 383.330 3.527 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001309181474 1050439445 /nfs/dbraw/zinc/43/94/45/1050439445.db2.gz VNZUKEXKHLMUDN-NQIIRXRSSA-N 1 0 399.560 3.911 20 30 GHEDRO C=CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)COC ZINC001328607135 1050557977 /nfs/dbraw/zinc/55/79/77/1050557977.db2.gz FQTLAVJYUISUGL-VEEZFSHISA-N 1 0 385.552 3.805 20 30 GHEDRO C=CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](C)COC ZINC001328607133 1050558378 /nfs/dbraw/zinc/55/83/78/1050558378.db2.gz FQTLAVJYUISUGL-BHGTWAMESA-N 1 0 385.552 3.805 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001309455878 1050732924 /nfs/dbraw/zinc/73/29/24/1050732924.db2.gz CUNLUPHBGLAJQQ-HSZRJFAPSA-N 1 0 398.572 3.996 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001329877234 1050915269 /nfs/dbraw/zinc/91/52/69/1050915269.db2.gz FMHFLJNKJOLSJY-NRFANRHFSA-N 1 0 397.563 3.503 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)c1 ZINC001310302663 1051279983 /nfs/dbraw/zinc/27/99/83/1051279983.db2.gz HAEOSZFEGUIHBE-OAQYLSRUSA-N 1 0 377.488 3.827 20 30 GHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001310395333 1051327650 /nfs/dbraw/zinc/32/76/50/1051327650.db2.gz VCECXWODWVUUOK-FCHUYYIVSA-N 1 0 391.540 3.788 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NCC3([NH+]4CCCCC4)CCOCC3)CCCC2)cc1 ZINC001331587650 1051332382 /nfs/dbraw/zinc/33/23/82/1051332382.db2.gz HRCIOHHJKCIRJY-UHFFFAOYSA-N 1 0 395.547 3.521 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cnn1C ZINC001332362559 1051505419 /nfs/dbraw/zinc/50/54/19/1051505419.db2.gz YGENSDWHXQFXJD-CVEARBPZSA-N 1 0 389.544 3.699 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001310963317 1051737262 /nfs/dbraw/zinc/73/72/62/1051737262.db2.gz IFEXZGABPJSMQS-QFIPXVFZSA-N 1 0 391.475 3.614 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)C1CC1 ZINC001311137370 1051896235 /nfs/dbraw/zinc/89/62/35/1051896235.db2.gz JANNVBGUVALQRP-FQEVSTJZSA-N 1 0 384.430 3.869 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001334879069 1051997616 /nfs/dbraw/zinc/99/76/16/1051997616.db2.gz KYOLEXICLDROSO-PWRODBHTSA-N 1 0 390.535 3.559 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1)C(C)C ZINC001311389365 1052080967 /nfs/dbraw/zinc/08/09/67/1052080967.db2.gz XRZMEARPXAMOCB-JTHBVZDNSA-N 1 0 398.595 3.962 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC001336050346 1052220202 /nfs/dbraw/zinc/22/02/02/1052220202.db2.gz ZATOWCFUQIZCPT-UHFFFAOYSA-N 1 0 390.325 3.801 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C[C@@H]2C1 ZINC001336272311 1052250454 /nfs/dbraw/zinc/25/04/54/1052250454.db2.gz SCALTOPDCWNZQI-IVMMDQJWSA-N 1 0 396.413 3.651 20 30 GHEDRO CCC(CC)(CNC(=O)NCC#CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001311875616 1052449526 /nfs/dbraw/zinc/44/95/26/1052449526.db2.gz UVMBFSBDQAUZIH-UHFFFAOYSA-N 1 0 384.351 3.915 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC001313211297 1052986123 /nfs/dbraw/zinc/98/61/23/1052986123.db2.gz BNHNBFWHAHEGKH-UHFFFAOYSA-N 1 0 384.524 3.507 20 30 GHEDRO C=CCn1c(COCC2CC2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001342305997 1053093579 /nfs/dbraw/zinc/09/35/79/1053093579.db2.gz IUGQMLVXMRMKJF-UHFFFAOYSA-N 1 0 387.572 3.626 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCc2sc(Cl)cc2C1 ZINC001342414636 1053157539 /nfs/dbraw/zinc/15/75/39/1053157539.db2.gz DNNCEROCBXKKAM-UHFFFAOYSA-N 1 0 377.945 3.551 20 30 GHEDRO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001313684683 1053170039 /nfs/dbraw/zinc/17/00/39/1053170039.db2.gz UFIZZYKVRQBNJP-SFHVURJKSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC(C(F)(F)F)CC1 ZINC001342453713 1053177433 /nfs/dbraw/zinc/17/74/33/1053177433.db2.gz GASKRBVDCQZTAC-ZXFUBFMLSA-N 1 0 397.489 3.658 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313902143 1053280021 /nfs/dbraw/zinc/28/00/21/1053280021.db2.gz JXEOIRKQBRPJCW-SIKLNZKXSA-N 1 0 378.524 3.559 20 30 GHEDRO C=C(C)Cn1c(-c2cnoc2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342681349 1053295866 /nfs/dbraw/zinc/29/58/66/1053295866.db2.gz NVTQTVLSOUCWPD-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO C=C(C)Cn1c(CCC[N@H+](C)Cc2c(C)noc2C)nnc1N(C)C1CCC1 ZINC001342682779 1053297260 /nfs/dbraw/zinc/29/72/60/1053297260.db2.gz XZEVBILMZAQNEA-UHFFFAOYSA-N 1 0 386.544 3.512 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001342762453 1053343261 /nfs/dbraw/zinc/34/32/61/1053343261.db2.gz VIBYEMGGJQCVCP-FQEVSTJZSA-N 1 0 384.572 3.649 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cccc(C[NH+]4CCCC4)c3)C2)c(F)c1 ZINC001342836848 1053383677 /nfs/dbraw/zinc/38/36/77/1053383677.db2.gz ZPUIYWGMDKMOIH-LJQANCHMSA-N 1 0 392.478 3.758 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)c1ccco1 ZINC001314651943 1053551122 /nfs/dbraw/zinc/55/11/22/1053551122.db2.gz SZOCAWFZBJPADM-SFHVURJKSA-N 1 0 398.555 3.893 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001343492117 1053809445 /nfs/dbraw/zinc/80/94/45/1053809445.db2.gz VJXYKCQTXHHXSK-OALUTQOASA-N 1 0 389.588 3.836 20 30 GHEDRO N#CCCCc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1cccs1 ZINC001343580308 1053904170 /nfs/dbraw/zinc/90/41/70/1053904170.db2.gz PMIKOBOTFCIXOU-UHFFFAOYSA-N 1 0 398.580 3.689 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343583631 1053906675 /nfs/dbraw/zinc/90/66/75/1053906675.db2.gz RFZHIXZQSQEUFI-RTBURBONSA-N 1 0 389.588 3.836 20 30 GHEDRO N#Cc1ccc(C(=O)OC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)[nH]1 ZINC001344617554 1054602319 /nfs/dbraw/zinc/60/23/19/1054602319.db2.gz YYTJPECYYBEXKR-UHFFFAOYSA-N 1 0 393.365 3.606 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001318455070 1054651458 /nfs/dbraw/zinc/65/14/58/1054651458.db2.gz XOXCBRCGJSJTBJ-MSOLQXFVSA-N 1 0 383.521 3.600 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001318671985 1054788030 /nfs/dbraw/zinc/78/80/30/1054788030.db2.gz RGHMTQQLHAHDFQ-FCHUYYIVSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CCC([NH+](CC)CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC001320702274 1055934447 /nfs/dbraw/zinc/93/44/47/1055934447.db2.gz PTKSJHUOESXQNU-QFIPXVFZSA-N 1 0 393.572 3.665 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccc(OCC)cc3C2)c(OC)c1 ZINC001320772920 1055956652 /nfs/dbraw/zinc/95/66/52/1055956652.db2.gz PPKMEPBQAISGAE-NRFANRHFSA-N 1 0 397.515 3.620 20 30 GHEDRO Cc1c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)ccc2c[nH+]cn21 ZINC001321075571 1056082446 /nfs/dbraw/zinc/08/24/46/1056082446.db2.gz XPXHONIAFGTRLN-UHFFFAOYSA-N 1 0 386.411 3.551 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300443786 1056105115 /nfs/dbraw/zinc/10/51/15/1056105115.db2.gz NDWFPNVJOZJUSF-UHFFFAOYSA-N 1 0 379.552 3.841 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001300448648 1056123439 /nfs/dbraw/zinc/12/34/39/1056123439.db2.gz BBYOWGJOTPMFCY-IBGZPJMESA-N 1 0 395.551 3.678 20 30 GHEDRO CCOc1ccc2c(c1)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC2 ZINC001321406875 1056249710 /nfs/dbraw/zinc/24/97/10/1056249710.db2.gz CUUSBDDRPWVFFX-UHFFFAOYSA-N 1 0 387.487 3.816 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001300586698 1056555239 /nfs/dbraw/zinc/55/52/39/1056555239.db2.gz ABKGXFJRPNZGCM-JOCHJYFZSA-N 1 0 395.595 3.738 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300613684 1056658845 /nfs/dbraw/zinc/65/88/45/1056658845.db2.gz MROBEEHCULNCHN-WOJBJXKFSA-N 1 0 379.552 3.773 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@@H+](C)CCCC ZINC001300620269 1056689742 /nfs/dbraw/zinc/68/97/42/1056689742.db2.gz FTJFZJXBENNMRA-UHFFFAOYSA-N 1 0 392.551 3.628 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC[N@@H+](C)CCCC ZINC001300789462 1057029783 /nfs/dbraw/zinc/02/97/83/1057029783.db2.gz MRDJQCKNJVXTMB-HSZRJFAPSA-N 1 0 395.551 3.678 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001324269914 1057101950 /nfs/dbraw/zinc/10/19/50/1057101950.db2.gz HNGFNHQBLBROJM-FQEVSTJZSA-N 1 0 397.482 3.800 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[NH+](C(C)(C)CC)CC2)c1=S ZINC000848495632 1057129197 /nfs/dbraw/zinc/12/91/97/1057129197.db2.gz LWSMFEDJJYGXMV-UHFFFAOYSA-N 1 0 399.608 3.955 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000848645775 1057222190 /nfs/dbraw/zinc/22/21/90/1057222190.db2.gz YKEVEPIZUSLKLW-AWEZNQCLSA-N 1 0 382.277 3.515 20 30 GHEDRO C=CCO[C@H]1CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC001325228455 1057294180 /nfs/dbraw/zinc/29/41/80/1057294180.db2.gz OOLCGGXXNUDSHH-QHCPKHFHSA-N 1 0 378.516 3.535 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C#N)cc1)C(=S)NCC(F)(F)F ZINC001325491145 1057334078 /nfs/dbraw/zinc/33/40/78/1057334078.db2.gz YPIBJKWYEFRUHW-UHFFFAOYSA-O 1 0 392.426 3.771 20 30 GHEDRO C=CCn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1C1(C#N)CCCC1 ZINC001355969319 1057337009 /nfs/dbraw/zinc/33/70/09/1057337009.db2.gz RNSLXSVSYYSISC-UHFFFAOYSA-N 1 0 382.556 3.644 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1C1(C#N)CCCC1 ZINC001355968826 1057337017 /nfs/dbraw/zinc/33/70/17/1057337017.db2.gz NVNOKHQGLXEYGJ-UHFFFAOYSA-N 1 0 382.556 3.644 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001325994921 1057393041 /nfs/dbraw/zinc/39/30/41/1057393041.db2.gz DEURVBSFALTDEH-ZCNNSNEGSA-N 1 0 385.870 3.898 20 30 GHEDRO C=C(C)Cn1c(-c2cnoc2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001356188143 1057423436 /nfs/dbraw/zinc/42/34/36/1057423436.db2.gz DIKAVHZRXAAOHU-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001356329877 1057477696 /nfs/dbraw/zinc/47/76/96/1057477696.db2.gz MIXXEXPSBOFCMV-FQEVSTJZSA-N 1 0 392.551 3.801 20 30 GHEDRO CC(C)([C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001356545158 1057545010 /nfs/dbraw/zinc/54/50/10/1057545010.db2.gz OLGQVGDDOAKMGC-VQIMIIECSA-N 1 0 377.479 3.525 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC(=O)NCc2ccccc2)cc1 ZINC000849069804 1057580231 /nfs/dbraw/zinc/58/02/31/1057580231.db2.gz RDKMSHPSIDTBKV-UHFFFAOYSA-N 1 0 386.499 3.869 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccccc1N1CCOCC1 ZINC000849071054 1057580739 /nfs/dbraw/zinc/58/07/39/1057580739.db2.gz KBAIARJTBPDPIG-UHFFFAOYSA-N 1 0 394.563 3.867 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cccc(N2CCOC2=O)c1 ZINC000849071326 1057580973 /nfs/dbraw/zinc/58/09/73/1057580973.db2.gz HLYKGUPMSIMHNJ-UHFFFAOYSA-N 1 0 394.519 3.987 20 30 GHEDRO C#Cc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1 ZINC001337990081 1058360754 /nfs/dbraw/zinc/36/07/54/1058360754.db2.gz NTYJQXHGRJJJPV-MRXNPFEDSA-N 1 0 375.472 3.605 20 30 GHEDRO CCc1ccc(C#CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC001440368127 1058501983 /nfs/dbraw/zinc/50/19/83/1058501983.db2.gz FDQBHLQFGWHYTP-HSZRJFAPSA-N 1 0 376.500 3.562 20 30 GHEDRO Cc1cc(C)n(-c2ccccc2CNC(NC(C)(C)C)=[NH+]C[C@@H]2CCCCO2)n1 ZINC001338385247 1058540879 /nfs/dbraw/zinc/54/08/79/1058540879.db2.gz YRGRNGWBDNUABR-FQEVSTJZSA-N 1 0 397.567 3.892 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001339125212 1058970684 /nfs/dbraw/zinc/97/06/84/1058970684.db2.gz IKLAIOZOSYTYKE-YADHBBJMSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1c[nH]c2cc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)ccc12 ZINC001442549707 1058975489 /nfs/dbraw/zinc/97/54/89/1058975489.db2.gz OALONGARNABEIN-UHFFFAOYSA-N 1 0 376.485 3.841 20 30 GHEDRO C=CCn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339225861 1059023385 /nfs/dbraw/zinc/02/33/85/1059023385.db2.gz VVLCVUYIDUREEZ-SFHVURJKSA-N 1 0 397.567 3.741 20 30 GHEDRO C=CCn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1C(F)(F)CC1CC1 ZINC001339277333 1059062504 /nfs/dbraw/zinc/06/25/04/1059062504.db2.gz KZAVGIZJSUHTQA-UHFFFAOYSA-N 1 0 379.499 3.811 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)n([C@H]2CCCOC2)c1C)C(C)C ZINC001443422036 1059126688 /nfs/dbraw/zinc/12/66/88/1059126688.db2.gz DXVLEDDTRSEJAR-UNMCSNQZSA-N 1 0 387.568 3.885 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC001444934585 1059415547 /nfs/dbraw/zinc/41/55/47/1059415547.db2.gz XLEYQRSGMQOGHX-JOCHJYFZSA-N 1 0 375.516 3.882 20 30 GHEDRO C=CCC[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)c1ccccc1 ZINC001545981643 1059712816 /nfs/dbraw/zinc/71/28/16/1059712816.db2.gz YQPAVGGVJNNPRR-IBGZPJMESA-N 1 0 392.503 3.741 20 30 GHEDRO C[NH+](C)CCSc1nc(CC(=O)N[C@@H](CCC#N)c2ccccc2)cs1 ZINC001446489156 1059781377 /nfs/dbraw/zinc/78/13/77/1059781377.db2.gz DSNBDQJALNAHEM-KRWDZBQOSA-N 1 0 388.562 3.501 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001340253872 1059794864 /nfs/dbraw/zinc/79/48/64/1059794864.db2.gz QCFIFGSRLVSLJS-UHFFFAOYSA-N 1 0 393.626 3.788 20 30 GHEDRO C=CCn1c(CCCC#N)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001340297645 1059836895 /nfs/dbraw/zinc/83/68/95/1059836895.db2.gz QCWIVCCTTDRCPS-UHFFFAOYSA-N 1 0 392.551 3.659 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001340312177 1059848499 /nfs/dbraw/zinc/84/84/99/1059848499.db2.gz HKCOKQFRZKGDKW-INIZCTEOSA-N 1 0 384.553 3.530 20 30 GHEDRO C=CCn1c([C@@H]2CC(C)=NN=C2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001340317709 1059852587 /nfs/dbraw/zinc/85/25/87/1059852587.db2.gz XZMYMBPVNBCFHI-HXUWFJFHSA-N 1 0 399.587 3.737 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001340412020 1059918137 /nfs/dbraw/zinc/91/81/37/1059918137.db2.gz SZMRNVUFBGNWBR-ROUUACIJSA-N 1 0 392.503 3.867 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC001447423414 1059962619 /nfs/dbraw/zinc/96/26/19/1059962619.db2.gz BJUSGAZELKPPMH-OAQYLSRUSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC001447623525 1059990125 /nfs/dbraw/zinc/99/01/25/1059990125.db2.gz UQVUDPGFKNOZQA-QGZVFWFLSA-N 1 0 378.520 3.960 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(C2CCC2)CC1 ZINC001340636354 1060008297 /nfs/dbraw/zinc/00/82/97/1060008297.db2.gz PRHUIRBHRXJBLF-NRFANRHFSA-N 1 0 399.583 3.797 20 30 GHEDRO C#CC[C@@H](CC)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccccc1 ZINC001340705016 1060063174 /nfs/dbraw/zinc/06/31/74/1060063174.db2.gz WWBLCPPDFHCBRF-HXUWFJFHSA-N 1 0 379.552 3.810 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC001450081785 1060526728 /nfs/dbraw/zinc/52/67/28/1060526728.db2.gz PSLSTDPZDSACKK-PMACEKPBSA-N 1 0 386.417 3.774 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001450481215 1060600856 /nfs/dbraw/zinc/60/08/56/1060600856.db2.gz AOEWNQKIOADZLX-HXUWFJFHSA-N 1 0 388.483 3.870 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001341780257 1060886908 /nfs/dbraw/zinc/88/69/08/1060886908.db2.gz HAINJCZVEUTPSV-RBUKOAKNSA-N 1 0 389.588 3.636 20 30 GHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001341781186 1060889376 /nfs/dbraw/zinc/88/93/76/1060889376.db2.gz LVVBOEFIFLRFAQ-LJQANCHMSA-N 1 0 395.551 3.689 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccccc1 ZINC001341989541 1060983802 /nfs/dbraw/zinc/98/38/02/1060983802.db2.gz RABLRURYULSMPM-UHFFFAOYSA-N 1 0 394.567 3.729 20 30 GHEDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001342183124 1061113495 /nfs/dbraw/zinc/11/34/95/1061113495.db2.gz JPWWLYDAEGDKFC-QJPTWQEYSA-N 1 0 384.295 3.599 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001345961948 1061246376 /nfs/dbraw/zinc/24/63/76/1061246376.db2.gz PRJLBSIOZYFZOG-IBGZPJMESA-N 1 0 380.540 3.537 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(C(C)(C)CC#N)n2CC2CC2)C1 ZINC001346033979 1061307293 /nfs/dbraw/zinc/30/72/93/1061307293.db2.gz MZTUVDKDMLNTIZ-UYAOXDASSA-N 1 0 398.599 3.970 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001346228284 1061463479 /nfs/dbraw/zinc/46/34/79/1061463479.db2.gz HQWQMMBCQZYRQM-GUDVDZBRSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c(Cc2ccnc(C)c2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001346248724 1061477123 /nfs/dbraw/zinc/47/71/23/1061477123.db2.gz PLYHRMWNBXCHGJ-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)c1nnc(C(C)(C)CC#N)n1CC1CC1 ZINC001346476716 1061590304 /nfs/dbraw/zinc/59/03/04/1061590304.db2.gz APVFXQDYIFDRDE-UHFFFAOYSA-N 1 0 386.588 3.684 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CCC1(C)C ZINC001454265861 1061681024 /nfs/dbraw/zinc/68/10/24/1061681024.db2.gz HFZAQSXLSSSNAZ-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1ccc(C(=O)/C=C\C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001454865728 1061947362 /nfs/dbraw/zinc/94/73/62/1061947362.db2.gz FCYQSUMFARFDDP-MTVZPNFRSA-N 1 0 376.500 3.905 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC1CC1 ZINC001346898812 1061969243 /nfs/dbraw/zinc/96/92/43/1061969243.db2.gz BJNCERKODISVOX-MOPGFXCFSA-N 1 0 392.551 3.806 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001435655802 1062818208 /nfs/dbraw/zinc/81/82/08/1062818208.db2.gz CJNQRAPKJPPTMZ-GBESFXJTSA-N 1 0 394.906 3.637 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CC[NH+]([C@H](CC)c3ccccc3)CC2)cc1 ZINC001456979187 1062937133 /nfs/dbraw/zinc/93/71/33/1062937133.db2.gz IULMQYJGVKTXBL-HSZRJFAPSA-N 1 0 376.500 3.998 20 30 GHEDRO CC(C)N(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437035258 1063745856 /nfs/dbraw/zinc/74/58/56/1063745856.db2.gz YGNDZJOYUVQGEY-SIKLNZKXSA-N 1 0 391.515 3.837 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001458713450 1063923916 /nfs/dbraw/zinc/92/39/16/1063923916.db2.gz KMFOTBCGLHKTFI-UHFFFAOYSA-N 1 0 389.459 3.600 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC001459356325 1064073561 /nfs/dbraw/zinc/07/35/61/1064073561.db2.gz PIFDMAQSLLBSJT-UHFFFAOYSA-N 1 0 375.472 3.618 20 30 GHEDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccccc1C#N ZINC001459367126 1064077350 /nfs/dbraw/zinc/07/73/50/1064077350.db2.gz GZYCXPNYNGZHLS-GOSISDBHSA-N 1 0 389.293 3.583 20 30 GHEDRO OCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2ccccc21 ZINC001459562025 1064128512 /nfs/dbraw/zinc/12/85/12/1064128512.db2.gz RIUABIGLJMWBOX-FQEVSTJZSA-N 1 0 375.390 3.919 20 30 GHEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459643396 1064152611 /nfs/dbraw/zinc/15/26/11/1064152611.db2.gz JYQJNWJKZGMCGO-MRXNPFEDSA-N 1 0 398.425 3.878 20 30 GHEDRO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)CCCc1[nH]nc(N)c1C#N ZINC001459892113 1064259334 /nfs/dbraw/zinc/25/93/34/1064259334.db2.gz GLPBOALEPIGWKH-UHFFFAOYSA-N 1 0 395.429 3.606 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CCC1 ZINC001459920502 1064273156 /nfs/dbraw/zinc/27/31/56/1064273156.db2.gz DNLKTSCKECAXKT-MRXNPFEDSA-N 1 0 393.325 3.737 20 30 GHEDRO C=C(C)[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)c1ccc(F)c(F)c1 ZINC001459978878 1064315763 /nfs/dbraw/zinc/31/57/63/1064315763.db2.gz GHCQWUYGMWYZPS-BBTUJRGHSA-N 1 0 396.478 3.932 20 30 GHEDRO N#CC1(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCCCC1 ZINC001351497220 1064481773 /nfs/dbraw/zinc/48/17/73/1064481773.db2.gz YDSOJYPGPKFYGD-HZMVEIRTSA-N 1 0 383.458 3.582 20 30 GHEDRO C=CCn1c(-c2ccc3cc[nH]c3c2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001352031445 1064778892 /nfs/dbraw/zinc/77/88/92/1064778892.db2.gz MNOSHJFBPIGMBL-SLFFLAALSA-N 1 0 390.535 3.779 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)CC1 ZINC001352036041 1064782954 /nfs/dbraw/zinc/78/29/54/1064782954.db2.gz WVFKGDDUFJHQQN-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC[N@@H+]2C2CCOCC2)n1CC ZINC001352250122 1064950356 /nfs/dbraw/zinc/95/03/56/1064950356.db2.gz VGQLMIXFLZTNOT-OAQYLSRUSA-N 1 0 395.551 3.807 20 30 GHEDRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC001464341140 1064962666 /nfs/dbraw/zinc/96/26/66/1064962666.db2.gz KXUYJCHWEYNSBL-OAQYLSRUSA-N 1 0 397.544 3.542 20 30 GHEDRO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001300021307 1065037793 /nfs/dbraw/zinc/03/77/93/1065037793.db2.gz VZUNRENTJXDBQJ-HSZRJFAPSA-N 1 0 388.515 3.505 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1coc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC001464493156 1065044338 /nfs/dbraw/zinc/04/43/38/1065044338.db2.gz KDGFDVXWCWBMRF-KRWDZBQOSA-N 1 0 379.382 3.983 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)s1 ZINC001465060857 1065361750 /nfs/dbraw/zinc/36/17/50/1065361750.db2.gz CZIJUZFWKBSIHH-HOTGVXAUSA-N 1 0 379.574 3.999 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)CC1 ZINC000847515201 1065504449 /nfs/dbraw/zinc/50/44/49/1065504449.db2.gz NKRILRXCTBIVIV-UHFFFAOYSA-N 1 0 378.438 3.731 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC[NH+](C(C)C)C(C)C ZINC001492557659 1065669006 /nfs/dbraw/zinc/66/90/06/1065669006.db2.gz RYYAIOVXEDXSQC-SFHVURJKSA-N 1 0 382.556 3.968 20 30 GHEDRO CCN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC001353158417 1065718563 /nfs/dbraw/zinc/71/85/63/1065718563.db2.gz IXDRQJSSEMVPKS-GFCCVEGCSA-N 1 0 386.311 3.800 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC001465764677 1065840158 /nfs/dbraw/zinc/84/01/58/1065840158.db2.gz JPNHTWTWYCLHCY-UHFFFAOYSA-N 1 0 388.556 3.951 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(CCC#N)cc2)CC1 ZINC001353322461 1065871301 /nfs/dbraw/zinc/87/13/01/1065871301.db2.gz DYCZZSJWFRVCOY-SFHVURJKSA-N 1 0 397.544 3.647 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300313284 1065972123 /nfs/dbraw/zinc/97/21/23/1065972123.db2.gz FODFYSUQKMDIEB-SFHVURJKSA-N 1 0 397.542 3.588 20 30 GHEDRO N#CC1(COC(=O)c2ccn(C3CCCC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748498 1066029984 /nfs/dbraw/zinc/02/99/84/1066029984.db2.gz AVPVLDCAYXTFQY-UHFFFAOYSA-N 1 0 392.503 3.961 20 30 GHEDRO C[C@H](CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000847748834 1066037625 /nfs/dbraw/zinc/03/76/25/1066037625.db2.gz JHLGKLFXUFZDDP-LJQANCHMSA-N 1 0 377.488 3.924 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001466343154 1066102821 /nfs/dbraw/zinc/10/28/21/1066102821.db2.gz KXZTUCVMZGSVQV-OLZOCXBDSA-N 1 0 384.402 3.699 20 30 GHEDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC001466497613 1066172822 /nfs/dbraw/zinc/17/28/22/1066172822.db2.gz RSSCSVXJYRMNNP-UHFFFAOYSA-N 1 0 379.302 3.564 20 30 GHEDRO C#CCCCn1c(CC2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300419229 1066284453 /nfs/dbraw/zinc/28/44/53/1066284453.db2.gz ILTAPWYYUACJHH-UHFFFAOYSA-N 1 0 385.600 3.982 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N[C@@H](C[NH+](C)C)c3ccc(OC)cc3)cc21 ZINC001467381746 1067266069 /nfs/dbraw/zinc/26/60/69/1067266069.db2.gz WBLHOAPYOWXITC-FQEVSTJZSA-N 1 0 393.491 3.655 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001358874470 1067589870 /nfs/dbraw/zinc/58/98/70/1067589870.db2.gz XPZABDJYFSGTBS-BBTUJRGHSA-N 1 0 379.552 3.761 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CCC1CC[NH+](CC)CC1 ZINC001358882641 1067594179 /nfs/dbraw/zinc/59/41/79/1067594179.db2.gz DWVHQRHYIFWXPN-QGZVFWFLSA-N 1 0 383.515 3.664 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001358886302 1067597200 /nfs/dbraw/zinc/59/72/00/1067597200.db2.gz BGZXKXAFXTWYRQ-RBUKOAKNSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358893338 1067599636 /nfs/dbraw/zinc/59/96/36/1067599636.db2.gz SDVNWQYPKWVHBM-CEXWTWQISA-N 1 0 397.542 3.586 20 30 GHEDRO C#CCCCCn1c(CC(C)C)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001358913321 1067610427 /nfs/dbraw/zinc/61/04/27/1067610427.db2.gz KWJYRJOXUFWMBE-JOCHJYFZSA-N 1 0 393.579 3.991 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001358950715 1067627702 /nfs/dbraw/zinc/62/77/02/1067627702.db2.gz WJVQCZMJWGYBIC-HXUWFJFHSA-N 1 0 399.970 3.856 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001359000916 1067644334 /nfs/dbraw/zinc/64/43/34/1067644334.db2.gz HEAWZKNGPRARIH-TZIWHRDSSA-N 1 0 379.552 3.621 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2C)n1CC1([NH+](C)C)CCCC1 ZINC001359011012 1067651120 /nfs/dbraw/zinc/65/11/20/1067651120.db2.gz HYIKKELSDUMSSZ-UHFFFAOYSA-N 1 0 379.552 3.511 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2F)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359010846 1067651299 /nfs/dbraw/zinc/65/12/99/1067651299.db2.gz BAMQVASHSJSLNB-IBGZPJMESA-N 1 0 397.542 3.732 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC001468360415 1067702538 /nfs/dbraw/zinc/70/25/38/1067702538.db2.gz VYGWRGGDKYJXIP-OAQYLSRUSA-N 1 0 382.529 3.843 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359146964 1067708780 /nfs/dbraw/zinc/70/87/80/1067708780.db2.gz PAHGADXSWLPHNJ-UHFFFAOYSA-N 1 0 398.942 3.880 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001359161702 1067717635 /nfs/dbraw/zinc/71/76/35/1067717635.db2.gz NRQRORBAIOUPLW-LJQANCHMSA-N 1 0 399.539 3.504 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001359161851 1067717653 /nfs/dbraw/zinc/71/76/53/1067717653.db2.gz TUECDYLDHNIWGB-GOSISDBHSA-N 1 0 378.524 3.703 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359166658 1067720638 /nfs/dbraw/zinc/72/06/38/1067720638.db2.gz BWQZQLQFJKKBIE-HXUWFJFHSA-N 1 0 394.567 3.541 20 30 GHEDRO C#C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC001468450312 1067736097 /nfs/dbraw/zinc/73/60/97/1067736097.db2.gz DZYVRRYVJYBXGX-LJQANCHMSA-N 1 0 385.305 3.658 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001359177087 1067736225 /nfs/dbraw/zinc/73/62/25/1067736225.db2.gz ZSXVPCDXTXSVOI-UHFFFAOYSA-N 1 0 396.583 3.808 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359187892 1067754440 /nfs/dbraw/zinc/75/44/40/1067754440.db2.gz AUKHDSVAZGQVGK-IPMKNSEASA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001359200921 1067767810 /nfs/dbraw/zinc/76/78/10/1067767810.db2.gz WCWNTTNDNHTTJK-UHFFFAOYSA-N 1 0 390.535 3.705 20 30 GHEDRO C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001359204554 1067775413 /nfs/dbraw/zinc/77/54/13/1067775413.db2.gz TYKWUFSMHZRMIG-LJQANCHMSA-N 1 0 397.567 3.764 20 30 GHEDRO C=CCCCCn1c(N2CC[N@H+](C3CCOCC3)C[C@H]2C)nnc1C(C)(C)C ZINC001359206586 1067779711 /nfs/dbraw/zinc/77/97/11/1067779711.db2.gz JMCPKVPONQMDJQ-GOSISDBHSA-N 1 0 389.588 3.621 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC[N@H+]1CC ZINC001359232508 1067834001 /nfs/dbraw/zinc/83/40/01/1067834001.db2.gz WRKSYDZCKLIJES-DLBZAZTESA-N 1 0 387.503 3.664 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[N@@H+](CC)C[C@@H]2C)s1 ZINC001468770771 1067873770 /nfs/dbraw/zinc/87/37/70/1067873770.db2.gz QPHULDOJIADXNC-ZDUSSCGKSA-N 1 0 388.002 3.781 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849505937 1067881720 /nfs/dbraw/zinc/88/17/20/1067881720.db2.gz KOXXQGMGWJVMOL-NHCUHLMSSA-N 1 0 398.526 3.588 20 30 GHEDRO C=CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC[N@@H+](CC)C(C)C)C1CC1 ZINC001359248887 1067894182 /nfs/dbraw/zinc/89/41/82/1067894182.db2.gz GLUFJEPZPNBADQ-UHFFFAOYSA-N 1 0 397.523 3.559 20 30 GHEDRO C=CCN(c1nnc(CC2CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C)C1CC1 ZINC001359253056 1067906630 /nfs/dbraw/zinc/90/66/30/1067906630.db2.gz QVCDMPHMRXJUFO-HXUWFJFHSA-N 1 0 383.515 3.827 20 30 GHEDRO C=CC[C@@H]1N(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCCC1(C)C ZINC000849582244 1067913218 /nfs/dbraw/zinc/91/32/18/1067913218.db2.gz LUGCHBWOENZBFC-HKBOAZHASA-N 1 0 386.584 3.827 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(CC)nnc1N1C[C@@H](C)OC(C)(C)C1)C(C)C ZINC001359265758 1067929025 /nfs/dbraw/zinc/92/90/25/1067929025.db2.gz LQMWQVQHTHQPHL-MOPGFXCFSA-N 1 0 389.588 3.543 20 30 GHEDRO C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359288442 1067980001 /nfs/dbraw/zinc/98/00/01/1067980001.db2.gz FKCDTOBHGQEOEE-CTNGQTDRSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC001359306565 1068023887 /nfs/dbraw/zinc/02/38/87/1068023887.db2.gz KQDXYLGYFPSWOH-SFHVURJKSA-N 1 0 383.540 3.545 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359312992 1068027657 /nfs/dbraw/zinc/02/76/57/1068027657.db2.gz FHBLWTLLRGRLSK-RBUKOAKNSA-N 1 0 389.588 3.695 20 30 GHEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1(C)C ZINC001469331677 1068108023 /nfs/dbraw/zinc/10/80/23/1068108023.db2.gz ISZZIORJXPOKAH-PMACEKPBSA-N 1 0 381.451 3.948 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@H]1c1ccc(F)cc1 ZINC001469412444 1068150355 /nfs/dbraw/zinc/15/03/55/1068150355.db2.gz QGCSRAVDTOIGNV-LEWJYISDSA-N 1 0 392.478 3.821 20 30 GHEDRO COc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)sc2c1 ZINC001359854525 1068222589 /nfs/dbraw/zinc/22/25/89/1068222589.db2.gz ZQPWSJALSJEQAO-UHFFFAOYSA-N 1 0 393.512 3.986 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3CCC(C#N)CC3)nnc2C(C)(C)C)C1 ZINC001360011911 1068312675 /nfs/dbraw/zinc/31/26/75/1068312675.db2.gz KEHFKVYTQIWPRR-IBGZPJMESA-N 1 0 386.588 3.684 20 30 GHEDRO C#CCCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC001360032440 1068322404 /nfs/dbraw/zinc/32/24/04/1068322404.db2.gz NYLDGYLPFZMJEQ-UHFFFAOYSA-N 1 0 386.442 3.571 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001360780896 1068626238 /nfs/dbraw/zinc/62/62/38/1068626238.db2.gz MZLTXNOSFZEPHE-QFIPXVFZSA-N 1 0 384.572 3.580 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC001460496244 1068979806 /nfs/dbraw/zinc/97/98/06/1068979806.db2.gz BLPIXCWCZCNOCT-GOSISDBHSA-N 1 0 389.421 3.755 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001460552229 1068993794 /nfs/dbraw/zinc/99/37/94/1068993794.db2.gz DAIBGNLAETVFDC-WDEREUQCSA-N 1 0 396.472 3.633 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001460761163 1069161838 /nfs/dbraw/zinc/16/18/38/1069161838.db2.gz LTZKEHDHNFVMFF-BOCKYXSRSA-N 1 0 377.463 3.734 20 30 GHEDRO C#CCC1([NH2+]Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)CCCCC1 ZINC001460830311 1069207409 /nfs/dbraw/zinc/20/74/09/1069207409.db2.gz PURMVZROOYISAQ-UHFFFAOYSA-N 1 0 393.512 3.755 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]CCOc3ccccc3C#N)C(C)(C)[C@H]21 ZINC001460972798 1069307114 /nfs/dbraw/zinc/30/71/14/1069307114.db2.gz AIYFXAROJJFTBA-RLLQIKCJSA-N 1 0 399.535 3.951 20 30 GHEDRO C[C@@]12CN(C(=O)c3ccc(C#N)cc3F)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001470776867 1072732395 /nfs/dbraw/zinc/73/23/95/1072732395.db2.gz MVPFDLOQTICBEJ-DHIUTWEWSA-N 1 0 377.463 3.682 20 30 GHEDRO CC1(C)CCC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001478828001 1078997792 /nfs/dbraw/zinc/99/77/92/1078997792.db2.gz BLJIAEGZBPLZMU-NRFANRHFSA-N 1 0 382.552 3.992 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(F)(F)c1ccccc1C#N ZINC001546223014 1079040961 /nfs/dbraw/zinc/04/09/61/1079040961.db2.gz SOYSMIJYFLSOPB-UHFFFAOYSA-N 1 0 398.457 3.810 20 30 GHEDRO C#C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC001472573085 1073557628 /nfs/dbraw/zinc/55/76/28/1073557628.db2.gz XRQCYECIJGGYQQ-UFYCRDLUSA-N 1 0 397.316 3.933 20 30 GHEDRO COc1ccccc1[C@H](CNc1cc(C#N)nc(C2CC2)n1)[NH+]1CCCCC1 ZINC001472664609 1073604010 /nfs/dbraw/zinc/60/40/10/1073604010.db2.gz UREVDSIAZNTXJD-IBGZPJMESA-N 1 0 377.492 3.873 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC001472776605 1073660628 /nfs/dbraw/zinc/66/06/28/1073660628.db2.gz SACGIIPYAWWAMO-UHFFFAOYSA-N 1 0 386.349 3.823 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC001473186887 1073841538 /nfs/dbraw/zinc/84/15/38/1073841538.db2.gz YDWGATJPADZLQL-BGYRXZFFSA-N 1 0 392.503 3.501 20 30 GHEDRO COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)CC2(C#N)CCC2)c1 ZINC001473224782 1073873556 /nfs/dbraw/zinc/87/35/56/1073873556.db2.gz XRSXLQWQMVZVEI-GGAORHGYSA-N 1 0 394.515 3.676 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001473451428 1073969687 /nfs/dbraw/zinc/96/96/87/1073969687.db2.gz KKJCLQDTFVODBB-FUHIMQAGSA-N 1 0 387.524 3.951 20 30 GHEDRO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)CC1 ZINC001473455769 1073973263 /nfs/dbraw/zinc/97/32/63/1073973263.db2.gz OZTZJKSJRMMSRL-FQEVSTJZSA-N 1 0 385.508 3.660 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC001473653777 1074069246 /nfs/dbraw/zinc/06/92/46/1074069246.db2.gz UQHGDCIQNZIRKH-IEBWSBKVSA-N 1 0 399.535 3.657 20 30 GHEDRO C#CC[N@H+](C[C@H]1CC(C)(C)OC1(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473797292 1074147171 /nfs/dbraw/zinc/14/71/71/1074147171.db2.gz NICNVIRIHCOCFZ-QGZVFWFLSA-N 1 0 378.557 3.915 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC001473982541 1074225635 /nfs/dbraw/zinc/22/56/35/1074225635.db2.gz SBZGSOOIFGSBDC-OAHLLOKOSA-N 1 0 392.247 3.967 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001474002803 1074232325 /nfs/dbraw/zinc/23/23/25/1074232325.db2.gz IUERPLILPVKPQH-FQEVSTJZSA-N 1 0 394.519 3.980 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1(c2cccc(C#N)c2)CC1)CC(F)(F)F ZINC001474144238 1074276310 /nfs/dbraw/zinc/27/63/10/1074276310.db2.gz IDMLJKAOCUSACB-HNNXBMFYSA-N 1 0 383.414 3.983 20 30 GHEDRO C#CCN(C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001474553257 1074460992 /nfs/dbraw/zinc/46/09/92/1074460992.db2.gz YOIXSXKHZILHSU-ZDUSSCGKSA-N 1 0 389.849 3.621 20 30 GHEDRO C[C@@H]1CC[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001493408238 1079266449 /nfs/dbraw/zinc/26/64/49/1079266449.db2.gz YTENNHKKIIUHRI-RBUKOAKNSA-N 1 0 392.551 3.927 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001475611900 1074927063 /nfs/dbraw/zinc/92/70/63/1074927063.db2.gz PVHPOOGGZKTCOH-OAQYLSRUSA-N 1 0 397.544 3.542 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001476041757 1075073541 /nfs/dbraw/zinc/07/35/41/1075073541.db2.gz NRIGOIVSKVSAFU-SZPZYZBQSA-N 1 0 382.508 3.685 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)CC1 ZINC001476211562 1075104188 /nfs/dbraw/zinc/10/41/88/1075104188.db2.gz MWUBBHBVFKJUFC-UHFFFAOYSA-N 1 0 380.414 3.917 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001476224031 1075106329 /nfs/dbraw/zinc/10/63/29/1075106329.db2.gz PBYVCHJVRCMXJM-KRWDZBQOSA-N 1 0 383.467 3.870 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001496122013 1079456743 /nfs/dbraw/zinc/45/67/43/1079456743.db2.gz HFPLSWYQKPZGJT-FGTMMUONSA-N 1 0 380.540 3.639 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736756863 600594539 /nfs/dbraw/zinc/59/45/39/600594539.db2.gz WWJJWRXTKHWXSI-PNCHPQGNSA-N 1 0 391.515 3.952 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C(=O)[O-])cc1 ZINC000739106406 600598582 /nfs/dbraw/zinc/59/85/82/600598582.db2.gz MBDLASUNGOBKHR-QFIPXVFZSA-N 1 0 377.488 3.850 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828161118 601300547 /nfs/dbraw/zinc/30/05/47/601300547.db2.gz MQYDRMAWOIEGMY-PNCHPQGNSA-N 1 0 391.515 3.952 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825038418 609151842 /nfs/dbraw/zinc/15/18/42/609151842.db2.gz BEDWXIVBKOOEQG-BBRMVZONSA-N 1 0 380.427 3.538 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164387949 718814107 /nfs/dbraw/zinc/81/41/07/718814107.db2.gz KPQQPZHITJTBIP-CYBMUJFWSA-N 1 0 394.775 3.662 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725917 720406686 /nfs/dbraw/zinc/40/66/86/720406686.db2.gz OEGLNBSEIZOYQO-RTWAWAEBSA-N 1 0 376.580 3.559 20 30 GHEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(Cl)nc1C#N ZINC001164735238 720544263 /nfs/dbraw/zinc/54/42/63/720544263.db2.gz NBCTVIGCTAQVGU-ZDUSSCGKSA-N 1 0 398.885 3.668 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3[nH]c(C#N)cc3n1)CC2 ZINC001164795750 721499241 /nfs/dbraw/zinc/49/92/41/721499241.db2.gz LQEGZUZSUDDMTP-UHFFFAOYSA-N 1 0 386.503 3.711 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]21 ZINC001165022142 721802499 /nfs/dbraw/zinc/80/24/99/721802499.db2.gz HZXIFAYJOWSYEO-YVWKXTFCSA-N 1 0 381.911 3.739 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000511460271 837465024 /nfs/dbraw/zinc/46/50/24/837465024.db2.gz LSDQLPSVKPJANV-UHFFFAOYSA-N 1 0 379.479 3.839 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(F)c(C#N)c3)CCCC2)cc1OC ZINC000122135322 837526131 /nfs/dbraw/zinc/52/61/31/837526131.db2.gz AMJMNODROGZUTR-UHFFFAOYSA-N 1 0 397.450 3.756 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000180812934 837586254 /nfs/dbraw/zinc/58/62/54/837586254.db2.gz SUGQKWZNWRDINN-UZLBHIALSA-N 1 0 391.475 3.808 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000180968528 837749419 /nfs/dbraw/zinc/74/94/19/837749419.db2.gz VDGFJOJSLBDWHB-WMLDXEAASA-N 1 0 394.393 3.590 20 30 GHEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000581921005 837748945 /nfs/dbraw/zinc/74/89/45/837748945.db2.gz ZBOWVELEXSFMIF-HXUWFJFHSA-N 1 0 393.878 3.754 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc(C(=O)OC)cc2)C(=S)NC(C)C)cc1 ZINC000278260780 834406602 /nfs/dbraw/zinc/40/66/02/834406602.db2.gz NLDYMYLXQMERSU-UHFFFAOYSA-O 1 0 399.536 3.650 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)cc1OCCCC#N ZINC000278289143 834531865 /nfs/dbraw/zinc/53/18/65/834531865.db2.gz QPCSJSIUICKNLF-UHFFFAOYSA-N 1 0 399.466 3.955 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)C2)nc1 ZINC000430174129 834752926 /nfs/dbraw/zinc/75/29/26/834752926.db2.gz VDNVTXADDIGSJS-NRFANRHFSA-N 1 0 386.455 3.581 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000471123889 834811739 /nfs/dbraw/zinc/81/17/39/834811739.db2.gz IKQDBPHOJXKWAO-GOTSBHOMSA-N 1 0 388.515 3.513 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000176953648 837818119 /nfs/dbraw/zinc/81/81/19/837818119.db2.gz SVDYRWFJHUDKKA-CYBMUJFWSA-N 1 0 376.323 3.998 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246335268 834864007 /nfs/dbraw/zinc/86/40/07/834864007.db2.gz GLPHQWLWRDATPZ-PXNSSMCTSA-N 1 0 382.470 3.784 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000583693372 834888200 /nfs/dbraw/zinc/88/82/00/834888200.db2.gz NEJWYMFHJVLNOD-INIZCTEOSA-N 1 0 393.457 3.670 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)s1 ZINC000176959331 837819622 /nfs/dbraw/zinc/81/96/22/837819622.db2.gz MBXFKUMROIGLBZ-GOSISDBHSA-N 1 0 395.450 3.802 20 30 GHEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccc(C#N)s1 ZINC000176967624 837826535 /nfs/dbraw/zinc/82/65/35/837826535.db2.gz LXKLSHLFUZZDOU-UHFFFAOYSA-N 1 0 392.322 3.521 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246500710 834903392 /nfs/dbraw/zinc/90/33/92/834903392.db2.gz HRPMDDBUQKNFIK-BBTUJRGHSA-N 1 0 387.593 3.600 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246500719 834903659 /nfs/dbraw/zinc/90/36/59/834903659.db2.gz HRPMDDBUQKNFIK-WFXMLNOXSA-N 1 0 387.593 3.600 20 30 GHEDRO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](COC)Cc1ccccc1 ZINC000472327011 834911403 /nfs/dbraw/zinc/91/14/03/834911403.db2.gz KYSICFRJQNGVBH-HXUWFJFHSA-N 1 0 376.460 3.688 20 30 GHEDRO COc1cccc(CC2(c3nc(-c4cc(C#N)ccc4F)no3)CC[NH2+]CC2)c1 ZINC001211494932 835010269 /nfs/dbraw/zinc/01/02/69/835010269.db2.gz LETJAXNJAYCWKF-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO CC(C)(C)OC(=O)NC(C)(C)CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304729048 835057815 /nfs/dbraw/zinc/05/78/15/835057815.db2.gz QNFJHXRXPQMTQT-UHFFFAOYSA-N 1 0 390.406 3.615 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000433342292 844028458 /nfs/dbraw/zinc/02/84/58/844028458.db2.gz IXUBISFWFUCRLW-UXHICEINSA-N 1 0 381.545 3.849 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000274787888 835271013 /nfs/dbraw/zinc/27/10/13/835271013.db2.gz BKMCMHZASLXACP-LAUBAEHRSA-N 1 0 387.487 3.608 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548851038 835285131 /nfs/dbraw/zinc/28/51/31/835285131.db2.gz QVMGIBGIXYQHEL-NRFANRHFSA-N 1 0 395.551 3.697 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000117408612 835298915 /nfs/dbraw/zinc/29/89/15/835298915.db2.gz RMPPEWMWOOHSPD-UHFFFAOYSA-N 1 0 387.368 3.553 20 30 GHEDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278564639 835405962 /nfs/dbraw/zinc/40/59/62/835405962.db2.gz CVQVDMZZLNVGRO-MAUKXSAKSA-N 1 0 381.505 3.522 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c(-c2ccncc2)n1 ZINC000278566432 835420580 /nfs/dbraw/zinc/42/05/80/835420580.db2.gz CYOALWUBJVYIPE-HXUWFJFHSA-N 1 0 379.508 3.830 20 30 GHEDRO Cc1ccc(OC(F)F)c(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c1 ZINC000262366713 835457242 /nfs/dbraw/zinc/45/72/42/835457242.db2.gz HXHOTDPBGVTUFF-UHFFFAOYSA-N 1 0 377.391 3.685 20 30 GHEDRO N#Cc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612107426 835499130 /nfs/dbraw/zinc/49/91/30/835499130.db2.gz DZNNRPYTKMOXFH-XPWALMASSA-N 1 0 388.515 3.658 20 30 GHEDRO C=CCOCCC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000658209506 835510613 /nfs/dbraw/zinc/51/06/13/835510613.db2.gz GDJVLFPBIAFTOV-HXUWFJFHSA-N 1 0 377.481 3.501 20 30 GHEDRO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000647376128 835511320 /nfs/dbraw/zinc/51/13/20/835511320.db2.gz NJRHHMOQFHDNDS-ZWKOTPCHSA-N 1 0 389.588 3.693 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1OCCCC#N ZINC000278622929 835577998 /nfs/dbraw/zinc/57/79/98/835577998.db2.gz DVZUWOJWCFFKIM-SFHVURJKSA-N 1 0 392.858 3.993 20 30 GHEDRO N#Cc1ccc(CCC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612130811 835578667 /nfs/dbraw/zinc/57/86/67/835578667.db2.gz FDSHBHOLPRXRCY-KMDXXIMOSA-N 1 0 387.527 3.908 20 30 GHEDRO CCC[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+]1CCOC ZINC000458796351 835585595 /nfs/dbraw/zinc/58/55/95/835585595.db2.gz DPVMCLXECDJWKT-LEWJYISDSA-N 1 0 386.540 3.564 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000612132370 835587642 /nfs/dbraw/zinc/58/76/42/835587642.db2.gz KZVAXEFPHXQKOA-DBXWQHBBSA-N 1 0 395.453 3.867 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432871484 844072709 /nfs/dbraw/zinc/07/27/09/844072709.db2.gz HZNUYGBJARFXQC-KUHUBIRLSA-N 1 0 378.394 3.816 20 30 GHEDRO CCOc1ccc(C(C)=O)cc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255756247 835725073 /nfs/dbraw/zinc/72/50/73/835725073.db2.gz SHTQSLPAYSWKJG-UHFFFAOYSA-N 1 0 382.460 3.675 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000549676714 844096106 /nfs/dbraw/zinc/09/61/06/844096106.db2.gz ZFUUUZSXTDYNRG-ZUPWUQBJSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000255013973 835861775 /nfs/dbraw/zinc/86/17/75/835861775.db2.gz BYIBAIJYQAESGF-JRQDYBSLSA-N 1 0 396.531 3.749 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000255843643 835935377 /nfs/dbraw/zinc/93/53/77/835935377.db2.gz KEEAQKJBBJPMHZ-HXUWFJFHSA-N 1 0 385.895 3.887 20 30 GHEDRO C=C(CC)CNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000413598273 835938565 /nfs/dbraw/zinc/93/85/65/835938565.db2.gz CAJIDZPIYCGACG-UHFFFAOYSA-N 1 0 380.330 3.679 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C/c1ccccc1C#N ZINC000179754252 835968086 /nfs/dbraw/zinc/96/80/86/835968086.db2.gz UTBLHZFNUYTYAV-YDYPUGOESA-N 1 0 389.499 3.790 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177152418 836060088 /nfs/dbraw/zinc/06/00/88/836060088.db2.gz WCEUAGVAIGMQSW-HXUWFJFHSA-N 1 0 392.455 3.774 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180204553 836103034 /nfs/dbraw/zinc/10/30/34/836103034.db2.gz ZXNQVFIDZLHJEN-OAQYLSRUSA-N 1 0 386.499 3.997 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2cccs2)n1 ZINC000065930805 836253499 /nfs/dbraw/zinc/25/34/99/836253499.db2.gz XVNSWXFSBWYLDN-UHFFFAOYSA-N 1 0 396.541 3.947 20 30 GHEDRO CC(C)Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931056 836253699 /nfs/dbraw/zinc/25/36/99/836253699.db2.gz SDGPEAMIBGRSGC-UHFFFAOYSA-N 1 0 377.532 3.890 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccccc1F ZINC000065930917 836254366 /nfs/dbraw/zinc/25/43/66/836254366.db2.gz CZFNMSMEBLQRRF-UHFFFAOYSA-N 1 0 385.508 3.770 20 30 GHEDRO CC(C)(C)N1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000236649927 836338127 /nfs/dbraw/zinc/33/81/27/836338127.db2.gz YPWZXSCEKDLRRJ-HXUWFJFHSA-N 1 0 377.488 3.626 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471258194 836408201 /nfs/dbraw/zinc/40/82/01/836408201.db2.gz PUCQXQWFKDXESI-FQEVSTJZSA-N 1 0 392.503 3.989 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@@]2(CC(C(=O)Nc3ccc(OC)cc3)=NO2)C1 ZINC001209422826 836500495 /nfs/dbraw/zinc/50/04/95/836500495.db2.gz IWDQQJNTFMHTGR-JOCHJYFZSA-N 1 0 385.508 3.991 20 30 GHEDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000413863971 836561531 /nfs/dbraw/zinc/56/15/31/836561531.db2.gz RBGBHEULCVTLGZ-ZWKOTPCHSA-N 1 0 379.426 3.537 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000452012789 836625553 /nfs/dbraw/zinc/62/55/53/836625553.db2.gz IGXYWUFYVQVMAN-NHCUHLMSSA-N 1 0 394.519 3.511 20 30 GHEDRO Cn1cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180194634 836637005 /nfs/dbraw/zinc/63/70/05/836637005.db2.gz FPOGABDQCGRONQ-XMMPIXPASA-N 1 0 384.483 3.633 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc(OC)c1O ZINC000513057874 844187067 /nfs/dbraw/zinc/18/70/67/844187067.db2.gz PATMWPIYFGUXPF-NRFANRHFSA-N 1 0 394.515 3.914 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)CCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510185261 836680375 /nfs/dbraw/zinc/68/03/75/836680375.db2.gz NCHMDEPDGFKOAG-AUSIDOKSSA-N 1 0 375.516 3.908 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247059763 836691925 /nfs/dbraw/zinc/69/19/25/836691925.db2.gz LVLVRARMFBGWTM-MAUKXSAKSA-N 1 0 379.435 3.619 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413901000 836707199 /nfs/dbraw/zinc/70/71/99/836707199.db2.gz LXHNNMDBBGUOMJ-UHFFFAOYSA-N 1 0 388.439 3.592 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472464116 836734757 /nfs/dbraw/zinc/73/47/57/836734757.db2.gz NWQWZWRXBSWEOB-UNMCSNQZSA-N 1 0 396.579 3.602 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000376365033 836763911 /nfs/dbraw/zinc/76/39/11/836763911.db2.gz DYSAWEUVAZFVMB-IRXDYDNUSA-N 1 0 375.538 3.625 20 30 GHEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000413938092 836847436 /nfs/dbraw/zinc/84/74/36/836847436.db2.gz KKSFDPUQOSFIOU-UHFFFAOYSA-N 1 0 399.466 3.563 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000247118948 836857972 /nfs/dbraw/zinc/85/79/72/836857972.db2.gz UKOJBWMTXUZEQI-YLJYHZDGSA-N 1 0 397.544 3.976 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1OC ZINC000431693742 836886185 /nfs/dbraw/zinc/88/61/85/836886185.db2.gz TUZSODUEQMMGCV-AEFFLSMTSA-N 1 0 385.464 3.530 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H](C)C1 ZINC000175722577 836980258 /nfs/dbraw/zinc/98/02/58/836980258.db2.gz WMJHCWJEFLSLDV-AOIWGVFYSA-N 1 0 388.581 3.681 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000170949080 837002839 /nfs/dbraw/zinc/00/28/39/837002839.db2.gz YCLLRPFLIFAFQT-NRFANRHFSA-N 1 0 386.442 3.852 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1cccc(C)c1 ZINC000027326926 837043128 /nfs/dbraw/zinc/04/31/28/837043128.db2.gz IJMCNBXKSPHVAC-UHFFFAOYSA-O 1 0 386.497 3.828 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1cccc(C)c1 ZINC000027323697 837043698 /nfs/dbraw/zinc/04/36/98/837043698.db2.gz AAVCDWGRBJOBLR-UHFFFAOYSA-O 1 0 387.525 3.628 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000893890398 844239975 /nfs/dbraw/zinc/23/99/75/844239975.db2.gz MVCLFVSNICJKFW-UHFFFAOYSA-N 1 0 396.438 3.994 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180350611 837168820 /nfs/dbraw/zinc/16/88/20/837168820.db2.gz PEBIVKYEOWMENF-FQEVSTJZSA-N 1 0 389.478 3.856 20 30 GHEDRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CCOCC1 ZINC000098123492 844244596 /nfs/dbraw/zinc/24/45/96/844244596.db2.gz XFCWTTGAISWKNC-SFHVURJKSA-N 1 0 377.488 3.532 20 30 GHEDRO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000510265822 837198591 /nfs/dbraw/zinc/19/85/91/837198591.db2.gz WRDUIHGRCPMXRI-INIZCTEOSA-N 1 0 390.959 3.983 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000547848027 837251670 /nfs/dbraw/zinc/25/16/70/837251670.db2.gz OFOOZCYVKWOXFO-HXUWFJFHSA-N 1 0 378.476 3.599 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)o2)c1 ZINC000580106702 837277963 /nfs/dbraw/zinc/27/79/63/837277963.db2.gz FCIIPGKGXVETTJ-NJDAHSKKSA-N 1 0 386.455 3.613 20 30 GHEDRO C=CCn1c2ccccc2nc1SCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000510974844 844267078 /nfs/dbraw/zinc/26/70/78/844267078.db2.gz HPKMMCUKBZYNMN-FQEVSTJZSA-N 1 0 394.544 3.734 20 30 GHEDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(Cl)c1F ZINC000576340377 844275273 /nfs/dbraw/zinc/27/52/73/844275273.db2.gz UKDLGNYBXLIYAR-MRXNPFEDSA-N 1 0 390.886 3.852 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)cc1 ZINC000377762685 837938871 /nfs/dbraw/zinc/93/88/71/837938871.db2.gz DLCLIJDVUOYFFQ-FCHUYYIVSA-N 1 0 399.498 3.562 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)n(-c2ccc(C#N)cc2)n1 ZINC000415699521 838000237 /nfs/dbraw/zinc/00/02/37/838000237.db2.gz JFHFWRJDIGZMKF-QGZVFWFLSA-N 1 0 394.523 3.551 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000165413523 838080736 /nfs/dbraw/zinc/08/07/36/838080736.db2.gz LVOPOTDXLIZACF-NRFANRHFSA-N 1 0 391.515 3.696 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C2CCOCC2)CC1)C(C)C ZINC000122046548 838118493 /nfs/dbraw/zinc/11/84/93/838118493.db2.gz HAOMOJFVZJANII-OAQYLSRUSA-N 1 0 377.573 3.533 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000128358887 838160580 /nfs/dbraw/zinc/16/05/80/838160580.db2.gz HNKZPQCZBKIYIN-KRWDZBQOSA-N 1 0 395.528 3.556 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000023675227 838173176 /nfs/dbraw/zinc/17/31/76/838173176.db2.gz KZXJGXVQXJKRAI-GBXCKJPGSA-N 1 0 397.515 3.913 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(-c2ccnn2C)c1 ZINC000549800950 844304932 /nfs/dbraw/zinc/30/49/32/844304932.db2.gz APDSXSBKIDZHKA-UHFFFAOYSA-N 1 0 389.478 3.729 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccc(F)cc2C#N)CCOCC1)c1ccccc1 ZINC000177923105 838248019 /nfs/dbraw/zinc/24/80/19/838248019.db2.gz JFTWWBFJBOABIT-INIZCTEOSA-N 1 0 396.466 3.719 20 30 GHEDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000659310830 838269858 /nfs/dbraw/zinc/26/98/58/838269858.db2.gz DNVCVCJUNNXZNI-ZDUSSCGKSA-N 1 0 386.311 3.787 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000022969648 838288657 /nfs/dbraw/zinc/28/86/57/838288657.db2.gz OVJWTVRXQVWPQO-UHFFFAOYSA-N 1 0 389.528 3.785 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610321233 838418794 /nfs/dbraw/zinc/41/87/94/838418794.db2.gz MJFGUUODNOVGHJ-KRWDZBQOSA-N 1 0 379.464 3.551 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610321306 838420426 /nfs/dbraw/zinc/42/04/26/838420426.db2.gz PMJWYFWSPKTXCX-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000247250438 838464041 /nfs/dbraw/zinc/46/40/41/838464041.db2.gz DQGOHLHMQJOTMW-MBSDFSHPSA-N 1 0 391.515 3.940 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCc2cccc(C(F)(F)F)c2)c1 ZINC000549111064 838509321 /nfs/dbraw/zinc/50/93/21/838509321.db2.gz MHXCCQCBZNPOBM-UHFFFAOYSA-N 1 0 396.434 3.573 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659582871 838511361 /nfs/dbraw/zinc/51/13/61/838511361.db2.gz PPQWKZNQWZKSFF-FGZHOGPDSA-N 1 0 379.504 3.539 20 30 GHEDRO COc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C2CCCCC2)cc1OC ZINC000123377379 838515342 /nfs/dbraw/zinc/51/53/42/838515342.db2.gz RPXZWYLJNPDGTI-HSZRJFAPSA-N 1 0 399.535 3.647 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000510314734 838591036 /nfs/dbraw/zinc/59/10/36/838591036.db2.gz MAASQHFVETVUHY-UHFFFAOYSA-N 1 0 395.316 3.777 20 30 GHEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(C#N)s1)C(C)C ZINC000414546867 838618742 /nfs/dbraw/zinc/61/87/42/838618742.db2.gz GLEDQXFSXWVVLO-HNNXBMFYSA-N 1 0 376.547 3.992 20 30 GHEDRO C#CCC(CC#C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000376705900 838640426 /nfs/dbraw/zinc/64/04/26/838640426.db2.gz GYIURTOQVIAJJV-QUCCMNQESA-N 1 0 390.449 3.867 20 30 GHEDRO CCSc1ccccc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001125870141 838679692 /nfs/dbraw/zinc/67/96/92/838679692.db2.gz AWANFNZCILOIJH-UHFFFAOYSA-N 1 0 381.545 3.803 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275789364 838822070 /nfs/dbraw/zinc/82/20/70/838822070.db2.gz IUXUOGZFFYDQLV-UHFFFAOYSA-N 1 0 397.425 3.752 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1OCC(F)(F)F ZINC000414833472 838870056 /nfs/dbraw/zinc/87/00/56/838870056.db2.gz FUUSNEYVXORCRS-OAHLLOKOSA-N 1 0 384.402 3.528 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000236631250 838880552 /nfs/dbraw/zinc/88/05/52/838880552.db2.gz VEDLNAKJVGUZFM-UHFFFAOYSA-N 1 0 389.293 3.534 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000549172791 839157417 /nfs/dbraw/zinc/15/74/17/839157417.db2.gz JGLXXYQJDIEWPG-ZDUSSCGKSA-N 1 0 385.489 3.703 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000050107796 839183971 /nfs/dbraw/zinc/18/39/71/839183971.db2.gz HSORJIUPXNLMSL-UHFFFAOYSA-N 1 0 378.476 3.874 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415091679 839198962 /nfs/dbraw/zinc/19/89/62/839198962.db2.gz ZOSCULRCWOLXLP-YOEHRIQHSA-N 1 0 380.448 3.608 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000415091763 839200358 /nfs/dbraw/zinc/20/03/58/839200358.db2.gz ZYTPVQSOXKUXSW-UHFFFAOYSA-N 1 0 380.448 3.623 20 30 GHEDRO CCOC(=O)C1CCC([N@H+](CC)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000549186684 839218576 /nfs/dbraw/zinc/21/85/76/839218576.db2.gz OUZVLOSMEPDQHH-UHFFFAOYSA-N 1 0 382.464 3.552 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415121805 839242836 /nfs/dbraw/zinc/24/28/36/839242836.db2.gz KOECJHLKDDVRAD-SFHVURJKSA-N 1 0 388.418 3.550 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415127686 839254050 /nfs/dbraw/zinc/25/40/50/839254050.db2.gz SDNALTGSIGIWNO-UZLBHIALSA-N 1 0 392.503 3.894 20 30 GHEDRO N#Cc1cc(Cl)cc(C(=O)N2CC[C@H]3C[N@@H+](CCCC(F)(F)F)C[C@H]32)c1 ZINC001279107516 839286826 /nfs/dbraw/zinc/28/68/26/839286826.db2.gz PQDKEUZMJCATGI-XJKSGUPXSA-N 1 0 385.817 3.700 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000472744822 839358414 /nfs/dbraw/zinc/35/84/14/839358414.db2.gz CIYMBSJSVNFSGS-FQEVSTJZSA-N 1 0 377.488 3.937 20 30 GHEDRO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1c(C)noc1C ZINC000129179176 844430042 /nfs/dbraw/zinc/43/00/42/844430042.db2.gz UWEDJZXIVHFEKJ-HXUWFJFHSA-N 1 0 395.507 3.532 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000067262778 844443672 /nfs/dbraw/zinc/44/36/72/844443672.db2.gz JRCWJDMARUIWPS-UHFFFAOYSA-N 1 0 392.503 3.965 20 30 GHEDRO Cc1cc(F)ccc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000580452016 839574704 /nfs/dbraw/zinc/57/47/04/839574704.db2.gz NWGWLPNOZDAUJR-UHFFFAOYSA-N 1 0 387.458 3.774 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C#N)c3)c(OCC)c2)CC1 ZINC000190077619 839794220 /nfs/dbraw/zinc/79/42/20/839794220.db2.gz XENPOVNBPPHMNU-UHFFFAOYSA-N 1 0 392.503 3.741 20 30 GHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415468188 839814775 /nfs/dbraw/zinc/81/47/75/839814775.db2.gz WXVUITXRKGCXPM-LJQANCHMSA-N 1 0 396.491 3.528 20 30 GHEDRO Cc1cc(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)nn1CCC#N ZINC000275921363 839835456 /nfs/dbraw/zinc/83/54/56/839835456.db2.gz WYNGCLJKGBDUSJ-UHFFFAOYSA-N 1 0 380.496 3.778 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000580689806 840018002 /nfs/dbraw/zinc/01/80/02/840018002.db2.gz LYEZMXZTHCPLKS-TUACAJSNSA-N 1 0 394.515 3.781 20 30 GHEDRO CCOc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1OC ZINC000160652277 840307407 /nfs/dbraw/zinc/30/74/07/840307407.db2.gz LXJSNQQNJJBTSI-UHFFFAOYSA-N 1 0 383.370 3.919 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509728282 840329843 /nfs/dbraw/zinc/32/98/43/840329843.db2.gz IPJDMKZMXVOXJM-PGRDOPGGSA-N 1 0 376.504 3.658 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000561243832 840449403 /nfs/dbraw/zinc/44/94/03/840449403.db2.gz DZEGLAWMEGSERW-QFIPXVFZSA-N 1 0 379.891 3.950 20 30 GHEDRO CC[N@@H+]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000511604229 840467526 /nfs/dbraw/zinc/46/75/26/840467526.db2.gz DUQUQBMZVKMNTO-SFHVURJKSA-N 1 0 379.504 3.672 20 30 GHEDRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431923223 840468701 /nfs/dbraw/zinc/46/87/01/840468701.db2.gz CEZPOXDPJSGHRG-FQEVSTJZSA-N 1 0 386.540 3.610 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000509764260 844558599 /nfs/dbraw/zinc/55/85/99/844558599.db2.gz XNABVWLOKSCLLC-GCJKJVERSA-N 1 0 376.504 3.658 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC000610809712 844563281 /nfs/dbraw/zinc/56/32/81/844563281.db2.gz QEOLFVSTLFJTCX-CVDCTZTESA-N 1 0 389.547 3.565 20 30 GHEDRO O=C1CC[C@@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]2N1C1CC1 ZINC000119969062 840713384 /nfs/dbraw/zinc/71/33/84/840713384.db2.gz JWEXDNKEWCUOEM-APWZRJJASA-N 1 0 376.422 3.532 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](CO)CC(C)C)cc1OC ZINC000584746382 840735840 /nfs/dbraw/zinc/73/58/40/840735840.db2.gz GXXZFOPDHVSTFY-HNNXBMFYSA-N 1 0 386.330 3.861 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1(C)CCCC1 ZINC000581227069 840898092 /nfs/dbraw/zinc/89/80/92/840898092.db2.gz PSFJLCCMPLZNNV-KRWDZBQOSA-N 1 0 398.551 3.621 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000584807617 840946415 /nfs/dbraw/zinc/94/64/15/840946415.db2.gz HVMDWTVUGGJUHH-NRFANRHFSA-N 1 0 393.535 3.595 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](CC)c2ccc(I)cc2)CC1 ZINC000610812107 844592472 /nfs/dbraw/zinc/59/24/72/844592472.db2.gz BOTMZHMTVLTDOE-KRWDZBQOSA-N 1 0 384.305 3.982 20 30 GHEDRO CN(CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H]1CCSC1 ZINC000124532299 840989568 /nfs/dbraw/zinc/98/95/68/840989568.db2.gz RRBCWJXCSRMQEB-MRXNPFEDSA-N 1 0 385.464 3.865 20 30 GHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc(F)c1Br ZINC000417551880 840993254 /nfs/dbraw/zinc/99/32/54/840993254.db2.gz PDGPKDYPTHYDAY-UHFFFAOYSA-N 1 0 385.281 3.596 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)c1C#N ZINC000584877030 841151975 /nfs/dbraw/zinc/15/19/75/841151975.db2.gz KCCAIQDESRDZST-UHFFFAOYSA-N 1 0 393.413 3.526 20 30 GHEDRO N#Cc1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000120278461 841254541 /nfs/dbraw/zinc/25/45/41/841254541.db2.gz ISWMVCUPYPWZSN-QGZVFWFLSA-N 1 0 375.394 3.756 20 30 GHEDRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685386 861196051 /nfs/dbraw/zinc/19/60/51/861196051.db2.gz FCEAJIACQGMFFN-HLLBOEOZSA-N 1 0 388.943 3.781 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)C1 ZINC000651699853 841394824 /nfs/dbraw/zinc/39/48/24/841394824.db2.gz JLSRVGDGZIJFQE-CABCVRRESA-N 1 0 395.341 3.912 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000603803609 861199852 /nfs/dbraw/zinc/19/98/52/861199852.db2.gz OUGGTUMQTSKYBB-FQEVSTJZSA-N 1 0 382.533 3.844 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3cccs3)C3CC3)CC2)cc1 ZINC000603803684 861199902 /nfs/dbraw/zinc/19/99/02/861199902.db2.gz XCQFXCZTYDNGDV-OAQYLSRUSA-N 1 0 394.544 3.988 20 30 GHEDRO Cc1ccc2nc(C)c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2c1 ZINC000044566260 841423105 /nfs/dbraw/zinc/42/31/05/841423105.db2.gz MJQGUHUMPNMYRY-UHFFFAOYSA-N 1 0 386.499 3.927 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000500103866 841443111 /nfs/dbraw/zinc/44/31/11/841443111.db2.gz FAKSWQVBTSQQEV-COPCDDAFSA-N 1 0 376.504 3.994 20 30 GHEDRO O=C(Nc1ccnc(OCC(F)(F)F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000329250349 861206883 /nfs/dbraw/zinc/20/68/83/861206883.db2.gz XOJKUCXSAMQWMD-UHFFFAOYSA-N 1 0 386.418 3.756 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000593762503 861217391 /nfs/dbraw/zinc/21/73/91/861217391.db2.gz WXPWTYOAFVLMOW-JTSKRJEESA-N 1 0 376.460 3.943 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)C1 ZINC000661380675 841685052 /nfs/dbraw/zinc/68/50/52/841685052.db2.gz IKBHZZJPYCXNJE-AWEZNQCLSA-N 1 0 383.414 3.890 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000581594261 841742043 /nfs/dbraw/zinc/74/20/43/841742043.db2.gz IPVCXQZCNYQBMW-JOCHJYFZSA-N 1 0 375.472 3.741 20 30 GHEDRO CC1(C(=O)NCc2cc(F)c(C#N)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000581617653 841795927 /nfs/dbraw/zinc/79/59/27/841795927.db2.gz YKTIIHNHEXFZCS-UHFFFAOYSA-N 1 0 383.442 3.755 20 30 GHEDRO O=C1[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CCN1CC(F)(F)F ZINC000656689523 841810176 /nfs/dbraw/zinc/81/01/76/841810176.db2.gz UJMKUBTXVSWNTO-VIFPVBQESA-N 1 0 388.274 3.793 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874368 841889765 /nfs/dbraw/zinc/88/97/65/841889765.db2.gz RDLWVPDEKFKZOY-KZNAEPCWSA-N 1 0 377.488 3.512 20 30 GHEDRO COC1CC[NH+](C2(C/N=C/c3cc(Br)ccc3O)CCCC2)CC1 ZINC000730733310 861247738 /nfs/dbraw/zinc/24/77/38/861247738.db2.gz WSFYALVGLFZXDG-FYJGNVAPSA-N 1 0 395.341 3.997 20 30 GHEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000603842786 861256707 /nfs/dbraw/zinc/25/67/07/861256707.db2.gz DVGWKAXTMCLDII-HNNXBMFYSA-N 1 0 376.298 3.530 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc(C#N)c1 ZINC000432335343 842075621 /nfs/dbraw/zinc/07/56/21/842075621.db2.gz KBZLAXWYHCEFKZ-SCLBCKFNSA-N 1 0 384.277 3.777 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000066905791 842082245 /nfs/dbraw/zinc/08/22/45/842082245.db2.gz BEHCDGKUJBASFH-UHFFFAOYSA-N 1 0 385.458 3.956 20 30 GHEDRO CNC(=O)c1cccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000066904976 842083601 /nfs/dbraw/zinc/08/36/01/842083601.db2.gz RAEYYCZSNTVVOD-UHFFFAOYSA-N 1 0 385.467 3.787 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccc(C#N)cc1F ZINC000178171339 842303117 /nfs/dbraw/zinc/30/31/17/842303117.db2.gz UOIYSGMVGDEHSO-IRXDYDNUSA-N 1 0 394.494 3.653 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329339543 861300471 /nfs/dbraw/zinc/30/04/71/861300471.db2.gz ZCCLLZJKLJKJJP-OALUTQOASA-N 1 0 386.540 3.797 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)on2)c1 ZINC000279039895 842502303 /nfs/dbraw/zinc/50/23/03/842502303.db2.gz ADPWIGXELSLNES-IBGZPJMESA-N 1 0 384.439 3.838 20 30 GHEDRO CC(C)(CO)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000182049829 842511779 /nfs/dbraw/zinc/51/17/79/842511779.db2.gz AUPYZAIFAHRVHI-XMMPIXPASA-N 1 0 391.559 3.915 20 30 GHEDRO CCCCOc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1OCCCC ZINC000603886341 861330889 /nfs/dbraw/zinc/33/08/89/861330889.db2.gz ZPFYWICMUSZDST-UHFFFAOYSA-N 1 0 387.524 3.762 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000891695369 842661708 /nfs/dbraw/zinc/66/17/08/842661708.db2.gz XZHWNTJVCYUFLW-UHFFFAOYSA-N 1 0 380.439 3.832 20 30 GHEDRO C=CCc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000107601813 842753523 /nfs/dbraw/zinc/75/35/23/842753523.db2.gz QNDMVFBZHCMNLN-ROUUACIJSA-N 1 0 388.552 3.920 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000510523380 842894145 /nfs/dbraw/zinc/89/41/45/842894145.db2.gz UHHSFFJSGBACAA-FQEVSTJZSA-N 1 0 380.492 3.944 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000549653951 842953067 /nfs/dbraw/zinc/95/30/67/842953067.db2.gz GDRDALBYDKOBEB-UHFFFAOYSA-N 1 0 395.551 3.582 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1C ZINC000261968217 843033916 /nfs/dbraw/zinc/03/39/16/843033916.db2.gz CFINEAMBMAWADM-UHFFFAOYSA-N 1 0 381.476 3.507 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc(OC)c1 ZINC000279430914 843056333 /nfs/dbraw/zinc/05/63/33/843056333.db2.gz QKQGLJMQVOBJGY-UHFFFAOYSA-N 1 0 391.475 3.508 20 30 GHEDRO C[N@H+](CCOCc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279467759 843071548 /nfs/dbraw/zinc/07/15/48/843071548.db2.gz VBBPURHNMAOYOS-UHFFFAOYSA-N 1 0 375.476 3.507 20 30 GHEDRO CC(C)CCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279474866 843074910 /nfs/dbraw/zinc/07/49/10/843074910.db2.gz WAFWEVVYXMJQJP-UHFFFAOYSA-N 1 0 381.524 3.886 20 30 GHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)n2)C1 ZINC000329404338 861377386 /nfs/dbraw/zinc/37/73/86/861377386.db2.gz CHWBDUCQRAIZJM-PVAVHDDUSA-N 1 0 394.585 3.649 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599594903 861380711 /nfs/dbraw/zinc/38/07/11/861380711.db2.gz MUWVBMMIQQVDCA-IIBYNOLFSA-N 1 0 389.565 3.940 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCCCC1 ZINC000548393637 843124333 /nfs/dbraw/zinc/12/43/33/843124333.db2.gz LJQOUMKMULTTQV-UHFFFAOYSA-N 1 0 396.535 3.863 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3csc(C#N)c3)CCCC2)cc1OC ZINC000893698035 843189536 /nfs/dbraw/zinc/18/95/36/843189536.db2.gz YPNGCRFLZUOAFW-UHFFFAOYSA-N 1 0 385.489 3.678 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)CCCC1 ZINC000650553458 843210833 /nfs/dbraw/zinc/21/08/33/843210833.db2.gz LXVGRSZZEXZRDP-UHFFFAOYSA-N 1 0 385.552 3.778 20 30 GHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662426816 843221028 /nfs/dbraw/zinc/22/10/28/843221028.db2.gz DJEVDIYXLDEOIG-LBPRGKRZSA-N 1 0 386.311 3.800 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CCC[NH2+]1 ZINC000662473183 843302732 /nfs/dbraw/zinc/30/27/32/843302732.db2.gz YNYRTOQULLLLST-GAJHUEQPSA-N 1 0 377.488 3.814 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)cc1F ZINC000512296237 843339451 /nfs/dbraw/zinc/33/94/51/843339451.db2.gz PFNHDJTUUKOQFG-SUMWQHHRSA-N 1 0 379.414 3.761 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000067012615 843385210 /nfs/dbraw/zinc/38/52/10/843385210.db2.gz GTZUIJPJQYNHHR-IBGZPJMESA-N 1 0 393.535 3.801 20 30 GHEDRO C=CCOc1cccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000510740184 843386872 /nfs/dbraw/zinc/38/68/72/843386872.db2.gz VQXRARNYGRSKFO-UHFFFAOYSA-N 1 0 394.519 3.585 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000471907826 843412355 /nfs/dbraw/zinc/41/23/55/843412355.db2.gz AIKXCFIOBPTTPF-IFMALSPDSA-N 1 0 387.568 3.911 20 30 GHEDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662571972 843414532 /nfs/dbraw/zinc/41/45/32/843414532.db2.gz LMVASLPHIAESOX-JOYOIKCWSA-N 1 0 386.311 3.833 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000510763811 843435045 /nfs/dbraw/zinc/43/50/45/843435045.db2.gz MPSSUTFBJWVKRE-OAQYLSRUSA-N 1 0 399.878 3.908 20 30 GHEDRO [NH2+]=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccccc1OC(F)(F)F ZINC000178574127 843438172 /nfs/dbraw/zinc/43/81/72/843438172.db2.gz OABSIFDPOMAKNC-UHFFFAOYSA-N 1 0 389.381 3.757 20 30 GHEDRO C[C@H](NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1Cl ZINC000599633100 861424301 /nfs/dbraw/zinc/42/43/01/861424301.db2.gz ZKTXFOOXSHBOEX-INIZCTEOSA-N 1 0 397.906 3.684 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418662710 843511096 /nfs/dbraw/zinc/51/10/96/843511096.db2.gz UWBDITGOFDGOAB-FSSWDIPSSA-N 1 0 376.504 3.948 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccn2)[n+]2cccc(C)c2)s1 ZINC000171086712 861424380 /nfs/dbraw/zinc/42/43/80/861424380.db2.gz PLCINXBGUCBEDY-UHFFFAOYSA-O 1 0 396.561 3.819 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccccc2C)C(=S)NCCc2ccccn2)c1 ZINC000171086662 861424393 /nfs/dbraw/zinc/42/43/93/861424393.db2.gz OCRRRMNSEFGODN-UHFFFAOYSA-O 1 0 390.532 3.757 20 30 GHEDRO C[NH+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N(C)C[C@@H]1CCOC1 ZINC000261642151 843534422 /nfs/dbraw/zinc/53/44/22/843534422.db2.gz LBWBZWWHLSQZCV-AWEZNQCLSA-N 1 0 384.505 3.600 20 30 GHEDRO C[NH+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N(C)C[C@H]1CCOC1 ZINC000261642152 843534614 /nfs/dbraw/zinc/53/46/14/843534614.db2.gz LBWBZWWHLSQZCV-CQSZACIVSA-N 1 0 384.505 3.600 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CCN(CCOc3ccccc3)CC2)c1 ZINC000303211047 843715279 /nfs/dbraw/zinc/71/52/79/843715279.db2.gz RKACYYBZYJZFCA-UHFFFAOYSA-N 1 0 395.503 3.870 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)ccc1Cl ZINC000512439901 843809323 /nfs/dbraw/zinc/80/93/23/843809323.db2.gz YCMUSDMZQUMGGQ-ZWKOTPCHSA-N 1 0 391.943 3.911 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](COC(F)F)C2)sc2c1CCCCC2 ZINC000512824317 843810822 /nfs/dbraw/zinc/81/08/22/843810822.db2.gz QQPQOJIOXKMVBV-CYBMUJFWSA-N 1 0 397.491 3.778 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](CCC)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000549668952 843853221 /nfs/dbraw/zinc/85/32/21/843853221.db2.gz CTYOJPCJDCNGID-UHFFFAOYSA-N 1 0 391.466 3.515 20 30 GHEDRO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCN1CCCC1 ZINC000512481226 843966393 /nfs/dbraw/zinc/96/63/93/843966393.db2.gz SQYHSLOKZOTJLG-UHFFFAOYSA-N 1 0 388.581 3.635 20 30 GHEDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000333082787 843980263 /nfs/dbraw/zinc/98/02/63/843980263.db2.gz XMNZEFBEBKSHAV-SPYBWZPUSA-N 1 0 389.565 3.866 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000512922671 843989380 /nfs/dbraw/zinc/98/93/80/843989380.db2.gz LBKNRDHDPXTDIL-QFIPXVFZSA-N 1 0 394.519 3.790 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(C)C ZINC001211530677 844637768 /nfs/dbraw/zinc/63/77/68/844637768.db2.gz IUXLUTNHEMKQRT-FQEVSTJZSA-N 1 0 397.629 3.566 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432945594 844709017 /nfs/dbraw/zinc/70/90/17/844709017.db2.gz SWOHCNFZVQFJFE-UHFFFAOYSA-N 1 0 384.954 3.840 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000512622074 844768711 /nfs/dbraw/zinc/76/87/11/844768711.db2.gz IMZWGUOHLPNVLN-UHFFFAOYSA-N 1 0 375.472 3.974 20 30 GHEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000614160024 844789804 /nfs/dbraw/zinc/78/98/04/844789804.db2.gz OQTWITRJIAGPCO-UHFFFAOYSA-N 1 0 379.479 3.975 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000246378250 844802255 /nfs/dbraw/zinc/80/22/55/844802255.db2.gz MOBSLAFCPGDDCJ-HJYANYFWSA-N 1 0 381.520 3.715 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000512631550 844822740 /nfs/dbraw/zinc/82/27/40/844822740.db2.gz RMTBNDJYKFKDGW-NVXWUHKLSA-N 1 0 383.467 3.892 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1nc(-c2ccccc2)ccc1C#N ZINC001167939293 844848745 /nfs/dbraw/zinc/84/87/45/844848745.db2.gz SJMYFRKZVAUBAO-IBGZPJMESA-N 1 0 380.492 3.871 20 30 GHEDRO COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731210435 861505702 /nfs/dbraw/zinc/50/57/02/861505702.db2.gz NDNCNTLQJQHZPX-UHFFFAOYSA-N 1 0 375.266 3.992 20 30 GHEDRO C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512640884 844867999 /nfs/dbraw/zinc/86/79/99/844867999.db2.gz BEIMMOKRDBCQPO-KRWDZBQOSA-N 1 0 379.479 3.972 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000512646807 844874425 /nfs/dbraw/zinc/87/44/25/844874425.db2.gz DHTQNCIMCRGFBQ-QRWLVFNGSA-N 1 0 383.467 3.966 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000151145720 844987692 /nfs/dbraw/zinc/98/76/92/844987692.db2.gz UVMJSOWEEQQCGB-OALUTQOASA-N 1 0 383.442 3.530 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cccc(-n4ccnc4)c3)C2)CC1 ZINC000329486956 861519881 /nfs/dbraw/zinc/51/98/81/861519881.db2.gz XQSPRGCJABWWHE-NRFANRHFSA-N 1 0 395.551 3.730 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000047139294 845021704 /nfs/dbraw/zinc/02/17/04/845021704.db2.gz OYNVKPSVHHXCMR-UHFFFAOYSA-N 1 0 390.531 3.753 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000513211613 845054563 /nfs/dbraw/zinc/05/45/63/845054563.db2.gz YUYWBNAOKHKVPN-KRWDZBQOSA-N 1 0 375.476 3.777 20 30 GHEDRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000247219148 845056361 /nfs/dbraw/zinc/05/63/61/845056361.db2.gz SLLUUGDHQRVSDI-YLJYHZDGSA-N 1 0 375.488 3.742 20 30 GHEDRO CC(C)[N@@H+](Cc1ccnc(C#N)c1)C[C@@H](O)COc1cccc2ccccc21 ZINC000610992471 845077116 /nfs/dbraw/zinc/07/71/16/845077116.db2.gz IDNCVFSHGYNSLZ-OAQYLSRUSA-N 1 0 375.472 3.757 20 30 GHEDRO C[N@H+](CCS[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)Cc1ccccc1 ZINC000433052584 845087990 /nfs/dbraw/zinc/08/79/90/845087990.db2.gz MWJSGIKXBQIZKK-NRFANRHFSA-N 1 0 379.529 3.919 20 30 GHEDRO Cc1cccc(C(C)C)c1NC(=O)CO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000097604601 845135540 /nfs/dbraw/zinc/13/55/40/845135540.db2.gz NFVPDCGWQATTJM-BUVRLJJBSA-N 1 0 395.503 3.944 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCC#Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000509773292 845140645 /nfs/dbraw/zinc/14/06/45/845140645.db2.gz CIRGHWOUKHUBDF-REWPJTCUSA-N 1 0 375.516 3.638 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)CCCC2 ZINC000329507980 861557668 /nfs/dbraw/zinc/55/76/68/861557668.db2.gz JEQBOILGCRNTMJ-NLSFWIRASA-N 1 0 399.579 3.898 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235808 845370727 /nfs/dbraw/zinc/37/07/27/845370727.db2.gz IBLSMHMPCZGKOO-HKUYNNGSSA-N 1 0 387.487 3.647 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235840 845370838 /nfs/dbraw/zinc/37/08/38/845370838.db2.gz KINKLDJIERVVEZ-QZTJIDSGSA-N 1 0 387.487 3.647 20 30 GHEDRO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O ZINC000512800407 845581502 /nfs/dbraw/zinc/58/15/02/845581502.db2.gz BAIKEXGWMHDILE-IBGZPJMESA-N 1 0 387.499 3.578 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000119579492 845591152 /nfs/dbraw/zinc/59/11/52/845591152.db2.gz WAQMVMBJMDIYKS-RTWAWAEBSA-N 1 0 381.907 3.906 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000277348540 845816321 /nfs/dbraw/zinc/81/63/21/845816321.db2.gz TWWHRVSQEAXDTD-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@@]1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)OCCc2sccc21 ZINC000329543537 861627475 /nfs/dbraw/zinc/62/74/75/861627475.db2.gz FMZGATXGUKWUBA-NRFANRHFSA-N 1 0 391.581 3.837 20 30 GHEDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051406592 846196508 /nfs/dbraw/zinc/19/65/08/846196508.db2.gz FKSLLNJXTVUJIV-SFHVURJKSA-N 1 0 378.394 3.643 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cc1F ZINC000421389729 846205118 /nfs/dbraw/zinc/20/51/18/846205118.db2.gz YDOZLIXNMUISSA-ZDUSSCGKSA-N 1 0 395.247 3.540 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000329557470 861652246 /nfs/dbraw/zinc/65/22/46/861652246.db2.gz QMVLGSZJPGVVJH-ZOBUZTSGSA-N 1 0 375.517 3.651 20 30 GHEDRO CC(C)(C(=O)N1CCN[C@H](c2ccc(Cl)cc2)C1)c1cc(F)cc(C#N)c1 ZINC001168741907 861664487 /nfs/dbraw/zinc/66/44/87/861664487.db2.gz GWHLGGZGLFTURH-IBGZPJMESA-N 1 0 385.870 3.801 20 30 GHEDRO COc1ccc(C[N@H+](CCc2ccccn2)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000280331865 846372165 /nfs/dbraw/zinc/37/21/65/846372165.db2.gz HUCYWJMDOCNGEN-DEOSSOPVSA-N 1 0 387.483 3.740 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414541134 846447266 /nfs/dbraw/zinc/44/72/66/846447266.db2.gz PVVCKCSITUQFSC-FPOVZHCZSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000684767707 846448378 /nfs/dbraw/zinc/44/83/78/846448378.db2.gz PYBJBNNDZFEIQW-RXVVDRJESA-N 1 0 399.560 3.718 20 30 GHEDRO N#Cc1ccc(C2=CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000551703856 846483624 /nfs/dbraw/zinc/48/36/24/846483624.db2.gz LGIGILXIXFAKON-RUZDIDTESA-N 1 0 387.527 3.938 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCOc4c(Br)cccc43)n2c1 ZINC000367048193 846487648 /nfs/dbraw/zinc/48/76/48/846487648.db2.gz RTUSMRALJGIDIN-INIZCTEOSA-N 1 0 383.249 3.582 20 30 GHEDRO C=CCCn1cc(C[NH2+]C[C@H](C)Sc2ccc(Br)cc2)nn1 ZINC000657356604 846503331 /nfs/dbraw/zinc/50/33/31/846503331.db2.gz OIOZYHVRGTWCOA-ZDUSSCGKSA-N 1 0 381.343 3.887 20 30 GHEDRO CS(=O)(=O)[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000502821612 846513214 /nfs/dbraw/zinc/51/32/14/846513214.db2.gz HKNXMNCPLCUCIE-QFIPXVFZSA-N 1 0 396.556 3.785 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)CC1 ZINC000421770050 846573544 /nfs/dbraw/zinc/57/35/44/846573544.db2.gz TXLRIAGERSKKKS-UHFFFAOYSA-N 1 0 396.510 3.661 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000419490845 846586973 /nfs/dbraw/zinc/58/69/73/846586973.db2.gz JBGQGIKUOXPZPK-JOCHJYFZSA-N 1 0 376.504 3.539 20 30 GHEDRO C[C@H]([NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)NC1(C#N)CCC1 ZINC000582174583 846588531 /nfs/dbraw/zinc/58/85/31/846588531.db2.gz KLEGQSSVBFGLBP-BLLLJJGKSA-N 1 0 390.325 3.613 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511091708 846601261 /nfs/dbraw/zinc/60/12/61/846601261.db2.gz MYIMBMMTFZLZSC-MRXNPFEDSA-N 1 0 384.549 3.658 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419622408 846690313 /nfs/dbraw/zinc/69/03/13/846690313.db2.gz SUJKXEMCDCATOE-OAQYLSRUSA-N 1 0 380.492 3.692 20 30 GHEDRO COc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c(F)cc1C#N ZINC000599812943 861707947 /nfs/dbraw/zinc/70/79/47/861707947.db2.gz WIRYMUFIXRTSDN-XOBRGWDASA-N 1 0 384.455 3.827 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(F)c(OC(F)(F)F)c3)CC2)nc1 ZINC001143443759 846739330 /nfs/dbraw/zinc/73/93/30/846739330.db2.gz UKRRUTVLVLOGKY-UHFFFAOYSA-N 1 0 394.372 3.703 20 30 GHEDRO C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261811395 846789419 /nfs/dbraw/zinc/78/94/19/846789419.db2.gz SQMOSNFTTVUEDJ-NJDAHSKKSA-N 1 0 377.573 3.581 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(N2CCCC2)n1 ZINC000611585255 846794994 /nfs/dbraw/zinc/79/49/94/846794994.db2.gz UHZHVKIWVLKSQU-UHFFFAOYSA-N 1 0 386.503 3.552 20 30 GHEDRO COc1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(F)cc1C#N ZINC000599817882 861721207 /nfs/dbraw/zinc/72/12/07/861721207.db2.gz NZFUDRKPFRLFDT-UHFFFAOYSA-N 1 0 396.466 3.740 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1)C(C)C ZINC000183684149 846837980 /nfs/dbraw/zinc/83/79/80/846837980.db2.gz VWQQGOADKSXVDM-UHFFFAOYSA-N 1 0 388.475 3.622 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000422187338 846890596 /nfs/dbraw/zinc/89/05/96/846890596.db2.gz RDCCLYPCJWIOHR-INIZCTEOSA-N 1 0 396.438 3.741 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158135916 847004853 /nfs/dbraw/zinc/00/48/53/847004853.db2.gz SOKGFGXTUFRNBT-UHFFFAOYSA-N 1 0 392.286 3.688 20 30 GHEDRO Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc(C)c1C#N ZINC001268966848 847096560 /nfs/dbraw/zinc/09/65/60/847096560.db2.gz DMUDCRNUSILUME-PKTZIBPZSA-N 1 0 396.579 3.584 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000478741977 847219045 /nfs/dbraw/zinc/21/90/45/847219045.db2.gz RITMVCRZUINGLN-UHFFFAOYSA-N 1 0 376.504 3.889 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC4(C3)Oc3ccccc3O4)CC2)CC1 ZINC000329615222 861779199 /nfs/dbraw/zinc/77/91/99/861779199.db2.gz FHHJEFPTMQWFJZ-UHFFFAOYSA-N 1 0 399.535 3.817 20 30 GHEDRO COc1cc(C[NH2+][C@@H](CO)C2CCCC2)ccc1OCc1cccc(C#N)c1 ZINC000562071949 847431582 /nfs/dbraw/zinc/43/15/82/847431582.db2.gz AMSZIXJJTURIME-NRFANRHFSA-N 1 0 380.488 3.787 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000796660533 847546667 /nfs/dbraw/zinc/54/66/67/847546667.db2.gz WKYSKIMCQBWYBV-UHFFFAOYSA-N 1 0 390.531 3.804 20 30 GHEDRO CC(C)(CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C[NH+]1CCCC1 ZINC000479198158 847558088 /nfs/dbraw/zinc/55/80/88/847558088.db2.gz JEVGFJCIVLJKGG-UHFFFAOYSA-N 1 0 397.548 3.849 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000414674346 847727655 /nfs/dbraw/zinc/72/76/55/847727655.db2.gz DQXSNDMVOBGDSE-VIFPVBQESA-N 1 0 379.251 3.828 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502524862 847966130 /nfs/dbraw/zinc/96/61/30/847966130.db2.gz VUZJIMVMUUYOQB-UHFFFAOYSA-N 1 0 381.863 3.948 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCCCS3)cc2)C[C@@H](C)O1 ZINC000329631721 861852474 /nfs/dbraw/zinc/85/24/74/861852474.db2.gz IJCDHBVOTJLJEN-HLIPFELVSA-N 1 0 391.581 3.585 20 30 GHEDRO Fc1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)ccc1OCC(F)(F)F ZINC000657550237 848183809 /nfs/dbraw/zinc/18/38/09/848183809.db2.gz OVWVOLCJPHKVSP-UHFFFAOYSA-N 1 0 383.267 3.865 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C2(CO)CC2)cc1OCC ZINC000657601629 848305095 /nfs/dbraw/zinc/30/50/95/848305095.db2.gz BILFUHYYTAHWOM-ZDUSSCGKSA-N 1 0 384.314 3.663 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NCC3CC[NH+](C4CC4)CC3)s2)cc1 ZINC000277887377 848332302 /nfs/dbraw/zinc/33/23/02/848332302.db2.gz WQTXTTVCQQDZDG-UHFFFAOYSA-N 1 0 395.532 3.601 20 30 GHEDRO Cc1cc(C)nc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000329643074 861892939 /nfs/dbraw/zinc/89/29/39/861892939.db2.gz YPKKGSIIYTZCNA-WOJBJXKFSA-N 1 0 387.572 3.513 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000604147697 861893264 /nfs/dbraw/zinc/89/32/64/861893264.db2.gz APFILCMOMBZPIV-QHCPKHFHSA-N 1 0 391.515 3.874 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCNc3cccc(Br)c3)CC2)cc1 ZINC000582836963 848527066 /nfs/dbraw/zinc/52/70/66/848527066.db2.gz YSACWDZFRGUGNE-UHFFFAOYSA-N 1 0 399.336 3.991 20 30 GHEDRO N#Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cnc1C(F)(F)F ZINC000582858630 848574613 /nfs/dbraw/zinc/57/46/13/848574613.db2.gz RVBQAUFXBMHXHQ-UHFFFAOYSA-N 1 0 394.441 3.891 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c(C(F)(F)F)c1 ZINC000582874475 848610370 /nfs/dbraw/zinc/61/03/70/848610370.db2.gz KSGXUZJRWHMFCM-KRWDZBQOSA-N 1 0 395.450 3.802 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(CC#N)ccn2)C1 ZINC000583002473 848852026 /nfs/dbraw/zinc/85/20/26/848852026.db2.gz JDLQIQZBCVPLRN-UHFFFAOYSA-N 1 0 387.487 3.508 20 30 GHEDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481666462 861968457 /nfs/dbraw/zinc/96/84/57/861968457.db2.gz FMDXCYMGGKOOTN-WMZHIEFXSA-N 1 0 389.547 3.521 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)o2)c1 ZINC000583090928 849048830 /nfs/dbraw/zinc/04/88/30/849048830.db2.gz YKPIJZSFRBAXJO-XMMPIXPASA-N 1 0 399.498 3.706 20 30 GHEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000583231962 849392034 /nfs/dbraw/zinc/39/20/34/849392034.db2.gz SCZBXNUSEPIRAM-AQTBWJFISA-N 1 0 378.476 3.934 20 30 GHEDRO [NH2+]=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)Nc1cc(F)ccc1F ZINC000262332967 862025414 /nfs/dbraw/zinc/02/54/14/862025414.db2.gz YKTWWFICRPTHJL-AZUAARDMSA-N 1 0 377.410 3.604 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434756517 849743834 /nfs/dbraw/zinc/74/38/34/849743834.db2.gz NEYRNFQCCHRZDO-JOCHJYFZSA-N 1 0 395.547 3.567 20 30 GHEDRO CCCOc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC ZINC000503925640 849765397 /nfs/dbraw/zinc/76/53/97/849765397.db2.gz HOTAYJHYPNZAON-HXUWFJFHSA-N 1 0 393.487 3.641 20 30 GHEDRO CCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000604273760 862056910 /nfs/dbraw/zinc/05/69/10/862056910.db2.gz GBBYEEHDEGMAGT-CQSZACIVSA-N 1 0 375.538 3.574 20 30 GHEDRO CC[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000061498376 862059970 /nfs/dbraw/zinc/05/99/70/862059970.db2.gz ZLOLFNIRLNDCJN-QFIPXVFZSA-N 1 0 393.556 3.745 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000504086177 849878186 /nfs/dbraw/zinc/87/81/86/849878186.db2.gz IEMOCOIZGQFVMX-JOCHJYFZSA-N 1 0 392.478 3.799 20 30 GHEDRO CC(C)[NH+](CCN(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000504425912 850059725 /nfs/dbraw/zinc/05/97/25/850059725.db2.gz DJFOPWUHEGMQAN-UHFFFAOYSA-N 1 0 383.458 3.817 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000504421167 850066511 /nfs/dbraw/zinc/06/65/11/850066511.db2.gz DUEPELGTXABLPJ-LAUBAEHRSA-N 1 0 379.504 3.551 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000506610079 850087007 /nfs/dbraw/zinc/08/70/07/850087007.db2.gz GFQVMLVQEIXLNU-NRFANRHFSA-N 1 0 386.442 3.810 20 30 GHEDRO CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424071389 850185151 /nfs/dbraw/zinc/18/51/51/850185151.db2.gz ZYCVKRMDAUUNJU-OAQYLSRUSA-N 1 0 387.487 3.519 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000424117704 850231492 /nfs/dbraw/zinc/23/14/92/850231492.db2.gz BPTMWTPOERPEMG-RTBURBONSA-N 1 0 389.613 3.981 20 30 GHEDRO COc1ccc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2Cl)c(C)c1 ZINC000424123833 850238609 /nfs/dbraw/zinc/23/86/09/850238609.db2.gz LPHNDOQBIXIADO-PMACEKPBSA-N 1 0 385.895 3.884 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C12CCCC2 ZINC000439668957 850252739 /nfs/dbraw/zinc/25/27/39/850252739.db2.gz FSBSFBNMTAEWCJ-DUXKGJEZSA-N 1 0 399.535 3.658 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000424165199 850271683 /nfs/dbraw/zinc/27/16/83/850271683.db2.gz ABQNEAPOBUKYAV-AAEUAGOBSA-N 1 0 392.240 3.740 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000424231102 850301577 /nfs/dbraw/zinc/30/15/77/850301577.db2.gz AYORLSHKPJWKLJ-SFHVURJKSA-N 1 0 375.586 3.877 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000424254385 850315059 /nfs/dbraw/zinc/31/50/59/850315059.db2.gz SWVHRNOXEZBMRS-GOSISDBHSA-N 1 0 375.586 3.735 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000424240059 850328148 /nfs/dbraw/zinc/32/81/48/850328148.db2.gz HZABFALGGQISIY-FUHWJXTLSA-N 1 0 375.586 3.733 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H]1C ZINC000443897920 862117127 /nfs/dbraw/zinc/11/71/27/862117127.db2.gz GQMILFNLUJDQOH-PGRDOPGGSA-N 1 0 376.504 3.818 20 30 GHEDRO C=CC[C@@H]1N(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CCCC1(C)C ZINC000435295797 850340034 /nfs/dbraw/zinc/34/00/34/850340034.db2.gz CKWVWSMGMGTOIG-OALUTQOASA-N 1 0 399.535 3.604 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000435332229 850381444 /nfs/dbraw/zinc/38/14/44/850381444.db2.gz LCTPBFPNMJCZCO-NRFANRHFSA-N 1 0 381.451 3.707 20 30 GHEDRO N#CCc1ccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000514859207 850395885 /nfs/dbraw/zinc/39/58/85/850395885.db2.gz KOICDKUSAWMMTF-UHFFFAOYSA-N 1 0 382.533 3.526 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262002959 850490109 /nfs/dbraw/zinc/49/01/09/850490109.db2.gz UXGJNRAMNMYROV-DOTOQJQBSA-N 1 0 398.536 3.648 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(CC#N)cc3)cc2)C1 ZINC000514933981 850504975 /nfs/dbraw/zinc/50/49/75/850504975.db2.gz GAKQYPJXPWSVGC-LJQANCHMSA-N 1 0 390.531 3.984 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000569722887 850510272 /nfs/dbraw/zinc/51/02/72/850510272.db2.gz HDPMGBQDYKQYDL-VXKWHMMOSA-N 1 0 382.529 3.936 20 30 GHEDRO C=CCN(CC(F)(F)F)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435491177 850574670 /nfs/dbraw/zinc/57/46/70/850574670.db2.gz AFFQZUFWHSHYHR-UHFFFAOYSA-N 1 0 393.453 3.985 20 30 GHEDRO C[C@@H](Sc1cccc(F)c1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514989402 850581535 /nfs/dbraw/zinc/58/15/35/850581535.db2.gz JCJQBXSNCRSMIJ-NVXWUHKLSA-N 1 0 383.492 3.569 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1C#N ZINC000435561780 850646000 /nfs/dbraw/zinc/64/60/00/850646000.db2.gz YHOWYXSXXUSUME-HXUWFJFHSA-N 1 0 380.492 3.640 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Cc2c(F)cccc2C#N)[NH+]2CCCCC2)cc1 ZINC000505169984 850680943 /nfs/dbraw/zinc/68/09/43/850680943.db2.gz XXGMYEXSBGWTOJ-QFIPXVFZSA-N 1 0 395.478 3.592 20 30 GHEDRO C=C(C)Cn1c(C2CCOCC2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000909275155 850682020 /nfs/dbraw/zinc/68/20/20/850682020.db2.gz KKOLFYMUPOXHQR-UHFFFAOYSA-N 1 0 389.588 3.697 20 30 GHEDRO C=C(C)Cn1c(-c2cccnn2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000909314501 850702035 /nfs/dbraw/zinc/70/20/35/850702035.db2.gz SKUBAMCZMLOLLE-UHFFFAOYSA-N 1 0 395.555 3.546 20 30 GHEDRO Cc1ccc(SCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000043863357 850802903 /nfs/dbraw/zinc/80/29/03/850802903.db2.gz OSFGYGAGHIFACZ-UHFFFAOYSA-N 1 0 396.560 3.732 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000435736464 850823775 /nfs/dbraw/zinc/82/37/75/850823775.db2.gz ANUKEPCTTHMMBL-RHSMWYFYSA-N 1 0 384.314 3.927 20 30 GHEDRO Cc1nc(SCC(=O)N(C)CC[NH+](C(C)C)C(C)C)c(C#N)c(C)c1C ZINC000505403318 850900077 /nfs/dbraw/zinc/90/00/77/850900077.db2.gz ORZJLNXSDXHNMC-UHFFFAOYSA-N 1 0 376.570 3.548 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000048684494 850925418 /nfs/dbraw/zinc/92/54/18/850925418.db2.gz ZEXFBZLIHUSKHV-UHFFFAOYSA-N 1 0 392.484 3.700 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000435884944 850936723 /nfs/dbraw/zinc/93/67/23/850936723.db2.gz YXYOTKWYEBNPHH-SCLBCKFNSA-N 1 0 384.277 3.777 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000513863377 850942177 /nfs/dbraw/zinc/94/21/77/850942177.db2.gz HMSTYJFEOMELRH-GOSISDBHSA-N 1 0 382.464 3.817 20 30 GHEDRO CC(C)C(=O)NC1CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000329715536 862210134 /nfs/dbraw/zinc/21/01/34/862210134.db2.gz VCYHUOZKLYSXAI-IAGOWNOFSA-N 1 0 378.561 3.630 20 30 GHEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000425088337 851200453 /nfs/dbraw/zinc/20/04/53/851200453.db2.gz POASTIOVBMLFDZ-CQSZACIVSA-N 1 0 390.409 3.716 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910869303 851437773 /nfs/dbraw/zinc/43/77/73/851437773.db2.gz KOXOAMNYXZAQRZ-UHFFFAOYSA-N 1 0 376.566 3.520 20 30 GHEDRO C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000488376538 851442121 /nfs/dbraw/zinc/44/21/21/851442121.db2.gz DPGWOCPANUVLJZ-GOSISDBHSA-N 1 0 375.513 3.988 20 30 GHEDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1C(C)(C)C#N ZINC000425532915 851544764 /nfs/dbraw/zinc/54/47/64/851544764.db2.gz CFPALHRJXVKKRM-UHFFFAOYSA-N 1 0 375.472 3.606 20 30 GHEDRO CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000488540939 851596755 /nfs/dbraw/zinc/59/67/55/851596755.db2.gz OWYAWLLYJSNZAQ-IBGZPJMESA-N 1 0 379.504 3.895 20 30 GHEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000555951559 862269114 /nfs/dbraw/zinc/26/91/14/862269114.db2.gz AAAIRNLUNAENLW-UHFFFAOYSA-N 1 0 385.533 3.701 20 30 GHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc4c[nH+]cn4c3)c2)c1 ZINC000550178219 851831586 /nfs/dbraw/zinc/83/15/86/851831586.db2.gz DUYWWYILSHZTEX-UHFFFAOYSA-N 1 0 381.395 3.711 20 30 GHEDRO C=CC1CCN(C(=O)Nc2ccc(OC)c(OCC[NH+](CC)CC)c2)CC1 ZINC000111743879 851918496 /nfs/dbraw/zinc/91/84/96/851918496.db2.gz UQCIJHWCWQPUSI-UHFFFAOYSA-N 1 0 375.513 3.846 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000437997933 851934410 /nfs/dbraw/zinc/93/44/10/851934410.db2.gz MMSBMPGAIMSIFK-FGZHOGPDSA-N 1 0 397.563 3.665 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000438000812 851937031 /nfs/dbraw/zinc/93/70/31/851937031.db2.gz QEDAJCPHFQAHIQ-TYPHKJRUSA-N 1 0 385.552 3.930 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H](CC#N)C3)o2)CC1 ZINC000894695597 851944610 /nfs/dbraw/zinc/94/46/10/851944610.db2.gz PYJIINJOOVCBBP-IRXDYDNUSA-N 1 0 388.512 3.509 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(C)c1 ZINC000329772137 862312688 /nfs/dbraw/zinc/31/26/88/862312688.db2.gz HFUYMSNJCUVWOV-LJQANCHMSA-N 1 0 392.503 3.942 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438143395 852077455 /nfs/dbraw/zinc/07/74/55/852077455.db2.gz UUAZUGJAIPBPGU-OFNKIYASSA-N 1 0 396.535 3.806 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000550239523 852084089 /nfs/dbraw/zinc/08/40/89/852084089.db2.gz UPYILQYORJZJCD-CYBMUJFWSA-N 1 0 397.841 3.826 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000517563649 852118432 /nfs/dbraw/zinc/11/84/32/852118432.db2.gz IFCYYGBQJZNAPZ-UHFFFAOYSA-N 1 0 390.462 3.692 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1cccc(Cl)c1 ZINC000517662840 852237329 /nfs/dbraw/zinc/23/73/29/852237329.db2.gz BWDHARNFPXIQML-UHFFFAOYSA-N 1 0 385.895 3.571 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@@H+]1C ZINC000489374759 852275672 /nfs/dbraw/zinc/27/56/72/852275672.db2.gz OOMGXHHBYRDFRT-FQEVSTJZSA-N 1 0 381.451 3.902 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000517739611 852327413 /nfs/dbraw/zinc/32/74/13/852327413.db2.gz LUXIICXMMLJHHM-BBWFWOEESA-N 1 0 395.469 3.723 20 30 GHEDRO COc1cc(C[N@H+](CC(C)(C)O)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000426767705 852393229 /nfs/dbraw/zinc/39/32/29/852393229.db2.gz PRZGJQURCKKEIP-UHFFFAOYSA-N 1 0 380.488 3.881 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)CC2([NH+](C)C)CCC2)cc1OC ZINC000438479328 852454620 /nfs/dbraw/zinc/45/46/20/852454620.db2.gz BTZSRQHRZVDXBW-UHFFFAOYSA-N 1 0 397.357 3.939 20 30 GHEDRO Cc1sc2ncnc(SCC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)c2c1C ZINC000329837122 862359582 /nfs/dbraw/zinc/35/95/82/862359582.db2.gz MSKHMIDYJLFYRW-IINYFYTJSA-N 1 0 376.551 3.839 20 30 GHEDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506249193 852465416 /nfs/dbraw/zinc/46/54/16/852465416.db2.gz SEBCYDUZRWZXPD-UHFFFAOYSA-N 1 0 394.475 3.573 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029080910 852493408 /nfs/dbraw/zinc/49/34/08/852493408.db2.gz KCPDLXMSOQYTOV-LJQANCHMSA-N 1 0 391.515 3.874 20 30 GHEDRO C=CCC[C@H](C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000489685374 852510507 /nfs/dbraw/zinc/51/05/07/852510507.db2.gz VKKQIDPSTXSMSK-QHCPKHFHSA-N 1 0 383.580 3.753 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000489741661 852564077 /nfs/dbraw/zinc/56/40/77/852564077.db2.gz MUQIJURBCLDQDF-HNNXBMFYSA-N 1 0 378.398 3.569 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000505930177 852629337 /nfs/dbraw/zinc/62/93/37/852629337.db2.gz LNZULCGBSAYHPI-NQIIRXRSSA-N 1 0 385.577 3.904 20 30 GHEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000481841581 862380558 /nfs/dbraw/zinc/38/05/58/862380558.db2.gz YCIPXPMFRIBJLP-APWZRJJASA-N 1 0 394.357 3.756 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000507236642 852696381 /nfs/dbraw/zinc/69/63/81/852696381.db2.gz XYYAOVZBQWNLBT-HUUCEWRRSA-N 1 0 379.439 3.688 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@@H]1C ZINC000437104513 852740533 /nfs/dbraw/zinc/74/05/33/852740533.db2.gz FWMSQWWQPYUGKU-JAACCIHXSA-N 1 0 385.508 3.601 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427122207 852752488 /nfs/dbraw/zinc/75/24/88/852752488.db2.gz ARSYILVFINIAFA-RDJZCZTQSA-N 1 0 395.341 3.596 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000516604733 852767436 /nfs/dbraw/zinc/76/74/36/852767436.db2.gz CAWXJUMPAFNCSD-FXAWDEMLSA-N 1 0 390.535 3.846 20 30 GHEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000507409352 852881206 /nfs/dbraw/zinc/88/12/06/852881206.db2.gz WHCAHCBUEUJIPG-JLHGSKIFSA-N 1 0 377.488 3.844 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000912933028 852900173 /nfs/dbraw/zinc/90/01/73/852900173.db2.gz ULXNPELOLYBLMN-QFIPXVFZSA-N 1 0 388.515 3.571 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000329899020 862406667 /nfs/dbraw/zinc/40/66/67/862406667.db2.gz FEZUJXAEOIEBQO-CVEARBPZSA-N 1 0 378.398 3.823 20 30 GHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2coc(C3CCOCC3)n2)CC1 ZINC000329899213 862406943 /nfs/dbraw/zinc/40/69/43/862406943.db2.gz FIWAKRBVJSLGCS-UHFFFAOYSA-N 1 0 384.480 3.711 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000518148111 852929695 /nfs/dbraw/zinc/92/96/95/852929695.db2.gz ZADNBVYJOODBGN-GCJKJVERSA-N 1 0 397.544 3.545 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000438853028 852995476 /nfs/dbraw/zinc/99/54/76/852995476.db2.gz NZDMLYQFHUCSMQ-OAQYLSRUSA-N 1 0 386.540 3.564 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000518177798 853004362 /nfs/dbraw/zinc/00/43/62/853004362.db2.gz YAFRTITZGRAPIL-QHCPKHFHSA-N 1 0 391.515 3.696 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)ccc1C#N ZINC000490550750 853086349 /nfs/dbraw/zinc/08/63/49/853086349.db2.gz ZNSOLFVIVBWAAZ-HNNXBMFYSA-N 1 0 378.398 3.699 20 30 GHEDRO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000518263366 853135134 /nfs/dbraw/zinc/13/51/34/853135134.db2.gz JCOXHHOCIPEDLA-UHFFFAOYSA-N 1 0 399.494 3.885 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000760020473 853135961 /nfs/dbraw/zinc/13/59/61/853135961.db2.gz WGPQDEBULYADTP-WIYYLYMNSA-N 1 0 381.545 3.857 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000507666296 853148975 /nfs/dbraw/zinc/14/89/75/853148975.db2.gz ZDZWEVKCKAICMP-UHFFFAOYSA-N 1 0 378.520 3.688 20 30 GHEDRO CS(=O)(=O)Nc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507654916 853156211 /nfs/dbraw/zinc/15/62/11/853156211.db2.gz YDHFEYQAZDYWAJ-UHFFFAOYSA-N 1 0 383.517 3.552 20 30 GHEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000490653019 853176774 /nfs/dbraw/zinc/17/67/74/853176774.db2.gz SIQPSMMWOYDFDD-JOCHJYFZSA-N 1 0 393.487 3.533 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)cc1OCCCC#N ZINC000507683185 853177700 /nfs/dbraw/zinc/17/77/00/853177700.db2.gz JMJNHBLJJVVDRU-UHFFFAOYSA-N 1 0 381.476 3.816 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@](C)(O)CC2)c2cccs2)CC1 ZINC000329936051 862437389 /nfs/dbraw/zinc/43/73/89/862437389.db2.gz KTQLHIVTIRQKHJ-XLIONFOSSA-N 1 0 379.570 3.672 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437562916 853271011 /nfs/dbraw/zinc/27/10/11/853271011.db2.gz ZTQOYHMEZOSDEU-GGPKGHCWSA-N 1 0 391.581 3.802 20 30 GHEDRO CC(C)CNC(=O)c1cccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000518432718 853341553 /nfs/dbraw/zinc/34/15/53/853341553.db2.gz BBYWBUJFEOMCCZ-UHFFFAOYSA-N 1 0 379.504 3.593 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000437634349 853342443 /nfs/dbraw/zinc/34/24/43/853342443.db2.gz LKGULMCMXUKPGJ-COPCDDAFSA-N 1 0 385.552 3.841 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000437634350 853342482 /nfs/dbraw/zinc/34/24/82/853342482.db2.gz LKGULMCMXUKPGJ-NYVOZVTQSA-N 1 0 385.552 3.841 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000437640199 853352666 /nfs/dbraw/zinc/35/26/66/853352666.db2.gz FLHOYASMEHOXLE-VXKWHMMOSA-N 1 0 385.552 3.843 20 30 GHEDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000249540976 853435390 /nfs/dbraw/zinc/43/53/90/853435390.db2.gz DXCQMIBWRQZHFI-BTYIYWSLSA-N 1 0 389.565 3.558 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)s1 ZINC000586757866 853525114 /nfs/dbraw/zinc/52/51/14/853525114.db2.gz LLAPAGKBAZMFAW-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO C[C@H]1C[C@H]1c1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000732762888 862480445 /nfs/dbraw/zinc/48/04/45/862480445.db2.gz CHMJMNLHQVXIIG-OXJNMPFZSA-N 1 0 396.560 3.866 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506565555 853622761 /nfs/dbraw/zinc/62/27/61/853622761.db2.gz VPJUQNKOFYJXPK-MQSCRBSSSA-N 1 0 386.580 3.741 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c1O ZINC000163913576 853627036 /nfs/dbraw/zinc/62/70/36/853627036.db2.gz KSOIBFHSSCQWFR-UHFFFAOYSA-N 1 0 394.515 3.786 20 30 GHEDRO C[C@@H](NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1)c1ccccc1 ZINC000055013566 853628952 /nfs/dbraw/zinc/62/89/52/853628952.db2.gz IYOAQTOICRMXNC-QGZVFWFLSA-O 1 0 391.516 3.756 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)OCO2)C(=S)NC(C)(C)C ZINC000055014311 853634500 /nfs/dbraw/zinc/63/45/00/853634500.db2.gz JTLBOFCWKXQUAI-UHFFFAOYSA-O 1 0 385.509 3.592 20 30 GHEDRO CC(C)NC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(N(C)C)cc1 ZINC000044557698 853657568 /nfs/dbraw/zinc/65/75/68/853657568.db2.gz RBWJQOJFBMNQCL-UHFFFAOYSA-O 1 0 382.509 3.723 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000517335609 853665635 /nfs/dbraw/zinc/66/56/35/853665635.db2.gz SUNGDLVACIMBTI-QGZVFWFLSA-N 1 0 389.540 3.741 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000517335608 853666086 /nfs/dbraw/zinc/66/60/86/853666086.db2.gz SUNGDLVACIMBTI-KRWDZBQOSA-N 1 0 389.540 3.741 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000517400529 853726548 /nfs/dbraw/zinc/72/65/48/853726548.db2.gz WFNWPNQMGVIPAZ-UHFFFAOYSA-N 1 0 393.512 3.952 20 30 GHEDRO C[C@H]1C[NH+](CCCCNc2cc(Br)c(C#N)cc2F)C[C@H](C)O1 ZINC000571562714 853949615 /nfs/dbraw/zinc/94/96/15/853949615.db2.gz COKGTZYOVRBGHY-STQMWFEESA-N 1 0 384.293 3.761 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000520220284 853971853 /nfs/dbraw/zinc/97/18/53/853971853.db2.gz XLPLBLCBQQMKCJ-GOSISDBHSA-N 1 0 396.434 3.658 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000481911242 862526145 /nfs/dbraw/zinc/52/61/45/862526145.db2.gz PTVSAEGPWBJSMS-XMMPIXPASA-N 1 0 375.516 3.948 20 30 GHEDRO N#CCn1c(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2ccccc21 ZINC000587991853 854061200 /nfs/dbraw/zinc/06/12/00/854061200.db2.gz DKJIZMDCIVOUHN-RUZDIDTESA-N 1 0 398.510 3.903 20 30 GHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441307565 854082726 /nfs/dbraw/zinc/08/27/26/854082726.db2.gz LMXDBFLNIDOUJC-LJQANCHMSA-N 1 0 392.931 3.557 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CCCCC1 ZINC000520334538 854092122 /nfs/dbraw/zinc/09/21/22/854092122.db2.gz LZLHMWIRQYAOMA-OAQYLSRUSA-N 1 0 392.503 3.986 20 30 GHEDRO CC(C)c1ccc(Cn2nccc2NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000157831880 862531739 /nfs/dbraw/zinc/53/17/39/862531739.db2.gz DBMALEADLTTWMQ-UHFFFAOYSA-N 1 0 396.539 3.754 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588235378 854227521 /nfs/dbraw/zinc/22/75/21/854227521.db2.gz CLSJXYFCVRURKW-OXJNMPFZSA-N 1 0 391.475 3.836 20 30 GHEDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000588242250 854230247 /nfs/dbraw/zinc/23/02/47/854230247.db2.gz DQXIZVMUFSRCDP-AWEZNQCLSA-N 1 0 386.883 3.862 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536265599 854240371 /nfs/dbraw/zinc/24/03/71/854240371.db2.gz UQNANWIAZGULJW-NNWRFLSQSA-N 1 0 377.488 3.523 20 30 GHEDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCCCC#N)CC1 ZINC000588461140 854302536 /nfs/dbraw/zinc/30/25/36/854302536.db2.gz NPTBGUXXJWKELK-UHFFFAOYSA-N 1 0 396.457 3.547 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(C(F)F)cc3)CC2)cc1 ZINC000184454749 854336861 /nfs/dbraw/zinc/33/68/61/854336861.db2.gz DSEUDTPHIQZWNN-UHFFFAOYSA-N 1 0 398.457 3.913 20 30 GHEDRO C[C@@H](C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328663062 854494791 /nfs/dbraw/zinc/49/47/91/854494791.db2.gz AWSZNEROHBLVRS-OTWHNJEPSA-N 1 0 385.552 3.828 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c(C)c1 ZINC000328738183 854522497 /nfs/dbraw/zinc/52/24/97/854522497.db2.gz MABRYYOACMKWPJ-IAGOWNOFSA-N 1 0 383.496 3.807 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N[C@H]1CCCC12CCOCC2 ZINC000328780131 854554543 /nfs/dbraw/zinc/55/45/43/854554543.db2.gz JCBFODWXMMOMIS-SFTDATJTSA-N 1 0 385.552 3.894 20 30 GHEDRO O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC000328800103 854561766 /nfs/dbraw/zinc/56/17/66/854561766.db2.gz HXKFUCAETGXZSJ-INIZCTEOSA-N 1 0 395.463 3.776 20 30 GHEDRO Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)[nH]n1 ZINC000328832098 854566416 /nfs/dbraw/zinc/56/64/16/854566416.db2.gz VOVHAVIAEDVJBH-CTNGQTDRSA-N 1 0 381.524 3.649 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000330108771 862579698 /nfs/dbraw/zinc/57/96/98/862579698.db2.gz OBSZTAYOIUYJQU-VNHYZAJKSA-N 1 0 383.414 3.640 20 30 GHEDRO CN1C(=O)C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328842361 854572417 /nfs/dbraw/zinc/57/24/17/854572417.db2.gz VWEQHFXOWYQXHN-CNDLSXRNSA-N 1 0 393.890 3.582 20 30 GHEDRO CCOc1cc2c(cc1NC(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000328867774 854587430 /nfs/dbraw/zinc/58/74/30/854587430.db2.gz OLMRLAZMOFNDNX-DOTOQJQBSA-N 1 0 387.524 3.618 20 30 GHEDRO CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000328903598 854589289 /nfs/dbraw/zinc/58/92/89/854589289.db2.gz ICFKYPNAPXQQNX-LJQANCHMSA-N 1 0 389.565 3.687 20 30 GHEDRO CC(C)Sc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000588965332 854618084 /nfs/dbraw/zinc/61/80/84/854618084.db2.gz LLSOPKFWZWTHRD-HNNXBMFYSA-N 1 0 389.546 3.578 20 30 GHEDRO C#CCNC(=O)c1ccc(NC[C@H](c2ccccc2Cl)[NH+](CC)CC)nc1 ZINC000732912235 862587062 /nfs/dbraw/zinc/58/70/62/862587062.db2.gz ILEOIYRKFPTOGR-LJQANCHMSA-N 1 0 384.911 3.593 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000328980279 854639186 /nfs/dbraw/zinc/63/91/86/854639186.db2.gz RHSPBGAHBFDCBA-JTYAGIKBSA-N 1 0 384.879 3.708 20 30 GHEDRO COc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc(Br)c1OC ZINC000330464764 854672984 /nfs/dbraw/zinc/67/29/84/854672984.db2.gz FISURZNIRPZRDL-UHFFFAOYSA-N 1 0 399.329 3.891 20 30 GHEDRO Cc1c(Cl)cc(F)c(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1F ZINC000330517641 854680578 /nfs/dbraw/zinc/68/05/78/854680578.db2.gz FSNGUNJYFJMUIV-LBPRGKRZSA-N 1 0 375.847 3.609 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000111769401 854753201 /nfs/dbraw/zinc/75/32/01/854753201.db2.gz MYOPOIKUGZKIQH-UHFFFAOYSA-N 1 0 376.504 3.725 20 30 GHEDRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000330862861 854759961 /nfs/dbraw/zinc/75/99/61/854759961.db2.gz MMTSQDXBOVQLJW-UHFFFAOYSA-N 1 0 399.335 3.507 20 30 GHEDRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000330991821 854792208 /nfs/dbraw/zinc/79/22/08/854792208.db2.gz SNDBUSLWIWHUCY-UHFFFAOYSA-N 1 0 380.920 3.874 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)C[C@H]1C ZINC000331178639 854822885 /nfs/dbraw/zinc/82/28/85/854822885.db2.gz WLCYSYUVIANCTD-MJGOQNOKSA-N 1 0 388.556 3.826 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000045433359 854852756 /nfs/dbraw/zinc/85/27/56/854852756.db2.gz OVVUYGBFTSJBTR-KRWDZBQOSA-N 1 0 395.469 3.868 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1C ZINC000572830437 855007336 /nfs/dbraw/zinc/00/73/36/855007336.db2.gz SCAFYGQHMSCJRN-KSEOMHKRSA-N 1 0 383.536 3.566 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000550412273 855119816 /nfs/dbraw/zinc/11/98/16/855119816.db2.gz FRCQVJDSXRLUGE-UHFFFAOYSA-N 1 0 382.895 3.557 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168626744 855184544 /nfs/dbraw/zinc/18/45/44/855184544.db2.gz YOYKEGOLQTYEQY-TZIWHRDSSA-N 1 0 388.508 3.540 20 30 GHEDRO C=CCc1cc(CNc2cccc(N3CC[NH+](CC)CC3)c2)cc(OC)c1O ZINC000190009522 855257547 /nfs/dbraw/zinc/25/75/47/855257547.db2.gz OAAIMRGWAKTAMK-UHFFFAOYSA-N 1 0 381.520 3.883 20 30 GHEDRO CCc1ccc([C@@H](CNS(=O)(=O)c2cccc(CC#N)c2)[NH+](CC)CC)cc1 ZINC000590064824 855271249 /nfs/dbraw/zinc/27/12/49/855271249.db2.gz MVPIIJBPCBUJRX-JOCHJYFZSA-N 1 0 399.560 3.676 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)c(Br)c1 ZINC000590192521 855315987 /nfs/dbraw/zinc/31/59/87/855315987.db2.gz DWQFHLDYBUFLNQ-SECBINFHSA-N 1 0 382.258 3.811 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590194972 855317555 /nfs/dbraw/zinc/31/75/55/855317555.db2.gz OJVHODHMMBVGBK-LLVKDONJSA-N 1 0 376.229 3.749 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000025867541 855365843 /nfs/dbraw/zinc/36/58/43/855365843.db2.gz JUOUUOUSEQKIBK-NRFANRHFSA-N 1 0 376.456 3.788 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000132850919 855444799 /nfs/dbraw/zinc/44/47/99/855444799.db2.gz XBXMRUPVXRKYTN-SFHVURJKSA-N 1 0 394.519 3.671 20 30 GHEDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000572968993 855447107 /nfs/dbraw/zinc/44/71/07/855447107.db2.gz ALJDDZSIMXFAMW-UHFFFAOYSA-N 1 0 378.476 3.621 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)c2cc3ccccc3n2CC#N)[NH+](C)C)cc1 ZINC000590532420 855486075 /nfs/dbraw/zinc/48/60/75/855486075.db2.gz ZJRGWBHVWGEBNB-OAQYLSRUSA-N 1 0 392.528 3.919 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCOC2)c1C#N ZINC000107688633 855516811 /nfs/dbraw/zinc/51/68/11/855516811.db2.gz KLSPDIJDRQEPFX-SFHVURJKSA-N 1 0 386.540 3.779 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(F)c3Br)CC2)nc1 ZINC000590644545 855530546 /nfs/dbraw/zinc/53/05/46/855530546.db2.gz RNPIIYLQAQJTBC-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000330245944 862691433 /nfs/dbraw/zinc/69/14/33/862691433.db2.gz KZNQONQSMLCSGT-OXJNMPFZSA-N 1 0 379.508 3.600 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000542730098 855578812 /nfs/dbraw/zinc/57/88/12/855578812.db2.gz RONRRPSPJHGYEG-UHFFFAOYSA-N 1 0 385.895 3.862 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000067400918 855636724 /nfs/dbraw/zinc/63/67/24/855636724.db2.gz RCOGUKYOPCOYHN-JOCHJYFZSA-N 1 0 397.906 3.986 20 30 GHEDRO N#Cc1cc(Cl)ccc1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000301213414 855641085 /nfs/dbraw/zinc/64/10/85/855641085.db2.gz WKOJVUVBJFMKGY-QGZVFWFLSA-N 1 0 382.895 3.521 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056727888 855641686 /nfs/dbraw/zinc/64/16/86/855641686.db2.gz QSAGPEQRZAIKBO-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000590883687 855645697 /nfs/dbraw/zinc/64/56/97/855645697.db2.gz XBLQBHSNBGITBQ-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO N#Cc1cccc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000301279115 855652931 /nfs/dbraw/zinc/65/29/31/855652931.db2.gz NENNUAMQPBWYJL-UHFFFAOYSA-N 1 0 383.499 3.888 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000590944281 855667689 /nfs/dbraw/zinc/66/76/89/855667689.db2.gz YYUUCZONYPYSPH-FPOVZHCZSA-N 1 0 380.536 3.766 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466604238 862711370 /nfs/dbraw/zinc/71/13/70/862711370.db2.gz MFKZCGLCPIXHOK-MSOLQXFVSA-N 1 0 387.528 3.786 20 30 GHEDRO N#Cc1ccnc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000301625459 855728539 /nfs/dbraw/zinc/72/85/39/855728539.db2.gz ARYCQQKSZABFJF-UHFFFAOYSA-N 1 0 385.855 3.839 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000330279145 862716350 /nfs/dbraw/zinc/71/63/50/862716350.db2.gz QOSCUDGASXMNOR-NQIIRXRSSA-N 1 0 395.551 3.791 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CCC3)C2)c1C#N ZINC000591061917 855761815 /nfs/dbraw/zinc/76/18/15/855761815.db2.gz NZMMZXXCOIGQEL-GOSISDBHSA-N 1 0 380.492 3.678 20 30 GHEDRO N#Cc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301963687 855789822 /nfs/dbraw/zinc/78/98/22/855789822.db2.gz VDCAMUIUUARDTL-UHFFFAOYSA-N 1 0 388.431 3.738 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1CC[NH2+]CC1 ZINC000591278026 855879947 /nfs/dbraw/zinc/87/99/47/855879947.db2.gz JTIXACJFYFSBNZ-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(C#N)cc1N(C)C ZINC000591306582 855901815 /nfs/dbraw/zinc/90/18/15/855901815.db2.gz QLUVNEXABXCSEN-UHFFFAOYSA-N 1 0 376.504 3.783 20 30 GHEDRO C[C@@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591356577 855950270 /nfs/dbraw/zinc/95/02/70/855950270.db2.gz AGDQBINMAOMZRC-MSOLQXFVSA-N 1 0 376.504 3.975 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000542811556 855967517 /nfs/dbraw/zinc/96/75/17/855967517.db2.gz SAKWQJBPZOVMEY-WZONZLPQSA-N 1 0 399.498 3.649 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC#Cc1ccccc1 ZINC000591424574 855971797 /nfs/dbraw/zinc/97/17/97/855971797.db2.gz AGZMXIBZENTORI-HXUWFJFHSA-N 1 0 376.500 3.721 20 30 GHEDRO N#Cc1ccsc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000140065171 856015534 /nfs/dbraw/zinc/01/55/34/856015534.db2.gz VUFWLXDUOULIGK-UXHICEINSA-N 1 0 394.544 3.545 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000123193291 856077069 /nfs/dbraw/zinc/07/70/69/856077069.db2.gz FVHOISVMKJTCFL-UWJYYQICSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000171307137 856083225 /nfs/dbraw/zinc/08/32/25/856083225.db2.gz LEOGXEHQYYQJDC-KDURUIRLSA-N 1 0 382.552 3.990 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000171716880 856240673 /nfs/dbraw/zinc/24/06/73/856240673.db2.gz PQIRSIFZPMYCOX-UHFFFAOYSA-N 1 0 379.504 3.715 20 30 GHEDRO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000171769344 862775302 /nfs/dbraw/zinc/77/53/02/862775302.db2.gz LGEHHAIJRLIPGV-UHFFFAOYSA-N 1 0 389.455 3.861 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[NH+](C)C)cc1 ZINC000109290041 856270297 /nfs/dbraw/zinc/27/02/97/856270297.db2.gz YPEJTRSMWNNFSZ-RBBKRZOGSA-N 1 0 379.504 3.689 20 30 GHEDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000280962595 862778458 /nfs/dbraw/zinc/77/84/58/862778458.db2.gz KQBCNYSVRROSRC-CXAGYDPISA-N 1 0 380.366 3.872 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)cc1OC ZINC000185284485 856304811 /nfs/dbraw/zinc/30/48/11/856304811.db2.gz HSNUFTCWRNAVFZ-UHFFFAOYSA-N 1 0 395.503 3.654 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573611173 856315086 /nfs/dbraw/zinc/31/50/86/856315086.db2.gz XEMIOQHDCGMPJK-FQEVSTJZSA-N 1 0 392.503 3.991 20 30 GHEDRO COc1ccc([C@@H]2C[C@H]([NH+]3CCN(c4ccc(C#N)cc4F)CC3)CCO2)cc1 ZINC001168666449 856354602 /nfs/dbraw/zinc/35/46/02/856354602.db2.gz VXRVAGHJPRURGO-XXBNENTESA-N 1 0 395.478 3.748 20 30 GHEDRO N#Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000172229973 856375163 /nfs/dbraw/zinc/37/51/63/856375163.db2.gz SUSJHVUEBANURH-IBGZPJMESA-N 1 0 387.405 3.510 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000109870213 856383569 /nfs/dbraw/zinc/38/35/69/856383569.db2.gz PFFNVHGCPVSKIF-KRWDZBQOSA-N 1 0 378.476 3.626 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195407404 856404519 /nfs/dbraw/zinc/40/45/19/856404519.db2.gz SMOIFJLIAXIYRC-UHFFFAOYSA-N 1 0 395.316 3.977 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CCOCC1 ZINC000905601085 856406798 /nfs/dbraw/zinc/40/67/98/856406798.db2.gz DNZHFAPYOFWLDU-WPYKKVEZSA-N 1 0 392.499 3.912 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N1CCC(CCC#N)CC1)[NH+]1CCCC1 ZINC000591896509 856410460 /nfs/dbraw/zinc/41/04/60/856410460.db2.gz PYJKUHSLVCNLQX-FQEVSTJZSA-N 1 0 384.524 3.557 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000624839538 856451215 /nfs/dbraw/zinc/45/12/15/856451215.db2.gz ILFIPTSDRHRDLN-HLAWJBBLSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000624842601 856491925 /nfs/dbraw/zinc/49/19/25/856491925.db2.gz WWRBLIYEUOTOIF-QKNQBKEWSA-N 1 0 395.551 3.662 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000615812448 856632637 /nfs/dbraw/zinc/63/26/37/856632637.db2.gz JMCHTFCYNUCXSD-UHFFFAOYSA-N 1 0 393.531 3.584 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)Nc2c4ccccc4sc2C(=O)N3)cc1 ZINC000172860524 856638014 /nfs/dbraw/zinc/63/80/14/856638014.db2.gz YSDWKAKZNWBWDX-UHFFFAOYSA-N 1 0 388.496 3.921 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(C#N)ccc1F ZINC000888364061 856670510 /nfs/dbraw/zinc/67/05/10/856670510.db2.gz YGHQMSUDYINZRX-UHFFFAOYSA-N 1 0 381.455 3.863 20 30 GHEDRO CCCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCc2ncsc2C1 ZINC000592188942 856687154 /nfs/dbraw/zinc/68/71/54/856687154.db2.gz RRTBXBARQLEARK-RTBURBONSA-N 1 0 399.560 3.608 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062410862 856714826 /nfs/dbraw/zinc/71/48/26/856714826.db2.gz RNQQLGBGCAHGEL-UHFFFAOYSA-N 1 0 384.455 3.692 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159575745 862834046 /nfs/dbraw/zinc/83/40/46/862834046.db2.gz QAKODJJWSGRLAL-PXNSSMCTSA-N 1 0 386.540 3.513 20 30 GHEDRO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000465886510 856769178 /nfs/dbraw/zinc/76/91/78/856769178.db2.gz JKTGTCMPDBEMLS-WTIAFYNJSA-N 1 0 390.531 3.988 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](O)[C@H]3CCc3ccccc3)o2)c1 ZINC000592168673 856773359 /nfs/dbraw/zinc/77/33/59/856773359.db2.gz UVIQWHHHTUGSHA-NHCUHLMSSA-N 1 0 388.471 3.566 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccnc2OCc2ccccc2)CC1 ZINC000592336094 856792617 /nfs/dbraw/zinc/79/26/17/856792617.db2.gz YLQABOFSUMVKQT-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO CCCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCc2ncsc2C1 ZINC000592189464 856792650 /nfs/dbraw/zinc/79/26/50/856792650.db2.gz VNTUOQXACSHIKU-HNNXBMFYSA-N 1 0 386.521 3.823 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ncc(C(C)C)o1 ZINC000733304632 862848618 /nfs/dbraw/zinc/84/86/18/862848618.db2.gz MTXSDIZKXZPIEV-UHFFFAOYSA-N 1 0 375.542 3.896 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(CCc3ccc(OC)cc3)CC2)CC1 ZINC000592524196 856919352 /nfs/dbraw/zinc/91/93/52/856919352.db2.gz XUFNOMLBJZLNOV-UHFFFAOYSA-N 1 0 385.552 3.700 20 30 GHEDRO COc1cc(C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000126907393 856927539 /nfs/dbraw/zinc/92/75/39/856927539.db2.gz MURAFOQAUOUBSG-GOSISDBHSA-N 1 0 388.414 3.866 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000173447443 856934920 /nfs/dbraw/zinc/93/49/20/856934920.db2.gz GMAKPGQGEBOAMU-UHFFFAOYSA-N 1 0 389.478 3.591 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NCCCCC[NH+]3CCCC3)o2)cc1 ZINC000508121368 856953224 /nfs/dbraw/zinc/95/32/24/856953224.db2.gz SLSZWRZRQACKHH-UHFFFAOYSA-N 1 0 381.476 3.726 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1coc(C2CCCCC2)n1 ZINC000485765771 857051186 /nfs/dbraw/zinc/05/11/86/857051186.db2.gz XZSBENDZCNYPHJ-UHFFFAOYSA-N 1 0 380.492 3.798 20 30 GHEDRO COc1ccc(CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1OC(F)F ZINC000237240909 857063697 /nfs/dbraw/zinc/06/36/97/857063697.db2.gz PLOBIGROEPPKBN-AWEZNQCLSA-N 1 0 376.403 3.920 20 30 GHEDRO Cc1onc(CC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)c1C#N ZINC000592867410 857115204 /nfs/dbraw/zinc/11/52/04/857115204.db2.gz RVDAXPOJPDLILE-UHFFFAOYSA-N 1 0 384.505 3.614 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428143413 857135272 /nfs/dbraw/zinc/13/52/72/857135272.db2.gz DEXKRAPVUUUCPW-UHFFFAOYSA-N 1 0 384.568 3.894 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000173815617 857162322 /nfs/dbraw/zinc/16/23/22/857162322.db2.gz OASIWAXFKRVQJI-NRFANRHFSA-N 1 0 391.515 3.941 20 30 GHEDRO Cc1cc(C[N@H+](CCC2(C#N)CCCCC2)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593062222 857180552 /nfs/dbraw/zinc/18/05/52/857180552.db2.gz CTZZPLUKPLBTHR-UHFFFAOYSA-N 1 0 389.565 3.779 20 30 GHEDRO C[C@@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000174031874 857200064 /nfs/dbraw/zinc/20/00/64/857200064.db2.gz GUTJKTNRUBTZLC-QGZVFWFLSA-N 1 0 380.467 3.503 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)c2occc2COc2cccc(C#N)c2)CCCC1 ZINC000186187558 857260021 /nfs/dbraw/zinc/26/00/21/857260021.db2.gz RUZWLOARIXQKLG-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000593216667 857413821 /nfs/dbraw/zinc/41/38/21/857413821.db2.gz JUDDJZBSYACWBN-UHFFFAOYSA-N 1 0 383.495 3.685 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000175115040 857443892 /nfs/dbraw/zinc/44/38/92/857443892.db2.gz UKONVYZTVXHCGM-UHFFFAOYSA-N 1 0 394.494 3.929 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593279889 857476326 /nfs/dbraw/zinc/47/63/26/857476326.db2.gz CDOHSUCSXQCKEY-UHFFFAOYSA-N 1 0 399.560 3.806 20 30 GHEDRO N#CCc1ccc(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000181587183 862931421 /nfs/dbraw/zinc/93/14/21/862931421.db2.gz GUGVLGXACMGKMP-UHFFFAOYSA-N 1 0 392.503 3.591 20 30 GHEDRO CC(C)(C)C1=CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593514673 857593001 /nfs/dbraw/zinc/59/30/01/857593001.db2.gz YLUVDKKZNQSEIJ-UHFFFAOYSA-N 1 0 380.536 3.910 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000593525421 857597096 /nfs/dbraw/zinc/59/70/96/857597096.db2.gz PVTARZGMDAXYJC-OAQYLSRUSA-N 1 0 397.544 3.603 20 30 GHEDRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000486274253 857611457 /nfs/dbraw/zinc/61/14/57/857611457.db2.gz ZZFVQZMJCDNFJA-NPPFBWRTSA-N 1 0 376.504 3.829 20 30 GHEDRO C[C@@H](CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000593556119 857624089 /nfs/dbraw/zinc/62/40/89/857624089.db2.gz JOYKMBPSLLFRIM-SFHVURJKSA-N 1 0 399.560 3.677 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)cc1 ZINC000521115704 857636737 /nfs/dbraw/zinc/63/67/37/857636737.db2.gz AKLJIDRRSKSFSN-HXUWFJFHSA-N 1 0 375.472 3.855 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000574402285 857784552 /nfs/dbraw/zinc/78/45/52/857784552.db2.gz TZPRRNYOJMCJHS-SFHVURJKSA-N 1 0 390.535 3.703 20 30 GHEDRO N#C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(Cl)c1Cl ZINC000594286052 858028438 /nfs/dbraw/zinc/02/84/38/858028438.db2.gz JSQMQFYVGMFBCP-XJKSGUPXSA-N 1 0 398.359 3.892 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000158048301 858172901 /nfs/dbraw/zinc/17/29/01/858172901.db2.gz IHSPOIGGPKNWRY-JOCHJYFZSA-N 1 0 384.451 3.530 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594446846 858178955 /nfs/dbraw/zinc/17/89/55/858178955.db2.gz YEMAXHDQRPVGBZ-NHCUHLMSSA-N 1 0 379.504 3.951 20 30 GHEDRO C[C@@H]1Cc2cc(-c3ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc3)ccc2O1 ZINC000594447196 858179782 /nfs/dbraw/zinc/17/97/82/858179782.db2.gz VDOFMBHVKBFMTO-IERDGZPVSA-N 1 0 377.488 3.704 20 30 GHEDRO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425792 858185186 /nfs/dbraw/zinc/18/51/86/858185186.db2.gz ADLGTRRHSAZLKR-LBPRGKRZSA-N 1 0 388.693 3.851 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)N2CCOCC2)cc1 ZINC000594495237 858191298 /nfs/dbraw/zinc/19/12/98/858191298.db2.gz OLUXLGIYHPFXEG-HSZRJFAPSA-N 1 0 377.532 3.959 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000594501156 858193325 /nfs/dbraw/zinc/19/33/25/858193325.db2.gz DZHOOOTXAMLDGL-QHCPKHFHSA-N 1 0 377.532 3.868 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc(F)cc1C ZINC000594510276 858205359 /nfs/dbraw/zinc/20/53/59/858205359.db2.gz IDIOGXRANPMDNY-LJQANCHMSA-N 1 0 381.495 3.630 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C(N)=O)cc1 ZINC000594717479 858262536 /nfs/dbraw/zinc/26/25/36/858262536.db2.gz MJDNDHOVHCMMGO-ZDUSSCGKSA-N 1 0 381.320 3.728 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1I ZINC000594949933 858343448 /nfs/dbraw/zinc/34/34/48/858343448.db2.gz ITIYGOKNCWRRRT-HZMBPMFUSA-N 1 0 377.653 3.625 20 30 GHEDRO COCCOCc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594981138 858356113 /nfs/dbraw/zinc/35/61/13/858356113.db2.gz VNWBDMLRIWFEFN-UHFFFAOYSA-N 1 0 380.488 3.517 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]([NH+](C)C)CC1 ZINC000574864097 858396859 /nfs/dbraw/zinc/39/68/59/858396859.db2.gz NJMZRZDZQIOFDV-CVEARBPZSA-N 1 0 388.581 3.632 20 30 GHEDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000595232018 858447331 /nfs/dbraw/zinc/44/73/31/858447331.db2.gz OTJMPVGOWLABCB-QGZVFWFLSA-N 1 0 382.512 3.536 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000595270767 858457984 /nfs/dbraw/zinc/45/79/84/858457984.db2.gz TXOCKAREGZKJRQ-FGZHOGPDSA-N 1 0 394.494 3.765 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000595433098 858529185 /nfs/dbraw/zinc/52/91/85/858529185.db2.gz VOQXLZNLGGXHHF-UHFFFAOYSA-N 1 0 376.504 3.586 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511539 858549851 /nfs/dbraw/zinc/54/98/51/858549851.db2.gz SRKYZRCIAHPQHS-VIHQBZHPSA-N 1 0 396.579 3.560 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C2CC2)C2(CO)CCC2)c1C#N ZINC000595532968 858552988 /nfs/dbraw/zinc/55/29/88/858552988.db2.gz DQLUFDKJIVSHHN-UHFFFAOYSA-N 1 0 398.551 3.800 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000161632435 858554755 /nfs/dbraw/zinc/55/47/55/858554755.db2.gz DNLQYVFWCAFQEZ-OAQYLSRUSA-N 1 0 391.515 3.845 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000522078611 858590317 /nfs/dbraw/zinc/59/03/17/858590317.db2.gz KIHCKKGNIOCTSI-UHFFFAOYSA-N 1 0 398.551 3.812 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(N2CCCC2)c1 ZINC000181874631 863042348 /nfs/dbraw/zinc/04/23/48/863042348.db2.gz KRYOZXFGNOJADK-IBGZPJMESA-N 1 0 376.504 3.884 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000595684561 858631900 /nfs/dbraw/zinc/63/19/00/858631900.db2.gz OTAOVXQZFFQQFV-IBGZPJMESA-N 1 0 387.867 3.526 20 30 GHEDRO Cc1cc(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)n(-c2ccc(C)cc2)n1 ZINC000595639483 858634583 /nfs/dbraw/zinc/63/45/83/858634583.db2.gz JKPUUJYTBDPAJS-UHFFFAOYSA-N 1 0 387.487 3.824 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000595640058 858634711 /nfs/dbraw/zinc/63/47/11/858634711.db2.gz NFWUASJAYHOPMY-INIZCTEOSA-N 1 0 378.394 3.842 20 30 GHEDRO CC(C)(C)OC(=O)CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000595719188 858657684 /nfs/dbraw/zinc/65/76/84/858657684.db2.gz OYLKVTBTMYHZML-UHFFFAOYSA-N 1 0 385.508 3.721 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc4occc4c3)CC2)cc1 ZINC000595723147 858659121 /nfs/dbraw/zinc/65/91/21/858659121.db2.gz QVIHZYKAOJUDBM-UHFFFAOYSA-N 1 0 388.471 3.722 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595864966 858698254 /nfs/dbraw/zinc/69/82/54/858698254.db2.gz YJTRDMCFPNUWJT-UHFFFAOYSA-N 1 0 382.552 3.848 20 30 GHEDRO C[NH+](C)CCC[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000595905377 858712111 /nfs/dbraw/zinc/71/21/11/858712111.db2.gz CTZWLNBKDRMLOV-DEOSSOPVSA-N 1 0 391.559 3.929 20 30 GHEDRO COC1(c2noc(CC3CC[NH+](Cc4ccc(F)c(C#N)c4)CC3)n2)CCCC1 ZINC000595914194 858718209 /nfs/dbraw/zinc/71/82/09/858718209.db2.gz DQGBGABIBRBPQG-UHFFFAOYSA-N 1 0 398.482 3.951 20 30 GHEDRO CC(C)(NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000596088037 858779478 /nfs/dbraw/zinc/77/94/78/858779478.db2.gz LKDDNMWWEQFPKC-OAQYLSRUSA-N 1 0 376.504 3.930 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000733613418 863062974 /nfs/dbraw/zinc/06/29/74/863062974.db2.gz TZGYDWGBMAIJMW-NRFANRHFSA-N 1 0 380.488 3.643 20 30 GHEDRO CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593147043 858786087 /nfs/dbraw/zinc/78/60/87/858786087.db2.gz PTQUAWDTCYXMKI-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000181956070 863063884 /nfs/dbraw/zinc/06/38/84/863063884.db2.gz VRUSKRWFRPERJJ-GOEBONIOSA-N 1 0 377.431 3.792 20 30 GHEDRO C=CC[N@@H+](CCOc1ccccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213479 858816837 /nfs/dbraw/zinc/81/68/37/858816837.db2.gz QPGRMCYYKJWMKJ-MRXNPFEDSA-N 1 0 383.883 3.944 20 30 GHEDRO N#Cc1cc(F)c(NCC2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000596314834 858854444 /nfs/dbraw/zinc/85/44/44/858854444.db2.gz SDJJRYDXTDIXQR-UHFFFAOYSA-N 1 0 396.304 3.763 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000596424061 858892552 /nfs/dbraw/zinc/89/25/52/858892552.db2.gz PKTYCKZFIAKIAK-QGZVFWFLSA-N 1 0 375.394 3.756 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596468404 858905034 /nfs/dbraw/zinc/90/50/34/858905034.db2.gz FWRMZPXAQXMXFU-UHFFFAOYSA-N 1 0 394.523 3.543 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184351198 858918580 /nfs/dbraw/zinc/91/85/80/858918580.db2.gz OJUYSBOGZYHRPO-ZIAGYGMSSA-N 1 0 388.512 3.916 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322786 858939606 /nfs/dbraw/zinc/93/96/06/858939606.db2.gz OYHSYTXAUPLPDN-BGYRXZFFSA-N 1 0 379.552 3.921 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)Cc1cc(C)ccc1C ZINC000429294384 858957008 /nfs/dbraw/zinc/95/70/08/858957008.db2.gz MPSCZCKROKTFAS-UHFFFAOYSA-N 1 0 396.535 3.700 20 30 GHEDRO COc1cc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000429299369 858972124 /nfs/dbraw/zinc/97/21/24/858972124.db2.gz YFTHLWBVDOWITR-IRXDYDNUSA-N 1 0 380.488 3.880 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000596637934 858990953 /nfs/dbraw/zinc/99/09/53/858990953.db2.gz ZGVOJBZTAKUALO-PKOBYXMFSA-N 1 0 376.932 3.886 20 30 GHEDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000596695787 859012100 /nfs/dbraw/zinc/01/21/00/859012100.db2.gz BQUGPCVBZWFHNW-NRFANRHFSA-N 1 0 392.503 3.937 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@H](CC#N)C2)ccc1OC ZINC000596711716 859025448 /nfs/dbraw/zinc/02/54/48/859025448.db2.gz NVMITIUTHUOXRZ-QGZVFWFLSA-N 1 0 388.512 3.573 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC[C@@H]1C(F)(F)F ZINC000625857407 859030988 /nfs/dbraw/zinc/03/09/88/859030988.db2.gz LJUSRXRUYMWBNR-SCZZXKLOSA-N 1 0 387.299 3.836 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160711406 859129553 /nfs/dbraw/zinc/12/95/53/859129553.db2.gz AHSLRGNCAXSOCD-OAQYLSRUSA-N 1 0 382.483 3.944 20 30 GHEDRO C=CCC1([NH2+]CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)CCCCC1 ZINC000625935118 859188003 /nfs/dbraw/zinc/18/80/03/859188003.db2.gz NRTRMMJCLGNCHL-UHFFFAOYSA-N 1 0 376.497 3.910 20 30 GHEDRO N#Cc1c(F)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000597004742 859221153 /nfs/dbraw/zinc/22/11/53/859221153.db2.gz HKOPSVLIQDLONK-CYBMUJFWSA-N 1 0 375.444 3.540 20 30 GHEDRO COC[C@H](C)Oc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000596987883 859228937 /nfs/dbraw/zinc/22/89/37/859228937.db2.gz PGEXTRUEMGXKQH-IBGZPJMESA-N 1 0 379.504 3.684 20 30 GHEDRO COc1cc(CN2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cc(OC)c1 ZINC000597025794 859242733 /nfs/dbraw/zinc/24/27/33/859242733.db2.gz HHPSCJRMEHVBLD-UHFFFAOYSA-N 1 0 391.515 3.577 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000160821387 859253405 /nfs/dbraw/zinc/25/34/05/859253405.db2.gz LASLGRGPHXLUML-UHFFFAOYSA-N 1 0 381.524 3.960 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](CNC(=O)CC(F)(F)F)C3)cc2)CC1 ZINC000597128785 859303954 /nfs/dbraw/zinc/30/39/54/859303954.db2.gz LCJDYDDKFBMFTK-INIZCTEOSA-N 1 0 379.426 3.522 20 30 GHEDRO CC[N@H+](CC(=O)NCCCOc1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469568 859323786 /nfs/dbraw/zinc/32/37/86/859323786.db2.gz GSOKTSLMPUQLHB-LJQANCHMSA-N 1 0 379.504 3.835 20 30 GHEDRO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000429433381 859358808 /nfs/dbraw/zinc/35/88/08/859358808.db2.gz YBWSYHKHNVSRHC-DZGCQCFKSA-N 1 0 391.284 3.962 20 30 GHEDRO CC(C)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCC(C)CC1 ZINC000543350694 859362935 /nfs/dbraw/zinc/36/29/35/859362935.db2.gz DXQUWGVBWIZKTA-JOCHJYFZSA-N 1 0 382.552 3.989 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccc(Cl)s3)CC2)c1 ZINC000593313743 859366712 /nfs/dbraw/zinc/36/67/12/859366712.db2.gz OBKRFYJRTSNWEE-UHFFFAOYSA-N 1 0 388.924 3.737 20 30 GHEDRO C=CCOCCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000470778463 859407805 /nfs/dbraw/zinc/40/78/05/859407805.db2.gz GTCWOXOGZCLBKQ-UHFFFAOYSA-N 1 0 381.314 3.692 20 30 GHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CC3(C#N)CCCCC3)cc2)CC1 ZINC000597272108 859416464 /nfs/dbraw/zinc/41/64/64/859416464.db2.gz IIEVNOWJSJDFBY-UHFFFAOYSA-N 1 0 397.523 3.705 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c2ncccc12 ZINC000509436850 859442961 /nfs/dbraw/zinc/44/29/61/859442961.db2.gz FGAVBCKVDLRHAV-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO Cc1cccc2c1CC[C@@H]2NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593338900 859469332 /nfs/dbraw/zinc/46/93/32/859469332.db2.gz NHNNEADRBKYWLK-QHCPKHFHSA-N 1 0 388.515 3.818 20 30 GHEDRO CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593337935 859486569 /nfs/dbraw/zinc/48/65/69/859486569.db2.gz GVEKAIPIDVSQSX-QFIPXVFZSA-N 1 0 390.531 3.843 20 30 GHEDRO C[C@H]1Cc2ccccc2[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593341075 859491812 /nfs/dbraw/zinc/49/18/12/859491812.db2.gz JJQVMKSYCBNVNR-SBUREZEXSA-N 1 0 388.515 3.755 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)C2CC2)cc1OCC ZINC000601774646 859524698 /nfs/dbraw/zinc/52/46/98/859524698.db2.gz VOFOFFMAJJPQRF-SFHVURJKSA-N 1 0 384.314 3.663 20 30 GHEDRO CS(=O)(=O)c1cccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170364647 881431665 /nfs/dbraw/zinc/43/16/65/881431665.db2.gz BTOHMQOLKOPZRK-UHFFFAOYSA-N 1 0 382.529 3.626 20 30 GHEDRO CN1CC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440223 859551833 /nfs/dbraw/zinc/55/18/33/859551833.db2.gz DWGRYEVRSHXWLG-MSOLQXFVSA-N 1 0 393.796 3.804 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000597479005 859566466 /nfs/dbraw/zinc/56/64/66/859566466.db2.gz YCVXJAKICSTJDI-NRFANRHFSA-N 1 0 377.463 3.530 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccc(Cl)cc1 ZINC000060575969 859571653 /nfs/dbraw/zinc/57/16/53/859571653.db2.gz FOULCBAQMZHBCY-UHFFFAOYSA-N 1 0 385.895 3.571 20 30 GHEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000106245520 859587023 /nfs/dbraw/zinc/58/70/23/859587023.db2.gz QHQNPXODKMECSS-UHFFFAOYSA-N 1 0 381.520 3.799 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CSCc1ccc(C#N)cc1 ZINC000611087180 859604472 /nfs/dbraw/zinc/60/44/72/859604472.db2.gz SGNINKWCNFYYBN-UHFFFAOYSA-N 1 0 381.545 3.818 20 30 GHEDRO CC[N@@H+]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000611092187 859606895 /nfs/dbraw/zinc/60/68/95/859606895.db2.gz KSSZAKVMUXPYAZ-GOSISDBHSA-N 1 0 379.504 3.672 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@H]1C ZINC000611095100 859607386 /nfs/dbraw/zinc/60/73/86/859607386.db2.gz SJSIMVFTFRPFIP-MRXNPFEDSA-N 1 0 396.466 3.834 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCC1(F)F)C2 ZINC000593370665 859647020 /nfs/dbraw/zinc/64/70/20/859647020.db2.gz KEDOUMMXQJVSOA-HXUWFJFHSA-N 1 0 381.426 3.558 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593374067 859661104 /nfs/dbraw/zinc/66/11/04/859661104.db2.gz MHXADICTEKPVEN-ROUUACIJSA-N 1 0 388.515 3.740 20 30 GHEDRO CCc1cnccc1[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593382921 859671745 /nfs/dbraw/zinc/67/17/45/859671745.db2.gz ANSYQTLSBQRJQY-KRWDZBQOSA-N 1 0 391.519 3.540 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000922341885 859680374 /nfs/dbraw/zinc/68/03/74/859680374.db2.gz VXJSGMYTVUTWRY-KRWDZBQOSA-N 1 0 393.325 3.776 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069802773 859682331 /nfs/dbraw/zinc/68/23/31/859682331.db2.gz CHQWHLKWSQILHP-OAQYLSRUSA-N 1 0 375.516 3.769 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc(F)c(C#N)c(F)c3)C2)s1 ZINC000597638936 859701605 /nfs/dbraw/zinc/70/16/05/859701605.db2.gz QRGOQUHIELSXIR-CQSZACIVSA-N 1 0 389.471 3.801 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000597641652 859703830 /nfs/dbraw/zinc/70/38/30/859703830.db2.gz HHKYCOUAJMQDBP-CQSZACIVSA-N 1 0 377.822 3.565 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593391635 859705339 /nfs/dbraw/zinc/70/53/39/859705339.db2.gz BEVIUHMULJGYBM-QFIPXVFZSA-N 1 0 376.504 3.740 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)C2)CC1 ZINC000597667642 859716363 /nfs/dbraw/zinc/71/63/63/859716363.db2.gz SZQQAIFPCBJPOG-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN(C)[C@H]3CC[N@@H+](C4CC4)C3)c(=S)o2)cc1 ZINC000764987833 859718899 /nfs/dbraw/zinc/71/88/99/859718899.db2.gz AGONQPGNKSIWGK-KRWDZBQOSA-N 1 0 386.521 3.563 20 30 GHEDRO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611386098 859731005 /nfs/dbraw/zinc/73/10/05/859731005.db2.gz CJQCYQYXABMDMX-CYBMUJFWSA-N 1 0 399.516 3.957 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000611391205 859741455 /nfs/dbraw/zinc/74/14/55/859741455.db2.gz BIQYISWFVHZLBT-PXNSSMCTSA-N 1 0 390.405 3.984 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000611391041 859742309 /nfs/dbraw/zinc/74/23/09/859742309.db2.gz NMCLMDRVWZFCEF-HJPURHCSSA-N 1 0 389.499 3.944 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c1=S ZINC000765023896 859749967 /nfs/dbraw/zinc/74/99/67/859749967.db2.gz ABHNUVXVJVMNEW-LJQANCHMSA-N 1 0 397.592 3.951 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCC(c4ccc(O)cc4)CC3)CC2)nc1 ZINC000611438599 859761375 /nfs/dbraw/zinc/76/13/75/859761375.db2.gz CXWOBACMENHQMI-UHFFFAOYSA-N 1 0 376.504 3.944 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000543453812 859767098 /nfs/dbraw/zinc/76/70/98/859767098.db2.gz FMLCWDOCQWZCEL-HXUWFJFHSA-N 1 0 375.497 3.810 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)CC1 ZINC000765100549 859787109 /nfs/dbraw/zinc/78/71/09/859787109.db2.gz YOQKIEPHDMEKSG-UHFFFAOYSA-N 1 0 387.321 3.563 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(-c4cnco4)c3)CC2)c1 ZINC000597820406 859829985 /nfs/dbraw/zinc/82/99/85/859829985.db2.gz MWEJKDYKHMCRRH-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000597862304 859878196 /nfs/dbraw/zinc/87/81/96/859878196.db2.gz ZRIWVKWCBWBPOR-KRWDZBQOSA-N 1 0 381.476 3.580 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000602265616 859916872 /nfs/dbraw/zinc/91/68/72/859916872.db2.gz VNCBZPFXUUPWAI-UHFFFAOYSA-N 1 0 380.536 3.617 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508920855 860014238 /nfs/dbraw/zinc/01/42/38/860014238.db2.gz KKYGWGKBXNEVNK-HXUWFJFHSA-N 1 0 379.552 3.676 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000602455216 860029191 /nfs/dbraw/zinc/02/91/91/860029191.db2.gz WRZYKGBVVYLYIX-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCc2ccccc21 ZINC000593509644 860065785 /nfs/dbraw/zinc/06/57/85/860065785.db2.gz FSIARGOVUMZONO-QHCPKHFHSA-N 1 0 388.515 3.852 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000602548118 860094772 /nfs/dbraw/zinc/09/47/72/860094772.db2.gz WWTHXZANJOIIQR-DLBZAZTESA-N 1 0 377.479 3.618 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC000922499905 860094991 /nfs/dbraw/zinc/09/49/91/860094991.db2.gz NZXABFMQZMFATN-SFHVURJKSA-N 1 0 392.503 3.674 20 30 GHEDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602565991 860117583 /nfs/dbraw/zinc/11/75/83/860117583.db2.gz UEPFUQXHHNIPGH-OAHLLOKOSA-N 1 0 393.915 3.674 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000598194356 860122848 /nfs/dbraw/zinc/12/28/48/860122848.db2.gz GAIIQWCTXGLNQN-OAQYLSRUSA-N 1 0 386.499 3.554 20 30 GHEDRO CC(C)(C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593516942 860135036 /nfs/dbraw/zinc/13/50/36/860135036.db2.gz QUAWWQWNQHVGMY-FQEVSTJZSA-N 1 0 382.552 3.990 20 30 GHEDRO C=CC[N@@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)CC1CCCCC1 ZINC000484564502 860140527 /nfs/dbraw/zinc/14/05/27/860140527.db2.gz AOTGECAATTZUGC-UHFFFAOYSA-N 1 0 385.552 3.735 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC(C4CCCCC4)C3)CC2)c1 ZINC000593519067 860170636 /nfs/dbraw/zinc/17/06/36/860170636.db2.gz ZYWWAIHBZCLDPN-UHFFFAOYSA-N 1 0 380.536 3.744 20 30 GHEDRO C[C@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1cccc(F)c1 ZINC000922565671 860197886 /nfs/dbraw/zinc/19/78/86/860197886.db2.gz CRVGAHHCGPGOQW-QFIPXVFZSA-N 1 0 378.451 3.600 20 30 GHEDRO N#CCCC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602668978 860201955 /nfs/dbraw/zinc/20/19/55/860201955.db2.gz HAEHYQOKXSYYND-HXUWFJFHSA-N 1 0 379.464 3.983 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(Cc3nccs3)CC2)c(-c2ccncc2)n1 ZINC000602733850 860243059 /nfs/dbraw/zinc/24/30/59/860243059.db2.gz MXZWNSSKGIDRPE-UHFFFAOYSA-N 1 0 392.532 3.770 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154738503 860247322 /nfs/dbraw/zinc/24/73/22/860247322.db2.gz SIRKABMOMVXSGD-OALUTQOASA-N 1 0 398.551 3.541 20 30 GHEDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H](C)N1CC#N ZINC000602861879 860319337 /nfs/dbraw/zinc/31/93/37/860319337.db2.gz MIVVSTHYWPEAKQ-RTBURBONSA-N 1 0 376.504 3.600 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001170374081 881534090 /nfs/dbraw/zinc/53/40/90/881534090.db2.gz RRIYPLPLGAZVTL-MGLWISMCSA-N 1 0 395.547 3.587 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000484942585 860513430 /nfs/dbraw/zinc/51/34/30/860513430.db2.gz ZXEMREHPDRZODC-QFIPXVFZSA-N 1 0 397.519 3.865 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000125058973 860568772 /nfs/dbraw/zinc/56/87/72/860568772.db2.gz CRNHBVRVZNHVRN-UHFFFAOYSA-N 1 0 385.414 3.708 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)CC1 ZINC001170378437 881553926 /nfs/dbraw/zinc/55/39/26/881553926.db2.gz BAEGWCFZRBDYBI-BQCMWAFGSA-N 1 0 389.543 3.569 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000484982349 860570408 /nfs/dbraw/zinc/57/04/08/860570408.db2.gz BUIMKPYRLMSVJB-HDICACEKSA-N 1 0 393.487 3.580 20 30 GHEDRO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)CC#N)C(C)(C)[NH2+]C(C)(C)C2 ZINC000598797801 860576476 /nfs/dbraw/zinc/57/64/76/860576476.db2.gz RDPKCUKDHQVIMG-LLVKDONJSA-N 1 0 377.510 3.572 20 30 GHEDRO CCOC[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)Cc2cnn(C)c21 ZINC001170381189 881557701 /nfs/dbraw/zinc/55/77/01/881557701.db2.gz KAIPMMFLIDDBOW-YGWXTMFKSA-N 1 0 378.520 3.760 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC#Cc3ccccc3Cl)C2)ccn1 ZINC000856587533 881559306 /nfs/dbraw/zinc/55/93/06/881559306.db2.gz ZEPKJOIVQKLNAI-OAQYLSRUSA-N 1 0 383.923 3.692 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000624983470 860621344 /nfs/dbraw/zinc/62/13/44/860621344.db2.gz VYXAANDOPKWCBS-HKUYNNGSSA-N 1 0 375.561 3.651 20 30 GHEDRO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000474709716 860662011 /nfs/dbraw/zinc/66/20/11/860662011.db2.gz OMVMHZUMCHEZHZ-WUZYXKQASA-N 1 0 387.499 3.768 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccnn3-c3ccc(F)cc3)C2)c(F)c1 ZINC000474712311 860668899 /nfs/dbraw/zinc/66/88/99/860668899.db2.gz UQDATOGGYYSKKR-SFHVURJKSA-N 1 0 393.441 3.781 20 30 GHEDRO COc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1OC1CC1 ZINC000598983311 860715178 /nfs/dbraw/zinc/71/51/78/860715178.db2.gz FHBYJRRWGBDFDL-UHFFFAOYSA-N 1 0 378.472 3.904 20 30 GHEDRO COC[C@H](C)Oc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599004436 860722195 /nfs/dbraw/zinc/72/21/95/860722195.db2.gz DAVBZECLTVUDLD-SFHVURJKSA-N 1 0 380.488 3.767 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599636 881575898 /nfs/dbraw/zinc/57/58/98/881575898.db2.gz LTUKWTOPUHKGRD-NRFANRHFSA-N 1 0 382.483 3.586 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000125719200 860757983 /nfs/dbraw/zinc/75/79/83/860757983.db2.gz LWHHJUYRUUXVHZ-ICSRJNTNSA-N 1 0 392.434 3.660 20 30 GHEDRO COc1nc2ccccc2cc1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693017 860863139 /nfs/dbraw/zinc/86/31/39/860863139.db2.gz MAXSBYQWLUBIKB-UHFFFAOYSA-N 1 0 386.499 3.869 20 30 GHEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693060 860864351 /nfs/dbraw/zinc/86/43/51/860864351.db2.gz NOLYLOIEWXXVHU-UHFFFAOYSA-N 1 0 379.552 3.881 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000730108149 860866452 /nfs/dbraw/zinc/86/64/52/860866452.db2.gz BWSCSNHSPYFRBS-IBGZPJMESA-N 1 0 386.540 3.773 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000593693107 860867463 /nfs/dbraw/zinc/86/74/63/860867463.db2.gz PHDQZSABEKSERE-CJFMBICVSA-N 1 0 388.559 3.775 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NCc3nccn3Cc3ccccc3)CC2)c1 ZINC000593693438 860905422 /nfs/dbraw/zinc/90/54/22/860905422.db2.gz ZJKJGBMMXZDKAE-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO Cc1ccccc1C[C@H](C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000600081785 860920849 /nfs/dbraw/zinc/92/08/49/860920849.db2.gz MCTFAMCQRQPXFO-IBGZPJMESA-N 1 0 375.516 3.826 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1COc2ccccc21 ZINC000185557865 860948524 /nfs/dbraw/zinc/94/85/24/860948524.db2.gz NVYYBRRSQAUXDK-KSSFIOAISA-N 1 0 395.528 3.981 20 30 GHEDRO CC[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1c(C)nn(C)c1C ZINC000329026147 860956738 /nfs/dbraw/zinc/95/67/38/860956738.db2.gz OABQGVXXEGRHMO-IBGZPJMESA-N 1 0 375.561 3.646 20 30 GHEDRO CC[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1c(C)nn(C)c1C ZINC000329026149 860956907 /nfs/dbraw/zinc/95/69/07/860956907.db2.gz OABQGVXXEGRHMO-LJQANCHMSA-N 1 0 375.561 3.646 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000329073476 860995459 /nfs/dbraw/zinc/99/54/59/860995459.db2.gz OVCAPRMIQBRVTI-QRVBRYPASA-N 1 0 380.444 3.508 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000329073473 860995706 /nfs/dbraw/zinc/99/57/06/860995706.db2.gz OVCAPRMIQBRVTI-GUDVDZBRSA-N 1 0 380.444 3.508 20 30 GHEDRO CC(C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000185576794 860996560 /nfs/dbraw/zinc/99/65/60/860996560.db2.gz CIOCAHNUYGOXRH-UHFFFAOYSA-O 1 0 378.521 3.661 20 30 GHEDRO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156931964 861015764 /nfs/dbraw/zinc/01/57/64/861015764.db2.gz UWRPZWKLWBBNDE-AUSIDOKSSA-N 1 0 390.531 3.872 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccccc2F)CCOCC1 ZINC000599270809 861019207 /nfs/dbraw/zinc/01/92/07/861019207.db2.gz FKUZSTBDKVMZAJ-OAQYLSRUSA-N 1 0 382.479 3.899 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1OC ZINC000593723370 861019303 /nfs/dbraw/zinc/01/93/03/861019303.db2.gz UQTFWSFIDGEJEC-KRWDZBQOSA-N 1 0 379.504 3.891 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000599350551 861088246 /nfs/dbraw/zinc/08/82/46/861088246.db2.gz TVMXFTGSRWVNPJ-UZLBHIALSA-N 1 0 395.478 3.712 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)CCOCC1 ZINC000599356940 861100679 /nfs/dbraw/zinc/10/06/79/861100679.db2.gz PAJURIWYNRZBSC-DENIHFKCSA-N 1 0 382.479 3.770 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H](OCC)[C@@]23CCCO3)cc1OC ZINC000623492421 861116454 /nfs/dbraw/zinc/11/64/54/861116454.db2.gz YIQYGANMVHFVKR-WSTZPKSXSA-N 1 0 381.900 3.730 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000730503800 861138473 /nfs/dbraw/zinc/13/84/73/861138473.db2.gz RFRICGHVJCUANX-DEOSSOPVSA-N 1 0 388.511 3.562 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]CCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000600149858 861140963 /nfs/dbraw/zinc/14/09/63/861140963.db2.gz FEVMJWLDZGWTFO-IBGZPJMESA-N 1 0 387.405 3.510 20 30 GHEDRO Cc1nc(C)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)s1 ZINC000329214918 861153010 /nfs/dbraw/zinc/15/30/10/861153010.db2.gz LWUAMWGYRSLHMM-ROUUACIJSA-N 1 0 393.601 3.574 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000329219338 861155729 /nfs/dbraw/zinc/15/57/29/861155729.db2.gz AVIJWGBVMKZDBR-LNRXMEIDSA-N 1 0 394.519 3.592 20 30 GHEDRO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000609194656 881620917 /nfs/dbraw/zinc/62/09/17/881620917.db2.gz AKNXILOLOHGFNC-GOSISDBHSA-N 1 0 395.503 3.513 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1F ZINC000182001570 863082016 /nfs/dbraw/zinc/08/20/16/863082016.db2.gz NLBXOWTUDUROAF-AQZMIJIOSA-N 1 0 375.488 3.804 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Br)c(Cl)c1F ZINC000443991143 863112084 /nfs/dbraw/zinc/11/20/84/863112084.db2.gz TVRTWXULXFFRMM-UHFFFAOYSA-N 1 0 390.684 3.549 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000444033458 863179460 /nfs/dbraw/zinc/17/94/60/863179460.db2.gz RIOKMHKFJBNELX-CZUORRHYSA-N 1 0 398.429 3.836 20 30 GHEDRO C=C[C@H](CC(=O)N(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000567980253 863182389 /nfs/dbraw/zinc/18/23/89/863182389.db2.gz VVTHMRKJGRMJFX-TZIWHRDSSA-N 1 0 392.547 3.734 20 30 GHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000159995010 863217970 /nfs/dbraw/zinc/21/79/70/863217970.db2.gz ZDTODZSLTYLYQQ-SFHVURJKSA-N 1 0 391.519 3.519 20 30 GHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000159987445 863226203 /nfs/dbraw/zinc/22/62/03/863226203.db2.gz POXUXWKJUZWLBG-SFHVURJKSA-N 1 0 391.519 3.519 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCCc3ccccc3)nc2)CC1 ZINC000605937434 863309826 /nfs/dbraw/zinc/30/98/26/863309826.db2.gz FEKWIZRSKZYGDL-UHFFFAOYSA-N 1 0 394.519 3.865 20 30 GHEDRO CCCc1c(NC(=O)NCC[NH+]2CCC(C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439700434 863497575 /nfs/dbraw/zinc/49/75/75/863497575.db2.gz HDLNRYMBMPOFOT-UHFFFAOYSA-N 1 0 394.523 3.550 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CC[C@H]2CCCC[N@@H+]2C)c1C#N ZINC000444171876 863590718 /nfs/dbraw/zinc/59/07/18/863590718.db2.gz QGMYWTISDLVCPC-LJQANCHMSA-N 1 0 399.583 3.836 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cn(CCCC#N)c3ccccc23)C[C@H](C)O1 ZINC000444269875 863792579 /nfs/dbraw/zinc/79/25/79/863792579.db2.gz MTSMPCNIKIPODP-KDURUIRLSA-N 1 0 396.535 3.564 20 30 GHEDRO CCCOc1cccc(CNC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594032572 863819371 /nfs/dbraw/zinc/81/93/71/863819371.db2.gz XMORTTUPEIYGEH-UHFFFAOYSA-N 1 0 377.488 3.632 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3CN(Cc4ccccc4)CCCO3)CCC2)cc1 ZINC000594033586 863834450 /nfs/dbraw/zinc/83/44/50/863834450.db2.gz UVFWSETZRPTVHM-HSZRJFAPSA-N 1 0 375.516 3.818 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733993172 863908552 /nfs/dbraw/zinc/90/85/52/863908552.db2.gz ZMSZQPNKCSTLQQ-ROFLEHJCSA-N 1 0 399.416 3.981 20 30 GHEDRO COc1ccccc1N1CC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000262420656 864009271 /nfs/dbraw/zinc/00/92/71/864009271.db2.gz AYPVUZHMGACQNV-QGZVFWFLSA-N 1 0 378.520 3.827 20 30 GHEDRO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000480099015 864058762 /nfs/dbraw/zinc/05/87/62/864058762.db2.gz PJEBDQWMASZGBG-IBGZPJMESA-N 1 0 386.417 3.663 20 30 GHEDRO C[NH+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CC[C@@H](COC)C1 ZINC000262423979 864069505 /nfs/dbraw/zinc/06/95/05/864069505.db2.gz CAGOSEFHALPSMS-CQSZACIVSA-N 1 0 384.505 3.600 20 30 GHEDRO Cc1ccc(F)c(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000734365730 864178769 /nfs/dbraw/zinc/17/87/69/864178769.db2.gz QZPCVYHYAWHYIO-OAHLLOKOSA-N 1 0 385.512 3.714 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1csc(C#N)c1)CC2 ZINC000896971893 864203996 /nfs/dbraw/zinc/20/39/96/864203996.db2.gz VJKFVGIMOLYENY-INIZCTEOSA-N 1 0 391.537 3.516 20 30 GHEDRO C=CCc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc(OC)c1OC ZINC000734445765 864234473 /nfs/dbraw/zinc/23/44/73/864234473.db2.gz NTZKVKRHYGBRIW-UHFFFAOYSA-N 1 0 386.467 3.563 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)c1 ZINC000532313163 881744408 /nfs/dbraw/zinc/74/44/08/881744408.db2.gz FEFLLHRVNAZXPI-UHFFFAOYSA-N 1 0 379.479 3.801 20 30 GHEDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C2 ZINC000621679874 864369756 /nfs/dbraw/zinc/36/97/56/864369756.db2.gz WWMAHHKCKKVDGX-TZMCWYRMSA-N 1 0 398.322 3.929 20 30 GHEDRO C=CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccncc1 ZINC000734678767 864379862 /nfs/dbraw/zinc/37/98/62/864379862.db2.gz CDILOYZLGDFYGS-HXUWFJFHSA-N 1 0 388.462 3.750 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508793516 864476137 /nfs/dbraw/zinc/47/61/37/864476137.db2.gz IENWZBKHDBRJFQ-MJGOQNOKSA-N 1 0 399.514 3.808 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000025867499 864601458 /nfs/dbraw/zinc/60/14/58/864601458.db2.gz GXFKXKHYXWAWPJ-KDOFPFPSSA-N 1 0 389.293 3.606 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000586049638 864610530 /nfs/dbraw/zinc/61/05/30/864610530.db2.gz BSKASUWRDGSZJQ-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000063404099 864657815 /nfs/dbraw/zinc/65/78/15/864657815.db2.gz KWSAMCGPZUPFSW-NRFANRHFSA-N 1 0 396.491 3.904 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000063402048 864657894 /nfs/dbraw/zinc/65/78/94/864657894.db2.gz RNRKAXBIOQQDQD-UHFFFAOYSA-N 1 0 388.512 3.805 20 30 GHEDRO N#Cc1ccc(NCC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000138590394 864669291 /nfs/dbraw/zinc/66/92/91/864669291.db2.gz JSFGNCKNECIRHQ-HXUWFJFHSA-N 1 0 382.895 3.577 20 30 GHEDRO C#Cc1cccc(NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000063390390 864688409 /nfs/dbraw/zinc/68/84/09/864688409.db2.gz BZMWGVTXVPNOKX-UHFFFAOYSA-N 1 0 377.488 3.710 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1OC ZINC000480477434 864723298 /nfs/dbraw/zinc/72/32/98/864723298.db2.gz QVDMMHIRNRBTQK-KRWDZBQOSA-N 1 0 386.330 3.908 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H](C[N@@H+](C)CCC)C2)c1=S ZINC000173446620 864773408 /nfs/dbraw/zinc/77/34/08/864773408.db2.gz DMRYTGYDDRUAFN-HXUWFJFHSA-N 1 0 399.608 3.812 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccc(Cl)cc3C#N)CC2)C[C@H](C)O1 ZINC000480584961 864882841 /nfs/dbraw/zinc/88/28/41/864882841.db2.gz SSTQKPQWESFBIL-CALCHBBNSA-N 1 0 375.944 3.923 20 30 GHEDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(C#N)ccc1C(F)(F)F ZINC000475386718 864914298 /nfs/dbraw/zinc/91/42/98/864914298.db2.gz JTPHKUPKGSUALI-OAHLLOKOSA-N 1 0 389.425 3.595 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4ccc(C#N)[nH]4)cc3)CC2)c1 ZINC000480595633 864932660 /nfs/dbraw/zinc/93/26/60/864932660.db2.gz QXENWLKIJNISMZ-UHFFFAOYSA-N 1 0 399.498 3.769 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000554847618 865001412 /nfs/dbraw/zinc/00/14/12/865001412.db2.gz BBSJHGXIRODKKN-HOTGVXAUSA-N 1 0 385.895 3.788 20 30 GHEDRO COc1ccc([C@H]2[C@H](COC(=O)COc3cccc(C#N)c3)CCC[N@@H+]2C)cc1 ZINC000735899334 865040047 /nfs/dbraw/zinc/04/00/47/865040047.db2.gz UNISFAWXYVVNDD-CVDCTZTESA-N 1 0 394.471 3.572 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184979351 865102006 /nfs/dbraw/zinc/10/20/06/865102006.db2.gz OGALQUNPTIMYPU-FQEVSTJZSA-N 1 0 396.537 3.967 20 30 GHEDRO CCN(CC(=O)Nc1ccccc1SCC#N)C[C@@H](O)c1ccc(C)cc1 ZINC000173834060 865144592 /nfs/dbraw/zinc/14/45/92/865144592.db2.gz XRXGVUOEWGQBDR-LJQANCHMSA-N 1 0 383.517 3.605 20 30 GHEDRO Cc1cc(NC(=O)/C=C/c2ccccc2C#N)ccc1OCC[NH+]1CCCC1 ZINC000736246395 865163757 /nfs/dbraw/zinc/16/37/57/865163757.db2.gz BFTCPKMJZQKHJA-DHZHZOJOSA-N 1 0 375.472 3.993 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000171546657 865287042 /nfs/dbraw/zinc/28/70/42/865287042.db2.gz YEEGKEQCEYNVOL-UHFFFAOYSA-N 1 0 389.341 3.765 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)C[N@@H+](C)CCC)c1ccc2c(c1)OCO2 ZINC000063761889 865291611 /nfs/dbraw/zinc/29/16/11/865291611.db2.gz JZLSTGGBKRXJPH-UHFFFAOYSA-N 1 0 396.487 3.855 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)CC1 ZINC000171725171 865344739 /nfs/dbraw/zinc/34/47/39/865344739.db2.gz FGLRHHNQLLNAKK-UHFFFAOYSA-N 1 0 388.515 3.725 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC)CC1 ZINC000555015908 865347973 /nfs/dbraw/zinc/34/79/73/865347973.db2.gz HPHLZCRXCQPRND-UHFFFAOYSA-N 1 0 380.540 3.785 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000237622676 881866692 /nfs/dbraw/zinc/86/66/92/881866692.db2.gz MLZPEEMOYCBKSU-FQEVSTJZSA-N 1 0 389.478 3.950 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)N(CCC#N)Cc3ccco3)c(C)c2)CC1 ZINC000172043280 865468700 /nfs/dbraw/zinc/46/87/00/865468700.db2.gz GWHTUXLDRGYOLZ-UHFFFAOYSA-N 1 0 395.507 3.678 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCCCC2)nc1-c1ccco1 ZINC000738100389 865487005 /nfs/dbraw/zinc/48/70/05/865487005.db2.gz UVAMBMDBYWTDEC-KRWDZBQOSA-N 1 0 387.553 3.768 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000738105765 865491984 /nfs/dbraw/zinc/49/19/84/865491984.db2.gz CSKLHLCCVDKVCL-PZJWPPBQSA-N 1 0 377.536 3.966 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594232439 865493333 /nfs/dbraw/zinc/49/33/33/865493333.db2.gz UTFXHDPHKFSEHM-CYGODWOOSA-N 1 0 388.515 3.740 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3Cc4cc(F)c(F)cc4C3)CC2)c1 ZINC000594248547 865601706 /nfs/dbraw/zinc/60/17/06/865601706.db2.gz FZGQHZTXEXCYHN-UHFFFAOYSA-N 1 0 396.441 3.526 20 30 GHEDRO C=CCC1(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CCCCC1 ZINC000654021090 865609756 /nfs/dbraw/zinc/60/97/56/865609756.db2.gz NJHGDWAXNDEQCX-UHFFFAOYSA-N 1 0 393.535 3.572 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508481302 865728014 /nfs/dbraw/zinc/72/80/14/865728014.db2.gz PGVWWPSIOKEANW-QZTJIDSGSA-N 1 0 399.514 3.808 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000739438006 865733653 /nfs/dbraw/zinc/73/36/53/865733653.db2.gz SPWZRAJLNDJAHF-KRWDZBQOSA-N 1 0 384.574 3.735 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555247330 865783284 /nfs/dbraw/zinc/78/32/84/865783284.db2.gz CQGTZNMEHLCUQO-FQEVSTJZSA-N 1 0 383.515 3.649 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000555269143 865804292 /nfs/dbraw/zinc/80/42/92/865804292.db2.gz UQDASPZOLGDSBR-PKOBYXMFSA-N 1 0 381.524 3.876 20 30 GHEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000121074344 881907328 /nfs/dbraw/zinc/90/73/28/881907328.db2.gz XXQVLFCPCVHYMZ-UHFFFAOYSA-N 1 0 393.487 3.815 20 30 GHEDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)cc1 ZINC000740011217 865844217 /nfs/dbraw/zinc/84/42/17/865844217.db2.gz KYYDVYHZRGOLFY-UHFFFAOYSA-N 1 0 382.510 3.980 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555292533 865858298 /nfs/dbraw/zinc/85/82/98/865858298.db2.gz MPXXDZJUMOXEDL-CTNGQTDRSA-N 1 0 393.535 3.595 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000174145817 865882147 /nfs/dbraw/zinc/88/21/47/865882147.db2.gz MUOUSAOZBYCSBB-OAQYLSRUSA-N 1 0 377.488 3.596 20 30 GHEDRO CN(C)c1ccc(N2CCC([NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000174564357 865889799 /nfs/dbraw/zinc/88/97/99/865889799.db2.gz KXBMFWQMQZPTFP-UHFFFAOYSA-N 1 0 391.563 3.861 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609017863 865893207 /nfs/dbraw/zinc/89/32/07/865893207.db2.gz IWZOYKYSWJHJDA-XMSQKQJNSA-N 1 0 377.488 3.669 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609018317 865924349 /nfs/dbraw/zinc/92/43/49/865924349.db2.gz UEXVNVXISOSBHW-GHTZIAJQSA-N 1 0 377.488 3.669 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740482911 865928588 /nfs/dbraw/zinc/92/85/88/865928588.db2.gz IHABCUHZKSFXTP-QGZVFWFLSA-N 1 0 382.533 3.770 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740467336 865936386 /nfs/dbraw/zinc/93/63/86/865936386.db2.gz LVBWILSJPBNVOG-INIZCTEOSA-N 1 0 382.533 3.960 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740478835 865940080 /nfs/dbraw/zinc/94/00/80/865940080.db2.gz ORTBJUYUIFINBN-KRWDZBQOSA-N 1 0 382.533 3.818 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)CC1 ZINC000740736297 865973745 /nfs/dbraw/zinc/97/37/45/865973745.db2.gz NGPOZYCECHEUMN-UHFFFAOYSA-N 1 0 397.544 3.815 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3ccc(OCC)cc3)nc2C)CC1 ZINC000740737254 865974699 /nfs/dbraw/zinc/97/46/99/865974699.db2.gz HPSMAHHMFPZSNU-UHFFFAOYSA-N 1 0 397.544 3.735 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C[C@H]1C ZINC000740840816 866036141 /nfs/dbraw/zinc/03/61/41/866036141.db2.gz FXRYHPMEBAQDMB-IERDGZPVSA-N 1 0 378.520 3.911 20 30 GHEDRO CCOc1ccc(CN2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cc1 ZINC000192837383 866047013 /nfs/dbraw/zinc/04/70/13/866047013.db2.gz ARFKFSRGMNRPIJ-UHFFFAOYSA-N 1 0 378.476 3.501 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cc(C#N)c4ccccc4n3)cc2)C[C@H](C)O1 ZINC000609891579 866095188 /nfs/dbraw/zinc/09/51/88/866095188.db2.gz JQWDPEDMTGDZJM-HDICACEKSA-N 1 0 386.499 3.750 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1OC ZINC000534095368 866125043 /nfs/dbraw/zinc/12/50/43/866125043.db2.gz ZWGLMWCSMWXQFK-NVXWUHKLSA-N 1 0 382.298 3.680 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1OC ZINC000534095367 866125385 /nfs/dbraw/zinc/12/53/85/866125385.db2.gz ZWGLMWCSMWXQFK-DOTOQJQBSA-N 1 0 382.298 3.680 20 30 GHEDRO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000475512730 866137282 /nfs/dbraw/zinc/13/72/82/866137282.db2.gz ZZCPDOIPZFLQEZ-ZDUSSCGKSA-N 1 0 393.272 3.612 20 30 GHEDRO Cc1ccc(COCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000857035305 881947468 /nfs/dbraw/zinc/94/74/68/881947468.db2.gz FQGFUDXMSBFHLW-UHFFFAOYSA-N 1 0 392.499 3.861 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)[C@H](C)Oc3ccccc3C#N)CC[N@@H+]2C)cc1 ZINC000741121108 866244589 /nfs/dbraw/zinc/24/45/89/866244589.db2.gz RTRONBLWIQXIIK-DKZVUGQWSA-N 1 0 394.471 3.570 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000456202546 866249939 /nfs/dbraw/zinc/24/99/39/866249939.db2.gz MWHYAJJDLDIMRM-UHFFFAOYSA-N 1 0 379.504 3.987 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000183145843 866255109 /nfs/dbraw/zinc/25/51/09/866255109.db2.gz GZIQUVASMKOKGX-CQSZACIVSA-N 1 0 393.878 3.995 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000741165589 866278549 /nfs/dbraw/zinc/27/85/49/866278549.db2.gz OZHQOOJDONJHQO-WXNJCMIJSA-N 1 0 395.547 3.947 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(COCC(F)(F)F)cc2)c1 ZINC000303791446 866337794 /nfs/dbraw/zinc/33/77/94/866337794.db2.gz XOOPEIXZFVRQIA-UHFFFAOYSA-N 1 0 397.397 3.710 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)cc1Cl ZINC000857061663 881976127 /nfs/dbraw/zinc/97/61/27/881976127.db2.gz TWUXXFRWKLAHHH-FQEVSTJZSA-N 1 0 375.900 3.584 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000741337266 866426155 /nfs/dbraw/zinc/42/61/55/866426155.db2.gz FBRZYIDGCAYEPJ-KRWDZBQOSA-N 1 0 393.487 3.974 20 30 GHEDRO CSc1cccc(N(C(=O)COc2ccc(C#N)cc2)C2CC[NH+](C)CC2)c1 ZINC000112248033 866434911 /nfs/dbraw/zinc/43/49/11/866434911.db2.gz QYICZPATBSIRCU-UHFFFAOYSA-N 1 0 395.528 3.786 20 30 GHEDRO CCCC[NH+]=C(NCCc1cccc(C(=O)N(C)C)c1)NCc1ccc(C)cc1 ZINC000304280617 866472445 /nfs/dbraw/zinc/47/24/45/866472445.db2.gz HBFYEYGXBKWSGC-UHFFFAOYSA-N 1 0 394.563 3.775 20 30 GHEDRO [NH2+]=C(NCc1cccnc1Oc1cccc(F)c1)N[C@@H]1CCOc2ccccc21 ZINC000304504571 866500888 /nfs/dbraw/zinc/50/08/88/866500888.db2.gz TXLDWRLKWYIHPG-LJQANCHMSA-N 1 0 392.434 3.941 20 30 GHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508829424 866534431 /nfs/dbraw/zinc/53/44/31/866534431.db2.gz UMIMEIPVFQBMNK-UHFFFAOYSA-N 1 0 399.514 3.637 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000534330059 866573344 /nfs/dbraw/zinc/57/33/44/866573344.db2.gz NCPHIRFTZHTEPM-FQEVSTJZSA-N 1 0 380.536 3.725 20 30 GHEDRO [NH2+]=C(NCCc1nc2c(s1)CCCC2)NCc1ccc(OC(F)(F)F)cc1 ZINC000305735317 866633208 /nfs/dbraw/zinc/63/32/08/866633208.db2.gz WZXZRURBWKADDX-UHFFFAOYSA-N 1 0 398.454 3.568 20 30 GHEDRO C=C(CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000478807139 866678143 /nfs/dbraw/zinc/67/81/43/866678143.db2.gz OQWRDHFUIUJVFA-BGYRXZFFSA-N 1 0 393.531 3.808 20 30 GHEDRO COc1ccc(CCN[NH+]=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000737440408 866707243 /nfs/dbraw/zinc/70/72/43/866707243.db2.gz HSRXLUXREFYFDZ-UHFFFAOYSA-N 1 0 382.464 3.760 20 30 GHEDRO C[NH+](C)CCc1ccc(CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)cc1 ZINC000553201229 866985309 /nfs/dbraw/zinc/98/53/09/866985309.db2.gz WITSCKNFTLZZEE-UHFFFAOYSA-N 1 0 384.405 3.662 20 30 GHEDRO C=CCc1cc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000523309434 867047465 /nfs/dbraw/zinc/04/74/65/867047465.db2.gz KPOSFZXKIYAAPI-HXUWFJFHSA-N 1 0 397.519 3.534 20 30 GHEDRO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000444711552 867103804 /nfs/dbraw/zinc/10/38/04/867103804.db2.gz XUAAGGLBENKFGR-OAHLLOKOSA-N 1 0 392.341 3.921 20 30 GHEDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3nc(-c4cccc(C#N)c4)c[nH]3)c2)C1 ZINC000857156017 882062860 /nfs/dbraw/zinc/06/28/60/882062860.db2.gz HKPWAZVJKBTWQO-OAQYLSRUSA-N 1 0 399.498 3.688 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@H]1c1ccccc1 ZINC000533948041 867295018 /nfs/dbraw/zinc/29/50/18/867295018.db2.gz MXNUECDKPHTORV-KAOXLYBCSA-N 1 0 388.515 3.913 20 30 GHEDRO CC[N@H+](CCOc1ccc(Br)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000537635904 882078510 /nfs/dbraw/zinc/07/85/10/882078510.db2.gz FEUWVXSILGKSHM-UHFFFAOYSA-N 1 0 399.292 3.869 20 30 GHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc2ccccc12 ZINC000479222086 867342588 /nfs/dbraw/zinc/34/25/88/867342588.db2.gz URTKUNCAIMXBSY-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000553435645 867397785 /nfs/dbraw/zinc/39/77/85/867397785.db2.gz KWXCCCFNGAELDT-GCJKJVERSA-N 1 0 389.499 3.836 20 30 GHEDRO Cc1ccc(OCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000479276440 867464727 /nfs/dbraw/zinc/46/47/27/867464727.db2.gz KSGQNBGWMAHILG-UHFFFAOYSA-N 1 0 391.515 3.747 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154941453 867673550 /nfs/dbraw/zinc/67/35/50/867673550.db2.gz RJSIOXFRHLGAGB-FPOVZHCZSA-N 1 0 376.504 3.898 20 30 GHEDRO CC#CCCCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457114393 867717309 /nfs/dbraw/zinc/71/73/09/867717309.db2.gz KUZJZDXNHOPVHI-UHFFFAOYSA-N 1 0 387.955 3.647 20 30 GHEDRO C=C[C@](C)(O)CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193749 867795637 /nfs/dbraw/zinc/79/56/37/867795637.db2.gz IUOGRGNSNXUAQX-VWNXMTODSA-N 1 0 384.564 3.997 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(OCC#N)c2)[C@H]1c1cccs1 ZINC000743101742 867845048 /nfs/dbraw/zinc/84/50/48/867845048.db2.gz ADDWGRIGFCRCIH-BEFAXECRSA-N 1 0 384.505 3.855 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCNc2nc(C(F)(F)F)ccc2C#N)cc1 ZINC000523754538 867898003 /nfs/dbraw/zinc/89/80/03/867898003.db2.gz IEQGGWIPWUWYTD-UHFFFAOYSA-N 1 0 378.398 3.567 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000743195132 867941188 /nfs/dbraw/zinc/94/11/88/867941188.db2.gz UIGKPINBESKQQI-UHFFFAOYSA-N 1 0 381.451 3.578 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000743201090 867952804 /nfs/dbraw/zinc/95/28/04/867952804.db2.gz FAZFGYZSXYSVKS-GOSISDBHSA-N 1 0 385.439 3.698 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000743202748 867954050 /nfs/dbraw/zinc/95/40/50/867954050.db2.gz TYLDBHJDPPTOBQ-GOSISDBHSA-N 1 0 385.439 3.779 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000457375945 868193452 /nfs/dbraw/zinc/19/34/52/868193452.db2.gz MCCZUELXSNZYCO-PMACEKPBSA-N 1 0 398.478 3.528 20 30 GHEDRO Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000743474458 868223653 /nfs/dbraw/zinc/22/36/53/868223653.db2.gz UAMZRKBZSXTIJH-QHCPKHFHSA-N 1 0 388.515 3.621 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000743491274 868236460 /nfs/dbraw/zinc/23/64/60/868236460.db2.gz ZZBDFMWVKOLLAV-UHFFFAOYSA-N 1 0 388.511 3.920 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508844596 868282164 /nfs/dbraw/zinc/28/21/64/868282164.db2.gz JDPXKXCLSQXKEJ-OALUTQOASA-N 1 0 382.556 3.560 20 30 GHEDRO CCCN(C(=O)c1cc(C)c(C#N)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457525245 868412353 /nfs/dbraw/zinc/41/23/53/868412353.db2.gz HXJBOZKLJNZEBR-OAQYLSRUSA-N 1 0 376.504 3.779 20 30 GHEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000121650058 882198407 /nfs/dbraw/zinc/19/84/07/882198407.db2.gz CROSETIPIKZQLS-QHCPKHFHSA-N 1 0 387.531 3.726 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1OC ZINC000479905082 868686824 /nfs/dbraw/zinc/68/68/24/868686824.db2.gz WOUMAEROZWULIT-CSMYWGQOSA-N 1 0 375.538 3.619 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1OC ZINC000479896354 868698128 /nfs/dbraw/zinc/69/81/28/868698128.db2.gz BNRRAGJQWUVJCB-ATZDWAIDSA-N 1 0 375.488 3.644 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000183930900 868698422 /nfs/dbraw/zinc/69/84/22/868698422.db2.gz PUCWEYUSAYZTRX-QHCPKHFHSA-N 1 0 393.531 3.727 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)C(C)C ZINC000457754672 868745496 /nfs/dbraw/zinc/74/54/96/868745496.db2.gz RLUDTPKFUUDWAR-QHAWAJNXSA-N 1 0 389.584 3.676 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825539 868792831 /nfs/dbraw/zinc/79/28/31/868792831.db2.gz UGODHYUMSIVNQR-IAGOWNOFSA-N 1 0 380.492 3.738 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1c1ccccc1 ZINC000535470183 868822108 /nfs/dbraw/zinc/82/21/08/868822108.db2.gz UDLDDBIUVBFJBO-JTHBVZDNSA-N 1 0 398.466 3.921 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000609080263 868934577 /nfs/dbraw/zinc/93/45/77/868934577.db2.gz FLVIJFYRAGVWOL-UHFFFAOYSA-N 1 0 392.450 3.889 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC1([NH+](C)C)CCC1 ZINC000445873785 869105457 /nfs/dbraw/zinc/10/54/57/869105457.db2.gz GSVNEBMNVZJTML-OAHLLOKOSA-N 1 0 388.581 3.632 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1OCC(=O)N1CCCC1 ZINC000539458719 869175657 /nfs/dbraw/zinc/17/56/57/869175657.db2.gz YNTDBUGAKFMNRX-IBGZPJMESA-N 1 0 383.517 3.862 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000524549069 869239542 /nfs/dbraw/zinc/23/95/42/869239542.db2.gz KAGRNUVNIYNWSQ-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)cc1OC ZINC000133599061 882300636 /nfs/dbraw/zinc/30/06/36/882300636.db2.gz CSZSLGSAXGADMV-UHFFFAOYSA-N 1 0 384.476 3.761 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000609098643 869513994 /nfs/dbraw/zinc/51/39/94/869513994.db2.gz RIADAKFKXVGCOJ-HSZRJFAPSA-N 1 0 388.515 3.804 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)C1 ZINC000446244267 869599440 /nfs/dbraw/zinc/59/94/40/869599440.db2.gz BHFZEBSQTJYZPK-CQSZACIVSA-N 1 0 385.414 3.809 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000524907057 869743089 /nfs/dbraw/zinc/74/30/89/869743089.db2.gz QEIGJGSRONLELW-UHFFFAOYSA-N 1 0 392.402 3.688 20 30 GHEDRO CN(C(=O)CCCC(=O)Nc1ccccc1C#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000428442462 869794250 /nfs/dbraw/zinc/79/42/50/869794250.db2.gz TZMDFXVXPDMEFT-UHFFFAOYSA-N 1 0 398.551 3.780 20 30 GHEDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000857565057 882342442 /nfs/dbraw/zinc/34/24/42/882342442.db2.gz IMGQJLTYMRSNMN-QFBILLFUSA-N 1 0 397.482 3.564 20 30 GHEDRO [NH2+]=C(NCc1ccnc(OC2CCCCC2)c1)N[C@@H]1CCOc2ccccc21 ZINC000262572832 870090390 /nfs/dbraw/zinc/09/03/90/870090390.db2.gz ZJMULMZORWSZJR-LJQANCHMSA-N 1 0 380.492 3.721 20 30 GHEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccc(F)cc2)nnc1-c1cccnc1 ZINC000185685152 870216615 /nfs/dbraw/zinc/21/66/15/870216615.db2.gz XMYXJRRSHGRZNZ-UHFFFAOYSA-N 1 0 383.496 3.889 20 30 GHEDRO N#Cc1c(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cn2ccccc12 ZINC000538666288 870279755 /nfs/dbraw/zinc/27/97/55/870279755.db2.gz QFOPEMHQLMCTHR-SFHVURJKSA-N 1 0 382.471 3.976 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)cc1 ZINC001192347308 870306208 /nfs/dbraw/zinc/30/62/08/870306208.db2.gz FNBKYWPXNMIWOA-HSZRJFAPSA-N 1 0 375.516 3.909 20 30 GHEDRO C=CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732173 870465371 /nfs/dbraw/zinc/46/53/71/870465371.db2.gz QCMKTSNEFTWAMQ-CGQZWFTASA-N 1 0 390.447 3.833 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000181253503 870573519 /nfs/dbraw/zinc/57/35/19/870573519.db2.gz DTFIKBXWQBBQJU-QGZVFWFLSA-N 1 0 378.398 3.718 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508866035 870634686 /nfs/dbraw/zinc/63/46/86/870634686.db2.gz QLLXVGIQHGQICQ-GCJKJVERSA-N 1 0 376.504 3.947 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(NS(C)(=O)=O)c1 ZINC000540176801 870667372 /nfs/dbraw/zinc/66/73/72/870667372.db2.gz YKBYUYLITZMFKK-HNNXBMFYSA-N 1 0 389.546 3.514 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000752306452 870719927 /nfs/dbraw/zinc/71/99/27/870719927.db2.gz FTKANEMQJWBNDK-LJQANCHMSA-N 1 0 395.463 3.551 20 30 GHEDRO CC[N@H+](CCCC(=O)N[C@@H](C#N)c1ccccc1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183046462 912214976 /nfs/dbraw/zinc/21/49/76/912214976.db2.gz SBXBCQAAWFSCHM-AVRDEDQJSA-N 1 0 379.504 3.806 20 30 GHEDRO CSc1nc(-c2ccc(C)cc2)c(C#N)c(N(CC[NH3+])c2cccnc2)n1 ZINC001168830886 870887152 /nfs/dbraw/zinc/88/71/52/870887152.db2.gz BIONJHNLPDENDR-UHFFFAOYSA-N 1 0 376.489 3.537 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000461770101 870911743 /nfs/dbraw/zinc/91/17/43/870911743.db2.gz VGGOFUKLIFDRCH-HTAPYJJXSA-N 1 0 377.488 3.624 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000540296444 870935009 /nfs/dbraw/zinc/93/50/09/870935009.db2.gz VKVZOSDPLUOKFV-UHFFFAOYSA-N 1 0 395.347 3.668 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)cc1 ZINC000775582823 870976914 /nfs/dbraw/zinc/97/69/14/870976914.db2.gz WIDQPAKDFAFUSC-QGZVFWFLSA-N 1 0 387.911 3.900 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000540309817 870985050 /nfs/dbraw/zinc/98/50/50/870985050.db2.gz XDKQSJYWHHETIM-LJQANCHMSA-N 1 0 376.504 3.755 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000540350898 871042603 /nfs/dbraw/zinc/04/26/03/871042603.db2.gz FEWRQPMWQPGYLL-GOSISDBHSA-N 1 0 376.460 3.785 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429700677 871051329 /nfs/dbraw/zinc/05/13/29/871051329.db2.gz SXYUZTCXGZITBC-XMMPIXPASA-N 1 0 375.516 3.837 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000766570377 871111392 /nfs/dbraw/zinc/11/13/92/871111392.db2.gz GDUMVTRZFDAJMB-OALUTQOASA-N 1 0 394.515 3.893 20 30 GHEDRO CN(C)C=[NH+]c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1C#N ZINC001169048413 871130707 /nfs/dbraw/zinc/13/07/07/871130707.db2.gz ZLVXXBJFFKFZPQ-FOKLQQMPSA-N 1 0 378.819 3.721 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181526094 871143537 /nfs/dbraw/zinc/14/35/37/871143537.db2.gz CPUCYGUDWFHCOV-IRXDYDNUSA-N 1 0 393.487 3.658 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CCC2CC2)cc1 ZINC000441221994 871168009 /nfs/dbraw/zinc/16/80/09/871168009.db2.gz HSEWTHBXKJJUSU-UHFFFAOYSA-N 1 0 380.492 3.645 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000539052918 871182388 /nfs/dbraw/zinc/18/23/88/871182388.db2.gz AKFLUPRRMYDCFX-VKKYLHOTSA-N 1 0 389.543 3.616 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC000539065783 871239681 /nfs/dbraw/zinc/23/96/81/871239681.db2.gz KREASVWTMFYKBK-UHFFFAOYSA-N 1 0 380.513 3.510 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000540428688 871264492 /nfs/dbraw/zinc/26/44/92/871264492.db2.gz TZYRWSRACQMEQU-UHFFFAOYSA-N 1 0 393.535 3.622 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(-n2cnnn2)cc1 ZINC000539081931 871274594 /nfs/dbraw/zinc/27/45/94/871274594.db2.gz ANIAAAXFHWDKJR-YQHFOJDRSA-N 1 0 388.475 3.575 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1-n1ncc2c1cccc2C[NH3+] ZINC001169191239 871286776 /nfs/dbraw/zinc/28/67/76/871286776.db2.gz AEJNEKUKPIGYQZ-UHFFFAOYSA-N 1 0 378.233 3.667 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1=O ZINC001169297129 871392120 /nfs/dbraw/zinc/39/21/20/871392120.db2.gz BLXNGOYCWGWCCV-SLXFGWRHSA-N 1 0 396.531 3.655 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1nc2ccccc2n1C ZINC000539200889 871489051 /nfs/dbraw/zinc/48/90/51/871489051.db2.gz FIJLNDAEYSZTGM-WBVHZDCISA-N 1 0 377.467 3.904 20 30 GHEDRO COc1cccc(O[C@@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181827983 871524508 /nfs/dbraw/zinc/52/45/08/871524508.db2.gz HOKDOYYMVIRTHF-SFHVURJKSA-N 1 0 379.504 3.588 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000539266873 871589351 /nfs/dbraw/zinc/58/93/51/871589351.db2.gz FBPDZXWVPHUPLB-HUUCEWRRSA-N 1 0 397.500 3.956 20 30 GHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001194270594 871604526 /nfs/dbraw/zinc/60/45/26/871604526.db2.gz ZQTTZJVNIXWVOZ-FQEVSTJZSA-N 1 0 382.508 3.763 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103319548 871685386 /nfs/dbraw/zinc/68/53/86/871685386.db2.gz QBIJHZMJUXGUTQ-JOCHJYFZSA-N 1 0 393.506 3.535 20 30 GHEDRO C#CC[N@@H+](CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C1CC1 ZINC001194435835 871716777 /nfs/dbraw/zinc/71/67/77/871716777.db2.gz PCMYLUGEBBUWNR-JOCHJYFZSA-N 1 0 382.529 3.502 20 30 GHEDRO C=CCOc1cccnc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539357422 871753099 /nfs/dbraw/zinc/75/30/99/871753099.db2.gz ZPKIHGRVLVKWRY-AZUAARDMSA-N 1 0 379.504 3.772 20 30 GHEDRO N#Cc1cccc(OCCCN2CCOc3ccc(Br)cc3C2)c1 ZINC001169704979 871788778 /nfs/dbraw/zinc/78/87/78/871788778.db2.gz QYGLWVUWYHGBPL-UHFFFAOYSA-N 1 0 387.277 3.984 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(OC(F)F)c1 ZINC000463441294 871804098 /nfs/dbraw/zinc/80/40/98/871804098.db2.gz IABDPBNGEMYQAU-JOCHJYFZSA-N 1 0 386.442 3.977 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000525992867 871829916 /nfs/dbraw/zinc/82/99/16/871829916.db2.gz RXLMHQXKSUPLIL-UHFFFAOYSA-N 1 0 391.450 3.758 20 30 GHEDRO CSc1nc(NCC23CC[NH+](CC2)CC3)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001169792944 871889705 /nfs/dbraw/zinc/88/97/05/871889705.db2.gz GLGYVMFWZOCLRC-UHFFFAOYSA-N 1 0 379.533 3.943 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)cc1)C(=S)NC[C@H]1CCCO1 ZINC000022691171 871910073 /nfs/dbraw/zinc/91/00/73/871910073.db2.gz QAJFLOINRUFLJX-LJQANCHMSA-O 1 0 383.537 3.552 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000540707419 871946695 /nfs/dbraw/zinc/94/66/95/871946695.db2.gz AFDBOJFUINCCDL-QRWLVFNGSA-N 1 0 383.467 3.966 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000127448516 882563101 /nfs/dbraw/zinc/56/31/01/882563101.db2.gz PYITZSZUXGYBOI-OAQYLSRUSA-N 1 0 382.891 3.935 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618797152 872003782 /nfs/dbraw/zinc/00/37/82/872003782.db2.gz DBUGSXQYZMSRBC-FCHUYYIVSA-N 1 0 376.504 3.928 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618807834 872014177 /nfs/dbraw/zinc/01/41/77/872014177.db2.gz XOXUADDRWMVMGA-KUHUBIRLSA-N 1 0 379.460 3.570 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+]2CCCC2)o1 ZINC000618810842 872017614 /nfs/dbraw/zinc/01/76/14/872017614.db2.gz KDAVEAOSLPQYIN-UXHICEINSA-N 1 0 378.476 3.583 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000477868244 872046211 /nfs/dbraw/zinc/04/62/11/872046211.db2.gz WNOJKAIIITXRNL-QGZVFWFLSA-N 1 0 395.450 3.721 20 30 GHEDRO C[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618842257 872054310 /nfs/dbraw/zinc/05/43/10/872054310.db2.gz KKHBDHASYLUIPN-JPYJTQIMSA-N 1 0 388.515 3.852 20 30 GHEDRO O=C(c1ccc2c(c1)CCCC2)C(C(=S)NCC(F)(F)F)[n+]1ccccc1 ZINC000101534961 872071007 /nfs/dbraw/zinc/07/10/07/872071007.db2.gz KIZZQMXNEHBZPA-UHFFFAOYSA-O 1 0 393.454 3.944 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)[C@H](C(F)(F)F)C1 ZINC000552133971 872071944 /nfs/dbraw/zinc/07/19/44/872071944.db2.gz YSZYJSOTSORRBA-HUUCEWRRSA-N 1 0 394.441 3.980 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670222043 872157058 /nfs/dbraw/zinc/15/70/58/872157058.db2.gz WUJVKLBGGMOGJA-OAHLLOKOSA-N 1 0 389.931 3.714 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC3(CC2)OCc2ccccc23)c(-c2ccncc2)n1 ZINC000619071398 872279726 /nfs/dbraw/zinc/27/97/26/872279726.db2.gz XFHAVXBCNZNKBY-UHFFFAOYSA-N 1 0 399.498 3.880 20 30 GHEDRO Cc1c(Br)cc(O[C@H](CC#N)C[N+](C)(C)C)cc1Br ZINC001233602485 872374017 /nfs/dbraw/zinc/37/40/17/872374017.db2.gz VTCDZOUSGFDKDA-LLVKDONJSA-N 1 0 391.127 3.887 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccccc1 ZINC000022796680 872388710 /nfs/dbraw/zinc/38/87/10/872388710.db2.gz DJPDFUKHUWZDRM-UHFFFAOYSA-O 1 0 390.326 3.841 20 30 GHEDRO C=CCc1cc(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)cc(OC)c1O ZINC000093770964 872410165 /nfs/dbraw/zinc/41/01/65/872410165.db2.gz BUQNVFJPKCKBEA-OAHLLOKOSA-N 1 0 386.458 3.835 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1Cl ZINC001195478034 872429840 /nfs/dbraw/zinc/42/98/40/872429840.db2.gz UJAQIMXODSDKTD-SFTDATJTSA-N 1 0 397.906 3.608 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000540927695 872480344 /nfs/dbraw/zinc/48/03/44/872480344.db2.gz LRMJEHJSCQFPED-HXUWFJFHSA-N 1 0 383.879 3.787 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C)C2)cc(OC)c1OC ZINC000763540961 872492897 /nfs/dbraw/zinc/49/28/97/872492897.db2.gz XQRBSWFBOLTUOI-LZQZEXGQSA-N 1 0 375.509 3.890 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000670227615 872603489 /nfs/dbraw/zinc/60/34/89/872603489.db2.gz ZAIMWROSQXDYQQ-QGZVFWFLSA-N 1 0 399.514 3.665 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1Cl ZINC000619569467 872747579 /nfs/dbraw/zinc/74/75/79/872747579.db2.gz KWBSCMZYXKFDDD-QXAKKESOSA-N 1 0 375.900 3.556 20 30 GHEDRO N#CCC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000541038040 872780124 /nfs/dbraw/zinc/78/01/24/872780124.db2.gz OXRCHCGSVWUXBD-SFHVURJKSA-N 1 0 394.441 3.615 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2cccnc2)c1C#N ZINC000182886719 872913008 /nfs/dbraw/zinc/91/30/08/872913008.db2.gz SJUGWGHECYIKIM-HNNXBMFYSA-N 1 0 391.450 3.789 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000527297848 872972605 /nfs/dbraw/zinc/97/26/05/872972605.db2.gz UDFPSOUAKLMSLK-QZTJIDSGSA-N 1 0 393.535 3.748 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000619770645 873008023 /nfs/dbraw/zinc/00/80/23/873008023.db2.gz JXPXKZUMOZZPSJ-HNAYVOBHSA-N 1 0 382.895 3.674 20 30 GHEDRO COc1cc2c(cc1C[NH2+]C1CCC(Oc3ncccc3C#N)CC1)O[C@H](C)C2 ZINC000527327235 873015831 /nfs/dbraw/zinc/01/58/31/873015831.db2.gz RRYICQBZIQSSEW-APMMTJHUSA-N 1 0 393.487 3.765 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527350002 873026898 /nfs/dbraw/zinc/02/68/98/873026898.db2.gz HILPYQIXOWPLPG-AULURCSPSA-N 1 0 390.531 3.753 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000619822896 873056355 /nfs/dbraw/zinc/05/63/55/873056355.db2.gz AODAGRCBMVJVHJ-PMACEKPBSA-N 1 0 382.895 3.801 20 30 GHEDRO CCOc1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)c2cccc(Cl)c2)cc1 ZINC000527367740 873062427 /nfs/dbraw/zinc/06/24/27/873062427.db2.gz VFUPOIMENIPQRR-OAQYLSRUSA-N 1 0 397.906 3.980 20 30 GHEDRO CCN1CC[C@@H]([NH2+]CCOc2ccccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000619809722 873062735 /nfs/dbraw/zinc/06/27/35/873062735.db2.gz CZEPFELCYJVRPQ-WIYYLYMNSA-N 1 0 389.421 3.779 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000541443384 873587791 /nfs/dbraw/zinc/58/77/91/873587791.db2.gz UPPQHFYUSNFJJF-HDICACEKSA-N 1 0 382.552 3.989 20 30 GHEDRO N#Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1Br ZINC000448599628 873651470 /nfs/dbraw/zinc/65/14/70/873651470.db2.gz XEXTVIQJDFUZAK-UHFFFAOYSA-N 1 0 398.304 3.847 20 30 GHEDRO Cc1cnc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1Cl ZINC001197297942 873691405 /nfs/dbraw/zinc/69/14/05/873691405.db2.gz GWYRUBXUCWSEBK-IYARVYRRSA-N 1 0 382.895 3.827 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4cc(F)c(Cl)cc43)C2=O)cc1 ZINC000527893669 873725169 /nfs/dbraw/zinc/72/51/69/873725169.db2.gz OGXJOIUNYBBKFW-UXHICEINSA-N 1 0 383.854 3.729 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1OC ZINC000768997289 873762593 /nfs/dbraw/zinc/76/25/93/873762593.db2.gz CJAKFCODMPCZFP-UHFFFAOYSA-N 1 0 382.504 3.981 20 30 GHEDRO C/C=C\COc1cccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000448724964 873820676 /nfs/dbraw/zinc/82/06/76/873820676.db2.gz JAGUIVXCPBNGIZ-PLNGDYQASA-N 1 0 391.515 3.646 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000448706914 873828456 /nfs/dbraw/zinc/82/84/56/873828456.db2.gz BCVCLXTZLRPVBH-AWEZNQCLSA-N 1 0 378.314 3.563 20 30 GHEDRO CCOc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(O)c1 ZINC000769196283 873878595 /nfs/dbraw/zinc/87/85/95/873878595.db2.gz UTQVKEOPQADPQR-UHFFFAOYSA-N 1 0 388.471 3.533 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=S)NCc3ccc(Cl)cc3)CC2)cc1 ZINC001197589437 873928553 /nfs/dbraw/zinc/92/85/53/873928553.db2.gz BJWRTPNULDIWHW-UHFFFAOYSA-N 1 0 398.963 3.840 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448776690 873952605 /nfs/dbraw/zinc/95/26/05/873952605.db2.gz YGXBGNAGJDXBKX-OKILXGFUSA-N 1 0 392.341 3.807 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000769332308 873973517 /nfs/dbraw/zinc/97/35/17/873973517.db2.gz KETLBVBJDYXFST-MRXNPFEDSA-N 1 0 390.524 3.818 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1 ZINC000769409231 874029608 /nfs/dbraw/zinc/02/96/08/874029608.db2.gz BEDAVAIIRDSRCE-KRWDZBQOSA-N 1 0 379.508 3.515 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000464574790 874099783 /nfs/dbraw/zinc/09/97/83/874099783.db2.gz DKRYMUBANIMDSQ-GOSISDBHSA-N 1 0 378.476 3.549 20 30 GHEDRO CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC001198006808 874158340 /nfs/dbraw/zinc/15/83/40/874158340.db2.gz FTBWSNPJBPXGHL-UHFFFAOYSA-N 1 0 395.551 3.751 20 30 GHEDRO CN(C)c1cc[nH+]c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 ZINC001198016935 874164750 /nfs/dbraw/zinc/16/47/50/874164750.db2.gz OLWYURZPVSJIPU-UHFFFAOYSA-N 1 0 388.431 3.528 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000448919794 874208903 /nfs/dbraw/zinc/20/89/03/874208903.db2.gz CWTLEPUTCLQNME-UHFFFAOYSA-N 1 0 388.309 3.768 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000609135448 874218932 /nfs/dbraw/zinc/21/89/32/874218932.db2.gz KQIQZZRRURHEHQ-OAQYLSRUSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001198140432 874229075 /nfs/dbraw/zinc/22/90/75/874229075.db2.gz HQGJHBQORTXYJT-SFHVURJKSA-N 1 0 399.535 3.591 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528274706 874295472 /nfs/dbraw/zinc/29/54/72/874295472.db2.gz BRCZOQRUUDPTHO-BAGYTPMASA-N 1 0 393.918 3.688 20 30 GHEDRO COc1c(C)ccc(F)c1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001198278743 874320392 /nfs/dbraw/zinc/32/03/92/874320392.db2.gz LWUNZBQSMVBHIB-WGSAOQKQSA-N 1 0 395.478 3.927 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775834526 874340857 /nfs/dbraw/zinc/34/08/57/874340857.db2.gz UQSCCAYTUUNYIW-LJQANCHMSA-N 1 0 378.520 3.967 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000464775886 874469833 /nfs/dbraw/zinc/46/98/33/874469833.db2.gz MIJIXNHKVGEWEG-IBGZPJMESA-N 1 0 399.583 3.694 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000464780214 874477965 /nfs/dbraw/zinc/47/79/65/874477965.db2.gz ZBCMILIYERFQRE-RXVVDRJESA-N 1 0 377.513 3.778 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001198551130 874497576 /nfs/dbraw/zinc/49/75/76/874497576.db2.gz BULOLURXMOVNAS-QYZOEREBSA-N 1 0 387.499 3.599 20 30 GHEDRO C#C[C@@H](NC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccc(Cl)cc1F ZINC000804424012 882835342 /nfs/dbraw/zinc/83/53/42/882835342.db2.gz DIUKKDCHLRHMMU-LJQANCHMSA-N 1 0 385.870 3.890 20 30 GHEDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000770195479 874515484 /nfs/dbraw/zinc/51/54/84/874515484.db2.gz MBNIOGTWDUXFSS-UHFFFAOYSA-N 1 0 382.460 3.577 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000449150580 874538718 /nfs/dbraw/zinc/53/87/18/874538718.db2.gz RRWBRRQXSJCAOT-GBXVCHKXSA-N 1 0 377.435 3.845 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2C[C@@H](C)[C@H](C)C2)c1C#N ZINC000464836335 874574598 /nfs/dbraw/zinc/57/45/98/874574598.db2.gz KHUDHQVYESPUIO-HUUCEWRRSA-N 1 0 382.483 3.690 20 30 GHEDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000770383951 874624740 /nfs/dbraw/zinc/62/47/40/874624740.db2.gz DLRVBGNIFAGKIX-HKUYNNGSSA-N 1 0 386.540 3.772 20 30 GHEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000449270152 874656543 /nfs/dbraw/zinc/65/65/43/874656543.db2.gz PSGAKWVIOCSJRK-VNCLNFNDSA-N 1 0 380.448 3.772 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(Cl)c(F)c3)CCOCC2)c1 ZINC000528551502 874720250 /nfs/dbraw/zinc/72/02/50/874720250.db2.gz ICNPFHCFYMUZNU-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001198956832 874727518 /nfs/dbraw/zinc/72/75/18/874727518.db2.gz GJKKFGDCOINODY-QGZVFWFLSA-N 1 0 380.492 3.989 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000783654066 874744411 /nfs/dbraw/zinc/74/44/11/874744411.db2.gz KSKUIOHGSSCGCO-UHFFFAOYSA-N 1 0 399.922 3.590 20 30 GHEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000449447344 874869139 /nfs/dbraw/zinc/86/91/39/874869139.db2.gz YVGQGMFAGHKGNI-UWVGGRQHSA-N 1 0 376.188 3.741 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1C#N ZINC000528758537 875021455 /nfs/dbraw/zinc/02/14/55/875021455.db2.gz QEKJWTOICKFZKP-MEOSDYHSSA-N 1 0 386.540 3.822 20 30 GHEDRO CCC(CC)[C@@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC000761654779 882887204 /nfs/dbraw/zinc/88/72/04/882887204.db2.gz XCAVBWQYTXQLPJ-YADHBBJMSA-N 1 0 398.551 3.542 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(C#N)cc1 ZINC000542151744 875043852 /nfs/dbraw/zinc/04/38/52/875043852.db2.gz NMZZBJIGVMDYRX-JKSUJKDBSA-N 1 0 390.487 3.975 20 30 GHEDRO C[C@@H](CCOc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000465120113 875154115 /nfs/dbraw/zinc/15/41/15/875154115.db2.gz KAYUUUYYLCCABI-IBGZPJMESA-N 1 0 379.504 3.554 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1O ZINC000449647978 875170723 /nfs/dbraw/zinc/17/07/23/875170723.db2.gz RESBAAVUMYRLJE-HOTGVXAUSA-N 1 0 380.488 3.585 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000771512847 875306300 /nfs/dbraw/zinc/30/63/00/875306300.db2.gz GDAZBKNKVYILMA-WTKPLQERSA-N 1 0 385.851 3.896 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3cnn(Cc4ccccc4)c3)cc2)CC1 ZINC000771523617 875312316 /nfs/dbraw/zinc/31/23/16/875312316.db2.gz CEWAZBXMGAWULX-XFXZXTDPSA-N 1 0 386.499 3.579 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000776089183 875324210 /nfs/dbraw/zinc/32/42/10/875324210.db2.gz SBJCSHOHWMDRCD-FQEVSTJZSA-N 1 0 393.487 3.666 20 30 GHEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000542322130 875383525 /nfs/dbraw/zinc/38/35/25/875383525.db2.gz GECDPTSIBBUFPM-UPVQGACJSA-N 1 0 376.500 3.978 20 30 GHEDRO CC(C)C[N@H+](C)CCCNC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001201030885 875477085 /nfs/dbraw/zinc/47/70/85/875477085.db2.gz MQRRQYPNHCDDKM-UHFFFAOYSA-N 1 0 381.480 3.845 20 30 GHEDRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC001201226234 875563922 /nfs/dbraw/zinc/56/39/22/875563922.db2.gz IMJRBLGJHQGLCZ-OAHLLOKOSA-N 1 0 382.439 3.953 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000449884732 875572683 /nfs/dbraw/zinc/57/26/83/875572683.db2.gz FVFAQNAITGNCNN-YSHGAJCASA-N 1 0 396.453 3.796 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001201297485 875617175 /nfs/dbraw/zinc/61/71/75/875617175.db2.gz HMEXZVDSOGPRHN-IEBWSBKVSA-N 1 0 395.478 3.727 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H](SC)C2)cc1 ZINC000134611617 882956205 /nfs/dbraw/zinc/95/62/05/882956205.db2.gz JBQFMGOLIMWWKF-LJQANCHMSA-N 1 0 375.538 3.549 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC000106034344 875710931 /nfs/dbraw/zinc/71/09/31/875710931.db2.gz DJTKQWSBTACUJM-UHFFFAOYSA-N 1 0 376.504 3.736 20 30 GHEDRO CCN(C(=O)Nc1ccc(COC)c(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529212555 875839274 /nfs/dbraw/zinc/83/92/74/875839274.db2.gz MJAKZRUUXOOWGA-JOCHJYFZSA-N 1 0 392.503 3.833 20 30 GHEDRO CCCCCCCC[N@@H+]1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001201813936 875872652 /nfs/dbraw/zinc/87/26/52/875872652.db2.gz LEDIPJJFZAMBRH-NRFANRHFSA-N 1 0 395.613 3.715 20 30 GHEDRO Cc1noc(-c2ccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC001201900366 875915959 /nfs/dbraw/zinc/91/59/59/875915959.db2.gz DSZULIWTENQOSB-UHFFFAOYSA-N 1 0 387.487 3.671 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCOC[C@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001201874958 875918851 /nfs/dbraw/zinc/91/88/51/875918851.db2.gz MMOYUKVWTSQGBR-JOCHJYFZSA-N 1 0 382.589 3.713 20 30 GHEDRO CCCCCCCCCC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001201875316 875920206 /nfs/dbraw/zinc/92/02/06/875920206.db2.gz VHEZMKCUJGBUKD-VSKRKVRLSA-N 1 0 394.600 3.570 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)CC1 ZINC000176388012 875968411 /nfs/dbraw/zinc/96/84/11/875968411.db2.gz HRORJCABSKXSHX-NRFANRHFSA-N 1 0 399.560 3.644 20 30 GHEDRO N#C[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC12CCCC2 ZINC000450196461 876060533 /nfs/dbraw/zinc/06/05/33/876060533.db2.gz BOMOLUCPAIVDDV-IMSXRSKXSA-N 1 0 377.532 3.974 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 ZINC000858272005 882993384 /nfs/dbraw/zinc/99/33/84/882993384.db2.gz AOVLQZOWYUPGOD-UGSOOPFHSA-N 1 0 387.842 3.665 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1ccccc1C#N ZINC000030511008 876135693 /nfs/dbraw/zinc/13/56/93/876135693.db2.gz NMPVFEXQGSKKON-KRWDZBQOSA-N 1 0 389.455 3.985 20 30 GHEDRO COc1ccc([C@@H](CNc2nc3ccccc3cc2C#N)[NH+](C)C)cc1OC ZINC000785718411 876224452 /nfs/dbraw/zinc/22/44/52/876224452.db2.gz KFIULUPNPXZABN-LJQANCHMSA-N 1 0 376.460 3.838 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@@H]2C[NH+]2CCCCC2)nc1-c1cccnc1 ZINC000151966090 876315395 /nfs/dbraw/zinc/31/53/95/876315395.db2.gz UORZZJWQAIEVGM-LJQANCHMSA-N 1 0 398.580 3.570 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000609334746 883029950 /nfs/dbraw/zinc/02/99/50/883029950.db2.gz FFVKZDQQESHXSS-UHFFFAOYSA-N 1 0 385.515 3.676 20 30 GHEDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000850004990 876590515 /nfs/dbraw/zinc/59/05/15/876590515.db2.gz SIXJEGZYDQRNCS-QFIPXVFZSA-N 1 0 375.516 3.811 20 30 GHEDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000450739772 876839337 /nfs/dbraw/zinc/83/93/37/876839337.db2.gz SFMBORVFJORINI-UHFFFAOYSA-N 1 0 390.325 3.729 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000850366427 876853675 /nfs/dbraw/zinc/85/36/75/876853675.db2.gz ARMHFIXTVAYXHA-QZTJIDSGSA-N 1 0 398.532 3.898 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)cc1 ZINC000850402983 876882856 /nfs/dbraw/zinc/88/28/56/876882856.db2.gz AEMBYTKPCULFTO-UHFFFAOYSA-N 1 0 384.524 3.526 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786856636 876985390 /nfs/dbraw/zinc/98/53/90/876985390.db2.gz UJQOTSIUAGPBRN-JXFKEZNVSA-N 1 0 378.476 3.748 20 30 GHEDRO CC(=O)Nc1ccc(C(C)=NOC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000786892817 877011680 /nfs/dbraw/zinc/01/16/80/877011680.db2.gz BLHVRRLFCRWFSV-HSZRJFAPSA-N 1 0 395.503 3.677 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](c3ccncc3)C2)c1C ZINC000450998749 877207376 /nfs/dbraw/zinc/20/73/76/877207376.db2.gz MACKCAVVTJFVAN-OAQYLSRUSA-N 1 0 376.504 3.825 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CC1 ZINC000109583753 877222995 /nfs/dbraw/zinc/22/29/95/877222995.db2.gz BPJAJYMPTJSAOR-UHFFFAOYSA-N 1 0 378.407 3.876 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000610002387 877275190 /nfs/dbraw/zinc/27/51/90/877275190.db2.gz FUMDRTYCSAVVQV-HSZRJFAPSA-N 1 0 375.516 3.912 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1ccc(C#N)cc1C#N)[C@H](C)Cc1ccc(O)cc1 ZINC001183050226 912220328 /nfs/dbraw/zinc/22/03/28/912220328.db2.gz KGGUJRPTBNPNSP-QGZVFWFLSA-N 1 0 390.487 3.807 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000610133975 877450059 /nfs/dbraw/zinc/45/00/59/877450059.db2.gz CAFHTXBXQJPORO-SFHVURJKSA-N 1 0 397.544 3.720 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC1 ZINC000787989991 877762042 /nfs/dbraw/zinc/76/20/42/877762042.db2.gz QPDPLQYVZHSAOL-UHFFFAOYSA-N 1 0 389.215 3.752 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000237699518 877845925 /nfs/dbraw/zinc/84/59/25/877845925.db2.gz YTHDONSJOJGYLH-WMLDXEAASA-N 1 0 394.393 3.526 20 30 GHEDRO N#C[C@@]1(F)CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000615590773 877905284 /nfs/dbraw/zinc/90/52/84/877905284.db2.gz DFITVQIDSFQWEJ-QHCPKHFHSA-N 1 0 394.494 3.726 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc(CC#N)c2)[NH+](C)C)cc1 ZINC000455904241 877983027 /nfs/dbraw/zinc/98/30/27/877983027.db2.gz KECVIYIKMFZBQT-OAQYLSRUSA-N 1 0 380.492 3.964 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000493011471 877984991 /nfs/dbraw/zinc/98/49/91/877984991.db2.gz UISUHCNYFYCAPB-VQTJNVASSA-N 1 0 391.471 3.566 20 30 GHEDRO CCc1nnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C#N)c1CC ZINC000530537983 877990162 /nfs/dbraw/zinc/99/01/62/877990162.db2.gz UKSKFQZUHSVRRN-UHFFFAOYSA-N 1 0 381.446 3.690 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1oc(C)nc1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC001183147882 912306641 /nfs/dbraw/zinc/30/66/41/912306641.db2.gz FHQQXYIZKHQGHH-OAHLLOKOSA-N 1 0 384.480 3.535 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000852106793 878078010 /nfs/dbraw/zinc/07/80/10/878078010.db2.gz JDJIQUVNZMQKKZ-AZUAARDMSA-N 1 0 384.524 3.574 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000451541466 878107022 /nfs/dbraw/zinc/10/70/22/878107022.db2.gz YYNHZLNADSJTDQ-OELPEZKESA-N 1 0 388.939 3.961 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788646935 878206387 /nfs/dbraw/zinc/20/63/87/878206387.db2.gz FMMVYWIWHSAKDD-OAHLLOKOSA-N 1 0 375.538 3.636 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CC1 ZINC000068280168 878233007 /nfs/dbraw/zinc/23/30/07/878233007.db2.gz OKVFCVXFJWJWIW-UHFFFAOYSA-N 1 0 383.879 3.598 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H](Nc3cccc(CC[NH+]4CCCC4)c3)C2=O)cc1 ZINC000180005112 878323137 /nfs/dbraw/zinc/32/31/37/878323137.db2.gz OZSFNQHYMBOWIS-HSZRJFAPSA-N 1 0 388.515 3.804 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1F ZINC000852472997 878349373 /nfs/dbraw/zinc/34/93/73/878349373.db2.gz IEFSNOQLGRPHQJ-WBVHZDCISA-N 1 0 397.416 3.853 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852472646 878349559 /nfs/dbraw/zinc/34/95/59/878349559.db2.gz FUIDEDUHZGZNLC-RBUKOAKNSA-N 1 0 393.453 3.908 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1F ZINC000852472991 878350468 /nfs/dbraw/zinc/35/04/68/878350468.db2.gz IEFSNOQLGRPHQJ-DOTOQJQBSA-N 1 0 397.416 3.853 20 30 GHEDRO C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000451713512 878383822 /nfs/dbraw/zinc/38/38/22/878383822.db2.gz UIAQNYYZDZICGG-GOSISDBHSA-N 1 0 387.487 3.562 20 30 GHEDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000746771614 878419204 /nfs/dbraw/zinc/41/92/04/878419204.db2.gz FFDBNQOWZSVFBF-UZLBHIALSA-N 1 0 398.532 3.511 20 30 GHEDRO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000537852157 878430822 /nfs/dbraw/zinc/43/08/22/878430822.db2.gz VXBFJRFRPONOTO-DVECYGJZSA-N 1 0 375.516 3.827 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000180068065 878459550 /nfs/dbraw/zinc/45/95/50/878459550.db2.gz LXFXBVPFLVKGNK-RTWAWAEBSA-N 1 0 376.460 3.666 20 30 GHEDRO N#CC1(CS(=O)(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCCCC1 ZINC000616081344 878487038 /nfs/dbraw/zinc/48/70/38/878487038.db2.gz ZVNSOTIBMCRPTK-FQEVSTJZSA-N 1 0 389.565 3.607 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000451819365 878528911 /nfs/dbraw/zinc/52/89/11/878528911.db2.gz AGAZZGQLQAGPPN-INIZCTEOSA-N 1 0 388.581 3.633 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731296 878559657 /nfs/dbraw/zinc/55/96/57/878559657.db2.gz WOTPDCWEXQQEHF-HKBOAZHASA-N 1 0 397.906 3.665 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)NCCCN1c2ccccc2Sc2ccccc21 ZINC000852816593 878618153 /nfs/dbraw/zinc/61/81/53/878618153.db2.gz ZUEOINNKDUYYBM-UHFFFAOYSA-N 1 0 391.540 3.799 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000852898863 878652212 /nfs/dbraw/zinc/65/22/12/878652212.db2.gz QKBUGEIHKWSCSS-XOYLTFLUSA-N 1 0 384.520 3.511 20 30 GHEDRO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472240 878673218 /nfs/dbraw/zinc/67/32/18/878673218.db2.gz ZLPKBZNYYIJAHW-JOCHJYFZSA-N 1 0 393.531 3.919 20 30 GHEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@@]2(CCSC2)C1)c1cccc(Cl)c1 ZINC000451965806 878743959 /nfs/dbraw/zinc/74/39/59/878743959.db2.gz NGBPZNBUUUQIDP-LJQANCHMSA-N 1 0 377.941 3.806 20 30 GHEDRO N#CCC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000245944169 878785026 /nfs/dbraw/zinc/78/50/26/878785026.db2.gz NJYRWISCQAZZOO-FGZHOGPDSA-N 1 0 376.504 3.995 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000530965607 878817723 /nfs/dbraw/zinc/81/77/23/878817723.db2.gz TYTWQTPLEKKVHQ-YADHBBJMSA-N 1 0 380.536 3.875 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460928292 878833395 /nfs/dbraw/zinc/83/33/95/878833395.db2.gz ALZATHYFOMIRCJ-QFBILLFUSA-N 1 0 398.511 3.596 20 30 GHEDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000789355760 878843499 /nfs/dbraw/zinc/84/34/99/878843499.db2.gz BTWRAYWWSDVILL-CQSZACIVSA-N 1 0 398.488 3.598 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460934024 878852082 /nfs/dbraw/zinc/85/20/82/878852082.db2.gz YPMYCPJTUQWCIT-UHFFFAOYSA-N 1 0 382.556 3.942 20 30 GHEDRO C[NH+](C)C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cc(F)c(F)c(F)c1 ZINC000853213380 878896045 /nfs/dbraw/zinc/89/60/45/878896045.db2.gz IRHAHVOSAIRCJK-FRQCXROJSA-N 1 0 388.389 3.925 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248772370 912401519 /nfs/dbraw/zinc/40/15/19/912401519.db2.gz HJZOCEKPIPYXFK-SQGPQFPESA-N 1 0 378.476 3.619 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(c3cc(Br)cnc3C#N)C2)CC1 ZINC000853243544 878928634 /nfs/dbraw/zinc/92/86/34/878928634.db2.gz LUEJHGTTWGYRIH-HNNXBMFYSA-N 1 0 377.330 3.664 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)c2cccc(C#N)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000452128461 878980023 /nfs/dbraw/zinc/98/00/23/878980023.db2.gz ULFOQNMUPRUSSR-RDTXWAMCSA-N 1 0 398.304 3.714 20 30 GHEDRO CC[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[NH+](CC)CC ZINC000531047521 879011641 /nfs/dbraw/zinc/01/16/41/879011641.db2.gz UWGVODLOASBLHO-OAHLLOKOSA-N 1 0 389.550 3.761 20 30 GHEDRO COc1cc2cc[nH+]c(N3CCO[C@H](c4cccc(C#N)c4)C3)c2cc1OC ZINC000853460239 879036246 /nfs/dbraw/zinc/03/62/46/879036246.db2.gz HNQXJJRQBBCXJS-NRFANRHFSA-N 1 0 375.428 3.702 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000789481131 879038606 /nfs/dbraw/zinc/03/86/06/879038606.db2.gz PCBFWEFHDXPZMZ-DOTOQJQBSA-N 1 0 376.291 3.598 20 30 GHEDRO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H](O)c1ccc(C)cc1 ZINC000789733363 879203959 /nfs/dbraw/zinc/20/39/59/879203959.db2.gz KPBTXWBHWFPMHP-QFIPXVFZSA-N 1 0 389.503 3.723 20 30 GHEDRO CCC[NH+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000531146749 879235214 /nfs/dbraw/zinc/23/52/14/879235214.db2.gz RVSYQPGKZPCXSX-UHFFFAOYSA-N 1 0 396.466 3.836 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000795694691 912433489 /nfs/dbraw/zinc/43/34/89/912433489.db2.gz QFQVCTJSFDWVFZ-DNVJHFABSA-N 1 0 399.498 3.587 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000180717179 879240889 /nfs/dbraw/zinc/24/08/89/879240889.db2.gz LUKGRNHAHHUEGI-SFHVURJKSA-N 1 0 377.916 3.893 20 30 GHEDRO Cn1c(C#N)ccc1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452455072 879470233 /nfs/dbraw/zinc/47/02/33/879470233.db2.gz JFWRRAZUMLSKAI-JOCHJYFZSA-N 1 0 390.531 3.660 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000617214885 879485425 /nfs/dbraw/zinc/48/54/25/879485425.db2.gz LYDCQBMTLPJVIA-AWEZNQCLSA-N 1 0 379.298 3.876 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000493804797 879646374 /nfs/dbraw/zinc/64/63/74/879646374.db2.gz BGODZBLRACMQAO-IBGZPJMESA-N 1 0 375.561 3.672 20 30 GHEDRO C#CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)c1ccccc1 ZINC000790439343 879726673 /nfs/dbraw/zinc/72/66/73/879726673.db2.gz TUJBBTIBMIMTCG-JOCHJYFZSA-N 1 0 379.504 3.533 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)nc1 ZINC000531374790 879726484 /nfs/dbraw/zinc/72/64/84/879726484.db2.gz ZPZSNFWPRKLYOK-UHFFFAOYSA-N 1 0 390.487 3.882 20 30 GHEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531384065 879750150 /nfs/dbraw/zinc/75/01/50/879750150.db2.gz KZZRVLYUYWRRCN-APWZRJJASA-N 1 0 380.467 3.673 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000790494578 879764018 /nfs/dbraw/zinc/76/40/18/879764018.db2.gz AOTNYNBOBZEGAH-JOCHJYFZSA-N 1 0 375.472 3.936 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000790520408 879790880 /nfs/dbraw/zinc/79/08/80/879790880.db2.gz FRAUBBZHBZSKBW-KRWDZBQOSA-N 1 0 378.394 3.849 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790682436 879907810 /nfs/dbraw/zinc/90/78/10/879907810.db2.gz YFRZBHCXMVEJOB-FQEVSTJZSA-N 1 0 386.417 3.790 20 30 GHEDRO C=CC[C@]1(C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CCCN1C(=O)OC(C)(C)C ZINC000790697990 879933637 /nfs/dbraw/zinc/93/36/37/879933637.db2.gz LTHGZOLPENYYCL-XMSQKQJNSA-N 1 0 393.572 3.523 20 30 GHEDRO CCCCCCCc1ccc(-c2noc([C@@H](N)CN3CCC([NH3+])CC3)n2)cc1 ZINC001212315016 880030695 /nfs/dbraw/zinc/03/06/95/880030695.db2.gz PHBONWMWWHOBLO-FQEVSTJZSA-N 1 0 385.556 3.672 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3nccc(C#N)c3Cl)nc3ccc(C)cc3n12 ZINC001170148724 880212471 /nfs/dbraw/zinc/21/24/71/880212471.db2.gz CLSNXYZYPHLXPH-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001183454554 912548681 /nfs/dbraw/zinc/54/86/81/912548681.db2.gz LUIBSKVSJZITPB-SCLBCKFNSA-N 1 0 383.879 3.694 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)ccc1OC ZINC000113211766 880410041 /nfs/dbraw/zinc/41/00/41/880410041.db2.gz UNSIHGFQFMATJO-GHTZIAJQSA-N 1 0 387.524 3.503 20 30 GHEDRO C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(-c2ccccc2)no1 ZINC000123474108 880428333 /nfs/dbraw/zinc/42/83/33/880428333.db2.gz RONVEVVMZHGRBL-QGZVFWFLSA-N 1 0 375.476 3.980 20 30 GHEDRO CCCCN1CC[C@@]2(CCCN2Cc2cc(C#N)ccc2Br)C1=O ZINC001275190950 912569397 /nfs/dbraw/zinc/56/93/97/912569397.db2.gz DSNNZWQTERFWKY-IBGZPJMESA-N 1 0 390.325 3.688 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC ZINC000113348124 880520156 /nfs/dbraw/zinc/52/01/56/880520156.db2.gz FTCPACUVBFWKLN-MRXNPFEDSA-N 1 0 385.420 3.583 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnn(-c3ccccc3)c2)ccc1OC ZINC000113347780 880520478 /nfs/dbraw/zinc/52/04/78/880520478.db2.gz APYISBNVLCMTAC-FQEVSTJZSA-N 1 0 376.460 3.852 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1)C1N=CC=CC1=O ZINC000113361038 880544051 /nfs/dbraw/zinc/54/40/51/880544051.db2.gz HXGUCFCNTPZTBO-HNENSFHCSA-N 1 0 387.892 3.685 20 30 GHEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000377393667 880590836 /nfs/dbraw/zinc/59/08/36/880590836.db2.gz RPTRQHUBQUCZSZ-UHFFFAOYSA-N 1 0 390.325 3.646 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000791714845 880642868 /nfs/dbraw/zinc/64/28/68/880642868.db2.gz PHCJSBURMBREBY-QRWLVFNGSA-N 1 0 376.460 3.672 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000185844174 880708588 /nfs/dbraw/zinc/70/85/88/880708588.db2.gz AVEVOYOQBHLFSG-NBCNXNJRSA-N 1 0 398.528 3.860 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000453365948 880848422 /nfs/dbraw/zinc/84/84/22/880848422.db2.gz LWUUEENZHWQNKA-ZFWWWQNUSA-N 1 0 391.284 3.962 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC1(N2CCN(c3ccccc3)CC2)CCOCC1)C1CC1 ZINC000453378168 880863359 /nfs/dbraw/zinc/86/33/59/880863359.db2.gz YREXAHIDNIUEEK-HSZRJFAPSA-N 1 0 383.580 3.692 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1cc(C#N)ccc1F ZINC000137691823 880882017 /nfs/dbraw/zinc/88/20/17/880882017.db2.gz YXKDUKLIQCVLHP-IRXDYDNUSA-N 1 0 394.494 3.653 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453440387 880902420 /nfs/dbraw/zinc/90/24/20/880902420.db2.gz MPMOYVFQUXFQOP-ZVDOUQERSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c(N2CCC[N@H+](CC3CCCCC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453442333 880905815 /nfs/dbraw/zinc/90/58/15/880905815.db2.gz PFXCYUUMCUJNKU-JOCHJYFZSA-N 1 0 387.572 3.582 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000453424194 880923018 /nfs/dbraw/zinc/92/30/18/880923018.db2.gz HTHZTCFLVUKVSM-SFHVURJKSA-N 1 0 379.552 3.674 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000453425552 880924502 /nfs/dbraw/zinc/92/45/02/880924502.db2.gz NJOHPUQFHIKAIR-KRWDZBQOSA-N 1 0 383.515 3.505 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000249032939 912622903 /nfs/dbraw/zinc/62/29/03/912622903.db2.gz MEEMVBTXRWXGFQ-IRWQIABSSA-N 1 0 381.501 3.555 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000453468086 880977948 /nfs/dbraw/zinc/97/79/48/880977948.db2.gz SJJJSSKQCROVPD-RTWAWAEBSA-N 1 0 395.551 3.807 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000113960728 881015996 /nfs/dbraw/zinc/01/59/96/881015996.db2.gz NMBVMPKEIALMES-LJQANCHMSA-N 1 0 383.467 3.633 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)c1 ZINC000114024332 881056688 /nfs/dbraw/zinc/05/66/88/881056688.db2.gz UULZIPLYECSNAK-NRFANRHFSA-N 1 0 394.519 3.819 20 30 GHEDRO C=CCC[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000187274158 881132105 /nfs/dbraw/zinc/13/21/05/881132105.db2.gz BVUINOXPWSDRLQ-LJQANCHMSA-N 1 0 393.487 3.845 20 30 GHEDRO O=C(NCC#Cc1ccccc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064335732 883136604 /nfs/dbraw/zinc/13/66/04/883136604.db2.gz OYZKKMABPZETJM-NRFANRHFSA-N 1 0 386.417 3.609 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000286290171 912672856 /nfs/dbraw/zinc/67/28/56/912672856.db2.gz WDOSIWJGHSKRQG-IBGZPJMESA-N 1 0 378.495 3.782 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1 ZINC000609460054 883219203 /nfs/dbraw/zinc/21/92/03/883219203.db2.gz YOQATUQSHQSYDN-GCJKJVERSA-N 1 0 390.531 3.773 20 30 GHEDRO C[C@@](C#N)(CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000609523699 883313220 /nfs/dbraw/zinc/31/32/20/883313220.db2.gz FPAWNZIRBRSNLM-DEOSSOPVSA-N 1 0 375.516 3.930 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000173389485 883350103 /nfs/dbraw/zinc/35/01/03/883350103.db2.gz FBVUUFFQBPRIFH-HXUWFJFHSA-N 1 0 395.528 3.613 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)o1 ZINC000609589833 883390243 /nfs/dbraw/zinc/39/02/43/883390243.db2.gz MVZDCXMRLRXNIC-MRXNPFEDSA-N 1 0 390.281 3.879 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000804863915 883404562 /nfs/dbraw/zinc/40/45/62/883404562.db2.gz CLMUTIQIRRNGCI-QHCPKHFHSA-N 1 0 375.516 3.716 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C(F)(F)F)cn2)C(=S)NC(C)C)cc1 ZINC000286413696 912736662 /nfs/dbraw/zinc/73/66/62/912736662.db2.gz GVOFNQDXXYYUNR-UHFFFAOYSA-O 1 0 396.458 3.887 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000612101920 884006432 /nfs/dbraw/zinc/00/64/32/884006432.db2.gz YLIDZYJSYUFOPB-SELNLUPBSA-N 1 0 382.552 4.000 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000805776684 884057586 /nfs/dbraw/zinc/05/75/86/884057586.db2.gz VJIZGIVCVRCVSG-CVEARBPZSA-N 1 0 379.888 3.817 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610349322 884069448 /nfs/dbraw/zinc/06/94/48/884069448.db2.gz BMDIRMMVAPHESP-GHTZIAJQSA-N 1 0 376.504 3.831 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000918688326 884156287 /nfs/dbraw/zinc/15/62/87/884156287.db2.gz MCLMNEQNTISKMQ-KQVJYAISSA-N 1 0 398.551 3.964 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)cc1C#N ZINC001183755070 912800592 /nfs/dbraw/zinc/80/05/92/912800592.db2.gz OAZCBUOPYGWOBU-KRWDZBQOSA-N 1 0 375.472 3.811 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000610370728 884238875 /nfs/dbraw/zinc/23/88/75/884238875.db2.gz VGVGAJQAUQBYLX-UXHICEINSA-N 1 0 382.529 3.607 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)OC(C)(C)C)cc1C#N ZINC000860038063 884280214 /nfs/dbraw/zinc/28/02/14/884280214.db2.gz NBIDRSXIYDCFHF-NBYUQASBSA-N 1 0 397.519 3.644 20 30 GHEDRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001170500565 884398683 /nfs/dbraw/zinc/39/86/83/884398683.db2.gz JAOYLVGZDFXNJO-MRXNPFEDSA-N 1 0 382.895 3.751 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000102749868 884401669 /nfs/dbraw/zinc/40/16/69/884401669.db2.gz QIGJFJKKEIXRQU-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO CCN(C(=O)CNc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000495059385 884464040 /nfs/dbraw/zinc/46/40/40/884464040.db2.gz NGBXAYFTCQMHGU-AVRDEDQJSA-N 1 0 376.504 3.654 20 30 GHEDRO C[NH+]1C(C)(C)CC(NC(=O)[C@H]2CCCCN2Cc2ccccc2C#N)CC1(C)C ZINC001183840433 912845178 /nfs/dbraw/zinc/84/51/78/912845178.db2.gz FVDSCSAQCCPDET-OAQYLSRUSA-N 1 0 396.579 3.680 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/CCCn2cc(Br)cn2)c(O)c1 ZINC000806551812 884804275 /nfs/dbraw/zinc/80/42/75/884804275.db2.gz NIFMMRVJODKXAV-YBFXNURJSA-N 1 0 379.302 3.707 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000795813114 912866298 /nfs/dbraw/zinc/86/62/98/912866298.db2.gz HBXMKCLGMAGOLC-INIZCTEOSA-N 1 0 386.355 3.752 20 30 GHEDRO Cc1ccccc1C(=O)C(C(=S)N[C@@H]1CCCC[C@@H]1C)[n+]1cccc(CO)c1 ZINC000127625762 884840416 /nfs/dbraw/zinc/84/04/16/884840416.db2.gz FHZOVGWBHIPGNY-FXAWDEMLSA-O 1 0 397.564 3.882 20 30 GHEDRO COCC1(C#N)CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000498575034 884878148 /nfs/dbraw/zinc/87/81/48/884878148.db2.gz IVNWANZRANEFTF-UHFFFAOYSA-N 1 0 398.551 3.745 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)Nc2cc(C[NH+](C)C)ccc2OC)cc1OC ZINC000914845342 884922599 /nfs/dbraw/zinc/92/25/99/884922599.db2.gz MABUNEACNFUVLH-FMIVXFBMSA-N 1 0 396.487 3.982 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)CC1 ZINC000106259776 885019329 /nfs/dbraw/zinc/01/93/29/885019329.db2.gz SFQLWYSEBXVHGO-QGZVFWFLSA-N 1 0 389.540 3.883 20 30 GHEDRO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(Br)c1)CC2 ZINC001275269193 912898152 /nfs/dbraw/zinc/89/81/52/912898152.db2.gz SCVILPVYILWPHR-KRWDZBQOSA-N 1 0 377.326 3.744 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000556508428 885168014 /nfs/dbraw/zinc/16/80/14/885168014.db2.gz KRKGCIJDYRVXCM-HXUWFJFHSA-N 1 0 395.572 3.762 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)cc(OC)c1O ZINC000428556479 885226384 /nfs/dbraw/zinc/22/63/84/885226384.db2.gz DQKIYHSOEVMNLD-NRFANRHFSA-N 1 0 398.572 3.837 20 30 GHEDRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCNc3ccc(C#N)cn3)o2)cc1 ZINC001183981355 912939808 /nfs/dbraw/zinc/93/98/08/912939808.db2.gz KUYOELNVAVDPOW-UHFFFAOYSA-N 1 0 390.443 3.592 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc4ccccc4o3)CC2)cc1 ZINC000193336711 885565995 /nfs/dbraw/zinc/56/59/95/885565995.db2.gz JOINGNMTPCAJNN-UHFFFAOYSA-N 1 0 388.471 3.722 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001131027952 885644666 /nfs/dbraw/zinc/64/46/66/885644666.db2.gz RZRBLXVSWNCZSY-CVDCTZTESA-N 1 0 391.515 3.695 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2 ZINC000609296720 885645583 /nfs/dbraw/zinc/64/55/83/885645583.db2.gz RRMVHYBXFJOASH-QFIPXVFZSA-N 1 0 376.504 3.627 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)C(C)(C)C ZINC000861735359 885806376 /nfs/dbraw/zinc/80/63/76/885806376.db2.gz OSMSDNHFHJRBIC-QRVBRYPASA-N 1 0 381.545 3.523 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCc1ccc(C#N)cc1 ZINC001131109345 885898322 /nfs/dbraw/zinc/89/83/22/885898322.db2.gz SFRJUECVIDMMFL-LJQANCHMSA-N 1 0 391.515 3.784 20 30 GHEDRO C[NH+](C)CCN1c2ccccc2C(=NNc2cc(C(F)(F)F)ccc2F)C1=O ZINC000807982404 885905092 /nfs/dbraw/zinc/90/50/92/885905092.db2.gz ZGMROXGEISOIGM-UHFFFAOYSA-N 1 0 394.372 3.569 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000106275278 886030995 /nfs/dbraw/zinc/03/09/95/886030995.db2.gz KDXKKXIYKGAMES-UHFFFAOYSA-N 1 0 395.551 3.691 20 30 GHEDRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCC(C)(C)C#N)c1 ZINC000498905398 886072251 /nfs/dbraw/zinc/07/22/51/886072251.db2.gz OVERCWGBHPZDBM-YADHBBJMSA-N 1 0 375.516 3.877 20 30 GHEDRO N#Cc1cccc(NC(=O)CCN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000026260175 886242847 /nfs/dbraw/zinc/24/28/47/886242847.db2.gz HTJMGFBWXQZEJM-UHFFFAOYSA-N 1 0 398.510 3.858 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862396205 886350143 /nfs/dbraw/zinc/35/01/43/886350143.db2.gz IDFYVWLNXOYQER-RYGJVYDSSA-N 1 0 385.508 3.550 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)C1 ZINC000919815476 886409224 /nfs/dbraw/zinc/40/92/24/886409224.db2.gz IHOFDJFNADCTLV-OALUTQOASA-N 1 0 391.515 3.997 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000862611357 886492777 /nfs/dbraw/zinc/49/27/77/886492777.db2.gz RIHQBPTVPVTTNC-HSZRJFAPSA-N 1 0 391.515 3.500 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc(OC)c1O ZINC000124137911 886710216 /nfs/dbraw/zinc/71/02/16/886710216.db2.gz GWTVYPSDHMYRFU-LJQANCHMSA-N 1 0 396.535 3.827 20 30 GHEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000808789065 886782278 /nfs/dbraw/zinc/78/22/78/886782278.db2.gz DWCAJLLWVIFHNM-MQNAVGNWSA-N 1 0 385.467 3.950 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153623089 886782957 /nfs/dbraw/zinc/78/29/57/886782957.db2.gz KQRZLMBEOSCYII-CQSZACIVSA-N 1 0 375.900 3.677 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)Nc2ccc(C#N)c(Br)c2)CCCC1 ZINC000487985526 887156592 /nfs/dbraw/zinc/15/65/92/887156592.db2.gz QWQYYLUEGMPYJA-UHFFFAOYSA-N 1 0 379.302 3.564 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487991573 887177581 /nfs/dbraw/zinc/17/75/81/887177581.db2.gz JEGQLNHFGFCTQD-AWEZNQCLSA-N 1 0 393.329 3.954 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000488001678 887279881 /nfs/dbraw/zinc/27/98/81/887279881.db2.gz VNPNIQYISLPNEP-UHFFFAOYSA-N 1 0 394.950 3.998 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670220345 887293201 /nfs/dbraw/zinc/29/32/01/887293201.db2.gz UIXHSGOCZFTZIW-FQEVSTJZSA-N 1 0 395.551 3.806 20 30 GHEDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N(O)Cc1ccccc1Cl ZINC001184283477 913133471 /nfs/dbraw/zinc/13/34/71/913133471.db2.gz LOGVANFCSIMZLS-UHFFFAOYSA-N 1 0 387.911 3.660 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000915732249 887371653 /nfs/dbraw/zinc/37/16/53/887371653.db2.gz WLFVGIZTDXHEFL-PKNBQFBNSA-N 1 0 386.536 3.854 20 30 GHEDRO C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272400189 887376688 /nfs/dbraw/zinc/37/66/88/887376688.db2.gz YSQFCIAJAJVXKN-AVRDEDQJSA-N 1 0 376.504 3.610 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccc(Br)cc1)C(C)C ZINC000496016193 887389034 /nfs/dbraw/zinc/38/90/34/887389034.db2.gz ZUZODFHGRNCBBS-GOSISDBHSA-N 1 0 379.342 3.806 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCCC2)C[C@H]1C(F)(F)F ZINC001168499386 887480305 /nfs/dbraw/zinc/48/03/05/887480305.db2.gz BMIXAHPWLSXECT-KBPBESRZSA-N 1 0 375.435 3.990 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000393697993 887560154 /nfs/dbraw/zinc/56/01/54/887560154.db2.gz LEGQCGWTXPXXRY-ZETCQYMHSA-N 1 0 378.263 3.756 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@@H]2CCCC23CCOCC3)sc2c1CCCCC2 ZINC000282114104 887657438 /nfs/dbraw/zinc/65/74/38/887657438.db2.gz QEZNVWNGFDXEBS-GOSISDBHSA-N 1 0 387.549 3.766 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000171739802 887675889 /nfs/dbraw/zinc/67/58/89/887675889.db2.gz JAZBHVHWTYCQIB-UHFFFAOYSA-N 1 0 389.927 3.595 20 30 GHEDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000809779094 887831293 /nfs/dbraw/zinc/83/12/93/887831293.db2.gz DDGJDQZCYUSTCA-NRFANRHFSA-N 1 0 393.487 3.848 20 30 GHEDRO N#CCCN(Cc1cccnc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403100 913185754 /nfs/dbraw/zinc/18/57/54/913185754.db2.gz WNZGYVFZWZFAKR-HXUWFJFHSA-N 1 0 396.922 3.889 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(C#N)c1 ZINC001184403096 913186825 /nfs/dbraw/zinc/18/68/25/913186825.db2.gz KEPKWUWQADYIFM-KRWDZBQOSA-N 1 0 378.863 3.934 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000174814192 887989646 /nfs/dbraw/zinc/98/96/46/887989646.db2.gz UFYFUPANMAYZGS-UHFFFAOYSA-N 1 0 384.867 3.828 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)CC1 ZINC000865192547 888243629 /nfs/dbraw/zinc/24/36/29/888243629.db2.gz ATXULAISXOVTGV-UHFFFAOYSA-N 1 0 396.331 3.984 20 30 GHEDRO Cc1cc(F)ccc1N(CC#N)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC001132126985 888262881 /nfs/dbraw/zinc/26/28/81/888262881.db2.gz WZGQKZXDORYZCZ-IZZDOVSWSA-N 1 0 381.451 3.645 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)nc1 ZINC000810235481 888311978 /nfs/dbraw/zinc/31/19/78/888311978.db2.gz QPWINTPILYVGPT-CXAGYDPISA-N 1 0 399.292 3.562 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000794842203 888385973 /nfs/dbraw/zinc/38/59/73/888385973.db2.gz QFUSBZNJDPOJDJ-RDTXWAMCSA-N 1 0 379.378 3.981 20 30 GHEDRO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000810404430 888504586 /nfs/dbraw/zinc/50/45/86/888504586.db2.gz BFXCJMIICGYHGM-HXUWFJFHSA-N 1 0 386.417 3.620 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000865696056 888519434 /nfs/dbraw/zinc/51/94/34/888519434.db2.gz UNMRRDAUKRIDEA-UHFFFAOYSA-N 1 0 385.471 3.899 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)Cc2cccc(OCC#N)c2)c2ccccc2)CC1 ZINC000120700702 888531336 /nfs/dbraw/zinc/53/13/36/888531336.db2.gz ARCKVISAHSBNSZ-HSZRJFAPSA-N 1 0 391.515 3.721 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC000865714154 888537344 /nfs/dbraw/zinc/53/73/44/888537344.db2.gz HFHUOGBMKUTHTN-WGSAOQKQSA-N 1 0 386.540 3.962 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cc(NCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000865937842 888655197 /nfs/dbraw/zinc/65/51/97/888655197.db2.gz DJSLPPQAYFROQZ-UHFFFAOYSA-N 1 0 375.398 3.691 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000153826487 888678949 /nfs/dbraw/zinc/67/89/49/888678949.db2.gz OOKUYFAIBKVIBO-FQEVSTJZSA-N 1 0 394.515 3.722 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc(OC)c1OC ZINC001132400562 888769248 /nfs/dbraw/zinc/76/92/48/888769248.db2.gz MDHAWLFMMWZXHY-HXUWFJFHSA-N 1 0 386.536 3.959 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)CCC[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000429744435 888774321 /nfs/dbraw/zinc/77/43/21/888774321.db2.gz APTANYWKSMXEFD-UHFFFAOYSA-N 1 0 396.487 3.555 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(F)c2OC)no1 ZINC001211976020 888783949 /nfs/dbraw/zinc/78/39/49/888783949.db2.gz XIRIRIANTNJPGD-PBHICJAKSA-N 1 0 377.460 3.962 20 30 GHEDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000866385142 888852031 /nfs/dbraw/zinc/85/20/31/888852031.db2.gz RXWCFTGPGHZBFS-MRXNPFEDSA-N 1 0 396.466 3.791 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000866448154 888882949 /nfs/dbraw/zinc/88/29/49/888882949.db2.gz AIZYKLJKHPRBCS-QGZVFWFLSA-N 1 0 376.504 3.580 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1 ZINC000916306868 888908685 /nfs/dbraw/zinc/90/86/85/888908685.db2.gz FDTWJHCPRWCDKB-UHFFFAOYSA-N 1 0 380.561 3.848 20 30 GHEDRO CCc1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000916307169 888910591 /nfs/dbraw/zinc/91/05/91/888910591.db2.gz UQZGJPNAWWFSLU-UHFFFAOYSA-N 1 0 380.561 3.712 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)O[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000810852008 888958997 /nfs/dbraw/zinc/95/89/97/888958997.db2.gz VFBYBXXFZJONHZ-UNMCSNQZSA-N 1 0 376.456 3.921 20 30 GHEDRO N#CCc1ccsc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000866714800 889015642 /nfs/dbraw/zinc/01/56/42/889015642.db2.gz XPQACQQEVYQLHN-VQTJNVASSA-N 1 0 379.529 3.941 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)C(C)C ZINC000916521830 889081085 /nfs/dbraw/zinc/08/10/85/889081085.db2.gz PYZVCHQXWOTXQL-GOTSBHOMSA-N 1 0 399.579 3.840 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC001168510401 889122109 /nfs/dbraw/zinc/12/21/09/889122109.db2.gz VRZMVPJQMVIMAM-HSZRJFAPSA-N 1 0 376.456 3.509 20 30 GHEDRO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OCCCC#N ZINC000245686206 889225699 /nfs/dbraw/zinc/22/56/99/889225699.db2.gz AIKRRADRKLQLCD-FPOVZHCZSA-N 1 0 383.536 3.826 20 30 GHEDRO C[C@H](NC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000868116291 889302971 /nfs/dbraw/zinc/30/29/71/889302971.db2.gz BXGIBQHKFKTKMQ-SFHVURJKSA-N 1 0 388.515 3.808 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)C(F)(F)F)c1 ZINC000868210403 889354155 /nfs/dbraw/zinc/35/41/55/889354155.db2.gz NYWSZJACAMOTLX-SFHVURJKSA-N 1 0 390.409 3.722 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000868253212 889370833 /nfs/dbraw/zinc/37/08/33/889370833.db2.gz LYUVDJLMEXXBER-IBGZPJMESA-N 1 0 384.524 3.527 20 30 GHEDRO CC[NH+](CC)CCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000475947737 889451738 /nfs/dbraw/zinc/45/17/38/889451738.db2.gz VFPVYLADMCMFAY-UHFFFAOYSA-N 1 0 383.521 3.612 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1OC ZINC000124161305 889527756 /nfs/dbraw/zinc/52/77/56/889527756.db2.gz UZWSQBDMGWGLAE-IBGZPJMESA-N 1 0 396.535 3.958 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000533052876 889630567 /nfs/dbraw/zinc/63/05/67/889630567.db2.gz VGGXLZXVGWDOAS-KZNAEPCWSA-N 1 0 386.565 3.578 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017363029 889785138 /nfs/dbraw/zinc/78/51/38/889785138.db2.gz DLWQACRKJVPRHR-UHFFFAOYSA-N 1 0 388.471 3.645 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2c2ccnn2C)c1 ZINC000533219154 890024217 /nfs/dbraw/zinc/02/42/17/890024217.db2.gz ZZJXGSORPPIAOV-OAQYLSRUSA-N 1 0 379.508 3.511 20 30 GHEDRO N#Cc1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1[N+](=O)[O-] ZINC000811824785 890040473 /nfs/dbraw/zinc/04/04/73/890040473.db2.gz SZJYWJXEPSIHGW-UHFFFAOYSA-N 1 0 391.475 3.611 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)CC1 ZINC000811875952 890070038 /nfs/dbraw/zinc/07/00/38/890070038.db2.gz HXUNGPCRPXXQDC-SFHVURJKSA-N 1 0 398.551 3.604 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000533251339 890098146 /nfs/dbraw/zinc/09/81/46/890098146.db2.gz JLUBDYFBLSARAQ-OAQYLSRUSA-N 1 0 398.595 3.992 20 30 GHEDRO C=CCCCCCCC[N@H+]1CC[C@@]2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001275335333 913420866 /nfs/dbraw/zinc/42/08/66/913420866.db2.gz HQSHSAAKGBOENY-GOSISDBHSA-N 1 0 376.463 3.769 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870187592 890253147 /nfs/dbraw/zinc/25/31/47/890253147.db2.gz WEPVROOCMAEBSB-LJQANCHMSA-N 1 0 375.516 3.517 20 30 GHEDRO C[NH+]1CCC(CNC(=O)C[C@H](CC#N)c2ccccc2)(c2ccccc2)CC1 ZINC000870187651 890253416 /nfs/dbraw/zinc/25/34/16/890253416.db2.gz BGGDONWNPJNGDL-NRFANRHFSA-N 1 0 375.516 3.854 20 30 GHEDRO C=CC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000455052576 890254138 /nfs/dbraw/zinc/25/41/38/890254138.db2.gz OFGOZTPSFPLVGD-QFIPXVFZSA-N 1 0 397.563 3.523 20 30 GHEDRO C=CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000455052574 890254441 /nfs/dbraw/zinc/25/44/41/890254441.db2.gz OFGOZTPSFPLVGD-JOCHJYFZSA-N 1 0 397.563 3.523 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4cc(F)cc(F)c4C3)CC2)cc1 ZINC001170678114 890688178 /nfs/dbraw/zinc/68/81/78/890688178.db2.gz VSSYWGHRPVSXKV-FQEVSTJZSA-N 1 0 395.453 3.588 20 30 GHEDRO N#CCCCN1C(=O)[C@@]2(CC[N@@H+](Cc3cnc(Cl)s3)C2)c2ccccc21 ZINC001275348597 913499271 /nfs/dbraw/zinc/49/92/71/913499271.db2.gz LWAMQESSZCQAHP-LJQANCHMSA-N 1 0 386.908 3.591 20 30 GHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000287730626 913508038 /nfs/dbraw/zinc/50/80/38/913508038.db2.gz YJYIFBOXQKHXOM-UHFFFAOYSA-N 1 0 394.494 3.923 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849469 891041557 /nfs/dbraw/zinc/04/15/57/891041557.db2.gz OCCFMUGYQYSJQE-RDPSFJRHSA-N 1 0 393.531 3.994 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)cc1 ZINC000812862840 891077692 /nfs/dbraw/zinc/07/76/92/891077692.db2.gz KLRWDXTVHYSXSM-QHCPKHFHSA-N 1 0 380.488 3.911 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1 ZINC000812865898 891084733 /nfs/dbraw/zinc/08/47/33/891084733.db2.gz IXEXBOMNJYVVNV-QHCPKHFHSA-N 1 0 380.488 3.781 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2ccc(Br)cc2F)CC1 ZINC000106035651 891173086 /nfs/dbraw/zinc/17/30/86/891173086.db2.gz WBNXDOJUKNYKOP-UHFFFAOYSA-N 1 0 383.305 3.678 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C2)CC1 ZINC000533699186 891213349 /nfs/dbraw/zinc/21/33/49/891213349.db2.gz WJPYOTKHKOYIAG-IBGZPJMESA-N 1 0 393.487 3.534 20 30 GHEDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000191847437 891570095 /nfs/dbraw/zinc/57/00/95/891570095.db2.gz PMLBHZHWCFHZSS-OXJNMPFZSA-N 1 0 398.551 3.524 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000497443535 891603855 /nfs/dbraw/zinc/60/38/55/891603855.db2.gz SIJGPTKBLAJZJO-FQEVSTJZSA-N 1 0 397.519 3.524 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1C#N ZINC000888227656 891712662 /nfs/dbraw/zinc/71/26/62/891712662.db2.gz QSWFWCYAXSGFCY-UHFFFAOYSA-N 1 0 390.553 3.682 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000497624366 892005076 /nfs/dbraw/zinc/00/50/76/892005076.db2.gz XBXRDZHMKDFFGZ-NRFANRHFSA-N 1 0 381.520 3.584 20 30 GHEDRO CC[N@H+](C[C@H](O)COc1ccc(C(C)=O)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000497618813 892022955 /nfs/dbraw/zinc/02/29/55/892022955.db2.gz PKQFHFZOUGGHEH-IERDGZPVSA-N 1 0 396.487 3.592 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)ccc1OC ZINC000813860799 892032379 /nfs/dbraw/zinc/03/23/79/892032379.db2.gz VRCPSSDFJWVLHQ-UZLBHIALSA-N 1 0 395.503 3.929 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000729809728 892225198 /nfs/dbraw/zinc/22/51/98/892225198.db2.gz OLDFTJZHBKUJST-JTHBVZDNSA-N 1 0 387.483 3.635 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)/C=C/c1ccccc1C#N)[NH+]1CCCCC1 ZINC000917777555 892536831 /nfs/dbraw/zinc/53/68/31/892536831.db2.gz BHCKDVYSZWDFNF-TWLJRWAQSA-N 1 0 389.499 3.923 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508704164 892759214 /nfs/dbraw/zinc/75/92/14/892759214.db2.gz BLHGYHOKXCOLQA-UHFFFAOYSA-N 1 0 395.551 3.806 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)c1C#N ZINC000533758923 892837422 /nfs/dbraw/zinc/83/74/22/892837422.db2.gz MYNXUTSGRFXAKI-GOSISDBHSA-N 1 0 388.471 3.668 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000778167246 893018230 /nfs/dbraw/zinc/01/82/30/893018230.db2.gz DNDCZHLUNDZAHG-UHFFFAOYSA-N 1 0 398.934 3.599 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](CCOc1ccccc1C#N)CC2 ZINC000814645746 893040680 /nfs/dbraw/zinc/04/06/80/893040680.db2.gz LKTLYIHCWQFLFK-UHFFFAOYSA-N 1 0 385.508 3.660 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000814677719 893061612 /nfs/dbraw/zinc/06/16/12/893061612.db2.gz KLRXZBTZJAXCLY-XLIONFOSSA-N 1 0 385.305 3.919 20 30 GHEDRO N#Cc1ccnc(C[N@H+]2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 ZINC001170757895 893081821 /nfs/dbraw/zinc/08/18/21/893081821.db2.gz WNCSBBBHLZMQPQ-LPHOPBHVSA-N 1 0 386.293 3.661 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)nc1C ZINC000814727563 893105272 /nfs/dbraw/zinc/10/52/72/893105272.db2.gz QZOLUEHJCVEGRX-UHFFFAOYSA-N 1 0 395.576 3.551 20 30 GHEDRO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000129198415 893155467 /nfs/dbraw/zinc/15/54/67/893155467.db2.gz ZEEOOVONZCPKNB-MAUKXSAKSA-N 1 0 392.425 3.744 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000876640367 893268604 /nfs/dbraw/zinc/26/86/04/893268604.db2.gz SFHYQGCDQMDERZ-UKRRQHHQSA-N 1 0 395.290 3.566 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455792480 893288560 /nfs/dbraw/zinc/28/85/60/893288560.db2.gz LMFGJSGQNRHDRL-UHFFFAOYSA-N 1 0 395.507 3.726 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000877086442 893477324 /nfs/dbraw/zinc/47/73/24/893477324.db2.gz YKWQDMZTNNXHHM-CVDCTZTESA-N 1 0 394.515 3.988 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC(C)(C)CCCO ZINC000925301416 893543729 /nfs/dbraw/zinc/54/37/29/893543729.db2.gz WAJBUZDDFPQWKE-QGZVFWFLSA-N 1 0 381.561 3.694 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877272806 893547963 /nfs/dbraw/zinc/54/79/63/893547963.db2.gz ARBJIYFJGGVFAZ-CHWSQXEVSA-N 1 0 398.322 3.943 20 30 GHEDRO CCOc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(Cl)c1O ZINC000459454202 893555818 /nfs/dbraw/zinc/55/58/18/893555818.db2.gz BYCBIJCHVHVSRS-SFHVURJKSA-N 1 0 399.878 3.601 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000536731108 893642456 /nfs/dbraw/zinc/64/24/56/893642456.db2.gz HPBXVTVCMMDWKF-RTWAWAEBSA-N 1 0 391.515 3.669 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000877491517 893644209 /nfs/dbraw/zinc/64/42/09/893644209.db2.gz LFWFDZKAQWILSB-KRWDZBQOSA-N 1 0 377.529 3.632 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000877498750 893647555 /nfs/dbraw/zinc/64/75/55/893647555.db2.gz UZNOFAPCMRKFRQ-IBGZPJMESA-N 1 0 398.551 3.976 20 30 GHEDRO CCOC(=O)Cn1cc(C[NH2+]CC2CCC(C#N)CC2)c(-c2ccccc2)n1 ZINC000877502125 893649889 /nfs/dbraw/zinc/64/98/89/893649889.db2.gz YXSLLTFZASGRRX-UHFFFAOYSA-N 1 0 380.492 3.533 20 30 GHEDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000877694210 893767790 /nfs/dbraw/zinc/76/77/90/893767790.db2.gz DUFOFLLZLXCSAG-GOSISDBHSA-N 1 0 377.488 3.680 20 30 GHEDRO Cc1nsc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000459554765 893793594 /nfs/dbraw/zinc/79/35/94/893793594.db2.gz AVLKNOGZROMIDB-KBPBESRZSA-N 1 0 383.521 3.601 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000878047895 893979472 /nfs/dbraw/zinc/97/94/72/893979472.db2.gz KREZNXCJVKAJKB-NFBKMPQASA-N 1 0 376.456 3.993 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878053292 893984695 /nfs/dbraw/zinc/98/46/95/893984695.db2.gz DTYPNFUZTDQMHW-WMZHIEFXSA-N 1 0 399.535 3.616 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662783 894015773 /nfs/dbraw/zinc/01/57/73/894015773.db2.gz NZOQREUXQNLEKK-QGZVFWFLSA-N 1 0 395.425 3.568 20 30 GHEDRO CC(=O)[C@](C#N)(CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000878150314 894051817 /nfs/dbraw/zinc/05/18/17/894051817.db2.gz IQJUEMDZLWDHHC-ILBGXUMGSA-N 1 0 389.543 3.881 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000878171437 894069771 /nfs/dbraw/zinc/06/97/71/894069771.db2.gz LBEHTYVZIRDWLI-DNQXCXABSA-N 1 0 375.516 3.633 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC001135162290 894133281 /nfs/dbraw/zinc/13/32/81/894133281.db2.gz UIUWWDHMHPQUIJ-DHIUTWEWSA-N 1 0 388.515 3.830 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@H+](CCCO)Cc1cccc(Cl)c1)c1ccccc1 ZINC000878274292 894148149 /nfs/dbraw/zinc/14/81/49/894148149.db2.gz JTEIOODBJFMWAS-QFIPXVFZSA-N 1 0 384.907 3.965 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000459789112 894203212 /nfs/dbraw/zinc/20/32/12/894203212.db2.gz RGDUWNQANQOZMG-IMFGXOCKSA-N 1 0 380.492 3.725 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935147133 894229871 /nfs/dbraw/zinc/22/98/71/894229871.db2.gz LJQWHTGTVLMXOY-YOEHRIQHSA-N 1 0 395.931 3.625 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000563872447 894281400 /nfs/dbraw/zinc/28/14/00/894281400.db2.gz CWFGJIFOUYHHMO-UHFFFAOYSA-N 1 0 378.524 3.539 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccccc2CC)cc1 ZINC000022692357 894283832 /nfs/dbraw/zinc/28/38/32/894283832.db2.gz XJWNOGNXKXEWRG-FQEVSTJZSA-O 1 0 397.564 3.806 20 30 GHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(C#N)CCCCC3)cc2)C[C@@H]1C ZINC000537139518 894396475 /nfs/dbraw/zinc/39/64/75/894396475.db2.gz NGWUYVMBFZJEIB-PMACEKPBSA-N 1 0 397.563 3.786 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(CCC)cc1 ZINC000022795479 894406890 /nfs/dbraw/zinc/40/68/90/894406890.db2.gz WPAOLYZTOMBJNI-UHFFFAOYSA-O 1 0 398.508 3.939 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(CC)cc1 ZINC000022798624 894408464 /nfs/dbraw/zinc/40/84/64/894408464.db2.gz SEGGZEQPLWBOQW-UHFFFAOYSA-O 1 0 398.508 3.858 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(CO)c1 ZINC000022804646 894452413 /nfs/dbraw/zinc/45/24/13/894452413.db2.gz CVDRYTXVMVNCOS-UHFFFAOYSA-O 1 0 385.553 3.702 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000537407524 894927851 /nfs/dbraw/zinc/92/78/51/894927851.db2.gz QCRDGZXGFDWZAA-BXUZGUMPSA-N 1 0 375.806 3.946 20 30 GHEDRO C=CCCC[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000879342338 894995328 /nfs/dbraw/zinc/99/53/28/894995328.db2.gz ACVOHLFWWKGLIQ-AKIFATBCSA-N 1 0 383.580 3.611 20 30 GHEDRO COc1ccc([C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000879461146 895071392 /nfs/dbraw/zinc/07/13/92/895071392.db2.gz DTDDXZHLBMLWKL-MFHCWRBVSA-N 1 0 385.508 3.680 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(=O)N(Cc3ccccc3C(F)(F)F)C1)CC2 ZINC000564558474 895081166 /nfs/dbraw/zinc/08/11/66/895081166.db2.gz KQYYLZLIQAGBPH-PXNSSMCTSA-N 1 0 399.416 3.955 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000879481595 895085424 /nfs/dbraw/zinc/08/54/24/895085424.db2.gz CZZVRAOFBJHSGI-UHFFFAOYSA-N 1 0 382.386 3.549 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1C ZINC000564590016 895103780 /nfs/dbraw/zinc/10/37/80/895103780.db2.gz GQMNRTCDAMMIOH-SFHVURJKSA-N 1 0 381.524 3.539 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000564670948 895168939 /nfs/dbraw/zinc/16/89/39/895168939.db2.gz WPIXNFOGNGUPAI-REWPJTCUSA-N 1 0 389.499 3.595 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000879755687 895273821 /nfs/dbraw/zinc/27/38/21/895273821.db2.gz OARAPBAERGEPIV-ROUUACIJSA-N 1 0 377.529 3.561 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N2CCC(CCC#N)CC2)[NH+]2CCCCC2)cc1 ZINC000564890055 895303275 /nfs/dbraw/zinc/30/32/75/895303275.db2.gz IDMPUSKYBVUGTD-QFIPXVFZSA-N 1 0 398.551 3.948 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000564966710 895333951 /nfs/dbraw/zinc/33/39/51/895333951.db2.gz YRXNZTOEWATRBM-SFHVURJKSA-N 1 0 391.924 3.555 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC001135825210 895352525 /nfs/dbraw/zinc/35/25/25/895352525.db2.gz JTPPLAQCAXONCQ-JOCHJYFZSA-N 1 0 382.504 3.612 20 30 GHEDRO C=C[C@@H](CC)CC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001135856760 895427417 /nfs/dbraw/zinc/42/74/17/895427417.db2.gz RGYVXZZTVPXODI-KRWDZBQOSA-N 1 0 397.485 3.936 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223061 895580168 /nfs/dbraw/zinc/58/01/68/895580168.db2.gz QWGSQFVFOKDJSZ-SGXKBVARSA-N 1 0 395.528 3.517 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCCOC1 ZINC000880467612 895721537 /nfs/dbraw/zinc/72/15/37/895721537.db2.gz GGGQLFFCAUCVDH-FXAWDEMLSA-N 1 0 386.540 3.825 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCCOC1 ZINC000880468414 895721746 /nfs/dbraw/zinc/72/17/46/895721746.db2.gz DAJBCAIFPNHCJS-IKGGRYGDSA-N 1 0 375.538 3.814 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880474999 895724264 /nfs/dbraw/zinc/72/42/64/895724264.db2.gz QVDOUIZMVGHQIA-QGZVFWFLSA-N 1 0 386.565 3.580 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1OC ZINC000818004852 895986813 /nfs/dbraw/zinc/98/68/13/895986813.db2.gz LTIMHBBQVYLJTE-FNORWQNLSA-N 1 0 399.516 3.835 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000880926651 896003918 /nfs/dbraw/zinc/00/39/18/896003918.db2.gz BJJLGJKSJTVETK-KRWDZBQOSA-N 1 0 394.397 3.528 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000880930625 896008338 /nfs/dbraw/zinc/00/83/38/896008338.db2.gz WSAPJNYFIYARTQ-DYVFJYSZSA-N 1 0 382.430 3.533 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000880930627 896008577 /nfs/dbraw/zinc/00/85/77/896008577.db2.gz WSAPJNYFIYARTQ-SUMWQHHRSA-N 1 0 382.430 3.533 20 30 GHEDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(OCc3ccccc3C#N)c1)C[C@@H](C)O2 ZINC000566080756 896096081 /nfs/dbraw/zinc/09/60/81/896096081.db2.gz IVCDPEXGRIPLMI-YDIMBITNSA-N 1 0 392.499 3.906 20 30 GHEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2C(=O)OC(C)(C)C)nn1 ZINC000818347264 896101705 /nfs/dbraw/zinc/10/17/05/896101705.db2.gz OVIULUGRYLNVTM-GUDVDZBRSA-N 1 0 389.544 3.512 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1c(C)onc1-c1ccc(Cl)c(Cl)c1 ZINC000818584637 896214883 /nfs/dbraw/zinc/21/48/83/896214883.db2.gz SIWBHLQDEDMSAF-UHFFFAOYSA-N 1 0 380.275 3.642 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000818612266 896217065 /nfs/dbraw/zinc/21/70/65/896217065.db2.gz RFVUTDHHAGLILN-UHFFFAOYSA-N 1 0 386.927 3.643 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000818602727 896233676 /nfs/dbraw/zinc/23/36/76/896233676.db2.gz APGIAEMSSQMMJY-UHFFFAOYSA-N 1 0 392.528 3.540 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]CCC(=O)Nc2cccc(F)c2)ccc1OC ZINC000819066479 896382542 /nfs/dbraw/zinc/38/25/42/896382542.db2.gz BEZNCRCTAXJYEP-GOSISDBHSA-N 1 0 385.439 3.634 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C1CC1 ZINC000566576799 896387695 /nfs/dbraw/zinc/38/76/95/896387695.db2.gz YAADYWMHCYHUGL-HNNXBMFYSA-N 1 0 384.261 3.564 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000819146264 896403599 /nfs/dbraw/zinc/40/35/99/896403599.db2.gz NUAXSNWUVDYXIA-HXUWFJFHSA-N 1 0 381.476 3.771 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000819205487 896432250 /nfs/dbraw/zinc/43/22/50/896432250.db2.gz MNGQEPKALDSHFZ-HSZRJFAPSA-N 1 0 395.503 3.591 20 30 GHEDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c(OC(F)F)c1 ZINC000819159839 896433757 /nfs/dbraw/zinc/43/37/57/896433757.db2.gz RBWNWZCEKQWIOL-GOSISDBHSA-N 1 0 376.403 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000819182863 896452535 /nfs/dbraw/zinc/45/25/35/896452535.db2.gz IVWJHSGXKQHOOL-UGKGYDQZSA-N 1 0 387.524 3.773 20 30 GHEDRO C[C@@](O)(C[NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Br)cc1F ZINC000819271502 896557928 /nfs/dbraw/zinc/55/79/28/896557928.db2.gz SEGNWNIPYFYIRB-RTBURBONSA-N 1 0 389.268 3.944 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000566825191 896604102 /nfs/dbraw/zinc/60/41/02/896604102.db2.gz IXWMAVQHLNBBIJ-OALUTQOASA-N 1 0 388.519 3.625 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000567070457 896846885 /nfs/dbraw/zinc/84/68/85/896846885.db2.gz XBBBZRWFOKUIIZ-MRXNPFEDSA-N 1 0 391.496 3.723 20 30 GHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882725134 896935828 /nfs/dbraw/zinc/93/58/28/896935828.db2.gz KZJLTQPVZLDXBD-HNNXBMFYSA-N 1 0 388.874 3.636 20 30 GHEDRO COc1cc(-c2noc(/C=C\c3ccc(C#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000567317870 897055204 /nfs/dbraw/zinc/05/52/04/897055204.db2.gz IFFYKDCUIXLIGN-FLIBITNWSA-N 1 0 390.443 3.728 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000567345596 897081047 /nfs/dbraw/zinc/08/10/47/897081047.db2.gz MTTWQIGSOVUVDK-PKOBYXMFSA-N 1 0 378.394 3.624 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000567552101 897243576 /nfs/dbraw/zinc/24/35/76/897243576.db2.gz LTZUGXNPDWFOHE-LJQANCHMSA-N 1 0 379.479 3.658 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC001275473868 914148637 /nfs/dbraw/zinc/14/86/37/914148637.db2.gz HYJGQJOLSWCCQL-UYAOXDASSA-N 1 0 397.316 3.762 20 30 GHEDRO N#CCOc1cccc(CC(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)c1 ZINC000820498244 897340629 /nfs/dbraw/zinc/34/06/29/897340629.db2.gz SRMJDVORKGRKQI-UHFFFAOYSA-N 1 0 390.443 3.507 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/CC(=O)Nc2cccc3cccnc32)c(O)c1 ZINC000131194259 897352930 /nfs/dbraw/zinc/35/29/30/897352930.db2.gz LKMJWXRKHAFZSZ-OEAKJJBVSA-N 1 0 376.460 3.844 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@H]1Cc2ccccc2O1 ZINC000883225893 897384637 /nfs/dbraw/zinc/38/46/37/897384637.db2.gz OKROXVWHCAJISE-LDVNLBKXSA-N 1 0 377.550 3.518 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)C1 ZINC000805750547 897391657 /nfs/dbraw/zinc/39/16/57/897391657.db2.gz OHPTWFKBMKXWIK-UKRRQHHQSA-N 1 0 394.313 3.667 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000568040116 897550651 /nfs/dbraw/zinc/55/06/51/897550651.db2.gz AQMZKBDCYGXERE-FDDCHVKYSA-N 1 0 388.515 3.993 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000132752401 897893285 /nfs/dbraw/zinc/89/32/85/897893285.db2.gz LSABRJIRFIOCSU-YADHBBJMSA-N 1 0 384.474 3.850 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)CC1 ZINC000106036960 898247227 /nfs/dbraw/zinc/24/72/27/898247227.db2.gz NBANHDPMXXGNHL-UHFFFAOYSA-N 1 0 390.549 3.525 20 30 GHEDRO COC(=O)c1ccc(C(=N)Nc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)cc1 ZINC001170985341 898313166 /nfs/dbraw/zinc/31/31/66/898313166.db2.gz QXWOOFMKBBRYCF-UHFFFAOYSA-N 1 0 390.487 3.630 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000303071147 914259720 /nfs/dbraw/zinc/25/97/20/914259720.db2.gz OZWJDUMRVWQCFF-HXUWFJFHSA-N 1 0 382.454 3.839 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=O)Nc3c(F)cc(F)cc3F)CC2)cc1 ZINC001186069381 914272150 /nfs/dbraw/zinc/27/21/50/914272150.db2.gz RCPPKRNUNNORJW-UHFFFAOYSA-N 1 0 388.393 3.762 20 30 GHEDRO CN(Cc1cc(C#N)ccc1F)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000155409307 898735407 /nfs/dbraw/zinc/73/54/07/898735407.db2.gz OVLXFVSKUKWFNQ-UHFFFAOYSA-N 1 0 380.511 3.860 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(C)C ZINC001136650224 898757273 /nfs/dbraw/zinc/75/72/73/898757273.db2.gz TYRUKQXGYXNTOK-ZWKOTPCHSA-N 1 0 395.588 3.741 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C2 ZINC000884078999 898805040 /nfs/dbraw/zinc/80/50/40/898805040.db2.gz DMWYTVFBRKDMRQ-VSOMRHIXSA-N 1 0 378.303 3.796 20 30 GHEDRO C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000884087375 898833342 /nfs/dbraw/zinc/83/33/42/898833342.db2.gz ATGGLFXCGFKJFY-NSEPKGLRSA-N 1 0 393.462 3.935 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(COCCc3ccccc3)c1)C2 ZINC000884106821 898896074 /nfs/dbraw/zinc/89/60/74/898896074.db2.gz CBWCUSRRKSHTTQ-ZPGVXSSASA-N 1 0 389.499 3.524 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)ccc1C#N ZINC000569861225 898990768 /nfs/dbraw/zinc/99/07/68/898990768.db2.gz PSZAITVPNJVQDL-UNMCSNQZSA-N 1 0 398.528 3.750 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3cc(Br)ccc3c1)C2 ZINC000884133449 899022380 /nfs/dbraw/zinc/02/23/80/899022380.db2.gz ZBLYXPDCWCBDHW-XAUUPUKJSA-N 1 0 384.277 3.680 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(Cl)c1SCC(F)F)C2 ZINC000884147110 899080179 /nfs/dbraw/zinc/08/01/79/899080179.db2.gz ZUCXYQCZDUJZBE-VVHFOWEKSA-N 1 0 385.867 3.775 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)C2 ZINC000884162146 899135730 /nfs/dbraw/zinc/13/57/30/899135730.db2.gz XDJHLUZLZZJJSY-SXNVSDRVSA-N 1 0 397.881 3.824 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)sc2C1 ZINC000331943422 899283102 /nfs/dbraw/zinc/28/31/02/899283102.db2.gz MIUKPAXSLGNLQB-HZSPNIEDSA-N 1 0 388.537 3.709 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000570409028 899306976 /nfs/dbraw/zinc/30/69/76/899306976.db2.gz NAGVKDALPTXRGN-GOSISDBHSA-N 1 0 375.394 3.804 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000289763805 914335074 /nfs/dbraw/zinc/33/50/74/914335074.db2.gz KHZIHGNMSYVMGF-MRXNPFEDSA-N 1 0 379.464 3.551 20 30 GHEDRO COC(=O)c1ccc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C#N)n1 ZINC000570463246 899327856 /nfs/dbraw/zinc/32/78/56/899327856.db2.gz WMQHNQGXTMYLTF-INIZCTEOSA-N 1 0 378.476 3.584 20 30 GHEDRO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000570655096 899475475 /nfs/dbraw/zinc/47/54/75/899475475.db2.gz KKHQTHCGSNIUTB-KRWDZBQOSA-N 1 0 378.524 3.708 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)c1C#N ZINC000570857065 899643216 /nfs/dbraw/zinc/64/32/16/899643216.db2.gz BRSDFNTXMZGQQU-KXBFYZLASA-N 1 0 386.540 3.513 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824627313 899726124 /nfs/dbraw/zinc/72/61/24/899726124.db2.gz WULCGWJIBTUAPE-OAHLLOKOSA-N 1 0 381.443 3.651 20 30 GHEDRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(OC)c1 ZINC000824733746 899793101 /nfs/dbraw/zinc/79/31/01/899793101.db2.gz XRPYLZAITXMQNA-HZPDHXFCSA-N 1 0 384.476 3.724 20 30 GHEDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]2C1)C(F)(F)F ZINC000824828224 899849705 /nfs/dbraw/zinc/84/97/05/899849705.db2.gz MBUPKPJBKVCNLV-CMPLNLGQSA-N 1 0 398.322 3.687 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135324649 900224044 /nfs/dbraw/zinc/22/40/44/900224044.db2.gz PYEWWHZVALNNFP-UHFFFAOYSA-N 1 0 384.455 3.844 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCCN(Cc3c(F)ccc(OC)c3F)C2)CC1 ZINC001143971821 900850987 /nfs/dbraw/zinc/85/09/87/900850987.db2.gz XCXTTWSNJDTTCJ-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(OC(F)(F)F)ccc3OC)C2)C1=O ZINC001144003868 900873269 /nfs/dbraw/zinc/87/32/69/900873269.db2.gz XXNNJSLQYGKSQZ-IBGZPJMESA-N 1 0 398.425 3.594 20 30 GHEDRO C[C@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCOC2(CCC2)C1 ZINC000886343420 900942344 /nfs/dbraw/zinc/94/23/44/900942344.db2.gz XHVLMEZPEONJBP-NRFANRHFSA-N 1 0 379.508 3.688 20 30 GHEDRO C#CCC1([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CCOCC1 ZINC000886379328 900967357 /nfs/dbraw/zinc/96/73/57/900967357.db2.gz XEVOSSYHJPIBET-UHFFFAOYSA-N 1 0 388.309 3.605 20 30 GHEDRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000069786738 901126642 /nfs/dbraw/zinc/12/66/42/901126642.db2.gz KDSSHOSFFCQVQL-UHFFFAOYSA-N 1 0 379.508 3.856 20 30 GHEDRO CC1CC[NH+]([C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)c2ccccc2)CC1 ZINC000575203891 901157430 /nfs/dbraw/zinc/15/74/30/901157430.db2.gz HKTCAXMEWOCOMS-FQEVSTJZSA-N 1 0 379.464 3.934 20 30 GHEDRO C#CCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C1CC[NH+](C)CC1 ZINC000886585172 901178511 /nfs/dbraw/zinc/17/85/11/901178511.db2.gz LIASZOCDQANGBP-UHFFFAOYSA-N 1 0 382.529 3.902 20 30 GHEDRO C=C(Br)CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844793480 901271555 /nfs/dbraw/zinc/27/15/55/901271555.db2.gz YAXYZPJJBQJJMU-UHFFFAOYSA-N 1 0 384.343 3.905 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000886927706 901330805 /nfs/dbraw/zinc/33/08/05/901330805.db2.gz TUNFWJVJYGEDKB-NRFANRHFSA-N 1 0 395.532 3.603 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000575988835 901559284 /nfs/dbraw/zinc/55/92/84/901559284.db2.gz GCZOGLMJAVNPHB-UHOSZYNNSA-N 1 0 375.900 3.556 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121775555 901673861 /nfs/dbraw/zinc/67/38/61/901673861.db2.gz YEKPWFKDSNQKFW-QUCCMNQESA-N 1 0 381.476 3.848 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@H+]2CCCc2ccc(Br)cc2)C1=O ZINC001275528789 914562331 /nfs/dbraw/zinc/56/23/31/914562331.db2.gz USKOOFDVFHPAIG-IBGZPJMESA-N 1 0 377.326 3.635 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)c1 ZINC001144356208 901885637 /nfs/dbraw/zinc/88/56/37/901885637.db2.gz IMDCPZDIXGZVCX-GOSISDBHSA-N 1 0 391.393 3.938 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171167414 901893813 /nfs/dbraw/zinc/89/38/13/901893813.db2.gz YVXIMEDNVOTOMT-AWEZNQCLSA-N 1 0 376.460 3.580 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124176062 902032692 /nfs/dbraw/zinc/03/26/92/902032692.db2.gz HWUMWEKIIGDMQY-FQEVSTJZSA-N 1 0 392.551 3.734 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1OC ZINC001144407946 902039708 /nfs/dbraw/zinc/03/97/08/902039708.db2.gz PWZRWNPYZXFWIK-UHFFFAOYSA-N 1 0 393.531 3.963 20 30 GHEDRO [NH2+]=C(Nc1c(Br)ccc2nccn21)c1ccc2cc(O)ccc2c1 ZINC001171186552 902194922 /nfs/dbraw/zinc/19/49/22/902194922.db2.gz UQLAPSMDAQGREF-UHFFFAOYSA-N 1 0 381.233 3.993 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001171186706 902195994 /nfs/dbraw/zinc/19/59/94/902195994.db2.gz YOHXNCHUEJHIAD-YJBOKZPZSA-N 1 0 393.478 3.971 20 30 GHEDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001144488266 902262950 /nfs/dbraw/zinc/26/29/50/902262950.db2.gz XEWUITXRRUCVRA-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO COC(=O)c1cccc(CN2CCC([NH2+][C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171195111 902282763 /nfs/dbraw/zinc/28/27/63/902282763.db2.gz OSACMSIOVPCILJ-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](O)COc3ccccc3)c2)c1 ZINC000047700701 902298623 /nfs/dbraw/zinc/29/86/23/902298623.db2.gz IMFGFARBVUONOA-QFIPXVFZSA-N 1 0 388.467 3.667 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)ccc1OC1CCOCC1 ZINC001171198747 902376998 /nfs/dbraw/zinc/37/69/98/902376998.db2.gz PIBJRAWLGZKXFS-KRWDZBQOSA-N 1 0 380.488 3.845 20 30 GHEDRO C#Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C(F)(F)F)C2)cc1 ZINC001144568350 902398839 /nfs/dbraw/zinc/39/88/39/902398839.db2.gz RMYLSXJVOUOCLK-YLJYHZDGSA-N 1 0 394.437 3.899 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@@H+](C2CCC2)C1 ZINC000577049842 902466626 /nfs/dbraw/zinc/46/66/26/902466626.db2.gz JTOYBXSAQHLFNK-KRWDZBQOSA-N 1 0 393.487 3.677 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000127741392 902544386 /nfs/dbraw/zinc/54/43/86/902544386.db2.gz OUEULBSTBDHSQC-HXUWFJFHSA-N 1 0 389.499 3.695 20 30 GHEDRO COc1cc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1C#N ZINC000577314609 902672905 /nfs/dbraw/zinc/67/29/05/902672905.db2.gz OVBNYNRHARIFMV-UHFFFAOYSA-N 1 0 392.503 3.552 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001171215661 902750215 /nfs/dbraw/zinc/75/02/15/902750215.db2.gz CNMVVVAUMPMDFH-RZFNWQHOSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001171217142 902754626 /nfs/dbraw/zinc/75/46/26/902754626.db2.gz NZOAUUUNMOFEOW-AIZKBTNYSA-N 1 0 377.488 3.585 20 30 GHEDRO C=CC1CC[NH+](CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000600679945 902816723 /nfs/dbraw/zinc/81/67/23/902816723.db2.gz LIPGNBVYEMEOEQ-UHFFFAOYSA-N 1 0 394.515 3.788 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001171218772 902821961 /nfs/dbraw/zinc/82/19/61/902821961.db2.gz WTFFITWWYPNLPW-FGSBKAERSA-N 1 0 388.515 3.531 20 30 GHEDRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CCC3)cc1 ZINC000600725412 902847743 /nfs/dbraw/zinc/84/77/43/902847743.db2.gz JKEOFUXEZKWBCF-DOTOQJQBSA-N 1 0 383.517 3.840 20 30 GHEDRO COc1ccc2ccccc2c1-c1cc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)on1 ZINC000600733326 902856645 /nfs/dbraw/zinc/85/66/45/902856645.db2.gz YTWTZQNYMMYFCY-INIZCTEOSA-N 1 0 377.444 3.648 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCc3c(CC#N)cccc3C2)cc1 ZINC000600784307 902909955 /nfs/dbraw/zinc/90/99/55/902909955.db2.gz FVJRUXXGWZBCBO-UHFFFAOYSA-N 1 0 391.515 3.672 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(C(F)(F)F)n1 ZINC000130741480 903015906 /nfs/dbraw/zinc/01/59/06/903015906.db2.gz GEDNXRWHYVARTA-UHFFFAOYSA-N 1 0 388.397 3.506 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CN3CCc4ccccc43)CC2)CC1 ZINC000600875668 903035768 /nfs/dbraw/zinc/03/57/68/903035768.db2.gz WIJMEGODWPDRST-UHFFFAOYSA-N 1 0 396.579 3.511 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846612476 903090702 /nfs/dbraw/zinc/09/07/02/903090702.db2.gz VMFOSXWEYJXTFV-OAQYLSRUSA-N 1 0 384.524 3.610 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000264553569 903194981 /nfs/dbraw/zinc/19/49/81/903194981.db2.gz KLWYNOFQUFGBQX-GOSISDBHSA-N 1 0 396.466 3.762 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC000846856912 903275457 /nfs/dbraw/zinc/27/54/57/903275457.db2.gz FFRKSBGCYKNEMF-XLIONFOSSA-N 1 0 382.451 3.544 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(CC(F)(F)F)cc3)C2=O)cc1 ZINC000601118025 903352337 /nfs/dbraw/zinc/35/23/37/903352337.db2.gz DCRGZZXZBGTFAW-LJQANCHMSA-N 1 0 387.405 3.554 20 30 GHEDRO N#CC1(Nc2cccc(OC(F)(F)F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001171274393 903465660 /nfs/dbraw/zinc/46/56/60/903465660.db2.gz FIGHLXSEDPJZEF-UHFFFAOYSA-N 1 0 376.382 3.950 20 30 GHEDRO CC(C)(C)c1nc2c(ncnc2NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001171275032 903479370 /nfs/dbraw/zinc/47/93/70/903479370.db2.gz NAYQQBKWCANGKF-UHFFFAOYSA-N 1 0 389.507 3.621 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000264994573 903542692 /nfs/dbraw/zinc/54/26/92/903542692.db2.gz XRDSKYDOVVUVNH-LJQANCHMSA-N 1 0 392.478 3.544 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779070899 903844601 /nfs/dbraw/zinc/84/46/01/903844601.db2.gz KFYJSPQYVCQUGD-FUHWJXTLSA-N 1 0 396.466 3.760 20 30 GHEDRO CC(C)n1c(Sc2nc(C(F)(F)F)ccc2C#N)nnc1C1CC[NH2+]CC1 ZINC000265386424 903857733 /nfs/dbraw/zinc/85/77/33/903857733.db2.gz FARFVQFYNTYBFP-UHFFFAOYSA-N 1 0 396.442 3.763 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2sc3ccc(C#N)cc3c2C)[C@@H](C)C1 ZINC000578558028 903959182 /nfs/dbraw/zinc/95/91/82/903959182.db2.gz XZZDRPQUNNVZHE-HNAYVOBHSA-N 1 0 399.560 3.948 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000772986448 903971296 /nfs/dbraw/zinc/97/12/96/903971296.db2.gz WBEZUJHFYOIWHV-XEXOPBTESA-N 1 0 385.464 3.731 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])c1 ZINC000579115206 904356710 /nfs/dbraw/zinc/35/67/10/904356710.db2.gz KEHCCROKMZDROQ-UHFFFAOYSA-N 1 0 390.487 3.955 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171394852 904491172 /nfs/dbraw/zinc/49/11/72/904491172.db2.gz VILQTHPZJLQWJL-CQSZACIVSA-N 1 0 395.260 3.727 20 30 GHEDRO COc1ccc(C2(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)CCOCC2)cc1 ZINC000104179412 904548426 /nfs/dbraw/zinc/54/84/26/904548426.db2.gz WJCKQKZQNJRSJJ-UHFFFAOYSA-N 1 0 397.519 3.957 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c(C(F)(F)F)c1 ZINC000579412628 904577542 /nfs/dbraw/zinc/57/75/42/904577542.db2.gz XNXWTXOLCKTERA-HXUWFJFHSA-N 1 0 389.421 3.740 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4CCc5c(F)cccc5C4)C3)CC2=O)c1 ZINC001171433313 904617999 /nfs/dbraw/zinc/61/79/99/904617999.db2.gz LKMPTNLSJHBZSO-YADARESESA-N 1 0 389.474 3.684 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN([C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001171754986 904987826 /nfs/dbraw/zinc/98/78/26/904987826.db2.gz KYTAKHPVIFNAPW-MZURWIMNSA-N 1 0 384.564 3.723 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1Cc1ccccc1 ZINC001171734651 905017157 /nfs/dbraw/zinc/01/71/57/905017157.db2.gz PNAJNWMDPBCAHZ-CPJSRVTESA-N 1 0 388.559 3.775 20 30 GHEDRO C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](Cc2ccccc2)C1 ZINC001171735567 905019304 /nfs/dbraw/zinc/01/93/04/905019304.db2.gz UYBISCXNTVABIM-HXUWFJFHSA-N 1 0 388.433 3.795 20 30 GHEDRO CC[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(F)cn2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817706 905033407 /nfs/dbraw/zinc/03/34/07/905033407.db2.gz HITYKLULITUBFB-PHZGNYQRSA-N 1 0 378.492 3.883 20 30 GHEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876871 905081400 /nfs/dbraw/zinc/08/14/00/905081400.db2.gz IXXNKWWZUCMLLG-NRFANRHFSA-N 1 0 386.499 3.882 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090931 905313083 /nfs/dbraw/zinc/31/30/83/905313083.db2.gz XXBGVNJVZAFPAC-GPJHCHHRSA-N 1 0 397.563 3.949 20 30 GHEDRO COc1cc(NC(=O)CC[N@H+](C)Cc2cccc(C#N)c2)c(OC)cc1Cl ZINC000174724665 905331876 /nfs/dbraw/zinc/33/18/76/905331876.db2.gz MGYJKDQIOOFFRS-UHFFFAOYSA-N 1 0 387.867 3.689 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4C)cc(C#N)c21 ZINC001172118634 905376242 /nfs/dbraw/zinc/37/62/42/905376242.db2.gz SQQSDUKBWDXLQM-NUXXPKPISA-N 1 0 378.520 3.709 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4CSc5ccccc5C4)C3)CC2=O)c1 ZINC001172206799 905404146 /nfs/dbraw/zinc/40/41/46/905404146.db2.gz YCLKFDWIIYRKFD-NFBKMPQASA-N 1 0 389.524 3.704 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001172304027 905456532 /nfs/dbraw/zinc/45/65/32/905456532.db2.gz JWQGQAKGSMEZBV-WDJPJFJCSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001172303346 905457499 /nfs/dbraw/zinc/45/74/99/905457499.db2.gz CDZVVBKWJXOIBP-ZFJSRUIDSA-N 1 0 391.515 3.834 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001172303051 905457634 /nfs/dbraw/zinc/45/76/34/905457634.db2.gz AKGUFKDXRKNCBL-WDJPJFJCSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(C(=O)c3ccco3)C2)CC1 ZINC001172304762 905458894 /nfs/dbraw/zinc/45/88/94/905458894.db2.gz PNFZISXQALHBOG-GOSISDBHSA-N 1 0 377.488 3.711 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001172304471 905459088 /nfs/dbraw/zinc/45/90/88/905459088.db2.gz NFILZVORBDJZQI-PXNSSMCTSA-N 1 0 395.478 3.726 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001172304735 905459202 /nfs/dbraw/zinc/45/92/02/905459202.db2.gz NUGIWXOWRPKNKP-CQSZACIVSA-N 1 0 389.425 3.557 20 30 GHEDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172307509 905463362 /nfs/dbraw/zinc/46/33/62/905463362.db2.gz HNMQUZDWQHRTPH-IWMITWMQSA-N 1 0 394.544 3.520 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001172309013 905465176 /nfs/dbraw/zinc/46/51/76/905465176.db2.gz QGNQCGHPRMVGJR-LWZKNFMGSA-N 1 0 391.515 3.723 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001172308505 905465198 /nfs/dbraw/zinc/46/51/98/905465198.db2.gz NREVBQDVPMZPML-GOSISDBHSA-N 1 0 387.487 3.566 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001172308644 905465287 /nfs/dbraw/zinc/46/52/87/905465287.db2.gz OXKLAIWOSFNBGU-CJXUKZFBSA-N 1 0 397.544 3.642 20 30 GHEDRO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)C[C@@H]1C ZINC001172373053 905486015 /nfs/dbraw/zinc/48/60/15/905486015.db2.gz KLCQOOWWBBORGV-SQVLJLFZSA-N 1 0 382.552 3.697 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001172355244 905525224 /nfs/dbraw/zinc/52/52/24/905525224.db2.gz AKTDKYYGLHWHHE-YSFYHYPLSA-N 1 0 394.600 3.900 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]CC[C@H]1CCOC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172481225 905557833 /nfs/dbraw/zinc/55/78/33/905557833.db2.gz RBOIRMPWIPCDTI-MSOLQXFVSA-N 1 0 379.545 3.855 20 30 GHEDRO CC(C)OCC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001172451646 905570642 /nfs/dbraw/zinc/57/06/42/905570642.db2.gz SEKOGHKTULYKNN-NZQKXSOJSA-N 1 0 385.552 3.681 20 30 GHEDRO C[C@H](CCCC#N)N([C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1)S(C)(=O)=O ZINC001172493826 905596117 /nfs/dbraw/zinc/59/61/17/905596117.db2.gz WBGWCWMYOBBLGK-DUXKGJEZSA-N 1 0 385.533 3.772 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC2(CC1)c1ccc(Br)cc1NC2=O ZINC001172497139 905597538 /nfs/dbraw/zinc/59/75/38/905597538.db2.gz YPMVERJORXITTN-CYBMUJFWSA-N 1 0 376.298 3.817 20 30 GHEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001172508794 905604101 /nfs/dbraw/zinc/60/41/01/905604101.db2.gz OIFFBOQMIBMBJI-HXUWFJFHSA-N 1 0 395.613 3.935 20 30 GHEDRO C=C[C@@H](CO)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2C)C1 ZINC001172606136 905665756 /nfs/dbraw/zinc/66/57/56/905665756.db2.gz QCHKQTUJIHLPNL-LNLFQRSKSA-N 1 0 378.488 3.711 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172630893 905693308 /nfs/dbraw/zinc/69/33/08/905693308.db2.gz CRBYNZTZROHLSP-MSOLQXFVSA-N 1 0 381.561 3.617 20 30 GHEDRO C#CC1([NH2+][C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2)CC1 ZINC001172685135 905736796 /nfs/dbraw/zinc/73/67/96/905736796.db2.gz UJFRVMMMCCYOFC-FQEVSTJZSA-N 1 0 394.540 3.651 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000176499326 905856323 /nfs/dbraw/zinc/85/63/23/905856323.db2.gz XFYXGNOXHADFMY-NRFANRHFSA-N 1 0 397.519 3.565 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176650789 905906890 /nfs/dbraw/zinc/90/68/90/905906890.db2.gz SISZBNDNLLYNMT-UHFFFAOYSA-N 1 0 393.531 3.541 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2Br)C[C@H]1C#N ZINC001172969994 906031551 /nfs/dbraw/zinc/03/15/51/906031551.db2.gz ZXKADHGXZICFSN-CABCVRRESA-N 1 0 394.313 3.830 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)ccc1F ZINC001172977358 906042758 /nfs/dbraw/zinc/04/27/58/906042758.db2.gz BFNYLRJTAJVLOC-IMJJTQAJSA-N 1 0 377.460 3.777 20 30 GHEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172977662 906043938 /nfs/dbraw/zinc/04/39/38/906043938.db2.gz DLJLOONSMVIXBD-ZMYBRWDISA-N 1 0 386.496 3.587 20 30 GHEDRO COc1cccc(CC2(C[NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CC2)c1 ZINC001172977612 906044077 /nfs/dbraw/zinc/04/40/77/906044077.db2.gz HOBBUUJGDGVMOG-MOPGFXCFSA-N 1 0 399.535 3.899 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)C[C@H]1C#N ZINC001172983471 906049634 /nfs/dbraw/zinc/04/96/34/906049634.db2.gz GCMWIPIYMBNCAC-LNLFQRSKSA-N 1 0 389.471 3.570 20 30 GHEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)C1 ZINC000628405012 906097462 /nfs/dbraw/zinc/09/74/62/906097462.db2.gz BCVMNFLFVKLMSW-LJQANCHMSA-N 1 0 386.536 3.875 20 30 GHEDRO COc1cccc([C@@H]2CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)c1 ZINC001172990916 906101482 /nfs/dbraw/zinc/10/14/82/906101482.db2.gz SHTDQDPAWPGQSR-QYZOEREBSA-N 1 0 385.508 3.776 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(C)ccc1OC ZINC000190603506 906169885 /nfs/dbraw/zinc/16/98/85/906169885.db2.gz KXTOLZBBDXLSMR-SFTDATJTSA-N 1 0 377.488 3.717 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCOc2cccc(C#N)c2)c1F ZINC001173182183 906263565 /nfs/dbraw/zinc/26/35/65/906263565.db2.gz ITVCUGSMUPEZAQ-AWEZNQCLSA-N 1 0 387.411 3.604 20 30 GHEDRO CCSC[C@H](C)NC(=[NH2+])c1nn(Cc2ccc(OC)cc2)c2ccccc21 ZINC001173301188 906358761 /nfs/dbraw/zinc/35/87/61/906358761.db2.gz JPPKYHCBQAZHSC-HNNXBMFYSA-N 1 0 382.533 3.940 20 30 GHEDRO CCCCCCCC[C@H](CCC)[N@@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001173309881 906361730 /nfs/dbraw/zinc/36/17/30/906361730.db2.gz MXYRUTZNTFPIJA-FCHUYYIVSA-N 1 0 382.589 3.855 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001173323982 906372617 /nfs/dbraw/zinc/37/26/17/906372617.db2.gz KKHFKRXIPZAYDM-UPSGKMMVSA-N 1 0 386.536 3.845 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC001173325625 906374286 /nfs/dbraw/zinc/37/42/86/906374286.db2.gz NXNSXXCDQHUQAZ-UHFFFAOYSA-N 1 0 377.550 3.783 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)COCC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173330821 906375355 /nfs/dbraw/zinc/37/53/55/906375355.db2.gz FIDNKVFQQLKVRX-OBFZPWGMSA-N 1 0 391.556 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CC[NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173333891 906377707 /nfs/dbraw/zinc/37/77/07/906377707.db2.gz RXQFKSZMXJPATR-JCYILVPMSA-N 1 0 395.544 3.674 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccsc2)CCO3)CC1 ZINC001173334171 906378394 /nfs/dbraw/zinc/37/83/94/906378394.db2.gz VOAKULDGMNAGPV-IZIJYRQQSA-N 1 0 387.549 3.574 20 30 GHEDRO Cc1nc(CN2C(=O)CCC23CC[NH+](C2CCC(CC#N)CC2)CC3)cs1 ZINC001173335943 906378979 /nfs/dbraw/zinc/37/89/79/906378979.db2.gz ICOANXSCWCORTL-UHFFFAOYSA-N 1 0 386.565 3.881 20 30 GHEDRO N#CCc1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000178816416 906388962 /nfs/dbraw/zinc/38/89/62/906388962.db2.gz VGPZTRNLCGTHRR-OAQYLSRUSA-N 1 0 385.471 3.648 20 30 GHEDRO C=CCOC1CCC(n2cc(Br)ccc2=NCCCC[NH3+])CC1 ZINC001173316926 906389567 /nfs/dbraw/zinc/38/95/67/906389567.db2.gz OREXFAXYGRFDAN-UHFFFAOYSA-N 1 0 382.346 3.577 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC1 ZINC001173320444 906391447 /nfs/dbraw/zinc/39/14/47/906391447.db2.gz NPUJTOQIWLPDOK-IMQCZEGASA-N 1 0 380.532 3.901 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC001173387623 906416249 /nfs/dbraw/zinc/41/62/49/906416249.db2.gz ZFWGWOIATHEVJI-BRWVUGGUSA-N 1 0 380.529 3.738 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](c3ccccc3)c3ccncc3)CC2)cc1 ZINC001173421723 906455939 /nfs/dbraw/zinc/45/59/39/906455939.db2.gz BIJMUZNBEKIDIX-DEOSSOPVSA-N 1 0 396.494 3.937 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 ZINC001173428889 906464968 /nfs/dbraw/zinc/46/49/68/906464968.db2.gz MYBLBLLZGDISNS-QAQDUYKDSA-N 1 0 379.426 3.874 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)cc1 ZINC001173433953 906470358 /nfs/dbraw/zinc/47/03/58/906470358.db2.gz BIUDMAAABQZKLV-OAQYLSRUSA-N 1 0 389.499 3.661 20 30 GHEDRO CC1(C#N)CCC([NH+]2CCC(n3cc(I)cn3)CC2)CC1 ZINC001173599970 906552223 /nfs/dbraw/zinc/55/22/23/906552223.db2.gz UPMHHNHTLZRLOC-UHFFFAOYSA-N 1 0 398.292 3.597 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)C1 ZINC001173659093 906595077 /nfs/dbraw/zinc/59/50/77/906595077.db2.gz TXHWBGTZHMITEB-AEFFLSMTSA-N 1 0 386.492 3.532 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[C@@H](CC(=O)OCC)C3)C2)CC1 ZINC001173639832 906624286 /nfs/dbraw/zinc/62/42/86/906624286.db2.gz ISNZEEZUQKKQCK-MOPGFXCFSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[C@@H](CC(=O)OCC)C3)C2)CC1 ZINC001173639835 906625491 /nfs/dbraw/zinc/62/54/91/906625491.db2.gz ISNZEEZUQKKQCK-RTBURBONSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[C@@H](CC(=O)OCC)C1)CC2 ZINC001173640825 906626219 /nfs/dbraw/zinc/62/62/19/906626219.db2.gz MTJBGBIDRPHZGP-RTBURBONSA-N 1 0 392.540 3.609 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001173708345 906658381 /nfs/dbraw/zinc/65/83/81/906658381.db2.gz HCBNLWIYKLDUNE-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180075315 906681798 /nfs/dbraw/zinc/68/17/98/906681798.db2.gz VKXKPUJUICXARQ-UYAOXDASSA-N 1 0 392.503 3.664 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001173729077 906695127 /nfs/dbraw/zinc/69/51/27/906695127.db2.gz HZRHGUVVGDBFND-LAUBAEHRSA-N 1 0 378.472 3.819 20 30 GHEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173779754 906705109 /nfs/dbraw/zinc/70/51/09/906705109.db2.gz UXNKOZCJCQPAJU-FFGGFLGDSA-N 1 0 375.875 3.850 20 30 GHEDRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000779395614 906705356 /nfs/dbraw/zinc/70/53/56/906705356.db2.gz USYSGVIQAXKKOI-DLBZAZTESA-N 1 0 382.476 3.748 20 30 GHEDRO CO[C@H](C)C(=O)Nc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000180282966 906736946 /nfs/dbraw/zinc/73/69/46/906736946.db2.gz WBYWJXZHMNXXQV-QGZVFWFLSA-N 1 0 392.503 3.608 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(SCC(F)(F)F)cc1 ZINC000180872234 906866788 /nfs/dbraw/zinc/86/67/88/906866788.db2.gz ZQAJBBFNQIAINL-ICDILTBESA-N 1 0 399.438 3.518 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181208661 906945322 /nfs/dbraw/zinc/94/53/22/906945322.db2.gz HIWKUMFQKUJSMG-DNVCBOLYSA-N 1 0 383.879 3.908 20 30 GHEDRO C=CCNc1ncc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000181455176 907004971 /nfs/dbraw/zinc/00/49/71/907004971.db2.gz KXOSOHUBLFZVMK-UHFFFAOYSA-N 1 0 385.537 3.515 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181677325 907055164 /nfs/dbraw/zinc/05/51/64/907055164.db2.gz QKXFVACVLHQHNG-LJQANCHMSA-N 1 0 393.531 3.899 20 30 GHEDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(C#N)o2)NC(=O)OC(C)(C)C)cc1 ZINC000773411099 907224125 /nfs/dbraw/zinc/22/41/25/907224125.db2.gz YXCPQVHJEIPWPO-IBGZPJMESA-N 1 0 384.480 3.573 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000182540338 907225663 /nfs/dbraw/zinc/22/56/63/907225663.db2.gz KDVSNWGRNLKUBR-HNNXBMFYSA-N 1 0 398.894 3.896 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000182540356 907225683 /nfs/dbraw/zinc/22/56/83/907225683.db2.gz KDVSNWGRNLKUBR-OAHLLOKOSA-N 1 0 398.894 3.896 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(Br)c(F)c3C#N)cc2)CC1 ZINC001174813248 907244120 /nfs/dbraw/zinc/24/41/20/907244120.db2.gz DPARVVICNNEGHV-UHFFFAOYSA-N 1 0 389.272 3.955 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(-n2cncn2)cc1 ZINC000191819938 907263733 /nfs/dbraw/zinc/26/37/33/907263733.db2.gz OMXRYADKFMFMFQ-CYBMUJFWSA-N 1 0 382.265 3.752 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C)c2C)c1C#N ZINC000183390514 907380826 /nfs/dbraw/zinc/38/08/26/907380826.db2.gz VCJJQCNDMWKAIN-OAHLLOKOSA-N 1 0 396.539 3.813 20 30 GHEDRO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001175419701 907541896 /nfs/dbraw/zinc/54/18/96/907541896.db2.gz XMTJNBYBTAJQGK-FQEVSTJZSA-N 1 0 399.857 3.696 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(OC4CCCC4)c3)C2=O)cc1 ZINC000192244186 907557889 /nfs/dbraw/zinc/55/78/89/907557889.db2.gz HNRQSXQRQALTGJ-QHCPKHFHSA-N 1 0 389.499 3.770 20 30 GHEDRO CCCCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192244411 907565724 /nfs/dbraw/zinc/56/57/24/907565724.db2.gz NSJVLXBQJQVQNS-QFIPXVFZSA-N 1 0 377.488 3.628 20 30 GHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184346380 907566683 /nfs/dbraw/zinc/56/66/83/907566683.db2.gz YTFVTXKXEIPJKS-ODXCJYRJSA-N 1 0 386.496 3.717 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000184354690 907568350 /nfs/dbraw/zinc/56/83/50/907568350.db2.gz HNAMIRNHINGOCW-OALUTQOASA-N 1 0 384.524 3.953 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCCC)CC1 ZINC000777406394 907597903 /nfs/dbraw/zinc/59/79/03/907597903.db2.gz CPFMBOCXMFONFH-UHFFFAOYSA-N 1 0 389.521 3.705 20 30 GHEDRO N#Cc1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)ccc1Br ZINC001176382798 908061478 /nfs/dbraw/zinc/06/14/78/908061478.db2.gz JSCJAHYWFJUAHB-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000773631431 908486846 /nfs/dbraw/zinc/48/68/46/908486846.db2.gz WXAJOKTWXHNQPU-UHFFFAOYSA-N 1 0 385.508 3.660 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(Cl)c1Br ZINC000191730682 908665601 /nfs/dbraw/zinc/66/56/01/908665601.db2.gz ANXVCVORLADOFU-UHFFFAOYSA-N 1 0 387.709 3.802 20 30 GHEDRO C=C(C[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001177687803 908709955 /nfs/dbraw/zinc/70/99/55/908709955.db2.gz IMQXVEJUUFDYBB-IBGZPJMESA-N 1 0 397.523 3.653 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@H](C#N)Cc2cccs2)CC1 ZINC001177911950 908798118 /nfs/dbraw/zinc/79/81/18/908798118.db2.gz KBMMFWDKAAKYSG-KRWDZBQOSA-N 1 0 385.508 3.692 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000192745554 908820821 /nfs/dbraw/zinc/82/08/21/908820821.db2.gz ZROZNHUIZRWDNN-RIFZZMRRSA-N 1 0 381.476 3.853 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001178008527 908846130 /nfs/dbraw/zinc/84/61/30/908846130.db2.gz QTXMOXASKBMGLE-SFHVURJKSA-N 1 0 377.479 3.586 20 30 GHEDRO N#Cc1cccc(COc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)c1 ZINC000195353008 909002287 /nfs/dbraw/zinc/00/22/87/909002287.db2.gz YOBYDAHJECWXOT-UHFFFAOYSA-N 1 0 375.472 3.950 20 30 GHEDRO N#Cc1cc(NC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)ccc1O ZINC001178591034 909114286 /nfs/dbraw/zinc/11/42/86/909114286.db2.gz MUUPNQXJAVVHQR-UHFFFAOYSA-N 1 0 383.451 3.924 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3OCC#N)cc2)C1 ZINC000266670057 909252999 /nfs/dbraw/zinc/25/29/99/909252999.db2.gz VIJVSQRRVLBMHF-QGZVFWFLSA-N 1 0 379.460 3.562 20 30 GHEDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)CC2)cs1 ZINC000267722883 909603704 /nfs/dbraw/zinc/60/37/04/909603704.db2.gz MAOOVDJOZYLOPO-IAGOWNOFSA-N 1 0 384.549 3.991 20 30 GHEDRO C=CCn1c(-c2cccnc2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1=S ZINC000245444538 909648824 /nfs/dbraw/zinc/64/88/24/909648824.db2.gz JSGVSHOUWBEALX-MOPGFXCFSA-N 1 0 398.580 3.567 20 30 GHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)ccc2NC1=O ZINC000245450101 909654211 /nfs/dbraw/zinc/65/42/11/909654211.db2.gz OHRNAINRPKRWEO-SIFCLUCFSA-N 1 0 379.460 3.938 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000795335088 909963991 /nfs/dbraw/zinc/96/39/91/909963991.db2.gz UJCLOMMJBOCNCP-WBVHZDCISA-N 1 0 377.513 3.660 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC000245975574 910031764 /nfs/dbraw/zinc/03/17/64/910031764.db2.gz GCNBDJRJTSTFKG-LEWJYISDSA-N 1 0 378.497 3.889 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000269587884 910312202 /nfs/dbraw/zinc/31/22/02/910312202.db2.gz CGXYWCDPKTWQAO-IRXDYDNUSA-N 1 0 377.492 3.539 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 ZINC000270105477 910442002 /nfs/dbraw/zinc/44/20/02/910442002.db2.gz HWVXKTYHLHASFQ-GWQKEKGPSA-N 1 0 383.439 3.608 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1OCCCC#N ZINC000270173769 910469588 /nfs/dbraw/zinc/46/95/88/910469588.db2.gz VWQMUINVPMDSHF-JWIGPWBQSA-N 1 0 386.517 3.966 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246729267 910556900 /nfs/dbraw/zinc/55/69/00/910556900.db2.gz MRTIRPQKYPSJMC-QZTJIDSGSA-N 1 0 387.499 3.956 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000270729403 910679497 /nfs/dbraw/zinc/67/94/97/910679497.db2.gz AJGLHGXGYKEOSH-GOSISDBHSA-N 1 0 391.515 3.940 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000271163083 910800256 /nfs/dbraw/zinc/80/02/56/910800256.db2.gz JIIBMYUYPVUHHQ-UHFFFAOYSA-N 1 0 385.471 3.799 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246983496 910829296 /nfs/dbraw/zinc/82/92/96/910829296.db2.gz WAMJHNUZJDHEPA-NQERJWCQSA-N 1 0 381.451 3.612 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000366492710 921650462 /nfs/dbraw/zinc/65/04/62/921650462.db2.gz VMFRDSDSXBYCJV-UZLBHIALSA-N 1 0 375.538 3.768 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC001182219113 911310388 /nfs/dbraw/zinc/31/03/88/911310388.db2.gz VGWZGBGRGWCTIE-QFIPXVFZSA-N 1 0 390.483 3.686 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC001182343898 911515754 /nfs/dbraw/zinc/51/57/54/911515754.db2.gz HXYISUOJJUFDIC-IBGZPJMESA-N 1 0 388.309 3.552 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000092480579 911564738 /nfs/dbraw/zinc/56/47/38/911564738.db2.gz YZKFPWKLBABIQF-UHFFFAOYSA-N 1 0 377.488 3.875 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000801956093 921682386 /nfs/dbraw/zinc/68/23/86/921682386.db2.gz UFSWTGXYWJSVBP-TZIWHRDSSA-N 1 0 389.421 3.931 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000774397865 911710879 /nfs/dbraw/zinc/71/08/79/911710879.db2.gz UPUIIKMRKAMTTK-ZFWWWQNUSA-N 1 0 378.394 3.508 20 30 GHEDRO Cc1cccc(N(C(=O)[C@H](C)c2ccc(C#N)cc2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001182792750 912025803 /nfs/dbraw/zinc/02/58/03/912025803.db2.gz UNTXRAYOAHQPAK-IHLLOCCUSA-N 1 0 389.499 3.524 20 30 GHEDRO CC#CCCCCCCCC(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001182769691 912037058 /nfs/dbraw/zinc/03/70/58/912037058.db2.gz QBVOUQGENIRMQM-UHFFFAOYSA-N 1 0 386.540 3.633 20 30 GHEDRO N#Cc1ccc(OCC(=O)N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)cc1 ZINC001182920339 912104015 /nfs/dbraw/zinc/10/40/15/912104015.db2.gz NBBLDMHREGKFCZ-ZYFYDLNSSA-N 1 0 389.499 3.592 20 30 GHEDRO CCCCN1CC2(CCC1=O)CC[NH+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001275014766 912148732 /nfs/dbraw/zinc/14/87/32/912148732.db2.gz PULXHTPESMMUPE-UHFFFAOYSA-N 1 0 394.972 3.860 20 30 GHEDRO C#Cc1cc(NC(=O)C[C@H]2C[N@H+](C(c3ccccc3)c3ccccc3)[C@H]2C)ccn1 ZINC001186933652 914880575 /nfs/dbraw/zinc/88/05/75/914880575.db2.gz DFWWFJHQAFBYJU-UGKGYDQZSA-N 1 0 395.506 3.923 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000303786593 915113792 /nfs/dbraw/zinc/11/37/92/915113792.db2.gz DPOJELSBIWXVKR-UHFFFAOYSA-N 1 0 375.266 3.840 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000303787216 915129500 /nfs/dbraw/zinc/12/95/00/915129500.db2.gz SHEXKTODLYYWRK-NRFANRHFSA-N 1 0 384.499 3.749 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCn2cnc3ccccc32)c1 ZINC000303791300 915130866 /nfs/dbraw/zinc/13/08/66/915130866.db2.gz XHPZSUBVEHGVQL-UHFFFAOYSA-N 1 0 381.480 3.651 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(OCc3ccccn3)c2)c1 ZINC000303882745 915296417 /nfs/dbraw/zinc/29/64/17/915296417.db2.gz IKJNXUQKVIWDQD-UHFFFAOYSA-N 1 0 392.459 3.605 20 30 GHEDRO CCOc1ccc(C2(CNC(=[NH+]Cc3ccccc3)N(C)C)CCOCC2)cc1 ZINC000303891434 915299729 /nfs/dbraw/zinc/29/97/29/915299729.db2.gz QQWZHKMUJALTEP-UHFFFAOYSA-N 1 0 395.547 3.841 20 30 GHEDRO CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)c1 ZINC000303899894 915303572 /nfs/dbraw/zinc/30/35/72/915303572.db2.gz RVLPKJUTMBPMHT-INIZCTEOSA-N 1 0 382.508 3.929 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303969042 915342442 /nfs/dbraw/zinc/34/24/42/915342442.db2.gz BISVDJRTUIDXKU-HNNXBMFYSA-N 1 0 376.957 3.683 20 30 GHEDRO COc1ccc(COCCCNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)cc1 ZINC000303972545 915342923 /nfs/dbraw/zinc/34/29/23/915342923.db2.gz FYEIDYPSWLRBKT-UHFFFAOYSA-N 1 0 377.872 3.691 20 30 GHEDRO [NH2+]=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N[C@@H]1CCOc2ccccc21 ZINC000304489503 915525091 /nfs/dbraw/zinc/52/50/91/915525091.db2.gz MYCJTYKFIJYANG-LJQANCHMSA-N 1 0 392.434 3.941 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)Oc2ccccc2Br)cc1 ZINC000304720010 915635775 /nfs/dbraw/zinc/63/57/75/915635775.db2.gz OGNHQSDNWFIXMK-LBPRGKRZSA-N 1 0 378.270 3.652 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC000304759396 915674102 /nfs/dbraw/zinc/67/41/02/915674102.db2.gz RDARCLYPYWJQIQ-KRWDZBQOSA-N 1 0 378.517 3.750 20 30 GHEDRO CC(C)C[C@H](C)Oc1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)ccn1 ZINC000304764157 915700248 /nfs/dbraw/zinc/70/02/48/915700248.db2.gz XSRUHYZOOCVXAY-LPHOPBHVSA-N 1 0 382.508 3.823 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2F)c1 ZINC000304780553 915700904 /nfs/dbraw/zinc/70/09/04/915700904.db2.gz FWTWSCSLUVGTDL-CQSZACIVSA-N 1 0 375.444 3.817 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000304998927 915818961 /nfs/dbraw/zinc/81/89/61/915818961.db2.gz AUCAVSZPNXQODA-AEFFLSMTSA-N 1 0 385.508 3.765 20 30 GHEDRO Cn1cc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c(-c2ccc(C#N)cc2)n1 ZINC000292875648 915884625 /nfs/dbraw/zinc/88/46/25/915884625.db2.gz DOEIGRCPEHLXJC-UHFFFAOYSA-N 1 0 385.393 3.705 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)c(O[C@H]2CCOC2)c1 ZINC000305073202 915885197 /nfs/dbraw/zinc/88/51/97/915885197.db2.gz ULVZNJUKNIAVOH-FQEVSTJZSA-N 1 0 383.492 3.877 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1 ZINC000293015375 915949649 /nfs/dbraw/zinc/94/96/49/915949649.db2.gz HKJDCGPXLZEIDX-UHFFFAOYSA-N 1 0 387.524 3.993 20 30 GHEDRO CCN(CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C(=O)OC(C)(C)C ZINC000305239716 916012030 /nfs/dbraw/zinc/01/20/30/916012030.db2.gz QGGLSMWJKOHXCX-UHFFFAOYSA-N 1 0 390.406 3.569 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000360277651 916041335 /nfs/dbraw/zinc/04/13/35/916041335.db2.gz BLDYUIZTXOMINI-UHFFFAOYSA-N 1 0 380.473 3.969 20 30 GHEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000775183570 916082713 /nfs/dbraw/zinc/08/27/13/916082713.db2.gz OUGYYYMSHFMVSU-OAHLLOKOSA-N 1 0 386.879 3.820 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c1 ZINC001189096499 916401585 /nfs/dbraw/zinc/40/15/85/916401585.db2.gz SUWFKEYDLXQLMH-XTRIYOEBSA-N 1 0 389.499 3.835 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)N(c2ccncc2F)C2CC[NH2+]CC2)cc1 ZINC001189169982 916468366 /nfs/dbraw/zinc/46/83/66/916468366.db2.gz POBQGMLNZRYRLM-UHFFFAOYSA-N 1 0 395.554 3.848 20 30 GHEDRO N#CC1(NC(=O)c2ccc3ncsc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000361070795 916484359 /nfs/dbraw/zinc/48/43/59/916484359.db2.gz YKOFJVXBLNYFGX-UHFFFAOYSA-N 1 0 376.485 3.584 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000305844836 916502150 /nfs/dbraw/zinc/50/21/50/916502150.db2.gz ICUJWIKCMRDZDF-UHFFFAOYSA-N 1 0 380.492 3.797 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCc1cccc(Br)c1 ZINC001275752734 916891699 /nfs/dbraw/zinc/89/16/99/916891699.db2.gz XTVNRXSHVXFEAH-LJQANCHMSA-N 1 0 377.326 3.635 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@]1(C#N)CC13CCCC3)c1ccccc1O2 ZINC000294624067 916896075 /nfs/dbraw/zinc/89/60/75/916896075.db2.gz WRNHGVYRUVBPBL-JPYJTQIMSA-N 1 0 379.504 3.565 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@]1(C#N)CC13CCCC3)c1ccccc1O2 ZINC000294624076 916897143 /nfs/dbraw/zinc/89/71/43/916897143.db2.gz WRNHGVYRUVBPBL-WZONZLPQSA-N 1 0 379.504 3.565 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN2CCc2ccccc2Br)C1=O ZINC001275758012 916948267 /nfs/dbraw/zinc/94/82/67/916948267.db2.gz XQDVZWOBIAAGPN-LJQANCHMSA-N 1 0 377.326 3.635 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC)C2)ccc1OC ZINC000775348847 917110996 /nfs/dbraw/zinc/11/09/96/917110996.db2.gz YUOIZVMEKCCZCD-SJLPKXTDSA-N 1 0 376.497 3.607 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+](C)C)cc1 ZINC000295091748 917136307 /nfs/dbraw/zinc/13/63/07/917136307.db2.gz ZZDAUHKBNSMNMY-KRWDZBQOSA-N 1 0 375.444 3.591 20 30 GHEDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000295281679 917248511 /nfs/dbraw/zinc/24/85/11/917248511.db2.gz BKKMJMUSLIQKKK-CQSZACIVSA-N 1 0 385.537 3.784 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N(CCC)CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000775398700 917438813 /nfs/dbraw/zinc/43/88/13/917438813.db2.gz KVASHKAGPLYORP-QFIPXVFZSA-N 1 0 391.515 3.526 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1ccccc1 ZINC000775400001 917442703 /nfs/dbraw/zinc/44/27/03/917442703.db2.gz LGCBQDFMFCNEIQ-HNAYVOBHSA-N 1 0 385.305 3.981 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000775403382 917507703 /nfs/dbraw/zinc/50/77/03/917507703.db2.gz HKNKUTJWRLLWKK-TZIWHRDSSA-N 1 0 375.497 3.703 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000775421762 917646368 /nfs/dbraw/zinc/64/63/68/917646368.db2.gz KIKIJCRCRGJIAX-KSFYIVLOSA-N 1 0 386.455 3.590 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(F)c(F)c1 ZINC000652180618 917829905 /nfs/dbraw/zinc/82/99/05/917829905.db2.gz ZYIIOPGEZHKNKJ-FIYPYCPBSA-N 1 0 393.478 3.510 20 30 GHEDRO C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001191289459 917899345 /nfs/dbraw/zinc/89/93/45/917899345.db2.gz MQLXJXCDRNCHPM-KRWDZBQOSA-N 1 0 381.907 3.530 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 ZINC000775462653 918039611 /nfs/dbraw/zinc/03/96/11/918039611.db2.gz BRNZJAHTGATCRZ-QGZVFWFLSA-N 1 0 397.544 3.961 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3Br)C2)C1=O ZINC001275902482 919427241 /nfs/dbraw/zinc/42/72/41/919427241.db2.gz DYKFPIDNXPOTBR-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO CCn1c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc2cc(F)ccc21 ZINC000116736610 919517000 /nfs/dbraw/zinc/51/70/00/919517000.db2.gz IWJKQPUCEZKCNA-UHFFFAOYSA-N 1 0 391.494 3.775 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000283592302 919626992 /nfs/dbraw/zinc/62/69/92/919626992.db2.gz LVZHYHMZRAQXRL-UHFFFAOYSA-N 1 0 397.426 3.629 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3c(F)cccc3Br)C2)C1=O ZINC001275948608 920057440 /nfs/dbraw/zinc/05/74/40/920057440.db2.gz HUGZQXSUSSWRRX-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000365142955 920427940 /nfs/dbraw/zinc/42/79/40/920427940.db2.gz UMTKXFQJCXXXBT-OAQYLSRUSA-N 1 0 388.519 3.888 20 30 GHEDRO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000365142951 920428077 /nfs/dbraw/zinc/42/80/77/920428077.db2.gz UMTKXFQJCXXXBT-NRFANRHFSA-N 1 0 388.519 3.888 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)c(C)c3)CC2)C1=O ZINC001275977731 920632854 /nfs/dbraw/zinc/63/28/54/920632854.db2.gz PJPWESDPMLPCTH-HXUWFJFHSA-N 1 0 389.337 3.595 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000367577008 922212312 /nfs/dbraw/zinc/21/23/12/922212312.db2.gz BIMMBIOBEUNTKS-UHFFFAOYSA-N 1 0 376.932 3.934 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000368060097 922455574 /nfs/dbraw/zinc/45/55/74/922455574.db2.gz UEKUVYFKAWCWLN-MOPGFXCFSA-N 1 0 379.907 3.914 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1COc2ccccc2C1 ZINC000903042606 922724427 /nfs/dbraw/zinc/72/44/27/922724427.db2.gz FMHDZXWJIXXKPW-XMSQKQJNSA-N 1 0 375.516 3.752 20 30 GHEDRO C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369470712 923359432 /nfs/dbraw/zinc/35/94/32/923359432.db2.gz WRLQWLAIPKCUFV-KYJSFNMBSA-N 1 0 396.457 3.889 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCSC1 ZINC000748648639 923762267 /nfs/dbraw/zinc/76/22/67/923762267.db2.gz YHSWQDLPDYLMAL-IFMALSPDSA-N 1 0 394.544 3.901 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)/C=C/c2ccccc2C#N)ccc1OC ZINC000748655116 923764810 /nfs/dbraw/zinc/76/48/10/923764810.db2.gz QPWMTMIGUGYKNH-JLHYYAGUSA-N 1 0 393.487 3.939 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)s2)cc1 ZINC000371438739 924582085 /nfs/dbraw/zinc/58/20/85/924582085.db2.gz LLEOYVRMWFXSCL-SFHVURJKSA-N 1 0 395.532 3.698 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(-n4ccnn4)cc3)CC2)cc1Cl ZINC001137368094 925063405 /nfs/dbraw/zinc/06/34/05/925063405.db2.gz CSYFYTHKPNANLT-UHFFFAOYSA-N 1 0 393.878 3.836 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)C(C)C ZINC000410126014 925332759 /nfs/dbraw/zinc/33/27/59/925332759.db2.gz UDNCSUHXXKGELH-CEMLEFRQSA-N 1 0 385.552 3.857 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000372368456 925367022 /nfs/dbraw/zinc/36/70/22/925367022.db2.gz JJOKNARMVQZCNA-QFIPXVFZSA-N 1 0 377.488 3.614 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)CC1CC[NH+](C)CC1 ZINC000680357048 925453418 /nfs/dbraw/zinc/45/34/18/925453418.db2.gz PKSXDFHUAKVTKX-UHFFFAOYSA-N 1 0 383.305 3.835 20 30 GHEDRO CC(C)(C)c1nc(CN2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cs1 ZINC000410324185 925534773 /nfs/dbraw/zinc/53/47/73/925534773.db2.gz AZLBQNGUGCAAES-UHFFFAOYSA-N 1 0 390.597 3.659 20 30 GHEDRO C=CCN1CC[C@H]([N@H+](C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)C1=O ZINC000410376541 925583696 /nfs/dbraw/zinc/58/36/96/925583696.db2.gz UVNNCMAGIQXRBO-NRFANRHFSA-N 1 0 384.499 3.647 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CCOCC1 ZINC000410422057 925633338 /nfs/dbraw/zinc/63/33/38/925633338.db2.gz UYJDYJKECNCCQH-FQEVSTJZSA-N 1 0 384.524 3.763 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(F)c(Br)cc3F)CC2)C1=O ZINC001276120614 925732925 /nfs/dbraw/zinc/73/29/25/925732925.db2.gz CSTNYZGWOLDUEG-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO C#C[C@@H](NCc1csc(COc2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000827571244 925822808 /nfs/dbraw/zinc/82/28/08/925822808.db2.gz XSHSTTQUGPMNGI-GOSISDBHSA-N 1 0 376.909 3.894 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)cc1Cl ZINC001276131125 925844754 /nfs/dbraw/zinc/84/47/54/925844754.db2.gz VVVSBIWXALGRNY-HXUWFJFHSA-N 1 0 375.900 3.609 20 30 GHEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000373077585 925846444 /nfs/dbraw/zinc/84/64/44/925846444.db2.gz JTNOURWSCSFBEC-LJQANCHMSA-N 1 0 379.508 3.525 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)cc1 ZINC000373395023 926079400 /nfs/dbraw/zinc/07/94/00/926079400.db2.gz POXYQKYUDKVAJI-QFIPXVFZSA-N 1 0 391.515 3.817 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373424700 926108796 /nfs/dbraw/zinc/10/87/96/926108796.db2.gz BZRGHHCUZSFAGX-JCYILVPMSA-N 1 0 391.478 3.879 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000411163464 926147070 /nfs/dbraw/zinc/14/70/70/926147070.db2.gz FPXHAQCJGLFVOR-MRXNPFEDSA-N 1 0 379.460 3.569 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001276381874 926368334 /nfs/dbraw/zinc/36/83/34/926368334.db2.gz IKUJNRDXBLFHHY-HUUCEWRRSA-N 1 0 388.817 3.990 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3ccccn3)sc2C1 ZINC000411426742 926376657 /nfs/dbraw/zinc/37/66/57/926376657.db2.gz YWSDFSWDTWFWAF-HNNXBMFYSA-N 1 0 382.533 3.643 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@]3(C)CCCO)sc2C1 ZINC000411433580 926389085 /nfs/dbraw/zinc/38/90/85/926389085.db2.gz APGVAQVHDSZPTC-YCRPNKLZSA-N 1 0 389.565 3.700 20 30 GHEDRO CCC[N@H+](CC1CCCCC1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000725769160 926431733 /nfs/dbraw/zinc/43/17/33/926431733.db2.gz GSHQUUPNSUXBEW-QFIPXVFZSA-N 1 0 382.508 3.575 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCC[C@@H]1C ZINC000411627229 926569973 /nfs/dbraw/zinc/56/99/73/926569973.db2.gz PFFSUXPKGOFZGI-YOEHRIQHSA-N 1 0 375.538 3.574 20 30 GHEDRO C#Cc1cccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c1 ZINC000726277767 926617323 /nfs/dbraw/zinc/61/73/23/926617323.db2.gz DYKUPARJEYBZTJ-QGZVFWFLSA-N 1 0 394.494 3.832 20 30 GHEDRO C#Cc1cccc(NC(=S)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000726439599 926664356 /nfs/dbraw/zinc/66/43/56/926664356.db2.gz DQSWRULQZDFZSC-OAQYLSRUSA-N 1 0 379.529 3.800 20 30 GHEDRO CC(C)CC[N@H+](CN1CC(=O)N(Cc2ccccc2C#N)C1=O)C1CCCC1 ZINC000726589058 926745873 /nfs/dbraw/zinc/74/58/73/926745873.db2.gz IELWATQUIXQNGK-UHFFFAOYSA-N 1 0 382.508 3.571 20 30 GHEDRO N#CCOc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374096287 926754335 /nfs/dbraw/zinc/75/43/35/926754335.db2.gz XPUIVGMSCGHOIN-XMMPIXPASA-N 1 0 389.499 3.717 20 30 GHEDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccccc1C#N)c1cc(Cl)cc(Cl)c1 ZINC000411797638 926793431 /nfs/dbraw/zinc/79/34/31/926793431.db2.gz ICHVEIDOUWGWCZ-LJQANCHMSA-N 1 0 392.286 3.691 20 30 GHEDRO Fc1ccc(CC[NH+]2CCC(N=Nc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000726737564 926823600 /nfs/dbraw/zinc/82/36/00/926823600.db2.gz ABLGQULFAYRFRW-UHFFFAOYSA-N 1 0 379.439 3.982 20 30 GHEDRO CC(=[NH+]NCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 ZINC000726739752 926825878 /nfs/dbraw/zinc/82/58/78/926825878.db2.gz IFBLNTFZGWNUNJ-UHFFFAOYSA-N 1 0 388.309 3.800 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC000411967704 926959473 /nfs/dbraw/zinc/95/94/73/926959473.db2.gz NELTZORCIIEUON-XZOQPEGZSA-N 1 0 391.515 3.699 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000374548880 927269417 /nfs/dbraw/zinc/26/94/17/927269417.db2.gz IXQLVIIASOGMFT-CQSZACIVSA-N 1 0 375.398 3.889 20 30 GHEDRO Cc1cc(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c(C)n1-c1ccccc1 ZINC000750447607 927641903 /nfs/dbraw/zinc/64/19/03/927641903.db2.gz AMQMANWGXYUMHJ-QHCPKHFHSA-N 1 0 389.499 3.538 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(Cl)n1 ZINC000375085267 927893279 /nfs/dbraw/zinc/89/32/79/927893279.db2.gz QTTKNXSHJVCGOO-KRWDZBQOSA-N 1 0 382.895 3.591 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000467122835 928726053 /nfs/dbraw/zinc/72/60/53/928726053.db2.gz RPAFIVINAMWXJS-GOSISDBHSA-N 1 0 386.540 3.779 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)C ZINC000752317542 928753278 /nfs/dbraw/zinc/75/32/78/928753278.db2.gz AJDQKOBWMIJTOX-LJQANCHMSA-N 1 0 393.535 3.523 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000752361354 928795087 /nfs/dbraw/zinc/79/50/87/928795087.db2.gz WODUXSBGCXDDDD-AYOQOUSVSA-N 1 0 378.501 3.584 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000752361359 928795124 /nfs/dbraw/zinc/79/51/24/928795124.db2.gz WODUXSBGCXDDDD-MNEFBYGVSA-N 1 0 378.501 3.584 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000467263230 928887667 /nfs/dbraw/zinc/88/76/67/928887667.db2.gz QZXOVQLYSJHXJZ-UHFFFAOYSA-N 1 0 387.487 3.514 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1cc(C#N)ccc1F ZINC000753002066 929148863 /nfs/dbraw/zinc/14/88/63/929148863.db2.gz DGEVZVWBCLDTPE-UHFFFAOYSA-N 1 0 388.409 3.503 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000544535947 929267549 /nfs/dbraw/zinc/26/75/49/929267549.db2.gz RZOWRPAKTZNKJR-ZWKOTPCHSA-N 1 0 392.503 3.888 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000467718088 929333072 /nfs/dbraw/zinc/33/30/72/929333072.db2.gz KVUUWQIHMUIIHA-IIBYNOLFSA-N 1 0 375.472 3.872 20 30 GHEDRO CCc1nnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1CC ZINC000467792798 929427209 /nfs/dbraw/zinc/42/72/09/929427209.db2.gz LFIBEZQUOHHGST-DEOSSOPVSA-N 1 0 389.547 3.966 20 30 GHEDRO CC[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000544760106 929545908 /nfs/dbraw/zinc/54/59/08/929545908.db2.gz ZXXDFAAOKNAOLS-OAQYLSRUSA-N 1 0 387.487 3.705 20 30 GHEDRO COc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)ccc1OCc1cccs1 ZINC000753932928 929599777 /nfs/dbraw/zinc/59/97/77/929599777.db2.gz BNORATQMWOMJNW-IRXDYDNUSA-N 1 0 384.505 3.530 20 30 GHEDRO Clc1ccc(OCc2nc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cs2)cc1 ZINC000753935300 929599848 /nfs/dbraw/zinc/59/98/48/929599848.db2.gz NJVPFTAMYFWCKB-HOTGVXAUSA-N 1 0 389.912 3.569 20 30 GHEDRO FC(F)(F)c1cc(Br)cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000758120421 929931173 /nfs/dbraw/zinc/93/11/73/929931173.db2.gz QYQBYQXBSXVXBX-BETUJISGSA-N 1 0 389.219 3.662 20 30 GHEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000469601400 930019117 /nfs/dbraw/zinc/01/91/17/930019117.db2.gz VBVFGNCDTPSZLX-HOTGVXAUSA-N 1 0 389.927 3.554 20 30 GHEDRO C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C(C)(C)C[NH+](C)C ZINC000469716136 930106322 /nfs/dbraw/zinc/10/63/22/930106322.db2.gz CWJPRAPQJXKIGT-AWEZNQCLSA-N 1 0 385.537 3.703 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000470014625 930316467 /nfs/dbraw/zinc/31/64/67/930316467.db2.gz DAVRGQCAJXKFQZ-CVEARBPZSA-N 1 0 395.341 3.739 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000546717224 930377228 /nfs/dbraw/zinc/37/72/28/930377228.db2.gz GLMRUEHHODXCPF-KRWDZBQOSA-N 1 0 382.430 3.643 20 30 GHEDRO CC(C)(C)C1CCC(C#N)(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000470188112 930441896 /nfs/dbraw/zinc/44/18/96/930441896.db2.gz MMPIRTRUBPXZSI-UHFFFAOYSA-N 1 0 375.557 3.636 20 30 GHEDRO CC[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000780674111 930574022 /nfs/dbraw/zinc/57/40/22/930574022.db2.gz JSHARKKPUVZPEU-FXAWDEMLSA-N 1 0 392.503 3.936 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000470604950 930745450 /nfs/dbraw/zinc/74/54/50/930745450.db2.gz CSBISEMGRXVRQQ-UHFFFAOYSA-N 1 0 386.418 3.695 20 30 GHEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000471005268 931090096 /nfs/dbraw/zinc/09/00/96/931090096.db2.gz GCFWJQWLBWABHX-FCHUYYIVSA-N 1 0 383.923 3.516 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000471034974 931108683 /nfs/dbraw/zinc/10/86/83/931108683.db2.gz WVWFWTOTIQYYNT-OAQYLSRUSA-N 1 0 380.488 3.708 20 30 GHEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)c1ccsc1 ZINC000557519449 931515155 /nfs/dbraw/zinc/51/51/55/931515155.db2.gz MJYGNVHYVPTZGT-CQSZACIVSA-N 1 0 376.407 3.722 20 30 GHEDRO CCOCOc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000783392067 931534120 /nfs/dbraw/zinc/53/41/20/931534120.db2.gz CNUGJQNAMPVTET-UHFFFAOYSA-N 1 0 379.504 3.639 20 30 GHEDRO Cc1ccc(CC[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000925026174 931617578 /nfs/dbraw/zinc/61/75/78/931617578.db2.gz DHPHRWVYJMGLQE-SFHVURJKSA-N 1 0 386.540 3.842 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000925037211 931620432 /nfs/dbraw/zinc/62/04/32/931620432.db2.gz KXQGMTVQZJYFEU-UHFFFAOYSA-N 1 0 384.524 3.521 20 30 GHEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925272163 931726426 /nfs/dbraw/zinc/72/64/26/931726426.db2.gz SEIVDUZRYBPZGH-KURKYZTESA-N 1 0 379.545 3.711 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(=O)OCC)cc1)[n+]1cccc(C)c1 ZINC000783959005 931731597 /nfs/dbraw/zinc/73/15/97/931731597.db2.gz NKANWNJUHWBNJC-UHFFFAOYSA-O 1 0 397.520 3.836 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)C[C@@H]2CC=CCC2)c1=S ZINC000784008011 931753447 /nfs/dbraw/zinc/75/34/47/931753447.db2.gz GXJRSTPXGSLEGR-LJQANCHMSA-N 1 0 389.613 3.874 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@H](NC(C)=O)c2ccccc2F)c1 ZINC000925419301 931777203 /nfs/dbraw/zinc/77/72/03/931777203.db2.gz OHDSVIGWEOZLAC-REDKUUPNSA-N 1 0 383.467 3.862 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2)cc1 ZINC000925985582 931990364 /nfs/dbraw/zinc/99/03/64/931990364.db2.gz ORPMHZIKVNWPDV-IAGOWNOFSA-N 1 0 390.365 3.704 20 30 GHEDRO C[NH2+]CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C(C)C ZINC000926005650 931999730 /nfs/dbraw/zinc/99/97/30/931999730.db2.gz WAVARLOPUWUMIL-UHFFFAOYSA-N 1 0 382.464 3.821 20 30 GHEDRO O=C(NCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)C1N=CC=CC1=O ZINC000796815167 932077589 /nfs/dbraw/zinc/07/75/89/932077589.db2.gz BOMLIGCNEBOGJK-ZEYQEJGOSA-N 1 0 387.911 3.872 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)ccc1OC ZINC000796824534 932080230 /nfs/dbraw/zinc/08/02/30/932080230.db2.gz HZUQLLOMOZLZJD-SJLPKXTDSA-N 1 0 391.475 3.808 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCC1 ZINC000796937991 932115145 /nfs/dbraw/zinc/11/51/45/932115145.db2.gz RZHPRMYNYISHEZ-UHFFFAOYSA-N 1 0 384.524 3.564 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000797113323 932187630 /nfs/dbraw/zinc/18/76/30/932187630.db2.gz LSRAPWJXNIDBBS-WMLDXEAASA-N 1 0 392.849 3.732 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926549333 932225330 /nfs/dbraw/zinc/22/53/30/932225330.db2.gz KDIWIQVTOYJPSA-RCCFBDPRSA-N 1 0 379.545 3.853 20 30 GHEDRO COC1CC(CC[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000926674041 932268420 /nfs/dbraw/zinc/26/84/20/932268420.db2.gz AEKSGJCOGYKRNM-AOCRQIFASA-N 1 0 379.545 3.711 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000558977152 932349766 /nfs/dbraw/zinc/34/97/66/932349766.db2.gz IDXOMKXLZBMYJV-IBGZPJMESA-N 1 0 395.551 3.842 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000558994803 932361129 /nfs/dbraw/zinc/36/11/29/932361129.db2.gz LBFJDPDUOVLOEU-UHFFFAOYSA-N 1 0 382.556 3.865 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799196768 932911331 /nfs/dbraw/zinc/91/13/31/932911331.db2.gz WUKOAFBGWYZWDM-VQTJNVASSA-N 1 0 376.504 3.823 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C#N ZINC000799338627 932956945 /nfs/dbraw/zinc/95/69/45/932956945.db2.gz VUYUWJZIAAJQBY-QGZVFWFLSA-N 1 0 387.430 3.927 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)CC1 ZINC000928389837 932961824 /nfs/dbraw/zinc/96/18/24/932961824.db2.gz UDJSKZJNECWMKU-INIZCTEOSA-N 1 0 378.438 3.544 20 30 GHEDRO N#CCOc1ccc(CC(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000799632272 933069882 /nfs/dbraw/zinc/06/98/82/933069882.db2.gz AYZYXTTZAWZUBW-OAQYLSRUSA-N 1 0 378.472 3.729 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1Cl ZINC000560184965 933118025 /nfs/dbraw/zinc/11/80/25/933118025.db2.gz UYFGFXUUWFJWRW-MOPGFXCFSA-N 1 0 375.900 3.539 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C(C)C ZINC000560358911 933220363 /nfs/dbraw/zinc/22/03/63/933220363.db2.gz JHRQEWCWAUUPHE-SFHVURJKSA-N 1 0 380.540 3.956 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000560494066 933289434 /nfs/dbraw/zinc/28/94/34/933289434.db2.gz VREJAPVVBWEQML-VSKRKVRLSA-N 1 0 380.513 3.600 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)cc(OC)c1O ZINC001116054814 933309074 /nfs/dbraw/zinc/30/90/74/933309074.db2.gz DGHXLYUVGFWPTG-HXUWFJFHSA-N 1 0 380.488 3.524 20 30 GHEDRO Cc1ccsc1[C@@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(Cl)cc1F ZINC000560585442 933362009 /nfs/dbraw/zinc/36/20/09/933362009.db2.gz SSRUVVVAEHIPTQ-INIZCTEOSA-N 1 0 375.860 3.691 20 30 GHEDRO CC[C@](C)(C#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000560621421 933396766 /nfs/dbraw/zinc/39/67/66/933396766.db2.gz OVFCZKWYYPPECC-XMMPIXPASA-N 1 0 390.531 3.930 20 30 GHEDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)[nH]1 ZINC000560661136 933426600 /nfs/dbraw/zinc/42/66/00/933426600.db2.gz RPDIAGLKYNQZHI-OAQYLSRUSA-N 1 0 387.487 3.943 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CC#Cc2ccccc2)CC1 ZINC001116269261 933447294 /nfs/dbraw/zinc/44/72/94/933447294.db2.gz ILJXCLNHJASIBU-LJQANCHMSA-N 1 0 393.506 3.587 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000560726311 933500599 /nfs/dbraw/zinc/50/05/99/933500599.db2.gz XOGQJOOLJOALSZ-LEWJYISDSA-N 1 0 379.529 3.752 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001116705108 933714412 /nfs/dbraw/zinc/71/44/12/933714412.db2.gz XOCCDTORLBMWOA-RUDSSYLZSA-N 1 0 395.934 3.927 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000560972637 933744867 /nfs/dbraw/zinc/74/48/67/933744867.db2.gz VZUUWMDSKLZVSB-YWZLYKJASA-N 1 0 394.475 3.894 20 30 GHEDRO CC[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000930201709 933889166 /nfs/dbraw/zinc/88/91/66/933889166.db2.gz SMTBDXDTUBIBPU-NRFANRHFSA-N 1 0 379.504 3.883 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCc2ccc(F)c(Br)c2)c1 ZINC001118086504 934088197 /nfs/dbraw/zinc/08/81/97/934088197.db2.gz VFYIYGNDWDBQQB-UHFFFAOYSA-N 1 0 390.256 3.621 20 30 GHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H](C)C1 ZINC000561760002 934428394 /nfs/dbraw/zinc/42/83/94/934428394.db2.gz FSIJACVSJUPSNX-CSODHUTKSA-N 1 0 390.487 3.548 20 30 GHEDRO COc1cc(C#N)ccc1OCCN[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000561961442 934587537 /nfs/dbraw/zinc/58/75/37/934587537.db2.gz GXCPMZVGAVKSEE-AWEZNQCLSA-N 1 0 396.422 3.794 20 30 GHEDRO Cn1c(N2CCC(C[NH+]3CCCCCC3)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001121373620 934641238 /nfs/dbraw/zinc/64/12/38/934641238.db2.gz KOLIGHBKFNPKET-HSZRJFAPSA-N 1 0 396.583 3.633 20 30 GHEDRO C=CCn1c(-c2sc(C)nc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001121606035 934713051 /nfs/dbraw/zinc/71/30/51/934713051.db2.gz RLMQUUZCHVJGFQ-AEFFLSMTSA-N 1 0 398.580 3.658 20 30 GHEDRO C=CCn1c(C[C@H](C)SC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001121656371 934728656 /nfs/dbraw/zinc/72/86/56/934728656.db2.gz QDQKHYHEGVCXLJ-KRWDZBQOSA-N 1 0 377.602 3.603 20 30 GHEDRO C=CCn1c(C[C@@H](C)SCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121656430 934729259 /nfs/dbraw/zinc/72/92/59/934729259.db2.gz RIODFVTUWSEYIM-QGZVFWFLSA-N 1 0 377.602 3.603 20 30 GHEDRO C=CCn1c([C@H](C)c2ccc(OC)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121678877 934735451 /nfs/dbraw/zinc/73/54/51/934735451.db2.gz AIVQSFPDYSTHFJ-QGZVFWFLSA-N 1 0 383.540 3.591 20 30 GHEDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932170486 934839546 /nfs/dbraw/zinc/83/95/46/934839546.db2.gz ZQVWPTQSNDXQJC-IRXDYDNUSA-N 1 0 378.476 3.503 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5c(s4)CCC5)C3)o2)cc1 ZINC000932194373 934846761 /nfs/dbraw/zinc/84/67/61/934846761.db2.gz RQAKKZASCVPJEZ-MRXNPFEDSA-N 1 0 391.500 3.933 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)C1CC(C)(C)C1 ZINC001122465581 934875955 /nfs/dbraw/zinc/87/59/55/934875955.db2.gz AHDFZVJBABHTSR-IBGZPJMESA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001122465558 934876254 /nfs/dbraw/zinc/87/62/54/934876254.db2.gz ABTSIPOIIBSONJ-HOJAQTOUSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCC[C@H]1CCCN1c1nnc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1CC1CC1 ZINC001123540886 935221001 /nfs/dbraw/zinc/22/10/01/935221001.db2.gz DMGDDIKZPGCKNN-FPOVZHCZSA-N 1 0 399.583 3.939 20 30 GHEDRO CN(c1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001125250564 935558273 /nfs/dbraw/zinc/55/82/73/935558273.db2.gz TVNKPMPCQLTPIV-JOCHJYFZSA-N 1 0 376.504 3.853 20 30 GHEDRO COc1ccc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c(C#N)c1 ZINC001137700869 935732068 /nfs/dbraw/zinc/73/20/68/935732068.db2.gz BXLMUPWZRJKHDR-UHFFFAOYSA-N 1 0 388.446 3.764 20 30 GHEDRO COc1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C#N)c1 ZINC001137703316 935733666 /nfs/dbraw/zinc/73/36/66/935733666.db2.gz JFWMBLJMDVGVKS-IEXUWNMDSA-N 1 0 390.531 3.694 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(C)cc1Br)CC2 ZINC001137803323 935797704 /nfs/dbraw/zinc/79/77/04/935797704.db2.gz ZDCXQOOYXQNULP-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000829649616 935838739 /nfs/dbraw/zinc/83/87/39/935838739.db2.gz DLRFXNNYSACOBN-CJNGLKHVSA-N 1 0 395.450 3.895 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1 ZINC001137904002 935857555 /nfs/dbraw/zinc/85/75/55/935857555.db2.gz GLBRXEWTYXSGSX-UHFFFAOYSA-N 1 0 388.515 3.770 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC3(CCOC3=O)CC2)cc1 ZINC001137904351 935857871 /nfs/dbraw/zinc/85/78/71/935857871.db2.gz ZXKTWWJAGDPICU-UHFFFAOYSA-N 1 0 375.472 3.855 20 30 GHEDRO C#CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000830343097 935933077 /nfs/dbraw/zinc/93/30/77/935933077.db2.gz MCVLZHZBCGLSTD-HNNXBMFYSA-N 1 0 381.501 3.673 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(OC(C)=O)c1)CC2 ZINC001138037467 935942078 /nfs/dbraw/zinc/94/20/78/935942078.db2.gz XTDUYODJSGQFQQ-UHFFFAOYSA-N 1 0 386.492 3.613 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1-c1nn[nH]n1 ZINC001573330029 947430215 /nfs/dbraw/zinc/43/02/15/947430215.db2.gz SISALCMNHUNXFE-BLLLJJGKSA-N 1 0 376.302 3.854 20 30 GHEDRO C=CC[N@H+](Cc1ccc(OCC2CC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573342452 947542124 /nfs/dbraw/zinc/54/21/24/947542124.db2.gz YTKYALQXXXPTSQ-UHFFFAOYSA-N 1 0 375.476 3.844 20 30 GHEDRO N#Cc1nc2ccc(OC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2s1 ZINC001226673083 1032069627 /nfs/dbraw/zinc/06/96/27/1032069627.db2.gz YBRUOXOMOULVCP-GOSISDBHSA-N 1 0 379.485 3.838 20 30 GHEDRO Cc1cc(NCc2ccc(C#N)cc2)c(C#N)c(NCc2ccc(C#N)cc2)n1 ZINC000589111689 1014725882 /nfs/dbraw/zinc/72/58/82/1014725882.db2.gz OQDKICNTOKGYQI-UHFFFAOYSA-N 1 0 378.439 3.651 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)CC#N ZINC001545674989 1014881996 /nfs/dbraw/zinc/88/19/96/1014881996.db2.gz PGQJLDBGSMBRKJ-OALUTQOASA-N 1 0 382.556 3.646 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC001626103538 1014887677 /nfs/dbraw/zinc/88/76/77/1014887677.db2.gz SGWLZUYCPOKKNM-UHFFFAOYSA-N 1 0 381.480 3.858 20 30 GHEDRO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545516490 1015978281 /nfs/dbraw/zinc/97/82/81/1015978281.db2.gz CBEFJMBQWYHYSQ-OAQYLSRUSA-N 1 0 379.504 3.542 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)ccc1OC1CCCC1 ZINC000468892515 1016177969 /nfs/dbraw/zinc/17/79/69/1016177969.db2.gz HBJMSJLFQXYQEJ-HZPDHXFCSA-N 1 0 385.508 3.618 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000468913707 1016209771 /nfs/dbraw/zinc/20/97/71/1016209771.db2.gz IXYWXGOVFDITFR-BTYIYWSLSA-N 1 0 393.462 3.942 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000468967275 1016284832 /nfs/dbraw/zinc/28/48/32/1016284832.db2.gz LEMPJTXTIGEJGV-KGLIPLIRSA-N 1 0 381.314 3.697 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000545869884 1016550933 /nfs/dbraw/zinc/55/09/33/1016550933.db2.gz PTAVDNOOHZVIDR-UHFFFAOYSA-N 1 0 379.435 3.871 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C#N)cc1OC)c1cccc(OC)c1 ZINC000547414360 1016916814 /nfs/dbraw/zinc/91/68/14/1016916814.db2.gz AFACWQCVOUXPBI-FQEVSTJZSA-N 1 0 396.491 3.780 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)N(C)CCc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC001221082607 1032273842 /nfs/dbraw/zinc/27/38/42/1032273842.db2.gz AAVMIRWAUHMJAL-QFIPXVFZSA-N 1 0 378.520 3.607 20 30 GHEDRO N#Cc1cccc(CCC(=O)N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)c1 ZINC001221205620 1032330574 /nfs/dbraw/zinc/33/05/74/1032330574.db2.gz ZPGGDQXFCSXGED-JOCHJYFZSA-N 1 0 379.479 3.877 20 30 GHEDRO CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)cc1 ZINC001221296026 1032364852 /nfs/dbraw/zinc/36/48/52/1032364852.db2.gz WOGNZDFHMGLQQF-IMRHEYAYSA-N 1 0 375.516 3.937 20 30 GHEDRO C#CCN(C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC[NH+](C)CC1 ZINC001227316994 1032371288 /nfs/dbraw/zinc/37/12/88/1032371288.db2.gz DTGDCEFMSBWTRS-SAABIXHNSA-N 1 0 393.453 3.690 20 30 GHEDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nc2ccc(C)cc2c(Cl)c1C#N ZINC001155236904 1032466795 /nfs/dbraw/zinc/46/67/95/1032466795.db2.gz OFWZJCMVJWWCJQ-KRWDZBQOSA-N 1 0 388.899 3.611 20 30 GHEDRO COc1c(Cl)cnc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1C#N ZINC001227556437 1032462718 /nfs/dbraw/zinc/46/27/18/1032462718.db2.gz FCFPJOOJCVEBPE-SZVBFZGTSA-N 1 0 383.879 3.905 20 30 GHEDRO COc1c(Cl)cnc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C#N ZINC001227556436 1032463015 /nfs/dbraw/zinc/46/30/15/1032463015.db2.gz FCFPJOOJCVEBPE-KVSKMBFKSA-N 1 0 383.879 3.905 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnc(C(F)(F)F)cc1Cl ZINC001277227919 1032498188 /nfs/dbraw/zinc/49/81/88/1032498188.db2.gz GVLGRDWHKZMFLN-HUUCEWRRSA-N 1 0 387.833 3.895 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)n1 ZINC001155431854 1032538956 /nfs/dbraw/zinc/53/89/56/1032538956.db2.gz YEYJZZBCRXARMH-INIZCTEOSA-N 1 0 399.951 3.632 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001221800293 1032539938 /nfs/dbraw/zinc/53/99/38/1032539938.db2.gz OYWYJMVNPYNHPB-OAQYLSRUSA-N 1 0 392.547 3.748 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C ZINC001227839524 1032639886 /nfs/dbraw/zinc/63/98/86/1032639886.db2.gz YJDROEVZJHUMMA-SJORKVTESA-N 1 0 381.442 3.627 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC(CC)([NH+]3CCC3)CC2)cc1OC ZINC001155713598 1032655363 /nfs/dbraw/zinc/65/53/63/1032655363.db2.gz KVCZHXKCUQOHNL-NTMALXAHSA-N 1 0 384.520 3.750 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000925621197 1017114910 /nfs/dbraw/zinc/11/49/10/1017114910.db2.gz FZKNPBUPCGTFPK-SJORKVTESA-N 1 0 379.545 3.853 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000558379669 1017184141 /nfs/dbraw/zinc/18/41/41/1017184141.db2.gz QBINFODSPUCGHE-UHFFFAOYSA-N 1 0 383.540 3.814 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)COc3c(Cl)cccc3Cl)CC2)c1 ZINC000560174559 1017564832 /nfs/dbraw/zinc/56/48/32/1017564832.db2.gz LISPHMIDHFGMMQ-HNNXBMFYSA-N 1 0 377.271 3.884 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000931089048 1017922106 /nfs/dbraw/zinc/92/21/06/1017922106.db2.gz PCLLRZFROGEESK-UHFFFAOYSA-N 1 0 386.503 3.745 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)cc1 ZINC001204299994 1032740446 /nfs/dbraw/zinc/74/04/46/1032740446.db2.gz IGQPEMCDMKWNRH-XMMPIXPASA-N 1 0 392.499 3.889 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCOC)[C@H]2CC)cc1 ZINC001204300472 1032741374 /nfs/dbraw/zinc/74/13/74/1032741374.db2.gz OBXLNLNSFZXOFU-GGAORHGYSA-N 1 0 386.536 3.633 20 30 GHEDRO N#CCCn1ncc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1-c1ccccc1 ZINC000562373034 1018129461 /nfs/dbraw/zinc/12/94/61/1018129461.db2.gz NUBVHYRKWNGVCP-UHFFFAOYSA-N 1 0 391.519 3.554 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001204303061 1032744486 /nfs/dbraw/zinc/74/44/86/1032744486.db2.gz YINHLGVYQALECQ-IBGZPJMESA-N 1 0 390.524 3.709 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC001155874387 1032754640 /nfs/dbraw/zinc/75/46/40/1032754640.db2.gz XQCHVFFXMSREDO-UHFFFAOYSA-N 1 0 382.891 3.746 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000562887191 1018757269 /nfs/dbraw/zinc/75/72/69/1018757269.db2.gz XALLEYVOOLPSBB-AUSIDOKSSA-N 1 0 388.515 3.919 20 30 GHEDRO Cc1nccn1CCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932951746 1018782610 /nfs/dbraw/zinc/78/26/10/1018782610.db2.gz ZJWYOQTZQPAUOB-GHMZBOCLSA-N 1 0 391.306 3.684 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccccc3C#N)CC2)c2cc(C)ccc21 ZINC001204370825 1032813896 /nfs/dbraw/zinc/81/38/96/1032813896.db2.gz MSVXFJOCGMQOCR-QFIPXVFZSA-N 1 0 388.515 3.774 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCCC2 ZINC000568643026 1019434589 /nfs/dbraw/zinc/43/45/89/1019434589.db2.gz LUNMRBHHGXWRIE-DNVCBOLYSA-N 1 0 379.529 3.950 20 30 GHEDRO N#Cc1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)ccc1OC(F)(F)F ZINC000570138537 1019561070 /nfs/dbraw/zinc/56/10/70/1019561070.db2.gz CGEJFTJWBMRJRZ-UHFFFAOYSA-N 1 0 382.386 3.595 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000573467078 1019831459 /nfs/dbraw/zinc/83/14/59/1019831459.db2.gz OIRCDWBVWRXXFB-NFBKMPQASA-N 1 0 391.490 3.753 20 30 GHEDRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000047011689 1019940099 /nfs/dbraw/zinc/94/00/99/1019940099.db2.gz JNMXRNRZBLMOOX-UHFFFAOYSA-N 1 0 399.922 3.743 20 30 GHEDRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576668807 1020050956 /nfs/dbraw/zinc/05/09/56/1020050956.db2.gz OVPDKLGDACFTKP-YLJYHZDGSA-N 1 0 397.544 3.820 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000778977007 1020104354 /nfs/dbraw/zinc/10/43/54/1020104354.db2.gz RQXZZXYDGKFKHI-GJZGRUSLSA-N 1 0 393.915 3.977 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000779148212 1020414145 /nfs/dbraw/zinc/41/41/45/1020414145.db2.gz ZGBDUAUGWYVCBD-MRXNPFEDSA-N 1 0 380.879 3.774 20 30 GHEDRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F ZINC000190608333 1020706824 /nfs/dbraw/zinc/70/68/24/1020706824.db2.gz AJXACDLWGJUMPW-AUUYWEPGSA-N 1 0 383.492 3.871 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000779356841 1020740513 /nfs/dbraw/zinc/74/05/13/1020740513.db2.gz IOVVHMFEPPMJDI-UYAOXDASSA-N 1 0 394.544 3.912 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192039491 1020842193 /nfs/dbraw/zinc/84/21/93/1020842193.db2.gz IDDFUHHRHLDZEW-LPHOPBHVSA-N 1 0 390.270 3.923 20 30 GHEDRO C=CCOc1ccc(C(=O)c2ccccc2)c(OC2CC[NH+](CCOC)CC2)c1 ZINC001228454771 1032942806 /nfs/dbraw/zinc/94/28/06/1032942806.db2.gz JVPFQEQPNYFAMW-UHFFFAOYSA-N 1 0 395.499 3.972 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001228452185 1032941981 /nfs/dbraw/zinc/94/19/81/1032941981.db2.gz ASBIHXMJZPHKSZ-KRWDZBQOSA-N 1 0 382.533 3.959 20 30 GHEDRO COC(=O)C1=C[C@H](Oc2ccc(/C=C/C(C)=O)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001228495213 1032957884 /nfs/dbraw/zinc/95/78/84/1032957884.db2.gz YQLCAVAAHKCGKD-YVSHKSEASA-N 1 0 391.467 3.651 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCc2nc3ccccc3[nH]2)c1 ZINC000303911581 1021147894 /nfs/dbraw/zinc/14/78/94/1021147894.db2.gz ZSLIKGIFOPZACX-UHFFFAOYSA-N 1 0 381.480 3.720 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCS(=O)(=O)CCc2ccccc2)CC1 ZINC000800502386 1021310424 /nfs/dbraw/zinc/31/04/24/1021310424.db2.gz BFBFIAIENGZMRH-UHFFFAOYSA-N 1 0 396.556 3.638 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000800783758 1021334624 /nfs/dbraw/zinc/33/46/24/1021334624.db2.gz KQEVDLQGBNLCIY-KRWDZBQOSA-N 1 0 376.508 3.518 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001140350984 1021471635 /nfs/dbraw/zinc/47/16/35/1021471635.db2.gz PLMQCFPLGRZDRN-UHFFFAOYSA-N 1 0 386.399 3.550 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc(C#N)c1 ZINC000902764507 1021533510 /nfs/dbraw/zinc/53/35/10/1021533510.db2.gz GIYIEVJKEFOFPQ-OAQYLSRUSA-N 1 0 385.533 3.627 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cnc(-c3ccccc3F)nc1)CC2 ZINC001140402516 1021571380 /nfs/dbraw/zinc/57/13/80/1021571380.db2.gz IYPBAJDJWFJRGX-UHFFFAOYSA-N 1 0 396.466 3.503 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)cc1 ZINC000834893228 1021635676 /nfs/dbraw/zinc/63/56/76/1021635676.db2.gz UITAECMNBJZRQC-SFHVURJKSA-N 1 0 375.472 3.862 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c2cc(C#N)ccc21 ZINC001140437590 1021705962 /nfs/dbraw/zinc/70/59/62/1021705962.db2.gz LOTQRSYSDPSECJ-MJGOQNOKSA-N 1 0 387.455 3.591 20 30 GHEDRO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000835063690 1021842325 /nfs/dbraw/zinc/84/23/25/1021842325.db2.gz PDYPUJCLCXGIAI-FQEVSTJZSA-N 1 0 377.488 3.834 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000835067730 1021849533 /nfs/dbraw/zinc/84/95/33/1021849533.db2.gz AVRLRIUONOPWCR-SFTDATJTSA-N 1 0 399.535 3.843 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1 ZINC001140599054 1022043199 /nfs/dbraw/zinc/04/31/99/1022043199.db2.gz OAQAMZQSTTZTHV-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001140620162 1022090665 /nfs/dbraw/zinc/09/06/65/1022090665.db2.gz DYXCILNMYULYPP-DEOSSOPVSA-N 1 0 391.515 3.691 20 30 GHEDRO COc1ccc(/C=C/C(=O)Nc2ccc(O[C@H](CC#N)C[N+](C)(C)C)cc2)cc1 ZINC001228685890 1033044147 /nfs/dbraw/zinc/04/41/47/1033044147.db2.gz NWLFXRTZGABZQF-LGQSSRTCSA-O 1 0 394.495 3.714 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1O ZINC000754107472 1022487881 /nfs/dbraw/zinc/48/78/81/1022487881.db2.gz WXNYNQFJCHNKMN-OALUTQOASA-N 1 0 383.879 3.759 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000754373326 1022651292 /nfs/dbraw/zinc/65/12/92/1022651292.db2.gz HTLBAWVYDUDWPG-HNAYVOBHSA-N 1 0 382.533 3.768 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000836274002 1022809604 /nfs/dbraw/zinc/80/96/04/1022809604.db2.gz FITHMDNQXWOERJ-UHFFFAOYSA-N 1 0 386.540 3.631 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000836283156 1022820366 /nfs/dbraw/zinc/82/03/66/1022820366.db2.gz XUIUWROCCKKZQF-OAHLLOKOSA-N 1 0 388.512 3.573 20 30 GHEDRO C=CCc1cc(C[N@@H+](Cc2ccc(C(=O)NC)cc2)C2CC2)c(O)c(OC)c1 ZINC000754724281 1022858335 /nfs/dbraw/zinc/85/83/35/1022858335.db2.gz TYXKVMYFCIZOPV-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](O)c2cccc3ccccc32)c(-c2ccncc2)n1 ZINC001203084116 1023064814 /nfs/dbraw/zinc/06/48/14/1023064814.db2.gz XGUBJWSSOBCYTI-QHCPKHFHSA-N 1 0 397.482 3.835 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3cccc(O)c3n1)[C@@H]2CC ZINC001141023142 1023238905 /nfs/dbraw/zinc/23/89/05/1023238905.db2.gz UAKZGZUQEDQBAB-OFNKIYASSA-N 1 0 379.504 3.862 20 30 GHEDRO Cn1ccnc1[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000756069800 1023508237 /nfs/dbraw/zinc/50/82/37/1023508237.db2.gz GEVOHKOASIGPPC-QGZVFWFLSA-N 1 0 391.500 3.719 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3sc(N)c(C#N)c3Cl)C2)C1 ZINC001141107153 1023515547 /nfs/dbraw/zinc/51/55/47/1023515547.db2.gz RBFGKBCULLIJCO-NSHDSACASA-N 1 0 396.944 3.544 20 30 GHEDRO CCN(Cc1sc(N)c(C#N)c1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141113222 1023529520 /nfs/dbraw/zinc/52/95/20/1023529520.db2.gz VSTQWTPUTSJIGV-LLVKDONJSA-N 1 0 384.933 3.687 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1C#N ZINC000756532960 1023701585 /nfs/dbraw/zinc/70/15/85/1023701585.db2.gz NHKQPIFYGWQPMN-OAQYLSRUSA-N 1 0 384.451 3.676 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1C#N ZINC000756760796 1023804311 /nfs/dbraw/zinc/80/43/11/1023804311.db2.gz ODFMNBJJGSKGFX-IFMALSPDSA-N 1 0 398.528 3.750 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1C#N ZINC000756760798 1023804407 /nfs/dbraw/zinc/80/44/07/1023804407.db2.gz ODFMNBJJGSKGFX-IRLDBZIGSA-N 1 0 398.528 3.750 20 30 GHEDRO C=CCOc1ccc(-c2noc(CCc3ccc4c(c3)CC[NH2+]C4)n2)c(F)c1 ZINC001204927043 1033170517 /nfs/dbraw/zinc/17/05/17/1033170517.db2.gz BNFLBDMOSSOKQJ-UHFFFAOYSA-N 1 0 379.435 3.871 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000837091268 1024015341 /nfs/dbraw/zinc/01/53/41/1024015341.db2.gz NVEXQDJKAQJBIA-UHFFFAOYSA-N 1 0 382.891 3.976 20 30 GHEDRO O=C1[C@H]([NH2+]CC#Cc2ccccc2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001204993820 1033200018 /nfs/dbraw/zinc/20/00/18/1033200018.db2.gz YUIWEKSINRORHH-HXUWFJFHSA-N 1 0 386.417 3.838 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1COC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000837540325 1024536147 /nfs/dbraw/zinc/53/61/47/1024536147.db2.gz VIRPQNAGWFVSLN-KRWDZBQOSA-N 1 0 397.406 3.561 20 30 GHEDRO CC1(C(=O)OCc2c(C#N)cccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000837645926 1024607856 /nfs/dbraw/zinc/60/78/56/1024607856.db2.gz HUONRMMLLIZXOF-UHFFFAOYSA-N 1 0 393.443 3.812 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1C ZINC000831713005 1024774500 /nfs/dbraw/zinc/77/45/00/1024774500.db2.gz LLJVILNGKIKJIX-YADHBBJMSA-N 1 0 395.547 3.831 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(OC)c(OC)cc3C)C2)C1 ZINC001138436115 1024845929 /nfs/dbraw/zinc/84/59/29/1024845929.db2.gz YMTZKNVBJIJCCI-QFIPXVFZSA-N 1 0 388.508 3.623 20 30 GHEDRO CN(Cc1ccc(-n2ccnc2)cc1)c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001156787808 1033241090 /nfs/dbraw/zinc/24/10/90/1033241090.db2.gz ACGVRTMCIYQXNI-UHFFFAOYSA-N 1 0 388.475 3.760 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)CC2)nc1 ZINC001138530280 1024971039 /nfs/dbraw/zinc/97/10/39/1024971039.db2.gz KSQFNFHEAKRLJA-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OC(F)F)c(OC)c1)CC2 ZINC001138551784 1025006358 /nfs/dbraw/zinc/00/63/58/1025006358.db2.gz MRRODTUFNZNUHS-UHFFFAOYSA-N 1 0 396.434 3.517 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001138560747 1025023638 /nfs/dbraw/zinc/02/36/38/1025023638.db2.gz LLVRAGXCBALRQU-HXUWFJFHSA-N 1 0 384.520 3.968 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)C2 ZINC001138573976 1025048982 /nfs/dbraw/zinc/04/89/82/1025048982.db2.gz VAMFXBDDZGICFU-UGKGYDQZSA-N 1 0 375.509 3.809 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)c1O ZINC001138626166 1025124258 /nfs/dbraw/zinc/12/42/58/1025124258.db2.gz CQGMDBQSNNJPEA-DEOSSOPVSA-N 1 0 391.515 3.673 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1O ZINC001138626523 1025125244 /nfs/dbraw/zinc/12/52/44/1025125244.db2.gz IGPPJTMJIRHOIN-UHFFFAOYSA-N 1 0 378.520 3.793 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1O ZINC001138629305 1025130582 /nfs/dbraw/zinc/13/05/82/1025130582.db2.gz UFOIZFSTPTZNTA-XMMPIXPASA-N 1 0 387.483 3.621 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030550 1025153871 /nfs/dbraw/zinc/15/38/71/1025153871.db2.gz NQGUXISAFJHGGK-PXNSSMCTSA-N 1 0 399.535 3.873 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)[C@H]2CC ZINC001138647967 1025159804 /nfs/dbraw/zinc/15/98/04/1025159804.db2.gz LXZOQTOKMRQJQE-GMAHTHKFSA-N 1 0 396.510 3.933 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001138660720 1025179114 /nfs/dbraw/zinc/17/91/14/1025179114.db2.gz CGHDNUALVOOUDG-NWSQWKLXSA-N 1 0 380.488 3.847 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001138661771 1025180994 /nfs/dbraw/zinc/18/09/94/1025180994.db2.gz ZXRGRGXBOHRIKE-FQEVSTJZSA-N 1 0 398.547 3.681 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001138662230 1025182253 /nfs/dbraw/zinc/18/22/53/1025182253.db2.gz QYBVMNSYSUGYFM-IFMALSPDSA-N 1 0 394.490 3.871 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1C#N ZINC000832054048 1025188710 /nfs/dbraw/zinc/18/87/10/1025188710.db2.gz CVEIIDVLSUYHLA-NQIIRXRSSA-N 1 0 392.503 3.560 20 30 GHEDRO N#Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)ncc1Br ZINC001161936312 1025504806 /nfs/dbraw/zinc/50/48/06/1025504806.db2.gz XYCWZXGTUZIRKO-HNNXBMFYSA-N 1 0 375.270 3.948 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CCC([NH3+])(Cc3ccccc3F)CC2)cnc1Cl ZINC001161988099 1025522206 /nfs/dbraw/zinc/52/22/06/1025522206.db2.gz BPLAKYGIBXZMQC-UHFFFAOYSA-N 1 0 394.828 3.831 20 30 GHEDRO N#Cc1cc(F)cnc1NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001162048932 1025562831 /nfs/dbraw/zinc/56/28/31/1025562831.db2.gz GJHHWNQQRFFKBQ-UHFFFAOYSA-N 1 0 378.373 3.888 20 30 GHEDRO N#Cc1ccnc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)c1F ZINC001162051861 1025566787 /nfs/dbraw/zinc/56/67/87/1025566787.db2.gz HBAXSMLLKCEHSG-UHFFFAOYSA-N 1 0 378.373 3.888 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(Nc3cc(C#N)nc(CC)n3)cc2Cl)CC1 ZINC001162266407 1025697192 /nfs/dbraw/zinc/69/71/92/1025697192.db2.gz DAMDEOUUHYHTHY-UHFFFAOYSA-N 1 0 384.915 3.840 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OCC)cc1OCC)C2 ZINC001138977938 1025704084 /nfs/dbraw/zinc/70/40/84/1025704084.db2.gz IOPGBMKNEGIQGG-IRLDBZIGSA-N 1 0 375.509 3.810 20 30 GHEDRO F[C@@H]1C[NH2+][C@H](CNc2cnc(N=C(c3ccccc3)c3ccccc3)nc2)C1 ZINC001162481447 1025762596 /nfs/dbraw/zinc/76/25/96/1025762596.db2.gz RDZIECCKFCJLMP-OALUTQOASA-N 1 0 375.451 3.758 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-n2c3ccccc3nc2[C@H](C)[NH3+])n1 ZINC001162764671 1025909957 /nfs/dbraw/zinc/90/99/57/1025909957.db2.gz ZUABDAGAZQBOQR-WTVBYQHKSA-N 1 0 383.521 3.630 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2ccc3c(c2)CC[NH2+]C3)n1 ZINC001162807208 1025924317 /nfs/dbraw/zinc/92/43/17/1025924317.db2.gz AWPIJWYHMPNFBI-JEYMYLTASA-N 1 0 384.549 3.529 20 30 GHEDRO C#CCOc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC001141630154 1025958808 /nfs/dbraw/zinc/95/88/08/1025958808.db2.gz LBRJONZRJWDGCN-IBGZPJMESA-N 1 0 376.500 3.861 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1N[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001163032763 1026015445 /nfs/dbraw/zinc/01/54/45/1026015445.db2.gz YYJNVGRERBMYOE-OAQYLSRUSA-N 1 0 375.472 3.831 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163279837 1026122390 /nfs/dbraw/zinc/12/23/90/1026122390.db2.gz PKYOIFCREUKNDM-DNVCBOLYSA-N 1 0 377.992 3.535 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001139295664 1026146307 /nfs/dbraw/zinc/14/63/07/1026146307.db2.gz CGNJXUGMLXMZJK-LJQANCHMSA-N 1 0 397.544 3.624 20 30 GHEDRO N#Cc1c(N[C@H](c2cccnc2C(F)(F)F)C2CC2)ncc2c1CCC[NH2+]C2 ZINC001163387619 1026173081 /nfs/dbraw/zinc/17/30/81/1026173081.db2.gz HGJUPFSNOJJLDY-KRWDZBQOSA-N 1 0 387.409 3.966 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@H]1c1ccccc1 ZINC001141664579 1026184278 /nfs/dbraw/zinc/18/42/78/1026184278.db2.gz RIRMBIKVHJFTDF-ROUUACIJSA-N 1 0 399.288 3.709 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1ccc2c(Cl)ncnc2c1 ZINC001163466070 1026204364 /nfs/dbraw/zinc/20/43/64/1026204364.db2.gz LJKBAZBIFCWSFY-UHFFFAOYSA-N 1 0 389.837 3.999 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(N3CCCCC3)nc1)CC2 ZINC001139343485 1026207686 /nfs/dbraw/zinc/20/76/86/1026207686.db2.gz VUEZJNANOKWYPT-QHCPKHFHSA-N 1 0 382.552 3.605 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@]1(O)C(F)(F)F ZINC001139399966 1026270837 /nfs/dbraw/zinc/27/08/37/1026270837.db2.gz AELABYSDLBSEQR-KUHUBIRLSA-N 1 0 375.394 3.755 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139402763 1026274851 /nfs/dbraw/zinc/27/48/51/1026274851.db2.gz WTEPKAOLLWJJJF-KXTWHKPSSA-N 1 0 390.487 3.575 20 30 GHEDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)n1 ZINC001139404650 1026277516 /nfs/dbraw/zinc/27/75/16/1026277516.db2.gz SUVVNYNLYNPZKQ-NRFANRHFSA-N 1 0 385.471 3.762 20 30 GHEDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406965 1026280618 /nfs/dbraw/zinc/28/06/18/1026280618.db2.gz KZNFEHIRGMMULH-QHCPKHFHSA-N 1 0 390.531 3.695 20 30 GHEDRO COCC(=O)N[C@H](C)c1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC001163684502 1026283139 /nfs/dbraw/zinc/28/31/39/1026283139.db2.gz ZKWYOKPRJZVNSO-GFCCVEGCSA-N 1 0 379.382 3.566 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CCC[C@]12CCC(=O)N2 ZINC001139423262 1026293896 /nfs/dbraw/zinc/29/38/96/1026293896.db2.gz GJPWMHCPKRNQGN-REWPJTCUSA-N 1 0 390.487 3.769 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c3ccccc3[nH]c1C(=O)OCC)C2 ZINC001139464070 1026330143 /nfs/dbraw/zinc/33/01/43/1026330143.db2.gz JWQYIAVEACHYJG-HXOBKFHXSA-N 1 0 398.503 3.671 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)cc1F ZINC001139528824 1026387593 /nfs/dbraw/zinc/38/75/93/1026387593.db2.gz ZBHXXNWXEWKDLP-DEOSSOPVSA-N 1 0 391.490 3.755 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cnc(-c5ccccc5)[nH]4)C3)CC2=O)c1 ZINC001139555612 1026425130 /nfs/dbraw/zinc/42/51/30/1026425130.db2.gz OWRYJLMAAIJBEB-DEOSSOPVSA-N 1 0 397.482 3.577 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(OC)c3)C2)C1 ZINC001139611920 1026474501 /nfs/dbraw/zinc/47/45/01/1026474501.db2.gz HFRNLFCOYRVUBD-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001139617670 1026482369 /nfs/dbraw/zinc/48/23/69/1026482369.db2.gz WXVUMVXXATWUTP-BYUVYSIJSA-N 1 0 376.500 3.762 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3cc(C#N)cc4[nH]ccc43)CC2)cc1 ZINC001164336108 1026488913 /nfs/dbraw/zinc/48/89/13/1026488913.db2.gz QHYZMLJSVRKOEN-UHFFFAOYSA-N 1 0 389.503 3.672 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3ccc(OCCC#N)cc3)CC2)cc1 ZINC001164334735 1026489135 /nfs/dbraw/zinc/48/91/35/1026489135.db2.gz ZPAHUMFSVCGXHR-UHFFFAOYSA-N 1 0 394.519 3.612 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3OC(F)(F)F)C2)C1=O ZINC001276401036 1026528603 /nfs/dbraw/zinc/52/86/03/1026528603.db2.gz JCGMCXMWJYRONY-QGZVFWFLSA-N 1 0 388.817 3.849 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(Cl)c3C#N)C[C@@H]21 ZINC001139689792 1026542326 /nfs/dbraw/zinc/54/23/26/1026542326.db2.gz UIQHAZBGFGRZEE-ZJOUEHCJSA-N 1 0 394.906 3.753 20 30 GHEDRO N#Cc1cccc2c(CN3CCCC[C@@]34CC(=O)N(Cc3cccnc3)C4)c[nH]c21 ZINC001139702508 1026547411 /nfs/dbraw/zinc/54/74/11/1026547411.db2.gz CMQRYJADLHSAEF-DEOSSOPVSA-N 1 0 399.498 3.592 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4c[nH]c5c4cccc5C#N)C3)CC2=O)cc1 ZINC001139705511 1026550729 /nfs/dbraw/zinc/55/07/29/1026550729.db2.gz TUEGVRWTDCOJEZ-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)c[nH]c21 ZINC001139707632 1026552409 /nfs/dbraw/zinc/55/24/09/1026552409.db2.gz NCRLCWBIHNIOMD-UHFFFAOYSA-N 1 0 394.482 3.819 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc3cccnc3c1)CC2 ZINC001139740960 1026581373 /nfs/dbraw/zinc/58/13/73/1026581373.db2.gz OYRTYLOBLXLVIS-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO C[NH+](C)C[C@H]1CCCN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001165073121 1026588396 /nfs/dbraw/zinc/58/83/96/1026588396.db2.gz AIEZPFOOFDZFPU-OAHLLOKOSA-N 1 0 391.853 3.744 20 30 GHEDRO N#Cc1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cnc1Cl ZINC001165082462 1026594144 /nfs/dbraw/zinc/59/41/44/1026594144.db2.gz DLLBMLBSQKVOHE-MAUKXSAKSA-N 1 0 388.849 3.862 20 30 GHEDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001165113344 1026614633 /nfs/dbraw/zinc/61/46/33/1026614633.db2.gz QQAOVRFSNZZBNK-SFHVURJKSA-N 1 0 384.911 3.839 20 30 GHEDRO C[N@H+](C1CN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)C1)[C@@H]1CCOC1 ZINC001165205082 1026666629 /nfs/dbraw/zinc/66/66/29/1026666629.db2.gz AQHUHIFEAYXOAJ-QGZVFWFLSA-N 1 0 390.512 3.744 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001139865343 1026678665 /nfs/dbraw/zinc/67/86/65/1026678665.db2.gz DZLALQDRWGBDAN-UHFFFAOYSA-N 1 0 377.941 3.967 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165260164 1026681172 /nfs/dbraw/zinc/68/11/72/1026681172.db2.gz FCDKGFSQBMWIQV-QGZVFWFLSA-N 1 0 389.616 3.746 20 30 GHEDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876919 1026693581 /nfs/dbraw/zinc/69/35/81/1026693581.db2.gz QNKVLKGCJURHNG-NRFANRHFSA-N 1 0 377.463 3.678 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)c1 ZINC001139877898 1026695071 /nfs/dbraw/zinc/69/50/71/1026695071.db2.gz XTKPHBOQBSPZEW-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO CC(C)(C)c1nc2c(o1)c(C#N)cnc2NCC1C[NH+](Cc2ccccc2)C1 ZINC001165427297 1026724437 /nfs/dbraw/zinc/72/44/37/1026724437.db2.gz LSFNRMUHUOEAJE-UHFFFAOYSA-N 1 0 375.476 3.936 20 30 GHEDRO Cc1nc(NCC2C[NH+](Cc3ccccc3)C2)c(C#N)c(C)c1Br ZINC001165454543 1026731228 /nfs/dbraw/zinc/73/12/28/1026731228.db2.gz PFGVJCADNSEBBQ-UHFFFAOYSA-N 1 0 385.309 3.877 20 30 GHEDRO N#Cc1cc(Cl)nc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001165477098 1026739158 /nfs/dbraw/zinc/73/91/58/1026739158.db2.gz DVFONVPNSBJGRX-FXAWDEMLSA-N 1 0 386.858 3.795 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1cc(Br)cnc1F)CC2 ZINC001140006157 1026792657 /nfs/dbraw/zinc/79/26/57/1026792657.db2.gz OIFXFVFCUDMQJP-SFHVURJKSA-N 1 0 396.304 3.516 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccccc1-n1ccnc1C)CCO2 ZINC001140026546 1026814348 /nfs/dbraw/zinc/81/43/48/1026814348.db2.gz ZSEHEUQGWSXLIY-JTHBVZDNSA-N 1 0 381.520 3.754 20 30 GHEDRO N#Cc1cc2c(nc1-n1nc(-c3ccc(F)cc3)c3c1CC[NH2+]CC3)CCCC2 ZINC001165824122 1026846894 /nfs/dbraw/zinc/84/68/94/1026846894.db2.gz UWUKCTFAGVXHTG-UHFFFAOYSA-N 1 0 387.462 3.512 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCCC4(CCN(c5ncccn5)CC4)C3)c2c1 ZINC001140113069 1026893301 /nfs/dbraw/zinc/89/33/01/1026893301.db2.gz RITOJJVWKAOZFX-UHFFFAOYSA-N 1 0 386.503 3.712 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]12 ZINC001140117487 1026898941 /nfs/dbraw/zinc/89/89/41/1026898941.db2.gz SGPNJWFNDCNFQP-XFQXTVEOSA-N 1 0 380.492 3.775 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccc(O)cc4F)C3)C2)c1 ZINC001140127179 1026904446 /nfs/dbraw/zinc/90/44/46/1026904446.db2.gz PHBPNWNVJSTGRQ-QHCPKHFHSA-N 1 0 395.478 3.522 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140179526 1026952415 /nfs/dbraw/zinc/95/24/15/1026952415.db2.gz FZMLZQKTQFFOPM-UHFFFAOYSA-N 1 0 381.520 3.876 20 30 GHEDRO Cc1ccc(N(c2ccc3[nH]c(C#N)cc3n2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166313571 1026972082 /nfs/dbraw/zinc/97/20/82/1026972082.db2.gz YLMXYWKBKHSTBV-UHFFFAOYSA-N 1 0 395.470 3.691 20 30 GHEDRO Cc1ccc(N(c2ccc3c(C#N)c[nH]c3n2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166314362 1026972683 /nfs/dbraw/zinc/97/26/83/1026972683.db2.gz SFIFQECHCCEWOI-UHFFFAOYSA-N 1 0 395.470 3.691 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)C(=O)/C=C/c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001140217482 1026994485 /nfs/dbraw/zinc/99/44/85/1026994485.db2.gz MUEZKGWEDSTXLB-QJXUFPCYSA-N 1 0 388.870 3.523 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840086314 1027163463 /nfs/dbraw/zinc/16/34/63/1027163463.db2.gz MGHOVCXBLJJYCI-JOCHJYFZSA-N 1 0 397.592 3.951 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)c2ccc(Br)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001141775097 1027212473 /nfs/dbraw/zinc/21/24/73/1027212473.db2.gz IWOAYWTYIIMNAO-KUHUBIRLSA-N 1 0 398.304 3.714 20 30 GHEDRO Cc1cc(N)[nH+]cc1Nc1cc(Cl)c(I)cc1C#N ZINC001209972330 1027299041 /nfs/dbraw/zinc/29/90/41/1027299041.db2.gz LHPMUCYOZJDZNK-UHFFFAOYSA-N 1 0 384.608 3.846 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCc1cn(C)c2ncccc12 ZINC001203415585 1027321482 /nfs/dbraw/zinc/32/14/82/1027321482.db2.gz SCNIAXIGAWXANU-UHFFFAOYSA-N 1 0 398.304 3.680 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(F)cc1I)C2 ZINC001203446185 1027343301 /nfs/dbraw/zinc/34/33/01/1027343301.db2.gz DILWLNLPQUEKAE-INIZCTEOSA-N 1 0 392.215 3.559 20 30 GHEDRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001203502147 1027386479 /nfs/dbraw/zinc/38/64/79/1027386479.db2.gz SGPYPICMKODREL-IBGZPJMESA-N 1 0 382.460 3.627 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cncc(CNC(=O)OC(C)(C)C)c3)sc2C1 ZINC001203595106 1027461136 /nfs/dbraw/zinc/46/11/36/1027461136.db2.gz YEPMAZKSNRNGAF-UHFFFAOYSA-N 1 0 399.520 3.771 20 30 GHEDRO Cc1cc(C#N)ccc1Nc1ccc(N2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC001210376001 1027478268 /nfs/dbraw/zinc/47/82/68/1027478268.db2.gz FSPVNLHWZOOPQL-UHFFFAOYSA-N 1 0 389.547 3.827 20 30 GHEDRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cccc(OCc4ccccc4C#N)c3)O2)CO1 ZINC001203720897 1027554686 /nfs/dbraw/zinc/55/46/86/1027554686.db2.gz DMDVANQJYFMMMD-QFWMQHCXSA-N 1 0 392.499 3.953 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccc(C#N)c3)CC2)Oc2ccccc21 ZINC001203760214 1027581671 /nfs/dbraw/zinc/58/16/71/1027581671.db2.gz FAOXPOCDZPALQZ-HXUWFJFHSA-N 1 0 389.499 3.595 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC001203760863 1027583796 /nfs/dbraw/zinc/58/37/96/1027583796.db2.gz PWXNFEIHGKMVLM-DHIUTWEWSA-N 1 0 377.488 3.541 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](Cc3cccc(C#N)c3)CC2)c2cc(C)ccc21 ZINC001203761246 1027584014 /nfs/dbraw/zinc/58/40/14/1027584014.db2.gz YGFURCHNDMQCCO-QFIPXVFZSA-N 1 0 388.515 3.774 20 30 GHEDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001461267383 1069471147 /nfs/dbraw/zinc/47/11/47/1069471147.db2.gz GRASXFXIMWHRER-KURKYZTESA-N 1 0 377.488 3.690 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(OC)c3)C[C@@H]2c2ccccc2)C1=O ZINC001203821819 1027635479 /nfs/dbraw/zinc/63/54/79/1027635479.db2.gz WIBHXPIACIWRND-VWNXMTODSA-N 1 0 376.500 3.699 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)ccc1OC(C)=O ZINC001203835480 1027643731 /nfs/dbraw/zinc/64/37/31/1027643731.db2.gz PPLATDDQMOSKJA-FQEVSTJZSA-N 1 0 380.444 3.536 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CCCCC1 ZINC001210827094 1027665124 /nfs/dbraw/zinc/66/51/24/1027665124.db2.gz UASLRNHOZRIAFP-MRXNPFEDSA-N 1 0 382.430 3.725 20 30 GHEDRO COC[C@H]1CC2(CN1Cc1nccs1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902869 1027696884 /nfs/dbraw/zinc/69/68/84/1027696884.db2.gz MSBPDWZFEYHTEG-HXUWFJFHSA-N 1 0 396.560 3.518 20 30 GHEDRO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141943591 1027721264 /nfs/dbraw/zinc/72/12/64/1027721264.db2.gz BAOQJWLKUSIUKY-UXHICEINSA-N 1 0 395.528 3.986 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1ccc(OC)c2ccccc12 ZINC001203992277 1027788749 /nfs/dbraw/zinc/78/87/49/1027788749.db2.gz FZWRVOJSGRYKPK-NRFANRHFSA-N 1 0 377.488 3.884 20 30 GHEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)no1 ZINC001211436169 1027957660 /nfs/dbraw/zinc/95/76/60/1027957660.db2.gz DMZAYBCEQJGULL-UHFFFAOYSA-N 1 0 379.464 3.738 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000840972279 1028009169 /nfs/dbraw/zinc/00/91/69/1028009169.db2.gz JFXOOHIQQKPECS-PGRDOPGGSA-N 1 0 380.488 3.597 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000841087657 1028111471 /nfs/dbraw/zinc/11/14/71/1028111471.db2.gz UXDALEYQVXKYJH-LRDDRELGSA-N 1 0 390.365 3.731 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000301134642 1028210108 /nfs/dbraw/zinc/21/01/08/1028210108.db2.gz ACAYDZYLRQQIED-FQEVSTJZSA-N 1 0 399.332 3.825 20 30 GHEDRO Cc1ncc(C(F)(F)F)cc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001213830710 1028395484 /nfs/dbraw/zinc/39/54/84/1028395484.db2.gz HCZYZFMGHORCLV-UHFFFAOYSA-N 1 0 375.398 3.776 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000841311033 1028405388 /nfs/dbraw/zinc/40/53/88/1028405388.db2.gz MIUJTKYNKNIROG-SFHVURJKSA-N 1 0 396.491 3.807 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(N4CCCC4)cc3F)cc2C#N)CC1 ZINC001213851488 1028410105 /nfs/dbraw/zinc/41/01/05/1028410105.db2.gz KTAWUPZELUBRKC-UHFFFAOYSA-N 1 0 379.483 3.793 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)ccc1OC ZINC000842680746 1029486584 /nfs/dbraw/zinc/48/65/84/1029486584.db2.gz XVXDHGTYFQHBBI-GOSISDBHSA-N 1 0 394.475 3.968 20 30 GHEDRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000842758866 1029569217 /nfs/dbraw/zinc/56/92/17/1029569217.db2.gz IRQJMNKMNXYXQB-UHFFFAOYSA-N 1 0 391.475 3.520 20 30 GHEDRO COc1cc2cccnc2c(N(C(=O)C#Cc2ccccc2)[C@H](C)CCC[NH3+])c1 ZINC001142861661 1029597526 /nfs/dbraw/zinc/59/75/26/1029597526.db2.gz YJNXTECCZZOAEJ-GOSISDBHSA-N 1 0 387.483 3.756 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000842833894 1029622300 /nfs/dbraw/zinc/62/23/00/1029622300.db2.gz QHNVEHJXJAGQDF-GOSISDBHSA-N 1 0 380.492 3.741 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCN(c4ncccc4C(F)(F)F)CC3)c[nH]c2c1 ZINC001142911783 1029677807 /nfs/dbraw/zinc/67/78/07/1029677807.db2.gz JOJQOKSTAOCGDE-UHFFFAOYSA-N 1 0 385.393 3.776 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142916722 1029689381 /nfs/dbraw/zinc/68/93/81/1029689381.db2.gz XZQNMMIXNHSXSN-OXJNMPFZSA-N 1 0 380.492 3.871 20 30 GHEDRO N#Cc1ccc2c(CN3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c[nH]c2c1 ZINC001142929105 1029710561 /nfs/dbraw/zinc/71/05/61/1029710561.db2.gz VWJNOUYXZYEDJH-CTNGQTDRSA-N 1 0 390.462 3.516 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@H](Oc4cc(C(F)(F)F)ncn4)C3)c[nH]c2c1 ZINC001142930583 1029711877 /nfs/dbraw/zinc/71/18/77/1029711877.db2.gz LCBCADXSZLGAOQ-CQSZACIVSA-N 1 0 387.365 3.502 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1=O ZINC001142968632 1029736489 /nfs/dbraw/zinc/73/64/89/1029736489.db2.gz LZFLHTSUHXXZAJ-QFIPXVFZSA-N 1 0 396.922 3.798 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)[C@H](O)C(C)C)cc1OC ZINC001461578847 1069620129 /nfs/dbraw/zinc/62/01/29/1069620129.db2.gz GKEUEMVDZRURIM-DOTOQJQBSA-N 1 0 386.330 3.908 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc4n[nH]cc43)C[C@@H]2c2ccccc2)C1=O ZINC001143089994 1029837391 /nfs/dbraw/zinc/83/73/91/1029837391.db2.gz DXFRREOECPFGEC-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](Cc2ccc(F)cc2C)C(=O)NC)c(O)c1 ZINC000843265417 1029874912 /nfs/dbraw/zinc/87/49/12/1029874912.db2.gz GNTVBXSPOWLKEZ-YMSFFTPVSA-N 1 0 399.510 3.710 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC001217135085 1030188379 /nfs/dbraw/zinc/18/83/79/1030188379.db2.gz JLEASNMZWIERAN-UHFFFAOYSA-N 1 0 392.219 3.545 20 30 GHEDRO Fc1c(F)c(F)c(CN2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c(F)c1F ZINC001222642116 1030253992 /nfs/dbraw/zinc/25/39/92/1030253992.db2.gz FSMUWYTZSCRZIE-AWEZNQCLSA-N 1 0 388.302 3.889 20 30 GHEDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)C[C@@]2(C)C1 ZINC001149670625 1030265398 /nfs/dbraw/zinc/26/53/98/1030265398.db2.gz GNTXETFHDYQVTK-PSWAGMNNSA-N 1 0 389.499 3.551 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NCCC[NH+]2CCCC2)n(-c2ccc(C#N)cc2)n1 ZINC001217731812 1030633917 /nfs/dbraw/zinc/63/39/17/1030633917.db2.gz TYAPXGJIAJQPOI-UHFFFAOYSA-N 1 0 394.523 3.649 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CCC[NH2+]C[C@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001217945712 1030679462 /nfs/dbraw/zinc/67/94/62/1030679462.db2.gz CUQBHJSBJKNGJB-OYEZICKXSA-N 1 0 385.435 3.766 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3CCC[NH2+]C[C@H]3F)c3ccccc23)ccc1F ZINC001217947156 1030680432 /nfs/dbraw/zinc/68/04/32/1030680432.db2.gz JLPWBEFYHPGKTK-CTNGQTDRSA-N 1 0 394.425 3.700 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001461697260 1069685063 /nfs/dbraw/zinc/68/50/63/1069685063.db2.gz IJGOKEIQXDIIID-UHFFFAOYSA-N 1 0 389.249 3.968 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001217996423 1030711940 /nfs/dbraw/zinc/71/19/40/1030711940.db2.gz RZMPFRASTUXUGX-FZPHVUPCSA-N 1 0 395.455 3.523 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CCC[NH2+]CC1 ZINC001217996719 1030712630 /nfs/dbraw/zinc/71/26/30/1030712630.db2.gz KUUARUDVLKJWID-FAGWJSQMSA-N 1 0 379.504 3.841 20 30 GHEDRO C=CCc1c(O[C@H]2CC[NH2+]CC[C@H]2C)c2cccnc2n(-c2ccccc2)c1=O ZINC001218034876 1030734985 /nfs/dbraw/zinc/73/49/85/1030734985.db2.gz SKBVQYIRAXIFQZ-UTKZUKDTSA-N 1 0 389.499 3.881 20 30 GHEDRO CCCCCCCC(=O)c1c(CC(=O)OCC)cc(O)cc1O[C@@H]1CC[NH2+]C1 ZINC001218038809 1030736843 /nfs/dbraw/zinc/73/68/43/1030736843.db2.gz YKOQSLYLYLIBTF-GOSISDBHSA-N 1 0 391.508 3.782 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC001218046067 1030739936 /nfs/dbraw/zinc/73/99/36/1030739936.db2.gz QOPLANLBDUTICS-IIBYNOLFSA-N 1 0 379.456 3.776 20 30 GHEDRO CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1OC1C[NH2+]C1 ZINC001218053283 1030743885 /nfs/dbraw/zinc/74/38/85/1030743885.db2.gz VNJZUNDXHMAMAN-IZZDOVSWSA-N 1 0 379.456 3.853 20 30 GHEDRO COc1cc(O[C@@H]2CC[NH2+][C@H](C)C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218053961 1030744807 /nfs/dbraw/zinc/74/48/07/1030744807.db2.gz VNOGCOBHDKKKRO-SDKQKANHSA-N 1 0 395.455 3.579 20 30 GHEDRO COc1cc(O[C@@H]2CC[NH2+][C@@H](C)C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218053960 1030745149 /nfs/dbraw/zinc/74/51/49/1030745149.db2.gz VNOGCOBHDKKKRO-ONRVGMAUSA-N 1 0 395.455 3.579 20 30 GHEDRO C[C@H]1C[C@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)CC[NH2+]1 ZINC001218062155 1030750322 /nfs/dbraw/zinc/75/03/22/1030750322.db2.gz RMRWGYLJIIHGHI-YHQSLQBASA-N 1 0 379.504 3.840 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2CC[NH2+]C[C@H]2F)c(OC)c1 ZINC001218069362 1030754756 /nfs/dbraw/zinc/75/47/56/1030754756.db2.gz IAEWCOLPODPGEK-CXBOONTCSA-N 1 0 391.483 3.896 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(O[C@@H]3CCC34CC[NH2+]CC4)cccc1C2=O ZINC001218082454 1030761466 /nfs/dbraw/zinc/76/14/66/1030761466.db2.gz VHCVYVYZBBLLTI-QGZVFWFLSA-N 1 0 381.472 3.820 20 30 GHEDRO C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001218101136 1030772696 /nfs/dbraw/zinc/77/26/96/1030772696.db2.gz FGGDDSXBWLRAIA-SFHVURJKSA-N 1 0 381.497 3.709 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115487 1030780755 /nfs/dbraw/zinc/78/07/55/1030780755.db2.gz GYBGBIXGFZKFLL-BFXQORNBSA-N 1 0 391.515 3.841 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1C#N ZINC001461705638 1069690602 /nfs/dbraw/zinc/69/06/02/1069690602.db2.gz AKFXNLDAYKJCGU-AWEZNQCLSA-N 1 0 387.402 3.502 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ncnc2cc(OCc3ccccc3)c(OC)cc21 ZINC001218205344 1030829408 /nfs/dbraw/zinc/82/94/08/1030829408.db2.gz FJTYSUMUQRQZQH-NRFANRHFSA-N 1 0 377.444 3.514 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2CCC3(C[NH2+]C3)C2)c(Br)c1 ZINC001218235109 1030842137 /nfs/dbraw/zinc/84/21/37/1030842137.db2.gz MYBFAJOVYROZTK-SNVBAGLBSA-N 1 0 386.087 3.604 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2CCC23C[NH2+]C3)c(O)c1 ZINC001218240954 1030847384 /nfs/dbraw/zinc/84/73/84/1030847384.db2.gz PSRGPZHOEFOFKO-GOSISDBHSA-N 1 0 377.481 3.746 20 30 GHEDRO C#CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3sc(Cl)c4ccccc34)C2)C1=O ZINC001276938115 1030848241 /nfs/dbraw/zinc/84/82/41/1030848241.db2.gz PAFZAAKRVHHMCX-HXUWFJFHSA-N 1 0 386.904 3.529 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@H]2CCC23C[NH2+]C3)c(OC)c1 ZINC001218244361 1030848346 /nfs/dbraw/zinc/84/83/46/1030848346.db2.gz OTXTUCSWWZSWMR-GLJAUCNMSA-N 1 0 385.504 3.948 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CC[NH2+]CC2(C)C)c1 ZINC001218313945 1030886806 /nfs/dbraw/zinc/88/68/06/1030886806.db2.gz FFZDWFUPMRNQOB-OIHWHRODSA-N 1 0 397.471 3.769 20 30 GHEDRO Cc1cc(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218324897 1030893623 /nfs/dbraw/zinc/89/36/23/1030893623.db2.gz KNMCVISLYVBOSY-GDJWGKKHSA-N 1 0 379.456 3.597 20 30 GHEDRO C[C@@H]1CC[C@@H](Oc2ccccc2/C=N/CCC/N=C/c2ccccc2O)C[NH2+]1 ZINC001218401801 1030920794 /nfs/dbraw/zinc/92/07/94/1030920794.db2.gz ICRQYHBJCPNBMG-NCSAWAQBSA-N 1 0 379.504 3.840 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2C[NH2+]CCC23CC3)c(Br)c1 ZINC001218400412 1030921094 /nfs/dbraw/zinc/92/10/94/1030921094.db2.gz VSOWVRORSGGDQW-GFCCVEGCSA-N 1 0 386.087 3.604 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CC[NH2+]C[C@@H]2C)c1OC ZINC001218420661 1030931951 /nfs/dbraw/zinc/93/19/51/1030931951.db2.gz DMAKCMSYCSVCIN-JJDZQTOISA-N 1 0 397.471 3.682 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC001218422654 1030932532 /nfs/dbraw/zinc/93/25/32/1030932532.db2.gz JMRGHOBZAJXFLT-OXJNMPFZSA-N 1 0 379.456 3.776 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)c(C#N)c2)nc1C ZINC001218461413 1030946355 /nfs/dbraw/zinc/94/63/55/1030946355.db2.gz RQAALHCKLAZUPN-QILLFSRXSA-N 1 0 397.500 3.544 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218464539 1030948314 /nfs/dbraw/zinc/94/83/14/1030948314.db2.gz LRUOEUZIZBVFES-FFIRYAABSA-N 1 0 393.483 3.977 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC001218483381 1030955325 /nfs/dbraw/zinc/95/53/25/1030955325.db2.gz XXWFBYSOSAOYTF-ZYZVHPOOSA-N 1 0 397.471 3.682 20 30 GHEDRO N#Cc1c(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218554750 1030985651 /nfs/dbraw/zinc/98/56/51/1030985651.db2.gz TVPXNZNWAMQVMX-IECBHUPTSA-N 1 0 398.466 3.646 20 30 GHEDRO COC(=O)c1sc(C(C)(C)C)cc1NC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N ZINC001218608545 1031004068 /nfs/dbraw/zinc/00/40/68/1031004068.db2.gz YSNLKKOVWNAEGU-HNNXBMFYSA-N 1 0 399.516 3.602 20 30 GHEDRO CCOC(=O)[C@H]1CC[C@H](OCC[S+](c2ccccc2)c2ccccc2)CO1 ZINC001224637413 1031066425 /nfs/dbraw/zinc/06/64/25/1031066425.db2.gz SSIRZXDBKQBWTH-GHTZIAJQSA-N 1 0 387.521 3.850 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C[NH2+]3)n2)s1 ZINC001218787956 1031080151 /nfs/dbraw/zinc/08/01/51/1031080151.db2.gz OVCZUMIZBVWUSV-WPRPVWTQSA-N 1 0 386.424 3.612 20 30 GHEDRO Cc1cc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)cc(C)c1Br ZINC001218813922 1031090611 /nfs/dbraw/zinc/09/06/11/1031090611.db2.gz DYQNMPJJNIJDII-INIZCTEOSA-N 1 0 386.293 3.836 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2sc(Cl)nc2c1 ZINC001218902243 1031141659 /nfs/dbraw/zinc/14/16/59/1031141659.db2.gz RXEKAESENBACQE-CABCVRRESA-N 1 0 382.876 3.763 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2ccc(CCc3ccc(N)cc3C)c(C)c2)CCC[NH2+]1 ZINC001218964103 1031182917 /nfs/dbraw/zinc/18/29/17/1031182917.db2.gz ZNJJPSRFZUXWSZ-XMMPIXPASA-N 1 0 375.516 3.755 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)cn2)cc1 ZINC001152378272 1031211838 /nfs/dbraw/zinc/21/18/38/1031211838.db2.gz NHTOTKOLGNJALQ-HSZRJFAPSA-N 1 0 399.498 3.621 20 30 GHEDRO C#CCN(C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)C1CC1 ZINC001225046279 1031222769 /nfs/dbraw/zinc/22/27/69/1031222769.db2.gz GADHLSPCHBATFM-SFHVURJKSA-N 1 0 381.442 3.896 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC001219166714 1031284307 /nfs/dbraw/zinc/28/43/07/1031284307.db2.gz SHFPQWYTELSWHF-SJLPKXTDSA-N 1 0 375.513 3.892 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c(Cl)c1 ZINC001277031166 1031334398 /nfs/dbraw/zinc/33/43/98/1031334398.db2.gz VTUINAXPQRVJIG-IBGZPJMESA-N 1 0 381.854 3.681 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001225513525 1031449112 /nfs/dbraw/zinc/44/91/12/1031449112.db2.gz UULVHEOUJGTWNX-FCHUYYIVSA-N 1 0 379.479 3.945 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001219482894 1031451193 /nfs/dbraw/zinc/45/11/93/1031451193.db2.gz LYNXLSMIPFORMW-KRWDZBQOSA-N 1 0 390.987 3.524 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)N[C@@H]3CC[NH2+][C@H]3c3ccccc3)c2)c1 ZINC001219820342 1031633830 /nfs/dbraw/zinc/63/38/30/1031633830.db2.gz CCSFPIYKSIJUTF-PKTZIBPZSA-N 1 0 383.451 3.764 20 30 GHEDRO COc1ccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1C#N ZINC001219840703 1031650384 /nfs/dbraw/zinc/65/03/84/1031650384.db2.gz JNZOATCTBDKYHY-HXUWFJFHSA-N 1 0 396.491 3.778 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC001219884191 1031675057 /nfs/dbraw/zinc/67/50/57/1031675057.db2.gz USZLRAXXXLIWMD-HNNXBMFYSA-N 1 0 384.430 3.965 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)cc2n1 ZINC001220157503 1031806720 /nfs/dbraw/zinc/80/67/20/1031806720.db2.gz LMZFGAWFQDMPSD-UHFFFAOYSA-N 1 0 395.482 3.957 20 30 GHEDRO C#Cc1ccc(NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c(Cl)c1 ZINC001220233273 1031849645 /nfs/dbraw/zinc/84/96/45/1031849645.db2.gz LDDDPVXYHDOSGQ-UHFFFAOYSA-N 1 0 385.895 3.626 20 30 GHEDRO N#Cc1cc(Br)cnc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001226285746 1031900313 /nfs/dbraw/zinc/90/03/13/1031900313.db2.gz UWKAHXALIZSCMD-UHFFFAOYSA-N 1 0 386.293 3.802 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC001220545431 1031984227 /nfs/dbraw/zinc/98/42/27/1031984227.db2.gz ZLSWQFYIUHQOES-MRXNPFEDSA-N 1 0 392.341 3.732 20 30 GHEDRO C[C@H](NC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N)c1ccccc1C(F)(F)F ZINC001220558642 1031989608 /nfs/dbraw/zinc/98/96/08/1031989608.db2.gz LBDCDDUYARYEPV-BBRMVZONSA-N 1 0 375.394 3.714 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001229206976 1033342639 /nfs/dbraw/zinc/34/26/39/1033342639.db2.gz BVCGULMRSHWJNK-UUYOSTAYSA-N 1 0 393.439 3.720 20 30 GHEDRO CN(C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl)[C@]1(C)CCC[NH2+]C1 ZINC001156976167 1033352516 /nfs/dbraw/zinc/35/25/16/1033352516.db2.gz CJUQLLJHEQKFDD-GOSISDBHSA-N 1 0 391.853 3.792 20 30 GHEDRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccc(F)c(C#N)c2)CC3)n1 ZINC001205467874 1033426979 /nfs/dbraw/zinc/42/69/79/1033426979.db2.gz ZGWQZSZWXIBWIP-UHFFFAOYSA-N 1 0 392.478 3.558 20 30 GHEDRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205472399 1033428418 /nfs/dbraw/zinc/42/84/18/1033428418.db2.gz CRIHZXQZSYZCDD-FQEVSTJZSA-N 1 0 377.463 3.678 20 30 GHEDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205473446 1033428705 /nfs/dbraw/zinc/42/87/05/1033428705.db2.gz ZUEUFDFDTKOVCX-FQEVSTJZSA-N 1 0 377.463 3.678 20 30 GHEDRO N#CCc1ccc(OCc2ccc(-c3ccc(N4CC[NH2+]CC4)cc3)nc2)cc1 ZINC001205539240 1033458806 /nfs/dbraw/zinc/45/88/06/1033458806.db2.gz ZUOIXCJSARESFS-UHFFFAOYSA-N 1 0 384.483 3.803 20 30 GHEDRO N#Cc1c2c(cnc1N(c1ncnc3ccccc31)C1CC[NH2+]CC1)CCCC2 ZINC001157329029 1033537019 /nfs/dbraw/zinc/53/70/19/1033537019.db2.gz PECSPEKTDNTFMV-UHFFFAOYSA-N 1 0 384.487 3.665 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1-n1nc(C2CC[NH2+]CC2)c2ccccc21 ZINC001157381755 1033562869 /nfs/dbraw/zinc/56/28/69/1033562869.db2.gz WKXIIJUZOFSIOE-UHFFFAOYSA-N 1 0 380.455 3.821 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157426562 1033581810 /nfs/dbraw/zinc/58/18/10/1033581810.db2.gz RKYPUVKIWMXOIO-OAHLLOKOSA-N 1 0 376.838 3.910 20 30 GHEDRO N#Cc1ccc(C(F)(F)N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)nc1Cl ZINC001157426702 1033581834 /nfs/dbraw/zinc/58/18/34/1033581834.db2.gz URNBRJVZCUVFTL-MRXNPFEDSA-N 1 0 376.838 3.910 20 30 GHEDRO Cc1ccc(C(=O)/C=C\C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC001157612312 1033691675 /nfs/dbraw/zinc/69/16/75/1033691675.db2.gz GHMKIBXUTPQYQE-KHPPLWFESA-N 1 0 385.467 3.631 20 30 GHEDRO C#Cc1cnc2nc(O[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)n(C(CC)CC)c2n1 ZINC001229758215 1033692680 /nfs/dbraw/zinc/69/26/80/1033692680.db2.gz AIVAKIFGQVTHEM-BWTSREIZSA-N 1 0 381.524 3.951 20 30 GHEDRO N#Cc1cc(F)cnc1N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001157668100 1033711567 /nfs/dbraw/zinc/71/15/67/1033711567.db2.gz PZYVFNQQPJBYGD-UHFFFAOYSA-N 1 0 394.494 3.742 20 30 GHEDRO Cc1cc(C#N)cc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001157671201 1033713856 /nfs/dbraw/zinc/71/38/56/1033713856.db2.gz VNCRGLCRZARMLN-UHFFFAOYSA-N 1 0 390.531 3.912 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1-n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001157903151 1033819085 /nfs/dbraw/zinc/81/90/85/1033819085.db2.gz WOYLMXCGEMYPJJ-UHFFFAOYSA-N 1 0 392.825 3.648 20 30 GHEDRO COc1ncc(C[N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)cn1 ZINC001206426774 1033837877 /nfs/dbraw/zinc/83/78/77/1033837877.db2.gz SBQLGHLLPONGER-JOCHJYFZSA-N 1 0 384.483 3.817 20 30 GHEDRO Cc1c[nH+]ccc1N1CCN(c2nc3cc(F)ccc3c(Cl)c2C#N)CC1 ZINC001158109524 1033918213 /nfs/dbraw/zinc/91/82/13/1033918213.db2.gz BKJXCOYANLAJFG-UHFFFAOYSA-N 1 0 381.842 3.929 20 30 GHEDRO C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001206719662 1033957170 /nfs/dbraw/zinc/95/71/70/1033957170.db2.gz SUXRIRWKOWNEER-SFHVURJKSA-N 1 0 377.554 3.713 20 30 GHEDRO Cc1nc(C#N)cnc1N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001158425884 1034074876 /nfs/dbraw/zinc/07/48/76/1034074876.db2.gz SSTRFCUIQMGSNK-UHFFFAOYSA-N 1 0 395.510 3.958 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)cc1C#N ZINC001207106313 1034095850 /nfs/dbraw/zinc/09/58/50/1034095850.db2.gz JKPAEYCMLPDNTF-UHFFFAOYSA-N 1 0 385.924 3.872 20 30 GHEDRO C=CCN(CC[N@H+](C)CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001207203598 1034170108 /nfs/dbraw/zinc/17/01/08/1034170108.db2.gz JVDZEVBJBNWEBV-UHFFFAOYSA-N 1 0 385.549 3.646 20 30 GHEDRO C=CCN(CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204013 1034173037 /nfs/dbraw/zinc/17/30/37/1034173037.db2.gz YSWJHCWMBHXUBK-NRFANRHFSA-N 1 0 387.568 3.863 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(Br)cc1C)CC2 ZINC001277466845 1034231548 /nfs/dbraw/zinc/23/15/48/1034231548.db2.gz KQSSERNYINWGCA-GOSISDBHSA-N 1 0 391.353 3.970 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001158739077 1034254318 /nfs/dbraw/zinc/25/43/18/1034254318.db2.gz USYHNDWYGVVDDZ-SJORKVTESA-N 1 0 393.491 3.666 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 ZINC001207388405 1034335584 /nfs/dbraw/zinc/33/55/84/1034335584.db2.gz NYWILFQYXWDNSM-MOPGFXCFSA-N 1 0 388.508 3.632 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159019987 1034384428 /nfs/dbraw/zinc/38/44/28/1034384428.db2.gz MDMVKTBINAFFHH-UHFFFAOYSA-N 1 0 381.483 3.657 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCc3ccc(F)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001207513545 1034419637 /nfs/dbraw/zinc/41/96/37/1034419637.db2.gz ZJLAMLFFVSGAQN-VWNXMTODSA-N 1 0 378.491 3.872 20 30 GHEDRO N#Cc1cnn(-c2ccccc2Br)c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159312081 1034539685 /nfs/dbraw/zinc/53/96/85/1034539685.db2.gz WFMZVQPUBILKEV-UHFFFAOYSA-N 1 0 394.276 3.896 20 30 GHEDRO N#Cc1cc(Nc2cnc3c(Br)cccc3n2)cc(C2C[NH2+]C2)c1 ZINC001159372416 1034569042 /nfs/dbraw/zinc/56/90/42/1034569042.db2.gz RFFWUXHRKCRZGC-UHFFFAOYSA-N 1 0 380.249 3.694 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC(C[N@@H+]3CCC4SC(=O)C=C4C3)C2)CC1 ZINC001207803594 1034583668 /nfs/dbraw/zinc/58/36/68/1034583668.db2.gz BDZOFUDQZQFFQS-QGZVFWFLSA-N 1 0 392.565 3.688 20 30 GHEDRO COC(=O)c1cc(Br)ccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159492025 1034619680 /nfs/dbraw/zinc/61/96/80/1034619680.db2.gz QEEBITDGETWRAP-UHFFFAOYSA-N 1 0 386.249 3.538 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCCC4CCCC4)C3)C2)n1 ZINC001208089057 1034731476 /nfs/dbraw/zinc/73/14/76/1034731476.db2.gz ZLJNGUHQWZSBQY-QHCPKHFHSA-N 1 0 382.552 3.842 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CCCn2cnc(COCC(=O)N(C)C)c2C1 ZINC001208118134 1034745646 /nfs/dbraw/zinc/74/56/46/1034745646.db2.gz DRMZWWFBENGWPL-ZHACJKMWSA-N 1 0 390.572 3.610 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001208120002 1034747741 /nfs/dbraw/zinc/74/77/41/1034747741.db2.gz KMRJHIRZDXNJJX-GQJKEJQASA-N 1 0 392.584 3.678 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(C)c(Br)cc1F)CC2 ZINC001276557759 1034749128 /nfs/dbraw/zinc/74/91/28/1034749128.db2.gz GMHCMAQFUKGKEZ-HNNXBMFYSA-N 1 0 395.316 3.801 20 30 GHEDRO N#Cc1cc(I)ccc1Nc1cccc2c1CC[NH2+]C2 ZINC001159826005 1034755138 /nfs/dbraw/zinc/75/51/38/1034755138.db2.gz GXIAHGKRWBMRSF-UHFFFAOYSA-N 1 0 375.213 3.552 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)c(F)c(Cl)c3)CC2)C1=O ZINC001277536840 1034771883 /nfs/dbraw/zinc/77/18/83/1034771883.db2.gz OANCIMNVUJBMRO-LJQANCHMSA-N 1 0 383.294 3.970 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)c1 ZINC001231622236 1034779738 /nfs/dbraw/zinc/77/97/38/1034779738.db2.gz UCPWYQLKAHKGPO-UHFFFAOYSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c1 ZINC001231623316 1034782625 /nfs/dbraw/zinc/78/26/25/1034782625.db2.gz BIPQQWHAMJCICC-UHFFFAOYSA-N 1 0 376.500 3.706 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001159947530 1034797192 /nfs/dbraw/zinc/79/71/92/1034797192.db2.gz DSBRFSCXPKJBON-CQSZACIVSA-N 1 0 387.487 3.698 20 30 GHEDRO N#Cc1cccc(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)c1F ZINC001159965423 1034807105 /nfs/dbraw/zinc/80/71/05/1034807105.db2.gz VYLATMGOGWQTOH-UHFFFAOYSA-N 1 0 378.373 3.865 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(Cl)c(C)c3F)C2)C1=O ZINC001277561516 1034882775 /nfs/dbraw/zinc/88/27/75/1034882775.db2.gz BHOUXOIJTCIRRU-HXUWFJFHSA-N 1 0 378.875 3.705 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2c3ccccc3OC[C@H]2C[NH3+])c1C#N ZINC001160198989 1034898734 /nfs/dbraw/zinc/89/87/34/1034898734.db2.gz IPJGPQDBMLSMCH-OAHLLOKOSA-N 1 0 389.484 3.595 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC001231816956 1034926236 /nfs/dbraw/zinc/92/62/36/1034926236.db2.gz FRHJKYWGNYRZME-QHCPKHFHSA-N 1 0 380.536 3.570 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@H]1c1ccccc1 ZINC001231817337 1034926705 /nfs/dbraw/zinc/92/67/05/1034926705.db2.gz ZSTOLVVRQYGPIZ-YADHBBJMSA-N 1 0 377.488 3.773 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001231816794 1034926710 /nfs/dbraw/zinc/92/67/10/1034926710.db2.gz SMURAQIJHIGZBU-UXHICEINSA-N 1 0 398.551 3.725 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCCN(C(=O)OC(C)(C)C)CCC2)cc1 ZINC001231820618 1034928451 /nfs/dbraw/zinc/92/84/51/1034928451.db2.gz HUUJLHPXBLTGFT-UHFFFAOYSA-N 1 0 386.540 3.869 20 30 GHEDRO C=CCOCc1ncn2c1CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)CCC2 ZINC001208585731 1034942613 /nfs/dbraw/zinc/94/26/13/1034942613.db2.gz OLRACQFAUCSNMI-JOCHJYFZSA-N 1 0 394.563 3.846 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H]2c2cc3ccccc3[nH]2)C1 ZINC001160497520 1034989476 /nfs/dbraw/zinc/98/94/76/1034989476.db2.gz AALWBMFGNDHHMX-CQLNOVPUSA-N 1 0 398.510 3.924 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@@H]([NH3+])CCCc3ccccc3)CC2)cc1 ZINC001160566715 1035004041 /nfs/dbraw/zinc/00/40/41/1035004041.db2.gz YIAUESKYOXNTMJ-QHCPKHFHSA-N 1 0 375.516 3.690 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c1 ZINC001208852606 1035059427 /nfs/dbraw/zinc/05/94/27/1035059427.db2.gz NPBDXUJNQZPLHF-TUNNFDKTSA-N 1 0 397.544 3.644 20 30 GHEDRO COc1cc(C(F)(F)n2cc(C[NH3+])c3c2cccc3OC)c(C#N)c(Cl)n1 ZINC001160763466 1035061974 /nfs/dbraw/zinc/06/19/74/1035061974.db2.gz ACXZWGKWPQXWRD-UHFFFAOYSA-N 1 0 392.793 3.635 20 30 GHEDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208861273 1035064928 /nfs/dbraw/zinc/06/49/28/1035064928.db2.gz GYIFLSRQIPDLPJ-HSZRJFAPSA-N 1 0 387.527 3.971 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC001208862335 1035065035 /nfs/dbraw/zinc/06/50/35/1035065035.db2.gz VQKRMNPKRLWTAW-OAQYLSRUSA-N 1 0 397.473 3.519 20 30 GHEDRO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208862326 1035065107 /nfs/dbraw/zinc/06/51/07/1035065107.db2.gz IEULPTRQVIRVME-QFIPXVFZSA-N 1 0 375.516 3.832 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](CCCc3ccc(C#N)cc3)C2)cc1 ZINC001208864096 1035065469 /nfs/dbraw/zinc/06/54/69/1035065469.db2.gz NQKPRQXXDVXUQI-QHCPKHFHSA-N 1 0 391.515 3.784 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+](CCCc3ccc(C#N)cc3)CC2)cc1 ZINC001208864415 1035065963 /nfs/dbraw/zinc/06/59/63/1035065963.db2.gz SEEZSHAKTYIOEE-UHFFFAOYSA-N 1 0 392.503 3.786 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](CCCc2ccc(C#N)cc2)CCC1(F)F ZINC001208864926 1035065997 /nfs/dbraw/zinc/06/59/97/1035065997.db2.gz ZOCLJARRELJCOM-KRWDZBQOSA-N 1 0 379.451 3.725 20 30 GHEDRO Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](CCc2ccc(C#N)cc2)CCO3)c1 ZINC001208922966 1035090222 /nfs/dbraw/zinc/09/02/22/1035090222.db2.gz MINRXFGJIOVDBI-DEOSSOPVSA-N 1 0 375.516 3.781 20 30 GHEDRO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001160936486 1035098302 /nfs/dbraw/zinc/09/83/02/1035098302.db2.gz XMJLMGALQUYJPT-GSLIJJQTSA-N 1 0 393.490 3.831 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(C#N)c(Cl)c4)C3)CC2=O)cc1 ZINC001232113687 1035102227 /nfs/dbraw/zinc/10/22/27/1035102227.db2.gz ZCYOGOKUANOBAK-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC001160994390 1035114583 /nfs/dbraw/zinc/11/45/83/1035114583.db2.gz VIPPUURIVLLPHZ-HSZRJFAPSA-N 1 0 385.511 3.655 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161243481 1035190540 /nfs/dbraw/zinc/19/05/40/1035190540.db2.gz QHEHOMHXNIZFLJ-UHFFFAOYSA-N 1 0 391.853 3.553 20 30 GHEDRO C=CCN(C(=O)[C@@H]([NH3+])Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CCCCC1 ZINC001161247772 1035192320 /nfs/dbraw/zinc/19/23/20/1035192320.db2.gz JRWNSKVDXPXJMQ-FQEVSTJZSA-N 1 0 386.536 3.859 20 30 GHEDRO C=CCCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cncc(C)c32)[C@@H](C)C1 ZINC001209163105 1035196564 /nfs/dbraw/zinc/19/65/64/1035196564.db2.gz TZGMOFCBAUXUIL-SFHVURJKSA-N 1 0 387.549 3.594 20 30 GHEDRO C=CCCCC[N@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 ZINC001209200534 1035207012 /nfs/dbraw/zinc/20/70/12/1035207012.db2.gz LAHNNCZJJMIKOI-UYAOXDASSA-N 1 0 396.984 3.922 20 30 GHEDRO C=CCCCC[NH+]1CCN([C@@H](c2ccccc2)c2nc(OC)cc(OC)n2)CC1 ZINC001209203551 1035207240 /nfs/dbraw/zinc/20/72/40/1035207240.db2.gz ZCEOERHWAKKGEF-QFIPXVFZSA-N 1 0 396.535 3.557 20 30 GHEDRO C#CCCC[N@@H+]1CCCn2cnc(CN(C(=O)OC(C)(C)C)C3CCC3)c2C1 ZINC001209266723 1035227167 /nfs/dbraw/zinc/22/71/67/1035227167.db2.gz BCFOXQLPKXLNFY-UHFFFAOYSA-N 1 0 386.540 3.792 20 30 GHEDRO N#Cc1ncc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)nc1C#N ZINC001161460551 1035235391 /nfs/dbraw/zinc/23/53/91/1035235391.db2.gz GGAJNTSWYAOLOE-LEWJYISDSA-N 1 0 394.482 3.690 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(NC3(Cc4ccccn4)CC[NH2+]CC3)nc21 ZINC001161496450 1035241285 /nfs/dbraw/zinc/24/12/85/1035241285.db2.gz OQVFLPYJDKVGGC-UHFFFAOYSA-N 1 0 375.520 3.739 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001209357934 1035251643 /nfs/dbraw/zinc/25/16/43/1035251643.db2.gz RMOGWYSENWQABP-UGKGYDQZSA-N 1 0 396.572 3.898 20 30 GHEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCC([NH3+])(CC2CCC2)CC1 ZINC001161576637 1035263047 /nfs/dbraw/zinc/26/30/47/1035263047.db2.gz SOEZPUZVQVXVFT-UHFFFAOYSA-N 1 0 399.611 3.585 20 30 GHEDRO C[C@@H]1CC(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[C@@H](C)O1 ZINC001209389506 1035266339 /nfs/dbraw/zinc/26/63/39/1035266339.db2.gz UQTDPWVSEBXLIB-REHUZNOOSA-N 1 0 397.563 3.681 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(CC1)OCC(=O)N(Cc1csc(C)n1)[C@H]2C ZINC001209423503 1035271969 /nfs/dbraw/zinc/27/19/69/1035271969.db2.gz VWFBGIAVGBWDCJ-KRWDZBQOSA-N 1 0 391.581 3.780 20 30 GHEDRO C=CCCCCCC[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001209437053 1035273965 /nfs/dbraw/zinc/27/39/65/1035273965.db2.gz FGWXPIKWIXQPCU-SBHAEUEKSA-N 1 0 380.548 3.668 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c(C)[nH]c3ncccc23)CC1 ZINC001209589854 1035320678 /nfs/dbraw/zinc/32/06/78/1035320678.db2.gz INHHDFHQGITRQD-UHFFFAOYSA-N 1 0 376.460 3.795 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(CCCC2CC[NH2+]CC2)n1 ZINC001248217855 1035650047 /nfs/dbraw/zinc/65/00/47/1035650047.db2.gz QADIPELFXKRWPW-UHFFFAOYSA-N 1 0 375.270 3.693 20 30 GHEDRO CC[NH+]1CCN(c2ccc(-c3cc(OC)c(OC)cc3CCC#N)cc2)CC1 ZINC001241744014 1035669131 /nfs/dbraw/zinc/66/91/31/1035669131.db2.gz ZXWKKVHNYGWWDC-UHFFFAOYSA-N 1 0 379.504 3.969 20 30 GHEDRO C#Cc1cccc(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)c1 ZINC001241916750 1035747860 /nfs/dbraw/zinc/74/78/60/1035747860.db2.gz HTOHUEIQSYXSAI-SFHVURJKSA-N 1 0 391.515 3.529 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2cccc([C@@H](C#N)C(=O)OC(C)(C)C)n2)cc1 ZINC001242148726 1035832286 /nfs/dbraw/zinc/83/22/86/1035832286.db2.gz OOAUKCYEGHQEPN-GOSISDBHSA-N 1 0 381.476 3.638 20 30 GHEDRO N#Cc1cc(F)ccc1-c1cc(N2CCC[C@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001242582082 1035925956 /nfs/dbraw/zinc/92/59/56/1035925956.db2.gz LEOQSSDZYGWDQP-KRWDZBQOSA-N 1 0 389.434 3.874 20 30 GHEDRO C[C@@H](NC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1cccc(C#N)c1 ZINC001248682444 1036049988 /nfs/dbraw/zinc/04/99/88/1036049988.db2.gz WWIFVFOQMVVDPF-XANCMCCPSA-N 1 0 388.515 3.783 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001248749905 1036106372 /nfs/dbraw/zinc/10/63/72/1036106372.db2.gz PVCLSLUZLXSMSS-QHCPKHFHSA-N 1 0 377.463 3.889 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(Oc2ccc(C(=O)OC)cc2)CC1 ZINC001248751347 1036110571 /nfs/dbraw/zinc/11/05/71/1036110571.db2.gz TZDIUTPZABKDBP-UHFFFAOYSA-N 1 0 378.472 3.951 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(Cl)c1OC)C2 ZINC001248797787 1036168260 /nfs/dbraw/zinc/16/82/60/1036168260.db2.gz SBHCLRBXFJYQER-RXVVDRJESA-N 1 0 395.927 3.931 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1cc(C(F)(F)F)ccc1CC#N ZINC001244290532 1036465373 /nfs/dbraw/zinc/46/53/73/1036465373.db2.gz MECRLNRFEGMUGN-UHFFFAOYSA-N 1 0 375.394 3.857 20 30 GHEDRO N#Cc1cc(-c2ccnc(C3=CC[C@@H]([NH+]4CCOCC4)CC3)n2)c(F)cc1F ZINC001245418103 1036915941 /nfs/dbraw/zinc/91/59/41/1036915941.db2.gz HCXZYWXFJRYNEN-MRXNPFEDSA-N 1 0 382.414 3.562 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@H]3CN(C(=S)Nc4ccc(C#N)cc4)C[C@@H]3C2)cc1 ZINC001245890259 1037044568 /nfs/dbraw/zinc/04/45/68/1037044568.db2.gz KKDDLPNLFFZDDP-PMACEKPBSA-N 1 0 376.529 3.627 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC001245934095 1037064004 /nfs/dbraw/zinc/06/40/04/1037064004.db2.gz NNFIBCJEMPIHFV-UHFFFAOYSA-N 1 0 378.545 3.799 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN[C@@]1(C)CC[NH2+]C1 ZINC001245988526 1037112908 /nfs/dbraw/zinc/11/29/08/1037112908.db2.gz CZHXMSAIWALRAF-YADHBBJMSA-N 1 0 386.621 3.643 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CCC[NH2+]CC1 ZINC001246015199 1037135647 /nfs/dbraw/zinc/13/56/47/1037135647.db2.gz USCIBHADWHYRGH-QFIPXVFZSA-N 1 0 386.621 3.597 20 30 GHEDRO N#CCCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)C1CCCCCCC1 ZINC001246042291 1037157529 /nfs/dbraw/zinc/15/75/29/1037157529.db2.gz FHXWMCFYQOQXIP-LEWJYISDSA-N 1 0 379.495 3.524 20 30 GHEDRO C[NH2+]CC[C@@H](C)NC(=[NH2+])c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001246296817 1037283271 /nfs/dbraw/zinc/28/32/71/1037283271.db2.gz UGXYKQPRBCTKTQ-GFCCVEGCSA-N 1 0 387.530 3.885 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCN[C@@H](c4ccccc4)C3)CC2)C1 ZINC001246527202 1037460100 /nfs/dbraw/zinc/46/01/00/1037460100.db2.gz SROIHFMXSOSIMM-FCHUYYIVSA-N 1 0 397.563 3.980 20 30 GHEDRO CCCCCCCCNC(=S)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001247176903 1037970322 /nfs/dbraw/zinc/97/03/22/1037970322.db2.gz SSMBVNSUVADMCE-UHFFFAOYSA-N 1 0 391.625 3.838 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)C2 ZINC001232578772 1038346761 /nfs/dbraw/zinc/34/67/61/1038346761.db2.gz TXJKYKXGIUTDDT-CTNGQTDRSA-N 1 0 393.911 3.700 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001232607205 1038389751 /nfs/dbraw/zinc/38/97/51/1038389751.db2.gz FZUIMHNSXMPLDB-YPAWHYETSA-N 1 0 397.906 3.945 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc([C@H]3CC4(CC[NH2+]CC4)c4ccccc4O3)n2)c1 ZINC001247893083 1038465449 /nfs/dbraw/zinc/46/54/49/1038465449.db2.gz CRJZNECRZUKGCY-LJQANCHMSA-N 1 0 390.418 3.892 20 30 GHEDRO COC(=O)c1cccc2c(C[N@@H+]3CCC[C@H](Oc4ccccc4C#N)C3)c[nH]c21 ZINC001232709952 1038509545 /nfs/dbraw/zinc/50/95/45/1038509545.db2.gz JGLUKBKUSLKIMA-SFHVURJKSA-N 1 0 389.455 3.870 20 30 GHEDRO COC(=O)c1cccc2c(C[N@@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)c[nH]c21 ZINC001232710949 1038511238 /nfs/dbraw/zinc/51/12/38/1038511238.db2.gz VBXCKBPRUUHIAW-LJQANCHMSA-N 1 0 389.455 3.870 20 30 GHEDRO C=CCN1C(=O)CCC12CCN(Cc1ccc(C(F)(F)F)nc1Cl)CC2 ZINC001232792385 1038559269 /nfs/dbraw/zinc/55/92/69/1038559269.db2.gz ZICXGUWMCNZPSE-UHFFFAOYSA-N 1 0 387.833 3.897 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C#N)s3)CC2)c2ccccc21 ZINC001232843601 1038595241 /nfs/dbraw/zinc/59/52/41/1038595241.db2.gz RXMBVKQHAMDJTN-INIZCTEOSA-N 1 0 379.529 3.777 20 30 GHEDRO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001232844479 1038596474 /nfs/dbraw/zinc/59/64/74/1038596474.db2.gz QTPSDQRRUPZCEE-KDOFPFPSSA-N 1 0 378.476 3.931 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)c(C#N)c2)C[C@@H]1c1ccccc1 ZINC001232896830 1038692040 /nfs/dbraw/zinc/69/20/40/1038692040.db2.gz IAXBNNAWMACMBZ-QZTJIDSGSA-N 1 0 399.288 3.709 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)n3)C[C@@H]2c2ccccc21 ZINC001232922128 1038712612 /nfs/dbraw/zinc/71/26/12/1038712612.db2.gz DBSSXTZOOSMBEW-UZLBHIALSA-N 1 0 390.487 3.924 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001277736029 1038713564 /nfs/dbraw/zinc/71/35/64/1038713564.db2.gz ZOGSATBMKINWAD-WMZOPIPTSA-N 1 0 378.479 3.727 20 30 GHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC001232981438 1038748520 /nfs/dbraw/zinc/74/85/20/1038748520.db2.gz FGDZPRRVPYWHSW-UHFFFAOYSA-N 1 0 389.540 3.847 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC001252046031 1038830630 /nfs/dbraw/zinc/83/06/30/1038830630.db2.gz XKVWSKRCOIQZPF-UHFFFAOYSA-N 1 0 382.533 3.818 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCOC[C@H]2NC(=O)C(C)C)CC1 ZINC001252127743 1038878788 /nfs/dbraw/zinc/87/87/88/1038878788.db2.gz DSEUWMZPVGPQRR-NHCUHLMSSA-N 1 0 396.616 3.741 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001252128751 1038880362 /nfs/dbraw/zinc/88/03/62/1038880362.db2.gz QGYIKWWHCUXBNN-CEXWTWQISA-N 1 0 393.597 3.649 20 30 GHEDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(N(C)C)c(C#N)c1F)CC2 ZINC001233103126 1038886038 /nfs/dbraw/zinc/88/60/38/1038886038.db2.gz XJIOUUPAMOXAKW-QGZVFWFLSA-N 1 0 387.499 3.709 20 30 GHEDRO CC[N@H+](C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 ZINC001252313926 1038939517 /nfs/dbraw/zinc/93/95/17/1038939517.db2.gz SNUSGBSKMMHWFK-LJQANCHMSA-N 1 0 397.441 3.921 20 30 GHEDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340797 1038947531 /nfs/dbraw/zinc/94/75/31/1038947531.db2.gz VGFXWGMVOQPOSL-LXIYXOSZSA-N 1 0 385.430 3.681 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@H](O)C[NH2+]CCn1cnnc1 ZINC001252372505 1038961352 /nfs/dbraw/zinc/96/13/52/1038961352.db2.gz IRGYAORGHYRZCI-OAQYLSRUSA-N 1 0 382.593 3.946 20 30 GHEDRO C=CCOC[C@@H](O)C[NH+]1CCC2(CCc3cc(-c4cccnc4)ccc32)CC1 ZINC001252462913 1038998263 /nfs/dbraw/zinc/99/82/63/1038998263.db2.gz KLQUGVFKGYMMOK-QFIPXVFZSA-N 1 0 378.516 3.592 20 30 GHEDRO C=CCOC[C@@H](O)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252470995 1038999460 /nfs/dbraw/zinc/99/94/60/1038999460.db2.gz AQDVDNGANFAYLJ-FHWLQOOXSA-N 1 0 398.588 3.734 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC(=O)OC)c1ccc(OCc2ccccc2)cc1 ZINC001252617298 1039050342 /nfs/dbraw/zinc/05/03/42/1039050342.db2.gz CBBYDAFLRRXNED-IRLDBZIGSA-N 1 0 383.488 3.787 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]C1(c2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252621666 1039052614 /nfs/dbraw/zinc/05/26/14/1039052614.db2.gz FWAREZMXLUQSLD-LJQANCHMSA-N 1 0 392.515 3.969 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(OC)c3O)C2)C1 ZINC001233287622 1039065822 /nfs/dbraw/zinc/06/58/22/1039065822.db2.gz ZZNKDZXLRPAFRI-HXUWFJFHSA-N 1 0 394.899 3.665 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(OC)cc1F)[C@@H]2CC ZINC001233342013 1039149559 /nfs/dbraw/zinc/14/95/59/1039149559.db2.gz LFKANLCOPZFVPM-CTNGQTDRSA-N 1 0 378.463 3.895 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CCCN2CC(=O)NC)CC1 ZINC001252978433 1039307288 /nfs/dbraw/zinc/30/72/88/1039307288.db2.gz BXMRJWSJRFSSJG-OAQYLSRUSA-N 1 0 395.632 3.555 20 30 GHEDRO CC[NH+](CC)C[C@@H](O)CN1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253193756 1039469353 /nfs/dbraw/zinc/46/93/53/1039469353.db2.gz IUKHEJUSJLDETQ-DNQXCXABSA-N 1 0 391.559 3.521 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)OCCN2C(=O)OC(C)(C)C ZINC001253234542 1039487552 /nfs/dbraw/zinc/48/75/52/1039487552.db2.gz BRSBCTQILKHASM-UFYCRDLUSA-N 1 0 396.572 3.584 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001253234370 1039488032 /nfs/dbraw/zinc/48/80/32/1039488032.db2.gz AEJLSAJRPZRPRD-UPVQGACJSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001253236089 1039489968 /nfs/dbraw/zinc/48/99/68/1039489968.db2.gz RFNCHTOCNBJSMU-IBGZPJMESA-N 1 0 376.589 3.771 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(N2CCC(C(=O)OCC)CC2)CC1 ZINC001253235557 1039490102 /nfs/dbraw/zinc/49/01/02/1039490102.db2.gz LVSJQSRVJKBYFD-JOCHJYFZSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)C(C)C)O2 ZINC001253238655 1039494316 /nfs/dbraw/zinc/49/43/16/1039494316.db2.gz GYBSFLQKFPVNPP-FUPPJEDESA-N 1 0 394.600 3.660 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[N@@H+](CC)C2)c1 ZINC001233702135 1039550811 /nfs/dbraw/zinc/55/08/11/1039550811.db2.gz AEMWMHWMAVRVKP-IBGZPJMESA-N 1 0 379.456 3.872 20 30 GHEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253424329 1039621374 /nfs/dbraw/zinc/62/13/74/1039621374.db2.gz CKPRWLMYMPKPLX-OAQYLSRUSA-N 1 0 380.488 3.505 20 30 GHEDRO COc1cc(/C=N/O)ccc1O[C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001233803899 1039629127 /nfs/dbraw/zinc/62/91/27/1039629127.db2.gz UVRCUZGXVADGHE-NXSNIQIJSA-N 1 0 381.885 3.657 20 30 GHEDRO CCCCCCCCCCCC[C@H](O)C[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001253563655 1039705407 /nfs/dbraw/zinc/70/54/07/1039705407.db2.gz MCBRYVXQFVDLCE-FQEVSTJZSA-N 1 0 382.589 3.639 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@@H](O)CC ZINC001253614885 1039724433 /nfs/dbraw/zinc/72/44/33/1039724433.db2.gz WXKYBOHPDMOZIG-SFTDATJTSA-N 1 0 375.594 3.662 20 30 GHEDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccccc3C=NNc3ccccc3)C[C@H]1[N@@H+]2C ZINC001234081994 1039820291 /nfs/dbraw/zinc/82/02/91/1039820291.db2.gz PHXMKFYIBNPVGF-NNXSRULWSA-N 1 0 393.487 3.678 20 30 GHEDRO CC1=CC(=O)C[C@@H](c2ccc(O[C@H]3COCC[N@H+](Cc4ccccc4)C3)cc2)O1 ZINC001234166502 1039902871 /nfs/dbraw/zinc/90/28/71/1039902871.db2.gz SKSCYOXIXOAWPZ-RPWUZVMVSA-N 1 0 393.483 3.901 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1sc(Br)cc1C)CC2 ZINC001277841024 1039933043 /nfs/dbraw/zinc/93/30/43/1039933043.db2.gz NRHYYPPZNXXTJC-UHFFFAOYSA-N 1 0 395.366 3.657 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001277841456 1039936476 /nfs/dbraw/zinc/93/64/76/1039936476.db2.gz UEHVRBKWNPMLHW-WMZOPIPTSA-N 1 0 376.463 3.503 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001254203584 1040054287 /nfs/dbraw/zinc/05/42/87/1040054287.db2.gz YWPONCIAEDGHGB-IPJJNNNSSA-N 1 0 394.556 3.602 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1=O ZINC001254253456 1040100007 /nfs/dbraw/zinc/10/00/07/1040100007.db2.gz MUQCNFGAAJVSRX-HXUWFJFHSA-N 1 0 397.519 3.739 20 30 GHEDRO CCOC(=O)c1nc2c(o1)CCN(C1CCC(C#N)(c3ccc(F)cc3)CC1)C2 ZINC001254358722 1040191017 /nfs/dbraw/zinc/19/10/17/1040191017.db2.gz JXVOCIJOZKJYEI-UHFFFAOYSA-N 1 0 397.450 3.753 20 30 GHEDRO O=C1C=C[C@H](Oc2cccc3c2[C@@]24CC[N@H+](CC5CC5)[C@@H](C3)[C@H]2CCC(=O)C4)C1 ZINC001234708552 1040239798 /nfs/dbraw/zinc/23/97/98/1040239798.db2.gz OWRFCCSQWMKUHB-XOEOCAAJSA-N 1 0 391.511 3.610 20 30 GHEDRO O=C1C=C[C@@H](Oc2cccc3c2[C@@]24CC[N@H+](CC5CC5)[C@@H](C3)[C@H]2CCC(=O)C4)C1 ZINC001234710257 1040242447 /nfs/dbraw/zinc/24/24/47/1040242447.db2.gz OWRFCCSQWMKUHB-ILSIFQBBSA-N 1 0 391.511 3.610 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001462457300 1070265842 /nfs/dbraw/zinc/26/58/42/1070265842.db2.gz VOJFEIQFDSMNDD-UHFFFAOYSA-N 1 0 380.454 3.883 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254646909 1040416122 /nfs/dbraw/zinc/41/61/22/1040416122.db2.gz CYVPODZXHNOLEX-CBYWYSCWSA-N 1 0 381.476 3.737 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(Br)cc3)CC2)C1 ZINC001254656631 1040423429 /nfs/dbraw/zinc/42/34/29/1040423429.db2.gz KPPZZLKCHAHHDQ-XDKFSHSGSA-N 1 0 390.325 3.772 20 30 GHEDRO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO3)cs1 ZINC001254663875 1040425314 /nfs/dbraw/zinc/42/53/14/1040425314.db2.gz SILQIIIVFMXIJI-PIKOESSRSA-N 1 0 375.538 3.532 20 30 GHEDRO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)C1 ZINC001254665042 1040426584 /nfs/dbraw/zinc/42/65/84/1040426584.db2.gz LKEYWODCNZZCOK-HJBWUJCXSA-N 1 0 386.499 3.596 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+]CC#Cc3ccccc3)CC2)C1 ZINC001254717712 1040476186 /nfs/dbraw/zinc/47/61/86/1040476186.db2.gz RXMOFZNKUFOGHV-UHFFFAOYSA-N 1 0 384.520 3.576 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc(Oc4cccnc4)cc3)C2)C1=O ZINC001235111468 1040596189 /nfs/dbraw/zinc/59/61/89/1040596189.db2.gz HVFMUWLEMQKDRG-QHCPKHFHSA-N 1 0 377.488 3.874 20 30 GHEDRO COCCc1ccc(OC[C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1 ZINC001462482225 1070291107 /nfs/dbraw/zinc/29/11/07/1070291107.db2.gz BYLJWBLBNQIUFH-LJQANCHMSA-N 1 0 393.531 3.773 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235354762 1040833790 /nfs/dbraw/zinc/83/37/90/1040833790.db2.gz HAPBBYJZCQLIKS-TZIWHRDSSA-N 1 0 396.332 3.900 20 30 GHEDRO N#Cc1cccc(N2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001255151047 1040872161 /nfs/dbraw/zinc/87/21/61/1040872161.db2.gz RIAOKJITLJCKJM-QEIWAGNOSA-N 1 0 386.543 3.876 20 30 GHEDRO CC[C@@H](CC#N)[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255169944 1040884042 /nfs/dbraw/zinc/88/40/42/1040884042.db2.gz MDOKBNXHQOEHAT-WPFOTENUSA-N 1 0 388.515 3.592 20 30 GHEDRO Cn1cc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c2cc(C#N)ccc21 ZINC001235379991 1040900550 /nfs/dbraw/zinc/90/05/50/1040900550.db2.gz IOQYLDFATNHETF-RCZVLFRGSA-N 1 0 384.527 3.803 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)co3)CC2)C1=O ZINC001277949729 1040964466 /nfs/dbraw/zinc/96/44/66/1040964466.db2.gz ZRLNDOXNNVWGOZ-SFHVURJKSA-N 1 0 394.313 3.550 20 30 GHEDRO CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)C1 ZINC001255371558 1040966873 /nfs/dbraw/zinc/96/68/73/1040966873.db2.gz PGFNWPYPOBOVQS-MSOLQXFVSA-N 1 0 386.492 3.532 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC001235519047 1040973824 /nfs/dbraw/zinc/97/38/24/1040973824.db2.gz QIUHHMSVGWRZNV-QFIPXVFZSA-N 1 0 391.515 3.845 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](C#N)(N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255385613 1040974610 /nfs/dbraw/zinc/97/46/10/1040974610.db2.gz IWZIHJAXMOKSAM-REWPJTCUSA-N 1 0 398.551 3.534 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccn1C(=O)OC(C)(C)C)C2 ZINC001235624408 1041050492 /nfs/dbraw/zinc/05/04/92/1041050492.db2.gz BFONYMPLEHFWJS-KNQAVFIVSA-N 1 0 390.524 3.845 20 30 GHEDRO N#Cc1cccc2c(CN3CC[NH2+][C@@H](c4cccc(Br)c4)C3)c[nH]c21 ZINC001235790569 1041280225 /nfs/dbraw/zinc/28/02/25/1041280225.db2.gz HNCXEDZGHCOKCB-LJQANCHMSA-N 1 0 395.304 3.949 20 30 GHEDRO N#Cc1c(F)cc(CN2CC[NH2+][C@H](c3cccc(Br)c3)C2)cc1F ZINC001235794553 1041291075 /nfs/dbraw/zinc/29/10/75/1041291075.db2.gz VJICLKHOLJYDGV-SFHVURJKSA-N 1 0 392.247 3.745 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)C1 ZINC001255913385 1041397373 /nfs/dbraw/zinc/39/73/73/1041397373.db2.gz BIXWOHPSKRKCLM-GOSISDBHSA-N 1 0 385.508 3.801 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001235980143 1041484125 /nfs/dbraw/zinc/48/41/25/1041484125.db2.gz UVASMOFMFITJRV-AZUOUTSGSA-N 1 0 398.576 3.772 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4C[C@@]4([NH3+])C3)c2)cc1 ZINC001236023015 1041511078 /nfs/dbraw/zinc/51/10/78/1041511078.db2.gz FMRNHQJBJRJQAR-DNVCBOLYSA-N 1 0 384.277 3.646 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001256080602 1041512829 /nfs/dbraw/zinc/51/28/29/1041512829.db2.gz ZTUMQRUSBGGWKG-UHFFFAOYSA-N 1 0 388.353 3.933 20 30 GHEDRO CCN(CC)C(=O)c1cc(-c2ncc3c(c2C#N)CCC[NH2+]C3)ccc1Cl ZINC001236136905 1041562101 /nfs/dbraw/zinc/56/21/01/1041562101.db2.gz PUQCMFPLVKBCRJ-UHFFFAOYSA-N 1 0 382.895 3.791 20 30 GHEDRO C[C@H]1CNCC(F)(F)[C@@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001236314798 1041668854 /nfs/dbraw/zinc/66/88/54/1041668854.db2.gz OCSCXCSIBQNUDX-HTAPYJJXSA-N 1 0 394.469 3.923 20 30 GHEDRO Cn1cc(CN(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001236358578 1041681433 /nfs/dbraw/zinc/68/14/33/1041681433.db2.gz YOJWLWOUCADICZ-HXUWFJFHSA-N 1 0 376.479 3.943 20 30 GHEDRO N#Cc1c(N)sc(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)c1Cl ZINC001236389224 1041694568 /nfs/dbraw/zinc/69/45/68/1041694568.db2.gz LBUKZGLBTGOXKN-CQSZACIVSA-N 1 0 378.904 3.749 20 30 GHEDRO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(SC(F)(F)F)c1)CC2 ZINC001278000466 1041849931 /nfs/dbraw/zinc/84/99/31/1041849931.db2.gz IIWQUMPHULJDBK-MRXNPFEDSA-N 1 0 382.451 3.650 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OC(F)F)cc1F)CC2 ZINC001236717366 1041852916 /nfs/dbraw/zinc/85/29/16/1041852916.db2.gz ZRPIDUVRDXVQEH-UHFFFAOYSA-N 1 0 384.398 3.648 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(O)cc(OC)cc1Cl)CC2 ZINC001236797300 1041901480 /nfs/dbraw/zinc/90/14/80/1041901480.db2.gz LKCINISDUYJTMI-FQEVSTJZSA-N 1 0 378.900 3.587 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)c(Cl)c1)C2 ZINC001236909943 1041952630 /nfs/dbraw/zinc/95/26/30/1041952630.db2.gz VJOKPJYCOAIREK-NQIIRXRSSA-N 1 0 387.911 3.852 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(-c4ccccc4F)nc3)C2)C1=O ZINC001236988683 1041980074 /nfs/dbraw/zinc/98/00/74/1041980074.db2.gz KVKBDLBOOQOVLD-QHCPKHFHSA-N 1 0 379.479 3.888 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OCC)cc3O)CC2)C1 ZINC001237044671 1042003853 /nfs/dbraw/zinc/00/38/53/1042003853.db2.gz MCXAXMZNJFAXPR-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cnc(-c5ccccc5)o4)C3)CC2=O)c1 ZINC001237364898 1042172838 /nfs/dbraw/zinc/17/28/38/1042172838.db2.gz WOHNZXIOGXQMOU-DEOSSOPVSA-N 1 0 398.466 3.842 20 30 GHEDRO N#Cc1cc(C[N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccn1 ZINC001237461974 1042217819 /nfs/dbraw/zinc/21/78/19/1042217819.db2.gz GCQQRSMHFYMVHT-XMMPIXPASA-N 1 0 396.494 3.757 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c2cc(C#N)ccc21 ZINC001237466991 1042220119 /nfs/dbraw/zinc/22/01/19/1042220119.db2.gz QFOQZYVDTWUVPT-SFHVURJKSA-N 1 0 382.508 3.929 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c2cc(C#N)ccc21 ZINC001237471194 1042222647 /nfs/dbraw/zinc/22/26/47/1042222647.db2.gz QCMHOTTYHCTGAB-UHFFFAOYSA-N 1 0 394.519 3.883 20 30 GHEDRO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473836 1042224754 /nfs/dbraw/zinc/22/47/54/1042224754.db2.gz WHZPOTGKGKLXEY-YJBOKZPZSA-N 1 0 382.508 3.928 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c2cc(C#N)ccc21 ZINC001237473757 1042224764 /nfs/dbraw/zinc/22/47/64/1042224764.db2.gz UEFVWMKTNJUEJT-XZOQPEGZSA-N 1 0 386.499 3.674 20 30 GHEDRO CC[N@@H+](Cc1cc(C#N)c(F)cc1F)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237535623 1042254549 /nfs/dbraw/zinc/25/45/49/1042254549.db2.gz BDHJJKVJWQJVCG-CQSZACIVSA-N 1 0 379.451 3.915 20 30 GHEDRO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn2cc(C#N)ccc2n1 ZINC001237607448 1042278807 /nfs/dbraw/zinc/27/88/07/1042278807.db2.gz WYYMNTGEKDFQCZ-ACDBMABISA-N 1 0 389.507 3.597 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)cc(C(F)(F)F)cc3F)C2)C1=O ZINC001237715712 1042339678 /nfs/dbraw/zinc/33/96/78/1042339678.db2.gz XJOHHHIEVFQFRU-GOSISDBHSA-N 1 0 388.380 3.984 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cccc(OC)c1Br)CC2 ZINC001237860442 1042398052 /nfs/dbraw/zinc/39/80/52/1042398052.db2.gz ODQNFEQOKQAGSB-UHFFFAOYSA-N 1 0 393.325 3.601 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1[nH]c(-c3ccc[nH]3)cc1OC)C2 ZINC001237879750 1042406709 /nfs/dbraw/zinc/40/67/09/1042406709.db2.gz VISCBBNLWUSVDH-JOCHJYFZSA-N 1 0 382.508 3.552 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](Cc3ccc(COc4ccccc4)cc3)CC2)c1 ZINC001237919123 1042422660 /nfs/dbraw/zinc/42/26/60/1042422660.db2.gz DPFDTGRIAUTLJZ-UHFFFAOYSA-N 1 0 384.483 3.854 20 30 GHEDRO CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc1F ZINC001237957877 1042437766 /nfs/dbraw/zinc/43/77/66/1042437766.db2.gz GNTZIFAYJDYKQM-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238014260 1042459686 /nfs/dbraw/zinc/45/96/86/1042459686.db2.gz OIDWEGQNVXINST-SIKLNZKXSA-N 1 0 381.476 3.595 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccccc1Oc1cnccn1)C2 ZINC001238015754 1042460301 /nfs/dbraw/zinc/46/03/01/1042460301.db2.gz YVSNJZXRQKLWCS-FYYLOGMGSA-N 1 0 395.503 3.843 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc(F)cc1Cl)CC2 ZINC001238021264 1042462255 /nfs/dbraw/zinc/46/22/55/1042462255.db2.gz BJPYVNNXHJIFCZ-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c(Cl)c1 ZINC001238082211 1042485251 /nfs/dbraw/zinc/48/52/51/1042485251.db2.gz IKEZEXLAMWKNBR-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]2C1 ZINC001238082171 1042485319 /nfs/dbraw/zinc/48/53/19/1042485319.db2.gz FWDHIESLROWYPW-NVXWUHKLSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001238082158 1042485565 /nfs/dbraw/zinc/48/55/65/1042485565.db2.gz HXKFXEMDYDADNC-UYAOXDASSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c(Cl)c1 ZINC001238083574 1042485959 /nfs/dbraw/zinc/48/59/59/1042485959.db2.gz UTWKHEAUCMPHAX-FQEVSTJZSA-N 1 0 397.906 3.947 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CC[C@@H]3NC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001238417194 1042589412 /nfs/dbraw/zinc/58/94/12/1042589412.db2.gz OZYMUSMQCLZIRY-IBGZPJMESA-N 1 0 385.508 3.836 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(C)cnc3SC)C2)C1 ZINC001238710144 1042694294 /nfs/dbraw/zinc/69/42/94/1042694294.db2.gz ADMHKBPZJHFVHX-FQEVSTJZSA-N 1 0 375.538 3.722 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)ccc1C#N ZINC001238763652 1042719632 /nfs/dbraw/zinc/71/96/32/1042719632.db2.gz UZOBSNIJGUWSJH-QHCPKHFHSA-N 1 0 377.463 3.889 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001239234633 1042792332 /nfs/dbraw/zinc/79/23/32/1042792332.db2.gz LTTRTFVQSVXKSC-FQEVSTJZSA-N 1 0 397.475 3.827 20 30 GHEDRO CCCCCCCCCCOC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001239327013 1042809251 /nfs/dbraw/zinc/80/92/51/1042809251.db2.gz LIZBBSGCCZQIBT-IBGZPJMESA-N 1 0 383.577 3.973 20 30 GHEDRO CCCCCCCNC(=S)Nc1ccc(C)cc1C(=O)NC1CC[NH2+]CC1 ZINC001239352314 1042812558 /nfs/dbraw/zinc/81/25/58/1042812558.db2.gz QXYHICOOKNMRNA-UHFFFAOYSA-N 1 0 390.597 3.734 20 30 GHEDRO CCCCCCCCCNC(=S)N[C@H](CC(=O)OCC)C1CC[NH2+]CC1 ZINC001239372579 1042815497 /nfs/dbraw/zinc/81/54/97/1042815497.db2.gz FMFNFQIGGXBXPA-GOSISDBHSA-N 1 0 385.618 3.523 20 30 GHEDRO N#Cc1cccc(NC(=S)NCC2(c3ccc(Cl)cc3)CC[NH2+]CC2)c1 ZINC001239382521 1042817954 /nfs/dbraw/zinc/81/79/54/1042817954.db2.gz QEYQXURXAPEALA-UHFFFAOYSA-N 1 0 384.936 3.819 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CC[NH2+]CC2)cc1 ZINC001239391899 1042821391 /nfs/dbraw/zinc/82/13/91/1042821391.db2.gz GOFFOZZGRVKHJG-UHFFFAOYSA-N 1 0 384.936 3.819 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[NH2+]C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC001239460745 1042832678 /nfs/dbraw/zinc/83/26/78/1042832678.db2.gz QBELEFDTXQDNAL-QGZVFWFLSA-N 1 0 390.434 3.920 20 30 GHEDRO N#Cc1c2c(cnc1-c1ccc(C(=O)NCc3ccccc3)cc1)C[NH2+]CCC2 ZINC001239905951 1042860346 /nfs/dbraw/zinc/86/03/46/1042860346.db2.gz UCAMCKIJMBRCNO-UHFFFAOYSA-N 1 0 382.467 3.586 20 30 GHEDRO N#CC1(c2cccc(-c3cccc(CC[NH+]4CCOCC4)c3)c2)CCOCC1 ZINC001240272943 1042915098 /nfs/dbraw/zinc/91/50/98/1042915098.db2.gz GHMPUMYXTAGPDN-UHFFFAOYSA-N 1 0 376.500 3.800 20 30 GHEDRO N#Cc1cc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc(C2C[NH2+]C2)c1 ZINC001240337955 1042922006 /nfs/dbraw/zinc/92/20/06/1042922006.db2.gz FSTMQMQTYCVBRW-UHFFFAOYSA-N 1 0 390.393 3.838 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)nc1 ZINC001240812076 1042955223 /nfs/dbraw/zinc/95/52/23/1042955223.db2.gz NOGINQRPTLKOIZ-UHFFFAOYSA-N 1 0 375.548 3.551 20 30 GHEDRO N#CC1(c2ccccc2-c2ccc(C3(N4CCOCC4)CC3)cc2)CC[NH2+]CC1 ZINC001240868449 1042960990 /nfs/dbraw/zinc/96/09/90/1042960990.db2.gz JJBICATYPDASQC-UHFFFAOYSA-N 1 0 387.527 3.820 20 30 GHEDRO Cn1ccc(-c2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC001240974885 1042967881 /nfs/dbraw/zinc/96/78/81/1042967881.db2.gz KZWLAFFJNKHZRL-UHFFFAOYSA-N 1 0 384.483 3.505 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1 ZINC001291136988 1043104333 /nfs/dbraw/zinc/10/43/33/1043104333.db2.gz IDKVJECQASPCFM-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCCC2)[C@H]1C ZINC001291155203 1043114160 /nfs/dbraw/zinc/11/41/60/1043114160.db2.gz NCOHPKTYXIYWQJ-OALUTQOASA-N 1 0 392.551 3.927 20 30 GHEDRO C=C[C@H](C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001291687259 1043394945 /nfs/dbraw/zinc/39/49/45/1043394945.db2.gz XEGBMRKDSMKHNO-DEOSSOPVSA-N 1 0 391.559 3.670 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001291766188 1043450387 /nfs/dbraw/zinc/45/03/87/1043450387.db2.gz AVZIOBVXADBKQS-SFHVURJKSA-N 1 0 380.540 3.805 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001291768770 1043453390 /nfs/dbraw/zinc/45/33/90/1043453390.db2.gz ZQFGKNQYHNGUJQ-UTKZUKDTSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H]1C)[NH+]1CCCC1 ZINC001292186006 1043618724 /nfs/dbraw/zinc/61/87/24/1043618724.db2.gz SNSDCGDQFFLNFH-WAOWUJCRSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)OCC[C@@H]2CC[NH2+]C1CCC(C#N)CC1 ZINC001256951010 1043769990 /nfs/dbraw/zinc/76/99/90/1043769990.db2.gz VOLCOMHUENHCLM-XBMUEBEBSA-N 1 0 391.556 3.855 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[NH2+]C3CCC(C#N)CC3)c2)CC1 ZINC001256960099 1043774891 /nfs/dbraw/zinc/77/48/91/1043774891.db2.gz ZGIQMHUPSBAHDJ-UHFFFAOYSA-N 1 0 398.551 3.916 20 30 GHEDRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](C3CCC(C#N)CC3)CC2)Oc2ccccc21 ZINC001256968408 1043777197 /nfs/dbraw/zinc/77/71/97/1043777197.db2.gz SZUGXHKJQGEYEX-IOJLRTSASA-N 1 0 395.547 3.948 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]Cc3ccnc(OC4CCOCC4)n3)CC2)cc1 ZINC001257014964 1043799428 /nfs/dbraw/zinc/79/94/28/1043799428.db2.gz ZQZUMKHMMKFLBD-UHFFFAOYSA-N 1 0 392.503 3.722 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]C3CCN(C(=O)C(F)(F)F)CC3)CC2)cc1 ZINC001257016031 1043801758 /nfs/dbraw/zinc/80/17/58/1043801758.db2.gz RWYCZCFLSJKOEL-UHFFFAOYSA-N 1 0 379.426 3.727 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccc(C(=O)OCC)cc1)C2 ZINC001257164854 1043910812 /nfs/dbraw/zinc/91/08/12/1043910812.db2.gz YYCUGNBSWLPBLJ-AVCGJXAMSA-N 1 0 387.520 3.620 20 30 GHEDRO CC(C)[C@@H]1C[C@H](NC(=[NH2+])c2ccc(Cl)cn2)CCN1C(=O)OC(C)(C)C ZINC001257171634 1043915762 /nfs/dbraw/zinc/91/57/62/1043915762.db2.gz JVLOJWTWGSTFNX-ZBFHGGJFSA-N 1 0 380.920 3.864 20 30 GHEDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001257174842 1043918504 /nfs/dbraw/zinc/91/85/04/1043918504.db2.gz AVWVGRCZYWBGTN-OALUTQOASA-N 1 0 387.524 3.951 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)CC1 ZINC001293023030 1043989121 /nfs/dbraw/zinc/98/91/21/1043989121.db2.gz HKFCPUVECVJWPE-GOSISDBHSA-N 1 0 393.572 3.569 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001293364662 1044137544 /nfs/dbraw/zinc/13/75/44/1044137544.db2.gz HGHAYOLHINPPSL-AVRDEDQJSA-N 1 0 395.555 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H](NC(=[NH2+])c1ccc(C#N)cc1)C2 ZINC001257795054 1044179133 /nfs/dbraw/zinc/17/91/33/1044179133.db2.gz ZPXGHSSOLZLEET-AVRDEDQJSA-N 1 0 382.508 3.833 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C[C@H](C1)C2 ZINC001257886417 1044243644 /nfs/dbraw/zinc/24/36/44/1044243644.db2.gz FMRWIDRNSSBDSY-YMKPUTNUSA-N 1 0 376.541 3.594 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3Cn4nnc(-c5cccc(F)c5)c4CO3)C[C@H](C1)C2 ZINC001257886323 1044243793 /nfs/dbraw/zinc/24/37/93/1044243793.db2.gz AFVFMJYWRYUDCL-STOVRRNOSA-N 1 0 382.483 3.708 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC(NC(=O)c4cccc(C(=O)OC)c4)CC3)C[C@H](C1)C2 ZINC001257891672 1044247011 /nfs/dbraw/zinc/24/70/11/1044247011.db2.gz MLGXEEWEZXOVAG-VSOVRNOCSA-N 1 0 396.531 3.802 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CCC[C@@]4(COCC(=O)N4CCCC4)C3)C[C@H](C1)C2 ZINC001257891191 1044247774 /nfs/dbraw/zinc/24/77/74/1044247774.db2.gz GWYGUVYLTAYSET-CUFKXXOBSA-N 1 0 386.580 3.862 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C3)CN(C(=O)OC(C)(C)C)CCO4)C[C@H](C1)C2 ZINC001257894388 1044248662 /nfs/dbraw/zinc/24/86/62/1044248662.db2.gz RTCJGDRIHGNIRH-JVXMTQNBSA-N 1 0 376.541 3.833 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3COc4ccc(Cl)cc4C3)C2)C1 ZINC001257956542 1044272755 /nfs/dbraw/zinc/27/27/55/1044272755.db2.gz HQNXTAGXEGBVRC-RXVVDRJESA-N 1 0 390.911 3.754 20 30 GHEDRO CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001293683835 1044294537 /nfs/dbraw/zinc/29/45/37/1044294537.db2.gz UTWRAPAKBOMKPZ-LAEWNIMASA-N 1 0 390.535 3.848 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2OC[C@@H](C(=O)Nc3cnccn3)C[C@H]2C1 ZINC001258044526 1044367178 /nfs/dbraw/zinc/36/71/78/1044367178.db2.gz PSIQAURRLJYMNP-LWYYNNOASA-N 1 0 388.556 3.891 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001258042584 1044367215 /nfs/dbraw/zinc/36/72/15/1044367215.db2.gz QQASRMBLNMXOED-TZIWHRDSSA-N 1 0 384.568 3.941 20 30 GHEDRO CCCCCCC[C@@H](C)N1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258047205 1044368741 /nfs/dbraw/zinc/36/87/41/1044368741.db2.gz IWVUVCJWPBWRGP-WOJBJXKFSA-N 1 0 375.605 3.756 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@H]21 ZINC001258046845 1044369895 /nfs/dbraw/zinc/36/98/95/1044369895.db2.gz FGRBWSKJLFFDIK-DXBBTUNJSA-N 1 0 394.600 3.996 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001258048681 1044371939 /nfs/dbraw/zinc/37/19/39/1044371939.db2.gz XBSXQWDSGSWPRY-FYYLOGMGSA-N 1 0 389.584 3.734 20 30 GHEDRO CCCCCCCCC[C@@H](C)[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001258230994 1044479399 /nfs/dbraw/zinc/47/93/99/1044479399.db2.gz FPHAHPSBAXGHPW-LJQANCHMSA-N 1 0 395.613 3.935 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+]([C@H]2CCCC(C)(C)C2)CC1 ZINC001258290908 1044493929 /nfs/dbraw/zinc/49/39/29/1044493929.db2.gz ZERAUWXNDKJELQ-SFHVURJKSA-N 1 0 384.524 3.529 20 30 GHEDRO CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001294269309 1044558693 /nfs/dbraw/zinc/55/86/93/1044558693.db2.gz IRCFAKKTGSOTHK-UHFFFAOYSA-N 1 0 380.540 3.927 20 30 GHEDRO C=CCC[C@@H](C)[N@H+]1CC2(C[C@@H]1C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC2 ZINC001258725418 1044733870 /nfs/dbraw/zinc/73/38/70/1044733870.db2.gz KZCUOPBFFCRRJP-QZTJIDSGSA-N 1 0 394.556 3.996 20 30 GHEDRO C=CCC[C@@H](C)[NH2+]CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1 ZINC001258725722 1044734597 /nfs/dbraw/zinc/73/45/97/1044734597.db2.gz NMCBXZHDXMSFEA-UTKZUKDTSA-N 1 0 379.504 3.714 20 30 GHEDRO C=CCC[C@@H](C)[N@H+]1CCc2nc(C(=O)NCc3cccc(OC)c3)sc2CC1 ZINC001258727896 1044734794 /nfs/dbraw/zinc/73/47/94/1044734794.db2.gz JMKNMNYLRLBKNC-MRXNPFEDSA-N 1 0 399.560 3.837 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001295367047 1044990292 /nfs/dbraw/zinc/99/02/92/1044990292.db2.gz SDIAGHGIHBUPFT-AHRSYUTCSA-N 1 0 378.524 3.536 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C1CCCC1 ZINC001295683279 1045097935 /nfs/dbraw/zinc/09/79/35/1045097935.db2.gz OWFJSDFVHHYWIY-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)C(C)C ZINC001295826988 1045155888 /nfs/dbraw/zinc/15/58/88/1045155888.db2.gz IMGARWRDMKYXDV-BGYRXZFFSA-N 1 0 392.551 3.639 20 30 GHEDRO N#Cc1c(F)cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC001296842677 1045386802 /nfs/dbraw/zinc/38/68/02/1045386802.db2.gz SCLKPLJKAVNSQF-IBGZPJMESA-N 1 0 395.453 3.755 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)[NH+](C)C)C1CC1 ZINC001298023698 1045678526 /nfs/dbraw/zinc/67/85/26/1045678526.db2.gz FPNTZGQWPXJKCP-GOSISDBHSA-N 1 0 392.532 3.780 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001298623186 1045899722 /nfs/dbraw/zinc/89/97/22/1045899722.db2.gz HOXODFTZCGMTIU-QGZVFWFLSA-N 1 0 384.442 3.892 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001298623184 1045900343 /nfs/dbraw/zinc/90/03/43/1045900343.db2.gz HOXODFTZCGMTIU-KRWDZBQOSA-N 1 0 384.442 3.892 20 30 GHEDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C[N@@H+]2C1 ZINC001298803020 1045951731 /nfs/dbraw/zinc/95/17/31/1045951731.db2.gz IMEQSBUGSLIAIA-GPMSIDNRSA-N 1 0 376.460 3.804 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300808148 1046177249 /nfs/dbraw/zinc/17/72/49/1046177249.db2.gz SIDLPNJBHXXVEA-FDDCHVKYSA-N 1 0 383.584 3.733 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C(C)(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300899835 1046231593 /nfs/dbraw/zinc/23/15/93/1046231593.db2.gz JRUWBHJIKWFREH-HDICACEKSA-N 1 0 391.604 3.866 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001301030454 1046296432 /nfs/dbraw/zinc/29/64/32/1046296432.db2.gz LPQSBRBUHZEDAT-CABCVRRESA-N 1 0 377.895 3.756 20 30 GHEDRO C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001301040631 1046303570 /nfs/dbraw/zinc/30/35/70/1046303570.db2.gz HTFXMDYKQUOIFT-MAUKXSAKSA-N 1 0 393.963 3.583 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001301076066 1046321994 /nfs/dbraw/zinc/32/19/94/1046321994.db2.gz YPMSFXDXNDVORB-UHFFFAOYSA-N 1 0 395.551 3.985 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301085475 1046328752 /nfs/dbraw/zinc/32/87/52/1046328752.db2.gz LEFZKCYYVOEGKI-IBGZPJMESA-N 1 0 387.572 3.798 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001301095782 1046338508 /nfs/dbraw/zinc/33/85/08/1046338508.db2.gz OTVLYABKGYTFIM-FQEVSTJZSA-N 1 0 395.551 3.806 20 30 GHEDRO C=CCn1c(-c2ccco2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001262857585 1046386254 /nfs/dbraw/zinc/38/62/54/1046386254.db2.gz DITYHHOBSWUZBT-UHFFFAOYSA-N 1 0 381.455 3.576 20 30 GHEDRO C=CCCCn1c(C(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001301197032 1046397960 /nfs/dbraw/zinc/39/79/60/1046397960.db2.gz NKBISEZDFLSLLQ-OYRHEFFESA-N 1 0 379.552 3.936 20 30 GHEDRO C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001301207919 1046403809 /nfs/dbraw/zinc/40/38/09/1046403809.db2.gz IVRZXUCVDBVXEG-OAQYLSRUSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCn1c(Nc2ccn(CC)n2)nnc1C1CCN(c2cc[nH+]cc2C)CC1 ZINC001262931372 1046429519 /nfs/dbraw/zinc/42/95/19/1046429519.db2.gz LVNKNNIKTAXNAE-UHFFFAOYSA-N 1 0 392.511 3.512 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001262945934 1046443071 /nfs/dbraw/zinc/44/30/71/1046443071.db2.gz DFZPVADDHDVCGQ-IBGZPJMESA-N 1 0 392.551 3.515 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001301278166 1046448153 /nfs/dbraw/zinc/44/81/53/1046448153.db2.gz GQGVPHALRNAGLQ-QGZVFWFLSA-N 1 0 398.511 3.598 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001301285771 1046454148 /nfs/dbraw/zinc/45/41/48/1046454148.db2.gz DHSJABSOWGXCDX-NRFANRHFSA-N 1 0 390.535 3.828 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001301293313 1046459994 /nfs/dbraw/zinc/45/99/94/1046459994.db2.gz BIRYSINULLQQAK-SFTDATJTSA-N 1 0 395.551 3.631 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001301299910 1046463312 /nfs/dbraw/zinc/46/33/12/1046463312.db2.gz XRHUQIYGPXMDHE-LJQANCHMSA-N 1 0 385.531 3.751 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001301309168 1046472219 /nfs/dbraw/zinc/47/22/19/1046472219.db2.gz PDSTZUISSHSCFY-FQEVSTJZSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC(c2ccc(OC)cc2)CC1 ZINC001262991215 1046475582 /nfs/dbraw/zinc/47/55/82/1046475582.db2.gz CUMWQAYLDXGRBM-UHFFFAOYSA-N 1 0 395.551 3.666 20 30 GHEDRO C=CCN(c1nnc(-c2ccccc2OC)n1CC[NH+]1CCCCC1)C1CC1 ZINC001301323387 1046486033 /nfs/dbraw/zinc/48/60/33/1046486033.db2.gz KCZZUXUAUWLDLP-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C)C1CC1 ZINC001301334247 1046498586 /nfs/dbraw/zinc/49/85/86/1046498586.db2.gz FQKRGZOAZPGVGP-WOJBJXKFSA-N 1 0 399.514 3.726 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1csc([C@@H](C)N)n1 ZINC001263080150 1046550682 /nfs/dbraw/zinc/55/06/82/1046550682.db2.gz OXLCWJMAQRBYPF-SNVBAGLBSA-N 1 0 398.301 3.893 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)C[C@H]1C ZINC001263131753 1046578009 /nfs/dbraw/zinc/57/80/09/1046578009.db2.gz CDVSWJULTOKWFM-OTWHNJEPSA-N 1 0 380.540 3.653 20 30 GHEDRO C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001301608839 1046622619 /nfs/dbraw/zinc/62/26/19/1046622619.db2.gz ANCUMPAWTZSTCS-SFHVURJKSA-N 1 0 375.586 3.529 20 30 GHEDRO C=CCSCCn1c(CC(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001301612330 1046624281 /nfs/dbraw/zinc/62/42/81/1046624281.db2.gz XLCXLQABWAFPSL-UHFFFAOYSA-N 1 0 393.645 3.954 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263327301 1046715354 /nfs/dbraw/zinc/71/53/54/1046715354.db2.gz KEMSOPCSQHUDNI-RTBURBONSA-N 1 0 382.556 3.569 20 30 GHEDRO C=C(C)Cn1c(CSC(F)(F)F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001263344553 1046728205 /nfs/dbraw/zinc/72/82/05/1046728205.db2.gz JNLBVPWHCNYXFF-UHFFFAOYSA-N 1 0 377.480 3.574 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001301972232 1046769741 /nfs/dbraw/zinc/76/97/41/1046769741.db2.gz TVOKHMOCJRZOPO-IEBWSBKVSA-N 1 0 396.539 3.647 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCCC#N)n2Cc2cccs2)C[C@H]1C ZINC001263490480 1046894684 /nfs/dbraw/zinc/89/46/84/1046894684.db2.gz SZIPJDPBNJIRTM-SJORKVTESA-N 1 0 386.569 3.543 20 30 GHEDRO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2CCC[N@@H+](C)C2)n1C[C@@H]1CCCCO1 ZINC001263601461 1046986362 /nfs/dbraw/zinc/98/63/62/1046986362.db2.gz ZDXCIOVGYNFPTO-AQNXPRMDSA-N 1 0 387.572 3.591 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC1CC1 ZINC001263675765 1047039771 /nfs/dbraw/zinc/03/97/71/1047039771.db2.gz ZLCOITINTYZMNI-FQEVSTJZSA-N 1 0 398.599 3.873 20 30 GHEDRO C=CCCCCCN(C)c1nnc([C@H]2CCC[N@H+](C)C2)n1Cc1cc(C)on1 ZINC001263809182 1047148669 /nfs/dbraw/zinc/14/86/69/1047148669.db2.gz LKTONGIRYFYBRO-SFHVURJKSA-N 1 0 386.544 3.615 20 30 GHEDRO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1C#N ZINC001264169165 1047259020 /nfs/dbraw/zinc/25/90/20/1047259020.db2.gz VSMGCDQMSJFWNN-SFHVURJKSA-N 1 0 383.517 3.831 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC=CCC2)C1 ZINC001303302506 1047349419 /nfs/dbraw/zinc/34/94/19/1047349419.db2.gz KKSDFCBGEWCIOK-HXUWFJFHSA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@H](CCn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCCC1 ZINC001303669631 1047472852 /nfs/dbraw/zinc/47/28/52/1047472852.db2.gz VIBYTZKDRBISTH-GOSISDBHSA-N 1 0 384.572 3.940 20 30 GHEDRO C[C@H](Cn1c(N(C)Cc2cccc(C#N)c2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001303750990 1047504348 /nfs/dbraw/zinc/50/43/48/1047504348.db2.gz FQQVPOKXZGIHMH-SFHVURJKSA-N 1 0 394.567 3.816 20 30 GHEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001303791112 1047513353 /nfs/dbraw/zinc/51/33/53/1047513353.db2.gz LUZNRSNOQNVKHF-GFCCVEGCSA-N 1 0 375.259 3.611 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000599526852 1047538487 /nfs/dbraw/zinc/53/84/87/1047538487.db2.gz VBQBLDYWOMAUAK-GOEBONIOSA-N 1 0 381.339 3.670 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218288 1047618086 /nfs/dbraw/zinc/61/80/86/1047618086.db2.gz KHMCTLWRJUGUNT-UKILVPOCSA-N 1 0 398.510 3.983 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C)C[NH+]1CCCC1 ZINC001304522041 1047699341 /nfs/dbraw/zinc/69/93/41/1047699341.db2.gz NDEKPHAITRPMTE-MJGOQNOKSA-N 1 0 380.540 3.724 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702628311 1047707074 /nfs/dbraw/zinc/70/70/74/1047707074.db2.gz KAADMIDRUGVRMQ-IBGZPJMESA-N 1 0 375.394 3.626 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001304548226 1047709397 /nfs/dbraw/zinc/70/93/97/1047709397.db2.gz UUTLKWXKIHJDSG-OALUTQOASA-N 1 0 394.567 3.505 20 30 GHEDRO C=CCCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Cl)cn1 ZINC001279272141 1047752714 /nfs/dbraw/zinc/75/27/14/1047752714.db2.gz WHNLENBLZSNYDZ-KDURUIRLSA-N 1 0 378.948 3.738 20 30 GHEDRO C=CCCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1nnco1 ZINC001279834133 1047963504 /nfs/dbraw/zinc/96/35/04/1047963504.db2.gz FVFUVAFNLXKUHX-MRXNPFEDSA-N 1 0 378.542 3.732 20 30 GHEDRO C=CCCCCN1CC[C@H]2C[C@]21C(=O)Nc1ncc(C)cc1Br ZINC001280127800 1048095114 /nfs/dbraw/zinc/09/51/14/1048095114.db2.gz GFXBRVMAMYKPTL-KBXCAEBGSA-N 1 0 378.314 3.912 20 30 GHEDRO C[C@@H](CC[NH+]1CC2(C1)SCC[C@H]2C(=O)N1CC(CC#N)C1)CC(C)(C)C ZINC001280270749 1048155415 /nfs/dbraw/zinc/15/54/15/1048155415.db2.gz YXWNXKSULOUFRD-WMZOPIPTSA-N 1 0 377.598 3.628 20 30 GHEDRO CCCC[C@H](CC)C[N@@H+]1CCCC2(CCN(S(=O)(=O)[C@@H](C)C#N)CC2)C1 ZINC001280300281 1048168897 /nfs/dbraw/zinc/16/88/97/1048168897.db2.gz VLGPXBCEGXVJNF-OALUTQOASA-N 1 0 383.602 3.623 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286292494 1048258721 /nfs/dbraw/zinc/25/87/21/1048258721.db2.gz ZFDUEVLTRGUGPG-DLBZAZTESA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001286294684 1048260191 /nfs/dbraw/zinc/26/01/91/1048260191.db2.gz WOUIYXYBGQWDSP-UFYCRDLUSA-N 1 0 387.572 3.632 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCC[N@@H+](C)C(C)C ZINC001286301644 1048263569 /nfs/dbraw/zinc/26/35/69/1048263569.db2.gz NEAFMSQDNVCWIV-HXUWFJFHSA-N 1 0 397.567 3.662 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001286303770 1048265890 /nfs/dbraw/zinc/26/58/90/1048265890.db2.gz CURDKGDXKRWZSP-ZWKOTPCHSA-N 1 0 397.592 3.819 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001286307062 1048268025 /nfs/dbraw/zinc/26/80/25/1048268025.db2.gz ZLWRHDPWNZANCO-RBUKOAKNSA-N 1 0 397.592 3.821 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001286314049 1048268464 /nfs/dbraw/zinc/26/84/64/1048268464.db2.gz JHGCNUHFSUOOIP-UHFFFAOYSA-N 1 0 379.552 3.570 20 30 GHEDRO C#CCN(CC)c1nnc(CC(C)(C)C)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001286448038 1048328830 /nfs/dbraw/zinc/32/88/30/1048328830.db2.gz ZJVQMLFJDKFNNP-UHFFFAOYSA-N 1 0 381.568 3.826 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286524971 1048350639 /nfs/dbraw/zinc/35/06/39/1048350639.db2.gz HCGWDRJLCVTRMG-SELNLUPBSA-N 1 0 383.584 3.906 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286546138 1048357760 /nfs/dbraw/zinc/35/77/60/1048357760.db2.gz GOUBTMUGYKPUCP-UFYCRDLUSA-N 1 0 389.588 3.551 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001286571597 1048370589 /nfs/dbraw/zinc/37/05/89/1048370589.db2.gz PBQYCQRQNBHYHF-UHFFFAOYSA-N 1 0 392.551 3.796 20 30 GHEDRO C=C(Cl)Cn1c(COCC)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001286636364 1048405245 /nfs/dbraw/zinc/40/52/45/1048405245.db2.gz UZWPDUMSDWBBTB-SFHVURJKSA-N 1 0 395.979 3.660 20 30 GHEDRO C=C1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286645374 1048410688 /nfs/dbraw/zinc/41/06/88/1048410688.db2.gz BXSJXABUAGYZRZ-UHFFFAOYSA-N 1 0 389.588 3.522 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001286656035 1048423725 /nfs/dbraw/zinc/42/37/25/1048423725.db2.gz VHAWUNWOSOQBSE-UHFFFAOYSA-N 1 0 392.551 3.949 20 30 GHEDRO CCc1nnc(N(CCC#N)CC2CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001306099461 1048424465 /nfs/dbraw/zinc/42/44/65/1048424465.db2.gz XADQXLNCBHWVKL-GOSISDBHSA-N 1 0 398.580 3.869 20 30 GHEDRO C=CCCCn1c(N2CC[NH+](C3Cc4ccccc4C3)CC2)nnc1C(C)(C)C ZINC001286705025 1048463466 /nfs/dbraw/zinc/46/34/66/1048463466.db2.gz NHXHQISYMLTPBQ-UHFFFAOYSA-N 1 0 393.579 3.831 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC[N@@H+](C)C(C)C ZINC001286716814 1048472432 /nfs/dbraw/zinc/47/24/32/1048472432.db2.gz LZWWQJTYZXEYQQ-UHFFFAOYSA-N 1 0 392.345 3.670 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)[NH+](CC)CC ZINC001286720608 1048477319 /nfs/dbraw/zinc/47/73/19/1048477319.db2.gz TXWYCAHTUHJFSI-HNNXBMFYSA-N 1 0 391.947 3.960 20 30 GHEDRO C=CCN(C)c1nnc(CC(C)C)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001286724090 1048480745 /nfs/dbraw/zinc/48/07/45/1048480745.db2.gz FGKZDFKPCNXECK-NRFANRHFSA-N 1 0 381.568 3.663 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001286725255 1048482226 /nfs/dbraw/zinc/48/22/26/1048482226.db2.gz QNABBAQZWPWYIW-RTBURBONSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC001286737684 1048497324 /nfs/dbraw/zinc/49/73/24/1048497324.db2.gz TWLFLYTZCHNSLQ-IBGZPJMESA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286740741 1048499501 /nfs/dbraw/zinc/49/95/01/1048499501.db2.gz VQUSDFQAAYXXNP-LJQANCHMSA-N 1 0 397.567 3.774 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCC[NH+]1CCCC1 ZINC001286743197 1048500481 /nfs/dbraw/zinc/50/04/81/1048500481.db2.gz BOALUOPATYCYOE-UHFFFAOYSA-N 1 0 390.535 3.952 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C ZINC001286751035 1048504684 /nfs/dbraw/zinc/50/46/84/1048504684.db2.gz LHNBKANQDHWJOR-TZIWHRDSSA-N 1 0 389.613 3.619 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001286759213 1048512489 /nfs/dbraw/zinc/51/24/89/1048512489.db2.gz MEJABHXLMNCSKC-FQEVSTJZSA-N 1 0 379.552 3.698 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286775964 1048523009 /nfs/dbraw/zinc/52/30/09/1048523009.db2.gz QZUZAZQOEIFTGK-UHFFFAOYSA-N 1 0 385.531 3.752 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001286803519 1048531374 /nfs/dbraw/zinc/53/13/74/1048531374.db2.gz GEISIMHQDZIOCA-LEWJYISDSA-N 1 0 395.551 3.601 20 30 GHEDRO CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC[NH+]1CCCCC1 ZINC001287358316 1048731058 /nfs/dbraw/zinc/73/10/58/1048731058.db2.gz AODBNJKQJJZSOD-UHFFFAOYSA-N 1 0 394.567 3.861 20 30 GHEDRO CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001306573948 1048746070 /nfs/dbraw/zinc/74/60/70/1048746070.db2.gz JSDAYDVZRQBWNX-IRXDYDNUSA-N 1 0 380.540 3.924 20 30 GHEDRO CC(C)CCN(CCC#N)c1nnc(C(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287597409 1048842301 /nfs/dbraw/zinc/84/23/01/1048842301.db2.gz HFPLHEXDKZYCIS-HXUWFJFHSA-N 1 0 392.617 3.605 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(CCC#N)CC2CC2)C1 ZINC001287986340 1048962121 /nfs/dbraw/zinc/96/21/21/1048962121.db2.gz YQIGTGKVIVGONX-IBGZPJMESA-N 1 0 395.555 3.524 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001307056303 1049044642 /nfs/dbraw/zinc/04/46/42/1049044642.db2.gz CXVGCAXIRHQJAU-IBGZPJMESA-N 1 0 386.588 3.871 20 30 GHEDRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)CC#N)C(C)C ZINC001288531320 1049131115 /nfs/dbraw/zinc/13/11/15/1049131115.db2.gz WSYPZKQPJWPUKD-QGZVFWFLSA-N 1 0 388.585 3.788 20 30 GHEDRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1)[N@H+](C)C1CC1 ZINC001288664631 1049188547 /nfs/dbraw/zinc/18/85/47/1049188547.db2.gz OKNWWZQEZOHRPY-MRXNPFEDSA-N 1 0 398.580 3.543 20 30 GHEDRO CCc1cccc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001307373414 1049230856 /nfs/dbraw/zinc/23/08/56/1049230856.db2.gz KUQXHUDZMDGAJC-UHFFFAOYSA-N 1 0 383.495 3.889 20 30 GHEDRO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](C)CN1CCOCC1 ZINC001307448159 1049283610 /nfs/dbraw/zinc/28/36/10/1049283610.db2.gz OMZMYNIHPALAJX-HNNXBMFYSA-N 1 0 385.321 3.545 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)cc1 ZINC001307626412 1049459095 /nfs/dbraw/zinc/45/90/95/1049459095.db2.gz WHECJMNNMAYZJQ-IBGZPJMESA-N 1 0 390.405 3.993 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC001307669176 1049492460 /nfs/dbraw/zinc/49/24/60/1049492460.db2.gz VOPZBYDONLDXPG-UXHICEINSA-N 1 0 378.497 3.933 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1OC ZINC001289490077 1049512940 /nfs/dbraw/zinc/51/29/40/1049512940.db2.gz FMTFAZCNURPWQO-VQHVLOKHSA-N 1 0 384.520 3.796 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001289531439 1049525981 /nfs/dbraw/zinc/52/59/81/1049525981.db2.gz LKIFNQAGGCRTJR-APWZRJJASA-N 1 0 392.507 3.745 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001289532096 1049527306 /nfs/dbraw/zinc/52/73/06/1049527306.db2.gz SFPMDPWHBZWTDW-MSOLQXFVSA-N 1 0 398.555 3.955 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC001307727824 1049541347 /nfs/dbraw/zinc/54/13/47/1049541347.db2.gz LLTZKDHCFZVXEG-UHFFFAOYSA-N 1 0 378.447 3.731 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](C[NH2+]C3(c4cccc(C#N)c4)CC3)C2)C1 ZINC001307764107 1049578009 /nfs/dbraw/zinc/57/80/09/1049578009.db2.gz URDGHOLFVAQKIY-KNQAVFIVSA-N 1 0 397.519 3.553 20 30 GHEDRO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001307954094 1049719699 /nfs/dbraw/zinc/71/96/99/1049719699.db2.gz IPWXRAUQCGMLQI-UHFFFAOYSA-N 1 0 376.570 3.537 20 30 GHEDRO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC001308006929 1049756177 /nfs/dbraw/zinc/75/61/77/1049756177.db2.gz SJESZTFJZUZDLO-YLJYHZDGSA-N 1 0 394.918 3.947 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001308023702 1049775396 /nfs/dbraw/zinc/77/53/96/1049775396.db2.gz MNKQCIGTXPFEIB-QGZVFWFLSA-N 1 0 390.487 3.944 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001290309438 1049797622 /nfs/dbraw/zinc/79/76/22/1049797622.db2.gz NCKWRFQEJDEGFC-NRFANRHFSA-N 1 0 382.504 3.855 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC001308106291 1049851553 /nfs/dbraw/zinc/85/15/53/1049851553.db2.gz YUSPKWPHPQVGKU-ZWKOTPCHSA-N 1 0 382.533 3.651 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)c1C ZINC001308151542 1049888315 /nfs/dbraw/zinc/88/83/15/1049888315.db2.gz MZFSBEMYLUKJJY-GGAORHGYSA-N 1 0 396.579 3.745 20 30 GHEDRO CC(C)(C)C#CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001290769828 1049920437 /nfs/dbraw/zinc/92/04/37/1049920437.db2.gz PPXYXVICOZCWIX-UHFFFAOYSA-N 1 0 389.543 3.992 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Br)nc2)ccc1OC ZINC001308265595 1049931463 /nfs/dbraw/zinc/93/14/63/1049931463.db2.gz HRPZISBJJLPYSL-HNNXBMFYSA-N 1 0 390.281 3.823 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001308339166 1049952917 /nfs/dbraw/zinc/95/29/17/1049952917.db2.gz XCUJQLPPIFVKDQ-KRWDZBQOSA-N 1 0 393.369 3.919 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CC2)C1 ZINC001291014179 1049971773 /nfs/dbraw/zinc/97/17/73/1049971773.db2.gz YQYIYSQROXSKLM-HDICACEKSA-N 1 0 392.551 3.783 20 30 GHEDRO COc1cccc(OCCN2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC001308565461 1050011195 /nfs/dbraw/zinc/01/11/95/1050011195.db2.gz BRCPBPQTBQUGDP-UHFFFAOYSA-N 1 0 393.531 3.693 20 30 GHEDRO C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccccc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001308660366 1050051163 /nfs/dbraw/zinc/05/11/63/1050051163.db2.gz MCKBYWQGWGEXKB-MOPGFXCFSA-N 1 0 398.551 3.716 20 30 GHEDRO CC(C)(C)OC(=O)NC1(CC[NH2+]C2(c3cccc(C#N)c3)CC2)CCOCC1 ZINC001308757990 1050084855 /nfs/dbraw/zinc/08/48/55/1050084855.db2.gz JUASJJWTBXPGSR-UHFFFAOYSA-N 1 0 385.508 3.601 20 30 GHEDRO COc1ccc(C(C)(C)C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1OC ZINC001308948495 1050208505 /nfs/dbraw/zinc/20/85/05/1050208505.db2.gz IORROZDMNDSYNA-IBGZPJMESA-N 1 0 394.519 3.825 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)cc1 ZINC001327862121 1050302783 /nfs/dbraw/zinc/30/27/83/1050302783.db2.gz ABQWNOZRPCKNIW-AKFKNWHVSA-N 1 0 376.500 3.894 20 30 GHEDRO COc1cccc([C@H](CNC(=O)C(C)(C)c2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC001329258241 1050760376 /nfs/dbraw/zinc/76/03/76/1050760376.db2.gz QMMCCRRQCDAEKU-QFIPXVFZSA-N 1 0 391.515 3.798 20 30 GHEDRO N#Cc1cccc(C2(C(=O)Nc3ccc(N4CC[N@@H+]5CCC[C@H]5C4)cc3)CC2)c1 ZINC001330815862 1051118292 /nfs/dbraw/zinc/11/82/92/1051118292.db2.gz GLOOPIQZKPDYQI-QFIPXVFZSA-N 1 0 386.499 3.513 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001310210828 1051226054 /nfs/dbraw/zinc/22/60/54/1051226054.db2.gz IZTRZKFGESTFNI-MOPGFXCFSA-N 1 0 391.475 3.836 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)c1 ZINC001331972278 1051427899 /nfs/dbraw/zinc/42/78/99/1051427899.db2.gz QHNJOAQJIZZZHK-ZWKOTPCHSA-N 1 0 384.277 3.795 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)c1cnn(CCC#N)c1C)c1ccc(Cl)cc1 ZINC001332564515 1051541577 /nfs/dbraw/zinc/54/15/77/1051541577.db2.gz MPVPHVXNWBXMSD-UHFFFAOYSA-N 1 0 387.915 3.747 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(C/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC001332946400 1051612666 /nfs/dbraw/zinc/61/26/66/1051612666.db2.gz USUCNKCCPPLUGX-UHFFFAOYSA-N 1 0 385.533 3.547 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2oc3ccccc3c2Br)CC1 ZINC001333194921 1051682671 /nfs/dbraw/zinc/68/26/71/1051682671.db2.gz NLEOSONTMXLKNX-UHFFFAOYSA-N 1 0 376.250 3.584 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@@H]1OCCc2sccc21)C(C)C ZINC001311388033 1052079733 /nfs/dbraw/zinc/07/97/33/1052079733.db2.gz LMQNTXFPSKBTHT-POAQFYNOSA-N 1 0 391.581 3.748 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC001311619484 1052285258 /nfs/dbraw/zinc/28/52/58/1052285258.db2.gz PAGZSBRMTAUOCT-RTBURBONSA-N 1 0 391.849 3.895 20 30 GHEDRO C#CCN(Cc1c(C)onc1CC)C1CC[NH+](Cc2c(C)onc2CC)CC1 ZINC001336833466 1052345832 /nfs/dbraw/zinc/34/58/32/1052345832.db2.gz RSXCKVYRJVMWER-UHFFFAOYSA-N 1 0 384.524 3.504 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC001312021308 1052533222 /nfs/dbraw/zinc/53/32/22/1052533222.db2.gz LTIKECQQYNVWKR-COPCDDAFSA-N 1 0 378.520 3.766 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001312739945 1052854264 /nfs/dbraw/zinc/85/42/64/1052854264.db2.gz KDICFXBQSJXBBN-FDFHNCONSA-N 1 0 382.552 3.978 20 30 GHEDRO C[C@H]1c2sccc2CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312948641 1052918429 /nfs/dbraw/zinc/91/84/29/1052918429.db2.gz WRQFZRIUTZIYLE-INIZCTEOSA-N 1 0 394.544 3.913 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313137207 1052966866 /nfs/dbraw/zinc/96/68/66/1052966866.db2.gz LBEXRXKAUKLFML-TZIWHRDSSA-N 1 0 381.520 3.788 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)CC#N ZINC001313446916 1053056395 /nfs/dbraw/zinc/05/63/95/1053056395.db2.gz HYRGHLNWXXBWCX-MSOLQXFVSA-N 1 0 396.539 3.566 20 30 GHEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[NH+](C)C)C1CCCCC1 ZINC001313589213 1053118491 /nfs/dbraw/zinc/11/84/91/1053118491.db2.gz CDNMDSUMSUGMOS-QGZVFWFLSA-N 1 0 380.540 3.926 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001342368198 1053132478 /nfs/dbraw/zinc/13/24/78/1053132478.db2.gz MLRIAWJGLZIKIL-QGZVFWFLSA-N 1 0 377.602 3.633 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC001342416732 1053158613 /nfs/dbraw/zinc/15/86/13/1053158613.db2.gz VCZXHKYWXLUBBT-UWJYYQICSA-N 1 0 395.551 3.869 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC[C@@H]1CSC ZINC001342452049 1053176328 /nfs/dbraw/zinc/17/63/28/1053176328.db2.gz AOBWIPUZUKCSKL-XVLXNVKGSA-N 1 0 389.613 3.601 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001342676000 1053294131 /nfs/dbraw/zinc/29/41/31/1053294131.db2.gz WEJHMLBHWBQHAW-ZWKOTPCHSA-N 1 0 375.561 3.795 20 30 GHEDRO CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342717011 1053317762 /nfs/dbraw/zinc/31/77/62/1053317762.db2.gz RRVHRGDUJWYUII-UHFFFAOYSA-N 1 0 392.551 3.876 20 30 GHEDRO CCn1c(N2CCC[C@H](CC#N)C2)nnc1[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001342717579 1053318097 /nfs/dbraw/zinc/31/80/97/1053318097.db2.gz VUJGALGRSHBLME-NFBKMPQASA-N 1 0 392.551 3.592 20 30 GHEDRO C=C(C)Cn1c(C(F)F)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001342744652 1053333192 /nfs/dbraw/zinc/33/31/92/1053333192.db2.gz ZPLKMBKGWRYXHH-UHFFFAOYSA-N 1 0 379.430 3.643 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001342924845 1053438921 /nfs/dbraw/zinc/43/89/21/1053438921.db2.gz OMCLUDMISAKEIQ-VAMGGRTRSA-N 1 0 382.556 3.574 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(Oc2ccccc2)CC1 ZINC001343006270 1053492556 /nfs/dbraw/zinc/49/25/56/1053492556.db2.gz AVURBBUJRWAZHK-IBGZPJMESA-N 1 0 395.551 3.711 20 30 GHEDRO C[N@H+](CCn1c(C2CCCC2)nnc1N1CC[C@](F)(C#N)C1)Cc1ccccc1 ZINC001314865136 1053655100 /nfs/dbraw/zinc/65/51/00/1053655100.db2.gz IBOQHAYONHRJCZ-QFIPXVFZSA-N 1 0 396.514 3.510 20 30 GHEDRO COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001343396111 1053748552 /nfs/dbraw/zinc/74/85/52/1053748552.db2.gz AXMIOMQGVQFCEN-NRFANRHFSA-N 1 0 391.471 3.642 20 30 GHEDRO C=C(C)Cn1c(-c2ccco2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001343471069 1053791207 /nfs/dbraw/zinc/79/12/07/1053791207.db2.gz TXFFIPHXPWDSET-LJQANCHMSA-N 1 0 377.492 3.825 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2CC(C)C)CC1)CC1CC1 ZINC001343556746 1053876443 /nfs/dbraw/zinc/87/64/43/1053876443.db2.gz HNTGRXVSFJFQOD-NHCUHLMSSA-N 1 0 398.599 3.900 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C[N@H+](C)C(C)C)CC2)nnc1C1(OCC)CCC1 ZINC001343590159 1053910457 /nfs/dbraw/zinc/91/04/57/1053910457.db2.gz LMQTUZRSQXGMHA-UHFFFAOYSA-N 1 0 389.588 3.827 20 30 GHEDRO CC1(C(=O)NCc2cccc(OCC#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001343655531 1053952108 /nfs/dbraw/zinc/95/21/08/1053952108.db2.gz FXFWBATZBFLBPT-UHFFFAOYSA-N 1 0 377.488 3.507 20 30 GHEDRO Cn1ccnc1[C@@H](C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001343843369 1054061412 /nfs/dbraw/zinc/06/14/12/1054061412.db2.gz UVTWQBCDBVAXGY-PCCBWWKXSA-N 1 0 376.504 3.535 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CCCC#N)n2CCc2ccccc2)[C@@H](C)C1 ZINC001344481094 1054509603 /nfs/dbraw/zinc/50/96/03/1054509603.db2.gz DDOFEZLMXAOQIU-PZJWPPBQSA-N 1 0 394.567 3.534 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCc2cccc(OCC#N)c2)c1 ZINC001318463231 1054658012 /nfs/dbraw/zinc/65/80/12/1054658012.db2.gz YDFVYFKSXYTJQW-JOCHJYFZSA-N 1 0 377.488 3.568 20 30 GHEDRO CC(C)Cn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nnc1C1(C#N)CCCCC1 ZINC001345160546 1054923906 /nfs/dbraw/zinc/92/39/06/1054923906.db2.gz BXVKTGZMPGDIOH-XUVXKRRUSA-N 1 0 398.599 3.826 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001345750550 1055241863 /nfs/dbraw/zinc/24/18/63/1055241863.db2.gz OCSRMMPARJZKOP-GHTZIAJQSA-N 1 0 392.551 3.806 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001320038449 1055614394 /nfs/dbraw/zinc/61/43/94/1055614394.db2.gz SKLDGEZGQFYLAK-HSZRJFAPSA-N 1 0 399.579 3.708 20 30 GHEDRO N#Cc1ccccc1COc1cccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001320326753 1055755041 /nfs/dbraw/zinc/75/50/41/1055755041.db2.gz IMBGPVJNVPRGQY-OAQYLSRUSA-N 1 0 386.455 3.996 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCc2cnn(C(C)C)c21)C(C)C ZINC001321194143 1056149134 /nfs/dbraw/zinc/14/91/34/1056149134.db2.gz RJPLXLKZTQKMMB-VQTJNVASSA-N 1 0 387.572 3.839 20 30 GHEDRO CCCc1c(NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC001321656091 1056353863 /nfs/dbraw/zinc/35/38/63/1056353863.db2.gz UGGDRUJHRVMJQX-ICSRJNTNSA-N 1 0 394.523 3.691 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001300555259 1056459419 /nfs/dbraw/zinc/45/94/19/1056459419.db2.gz WBRBDFJIMNMHNY-FQEVSTJZSA-N 1 0 391.563 3.755 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001300561145 1056479961 /nfs/dbraw/zinc/47/99/61/1056479961.db2.gz MFDQIQGBTRDJDL-GOSISDBHSA-N 1 0 395.938 3.546 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300617249 1056676135 /nfs/dbraw/zinc/67/61/35/1056676135.db2.gz WFMSJPVZZNSGOP-HXUWFJFHSA-N 1 0 379.552 3.978 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC001323722098 1057004543 /nfs/dbraw/zinc/00/45/43/1057004543.db2.gz KFFZQRPQXKUSOJ-UHFFFAOYSA-N 1 0 381.442 3.573 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC3CC(C#N)(c4ccccc4)C3)nc2)CC1 ZINC001324333420 1057113295 /nfs/dbraw/zinc/11/32/95/1057113295.db2.gz ATLGGYHQDCZUMV-UHFFFAOYSA-N 1 0 375.520 3.648 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(C3(C#N)CCCC3)n2C)CC1 ZINC001355310192 1057115115 /nfs/dbraw/zinc/11/51/15/1057115115.db2.gz FWDCMDUNBQVOST-SFHVURJKSA-N 1 0 384.572 3.631 20 30 GHEDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1O ZINC000848533396 1057154249 /nfs/dbraw/zinc/15/42/49/1057154249.db2.gz LBFPPOJDVQNXQR-LBPRGKRZSA-N 1 0 391.265 3.765 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2cc3cc(Cl)ccc3nc2Cl)CC1 ZINC000848719580 1057262159 /nfs/dbraw/zinc/26/21/59/1057262159.db2.gz KJQKENYXZNDXLE-UHFFFAOYSA-N 1 0 377.271 3.930 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001355990266 1057346931 /nfs/dbraw/zinc/34/69/31/1057346931.db2.gz JIZSSMCVJOBLGO-FQEVSTJZSA-N 1 0 381.524 3.711 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001356017280 1057357541 /nfs/dbraw/zinc/35/75/41/1057357541.db2.gz FHJLZURUUMWIOO-UHFFFAOYSA-N 1 0 380.949 3.552 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2OCCCC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001356040222 1057366463 /nfs/dbraw/zinc/36/64/63/1057366463.db2.gz CXFJPSZWCLFIKN-VQTJNVASSA-N 1 0 387.572 3.591 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2OC)cc1 ZINC001356088068 1057384810 /nfs/dbraw/zinc/38/48/10/1057384810.db2.gz OTUJNKLMMFAMPL-IBGZPJMESA-N 1 0 393.487 3.888 20 30 GHEDRO CC1CCN([C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c2ccccc2)CC1 ZINC001326148474 1057422816 /nfs/dbraw/zinc/42/28/16/1057422816.db2.gz ZUQZQLJKEDGOBO-QHCPKHFHSA-N 1 0 390.531 3.950 20 30 GHEDRO C#C[C@@H](NC(=[NH2+])NCCc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1F ZINC000849051571 1057561189 /nfs/dbraw/zinc/56/11/89/1057561189.db2.gz PIVPMIWFQILFEY-QGZVFWFLSA-N 1 0 389.858 3.527 20 30 GHEDRO Cc1ccc([C@@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)N2CCOCC2)o1 ZINC000849054268 1057564751 /nfs/dbraw/zinc/56/47/51/1057564751.db2.gz ZGLQJDYDEKTYTH-OAQYLSRUSA-N 1 0 396.535 3.915 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(C(=O)NCC)cc1 ZINC000849062651 1057573372 /nfs/dbraw/zinc/57/33/72/1057573372.db2.gz ZAIHLWJOFDORCJ-UHFFFAOYSA-N 1 0 380.536 3.780 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001357116859 1057607569 /nfs/dbraw/zinc/60/75/69/1057607569.db2.gz KLRBUFVVZOXUHA-QEUVDIPISA-N 1 0 394.567 3.687 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001338630343 1058698419 /nfs/dbraw/zinc/69/84/19/1058698419.db2.gz FHKTXGACSYYYJM-FDYSRKEFSA-N 1 0 390.405 3.659 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001338721961 1058748701 /nfs/dbraw/zinc/74/87/01/1058748701.db2.gz WAIWDCHOVKVJDS-DKXQDJALSA-N 1 0 395.551 3.611 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001338868726 1058842753 /nfs/dbraw/zinc/84/27/53/1058842753.db2.gz YSEYSFYDAOMJSY-HLAWJBBLSA-N 1 0 390.535 3.582 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1cccc(F)c1 ZINC001339131946 1058973876 /nfs/dbraw/zinc/97/38/76/1058973876.db2.gz WQPPTIYHSDQZLC-HXUWFJFHSA-N 1 0 399.514 3.556 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC001339251698 1059041515 /nfs/dbraw/zinc/04/15/15/1059041515.db2.gz FNTARMHRUZNGOO-XXBNENTESA-N 1 0 392.551 3.715 20 30 GHEDRO CCn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)CC#N ZINC001339455019 1059226497 /nfs/dbraw/zinc/22/64/97/1059226497.db2.gz DOMUJRNPGRRPME-QUCCMNQESA-N 1 0 394.567 3.979 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001339796352 1059478146 /nfs/dbraw/zinc/47/81/46/1059478146.db2.gz MNEOGZCFNWBJOI-YVSFHVDLSA-N 1 0 379.499 3.533 20 30 GHEDRO C=CCn1c([C@H]2COc3ccccc32)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339911706 1059553363 /nfs/dbraw/zinc/55/33/63/1059553363.db2.gz VDHHMJNKCZXFEQ-FQEVSTJZSA-N 1 0 395.551 3.545 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339931059 1059566021 /nfs/dbraw/zinc/56/60/21/1059566021.db2.gz NTGMPCXZTMRYPX-UHFFFAOYSA-N 1 0 384.528 3.616 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2C)C1 ZINC001339933154 1059567188 /nfs/dbraw/zinc/56/71/88/1059567188.db2.gz FXHYYLOSUKQJMB-PWHSHALESA-N 1 0 396.583 3.631 20 30 GHEDRO C=CCn1c([C@H](O)CCCCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001340284734 1059823592 /nfs/dbraw/zinc/82/35/92/1059823592.db2.gz DSNAGLMBVXARLC-GOSISDBHSA-N 1 0 375.561 3.533 20 30 GHEDRO C=CCn1c(CSC(C)(C)C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001340297552 1059837089 /nfs/dbraw/zinc/83/70/89/1059837089.db2.gz OSUXRKRVAAHZPJ-YESZJQIVSA-N 1 0 377.602 3.662 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CCCCC#N)n2Cc2ccccc2)[C@@H](C)C1 ZINC001340626372 1060000615 /nfs/dbraw/zinc/00/06/15/1060000615.db2.gz HFFORJSSFNLMRZ-PZJWPPBQSA-N 1 0 394.567 3.729 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2Cc2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340653928 1060023431 /nfs/dbraw/zinc/02/34/31/1060023431.db2.gz GUTQHDZYCYQBLI-TZIWHRDSSA-N 1 0 379.552 3.777 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448884323 1060292361 /nfs/dbraw/zinc/29/23/61/1060292361.db2.gz PWFFBANOMNOMGF-OALUTQOASA-N 1 0 395.588 3.626 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001342085644 1061048620 /nfs/dbraw/zinc/04/86/20/1061048620.db2.gz GFJPUSBEUPZXQZ-NRFANRHFSA-N 1 0 392.551 3.659 20 30 GHEDRO N#CCOc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001342105413 1061059122 /nfs/dbraw/zinc/05/91/22/1061059122.db2.gz XVMBOEKDNIBYBT-QHCPKHFHSA-N 1 0 390.487 3.719 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001342171779 1061103765 /nfs/dbraw/zinc/10/37/65/1061103765.db2.gz GOVZETPMKZGVNO-PWRODBHTSA-N 1 0 390.535 3.582 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001454641259 1061897319 /nfs/dbraw/zinc/89/73/19/1061897319.db2.gz VZJFLCNWSILCKL-UHFFFAOYSA-N 1 0 395.553 3.762 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545809857 1062013537 /nfs/dbraw/zinc/01/35/37/1062013537.db2.gz LRIKVVQTBAZRSY-LJQANCHMSA-N 1 0 397.571 3.770 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cccc(C#CCO)c2)CCCCC1 ZINC001455496764 1062187237 /nfs/dbraw/zinc/18/72/37/1062187237.db2.gz PTZYCDPPPCOZSR-UHFFFAOYSA-N 1 0 390.527 3.595 20 30 GHEDRO C#CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456443838 1062687127 /nfs/dbraw/zinc/68/71/27/1062687127.db2.gz FGHHLKMZJPTQAI-MRXNPFEDSA-N 1 0 393.325 3.513 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001457056319 1062962891 /nfs/dbraw/zinc/96/28/91/1062962891.db2.gz BFYSXHAOJVIBNI-VJBWXMMDSA-N 1 0 391.515 3.697 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001348502054 1063144288 /nfs/dbraw/zinc/14/42/88/1063144288.db2.gz QCFUVZORPHNNRA-ROUUACIJSA-N 1 0 398.580 3.860 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001436279424 1063354516 /nfs/dbraw/zinc/35/45/16/1063354516.db2.gz LXKBYAJIDMHDTE-SFHVURJKSA-N 1 0 375.516 3.698 20 30 GHEDRO CCC(CC)[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCOCC1 ZINC001458085237 1063555172 /nfs/dbraw/zinc/55/51/72/1063555172.db2.gz WAJKTPIIRGJKKM-HXUWFJFHSA-N 1 0 397.479 3.564 20 30 GHEDRO Cc1cc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c(C#N)cc1[N+](=O)[O-] ZINC001458178330 1063634153 /nfs/dbraw/zinc/63/41/53/1063634153.db2.gz IIJXSVSZPCTTEH-UHFFFAOYSA-N 1 0 380.448 3.862 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001458570721 1063897395 /nfs/dbraw/zinc/89/73/95/1063897395.db2.gz BJLZIFSRVYNVIX-UHFFFAOYSA-N 1 0 379.464 3.859 20 30 GHEDRO C=CCn1c(C)nnc1SCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001458820160 1063941777 /nfs/dbraw/zinc/94/17/77/1063941777.db2.gz BIATYIAYRWIKDP-UHFFFAOYSA-N 1 0 391.972 3.730 20 30 GHEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC001459768301 1064207337 /nfs/dbraw/zinc/20/73/37/1064207337.db2.gz HQPVIBOTQVDUGX-VWNXMTODSA-N 1 0 396.579 3.590 20 30 GHEDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001459771572 1064209698 /nfs/dbraw/zinc/20/96/98/1064209698.db2.gz YOECRSNHQNFBKJ-KBPBESRZSA-N 1 0 377.579 3.901 20 30 GHEDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001459771595 1064209787 /nfs/dbraw/zinc/20/97/87/1064209787.db2.gz YOECRSNHQNFBKJ-UONOGXRCSA-N 1 0 377.579 3.901 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1oc2ccc(F)cc2c1C)C(C)C ZINC001463523161 1064433433 /nfs/dbraw/zinc/43/34/33/1064433433.db2.gz CSVBGHICARJOSA-GOSISDBHSA-N 1 0 394.512 3.857 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cc(C)c(Cl)s1)C(C)C ZINC001463530969 1064439866 /nfs/dbraw/zinc/43/98/66/1064439866.db2.gz XKTCOWLCQQAFFT-CQSZACIVSA-N 1 0 376.975 3.687 20 30 GHEDRO N#CC1(CC[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)CCCCC1 ZINC001351497226 1064481183 /nfs/dbraw/zinc/48/11/83/1064481183.db2.gz YDSOJYPGPKFYGD-QAETUUGQSA-N 1 0 383.458 3.582 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001351508934 1064491007 /nfs/dbraw/zinc/49/10/07/1064491007.db2.gz YFQLADMZZOWUID-UHFFFAOYSA-N 1 0 396.915 3.870 20 30 GHEDRO C=CCn1c(-c2ccnc3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001351691098 1064565115 /nfs/dbraw/zinc/56/51/15/1064565115.db2.gz GWSBMKSIEQCOHT-UHFFFAOYSA-N 1 0 376.508 3.646 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001465529243 1065690476 /nfs/dbraw/zinc/69/04/76/1065690476.db2.gz IMUHYHUTELXLRK-QGZVFWFLSA-N 1 0 392.503 3.909 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1 ZINC001465667949 1065781919 /nfs/dbraw/zinc/78/19/19/1065781919.db2.gz FVDCLEQRQRKLLD-UHFFFAOYSA-N 1 0 384.867 3.746 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)C)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001300273893 1065903279 /nfs/dbraw/zinc/90/32/79/1065903279.db2.gz SDYLEKLPPVNLPP-RXVVDRJESA-N 1 0 395.551 3.705 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001300275490 1065906189 /nfs/dbraw/zinc/90/61/89/1065906189.db2.gz VIIRHTOPWPADED-NNMXDRDESA-N 1 0 391.563 3.762 20 30 GHEDRO CSc1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000847746528 1066015773 /nfs/dbraw/zinc/01/57/73/1066015773.db2.gz LFXDNJVZEGOJDH-UHFFFAOYSA-N 1 0 381.501 3.766 20 30 GHEDRO COc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1Cl ZINC000847747528 1066022300 /nfs/dbraw/zinc/02/23/00/1066022300.db2.gz LEISPLSLKBNZEF-UHFFFAOYSA-N 1 0 399.878 3.706 20 30 GHEDRO C[C@@H]1C(=O)CC[C@@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000847747958 1066032242 /nfs/dbraw/zinc/03/22/42/1066032242.db2.gz URCMMNLXFJYAJC-QUCCMNQESA-N 1 0 396.531 3.977 20 30 GHEDRO C[C@H]1CCC[C@@H](OCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847749470 1066035259 /nfs/dbraw/zinc/03/52/59/1066035259.db2.gz QTLQFTSKVFDTFT-PZJWPPBQSA-N 1 0 384.520 3.931 20 30 GHEDRO CC(C)Oc1cncc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847749120 1066036838 /nfs/dbraw/zinc/03/68/38/1066036838.db2.gz NRIHOOOEPNGIMC-UHFFFAOYSA-N 1 0 393.487 3.832 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1F ZINC001466353925 1066109892 /nfs/dbraw/zinc/10/98/92/1066109892.db2.gz BPSBZIQSGPAGDE-GTCCEBARSA-N 1 0 395.453 3.867 20 30 GHEDRO C=CC1(CC(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)CN(C(=O)OC(C)(C)C)C1 ZINC001466605877 1066209477 /nfs/dbraw/zinc/20/94/77/1066209477.db2.gz KQDHKIUAIZFUQH-UHFFFAOYSA-N 1 0 397.519 3.916 20 30 GHEDRO C#CCCCn1c(-c2ccccc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001300399026 1066218370 /nfs/dbraw/zinc/21/83/70/1066218370.db2.gz FPDOCCMAJSTAKL-UHFFFAOYSA-N 1 0 379.552 3.978 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C)cnc1Br)C(C)C ZINC001466663528 1066241373 /nfs/dbraw/zinc/24/13/73/1066241373.db2.gz ZNGGTOIAHACCRE-MRXNPFEDSA-N 1 0 395.345 3.973 20 30 GHEDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001466754859 1066295913 /nfs/dbraw/zinc/29/59/13/1066295913.db2.gz IVRSWJIDZZVDCN-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300432246 1066315746 /nfs/dbraw/zinc/31/57/46/1066315746.db2.gz UMACGEDBWMQKDJ-PZJWPPBQSA-N 1 0 379.552 3.621 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001466817098 1066332843 /nfs/dbraw/zinc/33/28/43/1066332843.db2.gz VPNNIQQNMWJYRJ-UHFFFAOYSA-N 1 0 396.329 3.962 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300439895 1066336628 /nfs/dbraw/zinc/33/66/28/1066336628.db2.gz LYMROOOBQAXAQQ-GOSISDBHSA-N 1 0 395.551 3.534 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001467004539 1066441563 /nfs/dbraw/zinc/44/15/63/1066441563.db2.gz WUSNPRYCSAIXDA-MSOLQXFVSA-N 1 0 391.475 3.802 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NCc3cccc(C[N@@H+](C)CC)c3)cc2n1 ZINC001467352472 1067245162 /nfs/dbraw/zinc/24/51/62/1067245162.db2.gz BYJIWQFUJXFJNX-UHFFFAOYSA-N 1 0 377.492 3.996 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)C(C)C ZINC001467659999 1067404042 /nfs/dbraw/zinc/40/40/42/1067404042.db2.gz DXQMXPZHLLSLMK-UGKGYDQZSA-N 1 0 384.568 3.735 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC001467727664 1067439697 /nfs/dbraw/zinc/43/96/97/1067439697.db2.gz OJHJLEQBSLNDCC-UHFFFAOYSA-N 1 0 378.879 3.553 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001358879831 1067592690 /nfs/dbraw/zinc/59/26/90/1067592690.db2.gz ZHAFYRHJLNYORV-HYFFOGBASA-N 1 0 383.540 3.815 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)[NH+](CC)CC ZINC001358881584 1067593677 /nfs/dbraw/zinc/59/36/77/1067593677.db2.gz JDNXSUIXUUNPCV-QZTJIDSGSA-N 1 0 390.535 3.682 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001358893350 1067600241 /nfs/dbraw/zinc/60/02/41/1067600241.db2.gz SJEYDRRZAIARPR-LEWJYISDSA-N 1 0 393.579 3.900 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001358897338 1067603153 /nfs/dbraw/zinc/60/31/53/1067603153.db2.gz XGWZXGRMOZQJCN-VQTJNVASSA-N 1 0 397.567 3.662 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001358939424 1067621265 /nfs/dbraw/zinc/62/12/65/1067621265.db2.gz WQVOJMYRBIRROS-AZUAARDMSA-N 1 0 395.551 3.589 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[N@H+]1CC ZINC001358942386 1067623421 /nfs/dbraw/zinc/62/34/21/1067623421.db2.gz SUVMCHSZBMXURA-FQEVSTJZSA-N 1 0 379.552 3.796 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001358992535 1067638965 /nfs/dbraw/zinc/63/89/65/1067638965.db2.gz OKYTXVYUZLHEQG-NHCUHLMSSA-N 1 0 395.595 3.767 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc32)n1CC[N@H+](C)C(C)C ZINC001359002321 1067644623 /nfs/dbraw/zinc/64/46/23/1067644623.db2.gz VSUDPNRPESCUFV-UHFFFAOYSA-N 1 0 390.535 3.601 20 30 GHEDRO C[N@H+](CCNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC001468237391 1067644701 /nfs/dbraw/zinc/64/47/01/1067644701.db2.gz LOTCYHXEIMIQBL-UHFFFAOYSA-N 1 0 376.504 3.579 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[NH+](CC)CC ZINC001359068153 1067669257 /nfs/dbraw/zinc/66/92/57/1067669257.db2.gz QCJDKBCCPDUIJJ-FDDCHVKYSA-N 1 0 390.535 3.539 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC001468328269 1067687584 /nfs/dbraw/zinc/68/75/84/1067687584.db2.gz NZYLFOMOPAQCPQ-VXKWHMMOSA-N 1 0 376.475 3.919 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359110647 1067689295 /nfs/dbraw/zinc/68/92/95/1067689295.db2.gz WBRSVZFPPMVOOS-LJQANCHMSA-N 1 0 382.556 3.863 20 30 GHEDRO CN(C)C(=[NH+]CCCCCCc1nc(-c2ccc(Cl)cc2)no1)N(C)C ZINC000849098361 1067725944 /nfs/dbraw/zinc/72/59/44/1067725944.db2.gz YTHGDAAWXBLKQD-UHFFFAOYSA-N 1 0 377.920 3.972 20 30 GHEDRO C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359190688 1067757137 /nfs/dbraw/zinc/75/71/37/1067757137.db2.gz ZPSCRWIXUXSHCF-OALUTQOASA-N 1 0 396.583 3.785 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001359236973 1067843095 /nfs/dbraw/zinc/84/30/95/1067843095.db2.gz GRLOFCOBLGODIR-FQEVSTJZSA-N 1 0 376.508 3.733 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001359250801 1067900664 /nfs/dbraw/zinc/90/06/64/1067900664.db2.gz UQSMFSHMSAUWRB-PZJWPPBQSA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359256904 1067916396 /nfs/dbraw/zinc/91/63/96/1067916396.db2.gz UFQWYJJDBQGHPH-IBGZPJMESA-N 1 0 392.551 3.637 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849603550 1067917611 /nfs/dbraw/zinc/91/76/11/1067917611.db2.gz QXTRPFGXKUGIIC-VJBWXMMDSA-N 1 0 394.563 3.538 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC=CCC1)C(C)C ZINC001359265608 1067928928 /nfs/dbraw/zinc/92/89/28/1067928928.db2.gz JBDDPSLEMUXMBS-LEWJYISDSA-N 1 0 399.583 3.637 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359269718 1067935363 /nfs/dbraw/zinc/93/53/63/1067935363.db2.gz MVRMFUMNLPPQGX-RBUKOAKNSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359288444 1067979846 /nfs/dbraw/zinc/97/98/46/1067979846.db2.gz FKCDTOBHGQEOEE-PZJWPPBQSA-N 1 0 394.567 3.541 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1C#N ZINC001477928745 1078632476 /nfs/dbraw/zinc/63/24/76/1078632476.db2.gz YWZDHMOSACKOKI-JOCHJYFZSA-N 1 0 376.504 3.893 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359312990 1068026758 /nfs/dbraw/zinc/02/67/58/1068026758.db2.gz FHBLWTLLRGRLSK-MOPGFXCFSA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359313947 1068028166 /nfs/dbraw/zinc/02/81/66/1068028166.db2.gz UBPKWVJQLVFKQU-XUVXKRRUSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC001469291402 1068083585 /nfs/dbraw/zinc/08/35/85/1068083585.db2.gz XTPYBFPSEWLKEG-SFHVURJKSA-N 1 0 389.540 3.570 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359801695 1068195144 /nfs/dbraw/zinc/19/51/44/1068195144.db2.gz ZLVBWWPSWLBBHT-RTBURBONSA-N 1 0 386.588 3.727 20 30 GHEDRO C=C(C)CN(CC)C(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC001469600351 1068249329 /nfs/dbraw/zinc/24/93/29/1068249329.db2.gz HBCVFNDQIWUQCW-PMACEKPBSA-N 1 0 387.568 3.803 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC001360460448 1068514374 /nfs/dbraw/zinc/51/43/74/1068514374.db2.gz ZHGYLXDCYIBYIM-YJBOKZPZSA-N 1 0 382.895 3.732 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N(C)[C@H](C)CC#N)C(C)C ZINC001360474571 1068522404 /nfs/dbraw/zinc/52/24/04/1068522404.db2.gz QSOMIOURLUMHFU-GOSISDBHSA-N 1 0 383.544 3.587 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCc2c(CC#N)cccc2C1)[NH+](C)C ZINC001470095250 1068570612 /nfs/dbraw/zinc/57/06/12/1068570612.db2.gz QQKCGAZHCYZNDW-FDDCHVKYSA-N 1 0 390.531 3.820 20 30 GHEDRO C=CCC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)CCCC1 ZINC001470146020 1068595076 /nfs/dbraw/zinc/59/50/76/1068595076.db2.gz BAUQWVSQSRMNOD-FGZHOGPDSA-N 1 0 399.579 3.959 20 30 GHEDRO C[C@@H]1C[C@H](C)[N@H+](CCOc2ccccc2C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460270858 1068899806 /nfs/dbraw/zinc/89/98/06/1068899806.db2.gz KTAUBOCDDKDRKM-ZIFCJYIRSA-N 1 0 387.524 3.808 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC001460610385 1069028704 /nfs/dbraw/zinc/02/87/04/1069028704.db2.gz QBVQEYVAPZTFSX-VYDXJSESSA-N 1 0 392.341 3.635 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@H]1C(F)(F)F ZINC001460784008 1069175888 /nfs/dbraw/zinc/17/58/88/1069175888.db2.gz DZJPYNXNYYXEDI-HZPDHXFCSA-N 1 0 383.414 3.640 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 ZINC001470618356 1072651386 /nfs/dbraw/zinc/65/13/86/1072651386.db2.gz KENUEURCQCUEDE-HSZRJFAPSA-N 1 0 388.515 3.544 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001470738181 1072713773 /nfs/dbraw/zinc/71/37/73/1072713773.db2.gz BTGQJPBAHBPJSA-HNNXBMFYSA-N 1 0 380.467 3.561 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC001470962352 1072850963 /nfs/dbraw/zinc/85/09/63/1072850963.db2.gz LWPVGYDZMWHETO-HNNXBMFYSA-N 1 0 397.693 3.946 20 30 GHEDRO Cc1ccc([C@@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)[NH+](C)C)cc1 ZINC001472674473 1073609463 /nfs/dbraw/zinc/60/94/63/1073609463.db2.gz WDCGOAVMEUZHLW-QGZVFWFLSA-N 1 0 384.405 3.969 20 30 GHEDRO N#Cc1cc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ncc1Br ZINC001472781101 1073662222 /nfs/dbraw/zinc/66/22/22/1073662222.db2.gz GIQGRMJDGWRGSF-HXUWFJFHSA-N 1 0 397.320 3.818 20 30 GHEDRO C=CCOCSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC001472930114 1073728616 /nfs/dbraw/zinc/72/86/16/1073728616.db2.gz MUTGRPVXVSXZFJ-UHFFFAOYSA-N 1 0 393.578 3.541 20 30 GHEDRO COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)CC2(C#N)CCC2)c1 ZINC001473224783 1073872844 /nfs/dbraw/zinc/87/28/44/1073872844.db2.gz XRSXLQWQMVZVEI-GMAHTHKFSA-N 1 0 394.515 3.676 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(SC)c(C#N)c2)CC1 ZINC001479314268 1079177125 /nfs/dbraw/zinc/17/71/25/1079177125.db2.gz TVJVXMKILNVZDI-UHFFFAOYSA-N 1 0 388.581 3.934 20 30 GHEDRO CSc1ccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1C#N ZINC001479311934 1079177266 /nfs/dbraw/zinc/17/72/66/1079177266.db2.gz CTIFASWDQAZAJF-UHFFFAOYSA-N 1 0 386.565 3.688 20 30 GHEDRO CCc1ccc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1Cl ZINC001473469022 1073980656 /nfs/dbraw/zinc/98/06/56/1073980656.db2.gz VSRVXXDLYPWOPO-UHFFFAOYSA-N 1 0 396.922 3.925 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](CCCOc1cccc(C#N)c1)C2 ZINC001473619064 1074050605 /nfs/dbraw/zinc/05/06/05/1074050605.db2.gz PYQBRNQREUOSNN-CVDCTZTESA-N 1 0 399.535 3.954 20 30 GHEDRO C=CCC[C@H]1CCC[N@@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001473855399 1074177614 /nfs/dbraw/zinc/17/76/14/1074177614.db2.gz TYQTUUQWXSQJMU-IBGZPJMESA-N 1 0 384.520 3.774 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCOC23CCCCC3)ccc1Cl ZINC001473856546 1074178443 /nfs/dbraw/zinc/17/84/43/1074178443.db2.gz LIVVINUFQKJKRE-LJQANCHMSA-N 1 0 389.927 3.977 20 30 GHEDRO CC(C)[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)NC(=O)OC(C)(C)C ZINC001473994970 1074229342 /nfs/dbraw/zinc/22/93/42/1074229342.db2.gz AFZKAVASTHKOHH-MRXNPFEDSA-N 1 0 396.329 3.960 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H](C)CN(C)C(=O)OC(C)(C)C)cc(OC)c1O ZINC001474009022 1074234595 /nfs/dbraw/zinc/23/45/95/1074234595.db2.gz VWOVEYNAQZQLJS-HNNXBMFYSA-N 1 0 378.513 3.722 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)Oc1cccc(Br)c1 ZINC001474030903 1074242153 /nfs/dbraw/zinc/24/21/53/1074242153.db2.gz PMFMXJLVMWVHTQ-AWEZNQCLSA-N 1 0 388.309 3.944 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)cc1 ZINC001474257828 1074312609 /nfs/dbraw/zinc/31/26/09/1074312609.db2.gz AHDHCGLPJOFFMR-UHFFFAOYSA-N 1 0 392.543 3.860 20 30 GHEDRO Fc1cc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)ccc1OCC(F)(F)F ZINC001474259943 1074314388 /nfs/dbraw/zinc/31/43/88/1074314388.db2.gz MJXNRCYHSZLKSJ-LBPRGKRZSA-N 1 0 388.327 3.883 20 30 GHEDRO C#CC[N@@H+](Cc1cn(CC(=O)OCC)nc1-c1ccccc1)C1CCCCC1 ZINC001474339468 1074351394 /nfs/dbraw/zinc/35/13/94/1074351394.db2.gz JXCDALADBZHOOM-UHFFFAOYSA-N 1 0 379.504 3.881 20 30 GHEDRO C#Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)cc1 ZINC001474700407 1074523670 /nfs/dbraw/zinc/52/36/70/1074523670.db2.gz WJSXCYBXTRJLKQ-SJORKVTESA-N 1 0 382.426 3.803 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC001493700303 1079288442 /nfs/dbraw/zinc/28/84/42/1079288442.db2.gz XZIAJYOJBQVGQO-FGTMMUONSA-N 1 0 398.530 3.943 20 30 GHEDRO CCC(C)(C)Cn1c(C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001494741435 1079355242 /nfs/dbraw/zinc/35/52/42/1079355242.db2.gz MYGXZALFUBMFTJ-UHFFFAOYSA-N 1 0 380.540 3.607 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001495098962 1079382742 /nfs/dbraw/zinc/38/27/42/1079382742.db2.gz BLBPVZUCJZEJIJ-PXNSSMCTSA-N 1 0 380.540 3.784 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC(C#N)CC1 ZINC001496174020 1079460681 /nfs/dbraw/zinc/46/06/81/1079460681.db2.gz MOOWFSXEUDJAHO-LJQANCHMSA-N 1 0 394.567 3.648 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C(=O)[O-])cc1 ZINC000739105547 600598010 /nfs/dbraw/zinc/59/80/10/600598010.db2.gz HUHIXUXLCUHXNR-NRFANRHFSA-N 1 0 397.906 3.839 20 30 GHEDRO C=CCC[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC)c1ccccc1 ZINC000823894252 608537762 /nfs/dbraw/zinc/53/77/62/608537762.db2.gz LKKNMLPCJWSIPR-SFHVURJKSA-N 1 0 379.464 3.551 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823844695 608855288 /nfs/dbraw/zinc/85/52/88/608855288.db2.gz GYBOOWAJORLVMM-UHFFFAOYSA-N 1 0 385.471 3.558 20 30 GHEDRO COc1cc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)c(C#N)c(Cl)n1 ZINC001164420810 718892377 /nfs/dbraw/zinc/89/23/77/718892377.db2.gz WBBJUKXSPOSRFF-OAHLLOKOSA-N 1 0 384.858 3.519 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623285 719046223 /nfs/dbraw/zinc/04/62/23/719046223.db2.gz MQEQITZYNNAWEY-LPHOPBHVSA-N 1 0 388.849 3.735 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)c(C)cc2C#N)CC3)cs1 ZINC001164691983 719807362 /nfs/dbraw/zinc/80/73/62/719807362.db2.gz DIXBGGUNSPLCMI-UHFFFAOYSA-N 1 0 381.549 3.970 20 30 GHEDRO C=CCOc1cc(C)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692049 719809055 /nfs/dbraw/zinc/80/90/55/719809055.db2.gz FHLWERGRZLQKTL-UHFFFAOYSA-N 1 0 399.564 3.750 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)[C@@H]2CC ZINC001164700190 719823690 /nfs/dbraw/zinc/82/36/90/719823690.db2.gz JIXPCIVOSBLYCQ-NFBKMPQASA-N 1 0 382.552 3.602 20 30 GHEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)ccc1C#N ZINC001164734480 720544558 /nfs/dbraw/zinc/54/45/58/720544558.db2.gz IYPLTUSJXWCNCE-CQSZACIVSA-N 1 0 398.885 3.668 20 30 GHEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)ncc1C#N ZINC001164735849 720544568 /nfs/dbraw/zinc/54/45/68/720544568.db2.gz SJOIPCPEKOSGPA-AWEZNQCLSA-N 1 0 398.885 3.668 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164838232 720654329 /nfs/dbraw/zinc/65/43/29/720654329.db2.gz GPGSQRSZLPBRSA-IBGZPJMESA-N 1 0 396.922 3.867 20 30 GHEDRO Cc1cc(C#N)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164841912 720682371 /nfs/dbraw/zinc/68/23/71/720682371.db2.gz KEBDUYPKGJVJLM-JOCHJYFZSA-N 1 0 390.531 3.830 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4cnc(C#N)c(C)n4)CC3)CC2)cc1 ZINC001164760001 721045354 /nfs/dbraw/zinc/04/53/54/721045354.db2.gz TWKSYORTNZWZHO-UHFFFAOYSA-N 1 0 375.520 3.848 20 30 GHEDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1CC#N ZINC001165029667 721825928 /nfs/dbraw/zinc/82/59/28/721825928.db2.gz XLCVZDDERLGXRN-BVSLBCMMSA-N 1 0 375.520 3.588 20 30 GHEDRO N#Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc2ccccc12 ZINC001164955709 722021842 /nfs/dbraw/zinc/02/18/42/722021842.db2.gz OIHJMLGOLMPMCE-UHFFFAOYSA-N 1 0 383.499 3.994 20 30 GHEDRO CCOC(=O)Nc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)cc1C#N ZINC000180744937 837513661 /nfs/dbraw/zinc/51/36/61/837513661.db2.gz FKAALONZCDZMFD-UHFFFAOYSA-N 1 0 379.464 3.598 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCCC3(C#N)CCOCC3)C[C@@H]21 ZINC000375611186 837721816 /nfs/dbraw/zinc/72/18/16/837721816.db2.gz ILICYSFKTXEYOZ-CEXWTWQISA-N 1 0 391.556 3.712 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000176890880 837781282 /nfs/dbraw/zinc/78/12/82/837781282.db2.gz VCFOIAQQXOKGEO-PGRDOPGGSA-N 1 0 388.515 3.895 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)CN(C)[C@H]2CCSC2)cc1 ZINC000536073469 834652501 /nfs/dbraw/zinc/65/25/01/834652501.db2.gz OSHKQXXWAZNLRJ-KRWDZBQOSA-N 1 0 397.500 3.735 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000158861293 834690103 /nfs/dbraw/zinc/69/01/03/834690103.db2.gz ROKHDWOWFQHKCB-UHFFFAOYSA-N 1 0 391.393 3.628 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(SC)c(Cl)cc2Cl)c1C#N ZINC000133681502 834774421 /nfs/dbraw/zinc/77/44/21/834774421.db2.gz RAGXSLOQFQATJC-UHFFFAOYSA-N 1 0 398.319 3.714 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1c1nccn1CC)C(C)C ZINC000430177084 834784266 /nfs/dbraw/zinc/78/42/66/834784266.db2.gz HBWBFBXGRANVHD-WOJBJXKFSA-N 1 0 387.572 3.838 20 30 GHEDRO CN1c2ccc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cc2CCC1=O ZINC000186908977 834784891 /nfs/dbraw/zinc/78/48/91/834784891.db2.gz HUVOAXSFPXAFPV-UHFFFAOYSA-N 1 0 375.472 3.511 20 30 GHEDRO O=C(NC1CCC(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1)C1CCCC1 ZINC000329308871 834818302 /nfs/dbraw/zinc/81/83/02/834818302.db2.gz PDQSFDKBHMGKHZ-MHJFOBGBSA-N 1 0 375.557 3.779 20 30 GHEDRO CCCOc1c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cccc1OCC ZINC000430184593 834843324 /nfs/dbraw/zinc/84/33/24/834843324.db2.gz FCKVHFHQLZPBSK-LJQANCHMSA-N 1 0 381.476 3.794 20 30 GHEDRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000329332256 834850773 /nfs/dbraw/zinc/85/07/73/834850773.db2.gz WOBCKYGSOWKWFX-YJBOKZPZSA-N 1 0 375.538 3.862 20 30 GHEDRO O=C(NCc1ccc(OC2CCCC2)nc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000329851404 834896267 /nfs/dbraw/zinc/89/62/67/834896267.db2.gz QSLYXDMHBFSHQB-UHFFFAOYSA-N 1 0 386.540 3.767 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418590211 834926651 /nfs/dbraw/zinc/92/66/51/834926651.db2.gz TVHLMPCTAJCQDA-HUUCEWRRSA-N 1 0 384.293 3.556 20 30 GHEDRO COc1cccc(CC2(c3nc(-c4ccc(C#N)c(C)c4)no3)CC[NH2+]CC2)c1 ZINC001211496731 835023851 /nfs/dbraw/zinc/02/38/51/835023851.db2.gz RWGKJYDAVVARLX-UHFFFAOYSA-N 1 0 388.471 3.789 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)c2c(F)cc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000510086046 835040087 /nfs/dbraw/zinc/04/00/87/835040087.db2.gz OOSAFHJJYGEWDY-RDJZCZTQSA-N 1 0 383.442 3.867 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000548838995 835071328 /nfs/dbraw/zinc/07/13/28/835071328.db2.gz FZAMTDWFTNOWBK-UHFFFAOYSA-N 1 0 388.519 3.662 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000329469434 835091546 /nfs/dbraw/zinc/09/15/46/835091546.db2.gz YAYLWEWNCFLFQY-QRVBRYPASA-N 1 0 395.507 3.804 20 30 GHEDRO Cc1oc(-c2ccccc2)nc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000329516734 835170709 /nfs/dbraw/zinc/17/07/09/835170709.db2.gz YXOXDGSHMLCCKA-UHFFFAOYSA-N 1 0 383.492 3.990 20 30 GHEDRO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)c(C)s1)N(C)C[C@H]1CCOC1 ZINC000261729447 844031186 /nfs/dbraw/zinc/03/11/86/844031186.db2.gz XXFQRKBEBRSGKY-CQSZACIVSA-N 1 0 392.956 3.816 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157576058 835248016 /nfs/dbraw/zinc/24/80/16/835248016.db2.gz BGLWJHQIBRGSEE-MRXNPFEDSA-N 1 0 385.464 3.682 20 30 GHEDRO N#CCC[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000151274026 835344367 /nfs/dbraw/zinc/34/43/67/835344367.db2.gz YUBNAAFFYIJNHT-NRFANRHFSA-N 1 0 398.551 3.613 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N[C@@H](C#N)c1cccc(Br)c1)c1ccccc1 ZINC000433369934 844057405 /nfs/dbraw/zinc/05/74/05/844057405.db2.gz BBIUECRAVOIGFX-ROUUACIJSA-N 1 0 386.293 3.823 20 30 GHEDRO N#Cc1cccc(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612107427 835499439 /nfs/dbraw/zinc/49/94/39/835499439.db2.gz DZNNRPYTKMOXFH-YTFSRNRJSA-N 1 0 388.515 3.658 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000647376127 835511254 /nfs/dbraw/zinc/51/12/54/835511254.db2.gz NJRHHMOQFHDNDS-ROUUACIJSA-N 1 0 389.588 3.693 20 30 GHEDRO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000548865909 835575493 /nfs/dbraw/zinc/57/54/93/835575493.db2.gz JIYRRZFFFFILSW-LJQANCHMSA-N 1 0 376.504 3.891 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCCc1ccccc1 ZINC000052802913 835578273 /nfs/dbraw/zinc/57/82/73/835578273.db2.gz SSWGETGMSWTHNG-LJQANCHMSA-N 1 0 379.504 3.895 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508812160 844070017 /nfs/dbraw/zinc/07/00/17/844070017.db2.gz JYHAVXUIYCLGOE-IRLDBZIGSA-N 1 0 391.563 3.816 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000187948147 835660901 /nfs/dbraw/zinc/66/09/01/835660901.db2.gz CEDGDIXRNHSUCO-JOCHJYFZSA-N 1 0 375.516 3.659 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(NC(=O)N(C)C)cc2)cc1OCCCC#N ZINC000279951240 844077048 /nfs/dbraw/zinc/07/70/48/844077048.db2.gz YSVHUSCYHPKEOD-UHFFFAOYSA-N 1 0 396.491 3.761 20 30 GHEDRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000278690375 835808828 /nfs/dbraw/zinc/80/88/28/835808828.db2.gz HLERWEZLXIOPDX-MRXNPFEDSA-N 1 0 381.549 3.555 20 30 GHEDRO CCOCc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278703779 835841730 /nfs/dbraw/zinc/84/17/30/835841730.db2.gz QZIQDNAPQYWDBA-UHFFFAOYSA-N 1 0 375.476 3.685 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000573184527 835888566 /nfs/dbraw/zinc/88/85/66/835888566.db2.gz OXYYSUCOKZNQNF-INIZCTEOSA-N 1 0 388.581 3.633 20 30 GHEDRO COc1ccccc1COC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000179750656 835964813 /nfs/dbraw/zinc/96/48/13/835964813.db2.gz DZBNTEXVRKNMBO-UHFFFAOYSA-N 1 0 393.487 3.577 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179775331 835976881 /nfs/dbraw/zinc/97/68/81/835976881.db2.gz AMMHWJXHYXBPPY-CYBMUJFWSA-N 1 0 396.878 3.849 20 30 GHEDRO N#Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000167166464 835999809 /nfs/dbraw/zinc/99/98/09/835999809.db2.gz XZACZTXCDAYYSQ-RXVVDRJESA-N 1 0 376.460 3.957 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CC1 ZINC000433417285 844115352 /nfs/dbraw/zinc/11/53/52/844115352.db2.gz JXZIYCSXSHQVBL-UHFFFAOYSA-N 1 0 389.450 3.527 20 30 GHEDRO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000413649989 836082033 /nfs/dbraw/zinc/08/20/33/836082033.db2.gz SWDJSFAUMIRDKD-JOCHJYFZSA-N 1 0 376.504 3.927 20 30 GHEDRO COc1cc(OC)cc(Oc2cccc(C[NH2+]Cc3cc(C#N)n(C)c3)c2)c1 ZINC000512541787 844126532 /nfs/dbraw/zinc/12/65/32/844126532.db2.gz IDTAGPMNAWUQDD-UHFFFAOYSA-N 1 0 377.444 3.996 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)c1 ZINC000065881336 836105395 /nfs/dbraw/zinc/10/53/95/836105395.db2.gz PXSGPIVYTSVXIX-UHFFFAOYSA-N 1 0 394.544 3.934 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000642706444 836251230 /nfs/dbraw/zinc/25/12/30/836251230.db2.gz NZHJOBSAFWBEHN-TZIWHRDSSA-N 1 0 381.568 3.806 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000613383747 836263001 /nfs/dbraw/zinc/26/30/01/836263001.db2.gz GXHJITCPWWETMS-YADHBBJMSA-N 1 0 381.516 3.871 20 30 GHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179889977 836267841 /nfs/dbraw/zinc/26/78/41/836267841.db2.gz NKLAVNNSIHSFPP-UHFFFAOYSA-N 1 0 399.498 3.809 20 30 GHEDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582281274 836273097 /nfs/dbraw/zinc/27/30/97/836273097.db2.gz GZXVUOHETSHHBY-NRFANRHFSA-N 1 0 392.459 3.872 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CSCc1ccc(C#N)cc1 ZINC000065939498 836278766 /nfs/dbraw/zinc/27/87/66/836278766.db2.gz XIIDEJIEMKKYIC-UHFFFAOYSA-N 1 0 385.508 3.521 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c(C)c2)CC1 ZINC000187250620 836319779 /nfs/dbraw/zinc/31/97/79/836319779.db2.gz CUUQCEIOUHNJAF-UHFFFAOYSA-N 1 0 388.515 3.679 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000509890422 844152631 /nfs/dbraw/zinc/15/26/31/844152631.db2.gz LQKHZRWEUUUBMF-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO CN(c1nc(C(C)(C)C)ccc1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000613417809 836349531 /nfs/dbraw/zinc/34/95/31/836349531.db2.gz NGMGXTUKTGVUCM-UHFFFAOYSA-N 1 0 377.536 3.789 20 30 GHEDRO Fc1cccc(F)c1-n1ccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000255888792 836385538 /nfs/dbraw/zinc/38/55/38/836385538.db2.gz IWXIYDQNGDLKNS-UHFFFAOYSA-N 1 0 398.413 3.538 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 ZINC000728929809 844172248 /nfs/dbraw/zinc/17/22/48/844172248.db2.gz YRSGZXRRRARHKT-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000075270698 836607243 /nfs/dbraw/zinc/60/72/43/836607243.db2.gz ZZVOHDWJQUYPIB-GOSISDBHSA-N 1 0 376.504 3.580 20 30 GHEDRO N#Cc1csc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000540931077 836664978 /nfs/dbraw/zinc/66/49/78/836664978.db2.gz RPQQTHXNUOMSCB-INIZCTEOSA-N 1 0 383.521 3.851 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247059738 836691970 /nfs/dbraw/zinc/69/19/70/836691970.db2.gz LVLVRARMFBGWTM-CRAIPNDOSA-N 1 0 379.435 3.619 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472464113 836734984 /nfs/dbraw/zinc/73/49/84/836734984.db2.gz NWQWZWRXBSWEOB-IRLDBZIGSA-N 1 0 396.579 3.602 20 30 GHEDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180224941 836758362 /nfs/dbraw/zinc/75/83/62/836758362.db2.gz GOWNDOYBVPQXJS-QFIPXVFZSA-N 1 0 390.487 3.569 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000658931024 836786317 /nfs/dbraw/zinc/78/63/17/836786317.db2.gz SWKJLJVECGKIQK-NEPJUHHUSA-N 1 0 398.322 3.658 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1F ZINC000175515754 836875310 /nfs/dbraw/zinc/87/53/10/836875310.db2.gz XIIZBFMMXGAUHF-UHFFFAOYSA-N 1 0 388.327 3.979 20 30 GHEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000782655225 836881103 /nfs/dbraw/zinc/88/11/03/836881103.db2.gz RYDCFCHFVQIMTK-ZFWWWQNUSA-N 1 0 376.382 3.790 20 30 GHEDRO C=C[C@H](CC)CC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001125329213 836900326 /nfs/dbraw/zinc/90/03/26/836900326.db2.gz LLHCNFXKQJFLPM-LJQANCHMSA-N 1 0 378.520 3.945 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000118821989 837008286 /nfs/dbraw/zinc/00/82/86/837008286.db2.gz OXNUVGMONZRGOL-SJORKVTESA-N 1 0 390.553 3.655 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000180293289 837023950 /nfs/dbraw/zinc/02/39/50/837023950.db2.gz ZRHJQYZYXCUMEE-FDDCHVKYSA-N 1 0 385.515 3.711 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1cccc(C)c1 ZINC000027056502 837024833 /nfs/dbraw/zinc/02/48/33/837024833.db2.gz MFDVKDJBRVEGFA-UHFFFAOYSA-O 1 0 398.552 3.815 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(Cc3ccccc3)CCOCC2)cc1Cl ZINC000582886580 837030093 /nfs/dbraw/zinc/03/00/93/837030093.db2.gz KOVHXCWTZAPGGC-UHFFFAOYSA-N 1 0 383.879 3.532 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000027487551 837053916 /nfs/dbraw/zinc/05/39/16/837053916.db2.gz ASPGFMNFEZVEAZ-APWZRJJASA-O 1 0 383.537 3.574 20 30 GHEDRO Cc1ccn(-c2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000180304862 837056170 /nfs/dbraw/zinc/05/61/70/837056170.db2.gz QCWGLAGJPYGLGW-UHFFFAOYSA-N 1 0 382.471 3.743 20 30 GHEDRO CSC1(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC[NH+](C)CC1 ZINC000579896817 837140687 /nfs/dbraw/zinc/14/06/87/837140687.db2.gz XDRLOVNKFOCJIM-UHFFFAOYSA-N 1 0 378.904 3.560 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000658994701 837163568 /nfs/dbraw/zinc/16/35/68/837163568.db2.gz WQPVVHDRYXDSON-UHFFFAOYSA-N 1 0 397.563 3.715 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511437207 837306379 /nfs/dbraw/zinc/30/63/79/837306379.db2.gz ILZBCZKLTSUFJK-LJQANCHMSA-N 1 0 399.432 3.936 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000473368089 844257402 /nfs/dbraw/zinc/25/74/02/844257402.db2.gz BFBLPNCZUOCKFA-UHFFFAOYSA-N 1 0 377.532 3.653 20 30 GHEDRO N#Cc1cccc(COc2cccc(CN3CCO[C@H]([C@@H]4CCCO4)C3)c2)c1 ZINC000180565289 837356663 /nfs/dbraw/zinc/35/66/63/837356663.db2.gz NMAVDPKBOAQYIO-GOTSBHOMSA-N 1 0 378.472 3.517 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)CSc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000247566189 844264103 /nfs/dbraw/zinc/26/41/03/844264103.db2.gz ZZYZANWABCOIRE-UZLBHIALSA-N 1 0 385.558 3.911 20 30 GHEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000177565812 837970717 /nfs/dbraw/zinc/97/07/17/837970717.db2.gz ZPPZDDIGHYMYSG-NHCUHLMSSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000415705358 838006699 /nfs/dbraw/zinc/00/66/99/838006699.db2.gz TXKUPIBCLREDIJ-QAPCUYQASA-N 1 0 394.523 3.633 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000415907060 838260940 /nfs/dbraw/zinc/26/09/40/838260940.db2.gz MHOYLWZXLBQIPC-IBGZPJMESA-N 1 0 395.482 3.597 20 30 GHEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187837313 838362630 /nfs/dbraw/zinc/36/26/30/838362630.db2.gz WOLULHMPLBWVTC-OAHLLOKOSA-N 1 0 397.441 3.557 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000128448393 838568462 /nfs/dbraw/zinc/56/84/62/838568462.db2.gz YENSXFJAHAJHLR-ZDUSSCGKSA-N 1 0 398.406 3.581 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000416152267 838639401 /nfs/dbraw/zinc/63/94/01/838639401.db2.gz VYFSCSRTNUSQOW-JOCHJYFZSA-N 1 0 377.488 3.621 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000414579825 838641237 /nfs/dbraw/zinc/64/12/37/838641237.db2.gz QEOUXJUTZBJVNC-RBUKOAKNSA-N 1 0 381.524 3.931 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610355898 838654431 /nfs/dbraw/zinc/65/44/31/838654431.db2.gz FRXFSZKIKUOQKW-FQEVSTJZSA-N 1 0 390.531 3.969 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C[C@@H]1C(F)(F)F ZINC000893194125 838791412 /nfs/dbraw/zinc/79/14/12/838791412.db2.gz CWSYPYHQDWFLLI-XHSDSOJGSA-N 1 0 384.398 3.567 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000893201107 838836999 /nfs/dbraw/zinc/83/69/99/838836999.db2.gz WNLLOGMHHQFRKD-MAUKXSAKSA-N 1 0 388.562 3.906 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)CNc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000050024651 839020289 /nfs/dbraw/zinc/02/02/89/839020289.db2.gz VYXLMDCHSMHEOA-IBGZPJMESA-N 1 0 382.533 3.621 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415113359 839222432 /nfs/dbraw/zinc/22/24/32/839222432.db2.gz BYVRGMZVWHBXGD-KRWDZBQOSA-N 1 0 378.476 3.567 20 30 GHEDRO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000580310520 839231895 /nfs/dbraw/zinc/23/18/95/839231895.db2.gz ZMTFLVIDDNYBCL-UHFFFAOYSA-N 1 0 389.565 3.628 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415128205 839253452 /nfs/dbraw/zinc/25/34/52/839253452.db2.gz SNYSFLNEMGYLSG-IBGZPJMESA-N 1 0 380.492 3.941 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000580348292 839351530 /nfs/dbraw/zinc/35/15/30/839351530.db2.gz SABJXYQIHHDASQ-UHFFFAOYSA-N 1 0 388.519 3.744 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(CC#N)cc1 ZINC000564900199 839357466 /nfs/dbraw/zinc/35/74/66/839357466.db2.gz ULACSHGNQBAJND-QFIPXVFZSA-N 1 0 390.531 3.853 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511567701 839439681 /nfs/dbraw/zinc/43/96/81/839439681.db2.gz QOXGSVIUMYTZCL-MSOLQXFVSA-N 1 0 383.414 3.680 20 30 GHEDRO CC#Cc1cncc(Nc2cccc(C[NH+]3CCC(C(=O)OCC)CC3)c2)c1 ZINC001211062086 839531387 /nfs/dbraw/zinc/53/13/87/839531387.db2.gz NNXGAGFXCXIGTM-UHFFFAOYSA-N 1 0 377.488 3.972 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[NH+]2CCCC2)o1 ZINC000416698343 839547989 /nfs/dbraw/zinc/54/79/89/839547989.db2.gz WDIZCZXVVQIBAU-LEWJYISDSA-N 1 0 392.503 3.973 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000561120906 839560343 /nfs/dbraw/zinc/56/03/43/839560343.db2.gz KSQCPGUQKKAUDQ-HNNXBMFYSA-N 1 0 379.464 3.893 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549252415 839602373 /nfs/dbraw/zinc/60/23/73/839602373.db2.gz PFIJAZMTQJOZEU-GHTZIAJQSA-N 1 0 392.551 3.678 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549254121 839604696 /nfs/dbraw/zinc/60/46/96/839604696.db2.gz QWLPXDPUOQLATF-KRWDZBQOSA-N 1 0 399.514 3.808 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000580486039 839658122 /nfs/dbraw/zinc/65/81/22/839658122.db2.gz MOCOFZMKMWNDTR-QUCCMNQESA-N 1 0 395.572 3.788 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000580523624 839739132 /nfs/dbraw/zinc/73/91/32/839739132.db2.gz KFIKIPGCGPRODU-HIFRSBDPSA-N 1 0 398.315 3.989 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c(C#N)c1C ZINC000377642600 839864225 /nfs/dbraw/zinc/86/42/25/839864225.db2.gz MGOZBBBTPFOXRY-FQEVSTJZSA-N 1 0 395.528 3.859 20 30 GHEDRO N#Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Oc1ccccc1 ZINC000415533609 839922824 /nfs/dbraw/zinc/92/28/24/839922824.db2.gz IHRVQZQQKVCJJJ-YSSFQJQWSA-N 1 0 376.460 3.942 20 30 GHEDRO CCCc1c(NC(=O)N[C@](C)(C[NH3+])CC(C)C)cnn1-c1cccc(C#N)c1 ZINC000415557823 839972205 /nfs/dbraw/zinc/97/22/05/839972205.db2.gz DLKLLVVAVKRCNW-NRFANRHFSA-N 1 0 382.512 3.581 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000580704099 840034061 /nfs/dbraw/zinc/03/40/61/840034061.db2.gz HAVKVHLZKNAKFB-UFYCRDLUSA-N 1 0 393.478 3.510 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000025811673 840176824 /nfs/dbraw/zinc/17/68/24/840176824.db2.gz BAAVPMJQGJSNAP-PDFOZTTASA-N 1 0 386.517 3.754 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCc2cccs2)cc1 ZINC000185577724 840241420 /nfs/dbraw/zinc/24/14/20/840241420.db2.gz ZYGGGAOWVDKKSY-UHFFFAOYSA-O 1 0 392.529 3.944 20 30 GHEDRO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCN1CCCCC1 ZINC000513121406 844519136 /nfs/dbraw/zinc/51/91/36/844519136.db2.gz CYJQOCMUHSZXMZ-UHFFFAOYSA-N 1 0 388.581 3.635 20 30 GHEDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000416943257 840297086 /nfs/dbraw/zinc/29/70/86/840297086.db2.gz KJPSPLYYGFDCIC-UHFFFAOYSA-N 1 0 381.442 3.608 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000416946234 840302818 /nfs/dbraw/zinc/30/28/18/840302818.db2.gz NWBXSHNBZSGDJQ-MJGOQNOKSA-N 1 0 393.453 3.621 20 30 GHEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000160658603 840312562 /nfs/dbraw/zinc/31/25/62/840312562.db2.gz DFGWVWDCXHRVIY-OAHLLOKOSA-N 1 0 384.377 3.754 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000134353581 840319857 /nfs/dbraw/zinc/31/98/57/840319857.db2.gz XWHCNRPTDSFAGI-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO N#CC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCSCC1 ZINC000934014241 844527875 /nfs/dbraw/zinc/52/78/75/844527875.db2.gz ZXGPMAXNOAWUEA-OAQYLSRUSA-N 1 0 383.561 3.538 20 30 GHEDRO CSc1cccc([C@@H](NCCn2cnc(C#N)n2)c2cc(F)ccc2F)c1 ZINC000580849634 840337340 /nfs/dbraw/zinc/33/73/40/840337340.db2.gz MXWLXVWKVJPJPJ-LJQANCHMSA-N 1 0 385.443 3.529 20 30 GHEDRO [NH2+]=C(NCc1nc(-c2ccccc2)c[nH]1)Nc1ccccc1OC(F)(F)F ZINC000160681625 840408888 /nfs/dbraw/zinc/40/88/88/840408888.db2.gz GYXSIRRUIFXKGT-UHFFFAOYSA-N 1 0 375.354 3.902 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418538727 840424454 /nfs/dbraw/zinc/42/44/54/840424454.db2.gz FEURQMPNBXSCHL-WOJBJXKFSA-N 1 0 385.533 3.600 20 30 GHEDRO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1C ZINC000511765897 840691853 /nfs/dbraw/zinc/69/18/53/840691853.db2.gz XZECGVGAWSHHOP-DNVJHFABSA-N 1 0 378.516 3.978 20 30 GHEDRO Cc1ccc(C)c([C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccccc2)c1 ZINC000588401807 840845339 /nfs/dbraw/zinc/84/53/39/840845339.db2.gz HENHOSHAZOSCHV-JSMIYBGHSA-N 1 0 375.472 3.509 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)nc2)CC1 ZINC000277057320 844588593 /nfs/dbraw/zinc/58/85/93/844588593.db2.gz QYXQITVZYCODNB-UHFFFAOYSA-N 1 0 387.890 3.888 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000157022991 841002844 /nfs/dbraw/zinc/00/28/44/841002844.db2.gz BGZYWGMZXXNYCB-IBGZPJMESA-N 1 0 392.503 3.909 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000592479245 841273511 /nfs/dbraw/zinc/27/35/11/841273511.db2.gz RLBNBAZZDYSCJE-UHFFFAOYSA-N 1 0 376.551 3.630 20 30 GHEDRO COCCNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1ccc(C)cc1 ZINC000027306429 841378374 /nfs/dbraw/zinc/37/83/74/841378374.db2.gz IIPAQIJQJCXNMJ-UHFFFAOYSA-O 1 0 399.561 3.980 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000661116037 841409747 /nfs/dbraw/zinc/40/97/47/841409747.db2.gz HBPPNEKIZLRVAD-XJKSGUPXSA-N 1 0 376.298 3.682 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000500096970 841423872 /nfs/dbraw/zinc/42/38/72/841423872.db2.gz HYDATBRAHPAAKX-UHFFFAOYSA-N 1 0 375.561 3.672 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001141903084 861203955 /nfs/dbraw/zinc/20/39/55/861203955.db2.gz PXHAPDFMRHBUJF-PMACEKPBSA-N 1 0 382.305 3.779 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000593758096 861206606 /nfs/dbraw/zinc/20/66/06/861206606.db2.gz QOXCHIMLNWPBNC-UHFFFAOYSA-N 1 0 392.503 3.957 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698844 861210552 /nfs/dbraw/zinc/21/05/52/861210552.db2.gz JMDUGYRVZUHORS-CEXWTWQISA-N 1 0 389.609 3.894 20 30 GHEDRO C=CC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H](C)COC ZINC000661242460 841561066 /nfs/dbraw/zinc/56/10/66/841561066.db2.gz PHWFCISUPYOQFR-AWEZNQCLSA-N 1 0 376.298 3.929 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)CC1 ZINC000329265436 861220761 /nfs/dbraw/zinc/22/07/61/861220761.db2.gz CIWOFUFWHLQABT-SFHVURJKSA-N 1 0 379.504 3.881 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000045186885 841607253 /nfs/dbraw/zinc/60/72/53/841607253.db2.gz RWWHFIODVBMXMZ-UHFFFAOYSA-N 1 0 376.504 3.886 20 30 GHEDRO COC(=O)c1c[nH]c2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000600193718 861225874 /nfs/dbraw/zinc/22/58/74/861225874.db2.gz QIQXDTAURAYBDP-UHFFFAOYSA-N 1 0 388.471 3.903 20 30 GHEDRO O=C(N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810469 841682039 /nfs/dbraw/zinc/68/20/39/841682039.db2.gz AUPVBHUJIWEHHG-GJZGRUSLSA-N 1 0 398.322 3.645 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC#N)c1cccc(C(F)(F)F)c1 ZINC000601455843 841751412 /nfs/dbraw/zinc/75/14/12/841751412.db2.gz SYBZLJRAFDQOQG-SFHVURJKSA-N 1 0 375.394 3.804 20 30 GHEDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000581615620 841789765 /nfs/dbraw/zinc/78/97/65/841789765.db2.gz MPHTUGPNPWQRSG-QGZVFWFLSA-N 1 0 393.306 3.950 20 30 GHEDRO O=C1[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CCN1CC(F)(F)F ZINC000656689522 841810655 /nfs/dbraw/zinc/81/06/55/841810655.db2.gz UJMKUBTXVSWNTO-SECBINFHSA-N 1 0 388.274 3.793 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000329281128 861244222 /nfs/dbraw/zinc/24/42/22/861244222.db2.gz KOURJZCTBBKXKS-JKSUJKDBSA-N 1 0 399.470 3.857 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000045941504 841874693 /nfs/dbraw/zinc/87/46/93/841874693.db2.gz KFLONBNJPLYQPG-UHFFFAOYSA-N 1 0 376.460 3.625 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329289595 861249476 /nfs/dbraw/zinc/24/94/76/861249476.db2.gz QEMFOTBOWULXJG-FRYIKTPZSA-N 1 0 386.540 3.885 20 30 GHEDRO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329294387 861256448 /nfs/dbraw/zinc/25/64/48/861256448.db2.gz OFSCRSDORZXQEZ-LIPMQLJGSA-N 1 0 387.568 3.636 20 30 GHEDRO CC(C)(C#N)CC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000278925160 842067633 /nfs/dbraw/zinc/06/76/33/842067633.db2.gz DLZMJAORUPFRBF-QGZVFWFLSA-N 1 0 381.442 3.839 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC000161009501 842087945 /nfs/dbraw/zinc/08/79/45/842087945.db2.gz DFDXCVCFQKRVCD-HXUWFJFHSA-N 1 0 392.459 3.730 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000066905671 842090647 /nfs/dbraw/zinc/09/06/47/842090647.db2.gz NQVHXLLQHREJFS-LJQANCHMSA-N 1 0 389.421 3.863 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000541629706 842139059 /nfs/dbraw/zinc/13/90/59/842139059.db2.gz KEONVIDIWDLHDU-IBGZPJMESA-N 1 0 383.495 3.985 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000278934998 842184265 /nfs/dbraw/zinc/18/42/65/842184265.db2.gz CNLOWHWXPUZKGU-HKUYNNGSSA-N 1 0 392.503 3.940 20 30 GHEDRO Cc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000730786765 861281935 /nfs/dbraw/zinc/28/19/35/861281935.db2.gz RQSFAHGYGVQMCE-CALCHBBNSA-N 1 0 378.520 3.959 20 30 GHEDRO N#Cc1cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1F ZINC000585747067 842239556 /nfs/dbraw/zinc/23/95/56/842239556.db2.gz KXHGXVZAORFQGL-RCZSKKKRSA-N 1 0 377.463 3.728 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000581832744 842257486 /nfs/dbraw/zinc/25/74/86/842257486.db2.gz RCSREHYKCXUAEM-IEBWSBKVSA-N 1 0 398.304 3.652 20 30 GHEDRO Cc1sc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c(C#N)c1C ZINC000610543216 842309761 /nfs/dbraw/zinc/30/97/61/842309761.db2.gz DGSYHKLRYWEUOC-MRXNPFEDSA-N 1 0 396.560 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](CC2CCC(C#N)CC2)C2(CCOCC2)CC1 ZINC000933513162 842312309 /nfs/dbraw/zinc/31/23/09/842312309.db2.gz CCXWLJARUZFHPP-UHFFFAOYSA-N 1 0 391.556 3.808 20 30 GHEDRO C=CCOc1c(Br)cc(CNC[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654825 861298745 /nfs/dbraw/zinc/29/87/45/861298745.db2.gz JZRHACHUMUPGEK-HNNXBMFYSA-N 1 0 397.357 3.844 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000278945284 842353863 /nfs/dbraw/zinc/35/38/63/842353863.db2.gz DHTGZNIQJSGISH-UHFFFAOYSA-N 1 0 380.492 3.797 20 30 GHEDRO C[C@@H]1C[C@H](C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC(=O)N1 ZINC000329340468 861304181 /nfs/dbraw/zinc/30/41/81/861304181.db2.gz OIOHTMDEKYFBGN-CABCVRRESA-N 1 0 393.915 3.895 20 30 GHEDRO C[C@H](c1noc(-c2ccccc2)n1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000477647107 842416345 /nfs/dbraw/zinc/41/63/45/842416345.db2.gz VLZDGGMXTVIKQF-GOSISDBHSA-N 1 0 387.487 3.877 20 30 GHEDRO CCC[N@H+](CC(=O)NCCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000603882583 861321245 /nfs/dbraw/zinc/32/12/45/861321245.db2.gz XCWNBHJIDBSMKA-UHFFFAOYSA-N 1 0 385.895 3.619 20 30 GHEDRO O=C(Nc1cccc(N2CCCNC2=O)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329365199 861330116 /nfs/dbraw/zinc/33/01/16/861330116.db2.gz ICIKVMSTCPIHOE-GOSISDBHSA-N 1 0 388.537 3.616 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccs3)cn2)CC1 ZINC000328854550 842659533 /nfs/dbraw/zinc/65/95/33/842659533.db2.gz XNLYSYOBKLNVJQ-SFHVURJKSA-N 1 0 399.564 3.536 20 30 GHEDRO O=C(NCC#Cc1cccc(F)c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000512189862 842844337 /nfs/dbraw/zinc/84/43/37/842844337.db2.gz PYUFDDKMUJOBAF-UHFFFAOYSA-N 1 0 399.897 3.794 20 30 GHEDRO Cc1nc(C(C)(C)C)sc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000328926385 842887023 /nfs/dbraw/zinc/88/70/23/842887023.db2.gz FFPWGTDZZXSZRG-CVEARBPZSA-N 1 0 379.570 3.822 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2cccs2)n1 ZINC000093964400 842933051 /nfs/dbraw/zinc/93/30/51/842933051.db2.gz CXHJOOZGKCNOOP-QGZVFWFLSA-N 1 0 395.507 3.918 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000512199040 843050309 /nfs/dbraw/zinc/05/03/09/843050309.db2.gz CRFDITYIEJFOAV-INIZCTEOSA-N 1 0 383.410 3.772 20 30 GHEDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccccc2Oc2ccccc2C#N)CCCO1 ZINC000432570060 843169937 /nfs/dbraw/zinc/16/99/37/843169937.db2.gz TVQFOHSTAKHCJE-SFHVURJKSA-N 1 0 393.487 3.581 20 30 GHEDRO C[C@H]1[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CCC12CCOCC2 ZINC000329415040 861391072 /nfs/dbraw/zinc/39/10/72/861391072.db2.gz FWLYNEJZODXOJO-NOCBQHASSA-N 1 0 389.540 3.717 20 30 GHEDRO N#CC1(c2cccnc2NC2(CO)CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001167801135 843278637 /nfs/dbraw/zinc/27/86/37/843278637.db2.gz ADAMDFPKGQHQQY-UHFFFAOYSA-N 1 0 390.531 3.856 20 30 GHEDRO CC(C)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000481443230 861401091 /nfs/dbraw/zinc/40/10/91/861401091.db2.gz YOEIAGUZQLVXNV-UNMCSNQZSA-N 1 0 379.504 3.729 20 30 GHEDRO CC(C)C[C@H](C)n1nccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000481449285 861418932 /nfs/dbraw/zinc/41/89/32/861418932.db2.gz WIPOWOBJJYNBMM-SFHVURJKSA-N 1 0 396.539 3.958 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000418628424 843494831 /nfs/dbraw/zinc/49/48/31/843494831.db2.gz VIIOCJNVNUEVBL-JOCHJYFZSA-N 1 0 394.494 3.927 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000418628437 843494888 /nfs/dbraw/zinc/49/48/88/843494888.db2.gz VIIOCJNVNUEVBL-QFIPXVFZSA-N 1 0 394.494 3.927 20 30 GHEDRO CCc1ccc([C@@H](C)NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599632613 861423612 /nfs/dbraw/zinc/42/36/12/861423612.db2.gz FSHNXKSBADUGCU-GOSISDBHSA-N 1 0 391.515 3.593 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000432713479 843572267 /nfs/dbraw/zinc/57/22/67/843572267.db2.gz JFSRDCRPPLHNEI-OAQYLSRUSA-N 1 0 396.922 3.845 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000105485697 843643628 /nfs/dbraw/zinc/64/36/28/843643628.db2.gz MTVXDALHJACNNC-VGSWGCGISA-N 1 0 399.922 3.794 20 30 GHEDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000548455129 843705941 /nfs/dbraw/zinc/70/59/41/843705941.db2.gz KXMNPZIJYIIUOT-UHFFFAOYSA-N 1 0 383.536 3.902 20 30 GHEDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000581986671 843800151 /nfs/dbraw/zinc/80/01/51/843800151.db2.gz VBQUHKOVVUYDJF-GOSISDBHSA-N 1 0 397.910 3.787 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](COC(F)F)C3)sc2C1 ZINC000512845499 843877932 /nfs/dbraw/zinc/87/79/32/843877932.db2.gz SYQABGSIYWQKME-QWHCGFSZSA-N 1 0 397.491 3.634 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000731109902 861470984 /nfs/dbraw/zinc/47/09/84/861470984.db2.gz DJTDGCMOQKFYPR-UHFFFAOYSA-N 1 0 391.515 3.871 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)cc1 ZINC000433291992 843980130 /nfs/dbraw/zinc/98/01/30/843980130.db2.gz XUXARNOLZZWCEV-SIKLNZKXSA-N 1 0 396.535 3.530 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000513153381 844657845 /nfs/dbraw/zinc/65/78/45/844657845.db2.gz JFZAALKVBVQCLO-QFIPXVFZSA-N 1 0 390.531 3.655 20 30 GHEDRO Cc1ccc(C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccn2)cc1 ZINC000573764003 844665184 /nfs/dbraw/zinc/66/51/84/844665184.db2.gz UWSXAJVHGIQESW-ZJSXRUAMSA-N 1 0 387.483 3.575 20 30 GHEDRO N#CCn1c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc2ccccc21 ZINC000729347070 844867484 /nfs/dbraw/zinc/86/74/84/844867484.db2.gz FENAYMPDAMMODL-UHFFFAOYSA-N 1 0 378.520 3.939 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000078583316 844938535 /nfs/dbraw/zinc/93/85/35/844938535.db2.gz MAHPUBKGHFRULK-HXUWFJFHSA-N 1 0 376.504 3.677 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000512668920 844979741 /nfs/dbraw/zinc/97/97/41/844979741.db2.gz OUBJZBGHUXJPHH-UHFFFAOYSA-N 1 0 383.879 3.616 20 30 GHEDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433029232 845012504 /nfs/dbraw/zinc/01/25/04/845012504.db2.gz BAYVRDDUCUNAMZ-QGZVFWFLSA-N 1 0 382.420 3.567 20 30 GHEDRO N#Cc1ccccc1OCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513209795 845052382 /nfs/dbraw/zinc/05/23/82/845052382.db2.gz LDRZZGCVRDUSIQ-FQEVSTJZSA-N 1 0 390.405 3.947 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000673734586 861530971 /nfs/dbraw/zinc/53/09/71/861530971.db2.gz FVTMURYVUDDFFP-IBGZPJMESA-N 1 0 396.535 3.822 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(OC)c1 ZINC000411218114 845122394 /nfs/dbraw/zinc/12/23/94/845122394.db2.gz AXTKVGBJJBYGFD-YTFSRNRJSA-N 1 0 391.515 3.870 20 30 GHEDRO CN(CCC1(C#N)CCCCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000411236029 845141278 /nfs/dbraw/zinc/14/12/78/845141278.db2.gz KGMCKFRBLHQBSX-UHFFFAOYSA-N 1 0 379.302 3.579 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000433065341 845147776 /nfs/dbraw/zinc/14/77/76/845147776.db2.gz BUOJLRIEQZUIAE-UHFFFAOYSA-N 1 0 385.305 3.847 20 30 GHEDRO C[NH+]=C(NCc1nccn1C(F)F)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000262018958 845209041 /nfs/dbraw/zinc/20/90/41/845209041.db2.gz YJTZFDUVZQAKBP-OAHLLOKOSA-N 1 0 389.450 3.780 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000120482683 845280612 /nfs/dbraw/zinc/28/06/12/845280612.db2.gz MCURBBBJHQVZQI-UHFFFAOYSA-N 1 0 380.492 3.941 20 30 GHEDRO C[C@H](C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[NH+]1CCCCCC1 ZINC000329508205 861557884 /nfs/dbraw/zinc/55/78/84/861557884.db2.gz LYWXHPQCTXESHA-CRAIPNDOSA-N 1 0 385.487 3.620 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235911 845372230 /nfs/dbraw/zinc/37/22/30/845372230.db2.gz PHIAPCVKXNUTPV-IBGZPJMESA-N 1 0 390.487 3.708 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc([C@H](c3ccc4ccccc4c3)N3CC([NH3+])C3)n2)c1 ZINC001211801065 845552618 /nfs/dbraw/zinc/55/26/18/845552618.db2.gz IDTOVEHVLJAUAF-NRFANRHFSA-N 1 0 399.429 3.633 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000119579627 845591037 /nfs/dbraw/zinc/59/10/37/845591037.db2.gz WAQMVMBJMDIYKS-LEWJYISDSA-N 1 0 381.907 3.906 20 30 GHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC001167509377 845849976 /nfs/dbraw/zinc/84/99/76/845849976.db2.gz MPKRPJDERDBLPG-VXKWHMMOSA-N 1 0 377.488 3.541 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)cc1 ZINC000731450115 861623517 /nfs/dbraw/zinc/62/35/17/861623517.db2.gz CUHWOQOWGIEYDU-UHFFFAOYSA-N 1 0 386.503 3.695 20 30 GHEDRO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)CC1 ZINC000421379276 846190755 /nfs/dbraw/zinc/19/07/55/846190755.db2.gz UGOMFXGERAOYTE-UHFFFAOYSA-N 1 0 394.485 3.569 20 30 GHEDRO COC1([C@H](C)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCOCC1 ZINC000421407835 846222041 /nfs/dbraw/zinc/22/20/41/846222041.db2.gz WOGCNUXXFWKORZ-SFHVURJKSA-N 1 0 380.488 3.811 20 30 GHEDRO C[C@]1(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCO[C@@H]1C1CC1 ZINC000329562925 861669486 /nfs/dbraw/zinc/66/94/86/861669486.db2.gz NJBMLQQHTHMMPC-CTNGQTDRSA-N 1 0 389.565 3.561 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000551424132 846370816 /nfs/dbraw/zinc/37/08/16/846370816.db2.gz AUICJDWNIRCLHH-QZTJIDSGSA-N 1 0 387.549 3.861 20 30 GHEDRO N#Cc1cccc2c1CCN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000421659865 846445875 /nfs/dbraw/zinc/44/58/75/846445875.db2.gz YSFNSQFCYWGPRC-IBGZPJMESA-N 1 0 381.426 3.605 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1=O ZINC001143440482 846525641 /nfs/dbraw/zinc/52/56/41/846525641.db2.gz IVVIBBNDRZMCED-GOSISDBHSA-N 1 0 386.389 3.725 20 30 GHEDRO C[C@@H]1CN(Cc2ccc(C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C[C@H](C)O1 ZINC000551888957 846561187 /nfs/dbraw/zinc/56/11/87/846561187.db2.gz GFXALFTVPFJIKJ-HDICACEKSA-N 1 0 389.499 3.587 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c(Cl)c1 ZINC000183714222 846943107 /nfs/dbraw/zinc/94/31/07/846943107.db2.gz ZHIGMTKLRHIBEO-UHFFFAOYSA-N 1 0 389.908 3.503 20 30 GHEDRO C[C@H](NC(=O)Nc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272237656 847025757 /nfs/dbraw/zinc/02/57/57/847025757.db2.gz FYTBZYPZHWVUJP-PKOBYXMFSA-N 1 0 378.476 3.621 20 30 GHEDRO Cn1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(-c2ccc(C#N)cc2)n1 ZINC000478280486 847040891 /nfs/dbraw/zinc/04/08/91/847040891.db2.gz XGJSPQVGIBBTGZ-UHFFFAOYSA-N 1 0 389.459 3.979 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000158173926 847053951 /nfs/dbraw/zinc/05/39/51/847053951.db2.gz KZNWCMPDJBIJDD-UHFFFAOYSA-N 1 0 379.504 3.874 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000478530956 847112726 /nfs/dbraw/zinc/11/27/26/847112726.db2.gz TXGZSNDWTVGMPA-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCc3ccc(F)cc3)CC2)cc1 ZINC000563370721 847386420 /nfs/dbraw/zinc/38/64/20/847386420.db2.gz ZPIIRZOZRZNZTL-UHFFFAOYSA-N 1 0 379.479 3.755 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C[NH+]1CCCC1 ZINC000479069012 847444497 /nfs/dbraw/zinc/44/44/97/847444497.db2.gz ZVDMTBVAYBIXGL-UHFFFAOYSA-N 1 0 398.429 3.743 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502164535 847544770 /nfs/dbraw/zinc/54/47/70/847544770.db2.gz QGEBWLVLDYJPIH-OTWHNJEPSA-N 1 0 380.536 3.723 20 30 GHEDRO C=CCOc1ccc(C[N@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000513732922 847572305 /nfs/dbraw/zinc/57/23/05/847572305.db2.gz LTLQWLFRXHSVCO-UHFFFAOYSA-N 1 0 382.504 3.984 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCC[NH2+]C1CCCCC1 ZINC000611624343 847634619 /nfs/dbraw/zinc/63/46/19/847634619.db2.gz VLSREVIOWDITEB-UHFFFAOYSA-N 1 0 381.442 3.669 20 30 GHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000421042406 847655545 /nfs/dbraw/zinc/65/55/45/847655545.db2.gz CFRVCISAZYFYLI-OAQYLSRUSA-N 1 0 392.503 3.890 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc(C#N)ccn2)cc1)C[C@H]1CCCCO1 ZINC000503491286 847730559 /nfs/dbraw/zinc/73/05/59/847730559.db2.gz SKXNWJRMNWWNSJ-OAQYLSRUSA-N 1 0 392.503 3.985 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000503498061 847750233 /nfs/dbraw/zinc/75/02/33/847750233.db2.gz UXPZYPVCLIXYJA-OAQYLSRUSA-N 1 0 377.488 3.585 20 30 GHEDRO CS(=O)(=O)c1ccc(F)c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000502371708 847841432 /nfs/dbraw/zinc/84/14/32/847841432.db2.gz KMKWXIRCIOFWLF-UHFFFAOYSA-N 1 0 386.492 3.723 20 30 GHEDRO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000513746433 847910946 /nfs/dbraw/zinc/91/09/46/847910946.db2.gz WPRQTFMHBVARPP-QGZVFWFLSA-N 1 0 394.471 3.542 20 30 GHEDRO CC(C)[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000503745583 847919733 /nfs/dbraw/zinc/91/97/33/847919733.db2.gz GZHDGDCJVAJQGJ-FGZHOGPDSA-N 1 0 382.552 3.990 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000509972291 847946529 /nfs/dbraw/zinc/94/65/29/847946529.db2.gz NZJPAPRUNZKYFX-HXUWFJFHSA-N 1 0 378.476 3.765 20 30 GHEDRO CC(C)[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000480040785 848032750 /nfs/dbraw/zinc/03/27/50/848032750.db2.gz DWXUQPWPUBPBIG-JOCHJYFZSA-N 1 0 379.552 3.805 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000329640013 861862137 /nfs/dbraw/zinc/86/21/37/861862137.db2.gz ZNCHZRDUPPEHKO-ACJLOTCBSA-N 1 0 386.471 3.543 20 30 GHEDRO C[C@@H](NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000074855132 848154652 /nfs/dbraw/zinc/15/46/52/848154652.db2.gz ISNLKKQKCNDWDX-XMSQKQJNSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599919363 861879577 /nfs/dbraw/zinc/87/95/77/861879577.db2.gz UPQLEFCFJMETFE-YRUKQIKQSA-N 1 0 388.515 3.927 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1OCCCC#N ZINC000119991468 848479922 /nfs/dbraw/zinc/47/99/22/848479922.db2.gz KJVBSWDHNDGPIC-UHFFFAOYSA-N 1 0 393.487 3.794 20 30 GHEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(-c2nc(C3CC3)no2)c1 ZINC000120646560 848603609 /nfs/dbraw/zinc/60/36/09/848603609.db2.gz HFCFUDUDKDONNU-UHFFFAOYSA-N 1 0 396.495 3.622 20 30 GHEDRO Cc1c(C#N)c(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)nc2ccccc12 ZINC001167637923 848694747 /nfs/dbraw/zinc/69/47/47/848694747.db2.gz HDFWVWNRYPPPFW-UHFFFAOYSA-N 1 0 380.492 3.809 20 30 GHEDRO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1 ZINC000731903499 861950551 /nfs/dbraw/zinc/95/05/51/861950551.db2.gz NLNZWICCVIPAFX-INIZCTEOSA-N 1 0 386.839 3.902 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c(-c2ccncc2)n1 ZINC000583062364 848982690 /nfs/dbraw/zinc/98/26/90/848982690.db2.gz NIENQOJOOOGFIA-UHFFFAOYSA-N 1 0 385.471 3.854 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc(CC#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000583127563 849127632 /nfs/dbraw/zinc/12/76/32/849127632.db2.gz MSGGZUAWEHKZHO-FGZHOGPDSA-N 1 0 390.487 3.861 20 30 GHEDRO CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CC[NH+](C)CC1 ZINC000599986450 861983007 /nfs/dbraw/zinc/98/30/07/861983007.db2.gz SNUBJJHGROAHTE-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180214821 862019252 /nfs/dbraw/zinc/01/92/52/862019252.db2.gz SQTRZANOFNJTOP-INIZCTEOSA-N 1 0 385.414 3.542 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000522536584 862023956 /nfs/dbraw/zinc/02/39/56/862023956.db2.gz CRUGQOXMPAKLPL-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458487891 849669758 /nfs/dbraw/zinc/66/97/58/849669758.db2.gz GMPDOCRBBSUWNV-NRFANRHFSA-N 1 0 386.540 3.610 20 30 GHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccccc2-c2ccccc2C#N)C[C@H](C)O1 ZINC000176691084 849671613 /nfs/dbraw/zinc/67/16/13/849671613.db2.gz HLAKXSOKNBRGON-OALUTQOASA-N 1 0 391.515 3.844 20 30 GHEDRO CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000732061601 862050066 /nfs/dbraw/zinc/05/00/66/862050066.db2.gz IVXWGXRWOMSQIO-DENIHFKCSA-N 1 0 391.515 3.815 20 30 GHEDRO Cc1cccc(Oc2cc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccn2)c1C ZINC000329687722 862057219 /nfs/dbraw/zinc/05/72/19/862057219.db2.gz BUXIUDJEUISIPS-IBGZPJMESA-N 1 0 380.492 3.685 20 30 GHEDRO N#Cc1cccc(NCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000426417671 850077298 /nfs/dbraw/zinc/07/72/98/850077298.db2.gz SOASXRXDENUJED-UHFFFAOYSA-N 1 0 376.504 3.663 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OC ZINC000518792023 850137258 /nfs/dbraw/zinc/13/72/58/850137258.db2.gz QIMRUYMHEFOTCA-MRXNPFEDSA-N 1 0 386.879 3.809 20 30 GHEDRO C[N@H+](CCc1cccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1)C1CC1 ZINC000504549154 850141266 /nfs/dbraw/zinc/14/12/66/850141266.db2.gz SWLPWTGWRHGDHN-QFIPXVFZSA-N 1 0 385.508 3.523 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCN2CCCCC2=O)c1 ZINC000518794158 850141580 /nfs/dbraw/zinc/14/15/80/850141580.db2.gz NRWBAJXOHFAZLO-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCc3sccc3C2)cc1Cl ZINC000261998763 850155024 /nfs/dbraw/zinc/15/50/24/850155024.db2.gz ORSJGUQHWOEWDN-LBPRGKRZSA-N 1 0 378.929 3.584 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCCC2 ZINC000439640961 850202361 /nfs/dbraw/zinc/20/23/61/850202361.db2.gz AXOOAEJBRLRBDA-FFZOFVMBSA-N 1 0 387.499 3.788 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H]1c1cccs1 ZINC000514714050 850204537 /nfs/dbraw/zinc/20/45/37/850204537.db2.gz UIVKGQGSVLOLEH-SJKOYZFVSA-N 1 0 389.912 3.873 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000424107111 850220268 /nfs/dbraw/zinc/22/02/68/850220268.db2.gz UFPLSLBEUWMOSX-QZTJIDSGSA-N 1 0 386.293 3.676 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000518843890 850235490 /nfs/dbraw/zinc/23/54/90/850235490.db2.gz CZHALVKKEJQWGA-JIPZTSHUSA-N 1 0 380.467 3.975 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000108362985 850291081 /nfs/dbraw/zinc/29/10/81/850291081.db2.gz MVCKVFXETBTGFP-OPAMFIHVSA-N 1 0 399.514 3.523 20 30 GHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000486966121 850305666 /nfs/dbraw/zinc/30/56/66/850305666.db2.gz JVMHRNPQKVYTQJ-KRWDZBQOSA-N 1 0 386.517 3.518 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000518922035 850332896 /nfs/dbraw/zinc/33/28/96/850332896.db2.gz RHDDHUGSZOHIMN-PBHICJAKSA-N 1 0 384.446 3.889 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@H+](CCOc3ccc(C#N)cc3OC)C2)cc1 ZINC000514832944 850369040 /nfs/dbraw/zinc/36/90/40/850369040.db2.gz WOHQMHWJBLTAIF-FQEVSTJZSA-N 1 0 380.488 3.909 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425346926 850377253 /nfs/dbraw/zinc/37/72/53/850377253.db2.gz JVRFTWQBTIFRNU-DLBZAZTESA-N 1 0 393.325 3.967 20 30 GHEDRO CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000518960715 850404233 /nfs/dbraw/zinc/40/42/33/850404233.db2.gz AJHKOEIQLZZDNC-QFIPXVFZSA-N 1 0 375.472 3.711 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccccc1C#N)c1ccccc1Cl ZINC000027578814 850427224 /nfs/dbraw/zinc/42/72/24/850427224.db2.gz MDQDOYYUNNREGJ-IBGZPJMESA-N 1 0 385.895 3.790 20 30 GHEDRO CC[NH+](CC)CCCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000149737800 850472483 /nfs/dbraw/zinc/47/24/83/850472483.db2.gz JOOUSPXBGWBXCP-UHFFFAOYSA-N 1 0 381.524 3.542 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000505000569 850503390 /nfs/dbraw/zinc/50/33/90/850503390.db2.gz GZNAMWAITJNSSZ-WCRBZPEASA-N 1 0 382.552 3.580 20 30 GHEDRO C=CCc1cc(CN(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc(OC)c1O ZINC000435426510 850509102 /nfs/dbraw/zinc/50/91/02/850509102.db2.gz IOECYPFDVQFWEP-MRXNPFEDSA-N 1 0 387.549 3.506 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000505010788 850519424 /nfs/dbraw/zinc/51/94/24/850519424.db2.gz LUWKMCJQBNZEHF-BGYRXZFFSA-N 1 0 384.568 3.828 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000505061351 850563254 /nfs/dbraw/zinc/56/32/54/850563254.db2.gz KIMLWTXAWZBZLY-XMMPIXPASA-N 1 0 393.531 3.906 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000487241732 850610847 /nfs/dbraw/zinc/61/08/47/850610847.db2.gz OENXOJFWSLNPSV-HSZRJFAPSA-N 1 0 390.531 3.993 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1C#N ZINC000435563849 850647394 /nfs/dbraw/zinc/64/73/94/850647394.db2.gz FQDRHJIXXMITJQ-LJQANCHMSA-N 1 0 384.455 3.909 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000909294801 850676938 /nfs/dbraw/zinc/67/69/38/850676938.db2.gz XIJLJQWHGPANJJ-WMZOPIPTSA-N 1 0 384.553 3.532 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000435671833 850759412 /nfs/dbraw/zinc/75/94/12/850759412.db2.gz FZIODMSECFVSIC-NYVOZVTQSA-N 1 0 380.488 3.946 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c(OC)c1 ZINC000481756233 862178882 /nfs/dbraw/zinc/17/88/82/862178882.db2.gz MKDCIPDFHVSMNY-HXUWFJFHSA-N 1 0 379.500 3.711 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)CN2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC001167960042 851021771 /nfs/dbraw/zinc/02/17/71/851021771.db2.gz REDASJARYNSMGT-UHFFFAOYSA-N 1 0 399.450 3.634 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180509720 862199517 /nfs/dbraw/zinc/19/95/17/862199517.db2.gz XBORLIINSVCHCU-OALUTQOASA-N 1 0 395.906 3.649 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000488003633 851059452 /nfs/dbraw/zinc/05/94/52/851059452.db2.gz CGZIMNJETQITFL-UHFFFAOYSA-N 1 0 387.281 3.704 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000425438844 851099570 /nfs/dbraw/zinc/09/95/70/851099570.db2.gz DRPFZYUMYJHOFE-SIKLNZKXSA-N 1 0 390.531 3.825 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C#N)C2CCCCC2)C1 ZINC000436037334 851132257 /nfs/dbraw/zinc/13/22/57/851132257.db2.gz ZLBOTLTXTVCIIJ-NRFANRHFSA-N 1 0 392.547 3.996 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000436088439 851182106 /nfs/dbraw/zinc/18/21/06/851182106.db2.gz MOJSFQJRXFTNAU-UHFFFAOYSA-N 1 0 378.457 3.727 20 30 GHEDRO N#CCn1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc2ccccc21 ZINC000894429650 851294481 /nfs/dbraw/zinc/29/44/81/851294481.db2.gz NXBCFNLAYLJVPC-FCHUYYIVSA-N 1 0 398.510 3.759 20 30 GHEDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000505779519 851368834 /nfs/dbraw/zinc/36/88/34/851368834.db2.gz XPMBELRPMAYXFX-QZTJIDSGSA-N 1 0 393.535 3.540 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000436236506 851373115 /nfs/dbraw/zinc/37/31/15/851373115.db2.gz FXLKLDOAEALIFS-UHFFFAOYSA-N 1 0 390.483 3.948 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000425124520 851428509 /nfs/dbraw/zinc/42/85/09/851428509.db2.gz FKMAEXHXVSRVLB-SFHVURJKSA-N 1 0 376.504 3.533 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000488519695 851592569 /nfs/dbraw/zinc/59/25/69/851592569.db2.gz AQRLNTNYNMBZAZ-NQIIRXRSSA-N 1 0 394.515 3.900 20 30 GHEDRO COCC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(Cl)c(Cl)c1 ZINC000578749984 851661329 /nfs/dbraw/zinc/66/13/29/851661329.db2.gz WCSFHZBCOIXKET-KRWDZBQOSA-N 1 0 390.274 3.775 20 30 GHEDRO C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C1CC[NH+](C)CC1 ZINC000604552422 862274259 /nfs/dbraw/zinc/27/42/59/862274259.db2.gz NYFOSPRAXNOYJJ-KRWDZBQOSA-N 1 0 377.488 3.597 20 30 GHEDRO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488809507 851785464 /nfs/dbraw/zinc/78/54/64/851785464.db2.gz NTJYOHUQECUZHW-BEFAXECRSA-N 1 0 375.875 3.889 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)n1 ZINC000329740646 862283888 /nfs/dbraw/zinc/28/38/88/862283888.db2.gz OCDSKBOWOFYWQN-MSOLQXFVSA-N 1 0 386.540 3.727 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C#N ZINC000543559011 851833019 /nfs/dbraw/zinc/83/30/19/851833019.db2.gz OJMPPSHURNDZEC-WIYYLYMNSA-N 1 0 382.435 3.836 20 30 GHEDRO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000488940399 851876634 /nfs/dbraw/zinc/87/66/34/851876634.db2.gz NVIYCADSUFEHKM-KRWDZBQOSA-N 1 0 377.410 3.697 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000489036590 851937003 /nfs/dbraw/zinc/93/70/03/851937003.db2.gz NWOMYWDIJIBOIB-UQASEVPWSA-N 1 0 377.504 3.652 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000438001140 851937098 /nfs/dbraw/zinc/93/70/98/851937098.db2.gz IRADHWBMJPDQMB-TYPHKJRUSA-N 1 0 377.573 3.654 20 30 GHEDRO N#CC1(c2ccc(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)cc2)CC1 ZINC000180729659 862300938 /nfs/dbraw/zinc/30/09/38/862300938.db2.gz SYGLUQTXEKKDCH-UHFFFAOYSA-N 1 0 383.561 3.723 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000111859356 851948621 /nfs/dbraw/zinc/94/86/21/851948621.db2.gz BZZVZOXZQLFMTC-JXFKEZNVSA-N 1 0 391.943 3.852 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329764777 862305092 /nfs/dbraw/zinc/30/50/92/862305092.db2.gz WDJYVMBYNCPXIU-IRXDYDNUSA-N 1 0 380.492 3.546 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329789842 862323500 /nfs/dbraw/zinc/32/35/00/862323500.db2.gz CJMLTKMGJQKUIB-SRABZTEZSA-N 1 0 377.554 3.871 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505855091 852140104 /nfs/dbraw/zinc/14/01/04/852140104.db2.gz BDGSXCPGAFSSHT-XLLHFJCQSA-N 1 0 383.536 3.707 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000481829004 862337339 /nfs/dbraw/zinc/33/73/39/862337339.db2.gz DOFXNICNFGPPPR-UXPWSPDFSA-N 1 0 397.519 3.862 20 30 GHEDRO COc1ccc(CNC(NCc2ccc(OC)cc2OC)=[NH+]C(C)(C)C)cc1 ZINC000912509209 852313092 /nfs/dbraw/zinc/31/30/92/852313092.db2.gz XHPABLKOVQNOOH-UHFFFAOYSA-N 1 0 385.508 3.746 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000438456457 852422769 /nfs/dbraw/zinc/42/27/69/852422769.db2.gz PWMZLGMGYWCCIJ-HKUYNNGSSA-N 1 0 379.570 3.583 20 30 GHEDRO Cc1cccc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000489727440 852553196 /nfs/dbraw/zinc/55/31/96/852553196.db2.gz HVDLKBPDKDLZAH-UHFFFAOYSA-N 1 0 381.907 3.866 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000505929156 852626786 /nfs/dbraw/zinc/62/67/86/852626786.db2.gz AMRJVDCMXBGRRX-MOPGFXCFSA-N 1 0 386.536 3.987 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000505936344 852644774 /nfs/dbraw/zinc/64/47/74/852644774.db2.gz UGOOERWKEBWGRF-LJQANCHMSA-N 1 0 378.451 3.754 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000489910085 852661001 /nfs/dbraw/zinc/66/10/01/852661001.db2.gz YYLIGTHEEGBUPM-INIZCTEOSA-N 1 0 392.425 3.959 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000426099999 852674851 /nfs/dbraw/zinc/67/48/51/852674851.db2.gz CTLDRMNBLIHJMI-SFHVURJKSA-N 1 0 387.405 3.726 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000516519887 852676245 /nfs/dbraw/zinc/67/62/45/852676245.db2.gz APPSLSLFRNTDNC-JOCHJYFZSA-N 1 0 376.504 3.660 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000669032701 852764989 /nfs/dbraw/zinc/76/49/89/852764989.db2.gz SKMQLMHGINADRV-ZRNYENFQSA-N 1 0 399.583 3.652 20 30 GHEDRO CC[C@@H](C)Oc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000426166231 852882005 /nfs/dbraw/zinc/88/20/05/852882005.db2.gz NRFFXGYBLYLFKC-GOSISDBHSA-N 1 0 379.504 3.940 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427238786 852884658 /nfs/dbraw/zinc/88/46/58/852884658.db2.gz LIZKDNCOCNPSNG-UHFFFAOYSA-N 1 0 391.494 3.516 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000507492520 852974770 /nfs/dbraw/zinc/97/47/70/852974770.db2.gz PFXOXQVJWUNMAD-IERDGZPVSA-N 1 0 379.479 3.927 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)N3CCC(CCC#N)CC3)CC[N@@H+]2C2CC2)c1 ZINC000516864045 853093989 /nfs/dbraw/zinc/09/39/89/853093989.db2.gz MNIBVOXBBRDKNN-FGZHOGPDSA-N 1 0 396.535 3.698 20 30 GHEDRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H](C#N)C3)C2=O)ccc1Br ZINC000329923879 862428553 /nfs/dbraw/zinc/42/85/53/862428553.db2.gz HGAARQONHWDVFZ-CPUCHLNUSA-N 1 0 376.298 3.535 20 30 GHEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000111408875 853171341 /nfs/dbraw/zinc/17/13/41/853171341.db2.gz GNIDLMAMPDVECC-UHFFFAOYSA-N 1 0 381.432 3.955 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000506461296 853176606 /nfs/dbraw/zinc/17/66/06/853176606.db2.gz AJKAPROIHUTSBL-SFHVURJKSA-N 1 0 391.943 3.933 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000280789136 853234126 /nfs/dbraw/zinc/23/41/26/853234126.db2.gz SYXNUGVWVSSXOC-GOSISDBHSA-N 1 0 393.300 3.597 20 30 GHEDRO CCN(C(=O)NCC#Cc1ccccc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473871829 853261845 /nfs/dbraw/zinc/26/18/45/853261845.db2.gz GZOFNVBQAYILJF-NFBKMPQASA-N 1 0 375.516 3.905 20 30 GHEDRO Cc1cc(C)nc(-n2cc(C(=O)NCC3CC[NH+](C4CC4)CC3)c(C(C)C)n2)n1 ZINC000329948209 862447209 /nfs/dbraw/zinc/44/72/09/862447209.db2.gz KNUVOZUNCMKXIN-UHFFFAOYSA-N 1 0 396.539 3.582 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccsc1 ZINC000518398653 853286079 /nfs/dbraw/zinc/28/60/79/853286079.db2.gz AUDZWTGQYUFMNC-IBGZPJMESA-N 1 0 392.484 3.840 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000437641734 853352603 /nfs/dbraw/zinc/35/26/03/853352603.db2.gz RNXFQNSNULYDPL-IFMALSPDSA-N 1 0 385.552 3.699 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000437647460 853361138 /nfs/dbraw/zinc/36/11/38/853361138.db2.gz CWAOMUAJSCXHAU-UZKOGDIHSA-N 1 0 385.552 3.841 20 30 GHEDRO COc1cccc(OC)c1OCCCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000519667887 853375922 /nfs/dbraw/zinc/37/59/22/853375922.db2.gz MHLYKUUXOYIQKW-UHFFFAOYSA-N 1 0 395.503 3.815 20 30 GHEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)C1 ZINC000329960834 862460922 /nfs/dbraw/zinc/46/09/22/862460922.db2.gz RUOSSFPQWPSBQL-KRWDZBQOSA-N 1 0 381.524 3.654 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000491057389 853430032 /nfs/dbraw/zinc/43/00/32/853430032.db2.gz LQXLUILQISZHHA-QFIPXVFZSA-N 1 0 387.527 3.960 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](C3CC3)C2)c1C#N ZINC000491110515 853437060 /nfs/dbraw/zinc/43/70/60/853437060.db2.gz QPNKIRYIDISELB-GOSISDBHSA-N 1 0 380.492 3.678 20 30 GHEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000519822749 853530918 /nfs/dbraw/zinc/53/09/18/853530918.db2.gz QECKWAHMJGXEKG-UHFFFAOYSA-N 1 0 381.501 3.528 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000437803953 853541530 /nfs/dbraw/zinc/54/15/30/853541530.db2.gz BKPQFTPYBCZWPG-QFIPXVFZSA-N 1 0 387.524 3.668 20 30 GHEDRO Cc1nsc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000518715660 853691159 /nfs/dbraw/zinc/69/11/59/853691159.db2.gz HEKDQVXJEBCEDJ-PKOBYXMFSA-N 1 0 395.532 3.842 20 30 GHEDRO Cc1nsc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000518715658 853691194 /nfs/dbraw/zinc/69/11/94/853691194.db2.gz HEKDQVXJEBCEDJ-MJGOQNOKSA-N 1 0 395.532 3.842 20 30 GHEDRO COC(=O)c1ccc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c(C#N)n1 ZINC000571298330 853833351 /nfs/dbraw/zinc/83/33/51/853833351.db2.gz VNRKXIIVUIAQNB-IBGZPJMESA-N 1 0 384.867 3.642 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cccc(CC#N)c1 ZINC000044770655 853834235 /nfs/dbraw/zinc/83/42/35/853834235.db2.gz IJHZTHMEBAFVKV-QFIPXVFZSA-N 1 0 375.516 3.955 20 30 GHEDRO Cc1cnn(CC2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000330013810 862507637 /nfs/dbraw/zinc/50/76/37/862507637.db2.gz MLHGYWDSHQKVMI-UHFFFAOYSA-N 1 0 387.572 3.615 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2(C#N)CCCCC2)[C@@H]1c1cccs1 ZINC000330018168 862510810 /nfs/dbraw/zinc/51/08/10/862510810.db2.gz SIBCKUZDWBFEEI-SJLPKXTDSA-N 1 0 395.594 3.524 20 30 GHEDRO COc1cccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccccc2)c1 ZINC000186954450 862511176 /nfs/dbraw/zinc/51/11/76/862511176.db2.gz GMPDUCPAZTZSEP-UHFFFAOYSA-O 1 0 382.465 3.638 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000520299032 854044144 /nfs/dbraw/zinc/04/41/44/854044144.db2.gz DGGKYIWRXKHXRZ-QGZVFWFLSA-N 1 0 383.458 3.747 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520332073 854088863 /nfs/dbraw/zinc/08/88/63/854088863.db2.gz XZMRBXYSZFPRSE-KZNAEPCWSA-N 1 0 392.503 3.842 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000520338840 854096143 /nfs/dbraw/zinc/09/61/43/854096143.db2.gz XRXRNCHAQFEJKH-OALUTQOASA-N 1 0 385.552 3.980 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000520387615 854159655 /nfs/dbraw/zinc/15/96/55/854159655.db2.gz YOASOXVXNDILSQ-YLJYHZDGSA-N 1 0 385.533 3.602 20 30 GHEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)Cc2ccccc2)nnc1-c1ccoc1C ZINC000588686734 854357788 /nfs/dbraw/zinc/35/77/88/854357788.db2.gz APWIYTAQXPOEDX-GOSISDBHSA-N 1 0 398.532 3.618 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)c1ccco1 ZINC000588766160 854428647 /nfs/dbraw/zinc/42/86/47/854428647.db2.gz GYSNMDYAJHNEAR-YRISNDGFSA-N 1 0 383.492 3.800 20 30 GHEDRO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[N@H+](Cc3ccccc3)C(C)(C)C1)CCC2 ZINC000328659846 854492881 /nfs/dbraw/zinc/49/28/81/854492881.db2.gz UGSQWIFLWNRLDU-FQEVSTJZSA-N 1 0 395.551 3.579 20 30 GHEDRO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000328662350 854494313 /nfs/dbraw/zinc/49/43/13/854494313.db2.gz XFXVKOWHQJPXBR-MKCYZYCBSA-N 1 0 395.613 3.934 20 30 GHEDRO Cn1c(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)nc2cc(Cl)ccc21 ZINC000328682878 854507665 /nfs/dbraw/zinc/50/76/65/854507665.db2.gz DFRPNXYTJGOTCY-UHFFFAOYSA-N 1 0 389.931 3.591 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328695858 854512834 /nfs/dbraw/zinc/51/28/34/854512834.db2.gz DCPYHJXRYRKWOL-KFZJALRRSA-N 1 0 386.414 3.544 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(CN3CCCCC3=O)c2)C[C@@H]1C ZINC000330099508 862573717 /nfs/dbraw/zinc/57/37/17/862573717.db2.gz DCPVSBGCXAMZHM-FXAWDEMLSA-N 1 0 386.540 3.549 20 30 GHEDRO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000458897524 854552747 /nfs/dbraw/zinc/55/27/47/854552747.db2.gz VOBOKBWZNCLODK-FCHUYYIVSA-N 1 0 397.563 3.665 20 30 GHEDRO Cc1cc(C)n(-c2ccccc2CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000328781821 854554536 /nfs/dbraw/zinc/55/45/36/854554536.db2.gz FXBOPBJPFMXAQD-OAQYLSRUSA-N 1 0 395.551 3.567 20 30 GHEDRO CCOc1cc2c(cc1NC(=O)N1CCC([NH+]3CCCCC3)CC1)O[C@H](C)C2 ZINC000328785003 854556387 /nfs/dbraw/zinc/55/63/87/854556387.db2.gz IMYTYDKMWPYBOX-MRXNPFEDSA-N 1 0 387.524 3.905 20 30 GHEDRO COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000328860478 854582162 /nfs/dbraw/zinc/58/21/62/854582162.db2.gz LKFMAGAJKAGURN-HNNXBMFYSA-N 1 0 388.537 3.823 20 30 GHEDRO CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000328902605 854588531 /nfs/dbraw/zinc/58/85/31/854588531.db2.gz GUFFRVKZGXAIPU-VQIMIIECSA-N 1 0 389.565 3.829 20 30 GHEDRO CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000328902926 854588561 /nfs/dbraw/zinc/58/85/61/854588561.db2.gz HEUHJTYHPYNPHM-VQIMIIECSA-N 1 0 389.565 3.687 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000328906314 854617001 /nfs/dbraw/zinc/61/70/01/854617001.db2.gz BJIFKVLIONFCKP-IBGZPJMESA-N 1 0 387.549 3.728 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000589248185 854759912 /nfs/dbraw/zinc/75/99/12/854759912.db2.gz PCUIXQADIWWAAK-IBGZPJMESA-N 1 0 398.514 3.713 20 30 GHEDRO CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000330918531 854786492 /nfs/dbraw/zinc/78/64/92/854786492.db2.gz XHOYLCRGSXKZPZ-UHFFFAOYSA-N 1 0 385.961 3.775 20 30 GHEDRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)s1 ZINC000330974382 854789700 /nfs/dbraw/zinc/78/97/00/854789700.db2.gz LFJORQPTDGUKDJ-LLVKDONJSA-N 1 0 388.331 3.761 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C#N)n1 ZINC000589333491 854794692 /nfs/dbraw/zinc/79/46/92/854794692.db2.gz FZOLRTQMZIUVQD-UHFFFAOYSA-N 1 0 391.302 3.854 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000589343249 854799881 /nfs/dbraw/zinc/79/98/81/854799881.db2.gz COXPELAWGMQGKD-OALUTQOASA-N 1 0 396.288 3.703 20 30 GHEDRO N#Cc1csc(C[NH2+]C[C@H](c2ccccc2)N2CCc3sccc3C2)n1 ZINC000589308768 854801567 /nfs/dbraw/zinc/80/15/67/854801567.db2.gz WDGOCBBITJIVMF-GOSISDBHSA-N 1 0 380.542 3.965 20 30 GHEDRO N#Cc1cnn2c1NC[C@@H](C[NH2+][C@H]1CCOc3c(-c4ccccc4)cccc31)C2 ZINC000520445407 854816326 /nfs/dbraw/zinc/81/63/26/854816326.db2.gz ADSIUBHNQJLGTL-IERDGZPVSA-N 1 0 385.471 3.577 20 30 GHEDRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000589350660 854822837 /nfs/dbraw/zinc/82/28/37/854822837.db2.gz YGRIEKDEQAKXHA-OFNKIYASSA-N 1 0 380.488 3.536 20 30 GHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000589363467 854829401 /nfs/dbraw/zinc/82/94/01/854829401.db2.gz QTIGEQIUABIIDQ-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1CC[NH+](C)CC1 ZINC000589363655 854829473 /nfs/dbraw/zinc/82/94/73/854829473.db2.gz RVTYYVIPXRLMBN-HNNXBMFYSA-N 1 0 379.464 3.597 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cn(C)c3cc(Cl)ccc23)CC1 ZINC000188565521 854877434 /nfs/dbraw/zinc/87/74/34/854877434.db2.gz JXTKHUWYAMLTHX-UHFFFAOYSA-N 1 0 388.943 3.714 20 30 GHEDRO CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000760740603 854943806 /nfs/dbraw/zinc/94/38/06/854943806.db2.gz QUOMOOSPRXVABF-KNQAVFIVSA-N 1 0 391.515 3.815 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cscc3C(F)(F)F)C2=O)cc1 ZINC000589510608 854972417 /nfs/dbraw/zinc/97/24/17/854972417.db2.gz NUZJLHUXLAZKIT-MRXNPFEDSA-N 1 0 379.407 3.924 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(CC)(CC)CC1 ZINC000669334263 855028539 /nfs/dbraw/zinc/02/85/39/855028539.db2.gz AZJPUFMDRFQALS-MOPGFXCFSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(C(C)(C)C)CC1 ZINC000669335700 855046926 /nfs/dbraw/zinc/04/69/26/855046926.db2.gz WIOMIVAEPGQZDQ-MOPGFXCFSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000056795958 855052657 /nfs/dbraw/zinc/05/26/57/855052657.db2.gz RORRNDPXABPANQ-NRFANRHFSA-N 1 0 381.520 3.566 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000056795877 855052778 /nfs/dbraw/zinc/05/27/78/855052778.db2.gz CJYUUBCJZIXWTQ-NRFANRHFSA-N 1 0 385.483 3.835 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc2c(c1)CCCC2 ZINC000186964792 862639727 /nfs/dbraw/zinc/63/97/27/862639727.db2.gz XLKIMUSDEWDOAH-CYBMUJFWSA-O 1 0 386.541 3.785 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(OCc3ccccn3)c2)CC1 ZINC000106260444 855203409 /nfs/dbraw/zinc/20/34/09/855203409.db2.gz PBCAFVOTELFAHS-UHFFFAOYSA-N 1 0 394.519 3.500 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000106340920 855220879 /nfs/dbraw/zinc/22/08/79/855220879.db2.gz BJDRPHYVJFXTOM-IBGZPJMESA-N 1 0 381.524 3.868 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(COCCOc3ccccc3)c2)CC1 ZINC000057175232 855258719 /nfs/dbraw/zinc/25/87/19/855258719.db2.gz DRPONUJVEIVFEJ-UHFFFAOYSA-N 1 0 392.499 3.566 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCN(Cc3c(Cl)cccc3OC(F)F)C2)nc1 ZINC000590052899 855265176 /nfs/dbraw/zinc/26/51/76/855265176.db2.gz CDWZAXJHPKQQEX-ZDUSSCGKSA-N 1 0 379.794 3.861 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829743 855305721 /nfs/dbraw/zinc/30/57/21/855305721.db2.gz UFKMFPATICBEBF-UHFFFAOYSA-N 1 0 397.906 3.619 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000055389404 855313764 /nfs/dbraw/zinc/31/37/64/855313764.db2.gz SYHZEMOGSXUMSA-ROUUACIJSA-N 1 0 395.503 3.828 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cccc(C#N)n1 ZINC000590453251 855428200 /nfs/dbraw/zinc/42/82/00/855428200.db2.gz CSYARNTUCWSAGZ-QFIPXVFZSA-N 1 0 390.531 3.759 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000107540983 855471832 /nfs/dbraw/zinc/47/18/32/855471832.db2.gz FWLOLBFKHMKHBF-RTBURBONSA-N 1 0 391.515 3.874 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091247524 855501081 /nfs/dbraw/zinc/50/10/81/855501081.db2.gz XAQOCWLXXCRTGI-IBGZPJMESA-N 1 0 376.504 3.708 20 30 GHEDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247548 855504993 /nfs/dbraw/zinc/50/49/93/855504993.db2.gz WGTDZVPCCWJLNB-UHFFFAOYSA-N 1 0 376.504 3.708 20 30 GHEDRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000180963385 855515339 /nfs/dbraw/zinc/51/53/39/855515339.db2.gz CPVAKZRSPLTQOS-UHFFFAOYSA-N 1 0 393.535 3.578 20 30 GHEDRO N#Cc1cc2c(nc1N[C@@H]1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCOC2 ZINC000590696926 855551607 /nfs/dbraw/zinc/55/16/07/855551607.db2.gz NBAZXVKEJRGTJT-JMUQELJHSA-N 1 0 388.515 3.739 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc(C#N)nc4ccccc43)CC2)cc1 ZINC000590721756 855560570 /nfs/dbraw/zinc/56/05/70/855560570.db2.gz LAOGHBBMCILTLN-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)cc1 ZINC000330253180 862696224 /nfs/dbraw/zinc/69/62/24/862696224.db2.gz ITUMHHRPVALAJJ-CVNLYIMZSA-N 1 0 399.579 3.855 20 30 GHEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000520533691 855604522 /nfs/dbraw/zinc/60/45/22/855604522.db2.gz DOPOQRUWCXXLCJ-KRWDZBQOSA-N 1 0 382.483 3.574 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3nc4c(cc3C#N)CCCC4)CC2)cc1 ZINC000301069175 855611577 /nfs/dbraw/zinc/61/15/77/855611577.db2.gz DKLYDRZJEFVFTP-UHFFFAOYSA-N 1 0 376.504 3.553 20 30 GHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3cccc(F)c3C#N)CC2)c1C ZINC000301158634 855629939 /nfs/dbraw/zinc/62/99/39/855629939.db2.gz BAFIQEPRXQIJJO-UHFFFAOYSA-N 1 0 382.483 3.819 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@H]1CN(C)CCO1 ZINC000590856151 855630485 /nfs/dbraw/zinc/63/04/85/855630485.db2.gz CHYGAZMJXCHOFJ-HNAYVOBHSA-N 1 0 396.516 3.550 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000590926889 855657048 /nfs/dbraw/zinc/65/70/48/855657048.db2.gz YPGCBSYZUHITOK-IYBDPMFKSA-N 1 0 382.508 3.924 20 30 GHEDRO Cc1cc(N2CCN(c3ncccc3C#N)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301340457 855673425 /nfs/dbraw/zinc/67/34/25/855673425.db2.gz GDAHFDWFNBOZHL-UHFFFAOYSA-N 1 0 395.413 3.738 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cc2)C1 ZINC000301622610 855729384 /nfs/dbraw/zinc/72/93/84/855729384.db2.gz FVTPOZQQBNMVCH-HOTGVXAUSA-N 1 0 379.464 3.951 20 30 GHEDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C(F)(F)F)cc1C#N ZINC000301637471 855731076 /nfs/dbraw/zinc/73/10/76/855731076.db2.gz LYABWPLLUYZLDD-OAHLLOKOSA-N 1 0 389.425 3.595 20 30 GHEDRO Cc1ccnc([C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000574700718 855743423 /nfs/dbraw/zinc/74/34/23/855743423.db2.gz HUUWHKBLQZFDQN-HNNXBMFYSA-N 1 0 380.517 3.630 20 30 GHEDRO CCc1nnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1CC ZINC000301735085 855750560 /nfs/dbraw/zinc/75/05/60/855750560.db2.gz ZOWGLTRUUVDVNQ-CVDCTZTESA-N 1 0 389.547 3.964 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301840674 855767456 /nfs/dbraw/zinc/76/74/56/855767456.db2.gz AZOHKFAHGCZCHB-UXHICEINSA-N 1 0 390.462 3.601 20 30 GHEDRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc3cc(C#N)ccc3n2)CC1 ZINC000301982677 855795596 /nfs/dbraw/zinc/79/55/96/855795596.db2.gz QZRGYOQCDGGGGW-UHFFFAOYSA-N 1 0 385.515 3.856 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000330283686 862721134 /nfs/dbraw/zinc/72/11/34/862721134.db2.gz WKLWFLDHVGWNBL-FQEVSTJZSA-N 1 0 381.524 3.704 20 30 GHEDRO CC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@H](C)c1ccc(C#N)cc1 ZINC000249808999 855835325 /nfs/dbraw/zinc/83/53/25/855835325.db2.gz YBMISWLZNWXRDD-NQIIRXRSSA-N 1 0 376.504 3.969 20 30 GHEDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000591277800 855880301 /nfs/dbraw/zinc/88/03/01/855880301.db2.gz ZPBGKQNITXWTPZ-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO COc1ccc([C@H](CNc2ccc3cc(C#N)ccc3n2)[NH+](C)C)cc1OC ZINC000302572578 855881595 /nfs/dbraw/zinc/88/15/95/855881595.db2.gz RAKPFGQDJSSEDW-IBGZPJMESA-N 1 0 376.460 3.838 20 30 GHEDRO C[N@H+](CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465761959 855891974 /nfs/dbraw/zinc/89/19/74/855891974.db2.gz VFPCSBAFOVYUAR-VXKWHMMOSA-N 1 0 376.504 3.600 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000554491382 855918136 /nfs/dbraw/zinc/91/81/36/855918136.db2.gz PCBUNVOKVIAAJJ-WYNBGMTASA-N 1 0 396.535 3.516 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000108592572 855951049 /nfs/dbraw/zinc/95/10/49/855951049.db2.gz ZQPRJDNCWZJNKL-FYYLOGMGSA-N 1 0 391.515 3.742 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045813841 856028496 /nfs/dbraw/zinc/02/84/96/856028496.db2.gz RQYWWAPTKSGERI-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO Cc1c2ccccc2oc1[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000554737756 856037464 /nfs/dbraw/zinc/03/74/64/856037464.db2.gz KCYKTGNMAUPEOU-HXUWFJFHSA-N 1 0 397.500 3.769 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(F)c1 ZINC000171292833 856079363 /nfs/dbraw/zinc/07/93/63/856079363.db2.gz SFZFHTVRSSSHJU-NRFANRHFSA-N 1 0 380.467 3.674 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000109014965 856098077 /nfs/dbraw/zinc/09/80/77/856098077.db2.gz SQMZPQQWSGNNOQ-CYBMUJFWSA-N 1 0 382.489 3.648 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccc5c(c4)OCCO5)CCCC3)n2c1 ZINC000123203400 856098394 /nfs/dbraw/zinc/09/83/94/856098394.db2.gz RIZQZTRHRVQCKI-UHFFFAOYSA-N 1 0 388.471 3.579 20 30 GHEDRO C=CCCOCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605103222 862759144 /nfs/dbraw/zinc/75/91/44/862759144.db2.gz LYCQDEXZFFARLL-VQIMIIECSA-N 1 0 384.442 3.797 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c[nH]cc3-c3ccccc3)CC2)c1 ZINC000593882296 862764712 /nfs/dbraw/zinc/76/47/12/862764712.db2.gz GTQSXDBOVQVRMZ-UHFFFAOYSA-N 1 0 384.483 3.948 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)s1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000591550721 856170760 /nfs/dbraw/zinc/17/07/60/856170760.db2.gz MYLVLKSDZMJQPI-FUHWJXTLSA-N 1 0 382.533 3.987 20 30 GHEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000181134861 862765234 /nfs/dbraw/zinc/76/52/34/862765234.db2.gz LNNVZLAQRAYPSN-FYYLOGMGSA-N 1 0 395.478 3.516 20 30 GHEDRO N#Cc1ccc(NC(=O)CCN2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000109094213 856227258 /nfs/dbraw/zinc/22/72/58/856227258.db2.gz UHZGFGCDKMSISJ-UHFFFAOYSA-N 1 0 396.922 3.748 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000485232144 856238653 /nfs/dbraw/zinc/23/86/53/856238653.db2.gz PKAIOHLDIXMHDS-UHFFFAOYSA-N 1 0 388.515 3.759 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC000171732714 856246127 /nfs/dbraw/zinc/24/61/27/856246127.db2.gz CRJQAWIOQJQLBH-UHFFFAOYSA-N 1 0 383.458 3.933 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157458913 856271072 /nfs/dbraw/zinc/27/10/72/856271072.db2.gz ORQASLZHSBKWER-SFTDATJTSA-N 1 0 382.552 3.581 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CC)Cc2cccc(Br)c2)CC1 ZINC000172211229 856371559 /nfs/dbraw/zinc/37/15/59/856371559.db2.gz GYEFCBDAGYVWBH-INIZCTEOSA-N 1 0 379.342 3.784 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(-c4ccccc4)s3)C2=O)cc1 ZINC000485348866 856376305 /nfs/dbraw/zinc/37/63/05/856376305.db2.gz PWYMZJWVQFQJEZ-HXUWFJFHSA-N 1 0 388.496 3.967 20 30 GHEDRO C=C1CCC(C[NH2+]C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 ZINC000905567065 856398873 /nfs/dbraw/zinc/39/88/73/856398873.db2.gz XRPBYHUROBKNHW-LJQANCHMSA-N 1 0 396.453 3.503 20 30 GHEDRO C[NH+](C)CCCOc1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000110488868 856571408 /nfs/dbraw/zinc/57/14/08/856571408.db2.gz PGASEGZFTGZDMY-UHFFFAOYSA-N 1 0 383.517 3.761 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000507860693 856584417 /nfs/dbraw/zinc/58/44/17/856584417.db2.gz QJFOEDYOQPZWHV-UHFFFAOYSA-N 1 0 397.906 3.761 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000172831525 856626125 /nfs/dbraw/zinc/62/61/25/856626125.db2.gz QPVRIDDYPKPDIM-GOSISDBHSA-N 1 0 381.476 3.677 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccnc2Nc2ccc(OCC)cc2)CC1 ZINC000592075626 856653126 /nfs/dbraw/zinc/65/31/26/856653126.db2.gz QLQJEHTUJIODLA-UHFFFAOYSA-N 1 0 394.519 3.994 20 30 GHEDRO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000330305154 862821137 /nfs/dbraw/zinc/82/11/37/862821137.db2.gz KSSMMZKQOSITPK-GSQFEDNKSA-N 1 0 390.572 3.630 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C1(CO)CC=CC1 ZINC000592179289 856680972 /nfs/dbraw/zinc/68/09/72/856680972.db2.gz LSQPJUHHBIJUMC-HXUWFJFHSA-N 1 0 389.927 3.530 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000592185094 856684223 /nfs/dbraw/zinc/68/42/23/856684223.db2.gz VNCADYQSYGHIIL-WOJBJXKFSA-N 1 0 383.536 3.830 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000427819591 856766476 /nfs/dbraw/zinc/76/64/76/856766476.db2.gz RAXLAOFZWUZAMP-SOZUMNATSA-N 1 0 389.908 3.892 20 30 GHEDRO C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000485729659 857003009 /nfs/dbraw/zinc/00/30/09/857003009.db2.gz FSKPVEAOCWHLGF-QGZVFWFLSA-N 1 0 379.504 3.872 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063753986 857050669 /nfs/dbraw/zinc/05/06/69/857050669.db2.gz YCJPEMRRAPCEDM-UHFFFAOYSA-N 1 0 396.878 3.561 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)ccc1OC ZINC000733329861 862871587 /nfs/dbraw/zinc/87/15/87/862871587.db2.gz BFPGYUHFQNNOBC-QGZVFWFLSA-N 1 0 380.448 3.958 20 30 GHEDRO CC[NH+](CC)CCSCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000174022865 857199028 /nfs/dbraw/zinc/19/90/28/857199028.db2.gz BFCZFJFJBDOAKY-UHFFFAOYSA-N 1 0 388.537 3.631 20 30 GHEDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000508340250 857200281 /nfs/dbraw/zinc/20/02/81/857200281.db2.gz QLBTXFZJLDTUGY-INIZCTEOSA-N 1 0 383.517 3.807 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112791687 857208713 /nfs/dbraw/zinc/20/87/13/857208713.db2.gz YYMKMUVRBWAUII-WOJBJXKFSA-N 1 0 383.442 3.530 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000592400466 857322152 /nfs/dbraw/zinc/32/21/52/857322152.db2.gz UETFXDGIVDJJNA-KDOFPFPSSA-N 1 0 389.421 3.833 20 30 GHEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246251400 857324304 /nfs/dbraw/zinc/32/43/04/857324304.db2.gz LPUDJMFHCSRRFS-SJORKVTESA-N 1 0 390.553 3.559 20 30 GHEDRO CC(C)(C#N)c1ccc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000593071082 857334936 /nfs/dbraw/zinc/33/49/36/857334936.db2.gz XXKIECOCSRPYPG-RPWUZVMVSA-N 1 0 389.543 3.963 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C ZINC001168757788 857403633 /nfs/dbraw/zinc/40/36/33/857403633.db2.gz LBRHUDIXSJXMQN-AZUAARDMSA-N 1 0 385.552 3.843 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSCc1ccc(C#N)cc1 ZINC000174926465 857407818 /nfs/dbraw/zinc/40/78/18/857407818.db2.gz DZWQSGPCQASOGC-QFIPXVFZSA-N 1 0 393.556 3.772 20 30 GHEDRO C[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1c1ccccc1 ZINC000246603850 857415045 /nfs/dbraw/zinc/41/50/45/857415045.db2.gz GHIYAGKYHQUHKQ-XMSQKQJNSA-N 1 0 399.498 3.808 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000042643689 857417141 /nfs/dbraw/zinc/41/71/41/857417141.db2.gz NRAZFSZAAGUTPD-GOSISDBHSA-N 1 0 394.494 3.541 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000593281670 857448624 /nfs/dbraw/zinc/44/86/24/857448624.db2.gz KWKGTWSOHBLHPA-UHFFFAOYSA-N 1 0 380.492 3.965 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1C#N ZINC000246820914 857470493 /nfs/dbraw/zinc/47/04/93/857470493.db2.gz QAKODJJWSGRLAL-FXAWDEMLSA-N 1 0 386.540 3.513 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593351590 857513163 /nfs/dbraw/zinc/51/31/63/857513163.db2.gz NAYCXQUBADPIAN-UHFFFAOYSA-N 1 0 386.499 3.754 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000672684277 857585169 /nfs/dbraw/zinc/58/51/69/857585169.db2.gz VTEYUDAHTVJPSX-UHFFFAOYSA-N 1 0 379.468 3.655 20 30 GHEDRO N#CCC[C@H](NC(=O)c1cnn(-c2ccncc2)c1C(F)F)c1ccccc1 ZINC000486285356 857618697 /nfs/dbraw/zinc/61/86/97/857618697.db2.gz QVOYPIOLOVNFSI-KRWDZBQOSA-N 1 0 381.386 3.980 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442217535 857632031 /nfs/dbraw/zinc/63/20/31/857632031.db2.gz RUPMELOVLTXUAM-OAHLLOKOSA-N 1 0 384.402 3.795 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)([NH+](C)C)C1 ZINC000521113930 857633991 /nfs/dbraw/zinc/63/39/91/857633991.db2.gz IYGHKGRYWRVUPO-UZUQRXQVSA-N 1 0 392.503 3.986 20 30 GHEDRO Cc1cc(CC(C)(C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1Br ZINC000592514948 857642735 /nfs/dbraw/zinc/64/27/35/857642735.db2.gz MLXXYXJXOMOZTR-UHFFFAOYSA-N 1 0 398.308 3.783 20 30 GHEDRO N#Cc1cccc(CNC(=O)CN(Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000521188011 857723821 /nfs/dbraw/zinc/72/38/21/857723821.db2.gz FYADULYOBPWKCU-UHFFFAOYSA-N 1 0 387.405 3.858 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000594050895 857855172 /nfs/dbraw/zinc/85/51/72/857855172.db2.gz KMLXTGHMHKRNGK-CQSZACIVSA-N 1 0 382.533 3.989 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)[NH+](C)C)c1 ZINC000066175172 857987468 /nfs/dbraw/zinc/98/74/68/857987468.db2.gz SYSGZLLVLKKZNR-QFIPXVFZSA-N 1 0 394.519 3.790 20 30 GHEDRO C=CCN1C(=O)N(CCCC[N@H+]2CCCC[C@@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000761050441 857989319 /nfs/dbraw/zinc/98/93/19/857989319.db2.gz LFIQYZPTNYTMRL-FPOVZHCZSA-N 1 0 383.536 3.703 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](COc2ccccc2)c2ccccc2)CC1 ZINC000594301859 858034126 /nfs/dbraw/zinc/03/41/26/858034126.db2.gz FJYGUJKZZIZNBA-JOCHJYFZSA-N 1 0 379.504 3.756 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1ccc(Br)c(C)c1 ZINC000521519142 858069932 /nfs/dbraw/zinc/06/99/32/858069932.db2.gz GODVUIVLROQYRV-CYBMUJFWSA-N 1 0 380.330 3.590 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000594360660 858103476 /nfs/dbraw/zinc/10/34/76/858103476.db2.gz AUCSGOWWLDQCRW-FDDCHVKYSA-N 1 0 393.531 3.943 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccncc2CC)cc1 ZINC000543052793 858108630 /nfs/dbraw/zinc/10/86/30/858108630.db2.gz SVVCPVABHLCDGP-KRWDZBQOSA-N 1 0 380.492 3.640 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000078602553 858124121 /nfs/dbraw/zinc/12/41/21/858124121.db2.gz VGMJJSTUGANJOL-HXUWFJFHSA-N 1 0 387.524 3.591 20 30 GHEDRO Cc1nc(CN2CCC(C(=O)NC3(c4ccc(C#N)cc4)CCC3)CC2)cs1 ZINC000594403799 858132657 /nfs/dbraw/zinc/13/26/57/858132657.db2.gz OZHMFVPYWZTOPF-UHFFFAOYSA-N 1 0 394.544 3.731 20 30 GHEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000439062178 858178902 /nfs/dbraw/zinc/17/89/02/858178902.db2.gz MTSSDHMKUJLBPB-IBGZPJMESA-N 1 0 396.491 3.565 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000594447593 858179097 /nfs/dbraw/zinc/17/90/97/858179097.db2.gz ZZCNTJXRWZFTKF-QGZVFWFLSA-N 1 0 378.314 3.566 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000594420606 858183694 /nfs/dbraw/zinc/18/36/94/858183694.db2.gz CGXTWCVMNILMBK-GOSISDBHSA-N 1 0 384.483 3.634 20 30 GHEDRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594427776 858185058 /nfs/dbraw/zinc/18/50/58/858185058.db2.gz WKKHJBAOLVYUEK-HNNXBMFYSA-N 1 0 399.322 3.582 20 30 GHEDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594520115 858207744 /nfs/dbraw/zinc/20/77/44/858207744.db2.gz ZIUWTFNQQFAANP-MRXNPFEDSA-N 1 0 383.517 3.553 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000594919880 858305091 /nfs/dbraw/zinc/30/50/91/858305091.db2.gz CWDXTEZKGHDOQX-AUSIDOKSSA-N 1 0 375.516 3.621 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]CCNC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000594928448 858306593 /nfs/dbraw/zinc/30/65/93/858306593.db2.gz YZDVZHWTXXWROG-UHFFFAOYSA-N 1 0 398.304 3.524 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000574782798 858317770 /nfs/dbraw/zinc/31/77/70/858317770.db2.gz GHBBJVWPCSCGDI-VQTJNVASSA-N 1 0 390.487 3.519 20 30 GHEDRO COC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000594969864 858334550 /nfs/dbraw/zinc/33/45/50/858334550.db2.gz RGOXRPWMCDMTSS-QHCPKHFHSA-N 1 0 379.504 3.509 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000594939209 858340647 /nfs/dbraw/zinc/34/06/47/858340647.db2.gz RLNOBIUOCSNRAB-VTLFHKLASA-N 1 0 393.487 3.601 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(C#N)cc1 ZINC000521822532 858355824 /nfs/dbraw/zinc/35/58/24/858355824.db2.gz UWCZZWOJGSFHBV-NRFANRHFSA-N 1 0 377.488 3.656 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000595060670 858367247 /nfs/dbraw/zinc/36/72/47/858367247.db2.gz NRYPSTASHLISJQ-CQSZACIVSA-N 1 0 386.293 3.870 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccncc2s1 ZINC000595040136 858376323 /nfs/dbraw/zinc/37/63/23/858376323.db2.gz HGJLAPAZZBLAKL-RDTXWAMCSA-N 1 0 376.485 3.620 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595235135 858448085 /nfs/dbraw/zinc/44/80/85/858448085.db2.gz RCXLQHDHOCVWKF-BHIFYINESA-N 1 0 390.487 3.651 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](O)C34CCCC4)cc2)C1 ZINC000330345689 863028896 /nfs/dbraw/zinc/02/88/96/863028896.db2.gz FMWHHESRAIJUDW-NQIIRXRSSA-N 1 0 385.552 3.712 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521992628 858516059 /nfs/dbraw/zinc/51/60/59/858516059.db2.gz HKAJMBYFKHRZOD-IAGOWNOFSA-N 1 0 378.476 3.738 20 30 GHEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000282336998 858536843 /nfs/dbraw/zinc/53/68/43/858536843.db2.gz OMSLIYJEIGPDHR-VOMCLLRMSA-N 1 0 390.336 3.621 20 30 GHEDRO CC(C)(C)OC(=O)CC1([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCOCC1 ZINC000595552355 858564906 /nfs/dbraw/zinc/56/49/06/858564906.db2.gz YJVPHNRYRCXCLL-UHFFFAOYSA-N 1 0 398.425 3.948 20 30 GHEDRO C/C(=C\C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000171950577 863040718 /nfs/dbraw/zinc/04/07/18/863040718.db2.gz RMNXDIQUBUGSIZ-NBVRZTHBSA-N 1 0 377.463 3.835 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000595693313 858649640 /nfs/dbraw/zinc/64/96/40/858649640.db2.gz MCPQDUNVFSZEHN-XXBNENTESA-N 1 0 390.531 3.701 20 30 GHEDRO C=CCCSCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000595725438 858659949 /nfs/dbraw/zinc/65/99/49/858659949.db2.gz XRIGDZFGMUFEHU-UHFFFAOYSA-N 1 0 376.570 3.639 20 30 GHEDRO Cc1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c(Cl)c1 ZINC000595763785 858662635 /nfs/dbraw/zinc/66/26/35/858662635.db2.gz CRWUETUBXJNHCK-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@]4(CC4(F)F)C3)sc2C1 ZINC000593118844 858664205 /nfs/dbraw/zinc/66/42/05/858664205.db2.gz SOPJCBNTWMKCLG-SGTLLEGYSA-N 1 0 379.476 3.804 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cc4c(cc3Cl)OCCO4)CCOCC2)c1 ZINC000595767555 858664911 /nfs/dbraw/zinc/66/49/11/858664911.db2.gz DQPBWTUYGZLNEW-UHFFFAOYSA-N 1 0 384.863 3.778 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)ccc1OCc1cccc(C#N)c1 ZINC000595784423 858686213 /nfs/dbraw/zinc/68/62/13/858686213.db2.gz VKNVPVJZZATVTB-YADHBBJMSA-N 1 0 378.472 3.539 20 30 GHEDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000595823720 858698866 /nfs/dbraw/zinc/69/88/66/858698866.db2.gz PYWGTMACNJDURF-JOCHJYFZSA-N 1 0 390.531 3.574 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595828656 858701329 /nfs/dbraw/zinc/70/13/29/858701329.db2.gz LQOHSGDJIQGZIS-HNNXBMFYSA-N 1 0 381.259 3.576 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000595831339 858702224 /nfs/dbraw/zinc/70/22/24/858702224.db2.gz NZJQTQWLOBJHTE-NHCUHLMSSA-N 1 0 378.472 3.614 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595873344 858721424 /nfs/dbraw/zinc/72/14/24/858721424.db2.gz LYOXQZRYKUDXEU-JOCHJYFZSA-N 1 0 376.504 3.754 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC#N)C2)[NH+]2CCCCC2)cc1 ZINC000596090672 858779602 /nfs/dbraw/zinc/77/96/02/858779602.db2.gz RROPNXXXAUCGHJ-GHTZIAJQSA-N 1 0 384.524 3.557 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000181956032 863063606 /nfs/dbraw/zinc/06/36/06/863063606.db2.gz VRUSKRWFRPERJJ-HOCLYGCPSA-N 1 0 377.431 3.792 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000507178587 858791382 /nfs/dbraw/zinc/79/13/82/858791382.db2.gz LUZKONJPASJOIJ-SFHVURJKSA-N 1 0 379.508 3.541 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000596165488 858810207 /nfs/dbraw/zinc/81/02/07/858810207.db2.gz SSAWEIHIVXZKPW-XMSQKQJNSA-N 1 0 376.504 3.578 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000596165482 858810229 /nfs/dbraw/zinc/81/02/29/858810229.db2.gz SSAWEIHIVXZKPW-AVRDEDQJSA-N 1 0 376.504 3.578 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(c3nc(C#N)c(Cl)s3)C2)ccn1 ZINC000856535369 881347423 /nfs/dbraw/zinc/34/74/23/881347423.db2.gz WQARSXTYGONGOR-OAHLLOKOSA-N 1 0 391.928 3.561 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000596268251 858832346 /nfs/dbraw/zinc/83/23/46/858832346.db2.gz IOJBJCYZEMDWIF-UHFFFAOYSA-N 1 0 384.911 3.759 20 30 GHEDRO COc1ccc(C[C@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)c([N+](=O)[O-])c1 ZINC001170318288 881350068 /nfs/dbraw/zinc/35/00/68/881350068.db2.gz OCLDWURHCZAXLS-AWEZNQCLSA-N 1 0 378.432 3.735 20 30 GHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596423265 858892196 /nfs/dbraw/zinc/89/21/96/858892196.db2.gz KQEKNWYYSNJTMX-GOSISDBHSA-N 1 0 394.425 3.563 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCc1ccc(C#N)cc1 ZINC000596486062 858909809 /nfs/dbraw/zinc/90/98/09/858909809.db2.gz SDCHTPWXFCGKRA-OALUTQOASA-N 1 0 390.531 3.557 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000160454233 858919179 /nfs/dbraw/zinc/91/91/79/858919179.db2.gz UTQKIWJQQRQEEL-JOCHJYFZSA-N 1 0 385.552 3.980 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)c1 ZINC000593216647 859001104 /nfs/dbraw/zinc/00/11/04/859001104.db2.gz AWULRZYNYOCIIC-UHFFFAOYSA-N 1 0 387.530 3.547 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000625854227 859026616 /nfs/dbraw/zinc/02/66/16/859026616.db2.gz CUMOVJDZLIEWCE-SCZZXKLOSA-N 1 0 387.299 3.836 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160602257 859045659 /nfs/dbraw/zinc/04/56/59/859045659.db2.gz OBDTYORWABYEHH-NRFANRHFSA-N 1 0 382.483 3.944 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000483032599 859080224 /nfs/dbraw/zinc/08/02/24/859080224.db2.gz ZWXRJOTWGIBJJV-SIKLNZKXSA-N 1 0 397.563 3.533 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3cccc(F)c3)c2CCC)CC1 ZINC000543281933 859145066 /nfs/dbraw/zinc/14/50/66/859145066.db2.gz VCEVPYIRMITHGZ-UHFFFAOYSA-N 1 0 384.499 3.734 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CCCCC1 ZINC000625935230 859187445 /nfs/dbraw/zinc/18/74/45/859187445.db2.gz RSLPZBKSMVQSTR-UHFFFAOYSA-N 1 0 397.563 3.584 20 30 GHEDRO N#Cc1c(F)cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000596996549 859235928 /nfs/dbraw/zinc/23/59/28/859235928.db2.gz SZYOVJXNCHICQD-UHFFFAOYSA-N 1 0 375.444 3.540 20 30 GHEDRO C[C@H](NC(=O)CC1(C#N)CCCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000597044060 859248210 /nfs/dbraw/zinc/24/82/10/859248210.db2.gz VMMSYNHYFVAQJA-KRWDZBQOSA-N 1 0 386.515 3.619 20 30 GHEDRO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CCCCO1 ZINC000470211363 859249281 /nfs/dbraw/zinc/24/92/81/859249281.db2.gz ZHHVJXZZNWHDAH-IBGZPJMESA-N 1 0 377.916 3.868 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000601561288 859335492 /nfs/dbraw/zinc/33/54/92/859335492.db2.gz QALCRRXTELZPRE-ZIFCJYIRSA-N 1 0 380.879 3.964 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000108709055 859342723 /nfs/dbraw/zinc/34/27/23/859342723.db2.gz YQQFEMINBBYXCM-PNEAOOGRSA-N 1 0 384.523 3.745 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000474158259 859371852 /nfs/dbraw/zinc/37/18/52/859371852.db2.gz JWDLLRDSHNDJSK-UHFFFAOYSA-N 1 0 375.451 3.595 20 30 GHEDRO COc1cccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593315603 859386399 /nfs/dbraw/zinc/38/63/99/859386399.db2.gz IVZFFCLRZQVEQA-QGZVFWFLSA-N 1 0 392.503 3.592 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H](CF)c3ccc(F)cc3)CC2)c1 ZINC000601622858 859386794 /nfs/dbraw/zinc/38/67/94/859386794.db2.gz ZAXZSWAAXSYWKG-NRFANRHFSA-N 1 0 398.457 3.672 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001127760356 859429521 /nfs/dbraw/zinc/42/95/21/859429521.db2.gz YMFJLWSDEGZYID-YADHBBJMSA-N 1 0 377.488 3.819 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000593330983 859432292 /nfs/dbraw/zinc/43/22/92/859432292.db2.gz PAXPQDVHPTZARJ-YADHBBJMSA-N 1 0 392.478 3.517 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000761219987 859441265 /nfs/dbraw/zinc/44/12/65/859441265.db2.gz RAVMQUAXCNOVJQ-UHFFFAOYSA-N 1 0 398.503 3.599 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccc4ccccc4n3)CC2)c1 ZINC000593346716 859512595 /nfs/dbraw/zinc/51/25/95/859512595.db2.gz CBUCYJFLYASAHW-UHFFFAOYSA-N 1 0 399.498 3.570 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001183044831 912212267 /nfs/dbraw/zinc/21/22/67/912212267.db2.gz NQCMSCMGMBJHLO-QGZVFWFLSA-N 1 0 383.319 3.763 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@]34CCCc3ccccc34)CC2)c1 ZINC000593352861 859537024 /nfs/dbraw/zinc/53/70/24/859537024.db2.gz GCOHEJGCERPMOJ-AOYPEHQESA-N 1 0 399.538 3.933 20 30 GHEDRO Cc1nc2ccccc2cc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593348948 859540034 /nfs/dbraw/zinc/54/00/34/859540034.db2.gz OUXZBZCUDYBNQJ-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)c1 ZINC000593354253 859553115 /nfs/dbraw/zinc/55/31/15/859553115.db2.gz NLJNQBGWTRGRFV-RBUKOAKNSA-N 1 0 395.453 3.721 20 30 GHEDRO C[C@H](SCc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355305 859558861 /nfs/dbraw/zinc/55/88/61/859558861.db2.gz NSXFNEDQCJKXEX-SFHVURJKSA-N 1 0 393.556 3.961 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3c[nH]c4cc(F)ccc34)CC2)c1 ZINC000593356598 859573516 /nfs/dbraw/zinc/57/35/16/859573516.db2.gz XVMNUKGJDBIUOQ-UHFFFAOYSA-N 1 0 390.462 3.502 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CC)Oc2ccccc2Cl)CC1 ZINC000483751861 859589421 /nfs/dbraw/zinc/58/94/21/859589421.db2.gz LKIZMILEFZLURU-QGZVFWFLSA-N 1 0 379.932 3.837 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000611076614 859601033 /nfs/dbraw/zinc/60/10/33/859601033.db2.gz UUDFFDVDEOHMMO-YLJYHZDGSA-N 1 0 394.494 3.797 20 30 GHEDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cc(C#N)cs3)C2=O)ccc1Br ZINC000185188678 859672774 /nfs/dbraw/zinc/67/27/74/859672774.db2.gz WGCYWCDXVBOPIR-MRXNPFEDSA-N 1 0 390.306 3.586 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000895611243 859718162 /nfs/dbraw/zinc/71/81/62/859718162.db2.gz VFGWYWSKIHJOOU-GFCCVEGCSA-N 1 0 382.258 3.546 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3C[C@H](c4ccccc4)C3)CC2)c1 ZINC000593399524 859723563 /nfs/dbraw/zinc/72/35/63/859723563.db2.gz HMSMOCACZCWZAL-AFARHQOCSA-N 1 0 388.515 3.768 20 30 GHEDRO C[C@@H](CC#N)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000597685232 859727394 /nfs/dbraw/zinc/72/73/94/859727394.db2.gz PWAKOSCZFZTRPP-UGKGYDQZSA-N 1 0 376.504 3.625 20 30 GHEDRO Cc1cccc([C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)c1 ZINC000611390612 859734053 /nfs/dbraw/zinc/73/40/53/859734053.db2.gz LAHXERUJLFMMEP-BJKOFHAPSA-N 1 0 375.516 3.907 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@H](C[N@@H+](C)CC)C2)c1=S ZINC000765035911 859743254 /nfs/dbraw/zinc/74/32/54/859743254.db2.gz FFEWUEQWFSWMBK-OAHLLOKOSA-N 1 0 377.583 3.560 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000597705390 859754617 /nfs/dbraw/zinc/75/46/17/859754617.db2.gz MDHXQFPFXYNWJB-GOSISDBHSA-N 1 0 375.444 3.591 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1C#N ZINC000611501695 859787331 /nfs/dbraw/zinc/78/73/31/859787331.db2.gz HFHWOMKWGHGIDK-KUHUBIRLSA-N 1 0 386.471 3.626 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000611517932 859796792 /nfs/dbraw/zinc/79/67/92/859796792.db2.gz XUICTYPNHPMPRO-UHFFFAOYSA-N 1 0 376.460 3.608 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000611530534 859801993 /nfs/dbraw/zinc/80/19/93/859801993.db2.gz OJDRXCBZEJFYRI-LJQANCHMSA-N 1 0 379.464 3.549 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1C ZINC000597859896 859877342 /nfs/dbraw/zinc/87/73/42/859877342.db2.gz ZYPXZNDQHAAOEA-IBGZPJMESA-N 1 0 393.535 3.683 20 30 GHEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000765277054 859880777 /nfs/dbraw/zinc/88/07/77/859880777.db2.gz OIMJGIMDWBBRMF-LJQANCHMSA-N 1 0 383.515 3.777 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000597904518 859921054 /nfs/dbraw/zinc/92/10/54/859921054.db2.gz HOKSNSFJJKJSJH-GOSISDBHSA-N 1 0 378.520 3.560 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000597904519 859921178 /nfs/dbraw/zinc/92/11/78/859921178.db2.gz HOKSNSFJJKJSJH-SFHVURJKSA-N 1 0 378.520 3.560 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC000597925414 859931300 /nfs/dbraw/zinc/93/13/00/859931300.db2.gz OSUZFBOSMAPLMZ-IBGZPJMESA-N 1 0 393.535 3.683 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602376653 859977169 /nfs/dbraw/zinc/97/71/69/859977169.db2.gz WNYJFRPWPOVICR-KRWDZBQOSA-N 1 0 383.323 3.931 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2cnc3ccccc3n2)c1C ZINC000727255774 860006787 /nfs/dbraw/zinc/00/67/87/860006787.db2.gz FSRCKQBCQSOKHK-LJQANCHMSA-N 1 0 376.508 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000895854100 860008403 /nfs/dbraw/zinc/00/84/03/860008403.db2.gz JFQDQDYPXJXTIG-AWEZNQCLSA-N 1 0 383.414 3.679 20 30 GHEDRO Cc1cc(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)ncc1C#N ZINC000598028138 860009123 /nfs/dbraw/zinc/00/91/23/860009123.db2.gz MYUCOYWAXXIQEA-UHFFFAOYSA-N 1 0 377.473 3.718 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=S)Nc1ccc2c(c1)OCCCO2)C(C)C ZINC000727272948 860022852 /nfs/dbraw/zinc/02/28/52/860022852.db2.gz AWRXSMPPZINZGQ-GOSISDBHSA-N 1 0 389.565 3.833 20 30 GHEDRO C=CCn1c(SC[C@H]2CC[N@H+](C)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000484492763 860032380 /nfs/dbraw/zinc/03/23/80/860032380.db2.gz UAQPNLGJMILPKO-KGLIPLIRSA-N 1 0 389.590 3.813 20 30 GHEDRO C=CCn1c(SC[C@H]2CC[N@H+](C)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000484492760 860032586 /nfs/dbraw/zinc/03/25/86/860032586.db2.gz UAQPNLGJMILPKO-KBPBESRZSA-N 1 0 389.590 3.813 20 30 GHEDRO CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510360 860050008 /nfs/dbraw/zinc/05/00/08/860050008.db2.gz VEWDASIHWXXPLW-UHFFFAOYSA-N 1 0 376.504 3.754 20 30 GHEDRO COCC[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000092567707 860078837 /nfs/dbraw/zinc/07/88/37/860078837.db2.gz OOQBFEXOLANVRQ-UHFFFAOYSA-N 1 0 382.414 3.875 20 30 GHEDRO CCSCC[C@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513136 860083145 /nfs/dbraw/zinc/08/31/45/860083145.db2.gz XONUFYULXYITRO-KRWDZBQOSA-N 1 0 388.581 3.696 20 30 GHEDRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602527027 860098391 /nfs/dbraw/zinc/09/83/91/860098391.db2.gz ICMCFCUUKHBBCE-DOTOQJQBSA-N 1 0 377.916 3.616 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000602526700 860099308 /nfs/dbraw/zinc/09/93/08/860099308.db2.gz NSRNOTOJILLMSU-QGZVFWFLSA-N 1 0 378.476 3.522 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc4ccc(F)c(F)c4n3)CC2)nc1 ZINC000602534961 860103746 /nfs/dbraw/zinc/10/37/46/860103746.db2.gz WRUGSRVJTCQNLH-UHFFFAOYSA-N 1 0 379.414 3.538 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000602560576 860111723 /nfs/dbraw/zinc/11/17/23/860111723.db2.gz YOXWXLCPGDSWDO-WBVHZDCISA-N 1 0 381.442 3.973 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2)nc1 ZINC000598222057 860167514 /nfs/dbraw/zinc/16/75/14/860167514.db2.gz ZNFVVBXLPDGNGU-IBGZPJMESA-N 1 0 390.487 3.882 20 30 GHEDRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000484634169 860185741 /nfs/dbraw/zinc/18/57/41/860185741.db2.gz CORYIXCECTVVTJ-IRLDBZIGSA-N 1 0 398.528 3.620 20 30 GHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000185433388 860193454 /nfs/dbraw/zinc/19/34/54/860193454.db2.gz WMRQXEDXOAZUJI-KRWDZBQOSA-N 1 0 381.476 3.725 20 30 GHEDRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc(C#N)n2)cc1 ZINC000602659419 860196649 /nfs/dbraw/zinc/19/66/49/860196649.db2.gz NKOGFYVZUWEQIT-UHFFFAOYSA-N 1 0 375.476 3.641 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000484630209 860203518 /nfs/dbraw/zinc/20/35/18/860203518.db2.gz FCNUKINKHLHUOZ-FCHUYYIVSA-N 1 0 398.528 3.620 20 30 GHEDRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000484633016 860206805 /nfs/dbraw/zinc/20/68/05/860206805.db2.gz CCYKIMNNKKDQSV-IRLDBZIGSA-N 1 0 398.528 3.620 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000602711755 860224903 /nfs/dbraw/zinc/22/49/03/860224903.db2.gz KLYKZHTVBYOCSG-GCJKJVERSA-N 1 0 386.536 3.975 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508956292 860273086 /nfs/dbraw/zinc/27/30/86/860273086.db2.gz OOWWPQANGGYLQG-YADHBBJMSA-N 1 0 391.563 3.908 20 30 GHEDRO N#CCC1(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000602821206 860313078 /nfs/dbraw/zinc/31/30/78/860313078.db2.gz MTSKFYHWDPVFQP-CYBMUJFWSA-N 1 0 377.204 3.785 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NC1(c2cc(Cl)cc(Br)c2)CC1 ZINC001119316172 860327045 /nfs/dbraw/zinc/32/70/45/860327045.db2.gz DMVPUSCSULJJFC-CQSZACIVSA-N 1 0 384.705 3.619 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000602918194 860367203 /nfs/dbraw/zinc/36/72/03/860367203.db2.gz MEEMVBTXRWXGFQ-XVSDVWIESA-N 1 0 381.501 3.555 20 30 GHEDRO Cc1cc(N(C2CC[NH2+]CC2)C2CCC(C#N)(c3ccccc3)CC2)ncn1 ZINC001170397917 881531666 /nfs/dbraw/zinc/53/16/66/881531666.db2.gz JACWINYEURYJIQ-UHFFFAOYSA-N 1 0 375.520 3.748 20 30 GHEDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCO1 ZINC000598538533 860382135 /nfs/dbraw/zinc/38/21/35/860382135.db2.gz AVJGVCSMBGJXSO-IBGZPJMESA-N 1 0 393.487 3.533 20 30 GHEDRO Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cnn1-c1ccccc1 ZINC000765662571 860391176 /nfs/dbraw/zinc/39/11/76/860391176.db2.gz OQOWKUQGEUTMQS-KRWDZBQOSA-N 1 0 386.503 3.767 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccnc(OCC(F)(F)F)c3)CC2)cc1 ZINC000552225378 860399478 /nfs/dbraw/zinc/39/94/78/860399478.db2.gz FXXQBQKCJNTELS-UHFFFAOYSA-N 1 0 390.409 3.653 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1OCCCC#N ZINC000922694113 860467969 /nfs/dbraw/zinc/46/79/69/860467969.db2.gz JKPZAJZPMMMWHU-YJBOKZPZSA-N 1 0 386.414 3.967 20 30 GHEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000593593749 860496388 /nfs/dbraw/zinc/49/63/88/860496388.db2.gz FKGGGDRQEVKIGF-QGZVFWFLSA-N 1 0 386.540 3.660 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)C(F)(F)F)c1 ZINC000904536390 860500720 /nfs/dbraw/zinc/50/07/20/860500720.db2.gz CPUMVHDHPAOZHN-SJORKVTESA-N 1 0 394.441 3.855 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C)C1 ZINC000331279228 860573499 /nfs/dbraw/zinc/57/34/99/860573499.db2.gz SRDDEFUHNSZJDV-SWLSCSKDSA-N 1 0 384.402 3.651 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000061029512 860583171 /nfs/dbraw/zinc/58/31/71/860583171.db2.gz WCSRNYRFRACTTA-UHFFFAOYSA-N 1 0 388.533 3.572 20 30 GHEDRO CC(C)([C@@H](NC(=O)c1cc(C#N)ccn1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000598827756 860605573 /nfs/dbraw/zinc/60/55/73/860605573.db2.gz LJYHGKPTRDKQHY-IBGZPJMESA-N 1 0 384.430 3.577 20 30 GHEDRO CCC(CC)(CNC(=O)c1cnn(CCC#N)c1C)[NH2+][C@@H](C)c1ccccc1 ZINC000896295306 860615154 /nfs/dbraw/zinc/61/51/54/860615154.db2.gz OSYPQLUPHDPNDV-KRWDZBQOSA-N 1 0 381.524 3.745 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1=O ZINC001170383862 881560708 /nfs/dbraw/zinc/56/07/08/881560708.db2.gz QKURZJJXHFCMDG-HQNXYIODSA-N 1 0 377.532 3.891 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3CCC4(CCOCC4)O3)c2)c1 ZINC000922811801 860626531 /nfs/dbraw/zinc/62/65/31/860626531.db2.gz NMFGUJIJTWESIH-HSZRJFAPSA-N 1 0 392.499 3.955 20 30 GHEDRO CC(C)n1nc(-c2ccccc2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120464090 881566450 /nfs/dbraw/zinc/56/64/50/881566450.db2.gz OIUFKNVEVMKXLV-UHFFFAOYSA-N 1 0 382.512 3.830 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000098026113 860699959 /nfs/dbraw/zinc/69/99/59/860699959.db2.gz NOMFQELIHSRMTH-MOPGFXCFSA-N 1 0 398.551 3.743 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000156402772 860773726 /nfs/dbraw/zinc/77/37/26/860773726.db2.gz QPMANAXVYBRMPW-FQEVSTJZSA-N 1 0 392.421 3.629 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000494324050 881579477 /nfs/dbraw/zinc/57/94/77/881579477.db2.gz AACRIZIVAOEWIT-SJORKVTESA-N 1 0 381.476 3.580 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)c2cn(CCCC#N)c3ccccc23)cc1 ZINC000469827446 860795250 /nfs/dbraw/zinc/79/52/50/860795250.db2.gz BKGUHTHITCZFMN-UHFFFAOYSA-N 1 0 388.515 3.979 20 30 GHEDRO Cn1c(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)nc2ccc(Cl)cc21 ZINC000593693032 860864451 /nfs/dbraw/zinc/86/44/51/860864451.db2.gz MJQYTJKMGDBXHT-UHFFFAOYSA-N 1 0 393.922 3.853 20 30 GHEDRO Cc1cn2c(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)c(C)nc2s1 ZINC000593692341 860884009 /nfs/dbraw/zinc/88/40/09/860884009.db2.gz BYCCPTWZMUQQOP-UHFFFAOYSA-N 1 0 379.533 3.639 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000494360913 881591006 /nfs/dbraw/zinc/59/10/06/881591006.db2.gz VFTHRUSWLTVVBK-GOSISDBHSA-N 1 0 395.503 3.972 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1OC ZINC000593702324 860928530 /nfs/dbraw/zinc/92/85/30/860928530.db2.gz LNMPMFQIJNKPKN-GOSISDBHSA-N 1 0 393.531 3.761 20 30 GHEDRO COc1ccc([C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c2ccccn2)cc1 ZINC000593705328 860941939 /nfs/dbraw/zinc/94/19/39/860941939.db2.gz YOQGNDKLZXBLJH-DEOSSOPVSA-N 1 0 399.498 3.705 20 30 GHEDRO CC(C)N1C(=O)N[C@@H]2CN(CC(=O)N[C@H](c3ccccc3)C3CCCC3)CC[C@@H]21 ZINC000329033131 860963229 /nfs/dbraw/zinc/96/32/29/860963229.db2.gz QIHLBDMAUJUHKU-RZUBCFFCSA-N 1 0 398.551 3.955 20 30 GHEDRO C[C@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000593709214 860966021 /nfs/dbraw/zinc/96/60/21/860966021.db2.gz XGUAFDGXOFXWOP-KRWDZBQOSA-N 1 0 376.504 3.975 20 30 GHEDRO Cc1cc(C)cc(C2=CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)c1 ZINC000329095514 861012569 /nfs/dbraw/zinc/01/25/69/861012569.db2.gz KVWORQNSEPAZAR-DHIUTWEWSA-N 1 0 397.563 3.684 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000599312797 861031509 /nfs/dbraw/zinc/03/15/09/861031509.db2.gz TWQWOMCUSGXTKU-HOCLYGCPSA-N 1 0 399.318 3.518 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)CCOCC1 ZINC000599295200 861036510 /nfs/dbraw/zinc/03/65/10/861036510.db2.gz ZAPJDYWUNSPZAO-FQEVSTJZSA-N 1 0 376.928 3.666 20 30 GHEDRO Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCC[N@H+]3CC=C(C)CC3)C2)c1 ZINC000329122208 861039828 /nfs/dbraw/zinc/03/98/28/861039828.db2.gz WNXVVUBCBKZBGX-IBGZPJMESA-N 1 0 384.524 3.861 20 30 GHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000599300320 861042557 /nfs/dbraw/zinc/04/25/57/861042557.db2.gz WLTAKYNZBKACRC-HSALFYBXSA-N 1 0 378.557 3.508 20 30 GHEDRO CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000599304580 861046748 /nfs/dbraw/zinc/04/67/48/861046748.db2.gz YIPXUYUYJWTOAD-LEWJYISDSA-N 1 0 376.516 3.786 20 30 GHEDRO N#Cc1cc(NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)ncn1 ZINC000555812774 861053752 /nfs/dbraw/zinc/05/37/52/861053752.db2.gz YZNPYYHRRPCSPC-GOSISDBHSA-N 1 0 395.919 3.697 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1OC ZINC000623431507 861060356 /nfs/dbraw/zinc/06/03/56/861060356.db2.gz ILLGTXVXRAHERF-CYBMUJFWSA-N 1 0 377.916 3.985 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000603701054 861060393 /nfs/dbraw/zinc/06/03/93/861060393.db2.gz PUKXLEMXTBRZRY-OALUTQOASA-N 1 0 391.515 3.731 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)CCOCC1 ZINC000599340319 861076374 /nfs/dbraw/zinc/07/63/74/861076374.db2.gz SOJLBFKBVYZFDG-UPVQGACJSA-N 1 0 390.527 3.900 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(C#N)cc1 ZINC000599349131 861088315 /nfs/dbraw/zinc/08/83/15/861088315.db2.gz DXSCBXOZDPUJIG-KZULUSFZSA-N 1 0 384.277 3.925 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)CCOCC1 ZINC000599355848 861097609 /nfs/dbraw/zinc/09/76/09/861097609.db2.gz IJBIAJIOMCDIBH-PKTZIBPZSA-N 1 0 394.515 3.605 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185634055 861108182 /nfs/dbraw/zinc/10/81/82/861108182.db2.gz IINSNNXXVWHFPI-LBPRGKRZSA-N 1 0 396.413 3.672 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)CCOCC1 ZINC000599365407 861132084 /nfs/dbraw/zinc/13/20/84/861132084.db2.gz BIQLIBBAUFAIBH-GOSISDBHSA-N 1 0 376.447 3.515 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1OC ZINC000623544220 861164624 /nfs/dbraw/zinc/16/46/24/861164624.db2.gz SWSDGFBFCUZRHC-MAUKXSAKSA-N 1 0 391.899 3.657 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)[C@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000329232843 861178542 /nfs/dbraw/zinc/17/85/42/861178542.db2.gz GJUWXGVLOVJVBA-JZXOWHBKSA-N 1 0 382.508 3.737 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCOCC1 ZINC000599414742 861185002 /nfs/dbraw/zinc/18/50/02/861185002.db2.gz HPJXTTNQPQFRRR-FUHWJXTLSA-N 1 0 398.425 3.697 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Cl)cc(Br)c1F ZINC000443984067 863093536 /nfs/dbraw/zinc/09/35/36/863093536.db2.gz FRXDTRASOILQQK-UHFFFAOYSA-N 1 0 390.684 3.549 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)nc1 ZINC000522711352 863120253 /nfs/dbraw/zinc/12/02/53/863120253.db2.gz WTQRTRRVVCPYLF-HNQUOIGGSA-N 1 0 397.320 3.941 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1Cl ZINC000444032892 863181246 /nfs/dbraw/zinc/18/12/46/863181246.db2.gz LLNWAGUDKWSOJI-UHFFFAOYSA-N 1 0 389.908 3.998 20 30 GHEDRO CC[NH+]=C(NCCc1ccc(Cl)s1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160049465 863263396 /nfs/dbraw/zinc/26/33/96/863263396.db2.gz RMJFXQXIVHXXMG-GOEBONIOSA-N 1 0 379.961 3.689 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508461411 863279588 /nfs/dbraw/zinc/27/95/88/863279588.db2.gz LUYYQPHWTFLYDW-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO CC(C)[C@H](CNC(=O)CSc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000482544915 863301607 /nfs/dbraw/zinc/30/16/07/863301607.db2.gz SUVUJNPJVOHHBL-QFIPXVFZSA-N 1 0 393.556 3.849 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000281914314 863482043 /nfs/dbraw/zinc/48/20/43/863482043.db2.gz GSGDSSCFYWCGBK-QZTJIDSGSA-N 1 0 383.319 3.984 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC000594031354 863793984 /nfs/dbraw/zinc/79/39/84/863793984.db2.gz LWYUGPBHDBAOTH-KRWDZBQOSA-N 1 0 392.503 3.656 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@H](O)CO[C@H]3CCCc4ccccc43)CCC2)cc1 ZINC000594033193 863805201 /nfs/dbraw/zinc/80/52/01/863805201.db2.gz XSJDIXJSBLMTHI-GMAHTHKFSA-N 1 0 376.500 3.982 20 30 GHEDRO COc1cc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(OC)cc1Cl ZINC000594033541 863833427 /nfs/dbraw/zinc/83/34/27/863833427.db2.gz ROVNCGAWYVDPDO-UHFFFAOYSA-N 1 0 399.878 3.836 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCCO1 ZINC000594041563 863877550 /nfs/dbraw/zinc/87/75/50/863877550.db2.gz FUPQEAXFTAUASP-IRXDYDNUSA-N 1 0 375.538 3.764 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cn2)cc1 ZINC000594064822 863996601 /nfs/dbraw/zinc/99/66/01/863996601.db2.gz KVSUCSGLZFUITC-UXHICEINSA-N 1 0 391.475 3.884 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cn2)cc1 ZINC000594064824 863997007 /nfs/dbraw/zinc/99/70/07/863997007.db2.gz KVSUCSGLZFUITC-WOJBJXKFSA-N 1 0 391.475 3.884 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000734106191 863997085 /nfs/dbraw/zinc/99/70/85/863997085.db2.gz QQDUFTSHTDQXCU-NRFANRHFSA-N 1 0 394.515 3.827 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c(-c2ccncc2)n1 ZINC000898511500 864049171 /nfs/dbraw/zinc/04/91/71/864049171.db2.gz CMWAMRIZAAWQCI-FQEVSTJZSA-N 1 0 377.879 3.769 20 30 GHEDRO COc1cccc(NC(=S)NN=C2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000734363240 864176888 /nfs/dbraw/zinc/17/68/88/864176888.db2.gz YTUIONVHHWMTEL-INIZCTEOSA-N 1 0 382.533 3.880 20 30 GHEDRO CCOc1ccc(NC(=S)NN=C2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000734362853 864177047 /nfs/dbraw/zinc/17/70/47/864177047.db2.gz UJDFHTGNQBTFTC-MRXNPFEDSA-N 1 0 397.548 3.665 20 30 GHEDRO Cc1cccc(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000734361749 864177641 /nfs/dbraw/zinc/17/76/41/864177641.db2.gz IHXDVPHUGYRZRJ-INIZCTEOSA-N 1 0 381.549 3.883 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(CC[NH+]3CCSCC3)cc1)C2 ZINC000594070909 864238355 /nfs/dbraw/zinc/23/83/55/864238355.db2.gz JZHMAQFUAUAREJ-UHFFFAOYSA-N 1 0 392.528 3.697 20 30 GHEDRO C=CCOCCCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000173017603 864257485 /nfs/dbraw/zinc/25/74/85/864257485.db2.gz XEXBPFYWVUSWKD-UHFFFAOYSA-N 1 0 387.524 3.813 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1cccc(C(F)(F)F)c1 ZINC000186134105 864346442 /nfs/dbraw/zinc/34/64/42/864346442.db2.gz FAXUMCJPINHZNL-MRXNPFEDSA-N 1 0 397.347 3.888 20 30 GHEDRO C=CC[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000734657985 864374777 /nfs/dbraw/zinc/37/47/77/864374777.db2.gz CRLQXFYBNPYESH-QFIPXVFZSA-N 1 0 378.520 3.705 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000554500836 864451741 /nfs/dbraw/zinc/45/17/41/864451741.db2.gz OBEROTUSZHKIKN-KUDFPVQQSA-N 1 0 388.895 3.512 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000025867494 864601310 /nfs/dbraw/zinc/60/13/10/864601310.db2.gz GXFKXKHYXWAWPJ-KBXCAEBGSA-N 1 0 389.293 3.606 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000164415029 864612383 /nfs/dbraw/zinc/61/23/83/864612383.db2.gz WFPAQIFUQJARBU-CQSZACIVSA-N 1 0 397.332 3.924 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000554640283 864643112 /nfs/dbraw/zinc/64/31/12/864643112.db2.gz FNIUYIRFJKSQNF-HXUWFJFHSA-N 1 0 394.567 3.783 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000475289757 864722444 /nfs/dbraw/zinc/72/24/44/864722444.db2.gz CPHSHPWMUUJLLU-UHFFFAOYSA-N 1 0 397.519 3.660 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000532325200 881795735 /nfs/dbraw/zinc/79/57/35/881795735.db2.gz LZOVYJYBXRFYQY-UHFFFAOYSA-N 1 0 390.531 3.557 20 30 GHEDRO C[NH+]=C(NCc1cccc(CN2CCCC2=O)c1)N1CCC2(C1)CCCCC2 ZINC000262469314 864748102 /nfs/dbraw/zinc/74/81/02/864748102.db2.gz OMERRBWPLSVPEO-UHFFFAOYSA-N 1 0 382.552 3.541 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475321080 864753366 /nfs/dbraw/zinc/75/33/66/864753366.db2.gz WNCZWSPVTKJTHA-LJQANCHMSA-N 1 0 385.458 3.943 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000735491446 864828110 /nfs/dbraw/zinc/82/81/10/864828110.db2.gz HNMYPSHTWVDECD-XMTFNYHQSA-N 1 0 396.560 3.810 20 30 GHEDRO C#CCN(CC)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000735586823 864864991 /nfs/dbraw/zinc/86/49/91/864864991.db2.gz PSVGCZSBIMDYSC-AEFFLSMTSA-N 1 0 381.442 3.753 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1OCCCC#N ZINC000475373166 864879713 /nfs/dbraw/zinc/87/97/13/864879713.db2.gz OSGGMZARYGIJAB-DEOSSOPVSA-N 1 0 394.515 3.947 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000475399679 864948091 /nfs/dbraw/zinc/94/80/91/864948091.db2.gz VZLFXOOEPVQQNT-UHFFFAOYSA-N 1 0 385.552 3.902 20 30 GHEDRO C[C@H]1CC(N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065313 865076030 /nfs/dbraw/zinc/07/60/30/865076030.db2.gz VPWNUBLIZNVCKI-PMACEKPBSA-N 1 0 389.547 3.517 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc(F)c1F ZINC001143605066 865163046 /nfs/dbraw/zinc/16/30/46/865163046.db2.gz JIEPMAZJSXZTDP-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)cc1 ZINC000736247256 865164726 /nfs/dbraw/zinc/16/47/26/865164726.db2.gz VOTWEDHEAGYGRE-UHFFFAOYSA-N 1 0 381.476 3.702 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171387102 865236040 /nfs/dbraw/zinc/23/60/40/865236040.db2.gz GHLZAEAYRKQGFZ-NRFANRHFSA-N 1 0 396.579 3.746 20 30 GHEDRO C=CCCC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000736623960 865249356 /nfs/dbraw/zinc/24/93/56/865249356.db2.gz VTUPSJPHEWUHBC-UHFFFAOYSA-N 1 0 381.476 3.784 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c(C(F)(F)F)c1 ZINC000554971054 865274022 /nfs/dbraw/zinc/27/40/22/865274022.db2.gz HIKVFCOPHHMWFA-HNNXBMFYSA-N 1 0 395.812 3.664 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)[C@H](C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000594211450 865386282 /nfs/dbraw/zinc/38/62/82/865386282.db2.gz KPFYCCCFLNZRSE-GCJKJVERSA-N 1 0 391.515 3.699 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000455959879 865469588 /nfs/dbraw/zinc/46/95/88/865469588.db2.gz VVCSIDJOKXMUMC-FGZHOGPDSA-N 1 0 397.567 3.668 20 30 GHEDRO NC(=[NH+]OCc1nc(-c2ccsc2)no1)c1ccc(N2CCCCC2)cc1 ZINC000174128512 865476052 /nfs/dbraw/zinc/47/60/52/865476052.db2.gz GRODKDNOXPWXFW-UHFFFAOYSA-N 1 0 383.477 3.626 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3cccc(Br)c3C#N)CC2)C[C@H](C)O1 ZINC000439950908 865480955 /nfs/dbraw/zinc/48/09/55/865480955.db2.gz CJECKKHWDSWKLK-GASCZTMLSA-N 1 0 392.341 3.646 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000738105764 865491700 /nfs/dbraw/zinc/49/17/00/865491700.db2.gz CSKLHLCCVDKVCL-FPOVZHCZSA-N 1 0 377.536 3.966 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[N@@H+](C3CCCC3)CC2)nc1-c1ccco1 ZINC000738271795 865512230 /nfs/dbraw/zinc/51/22/30/865512230.db2.gz ZJGHKUVPMVZEIM-UHFFFAOYSA-N 1 0 387.553 3.768 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594238905 865518561 /nfs/dbraw/zinc/51/85/61/865518561.db2.gz KICRFTSXXWADSP-LJQANCHMSA-N 1 0 375.516 3.826 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000738318193 865530064 /nfs/dbraw/zinc/53/00/64/865530064.db2.gz PQPWONOXVJTKQU-HNNXBMFYSA-N 1 0 381.867 3.665 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738518138 865549425 /nfs/dbraw/zinc/54/94/25/865549425.db2.gz OIJXRLNMPMAEEJ-QFIPXVFZSA-N 1 0 379.504 3.682 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCC2)cc1 ZINC000594238306 865551811 /nfs/dbraw/zinc/55/18/11/865551811.db2.gz PZKIFENZEQCAFM-UHFFFAOYSA-N 1 0 389.503 3.548 20 30 GHEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555132537 865552660 /nfs/dbraw/zinc/55/26/60/865552660.db2.gz WFPNLGCPSKIASK-DOPJRALCSA-N 1 0 381.923 3.673 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000608794066 865730039 /nfs/dbraw/zinc/73/00/39/865730039.db2.gz JCBCFTXANIMLJT-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000739438567 865733642 /nfs/dbraw/zinc/73/36/42/865733642.db2.gz ZQVMCJNFKKWCJY-UHFFFAOYSA-N 1 0 386.590 3.839 20 30 GHEDRO C#CCSCC[NH2+]Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000740014644 865844387 /nfs/dbraw/zinc/84/43/87/865844387.db2.gz PQOKUUQLFCOZMZ-UHFFFAOYSA-N 1 0 394.281 3.905 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000608963992 865861165 /nfs/dbraw/zinc/86/11/65/865861165.db2.gz ISKGGAHVMDACQS-UHFFFAOYSA-N 1 0 375.516 3.861 20 30 GHEDRO N#Cc1ccccc1N1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000740745759 865992772 /nfs/dbraw/zinc/99/27/72/865992772.db2.gz MSMSYWJRUNMYCA-UHFFFAOYSA-N 1 0 388.515 3.553 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](CCO)c1cccs1 ZINC000740899989 866089078 /nfs/dbraw/zinc/08/90/78/866089078.db2.gz HOQRXBFQPBHMEN-HNNXBMFYSA-N 1 0 380.307 3.736 20 30 GHEDRO [NH2+]=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccc2c(c1)OCCCO2 ZINC000262515946 866096453 /nfs/dbraw/zinc/09/64/53/866096453.db2.gz GEUPIYUTCOKTMZ-UHFFFAOYSA-N 1 0 384.867 3.952 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000594389027 866131233 /nfs/dbraw/zinc/13/12/33/866131233.db2.gz DFKUKYHGJZKHJL-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C#N)c(F)c1 ZINC000478534814 866247112 /nfs/dbraw/zinc/24/71/12/866247112.db2.gz LWGPUMYVRJMECE-UHFFFAOYSA-N 1 0 385.512 3.796 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCC(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl ZINC000303884048 866385843 /nfs/dbraw/zinc/38/58/43/866385843.db2.gz MNWTUFMBYBODOM-GFCCVEGCSA-N 1 0 385.339 3.798 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508827168 866396050 /nfs/dbraw/zinc/39/60/50/866396050.db2.gz QHPWWUWMBCHDBL-PXNSSMCTSA-N 1 0 393.535 3.593 20 30 GHEDRO [NH2+]=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N[C@@H]1CCOc2ccccc21 ZINC000304509600 866500668 /nfs/dbraw/zinc/50/06/68/866500668.db2.gz SFKCJKIZUYEGIH-LJQANCHMSA-N 1 0 392.434 3.941 20 30 GHEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000475600882 866626587 /nfs/dbraw/zinc/62/65/87/866626587.db2.gz LLTIXVPEVOLVLK-GFCCVEGCSA-N 1 0 389.550 3.807 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCC2(c3ccc(F)cc3Cl)CC2)cc1OC ZINC000305734697 866634228 /nfs/dbraw/zinc/63/42/28/866634228.db2.gz WMKHTVZIUKTZLI-UHFFFAOYSA-N 1 0 391.874 3.632 20 30 GHEDRO N#CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000114424989 866765774 /nfs/dbraw/zinc/76/57/74/866765774.db2.gz GRQWJWCAXWGHCH-QGZVFWFLSA-N 1 0 379.426 3.870 20 30 GHEDRO C[NH+]=C(NCc1ccc(C)nc1)NCC1(c2cccc(Br)c2)CC1 ZINC000262553299 866770119 /nfs/dbraw/zinc/77/01/19/866770119.db2.gz UHRBXJZHGZEJHG-UHFFFAOYSA-N 1 0 387.325 3.549 20 30 GHEDRO N#Cc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc(N)c1[N+](=O)[O-] ZINC000553141782 866869947 /nfs/dbraw/zinc/86/99/47/866869947.db2.gz AUBCLWOYHVMJLB-UHFFFAOYSA-N 1 0 391.475 3.541 20 30 GHEDRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444611627 866948245 /nfs/dbraw/zinc/94/82/45/866948245.db2.gz QYXJYKXTHDENTC-JOCHJYFZSA-N 1 0 375.516 3.877 20 30 GHEDRO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444651966 867007533 /nfs/dbraw/zinc/00/75/33/867007533.db2.gz IMIYLCKYHVZVFT-IBGZPJMESA-N 1 0 391.943 3.892 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)c2occc2COc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000523289077 867028971 /nfs/dbraw/zinc/02/89/71/867028971.db2.gz XSESLFXYGAFCGW-SBUREZEXSA-N 1 0 395.503 3.971 20 30 GHEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1(CCO)CCOCC1 ZINC000444674413 867049191 /nfs/dbraw/zinc/04/91/91/867049191.db2.gz KIMSCVOUEBTKME-UHFFFAOYSA-N 1 0 378.516 3.750 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(OCc2ccccc2)c1 ZINC000444703060 867088943 /nfs/dbraw/zinc/08/89/43/867088943.db2.gz JEXOAJNEJINCHJ-SBUREZEXSA-N 1 0 377.488 3.725 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000742164805 867089044 /nfs/dbraw/zinc/08/90/44/867089044.db2.gz GBGKTHVOLDKKEH-JTSKRJEESA-N 1 0 387.487 3.853 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC#Cc1ccccc1 ZINC000465566995 867282991 /nfs/dbraw/zinc/28/29/91/867282991.db2.gz ISBXFWDQYQVMHA-QHCPKHFHSA-N 1 0 375.516 3.592 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C12CCCCC2 ZINC000429787489 867334920 /nfs/dbraw/zinc/33/49/20/867334920.db2.gz NQLANNVCWNKZBC-QZTJIDSGSA-N 1 0 375.900 3.868 20 30 GHEDRO N#CC1(NC(=O)c2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479210649 867362420 /nfs/dbraw/zinc/36/24/20/867362420.db2.gz CZMIKJHVJBNMES-UHFFFAOYSA-N 1 0 387.405 3.994 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@]1(C)CCCC[C@H]1C(=O)OC ZINC000534753420 867374684 /nfs/dbraw/zinc/37/46/84/867374684.db2.gz BBNPRXYKSYMRKE-MGPUTAFESA-N 1 0 376.522 3.615 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000171246662 882091493 /nfs/dbraw/zinc/09/14/93/882091493.db2.gz XPEMVZDERCEYJG-UHFFFAOYSA-N 1 0 377.488 3.764 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000553483924 867526206 /nfs/dbraw/zinc/52/62/06/867526206.db2.gz JECKSEKMBMIJCK-WIYYLYMNSA-N 1 0 379.504 3.886 20 30 GHEDRO N#CC1(NC(=O)CCSc2ccccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000479319403 867557053 /nfs/dbraw/zinc/55/70/53/867557053.db2.gz UKKUMHHNSQYXQL-UHFFFAOYSA-N 1 0 397.519 3.982 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000534885386 867703606 /nfs/dbraw/zinc/70/36/06/867703606.db2.gz FUOWZJOETDGFBS-INIZCTEOSA-N 1 0 381.863 3.970 20 30 GHEDRO CCOc1cccc(NC(=S)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000742984010 867706568 /nfs/dbraw/zinc/70/65/68/867706568.db2.gz HDRXQDWSVGZYAL-UHFFFAOYSA-N 1 0 382.533 3.718 20 30 GHEDRO Cn1ncc2c1ncnc2N=NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000857207008 882115756 /nfs/dbraw/zinc/11/57/56/882115756.db2.gz PTLMSMULEVDVBJ-JOCHJYFZSA-N 1 0 391.523 3.699 20 30 GHEDRO C#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000183765332 867783855 /nfs/dbraw/zinc/78/38/55/867783855.db2.gz NEUONVCABROVCB-VXKWHMMOSA-N 1 0 375.472 3.776 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000743202707 867954101 /nfs/dbraw/zinc/95/41/01/867954101.db2.gz SAWOFADQPXPBCY-IBGZPJMESA-N 1 0 395.478 3.871 20 30 GHEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000163244197 868093327 /nfs/dbraw/zinc/09/33/27/868093327.db2.gz MGLUYOVSDHCWMR-MOPGFXCFSA-N 1 0 377.916 3.521 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C12CCCC2 ZINC000743488977 868235703 /nfs/dbraw/zinc/23/57/03/868235703.db2.gz QJZQGXCFMFAMGV-CEWLAPEOSA-N 1 0 383.536 3.958 20 30 GHEDRO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000111535060 868342532 /nfs/dbraw/zinc/34/25/32/868342532.db2.gz HXVZYXYBBICCOQ-WZONZLPQSA-N 1 0 388.515 3.709 20 30 GHEDRO CC(C)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H](O)c1ccc(F)cc1 ZINC000743850345 868451807 /nfs/dbraw/zinc/45/18/07/868451807.db2.gz JUVDGLKNIIMDPL-HXUWFJFHSA-N 1 0 394.450 3.939 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000524134317 868615184 /nfs/dbraw/zinc/61/51/84/868615184.db2.gz SUZYIJLSCRAMBW-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669810395 868643211 /nfs/dbraw/zinc/64/32/11/868643211.db2.gz ADGBADCYDLPNMV-CVEARBPZSA-N 1 0 389.931 3.788 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H]1OC ZINC000479891100 868689212 /nfs/dbraw/zinc/68/92/12/868689212.db2.gz YUMIYSBLCCVWPD-NSISKUIASA-N 1 0 387.524 3.514 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1OC ZINC000479896356 868698263 /nfs/dbraw/zinc/69/82/63/868698263.db2.gz BNRRAGJQWUVJCB-KFKAGJAMSA-N 1 0 375.488 3.644 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](C)Oc2cccc(Br)c2)ccc1C#N ZINC000440825511 868807739 /nfs/dbraw/zinc/80/77/39/868807739.db2.gz JWRKCTMTKOJVIL-CYBMUJFWSA-N 1 0 375.266 3.886 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H](O)c1ccc(F)cc1 ZINC000744402470 868810923 /nfs/dbraw/zinc/81/09/23/868810923.db2.gz BNKIUXBDVWLYQN-NRFANRHFSA-N 1 0 383.467 3.718 20 30 GHEDRO CC[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CCC[C@]2(CCCOC2)C1 ZINC000262787481 882230950 /nfs/dbraw/zinc/23/09/50/882230950.db2.gz MXNXSCYUOYQIIH-NRFANRHFSA-N 1 0 392.613 3.841 20 30 GHEDRO C[N@H+](CCCNC(=O)Nc1cc(C#N)ccc1OC(F)F)C1CCCCC1 ZINC000609080173 868928751 /nfs/dbraw/zinc/92/87/51/868928751.db2.gz DAOSSSOFIGCNTP-UHFFFAOYSA-N 1 0 380.439 3.936 20 30 GHEDRO COc1cccc(C[N@H+](Cc2ccc(C#N)c(OC)c2)C2CCC(O)CC2)c1 ZINC000442889007 868992617 /nfs/dbraw/zinc/99/26/17/868992617.db2.gz IQVVYRYRCHSLIX-UHFFFAOYSA-N 1 0 380.488 3.881 20 30 GHEDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000524457086 869078261 /nfs/dbraw/zinc/07/82/61/869078261.db2.gz HGVRUKJYYJOSMJ-KNQAVFIVSA-N 1 0 391.515 3.874 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000524451837 869102826 /nfs/dbraw/zinc/10/28/26/869102826.db2.gz VUDZWEJOSJDDON-QGZVFWFLSA-N 1 0 397.544 3.577 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000524453267 869102883 /nfs/dbraw/zinc/10/28/83/869102883.db2.gz WNRVBJLYUABYKO-QGZVFWFLSA-N 1 0 397.544 3.577 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)c(C#N)c1C ZINC000539493519 869217486 /nfs/dbraw/zinc/21/74/86/869217486.db2.gz MZJLCHXGGFRMTK-SFHVURJKSA-N 1 0 387.455 3.929 20 30 GHEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000539492453 869232549 /nfs/dbraw/zinc/23/25/49/869232549.db2.gz WBBLVEHFXWAGCC-JOCHJYFZSA-N 1 0 385.471 3.732 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445997637 869268859 /nfs/dbraw/zinc/26/88/59/869268859.db2.gz ZWNRGBHQHMWZRG-JLSDUUJJSA-N 1 0 381.442 3.939 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(C#N)c(F)c1 ZINC000539608322 869435720 /nfs/dbraw/zinc/43/57/20/869435720.db2.gz FFJVTSVXCXJSEN-ADLMAVQZSA-N 1 0 375.806 3.946 20 30 GHEDRO Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428789512 869438411 /nfs/dbraw/zinc/43/84/11/869438411.db2.gz YULNSCYTTMTJFL-HXUWFJFHSA-N 1 0 389.503 3.935 20 30 GHEDRO C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539610303 869439224 /nfs/dbraw/zinc/43/92/24/869439224.db2.gz UUJZSOBFVLLISO-KRWDZBQOSA-N 1 0 379.479 3.972 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609099753 869531111 /nfs/dbraw/zinc/53/11/11/869531111.db2.gz PHVCBWPQPLJDPT-QHCPKHFHSA-N 1 0 390.531 3.685 20 30 GHEDRO COC[C@H](C)Oc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000594947462 869582446 /nfs/dbraw/zinc/58/24/46/869582446.db2.gz DQGWIPYEUPZXGU-IBGZPJMESA-N 1 0 393.531 3.726 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Cc3ccccc3CC#N)cc2)CC1 ZINC000776943100 882320288 /nfs/dbraw/zinc/32/02/88/882320288.db2.gz YVWUACRDVUBBIX-UHFFFAOYSA-N 1 0 390.531 3.712 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000524876044 869707088 /nfs/dbraw/zinc/70/70/88/869707088.db2.gz BXHJUONRAQFINQ-IBGZPJMESA-N 1 0 394.515 3.997 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000524892690 869711733 /nfs/dbraw/zinc/71/17/33/869711733.db2.gz JMUFIYOLPXZKDD-RTWAWAEBSA-N 1 0 383.536 3.624 20 30 GHEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000539837978 869856389 /nfs/dbraw/zinc/85/63/89/869856389.db2.gz JVBSVHQMCGMMFY-JOCHJYFZSA-N 1 0 377.488 3.997 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000133710586 882361584 /nfs/dbraw/zinc/36/15/84/882361584.db2.gz HTWIVXRMYKAYRH-UHFFFAOYSA-N 1 0 380.467 3.657 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)c2ccc(C#N)c(Cl)n2)C[N@@H+]1Cc1ccccc1 ZINC001127293927 882369399 /nfs/dbraw/zinc/36/93/99/882369399.db2.gz VUKYRXQFGCTINW-WBVHZDCISA-N 1 0 382.895 3.637 20 30 GHEDRO C[N@H+](CCOc1cccc(CNc2ccc(F)cc2C#N)c1)C1CCOCC1 ZINC000462810353 870108877 /nfs/dbraw/zinc/10/88/77/870108877.db2.gz HXNTYOXEIYVPGV-UHFFFAOYSA-N 1 0 383.467 3.799 20 30 GHEDRO COCCCCc1cccnc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000462829633 870146318 /nfs/dbraw/zinc/14/63/18/870146318.db2.gz JNASRGJVTBGONZ-UHFFFAOYSA-N 1 0 378.520 3.999 20 30 GHEDRO COc1cc(-c2noc([C@@H](C)c3cccc(C#N)c3)n2)ccc1OCC[NH+](C)C ZINC000462824576 870165238 /nfs/dbraw/zinc/16/52/38/870165238.db2.gz DZSUHFUKBKENAK-HNNXBMFYSA-N 1 0 392.459 3.709 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540044161 870296842 /nfs/dbraw/zinc/29/68/42/870296842.db2.gz SVLGDSZCAWWFSY-LJQANCHMSA-N 1 0 376.504 3.671 20 30 GHEDRO COc1ccc2c(c1)C[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C1CCCCC1)C2 ZINC000540052051 870310192 /nfs/dbraw/zinc/31/01/92/870310192.db2.gz FOIXHBNMZWVQKJ-QFIPXVFZSA-N 1 0 383.536 3.764 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000617585457 870468403 /nfs/dbraw/zinc/46/84/03/870468403.db2.gz ICANWCVLUYESJG-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1S(=O)(=O)C(F)F ZINC000766351598 870625552 /nfs/dbraw/zinc/62/55/52/870625552.db2.gz TUWSPNVAWIEGAX-QWHCGFSZSA-N 1 0 394.443 3.975 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000775546793 870654133 /nfs/dbraw/zinc/65/41/33/870654133.db2.gz FZIZZCJZNRJAQK-RHSMWYFYSA-N 1 0 394.393 3.742 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000249048187 870734458 /nfs/dbraw/zinc/73/44/58/870734458.db2.gz NWVWLZHWDSAABH-RVHYNSKXSA-N 1 0 399.441 3.720 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000538955787 870968572 /nfs/dbraw/zinc/96/85/72/870968572.db2.gz MQUYSHDPASKGMG-MRXNPFEDSA-N 1 0 377.366 3.634 20 30 GHEDRO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000509639543 871054950 /nfs/dbraw/zinc/05/49/50/871054950.db2.gz MFQMTEQSXQRESQ-NRFANRHFSA-N 1 0 397.544 3.624 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OCC(C)C ZINC000540366827 871126341 /nfs/dbraw/zinc/12/63/41/871126341.db2.gz TWTYBOOBFPRTHE-GSHUGGBRSA-N 1 0 389.540 3.824 20 30 GHEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540387957 871143287 /nfs/dbraw/zinc/14/32/87/871143287.db2.gz KUDDKYOKOVDZMW-KRWDZBQOSA-N 1 0 386.455 3.935 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181526145 871143609 /nfs/dbraw/zinc/14/36/09/871143609.db2.gz CPUCYGUDWFHCOV-IAGOWNOFSA-N 1 0 393.487 3.658 20 30 GHEDRO CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001169093411 871168116 /nfs/dbraw/zinc/16/81/16/871168116.db2.gz ZRRXGZCQYGHVCZ-LJQANCHMSA-N 1 0 396.560 3.772 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(F)cc2C#N)CC1 ZINC000181641580 871319709 /nfs/dbraw/zinc/31/97/09/871319709.db2.gz QYHVDKNMVASNGB-INIZCTEOSA-N 1 0 384.474 3.829 20 30 GHEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000463285571 871332184 /nfs/dbraw/zinc/33/21/84/871332184.db2.gz GFTGFKCMWIMNOP-HKUYNNGSSA-N 1 0 394.485 3.889 20 30 GHEDRO N#Cc1c2c(cn(C[NH2+]C3(c4cccc(C(F)(F)F)c4)CCC3)c1=O)CCC2 ZINC000766633754 871333926 /nfs/dbraw/zinc/33/39/26/871333926.db2.gz SESJCWOTOALQDX-UHFFFAOYSA-N 1 0 387.405 3.854 20 30 GHEDRO Cn1cc([C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C(C)(C)C)cn1 ZINC000540476620 871357382 /nfs/dbraw/zinc/35/73/82/871357382.db2.gz IHQUGFPMSOVHBP-IBGZPJMESA-N 1 0 387.915 3.697 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCN(c4cccc(F)c4)C3)CC2)cc1 ZINC000181763323 871457712 /nfs/dbraw/zinc/45/77/12/871457712.db2.gz XAKCQDBAXGDNHX-QHCPKHFHSA-N 1 0 392.522 3.920 20 30 GHEDRO C[C@](C#N)(Nc1cccc2c1NC(=O)C21CC[NH2+]CC1)c1ccccc1Cl ZINC001169391109 871463329 /nfs/dbraw/zinc/46/33/29/871463329.db2.gz QTWYDJDDFXDTMN-HXUWFJFHSA-N 1 0 380.879 3.764 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000069752408 871471377 /nfs/dbraw/zinc/47/13/77/871471377.db2.gz DODKRRKMAITMFK-UHFFFAOYSA-N 1 0 380.511 3.930 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1nc2ccccc2n1C ZINC000539200888 871489363 /nfs/dbraw/zinc/48/93/63/871489363.db2.gz FIJLNDAEYSZTGM-RDJZCZTQSA-N 1 0 377.467 3.904 20 30 GHEDRO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000447387148 871555118 /nfs/dbraw/zinc/55/51/18/871555118.db2.gz SJASSYTXBRQENA-GOSISDBHSA-N 1 0 399.498 3.646 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3cccc(C#N)c3F)CCCC2)cc1OC ZINC000539250286 871558581 /nfs/dbraw/zinc/55/85/81/871558581.db2.gz MZHYIRUKSCVXDI-UHFFFAOYSA-N 1 0 397.450 3.756 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000539242385 871583587 /nfs/dbraw/zinc/58/35/87/871583587.db2.gz IXUGXXSJCCHJHY-UHFFFAOYSA-N 1 0 391.471 3.717 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1nc2ccccc2n1C ZINC000525859279 871589816 /nfs/dbraw/zinc/58/98/16/871589816.db2.gz OLYDUATWCIYZOU-FAEJEUNOSA-N 1 0 375.476 3.881 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000540593356 871649996 /nfs/dbraw/zinc/64/99/96/871649996.db2.gz GSYSKOCXDVQIMD-RHSMWYFYSA-N 1 0 378.394 3.959 20 30 GHEDRO N#Cc1c2c(cnc1-n1cc(CC[NH3+])c3ccc(OC(F)(F)F)cc31)CCC2 ZINC001169609414 871676715 /nfs/dbraw/zinc/67/67/15/871676715.db2.gz VKOZMMVMWNSKPP-UHFFFAOYSA-N 1 0 386.377 3.786 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(C)nn1C)c1ccc(C(F)(F)F)cc1 ZINC000539332774 871713590 /nfs/dbraw/zinc/71/35/90/871713590.db2.gz SDYCJTMQVHXRBI-MRXNPFEDSA-N 1 0 380.414 3.983 20 30 GHEDRO COC1CCN(C2(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CCCC2)CC1 ZINC000552043712 871925036 /nfs/dbraw/zinc/92/50/36/871925036.db2.gz ZVTKAARPGNGBOT-UHFFFAOYSA-N 1 0 396.579 3.540 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000921075359 882562505 /nfs/dbraw/zinc/56/25/05/882562505.db2.gz MLPXINIUSJRPSJ-UHFFFAOYSA-N 1 0 380.330 3.626 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000552057157 871950514 /nfs/dbraw/zinc/95/05/14/871950514.db2.gz HDWAISISAQBOPV-ACIOBRDBSA-N 1 0 391.515 3.874 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802909 872013387 /nfs/dbraw/zinc/01/33/87/872013387.db2.gz NRJIWZBJIUWYLV-ZHRRBRCNSA-N 1 0 397.544 3.927 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802907 872013468 /nfs/dbraw/zinc/01/34/68/872013468.db2.gz NRJIWZBJIUWYLV-KSFYIVLOSA-N 1 0 397.544 3.927 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618812905 872020146 /nfs/dbraw/zinc/02/01/46/872020146.db2.gz IHCZBCCPYXTLCH-KKSFZXQISA-N 1 0 376.504 3.974 20 30 GHEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000477861936 872036291 /nfs/dbraw/zinc/03/62/91/872036291.db2.gz QNBXNMDCIFEQTR-OALUTQOASA-N 1 0 389.927 3.866 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)cc1Cl ZINC001169957690 872054379 /nfs/dbraw/zinc/05/43/79/872054379.db2.gz WRISELOFRWBDCN-INIZCTEOSA-N 1 0 376.884 3.741 20 30 GHEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NCC(F)(F)F)[n+]1ccccc1 ZINC000101534953 872071075 /nfs/dbraw/zinc/07/10/75/872071075.db2.gz NOWLIPDIHNCCIO-UHFFFAOYSA-O 1 0 379.427 3.554 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NCC(F)(F)F)cc1 ZINC000101535053 872072235 /nfs/dbraw/zinc/07/22/35/872072235.db2.gz JEZMEXFFLGTPSZ-UHFFFAOYSA-O 1 0 387.472 3.997 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618853490 872075569 /nfs/dbraw/zinc/07/55/69/872075569.db2.gz KTTBDXSPIQHTDR-FDDCHVKYSA-N 1 0 388.515 3.852 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)C2)CC1 ZINC000618854499 872079771 /nfs/dbraw/zinc/07/97/71/872079771.db2.gz YHOCKZZLPVWNKU-DENIHFKCSA-N 1 0 380.536 3.699 20 30 GHEDRO C#CCC(C)(C)C(=O)Nc1ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c1 ZINC000767098388 872265570 /nfs/dbraw/zinc/26/55/70/872265570.db2.gz AZRFIWJMWLHHLQ-UHFFFAOYSA-N 1 0 391.943 3.790 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1Cl ZINC000447830962 872361803 /nfs/dbraw/zinc/36/18/03/872361803.db2.gz LVYACRDWHCQNOL-DLBZAZTESA-N 1 0 377.916 3.521 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc(N(C)C)cc1 ZINC000022796538 872389879 /nfs/dbraw/zinc/38/98/79/872389879.db2.gz XWRXGOQLYWTYGN-UHFFFAOYSA-O 1 0 394.973 3.860 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001195420055 872408218 /nfs/dbraw/zinc/40/82/18/872408218.db2.gz HLQSNEPJBXDPII-WWPVKYPJSA-N 1 0 388.515 3.634 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001195729109 872579831 /nfs/dbraw/zinc/57/98/31/872579831.db2.gz MUZFHOQOZJIMNW-KSZLIROESA-N 1 0 378.476 3.950 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)n2c1 ZINC000478209110 872662848 /nfs/dbraw/zinc/66/28/48/872662848.db2.gz PHLCENJWXPYTEP-CQSZACIVSA-N 1 0 386.286 3.881 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH2+][C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1 ZINC001195938464 872738197 /nfs/dbraw/zinc/73/81/97/872738197.db2.gz MZFLTGXHQDGJDA-INIZCTEOSA-N 1 0 393.796 3.821 20 30 GHEDRO C=CC1CCN(C(=O)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000478265071 872752472 /nfs/dbraw/zinc/75/24/72/872752472.db2.gz ZXPFHYAWZVZSQM-UHFFFAOYSA-N 1 0 383.536 3.814 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000182812716 872785991 /nfs/dbraw/zinc/78/59/91/872785991.db2.gz VBQJVLSYEJWAAB-FYYLOGMGSA-N 1 0 389.499 3.592 20 30 GHEDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000541056234 872810230 /nfs/dbraw/zinc/81/02/30/872810230.db2.gz ZRSISAPFHVGXGJ-OXQOHEQNSA-N 1 0 397.544 3.905 20 30 GHEDRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541075842 872859820 /nfs/dbraw/zinc/85/98/20/872859820.db2.gz RCVXHJUYLWJTEK-IRXDYDNUSA-N 1 0 392.503 3.746 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)c2cccnc2)c1C#N ZINC000182886745 872912806 /nfs/dbraw/zinc/91/28/06/872912806.db2.gz SJUGWGHECYIKIM-OAHLLOKOSA-N 1 0 391.450 3.789 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619759046 872971684 /nfs/dbraw/zinc/97/16/84/872971684.db2.gz HTMSUJQVVDLIRO-HRAATJIYSA-N 1 0 396.922 3.921 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CCOCC1)C(C)C ZINC000070886932 873068898 /nfs/dbraw/zinc/06/88/98/873068898.db2.gz SWTRAOHALDELSD-OAQYLSRUSA-N 1 0 388.527 3.689 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000183003081 873071099 /nfs/dbraw/zinc/07/10/99/873071099.db2.gz MTOQEWYZZUHTKF-HUUCEWRRSA-N 1 0 391.450 3.869 20 30 GHEDRO CCCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccccc1 ZINC000541183801 873106165 /nfs/dbraw/zinc/10/61/65/873106165.db2.gz POUOHDUVQGGXIK-UHFFFAOYSA-N 1 0 382.512 3.524 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC001196479265 873125677 /nfs/dbraw/zinc/12/56/77/873125677.db2.gz LVKZHGCUADTJAT-NKKJXINNSA-N 1 0 395.547 3.831 20 30 GHEDRO C=CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccncc1 ZINC000768222094 873175092 /nfs/dbraw/zinc/17/50/92/873175092.db2.gz DNIHUCQSDZIBNS-NYVOZVTQSA-N 1 0 395.503 3.715 20 30 GHEDRO Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC001196594195 873215471 /nfs/dbraw/zinc/21/54/71/873215471.db2.gz IYPWBLCDCPVKCN-JOCHJYFZSA-N 1 0 382.529 3.738 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001196727818 873324219 /nfs/dbraw/zinc/32/42/19/873324219.db2.gz LBCYIPRZXKUCGF-MRXNPFEDSA-N 1 0 388.943 3.879 20 30 GHEDRO N#Cc1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1Br ZINC000448681227 873749765 /nfs/dbraw/zinc/74/97/65/873749765.db2.gz LWRCIOCQBRHCFR-UHFFFAOYSA-N 1 0 398.304 3.847 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)[C@@H]1OC ZINC001169998639 873774237 /nfs/dbraw/zinc/77/42/37/873774237.db2.gz DXLBJTPKFAFCIM-DECQCQTCSA-N 1 0 389.565 3.865 20 30 GHEDRO N#Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000448699871 873792992 /nfs/dbraw/zinc/79/29/92/873792992.db2.gz JZCQWWGWHPXPQQ-QGZVFWFLSA-N 1 0 398.304 3.715 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([C@H](C)NC(=O)OC(C)(C)C)c1 ZINC001197486909 873832629 /nfs/dbraw/zinc/83/26/29/873832629.db2.gz JILGZELUZXQNQZ-LPHOPBHVSA-N 1 0 387.524 3.653 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528032540 873897596 /nfs/dbraw/zinc/89/75/96/873897596.db2.gz CAXKCJYTYWRDNY-BAGYTPMASA-N 1 0 393.918 3.688 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1c(C)nn(C)c1C ZINC000541592847 873906642 /nfs/dbraw/zinc/90/66/42/873906642.db2.gz DQZGHQQSACZFST-BEFAXECRSA-N 1 0 385.487 3.552 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000769234463 873910321 /nfs/dbraw/zinc/91/03/21/873910321.db2.gz SPDKNZUNGWTKTD-SFHVURJKSA-N 1 0 377.488 3.714 20 30 GHEDRO Cc1cc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000464482830 873938535 /nfs/dbraw/zinc/93/85/35/873938535.db2.gz WSWPJDRRKQDDQC-UHFFFAOYSA-N 1 0 398.938 3.836 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)[C@@H]1OC ZINC001170005412 873944485 /nfs/dbraw/zinc/94/44/85/873944485.db2.gz WLJVNLDFWALPAV-ZNOIYHFQSA-N 1 0 389.565 3.866 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448776689 873952643 /nfs/dbraw/zinc/95/26/43/873952643.db2.gz YGXBGNAGJDXBKX-KBPBESRZSA-N 1 0 392.341 3.807 20 30 GHEDRO N#Cc1cccc(NC(=S)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001197723641 874008873 /nfs/dbraw/zinc/00/88/73/874008873.db2.gz NMSZMCZMFHMHRD-CEWLAPEOSA-N 1 0 376.529 3.755 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000541637007 874026850 /nfs/dbraw/zinc/02/68/50/874026850.db2.gz MMGCYVRPRYIPJH-CABCVRRESA-N 1 0 389.421 3.975 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000595749724 874088907 /nfs/dbraw/zinc/08/89/07/874088907.db2.gz GVERBFCBUPTONX-XMMPIXPASA-N 1 0 392.499 3.883 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CC2)c1C#N ZINC000609133532 874089187 /nfs/dbraw/zinc/08/91/87/874089187.db2.gz FNAUIKAPCKWHJF-OAQYLSRUSA-N 1 0 376.504 3.838 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1 ZINC000541717661 874158287 /nfs/dbraw/zinc/15/82/87/874158287.db2.gz BQYFPNPIHFLDSU-VQTJNVASSA-N 1 0 383.536 3.830 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc(OC)c1OC ZINC000775825800 874245387 /nfs/dbraw/zinc/24/53/87/874245387.db2.gz OEMNLXFUWUXBLL-QGZVFWFLSA-N 1 0 382.504 3.683 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000528276684 874297634 /nfs/dbraw/zinc/29/76/34/874297634.db2.gz HZDIIHLPWSMMJE-FQEVSTJZSA-N 1 0 399.441 3.549 20 30 GHEDRO CC(=NNc1ccnc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000769811858 874303018 /nfs/dbraw/zinc/30/30/18/874303018.db2.gz CZQKDEUYSYQJDQ-UHFFFAOYSA-N 1 0 377.286 3.621 20 30 GHEDRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC001198238902 874304738 /nfs/dbraw/zinc/30/47/38/874304738.db2.gz ABLBOLIHZGFGEM-SFHVURJKSA-N 1 0 393.572 3.694 20 30 GHEDRO CN(c1ccccc1CN=Nc1oc(C(C)(C)C)nc1C#N)C1CC[NH+](C)CC1 ZINC000746498644 874382179 /nfs/dbraw/zinc/38/21/79/874382179.db2.gz ZWCYCZLHJOZHHT-UHFFFAOYSA-N 1 0 394.523 3.820 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000464775860 874469509 /nfs/dbraw/zinc/46/95/09/874469509.db2.gz SBLIJVAYASOYKW-FQEVSTJZSA-N 1 0 399.583 3.836 20 30 GHEDRO C#C[C@H](NC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccc(Cl)cc1F ZINC000804424010 882834666 /nfs/dbraw/zinc/83/46/66/882834666.db2.gz DIUKKDCHLRHMMU-IBGZPJMESA-N 1 0 385.870 3.890 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cnc4c(c3)CCCC4)CC2)cc1 ZINC000542028777 874771226 /nfs/dbraw/zinc/77/12/26/874771226.db2.gz LIAYBJNCVRQEMM-UHFFFAOYSA-N 1 0 389.503 3.572 20 30 GHEDRO Cc1nc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)sc1Br ZINC000449403365 874820243 /nfs/dbraw/zinc/82/02/43/874820243.db2.gz VTLIMWLHIANOJC-UHFFFAOYSA-N 1 0 391.338 3.844 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c(O)c(OC)c1 ZINC000770688114 874836979 /nfs/dbraw/zinc/83/69/79/874836979.db2.gz VDSQXLUIWSHYQH-HXUWFJFHSA-N 1 0 398.547 3.744 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2nc(Cl)c(C#N)s2)CCOCC1)c1ccccc1 ZINC000804457403 882869352 /nfs/dbraw/zinc/86/93/52/882869352.db2.gz VMVNTXAMDYNBPX-CYBMUJFWSA-N 1 0 376.913 3.980 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001199253398 874875983 /nfs/dbraw/zinc/87/59/83/874875983.db2.gz WPQNDIXSLNLSNS-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1Cl ZINC000609144401 874916016 /nfs/dbraw/zinc/91/60/16/874916016.db2.gz VWUBBEPHYBLEED-HDICACEKSA-N 1 0 394.906 3.608 20 30 GHEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000528754561 875017531 /nfs/dbraw/zinc/01/75/31/875017531.db2.gz NNEQTTKCOGXVIL-PJHJGJPPSA-N 1 0 375.538 3.619 20 30 GHEDRO CCOc1ccc(C(C)=O)cc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528781863 875054730 /nfs/dbraw/zinc/05/47/30/875054730.db2.gz HIWHDVRBIZZJPY-UHFFFAOYSA-N 1 0 378.472 3.955 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)[nH]1 ZINC001199680508 875123482 /nfs/dbraw/zinc/12/34/82/875123482.db2.gz JEVUBXRIWUIOOQ-UHFFFAOYSA-N 1 0 396.494 3.824 20 30 GHEDRO C=CCSc1ncccc1C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001199736247 875180207 /nfs/dbraw/zinc/18/02/07/875180207.db2.gz ZYUUZLVAZRBSFH-INIZCTEOSA-N 1 0 389.565 3.512 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+](CCO)C3CCSCC3)c2)c1 ZINC000449689502 875265570 /nfs/dbraw/zinc/26/55/70/875265570.db2.gz ZUTGYUZIHBMTQT-UHFFFAOYSA-N 1 0 382.529 3.827 20 30 GHEDRO Cc1c(C(=O)/C=C\c2ccc(N3CC[NH+](C)CC3)cc2)cnn1-c1ccccc1 ZINC000771518421 875310311 /nfs/dbraw/zinc/31/03/11/875310311.db2.gz RNVLKTQRXYWFMX-RAXLEYEMSA-N 1 0 386.499 3.829 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776096166 875336455 /nfs/dbraw/zinc/33/64/55/875336455.db2.gz HIDPRXPWRICIKZ-FQEVSTJZSA-N 1 0 377.488 3.827 20 30 GHEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776154052 875629651 /nfs/dbraw/zinc/62/96/51/875629651.db2.gz MQLBAMSWVPENGX-CVDCTZTESA-N 1 0 379.504 3.622 20 30 GHEDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000776155153 875638575 /nfs/dbraw/zinc/63/85/75/875638575.db2.gz ZTMCQQXWTPWMCA-XMSQKQJNSA-N 1 0 379.504 3.719 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000772114229 875705579 /nfs/dbraw/zinc/70/55/79/875705579.db2.gz XKYXEOOMQLEYFA-HSZRJFAPSA-N 1 0 398.547 3.512 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000529218180 875847800 /nfs/dbraw/zinc/84/78/00/875847800.db2.gz UUUIHQYUWKFCKO-SFHVURJKSA-N 1 0 392.503 3.833 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000858245084 882971427 /nfs/dbraw/zinc/97/14/27/882971427.db2.gz MYBBYQAOXTWOJS-IERDGZPVSA-N 1 0 385.895 3.626 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCOC[C@@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001201874960 875918821 /nfs/dbraw/zinc/91/88/21/875918821.db2.gz MMOYUKVWTSQGBR-QFIPXVFZSA-N 1 0 382.589 3.713 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 ZINC000858272003 882993628 /nfs/dbraw/zinc/99/36/28/882993628.db2.gz AOVLQZOWYUPGOD-FZKQIMNGSA-N 1 0 387.842 3.665 20 30 GHEDRO Cc1ccc(C)c(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2cccc(C)c2)c1 ZINC000151912594 876106630 /nfs/dbraw/zinc/10/66/30/876106630.db2.gz ZHFQJBTYYLOFAJ-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000030511071 876135633 /nfs/dbraw/zinc/13/56/33/876135633.db2.gz ALFYIFLEVFGAJP-KRWDZBQOSA-N 1 0 389.455 3.985 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000173652229 876550169 /nfs/dbraw/zinc/55/01/69/876550169.db2.gz TUDXQGBMMYEUEY-GOSISDBHSA-N 1 0 381.442 3.573 20 30 GHEDRO Cn1c(C(=O)N(CCC#N)CCC[NH+](C)C)cc2cc(C(F)(F)F)ccc21 ZINC000173832636 876670924 /nfs/dbraw/zinc/67/09/24/876670924.db2.gz GNBVAJMWNPMMSQ-UHFFFAOYSA-N 1 0 380.414 3.505 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnc(C(C)C)s1 ZINC000450742511 876843840 /nfs/dbraw/zinc/84/38/40/876843840.db2.gz BQYHSQMCRMFXGF-UHFFFAOYSA-N 1 0 392.598 3.760 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000450759054 876878200 /nfs/dbraw/zinc/87/82/00/876878200.db2.gz KCMYNYDOJGNQLE-LJQANCHMSA-N 1 0 386.446 3.819 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786892425 877010556 /nfs/dbraw/zinc/01/05/56/877010556.db2.gz RKYJKDBVJUUQCY-VQIMIIECSA-N 1 0 390.549 3.601 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000786892443 877010703 /nfs/dbraw/zinc/01/07/03/877010703.db2.gz RLURJARSVFVEKN-GHTZIAJQSA-N 1 0 397.519 3.580 20 30 GHEDRO CC[C@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)cc1 ZINC000850542472 877011368 /nfs/dbraw/zinc/01/13/68/877011368.db2.gz PHZAZCXLTCFYPU-OALUTQOASA-N 1 0 385.508 3.767 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450856426 877016006 /nfs/dbraw/zinc/01/60/06/877016006.db2.gz IHHCLJVIAZMRAF-IMAQQZIHSA-N 1 0 399.560 3.957 20 30 GHEDRO Cc1nc(SCC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000064311627 883092609 /nfs/dbraw/zinc/09/26/09/883092609.db2.gz CUHRTBNLNDFXFZ-CQSZACIVSA-N 1 0 388.581 3.597 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000609984487 877249547 /nfs/dbraw/zinc/24/95/47/877249547.db2.gz IQIIJGGDTIGKCU-QFIPXVFZSA-N 1 0 377.488 3.549 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@@H]1c1ccccc1 ZINC000746674052 877325244 /nfs/dbraw/zinc/32/52/44/877325244.db2.gz MRRMISWDGIVCOO-ICSRJNTNSA-N 1 0 386.499 3.936 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000175707984 877480116 /nfs/dbraw/zinc/48/01/16/877480116.db2.gz FURIUCYVNJTQFI-KGLIPLIRSA-N 1 0 383.414 3.967 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000477394466 877535605 /nfs/dbraw/zinc/53/56/05/877535605.db2.gz QBFBMFRXDAMRDZ-LJQANCHMSA-N 1 0 381.520 3.913 20 30 GHEDRO CCC(CC)[N@H+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000477455403 877656790 /nfs/dbraw/zinc/65/67/90/877656790.db2.gz BTENMCWEHXVYJI-UHFFFAOYSA-N 1 0 377.554 3.964 20 30 GHEDRO OC[C@@]1(F)CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451253338 877668542 /nfs/dbraw/zinc/66/85/42/877668542.db2.gz AHOXRYYFYBCFNE-PMACEKPBSA-N 1 0 377.381 3.857 20 30 GHEDRO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093440577 912271432 /nfs/dbraw/zinc/27/14/32/912271432.db2.gz DLIDDTHWLNIYAG-UHFFFAOYSA-N 1 0 382.483 3.506 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000237700532 877815089 /nfs/dbraw/zinc/81/50/89/877815089.db2.gz REWQLNXUDJDTKF-YOEHRIQHSA-N 1 0 394.393 3.526 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1OC ZINC000851646271 877853215 /nfs/dbraw/zinc/85/32/15/877853215.db2.gz SRCVCVYORRUYSN-CYIGTMLWSA-N 1 0 394.471 3.573 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1Cl ZINC000179736639 877929975 /nfs/dbraw/zinc/92/99/75/877929975.db2.gz SBZORINCZSTYAP-NRFANRHFSA-N 1 0 397.862 3.662 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451427281 877959982 /nfs/dbraw/zinc/95/99/82/877959982.db2.gz WUHACJXMJDWBAK-RWQQGDIJSA-N 1 0 387.549 3.645 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1C#N ZINC000746741495 877978214 /nfs/dbraw/zinc/97/82/14/877978214.db2.gz MUKXDXAADPQMJN-UHFFFAOYSA-N 1 0 397.276 3.805 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000642719130 912298220 /nfs/dbraw/zinc/29/82/20/912298220.db2.gz JMNJSCWEZHQYCK-IBGZPJMESA-N 1 0 388.519 3.627 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000176026734 878043340 /nfs/dbraw/zinc/04/33/40/878043340.db2.gz IXKSCROZMAEROS-UHFFFAOYSA-N 1 0 381.442 3.621 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1C#N ZINC000451495863 878044206 /nfs/dbraw/zinc/04/42/06/878044206.db2.gz SZCXJCLPMFHJSS-UIFIKXQLSA-N 1 0 396.535 3.577 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)ccn1)[C@H](C)Cc1ccc(OC)cc1 ZINC001183147902 912306702 /nfs/dbraw/zinc/30/67/02/912306702.db2.gz FNCBUOAOEJQNDO-QGZVFWFLSA-N 1 0 380.492 3.634 20 30 GHEDRO CC(C)[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)c1ccccc1 ZINC000788620051 878215189 /nfs/dbraw/zinc/21/51/89/878215189.db2.gz GXUANCAAHOHBHL-BJKOFHAPSA-N 1 0 377.532 3.870 20 30 GHEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852308024 878223392 /nfs/dbraw/zinc/22/33/92/878223392.db2.gz ROFJHWZADZZKMR-UHFFFAOYSA-N 1 0 381.904 3.977 20 30 GHEDRO CN(C)[C@]1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCSC1 ZINC000530644423 878230369 /nfs/dbraw/zinc/23/03/69/878230369.db2.gz WFKSSXJEJQVJPF-QFIPXVFZSA-N 1 0 381.545 3.664 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000852320765 878237042 /nfs/dbraw/zinc/23/70/42/878237042.db2.gz OMMKZEUVFMBXPF-HKUYNNGSSA-N 1 0 387.524 3.929 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)CC1 ZINC000176499518 878284470 /nfs/dbraw/zinc/28/44/70/878284470.db2.gz VHLYSNJFSJAWAL-HSZRJFAPSA-N 1 0 399.579 3.769 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CC)Cc2ccccc2Br)CC1 ZINC000176574920 878313870 /nfs/dbraw/zinc/31/38/70/878313870.db2.gz HXFYGPQQGZZPGH-OAHLLOKOSA-N 1 0 379.342 3.784 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c(C#N)c1C ZINC000451705149 878331556 /nfs/dbraw/zinc/33/15/56/878331556.db2.gz HYHIBNUFOSQNBB-AEFFLSMTSA-N 1 0 394.519 3.549 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1 ZINC000852472872 878350416 /nfs/dbraw/zinc/35/04/16/878350416.db2.gz HGCYNIMPMWFAPX-QAPCUYQASA-N 1 0 397.416 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC12CC([NH2+]C1CCN(c3ccccc3C#N)CC1)C2 ZINC001183196941 912347549 /nfs/dbraw/zinc/34/75/49/912347549.db2.gz KTXKRUHCODQMER-WWAKMMQFSA-N 1 0 396.535 3.562 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1C ZINC000852598088 878451512 /nfs/dbraw/zinc/45/15/12/878451512.db2.gz UFXUMOSKOHHSOI-UNMCSNQZSA-N 1 0 383.536 3.831 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC000852605408 878461858 /nfs/dbraw/zinc/46/18/58/878461858.db2.gz ZAQCCZHLWMWVSG-IBGZPJMESA-N 1 0 393.453 3.614 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460797106 878579593 /nfs/dbraw/zinc/57/95/93/878579593.db2.gz WKBULZFJIKZWNM-UYAOXDASSA-N 1 0 397.567 3.620 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451962026 878737874 /nfs/dbraw/zinc/73/78/74/878737874.db2.gz FGFJMUDFVXSSSQ-OXJNMPFZSA-N 1 0 375.513 3.680 20 30 GHEDRO C#C[C@H]([NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCOCC1 ZINC000853115645 878822101 /nfs/dbraw/zinc/82/21/01/878822101.db2.gz LPDJDPKTJQYYDX-QFIPXVFZSA-N 1 0 378.472 3.826 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460928648 878836329 /nfs/dbraw/zinc/83/63/29/878836329.db2.gz BWQISHNWMRKYAR-UHFFFAOYSA-N 1 0 383.540 3.582 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000531015533 878951670 /nfs/dbraw/zinc/95/16/70/878951670.db2.gz RVNGUKYASAXUJF-UHFFFAOYSA-N 1 0 385.537 3.657 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(Br)cnc2C#N)C1 ZINC000853331947 878970569 /nfs/dbraw/zinc/97/05/69/878970569.db2.gz AMXJMJADTZGFTH-GJZGRUSLSA-N 1 0 377.330 3.807 20 30 GHEDRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000616772626 879042612 /nfs/dbraw/zinc/04/26/12/879042612.db2.gz GCFCESDRGWRAEI-HSZRJFAPSA-N 1 0 389.478 3.702 20 30 GHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3sccc3C#N)cc2)C[C@H]1C ZINC000538241863 879068909 /nfs/dbraw/zinc/06/89/09/879068909.db2.gz BZINHFABXFSSHW-IAGOWNOFSA-N 1 0 397.544 3.559 20 30 GHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(C#N)s3)cc2)C[C@@H]1C ZINC000538243137 879069930 /nfs/dbraw/zinc/06/99/30/879069930.db2.gz QMYXROUAYOOTCM-IRXDYDNUSA-N 1 0 397.544 3.559 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000111388938 879082077 /nfs/dbraw/zinc/08/20/77/879082077.db2.gz VLBFEOOWEWDABZ-LJQANCHMSA-N 1 0 383.879 3.918 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC2CC2)c1 ZINC000068865728 879105189 /nfs/dbraw/zinc/10/51/89/879105189.db2.gz BYBPEWZCNUHSID-UHFFFAOYSA-O 1 0 377.436 3.575 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1OC(F)F)C(=S)NC1CC1 ZINC000068865741 879105279 /nfs/dbraw/zinc/10/52/79/879105279.db2.gz VHLNBOXYWZXZPS-UHFFFAOYSA-O 1 0 391.463 3.829 20 30 GHEDRO COCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000789698432 879177224 /nfs/dbraw/zinc/17/72/24/879177224.db2.gz ZHUWDGRIUVJXBI-KRWDZBQOSA-N 1 0 387.524 3.873 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccc(C#N)cc1 ZINC000789698936 879181081 /nfs/dbraw/zinc/18/10/81/879181081.db2.gz UXYWLSOEHKEXRS-CMJOXMDJSA-N 1 0 388.471 3.634 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)s1 ZINC000531152039 879210840 /nfs/dbraw/zinc/21/08/40/879210840.db2.gz PECIGEDTFJZFPL-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000564376899 879240946 /nfs/dbraw/zinc/24/09/46/879240946.db2.gz JWPSXUGYYLWJTB-UHFFFAOYSA-N 1 0 377.492 3.745 20 30 GHEDRO C=CC[C@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccncc1 ZINC000853747214 879259498 /nfs/dbraw/zinc/25/94/98/879259498.db2.gz OPROITWCBANLRG-VXKWHMMOSA-N 1 0 378.520 3.657 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000772745537 879305458 /nfs/dbraw/zinc/30/54/58/879305458.db2.gz MAECGMNYTREPGT-APWZRJJASA-N 1 0 398.617 3.621 20 30 GHEDRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NC2CC2)cc1 ZINC000069047712 879477710 /nfs/dbraw/zinc/47/77/10/879477710.db2.gz IIJBAJILDGMJQJ-UHFFFAOYSA-O 1 0 395.548 3.993 20 30 GHEDRO COCCN(C)c1ccc(C=[NH+][N-]c2ccc(Br)cc2F)cn1 ZINC000790161025 879498921 /nfs/dbraw/zinc/49/89/21/879498921.db2.gz ACHSYVVESDEZAG-UHFFFAOYSA-N 1 0 381.249 3.512 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000543702678 879563444 /nfs/dbraw/zinc/56/34/44/879563444.db2.gz BYISYSGFVLQCJH-SFHVURJKSA-N 1 0 394.519 3.903 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000152676505 879565608 /nfs/dbraw/zinc/56/56/08/879565608.db2.gz FUERJWFHTDDGMW-DYESRHJHSA-N 1 0 380.488 3.881 20 30 GHEDRO C=C(Br)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000069119303 879594453 /nfs/dbraw/zinc/59/44/53/879594453.db2.gz NPGMEPJVBMHTAH-UHFFFAOYSA-N 1 0 386.721 3.512 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000493714992 879606632 /nfs/dbraw/zinc/60/66/32/879606632.db2.gz ZGBSPAQNYFNIRZ-HXUWFJFHSA-N 1 0 385.305 3.890 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000538508695 879630741 /nfs/dbraw/zinc/63/07/41/879630741.db2.gz YSJSFZAFWVUCKU-QGZVFWFLSA-N 1 0 379.479 3.829 20 30 GHEDRO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000531360560 879698686 /nfs/dbraw/zinc/69/86/86/879698686.db2.gz IGHMYXUMHNSOLZ-LJQANCHMSA-N 1 0 377.492 3.626 20 30 GHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000790533558 879801483 /nfs/dbraw/zinc/80/14/83/879801483.db2.gz NVQSDMSDJSKSCK-UHFFFAOYSA-N 1 0 378.394 3.549 20 30 GHEDRO COc1cccc([C@@H](CNc2c(C#N)cnc3ccc(Cl)cc32)[NH+](C)C)c1 ZINC000461441046 879822116 /nfs/dbraw/zinc/82/21/16/879822116.db2.gz AFGDZCMOSGYGAM-HXUWFJFHSA-N 1 0 380.879 3.905 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)c(F)c1 ZINC000776739744 879848169 /nfs/dbraw/zinc/84/81/69/879848169.db2.gz CPGYRBKZGFRBFG-PIGZYNQJSA-N 1 0 376.815 3.506 20 30 GHEDRO C=CCSCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000494054052 879859297 /nfs/dbraw/zinc/85/92/97/879859297.db2.gz AICGVVQDJRPVFO-IBGZPJMESA-N 1 0 397.512 3.967 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000461460792 879875864 /nfs/dbraw/zinc/87/58/64/879875864.db2.gz PDCFZKYMDKYUFK-UHFFFAOYSA-N 1 0 389.459 3.890 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1cccs1 ZINC000465402419 880099810 /nfs/dbraw/zinc/09/98/10/880099810.db2.gz IWHGXSOKXJZABR-GUDVDZBRSA-N 1 0 382.533 3.832 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3nc(Cl)ccc3C#N)nc3ccc(C)cc3n12 ZINC001170146457 880110577 /nfs/dbraw/zinc/11/05/77/880110577.db2.gz NIVRJUFJMWBAPQ-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)CC1 ZINC000173272258 880251206 /nfs/dbraw/zinc/25/12/06/880251206.db2.gz PWLGLVBYZNXLQI-UHFFFAOYSA-N 1 0 395.956 3.546 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)s1 ZINC000855163142 880314112 /nfs/dbraw/zinc/31/41/12/880314112.db2.gz TXURDZTYRBGTFQ-CYBMUJFWSA-N 1 0 388.002 3.828 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1=S ZINC000795705946 912559445 /nfs/dbraw/zinc/55/94/45/912559445.db2.gz JNXDZTOODSIKTB-CVEARBPZSA-N 1 0 389.594 3.845 20 30 GHEDRO C=C(C)C[C@H](C)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000185624398 880639244 /nfs/dbraw/zinc/63/92/44/880639244.db2.gz BMGIPFGRRWTBIA-FQEVSTJZSA-N 1 0 392.547 3.987 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2SCC#N)C1 ZINC000855734709 880706280 /nfs/dbraw/zinc/70/62/80/880706280.db2.gz GHOWUDSONASOMF-LJQANCHMSA-N 1 0 379.529 3.691 20 30 GHEDRO CC#CCCCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000185867283 880715478 /nfs/dbraw/zinc/71/54/78/880715478.db2.gz KILLBQFNDXLFPT-UHFFFAOYSA-N 1 0 377.326 3.723 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453412532 880876359 /nfs/dbraw/zinc/87/63/59/880876359.db2.gz ILFIPTSDRHRDLN-TYPHKJRUSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1ccc(C)cc1 ZINC000792040542 880889754 /nfs/dbraw/zinc/88/97/54/880889754.db2.gz SXKWGPQEUPVVLL-UHFFFAOYSA-N 1 0 386.565 3.972 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC)C1CCOCC1 ZINC000856108301 880964575 /nfs/dbraw/zinc/96/45/75/880964575.db2.gz GRRVIMBYKUMWIS-MOPGFXCFSA-N 1 0 396.453 3.633 20 30 GHEDRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000792230004 880991639 /nfs/dbraw/zinc/99/16/39/880991639.db2.gz AFXRIZCUTJMSLW-VXKWHMMOSA-N 1 0 376.504 3.853 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001183567127 912635981 /nfs/dbraw/zinc/63/59/81/912635981.db2.gz OILOGKGIMZXTPP-XMMPIXPASA-N 1 0 387.527 3.861 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476792626 883131894 /nfs/dbraw/zinc/13/18/94/883131894.db2.gz PBTWGKYKEHNBOX-KHQYNDFOSA-N 1 0 398.551 3.668 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609546598 883338777 /nfs/dbraw/zinc/33/87/77/883338777.db2.gz DNCHBLFNPOEXOV-QGZVFWFLSA-N 1 0 378.476 3.740 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000193681982 883424816 /nfs/dbraw/zinc/42/48/16/883424816.db2.gz JNYWVMNYSSMQJX-UHFFFAOYSA-N 1 0 398.551 3.885 20 30 GHEDRO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000609637123 883493351 /nfs/dbraw/zinc/49/33/51/883493351.db2.gz AANRVDSUCTZEGA-UHFFFAOYSA-N 1 0 383.517 3.696 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c2)cc1 ZINC000609662575 883501892 /nfs/dbraw/zinc/50/18/92/883501892.db2.gz ZIANHDANZZMCSZ-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C#C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Cl)cc1F ZINC000805123899 883607890 /nfs/dbraw/zinc/60/78/90/883607890.db2.gz UFKGNEJOIZGSJB-IBGZPJMESA-N 1 0 391.849 3.854 20 30 GHEDRO N#CCSc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001130124434 883678474 /nfs/dbraw/zinc/67/84/74/883678474.db2.gz FAJASIOFKGLZGT-CTNGQTDRSA-N 1 0 377.513 3.649 20 30 GHEDRO N#CC[C@H](CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000477108729 883727982 /nfs/dbraw/zinc/72/79/82/883727982.db2.gz KHKMYBCXJYTOJA-YADHBBJMSA-N 1 0 393.556 3.808 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000079215998 883747112 /nfs/dbraw/zinc/74/71/12/883747112.db2.gz XCLUCPSJFWOCRL-SFHVURJKSA-N 1 0 377.598 3.705 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000477120522 883748020 /nfs/dbraw/zinc/74/80/20/883748020.db2.gz JQOQTWANHDYRSX-SFHVURJKSA-N 1 0 389.565 3.532 20 30 GHEDRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000064614499 883753141 /nfs/dbraw/zinc/75/31/41/883753141.db2.gz ODAXKZVBJBPOMN-UHFFFAOYSA-N 1 0 395.503 3.516 20 30 GHEDRO Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1OCC[NH+]1CCCC1 ZINC000609887147 883795903 /nfs/dbraw/zinc/79/59/03/883795903.db2.gz XDHBSMBJPCDRGZ-SFHVURJKSA-N 1 0 393.487 3.747 20 30 GHEDRO C#CCCCCC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001130168686 883799496 /nfs/dbraw/zinc/79/94/96/883799496.db2.gz HLHVNRUMBAYLIE-UHFFFAOYSA-N 1 0 380.330 3.579 20 30 GHEDRO N#CCSCCCOC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000805453151 883857065 /nfs/dbraw/zinc/85/70/65/883857065.db2.gz PQWGDUYPHZRSMM-KRWDZBQOSA-N 1 0 386.439 3.631 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000859524556 883870400 /nfs/dbraw/zinc/87/04/00/883870400.db2.gz AIXBHCVSTWWFME-SFHVURJKSA-N 1 0 377.326 3.547 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c(OC)c1 ZINC000859632176 883958964 /nfs/dbraw/zinc/95/89/64/883958964.db2.gz DKAAJVVKRDNOQF-ZWKOTPCHSA-N 1 0 395.503 3.998 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)C1 ZINC000805750545 884023364 /nfs/dbraw/zinc/02/33/64/884023364.db2.gz OHPTWFKBMKXWIK-DZGCQCFKSA-N 1 0 394.313 3.667 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000556184364 884037701 /nfs/dbraw/zinc/03/77/01/884037701.db2.gz XMJLTBZOZKJBDD-UHFFFAOYSA-N 1 0 390.512 3.871 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccccc3SCC#N)cc2)CC1 ZINC000918614347 884045016 /nfs/dbraw/zinc/04/50/16/884045016.db2.gz VZTWTJNGAKODDM-UHFFFAOYSA-N 1 0 380.517 3.696 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793971 884082147 /nfs/dbraw/zinc/08/21/47/884082147.db2.gz MHQDQZWCPRYLPA-PGRDOPGGSA-N 1 0 393.572 3.523 20 30 GHEDRO CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805855339 884149524 /nfs/dbraw/zinc/14/95/24/884149524.db2.gz HDMPCJIUZZLUHI-IBGZPJMESA-N 1 0 391.471 3.642 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000918688331 884156051 /nfs/dbraw/zinc/15/60/51/884156051.db2.gz MCLMNEQNTISKMQ-LRZVDXDASA-N 1 0 398.551 3.964 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859894482 884159326 /nfs/dbraw/zinc/15/93/26/884159326.db2.gz SOTBZRQBUUZRLW-GCJKJVERSA-N 1 0 375.516 3.863 20 30 GHEDRO O=S1(=O)C[C@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)c2ccccc21 ZINC000263144491 884170553 /nfs/dbraw/zinc/17/05/53/884170553.db2.gz OPBSCNBKZMJFIV-KRWDZBQOSA-N 1 0 383.517 3.512 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000914581360 884247419 /nfs/dbraw/zinc/24/74/19/884247419.db2.gz ANBMTKLAWFEANC-QGZVFWFLSA-N 1 0 393.350 3.915 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H](C)c2ccns2)c1C#N ZINC000860052366 884294583 /nfs/dbraw/zinc/29/45/83/884294583.db2.gz YFOFIUFDSFFGGF-CQSZACIVSA-N 1 0 397.504 3.754 20 30 GHEDRO COc1cccc([C@@H](O)C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000860141548 884361226 /nfs/dbraw/zinc/36/12/26/884361226.db2.gz DVZOGZVYNCOFDP-QHCPKHFHSA-N 1 0 380.488 3.781 20 30 GHEDRO COc1cccc(-c2cc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)on2)c1 ZINC000897842691 884486373 /nfs/dbraw/zinc/48/63/73/884486373.db2.gz YWUSLLSHDKVDPV-UHFFFAOYSA-N 1 0 376.460 3.990 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H]1C ZINC000498550422 884803461 /nfs/dbraw/zinc/80/34/61/884803461.db2.gz PGFAKYIHRZZESN-ZWKOTPCHSA-N 1 0 377.488 3.692 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000806639953 884891151 /nfs/dbraw/zinc/89/11/51/884891151.db2.gz WFMMEFLVVLLJRM-FQEVSTJZSA-N 1 0 381.545 3.805 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H]1C ZINC000498570831 884896991 /nfs/dbraw/zinc/89/69/91/884896991.db2.gz GZLSTFPMLHEZIQ-ZWKOTPCHSA-N 1 0 377.488 3.692 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001183891846 912877103 /nfs/dbraw/zinc/87/71/03/912877103.db2.gz UQHGQGDRJUEYIY-UHFFFAOYSA-N 1 0 390.462 3.506 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CC1 ZINC000106038312 884936658 /nfs/dbraw/zinc/93/66/58/884936658.db2.gz DFPZZCNRRZNFPJ-UHFFFAOYSA-N 1 0 398.528 3.957 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761114 884942356 /nfs/dbraw/zinc/94/23/56/884942356.db2.gz DVQUWBKCRVIATB-UHFFFAOYSA-N 1 0 375.428 3.888 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]1(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C(F)(F)F ZINC001183900150 912879295 /nfs/dbraw/zinc/87/92/95/912879295.db2.gz ZXPLFCSCIYTHFW-VBQJREDUSA-N 1 0 375.435 3.990 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000106243124 885004507 /nfs/dbraw/zinc/00/45/07/885004507.db2.gz MJVXKQHNMDFTEX-KRWDZBQOSA-N 1 0 376.928 3.567 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)sc2c1CCC2 ZINC000103480958 885011804 /nfs/dbraw/zinc/01/18/04/885011804.db2.gz KUDFCOGSDMVDOL-MRXNPFEDSA-N 1 0 380.517 3.623 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 ZINC000106268554 885022552 /nfs/dbraw/zinc/02/25/52/885022552.db2.gz KMSQISLSBKKZSD-UHFFFAOYSA-N 1 0 386.540 3.633 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000153391405 885054794 /nfs/dbraw/zinc/05/47/94/885054794.db2.gz WOSXKEWAJUIOON-HNNXBMFYSA-N 1 0 390.837 3.820 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000860856319 885056666 /nfs/dbraw/zinc/05/66/66/885056666.db2.gz GNHXOTAFNNFVST-XPWALMASSA-N 1 0 386.495 3.921 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556505965 885161722 /nfs/dbraw/zinc/16/17/22/885161722.db2.gz SFSHTTYBDRESSZ-UHFFFAOYSA-N 1 0 385.471 3.578 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460387035 885235793 /nfs/dbraw/zinc/23/57/93/885235793.db2.gz NVZAUSCEDOYWPY-HXUWFJFHSA-N 1 0 388.519 3.627 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000807465113 885460322 /nfs/dbraw/zinc/46/03/22/885460322.db2.gz DVVAJQOMFYXALK-AKIFATBCSA-N 1 0 381.564 3.917 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000807467971 885462170 /nfs/dbraw/zinc/46/21/70/885462170.db2.gz LRNAYQHDCLZISS-NRFANRHFSA-N 1 0 399.485 3.673 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000807492778 885489834 /nfs/dbraw/zinc/48/98/34/885489834.db2.gz SZSKEGGPLQRKOJ-KKSFZXQISA-N 1 0 390.487 3.980 20 30 GHEDRO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714724 885575669 /nfs/dbraw/zinc/57/56/69/885575669.db2.gz XTZYBFIMPGDFOX-QGZVFWFLSA-N 1 0 395.478 3.588 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000487902176 885592321 /nfs/dbraw/zinc/59/23/21/885592321.db2.gz XKWRKQZOMJMMAJ-DOMZBBRYSA-N 1 0 379.302 3.657 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000476409127 885618805 /nfs/dbraw/zinc/61/88/05/885618805.db2.gz BKYDLTVKQPQLFM-IBGZPJMESA-N 1 0 395.613 3.767 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]2CCCC[C@H]12 ZINC000532469868 885656724 /nfs/dbraw/zinc/65/67/24/885656724.db2.gz QFRLTNCGUZJAQO-AHRSYUTCSA-N 1 0 377.492 3.583 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807739821 885675462 /nfs/dbraw/zinc/67/54/62/885675462.db2.gz PJYGXXCXLNCEDU-UZLBHIALSA-N 1 0 388.471 3.643 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 ZINC000747417763 885680727 /nfs/dbraw/zinc/68/07/27/885680727.db2.gz ZCKMCLOBYAWWPT-UHFFFAOYSA-N 1 0 391.446 3.851 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000556690425 885912673 /nfs/dbraw/zinc/91/26/73/885912673.db2.gz VNYQAJZZMXOHDD-UHFFFAOYSA-N 1 0 390.959 3.639 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1=S ZINC000808192209 886090212 /nfs/dbraw/zinc/09/02/12/886090212.db2.gz RCTBZFYMGCDKQC-HKUYNNGSSA-N 1 0 398.580 3.568 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)ccc1OC ZINC000131484635 886134790 /nfs/dbraw/zinc/13/47/90/886134790.db2.gz LWLRTSCJETVTGG-QGZVFWFLSA-N 1 0 393.487 3.538 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)CCn2cc(Br)cn2)c1O ZINC000808242468 886182237 /nfs/dbraw/zinc/18/22/37/886182237.db2.gz CFIZMFPWIIPEQB-UHFFFAOYSA-N 1 0 394.313 3.610 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000808300365 886234313 /nfs/dbraw/zinc/23/43/13/886234313.db2.gz IMHPZABJZVNNRD-XYOKQWHBSA-N 1 0 379.460 3.549 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1cccs1 ZINC000026257248 886242665 /nfs/dbraw/zinc/24/26/65/886242665.db2.gz WRMVZJVFOYIVAS-UHFFFAOYSA-N 1 0 375.450 3.682 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2C)ccc1OC ZINC000808389044 886318163 /nfs/dbraw/zinc/31/81/63/886318163.db2.gz DCIKCKQUVJWKCK-GOSISDBHSA-N 1 0 384.476 3.992 20 30 GHEDRO N#Cc1ncc(C(F)(F)F)cc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000556852190 886357883 /nfs/dbraw/zinc/35/78/83/886357883.db2.gz WVNLNUOVZLCFIU-QGZVFWFLSA-N 1 0 390.409 3.675 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000056741063 886360132 /nfs/dbraw/zinc/36/01/32/886360132.db2.gz VYIHDNRZMCZXOM-IBGZPJMESA-N 1 0 398.551 3.744 20 30 GHEDRO C#C[C@H]([NH2+]Cc1c(Oc2ccc(F)cc2)nc2ccccn21)C1CCOCC1 ZINC000862418406 886361077 /nfs/dbraw/zinc/36/10/77/886361077.db2.gz IRDFTHMCUWTUAG-IBGZPJMESA-N 1 0 379.435 3.784 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000808452953 886364014 /nfs/dbraw/zinc/36/40/14/886364014.db2.gz ACWWVJCSFPEBFU-VWNXMTODSA-N 1 0 386.451 3.721 20 30 GHEDRO Cc1ncsc1-c1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC000862422883 886364964 /nfs/dbraw/zinc/36/49/64/886364964.db2.gz JNAKPYGIHVHUQV-UHFFFAOYSA-N 1 0 375.501 3.707 20 30 GHEDRO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)s1 ZINC000862474569 886398283 /nfs/dbraw/zinc/39/82/83/886398283.db2.gz UZPQBQFKMRAYQO-AWEZNQCLSA-N 1 0 385.489 3.600 20 30 GHEDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000556887789 886466234 /nfs/dbraw/zinc/46/62/34/886466234.db2.gz IGNLJWGDAVCZKE-GAJHUEQPSA-N 1 0 379.504 3.901 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CC3(CO)CC(c4ccccc4)C3)CC2)cc1 ZINC000556888106 886504367 /nfs/dbraw/zinc/50/43/67/886504367.db2.gz XRYMKJOCPWBARU-UHFFFAOYSA-N 1 0 375.516 3.673 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000862691345 886542546 /nfs/dbraw/zinc/54/25/46/886542546.db2.gz RAVBHPGMWIQIKE-OAQYLSRUSA-N 1 0 377.488 3.572 20 30 GHEDRO Cc1ccc(-c2noc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000054454798 886674601 /nfs/dbraw/zinc/67/46/01/886674601.db2.gz XFSXKIGRLPVMBJ-UHFFFAOYSA-N 1 0 387.487 3.625 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000670197578 886744608 /nfs/dbraw/zinc/74/46/08/886744608.db2.gz UPTBJUJHFPLMDX-IBGZPJMESA-N 1 0 389.588 3.872 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000808794610 886789825 /nfs/dbraw/zinc/78/98/25/886789825.db2.gz LRGKQGHWXXKQRW-NRFANRHFSA-N 1 0 388.870 3.809 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153622997 886795388 /nfs/dbraw/zinc/79/53/88/886795388.db2.gz KQRZLMBEOSCYII-AWEZNQCLSA-N 1 0 375.900 3.677 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]C[C@H](O)CC3(C#N)CC3)cccc21 ZINC000863557752 887209434 /nfs/dbraw/zinc/20/94/34/887209434.db2.gz QUFXCQZIGAKMAK-QGZVFWFLSA-N 1 0 385.508 3.519 20 30 GHEDRO [NH2+]=C(NCc1ccn(C2CCCC2)n1)NCc1ccc(OC(F)(F)F)cc1 ZINC000119580421 887280394 /nfs/dbraw/zinc/28/03/94/887280394.db2.gz QKLVAFQRVJHEQG-UHFFFAOYSA-N 1 0 381.402 3.501 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000105039551 887311080 /nfs/dbraw/zinc/31/10/80/887311080.db2.gz HCOXXXOFHSJCOE-UHFFFAOYSA-N 1 0 376.460 3.910 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(OC)ccc1Br)C(C)C ZINC000496013785 887385467 /nfs/dbraw/zinc/38/54/67/887385467.db2.gz JPMKPADTPWUISK-SFHVURJKSA-N 1 0 395.341 3.886 20 30 GHEDRO C[C@@H]1C[C@H](N(C)Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000459340817 887484356 /nfs/dbraw/zinc/48/43/56/887484356.db2.gz JCXWKYBKDLGWKY-YLJYHZDGSA-N 1 0 378.476 3.951 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)CC1 ZINC000171737629 887539799 /nfs/dbraw/zinc/53/97/99/887539799.db2.gz OOWGGHGGGAKLST-UHFFFAOYSA-N 1 0 394.519 3.626 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)ccc1OC ZINC000809619177 887590941 /nfs/dbraw/zinc/59/09/41/887590941.db2.gz QVCVHOAGESWPBT-JCYILVPMSA-N 1 0 389.496 3.521 20 30 GHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSCc1ccc(C#N)cc1 ZINC000915835736 887684108 /nfs/dbraw/zinc/68/41/08/887684108.db2.gz VNMNJRPOFQXYKB-IRLDBZIGSA-N 1 0 391.540 3.934 20 30 GHEDRO C[C@@H]([NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000794689030 887823101 /nfs/dbraw/zinc/82/31/01/887823101.db2.gz NKWQANMEVRMCBP-ZQMYSKGWSA-N 1 0 385.467 3.950 20 30 GHEDRO C=C1CC=C(F)C=C1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001184444745 913202925 /nfs/dbraw/zinc/20/29/25/913202925.db2.gz XKJKMGHLLANKGI-KRWDZBQOSA-N 1 0 393.503 3.520 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000810129999 888194640 /nfs/dbraw/zinc/19/46/40/888194640.db2.gz XNRGMSXKYKUCFU-IAGOWNOFSA-N 1 0 390.487 3.753 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)c(C(F)(F)F)c1 ZINC000810155811 888244501 /nfs/dbraw/zinc/24/45/01/888244501.db2.gz IEORNDMXXFXYNV-CSKARUKUSA-N 1 0 387.405 3.886 20 30 GHEDRO CC(C)(C)OC(=O)NCc1cccc(C[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000865451892 888361297 /nfs/dbraw/zinc/36/12/97/888361297.db2.gz FKTYQUZRYMHDQW-UHFFFAOYSA-N 1 0 381.476 3.903 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000763268301 888420301 /nfs/dbraw/zinc/42/03/01/888420301.db2.gz ZLBQRGLFNXWGPB-OAQYLSRUSA-N 1 0 377.488 3.827 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000057965108 888422671 /nfs/dbraw/zinc/42/26/71/888422671.db2.gz ZCLTWQXKGUYZKK-UHFFFAOYSA-N 1 0 381.520 3.799 20 30 GHEDRO N#Cc1cccc(-c2nc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)n[nH]2)c1 ZINC001184482761 913249838 /nfs/dbraw/zinc/24/98/38/913249838.db2.gz UVZBDJFKZUXXKX-UHFFFAOYSA-N 1 0 386.459 3.582 20 30 GHEDRO C=C(CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000496172845 888558894 /nfs/dbraw/zinc/55/88/94/888558894.db2.gz UJROPDOQBVBYPM-UHFFFAOYSA-N 1 0 379.504 3.674 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC001132306570 888578687 /nfs/dbraw/zinc/57/86/87/888578687.db2.gz JHBJXNZBFDRVDY-OIBXWCBGSA-N 1 0 375.516 3.958 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c(-c2ccccc2)n1 ZINC000865880218 888626836 /nfs/dbraw/zinc/62/68/36/888626836.db2.gz WMQMRGYDJRREKT-UHFFFAOYSA-N 1 0 387.487 3.733 20 30 GHEDRO O=C(C#Cc1cccs1)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000825567834 888688570 /nfs/dbraw/zinc/68/85/70/888688570.db2.gz HEOYBDLCGXJKTA-UHFFFAOYSA-N 1 0 381.501 3.553 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc3c(cnn3C)c2)no1 ZINC001211975953 888780428 /nfs/dbraw/zinc/78/04/28/888780428.db2.gz VKVSTJXYMZIBIQ-MJGOQNOKSA-N 1 0 383.496 3.701 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000810838732 888926010 /nfs/dbraw/zinc/92/60/10/888926010.db2.gz RGVYOETWZGAMLM-NHCUHLMSSA-N 1 0 376.456 3.921 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000121699533 889095718 /nfs/dbraw/zinc/09/57/18/889095718.db2.gz ZUPXIYZHRRTRNQ-VQTJNVASSA-N 1 0 399.535 3.516 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763410051 889234295 /nfs/dbraw/zinc/23/42/95/889234295.db2.gz YBMVFTHDUVBCFE-QFIPXVFZSA-N 1 0 379.435 3.950 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2nn(CCC(C)C)c3ccccc23)CC1 ZINC000454542696 889246803 /nfs/dbraw/zinc/24/68/03/889246803.db2.gz LJNBPTFQOFARCI-UHFFFAOYSA-N 1 0 383.540 3.532 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000532924764 889289845 /nfs/dbraw/zinc/28/98/45/889289845.db2.gz JLUWCIHIOVURKT-HXUWFJFHSA-N 1 0 376.504 3.534 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC2CC[NH+](C(C)C)CC2)c1 ZINC000868253242 889370408 /nfs/dbraw/zinc/37/04/08/889370408.db2.gz MAKUYMGCAMCOSX-FQEVSTJZSA-N 1 0 386.540 3.677 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000064229390 889876016 /nfs/dbraw/zinc/87/60/16/889876016.db2.gz MWEXXKLFDRZHLW-UHFFFAOYSA-N 1 0 376.504 3.908 20 30 GHEDRO C=CCCCCC[N@H+]1CC[C@]2(C1)CN(C[C@@H](C)CC(F)(F)F)C(=O)CO2 ZINC001275329097 913392251 /nfs/dbraw/zinc/39/22/51/913392251.db2.gz MAJKJJMJCHPGLN-WMZOPIPTSA-N 1 0 376.463 3.625 20 30 GHEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000245951125 890063536 /nfs/dbraw/zinc/06/35/36/890063536.db2.gz PDONJMAMVFPGGY-XQBPLPMBSA-N 1 0 398.551 3.562 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3c(Cl)nc4ccccn43)CC2)cc1 ZINC000122805266 890107206 /nfs/dbraw/zinc/10/72/06/890107206.db2.gz WJHOZHQFHOESKA-UHFFFAOYSA-N 1 0 379.895 3.567 20 30 GHEDRO C=CCC(C)(C)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454996929 890109015 /nfs/dbraw/zinc/10/90/15/890109015.db2.gz KWJLQLZNYDVCKC-OAQYLSRUSA-N 1 0 399.579 3.817 20 30 GHEDRO C=CCCCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000455059991 890219899 /nfs/dbraw/zinc/21/98/99/890219899.db2.gz UPAQKMXXRWMSME-NRFANRHFSA-N 1 0 385.552 3.523 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000497202523 890296502 /nfs/dbraw/zinc/29/65/02/890296502.db2.gz ZYQNRKZRLPKRNS-UHFFFAOYSA-N 1 0 390.531 3.976 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000533334853 890318732 /nfs/dbraw/zinc/31/87/32/890318732.db2.gz QJHNKEODUGDHMO-ZWKOTPCHSA-N 1 0 393.512 3.787 20 30 GHEDRO C[C@@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000795122875 890359629 /nfs/dbraw/zinc/35/96/29/890359629.db2.gz CHVYNXRIQOCXMN-UEIZDATPSA-N 1 0 381.564 3.673 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccc(F)cc1 ZINC000812315212 890530673 /nfs/dbraw/zinc/53/06/73/890530673.db2.gz RILBAGHIRORFQC-OAQYLSRUSA-N 1 0 394.494 3.772 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)c2ncc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000533578042 890884964 /nfs/dbraw/zinc/88/49/64/890884964.db2.gz NJKGLFGPMWQMFR-RDJZCZTQSA-N 1 0 382.895 3.637 20 30 GHEDRO C=CCCOCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000644809965 913506996 /nfs/dbraw/zinc/50/69/96/913506996.db2.gz SDELJXZKNFTVEY-HSZRJFAPSA-N 1 0 393.531 3.668 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3F)CC2)C1=O ZINC001275350502 913509100 /nfs/dbraw/zinc/50/91/00/913509100.db2.gz CYEIXUGASXXQOL-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812880374 891060104 /nfs/dbraw/zinc/06/01/04/891060104.db2.gz ISRPDGDHEQXIHE-SIKLNZKXSA-N 1 0 379.479 3.711 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812896803 891110261 /nfs/dbraw/zinc/11/02/61/891110261.db2.gz BDSNQFHMONPURM-AGHHOFFYSA-N 1 0 379.479 3.710 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812896805 891110469 /nfs/dbraw/zinc/11/04/69/891110469.db2.gz BDSNQFHMONPURM-XJABCFGWSA-N 1 0 379.479 3.710 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1 ZINC000287782250 913533198 /nfs/dbraw/zinc/53/31/98/913533198.db2.gz YRWSQWDGQWFQKR-UHFFFAOYSA-N 1 0 394.397 3.526 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278349 891223945 /nfs/dbraw/zinc/22/39/45/891223945.db2.gz OHDXKNFYHAVRJN-UYAOXDASSA-N 1 0 399.535 3.754 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278348 891225004 /nfs/dbraw/zinc/22/50/04/891225004.db2.gz OHDXKNFYHAVRJN-QUCCMNQESA-N 1 0 399.535 3.754 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(N4CCCC4)o3)CC2)C1 ZINC001137061360 891286786 /nfs/dbraw/zinc/28/67/86/891286786.db2.gz RXXJEUTZRKGMRS-UHFFFAOYSA-N 1 0 387.524 3.880 20 30 GHEDRO COc1cccc(-c2nc(CON=C(N)c3ccc(C[NH+](C)C)cc3)cs2)c1 ZINC000747838703 891302433 /nfs/dbraw/zinc/30/24/33/891302433.db2.gz IICADWJQLIVZJU-UHFFFAOYSA-N 1 0 396.516 3.717 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1=S ZINC000872737362 891317042 /nfs/dbraw/zinc/31/70/42/891317042.db2.gz LXULWNRALBTKNE-LJQANCHMSA-N 1 0 385.581 3.805 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000872891696 891372315 /nfs/dbraw/zinc/37/23/15/891372315.db2.gz UHGSSUARSGVEAE-HXUWFJFHSA-N 1 0 398.551 3.918 20 30 GHEDRO CC(C)CCOC1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000917128883 891387827 /nfs/dbraw/zinc/38/78/27/891387827.db2.gz VLHUYLLNOOMZDY-LJQANCHMSA-N 1 0 392.503 3.751 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001126752588 891399538 /nfs/dbraw/zinc/39/95/38/891399538.db2.gz GVZYWOCYUOODGU-SIKLNZKXSA-N 1 0 376.500 3.872 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1)CC1CC1 ZINC000497436733 891574980 /nfs/dbraw/zinc/57/49/80/891574980.db2.gz OAJUKHFNUQPNEH-UHFFFAOYSA-N 1 0 382.552 3.598 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3cccc(OCCCC#N)c3)c2)CCO1 ZINC000237424700 891720558 /nfs/dbraw/zinc/72/05/58/891720558.db2.gz JIWIJBAIOVBPOZ-HXUWFJFHSA-N 1 0 393.531 3.880 20 30 GHEDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000191949062 891727214 /nfs/dbraw/zinc/72/72/14/891727214.db2.gz KMSBENQYWKBXKP-UHFFFAOYSA-N 1 0 389.908 3.501 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000214427866 892058491 /nfs/dbraw/zinc/05/84/91/892058491.db2.gz RHXMJOVHUGOMPA-SKIIKRCTSA-N 1 0 392.499 3.664 20 30 GHEDRO C#CCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000154416583 892081423 /nfs/dbraw/zinc/08/14/23/892081423.db2.gz KNMBCCNCZUAAMQ-UHFFFAOYSA-N 1 0 377.488 3.532 20 30 GHEDRO N#Cc1cc2ccccc2nc1N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001170714651 892082053 /nfs/dbraw/zinc/08/20/53/892082053.db2.gz KDIFMOXDFATFLP-HZCBDIJESA-N 1 0 389.547 3.857 20 30 GHEDRO N#Cc1cnc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c2sccc21 ZINC001170721120 892197556 /nfs/dbraw/zinc/19/75/56/892197556.db2.gz VRFHFHYKVWDYIU-WGSAOQKQSA-N 1 0 395.576 3.919 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1OC ZINC000623452850 892281044 /nfs/dbraw/zinc/28/10/44/892281044.db2.gz RLYIEGSMNOUBLI-GOSISDBHSA-N 1 0 392.927 3.937 20 30 GHEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]2C ZINC000611688306 892342668 /nfs/dbraw/zinc/34/26/68/892342668.db2.gz QAMDBSRDTAGZPS-SQGPQFPESA-N 1 0 380.488 3.509 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000814250389 892465119 /nfs/dbraw/zinc/46/51/19/892465119.db2.gz QXCJQDPPHNRMCY-HZPDHXFCSA-N 1 0 392.459 3.583 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(F)(F)F)c1 ZINC000875343801 892558036 /nfs/dbraw/zinc/55/80/36/892558036.db2.gz LZJYULHKRGPXSO-GOSISDBHSA-N 1 0 394.441 3.868 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)N[C@H](C)CC)cc1 ZINC000154530447 892600984 /nfs/dbraw/zinc/60/09/84/892600984.db2.gz SZBZINTZFPVPMO-OAHLLOKOSA-O 1 0 399.536 3.635 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000533740281 892710270 /nfs/dbraw/zinc/71/02/70/892710270.db2.gz DJZAUKRPFYHDKX-LEWJYISDSA-N 1 0 396.535 3.948 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271793425 892869342 /nfs/dbraw/zinc/86/93/42/892869342.db2.gz JQQDDHHSQSMBFN-WZQKQDCOSA-N 1 0 388.558 3.991 20 30 GHEDRO C=CCSCC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272434035 892901990 /nfs/dbraw/zinc/90/19/90/892901990.db2.gz NRDNJHMOFHULMI-LJQANCHMSA-N 1 0 379.522 3.827 20 30 GHEDRO C=CCSCC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272434032 892903671 /nfs/dbraw/zinc/90/36/71/892903671.db2.gz NRDNJHMOFHULMI-IBGZPJMESA-N 1 0 379.522 3.827 20 30 GHEDRO CC(C)[C@@H]1CC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000814726900 893104848 /nfs/dbraw/zinc/10/48/48/893104848.db2.gz FNCOCVBGZBSPHQ-IBGZPJMESA-N 1 0 390.622 3.633 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000455730735 893110208 /nfs/dbraw/zinc/11/02/08/893110208.db2.gz KRZNDCFPRIVIDG-IBGZPJMESA-N 1 0 386.883 3.839 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCCF ZINC000455719107 893129188 /nfs/dbraw/zinc/12/91/88/893129188.db2.gz UCSJCWPFBJTBEE-UHFFFAOYSA-N 1 0 384.455 3.502 20 30 GHEDRO C[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562924445 893171326 /nfs/dbraw/zinc/17/13/26/893171326.db2.gz IUKUNLOJBUDWJF-GOEBONIOSA-N 1 0 383.883 3.639 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)C2CCN(C(=O)OCC)CC2)ccc1OC ZINC000778198030 893231494 /nfs/dbraw/zinc/23/14/94/893231494.db2.gz JMASZAJBCJWHHN-QGZVFWFLSA-N 1 0 390.524 3.997 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c(C2CC2)c1 ZINC000933835871 893248325 /nfs/dbraw/zinc/24/83/25/893248325.db2.gz CFTQGAPGOOKVSH-UHFFFAOYSA-N 1 0 375.476 3.617 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455782938 893267704 /nfs/dbraw/zinc/26/77/04/893267704.db2.gz KNHRNOSRXDOUAY-GDBMZVCRSA-N 1 0 383.883 3.781 20 30 GHEDRO Cc1cc([NH+]2CCCCCC2)ccc1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000563008807 893274990 /nfs/dbraw/zinc/27/49/90/893274990.db2.gz CJMKDBSIPZCALS-UHFFFAOYSA-N 1 0 398.532 3.528 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000563013294 893276160 /nfs/dbraw/zinc/27/61/60/893276160.db2.gz HWCDOCUWLNPDPY-KITAHSCOSA-N 1 0 382.479 3.947 20 30 GHEDRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000918185396 893323656 /nfs/dbraw/zinc/32/36/56/893323656.db2.gz KURCAZNQDGITKA-UHFFFAOYSA-N 1 0 388.471 3.695 20 30 GHEDRO N#CCCC1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000563069449 893336275 /nfs/dbraw/zinc/33/62/75/893336275.db2.gz WHVPIKLOOPFTCB-KRWDZBQOSA-N 1 0 381.398 3.706 20 30 GHEDRO CCCCCCCCCN(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000747990453 893370462 /nfs/dbraw/zinc/37/04/62/893370462.db2.gz MAUHVFQSVJCEST-UHFFFAOYSA-N 1 0 380.621 3.937 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000876909682 893384555 /nfs/dbraw/zinc/38/45/55/893384555.db2.gz FIYDBIBASMYRNP-DOTOQJQBSA-N 1 0 376.863 3.739 20 30 GHEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000778215732 893388037 /nfs/dbraw/zinc/38/80/37/893388037.db2.gz FUXNMYZVMGYDIS-PXNSSMCTSA-N 1 0 386.540 3.772 20 30 GHEDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000778226552 893422558 /nfs/dbraw/zinc/42/25/58/893422558.db2.gz YELNEUVKQQURRA-ZDUSSCGKSA-N 1 0 381.423 3.506 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)cc1 ZINC001137118147 893555157 /nfs/dbraw/zinc/55/51/57/893555157.db2.gz NKXBXQNNMJMZNH-OAQYLSRUSA-N 1 0 384.520 3.634 20 30 GHEDRO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000536710527 893616847 /nfs/dbraw/zinc/61/68/47/893616847.db2.gz LINVDSBJQNCOBM-SFHVURJKSA-N 1 0 377.916 3.502 20 30 GHEDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000536724356 893662380 /nfs/dbraw/zinc/66/23/80/893662380.db2.gz HRWTZLVZMIPLAP-MSOLQXFVSA-N 1 0 379.504 3.670 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1O ZINC000877682807 893760353 /nfs/dbraw/zinc/76/03/53/893760353.db2.gz UDWBLXWGGCPUOW-KRWDZBQOSA-N 1 0 379.504 3.852 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000877807726 893817873 /nfs/dbraw/zinc/81/78/73/893817873.db2.gz GCWMDNRONNCUFN-FQEVSTJZSA-N 1 0 378.520 3.777 20 30 GHEDRO C[C@@H](NCC#CCN[C@@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459635893 893945180 /nfs/dbraw/zinc/94/51/80/893945180.db2.gz UTYHRZZHCKBOLI-OKILXGFUSA-N 1 0 386.590 3.582 20 30 GHEDRO FC(F)(F)[C@@H]1CC[N@H+](CCOCC(F)(F)C(F)(F)F)CC12CCOCC2 ZINC000459662071 894013220 /nfs/dbraw/zinc/01/32/20/894013220.db2.gz MZMKMOKRJAYKHQ-LLVKDONJSA-N 1 0 399.322 3.882 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000459662254 894017057 /nfs/dbraw/zinc/01/70/57/894017057.db2.gz SZVPFRHHASSGID-ZDUSSCGKSA-N 1 0 382.302 3.572 20 30 GHEDRO CC(=O)[C@](C#N)(CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000878150316 894054403 /nfs/dbraw/zinc/05/44/03/894054403.db2.gz IQJUEMDZLWDHHC-UKILVPOCSA-N 1 0 389.543 3.881 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1OC ZINC000459682942 894060482 /nfs/dbraw/zinc/06/04/82/894060482.db2.gz FJPMQVVDZTWBOH-PKOBYXMFSA-N 1 0 375.490 3.684 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000878171439 894070288 /nfs/dbraw/zinc/07/02/88/894070288.db2.gz LBEHTYVZIRDWLI-ZEQRLZLVSA-N 1 0 375.516 3.633 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000878271296 894145016 /nfs/dbraw/zinc/14/50/16/894145016.db2.gz DARAPQCTZSIYBV-RPWUZVMVSA-N 1 0 375.516 3.633 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000536969530 894148842 /nfs/dbraw/zinc/14/88/42/894148842.db2.gz NKSKMCZBGDPEHA-SFHVURJKSA-N 1 0 376.504 3.899 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000563782707 894187843 /nfs/dbraw/zinc/18/78/43/894187843.db2.gz ILMGGWDZBCJOBB-UWJYYQICSA-N 1 0 392.551 3.703 20 30 GHEDRO C[C@@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816010265 894367577 /nfs/dbraw/zinc/36/75/77/894367577.db2.gz CHYQZTIVAIRQJG-YLJYHZDGSA-N 1 0 377.488 3.692 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878563499 894387643 /nfs/dbraw/zinc/38/76/43/894387643.db2.gz UWWWLZQUUGALRI-PKTZIBPZSA-N 1 0 399.535 3.664 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(CC)cc1 ZINC000022797457 894406556 /nfs/dbraw/zinc/40/65/56/894406556.db2.gz FVJJKXKGLDWYNV-UHFFFAOYSA-O 1 0 375.464 3.919 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H]3CCC4(CCOCC4)CO3)CC2)c(F)c1 ZINC000878610196 894440029 /nfs/dbraw/zinc/44/00/29/894440029.db2.gz UVJGPEDCPQQEJR-IBGZPJMESA-N 1 0 388.483 3.516 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCCN(c2ccccc2F)CC1)c1ccccc1 ZINC000878611878 894441708 /nfs/dbraw/zinc/44/17/08/894441708.db2.gz VDIMQOGZOATSOH-HSZRJFAPSA-N 1 0 379.479 3.778 20 30 GHEDRO N#Cc1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c(F)c1Br ZINC001185479760 913897411 /nfs/dbraw/zinc/89/74/11/913897411.db2.gz XOZCJTOEIYBOPV-UHFFFAOYSA-N 1 0 396.304 3.907 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[NH+]2CCCCC2)cc1 ZINC001135642378 894969666 /nfs/dbraw/zinc/96/96/66/894969666.db2.gz JWINNIPLIJSPFB-OAQYLSRUSA-N 1 0 399.441 3.802 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC(=O)N(Cc3ccccc3C(F)(F)F)C1)CC2 ZINC000564558464 895080708 /nfs/dbraw/zinc/08/07/08/895080708.db2.gz KQYYLZLIQAGBPH-FXAWDEMLSA-N 1 0 399.416 3.955 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC(=O)N(Cc3ccccc3C(F)(F)F)C1)CC2 ZINC000564558479 895081268 /nfs/dbraw/zinc/08/12/68/895081268.db2.gz KQYYLZLIQAGBPH-YLJYHZDGSA-N 1 0 399.416 3.955 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000564670946 895169158 /nfs/dbraw/zinc/16/91/58/895169158.db2.gz WPIXNFOGNGUPAI-NZQKXSOJSA-N 1 0 389.499 3.595 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817280780 895433462 /nfs/dbraw/zinc/43/34/62/895433462.db2.gz CZYCQKWKPSUBLC-DZGCQCFKSA-N 1 0 388.393 3.888 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000880006897 895443857 /nfs/dbraw/zinc/44/38/57/895443857.db2.gz YSFNNIJPMIYVKS-QGZVFWFLSA-N 1 0 398.532 3.586 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CCc3c(CC#N)cccc3C2)c2ccccc21 ZINC000626130266 895627899 /nfs/dbraw/zinc/62/78/99/895627899.db2.gz OMVVFWPXEOWKHN-UHFFFAOYSA-N 1 0 382.467 3.862 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)/C=C/C(=O)c1ccc(C)cc1)Cc1ccccc1 ZINC001136080050 895991040 /nfs/dbraw/zinc/99/10/40/895991040.db2.gz BJWSIHZMOSKRGE-BQXQKYNTSA-N 1 0 378.516 3.803 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3Cc4cccc(O)c4C3)sc2C1 ZINC000565937896 895994340 /nfs/dbraw/zinc/99/43/40/895994340.db2.gz NSYTYGQRLOTSQY-UKRRQHHQSA-N 1 0 395.528 3.536 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C(F)(F)F)c1 ZINC000880930283 896008515 /nfs/dbraw/zinc/00/85/15/896008515.db2.gz SYGPVNRNKCGLCY-AEFFLSMTSA-N 1 0 394.441 3.679 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566187469 896161599 /nfs/dbraw/zinc/16/15/99/896161599.db2.gz SSXGDBFIULWCMG-LSDHHAIUSA-N 1 0 382.426 3.732 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccc(C#N)cc1 ZINC000881134322 896180897 /nfs/dbraw/zinc/18/08/97/896180897.db2.gz HYBJXJUXMPIZNI-VGSWGCGISA-N 1 0 389.503 3.725 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881134552 896183298 /nfs/dbraw/zinc/18/32/98/896183298.db2.gz LTIBLYQCPRDNSN-QFIPXVFZSA-N 1 0 389.503 3.507 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)Nc1cccc(CC#N)n1)c1cccc(C(F)(F)F)c1 ZINC000881142479 896193680 /nfs/dbraw/zinc/19/36/80/896193680.db2.gz GXFGADUILGOYOX-MRXNPFEDSA-N 1 0 391.397 3.591 20 30 GHEDRO C=CCc1cc(C[NH2+]CCC(=O)Nc2cccc(F)c2C)cc(OC)c1OC ZINC000818989353 896308214 /nfs/dbraw/zinc/30/82/14/896308214.db2.gz LYZJGVLHPMILFP-UHFFFAOYSA-N 1 0 386.467 3.998 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000819068807 896385511 /nfs/dbraw/zinc/38/55/11/896385511.db2.gz SALQDYWEKLQUKU-PKOBYXMFSA-N 1 0 389.293 3.953 20 30 GHEDRO CN1CC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000819195418 896466875 /nfs/dbraw/zinc/46/68/75/896466875.db2.gz CKUDVRDMHRWJGR-QMMLZNLJSA-N 1 0 387.886 3.667 20 30 GHEDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000566779052 896565229 /nfs/dbraw/zinc/56/52/29/896565229.db2.gz SHKYJHSQJOBRPJ-INIZCTEOSA-N 1 0 397.906 3.920 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(-c2ccncc2)n1 ZINC000289207720 914087127 /nfs/dbraw/zinc/08/71/27/914087127.db2.gz BVRIAMYHZRJFBW-UHFFFAOYSA-N 1 0 391.450 3.536 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000819511839 896802057 /nfs/dbraw/zinc/80/20/57/896802057.db2.gz KGYDTYBYZAMCJC-AWEZNQCLSA-N 1 0 388.002 3.781 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@H+](CC3=CSC(=C4SC=CS4)S3)C2)C1=O ZINC001276324060 914131573 /nfs/dbraw/zinc/13/15/73/914131573.db2.gz LJBVKUMOONXFLC-KRWDZBQOSA-N 1 0 394.612 3.943 20 30 GHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000567692250 897339614 /nfs/dbraw/zinc/33/96/14/897339614.db2.gz QZMPPGRBXBZEPE-HNAYVOBHSA-N 1 0 392.421 3.732 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NCc2ccon2)c1 ZINC000131206307 897364053 /nfs/dbraw/zinc/36/40/53/897364053.db2.gz ISHAERDKZSUZCU-UHFFFAOYSA-O 1 0 380.493 3.616 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000883219534 897380471 /nfs/dbraw/zinc/38/04/71/897380471.db2.gz VDQPNEQIWPMXKF-HOTGVXAUSA-N 1 0 391.455 3.712 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NCCSC)cc1 ZINC000131244783 897385057 /nfs/dbraw/zinc/38/50/57/897385057.db2.gz FPKCVTWBQXEGFP-UHFFFAOYSA-O 1 0 379.596 3.798 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NCc2ccon2)[n+]2ccccc2)c(C)c(C)c1C ZINC000131244651 897385370 /nfs/dbraw/zinc/38/53/70/897385370.db2.gz SXIJHUISUAWUIO-UHFFFAOYSA-O 1 0 394.520 3.924 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1)[C@@H]1CCCO1 ZINC000883227813 897387062 /nfs/dbraw/zinc/38/70/62/897387062.db2.gz YYRLMKNCUPBJPW-GOTSBHOMSA-N 1 0 385.552 3.713 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)ccc1OC ZINC000883256244 897408453 /nfs/dbraw/zinc/40/84/53/897408453.db2.gz RCPWHYDDUICHSI-LJQANCHMSA-N 1 0 375.509 3.716 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)c2)c1 ZINC000567906303 897480426 /nfs/dbraw/zinc/48/04/26/897480426.db2.gz XOYJFHQZLZCOOA-OAQYLSRUSA-N 1 0 385.471 3.614 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3CC4(CCOCC4)[C@@H]3c3ccccc3)o2)c1 ZINC000568365351 897783844 /nfs/dbraw/zinc/78/38/44/897783844.db2.gz SUIPBSSIVAQMTQ-NRFANRHFSA-N 1 0 386.455 3.962 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000568365119 897784086 /nfs/dbraw/zinc/78/40/86/897784086.db2.gz QZKYRGOZWGQMAJ-QHCPKHFHSA-N 1 0 375.472 3.857 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)CC2 ZINC000568451577 897848465 /nfs/dbraw/zinc/84/84/65/897848465.db2.gz GFFWKJADPOCUIO-FCHUYYIVSA-N 1 0 381.907 3.862 20 30 GHEDRO Cn1cc(C[N@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)cc1C#N ZINC000568685352 898033317 /nfs/dbraw/zinc/03/33/17/898033317.db2.gz WAIKABHAFZLHSN-QGZVFWFLSA-N 1 0 385.817 3.518 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104769715 898162295 /nfs/dbraw/zinc/16/22/95/898162295.db2.gz SPWXDVZYOBERQT-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000568873347 898180657 /nfs/dbraw/zinc/18/06/57/898180657.db2.gz UPRWVMPVFJNPHZ-BHIYHBOVSA-N 1 0 390.405 3.853 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000822224745 898258215 /nfs/dbraw/zinc/25/82/15/898258215.db2.gz YATSRDIGNQZUKZ-UHFFFAOYSA-N 1 0 391.515 3.791 20 30 GHEDRO C[C@@]1(CNC(=O)NCc2ccc(CC#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000569114744 898349431 /nfs/dbraw/zinc/34/94/31/898349431.db2.gz IQIMEBPBKFQOFZ-QHCPKHFHSA-N 1 0 376.504 3.607 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000569134169 898358618 /nfs/dbraw/zinc/35/86/18/898358618.db2.gz MMPWMGKBMBTYLI-HOCLYGCPSA-N 1 0 382.426 3.969 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000822639359 898523910 /nfs/dbraw/zinc/52/39/10/898523910.db2.gz SFPGXNVLGBTBCH-UHFFFAOYSA-N 1 0 394.515 3.583 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCN2Cc2ccc(OC)cc2)cc1 ZINC001136612080 898539342 /nfs/dbraw/zinc/53/93/42/898539342.db2.gz QKVZVAAUXRSWRY-JOCHJYFZSA-N 1 0 393.487 3.615 20 30 GHEDRO COc1cc2c(cc1NC(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)oc1ccccc12 ZINC000884047433 898639888 /nfs/dbraw/zinc/63/98/88/898639888.db2.gz UCEGKQLIHTWDIX-ABTIHDLSSA-N 1 0 375.428 3.672 20 30 GHEDRO N#CCOc1ccc(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000110609409 898730154 /nfs/dbraw/zinc/73/01/54/898730154.db2.gz XHVMANGGMMCLJF-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc3ccccc3nc1OC)C2 ZINC001137202189 898797531 /nfs/dbraw/zinc/79/75/31/898797531.db2.gz AHCGDCFSGTXQHZ-JTHBVZDNSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000112521894 898886333 /nfs/dbraw/zinc/88/63/33/898886333.db2.gz YWNHHLNONNGVAQ-HOTGVXAUSA-N 1 0 385.533 3.960 20 30 GHEDRO N#CCCC[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000569697405 898894903 /nfs/dbraw/zinc/89/49/03/898894903.db2.gz ASBXSVGCZCUZLG-GOSISDBHSA-N 1 0 377.897 3.512 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCN2CCc3sccc3C2)c(-c2ccccc2)n1 ZINC000113326518 898983781 /nfs/dbraw/zinc/98/37/81/898983781.db2.gz RWUKFAOPCYXYHK-UHFFFAOYSA-N 1 0 391.544 3.673 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)ccc1C#N ZINC000569861224 898990640 /nfs/dbraw/zinc/99/06/40/898990640.db2.gz PSZAITVPNJVQDL-RBBKRZOGSA-N 1 0 398.528 3.750 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[N@@H+](C)C[C@H]2C(C)C)c1C#N ZINC000331665525 899068151 /nfs/dbraw/zinc/06/81/51/899068151.db2.gz ZDJYEKDMHWUBHG-NRFANRHFSA-N 1 0 399.583 3.692 20 30 GHEDRO C#Cc1cccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043983853 899075342 /nfs/dbraw/zinc/07/53/42/899075342.db2.gz PTIYJLURJDYNQQ-HDICACEKSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CCCC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC001136738011 899079828 /nfs/dbraw/zinc/07/98/28/899079828.db2.gz XJYMWYOHMKCOEM-GOTSBHOMSA-N 1 0 383.580 3.753 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC001136759792 899178993 /nfs/dbraw/zinc/17/89/93/899178993.db2.gz NCIWDQRTLPJXTL-WIYYLYMNSA-N 1 0 385.552 3.978 20 30 GHEDRO N=C(Nc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2n1 ZINC001171047553 899414181 /nfs/dbraw/zinc/41/41/81/899414181.db2.gz AKZDXBTUBCLHLL-SFHVURJKSA-N 1 0 384.487 3.936 20 30 GHEDRO N=C(Nc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2n1 ZINC001171047551 899414738 /nfs/dbraw/zinc/41/47/38/899414738.db2.gz AKZDXBTUBCLHLL-GOSISDBHSA-N 1 0 384.487 3.936 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccnc(-c4ccco4)c3)CC2)c1 ZINC000824115099 899417632 /nfs/dbraw/zinc/41/76/32/899417632.db2.gz JFVLZZQNPXUSDI-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO CCCNc1ccc(C(F)(F)F)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884226651 899427362 /nfs/dbraw/zinc/42/73/62/899427362.db2.gz XXXKLJKFVFZFPE-FHBSJOOWSA-N 1 0 380.414 3.605 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)[C@@H]2C1 ZINC000824348695 899545419 /nfs/dbraw/zinc/54/54/19/899545419.db2.gz QKUGBKKMKFSNED-PKOBYXMFSA-N 1 0 380.517 3.522 20 30 GHEDRO C#C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC000824370921 899568835 /nfs/dbraw/zinc/56/88/35/899568835.db2.gz TXNFVYOVGSGTAS-BFUOFWGJSA-N 1 0 379.884 3.950 20 30 GHEDRO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000824597965 899711978 /nfs/dbraw/zinc/71/19/78/899711978.db2.gz YFCMPLOYGCAKQR-NRFANRHFSA-N 1 0 375.472 3.853 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884304791 899735145 /nfs/dbraw/zinc/73/51/45/899735145.db2.gz AVKAWHWBMWQQDZ-SBGAOGNYSA-N 1 0 389.499 3.621 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Sc3ccccc3)cc1)C2 ZINC000884318532 899780419 /nfs/dbraw/zinc/78/04/19/899780419.db2.gz YVWVHMLRDQIJJG-WUZYXKQASA-N 1 0 377.513 3.593 20 30 GHEDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000134236957 899798896 /nfs/dbraw/zinc/79/88/96/899798896.db2.gz WNPILLBEKJFKTN-LDJQZATESA-N 1 0 398.466 3.548 20 30 GHEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000332675466 899844470 /nfs/dbraw/zinc/84/44/70/899844470.db2.gz NZHIROVTCJKVIQ-CABCVRRESA-N 1 0 382.386 3.547 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000121085298 899948531 /nfs/dbraw/zinc/94/85/31/899948531.db2.gz OXSJWOZUXIUDEK-MRXNPFEDSA-N 1 0 396.466 3.580 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4c[nH]c5cccc(F)c45)C3)CC2=O)c1 ZINC001136982869 899955121 /nfs/dbraw/zinc/95/51/21/899955121.db2.gz GXPLMIHDPSCTQV-QHCPKHFHSA-N 1 0 388.446 3.808 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)ccc1OC ZINC000825265800 900060695 /nfs/dbraw/zinc/06/06/95/900060695.db2.gz FAAFZOUYMIQGBF-MRXNPFEDSA-N 1 0 386.423 3.592 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl)C2 ZINC000884436125 900078963 /nfs/dbraw/zinc/07/89/63/900078963.db2.gz WBZNACPJQPWWIQ-IDPGXWOASA-N 1 0 385.939 3.793 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2c2ccccc2)C1=O ZINC001137023732 900111781 /nfs/dbraw/zinc/11/17/81/900111781.db2.gz CJKABKLDVLPERX-NOZRDPDXSA-N 1 0 388.511 3.721 20 30 GHEDRO C=CCc1ccnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1C(OC)OC ZINC001171090009 900176722 /nfs/dbraw/zinc/17/67/22/900176722.db2.gz KHZHCLORXRGFMV-INIZCTEOSA-N 1 0 377.488 3.861 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000135263562 900210980 /nfs/dbraw/zinc/21/09/80/900210980.db2.gz UOFZWSXHXPWURN-UHFFFAOYSA-N 1 0 396.466 3.823 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3c(Cl)cccc3C#N)CC[C@@H]21 ZINC001143725345 900445407 /nfs/dbraw/zinc/44/54/07/900445407.db2.gz ZMCRMQYKMBMQRO-DXIQSLLYSA-N 1 0 397.954 3.782 20 30 GHEDRO COc1cc(C[N@H+](C[C@@H](O)CC2(C#N)CCC2)C2CC2)ccc1OC(F)F ZINC000885932800 900643800 /nfs/dbraw/zinc/64/38/00/900643800.db2.gz CHQKPYUTYUCEKN-INIZCTEOSA-N 1 0 380.435 3.706 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000573838721 900655997 /nfs/dbraw/zinc/65/59/97/900655997.db2.gz NNPOGFAVLHHHIP-KUHUBIRLSA-N 1 0 387.911 3.820 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573969226 900725877 /nfs/dbraw/zinc/72/58/77/900725877.db2.gz JBNKJIFBZGQUBK-DENIHFKCSA-N 1 0 391.515 3.744 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573969227 900726340 /nfs/dbraw/zinc/72/63/40/900726340.db2.gz JBNKJIFBZGQUBK-KNQAVFIVSA-N 1 0 391.515 3.744 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(CC)cc1 ZINC000044558140 900731101 /nfs/dbraw/zinc/73/11/01/900731101.db2.gz MQTTXOIJHBJPSR-UHFFFAOYSA-O 1 0 399.536 3.636 20 30 GHEDRO COCc1cccc(OCC2(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)CCC2)c1 ZINC000844367685 900779036 /nfs/dbraw/zinc/77/90/36/900779036.db2.gz UUTITZWLTQLEPX-HSZRJFAPSA-N 1 0 394.515 3.919 20 30 GHEDRO CC(C)CN(C(=O)c1ccc(COc2ccccc2C#N)o1)C1CC[NH+](C)CC1 ZINC000053233033 900782538 /nfs/dbraw/zinc/78/25/38/900782538.db2.gz AEPVVKOVUUTDNE-UHFFFAOYSA-N 1 0 395.503 3.923 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000574189155 900811393 /nfs/dbraw/zinc/81/13/93/900811393.db2.gz FXAMIAPDCJPWGV-IIBYNOLFSA-N 1 0 379.479 3.754 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000886192450 900876102 /nfs/dbraw/zinc/87/61/02/900876102.db2.gz WYVHCGKLLXMZNB-VDGAXYAQSA-N 1 0 377.479 3.523 20 30 GHEDRO C=CCn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000574488064 900902336 /nfs/dbraw/zinc/90/23/36/900902336.db2.gz KPLRNXLVJHUQCA-CEWLAPEOSA-N 1 0 395.551 3.630 20 30 GHEDRO N#Cc1c(NC(=O)C2CC[NH+](C3CC3)CC2)sc2c1-c1ccccc1OC2 ZINC000574539561 900921579 /nfs/dbraw/zinc/92/15/79/900921579.db2.gz OTPCKYRLFUYPMC-UHFFFAOYSA-N 1 0 379.485 3.992 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001144075907 901039286 /nfs/dbraw/zinc/03/92/86/901039286.db2.gz UYTPXKYCVMVCLQ-UXHICEINSA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290080567 914513605 /nfs/dbraw/zinc/51/36/05/914513605.db2.gz GYMPMQYPNARRKY-NRFANRHFSA-N 1 0 395.890 3.834 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)c1C#N ZINC000575809292 901326769 /nfs/dbraw/zinc/32/67/69/901326769.db2.gz NKKNXRSJRJSXFC-SIKLNZKXSA-N 1 0 386.540 3.561 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000886954789 901353478 /nfs/dbraw/zinc/35/34/78/901353478.db2.gz MIIVBPKNDVXDSX-JOCHJYFZSA-N 1 0 391.475 3.743 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1Cl ZINC000092010182 901465748 /nfs/dbraw/zinc/46/57/48/901465748.db2.gz QNVAJUXTOQWRBE-LPHOPBHVSA-N 1 0 375.900 3.584 20 30 GHEDRO C[C@@H](Cc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845007989 901643023 /nfs/dbraw/zinc/64/30/23/901643023.db2.gz ZPKMZZHVOXYQAQ-KRWDZBQOSA-N 1 0 379.479 3.657 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144386898 901976975 /nfs/dbraw/zinc/97/69/75/901976975.db2.gz HFRUIXCWVQTIJF-LJQANCHMSA-N 1 0 382.426 3.944 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000333292855 901979787 /nfs/dbraw/zinc/97/97/87/901979787.db2.gz LHJUVSYQVMANKT-MNLRITNHSA-N 1 0 381.520 3.771 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000333321759 902005824 /nfs/dbraw/zinc/00/58/24/902005824.db2.gz PMEWXFKJDMPSPX-QGZVFWFLSA-N 1 0 378.520 3.565 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000124254252 902044463 /nfs/dbraw/zinc/04/44/63/902044463.db2.gz PBKHJILMUNZULL-UTKZUKDTSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001171175454 902064935 /nfs/dbraw/zinc/06/49/35/902064935.db2.gz LLBDIHPUCXBLOV-QAPCUYQASA-N 1 0 393.478 3.971 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000576635612 902148279 /nfs/dbraw/zinc/14/82/79/902148279.db2.gz NUPPPADODPJXGO-LJQANCHMSA-N 1 0 382.552 3.787 20 30 GHEDRO CC(C)(C)NS(=O)(=O)c1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001171185355 902212361 /nfs/dbraw/zinc/21/23/61/902212361.db2.gz VUCLAQHXBDGMCO-UHFFFAOYSA-N 1 0 397.500 3.659 20 30 GHEDRO C=C[C@H](C)ONC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000845619019 902279886 /nfs/dbraw/zinc/27/98/86/902279886.db2.gz JFDGEUQTVSEDHI-AWEZNQCLSA-N 1 0 396.329 3.561 20 30 GHEDRO COC(=O)[C@H](C[NH3+])c1cn([C@@H](C)Cc2cccc(C#N)c2)c2ccc(OC)cc12 ZINC001171194977 902282294 /nfs/dbraw/zinc/28/22/94/902282294.db2.gz OAAOEYDFMJKMGQ-MGPUTAFESA-N 1 0 391.471 3.541 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC001171195126 902283956 /nfs/dbraw/zinc/28/39/56/902283956.db2.gz OZEPKSUQTDNRFR-VGOFRKELSA-N 1 0 383.923 3.806 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@H](C(F)(F)F)C1 ZINC000576846756 902299778 /nfs/dbraw/zinc/29/97/78/902299778.db2.gz OQIITMFGCZVOKE-KURKYZTESA-N 1 0 393.453 3.961 20 30 GHEDRO CSc1nc2ncnc(NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c2s1 ZINC000845762372 902374058 /nfs/dbraw/zinc/37/40/58/902374058.db2.gz YPXLSTDEMCKKIJ-UHFFFAOYSA-N 1 0 396.545 3.756 20 30 GHEDRO CC1(C)OCc2c1nc(Cl)nc2NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845774006 902379305 /nfs/dbraw/zinc/37/93/05/902379305.db2.gz RVNNTOMRASVRDM-UHFFFAOYSA-N 1 0 397.910 3.843 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC)c2ccccc2O3)cc1 ZINC001144573243 902405232 /nfs/dbraw/zinc/40/52/32/902405232.db2.gz FDTSSYLOFSIXIY-NRFANRHFSA-N 1 0 388.511 3.705 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846115256 902693887 /nfs/dbraw/zinc/69/38/87/902693887.db2.gz SWVRYYHLJHWSDV-NHCUHLMSSA-N 1 0 398.551 3.558 20 30 GHEDRO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@@H](C)Cc2cccc(C#N)c2)n1 ZINC001171212682 902701156 /nfs/dbraw/zinc/70/11/56/902701156.db2.gz PNLAYGPZLOVLSA-PVERMEFCSA-N 1 0 391.515 3.641 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001171213307 902709029 /nfs/dbraw/zinc/70/90/29/902709029.db2.gz YLSHXCHTKLXRIZ-DVECYGJZSA-N 1 0 388.515 3.541 20 30 GHEDRO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)Cc2cnn(CC3CC3)c21 ZINC001171215657 902750047 /nfs/dbraw/zinc/75/00/47/902750047.db2.gz CJDPJWANUKPJJO-VGSWGCGISA-N 1 0 378.520 3.732 20 30 GHEDRO CCN1CC[C@@]2(C[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001171217328 902756428 /nfs/dbraw/zinc/75/64/28/902756428.db2.gz OSJMXSWTOFZMHW-NIDLKEISSA-N 1 0 387.527 3.827 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc4scnc4c3)CC2)cc1 ZINC001144744440 902822813 /nfs/dbraw/zinc/82/28/13/902822813.db2.gz VIEQUBOZQLCHQJ-UHFFFAOYSA-N 1 0 391.500 3.954 20 30 GHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(C#N)c1 ZINC000129727149 902845887 /nfs/dbraw/zinc/84/58/87/902845887.db2.gz PESVEMIYUVDUPW-NRFANRHFSA-N 1 0 385.471 3.763 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)N(C)[C@H](C)c3cccc(C#N)c3)CCCC2)CC1 ZINC000577604843 902943148 /nfs/dbraw/zinc/94/31/48/902943148.db2.gz ZJWXGXFWJUYVCR-GOSISDBHSA-N 1 0 398.551 3.684 20 30 GHEDRO N#Cc1ccccc1N1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264243178 902951604 /nfs/dbraw/zinc/95/16/04/902951604.db2.gz LTEYVSVJWVDYBH-UHFFFAOYSA-N 1 0 388.515 3.507 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001186590420 914676083 /nfs/dbraw/zinc/67/60/83/914676083.db2.gz KZJYXFSWLUNSDE-GOSISDBHSA-N 1 0 397.544 3.809 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001171231013 903039949 /nfs/dbraw/zinc/03/99/49/903039949.db2.gz ZWKXRIFJCJLSMT-KRWDZBQOSA-N 1 0 381.907 3.991 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264468835 903114187 /nfs/dbraw/zinc/11/41/87/903114187.db2.gz MUVLTNAJTLKIPT-QZTJIDSGSA-N 1 0 386.565 3.580 20 30 GHEDRO C=CCOc1cc(OC)ccc1-c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000577779729 903180105 /nfs/dbraw/zinc/18/01/05/903180105.db2.gz CEJZDTLGLLRNJU-UHFFFAOYSA-N 1 0 395.459 3.917 20 30 GHEDRO COc1cccc(C[C@H]([NH3+])C(=O)Nc2cc(-c3ccc(F)cc3)sc2C#N)c1 ZINC001144932479 903180092 /nfs/dbraw/zinc/18/00/92/903180092.db2.gz BURRETDHIMAAPU-KRWDZBQOSA-N 1 0 395.459 3.943 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCc3ccc(Br)cc3)CC2)C1=O ZINC001275546199 914696492 /nfs/dbraw/zinc/69/64/92/914696492.db2.gz BYWRDSAKXBURNJ-FQEVSTJZSA-N 1 0 391.353 3.882 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171266045 903451020 /nfs/dbraw/zinc/45/10/20/903451020.db2.gz DIZLOKYFNUTAGP-GUDVDZBRSA-N 1 0 399.535 3.621 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccccc2)c1 ZINC000134218538 903481172 /nfs/dbraw/zinc/48/11/72/903481172.db2.gz QRXPXQGCAKIOKS-GOSISDBHSA-O 1 0 383.537 3.688 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC2)c1 ZINC000578057529 903482281 /nfs/dbraw/zinc/48/22/81/903482281.db2.gz HHQZKHGHHBCJNM-LJQANCHMSA-N 1 0 377.463 3.715 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3cccc(F)c3C#N)cc[nH+]2)CC1 ZINC001212836984 903494377 /nfs/dbraw/zinc/49/43/77/903494377.db2.gz ONHBPXKNNKTVMH-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3cc(F)cc(C#N)c3)cc[nH+]2)CC1 ZINC001212837044 903495742 /nfs/dbraw/zinc/49/57/42/903495742.db2.gz RCJZYYHFSBUQAT-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO N#CCc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001171276753 903523572 /nfs/dbraw/zinc/52/35/72/903523572.db2.gz HDKQVBRQRJEBGT-UHFFFAOYSA-N 1 0 375.432 3.631 20 30 GHEDRO CCOc1cc([N+](=O)[O-])ccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277529 903537272 /nfs/dbraw/zinc/53/72/72/903537272.db2.gz SSPLYNAHIBICGC-UHFFFAOYSA-N 1 0 380.448 3.964 20 30 GHEDRO N#CC1(Nc2cccc3c2CCC32OCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC001171282447 903581817 /nfs/dbraw/zinc/58/18/17/903581817.db2.gz NFZKDMICGXUXFO-UHFFFAOYSA-N 1 0 389.499 3.803 20 30 GHEDRO CN1Cc2cccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2NC1=O ZINC001171282565 903582786 /nfs/dbraw/zinc/58/27/86/903582786.db2.gz SPFXAKJDSXRXFP-UHFFFAOYSA-N 1 0 375.476 3.634 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@H](CCC#N)c1ccc(OC)cc1)Cc1ccc(F)cc1C ZINC000578192135 903601718 /nfs/dbraw/zinc/60/17/18/903601718.db2.gz DHBOIZLRKQEPEE-DENIHFKCSA-N 1 0 397.494 3.682 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(-c2ccncc2)n1 ZINC000578301259 903712760 /nfs/dbraw/zinc/71/27/60/903712760.db2.gz ZAQKBPHESTXAEX-IBGZPJMESA-N 1 0 377.423 3.611 20 30 GHEDRO C[C@H]1CN([C@@H](C[NH2+]Cc2ccc(C#N)cc2)c2c(F)cccc2Cl)CCO1 ZINC000048713541 904048221 /nfs/dbraw/zinc/04/82/21/904048221.db2.gz GRLAYMIPWBYOCS-YWZLYKJASA-N 1 0 387.886 3.902 20 30 GHEDRO C=CCOc1ccc(C(=O)N(c2cccc(C)c2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001148466833 904079337 /nfs/dbraw/zinc/07/93/37/904079337.db2.gz XWMLVDPVYXQHJM-ZJSXRUAMSA-N 1 0 392.499 3.728 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000578818746 904148006 /nfs/dbraw/zinc/14/80/06/904148006.db2.gz OBRCOKORPBOJPB-UXHICEINSA-N 1 0 398.482 3.591 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCc4c(F)cc(F)cc4C3)CC2)cc1 ZINC001171339897 904229500 /nfs/dbraw/zinc/22/95/00/904229500.db2.gz HEGZXGDZXYUTRJ-NRFANRHFSA-N 1 0 381.470 3.948 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)c1 ZINC000779105344 904230437 /nfs/dbraw/zinc/23/04/37/904230437.db2.gz WIEYXJYHNQGUML-OFNKIYASSA-N 1 0 377.488 3.951 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc4nc(C#N)sc4c3)cc2)CC1 ZINC001149005185 904264882 /nfs/dbraw/zinc/26/48/82/904264882.db2.gz RLQSMALAGLTXDC-UHFFFAOYSA-N 1 0 391.500 3.562 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)CCO2 ZINC001171375333 904401097 /nfs/dbraw/zinc/40/10/97/904401097.db2.gz ZEHHKWPGFOWWNF-SFGWALBWSA-N 1 0 377.475 3.896 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@H]4CCc5c(F)cccc5C4)C3)CC2=O)c1 ZINC001171433307 904618078 /nfs/dbraw/zinc/61/80/78/904618078.db2.gz LKMPTNLSJHBZSO-CYFREDJKSA-N 1 0 389.474 3.684 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000889742615 904743409 /nfs/dbraw/zinc/74/34/09/904743409.db2.gz WYKDFQKGHQVYHY-UHFFFAOYSA-N 1 0 386.499 3.872 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001171785834 905045595 /nfs/dbraw/zinc/04/55/95/905045595.db2.gz KVPUUXHEOXSXCX-AVRDEDQJSA-N 1 0 385.508 3.694 20 30 GHEDRO CO[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000189367968 905060850 /nfs/dbraw/zinc/06/08/50/905060850.db2.gz LEZVQVHWISUITO-YOEHRIQHSA-N 1 0 375.538 3.574 20 30 GHEDRO Cc1ccccc1-c1noc([C@H](C)O/[NH+]=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000174107193 905204077 /nfs/dbraw/zinc/20/40/77/905204077.db2.gz DSIBXDJBNBIAJT-BDFKGGEMSA-N 1 0 392.459 3.993 20 30 GHEDRO C=CCn1cnc2nc(N[C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)[nH]c(=O)c21 ZINC001171977733 905226308 /nfs/dbraw/zinc/22/63/08/905226308.db2.gz UDANRTAMJUXKQQ-QGZVFWFLSA-N 1 0 392.507 3.573 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CCC#N)CC2)CC12CCCCC2 ZINC001172056575 905258434 /nfs/dbraw/zinc/25/84/34/905258434.db2.gz GYZHSZLXGGSSDT-IBGZPJMESA-N 1 0 390.572 3.620 20 30 GHEDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(C)o1 ZINC000174438914 905271158 /nfs/dbraw/zinc/27/11/58/905271158.db2.gz NSQYHCHHQSRIGD-JOCHJYFZSA-N 1 0 378.476 3.671 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000801576138 921146634 /nfs/dbraw/zinc/14/66/34/921146634.db2.gz SXAWJLFSDQVIIA-SJLPKXTDSA-N 1 0 395.528 3.860 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001172306517 905460947 /nfs/dbraw/zinc/46/09/47/905460947.db2.gz XGNSZWANPSCVNL-GCJKJVERSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC001172308087 905465254 /nfs/dbraw/zinc/46/52/54/905465254.db2.gz LEWRZBOTRFSROR-XXBNENTESA-N 1 0 387.527 3.827 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)[C@H](C)[NH2+][C@H](C)Cc3ccc(C#N)cc3)ccc12 ZINC001172296919 905481918 /nfs/dbraw/zinc/48/19/18/905481918.db2.gz KOMWRSBHAUBINF-CVEARBPZSA-N 1 0 389.455 3.521 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001172353697 905524291 /nfs/dbraw/zinc/52/42/91/905524291.db2.gz AOJFERWMXNIQFU-REWPJTCUSA-N 1 0 393.616 3.965 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001172356847 905526548 /nfs/dbraw/zinc/52/65/48/905526548.db2.gz YTMVPIYCXCXNAI-PLACYPQZSA-N 1 0 390.572 3.521 20 30 GHEDRO CCOCC[C@@H](C)NC(=[NH2+])c1nn(Cc2ccc(OC)cc2)c2ccccc21 ZINC001172420963 905537009 /nfs/dbraw/zinc/53/70/09/905537009.db2.gz NMXSDDZRCFHYIE-MRXNPFEDSA-N 1 0 380.492 3.614 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C#N)c1 ZINC000175445857 905565816 /nfs/dbraw/zinc/56/58/16/905565816.db2.gz DRTBYQOYKUTSIT-QFIPXVFZSA-N 1 0 376.504 3.612 20 30 GHEDRO CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001172451647 905570133 /nfs/dbraw/zinc/57/01/33/905570133.db2.gz SEKOGHKTULYKNN-OFNKIYASSA-N 1 0 385.552 3.681 20 30 GHEDRO CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001172501542 905599936 /nfs/dbraw/zinc/59/99/36/905599936.db2.gz IMUPOQBLADOHMV-WOJBJXKFSA-N 1 0 392.588 3.704 20 30 GHEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001172512077 905605506 /nfs/dbraw/zinc/60/55/06/905605506.db2.gz YLZMISHUSQJEOJ-ONTIZHBOSA-N 1 0 382.589 3.902 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCOc2ccc(C#N)cc2)C(C)(C)C1 ZINC000801584772 921166156 /nfs/dbraw/zinc/16/61/56/921166156.db2.gz HJPQTQPBHIPGDK-LJQANCHMSA-N 1 0 387.524 3.952 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3cccs3)o2)cc1 ZINC000175815550 905673550 /nfs/dbraw/zinc/67/35/50/905673550.db2.gz BIEWMODSZKSRLT-DLBZAZTESA-N 1 0 380.473 3.758 20 30 GHEDRO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000627685655 905700777 /nfs/dbraw/zinc/70/07/77/905700777.db2.gz AWGWSYOCXDRLDC-UHFFFAOYSA-N 1 0 389.565 3.532 20 30 GHEDRO COC(=O)[C@H]1CCC[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001172621468 905727752 /nfs/dbraw/zinc/72/77/52/905727752.db2.gz AKYBTUVYQGSMPI-HOCLYGCPSA-N 1 0 376.884 3.787 20 30 GHEDRO COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001172621469 905728202 /nfs/dbraw/zinc/72/82/02/905728202.db2.gz AKYBTUVYQGSMPI-ZBFHGGJFSA-N 1 0 376.884 3.787 20 30 GHEDRO [NH2+]=C(N[C@@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001172664816 905749725 /nfs/dbraw/zinc/74/97/25/905749725.db2.gz YPDFSKWFNFCPPV-QGZVFWFLSA-N 1 0 375.394 3.602 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 ZINC000365811214 921180112 /nfs/dbraw/zinc/18/01/12/921180112.db2.gz BSXGLUJQDRAVGM-HSZRJFAPSA-N 1 0 390.487 3.550 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@H](C)Cc1ccc(F)cc1Cl)CC2 ZINC001172867599 905882396 /nfs/dbraw/zinc/88/23/96/905882396.db2.gz OMBSIOFZSTWIOD-CQSZACIVSA-N 1 0 377.891 3.905 20 30 GHEDRO CCN(CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1cccc(C)c1 ZINC001172968258 906029836 /nfs/dbraw/zinc/02/98/36/906029836.db2.gz PUGDXQDWIIYCDH-ICSRJNTNSA-N 1 0 386.540 3.703 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2c(C[NH3+])nc3ccc(Cl)cc32)C[C@H]1C#N ZINC001172971588 906035090 /nfs/dbraw/zinc/03/50/90/906035090.db2.gz QUFLFQYIPOJBCO-KGLIPLIRSA-N 1 0 389.887 3.613 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C)(C)c2cc(Cl)ccn2)C[C@H]1C#N ZINC001172980670 906047794 /nfs/dbraw/zinc/04/77/94/906047794.db2.gz ZZJLZEQLLARYLJ-CABCVRRESA-N 1 0 378.904 3.851 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C[C@H]1C#N ZINC001172982862 906050372 /nfs/dbraw/zinc/05/03/72/906050372.db2.gz GWNAXQOOLBUSJC-GLJUWKHASA-N 1 0 377.435 3.833 20 30 GHEDRO C[N@H+](Cc1cccc2cccnc21)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986200 906051827 /nfs/dbraw/zinc/05/18/27/906051827.db2.gz UXNWYQKKIFIXJP-OALUTQOASA-N 1 0 380.492 3.958 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1OC ZINC000628326474 906051951 /nfs/dbraw/zinc/05/19/51/906051951.db2.gz ICZKQWWPVQBIME-IBGZPJMESA-N 1 0 392.927 3.650 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C2 ZINC001172958651 906065998 /nfs/dbraw/zinc/06/59/98/906065998.db2.gz MMYYKIDKECLUKJ-CNNODRBYSA-N 1 0 396.572 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)C[C@H]1C#N ZINC001172991923 906101637 /nfs/dbraw/zinc/10/16/37/906101637.db2.gz NUPKJMMBWDGAJZ-QHAWAJNXSA-N 1 0 399.535 3.959 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(C)ccc1OC ZINC000190603465 906169987 /nfs/dbraw/zinc/16/99/87/906169987.db2.gz KXTOLZBBDXLSMR-LEWJYISDSA-N 1 0 377.488 3.717 20 30 GHEDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633449 906187015 /nfs/dbraw/zinc/18/70/15/906187015.db2.gz ZIQFCZUXJBIULL-HTAPYJJXSA-N 1 0 377.488 3.797 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21 ZINC000177919538 906244259 /nfs/dbraw/zinc/24/42/59/906244259.db2.gz QVUYEOLXJUELSM-YYDVJCTNSA-N 1 0 390.531 3.544 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2CC ZINC001173228483 906311161 /nfs/dbraw/zinc/31/11/61/906311161.db2.gz YDHSFDRIQSTBFB-XJABCFGWSA-N 1 0 385.508 3.947 20 30 GHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1ccc(C#N)cc1 ZINC000178333726 906326732 /nfs/dbraw/zinc/32/67/32/906326732.db2.gz URDPIEQRTDXNDZ-JOCHJYFZSA-N 1 0 399.498 3.691 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(F)cc3C(F)(F)F)C2=O)cc1 ZINC000190838841 906347611 /nfs/dbraw/zinc/34/76/11/906347611.db2.gz PQDZLBNDARFGNZ-GOSISDBHSA-N 1 0 391.368 3.607 20 30 GHEDRO C=CCOC1CCC([NH2+][C@@H]2COC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001173311115 906364897 /nfs/dbraw/zinc/36/48/97/906364897.db2.gz DWIOREXLNOCMAF-XBMUEBEBSA-N 1 0 394.556 3.648 20 30 GHEDRO C=CCOC1CCC([N@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)CC1 ZINC001173327332 906373811 /nfs/dbraw/zinc/37/38/11/906373811.db2.gz LUFWKFYHEZYWNT-UHFFFAOYSA-N 1 0 385.556 3.769 20 30 GHEDRO C=CCOC1CCC([N@H+](CCCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173325908 906373992 /nfs/dbraw/zinc/37/39/92/906373992.db2.gz SHUOWMLNHUHHPS-IOJLRTSASA-N 1 0 396.572 3.848 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CC1 ZINC001173314375 906387188 /nfs/dbraw/zinc/38/71/88/906387188.db2.gz PHUXTSIRXALMJA-GMNCBBECSA-N 1 0 397.556 3.732 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000179018098 906416938 /nfs/dbraw/zinc/41/69/38/906416938.db2.gz DOEYKPCTXGHVOY-INIZCTEOSA-N 1 0 393.491 3.699 20 30 GHEDRO CCCC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000190919239 906430805 /nfs/dbraw/zinc/43/08/05/906430805.db2.gz LAMYCKRMSWYIJP-QFIPXVFZSA-N 1 0 393.535 3.784 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3Br)CC2)cc1 ZINC001173424145 906460304 /nfs/dbraw/zinc/46/03/04/906460304.db2.gz TVXOQJLMLYVVJS-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCSc4ccccc4C3)CC2)cc1 ZINC001173434134 906470477 /nfs/dbraw/zinc/47/04/77/906470477.db2.gz DUTPVOASVCCBHG-UHFFFAOYSA-N 1 0 377.513 3.771 20 30 GHEDRO Cc1nc(Cn2c(=O)ccc3c2CC[N@@H+](C2CCC(C)(C#N)CC2)CC3)cs1 ZINC001173594523 906546804 /nfs/dbraw/zinc/54/68/04/906546804.db2.gz HAFKLPPQEYDTIO-UHFFFAOYSA-N 1 0 396.560 3.535 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC3(C[C@@H]3C(=O)OCC)CC1)CC2 ZINC001173610132 906564384 /nfs/dbraw/zinc/56/43/84/906564384.db2.gz FGSXTOMZBFYNHD-IMLZRQKTSA-N 1 0 388.552 3.532 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCC3(C[C@@H]3C(=O)OCC)CC1)C2 ZINC001173611807 906566314 /nfs/dbraw/zinc/56/63/14/906566314.db2.gz LSYPNNGHHXCDAW-IMLZRQKTSA-N 1 0 388.552 3.532 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)CC2 ZINC001173621996 906569747 /nfs/dbraw/zinc/56/97/47/906569747.db2.gz HLLDYOOFIPZJCV-XLLHFJCQSA-N 1 0 382.504 3.913 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@@H](CC(=O)OCC)C1)[C@@H]2CC ZINC001173637333 906588299 /nfs/dbraw/zinc/58/82/99/906588299.db2.gz AXFWIQSLLHURJJ-MOXWOTFGSA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](CC(=O)OCC)C1)[C@H]2CC ZINC001173639125 906589507 /nfs/dbraw/zinc/58/95/07/906589507.db2.gz AXFWIQSLLHURJJ-IWQHBPENSA-N 1 0 376.541 3.530 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001173729081 906695664 /nfs/dbraw/zinc/69/56/64/906695664.db2.gz HZRHGUVVGDBFND-UWJYYQICSA-N 1 0 378.472 3.819 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1 ZINC000180177042 906706867 /nfs/dbraw/zinc/70/68/67/906706867.db2.gz WXXFUWLZGLRFCY-OTZFSBHDSA-N 1 0 382.291 3.807 20 30 GHEDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351459 906753978 /nfs/dbraw/zinc/75/39/78/906753978.db2.gz ALBVZLJTJGIVAF-YCRPNKLZSA-N 1 0 378.451 3.700 20 30 GHEDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351426 906754226 /nfs/dbraw/zinc/75/42/26/906754226.db2.gz ALBVZLJTJGIVAF-BTYIYWSLSA-N 1 0 378.451 3.700 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000191234545 906780220 /nfs/dbraw/zinc/78/02/20/906780220.db2.gz GEFFKKPSAVMWQM-SFHVURJKSA-N 1 0 378.394 3.753 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629583298 906878476 /nfs/dbraw/zinc/87/84/76/906878476.db2.gz YGIFIHOKIBMIAW-GUYCJALGSA-N 1 0 387.471 3.505 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)Cc2ccccc2CC#N)c2ccccc2)CC1 ZINC000777366694 906887257 /nfs/dbraw/zinc/88/72/57/906887257.db2.gz GGEGYSPVFZYCSC-HSZRJFAPSA-N 1 0 375.516 3.885 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000191428115 906988979 /nfs/dbraw/zinc/98/89/79/906988979.db2.gz JZIARTNBFLQGGC-UHFFFAOYSA-N 1 0 397.523 3.719 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000181455271 907004938 /nfs/dbraw/zinc/00/49/38/907004938.db2.gz RMKJHRNPQCWUBQ-UHFFFAOYSA-N 1 0 385.515 3.541 20 30 GHEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N(C)C)cc1OC ZINC000181918108 907100548 /nfs/dbraw/zinc/10/05/48/907100548.db2.gz SXVAQBDPFUTVEY-UZLBHIALSA-N 1 0 383.492 3.560 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc2)CC1 ZINC000182102643 907135246 /nfs/dbraw/zinc/13/52/46/907135246.db2.gz QDDFHMXEPBIOFB-GOSISDBHSA-N 1 0 392.503 3.760 20 30 GHEDRO CC[C@@H](CO)[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CCC(C(C)(C)C)CC1 ZINC001174875529 907268067 /nfs/dbraw/zinc/26/80/67/907268067.db2.gz XLGIYEXZPUVKBX-ORFBVSJDSA-N 1 0 399.579 3.852 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cccnc2)c1C#N ZINC000182884523 907281901 /nfs/dbraw/zinc/28/19/01/907281901.db2.gz XAGIPDSMWQOIBF-KRWDZBQOSA-N 1 0 387.487 3.709 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000192087741 907401196 /nfs/dbraw/zinc/40/11/96/907401196.db2.gz VQOOIZYEJGKFJI-KRWDZBQOSA-N 1 0 398.304 3.546 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)/C(=C/c2ccc(O)c(OC)c2)c2ccccc2)CC1 ZINC000185506755 907782892 /nfs/dbraw/zinc/78/28/92/907782892.db2.gz CCGZKBZGSALMCB-LTGZKZEYSA-N 1 0 392.499 3.708 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC001176410626 908104474 /nfs/dbraw/zinc/10/44/74/908104474.db2.gz BLKSAFZNNKRYFN-CTNGQTDRSA-N 1 0 383.536 3.769 20 30 GHEDRO C#CC[N@@H+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCCc2ccccc21 ZINC001176453788 908116334 /nfs/dbraw/zinc/11/63/34/908116334.db2.gz XYSARZQFLFZLQU-FPOVZHCZSA-N 1 0 384.520 3.635 20 30 GHEDRO C=CC[C@@H](C(=O)OC)[NH+]1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001177003426 908357957 /nfs/dbraw/zinc/35/79/57/908357957.db2.gz YMVNAZYYYQWRPX-IRXDYDNUSA-N 1 0 380.529 3.511 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177210827 908452257 /nfs/dbraw/zinc/45/22/57/908452257.db2.gz YSSZEKONIQLJOS-UHFFFAOYSA-N 1 0 396.922 3.889 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000773631726 908487887 /nfs/dbraw/zinc/48/78/87/908487887.db2.gz ZUETYPSUZLMXRM-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000190623805 908509785 /nfs/dbraw/zinc/50/97/85/908509785.db2.gz XSQIZQAKRNLZDE-KDOFPFPSSA-N 1 0 385.414 3.611 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000192034211 908710461 /nfs/dbraw/zinc/71/04/61/908710461.db2.gz QLPPDQRMIMMWQJ-OCBCSQNSSA-N 1 0 387.867 3.868 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000192083010 908718137 /nfs/dbraw/zinc/71/81/37/908718137.db2.gz RUSUEBGXTOHHSR-FUHWJXTLSA-N 1 0 391.830 3.619 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192139892 908728828 /nfs/dbraw/zinc/72/88/28/908728828.db2.gz DDUCHEQIJRQCKK-WMZOPIPTSA-N 1 0 391.443 3.573 20 30 GHEDRO O=C(C#Cc1cccnc1)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001177777253 908732025 /nfs/dbraw/zinc/73/20/25/908732025.db2.gz OKFDUGRRYHLHOE-VWLOTQADSA-N 1 0 395.506 3.736 20 30 GHEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000779801851 908757892 /nfs/dbraw/zinc/75/78/92/908757892.db2.gz ZMTLEXDPLPPOJR-LBPRGKRZSA-N 1 0 377.275 3.844 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001177810680 908766129 /nfs/dbraw/zinc/76/61/29/908766129.db2.gz ODUSPSMUKPPWAC-HXUWFJFHSA-N 1 0 384.907 3.812 20 30 GHEDRO C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3cccnc3Br)C2)C1=O ZINC001276022541 921451842 /nfs/dbraw/zinc/45/18/42/921451842.db2.gz KGIOKULZBZZQEP-HXUWFJFHSA-N 1 0 398.304 3.520 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccccc1OCC#N ZINC000195346567 909000787 /nfs/dbraw/zinc/00/07/87/909000787.db2.gz BDCPNEYNZFNUMC-UHFFFAOYSA-N 1 0 381.501 3.699 20 30 GHEDRO Cc1ncc(C#N)cc1NC(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001178589182 909109582 /nfs/dbraw/zinc/10/95/82/909109582.db2.gz CIKYWURZZOGQAA-UHFFFAOYSA-N 1 0 382.467 3.922 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000266737744 909281672 /nfs/dbraw/zinc/28/16/72/909281672.db2.gz MJKLYBJXVDEWMT-YSGRDPCXSA-N 1 0 387.549 3.766 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2nsc3ccccc23)c(-c2ccncc2)n1 ZINC001179248845 909440715 /nfs/dbraw/zinc/44/07/15/909440715.db2.gz YSKHPCPNKNTKSP-UHFFFAOYSA-N 1 0 388.500 3.801 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1C#N ZINC001179592304 909597291 /nfs/dbraw/zinc/59/72/91/909597291.db2.gz CNOLRFVHWBFOGT-RTBURBONSA-N 1 0 389.421 3.719 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CCc2ccnn2-c2ccccc2)c1 ZINC001179616045 909609901 /nfs/dbraw/zinc/60/99/01/909609901.db2.gz MBFYHXWFPKLHPK-UHFFFAOYSA-N 1 0 381.277 3.839 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267927955 909697364 /nfs/dbraw/zinc/69/73/64/909697364.db2.gz DUOMYCHXUYNQRZ-KBXCAEBGSA-N 1 0 378.567 3.640 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000795329217 909878236 /nfs/dbraw/zinc/87/82/36/909878236.db2.gz LRBUVZUPWYGAJF-AZUAARDMSA-N 1 0 377.488 3.564 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269583055 910309254 /nfs/dbraw/zinc/30/92/54/910309254.db2.gz BVSNNONSFLRJSL-CQSZACIVSA-N 1 0 383.883 3.954 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001181051485 910504196 /nfs/dbraw/zinc/50/41/96/910504196.db2.gz GEMGORVIPMDDMD-IBGZPJMESA-N 1 0 395.469 3.688 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001181205397 910613602 /nfs/dbraw/zinc/61/36/02/910613602.db2.gz CUFUGPHGGOUHRX-UHFFFAOYSA-N 1 0 383.536 3.877 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1C ZINC000795489832 910677364 /nfs/dbraw/zinc/67/73/64/910677364.db2.gz ZOYRFANCDPCYJV-VGSWGCGISA-N 1 0 397.544 3.904 20 30 GHEDRO CCCCN(CC#N)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F ZINC001181343439 910698366 /nfs/dbraw/zinc/69/83/66/910698366.db2.gz XBCWOEQJNJDYME-ZWKOTPCHSA-N 1 0 377.479 3.931 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)NCCc1nc(C)c[nH]1 ZINC001181357971 910723149 /nfs/dbraw/zinc/72/31/49/910723149.db2.gz QQUQLCBFCRHFIW-UHFFFAOYSA-N 1 0 378.561 3.756 20 30 GHEDRO C#CCOc1cccc(Cl)c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001181373441 910733435 /nfs/dbraw/zinc/73/34/35/910733435.db2.gz OVJYXGAFZOCRMI-BGYRXZFFSA-N 1 0 380.919 3.916 20 30 GHEDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000271172740 910803462 /nfs/dbraw/zinc/80/34/62/910803462.db2.gz DIMWGZZRUSCGLQ-LJQANCHMSA-N 1 0 387.524 3.506 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@H+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000801913065 921618389 /nfs/dbraw/zinc/61/83/89/921618389.db2.gz OFOPDXTYNWMMCG-LJQANCHMSA-N 1 0 399.535 3.575 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC1CC[NH+](CC(C)(C)O)CC1 ZINC001182271829 911380673 /nfs/dbraw/zinc/38/06/73/911380673.db2.gz KBXPNXFIHQDVPH-UHFFFAOYSA-N 1 0 383.330 3.661 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000283459103 911516045 /nfs/dbraw/zinc/51/60/45/911516045.db2.gz JCCXDBUHUXYSGO-MOPGFXCFSA-N 1 0 380.540 3.617 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000283482591 911527099 /nfs/dbraw/zinc/52/70/99/911527099.db2.gz XFEDXXWJRSEORY-FZKQIMNGSA-N 1 0 375.266 3.736 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000801956056 921682310 /nfs/dbraw/zinc/68/23/10/921682310.db2.gz UFSWTGXYWJSVBP-PZJWPPBQSA-N 1 0 389.421 3.931 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC2(C)CC2)c1 ZINC000283881984 911682327 /nfs/dbraw/zinc/68/23/27/911682327.db2.gz CSFIZLRHISWUOX-UHFFFAOYSA-O 1 0 391.463 3.965 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CCCOc3ccc(C#N)cc3)CCN2C2CC2)c1 ZINC000801959469 921688418 /nfs/dbraw/zinc/68/84/18/921688418.db2.gz QYJKQEBJESNRIK-BJKOFHAPSA-N 1 0 391.515 3.903 20 30 GHEDRO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000284180443 911780681 /nfs/dbraw/zinc/78/06/81/911780681.db2.gz YHSGILJFYYEJMV-UHFFFAOYSA-N 1 0 383.471 3.895 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC001182864215 912088370 /nfs/dbraw/zinc/08/83/70/912088370.db2.gz BNWQCSXSHIRADI-UHFFFAOYSA-N 1 0 383.517 3.604 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000285191474 912202378 /nfs/dbraw/zinc/20/23/78/912202378.db2.gz SBQXAJZWXSSYOW-UHFFFAOYSA-N 1 0 398.894 3.536 20 30 GHEDRO C[C@@H]1[C@H](CC(=O)Nc2[nH]cnc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186933439 914881462 /nfs/dbraw/zinc/88/14/62/914881462.db2.gz CIPSVPSMVKDDBR-VQIMIIECSA-N 1 0 385.471 3.720 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000303870969 915229402 /nfs/dbraw/zinc/22/94/02/915229402.db2.gz BMPFMLFMVUCBEQ-QGZVFWFLSA-N 1 0 377.872 3.598 20 30 GHEDRO CCNC(=O)c1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000303885693 915298191 /nfs/dbraw/zinc/29/81/91/915298191.db2.gz JYAFTXOLEMUCNT-GFCCVEGCSA-N 1 0 393.318 3.909 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCc2cn(-c3ccccc3)nc2C)cc1OC ZINC000303891650 915299408 /nfs/dbraw/zinc/29/94/08/915299408.db2.gz QVZBSKQVIWKJAS-UHFFFAOYSA-N 1 0 393.491 3.557 20 30 GHEDRO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCc2ccccc2C1 ZINC000303895164 915300940 /nfs/dbraw/zinc/30/09/40/915300940.db2.gz TUGFNXLXQUEZIK-CQSZACIVSA-N 1 0 392.425 3.759 20 30 GHEDRO CCNC(=O)COc1cccc(CNC(=[NH2+])Nc2ccc([C@H](C)CC)cc2)c1 ZINC000303896651 915301895 /nfs/dbraw/zinc/30/18/95/915301895.db2.gz USBZCSKRKLVNPL-MRXNPFEDSA-N 1 0 382.508 3.642 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000303897773 915302140 /nfs/dbraw/zinc/30/21/40/915302140.db2.gz VCRWOEXAUITODL-UHFFFAOYSA-N 1 0 396.422 3.957 20 30 GHEDRO CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)c1 ZINC000303899898 915304304 /nfs/dbraw/zinc/30/43/04/915304304.db2.gz RVLPKJUTMBPMHT-MRXNPFEDSA-N 1 0 382.508 3.929 20 30 GHEDRO CCN(CC)c1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cn1 ZINC000303903416 915305759 /nfs/dbraw/zinc/30/57/59/915305759.db2.gz UKROJQSOPSOVDQ-UHFFFAOYSA-N 1 0 381.402 3.753 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303969043 915343268 /nfs/dbraw/zinc/34/32/68/915343268.db2.gz BISVDJRTUIDXKU-OAHLLOKOSA-N 1 0 376.957 3.683 20 30 GHEDRO N#Cc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000291775073 915359373 /nfs/dbraw/zinc/35/93/73/915359373.db2.gz ODUUUVNOWRFMKK-QHCPKHFHSA-N 1 0 399.498 3.588 20 30 GHEDRO CN1[C@@H](C(=O)Nc2ccc(C#N)c3ncccc23)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187631400 915399105 /nfs/dbraw/zinc/39/91/05/915399105.db2.gz NDJIPWMKJTYBGV-WNOPAQSVSA-N 1 0 398.466 3.889 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)NC2CCC2)cc1 ZINC000292222910 915568132 /nfs/dbraw/zinc/56/81/32/915568132.db2.gz AEBDHULXXSBBAK-UHFFFAOYSA-O 1 0 397.520 3.736 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc2c1CCCC2 ZINC000304658913 915588750 /nfs/dbraw/zinc/58/87/50/915588750.db2.gz JERBEWXYXLXNCA-UHFFFAOYSA-N 1 0 396.510 3.592 20 30 GHEDRO CC[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)Oc1ccccc1Cl ZINC000304672533 915591712 /nfs/dbraw/zinc/59/17/12/915591712.db2.gz CIOMQYQDRVXRMU-CQSZACIVSA-N 1 0 377.872 3.941 20 30 GHEDRO [NH2+]=C(NCCOc1ccc(F)c(F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304761290 915699018 /nfs/dbraw/zinc/69/90/18/915699018.db2.gz UFNHFFBFXKKWOA-UHFFFAOYSA-N 1 0 375.297 3.669 20 30 GHEDRO CCc1cccc2c(CCNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)c[nH]c21 ZINC000304761554 915699072 /nfs/dbraw/zinc/69/90/72/915699072.db2.gz UODPIMZYUHFXDO-UHFFFAOYSA-N 1 0 378.476 3.861 20 30 GHEDRO CCOc1cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)ccc1OC ZINC000304761223 915699382 /nfs/dbraw/zinc/69/93/82/915699382.db2.gz UBQVEZYAAXMRCF-UHFFFAOYSA-N 1 0 383.370 3.919 20 30 GHEDRO COc1ccccc1O[C@H](C)CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304805935 915720668 /nfs/dbraw/zinc/72/06/68/915720668.db2.gz RRKYYYOSVALKQJ-GFCCVEGCSA-N 1 0 383.370 3.788 20 30 GHEDRO CCCN(CCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)C(=O)OC(C)(C)C ZINC000305254799 916033000 /nfs/dbraw/zinc/03/30/00/916033000.db2.gz KJFRDZOHPIXJDO-UHFFFAOYSA-N 1 0 384.908 3.722 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)c2cccc(CC#N)c2)cc1 ZINC001188675535 916101871 /nfs/dbraw/zinc/10/18/71/916101871.db2.gz IBQFRQAGKOOFPC-JOCHJYFZSA-N 1 0 391.515 3.888 20 30 GHEDRO COc1ccc(C#N)c(C(=O)N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001189094432 916399653 /nfs/dbraw/zinc/39/96/53/916399653.db2.gz FEDLTUFTCUZYKT-IYARVYRRSA-N 1 0 381.451 3.618 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCc1ccccc1Br ZINC001275757722 916946303 /nfs/dbraw/zinc/94/63/03/916946303.db2.gz VLMMFSFHVUBPQR-LJQANCHMSA-N 1 0 377.326 3.635 20 30 GHEDRO N#C[C@]1(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CCCC2 ZINC000295292527 917254275 /nfs/dbraw/zinc/25/42/75/917254275.db2.gz JJGGBOCLFZIOIB-DEOSSOPVSA-N 1 0 377.532 3.975 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000775394995 917387812 /nfs/dbraw/zinc/38/78/12/917387812.db2.gz RREKRHCRIBPSJT-RBUKOAKNSA-N 1 0 384.863 3.683 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)c1ccccc1 ZINC000775398291 917442579 /nfs/dbraw/zinc/44/25/79/917442579.db2.gz FSKNFWREJCKDGP-YLJYHZDGSA-N 1 0 380.488 3.625 20 30 GHEDRO C=CCC1(S(=O)(=O)N2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC001190798382 917571627 /nfs/dbraw/zinc/57/16/27/917571627.db2.gz QBNPHTTVXKXWRL-UHFFFAOYSA-N 1 0 382.957 3.675 20 30 GHEDRO CCCC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H](C)c1ccccc1 ZINC001191164567 917795106 /nfs/dbraw/zinc/79/51/06/917795106.db2.gz GNUKAELKEGGHOF-IRLDBZIGSA-N 1 0 384.568 3.542 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000296071274 917819778 /nfs/dbraw/zinc/81/97/78/917819778.db2.gz GPFRKVURCOTDTF-IBGZPJMESA-N 1 0 377.488 3.641 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC001191174903 917831012 /nfs/dbraw/zinc/83/10/12/917831012.db2.gz QXLQHSWWEKSWJC-LJQANCHMSA-N 1 0 378.447 3.731 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(F)c(F)c1 ZINC000652180619 917831305 /nfs/dbraw/zinc/83/13/05/917831305.db2.gz ZYIIOPGEZHKNKJ-FVCZOJIISA-N 1 0 393.478 3.510 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001191375136 917980472 /nfs/dbraw/zinc/98/04/72/917980472.db2.gz NTJVHSHHCYYZMC-PXNSSMCTSA-N 1 0 399.535 3.622 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)c(OC)c1 ZINC000653868025 918561582 /nfs/dbraw/zinc/56/15/82/918561582.db2.gz MRUNAVIOMWQJHP-MAUKXSAKSA-N 1 0 383.479 3.967 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NC3CC[NH+](C4CCC4)CC3)cc2)ccn1 ZINC000297256186 919187596 /nfs/dbraw/zinc/18/75/96/919187596.db2.gz CETUHTQLAOXZNB-UHFFFAOYSA-N 1 0 391.475 3.884 20 30 GHEDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000114400882 919390417 /nfs/dbraw/zinc/39/04/17/919390417.db2.gz LDEZIRGUBPMUDG-LJQANCHMSA-N 1 0 379.529 3.874 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000114747499 919414423 /nfs/dbraw/zinc/41/44/23/919414423.db2.gz FIXBPMTZIBKIFK-OXQOHEQNSA-N 1 0 393.487 3.810 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)c2)cc1 ZINC000115373540 919450085 /nfs/dbraw/zinc/45/00/85/919450085.db2.gz TWJLJUASEZMVNQ-NRFANRHFSA-N 1 0 389.499 3.884 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](C/C(Br)=C/c3ccccc3)C2)C1=O ZINC001276375800 919647057 /nfs/dbraw/zinc/64/70/57/919647057.db2.gz XXJFYUOYHMELQF-JKALPCAWSA-N 1 0 389.337 3.923 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(C)ccc3Br)CC2)C1=O ZINC001275927974 919810815 /nfs/dbraw/zinc/81/08/15/919810815.db2.gz ZMCVIGUVLVCACO-FQEVSTJZSA-N 1 0 389.337 3.595 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)c(Br)c1)CC2 ZINC001275964867 920326719 /nfs/dbraw/zinc/32/67/19/920326719.db2.gz VKCJAFHNNWVORA-INIZCTEOSA-N 1 0 377.326 3.662 20 30 GHEDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1=O ZINC001275980061 920690043 /nfs/dbraw/zinc/69/00/43/920690043.db2.gz OAGSEUCITCKTQQ-AUUYWEPGSA-N 1 0 390.325 3.544 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC000901146914 920869248 /nfs/dbraw/zinc/86/92/48/920869248.db2.gz MMVCJSKSAOSLNU-SFHVURJKSA-N 1 0 394.441 3.717 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC001275990978 920929483 /nfs/dbraw/zinc/92/94/83/920929483.db2.gz CVNQVSGNIOOPFV-UHFFFAOYSA-N 1 0 377.891 3.987 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)NCC(C)(C)CCC#N)CC[N@@H+]2C2CC2)c1 ZINC000367587805 922216870 /nfs/dbraw/zinc/21/68/70/922216870.db2.gz KAFXKCDKBKITJH-WOJBJXKFSA-N 1 0 384.524 3.602 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(c4cccc(F)c4)CC3)CC2)cc1 ZINC000367601792 922224346 /nfs/dbraw/zinc/22/43/46/922224346.db2.gz PIRYFSWKPDDKHW-UHFFFAOYSA-N 1 0 378.495 3.925 20 30 GHEDRO N#CC[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000369213318 923208998 /nfs/dbraw/zinc/20/89/98/923208998.db2.gz FVOIFCOFQGSUIV-GMAHTHKFSA-N 1 0 375.516 3.755 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157858 923911809 /nfs/dbraw/zinc/91/18/09/923911809.db2.gz AVBVFGFZKKNXJB-OXJNMPFZSA-N 1 0 396.491 3.982 20 30 GHEDRO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000370533873 924152505 /nfs/dbraw/zinc/15/25/05/924152505.db2.gz PWYKTNIMLNESGX-HSZRJFAPSA-N 1 0 384.520 3.727 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)cc1 ZINC000371422645 924574937 /nfs/dbraw/zinc/57/49/37/924574937.db2.gz NFWBTEKNZIUVQU-OPAMFIHVSA-N 1 0 375.472 3.925 20 30 GHEDRO CCC(CC)n1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000371541620 924649786 /nfs/dbraw/zinc/64/97/86/924649786.db2.gz CXVGNYJOUIMPIY-UHFFFAOYSA-N 1 0 393.535 3.841 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)s1 ZINC000371552811 924662198 /nfs/dbraw/zinc/66/21/98/924662198.db2.gz JWDHWNLVBLMQKS-HNNXBMFYSA-N 1 0 383.521 3.851 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1OCC ZINC000678269045 924699248 /nfs/dbraw/zinc/69/92/48/924699248.db2.gz IZCABAMGKQWNGA-DOTOQJQBSA-N 1 0 395.341 3.596 20 30 GHEDRO N#C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC12CCCC2 ZINC000827096488 924737503 /nfs/dbraw/zinc/73/75/03/924737503.db2.gz WOHRHYYDCMNHDM-DYESRHJHSA-N 1 0 387.911 3.600 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000409612556 924809712 /nfs/dbraw/zinc/80/97/12/924809712.db2.gz MLKIHKHAZHBLDO-UHFFFAOYSA-N 1 0 383.561 3.865 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000678798688 924927554 /nfs/dbraw/zinc/92/75/54/924927554.db2.gz JQDDGCMPVVXUCF-RBUKOAKNSA-N 1 0 396.453 3.940 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000409733794 924929933 /nfs/dbraw/zinc/92/99/33/924929933.db2.gz SFRDJXYXAUZIBC-UHFFFAOYSA-N 1 0 384.446 3.547 20 30 GHEDRO Cc1cc(NC(=O)c2cccc(C#N)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372084993 925135016 /nfs/dbraw/zinc/13/50/16/925135016.db2.gz ADCIUFJQRYMAIC-OAQYLSRUSA-N 1 0 385.471 3.763 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(O)cc1Cl)CC2 ZINC001276073415 925233948 /nfs/dbraw/zinc/23/39/48/925233948.db2.gz BOFGUMHMMUZCHF-UHFFFAOYSA-N 1 0 375.900 3.554 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1ccccc1C#N ZINC000410076468 925294975 /nfs/dbraw/zinc/29/49/75/925294975.db2.gz ZSJQPFGSNMBWEY-JOCHJYFZSA-N 1 0 391.515 3.526 20 30 GHEDRO CN(C(=O)c1ccc(Br)cc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410570708 925740179 /nfs/dbraw/zinc/74/01/79/925740179.db2.gz DQXYKQMSWFQLJD-SFHVURJKSA-N 1 0 398.304 3.667 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1OC ZINC000011951574 925816147 /nfs/dbraw/zinc/81/61/47/925816147.db2.gz ISJIJDRYFFWCQR-UHFFFAOYSA-N 1 0 395.503 3.654 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000827750200 925945756 /nfs/dbraw/zinc/94/57/56/925945756.db2.gz AYLXMQOCUYKOLM-JTHBVZDNSA-N 1 0 391.515 3.863 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000682172806 926032257 /nfs/dbraw/zinc/03/22/57/926032257.db2.gz ZMZVIRFXFRBOEG-UHFFFAOYSA-N 1 0 390.487 3.794 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)c1C#N ZINC000133341721 926206399 /nfs/dbraw/zinc/20/63/99/926206399.db2.gz HBUXNJWVQHXLOH-NSHDSACASA-N 1 0 394.306 3.557 20 30 GHEDRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411399806 926365886 /nfs/dbraw/zinc/36/58/86/926365886.db2.gz MLHLJKAWSNOQDI-HNNXBMFYSA-N 1 0 399.564 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](CCOc2ccc(C#N)cc2)C2CC2)CC1 ZINC000725800462 926443913 /nfs/dbraw/zinc/44/39/13/926443913.db2.gz LMUDLVPGLKIIIR-UHFFFAOYSA-N 1 0 385.508 3.801 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1)C(C)C ZINC000726054122 926540209 /nfs/dbraw/zinc/54/02/09/926540209.db2.gz LKCBMYVWQBVUMD-HTAPYJJXSA-N 1 0 387.524 3.517 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000411630676 926583521 /nfs/dbraw/zinc/58/35/21/926583521.db2.gz JNMCUVOPKQLKNP-UHFFFAOYSA-N 1 0 381.451 3.707 20 30 GHEDRO CC(C)CC[NH+](CCC(C)C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000726584286 926744290 /nfs/dbraw/zinc/74/42/90/926744290.db2.gz DZBJFMIQLMRSEV-UHFFFAOYSA-N 1 0 384.524 3.674 20 30 GHEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000374215354 926904654 /nfs/dbraw/zinc/90/46/54/926904654.db2.gz DOQZDRVQPPIZSX-CTNGQTDRSA-N 1 0 375.520 3.942 20 30 GHEDRO C=CC[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000749202440 926999801 /nfs/dbraw/zinc/99/98/01/926999801.db2.gz OQPVMCNRPVKTPM-UWJYYQICSA-N 1 0 379.508 3.619 20 30 GHEDRO C=CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000749570302 927193157 /nfs/dbraw/zinc/19/31/57/927193157.db2.gz DHUMTBQCILPCGC-BWAGFHJFSA-N 1 0 378.520 3.909 20 30 GHEDRO C=CCc1cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc(OC)c1OC ZINC000750860757 927902571 /nfs/dbraw/zinc/90/25/71/927902571.db2.gz OCLMCYGHNFRMOI-UHFFFAOYSA-N 1 0 388.552 3.920 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H]1CCCC(C)(C)C1=O ZINC000412986490 928074540 /nfs/dbraw/zinc/07/45/40/928074540.db2.gz HYCXWGABMZVDJE-INIZCTEOSA-N 1 0 376.570 3.732 20 30 GHEDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000751469462 928206560 /nfs/dbraw/zinc/20/65/60/928206560.db2.gz ZMJXQDXQCMLJOU-LJQANCHMSA-N 1 0 382.533 3.703 20 30 GHEDRO N#Cc1ccc([C@@H](O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000751581099 928260058 /nfs/dbraw/zinc/26/00/58/928260058.db2.gz ORJXXCQPRWHCEV-VWLOTQADSA-N 1 0 395.506 3.979 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000466978686 928560804 /nfs/dbraw/zinc/56/08/04/928560804.db2.gz HTTOSSFFUDBVDT-LPHOPBHVSA-N 1 0 379.508 3.899 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1C#N ZINC000752295131 928737274 /nfs/dbraw/zinc/73/72/74/928737274.db2.gz PYMVPQQGNFZYBU-SFHVURJKSA-N 1 0 399.495 3.609 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1cccc(C#N)c1 ZINC000467448870 929082568 /nfs/dbraw/zinc/08/25/68/929082568.db2.gz ZBBPYJBRUCFMKZ-QGZVFWFLSA-N 1 0 375.472 3.545 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000544575203 929300942 /nfs/dbraw/zinc/30/09/42/929300942.db2.gz YYQCNHIZBCUAKK-VXKWHMMOSA-N 1 0 398.528 3.620 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)CC1 ZINC000753538295 929397749 /nfs/dbraw/zinc/39/77/49/929397749.db2.gz DMJJZSFLYQJQAP-UHFFFAOYSA-N 1 0 384.524 3.953 20 30 GHEDRO CCC1(C/N=C/c2c(O)c(C)ncc2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000753885582 929576066 /nfs/dbraw/zinc/57/60/66/929576066.db2.gz QUNFFNOFMVJCSY-ZVHZXABRSA-N 1 0 381.520 3.699 20 30 GHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cccc21 ZINC000469339408 929800072 /nfs/dbraw/zinc/80/00/72/929800072.db2.gz KEJCKWMMTPCQPC-LJQANCHMSA-N 1 0 379.460 3.740 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000469371132 929827940 /nfs/dbraw/zinc/82/79/40/929827940.db2.gz JSFDMZKETDBENH-SVMVAKDDSA-N 1 0 377.488 3.819 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000469617437 930032049 /nfs/dbraw/zinc/03/20/49/930032049.db2.gz LLXLOOQJLOGAMT-SFHVURJKSA-N 1 0 393.535 3.672 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000546305495 930041588 /nfs/dbraw/zinc/04/15/88/930041588.db2.gz QXCRAZDMAZNBSF-IIBYNOLFSA-N 1 0 395.478 3.670 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c(OC)c1 ZINC000469992241 930300252 /nfs/dbraw/zinc/30/02/52/930300252.db2.gz LSFIUBVRBGHFSP-YJBOKZPZSA-N 1 0 387.442 3.826 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@@H](C(C)C)C2)c1=S ZINC000780498527 930534001 /nfs/dbraw/zinc/53/40/01/930534001.db2.gz NPTDLBIGDONDAW-LJQANCHMSA-N 1 0 391.629 3.954 20 30 GHEDRO COc1cc(-c2noc(/C=C/c3cccc(C#N)c3)n2)ccc1OCC[NH+](C)C ZINC000546989596 930591599 /nfs/dbraw/zinc/59/15/99/930591599.db2.gz FUBLASHDBQZUJZ-JXMROGBWSA-N 1 0 390.443 3.728 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000470673711 930810717 /nfs/dbraw/zinc/81/07/17/930810717.db2.gz QGIFSRRCZPBFEB-NRFANRHFSA-N 1 0 394.515 3.997 20 30 GHEDRO Cc1ccccc1[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CCC(C)CC1 ZINC000782768866 931330582 /nfs/dbraw/zinc/33/05/82/931330582.db2.gz AZHZHINMGHDSJX-DUMJBDNMSA-N 1 0 381.520 3.978 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000924680711 931472974 /nfs/dbraw/zinc/47/29/74/931472974.db2.gz HZIAJQOYBAKSDA-GUDVDZBRSA-N 1 0 390.572 3.522 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000557520611 931516896 /nfs/dbraw/zinc/51/68/96/931516896.db2.gz CPGGEWWRYHNDLY-PBHICJAKSA-N 1 0 397.357 3.795 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000783328470 931521123 /nfs/dbraw/zinc/52/11/23/931521123.db2.gz CEBDPYJEOPFWBH-ILEACXBISA-N 1 0 375.563 3.612 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000783532893 931573824 /nfs/dbraw/zinc/57/38/24/931573824.db2.gz UXBGDWGYLWIOBU-JTQLQIEISA-N 1 0 389.361 3.976 20 30 GHEDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000925123088 931660651 /nfs/dbraw/zinc/66/06/51/931660651.db2.gz JWBLRIKXCBELFC-WBVHZDCISA-N 1 0 391.512 3.531 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000925243363 931715058 /nfs/dbraw/zinc/71/50/58/931715058.db2.gz KGZFHLRKBHTRQK-KZNAEPCWSA-N 1 0 390.572 3.521 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000557989533 931790176 /nfs/dbraw/zinc/79/01/76/931790176.db2.gz FWZJQSPCFPYPDZ-LJQANCHMSA-N 1 0 392.503 3.993 20 30 GHEDRO CCN(CC[NH+]1CCCCCC1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000558131706 931851827 /nfs/dbraw/zinc/85/18/27/931851827.db2.gz NRJSPSCBISJZGS-UHFFFAOYSA-N 1 0 380.536 3.936 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCOc3ccccc3C#N)C[C@H]21 ZINC000784512542 931920155 /nfs/dbraw/zinc/92/01/55/931920155.db2.gz QUAQCWCQAFADQE-IPMKNSEASA-N 1 0 385.508 3.562 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796705661 932036739 /nfs/dbraw/zinc/03/67/39/932036739.db2.gz DYTQKINXTYGEJD-NRFANRHFSA-N 1 0 398.551 3.906 20 30 GHEDRO COC[C@@]1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC000797114150 932188280 /nfs/dbraw/zinc/18/82/80/932188280.db2.gz OXRRXBZSGYFZNE-VFNWGFHPSA-N 1 0 391.487 3.764 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000797415991 932275920 /nfs/dbraw/zinc/27/59/20/932275920.db2.gz ILEMHSKFEHGEME-JLHGSKIFSA-N 1 0 375.509 3.678 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000797415989 932276121 /nfs/dbraw/zinc/27/61/21/932276121.db2.gz ILEMHSKFEHGEME-HOIFWPIMSA-N 1 0 375.509 3.678 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1ccnc(F)c1 ZINC000926789908 932307549 /nfs/dbraw/zinc/30/75/49/932307549.db2.gz XEMJUXJZTSDTIC-OAHLLOKOSA-N 1 0 376.476 3.630 20 30 GHEDRO C[C@@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000798428558 932643969 /nfs/dbraw/zinc/64/39/69/932643969.db2.gz GXCYBHOHHKADBV-JPYJTQIMSA-N 1 0 376.504 3.831 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)Nc2ccc(OC)c(OCC[NH+](CC)CC)c2)C1 ZINC000626341528 932727727 /nfs/dbraw/zinc/72/77/27/932727727.db2.gz FQJAQRVOILSCGV-KRWDZBQOSA-N 1 0 375.513 3.846 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000559626771 932762342 /nfs/dbraw/zinc/76/23/42/932762342.db2.gz XYNGGCNJHAYQRD-UHFFFAOYSA-N 1 0 378.501 3.680 20 30 GHEDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C2)CC1 ZINC000799029403 932856752 /nfs/dbraw/zinc/85/67/52/932856752.db2.gz CLWUTUCTQAPZHW-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000799121429 932882093 /nfs/dbraw/zinc/88/20/93/932882093.db2.gz ZAPCXHKPPUHPMR-GOSISDBHSA-N 1 0 379.545 3.808 20 30 GHEDRO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000799164253 932895205 /nfs/dbraw/zinc/89/52/05/932895205.db2.gz QBTCWIPYNUURLP-SFHVURJKSA-N 1 0 379.545 3.808 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000560258762 933166483 /nfs/dbraw/zinc/16/64/83/933166483.db2.gz CVBCLPSUEMAUJY-NQIIRXRSSA-N 1 0 399.420 3.548 20 30 GHEDRO CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001115868032 933226567 /nfs/dbraw/zinc/22/65/67/933226567.db2.gz LMPYFYATTOZMMH-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000930017061 933776195 /nfs/dbraw/zinc/77/61/95/933776195.db2.gz VAFWGMZXNIEIPM-UHFFFAOYSA-N 1 0 379.545 3.712 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000930088491 933826188 /nfs/dbraw/zinc/82/61/88/933826188.db2.gz XSXRRVSHZBNDSE-VQIMIIECSA-N 1 0 392.459 3.527 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)c1 ZINC001118960444 934292597 /nfs/dbraw/zinc/29/25/97/934292597.db2.gz WZFXGGFMQSOSAZ-QGZVFWFLSA-N 1 0 386.858 3.548 20 30 GHEDRO Cc1c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cnn1CCC#N ZINC001119516831 934363788 /nfs/dbraw/zinc/36/37/88/934363788.db2.gz IQZYVPHMJAQXJG-ROUUACIJSA-N 1 0 393.535 3.513 20 30 GHEDRO C=CCn1c(N2CCC([NH+](CC)CC)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001121547240 934693030 /nfs/dbraw/zinc/69/30/30/934693030.db2.gz RYYOAKOHULSSSR-JOCHJYFZSA-N 1 0 382.556 3.500 20 30 GHEDRO C=CCn1c([C@@H](CC)[C@H](O)c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121553498 934695622 /nfs/dbraw/zinc/69/56/22/934695622.db2.gz OIMZHGAHJGGDME-LEWJYISDSA-N 1 0 397.567 3.658 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000562108904 934701559 /nfs/dbraw/zinc/70/15/59/934701559.db2.gz NBDKCQBGDALDMJ-UHFFFAOYSA-N 1 0 377.448 3.519 20 30 GHEDRO C=CCn1c(N2CCC(C[N@@H+](C)CCCC)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001121709441 934744581 /nfs/dbraw/zinc/74/45/81/934744581.db2.gz TUCNURMJNFFUEI-HSZRJFAPSA-N 1 0 399.583 3.748 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001121731382 934749727 /nfs/dbraw/zinc/74/97/27/934749727.db2.gz UBJUWCNVDCYKHZ-UYAOXDASSA-N 1 0 387.572 3.652 20 30 GHEDRO CCn1c(CCCC#N)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001121758603 934757195 /nfs/dbraw/zinc/75/71/95/934757195.db2.gz DSASXAQGNKDCGR-UHFFFAOYSA-N 1 0 392.551 3.637 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 ZINC000932050357 934810465 /nfs/dbraw/zinc/81/04/65/934810465.db2.gz AFQNUVKZNPRYMM-UHFFFAOYSA-N 1 0 389.499 3.645 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2nccs2)C(=S)Nc2ccccc2C#N)c1 ZINC000778061651 934818426 /nfs/dbraw/zinc/81/84/26/934818426.db2.gz BUOXJUSAGAZCQF-UHFFFAOYSA-O 1 0 379.490 3.934 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)CCC(C)C ZINC001122466628 934876578 /nfs/dbraw/zinc/87/65/78/934876578.db2.gz RGBMBQPPBOWPAK-IBGZPJMESA-N 1 0 375.561 3.652 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ncccc3c2)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001122484720 934880967 /nfs/dbraw/zinc/88/09/67/934880967.db2.gz BOTSFSJOQNACSB-TZIWHRDSSA-N 1 0 388.519 3.600 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001122490802 934882009 /nfs/dbraw/zinc/88/20/09/934882009.db2.gz UWGFAVISCMVVJW-OAQYLSRUSA-N 1 0 395.551 3.631 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001122513142 934886964 /nfs/dbraw/zinc/88/69/64/934886964.db2.gz DPNOOQWHPLDYDM-GJYPPUQNSA-N 1 0 397.489 3.832 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1[C@@]1(C)CCC=CO1 ZINC001122539481 934893713 /nfs/dbraw/zinc/89/37/13/934893713.db2.gz MXCCQPFUJQNCHN-JOCHJYFZSA-N 1 0 385.556 3.848 20 30 GHEDRO C=CCOCCCC(=O)O[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001123226567 935123350 /nfs/dbraw/zinc/12/33/50/935123350.db2.gz VZEMHASJWNPYSI-NRFANRHFSA-N 1 0 387.520 3.726 20 30 GHEDRO CC(C)[C@H](C#N)N1CC[NH+](CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000828098234 935577903 /nfs/dbraw/zinc/57/79/03/935577903.db2.gz JIKOHQDCWMMFJO-FQEVSTJZSA-N 1 0 392.588 3.579 20 30 GHEDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(C#N)cc1Br)CC2 ZINC001137636766 935651646 /nfs/dbraw/zinc/65/16/46/935651646.db2.gz MASGWWAPJOWQSN-QGZVFWFLSA-N 1 0 393.325 3.586 20 30 GHEDRO C=CCCCC[NH+]1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000829524335 935822177 /nfs/dbraw/zinc/82/21/77/935822177.db2.gz IYAYEKNTSRBPIG-UHFFFAOYSA-N 1 0 389.544 3.565 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C12CCCC2 ZINC000829629609 935836013 /nfs/dbraw/zinc/83/60/13/935836013.db2.gz IFEABGWBOUJFPA-FFZOFVMBSA-N 1 0 390.487 3.551 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000829739076 935854471 /nfs/dbraw/zinc/85/44/71/935854471.db2.gz HKIPOGVCGVRROI-ZDUSSCGKSA-N 1 0 386.402 3.540 20 30 GHEDRO CN(C)C(=O)NC1CC[NH+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CC1 ZINC001137904049 935857589 /nfs/dbraw/zinc/85/75/89/935857589.db2.gz JTQDKYVLSAWORY-UHFFFAOYSA-N 1 0 391.519 3.562 20 30 GHEDRO C#CCNC(=O)CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000829858598 935873253 /nfs/dbraw/zinc/87/32/53/935873253.db2.gz AMZIZRRNKNBZQW-UHFFFAOYSA-N 1 0 376.287 3.530 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000830401179 935940801 /nfs/dbraw/zinc/94/08/01/935940801.db2.gz GPWVLOXXAYNHEE-KNQAVFIVSA-N 1 0 377.463 3.824 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001625932347 1014458193 /nfs/dbraw/zinc/45/81/93/1014458193.db2.gz HVDSNZKNDXSXJU-XMSQKQJNSA-N 1 0 393.572 3.569 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC001625950169 1014521119 /nfs/dbraw/zinc/52/11/19/1014521119.db2.gz FLAUMHUMSQVUPN-SFHVURJKSA-N 1 0 377.488 3.694 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](C#N)CCc3ccccc3)cc2)CC1 ZINC001625982292 1014628176 /nfs/dbraw/zinc/62/81/76/1014628176.db2.gz HOWCEBVGINDTAN-HXUWFJFHSA-N 1 0 376.504 3.540 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000545294367 1015749366 /nfs/dbraw/zinc/74/93/66/1015749366.db2.gz GHEJEGAWJDFKLA-HXUWFJFHSA-N 1 0 378.476 3.834 20 30 GHEDRO CC[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000545397722 1015840329 /nfs/dbraw/zinc/84/03/29/1015840329.db2.gz KKECTJIIBVBVQP-XLIONFOSSA-N 1 0 394.519 3.692 20 30 GHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000468890252 1016172018 /nfs/dbraw/zinc/17/20/18/1016172018.db2.gz IOLMODNHGRMYCT-LXIYXOSZSA-N 1 0 396.329 3.551 20 30 GHEDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925223266 1017050897 /nfs/dbraw/zinc/05/08/97/1017050897.db2.gz BNPNHBXJBHLTGJ-QZTJIDSGSA-N 1 0 386.540 3.922 20 30 GHEDRO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)cc1 ZINC001221296027 1032365302 /nfs/dbraw/zinc/36/53/02/1032365302.db2.gz WOGNZDFHMGLQQF-ZQMYSKGWSA-N 1 0 375.516 3.937 20 30 GHEDRO C#CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3sc4scc(C)c4c3C)C2)C1=O ZINC001277200512 1032379457 /nfs/dbraw/zinc/37/94/57/1032379457.db2.gz GHESCRKCSLMZOB-HXUWFJFHSA-N 1 0 386.542 3.554 20 30 GHEDRO N#Cc1cc2ccc(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2oc1=O ZINC001227383430 1032397950 /nfs/dbraw/zinc/39/79/50/1032397950.db2.gz QDPFMOMQYPXOGO-YUXAGFNASA-N 1 0 386.451 3.954 20 30 GHEDRO C#C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC001221495650 1032437132 /nfs/dbraw/zinc/43/71/32/1032437132.db2.gz OXAZLEQLPRJAFU-OAQYLSRUSA-N 1 0 379.479 3.636 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cnc(C(F)(F)F)cc3Cl)C2)C1=O ZINC001277227949 1032497752 /nfs/dbraw/zinc/49/77/52/1032497752.db2.gz HDTJBEHEFCEUQC-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO N#CC1(NC(=O)c2cc3[nH]ccc3c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001155407439 1032532989 /nfs/dbraw/zinc/53/29/89/1032532989.db2.gz FQHQXVNIKWHNMO-UHFFFAOYSA-N 1 0 376.435 3.595 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(F)c3F)C[C@@H]2c2ccccc2)C1=O ZINC001204195953 1032650344 /nfs/dbraw/zinc/65/03/44/1032650344.db2.gz YSFXYVLTKLONSJ-XXBNENTESA-N 1 0 382.454 3.969 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1OC ZINC000925398101 1017078458 /nfs/dbraw/zinc/07/84/58/1017078458.db2.gz UGKWJTNACHWPND-VAMGGRTRSA-N 1 0 382.508 3.611 20 30 GHEDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925693898 1017137661 /nfs/dbraw/zinc/13/76/61/1017137661.db2.gz SKAXLYPUIBCUKQ-KZNAEPCWSA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000558278906 1017156404 /nfs/dbraw/zinc/15/64/04/1017156404.db2.gz RBAMALNYROCOTR-XJKSGUPXSA-N 1 0 396.413 3.590 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000928659472 1017542850 /nfs/dbraw/zinc/54/28/50/1017542850.db2.gz NRZFPGNEIHXILL-UHFFFAOYSA-N 1 0 385.467 3.836 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(SCc3csc(C)n3)cc2)CC1 ZINC000928659346 1017542895 /nfs/dbraw/zinc/54/28/95/1017542895.db2.gz MJVRTHCUSFNCJD-UHFFFAOYSA-N 1 0 385.558 3.571 20 30 GHEDRO C[C@@H](NC(=O)N1CCc2c(CC#N)cccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001227963345 1032718297 /nfs/dbraw/zinc/71/82/97/1032718297.db2.gz VLMRPCMFQQEUIW-VGSWGCGISA-N 1 0 376.504 3.512 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)cc1 ZINC001204299832 1032740522 /nfs/dbraw/zinc/74/05/22/1032740522.db2.gz HCPHIHDBAUXCDO-JOCHJYFZSA-N 1 0 376.500 3.890 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)cc1 ZINC001204300765 1032742777 /nfs/dbraw/zinc/74/27/77/1032742777.db2.gz RRFXPQOBQMMOKC-UGKGYDQZSA-N 1 0 384.451 3.598 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000932235739 1018153033 /nfs/dbraw/zinc/15/30/33/1018153033.db2.gz UZEZURVXJANZCY-DOTOQJQBSA-N 1 0 382.430 3.535 20 30 GHEDRO CC(C)C[N@H+](Cc1ccccn1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932446116 1018313330 /nfs/dbraw/zinc/31/33/30/1018313330.db2.gz HGRNUYXAKQUTDE-IBGZPJMESA-N 1 0 385.471 3.777 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](CCCC(C)(C)C#N)CC2 ZINC000932676600 1018577423 /nfs/dbraw/zinc/57/74/23/1018577423.db2.gz JEQXZRBTVRCOQP-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO COc1ccccc1/C(C)=C/C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000778111995 1018596082 /nfs/dbraw/zinc/59/60/82/1018596082.db2.gz ZTZKOXJTDYZRCF-KNTRCKAVSA-N 1 0 389.499 3.773 20 30 GHEDRO N#CC[C@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(F)(F)F ZINC000932901093 1018742474 /nfs/dbraw/zinc/74/24/74/1018742474.db2.gz ZDQFSLQPYWGUEU-KRWDZBQOSA-N 1 0 394.441 3.529 20 30 GHEDRO CCOC1CC(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000932941875 1018769697 /nfs/dbraw/zinc/76/96/97/1018769697.db2.gz DLKRFLVYLNYGLU-JPPWEJMLSA-N 1 0 381.307 3.904 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](CCC3CCOCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932943021 1018771462 /nfs/dbraw/zinc/77/14/62/1018771462.db2.gz JMQVBHUALAXCLI-PHIMTYICSA-N 1 0 381.307 3.906 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CCC(N3CCOCC3=O)CC2)cc1 ZINC001204366388 1032807042 /nfs/dbraw/zinc/80/70/42/1032807042.db2.gz FVPAASGBAKXMDC-UHFFFAOYSA-N 1 0 388.552 3.859 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OC2CC[NH+](Cc3ccccc3C#N)CC2)CC1 ZINC001204368785 1032811127 /nfs/dbraw/zinc/81/11/27/1032811127.db2.gz YCWINMCHRNPALC-UHFFFAOYSA-N 1 0 399.535 3.939 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccccc3C#N)CC2)c2ccc(C)cc21 ZINC001204370639 1032813797 /nfs/dbraw/zinc/81/37/97/1032813797.db2.gz GXRKFMOGWYEEKN-JOCHJYFZSA-N 1 0 388.515 3.774 20 30 GHEDRO Cc1ccccc1C[N@@H+](Cc1ccccn1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000567994055 1019365465 /nfs/dbraw/zinc/36/54/65/1019365465.db2.gz BOCISWQOJUFPHY-HSZRJFAPSA-N 1 0 387.483 3.704 20 30 GHEDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000570222971 1019572476 /nfs/dbraw/zinc/57/24/76/1019572476.db2.gz JSCOAXGZJYEVGP-GOTSBHOMSA-N 1 0 389.499 3.725 20 30 GHEDRO C[NH+](C)Cc1cccc(CNc2ccc([C@H](C#N)c3ccccc3F)nn2)c1 ZINC001156048493 1032856401 /nfs/dbraw/zinc/85/64/01/1032856401.db2.gz SQRPFWKSZOBOBZ-LJQANCHMSA-N 1 0 375.451 3.945 20 30 GHEDRO N#CCC[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000574514005 1019885541 /nfs/dbraw/zinc/88/55/41/1019885541.db2.gz ZMUFKTXSMVGEEN-YTFSRNRJSA-N 1 0 388.515 3.947 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000574900367 1019917125 /nfs/dbraw/zinc/91/71/25/1019917125.db2.gz NYNSYZSAUYQMPS-SFHVURJKSA-N 1 0 384.505 3.713 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000577453802 1020192470 /nfs/dbraw/zinc/19/24/70/1020192470.db2.gz ZXENOYJLSGSMBD-ZDXQCDESSA-N 1 0 378.516 3.883 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000577484599 1020207122 /nfs/dbraw/zinc/20/71/22/1020207122.db2.gz LPYZHQRBJDNYEX-GUYCJALGSA-N 1 0 393.270 3.522 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000577590357 1020262442 /nfs/dbraw/zinc/26/24/42/1020262442.db2.gz LYAYSUFDEJDXKZ-WOJBJXKFSA-N 1 0 390.487 3.519 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779057512 1020342786 /nfs/dbraw/zinc/34/27/86/1020342786.db2.gz JQBLJANAYJIAPC-PKOBYXMFSA-N 1 0 395.478 3.870 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000579344296 1020408254 /nfs/dbraw/zinc/40/82/54/1020408254.db2.gz XWKMJHFJJZZLGM-ZCYQVOJMSA-N 1 0 394.559 3.702 20 30 GHEDRO CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190605281 1020706785 /nfs/dbraw/zinc/70/67/85/1020706785.db2.gz OGRPSAWWKZSRBK-OXQOHEQNSA-N 1 0 379.529 3.602 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000779510464 1020837890 /nfs/dbraw/zinc/83/78/90/1020837890.db2.gz MHELNGCTUGZJLE-OFNKIYASSA-N 1 0 398.551 3.516 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](CCC(C)(C)C)CC2)cc1C ZINC000079216089 1020886674 /nfs/dbraw/zinc/88/66/74/1020886674.db2.gz ANEJYWZAUCNFCE-UHFFFAOYSA-N 1 0 384.568 3.604 20 30 GHEDRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000193708560 1020945917 /nfs/dbraw/zinc/94/59/17/1020945917.db2.gz UQVCFVQPBZYTSQ-UHFFFAOYSA-N 1 0 395.528 3.546 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3c(C#N)cnnc3-c3ccccc3)c2)CC1 ZINC001204516953 1032943529 /nfs/dbraw/zinc/94/35/29/1032943529.db2.gz CSPUKSQGVZEEBD-UHFFFAOYSA-N 1 0 384.487 3.506 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000091686251 1021082220 /nfs/dbraw/zinc/08/22/20/1021082220.db2.gz MUOSTQXCKDLLIA-HXUWFJFHSA-N 1 0 391.519 3.591 20 30 GHEDRO CCCNC(=O)c1cccc(CNC(=[NH2+])Nc2cc(OCC)ccc2OCC)c1 ZINC000303911464 1021148062 /nfs/dbraw/zinc/14/80/62/1021148062.db2.gz ZQADIDQOVODZIS-UHFFFAOYSA-N 1 0 398.507 3.551 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nnc1[C@@]1(C)CCCO1 ZINC000651544464 1021207686 /nfs/dbraw/zinc/20/76/86/1021207686.db2.gz YZRMDWUVMYFORU-NZQKXSOJSA-N 1 0 395.551 3.591 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC000834494935 1021224456 /nfs/dbraw/zinc/22/44/56/1021224456.db2.gz RBRPBENLXBZELQ-WFASDCNBSA-N 1 0 383.498 3.628 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)cc1Cl ZINC000800895771 1021346956 /nfs/dbraw/zinc/34/69/56/1021346956.db2.gz NFVWQMIUTZFVIE-UHFFFAOYSA-N 1 0 392.890 3.886 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000802605097 1021511341 /nfs/dbraw/zinc/51/13/41/1021511341.db2.gz ZXYZRSDQSBCQEG-KRWDZBQOSA-N 1 0 386.931 3.634 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCOC12CCCC2 ZINC000903388085 1021597775 /nfs/dbraw/zinc/59/77/75/1021597775.db2.gz JOQRNOSOJWTGNY-ZWKOTPCHSA-N 1 0 391.556 3.997 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC000834889891 1021629157 /nfs/dbraw/zinc/62/91/57/1021629157.db2.gz GZKIJXNSBVHYAC-SFHVURJKSA-N 1 0 375.472 3.803 20 30 GHEDRO CCC[NH+]1CCN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC1 ZINC001140440065 1021713241 /nfs/dbraw/zinc/71/32/41/1021713241.db2.gz WGCQCBHCYUBZSL-UHFFFAOYSA-N 1 0 382.508 3.824 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@@H]21 ZINC001140754326 1022438927 /nfs/dbraw/zinc/43/89/27/1022438927.db2.gz VLBJQOOOCNQTBA-KPDCDPCYSA-N 1 0 396.485 3.964 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cc(F)c(C#N)c(F)c3)C2)C1=O ZINC001140757691 1022447956 /nfs/dbraw/zinc/44/79/56/1022447956.db2.gz PLQUFEXRGZZZBZ-QHCPKHFHSA-N 1 0 395.453 3.983 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(Br)cc1C)CC2 ZINC001140815433 1022613724 /nfs/dbraw/zinc/61/37/24/1022613724.db2.gz AZHDAKLMLHKMAH-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(N(CC)CC)cc1O)C2 ZINC001140853461 1022705034 /nfs/dbraw/zinc/70/50/34/1022705034.db2.gz YMQXHYWOMMSHNB-QHCPKHFHSA-N 1 0 385.552 3.772 20 30 GHEDRO O=C1C=C2CN(Cc3ccc(OC(F)F)c(OCC4CC4)c3)CC[C@@H]2S1 ZINC001140904212 1022840222 /nfs/dbraw/zinc/84/02/22/1022840222.db2.gz LESMNRUCWUBMLR-KRWDZBQOSA-N 1 0 381.444 3.851 20 30 GHEDRO COC(=O)c1cc(O[C@H]2CCN(Cc3ccccc3C#N)C2)nc2ccccc21 ZINC001228780451 1033092068 /nfs/dbraw/zinc/09/20/68/1033092068.db2.gz DBOLWEQUKZZYPB-SFHVURJKSA-N 1 0 387.439 3.546 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC000754868057 1022940226 /nfs/dbraw/zinc/94/02/26/1022940226.db2.gz HGYKCJNBHTWBLZ-GOSISDBHSA-N 1 0 399.535 3.826 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001228795935 1033099708 /nfs/dbraw/zinc/09/97/08/1033099708.db2.gz KZDRPOVODVTAEW-VQTJNVASSA-N 1 0 391.515 3.503 20 30 GHEDRO C[NH+]1CCC2(CCN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)CC2)CC1 ZINC001156576707 1033111772 /nfs/dbraw/zinc/11/17/72/1033111772.db2.gz VRBWYURGKIMHGW-SFHVURJKSA-N 1 0 379.483 3.583 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2ccccc2Oc2ccc(C)cc2)CC1 ZINC000836714073 1023291767 /nfs/dbraw/zinc/29/17/67/1023291767.db2.gz CLSNQYJAMNACTI-UHFFFAOYSA-N 1 0 376.500 3.934 20 30 GHEDRO C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141106941 1023515729 /nfs/dbraw/zinc/51/57/29/1023515729.db2.gz LGCGTFZXQAHWHU-NWDGAFQWSA-N 1 0 398.960 3.981 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000756551109 1023710432 /nfs/dbraw/zinc/71/04/32/1023710432.db2.gz GOVYXQVHRZUVST-KRWDZBQOSA-N 1 0 391.558 3.575 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1C#N ZINC000756760801 1023804579 /nfs/dbraw/zinc/80/45/79/1023804579.db2.gz ODFMNBJJGSKGFX-UNMCSNQZSA-N 1 0 398.528 3.750 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CCN(Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163488 1023989769 /nfs/dbraw/zinc/98/97/69/1023989769.db2.gz GQUAZHQLJIHDFS-RXVVDRJESA-N 1 0 391.462 3.868 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163489 1023990087 /nfs/dbraw/zinc/99/00/87/1023990087.db2.gz GQUAZHQLJIHDFS-WIYYLYMNSA-N 1 0 391.462 3.868 20 30 GHEDRO N#Cc1cccc(-c2noc([C@H](c3cc4ccccc4o3)N3CCC([NH3+])CC3)n2)c1 ZINC001204967330 1033187147 /nfs/dbraw/zinc/18/71/47/1033187147.db2.gz NDISTDKBNFYWCI-NRFANRHFSA-N 1 0 399.454 3.867 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC001138277835 1024533379 /nfs/dbraw/zinc/53/33/79/1024533379.db2.gz UEYBESGZGZKRLB-QFIPXVFZSA-N 1 0 387.524 3.869 20 30 GHEDRO N#CC1(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCCC1 ZINC000831561712 1024645687 /nfs/dbraw/zinc/64/56/87/1024645687.db2.gz UQLWAKKUTWXSJM-UHFFFAOYSA-N 1 0 394.563 3.699 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001138389150 1024764127 /nfs/dbraw/zinc/76/41/27/1024764127.db2.gz FTCAQJJTDUJREY-UHFFFAOYSA-N 1 0 386.536 3.856 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C2 ZINC001138552526 1025007653 /nfs/dbraw/zinc/00/76/53/1025007653.db2.gz DTMMWPCLBXOUSE-OAQYLSRUSA-N 1 0 394.462 3.830 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426963 1025011927 /nfs/dbraw/zinc/01/19/27/1025011927.db2.gz XKTYPUILOKQALY-IBGZPJMESA-N 1 0 381.442 3.942 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1 ZINC001138558512 1025020301 /nfs/dbraw/zinc/02/03/01/1025020301.db2.gz YLQKLNGDYKGYSG-VWLOTQADSA-N 1 0 388.511 3.632 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138620013 1025113783 /nfs/dbraw/zinc/11/37/83/1025113783.db2.gz PBOANWAWUHRJLJ-JTHBVZDNSA-N 1 0 395.503 3.843 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138623366 1025121833 /nfs/dbraw/zinc/12/18/33/1025121833.db2.gz YBMXZZUMYPAIEE-IRLDBZIGSA-N 1 0 381.476 3.595 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001138629988 1025131624 /nfs/dbraw/zinc/13/16/24/1025131624.db2.gz MJSDQDKBHYJGEB-INIZCTEOSA-N 1 0 382.451 3.855 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138745318 1025285400 /nfs/dbraw/zinc/28/54/00/1025285400.db2.gz NBCHPTOHJRKHTL-XLIONFOSSA-N 1 0 381.900 3.683 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cnn(Cc3ccccc3)c1)C2 ZINC001138765865 1025332036 /nfs/dbraw/zinc/33/20/36/1025332036.db2.gz JEIAFJYXZMVSRN-XZOQPEGZSA-N 1 0 381.520 3.505 20 30 GHEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC001141542453 1025444836 /nfs/dbraw/zinc/44/48/36/1025444836.db2.gz KSDMHWSBQWMTKH-UHFFFAOYSA-N 1 0 387.443 3.763 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC001138879645 1025513964 /nfs/dbraw/zinc/51/39/64/1025513964.db2.gz RJBATQSEYDBIEX-QFIPXVFZSA-N 1 0 382.483 3.749 20 30 GHEDRO COc1cccc(C2(NC(F)(F)c3cc(C#N)cc(Cl)n3)CC[NH2+]CC2)c1 ZINC001161994508 1025526961 /nfs/dbraw/zinc/52/69/61/1025526961.db2.gz AEKWUQHGVDNJID-UHFFFAOYSA-N 1 0 392.837 3.533 20 30 GHEDRO COc1cccc(C2(NC(F)(F)c3ccc(Cl)nc3C#N)CC[NH2+]CC2)c1 ZINC001161994591 1025526972 /nfs/dbraw/zinc/52/69/72/1025526972.db2.gz CWEBTAUCRZQYOC-UHFFFAOYSA-N 1 0 392.837 3.533 20 30 GHEDRO CN(C)C=[NH+]c1ccc(NCC(=O)c2cccc(Br)c2)cc1C#N ZINC001162066423 1025581623 /nfs/dbraw/zinc/58/16/23/1025581623.db2.gz AKRKGDPMGFZYNL-WSDLNYQXSA-N 1 0 385.265 3.837 20 30 GHEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000839096410 1025595525 /nfs/dbraw/zinc/59/55/25/1025595525.db2.gz ULMWKGZKKNMQBD-FUHWJXTLSA-N 1 0 377.533 3.685 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC001162409236 1025739635 /nfs/dbraw/zinc/73/96/35/1025739635.db2.gz QVTHSWAFCPZYQE-UHFFFAOYSA-N 1 0 382.439 3.954 20 30 GHEDRO C=CCOc1ccccc1CN1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001139028183 1025794389 /nfs/dbraw/zinc/79/43/89/1025794389.db2.gz OTAPSRWFQASAIG-UHFFFAOYSA-N 1 0 380.536 3.616 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-n3cncc3-c3cccc(C[NH3+])c3)nn2)cc1 ZINC001162561968 1025796602 /nfs/dbraw/zinc/79/66/02/1025796602.db2.gz IJIIFNHOMIZTKC-HXUWFJFHSA-N 1 0 380.455 3.752 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC001139073432 1025875468 /nfs/dbraw/zinc/87/54/68/1025875468.db2.gz HHCRVOJLEWTVGM-HXUWFJFHSA-N 1 0 376.884 3.602 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)[C@H]2CC ZINC001139073577 1025876018 /nfs/dbraw/zinc/87/60/18/1025876018.db2.gz LGNWNPSPODZYLB-RXVVDRJESA-N 1 0 390.911 3.990 20 30 GHEDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ncc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162763215 1025910468 /nfs/dbraw/zinc/91/04/68/1025910468.db2.gz NYODBYGOQRKHFM-MRXNPFEDSA-N 1 0 394.482 3.875 20 30 GHEDRO Cn1ccc2ccc(C[N@@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)cc21 ZINC001139206721 1026056178 /nfs/dbraw/zinc/05/61/78/1026056178.db2.gz XVGDDILLNIQUTO-XMMPIXPASA-N 1 0 384.483 3.679 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)C3CCOCC3)sc2C1 ZINC000839585879 1026084912 /nfs/dbraw/zinc/08/49/12/1026084912.db2.gz NFONQYYGBWMZLM-CQSZACIVSA-N 1 0 389.565 3.868 20 30 GHEDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001141654555 1026090718 /nfs/dbraw/zinc/09/07/18/1026090718.db2.gz CGNMPNKLVJGMHT-SFHVURJKSA-N 1 0 379.298 3.876 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000839643942 1026154979 /nfs/dbraw/zinc/15/49/79/1026154979.db2.gz MDVYKHGSYLVNQN-MSOLQXFVSA-N 1 0 379.545 3.711 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1nccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC001163385076 1026171204 /nfs/dbraw/zinc/17/12/04/1026171204.db2.gz GDYNUGXCVIZTOT-KRWDZBQOSA-N 1 0 379.291 3.991 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1cc(Cl)ncc1C#N)c1ccc(Cl)cc1 ZINC001163386327 1026173266 /nfs/dbraw/zinc/17/32/66/1026173266.db2.gz VYQCEZQHDPILGZ-KRWDZBQOSA-N 1 0 379.291 3.991 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000839678344 1026193590 /nfs/dbraw/zinc/19/35/90/1026193590.db2.gz YWOMPBPNARXSAG-NRFANRHFSA-N 1 0 377.529 3.562 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N[C@H](Cc2ccc(C#N)cc2)C(=O)OC)nc1 ZINC001163506337 1026219247 /nfs/dbraw/zinc/21/92/47/1026219247.db2.gz QFYPZQMDZVOFSQ-RTWAWAEBSA-N 1 0 392.503 3.696 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c3ccccc3[nH]c1C(=O)OC)C2 ZINC001139397818 1026267440 /nfs/dbraw/zinc/26/74/40/1026267440.db2.gz GTCQVZFAZSSGFF-OFNKIYASSA-N 1 0 398.503 3.528 20 30 GHEDRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001139399653 1026270093 /nfs/dbraw/zinc/27/00/93/1026270093.db2.gz QBKZIWKYMBAMSW-GOSISDBHSA-N 1 0 389.455 3.870 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)cc2)c1 ZINC001139406838 1026279841 /nfs/dbraw/zinc/27/98/41/1026279841.db2.gz GHGMTKYLQWYSKY-UHFFFAOYSA-N 1 0 388.515 3.845 20 30 GHEDRO C[NH+]1CCC(CNc2cc(C#N)c(Br)cn2)(c2ccccc2)CC1 ZINC001163825478 1026327355 /nfs/dbraw/zinc/32/73/55/1026327355.db2.gz BFXQHNQRVHQGJC-UHFFFAOYSA-N 1 0 385.309 3.791 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(-c4cccnc4)cc3)C2)CC1 ZINC001139640353 1026502018 /nfs/dbraw/zinc/50/20/18/1026502018.db2.gz SWDPGKXBQLFPIL-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO CC[NH+](CC)Cc1ccc(Br)cc1NC(=NC#N)c1ccncc1 ZINC001164517693 1026540347 /nfs/dbraw/zinc/54/03/47/1026540347.db2.gz VHMCJLAJPPNSFZ-UHFFFAOYSA-N 1 0 386.297 3.835 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@H]4[C@H](CCN4Cc4nccs4)C3)c[nH]c21 ZINC001139704992 1026549646 /nfs/dbraw/zinc/54/96/46/1026549646.db2.gz IMJKBSBXFBGSDQ-APWZRJJASA-N 1 0 377.517 3.592 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1C#N ZINC001139723724 1026566146 /nfs/dbraw/zinc/56/61/46/1026566146.db2.gz FGJCZUSWXGRYDN-FYYLOGMGSA-N 1 0 377.488 3.712 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1C#N ZINC001139725074 1026568993 /nfs/dbraw/zinc/56/89/93/1026568993.db2.gz BEOCSJJZEWQHJA-NRFANRHFSA-N 1 0 382.458 3.999 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165088785 1026598525 /nfs/dbraw/zinc/59/85/25/1026598525.db2.gz SPIACVQLCMJSBK-MAUKXSAKSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165087895 1026598672 /nfs/dbraw/zinc/59/86/72/1026598672.db2.gz QNRSVJSHWSDFQJ-IAGOWNOFSA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1Cl ZINC001165088655 1026599015 /nfs/dbraw/zinc/59/90/15/1026599015.db2.gz SATRDSXUVVOSPH-IAGOWNOFSA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)cn1 ZINC001139771507 1026605889 /nfs/dbraw/zinc/60/58/89/1026605889.db2.gz FVUDLZWMEZRPOD-QFIPXVFZSA-N 1 0 390.531 3.645 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]2c2ccccc2)C1=O ZINC001139876564 1026692303 /nfs/dbraw/zinc/69/23/03/1026692303.db2.gz DLLXFTSINBRLDI-GGAORHGYSA-N 1 0 377.463 3.535 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCCCC23CC[NH2+]CC3)cc1F ZINC001165338781 1026707256 /nfs/dbraw/zinc/70/72/56/1026707256.db2.gz GLEFEVMEGUZJRT-UHFFFAOYSA-N 1 0 385.874 3.920 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165431635 1026726287 /nfs/dbraw/zinc/72/62/87/1026726287.db2.gz CSSXBGVOUYESAP-ZYHUDNBSSA-N 1 0 379.266 3.926 20 30 GHEDRO N#Cc1c(Cl)ccnc1N(c1cccc(F)c1)[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001165479645 1026741807 /nfs/dbraw/zinc/74/18/07/1026741807.db2.gz MSBIFADHSYHRNW-UZLBHIALSA-N 1 0 386.858 3.795 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3c(cnn3C)c1)CC2 ZINC001139948763 1026753713 /nfs/dbraw/zinc/75/37/13/1026753713.db2.gz OABVLJUOTPAURP-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO Cc1cccc(N(c2ccc(C3(C#N)CCC3)cn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165775361 1026833475 /nfs/dbraw/zinc/83/34/75/1026833475.db2.gz ZXZPGQMIRRUWOA-XUZZJYLKSA-N 1 0 388.515 3.994 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)c(F)c1 ZINC001140136779 1026910633 /nfs/dbraw/zinc/91/06/33/1026910633.db2.gz NGBZKKTVHHTEFU-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cccc5cnccc54)C3)CC2=O)c1 ZINC001140144593 1026920189 /nfs/dbraw/zinc/92/01/89/1026920189.db2.gz KOWYLSMOUJUDBC-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO N#Cc1c(Cl)ncnc1N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001166495852 1027014770 /nfs/dbraw/zinc/01/47/70/1027014770.db2.gz YDTZXCAJFNLLEZ-UHFFFAOYSA-N 1 0 376.807 3.513 20 30 GHEDRO N#Cc1c[nH]c2nc(N3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)ccc12 ZINC001166496958 1027014803 /nfs/dbraw/zinc/01/48/03/1027014803.db2.gz XJVLUMILHZGZGL-UHFFFAOYSA-N 1 0 380.411 3.946 20 30 GHEDRO N#Cc1ncc(Cl)nc1N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001166495842 1027014982 /nfs/dbraw/zinc/01/49/82/1027014982.db2.gz XTPXOUJRAVMNJD-UHFFFAOYSA-N 1 0 376.807 3.513 20 30 GHEDRO CC[NH+](CC)CCn1cc(Nc2cc(C#N)c(F)cc2Br)cn1 ZINC001203265414 1027254153 /nfs/dbraw/zinc/25/41/53/1027254153.db2.gz MNMJMFIYDSUIBU-UHFFFAOYSA-N 1 0 380.265 3.742 20 30 GHEDRO O[C@H](CC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)F ZINC001203352023 1027287281 /nfs/dbraw/zinc/28/72/81/1027287281.db2.gz MXADGHAWBDLAQH-PWSUYJOCSA-N 1 0 381.263 3.664 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(O)c(C(F)(F)F)c3)cc2C#N)CC1 ZINC001209986030 1027302693 /nfs/dbraw/zinc/30/26/93/1027302693.db2.gz RMOJALHJKIHYRE-UHFFFAOYSA-N 1 0 376.382 3.778 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c(OC)c1OC ZINC001203466213 1027358089 /nfs/dbraw/zinc/35/80/89/1027358089.db2.gz NBXZDBDWEVSFAC-LJQANCHMSA-N 1 0 382.460 3.627 20 30 GHEDRO C[C@H]([NH2+]C1(CNCc2cc(C#N)ccc2N(C)C)CCOCC1)c1ccccc1 ZINC001461231241 1069452716 /nfs/dbraw/zinc/45/27/16/1069452716.db2.gz RHSJEVPSRCDISM-IBGZPJMESA-N 1 0 392.547 3.614 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OC)c(F)c3)CC2)C1 ZINC001203790560 1027606377 /nfs/dbraw/zinc/60/63/77/1027606377.db2.gz KQLJMRPUYBUAFC-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)ccc1OC(C)=O ZINC001203830769 1027641089 /nfs/dbraw/zinc/64/10/89/1027641089.db2.gz UQQYUHAOPHFOLC-FQEVSTJZSA-N 1 0 380.444 3.536 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001203836763 1027645363 /nfs/dbraw/zinc/64/53/63/1027645363.db2.gz GIRMUYMHFMPVRT-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](Cc2ccc(C#N)cc2)C3)n1 ZINC001203901954 1027695028 /nfs/dbraw/zinc/69/50/28/1027695028.db2.gz ULGLJBAIJVDPJS-DNQXCXABSA-N 1 0 391.515 3.850 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)cc1 ZINC001203903714 1027695921 /nfs/dbraw/zinc/69/59/21/1027695921.db2.gz MPUJJKMDNUKTBG-IFMALSPDSA-N 1 0 381.451 3.542 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C#N)c(SC)n1)[C@H]2CC ZINC001141934536 1027700605 /nfs/dbraw/zinc/70/06/05/1027700605.db2.gz OVTCTVBBVDGDHZ-RXVVDRJESA-N 1 0 384.549 3.597 20 30 GHEDRO CSc1nc(C[N@H+](C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141946074 1027726117 /nfs/dbraw/zinc/72/61/17/1027726117.db2.gz YPWWJOBTOPIMRQ-QGZVFWFLSA-N 1 0 390.553 3.895 20 30 GHEDRO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C(F)(F)F)cc1Cl)CC2 ZINC001276430246 1027738633 /nfs/dbraw/zinc/73/86/33/1027738633.db2.gz HZFSFRLVXAXIFZ-HNNXBMFYSA-N 1 0 384.829 3.710 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OC(C)=O)cc3)CC2)C1 ZINC001203946183 1027740081 /nfs/dbraw/zinc/74/00/81/1027740081.db2.gz YBKAAWMBWYUNMG-UHFFFAOYSA-N 1 0 386.492 3.613 20 30 GHEDRO COc1cc(OC)cc(OCC[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001461280928 1069479659 /nfs/dbraw/zinc/47/96/59/1069479659.db2.gz BANIHFXRKGQTBR-UHFFFAOYSA-N 1 0 391.265 3.507 20 30 GHEDRO C(#Cc1ccccc1)c1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)s1 ZINC001141975650 1027787934 /nfs/dbraw/zinc/78/79/34/1027787934.db2.gz FGKQPUHDOYZTAL-WOJBJXKFSA-N 1 0 386.524 3.506 20 30 GHEDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1ccc(C#Cc3ccccc3)s1)CC2 ZINC001141976192 1027788798 /nfs/dbraw/zinc/78/87/98/1027788798.db2.gz YEUBTNOGOZHACC-UHFFFAOYSA-N 1 0 379.529 3.778 20 30 GHEDRO C=CCC[C@H]1NC(=O)N(c2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1=O ZINC000840898376 1027931130 /nfs/dbraw/zinc/93/11/30/1027931130.db2.gz DOYRNPHVAHXMIP-NHCUHLMSSA-N 1 0 399.535 3.857 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)ccc1OC ZINC000840898502 1027931394 /nfs/dbraw/zinc/93/13/94/1027931394.db2.gz LBKOYAWPLUBYFS-HNNXBMFYSA-N 1 0 390.386 3.987 20 30 GHEDRO Cc1cc(Cl)ccc1-c1noc([C@@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)n1 ZINC001211379990 1027932212 /nfs/dbraw/zinc/93/22/12/1027932212.db2.gz TUWDXEBLRSRJNU-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccccc2I)no1 ZINC001211436429 1027957678 /nfs/dbraw/zinc/95/76/78/1027957678.db2.gz KTWWDJDSYXKDRK-UHFFFAOYSA-N 1 0 395.244 3.840 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001142071592 1028028681 /nfs/dbraw/zinc/02/86/81/1028028681.db2.gz MRKFQTPVSMHGMZ-NRFANRHFSA-N 1 0 377.488 3.770 20 30 GHEDRO COc1ccc2nc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)sc2c1 ZINC001461432756 1069547281 /nfs/dbraw/zinc/54/72/81/1069547281.db2.gz SGDPFTACYGAAOX-UHFFFAOYSA-N 1 0 389.484 3.867 20 30 GHEDRO COc1cc(NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OCC[NH+](C)C ZINC000841819701 1028965273 /nfs/dbraw/zinc/96/52/73/1028965273.db2.gz DCWUJGQLTMKWJS-OAHLLOKOSA-N 1 0 398.463 3.570 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccccc2C#Cc2ccccc2)CCSC1 ZINC001215639666 1029321066 /nfs/dbraw/zinc/32/10/66/1029321066.db2.gz QZMXCGWKTOCEOV-QFIPXVFZSA-N 1 0 379.529 3.645 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(C(F)(F)F)ccc3CO)cc2C#N)CC1 ZINC001215684365 1029347390 /nfs/dbraw/zinc/34/73/90/1029347390.db2.gz WXSUZRJPXVQABV-UHFFFAOYSA-N 1 0 390.409 3.565 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC001461517622 1069587971 /nfs/dbraw/zinc/58/79/71/1069587971.db2.gz UBPLHYSOQTZHOJ-HYVNUMGLSA-N 1 0 382.342 3.943 20 30 GHEDRO CNc1cc(Nc2cc(Cl)c(I)cc2C#N)cc[nH+]1 ZINC001216338074 1029608235 /nfs/dbraw/zinc/60/82/35/1029608235.db2.gz RIRPZAFNHYQZOQ-UHFFFAOYSA-N 1 0 384.608 3.997 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c[nH]c3cc(C#N)ccc13)[C@@H]2C ZINC001142916371 1029688777 /nfs/dbraw/zinc/68/87/77/1029688777.db2.gz CYWROZYXRRTDBM-MRXNPFEDSA-N 1 0 376.508 3.653 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)c[nH]c2c1 ZINC001142917044 1029690411 /nfs/dbraw/zinc/69/04/11/1029690411.db2.gz QAQUNTWTVCGIOV-NRFANRHFSA-N 1 0 384.483 3.535 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(-c3ccccc3)nn1C)CC2 ZINC001143009123 1029778817 /nfs/dbraw/zinc/77/88/17/1029778817.db2.gz KFTFEWDQRHXSRS-QHCPKHFHSA-N 1 0 378.520 3.620 20 30 GHEDRO C[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@H+](C)Cc1ccccc1 ZINC001221967865 1029911002 /nfs/dbraw/zinc/91/10/02/1029911002.db2.gz OWDAKFJNEUEWSI-GOSISDBHSA-N 1 0 376.504 3.757 20 30 GHEDRO COC(=O)c1ccc2[nH]cc(C[NH+]3CCC(Oc4ccccc4C#N)CC3)c2c1 ZINC001143238509 1029935439 /nfs/dbraw/zinc/93/54/39/1029935439.db2.gz AFRSOSMYOYWQPL-UHFFFAOYSA-N 1 0 389.455 3.870 20 30 GHEDRO COc1ccc(F)c(C(F)(F)F)c1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC001143298151 1030002271 /nfs/dbraw/zinc/00/22/71/1030002271.db2.gz FEVHOYLTIVFXLK-CYBMUJFWSA-N 1 0 375.284 3.600 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1OC ZINC000843501751 1030049618 /nfs/dbraw/zinc/04/96/18/1030049618.db2.gz PFBVGRFSOXUCCB-GLJAUCNMSA-N 1 0 384.520 3.510 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2ccc3c(c2)CC[NH2+]C3)n1 ZINC001217178980 1030216701 /nfs/dbraw/zinc/21/67/01/1030216701.db2.gz PFOSBZQQOPSNCE-UHFFFAOYSA-N 1 0 381.233 3.683 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2cc3c(s2)C[NH2+]CC3)n1 ZINC001217304841 1030294261 /nfs/dbraw/zinc/29/42/61/1030294261.db2.gz ZDECNUUKMLWQKG-UHFFFAOYSA-N 1 0 387.262 3.745 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(-c4ccc5c(n4)CC[NH2+]C5)n3)cc2)cc1 ZINC001217491285 1030437647 /nfs/dbraw/zinc/43/76/47/1030437647.db2.gz PDSCQQNNIKXNSJ-UHFFFAOYSA-N 1 0 379.423 3.983 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](OCc3ccc(C(C)(C)C#N)cc3)C[C@H]2C1 ZINC001223153479 1030461582 /nfs/dbraw/zinc/46/15/82/1030461582.db2.gz RUSRJIACTFPIKD-VQTJNVASSA-N 1 0 399.535 3.698 20 30 GHEDRO COc1cc(O[C@H]2C[NH2+]CCC[C@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001217983145 1030704656 /nfs/dbraw/zinc/70/46/56/1030704656.db2.gz VLNBJTAAGODNLU-ZZGLKEESSA-N 1 0 385.435 3.766 20 30 GHEDRO COc1cc(O[C@@H]2CC[NH2+]CC[C@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218016207 1030724690 /nfs/dbraw/zinc/72/46/90/1030724690.db2.gz CQENPVVISSIAMO-SCOUUJELSA-N 1 0 385.435 3.766 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[NH2+]CC[C@H]3C)c(C#N)c2)nc1C ZINC001218031132 1030734260 /nfs/dbraw/zinc/73/42/60/1030734260.db2.gz XJBLJRWASPKWRW-DYVFJYSZSA-N 1 0 399.516 3.934 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001218034965 1030735065 /nfs/dbraw/zinc/73/50/65/1030735065.db2.gz YVZKVUPLNIQEGI-QWEBMAGTSA-N 1 0 397.471 3.595 20 30 GHEDRO C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)cc(C[NH+](C)C)c3)n[nH]2)c1C ZINC001151010666 1030742496 /nfs/dbraw/zinc/74/24/96/1030742496.db2.gz BHCIUBVOJNIJEO-UHFFFAOYSA-N 1 0 392.507 3.698 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)C2 ZINC001461702422 1069689405 /nfs/dbraw/zinc/68/94/05/1069689405.db2.gz FQYBZKRBWVZKCC-HXUWFJFHSA-N 1 0 376.460 3.714 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC001218199157 1030821767 /nfs/dbraw/zinc/82/17/67/1030821767.db2.gz ARSDCDHHIZACQZ-PELKAZGASA-N 1 0 375.272 3.763 20 30 GHEDRO C=CCN1C[C@]2(CC[N@@H+](Cc3sc(Cl)c4ccccc43)C2)OCC1=O ZINC001276937826 1030848502 /nfs/dbraw/zinc/84/85/02/1030848502.db2.gz JHYULCSCZLSIMA-LJQANCHMSA-N 1 0 376.909 3.544 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1sc(Cl)c3ccccc31)C2 ZINC001276938037 1030849028 /nfs/dbraw/zinc/84/90/28/1030849028.db2.gz ONZLLYNAAXFKOH-HXUWFJFHSA-N 1 0 390.936 3.792 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)c2C1=O ZINC001218250184 1030852627 /nfs/dbraw/zinc/85/26/27/1030852627.db2.gz LCAADIRWPQYPKA-DJIMGWMZSA-N 1 0 381.472 3.963 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(OC2CCC3(C[NH2+]C3)CC2)c1 ZINC001218264447 1030861183 /nfs/dbraw/zinc/86/11/83/1030861183.db2.gz VRNDBYRBTZBMTA-FBHDLOMBSA-N 1 0 393.439 3.625 20 30 GHEDRO CCC(=O)[C@H]1C[C@@H](Oc2ccccc2C(=O)/C=C/c2ccc(OC)cc2)C[NH2+]1 ZINC001218325240 1030894204 /nfs/dbraw/zinc/89/42/04/1030894204.db2.gz JWBZPGFHPKJRHH-ADRWGQEASA-N 1 0 379.456 3.680 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1COC1CC[NH+](CCc2ccccc2)CC1 ZINC001224167802 1030908708 /nfs/dbraw/zinc/90/87/08/1030908708.db2.gz CCXISYJZFAWYKB-UHFFFAOYSA-N 1 0 378.472 3.569 20 30 GHEDRO C=CC[C@@H](CCCC)Oc1nc2ccc(C(=O)CCN3CC[NH2+]CC3)cc2o1 ZINC001218438355 1030936931 /nfs/dbraw/zinc/93/69/31/1030936931.db2.gz KIABKPCDPROYLN-SFHVURJKSA-N 1 0 385.508 3.820 20 30 GHEDRO CC1(C)C[C@@H](Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)CC[NH2+]1 ZINC001218474871 1030951998 /nfs/dbraw/zinc/95/19/98/1030951998.db2.gz BQHRPBJLIRHYTI-HMLMHZCHSA-N 1 0 379.504 3.840 20 30 GHEDRO CC(C)(C)OC[C@H]([NH3+])CC(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001218542432 1030980993 /nfs/dbraw/zinc/98/09/93/1030980993.db2.gz SVGDXDICDCRMKK-CQSZACIVSA-N 1 0 375.469 3.897 20 30 GHEDRO N#Cc1c(NC(=O)[C@@]2(N)CCC[NH2+]C2)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218552361 1030983929 /nfs/dbraw/zinc/98/39/29/1030983929.db2.gz DNPHXEXFQQAFQS-HSZRJFAPSA-N 1 0 386.455 3.505 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001224417632 1030995776 /nfs/dbraw/zinc/99/57/76/1030995776.db2.gz VGOBCUIXKXPFBS-OAQYLSRUSA-N 1 0 383.923 3.878 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1CO[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224430735 1031000829 /nfs/dbraw/zinc/00/08/29/1031000829.db2.gz UWGBTGYKCFCPNU-WOJBJXKFSA-N 1 0 385.508 3.549 20 30 GHEDRO N#Cc1c2ccccc2sc1NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1 ZINC001218648900 1031020277 /nfs/dbraw/zinc/02/02/77/1031020277.db2.gz MZSSRZCNIKVMMO-KUHUBIRLSA-N 1 0 386.480 3.804 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cc(-c2ccccc2)nn1C1CCC1 ZINC001218727247 1031053007 /nfs/dbraw/zinc/05/30/07/1031053007.db2.gz XMQJWXWVKIVXPC-FQEVSTJZSA-N 1 0 385.471 3.655 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@@H+](Cc3csc(-c4cccc(Cl)c4)n3)C2)C1=O ZINC001276992376 1031086169 /nfs/dbraw/zinc/08/61/69/1031086169.db2.gz PJYHVMAQXHLQGJ-HXUWFJFHSA-N 1 0 385.920 3.521 20 30 GHEDRO Cc1ccc2ccccc2c1NC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH2+]CC1 ZINC001218811247 1031088288 /nfs/dbraw/zinc/08/82/88/1031088288.db2.gz MFZWGTRHHCYURF-HSZRJFAPSA-N 1 0 384.483 3.605 20 30 GHEDRO CCc1cc(NC(=O)[C@@H](NCc2ccccc2)C(C)(C)[NH3+])cc(CC)c1C#N ZINC001219112913 1031258394 /nfs/dbraw/zinc/25/83/94/1031258394.db2.gz ZNDCVOXVQMZBOF-OAQYLSRUSA-N 1 0 378.520 3.517 20 30 GHEDRO C[C@H](CS)O[C@@H]1C[N@H+](Cc2ccccc2)C2(C1)CCC1(CC2)OCCO1 ZINC001225172902 1031297052 /nfs/dbraw/zinc/29/70/52/1031297052.db2.gz BENGUTKHQWLRCX-MJGOQNOKSA-N 1 0 377.550 3.652 20 30 GHEDRO Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001219223632 1031311924 /nfs/dbraw/zinc/31/19/24/1031311924.db2.gz MCGNMBOXABZSFG-FQEVSTJZSA-N 1 0 398.466 3.628 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Br)c(C)c3C)C2)C1=O ZINC001277025544 1031314731 /nfs/dbraw/zinc/31/47/31/1031314731.db2.gz FJBYUQVEJQHROD-IBGZPJMESA-N 1 0 377.326 3.676 20 30 GHEDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nc2ccc(Br)cc2cc1C#N ZINC001225416103 1031397404 /nfs/dbraw/zinc/39/74/04/1031397404.db2.gz RJUSPHXSJYYIGE-IVWMJMPLSA-N 1 0 386.293 3.978 20 30 GHEDRO CCCN(C(=O)Nc1ccc(C#N)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219655802 1031542729 /nfs/dbraw/zinc/54/27/29/1031542729.db2.gz WIOOFCYIHHPGIK-HXUWFJFHSA-N 1 0 377.492 3.862 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)N[C@H]3C[NH2+]Cc4ccsc43)c2)c1 ZINC001219828975 1031644656 /nfs/dbraw/zinc/64/46/56/1031644656.db2.gz JFURJJGNHKZVGF-IBGZPJMESA-N 1 0 375.453 3.567 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OC)c(C#N)c1)Cc1ccccc1 ZINC001219840236 1031649799 /nfs/dbraw/zinc/64/97/99/1031649799.db2.gz SELPXOPALZFVRC-FQEVSTJZSA-N 1 0 380.492 3.641 20 30 GHEDRO Cc1nc2cccc(C(=O)N(Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)c2[nH]1 ZINC001153615136 1031672455 /nfs/dbraw/zinc/67/24/55/1031672455.db2.gz BRHPGFVPGRWDGT-WGSAOQKQSA-N 1 0 387.487 3.655 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN2Cc2c(C)cccc2Br)C1=O ZINC001276809380 1031721391 /nfs/dbraw/zinc/72/13/91/1031721391.db2.gz FTLOHWWGHWQEBE-LJQANCHMSA-N 1 0 377.326 3.901 20 30 GHEDRO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC001220047093 1031756339 /nfs/dbraw/zinc/75/63/39/1031756339.db2.gz PVJDYJWRPSZSJM-BKTGTZMESA-N 1 0 387.405 3.757 20 30 GHEDRO N#CC1(NC(=O)c2ccc3cc(F)ccc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC001153898831 1031797526 /nfs/dbraw/zinc/79/75/26/1031797526.db2.gz KYDROUQFEFDZDN-UHFFFAOYSA-N 1 0 388.446 3.662 20 30 GHEDRO C[NH2+][C@H](C(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21)[C@@H](C)OC(C)(C)C ZINC001220179797 1031820736 /nfs/dbraw/zinc/82/07/36/1031820736.db2.gz SNRQMNHNQQVPHJ-QRWLVFNGSA-N 1 0 392.499 3.659 20 30 GHEDRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]CC3(C#N)CCOCC3)n2c1 ZINC001461813475 1069764578 /nfs/dbraw/zinc/76/45/78/1069764578.db2.gz CRRORRHWMGHPJR-UHFFFAOYSA-N 1 0 378.451 3.859 20 30 GHEDRO C#Cc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c(Cl)c1 ZINC001220233388 1031849941 /nfs/dbraw/zinc/84/99/41/1031849941.db2.gz PMAOIIYYZOHDLA-UHFFFAOYSA-N 1 0 377.941 3.804 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NCC2(c3ccc(Cl)cc3)CC2)C1 ZINC001220258849 1031865173 /nfs/dbraw/zinc/86/51/73/1031865173.db2.gz RVZZPLDCLQZAIV-IERDGZPVSA-N 1 0 393.918 3.580 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC#C[C@H]2CCCCO2)C1 ZINC001220523419 1031975842 /nfs/dbraw/zinc/97/58/42/1031975842.db2.gz HEQIXGOBNXFWRW-TXTKFYIRSA-N 1 0 397.563 3.536 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC001220663896 1032051634 /nfs/dbraw/zinc/05/16/34/1032051634.db2.gz QMLBMQAPQDCWAV-MDKPJZGXSA-N 1 0 399.560 3.655 20 30 GHEDRO CN(C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl)[C@@]1(C)CCC[NH2+]C1 ZINC001156977325 1033353479 /nfs/dbraw/zinc/35/34/79/1033353479.db2.gz RQAULQPNGIRKRH-SFHVURJKSA-N 1 0 391.853 3.792 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001229292371 1033394852 /nfs/dbraw/zinc/39/48/52/1033394852.db2.gz RVLAIYBSYJEHIV-UHFFFAOYSA-N 1 0 381.442 3.550 20 30 GHEDRO CCC[N@@H+]1CCc2c(N)sc(NC(=O)c3cccc4c(C#N)c[nH]c43)c2C1 ZINC001157165075 1033440874 /nfs/dbraw/zinc/44/08/74/1033440874.db2.gz AQQOXERXEIVNCD-UHFFFAOYSA-N 1 0 379.489 3.704 20 30 GHEDRO N#Cc1cc(CN2CC(c3[nH+]cn4cc(Br)ccc34)C2)ccc1F ZINC001205496625 1033442182 /nfs/dbraw/zinc/44/21/82/1033442182.db2.gz IGLGXPHECQRGCF-UHFFFAOYSA-N 1 0 385.240 3.707 20 30 GHEDRO C#CC[C@H](C)Oc1c(OC)cc2c3c1-c1c(O)c(OC)ccc1C[C@@H]3N(C)CC2 ZINC001229531885 1033542634 /nfs/dbraw/zinc/54/26/34/1033542634.db2.gz ZGVPKFSLYUXAFX-YOEHRIQHSA-N 1 0 393.483 3.952 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157433913 1033585684 /nfs/dbraw/zinc/58/56/84/1033585684.db2.gz JQALSZHZGDZSPG-MRXNPFEDSA-N 1 0 376.838 3.910 20 30 GHEDRO C=CCNc1ncc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)s1 ZINC001157492867 1033617811 /nfs/dbraw/zinc/61/78/11/1033617811.db2.gz PCKULJRPZAYYNS-UHFFFAOYSA-N 1 0 396.560 3.968 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)cc1 ZINC001205917122 1033634734 /nfs/dbraw/zinc/63/47/34/1033634734.db2.gz HZDJIPVUYLMUQB-BPQIPLTHSA-N 1 0 383.410 3.699 20 30 GHEDRO CC[NH+]1CCC(Oc2cc(/C=C/C(=O)c3ccc(O)cc3OC)ccc2O)CC1 ZINC001229687572 1033641568 /nfs/dbraw/zinc/64/15/68/1033641568.db2.gz OWCNYCFMPYUOBB-XBXARRHUSA-N 1 0 397.471 3.866 20 30 GHEDRO O=C1C=CC(=Nc2ccc(OC[C@H]3CN(Cc4ccccc4)CCO3)cc2)C=C1 ZINC001229694675 1033646863 /nfs/dbraw/zinc/64/68/63/1033646863.db2.gz JNAMZHSTVHZOGU-XMMPIXPASA-N 1 0 388.467 3.734 20 30 GHEDRO N#CCCN(Cc1cccnc1)C(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC001157730901 1033744003 /nfs/dbraw/zinc/74/40/03/1033744003.db2.gz TYFHTYKURJVNDO-QGZVFWFLSA-N 1 0 377.275 3.721 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CC[NH2+][C@H](c3ccccc3)C2)c1C#N ZINC001157765130 1033758898 /nfs/dbraw/zinc/75/88/98/1033758898.db2.gz MLRLYLDGPPQZJU-IBGZPJMESA-N 1 0 387.512 3.888 20 30 GHEDRO COc1cccc(C2(Cc3nc(-c4ccc(C#N)c(C)c4)no3)CC[NH2+]CC2)c1 ZINC001206368498 1033817042 /nfs/dbraw/zinc/81/70/42/1033817042.db2.gz IKTJGWPOEVJQEM-UHFFFAOYSA-N 1 0 388.471 3.789 20 30 GHEDRO Cc1cc(Nc2ccnc(C#N)c2)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001206607105 1033923187 /nfs/dbraw/zinc/92/31/87/1033923187.db2.gz LFUFRGZAPGYHGL-UHFFFAOYSA-N 1 0 386.503 3.536 20 30 GHEDRO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001206714164 1033955153 /nfs/dbraw/zinc/95/51/53/1033955153.db2.gz AJFUNDOEJMPNBJ-KRWDZBQOSA-N 1 0 381.561 3.569 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c(C#N)cnc2cnc(Cl)cc21 ZINC001158292932 1034009180 /nfs/dbraw/zinc/00/91/80/1034009180.db2.gz QIPCEVXHGGTFSD-UHFFFAOYSA-N 1 0 391.862 3.917 20 30 GHEDRO Cn1cc(C[N@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1C#N ZINC001207103878 1034095047 /nfs/dbraw/zinc/09/50/47/1034095047.db2.gz AJDCLOSUBHOMAR-LEWJYISDSA-N 1 0 392.503 3.615 20 30 GHEDRO C[C@@H]1C[C@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001207175211 1034145629 /nfs/dbraw/zinc/14/56/29/1034145629.db2.gz RCUCFISLUUABNO-UYAOXDASSA-N 1 0 398.551 3.716 20 30 GHEDRO C=CCN(CCN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001207202078 1034171053 /nfs/dbraw/zinc/17/10/53/1034171053.db2.gz LLWHLGBSVLPJQG-HDICACEKSA-N 1 0 391.581 3.535 20 30 GHEDRO C=CCN(CC[NH+]1CCC(Oc2ccccc2OC)CC1)C(=O)OC(C)(C)C ZINC001207203404 1034171383 /nfs/dbraw/zinc/17/13/83/1034171383.db2.gz BFJNOEBNNZJUJU-UHFFFAOYSA-N 1 0 390.524 3.962 20 30 GHEDRO C=CCN(CCN1CCC([N@@H+]2CCc3ccccc3C2)CC1)C(=O)OC(C)(C)C ZINC001207203986 1034172226 /nfs/dbraw/zinc/17/22/26/1034172226.db2.gz XWYTWQKWYYXOKY-UHFFFAOYSA-N 1 0 399.579 3.932 20 30 GHEDRO C=CCN(CC[NH+]1CCC(Oc2cccc(C)n2)CC1)C(=O)OC(C)(C)C ZINC001207204075 1034172623 /nfs/dbraw/zinc/17/26/23/1034172623.db2.gz ALZQUOSZBYZJOB-UHFFFAOYSA-N 1 0 375.513 3.656 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001207215795 1034183935 /nfs/dbraw/zinc/18/39/35/1034183935.db2.gz CMGXDXSYPVDBCI-KRWDZBQOSA-N 1 0 387.499 3.940 20 30 GHEDRO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)(C1)C2 ZINC001207270632 1034226456 /nfs/dbraw/zinc/22/64/56/1034226456.db2.gz IIYCYVGABYKTKZ-WDGBRCNXSA-N 1 0 397.519 3.849 20 30 GHEDRO COC(=O)Cc1ccc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1C#N ZINC001231035920 1034353688 /nfs/dbraw/zinc/35/36/88/1034353688.db2.gz XDDDEJIRTGANEE-WWPVKYPJSA-N 1 0 390.483 3.563 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001159032014 1034390587 /nfs/dbraw/zinc/39/05/87/1034390587.db2.gz UOIYRIOBTBPEMG-UHFFFAOYSA-N 1 0 389.503 3.537 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](CCc4ccc(F)cc4)C3)C2)c1 ZINC001207512536 1034416876 /nfs/dbraw/zinc/41/68/76/1034416876.db2.gz AQJMBSWCGOGHIQ-DEOSSOPVSA-N 1 0 393.506 3.859 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](CCc4ccc(F)cc4)C3)C2)c1 ZINC001207512538 1034417289 /nfs/dbraw/zinc/41/72/89/1034417289.db2.gz AQJMBSWCGOGHIQ-XMMPIXPASA-N 1 0 393.506 3.859 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1F ZINC001207631941 1034497808 /nfs/dbraw/zinc/49/78/08/1034497808.db2.gz VBRDTYGUNOPGBC-VQIMIIECSA-N 1 0 382.483 3.856 20 30 GHEDRO CC(C)(C)OC(=O)c1c(Nc2ccc(OCC#N)cc2)sc2c1CC[NH2+]C2 ZINC001159271885 1034515270 /nfs/dbraw/zinc/51/52/70/1034515270.db2.gz KSGQYDMHKWPCLJ-UHFFFAOYSA-N 1 0 385.489 3.995 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc4cc(N(C)C)ccc4c3)C2)C1=O ZINC001231441115 1034590349 /nfs/dbraw/zinc/59/03/49/1034590349.db2.gz NBERPXYUIJTRRE-DEOSSOPVSA-N 1 0 377.532 3.906 20 30 GHEDRO Cc1ccc(C#N)c(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC001159516433 1034633157 /nfs/dbraw/zinc/63/31/57/1034633157.db2.gz VYSLMXBHSSNXNL-QHCPKHFHSA-N 1 0 386.499 3.737 20 30 GHEDRO C=CCNC(=O)c1cccnc1N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001159561624 1034664173 /nfs/dbraw/zinc/66/41/73/1034664173.db2.gz JFGGUKFUYVLBEF-IJZHQTRZSA-N 1 0 390.531 3.630 20 30 GHEDRO N#Cc1cc(Nc2ccc(N3CC[NH2+]CC3)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC001159575514 1034675100 /nfs/dbraw/zinc/67/51/00/1034675100.db2.gz BBIBTTUWXFAHCK-UHFFFAOYSA-N 1 0 391.353 3.638 20 30 GHEDRO N#Cc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2)ccc1N1CC[NH2+]CC1 ZINC001159743255 1034730927 /nfs/dbraw/zinc/73/09/27/1034730927.db2.gz YULXJUVCUZWZJM-UHFFFAOYSA-N 1 0 397.482 3.964 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)CC1 ZINC001208175419 1034774195 /nfs/dbraw/zinc/77/41/95/1034774195.db2.gz VTNLFYDSUIQQMW-GIWBLDEGSA-N 1 0 382.552 3.839 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC(C)C)C2=O ZINC001231619563 1034777270 /nfs/dbraw/zinc/77/72/70/1034777270.db2.gz NWRRJGBHBCURRK-XMMPIXPASA-N 1 0 389.499 3.713 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=S)NC(=O)OC(C)(C)C)CC1 ZINC001231620706 1034778287 /nfs/dbraw/zinc/77/82/87/1034778287.db2.gz KVPQBISSKRHFEM-UHFFFAOYSA-N 1 0 389.521 3.631 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001231622319 1034780026 /nfs/dbraw/zinc/78/00/26/1034780026.db2.gz UNSFOTJVMZHODJ-IBGZPJMESA-N 1 0 385.508 3.836 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1 ZINC001231622655 1034781378 /nfs/dbraw/zinc/78/13/78/1034781378.db2.gz CKSAAHDFEXROCU-YTFSRNRJSA-N 1 0 380.488 3.847 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1 ZINC001231622693 1034782005 /nfs/dbraw/zinc/78/20/05/1034782005.db2.gz DQMZFIOCAXFYCI-WXFUMESZSA-N 1 0 394.515 3.985 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC001231623318 1034782892 /nfs/dbraw/zinc/78/28/92/1034782892.db2.gz BISLEDMZYPBGPB-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccc(OC)cc4)C3=O)C2)c1 ZINC001231655012 1034812600 /nfs/dbraw/zinc/81/26/00/1034812600.db2.gz JPXDJZMOUFDWOL-RUZDIDTESA-N 1 0 388.511 3.691 20 30 GHEDRO Cn1ccc2c1nc(Cl)nc2NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160100724 1034860280 /nfs/dbraw/zinc/86/02/80/1034860280.db2.gz QNEIJLLYGFKKMI-UHFFFAOYSA-N 1 0 380.883 3.592 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001160239930 1034914287 /nfs/dbraw/zinc/91/42/87/1034914287.db2.gz KGSKYTKSUOEUQY-QNWVGRARSA-N 1 0 392.584 3.807 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1C)C2 ZINC001231798944 1034917004 /nfs/dbraw/zinc/91/70/04/1034917004.db2.gz XQFYLAUMUKEFSN-XMMPIXPASA-N 1 0 390.531 3.985 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001231816364 1034926140 /nfs/dbraw/zinc/92/61/40/1034926140.db2.gz MLFRKWHKKYLQBG-JOCHJYFZSA-N 1 0 384.524 3.622 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc1 ZINC001231817440 1034926308 /nfs/dbraw/zinc/92/63/08/1034926308.db2.gz KDHHQOPTEYGPLS-XZOQPEGZSA-N 1 0 383.536 3.587 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001231817018 1034926666 /nfs/dbraw/zinc/92/66/66/1034926666.db2.gz URNRMQFRPJPIKZ-LJQANCHMSA-N 1 0 386.540 3.916 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 ZINC001231818377 1034927480 /nfs/dbraw/zinc/92/74/80/1034927480.db2.gz TZHAXOPLHLGBCD-DNVJHFABSA-N 1 0 383.536 3.585 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001231820617 1034928022 /nfs/dbraw/zinc/92/80/22/1034928022.db2.gz QCHFQFRAUUYQCW-JBACZVJFSA-N 1 0 383.536 3.979 20 30 GHEDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC001231820592 1034928332 /nfs/dbraw/zinc/92/83/32/1034928332.db2.gz HAXIBVFDDWSTEB-IBGZPJMESA-N 1 0 379.504 3.990 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(N(C)CCC#N)cc1)CCO2 ZINC001231819775 1034928376 /nfs/dbraw/zinc/92/83/76/1034928376.db2.gz RWUFDVPNKQLSEQ-JTHBVZDNSA-N 1 0 383.536 3.610 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231821708 1034929369 /nfs/dbraw/zinc/92/93/69/1034929369.db2.gz JQNISWVGWGRAGI-YLJYHZDGSA-N 1 0 386.540 3.914 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208582260 1034939527 /nfs/dbraw/zinc/93/95/27/1034939527.db2.gz GWNVYXKHZUJUNH-JOCHJYFZSA-N 1 0 397.563 3.762 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)n1nc(-c2ccncc2)cc1C[NH3+] ZINC001160337677 1034943349 /nfs/dbraw/zinc/94/33/49/1034943349.db2.gz KDGXQFCNECUVCX-UHFFFAOYSA-N 1 0 395.200 3.575 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H]1CCCCN1Cc1ccccc1)C2 ZINC001208589046 1034945926 /nfs/dbraw/zinc/94/59/26/1034945926.db2.gz QBSPXNYVDWVGIO-KMDXXIMOSA-N 1 0 384.564 3.867 20 30 GHEDRO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(CCC#N)cc2)[NH+]2CCCC2)cc1 ZINC001208731423 1034992071 /nfs/dbraw/zinc/99/20/71/1034992071.db2.gz QWNGDLJCCJPCIW-QFIPXVFZSA-N 1 0 397.544 3.567 20 30 GHEDRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001160569580 1035004605 /nfs/dbraw/zinc/00/46/05/1035004605.db2.gz SUPJUZKNRRKHMM-QFIPXVFZSA-N 1 0 395.934 3.823 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4cccc(OC)c34)C2)C1 ZINC001232033858 1035052613 /nfs/dbraw/zinc/05/26/13/1035052613.db2.gz DXRUGHPGWJCIDM-QFIPXVFZSA-N 1 0 383.492 3.787 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)c1 ZINC001208851620 1035058744 /nfs/dbraw/zinc/05/87/44/1035058744.db2.gz AVYASUSYLCLAQU-OAQYLSRUSA-N 1 0 397.473 3.519 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1 ZINC001208859319 1035062728 /nfs/dbraw/zinc/06/27/28/1035062728.db2.gz PHMVAZCHAPRWDY-ISKFKSNPSA-N 1 0 391.515 3.836 20 30 GHEDRO Cc1cc(F)c(C#N)cc1NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001208858649 1035063000 /nfs/dbraw/zinc/06/30/00/1035063000.db2.gz SFEYEXHLGSOWHA-UHFFFAOYSA-N 1 0 396.466 3.802 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CCCc1ccc(C(=O)OCC)cc1)C2 ZINC001208866560 1035067159 /nfs/dbraw/zinc/06/71/59/1035067159.db2.gz UBAHJVNERREEPG-DEOSSOPVSA-N 1 0 398.547 3.829 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)cc1 ZINC001208922446 1035090206 /nfs/dbraw/zinc/09/02/06/1035090206.db2.gz GWNNZGXURZLOPE-QFIPXVFZSA-N 1 0 379.529 3.791 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)nccc3OC)CC2)C1=O ZINC001277612880 1035096266 /nfs/dbraw/zinc/09/62/66/1035096266.db2.gz ZEEVCUNZGDFUMK-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)CC[C@@H]2C1 ZINC001232113669 1035102243 /nfs/dbraw/zinc/10/22/43/1035102243.db2.gz YIOORQPNFSXEJT-SJORKVTESA-N 1 0 375.900 3.900 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNc1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC001160957842 1035105415 /nfs/dbraw/zinc/10/54/15/1035105415.db2.gz WHWWJJZFYHHOJT-KRWDZBQOSA-N 1 0 385.581 3.966 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4ccc(C#N)c(Cl)c4)CC[N@@H+]3C2)cc1 ZINC001232120542 1035107534 /nfs/dbraw/zinc/10/75/34/1035107534.db2.gz URYZBWIBRREBOA-FPOVZHCZSA-N 1 0 381.907 3.858 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cnc(-c4cccnc4)o3)CC2)C1 ZINC001232130316 1035112880 /nfs/dbraw/zinc/11/28/80/1035112880.db2.gz DIEMIUJZPNNJKA-UHFFFAOYSA-N 1 0 396.491 3.737 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC001160992072 1035113325 /nfs/dbraw/zinc/11/33/25/1035113325.db2.gz HZJHROLTMHMFSS-HSZRJFAPSA-N 1 0 387.527 3.734 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161496530 1035242017 /nfs/dbraw/zinc/24/20/17/1035242017.db2.gz SOXJEKTXARWDTN-UHFFFAOYSA-N 1 0 375.501 3.854 20 30 GHEDRO CCOC(=O)CCCCCC[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001209351011 1035249362 /nfs/dbraw/zinc/24/93/62/1035249362.db2.gz QNHSCNFYDHCTKY-UHFFFAOYSA-N 1 0 388.508 3.924 20 30 GHEDRO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[C@H](C)O1 ZINC001209389505 1035266522 /nfs/dbraw/zinc/26/65/22/1035266522.db2.gz UQTDPWVSEBXLIB-MNHFLQJXSA-N 1 0 397.563 3.681 20 30 GHEDRO C=CCCCCCN1Cc2cc(OC)c(OC)cc2C(=O)C12CC[NH+](C)CC2 ZINC001209428822 1035272841 /nfs/dbraw/zinc/27/28/41/1035272841.db2.gz NNSDZNFKKOTEKI-UHFFFAOYSA-N 1 0 386.536 3.913 20 30 GHEDRO C=CCCCCCCC[NH+]1CCC2(CC1)c1cc(C(=O)NC)ccc1NC2=O ZINC001209439215 1035274629 /nfs/dbraw/zinc/27/46/29/1035274629.db2.gz KQNLFNAMYVJNAT-UHFFFAOYSA-N 1 0 383.536 3.859 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)N4CCCC4)cc3)C2)cc1 ZINC001209680843 1035354175 /nfs/dbraw/zinc/35/41/75/1035354175.db2.gz UYYIAQNYDOOWNE-HSZRJFAPSA-N 1 0 389.499 3.838 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241503591 1035596223 /nfs/dbraw/zinc/59/62/23/1035596223.db2.gz WLIGRCFRXNDHHS-IBGZPJMESA-N 1 0 390.487 3.715 20 30 GHEDRO Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(Br)cc3C#N)no2)cc1 ZINC001248231972 1035669311 /nfs/dbraw/zinc/66/93/11/1035669311.db2.gz BQTBSBVNIWHAAP-MRXNPFEDSA-N 1 0 397.276 3.792 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(-c2ccc(CC#N)c(C(F)(F)F)c2)cc1 ZINC001241770310 1035691030 /nfs/dbraw/zinc/69/10/30/1035691030.db2.gz QZIFSXOTPGNRET-UHFFFAOYSA-N 1 0 375.394 3.730 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)cc1 ZINC001241782005 1035698504 /nfs/dbraw/zinc/69/85/04/1035698504.db2.gz PUARBZIMFBQURF-UHFFFAOYSA-N 1 0 391.515 3.607 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cc(Br)cnc2C#N)cc1 ZINC001248403726 1035819257 /nfs/dbraw/zinc/81/92/57/1035819257.db2.gz PPLKIRKYZMDBEB-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OC)c(I)c1[O-])C(C)(C)C ZINC001248498543 1035916185 /nfs/dbraw/zinc/91/61/85/1035916185.db2.gz FAQFAPYTCFPCGJ-UHFFFAOYSA-N 1 0 375.250 3.792 20 30 GHEDRO CSc1ccc(CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1C#N ZINC001248682241 1036049724 /nfs/dbraw/zinc/04/97/24/1036049724.db2.gz UIJZGSHAXAHMDR-UHFFFAOYSA-N 1 0 388.581 3.934 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 ZINC001248750468 1036108746 /nfs/dbraw/zinc/10/87/46/1036108746.db2.gz KSACXPPOZJVHNW-LOSJGSFVSA-N 1 0 387.527 3.885 20 30 GHEDRO N#Cc1c2c(cnc1-c1ccc(C(=O)N3CCCCC3)cc1Cl)C[NH2+]CCC2 ZINC001243489138 1036170704 /nfs/dbraw/zinc/17/07/04/1036170704.db2.gz OEXNKTBCCGZJNK-UHFFFAOYSA-N 1 0 394.906 3.936 20 30 GHEDRO CON(C)C(=O)c1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c(Cl)c1 ZINC001243533886 1036200982 /nfs/dbraw/zinc/20/09/82/1036200982.db2.gz ZFTOFROXSXOPQA-UHFFFAOYSA-N 1 0 399.878 3.643 20 30 GHEDRO N#C[C@H]1CC=C(c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)CC1 ZINC001243799596 1036282543 /nfs/dbraw/zinc/28/25/43/1036282543.db2.gz UXFJZBFCMOLPKZ-FUHWJXTLSA-N 1 0 375.476 3.903 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1Oc1ccccc1 ZINC001462092327 1069990289 /nfs/dbraw/zinc/99/02/89/1069990289.db2.gz UNRZDNWTXYSXFF-BHDDXSALSA-N 1 0 389.499 3.889 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc(CC#N)c(C(F)(F)F)c1 ZINC001244288580 1036463175 /nfs/dbraw/zinc/46/31/75/1036463175.db2.gz IQCTZVFIIZSSKR-UHFFFAOYSA-N 1 0 375.394 3.857 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(-c2cc(C#N)ccc2F)nc2ccccc21 ZINC001244555422 1036544824 /nfs/dbraw/zinc/54/48/24/1036544824.db2.gz RJKOLUGGLPILFR-UHFFFAOYSA-N 1 0 390.462 3.984 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC001462120462 1070011663 /nfs/dbraw/zinc/01/16/63/1070011663.db2.gz JZQHOTYEAQFEBQ-YLJYHZDGSA-N 1 0 393.506 3.859 20 30 GHEDRO C[NH+](C)CCCOc1ccc(-c2ccc(OC3CCOCC3)c(C#N)c2)cn1 ZINC001245307928 1036867942 /nfs/dbraw/zinc/86/79/42/1036867942.db2.gz SLHRDHXXLFGWTP-UHFFFAOYSA-N 1 0 381.476 3.509 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2ccc(OC3CCOCC3)c(C#N)c2)cc1F ZINC001245312578 1036872326 /nfs/dbraw/zinc/87/23/26/1036872326.db2.gz UAGFBXXEHBPTMP-UHFFFAOYSA-N 1 0 384.451 3.863 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC001245809987 1037009279 /nfs/dbraw/zinc/00/92/79/1037009279.db2.gz GXZDYANUCIEEBA-WBMJQRKESA-N 1 0 384.471 3.982 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001245914518 1037053597 /nfs/dbraw/zinc/05/35/97/1037053597.db2.gz MBRBMPCGRWWTBC-WOJBJXKFSA-N 1 0 376.529 3.709 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1 ZINC001246014589 1037132946 /nfs/dbraw/zinc/13/29/46/1037132946.db2.gz VPECEYVPFICHSC-FGZHOGPDSA-N 1 0 390.568 3.705 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC2(C1)CC[NH2+]C2 ZINC001246023335 1037141008 /nfs/dbraw/zinc/14/10/08/1037141008.db2.gz NABDMWDVNURRON-QFIPXVFZSA-N 1 0 398.632 3.597 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC(C)(C[NH3+])C1 ZINC001246037258 1037152039 /nfs/dbraw/zinc/15/20/39/1037152039.db2.gz UOZSZRIIRAGMPO-NRFANRHFSA-N 1 0 386.621 3.582 20 30 GHEDRO C[NH+](C)CCN(Cc1cccs1)Cc1cc(C#N)ccc1Br ZINC001462197409 1070074443 /nfs/dbraw/zinc/07/44/43/1070074443.db2.gz HXXFFQQSRIRRCD-UHFFFAOYSA-N 1 0 378.339 3.946 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001462219027 1070094283 /nfs/dbraw/zinc/09/42/83/1070094283.db2.gz JUANRKLZMFZJQY-UHFFFAOYSA-N 1 0 376.497 3.550 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232268813 1037991860 /nfs/dbraw/zinc/99/18/60/1037991860.db2.gz VJBOMSDVIJTRQR-WOJBJXKFSA-N 1 0 381.900 3.628 20 30 GHEDRO CSc1cc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cn1 ZINC001232345367 1038124537 /nfs/dbraw/zinc/12/45/37/1038124537.db2.gz CWVLTVQSXZFCLV-JOCHJYFZSA-N 1 0 392.528 3.613 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)ccc1OCC)C2 ZINC001232383421 1038161064 /nfs/dbraw/zinc/16/10/64/1038161064.db2.gz SYZSIILDFPRTMB-YADHBBJMSA-N 1 0 375.509 3.668 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccc(CF)n4)C3)C2)c1 ZINC001232535427 1038304531 /nfs/dbraw/zinc/30/45/31/1038304531.db2.gz SJIHWPOZPVBKED-QHCPKHFHSA-N 1 0 394.494 3.542 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c(C)s1 ZINC001277679130 1038307601 /nfs/dbraw/zinc/30/76/01/1038307601.db2.gz CSXSATAMBFVHBT-HZPDHXFCSA-N 1 0 383.355 3.960 20 30 GHEDRO C=CCCNC(=S)NCC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001247679281 1038314862 /nfs/dbraw/zinc/31/48/62/1038314862.db2.gz GRNNPBMSKOYJMH-UHFFFAOYSA-N 1 0 396.398 3.701 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc(OC)c1Br ZINC001232569650 1038338244 /nfs/dbraw/zinc/33/82/44/1038338244.db2.gz YZYBJVOABLQYPU-UHFFFAOYSA-N 1 0 375.266 3.970 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)nc3C)CC2)C1=O ZINC001277691282 1038412780 /nfs/dbraw/zinc/41/27/80/1038412780.db2.gz YGIBUMGXNXUMLU-IBGZPJMESA-N 1 0 392.341 3.543 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(C[C@@H]([NH3+])c2ccc(F)cc2)n1 ZINC001247845913 1038421075 /nfs/dbraw/zinc/42/10/75/1038421075.db2.gz TZVPYKRYZHAVLS-OAHLLOKOSA-N 1 0 387.212 3.752 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@H]3CCC4(CC[NH2+]CC4)O3)n2)cc1Cl ZINC001247848094 1038423308 /nfs/dbraw/zinc/42/33/08/1038423308.db2.gz ZFPNBWWRYNZEBJ-CQSZACIVSA-N 1 0 379.247 3.889 20 30 GHEDRO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccc1[O-])CC2 ZINC001232676875 1038474505 /nfs/dbraw/zinc/47/45/05/1038474505.db2.gz FCWDCYCVEIGBGQ-IBGZPJMESA-N 1 0 397.544 3.581 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc(C[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)n2)cc1 ZINC001247920110 1038495373 /nfs/dbraw/zinc/49/53/73/1038495373.db2.gz QXNLAHAANFSEOQ-DFQSSKMNSA-N 1 0 385.508 3.863 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)s1 ZINC001232842743 1038593453 /nfs/dbraw/zinc/59/34/53/1038593453.db2.gz DAGXPHMZFMYYLW-QFIPXVFZSA-N 1 0 388.496 3.751 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccc(C#N)s3)CC2)c2cc(C)ccc21 ZINC001232842797 1038593748 /nfs/dbraw/zinc/59/37/48/1038593748.db2.gz DWIITSQKDLGOOE-HXUWFJFHSA-N 1 0 394.544 3.836 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC001462293720 1070151000 /nfs/dbraw/zinc/15/10/00/1070151000.db2.gz IYBPCXUSGHLTNR-JOCHJYFZSA-N 1 0 387.882 3.918 20 30 GHEDRO COCCN(Cc1cc(F)ccc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232894045 1038683973 /nfs/dbraw/zinc/68/39/73/1038683973.db2.gz OGCAXWHWGZJSGI-LJQANCHMSA-N 1 0 391.487 3.545 20 30 GHEDRO C[N@H+](Cc1ccc(Br)c(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232896030 1038691929 /nfs/dbraw/zinc/69/19/29/1038691929.db2.gz YSUJSNDSVIYEMZ-OAHLLOKOSA-N 1 0 394.313 3.762 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)c(C#N)c1 ZINC001232965642 1038739605 /nfs/dbraw/zinc/73/96/05/1038739605.db2.gz CUTQGXXGYNIJFW-UHFFFAOYSA-N 1 0 388.515 3.780 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)s1 ZINC001252042383 1038827067 /nfs/dbraw/zinc/82/70/67/1038827067.db2.gz WUZAZLYKPOUPJB-HXUWFJFHSA-N 1 0 382.533 3.672 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001233081694 1038851352 /nfs/dbraw/zinc/85/13/52/1038851352.db2.gz LUORVNOWVMHFML-LJQANCHMSA-N 1 0 381.451 3.603 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001252126917 1038873487 /nfs/dbraw/zinc/87/34/87/1038873487.db2.gz UTMNHCWDGJRPKJ-WZYRSQIMSA-N 1 0 390.568 3.942 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001252127799 1038877072 /nfs/dbraw/zinc/87/70/72/1038877072.db2.gz FKDRVPGCXRYGDR-WJMWBRGCSA-N 1 0 376.541 3.575 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCOC[C@@H]2NC(=O)C(C)C)CC1 ZINC001252127744 1038878569 /nfs/dbraw/zinc/87/85/69/1038878569.db2.gz DSEUWMZPVGPQRR-RTWAWAEBSA-N 1 0 396.616 3.741 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(F)c1C#N ZINC001233101883 1038879699 /nfs/dbraw/zinc/87/96/99/1038879699.db2.gz IBOICLLZRBUKOV-XMMPIXPASA-N 1 0 392.522 3.861 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001252128095 1038880199 /nfs/dbraw/zinc/88/01/99/1038880199.db2.gz IMAVGWCFZWHUOJ-RTWAWAEBSA-N 1 0 387.568 3.631 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001252130854 1038883132 /nfs/dbraw/zinc/88/31/32/1038883132.db2.gz ZGRSOQAQVZZXKL-QGZVFWFLSA-N 1 0 388.478 3.729 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001252137513 1038886980 /nfs/dbraw/zinc/88/69/80/1038886980.db2.gz YBTMWBGDFGSINI-UAFMIMERSA-N 1 0 398.588 3.569 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3[nH]nc4cc(F)ccc43)C2)CC1 ZINC001233121634 1038907880 /nfs/dbraw/zinc/90/78/80/1038907880.db2.gz MMAQSYKVFWXYGF-UHFFFAOYSA-N 1 0 386.471 3.703 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)cnc1C ZINC001233164008 1038936267 /nfs/dbraw/zinc/93/62/67/1038936267.db2.gz PDMQLYIXNCHBMF-XMMPIXPASA-N 1 0 390.531 3.689 20 30 GHEDRO C[C@@](O)(C[NH2+]CCCC1CCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339732 1038946563 /nfs/dbraw/zinc/94/65/63/1038946563.db2.gz JMEHREXJCHIULT-LJQANCHMSA-N 1 0 397.441 3.827 20 30 GHEDRO C=CCOC[C@@H](O)C[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1 ZINC001252465256 1038998522 /nfs/dbraw/zinc/99/85/22/1038998522.db2.gz DOWRKFGAWRTVBT-QFIPXVFZSA-N 1 0 381.516 3.821 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001252582386 1039038344 /nfs/dbraw/zinc/03/83/44/1039038344.db2.gz QOEXHEBGIFBCQG-YJBOKZPZSA-N 1 0 399.329 3.542 20 30 GHEDRO C=CCC[C@H](O)C[NH2+][C@H](CC(=O)OC)c1ccc(OCc2ccccc2)cc1 ZINC001252617299 1039051049 /nfs/dbraw/zinc/05/10/49/1039051049.db2.gz CBBYDAFLRRXNED-RBBKRZOGSA-N 1 0 383.488 3.787 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(F)c(F)cc3N)CC2)C1 ZINC001233378603 1039203164 /nfs/dbraw/zinc/20/31/64/1039203164.db2.gz YSCDJEMJMXPHCA-UHFFFAOYSA-N 1 0 379.451 3.548 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(F)c(F)cc3N)C[C@@H]2c2ccccc2)C1=O ZINC001233379963 1039206664 /nfs/dbraw/zinc/20/66/64/1039206664.db2.gz YPMHRKJACXLMQV-JPYJTQIMSA-N 1 0 397.469 3.551 20 30 GHEDRO N#Cc1cc(Cl)cc(Cl)c1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252935753 1039274868 /nfs/dbraw/zinc/27/48/68/1039274868.db2.gz LKUGVOSWKKKOKC-IBGZPJMESA-N 1 0 376.287 3.914 20 30 GHEDRO CCCCCCCCCC[C@@H](O)CN1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001252980503 1039308587 /nfs/dbraw/zinc/30/85/87/1039308587.db2.gz UUZODHICOVWNLF-LEWJYISDSA-N 1 0 378.605 3.768 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453199 1039341430 /nfs/dbraw/zinc/34/14/30/1039341430.db2.gz YOEUQPORXNYJGQ-LJQANCHMSA-N 1 0 382.426 3.944 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C[C@@](C)(O)c3ccccc3)cc(C#N)c21 ZINC001253118806 1039435129 /nfs/dbraw/zinc/43/51/29/1039435129.db2.gz REXJGPFLZIDEHQ-WAIKUNEKSA-N 1 0 375.472 3.601 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(N2CCC(C(=O)OCC)CC2)CC1 ZINC001253235558 1039489297 /nfs/dbraw/zinc/48/92/97/1039489297.db2.gz LVSJQSRVJKBYFD-QFIPXVFZSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001253237176 1039492574 /nfs/dbraw/zinc/49/25/74/1039492574.db2.gz IRLSVQDZOCKGPD-JOCHJYFZSA-N 1 0 399.579 3.897 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001253237177 1039493198 /nfs/dbraw/zinc/49/31/98/1039493198.db2.gz IRLSVQDZOCKGPD-QFIPXVFZSA-N 1 0 399.579 3.897 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001253237956 1039494390 /nfs/dbraw/zinc/49/43/90/1039494390.db2.gz PGTQOJRCQSBHTQ-HXUWFJFHSA-N 1 0 398.551 3.950 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253247087 1039501191 /nfs/dbraw/zinc/50/11/91/1039501191.db2.gz WHTSRKJSBQBLAD-KNQAVFIVSA-N 1 0 398.588 3.616 20 30 GHEDRO CC#C[C@H](CC(=O)OC)c1ccc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)cc1 ZINC001233726765 1039570196 /nfs/dbraw/zinc/57/01/96/1039570196.db2.gz OSKSQWPEUBOGKV-SYYKKAFVSA-N 1 0 392.499 3.966 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cc1F ZINC001233741533 1039581920 /nfs/dbraw/zinc/58/19/20/1039581920.db2.gz QEIGGOFSRHBUJO-ONGXBYRLSA-N 1 0 399.897 3.973 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001253395938 1039598386 /nfs/dbraw/zinc/59/83/86/1039598386.db2.gz UAZTWXUEPRCUFU-DNVJHFABSA-N 1 0 388.515 3.742 20 30 GHEDRO C=CCCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1Br ZINC001253514672 1039685799 /nfs/dbraw/zinc/68/57/99/1039685799.db2.gz FOHOAOUURZAOTK-GFCCVEGCSA-N 1 0 393.119 3.507 20 30 GHEDRO C=C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC001253575456 1039708602 /nfs/dbraw/zinc/70/86/02/1039708602.db2.gz AMODIBBHDGXQCT-DSKINZAPSA-N 1 0 399.462 3.586 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610663 1039719968 /nfs/dbraw/zinc/71/99/68/1039719968.db2.gz VHGLYPBVJVLJRW-RBUKOAKNSA-N 1 0 378.488 3.650 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCc1cn[nH]c1 ZINC001253613889 1039723553 /nfs/dbraw/zinc/72/35/53/1039723553.db2.gz FULCEXWBSKKSQP-QFIPXVFZSA-N 1 0 397.604 3.857 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001253614550 1039725676 /nfs/dbraw/zinc/72/56/76/1039725676.db2.gz QJYQDUYSOMORAP-QFIPXVFZSA-N 1 0 397.604 3.788 20 30 GHEDRO COc1ccccc1/C=C/C(=O)c1ccccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001234090550 1039828336 /nfs/dbraw/zinc/82/83/36/1039828336.db2.gz UFFKAFBFFZZHRM-ZAAQOQLQSA-N 1 0 391.467 3.774 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@H](O)CNC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001254015118 1039954824 /nfs/dbraw/zinc/95/48/24/1039954824.db2.gz YCKVAOWSUMLBHH-MRXNPFEDSA-N 1 0 396.409 3.638 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@@H]2C[C@@]3(CCC[NH2+]3)CO2)cc1 ZINC001254064385 1039980269 /nfs/dbraw/zinc/98/02/69/1039980269.db2.gz MTNWHYYUICPWRZ-URXFXBBRSA-N 1 0 384.483 3.505 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@@H]2C[C@@]3(CO2)CCC[NH2+]C3)cc1 ZINC001254066059 1039980632 /nfs/dbraw/zinc/98/06/32/1039980632.db2.gz ACAHHHPYIFRJGS-DHLKQENFSA-N 1 0 398.510 3.752 20 30 GHEDRO C=CC[N@H+](C1CCCCC1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001254184075 1040032129 /nfs/dbraw/zinc/03/21/29/1040032129.db2.gz JLVUGMPEXDNSJX-UHFFFAOYSA-N 1 0 376.566 3.969 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001254352872 1040185103 /nfs/dbraw/zinc/18/51/03/1040185103.db2.gz HNJAPGIZFMZCFQ-UHFFFAOYSA-N 1 0 391.490 3.988 20 30 GHEDRO Cc1nccnc1O[C@H]1CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254358880 1040191444 /nfs/dbraw/zinc/19/14/44/1040191444.db2.gz BMCBLTXLDRHUBJ-FUHYEJFZSA-N 1 0 380.467 3.781 20 30 GHEDRO CCN1CCC2(CC[NH+](C3CCC(C#N)(c4ccc(F)cc4)CC3)CC2)C1=O ZINC001254359971 1040192965 /nfs/dbraw/zinc/19/29/65/1040192965.db2.gz RYRXVOJLVZJNMK-UHFFFAOYSA-N 1 0 383.511 3.864 20 30 GHEDRO C[C@H]1CC(=O)N(C)c2ccc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)cc21 ZINC001234842806 1040363627 /nfs/dbraw/zinc/36/36/27/1040363627.db2.gz LFVAQNBTXVUKEC-JXFKEZNVSA-N 1 0 375.472 3.682 20 30 GHEDRO CC(=O)O/N=C(/C)c1ccccc1O[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001234846395 1040366899 /nfs/dbraw/zinc/36/68/99/1040366899.db2.gz MMSUMCWQGBONTQ-YJINKZTCSA-N 1 0 381.476 3.973 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)C2 ZINC001254625590 1040401539 /nfs/dbraw/zinc/40/15/39/1040401539.db2.gz KPSQURPRWGHUIB-HSZRJFAPSA-N 1 0 385.527 3.828 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@@H]1CCc2nccn2C1 ZINC001234903056 1040417069 /nfs/dbraw/zinc/41/70/69/1040417069.db2.gz HTNZULNPQULPLF-GOSISDBHSA-N 1 0 398.466 3.705 20 30 GHEDRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)Oc2ccccc21 ZINC001254662217 1040424758 /nfs/dbraw/zinc/42/47/58/1040424758.db2.gz DBLWEQRDXKBJMM-QRVBRYPASA-N 1 0 381.520 3.558 20 30 GHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)C1 ZINC001254662422 1040425119 /nfs/dbraw/zinc/42/51/19/1040425119.db2.gz GMRWWVKKAGOPFO-CFLQYTFWSA-N 1 0 386.883 3.582 20 30 GHEDRO CCc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)n1 ZINC001235259239 1040741399 /nfs/dbraw/zinc/74/13/99/1040741399.db2.gz VVNUOQSARLDXGB-XMMPIXPASA-N 1 0 390.531 3.635 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CC[NH2+][C@@H]4C[C@@H]43)c2)cc1 ZINC001235295853 1040767876 /nfs/dbraw/zinc/76/78/76/1040767876.db2.gz VKPXVRFBBJFXTD-MOPGFXCFSA-N 1 0 384.277 3.659 20 30 GHEDRO CC[C@@H](CC#N)[NH+]1CCC2(C[C@H](COCC3CC3)N(C(=O)c3ccco3)C2)CC1 ZINC001255167961 1040883281 /nfs/dbraw/zinc/88/32/81/1040883281.db2.gz LEBJQOHUDZMWIC-VQTJNVASSA-N 1 0 399.535 3.695 20 30 GHEDRO C=CCN1C(=O)[C@]2(CC[N@@H+](Cc3cc(Br)co3)C2)c2ccccc21 ZINC001277946654 1040944560 /nfs/dbraw/zinc/94/45/60/1040944560.db2.gz BRYOPTFBGRYPBW-IBGZPJMESA-N 1 0 387.277 3.718 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC001235476413 1040952999 /nfs/dbraw/zinc/95/29/99/1040952999.db2.gz OHSGKZVEPDAHIN-JOCHJYFZSA-N 1 0 390.531 3.967 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)CC1 ZINC001235484129 1040956204 /nfs/dbraw/zinc/95/62/04/1040956204.db2.gz GSWJSFXJXRAITI-OAQYLSRUSA-N 1 0 393.535 3.581 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccccc3CC#N)CC2)c2ccccc21 ZINC001235516551 1040971733 /nfs/dbraw/zinc/97/17/33/1040971733.db2.gz HRTZVMZWMRQPLR-NRFANRHFSA-N 1 0 387.527 3.910 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC[C@@]2(CC(C(=O)Nc3ccccc3)=NO2)C1 ZINC001235517159 1040972243 /nfs/dbraw/zinc/97/22/43/1040972243.db2.gz JVZNOYPXGGOLLE-HSZRJFAPSA-N 1 0 388.471 3.502 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](C#N)(N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255385609 1040974508 /nfs/dbraw/zinc/97/45/08/1040974508.db2.gz IWZIHJAXMOKSAM-NZQKXSOJSA-N 1 0 398.551 3.534 20 30 GHEDRO COCC[N@H+](Cc1ccccc1CC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001235525135 1040975803 /nfs/dbraw/zinc/97/58/03/1040975803.db2.gz JUGPKZKBTDVJAO-HXUWFJFHSA-N 1 0 387.524 3.601 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)C1=O ZINC001235654582 1041102260 /nfs/dbraw/zinc/10/22/60/1041102260.db2.gz PGWVFAXXGHEPJS-IBGZPJMESA-N 1 0 395.453 3.674 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235758379 1041248325 /nfs/dbraw/zinc/24/83/25/1041248325.db2.gz FIQBDGUMNFBAJV-SFHVURJKSA-N 1 0 376.342 3.838 20 30 GHEDRO CC1(N2CCN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)CC[NH2+]CC1 ZINC001235816214 1041329856 /nfs/dbraw/zinc/32/98/56/1041329856.db2.gz RYGAMEHPDTWJKF-UHFFFAOYSA-N 1 0 390.531 3.610 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Cc1ccccc1CC#N ZINC001462540693 1070343834 /nfs/dbraw/zinc/34/38/34/1070343834.db2.gz PYQZXPZRIVYXIE-QHCPKHFHSA-N 1 0 375.516 3.808 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3ccc(COc4ccc(CC#N)cc4)cn3)cn2)CC1 ZINC001235968786 1041473839 /nfs/dbraw/zinc/47/38/39/1041473839.db2.gz SMOLYDPAMSJMBJ-UHFFFAOYSA-N 1 0 399.498 3.540 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCc3cccc(Br)c3C2)C1 ZINC001256138239 1041575340 /nfs/dbraw/zinc/57/53/40/1041575340.db2.gz BATUCQWGXHKMFO-JKSUJKDBSA-N 1 0 393.325 3.683 20 30 GHEDRO C[C@H](CC(=O)N1CCOCC1)[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001256350320 1041708377 /nfs/dbraw/zinc/70/83/77/1041708377.db2.gz UCAVAVUSNXANMW-WOJBJXKFSA-N 1 0 391.515 3.759 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)cc3c1OCCC3)C2 ZINC001236616696 1041783317 /nfs/dbraw/zinc/78/33/17/1041783317.db2.gz RBJPQHMHGYNNNQ-UNMCSNQZSA-N 1 0 375.484 3.724 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3sc(Br)cc3C)C2)C1=O ZINC001236823178 1041917429 /nfs/dbraw/zinc/91/74/29/1041917429.db2.gz GVWBONJSDZJUHL-QGZVFWFLSA-N 1 0 383.355 3.820 20 30 GHEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)c(Br)c2)cc1OC ZINC001236863656 1041933904 /nfs/dbraw/zinc/93/39/04/1041933904.db2.gz MIJAVMRWJRTEEC-UHFFFAOYSA-N 1 0 375.266 3.970 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OCC)cc3O)C2)CC1 ZINC001237040529 1042000735 /nfs/dbraw/zinc/00/07/35/1042000735.db2.gz FTSLGNXVNFDPFQ-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237137308 1042059235 /nfs/dbraw/zinc/05/92/35/1042059235.db2.gz NZQLAFQLHWXCKA-LJQANCHMSA-N 1 0 382.426 3.944 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3ccsc3Cl)C2)C1=O ZINC001278068764 1042092743 /nfs/dbraw/zinc/09/27/43/1042092743.db2.gz LZTQJMZUTZGLHP-GHTZIAJQSA-N 1 0 384.932 3.853 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC001237373622 1042176501 /nfs/dbraw/zinc/17/65/01/1042176501.db2.gz AEQLTRJIJCESCD-QFIPXVFZSA-N 1 0 381.476 3.952 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccccc1NC(=O)C(C)(C)C)C2 ZINC001237396869 1042189125 /nfs/dbraw/zinc/18/91/25/1042189125.db2.gz PHIMRWOLHWVPMD-XXBNENTESA-N 1 0 386.536 3.997 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c2cc(C#N)ccc21 ZINC001237467253 1042220211 /nfs/dbraw/zinc/22/02/11/1042220211.db2.gz PGSJRDJBRDNIEX-QFIPXVFZSA-N 1 0 390.512 3.740 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c2cc(C#N)ccc21 ZINC001237467382 1042220234 /nfs/dbraw/zinc/22/02/34/1042220234.db2.gz CPVBKMFPGQFNOW-JOCHJYFZSA-N 1 0 390.512 3.740 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c2cc(C#N)ccc21 ZINC001237467165 1042220256 /nfs/dbraw/zinc/22/02/56/1042220256.db2.gz ANVDXRKNYXMMHC-QFIPXVFZSA-N 1 0 398.510 3.688 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c2cc(C#N)ccc21 ZINC001237471898 1042223177 /nfs/dbraw/zinc/22/31/77/1042223177.db2.gz JXCFUIWDYJCEFT-IBGZPJMESA-N 1 0 385.471 3.672 20 30 GHEDRO CN(C[C@H]1CCC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12)C(=O)OC(C)(C)C ZINC001237473077 1042223928 /nfs/dbraw/zinc/22/39/28/1042223928.db2.gz RIUTULKMHASQGL-GOSISDBHSA-N 1 0 382.508 3.881 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237473569 1042224575 /nfs/dbraw/zinc/22/45/75/1042224575.db2.gz OBFPEUTUKKVJCL-ROUUACIJSA-N 1 0 394.519 3.739 20 30 GHEDRO C[N@@H+](Cc1cc(C#N)c(F)cc1F)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001237529263 1042252560 /nfs/dbraw/zinc/25/25/60/1042252560.db2.gz XZOYYAQGFWEXTB-UHFFFAOYSA-N 1 0 379.451 3.915 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cn2cc(C#N)ccc2n1 ZINC001237616711 1042283383 /nfs/dbraw/zinc/28/33/83/1042283383.db2.gz GEVPHODKDCSQBA-QRQLOZEOSA-N 1 0 380.492 3.681 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)c1 ZINC001237751329 1042353669 /nfs/dbraw/zinc/35/36/69/1042353669.db2.gz UOMHIDWAEFAWQX-FQEVSTJZSA-N 1 0 379.891 3.850 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(C#N)cc4Cl)C3)CC2=O)cc1 ZINC001238082683 1042485383 /nfs/dbraw/zinc/48/53/83/1042485383.db2.gz LPFBKPAINVIQFR-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO N#Cc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001238082153 1042485434 /nfs/dbraw/zinc/48/54/34/1042485434.db2.gz HXKFXEMDYDADNC-AZUAARDMSA-N 1 0 385.870 3.688 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(-c3cc[nH]n3)c1)[C@H]2CC ZINC001238200887 1042517732 /nfs/dbraw/zinc/51/77/32/1042517732.db2.gz XCXJEQNQFFIPOZ-GMAHTHKFSA-N 1 0 378.520 3.998 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NC[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]21 ZINC001238328629 1042558449 /nfs/dbraw/zinc/55/84/49/1042558449.db2.gz SMHNXPJFLCHXTH-XUVXKRRUSA-N 1 0 388.618 3.594 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)ncc1Cl)[C@@H]2CC ZINC001238354470 1042566780 /nfs/dbraw/zinc/56/67/80/1042566780.db2.gz RDDFKBKVFCKNKN-XLIONFOSSA-N 1 0 377.916 3.665 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001462630121 1070427935 /nfs/dbraw/zinc/42/79/35/1070427935.db2.gz PITDWDVKLLKORI-NFBKMPQASA-N 1 0 381.520 3.995 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(F)cc(C)cc3OC)C2)C1 ZINC001238581829 1042646416 /nfs/dbraw/zinc/64/64/16/1042646416.db2.gz CICUBSAVTBPAHQ-OAQYLSRUSA-N 1 0 376.472 3.753 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)ccc1C#N ZINC001238762664 1042718775 /nfs/dbraw/zinc/71/87/75/1042718775.db2.gz MYVXVOKVXFBAIN-UHFFFAOYSA-N 1 0 377.488 3.842 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)ccc1C#N ZINC001238764019 1042719325 /nfs/dbraw/zinc/71/93/25/1042719325.db2.gz YNBRPACSJHITTQ-XMMPIXPASA-N 1 0 388.515 3.530 20 30 GHEDRO CCc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)ccc1C#N ZINC001238773590 1042722048 /nfs/dbraw/zinc/72/20/48/1042722048.db2.gz ZYDLYASEOMAFLW-UHFFFAOYSA-N 1 0 387.487 3.778 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1C#N ZINC001238774238 1042722976 /nfs/dbraw/zinc/72/29/76/1042722976.db2.gz HWHAZUUYRVYHKR-DEOSSOPVSA-N 1 0 384.483 3.621 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)Nc1ccccc1OC(F)(F)F)C[NH2+]CC2 ZINC001239181745 1042781219 /nfs/dbraw/zinc/78/12/19/1042781219.db2.gz HQRVCOAUXJONFE-UHFFFAOYSA-N 1 0 382.367 3.808 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001239278754 1042800929 /nfs/dbraw/zinc/80/09/29/1042800929.db2.gz HVVOJOUJRLLSGF-JOCHJYFZSA-N 1 0 394.604 3.561 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])NC(=S)Nc1ccc(CCCC)cc1 ZINC001239379451 1042816989 /nfs/dbraw/zinc/81/69/89/1042816989.db2.gz SYUYCQVVTOSRBO-SFHVURJKSA-N 1 0 377.554 3.542 20 30 GHEDRO CN1CC[NH+](Cc2cccc(-c3ccccc3C3(C#N)CCOCC3)c2)CC1 ZINC001240304187 1042920308 /nfs/dbraw/zinc/92/03/08/1042920308.db2.gz XIGSHJHMAOOHEC-UHFFFAOYSA-N 1 0 375.516 3.673 20 30 GHEDRO CCOC(=O)c1cnc(-c2ccccc2)nc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240337971 1042921966 /nfs/dbraw/zinc/92/19/66/1042921966.db2.gz YMEMQXKARMTAQT-UHFFFAOYSA-N 1 0 384.439 3.546 20 30 GHEDRO COC(=O)c1ccc(N2CCCCC2)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240346032 1042922459 /nfs/dbraw/zinc/92/24/59/1042922459.db2.gz ZDJMTQXIJXZLFH-UHFFFAOYSA-N 1 0 375.472 3.689 20 30 GHEDRO Cc1c(C(=O)Nc2ccccc2C#N)cccc1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC001240488623 1042936262 /nfs/dbraw/zinc/93/62/62/1042936262.db2.gz DFRQUWNGDXEUGR-UHFFFAOYSA-N 1 0 397.482 3.591 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C)CC1 ZINC001291113649 1043085528 /nfs/dbraw/zinc/08/55/28/1043085528.db2.gz JLYSWETXFICTOS-SFHVURJKSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)[C@H]1C ZINC001291153465 1043112568 /nfs/dbraw/zinc/11/25/68/1043112568.db2.gz HEUQOXRFENDNJR-SJORKVTESA-N 1 0 378.524 3.536 20 30 GHEDRO CC1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001291182623 1043144697 /nfs/dbraw/zinc/14/46/97/1043144697.db2.gz SBYDSTMVEYRQAB-UHFFFAOYSA-N 1 0 395.555 3.525 20 30 GHEDRO CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001291736247 1043432537 /nfs/dbraw/zinc/43/25/37/1043432537.db2.gz FQVCUCVUHUQKLT-IBGZPJMESA-N 1 0 392.551 3.951 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001291768771 1043452985 /nfs/dbraw/zinc/45/29/85/1043452985.db2.gz ZQFGKNQYHNGUJQ-UWJYYQICSA-N 1 0 392.551 3.783 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)C2)CC1 ZINC001256536662 1043480989 /nfs/dbraw/zinc/48/09/89/1043480989.db2.gz IMFZFUXQSIVBAP-IFMALSPDSA-N 1 0 397.563 3.760 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256550666 1043514157 /nfs/dbraw/zinc/51/41/57/1043514157.db2.gz NDQRRFLDYUKUJV-XKCSPQBFSA-N 1 0 394.563 3.575 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCN(Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552002 1043516578 /nfs/dbraw/zinc/51/65/78/1043516578.db2.gz WTKIGOBMLMFCGC-CAUSLRQDSA-N 1 0 384.564 3.866 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@H](C[NH2+]C3CCC(C#N)CC3)O2)CC1 ZINC001256950448 1043769445 /nfs/dbraw/zinc/76/94/45/1043769445.db2.gz DTFWXOKYAVIZGI-DAWZGUTISA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)n1nc(CN(c2nccs2)C2CCC(C#N)CC2)c2c1C[NH2+]CC2 ZINC001256966261 1043775615 /nfs/dbraw/zinc/77/56/15/1043775615.db2.gz DYVMSQMWBDDJQZ-UHFFFAOYSA-N 1 0 384.553 3.655 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257011166 1043798692 /nfs/dbraw/zinc/79/86/92/1043798692.db2.gz WWULJNJVOOGYLY-YABDQXBESA-N 1 0 399.535 3.546 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257012978 1043799143 /nfs/dbraw/zinc/79/91/43/1043799143.db2.gz VBUCGJFZUHQVFK-XVAXZDLZSA-N 1 0 399.535 3.810 20 30 GHEDRO C=CCOC[C@H]1c2nnn(C)c2CCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016738 1043800083 /nfs/dbraw/zinc/80/00/83/1043800083.db2.gz HXEACZMGXQEIBK-AOMIVXANSA-N 1 0 391.519 3.515 20 30 GHEDRO CC(C)NC(=O)c1noc2c1C[N@@H+](C1CCC(c3ccc(C#N)cc3)CC1)CC2 ZINC001257020499 1043805435 /nfs/dbraw/zinc/80/54/35/1043805435.db2.gz GKHSSHAPMULJGA-UHFFFAOYSA-N 1 0 392.503 3.769 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccc(C(=O)OCC)cc1)C2 ZINC001257164856 1043910697 /nfs/dbraw/zinc/91/06/97/1043910697.db2.gz YYCUGNBSWLPBLJ-JZWVFAODSA-N 1 0 387.520 3.620 20 30 GHEDRO C#Cc1cccc(N(CC)C(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001292929059 1043949388 /nfs/dbraw/zinc/94/93/88/1043949388.db2.gz BASTUILWQRPIOP-UHFFFAOYSA-N 1 0 395.934 3.887 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC001292959301 1043966105 /nfs/dbraw/zinc/96/61/05/1043966105.db2.gz YDROVVIKFQYBBY-ZWKOTPCHSA-N 1 0 384.442 3.554 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@H](C)Cc3ccc(Br)cc3)C2)C1=O ZINC001257564612 1044048624 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IQWUPOKRAWIRMM-OBFZPWGMSA-N 1 0 376.541 3.532 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(CC(=O)OCC)CC1)CC2 ZINC001258032804 1044359314 /nfs/dbraw/zinc/35/93/14/1044359314.db2.gz LMKSOGNNIKDUBX-AJTFCVKESA-N 1 0 376.541 3.532 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001258044660 1044367299 /nfs/dbraw/zinc/36/72/99/1044367299.db2.gz SHJQWWUERXRVFE-VXSCBNMQSA-N 1 0 387.568 3.784 20 30 GHEDRO CCCCCCCCCCC[C@H](C)[NH2+]CCOCCOCCOCCO ZINC001258052275 1044372332 /nfs/dbraw/zinc/37/23/32/1044372332.db2.gz NUXDHWAPUYNSTP-NRFANRHFSA-N 1 0 375.594 3.928 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CCCC(F)(F)F)ccc1Cl ZINC001279076236 1044405243 /nfs/dbraw/zinc/40/52/43/1044405243.db2.gz BMDNDPYHMGIDJF-HOTGVXAUSA-N 1 0 385.817 3.843 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258141945 1044429115 /nfs/dbraw/zinc/42/91/15/1044429115.db2.gz QEHQEUSCYZIXNW-ZEQRLZLVSA-N 1 0 384.564 3.520 20 30 GHEDRO CN(C(=O)C(F)(F)c1ccccc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294512065 1044675798 /nfs/dbraw/zinc/67/57/98/1044675798.db2.gz WCIKEJDXTFIYSR-LJQANCHMSA-N 1 0 383.442 3.773 20 30 GHEDRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC(CC#N)CC1)c1ccsc1 ZINC001295390847 1044996910 /nfs/dbraw/zinc/99/69/10/1044996910.db2.gz BWBVTNWVFPLGQV-LJQANCHMSA-N 1 0 386.569 3.861 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(C2CC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001295559004 1045051567 /nfs/dbraw/zinc/05/15/67/1045051567.db2.gz CITVHWBZCZOTOB-QGZVFWFLSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2C)C[C@H]1C ZINC001296147299 1045264432 /nfs/dbraw/zinc/26/44/32/1045264432.db2.gz NLZWAOGFBJKFQP-UEXGIBASSA-N 1 0 392.551 3.783 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1CCC[NH+]1CCCC1 ZINC001298283969 1045762811 /nfs/dbraw/zinc/76/28/11/1045762811.db2.gz VTJOVYVSRRVNIM-UHFFFAOYSA-N 1 0 378.524 3.540 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001301086590 1046330388 /nfs/dbraw/zinc/33/03/88/1046330388.db2.gz XVJFGHOHYXVKKK-RBUKOAKNSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001301227905 1046416791 /nfs/dbraw/zinc/41/67/91/1046416791.db2.gz XGOVLHQGDBVOQQ-HZPDHXFCSA-N 1 0 388.585 3.519 20 30 GHEDRO C=CCCOCCn1c(CC(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001301258187 1046434883 /nfs/dbraw/zinc/43/48/83/1046434883.db2.gz MQZMJBTTWBJQJW-UHFFFAOYSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001301283453 1046453979 /nfs/dbraw/zinc/45/39/79/1046453979.db2.gz YPLIBZYALVWUPQ-IBGZPJMESA-N 1 0 390.535 3.990 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001301289345 1046456136 /nfs/dbraw/zinc/45/61/36/1046456136.db2.gz BHOWBJLKXQSOOC-UHFFFAOYSA-N 1 0 390.535 3.771 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001301295340 1046461170 /nfs/dbraw/zinc/46/11/70/1046461170.db2.gz IWCBFVLYEGELQV-PKOBYXMFSA-N 1 0 385.512 3.572 20 30 GHEDRO N#Cc1csc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)n1 ZINC001463088656 1070783617 /nfs/dbraw/zinc/78/36/17/1070783617.db2.gz ZBWXLJGNCCCSQH-VQTJNVASSA-N 1 0 394.544 3.569 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCCC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001301390553 1046522043 /nfs/dbraw/zinc/52/20/43/1046522043.db2.gz JRJQKEBYKHGMOU-OALUTQOASA-N 1 0 387.572 3.613 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001301394605 1046524021 /nfs/dbraw/zinc/52/40/21/1046524021.db2.gz PQMMHRSIWGGDLZ-SFHVURJKSA-N 1 0 385.581 3.841 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001301399262 1046526455 /nfs/dbraw/zinc/52/64/55/1046526455.db2.gz JMZHRWJAQXAEDL-HXUWFJFHSA-N 1 0 381.568 3.942 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263051495 1046535675 /nfs/dbraw/zinc/53/56/75/1046535675.db2.gz ZDAFIFKDKNIWFZ-AZUAARDMSA-N 1 0 380.540 3.664 20 30 GHEDRO C=CCSCCn1c([C@@H](C)CC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001301594374 1046613618 /nfs/dbraw/zinc/61/36/18/1046613618.db2.gz BBYLAXCDIPDJQQ-ROUUACIJSA-N 1 0 377.602 3.775 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001263306228 1046704884 /nfs/dbraw/zinc/70/48/84/1046704884.db2.gz SLNCTJBLTOUAQG-MOPGFXCFSA-N 1 0 387.572 3.590 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263345789 1046729228 /nfs/dbraw/zinc/72/92/28/1046729228.db2.gz XFQYZZDVLOIOAX-KRWDZBQOSA-N 1 0 377.602 3.633 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001263349582 1046733143 /nfs/dbraw/zinc/73/31/43/1046733143.db2.gz UWCUZQVZWJEJLS-HXUWFJFHSA-N 1 0 387.572 3.533 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC001263408712 1046791537 /nfs/dbraw/zinc/79/15/37/1046791537.db2.gz TVCXSRVMPVDGNN-UHFFFAOYSA-N 1 0 394.567 3.707 20 30 GHEDRO CC(C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001302563059 1046978847 /nfs/dbraw/zinc/97/88/47/1046978847.db2.gz QMCPUWVNZAYFEV-QUCCMNQESA-N 1 0 380.540 3.977 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001302737950 1047076869 /nfs/dbraw/zinc/07/68/69/1047076869.db2.gz SQPZTMKFMXUCIQ-RXVVDRJESA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)C[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001302820721 1047124186 /nfs/dbraw/zinc/12/41/86/1047124186.db2.gz FVMOWMZSQNAQBK-NRFANRHFSA-N 1 0 394.567 3.715 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC2)C1 ZINC001303172949 1047304023 /nfs/dbraw/zinc/30/40/23/1047304023.db2.gz NLQCQFNXKYCWIP-FQEVSTJZSA-N 1 0 392.551 3.785 20 30 GHEDRO COc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC001264529797 1047368454 /nfs/dbraw/zinc/36/84/54/1047368454.db2.gz YNTWYEFRMQZYOI-KRWDZBQOSA-N 1 0 377.488 3.871 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1C1CCC1)[NH+](C)C ZINC001303695802 1047483731 /nfs/dbraw/zinc/48/37/31/1047483731.db2.gz KRNZLZXTRQXDPT-JXFKEZNVSA-N 1 0 378.524 3.536 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1)[N@H+](C)C1CC1 ZINC001303701800 1047486574 /nfs/dbraw/zinc/48/65/74/1047486574.db2.gz VRTGKJCKXVAJFL-MRXNPFEDSA-N 1 0 396.514 3.697 20 30 GHEDRO C=CCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc(Cl)cn1 ZINC001279270990 1047752841 /nfs/dbraw/zinc/75/28/41/1047752841.db2.gz JWKJYKIGRNCBRE-OALUTQOASA-N 1 0 378.948 3.738 20 30 GHEDRO Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304812438 1047779288 /nfs/dbraw/zinc/77/92/88/1047779288.db2.gz RGZIFDWYRUTAJW-QFIPXVFZSA-N 1 0 392.551 3.728 20 30 GHEDRO N#Cc1ccc(Br)c(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c1 ZINC001279454405 1047815164 /nfs/dbraw/zinc/81/51/64/1047815164.db2.gz DCKNJRCSLOROLI-ROUUACIJSA-N 1 0 388.309 3.552 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001305050227 1047857161 /nfs/dbraw/zinc/85/71/61/1047857161.db2.gz VCRKXGYGGOHVDT-XXBNENTESA-N 1 0 398.599 3.873 20 30 GHEDRO CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001305074639 1047876153 /nfs/dbraw/zinc/87/61/53/1047876153.db2.gz XGJZHFLAJTYCCH-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO C=CCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1ccc(O)cc1O ZINC001279830061 1047962360 /nfs/dbraw/zinc/96/23/60/1047962360.db2.gz RNLRAKYTGSUFTE-MRXNPFEDSA-N 1 0 376.522 3.590 20 30 GHEDRO C=CCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1(C#N)CCC1 ZINC001279833492 1047963294 /nfs/dbraw/zinc/96/32/94/1047963294.db2.gz DWHDODBGKRBUBM-SFHVURJKSA-N 1 0 375.582 3.883 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2CCC3(C2)CC[NH+](Cc2scnc2Cl)CC3)C1 ZINC001280000486 1048036085 /nfs/dbraw/zinc/03/60/85/1048036085.db2.gz CVGQFZWDXYTCMO-HNNXBMFYSA-N 1 0 392.956 3.551 20 30 GHEDRO CSCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280279800 1048160262 /nfs/dbraw/zinc/16/02/62/1048160262.db2.gz YSWUXSRCLFVUKI-BFUOFWGJSA-N 1 0 375.563 3.512 20 30 GHEDRO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)C)[NH+]1CCCC1 ZINC001305815991 1048250439 /nfs/dbraw/zinc/25/04/39/1048250439.db2.gz YBLKALBJHPEVLJ-FQEVSTJZSA-N 1 0 380.540 3.783 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001286282708 1048252421 /nfs/dbraw/zinc/25/24/21/1048252421.db2.gz PGGIWESZCMXHIZ-DYESRHJHSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1 ZINC001286292414 1048258758 /nfs/dbraw/zinc/25/87/58/1048258758.db2.gz IEZDNPZIWUWPTB-PMACEKPBSA-N 1 0 387.572 3.634 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1 ZINC001286292417 1048258869 /nfs/dbraw/zinc/25/88/69/1048258869.db2.gz IEZDNPZIWUWPTB-WOJBJXKFSA-N 1 0 387.572 3.634 20 30 GHEDRO C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286339841 1048278229 /nfs/dbraw/zinc/27/82/29/1048278229.db2.gz QZUGBXSVGBAINO-UHFFFAOYSA-N 1 0 390.535 3.541 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001286377381 1048297134 /nfs/dbraw/zinc/29/71/34/1048297134.db2.gz WBFOIZMZDNMXFZ-UHFFFAOYSA-N 1 0 379.552 3.580 20 30 GHEDRO CCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001305920841 1048312891 /nfs/dbraw/zinc/31/28/91/1048312891.db2.gz VDPHRKRDMVHICL-FQEVSTJZSA-N 1 0 394.567 3.836 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001286428212 1048316747 /nfs/dbraw/zinc/31/67/47/1048316747.db2.gz QUGOVDXHBMPEIR-FQEVSTJZSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC)c1nnc(CC2CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001286448845 1048328464 /nfs/dbraw/zinc/32/84/64/1048328464.db2.gz BHBBRJPTFAJHRH-UHFFFAOYSA-N 1 0 379.552 3.579 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001286448000 1048328873 /nfs/dbraw/zinc/32/88/73/1048328873.db2.gz YFSZQKZSOPJUTJ-HXUWFJFHSA-N 1 0 399.970 3.856 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1([NH+](C)C)CCC1 ZINC001286450630 1048330160 /nfs/dbraw/zinc/33/01/60/1048330160.db2.gz FFECOLDFWCSYIY-FQEVSTJZSA-N 1 0 379.552 3.764 20 30 GHEDRO C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286500432 1048339881 /nfs/dbraw/zinc/33/98/81/1048339881.db2.gz XQKDBOVBACYEQV-RTBURBONSA-N 1 0 397.592 3.539 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001286519932 1048346733 /nfs/dbraw/zinc/34/67/33/1048346733.db2.gz PNDMHXAIVUQCPM-NZQKXSOJSA-N 1 0 396.583 3.642 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286588588 1048378943 /nfs/dbraw/zinc/37/89/43/1048378943.db2.gz VQTFKSOYQBLDRH-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286624187 1048394785 /nfs/dbraw/zinc/39/47/85/1048394785.db2.gz VPLQPEUAXJZMGJ-UHFFFAOYSA-N 1 0 389.931 3.673 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286654532 1048422686 /nfs/dbraw/zinc/42/26/86/1048422686.db2.gz KRTHSVCGHAICKZ-LJQANCHMSA-N 1 0 382.556 3.719 20 30 GHEDRO C=CCCOCCn1c([C@@H](C)CC)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286706107 1048464846 /nfs/dbraw/zinc/46/48/46/1048464846.db2.gz JYLKXPUCDXFJEK-MOPGFXCFSA-N 1 0 389.588 3.695 20 30 GHEDRO N#Cc1cc(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC001463343499 1070999321 /nfs/dbraw/zinc/99/93/21/1070999321.db2.gz OFTBOONXQMSWNW-GIVPXCGWSA-N 1 0 377.463 3.728 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001286720197 1048475805 /nfs/dbraw/zinc/47/58/05/1048475805.db2.gz QHVXWSXZFZOKJU-GOSISDBHSA-N 1 0 383.540 3.840 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286721614 1048478545 /nfs/dbraw/zinc/47/85/45/1048478545.db2.gz ZYHVHEPOPAFBDY-SFHVURJKSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2OC)n1CC(C)(C)[NH+]1CCCCC1 ZINC001286724342 1048480890 /nfs/dbraw/zinc/48/08/90/1048480890.db2.gz LITUXJILLOATQR-UHFFFAOYSA-N 1 0 397.567 3.764 20 30 GHEDRO C=CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)[NH+](C)C)C1CC1 ZINC001286734718 1048493725 /nfs/dbraw/zinc/49/37/25/1048493725.db2.gz VSCANGMVQLNLPU-GOSISDBHSA-N 1 0 379.552 3.853 20 30 GHEDRO C=CCN(c1nnc(CC)n1CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC001286735694 1048494791 /nfs/dbraw/zinc/49/47/91/1048494791.db2.gz KJQBNDPSRCFVEY-UHFFFAOYSA-N 1 0 385.581 3.969 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286753798 1048506448 /nfs/dbraw/zinc/50/64/48/1048506448.db2.gz KKBRIIFJWLKIGC-IBGZPJMESA-N 1 0 380.540 3.641 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001286754789 1048507284 /nfs/dbraw/zinc/50/72/84/1048507284.db2.gz GAFDXLRJLPXQCY-HXUWFJFHSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(CC)n1CC[NH+]1CCCCCC1 ZINC001286762804 1048515583 /nfs/dbraw/zinc/51/55/83/1048515583.db2.gz MWMVGNJEHPUAFH-UHFFFAOYSA-N 1 0 381.568 3.952 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001286964879 1048557471 /nfs/dbraw/zinc/55/74/71/1048557471.db2.gz FFIMNXKTCORNRR-SJORKVTESA-N 1 0 380.540 3.881 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286968211 1048560477 /nfs/dbraw/zinc/56/04/77/1048560477.db2.gz PGCZCCLVQQULQO-OTWHNJEPSA-N 1 0 388.604 3.831 20 30 GHEDRO CC(C)Cc1nnc(N(C)[C@H](C)CC#N)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001287349681 1048726342 /nfs/dbraw/zinc/72/63/42/1048726342.db2.gz QUIIDCJVVMKHRF-VAMGGRTRSA-N 1 0 388.604 3.973 20 30 GHEDRO CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001306573947 1048745897 /nfs/dbraw/zinc/74/58/97/1048745897.db2.gz JSDAYDVZRQBWNX-IAGOWNOFSA-N 1 0 380.540 3.924 20 30 GHEDRO CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001306703991 1048833305 /nfs/dbraw/zinc/83/33/05/1048833305.db2.gz QYCPCCQRFMMQQS-HXUWFJFHSA-N 1 0 378.524 3.681 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001287910820 1048943259 /nfs/dbraw/zinc/94/32/59/1048943259.db2.gz BUGKKBNYJIDULV-QUCCMNQESA-N 1 0 378.524 3.536 20 30 GHEDRO N#Cc1c(C#N)c(NCC[N@@H+]2CCc3ccccc3C2)nc2c1CCCCCC2 ZINC001306926313 1048962634 /nfs/dbraw/zinc/96/26/34/1048962634.db2.gz PZBVHKAYNOCZJQ-UHFFFAOYSA-N 1 0 385.515 3.954 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3c(C)cc(C#N)cc3C)cc2F)CC1 ZINC001288160291 1048996293 /nfs/dbraw/zinc/99/62/93/1048996293.db2.gz VWBAHDIIWOONIX-UHFFFAOYSA-N 1 0 394.494 3.637 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(CC)cc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001307032668 1049026697 /nfs/dbraw/zinc/02/66/97/1049026697.db2.gz VITISEMMAFLRBC-UYAOXDASSA-N 1 0 394.567 3.835 20 30 GHEDRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)c1cnc(C#N)c(C#N)n1 ZINC001307162901 1049112417 /nfs/dbraw/zinc/11/24/17/1049112417.db2.gz NSCQESHBQIOWIF-UHFFFAOYSA-N 1 0 382.899 3.612 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001288515379 1049121871 /nfs/dbraw/zinc/12/18/71/1049121871.db2.gz ZLXORPRNSDPRKG-GJZGRUSLSA-N 1 0 386.931 3.820 20 30 GHEDRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1cccc(C#N)c1)[N@H+](C)C1CC1 ZINC001288651298 1049182303 /nfs/dbraw/zinc/18/23/03/1049182303.db2.gz GYMIAFIKGPDIND-KRWDZBQOSA-N 1 0 394.567 3.857 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001288691523 1049200210 /nfs/dbraw/zinc/20/02/10/1049200210.db2.gz YOYCKYOEWKRLRD-GBESFXJTSA-N 1 0 392.551 3.641 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC001288691526 1049200702 /nfs/dbraw/zinc/20/07/02/1049200702.db2.gz YOYCKYOEWKRLRD-QYZOEREBSA-N 1 0 392.551 3.641 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCCC1 ZINC001288698362 1049203527 /nfs/dbraw/zinc/20/35/27/1049203527.db2.gz NLWNJKBDUAHCHB-GOSISDBHSA-N 1 0 395.555 3.525 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001307438717 1049274693 /nfs/dbraw/zinc/27/46/93/1049274693.db2.gz NCBUSYHVYJXIGH-NHCUHLMSSA-N 1 0 399.535 3.703 20 30 GHEDRO C#Cc1cccc(N(C)CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC001307457356 1049294071 /nfs/dbraw/zinc/29/40/71/1049294071.db2.gz DWACDOHZDXNAKQ-JOCHJYFZSA-N 1 0 395.934 3.711 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC001307503243 1049344956 /nfs/dbraw/zinc/34/49/56/1049344956.db2.gz GEVDWYXAENFNTR-QHCPKHFHSA-N 1 0 376.500 3.759 20 30 GHEDRO O=C(C[N@@H+]1CCCC12CCCCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307589665 1049428925 /nfs/dbraw/zinc/42/89/25/1049428925.db2.gz XIUTXRXHTGHIGB-UHFFFAOYSA-N 1 0 378.438 3.972 20 30 GHEDRO CCOC(=O)c1sc2ccccc2c1CN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001307600088 1049439465 /nfs/dbraw/zinc/43/94/65/1049439465.db2.gz XVRHKRFTNVXCQE-IRXDYDNUSA-N 1 0 397.544 3.888 20 30 GHEDRO C[C@@H](O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001307687633 1049506314 /nfs/dbraw/zinc/50/63/14/1049506314.db2.gz GEHZNYDIWZSDII-FSZRXZPDSA-N 1 0 389.565 3.554 20 30 GHEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 ZINC001307878036 1049660398 /nfs/dbraw/zinc/66/03/98/1049660398.db2.gz OPJUMUUZDHUPPT-FUHWJXTLSA-N 1 0 389.337 3.907 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(I)cc2)CCCC1 ZINC001307934280 1049706147 /nfs/dbraw/zinc/70/61/47/1049706147.db2.gz UHPRXKWRMNXKSE-UHFFFAOYSA-N 1 0 384.261 3.708 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001308116543 1049860660 /nfs/dbraw/zinc/86/06/60/1049860660.db2.gz GYIZHEFSFMUDRH-FQEVSTJZSA-N 1 0 397.906 3.875 20 30 GHEDRO Fc1cc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc(C(F)(F)F)c1 ZINC001308277252 1049934414 /nfs/dbraw/zinc/93/44/14/1049934414.db2.gz BKNSPNGDYZRARR-UHFFFAOYSA-N 1 0 382.283 3.855 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1OC ZINC001308306606 1049944497 /nfs/dbraw/zinc/94/44/97/1049944497.db2.gz XTZIHEHZGFQBSN-RTBURBONSA-N 1 0 394.943 3.646 20 30 GHEDRO C=C[C@@H](C)[NH2+]Cc1cc(I)c(Br)cc1F ZINC001308328701 1049949936 /nfs/dbraw/zinc/94/99/36/1049949936.db2.gz KEJOHXXNIYRSDY-SSDOTTSWSA-N 1 0 384.030 3.857 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC001308386532 1049964202 /nfs/dbraw/zinc/96/42/02/1049964202.db2.gz IDGRYIUQVCHYQC-MRXNPFEDSA-N 1 0 380.326 3.740 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001308611325 1050031673 /nfs/dbraw/zinc/03/16/73/1050031673.db2.gz GIOMJIXNGHFRGL-PKOBYXMFSA-N 1 0 399.535 3.574 20 30 GHEDRO C[C@@H]1C[C@H](C[NH+]2CCN(c3ccccc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001308660369 1050051294 /nfs/dbraw/zinc/05/12/94/1050051294.db2.gz MCKBYWQGWGEXKB-RTBURBONSA-N 1 0 398.551 3.716 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC001308888412 1050140810 /nfs/dbraw/zinc/14/08/10/1050140810.db2.gz PIAWMYUXIOXNMH-QRVBRYPASA-N 1 0 379.342 3.602 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(-c2ccc(F)cc2)n1 ZINC001308948894 1050210647 /nfs/dbraw/zinc/21/06/47/1050210647.db2.gz NMRWXDBIONPGHI-FQEVSTJZSA-N 1 0 390.466 3.569 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)C1 ZINC001327871989 1050306833 /nfs/dbraw/zinc/30/68/33/1050306833.db2.gz QMDPZTSVFZHDFD-INIZCTEOSA-N 1 0 386.521 3.699 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]([C@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058533 1050948342 /nfs/dbraw/zinc/94/83/42/1050948342.db2.gz BSEXACKRLKNCDP-RBUKOAKNSA-N 1 0 399.564 3.901 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cnc(-c2ccccc2)nc1)C(C)C ZINC001310157673 1051198504 /nfs/dbraw/zinc/19/85/04/1051198504.db2.gz DARVOKBQGIFWGR-FQEVSTJZSA-N 1 0 379.508 3.964 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC001310165110 1051202351 /nfs/dbraw/zinc/20/23/51/1051202351.db2.gz AVAPXMGSRZZNHK-GOSISDBHSA-N 1 0 392.503 3.937 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC001310546175 1051437098 /nfs/dbraw/zinc/43/70/98/1051437098.db2.gz UAWLZPCTJQVRIK-INIZCTEOSA-N 1 0 398.486 3.659 20 30 GHEDRO CCC(CC)[NH2+]CCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC001310722586 1051551409 /nfs/dbraw/zinc/55/14/09/1051551409.db2.gz PUSALPBOCGSPOP-UHFFFAOYSA-N 1 0 396.539 3.941 20 30 GHEDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC001310858012 1051657220 /nfs/dbraw/zinc/65/72/20/1051657220.db2.gz RYQCWZQEQTYHLN-ZDUSSCGKSA-N 1 0 381.933 3.786 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C ZINC001310960118 1051735586 /nfs/dbraw/zinc/73/55/86/1051735586.db2.gz FJSSPBVPOTYKMV-MRXNPFEDSA-N 1 0 381.480 3.906 20 30 GHEDRO COc1cc(NC(=O)NCc2ccc(-n3ccnc3C)c(F)c2)c(F)cc1C#N ZINC001311033644 1051790839 /nfs/dbraw/zinc/79/08/39/1051790839.db2.gz PJABOFNCQMVBSU-UHFFFAOYSA-N 1 0 397.385 3.661 20 30 GHEDRO N#C[C@@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC12CCCC2 ZINC001335229353 1052055374 /nfs/dbraw/zinc/05/53/74/1052055374.db2.gz WGWPAKUVANPRBE-OOICKAIWSA-N 1 0 377.532 3.877 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1)C(C)C ZINC001311388577 1052080046 /nfs/dbraw/zinc/08/00/46/1052080046.db2.gz OVVXXRNKMBOKJS-SXLOBPIMSA-N 1 0 391.581 3.918 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2ccc(OC)cc2CC1)C(C)C ZINC001311388997 1052081010 /nfs/dbraw/zinc/08/10/10/1052081010.db2.gz SUNDLIIKYCORJZ-QFIPXVFZSA-N 1 0 385.552 3.504 20 30 GHEDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001337160954 1052413152 /nfs/dbraw/zinc/41/31/52/1052413152.db2.gz YAOJCUBOBGGGTO-INIZCTEOSA-N 1 0 385.895 3.769 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)c(F)c1 ZINC001337221303 1052427368 /nfs/dbraw/zinc/42/73/68/1052427368.db2.gz NKMWDMZDOLJPNN-CYBMUJFWSA-N 1 0 397.841 3.826 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC001312853569 1052893223 /nfs/dbraw/zinc/89/32/23/1052893223.db2.gz VSAKLLZSFQDKNN-IFMALSPDSA-N 1 0 381.520 3.785 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC001312942972 1052917322 /nfs/dbraw/zinc/91/73/22/1052917322.db2.gz NQVOJEFVTDBAEK-HXUWFJFHSA-N 1 0 385.870 3.679 20 30 GHEDRO C#CCN1CCC[C@@H](NC(=O)NCc2cccc(Oc3ccccc3F)c2)C1 ZINC001312956399 1052920246 /nfs/dbraw/zinc/92/02/46/1052920246.db2.gz FNDNYGVZZLWBKB-GOSISDBHSA-N 1 0 381.451 3.515 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313135320 1052965666 /nfs/dbraw/zinc/96/56/66/1052965666.db2.gz CGMCMDXVWPVKBJ-OFNKIYASSA-N 1 0 375.516 3.600 20 30 GHEDRO Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1C#N ZINC001313268801 1053002277 /nfs/dbraw/zinc/00/22/77/1053002277.db2.gz YXQVJXUAQKEJOA-UHFFFAOYSA-N 1 0 376.504 3.593 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C)C1 ZINC001313449086 1053057836 /nfs/dbraw/zinc/05/78/36/1053057836.db2.gz UMHJOYHIBWACLI-RXVVDRJESA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCn1c([C@@H]2CCCN2C)nnc1N1Cc2ccc(Br)cc2C1 ZINC001342299667 1053086441 /nfs/dbraw/zinc/08/64/41/1053086441.db2.gz QPDXWEQNGQKXCY-INIZCTEOSA-N 1 0 388.313 3.514 20 30 GHEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCC(C)CC1)C(C)C ZINC001313590228 1053119622 /nfs/dbraw/zinc/11/96/22/1053119622.db2.gz OXDGBWOGFJUVBZ-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001313685515 1053169895 /nfs/dbraw/zinc/16/98/95/1053169895.db2.gz IMSURWLCMPCQTQ-SFHVURJKSA-N 1 0 378.480 3.559 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342512021 1053208636 /nfs/dbraw/zinc/20/86/36/1053208636.db2.gz WGVDGEYVFRATJT-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C)CC1)C(C)C ZINC001313804542 1053239394 /nfs/dbraw/zinc/23/93/94/1053239394.db2.gz BODCZLWAHSAMPF-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342770762 1053346200 /nfs/dbraw/zinc/34/62/00/1053346200.db2.gz FGWXCXMTJSKKRL-NWDGAFQWSA-N 1 0 398.322 3.658 20 30 GHEDRO N#Cc1ccc(N2CC[C@H](C(=O)Nc3cccc(C[NH+]4CCCC4)c3)C2)c(F)c1 ZINC001342836847 1053383949 /nfs/dbraw/zinc/38/39/49/1053383949.db2.gz ZPUIYWGMDKMOIH-IBGZPJMESA-N 1 0 392.478 3.758 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001342923500 1053437867 /nfs/dbraw/zinc/43/78/67/1053437867.db2.gz FKZMWKFIGJYONQ-UXHICEINSA-N 1 0 390.535 3.582 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C)C1CC1 ZINC001314647800 1053548503 /nfs/dbraw/zinc/54/85/03/1053548503.db2.gz FPLNXXZVCOWGTM-IBGZPJMESA-N 1 0 392.532 3.780 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(C2CCC2)nnc1N(CCC#N)CC1CC1)c1ccco1 ZINC001314650151 1053550403 /nfs/dbraw/zinc/55/04/03/1053550403.db2.gz QHPKBXBOLVAPGH-SFHVURJKSA-N 1 0 382.512 3.572 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314740118 1053583631 /nfs/dbraw/zinc/58/36/31/1053583631.db2.gz NCHQXHPEQYJCJT-UHFFFAOYSA-N 1 0 392.551 3.786 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C[C@@H]2C1 ZINC001343514957 1053833362 /nfs/dbraw/zinc/83/33/62/1053833362.db2.gz NBZCWCDKZRZZHC-HSALFYBXSA-N 1 0 390.487 3.548 20 30 GHEDRO C#CC[C@@H](CC)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cccs1 ZINC001343543681 1053859457 /nfs/dbraw/zinc/85/94/57/1053859457.db2.gz KXYFUGJTGYWTJB-QGZVFWFLSA-N 1 0 385.581 3.872 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)cc1 ZINC001343960301 1054145796 /nfs/dbraw/zinc/14/57/96/1054145796.db2.gz WRDAIKUAODJSQT-UHFFFAOYSA-N 1 0 378.398 3.662 20 30 GHEDRO Cc1cccc2[nH]c([C@@H](C#N)C(=O)C=Cc3ccc(OCC[NH+](C)C)cc3)nc21 ZINC001343980732 1054157823 /nfs/dbraw/zinc/15/78/23/1054157823.db2.gz YWTZGFBCSSKDRK-DLENHJPASA-N 1 0 388.471 3.701 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CCCCC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001344016769 1054189419 /nfs/dbraw/zinc/18/94/19/1054189419.db2.gz KJXSCOCBWRGKEH-SFHVURJKSA-N 1 0 377.577 3.779 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001318771849 1054862865 /nfs/dbraw/zinc/86/28/65/1054862865.db2.gz RTHOHRRFSSQBNC-RBUKOAKNSA-N 1 0 382.533 3.959 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319482104 1055273714 /nfs/dbraw/zinc/27/37/14/1055273714.db2.gz QRPHVMTVRMRQBF-TZIWHRDSSA-N 1 0 383.467 3.635 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)C2=O)cc1 ZINC001320159385 1055681333 /nfs/dbraw/zinc/68/13/33/1055681333.db2.gz OKMHNRYLSJPVKI-PGRDOPGGSA-N 1 0 399.498 3.810 20 30 GHEDRO C=C[C@@H](COC)NC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001320304427 1055745802 /nfs/dbraw/zinc/74/58/02/1055745802.db2.gz YPWZWEDHOSWXHY-FPOVZHCZSA-N 1 0 389.540 3.789 20 30 GHEDRO C=CC[C@H]1NC(=O)N(C[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)C1=O ZINC001320753701 1055950353 /nfs/dbraw/zinc/95/03/53/1055950353.db2.gz DEDVPXWDVJYWQN-CVEARBPZSA-N 1 0 383.414 3.585 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1ccc(C#N)cn1 ZINC001320915750 1056013442 /nfs/dbraw/zinc/01/34/42/1056013442.db2.gz KXCUZAYMMTXLOH-QGZVFWFLSA-N 1 0 379.460 3.563 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001321274030 1056203745 /nfs/dbraw/zinc/20/37/45/1056203745.db2.gz PYMFKSIHURJCEN-UHFFFAOYSA-N 1 0 398.511 3.740 20 30 GHEDRO Cn1cc(-c2ccc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)cn1 ZINC001322403540 1056679480 /nfs/dbraw/zinc/67/94/80/1056679480.db2.gz GMEPMQOEYRHHTF-UHFFFAOYSA-N 1 0 399.498 3.809 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001300619323 1056685797 /nfs/dbraw/zinc/68/57/97/1056685797.db2.gz VWCHPFBPKAHNJT-FQEVSTJZSA-N 1 0 394.567 3.763 20 30 GHEDRO N#CCOc1cccc(C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC001324372007 1057122023 /nfs/dbraw/zinc/12/20/23/1057122023.db2.gz SHSVFAXDKZCEJF-UHFFFAOYSA-N 1 0 393.487 3.727 20 30 GHEDRO N#CCOc1ccc(Cl)cc1COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848775114 1057296646 /nfs/dbraw/zinc/29/66/46/1057296646.db2.gz VWTUYVWJFGDBLZ-QGZVFWFLSA-N 1 0 384.863 3.808 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nnc1[C@@]12CCC=C1OCC2 ZINC001355957476 1057333347 /nfs/dbraw/zinc/33/33/47/1057333347.db2.gz GMMZQVCOYRYOGJ-FDDCHVKYSA-N 1 0 397.567 3.501 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)c(Br)c(C)n2)CC1 ZINC001325790797 1057364952 /nfs/dbraw/zinc/36/49/52/1057364952.db2.gz UHAVYJONHVTBPY-UHFFFAOYSA-N 1 0 381.318 3.623 20 30 GHEDRO Cc1ccc(CN2CCN(Cc3nnc(-c4cccc(C#N)c4C)o3)CC2)cc1 ZINC001325807944 1057367690 /nfs/dbraw/zinc/36/76/90/1057367690.db2.gz XDSDXJYGUKUBEG-UHFFFAOYSA-N 1 0 387.487 3.543 20 30 GHEDRO C=CCn1c(C2CCN(CCC#N)CC2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001356082364 1057381864 /nfs/dbraw/zinc/38/18/64/1057381864.db2.gz CRPUZVJBURJLNV-OAQYLSRUSA-N 1 0 390.535 3.899 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001356093562 1057387078 /nfs/dbraw/zinc/38/70/78/1057387078.db2.gz BEYPHXHYUGGKKL-KRWDZBQOSA-N 1 0 381.515 3.924 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC1CC(C#N)(c2ccccc2)C1 ZINC001326056475 1057405497 /nfs/dbraw/zinc/40/54/97/1057405497.db2.gz XRQIOUQRWXOOHW-UHFFFAOYSA-N 1 0 390.531 3.873 20 30 GHEDRO C[N@@H+]1CC[C@H](Nc2ncc(Br)cc2C#N)[C@@H]1c1ccc(F)cc1 ZINC001326492903 1057496167 /nfs/dbraw/zinc/49/61/67/1057496167.db2.gz SKMRYRFFDLFKBB-HOTGVXAUSA-N 1 0 375.245 3.712 20 30 GHEDRO CNC(NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)=[NH+]C ZINC000849016974 1057524212 /nfs/dbraw/zinc/52/42/12/1057524212.db2.gz VHUCFSWAGZOFFR-INIZCTEOSA-N 1 0 397.375 3.949 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001356555780 1057547229 /nfs/dbraw/zinc/54/72/29/1057547229.db2.gz BHMFIRONPXETDS-MSYCTHLASA-N 1 0 392.551 3.574 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2ccc(Br)cc2)CC1 ZINC001326776195 1057555747 /nfs/dbraw/zinc/55/57/47/1057555747.db2.gz KIQVKLADAISMBV-UHFFFAOYSA-N 1 0 383.355 3.698 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001356618413 1057574507 /nfs/dbraw/zinc/57/45/07/1057574507.db2.gz MHSCIXSCSJBKTI-YUXAGFNASA-N 1 0 382.556 3.574 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001338790864 1058787606 /nfs/dbraw/zinc/78/76/06/1058787606.db2.gz SZGZQQBGBNDVJB-UHFFFAOYSA-N 1 0 398.555 3.766 20 30 GHEDRO C#CCN(CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)OC(C)(C)C ZINC001441957128 1058895653 /nfs/dbraw/zinc/89/56/53/1058895653.db2.gz HKZDPICOVUQYDC-UHFFFAOYSA-N 1 0 399.535 3.524 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001338995727 1058919073 /nfs/dbraw/zinc/91/90/73/1058919073.db2.gz SGGLFARQPCISAG-XLAORIBOSA-N 1 0 375.561 3.507 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1Cc2ccccc2[C@@H]1C ZINC001339131934 1058973522 /nfs/dbraw/zinc/97/35/22/1058973522.db2.gz WMVGDBKAUHQSAB-KOQQBVACSA-N 1 0 377.536 3.961 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001339135559 1058975524 /nfs/dbraw/zinc/97/55/24/1058975524.db2.gz MOTBBZCGLNTHBH-NJYVYQBISA-N 1 0 377.536 3.513 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC001443637108 1059164876 /nfs/dbraw/zinc/16/48/76/1059164876.db2.gz YKIRCPSYWJLBGT-UHFFFAOYSA-N 1 0 381.520 3.802 20 30 GHEDRO N#CCCn1cc(C[NH2+]C2CCC3(CCOCC3)CC2)c(-c2ccncc2)n1 ZINC001339458230 1059229866 /nfs/dbraw/zinc/22/98/66/1059229866.db2.gz GQYRZNUAWCLZKN-UHFFFAOYSA-N 1 0 379.508 3.688 20 30 GHEDRO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001340505859 1059954567 /nfs/dbraw/zinc/95/45/67/1059954567.db2.gz JRAZLFSNRANMDJ-QGZVFWFLSA-N 1 0 379.499 3.822 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CCC(C)([NH+]3CCCC3)CC2)n1Cc1ccccc1 ZINC001340678723 1060042295 /nfs/dbraw/zinc/04/22/95/1060042295.db2.gz VLXXIUJIXGNBCP-UHFFFAOYSA-N 1 0 392.551 3.582 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)cc1OC ZINC001449891382 1060477696 /nfs/dbraw/zinc/47/76/96/1060477696.db2.gz IMTAQQQOMRYMAL-LUAWRHEFSA-N 1 0 384.520 3.750 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC001450279157 1060569348 /nfs/dbraw/zinc/56/93/48/1060569348.db2.gz XASDRYCJWRNIFN-MSOLQXFVSA-N 1 0 375.310 3.647 20 30 GHEDRO C=CCC[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001546026001 1060680306 /nfs/dbraw/zinc/68/03/06/1060680306.db2.gz ZJPNMHTWXYHQNN-LJQANCHMSA-N 1 0 396.453 3.940 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)CCC#N)n2Cc2ccccc2)CC1 ZINC001341881755 1060934484 /nfs/dbraw/zinc/93/44/84/1060934484.db2.gz HFEPZLNSVSJCRE-IBGZPJMESA-N 1 0 380.540 3.654 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)C1 ZINC001341986989 1060983216 /nfs/dbraw/zinc/98/32/16/1060983216.db2.gz BRHDPWMFQLHEIG-HXUWFJFHSA-N 1 0 394.567 3.587 20 30 GHEDRO CON=Cc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)cc1 ZINC001452769617 1061007978 /nfs/dbraw/zinc/00/79/78/1061007978.db2.gz JHVROTYOWKWFAH-IPMKNSEASA-N 1 0 379.504 3.790 20 30 GHEDRO C=C(C)Cn1c([C@H](C)C(C)(C)O)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001342120881 1061068031 /nfs/dbraw/zinc/06/80/31/1061068031.db2.gz GHZRUYGDLDQAHV-OALUTQOASA-N 1 0 397.567 3.612 20 30 GHEDRO C=CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC001342227115 1061155803 /nfs/dbraw/zinc/15/58/03/1061155803.db2.gz AHILBZFJOIUQNJ-QFIPXVFZSA-N 1 0 380.488 3.871 20 30 GHEDRO C=CCCCN(CC)c1nnc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1CC1CC1 ZINC001345939403 1061224095 /nfs/dbraw/zinc/22/40/95/1061224095.db2.gz LNXHDSNIHOQAAA-FQEVSTJZSA-N 1 0 387.572 3.797 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(CCCCC#N)n2Cc2cccs2)CC1 ZINC001345984896 1061263515 /nfs/dbraw/zinc/26/35/15/1061263515.db2.gz WAAIKYIAYAJTQO-UHFFFAOYSA-N 1 0 386.569 3.545 20 30 GHEDRO Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc2c[nH+]cn21 ZINC001346065020 1061333728 /nfs/dbraw/zinc/33/37/28/1061333728.db2.gz MFWLGVAZKHFMCA-MRXNPFEDSA-N 1 0 387.226 3.911 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+](CC)CC)CC2)nnc1C1(OCC)CCC1 ZINC001346239714 1061471217 /nfs/dbraw/zinc/47/12/17/1061471217.db2.gz NPEWZASVPATFIL-UHFFFAOYSA-N 1 0 375.561 3.581 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2CC2CC2)CC1 ZINC001346496357 1061611834 /nfs/dbraw/zinc/61/18/34/1061611834.db2.gz LTJOFYZSTFJMRZ-JRGCBEDISA-N 1 0 396.583 3.796 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2([NH+](C)C)CCCC2)o1 ZINC001361212073 1061724751 /nfs/dbraw/zinc/72/47/51/1061724751.db2.gz GTUQQAWSOHMYDF-NRFANRHFSA-N 1 0 396.539 3.851 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(C(C)(C)CC#N)n3CC3CC3)C2)CC1 ZINC001346611295 1061729358 /nfs/dbraw/zinc/72/93/58/1061729358.db2.gz OPORGXGPYVKHPR-HXUWFJFHSA-N 1 0 398.599 3.828 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CCC(C2CCOCC2)CC1 ZINC001346627305 1061744451 /nfs/dbraw/zinc/74/44/51/1061744451.db2.gz KTVVFKZPQORKSE-HXUWFJFHSA-N 1 0 387.572 3.654 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2OC)[NH+]2CCCCC2)cc1 ZINC001348279934 1062977454 /nfs/dbraw/zinc/97/74/54/1062977454.db2.gz DFBPXJBLYRHCHF-OAQYLSRUSA-N 1 0 393.487 3.532 20 30 GHEDRO C=C(C)CCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436606267 1063564581 /nfs/dbraw/zinc/56/45/81/1063564581.db2.gz UZFMXWPFSTVDQG-UHFFFAOYSA-N 1 0 375.944 3.809 20 30 GHEDRO N#Cc1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1Br ZINC001458107020 1063571326 /nfs/dbraw/zinc/57/13/26/1063571326.db2.gz BFAKXGNQTUSFQJ-AWEZNQCLSA-N 1 0 382.277 3.515 20 30 GHEDRO N#Cc1cc(NCC2([NH+]3CCSCC3)CCCCC2)ncc1Br ZINC001458177466 1063632478 /nfs/dbraw/zinc/63/24/78/1063632478.db2.gz ZDGVZADLPCIOER-UHFFFAOYSA-N 1 0 395.370 3.879 20 30 GHEDRO N#Cc1cncc(N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC001458240271 1063686477 /nfs/dbraw/zinc/68/64/77/1063686477.db2.gz XXZRVRNDYJKWDB-UHFFFAOYSA-N 1 0 376.291 3.757 20 30 GHEDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001349870129 1063930519 /nfs/dbraw/zinc/93/05/19/1063930519.db2.gz SAXWWJHNTYKKML-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CC2)c1C#N ZINC001459438847 1064099308 /nfs/dbraw/zinc/09/93/08/1064099308.db2.gz KRCZLECBMICRKO-FQEVSTJZSA-N 1 0 380.467 3.918 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1C#N ZINC001459554117 1064125801 /nfs/dbraw/zinc/12/58/01/1064125801.db2.gz ZOBFULCMQCVUQK-KDURUIRLSA-N 1 0 380.467 3.631 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCC(CN4C(=O)c5ccccc5C4=O)CC3)cc2)CC1 ZINC001350613584 1064141805 /nfs/dbraw/zinc/14/18/05/1064141805.db2.gz XJNPFFPVGFDYJY-UHFFFAOYSA-N 1 0 399.494 3.750 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CCC)[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC001459748026 1064198860 /nfs/dbraw/zinc/19/88/60/1064198860.db2.gz LWJPBHZRCLGKSJ-GOSISDBHSA-N 1 0 377.488 3.736 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC001459880777 1064254993 /nfs/dbraw/zinc/25/49/93/1064254993.db2.gz FNOBDDBVIJXUPE-SESVDKBCSA-N 1 0 385.552 3.668 20 30 GHEDRO C=CCn1c(-c2nc3cc(Cl)ccc3[nH]2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001351929448 1064712516 /nfs/dbraw/zinc/71/25/16/1064712516.db2.gz RPOKHDQRRFHPAX-UHFFFAOYSA-N 1 0 399.930 3.628 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001351980563 1064745311 /nfs/dbraw/zinc/74/53/11/1064745311.db2.gz HSZFSBHUCXSACZ-LVCYWYKZSA-N 1 0 399.489 3.512 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1[C@]1(C)CCC=CO1 ZINC001351981710 1064746017 /nfs/dbraw/zinc/74/60/17/1064746017.db2.gz SEPNEMGXDARTIL-NRFANRHFSA-N 1 0 385.556 3.848 20 30 GHEDRO CC(C)[NH+]1CCN(CCC(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC001463980834 1064751443 /nfs/dbraw/zinc/75/14/43/1064751443.db2.gz KFBACNHZJTXXSK-UHFFFAOYSA-N 1 0 381.545 3.503 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC001352149965 1064885602 /nfs/dbraw/zinc/88/56/02/1064885602.db2.gz FSTDNTBXNIGZAK-NLWGTHIKSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001352181460 1064911837 /nfs/dbraw/zinc/91/18/37/1064911837.db2.gz QGZDVQMORXJCPD-UHFFFAOYSA-N 1 0 396.539 3.760 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC001464580368 1065093732 /nfs/dbraw/zinc/09/37/32/1065093732.db2.gz BXIVBIAPBULIEB-QHCPKHFHSA-N 1 0 376.500 3.964 20 30 GHEDRO CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001352635873 1065194052 /nfs/dbraw/zinc/19/40/52/1065194052.db2.gz ANEPACOGXCJFSU-NFBKMPQASA-N 1 0 392.551 3.808 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(C)C ZINC001464867521 1065251521 /nfs/dbraw/zinc/25/15/21/1065251521.db2.gz BWUDKTWSGUXTBP-HKUYNNGSSA-N 1 0 376.928 3.706 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(Br)cc1O)C(C)C ZINC001464871408 1065253124 /nfs/dbraw/zinc/25/31/24/1065253124.db2.gz OXRXKVYJCMMAGK-MRXNPFEDSA-N 1 0 381.314 3.583 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1c2ccccc2C(=O)OC1(C)C)C(C)C ZINC001464872600 1065254376 /nfs/dbraw/zinc/25/43/76/1065254376.db2.gz SGEUMXJOJDAGII-VQTJNVASSA-N 1 0 384.520 3.534 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001465666445 1065781007 /nfs/dbraw/zinc/78/10/07/1065781007.db2.gz XTEJZAPVCRDGRI-IBGZPJMESA-N 1 0 393.572 3.759 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC001200292755 1065834567 /nfs/dbraw/zinc/83/45/67/1065834567.db2.gz KBAQVKDVHCGCIN-JOCHJYFZSA-N 1 0 383.923 3.992 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300270755 1065895867 /nfs/dbraw/zinc/89/58/67/1065895867.db2.gz FAUDESISEWBEGG-DYXWJJEUSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001300275489 1065906155 /nfs/dbraw/zinc/90/61/55/1065906155.db2.gz VIIRHTOPWPADED-JQVVWYNYSA-N 1 0 391.563 3.762 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001300280421 1065915517 /nfs/dbraw/zinc/91/55/17/1065915517.db2.gz DFISUASXZAQVMG-KXBFYZLASA-N 1 0 395.482 3.746 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300282743 1065920467 /nfs/dbraw/zinc/92/04/67/1065920467.db2.gz IXEMGYVNJNBHQZ-QZTJIDSGSA-N 1 0 391.519 3.881 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001465947897 1065934039 /nfs/dbraw/zinc/93/40/39/1065934039.db2.gz LZEMYOFBVZVRRU-UHFFFAOYSA-N 1 0 379.460 3.684 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300296163 1065947178 /nfs/dbraw/zinc/94/71/78/1065947178.db2.gz SYDLFXSAGUYVFP-MJGOQNOKSA-N 1 0 380.540 3.528 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001300319509 1065982663 /nfs/dbraw/zinc/98/26/63/1065982663.db2.gz BUKMVALZLXYNPS-VQTJNVASSA-N 1 0 397.567 3.662 20 30 GHEDRO COc1ccccc1CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745085 1066013497 /nfs/dbraw/zinc/01/34/97/1066013497.db2.gz AVNYECBOEGNBGL-UHFFFAOYSA-N 1 0 378.472 3.587 20 30 GHEDRO C/C(=C/c1ccncc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746491 1066014782 /nfs/dbraw/zinc/01/47/82/1066014782.db2.gz JPOJXDOVTFAUTC-CYVLTUHYSA-N 1 0 375.472 3.834 20 30 GHEDRO CC(=O)Nc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000847745792 1066020823 /nfs/dbraw/zinc/02/08/23/1066020823.db2.gz PMSZYAJFBLSONE-UHFFFAOYSA-N 1 0 391.471 3.608 20 30 GHEDRO CC(C)(C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000847747667 1066022089 /nfs/dbraw/zinc/02/20/89/1066022089.db2.gz MNOCJDSWZXECGU-UHFFFAOYSA-N 1 0 377.488 3.708 20 30 GHEDRO C[C@@H]1CCCC[C@H]1OCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748537 1066027866 /nfs/dbraw/zinc/02/78/66/1066027866.db2.gz CABQYZDZRVFULQ-TZIWHRDSSA-N 1 0 384.520 3.931 20 30 GHEDRO CO[C@H]1CCC[C@@H](CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847747711 1066033511 /nfs/dbraw/zinc/03/35/11/1066033511.db2.gz OEMKINYULCHABF-RTWAWAEBSA-N 1 0 384.520 3.931 20 30 GHEDRO N#CCOc1ccccc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847749486 1066034581 /nfs/dbraw/zinc/03/45/81/1066034581.db2.gz RJLMGJXQCHMRBY-UHFFFAOYSA-N 1 0 389.455 3.552 20 30 GHEDRO C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001300392278 1066197523 /nfs/dbraw/zinc/19/75/23/1066197523.db2.gz QFMWTHKOXUWHLG-JOCHJYFZSA-N 1 0 391.563 3.986 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C(=O)OCC ZINC001466783422 1066313682 /nfs/dbraw/zinc/31/36/82/1066313682.db2.gz MUZRIEYUEOGAST-BHDDXSALSA-N 1 0 398.547 3.549 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1nc(Cl)c(C#N)s1)c1ccccc1 ZINC001466806244 1066326807 /nfs/dbraw/zinc/32/68/07/1066326807.db2.gz NFEPYPFKVHJWSA-LLVKDONJSA-N 1 0 377.901 3.919 20 30 GHEDRO C=CC[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC001467648360 1067400262 /nfs/dbraw/zinc/40/02/62/1067400262.db2.gz SNMGJMQZMFRFJA-NRFANRHFSA-N 1 0 384.568 3.505 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CCCCC1 ZINC001473825441 1067576787 /nfs/dbraw/zinc/57/67/87/1067576787.db2.gz RNZMTAZDVBHPCR-UHFFFAOYSA-N 1 0 379.504 3.600 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001358871702 1067588683 /nfs/dbraw/zinc/58/86/83/1067588683.db2.gz JDRNZUYDXANFNR-GOSISDBHSA-N 1 0 379.552 3.696 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001358878935 1067592114 /nfs/dbraw/zinc/59/21/14/1067592114.db2.gz IGGWNSNFBYMTOB-FUHWJXTLSA-N 1 0 395.507 3.981 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001358882552 1067594218 /nfs/dbraw/zinc/59/42/18/1067594218.db2.gz CBGLIQCTRZYDDQ-XLIONFOSSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001358895306 1067601869 /nfs/dbraw/zinc/60/18/69/1067601869.db2.gz GZFFXTGTXBGMEM-IFMALSPDSA-N 1 0 393.579 3.643 20 30 GHEDRO C#CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001358915800 1067611579 /nfs/dbraw/zinc/61/15/79/1067611579.db2.gz PRTHITBUYGTTBI-RBBKRZOGSA-N 1 0 391.563 3.540 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358940890 1067622000 /nfs/dbraw/zinc/62/20/00/1067622000.db2.gz QTPGINMMLMQEFG-DLBZAZTESA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001358941938 1067622714 /nfs/dbraw/zinc/62/27/14/1067622714.db2.gz CJWRTMCAVQDHKF-GOSISDBHSA-N 1 0 391.519 3.881 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001358973207 1067631625 /nfs/dbraw/zinc/63/16/25/1067631625.db2.gz JMBWPMIDIVZQPQ-HXUWFJFHSA-N 1 0 397.954 3.648 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001359068154 1067669287 /nfs/dbraw/zinc/66/92/87/1067669287.db2.gz QCJDKBCCPDUIJJ-WZONZLPQSA-N 1 0 390.535 3.539 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[N@H+]1CCC ZINC001359068363 1067669985 /nfs/dbraw/zinc/66/99/85/1067669985.db2.gz XPIVIMCKONCJHT-FDDCHVKYSA-N 1 0 395.526 3.951 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001359070954 1067671662 /nfs/dbraw/zinc/67/16/62/1067671662.db2.gz YTIAQRABGKICPY-MIZPHKNDSA-N 1 0 399.583 3.776 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359164454 1067719746 /nfs/dbraw/zinc/71/97/46/1067719746.db2.gz PLMLJGFZROLDTH-LJQANCHMSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359191574 1067759144 /nfs/dbraw/zinc/75/91/44/1067759144.db2.gz FLGMIWWLHWMVQW-UHFFFAOYSA-N 1 0 389.588 3.872 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC[N@H+]1CC ZINC001359230909 1067831830 /nfs/dbraw/zinc/83/18/30/1067831830.db2.gz IVVXCUBPGOYHMM-SJLPKXTDSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359235403 1067839593 /nfs/dbraw/zinc/83/95/93/1067839593.db2.gz YJNUAKSIOKPBMJ-MRXNPFEDSA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC001359249117 1067894868 /nfs/dbraw/zinc/89/48/68/1067894868.db2.gz OWGDIBPGOLNUTC-IBGZPJMESA-N 1 0 380.540 3.615 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1CCC[NH+]1CCC(C)CC1)C1CC1 ZINC001359252300 1067904689 /nfs/dbraw/zinc/90/46/89/1067904689.db2.gz MRHIDKNRQYRLLQ-UHFFFAOYSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001359257760 1067917541 /nfs/dbraw/zinc/91/75/41/1067917541.db2.gz UVPYWIWQGKPQMF-UHFFFAOYSA-N 1 0 397.567 3.705 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359271545 1067938536 /nfs/dbraw/zinc/93/85/36/1067938536.db2.gz XOMFHWCCUUAWJL-VQTJNVASSA-N 1 0 387.572 3.963 20 30 GHEDRO C=CC[C@@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccncc1 ZINC001477934714 1078635647 /nfs/dbraw/zinc/63/56/47/1078635647.db2.gz YPZGHXKUQIRCFF-VSKRKVRLSA-N 1 0 376.504 3.615 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359475490 1068070068 /nfs/dbraw/zinc/07/00/68/1068070068.db2.gz LSDOVNMJZMBIBX-MOPGFXCFSA-N 1 0 386.588 3.871 20 30 GHEDRO CC(C)(Cn1c(CC2CC2)nnc1N(CCC#N)CC1CC1)[NH+]1CCCCC1 ZINC001359597145 1068102089 /nfs/dbraw/zinc/10/20/89/1068102089.db2.gz FZFUBACWXPVIGO-UHFFFAOYSA-N 1 0 384.572 3.625 20 30 GHEDRO CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359607591 1068105652 /nfs/dbraw/zinc/10/56/52/1068105652.db2.gz VAVGDSKDJUUDQG-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO CN(C)c1cc[nH+]c(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 ZINC001477973256 1078652569 /nfs/dbraw/zinc/65/25/69/1078652569.db2.gz VOSAKKMYROZAHE-UHFFFAOYSA-N 1 0 391.500 3.747 20 30 GHEDRO CC(C)c1nnc(N(CCC#N)CC2CC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001359687426 1068133799 /nfs/dbraw/zinc/13/37/99/1068133799.db2.gz NDLHZTHJJLJOHU-LJQANCHMSA-N 1 0 396.539 3.962 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC1)[NH+](C)C ZINC001359766934 1068176509 /nfs/dbraw/zinc/17/65/09/1068176509.db2.gz XPABMRMBADWSRC-HXUWFJFHSA-N 1 0 380.540 3.639 20 30 GHEDRO CC(C)C[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001359770023 1068176957 /nfs/dbraw/zinc/17/69/57/1068176957.db2.gz YDNPTNUYZZSWKN-FQEVSTJZSA-N 1 0 380.540 3.640 20 30 GHEDRO CC(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359787272 1068189067 /nfs/dbraw/zinc/18/90/67/1068189067.db2.gz XXFLWJGUXNJJQA-RTBURBONSA-N 1 0 386.588 3.727 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001469617227 1068262117 /nfs/dbraw/zinc/26/21/17/1068262117.db2.gz CNEICAQQDXNGLU-HKUYNNGSSA-N 1 0 395.469 3.986 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccccc1OCc1ccccc1 ZINC001469653384 1068286916 /nfs/dbraw/zinc/28/69/16/1068286916.db2.gz JUENXKQPOWCANY-IBGZPJMESA-N 1 0 379.504 3.581 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(C2CCC2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001360100296 1068359268 /nfs/dbraw/zinc/35/92/68/1068359268.db2.gz JSRDOXIPXIFEKC-UHFFFAOYSA-N 1 0 380.540 3.784 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC001469894742 1068454475 /nfs/dbraw/zinc/45/44/75/1068454475.db2.gz IJBCDFZWRUYQOB-JOCHJYFZSA-N 1 0 378.516 3.569 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001360544986 1068551908 /nfs/dbraw/zinc/55/19/08/1068551908.db2.gz UVJOPCXNBCBODD-MGPUTAFESA-N 1 0 386.931 3.679 20 30 GHEDRO C#CCC1(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CCOCC1 ZINC001470132104 1068588984 /nfs/dbraw/zinc/58/89/84/1068588984.db2.gz IWWGLDCLPYHNTI-IBGZPJMESA-N 1 0 391.943 3.595 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(CCC)CC[NH+](C)C)s1 ZINC001360763741 1068621007 /nfs/dbraw/zinc/62/10/07/1068621007.db2.gz BPLNOHXKPLMUMJ-UHFFFAOYSA-N 1 0 375.991 3.639 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC001478234320 1078777522 /nfs/dbraw/zinc/77/75/22/1078777522.db2.gz SEIUSSXYWCYHHU-HUUCEWRRSA-N 1 0 381.442 3.594 20 30 GHEDRO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCCNC(=O)OC(C)(C)C ZINC001460415566 1068957384 /nfs/dbraw/zinc/95/73/84/1068957384.db2.gz HIEKRVYXOQCAQN-UHFFFAOYSA-N 1 0 386.414 3.783 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC001460463810 1068971084 /nfs/dbraw/zinc/97/10/84/1068971084.db2.gz WUFPTYCXIVDXLG-LJQANCHMSA-N 1 0 385.508 3.553 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(C(F)(F)F)c1 ZINC001460517344 1068985210 /nfs/dbraw/zinc/98/52/10/1068985210.db2.gz QEYVZDQHBALHED-UHFFFAOYSA-N 1 0 394.441 3.819 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1OC ZINC001460652528 1069058903 /nfs/dbraw/zinc/05/89/03/1069058903.db2.gz SODREPBZQBVSEV-UXHICEINSA-N 1 0 393.487 3.812 20 30 GHEDRO CCOCc1ccccc1CNC(=O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001460861834 1069233052 /nfs/dbraw/zinc/23/30/52/1069233052.db2.gz SOXYEFSDDJCZLQ-UHFFFAOYSA-N 1 0 391.515 3.591 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC001478672056 1078952461 /nfs/dbraw/zinc/95/24/61/1078952461.db2.gz SGNFIYWTPAWNJN-UHFFFAOYSA-N 1 0 383.495 3.846 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1SCC#N ZINC001470780732 1072736443 /nfs/dbraw/zinc/73/64/43/1072736443.db2.gz NGLAXNIGQSLWCO-FXAWDEMLSA-N 1 0 379.529 3.943 20 30 GHEDRO CCCCCCCNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001470876623 1072785578 /nfs/dbraw/zinc/78/55/78/1072785578.db2.gz QYMVPIMJBSBABB-QFIPXVFZSA-N 1 0 386.584 3.559 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001471235300 1072978389 /nfs/dbraw/zinc/97/83/89/1072978389.db2.gz UBMNCDBKBGMEJN-RUCARUNLSA-N 1 0 395.469 3.971 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001471287610 1072998811 /nfs/dbraw/zinc/99/88/11/1072998811.db2.gz AUPUZVMDQBQLQJ-OYRHEFFESA-N 1 0 383.536 3.560 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)cc1Br ZINC001472640475 1073590663 /nfs/dbraw/zinc/59/06/63/1073590663.db2.gz ZGCDNXCYZREKSM-UHFFFAOYSA-N 1 0 386.293 3.522 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001479209623 1079154539 /nfs/dbraw/zinc/15/45/39/1079154539.db2.gz QIHXZUFQPOLGNJ-XXTHSBEZSA-N 1 0 379.548 3.875 20 30 GHEDRO CC(C)C[C@@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001473276223 1073902661 /nfs/dbraw/zinc/90/26/61/1073902661.db2.gz YLKYQSKSLNJIRZ-SFHVURJKSA-N 1 0 380.454 3.931 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001473622761 1074053420 /nfs/dbraw/zinc/05/34/20/1074053420.db2.gz DDTOPJPFUOERQQ-UHFFFAOYSA-N 1 0 396.498 3.759 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)c1 ZINC001473725976 1074109723 /nfs/dbraw/zinc/10/97/23/1074109723.db2.gz YOCAMPXPCINEIS-UHFFFAOYSA-N 1 0 381.907 3.783 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](Cc3nccs3)C2)cc1Cl ZINC001473809592 1074154630 /nfs/dbraw/zinc/15/46/30/1074154630.db2.gz QRCMMOLORZKUQV-CQSZACIVSA-N 1 0 388.924 3.951 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001473820452 1074160106 /nfs/dbraw/zinc/16/01/06/1074160106.db2.gz ALWUYTLTIVDPIM-IEBWSBKVSA-N 1 0 376.566 3.790 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001474042615 1074246184 /nfs/dbraw/zinc/24/61/84/1074246184.db2.gz UQCNHNGXBQIPQI-DQEYMECFSA-N 1 0 392.543 3.858 20 30 GHEDRO C=CCC1([NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)CCOCC1 ZINC001474203327 1074291987 /nfs/dbraw/zinc/29/19/87/1074291987.db2.gz MKBDWOMFLBLXMA-UHFFFAOYSA-N 1 0 375.900 3.830 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1Cl ZINC001474232259 1074301889 /nfs/dbraw/zinc/30/18/89/1074301889.db2.gz CKXMAHQXZYWROD-MRXNPFEDSA-N 1 0 396.915 3.630 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1OC ZINC001474234514 1074303461 /nfs/dbraw/zinc/30/34/61/1074303461.db2.gz CFTFRBPOTUZXAV-LGEZUQEUSA-N 1 0 394.309 3.536 20 30 GHEDRO Cn1cc(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC001474250089 1074310070 /nfs/dbraw/zinc/31/00/70/1074310070.db2.gz FXQZOVWSZQJXLE-UHFFFAOYSA-N 1 0 397.523 3.742 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC001474359908 1074362096 /nfs/dbraw/zinc/36/20/96/1074362096.db2.gz GKQZLUBKICNWHS-JOCHJYFZSA-N 1 0 375.472 3.953 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3OCC(F)F)CC2)cc1 ZINC001474398679 1074385619 /nfs/dbraw/zinc/38/56/19/1074385619.db2.gz PYAQNHAXWCKJMO-UHFFFAOYSA-N 1 0 385.458 3.910 20 30 GHEDRO C#CCCCCCC[NH+]1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC001474403326 1074389714 /nfs/dbraw/zinc/38/97/14/1074389714.db2.gz FHLNZMVDPHFYKH-UHFFFAOYSA-N 1 0 386.565 3.715 20 30 GHEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)C(C)(C)C ZINC001474563453 1074464846 /nfs/dbraw/zinc/46/48/46/1074464846.db2.gz PSKVAWPYPBDDIP-WFASDCNBSA-N 1 0 378.538 3.896 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1OC1CC1 ZINC001474717442 1074531747 /nfs/dbraw/zinc/53/17/47/1074531747.db2.gz MOQOFLJTCQTPSC-SFHVURJKSA-N 1 0 378.476 3.580 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC001474721489 1074533569 /nfs/dbraw/zinc/53/35/69/1074533569.db2.gz CAAOJHACICHMCM-IPMKNSEASA-N 1 0 399.539 3.523 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(CCC#N)cc1)c1ccccc1 ZINC001474933137 1074638677 /nfs/dbraw/zinc/63/86/77/1074638677.db2.gz ZTWOEYQTTJODOK-QGZVFWFLSA-N 1 0 385.533 3.550 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(Oc2ccc(OCC)cc2)cc1 ZINC001475902198 1075044811 /nfs/dbraw/zinc/04/48/11/1075044811.db2.gz FSALDHSBXXUHTD-UHFFFAOYSA-N 1 0 381.476 3.954 20 30 GHEDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C[C@]2(C)C1 ZINC001476034458 1075072405 /nfs/dbraw/zinc/07/24/05/1075072405.db2.gz DXTGZIHMVBRENI-VGSWGCGISA-N 1 0 376.460 3.766 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001476104252 1075085257 /nfs/dbraw/zinc/08/52/57/1075085257.db2.gz PXVLFQUQCHOYOG-UHFFFAOYSA-N 1 0 394.519 3.715 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC001476200791 1075102843 /nfs/dbraw/zinc/10/28/43/1075102843.db2.gz AXBPQHOBYZBMAG-UXHICEINSA-N 1 0 391.475 3.884 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001476223713 1075106148 /nfs/dbraw/zinc/10/61/48/1075106148.db2.gz DOIXEEKSNVIWBH-QFBILLFUSA-N 1 0 381.451 3.622 20 30 GHEDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(C#N)ccc1Br ZINC001560183515 1126209211 /nfs/dbraw/zinc/20/92/11/1126209211.db2.gz QZPFWIASYFYTHU-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000736480853 599233532 /nfs/dbraw/zinc/23/35/32/599233532.db2.gz NXBBVIFMPWHBDU-UHFFFAOYSA-N 1 0 396.882 3.835 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C(=O)[O-])cc1 ZINC000739105552 600597968 /nfs/dbraw/zinc/59/79/68/600597968.db2.gz HUHIXUXLCUHXNR-OAQYLSRUSA-N 1 0 397.906 3.839 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828258416 601300346 /nfs/dbraw/zinc/30/03/46/601300346.db2.gz RYEFETDCMMDEBD-HTAPYJJXSA-N 1 0 377.488 3.848 20 30 GHEDRO N#Cc1cccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C(=O)[O-])c1 ZINC000833075115 601305810 /nfs/dbraw/zinc/30/58/10/601305810.db2.gz HUEZQQOOBZBHOR-JOCHJYFZSA-N 1 0 377.488 3.850 20 30 GHEDRO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222673 606483040 /nfs/dbraw/zinc/48/30/40/606483040.db2.gz WVZNJFORXCATHO-ZDUSSCGKSA-N 1 0 398.417 3.923 20 30 GHEDRO C=CCc1cc(C[N@H+](CCC)Cc2ccc(-c3nn[nH]n3)cc2)cc(OC)c1O ZINC000823937250 608546844 /nfs/dbraw/zinc/54/68/44/608546844.db2.gz OFZPKHYTXLDXEO-UHFFFAOYSA-N 1 0 393.491 3.722 20 30 GHEDRO CCC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825323095 608548719 /nfs/dbraw/zinc/54/87/19/608548719.db2.gz OGXJERWLXMFPQO-INIZCTEOSA-N 1 0 376.464 3.570 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@H]43)cc2c1Cl ZINC001164448946 719003633 /nfs/dbraw/zinc/00/36/33/719003633.db2.gz KKJSZXMIROCPPG-UONOGXRCSA-N 1 0 383.229 3.899 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621706 719044477 /nfs/dbraw/zinc/04/44/77/719044477.db2.gz JOHSOZMGJZGMHQ-MJGOQNOKSA-N 1 0 388.849 3.735 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCCN(c1ncccc1C[NH+]1CCCC1)[C@@H]2CC ZINC001164704577 719824254 /nfs/dbraw/zinc/82/42/54/719824254.db2.gz ZPHMHGDUTGSWFB-NFBKMPQASA-N 1 0 382.552 3.603 20 30 GHEDRO Cc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164842674 720666998 /nfs/dbraw/zinc/66/69/98/720666998.db2.gz TUFCRBWOIKIEFU-HXUWFJFHSA-N 1 0 376.504 3.522 20 30 GHEDRO Cc1ccc(CC#N)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838983 720716843 /nfs/dbraw/zinc/71/68/43/720716843.db2.gz JTFWTLNLXUKAKS-JOCHJYFZSA-N 1 0 390.531 3.716 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(C#N)nc4C)CC3)CC2)cc1 ZINC001164759185 721045491 /nfs/dbraw/zinc/04/54/91/721045491.db2.gz JOESQOBOBWSWLK-UHFFFAOYSA-N 1 0 375.520 3.848 20 30 GHEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)CCC1 ZINC001164910271 721533356 /nfs/dbraw/zinc/53/33/56/721533356.db2.gz UAKOIBBBCVGZIR-PZJWPPBQSA-N 1 0 392.478 3.508 20 30 GHEDRO COc1cncc(/C=C\CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000581129131 837478414 /nfs/dbraw/zinc/47/84/14/837478414.db2.gz IUDYTZSNJFZDHV-DJWKRKHSSA-N 1 0 376.504 3.573 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000163544365 837666861 /nfs/dbraw/zinc/66/68/61/837666861.db2.gz KEGTVGJZJBDKME-LJQANCHMSA-N 1 0 377.492 3.605 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000176717900 837723154 /nfs/dbraw/zinc/72/31/54/837723154.db2.gz ILWGVAFDSUWGGD-QHCPKHFHSA-N 1 0 391.515 3.794 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)CC1 ZINC000175268359 834414341 /nfs/dbraw/zinc/41/43/41/834414341.db2.gz ZQXMDKUNUDUCJD-UHFFFAOYSA-N 1 0 388.515 3.505 20 30 GHEDRO N#CC1(NC(=O)CCSCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000471109343 834458698 /nfs/dbraw/zinc/45/86/98/834458698.db2.gz DLBJLBYBZPDURG-UHFFFAOYSA-N 1 0 393.556 3.984 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000582026561 837775924 /nfs/dbraw/zinc/77/59/24/837775924.db2.gz MWKHWZCVFBACJE-QGZVFWFLSA-N 1 0 386.455 3.713 20 30 GHEDRO [NH2+]=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)Nc1cc(F)ccc1F ZINC000262332975 834517694 /nfs/dbraw/zinc/51/76/94/834517694.db2.gz YKTWWFICRPTHJL-UYAOXDASSA-N 1 0 377.410 3.604 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccco1 ZINC000557712901 834561851 /nfs/dbraw/zinc/56/18/51/834561851.db2.gz JNBJDWRWSCKGOW-SFHVURJKSA-N 1 0 398.532 3.958 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000065675002 834581324 /nfs/dbraw/zinc/58/13/24/834581324.db2.gz LPTVCRZLKOYUEU-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(c2cccc(Br)c2C#N)CC1 ZINC000584442284 834625238 /nfs/dbraw/zinc/62/52/38/834625238.db2.gz DKJWQKQJWOXCOL-UHFFFAOYSA-N 1 0 380.330 3.648 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000584443303 834637543 /nfs/dbraw/zinc/63/75/43/834637543.db2.gz KUXVFNCZQXOZFC-JOCHJYFZSA-N 1 0 398.514 3.538 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000159961319 834642808 /nfs/dbraw/zinc/64/28/08/834642808.db2.gz JIDYDAQVZJDKPO-UXHICEINSA-N 1 0 384.524 3.527 20 30 GHEDRO C#Cc1cccc(N(CC)C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000163209373 834661138 /nfs/dbraw/zinc/66/11/38/834661138.db2.gz FORNUAOYWMJDOC-UHFFFAOYSA-N 1 0 376.500 3.539 20 30 GHEDRO C=CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1nc2c(s1)CCCC2 ZINC000654850356 834661198 /nfs/dbraw/zinc/66/11/98/834661198.db2.gz OTGZETSZEUOAFD-MRXNPFEDSA-N 1 0 391.606 3.758 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c(OC)c1 ZINC000583580076 834677511 /nfs/dbraw/zinc/67/75/11/834677511.db2.gz XTSAFDIQMZYDHI-KRWDZBQOSA-N 1 0 387.442 3.828 20 30 GHEDRO COc1ccc(OC)c([C@H](C)NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000329292007 834776556 /nfs/dbraw/zinc/77/65/56/834776556.db2.gz NPFGFVRBHHLDKR-DLBZAZTESA-N 1 0 375.513 3.629 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000246300634 834859199 /nfs/dbraw/zinc/85/91/99/834859199.db2.gz FGQKSBJIAKFXAM-SJORKVTESA-N 1 0 388.943 3.737 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NC(C1CC1)C1CC1)[n+]1cccc(C)c1 ZINC000274744979 834932416 /nfs/dbraw/zinc/93/24/16/834932416.db2.gz GDOAOTHTQADIRM-UHFFFAOYSA-O 1 0 384.525 3.604 20 30 GHEDRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000583800089 835062329 /nfs/dbraw/zinc/06/23/29/835062329.db2.gz SCNODBGRWKWVHA-XZOQPEGZSA-N 1 0 375.516 3.815 20 30 GHEDRO C[C@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000157787777 835051280 /nfs/dbraw/zinc/05/12/80/835051280.db2.gz ZSQYIXIUEBXQSG-QFIPXVFZSA-N 1 0 378.451 3.600 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000181859762 835260428 /nfs/dbraw/zinc/26/04/28/835260428.db2.gz WQLIFRJOAFYAAD-NRFANRHFSA-N 1 0 395.503 3.530 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000247695398 835268832 /nfs/dbraw/zinc/26/88/32/835268832.db2.gz ZLVJCJSHPXOOSG-UHFFFAOYSA-N 1 0 383.455 3.960 20 30 GHEDRO COCC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(C#N)cc1 ZINC000157666365 835323672 /nfs/dbraw/zinc/32/36/72/835323672.db2.gz GXBMXGLKMRAUHH-UHFFFAOYSA-N 1 0 396.878 3.953 20 30 GHEDRO Fc1cccc(Br)c1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000254943499 835349416 /nfs/dbraw/zinc/34/94/16/835349416.db2.gz WBPJQKMCLSCFJB-UHFFFAOYSA-N 1 0 393.256 3.976 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000188092879 835365307 /nfs/dbraw/zinc/36/53/07/835365307.db2.gz UMMJPCZJNVFGNZ-UHFFFAOYSA-N 1 0 391.515 3.627 20 30 GHEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471168771 835371037 /nfs/dbraw/zinc/37/10/37/835371037.db2.gz LIWDFTVJYCTSOG-LJQANCHMSA-N 1 0 382.895 3.751 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(-c2cnn(C)c2)c1 ZINC000583998959 835383280 /nfs/dbraw/zinc/38/32/80/835383280.db2.gz QRASRUYMDWFGLP-UHFFFAOYSA-N 1 0 385.515 3.585 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000658062124 835390996 /nfs/dbraw/zinc/39/09/96/835390996.db2.gz YEWSNTNSGLRWDF-DYESRHJHSA-N 1 0 392.565 3.573 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccccc2OC(F)F)c(-c2ccncc2)n1 ZINC000278562923 835400940 /nfs/dbraw/zinc/40/09/40/835400940.db2.gz CSZCODMNYLGPDH-UHFFFAOYSA-N 1 0 397.429 3.792 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000255638317 835424391 /nfs/dbraw/zinc/42/43/91/835424391.db2.gz FULPLZFMVRLLIJ-DTQAZKPQSA-N 1 0 387.833 3.980 20 30 GHEDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329621446 835441010 /nfs/dbraw/zinc/44/10/10/835441010.db2.gz UKNMNQBKFLWIER-PKOBYXMFSA-N 1 0 386.536 3.963 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000658139234 835466695 /nfs/dbraw/zinc/46/66/95/835466695.db2.gz OLAQAPNVCVGTOS-TZIWHRDSSA-N 1 0 383.536 3.515 20 30 GHEDRO CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000048118915 835474986 /nfs/dbraw/zinc/47/49/86/835474986.db2.gz VHKKIEUZFDHWGI-UHFFFAOYSA-N 1 0 378.476 3.697 20 30 GHEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000500843597 844055728 /nfs/dbraw/zinc/05/57/28/844055728.db2.gz VZONEMMARBBNAR-ZJNRKIDTSA-N 1 0 375.394 3.885 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000133738210 835479654 /nfs/dbraw/zinc/47/96/54/835479654.db2.gz WDDPSRNAXHCPEI-UHFFFAOYSA-N 1 0 382.483 3.879 20 30 GHEDRO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278590925 835498112 /nfs/dbraw/zinc/49/81/12/835498112.db2.gz GUFAKCAENPYMBK-NHCUHLMSSA-N 1 0 381.524 3.932 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@](C)(C#N)C3)cc2)C1 ZINC000612107900 835500983 /nfs/dbraw/zinc/50/09/83/835500983.db2.gz VDBWYYZJIBAVDK-YYDVJCTNSA-N 1 0 382.552 4.000 20 30 GHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508818457 844064271 /nfs/dbraw/zinc/06/42/71/844064271.db2.gz SRNXPYDNZOPCOF-GOSISDBHSA-N 1 0 383.515 3.891 20 30 GHEDRO CCOc1cc(C[NH2+]CCCCC#N)ccc1OCc1ccc(C(=O)OC)o1 ZINC000274812376 835581832 /nfs/dbraw/zinc/58/18/32/835581832.db2.gz DRXMAOIBWDVJMO-UHFFFAOYSA-N 1 0 386.448 3.827 20 30 GHEDRO CC[C@@]1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)OCCc2ccccc21 ZINC000584105521 835653782 /nfs/dbraw/zinc/65/37/82/835653782.db2.gz CXJJWDNNKVAIDY-DEOSSOPVSA-N 1 0 386.499 3.927 20 30 GHEDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000048125881 835728953 /nfs/dbraw/zinc/72/89/53/835728953.db2.gz SIUCIRYOERKIPP-MRXNPFEDSA-N 1 0 393.491 3.662 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2OC(F)F)c(-c2ccncc2)n1 ZINC000278666011 835734513 /nfs/dbraw/zinc/73/45/13/835734513.db2.gz NRPSWMVIODCXPP-UHFFFAOYSA-N 1 0 383.402 3.750 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCC2 ZINC000278663473 835737850 /nfs/dbraw/zinc/73/78/50/835737850.db2.gz NJVBTDVYDQHRNU-UXHICEINSA-N 1 0 379.508 3.686 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C(C)C ZINC000584214223 835769560 /nfs/dbraw/zinc/76/95/60/835769560.db2.gz JQRPVTPVAKJXOC-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO Cc1cc(C#N)nc(N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000584238767 835787586 /nfs/dbraw/zinc/78/75/86/835787586.db2.gz XUQNAUYSLRKPSG-UHFFFAOYSA-N 1 0 378.307 3.922 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000573184528 835888843 /nfs/dbraw/zinc/88/88/43/835888843.db2.gz OXYYSUCOKZNQNF-MRXNPFEDSA-N 1 0 388.581 3.633 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179594242 835895282 /nfs/dbraw/zinc/89/52/82/835895282.db2.gz QFYILKIJQBKVCB-DZIBYMRMSA-N 1 0 393.487 3.983 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000246071183 835960353 /nfs/dbraw/zinc/96/03/53/835960353.db2.gz ZZQPWSRPZJDVBK-GMAHTHKFSA-N 1 0 388.515 3.851 20 30 GHEDRO CC(C)CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CC[NH+](C)CC1 ZINC000102792535 835966381 /nfs/dbraw/zinc/96/63/81/835966381.db2.gz GIDWQONCAQBDPW-UHFFFAOYSA-N 1 0 395.503 3.923 20 30 GHEDRO N#Cc1cc2c(nc1N1CC[C@@]3(C1)CCC[N@H+](Cc1ccccc1)C3)CCOC2 ZINC000584391568 835969346 /nfs/dbraw/zinc/96/93/46/835969346.db2.gz BQIQNCOLGIDDLX-DEOSSOPVSA-N 1 0 388.515 3.518 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179775319 835976664 /nfs/dbraw/zinc/97/66/64/835976664.db2.gz AMMHWJXHYXBPPY-ZDUSSCGKSA-N 1 0 396.878 3.849 20 30 GHEDRO N#Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000167166577 835999856 /nfs/dbraw/zinc/99/98/56/835999856.db2.gz XZACZTXCDAYYSQ-NQIIRXRSSA-N 1 0 376.460 3.957 20 30 GHEDRO C=CCCC[N@H+]1CC2(C[C@@H]1C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC2 ZINC001209157465 836073637 /nfs/dbraw/zinc/07/36/37/836073637.db2.gz WHLUZMGHDLVOSN-QGZVFWFLSA-N 1 0 380.529 3.607 20 30 GHEDRO Cn1cc([C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cn1 ZINC000375898255 836148485 /nfs/dbraw/zinc/14/84/85/836148485.db2.gz QMEFSOJRNHKOTB-QHCPKHFHSA-N 1 0 389.478 3.779 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[NH+]3CCC2CC3)cc1OCC ZINC000569968925 836219635 /nfs/dbraw/zinc/21/96/35/836219635.db2.gz PNNUIBRWQXJXOI-UHFFFAOYSA-N 1 0 395.341 3.693 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000329240209 861190581 /nfs/dbraw/zinc/19/05/81/861190581.db2.gz QUWYWDPTDHHJLU-SFTDATJTSA-N 1 0 381.524 3.698 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000375973253 836373084 /nfs/dbraw/zinc/37/30/84/836373084.db2.gz GGTHSGRRPXJJOO-XMSQKQJNSA-N 1 0 389.434 3.696 20 30 GHEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000548938978 836397437 /nfs/dbraw/zinc/39/74/37/836397437.db2.gz RTJBHEXMPBNWLI-UHFFFAOYSA-N 1 0 391.537 3.619 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178150257 836406279 /nfs/dbraw/zinc/40/62/79/836406279.db2.gz XYXUNRVITRCNDI-UHFFFAOYSA-N 1 0 382.439 3.646 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCC(F)(F)F)c1C#N ZINC000472445498 836461997 /nfs/dbraw/zinc/46/19/97/836461997.db2.gz WMCPLBGSQHIZCZ-UHFFFAOYSA-N 1 0 396.413 3.831 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1Cl ZINC000275322456 836704386 /nfs/dbraw/zinc/70/43/86/836704386.db2.gz PHHCSKFPLFSDBA-PXNSSMCTSA-N 1 0 375.900 3.875 20 30 GHEDRO C=C(C)[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)c(F)c1 ZINC000547804502 836793436 /nfs/dbraw/zinc/79/34/36/836793436.db2.gz SHWOSLQTHQEZNF-LJQANCHMSA-N 1 0 393.478 3.526 20 30 GHEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000175617463 836799909 /nfs/dbraw/zinc/79/99/09/836799909.db2.gz KRIRXHLBBYKZRB-UHFFFAOYSA-N 1 0 396.491 3.749 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(c3cccs3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180291852 836982721 /nfs/dbraw/zinc/98/27/21/836982721.db2.gz WGPFCHMTVOHKNY-UHFFFAOYSA-N 1 0 377.517 3.779 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000027327770 837043743 /nfs/dbraw/zinc/04/37/43/837043743.db2.gz GHQDLHHNVJSFCT-UHFFFAOYSA-O 1 0 384.569 3.985 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(C)c1 ZINC000027480371 837053342 /nfs/dbraw/zinc/05/33/42/837053342.db2.gz FZLTVCYSNIUKEP-UHFFFAOYSA-O 1 0 395.520 3.842 20 30 GHEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000027488147 837054301 /nfs/dbraw/zinc/05/43/01/837054301.db2.gz XCSISIRDYYBLCG-CRAIPNDOSA-O 1 0 398.508 3.989 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000175705459 837062630 /nfs/dbraw/zinc/06/26/30/837062630.db2.gz BHRYNJALJYLVME-XHDPSFHLSA-N 1 0 395.406 3.974 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498451 837096944 /nfs/dbraw/zinc/09/69/44/837096944.db2.gz HKQKKDIYSZAEBO-GDBMZVCRSA-N 1 0 383.330 3.582 20 30 GHEDRO C=CC[C@H]1N(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC2CC2)CCCC1(C)C ZINC000613080741 837216939 /nfs/dbraw/zinc/21/69/39/837216939.db2.gz SWTHGYSNWBTDPI-HSALFYBXSA-N 1 0 399.583 3.795 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)sc2c1CCC2 ZINC000177198177 837883008 /nfs/dbraw/zinc/88/30/08/837883008.db2.gz PVEQKMOQAAWMPI-DOTOQJQBSA-N 1 0 375.563 3.797 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3cccc(C#N)c3)CC2)cc1 ZINC000177357660 837931403 /nfs/dbraw/zinc/93/14/03/837931403.db2.gz IGLZACPNKFLUAY-UHFFFAOYSA-N 1 0 379.529 3.693 20 30 GHEDRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(Cl)c1F ZINC000576340376 844275439 /nfs/dbraw/zinc/27/54/39/844275439.db2.gz UKDLGNYBXLIYAR-INIZCTEOSA-N 1 0 390.886 3.852 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1C#N ZINC000177517764 837994918 /nfs/dbraw/zinc/99/49/18/837994918.db2.gz OJJZBSCMNAKEON-HDICACEKSA-N 1 0 380.492 3.678 20 30 GHEDRO C[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000415704545 838006008 /nfs/dbraw/zinc/00/60/08/838006008.db2.gz SECPIUSPMCTUIK-YJBOKZPZSA-N 1 0 394.523 3.633 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000415807711 838123842 /nfs/dbraw/zinc/12/38/42/838123842.db2.gz RGFYFMYUSPWTMH-GXTWGEPZSA-N 1 0 382.302 3.605 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415812226 838139990 /nfs/dbraw/zinc/13/99/90/838139990.db2.gz ZYTBCIQSJFQNCF-NWANDNLSSA-N 1 0 394.313 3.605 20 30 GHEDRO CC1(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000330165436 838182904 /nfs/dbraw/zinc/18/29/04/838182904.db2.gz WYPNMMKJWPYXIT-HXUWFJFHSA-N 1 0 386.536 3.973 20 30 GHEDRO C[N@H+](CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CCCC1 ZINC000609190498 838265878 /nfs/dbraw/zinc/26/58/78/838265878.db2.gz ZUSYRCIMHVUTOW-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659311961 838270600 /nfs/dbraw/zinc/27/06/00/838270600.db2.gz ACDVIKAXXFROST-LBPRGKRZSA-N 1 0 398.322 3.848 20 30 GHEDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267385 838327078 /nfs/dbraw/zinc/32/70/78/838327078.db2.gz JDCLQWUVIFNIPB-AEFFLSMTSA-N 1 0 378.520 3.959 20 30 GHEDRO CC[C@](C)(O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000189731304 838390220 /nfs/dbraw/zinc/39/02/20/838390220.db2.gz DMETVWRXQBJOII-NRFANRHFSA-N 1 0 385.895 3.813 20 30 GHEDRO N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000416015069 838404286 /nfs/dbraw/zinc/40/42/86/838404286.db2.gz QDTHBQCTZWXOCR-LJQANCHMSA-N 1 0 381.426 3.605 20 30 GHEDRO C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000416034372 838438214 /nfs/dbraw/zinc/43/82/14/838438214.db2.gz TXWKYENYGFEFSH-FZKQIMNGSA-N 1 0 390.409 3.865 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1F ZINC000613598466 838564452 /nfs/dbraw/zinc/56/44/52/838564452.db2.gz JQAPJDNBJZBWGB-OAHLLOKOSA-N 1 0 398.482 3.572 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000579305327 838603087 /nfs/dbraw/zinc/60/30/87/838603087.db2.gz JOAIAABQLYHSOI-LJQANCHMSA-N 1 0 391.450 3.536 20 30 GHEDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000549119616 838677286 /nfs/dbraw/zinc/67/72/86/838677286.db2.gz JDZCXMPWBVHAQB-LZBRWLDZSA-N 1 0 399.560 3.763 20 30 GHEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000549119613 838677403 /nfs/dbraw/zinc/67/74/03/838677403.db2.gz JDZCXMPWBVHAQB-JECZMYCTSA-N 1 0 399.560 3.763 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000549409585 838768189 /nfs/dbraw/zinc/76/81/89/838768189.db2.gz VBHMOELSEWBJEP-HXUWFJFHSA-N 1 0 387.405 3.934 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccn2)[n+]2ccccc2)s1 ZINC000171086719 838781561 /nfs/dbraw/zinc/78/15/61/838781561.db2.gz LKPOGILFOSVDOI-UHFFFAOYSA-O 1 0 382.534 3.510 20 30 GHEDRO C=C(CNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000377029447 838925679 /nfs/dbraw/zinc/92/56/79/838925679.db2.gz JEOAETVCSQRTCW-UHFFFAOYSA-N 1 0 398.595 3.538 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000120244764 838937169 /nfs/dbraw/zinc/93/71/69/838937169.db2.gz ZRXOFFZBVPEGJY-NRFANRHFSA-N 1 0 396.491 3.829 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C#N)cc1C ZINC000614392331 844400501 /nfs/dbraw/zinc/40/05/01/844400501.db2.gz JWFKWHTZZYDSQB-UHFFFAOYSA-N 1 0 381.549 3.965 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)nc1 ZINC000565156731 839130068 /nfs/dbraw/zinc/13/00/68/839130068.db2.gz JXPTYASWDAKDNS-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536265595 839209155 /nfs/dbraw/zinc/20/91/55/839209155.db2.gz UQNANWIAZGULJW-BVSLBCMMSA-N 1 0 377.488 3.523 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000415156858 839298167 /nfs/dbraw/zinc/29/81/67/839298167.db2.gz GXPLTZFGINUWHS-ZIAGYGMSSA-N 1 0 382.489 3.678 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c1C#N ZINC000181546548 839377894 /nfs/dbraw/zinc/37/78/94/839377894.db2.gz RFVOZQSKVBLVSN-INIZCTEOSA-N 1 0 388.471 3.961 20 30 GHEDRO C=C[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000125113686 839397958 /nfs/dbraw/zinc/39/79/58/839397958.db2.gz JAWHJGAZBSFJML-WMZHIEFXSA-N 1 0 378.516 3.619 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549263174 839663149 /nfs/dbraw/zinc/66/31/49/839663149.db2.gz DFQHHNXSMMPAKR-FQEVSTJZSA-N 1 0 397.567 3.910 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000580494760 839680652 /nfs/dbraw/zinc/68/06/52/839680652.db2.gz UJASYLLSARYUPR-QGZVFWFLSA-N 1 0 383.442 3.869 20 30 GHEDRO C[C@@H](CCc1n[nH]c2ccccc12)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541155258 839750612 /nfs/dbraw/zinc/75/06/12/839750612.db2.gz MLKYVYDAVRVRGS-AOMKIAJQSA-N 1 0 387.487 3.541 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)F ZINC000415515190 839888980 /nfs/dbraw/zinc/88/89/80/839888980.db2.gz HRDPMYFFQJNWDF-NXEZZACHSA-N 1 0 393.278 3.591 20 30 GHEDRO CCN(C(=O)Nc1ccc(C#N)cc1OC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548118260 839891065 /nfs/dbraw/zinc/89/10/65/839891065.db2.gz CMWXUJWNEJYBSG-IBGZPJMESA-N 1 0 378.476 3.695 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C#N ZINC000512546866 844498544 /nfs/dbraw/zinc/49/85/44/844498544.db2.gz GYACAHNYJNYIHU-YOFSQIOKSA-N 1 0 397.567 3.587 20 30 GHEDRO [NH2+]=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccccc1OC(F)(F)F ZINC000160635392 840179963 /nfs/dbraw/zinc/17/99/63/840179963.db2.gz FMOWGCKZOSYKRV-UHFFFAOYSA-N 1 0 393.413 3.897 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000416905068 840264367 /nfs/dbraw/zinc/26/43/67/840264367.db2.gz PYWADQIGUYIBLK-IBGZPJMESA-N 1 0 381.524 3.767 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000511696046 840511900 /nfs/dbraw/zinc/51/19/00/840511900.db2.gz TUMDHFKKEJGRGI-UHFFFAOYSA-N 1 0 377.448 3.742 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000573454311 844547160 /nfs/dbraw/zinc/54/71/60/844547160.db2.gz FSAAVIZGIVRICE-UHFFFAOYSA-N 1 0 391.471 3.717 20 30 GHEDRO C[C@@H](O)C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000160756621 840672552 /nfs/dbraw/zinc/67/25/52/840672552.db2.gz FPOANFSZYJKOBN-UKRRQHHQSA-N 1 0 381.398 3.867 20 30 GHEDRO COc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417371318 840786793 /nfs/dbraw/zinc/78/67/93/840786793.db2.gz ULJDQFYMCLNYIK-DHIUTWEWSA-N 1 0 387.487 3.957 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000581219714 840881373 /nfs/dbraw/zinc/88/13/73/840881373.db2.gz XKZNKOSLCUFHJB-UHFFFAOYSA-N 1 0 395.482 3.884 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(c3c(C#N)cnc4ccccc43)CC2)C[C@@H](C)O1 ZINC000301570433 841209481 /nfs/dbraw/zinc/20/94/81/841209481.db2.gz QYTBKWPYKFEMSZ-QZTJIDSGSA-N 1 0 378.520 3.822 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000581417344 841326593 /nfs/dbraw/zinc/32/65/93/841326593.db2.gz XSQXICQGHJXBGL-KRWDZBQOSA-N 1 0 390.365 3.608 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCCC3)C(=S)NCCOC)cc1 ZINC000027307782 841370500 /nfs/dbraw/zinc/37/05/00/841370500.db2.gz XJYCFXLVRIIEOF-UHFFFAOYSA-O 1 0 397.564 3.590 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2Cc3cccc(Br)c3C2)CC1 ZINC000185686305 861195941 /nfs/dbraw/zinc/19/59/41/861195941.db2.gz INJBDQGHACDJNY-UHFFFAOYSA-N 1 0 378.314 3.515 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](c3cccs3)C3CC3)CC2)cc1 ZINC000603803683 861199796 /nfs/dbraw/zinc/19/97/96/861199796.db2.gz XCQFXCZTYDNGDV-NRFANRHFSA-N 1 0 394.544 3.988 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276305941 841538151 /nfs/dbraw/zinc/53/81/51/841538151.db2.gz RVWUQYWAJOOXGB-UHFFFAOYSA-N 1 0 376.504 3.560 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000500212255 841657011 /nfs/dbraw/zinc/65/70/11/841657011.db2.gz ROKMETHZXMQADN-UHFFFAOYSA-N 1 0 389.565 3.513 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1 ZINC000027479510 841718438 /nfs/dbraw/zinc/71/84/38/841718438.db2.gz KNMYIBMOQYABHL-UHFFFAOYSA-O 1 0 385.578 3.744 20 30 GHEDRO CCOc1ccc2nc(NC(=O)CN3CC[C@@H]([NH+]4CCCCC4)C3)sc2c1 ZINC000329272270 861231118 /nfs/dbraw/zinc/23/11/18/861231118.db2.gz HTZJUGYAROGCAO-OAHLLOKOSA-N 1 0 388.537 3.843 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000329271300 861231243 /nfs/dbraw/zinc/23/12/43/861231243.db2.gz IAAAIUNHPABXBA-DQVLVPHSSA-N 1 0 397.519 3.848 20 30 GHEDRO C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329279607 861235807 /nfs/dbraw/zinc/23/58/07/861235807.db2.gz LSYTXYCOVVWHOP-HNBVOPMISA-N 1 0 379.589 3.815 20 30 GHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000481387382 861239232 /nfs/dbraw/zinc/23/92/32/861239232.db2.gz BMPJNMSOJCDPHM-KZULUSFZSA-N 1 0 375.856 3.726 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C[NH+]1CCCC1 ZINC000603828890 861242747 /nfs/dbraw/zinc/24/27/47/861242747.db2.gz BCFOJOFFQDLHBA-MRXNPFEDSA-N 1 0 379.464 3.599 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328062 841846517 /nfs/dbraw/zinc/84/65/17/841846517.db2.gz AKQXXMUTIKEVHZ-UONOGXRCSA-N 1 0 398.320 3.674 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1OC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000121414934 841851613 /nfs/dbraw/zinc/85/16/13/841851613.db2.gz AAZDBVAHYIJRKD-UHFFFAOYSA-N 1 0 393.535 3.855 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 ZINC000181956863 841984192 /nfs/dbraw/zinc/98/41/92/841984192.db2.gz WBLARDIJUNSELJ-QOQLHOOGSA-N 1 0 387.524 3.674 20 30 GHEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000078497477 842057318 /nfs/dbraw/zinc/05/73/18/842057318.db2.gz QWAVUTXFAILSOY-SFHVURJKSA-N 1 0 378.520 3.855 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000066905672 842085750 /nfs/dbraw/zinc/08/57/50/842085750.db2.gz NQVHXLLQHREJFS-IBGZPJMESA-N 1 0 389.421 3.863 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1 ZINC000106638911 842164233 /nfs/dbraw/zinc/16/42/33/842164233.db2.gz OGARZPIYUYTFIR-UHFFFAOYSA-N 1 0 393.422 3.500 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329317116 861278553 /nfs/dbraw/zinc/27/85/53/861278553.db2.gz DBFJGINIXZQZAL-ICSRJNTNSA-N 1 0 399.583 3.978 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)nc1 ZINC000581865046 842330219 /nfs/dbraw/zinc/33/02/19/842330219.db2.gz RNMKVCQKHXBEFG-HNNXBMFYSA-N 1 0 380.448 3.869 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000329339032 861300763 /nfs/dbraw/zinc/30/07/63/861300763.db2.gz NLIDVUJRNDAKEM-NKELODKYSA-N 1 0 396.539 3.643 20 30 GHEDRO CC(C)(CNC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)[NH+]1CCCCC1 ZINC000329344509 861308242 /nfs/dbraw/zinc/30/82/42/861308242.db2.gz QNSVTVROUZNPSL-GOSISDBHSA-N 1 0 396.539 3.787 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC([C@@H]2CCCCO2)CC1)C(C)C ZINC000663668470 842600990 /nfs/dbraw/zinc/60/09/90/842600990.db2.gz PESXTAJICKAQAZ-RTWAWAEBSA-N 1 0 377.573 3.676 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000603889876 861332346 /nfs/dbraw/zinc/33/23/46/861332346.db2.gz BGCFLQGDKUVIDO-VQTJNVASSA-N 1 0 375.472 3.659 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)C2=O)cc1 ZINC000248741627 842702412 /nfs/dbraw/zinc/70/24/12/842702412.db2.gz MBRKODOCSJSQEE-AJSBUHFISA-N 1 0 389.499 3.811 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000512177678 842760817 /nfs/dbraw/zinc/76/08/17/842760817.db2.gz HKXDVXXZABSRLA-QGZVFWFLSA-N 1 0 378.259 3.517 20 30 GHEDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000169283867 842790191 /nfs/dbraw/zinc/79/01/91/842790191.db2.gz CXNAYUSNTIHXGZ-UHFFFAOYSA-N 1 0 376.508 3.612 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)CSc3ccncc3)CCCCC2)CCO1 ZINC000329374535 861348079 /nfs/dbraw/zinc/34/80/79/861348079.db2.gz LCEWQQFVFAOLRR-UHFFFAOYSA-N 1 0 377.554 3.944 20 30 GHEDRO COc1cc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c2ccccc2n1 ZINC000329378634 861352153 /nfs/dbraw/zinc/35/21/53/861352153.db2.gz MQJCCTIXCBXZAW-KRWDZBQOSA-N 1 0 385.533 3.917 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000329396179 861372218 /nfs/dbraw/zinc/37/22/18/861372218.db2.gz UICRLGPHFFABHW-UZLBHIALSA-N 1 0 397.523 3.861 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127358280 843035713 /nfs/dbraw/zinc/03/57/13/843035713.db2.gz RWXGRTAIQOQDLX-OAHLLOKOSA-N 1 0 382.426 3.828 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOc3ccccc3C1)CCCC2 ZINC000603909664 861375016 /nfs/dbraw/zinc/37/50/16/861375016.db2.gz YEDNRGPJPRGTAL-UHFFFAOYSA-N 1 0 381.501 3.722 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)COc1cccc2ccccc21 ZINC000512200491 843065587 /nfs/dbraw/zinc/06/55/87/843065587.db2.gz FVCJXZUWWJGRCH-IBGZPJMESA-N 1 0 381.472 3.743 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000512216070 843115372 /nfs/dbraw/zinc/11/53/72/843115372.db2.gz ACXCPPNSYAFHGL-UHFFFAOYSA-N 1 0 394.471 3.873 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000623692993 861387129 /nfs/dbraw/zinc/38/71/29/861387129.db2.gz ZCTNCYFLWUBUAM-FQEVSTJZSA-N 1 0 385.552 3.665 20 30 GHEDRO C[C@H]1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000662422103 843215122 /nfs/dbraw/zinc/21/51/22/843215122.db2.gz ZHLPBBYHDFUPTJ-CABZTGNLSA-N 1 0 386.311 3.785 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000107898453 843247480 /nfs/dbraw/zinc/24/74/80/843247480.db2.gz YKIBVHJYHRNIAW-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279734746 843291647 /nfs/dbraw/zinc/29/16/47/843291647.db2.gz OBTXKWJVNWHUFU-HXUWFJFHSA-N 1 0 390.487 3.600 20 30 GHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000329423721 861401310 /nfs/dbraw/zinc/40/13/10/861401310.db2.gz HXHMRPZLNBJZIH-FQEVSTJZSA-N 1 0 382.508 3.649 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1ccc(C#N)cc1F ZINC000610642749 843346773 /nfs/dbraw/zinc/34/67/73/843346773.db2.gz HLMIQRKKLOSWSP-UHFFFAOYSA-N 1 0 388.409 3.503 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC000599608471 861406570 /nfs/dbraw/zinc/40/65/70/861406570.db2.gz WJGNDXNDZOWCJX-CMPLNLGQSA-N 1 0 394.319 3.568 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000512350363 843512698 /nfs/dbraw/zinc/51/26/98/843512698.db2.gz MWFMPPZGQCWJTR-UHFFFAOYSA-N 1 0 395.503 3.535 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CC2)c1 ZINC000418674931 843526168 /nfs/dbraw/zinc/52/61/68/843526168.db2.gz PCTQOEZVGYGGDD-QFIPXVFZSA-N 1 0 392.503 3.591 20 30 GHEDRO C#CCOc1cccc(NC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c1 ZINC000731042349 861427302 /nfs/dbraw/zinc/42/73/02/861427302.db2.gz LWZYKBULFXLIOR-UHFFFAOYSA-N 1 0 392.503 3.793 20 30 GHEDRO C[NH+]=C(NCc1ccc(Br)s1)N1CCC(OC(C)(C)C)CC1 ZINC000261651640 843605509 /nfs/dbraw/zinc/60/55/09/843605509.db2.gz ABFHUYVBFLDQAH-UHFFFAOYSA-N 1 0 388.375 3.866 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@H]1[NH+](C)C ZINC000759945718 843625858 /nfs/dbraw/zinc/62/58/58/843625858.db2.gz NYLLTAILYIMBMK-NJDAHSKKSA-N 1 0 394.544 3.851 20 30 GHEDRO CS(=O)(=O)N(Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000418840840 843709073 /nfs/dbraw/zinc/70/90/73/843709073.db2.gz GFEPIYAPUZVSPE-UHFFFAOYSA-N 1 0 383.517 3.510 20 30 GHEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000512428792 843764293 /nfs/dbraw/zinc/76/42/93/843764293.db2.gz ZFCUBLBBGBJBGD-SJLPKXTDSA-N 1 0 377.916 3.602 20 30 GHEDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512824575 843809521 /nfs/dbraw/zinc/80/95/21/843809521.db2.gz UWUCUQOFBOJSJL-WMZOPIPTSA-N 1 0 387.499 3.720 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512449908 843839901 /nfs/dbraw/zinc/83/99/01/843839901.db2.gz MJOOAEQRDQZSFZ-SQNIBIBYSA-N 1 0 389.565 3.892 20 30 GHEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000411893621 843921221 /nfs/dbraw/zinc/92/12/21/843921221.db2.gz OAIQRDFYZXKNEG-YOMUGFJLSA-N 1 0 395.528 3.779 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000731112480 861473239 /nfs/dbraw/zinc/47/32/39/861473239.db2.gz JXWPUCDHVLNEMS-QFIPXVFZSA-N 1 0 377.488 3.966 20 30 GHEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)n1 ZINC000512895968 843958347 /nfs/dbraw/zinc/95/83/47/843958347.db2.gz SEGZIFPNKOIKIK-UHFFFAOYSA-N 1 0 377.395 3.687 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000731113104 861475642 /nfs/dbraw/zinc/47/56/42/861475642.db2.gz UYUDXXKDAHPFNQ-JOCHJYFZSA-N 1 0 393.487 3.666 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC2)c1 ZINC000509839613 843961789 /nfs/dbraw/zinc/96/17/89/843961789.db2.gz OREXWAZDZULPRH-UHFFFAOYSA-N 1 0 397.519 3.819 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000106272130 843973819 /nfs/dbraw/zinc/97/38/19/843973819.db2.gz AZJPNPVVNVUDQO-FUHWJXTLSA-N 1 0 392.341 3.645 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000433297634 843994778 /nfs/dbraw/zinc/99/47/78/843994778.db2.gz LZSQOAJDIZLAIV-XZOQPEGZSA-N 1 0 375.516 3.930 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000120645622 844637842 /nfs/dbraw/zinc/63/78/42/844637842.db2.gz GBVVCEMGCGADCI-JTSKRJEESA-N 1 0 377.488 3.549 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNCCCOc2ccccc2)c1C ZINC000729148077 844749563 /nfs/dbraw/zinc/74/95/63/844749563.db2.gz RPESBTJITGHWFR-JOCHJYFZSA-N 1 0 382.552 3.982 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508808926 844800050 /nfs/dbraw/zinc/80/00/50/844800050.db2.gz IXCWZYNVLRAFLR-NQIIRXRSSA-N 1 0 377.536 3.893 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458303667 844845856 /nfs/dbraw/zinc/84/58/56/844845856.db2.gz YFOLFNYZYNQMJM-UHFFFAOYSA-N 1 0 388.439 3.592 20 30 GHEDRO COC(=O)[C@@H]1CN(Cc2cc(Br)ccc2C#N)C[C@H]1c1ccccc1 ZINC001141908044 861504298 /nfs/dbraw/zinc/50/42/98/861504298.db2.gz YHZUTZUCKSEBKH-RBUKOAKNSA-N 1 0 399.288 3.709 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccc(OCC#N)cc2)C2CC2)CC1 ZINC000731212306 861505831 /nfs/dbraw/zinc/50/58/31/861505831.db2.gz FTNRDLVPJWLEBP-UHFFFAOYSA-N 1 0 385.508 3.953 20 30 GHEDRO N#Cc1ccc(CCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000247692673 844877273 /nfs/dbraw/zinc/87/72/73/844877273.db2.gz XGBVCBQMUUPRSN-UHFFFAOYSA-N 1 0 381.907 3.925 20 30 GHEDRO N#CCCN(C(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000151148626 844988936 /nfs/dbraw/zinc/98/89/36/844988936.db2.gz HXXXHRHMIOSROD-LJQANCHMSA-N 1 0 388.943 3.537 20 30 GHEDRO C=C(CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000512681303 845020174 /nfs/dbraw/zinc/02/01/74/845020174.db2.gz MYNPSZLIKXQLLM-GOTSBHOMSA-N 1 0 398.595 3.678 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000433042398 845047165 /nfs/dbraw/zinc/04/71/65/845047165.db2.gz XRJUDOXQBSADCN-REWPJTCUSA-N 1 0 390.531 3.654 20 30 GHEDRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610993393 845064448 /nfs/dbraw/zinc/06/44/48/845064448.db2.gz NOYKGBFZDCURJQ-QFIPXVFZSA-N 1 0 377.488 3.902 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)c1C ZINC000513223505 845085790 /nfs/dbraw/zinc/08/57/90/845085790.db2.gz OGZGPCHPIGFPRE-KRWDZBQOSA-N 1 0 375.476 3.777 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282436778 861540536 /nfs/dbraw/zinc/54/05/36/861540536.db2.gz ZAZHCXPGYIBJAL-UHFFFAOYSA-N 1 0 383.540 3.627 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2ccnn2C)C1 ZINC000329492620 861537163 /nfs/dbraw/zinc/53/71/63/861537163.db2.gz ZSUNYBABVAWMLK-IEBWSBKVSA-N 1 0 375.561 3.762 20 30 GHEDRO C=CCOc1ccc(O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000663985486 845225656 /nfs/dbraw/zinc/22/56/56/845225656.db2.gz VHGHMSKRYXWKOT-LJQANCHMSA-N 1 0 394.515 3.800 20 30 GHEDRO Cc1ccc([C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000162270073 861554895 /nfs/dbraw/zinc/55/48/95/861554895.db2.gz IVUZOSYQEJPTSZ-IBGZPJMESA-N 1 0 378.520 3.744 20 30 GHEDRO CC[NH+]=C(NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1)N1CCC2(C1)CCOCC2 ZINC000262366653 845351119 /nfs/dbraw/zinc/35/11/19/845351119.db2.gz HWMTXHNNTVVKFT-FGZHOGPDSA-N 1 0 399.579 3.931 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[NH+]2CCCC2)c1 ZINC000433119595 845359702 /nfs/dbraw/zinc/35/97/02/845359702.db2.gz GRAQHDWFGQUTJZ-JTHBVZDNSA-N 1 0 391.515 3.721 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000119604044 845471949 /nfs/dbraw/zinc/47/19/49/845471949.db2.gz BMWNWXNGDQQMEN-KGLIPLIRSA-N 1 0 381.314 3.697 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000600311394 861579224 /nfs/dbraw/zinc/57/92/24/861579224.db2.gz PECPWDZORJEOIF-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(OCC4CCCC4)CC3)C2=O)cc1 ZINC000182837033 845568931 /nfs/dbraw/zinc/56/89/31/845568931.db2.gz UOYUXJHUAKLKOR-JOCHJYFZSA-N 1 0 381.520 3.725 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1SCC#N ZINC000843814105 861586037 /nfs/dbraw/zinc/58/60/37/861586037.db2.gz HLLNUYBZZUFAKQ-FXAWDEMLSA-N 1 0 379.529 3.943 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)c3cc(C#N)ccc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000560629342 861605867 /nfs/dbraw/zinc/60/58/67/861605867.db2.gz LFQXSTNZUSBENZ-RTWAWAEBSA-N 1 0 395.890 3.928 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000329542776 861627308 /nfs/dbraw/zinc/62/73/08/861627308.db2.gz FAIMDVSGFHTFQU-UHFFFAOYSA-N 1 0 396.535 3.838 20 30 GHEDRO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000511052634 846012156 /nfs/dbraw/zinc/01/21/56/846012156.db2.gz YSUBMWGWVDGKCL-BTYIYWSLSA-N 1 0 383.442 3.548 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCC[C@@H]1O ZINC000481540212 861634166 /nfs/dbraw/zinc/63/41/66/861634166.db2.gz ICWDNDIQXLMXIX-QAPCUYQASA-N 1 0 389.565 3.700 20 30 GHEDRO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001167536401 846099542 /nfs/dbraw/zinc/09/95/42/846099542.db2.gz YWJJCCPZUTUWFB-AABGKKOBSA-N 1 0 377.573 3.834 20 30 GHEDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000051406594 846196155 /nfs/dbraw/zinc/19/61/55/846196155.db2.gz FKSLLNJXTVUJIV-GOSISDBHSA-N 1 0 378.394 3.643 20 30 GHEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421383424 846198887 /nfs/dbraw/zinc/19/88/87/846198887.db2.gz NBDWPWXVLFJPJE-OAHLLOKOSA-N 1 0 391.284 3.709 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC2(c3cccc(Br)c3)CCC2)nn1 ZINC000657325417 846238084 /nfs/dbraw/zinc/23/80/84/846238084.db2.gz FHRMGURSOBZQIS-UHFFFAOYSA-N 1 0 375.314 3.828 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000502602273 846243210 /nfs/dbraw/zinc/24/32/10/846243210.db2.gz SEOSOOVGOHARPK-NRFANRHFSA-N 1 0 383.879 3.532 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000513696571 846420652 /nfs/dbraw/zinc/42/06/52/846420652.db2.gz ATFPXVPVDUAWBE-UHFFFAOYSA-N 1 0 397.906 3.784 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551553150 846434089 /nfs/dbraw/zinc/43/40/89/846434089.db2.gz VJSHIQRRAHYCCV-PZJWPPBQSA-N 1 0 397.885 3.924 20 30 GHEDRO COCCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 ZINC000367029977 846439835 /nfs/dbraw/zinc/43/98/35/846439835.db2.gz MKDRWGROCCNKKC-NRFANRHFSA-N 1 0 382.483 3.819 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccc(C)cc2)cc1 ZINC000280628646 846467048 /nfs/dbraw/zinc/46/70/48/846467048.db2.gz SOWFUBPNSMCZKF-LJQANCHMSA-O 1 0 397.564 3.800 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccc(C)cc2)cc1 ZINC000280628645 846467160 /nfs/dbraw/zinc/46/71/60/846467160.db2.gz SOWFUBPNSMCZKF-IBGZPJMESA-O 1 0 397.564 3.800 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000502991573 846681756 /nfs/dbraw/zinc/68/17/56/846681756.db2.gz OCHIJCUDDRXKKV-KBWCOIMZSA-N 1 0 398.551 3.812 20 30 GHEDRO COc1cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c(F)cc1C#N ZINC000599812941 861708403 /nfs/dbraw/zinc/70/84/03/861708403.db2.gz WIRYMUFIXRTSDN-VBKZILBWSA-N 1 0 384.455 3.827 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419651771 846718876 /nfs/dbraw/zinc/71/88/76/846718876.db2.gz VAAPFMQILJUIOL-JOCHJYFZSA-N 1 0 394.494 3.848 20 30 GHEDRO C=CCC(CC=C)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501210301 846744925 /nfs/dbraw/zinc/74/49/25/846744925.db2.gz QSKCLPZAMLOVKO-UHFFFAOYSA-N 1 0 392.341 3.908 20 30 GHEDRO N#CCCC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000419744431 846769612 /nfs/dbraw/zinc/76/96/12/846769612.db2.gz INSLHTMRYNTDMQ-KRWDZBQOSA-N 1 0 377.897 3.512 20 30 GHEDRO CC(C)(CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C[NH+]1CCCC1 ZINC000481571764 861751995 /nfs/dbraw/zinc/75/19/95/861751995.db2.gz QBLIIYOBTXVSLA-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000183813944 847190613 /nfs/dbraw/zinc/19/06/13/847190613.db2.gz JRFMYPXBVFTAQH-CYBMUJFWSA-N 1 0 379.407 3.529 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2cc(C)c(C#N)cn2)n1 ZINC000420477782 847194555 /nfs/dbraw/zinc/19/45/55/847194555.db2.gz NLHDCTLBRNYGDU-UHFFFAOYSA-N 1 0 377.448 3.699 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000272933609 847211481 /nfs/dbraw/zinc/21/14/81/847211481.db2.gz KHUXNGYFRRLQDF-PCXSUYPWSA-N 1 0 397.544 3.718 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501858272 847283253 /nfs/dbraw/zinc/28/32/53/847283253.db2.gz UMZXXLUCLZVSOW-ROUUACIJSA-N 1 0 389.540 3.513 20 30 GHEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000731665903 861796546 /nfs/dbraw/zinc/79/65/46/861796546.db2.gz HGHQHFLTLFZVTQ-QHCPKHFHSA-N 1 0 383.536 3.830 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC000503411617 847675764 /nfs/dbraw/zinc/67/57/64/847675764.db2.gz PNGCNGTVCAMXQH-RTWAWAEBSA-N 1 0 389.515 3.607 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2ccc(O)cc2)CC1)C(C)C ZINC000503412462 847677836 /nfs/dbraw/zinc/67/78/36/847677836.db2.gz UYCLHFUBGURVEV-QFIPXVFZSA-N 1 0 385.552 3.980 20 30 GHEDRO C[NH+](C)Cc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)c(F)c1 ZINC000414497098 847692688 /nfs/dbraw/zinc/69/26/88/847692688.db2.gz JQDCIHQRCZQXER-UHFFFAOYSA-N 1 0 378.455 3.672 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465579541 861824208 /nfs/dbraw/zinc/82/42/08/861824208.db2.gz XFIAJSGSZBSOAR-LJQANCHMSA-N 1 0 393.453 3.621 20 30 GHEDRO Cc1ccc(C[C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000127946002 847723245 /nfs/dbraw/zinc/72/32/45/847723245.db2.gz ABROLKQDPNVTCD-KRWDZBQOSA-N 1 0 396.560 3.777 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000502402404 847844035 /nfs/dbraw/zinc/84/40/35/847844035.db2.gz NJRFNXUHNBIMDG-LJQANCHMSA-N 1 0 379.504 3.696 20 30 GHEDRO C[C@@H](Sc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000158725362 848014249 /nfs/dbraw/zinc/01/42/49/848014249.db2.gz CTWINONJAGYBIB-QGZVFWFLSA-N 1 0 379.529 3.820 20 30 GHEDRO COc1cnc(N(c2cc(OC)cc3cccnc32)[C@@H](C)CCC[NH3+])c(C#N)c1 ZINC001167613465 848339721 /nfs/dbraw/zinc/33/97/21/848339721.db2.gz QTCONHCPZQTUTK-HNNXBMFYSA-N 1 0 391.475 3.784 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000604148248 861893321 /nfs/dbraw/zinc/89/33/21/861893321.db2.gz WQNUONITSPRLFL-QHCPKHFHSA-N 1 0 391.515 3.874 20 30 GHEDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000329648591 861898012 /nfs/dbraw/zinc/89/80/12/861898012.db2.gz JZSQWECOLGKBFW-FUHWJXTLSA-N 1 0 382.508 3.583 20 30 GHEDRO Cc1nc(SCC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c(C#N)c(C)c1C ZINC000609506415 848400091 /nfs/dbraw/zinc/40/00/91/848400091.db2.gz VBBKAKAPDBINNV-HNNXBMFYSA-N 1 0 396.560 3.607 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1OC ZINC000623753420 861906535 /nfs/dbraw/zinc/90/65/35/861906535.db2.gz YLVVCVIPYWIVHQ-HOCLYGCPSA-N 1 0 382.298 3.680 20 30 GHEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCc3c(CC#N)cccc3C2)cc1 ZINC000599925075 861916700 /nfs/dbraw/zinc/91/67/00/861916700.db2.gz ITCNLVOKRCBACM-JOCHJYFZSA-N 1 0 376.504 3.644 20 30 GHEDRO CC(C)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCC1 ZINC000178717006 848719517 /nfs/dbraw/zinc/71/95/17/848719517.db2.gz GOBFIQJWLRDSKK-SFHVURJKSA-N 1 0 398.551 3.619 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427393296 849018434 /nfs/dbraw/zinc/01/84/34/849018434.db2.gz YGGZUXZMISCGBE-AWEZNQCLSA-N 1 0 383.305 3.883 20 30 GHEDRO COc1ccc(CN[C@H]2CCCn3nc(C(C)C)nc32)cc1OCCCC#N ZINC000153789781 849020680 /nfs/dbraw/zinc/02/06/80/849020680.db2.gz XVEMFISOXUUYKS-KRWDZBQOSA-N 1 0 383.496 3.717 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)CC1 ZINC000731960210 861980248 /nfs/dbraw/zinc/98/02/48/861980248.db2.gz WIDPLXFGGBZFIE-FQEVSTJZSA-N 1 0 397.544 3.782 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000329669674 861980739 /nfs/dbraw/zinc/98/07/39/861980739.db2.gz MKZCQTCGXLBWFG-IBGZPJMESA-N 1 0 396.535 3.837 20 30 GHEDRO COc1cc(C[C@H](CO)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc(OC)c1 ZINC000481661363 861986416 /nfs/dbraw/zinc/98/64/16/861986416.db2.gz BSGZMQZUOUPFFR-CYFREDJKSA-N 1 0 394.515 3.784 20 30 GHEDRO Cn1cc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000583300239 849580471 /nfs/dbraw/zinc/58/04/71/849580471.db2.gz BQBILQBYUSDTIF-NRFANRHFSA-N 1 0 387.487 3.956 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000583339031 849656460 /nfs/dbraw/zinc/65/64/60/849656460.db2.gz QNMWVPRLNUBNAC-RBUKOAKNSA-N 1 0 392.341 3.934 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)ccc1C#N ZINC000572962041 849741699 /nfs/dbraw/zinc/74/16/99/849741699.db2.gz GKFGCKXTWLOTMZ-GOSISDBHSA-N 1 0 395.478 3.624 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000061503217 862058279 /nfs/dbraw/zinc/05/82/79/862058279.db2.gz ASNRWAOEURZVHX-XMSQKQJNSA-N 1 0 377.488 3.587 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@H]3CCN(c4sccc4C#N)C3=O)CCCC2)c1 ZINC000434877963 849846480 /nfs/dbraw/zinc/84/64/80/849846480.db2.gz BGKHUVKKURNZNE-IBGZPJMESA-N 1 0 395.528 3.835 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000180311300 862067384 /nfs/dbraw/zinc/06/73/84/862067384.db2.gz AUBMGBGBIBEMEM-KNQAVFIVSA-N 1 0 383.467 3.590 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000504088132 849891178 /nfs/dbraw/zinc/89/11/78/849891178.db2.gz YVNIASCNIFKHPV-SFHVURJKSA-N 1 0 393.531 3.989 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)CNc3cccc(C#N)c3)c2)CC1 ZINC000426419183 850085073 /nfs/dbraw/zinc/08/50/73/850085073.db2.gz KBCLRWLEHRJTSA-UHFFFAOYSA-N 1 0 376.504 3.518 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429663993 850101971 /nfs/dbraw/zinc/10/19/71/850101971.db2.gz VNASVDUBHNTSHV-HXUWFJFHSA-N 1 0 393.535 3.848 20 30 GHEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435125346 850104554 /nfs/dbraw/zinc/10/45/54/850104554.db2.gz WMQHCHUKTWCDAS-QGZVFWFLSA-N 1 0 375.476 3.627 20 30 GHEDRO N#CCCn1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c(-c2ccncc2)n1 ZINC000435130125 850111120 /nfs/dbraw/zinc/11/11/20/850111120.db2.gz OADPMRJDRSDBAY-OAQYLSRUSA-N 1 0 379.508 3.782 20 30 GHEDRO CCNC(=O)C1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCC1 ZINC000486857757 850172115 /nfs/dbraw/zinc/17/21/15/850172115.db2.gz SUGLKNMSDKLQGU-UHFFFAOYSA-N 1 0 377.488 3.533 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@H]1CCCC(C)(C)C1 ZINC000262334308 862100239 /nfs/dbraw/zinc/10/02/39/862100239.db2.gz BLZSDXZCVMTICJ-XWSJACJDSA-N 1 0 397.629 3.504 20 30 GHEDRO CC(=O)NCC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000329698137 862102667 /nfs/dbraw/zinc/10/26/67/862102667.db2.gz FNEJNMQTTGABST-FYYLOGMGSA-N 1 0 383.536 3.504 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424122941 850237316 /nfs/dbraw/zinc/23/73/16/850237316.db2.gz JKEXBKCEHABQFN-PKOBYXMFSA-N 1 0 383.565 3.743 20 30 GHEDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000514759005 850255444 /nfs/dbraw/zinc/25/54/44/850255444.db2.gz URTPYMUBGSGILZ-UHFFFAOYSA-N 1 0 391.519 3.929 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514819538 850346526 /nfs/dbraw/zinc/34/65/26/850346526.db2.gz WCGBYCBHKUWGLZ-FQEVSTJZSA-N 1 0 393.560 3.827 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001269938350 850350896 /nfs/dbraw/zinc/35/08/96/850350896.db2.gz GAYHETYBRPPVJC-HSZRJFAPSA-N 1 0 378.516 3.975 20 30 GHEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732207019 862129477 /nfs/dbraw/zinc/12/94/77/862129477.db2.gz KPUGDNFSERVJTG-HXUWFJFHSA-N 1 0 383.879 3.718 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1C#N ZINC000435563847 850647383 /nfs/dbraw/zinc/64/73/83/850647383.db2.gz FQDRHJIXXMITJQ-IBGZPJMESA-N 1 0 384.455 3.909 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1C#N ZINC000435566912 850650239 /nfs/dbraw/zinc/65/02/39/850650239.db2.gz XLAHITOUIMRXGS-UHFFFAOYSA-N 1 0 392.503 3.566 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000909255311 850663061 /nfs/dbraw/zinc/66/30/61/850663061.db2.gz IBVGVGVIWVWZGP-IBGZPJMESA-N 1 0 387.572 3.593 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1 ZINC000481741320 862169401 /nfs/dbraw/zinc/16/94/01/862169401.db2.gz NZEKZZJMCSJIDS-LEWJYISDSA-N 1 0 387.524 3.515 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000435766655 850839839 /nfs/dbraw/zinc/83/98/39/850839839.db2.gz ZJXSNKFIMRZZNX-QFIPXVFZSA-N 1 0 385.552 3.838 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CNc3ccc(C#N)cc3)cc2)C1 ZINC000604446383 862183871 /nfs/dbraw/zinc/18/38/71/862183871.db2.gz JKYQIELTORGLEL-RTBURBONSA-N 1 0 390.531 3.764 20 30 GHEDRO C[C@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000329715458 862208987 /nfs/dbraw/zinc/20/89/87/862208987.db2.gz VABLOVKFPNCFIM-SFHVURJKSA-N 1 0 398.551 3.557 20 30 GHEDRO CCC1(CNC(=O)Cc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000514062639 851203076 /nfs/dbraw/zinc/20/30/76/851203076.db2.gz HDWPULYEQGLFAN-UHFFFAOYSA-N 1 0 375.516 3.909 20 30 GHEDRO [NH2+]=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000262020158 851243687 /nfs/dbraw/zinc/24/36/87/851243687.db2.gz XQOPMOQWVBBJKW-LAUBAEHRSA-N 1 0 381.476 3.742 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000604482975 862225298 /nfs/dbraw/zinc/22/52/98/862225298.db2.gz FPJBJJCSJHCXLS-FQEVSTJZSA-N 1 0 377.492 3.727 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000434597037 851326460 /nfs/dbraw/zinc/32/64/60/851326460.db2.gz PCZRXFHJRYEIIO-FQEVSTJZSA-N 1 0 399.535 3.605 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000668837688 851331396 /nfs/dbraw/zinc/33/13/96/851331396.db2.gz KQYOEMVSJMCRSA-UZKOGDIHSA-N 1 0 397.563 3.579 20 30 GHEDRO C[NH+](C)CCN(Cc1cnc(CC(F)(F)F)s1)Cc1ccc(C#N)cc1 ZINC000894451729 851338591 /nfs/dbraw/zinc/33/85/91/851338591.db2.gz TWMRKMVUFKDZNB-UHFFFAOYSA-N 1 0 382.455 3.683 20 30 GHEDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000505782760 851390898 /nfs/dbraw/zinc/39/08/98/851390898.db2.gz JXDYFLHUGCXCLG-XMSQKQJNSA-N 1 0 391.515 3.588 20 30 GHEDRO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O ZINC000329728196 862242731 /nfs/dbraw/zinc/24/27/31/862242731.db2.gz HEOJTIKNULWKHN-FQEVSTJZSA-N 1 0 396.535 3.895 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000436342780 851487273 /nfs/dbraw/zinc/48/72/73/851487273.db2.gz JFJGEBGKWSFRPZ-HXUWFJFHSA-N 1 0 384.524 3.521 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488431947 851499149 /nfs/dbraw/zinc/49/91/49/851499149.db2.gz GHYYSPUTNMZWOU-GOSISDBHSA-N 1 0 381.442 3.880 20 30 GHEDRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488461582 851515270 /nfs/dbraw/zinc/51/52/70/851515270.db2.gz GRNLLFDIGAIVLU-KDOFPFPSSA-N 1 0 387.936 3.985 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1(CO)CCC1 ZINC000550096098 851555657 /nfs/dbraw/zinc/55/56/57/851555657.db2.gz UNFSZVQWLJACFT-JXFKEZNVSA-N 1 0 389.565 3.654 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000488509358 851572582 /nfs/dbraw/zinc/57/25/82/851572582.db2.gz VNACBWJRGNWVRW-DYESRHJHSA-N 1 0 379.529 3.677 20 30 GHEDRO Cc1nsc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C#N ZINC000436493721 851969260 /nfs/dbraw/zinc/96/92/60/851969260.db2.gz YEHKEIKGZNWNKG-AWEZNQCLSA-N 1 0 383.521 3.877 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c(C(F)(F)F)c1 ZINC000517446657 851974861 /nfs/dbraw/zinc/97/48/61/851974861.db2.gz LHQMDEDENUEUJX-INIZCTEOSA-N 1 0 377.341 3.611 20 30 GHEDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000329770987 862312149 /nfs/dbraw/zinc/31/21/49/862312149.db2.gz JITSFYLMRRZFOF-FCHUYYIVSA-N 1 0 385.552 3.616 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438180176 852096627 /nfs/dbraw/zinc/09/66/27/852096627.db2.gz YYZADRJJOSAUDR-QGZVFWFLSA-N 1 0 384.417 3.690 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CC1 ZINC000102066353 852137352 /nfs/dbraw/zinc/13/73/52/852137352.db2.gz FMOCKZYSONANPO-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO N#CC1CCC(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000570390301 852138362 /nfs/dbraw/zinc/13/83/62/852138362.db2.gz UJOYNEITWZSELJ-GMNCBBECSA-N 1 0 379.504 3.903 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180768405 862328697 /nfs/dbraw/zinc/32/86/97/862328697.db2.gz ROBBYDFTBFJIPL-UHFFFAOYSA-N 1 0 383.442 3.724 20 30 GHEDRO N#Cc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000550262674 852215057 /nfs/dbraw/zinc/21/50/57/852215057.db2.gz NNOSJGIIYMIYLH-QFIPXVFZSA-N 1 0 393.506 3.716 20 30 GHEDRO CC[NH+](CC)CCN(CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000438322953 852268049 /nfs/dbraw/zinc/26/80/49/852268049.db2.gz DOWWVTTVSYSFAZ-UHFFFAOYSA-N 1 0 382.508 3.551 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000489386308 852270325 /nfs/dbraw/zinc/27/03/25/852270325.db2.gz FNOWHBQFXYUAFU-JOCHJYFZSA-N 1 0 377.488 3.549 20 30 GHEDRO Cc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000028960562 852328977 /nfs/dbraw/zinc/32/89/77/852328977.db2.gz RETKWVYYPKMCQS-UHFFFAOYSA-N 1 0 396.922 3.667 20 30 GHEDRO CC(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000517739931 852330018 /nfs/dbraw/zinc/33/00/18/852330018.db2.gz RLOFYMKAIAJKDM-UHFFFAOYSA-N 1 0 378.520 3.955 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)[C@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC001270152922 852600997 /nfs/dbraw/zinc/60/09/97/852600997.db2.gz BVNWSEROVDCEKT-SIKLNZKXSA-N 1 0 391.515 3.815 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425679211 852606679 /nfs/dbraw/zinc/60/66/79/852606679.db2.gz XSTNUSCJJMGLTM-UHFFFAOYSA-N 1 0 394.523 3.586 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000506296246 852613433 /nfs/dbraw/zinc/61/34/33/852613433.db2.gz XOPZWSVTDIYVEE-LAUBAEHRSA-N 1 0 392.503 3.559 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000329855674 862376131 /nfs/dbraw/zinc/37/61/31/862376131.db2.gz UFKDVJFEUQOCKV-OAHLLOKOSA-N 1 0 399.564 3.871 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000429179179 862380833 /nfs/dbraw/zinc/38/08/33/862380833.db2.gz GQVVQLBUANKJOQ-ZMZPIMSZSA-N 1 0 375.881 3.504 20 30 GHEDRO N#Cc1cccc(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000516519888 852676492 /nfs/dbraw/zinc/67/64/92/852676492.db2.gz APPSLSLFRNTDNC-QFIPXVFZSA-N 1 0 376.504 3.660 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000489975406 852686134 /nfs/dbraw/zinc/68/61/34/852686134.db2.gz DHGOBVQGZOEKHT-LJQANCHMSA-N 1 0 395.341 3.598 20 30 GHEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCC(=O)c2cccn21 ZINC000329869180 862386350 /nfs/dbraw/zinc/38/63/50/862386350.db2.gz YLAWEGGFNHFHLP-QGZVFWFLSA-N 1 0 375.538 3.714 20 30 GHEDRO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507298459 852760451 /nfs/dbraw/zinc/76/04/51/852760451.db2.gz TYKDQHUIZYKQBW-RTBURBONSA-N 1 0 390.531 3.509 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](C(C)(C)C)CC1 ZINC000669033171 852790661 /nfs/dbraw/zinc/79/06/61/852790661.db2.gz JBUGFBQLLBSGMF-QRVBRYPASA-N 1 0 387.572 3.652 20 30 GHEDRO CCN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(c2ccccc2)C1=O ZINC000437156264 852807742 /nfs/dbraw/zinc/80/77/42/852807742.db2.gz OKZCCFWYTYXCBZ-SFHVURJKSA-N 1 0 385.414 3.787 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(C#N)cc1Cl ZINC000426135266 852820291 /nfs/dbraw/zinc/82/02/91/852820291.db2.gz CRNPIXDGENAUPX-UHFFFAOYSA-N 1 0 383.883 3.916 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000490216855 852854571 /nfs/dbraw/zinc/85/45/71/852854571.db2.gz NBJKGGCBWGPCCA-UHFFFAOYSA-N 1 0 375.561 3.674 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000507422600 852901181 /nfs/dbraw/zinc/90/11/81/852901181.db2.gz BYMWFRISACCISA-JTSKRJEESA-N 1 0 385.471 3.590 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)CC2)c1 ZINC000507469196 852940131 /nfs/dbraw/zinc/94/01/31/852940131.db2.gz PSUSFCTUGZGMEJ-UHFFFAOYSA-N 1 0 383.511 3.844 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000507492519 852974483 /nfs/dbraw/zinc/97/44/83/852974483.db2.gz PFXOXQVJWUNMAD-HRAATJIYSA-N 1 0 379.479 3.927 20 30 GHEDRO COc1ccccc1NC(=S)C(C(=O)c1c(C)noc1C)[n+]1cccc(C)c1 ZINC000186951677 862430482 /nfs/dbraw/zinc/43/04/82/862430482.db2.gz LTPAVBWMXCCBEW-UHFFFAOYSA-O 1 0 396.492 3.947 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000507645536 853146106 /nfs/dbraw/zinc/14/61/06/853146106.db2.gz IHOXZHMSZVBUST-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000490656489 853160502 /nfs/dbraw/zinc/16/05/02/853160502.db2.gz PUONRBDOQXPGGD-LJQANCHMSA-N 1 0 392.494 3.847 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000329930563 862434016 /nfs/dbraw/zinc/43/40/16/862434016.db2.gz OOEHQLLAORVKLI-INIZCTEOSA-N 1 0 387.499 3.932 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000506461295 853176532 /nfs/dbraw/zinc/17/65/32/853176532.db2.gz AJKAPROIHUTSBL-GOSISDBHSA-N 1 0 391.943 3.933 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H]3c3cc(C)no3)c2)CC1 ZINC000329933008 862435640 /nfs/dbraw/zinc/43/56/40/862435640.db2.gz PTLICUMBFRCKEB-LJQANCHMSA-N 1 0 383.496 3.508 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000159533829 862441846 /nfs/dbraw/zinc/44/18/46/862441846.db2.gz XDEZFOWVYSDYIY-OXJNMPFZSA-N 1 0 382.508 3.826 20 30 GHEDRO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000437535615 853238108 /nfs/dbraw/zinc/23/81/08/853238108.db2.gz LXQLLGAUAVARPT-ROUUACIJSA-N 1 0 396.478 3.533 20 30 GHEDRO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000437535619 853238405 /nfs/dbraw/zinc/23/84/05/853238405.db2.gz LXQLLGAUAVARPT-ZWKOTPCHSA-N 1 0 396.478 3.533 20 30 GHEDRO CC[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000329941161 862442211 /nfs/dbraw/zinc/44/22/11/862442211.db2.gz GNVHQZQUTHGFHD-BWAGFHJFSA-N 1 0 395.551 3.517 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329959557 862457687 /nfs/dbraw/zinc/45/76/87/862457687.db2.gz RDTGXECEYNKANL-LJQANCHMSA-N 1 0 398.486 3.921 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCC#N)c2ccc(F)c(F)c2)c1 ZINC000491005276 853385737 /nfs/dbraw/zinc/38/57/37/853385737.db2.gz KMVRYHVQCXCHRJ-IBGZPJMESA-N 1 0 378.444 3.741 20 30 GHEDRO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C(C)(C)C1 ZINC000329964265 862463865 /nfs/dbraw/zinc/46/38/65/862463865.db2.gz UKKLTQOZCBUECL-HNNXBMFYSA-N 1 0 375.538 3.584 20 30 GHEDRO CC[NH+]=C(NCCc1c[nH]c2cccc(C)c12)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261946925 853435063 /nfs/dbraw/zinc/43/50/63/853435063.db2.gz GDFRCEJGTFIYCC-UWJYYQICSA-N 1 0 392.551 3.764 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000491067712 853435499 /nfs/dbraw/zinc/43/54/99/853435499.db2.gz RPJOALFQAKSGBM-HMFYCAOWSA-N 1 0 377.536 3.796 20 30 GHEDRO CCCc1c(NC(=O)NC[C@@H]2CC[N@@H+](CCC)C2)cnn1-c1cccc(C#N)c1 ZINC000439229190 853448675 /nfs/dbraw/zinc/44/86/75/853448675.db2.gz KMSPNPBOFFHQAV-SFHVURJKSA-N 1 0 394.523 3.550 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000329968925 862465560 /nfs/dbraw/zinc/46/55/60/862465560.db2.gz WYUZHJDCTNSUPS-CEXWTWQISA-N 1 0 386.540 3.870 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000518517890 853462188 /nfs/dbraw/zinc/46/21/88/853462188.db2.gz SKTMWDBGEKPINJ-FXAWDEMLSA-N 1 0 398.478 3.522 20 30 GHEDRO COc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000519793684 853476456 /nfs/dbraw/zinc/47/64/56/853476456.db2.gz CTOACBOIADJKFZ-FXAWDEMLSA-N 1 0 398.532 3.511 20 30 GHEDRO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000481880862 862469163 /nfs/dbraw/zinc/46/91/63/862469163.db2.gz FQEYLWMFLIHERJ-UHFFFAOYSA-N 1 0 384.288 3.727 20 30 GHEDRO C[C@@H]1C[C@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157080515 853511035 /nfs/dbraw/zinc/51/10/35/853511035.db2.gz WCXQKZLKYGRUMN-IFMALSPDSA-N 1 0 396.579 3.656 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC(C)(C)C)cc1 ZINC000055015194 853630234 /nfs/dbraw/zinc/63/02/34/853630234.db2.gz CJIAAOXIAYALPP-UHFFFAOYSA-O 1 0 386.497 3.772 20 30 GHEDRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000439459623 853661377 /nfs/dbraw/zinc/66/13/77/853661377.db2.gz WIOVINALBIXLEC-UHFFFAOYSA-N 1 0 386.879 3.838 20 30 GHEDRO O=C(N[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1)c1cc2ccccc2o1 ZINC000440934136 853765176 /nfs/dbraw/zinc/76/51/76/853765176.db2.gz IPWXKLZJABDHNP-HXUWFJFHSA-N 1 0 376.431 3.818 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000520132014 853865020 /nfs/dbraw/zinc/86/50/20/853865020.db2.gz CJEQYYBBJODPMB-UTKZUKDTSA-N 1 0 388.512 3.803 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000571396496 853866739 /nfs/dbraw/zinc/86/67/39/853866739.db2.gz GGEOTNKOCHBHGM-SFHVURJKSA-N 1 0 390.405 3.638 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000481912160 862509517 /nfs/dbraw/zinc/50/95/17/862509517.db2.gz IOBCZRGMEBJVMW-UPVQGACJSA-N 1 0 375.516 3.816 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000520168902 853922310 /nfs/dbraw/zinc/92/23/10/853922310.db2.gz GISRLOPUQFFBJQ-UHFFFAOYSA-N 1 0 386.499 3.844 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000151393907 853930678 /nfs/dbraw/zinc/93/06/78/853930678.db2.gz YCBZFBXBUTYOJZ-ZDUSSCGKSA-N 1 0 377.366 3.964 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000571812487 854165275 /nfs/dbraw/zinc/16/52/75/854165275.db2.gz LFLVRIGUDDCJPW-DLBZAZTESA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]([C@H](C)CO)C1CCCC1 ZINC000588204895 854216588 /nfs/dbraw/zinc/21/65/88/854216588.db2.gz HUQIMNBLEVWNEC-HZPDHXFCSA-N 1 0 375.538 3.502 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21)[NH+](C)C ZINC000588665596 854316300 /nfs/dbraw/zinc/31/63/00/854316300.db2.gz JGHBWAIDZWZBRH-XGRCMKMKSA-N 1 0 376.504 3.845 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000588652691 854327686 /nfs/dbraw/zinc/32/76/86/854327686.db2.gz PCNMVZGFGKMFPP-NJDAHSKKSA-N 1 0 382.552 3.916 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C#N)c(C(F)(F)F)c3)cn2)CC1 ZINC000067368142 854444339 /nfs/dbraw/zinc/44/43/39/854444339.db2.gz FWAWBTRFPIAACS-UHFFFAOYSA-N 1 0 389.425 3.726 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000328624653 854484963 /nfs/dbraw/zinc/48/49/63/854484963.db2.gz ZSUBIQIAXWXACH-GOSISDBHSA-N 1 0 387.499 3.509 20 30 GHEDRO Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000328657448 854491388 /nfs/dbraw/zinc/49/13/88/854491388.db2.gz PAIWVOBIGOUJLO-LEWJYISDSA-N 1 0 395.551 3.579 20 30 GHEDRO Cc1cc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)nc(C)n1 ZINC000328602189 854501965 /nfs/dbraw/zinc/50/19/65/854501965.db2.gz GQYIGSNHOKRCRC-RBUKOAKNSA-N 1 0 399.926 3.775 20 30 GHEDRO CC(C)c1nnc2ccc(NC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cn21 ZINC000328754794 854529323 /nfs/dbraw/zinc/52/93/23/854529323.db2.gz SNECWTILVWHRHK-MSOLQXFVSA-N 1 0 398.555 3.985 20 30 GHEDRO CC1(C)CC(NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000328947164 854612619 /nfs/dbraw/zinc/61/26/19/854612619.db2.gz GRWGXIAKMOPMDF-YJBOKZPZSA-N 1 0 377.504 3.716 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 ZINC000328926000 854624612 /nfs/dbraw/zinc/62/46/12/854624612.db2.gz WELJKTNKJDYACS-NJAFHUGGSA-N 1 0 389.565 3.726 20 30 GHEDRO CCc1cc(N2CCC[C@@H](/[NH+]=C\c3ccc(N(CC)CC)cc3O)C2)ncn1 ZINC000732913411 862586907 /nfs/dbraw/zinc/58/69/07/862586907.db2.gz URZKUKFGOUMSRM-JVMBGAFUSA-N 1 0 381.524 3.679 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]1C[C@]12CCOc1ccccc12)C1([NH+]2CCOCC2)CCCC1 ZINC000330119529 862588034 /nfs/dbraw/zinc/58/80/34/862588034.db2.gz FXTWULNLFGNXAJ-LZNRXBQRSA-N 1 0 384.520 3.717 20 30 GHEDRO Clc1ccc(-c2noc(N=NC3CC[NH+](Cc4ccccn4)CC3)n2)cc1 ZINC000732925278 862592667 /nfs/dbraw/zinc/59/26/67/862592667.db2.gz IGIWUHYXWMMHLN-UHFFFAOYSA-N 1 0 382.855 3.849 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330120858 862592758 /nfs/dbraw/zinc/59/27/58/862592758.db2.gz JFWFMBDWBPDVPH-UXHICEINSA-N 1 0 381.524 3.619 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000438528615 854719086 /nfs/dbraw/zinc/71/90/86/854719086.db2.gz HMHBIMPULBYHNC-UHFFFAOYSA-N 1 0 385.537 3.908 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000589246408 854758566 /nfs/dbraw/zinc/75/85/66/854758566.db2.gz YUWXRINRJUCFPC-UHFFFAOYSA-N 1 0 399.498 3.577 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000589284614 854783291 /nfs/dbraw/zinc/78/32/91/854783291.db2.gz ILBYUEABBSVCIB-PNHOKKKMSA-N 1 0 382.895 3.574 20 30 GHEDRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)s1 ZINC000330974383 854789254 /nfs/dbraw/zinc/78/92/54/854789254.db2.gz LFJORQPTDGUKDJ-NSHDSACASA-N 1 0 388.331 3.761 20 30 GHEDRO CCNC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000331137839 854812595 /nfs/dbraw/zinc/81/25/95/854812595.db2.gz DHUAUVFJOWNEMI-NVXWUHKLSA-N 1 0 375.517 3.691 20 30 GHEDRO COC(=O)c1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc(Cl)c1F ZINC000331140227 854813899 /nfs/dbraw/zinc/81/38/99/854813899.db2.gz QYUDEWWTNGRGKL-UHFFFAOYSA-N 1 0 385.867 3.855 20 30 GHEDRO CC(C)c1cc(Br)ccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000331148685 854815230 /nfs/dbraw/zinc/81/52/30/854815230.db2.gz BDYSROTZNQTIQI-KBPBESRZSA-N 1 0 398.345 3.505 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H]1CCOc3c(-c4ccccc4)cccc31)C2 ZINC000520445406 854816017 /nfs/dbraw/zinc/81/60/17/854816017.db2.gz ADSIUBHNQJLGTL-HRAATJIYSA-N 1 0 385.471 3.577 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)C[C@H]1C ZINC000330140900 862609378 /nfs/dbraw/zinc/60/93/78/862609378.db2.gz XGPNKKQRABGBAH-KPFFTGBYSA-N 1 0 375.513 3.595 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000053601648 854846638 /nfs/dbraw/zinc/84/66/38/854846638.db2.gz HCWRPPISRBNJDM-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC2(CO)CC2)cc1OCC ZINC000188960735 854977770 /nfs/dbraw/zinc/97/77/70/854977770.db2.gz AMQUMZJXYMPYQC-UHFFFAOYSA-N 1 0 384.314 3.617 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1[C@@H](C)CCC ZINC000669334605 855031316 /nfs/dbraw/zinc/03/13/16/855031316.db2.gz CGUBGGOHYFTPRE-YRPNKDGESA-N 1 0 387.572 3.795 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000589631435 855081887 /nfs/dbraw/zinc/08/18/87/855081887.db2.gz RXHSMEMVWDJTRQ-FQEVSTJZSA-N 1 0 394.494 3.799 20 30 GHEDRO O=C(Nc1nc(CN2CCCCC2)cs1)N[C@H]1CCOC2(CCCC2)C1 ZINC000330181478 862641669 /nfs/dbraw/zinc/64/16/69/862641669.db2.gz OCZIGLCCMXUWCX-HNNXBMFYSA-N 1 0 378.542 3.947 20 30 GHEDRO [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000330182204 862641781 /nfs/dbraw/zinc/64/17/81/862641781.db2.gz HBPUWPQUJPNHGD-HZPDHXFCSA-N 1 0 389.297 3.712 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1F)c1cccc(OC)c1 ZINC000105644368 855128648 /nfs/dbraw/zinc/12/86/48/855128648.db2.gz RCWULOMBZJZMGU-OAQYLSRUSA-N 1 0 398.482 3.588 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000330184499 862643692 /nfs/dbraw/zinc/64/36/92/862643692.db2.gz INNNPGDOIAPRBO-QFUCXCTJSA-N 1 0 383.536 3.645 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000330186241 862645171 /nfs/dbraw/zinc/64/51/71/862645171.db2.gz RXEZXZUQYDMFNB-NMIHRBCNSA-N 1 0 385.552 3.594 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)CC1 ZINC000042324728 862652388 /nfs/dbraw/zinc/65/23/88/862652388.db2.gz HONCCFXBZBKZOE-UHFFFAOYSA-N 1 0 376.504 3.790 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(C)C ZINC000498375552 855287129 /nfs/dbraw/zinc/28/71/29/855287129.db2.gz PYEQCACMBUBIQJ-SFHVURJKSA-N 1 0 385.552 3.907 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cnc1C(F)(F)F ZINC000590210745 855322329 /nfs/dbraw/zinc/32/23/29/855322329.db2.gz YSMYWZSCASMFQE-UHFFFAOYSA-N 1 0 394.441 3.700 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H](c3ccccc3F)C3CCCC3)n2)CC1 ZINC000330218456 862669428 /nfs/dbraw/zinc/66/94/28/862669428.db2.gz ORTAPGINJOLCDH-OAQYLSRUSA-N 1 0 399.514 3.968 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)CN(Cc2ccco2)Cc2cccs2)cc1 ZINC000025867146 855366039 /nfs/dbraw/zinc/36/60/39/855366039.db2.gz STZMINFRPHCZRG-SFHVURJKSA-N 1 0 382.485 3.849 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCC#Cc3ccccc3)c2)CC1 ZINC000590306512 855369419 /nfs/dbraw/zinc/36/94/19/855369419.db2.gz UXBNQDFJDFLTDA-UHFFFAOYSA-N 1 0 375.516 3.769 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000624124230 862671690 /nfs/dbraw/zinc/67/16/90/862671690.db2.gz AQJDPIXULNGGKP-RBBKRZOGSA-N 1 0 397.563 3.523 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000330249381 862692805 /nfs/dbraw/zinc/69/28/05/862692805.db2.gz GPAJMWARFGTKNR-MOPGFXCFSA-N 1 0 375.561 3.712 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1C#N ZINC000590756114 855564932 /nfs/dbraw/zinc/56/49/32/855564932.db2.gz GMXWWHUYXKJPLF-DUXKGJEZSA-N 1 0 398.551 3.823 20 30 GHEDRO N#Cc1cc(Cl)ccc1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000301213413 855641068 /nfs/dbraw/zinc/64/10/68/855641068.db2.gz WKOJVUVBJFMKGY-KRWDZBQOSA-N 1 0 382.895 3.521 20 30 GHEDRO N#CCCn1cc(C[NH+]2CC(Cc3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000590968530 855679687 /nfs/dbraw/zinc/67/96/87/855679687.db2.gz VPSCOOUZANDWES-UHFFFAOYSA-N 1 0 375.451 3.672 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)c2ccccc2)CC1 ZINC000465722235 855697077 /nfs/dbraw/zinc/69/70/77/855697077.db2.gz LBDUFKXGUXYDKD-QFIPXVFZSA-N 1 0 394.494 3.970 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000573036029 855698034 /nfs/dbraw/zinc/69/80/34/855698034.db2.gz OPBQUKAFGRTZED-UHFFFAOYSA-N 1 0 386.492 3.573 20 30 GHEDRO O=C(C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1cccc(Br)c1 ZINC000330273691 862712587 /nfs/dbraw/zinc/71/25/87/862712587.db2.gz ZOHIDROOWXTNPU-HYVNUMGLSA-N 1 0 379.298 3.974 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cn1 ZINC000591019583 855724613 /nfs/dbraw/zinc/72/46/13/855724613.db2.gz DFGBZKFBHXVFLO-CQSZACIVSA-N 1 0 398.532 3.609 20 30 GHEDRO CC(C)c1nc2ccc(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2s1 ZINC000330276366 862714803 /nfs/dbraw/zinc/71/48/03/862714803.db2.gz MUMLPANITKWQCR-OAHLLOKOSA-N 1 0 388.537 3.619 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1Cl)C(C)C ZINC000134916332 855741188 /nfs/dbraw/zinc/74/11/88/855741188.db2.gz PZBCQIORJGKCHE-IBGZPJMESA-N 1 0 377.916 3.727 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301885841 855775010 /nfs/dbraw/zinc/77/50/10/855775010.db2.gz PNMGLBYSKWQRNM-MOPGFXCFSA-N 1 0 392.890 3.807 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000302041694 855806358 /nfs/dbraw/zinc/80/63/58/855806358.db2.gz IGUBUOXWIVJPGG-FQEVSTJZSA-N 1 0 390.462 3.733 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(Nc3cc(C#N)ccc3[N+](=O)[O-])cc2)CC1 ZINC000302195255 855833568 /nfs/dbraw/zinc/83/35/68/855833568.db2.gz DQRZVOWHANNSHO-UHFFFAOYSA-N 1 0 379.464 3.988 20 30 GHEDRO COCCC[NH+]1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000237208982 855850147 /nfs/dbraw/zinc/85/01/47/855850147.db2.gz RULJFALTFNALIZ-UHFFFAOYSA-N 1 0 393.531 3.728 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000591277478 855880151 /nfs/dbraw/zinc/88/01/51/855880151.db2.gz PADDRDGUWUAKDB-QZTJIDSGSA-N 1 0 391.475 3.599 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000302798442 855936222 /nfs/dbraw/zinc/93/62/22/855936222.db2.gz RLMBWERDLZLBPS-QGZVFWFLSA-N 1 0 390.409 3.675 20 30 GHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000520661954 855945816 /nfs/dbraw/zinc/94/58/16/855945816.db2.gz LQLJHDXJLBAISF-YHELAOLJSA-N 1 0 395.551 3.628 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)CC1 ZINC000520686113 856018538 /nfs/dbraw/zinc/01/85/38/856018538.db2.gz PTMJSGRJYVZDNG-IBGZPJMESA-N 1 0 378.516 3.811 20 30 GHEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508898714 856073970 /nfs/dbraw/zinc/07/39/70/856073970.db2.gz MFTXJQUOYQHMPJ-JTSKRJEESA-N 1 0 376.504 3.924 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000438633798 856109020 /nfs/dbraw/zinc/10/90/20/856109020.db2.gz HHOYNJGFBZMJPP-KRWDZBQOSA-N 1 0 390.409 3.871 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCCO4)CC2)cc1 ZINC000171382887 856113237 /nfs/dbraw/zinc/11/32/37/856113237.db2.gz ZTRIJGHGAZFPBY-UHFFFAOYSA-N 1 0 390.487 3.623 20 30 GHEDRO C=CCCOCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605103220 862759006 /nfs/dbraw/zinc/75/90/06/862759006.db2.gz LYCQDEXZFFARLL-LPHOPBHVSA-N 1 0 384.442 3.797 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000482164147 862764184 /nfs/dbraw/zinc/76/41/84/862764184.db2.gz OHVSPDAEFCIWGQ-RZUBCFFCSA-N 1 0 384.568 3.812 20 30 GHEDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000591762938 856229976 /nfs/dbraw/zinc/22/99/76/856229976.db2.gz LBHIFLNQTIEAOQ-DNVCBOLYSA-N 1 0 392.421 3.904 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000591764206 856230576 /nfs/dbraw/zinc/23/05/76/856230576.db2.gz WNWKLHOPJANKSU-VQIMIIECSA-N 1 0 376.378 3.594 20 30 GHEDRO CC(C)(CC#N)C[NH2+]C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000591770224 856291370 /nfs/dbraw/zinc/29/13/70/856291370.db2.gz LAVLNTNPWWFQNL-HXUWFJFHSA-N 1 0 388.458 3.961 20 30 GHEDRO COc1ccc([C@H]2C[C@H]([NH+]3CCN(c4ccc(C#N)cc4)CC3)CCO2)cc1 ZINC001168662434 856294174 /nfs/dbraw/zinc/29/41/74/856294174.db2.gz OJBHVYHLFBBGNO-FYYLOGMGSA-N 1 0 377.488 3.609 20 30 GHEDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000485268553 856295106 /nfs/dbraw/zinc/29/51/06/856295106.db2.gz DZJJLBVWMUTGDT-QLOJAFMTSA-N 1 0 397.519 3.544 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000109404871 856296150 /nfs/dbraw/zinc/29/61/50/856296150.db2.gz QLNFSNNULNKUJP-UHFFFAOYSA-N 1 0 378.501 3.756 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(Br)c3)C2=O)cc1 ZINC000485293023 856323471 /nfs/dbraw/zinc/32/34/71/856323471.db2.gz WYCMTRBDHZYPMF-GOSISDBHSA-N 1 0 384.277 3.606 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000046033412 856370457 /nfs/dbraw/zinc/37/04/57/856370457.db2.gz YILSZSGEDNNBFE-UHFFFAOYSA-N 1 0 398.429 3.741 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)cc1 ZINC000592178025 856680037 /nfs/dbraw/zinc/68/00/37/856680037.db2.gz UQUNEBRAVREZDK-JOCHJYFZSA-N 1 0 375.472 3.546 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000058432335 856759658 /nfs/dbraw/zinc/75/96/58/856759658.db2.gz WWKDSCUHUZFIFG-UHFFFAOYSA-N 1 0 398.551 3.839 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(Oc3ccccc3)c2)CC1 ZINC000592294836 856767496 /nfs/dbraw/zinc/76/74/96/856767496.db2.gz NSPWZIGKGACYTE-UHFFFAOYSA-N 1 0 380.492 3.714 20 30 GHEDRO C[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000465886497 856769082 /nfs/dbraw/zinc/76/90/82/856769082.db2.gz JKTGTCMPDBEMLS-OIBXWCBGSA-N 1 0 390.531 3.988 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000592297022 856769336 /nfs/dbraw/zinc/76/93/36/856769336.db2.gz SDFBVQYUJYHTJO-UHFFFAOYSA-N 1 0 394.357 3.906 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccccc2Br)CC1 ZINC000674779383 856782088 /nfs/dbraw/zinc/78/20/88/856782088.db2.gz VMXIFBPRUYYUFY-SFHVURJKSA-N 1 0 392.341 3.946 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508907884 856794751 /nfs/dbraw/zinc/79/47/51/856794751.db2.gz PEVXXMRZFLHSPI-GOSISDBHSA-N 1 0 385.581 3.766 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ncc(C#N)cc3Cl)cc2)CC1 ZINC000427910305 856868292 /nfs/dbraw/zinc/86/82/92/856868292.db2.gz GGMJQBMCOOQWAZ-UHFFFAOYSA-N 1 0 382.895 3.769 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2ccccc2)c1C#N ZINC000007424001 856914460 /nfs/dbraw/zinc/91/44/60/856914460.db2.gz RGSNJHJRINWTKU-MRXNPFEDSA-N 1 0 376.460 3.907 20 30 GHEDRO N#Cc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063799513 857059547 /nfs/dbraw/zinc/05/95/47/857059547.db2.gz YOBROPVTMWHRLR-UHFFFAOYSA-N 1 0 376.504 3.934 20 30 GHEDRO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282169261 857095119 /nfs/dbraw/zinc/09/51/19/857095119.db2.gz DXMJXMJDZPGXPJ-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC000129077781 857172194 /nfs/dbraw/zinc/17/21/94/857172194.db2.gz GUZZNDGEOSWBMR-UHFFFAOYSA-N 1 0 399.498 3.974 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1 ZINC000485879957 857181661 /nfs/dbraw/zinc/18/16/61/857181661.db2.gz HWRUWBPWEYBVHB-ZRBLBEILSA-N 1 0 394.540 3.990 20 30 GHEDRO CC(C)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000428227341 857208347 /nfs/dbraw/zinc/20/83/47/857208347.db2.gz IVVBSOULYKRNLA-INIZCTEOSA-N 1 0 388.581 3.632 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)CCOCC1)c1ccccc1 ZINC000906690363 857243534 /nfs/dbraw/zinc/24/35/34/857243534.db2.gz FWNBYCQLCPHGNC-OHYLTARVSA-N 1 0 395.547 3.723 20 30 GHEDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000112990531 857248279 /nfs/dbraw/zinc/24/82/79/857248279.db2.gz DIRREYWABLQSHT-OAHLLOKOSA-N 1 0 375.538 3.576 20 30 GHEDRO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000593076434 857338329 /nfs/dbraw/zinc/33/83/29/857338329.db2.gz CEDJJWLOFSYHCX-OXQOHEQNSA-N 1 0 380.492 3.788 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc2ccccc2n1 ZINC000486065131 857380349 /nfs/dbraw/zinc/38/03/49/857380349.db2.gz RZRDECIRAKOXNG-UHFFFAOYSA-N 1 0 386.499 3.629 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2cccc(C#N)c2)c2cccs2)CC1 ZINC000042310988 857381048 /nfs/dbraw/zinc/38/10/48/857381048.db2.gz MWJPCIDVMVQOHV-LJQANCHMSA-N 1 0 382.533 3.892 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)CCc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000113236914 857382695 /nfs/dbraw/zinc/38/26/95/857382695.db2.gz YQHQBGLMYQYKIG-LJQANCHMSA-N 1 0 391.515 3.507 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@@H+](C)CC(C)C)cc1C ZINC000593203520 857392450 /nfs/dbraw/zinc/39/24/50/857392450.db2.gz MFCBXLCUIITGPD-UHFFFAOYSA-N 1 0 395.551 3.788 20 30 GHEDRO CCC1CCC(N(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C2CC2)CC1 ZINC000330325570 862906877 /nfs/dbraw/zinc/90/68/77/862906877.db2.gz UREDYJSWXIYLAQ-JBBFKITRSA-N 1 0 377.573 3.711 20 30 GHEDRO Cc1cccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000520918497 857403815 /nfs/dbraw/zinc/40/38/15/857403815.db2.gz PUNXBGZXIXLZCS-CQSZACIVSA-N 1 0 382.533 3.909 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000113367768 857445484 /nfs/dbraw/zinc/44/54/84/857445484.db2.gz HSZYCTOOCBRULW-QGZVFWFLSA-N 1 0 378.476 3.580 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000520989759 857464805 /nfs/dbraw/zinc/46/48/05/857464805.db2.gz JPYBCVLPPVNTHQ-IBGZPJMESA-N 1 0 379.504 3.696 20 30 GHEDRO C[C@]1(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000593383490 857561946 /nfs/dbraw/zinc/56/19/46/857561946.db2.gz WQLVXGZJNWCSOY-GMAHTHKFSA-N 1 0 376.504 3.995 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1OC(F)(F)F ZINC000442181768 857590893 /nfs/dbraw/zinc/59/08/93/857590893.db2.gz DJUMWYUKLSGJKT-HNNXBMFYSA-N 1 0 382.386 3.549 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593534224 857616041 /nfs/dbraw/zinc/61/60/41/857616041.db2.gz ISIMYYZTPDRRLM-SCTDSRPQSA-N 1 0 389.565 3.514 20 30 GHEDRO C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027215808 857659576 /nfs/dbraw/zinc/65/95/76/857659576.db2.gz RSAGZSALZRLXAU-QFIPXVFZSA-N 1 0 377.488 3.914 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031565557 857754444 /nfs/dbraw/zinc/75/44/44/857754444.db2.gz KVEVULVJJJYRMS-LJQANCHMSA-N 1 0 388.471 3.645 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CC[NH+]2CCCCC2)cc1C ZINC000593883381 857756315 /nfs/dbraw/zinc/75/63/15/857756315.db2.gz MICGNAQBUZWUJU-UHFFFAOYSA-N 1 0 393.535 3.639 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508908678 857786845 /nfs/dbraw/zinc/78/68/45/857786845.db2.gz VIZXLZADZIJADL-LJQANCHMSA-N 1 0 395.551 3.753 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508908676 857787039 /nfs/dbraw/zinc/78/70/39/857787039.db2.gz VIZXLZADZIJADL-IBGZPJMESA-N 1 0 395.551 3.753 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000113933912 857795069 /nfs/dbraw/zinc/79/50/69/857795069.db2.gz FGQKSBJIAKFXAM-DLBZAZTESA-N 1 0 388.943 3.737 20 30 GHEDRO Cc1c(C(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)cnn1-c1cc(C)ccc1C ZINC000330335031 862979950 /nfs/dbraw/zinc/97/99/50/862979950.db2.gz RDCTYBPZSYQOBZ-DYESRHJHSA-N 1 0 393.491 3.756 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 ZINC001168597170 858082104 /nfs/dbraw/zinc/08/21/04/858082104.db2.gz XHEJOYPLDZIEDR-SFTDATJTSA-N 1 0 391.519 3.927 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000066389416 858103973 /nfs/dbraw/zinc/10/39/73/858103973.db2.gz FTGHEZNKMHVWOJ-MRXNPFEDSA-N 1 0 397.906 3.877 20 30 GHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000442791471 858135940 /nfs/dbraw/zinc/13/59/40/858135940.db2.gz LPEKULMCQHHPSA-UHFFFAOYSA-N 1 0 389.421 3.804 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000159778179 862991860 /nfs/dbraw/zinc/99/18/60/862991860.db2.gz ILVURWLWKAATKM-JOCHJYFZSA-N 1 0 392.503 3.873 20 30 GHEDRO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000594431693 858175293 /nfs/dbraw/zinc/17/52/93/858175293.db2.gz PSUVUFXOVMKQGX-MGPUTAFESA-N 1 0 396.466 3.666 20 30 GHEDRO COc1ccccc1[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594433211 858176577 /nfs/dbraw/zinc/17/65/77/858176577.db2.gz MIEAXIBUHKDEHH-AZUAARDMSA-N 1 0 385.895 3.965 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000594433249 858176728 /nfs/dbraw/zinc/17/67/28/858176728.db2.gz MTMYQPPSLLZJID-HNNXBMFYSA-N 1 0 396.438 3.856 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000594449984 858179642 /nfs/dbraw/zinc/17/96/42/858179642.db2.gz QQNKJVYXETVPMZ-MSOLQXFVSA-N 1 0 392.341 3.784 20 30 GHEDRO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000594427999 858185249 /nfs/dbraw/zinc/18/52/49/858185249.db2.gz KIJLEKOEBGHGLJ-OXJNMPFZSA-N 1 0 393.491 3.919 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000594428063 858185451 /nfs/dbraw/zinc/18/54/51/858185451.db2.gz KVZCDSKMBCAURA-UZLBHIALSA-N 1 0 378.476 3.527 20 30 GHEDRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594427037 858185538 /nfs/dbraw/zinc/18/55/38/858185538.db2.gz UGJQRVAJVVTLBJ-OAHLLOKOSA-N 1 0 399.322 3.582 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc(C#N)c3C)CC[N@@H+]2C2CC2)c1 ZINC000249097526 863003371 /nfs/dbraw/zinc/00/33/71/863003371.db2.gz VSPZBIAVGZQAQF-VXKWHMMOSA-N 1 0 390.487 3.975 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc(NC(=O)[C@H]4CCCO4)c3)cc2)CC1 ZINC000594918776 858304852 /nfs/dbraw/zinc/30/48/52/858304852.db2.gz SGFIRLJWFNDXAV-OAQYLSRUSA-N 1 0 375.472 3.649 20 30 GHEDRO N#Cc1cccc(OCC[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000066830709 858316302 /nfs/dbraw/zinc/31/63/02/858316302.db2.gz DOFWGWAGSKNAOM-UHFFFAOYSA-N 1 0 398.894 3.830 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000574813489 858325763 /nfs/dbraw/zinc/32/57/63/858325763.db2.gz NLVXRQRHGKYFAY-GOTSBHOMSA-N 1 0 384.483 3.588 20 30 GHEDRO C=C(Br)COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733530400 863011041 /nfs/dbraw/zinc/01/10/41/863011041.db2.gz IZYCJQXBWUPFAV-OAHLLOKOSA-N 1 0 392.215 3.893 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)CCOCC2)c1 ZINC000594980308 858355816 /nfs/dbraw/zinc/35/58/16/858355816.db2.gz OYODCFQMIMHOOQ-QFIPXVFZSA-N 1 0 378.472 3.521 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)CCOCC2)c1 ZINC000594985099 858357506 /nfs/dbraw/zinc/35/75/06/858357506.db2.gz WFNCDHPZNPXSHV-UHFFFAOYSA-N 1 0 390.462 3.738 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1ccc(C#N)cc1 ZINC000595057865 858366394 /nfs/dbraw/zinc/36/63/94/858366394.db2.gz YDLMMZSSSKRDER-CQSZACIVSA-N 1 0 386.293 3.870 20 30 GHEDRO N#CCCC[C@@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000595245169 858450606 /nfs/dbraw/zinc/45/06/06/858450606.db2.gz GWFVMLWAQKPAPM-RTWAWAEBSA-N 1 0 378.476 3.904 20 30 GHEDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115369339 858508626 /nfs/dbraw/zinc/50/86/26/858508626.db2.gz GVQRYCGLMHLQDB-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000115440149 858530803 /nfs/dbraw/zinc/53/08/03/858530803.db2.gz YLYBPEPQKQTCQI-GOSISDBHSA-N 1 0 377.488 3.551 20 30 GHEDRO C=CCCSCCNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000595452927 858536112 /nfs/dbraw/zinc/53/61/12/858536112.db2.gz NJBFFDVXXUUQKX-UHFFFAOYSA-N 1 0 383.508 3.538 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000046873133 858571404 /nfs/dbraw/zinc/57/14/04/858571404.db2.gz BVKSKNHTSBPSFK-UHFFFAOYSA-N 1 0 379.529 3.704 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000522081111 858603897 /nfs/dbraw/zinc/60/38/97/858603897.db2.gz SQXVRIJRVIJPMN-UHFFFAOYSA-N 1 0 390.462 3.674 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)NCc3ccccc3Cl)CCOCC2)c1 ZINC000595771617 858665619 /nfs/dbraw/zinc/66/56/19/858665619.db2.gz AAXCLZMUNSOVEG-UHFFFAOYSA-N 1 0 397.906 3.513 20 30 GHEDRO CCC[C@@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000595773470 858666575 /nfs/dbraw/zinc/66/65/75/858666575.db2.gz MVVQQNOORZCGEG-JOCHJYFZSA-N 1 0 391.515 3.811 20 30 GHEDRO COc1cc(C[N@H+](C)CC2=CCCOC2)ccc1OCc1cccc(C#N)c1 ZINC000595746764 858673088 /nfs/dbraw/zinc/67/30/88/858673088.db2.gz CUUUOGGKBTVWMO-UHFFFAOYSA-N 1 0 378.472 3.924 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595785762 858687256 /nfs/dbraw/zinc/68/72/56/858687256.db2.gz GKWMJDAOBTWWIN-RIMHVDHWSA-N 1 0 375.557 3.587 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595789398 858688759 /nfs/dbraw/zinc/68/87/59/858688759.db2.gz MTMQESLSSUFTSF-IDHHARJASA-N 1 0 375.900 3.820 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595789739 858688995 /nfs/dbraw/zinc/68/89/95/858688995.db2.gz NNCVBWRTOSZQGV-RBBKRZOGSA-N 1 0 383.536 3.831 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595789659 858689574 /nfs/dbraw/zinc/68/95/74/858689574.db2.gz RTIKISQHWCFOTJ-UWJYYQICSA-N 1 0 387.499 3.742 20 30 GHEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000595881885 858705792 /nfs/dbraw/zinc/70/57/92/858705792.db2.gz WYJCMJAKRADKBT-UHFFFAOYSA-N 1 0 396.457 3.754 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000183625492 858783396 /nfs/dbraw/zinc/78/33/96/858783396.db2.gz DMNZJRGLFOTHMU-UZLBHIALSA-N 1 0 379.460 3.825 20 30 GHEDRO Cn1ncc(C#N)c1NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000596130734 858787056 /nfs/dbraw/zinc/78/70/56/858787056.db2.gz FEJPVGZQAJBAPZ-RHSMWYFYSA-N 1 0 377.414 3.806 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000181956052 863063455 /nfs/dbraw/zinc/06/34/55/863063455.db2.gz VRUSKRWFRPERJJ-ZBFHGGJFSA-N 1 0 377.431 3.792 20 30 GHEDRO CCOCc1cccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593152707 858799946 /nfs/dbraw/zinc/79/99/46/858799946.db2.gz XIDPMNLFWUWLFH-UHFFFAOYSA-N 1 0 392.503 3.881 20 30 GHEDRO Cc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc(C#N)c1[N+](=O)[O-] ZINC000596224968 858821370 /nfs/dbraw/zinc/82/13/70/858821370.db2.gz FONATLSMXAZPOB-UHFFFAOYSA-N 1 0 380.448 3.860 20 30 GHEDRO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000116167801 858874458 /nfs/dbraw/zinc/87/44/58/858874458.db2.gz NOLKDHRLPABROC-SFHVURJKSA-N 1 0 379.479 3.925 20 30 GHEDRO N#Cc1ccc(SCC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000482851491 858907678 /nfs/dbraw/zinc/90/76/78/858907678.db2.gz RCBOWGXKCBFVBL-UHFFFAOYSA-N 1 0 389.590 3.518 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184351159 858918676 /nfs/dbraw/zinc/91/86/76/858918676.db2.gz OJUYSBOGZYHRPO-KGLIPLIRSA-N 1 0 388.512 3.916 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000596574869 858942101 /nfs/dbraw/zinc/94/21/01/858942101.db2.gz NPSORNIVGDBLPM-YOEHRIQHSA-N 1 0 382.430 3.643 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160566367 859013683 /nfs/dbraw/zinc/01/36/83/859013683.db2.gz KADGQKWSRAJJFO-NRFANRHFSA-N 1 0 380.492 3.930 20 30 GHEDRO C=CCNC(=O)c1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC001170331082 881371402 /nfs/dbraw/zinc/37/14/02/881371402.db2.gz KVGPKLLIHKHTIN-MZADTFQBSA-N 1 0 376.504 3.605 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC000596777884 859068400 /nfs/dbraw/zinc/06/84/00/859068400.db2.gz SJRYGLRSXIDKBK-UHFFFAOYSA-N 1 0 380.414 3.821 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000483018697 859069191 /nfs/dbraw/zinc/06/91/91/859069191.db2.gz QOJZSBBCYMEWDP-QHCPKHFHSA-N 1 0 394.519 3.795 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185384267 859078150 /nfs/dbraw/zinc/07/81/50/859078150.db2.gz SKXWVIKZSNYCTN-VXKWHMMOSA-N 1 0 390.593 3.710 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000596828181 859110984 /nfs/dbraw/zinc/11/09/84/859110984.db2.gz JRSXXHJWTUUEMV-QHCPKHFHSA-N 1 0 391.515 3.738 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185701872 859117749 /nfs/dbraw/zinc/11/77/49/859117749.db2.gz JFSJGMDUMNTBME-LEWJYISDSA-N 1 0 396.579 3.793 20 30 GHEDRO [NH2+]=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000187134100 859194965 /nfs/dbraw/zinc/19/49/65/859194965.db2.gz GXYOBOKAYKVNCQ-QMTHXVAHSA-N 1 0 399.335 3.795 20 30 GHEDRO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1CCCCO1 ZINC000470211364 859249241 /nfs/dbraw/zinc/24/92/41/859249241.db2.gz ZHHVJXZZNWHDAH-LJQANCHMSA-N 1 0 377.916 3.868 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000161662554 859263153 /nfs/dbraw/zinc/26/31/53/859263153.db2.gz IOOZJRBIBXXBQR-INIZCTEOSA-N 1 0 380.492 3.599 20 30 GHEDRO C[N@@H+]1C[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC000625982089 859283147 /nfs/dbraw/zinc/28/31/47/859283147.db2.gz OGUYZHXFOAFTMV-UXHICEINSA-N 1 0 386.417 3.519 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O)C(C)C ZINC000160864034 859291282 /nfs/dbraw/zinc/29/12/82/859291282.db2.gz FZLRDDNCDUHICS-JOCHJYFZSA-N 1 0 398.551 3.806 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000069078868 859332083 /nfs/dbraw/zinc/33/20/83/859332083.db2.gz PQOMQUXVPZNMNZ-UHFFFAOYSA-N 1 0 377.492 3.727 20 30 GHEDRO C[C@@H](Cc1cccs1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593307423 859369840 /nfs/dbraw/zinc/36/98/40/859369840.db2.gz PIPVONUQGFRUST-INIZCTEOSA-N 1 0 382.533 3.515 20 30 GHEDRO CC[N@H+](CCc1ccccn1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000764314769 859376335 /nfs/dbraw/zinc/37/63/35/859376335.db2.gz KAPHUDNRVACIOK-FQEVSTJZSA-N 1 0 378.520 3.898 20 30 GHEDRO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000483476772 859400539 /nfs/dbraw/zinc/40/05/39/859400539.db2.gz SMTJVCYIUCNKKR-GOSISDBHSA-N 1 0 377.916 3.502 20 30 GHEDRO CCOC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000113935353 859408770 /nfs/dbraw/zinc/40/87/70/859408770.db2.gz BJXLXEWOZSRTIW-KRWDZBQOSA-N 1 0 377.916 3.644 20 30 GHEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000509433845 859435562 /nfs/dbraw/zinc/43/55/62/859435562.db2.gz YVSLJYAPIBQOOE-FQEVSTJZSA-N 1 0 376.435 3.884 20 30 GHEDRO CCCCCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764439538 859450175 /nfs/dbraw/zinc/45/01/75/859450175.db2.gz XDLTUCUKZADECG-NHCUHLMSSA-N 1 0 380.621 3.795 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000129642244 859463634 /nfs/dbraw/zinc/46/36/34/859463634.db2.gz PRPHOAMCSYVYAT-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000483638551 859502949 /nfs/dbraw/zinc/50/29/49/859502949.db2.gz SFUHXTZDNNYJBD-UHFFFAOYSA-N 1 0 376.504 3.820 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC000597394218 859519761 /nfs/dbraw/zinc/51/97/61/859519761.db2.gz NELLOQGWIXMJKZ-VGSWGCGISA-N 1 0 395.453 3.963 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC001170365089 881430688 /nfs/dbraw/zinc/43/06/88/881430688.db2.gz OQTKQDHVOUBNJP-RZMWZJFBSA-N 1 0 375.516 3.886 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CCC(C[NH+]4CCCC4)CC3)n2CC2CC2)c1 ZINC000597428359 859531430 /nfs/dbraw/zinc/53/14/30/859531430.db2.gz QDFUVGYHFMDIHK-UHFFFAOYSA-N 1 0 390.535 3.539 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCc4sccc43)CC2)c1 ZINC000593352910 859537231 /nfs/dbraw/zinc/53/72/31/859537231.db2.gz HIGLCWMXRZJBDT-FQEVSTJZSA-N 1 0 379.529 3.820 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3csc(-c4ccoc4)n3)CC2)c1 ZINC000593353307 859547075 /nfs/dbraw/zinc/54/70/75/859547075.db2.gz JPKAZQSTRQIWPV-UHFFFAOYSA-N 1 0 392.484 3.669 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c(F)c1 ZINC000611029100 859580331 /nfs/dbraw/zinc/58/03/31/859580331.db2.gz BGYBOVKFKCIHKH-QZTJIDSGSA-N 1 0 391.446 3.784 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000611038232 859585160 /nfs/dbraw/zinc/58/51/60/859585160.db2.gz LZPBFZDFIVJMBB-FQEVSTJZSA-N 1 0 399.535 3.605 20 30 GHEDRO CC(=[NH+]NCc1cnc2ccccc2c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764777406 859607339 /nfs/dbraw/zinc/60/73/39/859607339.db2.gz BCIPQNQXEUHOSC-UHFFFAOYSA-N 1 0 378.451 3.724 20 30 GHEDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000597603949 859663270 /nfs/dbraw/zinc/66/32/70/859663270.db2.gz GKMCPHWUKCLVPD-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000602004573 859702618 /nfs/dbraw/zinc/70/26/18/859702618.db2.gz VUCICXURUHMIJZ-HXUWFJFHSA-N 1 0 379.479 3.972 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000597641644 859703385 /nfs/dbraw/zinc/70/33/85/859703385.db2.gz HHKYCOUAJMQDBP-AWEZNQCLSA-N 1 0 377.822 3.565 20 30 GHEDRO CC[C@H](CC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593390355 859720080 /nfs/dbraw/zinc/72/00/80/859720080.db2.gz IFPBMZKDDNOZOC-MRXNPFEDSA-N 1 0 382.430 3.553 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@@H]([NH+]3CCCCC3)C2)nc1-c1cccs1 ZINC000764990276 859720479 /nfs/dbraw/zinc/72/04/79/859720479.db2.gz PDEHWHKNDVDLQO-MRXNPFEDSA-N 1 0 389.594 3.846 20 30 GHEDRO C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@H]([NH+](C)C)C2)c1=S ZINC000765013356 859727346 /nfs/dbraw/zinc/72/73/46/859727346.db2.gz OEPCJOUBHJPVSN-KRWDZBQOSA-N 1 0 391.972 3.904 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000611411180 859745930 /nfs/dbraw/zinc/74/59/30/859745930.db2.gz VOJJMORNFLLUSF-HXUWFJFHSA-N 1 0 381.907 3.832 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000611411177 859745972 /nfs/dbraw/zinc/74/59/72/859745972.db2.gz VOJJMORNFLLUSF-FQEVSTJZSA-N 1 0 381.907 3.832 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(COc3ccccc3C#N)c1)C2 ZINC000597715534 859760201 /nfs/dbraw/zinc/76/02/01/859760201.db2.gz LQKDDAHGPUQJJY-XMMPIXPASA-N 1 0 389.499 3.695 20 30 GHEDRO C[N@H+](CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000484024210 859770973 /nfs/dbraw/zinc/77/09/73/859770973.db2.gz ILNMAZJTMNLXQH-YADHBBJMSA-N 1 0 394.494 3.739 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000611468444 859772384 /nfs/dbraw/zinc/77/23/84/859772384.db2.gz RXHXTENRVLIGJY-QHCPKHFHSA-N 1 0 388.515 3.745 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593408026 859777490 /nfs/dbraw/zinc/77/74/90/859777490.db2.gz QDQJXZXRYROAHW-HNNXBMFYSA-N 1 0 392.341 3.634 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC4(CC3)OCc3ccccc34)C2=O)cc1 ZINC000611516324 859797209 /nfs/dbraw/zinc/79/72/09/859797209.db2.gz AKNXBUSSRBZRGW-QFIPXVFZSA-N 1 0 387.483 3.575 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000765247101 859864425 /nfs/dbraw/zinc/86/44/25/859864425.db2.gz PLROAFZAIYEQKD-UZLBHIALSA-N 1 0 388.471 3.501 20 30 GHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000765283207 859888942 /nfs/dbraw/zinc/88/89/42/859888942.db2.gz XVIYDMAVLWHBQR-ROUUACIJSA-N 1 0 383.515 3.633 20 30 GHEDRO COC(=O)CCC[NH+]1CCC(=NNC(=S)Nc2ccccc2C(C)C)CC1 ZINC000727062649 859912906 /nfs/dbraw/zinc/91/29/06/859912906.db2.gz XPUHZWQXXWLQOX-UHFFFAOYSA-N 1 0 390.553 3.501 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000091869580 859950291 /nfs/dbraw/zinc/95/02/91/859950291.db2.gz HZBSEXNDOUPWRI-UHFFFAOYSA-N 1 0 381.451 3.707 20 30 GHEDRO CNC(=O)c1cccc(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000123571764 860001627 /nfs/dbraw/zinc/00/16/27/860001627.db2.gz NGFNUGUUAKSFPC-UHFFFAOYSA-N 1 0 399.494 3.829 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508919117 860012371 /nfs/dbraw/zinc/01/23/71/860012371.db2.gz PMPSKPBXODHDMU-NQIIRXRSSA-N 1 0 395.526 3.647 20 30 GHEDRO C=C(C)C[NH+]1CCC(N2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000761256359 860043138 /nfs/dbraw/zinc/04/31/38/860043138.db2.gz NHXMCGXLOIGYLD-IBGZPJMESA-N 1 0 396.318 3.801 20 30 GHEDRO Cc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593510274 860049979 /nfs/dbraw/zinc/04/99/79/860049979.db2.gz LEKZMJRRNVOOTH-UHFFFAOYSA-N 1 0 376.504 3.673 20 30 GHEDRO CCCN(C[C@@H]1CCCCO1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511145 860070266 /nfs/dbraw/zinc/07/02/66/860070266.db2.gz IHOWNBYNZGXMNU-QFIPXVFZSA-N 1 0 398.551 3.513 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000727434872 860076333 /nfs/dbraw/zinc/07/63/33/860076333.db2.gz SWAZRAQJBSSQPN-UHFFFAOYSA-N 1 0 387.487 3.992 20 30 GHEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513173 860083183 /nfs/dbraw/zinc/08/31/83/860083183.db2.gz YFXBOSVKPHCZEF-PIPMEXSNSA-N 1 0 380.536 3.885 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000727473468 860095522 /nfs/dbraw/zinc/09/55/22/860095522.db2.gz AWGDMZWNDKFGCM-UHFFFAOYSA-N 1 0 389.503 3.507 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000602523685 860096481 /nfs/dbraw/zinc/09/64/81/860096481.db2.gz GBJUOGGIOUHQQP-QGZVFWFLSA-N 1 0 378.314 3.599 20 30 GHEDRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C#N)cn1 ZINC000598148822 860099458 /nfs/dbraw/zinc/09/94/58/860099458.db2.gz RNMIYMAIDSDBCR-UHFFFAOYSA-N 1 0 384.911 3.981 20 30 GHEDRO N#CC1CCC([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000602531485 860100344 /nfs/dbraw/zinc/10/03/44/860100344.db2.gz UOQDFUWKOPJNLK-PPSBMQLTSA-N 1 0 381.442 3.751 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC000727471301 860107411 /nfs/dbraw/zinc/10/74/11/860107411.db2.gz VOVSYFKBFCEKBA-UHFFFAOYSA-N 1 0 383.249 3.654 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000602549905 860125279 /nfs/dbraw/zinc/12/52/79/860125279.db2.gz FLEQCRSRJYETIR-JKSUJKDBSA-N 1 0 397.441 3.852 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000602551169 860126351 /nfs/dbraw/zinc/12/63/51/860126351.db2.gz MYFCKUAFEJMOCF-GFCCVEGCSA-N 1 0 391.821 3.821 20 30 GHEDRO C#CCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000765543089 860126995 /nfs/dbraw/zinc/12/69/95/860126995.db2.gz ZCHIOANRKZJOOY-ISKFKSNPSA-N 1 0 388.511 3.825 20 30 GHEDRO N#CC1CCC([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000602584536 860147040 /nfs/dbraw/zinc/14/70/40/860147040.db2.gz FIUCKYRKAJJDIM-UYJHFMRCSA-N 1 0 379.426 3.868 20 30 GHEDRO COc1cc2c(c(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)c1)O[C@H](C)C2 ZINC000092854285 860147546 /nfs/dbraw/zinc/14/75/46/860147546.db2.gz JAKVHDPHGKUGCU-APMMTJHUSA-N 1 0 393.487 3.765 20 30 GHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508956744 860246310 /nfs/dbraw/zinc/24/63/10/860246310.db2.gz SVXWBCLLVYJIIF-OAQYLSRUSA-N 1 0 393.535 3.595 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc([C@H]4CCCO4)s3)C2)c(F)c1 ZINC000328855306 860246882 /nfs/dbraw/zinc/24/68/82/860246882.db2.gz JWNZPWOBQZYGQS-HNAYVOBHSA-N 1 0 386.496 3.764 20 30 GHEDRO N#CCC1(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000602789447 860270531 /nfs/dbraw/zinc/27/05/31/860270531.db2.gz YYOVAEMUFGSZCR-UHFFFAOYSA-N 1 0 376.298 3.793 20 30 GHEDRO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H](C)N1CC#N ZINC000602861878 860319025 /nfs/dbraw/zinc/31/90/25/860319025.db2.gz MIVVSTHYWPEAKQ-OALUTQOASA-N 1 0 376.504 3.600 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCC[N@H+](CC4CC4)C3)cc2)nc1 ZINC000598562576 860398463 /nfs/dbraw/zinc/39/84/63/860398463.db2.gz WUFXQUOGARQKNU-IBGZPJMESA-N 1 0 390.487 3.597 20 30 GHEDRO CC(C)CC1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCS(=O)(=O)CC1 ZINC001170374364 881535357 /nfs/dbraw/zinc/53/53/57/881535357.db2.gz ZAJXOLVHLOKWFF-UHFFFAOYSA-N 1 0 388.577 3.974 20 30 GHEDRO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CC[C@H](C)C1 ZINC000484895919 860454402 /nfs/dbraw/zinc/45/44/02/860454402.db2.gz QQVBUOJFDKNCOI-WMZOPIPTSA-N 1 0 377.916 3.724 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c(-c2ccc(C#N)cc2)n1 ZINC000922694110 860467791 /nfs/dbraw/zinc/46/77/91/860467791.db2.gz BTMGUQGPMZATJX-IRXDYDNUSA-N 1 0 378.398 3.548 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 ZINC000729977122 860481099 /nfs/dbraw/zinc/48/10/99/860481099.db2.gz JMZUAIGUYVPYAT-HSZRJFAPSA-N 1 0 388.515 3.761 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3cc(C#N)c4ccccc4n3)CC2)C[C@H](C)O1 ZINC000330243426 860489351 /nfs/dbraw/zinc/48/93/51/860489351.db2.gz WUUTYAYFEHXJKA-HDICACEKSA-N 1 0 378.520 3.822 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)s1)C(=S)NCC(F)(F)F ZINC000170637246 860492316 /nfs/dbraw/zinc/49/23/16/860492316.db2.gz WFSBQXUNOHPSJJ-UHFFFAOYSA-O 1 0 387.472 3.997 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000552340160 860511468 /nfs/dbraw/zinc/51/14/68/860511468.db2.gz MAOFEDJGCZUHQB-DOTOQJQBSA-N 1 0 377.414 3.875 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000484942584 860513720 /nfs/dbraw/zinc/51/37/20/860513720.db2.gz ZXEMREHPDRZODC-JOCHJYFZSA-N 1 0 397.519 3.865 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(Nc3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000896197776 860521531 /nfs/dbraw/zinc/52/15/31/860521531.db2.gz HGRRHBBHKQFCRT-UHFFFAOYSA-N 1 0 386.503 3.935 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000598719360 860527232 /nfs/dbraw/zinc/52/72/32/860527232.db2.gz GQXRCBHSXWFQMT-JOCHJYFZSA-N 1 0 388.515 3.989 20 30 GHEDRO COc1cc(OC)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1F ZINC000593609701 860551040 /nfs/dbraw/zinc/55/10/40/860551040.db2.gz UGWHMUVOXAXQFH-UHFFFAOYSA-N 1 0 385.439 3.589 20 30 GHEDRO CCOC(=O)c1cc2n(n1)CCC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170379368 881553830 /nfs/dbraw/zinc/55/38/30/881553830.db2.gz VUSVXYALOQMMOE-UHFFFAOYSA-N 1 0 392.503 3.670 20 30 GHEDRO C[C@@H](CC[NH+](C)C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000522464363 860609532 /nfs/dbraw/zinc/60/95/32/860609532.db2.gz KDWZAOFLBAMIJU-KRWDZBQOSA-N 1 0 382.483 3.749 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000922802223 860622254 /nfs/dbraw/zinc/62/22/54/860622254.db2.gz JCAHMFVZNFVITN-UHFFFAOYSA-N 1 0 389.297 3.607 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3CCC4(CCOCC4)O3)c2)c1 ZINC000922811804 860626156 /nfs/dbraw/zinc/62/61/56/860626156.db2.gz NMFGUJIJTWESIH-QHCPKHFHSA-N 1 0 392.499 3.955 20 30 GHEDRO CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000125349588 860643644 /nfs/dbraw/zinc/64/36/44/860643644.db2.gz CULVUNNOGBILJN-UHFFFAOYSA-N 1 0 384.455 3.692 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000125387078 860653583 /nfs/dbraw/zinc/65/35/83/860653583.db2.gz NSYDZFIJQPQQQX-OAQYLSRUSA-N 1 0 396.491 3.829 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000125407907 860659205 /nfs/dbraw/zinc/65/92/05/860659205.db2.gz ZFKWZEMWUUEDFU-AULURCSPSA-N 1 0 390.531 3.753 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc(C(F)(F)F)c1 ZINC000598962595 860690913 /nfs/dbraw/zinc/69/09/13/860690913.db2.gz UQGVHMMBZBJREA-UHFFFAOYSA-N 1 0 390.409 3.739 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCc3c(CC#N)cccc3C2)c1 ZINC000598961259 860690999 /nfs/dbraw/zinc/69/09/99/860690999.db2.gz JXGBPQZQHDRLRG-UHFFFAOYSA-N 1 0 390.531 3.862 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000170791009 860702660 /nfs/dbraw/zinc/70/26/60/860702660.db2.gz QPHGXIUNSIZTBO-LJQANCHMSA-N 1 0 377.410 3.576 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3csc(C(F)(F)F)c3)C2=O)cc1 ZINC000598972285 860707226 /nfs/dbraw/zinc/70/72/26/860707226.db2.gz OVPPYMHJYLVPSK-OAHLLOKOSA-N 1 0 379.407 3.924 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000429021907 860718784 /nfs/dbraw/zinc/71/87/84/860718784.db2.gz SCDXPQXGXDLRDZ-OQLXKQOESA-N 1 0 396.579 3.601 20 30 GHEDRO COc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCc1cccc(C#N)c1 ZINC000429025416 860728005 /nfs/dbraw/zinc/72/80/05/860728005.db2.gz YOQXAAKPXQGWAN-XMMPIXPASA-N 1 0 391.515 3.673 20 30 GHEDRO CCOc1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)ccc1OC ZINC000593687120 860849967 /nfs/dbraw/zinc/84/99/67/860849967.db2.gz CIWWILANLWZEIV-UHFFFAOYSA-N 1 0 379.504 3.720 20 30 GHEDRO [NH2+]=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)Nc1ccccn1 ZINC000170913165 860977267 /nfs/dbraw/zinc/97/72/67/860977267.db2.gz MUKRSKZHRHDRIT-UHFFFAOYSA-N 1 0 382.471 3.920 20 30 GHEDRO COc1ccccc1NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1 ZINC000185571456 860992257 /nfs/dbraw/zinc/99/22/57/860992257.db2.gz GGZQTRAAXIBXLY-UHFFFAOYSA-O 1 0 388.472 3.905 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)C(=O)N2CCCC[C@H]2C)cc1OC ZINC000623395256 860993332 /nfs/dbraw/zinc/99/33/32/860993332.db2.gz DNOPJNSMROKXQW-CABCVRRESA-N 1 0 380.916 3.793 20 30 GHEDRO C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000329101741 861019147 /nfs/dbraw/zinc/01/91/47/861019147.db2.gz ZVEJYPPNSNHNAB-SJBKTWHCSA-N 1 0 377.573 3.713 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599271395 861020853 /nfs/dbraw/zinc/02/08/53/861020853.db2.gz XNKWAQNECBAWEQ-SFHVURJKSA-N 1 0 395.341 3.731 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000329118108 861035361 /nfs/dbraw/zinc/03/53/61/861035361.db2.gz OGSPGIPIMYLWJJ-LKBUQDJMSA-N 1 0 384.480 3.577 20 30 GHEDRO CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000599304582 861047921 /nfs/dbraw/zinc/04/79/21/861047921.db2.gz YIPXUYUYJWTOAD-RTWAWAEBSA-N 1 0 376.516 3.786 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)CCOCC1 ZINC000599316361 861056065 /nfs/dbraw/zinc/05/60/65/861056065.db2.gz GQLMAWOTQNMVFX-IBGZPJMESA-N 1 0 378.463 3.781 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000599350141 861089741 /nfs/dbraw/zinc/08/97/41/861089741.db2.gz UNIOCXFJFUFOQI-QRWLVFNGSA-N 1 0 381.451 3.783 20 30 GHEDRO COc1ccccc1O[C@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000329174655 861103224 /nfs/dbraw/zinc/10/32/24/861103224.db2.gz BCKAESZOTNOZNG-KRWDZBQOSA-N 1 0 389.540 3.762 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCc2cn3c(n2)SCC3)cc1OC ZINC000623494359 861118284 /nfs/dbraw/zinc/11/82/84/861118284.db2.gz NUORIFGJBUTNLN-UHFFFAOYSA-N 1 0 379.913 3.548 20 30 GHEDRO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000329193899 861123824 /nfs/dbraw/zinc/12/38/24/861123824.db2.gz UILIIJZJAJWPOS-NJDAHSKKSA-N 1 0 383.536 3.881 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000899561499 861132338 /nfs/dbraw/zinc/13/23/38/861132338.db2.gz GXVSDDCZOWKDLD-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CC(=O)NC)c2ccccc2)cc1OC ZINC000623512653 861133964 /nfs/dbraw/zinc/13/39/64/861133964.db2.gz PNNBZLBTEBCUKH-GOSISDBHSA-N 1 0 388.895 3.880 20 30 GHEDRO CC1CCC(NC(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000329201483 861137300 /nfs/dbraw/zinc/13/73/00/861137300.db2.gz BWTMKHMCLOHGRN-UHFFFAOYSA-N 1 0 383.334 3.818 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000599386722 861151342 /nfs/dbraw/zinc/15/13/42/861151342.db2.gz WOEBUNRNDGTCOW-UGKGYDQZSA-N 1 0 394.515 3.988 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)CC1 ZINC000730550118 861162957 /nfs/dbraw/zinc/16/29/57/861162957.db2.gz WJTDZUGTNQNQMN-UHFFFAOYSA-N 1 0 391.487 3.943 20 30 GHEDRO COc1ccc(C(C)=NNc2cn[nH]c(=O)c2Cl)cc1C[NH+]1CCCCC1 ZINC000730568466 861174785 /nfs/dbraw/zinc/17/47/85/861174785.db2.gz ZAARBFONLPLNEB-UHFFFAOYSA-N 1 0 389.887 3.666 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171141514 863078987 /nfs/dbraw/zinc/07/89/87/863078987.db2.gz LORXAILCUNLWCQ-UHFFFAOYSA-N 1 0 394.523 3.819 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000444022365 863144709 /nfs/dbraw/zinc/14/47/09/863144709.db2.gz QICRGBSKBLKNHG-NQIIRXRSSA-N 1 0 398.551 3.837 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c[nH]c4cc(F)ccc34)CC2)c1 ZINC000593886971 863173660 /nfs/dbraw/zinc/17/36/60/863173660.db2.gz WERWYVRZYWSDDG-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1)c1ccccc1 ZINC000281606518 863282357 /nfs/dbraw/zinc/28/23/57/863282357.db2.gz GIKDPPLLNSEURW-QFIPXVFZSA-N 1 0 391.515 3.841 20 30 GHEDRO CC(C)(CNC(=O)CSc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000482548174 863293299 /nfs/dbraw/zinc/29/32/99/863293299.db2.gz IDPCFYBERHEMPZ-UHFFFAOYSA-N 1 0 379.529 3.603 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccc(Cl)cc1 ZINC000444078516 863318169 /nfs/dbraw/zinc/31/81/69/863318169.db2.gz DJZIGRTWFQOHNH-UHFFFAOYSA-N 1 0 398.894 3.891 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000281685225 863325734 /nfs/dbraw/zinc/32/57/34/863325734.db2.gz BBAMZVXLGKJVDO-FCHUYYIVSA-N 1 0 385.552 3.521 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(NCc3cccc(OCCCC#N)c3)cn2)CC1 ZINC000160158264 863381737 /nfs/dbraw/zinc/38/17/37/863381737.db2.gz ARYHWMDEONQBAH-UHFFFAOYSA-N 1 0 380.492 3.849 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000062484566 863426159 /nfs/dbraw/zinc/42/61/59/863426159.db2.gz UFGRZETYILFOGN-UHFFFAOYSA-N 1 0 393.506 3.944 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1Cl ZINC000444185079 863622592 /nfs/dbraw/zinc/62/25/92/863622592.db2.gz PXHUSXMVIBHITE-SFHVURJKSA-N 1 0 375.900 3.964 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000594043932 863888200 /nfs/dbraw/zinc/88/82/00/863888200.db2.gz MYSOEZCXEAFOKM-PMACEKPBSA-N 1 0 375.516 3.717 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000734106192 863996737 /nfs/dbraw/zinc/99/67/37/863996737.db2.gz QQDUFTSHTDQXCU-OAQYLSRUSA-N 1 0 394.515 3.827 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000071939100 864189505 /nfs/dbraw/zinc/18/95/05/864189505.db2.gz JJHXFTULHABBQB-UHFFFAOYSA-N 1 0 397.475 3.750 20 30 GHEDRO COc1ccc(C(=[NH2+])NOC=C(O)c2cc(C)n(Cc3ccccc3)c2C)cc1 ZINC000071965274 864249912 /nfs/dbraw/zinc/24/99/12/864249912.db2.gz MZUFDKJUSLOMFF-UHFFFAOYSA-N 1 0 391.471 3.682 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000920135991 881746065 /nfs/dbraw/zinc/74/60/65/881746065.db2.gz RONPGHBHNBHWQR-SFHVURJKSA-N 1 0 378.472 3.781 20 30 GHEDRO [NH2+]=C(NCC1(c2cccc(Cl)c2)CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000262431207 864289523 /nfs/dbraw/zinc/28/95/23/864289523.db2.gz BQWRXVHRZAXYCK-IBGZPJMESA-N 1 0 399.922 3.816 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccncc1 ZINC000734653170 864369566 /nfs/dbraw/zinc/36/95/66/864369566.db2.gz BPGVHTVRMCISFV-FCHUYYIVSA-N 1 0 394.519 3.844 20 30 GHEDRO [NH2+]=C(NC[C@H](c1ccccc1)C(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000262467985 864672773 /nfs/dbraw/zinc/67/27/73/864672773.db2.gz YSPXHCZBTVHQET-OAHLLOKOSA-N 1 0 379.382 3.921 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000475263224 864675385 /nfs/dbraw/zinc/67/53/85/864675385.db2.gz BDIVXSSNNZRBEY-GOSISDBHSA-N 1 0 383.536 3.610 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000063401898 864696946 /nfs/dbraw/zinc/69/69/46/864696946.db2.gz VDNVVNFSBBXOJT-UHFFFAOYSA-N 1 0 388.512 3.947 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000475298469 864730290 /nfs/dbraw/zinc/73/02/90/864730290.db2.gz AILXPYNELIQNGM-UHFFFAOYSA-N 1 0 385.552 3.715 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735309439 864736144 /nfs/dbraw/zinc/73/61/44/864736144.db2.gz NWOBSISLPHSGFB-UHFFFAOYSA-N 1 0 385.895 3.966 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC000154677005 864778751 /nfs/dbraw/zinc/77/87/51/864778751.db2.gz PRZZDXDYFZSHDT-GMAHTHKFSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@H](C[N@@H+](C)CC)C2)c1=S ZINC000173491734 864817280 /nfs/dbraw/zinc/81/72/80/864817280.db2.gz QMZDTAWWOWAKMO-INIZCTEOSA-N 1 0 389.544 3.637 20 30 GHEDRO C=CCc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1O ZINC000475343713 864819889 /nfs/dbraw/zinc/81/98/89/864819889.db2.gz RTBMHRJNUHCZFE-SZPZYZBQSA-N 1 0 378.516 3.693 20 30 GHEDRO C#CCN(CC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000735586842 864864573 /nfs/dbraw/zinc/86/45/73/864864573.db2.gz PSVGCZSBIMDYSC-WMZOPIPTSA-N 1 0 381.442 3.753 20 30 GHEDRO COC(=O)[C@H](C)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000184771734 864927017 /nfs/dbraw/zinc/92/70/17/864927017.db2.gz ZGUVOLRKODTTGQ-GOSISDBHSA-N 1 0 391.515 3.986 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000475405307 864958101 /nfs/dbraw/zinc/95/81/01/864958101.db2.gz UNANHYOMUAIKAX-UHFFFAOYSA-N 1 0 397.563 3.954 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC000897261075 865002829 /nfs/dbraw/zinc/00/28/29/865002829.db2.gz VYWUKQCRZXVKDN-QFIPXVFZSA-N 1 0 392.499 3.643 20 30 GHEDRO CC(C)[C@H](NC(=O)C[NH+]1CCC(CCC#N)CC1)c1ccc2c(c1)OCCCO2 ZINC000567467724 865053190 /nfs/dbraw/zinc/05/31/90/865053190.db2.gz LIGJJWZSUWSXRM-QHCPKHFHSA-N 1 0 399.535 3.677 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000735938005 865061443 /nfs/dbraw/zinc/06/14/43/865061443.db2.gz RJUPKXYKSMJHCR-SFHVURJKSA-N 1 0 390.483 3.569 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000480684318 865113352 /nfs/dbraw/zinc/11/33/52/865113352.db2.gz UHHYVYCFQIQLDP-PXNSSMCTSA-N 1 0 377.488 3.667 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000173815084 865115756 /nfs/dbraw/zinc/11/57/56/865115756.db2.gz ZDVLYJAVOWEBOZ-FQEVSTJZSA-N 1 0 378.520 3.770 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000173859366 865124268 /nfs/dbraw/zinc/12/42/68/865124268.db2.gz AJIUBPRTEXNZRW-SJORKVTESA-N 1 0 379.460 3.710 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000455954475 865226920 /nfs/dbraw/zinc/22/69/20/865226920.db2.gz MHQYLDYXQQGZQV-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799669 865406911 /nfs/dbraw/zinc/40/69/11/865406911.db2.gz FNVSXDOVLXDUPU-UHFFFAOYSA-N 1 0 375.516 3.914 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192047303 865447916 /nfs/dbraw/zinc/44/79/16/865447916.db2.gz JVSAOVQCZCXRRJ-DOTOQJQBSA-N 1 0 375.881 3.722 20 30 GHEDRO N#Cc1ccc(-c2ccn(CN3CCC[N@H+](CC4CCCCC4)CC3)n2)cc1 ZINC000738038875 865475521 /nfs/dbraw/zinc/47/55/21/865475521.db2.gz VJCHSZCIYQFFLI-UHFFFAOYSA-N 1 0 377.536 3.967 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000738342527 865544284 /nfs/dbraw/zinc/54/42/84/865544284.db2.gz YXBKXICNKXGZEF-APWZRJJASA-N 1 0 398.466 3.722 20 30 GHEDRO C=CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000480968025 865590153 /nfs/dbraw/zinc/59/01/53/865590153.db2.gz ZOKCTEZZIXFCJD-DOTOQJQBSA-N 1 0 390.471 3.584 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)o1 ZINC000608899778 865801762 /nfs/dbraw/zinc/80/17/62/865801762.db2.gz DLXICSXKDRJCMB-UHFFFAOYSA-N 1 0 385.383 3.563 20 30 GHEDRO COC(=O)[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000740194564 865872767 /nfs/dbraw/zinc/87/27/67/865872767.db2.gz QXQZGTXYPPQBGF-OAQYLSRUSA-N 1 0 392.455 3.615 20 30 GHEDRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000174438384 865906710 /nfs/dbraw/zinc/90/67/10/865906710.db2.gz UGQPFINJBFEPQQ-OAQYLSRUSA-N 1 0 392.547 3.669 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740483415 865929850 /nfs/dbraw/zinc/92/98/50/865929850.db2.gz AGFMYGVTZXZTRQ-LJQANCHMSA-N 1 0 382.533 3.768 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)CC1 ZINC000740737891 865976328 /nfs/dbraw/zinc/97/63/28/865976328.db2.gz MJNJWSHQKQGOJW-UHFFFAOYSA-N 1 0 398.938 3.867 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H](CCO)c1cccs1 ZINC000740899990 866088970 /nfs/dbraw/zinc/08/89/70/866088970.db2.gz HOQRXBFQPBHMEN-OAHLLOKOSA-N 1 0 380.307 3.736 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000303387942 866176302 /nfs/dbraw/zinc/17/63/02/866176302.db2.gz BNOLUZNLMQTSKN-UHFFFAOYSA-N 1 0 379.460 3.732 20 30 GHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508492805 866321414 /nfs/dbraw/zinc/32/14/14/866321414.db2.gz KOVAYXJUUSVYBE-UHFFFAOYSA-N 1 0 392.507 3.564 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)o1 ZINC000071040047 866329033 /nfs/dbraw/zinc/32/90/33/866329033.db2.gz ZRNNJSLZUBOMFJ-UHFFFAOYSA-N 1 0 385.383 3.563 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C12CCC2 ZINC001168342461 881968317 /nfs/dbraw/zinc/96/83/17/881968317.db2.gz ZYXWLQSDZKMCMT-FCHUYYIVSA-N 1 0 389.499 3.740 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000741332898 866419116 /nfs/dbraw/zinc/41/91/16/866419116.db2.gz BFJOJINWDBRSBL-KRWDZBQOSA-N 1 0 393.487 3.974 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(=O)Nc2sccc2C#N)cc1 ZINC000741336901 866424686 /nfs/dbraw/zinc/42/46/86/866424686.db2.gz XGZWLHNFXUUAHZ-UHFFFAOYSA-N 1 0 385.489 3.647 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000741336936 866424842 /nfs/dbraw/zinc/42/48/42/866424842.db2.gz YPAMYJNYQOZMOL-UHFFFAOYSA-N 1 0 399.535 3.760 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508497444 866456764 /nfs/dbraw/zinc/45/67/64/866456764.db2.gz LHSRBTICJFEZFY-FQEVSTJZSA-N 1 0 383.540 3.695 20 30 GHEDRO Cc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CCCCC2)[NH+]2CCCC2)cc1 ZINC000475588556 866465134 /nfs/dbraw/zinc/46/51/34/866465134.db2.gz ILGGRKJFNOLZOH-FQEVSTJZSA-N 1 0 389.565 3.525 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000665838160 866519673 /nfs/dbraw/zinc/51/96/73/866519673.db2.gz RZYNAVIRDVEFGS-OAQYLSRUSA-N 1 0 392.503 3.812 20 30 GHEDRO CC[N@@H+]1CCC(N=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000741449488 866524855 /nfs/dbraw/zinc/52/48/55/866524855.db2.gz NEHJLOMHWNQMSH-VIFPVBQESA-N 1 0 389.334 3.651 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)CCCNC(=[NH2+])NC2CCCCCC2)cc1 ZINC000305747408 866637068 /nfs/dbraw/zinc/63/70/68/866637068.db2.gz SBCVWQNCTTURRE-QGZVFWFLSA-N 1 0 388.556 3.670 20 30 GHEDRO C=C(C)[C@@H](CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)OCC ZINC000534395752 866683100 /nfs/dbraw/zinc/68/31/00/866683100.db2.gz WEUYPDVIYQOMNO-HXUWFJFHSA-N 1 0 394.943 3.671 20 30 GHEDRO N#CCSc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1 ZINC000444456693 866687616 /nfs/dbraw/zinc/68/76/16/866687616.db2.gz XDVLIAAOILSUQQ-UHFFFAOYSA-N 1 0 381.501 3.511 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2ccc(C(C)=O)cc2CC1)C(C)C ZINC000534483269 866861466 /nfs/dbraw/zinc/86/14/66/866861466.db2.gz GFUWWQNTSDCWFP-HSZRJFAPSA-N 1 0 397.563 3.698 20 30 GHEDRO C[C@@H]1CCC[C@@](CNC(=O)c2occc2COc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000523289078 867028619 /nfs/dbraw/zinc/02/86/19/867028619.db2.gz XSESLFXYGAFCGW-UZUQRXQVSA-N 1 0 395.503 3.971 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(OCc2ccccc2)c1 ZINC000444716321 867129202 /nfs/dbraw/zinc/12/92/02/867129202.db2.gz JEXOAJNEJINCHJ-UZUQRXQVSA-N 1 0 377.488 3.725 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2=O)cc1OC ZINC000742380909 867249209 /nfs/dbraw/zinc/24/92/09/867249209.db2.gz SAEOKUFYAAZHEN-FQEVSTJZSA-N 1 0 380.488 3.854 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000742371436 867266226 /nfs/dbraw/zinc/26/62/26/867266226.db2.gz WXDQUJYWESAVIL-KRWDZBQOSA-N 1 0 375.394 3.954 20 30 GHEDRO Cc1cc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000479240615 867393134 /nfs/dbraw/zinc/39/31/34/867393134.db2.gz HHOIKYSPDKPFQE-UHFFFAOYSA-N 1 0 397.906 3.702 20 30 GHEDRO CN1CC[C@H](CNC(=O)C#Cc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000828035985 867399134 /nfs/dbraw/zinc/39/91/34/867399134.db2.gz GEQDDFMFOZLRSA-AUUYWEPGSA-N 1 0 376.884 3.701 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000440622444 867567732 /nfs/dbraw/zinc/56/77/32/867567732.db2.gz HVIKDJUCNHQAMV-RBBKRZOGSA-N 1 0 375.476 3.625 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(OCC#N)c2)[C@@H]1c1cccs1 ZINC000743101747 867845237 /nfs/dbraw/zinc/84/52/37/867845237.db2.gz ADDWGRIGFCRCIH-HNAYVOBHSA-N 1 0 384.505 3.855 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000523744856 867887021 /nfs/dbraw/zinc/88/70/21/867887021.db2.gz PIUCWJNWKHCSRS-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C#CCOc1cccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000743146111 867897383 /nfs/dbraw/zinc/89/73/83/867897383.db2.gz COLXFCMOAGZGBG-IBGZPJMESA-N 1 0 377.488 3.827 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(N(CC)Cc3ccccc3)cc2)CC1 ZINC000743489304 868235148 /nfs/dbraw/zinc/23/51/48/868235148.db2.gz FTTILUQCFXDAJW-UHFFFAOYSA-N 1 0 389.543 3.931 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)CC1 ZINC000743493100 868237764 /nfs/dbraw/zinc/23/77/64/868237764.db2.gz HMIFQGKLIMEDFH-UHFFFAOYSA-N 1 0 398.510 3.823 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cc1F ZINC000156142754 868267602 /nfs/dbraw/zinc/26/76/02/868267602.db2.gz RZKOJQBFQHWPQJ-UHFFFAOYSA-N 1 0 382.454 3.653 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508845808 868341809 /nfs/dbraw/zinc/34/18/09/868341809.db2.gz PFDIVSCQQZHIQR-UHFFFAOYSA-N 1 0 390.535 3.687 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000553863457 868368972 /nfs/dbraw/zinc/36/89/72/868368972.db2.gz RQMQCCIUQJHMSE-KRWDZBQOSA-N 1 0 390.487 3.692 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(C)(C)C[NH+](C)C ZINC000479765748 868489314 /nfs/dbraw/zinc/48/93/14/868489314.db2.gz WQBLORRJVDEHQO-QGZVFWFLSA-N 1 0 379.504 3.843 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1OC ZINC000743988488 868517949 /nfs/dbraw/zinc/51/79/49/868517949.db2.gz GKSZTCVQKMUXBZ-OWBHPGMISA-N 1 0 386.536 3.996 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000183891172 868575047 /nfs/dbraw/zinc/57/50/47/868575047.db2.gz KPXNFZHUKNKQCH-KRWDZBQOSA-N 1 0 380.414 3.744 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000479923331 868701574 /nfs/dbraw/zinc/70/15/74/868701574.db2.gz MBRTVRVUIGHSKV-ROUUACIJSA-N 1 0 379.552 3.805 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000190562743 882221646 /nfs/dbraw/zinc/22/16/46/882221646.db2.gz HVRBCCPILOUJFB-UHFFFAOYSA-N 1 0 385.430 3.770 20 30 GHEDRO COc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)ccc1C#N ZINC000440818120 868754759 /nfs/dbraw/zinc/75/47/59/868754759.db2.gz GERDNYZBJOFAAU-HSZRJFAPSA-N 1 0 399.494 3.584 20 30 GHEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000744411318 868820208 /nfs/dbraw/zinc/82/02/08/868820208.db2.gz LQHVNXDVEGEADG-SIKLNZKXSA-N 1 0 386.499 3.997 20 30 GHEDRO CCOc1ccccc1OCCO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000744445653 868847411 /nfs/dbraw/zinc/84/74/11/868847411.db2.gz DCLDRYXUSQZCLU-UHFFFAOYSA-N 1 0 383.492 3.792 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(F)c(C#N)c1 ZINC000158352245 868927336 /nfs/dbraw/zinc/92/73/36/868927336.db2.gz QBYIPIUULBUYHA-UHFFFAOYSA-N 1 0 385.512 3.796 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508847671 868935476 /nfs/dbraw/zinc/93/54/76/868935476.db2.gz KZPBPFOUWAUIGX-WMZOPIPTSA-N 1 0 387.503 3.520 20 30 GHEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000524453177 869104432 /nfs/dbraw/zinc/10/44/32/869104432.db2.gz QZBYRGSDXREFQV-OXJNMPFZSA-N 1 0 393.487 3.812 20 30 GHEDRO N#Cc1c(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)sc2c1CCC2 ZINC000508852812 869214065 /nfs/dbraw/zinc/21/40/65/869214065.db2.gz NVKJWOZDYUIFOP-UHFFFAOYSA-N 1 0 383.542 3.910 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[NH+](C)C ZINC000524547943 869238431 /nfs/dbraw/zinc/23/84/31/869238431.db2.gz IKGNBOVNYYLSGC-NRFANRHFSA-N 1 0 379.504 3.843 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000475701872 882291966 /nfs/dbraw/zinc/29/19/66/882291966.db2.gz MGCNANTXVDTBQQ-UHFFFAOYSA-N 1 0 377.366 3.920 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1 ZINC000609095473 869416186 /nfs/dbraw/zinc/41/61/86/869416186.db2.gz WDKRRHOZHIHJAG-GOTSBHOMSA-N 1 0 390.531 3.726 20 30 GHEDRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(C#N)c(F)c1 ZINC000539634457 869478547 /nfs/dbraw/zinc/47/85/47/869478547.db2.gz GNHZJPJLCGYJOV-HNNXBMFYSA-N 1 0 380.467 3.568 20 30 GHEDRO C[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000462545438 869640308 /nfs/dbraw/zinc/64/03/08/869640308.db2.gz PHNMSERVJTUHOB-AVRDEDQJSA-N 1 0 376.504 3.570 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1=O ZINC000539710770 869642279 /nfs/dbraw/zinc/64/22/79/869642279.db2.gz BKRGJVCDEWJTKE-OALUTQOASA-N 1 0 385.305 3.915 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000524894556 869714028 /nfs/dbraw/zinc/71/40/28/869714028.db2.gz NVDZCXBZIMYCQP-NRFANRHFSA-N 1 0 390.531 3.530 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC2(N(C)C)Cc3ccccc3C2)ccc1OC ZINC000462726937 869952705 /nfs/dbraw/zinc/95/27/05/869952705.db2.gz UBZSGWMSRNUXFN-UHFFFAOYSA-N 1 0 380.532 3.839 20 30 GHEDRO N#Cc1ccc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c(C(F)(F)F)c1 ZINC000462851290 870201295 /nfs/dbraw/zinc/20/12/95/870201295.db2.gz BZFHNQVACHQBKR-SFHVURJKSA-N 1 0 375.394 3.756 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCC1 ZINC001273438769 870215357 /nfs/dbraw/zinc/21/53/57/870215357.db2.gz PVLRYOMXLCPLGD-UHFFFAOYSA-N 1 0 391.515 3.887 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000617585482 870466904 /nfs/dbraw/zinc/46/69/04/870466904.db2.gz OYHWXUBZSIRWLN-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000130115247 870470476 /nfs/dbraw/zinc/47/04/76/870470476.db2.gz BTWKVZYOZOCTQN-UHFFFAOYSA-N 1 0 378.472 3.722 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(NS(C)(=O)=O)c1 ZINC000540176803 870666989 /nfs/dbraw/zinc/66/69/89/870666989.db2.gz YKBYUYLITZMFKK-OAHLLOKOSA-N 1 0 389.546 3.514 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc(OC)c1O ZINC000463036111 870712799 /nfs/dbraw/zinc/71/27/99/870712799.db2.gz JHKYHCADHHTGKG-XMMPIXPASA-N 1 0 381.516 3.947 20 30 GHEDRO N#CCOc1ccccc1C(=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181292018 870734906 /nfs/dbraw/zinc/73/49/06/870734906.db2.gz DHXWXQBPHQQIKQ-FQEVSTJZSA-N 1 0 376.456 3.509 20 30 GHEDRO C=CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000249133872 870769605 /nfs/dbraw/zinc/76/96/05/870769605.db2.gz GFSJSCPPEJYDHB-IRLDBZIGSA-N 1 0 391.515 3.682 20 30 GHEDRO Cc1nc2ccccc2n1CCCCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000463071400 870827724 /nfs/dbraw/zinc/82/77/24/870827724.db2.gz REQCUGZXZDJUBK-UHFFFAOYSA-N 1 0 388.519 3.604 20 30 GHEDRO Clc1cccc(C#CC[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000447044312 870899871 /nfs/dbraw/zinc/89/98/71/870899871.db2.gz KEBVRPKQSITBHV-UHFFFAOYSA-N 1 0 378.701 3.988 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463120347 870958990 /nfs/dbraw/zinc/95/89/90/870958990.db2.gz PGFXZOGDAPUFRP-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)CC1 ZINC000538959441 870977087 /nfs/dbraw/zinc/97/70/87/870977087.db2.gz NCDCPGRAWWHUAY-UHFFFAOYSA-N 1 0 393.409 3.556 20 30 GHEDRO C#CC[C@@H](NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)c1ccccc1 ZINC000766545849 871042952 /nfs/dbraw/zinc/04/29/52/871042952.db2.gz QYKLJWFHGBQJQV-JOCHJYFZSA-N 1 0 385.552 3.531 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+]([C@H](CC)Cc1ccc3c(c1)OCO3)CCC2 ZINC001170439027 882472608 /nfs/dbraw/zinc/47/26/08/882472608.db2.gz XRORDEDRHRIFBV-GOSISDBHSA-N 1 0 383.492 3.541 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c(C)o1 ZINC000093009347 882474949 /nfs/dbraw/zinc/47/49/49/882474949.db2.gz YUWMNXYTVOXEDZ-MRXNPFEDSA-N 1 0 381.476 3.582 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441220654 871174866 /nfs/dbraw/zinc/17/48/66/871174866.db2.gz AZRSBYIEDBGGLO-RTBURBONSA-N 1 0 398.551 3.779 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000540404446 871191784 /nfs/dbraw/zinc/19/17/84/871191784.db2.gz NOYKKDNAWUKRIF-FTRWYGJKSA-N 1 0 377.554 3.519 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)c2cccc(C#N)c2)CC2CCC2)c(OC)c1 ZINC001193742970 871259438 /nfs/dbraw/zinc/25/94/38/871259438.db2.gz GLVOGOZIBLTELW-QFIPXVFZSA-N 1 0 380.488 3.911 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000793934880 882491821 /nfs/dbraw/zinc/49/18/21/882491821.db2.gz ZHQFYRVNVFAAFE-WWMYMODYSA-N 1 0 397.544 3.984 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]Cc3ccc(-c4ccc5c(c4)CCCO5)cc3)cnc12 ZINC000550853699 882493821 /nfs/dbraw/zinc/49/38/21/882493821.db2.gz USWGZHRIPQAJCB-UHFFFAOYSA-N 1 0 395.466 3.883 20 30 GHEDRO CC[N@H+](CCC1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1)CC(C)C ZINC000539098701 871310371 /nfs/dbraw/zinc/31/03/71/871310371.db2.gz JEFSSGKJSWBRCV-UHFFFAOYSA-N 1 0 388.556 3.787 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000461996911 871413917 /nfs/dbraw/zinc/41/39/17/871413917.db2.gz WTPFGEITYMPRCJ-GOSISDBHSA-N 1 0 391.515 3.699 20 30 GHEDRO CCCCCCCOC(=O)N1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001194003191 871425766 /nfs/dbraw/zinc/42/57/66/871425766.db2.gz MYNOFDYDPVCDGE-UHFFFAOYSA-N 1 0 376.545 3.834 20 30 GHEDRO N#CC(CC[N@H+]1CCC[C@H](N2CCCC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000618281339 871466457 /nfs/dbraw/zinc/46/64/57/871466457.db2.gz UAIUNSSAUCYMIZ-QHCPKHFHSA-N 1 0 387.527 3.973 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1nc2ccccc2n1C ZINC000525859280 871589641 /nfs/dbraw/zinc/58/96/41/871589641.db2.gz OLYDUATWCIYZOU-ZLPCBKJTSA-N 1 0 375.476 3.881 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000525859062 871590600 /nfs/dbraw/zinc/59/06/00/871590600.db2.gz IHKMCWNITPFEEK-VMEOHVCESA-N 1 0 390.487 3.879 20 30 GHEDRO C=CCOC(=O)Nc1ccc(C(=O)OCC[NH+](CC)CC)c(OCCC)c1 ZINC001194320249 871618132 /nfs/dbraw/zinc/61/81/32/871618132.db2.gz YYMSIWKAQROTTG-UHFFFAOYSA-N 1 0 378.469 3.709 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540594942 871656371 /nfs/dbraw/zinc/65/63/71/871656371.db2.gz KJCVWMGWHGIOPT-SFHVURJKSA-N 1 0 391.515 3.862 20 30 GHEDRO CC[C@@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000447522407 871746526 /nfs/dbraw/zinc/74/65/26/871746526.db2.gz YOKSTZPDCWKMGC-DHIUTWEWSA-N 1 0 379.504 3.681 20 30 GHEDRO N#CC1(c2cccnc2NCc2ncccc2O)CC[NH+](Cc2ccccc2)CC1 ZINC001169732140 871828018 /nfs/dbraw/zinc/82/80/18/871828018.db2.gz IPUXMNDJWZUNHK-UHFFFAOYSA-N 1 0 399.498 3.852 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000447592467 871902310 /nfs/dbraw/zinc/90/23/10/871902310.db2.gz LQYQPGCQZSZOCM-RTWAWAEBSA-N 1 0 390.443 3.629 20 30 GHEDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447580317 871930671 /nfs/dbraw/zinc/93/06/71/871930671.db2.gz NTJMNRXCKRTWOR-QFIPXVFZSA-N 1 0 397.544 3.700 20 30 GHEDRO CCOc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccc(C)cc2)cc1 ZINC000101535081 872072470 /nfs/dbraw/zinc/07/24/70/872072470.db2.gz LUNPYMOTKIATJT-UHFFFAOYSA-O 1 0 397.442 3.772 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)C2)CC1 ZINC000618854528 872080464 /nfs/dbraw/zinc/08/04/64/872080464.db2.gz YHOCKZZLPVWNKU-UGKGYDQZSA-N 1 0 380.536 3.699 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000618893671 872116156 /nfs/dbraw/zinc/11/61/56/872116156.db2.gz VGWWBFFZBWWOKP-UGKGYDQZSA-N 1 0 377.463 3.713 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccccc2Br)C(=S)NC)cc1 ZINC000022734075 872145109 /nfs/dbraw/zinc/14/51/09/872145109.db2.gz FAMGSMOIFDKWKQ-UHFFFAOYSA-O 1 0 392.342 3.847 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)cc1 ZINC001195123622 872185510 /nfs/dbraw/zinc/18/55/10/872185510.db2.gz VTWWSWCNHNDXII-AZUAARDMSA-N 1 0 397.544 3.835 20 30 GHEDRO N#CCC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000526862307 872253076 /nfs/dbraw/zinc/25/30/76/872253076.db2.gz XIYLHGPQJOFHSW-ZRBLBEILSA-N 1 0 388.515 3.805 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000619073775 872280989 /nfs/dbraw/zinc/28/09/89/872280989.db2.gz UVQQTIAILFJEID-NRFANRHFSA-N 1 0 391.450 3.651 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C1CCCCC1 ZINC000552259500 872315296 /nfs/dbraw/zinc/31/52/96/872315296.db2.gz IQCYBQXPORDLFE-RBUKOAKNSA-N 1 0 375.463 3.732 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000552271187 872331773 /nfs/dbraw/zinc/33/17/73/872331773.db2.gz WSFOSRUHDHJTRU-NJDAHSKKSA-N 1 0 383.536 3.612 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000447853099 872413844 /nfs/dbraw/zinc/41/38/44/872413844.db2.gz DHPWPNPLZCBXBP-VXKWHMMOSA-N 1 0 375.472 3.899 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000463761471 872518038 /nfs/dbraw/zinc/51/80/38/872518038.db2.gz BQLQHMLAWTWKAB-IBGZPJMESA-N 1 0 384.476 3.728 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(C#N)c(F)c1 ZINC000527040240 872520652 /nfs/dbraw/zinc/52/06/52/872520652.db2.gz GTCCQDKIQDEZMM-ZUOKHONESA-N 1 0 387.405 3.817 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619478161 872673884 /nfs/dbraw/zinc/67/38/84/872673884.db2.gz LJGAIEIDVBNIGV-GHTZIAJQSA-N 1 0 397.544 3.599 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000619483070 872681039 /nfs/dbraw/zinc/68/10/39/872681039.db2.gz LWGTZOSTUBMDCP-GHTZIAJQSA-N 1 0 399.560 3.796 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000182812734 872785827 /nfs/dbraw/zinc/78/58/27/872785827.db2.gz VBQJVLSYEJWAAB-JTHBVZDNSA-N 1 0 389.499 3.592 20 30 GHEDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cnn1-c1ccc(F)cc1 ZINC000182867825 872901919 /nfs/dbraw/zinc/90/19/19/872901919.db2.gz DRZQMZWFQYDATE-ZDUSSCGKSA-N 1 0 397.479 3.932 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000478401537 872948547 /nfs/dbraw/zinc/94/85/47/872948547.db2.gz DJORIUGDCHKYJV-UHFFFAOYSA-N 1 0 383.458 3.865 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756626 872965682 /nfs/dbraw/zinc/96/56/82/872965682.db2.gz AJMHNAKUAJVVFK-DNVCBOLYSA-N 1 0 382.895 3.846 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001196312886 873006997 /nfs/dbraw/zinc/00/69/97/873006997.db2.gz IXJRQFCHTMJYSJ-JOCHJYFZSA-N 1 0 376.529 3.996 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000619770646 873007756 /nfs/dbraw/zinc/00/77/56/873007756.db2.gz JXPXKZUMOZZPSJ-KXBFYZLASA-N 1 0 382.895 3.674 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC001196328392 873034035 /nfs/dbraw/zinc/03/40/35/873034035.db2.gz HDMHZMYEPZQCGU-KSFYIVLOSA-N 1 0 377.488 3.779 20 30 GHEDRO N#CCNC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000182975382 873051044 /nfs/dbraw/zinc/05/10/44/873051044.db2.gz NVAUXFOGVDHXGE-KRWDZBQOSA-N 1 0 380.250 3.646 20 30 GHEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619828141 873060323 /nfs/dbraw/zinc/06/03/23/873060323.db2.gz MQRCAUDZDBJFMR-UHFFFAOYSA-N 1 0 376.932 3.865 20 30 GHEDRO N#Cc1cccc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000183024058 873128227 /nfs/dbraw/zinc/12/82/27/873128227.db2.gz ZCIVCUGHGUOOKX-IBGZPJMESA-N 1 0 387.405 3.858 20 30 GHEDRO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001196537529 873190493 /nfs/dbraw/zinc/19/04/93/873190493.db2.gz ZKNURVSTPQOWAO-GOSISDBHSA-N 1 0 396.510 3.841 20 30 GHEDRO N#Cc1ccc(CCC(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000152990544 873380147 /nfs/dbraw/zinc/38/01/47/873380147.db2.gz BMAKSAVLNOOJJO-QFIPXVFZSA-N 1 0 399.498 3.773 20 30 GHEDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)nc1 ZINC000858012056 882717515 /nfs/dbraw/zinc/71/75/15/882717515.db2.gz WJFVOZWHPJUWIM-NRFANRHFSA-N 1 0 387.487 3.821 20 30 GHEDRO C=CC[N@@H+](Cc1cc(I)c(OC)c(OC)c1)C(C)C ZINC000768546677 873407019 /nfs/dbraw/zinc/40/70/19/873407019.db2.gz CHXZJPWNIHXGIW-UHFFFAOYSA-N 1 0 375.250 3.705 20 30 GHEDRO C#C[C@H](NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)C(C)(C)C ZINC001196812467 873408408 /nfs/dbraw/zinc/40/84/08/873408408.db2.gz FLAOAVRCJBMHBM-SFHVURJKSA-N 1 0 376.932 3.651 20 30 GHEDRO N#Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000448564378 873572598 /nfs/dbraw/zinc/57/25/98/873572598.db2.gz QGPFETZRIZBPQX-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO COc1ccc2nc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)sc2c1 ZINC000527809282 873594326 /nfs/dbraw/zinc/59/43/26/873594326.db2.gz JBZVIEGIGNGOOQ-UHFFFAOYSA-N 1 0 379.485 3.972 20 30 GHEDRO CN(Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001197184704 873618875 /nfs/dbraw/zinc/61/88/75/873618875.db2.gz DEYJIGIFTIEQRI-HXUWFJFHSA-N 1 0 378.476 3.953 20 30 GHEDRO CC(C)[NH+](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C(C)C ZINC000476627918 882756214 /nfs/dbraw/zinc/75/62/14/882756214.db2.gz OXWSWBZVTKBJMG-UHFFFAOYSA-N 1 0 386.540 3.666 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448714190 873842859 /nfs/dbraw/zinc/84/28/59/873842859.db2.gz OFWCYRUDFNZCSL-GJZGRUSLSA-N 1 0 392.341 3.809 20 30 GHEDRO Cc1cc(C(=O)N(CCC#N)Cc2ccc(Cl)cc2)nn1-c1cc[nH+]cc1 ZINC001197532701 873861734 /nfs/dbraw/zinc/86/17/34/873861734.db2.gz HSUSOFRJZKJWEE-UHFFFAOYSA-N 1 0 379.851 3.785 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528032432 873897186 /nfs/dbraw/zinc/89/71/86/873897186.db2.gz AGZQFMXWTADFHU-YADHBBJMSA-N 1 0 379.479 3.781 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001197694334 873985299 /nfs/dbraw/zinc/98/52/99/873985299.db2.gz MYCJDEPHZGQBPW-UHFFFAOYSA-N 1 0 391.544 3.638 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001197705920 873992359 /nfs/dbraw/zinc/99/23/59/873992359.db2.gz NQYYNGGEBOQNDQ-JOCHJYFZSA-N 1 0 376.529 3.996 20 30 GHEDRO Cc1cc(F)ccc1C[NH+]1CCC(NC(=S)Nc2cccc(C#N)c2)CC1 ZINC001197736012 874016598 /nfs/dbraw/zinc/01/65/98/874016598.db2.gz JEYQUIJAJWJFDC-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000448825601 874025247 /nfs/dbraw/zinc/02/52/47/874025247.db2.gz UQNLZPHPRSDWSX-CKEIUWERSA-N 1 0 390.325 3.798 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC001197836370 874064225 /nfs/dbraw/zinc/06/42/25/874064225.db2.gz AXCATDPJGBJOCN-UHFFFAOYSA-N 1 0 386.495 3.631 20 30 GHEDRO N#Cc1csc(COC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000842075470 882790298 /nfs/dbraw/zinc/79/02/98/882790298.db2.gz JZEPPNYPNIKQLY-KRWDZBQOSA-N 1 0 395.406 3.513 20 30 GHEDRO C=CC[C@H]([NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccncc1 ZINC000769519908 874126677 /nfs/dbraw/zinc/12/66/77/874126677.db2.gz SKARMBOWYLVBHP-WDSOQIARSA-N 1 0 375.513 3.703 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1 ZINC000769562358 874159758 /nfs/dbraw/zinc/15/97/58/874159758.db2.gz MAQQWZNFXBPZKT-MRXNPFEDSA-N 1 0 375.513 3.960 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000609135447 874219316 /nfs/dbraw/zinc/21/93/16/874219316.db2.gz KQIQZZRRURHEHQ-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528276146 874295569 /nfs/dbraw/zinc/29/55/69/874295569.db2.gz GUCIADKSSDMPTE-YADHBBJMSA-N 1 0 379.479 3.781 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc(N(C)C)cc1 ZINC000775836270 874331611 /nfs/dbraw/zinc/33/16/11/874331611.db2.gz LUYLSETZMJSKJQ-BEFAXECRSA-N 1 0 385.471 3.640 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc(N(C)C)cc1 ZINC000775836281 874331995 /nfs/dbraw/zinc/33/19/95/874331995.db2.gz LUYLSETZMJSKJQ-DNVCBOLYSA-N 1 0 385.471 3.640 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000541895685 874483667 /nfs/dbraw/zinc/48/36/67/874483667.db2.gz KUJCGWQOOBSYLD-GHTZIAJQSA-N 1 0 387.487 3.618 20 30 GHEDRO CN(C)c1ccc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000775879807 874514727 /nfs/dbraw/zinc/51/47/27/874514727.db2.gz DKQFSUZAZONLIT-UHFFFAOYSA-N 1 0 376.504 3.832 20 30 GHEDRO C=CCc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc(OC)c1O ZINC000770384915 874626509 /nfs/dbraw/zinc/62/65/09/874626509.db2.gz GNNCVKGCLVLDOA-DOTOQJQBSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCNC(=O)c2ccc(F)cc2)cc1OC ZINC000858107314 882852877 /nfs/dbraw/zinc/85/28/77/882852877.db2.gz NXFHORCMHZQLMY-UHFFFAOYSA-N 1 0 392.858 3.572 20 30 GHEDRO C=CCC(C)(C)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449341446 874730638 /nfs/dbraw/zinc/73/06/38/874730638.db2.gz TZJIGDFUZVIGCM-CYBMUJFWSA-N 1 0 383.330 3.654 20 30 GHEDRO C#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1F ZINC000804416802 882857160 /nfs/dbraw/zinc/85/71/60/882857160.db2.gz SOHBIXZISAJKID-OXQOHEQNSA-N 1 0 385.870 3.577 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000783653460 874813542 /nfs/dbraw/zinc/81/35/42/874813542.db2.gz AWHMPWZFJVWKBC-GOSISDBHSA-N 1 0 376.294 3.715 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)nc1 ZINC001199252260 874874637 /nfs/dbraw/zinc/87/46/37/874874637.db2.gz FAMMDRBROORTNO-VQTJNVASSA-N 1 0 391.475 3.884 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000770804971 874877106 /nfs/dbraw/zinc/87/71/06/874877106.db2.gz HMVNXYLLUAWGHG-HNNXBMFYSA-N 1 0 376.472 3.701 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528715164 874925671 /nfs/dbraw/zinc/92/56/71/874925671.db2.gz LFYMQIGQQKRKQB-MRXNPFEDSA-N 1 0 380.492 3.851 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1C#N ZINC000475727921 882881382 /nfs/dbraw/zinc/88/13/82/882881382.db2.gz QSRCYCSZOVFRKG-INMHGKMJSA-N 1 0 382.508 3.923 20 30 GHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(-c2ccccc2)n1 ZINC000271749972 874995195 /nfs/dbraw/zinc/99/51/95/874995195.db2.gz UVVGSJKTPJLOHD-UHFFFAOYSA-N 1 0 399.498 3.809 20 30 GHEDRO CCn1c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)nc2cc(F)ccc21 ZINC000528778122 875051127 /nfs/dbraw/zinc/05/11/27/875051127.db2.gz FSQRCUCUDCYRCX-UHFFFAOYSA-N 1 0 378.451 3.862 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCCc3nc(-c4ccccc4)no3)CCOCC2)cc1 ZINC000528780454 875052139 /nfs/dbraw/zinc/05/21/39/875052139.db2.gz CSYVZJQEZZJMHX-UHFFFAOYSA-N 1 0 388.471 3.836 20 30 GHEDRO C=CCSc1ncccc1C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001199741125 875159661 /nfs/dbraw/zinc/15/96/61/875159661.db2.gz ZUYSLBJDJDOEKX-UHFFFAOYSA-N 1 0 396.560 3.750 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)C[NH+](C)C ZINC001199762824 875170468 /nfs/dbraw/zinc/17/04/68/875170468.db2.gz YNSAEWKHQIMZKO-MRXNPFEDSA-N 1 0 380.492 3.765 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)s2)cc1 ZINC000528874683 875195532 /nfs/dbraw/zinc/19/55/32/875195532.db2.gz KEMZNYOMPAKHPX-SFHVURJKSA-N 1 0 395.532 3.744 20 30 GHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000429496678 875199775 /nfs/dbraw/zinc/19/97/75/875199775.db2.gz NDFLOVIEDGILGJ-LEWJYISDSA-N 1 0 394.519 3.511 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000858173100 882907211 /nfs/dbraw/zinc/90/72/11/882907211.db2.gz QVBRSJLLTKTBJW-JECHBYEQSA-N 1 0 388.277 3.703 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)cn2)c1 ZINC000528912513 875254600 /nfs/dbraw/zinc/25/46/00/875254600.db2.gz JAOGWEXKQNPPKL-IBGZPJMESA-N 1 0 391.475 3.884 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465189455 875274283 /nfs/dbraw/zinc/27/42/83/875274283.db2.gz VUXFGMDUTGMWAX-MSOLQXFVSA-N 1 0 393.487 3.685 20 30 GHEDRO Cc1c(Cl)cnc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1C#N ZINC000542280724 875293240 /nfs/dbraw/zinc/29/32/40/875293240.db2.gz NYAQZCXTUVZUCD-UHFFFAOYSA-N 1 0 389.975 3.548 20 30 GHEDRO COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(N4CC[NH+](C)CC4)cc3)c2c1 ZINC000771524243 875312015 /nfs/dbraw/zinc/31/20/15/875312015.db2.gz HNBJGVPVSWXMJT-BJMVGYQFSA-N 1 0 375.472 3.824 20 30 GHEDRO CC[N@H+](Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(C)c(C#N)c2)CC1 ZINC001201304026 875620966 /nfs/dbraw/zinc/62/09/66/875620966.db2.gz WWLCRKYKEBVUCF-UHFFFAOYSA-N 1 0 397.544 3.542 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000772113606 875703876 /nfs/dbraw/zinc/70/38/76/875703876.db2.gz OUYVMHLBUJMPCM-UHFFFAOYSA-N 1 0 388.920 3.776 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000106040648 875741104 /nfs/dbraw/zinc/74/11/04/875741104.db2.gz ZECKVPLMASFIJU-LXXRFIIISA-N 1 0 384.520 3.579 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1 ZINC000609331332 882966510 /nfs/dbraw/zinc/96/65/10/882966510.db2.gz ZNBXVWWGAWWEDT-UHFFFAOYSA-N 1 0 376.460 3.748 20 30 GHEDRO CCCCCCCC[N@@H+]1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001201815098 875871998 /nfs/dbraw/zinc/87/19/98/875871998.db2.gz WHROAXKEUAXQBE-FQEVSTJZSA-N 1 0 380.554 3.543 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC2)cc1 ZINC000271896471 875906023 /nfs/dbraw/zinc/90/60/23/875906023.db2.gz UGUNBQWPFAAYOY-OAQYLSRUSA-N 1 0 385.577 3.557 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC(C[NH+]3CCCC3)CC2)nc1-c1ccco1 ZINC000151815729 875958270 /nfs/dbraw/zinc/95/82/70/875958270.db2.gz OJBPVPDPSGYOCY-UHFFFAOYSA-N 1 0 387.553 3.625 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1)[C@H]1CCCO1 ZINC001202075047 876005359 /nfs/dbraw/zinc/00/53/59/876005359.db2.gz YAFNEGMEDUEBRT-DLBZAZTESA-N 1 0 396.325 3.907 20 30 GHEDRO CCc1ccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2cccc(C)c2)cc1 ZINC000151916964 876110852 /nfs/dbraw/zinc/11/08/52/876110852.db2.gz IAMIXIAHQBNGCU-UHFFFAOYSA-O 1 0 379.509 3.629 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000529446690 876144442 /nfs/dbraw/zinc/14/44/42/876144442.db2.gz SZITXUYDJSSBJE-IJXRJRJASA-N 1 0 394.544 3.557 20 30 GHEDRO Cn1cc(C(=O)C(C(=S)Nc2ccc3ccccc3c2)[n+]2ccccc2)cn1 ZINC000151929051 876168540 /nfs/dbraw/zinc/16/85/40/876168540.db2.gz NMRIWIUZBYLZJO-UHFFFAOYSA-O 1 0 387.488 3.912 20 30 GHEDRO S=C(NN=Cc1coc2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000746559105 876207960 /nfs/dbraw/zinc/20/79/60/876207960.db2.gz SYTNNYWNQZDLAA-UHFFFAOYSA-N 1 0 392.528 3.895 20 30 GHEDRO CC(C)C[C@H](CNc1nc2c(cc1C#N)COCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000450338714 876290673 /nfs/dbraw/zinc/29/06/73/876290673.db2.gz YUSQIMZVDMUEAG-LAUBAEHRSA-N 1 0 378.520 3.625 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2ncc(Br)cc2C#N)[C@@H]1c1cccs1 ZINC000450347462 876300130 /nfs/dbraw/zinc/30/01/30/876300130.db2.gz IAFKGQZPZLZDAG-MLGOLLRUSA-N 1 0 391.338 3.694 20 30 GHEDRO N#Cc1cccc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000450379871 876336052 /nfs/dbraw/zinc/33/60/52/876336052.db2.gz QVXRKYFEDHETLE-UHFFFAOYSA-N 1 0 384.411 3.561 20 30 GHEDRO N#Cc1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000450394372 876350379 /nfs/dbraw/zinc/35/03/79/876350379.db2.gz RERRURRSVUIJTN-UXHICEINSA-N 1 0 376.460 3.957 20 30 GHEDRO N#Cc1cccc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000450410233 876374896 /nfs/dbraw/zinc/37/48/96/876374896.db2.gz LMJOXDVKYXCCQQ-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)cc1 ZINC000786106946 876448831 /nfs/dbraw/zinc/44/88/31/876448831.db2.gz WNNSDIJUFMQEDA-UHFFFAOYSA-N 1 0 393.487 3.727 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C(C)(C)C2CCOCC2)c1C#N ZINC000786173216 876542708 /nfs/dbraw/zinc/54/27/08/876542708.db2.gz XWMBVQSYLHKHMZ-UHFFFAOYSA-N 1 0 386.540 3.825 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000450526591 876571040 /nfs/dbraw/zinc/57/10/40/876571040.db2.gz VWVRFFCUBKITKH-HXUWFJFHSA-N 1 0 397.320 3.818 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(N4CCC(CO)CC4)cc3)cc2)CC1 ZINC000850072750 876637912 /nfs/dbraw/zinc/63/79/12/876637912.db2.gz JMCWHUWLAXGUHM-UHFFFAOYSA-N 1 0 375.516 3.740 20 30 GHEDRO C=CCCn1cc(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)nn1 ZINC000850211262 876730631 /nfs/dbraw/zinc/73/06/31/876730631.db2.gz WBGXLGRSARCGCS-UHFFFAOYSA-N 1 0 396.539 3.671 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]Cc3cc(F)c(N4CCOCC4)c(F)c3)cc2)CC1 ZINC000850323324 876810526 /nfs/dbraw/zinc/81/05/26/876810526.db2.gz QMMAKMXKFCFLJS-UHFFFAOYSA-N 1 0 383.442 3.646 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001129663510 883068447 /nfs/dbraw/zinc/06/84/47/883068447.db2.gz FTFORKTYTCBEQW-HSZRJFAPSA-N 1 0 391.559 3.892 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000174242897 876925150 /nfs/dbraw/zinc/92/51/50/876925150.db2.gz RWVISUGZDHABKS-UHFFFAOYSA-N 1 0 377.488 3.815 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450869655 877002707 /nfs/dbraw/zinc/00/27/07/877002707.db2.gz YCBMABKRXLJVLT-NBJYBMASSA-N 1 0 399.560 3.814 20 30 GHEDRO COc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)c(OCc2cccnc2)c1 ZINC000443982266 877301790 /nfs/dbraw/zinc/30/17/90/877301790.db2.gz BDVRJCMQLCJKEI-UHFFFAOYSA-N 1 0 389.455 3.709 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000477278579 877335694 /nfs/dbraw/zinc/33/56/94/877335694.db2.gz YPJADWWSZPVVSM-FQEVSTJZSA-N 1 0 386.417 3.838 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1cccc(OC)c1 ZINC000064743271 877413464 /nfs/dbraw/zinc/41/34/64/877413464.db2.gz ALFIGDMRRVHWTQ-FQEVSTJZSA-N 1 0 396.491 3.780 20 30 GHEDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000610137519 877421765 /nfs/dbraw/zinc/42/17/65/877421765.db2.gz APYLBXMSWCNKPD-RBBKRZOGSA-N 1 0 398.528 3.583 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)NC1(c2ccccc2OC)CCC(F)(F)CC1 ZINC001183092194 912235038 /nfs/dbraw/zinc/23/50/38/912235038.db2.gz VBNOLGTUMQYCLS-UHFFFAOYSA-N 1 0 378.463 3.868 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCOC2)O1 ZINC000530281186 877439292 /nfs/dbraw/zinc/43/92/92/877439292.db2.gz BHKBBZKVRDLIID-VWNXMTODSA-N 1 0 392.499 3.907 20 30 GHEDRO COc1cccc(C[N@H+](CCOc2ccc(C#N)cc2OC)C[C@H]2CCCO2)c1 ZINC000610132630 877448154 /nfs/dbraw/zinc/44/81/54/877448154.db2.gz OXKRDGQSQAGZDM-OAQYLSRUSA-N 1 0 396.487 3.635 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001183080627 912236591 /nfs/dbraw/zinc/23/65/91/912236591.db2.gz VULNRSPZGPFONH-UHFFFAOYSA-N 1 0 379.464 3.503 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000451148800 877458066 /nfs/dbraw/zinc/45/80/66/877458066.db2.gz WQLPLGDHMPHXLE-UHFFFAOYSA-N 1 0 383.536 3.567 20 30 GHEDRO C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610162420 877467051 /nfs/dbraw/zinc/46/70/51/877467051.db2.gz ASTQAHJAJQMKSJ-MGPUTAFESA-N 1 0 393.878 3.766 20 30 GHEDRO C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610162422 877467823 /nfs/dbraw/zinc/46/78/23/877467823.db2.gz ASTQAHJAJQMKSJ-YWZLYKJASA-N 1 0 393.878 3.766 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)CC1(CC#N)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000451185154 877542461 /nfs/dbraw/zinc/54/24/61/877542461.db2.gz BIDLQTMKIONLOJ-KRWDZBQOSA-N 1 0 377.554 3.509 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)CC1(CC#N)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000451185159 877542674 /nfs/dbraw/zinc/54/26/74/877542674.db2.gz BIDLQTMKIONLOJ-QGZVFWFLSA-N 1 0 377.554 3.509 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC001183091371 912247328 /nfs/dbraw/zinc/24/73/28/912247328.db2.gz FIKQWLCGOPSBBJ-UHFFFAOYSA-N 1 0 396.453 3.522 20 30 GHEDRO OC[C@]1(F)CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451253343 877668102 /nfs/dbraw/zinc/66/81/02/877668102.db2.gz AHOXRYYFYBCFNE-VQTJNVASSA-N 1 0 377.381 3.857 20 30 GHEDRO CC(N=Nc1nnc(-c2ccccn2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788029729 877789825 /nfs/dbraw/zinc/78/98/25/877789825.db2.gz HDCWQHRNIIEXIS-KRWDZBQOSA-N 1 0 378.505 3.910 20 30 GHEDRO N#Cc1cc(N2CCC(C[NH+]3CCCCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000615490180 877814371 /nfs/dbraw/zinc/81/43/71/877814371.db2.gz XVWYYXYWXJMEOF-UHFFFAOYSA-N 1 0 379.464 3.717 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc1 ZINC000492992061 877962072 /nfs/dbraw/zinc/96/20/72/877962072.db2.gz KKBQAJDXCVLXKP-IBGZPJMESA-N 1 0 384.911 3.900 20 30 GHEDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000110311298 877987912 /nfs/dbraw/zinc/98/79/12/877987912.db2.gz AHAPQDQCVUXFBW-FQEVSTJZSA-N 1 0 377.488 3.627 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000852106798 878077195 /nfs/dbraw/zinc/07/71/95/878077195.db2.gz JDJIQUVNZMQKKZ-ICSRJNTNSA-N 1 0 384.524 3.574 20 30 GHEDRO OC[C@@H](N[NH+]=Cc1ccc(N2CCC(c3ccccc3)=N2)cc1)c1ccccc1 ZINC000788468368 878087051 /nfs/dbraw/zinc/08/70/51/878087051.db2.gz UNVHQNCQTJITDB-XMMPIXPASA-N 1 0 384.483 3.958 20 30 GHEDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451542383 878109082 /nfs/dbraw/zinc/10/90/82/878109082.db2.gz JPHRSZBTROCBSS-PBHICJAKSA-N 1 0 375.538 3.574 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)C[C@@H]21 ZINC000615849652 878192857 /nfs/dbraw/zinc/19/28/57/878192857.db2.gz LKFUQHXJNMPIKE-YPMHNXCESA-N 1 0 398.322 3.752 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000852318815 878234899 /nfs/dbraw/zinc/23/48/99/878234899.db2.gz CCBIIEVDYWSRHT-RTWAWAEBSA-N 1 0 378.472 3.533 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000451673110 878293347 /nfs/dbraw/zinc/29/33/47/878293347.db2.gz KGUVMLLGYQYFTE-KELGSRBJSA-N 1 0 381.516 3.785 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000122162817 878410005 /nfs/dbraw/zinc/41/00/05/878410005.db2.gz XTBPBPBYOPMPFM-UHFFFAOYSA-N 1 0 399.583 3.506 20 30 GHEDRO CCCNc1ccc(C#N)cc1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000530748326 878414071 /nfs/dbraw/zinc/41/40/71/878414071.db2.gz GZIPGBDBRXQKTQ-UHFFFAOYSA-N 1 0 377.492 3.939 20 30 GHEDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000746771608 878418756 /nfs/dbraw/zinc/41/87/56/878418756.db2.gz FFDBNQOWZSVFBF-OXJNMPFZSA-N 1 0 398.532 3.511 20 30 GHEDRO Cc1cc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)ccc1C#N ZINC000852600027 878453854 /nfs/dbraw/zinc/45/38/54/878453854.db2.gz BVJQWEYSRLPTQE-IBGZPJMESA-N 1 0 393.453 3.880 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460780888 878552218 /nfs/dbraw/zinc/55/22/18/878552218.db2.gz ICPDKUVBBYIZEC-PZJWPPBQSA-N 1 0 381.568 3.920 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732506 878562910 /nfs/dbraw/zinc/56/29/10/878562910.db2.gz UUKARXDAJTUFRQ-VXKWHMMOSA-N 1 0 399.922 3.934 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@H](O)c1ccc(Cl)cc1 ZINC000852733452 878564786 /nfs/dbraw/zinc/56/47/86/878564786.db2.gz ZJRDKRXXDIDPBF-WOJBJXKFSA-N 1 0 391.943 3.672 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000852806724 878613406 /nfs/dbraw/zinc/61/34/06/878613406.db2.gz YEUNKVSCZXMFHP-UHFFFAOYSA-N 1 0 393.434 3.694 20 30 GHEDRO C[C@@](CO)([NH2+]CCC(=O)Nc1sccc1C#N)c1cc(Cl)cc(Cl)c1 ZINC000451887235 878622460 /nfs/dbraw/zinc/62/24/60/878622460.db2.gz JNTCQGSSAVNQFJ-KRWDZBQOSA-N 1 0 398.315 3.752 20 30 GHEDRO C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000852834004 878626410 /nfs/dbraw/zinc/62/64/10/878626410.db2.gz WPWNMWPFPFSYGO-KRWDZBQOSA-N 1 0 380.463 3.585 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1)C1CC[NH+](C)CC1 ZINC000914138938 878645485 /nfs/dbraw/zinc/64/54/85/878645485.db2.gz IJQZORVXGGDJCL-MRXNPFEDSA-N 1 0 396.560 3.919 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000530965604 878818167 /nfs/dbraw/zinc/81/81/67/878818167.db2.gz TYTWQTPLEKKVHQ-FCHUYYIVSA-N 1 0 380.536 3.875 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000452023036 878821594 /nfs/dbraw/zinc/82/15/94/878821594.db2.gz XGAJNGAFKXIPPS-WOJBJXKFSA-N 1 0 398.482 3.591 20 30 GHEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000452034444 878856560 /nfs/dbraw/zinc/85/65/60/878856560.db2.gz KMZLBBAJNGZKKH-JFIYKMOQSA-N 1 0 375.538 3.957 20 30 GHEDRO CSC1(CNC(=O)c2ccccc2Oc2ccccc2C#N)CC[NH+](C)CC1 ZINC000460965972 878878650 /nfs/dbraw/zinc/87/86/50/878878650.db2.gz ABJPJLAEYFLKNI-UHFFFAOYSA-N 1 0 395.528 3.908 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(NC(N)=O)cc2)C(=S)NC)cc1 ZINC000111163089 878898169 /nfs/dbraw/zinc/89/81/69/878898169.db2.gz ZLYMNYFYDDSSBU-UHFFFAOYSA-O 1 0 399.540 3.527 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000538186978 878999400 /nfs/dbraw/zinc/99/94/00/878999400.db2.gz DMYUHLZTZPLHRN-XMSQKQJNSA-N 1 0 377.488 3.691 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)NCCc2cccs2)[n+]2ccccc2)c1 ZINC000068866044 879111289 /nfs/dbraw/zinc/11/12/89/879111289.db2.gz CFKLEVBONZCSTE-UHFFFAOYSA-O 1 0 397.545 3.815 20 30 GHEDRO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000538267862 879152865 /nfs/dbraw/zinc/15/28/65/879152865.db2.gz YKNNNIRQRSMLSW-OAQYLSRUSA-N 1 0 393.487 3.868 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000643045747 912429118 /nfs/dbraw/zinc/42/91/18/912429118.db2.gz HBGNOKGCKGVJPC-KRWDZBQOSA-N 1 0 398.334 3.747 20 30 GHEDRO CCOC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C(C)C ZINC001170118185 879264498 /nfs/dbraw/zinc/26/44/98/879264498.db2.gz QFXGYTQSRPROGC-OAQYLSRUSA-N 1 0 396.535 3.614 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000452346980 879320002 /nfs/dbraw/zinc/32/00/02/879320002.db2.gz YBQPTBHJUJCJLP-FQEVSTJZSA-N 1 0 393.535 3.704 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000188704620 879350398 /nfs/dbraw/zinc/35/03/98/879350398.db2.gz JYMCSAMEWFLPPM-HDICACEKSA-N 1 0 387.528 3.644 20 30 GHEDRO CC(C)(C#N)CS(=O)(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000790032607 879392076 /nfs/dbraw/zinc/39/20/76/879392076.db2.gz USQKZEVYTKFBLR-UHFFFAOYSA-N 1 0 399.560 3.548 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cn1 ZINC000854009970 879436113 /nfs/dbraw/zinc/43/61/13/879436113.db2.gz ISNFDRVQEMQTNR-UHFFFAOYSA-N 1 0 399.926 3.660 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NC2CC2)cc1 ZINC000069047714 879478162 /nfs/dbraw/zinc/47/81/62/879478162.db2.gz MOSCRUBVHQKKDG-UHFFFAOYSA-O 1 0 381.521 3.648 20 30 GHEDRO C=CCN1CC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCCC2)C1=O ZINC000493738964 879626904 /nfs/dbraw/zinc/62/69/04/879626904.db2.gz WGECSURWCBFSRF-KRWDZBQOSA-N 1 0 377.326 3.637 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000188710199 879633352 /nfs/dbraw/zinc/63/33/52/879633352.db2.gz RTOORBXJXQQXBR-UHFFFAOYSA-N 1 0 399.539 3.884 20 30 GHEDRO CCCC1CCC([N@H+](C)CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 ZINC000790476942 879748854 /nfs/dbraw/zinc/74/88/54/879748854.db2.gz GYFPXGOCBHKQFU-UHFFFAOYSA-N 1 0 382.508 3.571 20 30 GHEDRO COc1ccc2c(c1)CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H](c1ccccc1)C2 ZINC000247653591 880038509 /nfs/dbraw/zinc/03/85/09/880038509.db2.gz PLDQJBAMICSVLL-LADGPHEKSA-N 1 0 389.499 3.603 20 30 GHEDRO C#C[C@@H](CCC)NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000791066921 880187733 /nfs/dbraw/zinc/18/77/33/880187733.db2.gz GWIAAZINZHDVDS-SFHVURJKSA-N 1 0 381.442 3.725 20 30 GHEDRO C=C(C)[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(F)c(F)c1 ZINC000184844282 880395990 /nfs/dbraw/zinc/39/59/90/880395990.db2.gz UDGPZUHCZCCICA-FQEVSTJZSA-N 1 0 378.463 3.733 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1O ZINC000113331110 880517300 /nfs/dbraw/zinc/51/73/00/880517300.db2.gz WPSWXHIDUVNQEH-KRWDZBQOSA-N 1 0 397.393 3.851 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)ccc1OC ZINC000113348059 880520116 /nfs/dbraw/zinc/52/01/16/880520116.db2.gz BOTHBAHIAIDBFO-FQEVSTJZSA-N 1 0 376.460 3.852 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1=S ZINC000795708668 912590740 /nfs/dbraw/zinc/59/07/40/912590740.db2.gz VUAUGJAQTVLCMT-QUCCMNQESA-N 1 0 397.592 3.707 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1ccnc(C#N)c1 ZINC000747050227 880799804 /nfs/dbraw/zinc/79/98/04/880799804.db2.gz KACCDTZOSIVLAL-QGZVFWFLSA-N 1 0 379.460 3.563 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)OCCO2 ZINC000531970089 880847740 /nfs/dbraw/zinc/84/77/40/880847740.db2.gz JLWHBXSYAMMELZ-MAUKXSAKSA-N 1 0 381.451 3.788 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000453411838 880875880 /nfs/dbraw/zinc/87/58/80/880875880.db2.gz DOUGSBPQKRJGTK-LEWJYISDSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453413952 880879632 /nfs/dbraw/zinc/87/96/32/880879632.db2.gz MQNIUKZYXCXFMP-CEWLAPEOSA-N 1 0 395.551 3.977 20 30 GHEDRO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc(=O)n3c4ccccc4[nH]c3c1C#N)CC2 ZINC000776857658 880902979 /nfs/dbraw/zinc/90/29/79/880902979.db2.gz UOCHIZGFAVZIQQ-HXUWFJFHSA-N 1 0 382.467 3.899 20 30 GHEDRO C=CCn1c(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453441333 880903585 /nfs/dbraw/zinc/90/35/85/880903585.db2.gz OCGOKPFCTRNWDI-YYDVJCTNSA-N 1 0 395.551 3.589 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](C3CCC(C)CC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453465181 880969372 /nfs/dbraw/zinc/96/93/72/880969372.db2.gz MBKLXHQTJARKHW-OBFZPWGMSA-N 1 0 387.572 3.581 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000453466405 880971848 /nfs/dbraw/zinc/97/18/48/880971848.db2.gz PEAZORQTXYNHRE-SFHVURJKSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453467833 880973370 /nfs/dbraw/zinc/97/33/70/880973370.db2.gz RXYYYBJSYRVYBU-PZJWPPBQSA-N 1 0 395.551 3.807 20 30 GHEDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000453595676 881067589 /nfs/dbraw/zinc/06/75/89/881067589.db2.gz MRWSHPGDDANLDH-INIZCTEOSA-N 1 0 393.466 3.727 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000856259034 881071347 /nfs/dbraw/zinc/07/13/47/881071347.db2.gz FEIRULYDKGUFNA-INIZCTEOSA-N 1 0 380.454 3.830 20 30 GHEDRO C=CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000187384136 881174426 /nfs/dbraw/zinc/17/44/26/881174426.db2.gz GFSJSCPPEJYDHB-RBBKRZOGSA-N 1 0 391.515 3.682 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNc2c(C#N)cccc2C#N)cc1OC ZINC000195203517 881302226 /nfs/dbraw/zinc/30/22/26/881302226.db2.gz ISASESAEKOWHIS-UHFFFAOYSA-N 1 0 378.476 3.771 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000556978220 881314604 /nfs/dbraw/zinc/31/46/04/881314604.db2.gz NGXYQWHURJJIPV-JKSUJKDBSA-N 1 0 380.423 3.563 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)c(F)c1 ZINC000494242342 881324118 /nfs/dbraw/zinc/32/41/18/881324118.db2.gz RPPAAYRMSOONIO-UHFFFAOYSA-N 1 0 390.256 3.920 20 30 GHEDRO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(OCC#N)cc1 ZINC000182099241 883182064 /nfs/dbraw/zinc/18/20/64/883182064.db2.gz IRXGAPZYKVPGRE-SSKFGXFMSA-N 1 0 399.922 3.965 20 30 GHEDRO C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475752404 883188595 /nfs/dbraw/zinc/18/85/95/883188595.db2.gz PQHSPZPPMUTBSN-OAHLLOKOSA-N 1 0 394.357 3.737 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195325904 883277653 /nfs/dbraw/zinc/27/76/53/883277653.db2.gz IHRJAUAQXZMZBN-DKTYTTGXSA-N 1 0 375.557 3.729 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(Cl)cc1 ZINC000761671140 883307710 /nfs/dbraw/zinc/30/77/10/883307710.db2.gz YQVCOKQFYWKAMV-QGZVFWFLSA-N 1 0 390.846 3.806 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+]C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170465140 883313281 /nfs/dbraw/zinc/31/32/81/883313281.db2.gz MDPZVIPTEBAUEM-ROUUACIJSA-N 1 0 381.561 3.615 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000761673135 883315264 /nfs/dbraw/zinc/31/52/64/883315264.db2.gz ASTZMXIHDGTYJL-SFHVURJKSA-N 1 0 388.487 3.894 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609610291 883422059 /nfs/dbraw/zinc/42/20/59/883422059.db2.gz SJZDAWILLIHADF-NWSQWKLXSA-N 1 0 394.563 3.640 20 30 GHEDRO C[NH+](C)Cc1cc(CNC(=O)CCCCOc2cccc(C#N)c2)ccc1F ZINC000609664453 883507914 /nfs/dbraw/zinc/50/79/14/883507914.db2.gz YCSIBYWCQFZPAM-UHFFFAOYSA-N 1 0 383.467 3.624 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+]C2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C2)C1=O ZINC001170472688 883515577 /nfs/dbraw/zinc/51/55/77/883515577.db2.gz BQGDBXVNMQWNOF-QRVBRYPASA-N 1 0 393.572 3.710 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@H](COc3ccccc3F)c3ccccc3)cnc12 ZINC000551241398 883532422 /nfs/dbraw/zinc/53/24/22/883532422.db2.gz KRQAEUPVDYHRTM-HXUWFJFHSA-N 1 0 387.418 3.650 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000609680057 883538295 /nfs/dbraw/zinc/53/82/95/883538295.db2.gz OUNXUXDNSIUPRI-OAQYLSRUSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214830 883669554 /nfs/dbraw/zinc/66/95/54/883669554.db2.gz OZDJPGBLFCAPMS-OAHLLOKOSA-N 1 0 384.911 3.732 20 30 GHEDRO C[C@@H](CCCC(F)(F)F)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000494791867 883687644 /nfs/dbraw/zinc/68/76/44/883687644.db2.gz FYBGWTIMUCBWHB-INIZCTEOSA-N 1 0 396.457 3.897 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000761694635 883717822 /nfs/dbraw/zinc/71/78/22/883717822.db2.gz UZJPPAICUNVHMD-RXVVDRJESA-N 1 0 398.551 3.542 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000136170691 883724991 /nfs/dbraw/zinc/72/49/91/883724991.db2.gz GMFCXHUOQKYPLU-RBBKRZOGSA-N 1 0 394.494 3.869 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[NH+](C)C)cc1 ZINC000805308680 883725738 /nfs/dbraw/zinc/72/57/38/883725738.db2.gz IIBSMGBRBXYXQY-HSZRJFAPSA-N 1 0 393.531 3.749 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805274657 883731188 /nfs/dbraw/zinc/73/11/88/883731188.db2.gz SHAVPUSVBSXGRG-NKKJXINNSA-N 1 0 389.543 3.831 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000859587068 883915406 /nfs/dbraw/zinc/91/54/06/883915406.db2.gz XEBRYVBPPNBBHK-HYBUGGRVSA-N 1 0 391.515 3.614 20 30 GHEDRO Cc1cc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000760226051 883925231 /nfs/dbraw/zinc/92/52/31/883925231.db2.gz IOZBQYIYUIZACT-UHFFFAOYSA-N 1 0 386.590 3.828 20 30 GHEDRO CC[NH+](CC)CCOC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805595337 883926803 /nfs/dbraw/zinc/92/68/03/883926803.db2.gz ILJODULTCIRQND-UHFFFAOYSA-N 1 0 377.916 3.703 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)/C=C\c2ccccc2C#N)cc1 ZINC000918573513 883997167 /nfs/dbraw/zinc/99/71/67/883997167.db2.gz FIYICSKATPTFSR-KAMYIIQDSA-N 1 0 377.488 3.608 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000760410304 884057043 /nfs/dbraw/zinc/05/70/43/884057043.db2.gz WWPUCCYGBBMTIL-SFHVURJKSA-N 1 0 395.507 3.527 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1F ZINC000805776748 884057966 /nfs/dbraw/zinc/05/79/66/884057966.db2.gz WDWIFRQTZGAACO-DNVCBOLYSA-N 1 0 377.891 3.527 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000918649344 884089148 /nfs/dbraw/zinc/08/91/48/884089148.db2.gz PNWPXDQCRJVWKH-NRFANRHFSA-N 1 0 395.503 3.633 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000859883095 884146230 /nfs/dbraw/zinc/14/62/30/884146230.db2.gz LPYZRYABFNWOQP-LJQANCHMSA-N 1 0 399.535 3.801 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CCC1 ZINC000859954796 884205106 /nfs/dbraw/zinc/20/51/06/884205106.db2.gz OMDUCYKIBFMBTM-QZTJIDSGSA-N 1 0 381.501 3.596 20 30 GHEDRO N#C[C@H](COC(=O)C1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000805937914 884236345 /nfs/dbraw/zinc/23/63/45/884236345.db2.gz PKSYNGVXOMVRJC-CQSZACIVSA-N 1 0 391.309 3.549 20 30 GHEDRO COC1CCN(c2ccc(C[N@@H+]3CCc4c(CC#N)cccc4C3)cc2)CC1 ZINC000860108554 884335104 /nfs/dbraw/zinc/33/51/04/884335104.db2.gz DLZSFSCTBFMYNV-UHFFFAOYSA-N 1 0 375.516 3.926 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)ccc1C)CC2 ZINC001275247892 912820902 /nfs/dbraw/zinc/82/09/02/912820902.db2.gz JBMVWQRGRDZOBV-QGZVFWFLSA-N 1 0 377.326 3.662 20 30 GHEDRO Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001275248245 912823419 /nfs/dbraw/zinc/82/34/19/912823419.db2.gz IDZFZRDXVUYFSB-QZTJIDSGSA-N 1 0 390.325 3.627 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000495098556 884524779 /nfs/dbraw/zinc/52/47/79/884524779.db2.gz NUCZREKRWDZGHM-UHFFFAOYSA-N 1 0 380.414 3.511 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2nncc3ccccc32)c1C ZINC000914693428 884525901 /nfs/dbraw/zinc/52/59/01/884525901.db2.gz VSUFXOYZOJSQQE-HXUWFJFHSA-N 1 0 376.508 3.978 20 30 GHEDRO O=S(=O)(c1ccc(NN=Cc2ccc(-n3ccnc3)cc2)cc1)C(F)(F)F ZINC000914700075 884548715 /nfs/dbraw/zinc/54/87/15/884548715.db2.gz QMSNNPJTRKAAAO-UHFFFAOYSA-N 1 0 394.378 3.612 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000806307772 884551078 /nfs/dbraw/zinc/55/10/78/884551078.db2.gz VUYBSXSRYKTSON-JOCHJYFZSA-N 1 0 391.515 3.677 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000176575018 884560922 /nfs/dbraw/zinc/56/09/22/884560922.db2.gz NRTNJDIUDQVVJZ-MOPGFXCFSA-N 1 0 393.572 3.617 20 30 GHEDRO CC(C)CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1C#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183842150 912846325 /nfs/dbraw/zinc/84/63/25/912846325.db2.gz SQVGXVNQAZULPC-VABKMULXSA-N 1 0 396.579 3.667 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000051473253 884822660 /nfs/dbraw/zinc/82/26/60/884822660.db2.gz WDCQFNFQBRXCBO-HXUWFJFHSA-N 1 0 389.499 3.967 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H]1C ZINC000498565710 884851185 /nfs/dbraw/zinc/85/11/85/884851185.db2.gz DASHCMGPQFEQDC-ZWKOTPCHSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191317035 884875512 /nfs/dbraw/zinc/87/55/12/884875512.db2.gz NZOZMYNFPLTIAX-GFCCVEGCSA-N 1 0 381.427 3.702 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000103233066 884885707 /nfs/dbraw/zinc/88/57/07/884885707.db2.gz GOAMKVGIAAVFJO-QGZVFWFLSA-N 1 0 382.895 3.898 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC=NO2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001122595618 884908968 /nfs/dbraw/zinc/90/89/68/884908968.db2.gz LFZGFVIEZJGZCB-QGZVFWFLSA-N 1 0 388.560 3.638 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000106275615 885025189 /nfs/dbraw/zinc/02/51/89/885025189.db2.gz JKJAXUGHCNRMGV-INIZCTEOSA-N 1 0 399.514 3.721 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000248883542 885026618 /nfs/dbraw/zinc/02/66/18/885026618.db2.gz RVOLYWAIECDNMI-CJFMBICVSA-N 1 0 388.559 3.633 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccsc1 ZINC000465550450 885108100 /nfs/dbraw/zinc/10/81/00/885108100.db2.gz XLTFXIOANHFDBZ-XUVXKRRUSA-N 1 0 382.533 3.832 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000103859881 885181680 /nfs/dbraw/zinc/18/16/80/885181680.db2.gz YXLOQOBGZPJEDF-IBGZPJMESA-N 1 0 398.551 3.766 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000269734667 885226597 /nfs/dbraw/zinc/22/65/97/885226597.db2.gz VOOGIRKHSMSARL-UHFFFAOYSA-N 1 0 388.515 3.554 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)c(OC)c1 ZINC001130841874 885238678 /nfs/dbraw/zinc/23/86/78/885238678.db2.gz CFNBOXYLQKFIQR-FQEVSTJZSA-N 1 0 394.515 3.712 20 30 GHEDRO C=CCC1(CNC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CCCC1 ZINC000453971956 885269030 /nfs/dbraw/zinc/26/90/30/885269030.db2.gz IVMNWBZSKPRNPL-UHFFFAOYSA-N 1 0 383.536 3.515 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610805405 885290748 /nfs/dbraw/zinc/29/07/48/885290748.db2.gz IDESHLOBGLMPIU-UHFFFAOYSA-N 1 0 383.536 3.830 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000487891894 885293270 /nfs/dbraw/zinc/29/32/70/885293270.db2.gz DQLXYYWYUOYRBU-QGZVFWFLSA-N 1 0 399.292 3.717 20 30 GHEDRO C#CCN(C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000807255522 885328161 /nfs/dbraw/zinc/32/81/61/885328161.db2.gz NCAAUPHHLPBPOM-UHFFFAOYSA-N 1 0 383.536 3.637 20 30 GHEDRO C=CCOc1c(Cl)cc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC ZINC000623425107 885364212 /nfs/dbraw/zinc/36/42/12/885364212.db2.gz ROMRPKSVFHLBNS-MRXNPFEDSA-N 1 0 394.943 3.504 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000807466606 885462022 /nfs/dbraw/zinc/46/20/22/885462022.db2.gz DLCZCDXERZWQOV-DHIUTWEWSA-N 1 0 381.564 3.775 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000807469539 885467017 /nfs/dbraw/zinc/46/70/17/885467017.db2.gz JDIGGFAPWSMQER-HSZRJFAPSA-N 1 0 381.564 3.919 20 30 GHEDRO C=C(C)C(=O)OCCNC(=O)CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001183982623 912942107 /nfs/dbraw/zinc/94/21/07/912942107.db2.gz VPVCSHXGQDLWKY-UHFFFAOYSA-N 1 0 394.515 3.705 20 30 GHEDRO C=CCCCCCCCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000807591846 885583707 /nfs/dbraw/zinc/58/37/07/885583707.db2.gz ISEXEOVLTPISDY-SFTDATJTSA-N 1 0 378.605 3.571 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000286907001 912966820 /nfs/dbraw/zinc/96/68/20/912966820.db2.gz FQBRUOWUGUUCGN-WIYYLYMNSA-N 1 0 396.535 3.591 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000537591957 885818048 /nfs/dbraw/zinc/81/80/48/885818048.db2.gz KVQPHLCMPSDAIP-ZEQKJWHPSA-N 1 0 399.538 3.955 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CCC[N@@H+](Cc3ccccc3C)CC2)c1=S ZINC000915209221 886030884 /nfs/dbraw/zinc/03/08/84/886030884.db2.gz UCMVMKXJZHZDQF-UHFFFAOYSA-N 1 0 397.592 3.951 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C(C)(C)C#N)cc3)CC2)c1 ZINC000055344017 886056916 /nfs/dbraw/zinc/05/69/16/886056916.db2.gz JBNCGWALMDDFDA-UHFFFAOYSA-N 1 0 376.504 3.806 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(OCC#N)cc2)ccc1OCC(F)(F)F ZINC000915227658 886069072 /nfs/dbraw/zinc/06/90/72/886069072.db2.gz JHIATNYMTUKSBR-UHFFFAOYSA-N 1 0 380.366 3.828 20 30 GHEDRO N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CCO2)c1 ZINC000762385218 886130770 /nfs/dbraw/zinc/13/07/70/886130770.db2.gz RNVVOECIHMZVIT-GOTSBHOMSA-N 1 0 389.499 3.513 20 30 GHEDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000130676405 886143788 /nfs/dbraw/zinc/14/37/88/886143788.db2.gz DXULTCUWXUWPOR-OAHLLOKOSA-N 1 0 399.564 3.743 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)c1 ZINC000862138202 886149927 /nfs/dbraw/zinc/14/99/27/886149927.db2.gz WWOJVXPGWXHLSS-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO CCc1cccc2[nH]c(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc21 ZINC000862138177 886150469 /nfs/dbraw/zinc/15/04/69/886150469.db2.gz WRRQQGDKDUYCGI-UHFFFAOYSA-N 1 0 386.499 3.996 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1OC ZINC000919699223 886162268 /nfs/dbraw/zinc/16/22/68/886162268.db2.gz LMOHOMQAXGPRHX-NTMALXAHSA-N 1 0 386.536 3.852 20 30 GHEDRO C[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000131588584 886308862 /nfs/dbraw/zinc/30/88/62/886308862.db2.gz WEFRVYRUEDHPDE-AVRDEDQJSA-N 1 0 376.504 3.777 20 30 GHEDRO C[C@H](Oc1cccc(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499052105 886499471 /nfs/dbraw/zinc/49/94/71/886499471.db2.gz CEWCBARRBDCCDE-INIZCTEOSA-N 1 0 385.895 3.569 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000925275071 886537732 /nfs/dbraw/zinc/53/77/32/886537732.db2.gz HVXPAQIKBTWMTQ-DLBZAZTESA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000862692182 886545074 /nfs/dbraw/zinc/54/50/74/886545074.db2.gz ZUONINZHRXVXRM-QHCPKHFHSA-N 1 0 391.515 3.500 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000862794685 886618767 /nfs/dbraw/zinc/61/87/67/886618767.db2.gz GHJJGFXSRBXZIH-AWEZNQCLSA-N 1 0 388.002 3.687 20 30 GHEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808706912 886689171 /nfs/dbraw/zinc/68/91/71/886689171.db2.gz BCXGOBRWUGNXLF-FQEVSTJZSA-N 1 0 378.472 3.842 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001131539545 887044284 /nfs/dbraw/zinc/04/42/84/887044284.db2.gz SMHWWEKNCMJIAA-HXUWFJFHSA-N 1 0 391.515 3.679 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001184310007 913121217 /nfs/dbraw/zinc/12/12/17/913121217.db2.gz GJHDLWNYRFENCL-UHFFFAOYSA-N 1 0 390.499 3.538 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001184313674 913121404 /nfs/dbraw/zinc/12/14/04/913121404.db2.gz QWPFEPBUWSYFQZ-QZNJRLLKSA-N 1 0 398.547 3.931 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(-c3ccc(SC)cc3)ns2)CC1 ZINC000809927690 887979462 /nfs/dbraw/zinc/97/94/62/887979462.db2.gz HOKNSXYZOGVTLT-UHFFFAOYSA-N 1 0 389.550 3.699 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000810008468 888074422 /nfs/dbraw/zinc/07/44/22/888074422.db2.gz IBFDQJBWHHFSKJ-VJBMBRPKSA-N 1 0 390.531 3.665 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1C ZINC000810009305 888076100 /nfs/dbraw/zinc/07/61/00/888076100.db2.gz WLOIHVVENGBOTM-LADGPHEKSA-N 1 0 390.531 3.585 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3Br)CC2)nc1 ZINC000136028639 888273494 /nfs/dbraw/zinc/27/34/94/888273494.db2.gz KLHKSQMUBNBBMI-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508886070 888391091 /nfs/dbraw/zinc/39/10/91/888391091.db2.gz WRCDSQRTGVZAHD-UHFFFAOYSA-N 1 0 398.514 3.633 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)nn1 ZINC000865685104 888514914 /nfs/dbraw/zinc/51/49/14/888514914.db2.gz CBHKZYNVVJPBIU-KRWDZBQOSA-N 1 0 397.523 3.873 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000237590693 888692469 /nfs/dbraw/zinc/69/24/69/888692469.db2.gz WVXXBWHSRUQUTJ-MRXNPFEDSA-N 1 0 381.451 3.511 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000536637651 888693804 /nfs/dbraw/zinc/69/38/04/888693804.db2.gz JJNUAQUTICNGNC-DDJHWDJXSA-N 1 0 389.543 3.617 20 30 GHEDRO Cc1cccnc1[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C ZINC000120922566 888758410 /nfs/dbraw/zinc/75/84/10/888758410.db2.gz FSNXGRNNBZDRCB-DYESRHJHSA-N 1 0 385.471 3.914 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000032762499 888803873 /nfs/dbraw/zinc/80/38/73/888803873.db2.gz OIRQKBOKYLFARJ-QGZVFWFLSA-N 1 0 386.517 3.888 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNCc2ccccc2N(C)C)c1C ZINC000794948967 889041997 /nfs/dbraw/zinc/04/19/97/889041997.db2.gz HYVVUKJREPIBHV-QFIPXVFZSA-N 1 0 381.568 3.779 20 30 GHEDRO Cc1noc(C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccccc2)n1 ZINC000287387401 913306260 /nfs/dbraw/zinc/30/62/60/913306260.db2.gz IMXPNEBVFHYTJT-QFIPXVFZSA-N 1 0 387.487 3.792 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000154045751 889099673 /nfs/dbraw/zinc/09/96/73/889099673.db2.gz GUEJVALZGLFUKA-MRXNPFEDSA-N 1 0 397.441 3.580 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)c1 ZINC000532929722 889303942 /nfs/dbraw/zinc/30/39/42/889303942.db2.gz SCFFTVXRMGGOED-UHFFFAOYSA-N 1 0 378.476 3.734 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C(F)(F)F)c1 ZINC000868210773 889353935 /nfs/dbraw/zinc/35/39/35/889353935.db2.gz QPPVMESEOIFZHG-MSOLQXFVSA-N 1 0 394.441 3.583 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532935206 889377327 /nfs/dbraw/zinc/37/73/27/889377327.db2.gz SGXRGFHTWNWVFZ-UHFFFAOYSA-N 1 0 398.304 3.688 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)NCC1CCC(C#N)CC1)Cc1ccccc12 ZINC000868580104 889511378 /nfs/dbraw/zinc/51/13/78/889511378.db2.gz QULPAFKQEQVICP-UHFFFAOYSA-N 1 0 380.536 3.505 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1OC ZINC000124161540 889527307 /nfs/dbraw/zinc/52/73/07/889527307.db2.gz UZWSQBDMGWGLAE-LJQANCHMSA-N 1 0 396.535 3.958 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465536462 889542210 /nfs/dbraw/zinc/54/22/10/889542210.db2.gz AOIOYXMPKZYJRI-KIZRIRGWSA-N 1 0 382.552 3.836 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1C#N ZINC000124416127 889624891 /nfs/dbraw/zinc/62/48/91/889624891.db2.gz YDKJNYPIYZXLLA-OAHLLOKOSA-N 1 0 386.565 3.650 20 30 GHEDRO N#Cc1cnccc1C[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001170639492 889830732 /nfs/dbraw/zinc/83/07/32/889830732.db2.gz PWQMNVNRUKWFES-NFBKMPQASA-N 1 0 389.430 3.633 20 30 GHEDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000533255031 890103239 /nfs/dbraw/zinc/10/32/39/890103239.db2.gz UJHIALXNTZNWBT-UHFFFAOYSA-N 1 0 396.447 3.572 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001170651478 890179067 /nfs/dbraw/zinc/17/90/67/890179067.db2.gz WELQKIZEFDABCB-JBYIUTFZSA-N 1 0 399.498 3.949 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001133096869 890183859 /nfs/dbraw/zinc/18/38/59/890183859.db2.gz HILQPLMFSMMBSS-QRFRQXIXSA-N 1 0 378.438 3.749 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001133096870 890183902 /nfs/dbraw/zinc/18/39/02/890183902.db2.gz HILQPLMFSMMBSS-YVWKXTFCSA-N 1 0 378.438 3.749 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)c1C#N ZINC000533294696 890215102 /nfs/dbraw/zinc/21/51/02/890215102.db2.gz BPNRJXBUGXEIHE-LJQANCHMSA-N 1 0 399.583 3.694 20 30 GHEDRO C#C[C@@H](NC(=O)NCC[N@@H+](CC)CCC(F)(F)F)c1ccc(Cl)cc1F ZINC000812204801 890428815 /nfs/dbraw/zinc/42/88/15/890428815.db2.gz KMZNGEJQHSXTII-OAHLLOKOSA-N 1 0 393.812 3.727 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000105652266 890457594 /nfs/dbraw/zinc/45/75/94/890457594.db2.gz GKQAXIBJJZJPHD-GOSISDBHSA-N 1 0 375.472 3.817 20 30 GHEDRO CCCc1c(NC(=O)N2CC[NH+]([C@H](C)CC)CC2)cnn1-c1cccc(C#N)c1 ZINC000455232237 890564049 /nfs/dbraw/zinc/56/40/49/890564049.db2.gz SIJQHNZDXRRTDM-QGZVFWFLSA-N 1 0 394.523 3.644 20 30 GHEDRO CC(=NNC(=S)Nc1cccc(C)c1C)c1cccc(N2CCOCC2)c1 ZINC000812383120 890592626 /nfs/dbraw/zinc/59/26/26/890592626.db2.gz ZKDBAHILRDUXKD-UHFFFAOYSA-N 1 0 382.533 3.851 20 30 GHEDRO CC(=NNC(=S)Nc1ccc(C)cc1C)c1cccc(N2CCOCC2)c1 ZINC000812382627 890593891 /nfs/dbraw/zinc/59/38/91/890593891.db2.gz PSXQYKQDSIKMDD-UHFFFAOYSA-N 1 0 382.533 3.851 20 30 GHEDRO CCCc1c(NC(=O)N2CC[N@H+](CC)C[C@@H]2CC)cnn1-c1cccc(C#N)c1 ZINC000455224596 890595757 /nfs/dbraw/zinc/59/57/57/890595757.db2.gz IXRDBNZOCIHNMT-SFHVURJKSA-N 1 0 394.523 3.644 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000455323893 890785239 /nfs/dbraw/zinc/78/52/39/890785239.db2.gz TUIFMAVOBIZEFV-HXUWFJFHSA-N 1 0 379.504 3.982 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000812863856 891080440 /nfs/dbraw/zinc/08/04/40/891080440.db2.gz MNFFCYRWHCQXGP-QHCPKHFHSA-N 1 0 380.488 3.781 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812871629 891087158 /nfs/dbraw/zinc/08/71/58/891087158.db2.gz JCTAQUQYHVGBLZ-JOCHJYFZSA-N 1 0 379.479 3.506 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[NH+]2CCCC2)cc1 ZINC000455536269 891102929 /nfs/dbraw/zinc/10/29/29/891102929.db2.gz IDDAWMISRRVDPG-OAQYLSRUSA-N 1 0 380.467 3.642 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813030585 891228800 /nfs/dbraw/zinc/22/88/00/891228800.db2.gz NAIMCJJLWBAESY-YADHBBJMSA-N 1 0 395.478 3.645 20 30 GHEDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000247325569 891366585 /nfs/dbraw/zinc/36/65/85/891366585.db2.gz IOTDVBBUGURFSS-MBOZVWFJSA-N 1 0 384.524 3.593 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H](c2nccs2)C1 ZINC000249889142 891528363 /nfs/dbraw/zinc/52/83/63/891528363.db2.gz QACIGXLZHYADTE-DLBZAZTESA-N 1 0 398.532 3.666 20 30 GHEDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](c2ccccc2)C1 ZINC000497418031 891537832 /nfs/dbraw/zinc/53/78/32/891537832.db2.gz PNGDGGZSDMVTDH-FGZHOGPDSA-N 1 0 398.466 3.573 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873310096 891575483 /nfs/dbraw/zinc/57/54/83/891575483.db2.gz NDUPQAROPYKDII-YJBOKZPZSA-N 1 0 380.517 3.917 20 30 GHEDRO Cc1ccc(N2CCCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000917211589 891629709 /nfs/dbraw/zinc/62/97/09/891629709.db2.gz AIJABDQESFVVJR-UHFFFAOYSA-N 1 0 382.895 3.671 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)s1 ZINC000128413101 891875687 /nfs/dbraw/zinc/87/56/87/891875687.db2.gz MKIBTOLSGFJENO-UHFFFAOYSA-N 1 0 388.562 3.851 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)N2CCCCC2)cc1OC ZINC000917397409 891895070 /nfs/dbraw/zinc/89/50/70/891895070.db2.gz OUCZCXFXMBPKRO-OAHLLOKOSA-N 1 0 397.357 3.987 20 30 GHEDRO N#CCCn1cc(CNCc2nnc(-c3ccccc3)[nH]2)c(-c2ccccc2)n1 ZINC000774814815 913621538 /nfs/dbraw/zinc/62/15/38/913621538.db2.gz MWWSQKGBVCVRNL-UHFFFAOYSA-N 1 0 383.459 3.539 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@](C)(C[NH3+])C2)cc1OCC ZINC000261715971 892085932 /nfs/dbraw/zinc/08/59/32/892085932.db2.gz IYHVSHIKVQUWAF-SFHVURJKSA-N 1 0 383.330 3.583 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccccc1SCc1csc(C)n1 ZINC000729809326 892222831 /nfs/dbraw/zinc/22/28/31/892222831.db2.gz LBWSUSMMGYHIOS-KRWDZBQOSA-N 1 0 386.542 3.998 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCSc1ccc(Br)cc1 ZINC000729811902 892227406 /nfs/dbraw/zinc/22/74/06/892227406.db2.gz FZPGNAXCCQVSJE-HNNXBMFYSA-N 1 0 382.323 3.572 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000874839067 892346464 /nfs/dbraw/zinc/34/64/64/892346464.db2.gz TUSYDRSABWUOAI-FCHUYYIVSA-N 1 0 375.472 3.854 20 30 GHEDRO CC(C)(O)C[NH+]1CCC(N=Nc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000814213293 892398433 /nfs/dbraw/zinc/39/84/33/892398433.db2.gz HCIAUAICODQLJM-UHFFFAOYSA-N 1 0 395.532 3.993 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC001137084469 892399575 /nfs/dbraw/zinc/39/95/75/892399575.db2.gz OHKXTDCHEVSQDD-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO C=CCc1ccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OC)c1 ZINC000875044536 892428198 /nfs/dbraw/zinc/42/81/98/892428198.db2.gz KLMKSXYSGVAFPW-VQTJNVASSA-N 1 0 397.519 3.577 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCCSC[C@@H]2c2ccccc2OC)CC1 ZINC000875248569 892509541 /nfs/dbraw/zinc/50/95/41/892509541.db2.gz QZDBSFXPZCDTGP-LJQANCHMSA-N 1 0 389.565 3.535 20 30 GHEDRO C=CC[C@@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1ccncc1 ZINC000875299514 892535353 /nfs/dbraw/zinc/53/53/53/892535353.db2.gz MPWDWZSHBQTHCX-OAQYLSRUSA-N 1 0 378.520 3.662 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)N[C@H](C)CC)cc1 ZINC000154527768 892573485 /nfs/dbraw/zinc/57/34/85/892573485.db2.gz HLOOSDODLJOCEC-CQSZACIVSA-O 1 0 386.497 3.772 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000271801675 892877710 /nfs/dbraw/zinc/87/77/10/892877710.db2.gz SFQCENVMHGWDNH-GOSISDBHSA-N 1 0 397.519 3.744 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)CC[C@@H]2C1 ZINC000814674769 893053706 /nfs/dbraw/zinc/05/37/06/893053706.db2.gz CGXWAPSEPGHDJG-BGYRXZFFSA-N 1 0 399.535 3.906 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000814677716 893062886 /nfs/dbraw/zinc/06/28/86/893062886.db2.gz KLRXZBTZJAXCLY-FXAWDEMLSA-N 1 0 385.305 3.919 20 30 GHEDRO C[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562924447 893170744 /nfs/dbraw/zinc/17/07/44/893170744.db2.gz IUKUNLOJBUDWJF-ZBFHGGJFSA-N 1 0 383.883 3.639 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC001170769399 893240840 /nfs/dbraw/zinc/24/08/40/893240840.db2.gz QTUCQSWOHZGXCT-BJKOFHAPSA-N 1 0 385.467 3.951 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000876664250 893280441 /nfs/dbraw/zinc/28/04/41/893280441.db2.gz QQCOEMRWMIWUBE-XHDPSFHLSA-N 1 0 379.913 3.774 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)CC1 ZINC000455778355 893302670 /nfs/dbraw/zinc/30/26/70/893302670.db2.gz UTROEIVCOYKXLD-KRWDZBQOSA-N 1 0 384.524 3.931 20 30 GHEDRO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815008844 893331186 /nfs/dbraw/zinc/33/11/86/893331186.db2.gz PRNOPZNTCDEJBL-QHCPKHFHSA-N 1 0 375.447 3.706 20 30 GHEDRO CC(C)Oc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000918225446 893399809 /nfs/dbraw/zinc/39/98/09/893399809.db2.gz LDVOBXOYGHJFMY-UHFFFAOYSA-N 1 0 394.519 3.619 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459398718 893425591 /nfs/dbraw/zinc/42/55/91/893425591.db2.gz FVVRYDCZJXQDIV-IAGOWNOFSA-N 1 0 378.476 3.713 20 30 GHEDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000877118784 893494727 /nfs/dbraw/zinc/49/47/27/893494727.db2.gz MTWZHQASDYQVDA-WTXGUHSCSA-N 1 0 379.441 3.956 20 30 GHEDRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1Br ZINC000877482656 893638918 /nfs/dbraw/zinc/63/89/18/893638918.db2.gz LPGOSPZSDBXPHP-SFHVURJKSA-N 1 0 385.261 3.884 20 30 GHEDRO CCc1nccc(C)c1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000934480378 893664994 /nfs/dbraw/zinc/66/49/94/893664994.db2.gz HYUQOIFQTLJFNU-UHFFFAOYSA-N 1 0 377.492 3.610 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]Cc3cccc(C#N)n3)cccc21 ZINC000877531802 893668273 /nfs/dbraw/zinc/66/82/73/893668273.db2.gz CHWDOBZBFVBTOI-UHFFFAOYSA-N 1 0 378.476 3.931 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2cccc(OCc3ccccc3)c2)CC1 ZINC000498231513 893688142 /nfs/dbraw/zinc/68/81/42/893688142.db2.gz LQNQBJYZVJEMDS-UHFFFAOYSA-N 1 0 393.531 3.758 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(C#N)cnc3Cl)C[C@@H]2C1 ZINC000877586027 893703599 /nfs/dbraw/zinc/70/35/99/893703599.db2.gz ZSIWYIJYCFANLL-USXIJHARSA-N 1 0 390.915 3.732 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877704131 893773604 /nfs/dbraw/zinc/77/36/04/893773604.db2.gz DLTMCHAPUGFBTF-UHFFFAOYSA-N 1 0 396.491 3.555 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1 ZINC000815370069 893779803 /nfs/dbraw/zinc/77/98/03/893779803.db2.gz WTNPDOIYGHDZHJ-UHFFFAOYSA-N 1 0 393.506 3.909 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 ZINC001185339949 913823389 /nfs/dbraw/zinc/82/33/89/913823389.db2.gz XTVWFICOIBOJPX-UHFFFAOYSA-N 1 0 388.393 3.762 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@H](c3cccc(OC(F)(F)F)c3)C3CC3)cnc12 ZINC000563714071 894095934 /nfs/dbraw/zinc/09/59/34/894095934.db2.gz NZIGBUSXEYAXRG-KRWDZBQOSA-N 1 0 387.365 3.740 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563713399 894096681 /nfs/dbraw/zinc/09/66/81/894096681.db2.gz HPOZQERHHCNZSZ-LJQANCHMSA-N 1 0 395.341 3.598 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC1CC[NH+](CC)CC1 ZINC000459713453 894137737 /nfs/dbraw/zinc/13/77/37/894137737.db2.gz NXOBEBMVAJYPCQ-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000537053240 894273496 /nfs/dbraw/zinc/27/34/96/894273496.db2.gz IHFRCEDPQBTKTJ-IEGUWTFLSA-N 1 0 394.519 3.754 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC[C@H]21 ZINC000878432406 894285166 /nfs/dbraw/zinc/28/51/66/894285166.db2.gz DHNDZCJYFBFWMY-YLJYHZDGSA-N 1 0 376.460 3.908 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000878437272 894289947 /nfs/dbraw/zinc/28/99/47/894289947.db2.gz SQEZVJIWXXCEEM-UHFFFAOYSA-N 1 0 396.535 3.593 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)c3ncc(C#N)cc3C)CCC[N@@H+]2C)cc1 ZINC000815952248 894355111 /nfs/dbraw/zinc/35/51/11/894355111.db2.gz FZNKPWRNWZZHOY-NQIIRXRSSA-N 1 0 379.460 3.510 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC2(CC1)OCCc1ccccc12)c1ccccc1 ZINC000878695464 894517292 /nfs/dbraw/zinc/51/72/92/894517292.db2.gz KOGNRJQMGHEMEK-XMMPIXPASA-N 1 0 388.511 3.991 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000878695315 894517378 /nfs/dbraw/zinc/51/73/78/894517378.db2.gz RDCKTYZOZBJTFJ-HXUWFJFHSA-N 1 0 395.469 3.776 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC(CC#N)CC2)CC1 ZINC000564173618 894683940 /nfs/dbraw/zinc/68/39/40/894683940.db2.gz WBOKOEBLJVMHCO-UHFFFAOYSA-N 1 0 390.915 3.971 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816455681 894820152 /nfs/dbraw/zinc/82/01/52/894820152.db2.gz UXFOKFJDKPEGIG-FGSXEWAUSA-N 1 0 378.472 3.779 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816455682 894820570 /nfs/dbraw/zinc/82/05/70/894820570.db2.gz UXFOKFJDKPEGIG-KGVIQGDOSA-N 1 0 378.472 3.779 20 30 GHEDRO Cc1cc(NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)nn1CCC#N ZINC000879077775 894823913 /nfs/dbraw/zinc/82/39/13/894823913.db2.gz NBPBRJBQKZQPMM-UHFFFAOYSA-N 1 0 394.523 3.529 20 30 GHEDRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc(C#N)n(C)c2)cc1 ZINC000564315786 894855138 /nfs/dbraw/zinc/85/51/38/894855138.db2.gz WIHYHUSWGCMGSP-UHFFFAOYSA-N 1 0 377.492 3.584 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879408761 895037999 /nfs/dbraw/zinc/03/79/99/895037999.db2.gz YVBBDYKKILSNOX-MAUKXSAKSA-N 1 0 375.538 3.957 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000879755686 895274197 /nfs/dbraw/zinc/27/41/97/895274197.db2.gz OARAPBAERGEPIV-QZTJIDSGSA-N 1 0 377.529 3.561 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2[nH]nc3c2cccc3C)CC1 ZINC001137149378 895470216 /nfs/dbraw/zinc/47/02/16/895470216.db2.gz RDDQORFVHVFPKB-UHFFFAOYSA-N 1 0 376.460 3.795 20 30 GHEDRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(Cc1ccc(C#N)o1)C(C)C ZINC000880215931 895576112 /nfs/dbraw/zinc/57/61/12/895576112.db2.gz KNOQXMOHSYCZAL-ZDUSSCGKSA-N 1 0 389.477 3.545 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000880928962 896007235 /nfs/dbraw/zinc/00/72/35/896007235.db2.gz ZLEKBDYLXXTUQS-NVXWUHKLSA-N 1 0 382.430 3.535 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C(F)(F)F)c1 ZINC000880930284 896008586 /nfs/dbraw/zinc/00/85/86/896008586.db2.gz SYGPVNRNKCGLCY-FUHWJXTLSA-N 1 0 394.441 3.679 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000880932075 896009960 /nfs/dbraw/zinc/00/99/60/896009960.db2.gz LKMFKHLQZPKJRZ-GOSISDBHSA-N 1 0 396.457 3.925 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000566221773 896183763 /nfs/dbraw/zinc/18/37/63/896183763.db2.gz WCRUSAXRFDQRLX-UHFFFAOYSA-N 1 0 386.569 3.598 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000778536278 896292421 /nfs/dbraw/zinc/29/24/21/896292421.db2.gz FVPLHVZAHXEOOC-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C=C(Br)C[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000818978940 896298795 /nfs/dbraw/zinc/29/87/95/896298795.db2.gz CTFJEGMERRRNQE-QUCCMNQESA-N 1 0 390.321 3.960 20 30 GHEDRO CC1CCN(c2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)CC1 ZINC000819038833 896363758 /nfs/dbraw/zinc/36/37/58/896363758.db2.gz JGXRMASKRWCYIV-HSZRJFAPSA-N 1 0 393.531 3.518 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000819110299 896416580 /nfs/dbraw/zinc/41/65/80/896416580.db2.gz AZGGIUNHMUVMIA-ZIAGYGMSSA-N 1 0 385.986 3.582 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000819166329 896441226 /nfs/dbraw/zinc/44/12/26/896441226.db2.gz UDPIKEVSGVYXQU-KKSFZXQISA-N 1 0 395.503 3.967 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(-c2cccnc2)n1 ZINC000289183989 914074392 /nfs/dbraw/zinc/07/43/92/914074392.db2.gz AKLNEHIYENSFJW-UHFFFAOYSA-N 1 0 391.450 3.536 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3Cl)CC2)nc1 ZINC000819200266 896472103 /nfs/dbraw/zinc/47/21/03/896472103.db2.gz MGZVNGIAJQUTRE-LADRWXRNSA-N 1 0 389.858 3.759 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819367073 896642275 /nfs/dbraw/zinc/64/22/75/896642275.db2.gz CVWRFPWYKONKQT-NHCUHLMSSA-N 1 0 388.552 3.771 20 30 GHEDRO C[C@@](CO)([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000796278526 914096923 /nfs/dbraw/zinc/09/69/23/914096923.db2.gz NHGKVCJYIUEHGB-IBGZPJMESA-N 1 0 389.293 3.587 20 30 GHEDRO Cc1cc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)ccc1C[NH+](C)C ZINC000819560165 896847920 /nfs/dbraw/zinc/84/79/20/896847920.db2.gz BVBXIHQDEBVFIZ-SFHVURJKSA-N 1 0 388.512 3.582 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000778579268 896990308 /nfs/dbraw/zinc/99/03/08/896990308.db2.gz APZJMCBNWGVTHA-WBVHZDCISA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000778585711 897135805 /nfs/dbraw/zinc/13/58/05/897135805.db2.gz WGLSDVGAPUZECF-NVXWUHKLSA-N 1 0 390.524 3.864 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000131181916 897350258 /nfs/dbraw/zinc/35/02/58/897350258.db2.gz HSBXEMCOUGUJJF-LJQANCHMSA-N 1 0 375.451 3.786 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)[C@@H]1CCCO1 ZINC000883220923 897381370 /nfs/dbraw/zinc/38/13/70/897381370.db2.gz RCVAVPPLPNIMBQ-SXWKCWPCSA-N 1 0 397.519 3.515 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@H](C)CCC[NH+](CC)CC)CCCN1C(=O)OC(C)(C)C ZINC001136345912 897383011 /nfs/dbraw/zinc/38/30/11/897383011.db2.gz OSKMYRNFFFLDNO-GCJKJVERSA-N 1 0 395.588 3.959 20 30 GHEDRO C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccc(Cl)cc1 ZINC000820553830 897390624 /nfs/dbraw/zinc/39/06/24/897390624.db2.gz WPWNMZRHTQJLOG-SFHVURJKSA-N 1 0 375.925 3.849 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001136376013 897520823 /nfs/dbraw/zinc/52/08/23/897520823.db2.gz MBVCDOGGBDJMDQ-QHCPKHFHSA-N 1 0 375.516 3.787 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C/SCc3ccco3)CC2)cc1 ZINC000131906463 897605065 /nfs/dbraw/zinc/60/50/65/897605065.db2.gz HFFHQOMEEJCYOQ-RIYZIHGNSA-N 1 0 381.501 3.633 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2F)CC1 ZINC000102940233 898051124 /nfs/dbraw/zinc/05/11/24/898051124.db2.gz MNWAVWZHPHPJMX-UHFFFAOYSA-N 1 0 381.455 3.872 20 30 GHEDRO CC(C)CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C1CC1 ZINC000568992335 898261927 /nfs/dbraw/zinc/26/19/27/898261927.db2.gz FDBHPUILOARRSF-UHFFFAOYSA-N 1 0 392.551 3.786 20 30 GHEDRO CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000569009309 898271533 /nfs/dbraw/zinc/27/15/33/898271533.db2.gz UPUDLBUABJKCPZ-ROUUACIJSA-N 1 0 378.438 3.684 20 30 GHEDRO C=CCC(C)(C)C[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000569010831 898274344 /nfs/dbraw/zinc/27/43/44/898274344.db2.gz NNCSVHVXLXJNLK-IBGZPJMESA-N 1 0 377.960 3.770 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000569225954 898445187 /nfs/dbraw/zinc/44/51/87/898445187.db2.gz RJLNWLNBAKBEBN-AWEZNQCLSA-N 1 0 378.354 3.852 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](CCc3c(Cl)cccc3Cl)CC2)C1=O ZINC001276330549 914258298 /nfs/dbraw/zinc/25/82/98/914258298.db2.gz BEXZLDXWIVPNEQ-FQEVSTJZSA-N 1 0 379.331 3.874 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)c(F)c1 ZINC000289605464 914260010 /nfs/dbraw/zinc/26/00/10/914260010.db2.gz KYRFGNUXBRXYOD-UHFFFAOYSA-N 1 0 380.467 3.736 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000331421909 898877849 /nfs/dbraw/zinc/87/78/49/898877849.db2.gz LSLJJBRXSMZJIO-AYWYSENESA-N 1 0 383.536 3.658 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c(-c2ccccc2)n1 ZINC000113334618 898986958 /nfs/dbraw/zinc/98/69/58/898986958.db2.gz AZYCHDCOWIVNLM-UHFFFAOYSA-N 1 0 388.471 3.915 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114320360 899077998 /nfs/dbraw/zinc/07/79/98/899077998.db2.gz KWVLLMQPYKFRPW-UHFFFAOYSA-N 1 0 386.883 3.835 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115845097 899227285 /nfs/dbraw/zinc/22/72/85/899227285.db2.gz WKGDYEKSRYGYRC-UHFFFAOYSA-N 1 0 380.467 3.657 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1Cc3ccc(O)cc3C3(CC3)C1)CCC2 ZINC000570331380 899267272 /nfs/dbraw/zinc/26/72/72/899267272.db2.gz DKBOEZZSZBVUHG-UHFFFAOYSA-N 1 0 393.512 3.690 20 30 GHEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000118809080 899473792 /nfs/dbraw/zinc/47/37/92/899473792.db2.gz WBYOVHAGHMECCO-LJQANCHMSA-N 1 0 392.503 3.747 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000570859131 899646316 /nfs/dbraw/zinc/64/63/16/899646316.db2.gz YARPOGKQDIIPOR-WMQCIHAUSA-N 1 0 383.561 3.686 20 30 GHEDRO C=CCOc1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000119784883 899683621 /nfs/dbraw/zinc/68/36/21/899683621.db2.gz LMSAPBHSPWGSAW-KRWDZBQOSA-N 1 0 380.492 3.994 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Sc3ccc(F)cc3)cc1)C2 ZINC000884317864 899778737 /nfs/dbraw/zinc/77/87/37/899778737.db2.gz FVXNAUXNWWSYBD-JQHMZKTJSA-N 1 0 395.503 3.732 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccc(Cl)cn4)C3)C2)c1 ZINC001136929280 899787295 /nfs/dbraw/zinc/78/72/95/899787295.db2.gz GUZPGRSQTXGXSW-QFIPXVFZSA-N 1 0 396.922 3.726 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1Nc1ccc(F)cc1F)C2 ZINC000884324883 899800372 /nfs/dbraw/zinc/80/03/72/899800372.db2.gz CIJDHJIXQHNKBW-YZGUTLMUSA-N 1 0 382.414 3.786 20 30 GHEDRO C=C(C)CC[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000824743780 899802745 /nfs/dbraw/zinc/80/27/45/899802745.db2.gz LWDZDBCEUCOFSA-UHFFFAOYSA-N 1 0 392.384 3.642 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000120535444 899837753 /nfs/dbraw/zinc/83/77/53/899837753.db2.gz VCWNESSVPBSNMA-MRXNPFEDSA-N 1 0 375.538 3.768 20 30 GHEDRO O=C(N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)CC[C@@H]2C1)C(F)(F)F ZINC000824828228 899849324 /nfs/dbraw/zinc/84/93/24/899849324.db2.gz MBUPKPJBKVCNLV-PWSUYJOCSA-N 1 0 398.322 3.687 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000824886649 899884589 /nfs/dbraw/zinc/88/45/89/899884589.db2.gz GYXFCMMTBLEVQB-MSOLQXFVSA-N 1 0 391.537 3.514 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3cccc(OCC#N)c3)cc2)CC1 ZINC000134327084 899960924 /nfs/dbraw/zinc/96/09/24/899960924.db2.gz DLXCIWCLAVCBEJ-UHFFFAOYSA-N 1 0 391.515 3.680 20 30 GHEDRO Cn1c2cc(Cl)ccc2nc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000571841771 899984657 /nfs/dbraw/zinc/98/46/57/899984657.db2.gz NMRFQAIHFDZLRS-UHFFFAOYSA-N 1 0 381.911 3.662 20 30 GHEDRO C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884417547 900068825 /nfs/dbraw/zinc/06/88/25/900068825.db2.gz KNFSTYREOLSQPT-NJDJKUROSA-N 1 0 387.527 3.903 20 30 GHEDRO CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884429182 900074478 /nfs/dbraw/zinc/07/44/78/900074478.db2.gz AMTYABXVAGQZJT-IPCDKGFNSA-N 1 0 393.453 3.829 20 30 GHEDRO Cc1cc(C#N)cc(N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000884592702 900187513 /nfs/dbraw/zinc/18/75/13/900187513.db2.gz UAXIKVXMBLPMHB-OAQYLSRUSA-N 1 0 376.504 3.887 20 30 GHEDRO CON=Cc1ccc(C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000844043270 900466795 /nfs/dbraw/zinc/46/67/95/900466795.db2.gz ZWQSZIOHJUANLL-QFIPXVFZSA-N 1 0 379.504 3.792 20 30 GHEDRO C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000573529269 900541190 /nfs/dbraw/zinc/54/11/90/900541190.db2.gz SBKSIFLNCWINKI-UHFFFAOYSA-N 1 0 377.410 3.807 20 30 GHEDRO C=CCN1CC[C@]2(CCCN(Cc3c(F)ccc(F)c3Br)C2)C1=O ZINC001143816849 900560833 /nfs/dbraw/zinc/56/08/33/900560833.db2.gz CHNMVPZLNCVWBK-SFHVURJKSA-N 1 0 399.279 3.728 20 30 GHEDRO C[C@@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)OCCc2sccc21 ZINC000289967085 914454855 /nfs/dbraw/zinc/45/48/55/914454855.db2.gz XGJRMGVKSQTVNZ-QFIPXVFZSA-N 1 0 381.545 3.662 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000844193559 900574069 /nfs/dbraw/zinc/57/40/69/900574069.db2.gz HODJQFXXCJJZJW-IYOKUXJLSA-N 1 0 398.466 3.546 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC)c(OC(F)(F)F)c3)C2)C1=O ZINC001143871303 900650777 /nfs/dbraw/zinc/65/07/77/900650777.db2.gz YILRCVVYGGDFNS-LJQANCHMSA-N 1 0 398.425 3.594 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000885974795 900660719 /nfs/dbraw/zinc/66/07/19/900660719.db2.gz CHCITQARHCFRJO-IPMKNSEASA-N 1 0 391.556 3.543 20 30 GHEDRO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)CC1(C#N)CCC1 ZINC000886062516 900698987 /nfs/dbraw/zinc/69/89/87/900698987.db2.gz QQHGJXFUJLQPIK-OAHLLOKOSA-N 1 0 397.441 3.799 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000573946093 900714983 /nfs/dbraw/zinc/71/49/83/900714983.db2.gz PENWGIKWQARUGT-MBSDFSHPSA-N 1 0 389.499 3.836 20 30 GHEDRO Cc1cc(N(C)C)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046030659 900742812 /nfs/dbraw/zinc/74/28/12/900742812.db2.gz OHTLAUMJCHADJV-UHFFFAOYSA-N 1 0 391.519 3.673 20 30 GHEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000844354517 900757811 /nfs/dbraw/zinc/75/78/11/900757811.db2.gz LMCYYYSXMUFNTI-UHFFFAOYSA-N 1 0 387.524 3.715 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000844356870 900761598 /nfs/dbraw/zinc/76/15/98/900761598.db2.gz UHPOSTNXFXUMIU-HBMCJLEFSA-N 1 0 399.535 3.843 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000844359766 900766426 /nfs/dbraw/zinc/76/64/26/900766426.db2.gz PIGHIRIVYCIJIL-NJYVYQBISA-N 1 0 399.535 3.843 20 30 GHEDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C)c1 ZINC000844367238 900777349 /nfs/dbraw/zinc/77/73/49/900777349.db2.gz SVLLTODRBNVPCJ-OAQYLSRUSA-N 1 0 379.504 3.868 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000574352863 900858130 /nfs/dbraw/zinc/85/81/30/900858130.db2.gz OFQKXJTYFIMJOW-KRWDZBQOSA-N 1 0 399.560 3.508 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000157854850 900860566 /nfs/dbraw/zinc/86/05/66/900860566.db2.gz IVALUHATFZJFEL-MSOLQXFVSA-N 1 0 395.478 3.959 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(OC(F)(F)F)ccc3OC)C2)C1=O ZINC001144003869 900873428 /nfs/dbraw/zinc/87/34/28/900873428.db2.gz XXNNJSLQYGKSQZ-LJQANCHMSA-N 1 0 398.425 3.594 20 30 GHEDRO C[C@H]1CC2(C[N@@H+]1C[C@H](O)CC1(C#N)CCC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000886252075 900909393 /nfs/dbraw/zinc/90/93/93/900909393.db2.gz SLJPJAPXABAOJI-ZWKOTPCHSA-N 1 0 391.556 3.543 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc(OC)c1OC ZINC000067120588 901040448 /nfs/dbraw/zinc/04/04/48/901040448.db2.gz TVWAQHBJMNCBSR-MRXNPFEDSA-N 1 0 383.492 3.913 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C2CC[NH+](Cc3cncc(C#N)c3)CC2)CC1 ZINC001144080192 901049047 /nfs/dbraw/zinc/04/90/47/901049047.db2.gz XUPJLJTZQXJAJL-UHFFFAOYSA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401077 901054138 /nfs/dbraw/zinc/05/41/38/901054138.db2.gz DVDWMRDUJRVLJV-QFIPXVFZSA-N 1 0 397.906 3.986 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844688275 901180982 /nfs/dbraw/zinc/18/09/82/901180982.db2.gz NTADSKDOZCBYIW-UHFFFAOYSA-N 1 0 395.890 3.543 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000844714536 901192756 /nfs/dbraw/zinc/19/27/56/901192756.db2.gz AALUHLFBJQGEKP-XUVXKRRUSA-N 1 0 391.515 3.641 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000886688121 901227907 /nfs/dbraw/zinc/22/79/07/901227907.db2.gz KXNVKXAKDSRLCJ-IBGZPJMESA-N 1 0 397.544 3.988 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000047011377 901235759 /nfs/dbraw/zinc/23/57/59/901235759.db2.gz BVJGTIQPXWNEBR-UTKZUKDTSA-N 1 0 379.504 3.798 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc(Br)nc1C)C(C)C ZINC001144197707 901237870 /nfs/dbraw/zinc/23/78/70/901237870.db2.gz KPFWHZOCVGELFW-ZDUSSCGKSA-N 1 0 386.359 3.642 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1)C(C)C ZINC001144204019 901281993 /nfs/dbraw/zinc/28/19/93/901281993.db2.gz HNAHAAPSEKFDQE-XXBNENTESA-N 1 0 390.568 3.869 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080165748 901304162 /nfs/dbraw/zinc/30/41/62/901304162.db2.gz NMGUFHPRXVLNIV-PGRDOPGGSA-N 1 0 376.504 3.753 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnccc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001137232426 901376264 /nfs/dbraw/zinc/37/62/64/901376264.db2.gz PJZKKQWLHKVIIW-KNQAVFIVSA-N 1 0 381.907 3.739 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000575883011 901425018 /nfs/dbraw/zinc/42/50/18/901425018.db2.gz FWQCGTDGDSYGJW-UGSOOPFHSA-N 1 0 399.292 3.562 20 30 GHEDRO CSCCCCCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845105594 901785160 /nfs/dbraw/zinc/78/51/60/901785160.db2.gz YXJPCQRCFYNQAN-UHFFFAOYSA-N 1 0 388.581 3.745 20 30 GHEDRO CN(c1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1)C1CC[NH+](C)CC1 ZINC000124202260 902036286 /nfs/dbraw/zinc/03/62/86/902036286.db2.gz IHVLUWCPCVWYAH-UHFFFAOYSA-N 1 0 384.430 3.619 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000576494425 902055431 /nfs/dbraw/zinc/05/54/31/902055431.db2.gz HAUXNXJXVHJBIY-UWJYYQICSA-N 1 0 379.529 3.571 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000124543925 902081957 /nfs/dbraw/zinc/08/19/57/902081957.db2.gz GGLVIYAOPQMDEH-LAUBAEHRSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001171179029 902122527 /nfs/dbraw/zinc/12/25/27/902122527.db2.gz OIHSFMCEEMGLKK-XLIONFOSSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(c2ncnc3ccccc32)CC1 ZINC001171197880 902378419 /nfs/dbraw/zinc/37/84/19/902378419.db2.gz FAXOETGLONXCIK-SFHVURJKSA-N 1 0 385.515 3.939 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000775029562 914619611 /nfs/dbraw/zinc/61/96/11/914619611.db2.gz PKZNABYEYHXPJR-UHFFFAOYSA-N 1 0 396.288 3.937 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)cc1 ZINC001144572449 902405570 /nfs/dbraw/zinc/40/55/70/902405570.db2.gz ZFOBOQBTNJHFLV-UHFFFAOYSA-N 1 0 387.508 3.978 20 30 GHEDRO C=CCn1c(-c2cccc(OC)c2)nn(CN(C)C[C@@H]2CCCOC2)c1=S ZINC000159027158 902464188 /nfs/dbraw/zinc/46/41/88/902464188.db2.gz DRWVAZKTMRMCEW-INIZCTEOSA-N 1 0 388.537 3.592 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000577159682 902550596 /nfs/dbraw/zinc/55/05/96/902550596.db2.gz NMTURNGCIFNWFN-IFXJQAMLSA-N 1 0 391.500 3.570 20 30 GHEDRO C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005270 902586073 /nfs/dbraw/zinc/58/60/73/902586073.db2.gz BABSWQSXTUYIMK-LJQANCHMSA-N 1 0 399.288 3.762 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001171211265 902647063 /nfs/dbraw/zinc/64/70/63/902647063.db2.gz BWFJKUDDKDQYKV-HOYKHHGWSA-N 1 0 391.490 3.753 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001171210340 902676895 /nfs/dbraw/zinc/67/68/95/902676895.db2.gz SNRTWUMQPIGAEE-XMSQKQJNSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001171211706 902693565 /nfs/dbraw/zinc/69/35/65/902693565.db2.gz GOTFRAMYUGMKQH-VCFYHUQZSA-N 1 0 391.515 3.723 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001171211704 902693972 /nfs/dbraw/zinc/69/39/72/902693972.db2.gz GOTFRAMYUGMKQH-PVERMEFCSA-N 1 0 391.515 3.723 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001171212983 902706680 /nfs/dbraw/zinc/70/66/80/902706680.db2.gz SKLAJTWCXPPVPT-WNOPAQSVSA-N 1 0 391.515 3.834 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213143 902709381 /nfs/dbraw/zinc/70/93/81/902709381.db2.gz VNSDWSCTBAUYQK-UQAQOTMJSA-N 1 0 391.563 3.559 20 30 GHEDRO N#CCCC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000577398784 902739477 /nfs/dbraw/zinc/73/94/77/902739477.db2.gz DGZXNTGFYYXNHO-IBGZPJMESA-N 1 0 375.463 3.686 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(COCc3ccccc3)cc2)CCOCC1 ZINC000600717713 902840134 /nfs/dbraw/zinc/84/01/34/902840134.db2.gz MDWFHGTTXXGTKU-HSZRJFAPSA-N 1 0 394.515 3.564 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H](C)Cc4cccc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001171221540 902854607 /nfs/dbraw/zinc/85/46/07/902854607.db2.gz OSIAYQAEKYNCGA-ZFJSRUIDSA-N 1 0 375.516 3.635 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC/C=C\c2ccc(Br)cc2)CCOCC1 ZINC000600746163 902868668 /nfs/dbraw/zinc/86/86/68/902868668.db2.gz LHXKINYUILMEJG-PFOXWKGBSA-N 1 0 393.325 3.513 20 30 GHEDRO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000577605233 902941507 /nfs/dbraw/zinc/94/15/07/902941507.db2.gz OHGLLVXDTLEFJF-FCJDFRRUSA-N 1 0 388.515 3.646 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000600895979 903062512 /nfs/dbraw/zinc/06/25/12/903062512.db2.gz FFGXFBAOJPZUEE-UHFFFAOYSA-N 1 0 379.504 3.847 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264468840 903114600 /nfs/dbraw/zinc/11/46/00/903114600.db2.gz MUVLTNAJTLKIPT-ZWKOTPCHSA-N 1 0 386.565 3.580 20 30 GHEDRO N#CCOc1ccccc1C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887613450 903146909 /nfs/dbraw/zinc/14/69/09/903146909.db2.gz CVUZFZWJZCRROL-UHFFFAOYSA-N 1 0 389.499 3.816 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1OC ZINC000264765615 903367035 /nfs/dbraw/zinc/36/70/35/903367035.db2.gz UXXHSZBVMQRVLF-UHFFFAOYSA-N 1 0 380.488 3.672 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c(-c2ccncc2)n1 ZINC000601155453 903402341 /nfs/dbraw/zinc/40/23/41/903402341.db2.gz IYQOWFZDDOPYPA-HXUWFJFHSA-N 1 0 379.508 3.688 20 30 GHEDRO C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCC(C)CC1 ZINC000601184744 903439638 /nfs/dbraw/zinc/43/96/38/903439638.db2.gz MYXJRPLUWGUJTH-IBGZPJMESA-N 1 0 376.504 3.723 20 30 GHEDRO N#CC1(Nc2ncnc3[nH]c4c(c32)CCCC4)CC[NH+](Cc2ccccc2)CC1 ZINC001171274387 903465674 /nfs/dbraw/zinc/46/56/74/903465674.db2.gz FBGNLKSTYWQOMC-UHFFFAOYSA-N 1 0 386.503 3.807 20 30 GHEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134199329 903478792 /nfs/dbraw/zinc/47/87/92/903478792.db2.gz AWNPXQMEMGHCDW-FQEVSTJZSA-O 1 0 395.548 3.560 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c(-c2ccccc2)n1 ZINC000264930973 903484493 /nfs/dbraw/zinc/48/44/93/903484493.db2.gz ARLFXJLBFVYGBH-UHFFFAOYSA-N 1 0 386.503 3.749 20 30 GHEDRO CC(=O)Nc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001171278117 903559865 /nfs/dbraw/zinc/55/98/65/903559865.db2.gz UDIGUDLTEZKGLE-UHFFFAOYSA-N 1 0 393.447 3.523 20 30 GHEDRO COc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(NC(C)=O)cc1C ZINC001171282302 903580658 /nfs/dbraw/zinc/58/06/58/903580658.db2.gz HSVRZFVKZSAIFP-UHFFFAOYSA-N 1 0 392.503 3.932 20 30 GHEDRO CN(C(=O)NCc1ccc(CC#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000578234119 903640568 /nfs/dbraw/zinc/64/05/68/903640568.db2.gz MMFIQXUOZJPWPW-JOCHJYFZSA-N 1 0 376.504 3.559 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000772983765 903839069 /nfs/dbraw/zinc/83/90/69/903839069.db2.gz LQVAOYOZMCPSJT-KXBFYZLASA-N 1 0 387.505 3.590 20 30 GHEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NC(C1CC1)C1CC1)[n+]1ccccc1 ZINC000265397056 903863164 /nfs/dbraw/zinc/86/31/64/903863164.db2.gz WONNATKHICFAQA-UHFFFAOYSA-O 1 0 387.475 3.969 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)N3CCC(CCC#N)CC3)CCCCC2)CCO1 ZINC000578526250 903934337 /nfs/dbraw/zinc/93/43/37/903934337.db2.gz ANEKWDBTIAJMSJ-UHFFFAOYSA-N 1 0 390.572 3.525 20 30 GHEDRO C[C@@H]1CN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+](C2CC2)C1 ZINC000578971601 904268418 /nfs/dbraw/zinc/26/84/18/904268418.db2.gz UTTKKSLQJGXJDE-SFHVURJKSA-N 1 0 388.515 3.851 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171394883 904491304 /nfs/dbraw/zinc/49/13/04/904491304.db2.gz VQPKPKKMSJZHBF-NSHDSACASA-N 1 0 378.657 3.832 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000303453702 914818742 /nfs/dbraw/zinc/81/87/42/914818742.db2.gz JIPXGWNMRBLPKH-LJQANCHMSA-N 1 0 393.462 3.798 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@@H]4CCc5c(F)cccc5C4)C3)CC2=O)c1 ZINC001171433309 904618088 /nfs/dbraw/zinc/61/80/88/904618088.db2.gz LKMPTNLSJHBZSO-DVECYGJZSA-N 1 0 389.474 3.684 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)Cc2c(F)cccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000579480564 904638652 /nfs/dbraw/zinc/63/86/52/904638652.db2.gz GOLCGOVNWXSWLP-PKOBYXMFSA-N 1 0 379.479 3.657 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)CC1 ZINC001171534173 904759237 /nfs/dbraw/zinc/75/92/37/904759237.db2.gz SVUYLYSLANHNEI-OAHLLOKOSA-N 1 0 394.437 3.682 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001171544869 904774042 /nfs/dbraw/zinc/77/40/42/904774042.db2.gz GMGLPCNJYDHDIF-FQEVSTJZSA-N 1 0 379.479 3.924 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1C[C@@H](C)N(Cc3ccccc3)C1)C2 ZINC001171748694 904975685 /nfs/dbraw/zinc/97/56/85/904975685.db2.gz GMSLPTYPFXNWJX-GNLZIIPMSA-N 1 0 384.564 3.723 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H]1Cc3cccc(F)c3C1)CC2 ZINC001171794397 905052554 /nfs/dbraw/zinc/05/25/54/905052554.db2.gz AMFPZKGZBVWIBH-SFHVURJKSA-N 1 0 381.495 3.660 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CC[NH+](CC4CCC(F)(F)CC4)CC3)n[nH]2)cc1 ZINC001171804429 905064986 /nfs/dbraw/zinc/06/49/86/905064986.db2.gz BJRGWYFWEIMLTP-UHFFFAOYSA-N 1 0 385.462 3.896 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc(C3=NO[C@@H]4C[NH2+]C[C@H]34)n2)cc1 ZINC001212629851 905075583 /nfs/dbraw/zinc/07/55/83/905075583.db2.gz PCYWLFJCJYNYAV-ZWKOTPCHSA-N 1 0 384.480 3.798 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171922256 905176483 /nfs/dbraw/zinc/17/64/83/905176483.db2.gz XBJWPRQKMYBXBO-UHFFFAOYSA-N 1 0 380.529 3.511 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC(C(=O)OC(C)(C)C)CC1)CCO2 ZINC001171926615 905181703 /nfs/dbraw/zinc/18/17/03/905181703.db2.gz JCGHEVANGLYZHH-MIFVJVCISA-N 1 0 393.568 3.961 20 30 GHEDRO CCOC(=O)C1(C)CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001171944856 905195766 /nfs/dbraw/zinc/19/57/66/905195766.db2.gz ZWFMLFADYSIENG-UHFFFAOYSA-N 1 0 383.536 3.624 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001172305755 905459631 /nfs/dbraw/zinc/45/96/31/905459631.db2.gz FZQYBBZYBWJMOE-DYESRHJHSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001172305770 905460905 /nfs/dbraw/zinc/46/09/05/905460905.db2.gz FZQYBBZYBWJMOE-UWJYYQICSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001172307300 905463594 /nfs/dbraw/zinc/46/35/94/905463594.db2.gz FTOAVCHXQFUIHW-GOSISDBHSA-N 1 0 390.487 3.901 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001172308263 905465009 /nfs/dbraw/zinc/46/50/09/905465009.db2.gz MAQVGQPRLQQNHC-IBGZPJMESA-N 1 0 388.515 3.513 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001172309562 905467619 /nfs/dbraw/zinc/46/76/19/905467619.db2.gz ULONAFIBURAEHX-WMZHIEFXSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)n1cc(Br)ccc1=NCCCC[NH3+] ZINC001172297656 905484518 /nfs/dbraw/zinc/48/45/18/905484518.db2.gz QPXJAHBKSVVFCN-HNNXBMFYSA-N 1 0 387.325 3.566 20 30 GHEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001172350129 905519353 /nfs/dbraw/zinc/51/93/53/905519353.db2.gz JZXGMHMGNWFKRI-LJQANCHMSA-N 1 0 381.586 3.545 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001172356588 905526837 /nfs/dbraw/zinc/52/68/37/905526837.db2.gz XKSIBRLGXPZGID-SIKLNZKXSA-N 1 0 379.589 3.528 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cc(N4CCCC4=O)ccc3F)CC2)cc1 ZINC000777290574 905545537 /nfs/dbraw/zinc/54/55/37/905545537.db2.gz JERKBVFQXQRALQ-UHFFFAOYSA-N 1 0 392.478 3.901 20 30 GHEDRO N#Cc1ccc(C(=[NH2+])N[C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)cc1 ZINC001172514345 905609287 /nfs/dbraw/zinc/60/92/87/905609287.db2.gz HMOOTBLAUYEPPP-FDFHNCONSA-N 1 0 386.499 3.595 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H](C)C2CC2)c(OC)c1 ZINC000801588919 921170732 /nfs/dbraw/zinc/17/07/32/921170732.db2.gz WXHXZTYHNRYOOS-OPAMFIHVSA-N 1 0 380.488 3.910 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1OC ZINC000628129913 905975974 /nfs/dbraw/zinc/97/59/74/905975974.db2.gz AWSIKNMGCWMQJO-GOSISDBHSA-N 1 0 394.943 3.600 20 30 GHEDRO CC(C)(C)OC(=O)CN1CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001172893805 905978831 /nfs/dbraw/zinc/97/88/31/905978831.db2.gz JSDIYXRQNIFFRX-UHFFFAOYSA-N 1 0 382.548 3.556 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000628190880 906003235 /nfs/dbraw/zinc/00/32/35/906003235.db2.gz TVAJWRYTWTWGRI-NZSAHSFTSA-N 1 0 394.943 3.597 20 30 GHEDRO C[NH+](C)CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172972397 906034884 /nfs/dbraw/zinc/03/48/84/906034884.db2.gz YBTSAUMBQAMZBR-AABGKKOBSA-N 1 0 386.540 3.561 20 30 GHEDRO COc1ccccc1CC1(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972731 906036816 /nfs/dbraw/zinc/03/68/16/906036816.db2.gz BMLNGCUKUSXVPH-MOPGFXCFSA-N 1 0 399.535 3.899 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2([C@H]3CCOC(C)(C)C3)CC2)C[C@H]1C#N ZINC001172977543 906043848 /nfs/dbraw/zinc/04/38/48/906043848.db2.gz CNVZLGVSLYKFTP-ULQDDVLXSA-N 1 0 377.529 3.605 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C#N)(c3ccccc3)CC2)C[C@H]1C#N ZINC001172980253 906046078 /nfs/dbraw/zinc/04/60/78/906046078.db2.gz LWMAONAJRYJFIX-UXHICEINSA-N 1 0 394.519 3.835 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC001172981194 906047020 /nfs/dbraw/zinc/04/70/20/906047020.db2.gz KMAJXIWQGSJBLO-XDKFSHSGSA-N 1 0 393.915 3.643 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cn2)C[C@H]1C#N ZINC001172981203 906047252 /nfs/dbraw/zinc/04/72/52/906047252.db2.gz KNPVOVAUTBQFJE-HOTGVXAUSA-N 1 0 398.429 3.524 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2ccc3ccccc3n2)C[C@H]1C#N ZINC001172980761 906047574 /nfs/dbraw/zinc/04/75/74/906047574.db2.gz GCNNJEKVHDSFNS-MOPGFXCFSA-N 1 0 380.492 3.659 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@](CF)(C(F)(F)F)C2)C[C@H]1C#N ZINC001172981229 906047756 /nfs/dbraw/zinc/04/77/56/906047756.db2.gz URKFSOQMMKFNKG-DVOMOZLQSA-N 1 0 379.398 3.502 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)C[C@H]1C#N ZINC001172983470 906050111 /nfs/dbraw/zinc/05/01/11/906050111.db2.gz GCMWIPIYMBNCAC-JENIJYKNSA-N 1 0 389.471 3.570 20 30 GHEDRO N#Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008755 906083576 /nfs/dbraw/zinc/08/35/76/906083576.db2.gz FMVCRXCIIKOLKE-HXUWFJFHSA-N 1 0 398.413 3.991 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(Cc3ccncc3)CC2)C[C@H]1C#N ZINC001172991167 906101413 /nfs/dbraw/zinc/10/14/13/906101413.db2.gz VMFOGYYFWYIZMD-UXHICEINSA-N 1 0 384.524 3.628 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2cncc2C[NH2+]Cc2ccccc2)C[C@H]1C#N ZINC001172990906 906101891 /nfs/dbraw/zinc/10/18/91/906101891.db2.gz SEUFIUHAKAYLKL-OALUTQOASA-N 1 0 395.507 3.637 20 30 GHEDRO C[C@H]1CN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC[N@@H+]1C1CCCCC1 ZINC001172994354 906105504 /nfs/dbraw/zinc/10/55/04/906105504.db2.gz SSXSLPMSSILXHK-IHPCNDPISA-N 1 0 390.572 3.617 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1OCCCC#N ZINC000365846847 921209678 /nfs/dbraw/zinc/20/96/78/921209678.db2.gz LDAVSGQSIJMXBD-QHCPKHFHSA-N 1 0 380.488 3.514 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC3 ZINC000190614996 906175644 /nfs/dbraw/zinc/17/56/44/906175644.db2.gz CNCQTNPNQOVUEY-DVECYGJZSA-N 1 0 398.510 3.596 20 30 GHEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001173222050 906299543 /nfs/dbraw/zinc/29/95/43/906299543.db2.gz SJYVWOMQBPRRGI-QGZVFWFLSA-N 1 0 378.476 3.652 20 30 GHEDRO CCCCCCCC[C@H](CCC)[N@@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001173310851 906363643 /nfs/dbraw/zinc/36/36/43/906363643.db2.gz ZFSJEFFDSMQPOG-FCHUYYIVSA-N 1 0 382.589 3.855 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)CC1 ZINC001173320716 906371050 /nfs/dbraw/zinc/37/10/50/906371050.db2.gz RTHYOHWDFWVZGF-STTLMXHVSA-N 1 0 382.548 3.765 20 30 GHEDRO Cc1nc(CN2CC[C@@]3(CCC[N@@H+](C4CCC(CC#N)CC4)C3)C2=O)cs1 ZINC001173333358 906377327 /nfs/dbraw/zinc/37/73/27/906377327.db2.gz NTKHEXWHIMAAIR-CNBHCMJISA-N 1 0 386.565 3.739 20 30 GHEDRO N#CCC1CCC([NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)CC1 ZINC001173335936 906380264 /nfs/dbraw/zinc/38/02/64/906380264.db2.gz HVGZYCJHRMKARF-UHFFFAOYSA-N 1 0 392.551 3.981 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001173319956 906388938 /nfs/dbraw/zinc/38/89/38/906388938.db2.gz BRUGZBSHSYMTHD-IRSIHTCSSA-N 1 0 379.504 3.501 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](c3cncc(Cl)c3)C3CC3)CC2)cc1 ZINC001173427750 906463245 /nfs/dbraw/zinc/46/32/45/906463245.db2.gz REOWNOAMIMNUMK-OAQYLSRUSA-N 1 0 394.906 3.952 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CC3(Cc4cccc(F)c4)CC3)CC2)cc1 ZINC001173427164 906463283 /nfs/dbraw/zinc/46/32/83/906463283.db2.gz KMHIQSZLWWTYIG-UHFFFAOYSA-N 1 0 391.490 3.914 20 30 GHEDRO COc1cccc(CC2([NH2+]C3CCN(C(=O)c4ccc(C#N)cc4)CC3)CC2)c1 ZINC001173426765 906463321 /nfs/dbraw/zinc/46/33/21/906463321.db2.gz FSDHDCOOUUJDOL-UHFFFAOYSA-N 1 0 389.499 3.536 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]C3(Cc4ccccc4F)CC3)CC2)cc1 ZINC001173427943 906464933 /nfs/dbraw/zinc/46/49/33/906464933.db2.gz UEKPKYCFKGQTJJ-UHFFFAOYSA-N 1 0 377.463 3.667 20 30 GHEDRO C=CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1)c1ccccc1 ZINC001173505573 906509588 /nfs/dbraw/zinc/50/95/88/906509588.db2.gz FPJKCXNXJWGXSZ-BHDDXSALSA-N 1 0 392.499 3.740 20 30 GHEDRO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3C2CCC(C)(C#N)CC2)cs1 ZINC001173594968 906548469 /nfs/dbraw/zinc/54/84/69/906548469.db2.gz OURLYSYSWRXHTG-YJGITHLRSA-N 1 0 375.538 3.672 20 30 GHEDRO C#CCCCCC(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000179975168 906648308 /nfs/dbraw/zinc/64/83/08/906648308.db2.gz IJTGEHOQEACXTN-UHFFFAOYSA-N 1 0 390.531 3.578 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1)C(=O)NO ZINC001173702838 906653261 /nfs/dbraw/zinc/65/32/61/906653261.db2.gz GPPSJONSBUIGMB-BUKVSMQUSA-N 1 0 382.504 3.633 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180043915 906673564 /nfs/dbraw/zinc/67/35/64/906673564.db2.gz AHHPOHUKCHGMRF-UHFFFAOYSA-N 1 0 399.498 3.987 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001173727812 906693887 /nfs/dbraw/zinc/69/38/87/906693887.db2.gz GIMRDAMNSVCCQF-JTSKRJEESA-N 1 0 378.472 3.819 20 30 GHEDRO N#CC1(c2ccc(C(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)cc2)CC1 ZINC000180570291 906795109 /nfs/dbraw/zinc/79/51/09/906795109.db2.gz GSFWKOMQBQDUEV-UHFFFAOYSA-N 1 0 389.499 3.698 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)c(OC)c1 ZINC000629609602 906901535 /nfs/dbraw/zinc/90/15/35/906901535.db2.gz AZZRMMVLAHHANM-IMFGXOCKSA-N 1 0 389.442 3.587 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000191401131 906955039 /nfs/dbraw/zinc/95/50/39/906955039.db2.gz QOIBPWZWEQOJRO-UHFFFAOYSA-N 1 0 390.447 3.753 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000181570964 907028083 /nfs/dbraw/zinc/02/80/83/907028083.db2.gz QBBGGQRMOIFPBM-OAQYLSRUSA-N 1 0 392.522 3.778 20 30 GHEDRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000191549774 907067441 /nfs/dbraw/zinc/06/74/41/907067441.db2.gz ZNIMPIBHGVFCAT-UHFFFAOYSA-N 1 0 386.499 3.993 20 30 GHEDRO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000181900617 907097832 /nfs/dbraw/zinc/09/78/32/907097832.db2.gz HTEQUUGSRMPYIR-KRWDZBQOSA-N 1 0 387.487 3.923 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182935423 907295084 /nfs/dbraw/zinc/29/50/84/907295084.db2.gz ULADATIJJUFGRD-RXVVDRJESA-N 1 0 380.536 3.909 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000192023293 907363450 /nfs/dbraw/zinc/36/34/50/907363450.db2.gz FBXJHEFVFPHQGF-PCCBWWKXSA-N 1 0 395.890 3.827 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccccc1SCC#N)C1CC1 ZINC000773452956 907370030 /nfs/dbraw/zinc/37/00/30/907370030.db2.gz XOQWMHBDNGGYFM-FQEVSTJZSA-N 1 0 379.529 3.943 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000192087749 907402054 /nfs/dbraw/zinc/40/20/54/907402054.db2.gz VQOOIZYEJGKFJI-QGZVFWFLSA-N 1 0 398.304 3.546 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2oc3ccccc3c2Br)CC1 ZINC000630943146 907540539 /nfs/dbraw/zinc/54/05/39/907540539.db2.gz ODDFBEPUSWIUTR-UHFFFAOYSA-N 1 0 377.282 3.966 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000184339391 907564933 /nfs/dbraw/zinc/56/49/33/907564933.db2.gz NWDZVZAIECFHAN-PXNSSMCTSA-N 1 0 378.476 3.936 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)s2)cc1 ZINC000184788541 907657963 /nfs/dbraw/zinc/65/79/63/907657963.db2.gz HKFZTVDZSWLRDJ-YEJXKQKISA-N 1 0 398.532 3.586 20 30 GHEDRO N#C[C@H]1CCC[C@H](Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000185732802 907826320 /nfs/dbraw/zinc/82/63/20/907826320.db2.gz GAKMUPDBSYNLJP-VXKWHMMOSA-N 1 0 389.547 3.941 20 30 GHEDRO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC001176038529 907897464 /nfs/dbraw/zinc/89/74/64/907897464.db2.gz QDORFFSYTZQLQG-OTDUKCBNSA-N 1 0 389.499 3.657 20 30 GHEDRO N#C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000192796233 907906116 /nfs/dbraw/zinc/90/61/16/907906116.db2.gz FGNDHPMQRYNONE-HSZRJFAPSA-N 1 0 389.499 3.821 20 30 GHEDRO COc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000186709739 907970127 /nfs/dbraw/zinc/97/01/27/907970127.db2.gz WQKDSMBVBOCRKQ-UHFFFAOYSA-N 1 0 396.466 3.754 20 30 GHEDRO C#Cc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1 ZINC000187385361 908084001 /nfs/dbraw/zinc/08/40/01/908084001.db2.gz HONDYOLMSUQSFA-MRXNPFEDSA-N 1 0 375.472 3.605 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@]3(C)C3CC3)sc2C1 ZINC001176820300 908266319 /nfs/dbraw/zinc/26/63/19/908266319.db2.gz WZPDYZXUVMFECB-SPLOXXLWSA-N 1 0 387.549 3.574 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001176941119 908318515 /nfs/dbraw/zinc/31/85/15/908318515.db2.gz XXYXKYUSSDEHTO-GOSISDBHSA-N 1 0 377.492 3.585 20 30 GHEDRO C=CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000189525145 908342763 /nfs/dbraw/zinc/34/27/63/908342763.db2.gz VKFVWZJWLNVDTR-HSZRJFAPSA-N 1 0 378.516 3.619 20 30 GHEDRO CC(C)(C)n1cncc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001176990333 908350156 /nfs/dbraw/zinc/35/01/56/908350156.db2.gz GUVPSZDMPZGMFO-SFHVURJKSA-N 1 0 379.508 3.718 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001176991222 908351496 /nfs/dbraw/zinc/35/14/96/908351496.db2.gz QVSZMDSWPFSHAR-OZOXKJRCSA-N 1 0 387.549 3.910 20 30 GHEDRO CCc1cc(NC(=O)C2CC[NH+](Cc3ccccn3)CC2)cc(CC)c1C#N ZINC001177213207 908457129 /nfs/dbraw/zinc/45/71/29/908457129.db2.gz NIQFFMMVCVSHGF-UHFFFAOYSA-N 1 0 376.504 3.929 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191627304 908653088 /nfs/dbraw/zinc/65/30/88/908653088.db2.gz SRIHWVHUAHLHRA-QGZVFWFLSA-N 1 0 380.467 3.735 20 30 GHEDRO Cc1ccccc1C(=O)C(C(=S)N[C@@H]1CCCC[C@H]1C)[n+]1cccc(CO)c1 ZINC000193720808 908656231 /nfs/dbraw/zinc/65/62/31/908656231.db2.gz FHZOVGWBHIPGNY-YLJYHZDGSA-O 1 0 397.564 3.882 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]CC3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000192243114 908742087 /nfs/dbraw/zinc/74/20/87/908742087.db2.gz TXBCMDKSGZLYHK-VMWRSERWSA-N 1 0 379.426 3.617 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2-c2ccccc2C(=O)OC)CC1 ZINC000192533045 908795811 /nfs/dbraw/zinc/79/58/11/908795811.db2.gz CAFCMCYEDCPRKD-UHFFFAOYSA-N 1 0 378.472 3.520 20 30 GHEDRO N#C[C@@H](Cc1cccs1)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001177917711 908802608 /nfs/dbraw/zinc/80/26/08/908802608.db2.gz LQBYHBOKFWBRFJ-KZNAEPCWSA-N 1 0 385.508 3.868 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1OC ZINC001178108633 908886340 /nfs/dbraw/zinc/88/63/40/908886340.db2.gz FRJYKPUDFWHAFF-GUYCJALGSA-N 1 0 395.341 3.595 20 30 GHEDRO C#Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)cc1 ZINC001178333447 909003009 /nfs/dbraw/zinc/00/30/09/909003009.db2.gz GRGFKYHAOLFZTN-LOSJGSFVSA-N 1 0 395.506 3.595 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000267297736 909443484 /nfs/dbraw/zinc/44/34/84/909443484.db2.gz ZODGZJCCIYXKGH-UHFFFAOYSA-N 1 0 384.524 3.516 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1OC ZINC000267388645 909476897 /nfs/dbraw/zinc/47/68/97/909476897.db2.gz CGEZHDVUPQVMMQ-UTKZUKDTSA-N 1 0 383.492 3.907 20 30 GHEDRO C=C(C)[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccc(F)c(F)c1 ZINC000637056664 909708776 /nfs/dbraw/zinc/70/87/76/909708776.db2.gz WJEVNDOCZGUCPJ-LJQANCHMSA-N 1 0 389.450 3.867 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC001179794112 909733569 /nfs/dbraw/zinc/73/35/69/909733569.db2.gz SMALTOLBLFJSJG-CALCHBBNSA-N 1 0 389.496 3.523 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1 ZINC001179834262 909756003 /nfs/dbraw/zinc/75/60/03/909756003.db2.gz JARTUZMLDDHXLD-FYYLOGMGSA-N 1 0 377.488 3.809 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000268497985 909907376 /nfs/dbraw/zinc/90/73/76/909907376.db2.gz RUMWHWZNYQHOGE-UHFFFAOYSA-N 1 0 388.899 3.753 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000245928986 910006064 /nfs/dbraw/zinc/00/60/64/910006064.db2.gz SAFQXCUXWSVGQN-VEXUSMLFSA-N 1 0 393.531 3.919 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1S(=O)(=O)C(F)F ZINC000268803073 910024573 /nfs/dbraw/zinc/02/45/73/910024573.db2.gz LFMIWFPATWSVKS-CHWSQXEVSA-N 1 0 394.443 3.975 20 30 GHEDRO N#Cc1cccc(-c2nnc(COC(=O)c3ccc(C[NH+]4CCCC4)cc3)o2)c1 ZINC000801865084 921557369 /nfs/dbraw/zinc/55/73/69/921557369.db2.gz BDZLBXZMDKSMQL-UHFFFAOYSA-N 1 0 388.427 3.561 20 30 GHEDRO C[C@@H](C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1)[NH+]1CCCC1 ZINC001180578907 910224817 /nfs/dbraw/zinc/22/48/17/910224817.db2.gz LGHSEWWFTYOHMK-NZQKXSOJSA-N 1 0 387.527 3.829 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1OCCCC#N ZINC000270173768 910469314 /nfs/dbraw/zinc/46/93/14/910469314.db2.gz VWQMUINVPMDSHF-CHAGWJKLSA-N 1 0 386.517 3.966 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001181123153 910558295 /nfs/dbraw/zinc/55/82/95/910558295.db2.gz RHMPHCBQNQPFDK-SFHVURJKSA-N 1 0 398.555 3.696 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000271174678 910804079 /nfs/dbraw/zinc/80/40/79/910804079.db2.gz MXNVACAQBOUALW-UHFFFAOYSA-N 1 0 390.531 3.773 20 30 GHEDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000271207240 910817539 /nfs/dbraw/zinc/81/75/39/910817539.db2.gz WQYNHYQPFOZECO-HXUWFJFHSA-N 1 0 384.476 3.552 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1)C(C)C ZINC001181577665 910847137 /nfs/dbraw/zinc/84/71/37/910847137.db2.gz VWYABNTZNHNHCH-GOSISDBHSA-N 1 0 385.460 3.791 20 30 GHEDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)NC(=O)OC(C)(C)C)cc1 ZINC000774303930 911620500 /nfs/dbraw/zinc/62/05/00/911620500.db2.gz SOZSIRRXBCEWPM-POAQFYNOSA-N 1 0 386.540 3.990 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(OC(F)F)c2)c(-c2ccccc2)n1 ZINC000283824254 911661954 /nfs/dbraw/zinc/66/19/54/911661954.db2.gz DGWLKKFTMTWSRJ-UHFFFAOYSA-N 1 0 383.402 3.750 20 30 GHEDRO C[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC001182791864 912024717 /nfs/dbraw/zinc/02/47/17/912024717.db2.gz ARYYRGHBLUNTGV-KRWDZBQOSA-N 1 0 379.479 3.924 20 30 GHEDRO CC#CCCCCCCCC(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001182770120 912040297 /nfs/dbraw/zinc/04/02/97/912040297.db2.gz DYYRDEMGCOMTPC-UHFFFAOYSA-N 1 0 384.524 3.504 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000248399231 912055001 /nfs/dbraw/zinc/05/50/01/912055001.db2.gz OOLLUJBEJQLMSV-XUVXKRRUSA-N 1 0 377.573 3.795 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(C)c1Br)CC2 ZINC001275004663 912103994 /nfs/dbraw/zinc/10/39/94/912103994.db2.gz AZIHJMHGEGESCQ-INIZCTEOSA-N 1 0 377.326 3.662 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O ZINC001275588628 915079692 /nfs/dbraw/zinc/07/96/92/915079692.db2.gz FAHRQMOQLWJEMJ-UHFFFAOYSA-N 1 0 390.325 3.567 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(-n2ccnc2)nc1 ZINC000303791194 915131145 /nfs/dbraw/zinc/13/11/45/915131145.db2.gz XDUWDFHOFGXNLH-UHFFFAOYSA-N 1 0 376.508 3.611 20 30 GHEDRO C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000647407910 915210944 /nfs/dbraw/zinc/21/09/44/915210944.db2.gz FIVDPFAQPBCFNP-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCOc2ccc(C(F)(F)F)cc2)cc1OC ZINC000303885207 915297209 /nfs/dbraw/zinc/29/72/09/915297209.db2.gz NBKIRZGINRDFJH-UHFFFAOYSA-N 1 0 383.370 3.528 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000303895891 915301479 /nfs/dbraw/zinc/30/14/79/915301479.db2.gz PSHPZVQPRNVNCF-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)cc1 ZINC000303897681 915302322 /nfs/dbraw/zinc/30/23/22/915302322.db2.gz QTXUWMRARMGTMA-UHFFFAOYSA-N 1 0 388.899 3.757 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000252692365 915436122 /nfs/dbraw/zinc/43/61/22/915436122.db2.gz BGKVGSILEBZLMP-MZKRTTBSSA-N 1 0 394.563 3.579 20 30 GHEDRO [NH2+]=C(NCc1cccc(OCC(F)(F)F)c1)N[C@@H]1CCOc2ccccc21 ZINC000304512371 915526517 /nfs/dbraw/zinc/52/65/17/915526517.db2.gz XIVIMWBDNGTSIT-MRXNPFEDSA-N 1 0 379.382 3.556 20 30 GHEDRO CCCc1onc(C)c1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001187947012 915639087 /nfs/dbraw/zinc/63/90/87/915639087.db2.gz NKVGYSZVGPQMBD-WGSAOQKQSA-N 1 0 380.492 3.720 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCCC(=O)N2CCc3ccccc32)cc1 ZINC000304739079 915669201 /nfs/dbraw/zinc/66/92/01/915669201.db2.gz AZOAYCIBQZKTAT-UHFFFAOYSA-N 1 0 380.492 3.570 20 30 GHEDRO Cc1ccoc1C(=O)NCCCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000304756992 915672407 /nfs/dbraw/zinc/67/24/07/915672407.db2.gz OILIIVPPARTWAP-GFCCVEGCSA-N 1 0 397.306 3.680 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCSc2nccs2)c1 ZINC000304759524 915674511 /nfs/dbraw/zinc/67/45/11/915674511.db2.gz RHRWNKPBWZOGSB-UHFFFAOYSA-N 1 0 380.539 3.850 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000304805962 915721174 /nfs/dbraw/zinc/72/11/74/915721174.db2.gz RSQKKLILVZFOHH-CQSZACIVSA-N 1 0 375.444 3.817 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(F)ccc3Br)CC2)C1=O ZINC001275722870 916390624 /nfs/dbraw/zinc/39/06/24/916390624.db2.gz WHDYOCHKUOLSHA-UHFFFAOYSA-N 1 0 381.289 3.589 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000775242605 916583166 /nfs/dbraw/zinc/58/31/66/916583166.db2.gz CIEFJBBEIWQFIO-XMSQKQJNSA-N 1 0 396.487 3.895 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(SCC#N)c1 ZINC000361364723 916666182 /nfs/dbraw/zinc/66/61/82/916666182.db2.gz MFMXQMOOIXMUCV-DYESRHJHSA-N 1 0 379.529 3.943 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC001190347733 917276268 /nfs/dbraw/zinc/27/62/68/917276268.db2.gz FHEGYGSKIFMXDA-SIKLNZKXSA-N 1 0 387.524 3.531 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@H+](C)CCCc2ccccc2Br)c1 ZINC001190399937 917300163 /nfs/dbraw/zinc/30/01/63/917300163.db2.gz RSWICRORKIVNGP-UHFFFAOYSA-N 1 0 385.305 3.934 20 30 GHEDRO C#CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000775399333 917424915 /nfs/dbraw/zinc/42/49/15/917424915.db2.gz BUJWEHIUQUXEMP-GOSISDBHSA-N 1 0 392.318 3.577 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1cc(C)nn1-c1ccccc1F)c1ccccc1 ZINC000775398833 917439270 /nfs/dbraw/zinc/43/92/70/917439270.db2.gz CCKYUZHYBJBPTF-LJQANCHMSA-N 1 0 376.435 3.613 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(OCC)cc1)c1ccccc1 ZINC000775399217 917442963 /nfs/dbraw/zinc/44/29/63/917442963.db2.gz QLSMUTRLHHSISY-QFIPXVFZSA-N 1 0 375.472 3.686 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295819186 917523148 /nfs/dbraw/zinc/52/31/48/917523148.db2.gz BRJNDQQGEDMNBA-JBACZVJFSA-N 1 0 395.551 3.662 20 30 GHEDRO C#CC[N@H+](C[C@@H]1C[C@@]12CCOC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC001191038819 917721067 /nfs/dbraw/zinc/72/10/67/917721067.db2.gz NACJJFNCKMFHCI-POZUXBRTSA-N 1 0 376.294 3.635 20 30 GHEDRO C=C(CC)CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001191333826 917938762 /nfs/dbraw/zinc/93/87/62/917938762.db2.gz RODYLARCKXRXJP-XZOQPEGZSA-N 1 0 398.572 3.849 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC001191426282 917997024 /nfs/dbraw/zinc/99/70/24/917997024.db2.gz CUWIGDHOIAKVNG-UHFFFAOYSA-N 1 0 379.504 3.689 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](C(C)(C)CC)CC2)cc1 ZINC000653952783 918624053 /nfs/dbraw/zinc/62/40/53/918624053.db2.gz QDARKTHGVSZZHW-UHFFFAOYSA-N 1 0 398.551 3.839 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000653952125 918626958 /nfs/dbraw/zinc/62/69/58/918626958.db2.gz GBRDWJBFBOZSLD-SFTDATJTSA-N 1 0 396.535 3.639 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3sc(NC(C)(C)C)nc3Cl)C2)C1=O ZINC001275869483 919026336 /nfs/dbraw/zinc/02/63/36/919026336.db2.gz YVRBHMUQSAKLBM-GOSISDBHSA-N 1 0 382.961 3.617 20 30 GHEDRO C=CCC[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000297358683 919267780 /nfs/dbraw/zinc/26/77/80/919267780.db2.gz PDYHRKVENOTATB-PJEZACDQSA-N 1 0 385.552 3.977 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCOCC2)c(C#N)c1C ZINC000364308802 919327408 /nfs/dbraw/zinc/32/74/08/919327408.db2.gz VVOMYQMEIMVQQR-HXUWFJFHSA-N 1 0 383.517 3.933 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000116602266 919513648 /nfs/dbraw/zinc/51/36/48/919513648.db2.gz QVIGBEJREMBYEF-HNNXBMFYSA-N 1 0 384.505 3.688 20 30 GHEDRO COc1cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)ccc1Cl ZINC001275929315 919791197 /nfs/dbraw/zinc/79/11/97/919791197.db2.gz ADYHKJSBBOYFGZ-HXUWFJFHSA-N 1 0 375.900 3.609 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000900311197 920166901 /nfs/dbraw/zinc/16/69/01/920166901.db2.gz QVBNOYMHUYNNOS-UHFFFAOYSA-N 1 0 377.916 3.849 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000800777307 920449602 /nfs/dbraw/zinc/44/96/02/920449602.db2.gz KMMAXIXETILJQC-UHFFFAOYSA-N 1 0 388.947 3.736 20 30 GHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000298462242 920563757 /nfs/dbraw/zinc/56/37/57/920563757.db2.gz NPQREDHAUJYXDU-INIZCTEOSA-N 1 0 377.513 3.924 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)c(C)c1 ZINC001275976289 920575410 /nfs/dbraw/zinc/57/54/10/920575410.db2.gz CNISMQQRNWZGSU-QZTJIDSGSA-N 1 0 377.326 3.899 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367463243 922118938 /nfs/dbraw/zinc/11/89/38/922118938.db2.gz KIONYZVEBGLLFS-IBGZPJMESA-N 1 0 397.441 3.525 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+]C2(C3CC3)CCOCC2)sc2c1CCCCC2 ZINC000367565561 922203813 /nfs/dbraw/zinc/20/38/13/922203813.db2.gz MLLUBDADOFRMBD-UHFFFAOYSA-N 1 0 387.549 3.766 20 30 GHEDRO N#Cc1cccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1F ZINC000803906082 923364095 /nfs/dbraw/zinc/36/40/95/923364095.db2.gz AVTBDOYYMMJXPH-GOSISDBHSA-N 1 0 388.389 3.898 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000369813660 923641269 /nfs/dbraw/zinc/64/12/69/923641269.db2.gz JLALAXNOGAKBPZ-HXUWFJFHSA-N 1 0 399.926 3.511 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)/C=C\c2ccccc2C#N)ccc1OC ZINC000748655119 923764630 /nfs/dbraw/zinc/76/46/30/923764630.db2.gz QPWMTMIGUGYKNH-RAXLEYEMSA-N 1 0 393.487 3.939 20 30 GHEDRO CO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000369992325 923787522 /nfs/dbraw/zinc/78/75/22/923787522.db2.gz BHCZNWZUYIYOEE-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000370014549 923805036 /nfs/dbraw/zinc/80/50/36/923805036.db2.gz ZIBIUYCYHVTHKE-GOSISDBHSA-N 1 0 387.487 3.705 20 30 GHEDRO COc1ccc(C#N)cc1C[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000749069016 924013836 /nfs/dbraw/zinc/01/38/36/924013836.db2.gz SATZKCHMRRYZLS-UHFFFAOYSA-N 1 0 385.508 3.931 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc1OCCCC#N ZINC000370729781 924278535 /nfs/dbraw/zinc/27/85/35/924278535.db2.gz KMYKKDHFLQJZRN-LJQANCHMSA-N 1 0 399.491 3.774 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000370899284 924344019 /nfs/dbraw/zinc/34/40/19/924344019.db2.gz LSWJVKDCXCAISH-FCHUYYIVSA-N 1 0 384.568 3.504 20 30 GHEDRO Cc1ccnc(C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)n1 ZINC000371899910 924961552 /nfs/dbraw/zinc/96/15/52/924961552.db2.gz SKFKBLUJJFRFGC-UHFFFAOYSA-N 1 0 386.503 3.942 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000409788557 925013963 /nfs/dbraw/zinc/01/39/63/925013963.db2.gz FBLOGZJQJLFKOF-MBPVOVBZSA-N 1 0 391.515 3.969 20 30 GHEDRO COc1ccc(-c2ccncc2)cc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000372228418 925260927 /nfs/dbraw/zinc/26/09/27/925260927.db2.gz SCYRBZZEAOSHEC-UHFFFAOYSA-N 1 0 399.498 3.782 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)C(C)C ZINC000410126015 925332897 /nfs/dbraw/zinc/33/28/97/925332897.db2.gz UDNCSUHXXKGELH-FCEUIQTBSA-N 1 0 385.552 3.857 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC000827400782 925439295 /nfs/dbraw/zinc/43/92/95/925439295.db2.gz GESJZHOWAOLSIZ-LJQANCHMSA-N 1 0 378.438 3.681 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)CCOCC2)cc1 ZINC000827477540 925615661 /nfs/dbraw/zinc/61/56/61/925615661.db2.gz VSSZFYYIGAKXPW-UHFFFAOYSA-N 1 0 393.487 3.573 20 30 GHEDRO C[C@@]1(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1(Cl)Cl ZINC000827602550 925826138 /nfs/dbraw/zinc/82/61/38/925826138.db2.gz XQPPOMHETMCNBH-SFHVURJKSA-N 1 0 375.303 3.812 20 30 GHEDRO CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000411065031 926029141 /nfs/dbraw/zinc/02/91/41/926029141.db2.gz NHHMNTGIZYMLNQ-UHFFFAOYSA-N 1 0 390.487 3.544 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)cc1 ZINC000373395021 926079543 /nfs/dbraw/zinc/07/95/43/926079543.db2.gz POXYQKYUDKVAJI-JOCHJYFZSA-N 1 0 391.515 3.817 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H]3CN(C4CCCCC4)C(=O)O3)CC2)cc1 ZINC000827871395 926123862 /nfs/dbraw/zinc/12/38/62/926123862.db2.gz ZEBUOQLIBZAHOK-OAQYLSRUSA-N 1 0 383.492 3.555 20 30 GHEDRO N#CC1(CC[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCCCC1 ZINC000411228175 926234861 /nfs/dbraw/zinc/23/48/61/926234861.db2.gz VJTVQGBKHZPEIE-QFIPXVFZSA-N 1 0 395.595 3.780 20 30 GHEDRO CCC[N@H+](C[C@@H]1CCCCO1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411369225 926339984 /nfs/dbraw/zinc/33/99/84/926339984.db2.gz PTKDBQPEGNHSQM-CABCVRRESA-N 1 0 375.538 3.717 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)CCC2 ZINC000411463479 926424954 /nfs/dbraw/zinc/42/49/54/926424954.db2.gz RSQAGYLOFMMWDM-KKSFZXQISA-N 1 0 395.528 3.804 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)CCC2 ZINC000411463474 926425059 /nfs/dbraw/zinc/42/50/59/926425059.db2.gz RSQAGYLOFMMWDM-IERDGZPVSA-N 1 0 395.528 3.804 20 30 GHEDRO CC(C)CC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C1CCCC1 ZINC000725772896 926432497 /nfs/dbraw/zinc/43/24/97/926432497.db2.gz XOOXIXZMJZYUCY-QFIPXVFZSA-N 1 0 382.508 3.573 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CCOCC1 ZINC000411477526 926445779 /nfs/dbraw/zinc/44/57/79/926445779.db2.gz IKSPMHCAHBPJMR-RDTXWAMCSA-N 1 0 389.565 3.868 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000411641683 926592499 /nfs/dbraw/zinc/59/24/99/926592499.db2.gz LWCYWXKNSHJMBB-UHFFFAOYSA-N 1 0 381.480 3.640 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000411689849 926652591 /nfs/dbraw/zinc/65/25/91/926652591.db2.gz KUQIVDZSPDGSMV-OAQYLSRUSA-N 1 0 383.879 3.532 20 30 GHEDRO CCC(CC)[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000726463033 926681966 /nfs/dbraw/zinc/68/19/66/926681966.db2.gz TZDBHFRHTWPPFF-GOSISDBHSA-N 1 0 394.972 3.635 20 30 GHEDRO CCC[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCOC1 ZINC000411724049 926692436 /nfs/dbraw/zinc/69/24/36/926692436.db2.gz XQJRGWVFANNSBB-VLIAUNLRSA-N 1 0 375.538 3.622 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(F)(c3ccccn3)CC2)cc1Cl ZINC000411762487 926739734 /nfs/dbraw/zinc/73/97/34/926739734.db2.gz BQIPKSFGFCXPRV-UHFFFAOYSA-N 1 0 386.858 3.896 20 30 GHEDRO N#Cc1c(NC(=O)CN2C[C@@H](O)C[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943032 926928207 /nfs/dbraw/zinc/92/82/07/926928207.db2.gz MLOCRPORKJERRB-LPHOPBHVSA-N 1 0 395.528 3.635 20 30 GHEDRO CC(C)(CN1CCOCC1)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000412000239 926998283 /nfs/dbraw/zinc/99/82/83/926998283.db2.gz VLJWWQDMAVTPBC-UHFFFAOYSA-N 1 0 377.532 3.587 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374369898 927063830 /nfs/dbraw/zinc/06/38/30/927063830.db2.gz WFDDEDQKWQPLKF-WMZOPIPTSA-N 1 0 387.549 3.768 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412130597 927130896 /nfs/dbraw/zinc/13/08/96/927130896.db2.gz PVJLIQCPKQGOOS-OAQYLSRUSA-N 1 0 385.577 3.760 20 30 GHEDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)C2)cc1 ZINC000749907125 927342427 /nfs/dbraw/zinc/34/24/27/927342427.db2.gz BKBLENVNZJVRNE-XLIONFOSSA-N 1 0 398.466 3.722 20 30 GHEDRO CC(C)(C)c1nc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000374889442 927656359 /nfs/dbraw/zinc/65/63/59/927656359.db2.gz CIBSJWIBHJOAOJ-UHFFFAOYSA-N 1 0 396.560 3.658 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000750598091 927741473 /nfs/dbraw/zinc/74/14/73/927741473.db2.gz ZYXLZDDVMOYPRQ-XMSQKQJNSA-N 1 0 377.488 3.731 20 30 GHEDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000543839360 928486563 /nfs/dbraw/zinc/48/65/63/928486563.db2.gz LWCUJIOBCWSQRL-KXBFYZLASA-N 1 0 383.517 3.509 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000467012364 928587574 /nfs/dbraw/zinc/58/75/74/928587574.db2.gz CLUDZPSKNCIRKZ-UHFFFAOYSA-N 1 0 384.499 3.881 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+](CC)CC)o2)cc1C#N ZINC000752194998 928674498 /nfs/dbraw/zinc/67/44/98/928674498.db2.gz UNZBYIYXZHZGAW-UHFFFAOYSA-N 1 0 384.436 3.814 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467092051 928688233 /nfs/dbraw/zinc/68/82/33/928688233.db2.gz BRSKQLAWKMTFMB-UHFFFAOYSA-N 1 0 396.491 3.597 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C#N ZINC000752301120 928739665 /nfs/dbraw/zinc/73/96/65/928739665.db2.gz SVJMTDQQJFLVET-LSDHHAIUSA-N 1 0 387.484 3.511 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)C ZINC000752317541 928753400 /nfs/dbraw/zinc/75/34/00/928753400.db2.gz AJDQKOBWMIJTOX-IBGZPJMESA-N 1 0 393.535 3.523 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000467285019 928916759 /nfs/dbraw/zinc/91/67/59/928916759.db2.gz AZJAKSSQVSBRFS-UHFFFAOYSA-N 1 0 381.476 3.784 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000467298328 928932496 /nfs/dbraw/zinc/93/24/96/928932496.db2.gz NDGZKSCYNDUULZ-SFHVURJKSA-N 1 0 379.504 3.966 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000467298327 928932889 /nfs/dbraw/zinc/93/28/89/928932889.db2.gz NDGZKSCYNDUULZ-GOSISDBHSA-N 1 0 379.504 3.966 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000467303716 928936536 /nfs/dbraw/zinc/93/65/36/928936536.db2.gz DTVMDDXYKDJNMN-JOCHJYFZSA-N 1 0 377.488 3.881 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+]2CCCc2cccc(Br)c2)C1=O ZINC001276275283 929135442 /nfs/dbraw/zinc/13/54/42/929135442.db2.gz XHFPLOOTSBXWBP-LJQANCHMSA-N 1 0 377.326 3.635 20 30 GHEDRO C#C[C@H](CC)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000753248921 929269738 /nfs/dbraw/zinc/26/97/38/929269738.db2.gz UHANSWGLZCWJOH-CGTJXYLNSA-N 1 0 381.442 3.799 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000467718087 929333320 /nfs/dbraw/zinc/33/33/20/929333320.db2.gz KVUUWQIHMUIIHA-IERDGZPVSA-N 1 0 375.472 3.872 20 30 GHEDRO Clc1ccc(OCc2nc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cs2)cc1 ZINC000753935302 929599622 /nfs/dbraw/zinc/59/96/22/929599622.db2.gz NJVPFTAMYFWCKB-HZPDHXFCSA-N 1 0 389.912 3.569 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2Cl)CCCC1)C(=O)NC1(C#N)CCC1 ZINC000469245544 929729037 /nfs/dbraw/zinc/72/90/37/929729037.db2.gz MJXYTKVLINZPGK-AWEZNQCLSA-N 1 0 377.891 3.831 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)c3ccccc3OCC#N)CCC[N@@H+]2C)cc1 ZINC000757901635 929848509 /nfs/dbraw/zinc/84/85/09/929848509.db2.gz KPXRVABQWCBQMO-PGRDOPGGSA-N 1 0 394.471 3.837 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)cc1 ZINC000758572519 930088194 /nfs/dbraw/zinc/08/81/94/930088194.db2.gz XZUSTPKYJXJZSJ-UHFFFAOYSA-N 1 0 378.398 3.619 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1 ZINC000758579223 930090146 /nfs/dbraw/zinc/09/01/46/930090146.db2.gz FGHSRBUKYWXJJK-ZQMYSKGWSA-N 1 0 382.479 3.980 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000759060622 930260461 /nfs/dbraw/zinc/26/04/61/930260461.db2.gz ZNVHTMMRNGMQGI-UHFFFAOYSA-O 1 0 382.553 3.661 20 30 GHEDRO C=CCSCCNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470071046 930360215 /nfs/dbraw/zinc/36/02/15/930360215.db2.gz HRGSGTGJBMHIKY-HNNXBMFYSA-N 1 0 375.460 3.527 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000546707544 930370987 /nfs/dbraw/zinc/37/09/87/930370987.db2.gz IQSQAMJHFPJQIA-LPHOPBHVSA-N 1 0 378.476 3.599 20 30 GHEDRO CC[C@@H](CNC(=O)Nc1ccc(C#N)cc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000546708145 930372299 /nfs/dbraw/zinc/37/22/99/930372299.db2.gz VWSPXUKVHNYQEP-IBGZPJMESA-N 1 0 378.476 3.525 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000780742941 930589428 /nfs/dbraw/zinc/58/94/28/930589428.db2.gz OLMHZSMNWVMKTP-OXQOHEQNSA-N 1 0 390.462 3.762 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000547105250 930699262 /nfs/dbraw/zinc/69/92/62/930699262.db2.gz FQBQOUZYJMHYCW-OAHLLOKOSA-N 1 0 378.432 3.689 20 30 GHEDRO CS(=O)(=O)c1ccccc1N=NC1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781127716 930709176 /nfs/dbraw/zinc/70/91/76/930709176.db2.gz QAFJUOAYROAZED-RBUKOAKNSA-N 1 0 397.544 3.790 20 30 GHEDRO S=C(NN=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Nc1ccccn1 ZINC000781128736 930709272 /nfs/dbraw/zinc/70/92/72/930709272.db2.gz UGSCJHXCLUYGDD-MSOLQXFVSA-N 1 0 379.533 3.656 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781509815 930873703 /nfs/dbraw/zinc/87/37/03/930873703.db2.gz FQKJBXNVYWJBAZ-MRXNPFEDSA-N 1 0 376.456 3.572 20 30 GHEDRO COC(=O)CCCN1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000547329846 930922367 /nfs/dbraw/zinc/92/23/67/930922367.db2.gz VHRIGSMSYUWUCR-UHFFFAOYSA-N 1 0 391.515 3.732 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000547416246 930995756 /nfs/dbraw/zinc/99/57/56/930995756.db2.gz LIWRWALTZOHVFG-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C2CC2)O1 ZINC000470906160 931018913 /nfs/dbraw/zinc/01/89/13/931018913.db2.gz LMMSSDREYBIDST-KDOFPFPSSA-N 1 0 387.549 3.717 20 30 GHEDRO Cc1ccccc1NC(=O)CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471005217 931089755 /nfs/dbraw/zinc/08/97/55/931089755.db2.gz FXMWCFZKUNZOIA-OAQYLSRUSA-N 1 0 396.922 3.860 20 30 GHEDRO CCOCOc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000782545613 931264452 /nfs/dbraw/zinc/26/44/52/931264452.db2.gz QWHANEJDEOXDAS-UHFFFAOYSA-N 1 0 381.476 3.806 20 30 GHEDRO Cc1csc(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000924616376 931447778 /nfs/dbraw/zinc/44/77/78/931447778.db2.gz SFPDENZIDLRHTJ-AWEZNQCLSA-N 1 0 378.542 3.861 20 30 GHEDRO NC(=[NH+]OCCc1ccc2ccccc2c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000783558684 931581580 /nfs/dbraw/zinc/58/15/80/931581580.db2.gz GCLUWCKDFSCLGN-UHFFFAOYSA-N 1 0 389.499 3.681 20 30 GHEDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925272165 931726598 /nfs/dbraw/zinc/72/65/98/931726598.db2.gz SEIVDUZRYBPZGH-KZNAEPCWSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@@H](C)CC(C)(C)C2)c1=S ZINC000784007700 931752625 /nfs/dbraw/zinc/75/26/25/931752625.db2.gz KTGHPCGOIQFTRG-SFHVURJKSA-N 1 0 391.629 3.954 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@H](Cc3ccc(F)cc3)C(N)=O)c2)s1 ZINC000784074600 931775138 /nfs/dbraw/zinc/77/51/38/931775138.db2.gz XOOZUSCOMITYMW-LJQANCHMSA-N 1 0 379.460 3.612 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000558164157 931867088 /nfs/dbraw/zinc/86/70/88/931867088.db2.gz RYUKENMEQNIOAQ-ISKFKSNPSA-N 1 0 391.515 3.988 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000558164158 931867315 /nfs/dbraw/zinc/86/73/15/931867315.db2.gz RYUKENMEQNIOAQ-LADGPHEKSA-N 1 0 391.515 3.988 20 30 GHEDRO COc1ccc2c(c1)C1(CC1)CN([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000558477517 932025448 /nfs/dbraw/zinc/02/54/48/932025448.db2.gz AHGMRRHHFVUWOO-GOSISDBHSA-N 1 0 389.499 3.878 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000796710763 932039221 /nfs/dbraw/zinc/03/92/21/932039221.db2.gz ZVZTXBYAHNWICA-HXUWFJFHSA-N 1 0 389.421 3.869 20 30 GHEDRO Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n(C)n1 ZINC000926236368 932093948 /nfs/dbraw/zinc/09/39/48/932093948.db2.gz NLCVPGSZPANRBO-VRVYILLGSA-N 1 0 393.535 3.686 20 30 GHEDRO N#CC1CCC(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558610458 932106249 /nfs/dbraw/zinc/10/62/49/932106249.db2.gz VGXSCQKRSLGIOW-QETWGEEDSA-N 1 0 382.552 3.918 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796962297 932125127 /nfs/dbraw/zinc/12/51/27/932125127.db2.gz REOFZVZKINALPX-DYESRHJHSA-N 1 0 398.551 3.762 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000558675246 932157960 /nfs/dbraw/zinc/15/79/60/932157960.db2.gz DJENPYHUWNXWSV-LJQANCHMSA-N 1 0 380.540 3.619 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccnn2-c2ccccc2OC)c1 ZINC000797466489 932293542 /nfs/dbraw/zinc/29/35/42/932293542.db2.gz JUJOBXXBIPYVHH-LJQANCHMSA-N 1 0 376.460 3.852 20 30 GHEDRO N#CCC1(CNC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1 ZINC000797621381 932346961 /nfs/dbraw/zinc/34/69/61/932346961.db2.gz BMSSZZXMUZGTLN-UHFFFAOYSA-N 1 0 397.523 3.707 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000798366383 932616399 /nfs/dbraw/zinc/61/63/99/932616399.db2.gz ASXXWTNZOHIHHF-WZONZLPQSA-N 1 0 376.504 3.831 20 30 GHEDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)CC1 ZINC000799030323 932856954 /nfs/dbraw/zinc/85/69/54/932856954.db2.gz WNFKOENOZQVHAD-UHFFFAOYSA-N 1 0 390.487 3.694 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc1C#N ZINC000799338153 932956765 /nfs/dbraw/zinc/95/67/65/932956765.db2.gz HKBQYAVBUBFKTQ-LJQANCHMSA-N 1 0 381.476 3.922 20 30 GHEDRO C[NH+](C)CCCNC(=S)NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000799480833 933018448 /nfs/dbraw/zinc/01/84/48/933018448.db2.gz XYNALUJVUIMNFB-CQSZACIVSA-N 1 0 386.487 3.745 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)CC1 ZINC000928654755 933053047 /nfs/dbraw/zinc/05/30/47/933053047.db2.gz BXTQZLRXFSRRIS-UHFFFAOYSA-N 1 0 391.899 3.514 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000928661492 933055034 /nfs/dbraw/zinc/05/50/34/933055034.db2.gz VKUDJFZCDQPSAT-UHFFFAOYSA-N 1 0 389.524 3.678 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000799717207 933098590 /nfs/dbraw/zinc/09/85/90/933098590.db2.gz LBAYYSKBQMTRPT-FGZHOGPDSA-N 1 0 375.472 3.583 20 30 GHEDRO CCCCCCCS(=O)(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000799794945 933123753 /nfs/dbraw/zinc/12/37/53/933123753.db2.gz HOOHJNHAJOZLSN-UHFFFAOYSA-N 1 0 381.586 3.920 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929243480 933300303 /nfs/dbraw/zinc/30/03/03/933300303.db2.gz AJGGRXJJYMNWDY-UHFFFAOYSA-N 1 0 382.552 3.724 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001116044973 933303450 /nfs/dbraw/zinc/30/34/50/933303450.db2.gz PHLJDXFFEQFFEQ-RTBURBONSA-N 1 0 379.464 3.740 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccccc2COCc2ccccc2)CC1 ZINC000929736389 933603517 /nfs/dbraw/zinc/60/35/17/933603517.db2.gz GJCGHWNWVZTABV-UHFFFAOYSA-N 1 0 377.488 3.623 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C3CC(OCc4ccccc4)C3)CC2)c1 ZINC000929926445 933711234 /nfs/dbraw/zinc/71/12/34/933711234.db2.gz ANBDOHAJXOGESF-UHFFFAOYSA-N 1 0 389.499 3.957 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccnc1 ZINC000930249978 933938622 /nfs/dbraw/zinc/93/86/22/933938622.db2.gz VWPPCWITMXEFJW-QGZVFWFLSA-N 1 0 391.397 3.787 20 30 GHEDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)C[C@H]2C1 ZINC000930254892 933941986 /nfs/dbraw/zinc/94/19/86/933941986.db2.gz INSMDXQJZMBPRB-IYBDPMFKSA-N 1 0 380.423 3.515 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000561463951 934186911 /nfs/dbraw/zinc/18/69/11/934186911.db2.gz JCJFBPIVHSVHRA-UHFFFAOYSA-N 1 0 393.531 3.758 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=S)Nc3ccccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000777929537 934194993 /nfs/dbraw/zinc/19/49/93/934194993.db2.gz WYXMIRXFANQSFR-NHCUHLMSSA-N 1 0 392.528 3.831 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000931281803 934479406 /nfs/dbraw/zinc/47/94/06/934479406.db2.gz YXCBJBVYKOCSGE-CYBMUJFWSA-N 1 0 384.402 3.652 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)NCC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC001120748270 934505399 /nfs/dbraw/zinc/50/53/99/934505399.db2.gz LSOZJNHGYNCTBN-QGZVFWFLSA-N 1 0 397.441 3.525 20 30 GHEDRO N#CC1(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCCCC2)CCC1 ZINC000561865153 934517256 /nfs/dbraw/zinc/51/72/56/934517256.db2.gz HFAOBRRSXJQPLV-UHFFFAOYSA-N 1 0 390.325 3.761 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000561876885 934529828 /nfs/dbraw/zinc/52/98/28/934529828.db2.gz KNBZPXJNGRFKHJ-QFIPXVFZSA-N 1 0 393.531 3.915 20 30 GHEDRO Cn1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(-c2cccs2)n1 ZINC000561974188 934598542 /nfs/dbraw/zinc/59/85/42/934598542.db2.gz OTKHIARRSCQJRF-UHFFFAOYSA-N 1 0 379.533 3.584 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121502714 934677232 /nfs/dbraw/zinc/67/72/32/934677232.db2.gz UQLLIOGOXDFXGR-ICSRJNTNSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001121575913 934703023 /nfs/dbraw/zinc/70/30/23/934703023.db2.gz ARNFZEYPXCIXJW-UHFFFAOYSA-N 1 0 390.535 3.652 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC(c2ccc(OC)cc2)CC1 ZINC001121668012 934732731 /nfs/dbraw/zinc/73/27/31/934732731.db2.gz UFDYFXFUSRFRQY-HXUWFJFHSA-N 1 0 395.551 3.666 20 30 GHEDRO C=CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001121680319 934736337 /nfs/dbraw/zinc/73/63/37/934736337.db2.gz WONVWVTZVIEKNC-UHFFFAOYSA-N 1 0 378.524 3.508 20 30 GHEDRO CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001121849161 934778167 /nfs/dbraw/zinc/77/81/67/934778167.db2.gz XKLSMTGCANRZRO-AZUAARDMSA-N 1 0 379.589 3.561 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)C1 ZINC001122079115 934816213 /nfs/dbraw/zinc/81/62/13/934816213.db2.gz OYYJFXPGKFJFTL-CTNGQTDRSA-N 1 0 394.567 3.902 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001122466745 934876657 /nfs/dbraw/zinc/87/66/57/934876657.db2.gz SUJUXKMGAPZGHF-GGPKGHCWSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001122487915 934881702 /nfs/dbraw/zinc/88/17/02/934881702.db2.gz LBUYMWFSDAMIIP-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC(Oc2ccccc2)CC1 ZINC001122490098 934881735 /nfs/dbraw/zinc/88/17/35/934881735.db2.gz FQMXBROZQDHKDE-UHFFFAOYSA-N 1 0 395.551 3.711 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001122541268 934894526 /nfs/dbraw/zinc/89/45/26/934894526.db2.gz NZCQCXIGMKGZJO-RDGPPVDQSA-N 1 0 389.588 3.692 20 30 GHEDRO C=C(C)Cn1c(-c2cncc3ccccc32)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001122587106 934909963 /nfs/dbraw/zinc/90/99/63/934909963.db2.gz XQIIUTRNZVWTEP-NQIIRXRSSA-N 1 0 388.519 3.600 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001122705910 934956267 /nfs/dbraw/zinc/95/62/67/934956267.db2.gz DTYIOFAYBMHZED-MTQWCTHYSA-N 1 0 384.572 3.652 20 30 GHEDRO C=C[C@H](C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001123809933 935294969 /nfs/dbraw/zinc/29/49/69/935294969.db2.gz DWQIXGLIIYFTGU-QHCPKHFHSA-N 1 0 393.531 3.611 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C#N)c(OC)c2)CC1 ZINC001124388746 935382141 /nfs/dbraw/zinc/38/21/41/935382141.db2.gz PWADBNLIXDTASY-UHFFFAOYSA-N 1 0 398.894 3.614 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)c(C#N)c1 ZINC001137701101 935732166 /nfs/dbraw/zinc/73/21/66/935732166.db2.gz LHUUOAZIUCHYOS-GGAORHGYSA-N 1 0 377.488 3.781 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c(C#N)c1 ZINC001137702742 935733348 /nfs/dbraw/zinc/73/33/48/935733348.db2.gz XTOOUKUNSAJWPU-DEOSSOPVSA-N 1 0 389.499 3.713 20 30 GHEDRO N#CCc1ccc(OCc2cccc(NC(=O)[C@@]34CC[N@H+](C3)CCC4)c2)cc1 ZINC000895764170 1014487667 /nfs/dbraw/zinc/48/76/67/1014487667.db2.gz PGFRMTOMSUZYEW-QHCPKHFHSA-N 1 0 375.472 3.756 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](C)C1 ZINC001625950873 1014522551 /nfs/dbraw/zinc/52/25/51/1014522551.db2.gz LZLGADJDTCGSHX-SFHVURJKSA-N 1 0 377.488 3.694 20 30 GHEDRO CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1 ZINC001626021021 1014784517 /nfs/dbraw/zinc/78/45/17/1014784517.db2.gz WJVRSZXTIZOVLG-SFHVURJKSA-N 1 0 387.524 3.746 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1 ZINC000468659775 1015880144 /nfs/dbraw/zinc/88/01/44/1015880144.db2.gz KNYAHJRRXQDIOM-GGAORHGYSA-N 1 0 383.536 3.986 20 30 GHEDRO N#CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468818203 1016066199 /nfs/dbraw/zinc/06/61/99/1016066199.db2.gz CGFHAKBRXIRBSH-LEWJYISDSA-N 1 0 381.907 3.976 20 30 GHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000468890289 1016171919 /nfs/dbraw/zinc/17/19/19/1016171919.db2.gz IOLMODNHGRMYCT-VEVIJQCQSA-N 1 0 396.329 3.551 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](Oc3ccc4cc(C#N)ccc4c3)C[C@H]2C1 ZINC001226813681 1032141870 /nfs/dbraw/zinc/14/18/70/1032141870.db2.gz SRWQRSYRQNLIRX-FPOVZHCZSA-N 1 0 393.487 3.784 20 30 GHEDRO C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(C#N)nc1 ZINC001221089967 1032281013 /nfs/dbraw/zinc/28/10/13/1032281013.db2.gz YQVJTFKALCBTOZ-MBSDFSHPSA-N 1 0 398.510 3.833 20 30 GHEDRO Cc1ccccc1CC(C)(C)CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001221160367 1032311244 /nfs/dbraw/zinc/31/12/44/1032311244.db2.gz RBPIVKLXEGYZJN-YADHBBJMSA-N 1 0 375.516 3.555 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205586 1032330861 /nfs/dbraw/zinc/33/08/61/1032330861.db2.gz YWWIIBOIPHJCTJ-FQEVSTJZSA-N 1 0 390.499 3.662 20 30 GHEDRO Cc1nc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c(C#N)cc1-c1ccncc1 ZINC001227269386 1032349095 /nfs/dbraw/zinc/34/90/95/1032349095.db2.gz CXDUOPOEMZUQRL-YLJYHZDGSA-N 1 0 385.471 3.933 20 30 GHEDRO CC(C)C[C@](C)(C#N)NC(=O)C[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC001221292122 1032362891 /nfs/dbraw/zinc/36/28/91/1032362891.db2.gz FUOPVERVQCIOGY-XUZZJYLKSA-N 1 0 393.531 3.970 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC001221359954 1032384867 /nfs/dbraw/zinc/38/48/67/1032384867.db2.gz BXZQGQFMKACFKD-MIZPHKNDSA-N 1 0 389.499 3.941 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001227478837 1032435810 /nfs/dbraw/zinc/43/58/10/1032435810.db2.gz FFFPBBSIGUMCFK-FDFHNCONSA-N 1 0 385.552 3.664 20 30 GHEDRO C#C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC001221495649 1032437176 /nfs/dbraw/zinc/43/71/76/1032437176.db2.gz OXAZLEQLPRJAFU-NRFANRHFSA-N 1 0 379.479 3.636 20 30 GHEDRO COc1c(Cl)cnc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C#N ZINC001227556438 1032463165 /nfs/dbraw/zinc/46/31/65/1032463165.db2.gz FCFPJOOJCVEBPE-VDZJLULYSA-N 1 0 383.879 3.905 20 30 GHEDRO C=CC[C@H]1CCCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC001221873515 1032559348 /nfs/dbraw/zinc/55/93/48/1032559348.db2.gz UUGGDJWNACZQQT-IBGZPJMESA-N 1 0 377.573 3.798 20 30 GHEDRO COc1cccc(N(C2CC[NH2+]CC2)C(F)(F)c2cc(C#N)cc(Cl)n2)c1 ZINC001155605978 1032597548 /nfs/dbraw/zinc/59/75/48/1032597548.db2.gz KBLMGHYOTOKAIZ-UHFFFAOYSA-N 1 0 392.837 3.923 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1F ZINC001227879228 1032663934 /nfs/dbraw/zinc/66/39/34/1032663934.db2.gz NUIFVQKXWJYLOY-OAHLLOKOSA-N 1 0 375.787 3.912 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cc(F)cc(F)c4)C3)C2)c1 ZINC001204231421 1032677656 /nfs/dbraw/zinc/67/76/56/1032677656.db2.gz SVXCAIRLCAUBKN-HSZRJFAPSA-N 1 0 397.469 3.955 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000558009739 1017090553 /nfs/dbraw/zinc/09/05/53/1017090553.db2.gz AFVLBPCXGQPSSD-PGRDOPGGSA-N 1 0 389.499 3.836 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(OCC)c3F)C2)C1=O ZINC001276454878 1032719378 /nfs/dbraw/zinc/71/93/78/1032719378.db2.gz XOYZKPJWFZGKRP-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000929860433 1017745691 /nfs/dbraw/zinc/74/56/91/1017745691.db2.gz BADKOSKZAVGCIN-HXUWFJFHSA-N 1 0 392.503 3.890 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccc(Cl)cc1 ZINC000562049540 1018018332 /nfs/dbraw/zinc/01/83/32/1018018332.db2.gz VARPICDCNMCQEA-AZUAARDMSA-N 1 0 393.878 3.797 20 30 GHEDRO N#Cc1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000562091106 1018037362 /nfs/dbraw/zinc/03/73/62/1018037362.db2.gz GWTRHLUKAFCCQV-RTBURBONSA-N 1 0 378.451 3.683 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000562548473 1018302858 /nfs/dbraw/zinc/30/28/58/1018302858.db2.gz ZHICSNXYAYSWQN-VLCRHTCISA-N 1 0 379.504 3.753 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]3Cn3cnc4ccccc43)C2=O)cc1 ZINC000562620196 1018414757 /nfs/dbraw/zinc/41/47/57/1018414757.db2.gz QLEIWKMMDVXFTQ-NFBKMPQASA-N 1 0 399.498 3.568 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cc(Cl)cc(Cl)c1F ZINC000932566322 1018466366 /nfs/dbraw/zinc/46/63/66/1018466366.db2.gz BUYOTNAQAPRJLZ-WCQYABFASA-N 1 0 375.271 3.854 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(CCC#N)cc2)CC1 ZINC000932573763 1018474268 /nfs/dbraw/zinc/47/42/68/1018474268.db2.gz ZPQIHFDQEBIDTK-QGZVFWFLSA-N 1 0 377.492 3.885 20 30 GHEDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000562726683 1018578954 /nfs/dbraw/zinc/57/89/54/1018578954.db2.gz BWGZVCXYHFUGOK-IAGOWNOFSA-N 1 0 398.551 3.619 20 30 GHEDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000562726685 1018579233 /nfs/dbraw/zinc/57/92/33/1018579233.db2.gz BWGZVCXYHFUGOK-SJORKVTESA-N 1 0 398.551 3.619 20 30 GHEDRO N#CC1(NC(=O)/C=C\SCc2ccco2)CC[NH+](Cc2ccccc2)CC1 ZINC000778110963 1018595289 /nfs/dbraw/zinc/59/52/89/1018595289.db2.gz PGNSDNFCBSOPLO-ZSOIEALJSA-N 1 0 381.501 3.701 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1 ZINC000932818399 1018689269 /nfs/dbraw/zinc/68/92/69/1018689269.db2.gz SUZBEQRJWIUPJT-SFHVURJKSA-N 1 0 381.476 3.876 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000563618625 1018936114 /nfs/dbraw/zinc/93/61/14/1018936114.db2.gz YXVJHZJNVDOXQS-UHFFFAOYSA-N 1 0 376.909 3.553 20 30 GHEDRO CC(C)c1ccc(O[C@@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000564869398 1019121350 /nfs/dbraw/zinc/12/13/50/1019121350.db2.gz WFJZMWAESJIVFX-KRWDZBQOSA-N 1 0 386.517 3.512 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567313785 1019282197 /nfs/dbraw/zinc/28/21/97/1019282197.db2.gz KTCDZGMYXFPVJN-QFIPXVFZSA-N 1 0 398.514 3.713 20 30 GHEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000569484601 1019496525 /nfs/dbraw/zinc/49/65/25/1019496525.db2.gz ASTCHUKASZWQHM-QGZVFWFLSA-N 1 0 398.308 3.817 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)CC2 ZINC000570011641 1019549470 /nfs/dbraw/zinc/54/94/70/1019549470.db2.gz BGJNPAPJFKJNOY-QRWLVFNGSA-N 1 0 385.305 3.749 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2ccc(C#N)c(C)c2)cc1OC ZINC000571743292 1019705421 /nfs/dbraw/zinc/70/54/21/1019705421.db2.gz AEISGEXCHZZOGD-UHFFFAOYSA-N 1 0 394.519 3.559 20 30 GHEDRO Cn1cc([C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc2)cn1 ZINC000575258426 1019931503 /nfs/dbraw/zinc/93/15/03/1019931503.db2.gz CGVBGQPFGYCTRB-HRTMPFAESA-N 1 0 387.487 3.756 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000577423386 1020183176 /nfs/dbraw/zinc/18/31/76/1020183176.db2.gz HWOPCWUDXTUHBY-KRWDZBQOSA-N 1 0 393.491 3.737 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000577423388 1020183207 /nfs/dbraw/zinc/18/32/07/1020183207.db2.gz HWOPCWUDXTUHBY-QGZVFWFLSA-N 1 0 393.491 3.737 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC2(c3cccc(Cl)c3)CCCC2)CCOCC1 ZINC000600720396 1020224041 /nfs/dbraw/zinc/22/40/41/1020224041.db2.gz PDEGTOWJZYAWAF-IBGZPJMESA-N 1 0 376.928 3.813 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C1CC1)C2 ZINC000600788665 1020254643 /nfs/dbraw/zinc/25/46/43/1020254643.db2.gz FTZOJBGWRIYJMK-LOSJGSFVSA-N 1 0 399.538 3.796 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)nn(-c3ccccc3)c1C)C2 ZINC001204449926 1032892441 /nfs/dbraw/zinc/89/24/41/1032892441.db2.gz YKLTWLKNGXWUPC-FYYLOGMGSA-N 1 0 381.520 3.815 20 30 GHEDRO C=CC[C@H](NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000779353456 1020739482 /nfs/dbraw/zinc/73/94/82/1020739482.db2.gz YQPWDXFYFTXLQP-COPCDDAFSA-N 1 0 378.520 3.909 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)ccc3F)C2)C1=O ZINC001204498009 1032929410 /nfs/dbraw/zinc/92/94/10/1032929410.db2.gz WLBJTWSOXPORIM-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO Cc1cc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)nn1-c1cccc(C#N)c1 ZINC000779931395 1020974569 /nfs/dbraw/zinc/97/45/69/1020974569.db2.gz VKRWQOBTKKQHFZ-UHFFFAOYSA-N 1 0 391.519 3.579 20 30 GHEDRO N#Cc1ccc(-c2ccn(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2)cc1 ZINC000795715874 1021099943 /nfs/dbraw/zinc/09/99/43/1021099943.db2.gz HDOBTEZIBUABKD-RUZDIDTESA-N 1 0 397.526 3.977 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(F)ccc1Br)C2 ZINC001204541276 1032959843 /nfs/dbraw/zinc/95/98/43/1032959843.db2.gz HTYJWHKFLOFJKF-FUHWJXTLSA-N 1 0 384.289 3.914 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)cc(Cl)c1N ZINC001626150555 1021285495 /nfs/dbraw/zinc/28/54/95/1021285495.db2.gz OVDDWZWTKKWODM-UHFFFAOYSA-N 1 0 391.302 3.651 20 30 GHEDRO CCOc1ccc2[nH]cc(C[N@@H+]3CCCN(c4ccc(C#N)cn4)CC3)c2c1 ZINC001140270334 1021294806 /nfs/dbraw/zinc/29/48/06/1021294806.db2.gz HMDZLTUHQJCDLQ-UHFFFAOYSA-N 1 0 375.476 3.546 20 30 GHEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140282069 1021310917 /nfs/dbraw/zinc/31/09/17/1021310917.db2.gz ZHRMXFGIDDOTST-UHFFFAOYSA-N 1 0 375.516 3.705 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3[nH]nc4ccc(C)cc43)CC2)C1 ZINC001140327735 1021412704 /nfs/dbraw/zinc/41/27/04/1021412704.db2.gz GDASVMHOYJHTCO-UHFFFAOYSA-N 1 0 382.508 3.872 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000834904369 1021655535 /nfs/dbraw/zinc/65/55/35/1021655535.db2.gz PCVOAOAAHYPEQR-AZUAARDMSA-N 1 0 385.508 3.551 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c2cc(C#N)ccc21 ZINC001140437588 1021705234 /nfs/dbraw/zinc/70/52/34/1021705234.db2.gz LOTQRSYSDPSECJ-HKUYNNGSSA-N 1 0 387.455 3.591 20 30 GHEDRO C[NH+](C)C[C@](C)(CN=Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000834951682 1021724300 /nfs/dbraw/zinc/72/43/00/1021724300.db2.gz DJXXWRFQYNZFJP-IBGZPJMESA-N 1 0 395.475 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[N@@H+]3CCC[C@@H](CC#N)C3)c2)CC1 ZINC001140520643 1021912637 /nfs/dbraw/zinc/91/26/37/1021912637.db2.gz FPXUUVCBGPPXSR-IBGZPJMESA-N 1 0 398.551 3.869 20 30 GHEDRO Cc1cc(Cl)nc(N2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)c1C#N ZINC001156464707 1033046853 /nfs/dbraw/zinc/04/68/53/1033046853.db2.gz UPPJBGZVKFWHHP-OAHLLOKOSA-N 1 0 380.996 3.786 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@@H](CCO)c2cccs2)sc2c1CCCCC2 ZINC000754393428 1022670033 /nfs/dbraw/zinc/67/00/33/1022670033.db2.gz FHDMMPIGAFWTBB-HNNXBMFYSA-N 1 0 389.546 3.602 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(OC(F)(F)F)c(F)c3)CC2)nc1 ZINC001140886823 1022797159 /nfs/dbraw/zinc/79/71/59/1022797159.db2.gz IQEWAMSDCJRNBP-UHFFFAOYSA-N 1 0 394.372 3.703 20 30 GHEDRO CCOC(=O)c1cc(C)nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C#N ZINC001156529820 1033087199 /nfs/dbraw/zinc/08/71/99/1033087199.db2.gz GLQOTRADVZBNLY-HXUWFJFHSA-N 1 0 378.476 3.687 20 30 GHEDRO Cc1nc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c(C#N)cc1Br ZINC001228803077 1033105261 /nfs/dbraw/zinc/10/52/61/1033105261.db2.gz SNGGXYNBCFYHHC-DZGCQCFKSA-N 1 0 387.281 3.634 20 30 GHEDRO Cc1nc(O[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)cc1Br ZINC001228803126 1033105375 /nfs/dbraw/zinc/10/53/75/1033105375.db2.gz TZBGKDGQYISOGU-UGSOOPFHSA-N 1 0 386.293 3.924 20 30 GHEDRO S=C(NN=Cc1cccc2[nH]ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000755512903 1023279059 /nfs/dbraw/zinc/27/90/59/1023279059.db2.gz XPUBAGIRBBKEFG-UHFFFAOYSA-N 1 0 391.544 3.631 20 30 GHEDRO C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755871586 1023411608 /nfs/dbraw/zinc/41/16/08/1023411608.db2.gz PVFQCVLHHKMKFJ-LVCYWYKZSA-N 1 0 378.472 3.779 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2-n2ccc3cc(C[NH3+])cnc32)cc1 ZINC001156609573 1033130392 /nfs/dbraw/zinc/13/03/92/1033130392.db2.gz UHLUDZSNZKDENN-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000755982414 1023463518 /nfs/dbraw/zinc/46/35/18/1023463518.db2.gz HJGIOGSUXHFQTF-XZOQPEGZSA-N 1 0 391.515 3.543 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCN(Cc2sc(N)c(C#N)c2Cl)CCC1 ZINC001141113573 1023529205 /nfs/dbraw/zinc/52/92/05/1023529205.db2.gz KVCMRNRKZLAWCN-UHFFFAOYSA-N 1 0 384.933 3.688 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141140063 1023569719 /nfs/dbraw/zinc/56/97/19/1023569719.db2.gz HVQSAZZMHVPPJM-UHFFFAOYSA-N 1 0 399.535 3.516 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC001156668911 1033172312 /nfs/dbraw/zinc/17/23/12/1033172312.db2.gz ZYKDVDVOICZLDM-QHCPKHFHSA-N 1 0 390.531 3.960 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001156672216 1033174402 /nfs/dbraw/zinc/17/44/02/1033174402.db2.gz JQVVEPHRLFQNCM-UHFFFAOYSA-N 1 0 391.968 3.896 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1nccc2c(Br)cccc21 ZINC001156672774 1033174698 /nfs/dbraw/zinc/17/46/98/1033174698.db2.gz XOYFLKMFMHRWNY-UHFFFAOYSA-N 1 0 376.298 3.577 20 30 GHEDRO Cc1ccc([C@@H](c2nc(-c3ccc(C#N)c(C)c3)no2)N2CCC[NH2+]CC2)cc1 ZINC001204975645 1033189730 /nfs/dbraw/zinc/18/97/30/1033189730.db2.gz JRWLQZMQFMJFGN-NRFANRHFSA-N 1 0 387.487 3.610 20 30 GHEDRO CN(C(=O)c1ccccc1SCC#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837185169 1024205082 /nfs/dbraw/zinc/20/50/82/1024205082.db2.gz TVVPJLKACWLNAL-UHFFFAOYSA-N 1 0 385.455 3.791 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C12CCCC2 ZINC000831021996 1024313028 /nfs/dbraw/zinc/31/30/28/1024313028.db2.gz PLUJTRMOCXGZRJ-OALUTQOASA-N 1 0 385.508 3.503 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(NC(=O)C4CC4)CC3)cc2)cc1 ZINC001141293854 1024426322 /nfs/dbraw/zinc/42/63/22/1024426322.db2.gz MHAAAHJRXAOHTH-UHFFFAOYSA-N 1 0 375.472 3.841 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc3c(cc1Cl)OCO3)C2 ZINC001138240932 1024447144 /nfs/dbraw/zinc/44/71/44/1024447144.db2.gz LGTBTOAEKYNTOO-VQTJNVASSA-N 1 0 379.884 3.642 20 30 GHEDRO COc1cc2cccnc2c(N(c2cc(OC)c(C#N)cn2)[C@@H](C)CCC[NH3+])c1 ZINC001156749468 1033220907 /nfs/dbraw/zinc/22/09/07/1033220907.db2.gz ATFQKYCICPBTRX-HNNXBMFYSA-N 1 0 391.475 3.784 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC001138498778 1024930309 /nfs/dbraw/zinc/93/03/09/1024930309.db2.gz FPZRIUXRXRYKCZ-UHFFFAOYSA-N 1 0 375.516 3.850 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC001138557714 1025020058 /nfs/dbraw/zinc/02/00/58/1025020058.db2.gz FQUDNNJEMFGDOT-QFIPXVFZSA-N 1 0 397.469 3.831 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001138629989 1025131357 /nfs/dbraw/zinc/13/13/57/1025131357.db2.gz MJSDQDKBHYJGEB-MRXNPFEDSA-N 1 0 382.451 3.855 20 30 GHEDRO C=CCc1cccc(C[N@@H+](CCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001138629741 1025131897 /nfs/dbraw/zinc/13/18/97/1025131897.db2.gz IESIZPIHUVZLRK-IBGZPJMESA-N 1 0 390.524 3.579 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC001138648885 1025161412 /nfs/dbraw/zinc/16/14/12/1025161412.db2.gz GTLLLTYOUBEFTI-QFIPXVFZSA-N 1 0 382.483 3.545 20 30 GHEDRO C=CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccncc1 ZINC000838479110 1025161720 /nfs/dbraw/zinc/16/17/20/1025161720.db2.gz ZKHPFFCNKGNRNX-KNQAVFIVSA-N 1 0 378.520 3.862 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001138660911 1025181520 /nfs/dbraw/zinc/18/15/20/1025181520.db2.gz HNUOHMQAKACNCU-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001141546854 1025469741 /nfs/dbraw/zinc/46/97/41/1025469741.db2.gz KUGUFXCZCLSYSZ-IBGZPJMESA-N 1 0 396.535 3.677 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161988236 1025522262 /nfs/dbraw/zinc/52/22/62/1025522262.db2.gz FDACMNBTEYAIJY-UHFFFAOYSA-N 1 0 394.828 3.831 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)CCCc2cccnc2)cc1C ZINC000839146903 1025641891 /nfs/dbraw/zinc/64/18/91/1025641891.db2.gz ZRAOKCCATUMLNR-FQEVSTJZSA-N 1 0 378.520 3.946 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001162183523 1025653845 /nfs/dbraw/zinc/65/38/45/1025653845.db2.gz VTVUHNCEHPMXCQ-HDJSIYSDSA-N 1 0 379.961 3.990 20 30 GHEDRO N#Cc1ccc(NCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)nc1 ZINC001461027471 1069344697 /nfs/dbraw/zinc/34/46/97/1069344697.db2.gz AMTJBHQFUHHRBL-UHFFFAOYSA-N 1 0 383.455 3.606 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001139012746 1025765612 /nfs/dbraw/zinc/76/56/12/1025765612.db2.gz TXKLPSBCHYZZBE-GOSISDBHSA-N 1 0 383.414 3.711 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001139032406 1025804121 /nfs/dbraw/zinc/80/41/21/1025804121.db2.gz MTKRSQGRMFGUFI-UHFFFAOYSA-N 1 0 391.515 3.804 20 30 GHEDRO COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001141604645 1025847377 /nfs/dbraw/zinc/84/73/77/1025847377.db2.gz IFQFWXWWUWZNGS-KBPBESRZSA-N 1 0 389.311 3.941 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)cnc2Cl)c1 ZINC001162800960 1025922124 /nfs/dbraw/zinc/92/21/24/1025922124.db2.gz FWOQJCGPIDRDFF-BMGDILEWSA-N 1 0 386.833 3.687 20 30 GHEDRO N#Cc1c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc(Cl)cc1C(F)(F)F ZINC001162956115 1025984268 /nfs/dbraw/zinc/98/42/68/1025984268.db2.gz KJPFEZALBMKMSW-NSHDSACASA-N 1 0 388.821 3.586 20 30 GHEDRO CCc1nnc(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c(C#N)c1CC ZINC001163029890 1026014064 /nfs/dbraw/zinc/01/40/64/1026014064.db2.gz JYQDQILMUCPYHD-OAQYLSRUSA-N 1 0 375.520 3.960 20 30 GHEDRO CCOC(=O)c1cnc(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c(C#N)c1 ZINC001163034732 1026017129 /nfs/dbraw/zinc/01/71/29/1026017129.db2.gz VPPMSEJMUZNHRV-HXUWFJFHSA-N 1 0 390.487 3.617 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163090125 1026037801 /nfs/dbraw/zinc/03/78/01/1026037801.db2.gz QXUDTJCGELCLHG-SNVBAGLBSA-N 1 0 395.265 3.733 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(N(C)C)cc1 ZINC000839563179 1026062398 /nfs/dbraw/zinc/06/23/98/1026062398.db2.gz HNEYWWKAXIWIDH-CQSZACIVSA-N 1 0 382.533 3.854 20 30 GHEDRO C[C@H]1CN(Cc2cc(C#N)ccc2Br)CCC[C@@]1(O)C(F)(F)F ZINC001141654546 1026090618 /nfs/dbraw/zinc/09/06/18/1026090618.db2.gz CERLPAIZDUGDBE-NHYWBVRUSA-N 1 0 391.231 3.846 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163279841 1026122680 /nfs/dbraw/zinc/12/26/80/1026122680.db2.gz PKYOIFCREUKNDM-KXBFYZLASA-N 1 0 377.992 3.535 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000839624255 1026127999 /nfs/dbraw/zinc/12/79/99/1026127999.db2.gz DUFYWSVNJPUPDS-MRXNPFEDSA-N 1 0 378.501 3.585 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000839637105 1026142101 /nfs/dbraw/zinc/14/21/01/1026142101.db2.gz DBDYODRKMLKXHG-SFTDATJTSA-N 1 0 399.535 3.843 20 30 GHEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccc(N3CCC(O)CC3)s2)CC1 ZINC001139289390 1026142554 /nfs/dbraw/zinc/14/25/54/1026142554.db2.gz RNRTVJCWNXGMPF-UHFFFAOYSA-N 1 0 381.545 3.767 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1ccc2[nH]c(C#N)cc2n1)c1ccc(Cl)cc1 ZINC001163384619 1026169439 /nfs/dbraw/zinc/16/94/39/1026169439.db2.gz LJPZBKLASCXFPY-IBGZPJMESA-N 1 0 383.883 3.819 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001163473813 1026207118 /nfs/dbraw/zinc/20/71/18/1026207118.db2.gz WUJWICHUUDRHTQ-UHFFFAOYSA-N 1 0 394.410 3.680 20 30 GHEDRO C=CCn1cnc2nc(Nc3ccc([C@@H]4CCCC[N@H+]4CCC)cn3)[nH]c(=O)c21 ZINC001163498676 1026215829 /nfs/dbraw/zinc/21/58/29/1026215829.db2.gz XTDRLZOJMYWLBV-INIZCTEOSA-N 1 0 393.495 3.794 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCc2ccccc21 ZINC001139382572 1026251022 /nfs/dbraw/zinc/25/10/22/1026251022.db2.gz YTGNTYJFDKTGLL-SELNLUPBSA-N 1 0 375.516 3.818 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCN(c4ccccc4C#N)CC3)cc2)c1 ZINC001139400366 1026270484 /nfs/dbraw/zinc/27/04/84/1026270484.db2.gz PZTLYRBBTZLAQN-UHFFFAOYSA-N 1 0 379.467 3.814 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2cccc(C[NH+](C)C)c2)n1 ZINC001163992779 1026379612 /nfs/dbraw/zinc/37/96/12/1026379612.db2.gz CNWMEGACMUKKPA-ZGWHGSPESA-N 1 0 386.565 3.945 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)cc1F ZINC001139527997 1026385877 /nfs/dbraw/zinc/38/58/77/1026385877.db2.gz KCNIRPRNRIFNFR-DHIUTWEWSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)n3cnc4c3C[NH2+]CC4)cnc2Cl)c1 ZINC001164317887 1026483676 /nfs/dbraw/zinc/48/36/76/1026483676.db2.gz ZQKCLPDPQPVLLS-UHFFFAOYSA-N 1 0 385.805 3.713 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)c1 ZINC001139649225 1026511065 /nfs/dbraw/zinc/51/10/65/1026511065.db2.gz STLUQUACZKHGSC-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001139649022 1026511214 /nfs/dbraw/zinc/51/12/14/1026511214.db2.gz KBXYCAJAKSNVQP-HSZRJFAPSA-N 1 0 397.469 3.955 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cccc(Cl)c3C#N)C[C@H]12 ZINC001139689721 1026540977 /nfs/dbraw/zinc/54/09/77/1026540977.db2.gz TYIJAPBGYBVOSO-GOTSBHOMSA-N 1 0 393.918 3.976 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c3c1cccc3C#N)[C@H]2CC ZINC001139702942 1026547671 /nfs/dbraw/zinc/54/76/71/1026547671.db2.gz IFQWPFAUWWKOQB-REWPJTCUSA-N 1 0 376.504 3.961 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CCC[C@@H](NC(=O)c4cccc(F)c4)C3)c[nH]c21 ZINC001139706968 1026552689 /nfs/dbraw/zinc/55/26/89/1026552689.db2.gz LVWHFTXRDFBWLP-LJQANCHMSA-N 1 0 376.435 3.573 20 30 GHEDRO C[NH+]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C[C@@H]2C1 ZINC001165147325 1026634423 /nfs/dbraw/zinc/63/44/23/1026634423.db2.gz DTEDNTTYSWQOIV-HOTGVXAUSA-N 1 0 388.849 3.816 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cc(F)cc(C#N)c4)C3)C2=O)c1 ZINC001139877079 1026693435 /nfs/dbraw/zinc/69/34/35/1026693435.db2.gz WZWILCZXNIOQEA-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001165431634 1026726546 /nfs/dbraw/zinc/72/65/46/1026726546.db2.gz CSSXBGVOUYESAP-PWSUYJOCSA-N 1 0 379.266 3.926 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(Cc1cnc(Br)s1)[C@@H]2CC ZINC001139914546 1026727513 /nfs/dbraw/zinc/72/75/13/1026727513.db2.gz VYGQLZHWVHCRGJ-PBHICJAKSA-N 1 0 398.370 3.827 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C)nc3Br)CC2)C1=O ZINC001276406434 1026732183 /nfs/dbraw/zinc/73/21/83/1026732183.db2.gz FRWMWFLFXRVXOE-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO Cc1ccc(CC#N)c(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165478816 1026740954 /nfs/dbraw/zinc/74/09/54/1026740954.db2.gz IXSJBPNQKOOETO-IFMALSPDSA-N 1 0 380.467 3.644 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccccc1-n1ccnc1C)C2 ZINC001140026435 1026814630 /nfs/dbraw/zinc/81/46/30/1026814630.db2.gz YNXZRIFUMLOMKX-PKTZIBPZSA-N 1 0 381.520 3.754 20 30 GHEDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001203000365 1026862099 /nfs/dbraw/zinc/86/20/99/1026862099.db2.gz MTNGYHRMVSBWFL-UHFFFAOYSA-N 1 0 378.476 3.838 20 30 GHEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1 ZINC001203000960 1026868555 /nfs/dbraw/zinc/86/85/55/1026868555.db2.gz YPUIANOKOMWXFV-HNNXBMFYSA-N 1 0 384.314 3.501 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C2)C1 ZINC001140111046 1026892236 /nfs/dbraw/zinc/89/22/36/1026892236.db2.gz XNHIQDZSPYBDGP-QFIPXVFZSA-N 1 0 378.476 3.650 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)c2c1 ZINC001140113619 1026894721 /nfs/dbraw/zinc/89/47/21/1026894721.db2.gz AOHBPDOHOSAQSM-IBGZPJMESA-N 1 0 390.531 3.948 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]12 ZINC001140114114 1026896276 /nfs/dbraw/zinc/89/62/76/1026896276.db2.gz PABUIBXJTOQNSK-RPBOFIJWSA-N 1 0 398.510 3.804 20 30 GHEDRO CCN1CC[C@@]2(C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2c2ccccc2)C1=O ZINC001140114667 1026897016 /nfs/dbraw/zinc/89/70/16/1026897016.db2.gz ZCCJBJWCJMDERV-RDGATRHJSA-N 1 0 398.510 3.878 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140139884 1026914148 /nfs/dbraw/zinc/91/41/48/1026914148.db2.gz OSBUJCVSPDRSTN-SFHVURJKSA-N 1 0 391.487 3.545 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cccc5cnccc54)C3)CC2=O)c1 ZINC001140144594 1026920225 /nfs/dbraw/zinc/92/02/25/1026920225.db2.gz KOWYLSMOUJUDBC-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO CS(=O)(=O)N(c1ccc(C2(C#N)CCCCC2)cc1)c1cccc(C[NH3+])c1 ZINC001166485552 1027012743 /nfs/dbraw/zinc/01/27/43/1027012743.db2.gz OXVMVSCGKLSHPE-UHFFFAOYSA-N 1 0 383.517 3.968 20 30 GHEDRO C=CCOc1cc(C)nc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)n1 ZINC001166495246 1027014341 /nfs/dbraw/zinc/01/43/41/1027014341.db2.gz IXLBMVAGHOKTOQ-UHFFFAOYSA-N 1 0 387.443 3.861 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](C3CCC3)C2)c1=S ZINC000840189493 1027330527 /nfs/dbraw/zinc/33/05/27/1027330527.db2.gz QLASKJNKUCJVKU-LJQANCHMSA-N 1 0 389.613 3.708 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c(OC)c1OC ZINC001203471324 1027361556 /nfs/dbraw/zinc/36/15/56/1027361556.db2.gz KDEVLIUBXIPARS-LJQANCHMSA-N 1 0 382.460 3.627 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cccc(OCC)c3O)CC2)C1 ZINC001203602226 1027466810 /nfs/dbraw/zinc/46/68/10/1027466810.db2.gz JYRODBOTPHEFLU-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO CCOC(=O)C1CC[NH+](Cc2cccc(Nc3ccc(O)c(C#N)c3)c2)CC1 ZINC001210533443 1027547234 /nfs/dbraw/zinc/54/72/34/1027547234.db2.gz ZRJIFRBEBNNATR-UHFFFAOYSA-N 1 0 379.460 3.783 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C(F)(F)F)C1 ZINC001203756878 1027580390 /nfs/dbraw/zinc/58/03/90/1027580390.db2.gz FCTZEYVZDOIRTC-VQIMIIECSA-N 1 0 395.425 3.789 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc(OC)c1OC ZINC001203849736 1027655724 /nfs/dbraw/zinc/65/57/24/1027655724.db2.gz SIRKKWUNBMMRQD-IBGZPJMESA-N 1 0 382.460 3.627 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc(OC)c1OC ZINC001203849738 1027656168 /nfs/dbraw/zinc/65/61/68/1027656168.db2.gz SIRKKWUNBMMRQD-LJQANCHMSA-N 1 0 382.460 3.627 20 30 GHEDRO CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccc(C)cc21 ZINC001203901058 1027694316 /nfs/dbraw/zinc/69/43/16/1027694316.db2.gz FDYJEUZKVPEKSX-QFIPXVFZSA-N 1 0 388.515 3.774 20 30 GHEDRO CC(C)(C)OC(=O)NC1CC[NH+](C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001203905861 1027698403 /nfs/dbraw/zinc/69/84/03/1027698403.db2.gz GERFHJPTWLONII-UHFFFAOYSA-N 1 0 398.551 3.512 20 30 GHEDRO CCOc1cccc(/C=N/C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1O ZINC000840711288 1027750122 /nfs/dbraw/zinc/75/01/22/1027750122.db2.gz XWRPCDBFBAMABZ-BUVRLJJBSA-N 1 0 395.503 3.833 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)cc1OC ZINC001461335470 1069505653 /nfs/dbraw/zinc/50/56/53/1069505653.db2.gz ZMHZAQYZXGQZMS-KBPBESRZSA-N 1 0 384.314 3.927 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000841179032 1028251412 /nfs/dbraw/zinc/25/14/12/1028251412.db2.gz LWRLVMIJNAZJHG-VDZJLULYSA-N 1 0 396.466 3.631 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)cc2)CC1 ZINC001461358741 1069517558 /nfs/dbraw/zinc/51/75/58/1069517558.db2.gz JXLBGIBSDQLXEV-INIZCTEOSA-N 1 0 383.854 3.929 20 30 GHEDRO CCOc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(F)cc1OC ZINC001461428963 1069544945 /nfs/dbraw/zinc/54/49/45/1069544945.db2.gz AVXBFVWDMVGFDX-UHFFFAOYSA-N 1 0 394.450 3.795 20 30 GHEDRO C[NH+](C)C[C@@H](NCc1cc(C#N)ccc1Br)c1ccc(F)cc1 ZINC001461555585 1069607695 /nfs/dbraw/zinc/60/76/95/1069607695.db2.gz UULNJEPRSAGJJG-GOSISDBHSA-N 1 0 376.273 3.852 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC(NC(=O)c4cccc(F)c4)CC3)c[nH]c2c1 ZINC001142926499 1029701792 /nfs/dbraw/zinc/70/17/92/1029701792.db2.gz SGNBRWZKMZSYIL-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO N#Cc1ccc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC000404188564 1029710366 /nfs/dbraw/zinc/71/03/66/1029710366.db2.gz LTHPQRPJBUVASC-FCHUYYIVSA-N 1 0 381.907 3.687 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@@H]21 ZINC001143170659 1029880920 /nfs/dbraw/zinc/88/09/20/1029880920.db2.gz JEOCCFXFQOKVSP-ZWCUEREDSA-N 1 0 396.485 3.964 20 30 GHEDRO C[C@@H]1CCN(Cc2cc(F)cc(OC(F)(F)F)c2)C[C@@]1(O)C(F)(F)F ZINC001143256364 1029951763 /nfs/dbraw/zinc/95/17/63/1029951763.db2.gz JLKKXGYMVWOMHD-RNCFNFMXSA-N 1 0 375.284 3.860 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(F)c(OC)c1F)[C@H]2CC ZINC001143315098 1030023018 /nfs/dbraw/zinc/02/30/18/1030023018.db2.gz XIQQCUYYOIRDSD-UWJYYQICSA-N 1 0 378.463 3.895 20 30 GHEDRO CO/N=C/c1ccc(-c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)cc1 ZINC001217065442 1030139404 /nfs/dbraw/zinc/13/94/04/1030139404.db2.gz VBEKCXAODWCCLM-NAAZAUSASA-N 1 0 375.432 3.845 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217951197 1030684341 /nfs/dbraw/zinc/68/43/41/1030684341.db2.gz TZWRTLCKTBHNBR-VQTJNVASSA-N 1 0 397.446 3.868 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001217985097 1030705342 /nfs/dbraw/zinc/70/53/42/1030705342.db2.gz DJGSAAWUCXAZMY-TVQRCGJNSA-N 1 0 388.103 3.850 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CCC[NH2+]C[C@H]2C)c1 ZINC001217990063 1030707914 /nfs/dbraw/zinc/70/79/14/1030707914.db2.gz OAGFNEOLLKFSPI-ZXIJFUCCSA-N 1 0 397.471 3.769 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CCC[NH2+]CC2)c1 ZINC001218000169 1030715495 /nfs/dbraw/zinc/71/54/95/1030715495.db2.gz OEFVYYANMNYIDE-SFHVURJKSA-N 1 0 379.456 3.920 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)c(OC)c1 ZINC001218002609 1030716987 /nfs/dbraw/zinc/71/69/87/1030716987.db2.gz RDJRJPARDFVAQG-SLLDUXSESA-N 1 0 377.456 3.506 20 30 GHEDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001218033617 1030733895 /nfs/dbraw/zinc/73/38/95/1030733895.db2.gz FSLHKXRZKVLDIR-AFVLYDJWSA-N 1 0 395.455 3.523 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218084919 1030763060 /nfs/dbraw/zinc/76/30/60/1030763060.db2.gz LEGZVQUYXSWGCG-SIHGLMNESA-N 1 0 391.515 3.841 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2c(cccc2Br)[nH]1 ZINC001276922427 1030764816 /nfs/dbraw/zinc/76/48/16/1030764816.db2.gz BLBXAQOQWSZDNG-QZTJIDSGSA-N 1 0 388.309 3.682 20 30 GHEDRO CC1(C)CCC2=C(O1)C(=O)c1c(O[C@@H]3CCC[C@]34CC[NH2+]C4)cccc1C2=O ZINC001218097489 1030770540 /nfs/dbraw/zinc/77/05/40/1030770540.db2.gz VBOKRSGYIJWKBH-UZUQRXQVSA-N 1 0 381.472 3.820 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1OC ZINC001218135836 1030791666 /nfs/dbraw/zinc/79/16/66/1030791666.db2.gz HEOBYTINQQBSKD-JNBVWIIYSA-N 1 0 393.483 3.977 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)c2ccc(Br)cc2n1 ZINC001218202563 1030827077 /nfs/dbraw/zinc/82/70/77/1030827077.db2.gz MPTZNJWAWCFCGA-SDBXPKJASA-N 1 0 386.171 3.506 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(C(=O)CCc2ccc(OC)cc2OC)cc1 ZINC001218206992 1030829665 /nfs/dbraw/zinc/82/96/65/1030829665.db2.gz FSNIXNPVAAJCRG-QHCPKHFHSA-N 1 0 381.472 3.816 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)ccc1CCCc1ccc(OC)c(O)c1 ZINC001218211031 1030833406 /nfs/dbraw/zinc/83/34/06/1030833406.db2.gz OYELCPQEDUPIAH-QHCPKHFHSA-N 1 0 383.488 3.882 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)c(CCC(=O)c2ccc(O)cc2)c(OC)c1 ZINC001218210401 1030833475 /nfs/dbraw/zinc/83/34/75/1030833475.db2.gz BKCGYQJJWFSVPA-QHCPKHFHSA-N 1 0 397.471 3.522 20 30 GHEDRO C=CCc1c(O[C@@H]2CC[NH2+]CC2(C)C)c2cccnc2n(-c2ccccc2)c1=O ZINC001218318516 1030890969 /nfs/dbraw/zinc/89/09/69/1030890969.db2.gz ZKVLQDBMPMKOIB-HXUWFJFHSA-N 1 0 389.499 3.881 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224171019 1030912145 /nfs/dbraw/zinc/91/21/45/1030912145.db2.gz VWDMGDJSNJASHC-LJQANCHMSA-N 1 0 382.435 3.665 20 30 GHEDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O ZINC001218416366 1030930808 /nfs/dbraw/zinc/93/08/08/1030930808.db2.gz SGHTUDNSKTTYDI-SXHWWOIDSA-N 1 0 379.504 3.697 20 30 GHEDRO CO[C@H]([C@@H](C)C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N)[C@@H]1CCC[NH2+]1 ZINC001218542434 1030980607 /nfs/dbraw/zinc/98/06/07/1030980607.db2.gz SVGQXAQDBILIAY-XFHNUULXSA-N 1 0 387.480 3.767 20 30 GHEDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC001151738606 1030987748 /nfs/dbraw/zinc/98/77/48/1030987748.db2.gz JEMVFLXRTAJBDU-NRFANRHFSA-N 1 0 385.577 3.904 20 30 GHEDRO N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2cc(Br)nc3ccccc32)cc1 ZINC001218643420 1031016610 /nfs/dbraw/zinc/01/66/10/1031016610.db2.gz ATFAASXGXMGAFR-OAHLLOKOSA-N 1 0 395.260 3.898 20 30 GHEDRO N#Cc1c2ccccc2sc1NC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001218648924 1031019129 /nfs/dbraw/zinc/01/91/29/1031019129.db2.gz NPOOKKHWOVBSMJ-QGZVFWFLSA-N 1 0 393.468 3.562 20 30 GHEDRO C#CCN(C(=O)NCCn1c2ccccc2c2ccccc21)C1CC[NH+](C)CC1 ZINC001224774042 1031111331 /nfs/dbraw/zinc/11/13/31/1031111331.db2.gz VEQYRGKZLYENMY-UHFFFAOYSA-N 1 0 388.515 3.534 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)c1Br ZINC001218906408 1031144817 /nfs/dbraw/zinc/14/48/17/1031144817.db2.gz SQEJXDJTXLRCNV-KDOFPFPSSA-N 1 0 398.304 3.789 20 30 GHEDRO N#Cc1cc(NC(=O)c2cccc(O[C@@H]3CC[NH2+]C3)c2)ccc1N1CCCCC1 ZINC001218946718 1031170685 /nfs/dbraw/zinc/17/06/85/1031170685.db2.gz CRXOXFITNKZNOV-OAQYLSRUSA-N 1 0 390.487 3.542 20 30 GHEDRO N#Cc1cc(F)c(NC(=O)[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC001218996321 1031200150 /nfs/dbraw/zinc/20/01/50/1031200150.db2.gz XGQKBUOHQOZUAC-CQSZACIVSA-N 1 0 385.748 3.878 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCCCOc3cccc(C#N)c3)C2)cc1 ZINC001152411299 1031225217 /nfs/dbraw/zinc/22/52/17/1031225217.db2.gz OBAGDGCFAZXKSM-JOCHJYFZSA-N 1 0 391.515 3.807 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN2Cc2cc(Br)cc(OC)c2)C1=O ZINC001277017939 1031247406 /nfs/dbraw/zinc/24/74/06/1031247406.db2.gz JGKXZDIEZYQRKA-LJQANCHMSA-N 1 0 393.325 3.601 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC001219166715 1031283686 /nfs/dbraw/zinc/28/36/86/1031283686.db2.gz SHFPQWYTELSWHF-WMZOPIPTSA-N 1 0 375.513 3.892 20 30 GHEDRO N#Cc1c(Br)cccc1Nc1cccc(CCN2CCOCC2)c1 ZINC001204380164 1031320577 /nfs/dbraw/zinc/32/05/77/1031320577.db2.gz VLOQAKUVTJPJQI-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC001219273985 1031335670 /nfs/dbraw/zinc/33/56/70/1031335670.db2.gz RIMLPAXYSOHFRB-KWQFWETISA-N 1 0 388.283 3.880 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)Nc2c(C#N)ccc(F)c2F)cc1 ZINC001219314355 1031353255 /nfs/dbraw/zinc/35/32/55/1031353255.db2.gz FUKZWBIRVZFQCA-HNNXBMFYSA-N 1 0 387.430 3.912 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001219369068 1031383536 /nfs/dbraw/zinc/38/35/36/1031383536.db2.gz XZRVDMPUAGNEJU-IYBDPMFKSA-N 1 0 379.464 3.610 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc(C#N)cn2)CCCCC1 ZINC001219652684 1031542192 /nfs/dbraw/zinc/54/21/92/1031542192.db2.gz JMBZFDGEOLWLSP-UHFFFAOYSA-N 1 0 377.492 3.910 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(OC)c1O ZINC001277066810 1031561339 /nfs/dbraw/zinc/56/13/39/1031561339.db2.gz HOTLHGXXEFBJLC-HXUWFJFHSA-N 1 0 378.900 3.587 20 30 GHEDRO N#CCc1ccnc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001219701410 1031563302 /nfs/dbraw/zinc/56/33/02/1031563302.db2.gz NMZBURHWRYZVLU-QHAWAJNXSA-N 1 0 389.503 3.570 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)NCc3ccc4c(c3)CC[NH2+]C4)c2)c1 ZINC001219707436 1031568444 /nfs/dbraw/zinc/56/84/44/1031568444.db2.gz KVPGLWVKNFFGKE-UHFFFAOYSA-N 1 0 383.451 3.507 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccn(C2CCSCC2)n1)C(C)C ZINC001219735304 1031583610 /nfs/dbraw/zinc/58/36/10/1031583610.db2.gz DBRXHLRAILTIBI-SFHVURJKSA-N 1 0 391.585 3.771 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=O)c1cc3cc(C#N)ccc3[nH]1)CC21CC[NH2+]CC1 ZINC001219765269 1031607668 /nfs/dbraw/zinc/60/76/68/1031607668.db2.gz YBBPGWAPRLIAGF-QFIPXVFZSA-N 1 0 384.483 3.844 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC001219856071 1031656911 /nfs/dbraw/zinc/65/69/11/1031656911.db2.gz XUVMLHCTNTXTKF-NRFANRHFSA-N 1 0 394.523 3.579 20 30 GHEDRO COc1cc(C#N)cc(Br)c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001226172364 1031829178 /nfs/dbraw/zinc/82/91/78/1031829178.db2.gz OCKOIULSBOWHNF-UHFFFAOYSA-N 1 0 388.265 3.772 20 30 GHEDRO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N)c1ccccc1C(F)(F)F ZINC001220558450 1031989176 /nfs/dbraw/zinc/98/91/76/1031989176.db2.gz AAGDPZPKBIGOFC-VHSSKADRSA-N 1 0 387.405 3.757 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](Nc2ccccc2)C1)C(C)C ZINC001220597746 1032003922 /nfs/dbraw/zinc/00/39/22/1032003922.db2.gz HPOFSPUGFSRMJR-FCHUYYIVSA-N 1 0 384.568 3.971 20 30 GHEDRO C#C[C@H](C)Oc1c(OC)ccc2c1-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC001229184060 1033327153 /nfs/dbraw/zinc/32/71/53/1033327153.db2.gz SFBGJINRIXXARK-YOEHRIQHSA-O 1 0 394.491 3.707 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)ccc1F ZINC001205467489 1033425727 /nfs/dbraw/zinc/42/57/27/1033425727.db2.gz SJHXJPKVAUBBDR-NRFANRHFSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)ccc1F ZINC001205472840 1033428668 /nfs/dbraw/zinc/42/86/68/1033428668.db2.gz JNAYMKPBQWCLCJ-GWTOYCKXSA-N 1 0 381.426 3.933 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157426081 1033579971 /nfs/dbraw/zinc/57/99/71/1033579971.db2.gz NFNOCUZAKYUNAZ-QGZVFWFLSA-N 1 0 398.894 3.542 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(I)c(F)c2)no1 ZINC001206094412 1033716839 /nfs/dbraw/zinc/71/68/39/1033716839.db2.gz MFMMXNQFJVIIRE-UHFFFAOYSA-N 1 0 399.207 3.589 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C#N)c2)[NH+]2CCCC2)cc1 ZINC001206298477 1033787413 /nfs/dbraw/zinc/78/74/13/1033787413.db2.gz VAYPNFKTXOVSDF-OAQYLSRUSA-N 1 0 378.476 3.834 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(Br)ccc(C)c3F)C2)C1=O ZINC001277433934 1033813863 /nfs/dbraw/zinc/81/38/63/1033813863.db2.gz VJJMNVIJMNICNC-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c(Cl)c1 ZINC001157893570 1033814714 /nfs/dbraw/zinc/81/47/14/1033814714.db2.gz MXMJGBOACNOVGB-UHFFFAOYSA-N 1 0 381.907 3.781 20 30 GHEDRO COc1ccc(CN(c2nc(Cl)c(F)cc2C#N)C2CC[NH2+]CC2)cc1F ZINC001158004268 1033863202 /nfs/dbraw/zinc/86/32/02/1033863202.db2.gz DIWVOCFLKFMDJR-UHFFFAOYSA-N 1 0 392.837 3.652 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001230153916 1033920806 /nfs/dbraw/zinc/92/08/06/1033920806.db2.gz LFEKQMGJOTTZDS-IUYMFKLXSA-N 1 0 397.471 3.864 20 30 GHEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC001206673122 1033939740 /nfs/dbraw/zinc/93/97/40/1033939740.db2.gz DJJZDYPNEPLQAL-UHFFFAOYSA-N 1 0 375.516 3.576 20 30 GHEDRO C=CCCC(C)(C)[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C ZINC001206770722 1033977361 /nfs/dbraw/zinc/97/73/61/1033977361.db2.gz LMJNTAHIYDBVJX-QGZVFWFLSA-N 1 0 378.561 3.746 20 30 GHEDRO C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001207036291 1034062587 /nfs/dbraw/zinc/06/25/87/1034062587.db2.gz WOORPCYWZTYRIQ-PXNSSMCTSA-N 1 0 398.551 3.905 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(C)cc(Br)c3)CC2)C1=O ZINC001276512398 1034134831 /nfs/dbraw/zinc/13/48/31/1034134831.db2.gz WGWFGVYRXPQMAJ-FQEVSTJZSA-N 1 0 389.337 3.595 20 30 GHEDRO CCOC(=O)C1(Nc2c(C#N)c(Cl)nc3cccc(C)c32)CC[NH+](C)CC1 ZINC001158575612 1034162193 /nfs/dbraw/zinc/16/21/93/1034162193.db2.gz ZKFSEMVPHRGKNC-UHFFFAOYSA-N 1 0 386.883 3.508 20 30 GHEDRO C=CCN(CC[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001207203646 1034170897 /nfs/dbraw/zinc/17/08/97/1034170897.db2.gz LFMXILNKOPWHLP-QGZVFWFLSA-N 1 0 397.560 3.598 20 30 GHEDRO N#Cc1cnc(Cl)cc1-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001158668670 1034222424 /nfs/dbraw/zinc/22/24/24/1034222424.db2.gz BJPSWRVXPQXKRN-UHFFFAOYSA-N 1 0 380.757 3.950 20 30 GHEDRO CC1(C)C[C@H](C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CCO1 ZINC001207357312 1034302820 /nfs/dbraw/zinc/30/28/20/1034302820.db2.gz KVDPEOXTNATNEQ-QPPBQGQZSA-N 1 0 397.563 3.682 20 30 GHEDRO Cc1nc(C#Cc2ccnc(N(C)C(C)(C)C[NH3+])c2)c(C)n1-c1ccc(F)cc1 ZINC001159054042 1034403245 /nfs/dbraw/zinc/40/32/45/1034403245.db2.gz DKNCEGVYQLLPCM-UHFFFAOYSA-N 1 0 391.494 3.597 20 30 GHEDRO N#Cc1c(Nc2cccc(C(=O)NCc3ccccc3)c2)sc2c1CC[NH2+]C2 ZINC001159153471 1034455387 /nfs/dbraw/zinc/45/53/87/1034455387.db2.gz APQACRKSJZBELD-UHFFFAOYSA-N 1 0 388.496 3.939 20 30 GHEDRO N#Cc1c(Nc2ccc(C(=O)NCc3ccccc3)cc2)sc2c1CC[NH2+]C2 ZINC001159153820 1034455751 /nfs/dbraw/zinc/45/57/51/1034455751.db2.gz JMBNOBOTBFWSCE-UHFFFAOYSA-N 1 0 388.496 3.939 20 30 GHEDRO COC(=O)c1sc2cccc(OC)c2c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159216028 1034491185 /nfs/dbraw/zinc/49/11/85/1034491185.db2.gz YTRABIVFMBAGNF-UHFFFAOYSA-N 1 0 393.468 3.999 20 30 GHEDRO COC(=O)c1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(Br)s1 ZINC001159288252 1034524446 /nfs/dbraw/zinc/52/44/46/1034524446.db2.gz PNSRGLABZGBKBJ-UHFFFAOYSA-N 1 0 392.278 3.599 20 30 GHEDRO N#Cc1cc(Nc2ccc3nnc(-c4ccccc4F)n3c2)cc(C2C[NH2+]C2)c1 ZINC001159371989 1034569049 /nfs/dbraw/zinc/56/90/49/1034569049.db2.gz KONDAZQFFJFYFA-UHFFFAOYSA-N 1 0 384.418 3.837 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001207772392 1034569391 /nfs/dbraw/zinc/56/93/91/1034569391.db2.gz IFSZBRYOBVOPCO-UHFFFAOYSA-N 1 0 387.499 3.940 20 30 GHEDRO C=CCCCCCCCCC[N@@H+]1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001207898539 1034643123 /nfs/dbraw/zinc/64/31/23/1034643123.db2.gz AUJBSBJAQGCZNN-UHFFFAOYSA-N 1 0 391.556 3.944 20 30 GHEDRO N#Cc1cc(C(F)(F)N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cnc1Cl ZINC001159653751 1034703860 /nfs/dbraw/zinc/70/38/60/1034703860.db2.gz LQWMFXQQINFLBS-SFHVURJKSA-N 1 0 390.865 3.953 20 30 GHEDRO COc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)c(C(F)(F)F)c1 ZINC001159748607 1034731117 /nfs/dbraw/zinc/73/11/17/1034731117.db2.gz FETJJEYYWNYXON-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3F)C2)C1=O ZINC001276558989 1034754789 /nfs/dbraw/zinc/75/47/89/1034754789.db2.gz ZGZBBDRZVDSNLD-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(C#N)cc3OC)CC2)C1 ZINC001231617133 1034773918 /nfs/dbraw/zinc/77/39/18/1034773918.db2.gz XZTWQDQJVUDITO-UHFFFAOYSA-N 1 0 383.492 3.567 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)CC1 ZINC001208175203 1034774627 /nfs/dbraw/zinc/77/46/27/1034774627.db2.gz OLZWBMLKXFFDKJ-HSZRJFAPSA-N 1 0 393.575 3.756 20 30 GHEDRO C=C(C)[C@@H]1CC=C(CN2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)CC1 ZINC001208175326 1034774716 /nfs/dbraw/zinc/77/47/16/1034774716.db2.gz TXTQRWOKDGQDOA-HXUWFJFHSA-N 1 0 384.568 3.592 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)s3)C2)C1 ZINC001231619246 1034775782 /nfs/dbraw/zinc/77/57/82/1034775782.db2.gz JJJUOKIJNNACHC-OAQYLSRUSA-N 1 0 381.501 3.566 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NCc4ccco4)[C@@H]3C2)CC1 ZINC001208177695 1034777220 /nfs/dbraw/zinc/77/72/20/1034777220.db2.gz XHTWSVCGMDLPGJ-FQOCKNPQSA-N 1 0 398.547 3.783 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC001231620873 1034778411 /nfs/dbraw/zinc/77/84/11/1034778411.db2.gz OMOXHUDGSKSMHW-RBBKRZOGSA-N 1 0 378.472 3.878 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1 ZINC001231622885 1034781555 /nfs/dbraw/zinc/78/15/55/1034781555.db2.gz LRFDHNDDCNIZMB-UHFFFAOYSA-N 1 0 391.515 3.804 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3OC)CC2)c1 ZINC001231624288 1034785086 /nfs/dbraw/zinc/78/50/86/1034785086.db2.gz LLLRLUNSZOXLKE-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001159948001 1034797277 /nfs/dbraw/zinc/79/72/77/1034797277.db2.gz RLNFCUBBIJMHLN-CYBMUJFWSA-N 1 0 394.862 3.543 20 30 GHEDRO N#Cc1cc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)ccc1OC1CCOCC1 ZINC001159952978 1034799173 /nfs/dbraw/zinc/79/91/73/1034799173.db2.gz BDZLAPOCTHADQD-QFIPXVFZSA-N 1 0 393.487 3.990 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCN(c3cccc(C#N)c3)CC2)C1 ZINC001208236874 1034826667 /nfs/dbraw/zinc/82/66/67/1034826667.db2.gz BCNCEIIWXIYWRM-IBGZPJMESA-N 1 0 398.551 3.717 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(OCC(=O)OCC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC001231720025 1034859816 /nfs/dbraw/zinc/85/98/16/1034859816.db2.gz SSKOQFFTCXOCNN-OAQYLSRUSA-N 1 0 393.483 3.760 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(N3c4ccccc4CC3=O)CC2)cc1 ZINC001231818221 1034927444 /nfs/dbraw/zinc/92/74/44/1034927444.db2.gz UQXPIQHLVYWKAV-UHFFFAOYSA-N 1 0 388.515 3.590 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231821041 1034929290 /nfs/dbraw/zinc/92/92/90/1034929290.db2.gz OBVQPNRXJHHOJX-IEBWSBKVSA-N 1 0 386.540 3.772 20 30 GHEDRO CCOC(=O)c1coc(C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC001231822167 1034930386 /nfs/dbraw/zinc/93/03/86/1034930386.db2.gz WEMOOVHVNUISPI-UHFFFAOYSA-N 1 0 396.491 3.581 20 30 GHEDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(O)c1 ZINC001231845491 1034939546 /nfs/dbraw/zinc/93/95/46/1034939546.db2.gz NCNZJZKVSYTQFT-HSZRJFAPSA-N 1 0 375.472 3.510 20 30 GHEDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001160664725 1035028854 /nfs/dbraw/zinc/02/88/54/1035028854.db2.gz GWLMXAHBDQUYAB-INIZCTEOSA-N 1 0 379.508 3.539 20 30 GHEDRO COc1ccccc1CCC[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001208836937 1035050739 /nfs/dbraw/zinc/05/07/39/1035050739.db2.gz KQNHEJIYFKWSCW-XMMPIXPASA-N 1 0 389.499 3.628 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160747940 1035053806 /nfs/dbraw/zinc/05/38/06/1035053806.db2.gz NWATUAWIAMGRNR-JOYOIKCWSA-N 1 0 390.743 3.990 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](CCCc3cccc(C#N)c3)CC2)C1 ZINC001208845798 1035054364 /nfs/dbraw/zinc/05/43/64/1035054364.db2.gz SJBZRPUYSSGMQB-UHFFFAOYSA-N 1 0 399.535 3.593 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c1 ZINC001208851310 1035058573 /nfs/dbraw/zinc/05/85/73/1035058573.db2.gz DQCJNDLNYGPFSV-ZEQRLZLVSA-N 1 0 375.516 3.998 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1 ZINC001208852623 1035059127 /nfs/dbraw/zinc/05/91/27/1035059127.db2.gz NXOUQNLIKFZETL-QHCPKHFHSA-N 1 0 395.453 3.898 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)cc1 ZINC001208859668 1035063027 /nfs/dbraw/zinc/06/30/27/1035063027.db2.gz SQSHRVYYYZSMND-BJKOFHAPSA-N 1 0 391.515 3.726 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cc1 ZINC001208861241 1035063880 /nfs/dbraw/zinc/06/38/80/1035063880.db2.gz GJCNDMIPEMADEO-TZRRMPRUSA-N 1 0 391.515 3.582 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)cc1 ZINC001208861840 1035064470 /nfs/dbraw/zinc/06/44/70/1035064470.db2.gz QCBVCYWRYFMWLP-JOCHJYFZSA-N 1 0 379.548 3.899 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908192 1035084464 /nfs/dbraw/zinc/08/44/64/1035084464.db2.gz KDKOIXYQRREVLL-DNQXCXABSA-N 1 0 384.564 3.977 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc1 ZINC001208922801 1035090019 /nfs/dbraw/zinc/09/00/19/1035090019.db2.gz LCPLLXBUIAXSCY-UHFFFAOYSA-N 1 0 391.490 3.897 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]1CC[C@H](C(=O)OCC)CC1)[C@@H]2CC ZINC001209000082 1035142976 /nfs/dbraw/zinc/14/29/76/1035142976.db2.gz MJMOXXJKQLUGLY-URFJDIBFSA-N 1 0 390.568 3.778 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001209128993 1035186082 /nfs/dbraw/zinc/18/60/82/1035186082.db2.gz PCRSVJDPIMHHEZ-GOSISDBHSA-N 1 0 379.426 3.783 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC001161240161 1035187990 /nfs/dbraw/zinc/18/79/90/1035187990.db2.gz JBSDYQVBLQWVLJ-UHFFFAOYSA-N 1 0 382.533 3.985 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCCN(C(=O)c3cccc([C@H]4CCC[NH2+]4)c3)C2)cc1 ZINC001161329063 1035209319 /nfs/dbraw/zinc/20/93/19/1035209319.db2.gz RXCCZVOIOYJFKW-FCHUYYIVSA-N 1 0 375.472 3.666 20 30 GHEDRO N#CC[C@H](NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(F)(F)F ZINC001209328280 1035243105 /nfs/dbraw/zinc/24/31/05/1035243105.db2.gz ARQPPLGEQYTYPZ-SFHVURJKSA-N 1 0 390.409 3.512 20 30 GHEDRO COCCC1(CNc2ccc(COc3ccc(CC#N)cc3)cn2)CC[NH2+]CC1 ZINC001161503121 1035243109 /nfs/dbraw/zinc/24/31/09/1035243109.db2.gz UYWZYAHOELRBEH-UHFFFAOYSA-N 1 0 394.519 3.545 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209370271 1035257551 /nfs/dbraw/zinc/25/75/51/1035257551.db2.gz KNFVADDBRHYVAV-SIKLNZKXSA-N 1 0 396.572 3.755 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC3(CC2)[NH2+]CCc2ccccc23)c(C(F)(F)F)c1 ZINC001161591546 1035267133 /nfs/dbraw/zinc/26/71/33/1035267133.db2.gz LPDZVMDKSYSYFY-UHFFFAOYSA-N 1 0 399.416 3.854 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001209444818 1035275620 /nfs/dbraw/zinc/27/56/20/1035275620.db2.gz ZKYNITJNZLQDJN-QHCPKHFHSA-N 1 0 391.600 3.742 20 30 GHEDRO CCOC(=O)c1cc(C)nc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C#N ZINC001161885204 1035321287 /nfs/dbraw/zinc/32/12/87/1035321287.db2.gz HZXMOBGLPYCBKV-SFHVURJKSA-N 1 0 378.476 3.515 20 30 GHEDRO C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(Cl)c(Br)c1 ZINC001276658101 1035331870 /nfs/dbraw/zinc/33/18/70/1035331870.db2.gz XNVPXRGQHBIIFR-GOSISDBHSA-N 1 0 395.728 3.693 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC001209677219 1035352971 /nfs/dbraw/zinc/35/29/71/1035352971.db2.gz KFESOCWJYDENLT-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241502129 1035596572 /nfs/dbraw/zinc/59/65/72/1035596572.db2.gz ADGSPUZCYRDFAK-LJQANCHMSA-N 1 0 398.466 3.699 20 30 GHEDRO CC[NH+]1CCN(c2ccc(-c3nc(OC)cc(C(F)(F)F)c3C#N)cc2)CC1 ZINC001241739801 1035664623 /nfs/dbraw/zinc/66/46/23/1035664623.db2.gz DUDKNNZGPOKPDC-UHFFFAOYSA-N 1 0 390.409 3.790 20 30 GHEDRO C#Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CO)C3)ccc2NC(=O)C(C)(C)C)cc1 ZINC001242293767 1035876989 /nfs/dbraw/zinc/87/69/89/1035876989.db2.gz OHEKATAUCGOMOP-GOSISDBHSA-N 1 0 391.515 3.529 20 30 GHEDRO Cc1nc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ccc1C#N ZINC001462055664 1069969631 /nfs/dbraw/zinc/96/96/31/1069969631.db2.gz XTPZKBMGYWBNMZ-KRWDZBQOSA-N 1 0 377.275 3.601 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001248749753 1036106611 /nfs/dbraw/zinc/10/66/11/1036106611.db2.gz KTQIHWGCMHJFIF-XMMPIXPASA-N 1 0 391.490 3.884 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CCN(C(=O)c3ccco3)C2)CC1 ZINC001248749932 1036106659 /nfs/dbraw/zinc/10/66/59/1036106659.db2.gz QTTCPPRQXLVRIA-UHFFFAOYSA-N 1 0 377.488 3.842 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001248750567 1036107779 /nfs/dbraw/zinc/10/77/79/1036107779.db2.gz NYIGVFPSFSWOHZ-WXFUMESZSA-N 1 0 391.515 3.854 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cnc3ccccc3c2Cl)CC1 ZINC001248813854 1036180213 /nfs/dbraw/zinc/18/02/13/1036180213.db2.gz OIADHUYYWUVTLO-UHFFFAOYSA-N 1 0 384.955 3.680 20 30 GHEDRO CCc1cc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc(OC)c1C(=O)OC ZINC001245383559 1036904437 /nfs/dbraw/zinc/90/44/37/1036904437.db2.gz JXOSUOXWSZAYBR-UHFFFAOYSA-N 1 0 394.471 3.714 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2CC[NH+](C3CCC3)CC2)cc1C(F)(F)F ZINC001245802119 1037006129 /nfs/dbraw/zinc/00/61/29/1037006129.db2.gz OQRSPXJFNMOCRQ-UHFFFAOYSA-N 1 0 382.455 3.880 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1 ZINC001246014586 1037134105 /nfs/dbraw/zinc/13/41/05/1037134105.db2.gz VPECEYVPFICHSC-FCHUYYIVSA-N 1 0 390.568 3.705 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@@]2(CC[NH2+]2)C1 ZINC001246024298 1037141322 /nfs/dbraw/zinc/14/13/22/1037141322.db2.gz HNBUONQUGUXYIA-GOTSBHOMSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@]2(CC[NH2+]2)C1 ZINC001246024296 1037141759 /nfs/dbraw/zinc/14/17/59/1037141759.db2.gz HNBUONQUGUXYIA-DHIUTWEWSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[NH2+]CC12CC2 ZINC001246031215 1037145996 /nfs/dbraw/zinc/14/59/96/1037145996.db2.gz UJDGJMBMETYNHK-QFIPXVFZSA-N 1 0 398.632 3.739 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246033556 1037149941 /nfs/dbraw/zinc/14/99/41/1037149941.db2.gz NRRXFKLMIZTTKI-ZRBLBEILSA-N 1 0 398.632 3.595 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246037141 1037151535 /nfs/dbraw/zinc/15/15/35/1037151535.db2.gz WOVSEQYWFIGICJ-RJGXRXQPSA-N 1 0 398.632 3.725 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C[NH2+]1 ZINC001246294710 1037282794 /nfs/dbraw/zinc/28/27/94/1037282794.db2.gz KSZMDWLFBZZSSZ-DGCLKSJQSA-N 1 0 385.514 3.638 20 30 GHEDRO C[NH2+]CC[C@@H](C)[NH2+]Cc1ccc(-c2cccc(Oc3ccnc(C#N)n3)c2)cc1 ZINC001246294904 1037283133 /nfs/dbraw/zinc/28/31/33/1037283133.db2.gz NNOCNBSIGINSRT-QGZVFWFLSA-N 1 0 387.487 3.895 20 30 GHEDRO CCOC(=O)N1CCC(C)(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC001462180542 1070057922 /nfs/dbraw/zinc/05/79/22/1070057922.db2.gz QMAORKKJZNZIHQ-UHFFFAOYSA-N 1 0 385.508 3.660 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246526825 1037461461 /nfs/dbraw/zinc/46/14/61/1037461461.db2.gz RONXRXNMHMTKTC-OALUTQOASA-N 1 0 377.573 3.654 20 30 GHEDRO CCOC(=O)[C@@H]1C[C@H]([N@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)CCN1 ZINC001246893441 1037709386 /nfs/dbraw/zinc/70/93/86/1037709386.db2.gz VUHPCPNMGGFIBA-NMNUPHIUSA-N 1 0 391.515 3.805 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232268860 1037991367 /nfs/dbraw/zinc/99/13/67/1037991367.db2.gz WKOHSNFRYVFUSG-FQEVSTJZSA-N 1 0 378.900 3.587 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)ccc1OCC)C2 ZINC001232383418 1038161501 /nfs/dbraw/zinc/16/15/01/1038161501.db2.gz SYZSIILDFPRTMB-FGZHOGPDSA-N 1 0 375.509 3.668 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(OC)ccc1OC(C)C)CC2 ZINC001232387716 1038170025 /nfs/dbraw/zinc/17/00/25/1038170025.db2.gz QVRZSSJDFVNEHJ-UHFFFAOYSA-N 1 0 388.508 3.703 20 30 GHEDRO C=CCCNC(=S)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001247644332 1038287967 /nfs/dbraw/zinc/28/79/67/1038287967.db2.gz QQIJHJBCPQRAMX-UHFFFAOYSA-N 1 0 394.588 3.867 20 30 GHEDRO CC(C)(C)OC(=O)C[C@H]([NH3+])Cc1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247819679 1038404980 /nfs/dbraw/zinc/40/49/80/1038404980.db2.gz FHAHSFSAIGZPDF-OAHLLOKOSA-N 1 0 384.480 3.507 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc([C@@]34C[NH2+]C[C@H]3CCN4)n2)cc1 ZINC001247836428 1038414650 /nfs/dbraw/zinc/41/46/50/1038414650.db2.gz MEUBPBGPAQPSRD-XMSQKQJNSA-N 1 0 384.524 3.884 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(C[C@H]([NH3+])c2ccc(F)cc2)n1 ZINC001247845912 1038421295 /nfs/dbraw/zinc/42/12/95/1038421295.db2.gz TZVPYKRYZHAVLS-HNNXBMFYSA-N 1 0 387.212 3.752 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001232844041 1038595276 /nfs/dbraw/zinc/59/52/76/1038595276.db2.gz FSVAEFQMPYRGHU-QFBILLFUSA-N 1 0 379.501 3.791 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889992 1038675075 /nfs/dbraw/zinc/67/50/75/1038675075.db2.gz WJUQFEDJGRSPAB-GHTZIAJQSA-N 1 0 391.462 3.868 20 30 GHEDRO N#Cc1cc(CN2CC[NH+](CCc3ccccc3)CC2)ccc1Br ZINC001232894667 1038687973 /nfs/dbraw/zinc/68/79/73/1038687973.db2.gz AQSGGJPDHDBCMS-UHFFFAOYSA-N 1 0 384.321 3.681 20 30 GHEDRO N#Cc1cc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)ccc1Br ZINC001232897437 1038692662 /nfs/dbraw/zinc/69/26/62/1038692662.db2.gz NEZSTESLESZSSP-QZTJIDSGSA-N 1 0 382.305 3.889 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)n1 ZINC001232925148 1038714073 /nfs/dbraw/zinc/71/40/73/1038714073.db2.gz NQVGTFOOLFNOMK-QFIPXVFZSA-N 1 0 386.499 3.529 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c(C#N)c1 ZINC001232964262 1038737930 /nfs/dbraw/zinc/73/79/30/1038737930.db2.gz SLXYCEYJHLCZMD-UHFFFAOYSA-N 1 0 393.506 3.873 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)c(C#N)c1 ZINC001232965409 1038739577 /nfs/dbraw/zinc/73/95/77/1038739577.db2.gz YHOOHGFWHZEBNO-UHFFFAOYSA-N 1 0 388.515 3.727 20 30 GHEDRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccc(C#N)cc2C)CC3)cs1 ZINC001233081083 1038846894 /nfs/dbraw/zinc/84/68/94/1038846894.db2.gz NQELKYMJKXPTFN-OAQYLSRUSA-N 1 0 397.544 3.972 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001252126292 1038876126 /nfs/dbraw/zinc/87/61/26/1038876126.db2.gz OJSDIHCOQQYTRF-IRLDBZIGSA-N 1 0 377.573 3.853 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc(N(C)C)c(C#N)c4F)C[C@H]3C2)cc1 ZINC001233099640 1038877501 /nfs/dbraw/zinc/87/75/01/1038877501.db2.gz XEPVRAKOYUDJNU-OYRHEFFESA-N 1 0 392.522 3.636 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001252128921 1038880779 /nfs/dbraw/zinc/88/07/79/1038880779.db2.gz SGSJFYZZBBSSFK-GGAORHGYSA-N 1 0 387.568 3.618 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001252130347 1038883449 /nfs/dbraw/zinc/88/34/49/1038883449.db2.gz OPXHXPMHQTYRIJ-LJQANCHMSA-N 1 0 386.540 3.540 20 30 GHEDRO C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H]([NH2+]CC(C)(C)O)c1ccnc2ccc(OC)cc21 ZINC001252365983 1038958099 /nfs/dbraw/zinc/95/80/99/1038958099.db2.gz SQUKZQWRCFTMOV-DODAUVCRSA-N 1 0 395.547 3.541 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+]C[C@H](O)COc2cccc3ccccc32)c1 ZINC001252399820 1038981122 /nfs/dbraw/zinc/98/11/22/1038981122.db2.gz XZPHDLCXHMIQCR-FQEVSTJZSA-N 1 0 376.456 3.510 20 30 GHEDRO C=C[C@@](C)(O)C[N@@H+]1Cc2ccccc2C2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001252558840 1039031280 /nfs/dbraw/zinc/03/12/80/1039031280.db2.gz JERNSJWUPDGFTC-JOCHJYFZSA-N 1 0 386.536 3.708 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]C1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252582344 1039036808 /nfs/dbraw/zinc/03/68/08/1039036808.db2.gz PSVDOEAXTILBPY-HXUWFJFHSA-N 1 0 378.488 3.579 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(F)(F)F ZINC001252580326 1039037510 /nfs/dbraw/zinc/03/75/10/1039037510.db2.gz BQNXVSNFFSBCAN-QGZVFWFLSA-N 1 0 390.402 3.959 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H](CC(=O)NCC3CC3)c3ccccc32)CC1 ZINC001252595605 1039041107 /nfs/dbraw/zinc/04/11/07/1039041107.db2.gz JJCXWNOXQHHZGD-LEWJYISDSA-N 1 0 396.575 3.751 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1 ZINC001252598807 1039043284 /nfs/dbraw/zinc/04/32/84/1039043284.db2.gz RPPVWZDERXEFGT-IBGZPJMESA-N 1 0 382.533 3.964 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001252603846 1039044084 /nfs/dbraw/zinc/04/40/84/1039044084.db2.gz GVWHOTHJODVRET-HXUWFJFHSA-N 1 0 377.488 3.944 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccc(OCOC)c3)C2)CC1 ZINC001233278892 1039047929 /nfs/dbraw/zinc/04/79/29/1039047929.db2.gz JQZBBXGMRNJJID-UHFFFAOYSA-N 1 0 388.508 3.670 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]2CC ZINC001233288237 1039069189 /nfs/dbraw/zinc/06/91/89/1039069189.db2.gz CWDWSNAGWOSIOU-NQIIRXRSSA-N 1 0 392.927 3.976 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OC)c(O)c1Cl)CC2 ZINC001233399244 1039238025 /nfs/dbraw/zinc/23/80/25/1039238025.db2.gz PPRODODSJIFKER-HXUWFJFHSA-N 1 0 378.900 3.587 20 30 GHEDRO N#Cc1c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1C(F)(F)F ZINC001252937688 1039279627 /nfs/dbraw/zinc/27/96/27/1039279627.db2.gz KSIDWRCTHDDJBT-IBGZPJMESA-N 1 0 375.394 3.626 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC(C(=O)N2CCC(=O)CC2)CC1 ZINC001252983821 1039311747 /nfs/dbraw/zinc/31/17/47/1039311747.db2.gz ACPDDAGPQANFFC-JOCHJYFZSA-N 1 0 394.600 3.782 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc4nc(Cl)ccc4c3)CC2)nc1 ZINC001233444974 1039329707 /nfs/dbraw/zinc/32/97/07/1039329707.db2.gz LIASASZXKAIALB-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001253234422 1039487779 /nfs/dbraw/zinc/48/77/79/1039487779.db2.gz AYSRFIIDGLOJSR-RBBKRZOGSA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001253236397 1039490876 /nfs/dbraw/zinc/49/08/76/1039490876.db2.gz CHQDEFNDDRQQBF-HXUWFJFHSA-N 1 0 375.557 3.903 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001253238115 1039494791 /nfs/dbraw/zinc/49/47/91/1039494791.db2.gz BGSQJAUVSQOZCC-MRXNPFEDSA-N 1 0 386.462 3.505 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001253238581 1039494963 /nfs/dbraw/zinc/49/49/63/1039494963.db2.gz GELPLIGJSQAXKB-DXIQSLLYSA-N 1 0 392.515 3.720 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001253239471 1039496824 /nfs/dbraw/zinc/49/68/24/1039496824.db2.gz ZUNNXHNJSNOVLT-JOCHJYFZSA-N 1 0 388.600 3.738 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001253241653 1039498491 /nfs/dbraw/zinc/49/84/91/1039498491.db2.gz YPSREBMVJZWYKC-SJORKVTESA-N 1 0 398.345 3.580 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001253243567 1039500160 /nfs/dbraw/zinc/50/01/60/1039500160.db2.gz XJCWUXLETQJZBH-DENIHFKCSA-N 1 0 396.572 3.586 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC1(c2cccc(OC)n2)CCOCC1 ZINC001253253170 1039504748 /nfs/dbraw/zinc/50/47/48/1039504748.db2.gz CTDRQYNYMAPEMH-LJQANCHMSA-N 1 0 376.541 3.616 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1 ZINC001253254561 1039505578 /nfs/dbraw/zinc/50/55/78/1039505578.db2.gz CNVQEKVGDXIQHO-CVEARBPZSA-N 1 0 386.462 3.551 20 30 GHEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(CCN(CCC(F)(F)F)C2=O)C1 ZINC001277817403 1039695189 /nfs/dbraw/zinc/69/51/89/1039695189.db2.gz MMZQTQNETIMAKH-QGZVFWFLSA-N 1 0 385.817 3.588 20 30 GHEDRO CCCCCCCCCCCCCC[C@H](O)C[NH+]1CCN(CC(N)=O)CC1 ZINC001253566115 1039707340 /nfs/dbraw/zinc/70/73/40/1039707340.db2.gz XHKNDQPJPQZIKC-NRFANRHFSA-N 1 0 383.621 3.541 20 30 GHEDRO C=C[C@H](O)C[NH2+]C1(Cc2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253610141 1039720254 /nfs/dbraw/zinc/72/02/54/1039720254.db2.gz QARMSLWHZILXNT-SFHVURJKSA-N 1 0 394.943 3.789 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCc1ncc[nH]1 ZINC001253614515 1039725561 /nfs/dbraw/zinc/72/55/61/1039725561.db2.gz QFHCIYZGSYTSFL-OAQYLSRUSA-N 1 0 397.604 3.857 20 30 GHEDRO C=CCCN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001234337107 1039972918 /nfs/dbraw/zinc/97/29/18/1039972918.db2.gz NOFZOUFAENPSDM-XZOQPEGZSA-N 1 0 393.531 3.881 20 30 GHEDRO COc1cc(/C=C/C(C)=O)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001234339455 1039975468 /nfs/dbraw/zinc/97/54/68/1039975468.db2.gz PBMCBZQJSPBTOJ-DGSRBQDKSA-N 1 0 395.499 3.967 20 30 GHEDRO CC(C)(C)[NH+]1CCC(Oc2cc(C#N)ccc2I)CC1 ZINC001234429286 1040028237 /nfs/dbraw/zinc/02/82/37/1040028237.db2.gz CBBMEOQMHLXHIA-UHFFFAOYSA-N 1 0 384.261 3.805 20 30 GHEDRO CCOc1ccc([C@@H](CO)[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)cn1 ZINC001254345450 1040179135 /nfs/dbraw/zinc/17/91/35/1040179135.db2.gz CBIQPBHTKVIPBX-SNCIUUNGSA-N 1 0 383.467 3.647 20 30 GHEDRO N#Cc1nc(OC2CC[NH+](CCc3ccccc3)CC2)ccc1Br ZINC001234639794 1040186355 /nfs/dbraw/zinc/18/63/55/1040186355.db2.gz BXAUTHWJURGDPU-UHFFFAOYSA-N 1 0 386.293 3.802 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC1 ZINC001254359619 1040191164 /nfs/dbraw/zinc/19/11/64/1040191164.db2.gz LJGKAXFFKDBZHA-HVIUMASTSA-N 1 0 383.511 3.910 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(N2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001254359020 1040191268 /nfs/dbraw/zinc/19/12/68/1040191268.db2.gz PNYMJOZIENAHIF-UHFFFAOYSA-N 1 0 391.490 3.874 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1OC(C)C)C2 ZINC001234713892 1040245038 /nfs/dbraw/zinc/24/50/38/1040245038.db2.gz AZVRGWRMBRDASJ-UNMCSNQZSA-N 1 0 375.509 3.809 20 30 GHEDRO C[C@@H]1CC(=O)N(C)c2ccc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)cc21 ZINC001234842813 1040364199 /nfs/dbraw/zinc/36/41/99/1040364199.db2.gz LFVAQNBTXVUKEC-UZLBHIALSA-N 1 0 375.472 3.682 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)c2ccc(O[C@@H](C#N)c3ccccc3F)cc2)CC1 ZINC001234900005 1040413143 /nfs/dbraw/zinc/41/31/43/1040413143.db2.gz CRWVUPNASUBDBD-NRFANRHFSA-N 1 0 381.451 3.636 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC001254652232 1040419551 /nfs/dbraw/zinc/41/95/51/1040419551.db2.gz BGWREPUNEUISIF-ZACQAIPSSA-N 1 0 395.544 3.674 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H](C#N)C2)C1 ZINC001254677271 1040432037 /nfs/dbraw/zinc/43/20/37/1040432037.db2.gz RQTZUYPTTHYFLY-SLFFLAALSA-N 1 0 384.524 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccncc2)[C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254677272 1040432500 /nfs/dbraw/zinc/43/25/00/1040432500.db2.gz RQTZUYPTTHYFLY-VAMGGRTRSA-N 1 0 384.524 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+]C3(CC#N)CCCC3)CC2)C1 ZINC001254723626 1040480965 /nfs/dbraw/zinc/48/09/65/1040480965.db2.gz IUQNUJIHZOVBIL-UHFFFAOYSA-N 1 0 377.529 3.751 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(-c3nnc(C)o3)cc1)CCO2 ZINC001235049272 1040542769 /nfs/dbraw/zinc/54/27/69/1040542769.db2.gz PDKNABWBRUBIDJ-IFMALSPDSA-N 1 0 383.492 3.619 20 30 GHEDRO C=CCN1CC[NH+](C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254795901 1040557582 /nfs/dbraw/zinc/55/75/82/1040557582.db2.gz CJPNODDCKCTUOE-UHFFFAOYSA-N 1 0 377.573 3.750 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)cc2)cc1 ZINC001235229153 1040709089 /nfs/dbraw/zinc/70/90/89/1040709089.db2.gz DFMPXFPHTSQOMQ-PXNSSMCTSA-N 1 0 387.405 3.934 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255141988 1040851077 /nfs/dbraw/zinc/85/10/77/1040851077.db2.gz PAQFJLOCJNZKSU-AANQFLQQSA-N 1 0 393.575 3.683 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc(C)c1OCCO ZINC001235377861 1040894079 /nfs/dbraw/zinc/89/40/79/1040894079.db2.gz ZKQPUCZHALYZOH-NRFANRHFSA-N 1 0 380.488 3.590 20 30 GHEDRO Cn1cc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c2cc(C#N)ccc21 ZINC001235379990 1040901120 /nfs/dbraw/zinc/90/11/20/1040901120.db2.gz IOQYLDFATNHETF-DHLKQENFSA-N 1 0 384.527 3.803 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001255216187 1040910360 /nfs/dbraw/zinc/91/03/60/1040910360.db2.gz DRTFRGIZIXFSEI-JTJHWIPRSA-N 1 0 383.492 3.553 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+](C2CCC(C)(C)CC2)CC1 ZINC001255306531 1040942509 /nfs/dbraw/zinc/94/25/09/1040942509.db2.gz KYPQTGMWXFVKON-UHFFFAOYSA-N 1 0 384.524 3.529 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCC[C@@H](C(=O)OCC)C1)[C@@H]2CC ZINC001255359624 1040961760 /nfs/dbraw/zinc/96/17/60/1040961760.db2.gz CWNDUMLCULZCFW-MOXWOTFGSA-N 1 0 376.541 3.530 20 30 GHEDRO CCn1ncc2c1CN(Cc1ccccc1CC#N)C[C@@H]2COc1cccnc1 ZINC001235515074 1040970148 /nfs/dbraw/zinc/97/01/48/1040970148.db2.gz NZCCYNNHIPQHOZ-HXUWFJFHSA-N 1 0 387.487 3.542 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cccn1C(=O)OC(C)(C)C)C2 ZINC001235631014 1041062472 /nfs/dbraw/zinc/06/24/72/1041062472.db2.gz SEVVNYMBQFVDDC-NQIIRXRSSA-N 1 0 376.497 3.597 20 30 GHEDRO N#Cc1cc(F)c(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654280 1041098832 /nfs/dbraw/zinc/09/88/32/1041098832.db2.gz NYAYMQSBLCAPHZ-IRLDBZIGSA-N 1 0 399.441 3.682 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255697051 1041222235 /nfs/dbraw/zinc/22/22/35/1041222235.db2.gz KUOYEBVSELTBDY-DOTOQJQBSA-N 1 0 379.426 3.874 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2c(F)ccc(C#N)c2F)C1 ZINC001236155172 1041579499 /nfs/dbraw/zinc/57/94/99/1041579499.db2.gz XTCMGYPCUBXFRG-MRXNPFEDSA-N 1 0 381.543 3.703 20 30 GHEDRO C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001236314822 1041669003 /nfs/dbraw/zinc/66/90/03/1041669003.db2.gz OCSCXCSIBQNUDX-VGOFRKELSA-N 1 0 394.469 3.923 20 30 GHEDRO COC(=O)c1cccc(CN(Cc2cccc(C#N)c2Cl)C2CC[NH2+]CC2)c1 ZINC001236465233 1041727131 /nfs/dbraw/zinc/72/71/31/1041727131.db2.gz RDWGWWBUHPMNCN-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)c(Cl)c1)C2 ZINC001236905871 1041949538 /nfs/dbraw/zinc/94/95/38/1041949538.db2.gz QUTRPVYIVVJNNY-NQIIRXRSSA-N 1 0 387.911 3.852 20 30 GHEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccc(F)c(N3CCOCC3)c2)CC1 ZINC001236964477 1041971278 /nfs/dbraw/zinc/97/12/78/1041971278.db2.gz YHPBIUKDXSAFOY-UHFFFAOYSA-N 1 0 379.479 3.720 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(F)c(N3CCCC3)c1)CC2 ZINC001237092469 1042032380 /nfs/dbraw/zinc/03/23/80/1042032380.db2.gz MEXAHCGTKYPZAE-UHFFFAOYSA-N 1 0 387.499 3.646 20 30 GHEDRO Cn1cc(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237465230 1042219427 /nfs/dbraw/zinc/21/94/27/1042219427.db2.gz HSDCRSXBBAIPAG-ROUUACIJSA-N 1 0 376.529 3.675 20 30 GHEDRO Cn1cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c2cc(C#N)ccc21 ZINC001237467958 1042220451 /nfs/dbraw/zinc/22/04/51/1042220451.db2.gz IXKHWTKZHVQHSE-UHFFFAOYSA-N 1 0 382.508 3.787 20 30 GHEDRO C[C@H]1CCN(Cc2cc(C#N)c(F)cc2F)C[C@H]1CNC(=O)OC(C)(C)C ZINC001237524249 1042249825 /nfs/dbraw/zinc/24/98/25/1042249825.db2.gz GYXJLQLKXCFELA-XJKSGUPXSA-N 1 0 379.451 3.819 20 30 GHEDRO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2cc(Cl)cc(C#N)c2)CC3)n1 ZINC001237753010 1042354612 /nfs/dbraw/zinc/35/46/12/1042354612.db2.gz BZPQZFGFFICPSR-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)ccc1Cl ZINC001238191151 1042514839 /nfs/dbraw/zinc/51/48/39/1042514839.db2.gz INVSBNBVVSPVIT-QFIPXVFZSA-N 1 0 397.881 3.975 20 30 GHEDRO N#Cc1cc(CN2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)ccc1Cl ZINC001238191755 1042515002 /nfs/dbraw/zinc/51/50/02/1042515002.db2.gz WFYAAHUNLHSESP-CEMLEFRQSA-N 1 0 397.906 3.945 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)ccc1C#N ZINC001238406418 1042586426 /nfs/dbraw/zinc/58/64/26/1042586426.db2.gz CLGIXKJGXPIGON-MDNUFGMLSA-N 1 0 390.531 3.694 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(C)cc(F)cc3Br)C2)C1=O ZINC001238564507 1042641808 /nfs/dbraw/zinc/64/18/08/1042641808.db2.gz XDGPCNLTOFRQCU-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)ccc1C#N ZINC001238762521 1042718900 /nfs/dbraw/zinc/71/89/00/1042718900.db2.gz LIFUVLYJDVKDER-RBZQAINGSA-N 1 0 391.515 3.854 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)ccc1C#N ZINC001238764011 1042719738 /nfs/dbraw/zinc/71/97/38/1042719738.db2.gz YNBOIXVSRAEWTI-UHFFFAOYSA-N 1 0 388.515 3.673 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)OC3)CC2)ccc1C#N ZINC001238774955 1042723001 /nfs/dbraw/zinc/72/30/01/1042723001.db2.gz OAORCTYPGGHOTR-JOCHJYFZSA-N 1 0 395.547 3.504 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC001239255120 1042798658 /nfs/dbraw/zinc/79/86/58/1042798658.db2.gz VRJCMYOQUWZWFT-PRHODGIISA-N 1 0 387.299 3.897 20 30 GHEDRO CCCCCCCNC(=S)N[C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001239369484 1042814492 /nfs/dbraw/zinc/81/44/92/1042814492.db2.gz VJCYLIRGUDNRBI-IBGZPJMESA-N 1 0 393.597 3.662 20 30 GHEDRO C=CCCCNC(=S)NCC1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001239390641 1042820364 /nfs/dbraw/zinc/82/03/64/1042820364.db2.gz ZFGYXRYUPQXSJH-UHFFFAOYSA-N 1 0 385.499 3.757 20 30 GHEDRO CCCCCCCNC(=S)NCC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001239391115 1042820889 /nfs/dbraw/zinc/82/08/89/1042820889.db2.gz WTAYUJBAJZTGBD-UHFFFAOYSA-N 1 0 377.598 3.751 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001239435653 1042829154 /nfs/dbraw/zinc/82/91/54/1042829154.db2.gz YAJYQDIFALFMED-KNQAVFIVSA-N 1 0 376.529 3.508 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)cc1F ZINC001240149828 1042897615 /nfs/dbraw/zinc/89/76/15/1042897615.db2.gz IMVYKRFNTKKDCN-KRWDZBQOSA-N 1 0 389.434 3.874 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240387217 1042924248 /nfs/dbraw/zinc/92/42/48/1042924248.db2.gz ZBBLDDOKVYHCEP-LJQANCHMSA-N 1 0 390.487 3.715 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001291097683 1043076977 /nfs/dbraw/zinc/07/69/77/1043076977.db2.gz ZOZYMTOVEBEVDJ-OALUTQOASA-N 1 0 397.571 3.677 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001291480465 1043295763 /nfs/dbraw/zinc/29/57/63/1043295763.db2.gz BNSSCIPBAFDBQI-KRWDZBQOSA-N 1 0 380.540 3.641 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC001291811884 1043479991 /nfs/dbraw/zinc/47/99/91/1043479991.db2.gz APUAARIJIVJIHW-GOSISDBHSA-N 1 0 382.504 3.959 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCN(Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256537402 1043483938 /nfs/dbraw/zinc/48/39/38/1043483938.db2.gz NJRZQOJWKPEHDN-RBBKRZOGSA-N 1 0 397.563 3.760 20 30 GHEDRO C=CCOCc1nn([C@@H](C)Cc2ccccc2Br)c2c1C[NH2+]C2 ZINC001256841606 1043693117 /nfs/dbraw/zinc/69/31/17/1043693117.db2.gz SHDAMONVTORJFG-ZDUSSCGKSA-N 1 0 376.298 3.755 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN([C@@H]3CCC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001256911325 1043736009 /nfs/dbraw/zinc/73/60/09/1043736009.db2.gz LSNPZNQJHREYCR-IFMALSPDSA-N 1 0 375.557 3.504 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@@H](C(F)(F)F)C1 ZINC001256959471 1043773614 /nfs/dbraw/zinc/77/36/14/1043773614.db2.gz FXJROCDBXMUJRM-PFSRBDOWSA-N 1 0 375.435 3.846 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257010231 1043797135 /nfs/dbraw/zinc/79/71/35/1043797135.db2.gz UTHXXNDIAWOTCM-XVAXZDLZSA-N 1 0 399.535 3.810 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]C3CCN(C(=O)C4CCOCC4)CC3)CC2)cc1 ZINC001257014467 1043799351 /nfs/dbraw/zinc/79/93/51/1043799351.db2.gz PHHDAIKJBIEIPZ-UHFFFAOYSA-N 1 0 395.547 3.592 20 30 GHEDRO CCOC(=O)c1ncn2c1C[N@@H+](C1CCC(c3ccc(C#N)cc3)CC1)CCC2 ZINC001257016835 1043801547 /nfs/dbraw/zinc/80/15/47/1043801547.db2.gz JVFWVKVDXMIZHN-UHFFFAOYSA-N 1 0 392.503 3.864 20 30 GHEDRO Cc1cc(C)nc(N2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)n1 ZINC001257021502 1043805271 /nfs/dbraw/zinc/80/52/71/1043805271.db2.gz VFQORZOJKBKCIS-UHFFFAOYSA-N 1 0 375.520 3.814 20 30 GHEDRO CC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257142203 1043892041 /nfs/dbraw/zinc/89/20/41/1043892041.db2.gz KZQGQFBFIOGFED-TZIWHRDSSA-N 1 0 398.551 3.858 20 30 GHEDRO CC[C@H]1C[C@H](N2CC(Oc3ccccc3C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257143464 1043894240 /nfs/dbraw/zinc/89/42/40/1043894240.db2.gz NODLQFAUZRKMCJ-ZWKOTPCHSA-N 1 0 385.508 3.799 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC001292958928 1043966296 /nfs/dbraw/zinc/96/62/96/1043966296.db2.gz QGGAYFDBGBSPSQ-QFIPXVFZSA-N 1 0 397.563 3.741 20 30 GHEDRO CCCCCCCCCC[C@H](C)[N@@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001257550764 1044036315 /nfs/dbraw/zinc/03/63/15/1044036315.db2.gz TYZFTJBBDZOAHO-RBBKRZOGSA-N 1 0 382.589 3.855 20 30 GHEDRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001293224670 1044068563 /nfs/dbraw/zinc/06/85/63/1044068563.db2.gz DBRODCIFGZUPTO-UHFFFAOYSA-N 1 0 379.460 3.647 20 30 GHEDRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001293301067 1044099370 /nfs/dbraw/zinc/09/93/70/1044099370.db2.gz FMYZSKKBRWYTMA-LVCYWYKZSA-N 1 0 392.551 3.926 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3OCCc4cn(CC5CCOCC5)nc43)C[C@H](C1)C2 ZINC001257886489 1044243915 /nfs/dbraw/zinc/24/39/15/1044243915.db2.gz HNJUZEGGACJDEE-SQUIKTEWSA-N 1 0 385.552 3.648 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@]4(C3)COCCN(c3ncccn3)C4)C[C@H](C1)C2 ZINC001257893655 1044248432 /nfs/dbraw/zinc/24/84/32/1044248432.db2.gz WVLAJKJMIQCRET-FANLQWHUSA-N 1 0 382.552 3.530 20 30 GHEDRO CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001293683837 1044293944 /nfs/dbraw/zinc/29/39/44/1044293944.db2.gz UTWRAPAKBOMKPZ-OMUFJYGLSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(CC(=O)OCC)CC1)[C@H]2CC ZINC001258032056 1044357692 /nfs/dbraw/zinc/35/76/92/1044357692.db2.gz JIJZHRYQABPAHI-NWEKGRFWSA-N 1 0 390.568 3.920 20 30 GHEDRO CCCCCCC[C@@H](C)[N@H+]1CCc2nc(C(=O)N3CCOCC3)sc2CC1 ZINC001258044712 1044367856 /nfs/dbraw/zinc/36/78/56/1044367856.db2.gz TYGIIPCCRUVXCR-QGZVFWFLSA-N 1 0 393.597 3.765 20 30 GHEDRO CCCCCCC[C@H](C)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258045299 1044367909 /nfs/dbraw/zinc/36/79/09/1044367909.db2.gz YVYVQMZFTMGTEE-PZJWPPBQSA-N 1 0 391.604 3.576 20 30 GHEDRO CCOC(=O)CCC[C@H](C)[NH2+][C@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001258113671 1044402619 /nfs/dbraw/zinc/40/26/19/1044402619.db2.gz YUPYQEHEALRHEO-JKSUJKDBSA-N 1 0 383.492 3.816 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)CCCC(=O)OCC)CC2 ZINC001258116456 1044403989 /nfs/dbraw/zinc/40/39/89/1044403989.db2.gz DHRBCUYTQWVACL-SFHVURJKSA-N 1 0 380.529 3.609 20 30 GHEDRO CCCCCCCCC[C@H](C)N(Cc1ncn2c1C[NH2+]CCC2)S(C)(=O)=O ZINC001258230044 1044478424 /nfs/dbraw/zinc/47/84/24/1044478424.db2.gz XTIQBRBVKKRHPD-SFHVURJKSA-N 1 0 398.617 3.667 20 30 GHEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001258229081 1044479226 /nfs/dbraw/zinc/47/92/26/1044479226.db2.gz LWQNECHDQUKHOW-TUNNFDKTSA-N 1 0 382.589 3.902 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](C4CCCCCCC4)C3)C2)n1 ZINC001258237444 1044480372 /nfs/dbraw/zinc/48/03/72/1044480372.db2.gz KNADMMGCVVPGKK-QHCPKHFHSA-N 1 0 382.552 3.985 20 30 GHEDRO C[C@H](CC(C)(C)SCc1ccco1)NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001258300865 1044497337 /nfs/dbraw/zinc/49/73/37/1044497337.db2.gz XUFRFXMPENJUJU-CQSZACIVSA-N 1 0 394.562 3.879 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H]1C ZINC001294217283 1044529722 /nfs/dbraw/zinc/52/97/22/1044529722.db2.gz GHECZOCFJCDWTI-ZWKOTPCHSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCN(c3cccc(F)c3)CC1)C2 ZINC001258422360 1044554852 /nfs/dbraw/zinc/55/48/52/1044554852.db2.gz QCRPUQCKXAJAHP-HSZRJFAPSA-N 1 0 385.527 3.828 20 30 GHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001294331476 1044584839 /nfs/dbraw/zinc/58/48/39/1044584839.db2.gz AWIPOEWUHUGRMD-UHFFFAOYSA-N 1 0 396.535 3.580 20 30 GHEDRO CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001294481056 1044655116 /nfs/dbraw/zinc/65/51/16/1044655116.db2.gz HQTNLPKZUXURMM-FQEVSTJZSA-N 1 0 380.540 3.927 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001258646762 1044686414 /nfs/dbraw/zinc/68/64/14/1044686414.db2.gz IHOXLCGJNWPTCM-QFIPXVFZSA-N 1 0 389.499 3.706 20 30 GHEDRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001258679562 1044707736 /nfs/dbraw/zinc/70/77/36/1044707736.db2.gz NUZIUCMDUJRUFI-LLVKDONJSA-N 1 0 385.316 3.733 20 30 GHEDRO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001258714183 1044732771 /nfs/dbraw/zinc/73/27/71/1044732771.db2.gz KIXHJBIQMNPNCG-FCHUYYIVSA-N 1 0 382.589 3.711 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCC2)C1 ZINC001294650880 1044747826 /nfs/dbraw/zinc/74/78/26/1044747826.db2.gz WJSGJFYMOMBHKL-SFHVURJKSA-N 1 0 378.524 3.537 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@H](C)C#N ZINC001294709460 1044772252 /nfs/dbraw/zinc/77/22/52/1044772252.db2.gz MHNCIZDUKOTJOE-QUCCMNQESA-N 1 0 386.588 3.871 20 30 GHEDRO CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001295438847 1045012258 /nfs/dbraw/zinc/01/22/58/1045012258.db2.gz WZECUEIWHDTWFI-HXUWFJFHSA-N 1 0 378.524 3.680 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001295531228 1045045344 /nfs/dbraw/zinc/04/53/44/1045045344.db2.gz SOHAPBBTICGAJU-UHFFFAOYSA-N 1 0 380.540 3.807 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001296553662 1045336393 /nfs/dbraw/zinc/33/63/93/1045336393.db2.gz SBVASAPWLYRADL-UHFFFAOYSA-N 1 0 391.519 3.513 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001296881027 1045391692 /nfs/dbraw/zinc/39/16/92/1045391692.db2.gz NWGVNUUDWYYVQW-VPAPRSNLSA-N 1 0 394.490 3.825 20 30 GHEDRO C=CCC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CCCC1 ZINC001297803839 1045625227 /nfs/dbraw/zinc/62/52/27/1045625227.db2.gz LOWBZLKZPFIOIP-XUZZJYLKSA-N 1 0 382.548 3.778 20 30 GHEDRO C[NH+](C)CCn1nccc1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC001297931359 1045662514 /nfs/dbraw/zinc/66/25/14/1045662514.db2.gz MAYHWARNWOACGB-UHFFFAOYSA-N 1 0 391.500 3.720 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(C2CCC2)nnc1N1CCC(C#N)CC1)c1cccc(F)c1 ZINC001298029564 1045681619 /nfs/dbraw/zinc/68/16/19/1045681619.db2.gz RZBWSKKYITZHHV-HXUWFJFHSA-N 1 0 396.514 3.728 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C(=O)/C=C\c2ccc(F)cc2)CCC1 ZINC001298268755 1045758197 /nfs/dbraw/zinc/75/81/97/1045758197.db2.gz ZBRWKYNLORXEIP-RAXLEYEMSA-N 1 0 380.463 3.579 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC[N@@H+](CC)C1CC1 ZINC001300800334 1046167906 /nfs/dbraw/zinc/16/79/06/1046167906.db2.gz PLFWQSQNZGPXTM-JOCHJYFZSA-N 1 0 381.499 3.561 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001300805761 1046174772 /nfs/dbraw/zinc/17/47/72/1046174772.db2.gz ICZWZKGDNXVGJC-NFBKMPQASA-N 1 0 377.536 3.670 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[NH+]1CCCC1 ZINC001300809203 1046179071 /nfs/dbraw/zinc/17/90/71/1046179071.db2.gz VEDBNXQVTHDXST-JOCHJYFZSA-N 1 0 397.954 3.610 20 30 GHEDRO C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001301040107 1046303000 /nfs/dbraw/zinc/30/30/00/1046303000.db2.gz CLFLPKASPYXNPX-ROUUACIJSA-N 1 0 393.963 3.584 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301074583 1046320631 /nfs/dbraw/zinc/32/06/31/1046320631.db2.gz CLTUINMPDRVSCX-LJQANCHMSA-N 1 0 390.535 3.705 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccn3C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001301078556 1046323227 /nfs/dbraw/zinc/32/32/27/1046323227.db2.gz RLIJOZZRARLRSV-IBGZPJMESA-N 1 0 382.556 3.705 20 30 GHEDRO C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001301091894 1046335726 /nfs/dbraw/zinc/33/57/26/1046335726.db2.gz PNBBOTNJGSDIOY-UHFFFAOYSA-N 1 0 395.551 3.808 20 30 GHEDRO C=CCCCn1c(N2CCC(OCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001301234814 1046421363 /nfs/dbraw/zinc/42/13/63/1046421363.db2.gz RESLYQMBKKPGTI-UHFFFAOYSA-N 1 0 389.588 3.623 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001262944164 1046440618 /nfs/dbraw/zinc/44/06/18/1046440618.db2.gz JIPHUMGSBVNNDF-VQTJNVASSA-N 1 0 392.551 3.972 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001301281273 1046451577 /nfs/dbraw/zinc/45/15/77/1046451577.db2.gz KAGJTLRWKLYCOS-HNNXBMFYSA-N 1 0 386.887 3.512 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001301282754 1046452718 /nfs/dbraw/zinc/45/27/18/1046452718.db2.gz JAUMQMLZGJMPMG-SFHVURJKSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)[NH+](CC)CC ZINC001301299977 1046463168 /nfs/dbraw/zinc/46/31/68/1046463168.db2.gz ZFLVXSJQRDJSCR-MRXNPFEDSA-N 1 0 375.948 3.875 20 30 GHEDRO C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001301304987 1046465770 /nfs/dbraw/zinc/46/57/70/1046465770.db2.gz MQLNWJDPMBQFPC-LJQANCHMSA-N 1 0 397.567 3.828 20 30 GHEDRO C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001301304513 1046466226 /nfs/dbraw/zinc/46/62/26/1046466226.db2.gz BOIKUGHMCJPNMD-LJQANCHMSA-N 1 0 392.551 3.635 20 30 GHEDRO C=CCN(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001301305674 1046467417 /nfs/dbraw/zinc/46/74/17/1046467417.db2.gz KSGYWXZHZIXBQZ-UHFFFAOYSA-N 1 0 380.540 3.532 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001301305883 1046467873 /nfs/dbraw/zinc/46/78/73/1046467873.db2.gz RZGYPLFYJVTRGT-VQTJNVASSA-N 1 0 381.568 3.806 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001263022185 1046509372 /nfs/dbraw/zinc/50/93/72/1046509372.db2.gz SBQFOFQHUXPEEM-FQEVSTJZSA-N 1 0 392.551 3.808 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001301379191 1046515248 /nfs/dbraw/zinc/51/52/48/1046515248.db2.gz DHPJZDHEQGYBDV-UHFFFAOYSA-N 1 0 395.551 3.864 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001301554578 1046595110 /nfs/dbraw/zinc/59/51/10/1046595110.db2.gz IOEMMAULERHMOU-WOJBJXKFSA-N 1 0 387.572 3.591 20 30 GHEDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001263257297 1046660942 /nfs/dbraw/zinc/66/09/42/1046660942.db2.gz QFJJNZCQRLFNDJ-FZMZJTMJSA-N 1 0 398.322 3.929 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001263288280 1046683977 /nfs/dbraw/zinc/68/39/77/1046683977.db2.gz MUKOWHXCFZHWGL-RXVVDRJESA-N 1 0 395.551 3.630 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3ocnc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001263324862 1046713471 /nfs/dbraw/zinc/71/34/71/1046713471.db2.gz FRQUSLGZUBKJIU-QGZVFWFLSA-N 1 0 394.523 3.831 20 30 GHEDRO C=C(C)Cn1c(CCOCC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001263341178 1046724444 /nfs/dbraw/zinc/72/44/44/1046724444.db2.gz FTTWOJREDSSPDX-UXHICEINSA-N 1 0 389.588 3.524 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC1([NH+](C)C)CCC1 ZINC001301970682 1046768018 /nfs/dbraw/zinc/76/80/18/1046768018.db2.gz IMNSFDVFHHTLRN-LJQANCHMSA-N 1 0 394.567 3.534 20 30 GHEDRO CC(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001263405438 1046788584 /nfs/dbraw/zinc/78/85/84/1046788584.db2.gz IRSNENURYMUIHV-PMACEKPBSA-N 1 0 384.572 3.654 20 30 GHEDRO CC(C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001302563056 1046978911 /nfs/dbraw/zinc/97/89/11/1046978911.db2.gz QMCPUWVNZAYFEV-ICSRJNTNSA-N 1 0 380.540 3.977 20 30 GHEDRO CC(C)c1nnc(N(C)[C@H](C)CC#N)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001302566762 1046980561 /nfs/dbraw/zinc/98/05/61/1046980561.db2.gz CTHGHXFPCRUIJS-GOSISDBHSA-N 1 0 380.540 3.588 20 30 GHEDRO N#Cc1cc(C(=O)O[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cs1 ZINC001263612717 1046997164 /nfs/dbraw/zinc/99/71/64/1046997164.db2.gz RQDCHJRSBJQOMR-IBGZPJMESA-N 1 0 396.512 3.990 20 30 GHEDRO CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)C)[NH+](C)C ZINC001302808214 1047117234 /nfs/dbraw/zinc/11/72/34/1047117234.db2.gz NMPUMEJSSVGDDA-FQEVSTJZSA-N 1 0 382.556 3.885 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc2[nH]c(Cc3ccc(OC)cc3)nc2c1 ZINC001303061624 1047267539 /nfs/dbraw/zinc/26/75/39/1047267539.db2.gz YFLMMWLMCOUFJC-UHFFFAOYSA-N 1 0 378.476 3.609 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001303263526 1047329207 /nfs/dbraw/zinc/32/92/07/1047329207.db2.gz PEENXBMGDCVJLQ-CTNGQTDRSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303626976 1047455081 /nfs/dbraw/zinc/45/50/81/1047455081.db2.gz AUVLYQDPNRBUQY-GOSISDBHSA-N 1 0 382.556 3.836 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CC1([NH+](C)C)CCCC1 ZINC001303640111 1047462858 /nfs/dbraw/zinc/46/28/58/1047462858.db2.gz HZIQXUVQOBLRGK-QGZVFWFLSA-N 1 0 398.530 3.621 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)[N@H+](C)C1CC1 ZINC001303701497 1047486343 /nfs/dbraw/zinc/48/63/43/1047486343.db2.gz QTPRQTKUGYACLA-AOMKIAJQSA-N 1 0 396.514 3.697 20 30 GHEDRO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCC1 ZINC001303744054 1047501824 /nfs/dbraw/zinc/50/18/24/1047501824.db2.gz FRFJYGQBDTXIOU-SFHVURJKSA-N 1 0 384.572 3.798 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2cccc(Cl)c2Cl)C3)cc1C#N ZINC001279201915 1047742015 /nfs/dbraw/zinc/74/20/15/1047742015.db2.gz PFGXDAIDNJETOY-QAPCUYQASA-N 1 0 389.330 3.910 20 30 GHEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001305074887 1047875944 /nfs/dbraw/zinc/87/59/44/1047875944.db2.gz ZFFYXCSTYVZYPL-OALUTQOASA-N 1 0 392.551 3.785 20 30 GHEDRO N#Cc1ccc(CN2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1Br ZINC001279671189 1047908762 /nfs/dbraw/zinc/90/87/62/1047908762.db2.gz NPIOJAVGRPDIPV-UHFFFAOYSA-N 1 0 399.336 3.747 20 30 GHEDRO CCN(C(=O)C12CC([NH2+]Cc3ccc(C#N)cc3Br)(C1)C2)C(C)C ZINC001279962429 1048015112 /nfs/dbraw/zinc/01/51/12/1048015112.db2.gz XMSWXWBORJDOFX-UHFFFAOYSA-N 1 0 390.325 3.590 20 30 GHEDRO CCC(CC)[C@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001305452342 1048063694 /nfs/dbraw/zinc/06/36/94/1048063694.db2.gz XPTUKPFFMKYVFY-KNBMTAEXSA-N 1 0 378.540 3.600 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CC23C[NH+](CCCc2ccc(Cl)c(Cl)c2)C3)CCC1 ZINC001280054647 1048065933 /nfs/dbraw/zinc/06/59/33/1048065933.db2.gz MXOALYLAVNOKMX-OAHLLOKOSA-N 1 0 392.330 3.810 20 30 GHEDRO C=CCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1nc2c(cccc2O)s1 ZINC001280120352 1048091490 /nfs/dbraw/zinc/09/14/90/1048091490.db2.gz HMHYPDJQCQZXRP-CYBMUJFWSA-N 1 0 389.546 3.714 20 30 GHEDRO CSCCC[NH+]1CCC2(CCC(CC(=O)N3CC(CC#N)C3)CC2)CC1 ZINC001280279317 1048160081 /nfs/dbraw/zinc/16/00/81/1048160081.db2.gz VGUCATKXMSIURK-UHFFFAOYSA-N 1 0 377.598 3.774 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C13CC([NH2+]Cc4nccs4)(C1)C3)CCCC2 ZINC001280332778 1048188201 /nfs/dbraw/zinc/18/82/01/1048188201.db2.gz HMMCAVWBIGIUQE-UHFFFAOYSA-N 1 0 384.530 3.606 20 30 GHEDRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001305711791 1048227024 /nfs/dbraw/zinc/22/70/24/1048227024.db2.gz DEDHEYHAXWDBTR-LAUBAEHRSA-N 1 0 392.567 3.675 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[NH+]1CCCCC1 ZINC001286278123 1048248887 /nfs/dbraw/zinc/24/88/87/1048248887.db2.gz LKZRORFOWCEFIA-ROUUACIJSA-N 1 0 399.514 3.501 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001286293256 1048259046 /nfs/dbraw/zinc/25/90/46/1048259046.db2.gz MPYXHRBYZZMVLP-LJQANCHMSA-N 1 0 391.563 3.916 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286299957 1048262912 /nfs/dbraw/zinc/26/29/12/1048262912.db2.gz KADOWLKSYGMWRJ-QZTJIDSGSA-N 1 0 399.608 3.899 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001286302708 1048264628 /nfs/dbraw/zinc/26/46/28/1048264628.db2.gz VOCQQLGLHSQLNL-WOJBJXKFSA-N 1 0 397.567 3.662 20 30 GHEDRO C#CCCCCn1c(CC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286327315 1048274238 /nfs/dbraw/zinc/27/42/38/1048274238.db2.gz IVBMVROUBDAHKV-UHFFFAOYSA-N 1 0 385.600 3.981 20 30 GHEDRO C#CCN(CC)c1nnc(CC)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001286446305 1048326736 /nfs/dbraw/zinc/32/67/36/1048326736.db2.gz HAGZRXWEWXQVMP-FPOVZHCZSA-N 1 0 379.552 3.601 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001286516343 1048344243 /nfs/dbraw/zinc/34/42/43/1048344243.db2.gz ALMPSSHGTZFAQB-HTAPYJJXSA-N 1 0 381.524 3.571 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286570588 1048368841 /nfs/dbraw/zinc/36/88/41/1048368841.db2.gz CHVNBXUADWDWGN-IBGZPJMESA-N 1 0 382.556 3.865 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286643963 1048409260 /nfs/dbraw/zinc/40/92/60/1048409260.db2.gz CDGKUFNNAMWVHK-RTBURBONSA-N 1 0 380.540 3.617 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001286644211 1048409842 /nfs/dbraw/zinc/40/98/42/1048409842.db2.gz NPXUZQXCJZMBRY-GOSISDBHSA-N 1 0 382.537 3.794 20 30 GHEDRO C=CC1CCN(c2nnc(C3CC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001286660629 1048426853 /nfs/dbraw/zinc/42/68/53/1048426853.db2.gz OCVVJDSISKFGGW-HXUWFJFHSA-N 1 0 383.515 4.000 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286662774 1048429377 /nfs/dbraw/zinc/42/93/77/1048429377.db2.gz XWPQKSCCJZHNCM-NRFANRHFSA-N 1 0 396.583 3.643 20 30 GHEDRO C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286696326 1048456236 /nfs/dbraw/zinc/45/62/36/1048456236.db2.gz APAFJSAVVOSGQQ-OAQYLSRUSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286724329 1048481274 /nfs/dbraw/zinc/48/12/74/1048481274.db2.gz KYGMGHDWNTXXET-FQEVSTJZSA-N 1 0 385.531 3.751 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001286728294 1048484725 /nfs/dbraw/zinc/48/47/25/1048484725.db2.gz UGRFTBYZOCFTQE-HXUWFJFHSA-N 1 0 382.556 3.541 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccc2OC)n1CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC001286736033 1048494700 /nfs/dbraw/zinc/49/47/00/1048494700.db2.gz XHTJKIOGRUABGU-SFHVURJKSA-N 1 0 395.551 3.517 20 30 GHEDRO C=CCN(c1nnc(C2CCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC001286737293 1048495417 /nfs/dbraw/zinc/49/54/17/1048495417.db2.gz MILMLGPDHQPAFZ-IAGOWNOFSA-N 1 0 387.572 3.588 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC(C)(C)C[NH+](C)C ZINC001286742964 1048500356 /nfs/dbraw/zinc/50/03/56/1048500356.db2.gz XGJMFWXUAXNVFQ-UHFFFAOYSA-N 1 0 392.551 3.808 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CC[C@]2(CCSC2)C1)C(C)C ZINC001286751032 1048504671 /nfs/dbraw/zinc/50/46/71/1048504671.db2.gz LHNBKANQDHWJOR-CTNGQTDRSA-N 1 0 389.613 3.619 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)[NH+](C)C ZINC001286762290 1048514988 /nfs/dbraw/zinc/51/49/88/1048514988.db2.gz DCKCXUDCWDQRFZ-FPOVZHCZSA-N 1 0 397.567 3.705 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001286772100 1048520073 /nfs/dbraw/zinc/52/00/73/1048520073.db2.gz MEBQBYKONPDJBH-UHFFFAOYSA-N 1 0 377.492 3.663 20 30 GHEDRO C=CCn1c(N2CCC[N@@H+](C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001286777717 1048522488 /nfs/dbraw/zinc/52/24/88/1048522488.db2.gz JYYWLALBCFINHI-UHFFFAOYSA-N 1 0 379.552 3.855 20 30 GHEDRO C=CCOc1ccc(Cn2c(C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001286794790 1048524930 /nfs/dbraw/zinc/52/49/30/1048524930.db2.gz RGQRLYQPTFPBJG-UHFFFAOYSA-N 1 0 397.567 3.756 20 30 GHEDRO CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001287020616 1048577539 /nfs/dbraw/zinc/57/75/39/1048577539.db2.gz JPRCMJATYIHMHS-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001287361017 1048733960 /nfs/dbraw/zinc/73/39/60/1048733960.db2.gz UPIZLPOEDNZKBS-CTNGQTDRSA-N 1 0 394.567 3.737 20 30 GHEDRO CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001287576551 1048830639 /nfs/dbraw/zinc/83/06/39/1048830639.db2.gz YYBMSQUNFQPUBH-QGZVFWFLSA-N 1 0 380.540 3.782 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C#N)CC1 ZINC001287913301 1048944021 /nfs/dbraw/zinc/94/40/21/1048944021.db2.gz XXKLHLZQRPUABF-UHFFFAOYSA-N 1 0 392.507 3.771 20 30 GHEDRO COC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c(C#N)n1 ZINC001306932574 1048966419 /nfs/dbraw/zinc/96/64/19/1048966419.db2.gz YYFQKFBFWPSVIX-IAGOWNOFSA-N 1 0 392.503 3.830 20 30 GHEDRO C[NH+](C)[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)c1ccc(F)cc1 ZINC001306936678 1048967905 /nfs/dbraw/zinc/96/79/05/1048967905.db2.gz RZJMZAUVDHFZCW-LJQANCHMSA-N 1 0 377.423 3.994 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)CC ZINC001307052977 1049043242 /nfs/dbraw/zinc/04/32/42/1049043242.db2.gz AWYVVTFSUMMYJK-HXUWFJFHSA-N 1 0 380.540 3.927 20 30 GHEDRO C[C@H](Cn1c(N(C)[C@@H](C)CC#N)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001288679578 1049195155 /nfs/dbraw/zinc/19/51/55/1049195155.db2.gz NXVDGWZJEOGJAB-ZWKOTPCHSA-N 1 0 382.556 3.834 20 30 GHEDRO N#Cc1cc2c(n(Cc3ccccc3Cl)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001307374128 1049230622 /nfs/dbraw/zinc/23/06/22/1049230622.db2.gz UIYNDVQMMKUSFM-UHFFFAOYSA-N 1 0 389.886 3.980 20 30 GHEDRO CO[C@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)C ZINC001307482882 1049320143 /nfs/dbraw/zinc/32/01/43/1049320143.db2.gz SXYBLQVFRXGAIH-HUUCEWRRSA-N 1 0 377.554 3.818 20 30 GHEDRO Cc1ccc(N2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@@H](C)C2)cc1C ZINC001307511145 1049353324 /nfs/dbraw/zinc/35/33/24/1049353324.db2.gz LBTZYVCLOUTYDU-IBGZPJMESA-N 1 0 376.504 3.714 20 30 GHEDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCCOc1ccc(C#N)cc1 ZINC001307565871 1049406224 /nfs/dbraw/zinc/40/62/24/1049406224.db2.gz UQZRBAVHVNZLPW-OAQYLSRUSA-N 1 0 375.513 3.856 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C(C)(C)C ZINC001307718892 1049532868 /nfs/dbraw/zinc/53/28/68/1049532868.db2.gz DUDPDWKPLWJKJI-GOSISDBHSA-N 1 0 375.513 3.856 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C12CCCC2 ZINC001307754115 1049569206 /nfs/dbraw/zinc/56/92/06/1049569206.db2.gz KXFRNYDBMKJMON-NHCUHLMSSA-N 1 0 383.536 3.878 20 30 GHEDRO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001307810561 1049607743 /nfs/dbraw/zinc/60/77/43/1049607743.db2.gz CKLIHYBOPJNSDS-JOCHJYFZSA-N 1 0 379.504 3.757 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)C1 ZINC001307830962 1049621777 /nfs/dbraw/zinc/62/17/77/1049621777.db2.gz QNGUXNTWODUKJZ-PMACEKPBSA-N 1 0 384.524 3.955 20 30 GHEDRO N#Cc1cccc(OCC[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c1 ZINC001307954539 1049719879 /nfs/dbraw/zinc/71/98/79/1049719879.db2.gz PXVFNLKJRJEKJI-UHFFFAOYSA-N 1 0 380.492 3.932 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290720368 1049908678 /nfs/dbraw/zinc/90/86/78/1049908678.db2.gz HROJHLDMJNRLMX-RTBURBONSA-N 1 0 394.567 3.853 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCNc1ncccc1C(F)(F)F ZINC001308297797 1049941443 /nfs/dbraw/zinc/94/14/43/1049941443.db2.gz LUWPSIBKHNVCCZ-UHFFFAOYSA-N 1 0 383.801 3.968 20 30 GHEDRO COc1ccc(Cl)cc1[C@H](O)C[NH2+]Cc1cc(C#N)ccc1Br ZINC001308403912 1049968372 /nfs/dbraw/zinc/96/83/72/1049968372.db2.gz YSJLCWPBDQUQLE-MRXNPFEDSA-N 1 0 395.684 3.806 20 30 GHEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308851444 1050123704 /nfs/dbraw/zinc/12/37/04/1050123704.db2.gz LUTVOQGOEYPALA-UGKGYDQZSA-N 1 0 387.524 3.561 20 30 GHEDRO COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1C#N ZINC001308919782 1050169300 /nfs/dbraw/zinc/16/93/00/1050169300.db2.gz RLXYCDPIXDEUJO-JLYLLQBASA-N 1 0 385.508 3.835 20 30 GHEDRO C[N@@H+]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CCC1(C)C ZINC001310350161 1051301964 /nfs/dbraw/zinc/30/19/64/1051301964.db2.gz GOTIWTAUZJUSNG-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO CCCn1c(C)cc(-c2csc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)c1C ZINC001331977529 1051429010 /nfs/dbraw/zinc/42/90/10/1051429010.db2.gz YAESNIHDJLQOGW-ZGOJQLDESA-N 1 0 397.548 3.716 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001332343420 1051504086 /nfs/dbraw/zinc/50/40/86/1051504086.db2.gz JHDBWVICJQZGOD-HZPDHXFCSA-N 1 0 376.501 3.801 20 30 GHEDRO Cc1cc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC001310836905 1051634372 /nfs/dbraw/zinc/63/43/72/1051634372.db2.gz MYZYSOJTZJLOJC-FQEVSTJZSA-N 1 0 391.519 3.719 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001310862972 1051662071 /nfs/dbraw/zinc/66/20/71/1051662071.db2.gz CXPFCCXFDLEWOY-BBRMVZONSA-N 1 0 394.313 3.572 20 30 GHEDRO COc1cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c(F)cc1C#N ZINC001311033489 1051790510 /nfs/dbraw/zinc/79/05/10/1051790510.db2.gz NXECNRQUAVGHRS-SFHVURJKSA-N 1 0 376.476 3.584 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)ncc1C#N ZINC001311071216 1051824521 /nfs/dbraw/zinc/82/45/21/1051824521.db2.gz IZKQNSUCNHDWEZ-KRWDZBQOSA-N 1 0 377.492 3.958 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001333813115 1051846028 /nfs/dbraw/zinc/84/60/28/1051846028.db2.gz DIZGQEFVNFZOKA-CLWJZODNSA-N 1 0 377.479 3.954 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)Cc1ccccc1 ZINC001311136485 1051895258 /nfs/dbraw/zinc/89/52/58/1051895258.db2.gz RRQPTOPGUAPKMH-KRWDZBQOSA-N 1 0 386.446 3.911 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(C)C ZINC001311387545 1052078505 /nfs/dbraw/zinc/07/85/05/1052078505.db2.gz FAAJNKCEZVTBSE-KFKAGJAMSA-N 1 0 395.469 3.958 20 30 GHEDRO CN(C)C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC001335461533 1052108569 /nfs/dbraw/zinc/10/85/69/1052108569.db2.gz WQTYRPSEGLEKLY-RBUKOAKNSA-N 1 0 377.410 3.503 20 30 GHEDRO C#CCN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1)C1CCCCC1 ZINC001313266653 1053001508 /nfs/dbraw/zinc/00/15/08/1053001508.db2.gz YJAFNSBXJWANNI-UHFFFAOYSA-N 1 0 397.563 3.645 20 30 GHEDRO C=CCn1c(-c2ccc(OC(F)F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342438233 1053168667 /nfs/dbraw/zinc/16/86/67/1053168667.db2.gz IFRQFAISCMVUCT-UHFFFAOYSA-N 1 0 391.466 3.699 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C#N)CC1 ZINC001313725019 1053191973 /nfs/dbraw/zinc/19/19/73/1053191973.db2.gz XPZDGWVEMOSWDE-LJQANCHMSA-N 1 0 394.567 3.648 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313761985 1053209898 /nfs/dbraw/zinc/20/98/98/1053209898.db2.gz NIBBGJIWNAIWEC-SFHVURJKSA-N 1 0 392.551 3.785 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001342542939 1053229280 /nfs/dbraw/zinc/22/92/80/1053229280.db2.gz QWGQKWSWOUUPOP-UHFFFAOYSA-N 1 0 395.551 3.753 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001313891447 1053273236 /nfs/dbraw/zinc/27/32/36/1053273236.db2.gz SDLIIRNWWLEQDO-KRWDZBQOSA-N 1 0 398.942 3.680 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(CCC#N)CC1CC1 ZINC001313902221 1053279659 /nfs/dbraw/zinc/27/96/59/1053279659.db2.gz WCPLHHMYXAXJNK-IBGZPJMESA-N 1 0 398.580 3.545 20 30 GHEDRO CC(C)Cn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1C(C)(C)CC#N ZINC001342876274 1053403499 /nfs/dbraw/zinc/40/34/99/1053403499.db2.gz ZAOLYCLNKZAEJV-UHFFFAOYSA-N 1 0 386.588 3.970 20 30 GHEDRO CCn1c(N2CCC[C@H](C#N)C2)nnc1[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001343002297 1053489684 /nfs/dbraw/zinc/48/96/84/1053489684.db2.gz RQZYHDQESBKMES-JBYIUTFZSA-N 1 0 396.514 3.670 20 30 GHEDRO CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCC1 ZINC001314788581 1053612761 /nfs/dbraw/zinc/61/27/61/1053612761.db2.gz INLIYKBSCZZGCG-LJQANCHMSA-N 1 0 390.535 3.705 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nnc1C(F)(F)CC1CC1 ZINC001343376482 1053734604 /nfs/dbraw/zinc/73/46/04/1053734604.db2.gz VITFQGIVBGQUEU-OKZBNKHCSA-N 1 0 393.526 3.913 20 30 GHEDRO COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[NH+]2CCCCCC2)cc1 ZINC001315378111 1053785238 /nfs/dbraw/zinc/78/52/38/1053785238.db2.gz FBHNTAHQRWQLTC-SFHVURJKSA-N 1 0 396.539 3.568 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2CC(C)C)CC1)CC1CC1 ZINC001343556744 1053877048 /nfs/dbraw/zinc/87/70/48/1053877048.db2.gz HNTGRXVSFJFQOD-LEWJYISDSA-N 1 0 398.599 3.900 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343583630 1053906465 /nfs/dbraw/zinc/90/64/65/1053906465.db2.gz RFZHIXZQSQEUFI-RBUKOAKNSA-N 1 0 389.588 3.836 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 ZINC001343763925 1054006735 /nfs/dbraw/zinc/00/67/35/1054006735.db2.gz VJDIQMNFRVYJSN-SFHVURJKSA-N 1 0 383.517 3.770 20 30 GHEDRO Cn1ccnc1[C@H](C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001343843372 1054061211 /nfs/dbraw/zinc/06/12/11/1054061211.db2.gz UVTWQBCDBVAXGY-QHAWAJNXSA-N 1 0 376.504 3.535 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001344002967 1054176642 /nfs/dbraw/zinc/17/66/42/1054176642.db2.gz DEDMWCOFCJTHSJ-LJQANCHMSA-N 1 0 382.556 3.701 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001318455061 1054651571 /nfs/dbraw/zinc/65/15/71/1054651571.db2.gz MKFSLFKIHQSQSB-UHFFFAOYSA-N 1 0 394.519 3.633 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)Nc2ccc(OCC#N)cc2)cc1 ZINC001318639089 1054763569 /nfs/dbraw/zinc/76/35/69/1054763569.db2.gz BRPORQNYHXDSBR-UHFFFAOYSA-N 1 0 382.464 3.954 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccc(N2CCOCC2)cc1Cl ZINC001319767594 1055456469 /nfs/dbraw/zinc/45/64/69/1055456469.db2.gz NWUDLTCIDWEGHE-INIZCTEOSA-N 1 0 385.895 3.930 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC001320159520 1055681991 /nfs/dbraw/zinc/68/19/91/1055681991.db2.gz GTNANUAQXCNNRC-OAQYLSRUSA-N 1 0 378.472 3.923 20 30 GHEDRO C=CCO[C@H]1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001320321617 1055752743 /nfs/dbraw/zinc/75/27/43/1055752743.db2.gz NZXQESHYPNPKBN-AWEZNQCLSA-N 1 0 382.489 3.507 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](C(=O)NC4CC4)C3)c2)c1 ZINC001320494705 1055840434 /nfs/dbraw/zinc/84/04/34/1055840434.db2.gz WIRGNMPPKBWFNZ-NRFANRHFSA-N 1 0 389.499 3.628 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+](C)[C@H](C)CC ZINC001300560565 1056478097 /nfs/dbraw/zinc/47/80/97/1056478097.db2.gz DSJUHLSLIJUDGL-GOSISDBHSA-N 1 0 397.954 3.792 20 30 GHEDRO C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001300633758 1056735171 /nfs/dbraw/zinc/73/51/71/1056735171.db2.gz NSTPXTCLZLKXNO-UHFFFAOYSA-N 1 0 379.552 3.580 20 30 GHEDRO CC1(C#N)CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001324074473 1057065491 /nfs/dbraw/zinc/06/54/91/1057065491.db2.gz BLOUUQKFTYNOCE-SEJPIABJSA-N 1 0 380.536 3.907 20 30 GHEDRO CC(C)(CNC(=O)[C@H]([NH3+])CCCCC#N)Sc1ccc(Br)cc1 ZINC000848404007 1057067479 /nfs/dbraw/zinc/06/74/79/1057067479.db2.gz CUPHTDHFSCZBES-OAHLLOKOSA-N 1 0 398.370 3.847 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Nc3ccccc3)CC2)c(OC)c1 ZINC001324271243 1057101971 /nfs/dbraw/zinc/10/19/71/1057101971.db2.gz XRTLORIVOUHCMD-QFIPXVFZSA-N 1 0 396.531 3.740 20 30 GHEDRO C=CC[C@H]1NC(=O)N(Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC001325012675 1057263041 /nfs/dbraw/zinc/26/30/41/1057263041.db2.gz UCLGMVUOGOSXOO-JOCHJYFZSA-N 1 0 389.499 3.946 20 30 GHEDRO C=CCn1c(-c2ccc(C)nc2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001355836806 1057288756 /nfs/dbraw/zinc/28/87/56/1057288756.db2.gz VVSSMBDQZUXUEE-UHFFFAOYSA-N 1 0 380.540 3.598 20 30 GHEDRO C=C[C@@H](COC)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001325620215 1057347095 /nfs/dbraw/zinc/34/70/95/1057347095.db2.gz SEHQJGPKRAMKSD-SFHVURJKSA-N 1 0 378.432 3.738 20 30 GHEDRO C[C@H](c1ccccc1)N1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001325872170 1057377101 /nfs/dbraw/zinc/37/71/01/1057377101.db2.gz UBELIXIVMNMOEB-GOSISDBHSA-N 1 0 376.504 3.702 20 30 GHEDRO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001356093564 1057387215 /nfs/dbraw/zinc/38/72/15/1057387215.db2.gz BEYPHXHYUGGKKL-QGZVFWFLSA-N 1 0 381.515 3.924 20 30 GHEDRO N#Cc1cccc2c1CCCN2C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC001326332781 1057458351 /nfs/dbraw/zinc/45/83/51/1057458351.db2.gz IXIPKGGKPWRHKL-OAQYLSRUSA-N 1 0 377.513 3.628 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001326669981 1057531993 /nfs/dbraw/zinc/53/19/93/1057531993.db2.gz JIUXCJLHSSYBGN-DSBNJHONSA-N 1 0 383.536 3.605 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCC1(c2ccc(Br)s2)CCC1 ZINC000849051657 1057561275 /nfs/dbraw/zinc/56/12/75/1057561275.db2.gz FIONGPLDPWQBDA-UHFFFAOYSA-N 1 0 382.327 3.891 20 30 GHEDRO Cc1ccc([C@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)N2CCOCC2)o1 ZINC000849054267 1057564996 /nfs/dbraw/zinc/56/49/96/1057564996.db2.gz ZGLQJDYDEKTYTH-NRFANRHFSA-N 1 0 396.535 3.915 20 30 GHEDRO C=C(C)Cn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001357178425 1057625051 /nfs/dbraw/zinc/62/50/51/1057625051.db2.gz DQNCSUOZFCEFJO-PMACEKPBSA-N 1 0 392.551 3.788 20 30 GHEDRO Cn1c(CCCCC#N)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001338087720 1058398585 /nfs/dbraw/zinc/39/85/85/1058398585.db2.gz LMBGOXKPXPNXGW-NHCUHLMSSA-N 1 0 392.551 3.542 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001338387427 1058541615 /nfs/dbraw/zinc/54/16/15/1058541615.db2.gz KWZWWZJAMBPMPE-UHFFFAOYSA-N 1 0 381.545 3.647 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC001441364331 1058767221 /nfs/dbraw/zinc/76/72/21/1058767221.db2.gz WGDBWOSQLFWXEN-NJNPRVFISA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001338815043 1058807256 /nfs/dbraw/zinc/80/72/56/1058807256.db2.gz MNCDBCLAQRTLGK-UHFFFAOYSA-N 1 0 395.555 3.576 20 30 GHEDRO C=CCn1c([C@@H]2CCCN2Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001338920284 1058880732 /nfs/dbraw/zinc/88/07/32/1058880732.db2.gz ARSQRUHNRBWIOA-NRFANRHFSA-N 1 0 390.535 3.931 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339123189 1058970084 /nfs/dbraw/zinc/97/00/84/1058970084.db2.gz KBRZIXZEDUYGKG-INIZCTEOSA-N 1 0 379.499 3.822 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001339141236 1058979032 /nfs/dbraw/zinc/97/90/32/1058979032.db2.gz XIVDDLFWDXSMAF-LWYYNNOASA-N 1 0 387.572 3.508 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@H](OC)C1CCCC1 ZINC001339141262 1058979386 /nfs/dbraw/zinc/97/93/86/1058979386.db2.gz XOTDGGFRRKXDSC-LJQANCHMSA-N 1 0 399.543 3.549 20 30 GHEDRO Cn1c(CCCCC#N)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001339695849 1059397570 /nfs/dbraw/zinc/39/75/70/1059397570.db2.gz NRWHEVPYCFQSKV-QHCPKHFHSA-N 1 0 392.551 3.544 20 30 GHEDRO C#CC1CCC(c2nnc(N(C)C3CC[NH+](CCC(F)(F)F)CC3)n2C)CC1 ZINC001340074302 1059671482 /nfs/dbraw/zinc/67/14/82/1059671482.db2.gz RNQQGHJTUHJHKL-UHFFFAOYSA-N 1 0 397.489 3.575 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001340223199 1059776102 /nfs/dbraw/zinc/77/61/02/1059776102.db2.gz BSVSPSLILFQHKG-WOJBJXKFSA-N 1 0 384.572 3.964 20 30 GHEDRO C=CCn1c(C2CCC(OC(C)C)CC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340328880 1059862453 /nfs/dbraw/zinc/86/24/53/1059862453.db2.gz BNFOSYMAEZXLFS-UHFFFAOYSA-N 1 0 389.588 3.882 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@@H]1CCCC1(F)F ZINC001340505840 1059954545 /nfs/dbraw/zinc/95/45/45/1059954545.db2.gz JGKRVDVHYRKCPH-INIZCTEOSA-N 1 0 391.470 3.574 20 30 GHEDRO CCN(C(=O)/C=C\C(=O)c1ccc(C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001447364870 1059955855 /nfs/dbraw/zinc/95/58/55/1059955855.db2.gz ZRDZQYIJJVKPPJ-MBWOQUJGSA-N 1 0 376.500 3.857 20 30 GHEDRO C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001340534560 1059966791 /nfs/dbraw/zinc/96/67/91/1059966791.db2.gz LJGXIFUHUXLSEB-UHFFFAOYSA-N 1 0 378.524 3.508 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001340779104 1060118440 /nfs/dbraw/zinc/11/84/40/1060118440.db2.gz YMCYOFXQDLBFCI-YNBOMUFVSA-N 1 0 397.489 3.658 20 30 GHEDRO CCn1c(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nnc1C(C)(C)CC#N ZINC001341126725 1060427975 /nfs/dbraw/zinc/42/79/75/1060427975.db2.gz GRMCAMQKDPHJHE-SFHVURJKSA-N 1 0 380.540 3.590 20 30 GHEDRO C[NH+]1CCC2(CCC(NC(=O)c3cccc(C#N)c3Br)CC2)CC1 ZINC001450232983 1060560094 /nfs/dbraw/zinc/56/00/94/1060560094.db2.gz YGDHAKVXSQTIJT-UHFFFAOYSA-N 1 0 390.325 3.705 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC001450279160 1060569107 /nfs/dbraw/zinc/56/91/07/1060569107.db2.gz XASDRYCJWRNIFN-QZTJIDSGSA-N 1 0 375.310 3.647 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)nn1-c1cccc(C#N)c1 ZINC001451385000 1060770308 /nfs/dbraw/zinc/77/03/08/1060770308.db2.gz QFEVBWMORKCRKH-UHFFFAOYSA-N 1 0 377.423 3.505 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCC3)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001341738664 1060848922 /nfs/dbraw/zinc/84/89/22/1060848922.db2.gz BUXRENYSBZTKOE-QHCPKHFHSA-N 1 0 397.567 3.645 20 30 GHEDRO C=C(C)Cn1c(-c2ccco2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001341930121 1060956514 /nfs/dbraw/zinc/95/65/14/1060956514.db2.gz MLFRLNFSGPULMI-UHFFFAOYSA-N 1 0 397.445 3.967 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[N@@H+](C)CCC)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001342190168 1061119092 /nfs/dbraw/zinc/11/90/92/1061119092.db2.gz VHCBVYLMGNRJCO-XXBNENTESA-N 1 0 396.583 3.748 20 30 GHEDRO C=CCn1c(-c2cccc3ocnc32)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342207903 1061135763 /nfs/dbraw/zinc/13/57/63/1061135763.db2.gz NNUHUQHRNPWJLE-UHFFFAOYSA-N 1 0 392.507 3.727 20 30 GHEDRO N#CC1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCCCC1 ZINC001453571357 1061158040 /nfs/dbraw/zinc/15/80/40/1061158040.db2.gz WVZPAHRRJYEEFB-GOSISDBHSA-N 1 0 375.463 3.734 20 30 GHEDRO C=C(C)Cn1c([C@@H](OC)c2cccs2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001345951296 1061237255 /nfs/dbraw/zinc/23/72/55/1061237255.db2.gz JJUBSQLUGUAQJJ-SFHVURJKSA-N 1 0 389.569 3.618 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@H]3C[C@H]3C#N)n2CC2CC2)CC1)CC(C)C ZINC001346054081 1061322937 /nfs/dbraw/zinc/32/29/37/1061322937.db2.gz LQLZGFAAYYOFFI-SFTDATJTSA-N 1 0 398.599 3.900 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nnc1C1(C#N)CCCC1 ZINC001346173836 1061427720 /nfs/dbraw/zinc/42/77/20/1061427720.db2.gz ISJVZVBFXKLCPO-SFHVURJKSA-N 1 0 382.556 3.500 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC001346417822 1061554090 /nfs/dbraw/zinc/55/40/90/1061554090.db2.gz LUGQTBINJNEFAK-CQDKDKBSSA-N 1 0 377.357 3.503 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001346496847 1061611989 /nfs/dbraw/zinc/61/19/89/1061611989.db2.gz XPWIKCFDKZUDAI-OALUTQOASA-N 1 0 382.556 3.569 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC001454641425 1061897361 /nfs/dbraw/zinc/89/73/61/1061897361.db2.gz WIMUIOLYBFVUNK-UHFFFAOYSA-N 1 0 376.884 3.925 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2CC)c2ccccc2)CC1 ZINC001455949445 1062365576 /nfs/dbraw/zinc/36/55/76/1062365576.db2.gz YABSHDRSASUYOO-QHCPKHFHSA-N 1 0 376.500 3.583 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3csc(C#N)c3)c(C(F)(F)F)c2)CC1 ZINC001347770324 1062645859 /nfs/dbraw/zinc/64/58/59/1062645859.db2.gz FICOBNXQWHOAIZ-UHFFFAOYSA-N 1 0 394.422 3.643 20 30 GHEDRO N#CCCCc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC1CC1 ZINC001347822622 1062700433 /nfs/dbraw/zinc/70/04/33/1062700433.db2.gz MQWWSGHYZZZKJO-FQEVSTJZSA-N 1 0 384.572 3.627 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1OCCC[N@@H+](C)C1CCCC1 ZINC001457161144 1062992975 /nfs/dbraw/zinc/99/29/75/1062992975.db2.gz DDYHHUGRKCSZNY-RTWAWAEBSA-N 1 0 386.536 3.537 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c1C#N ZINC001457526547 1063224813 /nfs/dbraw/zinc/22/48/13/1063224813.db2.gz KZRJUXUPFJIFNE-ZWKOTPCHSA-N 1 0 393.535 3.982 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001437217648 1063786957 /nfs/dbraw/zinc/78/69/57/1063786957.db2.gz TYODUKRIBBOQRM-YADHBBJMSA-N 1 0 389.499 3.884 20 30 GHEDRO CC(C)(C)OCCC[NH+]1CCN(c2cc(Br)ccc2C#N)CC1 ZINC001458554461 1063889027 /nfs/dbraw/zinc/88/90/27/1063889027.db2.gz AMNLQKXRKGKGRV-UHFFFAOYSA-N 1 0 380.330 3.648 20 30 GHEDRO C=C[C@](C)(CC)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001438261513 1064020545 /nfs/dbraw/zinc/02/05/45/1064020545.db2.gz YAZQJSKWRDXKJJ-OAQYLSRUSA-N 1 0 388.512 3.680 20 30 GHEDRO C=C[C@@](C)(CC)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001438261499 1064020646 /nfs/dbraw/zinc/02/06/46/1064020646.db2.gz YAZQJSKWRDXKJJ-NRFANRHFSA-N 1 0 388.512 3.680 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC001459311057 1064057412 /nfs/dbraw/zinc/05/74/12/1064057412.db2.gz IJUPTIZXAINPSW-KRWDZBQOSA-N 1 0 375.472 3.617 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC12CCC2 ZINC001459815612 1064229071 /nfs/dbraw/zinc/22/90/71/1064229071.db2.gz CWEPFIWSCLVWKZ-MRXNPFEDSA-N 1 0 378.438 3.685 20 30 GHEDRO CC(C)(C)[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 ZINC001459817627 1064230113 /nfs/dbraw/zinc/23/01/13/1064230113.db2.gz MXAIHGMXRNPALR-FQEVSTJZSA-N 1 0 378.447 3.802 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC001459880764 1064255055 /nfs/dbraw/zinc/25/50/55/1064255055.db2.gz FNOBDDBVIJXUPE-CEWLAPEOSA-N 1 0 385.552 3.668 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001352150077 1064885529 /nfs/dbraw/zinc/88/55/29/1064885529.db2.gz GVZJFVAFMICFEN-ZXFUBFMLSA-N 1 0 395.473 3.578 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC001464453890 1065019113 /nfs/dbraw/zinc/01/91/13/1065019113.db2.gz UNIGRAWEJKRJIE-ZDUSSCGKSA-N 1 0 378.314 3.561 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001464483141 1065039334 /nfs/dbraw/zinc/03/93/34/1065039334.db2.gz DHOFXSUNERIFNU-IBGZPJMESA-N 1 0 393.572 3.713 20 30 GHEDRO C=CCNC(=S)Nc1ccccc1C[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC001200295286 1065845103 /nfs/dbraw/zinc/84/51/03/1065845103.db2.gz FDNYVFWHNYGKTR-LJQANCHMSA-N 1 0 389.952 3.978 20 30 GHEDRO N#Cc1c(F)cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1F ZINC001465947272 1065933748 /nfs/dbraw/zinc/93/37/48/1065933748.db2.gz AEBYQNGTSGCQSG-UHFFFAOYSA-N 1 0 385.414 3.953 20 30 GHEDRO CC(=O)c1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000847746053 1066017375 /nfs/dbraw/zinc/01/73/75/1066017375.db2.gz WXSBPTMBJDPXSW-UHFFFAOYSA-N 1 0 382.485 3.913 20 30 GHEDRO C[C@H](OCc1ccccc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745699 1066020253 /nfs/dbraw/zinc/02/02/53/1066020253.db2.gz MRGXCLATOWZXLD-FQEVSTJZSA-N 1 0 392.499 3.941 20 30 GHEDRO Cc1ncccc1/C=C\C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746952 1066025035 /nfs/dbraw/zinc/02/50/35/1066025035.db2.gz SVAZESXWZNQPTM-KTKRTIGZSA-N 1 0 375.472 3.752 20 30 GHEDRO C[C@@H](Sc1ccccn1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748640 1066028087 /nfs/dbraw/zinc/02/80/87/1066028087.db2.gz FBZZHPPGTXLHMK-GOSISDBHSA-N 1 0 395.528 3.911 20 30 GHEDRO C[C@H](Sc1ccccn1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748641 1066029304 /nfs/dbraw/zinc/02/93/04/1066029304.db2.gz FBZZHPPGTXLHMK-SFHVURJKSA-N 1 0 395.528 3.911 20 30 GHEDRO N#CC1(COC(=O)c2cccc3nccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000847747911 1066033663 /nfs/dbraw/zinc/03/36/63/1066033663.db2.gz SICVOCBDIZPJJZ-UHFFFAOYSA-N 1 0 386.455 3.593 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1cc(C#N)ccc1F ZINC001466788419 1066316204 /nfs/dbraw/zinc/31/62/04/1066316204.db2.gz HURNSVGBRIRBST-HOTGVXAUSA-N 1 0 380.467 3.975 20 30 GHEDRO C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001300441224 1066340174 /nfs/dbraw/zinc/34/01/74/1066340174.db2.gz HHZNYBLQJMYRFG-IBGZPJMESA-N 1 0 391.519 3.881 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467196520 1067143154 /nfs/dbraw/zinc/14/31/54/1067143154.db2.gz VYMCEFZESJSEJQ-IRXDYDNUSA-N 1 0 382.430 3.533 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001358879489 1067591850 /nfs/dbraw/zinc/59/18/50/1067591850.db2.gz RYRVKDLEVJCTEO-KXBFYZLASA-N 1 0 395.482 3.746 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001358879746 1067592356 /nfs/dbraw/zinc/59/23/56/1067592356.db2.gz XVYXXISHWGZGEL-IRXDYDNUSA-N 1 0 383.540 3.815 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001358879744 1067592753 /nfs/dbraw/zinc/59/27/53/1067592753.db2.gz XVYXXISHWGZGEL-DLBZAZTESA-N 1 0 383.540 3.815 20 30 GHEDRO C=CCC(C)(C)CNC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC001477731765 1078546363 /nfs/dbraw/zinc/54/63/63/1078546363.db2.gz REJFVYLMMMXJLE-KRWDZBQOSA-N 1 0 390.547 3.930 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001358942798 1067624082 /nfs/dbraw/zinc/62/40/82/1067624082.db2.gz KRWNJUVDGCUXIV-QGZVFWFLSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](C)CC)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001359000459 1067643414 /nfs/dbraw/zinc/64/34/14/1067643414.db2.gz WHLCUSVWYKWIQP-IBGZPJMESA-N 1 0 379.552 3.895 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001359005688 1067647907 /nfs/dbraw/zinc/64/79/07/1067647907.db2.gz RUMKUHRCXKORLW-HXUWFJFHSA-N 1 0 377.536 3.730 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359116595 1067694963 /nfs/dbraw/zinc/69/49/63/1067694963.db2.gz QZUIHHCMWDBFIN-DLBZAZTESA-N 1 0 389.569 3.896 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359116239 1067695219 /nfs/dbraw/zinc/69/52/19/1067695219.db2.gz DEWHFLKPHQTILY-SLFFLAALSA-N 1 0 389.588 3.900 20 30 GHEDRO C=C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001359158698 1067716428 /nfs/dbraw/zinc/71/64/28/1067716428.db2.gz BWAVNCSCNAUJHH-QZTJIDSGSA-N 1 0 389.588 3.620 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001359163192 1067719033 /nfs/dbraw/zinc/71/90/33/1067719033.db2.gz URHCFYNJKVTOMR-UHFFFAOYSA-N 1 0 390.535 3.705 20 30 GHEDRO C=C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001359166595 1067720869 /nfs/dbraw/zinc/72/08/69/1067720869.db2.gz ZIOPVBDYRBMTKS-UHFFFAOYSA-N 1 0 397.567 3.622 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001359177248 1067736970 /nfs/dbraw/zinc/73/69/70/1067736970.db2.gz GIBSSVZFNLXZJO-UHFFFAOYSA-N 1 0 382.556 3.798 20 30 GHEDRO C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359201299 1067768948 /nfs/dbraw/zinc/76/89/48/1067768948.db2.gz IXZGPOUKGHAVKG-SFHVURJKSA-N 1 0 382.556 3.940 20 30 GHEDRO C=CCCC1(CNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCC1 ZINC001468582334 1067779908 /nfs/dbraw/zinc/77/99/08/1067779908.db2.gz WBSIMNSXJZXOJE-JOCHJYFZSA-N 1 0 398.595 3.801 20 30 GHEDRO C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359210262 1067782184 /nfs/dbraw/zinc/78/21/84/1067782184.db2.gz OAEVVKYRPZCCIG-HXUWFJFHSA-N 1 0 395.551 3.985 20 30 GHEDRO C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359210261 1067782330 /nfs/dbraw/zinc/78/23/30/1067782330.db2.gz OAEVVKYRPZCCIG-FQEVSTJZSA-N 1 0 395.551 3.985 20 30 GHEDRO C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359211774 1067784874 /nfs/dbraw/zinc/78/48/74/1067784874.db2.gz OGOYLNDFZHSQJD-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC001359248785 1067893987 /nfs/dbraw/zinc/89/39/87/1067893987.db2.gz BTXHNVCBMOQCTP-QGZVFWFLSA-N 1 0 383.515 3.971 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001359250802 1067900626 /nfs/dbraw/zinc/90/06/26/1067900626.db2.gz UQSMFSHMSAUWRB-TZIWHRDSSA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001359254412 1067909624 /nfs/dbraw/zinc/90/96/24/1067909624.db2.gz QHIMJDRCQWBVHV-SFHVURJKSA-N 1 0 395.551 3.841 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359276310 1067945308 /nfs/dbraw/zinc/94/53/08/1067945308.db2.gz YJJJIRDPBQCZFR-XMSQKQJNSA-N 1 0 385.556 3.925 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@@H]1c1ccc(F)cc1 ZINC001469412451 1068150421 /nfs/dbraw/zinc/15/04/21/1068150421.db2.gz QGCSRAVDTOIGNV-SFTDATJTSA-N 1 0 392.478 3.821 20 30 GHEDRO Cc1ccc(CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC001469429808 1068160307 /nfs/dbraw/zinc/16/03/07/1068160307.db2.gz ADLBCOOEQNFCGB-KNQAVFIVSA-N 1 0 390.531 3.967 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359827327 1068210194 /nfs/dbraw/zinc/21/01/94/1068210194.db2.gz XPNKIGFAGXYPJB-SIKLNZKXSA-N 1 0 386.588 3.727 20 30 GHEDRO CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359934205 1068267349 /nfs/dbraw/zinc/26/73/49/1068267349.db2.gz ZSATYQGBPDNJIW-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001469756186 1068362154 /nfs/dbraw/zinc/36/21/54/1068362154.db2.gz ICIVJOAPXFHZAM-ZWKOTPCHSA-N 1 0 376.504 3.927 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001360468252 1068518179 /nfs/dbraw/zinc/51/81/79/1068518179.db2.gz ZVGYDDZWCOUHJO-CRAIPNDOSA-N 1 0 386.519 3.756 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001478230726 1078775666 /nfs/dbraw/zinc/77/56/66/1078775666.db2.gz LRADKLHYBJLDDR-LJQANCHMSA-N 1 0 384.568 3.763 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001460130732 1068800050 /nfs/dbraw/zinc/80/00/50/1068800050.db2.gz JOAMFNWMGZFRTR-FGZHOGPDSA-N 1 0 384.545 3.796 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)o1 ZINC001460189428 1068847346 /nfs/dbraw/zinc/84/73/46/1068847346.db2.gz YIGQIQOUMATFOC-KSSFIOAISA-N 1 0 375.266 3.859 20 30 GHEDRO C[N@H+](CCCOc1ccc(C#N)cc1)C[C@H](O)c1cccc(Br)c1 ZINC001460239108 1068878675 /nfs/dbraw/zinc/87/86/75/1068878675.db2.gz RSWILVGPADXXGB-IBGZPJMESA-N 1 0 389.293 3.755 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001460268001 1068896907 /nfs/dbraw/zinc/89/69/07/1068896907.db2.gz XNWZQTBRMQPYKQ-MOPGFXCFSA-N 1 0 379.508 3.829 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CC[NH+](CCC4(C#N)CCCCC4)CC3)n[nH]2)cc1 ZINC001460362311 1068942517 /nfs/dbraw/zinc/94/25/17/1068942517.db2.gz MXXMZBMGJFYPDR-UHFFFAOYSA-N 1 0 388.519 3.935 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001460519286 1068985937 /nfs/dbraw/zinc/98/59/37/1068985937.db2.gz XGOQRSUHEJBTIY-VQIMIIECSA-N 1 0 384.524 3.636 20 30 GHEDRO C#CC[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC001460757673 1069160107 /nfs/dbraw/zinc/16/01/07/1069160107.db2.gz JKUXUWJIBLLYNL-MAUKXSAKSA-N 1 0 375.310 3.598 20 30 GHEDRO C#Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c1 ZINC001470511703 1072600807 /nfs/dbraw/zinc/60/08/07/1072600807.db2.gz RAFFUVMIHGINEJ-UFYCRDLUSA-N 1 0 375.516 3.861 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCC)c1ccc(Br)cc1 ZINC001478750600 1078975075 /nfs/dbraw/zinc/97/50/75/1078975075.db2.gz HAYOYNUOEJZERB-YOEHRIQHSA-N 1 0 380.330 3.543 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCC)c1ccc(Br)cc1 ZINC001478750599 1078975129 /nfs/dbraw/zinc/97/51/29/1078975129.db2.gz HAYOYNUOEJZERB-WMLDXEAASA-N 1 0 380.330 3.543 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1)c1ccc(Cl)cc1F ZINC001478900268 1079020789 /nfs/dbraw/zinc/02/07/89/1079020789.db2.gz LCFZFZNLYMYSHU-LJQANCHMSA-N 1 0 391.874 3.828 20 30 GHEDRO Cc1cc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C#N)cc1[N+](=O)[O-] ZINC001472655326 1073598668 /nfs/dbraw/zinc/59/86/68/1073598668.db2.gz IJJZSDMYUJFBDM-IRXDYDNUSA-N 1 0 394.475 3.996 20 30 GHEDRO C#Cc1ccc(NC(=O)CCN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001473175148 1073831520 /nfs/dbraw/zinc/83/15/20/1073831520.db2.gz GRKBEJPOIFYEOI-HXUWFJFHSA-N 1 0 375.516 3.593 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1C#N ZINC001479276114 1079170927 /nfs/dbraw/zinc/17/09/27/1079170927.db2.gz NEWCZRIPLWDYHV-FCHUYYIVSA-N 1 0 385.471 3.791 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C2(CCCCC2)C1 ZINC001473241846 1073884032 /nfs/dbraw/zinc/88/40/32/1073884032.db2.gz XFRFERVBGIPLOE-GOSISDBHSA-N 1 0 391.556 3.687 20 30 GHEDRO COCC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001473270370 1073900262 /nfs/dbraw/zinc/90/02/62/1073900262.db2.gz VVRUVUNBVIKPEC-QFIPXVFZSA-N 1 0 377.488 3.987 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001473374420 1073939414 /nfs/dbraw/zinc/93/94/14/1073939414.db2.gz DAVUWNPOLITQAD-UHFFFAOYSA-N 1 0 390.959 3.984 20 30 GHEDRO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001473380359 1073942128 /nfs/dbraw/zinc/94/21/28/1073942128.db2.gz HCDPAJADNZPVIC-DEOSSOPVSA-N 1 0 392.499 3.968 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1(CC)CC ZINC001473409633 1073953370 /nfs/dbraw/zinc/95/33/70/1073953370.db2.gz OGMUENCVLIIYNQ-TUKJNDCMSA-N 1 0 377.573 3.879 20 30 GHEDRO C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1Cc1ccccc1 ZINC001473455391 1073971972 /nfs/dbraw/zinc/97/19/72/1073971972.db2.gz YOBDEETXPDEKFA-IBGZPJMESA-N 1 0 384.321 3.679 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CCCOC1 ZINC001473747627 1074121163 /nfs/dbraw/zinc/12/11/63/1074121163.db2.gz RWFVVMYJVOMQCW-VKJFTORMSA-N 1 0 389.565 3.868 20 30 GHEDRO CC(C)(C)OCCC[NH+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001473754437 1074124549 /nfs/dbraw/zinc/12/45/49/1074124549.db2.gz MLJRNOOMYGSRHB-UHFFFAOYSA-N 1 0 383.458 3.900 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)CCOCC1 ZINC001473810261 1074155404 /nfs/dbraw/zinc/15/54/04/1074155404.db2.gz WTHRCONNEIHREP-UHFFFAOYSA-N 1 0 397.544 3.836 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@]2(C)CCOc3ccccc32)c1C ZINC001473824146 1074160985 /nfs/dbraw/zinc/16/09/85/1074160985.db2.gz ZSRQRHHVBFXIAI-HSZRJFAPSA-N 1 0 377.488 3.838 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001474133845 1074272706 /nfs/dbraw/zinc/27/27/06/1074272706.db2.gz BOBRGCFHTMUENZ-UHFFFAOYSA-N 1 0 384.524 3.671 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC001479620757 1079240404 /nfs/dbraw/zinc/24/04/04/1079240404.db2.gz NMKIIEBYIYDINZ-NRFANRHFSA-N 1 0 381.907 3.714 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2COc3cccc(Br)c3C2)C1 ZINC001474680721 1074511053 /nfs/dbraw/zinc/51/10/53/1074511053.db2.gz QMCQQGSJARVPFW-LSWWBPAMSA-N 1 0 383.289 3.966 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1OC1CC1 ZINC001474717441 1074531894 /nfs/dbraw/zinc/53/18/94/1074531894.db2.gz MOQOFLJTCQTPSC-GOSISDBHSA-N 1 0 378.476 3.580 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493804124 1079298017 /nfs/dbraw/zinc/29/80/17/1079298017.db2.gz CTFVKGDEKJOIRS-IRXDYDNUSA-N 1 0 384.503 3.554 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c(Cl)c1 ZINC001474937843 1074641039 /nfs/dbraw/zinc/64/10/39/1074641039.db2.gz SIPLJYOMZQAUCJ-KRWDZBQOSA-N 1 0 395.956 3.535 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N(CCC#N)CC1CC1 ZINC001493843646 1079302454 /nfs/dbraw/zinc/30/24/54/1079302454.db2.gz DCUXYQLJSBLIEN-GOSISDBHSA-N 1 0 378.524 3.559 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001476224580 1075106189 /nfs/dbraw/zinc/10/61/89/1075106189.db2.gz JHNCAFRKNBNCBG-UHFFFAOYSA-N 1 0 395.478 3.623 20 30 GHEDRO CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001497892841 1079524725 /nfs/dbraw/zinc/52/47/25/1079524725.db2.gz OJIRLDGSWYWHGV-OAQYLSRUSA-N 1 0 392.551 3.588 20 30 GHEDRO CCC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCC1 ZINC001500008093 1079565991 /nfs/dbraw/zinc/56/59/91/1079565991.db2.gz PEKGCAXNAUSKMM-GOSISDBHSA-N 1 0 380.540 3.785 20 30 GHEDRO CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001500831094 1079617011 /nfs/dbraw/zinc/61/70/11/1079617011.db2.gz FQMUSBUVHKGCKI-KRWDZBQOSA-N 1 0 380.540 3.926 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001501977732 1079629054 /nfs/dbraw/zinc/62/90/54/1079629054.db2.gz DQJCKZHDUISULV-XMSQKQJNSA-N 1 0 380.540 3.805 20 30 GHEDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001620624651 1126241786 /nfs/dbraw/zinc/24/17/86/1126241786.db2.gz BEAVHOIKMDLPME-LJQANCHMSA-N 1 0 380.822 3.896 20 30 GHEDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(F)cc1C#N ZINC001648467047 1126250793 /nfs/dbraw/zinc/25/07/93/1126250793.db2.gz UWDFVLMWPVRTLN-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828257567 601300538 /nfs/dbraw/zinc/30/05/38/601300538.db2.gz GARMWDUWCUECEY-JTSKRJEESA-N 1 0 377.488 3.848 20 30 GHEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821215267 606887166 /nfs/dbraw/zinc/88/71/66/606887166.db2.gz PIXZACUVIRWTCK-INIZCTEOSA-N 1 0 376.464 3.590 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826386239 608505732 /nfs/dbraw/zinc/50/57/32/608505732.db2.gz VRSJTLCMQFSIHB-HXUWFJFHSA-N 1 0 390.516 3.639 20 30 GHEDRO C=CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909729 608631141 /nfs/dbraw/zinc/63/11/41/608631141.db2.gz OTZNSNUAHAQPJX-UHFFFAOYSA-N 1 0 399.458 3.637 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914678 608632590 /nfs/dbraw/zinc/63/25/90/608632590.db2.gz LPWGQQMAZCGQKA-UHFFFAOYSA-N 1 0 377.477 3.507 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164387404 718814687 /nfs/dbraw/zinc/81/46/87/718814687.db2.gz GLTNYRQZSCTADI-CYBMUJFWSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)cnc1Cl ZINC001164387535 718814795 /nfs/dbraw/zinc/81/47/95/718814795.db2.gz HRRWHFCZYLWNBM-CYBMUJFWSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413792 718879943 /nfs/dbraw/zinc/87/99/43/718879943.db2.gz NGOLCMUNXOFHJX-GFCCVEGCSA-N 1 0 394.775 3.805 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725912 720408021 /nfs/dbraw/zinc/40/80/21/720408021.db2.gz OEGLNBSEIZOYQO-LEWJYISDSA-N 1 0 376.580 3.559 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(Cl)cc1C#N)CC2 ZINC001164840883 720705968 /nfs/dbraw/zinc/70/59/68/720705968.db2.gz RIVCTOIVUJTXHW-HXUWFJFHSA-N 1 0 396.922 3.867 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(Cl)c(C#N)n3)C[C@@H]21 ZINC001165026625 721802659 /nfs/dbraw/zinc/80/26/59/721802659.db2.gz RQBIJAQNWBXMAT-OXFYSEKESA-N 1 0 381.911 3.739 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)c2)c1 ZINC000180801929 837563416 /nfs/dbraw/zinc/56/34/16/837563416.db2.gz MPMPTPIYGQUNEG-JOCHJYFZSA-N 1 0 387.487 3.641 20 30 GHEDRO CC(C)C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(C(F)(F)F)c1 ZINC000180867079 837611473 /nfs/dbraw/zinc/61/14/73/837611473.db2.gz DTGMAITVEMPJOB-OZNQOIHVSA-N 1 0 395.425 3.909 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000579939597 837683952 /nfs/dbraw/zinc/68/39/52/837683952.db2.gz FWDCBKUENYHGSN-NRFANRHFSA-N 1 0 379.504 3.573 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OCC ZINC000176708660 837718446 /nfs/dbraw/zinc/71/84/46/837718446.db2.gz OYNOEZYFAHOODR-YOEHRIQHSA-N 1 0 399.516 3.873 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCCC3(C#N)CCOCC3)C[C@@H]21 ZINC000375611187 837721331 /nfs/dbraw/zinc/72/13/31/837721331.db2.gz ILICYSFKTXEYOZ-GBESFXJTSA-N 1 0 391.556 3.712 20 30 GHEDRO COC(=O)c1cc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)oc1C ZINC000293042723 837745262 /nfs/dbraw/zinc/74/52/62/837745262.db2.gz XKHLMCNFULAIGW-AWEZNQCLSA-N 1 0 395.459 3.658 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CC1 ZINC000116503804 834343980 /nfs/dbraw/zinc/34/39/80/834343980.db2.gz PAPREZFENYKQBL-HHHXNRCGSA-N 1 0 391.581 3.896 20 30 GHEDRO N#CCCC1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579715683 834425201 /nfs/dbraw/zinc/42/52/01/834425201.db2.gz GAUJRFPHYJCKCG-FQEVSTJZSA-N 1 0 393.453 3.983 20 30 GHEDRO CC(C)Cc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000136524315 834539216 /nfs/dbraw/zinc/53/92/16/834539216.db2.gz FYRXZSJYUDZPHN-IBGZPJMESA-O 1 0 397.564 3.738 20 30 GHEDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000577575989 834543088 /nfs/dbraw/zinc/54/30/88/834543088.db2.gz AMQMDTPMDGEUMV-CEXWTWQISA-N 1 0 381.499 3.716 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000246852924 834590453 /nfs/dbraw/zinc/59/04/53/834590453.db2.gz CQOLILUNLSYXLR-PMACEKPBSA-N 1 0 397.592 3.949 20 30 GHEDRO CC(C)[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)[NH+]1CCC(C)CC1 ZINC000278769794 834598038 /nfs/dbraw/zinc/59/80/38/834598038.db2.gz YCOFPJUQJPGNDN-QFIPXVFZSA-N 1 0 394.567 3.705 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)c(-c2ccccc2)n1 ZINC000128320198 834650896 /nfs/dbraw/zinc/65/08/96/834650896.db2.gz GZFZKGVCZRTAFN-FQEVSTJZSA-N 1 0 380.492 3.629 20 30 GHEDRO C=CCSCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245674440 834691704 /nfs/dbraw/zinc/69/17/04/834691704.db2.gz IREFUBZSBWGLOS-RHSMWYFYSA-N 1 0 385.936 3.690 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128230999 834727614 /nfs/dbraw/zinc/72/76/14/834727614.db2.gz SQNJLOLOPFYFPN-CQSZACIVSA-N 1 0 375.881 3.755 20 30 GHEDRO O=C(Nc1nnc(-c2ccsc2)s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052496853 834836894 /nfs/dbraw/zinc/83/68/94/834836894.db2.gz FUWUXKMCFIPPST-UHFFFAOYSA-N 1 0 377.539 3.762 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000246272290 834851287 /nfs/dbraw/zinc/85/12/87/834851287.db2.gz HFHZSSMRSBONTF-FCHUYYIVSA-N 1 0 384.568 3.505 20 30 GHEDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)c1 ZINC000164583959 834865725 /nfs/dbraw/zinc/86/57/25/834865725.db2.gz RDLAUCHERKCQFQ-UHFFFAOYSA-N 1 0 379.460 3.569 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000129441720 834870280 /nfs/dbraw/zinc/87/02/80/834870280.db2.gz YQGUURVALZELRS-UHFFFAOYSA-N 1 0 391.441 3.534 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000583701131 834895437 /nfs/dbraw/zinc/89/54/37/834895437.db2.gz DIBLKUUKQGQXMS-TZIWHRDSSA-N 1 0 376.504 3.823 20 30 GHEDRO COc1cccc(NC(=S)NN=C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063359806 834906425 /nfs/dbraw/zinc/90/64/25/834906425.db2.gz ACNBMLWUJKMDGP-UHFFFAOYSA-N 1 0 393.516 3.505 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(SC(=O)N(C)C)c1 ZINC000176896335 835020551 /nfs/dbraw/zinc/02/05/51/835020551.db2.gz ZGYKQWHVFSBQOA-UHFFFAOYSA-N 1 0 383.517 3.981 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000043110136 835045694 /nfs/dbraw/zinc/04/56/94/835045694.db2.gz JTFZDGQPUZAHRR-QFIPXVFZSA-N 1 0 392.503 3.545 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H](C)c2ccccn2)c1C#N ZINC000611935358 835078569 /nfs/dbraw/zinc/07/85/69/835078569.db2.gz OFJIYOBZNPLIDR-INIZCTEOSA-N 1 0 391.475 3.692 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000685548532 835153683 /nfs/dbraw/zinc/15/36/83/835153683.db2.gz KQMHHOGZUVZCOY-SFHVURJKSA-N 1 0 393.560 3.827 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000329523138 835176510 /nfs/dbraw/zinc/17/65/10/835176510.db2.gz RLTJJASJNZOREE-ZWKOTPCHSA-N 1 0 399.539 3.553 20 30 GHEDRO Cn1cc(-c2cccc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)c2)cn1 ZINC000433325559 844026596 /nfs/dbraw/zinc/02/65/96/844026596.db2.gz HCKZAMYTKQMBFX-UHFFFAOYSA-N 1 0 397.486 3.549 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000433342294 844028638 /nfs/dbraw/zinc/02/86/38/844028638.db2.gz IXUBISFWFUCRLW-VQTJNVASSA-N 1 0 381.545 3.849 20 30 GHEDRO C=C[C@H](CC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000536169046 835284609 /nfs/dbraw/zinc/28/46/09/835284609.db2.gz IRANAPPUEAWPJU-HSZRJFAPSA-N 1 0 391.559 3.800 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000429939461 844046748 /nfs/dbraw/zinc/04/67/48/844046748.db2.gz GIFNAPGHYKKYLG-SFHVURJKSA-N 1 0 377.513 3.984 20 30 GHEDRO C=CCN1C(=O)N([C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431621142 835312982 /nfs/dbraw/zinc/31/29/82/835312982.db2.gz BWUIHNXYTZYPSO-SYYKKAFVSA-N 1 0 395.547 3.701 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000658139374 835466535 /nfs/dbraw/zinc/46/65/35/835466535.db2.gz QCVUARQVMKHHQV-FPOVZHCZSA-N 1 0 383.536 3.515 20 30 GHEDRO Cc1ccccc1C(=O)NC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000052747749 835467416 /nfs/dbraw/zinc/46/74/16/835467416.db2.gz MWIFDPYTIOUPFZ-UHFFFAOYSA-N 1 0 377.488 3.530 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000584052879 835522983 /nfs/dbraw/zinc/52/29/83/835522983.db2.gz KZTRNKPIZQYQMK-UHFFFAOYSA-N 1 0 394.548 3.608 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000548864872 835545436 /nfs/dbraw/zinc/54/54/36/835545436.db2.gz AGAXNGXTUORKRD-NRFANRHFSA-N 1 0 387.483 3.532 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC([C@@H]3CCOC3)CC2)sc2c1CCCC2 ZINC000612131590 835581415 /nfs/dbraw/zinc/58/14/15/835581415.db2.gz SOPHXCICKPLXRN-MRXNPFEDSA-N 1 0 387.549 3.576 20 30 GHEDRO O=C(c1ccc(Cl)s1)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134162812 835696275 /nfs/dbraw/zinc/69/62/75/835696275.db2.gz YOLRAXOLLOHAKY-CYBMUJFWSA-O 1 0 395.957 3.787 20 30 GHEDRO CS(=O)(=O)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCCC1 ZINC000512991156 844078763 /nfs/dbraw/zinc/07/87/63/844078763.db2.gz CLZNACSXRCQTBL-UHFFFAOYSA-N 1 0 398.528 3.584 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1cc(Br)cs1 ZINC000052847939 835711468 /nfs/dbraw/zinc/71/14/68/835711468.db2.gz WBJAKJBKHNVICE-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000177064297 835732226 /nfs/dbraw/zinc/73/22/26/835732226.db2.gz RGFQFGZDMOCGIT-HKUYNNGSSA-N 1 0 387.524 3.952 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C[NH+]1CCCCC1 ZINC000102751831 835872909 /nfs/dbraw/zinc/87/29/09/835872909.db2.gz IJDALMKERBWDLH-KRWDZBQOSA-N 1 0 381.476 3.582 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)CC1 ZINC000375794233 835898235 /nfs/dbraw/zinc/89/82/35/835898235.db2.gz KPIVNJREYLPQIT-FQEVSTJZSA-N 1 0 385.556 3.715 20 30 GHEDRO CCO[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278784781 835922118 /nfs/dbraw/zinc/92/21/18/835922118.db2.gz ZNLSWZIUXCLYMJ-NRFANRHFSA-N 1 0 375.476 3.726 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000102783247 835945386 /nfs/dbraw/zinc/94/53/86/835945386.db2.gz OXEKWIPPSVBEHH-KRWDZBQOSA-N 1 0 381.476 3.725 20 30 GHEDRO COCCC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCCCC1 ZINC000278752688 835966291 /nfs/dbraw/zinc/96/62/91/835966291.db2.gz WLPHZVOIWUGAOY-UHFFFAOYSA-N 1 0 381.524 3.935 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000429959369 844126038 /nfs/dbraw/zinc/12/60/38/844126038.db2.gz DKKJOLFXMBKNCO-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290189644 836240805 /nfs/dbraw/zinc/24/08/05/836240805.db2.gz RUUKSBCLYRPLPC-JOCHJYFZSA-N 1 0 378.472 3.629 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582210882 836249790 /nfs/dbraw/zinc/24/97/90/836249790.db2.gz MXDHKEFESBTDID-PKOBYXMFSA-N 1 0 378.451 3.683 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000065931238 836254814 /nfs/dbraw/zinc/25/48/14/836254814.db2.gz LEWYRQGVPCHALV-UHFFFAOYSA-N 1 0 389.421 3.710 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000613383739 836263673 /nfs/dbraw/zinc/26/36/73/836263673.db2.gz GXHJITCPWWETMS-FCHUYYIVSA-N 1 0 381.516 3.871 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000065950925 836319708 /nfs/dbraw/zinc/31/97/08/836319708.db2.gz SJWWKIWRYSKWPP-NRFANRHFSA-N 1 0 399.498 3.780 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000187664903 844157593 /nfs/dbraw/zinc/15/75/93/844157593.db2.gz WPYHOYQIACIFJY-IFMALSPDSA-N 1 0 389.547 3.548 20 30 GHEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1n1ccnc1 ZINC000247548831 844181100 /nfs/dbraw/zinc/18/11/00/844181100.db2.gz KIUZEQVUUUMGEF-MAUKXSAKSA-N 1 0 397.548 3.607 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)CN2CCCCC2)cc1OC ZINC000520953392 844181172 /nfs/dbraw/zinc/18/11/72/844181172.db2.gz DKDGIPLNEXELJV-OAHLLOKOSA-N 1 0 397.357 3.987 20 30 GHEDRO C=CCC[C@@H](C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000275295622 836609549 /nfs/dbraw/zinc/60/95/49/836609549.db2.gz HFKUFYDULAMOPP-HSZRJFAPSA-N 1 0 383.580 3.753 20 30 GHEDRO Cn1cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180194652 836636720 /nfs/dbraw/zinc/63/67/20/836636720.db2.gz FPOGABDQCGRONQ-DEOSSOPVSA-N 1 0 384.483 3.633 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180026493 836767486 /nfs/dbraw/zinc/76/74/86/836767486.db2.gz HUIDUQDENGBJPM-UHFFFAOYSA-N 1 0 385.515 3.713 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccc(Cl)c1 ZINC000043478834 836893351 /nfs/dbraw/zinc/89/33/51/836893351.db2.gz MAPFIIFKAQYOKG-UHFFFAOYSA-N 1 0 384.911 3.528 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180282351 836939112 /nfs/dbraw/zinc/93/91/12/836939112.db2.gz NWKBHMRUJKNNSO-HXUWFJFHSA-N 1 0 391.906 3.981 20 30 GHEDRO CCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H](C)c1ccccc1OC ZINC001167218583 836940776 /nfs/dbraw/zinc/94/07/76/836940776.db2.gz QZUJPPUDUOKLMM-SFHVURJKSA-N 1 0 390.483 3.768 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000376117157 836942200 /nfs/dbraw/zinc/94/22/00/836942200.db2.gz QZPFWBXXONOFEL-HNNXBMFYSA-N 1 0 385.895 3.636 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c(C(F)(F)F)c1 ZINC000582874476 837009368 /nfs/dbraw/zinc/00/93/68/837009368.db2.gz KSGXUZJRWHMFCM-QGZVFWFLSA-N 1 0 395.450 3.802 20 30 GHEDRO Cc1cc(Cl)ccc1-c1noc([C@@H](c2cccc(C#N)c2)N2CC[NH2+]CC2)n1 ZINC001211640810 837038633 /nfs/dbraw/zinc/03/86/33/837038633.db2.gz PSJAIKBASVSCFX-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000249454102 837055493 /nfs/dbraw/zinc/05/54/93/837055493.db2.gz PBEUKOOCBBXOSG-JXFKEZNVSA-N 1 0 383.517 3.965 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cc(C#N)ccc1F ZINC000180395677 837222287 /nfs/dbraw/zinc/22/22/87/837222287.db2.gz BUSGPQSTFOWNNE-UHFFFAOYSA-N 1 0 378.245 3.802 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3ccccc3)ccc2Cl)CC1 ZINC000472596763 837377758 /nfs/dbraw/zinc/37/77/58/837377758.db2.gz BOMIWEXFIQWNGD-UHFFFAOYSA-N 1 0 397.906 3.712 20 30 GHEDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H](C)O1 ZINC000181206268 837854010 /nfs/dbraw/zinc/85/40/10/837854010.db2.gz IZNRXCFALANAAO-QZTJIDSGSA-N 1 0 393.487 3.580 20 30 GHEDRO COc1cc(NC2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000177371819 837933413 /nfs/dbraw/zinc/93/34/13/837933413.db2.gz CYIBZXYEDQORIF-UHFFFAOYSA-N 1 0 381.476 3.531 20 30 GHEDRO N#CCCCCCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000588154030 838055285 /nfs/dbraw/zinc/05/52/85/838055285.db2.gz MIQYDQIDJOVQMM-UHFFFAOYSA-N 1 0 391.519 3.816 20 30 GHEDRO NC(=[NH+]OCCCc1ccc(Cl)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000121054273 838138934 /nfs/dbraw/zinc/13/89/34/838138934.db2.gz QPCVFEQONLHVSY-UHFFFAOYSA-N 1 0 387.911 3.571 20 30 GHEDRO CCn1ncc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000893115893 838148020 /nfs/dbraw/zinc/14/80/20/838148020.db2.gz SSMFQWIZVDMBCN-UHFFFAOYSA-N 1 0 392.503 3.743 20 30 GHEDRO Cc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000025252022 844301368 /nfs/dbraw/zinc/30/13/68/844301368.db2.gz ULNFIMFRIXOEFK-CALCHBBNSA-N 1 0 377.492 3.579 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(C#N)c1C ZINC000181385595 838203633 /nfs/dbraw/zinc/20/36/33/838203633.db2.gz LEYYDORVRPBYRL-HUUCEWRRSA-N 1 0 394.475 3.573 20 30 GHEDRO C[C@H](CCNC(=O)CSCc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000471456885 838221172 /nfs/dbraw/zinc/22/11/72/838221172.db2.gz BHBNNRISAYAQJK-GOSISDBHSA-N 1 0 381.545 3.818 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610320267 838405475 /nfs/dbraw/zinc/40/54/75/838405475.db2.gz UZVHKGDJAIFDLF-QGZVFWFLSA-N 1 0 379.464 3.551 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000178579896 838410328 /nfs/dbraw/zinc/41/03/28/838410328.db2.gz RIZKTQDTOIUWGL-GOSISDBHSA-N 1 0 392.503 3.888 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000189985119 838507772 /nfs/dbraw/zinc/50/77/72/838507772.db2.gz VFPREHAOPYMBCJ-UHFFFAOYSA-N 1 0 386.540 3.656 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659579839 838515318 /nfs/dbraw/zinc/51/53/18/838515318.db2.gz VYVZVHAITBZGMO-FGZHOGPDSA-N 1 0 395.551 3.697 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000610336871 838543792 /nfs/dbraw/zinc/54/37/92/838543792.db2.gz TYMYSLKXGDRLJD-NRFANRHFSA-N 1 0 386.536 3.554 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000610341118 838562900 /nfs/dbraw/zinc/56/29/00/838562900.db2.gz BAQOOUFHNPUGGH-QZTJIDSGSA-N 1 0 395.503 3.998 20 30 GHEDRO CCN1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549115582 838627167 /nfs/dbraw/zinc/62/71/67/838627167.db2.gz FPGRTLBQRJDZGV-FPOVZHCZSA-N 1 0 389.421 3.779 20 30 GHEDRO C#CCC(CC#C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000376705902 838640856 /nfs/dbraw/zinc/64/08/56/838640856.db2.gz GYIURTOQVIAJJV-UYAOXDASSA-N 1 0 390.449 3.867 20 30 GHEDRO N#Cc1csc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)n1 ZINC000414594066 838653295 /nfs/dbraw/zinc/65/32/95/838653295.db2.gz WPZFCIUHVUZDAG-UHFFFAOYSA-N 1 0 391.338 3.531 20 30 GHEDRO C=CCn1c(C)cc(C(=O)CN(Cc2ccc(-n3cncn3)cc2)C2CC2)c1C ZINC000549403631 838656846 /nfs/dbraw/zinc/65/68/46/838656846.db2.gz FKJNTSROUFNVII-UHFFFAOYSA-N 1 0 389.503 3.719 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000215876295 838662411 /nfs/dbraw/zinc/66/24/11/838662411.db2.gz KVEXMWQIOMZGKY-RHSMWYFYSA-N 1 0 377.431 3.792 20 30 GHEDRO CCOc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000129078785 844360114 /nfs/dbraw/zinc/36/01/14/844360114.db2.gz YPFYREZZRQZEMV-UHFFFAOYSA-N 1 0 394.519 3.539 20 30 GHEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000128459670 838727337 /nfs/dbraw/zinc/72/73/37/838727337.db2.gz WKHDKTFPMHBVJU-QGZVFWFLSA-N 1 0 394.443 3.674 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000170910811 838742931 /nfs/dbraw/zinc/74/29/31/838742931.db2.gz CQZCFTFTEKNTDO-UHFFFAOYSA-N 1 0 380.423 3.626 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000893201109 838836897 /nfs/dbraw/zinc/83/68/97/838836897.db2.gz WNLLOGMHHQFRKD-YJBOKZPZSA-N 1 0 388.562 3.906 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000419369442 844372650 /nfs/dbraw/zinc/37/26/50/844372650.db2.gz HTPRZUURMXMNIF-OALUTQOASA-N 1 0 387.405 3.641 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1Cl)Cc1ccc(F)cc1C ZINC000576399718 844382705 /nfs/dbraw/zinc/38/27/05/844382705.db2.gz RTNSALNJQIBEIN-WMLDXEAASA-N 1 0 387.886 3.915 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000378424457 839090869 /nfs/dbraw/zinc/09/08/69/839090869.db2.gz DXPCPWDFKMGQPI-AWEZNQCLSA-N 1 0 394.910 3.813 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000415075340 839163485 /nfs/dbraw/zinc/16/34/85/839163485.db2.gz BLAFFDUYIHRPTO-OAHLLOKOSA-N 1 0 382.464 3.998 20 30 GHEDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000415075343 839163648 /nfs/dbraw/zinc/16/36/48/839163648.db2.gz BLIXKKXOBXSGED-KRWDZBQOSA-N 1 0 382.464 3.998 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000580273251 839166151 /nfs/dbraw/zinc/16/61/51/839166151.db2.gz UWRDGHGYUSLUBO-GOSISDBHSA-N 1 0 398.894 3.624 20 30 GHEDRO C[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000378480844 839192338 /nfs/dbraw/zinc/19/23/38/839192338.db2.gz HEIFKCSNNANHDO-GOSISDBHSA-N 1 0 379.479 3.994 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415115316 839225552 /nfs/dbraw/zinc/22/55/52/839225552.db2.gz DNFYFMLJTDYLJD-LPHOPBHVSA-N 1 0 378.476 3.708 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCN(C)CC2)cc1OCC ZINC000121189009 839244350 /nfs/dbraw/zinc/24/43/50/839244350.db2.gz NAHYOVIQVIGLNV-UHFFFAOYSA-N 1 0 383.330 3.596 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000580375557 839411230 /nfs/dbraw/zinc/41/12/30/839411230.db2.gz JPXRATLRDGPUTG-IBGZPJMESA-N 1 0 395.551 3.931 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[NH+]2CCCC2)o1 ZINC000416698347 839548040 /nfs/dbraw/zinc/54/80/40/839548040.db2.gz WDIZCZXVVQIBAU-NHCUHLMSSA-N 1 0 392.503 3.973 20 30 GHEDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC[C@@H]3CCC[N@H+](CC)C3)ccc2NC1=O ZINC000328732218 839565896 /nfs/dbraw/zinc/56/58/96/839565896.db2.gz XJLKYNGFICVTRV-MPGHIAIKSA-N 1 0 388.512 3.742 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549267018 839695853 /nfs/dbraw/zinc/69/58/53/839695853.db2.gz KCRCRZXKPIJAHP-UHFFFAOYSA-N 1 0 380.540 3.537 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2C2CC2)c1C#N ZINC000610447670 839836960 /nfs/dbraw/zinc/83/69/60/839836960.db2.gz NLUYNGLDTCVXJI-FQEVSTJZSA-N 1 0 380.492 3.821 20 30 GHEDRO C#CCN(CCC[NH+](CC)CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC001167420401 839842524 /nfs/dbraw/zinc/84/25/24/839842524.db2.gz DCMCWAFUWLQEFK-GOSISDBHSA-N 1 0 379.342 3.940 20 30 GHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549290518 839856585 /nfs/dbraw/zinc/85/65/85/839856585.db2.gz CWMNATSGISJUEA-UHFFFAOYSA-N 1 0 379.552 3.704 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000418397979 840126557 /nfs/dbraw/zinc/12/65/57/840126557.db2.gz CMEMNDMVFYDNCN-IRLDBZIGSA-N 1 0 394.494 3.927 20 30 GHEDRO N#Cc1cc2c(n(C[C@H]3CCCC3(F)F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000579854042 840152263 /nfs/dbraw/zinc/15/22/63/840152263.db2.gz LCKUUYVVSKRDNU-LJQANCHMSA-N 1 0 383.442 3.714 20 30 GHEDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000418441205 840231920 /nfs/dbraw/zinc/23/19/20/840231920.db2.gz LSJDFSBNBXOFIL-NRFANRHFSA-N 1 0 382.483 3.783 20 30 GHEDRO C[C@@](CO)([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000511588422 840267518 /nfs/dbraw/zinc/26/75/18/840267518.db2.gz OOPSDZXRQOFITB-SFHVURJKSA-N 1 0 378.697 3.951 20 30 GHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000177823258 840291228 /nfs/dbraw/zinc/29/12/28/840291228.db2.gz UGIWFBXYEWSGOH-GCJKJVERSA-N 1 0 380.561 3.687 20 30 GHEDRO Cc1nn(C)c(N2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c1C#N ZINC000513127018 844531086 /nfs/dbraw/zinc/53/10/86/844531086.db2.gz BHPIGXYHMFGFOR-UHFFFAOYSA-N 1 0 385.515 3.554 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508801998 844532324 /nfs/dbraw/zinc/53/23/24/844532324.db2.gz NYGLUQHZPWCUBZ-UHFFFAOYSA-N 1 0 392.551 3.951 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(COC)CCC2)cc1OC ZINC000500404222 840389301 /nfs/dbraw/zinc/38/93/01/840389301.db2.gz QLVZOIZSBARWMK-UHFFFAOYSA-N 1 0 384.314 3.929 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511675592 840500545 /nfs/dbraw/zinc/50/05/45/840500545.db2.gz PHPBUEMQKOQYGQ-OAHLLOKOSA-N 1 0 391.353 3.567 20 30 GHEDRO N#Cc1ccc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c([N+](=O)[O-])c1 ZINC000511696496 840511410 /nfs/dbraw/zinc/51/14/10/840511410.db2.gz WTZPSQQSCKDAHT-UHFFFAOYSA-N 1 0 377.448 3.742 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000580965000 840534557 /nfs/dbraw/zinc/53/45/57/840534557.db2.gz QYKNSASAYUZVJR-WMLDXEAASA-N 1 0 390.471 3.584 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ncccc1OCCCC#N ZINC000581036132 840617404 /nfs/dbraw/zinc/61/74/04/840617404.db2.gz VCGISCMGBPAWTR-UHFFFAOYSA-N 1 0 387.528 3.884 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000510985998 844562827 /nfs/dbraw/zinc/56/28/27/844562827.db2.gz MGLWRMDVBLXVEZ-QHCPKHFHSA-N 1 0 386.580 3.743 20 30 GHEDRO CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(C)C ZINC000543870477 840680855 /nfs/dbraw/zinc/68/08/55/840680855.db2.gz ADWIGQILVHRASQ-WAIKUNEKSA-N 1 0 377.488 3.606 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000160772181 840739731 /nfs/dbraw/zinc/73/97/31/840739731.db2.gz AGIPMNPJPSGPSZ-QGZVFWFLSA-N 1 0 376.501 3.504 20 30 GHEDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417371286 840786778 /nfs/dbraw/zinc/78/67/78/840786778.db2.gz UHZMCAYPUWVXEX-FOIQADDNSA-N 1 0 383.517 3.551 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000581239757 840924623 /nfs/dbraw/zinc/92/46/23/840924623.db2.gz LDPAXGLKJSCSJU-ROUUACIJSA-N 1 0 391.393 3.959 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)CC1 ZINC000660597936 840981005 /nfs/dbraw/zinc/98/10/05/840981005.db2.gz SZOSPAHEKHVUEV-UZLBHIALSA-N 1 0 391.943 3.852 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000043993482 844602839 /nfs/dbraw/zinc/60/28/39/844602839.db2.gz ZOVNABRXMYHRGD-UHFFFAOYSA-N 1 0 380.492 3.943 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000561334958 841119768 /nfs/dbraw/zinc/11/97/68/841119768.db2.gz XDGLULWLBLEYHM-UHFFFAOYSA-N 1 0 398.551 3.513 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000549920394 844610844 /nfs/dbraw/zinc/61/08/44/844610844.db2.gz UDMKJELKPCLPAU-VXSCBNMQSA-N 1 0 395.547 3.876 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccccc2)c1 ZINC000027199861 841345252 /nfs/dbraw/zinc/34/52/52/841345252.db2.gz RWHMMMGDEWJTIG-UHFFFAOYSA-O 1 0 377.489 3.711 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccccc1CC ZINC000027311350 841370860 /nfs/dbraw/zinc/37/08/60/841370860.db2.gz GUKVMBMGTNVHML-UHFFFAOYSA-O 1 0 399.536 3.658 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000661115735 841409685 /nfs/dbraw/zinc/40/96/85/841409685.db2.gz DRSJESHLGPVOKP-DOTOQJQBSA-N 1 0 388.512 3.832 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000661119740 841415815 /nfs/dbraw/zinc/41/58/15/841415815.db2.gz XKTDCTHXWCCFGA-WIYYLYMNSA-N 1 0 383.536 3.588 20 30 GHEDRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1C(C)(C)C ZINC000044566580 841423252 /nfs/dbraw/zinc/42/32/52/841423252.db2.gz IVZFDXYGQWUQDM-UHFFFAOYSA-N 1 0 395.551 3.837 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCCc1ccccc1 ZINC000603803240 861202087 /nfs/dbraw/zinc/20/20/87/861202087.db2.gz UYSQDJXKPMKWLE-UHFFFAOYSA-N 1 0 378.520 3.654 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCc3ccc(-c4ccccc4)cc3C2)CCOCC1 ZINC000599431092 861203298 /nfs/dbraw/zinc/20/32/98/861203298.db2.gz QJBURARLWXHVLF-HSZRJFAPSA-N 1 0 376.500 3.783 20 30 GHEDRO C=CCc1cc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)cc(OC)c1O ZINC000500129823 841494975 /nfs/dbraw/zinc/49/49/75/841494975.db2.gz HWNSEFYMQQUXRY-UHFFFAOYSA-N 1 0 389.879 3.886 20 30 GHEDRO C=CC[C@]1(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)CCC[NH2+]1 ZINC000662789720 841623761 /nfs/dbraw/zinc/62/37/61/841623761.db2.gz CRVZDAZZFKNPDW-OAQYLSRUSA-N 1 0 382.533 3.609 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000566642715 841851004 /nfs/dbraw/zinc/85/10/04/841851004.db2.gz LHHWOMKUSDYTEW-LIRRHRJNSA-N 1 0 391.924 3.757 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)CCOCC1 ZINC000599491908 861245597 /nfs/dbraw/zinc/24/55/97/861245597.db2.gz YSEJKIBAEAWERO-QGZVFWFLSA-N 1 0 382.426 3.746 20 30 GHEDRO C[C@@H]1Oc2ccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2NC1=O ZINC000329289238 861249695 /nfs/dbraw/zinc/24/96/95/861249695.db2.gz MXRZFFMQZXCWMV-WFASDCNBSA-N 1 0 375.494 3.861 20 30 GHEDRO CC(C)c1ccc(CCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000046904894 841909999 /nfs/dbraw/zinc/90/99/99/841909999.db2.gz JEQZYMIBLWPQTR-UHFFFAOYSA-N 1 0 375.516 3.959 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)C1CC1 ZINC000477241738 841929403 /nfs/dbraw/zinc/92/94/03/841929403.db2.gz WFLJJEIRFLICBB-JOCHJYFZSA-N 1 0 393.556 3.818 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnn1C1CCCCC1 ZINC000329300166 861264582 /nfs/dbraw/zinc/26/45/82/861264582.db2.gz MJSKRZCNFVMPJS-RTWAWAEBSA-N 1 0 388.556 3.769 20 30 GHEDRO COc1ccc(C(=O)C2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)cc1 ZINC000157394041 842014450 /nfs/dbraw/zinc/01/44/50/842014450.db2.gz MQINYNNLQZKSKJ-UHFFFAOYSA-N 1 0 394.471 3.549 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000127278662 842115496 /nfs/dbraw/zinc/11/54/96/842115496.db2.gz WZJZGVKUEJNCDT-NRFANRHFSA-N 1 0 395.503 3.746 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCOC[C@H]2C)cc1OCC ZINC000432354911 842156826 /nfs/dbraw/zinc/15/68/26/842156826.db2.gz AYLJZKOZEKMTJA-CJNGLKHVSA-N 1 0 384.314 3.927 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418578050 842228323 /nfs/dbraw/zinc/22/83/23/842228323.db2.gz IVGXGVBJWLXCAE-NHCUHLMSSA-N 1 0 380.467 3.679 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000329328350 861288007 /nfs/dbraw/zinc/28/80/07/861288007.db2.gz KLNDNCAEKWAKLN-MNAPGUCWSA-N 1 0 391.600 3.959 20 30 GHEDRO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329326747 861288106 /nfs/dbraw/zinc/28/81/06/861288106.db2.gz UGJRYMYCFXBICN-ZDUSSCGKSA-N 1 0 382.386 3.952 20 30 GHEDRO C=CCc1cc(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)cc(OC)c1O ZINC000512046610 842315375 /nfs/dbraw/zinc/31/53/75/842315375.db2.gz VHQBLEBVFMVHEB-UHFFFAOYSA-N 1 0 383.488 3.747 20 30 GHEDRO O=C(Nc1cccc(CSC2CCOCC2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329340670 861304004 /nfs/dbraw/zinc/30/40/04/861304004.db2.gz RSYVBZAXZMIKIW-PMACEKPBSA-N 1 0 389.565 3.861 20 30 GHEDRO C[C@H]1CCCC[C@H]1CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000512119624 842558448 /nfs/dbraw/zinc/55/84/48/842558448.db2.gz SPWXWCHJUVGGPJ-UGKGYDQZSA-N 1 0 382.552 3.992 20 30 GHEDRO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000328846103 842563941 /nfs/dbraw/zinc/56/39/41/842563941.db2.gz XPKURIJBDUPAPH-RTWAWAEBSA-N 1 0 398.551 3.534 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3ccccc3OC)C2)c(OC)c1 ZINC000606453598 842648103 /nfs/dbraw/zinc/64/81/03/842648103.db2.gz ISRJLHKMWZTBIA-VQTJNVASSA-N 1 0 397.515 3.662 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000182089778 842735398 /nfs/dbraw/zinc/73/53/98/842735398.db2.gz SHWMFNYAWDTQKC-OAQYLSRUSA-N 1 0 387.886 3.638 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471848462 842837426 /nfs/dbraw/zinc/83/74/26/842837426.db2.gz QIFODTKDZOYLKZ-SZPZYZBQSA-N 1 0 391.515 3.525 20 30 GHEDRO C=CCn1c(SCCN2CCOC[C@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000188246614 842847264 /nfs/dbraw/zinc/84/72/64/842847264.db2.gz VKBKWYUOJCQEHE-CQSZACIVSA-N 1 0 378.929 3.597 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000329390954 861365743 /nfs/dbraw/zinc/36/57/43/861365743.db2.gz RMRQPJYWSVGVSH-GOSISDBHSA-N 1 0 393.553 3.714 20 30 GHEDRO O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329391721 861368133 /nfs/dbraw/zinc/36/81/33/861368133.db2.gz VLVCFYGMQIXFFD-QAPCUYQASA-N 1 0 377.448 3.652 20 30 GHEDRO CCn1nccc1C1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000279337827 843009778 /nfs/dbraw/zinc/00/97/78/843009778.db2.gz DWKWKYLXLNAVHW-UHFFFAOYSA-N 1 0 382.508 3.974 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510589134 843009996 /nfs/dbraw/zinc/00/99/96/843009996.db2.gz DQEAMRVHZVTIKZ-QFIPXVFZSA-N 1 0 391.515 3.541 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cnc1N1CCCC[C@H]1C ZINC000329393420 861369657 /nfs/dbraw/zinc/36/96/57/861369657.db2.gz USRLPXIFAJIMKJ-UYAOXDASSA-N 1 0 385.556 3.875 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329398064 861373772 /nfs/dbraw/zinc/37/37/72/861373772.db2.gz VDUJHLHZPSIKMO-GFCCVEGCSA-N 1 0 375.416 3.612 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000279423883 843053771 /nfs/dbraw/zinc/05/37/71/843053771.db2.gz PLYUKLWCRQKFMA-IBGZPJMESA-N 1 0 387.487 3.760 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@H](CO)CC(C)C)c1C#N ZINC000481431386 861375457 /nfs/dbraw/zinc/37/54/57/861375457.db2.gz CUAIDNAPUXDSJB-IBGZPJMESA-N 1 0 388.556 3.759 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000329404440 861377305 /nfs/dbraw/zinc/37/73/05/861377305.db2.gz BMGJOBCSYQNOAR-ZJMJOCHXSA-N 1 0 397.494 3.510 20 30 GHEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCCO1 ZINC000432554629 843124434 /nfs/dbraw/zinc/12/44/34/843124434.db2.gz CXPJLSVNMKLLBU-GOSISDBHSA-N 1 0 392.503 3.533 20 30 GHEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000599599216 861385553 /nfs/dbraw/zinc/38/55/53/861385553.db2.gz YFWYLTFRALNMFS-ZWKOTPCHSA-N 1 0 380.448 3.621 20 30 GHEDRO C#Cc1ccc(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)cn1 ZINC000728862404 843238572 /nfs/dbraw/zinc/23/85/72/843238572.db2.gz KKORLSKLUWBACV-IBGZPJMESA-N 1 0 389.421 3.895 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(NC(N)=O)cc3)c2)c1 ZINC000125805520 843321142 /nfs/dbraw/zinc/32/11/42/843321142.db2.gz NAOIEMUNQGLVSG-UHFFFAOYSA-N 1 0 386.455 3.918 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000510733124 843372876 /nfs/dbraw/zinc/37/28/76/843372876.db2.gz RBHZKSVNBZYFBZ-UHFFFAOYSA-N 1 0 392.503 3.915 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(F)c(COC)c2)c1 ZINC000178569906 843377782 /nfs/dbraw/zinc/37/77/82/843377782.db2.gz CJIMOTIFCJTOFG-UHFFFAOYSA-N 1 0 375.444 3.696 20 30 GHEDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662553166 843410365 /nfs/dbraw/zinc/41/03/65/843410365.db2.gz HOZPGZBEPHZGIM-GFCCVEGCSA-N 1 0 386.311 3.848 20 30 GHEDRO C=CC[C@]1(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)CCC[NH2+]1 ZINC000662564565 843411252 /nfs/dbraw/zinc/41/12/52/843411252.db2.gz YSQTXCDVKNFRIE-JOCHJYFZSA-N 1 0 378.476 3.645 20 30 GHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000091842633 843430680 /nfs/dbraw/zinc/43/06/80/843430680.db2.gz SHXYJRSLZCFGLW-AWEZNQCLSA-N 1 0 393.329 3.825 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccn2)[n+]2ccc(C)cc2)s1 ZINC000171086731 861423590 /nfs/dbraw/zinc/42/35/90/861423590.db2.gz IBGTZCSDBAVTRN-UHFFFAOYSA-O 1 0 396.561 3.819 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccc(Cl)cc1 ZINC000599632955 861423995 /nfs/dbraw/zinc/42/39/95/861423995.db2.gz VMTHOFNUELOILA-MRXNPFEDSA-N 1 0 397.906 3.684 20 30 GHEDRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922311 843587359 /nfs/dbraw/zinc/58/73/59/843587359.db2.gz XZVGZZSVVQBLQB-JOCHJYFZSA-N 1 0 377.488 3.583 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCSc3ccccc3)CC2)cc1 ZINC000043862302 843656861 /nfs/dbraw/zinc/65/68/61/843656861.db2.gz LHWWARVXOGTONY-UHFFFAOYSA-N 1 0 394.544 3.568 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549667024 843661992 /nfs/dbraw/zinc/66/19/92/843661992.db2.gz JHRMKJHWXYQRFK-FQEVSTJZSA-N 1 0 396.583 3.952 20 30 GHEDRO N#CCCn1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)c(-c2ccccc2)n1 ZINC000092218711 843744150 /nfs/dbraw/zinc/74/41/50/843744150.db2.gz LKFHGJADZKKGAF-QFIPXVFZSA-N 1 0 377.536 3.914 20 30 GHEDRO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000512449308 843831233 /nfs/dbraw/zinc/83/12/33/843831233.db2.gz FHNQOOJPGGOKFK-QUCCMNQESA-N 1 0 396.535 3.508 20 30 GHEDRO Clc1ccccc1C#CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512450099 843832860 /nfs/dbraw/zinc/83/28/60/843832860.db2.gz OISISTSFGWAGHZ-QHCPKHFHSA-N 1 0 393.962 3.584 20 30 GHEDRO Clc1ccc(C#CCN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512462056 843879487 /nfs/dbraw/zinc/87/94/87/843879487.db2.gz HSHGLMHTABFCMP-DEOSSOPVSA-N 1 0 393.962 3.584 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cc1c(F)cccc1C#N ZINC000509829342 843902109 /nfs/dbraw/zinc/90/21/09/843902109.db2.gz VCPPVQUIBCIMBI-UHFFFAOYSA-N 1 0 383.492 3.736 20 30 GHEDRO Clc1cccc(C#CCN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512474118 843933562 /nfs/dbraw/zinc/93/35/62/843933562.db2.gz HVIQRUPIXMNWGW-DEOSSOPVSA-N 1 0 393.962 3.584 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000731112955 861473254 /nfs/dbraw/zinc/47/32/54/861473254.db2.gz GJMVHXWRLXBFGW-QFIPXVFZSA-N 1 0 393.487 3.666 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000731112138 861474389 /nfs/dbraw/zinc/47/43/89/861474389.db2.gz BPFSMLOYBNTRAY-UHFFFAOYSA-N 1 0 391.515 3.871 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CSc1ccc(C#N)cc1 ZINC000150900055 843950469 /nfs/dbraw/zinc/95/04/69/843950469.db2.gz HKNJABSPAGSFRK-ROUUACIJSA-N 1 0 393.556 3.923 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000412037285 843982646 /nfs/dbraw/zinc/98/26/46/843982646.db2.gz JMXYFVPYDYMXRV-HNNXBMFYSA-N 1 0 384.442 3.921 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1OC ZINC000623726171 861497417 /nfs/dbraw/zinc/49/74/17/861497417.db2.gz CUFXOBZYQCYPLM-GOSISDBHSA-N 1 0 386.879 3.830 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1cccs1 ZINC000610933289 844868710 /nfs/dbraw/zinc/86/87/10/844868710.db2.gz DPXLPEGDAQLRAJ-YLJYHZDGSA-N 1 0 379.529 3.851 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000610975635 844960021 /nfs/dbraw/zinc/96/00/21/844960021.db2.gz RBIDSJLPCYYCBU-UHFFFAOYSA-N 1 0 377.488 3.698 20 30 GHEDRO Cc1nc(C(C)(C)C)sc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000061369865 861520164 /nfs/dbraw/zinc/52/01/64/861520164.db2.gz TZABNJYDFHCXHR-UHFFFAOYSA-N 1 0 396.560 3.969 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512679844 845019291 /nfs/dbraw/zinc/01/92/91/845019291.db2.gz BRAPDYFGRUQMGX-GOSISDBHSA-N 1 0 387.405 3.890 20 30 GHEDRO C=C(CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000512681306 845020434 /nfs/dbraw/zinc/02/04/34/845020434.db2.gz MYNPSZLIKXQLLM-XZOQPEGZSA-N 1 0 398.595 3.678 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000329489590 861523387 /nfs/dbraw/zinc/52/33/87/861523387.db2.gz UWAYNVZFQMRQIR-AAEUAGOBSA-N 1 0 382.386 3.951 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(C)cc3)c2CCC)CC1 ZINC000433112629 845348866 /nfs/dbraw/zinc/34/88/66/845348866.db2.gz JNCSHJKTTGNCQT-UHFFFAOYSA-N 1 0 381.524 3.905 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000513410940 845364648 /nfs/dbraw/zinc/36/46/48/845364648.db2.gz ICAZKDCUFBXDRD-CQSZACIVSA-N 1 0 381.867 3.814 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000611559900 845374940 /nfs/dbraw/zinc/37/49/40/845374940.db2.gz JIAPMZTYDNNWCG-CTNGQTDRSA-N 1 0 387.462 3.938 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)CC1 ZINC000664015873 845391776 /nfs/dbraw/zinc/39/17/76/845391776.db2.gz LDGDZJDSGUNDMS-MRXNPFEDSA-N 1 0 391.943 3.893 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1 ZINC000261712815 845439768 /nfs/dbraw/zinc/43/97/68/845439768.db2.gz DULUXWAXWSNTJC-UHFFFAOYSA-N 1 0 399.438 3.653 20 30 GHEDRO N#Cc1cccc(-c2noc([C@@H](c3cc4ccccc4[nH]3)N3CCC[C@H]([NH3+])C3)n2)c1 ZINC001211806340 845567054 /nfs/dbraw/zinc/56/70/54/845567054.db2.gz TWZZFBPXESILRB-GHTZIAJQSA-N 1 0 398.470 3.602 20 30 GHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000555686278 861582597 /nfs/dbraw/zinc/58/25/97/861582597.db2.gz DXMNZXIPYBUEDM-FQEVSTJZSA-N 1 0 387.487 3.710 20 30 GHEDRO COc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512811459 845615903 /nfs/dbraw/zinc/61/59/03/845615903.db2.gz GPLWYNYENBCDID-UHFFFAOYSA-N 1 0 397.450 3.578 20 30 GHEDRO O=[N+]([O-])c1cc(C=[NH+]OCc2noc(-c3cccs3)n2)ccc1N1CCCC1 ZINC000731445656 861621930 /nfs/dbraw/zinc/62/19/30/861621930.db2.gz RANMZEHBVIFWSN-UHFFFAOYSA-N 1 0 399.432 3.857 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000375656939 845964470 /nfs/dbraw/zinc/96/44/70/845964470.db2.gz TWXDLRZCKFTDQK-VIZSFHNOSA-N 1 0 397.563 3.812 20 30 GHEDRO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001167536402 846099710 /nfs/dbraw/zinc/09/97/10/846099710.db2.gz YWJJCCPZUTUWFB-AQNXPRMDSA-N 1 0 377.573 3.834 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511061779 846170883 /nfs/dbraw/zinc/17/08/83/846170883.db2.gz BJDLEUZHIUEPTA-OAHLLOKOSA-N 1 0 381.442 3.926 20 30 GHEDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421370731 846182524 /nfs/dbraw/zinc/18/25/24/846182524.db2.gz XDHRPLCBUBNKIG-UHFFFAOYSA-N 1 0 375.831 3.786 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414517689 846226477 /nfs/dbraw/zinc/22/64/77/846226477.db2.gz RBRUCRNHXLSGBU-IBGZPJMESA-N 1 0 388.519 3.545 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCC2)nn1 ZINC000657326245 846234654 /nfs/dbraw/zinc/23/46/54/846234654.db2.gz KZSIAWXAGQJYLR-UHFFFAOYSA-N 1 0 375.314 3.828 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000502634477 846275903 /nfs/dbraw/zinc/27/59/03/846275903.db2.gz DSZIQXFNUIHNBH-ILXRZTDVSA-N 1 0 375.538 3.620 20 30 GHEDRO C[C@]1(c2ccccc2)CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000329565781 861671208 /nfs/dbraw/zinc/67/12/08/861671208.db2.gz SQULUWZYVQNXRK-GPXNEJASSA-N 1 0 399.579 3.722 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc4ccccc4n3)CC2)cc1 ZINC000280494331 846423360 /nfs/dbraw/zinc/42/33/60/846423360.db2.gz OZTWAJOQKQUDJX-UHFFFAOYSA-N 1 0 398.510 3.774 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000551714880 846486783 /nfs/dbraw/zinc/48/67/83/846486783.db2.gz ZZEQEXWVFHJWRX-UHFFFAOYSA-N 1 0 385.533 3.654 20 30 GHEDRO C=CCCn1cc(C[NH2+]C[C@@H](C)Sc2ccc(Br)cc2)nn1 ZINC000657356602 846503824 /nfs/dbraw/zinc/50/38/24/846503824.db2.gz OIOZYHVRGTWCOA-CYBMUJFWSA-N 1 0 381.343 3.887 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000473536181 846504801 /nfs/dbraw/zinc/50/48/01/846504801.db2.gz YFWYLOXHLSNYDT-XLIONFOSSA-N 1 0 382.907 3.789 20 30 GHEDRO O=C(CC1CCCC1)NC1CCC(C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000329577838 861696519 /nfs/dbraw/zinc/69/65/19/861696519.db2.gz WEHNSOMCKUWJAM-UHFFFAOYSA-N 1 0 375.557 3.779 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000684795378 846654357 /nfs/dbraw/zinc/65/43/57/846654357.db2.gz JJVKJIYGSUOHBR-YSFPZDHXSA-N 1 0 397.563 3.568 20 30 GHEDRO CC1(C)[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)C[C@@H]1OCc1ccccc1 ZINC000451500347 846670895 /nfs/dbraw/zinc/67/08/95/846670895.db2.gz OTRWYAMXMNLVLG-ROUUACIJSA-N 1 0 383.517 3.922 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)cc1 ZINC000511093363 846691350 /nfs/dbraw/zinc/69/13/50/846691350.db2.gz VMSYPLUVYISNEG-GCJKJVERSA-N 1 0 386.442 3.860 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000419611663 846698566 /nfs/dbraw/zinc/69/85/66/846698566.db2.gz KXEGFPZKBGIRPU-FCHUYYIVSA-N 1 0 392.503 3.546 20 30 GHEDRO COc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(F)cc1C#N ZINC000599816269 861714324 /nfs/dbraw/zinc/71/43/24/861714324.db2.gz KXQCFVMYJJYNAD-QAPCUYQASA-N 1 0 396.466 3.881 20 30 GHEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(F)cc1C#N ZINC000599820153 861726363 /nfs/dbraw/zinc/72/63/63/861726363.db2.gz VJTSFZOBMRXINP-MRXNPFEDSA-N 1 0 396.466 3.834 20 30 GHEDRO COc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)cc1C#N ZINC000599820122 861726744 /nfs/dbraw/zinc/72/67/44/861726744.db2.gz VAIYRYZPXRONOL-KXBFYZLASA-N 1 0 396.466 3.738 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422178835 846877686 /nfs/dbraw/zinc/87/76/86/846877686.db2.gz DDAYOPPHPBAHLZ-QHCPKHFHSA-N 1 0 398.595 3.896 20 30 GHEDRO C=CCC[C@H]1NC(=O)N(Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1=O ZINC000419926953 846888800 /nfs/dbraw/zinc/88/88/00/846888800.db2.gz QOKMLKSCPGRFRO-OAQYLSRUSA-N 1 0 377.488 3.802 20 30 GHEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c(F)cc1C#N ZINC000599820760 861731826 /nfs/dbraw/zinc/73/18/26/861731826.db2.gz ZKFUWRHZWRXPOR-UHFFFAOYSA-N 1 0 396.466 3.754 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](CCCO)c2ccccc2)c1C ZINC000271753099 846910863 /nfs/dbraw/zinc/91/08/63/846910863.db2.gz GHBQTUFGIBRDAM-OAQYLSRUSA-N 1 0 379.504 3.654 20 30 GHEDRO CCOC(=O)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000158101866 846951083 /nfs/dbraw/zinc/95/10/83/846951083.db2.gz ZSOLCXDOMKRAAD-UHFFFAOYSA-N 1 0 378.472 3.912 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000272963935 847216282 /nfs/dbraw/zinc/21/62/82/847216282.db2.gz OABMXXHJQFOSKO-XDBZFTIUSA-N 1 0 397.544 3.638 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000272963924 847216835 /nfs/dbraw/zinc/21/68/35/847216835.db2.gz OABMXXHJQFOSKO-KWMCUTETSA-N 1 0 397.544 3.638 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000329610315 861770752 /nfs/dbraw/zinc/77/07/52/861770752.db2.gz JGYJDZPULXUPQO-UHFFFAOYSA-N 1 0 381.524 3.848 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000329612628 861773521 /nfs/dbraw/zinc/77/35/21/861773521.db2.gz KDBKMNBCMSOFKV-IERDGZPVSA-N 1 0 379.504 3.881 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000047987474 847309139 /nfs/dbraw/zinc/30/91/39/847309139.db2.gz HFWDCLDOTNFPPA-HXUWFJFHSA-N 1 0 382.895 3.848 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000503246996 847513776 /nfs/dbraw/zinc/51/37/76/847513776.db2.gz VGWUKWPYTWNMCM-UHFFFAOYSA-N 1 0 385.537 3.908 20 30 GHEDRO COc1ccc(OCCC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000502179925 847565748 /nfs/dbraw/zinc/56/57/48/847565748.db2.gz VOTHTQSNNORHKP-UHFFFAOYSA-N 1 0 393.487 3.686 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000502282736 847690743 /nfs/dbraw/zinc/69/07/43/847690743.db2.gz RRIZLNKHENOGEA-QFIPXVFZSA-N 1 0 380.536 3.867 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)[NH+]2CCCC2)cc1 ZINC000503495978 847749605 /nfs/dbraw/zinc/74/96/05/847749605.db2.gz QSHLORBPWSDCJA-FQEVSTJZSA-N 1 0 383.879 3.787 20 30 GHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000503704168 847910312 /nfs/dbraw/zinc/91/03/12/847910312.db2.gz TZHPBIZHAXXWPD-JOCHJYFZSA-N 1 0 385.508 3.791 20 30 GHEDRO Cc1ccc(CN(C(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)C2CC2)o1 ZINC000502527148 847967997 /nfs/dbraw/zinc/96/79/97/847967997.db2.gz FDPBMANQTOXKNH-UHFFFAOYSA-N 1 0 375.472 3.740 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)s1 ZINC000421350443 847968900 /nfs/dbraw/zinc/96/89/00/847968900.db2.gz LOLFDNLSEVFRRS-LLVKDONJSA-N 1 0 378.295 3.889 20 30 GHEDRO N#CCc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c(Cl)c1 ZINC000582707640 848103780 /nfs/dbraw/zinc/10/37/80/848103780.db2.gz AJLLYFFTCQEKCS-UHFFFAOYSA-N 1 0 397.906 3.863 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000582713530 848119740 /nfs/dbraw/zinc/11/97/40/848119740.db2.gz TYXIPXZNMGFCEE-ZHALLVOQSA-N 1 0 376.460 3.860 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c1 ZINC000582724207 848150053 /nfs/dbraw/zinc/15/00/53/848150053.db2.gz FIOBYUUKSFDIJG-GOSISDBHSA-N 1 0 383.442 3.755 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)C2CCC2)cc1OCC ZINC000657557725 848201889 /nfs/dbraw/zinc/20/18/89/848201889.db2.gz ZXERGCSVZSCNQP-MRXNPFEDSA-N 1 0 384.314 3.663 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000604147696 861892475 /nfs/dbraw/zinc/89/24/75/861892475.db2.gz APFILCMOMBZPIV-HSZRJFAPSA-N 1 0 391.515 3.874 20 30 GHEDRO COc1cc2cccnc2c(N(c2cnc(F)c(C#N)c2)[C@@H](C)CCC[NH3+])c1 ZINC001167615750 848371229 /nfs/dbraw/zinc/37/12/29/848371229.db2.gz ONSGLDCGHGQNFY-AWEZNQCLSA-N 1 0 379.439 3.915 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000511211835 848612603 /nfs/dbraw/zinc/61/26/03/848612603.db2.gz ATDCZCWIHAWEAE-HXUWFJFHSA-N 1 0 378.476 3.916 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000582885706 848627121 /nfs/dbraw/zinc/62/71/21/848627121.db2.gz OUOAPMXOEMZCKK-HXOBKFHXSA-N 1 0 398.526 3.619 20 30 GHEDRO C[C@H]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[NH2+]1 ZINC000599938952 861939121 /nfs/dbraw/zinc/93/91/21/861939121.db2.gz KHICIUKCVVRWTJ-HRAATJIYSA-N 1 0 380.467 3.550 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000583013961 848876524 /nfs/dbraw/zinc/87/65/24/848876524.db2.gz BPORXOOYVLQDLO-HSZRJFAPSA-N 1 0 388.515 3.899 20 30 GHEDRO COc1ccc(-c2cnc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000255564290 848927440 /nfs/dbraw/zinc/92/74/40/848927440.db2.gz RTGVYYLHQCGSTM-UHFFFAOYSA-N 1 0 393.443 3.738 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)COc2ccccc2C#N)c2ccccc2)CC1 ZINC000604200088 861967682 /nfs/dbraw/zinc/96/76/82/861967682.db2.gz ACGNZZVREWPSRC-OAQYLSRUSA-N 1 0 377.488 3.526 20 30 GHEDRO CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CC[NH+](C)CC1 ZINC000599985612 861981313 /nfs/dbraw/zinc/98/13/13/861981313.db2.gz HTIGWVQMYBXELT-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000535961869 849332795 /nfs/dbraw/zinc/33/27/95/849332795.db2.gz AEVFBCZYHMVQGG-KRWDZBQOSA-N 1 0 393.516 3.771 20 30 GHEDRO N#CC1(CCCC[NH2+][C@H](CO)c2ccccc2I)CCC1 ZINC000934827452 849351062 /nfs/dbraw/zinc/35/10/62/849351062.db2.gz WEAXPNFPIBOJBX-MRXNPFEDSA-N 1 0 398.288 3.778 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000583230981 849381247 /nfs/dbraw/zinc/38/12/47/849381247.db2.gz GZFRSWINSYPEGT-UYAOXDASSA-N 1 0 397.567 3.772 20 30 GHEDRO COc1ccc2oc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c1 ZINC000503932438 849780606 /nfs/dbraw/zinc/78/06/06/849780606.db2.gz YNMGRZZEFJBWIN-FQEVSTJZSA-N 1 0 375.428 3.598 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1OC ZINC000503942450 849787021 /nfs/dbraw/zinc/78/70/21/849787021.db2.gz DDXCZPILMJDCHK-DZGCQCFKSA-N 1 0 384.314 3.927 20 30 GHEDRO COc1cc(C[N@H+](C)CCCC2(C#N)CCOCC2)c(SC)cc1OC ZINC000281994618 849858442 /nfs/dbraw/zinc/85/84/42/849858442.db2.gz NCLHBNKNKPBKEV-UHFFFAOYSA-N 1 0 378.538 3.958 20 30 GHEDRO C=C(C)CN1CCC([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000583436264 849904131 /nfs/dbraw/zinc/90/41/31/849904131.db2.gz YJVZCDRICYISON-QHCPKHFHSA-N 1 0 380.532 3.723 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000504112463 849912879 /nfs/dbraw/zinc/91/28/79/849912879.db2.gz XJIRRGMECCLNBT-LJQANCHMSA-N 1 0 389.540 3.657 20 30 GHEDRO CC(C)[NH+](CCN(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(C)C ZINC000504193889 849964699 /nfs/dbraw/zinc/96/46/99/849964699.db2.gz KDBZIEVSQCCKJT-UHFFFAOYSA-N 1 0 383.492 3.921 20 30 GHEDRO N#Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000425273361 850046496 /nfs/dbraw/zinc/04/64/96/850046496.db2.gz IRCVCJROKFOLNA-HTAPYJJXSA-N 1 0 399.454 3.725 20 30 GHEDRO CC(C)CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000486858424 850173334 /nfs/dbraw/zinc/17/33/34/850173334.db2.gz MAZBTZZNAWLKHT-QHCPKHFHSA-N 1 0 391.515 3.874 20 30 GHEDRO COc1ccc([C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2Cl)c(C)c1 ZINC000424123835 850238871 /nfs/dbraw/zinc/23/88/71/850238871.db2.gz LPHNDOQBIXIADO-VQTJNVASSA-N 1 0 385.895 3.884 20 30 GHEDRO N#Cc1c(F)cccc1N1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000029858080 862108738 /nfs/dbraw/zinc/10/87/38/862108738.db2.gz QWJKOIMBYRQUIF-UHFFFAOYSA-N 1 0 391.450 3.502 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000424133674 850260741 /nfs/dbraw/zinc/26/07/41/850260741.db2.gz XTVADYJWAHRCBG-QZTJIDSGSA-N 1 0 377.822 3.845 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000424165622 850272459 /nfs/dbraw/zinc/27/24/59/850272459.db2.gz ARVCMSJCRYYWOB-UGKGYDQZSA-N 1 0 377.488 3.902 20 30 GHEDRO CCCc1c(NC(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439708541 850286344 /nfs/dbraw/zinc/28/63/44/850286344.db2.gz YSIKPVCWYRSUKA-SJORKVTESA-N 1 0 394.523 3.643 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H]1C ZINC000443897915 862117185 /nfs/dbraw/zinc/11/71/85/862117185.db2.gz GQMILFNLUJDQOH-AVRDEDQJSA-N 1 0 376.504 3.818 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000505001378 850504080 /nfs/dbraw/zinc/50/40/80/850504080.db2.gz SEOYJWOSZBNMDK-UHFFFAOYSA-N 1 0 384.568 3.828 20 30 GHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[NH+](C)C ZINC000504984382 850507381 /nfs/dbraw/zinc/50/73/81/850507381.db2.gz CVJQCWKCJKVPBJ-GUYCJALGSA-N 1 0 390.409 3.702 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000505010789 850519587 /nfs/dbraw/zinc/51/95/87/850519587.db2.gz LUWKMCJQBNZEHF-PMACEKPBSA-N 1 0 384.568 3.828 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481746364 862153462 /nfs/dbraw/zinc/15/34/62/862153462.db2.gz QLNLNTMCIWLVRR-SGTLLEGYSA-N 1 0 396.304 3.637 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1C#N ZINC000435559942 850666561 /nfs/dbraw/zinc/66/65/61/850666561.db2.gz RZBMAAJKLAQTHW-HXUWFJFHSA-N 1 0 380.492 3.640 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000162835589 862165623 /nfs/dbraw/zinc/16/56/23/862165623.db2.gz FPCWVAPAQADSPM-HXUWFJFHSA-N 1 0 383.536 3.830 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)CC1 ZINC000180480043 862163237 /nfs/dbraw/zinc/16/32/37/862163237.db2.gz BTWHSUYOMAOTOY-UHFFFAOYSA-N 1 0 390.377 3.660 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000435727558 850791337 /nfs/dbraw/zinc/79/13/37/850791337.db2.gz ZBCCILZYTRZNCD-MEBBXXQBSA-N 1 0 393.215 3.640 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccccc1 ZINC000435764066 850836922 /nfs/dbraw/zinc/83/69/22/850836922.db2.gz NSROQTRFLODCFK-XPNTWCBSSA-N 1 0 398.595 3.894 20 30 GHEDRO C#CCCCc1nnc(N2CC[C@H](C[N@@H+](C)CCC)C2)n1Cc1cccs1 ZINC000909918144 850842621 /nfs/dbraw/zinc/84/26/21/850842621.db2.gz FASAGJKTVNONEU-GOSISDBHSA-N 1 0 385.581 3.512 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000425016056 850866499 /nfs/dbraw/zinc/86/64/99/850866499.db2.gz WGLUEOUUBNSEJA-FCHUYYIVSA-N 1 0 391.540 3.524 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000435899981 850958196 /nfs/dbraw/zinc/95/81/96/850958196.db2.gz YXYOTKWYEBNPHH-ACJLOTCBSA-N 1 0 384.277 3.777 20 30 GHEDRO Cc1ccc2c(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)ccc(O)c2n1 ZINC000513884699 850972269 /nfs/dbraw/zinc/97/22/69/850972269.db2.gz CDIVVCUGBCTAIR-UHFFFAOYSA-N 1 0 376.435 3.582 20 30 GHEDRO N#Cc1ncc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1Cl ZINC000515493845 851105482 /nfs/dbraw/zinc/10/54/82/851105482.db2.gz FYRLCWAPBLIPDU-OAQYLSRUSA-N 1 0 395.894 3.737 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000180531586 862209388 /nfs/dbraw/zinc/20/93/88/862209388.db2.gz MAVRUVUPFGNGPR-HOCLYGCPSA-N 1 0 384.314 3.615 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1nc2ccccc2n1C ZINC000440399350 851158616 /nfs/dbraw/zinc/15/86/16/851158616.db2.gz QRPINWJEDNDJKZ-UGKGYDQZSA-N 1 0 391.515 3.879 20 30 GHEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@H](c3ccccc3)[C@H](C)C2)n1C ZINC000261931691 851203734 /nfs/dbraw/zinc/20/37/34/851203734.db2.gz BNQURRPZHZIHQM-UTKZUKDTSA-N 1 0 394.567 3.637 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[N@H+](C)CC[C@H]2C)cc1OC ZINC000514088775 851226552 /nfs/dbraw/zinc/22/65/52/851226552.db2.gz MTYBOWFRYWTFCE-CQSZACIVSA-N 1 0 383.330 3.549 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481761503 862225297 /nfs/dbraw/zinc/22/52/97/862225297.db2.gz PPZHXJJDYICOBI-QZTJIDSGSA-N 1 0 396.304 3.683 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425521668 851506170 /nfs/dbraw/zinc/50/61/70/851506170.db2.gz YUSBIYONPMIPJJ-GHTZIAJQSA-N 1 0 376.504 3.783 20 30 GHEDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000430099774 851574091 /nfs/dbraw/zinc/57/40/91/851574091.db2.gz FNEQQYRZXAUPKJ-QHCPKHFHSA-N 1 0 378.472 3.686 20 30 GHEDRO N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000505812252 851581931 /nfs/dbraw/zinc/58/19/31/851581931.db2.gz MTQGBISZEWCLNG-UHFFFAOYSA-N 1 0 390.487 3.554 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000505814898 851597398 /nfs/dbraw/zinc/59/73/98/851597398.db2.gz YHMKCGAXEMLCGE-QFIPXVFZSA-N 1 0 391.515 3.697 20 30 GHEDRO CC[NH+]=C(NCCc1c[nH]c2c1cccc2C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261934957 851598314 /nfs/dbraw/zinc/59/83/14/851598314.db2.gz CETIYLYUBMQTRI-LAUBAEHRSA-N 1 0 392.551 3.764 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000425546902 851611695 /nfs/dbraw/zinc/61/16/95/851611695.db2.gz WKUQKEVOONDFBA-RDTXWAMCSA-N 1 0 389.293 3.753 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000425546901 851611873 /nfs/dbraw/zinc/61/18/73/851611873.db2.gz WKUQKEVOONDFBA-KSSFIOAISA-N 1 0 389.293 3.753 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)C1CCCCC1 ZINC000473740555 851809991 /nfs/dbraw/zinc/80/99/91/851809991.db2.gz XADVAUKWOWRYPV-GOSISDBHSA-N 1 0 378.586 3.526 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C#N ZINC000543559009 851833440 /nfs/dbraw/zinc/83/34/40/851833440.db2.gz OJMPPSHURNDZEC-NQIIRXRSSA-N 1 0 382.435 3.836 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1ccc(Cl)cc1 ZINC000604540286 862291461 /nfs/dbraw/zinc/29/14/61/862291461.db2.gz SDKJJNIBTUCREV-UHFFFAOYSA-N 1 0 398.938 3.918 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1)C(=O)OC(C)(C)C ZINC000729466304 851885017 /nfs/dbraw/zinc/88/50/17/851885017.db2.gz NDFUJYAMJMYSOA-GOSISDBHSA-N 1 0 395.507 3.568 20 30 GHEDRO CC1(C)CC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC(C)(C)[NH2+]1 ZINC000111769508 851926203 /nfs/dbraw/zinc/92/62/03/851926203.db2.gz YYYNRTAIKYBCIC-UHFFFAOYSA-N 1 0 376.504 3.912 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000437994262 851929835 /nfs/dbraw/zinc/92/98/35/851929835.db2.gz AGZOULOWRVPRNY-LUKWVAJMSA-N 1 0 397.563 3.664 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC(=O)N[C@H](CC)C1 ZINC000329766873 862304156 /nfs/dbraw/zinc/30/41/56/862304156.db2.gz YRUWKRPBPYFPHG-JKSUJKDBSA-N 1 0 388.512 3.570 20 30 GHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2nccc(C)c2c1 ZINC000550214169 851969568 /nfs/dbraw/zinc/96/95/68/851969568.db2.gz LPSOCZCUYFPPBL-UHFFFAOYSA-N 1 0 386.499 3.927 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC(=O)N[C@@H](CC)C1 ZINC000329766871 862305412 /nfs/dbraw/zinc/30/54/12/862305412.db2.gz YRUWKRPBPYFPHG-HOTGVXAUSA-N 1 0 388.512 3.570 20 30 GHEDRO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000515945532 851979393 /nfs/dbraw/zinc/97/93/93/851979393.db2.gz RVYDGFGFMIUYID-GOSISDBHSA-N 1 0 379.479 3.925 20 30 GHEDRO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000515945533 851979605 /nfs/dbraw/zinc/97/96/05/851979605.db2.gz RVYDGFGFMIUYID-SFHVURJKSA-N 1 0 379.479 3.925 20 30 GHEDRO CC(C)(C)c1ccc([C@H](C#N)NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000505834147 851982580 /nfs/dbraw/zinc/98/25/80/851982580.db2.gz RPPBJMDMELFLND-FQEVSTJZSA-N 1 0 383.536 3.700 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000894739054 852087332 /nfs/dbraw/zinc/08/73/32/852087332.db2.gz XPHLGMUBGWKMDX-MOPGFXCFSA-N 1 0 390.524 3.661 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC(=O)NCCc2ccccc2)c1 ZINC000111400749 852116799 /nfs/dbraw/zinc/11/67/99/852116799.db2.gz DBCUBVZGGYXQHH-UHFFFAOYSA-N 1 0 399.494 3.586 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c(C(F)(F)F)c1 ZINC000516119424 852168154 /nfs/dbraw/zinc/16/81/54/852168154.db2.gz JPOYHSCKKQUTLL-UHFFFAOYSA-N 1 0 381.442 3.702 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CCCCC12CCCC2 ZINC000329815788 862341602 /nfs/dbraw/zinc/34/16/02/862341602.db2.gz OBDRWEYSSFVKEJ-HSALFYBXSA-N 1 0 377.573 3.761 20 30 GHEDRO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000438449188 852413354 /nfs/dbraw/zinc/41/33/54/852413354.db2.gz BGXXEESSDWBAKC-CVDCTZTESA-N 1 0 390.531 3.872 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21)C(C)C ZINC000625558792 862354480 /nfs/dbraw/zinc/35/44/80/862354480.db2.gz XWOVVLMXWHFDNC-JKSUJKDBSA-N 1 0 398.473 3.594 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000438460138 852438463 /nfs/dbraw/zinc/43/84/63/852438463.db2.gz ZRUITXNWMDOPRD-RTWAWAEBSA-N 1 0 377.573 3.511 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000570562694 852588236 /nfs/dbraw/zinc/58/82/36/852588236.db2.gz SQRZYDIAWVYKJS-SFHVURJKSA-N 1 0 377.602 3.979 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000555996158 862378806 /nfs/dbraw/zinc/37/88/06/862378806.db2.gz FCFNAMJMEFFOCW-OALUTQOASA-N 1 0 385.552 3.538 20 30 GHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490039354 852720054 /nfs/dbraw/zinc/72/00/54/852720054.db2.gz KYXGURGXCNKRDV-SFHVURJKSA-N 1 0 395.503 3.993 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000516559415 852720269 /nfs/dbraw/zinc/72/02/69/852720269.db2.gz VILOHKBFLGMDLZ-MOPGFXCFSA-N 1 0 388.519 3.625 20 30 GHEDRO C=CCC[C@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000427114782 852730391 /nfs/dbraw/zinc/73/03/91/852730391.db2.gz ORKHOIMLZRCOAC-FUDKSRODSA-N 1 0 383.580 3.753 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC2(CCCCC2)CC1 ZINC000669032703 852765131 /nfs/dbraw/zinc/76/51/31/852765131.db2.gz SRNNMQMZMBISKT-MOPGFXCFSA-N 1 0 385.556 3.551 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC000912933119 852901113 /nfs/dbraw/zinc/90/11/13/852901113.db2.gz XRVLKJVPSKABFS-UHFFFAOYSA-N 1 0 388.515 3.571 20 30 GHEDRO COc1ccc2[nH]cc(C3=CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC3)c2c1 ZINC000509553041 852905957 /nfs/dbraw/zinc/90/59/57/852905957.db2.gz AYRXQEFOGABVGK-QMHKHESXSA-N 1 0 394.519 3.709 20 30 GHEDRO C=CCC[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccccc1 ZINC000490293249 852907411 /nfs/dbraw/zinc/90/74/11/852907411.db2.gz XNJQRNZMNCMPOV-JOCHJYFZSA-N 1 0 392.547 3.590 20 30 GHEDRO N#CCCN(Cc1ccco1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000509559538 852958761 /nfs/dbraw/zinc/95/87/61/852958761.db2.gz LSQTWIHCXBMSEF-LJQANCHMSA-N 1 0 387.430 3.679 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(F)cc3)c2CCC)CC1 ZINC000429635105 852988339 /nfs/dbraw/zinc/98/83/39/852988339.db2.gz YFOUFCGKVVJFPH-UHFFFAOYSA-N 1 0 385.487 3.736 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(N4CCCCC4)c4ncccc34)[C@@H]2C1 ZINC000329919327 862422859 /nfs/dbraw/zinc/42/28/59/862422859.db2.gz ROMDCOPLJIZKNL-LAUBAEHRSA-N 1 0 393.535 3.797 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[NH2+]CC2(C)C)cc1OCC ZINC000414971420 853128621 /nfs/dbraw/zinc/12/86/21/853128621.db2.gz LEAQMXWWYXNSPL-KRWDZBQOSA-N 1 0 397.357 3.890 20 30 GHEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329929329 862432999 /nfs/dbraw/zinc/43/29/99/862432999.db2.gz NILXMQHIUDLRHJ-DZFGPLHGSA-N 1 0 383.536 3.502 20 30 GHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000516922767 853159271 /nfs/dbraw/zinc/15/92/71/853159271.db2.gz QGROFXLEXWTDCZ-AWEZNQCLSA-N 1 0 396.434 3.572 20 30 GHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507716446 853220450 /nfs/dbraw/zinc/22/04/50/853220450.db2.gz HJIMOQXQGXJPRA-UHFFFAOYSA-N 1 0 381.432 3.991 20 30 GHEDRO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1-n1cccn1 ZINC000329950893 862451253 /nfs/dbraw/zinc/45/12/53/862451253.db2.gz MOEBLBGPTFMKSC-GOSISDBHSA-N 1 0 381.524 3.798 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000517095030 853355896 /nfs/dbraw/zinc/35/58/96/853355896.db2.gz JOAAHMCECQBRSX-HSZRJFAPSA-N 1 0 390.531 3.680 20 30 GHEDRO COc1cc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)ccc1C#N ZINC000440613476 853437044 /nfs/dbraw/zinc/43/70/44/853437044.db2.gz ODGUGENGFGCQIB-UHFFFAOYSA-N 1 0 392.503 3.993 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccc(F)cc3F)CC2)cc1 ZINC000017517656 853481160 /nfs/dbraw/zinc/48/11/60/853481160.db2.gz OWZDWRBCRKSPGL-UHFFFAOYSA-N 1 0 386.471 3.741 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000517244908 853554785 /nfs/dbraw/zinc/55/47/85/853554785.db2.gz OOFHEVDUJORIMG-UHFFFAOYSA-N 1 0 391.515 3.857 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000518621481 853571914 /nfs/dbraw/zinc/57/19/14/853571914.db2.gz UKIQBEWJMMZZNU-UHFFFAOYSA-N 1 0 398.514 3.715 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000506140419 853572805 /nfs/dbraw/zinc/57/28/05/853572805.db2.gz BPMILXQDOSVZMT-INIZCTEOSA-N 1 0 385.393 3.999 20 30 GHEDRO C=CCOc1c(Br)cc(CNCC[C@H]2CCC[NH2+]2)cc1OCC ZINC000414916268 853609910 /nfs/dbraw/zinc/60/99/10/853609910.db2.gz PLNDAGHRVQHNIZ-OAHLLOKOSA-N 1 0 383.330 3.644 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](CCc2ccccc2F)C2CCCC2)cc1 ZINC000519904739 853612211 /nfs/dbraw/zinc/61/22/11/853612211.db2.gz BAQQQCBEYPSXMW-OAQYLSRUSA-N 1 0 382.479 3.924 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430621 853644256 /nfs/dbraw/zinc/64/42/56/853644256.db2.gz MTJJBBHFIKMOGJ-HNNXBMFYSA-N 1 0 387.833 3.834 20 30 GHEDRO C=CCOCC[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000549996822 853647281 /nfs/dbraw/zinc/64/72/81/853647281.db2.gz BGQCRLLTLNWAEK-MRXNPFEDSA-N 1 0 384.314 3.641 20 30 GHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000156324489 853650461 /nfs/dbraw/zinc/65/04/61/853650461.db2.gz DPGFVJPANCJSRE-QFIPXVFZSA-N 1 0 378.451 3.685 20 30 GHEDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000439449585 853667753 /nfs/dbraw/zinc/66/77/53/853667753.db2.gz ILXLDIFZWYXQLC-UHFFFAOYSA-N 1 0 385.895 3.941 20 30 GHEDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000519990902 853722467 /nfs/dbraw/zinc/72/24/67/853722467.db2.gz CVSZIVKPRQMJTD-MRXNPFEDSA-N 1 0 393.491 3.662 20 30 GHEDRO O=C(NC1CCC(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC1)C1CC1 ZINC000330001993 862496528 /nfs/dbraw/zinc/49/65/28/862496528.db2.gz ARTQKOPQNQYVSV-UHFFFAOYSA-N 1 0 384.524 3.928 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[N@@H+]1C1CC1 ZINC000440930239 853761807 /nfs/dbraw/zinc/76/18/07/853761807.db2.gz GFIWFRXLVFNLGA-APWZRJJASA-N 1 0 375.472 3.900 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cc(C#N)ccc2C)[NH+]2CCCC2)cc1 ZINC000058453602 862518101 /nfs/dbraw/zinc/51/81/01/862518101.db2.gz NZZFTUXALOHMQE-NRFANRHFSA-N 1 0 378.476 3.834 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000163692155 862525244 /nfs/dbraw/zinc/52/52/44/862525244.db2.gz GSUAAJRXYMPKCH-SFHVURJKSA-N 1 0 395.503 3.828 20 30 GHEDRO C=C(C)CS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000571898143 854178842 /nfs/dbraw/zinc/17/88/42/854178842.db2.gz JJSTWRREAXNYCD-ZCTYVAAUSA-N 1 0 382.957 3.749 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588235549 854226865 /nfs/dbraw/zinc/22/68/65/854226865.db2.gz HYDCECSJXBNFNV-LPHOPBHVSA-N 1 0 391.475 3.836 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NCCc1ccccc1)[n+]1ccc(C)cc1 ZINC000186959577 862551928 /nfs/dbraw/zinc/55/19/28/862551928.db2.gz YLDVINVHUBDZOK-UHFFFAOYSA-O 1 0 394.520 3.658 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCSC1 ZINC000330078192 862557245 /nfs/dbraw/zinc/55/72/45/862557245.db2.gz NMXLDGNASMTCMD-LJQANCHMSA-N 1 0 391.537 3.881 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1C(F)(F)F ZINC000894988481 854368423 /nfs/dbraw/zinc/36/84/23/854368423.db2.gz ZLMQCXVZAFZJKE-UHFFFAOYSA-N 1 0 391.393 3.851 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)[NH+](C)C ZINC000588732551 854387007 /nfs/dbraw/zinc/38/70/07/854387007.db2.gz CURHWUGFRUHERH-YSZBQJHXSA-N 1 0 390.531 3.643 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550394629 854450316 /nfs/dbraw/zinc/45/03/16/854450316.db2.gz ZCDKRMNQHXVEOW-INIZCTEOSA-N 1 0 375.881 3.755 20 30 GHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)oc21 ZINC000572324316 854465390 /nfs/dbraw/zinc/46/53/90/854465390.db2.gz RCCLIWXAYGCPFZ-VQIMIIECSA-N 1 0 394.471 3.988 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000328624654 854485027 /nfs/dbraw/zinc/48/50/27/854485027.db2.gz ZSUBIQIAXWXACH-SFHVURJKSA-N 1 0 387.499 3.509 20 30 GHEDRO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000328662351 854494115 /nfs/dbraw/zinc/49/41/15/854494115.db2.gz XFXVKOWHQJPXBR-RGVPCPSESA-N 1 0 395.613 3.934 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cn2c(n1)CCCC2 ZINC000328703806 854515407 /nfs/dbraw/zinc/51/54/07/854515407.db2.gz KHBNZPVTHGEOSB-MRXNPFEDSA-N 1 0 392.425 3.817 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ncc(-c2ccccc2)o1 ZINC000328770320 854534611 /nfs/dbraw/zinc/53/46/11/854534611.db2.gz ABFMBKMZHIZGCA-LPHOPBHVSA-N 1 0 382.508 3.980 20 30 GHEDRO CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000328771083 854535247 /nfs/dbraw/zinc/53/52/47/854535247.db2.gz AKISZXYFCHJWKX-KRWDZBQOSA-N 1 0 375.538 3.862 20 30 GHEDRO Cc1nc(-c2ccc(NC(=O)N[C@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc(=O)[nH]1 ZINC000328814475 854546569 /nfs/dbraw/zinc/54/65/69/854546569.db2.gz GAXAFFMQUIIKKO-OWCLPIDISA-N 1 0 397.523 3.850 20 30 GHEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000328844962 854573296 /nfs/dbraw/zinc/57/32/96/854573296.db2.gz QCVKTUMSGLHHAK-GDBMZVCRSA-N 1 0 387.480 3.513 20 30 GHEDRO C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000330109881 862580100 /nfs/dbraw/zinc/58/01/00/862580100.db2.gz PUTJGXMTYUTMAA-MOPGFXCFSA-N 1 0 385.552 3.883 20 30 GHEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cnc([C@H]2CCCO2)s1 ZINC000328868340 854589271 /nfs/dbraw/zinc/58/92/71/854589271.db2.gz HFKLCPJVQSOTGK-QGZVFWFLSA-N 1 0 387.505 3.588 20 30 GHEDRO CC(=O)N[C@H](C)C1CCN(c2ccnc(N[C@@H]3CCCO[C@H]3C(C)C)n2)CC1 ZINC000330114489 862584509 /nfs/dbraw/zinc/58/45/09/862584509.db2.gz DVTDXTLYJJCUKO-ZTNFWEORSA-N 1 0 389.544 3.673 20 30 GHEDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481989530 862585217 /nfs/dbraw/zinc/58/52/17/862585217.db2.gz IVNQMNYXIPPTJX-FQEVSTJZSA-N 1 0 389.565 3.508 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000328979387 854639779 /nfs/dbraw/zinc/63/97/79/854639779.db2.gz QZTBCDXYTHDYJC-UXYNSRGZSA-N 1 0 396.915 3.577 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(CNC(=O)C4CCCC4)cc3)CC[C@H]21 ZINC000330123197 862593919 /nfs/dbraw/zinc/59/39/19/862593919.db2.gz KSKSOZSXVWDBEK-NHCUHLMSSA-N 1 0 383.536 3.890 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCCSC1)[NH+]1CCCCC1 ZINC000330125194 862595776 /nfs/dbraw/zinc/59/57/76/862595776.db2.gz LUYXUDISQHFYCB-AEFFLSMTSA-N 1 0 377.554 3.621 20 30 GHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000330966584 854784657 /nfs/dbraw/zinc/78/46/57/854784657.db2.gz AZXYMWZCHFSGCD-AWEZNQCLSA-N 1 0 393.329 3.825 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000589343248 854800072 /nfs/dbraw/zinc/80/00/72/854800072.db2.gz COXPELAWGMQGKD-MOPGFXCFSA-N 1 0 396.288 3.703 20 30 GHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000589320792 854808155 /nfs/dbraw/zinc/80/81/55/854808155.db2.gz WMKBACZBXFTITF-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000589350659 854822565 /nfs/dbraw/zinc/82/25/65/854822565.db2.gz YGRIEKDEQAKXHA-NZQKXSOJSA-N 1 0 380.488 3.536 20 30 GHEDRO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000330142509 862610520 /nfs/dbraw/zinc/61/05/20/862610520.db2.gz QPMONXXMFFGQFG-PWRODBHTSA-N 1 0 393.535 3.688 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N(C)Cc2cc(C#N)cs2)[NH+](C)C)cc1 ZINC000895057051 854898789 /nfs/dbraw/zinc/89/87/89/854898789.db2.gz DCYDIEMZSDYADU-SFHVURJKSA-N 1 0 388.562 3.786 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cccc(C#N)n2)cc1)C[C@@H]1CCCCO1 ZINC000589478918 854901066 /nfs/dbraw/zinc/90/10/66/854901066.db2.gz XTURNGLWNNSPHP-NRFANRHFSA-N 1 0 392.503 3.985 20 30 GHEDRO CC(C)N1CC[NH+](C2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)CC1 ZINC000589501723 854911163 /nfs/dbraw/zinc/91/11/63/854911163.db2.gz WWPFTUQSCVXPSB-UHFFFAOYSA-N 1 0 394.485 3.567 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(Cl)nc(N2CCCC2)c1)C(C)C ZINC000733001401 862631087 /nfs/dbraw/zinc/63/10/87/862631087.db2.gz QCDVLENVGAUDNT-SFHVURJKSA-N 1 0 390.959 3.764 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H](C(C)C)CC1 ZINC000669336139 855039140 /nfs/dbraw/zinc/03/91/40/855039140.db2.gz WWPDCSJMPVESKO-AQNXPRMDSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1cccs1 ZINC000669336630 855064367 /nfs/dbraw/zinc/06/43/67/855064367.db2.gz OEWFZFYUYWSJRW-SQNIBIBYSA-N 1 0 399.564 3.793 20 30 GHEDRO Cc1nc(-c2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)[nH]c1C ZINC000921669962 855073116 /nfs/dbraw/zinc/07/31/16/855073116.db2.gz GOVLAJKVDVAMPA-UHFFFAOYSA-N 1 0 390.491 3.992 20 30 GHEDRO Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056842643 855091363 /nfs/dbraw/zinc/09/13/63/855091363.db2.gz XBQJOPGSIBVGDH-HSZRJFAPSA-N 1 0 388.515 3.772 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)c(F)c1 ZINC000553540758 855095553 /nfs/dbraw/zinc/09/55/53/855095553.db2.gz IVERBATYHOZUNI-OAQYLSRUSA-N 1 0 399.510 3.864 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000589742977 855120016 /nfs/dbraw/zinc/12/00/16/855120016.db2.gz QBUJAVVKECRUQQ-GBAJDQEWSA-N 1 0 383.536 3.585 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000105721760 855136672 /nfs/dbraw/zinc/13/66/72/855136672.db2.gz GDCDIMWGMDTIDG-UHFFFAOYSA-N 1 0 394.494 3.751 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000106036361 855171070 /nfs/dbraw/zinc/17/10/70/855171070.db2.gz MJTJXNIDAOVVKD-ZDUSSCGKSA-N 1 0 399.304 3.512 20 30 GHEDRO N#Cc1cc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)ccn1 ZINC000590019590 855235595 /nfs/dbraw/zinc/23/55/95/855235595.db2.gz CSWSEMHPUQHMFD-NFBKMPQASA-N 1 0 389.430 3.633 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC000590032869 855243383 /nfs/dbraw/zinc/24/33/83/855243383.db2.gz ZDYNZMMDWZUOHY-UHFFFAOYSA-N 1 0 379.479 3.781 20 30 GHEDRO C=CCC(CC=C)C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000130630728 855326189 /nfs/dbraw/zinc/32/61/89/855326189.db2.gz ALLNKAHJGABOAB-UHFFFAOYSA-N 1 0 385.552 3.898 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@H](C(F)(F)F)C1 ZINC000590354051 855379523 /nfs/dbraw/zinc/37/95/23/855379523.db2.gz UKBROFSTCNPTFI-ZACQAIPSSA-N 1 0 379.426 3.571 20 30 GHEDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001143585648 855399530 /nfs/dbraw/zinc/39/95/30/855399530.db2.gz NDCUUPDMLCSZTD-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000330231015 862678858 /nfs/dbraw/zinc/67/88/58/862678858.db2.gz QVOJBVMDSSTLEG-VQIMIIECSA-N 1 0 395.544 3.628 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)COc2ccccc2C#N)C1 ZINC000107728829 855529285 /nfs/dbraw/zinc/52/92/85/855529285.db2.gz UPEGABIZHJWNIB-KDURUIRLSA-N 1 0 391.515 3.731 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc4cc(Cl)cnc4o3)C2=O)cc1 ZINC000590648981 855532231 /nfs/dbraw/zinc/53/22/31/855532231.db2.gz NZTJRBYOHATWCZ-GOSISDBHSA-N 1 0 380.835 3.638 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459110362 855542771 /nfs/dbraw/zinc/54/27/71/855542771.db2.gz FMHAXGXLYHSYHY-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(-c2ccccc2)nn1C ZINC000590778547 855580426 /nfs/dbraw/zinc/58/04/26/855580426.db2.gz OOAFBPNNUOEEMU-DYESRHJHSA-N 1 0 399.498 3.805 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)C2)C1 ZINC000590803332 855594899 /nfs/dbraw/zinc/59/48/99/855594899.db2.gz AKAKTJJLIHQXOK-QFIPXVFZSA-N 1 0 391.475 3.695 20 30 GHEDRO O=C(Nc1ccc2c(c1)oc1ccccc12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330255696 862697698 /nfs/dbraw/zinc/69/76/98/862697698.db2.gz PSVWURQHWKVINT-MRXNPFEDSA-N 1 0 379.460 3.786 20 30 GHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCCN1CCc2sccc2C1 ZINC000330264864 862705725 /nfs/dbraw/zinc/70/57/25/862705725.db2.gz YKPOYCVLGIZZLR-HNNXBMFYSA-N 1 0 391.562 3.770 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000056839620 855690511 /nfs/dbraw/zinc/69/05/11/855690511.db2.gz SLYVBHQWPJZTPX-JOCHJYFZSA-N 1 0 392.478 3.602 20 30 GHEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301509247 855705445 /nfs/dbraw/zinc/70/54/45/855705445.db2.gz AVKPZQOKIPHEGP-UHFFFAOYSA-N 1 0 396.457 3.616 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Br)s1 ZINC000057800855 855712443 /nfs/dbraw/zinc/71/24/43/855712443.db2.gz PTCBZWBOLXRXGT-UHFFFAOYSA-N 1 0 384.324 3.904 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000591037345 855731050 /nfs/dbraw/zinc/73/10/50/855731050.db2.gz QNJZYGIZZMGDOL-GSEOLPGOSA-N 1 0 395.528 3.666 20 30 GHEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301631679 855731961 /nfs/dbraw/zinc/73/19/61/855731961.db2.gz JFUDKQPNRCPLPY-UHFFFAOYSA-N 1 0 396.457 3.616 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000301939121 855784180 /nfs/dbraw/zinc/78/41/80/855784180.db2.gz VBIJLHPOKCYFTD-UHFFFAOYSA-N 1 0 391.475 3.611 20 30 GHEDRO N#Cc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)ccc1C(F)(F)F ZINC000302175430 855828088 /nfs/dbraw/zinc/82/80/88/855828088.db2.gz CADCUXPDKUKDDW-UHFFFAOYSA-N 1 0 381.442 3.906 20 30 GHEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302193215 855833259 /nfs/dbraw/zinc/83/32/59/855833259.db2.gz MSRBCURFBZBAHL-UHFFFAOYSA-N 1 0 396.457 3.616 20 30 GHEDRO N#Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302208751 855837596 /nfs/dbraw/zinc/83/75/96/855837596.db2.gz XZACZTXCDAYYSQ-WIYYLYMNSA-N 1 0 376.460 3.957 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)ccc1OC ZINC000057959171 855877490 /nfs/dbraw/zinc/87/74/90/855877490.db2.gz DKPRKSZWQTZSQP-UHFFFAOYSA-N 1 0 394.393 3.796 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC[C@H]1[NH3+] ZINC000591284632 855884169 /nfs/dbraw/zinc/88/41/69/855884169.db2.gz SFRKKCOKLHJFNX-VQIMIIECSA-N 1 0 394.475 3.950 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000108531595 855928730 /nfs/dbraw/zinc/92/87/30/855928730.db2.gz HIEDLECVDOOFBN-MRXNPFEDSA-N 1 0 381.505 3.687 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000108552556 855935144 /nfs/dbraw/zinc/93/51/44/855935144.db2.gz LILADMSMDDOQRB-PZJWPPBQSA-N 1 0 383.467 3.520 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCCC[C@H]3CO)ncn2)cc1 ZINC000302823134 855945533 /nfs/dbraw/zinc/94/55/33/855945533.db2.gz FNBDHSJKRPADHN-NRFANRHFSA-N 1 0 399.498 3.979 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000184260092 855953101 /nfs/dbraw/zinc/95/31/01/855953101.db2.gz PJHGYSZKQKGODU-UHFFFAOYSA-N 1 0 393.572 3.618 20 30 GHEDRO COCCOc1ccc(C#N)cc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000157353064 856074885 /nfs/dbraw/zinc/07/48/85/856074885.db2.gz IZXNEXDVFSIXIX-UHFFFAOYSA-N 1 0 379.504 3.702 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+](C)C)c1 ZINC000171292905 856079597 /nfs/dbraw/zinc/07/95/97/856079597.db2.gz LEAMWXFDHIZDGO-QFIPXVFZSA-N 1 0 392.503 3.544 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccco1 ZINC000171321103 856087815 /nfs/dbraw/zinc/08/78/15/856087815.db2.gz LWKLQECJMMZYNT-FQEVSTJZSA-N 1 0 380.492 3.908 20 30 GHEDRO N#Cc1cccc(OCCC[N@@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000485131825 856131546 /nfs/dbraw/zinc/13/15/46/856131546.db2.gz HIQWBWSYCHXWNX-UHFFFAOYSA-N 1 0 395.322 3.646 20 30 GHEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905202589 856210479 /nfs/dbraw/zinc/21/04/79/856210479.db2.gz RRCJIVVPLDCIOL-RDTXWAMCSA-N 1 0 384.442 3.501 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)cc1 ZINC000554841641 856221278 /nfs/dbraw/zinc/22/12/78/856221278.db2.gz LCAJWOQOABPPRZ-CQSZACIVSA-N 1 0 386.293 3.630 20 30 GHEDRO C#CC[N@@H+](C[C@H](O)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195132 862774692 /nfs/dbraw/zinc/77/46/92/862774692.db2.gz FAIIJNBNCPUFFD-OALUTQOASA-N 1 0 386.289 3.942 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190835424 856294293 /nfs/dbraw/zinc/29/42/93/856294293.db2.gz BVFCLENGZWMAOI-QHCPKHFHSA-N 1 0 393.531 3.675 20 30 GHEDRO CCC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccccc1Br ZINC000573572842 856295904 /nfs/dbraw/zinc/29/59/04/856295904.db2.gz HWHAJDUMYOSJJI-OAHLLOKOSA-N 1 0 380.330 3.984 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000250707277 856412048 /nfs/dbraw/zinc/41/20/48/856412048.db2.gz ZCZHYUXGOXQAOE-AAIMPIBUSA-N 1 0 391.515 3.913 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172487620 856454724 /nfs/dbraw/zinc/45/47/24/856454724.db2.gz FEURPBOXEACMNW-UHFFFAOYSA-N 1 0 378.423 3.642 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061288040 856469481 /nfs/dbraw/zinc/46/94/81/856469481.db2.gz HNKZPQCZBKIYIN-QGZVFWFLSA-N 1 0 395.528 3.556 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000573835925 856479876 /nfs/dbraw/zinc/47/98/76/856479876.db2.gz ZENWARNZBHUVNT-ZDXQCDESSA-N 1 0 394.515 3.558 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000485459687 856588428 /nfs/dbraw/zinc/58/84/28/856588428.db2.gz AFMJTFBZOPGGTP-UHFFFAOYSA-N 1 0 395.572 3.907 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1SCCc2sccc21 ZINC000172899515 856651213 /nfs/dbraw/zinc/65/12/13/856651213.db2.gz LHLLWQQZMHXDQR-LJQANCHMSA-N 1 0 385.558 3.541 20 30 GHEDRO Cn1cc(C[NH+]2CCC(CCC#N)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000569002661 856676163 /nfs/dbraw/zinc/67/61/63/856676163.db2.gz CJCGSQXVMFKMSF-UHFFFAOYSA-N 1 0 380.492 3.764 20 30 GHEDRO CCCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCc2ncsc2C1 ZINC000592188939 856687425 /nfs/dbraw/zinc/68/74/25/856687425.db2.gz RRTBXBARQLEARK-RBUKOAKNSA-N 1 0 399.560 3.608 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000543564957 862825699 /nfs/dbraw/zinc/82/56/99/862825699.db2.gz WEJQQIQORVOKNN-ZWKOTPCHSA-N 1 0 392.503 3.888 20 30 GHEDRO COC(=O)c1ccc(Cl)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000482227760 862828568 /nfs/dbraw/zinc/82/85/68/862828568.db2.gz HSSAQJVMFUWKDB-UHFFFAOYSA-N 1 0 399.878 3.873 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)c(C#N)c1C ZINC000592178353 856763461 /nfs/dbraw/zinc/76/34/61/856763461.db2.gz YTBCCHQOLIANSP-FQEVSTJZSA-N 1 0 395.528 3.835 20 30 GHEDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000592182559 856764550 /nfs/dbraw/zinc/76/45/50/856764550.db2.gz AJEKXZNELCQZDT-FQEVSTJZSA-N 1 0 387.405 3.726 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc1OC ZINC000508007662 856793461 /nfs/dbraw/zinc/79/34/61/856793461.db2.gz GKBWBYOGLBJIBO-LJQANCHMSA-N 1 0 395.503 3.814 20 30 GHEDRO Cc1cccc2nc(CC[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)cn21 ZINC000592378485 856823814 /nfs/dbraw/zinc/82/38/14/856823814.db2.gz AJZUBFQCPIOHHE-UHFFFAOYSA-N 1 0 384.487 3.752 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ncc(C#N)cc1Cl ZINC000427909199 856865943 /nfs/dbraw/zinc/86/59/43/856865943.db2.gz RVHJEMWMZCTOSN-OAHLLOKOSA-N 1 0 382.895 3.911 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccccc3Cl)CC2)cc1 ZINC000063070710 856884540 /nfs/dbraw/zinc/88/45/40/856884540.db2.gz VSJCTBIRDUCTEY-UHFFFAOYSA-N 1 0 396.922 3.672 20 30 GHEDRO CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CC[N@H+](C)C1 ZINC000592214203 856886170 /nfs/dbraw/zinc/88/61/70/856886170.db2.gz DQVOYWOWRIBPSW-QGZVFWFLSA-N 1 0 383.521 3.554 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000252801216 856890534 /nfs/dbraw/zinc/89/05/34/856890534.db2.gz ABZITBRJKJALKS-JTHBVZDNSA-N 1 0 377.488 3.669 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CC1 ZINC000592524186 856919289 /nfs/dbraw/zinc/91/92/89/856919289.db2.gz WFSOYGZQQNBBQK-UHFFFAOYSA-N 1 0 396.491 3.963 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000245594086 856993401 /nfs/dbraw/zinc/99/34/01/856993401.db2.gz BNELSZDYMUQSKM-APWZRJJASA-N 1 0 386.496 3.641 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000508251191 857103026 /nfs/dbraw/zinc/10/30/26/857103026.db2.gz MYPAEOFWMPLBMN-UHFFFAOYSA-N 1 0 394.475 3.967 20 30 GHEDRO CC(C)[NH+]1CCN(C2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)CC1 ZINC000428136261 857130632 /nfs/dbraw/zinc/13/06/32/857130632.db2.gz BIZOQFIZLPSYKR-UHFFFAOYSA-N 1 0 395.595 3.562 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1cc(F)cc(Br)c1 ZINC000485839633 857134604 /nfs/dbraw/zinc/13/46/04/857134604.db2.gz BWBHDHHYJXNBIB-LRDDRELGSA-N 1 0 384.293 3.637 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1cc(F)cc(Br)c1 ZINC000485843876 857138896 /nfs/dbraw/zinc/13/88/96/857138896.db2.gz FEKMBBUOLWGXKM-RDJZCZTQSA-N 1 0 384.293 3.683 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 ZINC000485871590 857173379 /nfs/dbraw/zinc/17/33/79/857173379.db2.gz QACNWGUTFMIFKD-ZRBLBEILSA-N 1 0 394.540 3.990 20 30 GHEDRO CC(C)(C#N)c1ccccc1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000593067788 857183517 /nfs/dbraw/zinc/18/35/17/857183517.db2.gz MCZMDYMWMHXBNJ-ZEQRLZLVSA-N 1 0 389.543 3.963 20 30 GHEDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000508340252 857199987 /nfs/dbraw/zinc/19/99/87/857199987.db2.gz QLBTXFZJLDTUGY-MRXNPFEDSA-N 1 0 383.517 3.807 20 30 GHEDRO CNC(=O)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000592400467 857322402 /nfs/dbraw/zinc/32/24/02/857322402.db2.gz UETFXDGIVDJJNA-KSSFIOAISA-N 1 0 389.421 3.833 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000174494556 857327151 /nfs/dbraw/zinc/32/71/51/857327151.db2.gz NLYVMFHDGIIXGX-HNNXBMFYSA-N 1 0 382.439 3.953 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174523558 857336102 /nfs/dbraw/zinc/33/61/02/857336102.db2.gz VJXNNTCQTIWRCX-IBGZPJMESA-N 1 0 393.487 3.678 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000246300142 857343606 /nfs/dbraw/zinc/34/36/06/857343606.db2.gz BYOFALVTPDSRHB-MOJGAOKDSA-N 1 0 390.531 3.856 20 30 GHEDRO C=CCOc1cccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593149009 857371154 /nfs/dbraw/zinc/37/11/54/857371154.db2.gz CLCHQWYQEZECAT-UHFFFAOYSA-N 1 0 390.487 3.909 20 30 GHEDRO N#CCCN(C(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1 ZINC000107898609 857382618 /nfs/dbraw/zinc/38/26/18/857382618.db2.gz AEOZJKIRNDQUQA-UHFFFAOYSA-N 1 0 397.906 3.882 20 30 GHEDRO Cc1nc(Br)ccc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001212564894 857418669 /nfs/dbraw/zinc/41/86/69/857418669.db2.gz IFLJBMJHTACPFI-UHFFFAOYSA-N 1 0 386.297 3.520 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000246627043 857419795 /nfs/dbraw/zinc/41/97/95/857419795.db2.gz WRRLCRSHHSBVFK-MOJGAOKDSA-N 1 0 390.531 3.856 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000042803998 857441106 /nfs/dbraw/zinc/44/11/06/857441106.db2.gz ZXAFLJYCTNVSQC-OAHLLOKOSA-N 1 0 386.446 3.671 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000058830944 857638499 /nfs/dbraw/zinc/63/84/99/857638499.db2.gz ANPBORYVFFWZPH-UHFFFAOYSA-N 1 0 381.476 3.580 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000521152846 857671024 /nfs/dbraw/zinc/67/10/24/857671024.db2.gz DADRJOVIXBCDCY-UHFFFAOYSA-N 1 0 378.520 3.988 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000593690677 857675787 /nfs/dbraw/zinc/67/57/87/857675787.db2.gz MSLDSEAXPGBMTN-WOJBJXKFSA-N 1 0 388.471 3.866 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)on2)c1 ZINC000574335938 857709890 /nfs/dbraw/zinc/70/98/90/857709890.db2.gz XLVUFUQDYIHVBG-GOSISDBHSA-N 1 0 392.484 3.842 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000553099921 857717378 /nfs/dbraw/zinc/71/73/78/857717378.db2.gz GZTUSRLJLNOVOV-QFIPXVFZSA-N 1 0 388.515 3.995 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000922069493 857721054 /nfs/dbraw/zinc/72/10/54/857721054.db2.gz MUQFASUEUOYBJI-UHFFFAOYSA-N 1 0 396.434 3.887 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466005078 857729502 /nfs/dbraw/zinc/72/95/02/857729502.db2.gz FSJZXTHBYAMGMC-UHFFFAOYSA-N 1 0 390.531 3.577 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3sc(Br)cc3C2)CC1 ZINC000676418716 857874480 /nfs/dbraw/zinc/87/44/80/857874480.db2.gz PHGVKSPROLLAMC-UHFFFAOYSA-N 1 0 398.370 3.619 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)cc1OC ZINC000521377280 857928820 /nfs/dbraw/zinc/92/88/20/857928820.db2.gz CTNKHUXTEBOLHD-UHFFFAOYSA-N 1 0 380.488 3.719 20 30 GHEDRO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330333231 862973939 /nfs/dbraw/zinc/97/39/39/862973939.db2.gz PPZUJPLHLDYVET-OGWHTMIXSA-N 1 0 379.570 3.696 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1C#N ZINC000553170096 858016207 /nfs/dbraw/zinc/01/62/07/858016207.db2.gz PEQDPIZJNVARFU-UHFFFAOYSA-N 1 0 392.528 3.509 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000574507321 858061688 /nfs/dbraw/zinc/06/16/88/858061688.db2.gz SGRQAJBWWOWBJR-HSZRJFAPSA-N 1 0 375.472 3.827 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000574632109 858124174 /nfs/dbraw/zinc/12/41/74/858124174.db2.gz NRKPODSMPYWEJM-OXJNMPFZSA-N 1 0 388.414 3.567 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccc(OC)cc3)CCCCC2)CC1 ZINC000521603964 858150109 /nfs/dbraw/zinc/15/01/09/858150109.db2.gz PIPDZKQFZKTNCV-UHFFFAOYSA-N 1 0 385.552 3.847 20 30 GHEDRO COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1OCCCC#N ZINC000159782220 862991777 /nfs/dbraw/zinc/99/17/77/862991777.db2.gz IKDWMXLJYWJYFY-UHFFFAOYSA-N 1 0 396.487 3.953 20 30 GHEDRO Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594433988 858176638 /nfs/dbraw/zinc/17/66/38/858176638.db2.gz VYECFUZNFPZFCY-SFHVURJKSA-N 1 0 375.476 3.992 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000594436110 858177512 /nfs/dbraw/zinc/17/75/12/858177512.db2.gz HRHAXEBPSCOTEP-LBPRGKRZSA-N 1 0 381.914 3.692 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594512059 858205485 /nfs/dbraw/zinc/20/54/85/858205485.db2.gz BEVNZMDUZSMUSG-OAHLLOKOSA-N 1 0 378.432 3.853 20 30 GHEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000281403446 863012508 /nfs/dbraw/zinc/01/25/08/863012508.db2.gz QQORTTOQCQQRIT-UHFFFAOYSA-N 1 0 385.430 3.948 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)Cc1cccnc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000078883399 858287633 /nfs/dbraw/zinc/28/76/33/858287633.db2.gz HMLCUYCXSJSWOI-HXUWFJFHSA-N 1 0 390.531 3.667 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001127165917 858298239 /nfs/dbraw/zinc/29/82/39/858298239.db2.gz RCMRFXVIGCUBKA-VQTJNVASSA-N 1 0 378.516 3.915 20 30 GHEDRO COC[C@@H](C)Oc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000594940968 858340636 /nfs/dbraw/zinc/34/06/36/858340636.db2.gz XBZREPQORFUAQZ-FEPNQTLGSA-N 1 0 395.503 3.847 20 30 GHEDRO COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ccc1C#N ZINC000594999321 858362019 /nfs/dbraw/zinc/36/20/19/858362019.db2.gz DAMAKVKDFQZSND-QFIPXVFZSA-N 1 0 375.516 3.959 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000066953421 858370417 /nfs/dbraw/zinc/37/04/17/858370417.db2.gz QVBACRDMEQHQDO-UHFFFAOYSA-N 1 0 376.460 3.910 20 30 GHEDRO N#Cc1ccc(CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C2CC2)cc1 ZINC000595269217 858458063 /nfs/dbraw/zinc/45/80/63/858458063.db2.gz JDDSYZWJTZOYOZ-VXKWHMMOSA-N 1 0 392.478 3.517 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCO2 ZINC000574970149 858477671 /nfs/dbraw/zinc/47/76/71/858477671.db2.gz UMYXPGPLRLZUST-GFCCVEGCSA-N 1 0 383.473 3.517 20 30 GHEDRO Cc1ccc2cccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2n1 ZINC000131005719 858528687 /nfs/dbraw/zinc/52/86/87/858528687.db2.gz IEQUFTHXVOCUGQ-UHFFFAOYSA-N 1 0 384.483 3.763 20 30 GHEDRO COc1ccc([C@H](CNc2nc(C(F)(F)F)ccc2C#N)[NH+](C)C)cc1OC ZINC000115515533 858554678 /nfs/dbraw/zinc/55/46/78/858554678.db2.gz SGOUYRXWCHJACF-AWEZNQCLSA-N 1 0 394.397 3.704 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595552018 858564236 /nfs/dbraw/zinc/56/42/36/858564236.db2.gz NOLKLNDTUVFFIP-UHFFFAOYSA-N 1 0 393.516 3.779 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2c1 ZINC000439172127 858634579 /nfs/dbraw/zinc/63/45/79/858634579.db2.gz XJGPQJFFEYKGSV-SJORKVTESA-N 1 0 380.492 3.575 20 30 GHEDRO CC(C)OCc1ccccc1CNC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639511 858634913 /nfs/dbraw/zinc/63/49/13/858634913.db2.gz LAWHCJVXTOATQO-UHFFFAOYSA-N 1 0 379.504 3.624 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595709739 858654359 /nfs/dbraw/zinc/65/43/59/858654359.db2.gz ZFIAPGBPWAWBCP-ABSDTBQOSA-N 1 0 377.488 3.648 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3cc(Cl)ccc3F)CCOCC2)c1 ZINC000595765679 858664265 /nfs/dbraw/zinc/66/42/65/858664265.db2.gz TZCSSNHJZWZCKM-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844509 858688386 /nfs/dbraw/zinc/68/83/86/858688386.db2.gz XWXYLWMAKKRXTB-UHFFFAOYSA-N 1 0 382.483 3.879 20 30 GHEDRO CC1(C)C[C@]1([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000595908342 858713788 /nfs/dbraw/zinc/71/37/88/858713788.db2.gz HXVKYAQEJUEURM-QHCPKHFHSA-N 1 0 385.471 3.597 20 30 GHEDRO COCC1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCCC1 ZINC000595909667 858714909 /nfs/dbraw/zinc/71/49/09/858714909.db2.gz BLHVOVLPYBFLDY-UHFFFAOYSA-N 1 0 375.538 3.766 20 30 GHEDRO CCC(CC)(CNC(=O)COc1ccccc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000609550140 858725360 /nfs/dbraw/zinc/72/53/60/858725360.db2.gz VGNUZCJSINESTM-GOSISDBHSA-N 1 0 379.504 3.963 20 30 GHEDRO Cn1ncc(C#N)c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000596130736 858787338 /nfs/dbraw/zinc/78/73/38/858787338.db2.gz FEJPVGZQAJBAPZ-YOEHRIQHSA-N 1 0 377.414 3.806 20 30 GHEDRO COc1cc2cc[nH+]c(NC3CCN(c4ccc(C#N)cn4)CC3)c2cc1OC ZINC000596108520 858795031 /nfs/dbraw/zinc/79/50/31/858795031.db2.gz LYFSJOGUMWQOQA-UHFFFAOYSA-N 1 0 389.459 3.600 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc(OC)c1O ZINC000522213856 858832796 /nfs/dbraw/zinc/83/27/96/858832796.db2.gz BFNMJWJAAFYZSP-MRXNPFEDSA-N 1 0 386.879 3.678 20 30 GHEDRO C#CCC1(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CCOCC1 ZINC000895241461 858885634 /nfs/dbraw/zinc/88/56/34/858885634.db2.gz FXCHWVCAINYFMM-UHFFFAOYSA-N 1 0 376.500 3.621 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000922958006 858894378 /nfs/dbraw/zinc/89/43/78/858894378.db2.gz MPLQFXZBAMGHLR-DEOSSOPVSA-N 1 0 375.516 3.816 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429287120 858936122 /nfs/dbraw/zinc/93/61/22/858936122.db2.gz UIYIZHAGGLHDKL-PKOBYXMFSA-N 1 0 392.341 3.717 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466293411 859013762 /nfs/dbraw/zinc/01/37/62/859013762.db2.gz NAHDOVLGDFJFCW-LJQANCHMSA-N 1 0 386.496 3.557 20 30 GHEDRO CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H]1CC[N@H+](C)C1 ZINC000596713976 859026968 /nfs/dbraw/zinc/02/69/68/859026968.db2.gz NBHPKAHYTHQSOA-SFHVURJKSA-N 1 0 394.475 3.917 20 30 GHEDRO C[N@H+](CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cc1ccccc1 ZINC000522313635 859028295 /nfs/dbraw/zinc/02/82/95/859028295.db2.gz QXGJCNRKOHUAFO-UHFFFAOYSA-N 1 0 399.494 3.999 20 30 GHEDRO CC#CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483105834 859150041 /nfs/dbraw/zinc/15/00/41/859150041.db2.gz RKADQMSURDWNIR-SJLPKXTDSA-N 1 0 381.442 3.801 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@](C)(C#N)C2)CC1 ZINC000596929668 859158571 /nfs/dbraw/zinc/15/85/71/859158571.db2.gz XOFVKBQNJWJKTH-IBGZPJMESA-N 1 0 376.888 3.580 20 30 GHEDRO [NH2+]=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1OC(F)(F)F ZINC000187135922 859197736 /nfs/dbraw/zinc/19/77/36/859197736.db2.gz USDPZBWYTARNCQ-YGRLFVJLSA-N 1 0 399.335 3.795 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCCc1cccc(C#N)c1 ZINC000466709205 859235089 /nfs/dbraw/zinc/23/50/89/859235089.db2.gz YRSRCEUSLQBUIG-UHFFFAOYSA-N 1 0 384.549 3.716 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(C#N)CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000601390780 859236753 /nfs/dbraw/zinc/23/67/53/859236753.db2.gz HSICLDNUCVWNNR-YOEHRIQHSA-N 1 0 375.875 3.672 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c(C)o1 ZINC000596997759 859237074 /nfs/dbraw/zinc/23/70/74/859237074.db2.gz HPMOJEKQMKCCIM-UHFFFAOYSA-N 1 0 377.488 3.846 20 30 GHEDRO CCOc1cc(NC2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)ncn1 ZINC000597088718 859276710 /nfs/dbraw/zinc/27/67/10/859276710.db2.gz NJPVTRMYXBTORM-UHFFFAOYSA-N 1 0 377.492 3.507 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3c4c(ccc3O)oc3c4CCCC3)CC2)nc1 ZINC000060444990 859278511 /nfs/dbraw/zinc/27/85/11/859278511.db2.gz UOLIXYUZXXYGBK-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000483306400 859283616 /nfs/dbraw/zinc/28/36/16/859283616.db2.gz TXJDQIGUOQQJLI-UZLBHIALSA-N 1 0 377.479 3.955 20 30 GHEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCc2ccccc21 ZINC000042635311 859308930 /nfs/dbraw/zinc/30/89/30/859308930.db2.gz WRMTZJVHTAPCIV-FQEVSTJZSA-N 1 0 386.417 3.792 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cccc(Cl)c3)CC2)c1 ZINC000593296158 859310911 /nfs/dbraw/zinc/31/09/11/859310911.db2.gz VYJALFXJLOPPEK-UHFFFAOYSA-N 1 0 382.895 3.675 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000499726131 859321014 /nfs/dbraw/zinc/32/10/14/859321014.db2.gz NFROCVGSNHLWQX-SFHVURJKSA-N 1 0 381.476 3.725 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000601563861 859357153 /nfs/dbraw/zinc/35/71/53/859357153.db2.gz YJLZBPGSBZHBOG-OAHLLOKOSA-N 1 0 380.517 3.906 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccc(C#N)cc1F ZINC000429439374 859373330 /nfs/dbraw/zinc/37/33/30/859373330.db2.gz DDZNCAUCPNMWSK-UKRRQHHQSA-N 1 0 391.284 3.962 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3ccc4cccnc4c3)CC2)c1 ZINC000601619388 859379622 /nfs/dbraw/zinc/37/96/22/859379622.db2.gz KEQUKJLIXAZMJB-UHFFFAOYSA-N 1 0 399.498 3.570 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCOC3(CCCC3)C2)sc2c1CCCCC2 ZINC000483488908 859396556 /nfs/dbraw/zinc/39/65/56/859396556.db2.gz FBWJTUNMQLJRKF-UHFFFAOYSA-N 1 0 387.549 3.862 20 30 GHEDRO N#CC1(c2ccccc2)CCC(N(Cc2ccccc2)C2(C[NH3+])COC2)CC1 ZINC001170358862 881419214 /nfs/dbraw/zinc/41/92/14/881419214.db2.gz AUDMMAXYQVRVSX-UHFFFAOYSA-N 1 0 375.516 3.620 20 30 GHEDRO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593341073 859470639 /nfs/dbraw/zinc/47/06/39/859470639.db2.gz JJQVMKSYCBNVNR-GAJHUEQPSA-N 1 0 388.515 3.755 20 30 GHEDRO CC(C)N(C)c1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000069373059 859479994 /nfs/dbraw/zinc/47/99/94/859479994.db2.gz MNKBECDQDNWZIL-UHFFFAOYSA-N 1 0 393.535 3.999 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001170364986 881427522 /nfs/dbraw/zinc/42/75/22/881427522.db2.gz LDURGMYZMKUBAT-TVRKMHQQSA-N 1 0 379.426 3.533 20 30 GHEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000483638060 859503055 /nfs/dbraw/zinc/50/30/55/859503055.db2.gz IXXMOJVHPHEVRD-OMWUSAIZSA-N 1 0 379.426 3.897 20 30 GHEDRO CSc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1F ZINC000593350293 859523771 /nfs/dbraw/zinc/52/37/71/859523771.db2.gz DEMHQULNILUOQL-UHFFFAOYSA-N 1 0 383.492 3.814 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3cnc4ccccc4c3)CC2)c1 ZINC000593351704 859530657 /nfs/dbraw/zinc/53/06/57/859530657.db2.gz QYQIIRGSRFPPHW-UHFFFAOYSA-N 1 0 398.510 3.820 20 30 GHEDRO Cc1cc(C)c(OCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC000593352334 859534133 /nfs/dbraw/zinc/53/41/33/859534133.db2.gz GKCVBSPDJJTCET-UHFFFAOYSA-N 1 0 391.515 3.643 20 30 GHEDRO CN(c1ncc(Br)cc1C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000383926840 859536287 /nfs/dbraw/zinc/53/62/87/859536287.db2.gz RWJYTCGBPVVJMD-UHFFFAOYSA-N 1 0 385.309 3.817 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@]3(F)c3ccccc3)CC2)c1 ZINC000593349051 859541202 /nfs/dbraw/zinc/54/12/02/859541202.db2.gz PIMFCZLVQYQNCZ-GMAHTHKFSA-N 1 0 377.463 3.524 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000483698405 859550227 /nfs/dbraw/zinc/55/02/27/859550227.db2.gz LAFOKARRRPSPRS-MAUKXSAKSA-N 1 0 381.442 3.571 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(F)c(C#N)c(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000597474508 859562234 /nfs/dbraw/zinc/56/22/34/859562234.db2.gz CBJCGTMJPQNJTK-LEWJYISDSA-N 1 0 397.425 3.553 20 30 GHEDRO N#CC1(NC(=O)c2cccc(N3CCCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000597477189 859564053 /nfs/dbraw/zinc/56/40/53/859564053.db2.gz QBQUFJCLWXENLA-UHFFFAOYSA-N 1 0 388.515 3.575 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccccn1 ZINC000161086732 859567744 /nfs/dbraw/zinc/56/77/44/859567744.db2.gz GQJCYKWFCIQRKQ-OAHLLOKOSA-N 1 0 382.533 3.990 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000499758646 859580012 /nfs/dbraw/zinc/58/00/12/859580012.db2.gz KAIKVPOOMCXGRA-UHFFFAOYSA-N 1 0 390.531 3.712 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000611165703 859630918 /nfs/dbraw/zinc/63/09/18/859630918.db2.gz ARTMSOLDJRCWKZ-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN1Cc1ccccc1 ZINC000611193021 859642776 /nfs/dbraw/zinc/64/27/76/859642776.db2.gz QGANGQMSQCQPMX-JOCHJYFZSA-N 1 0 389.547 3.565 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000597641277 859702418 /nfs/dbraw/zinc/70/24/18/859702418.db2.gz PYPDHRKYDUACBV-FQEVSTJZSA-N 1 0 384.483 3.656 20 30 GHEDRO C=CCOc1ccc(-c2nn(CN(C)CC3CC[NH+](C)CC3)c(=S)o2)cc1 ZINC000764970240 859715233 /nfs/dbraw/zinc/71/52/33/859715233.db2.gz OBBUTRYQCBLBET-UHFFFAOYSA-N 1 0 388.537 3.668 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000611387060 859731793 /nfs/dbraw/zinc/73/17/93/859731793.db2.gz DSDKVSNUSPKJMC-UONOGXRCSA-N 1 0 391.393 3.985 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC(C[NH+](C)C)CC2)c1=S ZINC000765006760 859733854 /nfs/dbraw/zinc/73/38/54/859733854.db2.gz PJVFRKNMLHINCE-UHFFFAOYSA-N 1 0 385.581 3.807 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000611393078 859736013 /nfs/dbraw/zinc/73/60/13/859736013.db2.gz HSLFBNITXSVGTI-PSTGCABASA-N 1 0 384.293 3.682 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474276744 859750152 /nfs/dbraw/zinc/75/01/52/859750152.db2.gz XPCQSWSGPMPWKT-MRXNPFEDSA-N 1 0 375.538 3.694 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1Oc1ccccc1C#N)C2 ZINC000597710965 859757219 /nfs/dbraw/zinc/75/72/19/859757219.db2.gz RFOMHNVHHJNBKT-QHCPKHFHSA-N 1 0 375.472 3.908 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)ccc1Cl ZINC000128865434 859776788 /nfs/dbraw/zinc/77/67/88/859776788.db2.gz ISLNRWDTOBXPDX-PMACEKPBSA-N 1 0 399.926 3.865 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611497875 859785562 /nfs/dbraw/zinc/78/55/62/859785562.db2.gz IIQCFOMFCGOOQH-IBGZPJMESA-N 1 0 393.441 3.605 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000118395513 859832605 /nfs/dbraw/zinc/83/26/05/859832605.db2.gz GAQJWGNYVRJTCS-RBBKRZOGSA-N 1 0 389.547 3.548 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3C[C@@H](O)CC4(CCOCC4)C3)c2)c1 ZINC000895721623 859870069 /nfs/dbraw/zinc/87/00/69/859870069.db2.gz DLVSDYMUKWEJAR-QFIPXVFZSA-N 1 0 392.499 3.501 20 30 GHEDRO COC(=O)CCC[NH+]1CCC(=NN=C2c3ccccc3-c3ccccc32)CC1 ZINC000727062543 859913024 /nfs/dbraw/zinc/91/30/24/859913024.db2.gz ZPPBSFZRDPLFIS-UHFFFAOYSA-N 1 0 375.472 3.909 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000765357649 859926128 /nfs/dbraw/zinc/92/61/28/859926128.db2.gz BQCNBKGAGDJLOX-MBSDFSHPSA-N 1 0 382.479 3.562 20 30 GHEDRO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 ZINC000091934004 859962312 /nfs/dbraw/zinc/96/23/12/859962312.db2.gz KHVIPMAZEKCWOU-UHFFFAOYSA-N 1 0 375.881 3.829 20 30 GHEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262246445 859974639 /nfs/dbraw/zinc/97/46/39/859974639.db2.gz OTHXKLOLEIJASP-CMKODMSKSA-N 1 0 380.540 3.600 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000602394831 859991947 /nfs/dbraw/zinc/99/19/47/859991947.db2.gz BEPULBNSKUNPFK-FRIYVGAWSA-N 1 0 381.520 3.801 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000593496654 860014108 /nfs/dbraw/zinc/01/41/08/860014108.db2.gz VBNBEIVMNKMZSV-SFTDATJTSA-N 1 0 390.531 3.730 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O)C(C)C ZINC000484453096 860015916 /nfs/dbraw/zinc/01/59/16/860015916.db2.gz DYMPMHBLPRQAGD-ACRUOGEOSA-N 1 0 381.520 3.853 20 30 GHEDRO CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039712 860018322 /nfs/dbraw/zinc/01/83/22/860018322.db2.gz MBQPCNBJMGOZEH-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000598044175 860020472 /nfs/dbraw/zinc/02/04/72/860020472.db2.gz ZDCBSTGLLLJUBD-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1ccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N2CCCCC2)cc1 ZINC000602498932 860064865 /nfs/dbraw/zinc/06/48/65/860064865.db2.gz MYRPDOUEZXPJQJ-DENIHFKCSA-N 1 0 385.552 3.911 20 30 GHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508925036 860067848 /nfs/dbraw/zinc/06/78/48/860067848.db2.gz ZWXMKUNLLIEZDS-SFTDATJTSA-N 1 0 395.551 3.676 20 30 GHEDRO N#Cc1cccc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000602525569 860097757 /nfs/dbraw/zinc/09/77/57/860097757.db2.gz FZMUYAAREQNVMU-UHFFFAOYSA-N 1 0 386.293 3.554 20 30 GHEDRO CC(C)OC(=O)c1cccnc1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593514509 860103730 /nfs/dbraw/zinc/10/37/30/860103730.db2.gz DUMHSBJTCOBGPM-UHFFFAOYSA-N 1 0 378.476 3.595 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1OC ZINC000054224647 860104806 /nfs/dbraw/zinc/10/48/06/860104806.db2.gz IORHRRLFDHOVRN-XLIONFOSSA-N 1 0 380.488 3.825 20 30 GHEDRO COc1ccc([C@H]([NH2+]C2CCC(C#N)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000602555857 860108682 /nfs/dbraw/zinc/10/86/82/860108682.db2.gz BKWMQJNZZQBNLO-NZBFNNPHSA-N 1 0 398.528 3.860 20 30 GHEDRO CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000092705679 860109415 /nfs/dbraw/zinc/10/94/15/860109415.db2.gz BKJKAGZOUZEVTQ-NRFANRHFSA-N 1 0 377.488 3.628 20 30 GHEDRO C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)Oc1cccc(Br)c1 ZINC000602561065 860112767 /nfs/dbraw/zinc/11/27/67/860112767.db2.gz QPCCXXKMLZNCSM-LSDHHAIUSA-N 1 0 381.314 3.905 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000598195980 860140985 /nfs/dbraw/zinc/14/09/85/860140985.db2.gz YGXRNKDLRBSHBV-GOTSBHOMSA-N 1 0 375.516 3.849 20 30 GHEDRO CC(C)[C@@H]1N(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC12CCC2 ZINC000593518501 860162187 /nfs/dbraw/zinc/16/21/87/860162187.db2.gz WLSLFSLNCVVHEE-NRFANRHFSA-N 1 0 380.536 3.743 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(OC)c1 ZINC000557021557 881507131 /nfs/dbraw/zinc/50/71/31/881507131.db2.gz CZECFYXKTSUAJK-PZJWPPBQSA-N 1 0 385.479 3.792 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1OCC ZINC000544365351 860199988 /nfs/dbraw/zinc/19/99/88/860199988.db2.gz HSUFQHBVGONCRK-YQQAZPJKSA-N 1 0 396.325 3.615 20 30 GHEDRO C=CCn1c(-c2sccc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508964993 860313401 /nfs/dbraw/zinc/31/34/01/860313401.db2.gz VNCDANZUXAGMAX-SJLPKXTDSA-N 1 0 383.565 3.954 20 30 GHEDRO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602912232 860363365 /nfs/dbraw/zinc/36/33/65/860363365.db2.gz MKGFNPKDQQZHKQ-JKSUJKDBSA-N 1 0 380.467 3.538 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000329457422 860365890 /nfs/dbraw/zinc/36/58/90/860365890.db2.gz QQZQTUXJRHGHAR-UWJYYQICSA-N 1 0 376.460 3.908 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000602918575 860367249 /nfs/dbraw/zinc/36/72/49/860367249.db2.gz SZDBLESJCJLVQD-DPMMWBKBSA-N 1 0 387.842 3.798 20 30 GHEDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CCO1 ZINC000665437099 860383628 /nfs/dbraw/zinc/38/36/28/860383628.db2.gz WBAOMGDRAHVOIP-FQEVSTJZSA-N 1 0 397.544 3.722 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1C#N ZINC000602977235 860384831 /nfs/dbraw/zinc/38/48/31/860384831.db2.gz ZIULJDSOBXWRED-YLJYHZDGSA-N 1 0 393.491 3.571 20 30 GHEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552281817 860415799 /nfs/dbraw/zinc/41/57/99/860415799.db2.gz KRJQZYFCECZIBU-YCRPNKLZSA-N 1 0 383.442 3.943 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000598622296 860450769 /nfs/dbraw/zinc/45/07/69/860450769.db2.gz ZSLORKDWXOVQPO-RJGXRXQPSA-N 1 0 377.532 3.545 20 30 GHEDRO N#Cc1c(C#N)c(N2CC[C@H](C[NH+]3CCCCC3)C2)nc2c1CCCCCC2 ZINC000330116560 860479020 /nfs/dbraw/zinc/47/90/20/860479020.db2.gz VQIQXTVYFCKQGT-GOSISDBHSA-N 1 0 377.536 3.796 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000598646127 860479717 /nfs/dbraw/zinc/47/97/17/860479717.db2.gz LDRYHUWDXIHJJK-UTKZUKDTSA-N 1 0 380.488 3.596 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000555337916 860489099 /nfs/dbraw/zinc/48/90/99/860489099.db2.gz XJGOSWIUYVKINA-CALCHBBNSA-N 1 0 376.504 3.670 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000509001244 860501856 /nfs/dbraw/zinc/50/18/56/860501856.db2.gz MRDHBBAUEROPGV-GOSISDBHSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCn1cnc2nc(NC3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)[nH]c(=O)c21 ZINC001168039167 860509389 /nfs/dbraw/zinc/50/93/89/860509389.db2.gz BPSCUSAOZAUQSR-HZPDHXFCSA-N 1 0 392.507 3.571 20 30 GHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000509010160 860538146 /nfs/dbraw/zinc/53/81/46/860538146.db2.gz FFPKLEIYOGNPDX-UHFFFAOYSA-N 1 0 392.507 3.753 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624968060 860541887 /nfs/dbraw/zinc/54/18/87/860541887.db2.gz QVNKVHLQERWVDQ-UHFFFAOYSA-N 1 0 395.551 3.602 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000896208600 860543728 /nfs/dbraw/zinc/54/37/28/860543728.db2.gz JPWFYAJRGVNLJJ-UHFFFAOYSA-N 1 0 390.242 3.811 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)CC1 ZINC001170381432 881557006 /nfs/dbraw/zinc/55/70/06/881557006.db2.gz PCTHECLONQEOTE-ZZOCVYOHSA-N 1 0 387.531 3.639 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000624980858 860602129 /nfs/dbraw/zinc/60/21/29/860602129.db2.gz CEECTDRBTCMNOY-UYAOXDASSA-N 1 0 387.572 3.797 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000102845698 860605466 /nfs/dbraw/zinc/60/54/66/860605466.db2.gz KIPQPDVXVZSBRZ-XLIONFOSSA-N 1 0 380.467 3.647 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)CC1 ZINC001170383287 881559339 /nfs/dbraw/zinc/55/93/39/881559339.db2.gz KLDPTGUFACJVJR-SCEDHHNCSA-N 1 0 386.543 3.849 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1OC ZINC000598966686 860694970 /nfs/dbraw/zinc/69/49/70/860694970.db2.gz ZWJZWAYDNSPTJB-VWLOTQADSA-N 1 0 379.909 3.941 20 30 GHEDRO CCOc1cc(C)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000125635554 860730290 /nfs/dbraw/zinc/73/02/90/860730290.db2.gz VTEKMQUAVVRRPI-UHFFFAOYSA-N 1 0 380.492 3.861 20 30 GHEDRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000509065709 860763022 /nfs/dbraw/zinc/76/30/22/860763022.db2.gz SIDZPGFXMDDPLC-FQEVSTJZSA-N 1 0 394.515 3.965 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000156385076 860766642 /nfs/dbraw/zinc/76/66/42/860766642.db2.gz KHUFFCBBZJGNSC-UHFFFAOYSA-N 1 0 393.443 3.527 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000603501157 860770316 /nfs/dbraw/zinc/77/03/16/860770316.db2.gz YYVVQKUZNMIPEE-NRFANRHFSA-N 1 0 378.476 3.916 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c(-c2ccncc2)n1 ZINC000896533360 860880661 /nfs/dbraw/zinc/88/06/61/860880661.db2.gz BAGOXATYAUPDCU-QGZVFWFLSA-N 1 0 392.532 3.770 20 30 GHEDRO Cc1ncc(CO)c(/C=N/CC2CC[NH+](Cc3ccccc3Cl)CC2)c1O ZINC000730147479 860898886 /nfs/dbraw/zinc/89/88/86/860898886.db2.gz OVWSSUDPQHCZNR-FSJBWODESA-N 1 0 387.911 3.572 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC000600080326 860920007 /nfs/dbraw/zinc/92/00/07/860920007.db2.gz FBUBCPDPBGJIAM-UHFFFAOYSA-N 1 0 385.870 3.674 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@H]3c3ccc(F)cc3)CC2)c1 ZINC000600083010 860922566 /nfs/dbraw/zinc/92/25/66/860922566.db2.gz RKKGIOSOHLNVNZ-GOTSBHOMSA-N 1 0 391.490 3.972 20 30 GHEDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701024 860923313 /nfs/dbraw/zinc/92/33/13/860923313.db2.gz AXFLKSAJLWSCHX-DEOSSOPVSA-N 1 0 395.522 3.899 20 30 GHEDRO C[C@@H](CNC(=O)CCN1C(=O)CSc2ccccc21)[NH+]1CCC(C)CC1 ZINC000329009848 860945280 /nfs/dbraw/zinc/94/52/80/860945280.db2.gz DEQSSNNCWARTEQ-INIZCTEOSA-N 1 0 375.538 3.592 20 30 GHEDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cnn1C1CCOCC1 ZINC000329034710 860965234 /nfs/dbraw/zinc/96/52/34/860965234.db2.gz MLEJJYTXQFPMMT-QFBILLFUSA-N 1 0 382.508 3.683 20 30 GHEDRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])Nc3ccccn3)c(C(F)(F)F)c2)n1 ZINC000170911051 860970416 /nfs/dbraw/zinc/97/04/16/860970416.db2.gz SNWQPBORQBESKL-UHFFFAOYSA-N 1 0 388.397 3.830 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000329072462 860993615 /nfs/dbraw/zinc/99/36/15/860993615.db2.gz OFSHKSXUGRSVMW-BVJIBDCISA-N 1 0 399.535 3.940 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1 ZINC000603664218 861016467 /nfs/dbraw/zinc/01/64/67/861016467.db2.gz LTPAGUMSANCLJJ-SFHVURJKSA-N 1 0 377.488 3.628 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000603663774 861017777 /nfs/dbraw/zinc/01/77/77/861017777.db2.gz KFMCFUXQZKVCNH-RBUKOAKNSA-N 1 0 391.515 3.874 20 30 GHEDRO N#CC1(C[C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)CCOCC1 ZINC000599271149 861020617 /nfs/dbraw/zinc/02/06/17/861020617.db2.gz JKTYJGXCXWEXQJ-QFIPXVFZSA-N 1 0 382.479 3.899 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[NH+](C4CCCC4)CC3)cn2)c1 ZINC000603691661 861022504 /nfs/dbraw/zinc/02/25/04/861022504.db2.gz SGYDZACACNIRTP-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000603691635 861023483 /nfs/dbraw/zinc/02/34/83/861023483.db2.gz KXTWLHZOLMDUML-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)CC12CCC2 ZINC000329144869 861064884 /nfs/dbraw/zinc/06/48/84/861064884.db2.gz NIEBFNYSSYMXFV-SFHVURJKSA-N 1 0 383.536 3.778 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000329156103 861077923 /nfs/dbraw/zinc/07/79/23/861077923.db2.gz AXLODMYMPCKJMQ-ZDUSSCGKSA-N 1 0 382.302 3.571 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000599347801 861083197 /nfs/dbraw/zinc/08/31/97/861083197.db2.gz BBXXMYLVJRNOHD-DLBZAZTESA-N 1 0 382.357 3.720 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccccc2)cc1OC ZINC000599349372 861087734 /nfs/dbraw/zinc/08/77/34/861087734.db2.gz NSDFCWMDGYXUML-VQTJNVASSA-N 1 0 380.488 3.632 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000599350139 861089895 /nfs/dbraw/zinc/08/98/95/861089895.db2.gz UNIOCXFJFUFOQI-FOIQADDNSA-N 1 0 381.451 3.783 20 30 GHEDRO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C(=O)NC3CCCCC3)CC1)CC2 ZINC000329177814 861104655 /nfs/dbraw/zinc/10/46/55/861104655.db2.gz NGZVNBSHOYZVHP-NRFANRHFSA-N 1 0 385.552 3.853 20 30 GHEDRO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C(=O)NC3CCCCC3)CC1)CC2 ZINC000329177815 861105106 /nfs/dbraw/zinc/10/51/06/861105106.db2.gz NGZVNBSHOYZVHP-OAQYLSRUSA-N 1 0 385.552 3.853 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)CC1 ZINC000520246999 861106486 /nfs/dbraw/zinc/10/64/86/861106486.db2.gz NFNVCUUIPCPZIQ-UHFFFAOYSA-N 1 0 389.927 3.871 20 30 GHEDRO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000329202769 861137281 /nfs/dbraw/zinc/13/72/81/861137281.db2.gz XCHRPDUTMWWOCU-ACRUOGEOSA-N 1 0 383.536 3.565 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2n2cccn2)cc1OC ZINC000623534209 861145580 /nfs/dbraw/zinc/14/55/80/861145580.db2.gz CQZLJSKJZPBKLO-AOIWGVFYSA-N 1 0 391.899 3.618 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)C1 ZINC000329236336 861182037 /nfs/dbraw/zinc/18/20/37/861182037.db2.gz JKRCJRAPVWYOLT-ZJMJOCHXSA-N 1 0 397.494 3.683 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(Br)cc1F ZINC000599416781 861187078 /nfs/dbraw/zinc/18/70/78/861187078.db2.gz NJVIAIIBTMGANH-DOMZBBRYSA-N 1 0 393.256 3.550 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000171137837 863077096 /nfs/dbraw/zinc/07/70/96/863077096.db2.gz CPNASMRMWRFWFV-UHFFFAOYSA-N 1 0 379.508 3.901 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)cc(OC)c1O ZINC000482490404 863196494 /nfs/dbraw/zinc/19/64/94/863196494.db2.gz NTHMTFSFXSEQDH-KJXAQDMKSA-N 1 0 383.488 3.844 20 30 GHEDRO C[C@@H](C#N)CNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000182418891 863220964 /nfs/dbraw/zinc/22/09/64/863220964.db2.gz HNVYIBSEYLMCGK-SFHVURJKSA-N 1 0 376.504 3.908 20 30 GHEDRO C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000482493844 863221680 /nfs/dbraw/zinc/22/16/80/863221680.db2.gz HTYHEYJJKAHZNS-IBGZPJMESA-N 1 0 391.515 3.839 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)NCC3CCC(C#N)CC3)CC2)cc1 ZINC000281908937 863464858 /nfs/dbraw/zinc/46/48/58/863464858.db2.gz RCLATQIOSVEXBV-UHFFFAOYSA-N 1 0 398.551 3.536 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000593974072 863588320 /nfs/dbraw/zinc/58/83/20/863588320.db2.gz RUVKFLOIWFLYMQ-MRXNPFEDSA-N 1 0 385.458 3.605 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508467648 863659234 /nfs/dbraw/zinc/65/92/34/863659234.db2.gz YYYKFJITWUXYEM-LJQANCHMSA-N 1 0 383.540 3.751 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000594020867 863761558 /nfs/dbraw/zinc/76/15/58/863761558.db2.gz KCSBUEOLLJAAKC-SFHVURJKSA-N 1 0 391.515 3.526 20 30 GHEDRO CCc1cccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccccc2CC)c1 ZINC000172580222 863776115 /nfs/dbraw/zinc/77/61/15/863776115.db2.gz TWGFBTSIAIXHMX-UHFFFAOYSA-O 1 0 393.536 3.883 20 30 GHEDRO CCOc1ccc(CN(C)C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032961 863826028 /nfs/dbraw/zinc/82/60/28/863826028.db2.gz SWBUZAVWYPKVNC-UHFFFAOYSA-N 1 0 377.488 3.584 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000594043934 863887816 /nfs/dbraw/zinc/88/78/16/863887816.db2.gz MYSOEZCXEAFOKM-VQTJNVASSA-N 1 0 375.516 3.717 20 30 GHEDRO Cc1cc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)nn1-c1cccc(C#N)c1 ZINC000480057575 863959954 /nfs/dbraw/zinc/95/99/54/863959954.db2.gz LHINZYZSSSWUCP-UHFFFAOYSA-N 1 0 393.535 3.827 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000120767930 881714242 /nfs/dbraw/zinc/71/42/42/881714242.db2.gz FOBMDCCBROZTJI-UHFFFAOYSA-N 1 0 394.450 3.941 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cn2)c1 ZINC000594065217 864005144 /nfs/dbraw/zinc/00/51/44/864005144.db2.gz RRZKIZCMGIRVKK-VQTJNVASSA-N 1 0 391.475 3.884 20 30 GHEDRO Cc1cccc(C)c1NC(=S)NN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000734362404 864177088 /nfs/dbraw/zinc/17/70/88/864177088.db2.gz OUPUTSDXIRCGQI-QGZVFWFLSA-N 1 0 381.549 3.883 20 30 GHEDRO COc1ccc(NC(=S)NN=C2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000734362913 864177345 /nfs/dbraw/zinc/17/73/45/864177345.db2.gz VAAWUDXYOPSHKY-INIZCTEOSA-N 1 0 382.533 3.880 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1cc(C#N)cs1)CC2 ZINC000896968748 864199292 /nfs/dbraw/zinc/19/92/92/864199292.db2.gz GVFRMCQHMZLZJV-MRXNPFEDSA-N 1 0 391.537 3.516 20 30 GHEDRO CC(C)(CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000480183338 864212032 /nfs/dbraw/zinc/21/20/32/864212032.db2.gz RBBBOKZWIDLONT-UHFFFAOYSA-N 1 0 391.515 3.669 20 30 GHEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000184287433 864319931 /nfs/dbraw/zinc/31/99/31/864319931.db2.gz MKYIYUFQBAALKE-NSHDSACASA-N 1 0 393.119 3.637 20 30 GHEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000262437049 864333300 /nfs/dbraw/zinc/33/33/00/864333300.db2.gz GOSSDODXOITTHT-MRXNPFEDSA-N 1 0 396.516 3.977 20 30 GHEDRO C[C@H](NC(=O)NCCSCc1ccccc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000554468186 864380254 /nfs/dbraw/zinc/38/02/54/864380254.db2.gz LKTWMYSJPBDLCU-UWJYYQICSA-N 1 0 396.560 3.782 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000131072023 864396916 /nfs/dbraw/zinc/39/69/16/864396916.db2.gz UNSCMPADEGWJBT-UHFFFAOYSA-N 1 0 399.498 3.986 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734843263 864472601 /nfs/dbraw/zinc/47/26/01/864472601.db2.gz IJNZRILSCQUBCF-CCKFTAQKSA-N 1 0 378.394 3.602 20 30 GHEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000480386215 864595513 /nfs/dbraw/zinc/59/55/13/864595513.db2.gz LIODTJKLDHMTFB-VGOFRKELSA-N 1 0 393.535 3.640 20 30 GHEDRO N#CCC1CCN(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000898799366 864643202 /nfs/dbraw/zinc/64/32/02/864643202.db2.gz CWKDAVZIFTYCIV-UHFFFAOYSA-N 1 0 376.504 3.701 20 30 GHEDRO N#Cc1ccc(NCC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000138590520 864669421 /nfs/dbraw/zinc/66/94/21/864669421.db2.gz JSFGNCKNECIRHQ-FQEVSTJZSA-N 1 0 382.895 3.577 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186323596 864791205 /nfs/dbraw/zinc/79/12/05/864791205.db2.gz VOQQEIAPNAPOLB-DVECYGJZSA-N 1 0 376.548 3.804 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000583665897 864952088 /nfs/dbraw/zinc/95/20/88/864952088.db2.gz SMKJPMSKPKPIRU-YGRLFVJLSA-N 1 0 390.119 3.677 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Oc3ccccc3)nc2)CC1 ZINC000171558083 865293565 /nfs/dbraw/zinc/29/35/65/865293565.db2.gz JUKQRGLHJNTCNU-UHFFFAOYSA-N 1 0 380.492 3.714 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000480848448 865390750 /nfs/dbraw/zinc/39/07/50/865390750.db2.gz WXFDTHBEVOORBJ-LJQANCHMSA-N 1 0 398.551 3.887 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000594230851 865487620 /nfs/dbraw/zinc/48/76/20/865487620.db2.gz SYJIZGZPQFSFOM-LJQANCHMSA-N 1 0 390.531 3.513 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)ccc1OC ZINC000174387127 865794696 /nfs/dbraw/zinc/79/46/96/865794696.db2.gz ZQIVMXOMERWNGZ-IBGZPJMESA-N 1 0 391.475 3.555 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000739856357 865803118 /nfs/dbraw/zinc/80/31/18/865803118.db2.gz GVZAIPPCZXHNEV-UHFFFAOYSA-N 1 0 375.451 3.929 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000481097456 865805541 /nfs/dbraw/zinc/80/55/41/865805541.db2.gz YFYUIUJSSMAVPY-BEFAXECRSA-N 1 0 388.556 3.756 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000608901511 865805868 /nfs/dbraw/zinc/80/58/68/865805868.db2.gz YNHYSKCZBQMHKR-UHFFFAOYSA-N 1 0 395.422 3.970 20 30 GHEDRO COC(=O)[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000739991666 865820418 /nfs/dbraw/zinc/82/04/18/865820418.db2.gz YXUBNMVJCKIJGQ-QFIPXVFZSA-N 1 0 377.488 3.913 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000609046449 865921105 /nfs/dbraw/zinc/92/11/05/865921105.db2.gz CPOBDETZJRPYET-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000740483953 865928495 /nfs/dbraw/zinc/92/84/95/865928495.db2.gz FRXCOKKXYVBKCQ-GOSISDBHSA-N 1 0 380.517 3.665 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000740738562 865976612 /nfs/dbraw/zinc/97/66/12/865976612.db2.gz HETGDYAYDUHHEO-UHFFFAOYSA-N 1 0 390.487 3.548 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)C[C@@H](CC#N)c3ccccc3)CC2)c1 ZINC000793129061 881936159 /nfs/dbraw/zinc/93/61/59/881936159.db2.gz NWSKZZZULAUMMC-OAQYLSRUSA-N 1 0 391.515 3.863 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000121127497 881938406 /nfs/dbraw/zinc/93/84/06/881938406.db2.gz DPYFNMYGCUDESA-IBGZPJMESA-N 1 0 398.551 3.600 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)[C@@H](C)Oc3ccccc3C#N)CC[N@@H+]2C)cc1 ZINC000741121109 866244197 /nfs/dbraw/zinc/24/41/97/866244197.db2.gz RTRONBLWIQXIIK-GTCCEBARSA-N 1 0 394.471 3.570 20 30 GHEDRO CC(C)[C@@H](CO)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000494576103 881966959 /nfs/dbraw/zinc/96/69/59/881966959.db2.gz AYBICFMUGDNVRR-HXUWFJFHSA-N 1 0 376.460 3.627 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)sc2c1CCC2 ZINC000186618867 866378656 /nfs/dbraw/zinc/37/86/56/866378656.db2.gz SFKZTQTXEYIRNQ-QFIPXVFZSA-N 1 0 393.512 3.568 20 30 GHEDRO CCc1noc(-c2ccc(CCNC(=[NH2+])Nc3ccc(OC)c(Cl)c3)cc2)n1 ZINC000303969299 866428951 /nfs/dbraw/zinc/42/89/51/866428951.db2.gz BQJBXOVZXBQLMB-UHFFFAOYSA-N 1 0 399.882 3.930 20 30 GHEDRO O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc2c[nH+]cn2c1 ZINC000793180557 881992697 /nfs/dbraw/zinc/99/26/97/881992697.db2.gz NBOCTNAIKISHRY-UHFFFAOYSA-N 1 0 376.203 3.662 20 30 GHEDRO C=C(C)[C@@H](CC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)OCC ZINC000534427291 866740175 /nfs/dbraw/zinc/74/01/75/866740175.db2.gz ZUBRCEPFGOMGPF-DYESRHJHSA-N 1 0 391.531 3.516 20 30 GHEDRO CCC(CC)n1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1C ZINC000183572882 866856328 /nfs/dbraw/zinc/85/63/28/866856328.db2.gz ZUZHHRPSGPPZGU-UHFFFAOYSA-N 1 0 381.524 3.628 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000183594898 866891904 /nfs/dbraw/zinc/89/19/04/866891904.db2.gz JEWGWZKACKNSBS-AWEZNQCLSA-N 1 0 379.851 3.687 20 30 GHEDRO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCCCC(C)(C)C#N ZINC000444597900 866960379 /nfs/dbraw/zinc/96/03/79/866960379.db2.gz SJACIHQLIVPEPX-SFHVURJKSA-N 1 0 388.508 3.886 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000508834781 867016913 /nfs/dbraw/zinc/01/69/13/867016913.db2.gz WHTJOTNMLKGWMH-UHFFFAOYSA-N 1 0 383.521 3.670 20 30 GHEDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)cc1 ZINC000444668520 867038699 /nfs/dbraw/zinc/03/86/99/867038699.db2.gz VBCPLORNZFHHFZ-LJQANCHMSA-N 1 0 391.581 3.705 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cn2)CC1 ZINC000021131663 867042277 /nfs/dbraw/zinc/04/22/77/867042277.db2.gz QDOKCLXURVKOPH-UHFFFAOYSA-N 1 0 397.482 3.624 20 30 GHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508507672 867196475 /nfs/dbraw/zinc/19/64/75/867196475.db2.gz IWTILROPOBALNM-UHFFFAOYSA-N 1 0 395.551 3.518 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CCC)CC1 ZINC000508835390 867201743 /nfs/dbraw/zinc/20/17/43/867201743.db2.gz ZKXVJFYPTNJUNF-UHFFFAOYSA-N 1 0 376.508 3.520 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)CC1 ZINC000742355302 867229568 /nfs/dbraw/zinc/22/95/68/867229568.db2.gz JDLKOPIGEAJUKO-UHFFFAOYSA-N 1 0 376.500 3.569 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C#N ZINC000742367561 867240706 /nfs/dbraw/zinc/24/07/06/867240706.db2.gz YQZBMFICHLOCST-HZPDHXFCSA-N 1 0 383.467 3.609 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)cc(OC)c1OC ZINC000742370343 867266375 /nfs/dbraw/zinc/26/63/75/867266375.db2.gz MKVLXNSVFQWIKZ-UHFFFAOYSA-N 1 0 378.476 3.611 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000444884807 867398897 /nfs/dbraw/zinc/39/88/97/867398897.db2.gz YSHXQLPJNWUKLF-UHFFFAOYSA-N 1 0 390.915 3.568 20 30 GHEDRO N#CC1(NC(=O)CCSc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479306285 867512941 /nfs/dbraw/zinc/51/29/41/867512941.db2.gz KBYUQAPVGSHQGV-UHFFFAOYSA-N 1 0 397.519 3.982 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3Oc3ccccc3C#N)CC[C@H]21 ZINC000245560565 867515222 /nfs/dbraw/zinc/51/52/22/867515222.db2.gz WQXXVEILSNFSDZ-AZUAARDMSA-N 1 0 375.472 3.907 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](C)Oc2ccccc2Br)ccc1C#N ZINC000440637349 867690238 /nfs/dbraw/zinc/69/02/38/867690238.db2.gz LWORXAVZVJQUQH-CYBMUJFWSA-N 1 0 375.266 3.886 20 30 GHEDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000428776206 867859050 /nfs/dbraw/zinc/85/90/50/867859050.db2.gz DFHRWEGNQMMZGP-FQEVSTJZSA-N 1 0 399.288 3.637 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000743152289 867880623 /nfs/dbraw/zinc/88/06/23/867880623.db2.gz REZSLNWFGHREQN-FQEVSTJZSA-N 1 0 377.488 3.684 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000743203099 867925479 /nfs/dbraw/zinc/92/54/79/867925479.db2.gz VIQOQUVUHSNUHB-CALCHBBNSA-N 1 0 375.488 3.717 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479537178 867969651 /nfs/dbraw/zinc/96/96/51/867969651.db2.gz NSJDATSEMSQURO-FQEVSTJZSA-N 1 0 384.568 3.526 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857256738 882148032 /nfs/dbraw/zinc/14/80/32/882148032.db2.gz MVBOGNPYFNNVFV-HXUWFJFHSA-N 1 0 382.504 3.800 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000155717369 868052673 /nfs/dbraw/zinc/05/26/73/868052673.db2.gz AIUKMDHQMAUROD-QGZVFWFLSA-N 1 0 377.916 3.543 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@@H](C[N@@H+](C)CC)C2)c1=S ZINC000743399742 868159963 /nfs/dbraw/zinc/15/99/63/868159963.db2.gz XCRRLUHNFFPIFD-INIZCTEOSA-N 1 0 389.544 3.637 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000155951271 868196011 /nfs/dbraw/zinc/19/60/11/868196011.db2.gz PJNYNQZWYDGFFQ-SFTDATJTSA-N 1 0 377.573 3.532 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc(COc3cccc(F)c3)c2)CC1 ZINC000743493065 868237222 /nfs/dbraw/zinc/23/72/22/868237222.db2.gz GMWPGJNKOQUJBZ-UHFFFAOYSA-N 1 0 380.463 3.622 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 ZINC000743491336 868237855 /nfs/dbraw/zinc/23/78/55/868237855.db2.gz FQRFCQRZRINMDF-UHFFFAOYSA-N 1 0 384.426 3.975 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000669811283 868655075 /nfs/dbraw/zinc/65/50/75/868655075.db2.gz XQFBQISOEDZHJX-SFHVURJKSA-N 1 0 390.535 3.925 20 30 GHEDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000091918618 882214119 /nfs/dbraw/zinc/21/41/19/882214119.db2.gz JBCLFXRZBNAEBR-KRWDZBQOSA-N 1 0 393.487 3.837 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1OC ZINC000479905093 868687079 /nfs/dbraw/zinc/68/70/79/868687079.db2.gz WOUMAEROZWULIT-VUCTXSBTSA-N 1 0 375.538 3.619 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cccc(Cl)c1 ZINC000128349846 868803627 /nfs/dbraw/zinc/80/36/27/868803627.db2.gz VFRKQWZPFMSCFM-OALUTQOASA-N 1 0 385.899 3.557 20 30 GHEDRO CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190605317 882231944 /nfs/dbraw/zinc/23/19/44/882231944.db2.gz OGRPSAWWKZSRBK-UZLBHIALSA-N 1 0 379.529 3.602 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508850375 869069861 /nfs/dbraw/zinc/06/98/61/869069861.db2.gz UUVPUOZVFIXUAF-DYESRHJHSA-N 1 0 385.508 3.551 20 30 GHEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000539423149 869102625 /nfs/dbraw/zinc/10/26/25/869102625.db2.gz CIFFSOQQMZFZIC-UAOJZALGSA-N 1 0 388.920 3.972 20 30 GHEDRO Cc1cc(NC(=O)c2cccc(CC#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190792255 882272413 /nfs/dbraw/zinc/27/24/13/882272413.db2.gz BEVPRWOYXWXNGR-UHFFFAOYSA-N 1 0 376.504 3.844 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000151528638 869198865 /nfs/dbraw/zinc/19/88/65/869198865.db2.gz UEAMYBWATRXTEH-QGZVFWFLSA-N 1 0 382.479 3.650 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 ZINC000539496233 869219914 /nfs/dbraw/zinc/21/99/14/869219914.db2.gz JJOTVHFQMJTKCQ-HOCLYGCPSA-N 1 0 378.394 3.959 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000524549067 869239337 /nfs/dbraw/zinc/23/93/37/869239337.db2.gz KAGRNUVNIYNWSQ-MOPGFXCFSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCC[C@@H](O)CN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428789140 869309849 /nfs/dbraw/zinc/30/98/49/869309849.db2.gz OBYLUVVNOJBURU-DNQXCXABSA-N 1 0 379.548 3.875 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2=O)ccc1Br ZINC000462375103 869319284 /nfs/dbraw/zinc/31/92/84/869319284.db2.gz AOAXLULPJIIRLB-SFHVURJKSA-N 1 0 384.277 3.524 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O)C(C)C ZINC000539713919 869655959 /nfs/dbraw/zinc/65/59/59/869655959.db2.gz MBALHRWUXBEFMW-ITBHCLRTSA-N 1 0 391.600 3.656 20 30 GHEDRO Cc1cc(N2CCN(c3cc(C#N)ccn3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000524843997 869666175 /nfs/dbraw/zinc/66/61/75/869666175.db2.gz CTXTVZJUJFWWHA-UHFFFAOYSA-N 1 0 395.413 3.738 20 30 GHEDRO CSc1ccc(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000524850381 869673557 /nfs/dbraw/zinc/67/35/57/869673557.db2.gz JXJHEOZYVVHJJN-KRWDZBQOSA-N 1 0 397.544 3.638 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000524892691 869711524 /nfs/dbraw/zinc/71/15/24/869711524.db2.gz JMUFIYOLPXZKDD-SFTDATJTSA-N 1 0 383.536 3.624 20 30 GHEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000595044193 869802749 /nfs/dbraw/zinc/80/27/49/869802749.db2.gz MCOKLZOXBMXJQH-LEWJYISDSA-N 1 0 381.907 3.923 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000092453066 882361775 /nfs/dbraw/zinc/36/17/75/882361775.db2.gz NSMDMXSQFBYANR-QGZVFWFLSA-N 1 0 397.906 3.979 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262574835 870238096 /nfs/dbraw/zinc/23/80/96/870238096.db2.gz ZWULMNXMSZPLTC-LPHOPBHVSA-N 1 0 398.938 3.903 20 30 GHEDRO CCN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000152232437 870422366 /nfs/dbraw/zinc/42/23/66/870422366.db2.gz RIIUAQCTHNETMI-UHFFFAOYSA-N 1 0 376.504 3.514 20 30 GHEDRO CN(C(=O)NCc1cc(C#N)ccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746422412 870649752 /nfs/dbraw/zinc/64/97/52/870649752.db2.gz WFJAOFKZYYIJAG-HXUWFJFHSA-N 1 0 380.467 3.503 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)c(Br)c1 ZINC001168794075 870760625 /nfs/dbraw/zinc/76/06/25/870760625.db2.gz ZIGKZPKKQPFSIS-SGTLLEGYSA-N 1 0 375.266 3.714 20 30 GHEDRO CCC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC001192909451 870764698 /nfs/dbraw/zinc/76/46/98/870764698.db2.gz JZFFJKPVYICUJH-QGZVFWFLSA-N 1 0 380.414 3.792 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001192926777 870791187 /nfs/dbraw/zinc/79/11/87/870791187.db2.gz PQUVRGAMUDJEEZ-UNMCSNQZSA-N 1 0 397.604 3.506 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001192927364 870792162 /nfs/dbraw/zinc/79/21/62/870792162.db2.gz LSZUKKXQXGYEMW-SFHVURJKSA-N 1 0 377.577 3.998 20 30 GHEDRO CCc1ccc([C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000181388330 870958869 /nfs/dbraw/zinc/95/88/69/870958869.db2.gz BAEKXIZSZUDYND-VWLOTQADSA-N 1 0 390.575 3.978 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000538960130 870982561 /nfs/dbraw/zinc/98/25/61/870982561.db2.gz SSWRAFBEGGKFIC-UHFFFAOYSA-N 1 0 393.318 3.949 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429716228 871037428 /nfs/dbraw/zinc/03/74/28/871037428.db2.gz KBYZKIABEKLPLB-IBGZPJMESA-N 1 0 393.535 3.706 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(OC)c2)cc1 ZINC000540332263 871038476 /nfs/dbraw/zinc/03/84/76/871038476.db2.gz FNLPXHXGLRVQGU-QGZVFWFLSA-N 1 0 381.476 3.691 20 30 GHEDRO C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181478206 871052823 /nfs/dbraw/zinc/05/28/23/871052823.db2.gz YRVKFOBHQVUIQZ-GBXCKJPGSA-N 1 0 392.547 3.618 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000540378316 871114968 /nfs/dbraw/zinc/11/49/68/871114968.db2.gz FLBOPRNMVWHHCP-OALUTQOASA-N 1 0 390.325 3.688 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441220645 871144203 /nfs/dbraw/zinc/14/42/03/871144203.db2.gz AZRSBYIEDBGGLO-MOPGFXCFSA-N 1 0 398.551 3.779 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(c2ccc(N(C)C)cc2)[C@H](C)c2ccccn2)CC1 ZINC000766587604 871200600 /nfs/dbraw/zinc/20/06/00/871200600.db2.gz QLXNGNXAIKULGY-LJQANCHMSA-N 1 0 390.531 3.587 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000191485310 882486953 /nfs/dbraw/zinc/48/69/53/882486953.db2.gz BGEFOYYQDQWBJU-NRFANRHFSA-N 1 0 386.584 3.932 20 30 GHEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000463237894 871232288 /nfs/dbraw/zinc/23/22/88/871232288.db2.gz QTJRIHNHDPSLQG-LPHOPBHVSA-N 1 0 387.480 3.798 20 30 GHEDRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000181598558 871243719 /nfs/dbraw/zinc/24/37/19/871243719.db2.gz VUPDERXWGCOJMB-FQEVSTJZSA-N 1 0 388.559 3.559 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000540427130 871257729 /nfs/dbraw/zinc/25/77/29/871257729.db2.gz RIRSZXGXZYGDRF-OAQYLSRUSA-N 1 0 386.492 3.992 20 30 GHEDRO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C2CC(OCc3ccccc3)C2)CC1 ZINC001169197136 871287657 /nfs/dbraw/zinc/28/76/57/871287657.db2.gz KQOMLIASAKBTTB-VNXZQDSDSA-N 1 0 379.479 3.756 20 30 GHEDRO COc1cc(OC)cc(C2(F)CC[NH+](C[C@@H](O)c3cccc(C#N)c3)CC2)c1 ZINC001193807707 871320429 /nfs/dbraw/zinc/32/04/29/871320429.db2.gz MIBLBVRQNFSLDE-OAQYLSRUSA-N 1 0 384.451 3.570 20 30 GHEDRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC001169262516 871327213 /nfs/dbraw/zinc/32/72/13/871327213.db2.gz YLSMDXMUHFVFGP-LBPRGKRZSA-N 1 0 395.290 3.965 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N2CCCC2)o1 ZINC000181648414 871332343 /nfs/dbraw/zinc/33/23/43/871332343.db2.gz GVGZNEAHUBHQIM-QHCPKHFHSA-N 1 0 392.547 3.851 20 30 GHEDRO CCC[C@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000540522012 871484779 /nfs/dbraw/zinc/48/47/79/871484779.db2.gz YRKMLIRFJKRTOO-FQEVSTJZSA-N 1 0 396.560 3.935 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000462037650 871488910 /nfs/dbraw/zinc/48/89/10/871488910.db2.gz SIUOPQMGQSIRJW-UHFFFAOYSA-N 1 0 377.532 3.722 20 30 GHEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000540526537 871495026 /nfs/dbraw/zinc/49/50/26/871495026.db2.gz QEKCXWVOSUBSJA-XMCHAPAWSA-N 1 0 388.920 3.972 20 30 GHEDRO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001169484194 871536134 /nfs/dbraw/zinc/53/61/34/871536134.db2.gz JBIBMTQUQOJYHC-OAHLLOKOSA-N 1 0 377.916 3.702 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462061624 871540381 /nfs/dbraw/zinc/54/03/81/871540381.db2.gz QQXKNGDYMQFQSK-CYBMUJFWSA-N 1 0 383.305 3.848 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OC(C)C ZINC000539252431 871561121 /nfs/dbraw/zinc/56/11/21/871561121.db2.gz DYBHHNSPWBQFDF-CKJXQJPGSA-N 1 0 375.513 3.576 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000181892018 871586232 /nfs/dbraw/zinc/58/62/32/871586232.db2.gz QKJUUYKHWQVQNQ-CJFMBICVSA-N 1 0 388.559 3.775 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000525861095 871596653 /nfs/dbraw/zinc/59/66/53/871596653.db2.gz WTDDGELQHUIMIB-UHFFFAOYSA-N 1 0 376.504 3.902 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000115567598 882527728 /nfs/dbraw/zinc/52/77/28/882527728.db2.gz AVEAHXVOSDAACG-IRQNMHNUSA-N 1 0 396.579 3.827 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000667225035 871631280 /nfs/dbraw/zinc/63/12/80/871631280.db2.gz YWRIDEHXBKQALH-CQSZACIVSA-N 1 0 382.302 3.572 20 30 GHEDRO COC(=O)COc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000540598352 871664513 /nfs/dbraw/zinc/66/45/13/871664513.db2.gz XYUIYGDULLIQAQ-UHFFFAOYSA-N 1 0 378.472 3.732 20 30 GHEDRO N#CCCN(C(=O)C[NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(Cl)c1 ZINC000539334667 871718896 /nfs/dbraw/zinc/71/88/96/871718896.db2.gz DKZNOTMHRXYPRR-UHFFFAOYSA-N 1 0 397.862 3.594 20 30 GHEDRO OC[C@]1([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CCCc2ccccc21 ZINC001169657893 871725655 /nfs/dbraw/zinc/72/56/55/871725655.db2.gz ZFYGOPCLNKBAJX-HXUWFJFHSA-N 1 0 375.390 3.750 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121359739 871725826 /nfs/dbraw/zinc/72/58/26/871725826.db2.gz XOTKAXDUNQNDHF-AWEZNQCLSA-N 1 0 387.461 3.609 20 30 GHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc21 ZINC000447515701 871732838 /nfs/dbraw/zinc/73/28/38/871732838.db2.gz LMOAABZYIZMCIC-UHFFFAOYSA-N 1 0 399.454 3.982 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528996 871761098 /nfs/dbraw/zinc/76/10/98/871761098.db2.gz KMVLTPGIKRTIMV-QZTJIDSGSA-N 1 0 385.493 3.670 20 30 GHEDRO OC[C@]1(c2ccccc2)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000463456016 871797407 /nfs/dbraw/zinc/79/74/07/871797407.db2.gz QIQKNIMNTOWBMZ-FQEVSTJZSA-N 1 0 375.390 3.573 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000022687558 871908397 /nfs/dbraw/zinc/90/83/97/871908397.db2.gz UIWRLLBWBRXSKN-UHFFFAOYSA-O 1 0 382.553 3.523 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000540707420 871946107 /nfs/dbraw/zinc/94/61/07/871946107.db2.gz AFDBOJFUINCCDL-YWZLYKJASA-N 1 0 383.467 3.966 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C#CBr)cc1 ZINC001194828210 871975248 /nfs/dbraw/zinc/97/52/48/871975248.db2.gz WSVPTZYOZJTFGK-QGZVFWFLSA-N 1 0 375.310 3.527 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618797017 872005331 /nfs/dbraw/zinc/00/53/31/872005331.db2.gz XJWWKAHWXWTTNY-JOCHJYFZSA-N 1 0 376.504 3.887 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618827510 872031898 /nfs/dbraw/zinc/03/18/98/872031898.db2.gz KULKTJFXWBTBPJ-LXBDKUERSA-N 1 0 388.515 3.755 20 30 GHEDRO COc1ccc(C[N@H+](CCc2ccccn2)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC001169952974 872051023 /nfs/dbraw/zinc/05/10/23/872051023.db2.gz NGJXRCYBUWSJAR-XMMPIXPASA-N 1 0 387.483 3.740 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618841879 872053112 /nfs/dbraw/zinc/05/31/12/872053112.db2.gz COHGNIGNGXMFKO-HSZRJFAPSA-N 1 0 388.515 3.852 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000775625714 872058005 /nfs/dbraw/zinc/05/80/05/872058005.db2.gz GKUFFZQKILWIAE-QZTJIDSGSA-N 1 0 390.524 3.968 20 30 GHEDRO CCN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618849114 872071112 /nfs/dbraw/zinc/07/11/12/872071112.db2.gz MIKPHINDWJEAMG-GMAHTHKFSA-N 1 0 388.515 3.852 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618849011 872071647 /nfs/dbraw/zinc/07/16/47/872071647.db2.gz LIIYZGUJERGJJC-NFBKMPQASA-N 1 0 388.515 3.709 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000526085937 872077675 /nfs/dbraw/zinc/07/76/75/872077675.db2.gz IIFGGYPQTCFSMZ-UHFFFAOYSA-N 1 0 379.489 3.885 20 30 GHEDRO Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)s2)cs1 ZINC000552123462 872097266 /nfs/dbraw/zinc/09/72/66/872097266.db2.gz ZGLBMKSPXFLZCY-OAHLLOKOSA-N 1 0 385.514 3.581 20 30 GHEDRO CC1(C)CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@@H]1C#N ZINC000552191346 872219870 /nfs/dbraw/zinc/21/98/70/872219870.db2.gz AQBAUOIRWGFIPS-QZTJIDSGSA-N 1 0 375.463 3.685 20 30 GHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000763521288 872235361 /nfs/dbraw/zinc/23/53/61/872235361.db2.gz RFROOWLGYSLEGD-DQYZRLQBSA-N 1 0 397.563 3.776 20 30 GHEDRO N#Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C(F)(F)F ZINC000463667965 872292230 /nfs/dbraw/zinc/29/22/30/872292230.db2.gz ZJPRVKXMASOQFN-UHFFFAOYSA-N 1 0 389.425 3.596 20 30 GHEDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000619107311 872293477 /nfs/dbraw/zinc/29/34/77/872293477.db2.gz WDTOUYORNZYWML-UHFFFAOYSA-N 1 0 376.416 3.536 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000101905055 872357299 /nfs/dbraw/zinc/35/72/99/872357299.db2.gz HVPJKBXVXLBLHM-KRWDZBQOSA-N 1 0 386.565 3.756 20 30 GHEDRO COCCCC[N@H+](Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000619154010 872360397 /nfs/dbraw/zinc/36/03/97/872360397.db2.gz NOGHPXMOMOFGNQ-QHCPKHFHSA-N 1 0 391.515 3.982 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCN3CCc4c(Cl)cccc4C3)CC2)cc1 ZINC000552281646 872385354 /nfs/dbraw/zinc/38/53/54/872385354.db2.gz FGJGHPACHRAWEB-UHFFFAOYSA-N 1 0 394.950 3.828 20 30 GHEDRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)c1cc(C)cc(C#N)c1 ZINC001195429459 872417811 /nfs/dbraw/zinc/41/78/11/872417811.db2.gz MHSBGJOJZGVTPE-UHFFFAOYSA-N 1 0 392.503 3.658 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cnccn2)cc1OCC ZINC000526988184 872428372 /nfs/dbraw/zinc/42/83/72/872428372.db2.gz BTXAYQIZSVSJTQ-UHFFFAOYSA-N 1 0 392.297 3.535 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000767378233 872430302 /nfs/dbraw/zinc/43/03/02/872430302.db2.gz HAYHNARHDCEAQG-HNNXBMFYSA-N 1 0 376.781 3.544 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccn(CCC#N)n2)CCCC1)c1ccccc1 ZINC000173374545 882614574 /nfs/dbraw/zinc/61/45/74/882614574.db2.gz RUPCPAUIHQCDRE-QGZVFWFLSA-N 1 0 380.496 3.582 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000191790889 882616326 /nfs/dbraw/zinc/61/63/26/882616326.db2.gz UTCAHJDALCBMPQ-UHFFFAOYSA-N 1 0 398.492 3.651 20 30 GHEDRO C#Cc1cccc(NC(=S)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000767412319 872475670 /nfs/dbraw/zinc/47/56/70/872475670.db2.gz PSVARDGXXYHQHC-UHFFFAOYSA-N 1 0 380.517 3.675 20 30 GHEDRO C=C(C)CN1CCC([NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000463743654 872484487 /nfs/dbraw/zinc/48/44/87/872484487.db2.gz IBLRCXYHAXLKPG-UHFFFAOYSA-N 1 0 382.552 3.687 20 30 GHEDRO C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001195729111 872580446 /nfs/dbraw/zinc/58/04/46/872580446.db2.gz MUZFHOQOZJIMNW-KZNAEPCWSA-N 1 0 378.476 3.950 20 30 GHEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2cccc(CC#N)c2)c2ccccc2)CC1 ZINC000619478098 872673603 /nfs/dbraw/zinc/67/36/03/872673603.db2.gz GPOOKYWNANHTBT-QFIPXVFZSA-N 1 0 397.544 3.504 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000619483071 872681279 /nfs/dbraw/zinc/68/12/79/872681279.db2.gz LWGTZOSTUBMDCP-NQIIRXRSSA-N 1 0 399.560 3.796 20 30 GHEDRO C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCCc4cc(C#N)ccc43)nc2)C1 ZINC000619508608 872695876 /nfs/dbraw/zinc/69/58/76/872695876.db2.gz OKYHOKZECDMEMQ-IRLDBZIGSA-N 1 0 375.520 3.973 20 30 GHEDRO C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCCc4cc(C#N)ccc43)nc2)C1 ZINC000619508609 872696065 /nfs/dbraw/zinc/69/60/65/872696065.db2.gz OKYHOKZECDMEMQ-RBBKRZOGSA-N 1 0 375.520 3.973 20 30 GHEDRO C=CCCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000665943350 872698280 /nfs/dbraw/zinc/69/82/80/872698280.db2.gz RWLNXOOFAWOCPD-UHFFFAOYSA-N 1 0 380.330 3.631 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)c(OCc2cccnc2)c1 ZINC000767687361 872768895 /nfs/dbraw/zinc/76/88/95/872768895.db2.gz RSOLKARYBRUXIC-UHFFFAOYSA-N 1 0 389.455 3.839 20 30 GHEDRO CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC001195986851 872785033 /nfs/dbraw/zinc/78/50/33/872785033.db2.gz TZDAGBFHFHIXFX-JOCHJYFZSA-N 1 0 382.529 3.819 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4c[nH]c5ncccc45)CC3)C2=O)cc1 ZINC000182876937 872887132 /nfs/dbraw/zinc/88/71/32/872887132.db2.gz RPSJQJZVLZQXJR-QFIPXVFZSA-N 1 0 399.498 3.810 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541087539 872895508 /nfs/dbraw/zinc/89/55/08/872895508.db2.gz VAEJUUPHNFAUJC-JLHGSKIFSA-N 1 0 377.488 3.560 20 30 GHEDRO N#CC1(CCCC[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CCC1 ZINC001196113159 872901601 /nfs/dbraw/zinc/90/16/01/872901601.db2.gz BCCBCPXJOGMMMP-LJQANCHMSA-N 1 0 375.538 3.757 20 30 GHEDRO C=CCN(CCOC)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000478374405 872916140 /nfs/dbraw/zinc/91/61/40/872916140.db2.gz HLSWGKQRPQCZAJ-UHFFFAOYSA-N 1 0 381.520 3.759 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3ccc(F)cn3)CC2)cc1Cl ZINC001196263127 872976639 /nfs/dbraw/zinc/97/66/39/872976639.db2.gz NFNBVRRNTONGJL-UHFFFAOYSA-N 1 0 386.858 3.954 20 30 GHEDRO C[C@H](NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1)c1cccs1 ZINC000102387774 872988538 /nfs/dbraw/zinc/98/85/38/872988538.db2.gz FIVQUGPDFRWMGC-HNNXBMFYSA-O 1 0 397.545 3.818 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC001196311354 873005231 /nfs/dbraw/zinc/00/52/31/873005231.db2.gz GIYLODRQHZLVAN-OAQYLSRUSA-N 1 0 376.529 3.950 20 30 GHEDRO C[N@H+](Cc1ccccc1F)C1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC001196312632 873005806 /nfs/dbraw/zinc/00/58/06/873005806.db2.gz CBAYPQWVNGFMOO-UHFFFAOYSA-N 1 0 382.508 3.991 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCN(C)C2)cc1OCC ZINC000619771256 873010614 /nfs/dbraw/zinc/01/06/14/873010614.db2.gz WVLNUYUEHMIKIS-HNNXBMFYSA-N 1 0 383.330 3.596 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000527323987 873010883 /nfs/dbraw/zinc/01/08/83/873010883.db2.gz MWWAWFXGSHKIGZ-LEOMRAHMSA-N 1 0 384.505 3.741 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=S)Nc3ccccc3C#N)cc2)CC1 ZINC001196320176 873030751 /nfs/dbraw/zinc/03/07/51/873030751.db2.gz KKMGMJVIBKLCQJ-UHFFFAOYSA-N 1 0 379.533 3.505 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000619825867 873058996 /nfs/dbraw/zinc/05/89/96/873058996.db2.gz CBFCGNUJTSQPQF-SFHVURJKSA-N 1 0 391.302 3.967 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000619848802 873074723 /nfs/dbraw/zinc/07/47/23/873074723.db2.gz YSRRXODGEBWPHU-HXUWFJFHSA-N 1 0 378.524 3.537 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000448371079 873282160 /nfs/dbraw/zinc/28/21/60/873282160.db2.gz LRORVJPBBGNGSS-OAQYLSRUSA-N 1 0 390.531 3.971 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001196798207 873367226 /nfs/dbraw/zinc/36/72/26/873367226.db2.gz HVMXGQXSBGZNTL-QHCPKHFHSA-N 1 0 380.532 3.710 20 30 GHEDRO CCc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)ccc1C#N ZINC001197292014 873718166 /nfs/dbraw/zinc/71/81/66/873718166.db2.gz FSDJUGHNHBQWLM-UHFFFAOYSA-N 1 0 379.479 3.996 20 30 GHEDRO Cc1ccc2c(c1)CCC2=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000921255680 882754820 /nfs/dbraw/zinc/75/48/20/882754820.db2.gz YUTBHSXGFHMMAO-UHFFFAOYSA-N 1 0 392.572 3.774 20 30 GHEDRO N#Cc1ccc(-c2ccc(C(=O)N[C@@H]3[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)o2)cc1 ZINC001197400920 873770128 /nfs/dbraw/zinc/77/01/28/873770128.db2.gz CEBFOIXUTHNRSB-NPHXMPSESA-N 1 0 383.451 3.678 20 30 GHEDRO Cc1oc2ccccc2c1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000464436727 873841348 /nfs/dbraw/zinc/84/13/48/873841348.db2.gz LKUBJVCZENYIBA-UHFFFAOYSA-N 1 0 375.472 3.746 20 30 GHEDRO COC(=O)C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CCCCC1 ZINC000541600461 873920245 /nfs/dbraw/zinc/92/02/45/873920245.db2.gz IMJBDKKOGOPXMX-OAQYLSRUSA-N 1 0 399.535 3.652 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001197707689 873993464 /nfs/dbraw/zinc/99/34/64/873993464.db2.gz ZQEKYSNOCMLRPZ-UXHICEINSA-N 1 0 376.529 3.709 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448822219 874017761 /nfs/dbraw/zinc/01/77/61/874017761.db2.gz JYQSMOBUJHPAQP-IJEWVQPXSA-N 1 0 390.325 3.798 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](c3ncc(Br)cn3)C2)ccc1F ZINC001197748540 874023757 /nfs/dbraw/zinc/02/37/57/874023757.db2.gz HZYULETZRDBBQT-ZDUSSCGKSA-N 1 0 375.245 3.629 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000541637010 874026951 /nfs/dbraw/zinc/02/69/51/874026951.db2.gz MMGCYVRPRYIPJH-HUUCEWRRSA-N 1 0 389.421 3.975 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)cc1 ZINC000769420946 874036562 /nfs/dbraw/zinc/03/65/62/874036562.db2.gz UKXXZFWYTUAEBY-WBVHZDCISA-N 1 0 392.421 3.937 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CCCCC1 ZINC001198085589 874205223 /nfs/dbraw/zinc/20/52/23/874205223.db2.gz WDUZTFFDFYTTAH-UHFFFAOYSA-N 1 0 381.520 3.613 20 30 GHEDRO N#Cc1cccc([C@@H](O)CN2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC001198202406 874270736 /nfs/dbraw/zinc/27/07/36/874270736.db2.gz MFLJZXSADPFFRP-QHCPKHFHSA-N 1 0 375.516 3.679 20 30 GHEDRO CO[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429495833 874322628 /nfs/dbraw/zinc/32/26/28/874322628.db2.gz WVHLNXPAYLBJRZ-SJORKVTESA-N 1 0 375.538 3.764 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cc(C#N)ccc1F ZINC000769967388 874368812 /nfs/dbraw/zinc/36/88/12/874368812.db2.gz GUBROZGVTYGHDK-OAHLLOKOSA-N 1 0 379.435 3.642 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000177743590 882822371 /nfs/dbraw/zinc/82/23/71/882822371.db2.gz MJJUIPNNDSWHDZ-UHFFFAOYSA-N 1 0 398.551 3.892 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775880643 874512269 /nfs/dbraw/zinc/51/22/69/874512269.db2.gz KTTYENYHLLXJHA-QGZVFWFLSA-N 1 0 376.504 3.831 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)CC1 ZINC000528449675 874596633 /nfs/dbraw/zinc/59/66/33/874596633.db2.gz PMALTEUWLYIOTR-LSDHHAIUSA-N 1 0 383.355 3.771 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2OC)cc1OC ZINC000858105132 882850975 /nfs/dbraw/zinc/85/09/75/882850975.db2.gz JVOHTBOOZOUKCO-KRWDZBQOSA-N 1 0 377.868 3.745 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1C#N ZINC000464861740 874662348 /nfs/dbraw/zinc/66/23/48/874662348.db2.gz VJDXJTZSFLGPPM-NQIIRXRSSA-N 1 0 398.551 3.921 20 30 GHEDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000541983429 874702556 /nfs/dbraw/zinc/70/25/56/874702556.db2.gz JNIVCMZWAFGSID-APWZRJJASA-N 1 0 383.517 3.651 20 30 GHEDRO C#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1F ZINC000804416803 882856548 /nfs/dbraw/zinc/85/65/48/882856548.db2.gz SOHBIXZISAJKID-UZLBHIALSA-N 1 0 385.870 3.577 20 30 GHEDRO C=CCOc1cccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC001198956777 874727607 /nfs/dbraw/zinc/72/76/07/874727607.db2.gz FVLYPLMEDAILND-UHFFFAOYSA-N 1 0 387.524 3.656 20 30 GHEDRO CCC(C#N)(CC)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000528603607 874771931 /nfs/dbraw/zinc/77/19/31/874771931.db2.gz FEZZHMBJCOECBG-UHFFFAOYSA-N 1 0 377.916 3.629 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445624 874866834 /nfs/dbraw/zinc/86/68/34/874866834.db2.gz KUPVYOCUKWHFOJ-KCXAZCMYSA-N 1 0 391.537 3.931 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000528675658 874869400 /nfs/dbraw/zinc/86/94/00/874869400.db2.gz GSNQZWHAHBPVHD-FQEVSTJZSA-N 1 0 392.459 3.765 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000528681255 874879898 /nfs/dbraw/zinc/87/98/98/874879898.db2.gz QSRDOAARINIWQV-QFIPXVFZSA-N 1 0 392.503 3.907 20 30 GHEDRO CO[C@@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000449484250 874934387 /nfs/dbraw/zinc/93/43/87/874934387.db2.gz LWXZQPJDLDDYQO-QFIPXVFZSA-N 1 0 375.476 3.510 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1cccc(OC)c1 ZINC000153065752 874968282 /nfs/dbraw/zinc/96/82/82/874968282.db2.gz JDKHWCQFBGDBCY-LJQANCHMSA-N 1 0 387.430 3.658 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2CCC)CC1 ZINC000542117998 874999205 /nfs/dbraw/zinc/99/92/05/874999205.db2.gz DURPNTFNOJIKNR-UHFFFAOYSA-N 1 0 381.524 3.987 20 30 GHEDRO Cc1ccc(C[C@H](CO)C[NH2+]C2CCC(C)(C#N)CC2)cc1Br ZINC000449597551 875101086 /nfs/dbraw/zinc/10/10/86/875101086.db2.gz FQEIEVTZFCQGQL-MUYFXNHWSA-N 1 0 379.342 3.971 20 30 GHEDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000475729567 882897973 /nfs/dbraw/zinc/89/79/73/882897973.db2.gz NUPNXTDWSOLVTI-IBGZPJMESA-N 1 0 385.895 3.730 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC000528842792 875139203 /nfs/dbraw/zinc/13/92/03/875139203.db2.gz UUQJZKPBQFWVJK-NHCUHLMSSA-N 1 0 376.504 3.880 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cn1 ZINC000528848989 875152897 /nfs/dbraw/zinc/15/28/97/875152897.db2.gz DONHDQKRMPJJPW-HXPMCKFVSA-N 1 0 396.516 3.580 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)c2)c1 ZINC000449665226 875211033 /nfs/dbraw/zinc/21/10/33/875211033.db2.gz CGDVSUHKHZNYAE-QUCCMNQESA-N 1 0 390.405 3.882 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)c2)c1 ZINC000449665224 875211397 /nfs/dbraw/zinc/21/13/97/875211397.db2.gz CGDVSUHKHZNYAE-ICSRJNTNSA-N 1 0 390.405 3.882 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1cccc(F)c1 ZINC000858177809 882911907 /nfs/dbraw/zinc/91/19/07/882911907.db2.gz PSXWARARGKRYIJ-OAQYLSRUSA-N 1 0 379.479 3.928 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)CC1 ZINC000106037344 875712554 /nfs/dbraw/zinc/71/25/54/875712554.db2.gz OJRJVNLZZUHISS-UHFFFAOYSA-N 1 0 397.544 3.795 20 30 GHEDRO COCc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000529212101 875835049 /nfs/dbraw/zinc/83/50/49/875835049.db2.gz NIQDTEOEOFTESB-JTSKRJEESA-N 1 0 392.503 3.737 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000271876873 875841289 /nfs/dbraw/zinc/84/12/89/875841289.db2.gz OIXSYSFTEZUCSR-FYYLOGMGSA-N 1 0 399.485 3.903 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000858245083 882971490 /nfs/dbraw/zinc/97/14/90/882971490.db2.gz MYBBYQAOXTWOJS-HRAATJIYSA-N 1 0 385.895 3.626 20 30 GHEDRO CCCCCCCC[N@@H+]1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001201815030 875872207 /nfs/dbraw/zinc/87/22/07/875872207.db2.gz VTSVPNFHIPHMEF-NRFANRHFSA-N 1 0 378.536 3.895 20 30 GHEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000772375858 875926049 /nfs/dbraw/zinc/92/60/49/875926049.db2.gz SJEFLYAZYSYDAT-RTBURBONSA-N 1 0 399.535 3.541 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCSCC3)c(C)c2)CC1 ZINC000106324569 875970343 /nfs/dbraw/zinc/97/03/43/875970343.db2.gz FQICSESVOXMWSX-UHFFFAOYSA-N 1 0 388.581 3.710 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Br)cc1 ZINC001202168447 876040112 /nfs/dbraw/zinc/04/01/12/876040112.db2.gz JTPWPBGZFNGXCI-HXUWFJFHSA-N 1 0 388.305 3.849 20 30 GHEDRO N#C[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC12CCCC2 ZINC000450196463 876060139 /nfs/dbraw/zinc/06/01/39/876060139.db2.gz BOMOLUCPAIVDDV-LGVFNWMJSA-N 1 0 377.532 3.974 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000491993394 876076661 /nfs/dbraw/zinc/07/66/61/876076661.db2.gz BYJRNYLLQUWUDY-OAQYLSRUSA-N 1 0 378.495 3.530 20 30 GHEDRO N#Cc1cc(Br)cnc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000450219561 876103205 /nfs/dbraw/zinc/10/32/05/876103205.db2.gz YFWUYDYDYGNJEI-OAHLLOKOSA-N 1 0 375.270 3.948 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccn(CCc4ccccc4)n3)CC2)cc1 ZINC000450219845 876106199 /nfs/dbraw/zinc/10/61/99/876106199.db2.gz XGDHRGLGQRVPES-UHFFFAOYSA-N 1 0 399.542 3.705 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000195539112 882999569 /nfs/dbraw/zinc/99/95/69/882999569.db2.gz QZLPDRNUIQUZNX-GJZGRUSLSA-N 1 0 385.439 3.669 20 30 GHEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC000858284573 883001634 /nfs/dbraw/zinc/00/16/34/883001634.db2.gz KVINQMCITAVJBN-YLJYHZDGSA-N 1 0 398.551 3.905 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271950192 876193920 /nfs/dbraw/zinc/19/39/20/876193920.db2.gz QXKKUSQSSHMDBT-GJZGRUSLSA-N 1 0 381.451 3.767 20 30 GHEDRO CC[N@H+](CCC(=O)NCc1ccc(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000450281305 876214354 /nfs/dbraw/zinc/21/43/54/876214354.db2.gz BWBBRVYZHQTHTQ-KRWDZBQOSA-N 1 0 395.503 3.665 20 30 GHEDRO CC(C)C[C@@H](CNc1nc2c(cc1C#N)COCC2)[NH2+][C@H](C)c1ccccc1 ZINC000450338715 876291042 /nfs/dbraw/zinc/29/10/42/876291042.db2.gz YUSQIMZVDMUEAG-UTKZUKDTSA-N 1 0 378.520 3.625 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000450398888 876378009 /nfs/dbraw/zinc/37/80/09/876378009.db2.gz BAJCNDCJWRATBF-BDTNDASRSA-N 1 0 386.536 3.996 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000551003867 883029226 /nfs/dbraw/zinc/02/92/26/883029226.db2.gz IHEULJJRGYZGSA-NPMXOYFQSA-N 1 0 388.471 3.634 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)cc1F ZINC000786109000 876451831 /nfs/dbraw/zinc/45/18/31/876451831.db2.gz SYQQGWUGMWKLCO-UHFFFAOYSA-N 1 0 381.451 3.836 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000858334154 883034438 /nfs/dbraw/zinc/03/44/38/883034438.db2.gz SMTOMRGUHUEQCY-GFCCVEGCSA-N 1 0 392.240 3.577 20 30 GHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000609353890 883044348 /nfs/dbraw/zinc/04/43/48/883044348.db2.gz YSPFKANBZGXFHW-IYBDPMFKSA-N 1 0 397.548 3.990 20 30 GHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000609355915 883047816 /nfs/dbraw/zinc/04/78/16/883047816.db2.gz LCPCRNAIKHUYQR-KBPBESRZSA-N 1 0 398.429 3.884 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC1CC(OC(C)(C)C)C1 ZINC000450746211 876846229 /nfs/dbraw/zinc/84/62/29/876846229.db2.gz QWBLPJMPOCNRLT-UHFFFAOYSA-N 1 0 378.586 3.931 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000450786272 876890059 /nfs/dbraw/zinc/89/00/59/876890059.db2.gz PJXDBZNFKWPDJN-UHFFFAOYSA-N 1 0 393.447 3.501 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000850721400 877125687 /nfs/dbraw/zinc/12/56/87/877125687.db2.gz QJDHLGRXLUGVBL-JCOOBLOPSA-N 1 0 384.520 3.511 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000237496281 877276061 /nfs/dbraw/zinc/27/60/61/877276061.db2.gz UPEZDSUHBWYFQL-KRWDZBQOSA-N 1 0 389.455 3.790 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc21 ZINC000451087626 877348554 /nfs/dbraw/zinc/34/85/54/877348554.db2.gz PFGVPYJUYHCXMU-GOSISDBHSA-N 1 0 375.881 3.561 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492694517 877360176 /nfs/dbraw/zinc/36/01/76/877360176.db2.gz DXHYZPSRIPILSN-GOEBONIOSA-N 1 0 392.341 3.838 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3nccs3)CCCC2)c(OC)c1 ZINC000175008819 877398608 /nfs/dbraw/zinc/39/86/08/877398608.db2.gz GVGWBYUHFHROQF-KRWDZBQOSA-N 1 0 388.533 3.679 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000285289820 912233229 /nfs/dbraw/zinc/23/32/29/912233229.db2.gz VDAVAKDPZRSNRU-UHFFFAOYSA-N 1 0 380.467 3.614 20 30 GHEDRO COc1cccc(C[N@H+](CCOc2ccc(C#N)cc2OC)C[C@@H]2CCCO2)c1 ZINC000610132629 877448058 /nfs/dbraw/zinc/44/80/58/877448058.db2.gz OXKRDGQSQAGZDM-NRFANRHFSA-N 1 0 396.487 3.635 20 30 GHEDRO Cc1cccc(NC(=O)CON=C(N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000746699714 877501729 /nfs/dbraw/zinc/50/17/29/877501729.db2.gz SNRQFEOTUHMXGA-UHFFFAOYSA-N 1 0 389.455 3.850 20 30 GHEDRO C[C@H](CCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000551672913 877645078 /nfs/dbraw/zinc/64/50/78/877645078.db2.gz BAIREGIYKPIWSR-CQSZACIVSA-N 1 0 390.409 3.612 20 30 GHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460544577 877770701 /nfs/dbraw/zinc/77/07/01/877770701.db2.gz FKXUCVDOGZMATM-NRFANRHFSA-N 1 0 379.552 3.702 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1nnc(-c2ccccn2)s1 ZINC000788031122 877791470 /nfs/dbraw/zinc/79/14/70/877791470.db2.gz VQTLKITWAUFBNL-HNNXBMFYSA-N 1 0 378.505 3.910 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000152383614 877928752 /nfs/dbraw/zinc/92/87/52/877928752.db2.gz IJEFUUJCYIUAAL-UXHICEINSA-N 1 0 393.531 3.967 20 30 GHEDRO C#CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)CCCCC1 ZINC000788223106 877929896 /nfs/dbraw/zinc/92/98/96/877929896.db2.gz MZOUZUUNJYDIHW-NRFANRHFSA-N 1 0 395.547 3.765 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000451476832 877989200 /nfs/dbraw/zinc/98/92/00/877989200.db2.gz VVENGZCGJGXBOX-MSOLQXFVSA-N 1 0 375.900 3.524 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451490009 878036779 /nfs/dbraw/zinc/03/67/79/878036779.db2.gz LDVATZCVFHXUCK-HRYATBACSA-N 1 0 385.533 3.567 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1(C)C ZINC000451557634 878145186 /nfs/dbraw/zinc/14/51/86/878145186.db2.gz BXWVVFVPKWOGKV-KBXCAEBGSA-N 1 0 389.565 3.820 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460553515 878167003 /nfs/dbraw/zinc/16/70/03/878167003.db2.gz QESWDPYFJJYRKM-UHFFFAOYSA-N 1 0 376.508 3.562 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC000788643537 878205283 /nfs/dbraw/zinc/20/52/83/878205283.db2.gz KALZFZBLNVUCMC-SFHVURJKSA-N 1 0 385.508 3.857 20 30 GHEDRO N#CC1(c2ccccn2)CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000374463389 878205569 /nfs/dbraw/zinc/20/55/69/878205569.db2.gz VCDDOSLBUONMIT-UHFFFAOYSA-N 1 0 388.515 3.765 20 30 GHEDRO COc1ccc(COC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000772722216 878212270 /nfs/dbraw/zinc/21/22/70/878212270.db2.gz DWQNIVQBHDIGCE-UHFFFAOYSA-N 1 0 378.472 3.912 20 30 GHEDRO C#C[C@H](NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000852346377 878267785 /nfs/dbraw/zinc/26/77/85/878267785.db2.gz FRUATFOHRIUWKH-NRFANRHFSA-N 1 0 396.922 3.621 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000451676064 878293875 /nfs/dbraw/zinc/29/38/75/878293875.db2.gz RQJKQAZCVBERKJ-LWSSLDFYSA-N 1 0 381.516 3.785 20 30 GHEDRO C#CCC[NH+]1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000776592443 878302891 /nfs/dbraw/zinc/30/28/91/878302891.db2.gz FZHXKWDKLLEYQC-UHFFFAOYSA-N 1 0 375.925 3.516 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1-n1cccn1 ZINC000180001738 878342243 /nfs/dbraw/zinc/34/22/43/878342243.db2.gz KBJURCQVGSUVPD-UWJYYQICSA-N 1 0 385.471 3.590 20 30 GHEDRO N#Cc1c[nH]c(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)c1 ZINC000537831744 878395638 /nfs/dbraw/zinc/39/56/38/878395638.db2.gz QXHQMMIAZXDEJY-UHFFFAOYSA-N 1 0 399.498 3.503 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1F ZINC000852602245 878458604 /nfs/dbraw/zinc/45/86/04/878458604.db2.gz XTCROKVELQODSP-INIZCTEOSA-N 1 0 397.416 3.710 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460780121 878550672 /nfs/dbraw/zinc/55/06/72/878550672.db2.gz QNAPXHZKLQHBKF-CEWLAPEOSA-N 1 0 395.551 3.662 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)c1C#N ZINC000852728411 878554311 /nfs/dbraw/zinc/55/43/11/878554311.db2.gz BNWSYEIHAMHNSF-UXHICEINSA-N 1 0 386.879 3.846 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460790174 878567190 /nfs/dbraw/zinc/56/71/90/878567190.db2.gz LIUXXEKQNKIQJB-ROUUACIJSA-N 1 0 392.551 3.845 20 30 GHEDRO Cc1sc(NC(=O)C#CC2CC[NH2+]CC2)nc1-c1ccc(OC(F)F)cc1 ZINC000852805797 878613050 /nfs/dbraw/zinc/61/30/50/878613050.db2.gz ABAUMQWPAKUGNM-UHFFFAOYSA-N 1 0 391.443 3.661 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCCCCCNC(=O)CC2)cc1OC ZINC001183270339 912394371 /nfs/dbraw/zinc/39/43/71/912394371.db2.gz SQXSMCSGICGTBR-UHFFFAOYSA-N 1 0 380.916 3.796 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460931662 878850778 /nfs/dbraw/zinc/85/07/78/878850778.db2.gz LTTSGGRCRYPTND-FPOVZHCZSA-N 1 0 397.567 3.642 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460931663 878851124 /nfs/dbraw/zinc/85/11/24/878851124.db2.gz LTTSGGRCRYPTND-PZJWPPBQSA-N 1 0 397.567 3.642 20 30 GHEDRO C[NH+](C)C[C@H](OC(=O)Cc1ccccc1CC#N)c1cc(F)c(F)c(F)c1 ZINC000853211797 878892539 /nfs/dbraw/zinc/89/25/39/878892539.db2.gz DJUJEXHSPRMQPA-SFHVURJKSA-N 1 0 376.378 3.559 20 30 GHEDRO C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460954839 878902620 /nfs/dbraw/zinc/90/26/20/878902620.db2.gz AJQRYUSFYFSHIV-OYRHEFFESA-N 1 0 377.536 3.690 20 30 GHEDRO COC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000452075751 878904766 /nfs/dbraw/zinc/90/47/66/878904766.db2.gz DEQVBSJOKKZYSK-KRWDZBQOSA-N 1 0 377.916 3.644 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000538165389 878930856 /nfs/dbraw/zinc/93/08/56/878930856.db2.gz IHXFCNZGCTXBFR-ZDUSSCGKSA-N 1 0 387.867 3.908 20 30 GHEDRO c1ccc(C[NH+]2CCC(CN=Nc3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000853337303 878972443 /nfs/dbraw/zinc/97/24/43/878972443.db2.gz YVQUYMVVCCGKNG-UHFFFAOYSA-N 1 0 378.505 3.910 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC2CCOCC2)c1 ZINC000068866548 879105294 /nfs/dbraw/zinc/10/52/94/879105294.db2.gz FOILIKFZLVRKFW-UHFFFAOYSA-O 1 0 389.928 3.643 20 30 GHEDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000538292152 879190003 /nfs/dbraw/zinc/19/00/03/879190003.db2.gz DHVDHRGWTMTJGK-KKXNLOMOSA-N 1 0 398.528 3.700 20 30 GHEDRO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](C)c2cccc(Br)c2)n1 ZINC000789761281 879240432 /nfs/dbraw/zinc/24/04/32/879240432.db2.gz ZCQVKSRWGHIYQO-MRXNPFEDSA-N 1 0 390.325 3.531 20 30 GHEDRO COc1cccc(C2(C[NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)CCCC2)c1 ZINC000520833576 879363980 /nfs/dbraw/zinc/36/39/80/879363980.db2.gz FVWFKMHYUJQDBA-GOSISDBHSA-N 1 0 383.536 3.828 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1 ZINC000493366426 879385209 /nfs/dbraw/zinc/38/52/09/879385209.db2.gz CWDMCXVKLDRFMN-JXFKEZNVSA-N 1 0 377.513 3.876 20 30 GHEDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000068991008 879387206 /nfs/dbraw/zinc/38/72/06/879387206.db2.gz OHHMAPOLJKXJTN-KRWDZBQOSA-N 1 0 379.439 3.748 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)NC2CCCCC2)cc1 ZINC000265967318 879749502 /nfs/dbraw/zinc/74/95/02/879749502.db2.gz KEGNXWNOKZHUSM-UHFFFAOYSA-O 1 0 385.557 3.521 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609163545 879790261 /nfs/dbraw/zinc/79/02/61/879790261.db2.gz JAXZDFVDUUVLHJ-UHFFFAOYSA-N 1 0 386.499 3.821 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461446372 879837261 /nfs/dbraw/zinc/83/72/61/879837261.db2.gz CXUSKNWPNGZXJO-NHCUHLMSSA-N 1 0 391.540 3.631 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1CC#N)c1cccc(OC)c1 ZINC000776755969 880069832 /nfs/dbraw/zinc/06/98/32/880069832.db2.gz RQRFGWZLPYVGFI-QFIPXVFZSA-N 1 0 379.504 3.503 20 30 GHEDRO N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000855302976 880421745 /nfs/dbraw/zinc/42/17/45/880421745.db2.gz RBFGAWNACYEBNW-XMMPIXPASA-N 1 0 388.515 3.765 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000855303150 880421910 /nfs/dbraw/zinc/42/19/10/880421910.db2.gz WCAFZDWMNJLNGK-QHCPKHFHSA-N 1 0 376.504 3.621 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000855308006 880428183 /nfs/dbraw/zinc/42/81/83/880428183.db2.gz UEWJEVBSIYRJLJ-GGAORHGYSA-N 1 0 376.504 3.548 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000453446956 880914874 /nfs/dbraw/zinc/91/48/74/880914874.db2.gz WUJMNFNNNRIDDN-HXUWFJFHSA-N 1 0 387.572 3.798 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000453426415 880927308 /nfs/dbraw/zinc/92/73/08/880927308.db2.gz QMZSMKAEEUYBLO-SFHVURJKSA-N 1 0 377.492 3.682 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000453462224 880963910 /nfs/dbraw/zinc/96/39/10/880963910.db2.gz HCFSEQUNNRKGIJ-ZCNNSNEGSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c(N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453448826 881001523 /nfs/dbraw/zinc/00/15/23/881001523.db2.gz ZFPOOUFFUWRVBY-REWPJTCUSA-N 1 0 395.551 3.591 20 30 GHEDRO N#CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000856170326 881007835 /nfs/dbraw/zinc/00/78/35/881007835.db2.gz YOLOHPSRQHCUGZ-HXUWFJFHSA-N 1 0 389.499 3.621 20 30 GHEDRO N#CCc1cc2ccccc2c(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c1 ZINC001170170480 881170404 /nfs/dbraw/zinc/17/04/04/881170404.db2.gz SRKVLPSJVJXSOY-UHFFFAOYSA-N 1 0 385.471 3.774 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(C#N)cc1 ZINC001170234383 881240039 /nfs/dbraw/zinc/24/00/39/881240039.db2.gz TWZDUYCAFPTAIR-NBCNXNJRSA-N 1 0 385.508 3.625 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Br)c(F)c1 ZINC000494245547 881283128 /nfs/dbraw/zinc/28/31/28/881283128.db2.gz SANQPAUVTMFEJY-UHFFFAOYSA-N 1 0 396.285 3.982 20 30 GHEDRO N#Cc1cc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cnc1C(F)(F)F ZINC000556979715 881315632 /nfs/dbraw/zinc/31/56/32/881315632.db2.gz DVIRLHSLZVJBGV-UHFFFAOYSA-N 1 0 394.441 3.843 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCOCC1 ZINC000858492596 883144876 /nfs/dbraw/zinc/14/48/76/883144876.db2.gz ASDSZMARTJMDCT-HXUWFJFHSA-N 1 0 399.535 3.989 20 30 GHEDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cccc(OCc3ccccc3C#N)c1)C2 ZINC000609432630 883162886 /nfs/dbraw/zinc/16/28/86/883162886.db2.gz BOVOXGVGPMBENB-QFIPXVFZSA-N 1 0 384.483 3.883 20 30 GHEDRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(OCC#N)cc1 ZINC000182099277 883182170 /nfs/dbraw/zinc/18/21/70/883182170.db2.gz IRXGAPZYKVPGRE-WQTXXOFMSA-N 1 0 399.922 3.965 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2)c1 ZINC000181889499 883190773 /nfs/dbraw/zinc/19/07/73/883190773.db2.gz YCNYFZNSSAFAKK-ROUUACIJSA-N 1 0 395.503 3.783 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnn(Cc4ccccc4)c3)C2)c(F)c1 ZINC000609466607 883230152 /nfs/dbraw/zinc/23/01/52/883230152.db2.gz SRZYJBKTDAKLRR-NRFANRHFSA-N 1 0 389.478 3.701 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)CCCCOc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000609516440 883283528 /nfs/dbraw/zinc/28/35/28/883283528.db2.gz UWHHSGCRCPHOLX-QFIPXVFZSA-N 1 0 379.504 3.835 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170465138 883312557 /nfs/dbraw/zinc/31/25/57/883312557.db2.gz MDPZVIPTEBAUEM-NNZMDNLPSA-N 1 0 381.561 3.615 20 30 GHEDRO CC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000858775641 883349585 /nfs/dbraw/zinc/34/95/85/883349585.db2.gz IATFPGLAKRDNSM-KRWDZBQOSA-N 1 0 380.330 3.637 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)cc1C ZINC000175168208 883350901 /nfs/dbraw/zinc/35/09/01/883350901.db2.gz ZEPRVKCREUUTTK-QFIPXVFZSA-N 1 0 382.552 3.500 20 30 GHEDRO N#Cc1cc2ccccc2nc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804807971 883361747 /nfs/dbraw/zinc/36/17/47/883361747.db2.gz NWEARAYOOOSXDV-HSZRJFAPSA-N 1 0 397.526 3.503 20 30 GHEDRO CCC(CC)(CNC(=O)COc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000609549827 883363295 /nfs/dbraw/zinc/36/32/95/883363295.db2.gz MOAAGGOLFMINTE-GOSISDBHSA-N 1 0 379.504 3.963 20 30 GHEDRO Cc1cc(C)c2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)sc2n1 ZINC000609580143 883376102 /nfs/dbraw/zinc/37/61/02/883376102.db2.gz OSWBAQZXQLBAFW-UHFFFAOYSA-N 1 0 392.528 3.989 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3cc4oc5ccccc5c4cc3O)CC2)n1 ZINC000760550669 883461561 /nfs/dbraw/zinc/46/15/61/883461561.db2.gz IUPIDRHHEIQURJ-UHFFFAOYSA-N 1 0 384.439 3.880 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000804988905 883505318 /nfs/dbraw/zinc/50/53/18/883505318.db2.gz AIAJPSVRZCXKTK-XMMPIXPASA-N 1 0 389.543 3.832 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000805156788 883634130 /nfs/dbraw/zinc/63/41/30/883634130.db2.gz BBKYUEWZQPZZKJ-QHCPKHFHSA-N 1 0 392.478 3.505 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000805176470 883656481 /nfs/dbraw/zinc/65/64/81/883656481.db2.gz JQXPXPQTDNDUJT-HUVFLSCGSA-N 1 0 389.543 3.973 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccn(-c4cccc(F)c4)n3)CC2)cc1 ZINC000064556041 883674570 /nfs/dbraw/zinc/67/45/70/883674570.db2.gz BCONGYLIEMVQKY-UHFFFAOYSA-N 1 0 389.478 3.591 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805274663 883731587 /nfs/dbraw/zinc/73/15/87/883731587.db2.gz SHAVPUSVBSXGRG-TUACAJSNSA-N 1 0 389.543 3.831 20 30 GHEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000194395214 883800696 /nfs/dbraw/zinc/80/06/96/883800696.db2.gz SQSDNAWDGFBQSJ-RTBURBONSA-N 1 0 394.515 3.791 20 30 GHEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001275235096 912759036 /nfs/dbraw/zinc/75/90/36/912759036.db2.gz WLNZINBWXIIHKE-KRWDZBQOSA-N 1 0 385.817 3.588 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465437114 883868802 /nfs/dbraw/zinc/86/88/02/883868802.db2.gz WDQOHMHAHDZUFM-DNVJHFABSA-N 1 0 388.515 3.742 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC000859524579 883870280 /nfs/dbraw/zinc/87/02/80/883870280.db2.gz BJNOGDHIICYWIO-UHFFFAOYSA-N 1 0 392.286 3.866 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190303296 884065936 /nfs/dbraw/zinc/06/59/36/884065936.db2.gz RBTFTHYIOZPSFM-OAHLLOKOSA-N 1 0 381.867 3.810 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c(Br)c1 ZINC001137634798 884070643 /nfs/dbraw/zinc/07/06/43/884070643.db2.gz ZWRGVYCUDWLHTM-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792355 884075298 /nfs/dbraw/zinc/07/52/98/884075298.db2.gz CQDDUYPDAMBJRH-QFIPXVFZSA-N 1 0 385.508 3.790 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000805793820 884082045 /nfs/dbraw/zinc/08/20/45/884082045.db2.gz KEBBALFEFFWJAY-JOCHJYFZSA-N 1 0 385.508 3.660 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508879945 884205766 /nfs/dbraw/zinc/20/57/66/884205766.db2.gz JAKIESVWTDSQFB-UHFFFAOYSA-N 1 0 388.519 3.744 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000532920147 884265464 /nfs/dbraw/zinc/26/54/64/884265464.db2.gz LYZCWRXUDDTIBX-WOJBJXKFSA-N 1 0 393.535 3.552 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1Cl ZINC000556295777 884392577 /nfs/dbraw/zinc/39/25/77/884392577.db2.gz HHEBZHTYWNRERQ-DBVUQKKJSA-N 1 0 389.927 3.688 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000860170647 884392906 /nfs/dbraw/zinc/39/29/06/884392906.db2.gz PYWKYZXVOOOQQB-QFIPXVFZSA-N 1 0 398.547 3.776 20 30 GHEDRO COc1ccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)cc1OCCCC#N ZINC000897720355 884420323 /nfs/dbraw/zinc/42/03/23/884420323.db2.gz PSHFPZAARGWVNP-UHFFFAOYSA-N 1 0 388.508 3.791 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000842008207 884520863 /nfs/dbraw/zinc/52/08/63/884520863.db2.gz VEAOXCRSKJJHMZ-SIKLNZKXSA-N 1 0 397.469 3.503 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NN2C(=S)N=NC2C(C)(C)C)c1C ZINC000914692093 884524797 /nfs/dbraw/zinc/52/47/97/884524797.db2.gz LVLCYEINIXZYCJ-KRWDZBQOSA-N 1 0 388.585 3.649 20 30 GHEDRO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2C#N)cc1 ZINC001183837647 912841145 /nfs/dbraw/zinc/84/11/45/912841145.db2.gz ZUPXJYHCMMFQNC-QHCPKHFHSA-N 1 0 390.531 3.656 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000806310002 884553829 /nfs/dbraw/zinc/55/38/29/884553829.db2.gz OQLJZDBHTWLIIM-PMACEKPBSA-N 1 0 381.545 3.819 20 30 GHEDRO [NH2+]=C(NCc1ccccc1OC(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000263279322 884593850 /nfs/dbraw/zinc/59/38/50/884593850.db2.gz ZQTWIPBMSCGROW-UHFFFAOYSA-N 1 0 381.354 3.673 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(F)cc1OCC#N)[NH+](C)C ZINC000806349537 884610872 /nfs/dbraw/zinc/61/08/72/884610872.db2.gz QAMSHAQFVOJOCO-MGPUTAFESA-N 1 0 384.455 3.849 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000898161841 884621899 /nfs/dbraw/zinc/62/18/99/884621899.db2.gz IYNSROUXGMZBSY-DZIBYMRMSA-N 1 0 396.453 3.700 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H]1C ZINC000498550419 884803243 /nfs/dbraw/zinc/80/32/43/884803243.db2.gz PGFAKYIHRZZESN-MSOLQXFVSA-N 1 0 377.488 3.692 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=S)Nc2ccccc2C#N)[NH+](C)C)cc1 ZINC000806598512 884838489 /nfs/dbraw/zinc/83/84/89/884838489.db2.gz JEKOANAOVKZHBK-FQEVSTJZSA-N 1 0 382.533 3.935 20 30 GHEDRO C#Cc1cccc(NC(=S)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)c1 ZINC000806602625 884844739 /nfs/dbraw/zinc/84/47/39/884844739.db2.gz MRXHLOPICOATNS-UHFFFAOYSA-N 1 0 380.517 3.757 20 30 GHEDRO C=CC[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000806818895 885032147 /nfs/dbraw/zinc/03/21/47/885032147.db2.gz JLVHZJNMPZJTNZ-JOCHJYFZSA-N 1 0 394.519 3.671 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OCCOCC)CC1 ZINC000106325746 885033343 /nfs/dbraw/zinc/03/33/43/885033343.db2.gz YISDVKWHLQBXJV-UHFFFAOYSA-N 1 0 395.931 3.917 20 30 GHEDRO Cc1ccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000860871790 885068503 /nfs/dbraw/zinc/06/85/03/885068503.db2.gz DLRUNPDSAKEQKK-UHFFFAOYSA-N 1 0 392.503 3.673 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460378555 885159776 /nfs/dbraw/zinc/15/97/76/885159776.db2.gz YIWNMIPAXDWAHH-UHFFFAOYSA-N 1 0 383.515 3.658 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000286813325 912907099 /nfs/dbraw/zinc/90/70/99/912907099.db2.gz UKCFCTRDQUOJFY-GOSISDBHSA-N 1 0 394.519 3.671 20 30 GHEDRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191509965 885246714 /nfs/dbraw/zinc/24/67/14/885246714.db2.gz JRFYJRNZPURBII-HNNXBMFYSA-N 1 0 387.915 3.710 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610804417 885266049 /nfs/dbraw/zinc/26/60/49/885266049.db2.gz AKEPDRHTAFMHMI-NRFANRHFSA-N 1 0 391.515 3.744 20 30 GHEDRO C=CCCSCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001130882008 885319106 /nfs/dbraw/zinc/31/91/06/885319106.db2.gz VORDWQKHVMGFHT-GOSISDBHSA-N 1 0 386.483 3.867 20 30 GHEDRO COc1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1C#N ZINC000747394741 885404511 /nfs/dbraw/zinc/40/45/11/885404511.db2.gz RTCSSHMCQWWLOE-UHFFFAOYSA-N 1 0 384.524 3.555 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C2(c3ccc(C#N)cc3)CCCC2)cc1 ZINC000861606327 885688113 /nfs/dbraw/zinc/68/81/13/885688113.db2.gz JKSHMZIVGOMSCE-QFIPXVFZSA-N 1 0 391.515 3.798 20 30 GHEDRO Cc1ccc2ncc(C#N)c(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000487922970 885958824 /nfs/dbraw/zinc/95/88/24/885958824.db2.gz YKKQNHCJWLUXLC-UHFFFAOYSA-N 1 0 381.483 3.999 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCc1ccc(F)cc1 ZINC000055024714 885982929 /nfs/dbraw/zinc/98/29/29/885982929.db2.gz MBKFBAXHMKMKRP-KRWDZBQOSA-N 1 0 383.467 3.644 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000808119828 886029728 /nfs/dbraw/zinc/02/97/28/886029728.db2.gz VBYKUNZDRGXIOL-KAMYIIQDSA-N 1 0 391.515 3.949 20 30 GHEDRO C=CCc1ccc(OCC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c(OC)c1 ZINC000262924867 886033609 /nfs/dbraw/zinc/03/36/09/886033609.db2.gz FLEVUZNQFSATSA-UHFFFAOYSA-N 1 0 394.393 3.919 20 30 GHEDRO COc1cccc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000195028235 886097321 /nfs/dbraw/zinc/09/73/21/886097321.db2.gz LQHKZFIRNLJKAJ-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO CC(=O)N1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC12CCCCC2 ZINC000498924705 886115833 /nfs/dbraw/zinc/11/58/33/886115833.db2.gz NBUNMQWUTFAEEX-UHFFFAOYSA-N 1 0 378.438 3.924 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc(OC)c1O ZINC000762484899 886277614 /nfs/dbraw/zinc/27/76/14/886277614.db2.gz NYDALBYILSAZCM-YJBOKZPZSA-N 1 0 390.524 3.864 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)OC(C)(C)C)ccc1C#N ZINC000862537625 886444239 /nfs/dbraw/zinc/44/42/39/886444239.db2.gz ZSUHXHHBBGSINR-YRPNKDGESA-N 1 0 397.519 3.644 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c(C#N)c1C ZINC000287035495 913046756 /nfs/dbraw/zinc/04/67/56/913046756.db2.gz SNAAJHLXVMCSJF-MRXNPFEDSA-N 1 0 377.897 3.542 20 30 GHEDRO C=CCN1CC[C@]2(CCCN2Cc2cc(F)c(Br)cc2C)C1=O ZINC001275294744 913049490 /nfs/dbraw/zinc/04/94/90/913049490.db2.gz QFXDNLOXAGBDTD-GOSISDBHSA-N 1 0 381.289 3.650 20 30 GHEDRO CC(C)(CC#N)CNC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000459231628 886710437 /nfs/dbraw/zinc/71/04/37/886710437.db2.gz KWKJFCPSOHMYQL-UHFFFAOYSA-N 1 0 396.457 3.863 20 30 GHEDRO C[C@@H]([NH2+]CCOc1ccc(I)cc1)c1ccc(C#N)cc1 ZINC000509508253 886732494 /nfs/dbraw/zinc/73/24/94/886732494.db2.gz CDXXGTCZRMSKOW-CYBMUJFWSA-N 1 0 392.240 3.892 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1O2 ZINC000193607934 886976798 /nfs/dbraw/zinc/97/67/98/886976798.db2.gz SKQQIJRSPAUSTD-IBGZPJMESA-N 1 0 376.460 3.668 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000393697990 887560452 /nfs/dbraw/zinc/56/04/52/887560452.db2.gz LEGQCGWTXPXXRY-SSDOTTSWSA-N 1 0 378.263 3.756 20 30 GHEDRO C#Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000809627381 887626091 /nfs/dbraw/zinc/62/60/91/887626091.db2.gz RWPLNTHOAXETHD-UHFFFAOYSA-N 1 0 394.471 3.898 20 30 GHEDRO Cn1nc(C(F)(F)F)c(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Cl ZINC000809731350 887712226 /nfs/dbraw/zinc/71/22/26/887712226.db2.gz GWBJWKQTVHAJMS-UHFFFAOYSA-N 1 0 399.848 3.528 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000054425574 887972232 /nfs/dbraw/zinc/97/22/32/887972232.db2.gz DPQUEVCYZMCXCE-UHFFFAOYSA-N 1 0 387.867 3.689 20 30 GHEDRO C#Cc1ccccc1CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000809951721 888017606 /nfs/dbraw/zinc/01/76/06/888017606.db2.gz NNYQIGCHFVNLHM-QHCPKHFHSA-N 1 0 376.500 3.562 20 30 GHEDRO Cc1ccc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C#N)n1 ZINC001170594858 888082289 /nfs/dbraw/zinc/08/22/89/888082289.db2.gz GJWJCMIHTXXILL-JOCHJYFZSA-N 1 0 386.499 3.737 20 30 GHEDRO Cc1ccc(C#N)nc1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170595563 888108058 /nfs/dbraw/zinc/10/80/58/888108058.db2.gz QYUQJHGAVCLDBB-HSZRJFAPSA-N 1 0 386.499 3.737 20 30 GHEDRO N#Cc1cc(C#N)cc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001170596566 888131434 /nfs/dbraw/zinc/13/14/34/888131434.db2.gz PULWULGCKBVMFC-VWLOTQADSA-N 1 0 396.494 3.905 20 30 GHEDRO O=C(NC1CC1)c1cc(F)c(N=NC2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000763187970 888150607 /nfs/dbraw/zinc/15/06/07/888150607.db2.gz HZRNHRCVARNGEF-UHFFFAOYSA-N 1 0 384.430 3.531 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000287255866 913216728 /nfs/dbraw/zinc/21/67/28/913216728.db2.gz HNHUDQOSFHBFNR-UHFFFAOYSA-N 1 0 399.457 3.810 20 30 GHEDRO Cc1c(Cl)nccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000810284963 888381698 /nfs/dbraw/zinc/38/16/98/888381698.db2.gz BTXVOWHBTVRPTM-UHFFFAOYSA-N 1 0 383.883 3.655 20 30 GHEDRO Cc1nn2c(C[NH2+]C3CCN(c4ccccc4C#N)CC3)c(C(C)C)nc2s1 ZINC000865696162 888520568 /nfs/dbraw/zinc/52/05/68/888520568.db2.gz XHGYLTHHQAXORQ-UHFFFAOYSA-N 1 0 394.548 3.853 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 ZINC000122823463 888532397 /nfs/dbraw/zinc/53/23/97/888532397.db2.gz LJZPBKJFIFWFDG-UHFFFAOYSA-N 1 0 389.478 3.795 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1OCc1cccnc1 ZINC000865848904 888609296 /nfs/dbraw/zinc/60/92/96/888609296.db2.gz QNPJASBZMXLNFM-QFIPXVFZSA-N 1 0 385.467 3.798 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000153826367 888679047 /nfs/dbraw/zinc/67/90/47/888679047.db2.gz OOKUYFAIBKVIBO-HXUWFJFHSA-N 1 0 394.515 3.722 20 30 GHEDRO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)s1 ZINC000866448771 888883256 /nfs/dbraw/zinc/88/32/56/888883256.db2.gz LOGFRYRPROKLHN-HNNXBMFYSA-N 1 0 384.549 3.832 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000532758736 888895604 /nfs/dbraw/zinc/89/56/04/888895604.db2.gz LCEDMMKXKDVOKB-HZPDHXFCSA-N 1 0 380.448 3.688 20 30 GHEDRO COc1ccc(C(C)=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000916306990 888909448 /nfs/dbraw/zinc/90/94/48/888909448.db2.gz LHKWSFFCJYVIFH-UHFFFAOYSA-N 1 0 396.560 3.548 20 30 GHEDRO CC(C)(C)c1ccnc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001184567031 913293282 /nfs/dbraw/zinc/29/32/82/913293282.db2.gz ZLRGYWPSKXPQGC-UHFFFAOYSA-N 1 0 376.504 3.667 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc3ccccc31)C2 ZINC000866615702 888968723 /nfs/dbraw/zinc/96/87/23/888968723.db2.gz ILXMGZWJJCGQOI-UYAOXDASSA-N 1 0 399.416 3.651 20 30 GHEDRO N#Cc1ccc(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC000496817579 889106609 /nfs/dbraw/zinc/10/66/09/889106609.db2.gz OWKHULMPRGRJIK-UHFFFAOYSA-N 1 0 381.907 3.879 20 30 GHEDRO C[NH+](C)CC(C)(C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000454515199 889219556 /nfs/dbraw/zinc/21/95/56/889219556.db2.gz RYNQGYIKHWYVMH-UHFFFAOYSA-N 1 0 380.492 3.793 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F)C(F)(F)F ZINC000867980401 889245280 /nfs/dbraw/zinc/24/52/80/889245280.db2.gz SLJMXFNYZFTRCY-SECBINFHSA-N 1 0 398.225 3.614 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000465529368 889251925 /nfs/dbraw/zinc/25/19/25/889251925.db2.gz WHNYHUJESVEKEK-DHIUTWEWSA-N 1 0 388.515 3.526 20 30 GHEDRO O=C1CC[C@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]2N1C1CC1 ZINC000245768225 889677199 /nfs/dbraw/zinc/67/71/99/889677199.db2.gz JWEXDNKEWCUOEM-QFBILLFUSA-N 1 0 376.422 3.532 20 30 GHEDRO COc1ccc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1C#N ZINC000533079879 889704948 /nfs/dbraw/zinc/70/49/48/889704948.db2.gz IAASKHIQGFVDLQ-IEBWSBKVSA-N 1 0 377.271 3.964 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)sc2c1CCCC2 ZINC000533080710 889707933 /nfs/dbraw/zinc/70/79/33/889707933.db2.gz QSUPNLHJMDGARH-HZPDHXFCSA-N 1 0 387.549 3.576 20 30 GHEDRO Cc1cc(-c2nnc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)o2)c(C)o1 ZINC000124804599 889770740 /nfs/dbraw/zinc/77/07/40/889770740.db2.gz MLWWSBIYVLENSS-UHFFFAOYSA-N 1 0 391.475 3.526 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)CC1 ZINC000173593688 889792908 /nfs/dbraw/zinc/79/29/08/889792908.db2.gz HPXFXDQWRMRYPW-LJQANCHMSA-N 1 0 379.508 3.552 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 ZINC000125291921 889940445 /nfs/dbraw/zinc/94/04/45/889940445.db2.gz LGMLLTHRAKKAMU-QZTJIDSGSA-N 1 0 392.503 3.684 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001170645180 889977925 /nfs/dbraw/zinc/97/79/25/889977925.db2.gz AQIBJVBUESSHGA-SQKGIWRMSA-N 1 0 389.499 3.977 20 30 GHEDRO C=CCn1c(SCCC[NH+](CC)CC)nnc1[C@@H]1COc2ccccc2O1 ZINC000475956085 890025167 /nfs/dbraw/zinc/02/51/67/890025167.db2.gz JEGJVIBXYBUQMC-SFHVURJKSA-N 1 0 388.537 3.801 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000125769892 890136059 /nfs/dbraw/zinc/13/60/59/890136059.db2.gz JXXZCGKZXPMBET-UONOGXRCSA-N 1 0 383.414 3.967 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@]3(CCCOC3)C2)sc2c1CCCC2 ZINC000533309347 890222711 /nfs/dbraw/zinc/22/27/11/890222711.db2.gz LJIOWFPGEQMCSJ-NRFANRHFSA-N 1 0 387.549 3.720 20 30 GHEDRO C=CC[N@H+](CC#Cc1cccc(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000533325711 890278592 /nfs/dbraw/zinc/27/85/92/890278592.db2.gz GWWDPQOPXXIJII-QGZVFWFLSA-N 1 0 377.879 3.916 20 30 GHEDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1C ZINC000123032231 890283272 /nfs/dbraw/zinc/28/32/72/890283272.db2.gz FILOPYDGPCAECO-YESZJQIVSA-N 1 0 390.553 3.511 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)COc2cccc(C#N)c2)CCCCC1 ZINC001133216646 890461595 /nfs/dbraw/zinc/46/15/95/890461595.db2.gz ZIMYRCPWGYMHJC-UHFFFAOYSA-N 1 0 391.515 3.888 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533430074 890544385 /nfs/dbraw/zinc/54/43/85/890544385.db2.gz JCUMPKSXXNDBAD-BMGDILEWSA-N 1 0 375.538 3.701 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000126619819 890617629 /nfs/dbraw/zinc/61/76/29/890617629.db2.gz HAWMBQOAATVYCE-UHFFFAOYSA-N 1 0 392.503 3.890 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000533512150 890727089 /nfs/dbraw/zinc/72/70/89/890727089.db2.gz NDIBSDJUJLOCHV-MDZRGWNJSA-N 1 0 388.943 3.877 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000533511889 890727606 /nfs/dbraw/zinc/72/76/06/890727606.db2.gz PHHGTWKECGBAEO-RPJAVUQTSA-N 1 0 388.600 3.643 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000027362989 890775205 /nfs/dbraw/zinc/77/52/05/890775205.db2.gz JCVLAHMYCVDVBB-HSZRJFAPSA-N 1 0 388.515 3.927 20 30 GHEDRO COc1cccc(-c2nc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)co2)c1 ZINC000871722300 890991022 /nfs/dbraw/zinc/99/10/22/890991022.db2.gz AFTWNYCRAYOOQA-UHFFFAOYSA-N 1 0 393.443 3.738 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853719 891046636 /nfs/dbraw/zinc/04/66/36/891046636.db2.gz SUHZYNDNWVSTCB-GBXCKJPGSA-N 1 0 393.531 3.994 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)c2)cc1 ZINC001133495580 891106172 /nfs/dbraw/zinc/10/61/72/891106172.db2.gz XAFZEUYGXQZRME-RTWAWAEBSA-N 1 0 393.512 3.660 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)c2)cc1 ZINC001133495581 891106877 /nfs/dbraw/zinc/10/68/77/891106877.db2.gz XAFZEUYGXQZRME-SFTDATJTSA-N 1 0 393.512 3.660 20 30 GHEDRO C#C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812933753 891138991 /nfs/dbraw/zinc/13/89/91/891138991.db2.gz LXXWFGPIIGNJFN-SIKLNZKXSA-N 1 0 379.479 3.664 20 30 GHEDRO C=C(CC)CNC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000455551464 891178477 /nfs/dbraw/zinc/17/84/77/891178477.db2.gz ZYFNMTNBHBXIFM-UHFFFAOYSA-N 1 0 390.959 3.602 20 30 GHEDRO C=CC1(CC(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000825586757 891200429 /nfs/dbraw/zinc/20/04/29/891200429.db2.gz KRZVGETVNNNMCU-MSOLQXFVSA-N 1 0 393.572 3.521 20 30 GHEDRO c1coc(CCNC(=[NH+]C[C@H]2CCOC2)N2CCSC3(CCCCC3)C2)c1 ZINC000154390991 891954263 /nfs/dbraw/zinc/95/42/63/891954263.db2.gz HJNAYVPYEYZLLF-GOSISDBHSA-N 1 0 391.581 3.556 20 30 GHEDRO CC[N@H+](CC(=O)NCCCOc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599861 891977323 /nfs/dbraw/zinc/97/73/23/891977323.db2.gz MTRDMOULEKDNBG-KRWDZBQOSA-N 1 0 383.467 3.666 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000729809600 892220202 /nfs/dbraw/zinc/22/02/02/892220202.db2.gz MPXWBNJNTNAWBX-KRWDZBQOSA-N 1 0 376.294 3.512 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC001134051148 892221190 /nfs/dbraw/zinc/22/11/90/892221190.db2.gz VKHBLFWHNHLAEO-YOEHRIQHSA-N 1 0 383.414 3.514 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000729809724 892225874 /nfs/dbraw/zinc/22/58/74/892225874.db2.gz OLDFTJZHBKUJST-GGAORHGYSA-N 1 0 387.483 3.635 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CC1 ZINC000874859840 892356014 /nfs/dbraw/zinc/35/60/14/892356014.db2.gz HCMOROSRGXOCCN-CWJKEVGVSA-N 1 0 393.556 3.667 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc4nccnc4c3)C[C@@H]2c2ccccc2)C1=O ZINC001137085778 892472776 /nfs/dbraw/zinc/47/27/76/892472776.db2.gz RVBPXYBVDWUZCR-BWKNWUBXSA-N 1 0 398.510 3.634 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1Br ZINC000497888044 892665908 /nfs/dbraw/zinc/66/59/08/892665908.db2.gz GTYVQESZENPPRH-UHFFFAOYSA-N 1 0 386.293 3.525 20 30 GHEDRO C=CCn1c(C)nn(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1=S ZINC000125486497 892707045 /nfs/dbraw/zinc/70/70/45/892707045.db2.gz LEROIUXSFARDMV-KRWDZBQOSA-N 1 0 377.602 3.843 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508720688 892964502 /nfs/dbraw/zinc/96/45/02/892964502.db2.gz YYIYCLHXELHPDX-IBGZPJMESA-N 1 0 383.540 3.520 20 30 GHEDRO Cc1cc(N2CCC(NC(=O)Nc3ccc(CC#N)cc3Cl)CC2)nc(C)n1 ZINC000455699701 893014221 /nfs/dbraw/zinc/01/42/21/893014221.db2.gz HQZFORATRFAOPF-UHFFFAOYSA-N 1 0 398.898 3.603 20 30 GHEDRO COc1ccc(C#N)cc1C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645295 893039410 /nfs/dbraw/zinc/03/94/10/893039410.db2.gz CDNAMMDZZXOAPH-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000455706381 893062714 /nfs/dbraw/zinc/06/27/14/893062714.db2.gz PTHPXZTWYLSUAW-OAHLLOKOSA-N 1 0 382.895 3.974 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508747614 893155950 /nfs/dbraw/zinc/15/59/50/893155950.db2.gz OMRCQWCVCGLPAF-GOSISDBHSA-N 1 0 392.551 3.704 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccc(CC#N)c1 ZINC000562928237 893178956 /nfs/dbraw/zinc/17/89/56/893178956.db2.gz RYTXJPUTKPFKOJ-UHFFFAOYSA-N 1 0 377.492 3.918 20 30 GHEDRO COCc1nc(Cl)cc(N=NCC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000814976200 893315691 /nfs/dbraw/zinc/31/56/91/893315691.db2.gz KBQGEXAPKGSXKW-UHFFFAOYSA-N 1 0 375.904 3.832 20 30 GHEDRO CN(C)c1ccc(C(N)=[NH+]OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000918185397 893323914 /nfs/dbraw/zinc/32/39/14/893323914.db2.gz KVOWOUXRPAPGFP-UHFFFAOYSA-N 1 0 388.471 3.842 20 30 GHEDRO CN(C)c1ccc(C(N)=[NH+]OCc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000918185618 893324045 /nfs/dbraw/zinc/32/40/45/893324045.db2.gz TXJCJMLLEVKHDC-UHFFFAOYSA-N 1 0 388.471 3.842 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CC2)cc1 ZINC000815008723 893332655 /nfs/dbraw/zinc/33/26/55/893332655.db2.gz LXFZIXYNVDHRRY-OAQYLSRUSA-N 1 0 375.472 3.546 20 30 GHEDRO CN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455793710 893379309 /nfs/dbraw/zinc/37/93/09/893379309.db2.gz SAJLMRBRDGVGCP-KRWDZBQOSA-N 1 0 383.883 3.735 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000876907636 893382283 /nfs/dbraw/zinc/38/22/83/893382283.db2.gz HBPLKYJGPLWFIG-HZPDHXFCSA-N 1 0 392.862 3.789 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000876946650 893399303 /nfs/dbraw/zinc/39/93/03/893399303.db2.gz UOTQWJJAXOPHIU-KURKYZTESA-N 1 0 389.515 3.628 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc(OC)c1OC ZINC000877021246 893440433 /nfs/dbraw/zinc/44/04/33/893440433.db2.gz CTYZNBVLNTWYRI-UHFFFAOYSA-N 1 0 396.531 3.683 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000877074621 893470264 /nfs/dbraw/zinc/47/02/64/893470264.db2.gz CCMIKSRFEVSSHJ-CXAGYDPISA-N 1 0 390.833 3.778 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cc(C#N)cnc3Cl)CCN2C2CC2)c1 ZINC000877167103 893518167 /nfs/dbraw/zinc/51/81/67/893518167.db2.gz NCQODFJVIGHCDE-VQTJNVASSA-N 1 0 382.895 3.683 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)C2=O)cc1 ZINC000877475325 893633188 /nfs/dbraw/zinc/63/31/88/893633188.db2.gz OTGXHLKCZOLJGQ-MRXNPFEDSA-N 1 0 396.903 3.712 20 30 GHEDRO Cn1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C1CCC1 ZINC000498221817 893634598 /nfs/dbraw/zinc/63/45/98/893634598.db2.gz LRZKGEDEUBYODK-UHFFFAOYSA-N 1 0 376.504 3.581 20 30 GHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnc1C(F)F ZINC000934611352 893739116 /nfs/dbraw/zinc/73/91/16/893739116.db2.gz OLGFPZBHBXHOLQ-UHFFFAOYSA-N 1 0 387.434 3.795 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H](CC[NH2+]Cc2cccc(C#N)n2)c2ccccc21 ZINC000877672787 893755322 /nfs/dbraw/zinc/75/53/22/893755322.db2.gz AJCJYZBFNBTQCI-MRXNPFEDSA-N 1 0 378.476 3.972 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)ccc1OC(F)(F)F ZINC000563493477 893821849 /nfs/dbraw/zinc/82/18/49/893821849.db2.gz RMLGKVXDPWBQAE-CZUORRHYSA-N 1 0 396.413 3.843 20 30 GHEDRO Cc1csc([C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)n1 ZINC000877815009 893822449 /nfs/dbraw/zinc/82/24/49/893822449.db2.gz ZRTMASZRSIXRLM-KRWDZBQOSA-N 1 0 378.505 3.613 20 30 GHEDRO CC(C)CN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1cnn(C)c1 ZINC000459576528 893847836 /nfs/dbraw/zinc/84/78/36/893847836.db2.gz DZHHDGVQSGQQNX-QGZVFWFLSA-N 1 0 399.564 3.911 20 30 GHEDRO N#CCCn1cc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c(-c2ccncc2)n1 ZINC000459626262 893922620 /nfs/dbraw/zinc/92/26/20/893922620.db2.gz JJCAEVBCAQABFP-UHFFFAOYSA-N 1 0 393.441 3.811 20 30 GHEDRO C=CC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)CC1CCCCC1 ZINC000069859791 893947553 /nfs/dbraw/zinc/94/75/53/893947553.db2.gz LEQPIEYNTWORCR-UHFFFAOYSA-N 1 0 397.563 3.607 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(N2CCOCC2)c1 ZINC000536862168 893958782 /nfs/dbraw/zinc/95/87/82/893958782.db2.gz HJIUTOWPFZZWTF-GOSISDBHSA-N 1 0 381.545 3.979 20 30 GHEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000459664560 894021519 /nfs/dbraw/zinc/02/15/19/894021519.db2.gz IGDLBGBMQBPQIN-MSOLQXFVSA-N 1 0 395.503 3.998 20 30 GHEDRO CS(=O)(=O)CC1CCC([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000815582233 894022452 /nfs/dbraw/zinc/02/24/52/894022452.db2.gz AUKBYKSANRAEAX-UHFFFAOYSA-N 1 0 388.558 3.980 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@H+](CCCO)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000878168975 894067477 /nfs/dbraw/zinc/06/74/77/894067477.db2.gz GMWNOEPAILUDLY-ZEQRLZLVSA-N 1 0 376.500 3.799 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)ccc1OCC(C)C ZINC000537069253 894291099 /nfs/dbraw/zinc/29/10/99/894291099.db2.gz JIZYIYOPDXKKEU-QGZVFWFLSA-N 1 0 395.503 3.569 20 30 GHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000537076280 894300060 /nfs/dbraw/zinc/30/00/60/894300060.db2.gz YNIWZZOQQSOUEX-WQASXFKFSA-N 1 0 399.535 3.818 20 30 GHEDRO C=CCC(F)(F)C(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000815948707 894352902 /nfs/dbraw/zinc/35/29/02/894352902.db2.gz RMLYWOFWNRDSJD-IAGOWNOFSA-N 1 0 380.479 3.523 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccccc1CC ZINC000022797475 894406709 /nfs/dbraw/zinc/40/67/09/894406709.db2.gz HBCKYGJDCWBYCY-UHFFFAOYSA-O 1 0 375.464 3.919 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000563990534 894408719 /nfs/dbraw/zinc/40/87/19/894408719.db2.gz WXXBPMJABWXHSQ-NOTZXAQLSA-N 1 0 388.515 3.596 20 30 GHEDRO CC(C)Oc1ccccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001137138179 894652293 /nfs/dbraw/zinc/65/22/93/894652293.db2.gz RLEAUDACUPOZPT-XMMPIXPASA-N 1 0 389.499 3.974 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)c(F)c1 ZINC000537302513 894735354 /nfs/dbraw/zinc/73/53/54/894735354.db2.gz ADVDLCHOHXTOPS-CJISVDGZSA-N 1 0 380.423 3.877 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)nc1 ZINC000879025839 894792084 /nfs/dbraw/zinc/79/20/84/894792084.db2.gz KAOSIZRPMLXIPF-IBGZPJMESA-N 1 0 386.293 3.629 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC000879212803 894908618 /nfs/dbraw/zinc/90/86/18/894908618.db2.gz IGMNGZWERSZDDB-LYHRCORUSA-N 1 0 399.535 3.520 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000537407528 894928260 /nfs/dbraw/zinc/92/82/60/894928260.db2.gz QCRDGZXGFDWZAA-SMDDNHRTSA-N 1 0 375.806 3.946 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816563415 894945875 /nfs/dbraw/zinc/94/58/75/894945875.db2.gz XGJPXUMLCFHNIJ-AWEZNQCLSA-N 1 0 382.426 3.902 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000816645030 894990267 /nfs/dbraw/zinc/99/02/67/894990267.db2.gz DSRNTXBIMVQCBU-UHFFFAOYSA-N 1 0 378.472 3.866 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1nc2c(s1)CCCC2)C(C)C ZINC000476060674 895073843 /nfs/dbraw/zinc/07/38/43/895073843.db2.gz FTWRDWWVXOAJQQ-SFHVURJKSA-N 1 0 390.597 3.862 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000888776678 895114921 /nfs/dbraw/zinc/11/49/21/895114921.db2.gz DESBFTUHABSZDX-RDJZCZTQSA-N 1 0 386.565 3.732 20 30 GHEDRO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000879697985 895239843 /nfs/dbraw/zinc/23/98/43/895239843.db2.gz MXZCMKZUBOIUBH-OAHLLOKOSA-N 1 0 377.554 3.796 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000879713559 895251771 /nfs/dbraw/zinc/25/17/71/895251771.db2.gz QFFMZCNOQWKWDM-LSDHHAIUSA-N 1 0 380.423 3.953 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000817021992 895265067 /nfs/dbraw/zinc/26/50/67/895265067.db2.gz DZQVIYMLRBDFFK-HXUWFJFHSA-N 1 0 379.504 3.957 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CCC#N)CC1)c1cccc(OC)c1 ZINC000564889649 895303186 /nfs/dbraw/zinc/30/31/86/895303186.db2.gz CZZLPCFAFYWRLI-NRFANRHFSA-N 1 0 386.540 3.803 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccccc3)C2)sc2c1CCC2 ZINC000564916382 895310223 /nfs/dbraw/zinc/31/02/23/895310223.db2.gz MVRCXYTXQXCCMV-INIZCTEOSA-N 1 0 381.501 3.590 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223199 895579579 /nfs/dbraw/zinc/57/95/79/895579579.db2.gz WULUTQCDUWXFSZ-CDMIOBSGSA-N 1 0 395.528 3.659 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000565506043 895682828 /nfs/dbraw/zinc/68/28/28/895682828.db2.gz ROYKVZLTXUXIKN-HSZRJFAPSA-N 1 0 380.488 3.765 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)ccc2OC(C)C)CC1 ZINC000128476819 895736900 /nfs/dbraw/zinc/73/69/00/895736900.db2.gz HREAFNROBPOKCQ-UHFFFAOYSA-N 1 0 379.298 3.520 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)c1c(C)noc1C ZINC000128478757 895737207 /nfs/dbraw/zinc/73/72/07/895737207.db2.gz PXMPXNAERYDZTL-GFCCVEGCSA-N 1 0 377.282 3.959 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cc(C#N)c(F)cc3F)C2)CC1 ZINC000880715559 895826395 /nfs/dbraw/zinc/82/63/95/895826395.db2.gz VUCKRFQSSIZROK-OAHLLOKOSA-N 1 0 376.451 3.812 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880716571 895828715 /nfs/dbraw/zinc/82/87/15/895828715.db2.gz SNKINALPBYEABA-INIZCTEOSA-N 1 0 384.430 3.822 20 30 GHEDRO C[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001170880721 895921673 /nfs/dbraw/zinc/92/16/73/895921673.db2.gz DVLDQZOZEVCPHW-PKOBYXMFSA-N 1 0 387.524 3.810 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000818424789 896162886 /nfs/dbraw/zinc/16/28/86/896162886.db2.gz TYDMMFSZQFJPLV-OAHLLOKOSA-N 1 0 382.424 3.644 20 30 GHEDRO CC1(c2nc(C3([NH3+])CCCC3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000566215528 896175260 /nfs/dbraw/zinc/17/52/60/896175260.db2.gz GNUOTONHQHNRGN-UHFFFAOYSA-N 1 0 385.899 3.881 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1cccc(C#N)c1 ZINC000881136857 896186931 /nfs/dbraw/zinc/18/69/31/896186931.db2.gz JGTXVZTUPRMUCR-VGOFRKELSA-N 1 0 389.503 3.725 20 30 GHEDRO N#CCc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000881143084 896195305 /nfs/dbraw/zinc/19/53/05/896195305.db2.gz SSTGBBSFPXFCMA-IBGZPJMESA-N 1 0 389.503 3.571 20 30 GHEDRO CSc1ccccc1NC(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000818613688 896217884 /nfs/dbraw/zinc/21/78/84/896217884.db2.gz XNSFAXOXGFJIIB-INIZCTEOSA-N 1 0 399.516 3.623 20 30 GHEDRO N#CCOc1ccc(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000819010838 896325840 /nfs/dbraw/zinc/32/58/40/896325840.db2.gz HIWMOZFBANBCJL-UHFFFAOYSA-N 1 0 377.366 3.726 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001136188442 896380911 /nfs/dbraw/zinc/38/09/11/896380911.db2.gz JPHJFXYAKZELBE-QFIPXVFZSA-N 1 0 375.516 3.582 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)c1 ZINC000819068195 896384937 /nfs/dbraw/zinc/38/49/37/896384937.db2.gz PESVVJXKTUTQNS-SFTDATJTSA-N 1 0 382.504 3.822 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000819068798 896385360 /nfs/dbraw/zinc/38/53/60/896385360.db2.gz SALQDYWEKLQUKU-HKUYNNGSSA-N 1 0 389.293 3.953 20 30 GHEDRO C[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CCN1c1cc[nH+]cc1 ZINC000881632853 896405200 /nfs/dbraw/zinc/40/52/00/896405200.db2.gz FBCDIKQPDLHENX-SFHVURJKSA-N 1 0 387.487 3.691 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000819357833 896600892 /nfs/dbraw/zinc/60/08/92/896600892.db2.gz XFXRQIRMQSFAID-KGLIPLIRSA-N 1 0 388.002 3.828 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000302956576 914083538 /nfs/dbraw/zinc/08/35/38/914083538.db2.gz FTNBDXJOXPLPTI-FQEVSTJZSA-N 1 0 386.417 3.838 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000566892172 896673986 /nfs/dbraw/zinc/67/39/86/896673986.db2.gz FSEZGKBYGYVESX-WBVHZDCISA-N 1 0 394.441 3.691 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000566997172 896779029 /nfs/dbraw/zinc/77/90/29/896779029.db2.gz JSNIJDIDMPDVLV-FQEVSTJZSA-N 1 0 392.421 3.629 20 30 GHEDRO C[C@]1(NC(=O)CSCc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000567171126 896933601 /nfs/dbraw/zinc/93/36/01/896933601.db2.gz WTRPWUMRNXJGRH-QFIPXVFZSA-N 1 0 379.529 3.572 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000567689374 897339727 /nfs/dbraw/zinc/33/97/27/897339727.db2.gz JCPVCAPDUGGHDF-GBXCKJPGSA-N 1 0 394.559 3.970 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCCCC2)[C@H]([C@@H]2CCOC2)C1 ZINC000883235904 897393257 /nfs/dbraw/zinc/39/32/57/897393257.db2.gz NGIATPLXJLNKLQ-QYZOEREBSA-N 1 0 391.556 3.712 20 30 GHEDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000567799705 897406924 /nfs/dbraw/zinc/40/69/24/897406924.db2.gz BLHLDSQIXRNMCH-NRFANRHFSA-N 1 0 382.529 3.907 20 30 GHEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000567892375 897472522 /nfs/dbraw/zinc/47/25/22/897472522.db2.gz UQDJVZNAUSZQGK-UBHSHLNASA-N 1 0 387.705 3.514 20 30 GHEDRO C=CCCC[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000883429803 897578465 /nfs/dbraw/zinc/57/84/65/897578465.db2.gz FPCBVVMXNSXTAC-KNQAVFIVSA-N 1 0 385.552 3.884 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC([NH3+])(CC)CC1 ZINC000883569307 897720313 /nfs/dbraw/zinc/72/03/13/897720313.db2.gz UXQBHVGVHAUGPR-UHFFFAOYSA-N 1 0 382.302 3.749 20 30 GHEDRO N#Cc1ccc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000568358527 897776737 /nfs/dbraw/zinc/77/67/37/897776737.db2.gz DNKHOLVSTSIQHQ-UHFFFAOYSA-N 1 0 384.411 3.561 20 30 GHEDRO CC(C)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(F)F ZINC000883711616 897847055 /nfs/dbraw/zinc/84/70/55/897847055.db2.gz TVLGIOVOWPMBIZ-UHFFFAOYSA-N 1 0 378.467 3.503 20 30 GHEDRO C=C[C@@](C)(O)CC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001136593566 898420292 /nfs/dbraw/zinc/42/02/92/898420292.db2.gz HARWZPQMLLDQOM-XMMPIXPASA-N 1 0 380.532 3.883 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793692 898486986 /nfs/dbraw/zinc/48/69/86/898486986.db2.gz LLBOEFFQZMSQCS-QFIPXVFZSA-N 1 0 385.508 3.790 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4CCc5cccc(F)c5C4)C3)CC2=O)c1 ZINC001170995053 898569649 /nfs/dbraw/zinc/56/96/49/898569649.db2.gz ABCWYRLXDQYHGR-YADARESESA-N 1 0 389.474 3.684 20 30 GHEDRO CSc1ccc(-c2csc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)cc1 ZINC000884055836 898698652 /nfs/dbraw/zinc/69/86/52/898698652.db2.gz BCAWQOGBCRKQLY-BIWSTMPVSA-N 1 0 384.530 3.610 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000569598670 898818329 /nfs/dbraw/zinc/81/83/29/898818329.db2.gz XMNUYRSINGSBBG-LJQANCHMSA-N 1 0 398.551 3.543 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC[C@@H]21 ZINC000289669192 914287993 /nfs/dbraw/zinc/28/79/93/914287993.db2.gz DYTASDSTJZRFEI-IERDGZPVSA-N 1 0 391.475 3.694 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)C2 ZINC000884096843 898860441 /nfs/dbraw/zinc/86/04/41/898860441.db2.gz KHUTYNLBWYARGC-BIWSTMPVSA-N 1 0 378.303 3.624 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1C ZINC000331531079 898962433 /nfs/dbraw/zinc/96/24/33/898962433.db2.gz KTMBLRPUOSTHFG-XGXHKWSGSA-N 1 0 387.499 3.624 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c(-c2ccccc2)n1 ZINC000113320210 898982485 /nfs/dbraw/zinc/98/24/85/898982485.db2.gz TWKGFEONTHVSLB-UHFFFAOYSA-N 1 0 386.503 3.749 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccccc2Sc2cccc(OC)c2)CC1 ZINC000823419025 899041398 /nfs/dbraw/zinc/04/13/98/899041398.db2.gz OQCKKZRTNYAVPZ-UHFFFAOYSA-N 1 0 394.540 3.808 20 30 GHEDRO CC[NH+]1C[C@@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@H](C)C1 ZINC000331645343 899051244 /nfs/dbraw/zinc/05/12/44/899051244.db2.gz VQOIRJSKKDFDSS-IAGOWNOFSA-N 1 0 399.583 3.835 20 30 GHEDRO Cc1cccnc1[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)C ZINC000115841283 899225869 /nfs/dbraw/zinc/22/58/69/899225869.db2.gz VBXHDXGAIFKLAM-OAQYLSRUSA-N 1 0 393.535 3.732 20 30 GHEDRO COCCC[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(Cl)cc1 ZINC000570570649 899399055 /nfs/dbraw/zinc/39/90/55/899399055.db2.gz ZUJSCPTZNVFGBD-KRWDZBQOSA-N 1 0 383.883 3.554 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3[nH]c(C4CCCCC4)nc3c1)C2 ZINC000884229290 899439277 /nfs/dbraw/zinc/43/92/77/899439277.db2.gz MMQIALFBIXVGJN-BXFSZVDSSA-N 1 0 377.492 3.688 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000570675775 899498718 /nfs/dbraw/zinc/49/87/18/899498718.db2.gz ATVZGCVQDKAHGO-CXAGYDPISA-N 1 0 392.956 3.629 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(Sc3ccc(Cl)cc3)CC1)C2 ZINC000884321088 899787949 /nfs/dbraw/zinc/78/79/49/899787949.db2.gz GFJQRLZXIQCLJV-RDYUPDBUSA-N 1 0 389.952 3.562 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000571441649 899870142 /nfs/dbraw/zinc/87/01/42/899870142.db2.gz YHOMUWQYYAPZAP-ZWKOTPCHSA-N 1 0 391.490 3.850 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(C#N)ccc2F)ccc1OC ZINC000824943028 899899677 /nfs/dbraw/zinc/89/96/77/899899677.db2.gz GLURQDXKAMYSIK-UHFFFAOYSA-N 1 0 385.439 3.679 20 30 GHEDRO Cc1ccc2c(C[N@@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c[nH]c2c1 ZINC001136973107 899930348 /nfs/dbraw/zinc/93/03/48/899930348.db2.gz MJUVRJCKCVQPET-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C3(C2)CCOCC3)ccc1C#N ZINC000825025105 899942605 /nfs/dbraw/zinc/94/26/05/899942605.db2.gz YIQQCIFPRXQSCP-HXUWFJFHSA-N 1 0 399.535 3.620 20 30 GHEDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000571798382 899974772 /nfs/dbraw/zinc/97/47/72/899974772.db2.gz WYLJWAHMDLDPGS-RBUKOAKNSA-N 1 0 393.531 3.835 20 30 GHEDRO COc1ccc(Nc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c2)cc1 ZINC000884431394 900076936 /nfs/dbraw/zinc/07/69/36/900076936.db2.gz STHHQSUURWQWIK-BXFSZVDSSA-N 1 0 376.460 3.517 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135322666 900223964 /nfs/dbraw/zinc/22/39/64/900223964.db2.gz IHXCTHGBSNLPDI-HZPDHXFCSA-N 1 0 376.476 3.608 20 30 GHEDRO COc1ccc(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc1C(F)(F)F ZINC001143636236 900257256 /nfs/dbraw/zinc/25/72/56/900257256.db2.gz CZEMEFQDSYTHRR-ZIAGYGMSSA-N 1 0 389.311 3.941 20 30 GHEDRO COC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c(C#N)n1 ZINC000572975438 900326063 /nfs/dbraw/zinc/32/60/63/900326063.db2.gz VAMTULJSFDXYPX-INIZCTEOSA-N 1 0 378.476 3.584 20 30 GHEDRO C=C[C@H](CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)c1ccccc1 ZINC000844163791 900558012 /nfs/dbraw/zinc/55/80/12/900558012.db2.gz YTNWBTPZWAOGRB-QGZVFWFLSA-N 1 0 378.472 3.894 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844308808 900665439 /nfs/dbraw/zinc/66/54/39/900665439.db2.gz BGNIIQAPSWCDOV-ZBFHGGJFSA-N 1 0 388.468 3.592 20 30 GHEDRO CC(C)c1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000136530785 900723603 /nfs/dbraw/zinc/72/36/03/900723603.db2.gz IBYBEQIGSYEMLE-KRWDZBQOSA-O 1 0 383.537 3.662 20 30 GHEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000574126839 900786944 /nfs/dbraw/zinc/78/69/44/900786944.db2.gz GSCUJUUBNIHJJO-RVKKMQEKSA-N 1 0 381.442 3.651 20 30 GHEDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399535 900796329 /nfs/dbraw/zinc/79/63/29/900796329.db2.gz CBVZFEQEGQXMHA-UXPWSPDFSA-N 1 0 387.524 3.607 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC001143956626 900815299 /nfs/dbraw/zinc/81/52/99/900815299.db2.gz YPAAIKYLSJWXQO-UHFFFAOYSA-N 1 0 392.503 3.642 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056159862 900870435 /nfs/dbraw/zinc/87/04/35/900870435.db2.gz UAMNQLWEEHAKHS-HUUCEWRRSA-N 1 0 391.475 3.520 20 30 GHEDRO C=CC[C@H](C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001144022256 900939280 /nfs/dbraw/zinc/93/92/80/900939280.db2.gz YLBBRNUOGQEACB-SFHVURJKSA-N 1 0 383.536 3.928 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000886346887 900944714 /nfs/dbraw/zinc/94/47/14/900944714.db2.gz UDNWKFPVVMOHKQ-HNNXBMFYSA-N 1 0 383.414 3.679 20 30 GHEDRO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)c2)CCO1 ZINC000067976681 901071294 /nfs/dbraw/zinc/07/12/94/901071294.db2.gz DPIGPWVCESISAT-FQEVSTJZSA-N 1 0 392.547 3.547 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)cn2)c1 ZINC000886930023 901332253 /nfs/dbraw/zinc/33/22/53/901332253.db2.gz NZMOARYBLMBTQS-QFIPXVFZSA-N 1 0 391.475 3.743 20 30 GHEDRO C#CCC1([NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CCOCC1 ZINC000887126126 901447708 /nfs/dbraw/zinc/44/77/08/901447708.db2.gz XSFXJYPCAWLFOD-ISKFKSNPSA-N 1 0 393.527 3.624 20 30 GHEDRO C#CCC1([NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CCOCC1 ZINC000887126129 901447790 /nfs/dbraw/zinc/44/77/90/901447790.db2.gz XSFXJYPCAWLFOD-VWNXMTODSA-N 1 0 393.527 3.624 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCOCC1 ZINC000887124607 901447926 /nfs/dbraw/zinc/44/79/26/901447926.db2.gz LPVBEGYAWYEENU-UHFFFAOYSA-N 1 0 375.683 3.747 20 30 GHEDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092707501 901505670 /nfs/dbraw/zinc/50/56/70/901505670.db2.gz GYLNPJJLELGCHP-LJQANCHMSA-N 1 0 393.535 3.592 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2C2CCC2)sc2c1CCC2 ZINC000576093642 901675238 /nfs/dbraw/zinc/67/52/38/901675238.db2.gz HEJKMPQSTZTADK-MRXNPFEDSA-N 1 0 375.563 3.655 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576226743 901841052 /nfs/dbraw/zinc/84/10/52/901841052.db2.gz VGGCDKKHMUXKFC-KRWDZBQOSA-N 1 0 393.457 3.670 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)cc1 ZINC001144356886 901891288 /nfs/dbraw/zinc/89/12/88/901891288.db2.gz QQTLMVJSIBFXJD-SFHVURJKSA-N 1 0 391.393 3.938 20 30 GHEDRO C[NH+](C)CCN(Cc1csc(Br)c1)Cc1ccc(C#N)cc1 ZINC000576385758 901990241 /nfs/dbraw/zinc/99/02/41/901990241.db2.gz HGGAKYUGNBALAQ-UHFFFAOYSA-N 1 0 378.339 3.946 20 30 GHEDRO CCOC(=O)c1cc2c(NC(=[NH2+])c3ccc4cc(O)ccc4c3)[nH]c(C)cc-2n1 ZINC001171177234 902082494 /nfs/dbraw/zinc/08/24/94/902082494.db2.gz KUXIXIMTEUHNCD-UHFFFAOYSA-N 1 0 388.427 3.944 20 30 GHEDRO COc1cc(OC)c(C2OCCO2)cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171184445 902182301 /nfs/dbraw/zinc/18/23/01/902182301.db2.gz KISKDZIKLBQOJE-UHFFFAOYSA-N 1 0 394.427 3.645 20 30 GHEDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000576785814 902262708 /nfs/dbraw/zinc/26/27/08/902262708.db2.gz KPCHNQRUYQKJKN-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1Br ZINC000126902577 902388209 /nfs/dbraw/zinc/38/82/09/902388209.db2.gz PQIALZCCQRUCLA-PXAZEXFGSA-N 1 0 375.266 3.714 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C)c(N4CCCC4)n3)CC2)cc1 ZINC001144569638 902401186 /nfs/dbraw/zinc/40/11/86/902401186.db2.gz VQMVTJQEZMXZNO-UHFFFAOYSA-N 1 0 399.542 3.929 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)cc1 ZINC001144572134 902403611 /nfs/dbraw/zinc/40/36/11/902403611.db2.gz RDZKUJFHUBAIRH-BJKOFHAPSA-N 1 0 376.500 3.651 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000778977664 902431391 /nfs/dbraw/zinc/43/13/91/902431391.db2.gz RQXZZXYDGKFKHI-LSDHHAIUSA-N 1 0 393.915 3.977 20 30 GHEDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008693 902588682 /nfs/dbraw/zinc/58/86/82/902588682.db2.gz WSCYTXWNTPEPLJ-QFIPXVFZSA-N 1 0 394.475 3.622 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000047914828 902614809 /nfs/dbraw/zinc/61/48/09/902614809.db2.gz ZBDJPAQDAVBDTB-UTKZUKDTSA-N 1 0 392.503 3.764 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000047914829 902615170 /nfs/dbraw/zinc/61/51/70/902615170.db2.gz ZBDJPAQDAVBDTB-LAUBAEHRSA-N 1 0 392.503 3.764 20 30 GHEDRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)/C=C/C(=O)c2ccccc2)CC1 ZINC001144710690 902682795 /nfs/dbraw/zinc/68/27/95/902682795.db2.gz RPNRJZMAXDODFC-ZHACJKMWSA-N 1 0 396.462 3.924 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001171211720 902693660 /nfs/dbraw/zinc/69/36/60/902693660.db2.gz HCSVJZWCUWGUOJ-WDJPJFJCSA-N 1 0 391.515 3.725 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@@H+]([C@@H](C)Cc4cccc(C#N)c4)C3)C2=O)c1 ZINC001171217346 902756379 /nfs/dbraw/zinc/75/63/79/902756379.db2.gz OUMCWIKRAUGUHY-CPJSRVTESA-N 1 0 387.527 3.922 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1Cl ZINC000264084168 902832483 /nfs/dbraw/zinc/83/24/83/902832483.db2.gz IOILZBGOFKAMOK-GFCCVEGCSA-N 1 0 393.318 3.861 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000600713533 902835703 /nfs/dbraw/zinc/83/57/03/902835703.db2.gz BQCHJDTXUVPOFR-NRFANRHFSA-N 1 0 390.462 3.823 20 30 GHEDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cc2)cc1 ZINC000600723226 902844711 /nfs/dbraw/zinc/84/47/11/902844711.db2.gz KGJWWGOMPKJPLR-NRFANRHFSA-N 1 0 380.488 3.523 20 30 GHEDRO Cc1cccc(S(=O)(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1C#N ZINC001186591037 914676379 /nfs/dbraw/zinc/67/63/79/914676379.db2.gz MCAUMAMXDRVARN-GOSISDBHSA-N 1 0 397.544 3.809 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001171228822 903010845 /nfs/dbraw/zinc/01/08/45/903010845.db2.gz JIMGLWQEUCFRTI-UTKZUKDTSA-N 1 0 382.529 3.772 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NCCSC)cc1 ZINC000131256476 903075152 /nfs/dbraw/zinc/07/51/52/903075152.db2.gz IXZCPLZEYMTRLN-UHFFFAOYSA-O 1 0 395.520 3.706 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)CC1 ZINC000264422523 903082436 /nfs/dbraw/zinc/08/24/36/903082436.db2.gz UYBVVVGJQXZNFF-UHFFFAOYSA-N 1 0 398.429 3.826 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)ccc1F ZINC000887612212 903138155 /nfs/dbraw/zinc/13/81/55/903138155.db2.gz INFWUOCIILDKCB-UHFFFAOYSA-N 1 0 377.463 3.925 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000264553571 903195167 /nfs/dbraw/zinc/19/51/67/903195167.db2.gz KLWYNOFQUFGBQX-SFHVURJKSA-N 1 0 396.466 3.762 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577792744 903200414 /nfs/dbraw/zinc/20/04/14/903200414.db2.gz YFNWYHNVTKILIQ-NRFANRHFSA-N 1 0 386.503 3.547 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000847018310 903401151 /nfs/dbraw/zinc/40/11/51/903401151.db2.gz MPAUOQHQIOTZGI-VQTJNVASSA-N 1 0 384.863 3.631 20 30 GHEDRO Cc1oc(Nc2cc[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C#N)c1C ZINC001212835035 903421220 /nfs/dbraw/zinc/42/12/20/903421220.db2.gz LYPBYGDZRQKSGV-UHFFFAOYSA-N 1 0 397.479 3.964 20 30 GHEDRO N#CC1(Nc2ncccc2C2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001171274498 903467044 /nfs/dbraw/zinc/46/70/44/903467044.db2.gz ASVQVVBQCSBNTC-UHFFFAOYSA-N 1 0 376.504 3.946 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2cccc(C)c2)c1 ZINC000134135276 903471398 /nfs/dbraw/zinc/47/13/98/903471398.db2.gz UIHGUJBNZHMUCX-LJQANCHMSA-O 1 0 397.564 3.997 20 30 GHEDRO COc1c(F)cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001171276612 903521206 /nfs/dbraw/zinc/52/12/06/903521206.db2.gz FYPNXZKQAVBKFR-UHFFFAOYSA-N 1 0 384.411 3.713 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC000887703559 903529363 /nfs/dbraw/zinc/52/93/63/903529363.db2.gz XUGIDGLOPZZOEV-UHFFFAOYSA-N 1 0 388.515 3.884 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001146419615 903533392 /nfs/dbraw/zinc/53/33/92/903533392.db2.gz MVNMJKMFYXJGFZ-OALUTQOASA-N 1 0 395.588 3.864 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]2CC[N@H+](C1)[C@H]2C ZINC001146431484 903539126 /nfs/dbraw/zinc/53/91/26/903539126.db2.gz JOPDSVYRQFIWSJ-MANSERQUSA-N 1 0 393.572 3.615 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779050660 903542027 /nfs/dbraw/zinc/54/20/27/903542027.db2.gz WRWFBDDINGGHPF-AZUAARDMSA-N 1 0 377.488 3.731 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134771808 903568852 /nfs/dbraw/zinc/56/88/52/903568852.db2.gz YBJHAWMIFCEVDE-CTNGQTDRSA-N 1 0 381.451 3.614 20 30 GHEDRO CCc1ccc([C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)N(CC)CC)cc1 ZINC000578199631 903606683 /nfs/dbraw/zinc/60/66/83/903606683.db2.gz QGZAIHSPABFFAV-QFIPXVFZSA-N 1 0 375.520 3.941 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N2CCC(CCC#N)CC2)[NH+]2CCCC2)c1 ZINC000578233578 903638926 /nfs/dbraw/zinc/63/89/26/903638926.db2.gz DHXLYKSYYRQAFK-OAQYLSRUSA-N 1 0 384.524 3.557 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC001146918974 903651434 /nfs/dbraw/zinc/65/14/34/903651434.db2.gz GLJQJSXWPSALOO-OAQYLSRUSA-N 1 0 399.922 3.616 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2cccc(OCC#N)c2)[NH+]2CCCC2)cc1 ZINC000048517315 903731837 /nfs/dbraw/zinc/73/18/37/903731837.db2.gz PQBZAXKVVGTZIY-NRFANRHFSA-N 1 0 394.475 3.556 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153568560 904377967 /nfs/dbraw/zinc/37/79/67/904377967.db2.gz XLCRFKIKVSGYRS-UGKGYDQZSA-N 1 0 381.520 3.583 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030857 904388247 /nfs/dbraw/zinc/38/82/47/904388247.db2.gz WGZGPWHMPRNYKU-LBPRGKRZSA-N 1 0 390.256 3.967 20 30 GHEDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000159952971 904396166 /nfs/dbraw/zinc/39/61/66/904396166.db2.gz CPNWXYUCSFLHMM-PGRDOPGGSA-N 1 0 397.494 3.825 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2C2CC2)cc1 ZINC000579366943 904545824 /nfs/dbraw/zinc/54/58/24/904545824.db2.gz ZJOGBEAKHFZBCQ-WIYYLYMNSA-N 1 0 388.519 3.605 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000579411555 904576205 /nfs/dbraw/zinc/57/62/05/904576205.db2.gz RISVLQYMOWRBOO-MSOLQXFVSA-N 1 0 376.508 3.558 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171539377 904764582 /nfs/dbraw/zinc/76/45/82/904764582.db2.gz MMFDHRHWDIMLCB-AOMKIAJQSA-N 1 0 392.465 3.994 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000889836854 904791786 /nfs/dbraw/zinc/79/17/86/904791786.db2.gz ZJDVSOFIXYBZFW-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000779159989 904938171 /nfs/dbraw/zinc/93/81/71/904938171.db2.gz BXPQLOWHWBUGKF-CRAIPNDOSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC001171847287 905096483 /nfs/dbraw/zinc/09/64/83/905096483.db2.gz LAZXLSAATLYYTK-ROUUACIJSA-N 1 0 395.503 3.825 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000173885482 905155609 /nfs/dbraw/zinc/15/56/09/905155609.db2.gz LXIRMDTWUDICQX-CVEARBPZSA-N 1 0 396.466 3.770 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)cc1OC ZINC000174110220 905203746 /nfs/dbraw/zinc/20/37/46/905203746.db2.gz MEJAQRFOORMKJD-INIZCTEOSA-N 1 0 393.487 3.531 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1C#N ZINC000174355316 905259296 /nfs/dbraw/zinc/25/92/96/905259296.db2.gz CIZWGXAWAQUYON-UHFFFAOYSA-N 1 0 391.265 3.636 20 30 GHEDRO C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000174429656 905270191 /nfs/dbraw/zinc/27/01/91/905270191.db2.gz WXHXJIYQXDBEIH-GOSISDBHSA-N 1 0 387.487 3.705 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1ccccc1C#N)C2 ZINC001172093482 905316071 /nfs/dbraw/zinc/31/60/71/905316071.db2.gz HHAFQTBFOXLJSW-REPLKXPHSA-N 1 0 385.508 3.847 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCc2ccccc2OC1)c1cccc(Cl)c1 ZINC000801575197 921143575 /nfs/dbraw/zinc/14/35/75/921143575.db2.gz HUWMDVGWIDEOEJ-SFHVURJKSA-N 1 0 383.879 3.570 20 30 GHEDRO COC(=O)c1cc(Br)ccc1C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301726 905454646 /nfs/dbraw/zinc/45/46/46/905454646.db2.gz VQFMEGMIJJHMDD-ZDUSSCGKSA-N 1 0 387.277 3.828 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC001172306230 905460788 /nfs/dbraw/zinc/46/07/88/905460788.db2.gz CCWLUWHTTYUNFV-LJQANCHMSA-N 1 0 387.527 3.786 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC001172306211 905460880 /nfs/dbraw/zinc/46/08/80/905460880.db2.gz CBOOEBGXHWCQJR-CVDCTZTESA-N 1 0 387.527 3.970 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001172308264 905465069 /nfs/dbraw/zinc/46/50/69/905465069.db2.gz MAQVGQPRLQQNHC-LJQANCHMSA-N 1 0 388.515 3.513 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001172310167 905467134 /nfs/dbraw/zinc/46/71/34/905467134.db2.gz WYTKWRQCPZLKFD-LWZKNFMGSA-N 1 0 398.547 3.554 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)N(c1cc(C(F)(F)F)ncn1)C1CC[NH2+]CC1 ZINC001172312013 905468874 /nfs/dbraw/zinc/46/88/74/905468874.db2.gz DKSCHJMFVOETJG-CQSZACIVSA-N 1 0 389.425 3.557 20 30 GHEDRO COC(=O)c1cccc(CNC2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172312996 905469356 /nfs/dbraw/zinc/46/93/56/905469356.db2.gz NKSSSARDTOZXDC-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001172314878 905470960 /nfs/dbraw/zinc/47/09/60/905470960.db2.gz MFJVGSHDDBYEHG-SFHVURJKSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172314895 905471284 /nfs/dbraw/zinc/47/12/84/905471284.db2.gz MFWXGDKMGHTUHN-SFHVURJKSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001172290896 905480356 /nfs/dbraw/zinc/48/03/56/905480356.db2.gz UGIJICALILKSAX-YLJYHZDGSA-N 1 0 399.535 3.637 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001172356849 905526608 /nfs/dbraw/zinc/52/66/08/905526608.db2.gz YTMVPIYCXCXNAI-XRXFAXGQSA-N 1 0 390.572 3.521 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000801580440 921154831 /nfs/dbraw/zinc/15/48/31/921154831.db2.gz JURVOICITMBWFE-FQEVSTJZSA-N 1 0 385.305 3.847 20 30 GHEDRO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+]3CCC4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521831 905581488 /nfs/dbraw/zinc/58/14/88/905581488.db2.gz GVMKVKFAQDCGHO-JYAXBFRTSA-N 1 0 396.556 3.592 20 30 GHEDRO C[C@@H](CCCC#N)[N@@H+]1CCc2c(c(COc3ccccn3)nn2CC2CC2)C1 ZINC001172499894 905599862 /nfs/dbraw/zinc/59/98/62/905599862.db2.gz VHVSJGIYCBTRSS-KRWDZBQOSA-N 1 0 379.508 3.708 20 30 GHEDRO C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172563856 905627772 /nfs/dbraw/zinc/62/77/72/905627772.db2.gz PPFPCGMJJZFUGO-AOHZBQACSA-N 1 0 381.564 3.506 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Br)cc1Cl ZINC000176325806 905819594 /nfs/dbraw/zinc/81/95/94/905819594.db2.gz XVPLZKRCVHSATO-UHFFFAOYSA-N 1 0 387.709 3.802 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCC[C@@H](C(=O)OC)CC1)CC2 ZINC001172782675 905823330 /nfs/dbraw/zinc/82/33/30/905823330.db2.gz PHFBMZHVFVQCAI-MOPGFXCFSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@H](C)Cc1c(F)cccc1Cl)CC2 ZINC001172851520 905907063 /nfs/dbraw/zinc/90/70/63/905907063.db2.gz RBHGXNZIXLCBHA-CQSZACIVSA-N 1 0 377.891 3.905 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2)C2(O)CCC2)C[C@H]1C#N ZINC001172981956 906047366 /nfs/dbraw/zinc/04/73/66/906047366.db2.gz QSHFOLKBQZZGBW-FHWLQOOXSA-N 1 0 385.508 3.524 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)[C@H](O)c1ccc(Cl)cc1 ZINC001172981192 906047738 /nfs/dbraw/zinc/04/77/38/906047738.db2.gz KMAJXIWQGSJBLO-NBMRYCAZSA-N 1 0 393.915 3.643 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)C[C@H]1C#N ZINC001172987376 906051218 /nfs/dbraw/zinc/05/12/18/906051218.db2.gz XZGBRXJNRXIPJS-BBWFWOEESA-N 1 0 394.519 3.921 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C2 ZINC001172958659 906065352 /nfs/dbraw/zinc/06/53/52/906065352.db2.gz MMYYKIDKECLUKJ-XQBPLPMBSA-N 1 0 396.572 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccccc2)CC(C)(C)O)C[C@H]1C#N ZINC001172991011 906102072 /nfs/dbraw/zinc/10/20/72/906102072.db2.gz TZWNBCLHDOWLNX-MOPGFXCFSA-N 1 0 387.524 3.551 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3CCc4ncsc4C3)cc(C#N)c21 ZINC001173141439 906228586 /nfs/dbraw/zinc/22/85/86/906228586.db2.gz PWBPBWBGBQYWDC-UGSOOPFHSA-N 1 0 378.501 3.708 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(Cl)c(C#N)c2)c1F ZINC001173180726 906260163 /nfs/dbraw/zinc/26/01/63/906260163.db2.gz SMCRTXQFABDYAU-NSHDSACASA-N 1 0 377.803 3.988 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2CC ZINC001173228481 906310662 /nfs/dbraw/zinc/31/06/62/906310662.db2.gz YDHSFDRIQSTBFB-AGHHOFFYSA-N 1 0 385.508 3.947 20 30 GHEDRO N#CCC1CCC([NH2+]CCNC(=O)c2ncsc2-c2cccc(F)c2)CC1 ZINC001173333734 906377021 /nfs/dbraw/zinc/37/70/21/906377021.db2.gz QBIPBMLJMVKJTG-UHFFFAOYSA-N 1 0 386.496 3.741 20 30 GHEDRO C=CCOC1CCC([NH2+]C2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC1 ZINC001173317362 906389060 /nfs/dbraw/zinc/38/90/60/906389060.db2.gz GLGWVYCHWUBGFK-UHFFFAOYSA-N 1 0 384.446 3.568 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)CC1 ZINC001173320381 906390831 /nfs/dbraw/zinc/39/08/31/906390831.db2.gz HFNYFQZRDDQJAD-OBFZPWGMSA-N 1 0 394.556 3.602 20 30 GHEDRO N#Cc1ccccc1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173384184 906412996 /nfs/dbraw/zinc/41/29/96/906412996.db2.gz ZWDZKBQFRDDXPM-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000179018113 906416408 /nfs/dbraw/zinc/41/64/08/906416408.db2.gz DOEYKPCTXGHVOY-MRXNPFEDSA-N 1 0 393.491 3.699 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001173416208 906445406 /nfs/dbraw/zinc/44/54/06/906445406.db2.gz UJFUYMYZLBTJDB-UHFFFAOYSA-N 1 0 397.906 3.875 20 30 GHEDRO CCOc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173425072 906460348 /nfs/dbraw/zinc/46/03/48/906460348.db2.gz NQOQJFDHYQJKLU-QGZVFWFLSA-N 1 0 377.488 3.912 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC001173426356 906461705 /nfs/dbraw/zinc/46/17/05/906461705.db2.gz WUPQFWUECSXLCQ-XMMPIXPASA-N 1 0 396.494 3.937 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCCCOc3ccccc3)CC2)cc1 ZINC001173429966 906466689 /nfs/dbraw/zinc/46/66/89/906466689.db2.gz ZMTUZWSZDZAGKW-UHFFFAOYSA-N 1 0 377.488 3.612 20 30 GHEDRO COc1c(F)cccc1[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429518 906466756 /nfs/dbraw/zinc/46/67/56/906466756.db2.gz YNLVNFFLXCNWBN-OAHLLOKOSA-N 1 0 381.451 3.661 20 30 GHEDRO Cc1nc(Cn2c(=O)ccc3c2CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C3)cs1 ZINC001173586782 906545087 /nfs/dbraw/zinc/54/50/87/906545087.db2.gz GQJTZFMEAADFEH-DKTYTTGXSA-N 1 0 396.560 3.581 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](N2CCC([NH2+]C3CCC(C)(C#N)CC3)CC2)C1 ZINC001173591711 906546711 /nfs/dbraw/zinc/54/67/11/906546711.db2.gz QKAWKLNBMUSKPE-IMYXXEESSA-N 1 0 390.572 3.522 20 30 GHEDRO COc1ccc(CN2CC[C@]3(CCC[N@@H+](C4CCC(C)(C#N)CC4)C3)C2=O)cc1 ZINC001173595441 906548259 /nfs/dbraw/zinc/54/82/59/906548259.db2.gz PBQMDFUKHXFUDH-BOYUCYPVSA-N 1 0 395.547 3.982 20 30 GHEDRO CCn1ncc2c1C[N@@H+](C1CCC(C)(C#N)CC1)C[C@@H]2COc1cccnc1 ZINC001173595290 906549030 /nfs/dbraw/zinc/54/90/30/906549030.db2.gz NTGFROUCQKECJO-PDDLGQBUSA-N 1 0 379.508 3.749 20 30 GHEDRO CN(C)CC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CCC(C)(C#N)CC1 ZINC001173596917 906550537 /nfs/dbraw/zinc/55/05/37/906550537.db2.gz HSDMXRJIAGLQNK-UHFFFAOYSA-N 1 0 392.588 3.722 20 30 GHEDRO CN(C)CC[N@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173597266 906551699 /nfs/dbraw/zinc/55/16/99/906551699.db2.gz NUPNOYNUDLCJBT-GSVIPDFHSA-N 1 0 392.588 3.722 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](CC(=O)OCC)C1)[C@@H]2CC ZINC001173637339 906588274 /nfs/dbraw/zinc/58/82/74/906588274.db2.gz AXFWIQSLLHURJJ-YXTQBTIXSA-N 1 0 376.541 3.530 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001173733682 906673580 /nfs/dbraw/zinc/67/35/80/906673580.db2.gz DXEYOOORHBAYDZ-HTAPYJJXSA-N 1 0 378.472 3.819 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)c1ccccc1 ZINC000180044255 906673887 /nfs/dbraw/zinc/67/38/87/906673887.db2.gz FGUWFSSJGXZSDY-OAHLLOKOSA-N 1 0 397.500 3.877 20 30 GHEDRO C#CCCC1(CC[NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)N=N1 ZINC001173778291 906703207 /nfs/dbraw/zinc/70/32/07/906703207.db2.gz VIIUQIGORHMXJX-UHFFFAOYSA-N 1 0 376.863 3.639 20 30 GHEDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000779395615 906704960 /nfs/dbraw/zinc/70/49/60/906704960.db2.gz USYSGVIQAXKKOI-IAGOWNOFSA-N 1 0 382.476 3.748 20 30 GHEDRO C[NH+](C)Cc1ccccc1Nc1ccc(C#N)cc1I ZINC001173932594 906755609 /nfs/dbraw/zinc/75/56/09/906755609.db2.gz TXSKTVWHWUJRLT-UHFFFAOYSA-N 1 0 377.229 3.968 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Cc1ccccc1CC#N)[NH+]1CCCCC1 ZINC000777363807 906824948 /nfs/dbraw/zinc/82/49/48/906824948.db2.gz JICAOZOHVWTCQD-QFIPXVFZSA-N 1 0 391.515 3.647 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180871911 906867162 /nfs/dbraw/zinc/86/71/62/906867162.db2.gz BQXHOOOISKQJTA-ITZAQCPESA-N 1 0 396.516 3.604 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000181571606 907027964 /nfs/dbraw/zinc/02/79/64/907027964.db2.gz DQKPRXCCCMQQRT-YOEHRIQHSA-N 1 0 394.393 3.698 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 ZINC000182523397 907220550 /nfs/dbraw/zinc/22/05/50/907220550.db2.gz QVUWUIXENMPWEY-GOSISDBHSA-N 1 0 392.503 3.859 20 30 GHEDRO C=C(C)[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000773473340 907431267 /nfs/dbraw/zinc/43/12/67/907431267.db2.gz BEZQQTGEAFZWPV-FXAWDEMLSA-N 1 0 393.478 3.525 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1c(F)cc(C#N)cc1F ZINC001175256057 907471012 /nfs/dbraw/zinc/47/10/12/907471012.db2.gz SFADFOOYPFEWDX-GOSISDBHSA-N 1 0 383.442 3.963 20 30 GHEDRO COc1cncc(N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)c1 ZINC001175382648 907530106 /nfs/dbraw/zinc/53/01/06/907530106.db2.gz TXCNROIKZOBQFI-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC2(CCOCc3ccccc3)CC2)cc1OC ZINC000184647281 907628829 /nfs/dbraw/zinc/62/88/29/907628829.db2.gz LXNQTPPCZQQFBV-UHFFFAOYSA-N 1 0 383.492 3.818 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3cccc(C#N)c3F)C2)O1 ZINC001175686497 907693220 /nfs/dbraw/zinc/69/32/20/907693220.db2.gz FSDSQVNNNZJILZ-MBSDFSHPSA-N 1 0 379.479 3.563 20 30 GHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000779626280 907966942 /nfs/dbraw/zinc/96/69/42/907966942.db2.gz CIONNPVEXXWDQL-UHFFFAOYSA-N 1 0 379.382 3.950 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187849234 908147493 /nfs/dbraw/zinc/14/74/93/908147493.db2.gz DSXIUVKFCMFAKT-UHFFFAOYSA-N 1 0 394.475 3.503 20 30 GHEDRO CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176687722 908212210 /nfs/dbraw/zinc/21/22/10/908212210.db2.gz LXPQUIJNNOMXIJ-GARJFASQSA-N 1 0 383.323 3.886 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC001176814196 908264458 /nfs/dbraw/zinc/26/44/58/908264458.db2.gz LKYWYQZTKMZOOT-GCJKJVERSA-N 1 0 385.508 3.706 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](C[C@H](O)c3cccc(C#N)c3)C[C@@H]1CCCC2 ZINC001177021924 908367210 /nfs/dbraw/zinc/36/72/10/908367210.db2.gz IUZMHNRXFXRZCG-JTAQYXEDSA-N 1 0 399.535 3.609 20 30 GHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 ZINC001177450142 908574546 /nfs/dbraw/zinc/57/45/46/908574546.db2.gz XOOVZVWCBWTEID-UYAOXDASSA-N 1 0 395.526 3.777 20 30 GHEDRO Cc1nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)nc2ccccc12 ZINC000193661694 908605982 /nfs/dbraw/zinc/60/59/82/908605982.db2.gz ALLPCROMWPAFMY-UHFFFAOYSA-N 1 0 375.476 3.766 20 30 GHEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191814257 908677633 /nfs/dbraw/zinc/67/76/33/908677633.db2.gz QYKYSRDTGVLRPM-HNNXBMFYSA-N 1 0 388.313 3.873 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634373921 908695416 /nfs/dbraw/zinc/69/54/16/908695416.db2.gz WKVKIHQQRUSLMX-UHFFFAOYSA-N 1 0 397.567 3.882 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192139874 908727991 /nfs/dbraw/zinc/72/79/91/908727991.db2.gz DDUCHEQIJRQCKK-SJLPKXTDSA-N 1 0 391.443 3.573 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000801733386 921434275 /nfs/dbraw/zinc/43/42/75/921434275.db2.gz FFPXZQRZMWGADB-SCLBCKFNSA-N 1 0 375.266 3.563 20 30 GHEDRO N#CC(CC[NH+]1CCC(NC(=O)C2CC2)CC1)(c1ccccc1)c1ccccc1 ZINC000193042687 908846385 /nfs/dbraw/zinc/84/63/85/908846385.db2.gz RFUNUTZFWRBEAB-UHFFFAOYSA-N 1 0 387.527 3.877 20 30 GHEDRO C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000193127523 908852591 /nfs/dbraw/zinc/85/25/91/908852591.db2.gz FHODUBRKQKJYBA-OAQYLSRUSA-N 1 0 391.559 3.663 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)C1 ZINC000194158566 908861229 /nfs/dbraw/zinc/86/12/29/908861229.db2.gz RGZFGMPQHIAOID-SFHVURJKSA-N 1 0 377.488 3.751 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000266291912 909065792 /nfs/dbraw/zinc/06/57/92/909065792.db2.gz WWKYNNFKIGWCJR-UHFFFAOYSA-N 1 0 390.409 3.541 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000266504618 909199796 /nfs/dbraw/zinc/19/97/96/909199796.db2.gz FXZHTLICMNEIOR-GOSISDBHSA-N 1 0 397.548 3.801 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)nc1 ZINC001178854978 909263615 /nfs/dbraw/zinc/26/36/15/909263615.db2.gz BFXTXSXYTJFQGM-UHFFFAOYSA-N 1 0 375.382 3.836 20 30 GHEDRO N#Cc1ccc(NCC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1 ZINC001179371959 909511823 /nfs/dbraw/zinc/51/18/23/909511823.db2.gz REYUXXLYERQUJX-UHFFFAOYSA-N 1 0 388.515 3.584 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC001179579158 909589552 /nfs/dbraw/zinc/58/95/52/909589552.db2.gz LNPXNXHIZLFUFW-XMMPIXPASA-N 1 0 384.527 3.786 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000245950596 910018265 /nfs/dbraw/zinc/01/82/65/910018265.db2.gz AYXNSJOEPQMDPN-FCHUYYIVSA-N 1 0 378.497 3.889 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)C1CCN(c2ccccc2C#N)CC1 ZINC001180505821 910216675 /nfs/dbraw/zinc/21/66/75/910216675.db2.gz FXAXRYJQYLDWEV-NRFANRHFSA-N 1 0 388.515 3.910 20 30 GHEDRO N#Cc1cc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1F ZINC001181182743 910595591 /nfs/dbraw/zinc/59/55/91/910595591.db2.gz PSAKIMOXTUSHIP-SFTDATJTSA-N 1 0 391.490 3.610 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001181200139 910608657 /nfs/dbraw/zinc/60/86/57/910608657.db2.gz DNBRERJCEXYLQZ-UHFFFAOYSA-N 1 0 390.418 3.725 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000246852936 910705940 /nfs/dbraw/zinc/70/59/40/910705940.db2.gz CQOLILUNLSYXLR-VQTJNVASSA-N 1 0 397.592 3.949 20 30 GHEDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1O ZINC000271197692 910813712 /nfs/dbraw/zinc/81/37/12/910813712.db2.gz VGKAGSLHXJYLPY-UHFFFAOYSA-N 1 0 379.460 3.513 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1OCCCC#N ZINC000271334050 910864993 /nfs/dbraw/zinc/86/49/93/910864993.db2.gz NLGSJNJFPPBICF-GOSISDBHSA-N 1 0 395.507 3.753 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@H+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000801913064 921618172 /nfs/dbraw/zinc/61/81/72/921618172.db2.gz OFOPDXTYNWMMCG-IBGZPJMESA-N 1 0 399.535 3.575 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CCO)c2ccccc2)sc2c1CCCC2 ZINC000271644113 911000034 /nfs/dbraw/zinc/00/00/34/911000034.db2.gz HVABKIPFRRDWAP-GOSISDBHSA-N 1 0 383.517 3.540 20 30 GHEDRO CCCCCCCCOCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000271679156 911011642 /nfs/dbraw/zinc/01/16/42/911011642.db2.gz CGBJTVBNICSLGW-UHFFFAOYSA-N 1 0 376.541 3.959 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000366484099 921645416 /nfs/dbraw/zinc/64/54/16/921645416.db2.gz ZYWLNBRDFGDDEI-QFBILLFUSA-N 1 0 385.508 3.857 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000092092286 911396880 /nfs/dbraw/zinc/39/68/80/911396880.db2.gz VSEGSRCFXWBXKH-PKOBYXMFSA-N 1 0 378.438 3.803 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000283459109 911516060 /nfs/dbraw/zinc/51/60/60/911516060.db2.gz JCCXDBUHUXYSGO-RBUKOAKNSA-N 1 0 380.540 3.617 20 30 GHEDRO C[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1 ZINC000284100877 911753815 /nfs/dbraw/zinc/75/38/15/911753815.db2.gz RZXOAWGEEIEENR-QGZVFWFLSA-N 1 0 392.503 3.592 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCC#Cc2ccccc2)c2cccs2)CC1 ZINC000642104584 911757863 /nfs/dbraw/zinc/75/78/63/911757863.db2.gz FQSNKMJYEBFCJU-FQEVSTJZSA-N 1 0 381.545 3.872 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3nccn3Cc3ccccc3)CC2)nc1 ZINC000092854183 911863563 /nfs/dbraw/zinc/86/35/63/911863563.db2.gz FFDVVLWKIFVFBB-UHFFFAOYSA-N 1 0 387.487 3.678 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2OC)C(=S)NC2(C)CC2)cc1 ZINC000284519665 911905939 /nfs/dbraw/zinc/90/59/39/911905939.db2.gz UNHSZDJOMWXYTD-UHFFFAOYSA-O 1 0 383.537 3.934 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000285206869 912207521 /nfs/dbraw/zinc/20/75/21/912207521.db2.gz TVFLAIHSPGLHEZ-UHFFFAOYSA-N 1 0 379.891 3.875 20 30 GHEDRO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCc2sccc2C1 ZINC000303874873 915234228 /nfs/dbraw/zinc/23/42/28/915234228.db2.gz HLIDDPHJRBNVOX-GFCCVEGCSA-N 1 0 398.454 3.820 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000303891615 915299419 /nfs/dbraw/zinc/29/94/19/915299419.db2.gz NEHVCGCDXIEXIJ-FQEVSTJZSA-N 1 0 386.927 3.757 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1C ZINC000303981694 915347732 /nfs/dbraw/zinc/34/77/32/915347732.db2.gz PHWUEWFFAKZIDQ-FQEVSTJZSA-N 1 0 386.927 3.757 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000303989657 915350148 /nfs/dbraw/zinc/35/01/48/915350148.db2.gz XUHSQQQNYFZFKE-HXUWFJFHSA-N 1 0 386.927 3.757 20 30 GHEDRO CCN(CC)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1cccc(OC)c1 ZINC000304479032 915517093 /nfs/dbraw/zinc/51/70/93/915517093.db2.gz IUICZDNHELXXDL-LEWJYISDSA-N 1 0 396.535 3.506 20 30 GHEDRO CC(C)c1ccc(C(=O)C(C(=S)NC2CCC2)[n+]2cccc(CO)c2)cc1 ZINC000292343803 915627676 /nfs/dbraw/zinc/62/76/76/915627676.db2.gz PDBAYBQLLLEKJT-UHFFFAOYSA-O 1 0 383.537 3.671 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC2CCC2)cc1 ZINC000292416928 915667422 /nfs/dbraw/zinc/66/74/22/915667422.db2.gz ZKTXMZZFXPNUBN-UHFFFAOYSA-O 1 0 388.944 3.774 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCc2ccc(Br)cc2F)cc1 ZINC000304752206 915670323 /nfs/dbraw/zinc/67/03/23/915670323.db2.gz KAGBVFVIFCWJRV-UHFFFAOYSA-N 1 0 380.261 3.956 20 30 GHEDRO N#CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3Cl)C2)C1=O ZINC001275654594 915675941 /nfs/dbraw/zinc/67/59/41/915675941.db2.gz VDNKCIUIBGPJIT-LJQANCHMSA-N 1 0 394.302 3.638 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2csc(CCc3ccccc3)n2)c1 ZINC000304808339 915722090 /nfs/dbraw/zinc/72/20/90/915722090.db2.gz HNXUSYRRFZUEMO-UHFFFAOYSA-N 1 0 396.516 3.872 20 30 GHEDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)cc1Cl ZINC001275662339 915756198 /nfs/dbraw/zinc/75/61/98/915756198.db2.gz LSTOYVWHVMNFSD-QZTJIDSGSA-N 1 0 375.900 3.608 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1C ZINC000305138502 915945078 /nfs/dbraw/zinc/94/50/78/915945078.db2.gz LSEDTWHXLBWTLY-INIZCTEOSA-N 1 0 395.425 3.780 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)C1 ZINC000293559192 916267117 /nfs/dbraw/zinc/26/71/17/916267117.db2.gz LZPAGVXLHXZQIE-XJKSGUPXSA-N 1 0 381.289 3.962 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@]1(C#N)CC13CCCC3)c1ccccc1O2 ZINC000294624061 916896519 /nfs/dbraw/zinc/89/65/19/916896519.db2.gz WRNHGVYRUVBPBL-FDDCHVKYSA-N 1 0 379.504 3.565 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCc3ccccc3Br)CC2)C1=O ZINC001275757356 916943582 /nfs/dbraw/zinc/94/35/82/916943582.db2.gz RLPZJBXIEJMGRW-FQEVSTJZSA-N 1 0 391.353 3.882 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccn2)CCO3)cc1 ZINC001190217156 917202849 /nfs/dbraw/zinc/20/28/49/917202849.db2.gz MUKRGQYPYONJKQ-UHFFFAOYSA-N 1 0 391.515 3.712 20 30 GHEDRO C=CCN(C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000362340292 917220164 /nfs/dbraw/zinc/22/01/64/917220164.db2.gz KQWZFXPGTHDVHH-FQEVSTJZSA-N 1 0 379.508 3.821 20 30 GHEDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000775372443 917232713 /nfs/dbraw/zinc/23/27/13/917232713.db2.gz AVJPKEWPFJQPSJ-HUUCEWRRSA-N 1 0 399.516 3.942 20 30 GHEDRO C=CCCS(=O)(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001190613204 917447737 /nfs/dbraw/zinc/44/77/37/917447737.db2.gz UZOWVRWCBHFTBL-OAQYLSRUSA-N 1 0 378.582 3.557 20 30 GHEDRO CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccn4c[nH+]cc4c3)c(C#N)c21 ZINC001151894551 917598070 /nfs/dbraw/zinc/59/80/70/917598070.db2.gz AEBGGCABIZHBMW-AWEZNQCLSA-N 1 0 394.456 3.503 20 30 GHEDRO C=CC[C@@H]1CC[C@@H](Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)C1 ZINC000651655861 917686999 /nfs/dbraw/zinc/68/69/99/917686999.db2.gz LAPBAELMJADHID-IAGOWNOFSA-N 1 0 375.488 3.643 20 30 GHEDRO CCCCCCCCNC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001191054962 917727662 /nfs/dbraw/zinc/72/76/62/917727662.db2.gz FQCFJOBHGAVVCE-IBGZPJMESA-N 1 0 395.588 3.796 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC001191174901 917831551 /nfs/dbraw/zinc/83/15/51/917831551.db2.gz QXLQHSWWEKSWJC-IBGZPJMESA-N 1 0 378.447 3.731 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC3CC[NH+](C4CCC4)CC3)s2)cc1 ZINC000296239371 918032970 /nfs/dbraw/zinc/03/29/70/918032970.db2.gz GULSUDYEESZKLQ-UHFFFAOYSA-N 1 0 395.532 3.744 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000363306439 918063271 /nfs/dbraw/zinc/06/32/71/918063271.db2.gz YETJIIUKGUFNBW-UHFFFAOYSA-N 1 0 394.475 3.729 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000296381816 918209508 /nfs/dbraw/zinc/20/95/08/918209508.db2.gz FTUHKOKHDAIPKP-FJXLLPKBSA-N 1 0 392.906 3.853 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000653663835 918398123 /nfs/dbraw/zinc/39/81/23/918398123.db2.gz OYMPEPJPBWNKBJ-RTBURBONSA-N 1 0 377.895 3.572 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001192256569 918543123 /nfs/dbraw/zinc/54/31/23/918543123.db2.gz SACNPJNACGNPAS-UWJYYQICSA-N 1 0 377.488 3.549 20 30 GHEDRO N#Cc1ccc(SCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000363621166 918544338 /nfs/dbraw/zinc/54/43/38/918544338.db2.gz VWDUPRRNIOQFPU-UHFFFAOYSA-N 1 0 383.492 3.570 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000796596211 918592400 /nfs/dbraw/zinc/59/24/00/918592400.db2.gz CYCPRMCOUIPIQG-VQTJNVASSA-N 1 0 390.405 3.602 20 30 GHEDRO Cc1ccccc1NC(=O)[C@@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000113249757 919365283 /nfs/dbraw/zinc/36/52/83/919365283.db2.gz DRXDJTXIZUDLHF-GOSISDBHSA-N 1 0 394.519 3.645 20 30 GHEDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000116363099 919504385 /nfs/dbraw/zinc/50/43/85/919504385.db2.gz GWJQNNBMZHQHAI-TZIWHRDSSA-N 1 0 393.535 3.637 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(C)ccc3Br)C2)C1=O ZINC001275926871 919754496 /nfs/dbraw/zinc/75/44/96/919754496.db2.gz IQWQDLNDBYHJLV-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000364724020 919907303 /nfs/dbraw/zinc/90/73/03/919907303.db2.gz PMJDYTZOHQAOHU-WIYYLYMNSA-N 1 0 381.520 3.592 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000364724017 919908237 /nfs/dbraw/zinc/90/82/37/919908237.db2.gz PMJDYTZOHQAOHU-GHTZIAJQSA-N 1 0 381.520 3.592 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000800334720 919924463 /nfs/dbraw/zinc/92/44/63/919924463.db2.gz QDYMXWVKSJQPCN-UHFFFAOYSA-N 1 0 384.392 3.520 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000297939830 919998268 /nfs/dbraw/zinc/99/82/68/919998268.db2.gz AFUWZUXDYZRVDG-UYAOXDASSA-N 1 0 387.842 3.799 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(Br)c3)CC2)C1=O ZINC001275966438 920368707 /nfs/dbraw/zinc/36/87/07/920368707.db2.gz UGGIBCUJUQDWCC-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO C=CCc1cc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c(O)c(OC)c1 ZINC000800851696 920527338 /nfs/dbraw/zinc/52/73/38/920527338.db2.gz IKHPECVIYUYRKA-UHFFFAOYSA-N 1 0 388.533 3.638 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)c2ccccc2OCC#N)C1 ZINC000802145529 921861418 /nfs/dbraw/zinc/86/14/18/921861418.db2.gz JERFBUANAMWMGN-VGSWGCGISA-N 1 0 382.435 3.921 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000367351126 922055583 /nfs/dbraw/zinc/05/55/83/922055583.db2.gz CDKFTDXZIDWXOI-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)CC1 ZINC000780091845 922071283 /nfs/dbraw/zinc/07/12/83/922071283.db2.gz JZBSBVZQZLBYNI-UHFFFAOYSA-N 1 0 378.438 3.936 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)CC3 ZINC000367928619 922380625 /nfs/dbraw/zinc/38/06/25/922380625.db2.gz KTOIWQYXSHCIDI-LJQANCHMSA-N 1 0 385.515 3.859 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc(C#N)c1 ZINC000902765440 922483652 /nfs/dbraw/zinc/48/36/52/922483652.db2.gz PPRLPMZEDPPBSG-NRFANRHFSA-N 1 0 385.533 3.828 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cc(C#N)ccn1 ZINC000902785233 922494403 /nfs/dbraw/zinc/49/44/03/922494403.db2.gz CERUSAYJJHLGGH-KRWDZBQOSA-N 1 0 387.487 3.923 20 30 GHEDRO Cc1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)ccc1I ZINC000902979963 922675951 /nfs/dbraw/zinc/67/59/51/922675951.db2.gz WSXPOGVONISXDD-LBPRGKRZSA-N 1 0 377.229 3.717 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1COc2ccccc2C1 ZINC000903042603 922724341 /nfs/dbraw/zinc/72/43/41/922724341.db2.gz FMHDZXWJIXXKPW-AVRDEDQJSA-N 1 0 375.516 3.752 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@]1(C)CCCCO1 ZINC000903094147 922767083 /nfs/dbraw/zinc/76/70/83/922767083.db2.gz NAVARUJVBMEBQG-ISKFKSNPSA-N 1 0 399.579 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C12CCOCC2 ZINC000903139977 922802612 /nfs/dbraw/zinc/80/26/12/922802612.db2.gz XOCSFXQFXLOMDG-RBUKOAKNSA-N 1 0 397.519 3.599 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CCCCC1 ZINC000369218229 923211334 /nfs/dbraw/zinc/21/13/34/923211334.db2.gz GUFVIGWOGAYMBX-OAQYLSRUSA-N 1 0 395.551 3.655 20 30 GHEDRO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369470705 923359540 /nfs/dbraw/zinc/35/95/40/923359540.db2.gz WRLQWLAIPKCUFV-HFTRVMKXSA-N 1 0 396.457 3.889 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O ZINC000369672235 923533813 /nfs/dbraw/zinc/53/38/13/923533813.db2.gz NEILEUXYEKSQAQ-UHFFFAOYSA-N 1 0 396.535 3.861 20 30 GHEDRO COc1cccc2c1OCC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000369850610 923679588 /nfs/dbraw/zinc/67/95/88/923679588.db2.gz GYLUYFUXOLFOLW-OAQYLSRUSA-N 1 0 377.488 3.645 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000369945701 923760487 /nfs/dbraw/zinc/76/04/87/923760487.db2.gz ZJUWPTUTDAWSCO-UHFFFAOYSA-N 1 0 394.544 3.528 20 30 GHEDRO CCN(C(=O)c1ccc(C=NOC)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000748714442 923796065 /nfs/dbraw/zinc/79/60/65/923796065.db2.gz GQFGJQPBZOAUMM-PGRDOPGGSA-N 1 0 379.504 3.965 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@H](CNC(=O)c4ccccc4)C3)n2)cc1 ZINC000749023670 923982724 /nfs/dbraw/zinc/98/27/24/923982724.db2.gz SBDYLEBDIPVZKE-FQEVSTJZSA-N 1 0 399.498 3.521 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC000370565031 924173714 /nfs/dbraw/zinc/17/37/14/924173714.db2.gz FQBAUSHSDVSHBG-LEWJYISDSA-N 1 0 395.890 3.693 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](CC)C[C@H]2CCOC2)cc1OC ZINC000678151644 924636726 /nfs/dbraw/zinc/63/67/26/924636726.db2.gz QTTYYYWFCLGPPV-CQSZACIVSA-N 1 0 384.314 3.881 20 30 GHEDRO N#CC1(NC(=O)c2ccc(F)c(Cl)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000371534710 924642833 /nfs/dbraw/zinc/64/28/33/924642833.db2.gz ONCHYDPRKQGYSI-UHFFFAOYSA-N 1 0 389.833 3.906 20 30 GHEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c2ccccc21 ZINC000678640961 924863271 /nfs/dbraw/zinc/86/32/71/924863271.db2.gz PSVFNMHLNCKTHR-OALUTQOASA-N 1 0 379.504 3.876 20 30 GHEDRO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(SC(F)(F)F)cc1 ZINC001276065582 925087423 /nfs/dbraw/zinc/08/74/23/925087423.db2.gz OPTJUTFQDIXLMQ-GOSISDBHSA-N 1 0 382.451 3.889 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC000827400781 925439276 /nfs/dbraw/zinc/43/92/76/925439276.db2.gz GESJZHOWAOLSIZ-IBGZPJMESA-N 1 0 378.438 3.681 20 30 GHEDRO N#CCCCC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000372643794 925605720 /nfs/dbraw/zinc/60/57/20/925605720.db2.gz HFSSKWAPYXAJDD-UHFFFAOYSA-N 1 0 385.405 3.988 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(c3ccccn3)CC2)ccc1OC ZINC000373143563 925887081 /nfs/dbraw/zinc/88/70/81/925887081.db2.gz XKIFTFYBWBKYEV-IBGZPJMESA-N 1 0 380.492 3.530 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000373233873 925955951 /nfs/dbraw/zinc/95/59/51/925955951.db2.gz ZQDFDPVPGKCWEO-INIZCTEOSA-N 1 0 393.487 3.531 20 30 GHEDRO N#CC[C@@H](CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000373628913 926297875 /nfs/dbraw/zinc/29/78/75/926297875.db2.gz MFZQHKSJQLYSML-IVMQYODDSA-N 1 0 393.453 3.995 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000133522417 926302910 /nfs/dbraw/zinc/30/29/10/926302910.db2.gz JBAUTPJNSZCZRL-SFTDATJTSA-N 1 0 385.471 3.608 20 30 GHEDRO COc1cccc(F)c1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411469817 926430207 /nfs/dbraw/zinc/43/02/07/926430207.db2.gz HOAFJCNQSZNBBE-GFCCVEGCSA-N 1 0 387.480 3.936 20 30 GHEDRO C[N@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C1CCC(C(C)(C)C)CC1 ZINC000725769950 926431529 /nfs/dbraw/zinc/43/15/29/926431529.db2.gz QYEUUSVMQVLQBS-WFHLNLCJSA-N 1 0 396.535 3.819 20 30 GHEDRO C[N@H+](CCc1cccc2ccccc21)Cc1nc2ccccc2c(=O)n1CC#N ZINC000725802964 926447584 /nfs/dbraw/zinc/44/75/84/926447584.db2.gz WTEXMGCEIDDBHI-UHFFFAOYSA-N 1 0 382.467 3.748 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F)CCC2 ZINC000411699447 926667922 /nfs/dbraw/zinc/66/79/22/926667922.db2.gz YRUYAQFHYGMFMU-ZIAGYGMSSA-N 1 0 383.464 3.577 20 30 GHEDRO C#Cc1cccc(NC(=S)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000726459900 926679873 /nfs/dbraw/zinc/67/98/73/926679873.db2.gz SAPFPYWHMLPPPB-QZTJIDSGSA-N 1 0 393.556 3.764 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000726473727 926690606 /nfs/dbraw/zinc/69/06/06/926690606.db2.gz NXWUIQDUHGTJNQ-KRWDZBQOSA-N 1 0 376.888 3.940 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000726486563 926701474 /nfs/dbraw/zinc/70/14/74/926701474.db2.gz PZKYMJWWWSVYBR-UHFFFAOYSA-N 1 0 388.924 3.639 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccn1 ZINC000411741132 926716444 /nfs/dbraw/zinc/71/64/44/926716444.db2.gz PJWDCVGTWAVNKS-ZIAGYGMSSA-N 1 0 398.532 3.828 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000412078725 927079943 /nfs/dbraw/zinc/07/99/43/927079943.db2.gz USYSOYZUIJANOW-QGZVFWFLSA-N 1 0 385.508 3.721 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000749584271 927202742 /nfs/dbraw/zinc/20/27/42/927202742.db2.gz QMUWFMKOGVLKSP-XXBNENTESA-N 1 0 393.506 3.881 20 30 GHEDRO CC(C)(C)Oc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1C#N ZINC000412387079 927398035 /nfs/dbraw/zinc/39/80/35/927398035.db2.gz VNNWRTJPKHWLTH-GOSISDBHSA-N 1 0 387.549 3.892 20 30 GHEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cccc(SCC#N)c1 ZINC000412565942 927583439 /nfs/dbraw/zinc/58/34/39/927583439.db2.gz SWPUGNDVPWRLDH-UHFFFAOYSA-N 1 0 385.489 3.504 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000751001606 927974335 /nfs/dbraw/zinc/97/43/35/927974335.db2.gz BSBIYBOCPZDZFV-WIYYLYMNSA-N 1 0 377.488 3.873 20 30 GHEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000751047074 928000745 /nfs/dbraw/zinc/00/07/45/928000745.db2.gz BQPIALNKICXGHC-UHFFFAOYSA-N 1 0 395.956 3.535 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000751095682 928026891 /nfs/dbraw/zinc/02/68/91/928026891.db2.gz ZINZXFIHBRZWQO-DENIHFKCSA-N 1 0 391.515 3.551 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000413094409 928196486 /nfs/dbraw/zinc/19/64/86/928196486.db2.gz KTULHGMKJPCRKQ-OAQYLSRUSA-N 1 0 378.520 3.533 20 30 GHEDRO COC(=O)[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000751630714 928287064 /nfs/dbraw/zinc/28/70/64/928287064.db2.gz BGVDGUAZUBIQJY-OAQYLSRUSA-N 1 0 392.455 3.615 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2=O)n(C)n1 ZINC000543861316 928507883 /nfs/dbraw/zinc/50/78/83/928507883.db2.gz IGELOWJSZQLCLQ-VGSWGCGISA-N 1 0 399.498 3.723 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874173 928523494 /nfs/dbraw/zinc/52/34/94/928523494.db2.gz HIZPSOQMDWVVNM-HNNXBMFYSA-N 1 0 387.487 3.865 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)CC[C@@H]2CCCO2)c1C#N ZINC000467132791 928738030 /nfs/dbraw/zinc/73/80/30/928738030.db2.gz AAJHNQAJYDAIJC-IBGZPJMESA-N 1 0 398.482 3.544 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](CC(C)C)C2)c1C#N ZINC000467167100 928780374 /nfs/dbraw/zinc/78/03/74/928780374.db2.gz AHJMMTIKEWIEMT-GOSISDBHSA-N 1 0 382.508 3.924 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000752350041 928783352 /nfs/dbraw/zinc/78/33/52/928783352.db2.gz VYLJKWSNQNGDKU-OAQYLSRUSA-N 1 0 389.455 3.716 20 30 GHEDRO COCC[C@H]1CCCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000467275808 928905917 /nfs/dbraw/zinc/90/59/17/928905917.db2.gz UHQMAWCFCBEWOJ-QGZVFWFLSA-N 1 0 377.916 3.725 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000467310837 928946174 /nfs/dbraw/zinc/94/61/74/928946174.db2.gz YFTNCWQZACFOHW-HNNXBMFYSA-N 1 0 375.538 3.576 20 30 GHEDRO N#Cc1ccc(C(=O)OC[C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)s1 ZINC000757891682 929841635 /nfs/dbraw/zinc/84/16/35/929841635.db2.gz QJZYVYRAANUREA-ZDUSSCGKSA-N 1 0 376.428 3.967 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000469410423 929859004 /nfs/dbraw/zinc/85/90/04/929859004.db2.gz REVIEICAGLTRBM-UHFFFAOYSA-N 1 0 391.506 3.969 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000546210174 929961609 /nfs/dbraw/zinc/96/16/09/929961609.db2.gz QTBQHGDRMCEDGC-UHFFFAOYSA-N 1 0 390.409 3.563 20 30 GHEDRO C#CCNC(=S)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC000758219056 929978144 /nfs/dbraw/zinc/97/81/44/929978144.db2.gz ZSRJCGBJESZMLK-QGZVFWFLSA-N 1 0 386.392 3.889 20 30 GHEDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000470206426 930452005 /nfs/dbraw/zinc/45/20/05/930452005.db2.gz KEDGBRDWVIHWEK-KKSFZXQISA-N 1 0 391.943 3.754 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)CC1 ZINC000780458937 930525425 /nfs/dbraw/zinc/52/54/25/930525425.db2.gz ZDECRCWTDHJHEO-KRWDZBQOSA-N 1 0 393.491 3.763 20 30 GHEDRO S=C(NN=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Nc1cccnc1 ZINC000781117682 930705665 /nfs/dbraw/zinc/70/56/65/930705665.db2.gz SFSCSPAOBABUAE-HKUYNNGSSA-N 1 0 379.533 3.656 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000470675898 930813500 /nfs/dbraw/zinc/81/35/00/930813500.db2.gz VHYPDODMHQPQAF-OAQYLSRUSA-N 1 0 377.488 3.740 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000470678876 930816782 /nfs/dbraw/zinc/81/67/82/930816782.db2.gz MQXDAJGBGDMTIJ-UHFFFAOYSA-N 1 0 395.551 3.885 20 30 GHEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470821270 930941401 /nfs/dbraw/zinc/94/14/01/930941401.db2.gz OVGHATXKRKZACW-ROUUACIJSA-N 1 0 377.916 3.692 20 30 GHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000470834589 930954609 /nfs/dbraw/zinc/95/46/09/930954609.db2.gz COAGWKMYILMXRR-QFIPXVFZSA-N 1 0 386.499 3.908 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000783503786 931565538 /nfs/dbraw/zinc/56/55/38/931565538.db2.gz SMXWNRZOPJUTQG-CYBMUJFWSA-N 1 0 399.516 3.920 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000783531894 931573867 /nfs/dbraw/zinc/57/38/67/931573867.db2.gz NDLFZSIFTDPTHT-SJORKVTESA-N 1 0 375.456 3.922 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000783531877 931573878 /nfs/dbraw/zinc/57/38/78/931573878.db2.gz NDLFZSIFTDPTHT-DLBZAZTESA-N 1 0 375.456 3.922 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN(C)CC2([NH+](C)C)CCC2)c1=S ZINC000783548734 931578517 /nfs/dbraw/zinc/57/85/17/931578517.db2.gz ZKGKPNZNUJEENC-UHFFFAOYSA-N 1 0 385.581 3.949 20 30 GHEDRO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)o1 ZINC000187303888 931687948 /nfs/dbraw/zinc/68/79/48/931687948.db2.gz ACUXBXLSGWLJEK-UHFFFAOYSA-N 1 0 376.412 3.925 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000925243292 931715250 /nfs/dbraw/zinc/71/52/50/931715250.db2.gz BTNSXCPZZUETKS-NSISKUIASA-N 1 0 399.535 3.554 20 30 GHEDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925702552 931880895 /nfs/dbraw/zinc/88/08/95/931880895.db2.gz BPGPFFKIAPHDMG-ZWKOTPCHSA-N 1 0 393.572 3.693 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000558455638 932011929 /nfs/dbraw/zinc/01/19/29/932011929.db2.gz CCUJQLJHOLSOCO-UHFFFAOYSA-N 1 0 382.556 3.562 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796764891 932059500 /nfs/dbraw/zinc/05/95/00/932059500.db2.gz UWGPGMBVPQUUMK-FQEVSTJZSA-N 1 0 398.551 3.906 20 30 GHEDRO O=C(NCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)C1N=CC=CC1=O ZINC000796815160 932077632 /nfs/dbraw/zinc/07/76/32/932077632.db2.gz BOMLIGCNEBOGJK-CQOSDQHZSA-N 1 0 387.911 3.872 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796821804 932079704 /nfs/dbraw/zinc/07/97/04/932079704.db2.gz WANODTNUYWXQIZ-HNNXBMFYSA-N 1 0 382.464 3.604 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000558635117 932129557 /nfs/dbraw/zinc/12/95/57/932129557.db2.gz YTAPKYAEPOBYDU-SFTDATJTSA-N 1 0 375.472 3.555 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000558635116 932129643 /nfs/dbraw/zinc/12/96/43/932129643.db2.gz YTAPKYAEPOBYDU-RTWAWAEBSA-N 1 0 375.472 3.555 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000796973356 932131056 /nfs/dbraw/zinc/13/10/56/932131056.db2.gz POJIMAHZQLGGGP-FXAWDEMLSA-N 1 0 398.551 3.905 20 30 GHEDRO COC[C@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCCN1C(=O)OC(C)(C)C ZINC000797114130 932188220 /nfs/dbraw/zinc/18/82/20/932188220.db2.gz OSWGCCRHEZUMGK-NZQKXSOJSA-N 1 0 399.535 3.941 20 30 GHEDRO C[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)c1ccc(C#N)cc1 ZINC000558743734 932206874 /nfs/dbraw/zinc/20/68/74/932206874.db2.gz ZGDDCUBJNKFTMV-CYBMUJFWSA-N 1 0 377.517 3.917 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926530903 932218920 /nfs/dbraw/zinc/21/89/20/932218920.db2.gz CQFBMLUTMGJYMZ-KURKYZTESA-N 1 0 377.529 3.629 20 30 GHEDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926533760 932220101 /nfs/dbraw/zinc/22/01/01/932220101.db2.gz UKASQZDOSOFXBC-SJORKVTESA-N 1 0 389.544 3.873 20 30 GHEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000558919742 932315939 /nfs/dbraw/zinc/31/59/39/932315939.db2.gz GXZPZYMCKMDSTF-AWEZNQCLSA-N 1 0 385.309 3.791 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCC[C@@]12CCCO2 ZINC000926862213 932329570 /nfs/dbraw/zinc/32/95/70/932329570.db2.gz WNNTYJJVDGGAMM-KGVIQGDOSA-N 1 0 391.556 3.997 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)n2)c1 ZINC000798938040 932826011 /nfs/dbraw/zinc/82/60/11/932826011.db2.gz YEZMMIZGUSDVJY-UHFFFAOYSA-N 1 0 391.519 3.518 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](c4ccccn4)C3)sc2C1 ZINC000799192766 932907623 /nfs/dbraw/zinc/90/76/23/932907623.db2.gz HIQSSLBWZROHPF-HOTGVXAUSA-N 1 0 394.544 3.958 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799196769 932911640 /nfs/dbraw/zinc/91/16/40/932911640.db2.gz WUKOAFBGWYZWDM-WOJBJXKFSA-N 1 0 376.504 3.823 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000799357873 932966173 /nfs/dbraw/zinc/96/61/73/932966173.db2.gz BNJAJFOCPXMKDM-SFHVURJKSA-N 1 0 379.545 3.714 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1OC ZINC000560550207 933334327 /nfs/dbraw/zinc/33/43/27/933334327.db2.gz JHXDTSLJJPBUHI-UZLBHIALSA-N 1 0 393.487 3.730 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)c1 ZINC000929926948 933711052 /nfs/dbraw/zinc/71/10/52/933711052.db2.gz HNJPEAGILNOHMH-QZTJIDSGSA-N 1 0 395.425 3.709 20 30 GHEDRO CN1CCO[C@H]([C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC001116704865 933713617 /nfs/dbraw/zinc/71/36/17/933713617.db2.gz SNHCPSSRDFJRDW-YGZJECHCSA-N 1 0 395.934 3.925 20 30 GHEDRO C#CC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001118124619 934092133 /nfs/dbraw/zinc/09/21/33/934092133.db2.gz ITXDIOPEQUPDLQ-LPHOPBHVSA-N 1 0 377.891 3.527 20 30 GHEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c1 ZINC001118148201 934098346 /nfs/dbraw/zinc/09/83/46/934098346.db2.gz REFVNBMOLVVLSQ-MRXNPFEDSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c(C(F)(F)F)c1 ZINC000561406361 934134241 /nfs/dbraw/zinc/13/42/41/934134241.db2.gz WCSAVKGPUVVYHT-UHFFFAOYSA-N 1 0 381.442 3.702 20 30 GHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H](C)C1 ZINC000561760010 934428520 /nfs/dbraw/zinc/42/85/20/934428520.db2.gz FSIJACVSJUPSNX-FVJLSDCUSA-N 1 0 390.487 3.548 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)COc1cccc2ccccc21 ZINC000561793660 934456858 /nfs/dbraw/zinc/45/68/58/934456858.db2.gz JJHFXWYTIHIDTP-QFIPXVFZSA-N 1 0 390.483 3.600 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC001120366314 934459060 /nfs/dbraw/zinc/45/90/60/934459060.db2.gz SIBWMFLYGAZGBF-OFQRWUPVSA-N 1 0 380.414 3.771 20 30 GHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)COc3ccc(C#N)cc3)cc2)cs1 ZINC001120559437 934473185 /nfs/dbraw/zinc/47/31/85/934473185.db2.gz SNDYRXYWOWQREV-FQEVSTJZSA-N 1 0 393.512 3.562 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000931294853 934487251 /nfs/dbraw/zinc/48/72/51/934487251.db2.gz MXLVTGWKDLMGER-UHFFFAOYSA-N 1 0 381.501 3.676 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000561876884 934530116 /nfs/dbraw/zinc/53/01/16/934530116.db2.gz KNBZPXJNGRFKHJ-JOCHJYFZSA-N 1 0 393.531 3.915 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000931488422 934580627 /nfs/dbraw/zinc/58/06/27/934580627.db2.gz SFZBVJHHGIQPJQ-INIZCTEOSA-N 1 0 379.464 3.599 20 30 GHEDRO C=CCn1c(C2CCC(OC(C)C)CC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001121495518 934674337 /nfs/dbraw/zinc/67/43/37/934674337.db2.gz JSVKQGDKUSIDDJ-UHFFFAOYSA-N 1 0 389.588 3.836 20 30 GHEDRO C=CCn1c(CSC(F)(F)F)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121496392 934674722 /nfs/dbraw/zinc/67/47/22/934674722.db2.gz DVTINRSUGYVHJV-UHFFFAOYSA-N 1 0 377.480 3.528 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1OCc1cccnc1 ZINC000562080453 934678688 /nfs/dbraw/zinc/67/86/88/934678688.db2.gz BZARJCNVDTXAOL-UHFFFAOYSA-N 1 0 389.455 3.839 20 30 GHEDRO C=CCn1c(N2CCC([NH+](CC)CC)CC2)nnc1C(F)(F)c1ccccc1 ZINC001121530644 934687277 /nfs/dbraw/zinc/68/72/77/934687277.db2.gz OJTKPHZAOAIZJB-UHFFFAOYSA-N 1 0 389.494 3.915 20 30 GHEDRO C=CCn1c([C@@H]2CC=NO2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121559610 934697667 /nfs/dbraw/zinc/69/76/67/934697667.db2.gz QAPVZKGSCALJNJ-RLLQIKCJSA-N 1 0 394.523 3.573 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001121581122 934704681 /nfs/dbraw/zinc/70/46/81/934704681.db2.gz HSSFJDAMGSAOCS-KRWDZBQOSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCn1c(C[C@@H](C)SC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001121656372 934728743 /nfs/dbraw/zinc/72/87/43/934728743.db2.gz QDQKHYHEGVCXLJ-QGZVFWFLSA-N 1 0 377.602 3.603 20 30 GHEDRO C=CCn1c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)CC#N ZINC001121663660 934731185 /nfs/dbraw/zinc/73/11/85/934731185.db2.gz WMRONWZCWOFHJZ-IBGZPJMESA-N 1 0 384.572 3.748 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)CC1 ZINC001122000427 934801217 /nfs/dbraw/zinc/80/12/17/934801217.db2.gz WSTDVHLWSJWCCH-GOSISDBHSA-N 1 0 380.540 3.700 20 30 GHEDRO C=C(C)CN(C)c1nnc([C@H]2CCC[N@@H+]2C2CCOCC2)n1Cc1ccccc1 ZINC001122089158 934819626 /nfs/dbraw/zinc/81/96/26/934819626.db2.gz GQJBSGRIUNABED-OAQYLSRUSA-N 1 0 395.551 3.655 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCCC#N)n2CCc2ccccc2)CC1 ZINC001122116466 934825024 /nfs/dbraw/zinc/82/50/24/934825024.db2.gz YCCIIJONIYNCBF-UHFFFAOYSA-N 1 0 394.567 3.678 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000932143819 934833637 /nfs/dbraw/zinc/83/36/37/934833637.db2.gz TWEDOHHEMFIVCF-UHFFFAOYSA-N 1 0 399.535 3.755 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)c1 ZINC000932172585 934840478 /nfs/dbraw/zinc/84/04/78/934840478.db2.gz WJACHNKZTOHCFC-UHFFFAOYSA-N 1 0 377.423 3.597 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C)cc1 ZINC001122499944 934883707 /nfs/dbraw/zinc/88/37/07/934883707.db2.gz QCYGATCNMXNIOY-DENIHFKCSA-N 1 0 390.483 3.835 20 30 GHEDRO C=C(C)Cn1c(-c2c(C)n[nH]c2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122551732 934897673 /nfs/dbraw/zinc/89/76/73/934897673.db2.gz WHPUMUFMYCYQJZ-UHFFFAOYSA-N 1 0 397.571 3.706 20 30 GHEDRO CN1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 ZINC001123035785 935063025 /nfs/dbraw/zinc/06/30/25/935063025.db2.gz YNFSJDWGGIGOES-KRWDZBQOSA-N 1 0 384.553 3.675 20 30 GHEDRO C=CCN(c1nnc([C@@H](C)N(C)Cc2ccccc2)n1C[C@H]1CCOC1)C1CC1 ZINC001123227243 935123396 /nfs/dbraw/zinc/12/33/96/935123396.db2.gz QJDONSXCHFFUFU-UYAOXDASSA-N 1 0 395.551 3.662 20 30 GHEDRO Cn1cc(-c2ccnc(C3CC[NH+](Cc4ccc(C5(C#N)CC5)cc4)CC3)n2)cn1 ZINC000828074895 935573904 /nfs/dbraw/zinc/57/39/04/935573904.db2.gz YTUPBXIEEWATPC-UHFFFAOYSA-N 1 0 398.514 3.812 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CC1 ZINC000828350621 935617551 /nfs/dbraw/zinc/61/75/51/935617551.db2.gz AMCBYFSQISAOOR-UHFFFAOYSA-N 1 0 380.467 3.728 20 30 GHEDRO COc1ccc(CN2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c(C#N)c1 ZINC001137700996 935732197 /nfs/dbraw/zinc/73/21/97/935732197.db2.gz IEAXDKFFQGGWKL-UHFFFAOYSA-N 1 0 394.519 3.802 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(CN2CC([NH+]3CCC(F)CC3)C2)cc1 ZINC001137902826 935856597 /nfs/dbraw/zinc/85/65/97/935856597.db2.gz UHKOJXNBVZAZPL-UHFFFAOYSA-N 1 0 378.495 3.944 20 30 GHEDRO N#Cc1ccccc1OCCCNC(=O)C[C@H]([NH3+])Cc1cccc2ccccc21 ZINC001220685153 1032061365 /nfs/dbraw/zinc/06/13/65/1032061365.db2.gz QBMCCKSURXJNHI-OAQYLSRUSA-N 1 0 387.483 3.557 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001154367293 1032066864 /nfs/dbraw/zinc/06/68/64/1032066864.db2.gz RNTSXDYUVSQCFY-XMMPIXPASA-N 1 0 394.515 3.550 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC001220725133 1032085925 /nfs/dbraw/zinc/08/59/25/1032085925.db2.gz MTZKGMQQPPPGIK-NSDNVYNZSA-N 1 0 385.511 3.560 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC001625927686 1014424498 /nfs/dbraw/zinc/42/44/98/1014424498.db2.gz GXAQXBNJIQBSOW-FQEVSTJZSA-N 1 0 382.504 3.530 20 30 GHEDRO N#Cc1cc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC001226730137 1032098251 /nfs/dbraw/zinc/09/82/51/1032098251.db2.gz XWYWMNQMNFGPII-GOSISDBHSA-N 1 0 387.277 3.601 20 30 GHEDRO CCC1(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001595378505 980914329 /nfs/dbraw/zinc/91/43/29/980914329.db2.gz CXTHWBFBDAORRE-QFIPXVFZSA-N 1 0 391.515 3.966 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171467588 1014966092 /nfs/dbraw/zinc/96/60/92/1014966092.db2.gz YKBWEEHGTPQNDO-IBGZPJMESA-N 1 0 395.453 3.588 20 30 GHEDRO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cccc(C#N)c1 ZINC001220768809 1032109048 /nfs/dbraw/zinc/10/90/48/1032109048.db2.gz BQZJNOSUMIYHCM-IRLDBZIGSA-N 1 0 388.515 3.827 20 30 GHEDRO CC(C)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+]1CCC(C)CC1 ZINC000468243855 1015488001 /nfs/dbraw/zinc/48/80/01/1015488001.db2.gz VBAXEJCFGGZTIK-FQEVSTJZSA-N 1 0 380.492 3.700 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCc1c(Cl)ccc(Cl)c1Cl ZINC001220816276 1032136061 /nfs/dbraw/zinc/13/60/61/1032136061.db2.gz GIMBDRHKZNBATA-HNNXBMFYSA-N 1 0 382.678 3.705 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000468965268 1016281641 /nfs/dbraw/zinc/28/16/41/1016281641.db2.gz LZQVZHWABFMIQK-KGLIPLIRSA-N 1 0 383.330 3.921 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000468964978 1016281429 /nfs/dbraw/zinc/28/14/29/1016281429.db2.gz LZQVZHWABFMIQK-KBPBESRZSA-N 1 0 383.330 3.921 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(Br)cccc1Br ZINC001226842020 1032151608 /nfs/dbraw/zinc/15/16/08/1032151608.db2.gz SORPUTVWVFMDAZ-SNVBAGLBSA-N 1 0 377.100 3.579 20 30 GHEDRO C=CCSc1ncccc1C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220978483 1032218221 /nfs/dbraw/zinc/21/82/21/1032218221.db2.gz FUJAHZSJWOFIEH-UHFFFAOYSA-N 1 0 399.535 3.841 20 30 GHEDRO CCC1(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)CCC(F)(F)CC1 ZINC001221067565 1032265143 /nfs/dbraw/zinc/26/51/43/1032265143.db2.gz AIELNKKWGLUQHI-QAPCUYQASA-N 1 0 375.463 3.553 20 30 GHEDRO C#CC1(NC(=O)[C@@]2(Cc3ccc(Br)cc3)CCC[NH2+]2)CCCCC1 ZINC001221276391 1032356732 /nfs/dbraw/zinc/35/67/32/1032356732.db2.gz XLKDWEZNRKDEDE-FQEVSTJZSA-N 1 0 389.337 3.566 20 30 GHEDRO C#CCCC1(CCNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)N=N1 ZINC001221411011 1032404326 /nfs/dbraw/zinc/40/43/26/1032404326.db2.gz VGMXBMPUDORIJF-QFIPXVFZSA-N 1 0 384.483 3.945 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(C#N)cc1 ZINC001221502886 1032438922 /nfs/dbraw/zinc/43/89/22/1032438922.db2.gz VQSKOHGLPUJNSZ-ANJVHQHFSA-N 1 0 388.515 3.783 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)n1 ZINC001155431856 1032539979 /nfs/dbraw/zinc/53/99/79/1032539979.db2.gz YEYJZZBCRXARMH-MRXNPFEDSA-N 1 0 399.951 3.632 20 30 GHEDRO C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@H+](C)Cc1ccccc1 ZINC001227764121 1032546396 /nfs/dbraw/zinc/54/63/96/1032546396.db2.gz CUAJHMNJJCVNHC-HTAPYJJXSA-N 1 0 376.504 3.755 20 30 GHEDRO COc1cccc(N(C2CC[NH2+]CC2)C(F)(F)c2cnc(Cl)cc2C#N)c1 ZINC001155613426 1032599667 /nfs/dbraw/zinc/59/96/67/1032599667.db2.gz CNPIKQUXOOCTEO-UHFFFAOYSA-N 1 0 392.837 3.923 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000558932132 1017317160 /nfs/dbraw/zinc/31/71/60/1017317160.db2.gz SMMBGMDHUDDHKY-QGZVFWFLSA-N 1 0 390.409 3.785 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000559005324 1017334955 /nfs/dbraw/zinc/33/49/55/1017334955.db2.gz YMZMJNNANCDSPD-IBGZPJMESA-N 1 0 382.556 3.798 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000560096830 1017546243 /nfs/dbraw/zinc/54/62/43/1017546243.db2.gz HPHXXOTZPLVDPX-UHFFFAOYSA-N 1 0 378.314 3.513 20 30 GHEDRO CC[C@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000560638138 1017681431 /nfs/dbraw/zinc/68/14/31/1017681431.db2.gz MMUONJAXFQTYSZ-QFIPXVFZSA-N 1 0 391.490 3.852 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3cc(Cl)ccc32)C1 ZINC001227989475 1032727067 /nfs/dbraw/zinc/72/70/67/1032727067.db2.gz MOMLGDMVSXFATP-MRXNPFEDSA-N 1 0 380.835 3.514 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cc1 ZINC001204299457 1032738083 /nfs/dbraw/zinc/73/80/83/1032738083.db2.gz AXQBYXORDOCJPV-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@@H](C#N)C2)CC1 ZINC000931697144 1018032126 /nfs/dbraw/zinc/03/21/26/1018032126.db2.gz IDHPEGNUUMCDOR-AWEZNQCLSA-N 1 0 376.888 3.580 20 30 GHEDRO N#Cc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000562091105 1018037575 /nfs/dbraw/zinc/03/75/75/1018037575.db2.gz GWTRHLUKAFCCQV-RBUKOAKNSA-N 1 0 378.451 3.683 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC12CCCC2 ZINC000562516232 1018256201 /nfs/dbraw/zinc/25/62/01/1018256201.db2.gz SIUSNAAODRXTSW-HSZRJFAPSA-N 1 0 394.519 3.914 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000562684741 1018534601 /nfs/dbraw/zinc/53/46/01/1018534601.db2.gz VPPOIVGPFWIPIH-FGZHOGPDSA-N 1 0 399.498 3.951 20 30 GHEDRO N#CC1(NC(=O)/C=C\c2ccnc3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000778114147 1018620658 /nfs/dbraw/zinc/62/06/58/1018620658.db2.gz PJFSKMILSQPNLU-KHPPLWFESA-N 1 0 396.494 3.923 20 30 GHEDRO N#CC(CC[NH+]1CCC([C@H]2COC(=O)N2)CC1)(c1ccccc1)c1ccccc1 ZINC000932779213 1018661947 /nfs/dbraw/zinc/66/19/47/1018661947.db2.gz ZAANLRUVVROKPJ-JOCHJYFZSA-N 1 0 389.499 3.707 20 30 GHEDRO FC1(F)[C@H]2C[N@H+](CCO[C@@H]3CCCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932951043 1018782017 /nfs/dbraw/zinc/78/20/17/1018782017.db2.gz TXZDLDPNVPWAOS-OUAUKWLOSA-N 1 0 397.306 3.632 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000563599438 1018934359 /nfs/dbraw/zinc/93/43/59/1018934359.db2.gz PTENGHOMODANEE-GOSISDBHSA-N 1 0 392.551 3.783 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccccc2C#N)CC3)cs1 ZINC001204370272 1032811625 /nfs/dbraw/zinc/81/16/25/1032811625.db2.gz WNSNTEONOYBWOA-FQEVSTJZSA-N 1 0 383.517 3.664 20 30 GHEDRO COc1cc(Br)ccc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570204250 1019569571 /nfs/dbraw/zinc/56/95/71/1019569571.db2.gz NRSHEHYWFXYUPF-UHFFFAOYSA-N 1 0 389.293 3.978 20 30 GHEDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000570222969 1019572865 /nfs/dbraw/zinc/57/28/65/1019572865.db2.gz JSCOAXGZJYEVGP-DHIUTWEWSA-N 1 0 389.499 3.725 20 30 GHEDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1nc(Cl)c(C#N)cc1C#N ZINC001156018943 1032843531 /nfs/dbraw/zinc/84/35/31/1032843531.db2.gz MULGXNPNOYOGEC-UHFFFAOYSA-N 1 0 391.862 3.898 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572640108 1019790103 /nfs/dbraw/zinc/79/01/03/1019790103.db2.gz WTDJOLMCKCIEQP-UGSOOPFHSA-N 1 0 387.846 3.560 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000575799218 1019949143 /nfs/dbraw/zinc/94/91/43/1019949143.db2.gz BDVYIKZYSKXMNN-OYNPSCLESA-N 1 0 383.536 3.732 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2Sc2ccccc2)CCOCC1 ZINC000600720218 1020224390 /nfs/dbraw/zinc/22/43/90/1020224390.db2.gz FXBHVSNVMNFGQI-LJQANCHMSA-N 1 0 382.529 3.999 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)CCOCC1 ZINC000600721119 1020225581 /nfs/dbraw/zinc/22/55/81/1020225581.db2.gz SSZXZPPROJWYTL-LJQANCHMSA-N 1 0 376.928 3.813 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)nc1 ZINC000577814265 1020292680 /nfs/dbraw/zinc/29/26/80/1020292680.db2.gz QNUNLBACNXUTOR-SFHVURJKSA-N 1 0 379.851 3.650 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601187223 1020304050 /nfs/dbraw/zinc/30/40/50/1020304050.db2.gz FIAHSYKOFMNPDO-RTBURBONSA-N 1 0 376.504 3.866 20 30 GHEDRO Cc1sc(NC(=O)CN(CC[NH+]2CCCCCC2)C(C)C)c(C#N)c1C ZINC000578972866 1020375118 /nfs/dbraw/zinc/37/51/18/1020375118.db2.gz FCSOHKXYZJXBAD-UHFFFAOYSA-N 1 0 376.570 3.762 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2cccc(C(=O)OCC[NH+](CC)CC)c2)cc1 ZINC001140258144 1021267292 /nfs/dbraw/zinc/26/72/92/1021267292.db2.gz VSCLIKUHWSFCCX-UHFFFAOYSA-N 1 0 392.499 3.738 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2nc(Cl)nc(C)c2C#N)cc1 ZINC001156294534 1032964527 /nfs/dbraw/zinc/96/45/27/1032964527.db2.gz PFGHVVAVBDSSRY-KRWDZBQOSA-N 1 0 399.926 3.810 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000800783759 1021333950 /nfs/dbraw/zinc/33/39/50/1021333950.db2.gz KQEVDLQGBNLCIY-QGZVFWFLSA-N 1 0 376.508 3.518 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000802007734 1021464858 /nfs/dbraw/zinc/46/48/58/1021464858.db2.gz CRGFNWJGOQJMCO-JOCHJYFZSA-N 1 0 385.508 3.660 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000834792882 1021483600 /nfs/dbraw/zinc/48/36/00/1021483600.db2.gz TUVSOFLXCUIFET-UHFFFAOYSA-N 1 0 393.487 3.867 20 30 GHEDRO N#Cc1cc(C#N)c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001156319650 1032983770 /nfs/dbraw/zinc/98/37/70/1032983770.db2.gz ZQGIFAXIUIMUCJ-KFKAGJAMSA-N 1 0 377.879 3.801 20 30 GHEDRO N#CCCN1CC[NH+](Cc2ccccc2-c2cccc(Br)n2)CC1 ZINC001140407926 1021589005 /nfs/dbraw/zinc/58/90/05/1021589005.db2.gz KMKIDESRRRPHHB-UHFFFAOYSA-N 1 0 385.309 3.542 20 30 GHEDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437583 1021705777 /nfs/dbraw/zinc/70/57/77/1021705777.db2.gz LNKZNAKFYWDEAU-RDJZCZTQSA-N 1 0 383.492 3.889 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)cn1 ZINC001140543005 1021943381 /nfs/dbraw/zinc/94/33/81/1021943381.db2.gz IQPXHPGVYBSLMR-UHFFFAOYSA-N 1 0 388.515 3.718 20 30 GHEDRO COCCO[C@H]1CCC2(CC[NH+](Cc3ccc(C#N)nc3)CC2)c2ccccc21 ZINC001140542634 1021943443 /nfs/dbraw/zinc/94/34/43/1021943443.db2.gz CQFSSOMSSWVCRB-QHCPKHFHSA-N 1 0 391.515 3.985 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)c1 ZINC001140598720 1022041839 /nfs/dbraw/zinc/04/18/39/1022041839.db2.gz BHDBZYJCNBHFHH-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC001140600121 1022045289 /nfs/dbraw/zinc/04/52/89/1022045289.db2.gz CFJJGGGQSJQULU-LJQANCHMSA-N 1 0 383.879 3.809 20 30 GHEDRO CCN(CC)C(=O)c1cc(F)cc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001204706086 1033036403 /nfs/dbraw/zinc/03/64/03/1033036403.db2.gz OYFHKBFIHVWMQB-UHFFFAOYSA-N 1 0 395.478 3.977 20 30 GHEDRO C=CCNC(=O)c1cccc(-c2noc(-c3ccc(C[NH+](CC)CC)o3)n2)c1 ZINC000680731020 1022216592 /nfs/dbraw/zinc/21/65/92/1022216592.db2.gz MVNDTCWOVUJDGH-UHFFFAOYSA-N 1 0 380.448 3.754 20 30 GHEDRO N#Cc1c(F)cc(CN2CCc3ncnc(-c4ccccc4)c3CC2)cc1F ZINC001140757704 1022447501 /nfs/dbraw/zinc/44/75/01/1022447501.db2.gz PXLNIIHMKVMYHK-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000754101398 1022483325 /nfs/dbraw/zinc/48/33/25/1022483325.db2.gz FNNXOZPIYBBARM-UWJYYQICSA-N 1 0 377.488 3.635 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@H]2C1 ZINC001140810169 1022593355 /nfs/dbraw/zinc/59/33/55/1022593355.db2.gz XDNHRWSCJAQNSE-RDJZCZTQSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1Cl ZINC001140813503 1022611768 /nfs/dbraw/zinc/61/17/68/1022611768.db2.gz KNKXUJNWOGVBEF-ICSRJNTNSA-N 1 0 385.870 3.688 20 30 GHEDRO C=CCc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c(O)c(OC)c1 ZINC000754748823 1022877485 /nfs/dbraw/zinc/87/74/85/1022877485.db2.gz TWWGENILPDEZJT-DOTOQJQBSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923781 1022899855 /nfs/dbraw/zinc/89/98/55/1022899855.db2.gz GAINYAYQWNKVDV-RTWAWAEBSA-N 1 0 378.944 3.980 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000754869836 1022942406 /nfs/dbraw/zinc/94/24/06/1022942406.db2.gz FVZHHQFPFQSWQQ-UHFFFAOYSA-N 1 0 394.450 3.890 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000836496614 1023033162 /nfs/dbraw/zinc/03/31/62/1023033162.db2.gz FUBXZSLBNSYVGC-MOPGFXCFSA-N 1 0 392.503 3.963 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(=NNC(=S)Nc1ccccc1F)c1ccccc1O2 ZINC000755497007 1023272443 /nfs/dbraw/zinc/27/24/43/1023272443.db2.gz FNOVBORKCFAFQG-UHFFFAOYSA-N 1 0 398.507 3.763 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(C)c(Cc3ccccc3F)s2)CC1 ZINC000836757337 1023342615 /nfs/dbraw/zinc/34/26/15/1023342615.db2.gz YSZHPJMLFOSKMF-UHFFFAOYSA-N 1 0 388.512 3.953 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccccc1O2 ZINC000755815103 1023389790 /nfs/dbraw/zinc/38/97/90/1023389790.db2.gz FBYPBPAQQZHEIN-UHFFFAOYSA-N 1 0 391.397 3.559 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141074344 1023433000 /nfs/dbraw/zinc/43/30/00/1023433000.db2.gz FSHCQNPRSNSHCT-UHFFFAOYSA-N 1 0 395.547 3.606 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075356 1023435220 /nfs/dbraw/zinc/43/52/20/1023435220.db2.gz NVBIUOCXMOBTCB-ILBGXUMGSA-N 1 0 396.575 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@H]2C1 ZINC001141114284 1023531283 /nfs/dbraw/zinc/53/12/83/1023531283.db2.gz KQZBKJBLRJAKMP-RYUDHWBXSA-N 1 0 396.944 3.544 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1C#N ZINC000756613609 1023739143 /nfs/dbraw/zinc/73/91/43/1023739143.db2.gz KXRCZZZPUZHGSN-GHTZIAJQSA-N 1 0 382.435 3.572 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(Br)c(Cl)cc1OC ZINC001156672050 1033172757 /nfs/dbraw/zinc/17/27/57/1033172757.db2.gz DHUBVFJTMWYPLM-UHFFFAOYSA-N 1 0 389.721 3.691 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc1 ZINC001138113566 1024139929 /nfs/dbraw/zinc/13/99/29/1024139929.db2.gz IJSZHJXFEVMYGA-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3c(F)cc(C)cc3Br)C2)C1=O ZINC001277344750 1033200584 /nfs/dbraw/zinc/20/05/84/1033200584.db2.gz BKWNZKGCUGWBPY-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1CC ZINC001138219085 1024391248 /nfs/dbraw/zinc/39/12/48/1024391248.db2.gz DPBNHJKMSYSOCT-UHFFFAOYSA-N 1 0 380.414 3.900 20 30 GHEDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@@H]21 ZINC001141298164 1024443043 /nfs/dbraw/zinc/44/30/43/1024443043.db2.gz LWBIHWRUXZQGNF-UGKGYDQZSA-N 1 0 375.472 3.793 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC001138277834 1024533952 /nfs/dbraw/zinc/53/39/52/1024533952.db2.gz UEYBESGZGZKRLB-JOCHJYFZSA-N 1 0 387.524 3.869 20 30 GHEDRO COc1ccsc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001141324865 1024558319 /nfs/dbraw/zinc/55/83/19/1024558319.db2.gz XFSXFUOEGBIDHI-JOCHJYFZSA-N 1 0 397.544 3.747 20 30 GHEDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138335363 1024696772 /nfs/dbraw/zinc/69/67/72/1024696772.db2.gz OEYIPZNGLWVURR-DEOSSOPVSA-N 1 0 385.511 3.951 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC001138439377 1024851967 /nfs/dbraw/zinc/85/19/67/1024851967.db2.gz IMNZUDHJIRWRIZ-UHFFFAOYSA-N 1 0 396.487 3.936 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(OC3CCOCC3)cc1)C2 ZINC001141405535 1024913802 /nfs/dbraw/zinc/91/38/02/1024913802.db2.gz UQXKFNJPKLTJNP-XMMPIXPASA-N 1 0 398.547 3.778 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)c1C#N ZINC001156800407 1033248777 /nfs/dbraw/zinc/24/87/77/1033248777.db2.gz LDGUXBXBWQYKQE-UHFFFAOYSA-N 1 0 399.322 3.962 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CC(c3ncn4cc(Br)ccc34)C2)cc1 ZINC001138557565 1025018017 /nfs/dbraw/zinc/01/80/17/1025018017.db2.gz LWBLROOQNYPMSB-UHFFFAOYSA-N 1 0 396.288 3.708 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c1O ZINC001138626104 1025123851 /nfs/dbraw/zinc/12/38/51/1025123851.db2.gz AJECYPWPTHNKSW-YTFSRNRJSA-N 1 0 394.515 3.854 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC[C@@H](C(=O)N4CCCC4)OC3)CC2)c1O ZINC001138627702 1025128833 /nfs/dbraw/zinc/12/88/33/1025128833.db2.gz MYSGFYJEIRBTMX-NRFANRHFSA-N 1 0 398.547 3.504 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1O ZINC001138627971 1025129269 /nfs/dbraw/zinc/12/92/69/1025129269.db2.gz QNZYUNHLFFRENV-XMMPIXPASA-N 1 0 391.515 3.530 20 30 GHEDRO C=CCc1cccc(C[N@H+](CC)C[C@H]2CN(Cc3ccccc3)CCO2)c1O ZINC001138630995 1025134785 /nfs/dbraw/zinc/13/47/85/1025134785.db2.gz HXQSDDABPZWHOK-QHCPKHFHSA-N 1 0 380.532 3.844 20 30 GHEDRO C=C(C)COc1ccccc1CN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001138661034 1025181387 /nfs/dbraw/zinc/18/13/87/1025181387.db2.gz MDHODAURUAKKAP-OEMFJLHTSA-N 1 0 394.515 3.985 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001138664598 1025187009 /nfs/dbraw/zinc/18/70/09/1025187009.db2.gz RSDZLADJRRPSDZ-OAQYLSRUSA-N 1 0 391.515 3.675 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000838802047 1025374511 /nfs/dbraw/zinc/37/45/11/1025374511.db2.gz JZICRSXANTZSSK-UHFFFAOYSA-N 1 0 376.500 3.632 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)c3cc(C)c(C#N)cn3)CCC[N@@H+]2C)cc1 ZINC000838806076 1025378160 /nfs/dbraw/zinc/37/81/60/1025378160.db2.gz NEHFXRGJQYQZNE-LAUBAEHRSA-N 1 0 379.460 3.510 20 30 GHEDRO COc1cccc(CC2([NH3+])CCN(c3nc(Cl)c(Cl)cc3C#N)CC2)c1 ZINC001162047989 1025562605 /nfs/dbraw/zinc/56/26/05/1025562605.db2.gz LPLPMMPSSLERKC-UHFFFAOYSA-N 1 0 391.302 3.809 20 30 GHEDRO C=CCNC(=O)c1cccnc1N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001162236398 1025686058 /nfs/dbraw/zinc/68/60/58/1025686058.db2.gz OHMCBJUMGQWRKV-HXUWFJFHSA-N 1 0 382.483 3.679 20 30 GHEDRO N#Cc1cnc(N2CCC[N@H+](CCCc3ccccc3)CC2)c(Br)c1 ZINC001162356476 1025724509 /nfs/dbraw/zinc/72/45/09/1025724509.db2.gz XUNOHXMBFUCNGB-UHFFFAOYSA-N 1 0 399.336 3.861 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162461812 1025754769 /nfs/dbraw/zinc/75/47/69/1025754769.db2.gz RCRLWEYDBLPRGV-AEFFLSMTSA-N 1 0 389.616 3.650 20 30 GHEDRO C=CC[NH+]1CCC(Nc2cc(C)nc(-c3ccc(Br)cc3)n2)CC1 ZINC001162466489 1025756963 /nfs/dbraw/zinc/75/69/63/1025756963.db2.gz QMLVCQCZKYOVRM-UHFFFAOYSA-N 1 0 387.325 3.699 20 30 GHEDRO C=CCOc1ccccc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001139028011 1025795597 /nfs/dbraw/zinc/79/55/97/1025795597.db2.gz IXCTXIFWJBEXIN-VJBWXMMDSA-N 1 0 394.563 3.821 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC001139030514 1025798785 /nfs/dbraw/zinc/79/87/85/1025798785.db2.gz ITEKRVDGXLWOOQ-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC001139032311 1025802318 /nfs/dbraw/zinc/80/23/18/1025802318.db2.gz JTMYNHHKNPKYCO-OAQYLSRUSA-N 1 0 376.500 3.890 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC001139032310 1025803128 /nfs/dbraw/zinc/80/31/28/1025803128.db2.gz JTMYNHHKNPKYCO-NRFANRHFSA-N 1 0 376.500 3.890 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001162664644 1025860651 /nfs/dbraw/zinc/86/06/51/1025860651.db2.gz YRASUYXQGMOOGE-QFIPXVFZSA-N 1 0 376.460 3.959 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC001139073687 1025878578 /nfs/dbraw/zinc/87/85/78/1025878578.db2.gz PDJZABCINXQEMT-AZUAARDMSA-N 1 0 379.884 3.642 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139079430 1025891633 /nfs/dbraw/zinc/89/16/33/1025891633.db2.gz DYUYOAGKTFCJLE-IRLDBZIGSA-N 1 0 381.476 3.595 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC001139117083 1025925843 /nfs/dbraw/zinc/92/58/43/1025925843.db2.gz MZXQCCAFDBLPGM-NRFANRHFSA-N 1 0 392.927 3.890 20 30 GHEDRO C[NH+](C)C[C@H](Nc1nc2c(cc1C#N)COCC2)C12CC3CC(CC(C3)C1)C2 ZINC001162816641 1025929132 /nfs/dbraw/zinc/92/91/32/1025929132.db2.gz DVLHCJPYICPSOY-RWENRRORSA-N 1 0 380.536 3.584 20 30 GHEDRO C#CC[N@@H+](CCc1cncs1)[C@H]1CCOc2ccc(Br)cc21 ZINC000839492017 1025981046 /nfs/dbraw/zinc/98/10/46/1025981046.db2.gz OPLYTICKUPNHQO-INIZCTEOSA-N 1 0 377.307 3.907 20 30 GHEDRO Cc1nnc(NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)c(C#N)c1C ZINC001162948202 1025981227 /nfs/dbraw/zinc/98/12/27/1025981227.db2.gz BMQVHCNTZUVCMP-IAGOWNOFSA-N 1 0 393.535 3.586 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C(F)(F)F)C3)sc2C1 ZINC000839532826 1026023324 /nfs/dbraw/zinc/02/33/24/1026023324.db2.gz DASNDODAHJPFRH-VXGBXAGGSA-N 1 0 385.455 3.957 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2Nc2ccc([C@@H](C[NH3+])CO)cc2)cc1 ZINC001163058692 1026029999 /nfs/dbraw/zinc/02/99/99/1026029999.db2.gz PFYKDXDYSBUJFE-HNNXBMFYSA-N 1 0 395.850 3.572 20 30 GHEDRO Cc1cccc2[nH]cc(C[N@@H+]3CC[C@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c21 ZINC001139196993 1026035972 /nfs/dbraw/zinc/03/59/72/1026035972.db2.gz AACYVJWBUIYTBI-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001163211310 1026088807 /nfs/dbraw/zinc/08/88/07/1026088807.db2.gz DFYQEDHSMZEEJQ-QRZCNPRISA-N 1 0 384.549 3.786 20 30 GHEDRO N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163226276 1026096031 /nfs/dbraw/zinc/09/60/31/1026096031.db2.gz DYMYPFUXCZOCQF-CQSZACIVSA-N 1 0 385.836 3.986 20 30 GHEDRO N#CCc1ccc(OCc2ccc(NC[C@@H]3Cc4ccccc4C[NH2+]3)nc2)cc1 ZINC001163274492 1026119686 /nfs/dbraw/zinc/11/96/86/1026119686.db2.gz SUEQHSXYQQGGIW-QFIPXVFZSA-N 1 0 384.483 3.853 20 30 GHEDRO COc1cccc([C@H](C[NH3+])NC(F)(F)c2cc(Cl)nc(Cl)c2C#N)c1 ZINC001163303416 1026132956 /nfs/dbraw/zinc/13/29/56/1026132956.db2.gz LGGMMQDKOQNVCY-ZDUSSCGKSA-N 1 0 387.217 3.608 20 30 GHEDRO COc1cccc([C@H](C[NH3+])Nc2cnc(Cl)nc2Oc2ccccc2C#N)c1 ZINC001163311849 1026136214 /nfs/dbraw/zinc/13/62/14/1026136214.db2.gz HVXUPWGUQAYADG-INIZCTEOSA-N 1 0 395.850 3.914 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N3CCCCC3)nc1)C2 ZINC001139343058 1026207313 /nfs/dbraw/zinc/20/73/13/1026207313.db2.gz PVQUNFNZDLBHSM-FYYLOGMGSA-N 1 0 385.552 3.646 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH+]3CCC(C#Cc4ccccc4)CC3)cn2)C[C@H](C)O1 ZINC001139387240 1026253003 /nfs/dbraw/zinc/25/30/03/1026253003.db2.gz APAYXINMAFICAO-SFTDATJTSA-N 1 0 389.543 3.959 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH+]3CCC(c4ccc(C#N)cc4)CC3)cn2)C[C@H](C)O1 ZINC001139387697 1026254877 /nfs/dbraw/zinc/25/48/77/1026254877.db2.gz FRVOUXQRWNHJRP-OALUTQOASA-N 1 0 390.531 3.946 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)cc2)c1 ZINC001139401994 1026273719 /nfs/dbraw/zinc/27/37/19/1026273719.db2.gz KKVVMULUQZTFRL-IBGZPJMESA-N 1 0 375.394 3.900 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)cc2)c1 ZINC001139402900 1026274149 /nfs/dbraw/zinc/27/41/49/1026274149.db2.gz AHZKFSHUVDKFIO-UPVQGACJSA-N 1 0 389.499 3.780 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCCN(C(=O)c4ccco4)CC3)cc2)c1 ZINC001139405502 1026277382 /nfs/dbraw/zinc/27/73/82/1026277382.db2.gz RXCITMIWEHJLSA-UHFFFAOYSA-N 1 0 386.455 3.561 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CCC[N@H+](Cc4ccncc4)CC3)cn2)cc1 ZINC001139424433 1026294894 /nfs/dbraw/zinc/29/48/94/1026294894.db2.gz QQZFYFDJYFXPOH-UHFFFAOYSA-N 1 0 399.498 3.848 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001163885786 1026350915 /nfs/dbraw/zinc/35/09/15/1026350915.db2.gz HJOIRMNSHPBDDG-UHFFFAOYSA-N 1 0 385.628 3.639 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)cc1F ZINC001139528137 1026386496 /nfs/dbraw/zinc/38/64/96/1026386496.db2.gz LEWWHMCNOISSRM-QRTHJKPMSA-N 1 0 381.426 3.933 20 30 GHEDRO COCCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139531383 1026389926 /nfs/dbraw/zinc/38/99/26/1026389926.db2.gz ZBCFWBRJRFPABM-SFHVURJKSA-N 1 0 391.487 3.545 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC001164084723 1026406647 /nfs/dbraw/zinc/40/66/47/1026406647.db2.gz QZKCEQQDGOQEME-UHFFFAOYSA-N 1 0 378.520 3.912 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001461105720 1069392462 /nfs/dbraw/zinc/39/24/62/1069392462.db2.gz OGNJCXAGZLRIQD-NOZRDPDXSA-N 1 0 387.527 3.986 20 30 GHEDRO CCOc1ccc(C)cc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001139603578 1026466562 /nfs/dbraw/zinc/46/65/62/1026466562.db2.gz HNQJVAXIGMVATO-XMMPIXPASA-N 1 0 389.499 3.894 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(C)nc4cc(C)ccn43)C2)CC1 ZINC001139674499 1026529048 /nfs/dbraw/zinc/52/90/48/1026529048.db2.gz SZTYNYBQWZEIMI-UHFFFAOYSA-N 1 0 396.535 3.952 20 30 GHEDRO N#Cc1cccc2c(CN3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c[nH]c21 ZINC001139705053 1026549510 /nfs/dbraw/zinc/54/95/10/1026549510.db2.gz KTCPECFAROHWKM-PZJWPPBQSA-N 1 0 390.462 3.516 20 30 GHEDRO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c[nH]c5c4cccc5C#N)C3)CC2=O)c1 ZINC001139705028 1026549923 /nfs/dbraw/zinc/54/99/23/1026549923.db2.gz JYRIHUNKOLOKOE-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1C#N ZINC001139723725 1026565820 /nfs/dbraw/zinc/56/58/20/1026565820.db2.gz FGJCZUSWXGRYDN-GGAORHGYSA-N 1 0 377.488 3.712 20 30 GHEDRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccc(C)c(C#N)c2)CC3)cs1 ZINC001139724631 1026567607 /nfs/dbraw/zinc/56/76/07/1026567607.db2.gz YAMBVUIDDPUDOU-NRFANRHFSA-N 1 0 397.544 3.972 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165083355 1026594879 /nfs/dbraw/zinc/59/48/79/1026594879.db2.gz HFXKAGOLFSCMOU-DLBZAZTESA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC001139768637 1026604760 /nfs/dbraw/zinc/60/47/60/1026604760.db2.gz RTPSWPMNQVKIRT-VQTJNVASSA-N 1 0 388.556 3.928 20 30 GHEDRO C[NH+](C)C1(C)CN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)C1 ZINC001165121684 1026617337 /nfs/dbraw/zinc/61/73/37/1026617337.db2.gz KGUDADMCXVEMCH-UHFFFAOYSA-N 1 0 376.838 3.959 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(COC)s3)C[C@@H]2c2ccccc2)C1=O ZINC001139826487 1026647081 /nfs/dbraw/zinc/64/70/81/1026647081.db2.gz UCILVQXNGMNGLO-GGAORHGYSA-N 1 0 396.556 3.899 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N(Cc1cccnc1)C1CCC([NH3+])CC1 ZINC001165197526 1026659546 /nfs/dbraw/zinc/65/95/46/1026659546.db2.gz VIIRWQTXRRZWPY-UHFFFAOYSA-N 1 0 391.853 3.823 20 30 GHEDRO N#Cc1cc(F)cc(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001139874529 1026690193 /nfs/dbraw/zinc/69/01/93/1026690193.db2.gz BIUBAGHQCJHOPK-UHFFFAOYSA-N 1 0 379.479 3.564 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)c1 ZINC001139876633 1026691149 /nfs/dbraw/zinc/69/11/49/1026691149.db2.gz HANWMXYUDAOHMZ-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2cc(F)cc(C#N)c2)CC1 ZINC001139875216 1026692028 /nfs/dbraw/zinc/69/20/28/1026692028.db2.gz VXFCBGHAXHHFAE-UHFFFAOYSA-N 1 0 397.494 3.811 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165305461 1026698951 /nfs/dbraw/zinc/69/89/51/1026698951.db2.gz ZOPCCJYFSKWXNC-AWEZNQCLSA-N 1 0 395.816 3.808 20 30 GHEDRO N#Cc1cc(Cl)c(Cl)nc1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165305503 1026699160 /nfs/dbraw/zinc/69/91/60/1026699160.db2.gz MNGZHFRLFSOXSE-LLVKDONJSA-N 1 0 379.213 3.913 20 30 GHEDRO C[N@H+](Cc1ccc2n1CCN(C(=O)OC(C)(C)C)C2)Cc1cccc(C#N)c1 ZINC001139927567 1026737280 /nfs/dbraw/zinc/73/72/80/1026737280.db2.gz JKSLPKNREQJQHT-UHFFFAOYSA-N 1 0 380.492 3.742 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc4c(cnn4C)c3)CC2)C1 ZINC001139949053 1026753806 /nfs/dbraw/zinc/75/38/06/1026753806.db2.gz YKWWDQIPLZZTCO-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccccc1-c1cncnc1)CCO2 ZINC001140019600 1026803646 /nfs/dbraw/zinc/80/36/46/1026803646.db2.gz GZGUQJMWYSQKRX-JTHBVZDNSA-N 1 0 379.504 3.717 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3OC)C2)C1 ZINC001140056513 1026837118 /nfs/dbraw/zinc/83/71/18/1026837118.db2.gz ZQQMWTSYGILFLH-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C2)C1 ZINC001140110952 1026892598 /nfs/dbraw/zinc/89/25/98/1026892598.db2.gz VOBQXKMDHYOTSK-JOCHJYFZSA-N 1 0 380.492 3.872 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4c[nH]c5ccc(C#N)cc45)C3)C2=O)c1 ZINC001140113485 1026894393 /nfs/dbraw/zinc/89/43/93/1026894393.db2.gz GRBVUMNOSWHEBE-RUZDIDTESA-N 1 0 398.510 3.973 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CCC(=O)N4Cc4ccncc4)CC3)c2c1 ZINC001140113924 1026895554 /nfs/dbraw/zinc/89/55/54/1026895554.db2.gz MQSJXDSKTAYMHL-UHFFFAOYSA-N 1 0 399.498 3.592 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4c[nH]c5ccc(C#N)cc45)C3)CC2=O)cc1 ZINC001140114015 1026895894 /nfs/dbraw/zinc/89/58/94/1026895894.db2.gz HNDFZGDQICBCFI-DEOSSOPVSA-N 1 0 384.483 3.977 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCC4(C3)CCN(C(=O)c3cccnc3)CC4)c2c1 ZINC001140114300 1026896020 /nfs/dbraw/zinc/89/60/20/1026896020.db2.gz SUSXBYGBQUYJFQ-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CCN(c5ncccn5)CC4)CC3)c2c1 ZINC001140113967 1026896064 /nfs/dbraw/zinc/89/60/64/1026896064.db2.gz NLVMSJWVOBFUIL-UHFFFAOYSA-N 1 0 386.503 3.712 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]12 ZINC001140114109 1026896200 /nfs/dbraw/zinc/89/62/00/1026896200.db2.gz PABUIBXJTOQNSK-JWQCQUIFSA-N 1 0 398.510 3.804 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001140137412 1026911403 /nfs/dbraw/zinc/91/14/03/1026911403.db2.gz HRQIFXFHMHHUGL-UHFFFAOYSA-N 1 0 397.494 3.811 20 30 GHEDRO Cc1ccc(N(c2ccc(Cl)c(C#N)n2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001166312235 1026971042 /nfs/dbraw/zinc/97/10/42/1026971042.db2.gz LECZSGFJQRTLNJ-UHFFFAOYSA-N 1 0 390.878 3.863 20 30 GHEDRO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2ccc3[nH]cnc3c2)c1 ZINC001209849831 1027240417 /nfs/dbraw/zinc/24/04/17/1027240417.db2.gz DGGGDGCKJMWBRZ-JHDGKUDLSA-N 1 0 386.455 3.755 20 30 GHEDRO CC[NH+](CC)CCn1cc(Nc2ccc(Br)c(F)c2C#N)cn1 ZINC001203265536 1027254300 /nfs/dbraw/zinc/25/43/00/1027254300.db2.gz OUJQZGJKJJPIAW-UHFFFAOYSA-N 1 0 380.265 3.742 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(F)cc1I)C2 ZINC001203446194 1027343038 /nfs/dbraw/zinc/34/30/38/1027343038.db2.gz DILWLNLPQUEKAE-MRXNPFEDSA-N 1 0 392.215 3.559 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3ccc(-c4ccccc4C#N)cc3)C[C@H]1[N@@H+]2C ZINC001210247224 1027401031 /nfs/dbraw/zinc/40/10/31/1027401031.db2.gz RUAPDRCWZFBBDG-ZQRMPTRQSA-N 1 0 390.483 3.909 20 30 GHEDRO C=C(C)c1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001210299223 1027435345 /nfs/dbraw/zinc/43/53/45/1027435345.db2.gz CCEWDQNAQYQBHF-JOCHJYFZSA-N 1 0 379.504 3.998 20 30 GHEDRO COc1ccc(Nc2cc(C)cc(C#N)c2)cc1OCCCN1CC[NH+](C)CC1 ZINC001210391539 1027484656 /nfs/dbraw/zinc/48/46/56/1027484656.db2.gz VOHFSILEOPBMBG-UHFFFAOYSA-N 1 0 394.519 3.635 20 30 GHEDRO N#Cc1ccc(C[N@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)cc1 ZINC001203901032 1027694512 /nfs/dbraw/zinc/69/45/12/1027694512.db2.gz DORRJTFMLMZULM-NRFANRHFSA-N 1 0 393.462 3.565 20 30 GHEDRO CSc1nc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC001141941747 1027717539 /nfs/dbraw/zinc/71/75/39/1027717539.db2.gz WDHTXOVXEBZUBW-QFIPXVFZSA-N 1 0 378.545 3.773 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC001204136517 1027908771 /nfs/dbraw/zinc/90/87/71/1027908771.db2.gz VLCQEERXBXAFNX-UHFFFAOYSA-N 1 0 389.543 3.648 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000841201474 1028274043 /nfs/dbraw/zinc/27/40/43/1028274043.db2.gz XTCBSJVXIJIPHY-YVEFUNNKSA-N 1 0 390.365 3.731 20 30 GHEDRO C[N@@H+](Cc1ccccc1Nc1ccncc1C#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC001214020774 1028508919 /nfs/dbraw/zinc/50/89/19/1028508919.db2.gz YNYSWAKEFJEGQP-JOCHJYFZSA-N 1 0 392.890 3.938 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)NCC3(C#N)CCC3)cc2Cl)CC1 ZINC000841600579 1028763948 /nfs/dbraw/zinc/76/39/48/1028763948.db2.gz AVVVPLFFZKRIFP-UHFFFAOYSA-N 1 0 389.931 3.687 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001214630644 1028826116 /nfs/dbraw/zinc/82/61/16/1028826116.db2.gz XPUIQRMYRXOPDY-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(CO)c(C(F)(F)F)c3)cc2C#N)CC1 ZINC001214683044 1028857540 /nfs/dbraw/zinc/85/75/40/1028857540.db2.gz IKLUSUUASYNIAS-UHFFFAOYSA-N 1 0 390.409 3.565 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC001142416646 1028858447 /nfs/dbraw/zinc/85/84/47/1028858447.db2.gz CVWDKAQJANOTNK-HXUWFJFHSA-N 1 0 377.532 3.760 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)c2)s1 ZINC000841831560 1028971663 /nfs/dbraw/zinc/97/16/63/1028971663.db2.gz WHOMLDIWDCHENW-FQEVSTJZSA-N 1 0 394.544 3.960 20 30 GHEDRO CC1CC[NH+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001214963284 1028978969 /nfs/dbraw/zinc/97/89/69/1028978969.db2.gz UHRNTMDWNBLNRW-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](O)c1cc(Cl)ccc1OC ZINC001461502951 1069580633 /nfs/dbraw/zinc/58/06/33/1069580633.db2.gz IXUQXFBPVNYKQQ-KRWDZBQOSA-N 1 0 380.271 3.837 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)CCC(C)(C)C)c1=S ZINC000842632133 1029436575 /nfs/dbraw/zinc/43/65/75/1029436575.db2.gz SQUTVURQBDNPTM-UHFFFAOYSA-N 1 0 379.618 3.954 20 30 GHEDRO O=C1C=C2CN(Cc3ccc(OC(F)F)c(OC(F)F)c3)CC[C@H]2S1 ZINC001142811299 1029513438 /nfs/dbraw/zinc/51/34/38/1029513438.db2.gz IFMIYJJMXLBTGC-CYBMUJFWSA-N 1 0 377.359 3.664 20 30 GHEDRO O=C(C#Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001142860183 1029596145 /nfs/dbraw/zinc/59/61/45/1029596145.db2.gz SLBFFKBYGBTKLN-UHFFFAOYSA-N 1 0 386.417 3.838 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC3)NC(=O)C[C@@H]4c3ccccc3)c[nH]c2c1 ZINC001142917073 1029690260 /nfs/dbraw/zinc/69/02/60/1029690260.db2.gz RDRGVWGTULFTQU-OAQYLSRUSA-N 1 0 384.483 3.678 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC(NC(=O)c4ccc(F)cc4)CC3)c[nH]c2c1 ZINC001142926478 1029702480 /nfs/dbraw/zinc/70/24/80/1029702480.db2.gz QYWMNHHQTJBHNY-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CC)[C@H](O)C(C)C)cc1OC ZINC001461578849 1069620293 /nfs/dbraw/zinc/62/02/93/1069620293.db2.gz GKEUEMVDZRURIM-NVXWUHKLSA-N 1 0 386.330 3.908 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3scc4c3OCCO4)C2)CC1 ZINC001143178733 1029885595 /nfs/dbraw/zinc/88/55/95/1029885595.db2.gz LKSDBQRETGRGMF-UHFFFAOYSA-N 1 0 392.521 3.520 20 30 GHEDRO C[C@@H]1CN(Cc2cc(F)cc(OC(F)(F)F)c2)CC[C@]1(O)C(F)(F)F ZINC001143256683 1029952315 /nfs/dbraw/zinc/95/23/15/1029952315.db2.gz RBATZQNSYFEVFS-NOZJJQNGSA-N 1 0 375.284 3.860 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000843482006 1030034450 /nfs/dbraw/zinc/03/44/50/1030034450.db2.gz YXOWFKSFDDGGAT-ARWBIZCKSA-N 1 0 384.520 3.511 20 30 GHEDRO Cc1cc(-c2noc(-c3ccc(Cl)cc3N3CC[NH+](C)CC3)n2)ccc1C#N ZINC001217008796 1030081585 /nfs/dbraw/zinc/08/15/85/1030081585.db2.gz KNEXVCPNMYRATK-UHFFFAOYSA-N 1 0 393.878 3.989 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4cc5cc(C#N)ccc5[nH]4)n3)c2)CC1 ZINC001217636547 1030559728 /nfs/dbraw/zinc/55/97/28/1030559728.db2.gz HYCSKFIZHCFVPG-UHFFFAOYSA-N 1 0 384.443 3.508 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CCCC[NH2+]C2)c1OC ZINC001217976564 1030700335 /nfs/dbraw/zinc/70/03/35/1030700335.db2.gz XABQAUASAUNKKX-FMQWLBJXSA-N 1 0 397.471 3.826 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217982655 1030704225 /nfs/dbraw/zinc/70/42/25/1030704225.db2.gz HVTUDOINQWJCTA-UXHICEINSA-N 1 0 393.462 3.583 20 30 GHEDRO COc1cc(O[C@H]2C[NH2+]CCC[C@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001217986827 1030706674 /nfs/dbraw/zinc/70/66/74/1030706674.db2.gz VLXIIMIQOFXSJH-ZRASIIIASA-N 1 0 385.435 3.766 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CCC[NH2+]CC2)c1OC ZINC001217997805 1030714327 /nfs/dbraw/zinc/71/43/27/1030714327.db2.gz XGZGTDVPVZFWLK-DVQDXYAYSA-N 1 0 397.471 3.826 20 30 GHEDRO COc1cc(O[C@@H]2CCC[NH2+]CC2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001218000138 1030715419 /nfs/dbraw/zinc/71/54/19/1030715419.db2.gz NBSZTCUUGHTONG-QIPHDZALSA-N 1 0 395.455 3.580 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218015730 1030724758 /nfs/dbraw/zinc/72/47/58/1030724758.db2.gz BDDOSURKOZHPLM-VHEDZXPGSA-N 1 0 397.494 3.789 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(OC3CC4(C3)CC[NH2+]C4)c2C1=O ZINC001218064502 1030751425 /nfs/dbraw/zinc/75/14/25/1030751425.db2.gz ZIAVPUQVVSTIKD-UHFFFAOYSA-N 1 0 381.472 3.965 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218080705 1030760698 /nfs/dbraw/zinc/76/06/98/1030760698.db2.gz DSHZANCRGBWELU-MULIUROHSA-N 1 0 379.456 3.905 20 30 GHEDRO C=CCc1ccc(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)c(-c2ccc(O)c(CC=C)c2)c1 ZINC001218105703 1030775642 /nfs/dbraw/zinc/77/56/42/1030775642.db2.gz URRXYHHVGQJXKP-FCHUYYIVSA-N 1 0 390.527 3.941 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001218126917 1030787334 /nfs/dbraw/zinc/78/73/34/1030787334.db2.gz ARTFWAPUMYDOAN-SBUREZEXSA-N 1 0 384.520 3.941 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1c(Br)c(C(F)(F)F)nc2ccccc21 ZINC001218199758 1030821431 /nfs/dbraw/zinc/82/14/31/1030821431.db2.gz HIHFQBYLWUCNIL-KCJUWKMLSA-N 1 0 386.171 3.506 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)c2c(c1OC)O[C@@H](c1ccccc1)CC2=O ZINC001218209242 1030830808 /nfs/dbraw/zinc/83/08/08/1030830808.db2.gz WAJKGUGGMYZLCB-XLIONFOSSA-N 1 0 395.455 3.707 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(I)cc1C(F)(F)F ZINC001218211042 1030833354 /nfs/dbraw/zinc/83/33/54/1030833354.db2.gz PKTNOXAAOMQVGP-GFCCVEGCSA-N 1 0 383.151 3.607 20 30 GHEDRO C=CCN1C[C@@]2(CC[N@@H+](Cc3sc(Cl)c4ccccc43)C2)OCC1=O ZINC001276937825 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UGUAPTJTTRIARW-CYBMUJFWSA-N 1 0 376.485 3.858 20 30 GHEDRO N#Cc1c(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218552227 1030984254 /nfs/dbraw/zinc/98/42/54/1030984254.db2.gz OBQUQEOFEXOLAR-IBGZPJMESA-N 1 0 397.438 3.717 20 30 GHEDRO N#Cc1ccc(-c2csc(NC(=O)C[C@@H]3Cc4ccccc4C[NH2+]3)n2)s1 ZINC001218787884 1031079698 /nfs/dbraw/zinc/07/96/98/1031079698.db2.gz LZZLSXXGMSTQRF-AWEZNQCLSA-N 1 0 380.498 3.786 20 30 GHEDRO C=CCN1c2ccc(NC(=O)CCCCCCC[NH3+])cc2C2(CCOCC2)C1=O ZINC001218837524 1031105746 /nfs/dbraw/zinc/10/57/46/1031105746.db2.gz QFYUZOIDYXRIDL-UHFFFAOYSA-N 1 0 399.535 3.505 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cc(F)cc(OCc2ccccc2)c1 ZINC001219075999 1031244356 /nfs/dbraw/zinc/24/43/56/1031244356.db2.gz BEAWGXKEEGOJML-QFIPXVFZSA-N 1 0 389.430 3.785 20 30 GHEDRO CCc1cc(NC(=O)[C@@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)cc(CC)c1C#N ZINC001219112368 1031257937 /nfs/dbraw/zinc/25/79/37/1031257937.db2.gz FDWMNCOXLOWSJI-WIYYLYMNSA-N 1 0 396.560 3.847 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)cc1 ZINC001219271110 1031335873 /nfs/dbraw/zinc/33/58/73/1031335873.db2.gz POYVJDHUZLINJZ-AUSIDOKSSA-N 1 0 375.472 3.713 20 30 GHEDRO CC(C)(C)OC(=O)c1cc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)ccc1F ZINC001219358169 1031375015 /nfs/dbraw/zinc/37/50/15/1031375015.db2.gz AUZXUWDALLVVDK-INIZCTEOSA-N 1 0 397.450 3.551 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC001219366870 1031380770 /nfs/dbraw/zinc/38/07/70/1031380770.db2.gz OHAWXTYNNPHCGE-CVEARBPZSA-N 1 0 379.464 3.610 20 30 GHEDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nc2ccc(Br)cc2cc1C#N ZINC001225416105 1031397937 /nfs/dbraw/zinc/39/79/37/1031397937.db2.gz RJUSPHXSJYYIGE-MCBXIFIFSA-N 1 0 386.293 3.978 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219645114 1031537484 /nfs/dbraw/zinc/53/74/84/1031537484.db2.gz IQKDITIUAUBOGG-UXHICEINSA-N 1 0 381.605 3.728 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=O)C#Cc1ccc(F)cc1F)CC21CC[NH2+]CC1 ZINC001219753497 1031594476 /nfs/dbraw/zinc/59/44/76/1031594476.db2.gz IXMBRRFPUHWODO-OAQYLSRUSA-N 1 0 380.438 3.507 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=O)C1(c3ccccc3C#N)CC1)CC21CC[NH2+]CC1 ZINC001219757536 1031597694 /nfs/dbraw/zinc/59/76/94/1031597694.db2.gz PJUXZTZGHKFPPP-QFIPXVFZSA-N 1 0 385.511 3.781 20 30 GHEDRO Cc1ccc2c(c1)[C@H](NC(=O)c1cc3cc(C#N)ccc3[nH]1)CC21CC[NH2+]CC1 ZINC001219765268 1031607134 /nfs/dbraw/zinc/60/71/34/1031607134.db2.gz YBBPGWAPRLIAGF-JOCHJYFZSA-N 1 0 384.483 3.844 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC001219884192 1031674926 /nfs/dbraw/zinc/67/49/26/1031674926.db2.gz USZLRAXXXLIWMD-OAHLLOKOSA-N 1 0 384.430 3.965 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C(C)(C)C ZINC001219911344 1031689331 /nfs/dbraw/zinc/68/93/31/1031689331.db2.gz DHELVIWOUCPEBA-HZPDHXFCSA-N 1 0 384.446 3.827 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)ccc1Cl ZINC001277083600 1031695136 /nfs/dbraw/zinc/69/51/36/1031695136.db2.gz LUXIKWQKOYYUMP-KRWDZBQOSA-N 1 0 385.817 3.588 20 30 GHEDRO N#CC1(NC(=O)c2c[nH]c3cnc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001154237163 1031999026 /nfs/dbraw/zinc/99/90/26/1031999026.db2.gz OVQNLOBMPSJOGT-UHFFFAOYSA-N 1 0 393.878 3.504 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)ccc1F ZINC001205467143 1033425677 /nfs/dbraw/zinc/42/56/77/1033425677.db2.gz JYPKOYPYSKKXPC-NRFANRHFSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)NC(=N)SCC[NH3+])cnc2Cl)c1 ZINC001157136296 1033430900 /nfs/dbraw/zinc/43/09/00/1033430900.db2.gz GFBOBUFKHLDFFK-UHFFFAOYSA-N 1 0 381.839 3.539 20 30 GHEDRO CC[NH+]1CCC(Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)CC1 ZINC001229379321 1033447486 /nfs/dbraw/zinc/44/74/86/1033447486.db2.gz DCEFEYNARRRZGK-WZGDJCGDSA-N 1 0 379.504 3.793 20 30 GHEDRO C[N@@H+]1CCC[C@@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001229586017 1033573712 /nfs/dbraw/zinc/57/37/12/1033573712.db2.gz AWSGXLVTJSPRNC-IOMDMTNGSA-N 1 0 383.444 3.563 20 30 GHEDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001229587196 1033574653 /nfs/dbraw/zinc/57/46/53/1033574653.db2.gz SYWFJCMBUWTOBA-ORFBHMLVSA-N 1 0 397.471 3.951 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC001229618648 1033595145 /nfs/dbraw/zinc/59/51/45/1033595145.db2.gz BSGBZKSPMRABCI-NRFANRHFSA-N 1 0 387.568 3.600 20 30 GHEDRO N#Cc1c(F)ccnc1N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001157664883 1033710392 /nfs/dbraw/zinc/71/03/92/1033710392.db2.gz DUSOJARCADGNHT-UHFFFAOYSA-N 1 0 394.494 3.742 20 30 GHEDRO N#Cc1sc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)nc1Cl ZINC001206137398 1033736101 /nfs/dbraw/zinc/73/61/01/1033736101.db2.gz OQPYGCZCVYFBGW-UHFFFAOYSA-N 1 0 389.912 3.702 20 30 GHEDRO CC(C)(C)[NH+]1CCC(Oc2ccc(C#N)cc2I)CC1 ZINC001229907672 1033786566 /nfs/dbraw/zinc/78/65/66/1033786566.db2.gz IHXUAVMZWBXRST-UHFFFAOYSA-N 1 0 384.261 3.805 20 30 GHEDRO CC(=O)N1c2ccc(O)cc2Oc2cc(O[C@H](CC#N)C[N+](C)(C)C)ccc21 ZINC001229968147 1033822513 /nfs/dbraw/zinc/82/25/13/1033822513.db2.gz MAPHSAHSJLYRPL-QGZVFWFLSA-O 1 0 382.440 3.550 20 30 GHEDRO Cc1ccc(CC#N)c(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)n1 ZINC001158092065 1033910498 /nfs/dbraw/zinc/91/04/98/1033910498.db2.gz LBLSTXJYCCSSLI-UHFFFAOYSA-N 1 0 375.398 3.760 20 30 GHEDRO COc1ccc(CN(c2ccc3[nH]c(C#N)cc3n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158158639 1033943615 /nfs/dbraw/zinc/94/36/15/1033943615.db2.gz QVGRLRMNLPGETO-SAABIXHNSA-N 1 0 375.476 3.720 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1)C1CCOCC1 ZINC001206728792 1033960667 /nfs/dbraw/zinc/96/06/67/1033960667.db2.gz WNGMMAWIXDJTJT-ZGXWSNOMSA-N 1 0 376.541 3.573 20 30 GHEDRO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001158229935 1033973152 /nfs/dbraw/zinc/97/31/52/1033973152.db2.gz JVCLSQNRWVWGHR-KRWDZBQOSA-N 1 0 383.442 3.631 20 30 GHEDRO C#CC1(O)CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC001206779272 1033980508 /nfs/dbraw/zinc/98/05/08/1033980508.db2.gz FBFONSMQHWHUBI-UHFFFAOYSA-N 1 0 375.447 3.639 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(-c3ccc(OC)cc3)on1)C2 ZINC001206824684 1034004837 /nfs/dbraw/zinc/00/48/37/1034004837.db2.gz YKKVALUYCXTNAG-DHIUTWEWSA-N 1 0 398.503 3.924 20 30 GHEDRO CCOC(=O)/C=C/c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001230402766 1034036228 /nfs/dbraw/zinc/03/62/28/1034036228.db2.gz RKURKQDDOWTQHT-RUCTVCJSSA-N 1 0 376.456 3.788 20 30 GHEDRO C#CCN(C(=O)NCCCc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC001230457650 1034072430 /nfs/dbraw/zinc/07/24/30/1034072430.db2.gz RTQXCGBMYXBNOX-UHFFFAOYSA-N 1 0 382.335 3.665 20 30 GHEDRO C=CCN(CC[N@@H+](C[C@@H](O)c1ccccc1OC)C(C)C)C(=O)OC(C)(C)C ZINC001207203572 1034170506 /nfs/dbraw/zinc/17/05/06/1034170506.db2.gz JAEFEOSAALJMFN-LJQANCHMSA-N 1 0 392.540 3.862 20 30 GHEDRO N#Cc1cc2nc(-n3cc(CC[NH3+])c4ccc(OC(F)(F)F)cc43)ccc2[nH]1 ZINC001158670513 1034225018 /nfs/dbraw/zinc/22/50/18/1034225018.db2.gz WXDBOAZCZYSVDS-UHFFFAOYSA-N 1 0 385.349 3.778 20 30 GHEDRO C[C@@]1(C[NH3+])CCCN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001158681625 1034229601 /nfs/dbraw/zinc/22/96/01/1034229601.db2.gz DLZOYNSCKWUMCE-SFHVURJKSA-N 1 0 391.853 3.779 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3cccc(Cl)c32)C1 ZINC001230885371 1034271051 /nfs/dbraw/zinc/27/10/51/1034271051.db2.gz KBYHVQKLOWAYOI-HNNXBMFYSA-N 1 0 380.835 3.514 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCc3ccccc3OC)C[C@@H]2c2ccccc2)C1=O ZINC001207453137 1034376005 /nfs/dbraw/zinc/37/60/05/1034376005.db2.gz VBBXBLRPBPNUOJ-RDGATRHJSA-N 1 0 390.527 3.742 20 30 GHEDRO CC1CCN(C(=O)c2cccc(Nc3sc4c(c3C#N)CC[NH2+]C4)c2)CC1 ZINC001159154291 1034456925 /nfs/dbraw/zinc/45/69/25/1034456925.db2.gz QIRVJDZXLXYVBT-UHFFFAOYSA-N 1 0 380.517 3.881 20 30 GHEDRO N#Cc1cnc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c(I)c1 ZINC001159214929 1034489198 /nfs/dbraw/zinc/48/91/98/1034489198.db2.gz FPYBIKJMERTGRB-HNNXBMFYSA-N 1 0 390.228 3.726 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC)nc3Cl)CC2)C1=O ZINC001277505570 1034510510 /nfs/dbraw/zinc/51/05/10/1034510510.db2.gz AISVDUGWRBUIKG-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO N#Cc1cnn(-c2ccc(Br)cc2)c1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159267508 1034512892 /nfs/dbraw/zinc/51/28/92/1034512892.db2.gz ARKFMYNWGLVOMQ-UHFFFAOYSA-N 1 0 380.249 3.853 20 30 GHEDRO C#CCN(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC001231399705 1034562478 /nfs/dbraw/zinc/56/24/78/1034562478.db2.gz IVPUUQLHJNCCDO-VWNXMTODSA-N 1 0 387.527 3.983 20 30 GHEDRO COc1cc(C#N)ccc1OC1CCN(Cc2c(F)ccc(F)c2OC)CC1 ZINC001231414078 1034567769 /nfs/dbraw/zinc/56/77/69/1034567769.db2.gz FMEAACNYSBBBBR-UHFFFAOYSA-N 1 0 388.414 3.897 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001207805670 1034583631 /nfs/dbraw/zinc/58/36/31/1034583631.db2.gz HUTFQKLPUJTOPG-QZTJIDSGSA-N 1 0 379.545 3.712 20 30 GHEDRO N#Cc1cc2c(nc1N[C@H]1CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC1)CCCC2 ZINC001159628874 1034696140 /nfs/dbraw/zinc/69/61/40/1034696140.db2.gz JCTUBRDWTWMXEX-HZCBDIJESA-N 1 0 393.579 3.583 20 30 GHEDRO COc1cc(Br)c(F)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159741696 1034729728 /nfs/dbraw/zinc/72/97/28/1034729728.db2.gz PCBPRVOKWXTVSB-UHFFFAOYSA-N 1 0 376.229 3.899 20 30 GHEDRO N#Cc1ccc(I)c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001159757474 1034734568 /nfs/dbraw/zinc/73/45/68/1034734568.db2.gz OYOBXQKRHWURLC-UHFFFAOYSA-N 1 0 375.213 3.552 20 30 GHEDRO N#Cc1c(F)c(Br)ccc1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159789645 1034743091 /nfs/dbraw/zinc/74/30/91/1034743091.db2.gz FBJNQCLKBUWVJO-UHFFFAOYSA-N 1 0 389.272 3.609 20 30 GHEDRO N#Cc1cc(Nc2c(F)cccc2I)cc(C2C[NH2+]C2)c1 ZINC001159850652 1034762326 /nfs/dbraw/zinc/76/23/26/1034762326.db2.gz MYONNDSVBDGCPW-UHFFFAOYSA-N 1 0 393.203 3.732 20 30 GHEDRO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)CC1 ZINC001208158448 1034763592 /nfs/dbraw/zinc/76/35/92/1034763592.db2.gz BFKFJONIHQLDFR-AWRGLXIESA-N 1 0 394.563 3.864 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)CC1 ZINC001208175427 1034774797 /nfs/dbraw/zinc/77/47/97/1034774797.db2.gz VTNLFYDSUIQQMW-XPNTWCBSSA-N 1 0 382.552 3.839 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001231618551 1034775461 /nfs/dbraw/zinc/77/54/61/1034775461.db2.gz JAVPXRXSPKWAPY-JOCHJYFZSA-N 1 0 395.528 3.757 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)CC1 ZINC001208176967 1034775703 /nfs/dbraw/zinc/77/57/03/1034775703.db2.gz LMYOGQMEBDZBSJ-SVFBPWRDSA-N 1 0 386.561 3.784 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3ccc(C#N)cc3OC)C1)C2 ZINC001231619432 1034777317 /nfs/dbraw/zinc/77/73/17/1034777317.db2.gz AREWGABHCUCPLA-HYBUGGRVSA-N 1 0 390.483 3.662 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)c1 ZINC001231622623 1034780603 /nfs/dbraw/zinc/78/06/03/1034780603.db2.gz BHTYCYZXKSVZBA-XPWALMASSA-N 1 0 398.547 3.537 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)c1 ZINC001231622959 1034782642 /nfs/dbraw/zinc/78/26/42/1034782642.db2.gz NZNLVHCAEPQGPT-UHFFFAOYSA-N 1 0 380.536 3.616 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1 ZINC001231655957 1034812911 /nfs/dbraw/zinc/81/29/11/1034812911.db2.gz WOKRMHGREZLXHR-DEOSSOPVSA-N 1 0 389.543 3.566 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001231663193 1034817980 /nfs/dbraw/zinc/81/79/80/1034817980.db2.gz LMPVXEFBCNHXRL-UHFFFAOYSA-N 1 0 383.495 3.964 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001160105128 1034862745 /nfs/dbraw/zinc/86/27/45/1034862745.db2.gz YAQBMDJDEUVJBN-AATRIKPKSA-N 1 0 392.343 3.809 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cc(F)cc(C#N)c2)CCOCC1)c1ccccc1 ZINC001208345916 1034865680 /nfs/dbraw/zinc/86/56/80/1034865680.db2.gz FUIJNRAHWIZBPO-MRXNPFEDSA-N 1 0 396.466 3.719 20 30 GHEDRO COc1ccc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c(C)c1 ZINC001231821382 1034929216 /nfs/dbraw/zinc/92/92/16/1034929216.db2.gz CLBKDIDWEOLRCX-UHFFFAOYSA-N 1 0 378.520 3.676 20 30 GHEDRO C=CCN1CC[C@]2(CCCN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC001208586594 1034943711 /nfs/dbraw/zinc/94/37/11/1034943711.db2.gz WQGKLZFXABPXJU-UPVQGACJSA-N 1 0 381.564 3.542 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H]1CCCCN1Cc1ccccc1)C2 ZINC001208589047 1034946222 /nfs/dbraw/zinc/94/62/22/1034946222.db2.gz QBSPXNYVDWVGIO-SGNDLWITSA-N 1 0 384.564 3.867 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001160566463 1035003891 /nfs/dbraw/zinc/00/38/91/1035003891.db2.gz QPYKEWDEOCRGHU-ZEQRLZLVSA-N 1 0 387.527 3.733 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)c(Br)cc1C ZINC001276582703 1035008611 /nfs/dbraw/zinc/00/86/11/1035008611.db2.gz OWOUATWJYRKJOV-QZTJIDSGSA-N 1 0 377.326 3.817 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCCc3cccc(Br)c3)C2)C1=O ZINC001208822661 1035041741 /nfs/dbraw/zinc/04/17/41/1035041741.db2.gz OYEGCIAJIDADRS-HXUWFJFHSA-N 1 0 391.353 3.882 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC001208849277 1035056608 /nfs/dbraw/zinc/05/66/08/1035056608.db2.gz CQMUOVSDBOKYES-RPBOFIJWSA-N 1 0 389.543 3.509 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)c1 ZINC001208851387 1035058520 /nfs/dbraw/zinc/05/85/20/1035058520.db2.gz FNYDIKWVATVTMK-UHFFFAOYSA-N 1 0 377.488 3.855 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)cc1 ZINC001208862169 1035064958 /nfs/dbraw/zinc/06/49/58/1035064958.db2.gz UTKQBXZESDNGNI-XMMPIXPASA-N 1 0 388.515 3.543 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](CCCc1ccc(C(=O)OCC)cc1)CCC2 ZINC001208865799 1035067025 /nfs/dbraw/zinc/06/70/25/1035067025.db2.gz GDRDWCIVUWPFMJ-UHFFFAOYSA-N 1 0 397.519 3.601 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)s1 ZINC001276596556 1035075559 /nfs/dbraw/zinc/07/55/59/1035075559.db2.gz WKCZJIJOJNCPQS-KRWDZBQOSA-N 1 0 385.455 3.890 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)cc1 ZINC001208927317 1035093251 /nfs/dbraw/zinc/09/32/51/1035093251.db2.gz XINUDFJHELYZKN-JOCHJYFZSA-N 1 0 391.515 3.693 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1Cl ZINC001232119561 1035106768 /nfs/dbraw/zinc/10/67/68/1035106768.db2.gz GJJVWUUCXXFMJU-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1Cl ZINC001232120351 1035107857 /nfs/dbraw/zinc/10/78/57/1035107857.db2.gz RXAVYRBZVOOMPO-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO CC[C@H](C)[C@@H]([NH2+]C)C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001160994513 1035114324 /nfs/dbraw/zinc/11/43/24/1035114324.db2.gz YJXJNLMOGPPJCH-WWPVKYPJSA-N 1 0 389.543 3.979 20 30 GHEDRO CN(CCC[NH+]1CCC(C#N)(c2ccccc2F)CC1)C(=O)OC(C)(C)C ZINC001209141519 1035191503 /nfs/dbraw/zinc/19/15/03/1035191503.db2.gz SUQURCKMXREZBB-UHFFFAOYSA-N 1 0 375.488 3.940 20 30 GHEDRO C=CCN(C(=O)[C@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC001161248454 1035191890 /nfs/dbraw/zinc/19/18/90/1035191890.db2.gz ZSUBBVNUGYIIRM-GCJKJVERSA-N 1 0 381.520 3.854 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCc4cccs4)C3)C2)c1 ZINC001209225349 1035211748 /nfs/dbraw/zinc/21/17/48/1035211748.db2.gz PAGVXPOJYVGDQF-QFIPXVFZSA-N 1 0 381.545 3.781 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161429813 1035228709 /nfs/dbraw/zinc/22/87/09/1035228709.db2.gz YTNFEBPQFMSIHE-UHFFFAOYSA-N 1 0 386.499 3.671 20 30 GHEDRO CC(C)Oc1ccc(C(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)cc1C#N ZINC001161432509 1035230033 /nfs/dbraw/zinc/23/00/33/1035230033.db2.gz NRASLZKEYYRGAO-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCOc4ccccc4)C3)C2)c1 ZINC001209302220 1035236157 /nfs/dbraw/zinc/23/61/57/1035236157.db2.gz IHOQKNHVDZDNEX-DEOSSOPVSA-N 1 0 391.515 3.556 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCOc2ccc(Br)cc2C1 ZINC001161499496 1035242813 /nfs/dbraw/zinc/24/28/13/1035242813.db2.gz KCVHTRKLBZLZDR-INIZCTEOSA-N 1 0 381.314 3.634 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H](CC#N)C(F)(F)F)C1 ZINC001209329994 1035243548 /nfs/dbraw/zinc/24/35/48/1035243548.db2.gz MWMTYYMTIRDJPN-RHSMWYFYSA-N 1 0 382.430 3.562 20 30 GHEDRO C#CC[C@H]([NH3+])C(=O)N([C@H](C)c1ccccc1)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001161604039 1035271072 /nfs/dbraw/zinc/27/10/72/1035271072.db2.gz LLWJBNHQPFNHCG-HGSOSGBHSA-N 1 0 376.500 3.675 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC001161848373 1035314285 /nfs/dbraw/zinc/31/42/85/1035314285.db2.gz BUCUYOTXYDDYNA-OAQYLSRUSA-N 1 0 379.504 3.743 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3nn(C)c4ccccc34)CC2)C1 ZINC001209577788 1035316045 /nfs/dbraw/zinc/31/60/45/1035316045.db2.gz VTVJZDWMBNWRIP-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO Cc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)c(Br)c1 ZINC001248155277 1035581340 /nfs/dbraw/zinc/58/13/40/1035581340.db2.gz KWYBVPBTCLVSSO-OAHLLOKOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cc(F)cc(C(F)(F)F)c3)no2)cc1 ZINC001248157442 1035584417 /nfs/dbraw/zinc/58/44/17/1035584417.db2.gz PQNGXWQIBRVMPS-INIZCTEOSA-N 1 0 390.340 3.879 20 30 GHEDRO Cc1ccc(Br)cc1-c1noc(C[C@@H]([NH3+])Cc2ccc(C#N)cc2)n1 ZINC001248157597 1035584473 /nfs/dbraw/zinc/58/44/73/1035584473.db2.gz SLGOPUSTIKGPHF-INIZCTEOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cccc3nccc(Cl)c32)no1 ZINC001248180574 1035609477 /nfs/dbraw/zinc/60/94/77/1035609477.db2.gz HPWRTZWTXFIXKI-HNNXBMFYSA-N 1 0 389.846 3.922 20 30 GHEDRO C/C(=N\C#N)N(C)Cc1ccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)nc1 ZINC001241758030 1035677866 /nfs/dbraw/zinc/67/78/66/1035677866.db2.gz LLILQPNYZJIRNS-LGUFXXKBSA-N 1 0 391.519 3.945 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(-c2nc(-c3cccs3)ccc2C#N)cc1 ZINC001241768541 1035689060 /nfs/dbraw/zinc/68/90/60/1035689060.db2.gz XQTWGRHGUBHZPF-UHFFFAOYSA-N 1 0 376.485 3.640 20 30 GHEDRO N#Cc1cc(-c2ccc3c(cnn3[C@@H]3CCCCO3)c2)ccc1N1CC[NH2+]CC1 ZINC001242448288 1035908891 /nfs/dbraw/zinc/90/88/91/1035908891.db2.gz RKIRRCAIMDSPMJ-QHCPKHFHSA-N 1 0 387.487 3.684 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H](CC(=O)N3CCCC3)CO2)CC1 ZINC001248750451 1036108031 /nfs/dbraw/zinc/10/80/31/1036108031.db2.gz KGOVYBCWFLRDFY-FQEVSTJZSA-N 1 0 395.547 3.504 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC[C@H](C(=O)N3CCCC3)OC2)CC1 ZINC001248750892 1036108048 /nfs/dbraw/zinc/10/80/48/1036108048.db2.gz APFUVARHFVBKSM-JOCHJYFZSA-N 1 0 395.547 3.504 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001462110828 1070000052 /nfs/dbraw/zinc/00/00/52/1070000052.db2.gz DZAANLUXZYSEIK-HXUWFJFHSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC001245938845 1037067169 /nfs/dbraw/zinc/06/71/69/1037067169.db2.gz ZEUVCMFYQQRSQD-HLAWJBBLSA-N 1 0 376.529 3.755 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245956509 1037080485 /nfs/dbraw/zinc/08/04/85/1037080485.db2.gz MLKYPKOHALSVLS-PKOBYXMFSA-N 1 0 381.476 3.769 20 30 GHEDRO CCCCCCCC(=O)c1ccc(NC[C@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001245977250 1037102025 /nfs/dbraw/zinc/10/20/25/1037102025.db2.gz WLQUXEKPLTVLTM-HXUWFJFHSA-N 1 0 376.541 3.507 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246029234 1037147246 /nfs/dbraw/zinc/14/72/46/1037147246.db2.gz VWIIGSVCUVFRKK-RJGXRXQPSA-N 1 0 398.632 3.738 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001278435780 1037236334 /nfs/dbraw/zinc/23/63/34/1037236334.db2.gz YLHUDBCWJIAKIT-HXUWFJFHSA-N 1 0 380.964 3.821 20 30 GHEDRO N#Cc1ccc(-c2nc3cc(F)ccc3n2CC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001247033554 1037853893 /nfs/dbraw/zinc/85/38/93/1037853893.db2.gz KOBPEVDIHHBXTL-UHFFFAOYSA-N 1 0 379.395 3.622 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)c(OC)cc3O)C2)C1 ZINC001232265952 1037988737 /nfs/dbraw/zinc/98/87/37/1037988737.db2.gz HOAJADMKZSFNNG-HXUWFJFHSA-N 1 0 394.899 3.665 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1OC(C)C)C2 ZINC001232392907 1038176850 /nfs/dbraw/zinc/17/68/50/1038176850.db2.gz QQZZQQFVPASSPZ-RBBKRZOGSA-N 1 0 375.509 3.809 20 30 GHEDRO N#Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4cc(Cl)cs4)C3)C2=O)c1 ZINC001277674094 1038276671 /nfs/dbraw/zinc/27/66/71/1038276671.db2.gz PWUKOHYGWVHPBI-FQEVSTJZSA-N 1 0 385.920 3.898 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(Br)c(CC)s3)C2)C1=O ZINC001277681964 1038331985 /nfs/dbraw/zinc/33/19/85/1038331985.db2.gz XKEYXANHFQERBB-KRWDZBQOSA-N 1 0 383.355 3.683 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1F ZINC001462263130 1070129673 /nfs/dbraw/zinc/12/96/73/1070129673.db2.gz YZBKZGCZMOVYPR-INIZCTEOSA-N 1 0 382.389 3.944 20 30 GHEDRO C=CCCCNC(=S)Nc1cccc(C[NH+]2CCC(C(=O)OCC)CC2)c1 ZINC001247759577 1038366374 /nfs/dbraw/zinc/36/63/74/1038366374.db2.gz COPFFHOYMCINLH-UHFFFAOYSA-N 1 0 389.565 3.714 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@@H]21 ZINC001232607250 1038389336 /nfs/dbraw/zinc/38/93/36/1038389336.db2.gz JLUFMOMJOAGWNW-ACRUOGEOSA-N 1 0 394.906 3.753 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3CC4(CO3)CC[NH2+]CC4)n2)cc1Cl ZINC001247860690 1038431527 /nfs/dbraw/zinc/43/15/27/1038431527.db2.gz MGSQTSMGSYWQCU-AWEZNQCLSA-N 1 0 379.247 3.746 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc([C@H]3CC4(CC[NH2+]CC4)c4ccccc4O3)n2)c1 ZINC001247895213 1038466317 /nfs/dbraw/zinc/46/63/17/1038466317.db2.gz VJPRELLWSAPNMU-LJQANCHMSA-N 1 0 390.418 3.892 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001232820096 1038574437 /nfs/dbraw/zinc/57/44/37/1038574437.db2.gz HKYXOEFCNSEDJG-ICSRJNTNSA-N 1 0 375.900 3.790 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)s1 ZINC001232843079 1038593564 /nfs/dbraw/zinc/59/35/64/1038593564.db2.gz IFOLHQSWQKRLLA-LEWJYISDSA-N 1 0 383.517 3.603 20 30 GHEDRO N#Cc1ccc(F)cc1CN1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC001232890324 1038675237 /nfs/dbraw/zinc/67/52/37/1038675237.db2.gz DIPBYLYKIQCNTR-QRTHJKPMSA-N 1 0 397.519 3.576 20 30 GHEDRO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cc(F)ccc1C#N)CC2 ZINC001232891116 1038679807 /nfs/dbraw/zinc/67/98/07/1038679807.db2.gz GKNLBOUKJZYHAM-HXUWFJFHSA-N 1 0 383.467 3.546 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)c(C#N)c2)C[C@H]1c1ccccc1 ZINC001232896834 1038691832 /nfs/dbraw/zinc/69/18/32/1038691832.db2.gz IAXBNNAWMACMBZ-ZWKOTPCHSA-N 1 0 399.288 3.709 20 30 GHEDRO N#Cc1cc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)ccc1Br ZINC001232897435 1038694039 /nfs/dbraw/zinc/69/40/39/1038694039.db2.gz NEZSTESLESZSSP-HDICACEKSA-N 1 0 382.305 3.889 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC001232923237 1038712407 /nfs/dbraw/zinc/71/24/07/1038712407.db2.gz SLPCBWDPIMZLRE-ROUUACIJSA-N 1 0 384.524 3.812 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C)cc3C#N)O2)cs1 ZINC001232965612 1038740106 /nfs/dbraw/zinc/74/01/06/1038740106.db2.gz BYMHHFVICYWCTH-YPAWHYETSA-N 1 0 397.544 3.970 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc([O-])c(F)c(F)c3)C2)CC1 ZINC001232969296 1038742623 /nfs/dbraw/zinc/74/26/23/1038742623.db2.gz NZZNEVWDSWSEQP-UHFFFAOYSA-N 1 0 380.435 3.671 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001252126215 1038875532 /nfs/dbraw/zinc/87/55/32/1038875532.db2.gz NKJRXTDQYNVKEJ-VXSCBNMQSA-N 1 0 394.600 3.636 20 30 GHEDRO CN(C)c1ccc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1C#N ZINC001233099148 1038878222 /nfs/dbraw/zinc/87/82/22/1038878222.db2.gz PVHWMWAZVHAFAI-UHFFFAOYSA-N 1 0 390.503 3.595 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(N(C)C)c(C#N)c1F)C2 ZINC001233103149 1038887337 /nfs/dbraw/zinc/88/73/37/1038887337.db2.gz YFBSENJAWKTRRB-MRXNPFEDSA-N 1 0 383.467 3.552 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001252135950 1038887208 /nfs/dbraw/zinc/88/72/08/1038887208.db2.gz JSTCPOLMTSOZQG-NXEWRWPSSA-N 1 0 398.588 3.854 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001252139138 1038889671 /nfs/dbraw/zinc/88/96/71/1038889671.db2.gz JSTCPOLMTSOZQG-YRPNKDGESA-N 1 0 398.588 3.854 20 30 GHEDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340796 1038947257 /nfs/dbraw/zinc/94/72/57/1038947257.db2.gz VGFXWGMVOQPOSL-JCGVRSQUSA-N 1 0 385.430 3.681 20 30 GHEDRO C[C@](O)(C[NH2+][C@@H]1CC12CCCCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252343650 1038948496 /nfs/dbraw/zinc/94/84/96/1038948496.db2.gz VUANXXMPXZVZBZ-AEFFLSMTSA-N 1 0 395.425 3.579 20 30 GHEDRO C=CCOC[C@H](O)C[N@H+](C1CCCC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252472135 1038999778 /nfs/dbraw/zinc/99/97/78/1038999778.db2.gz OIVYTKNKHLGGSI-MISYRCLQSA-N 1 0 396.572 3.630 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233388224 1039212193 /nfs/dbraw/zinc/21/21/93/1039212193.db2.gz QRYLETRBDRAENT-FQEVSTJZSA-N 1 0 393.487 3.715 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@@H]2C1 ZINC001252986658 1039314190 /nfs/dbraw/zinc/31/41/90/1039314190.db2.gz WHFJKQZJLJDYDE-LNRXMEIDSA-N 1 0 396.616 3.693 20 30 GHEDRO CCOC(=O)c1cn2cccc(C[NH+]3CCC(c4cccc(C#N)c4)CC3)c2n1 ZINC001233459128 1039349112 /nfs/dbraw/zinc/34/91/12/1039349112.db2.gz WLTNHOWPGFDVBV-UHFFFAOYSA-N 1 0 388.471 3.762 20 30 GHEDRO C=CCCCC[N@@H+](C)Cc1cccc(C(=O)NCCNC(=O)OC(C)(C)C)c1 ZINC001233478251 1039370402 /nfs/dbraw/zinc/37/04/02/1039370402.db2.gz UBBNEZDURZBQIE-UHFFFAOYSA-N 1 0 389.540 3.729 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001253236509 1039491564 /nfs/dbraw/zinc/49/15/64/1039491564.db2.gz DPRLDMWEVDMFSG-MYGLTJDJSA-N 1 0 388.552 3.827 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC001253236795 1039493261 /nfs/dbraw/zinc/49/32/61/1039493261.db2.gz TZLQZVBRGHDBIL-FPOVZHCZSA-N 1 0 375.557 3.646 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(c2nc(C(=O)OCC)co2)CC1 ZINC001253243205 1039500062 /nfs/dbraw/zinc/50/00/62/1039500062.db2.gz SOLOMZNHVXRFBO-GOSISDBHSA-N 1 0 378.513 3.918 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001253255960 1039505513 /nfs/dbraw/zinc/50/55/13/1039505513.db2.gz PRJPXRRGEQWZMZ-OAQYLSRUSA-N 1 0 383.536 3.640 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(OC2CC[NH+](C)CC2)c1 ZINC001233705597 1039554771 /nfs/dbraw/zinc/55/47/71/1039554771.db2.gz ZEINWYTWHWFWMJ-UHFFFAOYSA-N 1 0 379.456 3.872 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cc1 ZINC001233743216 1039583275 /nfs/dbraw/zinc/58/32/75/1039583275.db2.gz WJXLAUZBYIZAEA-CZAAIQMYSA-N 1 0 381.907 3.834 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]C2(c3ccc(C#N)cc3)CC2)cc1 ZINC001253436264 1039637487 /nfs/dbraw/zinc/63/74/87/1039637487.db2.gz OTYYDCKNSCZJBP-OAQYLSRUSA-N 1 0 392.499 3.652 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1ccc(F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253588616 1039710375 /nfs/dbraw/zinc/71/03/75/1039710375.db2.gz YMMBCBZZHUADKW-QGZVFWFLSA-N 1 0 396.478 3.713 20 30 GHEDRO C=C[C@H](O)C[NH2+]CC1(Cc2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253607424 1039720701 /nfs/dbraw/zinc/72/07/01/1039720701.db2.gz WXWLYLIMACAWOP-IBGZPJMESA-N 1 0 392.515 3.522 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC1CC(=O)C1 ZINC001253613524 1039721106 /nfs/dbraw/zinc/72/11/06/1039721106.db2.gz BQOBMJUYGFRFEE-QFIPXVFZSA-N 1 0 385.589 3.870 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1CC[C@H](O)C1 ZINC001253614001 1039723182 /nfs/dbraw/zinc/72/31/82/1039723182.db2.gz GVTYYORQSBGGDU-FKBYEOEOSA-N 1 0 387.605 3.804 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1F ZINC001253616793 1039728281 /nfs/dbraw/zinc/72/82/81/1039728281.db2.gz IMSZUPFTXPGFTE-PCCBWWKXSA-N 1 0 391.568 3.628 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1COC[C@@H]1F ZINC001253616791 1039729084 /nfs/dbraw/zinc/72/90/84/1039729084.db2.gz IMSZUPFTXPGFTE-HKBOAZHASA-N 1 0 391.568 3.628 20 30 GHEDRO CCO[C@@H](CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C[NH+](C)C ZINC001233981091 1039742086 /nfs/dbraw/zinc/74/20/86/1039742086.db2.gz CAWPOYFEWVBIHG-VGSWGCGISA-N 1 0 394.519 3.552 20 30 GHEDRO Cc1cc(Br)cc(C#N)c1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001234009873 1039759995 /nfs/dbraw/zinc/75/99/95/1039759995.db2.gz IOYRFDWYDDVKRP-MRXNPFEDSA-N 1 0 379.298 3.651 20 30 GHEDRO C#C[C@@H](C)Oc1cc2c(cc1OC)CC[N@+]1(C)Cc3cc(OC)c(O)cc3C[C@@H]21 ZINC001234128573 1039870146 /nfs/dbraw/zinc/87/01/46/1039870146.db2.gz CQYMFDUDMSPTNZ-LYWOYCCESA-O 1 0 394.491 3.610 20 30 GHEDRO CCCCCCCCC[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914764 1039897720 /nfs/dbraw/zinc/89/77/20/1039897720.db2.gz GVPDYTVCQLLBAP-WOJBJXKFSA-N 1 0 380.483 3.847 20 30 GHEDRO C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1c(F)cc(C[NH+](C)C)cc1OC ZINC001234237388 1039933411 /nfs/dbraw/zinc/93/34/11/1039933411.db2.gz CUNUPIXQZHGSNN-GOSISDBHSA-N 1 0 394.487 3.840 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001254182618 1040031394 /nfs/dbraw/zinc/03/13/94/1040031394.db2.gz YNLJSSJXJQQRAD-UHFFFAOYSA-N 1 0 384.545 3.836 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c(O)ccc3ccc(OC)cc31)CC2 ZINC001234518081 1040094906 /nfs/dbraw/zinc/09/49/06/1040094906.db2.gz CHOUOQULAWSIBW-UHFFFAOYSA-N 1 0 396.487 3.774 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC(=O)NCc2ccc(F)cc2)CC1 ZINC001254351131 1040184423 /nfs/dbraw/zinc/18/44/23/1040184423.db2.gz SMEQRPPMFGAIJD-UHFFFAOYSA-N 1 0 383.442 3.575 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001254351695 1040184570 /nfs/dbraw/zinc/18/45/70/1040184570.db2.gz QFSQKAFPNWSDLQ-UHFFFAOYSA-N 1 0 375.451 3.900 20 30 GHEDRO CC(C)NC(=O)N[C@H]1CCC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254359648 1040191254 /nfs/dbraw/zinc/19/12/54/1040191254.db2.gz MZMRIHBSQWAGBO-YMISUZCDSA-N 1 0 386.515 3.702 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+]([C@@H](CCC)CCc3ccccc3)CC2)C1=O ZINC001254494488 1040282032 /nfs/dbraw/zinc/28/20/32/1040282032.db2.gz NYHCKLWXBZAFRC-QFIPXVFZSA-N 1 0 383.580 3.583 20 30 GHEDRO CC[N@@H+]1CCC[C@H](Oc2cc(O)cc(OC)c2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001234775942 1040304625 /nfs/dbraw/zinc/30/46/25/1040304625.db2.gz BXAYBQVCIGATEJ-BLRBJFNZSA-N 1 0 397.471 3.866 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 ZINC001254639643 1040414209 /nfs/dbraw/zinc/41/42/09/1040414209.db2.gz WSSIJZOKKWHNIT-PKTZIBPZSA-N 1 0 375.516 3.740 20 30 GHEDRO C#CC1([NH2+]C2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CCCCC1 ZINC001254720346 1040477889 /nfs/dbraw/zinc/47/78/89/1040477889.db2.gz KMIDXGRFXUPCQZ-UHFFFAOYSA-N 1 0 376.541 3.861 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([N@@H+]3CCC[C@@H](C#N)CC3)CC2)C1 ZINC001254726988 1040485298 /nfs/dbraw/zinc/48/52/98/1040485298.db2.gz NVAFFUKTSKSCOR-MPQSDHOMSA-N 1 0 377.529 3.561 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CC[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001235007714 1040499204 /nfs/dbraw/zinc/49/92/04/1040499204.db2.gz XRETXICFLWRKDY-MGPUTAFESA-N 1 0 398.304 3.907 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C(F)(F)F)nc1Cl ZINC001277927669 1040642641 /nfs/dbraw/zinc/64/26/41/1040642641.db2.gz LCEJLUNUQNTVSU-QGZVFWFLSA-N 1 0 387.833 3.897 20 30 GHEDRO C=C[C@H](COC)[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC001255018750 1040732220 /nfs/dbraw/zinc/73/22/20/1040732220.db2.gz KUTFXMWAJCPBAJ-LLVKDONJSA-N 1 0 393.119 3.901 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCN(Cc3ccccc3)C1)[C@H]2CC ZINC001255112470 1040796860 /nfs/dbraw/zinc/79/68/60/1040796860.db2.gz NPWFPHDUQXAZDZ-FIXSFTCYSA-N 1 0 381.564 3.683 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1Cl ZINC001235371368 1040877621 /nfs/dbraw/zinc/87/76/21/1040877621.db2.gz QJXYCSGTWKNTHK-MGPUTAFESA-N 1 0 386.952 3.609 20 30 GHEDRO Cn1cc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c2cc(C#N)ccc21 ZINC001235379993 1040901288 /nfs/dbraw/zinc/90/12/88/1040901288.db2.gz IOQYLDFATNHETF-WIOPSUGQSA-N 1 0 384.527 3.803 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC001235475719 1040953075 /nfs/dbraw/zinc/95/30/75/1040953075.db2.gz MZPOINKKKWJRPH-FCHUYYIVSA-N 1 0 375.516 3.961 20 30 GHEDRO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235513156 1040969183 /nfs/dbraw/zinc/96/91/83/1040969183.db2.gz GDHHWIDLBCQDEV-UHFFFAOYSA-N 1 0 383.499 3.874 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001235512742 1040969640 /nfs/dbraw/zinc/96/96/40/1040969640.db2.gz CVKYLKZDLNLKKT-JOCHJYFZSA-N 1 0 391.515 3.845 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255405816 1040993270 /nfs/dbraw/zinc/99/32/70/1040993270.db2.gz YNZGQXWVRWEQLX-GMAHTHKFSA-N 1 0 394.563 3.577 20 30 GHEDRO Cc1ccnc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1Cl ZINC001235578399 1040995544 /nfs/dbraw/zinc/99/55/44/1040995544.db2.gz AOJFEVVHLVENNO-OAQYLSRUSA-N 1 0 380.879 3.544 20 30 GHEDRO C=CCCc1ccc(-c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)c(=O)[nH]1 ZINC001255468138 1041069216 /nfs/dbraw/zinc/06/92/16/1041069216.db2.gz DFRAKPYEKIGKTA-QGZVFWFLSA-N 1 0 376.460 3.945 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)c(OCC)c3)C2)C1 ZINC001235793378 1041289598 /nfs/dbraw/zinc/28/95/98/1041289598.db2.gz HBEUZURDPZSMTJ-NRFANRHFSA-N 1 0 376.472 3.835 20 30 GHEDRO N#Cc1cc(CN2CC[NH2+][C@H](c3cccc(Br)c3)C2)c(F)cc1F ZINC001235795011 1041292781 /nfs/dbraw/zinc/29/27/81/1041292781.db2.gz HYALUDHWGYJVLQ-SFHVURJKSA-N 1 0 392.247 3.745 20 30 GHEDRO N#Cc1ccc2c(CN3CC[NH2+][C@H](c4cccc(Br)c4)C3)c[nH]c2c1 ZINC001235801084 1041308942 /nfs/dbraw/zinc/30/89/42/1041308942.db2.gz RPZGBACXEZXAMR-FQEVSTJZSA-N 1 0 395.304 3.949 20 30 GHEDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(Br)c(C#N)c3)C2)C1=O ZINC001277973646 1041312567 /nfs/dbraw/zinc/31/25/67/1041312567.db2.gz HDYZVIVENDAOBR-LJQANCHMSA-N 1 0 390.325 3.545 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001255900021 1041383291 /nfs/dbraw/zinc/38/32/91/1041383291.db2.gz VIHVWIVEYDYDAM-HXUWFJFHSA-N 1 0 398.551 3.534 20 30 GHEDRO COC(OC)c1c(/C=N/O)ccnc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236245977 1041642387 /nfs/dbraw/zinc/64/23/87/1041642387.db2.gz XHDNNNOQTNYDKQ-ZMOGYAJESA-N 1 0 387.455 3.973 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4C[NH2+][C@H]4C3)c2)cc1 ZINC001236290108 1041660894 /nfs/dbraw/zinc/66/08/94/1041660894.db2.gz SZPZFRSSLCMSPQ-BEFAXECRSA-N 1 0 384.277 3.517 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)Cc4ccsc4)C3)CC2)s1 ZINC001278923435 1041676596 /nfs/dbraw/zinc/67/65/96/1041676596.db2.gz DPUFWAVJFXTOQC-UHFFFAOYSA-N 1 0 385.558 3.738 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccsc4)CC[C@@H]3C2)s1 ZINC001278926128 1041687523 /nfs/dbraw/zinc/68/75/23/1041687523.db2.gz ZLASZCUJFYHRSJ-CALCHBBNSA-N 1 0 385.558 3.594 20 30 GHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccc(C[NH2+]CC(C)C)cc1 ZINC001236428277 1041707735 /nfs/dbraw/zinc/70/77/35/1041707735.db2.gz OKNSNZXOQJGKOO-SFHVURJKSA-N 1 0 388.471 3.823 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C2 ZINC001256479082 1041752883 /nfs/dbraw/zinc/75/28/83/1041752883.db2.gz SZLOAAPVYYYXPM-MDPIYQRISA-N 1 0 394.556 3.601 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)c(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236864221 1041933750 /nfs/dbraw/zinc/93/37/50/1041933750.db2.gz ROVPHMMVQYKZBV-HNNXBMFYSA-N 1 0 394.313 3.762 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3c(O)ccc(F)c3Cl)CC2)C1=O ZINC001278023092 1041940672 /nfs/dbraw/zinc/94/06/72/1041940672.db2.gz KETGJFUDJSFXAU-HXUWFJFHSA-N 1 0 380.891 3.965 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccc(-n3cccn3)c(Cl)c1)CCC2 ZINC001236895967 1041943921 /nfs/dbraw/zinc/94/39/21/1041943921.db2.gz CVMXDZGZDUWEIN-UHFFFAOYSA-N 1 0 397.910 3.831 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)c(N4CCOCC4)c3)C2)c1 ZINC001236960939 1041970412 /nfs/dbraw/zinc/97/04/12/1041970412.db2.gz LTTCYJFDBBMNTL-OAQYLSRUSA-N 1 0 395.478 3.577 20 30 GHEDRO N#Cc1cc(CN2CCC(CC3CC[NH2+]CC3)CC2)ccc1Br ZINC001236961777 1041970625 /nfs/dbraw/zinc/97/06/25/1041970625.db2.gz GXHGWQCYEVIKMV-UHFFFAOYSA-N 1 0 376.342 3.922 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3ccsc3Cl)C2)C1=O ZINC001278068765 1042092368 /nfs/dbraw/zinc/09/23/68/1042092368.db2.gz LZTQJMZUTZGLHP-NQIIRXRSSA-N 1 0 384.932 3.853 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c(Cl)[nH]c3cnccc31)C2 ZINC001237456138 1042215396 /nfs/dbraw/zinc/21/53/96/1042215396.db2.gz ZFFMBLNKRZEOJP-ICSRJNTNSA-N 1 0 375.900 3.790 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)ccn1 ZINC001237464041 1042218773 /nfs/dbraw/zinc/21/87/73/1042218773.db2.gz OBQSGMQPGXEMJI-UHFFFAOYSA-N 1 0 378.520 3.514 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)c4ccccc4[nH]c3=O)C2)C1=O ZINC001237499651 1042237747 /nfs/dbraw/zinc/23/77/47/1042237747.db2.gz ZSAKFQQMUXBGFG-OAQYLSRUSA-N 1 0 385.895 3.594 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(C)c(F)cc2Br)C1 ZINC001237512984 1042244630 /nfs/dbraw/zinc/24/46/30/1042244630.db2.gz UHZUFPVRUONWKO-CQSZACIVSA-N 1 0 385.277 3.773 20 30 GHEDRO N#Cc1cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)cc1F ZINC001237527869 1042252117 /nfs/dbraw/zinc/25/21/17/1042252117.db2.gz YWYRFHGTMZRUSF-UHFFFAOYSA-N 1 0 382.458 3.720 20 30 GHEDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1O ZINC001237687753 1042327803 /nfs/dbraw/zinc/32/78/03/1042327803.db2.gz UHRGFKKUKKJJHQ-QFIPXVFZSA-N 1 0 395.890 3.855 20 30 GHEDRO N#Cc1cc(Cl)cc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001237751213 1042353466 /nfs/dbraw/zinc/35/34/66/1042353466.db2.gz SMEMYQWRXOGVPP-PZJWPPBQSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 ZINC001237752928 1042354484 /nfs/dbraw/zinc/35/44/84/1042354484.db2.gz AYGZSLYJHLYPLO-NRFANRHFSA-N 1 0 383.854 3.980 20 30 GHEDRO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237756260 1042355622 /nfs/dbraw/zinc/35/56/22/1042355622.db2.gz ZDANIRKLAKRSJT-JOCHJYFZSA-N 1 0 383.923 3.935 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CCNc3ccc(C#N)cn3)CC[C@@H]21 ZINC001462615930 1070414836 /nfs/dbraw/zinc/41/48/36/1070414836.db2.gz UQXCOIZOALKUMJ-QRVBRYPASA-N 1 0 399.539 3.523 20 30 GHEDRO CCOC(=O)COc1cccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001237915455 1042421070 /nfs/dbraw/zinc/42/10/70/1042421070.db2.gz MURYVMIEXHEWSP-UHFFFAOYSA-N 1 0 378.472 3.686 20 30 GHEDRO CCOC(=O)COc1cccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c1 ZINC001237920973 1042423195 /nfs/dbraw/zinc/42/31/95/1042423195.db2.gz ZIEYHAYRTZGRKO-UHFFFAOYSA-N 1 0 394.471 3.544 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(OC)ccc3C(F)(F)F)C2)C1=O ZINC001238051114 1042475005 /nfs/dbraw/zinc/47/50/05/1042475005.db2.gz IHDBFIXNQZXBIB-LJQANCHMSA-N 1 0 382.426 3.715 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)ccc1Cl ZINC001238191794 1042514963 /nfs/dbraw/zinc/51/49/63/1042514963.db2.gz WOHSLLMYGMZDAO-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO CCn1c2ccccc2nc1N1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238195706 1042515968 /nfs/dbraw/zinc/51/59/68/1042515968.db2.gz KHLJLTBXHPCMAK-UHFFFAOYSA-N 1 0 379.895 3.903 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(-c4cc[nH]n4)c3)C2)C1 ZINC001238197156 1042516827 /nfs/dbraw/zinc/51/68/27/1042516827.db2.gz LOLAMPGZSXIJOP-QFIPXVFZSA-N 1 0 380.492 3.687 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)C1 ZINC001238409407 1042587300 /nfs/dbraw/zinc/58/73/00/1042587300.db2.gz CHTNEKDWKPAHTE-UHFFFAOYSA-N 1 0 383.492 3.567 20 30 GHEDRO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)ccc1C#N ZINC001238417482 1042589423 /nfs/dbraw/zinc/58/94/23/1042589423.db2.gz UFDZNYGHMADKRW-UHFFFAOYSA-N 1 0 397.906 3.749 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(OC)ccc1-c1ccncc1)CC2 ZINC001238645968 1042667705 /nfs/dbraw/zinc/66/77/05/1042667705.db2.gz CBPJUWVGBYHUBX-UHFFFAOYSA-N 1 0 391.515 3.900 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)ccc1C#N ZINC001238764016 1042719654 /nfs/dbraw/zinc/71/96/54/1042719654.db2.gz YNBRPACSJHITTQ-DEOSSOPVSA-N 1 0 388.515 3.530 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N1CCC(OC2CC[NH2+]CC2)CC1 ZINC001239056438 1042762938 /nfs/dbraw/zinc/76/29/38/1042762938.db2.gz BLQGAAKZIYLCAH-UHFFFAOYSA-N 1 0 388.618 3.690 20 30 GHEDRO N#Cc1cc(NC(=O)Nc2ccc(Cl)cc2Cl)ccc1N1CC[NH2+]CC1 ZINC001239190298 1042783018 /nfs/dbraw/zinc/78/30/18/1042783018.db2.gz IZYZEGFIOYUZKN-UHFFFAOYSA-N 1 0 390.274 3.919 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@H]([NH3+])c2ccc(C(=O)OC)cc2)c1 ZINC001239258724 1042799403 /nfs/dbraw/zinc/79/94/03/1042799403.db2.gz WWEGVLSJVYKXBT-HXUWFJFHSA-N 1 0 395.503 3.741 20 30 GHEDRO FC(F)(F)c1cc(NC(=S)NC[C@@]2(F)CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001239363675 1042813747 /nfs/dbraw/zinc/81/37/47/1042813747.db2.gz RHPOAFLAZIAPMN-GFCCVEGCSA-N 1 0 389.340 3.712 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@@]3(CCCC[NH2+]3)C2)cc1C(F)(F)F ZINC001239420730 1042825423 /nfs/dbraw/zinc/82/54/23/1042825423.db2.gz ZITCGENBRNEVEN-KRWDZBQOSA-N 1 0 382.455 3.882 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2cnc(N3CC[NH2+]CC3)c(C)c2)n1 ZINC001239724768 1042847114 /nfs/dbraw/zinc/84/71/14/1042847114.db2.gz UVGIEHLYVGDDGU-UHFFFAOYSA-N 1 0 393.535 3.575 20 30 GHEDRO N#Cc1cc(-c2ncnc3c2ccn3Cc2ccc(F)cc2)cc(C2C[NH2+]C2)c1 ZINC001240338226 1042922363 /nfs/dbraw/zinc/92/23/63/1042922363.db2.gz PFIUMFJIRJHXFQ-UHFFFAOYSA-N 1 0 383.430 3.844 20 30 GHEDRO COc1ccc2nc(C(F)(F)F)nc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c2c1 ZINC001240346805 1042922378 /nfs/dbraw/zinc/92/23/78/1042922378.db2.gz YMFOHSOVOUKVKM-UHFFFAOYSA-N 1 0 384.361 3.883 20 30 GHEDRO CCOC(=O)c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1OC(F)(F)F ZINC001240350653 1042922692 /nfs/dbraw/zinc/92/26/92/1042922692.db2.gz DEKGOECPVOTKPR-UHFFFAOYSA-N 1 0 390.361 3.987 20 30 GHEDRO CCOC(=O)c1cc(-c2ccc(C3([NH+]4CCN(C)CC4)CC3)cc2)ccc1C#N ZINC001240590355 1042944868 /nfs/dbraw/zinc/94/48/68/1042944868.db2.gz MCZGEZNHWLRTCX-UHFFFAOYSA-N 1 0 389.499 3.638 20 30 GHEDRO N#CC1(c2cccnc2-c2cnn(C3COC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001240774137 1042953664 /nfs/dbraw/zinc/95/36/64/1042953664.db2.gz AOAGSDAUCQHMGL-UHFFFAOYSA-N 1 0 399.498 3.574 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001291113961 1043085974 /nfs/dbraw/zinc/08/59/74/1043085974.db2.gz PIZJMXQWPSAZPC-LJQANCHMSA-N 1 0 392.551 3.929 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291844708 1043496685 /nfs/dbraw/zinc/49/66/85/1043496685.db2.gz ICRXLDZORAEKDZ-SVFBPWRDSA-N 1 0 394.567 3.900 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CCN(C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256568880 1043543273 /nfs/dbraw/zinc/54/32/73/1043543273.db2.gz JBZCMZOVUVXPEF-UHFFFAOYSA-N 1 0 377.573 3.750 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCN(Cc3ccccc3)CC1)C2 ZINC001256605423 1043569411 /nfs/dbraw/zinc/56/94/11/1043569411.db2.gz GKFUOQNLCDYSBX-XMMPIXPASA-N 1 0 381.564 3.684 20 30 GHEDRO C=C(C)C(=O)OCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC001256933966 1043759099 /nfs/dbraw/zinc/75/90/99/1043759099.db2.gz DYUGILJJFCTMDD-MOPGFXCFSA-N 1 0 388.508 3.836 20 30 GHEDRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC[NH2+]C2CCC(C#N)CC2)OC(C)(C)O1 ZINC001256953989 1043771468 /nfs/dbraw/zinc/77/14/68/1043771468.db2.gz UOFDMBPUMGIMJD-OPQOLIRYSA-N 1 0 380.529 3.690 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]C1CCC(C#N)CC1)CCO2 ZINC001256957865 1043773670 /nfs/dbraw/zinc/77/36/70/1043773670.db2.gz JNIGEHBNJLDVDR-ABHNRTSZSA-N 1 0 377.529 3.607 20 30 GHEDRO Cn1cnc2c1cc(C1CC[NH+](C3CCC(C#N)CC3)CC1)nc2N1CCCC1 ZINC001256966912 1043775279 /nfs/dbraw/zinc/77/52/79/1043775279.db2.gz QXKRDKGVXNUZDQ-UHFFFAOYSA-N 1 0 392.551 3.830 20 30 GHEDRO COc1ccc(CN2CC[C@]3(CCC[N@@H+](C4CCC(C#N)CC4)C3)C2=O)cc1 ZINC001256966688 1043775798 /nfs/dbraw/zinc/77/57/98/1043775798.db2.gz NAENHZOKEFHOAX-PXLSRWGNSA-N 1 0 381.520 3.592 20 30 GHEDRO CNC(=O)N[C@@H]1CC2(CC[NH+](C3CCC(C#N)CC3)CC2)c2cc(C)ccc21 ZINC001256968460 1043776609 /nfs/dbraw/zinc/77/66/09/1043776609.db2.gz UYCHWPLQHSKDRX-WIXQSORDSA-N 1 0 380.536 3.785 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]C3CCN(C(=O)N4CCCC4)CC3)CC2)cc1 ZINC001257011564 1043798667 /nfs/dbraw/zinc/79/86/67/1043798667.db2.gz SQNWPLWXZPBQSZ-UHFFFAOYSA-N 1 0 380.536 3.854 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016388 1043800235 /nfs/dbraw/zinc/80/02/35/1043800235.db2.gz BTNPKFQOSLYKQE-MAHYXTOZSA-N 1 0 399.535 3.544 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)s1 ZINC001292956372 1043963543 /nfs/dbraw/zinc/96/35/43/1043963543.db2.gz OYMLKFCDMQFIAZ-CQSZACIVSA-N 1 0 390.018 3.931 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H]3CO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H](C1)C2 ZINC001257886526 1044244506 /nfs/dbraw/zinc/24/45/06/1044244506.db2.gz IEZYEYUAUQEQEP-LXPXVPHISA-N 1 0 376.541 3.879 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C[C@H](C1)C2 ZINC001257886972 1044244799 /nfs/dbraw/zinc/24/47/99/1044244799.db2.gz RSGXOIAHJHQRHZ-GXELDAJHSA-N 1 0 376.541 3.735 20 30 GHEDRO C=C1C[C@@H]2CC(N(C3CC[NH2+]CC3)S(=O)(=O)c3ccccc3F)C[C@H](C1)C2 ZINC001257894367 1044249030 /nfs/dbraw/zinc/24/90/30/1044249030.db2.gz RCKIDUXDCUVPAW-JJTKIYQPSA-N 1 0 392.540 3.703 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)/C=C\c2ccc(F)cc2)[C@H]1c1cccs1 ZINC001293866072 1044353068 /nfs/dbraw/zinc/35/30/68/1044353068.db2.gz ZWWQDQKKNZPPBX-UIJCHRQJSA-N 1 0 386.492 3.669 20 30 GHEDRO CCCCCCC[C@H](C)[NH2+][C@@H](CO)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001258043223 1044367327 /nfs/dbraw/zinc/36/73/27/1044367327.db2.gz MPMJELRFIFOJSR-LPHOPBHVSA-N 1 0 388.508 3.739 20 30 GHEDRO CCCCCCC[C@H](C)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258045298 1044367423 /nfs/dbraw/zinc/36/74/23/1044367423.db2.gz YVYVQMZFTMGTEE-FPOVZHCZSA-N 1 0 391.604 3.576 20 30 GHEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001258228656 1044479108 /nfs/dbraw/zinc/47/91/08/1044479108.db2.gz JFLWCQXUVBJXCM-VQTJNVASSA-N 1 0 382.589 3.902 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)C(F)(F)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC001294243055 1044544852 /nfs/dbraw/zinc/54/48/52/1044544852.db2.gz BIOYOFUFWHZAQN-KRWDZBQOSA-N 1 0 377.822 3.723 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](C3CCN(c4cccc(F)c4)CC3)C2)CC1 ZINC001258418907 1044552538 /nfs/dbraw/zinc/55/25/38/1044552538.db2.gz KHEYYUWGBVFBDP-UHFFFAOYSA-N 1 0 387.499 3.515 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](C3CCN(c4ccccc4Cl)CC3)CC2)nc1 ZINC001258543860 1044619924 /nfs/dbraw/zinc/61/99/24/1044619924.db2.gz AHOSRHONHSDLKK-UHFFFAOYSA-N 1 0 395.938 3.788 20 30 GHEDRO C[C@H](Cc1cccnc1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001258625534 1044674973 /nfs/dbraw/zinc/67/49/73/1044674973.db2.gz DFAIJVANSIZAMA-YKSBVNFPSA-N 1 0 390.531 3.503 20 30 GHEDRO [NH2+]=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001258636670 1044680629 /nfs/dbraw/zinc/68/06/29/1044680629.db2.gz ZVNXMJKXDUIFLV-UHFFFAOYSA-N 1 0 375.394 3.716 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001258714157 1044732668 /nfs/dbraw/zinc/73/26/68/1044732668.db2.gz KEWGTJNQZRLDDE-YADHBBJMSA-N 1 0 382.589 3.711 20 30 GHEDRO C=CCC[C@@H](C)N(CC1CC1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001258729082 1044735251 /nfs/dbraw/zinc/73/52/51/1044735251.db2.gz SKCSWZDWYFHFCJ-GOSISDBHSA-N 1 0 396.579 3.577 20 30 GHEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCC(C)CC1)C1CC1 ZINC001295174513 1044938765 /nfs/dbraw/zinc/93/87/65/1044938765.db2.gz PQFSYTANAIZHDN-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F ZINC001295552862 1045050512 /nfs/dbraw/zinc/05/05/12/1045050512.db2.gz AMAJPMMRBANONK-CQSZACIVSA-N 1 0 394.445 3.546 20 30 GHEDRO CCC[C@H]1CN(C(=O)c2ccc(C=NOC)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001295599799 1045064434 /nfs/dbraw/zinc/06/44/34/1045064434.db2.gz APZTYLBICNIOOQ-QFIPXVFZSA-N 1 0 379.504 3.794 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001295680760 1045096033 /nfs/dbraw/zinc/09/60/33/1045096033.db2.gz JTLOBJBKAOSPEK-UHFFFAOYSA-N 1 0 378.524 3.539 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C(C)C)C1CC1 ZINC001295827013 1045155677 /nfs/dbraw/zinc/15/56/77/1045155677.db2.gz JALONKNJRYCIKK-OAQYLSRUSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21)C(C)C ZINC001295827141 1045156544 /nfs/dbraw/zinc/15/65/44/1045156544.db2.gz MBKBPQNQJNTOKM-WOJBJXKFSA-N 1 0 378.524 3.536 20 30 GHEDRO Cc1cccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C#N ZINC001462897342 1070637241 /nfs/dbraw/zinc/63/72/41/1070637241.db2.gz QRNASUXOUOUZQZ-NRFANRHFSA-N 1 0 397.544 3.618 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1CC ZINC001297408387 1045512932 /nfs/dbraw/zinc/51/29/32/1045512932.db2.gz CPYFBKQWMTWFGH-UHFFFAOYSA-N 1 0 380.414 3.900 20 30 GHEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001300922027 1046244390 /nfs/dbraw/zinc/24/43/90/1046244390.db2.gz VAZRPXXWJOQDIC-SJORKVTESA-N 1 0 399.963 3.546 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301079176 1046324147 /nfs/dbraw/zinc/32/41/47/1046324147.db2.gz AVSAPQMFWPETOU-HXUWFJFHSA-N 1 0 394.567 3.925 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001301087609 1046331650 /nfs/dbraw/zinc/33/16/50/1046331650.db2.gz NEUZJNFMCFUAIH-HXUWFJFHSA-N 1 0 395.551 3.518 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001262939488 1046437149 /nfs/dbraw/zinc/43/71/49/1046437149.db2.gz HRKLPFWXCPYUAE-IAGOWNOFSA-N 1 0 379.499 3.679 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001301280503 1046450486 /nfs/dbraw/zinc/45/04/86/1046450486.db2.gz NTJBHONXMBDWFB-GOSISDBHSA-N 1 0 378.524 3.703 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001301283205 1046452740 /nfs/dbraw/zinc/45/27/40/1046452740.db2.gz SINUTRTWMKNKRO-FDDCHVKYSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001301423950 1046538172 /nfs/dbraw/zinc/53/81/72/1046538172.db2.gz FJKNPFBEOCLACM-UHFFFAOYSA-N 1 0 391.604 3.770 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001263278896 1046672670 /nfs/dbraw/zinc/67/26/70/1046672670.db2.gz SVFZMGOYPASYLS-TZIWHRDSSA-N 1 0 399.583 3.797 20 30 GHEDRO C=C(C)Cn1c(-c2nc[nH]c2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001263340376 1046724323 /nfs/dbraw/zinc/72/43/23/1046724323.db2.gz JOQVLWCHGNDOHO-PKOBYXMFSA-N 1 0 397.571 3.644 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001302652888 1047027254 /nfs/dbraw/zinc/02/72/54/1047027254.db2.gz QFFHVTGPOWZVRN-QFIPXVFZSA-N 1 0 398.530 3.803 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001302879031 1047162695 /nfs/dbraw/zinc/16/26/95/1047162695.db2.gz KNBHNLCQDHYERR-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000589272403 1047170623 /nfs/dbraw/zinc/17/06/23/1047170623.db2.gz WXMVXJYGVHZSGE-UWJYYQICSA-N 1 0 399.922 3.915 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001303274006 1047336020 /nfs/dbraw/zinc/33/60/20/1047336020.db2.gz PSRAYHDJOLYHFT-WOJBJXKFSA-N 1 0 379.435 3.798 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(N3CCC[C@](C)(C#N)C3)nnc2C(C)(C)C)C1 ZINC001303303894 1047350463 /nfs/dbraw/zinc/35/04/63/1047350463.db2.gz ASJMHPXNDMTSBK-PGRDOPGGSA-N 1 0 386.588 3.826 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2C(C)(C)C)C1 ZINC001303303892 1047350929 /nfs/dbraw/zinc/35/09/29/1047350929.db2.gz ASJMHPXNDMTSBK-GCJKJVERSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C1CCC1)[NH+](C)C ZINC001303695803 1047483603 /nfs/dbraw/zinc/48/36/03/1047483603.db2.gz KRNZLZXTRQXDPT-OXJNMPFZSA-N 1 0 378.524 3.536 20 30 GHEDRO Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001304804586 1047775252 /nfs/dbraw/zinc/77/52/52/1047775252.db2.gz MGJGUZGTRCHOED-AZUAARDMSA-N 1 0 398.580 3.861 20 30 GHEDRO C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001304961066 1047822778 /nfs/dbraw/zinc/82/27/78/1047822778.db2.gz NPMXTEFOLWGLIB-RTBURBONSA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304985593 1047829172 /nfs/dbraw/zinc/82/91/72/1047829172.db2.gz WBHLZUKZOQTKRP-HMFYCAOWSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC001304994414 1047832198 /nfs/dbraw/zinc/83/21/98/1047832198.db2.gz YAAZUCABNRIYCV-MBOZVWFJSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCn2c(-c3ccccc3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001305047727 1047855123 /nfs/dbraw/zinc/85/51/23/1047855123.db2.gz COGAEUPQEJRSQX-LJQANCHMSA-N 1 0 392.551 3.807 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccco1 ZINC001305058272 1047865773 /nfs/dbraw/zinc/86/57/73/1047865773.db2.gz GPIXSIYBJOGWBG-KRWDZBQOSA-N 1 0 390.491 3.530 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C ZINC001305058082 1047866094 /nfs/dbraw/zinc/86/60/94/1047866094.db2.gz FJYIJRLABAAYOS-KRWDZBQOSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC(C)(C)C1 ZINC001305057845 1047866292 /nfs/dbraw/zinc/86/62/92/1047866292.db2.gz DAHVRECGMCYJOJ-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc2c(cc(Br)cc2OC)s1 ZINC001305109692 1047907319 /nfs/dbraw/zinc/90/73/19/1047907319.db2.gz XBZJHSHFSGZWSX-UHFFFAOYSA-N 1 0 384.299 3.514 20 30 GHEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=S)Nc1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC001279911606 1047986840 /nfs/dbraw/zinc/98/68/40/1047986840.db2.gz LTRSFEHEBLIFTE-QGZVFWFLSA-N 1 0 382.455 3.692 20 30 GHEDRO C=CCCCNC(=S)N1CCC[C@@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001279937232 1047994972 /nfs/dbraw/zinc/99/49/72/1047994972.db2.gz VTGBNFDANRKLIZ-IBGZPJMESA-N 1 0 378.611 3.580 20 30 GHEDRO C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)Nc1ncc(C)cc1Br ZINC001280127801 1048095935 /nfs/dbraw/zinc/09/59/35/1048095935.db2.gz GFXBRVMAMYKPTL-KDOFPFPSSA-N 1 0 378.314 3.912 20 30 GHEDRO C=CCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NCc1c(F)cccc1F ZINC001280129405 1048096136 /nfs/dbraw/zinc/09/61/36/1048096136.db2.gz WRDGIHNPFATHBM-MRXNPFEDSA-N 1 0 380.504 3.745 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001286276421 1048248160 /nfs/dbraw/zinc/24/81/60/1048248160.db2.gz XLTIZVYSHROFMA-SFHVURJKSA-N 1 0 381.568 3.922 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286279073 1048250132 /nfs/dbraw/zinc/25/01/32/1048250132.db2.gz JTQKUTRZMDFSIQ-GOSISDBHSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001286283671 1048253442 /nfs/dbraw/zinc/25/34/42/1048253442.db2.gz YRBRZAZLIRYYRB-FUHWJXTLSA-N 1 0 393.491 3.735 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286288531 1048257220 /nfs/dbraw/zinc/25/72/20/1048257220.db2.gz IZYGQQZSFMPQHF-CTNGQTDRSA-N 1 0 379.552 3.832 20 30 GHEDRO C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286350646 1048282589 /nfs/dbraw/zinc/28/25/89/1048282589.db2.gz IOPAPRWBULCXBR-MSOLQXFVSA-N 1 0 399.970 3.855 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001286362715 1048290057 /nfs/dbraw/zinc/29/00/57/1048290057.db2.gz DVSXXJUGGNGDSW-QZTJIDSGSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001286363631 1048290386 /nfs/dbraw/zinc/29/03/86/1048290386.db2.gz QIIPDOZOYDNSOG-LEWJYISDSA-N 1 0 379.552 3.764 20 30 GHEDRO C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001286382308 1048301455 /nfs/dbraw/zinc/30/14/55/1048301455.db2.gz YACQVKRYZZEWCQ-LJQANCHMSA-N 1 0 397.592 3.680 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001286458378 1048334143 /nfs/dbraw/zinc/33/41/43/1048334143.db2.gz RYBXEVRICINGDK-LJQANCHMSA-N 1 0 397.542 3.740 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC[N@@H+](CC)C(C)C ZINC001286519857 1048346267 /nfs/dbraw/zinc/34/62/67/1048346267.db2.gz NBDDOBFQXUFUBP-JOCHJYFZSA-N 1 0 383.515 3.807 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCC[NH+](CC)CC ZINC001286524785 1048349927 /nfs/dbraw/zinc/34/99/27/1048349927.db2.gz KCWMFENKCHYUQI-OAQYLSRUSA-N 1 0 385.581 3.654 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286579288 1048373392 /nfs/dbraw/zinc/37/33/92/1048373392.db2.gz NVZBQYMKASDBHZ-MOPGFXCFSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC1CC[NH+](CCC)CC1 ZINC001286580033 1048374197 /nfs/dbraw/zinc/37/41/97/1048374197.db2.gz XWKSBEFCCHRULQ-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001286620219 1048392784 /nfs/dbraw/zinc/39/27/84/1048392784.db2.gz HMISHFVPHTVHST-UWWQBHOKSA-N 1 0 377.964 3.997 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306078793 1048396494 /nfs/dbraw/zinc/39/64/94/1048396494.db2.gz FAJOLTSFRAZSAY-WZONZLPQSA-N 1 0 394.567 3.859 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286639682 1048406697 /nfs/dbraw/zinc/40/66/97/1048406697.db2.gz CRUKJHUJWSQZDZ-LJQANCHMSA-N 1 0 395.551 3.842 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286648331 1048415196 /nfs/dbraw/zinc/41/51/96/1048415196.db2.gz QCVMBGSQOQEPIZ-PMACEKPBSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CC1CCN(c2nnc(C)n2CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC001286657158 1048425323 /nfs/dbraw/zinc/42/53/23/1048425323.db2.gz UPXCARBGCFLQDE-UHFFFAOYSA-N 1 0 389.613 3.741 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286661192 1048426321 /nfs/dbraw/zinc/42/63/21/1048426321.db2.gz YCASDPOAAAOXPT-QGZVFWFLSA-N 1 0 380.540 3.534 20 30 GHEDRO CC1(C)CC[N@H+](CCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC001463339196 1070995303 /nfs/dbraw/zinc/99/53/03/1070995303.db2.gz UJQGTENVLQOSML-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CCC(C)(C)Cn1c(CC)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001286672548 1048436817 /nfs/dbraw/zinc/43/68/17/1048436817.db2.gz DQNLPWLUJDXIRZ-UHFFFAOYSA-N 1 0 381.568 3.808 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286673530 1048438074 /nfs/dbraw/zinc/43/80/74/1048438074.db2.gz YCZSVAZPPDPTAB-GOSISDBHSA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001286677595 1048439147 /nfs/dbraw/zinc/43/91/47/1048439147.db2.gz FSPBIXDEGQHRDD-RTBURBONSA-N 1 0 389.588 3.900 20 30 GHEDRO C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286687939 1048448542 /nfs/dbraw/zinc/44/85/42/1048448542.db2.gz STTMWPOLZHPCTR-QYZOEREBSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCCCC1 ZINC001286720689 1048477069 /nfs/dbraw/zinc/47/70/69/1048477069.db2.gz VCTKMKBUVOMNTK-UHFFFAOYSA-N 1 0 377.895 3.846 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286725514 1048483550 /nfs/dbraw/zinc/48/35/50/1048483550.db2.gz VBHVNTFAYRQJOX-RTWAWAEBSA-N 1 0 397.567 3.877 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCC[C@H]1C ZINC001286729131 1048485736 /nfs/dbraw/zinc/48/57/36/1048485736.db2.gz OTRAEGFNKVQQBM-GOSISDBHSA-N 1 0 385.581 3.985 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H](C)CC)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001286752478 1048505393 /nfs/dbraw/zinc/50/53/93/1048505393.db2.gz XJEDPQYDXWXQET-QYZOEREBSA-N 1 0 389.588 3.858 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001286967655 1048559509 /nfs/dbraw/zinc/55/95/09/1048559509.db2.gz IUYNPVHIYDALCX-QZTJIDSGSA-N 1 0 398.555 3.893 20 30 GHEDRO CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCC1 ZINC001306576192 1048748467 /nfs/dbraw/zinc/74/84/67/1048748467.db2.gz XKBFABOKLHHNDW-KRWDZBQOSA-N 1 0 380.540 3.926 20 30 GHEDRO CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001287576550 1048830003 /nfs/dbraw/zinc/83/00/03/1048830003.db2.gz YYBMSQUNFQPUBH-KRWDZBQOSA-N 1 0 380.540 3.782 20 30 GHEDRO CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001287673977 1048875509 /nfs/dbraw/zinc/87/55/09/1048875509.db2.gz AYBOSEGVUNCSEC-SFHVURJKSA-N 1 0 380.540 3.641 20 30 GHEDRO CCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCCC1 ZINC001306795530 1048900409 /nfs/dbraw/zinc/90/04/09/1048900409.db2.gz RKPYXHIVMLFBII-UHFFFAOYSA-N 1 0 380.540 3.929 20 30 GHEDRO N#Cc1ccc(NCC2([NH+]3CCCC3)CCOCC2)c(F)c1Br ZINC001306961685 1048981292 /nfs/dbraw/zinc/98/12/92/1048981292.db2.gz DBBLAFNJLXMRLT-UHFFFAOYSA-N 1 0 382.277 3.517 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001307034922 1049028657 /nfs/dbraw/zinc/02/86/57/1049028657.db2.gz NKUJMRPAIAMMQA-UHFFFAOYSA-N 1 0 395.555 3.525 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1 ZINC001307054328 1049043285 /nfs/dbraw/zinc/04/32/85/1049043285.db2.gz IFYLINWRGOLDSP-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNc2cccc(F)c2C#N)CC1 ZINC001307205238 1049138471 /nfs/dbraw/zinc/13/84/71/1049138471.db2.gz YWKOFEKROUHNEG-UHFFFAOYSA-N 1 0 390.503 3.832 20 30 GHEDRO C[C@@H](Cn1c(C2CCCC2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)[NH+](C)C ZINC001288636859 1049175571 /nfs/dbraw/zinc/17/55/71/1049175571.db2.gz KFSFEJWCKOYCTJ-WMQCIHAUSA-N 1 0 392.551 3.629 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC001307529829 1049375553 /nfs/dbraw/zinc/37/55/53/1049375553.db2.gz LZPSKYRHLAZHHH-SFTDATJTSA-N 1 0 378.497 3.889 20 30 GHEDRO CCCc1ccc([C@@H]([NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C(C)C)cc1 ZINC001307602693 1049442347 /nfs/dbraw/zinc/44/23/47/1049442347.db2.gz FFTLOINJPXJZEL-VWNXMTODSA-N 1 0 398.595 3.618 20 30 GHEDRO CCC[C@@H]1CN(Cc2cccc(C(=O)OC)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001307607454 1049445147 /nfs/dbraw/zinc/44/51/47/1049445147.db2.gz IEQDWEUQMZXPJI-OAQYLSRUSA-N 1 0 391.515 3.831 20 30 GHEDRO C=C(C)[C@@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 ZINC001307696850 1049515751 /nfs/dbraw/zinc/51/57/51/1049515751.db2.gz CCOVCHPRRRNZPE-LJQANCHMSA-N 1 0 386.398 3.790 20 30 GHEDRO Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CC[N@@H+](C)C2CCCC2)o1 ZINC001289556805 1049538628 /nfs/dbraw/zinc/53/86/28/1049538628.db2.gz NTBCLXQSQQTVQT-UHFFFAOYSA-N 1 0 396.539 3.851 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC2([NH+](C)C)CCCCC2)o1 ZINC001289560354 1049540792 /nfs/dbraw/zinc/54/07/92/1049540792.db2.gz PKRCMBZEIZCUAC-UHFFFAOYSA-N 1 0 396.539 3.851 20 30 GHEDRO Cc1cc2oc(=O)cc(C[N@H+](C)CCOCc3ccc(C#N)cc3)c2cc1C ZINC001307812314 1049609102 /nfs/dbraw/zinc/60/91/02/1049609102.db2.gz OQVOJLRRRGEZKF-UHFFFAOYSA-N 1 0 376.456 3.930 20 30 GHEDRO O=C(N1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)Cc2ccccc21)C(F)(F)F ZINC001307915633 1049691777 /nfs/dbraw/zinc/69/17/77/1049691777.db2.gz VSOYINSYIHWEBU-QGZVFWFLSA-N 1 0 392.808 3.801 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1([NH+](C)C)CCCC1 ZINC001290103542 1049732121 /nfs/dbraw/zinc/73/21/21/1049732121.db2.gz NCXPRFOGCOLYSI-KRWDZBQOSA-N 1 0 380.540 3.724 20 30 GHEDRO COc1ccccc1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC001308028839 1049779310 /nfs/dbraw/zinc/77/93/10/1049779310.db2.gz ZTQZMWHIUDFZPB-LEWJYISDSA-N 1 0 394.515 3.771 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@@H+](C)C[C@@H]2CC(C)C)c1C#N ZINC001308101031 1049846648 /nfs/dbraw/zinc/84/66/48/1049846648.db2.gz UPYGZJQDQFPNNR-FQEVSTJZSA-N 1 0 399.583 3.692 20 30 GHEDRO C=CCCC[N@@H+](CC)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001308135411 1049877289 /nfs/dbraw/zinc/87/72/89/1049877289.db2.gz XSVFUBWHRFYZBU-MRXNPFEDSA-N 1 0 383.414 3.581 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC001308145049 1049883172 /nfs/dbraw/zinc/88/31/72/1049883172.db2.gz HEXWFRNJKVDUPQ-IAGOWNOFSA-N 1 0 375.900 3.679 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001308146245 1049884305 /nfs/dbraw/zinc/88/43/05/1049884305.db2.gz VHGNERDGDFCTIQ-OIISXLGYSA-N 1 0 375.900 3.677 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)nc1 ZINC001308148236 1049885529 /nfs/dbraw/zinc/88/55/29/1049885529.db2.gz ITTDPETZNAVSBX-LJQANCHMSA-N 1 0 384.867 3.781 20 30 GHEDRO C#CCN(CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C(=O)OC(C)(C)C ZINC001290687110 1049901098 /nfs/dbraw/zinc/90/10/98/1049901098.db2.gz KAONVXNWNAEHTJ-GOSISDBHSA-N 1 0 399.535 3.727 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001290720367 1049908777 /nfs/dbraw/zinc/90/87/77/1049908777.db2.gz HROJHLDMJNRLMX-OALUTQOASA-N 1 0 394.567 3.853 20 30 GHEDRO C=C[C@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC001290805992 1049928590 /nfs/dbraw/zinc/92/85/90/1049928590.db2.gz JKWHWROCKNPXNV-DEOSSOPVSA-N 1 0 391.559 3.983 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC001308370533 1049960820 /nfs/dbraw/zinc/96/08/20/1049960820.db2.gz NGVGZIRKLNNPBT-UHFFFAOYSA-N 1 0 386.289 3.728 20 30 GHEDRO N#Cc1ccc(Br)c(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001308390030 1049964747 /nfs/dbraw/zinc/96/47/47/1049964747.db2.gz KBBZQASJUWHHFX-SFHVURJKSA-N 1 0 384.321 3.932 20 30 GHEDRO C#CCOc1ccc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001308492466 1049988967 /nfs/dbraw/zinc/98/89/67/1049988967.db2.gz JQIHOOPSKLTLRA-ACDBMABISA-N 1 0 384.520 3.966 20 30 GHEDRO Fc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1OCC(F)(F)F ZINC001308519951 1049997597 /nfs/dbraw/zinc/99/75/97/1049997597.db2.gz ZNMPIBIEWXSTGE-JQWIXIFHSA-N 1 0 375.284 3.966 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001308521198 1049997809 /nfs/dbraw/zinc/99/78/09/1049997809.db2.gz PKNRNXPQUJTTNL-CYBMUJFWSA-N 1 0 391.231 3.535 20 30 GHEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC001308535218 1050001376 /nfs/dbraw/zinc/00/13/76/1050001376.db2.gz NFJZRGICOLRXDT-MRXNPFEDSA-N 1 0 390.447 3.660 20 30 GHEDRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc(C#N)n1 ZINC001308701011 1050064549 /nfs/dbraw/zinc/06/45/49/1050064549.db2.gz HUGBNTQMXQVDFL-LJQANCHMSA-N 1 0 388.309 3.843 20 30 GHEDRO C#C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1F ZINC001308758779 1050084935 /nfs/dbraw/zinc/08/49/35/1050084935.db2.gz UIKYDANEDWCWHC-GOSISDBHSA-N 1 0 388.830 3.715 20 30 GHEDRO CCOC(=O)[C@]12CCC[C@H]1C[C@H]([NH2+]C1CCN(c3ccccc3C#N)CC1)C2 ZINC001308892475 1050142897 /nfs/dbraw/zinc/14/28/97/1050142897.db2.gz ZZVRGYZUNYKENW-LEDOBFOHSA-N 1 0 381.520 3.629 20 30 GHEDRO Cc1ccc(CC2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC001327498713 1050197870 /nfs/dbraw/zinc/19/78/70/1050197870.db2.gz JNFGVWOBBZECMQ-QHCPKHFHSA-N 1 0 378.516 3.756 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(-c2ccc(F)cc2)n1 ZINC001308948895 1050209988 /nfs/dbraw/zinc/20/99/88/1050209988.db2.gz NMRWXDBIONPGHI-HXUWFJFHSA-N 1 0 390.466 3.569 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001330601764 1051039026 /nfs/dbraw/zinc/03/90/26/1051039026.db2.gz PZMHRONKMRFVQU-AEFFLSMTSA-N 1 0 382.489 3.553 20 30 GHEDRO C[NH2+]C1(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCCCC1 ZINC001310087398 1051146258 /nfs/dbraw/zinc/14/62/58/1051146258.db2.gz MGSUYKKVGXLVKV-UHFFFAOYSA-N 1 0 383.521 3.649 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)[C@@H]2C1 ZINC001310364322 1051310167 /nfs/dbraw/zinc/31/01/67/1051310167.db2.gz PRVHLZNMEVLFTF-MAUKXSAKSA-N 1 0 380.423 3.657 20 30 GHEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c(F)cc1C#N ZINC001331543168 1051320106 /nfs/dbraw/zinc/32/01/06/1051320106.db2.gz TXTLPKQUGLXYPF-UHFFFAOYSA-N 1 0 396.466 3.754 20 30 GHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001310395336 1051327368 /nfs/dbraw/zinc/32/73/68/1051327368.db2.gz VCECXWODWVUUOK-YADHBBJMSA-N 1 0 391.540 3.788 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cnn2ccccc12 ZINC001332446182 1051523602 /nfs/dbraw/zinc/52/36/02/1051523602.db2.gz HIBWDGBXRKDCBK-QGZVFWFLSA-N 1 0 397.523 3.743 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[NH+]2CCCC2)cc1 ZINC001310858501 1051657373 /nfs/dbraw/zinc/65/73/73/1051657373.db2.gz MIFNZHHGFSSZBW-CQSZACIVSA-N 1 0 389.912 3.935 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)n3)cc2)C1 ZINC001311157971 1051912798 /nfs/dbraw/zinc/91/27/98/1051912798.db2.gz NVTXCJMKUMWLKO-ROUUACIJSA-N 1 0 391.519 3.947 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CCc2cccc(C#N)c2)c1 ZINC001311351221 1052047157 /nfs/dbraw/zinc/04/71/57/1052047157.db2.gz CSFMKBDLCWCHBN-UHFFFAOYSA-N 1 0 378.520 3.784 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCC2(CCCCC2)O1)C(C)C ZINC001311388442 1052080094 /nfs/dbraw/zinc/08/00/94/1052080094.db2.gz OIBQIZRJUCYFSU-PMACEKPBSA-N 1 0 377.573 3.866 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N=Nc3cncc(Br)c3)CC2)cc1 ZINC001335897987 1052199466 /nfs/dbraw/zinc/19/94/66/1052199466.db2.gz RKNATPIQOJAEEV-UHFFFAOYSA-N 1 0 384.281 3.780 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001336086268 1052226071 /nfs/dbraw/zinc/22/60/71/1052226071.db2.gz ZUTDRTZEAHDONG-ZDUSSCGKSA-N 1 0 398.406 3.733 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(C)c(C#N)c1)[NH+]1CCCC1 ZINC001311571525 1052254165 /nfs/dbraw/zinc/25/41/65/1052254165.db2.gz LCYXBHIHJJBUEN-NRFANRHFSA-N 1 0 392.503 3.512 20 30 GHEDRO C[C@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC001311727995 1052359746 /nfs/dbraw/zinc/35/97/46/1052359746.db2.gz QJJSOFPZUVZMSU-SFHVURJKSA-N 1 0 376.504 3.582 20 30 GHEDRO C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311823332 1052421825 /nfs/dbraw/zinc/42/18/25/1052421825.db2.gz URJHHCVUYJDDCW-PKOBYXMFSA-N 1 0 388.531 3.779 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC001312217718 1052643270 /nfs/dbraw/zinc/64/32/70/1052643270.db2.gz BDISIGYNLVOJFY-VNHKHXMHSA-N 1 0 375.516 3.817 20 30 GHEDRO C#Cc1cccc(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001312313036 1052689826 /nfs/dbraw/zinc/68/98/26/1052689826.db2.gz DCJGKEVXGQKBQZ-AUSIDOKSSA-N 1 0 375.516 3.768 20 30 GHEDRO CC[C@@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001312866549 1052897688 /nfs/dbraw/zinc/89/76/88/1052897688.db2.gz VYEYSCJBKXFUGQ-HXUWFJFHSA-N 1 0 380.467 3.503 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001313003245 1052930783 /nfs/dbraw/zinc/93/07/83/1052930783.db2.gz IPOJJRLXVZEEQU-QHCPKHFHSA-N 1 0 390.531 3.653 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001313004206 1052931522 /nfs/dbraw/zinc/93/15/22/1052931522.db2.gz FSHGGTLALPFMED-YADHBBJMSA-N 1 0 380.536 3.910 20 30 GHEDRO C=CCn1c([C@@H](CC(C)C)n2ccnc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001342323907 1053109063 /nfs/dbraw/zinc/10/90/63/1053109063.db2.gz KAEATSUMDZZNRV-HXUWFJFHSA-N 1 0 399.587 3.607 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001313712253 1053184857 /nfs/dbraw/zinc/18/48/57/1053184857.db2.gz MDLXKDTZGOMJMI-VQTJNVASSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)C1 ZINC001313713451 1053185709 /nfs/dbraw/zinc/18/57/09/1053185709.db2.gz UIJYNPNOMPZORM-QGZVFWFLSA-N 1 0 396.539 3.617 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2CC)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342509101 1053207280 /nfs/dbraw/zinc/20/72/80/1053207280.db2.gz AEKDHTAMXKFJBA-UHFFFAOYSA-N 1 0 388.585 3.851 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001342891796 1053415983 /nfs/dbraw/zinc/41/59/83/1053415983.db2.gz VNXAPSGCGAEGHZ-XUVXKRRUSA-N 1 0 384.572 3.654 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001342924846 1053439164 /nfs/dbraw/zinc/43/91/64/1053439164.db2.gz OMCLUDMISAKEIQ-XUVXKRRUSA-N 1 0 382.556 3.574 20 30 GHEDRO C=C(C)Cn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001343022661 1053503664 /nfs/dbraw/zinc/50/36/64/1053503664.db2.gz OQYNXUMIVRNUJL-ZCNNSNEGSA-N 1 0 399.583 3.591 20 30 GHEDRO C=C(C)Cn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC(F)CC1 ZINC001343030081 1053508266 /nfs/dbraw/zinc/50/82/66/1053508266.db2.gz KYGCKXWPVAADPG-UHFFFAOYSA-N 1 0 398.530 3.880 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CCCCC)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343055130 1053521804 /nfs/dbraw/zinc/52/18/04/1053521804.db2.gz PPYYQIPUYPLAQA-MTQWCTHYSA-N 1 0 389.588 3.634 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC001314649394 1053549498 /nfs/dbraw/zinc/54/94/98/1053549498.db2.gz AUDBCPXRUGJPHN-AVRDEDQJSA-N 1 0 398.530 3.612 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001343496359 1053814052 /nfs/dbraw/zinc/81/40/52/1053814052.db2.gz ZBJSQECWGGYYSA-IAGOWNOFSA-N 1 0 381.515 3.925 20 30 GHEDRO COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[NH+]2CCCCC2)c1 ZINC001315552643 1053850440 /nfs/dbraw/zinc/85/04/40/1053850440.db2.gz UDIRDQSNXUCPIY-GOSISDBHSA-N 1 0 396.539 3.568 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001343553546 1053872661 /nfs/dbraw/zinc/87/26/61/1053872661.db2.gz IESOTRPVPLAGPJ-ROUUACIJSA-N 1 0 377.577 3.898 20 30 GHEDRO C=C(C)Cn1c(-c2sc(C)nc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343622562 1053934068 /nfs/dbraw/zinc/93/40/68/1053934068.db2.gz KSLJFQOTVRQHFL-UHFFFAOYSA-N 1 0 388.585 3.905 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@H]([NH+]3CCCC3)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001343732822 1053990598 /nfs/dbraw/zinc/99/05/98/1053990598.db2.gz LKAZXQJYVYKLCH-WMZHIEFXSA-N 1 0 394.567 3.644 20 30 GHEDRO C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001344016017 1054187894 /nfs/dbraw/zinc/18/78/94/1054187894.db2.gz BXQUQCYSRZFOIP-HXUWFJFHSA-N 1 0 389.588 3.634 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)cc1C#N ZINC001318724326 1054826595 /nfs/dbraw/zinc/82/65/95/1054826595.db2.gz MNOABSSNKPDBAW-UHFFFAOYSA-N 1 0 381.476 3.881 20 30 GHEDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC001345634545 1055177139 /nfs/dbraw/zinc/17/71/39/1055177139.db2.gz IMYFMBWRCXJYPO-NZQKXSOJSA-N 1 0 377.488 3.953 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+](C(C)(C)C)CC2)c1C#N ZINC001319403507 1055230267 /nfs/dbraw/zinc/23/02/67/1055230267.db2.gz KWLSVHXXVVGSFO-UHFFFAOYSA-N 1 0 399.583 3.836 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)o2)cc1 ZINC001319492392 1055288579 /nfs/dbraw/zinc/28/85/79/1055288579.db2.gz WXPXPZFHAARYHZ-QGZVFWFLSA-N 1 0 384.443 3.864 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1F ZINC001320225172 1055715100 /nfs/dbraw/zinc/71/51/00/1055715100.db2.gz CQTDHGHSAVVTGT-LBPRGKRZSA-N 1 0 379.357 3.797 20 30 GHEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001320719187 1055939246 /nfs/dbraw/zinc/93/92/46/1055939246.db2.gz RPXPOLPQAKBRIX-ATZDWAIDSA-N 1 0 375.472 3.511 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCc1ccccc1 ZINC001354643895 1056852609 /nfs/dbraw/zinc/85/26/09/1056852609.db2.gz FMSXSMQXGJDZJE-LJQANCHMSA-N 1 0 392.551 3.603 20 30 GHEDRO N#Cc1cncc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC001354711809 1056907188 /nfs/dbraw/zinc/90/71/88/1056907188.db2.gz FPPKNGXDOZVSDJ-UHFFFAOYSA-N 1 0 377.366 3.647 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492495914 1057031197 /nfs/dbraw/zinc/03/11/97/1057031197.db2.gz IMBVKXYPPPGPLT-RTBURBONSA-N 1 0 395.555 3.651 20 30 GHEDRO CN1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC001323999530 1057052779 /nfs/dbraw/zinc/05/27/79/1057052779.db2.gz MWTIECIXSFQTAL-PKTZIBPZSA-N 1 0 378.495 3.701 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC001324922855 1057248828 /nfs/dbraw/zinc/24/88/28/1057248828.db2.gz AODKUKSHJSFFAJ-CQSZACIVSA-N 1 0 391.393 3.516 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325029421 1057266976 /nfs/dbraw/zinc/26/69/76/1057266976.db2.gz SRZVFBLFJNLIRM-HKUYNNGSSA-N 1 0 378.476 3.621 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1ccccc1 ZINC001355864580 1057297927 /nfs/dbraw/zinc/29/79/27/1057297927.db2.gz XIJVETOKONVJBA-NRFANRHFSA-N 1 0 395.551 3.807 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001325994919 1057393022 /nfs/dbraw/zinc/39/30/22/1057393022.db2.gz DEURVBSFALTDEH-UFYCRDLUSA-N 1 0 385.870 3.898 20 30 GHEDRO CCn1c(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nnc1C(C)(C)C#N ZINC001356289530 1057461020 /nfs/dbraw/zinc/46/10/20/1057461020.db2.gz FBUVQVWXLMVGRJ-UHFFFAOYSA-N 1 0 392.551 3.592 20 30 GHEDRO Cc1ccc2c(c1)S[C@H](C(=O)NC1CC[NH+](Cc3cccc(C#N)c3)CC1)C2 ZINC001326497287 1057496686 /nfs/dbraw/zinc/49/66/86/1057496686.db2.gz PSPBBOQVIHGZEO-QFIPXVFZSA-N 1 0 391.540 3.664 20 30 GHEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1F ZINC001326728897 1057543851 /nfs/dbraw/zinc/54/38/51/1057543851.db2.gz QNCILVXGHYCCEY-OAHLLOKOSA-N 1 0 383.442 3.721 20 30 GHEDRO C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)c(F)c1 ZINC001326751889 1057548754 /nfs/dbraw/zinc/54/87/54/1057548754.db2.gz JWHUAZRWVXBUHH-HNNXBMFYSA-N 1 0 383.442 3.721 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001356577760 1057555126 /nfs/dbraw/zinc/55/51/26/1057555126.db2.gz IIOISXUFUZSVER-VNTMZGSJSA-N 1 0 382.556 3.572 20 30 GHEDRO CCOc1cc(CNC(=[NH+]Cc2ccccc2)N(C)C)ccc1OC(F)F ZINC000849060011 1057571894 /nfs/dbraw/zinc/57/18/94/1057571894.db2.gz CTSOEYAFPVJSDD-UHFFFAOYSA-N 1 0 377.435 3.894 20 30 GHEDRO C=CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC[C@H](CF)C1 ZINC001338625075 1058693419 /nfs/dbraw/zinc/69/34/19/1058693419.db2.gz AYDMGGSWZZPDKM-GOSISDBHSA-N 1 0 398.530 3.737 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N3CCC(CC#N)CC3)n2C)C1 ZINC001338659399 1058714661 /nfs/dbraw/zinc/71/46/61/1058714661.db2.gz SMOXCSTXHZCPLS-VGOFRKELSA-N 1 0 396.514 3.577 20 30 GHEDRO C=CCn1c([C@@H]2CCCc3cccnc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001338724270 1058749154 /nfs/dbraw/zinc/74/91/54/1058749154.db2.gz WAPMLKQKMZSBNA-LJQANCHMSA-N 1 0 394.567 3.638 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001338793122 1058789827 /nfs/dbraw/zinc/78/98/27/1058789827.db2.gz LZVSIJANJRLREA-UHFFFAOYSA-N 1 0 396.304 3.556 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1C(C)(C)COC(C)(C)C ZINC001338851939 1058830429 /nfs/dbraw/zinc/83/04/29/1058830429.db2.gz QOPMCHYRXIVIIX-UHFFFAOYSA-N 1 0 391.604 3.867 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001338870553 1058845541 /nfs/dbraw/zinc/84/55/41/1058845541.db2.gz IHJGQBUBUBHJNZ-VQIMIIECSA-N 1 0 398.555 3.827 20 30 GHEDRO C=CCn1c(-c2cccc3ccn(C)c32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001338946478 1058901423 /nfs/dbraw/zinc/90/14/23/1058901423.db2.gz QEIVTZWLENFVKF-UHFFFAOYSA-N 1 0 378.524 3.590 20 30 GHEDRO C=CCn1c(CSc2ccccc2O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001338995479 1058917703 /nfs/dbraw/zinc/91/77/03/1058917703.db2.gz PNJKXYUYJBOTBE-KRWDZBQOSA-N 1 0 399.564 3.527 20 30 GHEDRO N#CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1 ZINC001445888071 1059646901 /nfs/dbraw/zinc/64/69/01/1059646901.db2.gz XFJNSPPRJBWCEJ-UXHICEINSA-N 1 0 397.906 3.824 20 30 GHEDRO N#CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1 ZINC001445888077 1059647601 /nfs/dbraw/zinc/64/76/01/1059647601.db2.gz XFJNSPPRJBWCEJ-WOJBJXKFSA-N 1 0 397.906 3.824 20 30 GHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001340111674 1059705920 /nfs/dbraw/zinc/70/59/20/1059705920.db2.gz YLEAFLLBLQCSNC-UHFFFAOYSA-N 1 0 388.874 3.636 20 30 GHEDRO CC[C@@H](Cn1c(C2CC2)nnc1N(C)C[C@@H](C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC001545981778 1059714452 /nfs/dbraw/zinc/71/44/52/1059714452.db2.gz BDPLLVTWPUQVEK-UWJYYQICSA-N 1 0 392.551 3.588 20 30 GHEDRO CCn1c(CCCC#N)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001340295587 1059834874 /nfs/dbraw/zinc/83/48/74/1059834874.db2.gz WAEBCEBMOUQFMA-UYAOXDASSA-N 1 0 380.540 3.634 20 30 GHEDRO CCN(C(=O)/C=C/C(=O)c1ccc(C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001447364872 1059955726 /nfs/dbraw/zinc/95/57/26/1059955726.db2.gz ZRDZQYIJJVKPPJ-TWLJRWAQSA-N 1 0 376.500 3.857 20 30 GHEDRO C=CCn1c(-c2cc3c(cccc3O)[nH]2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340520846 1059960619 /nfs/dbraw/zinc/96/06/19/1059960619.db2.gz QNNXOAYFSAYQQJ-UHFFFAOYSA-N 1 0 394.523 3.629 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001340584602 1059986346 /nfs/dbraw/zinc/98/63/46/1059986346.db2.gz WXVDJRSZLGSGCL-WOJBJXKFSA-N 1 0 384.572 3.676 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001448872304 1060288147 /nfs/dbraw/zinc/28/81/47/1060288147.db2.gz JKISTAPEKKRUGS-UHFFFAOYSA-N 1 0 394.441 3.530 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC001449631469 1060437135 /nfs/dbraw/zinc/43/71/35/1060437135.db2.gz BYWDNIROLIHCFN-SFHVURJKSA-N 1 0 377.488 3.694 20 30 GHEDRO [NH3+]CCCCCCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001341308158 1060569921 /nfs/dbraw/zinc/56/99/21/1060569921.db2.gz HLZWHOJGMPUJBG-NXEZZACHSA-N 1 0 396.322 3.525 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1Cc2ccccc2C1 ZINC001341679975 1060806622 /nfs/dbraw/zinc/80/66/22/1060806622.db2.gz NZEUNTLLMVCHHE-OAQYLSRUSA-N 1 0 393.535 3.690 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@@H+](C(C)C)CC2)nnc1C(C)(C)c1nccs1 ZINC001342053812 1061027128 /nfs/dbraw/zinc/02/71/28/1061027128.db2.gz NMWPDPCQURMYPT-UHFFFAOYSA-N 1 0 388.585 3.557 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H](C[NH+](CC)CC)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001342088995 1061049966 /nfs/dbraw/zinc/04/99/66/1061049966.db2.gz RWCQPXPTIBYERL-CVDCTZTESA-N 1 0 396.583 3.748 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(C#CCO)c1 ZINC001453168018 1061086472 /nfs/dbraw/zinc/08/64/72/1061086472.db2.gz CXJMLRAQSBQLIL-UHFFFAOYSA-N 1 0 398.934 3.668 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(c2nnc(N(C)[C@@H](C)CC#N)n2CC2CC2)CC1 ZINC001346131265 1061388020 /nfs/dbraw/zinc/38/80/20/1061388020.db2.gz IPNYIJUWFZHILY-KRWDZBQOSA-N 1 0 393.539 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001346228288 1061464333 /nfs/dbraw/zinc/46/43/33/1061464333.db2.gz HQWQMMBCQZYRQM-OTWHNJEPSA-N 1 0 389.588 3.693 20 30 GHEDRO Cc1ccc(C(=O)/C=C\C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc1 ZINC001454263060 1061676472 /nfs/dbraw/zinc/67/64/72/1061676472.db2.gz YABDGOHLROZGMQ-QXMHVHEDSA-N 1 0 388.511 3.740 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CCC[C@@H](C2CCOCC2)C1 ZINC001346627351 1061744320 /nfs/dbraw/zinc/74/43/20/1061744320.db2.gz LSEPEXSTTSXSID-WOJBJXKFSA-N 1 0 387.572 3.654 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(CC#N)cc3)n2CC2CC2)C1 ZINC001348145100 1062936523 /nfs/dbraw/zinc/93/65/23/1062936523.db2.gz KFEYIUHKRVAIMD-HXUWFJFHSA-N 1 0 392.551 3.589 20 30 GHEDRO CCN(C(=O)Cc1c(C)cc(C#N)cc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435810411 1062941006 /nfs/dbraw/zinc/94/10/06/1062941006.db2.gz YSEBYGWSWLQCIM-JOCHJYFZSA-N 1 0 375.516 3.841 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC001348953658 1063440979 /nfs/dbraw/zinc/44/09/79/1063440979.db2.gz UZVHAKIOLYFXGL-UHFFFAOYSA-N 1 0 397.906 3.878 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])cc2)C1 ZINC001458112193 1063573610 /nfs/dbraw/zinc/57/36/10/1063573610.db2.gz NDXWLGYPJIGWQB-HOTGVXAUSA-N 1 0 379.464 3.951 20 30 GHEDRO C=CC[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC001437386498 1063842609 /nfs/dbraw/zinc/84/26/09/1063842609.db2.gz XREZJZHTYJJZRM-RBZQAINGSA-N 1 0 390.527 3.848 20 30 GHEDRO CC(C)[C@H](CNC(=O)c1cccc(C#N)c1Br)[NH+]1CCC(C)CC1 ZINC001350327339 1064056871 /nfs/dbraw/zinc/05/68/71/1064056871.db2.gz MKDTZIYDJATSLE-KRWDZBQOSA-N 1 0 392.341 3.807 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001459350796 1064070600 /nfs/dbraw/zinc/07/06/00/1064070600.db2.gz ZONMHEFBTXZURX-IBGZPJMESA-N 1 0 395.588 3.748 20 30 GHEDRO CC[C@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1cccc(C#N)c1 ZINC001459697540 1064175479 /nfs/dbraw/zinc/17/54/79/1064175479.db2.gz WLSBCCPCINQBBB-YWZLYKJASA-N 1 0 376.460 3.541 20 30 GHEDRO Cc1cc(F)ccc1N(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1cccc(C#N)c1 ZINC001459708733 1064180999 /nfs/dbraw/zinc/18/09/99/1064180999.db2.gz XVNSOFRTTMXYNM-SZPZYZBQSA-N 1 0 379.479 3.876 20 30 GHEDRO N#CC1(C[C@@H](O)CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CCC1 ZINC001459770169 1064208306 /nfs/dbraw/zinc/20/83/06/1064208306.db2.gz HHWIESWPCAGQKO-JOCHJYFZSA-N 1 0 381.564 3.952 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001459815335 1064229254 /nfs/dbraw/zinc/22/92/54/1064229254.db2.gz QZWJOZHGNPUOAB-SFHVURJKSA-N 1 0 390.458 3.695 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1)cc2=O ZINC001459846966 1064240626 /nfs/dbraw/zinc/24/06/26/1064240626.db2.gz AMCJDFCWVNFCDJ-LJQANCHMSA-N 1 0 381.867 3.981 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1oc2ccc(F)cc2c1C)C(C)C ZINC001463523166 1064433442 /nfs/dbraw/zinc/43/34/42/1064433442.db2.gz CSVBGHICARJOSA-SFHVURJKSA-N 1 0 394.512 3.857 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001351452174 1064453961 /nfs/dbraw/zinc/45/39/61/1064453961.db2.gz AKAQLOXIEAQZAO-AEFFLSMTSA-N 1 0 384.528 3.518 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001351452176 1064454432 /nfs/dbraw/zinc/45/44/32/1064454432.db2.gz AKAQLOXIEAQZAO-SJLPKXTDSA-N 1 0 384.528 3.518 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c4cccc(C#N)c34)c(C)c2)CC1 ZINC001463708390 1064562148 /nfs/dbraw/zinc/56/21/48/1064562148.db2.gz QPVUCENISMGQIQ-UHFFFAOYSA-N 1 0 387.487 3.742 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC001352101457 1064834152 /nfs/dbraw/zinc/83/41/52/1064834152.db2.gz CBPQZWIHQNZQRL-HXUWFJFHSA-N 1 0 381.524 3.623 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC001464154388 1064867687 /nfs/dbraw/zinc/86/76/87/1064867687.db2.gz DXTAGIHUVWOSEB-SFHVURJKSA-N 1 0 390.531 3.786 20 30 GHEDRO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(C#N)c1 ZINC001464344725 1064963959 /nfs/dbraw/zinc/96/39/59/1064963959.db2.gz XBDHFRVOEFEUDL-OAQYLSRUSA-N 1 0 397.544 3.542 20 30 GHEDRO CCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C#N ZINC001352356052 1064989603 /nfs/dbraw/zinc/98/96/03/1064989603.db2.gz MBDDTJHGSHRZOV-IEBWSBKVSA-N 1 0 380.540 3.588 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1coc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC001464493172 1065043883 /nfs/dbraw/zinc/04/38/83/1065043883.db2.gz KDGFDVXWCWBMRF-QGZVFWFLSA-N 1 0 379.382 3.983 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC[NH+]1CCC(C)CC1 ZINC001492556799 1065107856 /nfs/dbraw/zinc/10/78/56/1065107856.db2.gz SLOAVPJTZMXPDP-IBGZPJMESA-N 1 0 380.540 3.724 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn(-c2cccc(Cl)c2)c1)C(C)C ZINC001464868249 1065252570 /nfs/dbraw/zinc/25/25/70/1065252570.db2.gz FWKYKCCEFVSRBJ-HXUWFJFHSA-N 1 0 386.927 3.954 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001465375189 1065574397 /nfs/dbraw/zinc/57/43/97/1065574397.db2.gz SDNDNEKAZPQUPM-KURKYZTESA-N 1 0 381.561 3.567 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001465730562 1065815750 /nfs/dbraw/zinc/81/57/50/1065815750.db2.gz ZVUIEEYTSOJGHP-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC001465906322 1065916679 /nfs/dbraw/zinc/91/66/79/1065916679.db2.gz NJYKCNOWZUHLSJ-GOSISDBHSA-N 1 0 388.487 3.846 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@@H+](CC)C(C)C ZINC001300298461 1065951141 /nfs/dbraw/zinc/95/11/41/1065951141.db2.gz DFKHXCPOOGSEEB-KRWDZBQOSA-N 1 0 378.524 3.615 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300304295 1065959867 /nfs/dbraw/zinc/95/98/67/1065959867.db2.gz QLHBMLDUFGFVTQ-WIYYLYMNSA-N 1 0 377.536 3.668 20 30 GHEDRO N#Cc1cc(Cl)c(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001353465366 1065962479 /nfs/dbraw/zinc/96/24/79/1065962479.db2.gz KBIQPIKNXPVHEC-UHFFFAOYSA-N 1 0 375.259 3.659 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300315303 1065976512 /nfs/dbraw/zinc/97/65/12/1065976512.db2.gz VCLNDISODAJCDX-IBGZPJMESA-N 1 0 399.608 3.900 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300316717 1065979150 /nfs/dbraw/zinc/97/91/50/1065979150.db2.gz BZOHRAUTMHMKMD-SFTDATJTSA-N 1 0 393.579 3.643 20 30 GHEDRO CCCCCCCCCNC(=S)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001200373313 1066008994 /nfs/dbraw/zinc/00/89/94/1066008994.db2.gz YJGULGMRKPUCDE-SFHVURJKSA-N 1 0 379.618 3.502 20 30 GHEDRO C[C@@H](OCc1ccccc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745700 1066020156 /nfs/dbraw/zinc/02/01/56/1066020156.db2.gz MRGXCLATOWZXLD-HXUWFJFHSA-N 1 0 392.499 3.941 20 30 GHEDRO N#CC1(COC(=O)c2ccc3c(n2)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847749633 1066035014 /nfs/dbraw/zinc/03/50/14/1066035014.db2.gz XAGSUZLLEZCQHW-UHFFFAOYSA-N 1 0 389.499 3.923 20 30 GHEDRO C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001300362758 1066105074 /nfs/dbraw/zinc/10/50/74/1066105074.db2.gz UUAURFOGNFONHC-OAQYLSRUSA-N 1 0 399.583 3.778 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC001466497375 1066172844 /nfs/dbraw/zinc/17/28/44/1066172844.db2.gz MYEKHPFNYWUVGV-CYBMUJFWSA-N 1 0 379.302 3.563 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000847856092 1066283290 /nfs/dbraw/zinc/28/32/90/1066283290.db2.gz LYXZTJRYMHOCPA-UHFFFAOYSA-N 1 0 399.579 3.719 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)ccc1OC ZINC001200459733 1066289804 /nfs/dbraw/zinc/28/98/04/1066289804.db2.gz IRRXPDSDSQYMRS-INIZCTEOSA-N 1 0 391.512 3.769 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001466982852 1066427507 /nfs/dbraw/zinc/42/75/07/1066427507.db2.gz JRAIRLSYAUHOBA-QGZVFWFLSA-N 1 0 393.491 3.907 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3sccc3C#N)cc2)C[C@H](C)O1 ZINC001466986414 1066429242 /nfs/dbraw/zinc/42/92/42/1066429242.db2.gz ZAOSEDKJISWWIG-GJZGRUSLSA-N 1 0 384.505 3.551 20 30 GHEDRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC001467177003 1067123803 /nfs/dbraw/zinc/12/38/03/1067123803.db2.gz QOSXQWOMSXDBPJ-UHFFFAOYSA-N 1 0 378.476 3.874 20 30 GHEDRO CCCN(C(=O)COc1cccc(C#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357521918 1067143624 /nfs/dbraw/zinc/14/36/24/1067143624.db2.gz WMPOVFWZJUOHDN-JOCHJYFZSA-N 1 0 391.515 3.840 20 30 GHEDRO COC1CC[NH+](C2(CNC(=O)Nc3ccc(C4CC4)c(C#N)c3)CCCC2)CC1 ZINC001467203571 1067148885 /nfs/dbraw/zinc/14/88/85/1067148885.db2.gz COPNGXJFVHUGED-UHFFFAOYSA-N 1 0 396.535 3.981 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2C#N)C1 ZINC001357630178 1067205081 /nfs/dbraw/zinc/20/50/81/1067205081.db2.gz GSMJRAMVTIJOSA-RDTXWAMCSA-N 1 0 398.304 3.886 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC ZINC001467727733 1067440090 /nfs/dbraw/zinc/44/00/90/1067440090.db2.gz PTYWMKIVAJNFKT-UHFFFAOYSA-N 1 0 391.519 3.698 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001468050946 1067580616 /nfs/dbraw/zinc/58/06/16/1067580616.db2.gz AKFQCFJFCBLMRM-OAQYLSRUSA-N 1 0 381.907 3.978 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CCc1cccc(C#N)c1 ZINC001468055151 1067581782 /nfs/dbraw/zinc/58/17/82/1067581782.db2.gz BURVNWMIEUQNLP-UHFFFAOYSA-N 1 0 378.520 3.784 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001358871041 1067588775 /nfs/dbraw/zinc/58/87/75/1067588775.db2.gz ZAFKSQCDXAJKBQ-NQIIRXRSSA-N 1 0 393.579 3.870 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001358880471 1067592431 /nfs/dbraw/zinc/59/24/31/1067592431.db2.gz MWTHQJXHTMSBRT-SFHVURJKSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358883332 1067594933 /nfs/dbraw/zinc/59/49/33/1067594933.db2.gz SOAGNFFFCHXAEI-YSIASYRMSA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCC[N@H+]1CCC ZINC001358893124 1067599814 /nfs/dbraw/zinc/59/98/14/1067599814.db2.gz OCUMOPPHGXDXPV-IFMALSPDSA-N 1 0 393.579 3.900 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001358895308 1067601824 /nfs/dbraw/zinc/60/18/24/1067601824.db2.gz GZFFXTGTXBGMEM-RBBKRZOGSA-N 1 0 393.579 3.643 20 30 GHEDRO C#CCCCCn1c(CC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001358913458 1067610131 /nfs/dbraw/zinc/61/01/31/1067610131.db2.gz OMFYXSMOQKIUPB-IBGZPJMESA-N 1 0 385.600 3.981 20 30 GHEDRO C#CCN(C)c1nnc(C(C)(C)C)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001358937962 1067620795 /nfs/dbraw/zinc/62/07/95/1067620795.db2.gz MGROACNKHREARR-TZIWHRDSSA-N 1 0 393.579 3.946 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)[NH+](CC)CC ZINC001358938552 1067621073 /nfs/dbraw/zinc/62/10/73/1067621073.db2.gz DLPYWDBQNLNMEO-UYAOXDASSA-N 1 0 397.567 3.835 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001358939571 1067621883 /nfs/dbraw/zinc/62/18/83/1067621883.db2.gz ZEYIRZWZIXOXHE-KRWDZBQOSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358940892 1067622580 /nfs/dbraw/zinc/62/25/80/1067622580.db2.gz QTPGINMMLMQEFG-IRXDYDNUSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001358951403 1067627504 /nfs/dbraw/zinc/62/75/04/1067627504.db2.gz VLSVNKLVBFVDRC-GOSISDBHSA-N 1 0 397.548 3.676 20 30 GHEDRO C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001358952113 1067628324 /nfs/dbraw/zinc/62/83/24/1067628324.db2.gz YIHYQJXKRPLXLY-QFIPXVFZSA-N 1 0 393.579 3.643 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)C)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358985363 1067635704 /nfs/dbraw/zinc/63/57/04/1067635704.db2.gz WZCQHRBNSJCWIA-LJQANCHMSA-N 1 0 395.576 3.763 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](C)CC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359000021 1067643473 /nfs/dbraw/zinc/64/34/73/1067643473.db2.gz KAFBBOAVDMWQTG-GOSISDBHSA-N 1 0 389.613 3.613 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359006142 1067647787 /nfs/dbraw/zinc/64/77/87/1067647787.db2.gz IZEVWYMVHACVSV-SFHVURJKSA-N 1 0 390.535 3.862 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001359111524 1067690906 /nfs/dbraw/zinc/69/09/06/1067690906.db2.gz DZBHFUXSEVRXLE-FQEVSTJZSA-N 1 0 383.540 3.869 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CC[NH+]1CCCCC1 ZINC001359114418 1067692758 /nfs/dbraw/zinc/69/27/58/1067692758.db2.gz KUSMRDNAVDBXIM-UHFFFAOYSA-N 1 0 385.531 3.896 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359118498 1067695901 /nfs/dbraw/zinc/69/59/01/1067695901.db2.gz MQDMIPVXRBXEIF-IBGZPJMESA-N 1 0 381.524 3.594 20 30 GHEDRO C=C(C)COCCn1c(C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001359127239 1067699253 /nfs/dbraw/zinc/69/92/53/1067699253.db2.gz LYTFDPSAHSYFBC-SIKLNZKXSA-N 1 0 397.567 3.669 20 30 GHEDRO C=C(Cl)Cn1c(COCC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359156639 1067715019 /nfs/dbraw/zinc/71/50/19/1067715019.db2.gz LXDLFBUZDBFESC-ZWKOTPCHSA-N 1 0 395.979 3.658 20 30 GHEDRO C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359203603 1067773720 /nfs/dbraw/zinc/77/37/20/1067773720.db2.gz RRYHTTFZZFNGIC-IBGZPJMESA-N 1 0 389.588 3.839 20 30 GHEDRO C=CCCOCCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001468603024 1067786737 /nfs/dbraw/zinc/78/67/37/1067786737.db2.gz ASSVNMPUASAVIB-LJQANCHMSA-N 1 0 379.932 3.586 20 30 GHEDRO C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359213134 1067787305 /nfs/dbraw/zinc/78/73/05/1067787305.db2.gz KLMWEZCEZQHCJR-UHFFFAOYSA-N 1 0 392.551 3.933 20 30 GHEDRO C=CCCCn1c(Cc2cccnc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359217849 1067794870 /nfs/dbraw/zinc/79/48/70/1067794870.db2.gz PCOKDCXCRFTJIT-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[NH+]1CCCCC1 ZINC001359233627 1067835761 /nfs/dbraw/zinc/83/57/61/1067835761.db2.gz LUJKMSLFPIBOPX-UHFFFAOYSA-N 1 0 391.466 3.655 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+](CC)C1CC1 ZINC001359236204 1067842374 /nfs/dbraw/zinc/84/23/74/1067842374.db2.gz CKDSFESISBEEMO-UHFFFAOYSA-N 1 0 376.508 3.600 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359241857 1067852781 /nfs/dbraw/zinc/85/27/81/1067852781.db2.gz GEJGOGAOBKJAPG-KRWDZBQOSA-N 1 0 385.943 3.629 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359242337 1067853233 /nfs/dbraw/zinc/85/32/33/1067853233.db2.gz ZCTJBXYSIBPJMB-SFHVURJKSA-N 1 0 383.471 3.526 20 30 GHEDRO C=CCN(C)c1nnc(Cc2csc(C)n2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359242536 1067854074 /nfs/dbraw/zinc/85/40/74/1067854074.db2.gz IWOSXLSWBOIPFL-MRXNPFEDSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)[NH+](CC)CC)C1CC1 ZINC001359248482 1067888571 /nfs/dbraw/zinc/88/85/71/1067888571.db2.gz QDXSPRBBSVBPAX-HNNXBMFYSA-N 1 0 388.947 3.879 20 30 GHEDRO C=CCN(c1nnc(C2CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C)C1CC1 ZINC001359249669 1067898128 /nfs/dbraw/zinc/89/81/28/1067898128.db2.gz LCRLNAQBGHFODP-HXUWFJFHSA-N 1 0 381.524 3.622 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCCC[C@H]1CC)C1CC1 ZINC001359250100 1067900279 /nfs/dbraw/zinc/90/02/79/1067900279.db2.gz BFWLJSASOTXRPG-UYAOXDASSA-N 1 0 387.572 3.939 20 30 GHEDRO C=CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC001359252321 1067904691 /nfs/dbraw/zinc/90/46/91/1067904691.db2.gz NDZCPZHHOKUMOJ-LJQANCHMSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@H](C1CC1)[NH+](C)C ZINC001359263172 1067925648 /nfs/dbraw/zinc/92/56/48/1067925648.db2.gz SCKMFDZYKNAZSA-LJQANCHMSA-N 1 0 396.564 3.868 20 30 GHEDRO C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001359280322 1067952001 /nfs/dbraw/zinc/95/20/01/1067952001.db2.gz MMWKZZKSALLNJA-IBGZPJMESA-N 1 0 397.567 3.624 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359286205 1067966289 /nfs/dbraw/zinc/96/62/89/1067966289.db2.gz VFGPKYKMAXHCQB-IRXDYDNUSA-N 1 0 378.524 3.542 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359470331 1068066793 /nfs/dbraw/zinc/06/67/93/1068066793.db2.gz VXNYJRDVXPMPBS-WMZOPIPTSA-N 1 0 394.548 3.905 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC[NH+]1CCCCC1 ZINC001359476921 1068071669 /nfs/dbraw/zinc/07/16/69/1068071669.db2.gz NUCLFMNWGYJXGG-HXUWFJFHSA-N 1 0 394.567 3.535 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCCC1 ZINC001359734579 1068162234 /nfs/dbraw/zinc/16/22/34/1068162234.db2.gz XJRHVPWZUAGRTA-OAQYLSRUSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C)[NH+](C)C ZINC001359766581 1068176230 /nfs/dbraw/zinc/17/62/30/1068176230.db2.gz PYTHIHKEZFGHPO-XLIONFOSSA-N 1 0 380.540 3.782 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCC2)CC1 ZINC001360305669 1068445281 /nfs/dbraw/zinc/44/52/81/1068445281.db2.gz ZIDNKEDBPVLFQW-UHFFFAOYSA-N 1 0 392.551 3.974 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C2CCC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001360477184 1068524105 /nfs/dbraw/zinc/52/41/05/1068524105.db2.gz WVQGHNWDXQQSHC-INIZCTEOSA-N 1 0 384.503 3.555 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CC1([NH+](C)C)CCCC1 ZINC001360479367 1068526039 /nfs/dbraw/zinc/52/60/39/1068526039.db2.gz VASDSJSAICHTSW-MRXNPFEDSA-N 1 0 386.569 3.543 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1)[NH+](C)C ZINC001360539949 1068550159 /nfs/dbraw/zinc/55/01/59/1068550159.db2.gz CHMOWRDFQWYNGK-QGZVFWFLSA-N 1 0 392.551 3.949 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001470238284 1068640627 /nfs/dbraw/zinc/64/06/27/1068640627.db2.gz VIXPOSGNDBOFEK-ZACQAIPSSA-N 1 0 386.323 3.629 20 30 GHEDRO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC001460174199 1068831933 /nfs/dbraw/zinc/83/19/33/1068831933.db2.gz XZTREKYBBQBPIU-HXUWFJFHSA-N 1 0 399.922 3.552 20 30 GHEDRO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC001460174178 1068833241 /nfs/dbraw/zinc/83/32/41/1068833241.db2.gz XZTREKYBBQBPIU-FQEVSTJZSA-N 1 0 399.922 3.552 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001460279360 1068903679 /nfs/dbraw/zinc/90/36/79/1068903679.db2.gz QXNVDMMPOABSFW-DNVCBOLYSA-N 1 0 381.439 3.788 20 30 GHEDRO CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC001460308907 1068918447 /nfs/dbraw/zinc/91/84/47/1068918447.db2.gz JZCWHSURPDKDNJ-UHFFFAOYSA-N 1 0 395.478 3.594 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001460438539 1068965533 /nfs/dbraw/zinc/96/55/33/1068965533.db2.gz FAFYNNTZDHTOKS-HXUWFJFHSA-N 1 0 387.524 3.904 20 30 GHEDRO CN(c1ccccc1)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001460528352 1068989307 /nfs/dbraw/zinc/98/93/07/1068989307.db2.gz YHKJTNPDXHBMEQ-LJQANCHMSA-N 1 0 382.895 3.751 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)sc2c1CCC2 ZINC001460616342 1069032961 /nfs/dbraw/zinc/03/29/61/1069032961.db2.gz UXPAZOZUTICYSW-NQIIRXRSSA-N 1 0 395.528 3.635 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)sc2c1CCC2 ZINC001460616337 1069033409 /nfs/dbraw/zinc/03/34/09/1069033409.db2.gz UXPAZOZUTICYSW-GHTZIAJQSA-N 1 0 395.528 3.635 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cccc4cccc2c43)cc1 ZINC001460816506 1069199061 /nfs/dbraw/zinc/19/90/61/1069199061.db2.gz LJWLDARQWYNELP-OAQYLSRUSA-N 1 0 376.481 3.762 20 30 GHEDRO C=C[C@@H](C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC001470451186 1072560661 /nfs/dbraw/zinc/56/06/61/1072560661.db2.gz FFEFTFIRVQWZLO-XZOQPEGZSA-N 1 0 393.531 3.871 20 30 GHEDRO C#CCN(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CC1 ZINC001470459146 1072566912 /nfs/dbraw/zinc/56/69/12/1072566912.db2.gz AEIKOGLGDISZHY-XZOQPEGZSA-N 1 0 391.490 3.601 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1 ZINC001478615803 1078935668 /nfs/dbraw/zinc/93/56/68/1078935668.db2.gz PODMVSOIFNZLCI-OAQYLSRUSA-N 1 0 379.504 3.634 20 30 GHEDRO C[C@]12CN(C(=O)c3cc(F)c(C#N)c(F)c3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001470774638 1072730585 /nfs/dbraw/zinc/73/05/85/1072730585.db2.gz BBVSHFTUFAZXEE-GOTSBHOMSA-N 1 0 395.453 3.821 20 30 GHEDRO CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC#CC[NH+](C)C ZINC001471035012 1072894510 /nfs/dbraw/zinc/89/45/10/1072894510.db2.gz KFEJXLPPDAWJCI-UHFFFAOYSA-N 1 0 394.302 3.896 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC001471938620 1073271248 /nfs/dbraw/zinc/27/12/48/1073271248.db2.gz SWCWJXGUMFBPJD-OAQYLSRUSA-N 1 0 382.891 3.674 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)c2ccc(C#N)c(Br)c2)c1 ZINC001472757605 1073653680 /nfs/dbraw/zinc/65/36/80/1073653680.db2.gz RVDGCBWZIJARTE-UHFFFAOYSA-N 1 0 388.309 3.898 20 30 GHEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473220395 1073869152 /nfs/dbraw/zinc/86/91/52/1073869152.db2.gz GUHNUEMRLKFDJN-NZQKXSOJSA-N 1 0 388.515 3.784 20 30 GHEDRO C#CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC ZINC001473454400 1073971452 /nfs/dbraw/zinc/97/14/52/1073971452.db2.gz QABQGYBVSYTQCY-MRXNPFEDSA-N 1 0 398.528 3.950 20 30 GHEDRO N#Cc1ccnc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1 ZINC001473505059 1073992716 /nfs/dbraw/zinc/99/27/16/1073992716.db2.gz NJDJCRVEENASFX-REWPJTCUSA-N 1 0 389.430 3.633 20 30 GHEDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001473529090 1074003924 /nfs/dbraw/zinc/00/39/24/1074003924.db2.gz QGNRZHGPIWYPDM-HXUWFJFHSA-N 1 0 391.899 3.594 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC001473594292 1074038251 /nfs/dbraw/zinc/03/82/51/1074038251.db2.gz XGAZMBPGEIYKIU-ZWKOTPCHSA-N 1 0 388.389 3.966 20 30 GHEDRO Cc1ccc(NC(=O)CC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1F ZINC001473653056 1074068271 /nfs/dbraw/zinc/06/82/71/1074068271.db2.gz DYXWYBWTRXRNPK-UHFFFAOYSA-N 1 0 381.451 3.630 20 30 GHEDRO N#Cc1ccccc1OCC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC001473666520 1074075243 /nfs/dbraw/zinc/07/52/43/1074075243.db2.gz PMWFAUWQNVRRLA-UHFFFAOYSA-N 1 0 380.492 3.932 20 30 GHEDRO C#CC[N@H+](C[C@@H]1CCC2(CCC2)CO1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473797730 1074146951 /nfs/dbraw/zinc/14/69/51/1074146951.db2.gz RSJNVCZYJWUQCC-IBGZPJMESA-N 1 0 376.541 3.670 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC001473797773 1074147159 /nfs/dbraw/zinc/14/71/59/1074147159.db2.gz SMOBOTNIAMFUMP-NZQKXSOJSA-N 1 0 399.535 3.705 20 30 GHEDRO CO[C@H](C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CCC1 ZINC001473847349 1074172847 /nfs/dbraw/zinc/17/28/47/1074172847.db2.gz AJFGPLBEXDYORP-GARJFASQSA-N 1 0 381.307 3.904 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC[C@H](C)N(C)C(=O)OC(C)(C)C)cc1OC ZINC001473995880 1074229884 /nfs/dbraw/zinc/22/98/84/1074229884.db2.gz MQODYCLFJXQOBA-INIZCTEOSA-N 1 0 378.513 3.995 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC001474019337 1074237367 /nfs/dbraw/zinc/23/73/67/1074237367.db2.gz WOTRLIVUCFXEKT-UHFFFAOYSA-N 1 0 398.816 3.860 20 30 GHEDRO COc1cc2[nH]c(CCC[NH2+]Cc3cc(C#N)ccc3N(C)C)cc2c(OC)c1 ZINC001474065551 1074252439 /nfs/dbraw/zinc/25/24/39/1074252439.db2.gz DZDLOOKVTHYECN-UHFFFAOYSA-N 1 0 392.503 3.845 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001474112465 1074267573 /nfs/dbraw/zinc/26/75/73/1074267573.db2.gz GPSMITBEEFUOSP-HXUWFJFHSA-N 1 0 398.934 3.733 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC001474244008 1074307473 /nfs/dbraw/zinc/30/74/73/1074307473.db2.gz BLYRBZIXOGJLEE-GOSISDBHSA-N 1 0 393.288 3.968 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1(C)C ZINC001493841827 1079302491 /nfs/dbraw/zinc/30/24/91/1079302491.db2.gz JFFTWKASWXACRI-QGZVFWFLSA-N 1 0 378.524 3.680 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001493844431 1079302528 /nfs/dbraw/zinc/30/25/28/1079302528.db2.gz HJLLRZURVQRCLO-GOSISDBHSA-N 1 0 394.567 3.859 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N(CCC#N)CC1CC1)[NH+]1CCC(C)CC1 ZINC001493866008 1079304950 /nfs/dbraw/zinc/30/49/50/1079304950.db2.gz MUPKRONVHKANDO-SFHVURJKSA-N 1 0 384.572 3.796 20 30 GHEDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C[C@@H]1C ZINC001475847957 1075033504 /nfs/dbraw/zinc/03/35/04/1075033504.db2.gz VVZMXNKDGGCEJF-BGYRXZFFSA-N 1 0 391.515 3.659 20 30 GHEDRO CCCN(C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)[C@H]1CC[N@H+](C)C1 ZINC001476200876 1075102903 /nfs/dbraw/zinc/10/29/03/1075102903.db2.gz DJQKYGUWOZMTTG-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1c1cc[nH+]cc1 ZINC001476211519 1075104123 /nfs/dbraw/zinc/10/41/23/1075104123.db2.gz LNCIBWRQUFLBGA-ZDUSSCGKSA-N 1 0 389.381 3.715 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001476223711 1075105806 /nfs/dbraw/zinc/10/58/06/1075105806.db2.gz DOIXEEKSNVIWBH-APWZRJJASA-N 1 0 381.451 3.622 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001476223714 1075106204 /nfs/dbraw/zinc/10/62/04/1075106204.db2.gz DOIXEEKSNVIWBH-VQIMIIECSA-N 1 0 381.451 3.622 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001496144608 1079458185 /nfs/dbraw/zinc/45/81/85/1079458185.db2.gz XGOZVUADDNXPQI-QFUCXCTJSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001496339245 1079465050 /nfs/dbraw/zinc/46/50/50/1079465050.db2.gz FLYAERKPMUZNST-DUXKGJEZSA-N 1 0 394.567 3.756 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CC#N ZINC001500530743 1079607461 /nfs/dbraw/zinc/60/74/61/1079607461.db2.gz HIBDJGAONBXLGE-OALUTQOASA-N 1 0 395.555 3.733 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC001656466772 1126257924 /nfs/dbraw/zinc/25/79/24/1126257924.db2.gz QDQIPEQPAMQWQU-FXAWDEMLSA-N 1 0 395.421 3.884 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCN2CC)cc1OC ZINC000022936679 570296989 /nfs/dbraw/zinc/29/69/89/570296989.db2.gz GVNQAXNGCRKULH-OAHLLOKOSA-N 1 0 383.330 3.596 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736756860 600594635 /nfs/dbraw/zinc/59/46/35/600594635.db2.gz WWJJWRXTKHWXSI-IEGUWTFLSA-N 1 0 391.515 3.952 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)c(F)c1 ZINC000822826440 607483029 /nfs/dbraw/zinc/48/30/29/607483029.db2.gz YNXGJNOEJVGMLH-UHFFFAOYSA-N 1 0 390.447 3.896 20 30 GHEDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(OCCCC#N)c1 ZINC000825317965 608547578 /nfs/dbraw/zinc/54/75/78/608547578.db2.gz FHVGUYUVWYLXBA-UHFFFAOYSA-N 1 0 390.491 3.961 20 30 GHEDRO N#CCC1CC[NH+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000826380489 609411043 /nfs/dbraw/zinc/41/10/43/609411043.db2.gz CDJRESZIUGFFNN-UHFFFAOYSA-N 1 0 388.475 3.571 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164627520 719046574 /nfs/dbraw/zinc/04/65/74/719046574.db2.gz VSUMGSDHWWVZPE-APWZRJJASA-N 1 0 388.849 3.735 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)ccc2CC#N)CC3)cs1 ZINC001164692684 719814639 /nfs/dbraw/zinc/81/46/39/719814639.db2.gz RATHBUCSSHUIHR-UHFFFAOYSA-N 1 0 381.549 3.856 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774375 721302311 /nfs/dbraw/zinc/30/23/11/721302311.db2.gz AXQKWPZNCYDVNE-UHFFFAOYSA-N 1 0 395.894 3.716 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C#N)cc(Cl)n3)C[C@H]21 ZINC001165023351 721798148 /nfs/dbraw/zinc/79/81/48/721798148.db2.gz JPUBCMBUOBFJRM-BHIYHBOVSA-N 1 0 381.911 3.739 20 30 GHEDRO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000580738279 837391577 /nfs/dbraw/zinc/39/15/77/837391577.db2.gz FMRRXJMTTNGACA-IRXDYDNUSA-N 1 0 399.922 3.926 20 30 GHEDRO CC(C)(C)C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000580916623 837427766 /nfs/dbraw/zinc/42/77/66/837427766.db2.gz XSXYYIFBQJECOW-SFHVURJKSA-N 1 0 389.496 3.633 20 30 GHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000581246200 837487664 /nfs/dbraw/zinc/48/76/64/837487664.db2.gz LKNZAIDRDUJILR-RDTXWAMCSA-N 1 0 378.394 3.538 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CC2)c1 ZINC000581658543 837576973 /nfs/dbraw/zinc/57/69/73/837576973.db2.gz WABCFGAXXDKVEB-UHFFFAOYSA-N 1 0 383.511 3.891 20 30 GHEDRO CC[N@H+](CC(=O)NCCc1nc2ccccc2s1)[C@H](C)c1ccc(C#N)cc1 ZINC000173222203 837587113 /nfs/dbraw/zinc/58/71/13/837587113.db2.gz RFMWRZXUHFJKIX-MRXNPFEDSA-N 1 0 392.528 3.910 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1cnc2ccc(C#N)cn12 ZINC000180880830 837607518 /nfs/dbraw/zinc/60/75/18/837607518.db2.gz UWTMDUXGKHAZIK-UHFFFAOYSA-N 1 0 377.517 3.675 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)ccc21 ZINC000581868472 837737041 /nfs/dbraw/zinc/73/70/41/837737041.db2.gz VUNOMYSUCSGZEI-UWJYYQICSA-N 1 0 392.478 3.711 20 30 GHEDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000577575991 834542770 /nfs/dbraw/zinc/54/27/70/834542770.db2.gz AMQMDTPMDGEUMV-QRVBRYPASA-N 1 0 381.499 3.716 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565048772 834623328 /nfs/dbraw/zinc/62/33/28/834623328.db2.gz MNVLSNODBIHDMO-RBUKOAKNSA-N 1 0 377.598 3.623 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000186891349 834740382 /nfs/dbraw/zinc/74/03/82/834740382.db2.gz BHNTYDGKVRGNDO-XMMPIXPASA-N 1 0 391.515 3.588 20 30 GHEDRO CC[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccc2c(c1)OCCO2 ZINC000329832288 834822317 /nfs/dbraw/zinc/82/23/17/834822317.db2.gz TWLMXIFSCZEBIA-QYZOEREBSA-N 1 0 387.524 3.770 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000047010355 834863221 /nfs/dbraw/zinc/86/32/21/834863221.db2.gz BYJXJCKCOUBISB-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000583701130 834895708 /nfs/dbraw/zinc/89/57/08/834895708.db2.gz DIBLKUUKQGQXMS-PZJWPPBQSA-N 1 0 376.504 3.823 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1cccc(C)c1 ZINC000274747317 834961421 /nfs/dbraw/zinc/96/14/21/834961421.db2.gz GVFHOZMBEZMVJZ-UHFFFAOYSA-O 1 0 385.509 3.728 20 30 GHEDRO C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548811723 835052912 /nfs/dbraw/zinc/05/29/12/835052912.db2.gz GYNHYMJKLUNUKU-NQIIRXRSSA-N 1 0 388.515 3.757 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000278440348 835095873 /nfs/dbraw/zinc/09/58/73/835095873.db2.gz LLVNICQTUFCILL-IBGZPJMESA-N 1 0 379.932 3.709 20 30 GHEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000685533457 835126519 /nfs/dbraw/zinc/12/65/19/835126519.db2.gz SMEWQDBBDPZXQA-OAQYLSRUSA-N 1 0 387.531 3.881 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1OCC ZINC000152800686 835135310 /nfs/dbraw/zinc/13/53/10/835135310.db2.gz WIKNZJJCSSBCEE-BMFZPTHFSA-N 1 0 382.298 3.822 20 30 GHEDRO COc1ccc(CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc2)cc1 ZINC000064807310 835149386 /nfs/dbraw/zinc/14/93/86/835149386.db2.gz LGBIAWREXCMCDA-DEOSSOPVSA-N 1 0 393.531 3.794 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000685549296 835154443 /nfs/dbraw/zinc/15/44/43/835154443.db2.gz APYJQAZIMHVEAI-VNYTWHDVSA-N 1 0 395.551 3.661 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892406937 835170467 /nfs/dbraw/zinc/17/04/67/835170467.db2.gz SEEMPPPRCNVEEV-NRFANRHFSA-N 1 0 383.540 3.512 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccc(F)c(F)c2F)c(-c2ccncc2)n1 ZINC000433325726 844026398 /nfs/dbraw/zinc/02/63/98/844026398.db2.gz HPHGIGDPKJSAIX-UHFFFAOYSA-N 1 0 385.393 3.608 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(-c2ccccc2)n1 ZINC000433344547 844030087 /nfs/dbraw/zinc/03/00/87/844030087.db2.gz SJKGLEHVGSQXMN-UHFFFAOYSA-N 1 0 397.486 3.549 20 30 GHEDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCC1CCOCC1 ZINC000329559392 835248244 /nfs/dbraw/zinc/24/82/44/835248244.db2.gz IJGZJIPGKVDAMZ-UXHICEINSA-N 1 0 387.524 3.562 20 30 GHEDRO CCC(CC)n1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C ZINC000179270490 835416366 /nfs/dbraw/zinc/41/63/66/835416366.db2.gz ORYWDLCRMHQOCE-UHFFFAOYSA-N 1 0 381.524 3.628 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248146120 835420488 /nfs/dbraw/zinc/42/04/88/835420488.db2.gz QFBOKFZJGWCFKK-WMLDXEAASA-N 1 0 382.426 3.827 20 30 GHEDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329621444 835440713 /nfs/dbraw/zinc/44/07/13/835440713.db2.gz UKNMNQBKFLWIER-IEBWSBKVSA-N 1 0 386.536 3.963 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@@H]1C ZINC000161993645 835485179 /nfs/dbraw/zinc/48/51/79/835485179.db2.gz PSMOTAKUWSNMHY-UIOONULUSA-N 1 0 385.508 3.601 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC3(CCC[N@H+]3C)CC2)c1C#N ZINC000612117418 835538627 /nfs/dbraw/zinc/53/86/27/835538627.db2.gz LDJAHAGGIQOBEZ-UHFFFAOYSA-N 1 0 397.567 3.590 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000458790227 835546279 /nfs/dbraw/zinc/54/62/79/835546279.db2.gz ZVYOKHYFLHFDAQ-UHFFFAOYSA-N 1 0 399.457 3.810 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc([C@@H]3C[NH2+]C[C@@H]3OC(C)=O)n2)cc1 ZINC001211728875 844063342 /nfs/dbraw/zinc/06/33/42/844063342.db2.gz OXFOTOBPILQLIL-MOPGFXCFSA-N 1 0 387.480 3.704 20 30 GHEDRO CCO[C@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCC1 ZINC000278634951 835658154 /nfs/dbraw/zinc/65/81/54/835658154.db2.gz KZSSHAFRBXVEIF-OAQYLSRUSA-N 1 0 381.524 3.934 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccc(C#N)cc1 ZINC000052825823 835685971 /nfs/dbraw/zinc/68/59/71/835685971.db2.gz WJUJCHVXVIOSKI-UHFFFAOYSA-N 1 0 396.447 3.716 20 30 GHEDRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1 ZINC000655435018 835883793 /nfs/dbraw/zinc/88/37/93/835883793.db2.gz NFNDEAAWTQMKHK-OAQYLSRUSA-N 1 0 383.536 3.718 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000179702319 835950886 /nfs/dbraw/zinc/95/08/86/835950886.db2.gz VIBPPVNOMTXBEG-FGZHOGPDSA-N 1 0 397.567 3.668 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)c1cccc(C(=O)c2ccccc2)c1 ZINC000535624665 835955490 /nfs/dbraw/zinc/95/54/90/835955490.db2.gz YOZABPYZVDNNKB-IBGZPJMESA-N 1 0 391.515 3.715 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000573214646 835962645 /nfs/dbraw/zinc/96/26/45/835962645.db2.gz MGFBJRHFDVFRFV-TZIWHRDSSA-N 1 0 382.895 3.575 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[C@H](C)C1 ZINC000471240646 836206459 /nfs/dbraw/zinc/20/64/59/836206459.db2.gz AIEFUFKNLABGQA-IERDGZPVSA-N 1 0 399.583 3.692 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000375918497 836208118 /nfs/dbraw/zinc/20/81/18/836208118.db2.gz GJPVLQPWMUYRBO-PGRDOPGGSA-N 1 0 386.499 3.582 20 30 GHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000582091888 836244924 /nfs/dbraw/zinc/24/49/24/836244924.db2.gz PGVPCQNOPVZHSR-ZDUSSCGKSA-N 1 0 386.418 3.741 20 30 GHEDRO CCOc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)[nH]c2c1 ZINC000065930354 836251504 /nfs/dbraw/zinc/25/15/04/836251504.db2.gz XOLIOLAKELCDPK-UHFFFAOYSA-N 1 0 390.487 3.642 20 30 GHEDRO C[C@H](Oc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930619 836252556 /nfs/dbraw/zinc/25/25/56/836252556.db2.gz RMFSBODHPFBTIR-INIZCTEOSA-N 1 0 385.895 3.569 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000065930972 836253387 /nfs/dbraw/zinc/25/33/87/836253387.db2.gz HLROUCHNMZQQGO-UHFFFAOYSA-N 1 0 393.531 3.825 20 30 GHEDRO Cc1cccc(CSCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930055 836254502 /nfs/dbraw/zinc/25/45/02/836254502.db2.gz LLYWKLAFVGGDON-UHFFFAOYSA-N 1 0 381.545 3.690 20 30 GHEDRO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043151576 836301771 /nfs/dbraw/zinc/30/17/71/836301771.db2.gz NRNGOSXCTCZWED-UHFFFAOYSA-N 1 0 378.476 3.697 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000177327840 836342565 /nfs/dbraw/zinc/34/25/65/836342565.db2.gz CEQZNDBXBNOUDQ-UHFFFAOYSA-N 1 0 378.520 3.605 20 30 GHEDRO C[C@@H]1CN(c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)CCO1 ZINC000179954770 836464152 /nfs/dbraw/zinc/46/41/52/836464152.db2.gz NDCBEGGLIDFHSQ-LJQANCHMSA-N 1 0 390.531 3.860 20 30 GHEDRO N#Cc1cccc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1F ZINC000452017474 836627149 /nfs/dbraw/zinc/62/71/49/836627149.db2.gz AVJDZYPMPPZBFI-ZWKOTPCHSA-N 1 0 377.385 3.817 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413898464 836689378 /nfs/dbraw/zinc/68/93/78/836689378.db2.gz GRPIHRGOQQNZAW-NRFANRHFSA-N 1 0 399.466 3.680 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510191336 836715877 /nfs/dbraw/zinc/71/58/77/836715877.db2.gz ILBMSNOVMHHVGM-DYXWJJEUSA-N 1 0 391.515 3.742 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180230999 836767539 /nfs/dbraw/zinc/76/75/39/836767539.db2.gz IXZRYEZDCFAJGR-UHFFFAOYSA-N 1 0 377.488 3.993 20 30 GHEDRO N#Cc1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000430372374 836847264 /nfs/dbraw/zinc/84/72/64/836847264.db2.gz ZLAOVYIGZOYZDV-UHFFFAOYSA-N 1 0 382.895 3.753 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C)C1 ZINC000610782393 844208030 /nfs/dbraw/zinc/20/80/30/844208030.db2.gz FBEYXBGJYLDAPT-OXQOHEQNSA-N 1 0 393.491 3.940 20 30 GHEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000413940146 836862300 /nfs/dbraw/zinc/86/23/00/836862300.db2.gz ROIXXACZHWFFEB-UHFFFAOYSA-N 1 0 395.503 3.715 20 30 GHEDRO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCC1CCOCC1 ZINC000120528635 844214558 /nfs/dbraw/zinc/21/45/58/844214558.db2.gz KLPXUIXWHLBBHY-UHFFFAOYSA-N 1 0 389.565 3.966 20 30 GHEDRO Cn1cc(C[NH2+]CCc2nccn2Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180047737 836916570 /nfs/dbraw/zinc/91/65/70/836916570.db2.gz JQJLDXWQPMBGKT-UHFFFAOYSA-N 1 0 396.498 3.536 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(N(C)C)cc1 ZINC000027317683 837042559 /nfs/dbraw/zinc/04/25/59/837042559.db2.gz ALONVHVEZMMHRM-UHFFFAOYSA-O 1 0 396.580 3.857 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C)cc1 ZINC000027480460 837053135 /nfs/dbraw/zinc/05/31/35/837053135.db2.gz VXSRFLAMJSSZAU-UHFFFAOYSA-O 1 0 395.520 3.842 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)CSCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000134942070 837126376 /nfs/dbraw/zinc/12/63/76/837126376.db2.gz CHHGOJBFIVLKIN-DYESRHJHSA-N 1 0 379.529 3.571 20 30 GHEDRO C=CCOc1cccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)c(F)c2)c1 ZINC000658988313 837132735 /nfs/dbraw/zinc/13/27/35/837132735.db2.gz ALACBXWKVAOOSR-ICSRJNTNSA-N 1 0 399.466 3.666 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066676041 837197879 /nfs/dbraw/zinc/19/78/79/837197879.db2.gz OCCAPRQTQCGXSZ-IBGZPJMESA-N 1 0 391.515 3.696 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](CC)Oc2cccc(C(F)(F)F)c2)CC1 ZINC000431742622 837266971 /nfs/dbraw/zinc/26/69/71/837266971.db2.gz MBXYYWQGOQHIDN-QGZVFWFLSA-N 1 0 399.457 3.812 20 30 GHEDRO COC(=O)c1ccc(NCc2ccccc2C[NH+]2CCC(C)CC2)c(C#N)n1 ZINC000580581986 837370893 /nfs/dbraw/zinc/37/08/93/837370893.db2.gz POLBAJKGZKUJEO-UHFFFAOYSA-N 1 0 378.476 3.584 20 30 GHEDRO N#CCC1(C[NH2+]C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000579947782 837956761 /nfs/dbraw/zinc/95/67/61/837956761.db2.gz FAQQMZCBNHZGCO-FQEVSTJZSA-N 1 0 386.442 3.715 20 30 GHEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000177481787 837963231 /nfs/dbraw/zinc/96/32/31/837963231.db2.gz VLHMQYHXIKZFNH-SFTDATJTSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(N2CCCC2=O)cc1 ZINC000181363732 838016445 /nfs/dbraw/zinc/01/64/45/838016445.db2.gz GMXQDFHAVXAMDK-CQSZACIVSA-N 1 0 396.878 3.628 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3ccc(C#N)s3)CC2)c1C ZINC000290379427 838159397 /nfs/dbraw/zinc/15/93/97/838159397.db2.gz HZCSFRCPSDJLJJ-UHFFFAOYSA-N 1 0 384.549 3.737 20 30 GHEDRO [NH2+]=C(NCCCSc1nccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC000178576624 838198188 /nfs/dbraw/zinc/19/81/88/838198188.db2.gz MNVZGWAARIGHIF-UHFFFAOYSA-N 1 0 390.456 3.628 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(C#N)c1C ZINC000181385609 838203288 /nfs/dbraw/zinc/20/32/88/838203288.db2.gz LEYYDORVRPBYRL-CABCVRRESA-N 1 0 394.475 3.573 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)c(C)c1 ZINC000189638385 838335844 /nfs/dbraw/zinc/33/58/44/838335844.db2.gz OTXOUILUFRATQV-QHCPKHFHSA-N 1 0 391.515 3.643 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)c(C)c1 ZINC000189638404 838335968 /nfs/dbraw/zinc/33/59/68/838335968.db2.gz OTXOUILUFRATQV-HSZRJFAPSA-N 1 0 391.515 3.643 20 30 GHEDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728269296 838363634 /nfs/dbraw/zinc/36/36/34/838363634.db2.gz GZWAMUCRYGVUEG-IAGOWNOFSA-N 1 0 378.520 3.816 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187842079 838365141 /nfs/dbraw/zinc/36/51/41/838365141.db2.gz VTKRDEZULDEUHS-UHFFFAOYSA-N 1 0 397.441 3.558 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000122811441 838368895 /nfs/dbraw/zinc/36/88/95/838368895.db2.gz JCEYEHRXNIJAKF-UHFFFAOYSA-N 1 0 377.517 3.718 20 30 GHEDRO Cc1cccc2nc(C3CC[NH+](C[C@H](O)COc4ccc(C#N)cc4)CC3)oc21 ZINC000189810833 838419305 /nfs/dbraw/zinc/41/93/05/838419305.db2.gz KWOGUJNYOKLURU-IBGZPJMESA-N 1 0 391.471 3.627 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC000376617980 838593162 /nfs/dbraw/zinc/59/31/62/838593162.db2.gz KEFWCUYRRAJYHK-OAHLLOKOSA-N 1 0 391.313 3.516 20 30 GHEDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(C#N)c1 ZINC000610352705 838640740 /nfs/dbraw/zinc/64/07/40/838640740.db2.gz MIQYXQZTURQRPQ-SJLPKXTDSA-N 1 0 382.533 3.892 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cccc(OC)c1)C(=S)NCC(F)(F)F ZINC000170637258 838695698 /nfs/dbraw/zinc/69/56/98/838695698.db2.gz ZZVCUMLVQVICEN-UHFFFAOYSA-O 1 0 397.442 3.636 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3CCC(C[NH+]4CCCCCC4)CC3)o2)c1 ZINC000610367564 838726155 /nfs/dbraw/zinc/72/61/55/838726155.db2.gz ZRHCWSWPJYMYFT-UHFFFAOYSA-N 1 0 379.508 3.696 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000415012611 839056603 /nfs/dbraw/zinc/05/66/03/839056603.db2.gz SVGDWCCDRKQLSH-FFZOFVMBSA-N 1 0 376.460 3.942 20 30 GHEDRO COc1ccc(OC(F)F)c(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000580259304 839141877 /nfs/dbraw/zinc/14/18/77/839141877.db2.gz CATDRNXWZPMBMX-UHFFFAOYSA-N 1 0 389.446 3.732 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000415083760 839171979 /nfs/dbraw/zinc/17/19/79/839171979.db2.gz NRQZKFFWAVCPOL-QGZVFWFLSA-N 1 0 382.464 3.854 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415082432 839176740 /nfs/dbraw/zinc/17/67/40/839176740.db2.gz LSMMLWAQWQENIE-LPHOPBHVSA-N 1 0 394.475 3.998 20 30 GHEDRO O=C(NCC1CC[NH2+]CC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658926898 839180763 /nfs/dbraw/zinc/18/07/63/839180763.db2.gz NVEDAFFXSXTCSF-UHFFFAOYSA-N 1 0 386.311 3.705 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415089707 839181968 /nfs/dbraw/zinc/18/19/68/839181968.db2.gz WNZVXVUUMBSMOE-IVZQSRNASA-N 1 0 394.475 3.808 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415084606 839182809 /nfs/dbraw/zinc/18/28/09/839182809.db2.gz PAIOLNXEDBNGQR-DOTOQJQBSA-N 1 0 394.475 3.808 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000415086934 839186901 /nfs/dbraw/zinc/18/69/01/839186901.db2.gz SGQPEZIKXAAFDV-FQEVSTJZSA-N 1 0 394.475 3.869 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378483106 839195627 /nfs/dbraw/zinc/19/56/27/839195627.db2.gz OIWIMBNZOZXGJM-WOJBJXKFSA-N 1 0 395.453 3.743 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415115436 839225599 /nfs/dbraw/zinc/22/55/99/839225599.db2.gz DSQRFZCDOXTRRE-OALUTQOASA-N 1 0 378.476 3.837 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415118684 839231392 /nfs/dbraw/zinc/23/13/92/839231392.db2.gz HFBHAJKOQPIKGK-LPHOPBHVSA-N 1 0 378.476 3.647 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000415120736 839240114 /nfs/dbraw/zinc/24/01/14/839240114.db2.gz JKKROLYYJIAGBY-LJQANCHMSA-N 1 0 378.476 3.791 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415121268 839241407 /nfs/dbraw/zinc/24/14/07/839241407.db2.gz JPYXHBCFSBYUIC-QFBILLFUSA-N 1 0 378.476 3.647 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415154461 839287656 /nfs/dbraw/zinc/28/76/56/839287656.db2.gz DRBFDYXKIAMMKP-INIZCTEOSA-N 1 0 383.521 3.777 20 30 GHEDRO CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000610433418 839315130 /nfs/dbraw/zinc/31/51/30/839315130.db2.gz IXNMCFXLSMVGRA-HXUWFJFHSA-N 1 0 396.922 3.747 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCCC3(CC3)C2)c1C#N ZINC000473431981 844425610 /nfs/dbraw/zinc/42/56/10/844425610.db2.gz DOVCHKGMCRYSKQ-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000614400877 844431017 /nfs/dbraw/zinc/43/10/17/844431017.db2.gz LYKRRZPAPUPRSF-SFHVURJKSA-N 1 0 378.394 3.757 20 30 GHEDRO C[C@@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000074917906 839428419 /nfs/dbraw/zinc/42/84/19/839428419.db2.gz KEPUHUBGMIHQPP-LJQANCHMSA-N 1 0 378.520 3.825 20 30 GHEDRO C[C@@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894064688 844453177 /nfs/dbraw/zinc/45/31/77/844453177.db2.gz VKKVZOZGXZSRHW-APWZRJJASA-N 1 0 382.533 3.672 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnnn1-c1c(Cl)cccc1Cl ZINC000330128523 839719324 /nfs/dbraw/zinc/71/93/24/839719324.db2.gz NRPUWIVHNKHNIU-KGLIPLIRSA-N 1 0 380.279 3.506 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnnn1-c1c(Cl)cccc1Cl ZINC000330128526 839719471 /nfs/dbraw/zinc/71/94/71/839719471.db2.gz NRPUWIVHNKHNIU-ZIAGYGMSSA-N 1 0 380.279 3.506 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCC(=O)NC2(C)C)c2ccccc2)CC1 ZINC000328746435 839768525 /nfs/dbraw/zinc/76/85/25/839768525.db2.gz ORIJNOXYXVUZAC-RTBURBONSA-N 1 0 386.540 3.861 20 30 GHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549288608 839839009 /nfs/dbraw/zinc/83/90/09/839839009.db2.gz YVCZJLYCXAOMRA-QGZVFWFLSA-N 1 0 398.511 3.598 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000126001421 839859057 /nfs/dbraw/zinc/85/90/57/839859057.db2.gz OEXYZIQQFBBUBG-YOEHRIQHSA-N 1 0 394.393 3.742 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NCc3ccn4ccnc4c3)cc2)ccn1 ZINC000580647228 839944609 /nfs/dbraw/zinc/94/46/09/839944609.db2.gz SEDAEEMZFSMZQK-UHFFFAOYSA-N 1 0 384.399 3.715 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc1 ZINC000053721049 840355467 /nfs/dbraw/zinc/35/54/67/840355467.db2.gz VVGIWPHYBQUZMB-UHFFFAOYSA-N 1 0 383.495 3.988 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3nc(C)cc(C)c3C#N)CC2)c1 ZINC000513129899 844534737 /nfs/dbraw/zinc/53/47/37/844534737.db2.gz ODSDHPBUCRRZTA-UHFFFAOYSA-N 1 0 377.536 3.893 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186588899 840446320 /nfs/dbraw/zinc/44/63/20/840446320.db2.gz HLKOYCCRCZRLLM-UHFFFAOYSA-N 1 0 381.495 3.745 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000110780694 840605693 /nfs/dbraw/zinc/60/56/93/840605693.db2.gz DQCWJEUWMBHHKP-QHCPKHFHSA-N 1 0 393.506 3.894 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000584710591 840634114 /nfs/dbraw/zinc/63/41/14/840634114.db2.gz FHHAZNQXUPBYTO-RXVVDRJESA-N 1 0 379.552 3.906 20 30 GHEDRO COCCC1(c2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)CC[NH2+]CC1 ZINC001211509240 840758450 /nfs/dbraw/zinc/75/84/50/840758450.db2.gz HQUAXGSQKUBKQF-UHFFFAOYSA-N 1 0 381.263 3.573 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417374724 840772617 /nfs/dbraw/zinc/77/26/17/840772617.db2.gz YNLMTQMCUWHMMQ-BTYIYWSLSA-N 1 0 391.471 3.729 20 30 GHEDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC001125966237 840861477 /nfs/dbraw/zinc/86/14/77/840861477.db2.gz IYWZPZDEPAYLMX-NHCUHLMSSA-N 1 0 379.479 3.862 20 30 GHEDRO Cc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000364126510 840885058 /nfs/dbraw/zinc/88/50/58/840885058.db2.gz WSQFIKJYKRKJDS-UHFFFAOYSA-N 1 0 376.504 3.921 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](CC)c2ccc(I)cc2)CC1 ZINC000610812108 844592383 /nfs/dbraw/zinc/59/23/83/844592383.db2.gz BOTMZHMTVLTDOE-QGZVFWFLSA-N 1 0 384.305 3.982 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549476454 841087293 /nfs/dbraw/zinc/08/72/93/841087293.db2.gz KGRRYPNIZMLCQY-BOUXLOLZSA-N 1 0 397.485 3.642 20 30 GHEDRO C=CCC[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000660937332 841284228 /nfs/dbraw/zinc/28/42/28/841284228.db2.gz GUTAEKSBKYHKCG-JOCHJYFZSA-N 1 0 385.552 3.884 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1Cl ZINC000510418541 841309140 /nfs/dbraw/zinc/30/91/40/841309140.db2.gz XJPFBUCUZNPMCQ-SFHVURJKSA-N 1 0 393.878 3.837 20 30 GHEDRO Cc1cnc([C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000175893864 841334831 /nfs/dbraw/zinc/33/48/31/841334831.db2.gz YUVWMIHJOPENQR-LJQANCHMSA-N 1 0 397.548 3.548 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1C#N ZINC000135180754 841359271 /nfs/dbraw/zinc/35/92/71/841359271.db2.gz GNCUIJNUIPKBIY-LJQANCHMSA-N 1 0 392.503 3.909 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000661117567 841420915 /nfs/dbraw/zinc/42/09/15/841420915.db2.gz SBYCORDWCPLJNP-FXAWDEMLSA-N 1 0 378.538 3.533 20 30 GHEDRO O=C(Nc1ccnc(OCC(F)(F)F)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000329248988 861201765 /nfs/dbraw/zinc/20/17/65/861201765.db2.gz WWQWXPUSZWQMIZ-CZUORRHYSA-N 1 0 398.429 3.517 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](O)C(C)(C)C2)C1 ZINC000329255405 861209004 /nfs/dbraw/zinc/20/90/04/861209004.db2.gz XGOBGHMNYFDREM-LVCYWYKZSA-N 1 0 387.568 3.671 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418135649 841547477 /nfs/dbraw/zinc/54/74/77/841547477.db2.gz BFWLTGSHEFTKLW-GFCCVEGCSA-N 1 0 377.510 3.542 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)cc1 ZINC000500172237 841570441 /nfs/dbraw/zinc/57/04/41/841570441.db2.gz PWKYSXSDLAZUMV-LJQANCHMSA-N 1 0 388.870 3.912 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[NH+](C4CCCC4)CC3)cc2)ccn1 ZINC000581578199 841706473 /nfs/dbraw/zinc/70/64/73/841706473.db2.gz PSMWCOWOEKLZTM-UHFFFAOYSA-N 1 0 391.475 3.838 20 30 GHEDRO C=CC[C@]1(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CCC[NH2+]1 ZINC000662822658 841709343 /nfs/dbraw/zinc/70/93/43/841709343.db2.gz MLUHZGPNADEEKA-LJQANCHMSA-N 1 0 375.925 3.821 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1 ZINC000027480397 841718938 /nfs/dbraw/zinc/71/89/38/841718938.db2.gz VXWOJGZTATYNIH-UHFFFAOYSA-O 1 0 381.493 3.534 20 30 GHEDRO CC[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000329277952 861233246 /nfs/dbraw/zinc/23/32/46/861233246.db2.gz KZJKWIHWHDTRAI-RTWAWAEBSA-N 1 0 381.524 3.688 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC000603828942 861242499 /nfs/dbraw/zinc/24/24/99/861242499.db2.gz FWMBNSBGEYEKAE-UHFFFAOYSA-N 1 0 391.475 3.741 20 30 GHEDRO COc1cc(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)ccc1C#N ZINC000581637080 841848333 /nfs/dbraw/zinc/84/83/33/841848333.db2.gz DVTUZJFLOCPWOS-UHFFFAOYSA-N 1 0 385.265 3.575 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C[NH+]1CCCCC1 ZINC000603831198 861244136 /nfs/dbraw/zinc/24/41/36/861244136.db2.gz VSOCZBBSMNCRLE-QGZVFWFLSA-N 1 0 393.491 3.989 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC/C=C\c2ccc(Br)cc2)CC1 ZINC000623635045 861257696 /nfs/dbraw/zinc/25/76/96/861257696.db2.gz PZDFSIIXAXGMNM-HYXAFXHYSA-N 1 0 392.341 3.802 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(NC(=O)CSc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000121428108 841966561 /nfs/dbraw/zinc/96/65/61/841966561.db2.gz UTWQDQFBGJTZMY-IAGOWNOFSA-N 1 0 395.528 3.898 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCC/C=C/c2ccc(Br)cc2)CC1 ZINC000623635044 861258404 /nfs/dbraw/zinc/25/84/04/861258404.db2.gz PZDFSIIXAXGMNM-HWKANZROSA-N 1 0 392.341 3.802 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000596574867 842140538 /nfs/dbraw/zinc/14/05/38/842140538.db2.gz NPSORNIVGDBLPM-RHSMWYFYSA-N 1 0 382.430 3.643 20 30 GHEDRO Cn1ccnc1Sc1ncc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000328815053 842156567 /nfs/dbraw/zinc/15/65/67/842156567.db2.gz PJYBNTLVYODTLG-UHFFFAOYSA-N 1 0 391.928 3.551 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)CCCC1 ZINC000661849036 842229020 /nfs/dbraw/zinc/22/90/20/842229020.db2.gz QXZMLXDRGPKFMC-MRXNPFEDSA-N 1 0 395.425 3.771 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661863404 842248075 /nfs/dbraw/zinc/24/80/75/842248075.db2.gz HNVFUYHEXBONJS-YLJYHZDGSA-N 1 0 376.566 3.932 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329326041 861287977 /nfs/dbraw/zinc/28/79/77/861287977.db2.gz TZBJZXCGKYTISR-MRXNPFEDSA-N 1 0 392.931 3.753 20 30 GHEDRO CC1(C)[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1Oc1ccccc1 ZINC000585764908 842276111 /nfs/dbraw/zinc/27/61/11/842276111.db2.gz ZRVZGAFCGCVLCD-SFTDATJTSA-N 1 0 376.504 3.758 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccc(C#N)cc1F ZINC000178171351 842303443 /nfs/dbraw/zinc/30/34/43/842303443.db2.gz UOIYSGMVGDEHSO-IAGOWNOFSA-N 1 0 394.494 3.653 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 ZINC000329336840 861298570 /nfs/dbraw/zinc/29/85/70/861298570.db2.gz MCLQFGNRJZORFU-RLLQIKCJSA-N 1 0 385.556 3.873 20 30 GHEDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000891570035 842343162 /nfs/dbraw/zinc/34/31/62/842343162.db2.gz REAURTVGXJFVRZ-LJQANCHMSA-N 1 0 379.504 3.732 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)CC1 ZINC000276668583 842443121 /nfs/dbraw/zinc/44/31/21/842443121.db2.gz VFQBFJIBXKNCCA-NRFANRHFSA-N 1 0 394.494 3.615 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)no1 ZINC000329349592 861312691 /nfs/dbraw/zinc/31/26/91/861312691.db2.gz DBHFIRKICAQTNC-NXEWRWPSSA-N 1 0 395.507 3.625 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCOC2(CCSCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329352075 861315711 /nfs/dbraw/zinc/31/57/11/861315711.db2.gz ULQIPLONQTTXND-RCCFBDPRSA-N 1 0 395.613 3.588 20 30 GHEDRO CN(C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000329354395 861319123 /nfs/dbraw/zinc/31/91/23/861319123.db2.gz GKGBSKKGOBMWKY-MHJFOBGBSA-N 1 0 375.557 3.635 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000050090463 842511830 /nfs/dbraw/zinc/51/18/30/842511830.db2.gz GKUPLXROEUHIMF-UHFFFAOYSA-N 1 0 386.883 3.816 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000328848807 842614786 /nfs/dbraw/zinc/61/47/86/842614786.db2.gz REQMQRWBJMIRRI-KRWDZBQOSA-N 1 0 381.476 3.647 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)CCOCC1 ZINC000599411806 842726885 /nfs/dbraw/zinc/72/68/85/842726885.db2.gz FEDGGVPAQLSKCK-GOSISDBHSA-N 1 0 380.891 3.762 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]C3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cnc12 ZINC000603893152 861339566 /nfs/dbraw/zinc/33/95/66/861339566.db2.gz MNDZOOGTUJYVRV-RYUDHWBXSA-N 1 0 391.319 3.600 20 30 GHEDRO Cc1cc(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)ccc1Br ZINC000188196638 842743738 /nfs/dbraw/zinc/74/37/38/842743738.db2.gz FODLNQCAOTYTPU-UHFFFAOYSA-N 1 0 392.341 3.699 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549634079 842776165 /nfs/dbraw/zinc/77/61/65/842776165.db2.gz IWMGZGWYKZRZBB-FQEVSTJZSA-N 1 0 390.535 3.705 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000512179421 842777108 /nfs/dbraw/zinc/77/71/08/842777108.db2.gz CJKQHMUJSXPUEW-UHFFFAOYSA-N 1 0 394.494 3.520 20 30 GHEDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000187630725 842796202 /nfs/dbraw/zinc/79/62/02/842796202.db2.gz DXCQMIBWRQZHFI-QVKFZJNVSA-N 1 0 389.565 3.558 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3ncccc3OCCCC#N)CC2)CC1 ZINC000188679297 842800323 /nfs/dbraw/zinc/80/03/23/842800323.db2.gz DWPZNHIUKHTICO-UHFFFAOYSA-N 1 0 399.539 3.929 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000599749891 842815797 /nfs/dbraw/zinc/81/57/97/842815797.db2.gz AKBYUZCHAICILG-WOIUINJBSA-N 1 0 394.544 3.511 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000549636539 842816356 /nfs/dbraw/zinc/81/63/56/842816356.db2.gz BMTJRERLHQXMRB-UHFFFAOYSA-N 1 0 382.556 3.781 20 30 GHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc(C#N)nc2ccccc21 ZINC000610573498 842841597 /nfs/dbraw/zinc/84/15/97/842841597.db2.gz KURGHSONSHXDML-UHFFFAOYSA-N 1 0 391.563 3.739 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599573376 861351227 /nfs/dbraw/zinc/35/12/27/861351227.db2.gz GCRNPFXCSWTYJI-JTSKRJEESA-N 1 0 392.503 3.856 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000512191838 842893967 /nfs/dbraw/zinc/89/39/67/842893967.db2.gz AOGFOGQLPPKLDT-GRERDSQWSA-N 1 0 382.552 3.916 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1OC ZINC000510520023 842903031 /nfs/dbraw/zinc/90/30/31/842903031.db2.gz DGHQTQQGTDQHHO-HTAPYJJXSA-N 1 0 382.504 3.990 20 30 GHEDRO N#Cc1ccc(N[C@@H]2CCCN(Cc3cnc(CC(F)(F)F)s3)C2)nc1 ZINC000896651084 861370607 /nfs/dbraw/zinc/37/06/07/861370607.db2.gz LGXVSKNRYWZKMD-CYBMUJFWSA-N 1 0 381.427 3.591 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000458034796 843046991 /nfs/dbraw/zinc/04/69/91/843046991.db2.gz MMVLKNJPSHVNRW-UHFFFAOYSA-N 1 0 379.298 3.827 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000279423884 843053974 /nfs/dbraw/zinc/05/39/74/843053974.db2.gz PLYUKLWCRQKFMA-LJQANCHMSA-N 1 0 387.487 3.760 20 30 GHEDRO COc1cccc(F)c1[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000176018171 843126275 /nfs/dbraw/zinc/12/62/75/843126275.db2.gz ADBJUOCYPZZJIL-MRXNPFEDSA-N 1 0 398.482 3.540 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610583943 843179133 /nfs/dbraw/zinc/17/91/33/843179133.db2.gz MKEIKXPMZPZPPK-MOPGFXCFSA-N 1 0 391.475 3.836 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000599599841 861396422 /nfs/dbraw/zinc/39/64/22/861396422.db2.gz FUKWCVFKOPLALF-SFHVURJKSA-N 1 0 398.894 3.625 20 30 GHEDRO CCC[C@@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCOC1 ZINC000512277360 843303946 /nfs/dbraw/zinc/30/39/46/843303946.db2.gz NINBWTSBOFQIMY-HSZRJFAPSA-N 1 0 394.519 3.512 20 30 GHEDRO Cc1nnc2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn12 ZINC000328987503 843304771 /nfs/dbraw/zinc/30/47/71/843304771.db2.gz HHIJCDNGMXALHT-IHWFROFDSA-N 1 0 375.476 3.538 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000512284001 843315174 /nfs/dbraw/zinc/31/51/74/843315174.db2.gz WLFBPHGJYYTMAO-GOSISDBHSA-N 1 0 381.524 3.559 20 30 GHEDRO O=C(CCc1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000329424855 861402955 /nfs/dbraw/zinc/40/29/55/861402955.db2.gz GDTWHVKJNAELRO-PZJWPPBQSA-N 1 0 383.536 3.584 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)cc1F ZINC000512296235 843339699 /nfs/dbraw/zinc/33/96/99/843339699.db2.gz PFNHDJTUUKOQFG-GUYCJALGSA-N 1 0 379.414 3.761 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000511974866 843372660 /nfs/dbraw/zinc/37/26/60/843372660.db2.gz WHMQRHALTYMATK-NWDGAFQWSA-N 1 0 378.822 3.850 20 30 GHEDRO CC[NH+]=C(NCc1ccc(Br)cc1Cl)N(C)C[C@@H]1CCOC1 ZINC000261613230 843393629 /nfs/dbraw/zinc/39/36/29/843393629.db2.gz GFRMPZGDXLPJEY-LBPRGKRZSA-N 1 0 388.737 3.536 20 30 GHEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662558362 843402579 /nfs/dbraw/zinc/40/25/79/843402579.db2.gz VICLGRHHXUNTAR-JOYOIKCWSA-N 1 0 386.311 3.704 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc(OC)c1O ZINC000091792373 843403274 /nfs/dbraw/zinc/40/32/74/843403274.db2.gz PIYGBTGPLPAZLD-UHFFFAOYSA-N 1 0 377.488 3.713 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CCCN(c3ccc(C(=O)OCC)cn3)CC2)c1 ZINC000512347695 843480448 /nfs/dbraw/zinc/48/04/48/843480448.db2.gz UYQIPZKONSSYSV-UHFFFAOYSA-N 1 0 395.503 3.535 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000278883596 843505901 /nfs/dbraw/zinc/50/59/01/843505901.db2.gz IEDIQJORJRQQJF-UHFFFAOYSA-N 1 0 385.443 3.712 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CCC[NH2+]1 ZINC000662683792 843517668 /nfs/dbraw/zinc/51/76/68/843517668.db2.gz UCINMCIAFWYUHK-SBUREZEXSA-N 1 0 395.503 3.545 20 30 GHEDRO C=CC[C@@]1(C(=O)NCc2cccnc2Oc2ccccc2OCCC)CCC[NH2+]1 ZINC000662684389 843522214 /nfs/dbraw/zinc/52/22/14/843522214.db2.gz XWGDCIRNBMNDQL-QHCPKHFHSA-N 1 0 395.503 3.977 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000105485694 843643801 /nfs/dbraw/zinc/64/38/01/843643801.db2.gz MTVXDALHJACNNC-JTSKRJEESA-N 1 0 399.922 3.794 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000512419713 843748450 /nfs/dbraw/zinc/74/84/50/843748450.db2.gz BMRLACRZUGLIQH-UHFFFAOYSA-N 1 0 386.499 3.901 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599666368 861458940 /nfs/dbraw/zinc/45/89/40/861458940.db2.gz NJDFGCZFQYAYPS-OAHLLOKOSA-N 1 0 398.315 3.968 20 30 GHEDRO Cc1nc2ccccc2nc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512828940 843824646 /nfs/dbraw/zinc/82/46/46/843824646.db2.gz SKRJXVCRUQQFFF-UHFFFAOYSA-N 1 0 376.435 3.992 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)c1 ZINC000731111525 861471779 /nfs/dbraw/zinc/47/17/79/861471779.db2.gz SZBRMNSYPGWLTE-NRFANRHFSA-N 1 0 377.488 3.657 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1Cl ZINC000512861662 843897272 /nfs/dbraw/zinc/89/72/72/843897272.db2.gz PLPSJRUCJGTBCI-QGZVFWFLSA-N 1 0 377.916 3.675 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000599651955 861477563 /nfs/dbraw/zinc/47/75/63/861477563.db2.gz JDWQXMJTRAVJLT-XVSDVWIESA-N 1 0 398.304 3.725 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000731118557 861477979 /nfs/dbraw/zinc/47/79/79/861477979.db2.gz ARQMQRQBLMPNEQ-SFTDATJTSA-N 1 0 380.621 3.795 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000047051606 844751250 /nfs/dbraw/zinc/75/12/50/844751250.db2.gz SADMEULEJCGOCR-GOSISDBHSA-N 1 0 392.503 3.545 20 30 GHEDRO CC(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000329473425 861495950 /nfs/dbraw/zinc/49/59/50/861495950.db2.gz ONPGGAQJBLLPRP-MDKPJZGXSA-N 1 0 387.524 3.628 20 30 GHEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000614159879 844789112 /nfs/dbraw/zinc/78/91/12/844789112.db2.gz YITLPNYASWNINJ-UHFFFAOYSA-N 1 0 379.479 3.975 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000610984070 844996142 /nfs/dbraw/zinc/99/61/42/844996142.db2.gz XRJKVPJESZWJRM-NRFANRHFSA-N 1 0 388.515 3.759 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000458331840 845034646 /nfs/dbraw/zinc/03/46/46/845034646.db2.gz IPBNXVXXOGHSHQ-UHFFFAOYSA-N 1 0 383.414 3.524 20 30 GHEDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)nn1[C@@H](C)C1CC1 ZINC000329493678 861538694 /nfs/dbraw/zinc/53/86/94/861538694.db2.gz UIHNGTLUGQQXEZ-KRWDZBQOSA-N 1 0 381.524 3.859 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)cc1OC ZINC000673749295 861549472 /nfs/dbraw/zinc/54/94/72/861549472.db2.gz GIBCJGVHDIGKAF-LJQANCHMSA-N 1 0 394.515 3.997 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](OC)C1CCCC1 ZINC000657238291 845282991 /nfs/dbraw/zinc/28/29/91/845282991.db2.gz QNCLIOSOGJLZGH-SFHVURJKSA-N 1 0 378.586 3.790 20 30 GHEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000600314181 861554278 /nfs/dbraw/zinc/55/42/78/861554278.db2.gz MLVPFVHMINJXFS-IBGZPJMESA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2cc(C#N)c3ccccc3n2)CCOCC1)c1ccccc1 ZINC000433782742 845352229 /nfs/dbraw/zinc/35/22/29/845352229.db2.gz LPMNGWXOXXTKNR-SFHVURJKSA-N 1 0 386.499 3.840 20 30 GHEDRO C[N@H+]1CC=C(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000538340507 845385868 /nfs/dbraw/zinc/38/58/68/845385868.db2.gz CHJDGSVMMJFVDE-UHFFFAOYSA-N 1 0 381.863 3.996 20 30 GHEDRO N#CC1(CCN2CC[N@H+](CCC3(C#N)CCCCC3)CC(O)C2)CCCCC1 ZINC000411406195 845418045 /nfs/dbraw/zinc/41/80/45/845418045.db2.gz INLZYRXQKREWEI-UHFFFAOYSA-N 1 0 386.584 3.693 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000119604110 845472093 /nfs/dbraw/zinc/47/20/93/845472093.db2.gz BMWNWXNGDQQMEN-UONOGXRCSA-N 1 0 381.314 3.697 20 30 GHEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H](C)c1cccc2ccccc21 ZINC000262823627 845530417 /nfs/dbraw/zinc/53/04/17/845530417.db2.gz XPOLFTWOFONMQY-SJLPKXTDSA-N 1 0 390.535 3.618 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000119549088 845536182 /nfs/dbraw/zinc/53/61/82/845536182.db2.gz NMUXSZSNTNCXLW-QGZVFWFLSA-N 1 0 381.476 3.685 20 30 GHEDRO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O ZINC000512800408 845581795 /nfs/dbraw/zinc/58/17/95/845581795.db2.gz BAIKEXGWMHDILE-LJQANCHMSA-N 1 0 387.499 3.578 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000119579336 845590905 /nfs/dbraw/zinc/59/09/05/845590905.db2.gz WAQMVMBJMDIYKS-NHCUHLMSSA-N 1 0 381.907 3.906 20 30 GHEDRO CCn1nc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccccc21 ZINC000472069609 845698859 /nfs/dbraw/zinc/69/88/59/845698859.db2.gz KNJVABXVDDSDKW-KRWDZBQOSA-N 1 0 377.467 3.826 20 30 GHEDRO Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1NC(=O)CC[NH+](C)C ZINC000548617350 845837034 /nfs/dbraw/zinc/83/70/34/845837034.db2.gz PWPMSTWTJOKCQW-UHFFFAOYSA-N 1 0 384.867 3.663 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000604036576 861612367 /nfs/dbraw/zinc/61/23/67/861612367.db2.gz UFBCHGLBRPRVLG-QZTJIDSGSA-N 1 0 397.544 3.515 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001167539437 846105977 /nfs/dbraw/zinc/10/59/77/846105977.db2.gz NJMWMDTYOAETQE-QGZVFWFLSA-N 1 0 397.441 3.602 20 30 GHEDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421383405 846198811 /nfs/dbraw/zinc/19/88/11/846198811.db2.gz NBDWPWXVLFJPJE-HNNXBMFYSA-N 1 0 391.284 3.709 20 30 GHEDRO CC[C@@H]1C[C@@]1([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(C)c1 ZINC000502560601 846204762 /nfs/dbraw/zinc/20/47/62/846204762.db2.gz RPXIOKMBLSCSGC-DVECYGJZSA-N 1 0 399.498 3.906 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)sc2c1CCCCC2 ZINC000502565694 846210492 /nfs/dbraw/zinc/21/04/92/846210492.db2.gz NNHVIXWWUIWXAJ-HUUCEWRRSA-N 1 0 397.491 3.967 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000604036038 861654679 /nfs/dbraw/zinc/65/46/79/861654679.db2.gz POCBLYOASAMSMY-HDICACEKSA-N 1 0 397.544 3.515 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3C#N)c(C)c2)CC1 ZINC000119816287 846327479 /nfs/dbraw/zinc/32/74/79/846327479.db2.gz MZICPOMUDPJFCZ-UHFFFAOYSA-N 1 0 381.455 3.792 20 30 GHEDRO Cc1nn(C)c(N2CC[NH+](CCCSc3ccccc3Cl)CC2)c1C#N ZINC000472162538 846333160 /nfs/dbraw/zinc/33/31/60/846333160.db2.gz ZHJMUZVANRBYLR-UHFFFAOYSA-N 1 0 389.956 3.558 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc(C#N)c1 ZINC000551374858 846351642 /nfs/dbraw/zinc/35/16/42/846351642.db2.gz PYGDYSJAASLDJX-CMJOXMDJSA-N 1 0 388.471 3.634 20 30 GHEDRO [NH2+]=C(NCc1cc(Cl)ccc1N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000262055679 846372817 /nfs/dbraw/zinc/37/28/17/846372817.db2.gz AYXWEESAMVRTOK-UHFFFAOYSA-N 1 0 384.911 3.592 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000047740827 846378279 /nfs/dbraw/zinc/37/82/79/846378279.db2.gz UQFQYRTVOXDNTO-UHFFFAOYSA-N 1 0 387.430 3.688 20 30 GHEDRO N#CCCn1cc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)c(-c2ccncc2)n1 ZINC000280510369 846429667 /nfs/dbraw/zinc/42/96/67/846429667.db2.gz AGHMLURLTRDGIT-JOCHJYFZSA-N 1 0 392.551 3.745 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc(C)cc2)cc1 ZINC000280577112 846443423 /nfs/dbraw/zinc/44/34/23/846443423.db2.gz MHFGGRRZFKHYQQ-HXUWFJFHSA-O 1 0 397.564 3.942 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1C#N ZINC000419398429 846521917 /nfs/dbraw/zinc/52/19/17/846521917.db2.gz WZWJWLHAHLRZCS-YQQAZPJKSA-N 1 0 382.508 3.923 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)ccc1OCc1cccc(C#N)c1 ZINC000502843472 846535727 /nfs/dbraw/zinc/53/57/27/846535727.db2.gz STJHKXNGDPLLIF-RTWAWAEBSA-N 1 0 380.488 3.787 20 30 GHEDRO C=CCCn1cc(C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nn1 ZINC000657367795 846632827 /nfs/dbraw/zinc/63/28/27/846632827.db2.gz QZIYQHFKKVMTEP-UHFFFAOYSA-N 1 0 394.350 3.915 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000684805927 846717644 /nfs/dbraw/zinc/71/76/44/846717644.db2.gz QKSVDVPRQGXGHD-DBVUQKKJSA-N 1 0 391.943 3.757 20 30 GHEDRO COc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599815326 861712620 /nfs/dbraw/zinc/71/26/20/861712620.db2.gz XFISBUHONFKFLG-DOTOQJQBSA-N 1 0 396.466 3.738 20 30 GHEDRO COc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(F)cc1C#N ZINC000599816270 861715891 /nfs/dbraw/zinc/71/58/91/861715891.db2.gz KXQCFVMYJJYNAD-YJBOKZPZSA-N 1 0 396.466 3.881 20 30 GHEDRO COc1cc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(F)cc1C#N ZINC000599818894 861725153 /nfs/dbraw/zinc/72/51/53/861725153.db2.gz AGGYDTKUAUONRU-IBGZPJMESA-N 1 0 382.439 3.665 20 30 GHEDRO N#CCc1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000582284476 846782000 /nfs/dbraw/zinc/78/20/00/846782000.db2.gz MAFSIRSVZIRIQT-UHFFFAOYSA-N 1 0 390.915 3.515 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1CCC#N ZINC000272015764 846970524 /nfs/dbraw/zinc/97/05/24/846970524.db2.gz BLBYIEZXGRAYSD-YLJYHZDGSA-N 1 0 394.523 3.622 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277587219 847152653 /nfs/dbraw/zinc/15/26/53/847152653.db2.gz WLBOUVIESGEEGF-DLBZAZTESA-N 1 0 390.553 3.561 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)C(C)C ZINC000501753988 847158584 /nfs/dbraw/zinc/15/85/84/847158584.db2.gz MKOMKYOXDRVLQZ-QGZVFWFLSA-N 1 0 393.915 3.931 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000108299719 847188621 /nfs/dbraw/zinc/18/86/21/847188621.db2.gz NJKXJKSWXRSCFW-KRWDZBQOSA-N 1 0 379.435 3.704 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000047987476 847308014 /nfs/dbraw/zinc/30/80/14/847308014.db2.gz HFWDCLDOTNFPPA-FQEVSTJZSA-N 1 0 382.895 3.848 20 30 GHEDRO N#CC(CC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1)(c1ccccc1)c1ccccc1 ZINC000555762058 861777310 /nfs/dbraw/zinc/77/73/10/861777310.db2.gz WBFOYDGGXNDROE-UKILVPOCSA-N 1 0 390.527 3.796 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000329616408 861780207 /nfs/dbraw/zinc/78/02/07/861780207.db2.gz FQJJKXJOGYJDPV-ROOBUULFSA-N 1 0 385.556 3.691 20 30 GHEDRO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCc2ccccc2C1 ZINC000513784496 847482644 /nfs/dbraw/zinc/48/26/44/847482644.db2.gz SLWBUAIEVWJVTN-NRFANRHFSA-N 1 0 382.529 3.601 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135106112 847482894 /nfs/dbraw/zinc/48/28/94/847482894.db2.gz JHFMDWIFGCIGDZ-MRXNPFEDSA-N 1 0 397.441 3.580 20 30 GHEDRO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502163665 847543556 /nfs/dbraw/zinc/54/35/56/847543556.db2.gz CZVGPRBUQZTTEQ-GOSISDBHSA-N 1 0 398.551 3.540 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000502233715 847642150 /nfs/dbraw/zinc/64/21/50/847642150.db2.gz ORCGWNRRIHWXQO-MRXNPFEDSA-N 1 0 398.429 3.885 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000611646134 847772692 /nfs/dbraw/zinc/77/26/92/847772692.db2.gz KOXKSAFGHIOASI-FQEVSTJZSA-N 1 0 397.519 3.704 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)cc1F ZINC000421320446 847942793 /nfs/dbraw/zinc/94/27/93/847942793.db2.gz AEZNYUXGSJFNAJ-AWEZNQCLSA-N 1 0 382.357 3.537 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2cccc(C#N)c2)CC1 ZINC000158714187 847996357 /nfs/dbraw/zinc/99/63/57/847996357.db2.gz LXROXYCDIXYSJV-UHFFFAOYSA-N 1 0 379.529 3.693 20 30 GHEDRO N#Cc1c(C#N)c(NC2CC[NH+](C3CCCC3)CC2)nc2c1CCCCCC2 ZINC000480060781 848052698 /nfs/dbraw/zinc/05/26/98/848052698.db2.gz LGTLDGAQEVRAIS-UHFFFAOYSA-N 1 0 377.536 3.725 20 30 GHEDRO COc1cc(CN2CC[C@@H](C[NH+](C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000116879670 848058050 /nfs/dbraw/zinc/05/80/50/848058050.db2.gz RIGWGALGFVPTGB-NRFANRHFSA-N 1 0 379.504 3.529 20 30 GHEDRO C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599919362 861879150 /nfs/dbraw/zinc/87/91/50/861879150.db2.gz UPQLEFCFJMETFE-VEYWIMSWSA-N 1 0 388.515 3.927 20 30 GHEDRO COc1cc2cccnc2c(N(c2nc(Cl)cc(C#N)n2)[C@@H](C)CCC[NH3+])c1 ZINC001167609930 848271896 /nfs/dbraw/zinc/27/18/96/848271896.db2.gz ALDCEHUPMHMPNW-ZDUSSCGKSA-N 1 0 396.882 3.824 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(C#N)cc1 ZINC000046527232 848313824 /nfs/dbraw/zinc/31/38/24/848313824.db2.gz HLWNCVRVFDJDSZ-UHFFFAOYSA-N 1 0 378.501 3.831 20 30 GHEDRO COc1cc2cccnc2c(N(c2cncc(F)c2C#N)[C@H](C)CCC[NH3+])c1 ZINC001167615928 848364919 /nfs/dbraw/zinc/36/49/19/848364919.db2.gz PYEJTTKUEPCCAA-CQSZACIVSA-N 1 0 379.439 3.915 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000180035016 861916279 /nfs/dbraw/zinc/91/62/79/861916279.db2.gz XNMZUJSEZDYDSU-OAHLLOKOSA-N 1 0 383.404 3.559 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000582875001 848624350 /nfs/dbraw/zinc/62/43/50/848624350.db2.gz YCVJSHDRPURNLC-AVRDEDQJSA-N 1 0 379.504 3.577 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)N[C@@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000599931814 861929070 /nfs/dbraw/zinc/92/90/70/861929070.db2.gz XNECQXZAKBSXFR-QHCPKHFHSA-N 1 0 384.483 3.674 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC[C@H]2CCCO2)c1 ZINC000121284303 848727956 /nfs/dbraw/zinc/72/79/56/848727956.db2.gz PRGHWHUSPFRXAB-QGZVFWFLSA-O 1 0 389.928 3.643 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)COc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000604200526 861969458 /nfs/dbraw/zinc/96/94/58/861969458.db2.gz NWDBUHIRSUOUBL-JOCHJYFZSA-N 1 0 377.488 3.526 20 30 GHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000535965665 849360675 /nfs/dbraw/zinc/36/06/75/849360675.db2.gz CNMBAIROPFRWSX-LJQANCHMSA-N 1 0 387.487 3.710 20 30 GHEDRO CC(C)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000503937505 849783981 /nfs/dbraw/zinc/78/39/81/849783981.db2.gz SJKHFZYGEQAQKA-FQEVSTJZSA-N 1 0 392.459 3.875 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1OC ZINC000503942453 849787122 /nfs/dbraw/zinc/78/71/22/849787122.db2.gz DDXCZPILMJDCHK-ZFWWWQNUSA-N 1 0 384.314 3.927 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434903759 849886556 /nfs/dbraw/zinc/88/65/56/849886556.db2.gz BQAKYCLJRHHMFZ-KPRXVCGWSA-N 1 0 389.584 3.977 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 ZINC000425256410 849937292 /nfs/dbraw/zinc/93/72/92/849937292.db2.gz BJSBNGOOYMTHDU-UHFFFAOYSA-N 1 0 393.447 3.501 20 30 GHEDRO COc1cc(F)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000514608408 850050245 /nfs/dbraw/zinc/05/02/45/850050245.db2.gz AMDBFMRVXHLIJU-UHFFFAOYSA-N 1 0 385.439 3.589 20 30 GHEDRO N#Cc1cccc(CCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000439503064 850055351 /nfs/dbraw/zinc/05/53/51/850055351.db2.gz HYSDRXNARZEAGL-UHFFFAOYSA-N 1 0 394.544 3.514 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2CCCc2ccccc2)cc1 ZINC000486806916 850131200 /nfs/dbraw/zinc/13/12/00/850131200.db2.gz BQGPCGBUPBRKQF-NRFANRHFSA-N 1 0 382.529 3.819 20 30 GHEDRO N#Cc1cccc(OCCC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000486857035 850170962 /nfs/dbraw/zinc/17/09/62/850170962.db2.gz POESQTXYEOMDOI-AUSIDOKSSA-N 1 0 392.503 3.716 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000486894506 850209952 /nfs/dbraw/zinc/20/99/52/850209952.db2.gz AAOWNHLRMQTWBR-VGOFRKELSA-N 1 0 377.488 3.624 20 30 GHEDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424120844 850234004 /nfs/dbraw/zinc/23/40/04/850234004.db2.gz HKFOOCKYOIEAOI-VXKWHMMOSA-N 1 0 379.504 3.733 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000908663979 850257104 /nfs/dbraw/zinc/25/71/04/850257104.db2.gz AKOGCIGUZHEBBU-UHFFFAOYSA-N 1 0 386.931 3.634 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424131501 850257214 /nfs/dbraw/zinc/25/72/14/850257214.db2.gz WCVFNHCKFYSQOS-VQTJNVASSA-N 1 0 397.592 3.991 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1ccc(C#N)cc1 ZINC000108363073 850290864 /nfs/dbraw/zinc/29/08/64/850290864.db2.gz CDCKWIMPIPCEGZ-UHFFFAOYSA-N 1 0 391.450 3.591 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000514800888 850308714 /nfs/dbraw/zinc/30/87/14/850308714.db2.gz MARYCZFXRDCMNY-FQEVSTJZSA-N 1 0 397.567 3.910 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000486994150 850332783 /nfs/dbraw/zinc/33/27/83/850332783.db2.gz GEOZMTQDEXMMGZ-BEFAXECRSA-N 1 0 379.932 3.756 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000435332230 850381536 /nfs/dbraw/zinc/38/15/36/850381536.db2.gz LCTPBFPNMJCZCO-OAQYLSRUSA-N 1 0 381.451 3.707 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000487093962 850446483 /nfs/dbraw/zinc/44/64/83/850446483.db2.gz ONMILFRRGVWBIG-FQEVSTJZSA-N 1 0 394.515 3.554 20 30 GHEDRO C[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000518981379 850450355 /nfs/dbraw/zinc/45/03/55/850450355.db2.gz YTDSIBLEIMIPOS-SFHVURJKSA-N 1 0 392.503 3.593 20 30 GHEDRO C=C(C)C(C)(C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000424606999 850562357 /nfs/dbraw/zinc/56/23/57/850562357.db2.gz ZJODVZULSVQOHJ-UHFFFAOYSA-N 1 0 378.520 3.945 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC2(CC#N)CC2)CC1 ZINC000514996623 850565265 /nfs/dbraw/zinc/56/52/65/850565265.db2.gz JMXSRSWXFALUGR-UHFFFAOYSA-N 1 0 376.888 3.628 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000505052314 850574141 /nfs/dbraw/zinc/57/41/41/850574141.db2.gz QQHUNSCWIYCOBD-SFTDATJTSA-N 1 0 379.504 3.562 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H]1CC ZINC000909297870 850679920 /nfs/dbraw/zinc/67/99/20/850679920.db2.gz SAYDMTGVBHESRP-NRSPTQNISA-N 1 0 393.535 3.861 20 30 GHEDRO C=CCC1(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCOCC1 ZINC000424783291 850696343 /nfs/dbraw/zinc/69/63/43/850696343.db2.gz PREBLGZZLNPRJX-KRWDZBQOSA-N 1 0 384.442 3.797 20 30 GHEDRO C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1=CC[N@H+](C)CC1 ZINC000329705444 862160427 /nfs/dbraw/zinc/16/04/27/862160427.db2.gz KGWIGVHZNNMLKP-LLVKDONJSA-N 1 0 390.281 3.658 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000435729033 850792147 /nfs/dbraw/zinc/79/21/47/850792147.db2.gz AVJBBXDWFMJWIS-OXQOHEQNSA-N 1 0 393.369 3.984 20 30 GHEDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000515216376 850799577 /nfs/dbraw/zinc/79/95/77/850799577.db2.gz ZKCUEGIXRDJYFI-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OCCOCC ZINC000435732313 850819759 /nfs/dbraw/zinc/81/97/59/850819759.db2.gz OLYFCZSDWGYDQY-BEFAXECRSA-N 1 0 398.341 3.935 20 30 GHEDRO C=C(C(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3scnc3C)C2)C1)C(F)(F)F ZINC001270008544 850839977 /nfs/dbraw/zinc/83/99/77/850839977.db2.gz WWPFORIFWRXPTJ-QGZVFWFLSA-N 1 0 387.471 3.775 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000519282942 850861168 /nfs/dbraw/zinc/86/11/68/850861168.db2.gz ZJAANZQZZYFOGG-UHFFFAOYSA-N 1 0 386.323 3.712 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000519301447 850869020 /nfs/dbraw/zinc/86/90/20/850869020.db2.gz FHIVGDRRARKWBI-UHFFFAOYSA-N 1 0 393.531 3.758 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)ccn1)c1ccc(C(F)(F)F)cc1 ZINC000488046072 851104802 /nfs/dbraw/zinc/10/48/02/851104802.db2.gz JUPQOVKALMIUAL-SFHVURJKSA-N 1 0 390.409 3.785 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000505751280 851155647 /nfs/dbraw/zinc/15/56/47/851155647.db2.gz QIMZXIDDXMYUCD-GOSISDBHSA-N 1 0 389.569 3.916 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246638734 851304607 /nfs/dbraw/zinc/30/46/07/851304607.db2.gz GPACELPTDFDJPO-XQBPLPMBSA-N 1 0 391.515 3.837 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCSC1 ZINC000481772683 862228805 /nfs/dbraw/zinc/22/88/05/862228805.db2.gz BLUWDNXVFZUXEE-NRFANRHFSA-N 1 0 396.516 3.909 20 30 GHEDRO N#Cc1cc(F)c(NCC2([NH+]3CCCC3)CCOCC2)cc1Br ZINC000515670555 851315495 /nfs/dbraw/zinc/31/54/95/851315495.db2.gz PJESYWDOXKTPHP-UHFFFAOYSA-N 1 0 382.277 3.517 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000550064158 851340796 /nfs/dbraw/zinc/34/07/96/851340796.db2.gz XMUCLAXFUATOIG-NFBKMPQASA-N 1 0 385.552 3.669 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3ccccc3n2)c(OC)c1 ZINC000515832005 851539217 /nfs/dbraw/zinc/53/92/17/851539217.db2.gz FYKQBNXISYIPQP-FQEVSTJZSA-N 1 0 378.472 3.501 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000473571314 851570159 /nfs/dbraw/zinc/57/01/59/851570159.db2.gz ONAFOXPYSFCKIE-OAQYLSRUSA-N 1 0 378.944 3.897 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000425542360 851590266 /nfs/dbraw/zinc/59/02/66/851590266.db2.gz QTHRGGGKCYZDQU-UTKZUKDTSA-N 1 0 380.488 3.728 20 30 GHEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604501438 862260542 /nfs/dbraw/zinc/26/05/42/862260542.db2.gz TWJVQISJNLMZAK-XXBNENTESA-N 1 0 380.488 3.510 20 30 GHEDRO Cc1cccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000488593754 851635146 /nfs/dbraw/zinc/63/51/46/851635146.db2.gz JIQCTNBGEWNQGT-UHFFFAOYSA-N 1 0 381.907 3.797 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3ccsc3C#N)cc2)C[C@H](C)O1 ZINC000911911547 851964524 /nfs/dbraw/zinc/96/45/24/851964524.db2.gz RATHKSYKRIYEEZ-IYBDPMFKSA-N 1 0 383.517 3.501 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C#N)cc1N(C)C ZINC000436497480 851973024 /nfs/dbraw/zinc/97/30/24/851973024.db2.gz LMPXYAXPIUJKOI-UHFFFAOYSA-N 1 0 391.519 3.719 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000329779463 862316657 /nfs/dbraw/zinc/31/66/57/862316657.db2.gz LXXIEHIAAZUQFK-KLIQENQMSA-N 1 0 387.549 3.582 20 30 GHEDRO N#CCOc1ccc(Br)cc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167982430 852086636 /nfs/dbraw/zinc/08/66/36/852086636.db2.gz CTHWSKZILDMZAE-UHFFFAOYSA-N 1 0 386.249 3.502 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2=O)cc1 ZINC000489259594 852159389 /nfs/dbraw/zinc/15/93/89/852159389.db2.gz RIDIXRHINZVKPN-JTHBVZDNSA-N 1 0 394.563 3.642 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000473826293 852190824 /nfs/dbraw/zinc/19/08/24/852190824.db2.gz DRBSTVOVXHJHNO-JIPZTSHUSA-N 1 0 380.467 3.975 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Br)s1 ZINC000028884999 852217798 /nfs/dbraw/zinc/21/77/98/852217798.db2.gz HSUFILOJFTUDCH-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000517708603 852275673 /nfs/dbraw/zinc/27/56/73/852275673.db2.gz ACUBBAZQAONTOJ-XMSQKQJNSA-N 1 0 399.560 3.743 20 30 GHEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000489475081 852379703 /nfs/dbraw/zinc/37/97/03/852379703.db2.gz GKGDJSGTLHRHEM-SFHVURJKSA-N 1 0 380.492 3.987 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000517779502 852400005 /nfs/dbraw/zinc/40/00/05/852400005.db2.gz LOJPLVJVRRWWKZ-UHFFFAOYSA-N 1 0 380.492 3.941 20 30 GHEDRO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)o1 ZINC000438470772 852451705 /nfs/dbraw/zinc/45/17/05/852451705.db2.gz QNPRMEBTHBVEMD-UHFFFAOYSA-N 1 0 377.448 3.725 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Cc1c(F)cccc1C#N)[NH+]1CCCCC1 ZINC000507170672 852640758 /nfs/dbraw/zinc/64/07/58/852640758.db2.gz PRXLFDKDGFODNB-NRFANRHFSA-N 1 0 395.478 3.592 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000507229233 852683990 /nfs/dbraw/zinc/68/39/90/852683990.db2.gz IKMBLAZVWCGZCG-HZPDHXFCSA-N 1 0 391.475 3.557 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000506329429 852749620 /nfs/dbraw/zinc/74/96/20/852749620.db2.gz ZVFSZFNGUNNCEQ-LJQANCHMSA-N 1 0 380.492 3.640 20 30 GHEDRO COc1ccc2c(c1)[C@@H](C(=O)NCC1(C[NH+]3CCOCC3)CCCCC1)CC2 ZINC000329879739 862392646 /nfs/dbraw/zinc/39/26/46/862392646.db2.gz MREQNRVUQDUABX-FQEVSTJZSA-N 1 0 386.536 3.964 20 30 GHEDRO CCCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000506353094 852833611 /nfs/dbraw/zinc/83/36/11/852833611.db2.gz MEWJIDWRAWKQPQ-UHFFFAOYSA-N 1 0 391.515 3.875 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)nc1 ZINC000912929747 852895411 /nfs/dbraw/zinc/89/54/11/852895411.db2.gz OSFJPBAIVYMWFS-JOCHJYFZSA-N 1 0 388.515 3.539 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000329899021 862407230 /nfs/dbraw/zinc/40/72/30/862407230.db2.gz FEZUJXAEOIEBQO-HZPDHXFCSA-N 1 0 378.398 3.823 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccco1 ZINC000509594371 853027714 /nfs/dbraw/zinc/02/77/14/853027714.db2.gz FASQEKMLYACOCX-OXJNMPFZSA-N 1 0 380.492 3.955 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)CC1 ZINC000490531172 853078132 /nfs/dbraw/zinc/07/81/32/853078132.db2.gz KVQXGARKOVRURF-UHFFFAOYSA-N 1 0 395.385 3.527 20 30 GHEDRO N#Cc1ccc(C2(NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)CCOCC2)cc1 ZINC000913162956 853127965 /nfs/dbraw/zinc/12/79/65/853127965.db2.gz YEXGIFIKDQSDLP-UHFFFAOYSA-N 1 0 388.471 3.598 20 30 GHEDRO CS(=O)(=O)Cc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507653459 853140045 /nfs/dbraw/zinc/14/00/45/853140045.db2.gz LTBKGGLVHDNNBQ-UHFFFAOYSA-N 1 0 382.529 3.725 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(Oc3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000507666881 853149920 /nfs/dbraw/zinc/14/99/20/853149920.db2.gz RLYUTIGYTTZQLI-UHFFFAOYSA-N 1 0 387.487 3.902 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1Cl ZINC000506051216 853161706 /nfs/dbraw/zinc/16/17/06/853161706.db2.gz JHMJLXOOWCTSQC-UHFFFAOYSA-N 1 0 392.290 3.727 20 30 GHEDRO COc1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c([N+](=O)[O-])cc1O ZINC000111408787 853164170 /nfs/dbraw/zinc/16/41/70/853164170.db2.gz VMFHBDCNIPNEAJ-UHFFFAOYSA-N 1 0 397.431 3.660 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414979523 853249769 /nfs/dbraw/zinc/24/97/69/853249769.db2.gz VJGPWHKLFWPGLV-INIZCTEOSA-N 1 0 383.330 3.500 20 30 GHEDRO N#Cc1ccc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000029620646 853297592 /nfs/dbraw/zinc/29/75/92/853297592.db2.gz FWLASWVBZWXCDP-UHFFFAOYSA-N 1 0 383.499 3.888 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000490845102 853306944 /nfs/dbraw/zinc/30/69/44/853306944.db2.gz PSSYBBVQWGCFEX-HXUWFJFHSA-N 1 0 380.492 3.921 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000437640201 853352355 /nfs/dbraw/zinc/35/23/55/853352355.db2.gz FLHOYASMEHOXLE-YADHBBJMSA-N 1 0 385.552 3.843 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000329957482 862455743 /nfs/dbraw/zinc/45/57/43/862455743.db2.gz PMDSIJSWDIZRMN-PELRDEGISA-N 1 0 396.535 3.580 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000517130077 853414586 /nfs/dbraw/zinc/41/45/86/853414586.db2.gz MIZTZHNKZLSGMP-CYBMUJFWSA-N 1 0 389.721 3.762 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000506522014 853445550 /nfs/dbraw/zinc/44/55/50/853445550.db2.gz HHJNAUGSOWBFAK-QGZVFWFLSA-N 1 0 377.916 3.543 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)o1 ZINC000491148542 853458311 /nfs/dbraw/zinc/45/83/11/853458311.db2.gz QSMHBUCCTZOZRU-LJQANCHMSA-N 1 0 378.476 3.585 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1O ZINC000426356482 853546214 /nfs/dbraw/zinc/54/62/14/853546214.db2.gz KPEJZAAOSROLSM-DZIBYMRMSA-N 1 0 395.503 3.968 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000586789674 853550224 /nfs/dbraw/zinc/55/02/24/853550224.db2.gz NBWGWKVXVIRMTJ-OAQYLSRUSA-N 1 0 379.479 3.708 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3CC#N)CC2)c1 ZINC000517244823 853554715 /nfs/dbraw/zinc/55/47/15/853554715.db2.gz MJOOSYYGCLWJBG-UHFFFAOYSA-N 1 0 396.922 3.865 20 30 GHEDRO Cc1ccccc1C(=O)C(C(=S)NCc1ccccc1)[n+]1cccc(CO)c1 ZINC000055012146 853629167 /nfs/dbraw/zinc/62/91/67/853629167.db2.gz ZSMSTLQWABHYNV-UHFFFAOYSA-O 1 0 391.516 3.503 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000517304358 853639942 /nfs/dbraw/zinc/63/99/42/853639942.db2.gz GHGAADAPCORDQZ-UHFFFAOYSA-N 1 0 376.298 3.701 20 30 GHEDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000133274154 862486103 /nfs/dbraw/zinc/48/61/03/862486103.db2.gz FNZVIZVSVGRQMZ-QGZVFWFLSA-N 1 0 394.393 3.523 20 30 GHEDRO C[N@H+](CCCOCc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000439464665 853694213 /nfs/dbraw/zinc/69/42/13/853694213.db2.gz DMJFWLGCUNHXJH-JOCHJYFZSA-N 1 0 377.488 3.592 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000171584522 862491985 /nfs/dbraw/zinc/49/19/85/862491985.db2.gz MCZLZPOALMQBCQ-QGZVFWFLSA-N 1 0 387.524 3.952 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000437989378 853727038 /nfs/dbraw/zinc/72/70/38/853727038.db2.gz SXUKXUGKIBJTBV-XLIONFOSSA-N 1 0 391.943 3.585 20 30 GHEDRO N#Cc1ncc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000571140041 853766239 /nfs/dbraw/zinc/76/62/39/853766239.db2.gz BMYMOEKWJJHWAG-ZDUSSCGKSA-N 1 0 389.912 3.702 20 30 GHEDRO COc1ccc(S[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000055388331 853902056 /nfs/dbraw/zinc/90/20/56/853902056.db2.gz JVPPMNOFSKBYOS-QGZVFWFLSA-N 1 0 397.544 3.638 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000151392421 853927352 /nfs/dbraw/zinc/92/73/52/853927352.db2.gz LMTIXFZKQLYHGA-KRWDZBQOSA-N 1 0 383.517 3.584 20 30 GHEDRO CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Br)ccc1F ZINC000520174246 853932656 /nfs/dbraw/zinc/93/26/56/853932656.db2.gz ZZMYNHVZWLQRMR-SFHVURJKSA-N 1 0 396.304 3.607 20 30 GHEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481919837 862516242 /nfs/dbraw/zinc/51/62/42/862516242.db2.gz DTGKDNGMNDWNPN-BTYIYWSLSA-N 1 0 383.517 3.585 20 30 GHEDRO O=C(NCc1cn2cc(Cl)ccc2n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330029840 862517959 /nfs/dbraw/zinc/51/79/59/862517959.db2.gz QRCNTZNTDYZEPG-UHFFFAOYSA-N 1 0 389.931 3.788 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1O ZINC000164455078 854013701 /nfs/dbraw/zinc/01/37/01/854013701.db2.gz SWOFIGKCGCKAHK-SFHVURJKSA-N 1 0 394.515 3.771 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSCC2CC[NH2+]CC2)c1C#N ZINC000571795757 854157911 /nfs/dbraw/zinc/15/79/11/854157911.db2.gz QKVYCIUDRZPKHG-UHFFFAOYSA-N 1 0 396.560 3.696 20 30 GHEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000441386001 854168820 /nfs/dbraw/zinc/16/88/20/854168820.db2.gz PAPDBIPVEXWQES-AVRDEDQJSA-N 1 0 387.487 3.730 20 30 GHEDRO CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC[NH+]1CCCCCC1 ZINC000588211884 854218129 /nfs/dbraw/zinc/21/81/29/854218129.db2.gz HYSQOROFAXJBEE-UHFFFAOYSA-N 1 0 388.581 3.635 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588235891 854226750 /nfs/dbraw/zinc/22/67/50/854226750.db2.gz SOHHOVYESIZUDN-JXFKEZNVSA-N 1 0 391.475 3.836 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000588339661 854298973 /nfs/dbraw/zinc/29/89/73/854298973.db2.gz KHFBXEAMVCHGLC-QHCPKHFHSA-N 1 0 392.478 3.505 20 30 GHEDRO C=CCOc1ccccc1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000588374068 854299093 /nfs/dbraw/zinc/29/90/93/854299093.db2.gz AGXDYJORRZKVSU-QGZVFWFLSA-N 1 0 397.494 3.633 20 30 GHEDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1Cl ZINC000572028876 854337265 /nfs/dbraw/zinc/33/72/65/854337265.db2.gz JKEMRLBBSBQYTA-QGZVFWFLSA-N 1 0 390.886 3.852 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cnn2c1nccc2-c1ccccc1 ZINC000330072179 862554905 /nfs/dbraw/zinc/55/49/05/862554905.db2.gz YUZJHPLTXKIXOK-UHFFFAOYSA-N 1 0 375.476 3.718 20 30 GHEDRO Cc1cccc2nc(C3CCN(CC(=O)NC4CC[NH+](C5CC5)CC4)CC3)oc21 ZINC000328611876 854482550 /nfs/dbraw/zinc/48/25/50/854482550.db2.gz OVMWFEQCUYEPKE-UHFFFAOYSA-N 1 0 396.535 3.899 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)CC1 ZINC000328739809 854522397 /nfs/dbraw/zinc/52/23/97/854522397.db2.gz MUVATNBTZLRYNE-MRXNPFEDSA-N 1 0 394.585 3.602 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000328743309 854524421 /nfs/dbraw/zinc/52/44/21/854524421.db2.gz OIOOEEBAIHUMAM-XDOCFNAUSA-N 1 0 399.579 3.731 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000045350362 854538081 /nfs/dbraw/zinc/53/80/81/854538081.db2.gz JFXUFJPDGHTXTA-SFHVURJKSA-N 1 0 394.519 3.791 20 30 GHEDRO Cc1sc(=O)n(CCC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1C ZINC000328729638 854539900 /nfs/dbraw/zinc/53/99/00/854539900.db2.gz WEPYUUWNRUJYJZ-UHFFFAOYSA-N 1 0 379.570 3.920 20 30 GHEDRO Cc1nccn1C[C@H]1CCCN1C([O-])=[NH+]c1cnn(CC(C)C)c1C(F)F ZINC000328826494 854552644 /nfs/dbraw/zinc/55/26/44/854552644.db2.gz HZXYPKXSALQSAG-CQSZACIVSA-N 1 0 380.443 3.692 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](C(=O)N4CCCC4)C3)c2)c1 ZINC000589205397 854749066 /nfs/dbraw/zinc/74/90/66/854749066.db2.gz PIKQOPUXHZMSIJ-JOCHJYFZSA-N 1 0 389.499 3.582 20 30 GHEDRO N#Cc1cccc(NC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000056519333 854767230 /nfs/dbraw/zinc/76/72/30/854767230.db2.gz QTSDFQKSCLDTAA-UHFFFAOYSA-N 1 0 375.476 3.734 20 30 GHEDRO CC(C)c1nc([C@@H]2CCCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)no1 ZINC000330132542 862602440 /nfs/dbraw/zinc/60/24/40/862602440.db2.gz QLTIZIBSJNCPMM-MRXNPFEDSA-N 1 0 389.544 3.693 20 30 GHEDRO CCOc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000330911405 854777477 /nfs/dbraw/zinc/77/74/77/854777477.db2.gz QIGLRAHWNQTOET-WCQYABFASA-N 1 0 385.302 3.644 20 30 GHEDRO CC[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1C(F)(F)F ZINC000439638531 862621405 /nfs/dbraw/zinc/62/14/05/862621405.db2.gz WMOJBSNMMQHVFR-CRAIPNDOSA-N 1 0 391.393 3.551 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)c(C(F)(F)F)c1 ZINC000589511585 854972329 /nfs/dbraw/zinc/97/23/29/854972329.db2.gz WNAVSJVRBMUNTM-MRXNPFEDSA-N 1 0 381.785 3.937 20 30 GHEDRO C[C@@]1(CNC(=O)c2cc3ccccc3n2CC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000614556826 854980635 /nfs/dbraw/zinc/98/06/35/854980635.db2.gz ZBYRUHMUTVGFPX-DEOSSOPVSA-N 1 0 386.499 3.949 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000589631437 855082407 /nfs/dbraw/zinc/08/24/07/855082407.db2.gz RXHSMEMVWDJTRQ-HXUWFJFHSA-N 1 0 394.494 3.799 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000590005457 855223065 /nfs/dbraw/zinc/22/30/65/855223065.db2.gz DAARPQCWFSLVNR-QGZVFWFLSA-N 1 0 380.835 3.915 20 30 GHEDRO Cc1nc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)sc1SCC#N ZINC000057173117 855255818 /nfs/dbraw/zinc/25/58/18/855255818.db2.gz LBUQXJKXKSCBMK-INIZCTEOSA-N 1 0 386.546 3.918 20 30 GHEDRO O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000330214955 862667691 /nfs/dbraw/zinc/66/76/91/862667691.db2.gz GOKSDQROADLKSO-QFBILLFUSA-N 1 0 399.539 3.521 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000441490180 855376306 /nfs/dbraw/zinc/37/63/06/855376306.db2.gz KSWKAESMDONOEZ-SFHVURJKSA-N 1 0 387.915 3.713 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)CSc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000482071130 862672477 /nfs/dbraw/zinc/67/24/77/862672477.db2.gz CYLDYDBANZMHMM-NRFANRHFSA-N 1 0 397.544 3.858 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(C#N)CCCCC2)cc1OC ZINC000057432653 855405720 /nfs/dbraw/zinc/40/57/20/855405720.db2.gz FWQUZOKICIDTGA-UHFFFAOYSA-N 1 0 387.524 3.506 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1F ZINC000590663101 855537253 /nfs/dbraw/zinc/53/72/53/855537253.db2.gz BGOSWNQKXGOYOD-MSOLQXFVSA-N 1 0 391.446 3.784 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000330245815 862691514 /nfs/dbraw/zinc/69/15/14/862691514.db2.gz XXNFYVGTCLHXEQ-HBMCJLEFSA-N 1 0 389.515 3.645 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000301073262 855613213 /nfs/dbraw/zinc/61/32/13/855613213.db2.gz FYODXVOPWXBMRG-UHFFFAOYSA-N 1 0 380.448 3.799 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000280822230 855654322 /nfs/dbraw/zinc/65/43/22/855654322.db2.gz HXGAGSXTJYZHJX-QHCPKHFHSA-N 1 0 393.531 3.541 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000590950047 855671283 /nfs/dbraw/zinc/67/12/83/855671283.db2.gz IBDBDFOKNJAACH-MRXNPFEDSA-N 1 0 379.464 3.599 20 30 GHEDRO C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC000301346513 855674220 /nfs/dbraw/zinc/67/42/20/855674220.db2.gz KQAJUGFKWXGJFF-OAHLLOKOSA-N 1 0 387.443 3.873 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000574692579 855714317 /nfs/dbraw/zinc/71/43/17/855714317.db2.gz BFKYGRGNWOUZRV-GPXOXTDOSA-N 1 0 389.543 3.798 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000591036263 855731058 /nfs/dbraw/zinc/73/10/58/855731058.db2.gz FEKLUOXXYLQZCW-FPOVZHCZSA-N 1 0 382.895 3.575 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000591037344 855731204 /nfs/dbraw/zinc/73/12/04/855731204.db2.gz QNJZYGIZZMGDOL-BTHPGYMESA-N 1 0 395.528 3.666 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(C#N)c1 ZINC000056996886 855749448 /nfs/dbraw/zinc/74/94/48/855749448.db2.gz SIAUAZILJRMFNT-UHFFFAOYSA-N 1 0 386.293 3.525 20 30 GHEDRO CCc1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1CC ZINC000301735083 855750238 /nfs/dbraw/zinc/75/02/38/855750238.db2.gz ZOWGLTRUUVDVNQ-AUSIDOKSSA-N 1 0 389.547 3.964 20 30 GHEDRO CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000157260573 855848988 /nfs/dbraw/zinc/84/89/88/855848988.db2.gz VWZXSBHFGVRNEM-AVRDEDQJSA-N 1 0 376.504 3.925 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCN(CC(F)(F)F)C3)c2)c1 ZINC000057975800 855887939 /nfs/dbraw/zinc/88/79/39/855887939.db2.gz BBZULTCUXDSURE-IBGZPJMESA-N 1 0 389.421 3.863 20 30 GHEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000441660197 855890048 /nfs/dbraw/zinc/89/00/48/855890048.db2.gz HPEMJALDVGHHHM-LJQANCHMSA-N 1 0 388.556 3.852 20 30 GHEDRO CN1CC[NH+](Cc2ccc(NCc3ccc(C#N)cc3C(F)(F)F)cc2)CC1 ZINC000520666971 855954166 /nfs/dbraw/zinc/95/41/66/855954166.db2.gz XCDGFEZXMWHRHT-UHFFFAOYSA-N 1 0 388.437 3.937 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000542811147 855968583 /nfs/dbraw/zinc/96/85/83/855968583.db2.gz KVZVNOKRHOMOOK-UZLBHIALSA-N 1 0 391.471 3.566 20 30 GHEDRO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000542811112 855968830 /nfs/dbraw/zinc/96/88/30/855968830.db2.gz CTMOYYSUTQRVOF-WMZOPIPTSA-N 1 0 380.517 3.740 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H](C#N)CC2)C[C@@H]1C(F)(F)F ZINC001168562506 856063475 /nfs/dbraw/zinc/06/34/75/856063475.db2.gz ZCGKXFFGHPRAPW-QLFBSQMISA-N 1 0 375.435 3.942 20 30 GHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000265598689 856075938 /nfs/dbraw/zinc/07/59/38/856075938.db2.gz LFTYPYCUCSRPTM-UHFFFAOYSA-N 1 0 379.426 3.822 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000674371114 856221871 /nfs/dbraw/zinc/22/18/71/856221871.db2.gz KMRNONKLSSKBDS-GHTZIAJQSA-N 1 0 394.544 3.879 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000171718768 856242327 /nfs/dbraw/zinc/24/23/27/856242327.db2.gz OGIHKXZATRXZHP-UHFFFAOYSA-N 1 0 375.472 3.517 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CC1 ZINC000171722459 856243994 /nfs/dbraw/zinc/24/39/94/856243994.db2.gz CFGYHICYGZHXAP-UHFFFAOYSA-N 1 0 384.501 3.567 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)[NH+]1CCCC1 ZINC000573491695 856256251 /nfs/dbraw/zinc/25/62/51/856256251.db2.gz CMMQIILMUCVVFG-IBGZPJMESA-N 1 0 382.439 3.665 20 30 GHEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485263215 856279115 /nfs/dbraw/zinc/27/91/15/856279115.db2.gz WBPJMMNRJNAOQE-HTAPYJJXSA-N 1 0 377.488 3.673 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000171830991 856280268 /nfs/dbraw/zinc/28/02/68/856280268.db2.gz IWIIXJWHQSMJTF-UHFFFAOYSA-N 1 0 393.531 3.758 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNCc1cc(C#N)ccc1Br ZINC000921623468 856333030 /nfs/dbraw/zinc/33/30/30/856333030.db2.gz LQGKLHCQIYXWBX-UHFFFAOYSA-N 1 0 388.309 3.551 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508903392 856378502 /nfs/dbraw/zinc/37/85/02/856378502.db2.gz OQZYRQGBUJHZJE-UXHICEINSA-N 1 0 397.567 3.933 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058248601 856408157 /nfs/dbraw/zinc/40/81/57/856408157.db2.gz MFDSOROCOQRYTR-MRXNPFEDSA-N 1 0 397.906 3.760 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)ccc1OC(F)F ZINC000198383895 856448711 /nfs/dbraw/zinc/44/87/11/856448711.db2.gz WENGNXIEZMQNKH-UHFFFAOYSA-N 1 0 389.402 3.629 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536496979 856466319 /nfs/dbraw/zinc/46/63/19/856466319.db2.gz IFGRBHOJJMQNSW-WIYYLYMNSA-N 1 0 399.897 3.823 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1F ZINC000888357674 856468636 /nfs/dbraw/zinc/46/86/36/856468636.db2.gz JZBKKARIMQMXKC-SFHVURJKSA-N 1 0 381.455 3.611 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000485462066 856600447 /nfs/dbraw/zinc/60/04/47/856600447.db2.gz DSMAVCZVUVGTBD-UHFFFAOYSA-N 1 0 387.593 3.595 20 30 GHEDRO CN(C(=O)C[NH+]1CCC(CC#N)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000542884468 856630510 /nfs/dbraw/zinc/63/05/10/856630510.db2.gz XOILMRLFQISXKJ-HSZRJFAPSA-N 1 0 379.479 3.999 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1)CC1CC1 ZINC000592044862 856636684 /nfs/dbraw/zinc/63/66/84/856636684.db2.gz SLWHBLPXDULHRA-UHFFFAOYSA-N 1 0 382.552 3.796 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000062240710 856676377 /nfs/dbraw/zinc/67/63/77/856676377.db2.gz MWUDSCOKOYOEKQ-INIZCTEOSA-N 1 0 397.906 3.877 20 30 GHEDRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592154556 856679006 /nfs/dbraw/zinc/67/90/06/856679006.db2.gz UCOGQMTYWGRYFZ-KRWDZBQOSA-N 1 0 381.423 3.988 20 30 GHEDRO C[C@@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H]1n1ccnc1 ZINC000134059200 862826444 /nfs/dbraw/zinc/82/64/44/862826444.db2.gz YUWBHZVHFITWAF-ACJLOTCBSA-N 1 0 383.402 3.992 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(SCCOC)cc2)CC1 ZINC000592295983 856768558 /nfs/dbraw/zinc/76/85/58/856768558.db2.gz RAUWPTJTJKWRAZ-KRWDZBQOSA-N 1 0 391.581 3.826 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000592301955 856772055 /nfs/dbraw/zinc/77/20/55/856772055.db2.gz IBYWCVVYVARQEB-UHFFFAOYSA-N 1 0 377.479 3.894 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](O)[C@H]3CCc3ccccc3)o2)c1 ZINC000592168674 856773479 /nfs/dbraw/zinc/77/34/79/856773479.db2.gz UVIQWHHHTUGSHA-RTWAWAEBSA-N 1 0 388.471 3.566 20 30 GHEDRO CN(C(=O)CN(Cc1ccc(C#N)cc1)C1CC1)c1nc2ccccc2s1 ZINC000173260732 856822670 /nfs/dbraw/zinc/82/26/70/856822670.db2.gz FFGNQANSVRLUAW-UHFFFAOYSA-N 1 0 376.485 3.795 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000592379065 856823077 /nfs/dbraw/zinc/82/30/77/856823077.db2.gz LAWTYQCSDSHULB-GOSISDBHSA-N 1 0 389.421 3.580 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)CC1 ZINC000111495993 856936199 /nfs/dbraw/zinc/93/61/99/856936199.db2.gz ZQULQUAJVLTFGO-SFHVURJKSA-N 1 0 388.556 3.735 20 30 GHEDRO N#Cc1sc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1Cl ZINC000888406484 856949618 /nfs/dbraw/zinc/94/96/18/856949618.db2.gz BTHDHKXNWSDRMR-JTQLQIEISA-N 1 0 381.914 3.688 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc(OC)c1O ZINC000733323002 862865129 /nfs/dbraw/zinc/86/51/29/862865129.db2.gz ZWYUVWFTMBYJIM-UHFFFAOYSA-N 1 0 380.488 3.655 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000733324562 862866504 /nfs/dbraw/zinc/86/65/04/862866504.db2.gz KNVKCRKCIQCWHK-UHFFFAOYSA-N 1 0 390.527 3.802 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000112521939 857144180 /nfs/dbraw/zinc/14/41/80/857144180.db2.gz PWZRMXDPKYHCPC-OLZOCXBDSA-N 1 0 396.516 3.745 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000766109878 857186473 /nfs/dbraw/zinc/18/64/73/857186473.db2.gz UAZIJCKSJBXIRB-IFXJQAMLSA-N 1 0 387.863 3.507 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC000888412786 857190798 /nfs/dbraw/zinc/19/07/98/857190798.db2.gz VDLWBEJPERCXBM-OLZOCXBDSA-N 1 0 381.933 3.786 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NCCc3ccccn3)cc2)CC1 ZINC000906597585 857192994 /nfs/dbraw/zinc/19/29/94/857192994.db2.gz NXFOHMTUOSSTOD-UHFFFAOYSA-N 1 0 378.520 3.507 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000174129241 857214202 /nfs/dbraw/zinc/21/42/02/857214202.db2.gz KPLLLTYRGPROCH-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC2=CCCOC2)cc1OC ZINC000668567218 857228576 /nfs/dbraw/zinc/22/85/76/857228576.db2.gz DLGKBGBFWOXDCY-UHFFFAOYSA-N 1 0 382.298 3.801 20 30 GHEDRO Cc1sc([C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000574150608 857237379 /nfs/dbraw/zinc/23/73/79/857237379.db2.gz DNBBKKBCRAHMRK-CXAGYDPISA-N 1 0 392.956 3.629 20 30 GHEDRO Cc1sc([C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000574150617 857237744 /nfs/dbraw/zinc/23/77/44/857237744.db2.gz DNBBKKBCRAHMRK-SUMWQHHRSA-N 1 0 392.956 3.629 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(F)c(OC(F)F)c(F)c3)cc2C#N)CC1 ZINC001212451841 857247367 /nfs/dbraw/zinc/24/73/67/857247367.db2.gz GYIKCUXURQVUGF-UHFFFAOYSA-N 1 0 394.372 3.933 20 30 GHEDRO CCn1cc(C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)C)cn1 ZINC000593083036 857318390 /nfs/dbraw/zinc/31/83/90/857318390.db2.gz UCVVVRZMJFDILG-UHFFFAOYSA-N 1 0 399.564 3.954 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000906792232 857318618 /nfs/dbraw/zinc/31/86/18/857318618.db2.gz JISJBYWMIPMUJJ-GCJKJVERSA-N 1 0 381.545 3.978 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000282218503 857413350 /nfs/dbraw/zinc/41/33/50/857413350.db2.gz IJHROZGJHVUDRR-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(C(C)(C)C#N)cc3)ccc21 ZINC000593281461 857448365 /nfs/dbraw/zinc/44/83/65/857448365.db2.gz SLILJZAHGFJPRM-HXUWFJFHSA-N 1 0 383.517 3.837 20 30 GHEDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000593278349 857476703 /nfs/dbraw/zinc/47/67/03/857476703.db2.gz LIALMRXOCXMVKG-UHFFFAOYSA-N 1 0 397.544 3.777 20 30 GHEDRO C=C(CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000672670567 857574060 /nfs/dbraw/zinc/57/40/60/857574060.db2.gz HIYKDTRXTZAYKC-JOCHJYFZSA-N 1 0 379.504 3.845 20 30 GHEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000181573445 862926827 /nfs/dbraw/zinc/92/68/27/862926827.db2.gz OWAKUBPQVPSSQX-UTKZUKDTSA-N 1 0 383.517 3.922 20 30 GHEDRO Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000592499581 857575810 /nfs/dbraw/zinc/57/58/10/857575810.db2.gz LMCKHNLSHTYHRX-UHFFFAOYSA-N 1 0 376.460 3.904 20 30 GHEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000521095385 857613792 /nfs/dbraw/zinc/61/37/92/857613792.db2.gz ROGZLDPLALYKNY-FQEVSTJZSA-N 1 0 394.475 3.610 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593534631 857616236 /nfs/dbraw/zinc/61/62/36/857616236.db2.gz NSAXRJUEMGVNGF-UHFFFAOYSA-N 1 0 399.560 3.808 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000521124352 857623401 /nfs/dbraw/zinc/62/34/01/857623401.db2.gz KWSAMCGPZUPFSW-OAQYLSRUSA-N 1 0 396.491 3.904 20 30 GHEDRO C=CCN1CC[C@@H]([NH+]2CCC(C)(c3cccc(Br)c3)CC2)C1=O ZINC000499597627 857677971 /nfs/dbraw/zinc/67/79/71/857677971.db2.gz CQYHFLWSEUZDIT-QGZVFWFLSA-N 1 0 377.326 3.590 20 30 GHEDRO C=CCSc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000486365870 857682857 /nfs/dbraw/zinc/68/28/57/857682857.db2.gz NRYCDWKQICTRGJ-UHFFFAOYSA-N 1 0 396.556 3.851 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)COc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000521177888 857707101 /nfs/dbraw/zinc/70/71/01/857707101.db2.gz PCRGJAPUNXECTQ-RXVVDRJESA-N 1 0 379.504 3.819 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]CCOc3ccc(C#N)cc3)CCN2C2CC2)c1 ZINC000574416071 857793468 /nfs/dbraw/zinc/79/34/68/857793468.db2.gz IEUBPQHPPIGCMV-GOTSBHOMSA-N 1 0 377.488 3.513 20 30 GHEDRO Cc1cc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc(C)c1C#N ZINC000907873567 857833045 /nfs/dbraw/zinc/83/30/45/857833045.db2.gz OSLCZCMALIHARS-UHFFFAOYSA-N 1 0 379.426 3.710 20 30 GHEDRO C[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1ccc(C#N)cc1 ZINC000521300618 857848439 /nfs/dbraw/zinc/84/84/39/857848439.db2.gz BCKPYZWHPSAVPB-SFHVURJKSA-N 1 0 398.551 3.732 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCCO1 ZINC000594045034 857851952 /nfs/dbraw/zinc/85/19/52/857851952.db2.gz WMFDHEXLXLEZIA-RYRKJORJSA-N 1 0 375.538 3.814 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000059000814 857905185 /nfs/dbraw/zinc/90/51/85/857905185.db2.gz YORLVRMRFNYOMY-UHFFFAOYSA-N 1 0 385.508 3.521 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000066187347 857994388 /nfs/dbraw/zinc/99/43/88/857994388.db2.gz MEIAZXNAAGFTQS-QFIPXVFZSA-N 1 0 378.520 3.651 20 30 GHEDRO N#C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000594286801 858028271 /nfs/dbraw/zinc/02/82/71/858028271.db2.gz YLGRNIQLJCWHGX-WMLDXEAASA-N 1 0 398.359 3.892 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000466055492 858064347 /nfs/dbraw/zinc/06/43/47/858064347.db2.gz ZBTWLZGNXCZRFN-JTSKRJEESA-N 1 0 394.494 3.892 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000594357757 858102307 /nfs/dbraw/zinc/10/23/07/858102307.db2.gz MNJWJXINFICCLE-UZLBHIALSA-N 1 0 383.923 3.852 20 30 GHEDRO CCC[C@@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001127162179 858145362 /nfs/dbraw/zinc/14/53/62/858145362.db2.gz OGVUZWFUPZUULA-WMTXJRDZSA-N 1 0 375.516 3.885 20 30 GHEDRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594430180 858175667 /nfs/dbraw/zinc/17/56/67/858175667.db2.gz ZYILPRASAANTTK-GOSISDBHSA-N 1 0 379.464 3.989 20 30 GHEDRO COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594433676 858176209 /nfs/dbraw/zinc/17/62/09/858176209.db2.gz QNJHSPZOVVIYDZ-QAPCUYQASA-N 1 0 377.916 3.541 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C1CCCCC1)C2 ZINC000594446749 858178938 /nfs/dbraw/zinc/17/89/38/858178938.db2.gz XFXTXDAMQSPUPG-FGZHOGPDSA-N 1 0 383.536 3.940 20 30 GHEDRO CCN(C(=O)Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1)c1ccccc1 ZINC000594427389 858185109 /nfs/dbraw/zinc/18/51/09/858185109.db2.gz IOYPFMGCLCWVNY-NRFANRHFSA-N 1 0 392.503 3.632 20 30 GHEDRO COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442874595 858191624 /nfs/dbraw/zinc/19/16/24/858191624.db2.gz RDVOXEIHQYBLSJ-KOLCDFICSA-N 1 0 390.652 3.735 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000594503098 858194504 /nfs/dbraw/zinc/19/45/04/858194504.db2.gz SMCLPBBHWHNRDP-DEOSSOPVSA-N 1 0 377.532 3.604 20 30 GHEDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594520100 858207547 /nfs/dbraw/zinc/20/75/47/858207547.db2.gz YVWIDWWQMDWJAX-INIZCTEOSA-N 1 0 391.471 3.731 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000594536768 858214147 /nfs/dbraw/zinc/21/41/47/858214147.db2.gz GAYWGEGYQWCLGT-MRXNPFEDSA-N 1 0 376.460 3.895 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000594535365 858214307 /nfs/dbraw/zinc/21/43/07/858214307.db2.gz BSRDHABCKQETQP-MRXNPFEDSA-N 1 0 376.460 3.895 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3C[C@H](c4ccccc4)CO3)CC2)cc1 ZINC000594974586 858336102 /nfs/dbraw/zinc/33/61/02/858336102.db2.gz ALHLXUAROCNPQU-UPVQGACJSA-N 1 0 375.516 3.685 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H](CO)c3ccc(Br)c(F)c3)cc2)CC1 ZINC000594944394 858341925 /nfs/dbraw/zinc/34/19/25/858341925.db2.gz OUHBFFXMLJONQW-SFHVURJKSA-N 1 0 389.268 3.967 20 30 GHEDRO C[C@@](CO)([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000682527282 858348513 /nfs/dbraw/zinc/34/85/13/858348513.db2.gz DIPUMUGJVIBFEM-LBPRGKRZSA-N 1 0 395.290 3.717 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000181791685 863015948 /nfs/dbraw/zinc/01/59/48/863015948.db2.gz KNEPYMMCSFYFFE-UHFFFAOYSA-N 1 0 386.374 3.776 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Br)cs3)CC2)nc1 ZINC000067011033 858395021 /nfs/dbraw/zinc/39/50/21/858395021.db2.gz DABFWBYSPPPSAQ-UHFFFAOYSA-N 1 0 377.311 3.536 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000595250407 858452469 /nfs/dbraw/zinc/45/24/69/858452469.db2.gz RNNAJFDKGKANPK-LJQANCHMSA-N 1 0 379.460 3.802 20 30 GHEDRO N#CCC[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000595269120 858457823 /nfs/dbraw/zinc/45/78/23/858457823.db2.gz OUTFNUSZFGANLU-ACRUOGEOSA-N 1 0 380.467 3.615 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000521960397 858487757 /nfs/dbraw/zinc/48/77/57/858487757.db2.gz SKIGSCAIRDSNIL-NRFANRHFSA-N 1 0 383.467 3.666 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000521969617 858494656 /nfs/dbraw/zinc/49/46/56/858494656.db2.gz XQFMUNCHNFRGGD-SFHVURJKSA-N 1 0 378.476 3.596 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C[NH+]1CCCC1 ZINC000115338352 858497083 /nfs/dbraw/zinc/49/70/83/858497083.db2.gz FPYDTLKELAHJLC-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000115384284 858514907 /nfs/dbraw/zinc/51/49/07/858514907.db2.gz UDVVZBYUWSWCKG-UHFFFAOYSA-N 1 0 391.515 3.941 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC000522012867 858525342 /nfs/dbraw/zinc/52/53/42/858525342.db2.gz YUILLXVYSMOZFO-SFHVURJKSA-N 1 0 386.293 3.548 20 30 GHEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCC(C)CC1 ZINC000522074060 858592780 /nfs/dbraw/zinc/59/27/80/858592780.db2.gz QTSKKXAVNRNWEY-KMFTYDHNSA-N 1 0 398.551 3.668 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000575219813 858608163 /nfs/dbraw/zinc/60/81/63/858608163.db2.gz LRKQWJVBJCRKIE-UYAOXDASSA-N 1 0 390.535 3.949 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000575165495 858614181 /nfs/dbraw/zinc/61/41/81/858614181.db2.gz OCOJBOYNCUHXEM-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO CN(C(=O)CN1CCC[C@@H](CC#N)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000595617319 858619064 /nfs/dbraw/zinc/61/90/64/858619064.db2.gz YKHOJAKNBSLOEI-FDDCHVKYSA-N 1 0 379.479 3.999 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H](CC#N)C2)c1C#N ZINC000595609145 858630073 /nfs/dbraw/zinc/63/00/73/858630073.db2.gz GVBVLPWVZYSGGC-GOSISDBHSA-N 1 0 393.491 3.572 20 30 GHEDRO COc1ccccc1[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)[NH+]1CCCC1 ZINC000443408481 858631788 /nfs/dbraw/zinc/63/17/88/858631788.db2.gz KVBLVBCRORWTGF-QGZVFWFLSA-N 1 0 390.409 3.652 20 30 GHEDRO CCOC(=O)c1sc(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1C ZINC000595641366 858635553 /nfs/dbraw/zinc/63/55/53/858635553.db2.gz JXWCXVCYYTVHOL-UHFFFAOYSA-N 1 0 385.489 3.568 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(F)cc3Cl)CCOCC2)c1 ZINC000595765277 858663132 /nfs/dbraw/zinc/66/31/32/858663132.db2.gz QBUQFDHVZIBHAX-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)cc3-n3cncn3)CCOCC2)c1 ZINC000595768578 858664948 /nfs/dbraw/zinc/66/49/48/858664948.db2.gz IEZCYHOKALMRDP-UHFFFAOYSA-N 1 0 393.878 3.588 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595870579 858720681 /nfs/dbraw/zinc/72/06/81/858720681.db2.gz KJTIVGJMPKBGQP-FCHUYYIVSA-N 1 0 380.536 3.590 20 30 GHEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccccc2I)CC1 ZINC000482637822 858725978 /nfs/dbraw/zinc/72/59/78/858725978.db2.gz YFIHDSFFJUWCOB-CQSZACIVSA-N 1 0 384.305 3.982 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](O)C34CCCC4)c2)CC1 ZINC000330353714 863059001 /nfs/dbraw/zinc/05/90/01/863059001.db2.gz OTWCIYBGCYUREG-NRFANRHFSA-N 1 0 385.552 3.712 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc4ncsc4c3)CC2)c1 ZINC000593143873 858773407 /nfs/dbraw/zinc/77/34/07/858773407.db2.gz QSUBQWQEYZMILW-UHFFFAOYSA-N 1 0 391.500 3.954 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)ccc1OC(F)F ZINC000025222123 858775883 /nfs/dbraw/zinc/77/58/83/858775883.db2.gz HPRRRGBQIYHNKW-UHFFFAOYSA-N 1 0 395.431 3.690 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4cn[nH]c4)CC3)sc2C1 ZINC000506616437 858789601 /nfs/dbraw/zinc/78/96/01/858789601.db2.gz DJGZDIFJPHGEDN-AWEZNQCLSA-N 1 0 397.548 3.676 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](O)C23CCCC3)C1 ZINC000330359543 863066423 /nfs/dbraw/zinc/06/64/23/863066423.db2.gz WEAHSPHOBNPYSU-WIYYLYMNSA-N 1 0 385.552 3.712 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc4scnc4c3)CC2)c1 ZINC000593151525 858812265 /nfs/dbraw/zinc/81/22/65/858812265.db2.gz YYAMRKHQYBJMCW-UHFFFAOYSA-N 1 0 391.500 3.954 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067979194 858816327 /nfs/dbraw/zinc/81/63/27/858816327.db2.gz ICDAMPYRCSBCDH-KDURUIRLSA-N 1 0 394.515 3.791 20 30 GHEDRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1cc2ccccc2o1 ZINC000328863350 858838655 /nfs/dbraw/zinc/83/86/55/858838655.db2.gz ZFTSKBWZIXDRNS-WAARBJQMSA-N 1 0 386.492 3.701 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)sc2c1CCC2 ZINC000060090364 858847507 /nfs/dbraw/zinc/84/75/07/858847507.db2.gz WQARXNWJEMPATB-MRXNPFEDSA-N 1 0 399.516 3.711 20 30 GHEDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000439269822 858886310 /nfs/dbraw/zinc/88/63/10/858886310.db2.gz DOWMRVQAUGCBFY-QHCPKHFHSA-N 1 0 380.488 3.883 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000596438939 858897513 /nfs/dbraw/zinc/89/75/13/858897513.db2.gz AODGBARXEAQYCV-QGZVFWFLSA-N 1 0 397.548 3.847 20 30 GHEDRO C[C@@H](C1CC1)n1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593183759 858906651 /nfs/dbraw/zinc/90/66/51/858906651.db2.gz IZUPEMZWHUHXCM-INIZCTEOSA-N 1 0 392.507 3.512 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000467677115 858959520 /nfs/dbraw/zinc/95/95/20/858959520.db2.gz PWEWUJRNRPWHRB-UHFFFAOYSA-N 1 0 377.488 3.695 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482929886 858987793 /nfs/dbraw/zinc/98/77/93/858987793.db2.gz PNHSVOQHVVHUCK-HSZRJFAPSA-N 1 0 395.543 3.533 20 30 GHEDRO Cc1c(Cl)cncc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593221606 859051225 /nfs/dbraw/zinc/05/12/25/859051225.db2.gz AAKYJLKDGDBGOD-UHFFFAOYSA-N 1 0 383.883 3.701 20 30 GHEDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000193350318 859153472 /nfs/dbraw/zinc/15/34/72/859153472.db2.gz WHSOEWFRLQWETP-NRFANRHFSA-N 1 0 386.417 3.914 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000764073566 859177516 /nfs/dbraw/zinc/17/75/16/859177516.db2.gz ZVGQRHLMXDSPGA-FQEVSTJZSA-N 1 0 377.488 3.542 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCN(c4ccsc4C#N)CC3)ccc21 ZINC000596926595 859178957 /nfs/dbraw/zinc/17/89/57/859178957.db2.gz STZQORSREXVVPT-GOSISDBHSA-N 1 0 395.532 3.523 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000596973916 859205019 /nfs/dbraw/zinc/20/50/19/859205019.db2.gz MSLRBONJOJGNGC-ICSRJNTNSA-N 1 0 375.463 3.664 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000596974778 859205897 /nfs/dbraw/zinc/20/58/97/859205897.db2.gz QUAKVUFQJZQJSX-HSZRJFAPSA-N 1 0 391.515 3.738 20 30 GHEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2)CC1 ZINC000596983380 859211250 /nfs/dbraw/zinc/21/12/50/859211250.db2.gz XPXQXAZJPHEHCX-IBGZPJMESA-N 1 0 375.520 3.939 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)CC2)cc1 ZINC000596995831 859236103 /nfs/dbraw/zinc/23/61/03/859236103.db2.gz LUQOMKRWYNCHGA-QHCPKHFHSA-N 1 0 378.472 3.769 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000601390794 859236631 /nfs/dbraw/zinc/23/66/31/859236631.db2.gz IIITZTAKBUBDKA-OXJNMPFZSA-N 1 0 385.870 3.968 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCC4(C[C@@H]4C(=O)N4CCCCC4)CC3)cc2)CC1 ZINC000597085545 859274537 /nfs/dbraw/zinc/27/45/37/859274537.db2.gz VPJLOFZPWJURAS-OAQYLSRUSA-N 1 0 377.532 3.856 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@H](CNC(=O)CC(F)(F)F)C3)cc2)CC1 ZINC000597128786 859303817 /nfs/dbraw/zinc/30/38/17/859303817.db2.gz LCJDYDDKFBMFTK-MRXNPFEDSA-N 1 0 379.426 3.522 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)Cc1ccccc1 ZINC000593305577 859350977 /nfs/dbraw/zinc/35/09/77/859350977.db2.gz KOIGWCRJBZBFKP-NRFANRHFSA-N 1 0 376.504 3.537 20 30 GHEDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597230277 859364568 /nfs/dbraw/zinc/36/45/68/859364568.db2.gz FJSXGQBLZQOFEL-QFIPXVFZSA-N 1 0 391.515 3.874 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cccc4[nH]ccc43)CC2)c1 ZINC000601622798 859386765 /nfs/dbraw/zinc/38/67/65/859386765.db2.gz YLZDRXLYQIRXPS-UHFFFAOYSA-N 1 0 387.487 3.503 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000597279502 859401627 /nfs/dbraw/zinc/40/16/27/859401627.db2.gz WKDPCSANEPCMOV-CRAIPNDOSA-N 1 0 383.442 3.962 20 30 GHEDRO C#CCC(CC#C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000764442528 859451300 /nfs/dbraw/zinc/45/13/00/859451300.db2.gz KOOJZHGWOULGKA-UHFFFAOYSA-N 1 0 379.331 3.937 20 30 GHEDRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000483562841 859452357 /nfs/dbraw/zinc/45/23/57/859452357.db2.gz DPQROWFQCOCRFO-UHFFFAOYSA-N 1 0 375.451 3.514 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H](F)[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170360240 881424106 /nfs/dbraw/zinc/42/41/06/881424106.db2.gz UKLMWFBXVBXDRR-IDPGXWOASA-N 1 0 387.499 3.938 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)CC1 ZINC000114172995 859470179 /nfs/dbraw/zinc/47/01/79/859470179.db2.gz DLMZEDFEGRAQMW-UHFFFAOYSA-N 1 0 392.503 3.763 20 30 GHEDRO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170361854 881425907 /nfs/dbraw/zinc/42/59/07/881425907.db2.gz IFWDUARWGLNIAC-GLCVTWPJSA-N 1 0 399.535 3.614 20 30 GHEDRO CC[C@H]1CCCC[C@H]1OCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593350729 859524570 /nfs/dbraw/zinc/52/45/70/859524570.db2.gz FAXIMECFCFTOEB-RBBKRZOGSA-N 1 0 383.536 3.624 20 30 GHEDRO Cc1cccc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1Cl ZINC000593350756 859525538 /nfs/dbraw/zinc/52/55/38/859525538.db2.gz GCHIMMXVLSJSOS-UHFFFAOYSA-N 1 0 381.907 3.843 20 30 GHEDRO CC(C)(C)c1cnc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593351710 859531798 /nfs/dbraw/zinc/53/17/98/859531798.db2.gz RIUZPDYSSSTXHW-UHFFFAOYSA-N 1 0 394.519 3.557 20 30 GHEDRO Cc1ccc(C(C)(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593352490 859535064 /nfs/dbraw/zinc/53/50/64/859535064.db2.gz BYKZEZKVMDDJBM-UHFFFAOYSA-N 1 0 375.516 3.925 20 30 GHEDRO CC(C)(Oc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352585 859535758 /nfs/dbraw/zinc/53/57/58/859535758.db2.gz JGBWEKBWRBVIMM-UHFFFAOYSA-N 1 0 395.478 3.636 20 30 GHEDRO CC(C)COc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593353132 859537835 /nfs/dbraw/zinc/53/78/35/859537835.db2.gz OEZKRUUUFQSVMO-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO CC[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593355694 859545308 /nfs/dbraw/zinc/54/53/08/859545308.db2.gz YJBJNYGBXNVTOC-QFIPXVFZSA-N 1 0 375.516 3.908 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3cccc(Cl)c3)CC2)c1 ZINC000593353234 859546652 /nfs/dbraw/zinc/54/66/52/859546652.db2.gz QYXGZDRIWNJISR-UHFFFAOYSA-N 1 0 381.907 3.925 20 30 GHEDRO C[C@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1F ZINC000593354655 859556090 /nfs/dbraw/zinc/55/60/90/859556090.db2.gz JSVFKXJJUDJHFX-QGZVFWFLSA-N 1 0 379.479 3.972 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC)Oc2ccccc2Cl)CC1 ZINC000483751859 859589399 /nfs/dbraw/zinc/58/93/99/859589399.db2.gz LKIZMILEFZLURU-KRWDZBQOSA-N 1 0 379.932 3.837 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000611051282 859590749 /nfs/dbraw/zinc/59/07/49/859590749.db2.gz CWZQINYRLUKOOG-QHCPKHFHSA-N 1 0 394.563 3.642 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CC2)CC1 ZINC000611058742 859591537 /nfs/dbraw/zinc/59/15/37/859591537.db2.gz ADKSQNBJKJZHEU-BBHUYCHWSA-N 1 0 394.563 3.686 20 30 GHEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611089477 859600839 /nfs/dbraw/zinc/60/08/39/859600839.db2.gz MQDMNVNRDONFBI-NRFANRHFSA-N 1 0 388.508 3.670 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000060610667 859660509 /nfs/dbraw/zinc/66/05/09/859660509.db2.gz AMGLJEYNRVOTDQ-JOCHJYFZSA-N 1 0 376.504 3.831 20 30 GHEDRO CN(c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000611255182 859667702 /nfs/dbraw/zinc/66/77/02/859667702.db2.gz YSBKHOBOZYCHLX-UHFFFAOYSA-N 1 0 397.544 3.576 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000922341886 859680251 /nfs/dbraw/zinc/68/02/51/859680251.db2.gz VXJSGMYTVUTWRY-QGZVFWFLSA-N 1 0 393.325 3.776 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1)CC1CC1 ZINC000611300833 859686046 /nfs/dbraw/zinc/68/60/46/859686046.db2.gz AVMAEKDIDZTJTP-UHFFFAOYSA-N 1 0 386.515 3.741 20 30 GHEDRO CC(C)OC1CCC(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593384193 859694809 /nfs/dbraw/zinc/69/48/09/859694809.db2.gz VVEBEHZMRRTFIN-UHFFFAOYSA-N 1 0 398.551 3.558 20 30 GHEDRO C[C@@H](CC#N)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000597685231 859727309 /nfs/dbraw/zinc/72/73/09/859727309.db2.gz PWAKOSCZFZTRPP-SIKLNZKXSA-N 1 0 376.504 3.625 20 30 GHEDRO C[C@H](CC#N)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000597685229 859727524 /nfs/dbraw/zinc/72/75/24/859727524.db2.gz PWAKOSCZFZTRPP-DENIHFKCSA-N 1 0 376.504 3.625 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000611385765 859730776 /nfs/dbraw/zinc/73/07/76/859730776.db2.gz HMQUBZHFYKUKFB-SFHVURJKSA-N 1 0 391.475 3.695 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1C ZINC000765002481 859730871 /nfs/dbraw/zinc/73/08/71/859730871.db2.gz UBEDNWXCYKMNLV-OAQYLSRUSA-N 1 0 376.504 3.510 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc(C#N)c1 ZINC000611388390 859732030 /nfs/dbraw/zinc/73/20/30/859732030.db2.gz HJRRWSRHGJRTRS-MRXNPFEDSA-N 1 0 385.471 3.911 20 30 GHEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000611387718 859733395 /nfs/dbraw/zinc/73/33/95/859733395.db2.gz FSZHKLBEYRQPBN-HRAATJIYSA-N 1 0 393.487 3.590 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000611396762 859736894 /nfs/dbraw/zinc/73/68/94/859736894.db2.gz JNGHFDIDWNEHQE-GOSISDBHSA-N 1 0 391.393 3.883 20 30 GHEDRO C[C@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391256 859742321 /nfs/dbraw/zinc/74/23/21/859742321.db2.gz LIKPGQIJZJRFGM-MHECFPHRSA-N 1 0 375.516 3.946 20 30 GHEDRO COC(=O)C(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000611406083 859743268 /nfs/dbraw/zinc/74/32/68/859743268.db2.gz VBMQBTFOPZQMLL-IBGZPJMESA-N 1 0 399.878 3.680 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000484005885 859749045 /nfs/dbraw/zinc/74/90/45/859749045.db2.gz BSQPFHDVVDYWSA-UHFFFAOYSA-N 1 0 382.483 3.751 20 30 GHEDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCCN1c1ccc(C#N)cc1)CC2 ZINC000597703098 859750672 /nfs/dbraw/zinc/75/06/72/859750672.db2.gz CBTUGKQEVDAWJK-JOCHJYFZSA-N 1 0 394.563 3.640 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474285959 859758198 /nfs/dbraw/zinc/75/81/98/859758198.db2.gz CELLWWIMLJFLOU-MRXNPFEDSA-N 1 0 375.538 3.552 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000543449944 859760394 /nfs/dbraw/zinc/76/03/94/859760394.db2.gz WKWWHZBSSCLUQZ-UHFFFAOYSA-N 1 0 386.499 3.835 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](Cn3cccn3)c3ccccc3)CC2)cc1 ZINC000611438584 859761348 /nfs/dbraw/zinc/76/13/48/859761348.db2.gz LALVBQUIFBZLBO-XMMPIXPASA-N 1 0 385.515 3.750 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCc4cc(C#N)ccc43)nc2)CC1 ZINC000611475638 859774361 /nfs/dbraw/zinc/77/43/61/859774361.db2.gz PPOKCXHWHCFAGD-QFIPXVFZSA-N 1 0 375.520 3.973 20 30 GHEDRO N#CC1(NC(=O)C/C=C\c2ccccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000611498593 859785733 /nfs/dbraw/zinc/78/57/33/859785733.db2.gz WAYVRBJGFCQHIY-POHAHGRESA-N 1 0 377.463 3.904 20 30 GHEDRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000611512965 859795228 /nfs/dbraw/zinc/79/52/28/859795228.db2.gz JQFYSKVCDYGPDH-NPPFBWRTSA-N 1 0 376.504 3.829 20 30 GHEDRO COc1cccc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1Cl ZINC000597817809 859827880 /nfs/dbraw/zinc/82/78/80/859827880.db2.gz AXKVSNAXTYPPJW-UHFFFAOYSA-N 1 0 397.906 3.544 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1 ZINC000508435593 859905418 /nfs/dbraw/zinc/90/54/18/859905418.db2.gz OIYGLUSAGRPACS-UHFFFAOYSA-N 1 0 381.520 3.833 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000091792428 859934092 /nfs/dbraw/zinc/93/40/92/859934092.db2.gz YSDCBDRGNKDHBN-UHFFFAOYSA-N 1 0 375.451 3.800 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000161435014 859953684 /nfs/dbraw/zinc/95/36/84/859953684.db2.gz LAMKEIWKSWSXPE-FQEVSTJZSA-N 1 0 375.472 3.585 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602375501 859992086 /nfs/dbraw/zinc/99/20/86/859992086.db2.gz QBBUOVWNZKJWDF-MRXNPFEDSA-N 1 0 383.323 3.931 20 30 GHEDRO N#Cc1ccc(Br)c(CNCc2ccccc2CN2CCCC2=O)c1 ZINC000921521267 860005310 /nfs/dbraw/zinc/00/53/10/860005310.db2.gz KYCVOTHWOORMBJ-UHFFFAOYSA-N 1 0 398.304 3.733 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000499353160 860007068 /nfs/dbraw/zinc/00/70/68/860007068.db2.gz VBZAWLGJHLKIDT-UHFFFAOYSA-N 1 0 388.364 3.921 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000602517493 860068412 /nfs/dbraw/zinc/06/84/12/860068412.db2.gz CMIMCDVQKFBZNA-KRWDZBQOSA-N 1 0 378.476 3.522 20 30 GHEDRO CCN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H](C)c1cccnc1 ZINC000593511340 860071776 /nfs/dbraw/zinc/07/17/76/860071776.db2.gz LNDUPBGPFOGRGY-SFHVURJKSA-N 1 0 391.519 3.710 20 30 GHEDRO N#Cc1cccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 ZINC000602520513 860072717 /nfs/dbraw/zinc/07/27/17/860072717.db2.gz HDWFXKKICPCVHN-UHFFFAOYSA-N 1 0 375.394 3.810 20 30 GHEDRO CC(C)(C)[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593513203 860083294 /nfs/dbraw/zinc/08/32/94/860083294.db2.gz FEQVUALSVHUFNR-HXUWFJFHSA-N 1 0 382.552 3.990 20 30 GHEDRO N#Cc1c(Br)cccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000555136369 860089499 /nfs/dbraw/zinc/08/94/99/860089499.db2.gz VVQOXTHPTAUQRN-UHFFFAOYSA-N 1 0 392.341 3.650 20 30 GHEDRO N#CC1CCC([NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000602548067 860094686 /nfs/dbraw/zinc/09/46/86/860094686.db2.gz WMMAKCBRJWFJEV-UHFFFAOYSA-N 1 0 394.519 3.613 20 30 GHEDRO CCN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000593515101 860096861 /nfs/dbraw/zinc/09/68/61/860096861.db2.gz HTRPJBQYZCCQBP-OAQYLSRUSA-N 1 0 398.551 3.512 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC000598195741 860123893 /nfs/dbraw/zinc/12/38/93/860123893.db2.gz RGHKITNKYUOYNS-XZOQPEGZSA-N 1 0 375.516 3.534 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000555151419 860127256 /nfs/dbraw/zinc/12/72/56/860127256.db2.gz XTHHFNHURVQUSN-KRWDZBQOSA-N 1 0 383.517 3.912 20 30 GHEDRO COc1cc(C)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000092854387 860147221 /nfs/dbraw/zinc/14/72/21/860147221.db2.gz VDFNADOAEUDMSZ-UHFFFAOYSA-N 1 0 381.476 3.759 20 30 GHEDRO COCCCOc1cccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000092854224 860147494 /nfs/dbraw/zinc/14/74/94/860147494.db2.gz NIDGIGFEYKRUPA-UHFFFAOYSA-N 1 0 395.503 3.848 20 30 GHEDRO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170394986 881509480 /nfs/dbraw/zinc/50/94/80/881509480.db2.gz DTQICQJABFFTDF-ZPGVXSSASA-N 1 0 397.563 3.786 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508946938 860204925 /nfs/dbraw/zinc/20/49/25/860204925.db2.gz VIUJBRMIJVNFBY-HXUWFJFHSA-N 1 0 397.567 3.935 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)CC1 ZINC000328772807 860231158 /nfs/dbraw/zinc/23/11/58/860231158.db2.gz BGTFDJHXFJWXLF-HXUWFJFHSA-N 1 0 390.487 3.549 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000484658841 860234127 /nfs/dbraw/zinc/23/41/27/860234127.db2.gz XLBZWEKXUBNSJB-WWPVKYPJSA-N 1 0 380.488 3.586 20 30 GHEDRO COc1ccc(CN(C)Cc2nc3ccccc3n2C)cc1OCCCC#N ZINC000093364070 860258493 /nfs/dbraw/zinc/25/84/93/860258493.db2.gz AFUXFTVUNBQWRZ-UHFFFAOYSA-N 1 0 378.476 3.896 20 30 GHEDRO COc1ccc(N2CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)nc1 ZINC001170399209 881532991 /nfs/dbraw/zinc/53/29/91/881532991.db2.gz ZTXYAZSWCHFZDQ-UHFFFAOYSA-N 1 0 376.504 3.616 20 30 GHEDRO Cc1c([N-][NH+]=Cc2ccccc2N(C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000727973224 860346507 /nfs/dbraw/zinc/34/65/07/860346507.db2.gz FZXULDPQSWNVSS-UHFFFAOYSA-N 1 0 381.480 3.880 20 30 GHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3ccc(C#N)cn3)CC2)C1=O ZINC000602906435 860358316 /nfs/dbraw/zinc/35/83/16/860358316.db2.gz IPWYVOPGFMYWJG-ZHRRBRCNSA-N 1 0 392.478 3.634 20 30 GHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc21 ZINC000155024852 860367108 /nfs/dbraw/zinc/36/71/08/860367108.db2.gz AABOAKLZNJRKCX-UHFFFAOYSA-N 1 0 390.487 3.871 20 30 GHEDRO C=CCN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1cccs1 ZINC000060942808 860381324 /nfs/dbraw/zinc/38/13/24/860381324.db2.gz FIIGPOIVKVAMHA-UHFFFAOYSA-N 1 0 380.460 3.996 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N2CCCC2)o1 ZINC000552252189 860409634 /nfs/dbraw/zinc/40/96/34/860409634.db2.gz DWMCIUBNWICAJM-QFIPXVFZSA-N 1 0 378.520 3.855 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000552248598 860409848 /nfs/dbraw/zinc/40/98/48/860409848.db2.gz MNMCIJOMBBNGKF-UHFFFAOYSA-N 1 0 389.478 3.684 20 30 GHEDRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593923 860437013 /nfs/dbraw/zinc/43/70/13/860437013.db2.gz CUBDUEUVOSFOOZ-RTWAWAEBSA-N 1 0 386.536 3.736 20 30 GHEDRO C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000499998762 860439725 /nfs/dbraw/zinc/43/97/25/860439725.db2.gz UGIQWUTUFMZUSO-OAQYLSRUSA-N 1 0 393.487 3.526 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1C)C(=S)NCC(F)(F)F ZINC000170637245 860492230 /nfs/dbraw/zinc/49/22/30/860492230.db2.gz NHRMOODXRDSLAB-UHFFFAOYSA-O 1 0 381.443 3.936 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000155421599 860508295 /nfs/dbraw/zinc/50/82/95/860508295.db2.gz RLWZVMAUYOWHOS-UHFFFAOYSA-N 1 0 399.922 3.677 20 30 GHEDRO COc1cccc([C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c2cc(F)ccc2OC)c1 ZINC000598720370 860528025 /nfs/dbraw/zinc/52/80/25/860528025.db2.gz OLGSQPGGJZYKII-UTKZUKDTSA-N 1 0 386.467 3.823 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000509014013 860546081 /nfs/dbraw/zinc/54/60/81/860546081.db2.gz WBHSEPUSWYQLQV-GOSISDBHSA-N 1 0 385.581 3.766 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170383281 881558812 /nfs/dbraw/zinc/55/88/12/881558812.db2.gz KETIIQSUPMLOQM-RGKVJVKCSA-N 1 0 381.520 3.845 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001170383285 881559233 /nfs/dbraw/zinc/55/92/33/881559233.db2.gz KLDPTGUFACJVJR-FFMTYJSISA-N 1 0 386.543 3.849 20 30 GHEDRO Cc1c(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cnn1CCC#N ZINC000896293069 860633195 /nfs/dbraw/zinc/63/31/95/860633195.db2.gz ADKUZJAUIOAUHT-YLJYHZDGSA-N 1 0 381.524 3.601 20 30 GHEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000557025547 881563880 /nfs/dbraw/zinc/56/38/80/881563880.db2.gz KXSLNIBGIVIHGY-IBGZPJMESA-N 1 0 379.464 3.645 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000603408720 860689164 /nfs/dbraw/zinc/68/91/64/860689164.db2.gz OQZWBIDWSGIQSN-UHFFFAOYSA-N 1 0 382.277 3.515 20 30 GHEDRO CCOc1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c(F)cc1OC ZINC000598983432 860715036 /nfs/dbraw/zinc/71/50/36/860715036.db2.gz KWBNOPFATPZBLM-UHFFFAOYSA-N 1 0 384.451 3.900 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(C)CCOC2)cc1OCC ZINC000603515739 860785587 /nfs/dbraw/zinc/78/55/87/860785587.db2.gz GNPLRVCGWXMORG-GOSISDBHSA-N 1 0 384.314 3.929 20 30 GHEDRO Cc1nc(C(C)(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000061160663 860827557 /nfs/dbraw/zinc/82/75/57/860827557.db2.gz PUEGLOCLHBAKGG-UHFFFAOYSA-N 1 0 384.549 3.825 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NCc3csc(-c4ccccn4)n3)CC2)c1 ZINC000593693449 860904984 /nfs/dbraw/zinc/90/49/84/860904984.db2.gz ZXYOZLHFCBACQL-UHFFFAOYSA-N 1 0 389.528 3.831 20 30 GHEDRO Cn1c(=O)sc2cc(C[NH2+]CC#Cc3ccc(C(F)(F)F)cc3)ccc21 ZINC000192685230 860907808 /nfs/dbraw/zinc/90/78/08/860907808.db2.gz TUDQSXFMVXMJSH-UHFFFAOYSA-N 1 0 376.403 3.760 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000603645824 860949521 /nfs/dbraw/zinc/94/95/21/860949521.db2.gz LAWMJPKRHNEOQT-OAQYLSRUSA-N 1 0 378.476 3.916 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C#N)nc1 ZINC000600097324 860964798 /nfs/dbraw/zinc/96/47/98/860964798.db2.gz BDOUZDHAVRQMJJ-UHFFFAOYSA-N 1 0 384.911 3.520 20 30 GHEDRO COc1cc(CCNC(=[NH2+])Nc2cccc(C(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000170909106 860967586 /nfs/dbraw/zinc/96/75/86/860967586.db2.gz ZRTURUPNIWDYJA-UHFFFAOYSA-N 1 0 386.452 3.705 20 30 GHEDRO CCC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H]1CCCCO1 ZINC000730261379 860981263 /nfs/dbraw/zinc/98/12/63/860981263.db2.gz IRDHZNXBARNOHZ-MSOLQXFVSA-N 1 0 378.476 3.505 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+][C@H](c3ccccc3)c3cncnc3)CC2)c1 ZINC000593722088 861013646 /nfs/dbraw/zinc/01/36/46/861013646.db2.gz PNCMUDLEOHDEHW-XMMPIXPASA-N 1 0 383.499 3.692 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599268662 861017857 /nfs/dbraw/zinc/01/78/57/861017857.db2.gz HSGOCJSJBFDBCG-LJQANCHMSA-N 1 0 381.520 3.727 20 30 GHEDRO O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329102200 861020374 /nfs/dbraw/zinc/02/03/74/861020374.db2.gz ZZCYCQNUATUSDB-RTBURBONSA-N 1 0 387.524 3.740 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C(C)(C)C)cc1 ZINC000599309499 861029324 /nfs/dbraw/zinc/02/93/24/861029324.db2.gz GRRNDXPHJSLVTC-HXUWFJFHSA-N 1 0 386.536 3.923 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000603687360 861041457 /nfs/dbraw/zinc/04/14/57/861041457.db2.gz SVLQCJHIHZVQCX-OAQYLSRUSA-N 1 0 379.529 3.745 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000603690499 861046690 /nfs/dbraw/zinc/04/66/90/861046690.db2.gz KMWRBIPJGYYMBN-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1COc2ccccc21 ZINC000185600519 861054076 /nfs/dbraw/zinc/05/40/76/861054076.db2.gz SOURIBAUFCLBAQ-DNVCBOLYSA-N 1 0 383.879 3.741 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccc(OC)cc2)cc1 ZINC000599318714 861058091 /nfs/dbraw/zinc/05/80/91/861058091.db2.gz WOWBRRIJRUEONS-DENIHFKCSA-N 1 0 380.488 3.632 20 30 GHEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)CC3(C#N)CCOCC3)cc2)cs1 ZINC000599348627 861084963 /nfs/dbraw/zinc/08/49/63/861084963.db2.gz ASLCAISPJWHGLO-DNVCBOLYSA-N 1 0 385.533 3.841 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000599349332 861087087 /nfs/dbraw/zinc/08/70/87/861087087.db2.gz GWSADANZIOEMSM-FXAWDEMLSA-N 1 0 380.488 3.980 20 30 GHEDRO COc1ccc(C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc2)cc1OC ZINC000599349368 861087534 /nfs/dbraw/zinc/08/75/34/861087534.db2.gz NSDFCWMDGYXUML-UXHICEINSA-N 1 0 380.488 3.632 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614720894 861093229 /nfs/dbraw/zinc/09/32/29/861093229.db2.gz FJMPFQLQHIFYCO-QFIPXVFZSA-N 1 0 382.504 3.556 20 30 GHEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)C1=O ZINC000329167243 861093262 /nfs/dbraw/zinc/09/32/62/861093262.db2.gz IMIFUZOXLLTICV-POGFHSRBSA-N 1 0 387.568 3.635 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000599353623 861094717 /nfs/dbraw/zinc/09/47/17/861094717.db2.gz KGVYPCBTXUJMLE-KXBFYZLASA-N 1 0 384.451 3.577 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599359512 861124255 /nfs/dbraw/zinc/12/42/55/861124255.db2.gz RJXXRJLYNYEIQE-MAUKXSAKSA-N 1 0 385.533 3.841 20 30 GHEDRO Cc1nnc(C)n1[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000730553504 861165415 /nfs/dbraw/zinc/16/54/15/861165415.db2.gz ZKUXTIIBPCWWGQ-LEGYYREDSA-N 1 0 397.910 3.846 20 30 GHEDRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C1CCN(CC#N)CC1 ZINC000730579134 861168131 /nfs/dbraw/zinc/16/81/31/861168131.db2.gz WEJVXZFKOPFSSA-UHFFFAOYSA-N 1 0 392.334 3.624 20 30 GHEDRO Cc1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)ncc1Br ZINC000600162149 861176084 /nfs/dbraw/zinc/17/60/84/861176084.db2.gz UVECFKQAUXPLMJ-UHFFFAOYSA-N 1 0 387.325 3.588 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](O)C23CCCC3)C1 ZINC000330359542 863066796 /nfs/dbraw/zinc/06/67/96/863066796.db2.gz WEAHSPHOBNPYSU-NQIIRXRSSA-N 1 0 385.552 3.712 20 30 GHEDRO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1C ZINC000609195559 881625882 /nfs/dbraw/zinc/62/58/82/881625882.db2.gz UVZKEOGKBWAFRY-OAQYLSRUSA-N 1 0 394.515 3.767 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000444022366 863144513 /nfs/dbraw/zinc/14/45/13/863144513.db2.gz QICRGBSKBLKNHG-RXVVDRJESA-N 1 0 398.551 3.837 20 30 GHEDRO CC(=O)N[C@H](C)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000482506872 863234798 /nfs/dbraw/zinc/23/47/98/863234798.db2.gz PYCLCWDXYKPBJV-GOSISDBHSA-N 1 0 391.515 3.874 20 30 GHEDRO C[C@]1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)OCCc2sccc21 ZINC000262379828 863373787 /nfs/dbraw/zinc/37/37/87/863373787.db2.gz OCPMBTANRFDPNO-MRXNPFEDSA-N 1 0 385.411 3.861 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)F)cc1F ZINC000593972584 863581003 /nfs/dbraw/zinc/58/10/03/863581003.db2.gz GEHQQUTVFANIDC-UHFFFAOYSA-N 1 0 375.394 3.839 20 30 GHEDRO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000444176215 863610565 /nfs/dbraw/zinc/61/05/65/863610565.db2.gz NWLKVFILXWHUJW-QGZVFWFLSA-N 1 0 396.922 3.919 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@H](C[NH+](C)C)C2)c1=S ZINC000172506312 863701203 /nfs/dbraw/zinc/70/12/03/863701203.db2.gz OGNAXKRLUWSFBU-HNNXBMFYSA-N 1 0 391.972 3.761 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)c2)CC1 ZINC000594006754 863727757 /nfs/dbraw/zinc/72/77/57/863727757.db2.gz ATTYQPZDITZNMF-GOSISDBHSA-N 1 0 376.504 3.517 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000594021268 863761130 /nfs/dbraw/zinc/76/11/30/863761130.db2.gz QWUNAWSDSWKMEY-UHFFFAOYSA-N 1 0 388.581 3.633 20 30 GHEDRO CCCOc1ccc(CNC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594031902 863801574 /nfs/dbraw/zinc/80/15/74/863801574.db2.gz NWNQGJYSPSAZMY-UHFFFAOYSA-N 1 0 377.488 3.632 20 30 GHEDRO CC(C)Oc1ccc(CCNC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032075 863802829 /nfs/dbraw/zinc/80/28/29/863802829.db2.gz OMCJCWSLLUZFQK-UHFFFAOYSA-N 1 0 391.515 3.673 20 30 GHEDRO C=CCn1c(C)cc(C(=O)CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c1C ZINC000177554607 863854068 /nfs/dbraw/zinc/85/40/68/863854068.db2.gz HAYWNGMFSNEFKI-IBGZPJMESA-N 1 0 395.551 3.671 20 30 GHEDRO C=CCN(C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)[C@H](C)COC ZINC000667605410 863923911 /nfs/dbraw/zinc/92/39/11/863923911.db2.gz GONCESUTMUZFMZ-CQSZACIVSA-N 1 0 388.537 3.945 20 30 GHEDRO CCOC(=O)CC(C)(C)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000554254690 863976667 /nfs/dbraw/zinc/97/66/67/863976667.db2.gz XZWDBRLZJDFSDR-UHFFFAOYSA-N 1 0 376.472 3.910 20 30 GHEDRO CN(C(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1)C1(C#N)CCCCC1 ZINC000103475067 864001627 /nfs/dbraw/zinc/00/16/27/864001627.db2.gz WQYYTHUTTRHJPW-UHFFFAOYSA-N 1 0 393.535 3.626 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000734162397 864040808 /nfs/dbraw/zinc/04/08/08/864040808.db2.gz KAGDICJXPCTOLV-UHFFFAOYSA-N 1 0 379.504 3.540 20 30 GHEDRO N#Cc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000101554603 864069814 /nfs/dbraw/zinc/06/98/14/864069814.db2.gz UIUUHFUFAQTQFW-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCCc4[nH]c(=O)ccc43)c2)c1 ZINC000067504033 864099852 /nfs/dbraw/zinc/09/98/52/864099852.db2.gz QULTUGHGGCEJNE-JOCHJYFZSA-N 1 0 385.467 3.993 20 30 GHEDRO COc1ccc2c(c1)CCC[C@@H]2CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000164299520 864107703 /nfs/dbraw/zinc/10/77/03/864107703.db2.gz LKGMAKDEMZCCLO-MRXNPFEDSA-N 1 0 381.476 3.703 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000734278005 864114414 /nfs/dbraw/zinc/11/44/14/864114414.db2.gz OBBAEZLACQXSPJ-QFIPXVFZSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734300282 864136596 /nfs/dbraw/zinc/13/65/96/864136596.db2.gz NLZIQRKAUDZFTH-UYAOXDASSA-N 1 0 378.472 3.781 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508472328 864172636 /nfs/dbraw/zinc/17/26/36/864172636.db2.gz JSMIXROZFXNDHC-FQEVSTJZSA-N 1 0 397.567 3.828 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1csc(C#N)c1)CC2 ZINC000896971894 864203736 /nfs/dbraw/zinc/20/37/36/864203736.db2.gz VJKFVGIMOLYENY-MRXNPFEDSA-N 1 0 391.537 3.516 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000554389432 864228647 /nfs/dbraw/zinc/22/86/47/864228647.db2.gz PJIKCDUBALVMKB-CJNGLKHVSA-N 1 0 396.413 3.590 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1 ZINC000897015210 864278493 /nfs/dbraw/zinc/27/84/93/864278493.db2.gz VQWBJPZENVGPHV-UHFFFAOYSA-N 1 0 391.471 3.602 20 30 GHEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000184273264 864297696 /nfs/dbraw/zinc/29/76/96/864297696.db2.gz JPFXRMREZRUKSZ-LLVKDONJSA-N 1 0 381.226 3.644 20 30 GHEDRO C=CCOc1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000607366223 864349745 /nfs/dbraw/zinc/34/97/45/864349745.db2.gz BKPSSUMCZABELP-QFIPXVFZSA-N 1 0 386.923 3.631 20 30 GHEDRO C=CC[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccncc1 ZINC000734662839 864388824 /nfs/dbraw/zinc/38/88/24/864388824.db2.gz DWUQZNREKZPNRI-HXUWFJFHSA-N 1 0 384.549 3.972 20 30 GHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000186258567 864513443 /nfs/dbraw/zinc/51/34/43/864513443.db2.gz OEWQHULDCNSHGK-KRWDZBQOSA-N 1 0 381.476 3.725 20 30 GHEDRO Cc1noc(Cc2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000897119404 864573053 /nfs/dbraw/zinc/57/30/53/864573053.db2.gz YOKQHYNEEPQLDM-UHFFFAOYSA-N 1 0 387.487 3.917 20 30 GHEDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000475207040 864573305 /nfs/dbraw/zinc/57/33/05/864573305.db2.gz ZFJNDBCKFBWZKY-UHFFFAOYSA-N 1 0 384.487 3.949 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000063404109 864656461 /nfs/dbraw/zinc/65/64/61/864656461.db2.gz KOLNQXLYCHMJEM-HXUWFJFHSA-N 1 0 380.492 3.932 20 30 GHEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)Nc2cc(C)ccc2F)[C@H](C)C1 ZINC000735229551 864672369 /nfs/dbraw/zinc/67/23/69/864672369.db2.gz IRYIHAWFEJEGTN-OAHLLOKOSA-N 1 0 380.533 3.545 20 30 GHEDRO C#CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc21 ZINC000735308574 864734232 /nfs/dbraw/zinc/73/42/32/864734232.db2.gz JPVGNYWGHLDNPS-LJQANCHMSA-N 1 0 391.427 3.516 20 30 GHEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309877 864734884 /nfs/dbraw/zinc/73/48/84/864734884.db2.gz MMLMVAXNGMHUFR-HZPDHXFCSA-N 1 0 377.916 3.759 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@H]([NH+](CC)CC)C2)c1=S ZINC000173463229 864750036 /nfs/dbraw/zinc/75/00/36/864750036.db2.gz CFZYYWWLFUEYNG-INIZCTEOSA-N 1 0 389.544 3.780 20 30 GHEDRO C[C@H](CC1CCOCC1)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475340738 864815095 /nfs/dbraw/zinc/81/50/95/864815095.db2.gz YGISAOQFQYHQTK-UTKZUKDTSA-N 1 0 375.944 3.975 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000063484646 864846077 /nfs/dbraw/zinc/84/60/77/864846077.db2.gz XZZLUGBPKQLQIA-UHFFFAOYSA-N 1 0 396.922 3.748 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCNC(=O)c2ccc(Cl)cn2)cc1 ZINC001170422698 881810803 /nfs/dbraw/zinc/81/08/03/881810803.db2.gz VSDHZFCZWZLOEY-FQEVSTJZSA-N 1 0 384.911 3.900 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)C(C)C ZINC000043797051 864884759 /nfs/dbraw/zinc/88/47/59/864884759.db2.gz OVYCYJFDHGFOMJ-NRFANRHFSA-N 1 0 398.551 3.743 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061549 864953461 /nfs/dbraw/zinc/95/34/61/864953461.db2.gz YEJMJYVLJWMJDF-GOEBONIOSA-N 1 0 397.357 3.985 20 30 GHEDRO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000554840869 865030714 /nfs/dbraw/zinc/03/07/14/865030714.db2.gz FWFOHDZFZQYCFK-CQSZACIVSA-N 1 0 392.484 3.980 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184984340 865096888 /nfs/dbraw/zinc/09/68/88/865096888.db2.gz ITXLUHGQXRNWKU-CTNGQTDRSA-N 1 0 378.497 3.933 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000594226965 865475080 /nfs/dbraw/zinc/47/50/80/865475080.db2.gz PZKAUKZCBIAARE-KRWDZBQOSA-N 1 0 380.517 3.557 20 30 GHEDRO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000174128800 865477714 /nfs/dbraw/zinc/47/77/14/865477714.db2.gz XBOAPXZDKRHMOW-UHFFFAOYSA-N 1 0 394.519 3.878 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000523044146 865498722 /nfs/dbraw/zinc/49/87/22/865498722.db2.gz QGURKELTVGCTAO-UHFFFAOYSA-N 1 0 376.460 3.625 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000594271882 865642370 /nfs/dbraw/zinc/64/23/70/865642370.db2.gz ASJAPJCZUPWRDB-INIZCTEOSA-N 1 0 392.494 3.845 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000608784376 865692684 /nfs/dbraw/zinc/69/26/84/865692684.db2.gz FGUDEOPCPLMXRW-QFIPXVFZSA-N 1 0 382.479 3.586 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000555262754 865794341 /nfs/dbraw/zinc/79/43/41/865794341.db2.gz VFFCBOVOCQAYFJ-TZIWHRDSSA-N 1 0 377.536 3.974 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)ccc1OC ZINC000174387143 865794656 /nfs/dbraw/zinc/79/46/56/865794656.db2.gz ZQIVMXOMERWNGZ-LJQANCHMSA-N 1 0 391.475 3.555 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000174432778 865818959 /nfs/dbraw/zinc/81/89/59/865818959.db2.gz ZTYUMGNUTZBPIT-SFHVURJKSA-N 1 0 394.519 3.740 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)s1 ZINC000740060831 865839022 /nfs/dbraw/zinc/83/90/22/865839022.db2.gz YFRBRKSVHHMTBW-QZTJIDSGSA-N 1 0 380.517 3.713 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1)C(C)C ZINC000740236027 865864121 /nfs/dbraw/zinc/86/41/21/865864121.db2.gz LDRVWMXLLRQPDK-NRFANRHFSA-N 1 0 394.471 3.860 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000174379500 865901729 /nfs/dbraw/zinc/90/17/29/865901729.db2.gz LVTRYHUMQMJGMQ-MOPGFXCFSA-N 1 0 387.487 3.858 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1C#N ZINC000609025049 865903727 /nfs/dbraw/zinc/90/37/27/865903727.db2.gz XSHKPFIQQLYJHV-LHSJRXKWSA-N 1 0 386.565 3.793 20 30 GHEDRO CCc1ccc([C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000609023900 865927586 /nfs/dbraw/zinc/92/75/86/865927586.db2.gz ZXFXWPVPOWRKET-LJQANCHMSA-N 1 0 375.516 3.959 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CC[NH+](C4CCC4)CC3)c2)s1 ZINC000740482916 865928438 /nfs/dbraw/zinc/92/84/38/865928438.db2.gz IOPAZNBKVXAWFE-UHFFFAOYSA-N 1 0 380.517 3.666 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740483410 865929579 /nfs/dbraw/zinc/92/95/79/865929579.db2.gz ACBODHAMZZOXPR-GOSISDBHSA-N 1 0 382.533 3.959 20 30 GHEDRO CCC[N@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740857450 866044638 /nfs/dbraw/zinc/04/46/38/866044638.db2.gz CZUJICZYDNTEBV-XUVXKRRUSA-N 1 0 379.508 3.608 20 30 GHEDRO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000475512729 866137265 /nfs/dbraw/zinc/13/72/65/866137265.db2.gz ZZCPDOIPZFLQEZ-CYBMUJFWSA-N 1 0 393.272 3.612 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000456171627 866171285 /nfs/dbraw/zinc/17/12/85/866171285.db2.gz OSQKRSRUFCUNEA-UHFFFAOYSA-N 1 0 379.504 3.987 20 30 GHEDRO CON=Cc1ccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000741125024 866255034 /nfs/dbraw/zinc/25/50/34/866255034.db2.gz SMTZCMJYCKEBNJ-FPOVZHCZSA-N 1 0 382.460 3.525 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508825908 866305155 /nfs/dbraw/zinc/30/51/55/866305155.db2.gz LWVGXIPVUVGYSH-INIZCTEOSA-N 1 0 389.906 3.988 20 30 GHEDRO C=CCc1ccc(OCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(OC)c1 ZINC000456256053 866307757 /nfs/dbraw/zinc/30/77/57/866307757.db2.gz CLRVZRUSUUKESP-HXUWFJFHSA-N 1 0 380.488 3.990 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456287262 866345537 /nfs/dbraw/zinc/34/55/37/866345537.db2.gz VYVIOKUVFURXLU-FQEVSTJZSA-N 1 0 393.487 3.913 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)ccc1OC ZINC000152473606 866422614 /nfs/dbraw/zinc/42/26/14/866422614.db2.gz ZKOKZALFMCAIEG-HXUWFJFHSA-N 1 0 386.536 3.921 20 30 GHEDRO COc1cccc(N2CC[C@H](CNC(=[NH2+])Nc3ccc(OC)c(Cl)c3)C2)c1 ZINC000303987827 866438910 /nfs/dbraw/zinc/43/89/10/866438910.db2.gz VWNUCTXWMBMCEV-CQSZACIVSA-N 1 0 388.899 3.610 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000534309675 866525866 /nfs/dbraw/zinc/52/58/66/866525866.db2.gz HHJNVMXVJLUOOA-FQEVSTJZSA-N 1 0 397.519 3.976 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000665844569 866542541 /nfs/dbraw/zinc/54/25/41/866542541.db2.gz VXJSJLPMSWFSLB-GOSISDBHSA-N 1 0 398.551 3.743 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000665844395 866544364 /nfs/dbraw/zinc/54/43/64/866544364.db2.gz PBRQHMBZBVENGF-IBGZPJMESA-N 1 0 398.551 3.743 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478740387 866573347 /nfs/dbraw/zinc/57/33/47/866573347.db2.gz OVBAEYQIXFSCSB-UHFFFAOYSA-N 1 0 397.519 3.656 20 30 GHEDRO C=C(CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC000478807141 866677518 /nfs/dbraw/zinc/67/75/18/866677518.db2.gz OQWRDHFUIUJVFA-WOJBJXKFSA-N 1 0 393.531 3.808 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000129772363 866717963 /nfs/dbraw/zinc/71/79/63/866717963.db2.gz ZZYZANWABCOIRE-OXJNMPFZSA-N 1 0 385.558 3.911 20 30 GHEDRO CN(C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C1(C#N)CCCCC1 ZINC000741712458 866746538 /nfs/dbraw/zinc/74/65/38/866746538.db2.gz WGOJZGDGEZWTJX-UHFFFAOYSA-N 1 0 382.552 3.794 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1C#N ZINC000534472525 866876517 /nfs/dbraw/zinc/87/65/17/866876517.db2.gz DFZZRYNCUUIVCE-UHFFFAOYSA-N 1 0 378.472 3.774 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000183594918 866893728 /nfs/dbraw/zinc/89/37/28/866893728.db2.gz JEWGWZKACKNSBS-CQSZACIVSA-N 1 0 379.851 3.687 20 30 GHEDRO CC[N@H+](C)[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000553208531 866966064 /nfs/dbraw/zinc/96/60/64/866966064.db2.gz MPLVOARYFINXKI-JOCHJYFZSA-N 1 0 395.478 3.760 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC000742098480 867066104 /nfs/dbraw/zinc/06/61/04/867066104.db2.gz OJTIXIQMUZRIJG-UHFFFAOYSA-N 1 0 378.520 3.818 20 30 GHEDRO Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000742134843 867069690 /nfs/dbraw/zinc/06/96/90/867069690.db2.gz GXHMKXLOAVOZEI-HXUWFJFHSA-N 1 0 378.520 3.912 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000742164807 867088948 /nfs/dbraw/zinc/08/89/48/867088948.db2.gz GBGKTHVOLDKKEH-VGOFRKELSA-N 1 0 387.487 3.853 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1OC ZINC000153829377 867101041 /nfs/dbraw/zinc/10/10/41/867101041.db2.gz NZKRLTCMRVEVNH-XLIONFOSSA-N 1 0 384.520 3.521 20 30 GHEDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000444768749 867204675 /nfs/dbraw/zinc/20/46/75/867204675.db2.gz XOKQCCDQPMLIFX-JOCHJYFZSA-N 1 0 386.540 3.657 20 30 GHEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCCC1(C)C ZINC000444786161 867246110 /nfs/dbraw/zinc/24/61/10/867246110.db2.gz TUEHNNSRNGSQBI-NRFANRHFSA-N 1 0 385.552 3.524 20 30 GHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429792835 867310014 /nfs/dbraw/zinc/31/00/14/867310014.db2.gz VDXIREYHQBWGPR-FPOVZHCZSA-N 1 0 393.934 3.793 20 30 GHEDRO CC[C@H](Oc1ccccc1F)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479218036 867371871 /nfs/dbraw/zinc/37/18/71/867371871.db2.gz OVJJSAPMFKLBHL-FQEVSTJZSA-N 1 0 395.478 3.658 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742794414 867558762 /nfs/dbraw/zinc/55/87/62/867558762.db2.gz WZTZGBJCVXVXKZ-LJQANCHMSA-N 1 0 388.471 3.597 20 30 GHEDRO C=CC(C)(C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457115165 867671333 /nfs/dbraw/zinc/67/13/33/867671333.db2.gz LTQIRMYCTAGDHV-UHFFFAOYSA-N 1 0 375.944 3.665 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](C)Oc2ccccc2Br)ccc1C#N ZINC000440637357 867680521 /nfs/dbraw/zinc/68/05/21/867680521.db2.gz LWORXAVZVJQUQH-ZDUSSCGKSA-N 1 0 375.266 3.886 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(c3c(C#N)cnc4c(Br)cccc43)CC[C@@H]21 ZINC000440650528 867743518 /nfs/dbraw/zinc/74/35/18/867743518.db2.gz IESJPNBPPUBLBT-GUYCJALGSA-N 1 0 385.309 3.789 20 30 GHEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000440654699 867789838 /nfs/dbraw/zinc/78/98/38/867789838.db2.gz SWFYWQZNHTVWQB-OAHLLOKOSA-N 1 0 385.309 3.934 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(OCC#N)c2)[C@H]1c1cccs1 ZINC000743101748 867845026 /nfs/dbraw/zinc/84/50/26/867845026.db2.gz ADDWGRIGFCRCIH-KXBFYZLASA-N 1 0 384.505 3.855 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000523742709 867883805 /nfs/dbraw/zinc/88/38/05/867883805.db2.gz MUMDAUMEGKUPRZ-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000743198020 867945906 /nfs/dbraw/zinc/94/59/06/867945906.db2.gz LEYJOVGWOIOWJO-IAGOWNOFSA-N 1 0 375.488 3.717 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000743198761 867946856 /nfs/dbraw/zinc/94/68/56/867946856.db2.gz YUYLOJISAAPERS-QFBILLFUSA-N 1 0 381.451 3.795 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000743202769 867954178 /nfs/dbraw/zinc/95/41/78/867954178.db2.gz OXIMFMRXSHHINJ-SFHVURJKSA-N 1 0 395.478 3.966 20 30 GHEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508843507 868102897 /nfs/dbraw/zinc/10/28/97/868102897.db2.gz DILBACQHNURMIW-UHFFFAOYSA-N 1 0 391.441 3.824 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000155809706 868116998 /nfs/dbraw/zinc/11/69/98/868116998.db2.gz SGQKJDIGJRFMDQ-UHFFFAOYSA-N 1 0 398.334 3.737 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000743614020 868304572 /nfs/dbraw/zinc/30/45/72/868304572.db2.gz SCLRMBLHVIVXII-HXUWFJFHSA-N 1 0 391.515 3.505 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1 ZINC000553866744 868375399 /nfs/dbraw/zinc/37/53/99/868375399.db2.gz IOYPTVNNTBUPPZ-VQTJNVASSA-N 1 0 393.478 3.604 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000442722945 868396674 /nfs/dbraw/zinc/39/66/74/868396674.db2.gz RAGJOFADDKILRF-BXUZGUMPSA-N 1 0 390.306 3.838 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C=NOC)cc1 ZINC000743782190 868410352 /nfs/dbraw/zinc/41/03/52/868410352.db2.gz LDLHWBYSRFDDBK-NRFANRHFSA-N 1 0 379.504 3.651 20 30 GHEDRO COc1cccc(NC(=[NH2+])NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000183890675 868574849 /nfs/dbraw/zinc/57/48/49/868574849.db2.gz OQVYAGAQWHIREZ-QGZVFWFLSA-N 1 0 380.414 3.744 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542630992 868640034 /nfs/dbraw/zinc/64/00/34/868640034.db2.gz ROKMMDOEOHGIIE-ROUUACIJSA-N 1 0 387.480 3.940 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)ccc1C#N ZINC000440813502 868669809 /nfs/dbraw/zinc/66/98/09/868669809.db2.gz WYBGFVFMOUVGHX-INIZCTEOSA-N 1 0 391.393 3.834 20 30 GHEDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000666046191 882215525 /nfs/dbraw/zinc/21/55/25/882215525.db2.gz ZPCIJHIWFYUTNH-NRFANRHFSA-N 1 0 388.515 3.725 20 30 GHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000669813208 868742945 /nfs/dbraw/zinc/74/29/45/868742945.db2.gz RYCHEFDPJAESCN-LJQANCHMSA-N 1 0 388.519 3.744 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000744400004 868807754 /nfs/dbraw/zinc/80/77/54/868807754.db2.gz BDEZENGQYSTRDM-UHFFFAOYSA-N 1 0 388.471 3.570 20 30 GHEDRO C[C@](O)(C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000535541334 868941407 /nfs/dbraw/zinc/94/14/07/868941407.db2.gz CQIAHFKGDPSWNR-MNOVXSKESA-N 1 0 399.253 3.962 20 30 GHEDRO C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)C1CCCCC1 ZINC000744812364 869080277 /nfs/dbraw/zinc/08/02/77/869080277.db2.gz MAAWXXDTFMUHJL-QFIPXVFZSA-N 1 0 383.536 3.810 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000445986087 869238297 /nfs/dbraw/zinc/23/82/97/869238297.db2.gz QVNFSXYMCJSPQD-JENIJYKNSA-N 1 0 379.426 3.740 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[N@@H+]1C1CC1 ZINC000440918343 869262558 /nfs/dbraw/zinc/26/25/58/869262558.db2.gz AVCXCXHFUXWWHY-GDBMZVCRSA-N 1 0 379.435 3.845 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1C ZINC000524617881 869350228 /nfs/dbraw/zinc/35/02/28/869350228.db2.gz JIVYSRCCQKPGDJ-FUHWJXTLSA-N 1 0 381.476 3.675 20 30 GHEDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000524666938 869426652 /nfs/dbraw/zinc/42/66/52/869426652.db2.gz MWGKLWGANLZYGK-LJQANCHMSA-N 1 0 391.515 3.839 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(C#N)c(F)c1 ZINC000539608324 869436083 /nfs/dbraw/zinc/43/60/83/869436083.db2.gz FFJVTSVXCXJSEN-VOJFVSQTSA-N 1 0 375.806 3.946 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000539609122 869438177 /nfs/dbraw/zinc/43/81/77/869438177.db2.gz BCIRSICCQZIRSA-WBMJQRKESA-N 1 0 382.357 3.807 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000539609120 869438294 /nfs/dbraw/zinc/43/82/94/869438294.db2.gz BCIRSICCQZIRSA-LRDDRELGSA-N 1 0 382.357 3.807 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000524710903 869478887 /nfs/dbraw/zinc/47/88/87/869478887.db2.gz LUCDWUSJQOLSBV-SFHVURJKSA-N 1 0 397.548 3.944 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000462472991 869515891 /nfs/dbraw/zinc/51/58/91/869515891.db2.gz GSTJKKFVRCFODZ-HTAPYJJXSA-N 1 0 379.504 3.868 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508857287 869535542 /nfs/dbraw/zinc/53/55/42/869535542.db2.gz ODJZBCXCMQDOLH-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CCCc3sccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000539793873 869793185 /nfs/dbraw/zinc/79/31/85/869793185.db2.gz VLTSIFJNLUFVBN-LJQANCHMSA-N 1 0 379.529 3.843 20 30 GHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(C)(C)O1 ZINC000065427013 869839493 /nfs/dbraw/zinc/83/94/93/869839493.db2.gz LEWSXGRGKHFCOX-AWEZNQCLSA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000525025623 869904663 /nfs/dbraw/zinc/90/46/63/869904663.db2.gz OTMWAOOYITTXMG-MGPUTAFESA-N 1 0 381.451 3.902 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1OC ZINC000539863511 869915403 /nfs/dbraw/zinc/91/54/03/869915403.db2.gz ZWOUCWDFRRUEIO-INIZCTEOSA-N 1 0 386.330 3.861 20 30 GHEDRO N#Cc1ccncc1N1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000793671845 882359276 /nfs/dbraw/zinc/35/92/76/882359276.db2.gz DUNWCSOTJVTLBN-UHFFFAOYSA-N 1 0 384.439 3.880 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000092453495 882362656 /nfs/dbraw/zinc/36/26/56/882362656.db2.gz BSFCSZZHLRUWCA-KRWDZBQOSA-N 1 0 397.906 3.979 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC(CC[NH+]4CCOCC4)CC3)c2c1 ZINC000462801974 870121719 /nfs/dbraw/zinc/12/17/19/870121719.db2.gz JDAHNEZQFDEKOS-UHFFFAOYSA-N 1 0 378.520 3.662 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1OC ZINC000539977670 870142111 /nfs/dbraw/zinc/14/21/11/870142111.db2.gz POOJHHUYYVHNLD-ZIAGYGMSSA-N 1 0 384.314 3.927 20 30 GHEDRO N#Cc1cc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC000462839542 870169259 /nfs/dbraw/zinc/16/92/59/870169259.db2.gz JNGDNWNLBKKMGT-LJQANCHMSA-N 1 0 387.443 3.513 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)Nc1c(F)cccc1OCC1CC[NH+](C)CC1 ZINC001192264181 870247323 /nfs/dbraw/zinc/24/73/23/870247323.db2.gz ZOLQELDVKFBNQA-UHFFFAOYSA-N 1 0 397.450 3.679 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446715946 870251192 /nfs/dbraw/zinc/25/11/92/870251192.db2.gz GEXHWHKFQOTCRX-CYFREDJKSA-N 1 0 391.515 3.994 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C#N ZINC000525292620 870300508 /nfs/dbraw/zinc/30/05/08/870300508.db2.gz GECCICNPASSMEI-CVEARBPZSA-N 1 0 384.549 3.640 20 30 GHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731525 870457396 /nfs/dbraw/zinc/45/73/96/870457396.db2.gz RTXYJDBQXMITTD-OAHLLOKOSA-N 1 0 391.504 3.863 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000462943651 870477460 /nfs/dbraw/zinc/47/74/60/870477460.db2.gz DRLGBGWGJNOTCZ-SQWLQELKSA-N 1 0 381.314 3.943 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1c(Br)cccc1C(F)(F)F ZINC001192652687 870559172 /nfs/dbraw/zinc/55/91/72/870559172.db2.gz PCDQFDZXLGWJFO-NSHDSACASA-N 1 0 391.231 3.848 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(F)cc1OC(F)F ZINC001192635810 870582571 /nfs/dbraw/zinc/58/25/71/870582571.db2.gz RIEOYDZKAPYGED-GFCCVEGCSA-N 1 0 377.366 3.978 20 30 GHEDRO Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)n(C(C)(C)C)n1 ZINC001192736125 870623262 /nfs/dbraw/zinc/62/32/62/870623262.db2.gz UVIKXUQJVNIKRB-MXVIHJGJSA-N 1 0 393.535 3.731 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000525406720 870638578 /nfs/dbraw/zinc/63/85/78/870638578.db2.gz BIKKSBXGQDHSNX-QGZVFWFLSA-N 1 0 397.544 3.577 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c(C(F)(F)F)c1 ZINC000463040328 870722586 /nfs/dbraw/zinc/72/25/86/870722586.db2.gz VPSUZYMKHICKIT-CQSZACIVSA-N 1 0 377.341 3.611 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC001192900680 870757246 /nfs/dbraw/zinc/75/72/46/870757246.db2.gz CUDAIEVFEBBNLN-INIZCTEOSA-N 1 0 390.462 3.981 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c(Br)c1 ZINC001168794074 870761169 /nfs/dbraw/zinc/76/11/69/870761169.db2.gz ZIGKZPKKQPFSIS-KPZWWZAWSA-N 1 0 375.266 3.714 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000461736430 870828803 /nfs/dbraw/zinc/82/88/03/870828803.db2.gz LDVRQFBGJGSBOY-LAUBAEHRSA-N 1 0 377.488 3.624 20 30 GHEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168807298 870857318 /nfs/dbraw/zinc/85/73/18/870857318.db2.gz OAIUTCIVJZCYOY-UTKZUKDTSA-N 1 0 398.551 3.510 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000447023395 870874273 /nfs/dbraw/zinc/87/42/73/870874273.db2.gz MHKHFIHWERWDLZ-LBPRGKRZSA-N 1 0 382.407 3.831 20 30 GHEDRO Cc1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)ccc1C#N ZINC000447080532 870958852 /nfs/dbraw/zinc/95/88/52/870958852.db2.gz WRAXLGOZCIACIM-GOSISDBHSA-N 1 0 384.277 3.524 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CCCCC2 ZINC000429713100 871031463 /nfs/dbraw/zinc/03/14/63/871031463.db2.gz VAMBASDCBCGUEZ-CDHQVMDDSA-N 1 0 399.560 3.764 20 30 GHEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000667182505 871049772 /nfs/dbraw/zinc/04/97/72/871049772.db2.gz CIQJUERONQAICC-LBPRGKRZSA-N 1 0 398.322 3.943 20 30 GHEDRO N#Cc1cc(Br)cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)n1 ZINC001169000866 871087422 /nfs/dbraw/zinc/08/74/22/871087422.db2.gz UYYMFZSGIZQCMQ-UHFFFAOYSA-N 1 0 390.672 3.599 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1Br ZINC000540368923 871091575 /nfs/dbraw/zinc/09/15/75/871091575.db2.gz BAVBAPFZNMJCDC-JCGVRSQUSA-N 1 0 396.329 3.551 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428809188 871235148 /nfs/dbraw/zinc/23/51/48/871235148.db2.gz FVXZDZFPZIMARU-IBGZPJMESA-N 1 0 379.460 3.562 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000595290590 871282949 /nfs/dbraw/zinc/28/29/49/871282949.db2.gz MIDACUTYOPUFGD-JOCHJYFZSA-N 1 0 377.488 3.580 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c(C#N)cnc2nc(Cl)ccc21 ZINC001169174099 871298830 /nfs/dbraw/zinc/29/88/30/871298830.db2.gz AHZRBCHJPXXWCT-UHFFFAOYSA-N 1 0 391.862 3.917 20 30 GHEDRO CC(C)([NH2+]Cn1cc2c(c(C#N)c1=O)CCC2)c1ccc(Cl)c(Cl)c1 ZINC000766620270 871307645 /nfs/dbraw/zinc/30/76/45/871307645.db2.gz SPBUZIVWVPXOJN-UHFFFAOYSA-N 1 0 376.287 3.998 20 30 GHEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000181637925 871317860 /nfs/dbraw/zinc/31/78/60/871317860.db2.gz ULKZLFXCTLWCIC-IBGZPJMESA-N 1 0 378.444 3.597 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2nc(C)c(C#N)cc2Cl)cc1 ZINC000461941899 871325017 /nfs/dbraw/zinc/32/50/17/871325017.db2.gz NHNJQMJYGJTZRQ-UHFFFAOYSA-N 1 0 386.883 3.779 20 30 GHEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000463285588 871331610 /nfs/dbraw/zinc/33/16/10/871331610.db2.gz GFTGFKCMWIMNOP-PKOBYXMFSA-N 1 0 394.485 3.889 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000540471079 871382304 /nfs/dbraw/zinc/38/23/04/871382304.db2.gz BHZKDEXHGZKDEU-RTWAWAEBSA-N 1 0 391.515 3.773 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC001193920594 871393396 /nfs/dbraw/zinc/39/33/96/871393396.db2.gz PJHIXDAFGUMGPI-UHFFFAOYSA-N 1 0 380.492 3.838 20 30 GHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001194270605 871605031 /nfs/dbraw/zinc/60/50/31/871605031.db2.gz ZQTTZJVNIXWVOZ-HXUWFJFHSA-N 1 0 382.508 3.763 20 30 GHEDRO C[N@H+](CCc1cccc(Br)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000463411191 871656588 /nfs/dbraw/zinc/65/65/88/871656588.db2.gz CKGOILOWVAENEG-IBGZPJMESA-N 1 0 398.304 3.601 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)CCc1cccc(Br)c1 ZINC000463421608 871697128 /nfs/dbraw/zinc/69/71/28/871697128.db2.gz LECDMPDYDPEWGJ-UHFFFAOYSA-N 1 0 392.322 3.885 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000921073880 882540115 /nfs/dbraw/zinc/54/01/15/882540115.db2.gz USMQRTCPKGNQOJ-HNNXBMFYSA-N 1 0 380.330 3.769 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC001194505904 871755261 /nfs/dbraw/zinc/75/52/61/871755261.db2.gz XPTLZSBTTIDWDV-VWNXMTODSA-N 1 0 389.499 3.764 20 30 GHEDRO CC[C@H]([NH2+]CCN1CCc2cc(OC)c(OC)cc2C1)c1ccc(C#N)cc1 ZINC000447541029 871812652 /nfs/dbraw/zinc/81/26/52/871812652.db2.gz FIROMCRXBAPBOX-NRFANRHFSA-N 1 0 379.504 3.674 20 30 GHEDRO N#CCCN(C(=O)c1ccc(NCC23CC[NH+](CC2)CC3)nc1)c1ccccc1 ZINC001169795268 871893405 /nfs/dbraw/zinc/89/34/05/871893405.db2.gz NBTLDHWYOPBMMJ-UHFFFAOYSA-N 1 0 389.503 3.540 20 30 GHEDRO C=CC[C@H]1[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCC1(C)C ZINC001169843244 871932748 /nfs/dbraw/zinc/93/27/48/871932748.db2.gz AQPCOSVXQHMHKF-GOSISDBHSA-N 1 0 375.469 3.999 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)c1C#N ZINC000552059018 871953474 /nfs/dbraw/zinc/95/34/74/871953474.db2.gz JGXHDBXNDXETKR-WTOYTKOKSA-N 1 0 378.472 3.786 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776987331 882567385 /nfs/dbraw/zinc/56/73/85/882567385.db2.gz PRWCXGPIDUZZCY-XMSQKQJNSA-N 1 0 399.897 3.897 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618797155 872003586 /nfs/dbraw/zinc/00/35/86/872003586.db2.gz DBUGSXQYZMSRBC-YADHBBJMSA-N 1 0 376.504 3.928 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000618797409 872004774 /nfs/dbraw/zinc/00/47/74/872004774.db2.gz XZBOWAOCWXJUBZ-FGZHOGPDSA-N 1 0 376.504 3.710 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000618797215 872005812 /nfs/dbraw/zinc/00/58/12/872005812.db2.gz GJOATJRAFOMFEU-UXHICEINSA-N 1 0 378.476 3.665 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+]2CCCC2)cc1 ZINC000618809368 872015645 /nfs/dbraw/zinc/01/56/45/872015645.db2.gz IPJSPOPEVRJALX-PKTZIBPZSA-N 1 0 388.515 3.990 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618812904 872020692 /nfs/dbraw/zinc/02/06/92/872020692.db2.gz IHCZBCCPYXTLCH-IIBYNOLFSA-N 1 0 376.504 3.974 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618828356 872032773 /nfs/dbraw/zinc/03/27/73/872032773.db2.gz JSELRZDKEDHRJV-PKTZIBPZSA-N 1 0 388.515 3.755 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618853491 872076555 /nfs/dbraw/zinc/07/65/55/872076555.db2.gz KTTBDXSPIQHTDR-JPYJTQIMSA-N 1 0 388.515 3.852 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@@H]1CCCO1 ZINC000182254652 872089277 /nfs/dbraw/zinc/08/92/77/872089277.db2.gz RIDYJJLJDLKXLY-RTWAWAEBSA-N 1 0 394.519 3.511 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](CO)CC2)cc1OC ZINC000552147254 872138007 /nfs/dbraw/zinc/13/80/07/872138007.db2.gz VEKVSEHGKZSGKN-AWEZNQCLSA-N 1 0 384.314 3.617 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000526136119 872166782 /nfs/dbraw/zinc/16/67/82/872166782.db2.gz LODRCGIARUTLNQ-FYYLOGMGSA-N 1 0 389.499 3.788 20 30 GHEDRO C=CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3OC)C2)cc1 ZINC001195142563 872197755 /nfs/dbraw/zinc/19/77/55/872197755.db2.gz SBTQEANQXVZZAF-FQEVSTJZSA-N 1 0 380.488 3.654 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763516833 872230976 /nfs/dbraw/zinc/23/09/76/872230976.db2.gz FSBHQQWZQQMWAT-NJDAHSKKSA-N 1 0 399.535 3.846 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763516835 872232250 /nfs/dbraw/zinc/23/22/50/872232250.db2.gz FSBHQQWZQQMWAT-PWRODBHTSA-N 1 0 399.535 3.846 20 30 GHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C12CCC2 ZINC000478022477 872363840 /nfs/dbraw/zinc/36/38/40/872363840.db2.gz AJDXSINTRASSQS-MSOLQXFVSA-N 1 0 387.549 3.717 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1Cl ZINC001195478031 872430752 /nfs/dbraw/zinc/43/07/52/872430752.db2.gz UJAQIMXODSDKTD-LEWJYISDSA-N 1 0 397.906 3.608 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478051938 872431661 /nfs/dbraw/zinc/43/16/61/872431661.db2.gz FWRLKZGCCSIZCX-GCJKJVERSA-N 1 0 383.536 3.749 20 30 GHEDRO C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001195729110 872579872 /nfs/dbraw/zinc/57/98/72/872579872.db2.gz MUZFHOQOZJIMNW-KURKYZTESA-N 1 0 378.476 3.950 20 30 GHEDRO Cc1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)nn1-c1cccc(C#N)c1 ZINC000540948878 872588158 /nfs/dbraw/zinc/58/81/58/872588158.db2.gz XOUQBHWTYKULJU-UHFFFAOYSA-N 1 0 399.498 3.943 20 30 GHEDRO Clc1cccc(C#CCN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001195778103 872656457 /nfs/dbraw/zinc/65/64/57/872656457.db2.gz PKWCIJPSCUEQOF-DHIUTWEWSA-N 1 0 380.919 3.667 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCC1 ZINC000527302668 872941551 /nfs/dbraw/zinc/94/15/51/872941551.db2.gz UFQKMRBUZVAKRF-JLJPHGGASA-N 1 0 379.426 3.882 20 30 GHEDRO CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755201 872965323 /nfs/dbraw/zinc/96/53/23/872965323.db2.gz CGIUIEIRKPPINW-JOCHJYFZSA-N 1 0 383.923 3.937 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)C(C)C ZINC000070883552 873069188 /nfs/dbraw/zinc/06/91/88/873069188.db2.gz VCBDQGJCMKCWFA-OAQYLSRUSA-N 1 0 388.527 3.689 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@]12C[C@@H]1CCCC2 ZINC001196879172 873424647 /nfs/dbraw/zinc/42/46/47/873424647.db2.gz UQGPSAACJGWCMI-ZAAXVRCTSA-N 1 0 378.438 3.732 20 30 GHEDRO CCc1cc(C(=O)N(c2cccc(C)c2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)ccc1C#N ZINC001197274481 873687652 /nfs/dbraw/zinc/68/76/52/873687652.db2.gz DXJMFYPTOXKIBQ-ISKFKSNPSA-N 1 0 389.499 3.597 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448711812 873836145 /nfs/dbraw/zinc/83/61/45/873836145.db2.gz ZEPKSXZRQWXESV-CQSZACIVSA-N 1 0 378.314 3.563 20 30 GHEDRO COCC1([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCC1 ZINC001197582814 873924680 /nfs/dbraw/zinc/92/46/80/873924680.db2.gz ZKTYDVRQACJXJS-UHFFFAOYSA-N 1 0 386.540 3.921 20 30 GHEDRO Cn1c(C#N)ccc1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000448793503 873995206 /nfs/dbraw/zinc/99/52/06/873995206.db2.gz GTKQGRXUYNEXKV-UHFFFAOYSA-N 1 0 393.318 3.798 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000769391054 874016277 /nfs/dbraw/zinc/01/62/77/874016277.db2.gz XSHCLXGWBTUUMC-KRWDZBQOSA-N 1 0 376.497 3.531 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1C(F)(F)F ZINC000541637012 874027246 /nfs/dbraw/zinc/02/72/46/874027246.db2.gz MMGCYVRPRYIPJH-LSDHHAIUSA-N 1 0 389.421 3.975 20 30 GHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508788621 882789068 /nfs/dbraw/zinc/78/90/68/882789068.db2.gz DCAMNDQQIZMGJC-KRWDZBQOSA-N 1 0 391.466 3.509 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000769541564 874099493 /nfs/dbraw/zinc/09/94/93/874099493.db2.gz DIBHQDIZVMWBOV-UHFFFAOYSA-N 1 0 394.515 3.818 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000537649391 882793931 /nfs/dbraw/zinc/79/39/31/882793931.db2.gz KBNOPFUTKJOIPL-KRWDZBQOSA-N 1 0 384.442 3.874 20 30 GHEDRO C#C[C@H]([NH2+]CCCC(=O)Nc1c(CC)ccc(Cl)c1CC)[C@H]1CCCO1 ZINC000775796141 874111884 /nfs/dbraw/zinc/11/18/84/874111884.db2.gz TYKDCBTVEMVKBL-RBUKOAKNSA-N 1 0 376.928 3.954 20 30 GHEDRO CCc1ccc([C@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595775127 874195161 /nfs/dbraw/zinc/19/51/61/874195161.db2.gz SQFZAKGFMUFGHZ-SFHVURJKSA-N 1 0 391.515 3.593 20 30 GHEDRO C[C@](CO)(Cc1ccccc1F)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001198218610 874278761 /nfs/dbraw/zinc/27/87/61/874278761.db2.gz HSLNCRLRSIMCET-LJQANCHMSA-N 1 0 381.369 3.659 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc(N(C)C)cc1 ZINC000775836282 874332226 /nfs/dbraw/zinc/33/22/26/874332226.db2.gz LUYLSETZMJSKJQ-HNAYVOBHSA-N 1 0 385.471 3.640 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)c1 ZINC000537649814 882819609 /nfs/dbraw/zinc/81/96/09/882819609.db2.gz FMVNTSBJNVBEKO-KRWDZBQOSA-N 1 0 384.442 3.874 20 30 GHEDRO N#Cc1ccnc(N2CCN(Cc3cnc(-c4c(F)cccc4F)s3)CC2)c1 ZINC000449010862 874357169 /nfs/dbraw/zinc/35/71/69/874357169.db2.gz VVIJDCMUARWBIQ-UHFFFAOYSA-N 1 0 397.454 3.677 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000770051064 874426354 /nfs/dbraw/zinc/42/63/54/874426354.db2.gz SBJXRSZPIBCSPZ-IIBYNOLFSA-N 1 0 382.504 3.854 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000104514754 874458375 /nfs/dbraw/zinc/45/83/75/874458375.db2.gz SCPIBNPZCDMSJJ-SFHVURJKSA-N 1 0 397.519 3.788 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)cc1 ZINC000464777922 874472939 /nfs/dbraw/zinc/47/29/39/874472939.db2.gz SFFKDSXZDTZHJU-QUCCMNQESA-N 1 0 389.565 3.938 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000528402337 874519353 /nfs/dbraw/zinc/51/93/53/874519353.db2.gz DSFRVSFXMVDRIB-MSOLQXFVSA-N 1 0 393.512 3.787 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C2([C@@H]3CCCO3)CCC2)c1C#N ZINC001198706564 874598222 /nfs/dbraw/zinc/59/82/22/874598222.db2.gz QHLWBKOLFACPHB-FQEVSTJZSA-N 1 0 392.503 3.596 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cccc2c1C[N@H+](C[C@H](O)CC1(C#N)CCC1)CC2 ZINC001198852776 874657056 /nfs/dbraw/zinc/65/70/56/874657056.db2.gz RWRFWAYUBXPGJH-QGZVFWFLSA-N 1 0 385.508 3.837 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000464899328 874708440 /nfs/dbraw/zinc/70/84/40/874708440.db2.gz SRDVGKFJPPHDCT-IBGZPJMESA-N 1 0 394.515 3.997 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000464944151 874831681 /nfs/dbraw/zinc/83/16/81/874831681.db2.gz WBAWGWHYPJTBHQ-UGKGYDQZSA-N 1 0 391.515 3.696 20 30 GHEDRO COc1ccc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1OCCCC#N ZINC000449428905 874847189 /nfs/dbraw/zinc/84/71/89/874847189.db2.gz ULMRWQQNNUFZKN-REWPJTCUSA-N 1 0 398.478 3.678 20 30 GHEDRO COc1ccc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1OCCCC#N ZINC000449428903 874847682 /nfs/dbraw/zinc/84/76/82/874847682.db2.gz ULMRWQQNNUFZKN-OFNKIYASSA-N 1 0 398.478 3.678 20 30 GHEDRO N#Cc1ccc(CC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cn1 ZINC000528680510 874877488 /nfs/dbraw/zinc/87/74/88/874877488.db2.gz PGTZAFOSEPDZHY-UHFFFAOYSA-N 1 0 388.515 3.543 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC(C)C ZINC000460609472 874922640 /nfs/dbraw/zinc/92/26/40/874922640.db2.gz ONTPCHSUVUVXRM-UHFFFAOYSA-N 1 0 394.567 3.717 20 30 GHEDRO Clc1ccc(C#CC[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1 ZINC000528721283 874959747 /nfs/dbraw/zinc/95/97/47/874959747.db2.gz XRDLMRGAXWYWDJ-UHFFFAOYSA-N 1 0 399.922 3.923 20 30 GHEDRO COC[C@]1([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)COc2ccccc2C1 ZINC000528750201 875013248 /nfs/dbraw/zinc/01/32/48/875013248.db2.gz QILDAKTWCZDASU-IBGZPJMESA-N 1 0 376.378 3.687 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000542151741 875044211 /nfs/dbraw/zinc/04/42/11/875044211.db2.gz NMZZBJIGVMDYRX-CVEARBPZSA-N 1 0 390.487 3.975 20 30 GHEDRO C[C@@H]1CCc2ccccc2N1C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528785571 875057402 /nfs/dbraw/zinc/05/74/02/875057402.db2.gz YSBXADARHUEITE-GOSISDBHSA-N 1 0 389.499 3.521 20 30 GHEDRO C[C@H]1CCc2ccccc2N1C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528785573 875057614 /nfs/dbraw/zinc/05/76/14/875057614.db2.gz YSBXADARHUEITE-SFHVURJKSA-N 1 0 389.499 3.521 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCc3c(O)cccc32)c(OC)c1 ZINC000192349228 882895927 /nfs/dbraw/zinc/89/59/27/882895927.db2.gz FTNGGEMFNVISBY-XLIONFOSSA-N 1 0 383.488 3.536 20 30 GHEDRO C[C@H](CCOc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000465120114 875154150 /nfs/dbraw/zinc/15/41/50/875154150.db2.gz KAYUUUYYLCCABI-LJQANCHMSA-N 1 0 379.504 3.554 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000121544041 875158364 /nfs/dbraw/zinc/15/83/64/875158364.db2.gz LAFCVBIOBLGEQP-QGZVFWFLSA-N 1 0 382.460 3.731 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000449643278 875166963 /nfs/dbraw/zinc/16/69/63/875166963.db2.gz ADBSYPQQYLODOK-MSOLQXFVSA-N 1 0 377.488 3.825 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000449672724 875220315 /nfs/dbraw/zinc/22/03/15/875220315.db2.gz NAUPLZCJGOJGBC-YLJYHZDGSA-N 1 0 390.405 3.882 20 30 GHEDRO COc1ccc(CN(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000026323932 875227527 /nfs/dbraw/zinc/22/75/27/875227527.db2.gz FPNVCAMOFDDQQH-CYBMUJFWSA-N 1 0 399.516 3.585 20 30 GHEDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000449762732 875338822 /nfs/dbraw/zinc/33/88/22/875338822.db2.gz LADUFCQSWRBUEI-UHFFFAOYSA-N 1 0 378.394 3.970 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771769436 875474763 /nfs/dbraw/zinc/47/47/63/875474763.db2.gz QVZLIUOKNYEIJZ-FPOVZHCZSA-N 1 0 380.621 3.793 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000491442940 875705795 /nfs/dbraw/zinc/70/57/95/875705795.db2.gz DIBJGIWDKQSVKP-UHFFFAOYSA-N 1 0 378.516 3.719 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(C(F)(F)F)cc3C#N)cc2CO)CC1 ZINC001201690889 875836063 /nfs/dbraw/zinc/83/60/63/875836063.db2.gz MMRLPBOPBLCOGO-UHFFFAOYSA-N 1 0 390.409 3.565 20 30 GHEDRO COCc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C#N ZINC000529212852 875837348 /nfs/dbraw/zinc/83/73/48/875837348.db2.gz VZNZZSQDUZLKOZ-UHFFFAOYSA-N 1 0 396.466 3.630 20 30 GHEDRO COCc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1C#N ZINC000529212893 875837606 /nfs/dbraw/zinc/83/76/06/875837606.db2.gz WRXAHLYLDHCCOJ-NRFANRHFSA-N 1 0 378.476 3.663 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000529212365 875839341 /nfs/dbraw/zinc/83/93/41/875839341.db2.gz IZDVWCYBLZCLJD-FOIQADDNSA-N 1 0 398.532 3.971 20 30 GHEDRO CCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001201762280 875846716 /nfs/dbraw/zinc/84/67/16/875846716.db2.gz DEIHGSBMUJIJNF-NRFANRHFSA-N 1 0 381.561 3.548 20 30 GHEDRO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450060911 875883521 /nfs/dbraw/zinc/88/35/21/875883521.db2.gz OKVWLNGKFYMLKF-KNQAVFIVSA-N 1 0 378.516 3.963 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001201852955 875888405 /nfs/dbraw/zinc/88/84/05/875888405.db2.gz UQEPJUIKIILGOY-VSKRKVRLSA-N 1 0 394.600 3.902 20 30 GHEDRO CCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001202146107 876024250 /nfs/dbraw/zinc/02/42/50/876024250.db2.gz DJDUOAZOMGJJDO-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000549958521 876054815 /nfs/dbraw/zinc/05/48/15/876054815.db2.gz MGCRRINVJHYPEK-UHFFFAOYSA-N 1 0 394.544 3.734 20 30 GHEDRO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000443865155 876095151 /nfs/dbraw/zinc/09/51/51/876095151.db2.gz AJVNCICXWNQKDR-NYVOZVTQSA-N 1 0 385.552 3.822 20 30 GHEDRO CCc1cccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccc(C)cc2)c1 ZINC000151920376 876122710 /nfs/dbraw/zinc/12/27/10/876122710.db2.gz QRBUHWLUELAMGS-UHFFFAOYSA-O 1 0 379.509 3.629 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1OC ZINC001202428736 876220770 /nfs/dbraw/zinc/22/07/70/876220770.db2.gz XLRGZSGHAZHUTJ-IAGOWNOFSA-N 1 0 380.488 3.716 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccsc3C(F)(F)F)C2=O)cc1 ZINC000529541906 876294964 /nfs/dbraw/zinc/29/49/64/876294964.db2.gz MOYGXEHIPHGOJY-OAHLLOKOSA-N 1 0 379.407 3.924 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cn2)cc1 ZINC000609355993 883047368 /nfs/dbraw/zinc/04/73/68/883047368.db2.gz RNDPKVLCVXDQEV-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cn2)cc1 ZINC000609355994 883047471 /nfs/dbraw/zinc/04/74/71/883047471.db2.gz RNDPKVLCVXDQEV-LJQANCHMSA-N 1 0 391.475 3.838 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CC1 ZINC000786516589 876765065 /nfs/dbraw/zinc/76/50/65/876765065.db2.gz BQZGREBXRCLJJX-UHFFFAOYSA-N 1 0 379.917 3.574 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000609348198 883065129 /nfs/dbraw/zinc/06/51/29/883065129.db2.gz NMPHRXXZOOWLPG-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000850502096 876976878 /nfs/dbraw/zinc/97/68/78/876976878.db2.gz KKXPWWUNGKZHGC-KZNAEPCWSA-N 1 0 384.586 3.690 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc(OC)c1OC ZINC000786848168 876981487 /nfs/dbraw/zinc/98/14/87/876981487.db2.gz INNQKDSAPWOOFO-INIZCTEOSA-N 1 0 395.503 3.813 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1OC ZINC000850715492 877120971 /nfs/dbraw/zinc/12/09/71/877120971.db2.gz JDCDTYODKDJUFZ-NEEZITCHSA-N 1 0 384.520 3.654 20 30 GHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)CC1(CC#N)CC1)C1CCCCC1 ZINC000451095441 877361773 /nfs/dbraw/zinc/36/17/73/877361773.db2.gz IYHKRXDCMKVICV-UHFFFAOYSA-N 1 0 389.565 3.564 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451304408 877780418 /nfs/dbraw/zinc/78/04/18/877780418.db2.gz IKAGXMKEMUTMIL-QGZVFWFLSA-N 1 0 394.393 3.678 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000477557228 877811345 /nfs/dbraw/zinc/81/13/45/877811345.db2.gz HCWSGOHJIBGDPC-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO C#CCOc1ccc(C[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000152366342 877879413 /nfs/dbraw/zinc/87/94/13/877879413.db2.gz OAUDPVOAXCVTQH-FQEVSTJZSA-N 1 0 378.516 3.688 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(C#N)c1C ZINC000179731461 877907935 /nfs/dbraw/zinc/90/79/35/877907935.db2.gz VUVOFUIRWLQTQW-XCLFUZPHSA-N 1 0 395.459 3.607 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451427284 877960299 /nfs/dbraw/zinc/96/02/99/877960299.db2.gz WUHACJXMJDWBAK-UKBAYJJMSA-N 1 0 387.549 3.645 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1Cl ZINC000451427405 877960419 /nfs/dbraw/zinc/96/04/19/877960419.db2.gz VRJPZJSVVGFQAM-RLLQIKCJSA-N 1 0 389.927 3.521 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C12CCC2 ZINC000451472646 878020336 /nfs/dbraw/zinc/02/03/36/878020336.db2.gz LGDYYBOYSAGIJK-ROUUACIJSA-N 1 0 387.549 3.764 20 30 GHEDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1(C)C ZINC000451491599 878038728 /nfs/dbraw/zinc/03/87/28/878038728.db2.gz PQGTVJNLLFHENU-CFLQYTFWSA-N 1 0 375.538 3.670 20 30 GHEDRO CC[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[NH+](CC)CC ZINC000530569566 878081921 /nfs/dbraw/zinc/08/19/21/878081921.db2.gz YUCSZILEBBKADF-FQEVSTJZSA-N 1 0 378.476 3.869 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCOc2ccccc2F)c(-c2ccncc2)n1 ZINC000788506976 878113991 /nfs/dbraw/zinc/11/39/91/878113991.db2.gz HILWFXMUZLQZBP-UHFFFAOYSA-N 1 0 379.439 3.557 20 30 GHEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000537719870 878192395 /nfs/dbraw/zinc/19/23/95/878192395.db2.gz GTFPERYNSBYKKI-GOSISDBHSA-N 1 0 397.544 3.532 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788596284 878194116 /nfs/dbraw/zinc/19/41/16/878194116.db2.gz YJNMETGHVPZVNH-WOJBJXKFSA-N 1 0 377.573 3.795 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000237902045 878272419 /nfs/dbraw/zinc/27/24/19/878272419.db2.gz AEXQJDTVKZRROL-HSZRJFAPSA-N 1 0 397.494 3.671 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000451682763 878337140 /nfs/dbraw/zinc/33/71/40/878337140.db2.gz QAQFUQRFXQCMHL-XQBPLPMBSA-N 1 0 382.529 3.545 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1-n1cccn1 ZINC000180001753 878342704 /nfs/dbraw/zinc/34/27/04/878342704.db2.gz KBJURCQVGSUVPD-UTKZUKDTSA-N 1 0 385.471 3.590 20 30 GHEDRO C=C(Br)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475352 878358721 /nfs/dbraw/zinc/35/87/21/878358721.db2.gz ZTOVLTBPGQBWKN-CHWSQXEVSA-N 1 0 383.252 3.550 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]2CCCC[C@H]12 ZINC000852494629 878375038 /nfs/dbraw/zinc/37/50/38/878375038.db2.gz DWXJWHFFWXKLBD-KURKYZTESA-N 1 0 376.884 3.796 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000031150137 878454755 /nfs/dbraw/zinc/45/47/55/878454755.db2.gz UVCVQTNXJNAFSA-GOSISDBHSA-N 1 0 376.504 3.626 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1F ZINC000852602247 878458651 /nfs/dbraw/zinc/45/86/51/878458651.db2.gz XTCROKVELQODSP-MRXNPFEDSA-N 1 0 397.416 3.710 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451792104 878509358 /nfs/dbraw/zinc/50/93/58/878509358.db2.gz SIPVPZWKIBQTIF-CVEARBPZSA-N 1 0 377.554 3.748 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852728660 878554237 /nfs/dbraw/zinc/55/42/37/878554237.db2.gz FQYLZUYUQUJEKV-LEWJYISDSA-N 1 0 385.895 3.888 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2ccc3c(cc[nH]c3=O)c2)ccc1O ZINC000789070776 878581479 /nfs/dbraw/zinc/58/14/79/878581479.db2.gz MMGUHTCBVACOFW-UHFFFAOYSA-N 1 0 378.476 3.912 20 30 GHEDRO CCn1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000451895957 878654987 /nfs/dbraw/zinc/65/49/87/878654987.db2.gz RQWPKJQFENVICJ-UONOGXRCSA-N 1 0 385.537 3.783 20 30 GHEDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000451903823 878670835 /nfs/dbraw/zinc/67/08/35/878670835.db2.gz FHSMOJINDGKOLJ-LJQANCHMSA-N 1 0 392.286 3.691 20 30 GHEDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000451933856 878701400 /nfs/dbraw/zinc/70/14/00/878701400.db2.gz CSUABKOXWDKOKN-HXUWFJFHSA-N 1 0 391.515 3.703 20 30 GHEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000616354063 878809703 /nfs/dbraw/zinc/80/97/03/878809703.db2.gz XYEHFKHNDSYKAU-OAHLLOKOSA-N 1 0 399.336 3.905 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460928297 878832615 /nfs/dbraw/zinc/83/26/15/878832615.db2.gz ALZATHYFOMIRCJ-VQIMIIECSA-N 1 0 398.511 3.596 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460956624 878907830 /nfs/dbraw/zinc/90/78/30/878907830.db2.gz FKHSLOZJTCROCZ-UHFFFAOYSA-N 1 0 383.540 3.582 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CSCCS1 ZINC000925240914 878931292 /nfs/dbraw/zinc/93/12/92/878931292.db2.gz DWFYLVURAXYMAX-HOTGVXAUSA-N 1 0 399.626 3.744 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068810641 879041930 /nfs/dbraw/zinc/04/19/30/879041930.db2.gz KJHDHAKRTDVCQP-JOCHJYFZSA-N 1 0 383.536 3.732 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000538276578 879170401 /nfs/dbraw/zinc/17/04/01/879170401.db2.gz JKZNXPSGNCIERY-OAQYLSRUSA-N 1 0 381.524 3.661 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc2ccccc2n1CC#N)Cc1ccccc1 ZINC000609162988 879177723 /nfs/dbraw/zinc/17/77/23/879177723.db2.gz LMFVNLNELBDRRU-NRFANRHFSA-N 1 0 388.515 3.848 20 30 GHEDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCOCC1 ZINC000193051592 879204524 /nfs/dbraw/zinc/20/45/24/879204524.db2.gz QZSBIELAJHSJRY-HXUWFJFHSA-N 1 0 386.540 3.746 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000853820144 879308310 /nfs/dbraw/zinc/30/83/10/879308310.db2.gz IKDTWUMWXFOELS-MRXNPFEDSA-N 1 0 383.521 3.600 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000452345949 879319439 /nfs/dbraw/zinc/31/94/39/879319439.db2.gz SVRITOFQMKHSPO-FQEVSTJZSA-N 1 0 395.503 3.971 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000531203828 879319903 /nfs/dbraw/zinc/31/99/03/879319903.db2.gz RBMLTQXNWZHISX-GOSISDBHSA-N 1 0 392.341 3.946 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000180880324 879440259 /nfs/dbraw/zinc/44/02/59/879440259.db2.gz RUTGQYYCTOBNSQ-JUUUUTHISA-N 1 0 395.434 3.795 20 30 GHEDRO COc1cc(C[NH+]2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)ccc1C#N ZINC001183345256 912461457 /nfs/dbraw/zinc/46/14/57/912461457.db2.gz GYPMVAWRAQUOTA-UHFFFAOYSA-N 1 0 399.560 3.890 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 ZINC000069069087 879487440 /nfs/dbraw/zinc/48/74/40/879487440.db2.gz VBRAXCNKSVBKDX-GOSISDBHSA-N 1 0 384.474 3.931 20 30 GHEDRO N#Cc1cccc(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000531390138 879764276 /nfs/dbraw/zinc/76/42/76/879764276.db2.gz YTTNTTGJHHAIOU-NRFANRHFSA-N 1 0 381.907 3.925 20 30 GHEDRO COc1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccc1C#N ZINC000854393804 879777169 /nfs/dbraw/zinc/77/71/69/879777169.db2.gz PXLHBPXEGYPQBF-MRXNPFEDSA-N 1 0 383.517 3.531 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493985681 879819441 /nfs/dbraw/zinc/81/94/41/879819441.db2.gz OIWSNBOSFZVLRG-HKUYNNGSSA-N 1 0 375.806 3.551 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2CC#N)CC1 ZINC000776748619 879906015 /nfs/dbraw/zinc/90/60/15/879906015.db2.gz UDTQDZHDIMNSAX-UHFFFAOYSA-N 1 0 396.922 3.729 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000247086338 879912606 /nfs/dbraw/zinc/91/26/06/879912606.db2.gz XGPRTZBKCGRMPU-YADHBBJMSA-N 1 0 396.579 3.766 20 30 GHEDRO C=CCOc1cccc(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000069296526 880084244 /nfs/dbraw/zinc/08/42/44/880084244.db2.gz DTVWIRPPDZRFOX-ROUUACIJSA-N 1 0 387.524 3.605 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1nc(C(F)(F)F)ccc1C#N ZINC000470037919 880257306 /nfs/dbraw/zinc/25/73/06/880257306.db2.gz GXJGHNSBAPKDPE-UHFFFAOYSA-N 1 0 384.352 3.818 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1c[nH]c2cc(F)ccc21)C(F)(F)F ZINC001183515474 912576371 /nfs/dbraw/zinc/57/63/71/912576371.db2.gz LNMOOVYGKHCGQP-GUYCJALGSA-N 1 0 383.389 3.720 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000218887757 880526463 /nfs/dbraw/zinc/52/64/63/880526463.db2.gz HKTVSBPFQLCFNS-UONOGXRCSA-N 1 0 383.330 3.921 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000776829635 880725424 /nfs/dbraw/zinc/72/54/24/880725424.db2.gz WUXKUMUUOCLJDK-CJNGLKHVSA-N 1 0 381.423 3.506 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000453334555 880803422 /nfs/dbraw/zinc/80/34/22/880803422.db2.gz XEUIIUMBWYNBKZ-KRWDZBQOSA-N 1 0 376.504 3.832 20 30 GHEDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000429524215 880825311 /nfs/dbraw/zinc/82/53/11/880825311.db2.gz ZIMDIIRNVFRUAK-UXHICEINSA-N 1 0 398.482 3.591 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000453442616 880904584 /nfs/dbraw/zinc/90/45/84/880904584.db2.gz PMZNEXIORKRNRO-VQTJNVASSA-N 1 0 387.572 3.798 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453464411 880967552 /nfs/dbraw/zinc/96/75/52/880967552.db2.gz LFTLBXYEFZPPNY-ZVDOUQERSA-N 1 0 395.551 3.805 20 30 GHEDRO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nc1Cl ZINC000856170063 881007071 /nfs/dbraw/zinc/00/70/71/881007071.db2.gz ZRAKUOYJJVKLCE-SFHVURJKSA-N 1 0 394.906 3.639 20 30 GHEDRO CCn1cc([C@H](O)C[N@H+](CC#Cc2ccc(F)cc2)Cc2ccccc2)cn1 ZINC000792363638 881057256 /nfs/dbraw/zinc/05/72/56/881057256.db2.gz BETQUSWHAUNJRB-HSZRJFAPSA-N 1 0 377.463 3.629 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453665380 881253788 /nfs/dbraw/zinc/25/37/88/881253788.db2.gz FMXJFYQAPCDJNK-NRFANRHFSA-N 1 0 383.536 3.769 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]([NH2+]C(C)C)C2)c1C#N ZINC000609385850 883131162 /nfs/dbraw/zinc/13/11/62/883131162.db2.gz FUYKHUWPZMMXHP-LJQANCHMSA-N 1 0 399.583 3.883 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N(CC[NH+](C)C)c2ccccc2)cc1OC ZINC000116123759 883141468 /nfs/dbraw/zinc/14/14/68/883141468.db2.gz NMBVXIXJBJZQID-WYMLVPIESA-N 1 0 380.488 3.868 20 30 GHEDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000182089506 883180788 /nfs/dbraw/zinc/18/07/88/883180788.db2.gz KBWGWUNPDZUOLK-IBGZPJMESA-N 1 0 388.519 3.652 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000609515987 883286711 /nfs/dbraw/zinc/28/67/11/883286711.db2.gz XUXGHDJBEAGTBP-UXHICEINSA-N 1 0 375.472 3.902 20 30 GHEDRO N#Cc1ccc(-n2nccc2NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000609581015 883377779 /nfs/dbraw/zinc/37/77/79/883377779.db2.gz OLMAJJZACFVZKD-UHFFFAOYSA-N 1 0 385.471 3.595 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000609583555 883378673 /nfs/dbraw/zinc/37/86/73/883378673.db2.gz OZYCYNGFQUYSSH-QGZVFWFLSA-N 1 0 377.488 3.597 20 30 GHEDRO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001183625891 912711435 /nfs/dbraw/zinc/71/14/35/912711435.db2.gz QIXJFAZPALVDGX-QFIPXVFZSA-N 1 0 393.572 3.710 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc4ccccc4n3)CC2)cc1 ZINC000609640038 883467519 /nfs/dbraw/zinc/46/75/19/883467519.db2.gz NQYYPTPIPCFRST-UHFFFAOYSA-N 1 0 399.498 3.524 20 30 GHEDRO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000859188076 883647096 /nfs/dbraw/zinc/64/70/96/883647096.db2.gz ZYRUNDVYJGCPBL-NRFANRHFSA-N 1 0 375.516 3.517 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@@H](C)C1 ZINC000859419074 883805705 /nfs/dbraw/zinc/80/57/05/883805705.db2.gz JMCSSLPOCFFVAZ-UGKGYDQZSA-N 1 0 397.563 3.623 20 30 GHEDRO C=CCC(C)(C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000551419682 883843261 /nfs/dbraw/zinc/84/32/61/883843261.db2.gz BTZNDFFQOPDQNR-UHFFFAOYSA-N 1 0 383.458 3.676 20 30 GHEDRO N#Cc1cc(Br)ccc1COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000805543814 883889740 /nfs/dbraw/zinc/88/97/40/883889740.db2.gz NZBLSPQNEAYHLW-QGZVFWFLSA-N 1 0 377.282 3.771 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCSCC#N)CC[C@@H]1C(F)(F)F ZINC000859604555 883927113 /nfs/dbraw/zinc/92/71/13/883927113.db2.gz JMHULFXTBFEBQV-KGLIPLIRSA-N 1 0 395.491 3.658 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1C(F)(F)F ZINC000859605017 883928940 /nfs/dbraw/zinc/92/89/40/883928940.db2.gz AUHVOWXTWPUXGN-KBUPBQIOSA-N 1 0 375.435 3.704 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000805793826 884081003 /nfs/dbraw/zinc/08/10/03/884081003.db2.gz KESJNFHFHARWDB-JOCHJYFZSA-N 1 0 385.508 3.660 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000897616746 884170700 /nfs/dbraw/zinc/17/07/00/884170700.db2.gz XWORRIYXYYBLQN-HIFRSBDPSA-N 1 0 376.382 3.776 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000498380622 884227720 /nfs/dbraw/zinc/22/77/20/884227720.db2.gz LCAGQBNETXTYGK-UXHICEINSA-N 1 0 381.907 3.906 20 30 GHEDRO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)c2ccccc2O1 ZINC000860058409 884298336 /nfs/dbraw/zinc/29/83/36/884298336.db2.gz CQRFMLKDWGAONR-HXUWFJFHSA-N 1 0 389.499 3.726 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643723351 912822850 /nfs/dbraw/zinc/82/28/50/912822850.db2.gz JDTCUCCESNGXAD-OALUTQOASA-N 1 0 383.565 3.743 20 30 GHEDRO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](NC(=O)C(=C)C)c1ccnc2ccc(OC)cc21 ZINC001142515328 884423054 /nfs/dbraw/zinc/42/30/54/884423054.db2.gz GQMFAVXSJXQNIH-DODAUVCRSA-N 1 0 391.515 3.873 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000806261477 884515795 /nfs/dbraw/zinc/51/57/95/884515795.db2.gz KHQNTMMCBOHVOK-OAQYLSRUSA-N 1 0 379.504 3.773 20 30 GHEDRO CCCCC1N=NC(=S)N1N=Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CC)c1C ZINC000914691833 884523029 /nfs/dbraw/zinc/52/30/29/884523029.db2.gz GABNFFWCZLZCMS-GOSISDBHSA-N 1 0 388.585 3.694 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000176575004 884560074 /nfs/dbraw/zinc/56/00/74/884560074.db2.gz NRTNJDIUDQVVJZ-RTBURBONSA-N 1 0 393.572 3.617 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCN1c1ccccc1 ZINC000898068633 884583707 /nfs/dbraw/zinc/58/37/07/884583707.db2.gz PTOJVXYHPYNKCP-IBGZPJMESA-N 1 0 386.503 3.569 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)cc1 ZINC000898168884 884625065 /nfs/dbraw/zinc/62/50/65/884625065.db2.gz STGFOFUKSLJTEJ-KUHUBIRLSA-N 1 0 389.293 3.737 20 30 GHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000127594106 884630970 /nfs/dbraw/zinc/63/09/70/884630970.db2.gz PREMLLKLSGIUTD-HZPDHXFCSA-N 1 0 379.460 3.801 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4ncsc4c3)CC2)cc1 ZINC000193186789 884639141 /nfs/dbraw/zinc/63/91/41/884639141.db2.gz ZYBMOEOQDDFOCS-UHFFFAOYSA-N 1 0 391.500 3.908 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[NH+]2CCCC2)c1 ZINC000102954514 884652744 /nfs/dbraw/zinc/65/27/44/884652744.db2.gz OLWNGAOJWFFSNU-HXUWFJFHSA-N 1 0 382.439 3.665 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126681715 884661482 /nfs/dbraw/zinc/66/14/82/884661482.db2.gz PLTBGIUXVBCNSU-UGKGYDQZSA-N 1 0 375.516 3.887 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(F)c(NC(C)=O)c1)C(C)C ZINC000044015518 884729815 /nfs/dbraw/zinc/72/98/15/884729815.db2.gz RUNNINKUPJASJW-IBGZPJMESA-N 1 0 376.476 3.604 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)CC1 ZINC000106039164 884936237 /nfs/dbraw/zinc/93/62/37/884936237.db2.gz LTQVYILVDLHQEZ-UHFFFAOYSA-N 1 0 386.927 3.913 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000103474943 885024477 /nfs/dbraw/zinc/02/44/77/885024477.db2.gz PICDKTPWJJQBEY-QHCPKHFHSA-N 1 0 399.498 3.618 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130709486 885033305 /nfs/dbraw/zinc/03/33/05/885033305.db2.gz ZYDNXXXVBHVNJU-LJQANCHMSA-N 1 0 388.512 3.660 20 30 GHEDRO Cc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2nccn2c1 ZINC000860856377 885056573 /nfs/dbraw/zinc/05/65/73/885056573.db2.gz IPOWQXUHUDYCMK-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN(CC#N)C2CCCC2)c1=S ZINC000153392310 885076043 /nfs/dbraw/zinc/07/60/43/885076043.db2.gz NAVPXXMVCMVREB-KRWDZBQOSA-N 1 0 378.590 3.953 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000807017278 885184863 /nfs/dbraw/zinc/18/48/63/885184863.db2.gz CABJSSPWQJGLDM-OOMBGRCJSA-N 1 0 381.564 3.963 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000121865127 885390237 /nfs/dbraw/zinc/39/02/37/885390237.db2.gz VUOWIUOXQGQRCZ-IAGOWNOFSA-N 1 0 387.505 3.910 20 30 GHEDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000104413082 885445323 /nfs/dbraw/zinc/44/53/23/885445323.db2.gz FHGOBMIBJIFNRZ-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000915045344 885538279 /nfs/dbraw/zinc/53/82/79/885538279.db2.gz BDVYBJUPKRVMEG-OAQYLSRUSA-N 1 0 394.515 3.827 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1C ZINC000498777263 885683367 /nfs/dbraw/zinc/68/33/67/885683367.db2.gz MBUBIRMAODPICN-QGZVFWFLSA-N 1 0 393.535 3.542 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)CC1 ZINC000108533836 885736489 /nfs/dbraw/zinc/73/64/89/885736489.db2.gz VEJJXOLRFBBXGG-UHFFFAOYSA-N 1 0 385.537 3.599 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000762222339 885773529 /nfs/dbraw/zinc/77/35/29/885773529.db2.gz JBBHISRRTCGTQC-LGMDPLHJSA-N 1 0 384.829 3.890 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)cc1 ZINC000487919099 885892220 /nfs/dbraw/zinc/89/22/20/885892220.db2.gz SSOLRUVPZWARHM-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000106275579 886030903 /nfs/dbraw/zinc/03/09/03/886030903.db2.gz IAOAFLVPZUWWCA-QGZVFWFLSA-N 1 0 382.508 3.757 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000498899648 886050098 /nfs/dbraw/zinc/05/00/98/886050098.db2.gz GYOHPKLZBQSTHY-UHFFFAOYSA-N 1 0 391.556 3.618 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1=S ZINC000808192213 886090358 /nfs/dbraw/zinc/09/03/58/886090358.db2.gz RCTBZFYMGCDKQC-MJGOQNOKSA-N 1 0 398.580 3.568 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000556780563 886122819 /nfs/dbraw/zinc/12/28/19/886122819.db2.gz UQYDJVWUFPUXEI-HXUWFJFHSA-N 1 0 385.870 3.847 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000556836824 886302655 /nfs/dbraw/zinc/30/26/55/886302655.db2.gz CAKHVIITKOXULF-BDTNDASRSA-N 1 0 380.513 3.600 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000153564391 886319160 /nfs/dbraw/zinc/31/91/60/886319160.db2.gz SOXRXVAGBMDTIW-IBGZPJMESA-N 1 0 376.500 3.902 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCN3CCCc4ccccc43)CC2)c(F)c1 ZINC000556842149 886326820 /nfs/dbraw/zinc/32/68/20/886326820.db2.gz UTAVQBGJCSLTOU-UHFFFAOYSA-N 1 0 379.479 3.993 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000747500023 886405886 /nfs/dbraw/zinc/40/58/86/886405886.db2.gz QEKAMXPEWOXEGN-OAQYLSRUSA-N 1 0 398.551 3.964 20 30 GHEDRO Cc1cc(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1Cl ZINC000499048227 886448592 /nfs/dbraw/zinc/44/85/92/886448592.db2.gz NKMGALGNZRGJAB-KRWDZBQOSA-N 1 0 399.922 3.878 20 30 GHEDRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000556881158 886480088 /nfs/dbraw/zinc/48/00/88/886480088.db2.gz FSZGFOOWXVBPJO-UHFFFAOYSA-N 1 0 386.521 3.957 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@](C)(C#N)C3CCCCC3)cc2)CC1 ZINC000550748644 886640547 /nfs/dbraw/zinc/64/05/47/886640547.db2.gz VMWNNFZVQARJSA-QHCPKHFHSA-N 1 0 382.552 3.809 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(O)cc(Cl)c1)CC2 ZINC001275294077 913071131 /nfs/dbraw/zinc/07/11/31/913071131.db2.gz ILGHTHSOORUVTA-UHFFFAOYSA-N 1 0 375.900 3.554 20 30 GHEDRO CC(C)[NH2+]C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000171691477 886785079 /nfs/dbraw/zinc/78/50/79/886785079.db2.gz YKZGEUSPWWBBFA-UHFFFAOYSA-N 1 0 388.581 3.680 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc(CC#N)cc1 ZINC000808826805 886828304 /nfs/dbraw/zinc/82/83/04/886828304.db2.gz UTJYMWAUWHKOAK-UHFFFAOYSA-N 1 0 393.487 3.812 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000808838777 886857931 /nfs/dbraw/zinc/85/79/31/886857931.db2.gz DMANLGDFAHRIQW-QAPCUYQASA-N 1 0 382.439 3.513 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)cc1Cl ZINC000237632858 886970740 /nfs/dbraw/zinc/97/07/40/886970740.db2.gz GOSJRSOATPMZBN-IBGZPJMESA-N 1 0 390.911 3.969 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCCC3(CC3)CC2)c1=S ZINC000863330766 887035792 /nfs/dbraw/zinc/03/57/92/887035792.db2.gz SBJOHASNMYXYLK-UHFFFAOYSA-N 1 0 389.613 3.852 20 30 GHEDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000105018485 887225393 /nfs/dbraw/zinc/22/53/93/887225393.db2.gz NOQNCZDZGJQPEW-UHFFFAOYSA-N 1 0 396.491 3.701 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000915732270 887371296 /nfs/dbraw/zinc/37/12/96/887371296.db2.gz XLEPUPSPORXFQA-CLFYSBASSA-N 1 0 384.520 3.608 20 30 GHEDRO C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272400191 887388269 /nfs/dbraw/zinc/38/82/69/887388269.db2.gz YSQFCIAJAJVXKN-GCJKJVERSA-N 1 0 376.504 3.610 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670229756 887698999 /nfs/dbraw/zinc/69/89/99/887698999.db2.gz QFXMPXNUIHZJCY-FQEVSTJZSA-N 1 0 388.519 3.627 20 30 GHEDRO C#C[C@H]([NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)C(C)(C)C ZINC000809781580 887833352 /nfs/dbraw/zinc/83/33/52/887833352.db2.gz WUHSASWFIFVLHT-SFHVURJKSA-N 1 0 391.353 4.000 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000809926072 887979379 /nfs/dbraw/zinc/97/93/79/887979379.db2.gz UCIORKNYAGVACM-UHFFFAOYSA-N 1 0 386.931 3.634 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC000810164413 888222290 /nfs/dbraw/zinc/22/22/90/888222290.db2.gz WQVVCGSDQZOEBQ-DRSNIGMVSA-N 1 0 387.524 3.960 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000105284410 888284111 /nfs/dbraw/zinc/28/41/11/888284111.db2.gz UXGXYROOTSSVKN-UHFFFAOYSA-N 1 0 399.560 3.603 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)ccc1C#N ZINC000810250785 888352050 /nfs/dbraw/zinc/35/20/50/888352050.db2.gz QBJFECFJGAFLQM-LJQANCHMSA-N 1 0 379.460 3.710 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]Cc3ccc(C#N)cn3)cc2C1 ZINC000865537758 888421393 /nfs/dbraw/zinc/42/13/93/888421393.db2.gz MTNVAIZIFNMKIU-UHFFFAOYSA-N 1 0 384.505 3.598 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000810418791 888483249 /nfs/dbraw/zinc/48/32/49/888483249.db2.gz ZTIUZAKAVOVCLK-GFCCVEGCSA-N 1 0 378.332 3.542 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)cc1OCCCC#N ZINC000865669727 888508450 /nfs/dbraw/zinc/50/84/50/888508450.db2.gz JIPJGDLFUHUBHN-UHFFFAOYSA-N 1 0 396.487 3.887 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cc(OC)c3c(c2)OCCO3)cc(OC)c1OC ZINC000729683559 888510939 /nfs/dbraw/zinc/51/09/39/888510939.db2.gz ZRYCTTYNSBJERV-UHFFFAOYSA-N 1 0 385.460 3.502 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3F)cc2)C1 ZINC000609240269 888521369 /nfs/dbraw/zinc/52/13/69/888521369.db2.gz YLOUTRKIJNQBOO-QGZVFWFLSA-N 1 0 394.494 3.929 20 30 GHEDRO CN(c1ccccc1C=[NH+][N-]c1ncnc2sccc21)C1CC[NH+](C)CC1 ZINC000915956148 888573596 /nfs/dbraw/zinc/57/35/96/888573596.db2.gz PMDANAJDVYWQGX-UHFFFAOYSA-N 1 0 380.521 3.668 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ccc(C(F)(F)F)cn2)CC1 ZINC000915937676 888579089 /nfs/dbraw/zinc/57/90/89/888579089.db2.gz RWQIIMZCBCREPG-UHFFFAOYSA-N 1 0 397.832 3.952 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810580764 888657913 /nfs/dbraw/zinc/65/79/13/888657913.db2.gz LJRTYMSOYXHHJJ-QFIPXVFZSA-N 1 0 387.499 3.652 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC001211975616 888772111 /nfs/dbraw/zinc/77/21/11/888772111.db2.gz MGIOFLFMFFBASM-IRXDYDNUSA-N 1 0 389.496 3.832 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465536469 889546909 /nfs/dbraw/zinc/54/69/09/889546909.db2.gz AOIOYXMPKZYJRI-YUVXSKOASA-N 1 0 382.552 3.836 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2ccc(Br)cc2C#N)C1 ZINC000811445048 889600697 /nfs/dbraw/zinc/60/06/97/889600697.db2.gz OJACKWYWTVYUCQ-QGZVFWFLSA-N 1 0 383.261 3.576 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@H](C)[N@H+]1C ZINC000454716249 889603681 /nfs/dbraw/zinc/60/36/81/889603681.db2.gz NZYKZEPEPRGYGN-IYBDPMFKSA-N 1 0 396.466 3.833 20 30 GHEDRO C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000533046528 889610921 /nfs/dbraw/zinc/61/09/21/889610921.db2.gz FQNGUKCEJYGSSH-UPVQGACJSA-N 1 0 375.516 3.930 20 30 GHEDRO C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000533046529 889611659 /nfs/dbraw/zinc/61/16/59/889611659.db2.gz FQNGUKCEJYGSSH-VWNXMTODSA-N 1 0 375.516 3.930 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245758093 889654848 /nfs/dbraw/zinc/65/48/48/889654848.db2.gz YUBXDBBLFUJTHP-YLJYHZDGSA-N 1 0 385.870 3.968 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@H]1C(F)(F)F ZINC001168517167 889777175 /nfs/dbraw/zinc/77/71/75/889777175.db2.gz DNXIKFLOXWBCJD-TUVASFSCSA-N 1 0 375.435 3.989 20 30 GHEDRO N#Cc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ncc1Br ZINC001184680679 913384383 /nfs/dbraw/zinc/38/43/83/913384383.db2.gz CKRPFQCGLURGEO-UHFFFAOYSA-N 1 0 389.272 3.567 20 30 GHEDRO N#CCc1ccsc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000869291610 889869981 /nfs/dbraw/zinc/86/99/81/889869981.db2.gz GTJCCIXWSVRQTI-IBGZPJMESA-N 1 0 379.529 3.846 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)Nc1ccc(C#N)cc1)CC2 ZINC001184726301 913396854 /nfs/dbraw/zinc/39/68/54/913396854.db2.gz WJOWZJQSDAPIAH-UHFFFAOYSA-N 1 0 389.503 3.862 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 ZINC000125291722 889940872 /nfs/dbraw/zinc/94/08/72/889940872.db2.gz LGMLLTHRAKKAMU-ROUUACIJSA-N 1 0 392.503 3.684 20 30 GHEDRO C#C[C@@H](NC(=O)NCC[N@@H+](CC)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000812205252 890430510 /nfs/dbraw/zinc/43/05/10/890430510.db2.gz RMBXYYUOWAIJMN-OAHLLOKOSA-N 1 0 375.822 3.588 20 30 GHEDRO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCC(=O)Nc2sccc2C#N)cn1 ZINC000533448521 890564615 /nfs/dbraw/zinc/56/46/15/890564615.db2.gz PLBCLYUDMOFFEA-IBGZPJMESA-N 1 0 397.479 3.542 20 30 GHEDRO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCC(=O)Nc2sccc2C#N)cn1 ZINC000533448522 890564817 /nfs/dbraw/zinc/56/48/17/890564817.db2.gz PLBCLYUDMOFFEA-LJQANCHMSA-N 1 0 397.479 3.542 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000533446939 890610815 /nfs/dbraw/zinc/61/08/15/890610815.db2.gz MQQWTCDIXQEVLK-MRXNPFEDSA-N 1 0 383.467 3.843 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000287703055 913496110 /nfs/dbraw/zinc/49/61/10/913496110.db2.gz MQXPUPBKIRJYGC-QGZVFWFLSA-N 1 0 380.492 3.885 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000812874564 891053628 /nfs/dbraw/zinc/05/36/28/891053628.db2.gz CROGKVXXGRHIQZ-OAQYLSRUSA-N 1 0 383.442 3.603 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)OCC ZINC000533679640 891090648 /nfs/dbraw/zinc/09/06/48/891090648.db2.gz XPVZUCQZTNIUMY-HXUWFJFHSA-N 1 0 387.524 3.811 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000812892469 891105210 /nfs/dbraw/zinc/10/52/10/891105210.db2.gz QPRFKHIQYCJRQY-HSQYWUDLSA-N 1 0 379.479 3.710 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000812936670 891144792 /nfs/dbraw/zinc/14/47/92/891144792.db2.gz TXQXJHKEMVIYBE-UPVQGACJSA-N 1 0 391.490 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)c2ccccc21 ZINC000872220614 891212765 /nfs/dbraw/zinc/21/27/65/891212765.db2.gz QKAIDKGZJLYOTN-IAGOWNOFSA-N 1 0 387.524 3.806 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000872222065 891212798 /nfs/dbraw/zinc/21/27/98/891212798.db2.gz MZYDWBVRGWIAIL-FQEVSTJZSA-N 1 0 389.421 3.869 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278454 891225248 /nfs/dbraw/zinc/22/52/48/891225248.db2.gz QQHZCPXJDHMDMK-UTKZUKDTSA-N 1 0 387.499 3.884 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609252646 891260672 /nfs/dbraw/zinc/26/06/72/891260672.db2.gz XPIJCSOQDNYDKI-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO C[C@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000428824735 891286640 /nfs/dbraw/zinc/28/66/40/891286640.db2.gz PJPDLVJMWKHGNE-OTWHNJEPSA-N 1 0 398.551 3.540 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000747838951 891307150 /nfs/dbraw/zinc/30/71/50/891307150.db2.gz SXWVEFLJWWMFBL-INIZCTEOSA-N 1 0 382.508 3.537 20 30 GHEDRO Cn1cc(CNCc2noc3c2CC(C)(C)CC3)c(-c2ccc(C#N)cc2)n1 ZINC000873174334 891500343 /nfs/dbraw/zinc/50/03/43/891500343.db2.gz FHHODAWEDYCHFT-UHFFFAOYSA-N 1 0 375.476 3.751 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873308904 891573830 /nfs/dbraw/zinc/57/38/30/891573830.db2.gz NIQNOFOFDCAFQK-WMZHIEFXSA-N 1 0 390.487 3.519 20 30 GHEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000614923454 891601164 /nfs/dbraw/zinc/60/11/64/891601164.db2.gz AJYUGZHYESKUHM-INIZCTEOSA-N 1 0 389.805 3.584 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)CC1 ZINC000747862811 891802309 /nfs/dbraw/zinc/80/23/09/891802309.db2.gz FJNNZIUOMCVGDE-UHFFFAOYSA-N 1 0 382.464 3.896 20 30 GHEDRO CCS(=O)(=O)c1ccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)s1 ZINC000262427554 892273893 /nfs/dbraw/zinc/27/38/93/892273893.db2.gz DECNQHDOQWUNJI-UHFFFAOYSA-N 1 0 391.562 3.996 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)CC1 ZINC000533723857 892288821 /nfs/dbraw/zinc/28/88/21/892288821.db2.gz UYLHVJZYAMOTEQ-HXUWFJFHSA-N 1 0 395.551 3.559 20 30 GHEDRO Cc1cc(CN2CCCN(c3ccc(C#N)cn3)CC2)ccc1Br ZINC001137616640 892449302 /nfs/dbraw/zinc/44/93/02/892449302.db2.gz UUJZSEQAHBKHLV-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000814248678 892460885 /nfs/dbraw/zinc/46/08/85/892460885.db2.gz DWEFFJKSJMQGME-HOTGVXAUSA-N 1 0 392.459 3.583 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000455633858 892874537 /nfs/dbraw/zinc/87/45/37/892874537.db2.gz DBWQNDRTIIQNHA-UHFFFAOYSA-N 1 0 392.809 3.938 20 30 GHEDRO N#CCc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000455703775 893045088 /nfs/dbraw/zinc/04/50/88/893045088.db2.gz MTXIFUFGIOVWLY-UHFFFAOYSA-N 1 0 383.883 3.587 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000933502194 893061927 /nfs/dbraw/zinc/06/19/27/893061927.db2.gz LZDMDFJCGSKMIB-XMSQKQJNSA-N 1 0 391.556 3.856 20 30 GHEDRO O=C(CC[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1cc(Cl)ccc1Cl ZINC000933649542 893114956 /nfs/dbraw/zinc/11/49/56/893114956.db2.gz FUYMEGPRAVIAGV-UHFFFAOYSA-N 1 0 383.275 3.660 20 30 GHEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000933718336 893170755 /nfs/dbraw/zinc/17/07/55/893170755.db2.gz WMTBDLPFCXQDQY-HNNXBMFYSA-N 1 0 376.382 3.625 20 30 GHEDRO C[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562924446 893171175 /nfs/dbraw/zinc/17/11/75/893171175.db2.gz IUKUNLOJBUDWJF-HOCLYGCPSA-N 1 0 383.883 3.639 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(OCC)c(OCC)cc1Br ZINC000876613160 893256872 /nfs/dbraw/zinc/25/68/72/893256872.db2.gz JUXSLIXRGVCONV-NSHDSACASA-N 1 0 391.693 3.655 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000876656866 893277081 /nfs/dbraw/zinc/27/70/81/893277081.db2.gz HJYHHBZXDWJLRC-LSDHHAIUSA-N 1 0 391.924 3.782 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)CC1 ZINC000455778357 893301546 /nfs/dbraw/zinc/30/15/46/893301546.db2.gz UTROEIVCOYKXLD-QGZVFWFLSA-N 1 0 384.524 3.931 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000876902006 893379601 /nfs/dbraw/zinc/37/96/01/893379601.db2.gz JWYXKEBOVKCXIL-RDJZCZTQSA-N 1 0 394.947 3.758 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC000815154372 893492467 /nfs/dbraw/zinc/49/24/67/893492467.db2.gz AJRDTCSDPDKDDE-JTSKRJEESA-N 1 0 380.463 3.680 20 30 GHEDRO COC(=O)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1Br ZINC000877115112 893492390 /nfs/dbraw/zinc/49/23/90/893492390.db2.gz BLFDTIAKRPIMMN-UHFFFAOYSA-N 1 0 385.261 3.886 20 30 GHEDRO C=CC[N@@H+](Cc1c(C)nn(CCC)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675172 893513058 /nfs/dbraw/zinc/51/30/58/893513058.db2.gz BZAUBOBXTUQUQK-KRWDZBQOSA-N 1 0 379.512 3.635 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc(OC)c1OC ZINC000918348697 893533627 /nfs/dbraw/zinc/53/36/27/893533627.db2.gz RBPSZZCUWDIJCQ-LJQANCHMSA-N 1 0 386.467 3.604 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)C[C@@H]1c1ccc(Br)cc1 ZINC000877460437 893622562 /nfs/dbraw/zinc/62/25/62/893622562.db2.gz SZNUGUJWKPZVFH-IEBWSBKVSA-N 1 0 385.309 3.641 20 30 GHEDRO [NH3+][C@H](CC(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000498215108 893628334 /nfs/dbraw/zinc/62/83/34/893628334.db2.gz BQIPUJIWALRJTC-SSDOTTSWSA-N 1 0 378.313 3.984 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C(C)(C)C1 ZINC000877503690 893649947 /nfs/dbraw/zinc/64/99/47/893649947.db2.gz UEONVZFEPHJWMJ-HNNXBMFYSA-N 1 0 378.904 3.732 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000459516095 893682971 /nfs/dbraw/zinc/68/29/71/893682971.db2.gz ATIDHIVSJFWZEG-QFIPXVFZSA-N 1 0 377.488 3.770 20 30 GHEDRO COC(=O)C1(C#N)CCN(C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877566090 893692948 /nfs/dbraw/zinc/69/29/48/893692948.db2.gz DDCZFWNDARTRDG-XMMPIXPASA-N 1 0 397.563 3.704 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCNc2c(Br)cccc2C#N)cc1 ZINC001185313782 913801955 /nfs/dbraw/zinc/80/19/55/913801955.db2.gz OXCWFMMHGRHMCB-UHFFFAOYSA-N 1 0 388.309 3.916 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1C#N ZINC000194668510 893771414 /nfs/dbraw/zinc/77/14/14/893771414.db2.gz KOYUQRXYZILBSY-AUSJPIAWSA-N 1 0 382.508 3.971 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)c(-c2ccncc2)n1 ZINC000877810482 893821132 /nfs/dbraw/zinc/82/11/32/893821132.db2.gz GVPFQTBZGNQBFY-DEOSSOPVSA-N 1 0 383.499 3.949 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2CCCC2(C#N)CCOCC2)C1 ZINC000934741072 893865471 /nfs/dbraw/zinc/86/54/71/893865471.db2.gz MHQIGXGUJAXZOX-NRFANRHFSA-N 1 0 377.529 3.562 20 30 GHEDRO COc1cc(C)c(CN(C)CC[C@](C#N)(C(C)=O)c2ccccc2)cc1OC ZINC000877904179 893882552 /nfs/dbraw/zinc/88/25/52/893882552.db2.gz FEJCWRWRXKVSFK-QHCPKHFHSA-N 1 0 380.488 3.885 20 30 GHEDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000536830943 893940363 /nfs/dbraw/zinc/94/03/63/893940363.db2.gz GCFABOOWIZRKLL-HTQZYQBOSA-N 1 0 379.272 3.853 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1)CC(F)(F)F ZINC000878163048 894062349 /nfs/dbraw/zinc/06/23/49/894062349.db2.gz SYVBXMMPDNHIMU-ICSRJNTNSA-N 1 0 395.469 3.633 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1 ZINC000815674574 894102846 /nfs/dbraw/zinc/10/28/46/894102846.db2.gz HIGNUHMAERFYAI-UHFFFAOYSA-N 1 0 399.535 3.831 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc(CC)cc2)cc1 ZINC000022692343 894283884 /nfs/dbraw/zinc/28/38/84/894283884.db2.gz XWBQAIQVGPQJHA-HXUWFJFHSA-O 1 0 397.564 3.806 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000537141441 894401432 /nfs/dbraw/zinc/40/14/32/894401432.db2.gz VTMUKWVCWZWKPH-CYBMUJFWSA-N 1 0 382.407 3.702 20 30 GHEDRO C[C@H](c1cccc(NC(=O)N(C)CCc2cccc(C#N)c2)c1)N1CCOCC1 ZINC000878627505 894453729 /nfs/dbraw/zinc/45/37/29/894453729.db2.gz PRULXZMNKXYWCA-GOSISDBHSA-N 1 0 392.503 3.658 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000564078672 894555300 /nfs/dbraw/zinc/55/53/00/894555300.db2.gz VQQXTPPYVWQFHH-XFQXTVEOSA-N 1 0 390.405 3.657 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001135450194 894605304 /nfs/dbraw/zinc/60/53/04/894605304.db2.gz CWJXZUSIWAFNGX-QGZVFWFLSA-N 1 0 381.561 3.617 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC000460064864 894619384 /nfs/dbraw/zinc/61/93/84/894619384.db2.gz UCLHJGDXWZLUQF-UHFFFAOYSA-N 1 0 386.908 3.716 20 30 GHEDRO C=CCCC[C@@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000878944912 894741961 /nfs/dbraw/zinc/74/19/61/894741961.db2.gz DOTLUWZSLKDKJB-HSZRJFAPSA-N 1 0 383.580 3.613 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000564293459 894828472 /nfs/dbraw/zinc/82/84/72/894828472.db2.gz MCVOYMKMZJVNQK-MJGOQNOKSA-N 1 0 396.560 3.709 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000564636025 895147402 /nfs/dbraw/zinc/14/74/02/895147402.db2.gz MDXYNQVKBLWOKJ-HSZRJFAPSA-N 1 0 392.478 3.505 20 30 GHEDRO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCCCC(C)(C)C#N)C2)cn1 ZINC000879606138 895169935 /nfs/dbraw/zinc/16/99/35/895169935.db2.gz QLWPHGADHRIHQF-MSOLQXFVSA-N 1 0 388.556 3.887 20 30 GHEDRO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000879697869 895239111 /nfs/dbraw/zinc/23/91/11/895239111.db2.gz MECNUQWURRZEGV-HNNXBMFYSA-N 1 0 377.554 3.939 20 30 GHEDRO CN(Cc1ccccc1)CC(C)(C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000564776131 895240915 /nfs/dbraw/zinc/24/09/15/895240915.db2.gz UDKSXYNLELECNA-JOCHJYFZSA-N 1 0 390.531 3.554 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879998089 895437489 /nfs/dbraw/zinc/43/74/89/895437489.db2.gz KTAWGGFUHRUCFT-DFBJGRDBSA-N 1 0 394.478 3.814 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC12CC[NH+](CCCC1(C#N)CCOCC1)CC2 ZINC000817287049 895438713 /nfs/dbraw/zinc/43/87/13/895438713.db2.gz FQVDSWLUJUFBIB-UHFFFAOYSA-N 1 0 377.529 3.562 20 30 GHEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CC(OC(C)(C)C)C1 ZINC000817287767 895442439 /nfs/dbraw/zinc/44/24/39/895442439.db2.gz QHHXAWXBOPVKKW-OFLPRAFFSA-N 1 0 378.476 3.502 20 30 GHEDRO C[C@]12CN(Cc3nnc(-c4cccc(C#N)c4)o3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880021131 895454859 /nfs/dbraw/zinc/45/48/59/895454859.db2.gz YVMFULAMVLFBPJ-QPPBQGQZSA-N 1 0 399.498 3.562 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000565292450 895512263 /nfs/dbraw/zinc/51/22/63/895512263.db2.gz UUYBFZOOODXABV-QFIPXVFZSA-N 1 0 376.460 3.958 20 30 GHEDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817418271 895593551 /nfs/dbraw/zinc/59/35/51/895593551.db2.gz ISLFSNGYKDIISU-SOLBZPMBSA-N 1 0 397.523 3.577 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880576287 895754112 /nfs/dbraw/zinc/75/41/12/895754112.db2.gz UTYGUSIIQOCYMZ-SFHVURJKSA-N 1 0 387.549 3.769 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC001136081971 895993775 /nfs/dbraw/zinc/99/37/75/895993775.db2.gz XODKFNQGQWLRTO-XXBNENTESA-N 1 0 377.532 3.806 20 30 GHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)C2)CC1 ZINC000880930639 896008524 /nfs/dbraw/zinc/00/85/24/896008524.db2.gz WZIOJXXTYBFVQW-QZTJIDSGSA-N 1 0 394.441 3.535 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cc(C#N)c(F)cc2C)CC1 ZINC000880991257 896050204 /nfs/dbraw/zinc/05/02/04/896050204.db2.gz VIWGMSYRWADGKY-UHFFFAOYSA-N 1 0 390.503 3.608 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881134359 896180441 /nfs/dbraw/zinc/18/04/41/896180441.db2.gz IMPMWFCMQNBODH-JOCHJYFZSA-N 1 0 389.503 3.507 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000818593073 896229818 /nfs/dbraw/zinc/22/98/18/896229818.db2.gz KKFQPKGMMOZAJA-UHFFFAOYSA-N 1 0 379.485 3.755 20 30 GHEDRO C=C(Br)C[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000818979568 896300235 /nfs/dbraw/zinc/30/02/35/896300235.db2.gz QFBGVSSASNIZMJ-PMACEKPBSA-N 1 0 390.321 3.960 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)COc2cc(C)ccc2Cl)c1 ZINC000819066328 896383909 /nfs/dbraw/zinc/38/39/09/896383909.db2.gz AAIIQZZKNVZYDG-ZWKOTPCHSA-N 1 0 388.895 3.859 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000819069591 896386335 /nfs/dbraw/zinc/38/63/35/896386335.db2.gz XOZWQZGWIMXGHE-BEFAXECRSA-N 1 0 389.293 3.953 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000881627054 896399813 /nfs/dbraw/zinc/39/98/13/896399813.db2.gz URMBYSHRCFGVDF-NRFANRHFSA-N 1 0 391.556 3.505 20 30 GHEDRO Cc1ccc(NC(=O)C2(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)CCCC2)cc1C ZINC000819132940 896432392 /nfs/dbraw/zinc/43/23/92/896432392.db2.gz JDOCMCDPWKRYSK-QFIPXVFZSA-N 1 0 391.515 3.997 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000819189405 896460294 /nfs/dbraw/zinc/46/02/94/896460294.db2.gz RIGCPFFRAMCYGJ-MRXNPFEDSA-N 1 0 399.800 3.718 20 30 GHEDRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819209379 896501136 /nfs/dbraw/zinc/50/11/36/896501136.db2.gz WXYNKKPYSFAVTL-BKTGTZMESA-N 1 0 389.293 3.720 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000129209212 896503417 /nfs/dbraw/zinc/50/34/17/896503417.db2.gz PFIQELVKYHQGHU-UXHICEINSA-N 1 0 397.592 3.564 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566735194 896532540 /nfs/dbraw/zinc/53/25/40/896532540.db2.gz BPGSTGFOHSMKBX-ZHALLVOQSA-N 1 0 387.549 3.768 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000819310062 896545566 /nfs/dbraw/zinc/54/55/66/896545566.db2.gz YKVUCGMXGXDUIW-FZMZJTMJSA-N 1 0 388.002 3.637 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819270738 896557643 /nfs/dbraw/zinc/55/76/43/896557643.db2.gz HPVZUVMWXYPHTF-ROUUACIJSA-N 1 0 375.241 3.770 20 30 GHEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1C ZINC000567103454 896876994 /nfs/dbraw/zinc/87/69/94/896876994.db2.gz CNWWIGLUHBYSDR-HXUWFJFHSA-N 1 0 377.488 3.689 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3CCc4ccc(C#N)cc43)CC2)cc1 ZINC000567215503 896976425 /nfs/dbraw/zinc/97/64/25/896976425.db2.gz DHDGLJMJWVXZEG-XMMPIXPASA-N 1 0 388.515 3.758 20 30 GHEDRO N#Cc1cc(F)c(NCC2([NH+]3CCCCC3)CCOCC2)cc1Br ZINC000567405918 897127051 /nfs/dbraw/zinc/12/70/51/897127051.db2.gz AEQOVQNJFGOIKK-UHFFFAOYSA-N 1 0 396.304 3.907 20 30 GHEDRO Cc1nc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)sc1Br ZINC000882946024 897136077 /nfs/dbraw/zinc/13/60/77/897136077.db2.gz RXQZGLDXMUENFH-UHFFFAOYSA-N 1 0 396.310 3.601 20 30 GHEDRO C#C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC001275473862 914148624 /nfs/dbraw/zinc/14/86/24/914148624.db2.gz HYJGQJOLSWCCQL-AZUAARDMSA-N 1 0 397.316 3.762 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H]1CCOC1 ZINC000883234698 897393241 /nfs/dbraw/zinc/39/32/41/897393241.db2.gz KPLPKNXUKPFGHK-KZNAEPCWSA-N 1 0 384.586 3.547 20 30 GHEDRO C#C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000820612532 897411457 /nfs/dbraw/zinc/41/14/57/897411457.db2.gz XICRZDYDTKXEOG-INIZCTEOSA-N 1 0 380.330 3.543 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000567845189 897442250 /nfs/dbraw/zinc/44/22/50/897442250.db2.gz NQGKQHBPXRJEHC-AZUAARDMSA-N 1 0 398.478 3.522 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1F ZINC000820731665 897499955 /nfs/dbraw/zinc/49/99/55/897499955.db2.gz UXNWRVBYXLAKNI-LJQANCHMSA-N 1 0 377.891 3.813 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1F ZINC000820738080 897525925 /nfs/dbraw/zinc/52/59/25/897525925.db2.gz RZZYIJVMINIFRM-LPHOPBHVSA-N 1 0 377.891 3.813 20 30 GHEDRO C[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000883709319 897843418 /nfs/dbraw/zinc/84/34/18/897843418.db2.gz DPIPWOFMAVNGCO-GHTZIAJQSA-N 1 0 377.492 3.737 20 30 GHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000282832594 897901376 /nfs/dbraw/zinc/90/13/76/897901376.db2.gz JWZFXGHJAHVWJE-OAQYLSRUSA-N 1 0 395.551 3.636 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)CC1 ZINC000106322277 898264763 /nfs/dbraw/zinc/26/47/63/898264763.db2.gz HSFYBUALWSLJHR-GOSISDBHSA-N 1 0 398.551 3.863 20 30 GHEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C[C@H]21 ZINC000600000255 898472433 /nfs/dbraw/zinc/47/24/33/898472433.db2.gz UVRWMBUKFGWPOZ-RUYXUALKSA-N 1 0 381.863 3.636 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)[nH]c3C)cc2Cl)CC1 ZINC000822735312 898597794 /nfs/dbraw/zinc/59/77/94/898597794.db2.gz JYYBRKKMDXFLMP-UHFFFAOYSA-N 1 0 385.899 3.633 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000155317626 898609693 /nfs/dbraw/zinc/60/96/93/898609693.db2.gz SZAXUEPJJUHYOX-SIKLNZKXSA-N 1 0 376.504 3.522 20 30 GHEDRO CC[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)Oc1ccccc1C(F)(F)F ZINC000569456535 898682282 /nfs/dbraw/zinc/68/22/82/898682282.db2.gz JJTPIEXXWIABCR-HNNXBMFYSA-N 1 0 389.381 3.567 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC3c4ccccc4C1c1ccccc13)C2 ZINC000884057727 898708562 /nfs/dbraw/zinc/70/85/62/898708562.db2.gz PAKJYNMFVBXVFT-VZZLUBRPSA-N 1 0 397.522 3.539 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1)C2 ZINC000884094286 898854330 /nfs/dbraw/zinc/85/43/30/898854330.db2.gz GYNPQVPNSFNKMH-SUVXRHJQSA-N 1 0 385.920 3.746 20 30 GHEDRO Cc1csc(Sc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c(C)c2)n1 ZINC000884117690 898944993 /nfs/dbraw/zinc/94/49/93/898944993.db2.gz JSDHOIRTZUDOPK-CHWWFWEZSA-N 1 0 398.557 3.989 20 30 GHEDRO CC(C)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884120421 898953291 /nfs/dbraw/zinc/95/32/91/898953291.db2.gz LJLCXCPJYHISJJ-YQSWOPOKSA-N 1 0 379.426 3.658 20 30 GHEDRO Cc1ccccc1COc1cccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1 ZINC000884137957 899041626 /nfs/dbraw/zinc/04/16/26/899041626.db2.gz ZOTPXVTYGFTELJ-FVRICEFQSA-N 1 0 375.472 3.652 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000570017262 899073579 /nfs/dbraw/zinc/07/35/79/899073579.db2.gz SNGAZWKVZLANCV-UHFFFAOYSA-N 1 0 397.523 3.561 20 30 GHEDRO C[C@@H](Oc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1 ZINC000884144801 899073978 /nfs/dbraw/zinc/07/39/78/899073978.db2.gz UFQHOJJUOSNNIP-YJIIZRPXSA-N 1 0 375.472 3.904 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000570380975 899291637 /nfs/dbraw/zinc/29/16/37/899291637.db2.gz XENJWQLHAKFCBD-SJORKVTESA-N 1 0 378.501 3.783 20 30 GHEDRO CC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000570439434 899320331 /nfs/dbraw/zinc/32/03/31/899320331.db2.gz MPCSOQLDEYILCZ-QHCPKHFHSA-N 1 0 391.515 3.839 20 30 GHEDRO CC(C)(C)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000331989972 899322277 /nfs/dbraw/zinc/32/22/77/899322277.db2.gz UQAVWASKMNQMEY-KRWDZBQOSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4cccc(Cl)c4F)CCCC3)cnc12 ZINC000570570539 899398939 /nfs/dbraw/zinc/39/89/39/899398939.db2.gz UJMJRLPKNOUUOY-UHFFFAOYSA-N 1 0 383.858 3.995 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000570632998 899456462 /nfs/dbraw/zinc/45/64/62/899456462.db2.gz SJGSOWHAXJMRMH-IBGZPJMESA-N 1 0 377.492 3.801 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccccc2)cc1 ZINC000134135933 899652173 /nfs/dbraw/zinc/65/21/73/899652173.db2.gz SOTOHYLCKIMWCW-LJQANCHMSA-O 1 0 383.537 3.634 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332506933 899719962 /nfs/dbraw/zinc/71/99/62/899719962.db2.gz SYYFROLYNWDGMA-KZNAEPCWSA-N 1 0 386.565 3.578 20 30 GHEDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000332509336 899721464 /nfs/dbraw/zinc/72/14/64/899721464.db2.gz CTXIYZMXRXSWNM-NQIIRXRSSA-N 1 0 397.544 3.540 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000120578287 899846203 /nfs/dbraw/zinc/84/62/03/899846203.db2.gz USWUWVVZSAIALL-VGSWGCGISA-N 1 0 377.488 3.549 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)cc1 ZINC000824925810 899891308 /nfs/dbraw/zinc/89/13/08/899891308.db2.gz FAEIRFYMDXRYHG-UHFFFAOYSA-N 1 0 389.499 3.859 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1C#N ZINC000824955854 899906270 /nfs/dbraw/zinc/90/62/70/899906270.db2.gz ZSUCHFQVQVENLT-QGZVFWFLSA-N 1 0 394.425 3.813 20 30 GHEDRO CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884429364 900074023 /nfs/dbraw/zinc/07/40/23/900074023.db2.gz GUPCMUJHOANJST-LFDOHDQPSA-N 1 0 377.891 3.603 20 30 GHEDRO C=CC[C@@]1(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000843842821 900241657 /nfs/dbraw/zinc/24/16/57/900241657.db2.gz VEJVPMBRMUDLJF-VGSWGCGISA-N 1 0 393.572 3.521 20 30 GHEDRO N#CC(C#N)c1nc2ccccc2nc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171097500 900414542 /nfs/dbraw/zinc/41/45/42/900414542.db2.gz VRVMQJGORWZLDE-OAHLLOKOSA-N 1 0 378.439 3.520 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc3cc(C)c(C)cc3c2C)c1C#N ZINC000573289037 900444011 /nfs/dbraw/zinc/44/40/11/900444011.db2.gz ZQRRQBYDJZLSOI-UHFFFAOYSA-N 1 0 381.505 3.826 20 30 GHEDRO C#Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(Cl)c1 ZINC000885670097 900583843 /nfs/dbraw/zinc/58/38/43/900583843.db2.gz SFYBMHSYTGPLSI-ZWKOTPCHSA-N 1 0 384.911 3.507 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1nccc(C#N)c1Cl ZINC000573825085 900646950 /nfs/dbraw/zinc/64/69/50/900646950.db2.gz GVEYMVLDKACCNZ-UHFFFAOYSA-N 1 0 393.716 3.937 20 30 GHEDRO CCOc1ccc(-c2nc(CON=C(N)c3ccc(C[NH+](C)C)cc3)co2)cc1 ZINC000772899813 900653670 /nfs/dbraw/zinc/65/36/70/900653670.db2.gz ZQSXATFEMUIOJN-UHFFFAOYSA-N 1 0 394.475 3.639 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000574070525 900762522 /nfs/dbraw/zinc/76/25/22/900762522.db2.gz MNIGUNDTTBCWLW-GOSISDBHSA-N 1 0 381.442 3.898 20 30 GHEDRO C=CCn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000574488067 900902465 /nfs/dbraw/zinc/90/24/65/900902465.db2.gz KPLRNXLVJHUQCA-TYPHKJRUSA-N 1 0 395.551 3.630 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000574587338 900933173 /nfs/dbraw/zinc/93/31/73/900933173.db2.gz OQDDSGGZEWYONT-IBGZPJMESA-N 1 0 378.524 3.561 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000066177751 900991261 /nfs/dbraw/zinc/99/12/61/900991261.db2.gz LZMSERTYZMDPPX-UHFFFAOYSA-N 1 0 391.519 3.538 20 30 GHEDRO N#Cc1cncc(C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)c1 ZINC001144080075 901049135 /nfs/dbraw/zinc/04/91/35/901049135.db2.gz UUZDVCXBMUOGGH-UHFFFAOYSA-N 1 0 386.499 3.634 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000574931260 901057889 /nfs/dbraw/zinc/05/78/89/901057889.db2.gz IIXMMKMZCNZUNZ-ISKFKSNPSA-N 1 0 390.531 3.585 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cn2)CC1 ZINC001144153963 901160077 /nfs/dbraw/zinc/16/00/77/901160077.db2.gz SIIFSPUEEOVLIO-HXUWFJFHSA-N 1 0 384.524 3.955 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)nc1 ZINC001144160545 901173936 /nfs/dbraw/zinc/17/39/36/901173936.db2.gz KONVWXGWCNOBAN-JOCHJYFZSA-N 1 0 386.499 3.529 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c1 ZINC000886686297 901226390 /nfs/dbraw/zinc/22/63/90/901226390.db2.gz NFFMXHHZYJMDPP-CQSZACIVSA-N 1 0 399.516 3.804 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(F)cc2nc(C)c(C)nc21)C(C)C ZINC001144197050 901237966 /nfs/dbraw/zinc/23/79/66/901237966.db2.gz CQIAGNIAUYKCLU-HXUWFJFHSA-N 1 0 384.499 3.814 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000092854040 901517842 /nfs/dbraw/zinc/51/78/42/901517842.db2.gz RINFWSWJKSTWHT-UHFFFAOYSA-N 1 0 389.503 3.783 20 30 GHEDRO N#CCCn1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000093563689 901553960 /nfs/dbraw/zinc/55/39/60/901553960.db2.gz VWGLHUQYAJMPAG-JOCHJYFZSA-N 1 0 377.536 3.914 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2C[C@H]([NH+](C)C)Cc3ccccc32)c1=S ZINC000158526307 901675284 /nfs/dbraw/zinc/67/52/84/901675284.db2.gz ORVWKRSWEKDIPD-QGZVFWFLSA-N 1 0 395.532 3.810 20 30 GHEDRO C=CC[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000576178415 901762759 /nfs/dbraw/zinc/76/27/59/901762759.db2.gz QPSXVPLHSRKDNV-CQSZACIVSA-N 1 0 388.397 3.825 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001144389791 901951554 /nfs/dbraw/zinc/95/15/54/901951554.db2.gz BSPOASMSDMXGOW-UHFFFAOYSA-N 1 0 375.516 3.695 20 30 GHEDRO [NH2+]=C(Nc1cnc2cc(Br)ccn12)c1ccc2cc(O)ccc2c1 ZINC001171182396 902173773 /nfs/dbraw/zinc/17/37/73/902173773.db2.gz MJMTUNNFAWNDQV-UHFFFAOYSA-N 1 0 381.233 3.993 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001171186686 902195912 /nfs/dbraw/zinc/19/59/12/902195912.db2.gz YLBBPBHXLHXZGX-WMLDXEAASA-N 1 0 379.451 3.724 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001171186726 902196199 /nfs/dbraw/zinc/19/61/99/902196199.db2.gz YWMCHHDOMSXHOY-ATZDWAIDSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001171186683 902196347 /nfs/dbraw/zinc/19/63/47/902196347.db2.gz YLBBPBHXLHXZGX-PBHICJAKSA-N 1 0 379.451 3.724 20 30 GHEDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](C)C1 ZINC000576785813 902262476 /nfs/dbraw/zinc/26/24/76/902262476.db2.gz KPCHNQRUYQKJKN-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@H](C(F)(F)F)C1 ZINC000576846757 902301118 /nfs/dbraw/zinc/30/11/18/902301118.db2.gz OQIITMFGCZVOKE-KZNAEPCWSA-N 1 0 393.453 3.961 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1C ZINC000576868360 902317832 /nfs/dbraw/zinc/31/78/32/902317832.db2.gz UUSKZAOSVNFIHE-QHCPKHFHSA-N 1 0 395.547 3.831 20 30 GHEDRO C#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001144569701 902401074 /nfs/dbraw/zinc/40/10/74/902401074.db2.gz XLLSNNOQVRWHTH-DQEYMECFSA-N 1 0 378.560 3.628 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccc(OC)cc4)C3=O)C2)cc1 ZINC001144569489 902401248 /nfs/dbraw/zinc/40/12/48/902401248.db2.gz SCFOBWKQRIWJQT-VWLOTQADSA-N 1 0 388.511 3.691 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)cc1 ZINC001144571997 902403997 /nfs/dbraw/zinc/40/39/97/902403997.db2.gz MRRPAAIVGUSLIL-NRFANRHFSA-N 1 0 385.433 3.940 20 30 GHEDRO Cn1cncc1[C@@H]1[C@@H](COC(=O)c2ccc(C#N)c(Cl)c2)CCC[N@@H+]1C1CC1 ZINC000845813477 902418777 /nfs/dbraw/zinc/41/87/77/902418777.db2.gz VBWAQHYEKJXRAG-UZLBHIALSA-N 1 0 398.894 3.718 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000127646689 902527127 /nfs/dbraw/zinc/52/71/27/902527127.db2.gz XCXCWFRMHLWCMR-OAQYLSRUSA-N 1 0 382.483 3.650 20 30 GHEDRO C[C@@H]1C[C@H](C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000846007021 902588801 /nfs/dbraw/zinc/58/88/01/902588801.db2.gz MJTIPUQDKGCBLL-YVWKXTFCSA-N 1 0 387.524 3.559 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)CC1 ZINC001171204541 902590303 /nfs/dbraw/zinc/59/03/03/902590303.db2.gz YWCQQPPENRLXBP-IBGZPJMESA-N 1 0 381.520 3.990 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000128176595 902619534 /nfs/dbraw/zinc/61/95/34/902619534.db2.gz OSLDNGSYCDWZRH-LJQANCHMSA-N 1 0 389.499 3.695 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001171211167 902645514 /nfs/dbraw/zinc/64/55/14/902645514.db2.gz BQRKVPVGHCNGSY-RDPSFJRHSA-N 1 0 375.516 3.861 20 30 GHEDRO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)Cc2cn(CC3CC3)nc21 ZINC001171211353 902648087 /nfs/dbraw/zinc/64/80/87/902648087.db2.gz CQFQAUPJURSXTG-HTAPYJJXSA-N 1 0 378.520 3.732 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001171209995 902669457 /nfs/dbraw/zinc/66/94/57/902669457.db2.gz OVLHCTUHWFGZKM-GOSISDBHSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001171210339 902677066 /nfs/dbraw/zinc/67/70/66/902677066.db2.gz SNRTWUMQPIGAEE-PGRDOPGGSA-N 1 0 377.488 3.587 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000846107245 902684220 /nfs/dbraw/zinc/68/42/20/902684220.db2.gz OFTQMRHSUKAHFH-UHFFFAOYSA-N 1 0 384.867 3.874 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000846113676 902692594 /nfs/dbraw/zinc/69/25/94/902692594.db2.gz NNWQIRNGCFTZBO-AYOQOUSVSA-N 1 0 389.496 3.578 20 30 GHEDRO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)/C=C/C(=O)c2ccccc2)CC1 ZINC001144714327 902695020 /nfs/dbraw/zinc/69/50/20/902695020.db2.gz DOVVBAQPSMCFGM-OLFIFTGPSA-N 1 0 380.463 3.863 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001171212200 902695397 /nfs/dbraw/zinc/69/53/97/902695397.db2.gz JYKYSHONLWEUJZ-VEXUSMLFSA-N 1 0 391.515 3.725 20 30 GHEDRO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@H](C)Cc2cccc(C#N)c2)n1 ZINC001171212683 902701681 /nfs/dbraw/zinc/70/16/81/902701681.db2.gz PNLAYGPZLOVLSA-VCFYHUQZSA-N 1 0 391.515 3.641 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccccc2OCC(F)(F)F)cc1OC ZINC000264066385 902821303 /nfs/dbraw/zinc/82/13/03/902821303.db2.gz BKIFGDDNWHEPSC-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CCOCC1 ZINC000600720469 902842957 /nfs/dbraw/zinc/84/29/57/902842957.db2.gz ZCKVSZMNNWKXGZ-OAQYLSRUSA-N 1 0 398.478 3.566 20 30 GHEDRO C=CCOc1ccccc1C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600727682 902849989 /nfs/dbraw/zinc/84/99/89/902849989.db2.gz QBBCGMCYRBDHML-UHFFFAOYSA-N 1 0 375.509 3.604 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)CCOCC1 ZINC000600727214 902850176 /nfs/dbraw/zinc/85/01/76/902850176.db2.gz JVTXCTGPQSNHOX-FQEVSTJZSA-N 1 0 398.478 3.821 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](Cc3cc4oc5ccccc5c4cc3O)CC2)c1 ZINC000887560229 902879592 /nfs/dbraw/zinc/87/95/92/902879592.db2.gz FMXBKZDRJLNEFC-UHFFFAOYSA-N 1 0 384.439 3.880 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224984 902953825 /nfs/dbraw/zinc/95/38/25/902953825.db2.gz WJLPJODJPCHZNL-QGZVFWFLSA-N 1 0 375.472 3.913 20 30 GHEDRO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000600840406 902986851 /nfs/dbraw/zinc/98/68/51/902986851.db2.gz GEFOFKAIOPCRGX-FQEVSTJZSA-N 1 0 390.531 3.710 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001186590422 914676239 /nfs/dbraw/zinc/67/62/39/914676239.db2.gz KZJYXFSWLUNSDE-SFHVURJKSA-N 1 0 397.544 3.809 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000600861268 903018344 /nfs/dbraw/zinc/01/83/44/903018344.db2.gz LVAWFEWOAJKNJF-UHFFFAOYSA-N 1 0 393.531 3.963 20 30 GHEDRO COC(=O)c1cccc(C[NH2+]C2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171230491 903045917 /nfs/dbraw/zinc/04/59/17/903045917.db2.gz DXBITORLKQZLFD-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc(OC)c1OC ZINC000772946416 903123183 /nfs/dbraw/zinc/12/31/83/903123183.db2.gz MUZQTBBFVGTRKW-XMSQKQJNSA-N 1 0 395.547 3.828 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)CC1 ZINC000601005169 903218146 /nfs/dbraw/zinc/21/81/46/903218146.db2.gz MBKIWQZAILATLO-HSZRJFAPSA-N 1 0 375.516 3.557 20 30 GHEDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000264605831 903237439 /nfs/dbraw/zinc/23/74/39/903237439.db2.gz GZANRVYDYQFDKZ-QGZVFWFLSA-N 1 0 388.581 3.826 20 30 GHEDRO C=CCC[C@@H](CO)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000577867610 903287804 /nfs/dbraw/zinc/28/78/04/903287804.db2.gz NZUYYWFARSWRGS-SFHVURJKSA-N 1 0 377.554 3.713 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(C)(C)C(=O)OCC)CC2)cc(OC)c1O ZINC000578263936 903666111 /nfs/dbraw/zinc/66/61/11/903666111.db2.gz ARQINPJTWLFVHH-UHFFFAOYSA-N 1 0 375.509 3.931 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-n2c(CC[NH3+])cc3ccccc32)n1 ZINC001171303130 903778306 /nfs/dbraw/zinc/77/83/06/903778306.db2.gz ZVZZPMILXHZWKW-BEOTVBTESA-N 1 0 382.533 3.716 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136523139 903789096 /nfs/dbraw/zinc/78/90/96/903789096.db2.gz UFJBAGBCRMYUDF-IBGZPJMESA-O 1 0 397.564 3.773 20 30 GHEDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000251777023 914756385 /nfs/dbraw/zinc/75/63/85/914756385.db2.gz LEZVQVHWISUITO-RHSMWYFYSA-N 1 0 375.538 3.574 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000772986450 903971678 /nfs/dbraw/zinc/97/16/78/903971678.db2.gz WBEZUJHFYOIWHV-YSGBTYPNSA-N 1 0 385.464 3.731 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171332804 904100776 /nfs/dbraw/zinc/10/07/76/904100776.db2.gz ISIGYNJEWKACQG-CABCVRRESA-N 1 0 378.900 3.583 20 30 GHEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC001186729448 914784962 /nfs/dbraw/zinc/78/49/62/914784962.db2.gz CJMWOYDJTSQKCJ-DYESRHJHSA-N 1 0 398.438 3.555 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)CC1 ZINC001171366260 904354480 /nfs/dbraw/zinc/35/44/80/904354480.db2.gz LQQXRRADCWWPOW-QGZVFWFLSA-N 1 0 376.447 3.543 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171371571 904374876 /nfs/dbraw/zinc/37/48/76/904374876.db2.gz PBGDBLQZTDPSQE-VLCRHTCISA-N 1 0 377.475 3.896 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153568239 904377873 /nfs/dbraw/zinc/37/78/73/904377873.db2.gz XLCRFKIKVSGYRS-DENIHFKCSA-N 1 0 381.520 3.583 20 30 GHEDRO C[C@@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)no1 ZINC000153611885 904382131 /nfs/dbraw/zinc/38/21/31/904382131.db2.gz LIYMLKGKAFNTSD-QFNCUCFLSA-N 1 0 378.432 3.685 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1OC(F)F ZINC000104191834 904551683 /nfs/dbraw/zinc/55/16/83/904551683.db2.gz ISUZFWALIMTIAO-UHFFFAOYSA-N 1 0 375.419 3.755 20 30 GHEDRO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1C#N ZINC000579556602 904699976 /nfs/dbraw/zinc/69/99/76/904699976.db2.gz UIHFPMCTQIVGJQ-GOSISDBHSA-N 1 0 392.503 3.981 20 30 GHEDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000290849574 914842564 /nfs/dbraw/zinc/84/25/64/914842564.db2.gz IYOZMRBHDNTYAV-UHFFFAOYSA-N 1 0 399.498 3.915 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000188054542 904865466 /nfs/dbraw/zinc/86/54/66/904865466.db2.gz PBEUKOOCBBXOSG-OXJNMPFZSA-N 1 0 383.517 3.965 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000826676636 904893720 /nfs/dbraw/zinc/89/37/20/904893720.db2.gz DTDGQVAUZUSSBH-DKICVRJWSA-N 1 0 394.585 3.912 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001171841351 905091493 /nfs/dbraw/zinc/09/14/93/905091493.db2.gz NOJAOQDNSVFYIT-ACRUOGEOSA-N 1 0 388.552 3.771 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)[C@H]2CC ZINC001171952729 905159385 /nfs/dbraw/zinc/15/93/85/905159385.db2.gz VYPJWXIVAXOFTR-OEGBSJBASA-N 1 0 390.568 3.920 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171927128 905181850 /nfs/dbraw/zinc/18/18/50/905181850.db2.gz GBYPWTUKYHKSAS-RRDHRZETSA-N 1 0 393.568 3.961 20 30 GHEDRO Cc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1C#N ZINC001171949491 905199061 /nfs/dbraw/zinc/19/90/61/905199061.db2.gz TVGSPZXEWAPUHI-HXUWFJFHSA-N 1 0 385.305 3.639 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CCC(C)(C(=O)OCC)CC3)C2)C1 ZINC001171948749 905199086 /nfs/dbraw/zinc/19/90/86/905199086.db2.gz SRRCBLJXACXOAF-FQUBMZHMSA-N 1 0 392.540 3.609 20 30 GHEDRO COC(=O)C1(c2ccc(Br)cc2)CCC([N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001172145236 905357023 /nfs/dbraw/zinc/35/70/23/905357023.db2.gz XBKAKKRUZNBVLD-ZCGYKAAXSA-N 1 0 391.309 3.648 20 30 GHEDRO CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174955366 905400378 /nfs/dbraw/zinc/40/03/78/905400378.db2.gz VTGXNVVZANEWNY-OAQYLSRUSA-N 1 0 387.487 3.705 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001172304187 905457251 /nfs/dbraw/zinc/45/72/51/905457251.db2.gz IYWLYQRBMRCGDL-AUSIDOKSSA-N 1 0 375.516 3.703 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC001172306208 905460832 /nfs/dbraw/zinc/46/08/32/905460832.db2.gz CBOOEBGXHWCQJR-AUSIDOKSSA-N 1 0 387.527 3.970 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001172307084 905463426 /nfs/dbraw/zinc/46/34/26/905463426.db2.gz ZXMAYEPIASIRLR-KHMOSXFSSA-N 1 0 399.538 3.993 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@@H+]([C@@H](C)Cc4ccc(C#N)cc4)C3)C2=O)c1 ZINC001172307107 905463728 /nfs/dbraw/zinc/46/37/28/905463728.db2.gz DVLJDOWMVYLBNK-CPJSRVTESA-N 1 0 387.527 3.922 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001172310300 905466904 /nfs/dbraw/zinc/46/69/04/905466904.db2.gz YAJPXWAAYKHOFB-DVECYGJZSA-N 1 0 388.515 3.541 20 30 GHEDRO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)C[C@H]1C ZINC001172372961 905486103 /nfs/dbraw/zinc/48/61/03/905486103.db2.gz KLCQOOWWBBORGV-AMEVOLBXSA-N 1 0 382.552 3.697 20 30 GHEDRO CC(C)COCC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001172468850 905551012 /nfs/dbraw/zinc/55/10/12/905551012.db2.gz ODWXKJVWMDBRQL-URXFXBBRSA-N 1 0 399.579 3.928 20 30 GHEDRO CC(C)CCN1[C@@]2(CC[N@@H+]([C@H](C)CCCC#N)C2)c2ccccc2S1(=O)=O ZINC001172495026 905598653 /nfs/dbraw/zinc/59/86/53/905598653.db2.gz LTXJGHDOCYPNHZ-WIYYLYMNSA-N 1 0 389.565 3.720 20 30 GHEDRO CCCCCCC[C@H](CCC)[NH2+]C[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001172501540 905600022 /nfs/dbraw/zinc/60/00/22/905600022.db2.gz IMUPOQBLADOHMV-VQTJNVASSA-N 1 0 392.588 3.704 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc1O2 ZINC001172497869 905600268 /nfs/dbraw/zinc/60/02/68/905600268.db2.gz GOZLUPHNHVXWEQ-RTBURBONSA-N 1 0 383.536 3.948 20 30 GHEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001172512078 905605737 /nfs/dbraw/zinc/60/57/37/905605737.db2.gz YLZMISHUSQJEOJ-TUNNFDKTSA-N 1 0 382.589 3.902 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C2)C1=O ZINC001172634317 905696139 /nfs/dbraw/zinc/69/61/39/905696139.db2.gz GNQNOUQPZYPKMO-OTWHNJEPSA-N 1 0 393.572 3.711 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)c(C(F)(F)F)c1 ZINC001172678831 905758765 /nfs/dbraw/zinc/75/87/65/905758765.db2.gz INVHJPWWBYZYPV-SFHVURJKSA-N 1 0 387.405 3.858 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H](C)CCC(=O)OC(C)C)C2)CC1 ZINC001172748992 905786661 /nfs/dbraw/zinc/78/66/61/905786661.db2.gz HLWVJVKTUUXABS-GOSISDBHSA-N 1 0 380.529 3.607 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2 ZINC001172748871 905786681 /nfs/dbraw/zinc/78/66/81/905786681.db2.gz HDKYCGBETHJJOG-SFHVURJKSA-N 1 0 380.529 3.607 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCC[C@H](C(=O)OC)CC1)[C@H]2CC ZINC001172795070 905835610 /nfs/dbraw/zinc/83/56/10/905835610.db2.gz IQGAIPUPGQKJQZ-WEMPKCCASA-N 1 0 376.541 3.530 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000176560782 905874096 /nfs/dbraw/zinc/87/40/96/905874096.db2.gz ZNLMQQLAEYVPKR-UHFFFAOYSA-N 1 0 378.476 3.617 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172906002 905931710 /nfs/dbraw/zinc/93/17/10/905931710.db2.gz FMHCGXWUZRJVGC-OFNKIYASSA-N 1 0 397.519 3.875 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172910799 906018683 /nfs/dbraw/zinc/01/86/83/906018683.db2.gz OGAVGZYKNPCSFP-HJNYFJLDSA-N 1 0 386.492 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C[C@H]1C#N ZINC001172971159 906033818 /nfs/dbraw/zinc/03/38/18/906033818.db2.gz MPJDPEIVOKRBRE-GJZGRUSLSA-N 1 0 399.413 3.966 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](NC(=[NH2+])c2ccc(C(F)(F)F)cc2)C[C@H]1C#N ZINC001172971589 906035538 /nfs/dbraw/zinc/03/55/38/906035538.db2.gz QUVVHTJJQNJHIB-CABCVRRESA-N 1 0 396.413 3.702 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C[C@H]1C#N ZINC001172972530 906037160 /nfs/dbraw/zinc/03/71/60/906037160.db2.gz ACJBDQZRRQDYCA-DZKIICNBSA-N 1 0 377.872 3.655 20 30 GHEDRO C=CCn1c(C)cc(C(=O)CN(C)C2CC[NH+](CCc3ccccn3)CC2)c1C ZINC000177260862 906078393 /nfs/dbraw/zinc/07/83/93/906078393.db2.gz JUMWTHDIPMEHDR-UHFFFAOYSA-N 1 0 394.563 3.508 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ccccc2)CC(C)(C)O)C[C@H]1C#N ZINC001172991102 906101828 /nfs/dbraw/zinc/10/18/28/906101828.db2.gz TZWNBCLHDOWLNX-OALUTQOASA-N 1 0 387.524 3.551 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000177443342 906135008 /nfs/dbraw/zinc/13/50/08/906135008.db2.gz ZHKLGOLQWYSYTA-UHFFFAOYSA-N 1 0 393.487 3.867 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(C)ccc1OC ZINC000190603526 906169372 /nfs/dbraw/zinc/16/93/72/906169372.db2.gz KXTOLZBBDXLSMR-RTWAWAEBSA-N 1 0 377.488 3.717 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CCc4ncsc4C3)C[C@@H]2c2ccccc2)C1=O ZINC001173131017 906213317 /nfs/dbraw/zinc/21/33/17/906213317.db2.gz FDXWAYMSKWEYIZ-YYDVJCTNSA-N 1 0 393.556 3.505 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCSCc1ccccc1C#N ZINC000177820986 906222820 /nfs/dbraw/zinc/22/28/20/906222820.db2.gz FBNPVLJGHVALNH-AWEZNQCLSA-N 1 0 388.924 3.847 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)c1F ZINC001173182180 906263170 /nfs/dbraw/zinc/26/31/70/906263170.db2.gz ISJCJPXIAGYRBD-ZDUSSCGKSA-N 1 0 396.422 3.874 20 30 GHEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001173221868 906298925 /nfs/dbraw/zinc/29/89/25/906298925.db2.gz QNVLVQQTBNRFSN-KRWDZBQOSA-N 1 0 378.476 3.652 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001173229478 906314025 /nfs/dbraw/zinc/31/40/25/906314025.db2.gz VBNDBPLQXGOTRF-UWJYYQICSA-N 1 0 387.480 3.636 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3cc(C(F)(F)F)c(C#N)cc3N)c2)CC1 ZINC001212716582 906339359 /nfs/dbraw/zinc/33/93/59/906339359.db2.gz AIRVKPBNBYGWEH-UHFFFAOYSA-N 1 0 375.398 3.655 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@@H]2CC[C@@H]3[C@H]2OCCN3C(=O)OC(C)(C)C)CC1 ZINC001173311482 906363907 /nfs/dbraw/zinc/36/39/07/906363907.db2.gz JZCBFQDTXPSXQV-KUZRIEKOSA-N 1 0 394.556 3.504 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)CC1 ZINC001173320719 906370027 /nfs/dbraw/zinc/37/00/27/906370027.db2.gz RTHYOHWDFWVZGF-ZQHBMWIYSA-N 1 0 382.548 3.765 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)CC1 ZINC001173320672 906370939 /nfs/dbraw/zinc/37/09/39/906370939.db2.gz CEOPNYLOGCVOED-LZBANZJXSA-N 1 0 386.536 3.736 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C1)COCC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173330820 906375825 /nfs/dbraw/zinc/37/58/25/906375825.db2.gz FIDNKVFQQLKVRX-AJTFCVKESA-N 1 0 391.556 3.808 20 30 GHEDRO N#CCC1CCC([NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)CC1 ZINC001173338794 906380081 /nfs/dbraw/zinc/38/00/81/906380081.db2.gz JAGILWIBBKZTOE-UHFFFAOYSA-N 1 0 394.563 3.520 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1OC ZINC001173422378 906456899 /nfs/dbraw/zinc/45/68/99/906456899.db2.gz NYNKRYXBNKCTOY-INIZCTEOSA-N 1 0 393.487 3.531 20 30 GHEDRO Cc1ccc2c(CC[NH3+])cn(C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c2c1 ZINC001173423067 906458176 /nfs/dbraw/zinc/45/81/76/906458176.db2.gz DDWNYTYZBFETIP-UHFFFAOYSA-N 1 0 386.499 3.800 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]C3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC001173423808 906460308 /nfs/dbraw/zinc/46/03/08/906460308.db2.gz MYBLBLLZGDISNS-UHFFFAOYSA-N 1 0 379.426 3.874 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCOc4cc(F)cc(F)c43)CC2)cc1 ZINC001173425373 906461891 /nfs/dbraw/zinc/46/18/91/906461891.db2.gz SKNVJHSEHOWKIC-LJQANCHMSA-N 1 0 397.425 3.554 20 30 GHEDRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccc(C#N)cc3)CC1)CCC2 ZINC001173427860 906463311 /nfs/dbraw/zinc/46/33/11/906463311.db2.gz DABCDQVTVDRDGF-HSZRJFAPSA-N 1 0 389.499 3.839 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C1)COCC[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173592744 906546623 /nfs/dbraw/zinc/54/66/23/906546623.db2.gz ANRDJWWCSLLXAB-UDJZJCJKSA-N 1 0 391.556 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](C3CCC(C)(C#N)CC3)CC2)C1 ZINC001173592834 906547287 /nfs/dbraw/zinc/54/72/87/906547287.db2.gz BNSABWYWFFXNDZ-UHFFFAOYSA-N 1 0 377.529 3.561 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CC1 ZINC001173595517 906548428 /nfs/dbraw/zinc/54/84/28/906548428.db2.gz QCFQJBOAJLNAAL-RTIYUPOBSA-N 1 0 395.547 3.902 20 30 GHEDRO C[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001173596072 906551343 /nfs/dbraw/zinc/55/13/43/906551343.db2.gz ITECAAHJKAMLGI-TVXHVNIISA-N 1 0 396.535 3.752 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)CC2 ZINC001173624354 906574248 /nfs/dbraw/zinc/57/42/48/906574248.db2.gz WGOWZNZSXBCYDQ-QXMMQCAPSA-N 1 0 382.504 3.913 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)CC2 ZINC001173626263 906575323 /nfs/dbraw/zinc/57/53/23/906575323.db2.gz IFAAYKCHOZFUII-QXMMQCAPSA-N 1 0 382.504 3.913 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000180095639 906687232 /nfs/dbraw/zinc/68/72/32/906687232.db2.gz JMNUWLDXNDQNRU-MRXNPFEDSA-N 1 0 384.455 3.712 20 30 GHEDRO N#Cc1ccc(CC[NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC001173770091 906688659 /nfs/dbraw/zinc/68/86/59/906688659.db2.gz VMCVJYZHIIMMIL-UHFFFAOYSA-N 1 0 385.870 3.788 20 30 GHEDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000779395617 906705179 /nfs/dbraw/zinc/70/51/79/906705179.db2.gz USYSGVIQAXKKOI-SJORKVTESA-N 1 0 382.476 3.748 20 30 GHEDRO CCC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1Cl ZINC000180867701 906864141 /nfs/dbraw/zinc/86/41/41/906864141.db2.gz QGHGLXVAPNSPDQ-BQASMSSTSA-N 1 0 382.291 3.951 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000181387497 906987705 /nfs/dbraw/zinc/98/77/05/906987705.db2.gz PEIYNFPVUQOESF-UHFFFAOYSA-N 1 0 388.559 3.777 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(OCC#N)cc1 ZINC000181576319 907030182 /nfs/dbraw/zinc/03/01/82/907030182.db2.gz BGJQKBWIWGEJFW-QGZVFWFLSA-N 1 0 394.471 3.717 20 30 GHEDRO CC(C)[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001174575876 907093909 /nfs/dbraw/zinc/09/39/09/907093909.db2.gz ZWLBZQMNLULSET-HSZRJFAPSA-N 1 0 390.531 3.729 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000366052080 921295901 /nfs/dbraw/zinc/29/59/01/921295901.db2.gz YYPCECWMWYFIDA-KRWDZBQOSA-N 1 0 385.508 3.953 20 30 GHEDRO CC(C)CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCC1 ZINC000299354074 921300639 /nfs/dbraw/zinc/30/06/39/921300639.db2.gz CAOQHKKDCZJBIN-GOSISDBHSA-N 1 0 380.492 3.802 20 30 GHEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1N1CCOC1=O ZINC000182285895 907177355 /nfs/dbraw/zinc/17/73/55/907177355.db2.gz UCQYPQZTEXZVPB-UHFFFAOYSA-N 1 0 390.487 3.900 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001174735246 907181480 /nfs/dbraw/zinc/18/14/80/907181480.db2.gz KKQVCPBENYIXFV-UHFFFAOYSA-N 1 0 378.472 3.805 20 30 GHEDRO COCc1nc2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC000182449708 907208565 /nfs/dbraw/zinc/20/85/65/907208565.db2.gz GYYKSWLFXBWPGK-UHFFFAOYSA-N 1 0 376.460 3.922 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000182540761 907225373 /nfs/dbraw/zinc/22/53/73/907225373.db2.gz OOENKLQBRMAMPM-SFHVURJKSA-N 1 0 392.503 3.859 20 30 GHEDRO COc1cccc(C2([NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCC2)c1 ZINC001174828239 907225411 /nfs/dbraw/zinc/22/54/11/907225411.db2.gz WXSRCHGMLDNPDX-NRFANRHFSA-N 1 0 375.472 3.731 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c(C#N)c1C ZINC001175353409 907515313 /nfs/dbraw/zinc/51/53/13/907515313.db2.gz YIFYPJJZRDHKHX-PKOBYXMFSA-N 1 0 386.540 3.682 20 30 GHEDRO CCCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192244405 907565641 /nfs/dbraw/zinc/56/56/41/907565641.db2.gz NSJVLXBQJQVQNS-JOCHJYFZSA-N 1 0 377.488 3.628 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001175690579 907696520 /nfs/dbraw/zinc/69/65/20/907696520.db2.gz ZUFFMDMLCRUHQM-FDDCHVKYSA-N 1 0 379.479 3.563 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2c(Cl)cc(C#N)cc2Cl)cc1 ZINC001175809878 907766012 /nfs/dbraw/zinc/76/60/12/907766012.db2.gz KTICWGKVABKTSP-UHFFFAOYSA-N 1 0 377.275 3.900 20 30 GHEDRO N#C[C@@H]1CCC[C@@H](Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000185732826 907825688 /nfs/dbraw/zinc/82/56/88/907825688.db2.gz GAKMUPDBSYNLJP-FGZHOGPDSA-N 1 0 389.547 3.941 20 30 GHEDRO C[C@@]1(C2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)COC(=O)N1 ZINC001176209387 907984522 /nfs/dbraw/zinc/98/45/22/907984522.db2.gz CBRSWQIIUDTGJT-QHCPKHFHSA-N 1 0 375.472 3.936 20 30 GHEDRO COc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+](C)C)cc1OC ZINC000192975423 908038618 /nfs/dbraw/zinc/03/86/18/908038618.db2.gz ILZFZOKDBZFOSY-QNDYCBLQSA-N 1 0 379.460 3.679 20 30 GHEDRO COc1cc(Nc2cnn(CC[NH+](C)C)c2)c(C#N)cc1OCc1ccccc1 ZINC001176450810 908115286 /nfs/dbraw/zinc/11/52/86/908115286.db2.gz RIAJUXPAACQCRJ-UHFFFAOYSA-N 1 0 391.475 3.648 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001176849500 908293666 /nfs/dbraw/zinc/29/36/66/908293666.db2.gz OEKYZKVXXSNNDU-RKQJOMJXSA-N 1 0 385.556 3.653 20 30 GHEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001177003425 908358295 /nfs/dbraw/zinc/35/82/95/908358295.db2.gz YMVNAZYYYQWRPX-IAGOWNOFSA-N 1 0 380.529 3.511 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(OCC#N)cc1 ZINC000189814918 908377926 /nfs/dbraw/zinc/37/79/26/908377926.db2.gz BUFXBXLIOLVSQF-BTYIYWSLSA-N 1 0 399.441 3.709 20 30 GHEDRO COc1ccc(CCC(=O)N2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189833422 908379440 /nfs/dbraw/zinc/37/94/40/908379440.db2.gz MIZRUJRDOKKBMW-IBGZPJMESA-N 1 0 391.515 3.795 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2ccccc2c1O ZINC000190628455 908510480 /nfs/dbraw/zinc/51/04/80/908510480.db2.gz MBQFJCISZOUCKY-AOMKIAJQSA-N 1 0 385.467 3.869 20 30 GHEDRO Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1C#N ZINC001177354711 908550554 /nfs/dbraw/zinc/55/05/54/908550554.db2.gz XOGKLWCVQGBOJH-HXUWFJFHSA-N 1 0 383.442 3.640 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@H](C)[NH+]1CCC(C)CC1 ZINC001177548979 908639225 /nfs/dbraw/zinc/63/92/25/908639225.db2.gz ZKQKCRLUXNKTKO-INIZCTEOSA-N 1 0 379.342 3.671 20 30 GHEDRO N#CC(CC[N@@H+]1CCOC2(CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000191554653 908642160 /nfs/dbraw/zinc/64/21/60/908642160.db2.gz XVPRIUUVNCNLRB-UHFFFAOYSA-N 1 0 376.500 3.768 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001177912531 908799795 /nfs/dbraw/zinc/79/97/95/908799795.db2.gz QTFDSRVWJBKGKV-ACRUOGEOSA-N 1 0 393.556 3.801 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)C1 ZINC000194158552 908861835 /nfs/dbraw/zinc/86/18/35/908861835.db2.gz RGZFGMPQHIAOID-GOSISDBHSA-N 1 0 377.488 3.751 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2OCC#N)C1 ZINC000194165794 908862292 /nfs/dbraw/zinc/86/22/92/908862292.db2.gz WCFRRZIGDCWKSM-KDURUIRLSA-N 1 0 391.515 3.997 20 30 GHEDRO Cn1c2ccc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cc2sc1=O ZINC000194993117 908949498 /nfs/dbraw/zinc/94/94/98/908949498.db2.gz YJJQGCWIWNWGFR-UHFFFAOYSA-N 1 0 379.485 3.515 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000195614932 909026695 /nfs/dbraw/zinc/02/66/95/909026695.db2.gz CTRIJEDKXJYUAX-KRWDZBQOSA-N 1 0 388.581 3.601 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000083630596 909042094 /nfs/dbraw/zinc/04/20/94/909042094.db2.gz LRAWGHWWELOKTD-FQEVSTJZSA-N 1 0 375.509 3.679 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC001178608903 909142381 /nfs/dbraw/zinc/14/23/81/909142381.db2.gz ABYQWZIYJAGKRE-AWEZNQCLSA-N 1 0 395.247 3.540 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCc2cc(C#N)ccc21)CC(F)(F)F ZINC001178620756 909153327 /nfs/dbraw/zinc/15/33/27/909153327.db2.gz UTWSPMPVULYGAY-GDBMZVCRSA-N 1 0 383.414 3.981 20 30 GHEDRO Cc1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)ccc1C#N ZINC001179433046 909521610 /nfs/dbraw/zinc/52/16/10/909521610.db2.gz MHFFWYYZAHKKIJ-GOSISDBHSA-N 1 0 384.277 3.672 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1 ZINC000269147648 910160617 /nfs/dbraw/zinc/16/06/17/910160617.db2.gz OOKFUDUGPPMQKT-UHFFFAOYSA-N 1 0 392.551 3.574 20 30 GHEDRO COc1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1OCCCC#N ZINC000269294933 910206633 /nfs/dbraw/zinc/20/66/33/910206633.db2.gz ABQWODQGBUYKDH-UHFFFAOYSA-N 1 0 387.524 3.552 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1OC ZINC000246312695 910227268 /nfs/dbraw/zinc/22/72/68/910227268.db2.gz WIKUDTRHKPRHOK-QIJUGHKUSA-N 1 0 393.531 3.986 20 30 GHEDRO C[C@H](OC(=O)C1CC[NH+](C2CC2)CC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000801870900 921562460 /nfs/dbraw/zinc/56/24/60/921562460.db2.gz BPGGOUJPHSJDID-PZBNQXIHSA-N 1 0 396.531 3.673 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1cc(F)c(C)cc1F)[n+]1cccc(C)c1 ZINC000269685840 910335294 /nfs/dbraw/zinc/33/52/94/910335294.db2.gz HJYXKESIEXBNBX-UHFFFAOYSA-O 1 0 395.520 3.761 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)OCC ZINC000270063872 910424072 /nfs/dbraw/zinc/42/40/72/910424072.db2.gz PPVYHMZMJQCJJX-HXUWFJFHSA-N 1 0 377.504 3.666 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1CCc2nccn2CC1 ZINC001181358129 910722643 /nfs/dbraw/zinc/72/26/43/910722643.db2.gz UNZQVAQNBPHABX-UHFFFAOYSA-N 1 0 390.572 3.647 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)Nc2ccc(C#N)cc2O)C1 ZINC001181346741 910742051 /nfs/dbraw/zinc/74/20/51/910742051.db2.gz PHWBWQBKCZJTEA-DLBZAZTESA-N 1 0 399.441 3.995 20 30 GHEDRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000773919297 910757693 /nfs/dbraw/zinc/75/76/93/910757693.db2.gz GYELDNXYGCWSLV-CVDCTZTESA-N 1 0 399.535 3.541 20 30 GHEDRO C=CCc1cc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1O ZINC000271193546 910811535 /nfs/dbraw/zinc/81/15/35/910811535.db2.gz SWJIXIYXMFPWJP-UHFFFAOYSA-N 1 0 394.515 3.866 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)ccc1C#N ZINC001181526357 910819019 /nfs/dbraw/zinc/81/90/19/910819019.db2.gz WYJJGHHYZAVMRH-UHFFFAOYSA-N 1 0 375.428 3.542 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc(C#N)cc1 ZINC000271610163 910982565 /nfs/dbraw/zinc/98/25/65/910982565.db2.gz AXIPAXPOSCHLSE-INIZCTEOSA-N 1 0 390.487 3.520 20 30 GHEDRO N#Cc1ccccc1CC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001181797521 910991020 /nfs/dbraw/zinc/99/10/20/910991020.db2.gz DZPAYCYAGKHURL-QHCPKHFHSA-N 1 0 377.463 3.507 20 30 GHEDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773957121 911093852 /nfs/dbraw/zinc/09/38/52/911093852.db2.gz JRNYHGIBHXHGOI-JTSKRJEESA-N 1 0 378.476 3.505 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000091856506 911304228 /nfs/dbraw/zinc/30/42/28/911304228.db2.gz SAAQSHPQFDLMSL-RDJZCZTQSA-N 1 0 398.894 3.877 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)CCc2cccc(C#N)c2)CC1 ZINC001182339984 911508279 /nfs/dbraw/zinc/50/82/79/911508279.db2.gz AWQXQNYJCIMLAI-UHFFFAOYSA-N 1 0 379.479 3.753 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1OC ZINC000283989252 911714086 /nfs/dbraw/zinc/71/40/86/911714086.db2.gz LWSOQUUITWXTRV-INIZCTEOSA-N 1 0 389.517 3.904 20 30 GHEDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000284070574 911741902 /nfs/dbraw/zinc/74/19/02/911741902.db2.gz QKFCOVSBOOOWNP-NRFANRHFSA-N 1 0 397.519 3.779 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000642267638 911927066 /nfs/dbraw/zinc/92/70/66/911927066.db2.gz UBWCMJRFVLNWMS-OAQYLSRUSA-N 1 0 394.515 3.583 20 30 GHEDRO C[C@H](C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC001182800383 912031426 /nfs/dbraw/zinc/03/14/26/912031426.db2.gz RLRZRIQZAIMOLJ-INIZCTEOSA-N 1 0 381.907 3.878 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000284896044 912069130 /nfs/dbraw/zinc/06/91/30/912069130.db2.gz LVMBSUMLWZYAKM-UHFFFAOYSA-N 1 0 380.467 3.728 20 30 GHEDRO C=CCSCC(=O)N1CCC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001273477728 912097997 /nfs/dbraw/zinc/09/79/97/912097997.db2.gz GQOOUXNHNFKUJO-KRWDZBQOSA-N 1 0 378.504 3.953 20 30 GHEDRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c1Br ZINC001275003372 912118254 /nfs/dbraw/zinc/11/82/54/912118254.db2.gz PUIMFDKCJOMZAJ-IAGOWNOFSA-N 1 0 390.325 3.627 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)CC1 ZINC000285076120 912152750 /nfs/dbraw/zinc/15/27/50/912152750.db2.gz KILOHORDSJRLHM-UHFFFAOYSA-N 1 0 394.494 3.756 20 30 GHEDRO C[C@H]1[C@H](CC(=O)Nc2nnccc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186934721 914883982 /nfs/dbraw/zinc/88/39/82/914883982.db2.gz JOXQSJAFGOIHSN-LAUBAEHRSA-N 1 0 397.482 3.787 20 30 GHEDRO C=CCN1C(=O)[C@]2(CC[N@@H+](Cc3ccc(Br)o3)C2)c2ccccc21 ZINC001275571981 914899428 /nfs/dbraw/zinc/89/94/28/914899428.db2.gz QZTUAAXZIOAQMH-IBGZPJMESA-N 1 0 387.277 3.718 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000291050268 914940650 /nfs/dbraw/zinc/94/06/50/914940650.db2.gz MTXGLAPWRSBABI-GOSISDBHSA-N 1 0 389.478 3.714 20 30 GHEDRO COCCOCc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000291072335 914957244 /nfs/dbraw/zinc/95/72/44/914957244.db2.gz RZUGNBLACJFVDR-UHFFFAOYSA-N 1 0 398.503 3.831 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCC(c2ccccc2)c2ccccc2)cc1OC ZINC000303772523 915120719 /nfs/dbraw/zinc/12/07/19/915120719.db2.gz DQZYZUAFIDKWLH-UHFFFAOYSA-N 1 0 389.499 3.940 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)CC1 ZINC000366806831 921753259 /nfs/dbraw/zinc/75/32/59/921753259.db2.gz WRZKZBXMYRYBIB-IBGZPJMESA-N 1 0 389.337 3.766 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@H](O)COc2cccc(Cl)c2Cl)cc1C ZINC000303871102 915229827 /nfs/dbraw/zinc/22/98/27/915229827.db2.gz FRYAPCMDQLBRQD-AWEZNQCLSA-N 1 0 382.291 3.777 20 30 GHEDRO [NH2+]=C(NCCc1cccs1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000303901127 915303224 /nfs/dbraw/zinc/30/32/24/915303224.db2.gz SMIYFZNGQOSICH-GOSISDBHSA-N 1 0 376.957 3.685 20 30 GHEDRO [NH2+]=C(NCCc1ccccc1)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000303981070 915347061 /nfs/dbraw/zinc/34/70/61/915347061.db2.gz OTEONDIZCFVEJB-UHFFFAOYSA-N 1 0 383.499 3.732 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000303979689 915347215 /nfs/dbraw/zinc/34/72/15/915347215.db2.gz NIFORGJLLHXDOT-UHFFFAOYSA-N 1 0 389.297 3.685 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCCNC(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000303979470 915347269 /nfs/dbraw/zinc/34/72/69/915347269.db2.gz NGMGHVYIIKDQJP-LLVKDONJSA-N 1 0 399.347 3.840 20 30 GHEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])Nc3ccc(OC)c(Cl)c3)C2)c1 ZINC000303987826 915350509 /nfs/dbraw/zinc/35/05/09/915350509.db2.gz VWNUCTXWMBMCEV-AWEZNQCLSA-N 1 0 388.899 3.610 20 30 GHEDRO C[C@@H]1CCCN(C(=[NH2+])NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000303991183 915350570 /nfs/dbraw/zinc/35/05/70/915350570.db2.gz ZKQSQOQITDXTHM-OAHLLOKOSA-N 1 0 394.357 3.544 20 30 GHEDRO [NH2+]=C(NCc1ccc(OCC(F)(F)F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000304473612 915516334 /nfs/dbraw/zinc/51/63/34/915516334.db2.gz GDEZQNDTINBKDT-MRXNPFEDSA-N 1 0 379.382 3.556 20 30 GHEDRO [NH2+]=C(NCc1coc(-c2cccs2)n1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304515138 915528467 /nfs/dbraw/zinc/52/84/67/915528467.db2.gz YMJSHLKXOXHOGW-UHFFFAOYSA-N 1 0 396.394 3.906 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2OC)C(=S)NC2CCC2)cc1 ZINC000292269894 915590662 /nfs/dbraw/zinc/59/06/62/915590662.db2.gz GSNUDQPLFYFCJN-UHFFFAOYSA-O 1 0 399.536 3.635 20 30 GHEDRO CCc1c(C(=O)C(C(=S)NC2CCC2)[n+]2ccc(C)cc2)[nH]c(C)c1C(C)=O ZINC000292328580 915620520 /nfs/dbraw/zinc/62/05/20/915620520.db2.gz NFEUSPPQKDBESP-UHFFFAOYSA-O 1 0 398.552 3.765 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2CCC2)[n+]2ccc(N(C)C)cc2)c(C)s1 ZINC000292397405 915655113 /nfs/dbraw/zinc/65/51/13/915655113.db2.gz WTPSKCDGPQFJQN-UHFFFAOYSA-O 1 0 388.582 3.799 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C[C@H](C)O)c2ccccc2)c1 ZINC000304998930 915819210 /nfs/dbraw/zinc/81/92/10/915819210.db2.gz AUCAVSZPNXQODA-FUHWJXTLSA-N 1 0 385.508 3.765 20 30 GHEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N(C)C)cc1 ZINC000305181958 915980822 /nfs/dbraw/zinc/98/08/22/915980822.db2.gz BPCHGZGQZBHDCU-INIZCTEOSA-N 1 0 380.414 3.923 20 30 GHEDRO COc1cc(OC)c(OC)cc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000305251848 916031109 /nfs/dbraw/zinc/03/11/09/916031109.db2.gz VGUUBMKLCLYYBS-UHFFFAOYSA-N 1 0 399.369 3.538 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(Br)ccc3F)CC2)C1=O ZINC001275714692 916298401 /nfs/dbraw/zinc/29/84/01/916298401.db2.gz IYBFBDHQWIWHPV-UHFFFAOYSA-N 1 0 381.289 3.589 20 30 GHEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000360794721 916322642 /nfs/dbraw/zinc/32/26/42/916322642.db2.gz UQKOIXMIQZZHNO-KKSFZXQISA-N 1 0 393.487 3.590 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001188995537 916328030 /nfs/dbraw/zinc/32/80/30/916328030.db2.gz VSNSHBBUMAMSMG-XMSQKQJNSA-N 1 0 384.545 3.604 20 30 GHEDRO CCOc1cccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000775211410 916346404 /nfs/dbraw/zinc/34/64/04/916346404.db2.gz DLISLNXAUVRFBH-HNAYVOBHSA-N 1 0 386.455 3.973 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccc(C(=O)OC(C)(C)C)c2)cc1OC ZINC000305782573 916376194 /nfs/dbraw/zinc/37/61/94/916376194.db2.gz VPYVEFBTTRYARS-UHFFFAOYSA-N 1 0 385.464 3.586 20 30 GHEDRO CN(C(=[NH2+])NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)C1CC1 ZINC000305805478 916446876 /nfs/dbraw/zinc/44/68/76/916446876.db2.gz GERVFFSAJVRLBZ-GOSISDBHSA-N 1 0 388.968 3.910 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCCN2CCc2ccccc2Br)C1=O ZINC001275758009 916948577 /nfs/dbraw/zinc/94/85/77/916948577.db2.gz XQDVZWOBIAAGPN-IBGZPJMESA-N 1 0 377.326 3.635 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N2CCC3(CC2)CN(Cc2ccoc2)CCO3)cc1 ZINC001190216535 917201844 /nfs/dbraw/zinc/20/18/44/917201844.db2.gz IJYXMQBQPBAPAX-UHFFFAOYSA-N 1 0 394.515 3.905 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000775398952 917416091 /nfs/dbraw/zinc/41/60/91/917416091.db2.gz OZDXOTYGVGSWRQ-FXAWDEMLSA-N 1 0 380.488 3.544 20 30 GHEDRO CC(C)C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001190615905 917420798 /nfs/dbraw/zinc/42/07/98/917420798.db2.gz INKQJKNCYYWBQA-UHFFFAOYSA-N 1 0 375.513 3.558 20 30 GHEDRO C#CCN(CC[C@H]1CCC[N@H+]1C)[C@H]1CCOc2ccc(Br)cc21 ZINC001191047526 917750304 /nfs/dbraw/zinc/75/03/04/917750304.db2.gz GLVWVBIWPXAUBT-AEFFLSMTSA-N 1 0 377.326 3.692 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652641149 917964713 /nfs/dbraw/zinc/96/47/13/917964713.db2.gz XFUDSGNNCYXSHT-UHFFFAOYSA-N 1 0 379.504 3.513 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000296205133 917988208 /nfs/dbraw/zinc/98/82/08/917988208.db2.gz FQQIIHCBFOLTIE-UHFFFAOYSA-N 1 0 395.503 3.631 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H](C)[N@H+]1C ZINC000296439939 918272245 /nfs/dbraw/zinc/27/22/45/918272245.db2.gz OFURFMZMNOWWTR-HDICACEKSA-N 1 0 392.503 3.888 20 30 GHEDRO Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)CC2)nc1 ZINC000363669739 918640954 /nfs/dbraw/zinc/64/09/54/918640954.db2.gz BWWRPRKDQLXZPG-YADHBBJMSA-N 1 0 388.515 3.905 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC#N)C[C@@H]2C1 ZINC000796598344 918682618 /nfs/dbraw/zinc/68/26/18/918682618.db2.gz DKJFVEJKGNSQCX-IYBDPMFKSA-N 1 0 391.899 3.541 20 30 GHEDRO C=CCC[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000297358682 919268355 /nfs/dbraw/zinc/26/83/55/919268355.db2.gz PDYHRKVENOTATB-IUPYZPJSSA-N 1 0 385.552 3.977 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000297408693 919301262 /nfs/dbraw/zinc/30/12/62/919301262.db2.gz NRZABAKNEMYYGJ-OAQYLSRUSA-N 1 0 392.503 3.658 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001275892381 919324200 /nfs/dbraw/zinc/32/42/00/919324200.db2.gz BVUAIHKVVVIFOV-UHFFFAOYSA-N 1 0 375.900 3.554 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000114751813 919416251 /nfs/dbraw/zinc/41/62/51/919416251.db2.gz WRSBYFMNTHCAHE-HRAATJIYSA-N 1 0 395.528 3.753 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900635024 920474891 /nfs/dbraw/zinc/47/48/91/920474891.db2.gz DGYNQHHVMNWPGR-WWDZGPRUSA-N 1 0 387.549 3.910 20 30 GHEDRO N#C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000900641945 920483056 /nfs/dbraw/zinc/48/30/56/920483056.db2.gz BLYZSRJHEJWPEB-RWKZGTHUSA-N 1 0 396.318 3.565 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000298467917 920572019 /nfs/dbraw/zinc/57/20/19/920572019.db2.gz IOGSYHXJHUMGGE-LJQANCHMSA-N 1 0 399.292 3.785 20 30 GHEDRO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000901312390 921007915 /nfs/dbraw/zinc/00/79/15/921007915.db2.gz YTPLNIQXRDOQBH-IZZQQSIFSA-N 1 0 381.524 3.660 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3F)CC2)C1=O ZINC001275993512 921017614 /nfs/dbraw/zinc/01/76/14/921017614.db2.gz KYELUODMEHWDDS-HXUWFJFHSA-N 1 0 377.891 3.987 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(F)(F)c3ccccc3C#N)cc2)CC1 ZINC000901327219 921018497 /nfs/dbraw/zinc/01/84/97/921018497.db2.gz VMLZHABYMFEPOG-UHFFFAOYSA-N 1 0 398.457 3.819 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000802601229 922250594 /nfs/dbraw/zinc/25/05/94/922250594.db2.gz MWAXIXJMZJRCAW-UHFFFAOYSA-N 1 0 386.931 3.634 20 30 GHEDRO CC(C)[C@H]1C[C@@H](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000367820797 922327033 /nfs/dbraw/zinc/32/70/33/922327033.db2.gz KYSNPCAYHGYNDA-LEWJYISDSA-N 1 0 383.536 3.502 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c(O)c(OC)c1 ZINC000902615564 922347566 /nfs/dbraw/zinc/34/75/66/922347566.db2.gz FHGBIPHMWNFKHB-AWEZNQCLSA-N 1 0 393.409 3.928 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)CC3 ZINC000367928617 922380930 /nfs/dbraw/zinc/38/09/30/922380930.db2.gz KTOIWQYXSHCIDI-IBGZPJMESA-N 1 0 385.515 3.859 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1(C#N)CCSCC1 ZINC000903020816 922715687 /nfs/dbraw/zinc/71/56/87/922715687.db2.gz HGPJMTCTOSYEKP-UHFFFAOYSA-N 1 0 375.563 3.519 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000903280108 922905372 /nfs/dbraw/zinc/90/53/72/922905372.db2.gz SJERWLJMFAKQLN-QGUMVPPKSA-N 1 0 391.556 3.853 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000369084862 923098083 /nfs/dbraw/zinc/09/80/83/923098083.db2.gz OQTISCRVMZFLGP-DYXWJJEUSA-N 1 0 392.528 3.501 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCCC12CCOCC2)c1cccc(Cl)c1 ZINC000370316040 924030367 /nfs/dbraw/zinc/03/03/67/924030367.db2.gz RMUZPHCTOMZGSW-SFHVURJKSA-N 1 0 375.900 3.526 20 30 GHEDRO C#CCNC(=O)C1CC[NH+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000370565636 924175538 /nfs/dbraw/zinc/17/55/38/924175538.db2.gz MLMSYWCHZNTYCV-OAHLLOKOSA-N 1 0 385.895 3.826 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)c2ccc(C(F)(F)F)c(C#N)n2)c1 ZINC000409661025 924863013 /nfs/dbraw/zinc/86/30/13/924863013.db2.gz KWQWRQSURYBDHU-UHFFFAOYSA-N 1 0 378.398 3.549 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC[C@@H]21 ZINC000827321861 925270332 /nfs/dbraw/zinc/27/03/32/925270332.db2.gz WKPATIPZCDCBLN-KNQAVFIVSA-N 1 0 375.472 3.711 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1ccc(C#N)cc1 ZINC000410048186 925287020 /nfs/dbraw/zinc/28/70/20/925287020.db2.gz KHLQNWFYDYIEEY-JOCHJYFZSA-N 1 0 391.515 3.526 20 30 GHEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1=O ZINC000410420281 925634794 /nfs/dbraw/zinc/63/47/94/925634794.db2.gz OOHWSZWTWYVARZ-LAUBAEHRSA-N 1 0 377.488 3.719 20 30 GHEDRO C#C[C@H]([NH2+]CC1(CCC)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000827559904 925811446 /nfs/dbraw/zinc/81/14/46/925811446.db2.gz LFHWHOMZIAAPQW-IBGZPJMESA-N 1 0 378.557 3.822 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411165380 926154828 /nfs/dbraw/zinc/15/48/28/926154828.db2.gz KBCFYHHVPHHKEX-OAHLLOKOSA-N 1 0 396.447 3.714 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411169163 926162874 /nfs/dbraw/zinc/16/28/74/926162874.db2.gz RSZYJUUEZHFQRL-INIZCTEOSA-N 1 0 381.476 3.815 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)c1C#N ZINC000133272582 926164110 /nfs/dbraw/zinc/16/41/10/926164110.db2.gz XDQPKFPCXQMNQX-UHFFFAOYSA-N 1 0 397.479 3.862 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2csc3ccccc23)c1C#N ZINC000133524656 926306619 /nfs/dbraw/zinc/30/66/19/926306619.db2.gz UQIOPDYHXFNFAG-UHFFFAOYSA-N 1 0 381.505 3.609 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000373649367 926312971 /nfs/dbraw/zinc/31/29/71/926312971.db2.gz ULZKVLBVFXFPHR-JXFKEZNVSA-N 1 0 375.538 3.910 20 30 GHEDRO CCC[N@H+](C[C@@H]1CCCCO1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411368266 926339561 /nfs/dbraw/zinc/33/95/61/926339561.db2.gz NLFUUHMZDCNAPY-PXNSSMCTSA-N 1 0 375.488 3.742 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@]3(C)CCCO)sc2C1 ZINC000411433575 926389174 /nfs/dbraw/zinc/38/91/74/926389174.db2.gz APGVAQVHDSZPTC-QVKFZJNVSA-N 1 0 389.565 3.700 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000411444119 926397159 /nfs/dbraw/zinc/39/71/59/926397159.db2.gz ZOWHIVMHVXZSSO-CYBMUJFWSA-N 1 0 387.867 3.908 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000411437564 926403015 /nfs/dbraw/zinc/40/30/15/926403015.db2.gz LHYMTTAIXOETFW-ZDUSSCGKSA-N 1 0 399.516 3.805 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000411470377 926429106 /nfs/dbraw/zinc/42/91/06/926429106.db2.gz CANYAGKIGOZPPM-AOMKIAJQSA-N 1 0 385.471 3.509 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000411470384 926429212 /nfs/dbraw/zinc/42/92/12/926429212.db2.gz CANYAGKIGOZPPM-KSFYIVLOSA-N 1 0 385.471 3.509 20 30 GHEDRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C(C)(C)C)cn1 ZINC000411476253 926434299 /nfs/dbraw/zinc/43/42/99/926434299.db2.gz PEKOADJKVMZEGP-GOSISDBHSA-N 1 0 385.537 3.548 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000725802664 926446187 /nfs/dbraw/zinc/44/61/87/926446187.db2.gz YQIWRVYGXOWKOZ-UHFFFAOYSA-N 1 0 381.451 3.817 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](CCOc2ccccc2C#N)C2CC2)CC1 ZINC000725800945 926446678 /nfs/dbraw/zinc/44/66/78/926446678.db2.gz VMJBHWHUPNIZDI-UHFFFAOYSA-N 1 0 385.508 3.801 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CCCO1 ZINC000411516667 926475470 /nfs/dbraw/zinc/47/54/70/926475470.db2.gz KITWTRXRHJIWGZ-RRQGHBQHSA-N 1 0 375.538 3.620 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CCCO1 ZINC000411516666 926475640 /nfs/dbraw/zinc/47/56/40/926475640.db2.gz KITWTRXRHJIWGZ-JQFCIGGWSA-N 1 0 375.538 3.620 20 30 GHEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411551389 926510433 /nfs/dbraw/zinc/51/04/33/926510433.db2.gz MSLRVPGDOQEBOI-JOCHJYFZSA-N 1 0 378.520 3.633 20 30 GHEDRO COc1cccc([C@@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)[NH+](C)C)c1 ZINC000726441823 926665627 /nfs/dbraw/zinc/66/56/27/926665627.db2.gz SCQZOPUOFCCGFA-GOSISDBHSA-N 1 0 388.924 3.810 20 30 GHEDRO C#Cc1cccc(NC(=S)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000726468856 926687181 /nfs/dbraw/zinc/68/71/81/926687181.db2.gz WLNJAMLHARYSJC-UHFFFAOYSA-N 1 0 392.572 3.557 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411812376 926798843 /nfs/dbraw/zinc/79/88/43/926798843.db2.gz XSARUGYNDKUBRQ-IAOVAPTHSA-N 1 0 375.538 3.620 20 30 GHEDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 ZINC000411970935 926954865 /nfs/dbraw/zinc/95/48/65/926954865.db2.gz NYHZTJIYTXJDAA-SXGZJXTBSA-N 1 0 375.538 3.813 20 30 GHEDRO CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000749249624 927016411 /nfs/dbraw/zinc/01/64/11/927016411.db2.gz FGWNVXZKLLWOHK-GOSISDBHSA-N 1 0 398.551 3.684 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC001276191714 927036544 /nfs/dbraw/zinc/03/65/44/927036544.db2.gz QZJFICRBFSXBIJ-UHFFFAOYSA-N 1 0 377.891 3.987 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000412062062 927056063 /nfs/dbraw/zinc/05/60/63/927056063.db2.gz IEFMLUQCWQJNOX-QGZVFWFLSA-N 1 0 385.508 3.721 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412074849 927063253 /nfs/dbraw/zinc/06/32/53/927063253.db2.gz RHYBCCOEYOAIII-IAGOWNOFSA-N 1 0 385.508 3.719 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)o2)c1 ZINC000749503635 927155093 /nfs/dbraw/zinc/15/50/93/927155093.db2.gz NEAUKJPZFZUDRR-VQTJNVASSA-N 1 0 392.434 3.835 20 30 GHEDRO COc1ccc(C[N@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N ZINC000749523063 927166271 /nfs/dbraw/zinc/16/62/71/927166271.db2.gz NISKXPRWDZRBED-UHFFFAOYSA-N 1 0 385.508 3.931 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000749695873 927243019 /nfs/dbraw/zinc/24/30/19/927243019.db2.gz XKFBDRCXPUXMMG-OALUTQOASA-N 1 0 393.572 3.523 20 30 GHEDRO Brc1cn2ccnc2c(N=NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000749861677 927317330 /nfs/dbraw/zinc/31/73/30/927317330.db2.gz VPISKFAPYMOCQH-UHFFFAOYSA-N 1 0 391.317 3.688 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000749926112 927352805 /nfs/dbraw/zinc/35/28/05/927352805.db2.gz IXVNFFYVUYBNCB-FQEVSTJZSA-N 1 0 383.879 3.918 20 30 GHEDRO N#Cc1ccccc1N1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000750051498 927405171 /nfs/dbraw/zinc/40/51/71/927405171.db2.gz ZCBUVRISTHKUIF-UHFFFAOYSA-N 1 0 388.515 3.553 20 30 GHEDRO CC(C)(C)c1csc(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000750061210 927412408 /nfs/dbraw/zinc/41/24/08/927412408.db2.gz HGYVANXWDYZGSU-SFHVURJKSA-N 1 0 399.560 3.932 20 30 GHEDRO CC(C)Oc1cccc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000374862656 927615118 /nfs/dbraw/zinc/61/51/18/927615118.db2.gz GLYFAGSPQNCJFE-UHFFFAOYSA-N 1 0 391.515 3.691 20 30 GHEDRO Cn1cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000374882291 927650279 /nfs/dbraw/zinc/65/02/79/927650279.db2.gz XTTWOACULJYRBY-DEOSSOPVSA-N 1 0 386.499 3.904 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000750831585 927880542 /nfs/dbraw/zinc/88/05/42/927880542.db2.gz CBXCSXNINCAHAD-VQTJNVASSA-N 1 0 397.544 3.604 20 30 GHEDRO Cc1nc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)ccc1C#N ZINC000413337403 928453587 /nfs/dbraw/zinc/45/35/87/928453587.db2.gz ZZDGCRXBEMPLMJ-UHFFFAOYSA-N 1 0 395.938 3.706 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC000751892652 928457036 /nfs/dbraw/zinc/45/70/36/928457036.db2.gz HRVUREVVCQOKBO-HXUWFJFHSA-N 1 0 392.503 3.604 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1C#N ZINC000752308844 928746778 /nfs/dbraw/zinc/74/67/78/928746778.db2.gz VOZNIIHDWWXETG-HUUCEWRRSA-N 1 0 387.484 3.511 20 30 GHEDRO CO[C@H](C)C[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(C)C ZINC000467156028 928769207 /nfs/dbraw/zinc/76/92/07/928769207.db2.gz WEXLBQARFCHVLV-MRXNPFEDSA-N 1 0 382.508 3.650 20 30 GHEDRO COCCOc1ccc(C#N)cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000544373541 929104443 /nfs/dbraw/zinc/10/44/43/929104443.db2.gz NFPWMHQEJYWDLK-BHDDXSALSA-N 1 0 391.515 3.906 20 30 GHEDRO C#C[C@H](CC)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000753248927 929269441 /nfs/dbraw/zinc/26/94/41/929269441.db2.gz UHANSWGLZCWJOH-KBAYOESNSA-N 1 0 381.442 3.799 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000757707354 929778635 /nfs/dbraw/zinc/77/86/35/929778635.db2.gz PLFMWKGSBLAOIW-LIRRHRJNSA-N 1 0 380.517 3.569 20 30 GHEDRO C#CC[C@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000757769242 929794160 /nfs/dbraw/zinc/79/41/60/929794160.db2.gz WBIDNEZTRLLCAC-GOTSBHOMSA-N 1 0 390.531 3.842 20 30 GHEDRO N#Cc1ccc(C(=O)OC[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)s1 ZINC000757891680 929841879 /nfs/dbraw/zinc/84/18/79/929841879.db2.gz QJZYVYRAANUREA-CYBMUJFWSA-N 1 0 376.428 3.967 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469448466 929900980 /nfs/dbraw/zinc/90/09/80/929900980.db2.gz POJFQSVDRSTOJO-BTYIYWSLSA-N 1 0 377.479 3.662 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)n1 ZINC000546208770 929959785 /nfs/dbraw/zinc/95/97/85/929959785.db2.gz DCAPFZQFZURZBO-UHFFFAOYSA-N 1 0 394.482 3.590 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469577690 930003261 /nfs/dbraw/zinc/00/32/61/930003261.db2.gz BZVFVPDQINQUCD-UHFFFAOYSA-N 1 0 378.476 3.742 20 30 GHEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000469601399 930018902 /nfs/dbraw/zinc/01/89/02/930018902.db2.gz VBVFGNCDTPSZLX-CVEARBPZSA-N 1 0 389.927 3.554 20 30 GHEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469792796 930165495 /nfs/dbraw/zinc/16/54/95/930165495.db2.gz WYHDEKBUXWPXME-MSOLQXFVSA-N 1 0 398.494 3.827 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000758791812 930169274 /nfs/dbraw/zinc/16/92/74/930169274.db2.gz JWAQXCCJWVRNJZ-IRXDYDNUSA-N 1 0 382.508 3.936 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000469935463 930267476 /nfs/dbraw/zinc/26/74/76/930267476.db2.gz NQIGUZLPKLBNDJ-GOSISDBHSA-N 1 0 380.467 3.980 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@H]1C ZINC000470202889 930449954 /nfs/dbraw/zinc/44/99/54/930449954.db2.gz MVYSUEUUWKXOAB-MSOLQXFVSA-N 1 0 390.959 3.700 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000470217098 930459832 /nfs/dbraw/zinc/45/98/32/930459832.db2.gz DKVRROLERFFFKF-LJQANCHMSA-N 1 0 390.487 3.549 20 30 GHEDRO Cc1cc(C(=O)OCCC[N@@H+](C)Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000780431810 930516851 /nfs/dbraw/zinc/51/68/51/930516851.db2.gz ZRBJCMDBNNVGSZ-UHFFFAOYSA-N 1 0 388.471 3.731 20 30 GHEDRO N#Cc1cccc(N2CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)n1 ZINC000546966648 930571364 /nfs/dbraw/zinc/57/13/64/930571364.db2.gz RENAPRMXJNJXNQ-UHFFFAOYSA-N 1 0 394.482 3.614 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1F ZINC000781422033 930837677 /nfs/dbraw/zinc/83/76/77/930837677.db2.gz KPWSMIWKCZJIAE-APPDUMDISA-N 1 0 376.815 3.506 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000783097009 931412477 /nfs/dbraw/zinc/41/24/77/931412477.db2.gz OAOZSBSYBFBFFU-CZTZKLFOSA-N 1 0 375.509 3.850 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cccc(CO)c1 ZINC000924972519 931598685 /nfs/dbraw/zinc/59/86/85/931598685.db2.gz MCTFFHMYASKYTL-QGZVFWFLSA-N 1 0 387.524 3.588 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000924989978 931604681 /nfs/dbraw/zinc/60/46/81/931604681.db2.gz WOYKHFCQJWJXTJ-LMCOJAPRSA-N 1 0 377.573 3.793 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000924989982 931604748 /nfs/dbraw/zinc/60/47/48/931604748.db2.gz WOYKHFCQJWJXTJ-RNQOJCNYSA-N 1 0 377.573 3.793 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000925561411 931823440 /nfs/dbraw/zinc/82/34/40/931823440.db2.gz BMBGJNKVNBMSNI-ZWKOTPCHSA-N 1 0 391.556 3.997 20 30 GHEDRO N#CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000784329882 931858302 /nfs/dbraw/zinc/85/83/02/931858302.db2.gz ZTVZYMXOPIHHAI-CEMLEFRQSA-N 1 0 389.499 3.619 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1OC ZINC000558152748 931860776 /nfs/dbraw/zinc/86/07/76/931860776.db2.gz PTLCDZVYCNOPCN-QZTJIDSGSA-N 1 0 395.503 3.998 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784488965 931911874 /nfs/dbraw/zinc/91/18/74/931911874.db2.gz YNKCHKSXGFLBBT-ALKREAHSSA-N 1 0 381.442 3.938 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(C#N)cc3)C[C@@H]21 ZINC000784498683 931914915 /nfs/dbraw/zinc/91/49/15/931914915.db2.gz PTWKEFBETYXYAM-YSIASYRMSA-N 1 0 385.508 3.562 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000926017538 932002543 /nfs/dbraw/zinc/00/25/43/932002543.db2.gz GYGNXMNLDSGLHZ-FQEVSTJZSA-N 1 0 378.476 3.647 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1C#N ZINC000558469357 932020193 /nfs/dbraw/zinc/02/01/93/932020193.db2.gz QCKYWGOTPFDUPV-WOJBJXKFSA-N 1 0 383.879 3.533 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000796706514 932037452 /nfs/dbraw/zinc/03/74/52/932037452.db2.gz XQFPLBATRNFPIZ-IBGZPJMESA-N 1 0 390.531 3.714 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000558630660 932124945 /nfs/dbraw/zinc/12/49/45/932124945.db2.gz STQCEWDUFHZICH-FPOVZHCZSA-N 1 0 383.536 3.878 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC000558675914 932158677 /nfs/dbraw/zinc/15/86/77/932158677.db2.gz UTZAOHJVCNXQJX-UHFFFAOYSA-N 1 0 376.508 3.518 20 30 GHEDRO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000926784606 932305528 /nfs/dbraw/zinc/30/55/28/932305528.db2.gz FRLRJLUQIFDYDW-QMHKHESXSA-N 1 0 394.494 3.522 20 30 GHEDRO CC(C)[C@H]1CN([C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000926806292 932314553 /nfs/dbraw/zinc/31/45/53/932314553.db2.gz FJLYZKSHVIRZNG-RBUKOAKNSA-N 1 0 392.588 3.578 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000558984093 932355893 /nfs/dbraw/zinc/35/58/93/932355893.db2.gz MGXMHHJHMRRNTB-RXVVDRJESA-N 1 0 395.551 3.699 20 30 GHEDRO Cc1ccc(S(=O)(=O)NN=C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000797784844 932407135 /nfs/dbraw/zinc/40/71/35/932407135.db2.gz KPFXLWQAMIDWTE-UHFFFAOYSA-N 1 0 385.533 3.704 20 30 GHEDRO CC1([NH+]2CCCC2)CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000928011280 932763244 /nfs/dbraw/zinc/76/32/44/932763244.db2.gz NLQHUNVRMKQCFO-UHFFFAOYSA-N 1 0 396.535 3.580 20 30 GHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H](O)c2ccc(F)cn2)cc1 ZINC000799306613 932945711 /nfs/dbraw/zinc/94/57/11/932945711.db2.gz QAYGXVKOZPNKRZ-QFIPXVFZSA-N 1 0 379.410 3.967 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)ccc1C#N ZINC000799336220 932955968 /nfs/dbraw/zinc/95/59/68/932955968.db2.gz KALQXAXRYNVRMM-HNNXBMFYSA-N 1 0 383.467 3.518 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)ccc1C#N ZINC000799735261 933104178 /nfs/dbraw/zinc/10/41/78/933104178.db2.gz XRFHHPVHWHUCMU-IPMKNSEASA-N 1 0 385.508 3.692 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)NCC[NH+]3CC=CC3)cc2Cl)c1 ZINC001116281113 933453633 /nfs/dbraw/zinc/45/36/33/933453633.db2.gz NLEIPBRMJSGUJT-UHFFFAOYSA-N 1 0 396.878 3.784 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1COc2ccccc21 ZINC000560713519 933487015 /nfs/dbraw/zinc/48/70/15/933487015.db2.gz HNEFEXSUEMGGGT-GUYCJALGSA-N 1 0 381.501 3.591 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC001116382081 933526227 /nfs/dbraw/zinc/52/62/27/933526227.db2.gz GJJBQEUOWHEIGO-PCCBWWKXSA-N 1 0 380.467 3.915 20 30 GHEDRO C#CC[NH+]1CCC(c2nnc(-c3ccc(OCCC(C)C)c(OC)c3)o2)CC1 ZINC001117217358 933892142 /nfs/dbraw/zinc/89/21/42/933892142.db2.gz DSZZHIXEUSIXPA-UHFFFAOYSA-N 1 0 383.492 3.983 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561397687 934120984 /nfs/dbraw/zinc/12/09/84/934120984.db2.gz JFJAOTHUTCWQCI-HXUWFJFHSA-N 1 0 388.519 3.545 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000930980080 934323251 /nfs/dbraw/zinc/32/32/51/934323251.db2.gz RZSZGUPLPVXOGY-UHFFFAOYSA-N 1 0 397.429 3.576 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000931060230 934355285 /nfs/dbraw/zinc/35/52/85/934355285.db2.gz RPGKLFFSWCKAAC-FQEVSTJZSA-N 1 0 384.568 3.782 20 30 GHEDRO Cc1c(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cnn1CCC#N ZINC001119516829 934363500 /nfs/dbraw/zinc/36/35/00/934363500.db2.gz IQZYVPHMJAQXJG-HDICACEKSA-N 1 0 393.535 3.513 20 30 GHEDRO N#CCc1ccsc1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001121147601 934575326 /nfs/dbraw/zinc/57/53/26/934575326.db2.gz YZVKHGGRNZUEFX-AABGKKOBSA-N 1 0 379.529 3.845 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Cc3ccc(C#N)cc3)n2C)CC1 ZINC001121306112 934619927 /nfs/dbraw/zinc/61/99/27/934619927.db2.gz VIKYHIKKSPASMR-SFHVURJKSA-N 1 0 394.567 3.590 20 30 GHEDRO C=CCn1c(-c2ccco2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121369836 934639679 /nfs/dbraw/zinc/63/96/79/934639679.db2.gz BFZVTMLITHYOMZ-LJQANCHMSA-N 1 0 377.492 3.682 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001121492068 934672523 /nfs/dbraw/zinc/67/25/23/934672523.db2.gz ADOYNTQPEJYBDA-QZWWFDLISA-N 1 0 379.499 3.533 20 30 GHEDRO C=CCn1c(-c2cccc3ocnc32)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121553968 934695501 /nfs/dbraw/zinc/69/55/01/934695501.db2.gz VVSBVNJJPPTGFN-KRWDZBQOSA-N 1 0 392.507 3.585 20 30 GHEDRO C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121597326 934711514 /nfs/dbraw/zinc/71/15/14/934711514.db2.gz CKQBWYJWDFALDC-HXUWFJFHSA-N 1 0 390.535 3.509 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001121628720 934719475 /nfs/dbraw/zinc/71/94/75/934719475.db2.gz IKQGIOWHOVELHD-UXHICEINSA-N 1 0 385.556 3.549 20 30 GHEDRO C=CCn1c([C@H](C)SC)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001121656389 934729272 /nfs/dbraw/zinc/72/92/72/934729272.db2.gz QLJGNMDZLGPALL-ZDUSSCGKSA-N 1 0 391.507 3.741 20 30 GHEDRO FC1(F)C[C@@]2(CCN(CC[N@@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)C2)C1(F)F ZINC000931912374 934762643 /nfs/dbraw/zinc/76/26/43/934762643.db2.gz BMGUHPCZIKIJBX-TXEJJXNPSA-N 1 0 392.334 3.719 20 30 GHEDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000932170485 934839442 /nfs/dbraw/zinc/83/94/42/934839442.db2.gz ZQVWPTQSNDXQJC-DLBZAZTESA-N 1 0 378.476 3.503 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001122541269 934894422 /nfs/dbraw/zinc/89/44/22/934894422.db2.gz NZCQCXIGMKGZJO-YRXWBPOGSA-N 1 0 389.588 3.692 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(C3(C#N)CCCC3)n2Cc2cccs2)CC1 ZINC001123006979 935054264 /nfs/dbraw/zinc/05/42/64/935054264.db2.gz WUSAOOWZYPPDJI-UHFFFAOYSA-N 1 0 398.580 3.644 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC001125162909 935538627 /nfs/dbraw/zinc/53/86/27/935538627.db2.gz NEVOSHCJORIDDD-HXUWFJFHSA-N 1 0 377.513 3.803 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(Br)c1 ZINC001137636571 935651682 /nfs/dbraw/zinc/65/16/82/935651682.db2.gz DAKJECQUCKAKRT-KRWDZBQOSA-N 1 0 390.325 3.545 20 30 GHEDRO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1C#N ZINC001137706162 935735637 /nfs/dbraw/zinc/73/56/37/935735637.db2.gz QAVRAYSYIHXCNU-VXKWHMMOSA-N 1 0 378.472 3.878 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3scnc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001137818684 935806558 /nfs/dbraw/zinc/80/65/58/935806558.db2.gz SXEUGVNZLMGPHU-UZLBHIALSA-N 1 0 387.936 3.801 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)cc1 ZINC001137901156 935855431 /nfs/dbraw/zinc/85/54/31/935855431.db2.gz QJQGQCYUOXXPCL-XMMPIXPASA-N 1 0 388.515 3.961 20 30 GHEDRO N#CC(CC[N@H+]1CC[C@H](CN2CCOC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000830125093 935902502 /nfs/dbraw/zinc/90/25/02/935902502.db2.gz VOPBZTIZVCBNDP-FQEVSTJZSA-N 1 0 389.499 3.660 20 30 GHEDRO N#Cc1ccc(OCCNc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)cc1 ZINC001171485459 1014965496 /nfs/dbraw/zinc/96/54/96/1014965496.db2.gz OSZLXVVBJITXHD-UHFFFAOYSA-N 1 0 388.393 3.840 20 30 GHEDRO CC(C)(C)[C@]1(C[NH+]2CCC(C#N)(C(=O)[O-])CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001589726758 987913213 /nfs/dbraw/zinc/91/32/13/987913213.db2.gz PFCFIRUJTOOOAM-QHCPKHFHSA-N 1 0 383.536 3.615 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000468370526 1015637218 /nfs/dbraw/zinc/63/72/18/1015637218.db2.gz AKNJBRXNHBFXJY-APWZRJJASA-N 1 0 397.494 3.904 20 30 GHEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000468391998 1015659796 /nfs/dbraw/zinc/65/97/96/1015659796.db2.gz IOCHOXXPYXVSMV-SFHVURJKSA-N 1 0 381.495 3.856 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)n2)c1 ZINC000545259352 1015714379 /nfs/dbraw/zinc/71/43/79/1015714379.db2.gz UUSLATUWGRCMJT-UHFFFAOYSA-N 1 0 385.471 3.982 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000468468026 1015730420 /nfs/dbraw/zinc/73/04/20/1015730420.db2.gz OQLCCPHWERLTOG-FQEVSTJZSA-N 1 0 381.476 3.580 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000545296148 1015750650 /nfs/dbraw/zinc/75/06/50/1015750650.db2.gz SIPQXQBABQSHDH-XLIONFOSSA-N 1 0 392.503 3.989 20 30 GHEDRO COC(=O)[C@@H](N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)c1cccc(C#N)c1 ZINC000468797099 1016042319 /nfs/dbraw/zinc/04/23/19/1016042319.db2.gz BTJFRKKJQWSXDC-YADHBBJMSA-N 1 0 379.504 3.519 20 30 GHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cccc21 ZINC000468918747 1016217264 /nfs/dbraw/zinc/21/72/64/1016217264.db2.gz GRAZTFFNBUZEPW-LJQANCHMSA-N 1 0 388.427 3.851 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000468992262 1016314288 /nfs/dbraw/zinc/31/42/88/1016314288.db2.gz PGQKSXDVHXLHDN-UHFFFAOYSA-N 1 0 388.515 3.997 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)Cc1ccncc1 ZINC000925223269 1017050183 /nfs/dbraw/zinc/05/01/83/1017050183.db2.gz BNPNHBXJBHLTGJ-ZWKOTPCHSA-N 1 0 386.540 3.922 20 30 GHEDRO N#Cc1ccc2[nH]c(C(=O)N[C@H](c3ccc(F)cc3)C3CC[NH2+]CC3)cc2c1 ZINC001221045308 1032251914 /nfs/dbraw/zinc/25/19/14/1032251914.db2.gz DOIFXBFOTQMKRN-OAQYLSRUSA-N 1 0 376.435 3.649 20 30 GHEDRO N#Cc1c(N[C@@H]2CCCC[C@H]2OCc2ccccc2)ncc2c1CCC[NH2+]C2 ZINC001154718369 1032253496 /nfs/dbraw/zinc/25/34/96/1032253496.db2.gz GCQMBNSQQQBFOU-FGZHOGPDSA-N 1 0 376.504 3.929 20 30 GHEDRO O=C(NO)c1cc(Cl)ccc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001227176648 1032308990 /nfs/dbraw/zinc/30/89/90/1032308990.db2.gz KVBFJCRKUFKKSE-HNNXBMFYSA-N 1 0 381.259 3.766 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)CC1 ZINC001221203847 1032329519 /nfs/dbraw/zinc/32/95/19/1032329519.db2.gz CJYVFVWYKFABPL-QFIPXVFZSA-N 1 0 391.490 3.976 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC001221359962 1032385201 /nfs/dbraw/zinc/38/52/01/1032385201.db2.gz BXZQGQFMKACFKD-VIZSFHNOSA-N 1 0 389.499 3.941 20 30 GHEDRO C#C[C@@H](C)Oc1c(Cl)cc(Cl)c(OC)c1C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001227355372 1032386961 /nfs/dbraw/zinc/38/69/61/1032386961.db2.gz JXOIEVBUQVTMGX-OLZOCXBDSA-N 1 0 399.318 3.617 20 30 GHEDRO N#Cc1cc2ccc(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)cc2oc1=O ZINC001227383428 1032398135 /nfs/dbraw/zinc/39/81/35/1032398135.db2.gz QDPFMOMQYPXOGO-STZQEDGTSA-N 1 0 386.451 3.954 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC(CC)([NH+]3CCC3)CC2)cc1OC ZINC001155713597 1032654756 /nfs/dbraw/zinc/65/47/56/1032654756.db2.gz KVCZHXKCUQOHNL-CSKARUKUSA-N 1 0 384.520 3.750 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000558450924 1017205751 /nfs/dbraw/zinc/20/57/51/1017205751.db2.gz YIMBYANNVREYRR-IKGGRYGDSA-N 1 0 387.503 3.662 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(-n2ccnn2)c1 ZINC000561355082 1017849985 /nfs/dbraw/zinc/84/99/85/1017849985.db2.gz YTKFKMBFLMFSFL-APWZRJJASA-N 1 0 390.466 3.598 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)n1 ZINC000932424471 1018292076 /nfs/dbraw/zinc/29/20/76/1018292076.db2.gz JHUFKQDSSWBNSE-UHFFFAOYSA-N 1 0 389.503 3.767 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)C2=O)cc1 ZINC000562620199 1018414175 /nfs/dbraw/zinc/41/41/75/1018414175.db2.gz QLEIWKMMDVXFTQ-REWPJTCUSA-N 1 0 399.498 3.568 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(c3nc(-c4ccncc4)cs3)CC2)CCC1 ZINC000932556744 1018452890 /nfs/dbraw/zinc/45/28/90/1018452890.db2.gz SYXXXNXYXZRJAJ-GOSISDBHSA-N 1 0 382.533 3.829 20 30 GHEDRO N#Cc1ccc(-n2nccc2NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC000932743610 1018627212 /nfs/dbraw/zinc/62/72/12/1018627212.db2.gz XJILBLUHLCFLTI-UHFFFAOYSA-N 1 0 375.432 3.575 20 30 GHEDRO CCn1cc(CC[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000932951516 1018781678 /nfs/dbraw/zinc/78/16/78/1018781678.db2.gz XAOIDRBVLMYBRZ-GHMZBOCLSA-N 1 0 391.306 3.548 20 30 GHEDRO N#Cc1ccc(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1F ZINC000564494208 1019082409 /nfs/dbraw/zinc/08/24/09/1019082409.db2.gz CWUQXJMMTGBINP-UHFFFAOYSA-N 1 0 396.466 3.536 20 30 GHEDRO N#Cc1ccccc1CN1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001204367960 1032808426 /nfs/dbraw/zinc/80/84/26/1032808426.db2.gz GYWMKECWJDYWQY-KRWDZBQOSA-N 1 0 397.276 3.542 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc(OC)c1O ZINC000567429579 1019295243 /nfs/dbraw/zinc/29/52/43/1019295243.db2.gz UENREDLLTNVLPA-QHCPKHFHSA-N 1 0 385.479 3.696 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cn(C(C)=O)c3ccccc13)C2 ZINC001204409281 1032834819 /nfs/dbraw/zinc/83/48/19/1032834819.db2.gz QNTBJEMOVCECCT-PKTZIBPZSA-N 1 0 382.504 3.875 20 30 GHEDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000570222972 1019572155 /nfs/dbraw/zinc/57/21/55/1019572155.db2.gz JSCOAXGZJYEVGP-PKTZIBPZSA-N 1 0 389.499 3.725 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000571334734 1019674270 /nfs/dbraw/zinc/67/42/70/1019674270.db2.gz SYHJNSQUTRCOOO-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2=O)cc1 ZINC000571576888 1019687262 /nfs/dbraw/zinc/68/72/62/1019687262.db2.gz LTMZATTWFUEFSR-LJQANCHMSA-N 1 0 387.405 3.776 20 30 GHEDRO C[C@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Br)cc1 ZINC000573466673 1019831340 /nfs/dbraw/zinc/83/13/40/1019831340.db2.gz ZRUSPBGLUNHPRF-AWEZNQCLSA-N 1 0 398.304 3.777 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000576964956 1020097381 /nfs/dbraw/zinc/09/73/81/1020097381.db2.gz GXKGHIZLAKPPRK-UHFFFAOYSA-N 1 0 391.519 3.531 20 30 GHEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000601164218 1020298694 /nfs/dbraw/zinc/29/86/94/1020298694.db2.gz QBANDKBILDJYGU-QGZVFWFLSA-N 1 0 386.517 3.666 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000578059410 1020314404 /nfs/dbraw/zinc/31/44/04/1020314404.db2.gz NRZVXCUWSQCISE-LJQANCHMSA-N 1 0 385.558 3.791 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(CC#N)cc1 ZINC001277292657 1032903686 /nfs/dbraw/zinc/90/36/86/1032903686.db2.gz AFRCXUNWAURVBX-IBGZPJMESA-N 1 0 391.515 3.936 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3cc(Br)ccc3C#N)c2)CC1 ZINC001204537967 1032957471 /nfs/dbraw/zinc/95/74/71/1032957471.db2.gz QJMKDJYTVPMNOE-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO CC[C@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)Oc1ccccc1Cl ZINC000304751172 1021154508 /nfs/dbraw/zinc/15/45/08/1021154508.db2.gz XIUXWGNCRWBFLK-OAHLLOKOSA-N 1 0 391.899 3.619 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCc3ccccc3OC2)ccc1Cl ZINC000801572977 1021413488 /nfs/dbraw/zinc/41/34/88/1021413488.db2.gz KICLMZWLKGGTFD-SFHVURJKSA-N 1 0 397.906 3.879 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4cncnc4)cc3)C2)C1 ZINC001140349621 1021468931 /nfs/dbraw/zinc/46/89/31/1021468931.db2.gz FFAQADSSQHGAPQ-QHCPKHFHSA-N 1 0 392.503 3.754 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001140351760 1021473379 /nfs/dbraw/zinc/47/33/79/1021473379.db2.gz DSFCYVQSRGIZLN-PKTZIBPZSA-N 1 0 379.504 3.717 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCOC12CCCC2 ZINC000903388074 1021598043 /nfs/dbraw/zinc/59/80/43/1021598043.db2.gz JOQRNOSOJWTGNY-MSOLQXFVSA-N 1 0 391.556 3.997 20 30 GHEDRO C[N@@H+]1CCN(Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CC1(C)C ZINC001140439617 1021711088 /nfs/dbraw/zinc/71/10/88/1021711088.db2.gz JOFJYJNPGWMIDU-UHFFFAOYSA-N 1 0 382.508 3.822 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000749154194 1021760883 /nfs/dbraw/zinc/76/08/83/1021760883.db2.gz WHDKYMRKYNIVJD-UHFFFAOYSA-N 1 0 385.439 3.565 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)cc(OC)c1)CC2 ZINC001140477439 1021773582 /nfs/dbraw/zinc/77/35/82/1021773582.db2.gz FAVAXQXGQBNSFJ-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc3ccc(C)cn13)CC2 ZINC001137303664 1021851344 /nfs/dbraw/zinc/85/13/44/1021851344.db2.gz LEHOHPIDZVGSIN-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO C=CCCCC[N@@H+](C)Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1 ZINC001140571352 1021989477 /nfs/dbraw/zinc/98/94/77/1021989477.db2.gz BNILINPGHBVPDX-UHFFFAOYSA-N 1 0 380.945 3.969 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2cc(C#N)ccc2Cl)CCC[C@]12CCC(=O)N2CCOC ZINC001140599055 1022042715 /nfs/dbraw/zinc/04/27/15/1022042715.db2.gz OBANQMQTRGFLQD-FPOVZHCZSA-N 1 0 389.927 3.594 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc4ccncc43)CC2)cc1 ZINC001140648584 1022153077 /nfs/dbraw/zinc/15/30/77/1022153077.db2.gz GJSOEOUFGKENKT-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc(C)c1O ZINC001140655848 1022183750 /nfs/dbraw/zinc/18/37/50/1022183750.db2.gz AUTKELKPJGSYFN-QHCPKHFHSA-N 1 0 375.472 3.510 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)c2cc3cc(C#N)ccc3[nH]2)CC1 ZINC001156456924 1033041392 /nfs/dbraw/zinc/04/13/92/1033041392.db2.gz LDKRQGZWXYFPHZ-UHFFFAOYSA-N 1 0 390.462 3.915 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2nccc3ccc(C#N)cc32)C1 ZINC001156466601 1033048267 /nfs/dbraw/zinc/04/82/67/1033048267.db2.gz RNWKRYAABXSUBI-LJQANCHMSA-N 1 0 382.584 3.977 20 30 GHEDRO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752651 1022434365 /nfs/dbraw/zinc/43/43/65/1022434365.db2.gz NDOKMBSXQFVWEF-UONOGXRCSA-N 1 0 379.451 3.962 20 30 GHEDRO N#Cc1c(F)cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001140757609 1022447529 /nfs/dbraw/zinc/44/75/29/1022447529.db2.gz NBMBISCTSXVVRO-UHFFFAOYSA-N 1 0 382.458 3.720 20 30 GHEDRO COc1ccc(C(C)(C)C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OC ZINC001204744935 1033059470 /nfs/dbraw/zinc/05/94/70/1033059470.db2.gz ZUZMBCPPVJAHLG-UHFFFAOYSA-N 1 0 397.494 3.814 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1O ZINC000754724213 1022858985 /nfs/dbraw/zinc/85/89/85/1022858985.db2.gz ZTZJRVGAUWJREI-UHFFFAOYSA-N 1 0 377.488 3.713 20 30 GHEDRO CCOc1ccc(/C=N\[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c(O)c1 ZINC000755031708 1023032935 /nfs/dbraw/zinc/03/29/35/1023032935.db2.gz MLRGPWQGULHWOU-VLZFXTDASA-N 1 0 384.476 3.502 20 30 GHEDRO CC(C)c1nc(C#N)c(N=NC2CC3(CC[NH+](C)CC3)Oc3ccccc32)o1 ZINC000755672593 1023332283 /nfs/dbraw/zinc/33/22/83/1023332283.db2.gz BHAMUMJRONTQTG-UHFFFAOYSA-N 1 0 379.464 3.733 20 30 GHEDRO N#Cc1c(N)sc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1Cl ZINC001141109850 1023522909 /nfs/dbraw/zinc/52/29/09/1023522909.db2.gz VJUIAXNGXOQGFD-KRWDZBQOSA-N 1 0 392.937 3.546 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1)C(=O)OC(C)(C)C ZINC001141112496 1023528379 /nfs/dbraw/zinc/52/83/79/1023528379.db2.gz CSFGMMDVQXGNHW-LLVKDONJSA-N 1 0 384.933 3.544 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@H]21 ZINC001141113856 1023530341 /nfs/dbraw/zinc/53/03/41/1023530341.db2.gz UETCBIAUZIJCAM-CYZMBNFOSA-N 1 0 396.944 3.590 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(F)(F)F)C1 ZINC000837017649 1023565092 /nfs/dbraw/zinc/56/50/92/1023565092.db2.gz CDUDXNTXLMJXNM-MISXGVKJSA-N 1 0 392.359 3.931 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1C#N ZINC000756613615 1023738573 /nfs/dbraw/zinc/73/85/73/1023738573.db2.gz KXRCZZZPUZHGSN-RXVVDRJESA-N 1 0 382.435 3.572 20 30 GHEDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)c(Cl)cc3C#N)cc2)CC1 ZINC001156656113 1033159370 /nfs/dbraw/zinc/15/93/70/1033159370.db2.gz OZNRPKIPFCSMMG-UHFFFAOYSA-N 1 0 376.291 3.624 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc3c1OC(F)(F)O3)CC2 ZINC001138067125 1023981168 /nfs/dbraw/zinc/98/11/68/1023981168.db2.gz XJVOKGZLGNUXCA-IBGZPJMESA-N 1 0 378.419 3.541 20 30 GHEDRO N#Cc1cc(F)ccc1C[NH+]1CCC2(CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001141166207 1023996341 /nfs/dbraw/zinc/99/63/41/1023996341.db2.gz ZITUIMICBLFGHP-UHFFFAOYSA-N 1 0 392.478 3.611 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)CC2)nc1 ZINC001141207918 1024133854 /nfs/dbraw/zinc/13/38/54/1024133854.db2.gz UPZKGWVGSXWZFG-UHFFFAOYSA-N 1 0 387.462 3.867 20 30 GHEDRO CCc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001141224574 1024194329 /nfs/dbraw/zinc/19/43/29/1024194329.db2.gz CPTRUVPRUZADRJ-DEOSSOPVSA-N 1 0 390.531 3.635 20 30 GHEDRO CN1CC2(CC1=O)CC[NH+](Cc1ccc(Oc3ccc(C#N)cc3)cc1)CC2 ZINC001141295356 1024432201 /nfs/dbraw/zinc/43/22/01/1024432201.db2.gz BUYXGKCZRNPLOY-UHFFFAOYSA-N 1 0 375.472 3.795 20 30 GHEDRO C=CC[C@@]1(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCN1C(=O)OC(C)(C)C ZINC001141298911 1024448717 /nfs/dbraw/zinc/44/87/17/1024448717.db2.gz NAXSJAJQRDNUKP-QFIPXVFZSA-N 1 0 393.572 3.758 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cc1OC ZINC001138341340 1024702256 /nfs/dbraw/zinc/70/22/56/1024702256.db2.gz NGVAWPLVNCXQKN-UHFFFAOYSA-N 1 0 385.891 3.844 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)cc1OC ZINC001138341979 1024704398 /nfs/dbraw/zinc/70/43/98/1024704398.db2.gz WTEIGBBMDHGTDW-JOCHJYFZSA-N 1 0 388.508 3.586 20 30 GHEDRO C#CCOc1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138346592 1024709099 /nfs/dbraw/zinc/70/90/99/1024709099.db2.gz IPLZSGORXNGPFB-DHIUTWEWSA-N 1 0 390.527 3.661 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccncc1NC(=O)C(C)(C)C)C2 ZINC001138454636 1024878959 /nfs/dbraw/zinc/87/89/59/1024878959.db2.gz WSOGWLYCMTWJDF-HSZRJFAPSA-N 1 0 398.551 3.599 20 30 GHEDRO CCCCCCC[N@H+](C)Cc1ccc(OCCN2CCOCC2)c(OC)c1 ZINC001138533912 1024974392 /nfs/dbraw/zinc/97/43/92/1024974392.db2.gz UBCWCQSBTWFZAA-UHFFFAOYSA-N 1 0 378.557 3.808 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1 ZINC001138559546 1025021891 /nfs/dbraw/zinc/02/18/91/1025021891.db2.gz OMIJTPWFXRDHRE-QHCPKHFHSA-N 1 0 394.540 3.888 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001138586281 1025067814 /nfs/dbraw/zinc/06/78/14/1025067814.db2.gz GSJUGVMKAPWWFT-LJQANCHMSA-N 1 0 390.487 3.902 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138623364 1025121268 /nfs/dbraw/zinc/12/12/68/1025121268.db2.gz YBMXZZUMYPAIEE-IFMALSPDSA-N 1 0 381.476 3.595 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)c1O ZINC001138627909 1025128567 /nfs/dbraw/zinc/12/85/67/1025128567.db2.gz PSSHGVRXPDCYMO-UHFFFAOYSA-N 1 0 390.527 3.918 20 30 GHEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001138660889 1025178883 /nfs/dbraw/zinc/17/88/83/1025178883.db2.gz GQYMANBAMHIBQF-QHCPKHFHSA-N 1 0 378.520 3.924 20 30 GHEDRO C=C(C)COc1ccccc1CN1Cc2nn(CC3CC3)cc2[C@H](COC)C1 ZINC001138661817 1025180880 /nfs/dbraw/zinc/18/08/80/1025180880.db2.gz HBSWEERESLPTHO-FQEVSTJZSA-N 1 0 381.520 3.994 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnn(Cc3ccccc3)c1)[C@H]2CC ZINC001138764853 1025327988 /nfs/dbraw/zinc/32/79/88/1025327988.db2.gz CUNCNGBVDBHDBV-UPVQGACJSA-N 1 0 392.547 3.853 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnc(N(CC)CC)s1)C2 ZINC001138801111 1025389044 /nfs/dbraw/zinc/38/90/44/1025389044.db2.gz LUVDLVABSXUVLB-ICSRJNTNSA-N 1 0 379.570 3.563 20 30 GHEDRO COc1nc(NCC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)c(F)cc1C#N ZINC001161992477 1025526556 /nfs/dbraw/zinc/52/65/56/1025526556.db2.gz UXZQJGHFVSZLJZ-UHFFFAOYSA-N 1 0 388.874 3.779 20 30 GHEDRO COc1cccc(C2(Nc3nc(-c4ccncc4)ccc3C#N)CC[NH2+]CC2)c1 ZINC001161996649 1025529234 /nfs/dbraw/zinc/52/92/34/1025529234.db2.gz PUVYOBSFQYQJMH-UHFFFAOYSA-N 1 0 385.471 3.715 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnc4[nH]ccc4c3Cl)C2)C1 ZINC001138930343 1025599495 /nfs/dbraw/zinc/59/94/95/1025599495.db2.gz ZVPZBYWECPKGJD-HXUWFJFHSA-N 1 0 388.899 3.778 20 30 GHEDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 ZINC001162461293 1025755314 /nfs/dbraw/zinc/75/53/14/1025755314.db2.gz OHLYEYDCIFEPBM-RTBURBONSA-N 1 0 391.519 3.690 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)C1 ZINC001139071844 1025874070 /nfs/dbraw/zinc/87/40/70/1025874070.db2.gz BROGCOVNZVRSKL-FQEVSTJZSA-N 1 0 392.883 3.679 20 30 GHEDRO N#Cc1c2c(cnc1NCc1ccc3c(c1)CC[NH2+]C3)CCN2Cc1ccccc1 ZINC001162803169 1025922111 /nfs/dbraw/zinc/92/21/11/1025922111.db2.gz RUJHBVAVEMQEOZ-UHFFFAOYSA-N 1 0 395.510 3.774 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC001163025097 1026011435 /nfs/dbraw/zinc/01/14/35/1026011435.db2.gz AHPUHKWHCNLWQJ-UHFFFAOYSA-N 1 0 390.409 3.845 20 30 GHEDRO Cc1cccc2[nH]cc(C[N@@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c21 ZINC001139196994 1026036114 /nfs/dbraw/zinc/03/61/14/1026036114.db2.gz AACYVJWBUIYTBI-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nc(-c3cccs3)ccc2C#N)cc1 ZINC001163465083 1026204154 /nfs/dbraw/zinc/20/41/54/1026204154.db2.gz CZRWEYWQTYQTLX-INIZCTEOSA-N 1 0 378.457 3.580 20 30 GHEDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139401710 1026273335 /nfs/dbraw/zinc/27/33/35/1026273335.db2.gz FTOYOOGYRQWFRF-UHFFFAOYSA-N 1 0 380.492 3.967 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CC[C@@]4(C3)c3ccccc3NC4=O)cc2)c1 ZINC001139402993 1026274119 /nfs/dbraw/zinc/27/41/19/1026274119.db2.gz DJSUKWDFAAEUJK-XMMPIXPASA-N 1 0 380.451 3.716 20 30 GHEDRO CCOC(=O)c1cc2[nH]c(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)ccc-2n1 ZINC001163678179 1026279757 /nfs/dbraw/zinc/27/97/57/1026279757.db2.gz BJAOGBAYOPASJW-UHFFFAOYSA-N 1 0 376.338 3.795 20 30 GHEDRO COCOc1cnc(NC(=N)c2ccc(C(F)(F)F)cc2)cc1C=C[NH+](C)C ZINC001163679687 1026280665 /nfs/dbraw/zinc/28/06/65/1026280665.db2.gz DAALQAZRNYFMHY-CMDGGOBGSA-N 1 0 394.397 3.652 20 30 GHEDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)CC2 ZINC001139423159 1026293792 /nfs/dbraw/zinc/29/37/92/1026293792.db2.gz DUYSHLGYNVFREQ-UHFFFAOYSA-N 1 0 385.471 3.699 20 30 GHEDRO Cc1cc([NH+]=C(NO)c2ccc(OC(F)(F)F)cc2)ccc1N1CCOCC1 ZINC001163769137 1026310170 /nfs/dbraw/zinc/31/01/70/1026310170.db2.gz PRRMBAQADJGQRT-UHFFFAOYSA-N 1 0 395.381 3.787 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c3ccccc3[nH]c1C(=O)OCC)C2 ZINC001139464072 1026330097 /nfs/dbraw/zinc/33/00/97/1026330097.db2.gz JWQYIAVEACHYJG-UZUQRXQVSA-N 1 0 398.503 3.671 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c2ccccc21 ZINC001139528968 1026388098 /nfs/dbraw/zinc/38/80/98/1026388098.db2.gz ZUCOATMNRBBGEZ-LJQANCHMSA-N 1 0 391.490 3.855 20 30 GHEDRO Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c[nH]c5c4cccc5C#N)C3)CC2=O)c1 ZINC001139705029 1026549565 /nfs/dbraw/zinc/54/95/65/1026549565.db2.gz JYRIHUNKOLOKOE-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001139704841 1026550125 /nfs/dbraw/zinc/55/01/25/1026550125.db2.gz ZEDKKQMZUHUNLL-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c[nH]c5c4cccc5C#N)C3)CC2=O)c1 ZINC001139705619 1026551341 /nfs/dbraw/zinc/55/13/41/1026551341.db2.gz VTOMNIDYUCJMIV-DEOSSOPVSA-N 1 0 395.466 3.540 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@@H](Oc4cc(C(F)(F)F)ncn4)C3)c[nH]c21 ZINC001139707562 1026552166 /nfs/dbraw/zinc/55/21/66/1026552166.db2.gz KDARVRMMRLDUFP-CQSZACIVSA-N 1 0 387.365 3.502 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H]2CSc3ccccc3O2)c(-c2ccc(C#N)cc2)n1 ZINC001202963593 1026559675 /nfs/dbraw/zinc/55/96/75/1026559675.db2.gz CFGQYHCVWDSTKC-GOSISDBHSA-N 1 0 376.485 3.602 20 30 GHEDRO N#Cc1cc(N2CC[NH+](CCc3ccncc3)CC2)nc2ccc(Cl)cc12 ZINC001165059582 1026579921 /nfs/dbraw/zinc/57/99/21/1026579921.db2.gz KXHJARIODQTBDD-UHFFFAOYSA-N 1 0 377.879 3.520 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCn2ccnc2C)cc1OCC ZINC001461119213 1069400135 /nfs/dbraw/zinc/40/01/35/1069400135.db2.gz MBKGFFJACFGUTP-UHFFFAOYSA-N 1 0 394.313 3.707 20 30 GHEDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC001165109668 1026612122 /nfs/dbraw/zinc/61/21/22/1026612122.db2.gz OXFXPNRXENTBFF-HXUWFJFHSA-N 1 0 382.552 3.647 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]([NH3+])C(F)(F)C3)cnc2Cl)c1 ZINC001165130446 1026623493 /nfs/dbraw/zinc/62/34/93/1026623493.db2.gz PHEIJPDOXOAJHU-HNNXBMFYSA-N 1 0 398.791 3.991 20 30 GHEDRO C[N@H+]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C[C@H]2C1 ZINC001165147429 1026634366 /nfs/dbraw/zinc/63/43/66/1026634366.db2.gz DTEDNTTYSWQOIV-IYBDPMFKSA-N 1 0 388.849 3.816 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001139877253 1026693138 /nfs/dbraw/zinc/69/31/38/1026693138.db2.gz CRXUZJYLFVEMQL-UHFFFAOYSA-N 1 0 385.508 3.626 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001165433746 1026726891 /nfs/dbraw/zinc/72/68/91/1026726891.db2.gz KHZCQLHISPURNN-CABZTGNLSA-N 1 0 380.801 3.551 20 30 GHEDRO Cc1nc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1CC#N ZINC001165481519 1026743509 /nfs/dbraw/zinc/74/35/09/1026743509.db2.gz QGOXJXWDMHKGAP-IRLDBZIGSA-N 1 0 380.467 3.644 20 30 GHEDRO Cc1cnc(N(c2ncnc3c2CC[NH2+]CC3)C(C)C)c(C#C[Si](C)(C)C)c1 ZINC001165510532 1026749017 /nfs/dbraw/zinc/74/90/17/1026749017.db2.gz KITJFXXEPCMWLI-UHFFFAOYSA-N 1 0 393.611 3.644 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C)cc2/C=N/O)CC3)cs1 ZINC001165591097 1026769958 /nfs/dbraw/zinc/76/99/58/1026769958.db2.gz TXEBCFRJQCSGAP-WSDLNYQXSA-N 1 0 385.537 3.598 20 30 GHEDRO CC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001140117131 1026898470 /nfs/dbraw/zinc/89/84/70/1026898470.db2.gz LXTVBHVSPUQCNK-JOCHJYFZSA-N 1 0 388.515 3.762 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140136705 1026910296 /nfs/dbraw/zinc/91/02/96/1026910296.db2.gz KPLFEJRIFGQWRU-QPPBQGQZSA-N 1 0 389.474 3.701 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC001140137641 1026911231 /nfs/dbraw/zinc/91/12/31/1026911231.db2.gz QPRWVWDDNABGFU-AVCGJXAMSA-N 1 0 378.495 3.825 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cn4cccc(C)c4n3)CC2)C1 ZINC001209733485 1027126954 /nfs/dbraw/zinc/12/69/54/1027126954.db2.gz NJUXYJLCWUAZHP-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO CC[NH+](CC)CCn1cc(Nc2ccc(Br)c(OC)c2C#N)cn1 ZINC001203263462 1027252820 /nfs/dbraw/zinc/25/28/20/1027252820.db2.gz GJPNJTBWBKSCGJ-UHFFFAOYSA-N 1 0 392.301 3.611 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000840179213 1027315386 /nfs/dbraw/zinc/31/53/86/1027315386.db2.gz XWCCHAMZHBVILU-QHCPKHFHSA-N 1 0 379.456 3.739 20 30 GHEDRO COc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001203432480 1027334629 /nfs/dbraw/zinc/33/46/29/1027334629.db2.gz VGTNJYLSTKMVFC-XMMPIXPASA-N 1 0 391.515 3.686 20 30 GHEDRO COc1cccc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2OC)c1C#N ZINC001210127568 1027349611 /nfs/dbraw/zinc/34/96/11/1027349611.db2.gz CJDOZGXAABZACG-UHFFFAOYSA-N 1 0 380.492 3.849 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC001203541247 1027418766 /nfs/dbraw/zinc/41/87/66/1027418766.db2.gz VBWPSKQLVGOSAZ-OAQYLSRUSA-N 1 0 395.503 3.910 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC001203639799 1027499134 /nfs/dbraw/zinc/49/91/34/1027499134.db2.gz KSZHKYINAJLGDY-MOPGFXCFSA-N 1 0 396.325 3.728 20 30 GHEDRO COc1ccc(Nc2cc(C#N)ccc2C)cc1OCCCN1CC[NH+](C)CC1 ZINC001210505792 1027538336 /nfs/dbraw/zinc/53/83/36/1027538336.db2.gz VOJRRYAGQMYYIS-UHFFFAOYSA-N 1 0 394.519 3.635 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)c1 ZINC001203760829 1027583428 /nfs/dbraw/zinc/58/34/28/1027583428.db2.gz PHGXLOMHDDUEQS-RBBKRZOGSA-N 1 0 381.451 3.542 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001203762358 1027584438 /nfs/dbraw/zinc/58/44/38/1027584438.db2.gz OVSPNNMGAJFDHM-QHCPKHFHSA-N 1 0 377.463 3.712 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccc(Br)c1)CC2 ZINC001203765321 1027587491 /nfs/dbraw/zinc/58/74/91/1027587491.db2.gz NCWVZRIWMJHVTG-LJQANCHMSA-N 1 0 377.326 3.982 20 30 GHEDRO COc1cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)ccc1OC(C)=O ZINC001203831067 1027640303 /nfs/dbraw/zinc/64/03/03/1027640303.db2.gz WZPSQKINFSISBY-UHFFFAOYSA-N 1 0 380.444 3.536 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(C#N)c(SC)n2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001141934807 1027700336 /nfs/dbraw/zinc/70/03/36/1027700336.db2.gz YXABRWCDZAQWBW-UGKGYDQZSA-N 1 0 398.576 3.821 20 30 GHEDRO CC[N@H+](Cc1ccc(C#N)c(SC)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141944130 1027722906 /nfs/dbraw/zinc/72/29/06/1027722906.db2.gz YXONRKNFLUFFGM-KRWDZBQOSA-N 1 0 390.553 3.897 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001210971513 1027729129 /nfs/dbraw/zinc/72/91/29/1027729129.db2.gz VTKFYCDJBGQSHR-YHBROIRLSA-N 1 0 385.552 3.697 20 30 GHEDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(C#Cc3ccccc3)s1)CC2 ZINC001141975735 1027788497 /nfs/dbraw/zinc/78/84/97/1027788497.db2.gz IDBOLMQXOITVSM-OAQYLSRUSA-N 1 0 378.541 3.838 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(C)onc3-c3ccccc3)C2)CC1 ZINC001141979336 1027797246 /nfs/dbraw/zinc/79/72/46/1027797246.db2.gz REHUYKHOBIXJEA-UHFFFAOYSA-N 1 0 381.476 3.870 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000840759433 1027797418 /nfs/dbraw/zinc/79/74/18/1027797418.db2.gz MBXXGRAQBAKACH-ZDUSSCGKSA-N 1 0 375.394 3.663 20 30 GHEDRO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2ccc(C[NH2+]C)cc2)c1 ZINC001211134245 1027802783 /nfs/dbraw/zinc/80/27/83/1027802783.db2.gz GDNYSAQJYZGZTF-RUMRUAAYSA-N 1 0 389.499 3.598 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2ccc(I)c(F)c2C#N)c1 ZINC001211140454 1027806544 /nfs/dbraw/zinc/80/65/44/1027806544.db2.gz JNQUQOYJHDGLIY-UHFFFAOYSA-N 1 0 381.192 3.765 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccnc5ccccc45)C3)CC2=O)c1 ZINC001204087491 1027865358 /nfs/dbraw/zinc/86/53/58/1027865358.db2.gz PFXCKKNFWUIHPI-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(Br)cc1 ZINC001211287597 1027890791 /nfs/dbraw/zinc/89/07/91/1027890791.db2.gz WJJJLTCSKOIPIQ-RKVPGOIHSA-N 1 0 392.341 3.543 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001142065516 1028009758 /nfs/dbraw/zinc/00/97/58/1028009758.db2.gz NTHNKRAKXADVAD-UXQADRNHSA-N 1 0 386.536 3.900 20 30 GHEDRO Cc1cc(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)c(C#N)cc1N(C)C ZINC000841238231 1028320698 /nfs/dbraw/zinc/32/06/98/1028320698.db2.gz CJAIUBBJBMANFI-FLIBITNWSA-N 1 0 392.503 3.525 20 30 GHEDRO CC(C)Oc1ccc(-c2ccc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c(F)c2)cc1 ZINC000841249657 1028334152 /nfs/dbraw/zinc/33/41/52/1028334152.db2.gz MHMITRMEJUCHAI-UZLBHIALSA-N 1 0 382.439 3.513 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1cc(C#N)ccc1C(F)(F)F ZINC001213899076 1028440603 /nfs/dbraw/zinc/44/06/03/1028440603.db2.gz YIEPKGVGHOKXFP-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000841368211 1028510035 /nfs/dbraw/zinc/51/00/35/1028510035.db2.gz FTNMLTBFHGWCRS-XLIBHFEYSA-N 1 0 389.499 3.706 20 30 GHEDRO COCOc1ccc(Cl)cc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001214424169 1028727275 /nfs/dbraw/zinc/72/72/75/1028727275.db2.gz SXARIZUZSCRGPJ-UHFFFAOYSA-N 1 0 386.883 3.690 20 30 GHEDRO C#CCCOc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC001142379252 1028784500 /nfs/dbraw/zinc/78/45/00/1028784500.db2.gz MVAYCRHCQSWUPO-UHFFFAOYSA-N 1 0 376.500 3.655 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC001142407932 1028828246 /nfs/dbraw/zinc/82/82/46/1028828246.db2.gz PBKUSAUUVNPBKU-ZDUSSCGKSA-N 1 0 377.847 3.823 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC001215188638 1029080479 /nfs/dbraw/zinc/08/04/79/1029080479.db2.gz AEOLQZKURYFJIA-UHFFFAOYSA-N 1 0 376.504 3.820 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)N(CC)C(=O)OC(C)(C)C)cc1OC ZINC001461479613 1069568780 /nfs/dbraw/zinc/56/87/80/1069568780.db2.gz IVBXORSWYHPSBN-MRXNPFEDSA-N 1 0 378.513 3.995 20 30 GHEDRO CCCCCC[C@@H](C)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000842209540 1029149403 /nfs/dbraw/zinc/14/94/03/1029149403.db2.gz ASDIHYOEDWCQAH-HXUWFJFHSA-N 1 0 384.568 3.541 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001215512764 1029248032 /nfs/dbraw/zinc/24/80/32/1029248032.db2.gz VHUZQYKYYIKXAA-QFBILLFUSA-N 1 0 381.451 3.622 20 30 GHEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001215644545 1029324675 /nfs/dbraw/zinc/32/46/75/1029324675.db2.gz ZBQZCTAEDJCOPY-QFIPXVFZSA-N 1 0 391.515 3.661 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)ccc1OC ZINC000842680747 1029486235 /nfs/dbraw/zinc/48/62/35/1029486235.db2.gz XVXDHGTYFQHBBI-SFHVURJKSA-N 1 0 394.475 3.968 20 30 GHEDRO Cc1ccc(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)cc1C#N ZINC001216076001 1029517409 /nfs/dbraw/zinc/51/74/09/1029517409.db2.gz PGJXTFXHHAUEOJ-UHFFFAOYSA-N 1 0 389.547 3.827 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2ccc(CC#N)cc2I)c1F ZINC001216224719 1029573782 /nfs/dbraw/zinc/57/37/82/1029573782.db2.gz MSJSJJNPXZZSSL-UHFFFAOYSA-N 1 0 395.219 3.959 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(Nc4cccc(C#N)c4F)cc3)CC2)CC1 ZINC001216416284 1029632465 /nfs/dbraw/zinc/63/24/65/1029632465.db2.gz PWJHOPYJEJOORZ-UHFFFAOYSA-N 1 0 393.510 3.657 20 30 GHEDRO COC(=O)c1ccc(OC2CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)cc1 ZINC001142920789 1029696136 /nfs/dbraw/zinc/69/61/36/1029696136.db2.gz BVCCPWHSUHZVFF-UHFFFAOYSA-N 1 0 389.455 3.870 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CCC(=O)N4Cc4ccncc4)CC3)c[nH]c2c1 ZINC001142928992 1029710538 /nfs/dbraw/zinc/71/05/38/1029710538.db2.gz RPNRDYOCMROIEN-UHFFFAOYSA-N 1 0 399.498 3.592 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(-c3ccccc3)nn1C)CC2 ZINC001143009122 1029778516 /nfs/dbraw/zinc/77/85/16/1029778516.db2.gz KFTFEWDQRHXSRS-HSZRJFAPSA-N 1 0 378.520 3.620 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001222150747 1029979170 /nfs/dbraw/zinc/97/91/70/1029979170.db2.gz CYSGUYCJLPETAX-RBBKRZOGSA-N 1 0 384.568 3.633 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001149205739 1030091700 /nfs/dbraw/zinc/09/17/00/1030091700.db2.gz NEBYOEBBTUFMLO-DLBZAZTESA-N 1 0 382.426 3.873 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602379 1030228025 /nfs/dbraw/zinc/22/80/25/1030228025.db2.gz OYHIZXQHXLFJMO-IBGZPJMESA-N 1 0 382.305 3.510 20 30 GHEDRO C=CCC1([NH2+]Cc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001461643836 1069655653 /nfs/dbraw/zinc/65/56/53/1069655653.db2.gz GZMYYXPVGQFTBR-KRWDZBQOSA-N 1 0 389.544 3.829 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC001217645496 1030570336 /nfs/dbraw/zinc/57/03/36/1030570336.db2.gz BWQDYGQMUBMSIK-MGPQQGTHSA-N 1 0 393.329 3.809 20 30 GHEDRO Cc1ccc(-c2nnc(-c3cccc(NC(=O)[C@@H]4C[C@H](S)C[NH2+]4)c3)o2)cc1C ZINC001217759913 1030649980 /nfs/dbraw/zinc/64/99/80/1030649980.db2.gz MGRAQMAZVKCGDK-ROUUACIJSA-N 1 0 394.500 3.619 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217952833 1030685816 /nfs/dbraw/zinc/68/58/16/1030685816.db2.gz WAUYMRHYFAKFJB-XOODBQLUSA-N 1 0 397.494 3.789 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001150875364 1030693073 /nfs/dbraw/zinc/69/30/73/1030693073.db2.gz YTDJJIOHYCPYHF-UHFFFAOYSA-N 1 0 378.438 3.924 20 30 GHEDRO COc1cc(O[C@H]2CCCC[NH2+]C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001217973498 1030698950 /nfs/dbraw/zinc/69/89/50/1030698950.db2.gz DLMMBLYMDKKBBK-BXBHGGAKSA-N 1 0 395.455 3.580 20 30 GHEDRO C=CCc1c(O[C@H]2CCC[NH2+]C[C@@H]2C)c2cccnc2n(-c2ccccc2)c1=O ZINC001217992318 1030709850 /nfs/dbraw/zinc/70/98/50/1030709850.db2.gz AHMXSDXKDGBSGI-UWJYYQICSA-N 1 0 389.499 3.881 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC001218027691 1030731557 /nfs/dbraw/zinc/73/15/57/1030731557.db2.gz AJJVSWHIMRHKGJ-PFPXCRETSA-N 1 0 397.471 3.769 20 30 GHEDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1nnc(Cc2ccc(F)c(C#N)c2)c2ccccc21 ZINC001218043502 1030738202 /nfs/dbraw/zinc/73/82/02/1030738202.db2.gz JVHPKXOJCYEVBU-SPLOXXLWSA-N 1 0 376.435 3.608 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001218061242 1030748785 /nfs/dbraw/zinc/74/87/85/1030748785.db2.gz OWFHCZQAQCVUMB-BJSLICBWSA-N 1 0 397.471 3.825 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[NH2+][C@@H](C)C3)c(C#N)c2)nc1C ZINC001218063299 1030751470 /nfs/dbraw/zinc/75/14/70/1030751470.db2.gz YHZYCSARMNQAJD-BLLLJJGKSA-N 1 0 385.489 3.686 20 30 GHEDRO C[NH2+][C@H]1CC[C@H](Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001218190662 1030816069 /nfs/dbraw/zinc/81/60/69/1030816069.db2.gz LHRQMMFVPKGQHT-JDLHSOSDSA-N 1 0 395.455 3.666 20 30 GHEDRO COC(=O)C[C@@H]([NH3+])c1cccc(O[C@H](C)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC001218196289 1030819696 /nfs/dbraw/zinc/81/96/96/1030819696.db2.gz ITWOSSKKKAMLLL-LDYMZIIASA-N 1 0 391.283 3.850 20 30 GHEDRO C[C@H](Oc1cccc(CN2CC[NH2+]CC2)c1)C(F)(F)C(F)(F)C(F)(F)F ZINC001218196784 1030820338 /nfs/dbraw/zinc/82/03/38/1030820338.db2.gz KRRVDISRQDILTN-NSHDSACASA-N 1 0 388.327 3.692 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)nc2c(Br)cccc12 ZINC001218199369 1030821950 /nfs/dbraw/zinc/82/19/50/1030821950.db2.gz FBSNLZVJODYBDJ-UFBFGSQYSA-N 1 0 386.171 3.506 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)nc2ccc(Br)cc21 ZINC001218201242 1030824879 /nfs/dbraw/zinc/82/48/79/1030824879.db2.gz PSLWLDIBYUXVRD-ISVAXAHUSA-N 1 0 386.171 3.506 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)c2cc(Br)ccc2n1 ZINC001218201921 1030824932 /nfs/dbraw/zinc/82/49/32/1030824932.db2.gz WEXOANNZJXMKHS-AMIZOPFISA-N 1 0 386.171 3.506 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(/C=C/C(=O)CCCCc2ccc(O)cc2)cc1 ZINC001218201034 1030826440 /nfs/dbraw/zinc/82/64/40/1030826440.db2.gz JSSFAPJHBWGHLW-OJADISBOSA-N 1 0 390.483 3.878 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)c2ccc(Br)cc2n1 ZINC001218202561 1030828074 /nfs/dbraw/zinc/82/80/74/1030828074.db2.gz MPTZNJWAWCFCGA-ISVAXAHUSA-N 1 0 386.171 3.506 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)occ(-c1ccc([N+](=O)[O-])cc1)c2=O ZINC001218208249 1030830352 /nfs/dbraw/zinc/83/03/52/1030830352.db2.gz ZBKAGXBYMLSSQP-FQEVSTJZSA-N 1 0 378.384 3.665 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(O)c(CCC(=O)c2ccccc2)c(OC)c1C ZINC001218211025 1030833653 /nfs/dbraw/zinc/83/36/53/1030833653.db2.gz OVCYEORDCUGQSE-QFIPXVFZSA-N 1 0 381.472 3.822 20 30 GHEDRO COc1cc(O)cc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c1C(=O)/C=C/c1ccccc1 ZINC001218251235 1030853195 /nfs/dbraw/zinc/85/31/95/1030853195.db2.gz RLFXLPKZOCMBDJ-JVAPAWGVSA-N 1 0 379.456 3.816 20 30 GHEDRO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(O[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218309272 1030883883 /nfs/dbraw/zinc/88/38/83/1030883883.db2.gz PEZVBSCIJBSEJQ-NBZOHKLQSA-N 1 0 393.439 3.768 20 30 GHEDRO C=CCc1c(O[C@H]2CC[C@H](C)[NH2+]C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218408026 1030926069 /nfs/dbraw/zinc/92/60/69/1030926069.db2.gz OTKPFTKRCDWSTE-WMZOPIPTSA-N 1 0 375.472 3.634 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC001218418822 1030931762 /nfs/dbraw/zinc/93/17/62/1030931762.db2.gz WZTXYCYCGVPAHV-CWYMVJMUSA-N 1 0 381.472 3.977 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1OC ZINC001218477566 1030953174 /nfs/dbraw/zinc/95/31/74/1030953174.db2.gz JYCGHKWYDQOLHP-WBEIZKPWSA-N 1 0 395.455 3.577 20 30 GHEDRO N#Cc1cc(I)c(O[C@@H]2C[NH2+]Cc3ccccc32)cc1F ZINC001218492354 1030960479 /nfs/dbraw/zinc/96/04/79/1030960479.db2.gz AEIVBVFDGMTNJB-MRXNPFEDSA-N 1 0 394.187 3.525 20 30 GHEDRO Cc1nc(O[C@@H]2C[NH2+]Cc3ccccc32)c(C#N)cc1-c1ccc2nccn2c1 ZINC001218492008 1030960641 /nfs/dbraw/zinc/96/06/41/1030960641.db2.gz ZMYICNHJMTVFFS-OAQYLSRUSA-N 1 0 381.439 3.800 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001218540699 1030979226 /nfs/dbraw/zinc/97/92/26/1030979226.db2.gz DYSODTQXBXMFST-INIZCTEOSA-N 1 0 380.448 3.637 20 30 GHEDRO N#Cc1c(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218552235 1030984513 /nfs/dbraw/zinc/98/45/13/1030984513.db2.gz OBQUQEOFEXOLAR-LJQANCHMSA-N 1 0 397.438 3.717 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ncc(Br)cc1OC(F)F ZINC001218598989 1031000675 /nfs/dbraw/zinc/00/06/75/1031000675.db2.gz QMGJROCZBJBGAT-NSHDSACASA-N 1 0 392.244 3.848 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)Nc2n[nH]c3cccc(C#N)c32)cc1 ZINC001218656956 1031021545 /nfs/dbraw/zinc/02/15/45/1031021545.db2.gz UZQBEIBWAQPJCQ-INIZCTEOSA-N 1 0 391.475 3.510 20 30 GHEDRO Cc1cccc(C[C@]2(C(=O)Nc3cnc(C#N)c(C(F)(F)F)c3)CCC[NH2+]2)c1 ZINC001218658527 1031022932 /nfs/dbraw/zinc/02/29/32/1031022932.db2.gz FXRGTKUBZBFDBQ-IBGZPJMESA-N 1 0 388.393 3.584 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001218755374 1031067142 /nfs/dbraw/zinc/06/71/42/1031067142.db2.gz JNDIEYSVQRXLPG-FQEVSTJZSA-N 1 0 385.471 3.520 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)c3ccc(CC4CC[NH2+]CC4)cc3)cc2s1 ZINC001218910455 1031147516 /nfs/dbraw/zinc/14/75/16/1031147516.db2.gz LJUCDZSJZHXRED-UHFFFAOYSA-N 1 0 376.485 3.962 20 30 GHEDRO C#CCN1c2ccccc2[C@]2(CCN(Cc3cncc(Cl)c3Cl)C2)C1=O ZINC001277005352 1031168028 /nfs/dbraw/zinc/16/80/28/1031168028.db2.gz RRKUWMBAESWGRA-HXUWFJFHSA-N 1 0 386.282 3.512 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)OCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001224950894 1031187316 /nfs/dbraw/zinc/18/73/16/1031187316.db2.gz WLZVZLRTOOCMAV-FQEVSTJZSA-N 1 0 396.535 3.721 20 30 GHEDRO CCC[C@H](C#Cc1ccccc1)OCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001224951877 1031187555 /nfs/dbraw/zinc/18/75/55/1031187555.db2.gz GGWNZDQRCVYHFJ-HSZRJFAPSA-N 1 0 392.547 3.616 20 30 GHEDRO Cc1cc(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC001219022083 1031216542 /nfs/dbraw/zinc/21/65/42/1031216542.db2.gz QRDOVKUELMTQTA-QHCPKHFHSA-N 1 0 391.519 3.719 20 30 GHEDRO COc1cc(C#N)c(F)cc1NC(=O)C[C@H]([NH3+])Cc1cccc2ccccc21 ZINC001219107330 1031254276 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HIIFDOSTAJKNFL-KRWDZBQOSA-N 1 0 387.277 3.601 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC001219798975 1031624962 /nfs/dbraw/zinc/62/49/62/1031624962.db2.gz ACORSPMPZJHWQJ-UHFFFAOYSA-N 1 0 381.455 3.863 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1cc(F)cc(C#N)c1 ZINC001219799630 1031626563 /nfs/dbraw/zinc/62/65/63/1031626563.db2.gz YWUGHLGMRCNWNR-HZPDHXFCSA-N 1 0 380.467 3.975 20 30 GHEDRO CN(C(=O)Nc1cc(C#N)c(F)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219883376 1031673154 /nfs/dbraw/zinc/67/31/54/1031673154.db2.gz FVJCYORSNVJNOE-QGZVFWFLSA-N 1 0 384.430 3.965 20 30 GHEDRO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC001220047168 1031757133 /nfs/dbraw/zinc/75/71/33/1031757133.db2.gz TUFOKEBDANVUQS-BKTGTZMESA-N 1 0 398.304 3.501 20 30 GHEDRO C#Cc1ccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1 ZINC001220348408 1031906199 /nfs/dbraw/zinc/90/61/99/1031906199.db2.gz ANPLODKEOKAXIS-QGZVFWFLSA-N 1 0 394.494 3.832 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nc(C(C)(C)C)cs1)C(C)C ZINC001220597605 1032003288 /nfs/dbraw/zinc/00/32/88/1032003288.db2.gz GFETVOMKKUSDAK-INIZCTEOSA-N 1 0 378.586 3.938 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)C(C)C ZINC001220597964 1032003341 /nfs/dbraw/zinc/00/33/41/1032003341.db2.gz KTTZRVLNXUDTRK-VAMGGRTRSA-N 1 0 379.589 3.826 20 30 GHEDRO C=CCSc1ncccc1C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220613974 1032012641 /nfs/dbraw/zinc/01/26/41/1032012641.db2.gz UDFBBIUENAMFQO-OAHLLOKOSA-N 1 0 392.322 3.552 20 30 GHEDRO CCn1c(O[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(C)c(C#N)c1=O ZINC001229322804 1033414677 /nfs/dbraw/zinc/41/46/77/1033414677.db2.gz IDJWLUOCJHCBNP-FQEVSTJZSA-N 1 0 379.504 3.728 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)ccc1F ZINC001205467200 1033424881 /nfs/dbraw/zinc/42/48/81/1033424881.db2.gz LRLNUHIQYCMILY-UHFFFAOYSA-N 1 0 385.508 3.626 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)ccc1F ZINC001205467214 1033425314 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O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1OC1CC[NH+](C2CC2)CC1 ZINC001229587627 1033575459 /nfs/dbraw/zinc/57/54/59/1033575459.db2.gz YJKGOQBQVLKCOQ-LREOWRDNSA-N 1 0 395.455 3.705 20 30 GHEDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001157434588 1033585794 /nfs/dbraw/zinc/58/57/94/1033585794.db2.gz ORLOAODMGNBHSK-GCJKJVERSA-N 1 0 377.488 3.710 20 30 GHEDRO Cc1cc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c(C#N)cc1N(C)C ZINC001205942230 1033647478 /nfs/dbraw/zinc/64/74/78/1033647478.db2.gz MITCFSNFVIIKIV-UHFFFAOYSA-N 1 0 383.540 3.661 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N(CCC)CC[NH+]1CCCCC1 ZINC001157556532 1033657699 /nfs/dbraw/zinc/65/76/99/1033657699.db2.gz AJEXSSHKYDEEPQ-UHFFFAOYSA-N 1 0 396.535 3.775 20 30 GHEDRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001206069127 1033708070 /nfs/dbraw/zinc/70/80/70/1033708070.db2.gz BQGZBAULWPWXOO-HXUWFJFHSA-N 1 0 389.540 3.804 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001206069618 1033708834 /nfs/dbraw/zinc/70/88/34/1033708834.db2.gz MZSSTMPFBHHZNE-QFIPXVFZSA-N 1 0 387.524 3.654 20 30 GHEDRO Cc1cc(-c2noc(C3(Cc4ccccc4F)CC[NH2+]CC3)n2)ccc1C#N ZINC001206135687 1033735331 /nfs/dbraw/zinc/73/53/31/1033735331.db2.gz ZSRYDZMNXAIZHZ-UHFFFAOYSA-N 1 0 376.435 3.920 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001206202266 1033762612 /nfs/dbraw/zinc/76/26/12/1033762612.db2.gz CHWYIQIXQRGHNQ-KGLIPLIRSA-N 1 0 396.329 3.960 20 30 GHEDRO COc1ccccc1C1(Cc2nc(-c3cc(C#N)ccc3F)no2)CC[NH2+]CC1 ZINC001206377179 1033820696 /nfs/dbraw/zinc/82/06/96/1033820696.db2.gz UTRQIRVBRHDDLT-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001158049198 1033884494 /nfs/dbraw/zinc/88/44/94/1033884494.db2.gz YJCSFFOXRVXHKK-UHFFFAOYSA-N 1 0 396.241 3.515 20 30 GHEDRO N#Cc1ccnc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)c1F ZINC001158088838 1033909612 /nfs/dbraw/zinc/90/96/12/1033909612.db2.gz QLKMCMJAPSGYTB-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO N#Cc1c[nH]c2nc(N(c3ccc(C(F)(F)F)cn3)C3CC[NH2+]CC3)ccc12 ZINC001158093230 1033912006 /nfs/dbraw/zinc/91/20/06/1033912006.db2.gz NGWKVCQCRAZLIC-UHFFFAOYSA-N 1 0 386.381 3.738 20 30 GHEDRO C#C[C@@H](C)Oc1c(OC)cc2c3c1-c1c(O)c(OC)ccc1C[C@@H]3[N+](C)(C)CC2 ZINC001230163167 1033925071 /nfs/dbraw/zinc/92/50/71/1033925071.db2.gz MNDHVCPEISZJLU-PBHICJAKSA-O 1 0 394.491 3.707 20 30 GHEDRO C=CCOc1cc(C)nc(N(Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001158155014 1033939984 /nfs/dbraw/zinc/93/99/84/1033939984.db2.gz RMBOTMBFNNTWFU-WGSAOQKQSA-N 1 0 382.508 3.635 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1)C1CCOCC1 ZINC001206728789 1033960319 /nfs/dbraw/zinc/96/03/19/1033960319.db2.gz WNGMMAWIXDJTJT-YRPNKDGESA-N 1 0 376.541 3.573 20 30 GHEDRO C[NH+]1CCC(Oc2nnc(Cc3ccc(F)c(C#N)c3)c3ccccc32)CC1 ZINC001230259277 1033966990 /nfs/dbraw/zinc/96/69/90/1033966990.db2.gz DGTRBEKHIWEUPV-UHFFFAOYSA-N 1 0 376.435 3.704 20 30 GHEDRO COC(=O)c1cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884265 1069834085 /nfs/dbraw/zinc/83/40/85/1069834085.db2.gz RXKRYDZVPFLUMO-SFTDATJTSA-N 1 0 377.488 3.883 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001230477881 1034079906 /nfs/dbraw/zinc/07/99/06/1034079906.db2.gz BGUVLKMVKRAHAA-FCHUYYIVSA-N 1 0 379.479 3.806 20 30 GHEDRO C=C(Cl)C[C@@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)OCC ZINC001207129752 1034114376 /nfs/dbraw/zinc/11/43/76/1034114376.db2.gz RDKYRTXTMNPICJ-ZGXWSNOMSA-N 1 0 376.928 3.703 20 30 GHEDRO C=CCN(CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204014 1034172782 /nfs/dbraw/zinc/17/27/82/1034172782.db2.gz YSWJHCWMBHXUBK-OAQYLSRUSA-N 1 0 387.568 3.863 20 30 GHEDRO N#Cc1c(Cl)ccnc1-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001158669194 1034222775 /nfs/dbraw/zinc/22/27/75/1034222775.db2.gz OJZCYRZBQCUOKT-UHFFFAOYSA-N 1 0 380.757 3.950 20 30 GHEDRO N#Cc1c[nH]c2nc(-n3cc(CC[NH3+])c4ccc(OC(F)(F)F)cc43)ccc12 ZINC001158670153 1034224976 /nfs/dbraw/zinc/22/49/76/1034224976.db2.gz ONICRPYGEGYXGD-UHFFFAOYSA-N 1 0 385.349 3.778 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C2 ZINC001207311331 1034258845 /nfs/dbraw/zinc/25/88/45/1034258845.db2.gz DAYORXPIADIVRC-CNNODRBYSA-N 1 0 394.556 3.602 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(C)cc(Br)cc3C)C2)C1=O ZINC001277467172 1034263080 /nfs/dbraw/zinc/26/30/80/1034263080.db2.gz OEDWMRGFFPOHMG-LJQANCHMSA-N 1 0 377.326 3.676 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCc1c(Cl)nc(C)nc1Cl)CC2 ZINC001207335860 1034285891 /nfs/dbraw/zinc/28/58/91/1034285891.db2.gz JYHDQMMSRRLECD-IBGZPJMESA-N 1 0 397.350 3.667 20 30 GHEDRO C=C(CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC001230977170 1034321244 /nfs/dbraw/zinc/32/12/44/1034321244.db2.gz ZRKBGQNHLAKODW-UHFFFAOYSA-N 1 0 393.531 3.716 20 30 GHEDRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](C[N@H+](CCC#N)C2CCCC2)OC(C)(C)O1 ZINC001207386595 1034333512 /nfs/dbraw/zinc/33/35/12/1034333512.db2.gz AVPDSMNTOZMABC-MSOLQXFVSA-N 1 0 380.529 3.787 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1cccc(Br)c1)C2 ZINC001207504912 1034408862 /nfs/dbraw/zinc/40/88/62/1034408862.db2.gz LCRSBQKCKVDAOV-RTBURBONSA-N 1 0 380.326 3.818 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCc1cccc(Br)c1)C2 ZINC001207504910 1034408910 /nfs/dbraw/zinc/40/89/10/1034408910.db2.gz LCRSBQKCKVDAOV-OALUTQOASA-N 1 0 380.326 3.818 20 30 GHEDRO N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159274306 1034517834 /nfs/dbraw/zinc/51/78/34/1034517834.db2.gz HJMDJCQOHSFUAR-UHFFFAOYSA-N 1 0 378.867 3.551 20 30 GHEDRO COC(=O)c1ccc(Br)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159484661 1034616096 /nfs/dbraw/zinc/61/60/96/1034616096.db2.gz OWOOHCOOTJHZCQ-UHFFFAOYSA-N 1 0 386.249 3.538 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c[nH]c4cccnc34)C[C@@H]2c2ccccc2)C1=O ZINC001231488702 1034633291 /nfs/dbraw/zinc/63/32/91/1034633291.db2.gz LSGQSKKZEWLXJR-YKSBVNFPSA-N 1 0 386.499 3.567 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(Nc2ccc(OCC[NH3+])cc2)cc1 ZINC001159686027 1034713201 /nfs/dbraw/zinc/71/32/01/1034713201.db2.gz ADIBRZFVCKBMED-UHFFFAOYSA-N 1 0 378.494 3.519 20 30 GHEDRO COc1cc(C(F)(F)F)ccc1Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001159742627 1034730754 /nfs/dbraw/zinc/73/07/54/1034730754.db2.gz FTKIOKWXVMZRBZ-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO N#Cc1cc(Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)ccc1N1CC[NH2+]CC1 ZINC001159748988 1034732266 /nfs/dbraw/zinc/73/22/66/1034732266.db2.gz TYLIPBORKSTEIK-UHFFFAOYSA-N 1 0 392.246 3.926 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3cc(C(=O)OC)c(N(C)C)nc3CC2)CC1 ZINC001208175046 1034774919 /nfs/dbraw/zinc/77/49/19/1034774919.db2.gz MHUFQDXTWVJBCO-GOSISDBHSA-N 1 0 383.536 3.637 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)CN(C(=O)c2cccnc2)CCO3)CC1 ZINC001208176155 1034775542 /nfs/dbraw/zinc/77/55/42/1034775542.db2.gz BPNKFRUZVSMMNC-OAQYLSRUSA-N 1 0 395.547 3.691 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001208176422 1034776589 /nfs/dbraw/zinc/77/65/89/1034776589.db2.gz CWXTZFAPXJPZBN-HSALFYBXSA-N 1 0 376.541 3.999 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC001231621657 1034779719 /nfs/dbraw/zinc/77/97/19/1034779719.db2.gz IHHHIUBYYUJISD-UHFFFAOYSA-N 1 0 397.906 3.749 20 30 GHEDRO C#Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C(F)(F)F)C2)c1 ZINC001231657971 1034814159 /nfs/dbraw/zinc/81/41/59/1034814159.db2.gz PFMTUSCJAVJPCC-YLJYHZDGSA-N 1 0 394.437 3.899 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(C[C@@H](OCc4csc(C)n4)CO3)CC2)c1 ZINC001231659461 1034816060 /nfs/dbraw/zinc/81/60/60/1034816060.db2.gz MNJGXAFBKBVUMX-OAQYLSRUSA-N 1 0 382.529 3.773 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC001208232357 1034819931 /nfs/dbraw/zinc/81/99/31/1034819931.db2.gz FNAHKSJRUDOADI-IBGZPJMESA-N 1 0 398.551 3.717 20 30 GHEDRO Cc1nc(C#Cc2ccnc(NCC(C)(C)[NH3+])c2)c(C)n1-c1ccc(F)cc1 ZINC001160032011 1034837323 /nfs/dbraw/zinc/83/73/23/1034837323.db2.gz IXTYWIYRCCWNRS-UHFFFAOYSA-N 1 0 377.467 3.572 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccc(Cl)c(O)c4)C3)CC2=O)c1 ZINC001231738696 1034872446 /nfs/dbraw/zinc/87/24/46/1034872446.db2.gz SPQZAANGMGFJSI-OAQYLSRUSA-N 1 0 381.863 3.546 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1c2ccccc2OC[C@H]1C[NH3+] ZINC001160196154 1034899149 /nfs/dbraw/zinc/89/91/49/1034899149.db2.gz SOGRCCJGLBJUBD-SECBINFHSA-N 1 0 385.201 3.536 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC001208475992 1034908911 /nfs/dbraw/zinc/90/89/11/1034908911.db2.gz FWQOCHPXDMONMU-LSDHHAIUSA-N 1 0 384.430 3.963 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc(-c3ccccc3)nc1C)CC2 ZINC001231798935 1034917236 /nfs/dbraw/zinc/91/72/36/1034917236.db2.gz XKBGKTFLYOSKDI-UHFFFAOYSA-N 1 0 376.504 3.595 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)cc1 ZINC001231819668 1034928515 /nfs/dbraw/zinc/92/85/15/1034928515.db2.gz QMNDLNQEJGTHRW-PZJWPPBQSA-N 1 0 395.576 3.589 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)cc1 ZINC001231821660 1034928976 /nfs/dbraw/zinc/92/89/76/1034928976.db2.gz HZIARVUSCUGKAT-NRFANRHFSA-N 1 0 389.503 3.658 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)C1 ZINC001231866362 1034952980 /nfs/dbraw/zinc/95/29/80/1034952980.db2.gz FELRZNDHHJMUPD-HXUWFJFHSA-N 1 0 378.900 3.965 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1Nc1ccc(C[NH3+])nc1 ZINC001160402713 1034965329 /nfs/dbraw/zinc/96/53/29/1034965329.db2.gz WPPGXVPBALSYRT-UHFFFAOYSA-N 1 0 395.583 3.892 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@H+](CCOCCOCc3ccccc3)C2)cc1 ZINC001208753206 1034999592 /nfs/dbraw/zinc/99/95/92/1034999592.db2.gz GCYDEYNXDPHPOG-QHCPKHFHSA-N 1 0 380.488 3.635 20 30 GHEDRO COc1ccc(CC[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cc1OC ZINC001208761180 1035004749 /nfs/dbraw/zinc/00/47/49/1035004749.db2.gz QXDSYBRBTIKACW-UHFFFAOYSA-N 1 0 396.487 3.670 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)cc1Cl ZINC001277597173 1035030996 /nfs/dbraw/zinc/03/09/96/1035030996.db2.gz ZJLAIOBTJSGWOS-LJQANCHMSA-N 1 0 381.854 3.681 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2cn(CC3CC3)nc21 ZINC001208850086 1035056934 /nfs/dbraw/zinc/05/69/34/1035056934.db2.gz WLHBDMMQHAWYOB-QFIPXVFZSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)c1 ZINC001208850103 1035057243 /nfs/dbraw/zinc/05/72/43/1035057243.db2.gz XFVDGZBMJLZGLI-DEOSSOPVSA-N 1 0 388.515 3.543 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](CCCc3cccc(C#N)c3)CC2)C1=O ZINC001208850151 1035057374 /nfs/dbraw/zinc/05/73/74/1035057374.db2.gz YSVICGRLOAYQFI-QHCPKHFHSA-N 1 0 387.527 3.829 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](CCCc4cccc(C#N)c4)C3)CC2=O)cc1 ZINC001208852264 1035058374 /nfs/dbraw/zinc/05/83/74/1035058374.db2.gz YDHXXPIJYNWIFD-XMMPIXPASA-N 1 0 389.499 3.628 20 30 GHEDRO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208853695 1035059353 /nfs/dbraw/zinc/05/93/53/1035059353.db2.gz SBNFJCQYVBXHCQ-QFIPXVFZSA-N 1 0 375.516 3.832 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CCCc3cccc(C#N)c3)C[C@@H]12 ZINC001208852732 1035059947 /nfs/dbraw/zinc/05/99/47/1035059947.db2.gz RPHZKAOMUOIBMG-RPBOFIJWSA-N 1 0 387.527 3.755 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](CCCc3cccc(C#N)c3)C2)cc1 ZINC001208854890 1035060492 /nfs/dbraw/zinc/06/04/92/1035060492.db2.gz XWUCDHINGBTRIY-QHCPKHFHSA-N 1 0 391.515 3.784 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ncc(Br)cc1C)CC2 ZINC001232046329 1035060576 /nfs/dbraw/zinc/06/05/76/1035060576.db2.gz JVEYTFMRESKHQS-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC001208923606 1035090917 /nfs/dbraw/zinc/09/09/17/1035090917.db2.gz RBIKDIBKKMDJQN-UHFFFAOYSA-N 1 0 385.511 3.891 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cc1 ZINC001208926696 1035091947 /nfs/dbraw/zinc/09/19/47/1035091947.db2.gz KBWRJQPJXJAXDF-QFIPXVFZSA-N 1 0 381.426 3.508 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)cc1 ZINC001208927152 1035093277 /nfs/dbraw/zinc/09/32/77/1035093277.db2.gz QNCOKJMOYBCGCK-GMAHTHKFSA-N 1 0 395.478 3.585 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]12 ZINC001232114107 1035102703 /nfs/dbraw/zinc/10/27/03/1035102703.db2.gz DBSIVDOMLPIZCW-PKTZIBPZSA-N 1 0 393.918 3.976 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]2C1 ZINC001232114958 1035104662 /nfs/dbraw/zinc/10/46/62/1035104662.db2.gz ANNNBADWYHFTNV-SJORKVTESA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1Cl ZINC001232119562 1035106984 /nfs/dbraw/zinc/10/69/84/1035106984.db2.gz GJJVWUUCXXFMJU-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO CN(C(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1)C(C)(C)Cc1ccccc1 ZINC001160974621 1035109977 /nfs/dbraw/zinc/10/99/77/1035109977.db2.gz DBVYBGFUOJAEEH-KNQAVFIVSA-N 1 0 375.516 3.559 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954581 1035127383 /nfs/dbraw/zinc/12/73/83/1035127383.db2.gz WNISHYBBTHSCMK-GGAORHGYSA-N 1 0 375.516 3.924 20 30 GHEDRO C=CCN(CC[N@@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1)C(=O)OCC ZINC001209022445 1035152473 /nfs/dbraw/zinc/15/24/73/1035152473.db2.gz ZTMUZLOTNLGRDQ-QFIPXVFZSA-N 1 0 389.515 3.511 20 30 GHEDRO COc1ncc(NC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cc1C#N ZINC001209050240 1035157622 /nfs/dbraw/zinc/15/76/22/1035157622.db2.gz BYEZJZQWLJIDHT-VQIMIIECSA-N 1 0 395.507 3.849 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001209120079 1035182525 /nfs/dbraw/zinc/18/25/25/1035182525.db2.gz HUYPSSPPERNPND-SFHVURJKSA-N 1 0 379.426 3.783 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](CCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001209125134 1035184999 /nfs/dbraw/zinc/18/49/99/1035184999.db2.gz XGGCOGMXMUPDMW-UHFFFAOYSA-N 1 0 382.426 3.968 20 30 GHEDRO C#CCNC(=O)[C@H]1CC12CCN(Cc1c(Cl)ccc(Cl)c1Cl)CC2 ZINC001276620411 1035195528 /nfs/dbraw/zinc/19/55/28/1035195528.db2.gz HWUTXNKTSXUELL-CYBMUJFWSA-N 1 0 385.722 3.998 20 30 GHEDRO C=CCCC[N@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 ZINC001209161001 1035195930 /nfs/dbraw/zinc/19/59/30/1035195930.db2.gz GLSYUFKOMSHVBC-IEBWSBKVSA-N 1 0 382.957 3.532 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209373402 1035258635 /nfs/dbraw/zinc/25/86/35/1035258635.db2.gz MGDKKYFNVYZNAV-NQIIRXRSSA-N 1 0 382.545 3.508 20 30 GHEDRO COc1cc(C(F)(F)N2CCC([NH3+])(CC3CCC3)CC2)c(C#N)c(Cl)n1 ZINC001161576864 1035263110 /nfs/dbraw/zinc/26/31/10/1035263110.db2.gz ZHRKDUHSUKZWPY-UHFFFAOYSA-N 1 0 384.858 3.648 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001209380583 1035264086 /nfs/dbraw/zinc/26/40/86/1035264086.db2.gz MCBIHHVFNANKPG-CVGVIWOCSA-N 1 0 382.548 3.694 20 30 GHEDRO C=CCCCCCCCCN1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209442656 1035275308 /nfs/dbraw/zinc/27/53/08/1035275308.db2.gz BFQZSOPOYLVFCE-UHFFFAOYSA-N 1 0 386.584 3.962 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N(CC[NH3+])c2ccc(F)cc2)c1C#N ZINC001161881311 1035320806 /nfs/dbraw/zinc/32/08/06/1035320806.db2.gz VIQDNFMDQIICDN-UHFFFAOYSA-N 1 0 379.464 3.973 20 30 GHEDRO CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1C ZINC001209612946 1035330716 /nfs/dbraw/zinc/33/07/16/1035330716.db2.gz GATLRPAFRFUYQO-IBGZPJMESA-N 1 0 381.476 3.723 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cccc(-c4ccncc4)c3)no2)c1 ZINC001248154571 1035580590 /nfs/dbraw/zinc/58/05/90/1035580590.db2.gz GKLJQNMUYAZCMP-OAQYLSRUSA-N 1 0 381.439 3.783 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001248180289 1035607627 /nfs/dbraw/zinc/60/76/27/1035607627.db2.gz UBMRCPQQFMTCIB-INIZCTEOSA-N 1 0 390.340 3.879 20 30 GHEDRO Cc1c(Br)cccc1-c1noc(C[C@@H]([NH3+])Cc2ccccc2C#N)n1 ZINC001248180158 1035607893 /nfs/dbraw/zinc/60/78/93/1035607893.db2.gz QZMWMPQYOITVLL-HNNXBMFYSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cccc(C(F)(F)F)c2F)no1 ZINC001248180208 1035607969 /nfs/dbraw/zinc/60/79/69/1035607969.db2.gz RUWZZWXEYZNITK-ZDUSSCGKSA-N 1 0 390.340 3.879 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(-c3ccc(CN4CC[NH2+]CC4)cc3)nn2)cc1 ZINC001241975969 1035771040 /nfs/dbraw/zinc/77/10/40/1035771040.db2.gz DDDJEIYIGLJQIK-JOCHJYFZSA-N 1 0 383.499 3.513 20 30 GHEDRO CC(C)(C)COS(=O)(=O)c1ccc(-c2cccc(Cn3cc[nH+]c3N)c2)cc1 ZINC001242180555 1035855481 /nfs/dbraw/zinc/85/54/81/1035855481.db2.gz WPRNDJZXLAWAEZ-UHFFFAOYSA-N 1 0 399.516 3.932 20 30 GHEDRO C=CC[N@@H+](Cc1cc(I)c(OC)cc1O)C(C)(C)C ZINC001248477097 1035903621 /nfs/dbraw/zinc/90/36/21/1035903621.db2.gz YHQMVMPBWNMXSU-UHFFFAOYSA-N 1 0 375.250 3.792 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1cccc(C#N)c1 ZINC001248682443 1036049839 /nfs/dbraw/zinc/04/98/39/1036049839.db2.gz WWIFVFOQMVVDPF-ANJVHQHFSA-N 1 0 388.515 3.783 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(Cl)c1OC)C2 ZINC001248797788 1036168104 /nfs/dbraw/zinc/16/81/04/1036168104.db2.gz SBHCLRBXFJYQER-WIYYLYMNSA-N 1 0 395.927 3.931 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc(C[C@H]4CC[NH2+]C[C@@H]4F)n3)cc2)cc1 ZINC001248908920 1036236640 /nfs/dbraw/zinc/23/66/40/1036236640.db2.gz WNIDGCHZTQYBDK-APWZRJJASA-N 1 0 378.407 3.891 20 30 GHEDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001244160563 1036406122 /nfs/dbraw/zinc/40/61/22/1036406122.db2.gz HFXBAIOGFNNDMX-ZMOGYAJESA-N 1 0 393.409 3.941 20 30 GHEDRO N#CC1(c2ccccc2-c2ccc(CN3CCOCC3)c(Cl)c2)CC[NH2+]CC1 ZINC001244810537 1036661856 /nfs/dbraw/zinc/66/18/56/1036661856.db2.gz KMFGTTHAXVUERZ-UHFFFAOYSA-N 1 0 395.934 3.984 20 30 GHEDRO CN(C(=O)c1ccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)cc1)c1ccccc1 ZINC001245124755 1036768295 /nfs/dbraw/zinc/76/82/95/1036768295.db2.gz RJUHBSYOGXEADM-UHFFFAOYSA-N 1 0 382.467 3.933 20 30 GHEDRO C[NH+]1CCC(Oc2ccnc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2)CC1 ZINC001245305317 1036865143 /nfs/dbraw/zinc/86/51/43/1036865143.db2.gz QJIWHDBNSZEZFU-UHFFFAOYSA-N 1 0 393.487 3.651 20 30 GHEDRO N#Cc1cc(-c2ccnc(C3=CC[C@H]([NH+]4CCOCC4)CC3)n2)c(F)cc1F ZINC001245418094 1036916064 /nfs/dbraw/zinc/91/60/64/1036916064.db2.gz HCXZYWXFJRYNEN-INIZCTEOSA-N 1 0 382.414 3.562 20 30 GHEDRO COC(=O)c1ccc2[nH]c(-c3ccc(OC4CC[NH2+]CC4)c(C#N)c3)cc2c1 ZINC001245588210 1036956897 /nfs/dbraw/zinc/95/68/97/1036956897.db2.gz GBELZAAWKDCXPN-UHFFFAOYSA-N 1 0 375.428 3.624 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001245788268 1036999296 /nfs/dbraw/zinc/99/92/96/1036999296.db2.gz QYBAHLWHEFCZMB-CYBMUJFWSA-N 1 0 384.471 3.984 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCN[C@H](c3ccccc3)C1)CC2 ZINC001246527192 1037460195 /nfs/dbraw/zinc/46/01/95/1037460195.db2.gz SQEKXBAQRPWCSX-VXKWHMMOSA-N 1 0 397.563 3.980 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc([C@@H]2CC[NH2+][C@H]2c2cccnc2)n1 ZINC001247097816 1037915246 /nfs/dbraw/zinc/91/52/46/1037915246.db2.gz BILIMAMEMIMYPB-CVEARBPZSA-N 1 0 396.248 3.584 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=S)NCCCCCCCC)CC1 ZINC001247160099 1037955375 /nfs/dbraw/zinc/95/53/75/1037955375.db2.gz FXKQHEMASSMHOV-UHFFFAOYSA-N 1 0 380.646 3.513 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001462233587 1070106200 /nfs/dbraw/zinc/10/62/00/1070106200.db2.gz WEAMKHAXPSXGSR-JOCHJYFZSA-N 1 0 376.500 3.873 20 30 GHEDRO C=CCOc1ccc(-c2noc([C@H](c3ccco3)N3CCC([NH3+])CC3)n2)c(F)c1 ZINC001247313433 1038104924 /nfs/dbraw/zinc/10/49/24/1038104924.db2.gz GHFZBBPDHOKFAX-IBGZPJMESA-N 1 0 398.438 3.546 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NCc2ccc(C#N)c(OC)c2)c1 ZINC001462238869 1070111332 /nfs/dbraw/zinc/11/13/32/1070111332.db2.gz NIPXPAKMYMYXLC-UHFFFAOYSA-N 1 0 381.476 3.678 20 30 GHEDRO COC(=O)c1cccc2n[nH]c(C[NH+]3CCC(Cc4ccc(C#N)cc4)CC3)c21 ZINC001232438681 1038218369 /nfs/dbraw/zinc/21/83/69/1038218369.db2.gz ZKLGQFNKNXNAKM-UHFFFAOYSA-N 1 0 388.471 3.676 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001232456276 1038242360 /nfs/dbraw/zinc/24/23/60/1038242360.db2.gz CPYULOFBVHBOAW-XLIONFOSSA-N 1 0 375.900 3.790 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccc(Br)c1N)C2 ZINC001232520959 1038284279 /nfs/dbraw/zinc/28/42/79/1038284279.db2.gz DYSBMHRFCAATFK-LJQANCHMSA-N 1 0 392.341 3.564 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OCc3ccccc3)ccn1)C2 ZINC001232591179 1038362749 /nfs/dbraw/zinc/36/27/49/1038362749.db2.gz KTZOHUWSFMDTJG-BJKOFHAPSA-N 1 0 394.515 3.987 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001232608038 1038392393 /nfs/dbraw/zinc/39/23/93/1038392393.db2.gz UAEGLTHWPPYTBE-FPOVZHCZSA-N 1 0 385.870 3.688 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)O3)n2)cc1Cl ZINC001247848088 1038422997 /nfs/dbraw/zinc/42/29/97/1038422997.db2.gz ZFPNBWWRYNZEBJ-AWEZNQCLSA-N 1 0 379.247 3.889 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc([C@@H]3NC(=O)CC34C[NH2+]C4)n2)cc1 ZINC001247868507 1038437754 /nfs/dbraw/zinc/43/77/54/1038437754.db2.gz KJZAXTVQOULWHK-IBGZPJMESA-N 1 0 398.507 3.627 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc(C[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)n2)cc1Cl ZINC001247886130 1038455458 /nfs/dbraw/zinc/45/54/58/1038455458.db2.gz PKXHRAPGDUJXBQ-ADLMAVQZSA-N 1 0 393.274 3.616 20 30 GHEDRO CC(C)[NH+]1CCN(Cc2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)no2)CC1 ZINC001248074498 1038569807 /nfs/dbraw/zinc/56/98/07/1038569807.db2.gz MVAFKZSAGMZVOM-UHFFFAOYSA-N 1 0 387.487 3.801 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3cc(Cl)ncc13)CCO2 ZINC001232819117 1038572923 /nfs/dbraw/zinc/57/29/23/1038572923.db2.gz CXGMVHZUJDNOBB-OXJNMPFZSA-N 1 0 375.900 3.790 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc(F)ccc1C#N)CC2 ZINC001232892058 1038680704 /nfs/dbraw/zinc/68/07/04/1038680704.db2.gz ZRZOHOJXVWKZRM-UHFFFAOYSA-N 1 0 378.495 3.969 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c(C#N)c1 ZINC001232966185 1038740006 /nfs/dbraw/zinc/74/00/06/1038740006.db2.gz NRYDDDINJNPJBV-BJKOFHAPSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCOCC3)C2)c(C#N)c1 ZINC001232966985 1038741208 /nfs/dbraw/zinc/74/12/08/1038741208.db2.gz ZCKOFPKOBIJRBQ-BJKOFHAPSA-N 1 0 398.547 3.681 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001233081956 1038854624 /nfs/dbraw/zinc/85/46/24/1038854624.db2.gz WKZCNYBPLOXHHB-QFIPXVFZSA-N 1 0 396.485 3.995 20 30 GHEDRO CCCCCCCC[C@H](O)CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001252125886 1038870937 /nfs/dbraw/zinc/87/09/37/1038870937.db2.gz IUALRLUHVCOMQO-JKLQHZFJSA-N 1 0 376.541 3.804 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001252128920 1038879936 /nfs/dbraw/zinc/87/99/36/1038879936.db2.gz SGSJFYZZBBSSFK-FYYLOGMGSA-N 1 0 387.568 3.618 20 30 GHEDRO COC(=O)c1cccc(C2CC[NH+](Cc3ccc(N(C)C)c(C#N)c3F)CC2)c1 ZINC001233101905 1038881583 /nfs/dbraw/zinc/88/15/83/1038881583.db2.gz IYGFLOYRFATJNM-UHFFFAOYSA-N 1 0 395.478 3.930 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001252129301 1038882690 /nfs/dbraw/zinc/88/26/90/1038882690.db2.gz YZRIMYSURAQDTG-NHCUHLMSSA-N 1 0 387.568 3.631 20 30 GHEDRO CN(C)c1ccc(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)c(F)c1C#N ZINC001233102745 1038887596 /nfs/dbraw/zinc/88/75/96/1038887596.db2.gz MBJSZUPZQLLAQE-UHFFFAOYSA-N 1 0 392.522 3.861 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001252139284 1038889865 /nfs/dbraw/zinc/88/98/65/1038889865.db2.gz ITRFREWDOQYUBQ-JQVVWYNYSA-N 1 0 398.588 3.856 20 30 GHEDRO C[C@@](O)(C[N@@H+]1CCC12CCCCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252316398 1038940856 /nfs/dbraw/zinc/94/08/56/1038940856.db2.gz GMLWTGFEXFCSSU-GOSISDBHSA-N 1 0 395.425 3.675 20 30 GHEDRO C[C@@H]1CCCCC[N@@H+]1C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252319528 1038941581 /nfs/dbraw/zinc/94/15/81/1038941581.db2.gz IBQRYGXPQPHFML-ACJLOTCBSA-N 1 0 383.414 3.531 20 30 GHEDRO C[C@](O)(C[NH2+]C1CCCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340170 1038946719 /nfs/dbraw/zinc/94/67/19/1038946719.db2.gz NOBFWTXVXJGHJX-IBGZPJMESA-N 1 0 397.441 3.969 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(O)c(OCC3CC3)c1)C2 ZINC001233226555 1038986397 /nfs/dbraw/zinc/98/63/97/1038986397.db2.gz OLAVPHOCPKWXNI-PKTZIBPZSA-N 1 0 387.520 3.755 20 30 GHEDRO C=CCOC[C@@H](O)C[N@H+](C1CCCC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252472134 1038999239 /nfs/dbraw/zinc/99/92/39/1038999239.db2.gz OIVYTKNKHLGGSI-IHPCNDPISA-N 1 0 396.572 3.630 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1 ZINC001252598808 1039042408 /nfs/dbraw/zinc/04/24/08/1039042408.db2.gz RPPVWZDERXEFGT-LJQANCHMSA-N 1 0 382.533 3.964 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(CN(C(=O)c3ccco3)c3ccc(C)cc32)CC1 ZINC001252597680 1039042831 /nfs/dbraw/zinc/04/28/31/1039042831.db2.gz BYTSATUSBZWSAI-IBGZPJMESA-N 1 0 394.515 3.909 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]CC(Cc1ccccc1)(Cc1ccccc1)C(=O)OC ZINC001252618861 1039050760 /nfs/dbraw/zinc/05/07/60/1039050760.db2.gz HJIXGPZWEVFVKN-JOCHJYFZSA-N 1 0 381.516 3.548 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cn3ccc(Cl)cc3n1)C2 ZINC001233390250 1039218300 /nfs/dbraw/zinc/21/83/00/1039218300.db2.gz OUQJVTYIYVTEJP-QUCCMNQESA-N 1 0 375.900 3.561 20 30 GHEDRO N#Cc1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1N1CCCCC1 ZINC001252937647 1039279557 /nfs/dbraw/zinc/27/95/57/1039279557.db2.gz JGLDDNRYWBUUJI-XMMPIXPASA-N 1 0 390.531 3.597 20 30 GHEDRO C[C@]12CN(C(=O)NCC3(C#N)CCCCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001253169727 1039460125 /nfs/dbraw/zinc/46/01/25/1039460125.db2.gz UZFCGLZMZVDZIQ-IRLDBZIGSA-N 1 0 380.536 3.624 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001253236662 1039490675 /nfs/dbraw/zinc/49/06/75/1039490675.db2.gz FCWBEQOXYPWVJB-JOCHJYFZSA-N 1 0 399.579 3.926 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001253238840 1039496460 /nfs/dbraw/zinc/49/64/60/1039496460.db2.gz IGEUSMIWBQLCRJ-FQEVSTJZSA-N 1 0 380.536 3.827 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001253239010 1039496879 /nfs/dbraw/zinc/49/68/79/1039496879.db2.gz VIZYOGOWPCHJSG-VXKWHMMOSA-N 1 0 384.564 3.870 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001253243036 1039500261 /nfs/dbraw/zinc/50/02/61/1039500261.db2.gz RGIFCWJVPJCFPY-OAQYLSRUSA-N 1 0 376.516 3.907 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+]C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253496122 1039678065 /nfs/dbraw/zinc/67/80/65/1039678065.db2.gz DBRZBPCVACWTPD-OAQYLSRUSA-N 1 0 380.960 3.722 20 30 GHEDRO C=C[C@@H](O)C[NH2+]CC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608980 1039719484 /nfs/dbraw/zinc/71/94/84/1039719484.db2.gz OMVDNNOWYSXMNN-GOSISDBHSA-N 1 0 394.943 3.745 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H](C)CCO ZINC001253613897 1039723436 /nfs/dbraw/zinc/72/34/36/1039723436.db2.gz FWJFWQGVHGXUAF-NHCUHLMSSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001253616873 1039729525 /nfs/dbraw/zinc/72/95/25/1039729525.db2.gz JOWUGVNOJORGTE-FNAHDJPLSA-N 1 0 385.589 3.536 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C(=O)OC(C)(C)C ZINC001253687274 1039766456 /nfs/dbraw/zinc/76/64/56/1039766456.db2.gz ASFKUBKLHCQNJF-UTKZUKDTSA-N 1 0 380.488 3.824 20 30 GHEDRO CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001546131365 1070230437 /nfs/dbraw/zinc/23/04/37/1070230437.db2.gz XQONKYSKLJAPDN-UHFFFAOYSA-N 1 0 392.551 3.974 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Oc2cc(OC)cc3c2C(=O)/C(=C/c2ccc(O)cc2)CO3)C1 ZINC001234175801 1039909584 /nfs/dbraw/zinc/90/95/84/1039909584.db2.gz MAZWMROHBVBQGI-GANRHZMWSA-N 1 0 395.455 3.533 20 30 GHEDRO C=CCOC(=O)[C@@H](NC[C@H](O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC ZINC001253932336 1039910527 /nfs/dbraw/zinc/91/05/27/1039910527.db2.gz NUDAZMCTHJWHIY-HARLFGEKSA-N 1 0 381.516 3.913 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@@H]2C[C@@]3(CO2)CCCC[NH2+]3)cc1 ZINC001254068126 1039981272 /nfs/dbraw/zinc/98/12/72/1039981272.db2.gz MISMYKDAMUOMSY-WIOPSUGQSA-N 1 0 398.510 3.895 20 30 GHEDRO COC(=O)C[C@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1ccccn1 ZINC001254348984 1040182040 /nfs/dbraw/zinc/18/20/40/1040182040.db2.gz FUSTZXCMYGDOCN-JGBTYHIZSA-N 1 0 381.451 3.819 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC(n2nnc(-c3ccc(C[NH3+])cc3)n2)CC1 ZINC001254351187 1040184522 /nfs/dbraw/zinc/18/45/22/1040184522.db2.gz FLDAIKAPWIZNAK-UHFFFAOYSA-N 1 0 376.439 3.515 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(c3ncccc3F)CC2)CC1 ZINC001254359191 1040190960 /nfs/dbraw/zinc/19/09/60/1040190960.db2.gz IHHGRLSDKFDDRQ-UHFFFAOYSA-N 1 0 382.458 3.886 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CCC[N@H+](C)CC2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234774212 1040302958 /nfs/dbraw/zinc/30/29/58/1040302958.db2.gz DJIMUAMXHPYHBI-QPGLYAHGSA-N 1 0 397.471 3.866 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[N@@H+](C(C)C)C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234775170 1040305008 /nfs/dbraw/zinc/30/50/08/1040305008.db2.gz RLXZXAQRDSBGJO-MBNRZODZSA-N 1 0 397.471 3.864 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254646914 1040415965 /nfs/dbraw/zinc/41/59/65/1040415965.db2.gz CYVPODZXHNOLEX-VHQFLLTFSA-N 1 0 381.476 3.737 20 30 GHEDRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254659628 1040423063 /nfs/dbraw/zinc/42/30/63/1040423063.db2.gz RGAWMTXVLCEZDY-TZIWHRDSSA-N 1 0 389.547 3.869 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@H+]([C@@H]2CC[C@H](C#N)C2)C2CCOCC2)CC1 ZINC001254676592 1040432728 /nfs/dbraw/zinc/43/27/28/1040432728.db2.gz MKJNFRGNTYXRLA-CGBFIWBNSA-N 1 0 391.556 3.996 20 30 GHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC001254694847 1040456114 /nfs/dbraw/zinc/45/61/14/1040456114.db2.gz PADSNSMDVSJPFE-OAQYLSRUSA-N 1 0 392.503 3.545 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH+]3CCC(C)(C#N)CC3)CC2)C1 ZINC001254727075 1040485453 /nfs/dbraw/zinc/48/54/53/1040485453.db2.gz RSPQMJXIXSIXEJ-UHFFFAOYSA-N 1 0 377.529 3.561 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1cccc(Cl)c1C#N)CC2 ZINC001235021344 1040515010 /nfs/dbraw/zinc/51/50/10/1040515010.db2.gz ZLWUBTDJAQIRCN-UHFFFAOYSA-N 1 0 381.907 3.857 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235264801 1040743003 /nfs/dbraw/zinc/74/30/03/1040743003.db2.gz YWFDIGUFGQDENY-JXFKEZNVSA-N 1 0 398.304 3.907 20 30 GHEDRO CC1(C)CCC([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)CC1 ZINC001255304672 1040941949 /nfs/dbraw/zinc/94/19/49/1040941949.db2.gz OMHJMPKGCCEZFT-HSZRJFAPSA-N 1 0 382.552 3.841 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccccc3CC#N)CC2)c2ccccc21 ZINC001235516562 1040971179 /nfs/dbraw/zinc/97/11/79/1040971179.db2.gz HRTZVMZWMRQPLR-OAQYLSRUSA-N 1 0 387.527 3.910 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CC#N)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255426189 1041021071 /nfs/dbraw/zinc/02/10/71/1041021071.db2.gz FBXJVRTVBNMNJR-SJORKVTESA-N 1 0 397.479 3.539 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cccn1C(=O)OC(C)(C)C)C2 ZINC001235631013 1041062681 /nfs/dbraw/zinc/06/26/81/1041062681.db2.gz SEVVNYMBQFVDDC-GHTZIAJQSA-N 1 0 376.497 3.597 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001462538509 1070340494 /nfs/dbraw/zinc/34/04/94/1070340494.db2.gz LGKAQBHTLXCYJT-KNQAVFIVSA-N 1 0 391.515 3.839 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](C1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC001256310176 1041696279 /nfs/dbraw/zinc/69/62/79/1041696279.db2.gz OGTJKELCEPPDRN-UHFFFAOYSA-N 1 0 387.955 3.952 20 30 GHEDRO C[C@@H](Cc1ccccn1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001256413922 1041723406 /nfs/dbraw/zinc/72/34/06/1041723406.db2.gz CREBOGJOEIYCQA-GBXCKJPGSA-N 1 0 390.531 3.503 20 30 GHEDRO N#Cc1cc(F)cc(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)c1 ZINC001236497859 1041740408 /nfs/dbraw/zinc/74/04/08/1041740408.db2.gz QEYXAPHXSWWYCK-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO Cc1cnc2n1CCC21CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236861229 1041931778 /nfs/dbraw/zinc/93/17/78/1041931778.db2.gz VSYKBZBGVJOEKV-UHFFFAOYSA-N 1 0 385.309 3.763 20 30 GHEDRO N#Cc1ccc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1Br ZINC001236865080 1041934326 /nfs/dbraw/zinc/93/43/26/1041934326.db2.gz YJFWPBOCMSRBKK-PMACEKPBSA-N 1 0 396.332 3.885 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(F)c(N3CCOCC3)c2)C1 ZINC001236961391 1041970578 /nfs/dbraw/zinc/97/05/78/1041970578.db2.gz RICHWBLLPHDSOX-HXUWFJFHSA-N 1 0 395.478 3.577 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237118025 1042047122 /nfs/dbraw/zinc/04/71/22/1042047122.db2.gz SXMNWJDHQIAWBV-IBGZPJMESA-N 1 0 398.425 3.824 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001237119283 1042048684 /nfs/dbraw/zinc/04/86/84/1042048684.db2.gz CYANNOXVVCCNIX-IBGZPJMESA-N 1 0 382.863 3.795 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(C(F)F)c(OC)c1)CC2 ZINC001237278428 1042120237 /nfs/dbraw/zinc/12/02/37/1042120237.db2.gz ZGKVYZDRUOTMPQ-UHFFFAOYSA-N 1 0 380.435 3.853 20 30 GHEDRO COc1ccc(-c2ccccc2)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC001237306702 1042136197 /nfs/dbraw/zinc/13/61/97/1042136197.db2.gz HWSHHXTZAJPFLB-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c2cc(C#N)ccc21 ZINC001237467243 1042220337 /nfs/dbraw/zinc/22/03/37/1042220337.db2.gz PGSJRDJBRDNIEX-JOCHJYFZSA-N 1 0 390.512 3.740 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c2cc(C#N)ccc21 ZINC001237467164 1042220471 /nfs/dbraw/zinc/22/04/71/1042220471.db2.gz ANVDXRKNYXMMHC-JOCHJYFZSA-N 1 0 398.510 3.688 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237469427 1042221340 /nfs/dbraw/zinc/22/13/40/1042221340.db2.gz UZSGKLSKGJYBGY-MSOLQXFVSA-N 1 0 394.519 3.739 20 30 GHEDRO Cn1cc(C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)c2cc(C#N)ccc21 ZINC001237471061 1042223157 /nfs/dbraw/zinc/22/31/57/1042223157.db2.gz NQKZZAYBMVSKHM-UHFFFAOYSA-N 1 0 399.498 3.540 20 30 GHEDRO Cn1cc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c2cc(C#N)ccc21 ZINC001237473326 1042224059 /nfs/dbraw/zinc/22/40/59/1042224059.db2.gz XAICKOGZEAKNSK-UHFFFAOYSA-N 1 0 390.462 3.583 20 30 GHEDRO CCOC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001237481976 1042228081 /nfs/dbraw/zinc/22/80/81/1042228081.db2.gz RPTDHVVDLYKQQS-NRFANRHFSA-N 1 0 378.472 3.707 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4cc(C#N)c(F)cc4F)C3)C2=O)c1 ZINC001237524896 1042250569 /nfs/dbraw/zinc/25/05/69/1042250569.db2.gz BJBNRCZNNNZZKN-QHCPKHFHSA-N 1 0 395.453 3.770 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)c1 ZINC001237749254 1042352084 /nfs/dbraw/zinc/35/20/84/1042352084.db2.gz RQGRIPCJRYOTSL-UHFFFAOYSA-N 1 0 394.906 3.621 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)Nc1ccccc1CN1CC[NH2+]CC1 ZINC001237955421 1042436540 /nfs/dbraw/zinc/43/65/40/1042436540.db2.gz NGBNTQPKUTYKTH-UHFFFAOYSA-N 1 0 395.613 3.974 20 30 GHEDRO COc1cc(CN2CCC[C@@H](CC#N)C2)c(Br)c(OC)c1OC ZINC001237963084 1042438869 /nfs/dbraw/zinc/43/88/69/1042438869.db2.gz QSPRBYZDNSFTDR-LBPRGKRZSA-N 1 0 383.286 3.601 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c(Cl)c1 ZINC001238082628 1042485351 /nfs/dbraw/zinc/48/53/51/1042485351.db2.gz KPMINZBNZLRBPS-QFIPXVFZSA-N 1 0 394.906 3.764 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)ccc1Cl ZINC001238190480 1042514209 /nfs/dbraw/zinc/51/42/09/1042514209.db2.gz HKNAZPWKZGAXFA-IBGZPJMESA-N 1 0 379.891 3.707 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(-c4cc[nH]n4)c3)C2)C1 ZINC001238197154 1042516624 /nfs/dbraw/zinc/51/66/24/1042516624.db2.gz LOLAMPGZSXIJOP-JOCHJYFZSA-N 1 0 380.492 3.687 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001238277901 1042538595 /nfs/dbraw/zinc/53/85/95/1042538595.db2.gz XLWXPDQGNYIDKZ-LJQANCHMSA-N 1 0 383.602 3.658 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+](Cc3cncc(OCc4ccccc4)c3)C2)C1=O ZINC001238365308 1042570716 /nfs/dbraw/zinc/57/07/16/1042570716.db2.gz JIMPAIPNXORZHF-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO COc1cc(C[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)ccc1C#N ZINC001238410170 1042587255 /nfs/dbraw/zinc/58/72/55/1042587255.db2.gz XFJORCJJOUHMLZ-NHCUHLMSSA-N 1 0 391.471 3.552 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(F)c(F)c1OC)[C@@H]2CC ZINC001238467025 1042606334 /nfs/dbraw/zinc/60/63/34/1042606334.db2.gz CTUXCNNBQPAPCW-UTKZUKDTSA-N 1 0 378.463 3.895 20 30 GHEDRO CSc1ncc(C)cc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001238716383 1042699212 /nfs/dbraw/zinc/69/92/12/1042699212.db2.gz NHLRWMRYGKQELP-QFIPXVFZSA-N 1 0 392.528 3.613 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(F)c3OC(C)C)C2)C1=O ZINC001238740846 1042709091 /nfs/dbraw/zinc/70/90/91/1042709091.db2.gz JWTBDXANZMTNHM-OAQYLSRUSA-N 1 0 378.463 3.753 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1ccc(F)c(F)c1OC(C)C)CC2 ZINC001238741466 1042709200 /nfs/dbraw/zinc/70/92/00/1042709200.db2.gz NMMOYSNOULZMTM-UHFFFAOYSA-N 1 0 391.462 3.746 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001238744524 1042710917 /nfs/dbraw/zinc/71/09/17/1042710917.db2.gz BMTVMYDUBUYCBS-WOJBJXKFSA-N 1 0 381.586 3.792 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)ccc1C#N ZINC001238761917 1042718575 /nfs/dbraw/zinc/71/85/75/1042718575.db2.gz IDBCMDITZPYQDX-NHCUHLMSSA-N 1 0 394.544 3.651 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001238827718 1042739481 /nfs/dbraw/zinc/73/94/81/1042739481.db2.gz ZDXJEHNFQZDFIV-UHFFFAOYSA-N 1 0 384.561 3.727 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001239034543 1042760633 /nfs/dbraw/zinc/76/06/33/1042760633.db2.gz YKGIHLPDRAWCPF-OAHLLOKOSA-N 1 0 384.508 3.826 20 30 GHEDRO N#Cc1cccc(NC(=O)NCC2(Cc3ccccc3Cl)CC[NH2+]CC2)c1 ZINC001239239375 1042793610 /nfs/dbraw/zinc/79/36/10/1042793610.db2.gz CWJMKZBVBNJOBL-UHFFFAOYSA-N 1 0 382.895 3.946 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001239278551 1042800799 /nfs/dbraw/zinc/80/07/99/1042800799.db2.gz CXGDSFKNTIAVDW-QFIPXVFZSA-N 1 0 397.604 3.698 20 30 GHEDRO F[C@@H]1C[NH2+]CC[C@@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239355595 1042812806 /nfs/dbraw/zinc/81/28/06/1042812806.db2.gz HJRPBVZJUXYKPJ-MNOVXSKESA-N 1 0 389.340 3.711 20 30 GHEDRO Cc1ccc2c(c1)C1(C[C@@H]2NC(=S)Nc2ccccc2C#N)CC[NH2+]CC1 ZINC001239362005 1042813381 /nfs/dbraw/zinc/81/33/81/1042813381.db2.gz CHMPNVZEBNSUGK-FQEVSTJZSA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC[C@]3(CCCC[NH2+]3)C2)c(Br)c1 ZINC001239419677 1042825177 /nfs/dbraw/zinc/82/51/77/1042825177.db2.gz KPDPLSKAXWZDJC-QGZVFWFLSA-N 1 0 393.354 3.626 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(C(=S)Nc2ccccc2C#N)C1 ZINC001239446059 1042831280 /nfs/dbraw/zinc/83/12/80/1042831280.db2.gz WPACYLHSYLQBTH-QGZVFWFLSA-N 1 0 390.629 3.621 20 30 GHEDRO [NH3+]C[C@@]1(F)CCN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001239455647 1042832391 /nfs/dbraw/zinc/83/23/91/1042832391.db2.gz VGGBIKIGWDROBV-LBPRGKRZSA-N 1 0 389.340 3.794 20 30 GHEDRO N#Cc1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1OC1CC[NH2+]CC1 ZINC001240059063 1042878002 /nfs/dbraw/zinc/87/80/02/1042878002.db2.gz OFVQLFYSACBUFJ-UHFFFAOYSA-N 1 0 375.472 3.592 20 30 GHEDRO N#CC1(c2ccc(-c3cccc(CC[NH+]4CCOCC4)c3)cc2)CCOCC1 ZINC001240265249 1042914388 /nfs/dbraw/zinc/91/43/88/1042914388.db2.gz FPESKYRAKKKVHV-UHFFFAOYSA-N 1 0 376.500 3.800 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)c1 ZINC001240814883 1042955732 /nfs/dbraw/zinc/95/57/32/1042955732.db2.gz XTFJWOWBKHWOGN-UHFFFAOYSA-N 1 0 375.548 3.551 20 30 GHEDRO C[C@H](Cn1c(C2CC2)nnc1N(C)Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC001291105615 1043081172 /nfs/dbraw/zinc/08/11/72/1043081172.db2.gz LHFVSCUDXIOTMJ-ZWKOTPCHSA-N 1 0 392.551 3.784 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001291155109 1043113527 /nfs/dbraw/zinc/11/35/27/1043113527.db2.gz LAPGOBBMZZRODB-ROUUACIJSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCCC2)[C@@H]1C ZINC001291155205 1043114426 /nfs/dbraw/zinc/11/44/26/1043114426.db2.gz NCOHPKTYXIYWQJ-RTBURBONSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@H](C)Cc3ccccc3Br)C2)C1=O ZINC001256840781 1043690791 /nfs/dbraw/zinc/69/07/91/1043690791.db2.gz OCPRKGZCVWNLER-OXQOHEQNSA-N 1 0 391.353 3.881 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]C3CCC(C#N)CC3)cc2)CC1 ZINC001256953764 1043771278 /nfs/dbraw/zinc/77/12/78/1043771278.db2.gz MWQAXTKJWBSFKF-UHFFFAOYSA-N 1 0 398.551 3.916 20 30 GHEDRO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+](C2CCC(C#N)CC2)C3)n1 ZINC001256967774 1043777386 /nfs/dbraw/zinc/77/73/86/1043777386.db2.gz JHLHXEDWXKBAHI-RRIAHRGQSA-N 1 0 383.536 3.860 20 30 GHEDRO COc1ccc(OC[C@H](O)C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001257009619 1043797145 /nfs/dbraw/zinc/79/71/45/1043797145.db2.gz NHJAIIAVLMNBBS-XVAXZDLZSA-N 1 0 380.488 3.623 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257010170 1043797289 /nfs/dbraw/zinc/79/72/89/1043797289.db2.gz UCRDBYDIXVFOKL-TZWRJOPASA-N 1 0 399.535 3.544 20 30 GHEDRO CC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257136366 1043882034 /nfs/dbraw/zinc/88/20/34/1043882034.db2.gz XHOZMTWQTQBLFS-FPOVZHCZSA-N 1 0 398.551 3.858 20 30 GHEDRO CC(C)[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C ZINC001257174860 1043918518 /nfs/dbraw/zinc/91/85/18/1043918518.db2.gz AZWKQSMKFSGDAI-UYAOXDASSA-N 1 0 387.524 3.951 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H](C)CCC(=O)OCCCC)CC2 ZINC001257394189 1043982395 /nfs/dbraw/zinc/98/23/95/1043982395.db2.gz YIDCMIUXBGQZTK-LJQANCHMSA-N 1 0 394.556 3.999 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001293423338 1044169338 /nfs/dbraw/zinc/16/93/38/1044169338.db2.gz DIXOVGDFHSWZRZ-APWZRJJASA-N 1 0 378.524 3.678 20 30 GHEDRO C=C1C[C@@H]2CC([NH+]3CCC4(C[C@@H](c5cccnc5)C(=O)N4C)CC3)C[C@H](C1)C2 ZINC001257892263 1044246907 /nfs/dbraw/zinc/24/69/07/1044246907.db2.gz WXEDROKVGDXELU-UPWVYKOGSA-N 1 0 379.548 3.997 20 30 GHEDRO CCCCCCC[C@H](C)N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001258041397 1044366780 /nfs/dbraw/zinc/36/67/80/1044366780.db2.gz SPTIRSPGTDDCEA-KRWDZBQOSA-N 1 0 377.554 3.933 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001258045100 1044367518 /nfs/dbraw/zinc/36/75/18/1044367518.db2.gz WKCVYXUELIHQQT-ZSXPUABSSA-N 1 0 382.564 3.890 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001258044297 1044367718 /nfs/dbraw/zinc/36/77/18/1044367718.db2.gz LIZMDGWSJFJIPY-ITTUMRLJSA-N 1 0 380.573 3.606 20 30 GHEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CN(CCOC)C(=O)[C@H]2COC)CC1 ZINC001258048919 1044371717 /nfs/dbraw/zinc/37/17/17/1044371717.db2.gz ZCXLANICJTVLNX-VQTJNVASSA-N 1 0 382.589 3.569 20 30 GHEDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc(C#Cc4ccccc4)cc3)o2)C[C@H](C)O1 ZINC001258137542 1044422190 /nfs/dbraw/zinc/42/21/90/1044422190.db2.gz ILFCRLOHFXGEDN-OALUTQOASA-N 1 0 387.483 3.788 20 30 GHEDRO CCCCCCCCC[C@H](C)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001258227974 1044477161 /nfs/dbraw/zinc/47/71/61/1044477161.db2.gz BVGMUZCFSMZZAM-INIZCTEOSA-N 1 0 385.574 3.611 20 30 GHEDRO CCCCCCCCC[C@@H](C)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2 ZINC001258228491 1044478395 /nfs/dbraw/zinc/47/83/95/1044478395.db2.gz HVHLTFBDFLMBKY-QGZVFWFLSA-N 1 0 376.545 3.660 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1CC ZINC001294216921 1044530067 /nfs/dbraw/zinc/53/00/67/1044530067.db2.gz LNKJHXDILOSEHM-HXUWFJFHSA-N 1 0 380.540 3.927 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](C1CCN(c3cccc(F)c3)CC1)CCC2 ZINC001258422612 1044554687 /nfs/dbraw/zinc/55/46/87/1044554687.db2.gz UKOKZSPXAIGQOA-UHFFFAOYSA-N 1 0 384.499 3.600 20 30 GHEDRO C=CCC[C@H](C)[NH+]1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)cnc32)CC1 ZINC001258729919 1044735993 /nfs/dbraw/zinc/73/59/93/1044735993.db2.gz ZDJUSXSEKVGBRZ-KRWDZBQOSA-N 1 0 378.520 3.741 20 30 GHEDRO CC[NH+](CC)[C@H](Cn1c(N(C)[C@@H](C)CC#N)nnc1C(C)(C)C)c1ccco1 ZINC001295404698 1045001064 /nfs/dbraw/zinc/00/10/64/1045001064.db2.gz MFTMTECQSQJVKX-DLBZAZTESA-N 1 0 386.544 3.990 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C#N ZINC001296061290 1045237722 /nfs/dbraw/zinc/23/77/22/1045237722.db2.gz JWAOZTBSKYRLDT-IRXDYDNUSA-N 1 0 391.523 3.507 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(Br)cc2cccnc21 ZINC001297373319 1045505276 /nfs/dbraw/zinc/50/52/76/1045505276.db2.gz RQUWNZWAHDWCNM-UHFFFAOYSA-N 1 0 376.298 3.577 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC001261436362 1045997573 /nfs/dbraw/zinc/99/75/73/1045997573.db2.gz ZBQWRRWCCHDXOB-QFIPXVFZSA-N 1 0 399.498 3.799 20 30 GHEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001299753781 1046021243 /nfs/dbraw/zinc/02/12/43/1046021243.db2.gz HOUIIQPQZSXSJI-FHLIZLRMSA-N 1 0 379.426 3.963 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001300913575 1046238026 /nfs/dbraw/zinc/23/80/26/1046238026.db2.gz XYHUEGBHYOADJE-OALUTQOASA-N 1 0 375.561 3.797 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001300918118 1046240082 /nfs/dbraw/zinc/24/00/82/1046240082.db2.gz SLDFKIVXIBTARI-UHFFFAOYSA-N 1 0 377.602 3.605 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCC1CC[NH+](CC)CC1 ZINC001300918657 1046241007 /nfs/dbraw/zinc/24/10/07/1046241007.db2.gz DPSMLOAIANFQEW-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001301075704 1046321964 /nfs/dbraw/zinc/32/19/64/1046321964.db2.gz OJLVKNDDYRXHKX-MRXNPFEDSA-N 1 0 388.947 3.880 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001301087943 1046332282 /nfs/dbraw/zinc/33/22/82/1046332282.db2.gz ZGSOTCJTFXDJPI-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=CC1CCN(c2nnc(C(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001301105711 1046343492 /nfs/dbraw/zinc/34/34/92/1046343492.db2.gz MRFPSNAMGLBPQE-UHFFFAOYSA-N 1 0 393.579 3.903 20 30 GHEDRO C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301211589 1046407589 /nfs/dbraw/zinc/40/75/89/1046407589.db2.gz JWBQRYLWVUNPND-UHFFFAOYSA-N 1 0 397.523 3.607 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001262946036 1046442878 /nfs/dbraw/zinc/44/28/78/1046442878.db2.gz GIQMNGPQBPMZRP-IBGZPJMESA-N 1 0 384.572 3.505 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC001301333916 1046497135 /nfs/dbraw/zinc/49/71/35/1046497135.db2.gz DAXWFSOGWSJJJP-GHTZIAJQSA-N 1 0 395.551 3.805 20 30 GHEDRO CCn1c([C@@H](C)Cc2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263019073 1046507172 /nfs/dbraw/zinc/50/71/72/1046507172.db2.gz ZXIXDKHDRFICQD-GHTZIAJQSA-N 1 0 394.567 3.684 20 30 GHEDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1Br ZINC001301480951 1046559741 /nfs/dbraw/zinc/55/97/41/1046559741.db2.gz MKAUYRFQTSEXOL-CJNGLKHVSA-N 1 0 378.314 3.513 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001301539713 1046586934 /nfs/dbraw/zinc/58/69/34/1046586934.db2.gz WACFFKSOPAKWFR-VAMGGRTRSA-N 1 0 389.588 3.551 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC[C@H](C)C1 ZINC001263278676 1046671871 /nfs/dbraw/zinc/67/18/71/1046671871.db2.gz ONQMAXAHOYWSSO-ICSRJNTNSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001263301625 1046699152 /nfs/dbraw/zinc/69/91/52/1046699152.db2.gz UTDZNMVHYOFFBC-AUSIDOKSSA-N 1 0 395.551 3.664 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001263301628 1046699202 /nfs/dbraw/zinc/69/92/02/1046699202.db2.gz UTDZNMVHYOFFBC-XXBNENTESA-N 1 0 395.551 3.664 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301964450 1046764768 /nfs/dbraw/zinc/76/47/68/1046764768.db2.gz AFXDQTWSYOGUCM-CEXWTWQISA-N 1 0 386.588 3.900 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001301965167 1046764839 /nfs/dbraw/zinc/76/48/39/1046764839.db2.gz HVMZQLYCZNAJKD-YLJYHZDGSA-N 1 0 380.540 3.834 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301971707 1046769120 /nfs/dbraw/zinc/76/91/20/1046769120.db2.gz OVZGCDBWXBCPDB-SFHVURJKSA-N 1 0 386.588 3.729 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001301971634 1046769370 /nfs/dbraw/zinc/76/93/70/1046769370.db2.gz ONEJBWDFWPEKMP-RBUKOAKNSA-N 1 0 386.588 3.727 20 30 GHEDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC001302064354 1046799108 /nfs/dbraw/zinc/79/91/08/1046799108.db2.gz YCRCSTLCFIIVPD-UHFFFAOYSA-N 1 0 378.520 3.912 20 30 GHEDRO CC(C)C[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001302823180 1047125195 /nfs/dbraw/zinc/12/51/95/1047125195.db2.gz RDAAHEXZUHFZDP-OAQYLSRUSA-N 1 0 394.567 3.715 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[NH+]1CCCC1 ZINC001303637603 1047461383 /nfs/dbraw/zinc/46/13/83/1047461383.db2.gz ZBMGXXLSNICVPE-QGZVFWFLSA-N 1 0 391.523 3.651 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001304452120 1047681674 /nfs/dbraw/zinc/68/16/74/1047681674.db2.gz SGRBHDFKGHDLQJ-SFHVURJKSA-N 1 0 395.555 3.509 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@@H+](C)C(C)C ZINC001304534294 1047704653 /nfs/dbraw/zinc/70/46/53/1047704653.db2.gz MDEUBBYAQRHQFU-QFIPXVFZSA-N 1 0 380.540 3.724 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc(Br)cc2)cc1C#N ZINC001279143443 1047730146 /nfs/dbraw/zinc/73/01/46/1047730146.db2.gz UMNPIAIGYFIIJS-PMACEKPBSA-N 1 0 399.336 3.508 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCCC[NH+]1CCC(C)CC1 ZINC001304795858 1047771690 /nfs/dbraw/zinc/77/16/90/1047771690.db2.gz LQMNLKLKZUKRBZ-UHFFFAOYSA-N 1 0 380.540 3.607 20 30 GHEDRO Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304812433 1047779498 /nfs/dbraw/zinc/77/94/98/1047779498.db2.gz RGZIFDWYRUTAJW-JOCHJYFZSA-N 1 0 392.551 3.728 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCCC(F)(F)F)c1Cl ZINC001279370629 1047783730 /nfs/dbraw/zinc/78/37/30/1047783730.db2.gz SCPBEULDBFOWOO-RYUDHWBXSA-N 1 0 392.878 3.846 20 30 GHEDRO C[C@H]1C[C@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001304920860 1047808324 /nfs/dbraw/zinc/80/83/24/1047808324.db2.gz OTBLJWQYBJPLIU-ROUUACIJSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305024147 1047839599 /nfs/dbraw/zinc/83/95/99/1047839599.db2.gz WRQNQIXUIMYHTB-ZWKOTPCHSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305025900 1047840696 /nfs/dbraw/zinc/84/06/96/1047840696.db2.gz UZBDEIUENJHVKI-ZWKOTPCHSA-N 1 0 392.551 3.926 20 30 GHEDRO C[C@H]1CCC[N@H+](CCn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001305050223 1047857059 /nfs/dbraw/zinc/85/70/59/1047857059.db2.gz VCRKXGYGGOHVDT-CVDCTZTESA-N 1 0 398.599 3.873 20 30 GHEDRO CC1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CC2)CC1 ZINC001305107074 1047906639 /nfs/dbraw/zinc/90/66/39/1047906639.db2.gz XQYYSIUMLPIUNW-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO N#CC1(NC(=O)C23CC([NH2+]CCc4c(Cl)cccc4Cl)(C2)C3)CCC1 ZINC001280111096 1048084823 /nfs/dbraw/zinc/08/48/23/1048084823.db2.gz KNNLDIOFWDIXGU-UHFFFAOYSA-N 1 0 378.303 3.611 20 30 GHEDRO C=CCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1ccc2nsnc2c1 ZINC001280128613 1048095307 /nfs/dbraw/zinc/09/53/07/1048095307.db2.gz MIGHNTDKQMSUFO-HNNXBMFYSA-N 1 0 388.562 3.794 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001286284329 1048254333 /nfs/dbraw/zinc/25/43/33/1048254333.db2.gz BEKQPOHHSJXMEB-QZTJIDSGSA-N 1 0 390.535 3.759 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001286295855 1048261001 /nfs/dbraw/zinc/26/10/01/1048261001.db2.gz KEWHRKFEHSRSRG-MOPGFXCFSA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286342765 1048278963 /nfs/dbraw/zinc/27/89/63/1048278963.db2.gz DVAPKDQIDKKUJF-UHFFFAOYSA-N 1 0 381.524 3.715 20 30 GHEDRO C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001286379219 1048299931 /nfs/dbraw/zinc/29/99/31/1048299931.db2.gz KIRIWSGZVWWQLW-QFIPXVFZSA-N 1 0 391.563 3.540 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc3cccnc32)n1CCC[N@H+](C)C(C)C ZINC001286440432 1048322845 /nfs/dbraw/zinc/32/28/45/1048322845.db2.gz YMSKDYAUMHOIPV-UHFFFAOYSA-N 1 0 390.535 3.683 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2C)n1CC1CC[NH+](CCC)CC1 ZINC001286441018 1048323354 /nfs/dbraw/zinc/32/33/54/1048323354.db2.gz DSVSZFJCRVLOTF-UHFFFAOYSA-N 1 0 379.552 3.835 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001286454614 1048331050 /nfs/dbraw/zinc/33/10/50/1048331050.db2.gz LXLSQODNYQDIHQ-NRFANRHFSA-N 1 0 383.515 3.630 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001286519644 1048346343 /nfs/dbraw/zinc/34/63/43/1048346343.db2.gz ZCATWEWNXJEHGS-BPUDTRNYSA-N 1 0 391.563 3.879 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@H]1CCC[N@H+]1CC ZINC001286519836 1048346459 /nfs/dbraw/zinc/34/64/59/1048346459.db2.gz MNFHCDYUXJOKCB-VGOFRKELSA-N 1 0 381.499 3.561 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC[N@@H+](C)C(C)C ZINC001286519549 1048346750 /nfs/dbraw/zinc/34/67/50/1048346750.db2.gz GWSXKRFPGHQGCN-OAQYLSRUSA-N 1 0 385.943 3.931 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001286524010 1048349145 /nfs/dbraw/zinc/34/91/45/1048349145.db2.gz CBXUZZRUFGIQIY-NFBKMPQASA-N 1 0 383.584 3.735 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CCC[NH+]1CCCC1 ZINC001286567889 1048367271 /nfs/dbraw/zinc/36/72/71/1048367271.db2.gz YDHHFAXQHSOELE-UHFFFAOYSA-N 1 0 383.540 3.842 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001286581667 1048374993 /nfs/dbraw/zinc/37/49/93/1048374993.db2.gz MSDICIBHMIXALI-PMACEKPBSA-N 1 0 389.588 3.552 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286655960 1048423766 /nfs/dbraw/zinc/42/37/66/1048423766.db2.gz UJDDFQIMXOPFDA-MRXNPFEDSA-N 1 0 383.515 3.969 20 30 GHEDRO C=CCCOCCn1c([C@H](C)CC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286706044 1048465080 /nfs/dbraw/zinc/46/50/80/1048465080.db2.gz JFZNBDHOPRWJQK-LJQANCHMSA-N 1 0 389.588 3.839 20 30 GHEDRO C=CCCOCCn1c(CC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286712619 1048468813 /nfs/dbraw/zinc/46/88/13/1048468813.db2.gz FBGGNTSZTZVUEX-PMACEKPBSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001286723542 1048481228 /nfs/dbraw/zinc/48/12/28/1048481228.db2.gz RSVOAIPKUVXJNT-IEBWSBKVSA-N 1 0 387.528 3.818 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001286725022 1048482280 /nfs/dbraw/zinc/48/22/80/1048482280.db2.gz XMECQRDXXVDNJC-LJQANCHMSA-N 1 0 383.515 3.647 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+](C(C)C)C(C)C ZINC001286729542 1048486100 /nfs/dbraw/zinc/48/61/00/1048486100.db2.gz XRUXOSXREYMKCL-RTBURBONSA-N 1 0 391.604 3.938 20 30 GHEDRO C=CCN(c1nnc(-c2ccccc2OC)n1CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC001286733547 1048491263 /nfs/dbraw/zinc/49/12/63/1048491263.db2.gz CJWJIHSLQYXWIJ-QGZVFWFLSA-N 1 0 381.524 3.593 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C[N@@H+](C)CC)c1)C1CC1 ZINC001286738912 1048497056 /nfs/dbraw/zinc/49/70/56/1048497056.db2.gz IQSSTAQGGJRGCT-OAQYLSRUSA-N 1 0 395.551 3.784 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CC[NH+]1CCCCC1 ZINC001286759303 1048512390 /nfs/dbraw/zinc/51/23/90/1048512390.db2.gz NZSDKFLYNSZKFZ-UHFFFAOYSA-N 1 0 383.515 3.672 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)[NH+](C)C ZINC001286762289 1048514936 /nfs/dbraw/zinc/51/49/36/1048514936.db2.gz DCKCXUDCWDQRFZ-CTNGQTDRSA-N 1 0 397.567 3.705 20 30 GHEDRO C=CCSCCn1c(C(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286822164 1048536783 /nfs/dbraw/zinc/53/67/83/1048536783.db2.gz BSFHSDLRPJFPQZ-UHFFFAOYSA-N 1 0 377.602 3.775 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286963601 1048555132 /nfs/dbraw/zinc/55/51/32/1048555132.db2.gz UVLRZVWDRDFGRJ-HOTGVXAUSA-N 1 0 398.942 3.679 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001287093774 1048595651 /nfs/dbraw/zinc/59/56/51/1048595651.db2.gz FECLSOJWRNLHJF-UHFFFAOYSA-N 1 0 386.588 3.828 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001287405617 1048760455 /nfs/dbraw/zinc/76/04/55/1048760455.db2.gz CCSQNGCCJBDMQK-LJQANCHMSA-N 1 0 386.588 3.729 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)C[C@H](C)C#N ZINC001306723027 1048852510 /nfs/dbraw/zinc/85/25/10/1048852510.db2.gz NFYTWXFVNUGXOB-MOPGFXCFSA-N 1 0 395.555 3.591 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)cc1 ZINC001306918798 1048959151 /nfs/dbraw/zinc/95/91/51/1048959151.db2.gz FJGABROMDKHVQF-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(CCC#N)CC2CC2)C1 ZINC001287986341 1048961986 /nfs/dbraw/zinc/96/19/86/1048961986.db2.gz YQIGTGKVIVGONX-LJQANCHMSA-N 1 0 395.555 3.524 20 30 GHEDRO CCc1nc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC001306968747 1048984760 /nfs/dbraw/zinc/98/47/60/1048984760.db2.gz QPWMTVZRHNECNV-HNNXBMFYSA-N 1 0 375.398 3.616 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(CC#N)CC2)nnc1C(C)(C)C ZINC001307067589 1049051208 /nfs/dbraw/zinc/05/12/08/1049051208.db2.gz LWBNUBOFXVZHQG-LJQANCHMSA-N 1 0 386.588 3.970 20 30 GHEDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc(C#N)c(Br)c2F)cc1 ZINC001307071549 1049053297 /nfs/dbraw/zinc/05/32/97/1049053297.db2.gz KIOWIRMCJPUJLO-GOSISDBHSA-N 1 0 392.272 3.840 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001288508442 1049118301 /nfs/dbraw/zinc/11/83/01/1049118301.db2.gz SSRZIYOWZZMNKL-QUCCMNQESA-N 1 0 394.567 3.979 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N1CC[C@@](F)(C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001288636365 1049175453 /nfs/dbraw/zinc/17/54/53/1049175453.db2.gz HANAGPICWZHCPR-VGOFRKELSA-N 1 0 396.514 3.508 20 30 GHEDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC001307474634 1049312577 /nfs/dbraw/zinc/31/25/77/1049312577.db2.gz YNDJPMPLCMWRJZ-OAHLLOKOSA-N 1 0 382.508 3.891 20 30 GHEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001307484780 1049324197 /nfs/dbraw/zinc/32/41/97/1049324197.db2.gz QVNFHAKDSZSLEC-HXUWFJFHSA-N 1 0 379.508 3.973 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1 ZINC001307489704 1049330823 /nfs/dbraw/zinc/33/08/23/1049330823.db2.gz MDMPBMOUDGZEDA-LSDHHAIUSA-N 1 0 380.492 3.643 20 30 GHEDRO CCCc1ccc([C@@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C(C)C)cc1 ZINC001307602691 1049442184 /nfs/dbraw/zinc/44/21/84/1049442184.db2.gz FFTLOINJPXJZEL-UPVQGACJSA-N 1 0 398.595 3.618 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC[N@H+](C)Cc2ccccc2)o1 ZINC001289531779 1049527386 /nfs/dbraw/zinc/52/73/86/1049527386.db2.gz PBWJPWRXLIRXRT-KRWDZBQOSA-N 1 0 392.507 3.574 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC001307764036 1049576978 /nfs/dbraw/zinc/57/69/78/1049576978.db2.gz VLPWHVAEIQZFCK-DSKINZAPSA-N 1 0 380.488 3.780 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+]C2(c3ccccc3Br)CCCCC2)C1=O ZINC001307768501 1049579974 /nfs/dbraw/zinc/57/99/74/1049579974.db2.gz UGESEJCFPMQQCU-QGZVFWFLSA-N 1 0 377.326 3.985 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001307840058 1049626259 /nfs/dbraw/zinc/62/62/59/1049626259.db2.gz RXZHVDHUGHDJGS-VQTJNVASSA-N 1 0 397.588 3.858 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC001307876596 1049659413 /nfs/dbraw/zinc/65/94/13/1049659413.db2.gz BNAJJIHECNKRDM-NRFANRHFSA-N 1 0 379.479 3.658 20 30 GHEDRO CC[C@H](CO)[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1ccccc1 ZINC001308017600 1049766385 /nfs/dbraw/zinc/76/63/85/1049766385.db2.gz YIRXPGBYWQESAK-JOCHJYFZSA-N 1 0 393.531 3.823 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001290309439 1049797451 /nfs/dbraw/zinc/79/74/51/1049797451.db2.gz NCKWRFQEJDEGFC-OAQYLSRUSA-N 1 0 382.504 3.855 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 ZINC001308086614 1049833232 /nfs/dbraw/zinc/83/32/32/1049833232.db2.gz XPHLUVILVDZBPC-MRXNPFEDSA-N 1 0 380.517 3.712 20 30 GHEDRO COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001308113028 1049857720 /nfs/dbraw/zinc/85/77/20/1049857720.db2.gz APTYLSBBWYQMFV-SFHVURJKSA-N 1 0 391.515 3.966 20 30 GHEDRO Cc1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001290744306 1049915641 /nfs/dbraw/zinc/91/56/41/1049915641.db2.gz YOXMTICYIZNIGT-UHFFFAOYSA-N 1 0 392.551 3.751 20 30 GHEDRO CCOc1ccc(C2(C[NH2+]Cc3cc(C#N)ccc3N(C)C)CCOCC2)cc1 ZINC001308225022 1049919406 /nfs/dbraw/zinc/91/94/06/1049919406.db2.gz DVZPDCPHCBPMKN-UHFFFAOYSA-N 1 0 393.531 3.861 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1OC ZINC001308306601 1049944542 /nfs/dbraw/zinc/94/45/42/1049944542.db2.gz XTZIHEHZGFQBSN-RBUKOAKNSA-N 1 0 394.943 3.646 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)[C@H]1CCCO1 ZINC001308377775 1049961719 /nfs/dbraw/zinc/96/17/19/1049961719.db2.gz NQHRTUNSFONLQO-RRFJBIMHSA-N 1 0 381.316 3.829 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC001308383561 1049963874 /nfs/dbraw/zinc/96/38/74/1049963874.db2.gz LZHSAYHTARWCCE-IBGZPJMESA-N 1 0 388.305 3.901 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(I)c(C)c1 ZINC001308387660 1049964221 /nfs/dbraw/zinc/96/42/21/1049964221.db2.gz FDOBDBDSVVNSEQ-UHFFFAOYSA-N 1 0 391.252 3.901 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1 ZINC001308776992 1050090416 /nfs/dbraw/zinc/09/04/16/1050090416.db2.gz MLBHAEJFWAXPHL-QGZVFWFLSA-N 1 0 384.907 3.879 20 30 GHEDRO C=CCC1([NH2+]C[C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)CCCC1 ZINC001308863076 1050128881 /nfs/dbraw/zinc/12/88/81/1050128881.db2.gz BNJJTGGVQANIIR-SFHVURJKSA-N 1 0 390.572 3.890 20 30 GHEDRO C#CC[C@@H](COC)[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308888822 1050140850 /nfs/dbraw/zinc/14/08/50/1050140850.db2.gz VZTXCNJLAPATOY-KDOFPFPSSA-N 1 0 376.294 3.998 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(F)cc1 ZINC001327532601 1050208376 /nfs/dbraw/zinc/20/83/76/1050208376.db2.gz WWVMKEUZEKXSED-PKOBYXMFSA-N 1 0 375.394 3.834 20 30 GHEDRO C#Cc1ccc(S(=O)(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC001309088593 1050339840 /nfs/dbraw/zinc/33/98/40/1050339840.db2.gz SPXVQLZQWRCSFB-WIYYLYMNSA-N 1 0 382.529 3.514 20 30 GHEDRO C=C[C@H](COC)NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001328123015 1050402042 /nfs/dbraw/zinc/40/20/42/1050402042.db2.gz VUEGBELIKSGZMH-RTWAWAEBSA-N 1 0 385.552 3.520 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(F)c(C#N)c(F)c3)cc2)CC1 ZINC001328275125 1050458669 /nfs/dbraw/zinc/45/86/69/1050458669.db2.gz XOBDQEFMQHNOAR-UHFFFAOYSA-N 1 0 384.430 3.619 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001309287026 1050558164 /nfs/dbraw/zinc/55/81/64/1050558164.db2.gz MMQZISAIVTYWEN-GOSISDBHSA-N 1 0 389.565 3.532 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001309455879 1050732678 /nfs/dbraw/zinc/73/26/78/1050732678.db2.gz CUNLUPHBGLAJQQ-QHCPKHFHSA-N 1 0 398.572 3.996 20 30 GHEDRO Cc1ccc(S(=O)(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(C#N)c1 ZINC001309756373 1050957127 /nfs/dbraw/zinc/95/71/27/1050957127.db2.gz HGBFBUFKIKBCNW-NRFANRHFSA-N 1 0 397.544 3.590 20 30 GHEDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001330319739 1050998977 /nfs/dbraw/zinc/99/89/77/1050998977.db2.gz UHJUSUJSQQMZJX-XERBYJISSA-N 1 0 375.516 3.680 20 30 GHEDRO C[NH+]1CCC(CNC(=O)Nc2ccc(C#N)c(Cl)c2)(c2ccccc2)CC1 ZINC001310043783 1051117358 /nfs/dbraw/zinc/11/73/58/1051117358.db2.gz WBMZODIOFGUISZ-UHFFFAOYSA-N 1 0 382.895 3.997 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001310168765 1051203907 /nfs/dbraw/zinc/20/39/07/1051203907.db2.gz WMSTXKDDMGBLME-FQEVSTJZSA-N 1 0 384.524 3.521 20 30 GHEDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001310350272 1051302090 /nfs/dbraw/zinc/30/20/90/1051302090.db2.gz HRROKQZJGKNAGY-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C[N@@H+]1C[C@@]23CN(C(=O)Nc4ccc(C#N)c(C(F)(F)F)c4)C[C@]2(C1)CCCC3 ZINC001310361382 1051306884 /nfs/dbraw/zinc/30/68/84/1051306884.db2.gz SWIRDVRMWGHLCL-KDURUIRLSA-N 1 0 392.425 3.917 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001332135157 1051463415 /nfs/dbraw/zinc/46/34/15/1051463415.db2.gz KSHUCJQKRXZMAG-KRWDZBQOSA-N 1 0 382.430 3.651 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](c2cccc3ccccc32)C(F)(F)F)CC1 ZINC001310590915 1051470289 /nfs/dbraw/zinc/47/02/89/1051470289.db2.gz SIPCFTYUIVHIMO-IBGZPJMESA-N 1 0 389.421 3.840 20 30 GHEDRO Cc1ncc(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001332389491 1051510276 /nfs/dbraw/zinc/51/02/76/1051510276.db2.gz CDOVKQDSJKAQJZ-CQSZACIVSA-N 1 0 378.542 3.861 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C[C@H](C)[N@H+]1C ZINC001310722992 1051551222 /nfs/dbraw/zinc/55/12/22/1051551222.db2.gz ZXFATCMNZMSEKK-IYBDPMFKSA-N 1 0 394.523 3.598 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)C(C)C ZINC001310776186 1051582631 /nfs/dbraw/zinc/58/26/31/1051582631.db2.gz ROMQHYZCRLBISX-FQEVSTJZSA-N 1 0 396.539 3.611 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)[NH+]2CCCC2)o1 ZINC001310836349 1051632601 /nfs/dbraw/zinc/63/26/01/1051632601.db2.gz HZAKDVBBZGNVRN-HXUWFJFHSA-N 1 0 395.507 3.793 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC001310836906 1051634079 /nfs/dbraw/zinc/63/40/79/1051634079.db2.gz MYZYSOJTZJLOJC-HXUWFJFHSA-N 1 0 391.519 3.719 20 30 GHEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001333374250 1051727674 /nfs/dbraw/zinc/72/76/74/1051727674.db2.gz CGNKNBVPDLJZLC-WWDZGPRUSA-N 1 0 375.538 3.549 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)Cc1ccccc1 ZINC001311136486 1051894975 /nfs/dbraw/zinc/89/49/75/1051894975.db2.gz RRQPTOPGUAPKMH-QGZVFWFLSA-N 1 0 386.446 3.911 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(C#N)c(F)cc1F ZINC001311137499 1051896783 /nfs/dbraw/zinc/89/67/83/1051896783.db2.gz NGQDPGDRCFGTQB-IFXJQAMLSA-N 1 0 384.430 3.869 20 30 GHEDRO COc1ncc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1C#N ZINC001311195011 1051933280 /nfs/dbraw/zinc/93/32/80/1051933280.db2.gz OZMUBGPQUALHHV-KRWDZBQOSA-N 1 0 399.520 3.618 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001334750939 1051973272 /nfs/dbraw/zinc/97/32/72/1051973272.db2.gz VUQQJKUKTHSQNO-INMHGKMJSA-N 1 0 390.578 3.782 20 30 GHEDRO C#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC001311263401 1051976296 /nfs/dbraw/zinc/97/62/96/1051976296.db2.gz ZCJPLWNXKDRTCV-IBGZPJMESA-N 1 0 397.906 3.734 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCOc2c(F)cccc21)C(C)C ZINC001311387992 1052080446 /nfs/dbraw/zinc/08/04/46/1052080446.db2.gz KNGMSAAFNSDKGL-RBUKOAKNSA-N 1 0 375.488 3.647 20 30 GHEDRO O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001335460386 1052108168 /nfs/dbraw/zinc/10/81/68/1052108168.db2.gz NOXKLYPIOUNOEZ-WOJBJXKFSA-N 1 0 377.406 3.521 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001335634216 1052142476 /nfs/dbraw/zinc/14/24/76/1052142476.db2.gz UXLRTBDSCXVRGT-VYDXJSESSA-N 1 0 390.578 3.640 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC001311639124 1052293944 /nfs/dbraw/zinc/29/39/44/1052293944.db2.gz WCHXEWDRKCBXPH-YJBOKZPZSA-N 1 0 392.341 3.545 20 30 GHEDRO C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311823330 1052422059 /nfs/dbraw/zinc/42/20/59/1052422059.db2.gz URJHHCVUYJDDCW-IEBWSBKVSA-N 1 0 388.531 3.779 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)c(F)c1 ZINC001337221304 1052427448 /nfs/dbraw/zinc/42/74/48/1052427448.db2.gz NKMWDMZDOLJPNN-ZDUSSCGKSA-N 1 0 397.841 3.826 20 30 GHEDRO C=CCSCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001312482890 1052760773 /nfs/dbraw/zinc/76/07/73/1052760773.db2.gz CDMPPUNCFZFFCD-HNNXBMFYSA-N 1 0 376.353 3.815 20 30 GHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001312739944 1052854044 /nfs/dbraw/zinc/85/40/44/1052854044.db2.gz KDICFXBQSJXBBN-BHDDXSALSA-N 1 0 382.552 3.978 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC001313375755 1053036359 /nfs/dbraw/zinc/03/63/59/1053036359.db2.gz PGLPCELGTVVYSU-BTDURJGWSA-N 1 0 380.536 3.875 20 30 GHEDRO COC1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCCCC1 ZINC001313392492 1053041322 /nfs/dbraw/zinc/04/13/22/1053041322.db2.gz URCUEZGKQGFTNI-UHFFFAOYSA-N 1 0 398.551 3.515 20 30 GHEDRO CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001313626343 1053147442 /nfs/dbraw/zinc/14/74/42/1053147442.db2.gz LQYSIQHLFIQZFM-UHFFFAOYSA-N 1 0 380.540 3.785 20 30 GHEDRO [NH3+][C@H](C(=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC001342433373 1053166967 /nfs/dbraw/zinc/16/69/67/1053166967.db2.gz ZPCNCGGIBCKOQQ-AAEUAGOBSA-N 1 0 384.295 3.598 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CC2)C1 ZINC001313703427 1053182894 /nfs/dbraw/zinc/18/28/94/1053182894.db2.gz WQPGYMDPOALBEI-IBGZPJMESA-N 1 0 392.551 3.785 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001342923499 1053437963 /nfs/dbraw/zinc/43/79/63/1053437963.db2.gz FKZMWKFIGJYONQ-PMACEKPBSA-N 1 0 390.535 3.582 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC(OC)CC1 ZINC001343007227 1053492216 /nfs/dbraw/zinc/49/22/16/1053492216.db2.gz LOZYWMAWHATOTQ-HXUWFJFHSA-N 1 0 387.572 3.939 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001343021056 1053502679 /nfs/dbraw/zinc/50/26/79/1053502679.db2.gz DHKWXYHSXQLFGD-UHFFFAOYSA-N 1 0 381.615 3.643 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(N2CCC(C#N)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001314656415 1053552776 /nfs/dbraw/zinc/55/27/76/1053552776.db2.gz YHOUWMDKYLXRJE-IBGZPJMESA-N 1 0 380.540 3.618 20 30 GHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C2CCC1(C)CC2 ZINC001314662464 1053555691 /nfs/dbraw/zinc/55/56/91/1053555691.db2.gz DXQWRARCXKOLEI-UHFFFAOYSA-N 1 0 392.551 3.926 20 30 GHEDRO CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001314757703 1053592990 /nfs/dbraw/zinc/59/29/90/1053592990.db2.gz QYEFNQUUEWTOHF-UHFFFAOYSA-N 1 0 390.491 3.532 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001343314471 1053698442 /nfs/dbraw/zinc/69/84/42/1053698442.db2.gz GAIGKPDJTDGLQZ-MAUKXSAKSA-N 1 0 398.382 3.684 20 30 GHEDRO C=C(C)Cn1c(C2CCCCC2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001343411277 1053757310 /nfs/dbraw/zinc/75/73/10/1053757310.db2.gz NYPXEUXWEYODLB-UHFFFAOYSA-N 1 0 387.572 3.593 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001343543331 1053858619 /nfs/dbraw/zinc/85/86/19/1053858619.db2.gz QSEMJZFQBOKZHU-JOCHJYFZSA-N 1 0 393.539 3.516 20 30 GHEDRO CC(C)[C@H]1CN(c2nnc([C@H](C)CCC#N)n2Cc2cccs2)CC[N@@H+]1C ZINC001343585609 1053907318 /nfs/dbraw/zinc/90/73/18/1053907318.db2.gz JPFGYQRXHCSIFZ-SJLPKXTDSA-N 1 0 386.569 3.572 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001343928572 1054123541 /nfs/dbraw/zinc/12/35/41/1054123541.db2.gz QNIPDIQTJGRRFP-FQEVSTJZSA-N 1 0 388.604 3.568 20 30 GHEDRO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001343983635 1054160314 /nfs/dbraw/zinc/16/03/14/1054160314.db2.gz BPWPYQHWEMTDLH-QGZVFWFLSA-N 1 0 398.580 3.575 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Nc2ccccc2)CC1)C(C)C ZINC001318162942 1054463227 /nfs/dbraw/zinc/46/32/27/1054463227.db2.gz LIMOPUDLAXAXNY-QFIPXVFZSA-N 1 0 384.568 3.971 20 30 GHEDRO N#CCOc1cccc(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC001318617795 1054753426 /nfs/dbraw/zinc/75/34/26/1054753426.db2.gz VRRJGKBPIHILCK-QFIPXVFZSA-N 1 0 392.503 3.615 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)c1nnc(CC(C)(C)C#N)n1CC1CC1 ZINC001345150445 1054920816 /nfs/dbraw/zinc/92/08/16/1054920816.db2.gz GDYGTBRNBHEOTG-UHFFFAOYSA-N 1 0 386.588 3.585 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)cc1OC ZINC001319727298 1055427551 /nfs/dbraw/zinc/42/75/51/1055427551.db2.gz QTEQUPKAJCSZEA-FQEVSTJZSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC001320037466 1055613234 /nfs/dbraw/zinc/61/32/34/1055613234.db2.gz FLMDPGZQHZLZHH-VXNXHJTFSA-N 1 0 381.516 3.739 20 30 GHEDRO C=C[C@@H](COC)NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001320425780 1055799093 /nfs/dbraw/zinc/79/90/93/1055799093.db2.gz CMBKIPLSJNUDFY-QFIPXVFZSA-N 1 0 393.531 3.950 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c(Cl)c1 ZINC001320701424 1055933358 /nfs/dbraw/zinc/93/33/58/1055933358.db2.gz FXVMTRZCFHSELM-UHFFFAOYSA-N 1 0 393.874 3.720 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001320720470 1055939820 /nfs/dbraw/zinc/93/98/20/1055939820.db2.gz HKBWTHQJRNBDNH-UHFFFAOYSA-N 1 0 382.508 3.602 20 30 GHEDRO C=CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899743 1056005948 /nfs/dbraw/zinc/00/59/48/1056005948.db2.gz WIEPQFPIVYPABH-GXTWGEPZSA-N 1 0 393.459 3.692 20 30 GHEDRO Cc1ccc(OCCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C ZINC001353930648 1056143512 /nfs/dbraw/zinc/14/35/12/1056143512.db2.gz YZZSDCIJZSMNQI-UHFFFAOYSA-N 1 0 393.531 3.925 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CC[N@H+](C)C1CCCCC1 ZINC001300565677 1056495317 /nfs/dbraw/zinc/49/53/17/1056495317.db2.gz UFGNNOFLPYMTAY-UHFFFAOYSA-N 1 0 393.535 3.574 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300613950 1056661399 /nfs/dbraw/zinc/66/13/99/1056661399.db2.gz VSGGZUDCLDKLKK-LJQANCHMSA-N 1 0 379.533 3.769 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001300622222 1056696601 /nfs/dbraw/zinc/69/66/01/1056696601.db2.gz YNGXBZADTRETDQ-NRFANRHFSA-N 1 0 388.519 3.570 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001300641946 1056751677 /nfs/dbraw/zinc/75/16/77/1056751677.db2.gz GNJJHFAPBSQOHM-FQEVSTJZSA-N 1 0 397.542 3.912 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccn(CCC#N)n2)CCCCC1 ZINC001200749830 1056887942 /nfs/dbraw/zinc/88/79/42/1056887942.db2.gz UHNNZWKAOFMXKW-UHFFFAOYSA-N 1 0 394.523 3.753 20 30 GHEDRO COc1cc(C#N)ccc1OCCCc1nnc([C@@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001322935394 1056892664 /nfs/dbraw/zinc/89/26/64/1056892664.db2.gz IKOFPQGILZPMGU-KRWDZBQOSA-N 1 0 398.507 3.797 20 30 GHEDRO N#CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324349035 1057117692 /nfs/dbraw/zinc/11/76/92/1057117692.db2.gz RSMUBWGWOCKJQK-SEJPIABJSA-N 1 0 389.499 3.904 20 30 GHEDRO N#Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1O ZINC001325151071 1057281237 /nfs/dbraw/zinc/28/12/37/1057281237.db2.gz KQEYDWUKPYBESE-SEJPIABJSA-N 1 0 375.472 3.579 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H](CC)C1 ZINC001355864471 1057298104 /nfs/dbraw/zinc/29/81/04/1057298104.db2.gz WRSNYGWDVKTCTK-UYAOXDASSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001355864389 1057298219 /nfs/dbraw/zinc/29/82/19/1057298219.db2.gz UZMDKOLYGICXPR-WSTZPKSXSA-N 1 0 387.572 3.652 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000848918697 1057420599 /nfs/dbraw/zinc/42/05/99/1057420599.db2.gz ISQBBVZSSIQGMH-QGZVFWFLSA-N 1 0 385.508 3.810 20 30 GHEDRO O=S(=O)(CC[NH+]=C(Nc1ccccc1)N1CCCCC1)CCc1ccccc1 ZINC000848988386 1057491022 /nfs/dbraw/zinc/49/10/22/1057491022.db2.gz VXFFLXBFWTYINC-UHFFFAOYSA-N 1 0 399.560 3.598 20 30 GHEDRO CCCC[NH+]=C(NCCOc1cccc(NC(C)=O)c1)NCc1ccc(C)cc1 ZINC000849068909 1057579130 /nfs/dbraw/zinc/57/91/30/1057579130.db2.gz WZDWTSGSNDZWHV-UHFFFAOYSA-N 1 0 396.535 3.868 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCNc1ccc(C#N)cn1)c1ccc(Cl)cc1Cl ZINC000849071349 1057580654 /nfs/dbraw/zinc/58/06/54/1057580654.db2.gz KAFYIHVXMWKKKR-NSHDSACASA-N 1 0 377.279 3.547 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000849070546 1057580777 /nfs/dbraw/zinc/58/07/77/1057580777.db2.gz XIOFTNMLXBUZRM-UHFFFAOYSA-N 1 0 394.563 3.867 20 30 GHEDRO c1ccc(NC(=[NH+]Cc2ccncc2OC[C@@H]2CCOC2)N2CCCCC2)cc1 ZINC000849077326 1057583576 /nfs/dbraw/zinc/58/35/76/1057583576.db2.gz CBVWQMNSFKUGPY-LJQANCHMSA-N 1 0 394.519 3.951 20 30 GHEDRO CCc1ccc(C#CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC001440368130 1058502597 /nfs/dbraw/zinc/50/25/97/1058502597.db2.gz FDQBHLQFGWHYTP-QHCPKHFHSA-N 1 0 376.500 3.562 20 30 GHEDRO C=CCC[C@H](C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC001338464557 1058582469 /nfs/dbraw/zinc/58/24/69/1058582469.db2.gz LEHIVJURAJYPIR-DEOSSOPVSA-N 1 0 391.559 3.800 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1C ZINC001338686892 1058731679 /nfs/dbraw/zinc/73/16/79/1058731679.db2.gz PHMOEJDLEBVYGQ-NRFANRHFSA-N 1 0 395.551 3.714 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001338866708 1058842332 /nfs/dbraw/zinc/84/23/32/1058842332.db2.gz DTRZALGRUPWZLC-FPOVZHCZSA-N 1 0 392.551 3.830 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C#N)CCCOC1)c1ccc(C(F)(F)F)cc1 ZINC001442302061 1058945820 /nfs/dbraw/zinc/94/58/20/1058945820.db2.gz AAWJDSBWSBRQFW-IEBWSBKVSA-N 1 0 397.441 3.525 20 30 GHEDRO C=CCn1c(N2CCC([NH2+]C(C)C)CC2)nnc1C(F)(F)c1ccccc1F ZINC001339135546 1058975823 /nfs/dbraw/zinc/97/58/23/1058975823.db2.gz BKDJCBBJTVXLSG-UHFFFAOYSA-N 1 0 393.457 3.710 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001339139862 1058978518 /nfs/dbraw/zinc/97/85/18/1058978518.db2.gz MGHSMJSYCIRAEG-HKUYNNGSSA-N 1 0 375.561 3.510 20 30 GHEDRO C=CCN(CCc1ccccc1)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001442752510 1059001485 /nfs/dbraw/zinc/00/14/85/1059001485.db2.gz IFCWYZBWMOEJHN-UHFFFAOYSA-N 1 0 391.559 3.764 20 30 GHEDRO C=CCn1c(Cc2cccc3cnccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001339232295 1059026742 /nfs/dbraw/zinc/02/67/42/1059026742.db2.gz BMIJVSKBRFYJFP-UHFFFAOYSA-N 1 0 390.535 3.524 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001339249997 1059039753 /nfs/dbraw/zinc/03/97/53/1059039753.db2.gz LHCLWKNODQQCEY-KRXYWNSISA-N 1 0 391.510 3.505 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F)C(C)C ZINC001443427640 1059127983 /nfs/dbraw/zinc/12/79/83/1059127983.db2.gz NCTSWCHQVLJVOC-ICSRJNTNSA-N 1 0 390.474 3.911 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccn(-c2ccc(Cl)cc2)n1)C(C)C ZINC001443426641 1059128396 /nfs/dbraw/zinc/12/83/96/1059128396.db2.gz KVWFRBQGBXLNGM-FQEVSTJZSA-N 1 0 386.927 3.954 20 30 GHEDRO C=CCn1c(CSC(C)(C)C)nnc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001339567171 1059307280 /nfs/dbraw/zinc/30/72/80/1059307280.db2.gz KXBXILXWXLJAAP-UHFFFAOYSA-N 1 0 389.573 3.703 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(OCC#N)c2)[C@@H]1c1cccs1 ZINC001339615342 1059348764 /nfs/dbraw/zinc/34/87/64/1059348764.db2.gz ZUMFBAXQOSGOQT-YLJYHZDGSA-N 1 0 398.532 3.533 20 30 GHEDRO Cn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001339866517 1059524837 /nfs/dbraw/zinc/52/48/37/1059524837.db2.gz MJINPRPHBSLDFR-NRFANRHFSA-N 1 0 398.514 3.587 20 30 GHEDRO C=CCn1c(C[C@H](C)SCC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340528851 1059965221 /nfs/dbraw/zinc/96/52/21/1059965221.db2.gz DFBSIJAYOFDVBZ-YQVWRLOYSA-N 1 0 389.613 3.601 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2Cc2ccccc2)CC1 ZINC001340558739 1059975256 /nfs/dbraw/zinc/97/52/56/1059975256.db2.gz QPVFSLFJWNEXBA-RTWAWAEBSA-N 1 0 392.551 3.510 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 ZINC001340601171 1059990583 /nfs/dbraw/zinc/99/05/83/1059990583.db2.gz SVMSLRPWYHFXAV-HXUWFJFHSA-N 1 0 381.524 3.623 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1c(Cl)cc(F)cc1Br ZINC001448871014 1060288057 /nfs/dbraw/zinc/28/80/57/1060288057.db2.gz FBFBBUVYBHIVOK-UHFFFAOYSA-N 1 0 377.685 3.822 20 30 GHEDRO CCn1c(CCCC#N)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001341186585 1060478070 /nfs/dbraw/zinc/47/80/70/1060478070.db2.gz LJOVJRIATQLQQX-NHCUHLMSSA-N 1 0 392.551 3.635 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001450489012 1060603182 /nfs/dbraw/zinc/60/31/82/1060603182.db2.gz PBZHXYBHVHISPE-UHFFFAOYSA-N 1 0 381.423 3.514 20 30 GHEDRO C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001342114662 1061065507 /nfs/dbraw/zinc/06/55/07/1061065507.db2.gz NIEBUNFYPNFUQY-BQFCYCMXSA-N 1 0 375.586 3.731 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001342206956 1061134837 /nfs/dbraw/zinc/13/48/37/1061134837.db2.gz ANXLDBCZCINBSU-UHFFFAOYSA-N 1 0 380.949 3.552 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C3CC3)[nH]n2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001346174498 1061427699 /nfs/dbraw/zinc/42/76/99/1061427699.db2.gz RIDAJKJWVUJFBZ-UHFFFAOYSA-N 1 0 395.555 3.576 20 30 GHEDRO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001346444806 1061569273 /nfs/dbraw/zinc/56/92/73/1061569273.db2.gz RHUQQROVXRPRAW-FQEVSTJZSA-N 1 0 375.516 3.780 20 30 GHEDRO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001346444823 1061569634 /nfs/dbraw/zinc/56/96/34/1061569634.db2.gz RHUQQROVXRPRAW-HXUWFJFHSA-N 1 0 375.516 3.780 20 30 GHEDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(F)c(C#N)c1N ZINC001454347467 1061732697 /nfs/dbraw/zinc/73/26/97/1061732697.db2.gz FAGSIJXDFBJWJK-SJLPKXTDSA-N 1 0 380.467 3.766 20 30 GHEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC#N)[NH+](C)C ZINC001545812366 1062018133 /nfs/dbraw/zinc/01/81/33/1062018133.db2.gz NDVXXQWBNXKPAG-PXNSSMCTSA-N 1 0 397.571 3.753 20 30 GHEDRO CCCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(OC)c1 ZINC001435081830 1062280780 /nfs/dbraw/zinc/28/07/80/1062280780.db2.gz TWGITTIUEOCEBD-UHFFFAOYSA-N 1 0 395.503 3.560 20 30 GHEDRO N#C[C@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C3CCCC3)n2CC2CC2)C1 ZINC001347925525 1062784337 /nfs/dbraw/zinc/78/43/37/1062784337.db2.gz RBKMCOGOXYADIG-UYAOXDASSA-N 1 0 382.556 3.898 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001456692915 1062815259 /nfs/dbraw/zinc/81/52/59/1062815259.db2.gz VCHOVKMHUOLALT-UHFFFAOYSA-N 1 0 394.519 3.574 20 30 GHEDRO N#Cc1cccc2[nH]cc(C(=O)Nc3ccc(N4CC[N@@H+]5CCC[C@H]5C4)cc3)c21 ZINC001348132269 1062931203 /nfs/dbraw/zinc/93/12/03/1062931203.db2.gz YDGBRIQQTNWQNX-IBGZPJMESA-N 1 0 385.471 3.576 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC001457567606 1063251956 /nfs/dbraw/zinc/25/19/56/1063251956.db2.gz PWEOSNWCQMYVQG-UHFFFAOYSA-N 1 0 388.515 3.959 20 30 GHEDRO C#CCCOc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)cc1 ZINC001437020769 1063740088 /nfs/dbraw/zinc/74/00/88/1063740088.db2.gz NUTLXQDGOZWBIJ-RPWUZVMVSA-N 1 0 388.511 3.970 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC001349510503 1063760588 /nfs/dbraw/zinc/76/05/88/1063760588.db2.gz PUIHHQOESALZPS-GOSISDBHSA-N 1 0 375.538 3.683 20 30 GHEDRO CC[C@@H](C#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001437153533 1063772035 /nfs/dbraw/zinc/77/20/35/1063772035.db2.gz SJQATRZLDHOWRA-WMTXJRDZSA-N 1 0 375.516 3.837 20 30 GHEDRO C[C@H](CSC(F)(F)F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001437243070 1063792826 /nfs/dbraw/zinc/79/28/26/1063792826.db2.gz KIWBDDGRTAVIQT-CYBMUJFWSA-N 1 0 385.455 3.528 20 30 GHEDRO C[N@@H+]1C[C@@]23CN(c4cc(Br)c(C#N)cc4F)C[C@]2(C1)CCCC3 ZINC001458718308 1063925143 /nfs/dbraw/zinc/92/51/43/1063925143.db2.gz PNETWHMPVXSQSA-HDICACEKSA-N 1 0 378.289 3.772 20 30 GHEDRO CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C1 ZINC001546105054 1063966673 /nfs/dbraw/zinc/96/66/73/1063966673.db2.gz SFILCHGCRXFFCN-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC001438250345 1064017350 /nfs/dbraw/zinc/01/73/50/1064017350.db2.gz NOXQCIBUBKYDTB-SFHVURJKSA-N 1 0 392.286 3.663 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001350358695 1064064794 /nfs/dbraw/zinc/06/47/94/1064064794.db2.gz MKYPIWRNDYSFBE-LJQANCHMSA-N 1 0 399.922 3.722 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001350358690 1064065031 /nfs/dbraw/zinc/06/50/31/1064065031.db2.gz MKYPIWRNDYSFBE-IBGZPJMESA-N 1 0 399.922 3.722 20 30 GHEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001459447495 1064100491 /nfs/dbraw/zinc/10/04/91/1064100491.db2.gz JOJLNWPTNBDGTJ-OAQYLSRUSA-N 1 0 388.467 3.522 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](Cc2ccc(C)c(C)c2)C2CC2)c1 ZINC001459619314 1064146097 /nfs/dbraw/zinc/14/60/97/1064146097.db2.gz RLGQSMIEXYJVTD-UHFFFAOYSA-N 1 0 375.472 3.597 20 30 GHEDRO CCC1(CC)[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1OC ZINC001459696842 1064174688 /nfs/dbraw/zinc/17/46/88/1064174688.db2.gz VWGACLFVNCCBDQ-MSOLQXFVSA-N 1 0 389.565 3.963 20 30 GHEDRO C[N@@H+]1C[C@@]23CN(C(=O)N[C@H](CCCC#N)c4ccccc4)C[C@]2(C1)CCCC3 ZINC001351177811 1064293597 /nfs/dbraw/zinc/29/35/97/1064293597.db2.gz BBJIAVWVENZJHF-MZYLBHOOSA-N 1 0 380.536 3.939 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(c2nnc(N3CCC(C)(C#N)CC3)n2C)C1 ZINC001351242014 1064322545 /nfs/dbraw/zinc/32/25/45/1064322545.db2.gz VYAUNNFRUDVFMW-VGSWGCGISA-N 1 0 396.514 3.577 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001351595576 1064526695 /nfs/dbraw/zinc/52/66/95/1064526695.db2.gz MLUPTYNMLXTYHI-WOJBJXKFSA-N 1 0 392.551 3.585 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C[C@@H]1C(F)(F)F ZINC001351991799 1064750113 /nfs/dbraw/zinc/75/01/13/1064750113.db2.gz WTSQBZHAJMGXJG-UAGQMJEPSA-N 1 0 384.398 3.589 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001352151558 1064886607 /nfs/dbraw/zinc/88/66/07/1064886607.db2.gz ONBBWLBZKNSGGT-WMZOPIPTSA-N 1 0 385.512 3.570 20 30 GHEDRO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001300021308 1065038421 /nfs/dbraw/zinc/03/84/21/1065038421.db2.gz VZUNRENTJXDBQJ-QHCPKHFHSA-N 1 0 388.515 3.505 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1=C(c2ccccc2)SCCO1)C(C)C ZINC001464870574 1065253393 /nfs/dbraw/zinc/25/33/93/1065253393.db2.gz MLNQHCITDICBEU-LJQANCHMSA-N 1 0 386.561 3.933 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001465089263 1065385709 /nfs/dbraw/zinc/38/57/09/1065385709.db2.gz YVEPFRPRAOZWKZ-HXUWFJFHSA-N 1 0 385.577 3.627 20 30 GHEDRO CCN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC001353158418 1065719391 /nfs/dbraw/zinc/71/93/91/1065719391.db2.gz IXDRQJSSEMVPKS-LBPRGKRZSA-N 1 0 386.311 3.800 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC001465781390 1065852756 /nfs/dbraw/zinc/85/27/56/1065852756.db2.gz RTFWDSRYYOYAIP-MRXNPFEDSA-N 1 0 375.488 3.860 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001300293767 1065942597 /nfs/dbraw/zinc/94/25/97/1065942597.db2.gz RXTPKHNIMSNPJV-AZUAARDMSA-N 1 0 389.503 3.833 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@@H+](CC)C(C)C ZINC001300298462 1065951195 /nfs/dbraw/zinc/95/11/95/1065951195.db2.gz DFKHXCPOOGSEEB-QGZVFWFLSA-N 1 0 378.524 3.615 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300318341 1065981527 /nfs/dbraw/zinc/98/15/27/1065981527.db2.gz ZVYKWLXGSJMNCL-PCCBWWKXSA-N 1 0 393.579 3.642 20 30 GHEDRO CO[C@@H]1CCC[C@H](CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847747709 1066034002 /nfs/dbraw/zinc/03/40/02/1066034002.db2.gz OEMKINYULCHABF-LEWJYISDSA-N 1 0 384.520 3.931 20 30 GHEDRO CC(=O)c1csc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847748878 1066037966 /nfs/dbraw/zinc/03/79/66/1066037966.db2.gz JTVGOAZKOAFBAT-UHFFFAOYSA-N 1 0 382.485 3.913 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1 ZINC001353669241 1066122698 /nfs/dbraw/zinc/12/26/98/1066122698.db2.gz JDIIJPPXEHBSGH-UHFFFAOYSA-N 1 0 380.467 3.728 20 30 GHEDRO C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001300384446 1066149371 /nfs/dbraw/zinc/14/93/71/1066149371.db2.gz PPWOIHMJLQFOKT-TZIWHRDSSA-N 1 0 379.552 3.764 20 30 GHEDRO C#CCCCn1c(-c2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001300398877 1066217362 /nfs/dbraw/zinc/21/73/62/1066217362.db2.gz CFHITXWESXIFNK-FQEVSTJZSA-N 1 0 377.536 3.671 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001466816720 1066333609 /nfs/dbraw/zinc/33/36/09/1066333609.db2.gz MBTKCKUSMQTRTM-CQSZACIVSA-N 1 0 382.302 3.572 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467196517 1067143658 /nfs/dbraw/zinc/14/36/58/1067143658.db2.gz VYMCEFZESJSEJQ-IAGOWNOFSA-N 1 0 382.430 3.533 20 30 GHEDRO CCCc1c(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cnn1-c1cccc(C#N)c1 ZINC001467253248 1067181054 /nfs/dbraw/zinc/18/10/54/1067181054.db2.gz KOUZTXKKMCFPJY-NRFANRHFSA-N 1 0 379.508 3.755 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(C#N)cc2C2CC2)[NH+](C)C)c1 ZINC001467445431 1067301079 /nfs/dbraw/zinc/30/10/79/1067301079.db2.gz LYDAIXUPUPRFPF-NRFANRHFSA-N 1 0 378.476 3.869 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)C(C)C ZINC001467660634 1067404942 /nfs/dbraw/zinc/40/49/42/1067404942.db2.gz VWOSZLKDAQGXAL-SFHVURJKSA-N 1 0 375.561 3.547 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001358879830 1067592559 /nfs/dbraw/zinc/59/25/59/1067592559.db2.gz ZHAFYRHJLNYORV-HOIFWPIMSA-N 1 0 383.540 3.815 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001358881075 1067593216 /nfs/dbraw/zinc/59/32/16/1067593216.db2.gz YRSJRGRGVJNDJT-OALUTQOASA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358884317 1067595821 /nfs/dbraw/zinc/59/58/21/1067595821.db2.gz NKHBYOJXMHEAPR-FUHWJXTLSA-N 1 0 394.548 3.630 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001358941104 1067622684 /nfs/dbraw/zinc/62/26/84/1067622684.db2.gz YHWATALMTFQLLJ-LJQANCHMSA-N 1 0 385.943 3.932 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001358942797 1067623877 /nfs/dbraw/zinc/62/38/77/1067623877.db2.gz KRWNJUVDGCUXIV-KRWDZBQOSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001358950829 1067627448 /nfs/dbraw/zinc/62/74/48/1067627448.db2.gz ZNMXYOWJXNAROJ-UHFFFAOYSA-N 1 0 393.579 3.759 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001358950538 1067627529 /nfs/dbraw/zinc/62/75/29/1067627529.db2.gz ONDNRDCSUFJYLW-NRFANRHFSA-N 1 0 397.542 3.732 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001358990094 1067637291 /nfs/dbraw/zinc/63/72/91/1067637291.db2.gz AZBGQFITUCAGNF-QFIPXVFZSA-N 1 0 389.547 3.528 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccn2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359006505 1067648751 /nfs/dbraw/zinc/64/87/51/1067648751.db2.gz XMCLTCCSLCPITQ-WOJBJXKFSA-N 1 0 394.567 3.558 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359017337 1067656274 /nfs/dbraw/zinc/65/62/74/1067656274.db2.gz ALUSZCMPSRGQMV-NRFANRHFSA-N 1 0 397.542 3.884 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001359070956 1067671400 /nfs/dbraw/zinc/67/14/00/1067671400.db2.gz YTIAQRABGKICPY-TXTKFYIRSA-N 1 0 399.583 3.776 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359110074 1067689238 /nfs/dbraw/zinc/68/92/38/1067689238.db2.gz ZEZYTZNLJBDRFK-HNNXBMFYSA-N 1 0 388.947 3.879 20 30 GHEDRO C=C(Cl)Cn1c(COCC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359156638 1067714738 /nfs/dbraw/zinc/71/47/38/1067714738.db2.gz LXDLFBUZDBFESC-ROUUACIJSA-N 1 0 395.979 3.658 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC[NH+](CC)CC)CC1 ZINC001359162792 1067718305 /nfs/dbraw/zinc/71/83/05/1067718305.db2.gz FADRBMSOZCMJJB-UHFFFAOYSA-N 1 0 397.523 3.562 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001359162801 1067718393 /nfs/dbraw/zinc/71/83/93/1067718393.db2.gz FHOIMGDUQLISTI-SFHVURJKSA-N 1 0 383.515 3.973 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(Cl)c(C(=O)OC)n2)c(O)c1 ZINC000849169631 1067751640 /nfs/dbraw/zinc/75/16/40/1067751640.db2.gz FFGPXVQLYDXEJK-NHDPSOOVSA-N 1 0 375.856 3.693 20 30 GHEDRO C=CCCOCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001468603023 1067786903 /nfs/dbraw/zinc/78/69/03/1067786903.db2.gz ASSVNMPUASAVIB-IBGZPJMESA-N 1 0 379.932 3.586 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)CC)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001359231561 1067831682 /nfs/dbraw/zinc/83/16/82/1067831682.db2.gz ZLHXJEYIMCKHQG-HXUWFJFHSA-N 1 0 396.583 3.626 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(C)n2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001359238114 1067845836 /nfs/dbraw/zinc/84/58/36/1067845836.db2.gz ZJSNTDZCMFHECE-UHFFFAOYSA-N 1 0 390.535 3.793 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(OC)c2)n1CC1([NH+](C)C)CCCC1)C1CC1 ZINC001359247691 1067885025 /nfs/dbraw/zinc/88/50/25/1067885025.db2.gz LVZDZXWQSNDKCK-UHFFFAOYSA-N 1 0 395.551 3.983 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCOC2)n1CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC001359251166 1067902029 /nfs/dbraw/zinc/90/20/29/1067902029.db2.gz DUUWKXUKLRBVKY-RTBURBONSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCn1c(N2C[C@H](C)[N@H+](CC)C[C@H]2C)nnc1C1(c2ccccc2)CCC1 ZINC001359290088 1067990403 /nfs/dbraw/zinc/99/04/03/1067990403.db2.gz HBMWILMEJSLDFI-RBUKOAKNSA-N 1 0 379.552 3.853 20 30 GHEDRO CC(C)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001359687425 1068133679 /nfs/dbraw/zinc/13/36/79/1068133679.db2.gz NDLHZTHJJLJOHU-IBGZPJMESA-N 1 0 396.539 3.962 20 30 GHEDRO C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001469756185 1068362413 /nfs/dbraw/zinc/36/24/13/1068362413.db2.gz ICIVJOAPXFHZAM-ROUUACIJSA-N 1 0 376.504 3.927 20 30 GHEDRO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001469796143 1068394597 /nfs/dbraw/zinc/39/45/97/1068394597.db2.gz TZUPXACZCSVQCB-INIZCTEOSA-N 1 0 391.450 3.733 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(C)CC2)CC1 ZINC001360304577 1068445444 /nfs/dbraw/zinc/44/54/44/1068445444.db2.gz BTXDHSNRCAMBSG-UHFFFAOYSA-N 1 0 392.551 3.974 20 30 GHEDRO N#CC1CCC(CNC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001469916505 1068468278 /nfs/dbraw/zinc/46/82/78/1068468278.db2.gz VCMSVNFUGOBPNG-UHFFFAOYSA-N 1 0 382.552 3.918 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC001360460445 1068514225 /nfs/dbraw/zinc/51/42/25/1068514225.db2.gz ZHGYLXDCYIBYIM-CRAIPNDOSA-N 1 0 382.895 3.732 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001360472233 1068521432 /nfs/dbraw/zinc/52/14/32/1068521432.db2.gz ZCYJKLWZBUWFQF-AEFFLSMTSA-N 1 0 396.514 3.839 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001460085855 1068771550 /nfs/dbraw/zinc/77/15/50/1068771550.db2.gz JVWKIHHLULKCRC-IAGOWNOFSA-N 1 0 378.513 3.653 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC001460469215 1068972205 /nfs/dbraw/zinc/97/22/05/1068972205.db2.gz DZSPTWSDCBSNFL-JQHMZKTJSA-N 1 0 386.515 3.719 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2[nH]c(=O)oc2c1 ZINC001460552219 1068994053 /nfs/dbraw/zinc/99/40/53/1068994053.db2.gz DAIBGNLAETVFDC-MNOVXSKESA-N 1 0 396.472 3.633 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)CCC1 ZINC001460569852 1069000909 /nfs/dbraw/zinc/00/09/09/1069000909.db2.gz ONFRBFZTFHTCTN-XZOQPEGZSA-N 1 0 390.527 3.832 20 30 GHEDRO COC[C@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001460578267 1069005408 /nfs/dbraw/zinc/00/54/08/1069005408.db2.gz PTPCBJZQBSTVTQ-JTSKRJEESA-N 1 0 377.488 3.911 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001460662684 1069067254 /nfs/dbraw/zinc/06/72/54/1069067254.db2.gz JUZBRLYXKSPOCF-KRWDZBQOSA-N 1 0 378.451 3.507 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2CCOc2ccccc2C#N)C1 ZINC001460667253 1069070646 /nfs/dbraw/zinc/07/06/46/1069070646.db2.gz QIUPJTFONJZERJ-OALUTQOASA-N 1 0 385.508 3.658 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)C2(Cc3ccccc3)CCCC2)c1 ZINC001460741165 1069147468 /nfs/dbraw/zinc/14/74/68/1069147468.db2.gz YLJCWYSZESTPOI-UHFFFAOYSA-N 1 0 389.499 3.803 20 30 GHEDRO C#CC[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC001460757683 1069160150 /nfs/dbraw/zinc/16/01/50/1069160150.db2.gz JKUXUWJIBLLYNL-QAPCUYQASA-N 1 0 375.310 3.598 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](CC)CCC)c1ccc(Br)cc1 ZINC001470406395 1072533787 /nfs/dbraw/zinc/53/37/87/1072533787.db2.gz NOVFLQVVUPAQQR-WMLDXEAASA-N 1 0 380.330 3.543 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(Cl)cc1F ZINC001470664880 1072675706 /nfs/dbraw/zinc/67/57/06/1072675706.db2.gz ANXVZMPBDLLZNK-RTBURBONSA-N 1 0 388.874 3.541 20 30 GHEDRO C=CCCSCCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001470734424 1072712911 /nfs/dbraw/zinc/71/29/11/1072712911.db2.gz UGHUSTISUKAWIN-UHFFFAOYSA-N 1 0 375.582 3.646 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001479103189 1079104586 /nfs/dbraw/zinc/10/45/86/1079104586.db2.gz SIHHKDQNMUAZTJ-RXVVDRJESA-N 1 0 390.531 3.861 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2cc(C(F)(F)F)c(F)cc2C#N)CC1 ZINC001472681886 1073614847 /nfs/dbraw/zinc/61/48/47/1073614847.db2.gz AXYLESSUXLAFHC-HUUCEWRRSA-N 1 0 398.448 3.711 20 30 GHEDRO CCc1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c(C#N)c1CC ZINC001472821353 1073680710 /nfs/dbraw/zinc/68/07/10/1073680710.db2.gz GOCUYOYIMHJTID-MRXNPFEDSA-N 1 0 383.565 3.801 20 30 GHEDRO C#CC[N@@H+](C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCc2ccccc21 ZINC001473122192 1073790412 /nfs/dbraw/zinc/79/04/12/1073790412.db2.gz SOBCLMZYNANDSB-CTNGQTDRSA-N 1 0 396.531 3.778 20 30 GHEDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)o1 ZINC001473194395 1073846220 /nfs/dbraw/zinc/84/62/20/1073846220.db2.gz CRMOCUIHVOTPOD-OXJNMPFZSA-N 1 0 376.456 3.661 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccccc2C(F)(F)F)c1 ZINC001473324282 1073921244 /nfs/dbraw/zinc/92/12/44/1073921244.db2.gz AINFTBNQUYADSZ-CYBMUJFWSA-N 1 0 389.377 3.686 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001473451430 1073970007 /nfs/dbraw/zinc/97/00/07/1073970007.db2.gz KKJCLQDTFVODBB-MBOZVWFJSA-N 1 0 387.524 3.951 20 30 GHEDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC001473485125 1073984986 /nfs/dbraw/zinc/98/49/86/1073984986.db2.gz VVNIKOPIUPIWSY-XMSQKQJNSA-N 1 0 386.540 3.823 20 30 GHEDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001473508281 1073994034 /nfs/dbraw/zinc/99/40/34/1073994034.db2.gz AMNWHOPLUNMVIA-NRFANRHFSA-N 1 0 387.401 3.874 20 30 GHEDRO CC(C)[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001473645806 1074064073 /nfs/dbraw/zinc/06/40/73/1074064073.db2.gz NLBGBSLVESXDMW-QFIPXVFZSA-N 1 0 378.476 3.809 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC001473797774 1074147216 /nfs/dbraw/zinc/14/72/16/1074147216.db2.gz SMOBOTNIAMFUMP-OFNKIYASSA-N 1 0 399.535 3.705 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC001473824853 1074161569 /nfs/dbraw/zinc/16/15/69/1074161569.db2.gz UUHSCHOIYYSVHE-MOPGFXCFSA-N 1 0 396.560 3.960 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC001473824796 1074161882 /nfs/dbraw/zinc/16/18/82/1074161882.db2.gz SMPDIHTZYZNWIL-KGLIPLIRSA-N 1 0 388.924 3.868 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]2(CO)c2ccccc2)c1C ZINC001473892001 1074192610 /nfs/dbraw/zinc/19/26/10/1074192610.db2.gz PQXKHYIWVNKOIM-XMMPIXPASA-N 1 0 391.515 3.534 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Br)c3c(c1)OCCCO3)C2 ZINC001474245028 1074307740 /nfs/dbraw/zinc/30/77/40/1074307740.db2.gz ODNHBIOIALMOFQ-QGZVFWFLSA-N 1 0 399.288 3.739 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC001474291010 1074326906 /nfs/dbraw/zinc/32/69/06/1074326906.db2.gz XGLFDCZWEYCPIJ-MAUKXSAKSA-N 1 0 376.294 3.510 20 30 GHEDRO C#CCCN(CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)CC(F)(F)F ZINC001474420286 1074398532 /nfs/dbraw/zinc/39/85/32/1074398532.db2.gz YXAAHYLPRAEIGZ-UHFFFAOYSA-N 1 0 397.441 3.737 20 30 GHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC001474473430 1074422941 /nfs/dbraw/zinc/42/29/41/1074422941.db2.gz QMMLGUYQGJNJIS-HZPDHXFCSA-N 1 0 393.494 3.804 20 30 GHEDRO COc1cc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)ccc1C#N ZINC001474556394 1074462116 /nfs/dbraw/zinc/46/21/16/1074462116.db2.gz DIEGKHXQJIWXHD-FQEVSTJZSA-N 1 0 385.508 3.980 20 30 GHEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001474716913 1074530968 /nfs/dbraw/zinc/53/09/68/1074530968.db2.gz DVEQGLOHEGAAEA-NXIIHZOPSA-N 1 0 377.448 3.841 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1Cl ZINC001474786052 1074562646 /nfs/dbraw/zinc/56/26/46/1074562646.db2.gz HTWORTXFSRLUIC-UHFFFAOYSA-N 1 0 395.956 3.679 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H](C)C1 ZINC001476094622 1075083750 /nfs/dbraw/zinc/08/37/50/1075083750.db2.gz AILFJCDLONKNLR-MRXNPFEDSA-N 1 0 396.466 3.834 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CC#N ZINC001500530744 1079607399 /nfs/dbraw/zinc/60/73/99/1079607399.db2.gz HIBDJGAONBXLGE-RBUKOAKNSA-N 1 0 395.555 3.733 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001620419403 1126240262 /nfs/dbraw/zinc/24/02/62/1126240262.db2.gz WPSPUFSFGORVKB-HXUWFJFHSA-N 1 0 385.305 3.639 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001620419402 1126240294 /nfs/dbraw/zinc/24/02/94/1126240294.db2.gz WPSPUFSFGORVKB-FQEVSTJZSA-N 1 0 385.305 3.639 20 30 GHEDRO CC(C)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824261280 608568307 /nfs/dbraw/zinc/56/83/07/608568307.db2.gz HHEKWBFKMNSALG-KRWDZBQOSA-N 1 0 390.491 3.816 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)[C@@H]2CC ZINC001164700193 719823743 /nfs/dbraw/zinc/82/37/43/719823743.db2.gz JIXPCIVOSBLYCQ-OFNKIYASSA-N 1 0 382.552 3.602 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1C#N ZINC001164729935 720351112 /nfs/dbraw/zinc/35/11/12/720351112.db2.gz YXNKBPRXMXVRKY-CVEARBPZSA-N 1 0 388.302 3.817 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164840437 720665683 /nfs/dbraw/zinc/66/56/83/720665683.db2.gz MMXIZESCONARDH-SFHVURJKSA-N 1 0 396.922 3.867 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc2)cc1 ZINC001164770199 721298624 /nfs/dbraw/zinc/29/86/24/721298624.db2.gz QDKFVRIBVWXAOX-UHFFFAOYSA-N 1 0 388.515 3.649 20 30 GHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(CC#N)c(C)n2)CC1 ZINC001165021200 721843982 /nfs/dbraw/zinc/84/39/82/721843982.db2.gz HLMJIBKFZNNDMN-UHFFFAOYSA-N 1 0 394.519 3.574 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC(F)F)cc1 ZINC000176714345 837510936 /nfs/dbraw/zinc/51/09/36/837510936.db2.gz MRTQEWNVDKXYCR-IAQYHMDHSA-N 1 0 377.416 3.677 20 30 GHEDRO N#CC1(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CCCCC1 ZINC000177995361 837532245 /nfs/dbraw/zinc/53/22/45/837532245.db2.gz RIEPRGIERDVWEG-LEWJYISDSA-N 1 0 383.536 3.697 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000613301573 837556370 /nfs/dbraw/zinc/55/63/70/837556370.db2.gz PLDMAZSMZPISPE-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180890992 837666693 /nfs/dbraw/zinc/66/66/93/837666693.db2.gz CIWIUVFSXMEUDW-KRWDZBQOSA-N 1 0 391.496 3.745 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000175274145 834493225 /nfs/dbraw/zinc/49/32/25/834493225.db2.gz KQLUXWZLKSXUMY-TZIWHRDSSA-N 1 0 391.515 3.696 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000289907969 834626757 /nfs/dbraw/zinc/62/67/57/834626757.db2.gz SUHXCFQMUBQBOG-KRWDZBQOSA-N 1 0 393.491 3.941 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ccc4cc(C#N)ccc4n3)CC2)C[C@H](C)O1 ZINC000092920030 834691913 /nfs/dbraw/zinc/69/19/13/834691913.db2.gz NBFBMWRHUBPRRN-HDICACEKSA-N 1 0 378.520 3.822 20 30 GHEDRO CC1(C)CC(NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CC(C)(C)C1 ZINC000262403033 834729309 /nfs/dbraw/zinc/72/93/09/834729309.db2.gz OAVJSKZPZCIFAO-INIZCTEOSA-N 1 0 397.629 3.504 20 30 GHEDRO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329296902 834788095 /nfs/dbraw/zinc/78/80/95/834788095.db2.gz OXYVLRGINLCJEY-TZIWHRDSSA-N 1 0 385.552 3.801 20 30 GHEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000246280281 834851678 /nfs/dbraw/zinc/85/16/78/834851678.db2.gz WSACHKQMFXSRIN-MBOZVWFJSA-N 1 0 380.454 3.631 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(CC)cc1 ZINC000278383512 834902736 /nfs/dbraw/zinc/90/27/36/834902736.db2.gz ZCWBXSLVWACXQX-UHFFFAOYSA-O 1 0 399.536 3.652 20 30 GHEDRO Cc1nccn1-c1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000329365990 834913519 /nfs/dbraw/zinc/91/35/19/834913519.db2.gz IJKWODLFRLJJHZ-LJQANCHMSA-N 1 0 399.514 3.684 20 30 GHEDRO Cc1nc(CC(C)C)sc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000329375592 834935508 /nfs/dbraw/zinc/93/55/08/834935508.db2.gz NWVLQXIMCOFBKJ-UHFFFAOYSA-N 1 0 379.570 3.990 20 30 GHEDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000329396723 834965463 /nfs/dbraw/zinc/96/54/63/834965463.db2.gz UOFAYFFUMQKIQK-CYBMUJFWSA-N 1 0 395.425 3.621 20 30 GHEDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000329396725 834965721 /nfs/dbraw/zinc/96/57/21/834965721.db2.gz UOFAYFFUMQKIQK-ZDUSSCGKSA-N 1 0 395.425 3.621 20 30 GHEDRO COc1cc(F)c([C@H](C)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1OC ZINC000329457704 835081356 /nfs/dbraw/zinc/08/13/56/835081356.db2.gz QQYYUJBTYPTKLY-HNNXBMFYSA-N 1 0 393.503 3.768 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1cccc(OC(F)(F)F)c1 ZINC000128274310 835124853 /nfs/dbraw/zinc/12/48/53/835124853.db2.gz IFYRHJGXCWXFGE-UHFFFAOYSA-N 1 0 377.366 3.917 20 30 GHEDRO CCOc1ccccc1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433329866 844021265 /nfs/dbraw/zinc/02/12/65/844021265.db2.gz ZPULDKYOHKNKGV-UHFFFAOYSA-N 1 0 375.476 3.590 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C12CCCCC2 ZINC000610215823 835169665 /nfs/dbraw/zinc/16/96/65/835169665.db2.gz INQAQDNQUQRGJN-LEWJYISDSA-N 1 0 383.536 3.993 20 30 GHEDRO Cc1ccc2c(CC[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)cn(C)c2c1 ZINC000433340005 844035886 /nfs/dbraw/zinc/03/58/86/844035886.db2.gz CTGNBHUZKFEWGS-UHFFFAOYSA-N 1 0 398.514 3.991 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132127048 835312864 /nfs/dbraw/zinc/31/28/64/835312864.db2.gz WMVQRJRGJOMBSW-KNQAVFIVSA-N 1 0 391.515 3.643 20 30 GHEDRO CC[NH+](CC)CCN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000471182121 835491981 /nfs/dbraw/zinc/49/19/81/835491981.db2.gz PRJXWUDKXHJKAN-UHFFFAOYSA-N 1 0 389.503 3.952 20 30 GHEDRO C=CCOCCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000658210878 835510575 /nfs/dbraw/zinc/51/05/75/835510575.db2.gz XWJZCAOANRZEEU-HXUWFJFHSA-N 1 0 395.471 3.640 20 30 GHEDRO C=CCOCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000658210361 835511308 /nfs/dbraw/zinc/51/13/08/835511308.db2.gz QYVNJGDOKLOQFU-QFIPXVFZSA-N 1 0 387.545 3.979 20 30 GHEDRO CC(C)(C)c1nc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cs1 ZINC000278599947 835522456 /nfs/dbraw/zinc/52/24/56/835522456.db2.gz HSEFYZOOOBDADE-UHFFFAOYSA-N 1 0 394.548 3.945 20 30 GHEDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1[N+](=O)[O-] ZINC000278658170 835718039 /nfs/dbraw/zinc/71/80/39/835718039.db2.gz MYRMZFFKLFBXQG-INIZCTEOSA-N 1 0 390.447 3.926 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000612177497 835795101 /nfs/dbraw/zinc/79/51/01/835795101.db2.gz IMQCVSDTBRLVDA-YYTDSSBASA-N 1 0 380.536 3.622 20 30 GHEDRO CC(C)[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)[NH+]1CCCCCC1 ZINC000278699604 835825092 /nfs/dbraw/zinc/82/50/92/835825092.db2.gz QRRIGKJPBHXCSR-JOCHJYFZSA-N 1 0 394.567 3.849 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)ccc1OC ZINC000274975050 835864335 /nfs/dbraw/zinc/86/43/35/835864335.db2.gz WVNSYTXOCFPQPE-UHFFFAOYSA-N 1 0 396.535 3.958 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000535628171 836029780 /nfs/dbraw/zinc/02/97/80/836029780.db2.gz FUXWXIBBYJQRHJ-CQSZACIVSA-N 1 0 385.533 3.994 20 30 GHEDRO C[C@]1(c2ccccc2)CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000510159085 836074953 /nfs/dbraw/zinc/07/49/53/836074953.db2.gz KXVHZWHLBUWSHR-QFIPXVFZSA-N 1 0 382.529 3.776 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187196203 836104124 /nfs/dbraw/zinc/10/41/24/836104124.db2.gz WOCMGOIOFOBVHX-SBUREZEXSA-N 1 0 395.503 3.533 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510923112 844127265 /nfs/dbraw/zinc/12/72/65/844127265.db2.gz YLXAJWWJCUNIPQ-HNNXBMFYSA-N 1 0 381.442 3.768 20 30 GHEDRO CCOC(=O)C(C)(C)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000510159572 836126140 /nfs/dbraw/zinc/12/61/40/836126140.db2.gz MZZNOHBJMHUPPP-SFHVURJKSA-N 1 0 399.535 3.623 20 30 GHEDRO C=CCOc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471240012 836213037 /nfs/dbraw/zinc/21/30/37/836213037.db2.gz CVEHIYNKBLVRBK-BGYRXZFFSA-N 1 0 377.488 3.847 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000448842853 836213703 /nfs/dbraw/zinc/21/37/03/836213703.db2.gz GOTCDFONDUOWRN-OAHLLOKOSA-N 1 0 378.314 3.705 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000065930885 836253470 /nfs/dbraw/zinc/25/34/70/836253470.db2.gz HRQRDGYYUKJRCS-UHFFFAOYSA-N 1 0 389.421 3.710 20 30 GHEDRO COc1ccc([C@H](CNc2nc(C(C)(C)C)ccc2C#N)[NH+](C)C)cc1OC ZINC000613409093 836326596 /nfs/dbraw/zinc/32/65/96/836326596.db2.gz ILYGEUVLROXIAU-KRWDZBQOSA-N 1 0 382.508 3.983 20 30 GHEDRO C[NH+]1CCN(C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)c2ccccc2)CC1 ZINC000613420554 836342544 /nfs/dbraw/zinc/34/25/44/836342544.db2.gz QXESIDGNURMKEX-HXUWFJFHSA-N 1 0 377.536 3.651 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)ccc1OC ZINC000177331974 836345741 /nfs/dbraw/zinc/34/57/41/836345741.db2.gz RSBDTTXFOGPLMR-QFBILLFUSA-N 1 0 381.476 3.883 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C ZINC000134920451 836399203 /nfs/dbraw/zinc/39/92/03/836399203.db2.gz KTMBLRPUOSTHFG-GDAAHCPNSA-N 1 0 387.499 3.624 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000414175689 836407686 /nfs/dbraw/zinc/40/76/86/836407686.db2.gz HQPQEZNNIAIAGV-BBRMVZONSA-N 1 0 391.284 3.962 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000025300205 836530546 /nfs/dbraw/zinc/53/05/46/836530546.db2.gz VVLCVOVCGDSLEM-JOCHJYFZSA-N 1 0 394.515 3.506 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261735996 844176886 /nfs/dbraw/zinc/17/68/86/844176886.db2.gz YSNFNPKSSIINRN-VNXMGFANSA-N 1 0 397.563 3.585 20 30 GHEDRO C[NH+]=C(NCCc1nnc2n1CCCCC2)N1CCCC2(C1)CCCCCC2 ZINC000261738091 844178072 /nfs/dbraw/zinc/17/80/72/844178072.db2.gz KIIUKMJPVLHESK-UHFFFAOYSA-N 1 0 386.588 3.559 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001209443851 836576889 /nfs/dbraw/zinc/57/68/89/836576889.db2.gz GPGIUFXVCUYBKP-IFMALSPDSA-N 1 0 380.573 3.631 20 30 GHEDRO CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000612771769 836742142 /nfs/dbraw/zinc/74/21/42/836742142.db2.gz NVEJHTCZDDERMJ-FQEVSTJZSA-N 1 0 380.467 3.503 20 30 GHEDRO Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1F ZINC001125324213 836788812 /nfs/dbraw/zinc/78/88/12/836788812.db2.gz YBMYYAUXGQUDQC-HNNXBMFYSA-N 1 0 376.435 3.687 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180050366 836920911 /nfs/dbraw/zinc/92/09/11/836920911.db2.gz PCDSTTKZLYLAEQ-UHFFFAOYSA-N 1 0 380.496 3.548 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(OC(F)(F)F)ccc3F)C2)C1=O ZINC001143541182 844217241 /nfs/dbraw/zinc/21/72/41/844217241.db2.gz HOFLHGSPZVNLEN-GOSISDBHSA-N 1 0 386.389 3.725 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(CC)cc1 ZINC000027311335 837041615 /nfs/dbraw/zinc/04/16/15/837041615.db2.gz ICQRHCGQSWNQNG-UHFFFAOYSA-O 1 0 399.536 3.658 20 30 GHEDRO C=CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000548979184 837135540 /nfs/dbraw/zinc/13/55/40/837135540.db2.gz NODMRVYDKBKEHU-DQXYTYHJSA-N 1 0 382.957 3.749 20 30 GHEDRO C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000540968386 837259332 /nfs/dbraw/zinc/25/93/32/837259332.db2.gz LXBNJGXCASCRKK-OAHLLOKOSA-N 1 0 379.435 3.870 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000658868453 837339286 /nfs/dbraw/zinc/33/92/86/837339286.db2.gz PRMQWUZJLOWAPY-KDURUIRLSA-N 1 0 399.560 3.523 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549332305 837973933 /nfs/dbraw/zinc/97/39/33/837973933.db2.gz VVMQTRXOWBOQGH-GOSISDBHSA-N 1 0 399.514 3.637 20 30 GHEDRO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000261747718 844280529 /nfs/dbraw/zinc/28/05/29/844280529.db2.gz LLUDOTKIWZDFJH-YOEHRIQHSA-N 1 0 388.487 3.649 20 30 GHEDRO C[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000415704541 838006027 /nfs/dbraw/zinc/00/60/27/838006027.db2.gz SECPIUSPMCTUIK-MAUKXSAKSA-N 1 0 394.523 3.633 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460788870 838198951 /nfs/dbraw/zinc/19/89/51/838198951.db2.gz AQUYMBBZAPSXKA-AEFFLSMTSA-N 1 0 399.514 3.806 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000177770310 838219373 /nfs/dbraw/zinc/21/93/73/838219373.db2.gz SYSOEIFJPDWLNI-CQSZACIVSA-N 1 0 385.430 3.986 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(OC)cc2)CC1 ZINC000181957584 838303731 /nfs/dbraw/zinc/30/37/31/838303731.db2.gz XPOLYEMJJBIOCL-UHFFFAOYSA-N 1 0 392.499 3.697 20 30 GHEDRO Cc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)c(OCC[NH+](C)C)c1 ZINC000560547798 838392417 /nfs/dbraw/zinc/39/24/17/838392417.db2.gz BTYGHTPZXNXRDF-UHFFFAOYSA-N 1 0 378.520 3.888 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[N@@H+]1C ZINC000610320034 838405268 /nfs/dbraw/zinc/40/52/68/838405268.db2.gz OHKXAUNFPCOJSZ-CRAIPNDOSA-N 1 0 379.464 3.692 20 30 GHEDRO C[C@@H](OC[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000376595680 838415387 /nfs/dbraw/zinc/41/53/87/838415387.db2.gz PWCQBMZJCIBRIW-XLIONFOSSA-N 1 0 399.922 3.731 20 30 GHEDRO C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610349033 838598330 /nfs/dbraw/zinc/59/83/30/838598330.db2.gz DXKPNFJALTWPKE-SFHVURJKSA-N 1 0 376.504 3.831 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000610349748 838605817 /nfs/dbraw/zinc/60/58/17/838605817.db2.gz VGLGFHYRAOWRIT-AVRDEDQJSA-N 1 0 378.520 3.872 20 30 GHEDRO CCN1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cccc(C#N)c3)c2C1 ZINC000610364292 838691524 /nfs/dbraw/zinc/69/15/24/838691524.db2.gz OCJUCNOVNHJLRB-INIZCTEOSA-N 1 0 384.483 3.975 20 30 GHEDRO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(-c2cnn(C)c2)c1 ZINC000549409135 838717975 /nfs/dbraw/zinc/71/79/75/838717975.db2.gz WCFQZOBCLJYCRV-UHFFFAOYSA-N 1 0 389.478 3.729 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000560972634 838881247 /nfs/dbraw/zinc/88/12/47/838881247.db2.gz VZUUWMDSKLZVSB-FOIQADDNSA-N 1 0 394.475 3.894 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCCC[C@H]3[C@@H]3CNC(=O)C3)c2)c1 ZINC000378366738 838953547 /nfs/dbraw/zinc/95/35/47/838953547.db2.gz BOTIOOCJNJSIKC-GMAHTHKFSA-N 1 0 389.499 3.628 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)Nc1ccc(C)c(C)c1 ZINC000172580115 839110251 /nfs/dbraw/zinc/11/02/51/839110251.db2.gz BYWHMBIGSBDAHJ-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050090953 839157340 /nfs/dbraw/zinc/15/73/40/839157340.db2.gz VTYLLHYECMUSQE-INIZCTEOSA-N 1 0 384.505 3.662 20 30 GHEDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000378486849 839210393 /nfs/dbraw/zinc/21/03/93/839210393.db2.gz FAZHNOBRFIKMDI-IIBYNOLFSA-N 1 0 393.487 3.590 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415118687 839231545 /nfs/dbraw/zinc/23/15/45/839231545.db2.gz HFBHAJKOQPIKGK-VQIMIIECSA-N 1 0 378.476 3.647 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC000892880855 839309754 /nfs/dbraw/zinc/30/97/54/839309754.db2.gz MHLDAFQTASWOIC-IKGGRYGDSA-N 1 0 376.463 3.527 20 30 GHEDRO C=C[C@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000125113875 839397430 /nfs/dbraw/zinc/39/74/30/839397430.db2.gz JAWHJGAZBSFJML-AUSIDOKSSA-N 1 0 378.516 3.619 20 30 GHEDRO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2cccc(Cl)c21 ZINC000330215167 839440499 /nfs/dbraw/zinc/44/04/99/839440499.db2.gz GTPQKOMWLCDWRL-SJLPKXTDSA-N 1 0 391.943 3.729 20 30 GHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc(OC)c1OC ZINC000458196326 844438722 /nfs/dbraw/zinc/43/87/22/844438722.db2.gz DPQPJFVLKFKJHH-UHFFFAOYSA-N 1 0 388.533 3.698 20 30 GHEDRO O=C(CCNC(=O)C1CCCCC1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000328728490 839525266 /nfs/dbraw/zinc/52/52/66/839525266.db2.gz GWMFGAKLMGXHQF-UHFFFAOYSA-N 1 0 397.563 3.963 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549254122 839604543 /nfs/dbraw/zinc/60/45/43/839604543.db2.gz QWLPXDPUOQLATF-QGZVFWFLSA-N 1 0 399.514 3.808 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175814796 839626235 /nfs/dbraw/zinc/62/62/35/839626235.db2.gz HCIJZAXDWSTOMD-CABCVRRESA-N 1 0 375.519 3.598 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCS[C@@H](C)[C@@H]3C)sc2C1 ZINC001167412515 839688422 /nfs/dbraw/zinc/68/84/22/839688422.db2.gz MFXAQRJGWQHJRB-RDBSUJKOSA-N 1 0 377.579 3.899 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000610445852 839735841 /nfs/dbraw/zinc/73/58/41/839735841.db2.gz AWUHKMUIQLSHLB-RTWAWAEBSA-N 1 0 396.922 3.600 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000580543205 839776437 /nfs/dbraw/zinc/77/64/37/839776437.db2.gz QNQVBLGMZRFVII-IEBWSBKVSA-N 1 0 396.384 3.915 20 30 GHEDRO COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1C#N ZINC000160545591 839803160 /nfs/dbraw/zinc/80/31/60/839803160.db2.gz DFUNFOAODWQHPT-DFNIBXOVSA-N 1 0 385.508 3.929 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(OC4CCCCC4)CC3)C2=O)cc1 ZINC000579747637 839904848 /nfs/dbraw/zinc/90/48/48/839904848.db2.gz AQEABBFZOHWJIZ-QFIPXVFZSA-N 1 0 381.520 3.867 20 30 GHEDRO CCCc1c(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cnn1-c1cccc(C#N)c1 ZINC000415562277 839969224 /nfs/dbraw/zinc/96/92/24/839969224.db2.gz GPHHYRZBSHPLDO-GOSISDBHSA-N 1 0 382.512 3.534 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cc2)ccn1 ZINC000580703007 840032919 /nfs/dbraw/zinc/03/29/19/840032919.db2.gz SFEAQVPSBOLEST-WKILWMFISA-N 1 0 379.464 3.632 20 30 GHEDRO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000580738280 840091588 /nfs/dbraw/zinc/09/15/88/840091588.db2.gz FMRRXJMTTNGACA-SJORKVTESA-N 1 0 399.922 3.926 20 30 GHEDRO CCC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000175848703 840135329 /nfs/dbraw/zinc/13/53/29/840135329.db2.gz OQNSKVAOUHQNQT-UHFFFAOYSA-N 1 0 394.475 3.919 20 30 GHEDRO C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC(=O)N1Cc1ccccc1 ZINC000566710350 840282744 /nfs/dbraw/zinc/28/27/44/840282744.db2.gz WCJGMSHCXOQIEP-IFXJQAMLSA-N 1 0 387.405 3.856 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580826372 840285958 /nfs/dbraw/zinc/28/59/58/840285958.db2.gz IMQRJUYZOJDUSX-WCCYLALTSA-N 1 0 381.520 3.559 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500598 840336019 /nfs/dbraw/zinc/33/60/19/840336019.db2.gz OTWOWXDOGLZFDY-QFIPXVFZSA-N 1 0 393.487 3.713 20 30 GHEDRO C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000053721205 840355645 /nfs/dbraw/zinc/35/56/45/840355645.db2.gz OXXXTKBHRCKOBL-AVRDEDQJSA-N 1 0 391.515 3.942 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418538726 840424022 /nfs/dbraw/zinc/42/40/22/840424022.db2.gz FEURQMPNBXSCHL-VQTJNVASSA-N 1 0 385.533 3.600 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160696798 840439500 /nfs/dbraw/zinc/43/95/00/840439500.db2.gz KNLFPEIHMGQMBP-QGZVFWFLSA-N 1 0 396.466 3.740 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418540739 840439986 /nfs/dbraw/zinc/43/99/86/840439986.db2.gz GRXAHNAKZUVBOI-YADHBBJMSA-N 1 0 379.504 3.539 20 30 GHEDRO N#Cc1ccc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000566800888 840470214 /nfs/dbraw/zinc/47/02/14/840470214.db2.gz ZCEUDURPRUOVRV-UHFFFAOYSA-N 1 0 395.459 3.917 20 30 GHEDRO COc1ccccc1CC1(c2nc(-c3cc(F)cc(C#N)c3)no2)CC[NH2+]CC1 ZINC001211506953 840561983 /nfs/dbraw/zinc/56/19/83/840561983.db2.gz CVYPRVFOOUVMBA-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO COc1ccc(C[NH2+]CC(=O)Nc2c(C)cccc2C)cc1OCCCC#N ZINC000064613543 840670652 /nfs/dbraw/zinc/67/06/52/840670652.db2.gz TYHIZJMQKJTBOO-UHFFFAOYSA-N 1 0 381.476 3.723 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417378323 840790772 /nfs/dbraw/zinc/79/07/72/840790772.db2.gz FCEPMQNUZBRJOR-MGPUTAFESA-N 1 0 393.487 3.960 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)NCC3CCC(C#N)CC3)CC[N@@H+]2C2CC2)c1 ZINC000581170089 840814641 /nfs/dbraw/zinc/81/46/41/840814641.db2.gz HOMDUESXASMITB-KKXVOBOWSA-N 1 0 396.535 3.602 20 30 GHEDRO O=C(NCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C1N=CC=CC1=O ZINC000588401811 840845138 /nfs/dbraw/zinc/84/51/38/840845138.db2.gz IBQWUSOYPQGTJD-GEXZYOHASA-N 1 0 399.853 3.685 20 30 GHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3cc(C#N)ccc3OC)CCN2C2CC2)c1 ZINC000549471886 840884240 /nfs/dbraw/zinc/88/42/40/840884240.db2.gz KXPSVHXMDYXEPL-GMAHTHKFSA-N 1 0 377.488 3.643 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(C#N)c(Cl)n1 ZINC001125487777 840907212 /nfs/dbraw/zinc/90/72/12/840907212.db2.gz UJMCCNSXYBHSEQ-UHFFFAOYSA-N 1 0 386.908 3.716 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000584835178 841021603 /nfs/dbraw/zinc/02/16/03/841021603.db2.gz SNRXHMUQIGDIBZ-HKUYNNGSSA-N 1 0 388.920 3.911 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000661001369 841321161 /nfs/dbraw/zinc/32/11/61/841321161.db2.gz MYZJRGGUNBZCDU-KIZRIRGWSA-N 1 0 381.520 3.866 20 30 GHEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1C#N ZINC000135173660 841358451 /nfs/dbraw/zinc/35/84/51/841358451.db2.gz SRUKADQKSGJXBZ-UHFFFAOYSA-N 1 0 399.878 3.777 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000500103869 841442773 /nfs/dbraw/zinc/44/27/73/841442773.db2.gz FAKSWQVBTSQQEV-STZQEDGTSA-N 1 0 376.504 3.994 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698879 861209483 /nfs/dbraw/zinc/20/94/83/861209483.db2.gz JMDUGYRVZUHORS-QYZOEREBSA-N 1 0 389.609 3.894 20 30 GHEDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418143912 841554755 /nfs/dbraw/zinc/55/47/55/841554755.db2.gz JNBIEZKEODADAT-IIBYNOLFSA-N 1 0 377.488 3.872 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276326207 841581357 /nfs/dbraw/zinc/58/13/57/841581357.db2.gz YFWUMLSVSHNBSH-UHFFFAOYSA-N 1 0 378.520 3.783 20 30 GHEDRO CC[NH+]=C(NCc1c(C)noc1C)NCc1ccc(Br)cc1Cl ZINC000157188789 841639999 /nfs/dbraw/zinc/63/99/99/841639999.db2.gz WVLZOBMAPOQIHS-UHFFFAOYSA-N 1 0 399.720 3.963 20 30 GHEDRO N#CCCC[C@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000418207245 841646680 /nfs/dbraw/zinc/64/66/80/841646680.db2.gz BKLPZBBOQURTGJ-YPTCHGKGSA-N 1 0 380.536 3.874 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000661442414 841748018 /nfs/dbraw/zinc/74/80/18/841748018.db2.gz KXCDHVZVWGOJDO-UHFFFAOYSA-N 1 0 385.552 3.665 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(CC3(c4ccccc4F)CC[NH2+]CC3)n2)c1 ZINC001211517627 842027692 /nfs/dbraw/zinc/02/76/92/842027692.db2.gz BSMIKYRVTMQRAJ-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000432334747 842071720 /nfs/dbraw/zinc/07/17/20/842071720.db2.gz HXUOIIMPLBBVTH-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329307850 861268322 /nfs/dbraw/zinc/26/83/22/861268322.db2.gz YONKAUJXHUIQQA-KYHPRHEASA-N 1 0 380.577 3.780 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1 ZINC000066905496 842084229 /nfs/dbraw/zinc/08/42/29/842084229.db2.gz MTXKLELVOQSXEZ-UHFFFAOYSA-N 1 0 389.499 3.628 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000066905356 842090849 /nfs/dbraw/zinc/09/08/49/842090849.db2.gz TZGNKUCOZPBEKL-JOCHJYFZSA-N 1 0 399.498 3.686 20 30 GHEDRO CC1CC[NH+](CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000474876443 861280890 /nfs/dbraw/zinc/28/08/90/861280890.db2.gz JULHEEUKIHEDQR-JOCHJYFZSA-N 1 0 377.488 3.678 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)CC2 ZINC000329312200 861275957 /nfs/dbraw/zinc/27/59/57/861275957.db2.gz GKPWPIOENMBCRK-BXUZGUMPSA-N 1 0 382.430 3.516 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCCC2(C)C)c1C#N ZINC000477439316 842151195 /nfs/dbraw/zinc/15/11/95/842151195.db2.gz YKDFOESDWUKVLP-UHFFFAOYSA-N 1 0 382.483 3.977 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000054032721 842204276 /nfs/dbraw/zinc/20/42/76/842204276.db2.gz RNQCUZVDNLXTKG-UHFFFAOYSA-N 1 0 381.545 3.950 20 30 GHEDRO N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1F ZINC000585747066 842239935 /nfs/dbraw/zinc/23/99/35/842239935.db2.gz KXHGXVZAORFQGL-KAGYGMCKSA-N 1 0 377.463 3.728 20 30 GHEDRO C(#CC[NH+]1CCC([C@H]2CCCCO2)CC1)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661864754 842248435 /nfs/dbraw/zinc/24/84/35/842248435.db2.gz CJUPHAQCIFIMBA-DNQXCXABSA-N 1 0 388.596 3.552 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000106767607 842267763 /nfs/dbraw/zinc/26/77/63/842267763.db2.gz OHNBNDCAIJXGDW-QGZVFWFLSA-N 1 0 379.435 3.800 20 30 GHEDRO CC[C@](C)(NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000933517217 842321725 /nfs/dbraw/zinc/32/17/25/842321725.db2.gz RUZZNQLRSMVNGE-SFHVURJKSA-N 1 0 382.430 3.553 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875806 861305514 /nfs/dbraw/zinc/30/55/14/861305514.db2.gz QJNQYCWKPGHZID-OAQYLSRUSA-N 1 0 396.579 3.910 20 30 GHEDRO CCn1nccc1C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000278982938 842416601 /nfs/dbraw/zinc/41/66/01/842416601.db2.gz ZJABVRZXRDYVRN-UHFFFAOYSA-N 1 0 397.548 3.533 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000178208050 842481016 /nfs/dbraw/zinc/48/10/16/842481016.db2.gz ICMPEWVCWHTMML-IBGZPJMESA-N 1 0 381.520 3.583 20 30 GHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000599300312 842693126 /nfs/dbraw/zinc/69/31/26/842693126.db2.gz WLTAKYNZBKACRC-AABGKKOBSA-N 1 0 378.557 3.508 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000329375912 861349093 /nfs/dbraw/zinc/34/90/93/861349093.db2.gz OATJGULNPPOMGF-PMAMDCHESA-N 1 0 399.579 3.999 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCc2nc(C#N)cs2)c1 ZINC000893660627 842841659 /nfs/dbraw/zinc/84/16/59/842841659.db2.gz AKMBQYFDNWHODH-UHFFFAOYSA-N 1 0 385.537 3.636 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599573378 861350987 /nfs/dbraw/zinc/35/09/87/861350987.db2.gz GCRNPFXCSWTYJI-VGSWGCGISA-N 1 0 392.503 3.856 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000891766420 842859762 /nfs/dbraw/zinc/85/97/62/842859762.db2.gz OXQJTTYNDFOTOA-QRWLVFNGSA-N 1 0 398.457 3.830 20 30 GHEDRO CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000510579232 842994997 /nfs/dbraw/zinc/99/49/97/842994997.db2.gz NHUYYCUIKJKGLN-FCHUYYIVSA-N 1 0 382.552 3.990 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000329395622 861371943 /nfs/dbraw/zinc/37/19/43/861371943.db2.gz XDHGKBLCAVGSHO-IEBWSBKVSA-N 1 0 375.488 3.509 20 30 GHEDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000512215262 843104987 /nfs/dbraw/zinc/10/49/87/843104987.db2.gz ZTSITHXNHQQYFD-HNAYVOBHSA-N 1 0 394.544 3.507 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599594345 861380602 /nfs/dbraw/zinc/38/06/02/861380602.db2.gz JYZMGLNRAMSBSS-IERDGZPVSA-N 1 0 389.565 3.798 20 30 GHEDRO CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000662400144 843185180 /nfs/dbraw/zinc/18/51/80/843185180.db2.gz KBDRKXGNCSIKSJ-UHFFFAOYSA-N 1 0 386.311 3.800 20 30 GHEDRO C[C@H](c1ccccc1)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000512241588 843191845 /nfs/dbraw/zinc/19/18/45/843191845.db2.gz HHYFPLGBMNRMNR-QGZVFWFLSA-N 1 0 385.471 3.908 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000613993061 843197257 /nfs/dbraw/zinc/19/72/57/843197257.db2.gz XUBUWLKUHJKBHS-JTSKRJEESA-N 1 0 376.504 3.829 20 30 GHEDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000329418061 861394105 /nfs/dbraw/zinc/39/41/05/861394105.db2.gz ZQEITKHFWPNGRE-ZIAGYGMSSA-N 1 0 382.302 3.571 20 30 GHEDRO CCC[C@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCOC1 ZINC000512263762 843249175 /nfs/dbraw/zinc/24/91/75/843249175.db2.gz UAQRHNDTRZTMFJ-QFIPXVFZSA-N 1 0 398.482 3.592 20 30 GHEDRO O=C(Nc1ncc(C2CCCCC2)s1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000329421703 861399071 /nfs/dbraw/zinc/39/90/71/861399071.db2.gz DWFLVMMONHNXOP-UHFFFAOYSA-N 1 0 392.569 3.781 20 30 GHEDRO [NH2+]=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)Nc1cccc(Oc2ccccc2)c1 ZINC000261602087 843307562 /nfs/dbraw/zinc/30/75/62/843307562.db2.gz BZPOLIIHXGZGLE-DYESRHJHSA-N 1 0 395.503 3.773 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000329429460 861407756 /nfs/dbraw/zinc/40/77/56/861407756.db2.gz HHKUUAJCYYMLIO-NRFANRHFSA-N 1 0 395.551 3.698 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430997003 843396776 /nfs/dbraw/zinc/39/67/76/843396776.db2.gz TYBVMLMZUDGMNL-UHFFFAOYSA-N 1 0 399.579 3.520 20 30 GHEDRO CCN(CCc1nccs1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000159312157 843516736 /nfs/dbraw/zinc/51/67/36/843516736.db2.gz SJZAGSYRFVOUJW-UHFFFAOYSA-N 1 0 388.562 3.848 20 30 GHEDRO C=CC(C)(C)CC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001126281353 843580372 /nfs/dbraw/zinc/58/03/72/843580372.db2.gz GGUODSXQHKRFFD-UHFFFAOYSA-N 1 0 383.458 3.676 20 30 GHEDRO CC(C)CN1CCO[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000236799793 843603580 /nfs/dbraw/zinc/60/35/80/843603580.db2.gz NZUIOUHWTBKFMZ-XMMPIXPASA-N 1 0 393.531 3.584 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[NH2+]1 ZINC000418597650 843653745 /nfs/dbraw/zinc/65/37/45/843653745.db2.gz HUQOCFQUYZSCRZ-HRAATJIYSA-N 1 0 380.467 3.550 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](O)C12CCCC2 ZINC000330324429 843681395 /nfs/dbraw/zinc/68/13/95/843681395.db2.gz ILOKQXLCKYQHKC-PMACEKPBSA-N 1 0 385.552 3.581 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ncc(Br)cc3F)CC2)cc1 ZINC000613918413 843721206 /nfs/dbraw/zinc/72/12/06/843721206.db2.gz RMSIEBXYCSNVTA-UHFFFAOYSA-N 1 0 389.272 3.567 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000512428238 843761187 /nfs/dbraw/zinc/76/11/87/843761187.db2.gz QSJNAJNASJOFIM-CVDCTZTESA-N 1 0 385.504 3.605 20 30 GHEDRO CCN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000134775378 843793482 /nfs/dbraw/zinc/79/34/82/843793482.db2.gz JMDJLVNYEZVODB-PGRDOPGGSA-N 1 0 376.504 3.925 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCCC[C@H]2C[C@H](C)O)ccc1Cl ZINC000512439900 843809118 /nfs/dbraw/zinc/80/91/18/843809118.db2.gz YCMUSDMZQUMGGQ-ROUUACIJSA-N 1 0 391.943 3.911 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000419302056 843942961 /nfs/dbraw/zinc/94/29/61/843942961.db2.gz FOLSXNSTSXTPKZ-SQGPQFPESA-N 1 0 385.533 3.556 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)CCCCCC1 ZINC000329463429 861477878 /nfs/dbraw/zinc/47/78/78/861477878.db2.gz QNZQQCQYPGJOIG-LJQANCHMSA-N 1 0 386.540 3.959 20 30 GHEDRO C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329466705 861479833 /nfs/dbraw/zinc/47/98/33/861479833.db2.gz VRYYQLJDTRJOON-IAGOWNOFSA-N 1 0 387.524 3.679 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1F ZINC000512621081 844763832 /nfs/dbraw/zinc/76/38/32/844763832.db2.gz UXWXRUFRPCYCPT-IXDOHACOSA-N 1 0 395.478 3.798 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000247662760 844819965 /nfs/dbraw/zinc/81/99/65/844819965.db2.gz XRNRTBLJYOEALB-HROJSSOGSA-N 1 0 375.516 3.764 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000614179153 844861862 /nfs/dbraw/zinc/86/18/62/844861862.db2.gz FWGIWQPEQGKEQI-QGZVFWFLSA-N 1 0 391.515 3.996 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc(C#C[Si](C)(C)C)cn1 ZINC001167939966 844863793 /nfs/dbraw/zinc/86/37/93/844863793.db2.gz ZIOFYXHOEZNOKQ-KRWDZBQOSA-N 1 0 375.589 3.562 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000433011222 844939139 /nfs/dbraw/zinc/93/91/39/844939139.db2.gz NFMFKKYMCVFQCG-JOCHJYFZSA-N 1 0 387.487 3.513 20 30 GHEDRO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433029122 845011472 /nfs/dbraw/zinc/01/14/72/845011472.db2.gz FNGMVKXBNXZEDX-IBGZPJMESA-N 1 0 385.895 3.990 20 30 GHEDRO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)OCC ZINC000535889404 845038866 /nfs/dbraw/zinc/03/88/66/845038866.db2.gz SCGUGMBNYWRRTQ-ZWKOTPCHSA-N 1 0 384.442 3.767 20 30 GHEDRO C[C@H](OC[C@@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC000599686702 861530259 /nfs/dbraw/zinc/53/02/59/861530259.db2.gz WAWRKRJVJSGXQE-KKSFZXQISA-N 1 0 384.907 3.903 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c(Br)c1 ZINC000433054653 845097772 /nfs/dbraw/zinc/09/77/72/845097772.db2.gz VRNFOFYIYHYAKG-UHFFFAOYSA-N 1 0 385.305 3.847 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)NCC#Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000509773287 845140346 /nfs/dbraw/zinc/14/03/46/845140346.db2.gz CIRGHWOUKHUBDF-NZQKXSOJSA-N 1 0 375.516 3.638 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000255428982 845231487 /nfs/dbraw/zinc/23/14/87/845231487.db2.gz MUFUAFCPQIMMIX-YPFLROGLSA-N 1 0 379.504 3.706 20 30 GHEDRO N#Cc1ccc(C[N@@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000542322128 845279091 /nfs/dbraw/zinc/27/90/91/845279091.db2.gz GECDPTSIBBUFPM-ISKFKSNPSA-N 1 0 376.500 3.978 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1C ZINC000329504584 861556464 /nfs/dbraw/zinc/55/64/64/861556464.db2.gz IJHXZQKUBFPXKW-AHHUIIKDSA-N 1 0 390.572 3.630 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000453353468 845490923 /nfs/dbraw/zinc/49/09/23/845490923.db2.gz IARYZEMTDCOZJF-CJNGLKHVSA-N 1 0 391.284 3.962 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[N@@H+](C2CCC2)C1 ZINC000433141966 845494487 /nfs/dbraw/zinc/49/44/87/845494487.db2.gz QZVSHBZPASKIDG-IBGZPJMESA-N 1 0 388.515 3.820 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCCC[C@H]3O)sc2C1 ZINC000481514630 861580975 /nfs/dbraw/zinc/58/09/75/861580975.db2.gz JDATVXLMNGFMGW-IIDMSEBBSA-N 1 0 389.565 3.556 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCc3ccc4c(c3)OCCO4)CC2)c(F)c1 ZINC000512802805 845576656 /nfs/dbraw/zinc/57/66/56/845576656.db2.gz XBKKYCVXOUYBFU-UHFFFAOYSA-N 1 0 382.435 3.554 20 30 GHEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261796114 845612025 /nfs/dbraw/zinc/61/20/25/845612025.db2.gz OWVLPXHMHXMGNP-OAQYLSRUSA-N 1 0 387.478 3.724 20 30 GHEDRO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000329526602 861591292 /nfs/dbraw/zinc/59/12/92/861591292.db2.gz HQAKFPILYAONQS-BHDDXSALSA-N 1 0 385.552 3.644 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000466905787 845773201 /nfs/dbraw/zinc/77/32/01/845773201.db2.gz HXAVTNDOSTYMDQ-UHFFFAOYSA-N 1 0 388.475 3.544 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1ccc(C#N)cc1 ZINC000728462386 846055273 /nfs/dbraw/zinc/05/52/73/846055273.db2.gz OAGDKTVXNJGSRR-PZJWPPBQSA-N 1 0 377.513 3.793 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000604033599 861650015 /nfs/dbraw/zinc/65/00/15/861650015.db2.gz DQDXKJOKTPGTCA-SFHVURJKSA-N 1 0 397.544 3.552 20 30 GHEDRO CC[N@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000119865746 846424262 /nfs/dbraw/zinc/42/42/62/846424262.db2.gz NNCLHBGQWQGVBY-QGZVFWFLSA-N 1 0 382.508 3.906 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc(OC)c1O ZINC000414539995 846431751 /nfs/dbraw/zinc/43/17/51/846431751.db2.gz OGDKYDQUFALMDR-QHCPKHFHSA-N 1 0 397.515 3.749 20 30 GHEDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551708685 846483699 /nfs/dbraw/zinc/48/36/99/846483699.db2.gz ZHICJOOLZVAQMO-QFIPXVFZSA-N 1 0 389.499 3.899 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000551718053 846487804 /nfs/dbraw/zinc/48/78/04/846487804.db2.gz MWPWHNNAUYYUSR-IBGZPJMESA-N 1 0 399.292 3.785 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000014515237 846517296 /nfs/dbraw/zinc/51/72/96/846517296.db2.gz AHLMNGWRCOTACT-PXNSSMCTSA-N 1 0 397.544 3.976 20 30 GHEDRO Cc1noc([C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)n1 ZINC000329041098 846529999 /nfs/dbraw/zinc/52/99/99/846529999.db2.gz OJNATUZPFQSXGH-JSGCOSHPSA-N 1 0 399.520 3.904 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000582180912 846595482 /nfs/dbraw/zinc/59/54/82/846595482.db2.gz WUSVDZVNSQTYGN-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)c3cc(C)oc32)CC1 ZINC000473548547 846619661 /nfs/dbraw/zinc/61/96/61/846619661.db2.gz GMBNHCQHILCUPZ-UHFFFAOYSA-N 1 0 377.282 3.884 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000684795379 846654095 /nfs/dbraw/zinc/65/40/95/846654095.db2.gz JJVKJIYGSUOHBR-ZQGJOIPISA-N 1 0 397.563 3.568 20 30 GHEDRO COc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(F)cc1C#N ZINC000599820268 861726396 /nfs/dbraw/zinc/72/63/96/861726396.db2.gz RZHFNOLAKSNGAR-INIZCTEOSA-N 1 0 388.468 3.726 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000555735272 861728878 /nfs/dbraw/zinc/72/88/78/861728878.db2.gz RNVPWVISKXZSNH-AWEZNQCLSA-N 1 0 395.425 3.716 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)c1C ZINC000271753097 846910970 /nfs/dbraw/zinc/91/09/70/846910970.db2.gz GHBQTUFGIBRDAM-NRFANRHFSA-N 1 0 379.504 3.654 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000611588986 846942775 /nfs/dbraw/zinc/94/27/75/846942775.db2.gz CLNQQRHLIHICSL-HNNXBMFYSA-N 1 0 384.505 3.669 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000118577546 847030766 /nfs/dbraw/zinc/03/07/66/847030766.db2.gz BQTNNDGFPWJIEA-SFHVURJKSA-N 1 0 399.457 3.733 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000481569094 861749407 /nfs/dbraw/zinc/74/94/07/861749407.db2.gz MLBSBBKVJZGSTR-LAUBAEHRSA-N 1 0 375.415 3.814 20 30 GHEDRO N#Cc1ccc([C@H](C(N)=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511110222 847071258 /nfs/dbraw/zinc/07/12/58/847071258.db2.gz WWHUAZTWUXMDKU-IEBWSBKVSA-N 1 0 387.405 3.983 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272678898 847143907 /nfs/dbraw/zinc/14/39/07/847143907.db2.gz MYOLGSZAZWHJOK-PKOBYXMFSA-N 1 0 378.476 3.716 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)cc1 ZINC000431403069 847163519 /nfs/dbraw/zinc/16/35/19/847163519.db2.gz LFBSHNCERCPPAW-AZUAARDMSA-N 1 0 386.540 3.625 20 30 GHEDRO C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501779324 847179830 /nfs/dbraw/zinc/17/98/30/847179830.db2.gz WFMXAZIEGQKAMT-DLBZAZTESA-N 1 0 382.533 3.543 20 30 GHEDRO C#Cc1ccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000731649572 861776811 /nfs/dbraw/zinc/77/68/11/861776811.db2.gz NGWMTLXRMUMLKX-UHFFFAOYSA-N 1 0 375.516 3.528 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)nc1 ZINC000329614816 861776919 /nfs/dbraw/zinc/77/69/19/861776919.db2.gz FGFPDMFRNCVBRV-QZTJIDSGSA-N 1 0 386.540 3.727 20 30 GHEDRO Cc1nn(C)c(N2CC[NH+](C[C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)c1C#N ZINC000501913839 847330549 /nfs/dbraw/zinc/33/05/49/847330549.db2.gz FQTWOUVNNIFBPD-CQSZACIVSA-N 1 0 391.441 3.545 20 30 GHEDRO Cc1nn(C)c(N2CC[NH+](C[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)c1C#N ZINC000501913836 847330955 /nfs/dbraw/zinc/33/09/55/847330955.db2.gz FQTWOUVNNIFBPD-AWEZNQCLSA-N 1 0 391.441 3.545 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)c1C#N ZINC000158369008 847342862 /nfs/dbraw/zinc/34/28/62/847342862.db2.gz PHSHBHFHLGIRDS-HXUWFJFHSA-N 1 0 397.567 3.590 20 30 GHEDRO CC(=O)NCC[N@H+](CCCC(C)(C)C#N)Cc1ccc(Br)s1 ZINC000503195617 847456070 /nfs/dbraw/zinc/45/60/70/847456070.db2.gz OYWNDLWHZHMVBH-UHFFFAOYSA-N 1 0 386.359 3.779 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000179817336 861798683 /nfs/dbraw/zinc/79/86/83/861798683.db2.gz GBNAIIQAWGRHBJ-UHFFFAOYSA-N 1 0 379.291 3.559 20 30 GHEDRO C=CCOc1ccccc1CNCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000414482058 847578928 /nfs/dbraw/zinc/57/89/28/847578928.db2.gz MGOGSJJBTASCLU-UHFFFAOYSA-N 1 0 379.909 3.988 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000421049862 847666977 /nfs/dbraw/zinc/66/69/77/847666977.db2.gz DOISJWNTGUHCSU-GOSISDBHSA-N 1 0 394.475 3.917 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)C ZINC000503436180 847693557 /nfs/dbraw/zinc/69/35/57/847693557.db2.gz NRQPSKVXJMJZQO-JOCHJYFZSA-N 1 0 380.536 3.934 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@@H]2SCC)cc1 ZINC000503459017 847728190 /nfs/dbraw/zinc/72/81/90/847728190.db2.gz INNIZMPJHKNBLT-MOPGFXCFSA-N 1 0 375.538 3.596 20 30 GHEDRO N#Cc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000562091103 847728888 /nfs/dbraw/zinc/72/88/88/847728888.db2.gz GWTRHLUKAFCCQV-OALUTQOASA-N 1 0 378.451 3.683 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000158618463 847770159 /nfs/dbraw/zinc/77/01/59/847770159.db2.gz ZCLKQWUPSJIYNY-UHFFFAOYSA-N 1 0 381.442 3.621 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)CC1 ZINC000934552807 847795737 /nfs/dbraw/zinc/79/57/37/847795737.db2.gz SBYVOHGHFOQAPB-UHFFFAOYSA-N 1 0 383.405 3.837 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](CCCCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000502508792 847951470 /nfs/dbraw/zinc/95/14/70/847951470.db2.gz SKFCAGIFZRWNSL-UHFFFAOYSA-N 1 0 385.467 3.724 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000604124286 861854264 /nfs/dbraw/zinc/85/42/64/861854264.db2.gz AOKVDEOYEFZFME-KRWDZBQOSA-N 1 0 389.293 3.585 20 30 GHEDRO COc1cc2cccnc2c(N(c2nc(Cl)cc(C#N)n2)[C@H](C)CCC[NH3+])c1 ZINC001167609924 848271786 /nfs/dbraw/zinc/27/17/86/848271786.db2.gz ALDCEHUPMHMPNW-CYBMUJFWSA-N 1 0 396.882 3.824 20 30 GHEDRO COc1cc2cccnc2c(N(c2ccc(C#N)c(OC)n2)[C@@H](C)CCC[NH3+])c1 ZINC001167612674 848330713 /nfs/dbraw/zinc/33/07/13/848330713.db2.gz OCACBBAZTCPNLB-HNNXBMFYSA-N 1 0 391.475 3.784 20 30 GHEDRO COc1ccccc1C/C(C)=C\C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000255549715 848420243 /nfs/dbraw/zinc/42/02/43/848420243.db2.gz XCWHETYTBAMNMO-CYVLTUHYSA-N 1 0 391.515 3.646 20 30 GHEDRO C=C(C)[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000481626115 861903526 /nfs/dbraw/zinc/90/35/26/861903526.db2.gz XQRHLPUNCNMWDP-IBGZPJMESA-N 1 0 381.444 3.654 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COCc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187769725 848450072 /nfs/dbraw/zinc/45/00/72/848450072.db2.gz FPWQQJFSGYIAKP-UTKZUKDTSA-N 1 0 377.431 3.758 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000185841165 861904703 /nfs/dbraw/zinc/90/47/03/861904703.db2.gz XFNMGHDEESVKEX-UHFFFAOYSA-N 1 0 399.498 3.828 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000180035380 861916620 /nfs/dbraw/zinc/91/66/20/861916620.db2.gz QELHHVCTIVFCHP-REWPJTCUSA-N 1 0 377.532 3.926 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2c(F)c(F)c(C#N)c(F)c2F)CCC([NH3+])CC1 ZINC001167643560 848792744 /nfs/dbraw/zinc/79/27/44/848792744.db2.gz IOULOEZVKIPFLN-UHFFFAOYSA-N 1 0 387.377 3.508 20 30 GHEDRO C[NH+](C)CCCOc1cnccc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000582993987 848842258 /nfs/dbraw/zinc/84/22/58/848842258.db2.gz DVALCYYZDFXFST-UHFFFAOYSA-N 1 0 392.425 3.592 20 30 GHEDRO CCSc1cc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)ccn1 ZINC000186883703 861986999 /nfs/dbraw/zinc/98/69/99/861986999.db2.gz DMIMLAWMACPCGQ-UHFFFAOYSA-N 1 0 384.427 3.697 20 30 GHEDRO CSc1nc(CN2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141929654 862005101 /nfs/dbraw/zinc/00/51/01/862005101.db2.gz ZWOUNZHTWPGRPS-OAHLLOKOSA-N 1 0 390.553 3.754 20 30 GHEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000079798128 849304153 /nfs/dbraw/zinc/30/41/53/849304153.db2.gz IVVRAZZYZNWSMP-FGSXEWAUSA-N 1 0 376.504 3.972 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000154732476 849349765 /nfs/dbraw/zinc/34/97/65/849349765.db2.gz KHSIEPFXRFQLSM-UHFFFAOYSA-N 1 0 382.479 3.919 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000155308842 849501220 /nfs/dbraw/zinc/50/12/20/849501220.db2.gz GGEGHVRSDJYMAK-MRXNPFEDSA-N 1 0 380.517 3.653 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2CNc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000052314580 849739979 /nfs/dbraw/zinc/73/99/79/849739979.db2.gz OINUAGFMLLRQBI-HOTGVXAUSA-N 1 0 380.448 3.688 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N[C@H]2c3ccccc3CC23CCOCC3)CCCCC1 ZINC000329686012 862055582 /nfs/dbraw/zinc/05/55/82/862055582.db2.gz FQNFOSPRGLJLIE-FQEVSTJZSA-N 1 0 385.552 3.849 20 30 GHEDRO CC[C@](C)(C#N)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000505540762 849813797 /nfs/dbraw/zinc/81/37/97/849813797.db2.gz ROOPUEPNXZNCIA-XMMPIXPASA-N 1 0 390.531 3.565 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)C1 ZINC000504010635 849842947 /nfs/dbraw/zinc/84/29/47/849842947.db2.gz OJPWTUYCPWVLNH-KDURUIRLSA-N 1 0 382.552 4.000 20 30 GHEDRO Cn1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2cc(F)ccc21 ZINC000366609855 849914482 /nfs/dbraw/zinc/91/44/82/849914482.db2.gz QLGUWRIBTHBZEP-UHFFFAOYSA-N 1 0 390.462 3.606 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481706004 862083302 /nfs/dbraw/zinc/08/33/02/862083302.db2.gz GTJQMCCOUIEECV-ZJSXRUAMSA-N 1 0 379.500 3.676 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)cc1 ZINC000504503013 850103565 /nfs/dbraw/zinc/10/35/65/850103565.db2.gz JFJQATYLHDIQCJ-YDJSWOFHSA-N 1 0 383.536 3.804 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000604362069 862094203 /nfs/dbraw/zinc/09/42/03/862094203.db2.gz FWJINPAAZPTDTN-DLBZAZTESA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000604362071 862094838 /nfs/dbraw/zinc/09/48/38/862094838.db2.gz FWJINPAAZPTDTN-IRXDYDNUSA-N 1 0 393.491 3.987 20 30 GHEDRO CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000329694433 862097703 /nfs/dbraw/zinc/09/77/03/862097703.db2.gz XAUVNWQZLVNALU-OAHLLOKOSA-N 1 0 382.302 3.626 20 30 GHEDRO CC(C)n1cc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1 ZINC000543503048 862104986 /nfs/dbraw/zinc/10/49/86/862104986.db2.gz LLCISCFEVKSXHZ-AWEZNQCLSA-N 1 0 385.537 3.955 20 30 GHEDRO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424113790 850227737 /nfs/dbraw/zinc/22/77/37/850227737.db2.gz OQIXMFXZODZVRE-RXVVDRJESA-N 1 0 379.504 3.676 20 30 GHEDRO CSc1cccc([C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccc(F)c(F)c2)c1 ZINC000424126240 850239600 /nfs/dbraw/zinc/23/96/00/850239600.db2.gz OXXXTLLXNDCOHA-RTBURBONSA-N 1 0 389.471 3.913 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C12CCCC2 ZINC000439668963 850252358 /nfs/dbraw/zinc/25/23/58/850252358.db2.gz FSBSFBNMTAEWCJ-JRGCBEDISA-N 1 0 399.535 3.658 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000908695112 850275087 /nfs/dbraw/zinc/27/50/87/850275087.db2.gz LZBZNJWPBYIWKW-AYWYSENESA-N 1 0 393.535 3.587 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000108362988 850277402 /nfs/dbraw/zinc/27/74/02/850277402.db2.gz MVCKVFXETBTGFP-ZHRRBRCNSA-N 1 0 399.514 3.523 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000424251799 850314516 /nfs/dbraw/zinc/31/45/16/850314516.db2.gz QURICDWKDZVHKY-WDSOQIARSA-N 1 0 387.597 3.875 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000486994553 850334909 /nfs/dbraw/zinc/33/49/09/850334909.db2.gz GEOZMTQDEXMMGZ-KXBFYZLASA-N 1 0 379.932 3.756 20 30 GHEDRO CC(C)Cc1ccc([C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)N(C)C)cc1 ZINC000514888948 850438130 /nfs/dbraw/zinc/43/81/30/850438130.db2.gz XLGOWIBGSKBSGP-QFIPXVFZSA-N 1 0 375.520 3.797 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C2(CCCCC2)C1 ZINC000174572547 850443194 /nfs/dbraw/zinc/44/31/94/850443194.db2.gz VOJLKOASGYCLKY-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)c1cccs1 ZINC000543504536 862135472 /nfs/dbraw/zinc/13/54/72/862135472.db2.gz VXQLTEGAWGWCNJ-UHFFFAOYSA-N 1 0 388.537 3.538 20 30 GHEDRO C=CCOc1ccc(CN(Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435423120 850503868 /nfs/dbraw/zinc/50/38/68/850503868.db2.gz RTSIKWCUJVYGGM-OAQYLSRUSA-N 1 0 380.536 3.612 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000505007013 850517692 /nfs/dbraw/zinc/51/76/92/850517692.db2.gz YQJWSWPDRTXYHM-GMAHTHKFSA-N 1 0 393.531 3.810 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000505011152 850520913 /nfs/dbraw/zinc/52/09/13/850520913.db2.gz QVMGUKPJXVCMMP-JTHBVZDNSA-N 1 0 393.531 3.810 20 30 GHEDRO C[C@@H](NC(=O)CSc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487254276 850623191 /nfs/dbraw/zinc/62/31/91/850623191.db2.gz YLPBNCHSTFRHSN-XLIONFOSSA-N 1 0 379.529 3.677 20 30 GHEDRO C=CCCCCC[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000899891702 862149286 /nfs/dbraw/zinc/14/92/86/862149286.db2.gz RIQSAOUYQVEVQP-SFHVURJKSA-N 1 0 384.442 3.503 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000515080591 850651794 /nfs/dbraw/zinc/65/17/94/850651794.db2.gz PKNZQUZAIMQHPR-OAQYLSRUSA-N 1 0 396.922 3.890 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1C#N ZINC000435559485 850666696 /nfs/dbraw/zinc/66/66/96/850666696.db2.gz YPLACXPMBBIIFF-UHFFFAOYSA-N 1 0 380.492 3.941 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000909284732 850688751 /nfs/dbraw/zinc/68/87/51/850688751.db2.gz DNFYPMJXZDZVDR-AZUAARDMSA-N 1 0 381.524 3.589 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000515139394 850710489 /nfs/dbraw/zinc/71/04/89/850710489.db2.gz AITKVVIZRXAFSB-HHXXYDBFSA-N 1 0 380.517 3.815 20 30 GHEDRO C=CCC[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000664497387 850765130 /nfs/dbraw/zinc/76/51/30/850765130.db2.gz RQWRLMNYUDQUCT-PKTZIBPZSA-N 1 0 393.531 3.760 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](N)c2ccccc2)cc1OC ZINC000414824969 850794328 /nfs/dbraw/zinc/79/43/28/850794328.db2.gz BNIVDVUMWNPYLQ-QGZVFWFLSA-N 1 0 391.309 3.812 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OCCOCC ZINC000435732317 850819683 /nfs/dbraw/zinc/81/96/83/850819683.db2.gz OLYFCZSDWGYDQY-HNAYVOBHSA-N 1 0 398.341 3.935 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000150034128 850842326 /nfs/dbraw/zinc/84/23/26/850842326.db2.gz JSROGUDUYNUZMB-UHFFFAOYSA-N 1 0 392.503 3.740 20 30 GHEDRO C#CCCCc1nnc(N2CC[C@@H](C[NH+](CC)CC)C2)n1Cc1cccs1 ZINC000909918485 850842384 /nfs/dbraw/zinc/84/23/84/850842384.db2.gz GSRZQRBCVWJZMK-SFHVURJKSA-N 1 0 385.581 3.512 20 30 GHEDRO CCNC(=O)Nc1ccc(C)c(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000331190282 862175571 /nfs/dbraw/zinc/17/55/71/862175571.db2.gz VIRLNUQCKUNWLC-UHFFFAOYSA-N 1 0 389.544 3.940 20 30 GHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)sc2C1 ZINC000425036984 850881244 /nfs/dbraw/zinc/88/12/44/850881244.db2.gz KACUGVLICSHZOM-UHFFFAOYSA-N 1 0 398.507 3.981 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000425410467 850894172 /nfs/dbraw/zinc/89/41/72/850894172.db2.gz CDBAJFWSSUZLKI-UDKICSLYSA-N 1 0 385.552 3.555 20 30 GHEDRO C=CCCOCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)[NH2+]C2(C)C ZINC000604446085 862185702 /nfs/dbraw/zinc/18/57/02/862185702.db2.gz VFPHKIQCCJIAGH-UHFFFAOYSA-N 1 0 394.537 3.615 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CNc3ccc(C#N)cc3)cc2)C1 ZINC000604446251 862185915 /nfs/dbraw/zinc/18/59/15/862185915.db2.gz JKYQIELTORGLEL-KDURUIRLSA-N 1 0 390.531 3.764 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000440289899 851010447 /nfs/dbraw/zinc/01/04/47/851010447.db2.gz ACZDYGIYEBFLTB-HXUWFJFHSA-N 1 0 391.515 3.911 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000435975702 851051810 /nfs/dbraw/zinc/05/18/10/851051810.db2.gz WRFCLRONOUFIFM-LBPRGKRZSA-N 1 0 386.359 3.911 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC(C)(C)[C@H]2C#N)C1 ZINC000435984156 851066047 /nfs/dbraw/zinc/06/60/47/851066047.db2.gz SMOPPSKIFUCGCS-JOCHJYFZSA-N 1 0 392.547 3.949 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000604440780 862206991 /nfs/dbraw/zinc/20/69/91/862206991.db2.gz SKBQTUIWWWHEAJ-ZNMIVQPWSA-N 1 0 386.565 3.649 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1 ZINC000514086699 851224749 /nfs/dbraw/zinc/22/47/49/851224749.db2.gz CHPMUCROWWAGBG-UHFFFAOYSA-N 1 0 387.867 3.689 20 30 GHEDRO C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1 ZINC000604482133 862225055 /nfs/dbraw/zinc/22/50/55/862225055.db2.gz AROSVMCILJBRRW-UWJYYQICSA-N 1 0 379.504 3.798 20 30 GHEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)c(C)c3)CC2)cs1 ZINC000488226625 851290752 /nfs/dbraw/zinc/29/07/52/851290752.db2.gz VVLJRXOGRNKMQE-QGZVFWFLSA-N 1 0 384.549 3.739 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000514233896 851436118 /nfs/dbraw/zinc/43/61/18/851436118.db2.gz GQDHRGLYEWXZAW-IBGZPJMESA-N 1 0 377.488 3.599 20 30 GHEDRO C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000488406746 851457574 /nfs/dbraw/zinc/45/75/74/851457574.db2.gz NITORLZLRGTCIU-UHFFFAOYSA-N 1 0 379.932 3.952 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000505497138 851556816 /nfs/dbraw/zinc/55/68/16/851556816.db2.gz XCXPXTKOWAGVIM-QHCPKHFHSA-N 1 0 399.498 3.619 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CN(C)CC#Cc2ccccc2Cl)[C@@H]1c1cnn(C)c1 ZINC000434741463 851608620 /nfs/dbraw/zinc/60/86/20/851608620.db2.gz FXEZVTFDRYYKOD-SIKLNZKXSA-N 1 0 384.955 3.830 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(F)cc(OCC)cc1F)CC2 ZINC001143570621 851632088 /nfs/dbraw/zinc/63/20/88/851632088.db2.gz GWIRMMVDDCMXAW-NRFANRHFSA-N 1 0 378.463 3.897 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)n1 ZINC000329740648 862283418 /nfs/dbraw/zinc/28/34/18/862283418.db2.gz OCDSKBOWOFYWQN-QZTJIDSGSA-N 1 0 386.540 3.727 20 30 GHEDRO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(C(=O)NCc3ccccc3)CC2)C1=O ZINC000329746872 862286999 /nfs/dbraw/zinc/28/69/99/862286999.db2.gz SASHLVLTLUAKMI-FQEVSTJZSA-N 1 0 385.552 3.892 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000488996236 851913717 /nfs/dbraw/zinc/91/37/17/851913717.db2.gz LHYKDWVJNKPGBW-UHFFFAOYSA-N 1 0 380.492 3.741 20 30 GHEDRO Cc1nnc(CNC(N[C@@H](C)c2cc(F)c(Cl)cc2Cl)=[NH+]C2CC2)n1C ZINC000261937770 851956585 /nfs/dbraw/zinc/95/65/85/851956585.db2.gz CWHQHDIYAJMTJU-VIFPVBQESA-N 1 0 399.301 3.528 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489044206 851962402 /nfs/dbraw/zinc/96/24/02/851962402.db2.gz PEKIVCLHYXNLEH-FQEVSTJZSA-N 1 0 389.503 3.878 20 30 GHEDRO Cc1nsc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C#N ZINC000436493722 851969107 /nfs/dbraw/zinc/96/91/07/851969107.db2.gz YEHKEIKGZNWNKG-CQSZACIVSA-N 1 0 383.521 3.877 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000329782060 862318380 /nfs/dbraw/zinc/31/83/80/862318380.db2.gz NRHYHYXCMRZVFX-LSDHHAIUSA-N 1 0 377.533 3.754 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)NCc1ccco1 ZINC000111399654 852103577 /nfs/dbraw/zinc/10/35/77/852103577.db2.gz PUPLIFZGZIOKDL-QGZVFWFLSA-N 1 0 389.455 3.525 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438189887 852121282 /nfs/dbraw/zinc/12/12/82/852121282.db2.gz LMVAPKJDSXIRPA-IBGZPJMESA-N 1 0 378.476 3.553 20 30 GHEDRO CCCCCCCC[C@@H]([NH3+])C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000912186264 852126864 /nfs/dbraw/zinc/12/68/64/852126864.db2.gz OUDZJMMTZIPUNT-HXUWFJFHSA-N 1 0 388.556 3.877 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 ZINC000102065923 852135614 /nfs/dbraw/zinc/13/56/14/852135614.db2.gz RGJFYTLANMNFON-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489337725 852228357 /nfs/dbraw/zinc/22/83/57/852228357.db2.gz AMBBLGJWOIBPHJ-GOSISDBHSA-N 1 0 393.487 3.829 20 30 GHEDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nnn1CC1CCCC1 ZINC000329807202 862334653 /nfs/dbraw/zinc/33/46/53/862334653.db2.gz AAGPFLAGQCVSCC-LAUBAEHRSA-N 1 0 395.551 3.992 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000473588853 852270013 /nfs/dbraw/zinc/27/00/13/852270013.db2.gz DEGYWQBFXRHDMF-HKUYNNGSSA-N 1 0 384.442 3.625 20 30 GHEDRO COc1ccc(CNC(NCCc2ccc(NC(C)=O)cc2)=[NH+]C(C)(C)C)cc1 ZINC000912509206 852313536 /nfs/dbraw/zinc/31/35/36/852313536.db2.gz XCOKOASTMNULEV-UHFFFAOYSA-N 1 0 396.535 3.730 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000517739612 852327322 /nfs/dbraw/zinc/32/73/22/852327322.db2.gz LUXIICXMMLJHHM-BRWVUGGUSA-N 1 0 395.469 3.723 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960341 852328809 /nfs/dbraw/zinc/32/88/09/852328809.db2.gz FKFGLUVDMSTBLS-UHFFFAOYSA-N 1 0 396.922 3.667 20 30 GHEDRO COc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000489523977 852410039 /nfs/dbraw/zinc/41/00/39/852410039.db2.gz PDNOZPLVEAAPCK-UHFFFAOYSA-N 1 0 391.515 3.660 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000029148678 852555693 /nfs/dbraw/zinc/55/56/93/852555693.db2.gz PLVZVZWNIKUYOK-JOCHJYFZSA-N 1 0 396.535 3.939 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000329854231 862374385 /nfs/dbraw/zinc/37/43/85/862374385.db2.gz WDKJTWVOJFJFTF-WQBCIRTESA-N 1 0 391.924 3.708 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507178985 852627992 /nfs/dbraw/zinc/62/79/92/852627992.db2.gz GMKAVUZDSHKTHJ-VGOFRKELSA-N 1 0 382.508 3.649 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000507180452 852630623 /nfs/dbraw/zinc/63/06/23/852630623.db2.gz NLNMIOMVILRYSF-SFTDATJTSA-N 1 0 381.516 3.961 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 ZINC000505953954 852686760 /nfs/dbraw/zinc/68/67/60/852686760.db2.gz KSZJNZMFELHAMP-OAQYLSRUSA-N 1 0 379.479 3.928 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)C2=O)cc1 ZINC000490002599 852698851 /nfs/dbraw/zinc/69/88/51/852698851.db2.gz GPZHNXKPFAVQIQ-QFIPXVFZSA-N 1 0 397.482 3.719 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437080161 852706839 /nfs/dbraw/zinc/70/68/39/852706839.db2.gz YAXGLXMKPJRJJZ-DZIBYMRMSA-N 1 0 393.487 3.983 20 30 GHEDRO C=CCN(CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)Cc1cccs1 ZINC000518002736 852720779 /nfs/dbraw/zinc/72/07/79/852720779.db2.gz ANJWEYRXTNEGCH-UHFFFAOYSA-N 1 0 397.588 3.779 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)cc(OC)c1 ZINC000490010516 852721952 /nfs/dbraw/zinc/72/19/52/852721952.db2.gz IHIJJSOFWGMPRN-SFHVURJKSA-N 1 0 381.476 3.531 20 30 GHEDRO COc1ccc(C2CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000490104758 852756503 /nfs/dbraw/zinc/75/65/03/852756503.db2.gz UZMDFDKWAJUGSB-QHCPKHFHSA-N 1 0 389.499 3.942 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC000669032588 852766220 /nfs/dbraw/zinc/76/62/20/852766220.db2.gz PAXDOEUZVBRNBV-AQNXPRMDSA-N 1 0 385.556 3.549 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)C1 ZINC000329877938 862391488 /nfs/dbraw/zinc/39/14/88/862391488.db2.gz JYXABQFBOYAXKQ-AOIWGVFYSA-N 1 0 376.545 3.663 20 30 GHEDRO C=CCOc1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000126539051 852788104 /nfs/dbraw/zinc/78/81/04/852788104.db2.gz ZITYUSGLMQEGHO-UHFFFAOYSA-N 1 0 393.531 3.603 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1ccccc1C ZINC000669033276 852788976 /nfs/dbraw/zinc/78/89/76/852788976.db2.gz KXFQBCUDDKGCCS-GIVPXCGWSA-N 1 0 393.535 3.650 20 30 GHEDRO C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490213118 852819436 /nfs/dbraw/zinc/81/94/36/852819436.db2.gz QUFSSRIZFANOQD-WIYYLYMNSA-N 1 0 391.515 3.742 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1N(C)C ZINC000507426002 852903783 /nfs/dbraw/zinc/90/37/83/852903783.db2.gz HDCPZRHACLGAFH-QRWLVFNGSA-N 1 0 380.467 3.610 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000507490582 852972160 /nfs/dbraw/zinc/97/21/60/852972160.db2.gz IRMSVLJWHFUZRW-CVEARBPZSA-N 1 0 383.517 3.975 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)ccc1C#N ZINC000490550757 853086402 /nfs/dbraw/zinc/08/64/02/853086402.db2.gz ZNSOLFVIVBWAAZ-OAHLLOKOSA-N 1 0 378.398 3.699 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000516869702 853097707 /nfs/dbraw/zinc/09/77/07/853097707.db2.gz NCKQGCCDXDBSEH-MRXNPFEDSA-N 1 0 381.476 3.533 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c(F)cccc3C#N)cc2)C1 ZINC000506464205 853193727 /nfs/dbraw/zinc/19/37/27/853193727.db2.gz AAJHIUIXVMMSGU-KRWDZBQOSA-N 1 0 379.479 3.788 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3ccc([N+](=O)[O-])cc3C#N)CC2)c1 ZINC000029587446 853253391 /nfs/dbraw/zinc/25/33/91/853253391.db2.gz PICVDAHJRIAFFL-UHFFFAOYSA-N 1 0 393.491 3.789 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000506479875 853258866 /nfs/dbraw/zinc/25/88/66/853258866.db2.gz ZLEGDWIGXNKZCP-UHFFFAOYSA-N 1 0 379.479 3.788 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2c(F)cccc2C#N)cc1 ZINC000506480471 853261269 /nfs/dbraw/zinc/26/12/69/853261269.db2.gz KERNYJGUHQVZEV-KRWDZBQOSA-N 1 0 379.479 3.931 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437562925 853271284 /nfs/dbraw/zinc/27/12/84/853271284.db2.gz ZTQOYHMEZOSDEU-NSHGMRRFSA-N 1 0 391.581 3.802 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000490845099 853307035 /nfs/dbraw/zinc/30/70/35/853307035.db2.gz PSSYBBVQWGCFEX-FQEVSTJZSA-N 1 0 380.492 3.921 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1c(F)cccc1C#N ZINC000506493965 853336116 /nfs/dbraw/zinc/33/61/16/853336116.db2.gz BIUFBFNHFXFSCJ-KRWDZBQOSA-N 1 0 379.479 3.931 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440530987 853348184 /nfs/dbraw/zinc/34/81/84/853348184.db2.gz ZSWLNOIQCZYXAA-UHFFFAOYSA-N 1 0 392.341 3.565 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000329957481 862455524 /nfs/dbraw/zinc/45/55/24/862455524.db2.gz PMDSIJSWDIZRMN-KMFTYDHNSA-N 1 0 396.535 3.580 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000437638317 853371823 /nfs/dbraw/zinc/37/18/23/853371823.db2.gz SNCKEWSOLPPIRV-ZNTQHIFFSA-N 1 0 399.579 3.945 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCC2(CCOCC2)CC1)C(C)C ZINC000439177330 853373478 /nfs/dbraw/zinc/37/34/78/853373478.db2.gz LCTMIKLQSQXITQ-FQEVSTJZSA-N 1 0 377.573 3.724 20 30 GHEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000329962837 862462653 /nfs/dbraw/zinc/46/26/53/862462653.db2.gz PNMXHWHJBFNRIK-KRWDZBQOSA-N 1 0 382.508 3.781 20 30 GHEDRO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000519795496 853479896 /nfs/dbraw/zinc/47/98/96/853479896.db2.gz YZUMFOOGLRPQTJ-GBXCKJPGSA-N 1 0 394.515 3.911 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000586776495 853518721 /nfs/dbraw/zinc/51/87/21/853518721.db2.gz UDPBLDJHTXEWMB-ONTLXTELSA-N 1 0 376.500 3.760 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)c3cc(Cl)cc4cccnc43)CC2)cc1 ZINC000054852296 853561948 /nfs/dbraw/zinc/56/19/48/853561948.db2.gz SAEQOLCIRUCJLV-UHFFFAOYSA-N 1 0 390.874 3.718 20 30 GHEDRO Cc1ccc(OCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000044775416 853838361 /nfs/dbraw/zinc/83/83/61/853838361.db2.gz VCURTYJHTKOPBP-UHFFFAOYSA-N 1 0 391.515 3.679 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000571396495 853866626 /nfs/dbraw/zinc/86/66/26/853866626.db2.gz GGEOTNKOCHBHGM-GOSISDBHSA-N 1 0 390.405 3.638 20 30 GHEDRO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(OC)c1 ZINC000520173920 853915816 /nfs/dbraw/zinc/91/58/16/853915816.db2.gz JCCAGKXBDIMAFE-UHFFFAOYSA-N 1 0 381.476 3.672 20 30 GHEDRO COCCOc1ccc(C#N)cc1N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571721658 854026550 /nfs/dbraw/zinc/02/65/50/854026550.db2.gz QLFWULMOUFJEPA-NQIIRXRSSA-N 1 0 379.504 3.906 20 30 GHEDRO CCN1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000157436983 854124093 /nfs/dbraw/zinc/12/40/93/854124093.db2.gz JLPLEFDGQCRPSJ-UHFFFAOYSA-N 1 0 388.581 3.633 20 30 GHEDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc2)c1 ZINC000112542488 854246586 /nfs/dbraw/zinc/24/65/86/854246586.db2.gz QEDFRRWYGSIWHK-RTBURBONSA-N 1 0 379.504 3.985 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc(OC)c1O ZINC000123054398 854316873 /nfs/dbraw/zinc/31/68/73/854316873.db2.gz WZZZPWULVBVEHA-UHFFFAOYSA-N 1 0 380.488 3.524 20 30 GHEDRO Cc1ccc(Nc2cccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2)nn1 ZINC000330071162 862553174 /nfs/dbraw/zinc/55/31/74/862553174.db2.gz IRWTUCXYOOPXSU-UHFFFAOYSA-N 1 0 379.508 3.662 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000330077572 862557438 /nfs/dbraw/zinc/55/74/38/862557438.db2.gz FGSLYDXJTNJHIE-UHFFFAOYSA-N 1 0 385.489 3.860 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000328724116 854505148 /nfs/dbraw/zinc/50/51/48/854505148.db2.gz SRJJGOBOHIYRKO-KRWDZBQOSA-N 1 0 393.959 3.624 20 30 GHEDRO Cc1ccc2c(c1)nc(CNC(=O)NC1CC[NH+](CC3CCCC3)CC1)n2C ZINC000328696987 854513533 /nfs/dbraw/zinc/51/35/33/854513533.db2.gz LCUQXLJNIDDWNY-UHFFFAOYSA-N 1 0 383.540 3.540 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000328774082 854536354 /nfs/dbraw/zinc/53/63/54/854536354.db2.gz RXSDAMDJIJAWTG-AQNXPRMDSA-N 1 0 398.551 3.784 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1nc(C2CCCCC2)no1 ZINC000328873424 854592307 /nfs/dbraw/zinc/59/23/07/854592307.db2.gz RBJOOIKFLWDDRD-YJBOKZPZSA-N 1 0 389.544 3.756 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000588978751 854625906 /nfs/dbraw/zinc/62/59/06/854625906.db2.gz APYBOGOAXLLIOJ-UHFFFAOYSA-N 1 0 392.286 3.952 20 30 GHEDRO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000328973774 854637418 /nfs/dbraw/zinc/63/74/18/854637418.db2.gz ATIXQNCEQAWMDB-OWCLPIDISA-N 1 0 392.931 3.825 20 30 GHEDRO CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330118247 862587599 /nfs/dbraw/zinc/58/75/99/862587599.db2.gz YGTICQYQGPWDHI-HRTMPFAESA-N 1 0 397.563 3.959 20 30 GHEDRO CCOC(=O)c1cc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(F)cc1C ZINC000330569079 854701339 /nfs/dbraw/zinc/70/13/39/854701339.db2.gz NTWVBUMFHUXETH-CQSZACIVSA-N 1 0 379.476 3.518 20 30 GHEDRO N#Cc1cc(O)cc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000589179344 854731848 /nfs/dbraw/zinc/73/18/48/854731848.db2.gz NZTRXJXVBFDDPA-UHFFFAOYSA-N 1 0 391.515 3.729 20 30 GHEDRO CC[NH+]1C[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000589161966 854732474 /nfs/dbraw/zinc/73/24/74/854732474.db2.gz CJOSWWWEOQOFEZ-HZPDHXFCSA-N 1 0 388.581 3.632 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000112543012 854763089 /nfs/dbraw/zinc/76/30/89/854763089.db2.gz GOBHCBNYWFLKIS-SJORKVTESA-N 1 0 383.467 3.816 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)C[C@@H]1C ZINC000330989145 854792344 /nfs/dbraw/zinc/79/23/44/854792344.db2.gz RUIPJDYNXOHRIH-DOTOQJQBSA-N 1 0 375.513 3.947 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)C[C@@H]1C ZINC000331178640 854822711 /nfs/dbraw/zinc/82/27/11/854822711.db2.gz WLCYSYUVIANCTD-PKOBYXMFSA-N 1 0 388.556 3.826 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000589364985 854829467 /nfs/dbraw/zinc/82/94/67/854829467.db2.gz ADGWZIHCLFEVJD-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000331242396 854831126 /nfs/dbraw/zinc/83/11/26/854831126.db2.gz RAJULVQCLKLMIH-INIZCTEOSA-N 1 0 375.557 3.538 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)cc1 ZINC000482020845 862615300 /nfs/dbraw/zinc/61/53/00/862615300.db2.gz QJPGSOVZHZUSLJ-GOTSBHOMSA-N 1 0 392.499 3.968 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2nc3ccccc3s2)c(-c2ccncc2)n1 ZINC000572646893 854915755 /nfs/dbraw/zinc/91/57/55/854915755.db2.gz OZUNVGRRIYUQGW-UHFFFAOYSA-N 1 0 388.500 3.801 20 30 GHEDRO O=C(Nc1ccccc1Br)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000330160581 862623836 /nfs/dbraw/zinc/62/38/36/862623836.db2.gz SCUMBKKQEIWMPR-HNNXBMFYSA-N 1 0 380.286 3.868 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000330165200 862627524 /nfs/dbraw/zinc/62/75/24/862627524.db2.gz WSBVQGJQQDTFGR-HXUWFJFHSA-N 1 0 381.524 3.723 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000017741327 855017071 /nfs/dbraw/zinc/01/70/71/855017071.db2.gz KYTHSESTIDICID-QFBILLFUSA-N 1 0 379.485 3.745 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(=O)NC1CCCCC1 ZINC000330178887 862636933 /nfs/dbraw/zinc/63/69/33/862636933.db2.gz DZYCRMSVAVGMIJ-XLIONFOSSA-N 1 0 386.540 3.690 20 30 GHEDRO O=C(CN1CCS[C@H]2COCC[C@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179688 862637252 /nfs/dbraw/zinc/63/72/52/862637252.db2.gz MQEKTHIMZZDIBS-CVEARBPZSA-N 1 0 393.509 3.744 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000056846321 855098123 /nfs/dbraw/zinc/09/81/23/855098123.db2.gz XEDRDYMHRLNXNW-UHFFFAOYSA-N 1 0 385.483 3.664 20 30 GHEDRO [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000330182202 862641924 /nfs/dbraw/zinc/64/19/24/862641924.db2.gz HBPUWPQUJPNHGD-CVEARBPZSA-N 1 0 389.297 3.712 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)CC1 ZINC000106036313 855170513 /nfs/dbraw/zinc/17/05/13/855170513.db2.gz WBAXTZYYJFKWPC-UHFFFAOYSA-N 1 0 382.508 3.994 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)cc1 ZINC000165649522 855173830 /nfs/dbraw/zinc/17/38/30/855173830.db2.gz XJNCAAAHCZMJSA-UHFFFAOYSA-N 1 0 383.448 3.929 20 30 GHEDRO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054643276 855177574 /nfs/dbraw/zinc/17/75/74/855177574.db2.gz CSKOIKMKXROCIE-HXUWFJFHSA-N 1 0 390.531 3.710 20 30 GHEDRO COc1ccc([C@@H]2C[C@@H]([NH+]3CCN(c4ccccc4C#N)CC3)CCO2)cc1 ZINC001168627781 855190549 /nfs/dbraw/zinc/19/05/49/855190549.db2.gz BVVZKKXYKGOSOO-REWPJTCUSA-N 1 0 377.488 3.609 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)[C@@H]2C1 ZINC000590045297 855249835 /nfs/dbraw/zinc/24/98/35/855249835.db2.gz ONMNGHLWAMTCCN-HNAYVOBHSA-N 1 0 381.863 3.780 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCCCO1 ZINC000106867497 855308240 /nfs/dbraw/zinc/30/82/40/855308240.db2.gz GSAFDLSBVUVIGC-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](CC3CC3)C2)c1C#N ZINC000590202388 855320511 /nfs/dbraw/zinc/32/05/11/855320511.db2.gz SACINVZNSKJMSL-GOSISDBHSA-N 1 0 380.492 3.678 20 30 GHEDRO O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000330214954 862668278 /nfs/dbraw/zinc/66/82/78/862668278.db2.gz GOKSDQROADLKSO-LPHOPBHVSA-N 1 0 399.539 3.521 20 30 GHEDRO N#CC1(NC(=O)C2CC(c3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000590323321 855361888 /nfs/dbraw/zinc/36/18/88/855361888.db2.gz MSTBPAOJRONBFR-UHFFFAOYSA-N 1 0 391.490 3.994 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(N=Nc3c(F)c(F)nc(F)c3F)CC2)cc1 ZINC000146239926 855478768 /nfs/dbraw/zinc/47/87/68/855478768.db2.gz XZHJSCHGEDFMHI-UHFFFAOYSA-N 1 0 377.345 3.574 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1cccc(C)c1 ZINC000186975959 862685564 /nfs/dbraw/zinc/68/55/64/862685564.db2.gz JHFXAKPGGUEOCJ-UHFFFAOYSA-O 1 0 383.537 3.934 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000459105582 855527666 /nfs/dbraw/zinc/52/76/66/855527666.db2.gz CIMRAVIYRFTMLT-UWJYYQICSA-N 1 0 394.494 3.892 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000590685629 855530552 /nfs/dbraw/zinc/53/05/52/855530552.db2.gz UONRZNLEQDVAAA-UHFFFAOYSA-N 1 0 377.330 3.808 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2nccc(C#N)n2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000590690437 855550196 /nfs/dbraw/zinc/55/01/96/855550196.db2.gz GBZBADSIRSMDJB-YOEHRIQHSA-N 1 0 375.398 3.862 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000590803871 855595711 /nfs/dbraw/zinc/59/57/11/855595711.db2.gz NOOVDMATIIUIRM-MRXNPFEDSA-N 1 0 379.464 3.694 20 30 GHEDRO COc1cc2c(cc1C[NH2+][C@H]1CCCN(c3ccc(C#N)cc3F)C1)O[C@@H](C)C2 ZINC000553901576 855619056 /nfs/dbraw/zinc/61/90/56/855619056.db2.gz MSXOKLCWMIGQNT-KXBFYZLASA-N 1 0 395.478 3.788 20 30 GHEDRO Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ncc1Br ZINC000301828834 855764632 /nfs/dbraw/zinc/76/46/32/855764632.db2.gz ONFLRWXCYVEWTQ-UHFFFAOYSA-N 1 0 385.309 3.737 20 30 GHEDRO N#Cc1ccc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000301875074 855775028 /nfs/dbraw/zinc/77/50/28/855775028.db2.gz MFONTISZJJTOGI-MSOLQXFVSA-N 1 0 375.394 3.624 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCO[C@H](c3ccc(OC)cc3)C1)CC2 ZINC001168645341 855776941 /nfs/dbraw/zinc/77/69/41/855776941.db2.gz SAGURHRTGMWSQR-CTNGQTDRSA-N 1 0 384.520 3.558 20 30 GHEDRO C[C@H](NC(=O)N(C)CC1(O)CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330282313 862720959 /nfs/dbraw/zinc/72/09/59/862720959.db2.gz VGBZJOSBKBUPOV-PZJWPPBQSA-N 1 0 387.568 3.828 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000302150213 855822298 /nfs/dbraw/zinc/82/22/98/855822298.db2.gz BBUIRTZGMCSKIE-HUUCEWRRSA-N 1 0 381.442 3.903 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2cc(C#N)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302223277 855842295 /nfs/dbraw/zinc/84/22/95/855842295.db2.gz UBPQVFNCXRCHTM-IYBDPMFKSA-N 1 0 380.448 3.688 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)ccc1OC ZINC000057964863 855880076 /nfs/dbraw/zinc/88/00/76/855880076.db2.gz MJIFWGZOBIUCBG-UHFFFAOYSA-N 1 0 396.531 3.772 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591285066 855884840 /nfs/dbraw/zinc/88/48/40/855884840.db2.gz ULEDBCYENQBTFU-IBGZPJMESA-N 1 0 378.476 3.709 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(F)(F)F ZINC000591305221 855901016 /nfs/dbraw/zinc/90/10/16/855901016.db2.gz ICLLFAPUBWDLCC-KGLIPLIRSA-N 1 0 396.413 3.700 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441664471 855902157 /nfs/dbraw/zinc/90/21/57/855902157.db2.gz QIHVQQFVKZJKBJ-PMPSAXMXSA-N 1 0 387.549 3.574 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2C)[NH+]2CCCCC2)cc1 ZINC000159470362 862739812 /nfs/dbraw/zinc/73/98/12/862739812.db2.gz ZDGAZAJKNYKPED-QFIPXVFZSA-N 1 0 377.488 3.832 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000591410020 855963437 /nfs/dbraw/zinc/96/34/37/855963437.db2.gz MLXGAKMRZFOHNR-YUXAGFNASA-N 1 0 378.520 3.594 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000482159866 862755708 /nfs/dbraw/zinc/75/57/08/862755708.db2.gz YZQOXIGYXYCBLL-SJLPKXTDSA-N 1 0 376.570 3.665 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)CC1 ZINC000542836585 856093610 /nfs/dbraw/zinc/09/36/10/856093610.db2.gz PQTVAOJEJOUDAA-UHFFFAOYSA-N 1 0 379.907 3.961 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000482164148 862764066 /nfs/dbraw/zinc/76/40/66/862764066.db2.gz OHVSPDAEFCIWGQ-URVUXULASA-N 1 0 384.568 3.812 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OCCOCC)CC1 ZINC000171640843 856212628 /nfs/dbraw/zinc/21/26/28/856212628.db2.gz ROAVCEFVGZMUEU-UHFFFAOYSA-N 1 0 381.904 3.527 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000674371117 856222136 /nfs/dbraw/zinc/22/21/36/856222136.db2.gz KMRNONKLSSKBDS-WIYYLYMNSA-N 1 0 394.544 3.879 20 30 GHEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1CCCc1c(Cl)cccc1Cl ZINC000482173564 862771688 /nfs/dbraw/zinc/77/16/88/862771688.db2.gz XFSRQJGOLGEDJL-CQSZACIVSA-N 1 0 390.318 3.798 20 30 GHEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000591727752 856234325 /nfs/dbraw/zinc/23/43/25/856234325.db2.gz FWBUYVZWRGLALY-PXNSSMCTSA-N 1 0 392.330 3.879 20 30 GHEDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000591764865 856269989 /nfs/dbraw/zinc/26/99/89/856269989.db2.gz MNMDKBIKJQFJSA-NRFANRHFSA-N 1 0 382.529 3.907 20 30 GHEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485286421 856308363 /nfs/dbraw/zinc/30/83/63/856308363.db2.gz LXCZUGGRXDWLTJ-FGZHOGPDSA-N 1 0 375.472 3.729 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCO[C@@H](c2ccccc2)C1)C(C)C ZINC000591843437 856342157 /nfs/dbraw/zinc/34/21/57/856342157.db2.gz HSNJHVBCKVOMLS-FCHUYYIVSA-N 1 0 385.552 3.858 20 30 GHEDRO COc1ccc([C@H]2C[C@H]([NH+]3CCN(c4ccc(C#N)cc4F)CC3)CCO2)cc1 ZINC001168666446 856353917 /nfs/dbraw/zinc/35/39/17/856353917.db2.gz VXRVAGHJPRURGO-AUSIDOKSSA-N 1 0 395.478 3.748 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000250506041 856372217 /nfs/dbraw/zinc/37/22/17/856372217.db2.gz KYTHSESTIDICID-APWZRJJASA-N 1 0 379.485 3.745 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]([NH+]3CCN(c4cccc(C#N)c4)CC3)CCO2)cc1 ZINC001168670339 856399334 /nfs/dbraw/zinc/39/93/34/856399334.db2.gz JNANBDZWOHVWAS-JTHBVZDNSA-N 1 0 377.488 3.609 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000181213218 862801102 /nfs/dbraw/zinc/80/11/02/862801102.db2.gz QHXWLMHLVKFNKN-KNQAVFIVSA-N 1 0 377.488 3.691 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000624839540 856450828 /nfs/dbraw/zinc/45/08/28/856450828.db2.gz ILFIPTSDRHRDLN-HMXCVIKNSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000624842658 856463881 /nfs/dbraw/zinc/46/38/81/856463881.db2.gz XPUQWLNFILRQAG-RCLSDMTESA-N 1 0 395.551 3.803 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000573829707 856510624 /nfs/dbraw/zinc/51/06/24/856510624.db2.gz QWCUAVIFIUOBRW-IEBWSBKVSA-N 1 0 382.370 3.506 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000485462816 856602097 /nfs/dbraw/zinc/60/20/97/856602097.db2.gz ONNWGSYONMEFMD-UHFFFAOYSA-N 1 0 387.593 3.595 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000573909097 856607441 /nfs/dbraw/zinc/60/74/41/856607441.db2.gz AYMUEODIVHVPBM-QFBILLFUSA-N 1 0 393.512 3.967 20 30 GHEDRO CC[N@H+](Cc1ccncc1C#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000592084167 856654024 /nfs/dbraw/zinc/65/40/24/856654024.db2.gz UMJTUEPMHXNYGG-UHFFFAOYSA-N 1 0 378.524 3.666 20 30 GHEDRO Cn1cc(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000592161022 856749914 /nfs/dbraw/zinc/74/99/14/856749914.db2.gz XOAFDPAKQMVAJN-UHFFFAOYSA-N 1 0 394.519 3.903 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000111048804 856754433 /nfs/dbraw/zinc/75/44/33/856754433.db2.gz WADOTKQINAYHID-AWEZNQCLSA-N 1 0 391.924 3.619 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)CC1 ZINC000592352060 856799311 /nfs/dbraw/zinc/79/93/11/856799311.db2.gz VLBHZOGLZUVJPA-OAQYLSRUSA-N 1 0 395.551 3.943 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N(c3cccc(OC)c3)C2)ccc1OC ZINC000508063240 856870330 /nfs/dbraw/zinc/87/03/30/856870330.db2.gz KBXLRJZDYRJFRT-GOSISDBHSA-N 1 0 396.487 3.554 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063081479 856885356 /nfs/dbraw/zinc/88/53/56/856885356.db2.gz SLDDHNUGIAQSJI-UHFFFAOYSA-N 1 0 393.556 3.820 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000007492882 856929602 /nfs/dbraw/zinc/92/96/02/856929602.db2.gz ZEGOWOZVNQLOEP-UHFFFAOYSA-N 1 0 388.924 3.732 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000330313958 862861593 /nfs/dbraw/zinc/86/15/93/862861593.db2.gz XOQPMCBTXWLMJJ-OALUTQOASA-N 1 0 375.561 3.855 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000111857004 857027789 /nfs/dbraw/zinc/02/77/89/857027789.db2.gz AYMGKVSDVOYHLP-KMFTYDHNSA-N 1 0 398.551 3.668 20 30 GHEDRO CC(C)N(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592694659 857029326 /nfs/dbraw/zinc/02/93/26/857029326.db2.gz MWUIXHJMOLDPON-GOSISDBHSA-N 1 0 383.442 3.962 20 30 GHEDRO N#C[C@]1(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC2CCC1CC2 ZINC000906436330 857078664 /nfs/dbraw/zinc/07/86/64/857078664.db2.gz LBENQWYARVWFLF-SXKUEDQZSA-N 1 0 377.532 3.756 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)ccc1OC ZINC000733329860 862872444 /nfs/dbraw/zinc/87/24/44/862872444.db2.gz BFPGYUHFQNNOBC-KRWDZBQOSA-N 1 0 380.448 3.958 20 30 GHEDRO N#Cc1sc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1Cl ZINC000888410926 857130158 /nfs/dbraw/zinc/13/01/58/857130158.db2.gz IIVPSOSUSWKCRE-CYBMUJFWSA-N 1 0 381.933 3.788 20 30 GHEDRO Cc1cc(C[N@H+](CCCCC(C)(C)C#N)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593064911 857183386 /nfs/dbraw/zinc/18/33/86/857183386.db2.gz UIYNIYIAGHDCJB-UHFFFAOYSA-N 1 0 377.554 3.635 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1cc(C#N)ccc1F ZINC000174027466 857199291 /nfs/dbraw/zinc/19/92/91/857199291.db2.gz BIOQYAJBHNFIBQ-QGZVFWFLSA-N 1 0 380.467 3.503 20 30 GHEDRO COc1ccc(C[C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1 ZINC000593082180 857317006 /nfs/dbraw/zinc/31/70/06/857317006.db2.gz JMGJKBXCGJTFDH-HXUWFJFHSA-N 1 0 377.488 3.993 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc(C#N)cc1Br ZINC000486017875 857337069 /nfs/dbraw/zinc/33/70/69/857337069.db2.gz QIRPOOWEKKYJAJ-LPHOPBHVSA-N 1 0 385.309 3.845 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000174891918 857402659 /nfs/dbraw/zinc/40/26/59/857402659.db2.gz AYKXUQPSSYLCLR-UXHICEINSA-N 1 0 390.531 3.968 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000442094851 857502460 /nfs/dbraw/zinc/50/24/60/857502460.db2.gz YHWFCGMSPIZEON-CQSZACIVSA-N 1 0 398.410 3.943 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1cccc(C#N)c1 ZINC000467438587 857583759 /nfs/dbraw/zinc/58/37/59/857583759.db2.gz HIZLNUVBEYZKFB-AWEZNQCLSA-N 1 0 386.293 3.870 20 30 GHEDRO CC[C@@H](C#N)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000593723017 857667289 /nfs/dbraw/zinc/66/72/89/857667289.db2.gz WXPYVEQMOHKHTR-VXKWHMMOSA-N 1 0 376.504 3.625 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000521188239 857709183 /nfs/dbraw/zinc/70/91/83/857709183.db2.gz SUPZLEHBLXYQJW-UHFFFAOYSA-N 1 0 386.499 3.844 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CCCCC)c2ccccc2)CC1 ZINC000804092575 857745180 /nfs/dbraw/zinc/74/51/80/857745180.db2.gz DTWTYKQAOAERCE-NRFANRHFSA-N 1 0 385.552 3.581 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000499642895 858000057 /nfs/dbraw/zinc/00/00/57/858000057.db2.gz VMROOSMPGNYDJL-UHFFFAOYSA-N 1 0 394.357 3.896 20 30 GHEDRO C=CCN1C(=O)N(CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000761049943 858003842 /nfs/dbraw/zinc/00/38/42/858003842.db2.gz JPGJTMDAVZRLNA-VWPQPMDRSA-N 1 0 397.563 3.806 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCC1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000442650724 858027728 /nfs/dbraw/zinc/02/77/28/858027728.db2.gz PIVKNTSYNHTPHC-JTTJXQCZSA-N 1 0 396.457 3.937 20 30 GHEDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000439012578 858034208 /nfs/dbraw/zinc/03/42/08/858034208.db2.gz AIMPDQVYYPGLSH-HNNXBMFYSA-N 1 0 378.432 3.878 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518397 858065469 /nfs/dbraw/zinc/06/54/69/858065469.db2.gz UVGVOPIBRLLYIJ-UHFFFAOYSA-N 1 0 387.487 3.821 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000114676166 858158999 /nfs/dbraw/zinc/15/89/99/858158999.db2.gz QPCJNITUMBHEKX-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594430181 858175309 /nfs/dbraw/zinc/17/53/09/858175309.db2.gz ZYILPRASAANTTK-SFHVURJKSA-N 1 0 379.464 3.989 20 30 GHEDRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440153 858178394 /nfs/dbraw/zinc/17/83/94/858178394.db2.gz VDFHPBHRLVMQSM-CVEARBPZSA-N 1 0 394.313 3.532 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000594445143 858179168 /nfs/dbraw/zinc/17/91/68/858179168.db2.gz AQYNTKAMCDAKTL-CYBMUJFWSA-N 1 0 378.687 3.553 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000594493821 858190299 /nfs/dbraw/zinc/19/02/99/858190299.db2.gz SHIXXJRPIBWSAM-QFIPXVFZSA-N 1 0 381.495 3.790 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000594496588 858192137 /nfs/dbraw/zinc/19/21/37/858192137.db2.gz OZRBOLAUPPBBBU-UHFFFAOYSA-N 1 0 376.909 3.705 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(OC)c3)C2)cc(OC)c1 ZINC000442878522 858200378 /nfs/dbraw/zinc/20/03/78/858200378.db2.gz FYCOIXXCVMYJIJ-SFHVURJKSA-N 1 0 381.476 3.661 20 30 GHEDRO CC(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000594513154 858205373 /nfs/dbraw/zinc/20/53/73/858205373.db2.gz LMYGDIBXTBCSOM-NRFANRHFSA-N 1 0 385.552 3.726 20 30 GHEDRO COC(=O)[C@]12C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]1CCCC2 ZINC000594608635 858241037 /nfs/dbraw/zinc/24/10/37/858241037.db2.gz GXBCMUTUJSLRAI-NFBKMPQASA-N 1 0 392.503 3.629 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(Cc3ccc(F)cc3F)C1=O)CC2 ZINC000555002414 858275161 /nfs/dbraw/zinc/27/51/61/858275161.db2.gz AFJNRIJYGANQAF-LEWJYISDSA-N 1 0 381.426 3.605 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000574782796 858317689 /nfs/dbraw/zinc/31/76/89/858317689.db2.gz GHBBJVWPCSCGDI-UXHICEINSA-N 1 0 390.487 3.519 20 30 GHEDRO C=CCOc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000521814677 858338077 /nfs/dbraw/zinc/33/80/77/858338077.db2.gz PFPCNKZCERZJRW-UHFFFAOYSA-N 1 0 389.293 3.534 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594931874 858338888 /nfs/dbraw/zinc/33/88/88/858338888.db2.gz SVHQNGZTENALSU-UHFFFAOYSA-N 1 0 390.531 3.925 20 30 GHEDRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594980236 858356073 /nfs/dbraw/zinc/35/60/73/858356073.db2.gz MXBXGMCAUHWTHF-UHFFFAOYSA-N 1 0 390.462 3.987 20 30 GHEDRO CC(C)C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1 ZINC000521822254 858356047 /nfs/dbraw/zinc/35/60/47/858356047.db2.gz HCRRMGRYQPQMCO-UHFFFAOYSA-N 1 0 375.472 3.703 20 30 GHEDRO N#Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000595056742 858366360 /nfs/dbraw/zinc/36/63/60/858366360.db2.gz VQQJCRRNNHMLCQ-VQTJNVASSA-N 1 0 387.483 3.688 20 30 GHEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000595044195 858377368 /nfs/dbraw/zinc/37/73/68/858377368.db2.gz MCOKLZOXBMXJQH-RTWAWAEBSA-N 1 0 381.907 3.923 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(CSC(F)F)o3)CC2)nc1 ZINC000067011015 858395055 /nfs/dbraw/zinc/39/50/55/858395055.db2.gz UQVOVNIALSBSBC-UHFFFAOYSA-N 1 0 378.448 3.761 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000595102604 858405614 /nfs/dbraw/zinc/40/56/14/858405614.db2.gz NQPUOLUJHABZNJ-UHFFFAOYSA-N 1 0 397.525 3.682 20 30 GHEDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000595227312 858445946 /nfs/dbraw/zinc/44/59/46/858445946.db2.gz DXADZNHNCQCPBY-FPOVZHCZSA-N 1 0 378.476 3.533 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCC34CC(C3)C[NH2+]4)cc2Cl)cc1 ZINC000595227780 858446044 /nfs/dbraw/zinc/44/60/44/858446044.db2.gz INXBFDPFQIYHPP-UHFFFAOYSA-N 1 0 382.851 3.877 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC(F)(F)F ZINC000595232108 858447376 /nfs/dbraw/zinc/44/73/76/858447376.db2.gz UGNOOXQVVZDWNS-CQSZACIVSA-N 1 0 396.413 3.700 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)Cc1ccccn1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521994440 858516851 /nfs/dbraw/zinc/51/68/51/858516851.db2.gz WNRHQYCXIDBRSG-FQEVSTJZSA-N 1 0 390.531 3.667 20 30 GHEDRO CC[N@@H+]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@H](C)C1 ZINC000595536141 858543417 /nfs/dbraw/zinc/54/34/17/858543417.db2.gz NAWLUPBDMVXKAQ-QGZVFWFLSA-N 1 0 399.583 3.836 20 30 GHEDRO N#Cc1ccc(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000595498078 858544658 /nfs/dbraw/zinc/54/46/58/858544658.db2.gz AZYBNUZQFXLHSH-NOTZXAQLSA-N 1 0 388.515 3.596 20 30 GHEDRO CN(C(=O)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1)C1(C#N)CCCCC1 ZINC000595552461 858565043 /nfs/dbraw/zinc/56/50/43/858565043.db2.gz WIJXPCMCNOWZDD-UHFFFAOYSA-N 1 0 393.535 3.502 20 30 GHEDRO N#CC[C@H]1CCCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000595620185 858619040 /nfs/dbraw/zinc/61/90/40/858619040.db2.gz JYWQRNPVALPBTQ-HXUWFJFHSA-N 1 0 377.488 3.507 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000595660024 858641814 /nfs/dbraw/zinc/64/18/14/858641814.db2.gz QIXVENVCJKQLBT-SFHVURJKSA-N 1 0 380.492 3.845 20 30 GHEDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CCO ZINC000595696319 858650391 /nfs/dbraw/zinc/65/03/91/858650391.db2.gz KCAPMOOVRIAKSH-MAUKXSAKSA-N 1 0 389.565 3.700 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC[C@@H]3Sc4ccccc4NC3=O)CCOCC2)c1 ZINC000595769850 858665970 /nfs/dbraw/zinc/66/59/70/858665970.db2.gz UJSSAGPOONKDCJ-FQEVSTJZSA-N 1 0 393.512 3.657 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)CCOCC2)c1 ZINC000595774184 858674162 /nfs/dbraw/zinc/67/41/62/858674162.db2.gz PNZIEDJPJKFFPQ-UHFFFAOYSA-N 1 0 381.432 3.531 20 30 GHEDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1C ZINC000595775769 858683968 /nfs/dbraw/zinc/68/39/68/858683968.db2.gz YBIBLYRJCORLOL-LJQANCHMSA-N 1 0 391.515 3.648 20 30 GHEDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000595847649 858693943 /nfs/dbraw/zinc/69/39/43/858693943.db2.gz AKUQXHSKHHBCKB-BGYRXZFFSA-N 1 0 394.471 3.529 20 30 GHEDRO C[C@@]1(C#N)CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595829493 858701245 /nfs/dbraw/zinc/70/12/45/858701245.db2.gz IFOBLRUHSNPILW-IRLDBZIGSA-N 1 0 380.536 3.624 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC000922183418 858711144 /nfs/dbraw/zinc/71/11/44/858711144.db2.gz LQJADTGYNNJUNE-UHFFFAOYSA-N 1 0 376.909 3.912 20 30 GHEDRO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595866916 858718914 /nfs/dbraw/zinc/71/89/14/858718914.db2.gz NCLIGRMJEXMPKB-LIRRHRJNSA-N 1 0 381.442 3.767 20 30 GHEDRO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000595872780 858721579 /nfs/dbraw/zinc/72/15/79/858721579.db2.gz GPMWSLGJRMVAKK-UHFFFAOYSA-N 1 0 387.572 3.740 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc(Cl)c4ncccc4n3)CC2)cc1 ZINC000596061558 858767254 /nfs/dbraw/zinc/76/72/54/858767254.db2.gz BLKNDXMJGZANMW-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO Cc1cc(N(C)C)ccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593142952 858771576 /nfs/dbraw/zinc/77/15/76/858771576.db2.gz BDQNNOCDKSLYRW-UHFFFAOYSA-N 1 0 391.519 3.719 20 30 GHEDRO CC[C@H](CNC(=O)CSc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000482708522 858783074 /nfs/dbraw/zinc/78/30/74/858783074.db2.gz VAFNNCVPMONQAL-HXUWFJFHSA-N 1 0 379.529 3.603 20 30 GHEDRO Cc1ccc(C#N)nc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000596243520 858827381 /nfs/dbraw/zinc/82/73/81/858827381.db2.gz IOULFHBBNJDHFL-HXUWFJFHSA-N 1 0 376.504 3.602 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000429267674 858874296 /nfs/dbraw/zinc/87/42/96/858874296.db2.gz YYKVOZQRZGMTPJ-CQSZACIVSA-N 1 0 384.398 3.687 20 30 GHEDRO N#Cc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c([N+](=O)[O-])c1 ZINC000596524468 858922506 /nfs/dbraw/zinc/92/25/06/858922506.db2.gz BDKHYSSKXUHNPS-GOSISDBHSA-N 1 0 377.448 3.576 20 30 GHEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000153203640 881360725 /nfs/dbraw/zinc/36/07/25/881360725.db2.gz YWZSFILOFWANQQ-LSDHHAIUSA-N 1 0 381.423 3.947 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000923009982 858944098 /nfs/dbraw/zinc/94/40/98/858944098.db2.gz HRYWZSXVVFNRAW-QUPDYRNUSA-N 1 0 386.499 3.646 20 30 GHEDRO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000116410841 858964217 /nfs/dbraw/zinc/96/42/17/858964217.db2.gz ORLNZROXDJDLMT-UNMCSNQZSA-N 1 0 382.529 3.591 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCOCC3)cc1 ZINC000923036239 858972444 /nfs/dbraw/zinc/97/24/44/858972444.db2.gz SGZQWLOUCDEZFU-LEWJYISDSA-N 1 0 385.552 3.879 20 30 GHEDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000596714677 858997030 /nfs/dbraw/zinc/99/70/30/858997030.db2.gz SKELKPFIVUSOOW-SFHVURJKSA-N 1 0 394.475 3.965 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000568143377 859010501 /nfs/dbraw/zinc/01/05/01/859010501.db2.gz OZLFPCDYSONJGZ-VXNXHJTFSA-N 1 0 375.516 3.815 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000596713600 859027260 /nfs/dbraw/zinc/02/72/60/859027260.db2.gz LAYAUUUAQCVSIK-OAHLLOKOSA-N 1 0 382.464 3.821 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000596796288 859080368 /nfs/dbraw/zinc/08/03/68/859080368.db2.gz KERJTYASOHMRHQ-UHFFFAOYSA-N 1 0 383.883 3.640 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CCc1ccc(C#N)cc1)CCO2 ZINC000922235740 859105117 /nfs/dbraw/zinc/10/51/17/859105117.db2.gz JNTKZDUJRCFXJU-HXUWFJFHSA-N 1 0 399.535 3.639 20 30 GHEDRO N#CC1(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCC1 ZINC000596857559 859139380 /nfs/dbraw/zinc/13/93/80/859139380.db2.gz PECPJQQZOFANGA-HSZRJFAPSA-N 1 0 380.536 3.768 20 30 GHEDRO [NH2+]=C(NCC1CCN(CC(F)(F)F)CC1)Nc1ccccc1OC(F)(F)F ZINC000187127545 859169819 /nfs/dbraw/zinc/16/98/19/859169819.db2.gz JBXXANUWQJBLEZ-UHFFFAOYSA-N 1 0 398.351 3.586 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCC(NC(=O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000596979201 859208851 /nfs/dbraw/zinc/20/88/51/859208851.db2.gz IQUVVXGYXODADI-UHFFFAOYSA-N 1 0 377.463 3.775 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)CC2)c1 ZINC000596988721 859229530 /nfs/dbraw/zinc/22/95/30/859229530.db2.gz JGALPIZTQQPGFI-QHCPKHFHSA-N 1 0 378.472 3.769 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000601413265 859244700 /nfs/dbraw/zinc/24/47/00/859244700.db2.gz WOBZWXPDWQWVBO-HXUWFJFHSA-N 1 0 379.891 3.654 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000483306398 859283648 /nfs/dbraw/zinc/28/36/48/859283648.db2.gz TXJDQIGUOQQJLI-OXQOHEQNSA-N 1 0 377.479 3.955 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(C)cc1 ZINC000131266362 859309026 /nfs/dbraw/zinc/30/90/26/859309026.db2.gz UBAFPODAOQIKFI-UHFFFAOYSA-O 1 0 397.948 3.966 20 30 GHEDRO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483412929 859348023 /nfs/dbraw/zinc/34/80/23/859348023.db2.gz SVDWKVDMUMEIQU-IFXJQAMLSA-N 1 0 381.442 3.767 20 30 GHEDRO C[C@H](Cc1cccs1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593307425 859369367 /nfs/dbraw/zinc/36/93/67/859369367.db2.gz PIPVONUQGFRUST-MRXNPFEDSA-N 1 0 382.533 3.515 20 30 GHEDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000597235979 859369808 /nfs/dbraw/zinc/36/98/08/859369808.db2.gz LJVKFLJWSVAWNN-SIKLNZKXSA-N 1 0 380.492 3.675 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](CF)c3ccc(F)cc3)CC2)c1 ZINC000601622880 859385731 /nfs/dbraw/zinc/38/57/31/859385731.db2.gz ZAXZSWAAXSYWKG-OAQYLSRUSA-N 1 0 398.457 3.672 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)C1=O ZINC000499733604 859397097 /nfs/dbraw/zinc/39/70/97/859397097.db2.gz KYYXTLSPOWKLKG-APWZRJJASA-N 1 0 397.544 3.785 20 30 GHEDRO Brc1ccc(N=NCC2(C[NH+]3CCOCC3)CCCCC2)nc1 ZINC000751132634 859406175 /nfs/dbraw/zinc/40/61/75/859406175.db2.gz GKGRCEOKVDNOAK-UHFFFAOYSA-N 1 0 381.318 3.525 20 30 GHEDRO Cc1cc(C)c(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC000593330003 859431303 /nfs/dbraw/zinc/43/13/03/859431303.db2.gz GFBVTSOCPXGPQO-UHFFFAOYSA-N 1 0 390.531 3.947 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597320093 859453881 /nfs/dbraw/zinc/45/38/81/859453881.db2.gz JIJBBTXSUCGTFG-QGZVFWFLSA-N 1 0 383.442 3.821 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597383363 859492736 /nfs/dbraw/zinc/49/27/36/859492736.db2.gz YWKUHSTXSWHNLR-UHFFFAOYSA-N 1 0 377.460 3.882 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCCc3cccc(F)c3)CC2)c1 ZINC000593341578 859493689 /nfs/dbraw/zinc/49/36/89/859493689.db2.gz HVOILFXXGUZHPX-UHFFFAOYSA-N 1 0 394.494 3.594 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(C4CCC4)n3CC3CC3)CC2)cc1 ZINC000597407986 859509309 /nfs/dbraw/zinc/50/93/09/859509309.db2.gz HPVNLXLQANENLO-UHFFFAOYSA-N 1 0 390.535 3.540 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001183044547 912212283 /nfs/dbraw/zinc/21/22/83/912212283.db2.gz JWXFFXWRYMJXFO-UHFFFAOYSA-N 1 0 382.426 3.943 20 30 GHEDRO COc1ccc(Cl)cc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352382 859533914 /nfs/dbraw/zinc/53/39/14/859533914.db2.gz HFCNZVLGARLJOF-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C[C@@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(F)c1 ZINC000593352449 859534931 /nfs/dbraw/zinc/53/49/31/859534931.db2.gz ATBXBIMUPYNHJJ-KRWDZBQOSA-N 1 0 379.479 3.972 20 30 GHEDRO C[C@H](Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352457 859535009 /nfs/dbraw/zinc/53/50/09/859535009.db2.gz AWJQIIASXJUWJM-QGZVFWFLSA-N 1 0 379.479 3.657 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@]34CCCc3ccccc34)CC2)c1 ZINC000593352862 859536844 /nfs/dbraw/zinc/53/68/44/859536844.db2.gz GCOHEJGCERPMOJ-AZGAKELHSA-N 1 0 399.538 3.933 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(-c4ccccc4)[nH]3)CC2)c1 ZINC000593355668 859544390 /nfs/dbraw/zinc/54/43/90/859544390.db2.gz XZKRYYLQBBCHHY-UHFFFAOYSA-N 1 0 384.483 3.948 20 30 GHEDRO C[C@@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593353743 859548982 /nfs/dbraw/zinc/54/89/82/859548982.db2.gz FKNZNEIKHARTGJ-KRWDZBQOSA-N 1 0 379.479 3.972 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4ccccc4cc3O)CC2)c1 ZINC000593354156 859552059 /nfs/dbraw/zinc/55/20/59/859552059.db2.gz XKZMAKHKURMJPU-UHFFFAOYSA-N 1 0 385.467 3.811 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3CCOc4ccccc43)CC2)c1 ZINC000593354285 859553155 /nfs/dbraw/zinc/55/31/55/859553155.db2.gz OLOAJHSZPOKWCF-HXUWFJFHSA-N 1 0 389.499 3.595 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2ccccc2s1 ZINC000060575948 859572196 /nfs/dbraw/zinc/57/21/96/859572196.db2.gz URLWMFLKYUPERB-UHFFFAOYSA-N 1 0 392.528 3.691 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000611036328 859583984 /nfs/dbraw/zinc/58/39/84/859583984.db2.gz LTOKNFBKTIHVDT-HXUWFJFHSA-N 1 0 399.535 3.605 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C#N)ccc1C)[NH+]1CCCC1 ZINC000069615087 859596294 /nfs/dbraw/zinc/59/62/94/859596294.db2.gz AUQCMINBNWRWSG-HXUWFJFHSA-N 1 0 378.476 3.834 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000611076595 859600784 /nfs/dbraw/zinc/60/07/84/859600784.db2.gz UUDFFDVDEOHMMO-XLIONFOSSA-N 1 0 394.494 3.797 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCc2ccc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000611076594 859600906 /nfs/dbraw/zinc/60/09/06/859600906.db2.gz UUDFFDVDEOHMMO-PXNSSMCTSA-N 1 0 394.494 3.797 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cncc(Br)c3)C2)c(F)c1 ZINC000466470710 859641430 /nfs/dbraw/zinc/64/14/30/859641430.db2.gz AXKNNPZFUCURLO-MRXNPFEDSA-N 1 0 389.272 3.613 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000757481852 881447438 /nfs/dbraw/zinc/44/74/38/881447438.db2.gz HPKNIKBXPGDOME-IBGZPJMESA-N 1 0 392.499 3.854 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1OC ZINC000466474633 859663437 /nfs/dbraw/zinc/66/34/37/859663437.db2.gz QMANJXAODVUYKH-FXAWDEMLSA-N 1 0 380.488 3.539 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)N2Cc3cccc(C#N)c3C2)C[N@@H+]1Cc1ccccc1 ZINC000593383949 859695042 /nfs/dbraw/zinc/69/50/42/859695042.db2.gz CGUGTGXFRSHMEQ-AZUAARDMSA-N 1 0 388.515 3.884 20 30 GHEDRO N#Cc1c(F)cccc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602022804 859708109 /nfs/dbraw/zinc/70/81/09/859708109.db2.gz HSICOVCYDDADCG-OAQYLSRUSA-N 1 0 393.506 3.716 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000895594078 859708087 /nfs/dbraw/zinc/70/80/87/859708087.db2.gz HLUUHEQENIQEKO-UHFFFAOYSA-N 1 0 382.430 3.507 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1cccc(C#N)c1 ZINC000611387377 859731876 /nfs/dbraw/zinc/73/18/76/859731876.db2.gz MITBAPXSKLUFBE-OAHLLOKOSA-N 1 0 393.878 3.746 20 30 GHEDRO CCOc1ccc2nc(NC(=O)C[NH2+][C@H](C)c3cccc(C#N)c3)sc2c1 ZINC000611386808 859732057 /nfs/dbraw/zinc/73/20/57/859732057.db2.gz AEOXVIWWBKRMLD-CYBMUJFWSA-N 1 0 380.473 3.856 20 30 GHEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000611387891 859733170 /nfs/dbraw/zinc/73/31/70/859733170.db2.gz HNSVYZNUKIVYKA-JXFKEZNVSA-N 1 0 393.487 3.590 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000611390729 859734009 /nfs/dbraw/zinc/73/40/09/859734009.db2.gz QRRBCGJTLILUEI-JOCHJYFZSA-N 1 0 377.463 3.969 20 30 GHEDRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000611392906 859736022 /nfs/dbraw/zinc/73/60/22/859736022.db2.gz UURLGXYWNWTMOK-YVEFUNNKSA-N 1 0 380.355 3.810 20 30 GHEDRO COC[C@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1cccc(C(F)(F)F)c1 ZINC000611396611 859736686 /nfs/dbraw/zinc/73/66/86/859736686.db2.gz BRFVBTFRBBQPMF-KRWDZBQOSA-N 1 0 394.393 3.942 20 30 GHEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391347 859741423 /nfs/dbraw/zinc/74/14/23/859741423.db2.gz GLSNBJAUYZLLMP-QFIPXVFZSA-N 1 0 397.544 3.754 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3CCC(F)(F)CC3)CC2)c1 ZINC000593403214 859743758 /nfs/dbraw/zinc/74/37/58/859743758.db2.gz OJUPSJUKKBEOBJ-UHFFFAOYSA-N 1 0 390.478 3.647 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)c2c1 ZINC000543452660 859764081 /nfs/dbraw/zinc/76/40/81/859764081.db2.gz MUZJCVSNFBDOMJ-UHFFFAOYSA-N 1 0 391.563 3.577 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C2(CO)CCCCC2)c1C#N ZINC000611463067 859764733 /nfs/dbraw/zinc/76/47/33/859764733.db2.gz SHINLNXCKGIFGL-UHFFFAOYSA-N 1 0 386.540 3.705 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC(C3CCC3)C3CCC3)CC2)c1 ZINC000593410816 859769073 /nfs/dbraw/zinc/76/90/73/859769073.db2.gz ZQEVTQNPNYJSHL-UHFFFAOYSA-N 1 0 380.536 3.791 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000611473324 859773056 /nfs/dbraw/zinc/77/30/56/859773056.db2.gz FIULDYSGHNUWDL-RPWUZVMVSA-N 1 0 375.516 3.552 20 30 GHEDRO C#CCC1(O)CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000895669890 859794604 /nfs/dbraw/zinc/79/46/04/859794604.db2.gz KLOMISANJHWINF-UHFFFAOYSA-N 1 0 391.334 3.923 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492370443 859839212 /nfs/dbraw/zinc/83/92/12/859839212.db2.gz AJWQJCIZGJQBNZ-FQEVSTJZSA-N 1 0 399.556 3.780 20 30 GHEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1F ZINC000593452158 859857560 /nfs/dbraw/zinc/85/75/60/859857560.db2.gz SWOHXTSSBHYLHS-NRFANRHFSA-N 1 0 382.483 3.922 20 30 GHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000765283210 859888691 /nfs/dbraw/zinc/88/86/91/859888691.db2.gz XVIYDMAVLWHBQR-ZWKOTPCHSA-N 1 0 383.515 3.633 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001127858673 859957688 /nfs/dbraw/zinc/95/76/88/859957688.db2.gz HDYHAETZKBPDPA-OXJNMPFZSA-N 1 0 386.417 3.694 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000895854104 860008636 /nfs/dbraw/zinc/00/86/36/860008636.db2.gz JFQDQDYPXJXTIG-CQSZACIVSA-N 1 0 383.414 3.679 20 30 GHEDRO CCN(CCc1cccs1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510825 860067965 /nfs/dbraw/zinc/06/79/65/860067965.db2.gz CUWXJWOSEXCIOF-UHFFFAOYSA-N 1 0 396.560 3.858 20 30 GHEDRO C[C@@H](CN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593511111 860070129 /nfs/dbraw/zinc/07/01/29/860070129.db2.gz GXMGGRGERLAJEG-IBGZPJMESA-N 1 0 390.531 3.968 20 30 GHEDRO COc1ccccc1[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)N1CCCCC1 ZINC000602518251 860070469 /nfs/dbraw/zinc/07/04/69/860070469.db2.gz OMKYZFKASHTOTE-CTNGQTDRSA-N 1 0 385.552 3.911 20 30 GHEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000593512211 860080616 /nfs/dbraw/zinc/08/06/16/860080616.db2.gz MDDCSDTVOXKDCV-JPYJTQIMSA-N 1 0 388.515 3.925 20 30 GHEDRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602527028 860099274 /nfs/dbraw/zinc/09/92/74/860099274.db2.gz ICMCFCUUKHBBCE-NVXWUHKLSA-N 1 0 377.916 3.616 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000602535777 860103819 /nfs/dbraw/zinc/10/38/19/860103819.db2.gz SJCPBKWXQUCHTC-RDJZCZTQSA-N 1 0 392.341 3.716 20 30 GHEDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000092705768 860108876 /nfs/dbraw/zinc/10/88/76/860108876.db2.gz QIUDDOBTISORSD-OAQYLSRUSA-N 1 0 377.488 3.628 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000602571153 860121686 /nfs/dbraw/zinc/12/16/86/860121686.db2.gz YFSLBJPTUUIQHV-JKSUJKDBSA-N 1 0 384.442 3.545 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000602551170 860126400 /nfs/dbraw/zinc/12/64/00/860126400.db2.gz MYFCKUAFEJMOCF-LBPRGKRZSA-N 1 0 391.821 3.821 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001170389229 881503272 /nfs/dbraw/zinc/50/32/72/881503272.db2.gz NOVAIQSAYKHVTL-APKLWFBNSA-N 1 0 394.540 3.939 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001170389072 881503564 /nfs/dbraw/zinc/50/35/64/881503564.db2.gz KCAVZKADLIHEAF-UHFFFAOYSA-N 1 0 391.490 3.988 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3cc(Cl)cc(C#N)c3)CC2)cc1 ZINC000487443104 860159919 /nfs/dbraw/zinc/15/99/19/860159919.db2.gz FLUFDGUOBKYOGJ-UHFFFAOYSA-N 1 0 397.906 3.633 20 30 GHEDRO Cc1cc(Sc2ncccn2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120305794 881506810 /nfs/dbraw/zinc/50/68/10/881506810.db2.gz QQHWQQHLMVVVDN-UHFFFAOYSA-N 1 0 398.536 3.636 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000598222083 860167573 /nfs/dbraw/zinc/16/75/73/860167573.db2.gz ZXRPYEWZZMUBFV-SFHVURJKSA-N 1 0 393.487 3.867 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)o2)c1 ZINC000328642999 860203150 /nfs/dbraw/zinc/20/31/50/860203150.db2.gz FDFXGGLSHUCILO-SFHVURJKSA-N 1 0 388.475 3.521 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000668370067 860210222 /nfs/dbraw/zinc/21/02/22/860210222.db2.gz MGJBHLQRWCSOOW-UHFFFAOYSA-N 1 0 395.341 3.763 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001128501779 860253257 /nfs/dbraw/zinc/25/32/57/860253257.db2.gz SHTUEYZXVHEQBJ-DEOSSOPVSA-N 1 0 378.516 3.822 20 30 GHEDRO Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc(C#N)n1 ZINC000555229943 860261746 /nfs/dbraw/zinc/26/17/46/860261746.db2.gz HHPSHQYODHGISI-HXUWFJFHSA-N 1 0 376.504 3.602 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000124258866 860294677 /nfs/dbraw/zinc/29/46/77/860294677.db2.gz YGVOIDJKUSVPLB-LJQANCHMSA-N 1 0 395.503 3.828 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3cccnc3)C1)CCC2 ZINC000602857634 860316639 /nfs/dbraw/zinc/31/66/39/860316639.db2.gz WSXFBNMTXWUYQU-INIZCTEOSA-N 1 0 380.517 3.712 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)nc1 ZINC000602913572 860363420 /nfs/dbraw/zinc/36/34/20/860363420.db2.gz WKOMGPXWFYEDEW-ZJSXRUAMSA-N 1 0 391.515 3.588 20 30 GHEDRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602914107 860365184 /nfs/dbraw/zinc/36/51/84/860365184.db2.gz XTZXLDZYYZGYPK-OAQYLSRUSA-N 1 0 378.476 3.559 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CC[C@H](C)C1 ZINC000484865040 860419527 /nfs/dbraw/zinc/41/95/27/860419527.db2.gz NHHKUUZJCIEFNH-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO CC(C)[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H](O)CC(C)(C)C#N ZINC000598601624 860430028 /nfs/dbraw/zinc/43/00/28/860430028.db2.gz VJULPWKORRBONE-AWEZNQCLSA-N 1 0 376.888 3.901 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000598603769 860431203 /nfs/dbraw/zinc/43/12/03/860431203.db2.gz KANXOYWQPKEORB-AZUAARDMSA-N 1 0 380.467 3.807 20 30 GHEDRO CC(C)[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](O)COc1cccc2ccccc21 ZINC000598589274 860435080 /nfs/dbraw/zinc/43/50/80/860435080.db2.gz HIZULZQFBGDPGR-UXHICEINSA-N 1 0 384.520 3.591 20 30 GHEDRO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590828 860435271 /nfs/dbraw/zinc/43/52/71/860435271.db2.gz QUOCXKUFVRSBTM-GDBMZVCRSA-N 1 0 381.314 3.895 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CCCC1 ZINC001127942643 860478604 /nfs/dbraw/zinc/47/86/04/860478604.db2.gz SHBSSAQDLFYDPI-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000598722903 860529498 /nfs/dbraw/zinc/52/94/98/860529498.db2.gz BQFNHOFEOJRBHJ-SFHVURJKSA-N 1 0 384.351 3.848 20 30 GHEDRO CN(C)C(=O)Cc1ccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170375914 881552364 /nfs/dbraw/zinc/55/23/64/881552364.db2.gz HQWFYYFPJVSUOS-UHFFFAOYSA-N 1 0 389.543 3.854 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000155653473 860568043 /nfs/dbraw/zinc/56/80/43/860568043.db2.gz VKZTVLZGQINUGR-UYAOXDASSA-N 1 0 383.442 3.530 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(F)F)ccc1F ZINC000598806520 860588259 /nfs/dbraw/zinc/58/82/59/860588259.db2.gz DGGZWOXFUWAOLY-UHFFFAOYSA-N 1 0 375.394 3.839 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cscc1C(F)(F)F ZINC000598807446 860588459 /nfs/dbraw/zinc/58/84/59/860588459.db2.gz JHGYICUEZNDTCV-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000624984626 860617073 /nfs/dbraw/zinc/61/70/73/860617073.db2.gz JSGVWYFPVGBIQJ-PIKOESSRSA-N 1 0 385.556 3.547 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000603318277 860646480 /nfs/dbraw/zinc/64/64/80/860646480.db2.gz SSRICMGKKPOZLD-CYBMUJFWSA-N 1 0 386.297 3.748 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000156137488 860690928 /nfs/dbraw/zinc/69/09/28/860690928.db2.gz YXQOZSYIRLVRKD-NQIIRXRSSA-N 1 0 395.453 3.963 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000599088333 860784275 /nfs/dbraw/zinc/78/42/75/860784275.db2.gz QFHLJOAOMJOHNO-BHDDXSALSA-N 1 0 393.918 3.688 20 30 GHEDRO N#Cc1csc(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)c1 ZINC000896510215 860800736 /nfs/dbraw/zinc/80/07/36/860800736.db2.gz NEKLGHXNERIXMJ-UHFFFAOYSA-N 1 0 383.452 3.659 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)c(OC)c1 ZINC000021583403 860844065 /nfs/dbraw/zinc/84/40/65/860844065.db2.gz OQDREOTWCJRSFX-KRWDZBQOSA-N 1 0 385.489 3.803 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593702227 860928466 /nfs/dbraw/zinc/92/84/66/860928466.db2.gz JZJLVHCYVXUVHS-QGZVFWFLSA-N 1 0 376.504 3.832 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)N2CCCC23CC[NH+](C)CC3)cc1OC ZINC000329028993 860958958 /nfs/dbraw/zinc/95/89/58/860958958.db2.gz ALXGJGGQNKMALO-MRXNPFEDSA-N 1 0 375.513 3.629 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000329058064 860981112 /nfs/dbraw/zinc/98/11/12/860981112.db2.gz ITFVRMANMRRAIX-UHFFFAOYSA-N 1 0 379.888 3.607 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCO1 ZINC000555793331 860997321 /nfs/dbraw/zinc/99/73/21/860997321.db2.gz VJYCGVCXLLCMFV-KRWDZBQOSA-N 1 0 375.538 3.574 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000593721608 861009967 /nfs/dbraw/zinc/00/99/67/861009967.db2.gz QUVOYJIHICSMIE-QGZVFWFLSA-N 1 0 377.488 3.645 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)CCOCC1 ZINC000599305878 861021950 /nfs/dbraw/zinc/02/19/50/861021950.db2.gz AUYRDCNLYLNPHB-LJQANCHMSA-N 1 0 378.463 3.781 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000329111766 861030425 /nfs/dbraw/zinc/03/04/25/861030425.db2.gz KETDZWOSSZSRNE-NRFANRHFSA-N 1 0 395.551 3.853 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000329118109 861036100 /nfs/dbraw/zinc/03/61/00/861036100.db2.gz OGSPGIPIMYLWJJ-QTCYRWPVSA-N 1 0 384.480 3.577 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1OC ZINC000623420673 861039848 /nfs/dbraw/zinc/03/98/48/861039848.db2.gz LXJLRIDHBRZPGJ-HZPDHXFCSA-N 1 0 380.916 3.650 20 30 GHEDRO Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329126228 861043750 /nfs/dbraw/zinc/04/37/50/861043750.db2.gz UDYODXFPJANBEK-QZTJIDSGSA-N 1 0 383.521 3.889 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCC[NH+]3CCCCCC3)cn2)cc1 ZINC000603689352 861046152 /nfs/dbraw/zinc/04/61/52/861046152.db2.gz IGSBHNGDNDURFP-UHFFFAOYSA-N 1 0 379.464 3.743 20 30 GHEDRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599315252 861054622 /nfs/dbraw/zinc/05/46/22/861054622.db2.gz HQWIPFIMFFQSTL-QFIPXVFZSA-N 1 0 394.515 3.769 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCN2C(=O)CSc3ccccc32)C1 ZINC000329136815 861055971 /nfs/dbraw/zinc/05/59/71/861055971.db2.gz RDEHDODOPUWIDN-MRXNPFEDSA-N 1 0 375.538 3.592 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1 ZINC000599317867 861056829 /nfs/dbraw/zinc/05/68/29/861056829.db2.gz LZLGFHZKJWPQCO-KRWDZBQOSA-N 1 0 385.533 3.748 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccc(OC)cc2)cc1 ZINC000599318946 861058475 /nfs/dbraw/zinc/05/84/75/861058475.db2.gz WOWBRRIJRUEONS-SIKLNZKXSA-N 1 0 380.488 3.632 20 30 GHEDRO Cn1ncc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1-c1ccccc1 ZINC000329153575 861074649 /nfs/dbraw/zinc/07/46/49/861074649.db2.gz AFHIANYYDGTWRJ-UHFFFAOYSA-N 1 0 384.549 3.753 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599359510 861123656 /nfs/dbraw/zinc/12/36/56/861123656.db2.gz RJXXRJLYNYEIQE-CRAIPNDOSA-N 1 0 385.533 3.841 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000599362090 861129153 /nfs/dbraw/zinc/12/91/53/861129153.db2.gz MGQVIHFBTYFZRV-AZUAARDMSA-N 1 0 378.451 3.561 20 30 GHEDRO COc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000555897826 861165482 /nfs/dbraw/zinc/16/54/82/861165482.db2.gz ITARCVAVOPQTGQ-FQEVSTJZSA-N 1 0 395.463 3.696 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000599411664 861181388 /nfs/dbraw/zinc/18/13/88/861181388.db2.gz BPIMODMKIGTDAU-PKOBYXMFSA-N 1 0 396.453 3.956 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000182282229 863175996 /nfs/dbraw/zinc/17/59/96/863175996.db2.gz WBDFGNBWHXYWDU-KRWDZBQOSA-N 1 0 379.460 3.630 20 30 GHEDRO C=C[C@@H](CC(=O)N(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000567980252 863182126 /nfs/dbraw/zinc/18/21/26/863182126.db2.gz VVTHMRKJGRMJFX-PZJWPPBQSA-N 1 0 392.547 3.734 20 30 GHEDRO CCCc1c(NC(=O)N2CC[NH+](CC(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439667328 863184250 /nfs/dbraw/zinc/18/42/50/863184250.db2.gz YEABAHLYRBOZHL-UHFFFAOYSA-N 1 0 394.523 3.502 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000733849847 863218089 /nfs/dbraw/zinc/21/80/89/863218089.db2.gz GENHHYLXWCOXIE-LJQANCHMSA-N 1 0 398.507 3.542 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000733852381 863218562 /nfs/dbraw/zinc/21/85/62/863218562.db2.gz XDJZEAZMEJONSA-FQEVSTJZSA-N 1 0 386.540 3.629 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)ccc1C#N ZINC000281696639 863330734 /nfs/dbraw/zinc/33/07/34/863330734.db2.gz NLOIIXMITKNLHS-UHFFFAOYSA-N 1 0 380.366 3.806 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)c(OC)c1 ZINC000175119470 863696633 /nfs/dbraw/zinc/69/66/33/863696633.db2.gz PYXBKRFUPRUXST-PZJWPPBQSA-N 1 0 384.520 3.729 20 30 GHEDRO CN(C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1)c1nc2ccccc2s1 ZINC000594033246 863806051 /nfs/dbraw/zinc/80/60/51/863806051.db2.gz LKENZWGDFQFUHL-UHFFFAOYSA-N 1 0 376.485 3.800 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000594044076 863890513 /nfs/dbraw/zinc/89/05/13/863890513.db2.gz NGIBAXNKUOSKPC-OAHLLOKOSA-N 1 0 381.442 3.612 20 30 GHEDRO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609204041 881720404 /nfs/dbraw/zinc/72/04/04/881720404.db2.gz JHTHITRXUQLFBE-HXUWFJFHSA-N 1 0 394.515 3.965 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@]2(CC)CO)cc1OC ZINC000475118416 864217817 /nfs/dbraw/zinc/21/78/17/864217817.db2.gz KFZXDXIWLHXUKK-SFHVURJKSA-N 1 0 384.314 3.759 20 30 GHEDRO C=CC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000734658338 864375340 /nfs/dbraw/zinc/37/53/40/864375340.db2.gz RZLBFIZQWQAXDM-NRFANRHFSA-N 1 0 378.520 3.835 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(CNC(=O)C[C@H](CC#N)c3ccccc3)c2)CCO1 ZINC000475166905 864376588 /nfs/dbraw/zinc/37/65/88/864376588.db2.gz YALDEJNWEXTRKC-XXBNENTESA-N 1 0 391.515 3.611 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)Nc1cc(C#N)ccc1OCCOC)c1ccccc1 ZINC000184419883 864456262 /nfs/dbraw/zinc/45/62/62/864456262.db2.gz UFEYJYPOLXJKDR-NRFANRHFSA-N 1 0 381.476 3.605 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734843267 864473066 /nfs/dbraw/zinc/47/30/66/864473066.db2.gz IJNZRILSCQUBCF-ZMYBRWDISA-N 1 0 378.394 3.602 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000554520110 864480290 /nfs/dbraw/zinc/48/02/90/864480290.db2.gz NUMBMWXFNNUUSQ-SFHVURJKSA-N 1 0 378.520 3.778 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C(C)C)C2CCOCC2)ccc1Cl ZINC000163606893 864540564 /nfs/dbraw/zinc/54/05/64/864540564.db2.gz GMZWCAXZTYNMOD-UHFFFAOYSA-N 1 0 377.916 3.785 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc2c(cc1F)NC(=O)CC2)C(C)C ZINC000120841721 881782636 /nfs/dbraw/zinc/78/26/36/881782636.db2.gz DBAVCGKUQLSGSX-IBGZPJMESA-N 1 0 388.487 3.531 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000667674229 864630608 /nfs/dbraw/zinc/63/06/08/864630608.db2.gz XZLGYZDAKVSWPL-OCCSQVGLSA-N 1 0 382.302 3.605 20 30 GHEDRO C=CCc1cc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000735214968 864684775 /nfs/dbraw/zinc/68/47/75/864684775.db2.gz SETYLIWXFQLRQU-HXUWFJFHSA-N 1 0 381.472 3.864 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(CC#N)c1)[NH+]1CCCC1 ZINC000455945622 864689807 /nfs/dbraw/zinc/68/98/07/864689807.db2.gz LOFGUSYGCZNWIW-HXUWFJFHSA-N 1 0 378.476 3.720 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455945550 864691015 /nfs/dbraw/zinc/69/10/15/864691015.db2.gz WIDWOUVDLQRHIO-QFIPXVFZSA-N 1 0 392.503 3.788 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(CCc4ccc(O)cc4)CC3)C2=O)cc1 ZINC000025937493 864810859 /nfs/dbraw/zinc/81/08/59/864810859.db2.gz GAJDMVQJKNGVDV-QHCPKHFHSA-N 1 0 389.499 3.714 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186326595 864829170 /nfs/dbraw/zinc/82/91/70/864829170.db2.gz QKTPROKACLFJGE-QFIPXVFZSA-N 1 0 376.504 3.610 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1cc2ccccc2c(OC)c1)C1CC[NH+](C)CC1 ZINC000898912894 864874639 /nfs/dbraw/zinc/87/46/39/864874639.db2.gz ONSYPVVPVKTTDE-QGZVFWFLSA-N 1 0 379.504 3.648 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H]1C ZINC000475372458 864886914 /nfs/dbraw/zinc/88/69/14/864886914.db2.gz OCHUKPXHYYVLJZ-HTAPYJJXSA-N 1 0 378.472 3.768 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000583665894 864952183 /nfs/dbraw/zinc/95/21/83/864952183.db2.gz SMKJPMSKPKPIRU-HZMBPMFUSA-N 1 0 390.119 3.677 20 30 GHEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262485694 864965966 /nfs/dbraw/zinc/96/59/66/864965966.db2.gz SMFOODXEXQUEHH-QGZVFWFLSA-N 1 0 379.533 3.524 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc3c(cccc3Br)s2)CC1 ZINC000494519628 881821395 /nfs/dbraw/zinc/82/13/95/881821395.db2.gz NNVIIHPVMSIRPT-UHFFFAOYSA-N 1 0 395.326 3.831 20 30 GHEDRO CC#CCCCc1nc(-c2cc3c([nH]c2=O)CC[N@H+](Cc2ccccc2)C3)no1 ZINC000897256788 864986589 /nfs/dbraw/zinc/98/65/89/864986589.db2.gz LLFLLSPEODDDIW-UHFFFAOYSA-N 1 0 388.471 3.742 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC4(CC3)C[C@H](O)CCO4)c2)c1 ZINC000897262206 865006221 /nfs/dbraw/zinc/00/62/21/865006221.db2.gz VNMBEVBPZNVDQG-JOCHJYFZSA-N 1 0 392.499 3.643 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000554840767 865027927 /nfs/dbraw/zinc/02/79/27/865027927.db2.gz DSYNLMQLBHNGGN-KGLIPLIRSA-N 1 0 391.393 3.985 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000897268208 865040791 /nfs/dbraw/zinc/04/07/91/865040791.db2.gz VZRFSDCCVXUGDK-QFIPXVFZSA-N 1 0 391.515 3.887 20 30 GHEDRO C=CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccccc1 ZINC000554852861 865046880 /nfs/dbraw/zinc/04/68/80/865046880.db2.gz SYPXWFQUBXXWEB-UHFFFAOYSA-N 1 0 391.559 3.764 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1C#N ZINC000567467848 865052034 /nfs/dbraw/zinc/05/20/34/865052034.db2.gz SGEQVXPYFMPTBM-NQIIRXRSSA-N 1 0 398.551 3.921 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173964740 865261218 /nfs/dbraw/zinc/26/12/18/865261218.db2.gz YSNYLMBLELINMP-IRXDYDNUSA-N 1 0 380.448 3.889 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCCC(=O)N2)C(C)C ZINC000171527630 865278186 /nfs/dbraw/zinc/27/81/86/865278186.db2.gz QBQRDJJVFWVVTI-FQEVSTJZSA-N 1 0 384.524 3.782 20 30 GHEDRO C=CC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000480798120 865289495 /nfs/dbraw/zinc/28/94/95/865289495.db2.gz XTWJYTFOUDYKDG-SFHVURJKSA-N 1 0 375.476 3.793 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(Cc3ccc(F)cc3F)C1=O)CC2 ZINC000555002416 865317588 /nfs/dbraw/zinc/31/75/88/865317588.db2.gz AFJNRIJYGANQAF-NHCUHLMSSA-N 1 0 381.426 3.605 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H]([NH+](C)C)C2)c1=S ZINC000738145233 865501791 /nfs/dbraw/zinc/50/17/91/865501791.db2.gz SHKCRXWDBZZNFI-KRWDZBQOSA-N 1 0 391.972 3.904 20 30 GHEDRO CCN(c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1)C(C)C ZINC000063863392 865504518 /nfs/dbraw/zinc/50/45/18/865504518.db2.gz ITUGLPJTUUXOFP-UHFFFAOYSA-N 1 0 392.547 3.997 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc1-c1ccncc1 ZINC000738268952 865511100 /nfs/dbraw/zinc/51/11/00/865511100.db2.gz DVXFLOICGKDWNX-IBGZPJMESA-N 1 0 398.580 3.570 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc1-c1ccco1 ZINC000738273330 865512799 /nfs/dbraw/zinc/51/27/99/865512799.db2.gz ZBLFNCCTHVBCGC-KRWDZBQOSA-N 1 0 387.553 3.768 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000738441024 865541420 /nfs/dbraw/zinc/54/14/20/865541420.db2.gz YTHFVHCWDWAKRG-RUZDIDTESA-N 1 0 398.506 3.716 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000555132321 865552828 /nfs/dbraw/zinc/55/28/28/865552828.db2.gz JYVITYJXIZCRAI-CTNGQTDRSA-N 1 0 379.495 3.503 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172581782 865630108 /nfs/dbraw/zinc/63/01/08/865630108.db2.gz ZFLFYWBVSQIMHV-OAQYLSRUSA-N 1 0 396.579 3.889 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172581785 865630327 /nfs/dbraw/zinc/63/03/27/865630327.db2.gz ZFLFYWBVSQIMHV-NRFANRHFSA-N 1 0 396.579 3.889 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2cc(Nc3ccc(OC)cc3OC)ncn2)CC1 ZINC000302051950 865686697 /nfs/dbraw/zinc/68/66/97/865686697.db2.gz OMZGIGCQLFYFHU-UHFFFAOYSA-N 1 0 383.496 3.690 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000608784375 865692770 /nfs/dbraw/zinc/69/27/70/865692770.db2.gz FGUDEOPCPLMXRW-JOCHJYFZSA-N 1 0 382.479 3.586 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccsc1 ZINC000608811946 865718319 /nfs/dbraw/zinc/71/83/19/865718319.db2.gz YEWHSGPMMHSYBY-IBGZPJMESA-N 1 0 395.484 3.824 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(C#N)cc1 ZINC000740000692 865823118 /nfs/dbraw/zinc/82/31/18/865823118.db2.gz PFKBEPZEKRAMLT-HSZRJFAPSA-N 1 0 391.515 3.938 20 30 GHEDRO C#CCSCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000740014133 865844603 /nfs/dbraw/zinc/84/46/03/865844603.db2.gz DWMZWHNZWMGBDA-UHFFFAOYSA-N 1 0 391.334 3.879 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)CC1 ZINC000740735937 865974801 /nfs/dbraw/zinc/97/48/01/865974801.db2.gz VZDCETVDTKDQKR-UHFFFAOYSA-N 1 0 398.453 3.858 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc(OCc3cccc(C)c3)c2)CC1 ZINC000740738122 865976490 /nfs/dbraw/zinc/97/64/90/865976490.db2.gz VGMCLTRFDUIMRC-UHFFFAOYSA-N 1 0 376.500 3.792 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000481193378 865980125 /nfs/dbraw/zinc/98/01/25/865980125.db2.gz SPXDTPGOTYFTSC-IFMALSPDSA-N 1 0 382.529 3.723 20 30 GHEDRO N#Cc1c(F)cccc1CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000428352610 865999443 /nfs/dbraw/zinc/99/94/43/865999443.db2.gz RGSOJDOYHRESAR-KRWDZBQOSA-N 1 0 395.482 3.929 20 30 GHEDRO Cc1sc(NC(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000481204057 866003481 /nfs/dbraw/zinc/00/34/81/866003481.db2.gz UMTHPUYZKXSIAK-QRWLVFNGSA-N 1 0 396.560 3.675 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508487179 866040020 /nfs/dbraw/zinc/04/00/20/866040020.db2.gz DXBQLMHSFLACKE-UHFFFAOYSA-N 1 0 390.535 3.766 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508486790 866065357 /nfs/dbraw/zinc/06/53/57/866065357.db2.gz CWRFHUWOWJGVOO-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H]1[NH+](C)C ZINC000534091471 866117978 /nfs/dbraw/zinc/11/79/78/866117978.db2.gz GYAAGMPDBHGFAA-PXNSSMCTSA-N 1 0 397.569 3.827 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000475547353 866233862 /nfs/dbraw/zinc/23/38/62/866233862.db2.gz KUDNEBRPMWLIGQ-FQEVSTJZSA-N 1 0 380.488 3.607 20 30 GHEDRO C[C@H]1CN(C(=O)[C@H](C#N)CCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456316508 866418931 /nfs/dbraw/zinc/41/89/31/866418931.db2.gz AHRGMLQPGACOHJ-OFNKIYASSA-N 1 0 375.516 3.739 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000909602763 866554664 /nfs/dbraw/zinc/55/46/64/866554664.db2.gz ZOVAHGLKJDHAFE-SFHVURJKSA-N 1 0 388.512 3.582 20 30 GHEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000475600886 866626891 /nfs/dbraw/zinc/62/68/91/866626891.db2.gz LLTIXVPEVOLVLK-LBPRGKRZSA-N 1 0 389.550 3.807 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115566149 866783083 /nfs/dbraw/zinc/78/30/83/866783083.db2.gz DYAJBGVZRAUNEY-NYLDSWQDSA-N 1 0 382.552 3.518 20 30 GHEDRO c1ccc(-c2nc3c(c(N=NC4CC[NH+](C5CCCC5)CC4)n2)CCC3)nc1 ZINC000741813603 866809109 /nfs/dbraw/zinc/80/91/09/866809109.db2.gz UIPJCRWXHLWRDK-UHFFFAOYSA-N 1 0 376.508 3.834 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183572359 866856292 /nfs/dbraw/zinc/85/62/92/866856292.db2.gz OEIDULDWTMMBAP-ZVLZEYJHSA-N 1 0 393.535 3.842 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189893741 882035990 /nfs/dbraw/zinc/03/59/90/882035990.db2.gz JZKHKLVGYLVQAZ-AVRDEDQJSA-N 1 0 377.488 3.691 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cc(F)cc(F)c2)c(OC)c1 ZINC000444695730 867077730 /nfs/dbraw/zinc/07/77/30/867077730.db2.gz TWAQSNFEVMPMKJ-IBGZPJMESA-N 1 0 377.431 3.574 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)cnc1Cl ZINC000793254694 882048665 /nfs/dbraw/zinc/04/86/65/882048665.db2.gz JVGWVIHUTMYQCO-UHFFFAOYSA-N 1 0 382.895 3.688 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000553312681 867149192 /nfs/dbraw/zinc/14/91/92/867149192.db2.gz UKPXGZLCSANAES-NRFANRHFSA-N 1 0 394.906 3.869 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)Cc2ccc(F)c(C)c2)cc1 ZINC000444743490 867165569 /nfs/dbraw/zinc/16/55/69/867165569.db2.gz IUWXWHZEXYJYRH-UHFFFAOYSA-N 1 0 383.467 3.912 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000620740018 867233720 /nfs/dbraw/zinc/23/37/20/867233720.db2.gz UJLYTUJDYFHHFS-HXUWFJFHSA-N 1 0 394.515 3.902 20 30 GHEDRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479284100 867480987 /nfs/dbraw/zinc/48/09/87/867480987.db2.gz MLWBKAKONQZCMQ-KRWDZBQOSA-N 1 0 397.906 3.782 20 30 GHEDRO C=C(C)CNC(=S)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000041746227 867481249 /nfs/dbraw/zinc/48/12/49/867481249.db2.gz JHCOUAJKJCJVOQ-UHFFFAOYSA-N 1 0 394.588 3.549 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000440622442 867540503 /nfs/dbraw/zinc/54/05/03/867540503.db2.gz HVIKDJUCNHQAMV-IFMALSPDSA-N 1 0 375.476 3.625 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000457124292 867727903 /nfs/dbraw/zinc/72/79/03/867727903.db2.gz PKTLWLRFSLQTJG-NRFANRHFSA-N 1 0 377.488 3.692 20 30 GHEDRO C#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000183765316 867783018 /nfs/dbraw/zinc/78/30/18/867783018.db2.gz NEUONVCABROVCB-FCHUYYIVSA-N 1 0 375.472 3.776 20 30 GHEDRO C=C[C@H](CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccccc1 ZINC000155195276 867798341 /nfs/dbraw/zinc/79/83/41/867798341.db2.gz YSFHAHZQTJEHAS-LJQANCHMSA-N 1 0 391.515 3.682 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(OCC#N)c2)[C@@H]1c1cccs1 ZINC000743101746 867844712 /nfs/dbraw/zinc/84/47/12/867844712.db2.gz ADDWGRIGFCRCIH-DNVCBOLYSA-N 1 0 384.505 3.855 20 30 GHEDRO N#CCOc1ccc(CC(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000114990191 882126341 /nfs/dbraw/zinc/12/63/41/882126341.db2.gz SHNHJRPUXNSPAA-OAQYLSRUSA-N 1 0 378.472 3.587 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000743203219 867924364 /nfs/dbraw/zinc/92/43/64/867924364.db2.gz ZKIUJDAWGWCWIQ-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000743193935 867938626 /nfs/dbraw/zinc/93/86/26/867938626.db2.gz HBHHIXWLRQTVOE-FQEVSTJZSA-N 1 0 381.451 3.796 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000743198998 867948517 /nfs/dbraw/zinc/94/85/17/867948517.db2.gz PPXZYHQKTZEFJS-IBGZPJMESA-N 1 0 381.451 3.576 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000743200423 867951219 /nfs/dbraw/zinc/95/12/19/867951219.db2.gz CTFYQXPWBDDOGV-UHFFFAOYSA-N 1 0 387.499 3.958 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000743200326 867951297 /nfs/dbraw/zinc/95/12/97/867951297.db2.gz ABOSVNPWYNIANM-QGZVFWFLSA-N 1 0 387.480 3.858 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000743201944 867952584 /nfs/dbraw/zinc/95/25/84/867952584.db2.gz SFVFYOOVWKKRLP-UHFFFAOYSA-N 1 0 381.451 3.755 20 30 GHEDRO C=CCCCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000479536514 867964795 /nfs/dbraw/zinc/96/47/95/867964795.db2.gz MDQAOGKQVKHMNS-UHFFFAOYSA-N 1 0 377.532 3.981 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H]([NH3+])[C@@H]2c2ccccc2OC)cc1OC ZINC000457360658 868174567 /nfs/dbraw/zinc/17/45/67/868174567.db2.gz IOPWPRWWVRQYPL-AVRDEDQJSA-N 1 0 396.487 3.573 20 30 GHEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000156364422 868339529 /nfs/dbraw/zinc/33/95/29/868339529.db2.gz SYKWQCODGYHSJG-SCTDSRPQSA-N 1 0 396.453 3.510 20 30 GHEDRO C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C(C)(C)C[NH+](C)C ZINC000479759336 868482739 /nfs/dbraw/zinc/48/27/39/868482739.db2.gz XWZCYNUISLAVDE-KRWDZBQOSA-N 1 0 379.504 3.843 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669810396 868643301 /nfs/dbraw/zinc/64/33/01/868643301.db2.gz ADGBADCYDLPNMV-HOTGVXAUSA-N 1 0 389.931 3.788 20 30 GHEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669815287 868812490 /nfs/dbraw/zinc/81/24/90/868812490.db2.gz HVRGBXQLSHHTGQ-OAHLLOKOSA-N 1 0 391.972 3.940 20 30 GHEDRO CCC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)cc1 ZINC000190604114 882232029 /nfs/dbraw/zinc/23/20/29/882232029.db2.gz KTYRZJKFSUILOU-VXKWHMMOSA-N 1 0 377.488 3.799 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[NH+](C)C ZINC000609079673 868923700 /nfs/dbraw/zinc/92/37/00/868923700.db2.gz GTTMCKVBHSCIOC-CQSZACIVSA-N 1 0 386.883 3.862 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[NH+](CC3CCCCC3)CC2)nc1C1CC1 ZINC000064128628 868965435 /nfs/dbraw/zinc/96/54/35/868965435.db2.gz QGOAMJAHVRYAID-UHFFFAOYSA-N 1 0 375.586 3.633 20 30 GHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCc2ccncc2)CC1 ZINC000462345320 869264321 /nfs/dbraw/zinc/26/43/21/869264321.db2.gz GWYOOHKBKQRREN-HXUWFJFHSA-N 1 0 399.336 3.659 20 30 GHEDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2=O)ccc1Br ZINC000462353796 869282471 /nfs/dbraw/zinc/28/24/71/869282471.db2.gz BCXZMDLWPHBIRO-GOSISDBHSA-N 1 0 384.277 3.524 20 30 GHEDRO CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000170818390 882300206 /nfs/dbraw/zinc/30/02/06/882300206.db2.gz GANSBKWQJBTMPJ-HSZRJFAPSA-N 1 0 390.531 3.797 20 30 GHEDRO CC(C)c1ccc(CC2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)cc1 ZINC000462454390 869470371 /nfs/dbraw/zinc/47/03/71/869470371.db2.gz BCROTMGTVDJOPV-UHFFFAOYSA-N 1 0 380.536 3.720 20 30 GHEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccccc1 ZINC000550834718 882310301 /nfs/dbraw/zinc/31/03/01/882310301.db2.gz CTJZLYULPFZBLA-RTWAWAEBSA-N 1 0 383.517 3.736 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1C ZINC000524880861 869726247 /nfs/dbraw/zinc/72/62/47/869726247.db2.gz LJXIFGJDUPRBJG-LPHOPBHVSA-N 1 0 378.476 3.690 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000745890841 869868278 /nfs/dbraw/zinc/86/82/78/869868278.db2.gz COCLLUWGFSUFLF-LAUBAEHRSA-N 1 0 394.494 3.892 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)CN2CCN(c3ccccc3)CC2)cc1OC ZINC000462724517 869949708 /nfs/dbraw/zinc/94/97/08/869949708.db2.gz IGPVOQRTLXRGNZ-HXUWFJFHSA-N 1 0 395.547 3.560 20 30 GHEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508862096 870003967 /nfs/dbraw/zinc/00/39/67/870003967.db2.gz CSLDYJVYYZLVHB-UHFFFAOYSA-N 1 0 387.531 3.740 20 30 GHEDRO N#Cc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC000462839541 870169308 /nfs/dbraw/zinc/16/93/08/870169308.db2.gz JNGDNWNLBKKMGT-IBGZPJMESA-N 1 0 387.443 3.513 20 30 GHEDRO CC(C)[N@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000525270037 870277492 /nfs/dbraw/zinc/27/74/92/870277492.db2.gz SWNUESMPUWKOOV-INIZCTEOSA-N 1 0 385.458 3.794 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540043886 870289958 /nfs/dbraw/zinc/28/99/58/870289958.db2.gz KDHMLZOMPBDXJK-FVRICEFQSA-N 1 0 382.552 3.655 20 30 GHEDRO C=CCOc1c(Br)cc(CNCC[N@@H+]2CC[C@@H](C)C2)cc1OCC ZINC000525288117 870292556 /nfs/dbraw/zinc/29/25/56/870292556.db2.gz FZYGTLONHPGXMA-OAHLLOKOSA-N 1 0 397.357 3.844 20 30 GHEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000446777668 870386442 /nfs/dbraw/zinc/38/64/42/870386442.db2.gz POLAEIMIPQGNOH-UHFFFAOYSA-N 1 0 383.517 3.546 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-n4ccnc4)c(F)c3)CC2)cc1 ZINC000550839756 882412836 /nfs/dbraw/zinc/41/28/36/882412836.db2.gz FDWWVRPNQIBCGG-UHFFFAOYSA-N 1 0 375.451 3.642 20 30 GHEDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)[C@H]2C1 ZINC000538799946 870634797 /nfs/dbraw/zinc/63/47/97/870634797.db2.gz GTXVLUZSIPHQBO-YFNKSVMNSA-N 1 0 392.499 3.906 20 30 GHEDRO Cc1nc2ccccc2n1CCCCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000463069722 870827428 /nfs/dbraw/zinc/82/74/28/870827428.db2.gz ATCUKKNEIQCRLQ-UHFFFAOYSA-N 1 0 388.519 3.604 20 30 GHEDRO C[C@H]1C[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168825121 870877975 /nfs/dbraw/zinc/87/79/75/870877975.db2.gz RLDCAUMZGPTTHW-ICSRJNTNSA-N 1 0 398.551 3.532 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000181428005 871002910 /nfs/dbraw/zinc/00/29/10/871002910.db2.gz ZGTVVVXSOVKSOI-SJLPKXTDSA-N 1 0 386.536 3.815 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H](CC)Cc1ccc3c(c1)OCO3)C2 ZINC001170438970 882468336 /nfs/dbraw/zinc/46/83/36/882468336.db2.gz WVMPTAZEHIGJMY-CVDCTZTESA-N 1 0 384.520 3.770 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nccn3Cc3ccccc3)CC2)cc1 ZINC000181460635 871038421 /nfs/dbraw/zinc/03/84/21/871038421.db2.gz ZNKNWCLPFUBKSV-UHFFFAOYSA-N 1 0 399.542 3.600 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccccc2SCC#N)CC1 ZINC000766541634 871038837 /nfs/dbraw/zinc/03/88/37/871038837.db2.gz MZNNHJDJWYOEAY-UHFFFAOYSA-N 1 0 389.565 3.513 20 30 GHEDRO N#Cc1c(F)c(F)c(-n2c3cc(Cl)ccc3nc2CCC[NH3+])c(F)c1F ZINC001169000456 871086794 /nfs/dbraw/zinc/08/67/94/871086794.db2.gz YVSWZBSTVMOMEA-UHFFFAOYSA-N 1 0 382.748 3.998 20 30 GHEDRO O=C1c2ccccc2C(=O)C(Nc2ccc(COC3CC[NH2+]CC3)cc2)=C1Cl ZINC001169048339 871130835 /nfs/dbraw/zinc/13/08/35/871130835.db2.gz WDFKDRLPVWYYDN-UHFFFAOYSA-N 1 0 396.874 3.897 20 30 GHEDRO CN(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000181538280 871156967 /nfs/dbraw/zinc/15/69/67/871156967.db2.gz GXBRENBFFSILML-HSZRJFAPSA-N 1 0 380.511 3.554 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000540407058 871196531 /nfs/dbraw/zinc/19/65/31/871196531.db2.gz GYRGPVJQSMERRS-NRFANRHFSA-N 1 0 386.492 3.992 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C(C)C)[C@@H]2CCOC2)c1C#N ZINC000463234176 871220568 /nfs/dbraw/zinc/22/05/68/871220568.db2.gz IGNBIIMHGYSQBD-LJQANCHMSA-N 1 0 398.482 3.543 20 30 GHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)c2)cc1 ZINC000463301943 871372348 /nfs/dbraw/zinc/37/23/48/871372348.db2.gz QEDLWCMUAPCQPE-SJLPKXTDSA-N 1 0 399.516 3.668 20 30 GHEDRO Cc1ccc(F)cc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001194042326 871459663 /nfs/dbraw/zinc/45/96/63/871459663.db2.gz SCNQBWXAFUZJTE-UHFFFAOYSA-N 1 0 381.451 3.878 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000181753866 871461355 /nfs/dbraw/zinc/46/13/55/871461355.db2.gz RKOBICCVHIVKIB-RUZDIDTESA-N 1 0 388.559 3.777 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000462021101 871473722 /nfs/dbraw/zinc/47/37/22/871473722.db2.gz TUJBLXVHJXAOHG-SFHVURJKSA-N 1 0 379.504 3.699 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1nc2ccccc2n1C ZINC000539200886 871489261 /nfs/dbraw/zinc/48/92/61/871489261.db2.gz FIJLNDAEYSZTGM-DOTOQJQBSA-N 1 0 377.467 3.904 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000739857232 871591762 /nfs/dbraw/zinc/59/17/62/871591762.db2.gz KSQPEQGDCGOEGR-GHTZIAJQSA-N 1 0 392.551 3.669 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1C(C)(C)C ZINC000462145434 871677206 /nfs/dbraw/zinc/67/72/06/871677206.db2.gz GPLOBJIJYJBXNH-UHFFFAOYSA-N 1 0 399.560 3.608 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000525893823 871677193 /nfs/dbraw/zinc/67/71/93/871677193.db2.gz CTHSEDNOOCWRJE-INIZCTEOSA-N 1 0 381.451 3.618 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000618582796 871731845 /nfs/dbraw/zinc/73/18/45/871731845.db2.gz STKJCSJCMYCQDM-UHFFFAOYSA-N 1 0 378.520 3.778 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC000618584519 871732479 /nfs/dbraw/zinc/73/24/79/871732479.db2.gz QFUMHHQYWCSCKB-UHFFFAOYSA-N 1 0 378.520 3.778 20 30 GHEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc2ccccc2nc1NC(=O)CC#N ZINC001169684135 871751302 /nfs/dbraw/zinc/75/13/02/871751302.db2.gz GERWZOXLIOPHGM-MRXNPFEDSA-N 1 0 386.459 3.722 20 30 GHEDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000447539828 871805753 /nfs/dbraw/zinc/80/57/53/871805753.db2.gz HSUKADUKRQPLFK-GOSISDBHSA-N 1 0 386.293 3.791 20 30 GHEDRO Cn1cc(C[NH2+]CC2CCN(c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000525997538 871840004 /nfs/dbraw/zinc/84/00/04/871840004.db2.gz PIFZTKCJTGQYLL-UHFFFAOYSA-N 1 0 385.515 3.965 20 30 GHEDRO C[C@H](CCc1cccc(F)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000463490808 871878576 /nfs/dbraw/zinc/87/85/76/871878576.db2.gz MWDHJUKXJSYODD-GOSISDBHSA-N 1 0 381.495 3.856 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000460270465 871913846 /nfs/dbraw/zinc/91/38/46/871913846.db2.gz VEHQOVNFNGDKNN-KKXNLOMOSA-N 1 0 386.540 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001194723739 871919738 /nfs/dbraw/zinc/91/97/38/871919738.db2.gz MDTZNEUROMOJMV-PWRODBHTSA-N 1 0 399.535 3.703 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)CC1 ZINC000618783494 871982317 /nfs/dbraw/zinc/98/23/17/871982317.db2.gz GHHFPBNLELSWKY-QHCPKHFHSA-N 1 0 388.515 3.506 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000618803775 872010992 /nfs/dbraw/zinc/01/09/92/872010992.db2.gz IRYUWWYGKDNQBG-AUUYWEPGSA-N 1 0 379.460 3.570 20 30 GHEDRO CCCCCCCCCCOC(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001194928629 872036125 /nfs/dbraw/zinc/03/61/25/872036125.db2.gz ZKHLAOSSMIYUMF-UHFFFAOYSA-N 1 0 395.588 3.925 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000775625712 872059114 /nfs/dbraw/zinc/05/91/14/872059114.db2.gz GKUFFZQKILWIAE-MSOLQXFVSA-N 1 0 390.524 3.968 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000463579649 872065598 /nfs/dbraw/zinc/06/55/98/872065598.db2.gz YOKLOMPCYKWPOJ-HKUYNNGSSA-N 1 0 380.488 3.653 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@H]1CCCO1 ZINC000182254675 872090001 /nfs/dbraw/zinc/09/00/01/872090001.db2.gz RIDYJJLJDLKXLY-LEWJYISDSA-N 1 0 394.519 3.511 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000552271189 872331351 /nfs/dbraw/zinc/33/13/51/872331351.db2.gz WSFOSRUHDHJTRU-PWRODBHTSA-N 1 0 383.536 3.612 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2cnn(CC)c2)cc1 ZINC000101900530 872354411 /nfs/dbraw/zinc/35/44/11/872354411.db2.gz RTKZMUMKTGUWFY-UHFFFAOYSA-O 1 0 379.509 3.804 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2cccc(F)c2)N2CCOCC2)c(O)c1 ZINC000921138687 882624688 /nfs/dbraw/zinc/62/46/88/882624688.db2.gz YRAIINXIDOHTJV-TYGBLEFESA-N 1 0 399.510 3.870 20 30 GHEDRO CCOc1ccc(OCC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022850308 872640896 /nfs/dbraw/zinc/64/08/96/872640896.db2.gz AUVLIDXWNQDCLW-UHFFFAOYSA-N 1 0 379.504 3.544 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619476509 872673053 /nfs/dbraw/zinc/67/30/53/872673053.db2.gz CRJDHXWYRQSXEW-GOSISDBHSA-N 1 0 397.544 3.606 20 30 GHEDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000619567074 872745818 /nfs/dbraw/zinc/74/58/18/872745818.db2.gz MSDZEOTYVVHXAB-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000619739358 872941274 /nfs/dbraw/zinc/94/12/74/872941274.db2.gz NJMXRZRKIMZFSN-MBSDFSHPSA-N 1 0 385.552 3.783 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000794425889 872955879 /nfs/dbraw/zinc/95/58/79/872955879.db2.gz ADFYWYBRYMYYBX-SFHVURJKSA-N 1 0 383.319 3.532 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000619754728 872963753 /nfs/dbraw/zinc/96/37/53/872963753.db2.gz IZQMPIPPOGLSBT-ZDUSSCGKSA-N 1 0 387.867 3.736 20 30 GHEDRO COc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755835 872967741 /nfs/dbraw/zinc/96/77/41/872967741.db2.gz VMLDLZNCQUNGQR-FQEVSTJZSA-N 1 0 381.867 3.733 20 30 GHEDRO OC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000527299179 872976218 /nfs/dbraw/zinc/97/62/18/872976218.db2.gz JOIDWIRZYABGIK-NSHDSACASA-N 1 0 381.263 3.543 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=S)Nc3ccccc3C#N)cc2F)CC1 ZINC001196320597 873030896 /nfs/dbraw/zinc/03/08/96/873030896.db2.gz UGGKDBNAINURIZ-UHFFFAOYSA-N 1 0 383.496 3.648 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001196329823 873036397 /nfs/dbraw/zinc/03/63/97/873036397.db2.gz RTACFOSDDODRLU-ZRZAMGCNSA-N 1 0 381.564 3.637 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000619811188 873038586 /nfs/dbraw/zinc/03/85/86/873038586.db2.gz ABOZZZQEPVLCHL-HXUWFJFHSA-N 1 0 392.551 3.785 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1Cc2ccc(O)cc2C2(CC2)C1)C(C)C ZINC000464016313 873043556 /nfs/dbraw/zinc/04/35/56/873043556.db2.gz OWIQSWBAOXIHII-OAQYLSRUSA-N 1 0 383.536 3.648 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619827436 873058423 /nfs/dbraw/zinc/05/84/23/873058423.db2.gz LFDSXFIOIFKESW-UHFFFAOYSA-N 1 0 398.938 3.918 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443493508 873132234 /nfs/dbraw/zinc/13/22/34/873132234.db2.gz SXJYPKGNHATGAY-UHFFFAOYSA-N 1 0 375.432 3.583 20 30 GHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000494652547 882707072 /nfs/dbraw/zinc/70/70/72/882707072.db2.gz CSLIIJPZDBCSPU-GOEBONIOSA-N 1 0 389.546 3.713 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000464167737 873330583 /nfs/dbraw/zinc/33/05/83/873330583.db2.gz LOZVSCLMZLJVRC-DYESRHJHSA-N 1 0 380.488 3.510 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3CCC4(CCC[N@@H+]4CC4CC4)CC3)no2)c1 ZINC001196761796 873333346 /nfs/dbraw/zinc/33/33/46/873333346.db2.gz PEXQXMSGPRTPAU-UHFFFAOYSA-N 1 0 390.487 3.694 20 30 GHEDRO C[C@@H](C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000464186686 873373118 /nfs/dbraw/zinc/37/31/18/873373118.db2.gz PTXSYAASRITAQC-XMSQKQJNSA-N 1 0 399.498 3.944 20 30 GHEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000743485658 873375107 /nfs/dbraw/zinc/37/51/07/873375107.db2.gz NYRCUIQTFSCILN-NRFANRHFSA-N 1 0 397.544 3.696 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)no2)c1 ZINC001196771308 873379021 /nfs/dbraw/zinc/37/90/21/873379021.db2.gz LRFCZFLHDKGVQH-NRFANRHFSA-N 1 0 386.455 3.780 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013010 882719537 /nfs/dbraw/zinc/71/95/37/882719537.db2.gz FWWMMGVYCRPTMP-GOSISDBHSA-N 1 0 396.516 3.764 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000023081590 873484101 /nfs/dbraw/zinc/48/41/01/873484101.db2.gz ASGITDRUJHJPOW-OAQYLSRUSA-N 1 0 380.488 3.827 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858021005 882737979 /nfs/dbraw/zinc/73/79/79/882737979.db2.gz RWBOOTHLGKNZLK-OAQYLSRUSA-N 1 0 390.487 3.703 20 30 GHEDRO N#Cc1ccc(C2(NCc3cccc(O)c3Br)CCOCC2)cc1 ZINC000527809620 873594601 /nfs/dbraw/zinc/59/46/01/873594601.db2.gz LDPAKLHEAPFKTB-UHFFFAOYSA-N 1 0 387.277 3.822 20 30 GHEDRO CCc1cc(C(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1C#N ZINC001197281507 873709681 /nfs/dbraw/zinc/70/96/81/873709681.db2.gz HBSMGESTHHJKKI-UHFFFAOYSA-N 1 0 388.515 3.644 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001197486908 873833022 /nfs/dbraw/zinc/83/30/22/873833022.db2.gz JILGZELUZXQNQZ-APWZRJJASA-N 1 0 387.524 3.653 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448711811 873836495 /nfs/dbraw/zinc/83/64/95/873836495.db2.gz ZEPKSXZRQWXESV-AWEZNQCLSA-N 1 0 378.314 3.563 20 30 GHEDRO C=CCc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000769335216 873977108 /nfs/dbraw/zinc/97/71/08/873977108.db2.gz USGQWNQRLRUWQD-QGZVFWFLSA-N 1 0 376.497 3.571 20 30 GHEDRO Cc1ccc(F)c(C[NH+]2CCC(NC(=S)Nc3cccc(C#N)c3)CC2)c1 ZINC001197736245 874016812 /nfs/dbraw/zinc/01/68/12/874016812.db2.gz OOXNDRYESFYRIP-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448825374 874025376 /nfs/dbraw/zinc/02/53/76/874025376.db2.gz QTQUQAOWOXVXSN-UHFFFAOYSA-N 1 0 378.314 3.515 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1OC ZINC000769422300 874040281 /nfs/dbraw/zinc/04/02/81/874040281.db2.gz AHOGPKWICIETQP-AEFFLSMTSA-N 1 0 390.524 3.995 20 30 GHEDRO C=CCOc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000448833924 874040258 /nfs/dbraw/zinc/04/02/58/874040258.db2.gz ZFVCWDTXYXNWLI-LJQANCHMSA-N 1 0 384.545 3.884 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CCCCC1 ZINC000448856665 874054645 /nfs/dbraw/zinc/05/46/45/874054645.db2.gz BUOMIBGGXGJWIC-IBGZPJMESA-N 1 0 383.536 3.849 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464767183 874457421 /nfs/dbraw/zinc/45/74/21/874457421.db2.gz CMBBUDOSTGGLGM-HOTGVXAUSA-N 1 0 388.581 3.632 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCS1 ZINC000464774273 874466689 /nfs/dbraw/zinc/46/66/89/874466689.db2.gz MCPJGGQXSCUERZ-KRWDZBQOSA-N 1 0 377.579 3.901 20 30 GHEDRO Cc1ccc(CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]2CCCO2)cc1 ZINC000464780468 874479491 /nfs/dbraw/zinc/47/94/91/874479491.db2.gz SWYGACPPHTXIOZ-JOCHJYFZSA-N 1 0 397.563 3.703 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000528402338 874519689 /nfs/dbraw/zinc/51/96/89/874519689.db2.gz DSFRVSFXMVDRIB-QZTJIDSGSA-N 1 0 393.512 3.787 20 30 GHEDRO CO[C@]1(C)C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000464826768 874588293 /nfs/dbraw/zinc/58/82/93/874588293.db2.gz HJXAGTYWWHISMT-OXJNMPFZSA-N 1 0 375.538 3.572 20 30 GHEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000449217284 874606578 /nfs/dbraw/zinc/60/65/78/874606578.db2.gz YBBKSKVHVPLFFI-VNCLNFNDSA-N 1 0 380.448 3.772 20 30 GHEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001199245704 874871175 /nfs/dbraw/zinc/87/11/75/874871175.db2.gz XJCVKHYNJQKKHH-DFNIBXOVSA-N 1 0 391.475 3.834 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000528680138 874878970 /nfs/dbraw/zinc/87/89/70/874878970.db2.gz AFTAMUVKCGDTFD-LJQANCHMSA-N 1 0 380.423 3.896 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001199260925 874879986 /nfs/dbraw/zinc/87/99/86/874879986.db2.gz SLODIXZHGJSGRH-FQEVSTJZSA-N 1 0 380.492 3.845 20 30 GHEDRO C=CC(C)(C)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000449485965 874940116 /nfs/dbraw/zinc/94/01/16/874940116.db2.gz PMSMZIXJHJJIIC-UHFFFAOYSA-N 1 0 375.250 3.610 20 30 GHEDRO C=CCc1cc(CNc2ccc(CN3CC[NH+](CC)CC3)cc2)cc(OC)c1O ZINC001199457543 874982454 /nfs/dbraw/zinc/98/24/54/874982454.db2.gz GQMAXHFWRKOCHK-UHFFFAOYSA-N 1 0 395.547 3.879 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000449519113 874991250 /nfs/dbraw/zinc/99/12/50/874991250.db2.gz LJJXMFSGDYBMBU-OLZOCXBDSA-N 1 0 392.240 3.882 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c(-c2ccccc2)n1 ZINC000449531951 875013243 /nfs/dbraw/zinc/01/32/43/875013243.db2.gz CMPZLJSVWMZFES-VXKWHMMOSA-N 1 0 387.487 3.869 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)C1 ZINC000122502777 875209828 /nfs/dbraw/zinc/20/98/28/875209828.db2.gz MLBMDPPJRUGGAV-XMSQKQJNSA-N 1 0 391.515 3.940 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1)CC1CC1 ZINC000771424785 875259627 /nfs/dbraw/zinc/25/96/27/875259627.db2.gz ACTUGPWEPCQKOD-UHFFFAOYSA-N 1 0 398.551 3.610 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3cc(Br)cc(Cl)c32)CC1 ZINC000105379622 875279448 /nfs/dbraw/zinc/27/94/48/875279448.db2.gz KWQPGNJGDWMSKQ-UHFFFAOYSA-N 1 0 395.728 3.727 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776093738 875330675 /nfs/dbraw/zinc/33/06/75/875330675.db2.gz XSYUFSBRBUKJCK-AZUAARDMSA-N 1 0 377.488 3.731 20 30 GHEDRO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449889396 875581626 /nfs/dbraw/zinc/58/16/26/875581626.db2.gz SKAKDFDAYNMHMD-ZSFPCNDZSA-N 1 0 379.426 3.754 20 30 GHEDRO CCCCCCCCCCC[N@@H+]1CCC[C@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001201630903 875774400 /nfs/dbraw/zinc/77/44/00/875774400.db2.gz HBYUBHVNOKDKTE-UNMCSNQZSA-N 1 0 382.589 3.903 20 30 GHEDRO CCCCCCC[N@@H+]1CCCO[C@@]2(COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001201762579 875847105 /nfs/dbraw/zinc/84/71/05/875847105.db2.gz QBTZSAVRSNQKAT-NRFANRHFSA-N 1 0 384.561 3.685 20 30 GHEDRO CCCCCCCCCC[N@H+]1Cc2ccnn2C[C@@H](COCC(=O)N(C)C)C1 ZINC001201852696 875888181 /nfs/dbraw/zinc/88/81/81/875888181.db2.gz HKPPAQILJYAOJD-FQEVSTJZSA-N 1 0 392.588 3.560 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000492047137 876118451 /nfs/dbraw/zinc/11/84/51/876118451.db2.gz OHXKPVRUXDJBQY-FQEVSTJZSA-N 1 0 389.478 3.971 20 30 GHEDRO N#Cc1cc(Br)cnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000450236047 876134587 /nfs/dbraw/zinc/13/45/87/876134587.db2.gz ZVGGGWQWBAFEIY-UHFFFAOYSA-N 1 0 389.272 3.567 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2ncc(Br)cc2C#N)[C@@H]1c1cccs1 ZINC000450347455 876300419 /nfs/dbraw/zinc/30/04/19/876300419.db2.gz IAFKGQZPZLZDAG-BLLLJJGKSA-N 1 0 391.338 3.694 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000107713928 876388495 /nfs/dbraw/zinc/38/84/95/876388495.db2.gz ZDJGPORQJOLHLK-IBGZPJMESA-N 1 0 377.410 3.878 20 30 GHEDRO N#CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000609334938 883030604 /nfs/dbraw/zinc/03/06/04/883030604.db2.gz LTFUQSSTXLUCNS-UHFFFAOYSA-N 1 0 377.517 3.678 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000776430858 876473480 /nfs/dbraw/zinc/47/34/80/876473480.db2.gz NKSROTIURAANGA-KAMYIIQDSA-N 1 0 391.515 3.951 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)c2)c1 ZINC000529675173 876506862 /nfs/dbraw/zinc/50/68/62/876506862.db2.gz KYMRTXUDOZQHNP-VHSZZVNMSA-N 1 0 380.513 3.623 20 30 GHEDRO N#Cc1cc2c(n(Cc3ccc(CF)cc3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000850002857 876589639 /nfs/dbraw/zinc/58/96/39/876589639.db2.gz HTKYALSKWQVUAQ-UHFFFAOYSA-N 1 0 387.458 3.796 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000173790641 876640798 /nfs/dbraw/zinc/64/07/98/876640798.db2.gz CQYRJMONNPXMQW-ZWKOTPCHSA-N 1 0 388.581 3.541 20 30 GHEDRO C=CCCn1cc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCCCCC2)nn1 ZINC000850117873 876679620 /nfs/dbraw/zinc/67/96/20/876679620.db2.gz ACZFMEGGPWEQJQ-UHFFFAOYSA-N 1 0 377.533 3.562 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)ccc1OC ZINC000850135806 876690395 /nfs/dbraw/zinc/69/03/95/876690395.db2.gz QSSZWYWZYWYBNJ-PZJWPPBQSA-N 1 0 396.487 3.834 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]Cc3ccc(C#N)cn3)cccc2C1 ZINC000850265923 876763040 /nfs/dbraw/zinc/76/30/40/876763040.db2.gz NKJODNBMICPEOU-UHFFFAOYSA-N 1 0 378.476 3.536 20 30 GHEDRO CC[C@H](C(=O)OC[C@H](C#N)Cc1ccccc1Br)[NH+](CC)CC ZINC000786639522 876861131 /nfs/dbraw/zinc/86/11/31/876861131.db2.gz MQCNSTSCJBLCDH-WMLDXEAASA-N 1 0 381.314 3.795 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)cc1 ZINC000850416348 876897469 /nfs/dbraw/zinc/89/74/69/876897469.db2.gz ICVMAKXQNZPCPC-WZONZLPQSA-N 1 0 380.488 3.963 20 30 GHEDRO CC[NH+](CC)CCOC1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000492488782 876958217 /nfs/dbraw/zinc/95/82/17/876958217.db2.gz VJBCSXNKXWBMPD-UHFFFAOYSA-N 1 0 394.357 3.644 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)c(F)c1 ZINC000850541959 877010023 /nfs/dbraw/zinc/01/00/23/877010023.db2.gz FNKOBNQAWYAPHF-WMLDXEAASA-N 1 0 389.471 3.516 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+][C@H]1CCCc3cc(C#N)ccc31)O2 ZINC000850542625 877012658 /nfs/dbraw/zinc/01/26/58/877012658.db2.gz SFYQLTUNDAHUSU-ICSRJNTNSA-N 1 0 397.519 3.694 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492584451 877128663 /nfs/dbraw/zinc/12/86/63/877128663.db2.gz VIBBXEOAZCPSBM-ZIAGYGMSSA-N 1 0 377.204 3.598 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1OC ZINC000180817859 883101882 /nfs/dbraw/zinc/10/18/82/883101882.db2.gz WRDMLIMBAXHYHI-NRFANRHFSA-N 1 0 394.519 3.525 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000609977896 877239007 /nfs/dbraw/zinc/23/90/07/877239007.db2.gz AVDWZOOXTNSZKS-XQBPLPMBSA-N 1 0 391.515 3.837 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000174793854 877253170 /nfs/dbraw/zinc/25/31/70/877253170.db2.gz VVQOQQQNXYMKGI-HRAATJIYSA-N 1 0 389.565 3.798 20 30 GHEDRO Cc1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)ccc1C#N ZINC000443979375 877290193 /nfs/dbraw/zinc/29/01/93/877290193.db2.gz AXKHEFWQFWKQCB-UHFFFAOYSA-N 1 0 386.293 3.539 20 30 GHEDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000610027588 877318173 /nfs/dbraw/zinc/31/81/73/877318173.db2.gz LLKMOVPMQPAWAN-SFHVURJKSA-N 1 0 394.475 3.501 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000477278580 877335825 /nfs/dbraw/zinc/33/58/25/877335825.db2.gz YPJADWWSZPVVSM-HXUWFJFHSA-N 1 0 386.417 3.838 20 30 GHEDRO COc1cc(C#N)ccc1OCCN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000610133172 877449802 /nfs/dbraw/zinc/44/98/02/877449802.db2.gz WUITUOZEEOLSJX-UHFFFAOYSA-N 1 0 379.504 3.542 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451152503 877463301 /nfs/dbraw/zinc/46/33/01/877463301.db2.gz DWILFPNVCFBVTK-QGZVFWFLSA-N 1 0 376.566 3.668 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](c3ccccc3)c3ccncn3)C2)c(F)c1 ZINC000530321236 877538863 /nfs/dbraw/zinc/53/88/63/877538863.db2.gz VXVGMTXQBVUHPR-CVDCTZTESA-N 1 0 387.462 3.835 20 30 GHEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000451249286 877661492 /nfs/dbraw/zinc/66/14/92/877661492.db2.gz BPNSPLQAXLFUDY-YLJYHZDGSA-N 1 0 386.540 3.513 20 30 GHEDRO c1ccc(-c2nnc(N=NCc3ccc(OCC[NH+]4CCCC4)cc3)s2)nc1 ZINC000788027497 877788708 /nfs/dbraw/zinc/78/87/08/877788708.db2.gz QRLOGVDWLDRQKZ-UHFFFAOYSA-N 1 0 394.504 3.521 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000788076313 877824069 /nfs/dbraw/zinc/82/40/69/877824069.db2.gz MKUPAIDLZPKLED-KRWDZBQOSA-N 1 0 390.325 3.724 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000530449552 877837419 /nfs/dbraw/zinc/83/74/19/877837419.db2.gz MMEUXNNCMJEMBD-UHFFFAOYSA-N 1 0 392.503 3.867 20 30 GHEDRO C#CCC1(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CCCCC1 ZINC000788159175 877887380 /nfs/dbraw/zinc/88/73/80/877887380.db2.gz RATACMKWMMUBHP-WOJBJXKFSA-N 1 0 382.548 3.886 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615615750 877923151 /nfs/dbraw/zinc/92/31/51/877923151.db2.gz CQTBKXPNNKNWJV-IBGZPJMESA-N 1 0 382.426 3.828 20 30 GHEDRO CCN(CC)C(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000285464771 912300683 /nfs/dbraw/zinc/30/06/83/912300683.db2.gz AKCWGKNNMRWKBN-UHFFFAOYSA-N 1 0 390.531 3.799 20 30 GHEDRO C#CCC1(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CCCCC1 ZINC000788442378 878093347 /nfs/dbraw/zinc/09/33/47/878093347.db2.gz HWQVJIIULXEYCP-GOSISDBHSA-N 1 0 385.527 3.729 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852191594 878129209 /nfs/dbraw/zinc/12/92/09/878129209.db2.gz HTKACUFLWVWCTQ-QFBILLFUSA-N 1 0 385.508 3.720 20 30 GHEDRO O=[N+]([O-])c1cc(C=[NH+]OCc2nc(-c3ccccc3)no2)ccc1N1CCCC1 ZINC000852315691 878233114 /nfs/dbraw/zinc/23/31/14/878233114.db2.gz XLELMJNUGZYOSA-UHFFFAOYSA-N 1 0 393.403 3.796 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2ccc(OCC#N)cc2)cc1 ZINC000110630691 878333782 /nfs/dbraw/zinc/33/37/82/878333782.db2.gz DORMOHCHDHWCPX-LJQANCHMSA-N 1 0 391.515 3.822 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852472648 878350530 /nfs/dbraw/zinc/35/05/30/878350530.db2.gz FUIDEDUHZGZNLC-RTBURBONSA-N 1 0 393.453 3.908 20 30 GHEDRO CCOc1ccccc1CN1CCN(C(=O)Nc2cccc(CC#N)c2)[C@@H](C)C1 ZINC000455911276 878365933 /nfs/dbraw/zinc/36/59/33/878365933.db2.gz VSQPVDHSLVNKNZ-SFHVURJKSA-N 1 0 392.503 3.890 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000852488637 878371397 /nfs/dbraw/zinc/37/13/97/878371397.db2.gz OKAMBRNTKUNBRG-DFQSSKMNSA-N 1 0 382.508 3.813 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC(=O)NC2CCCCC2)c1 ZINC000237949836 878391618 /nfs/dbraw/zinc/39/16/18/878391618.db2.gz TZVGMVHBPYEMNM-UHFFFAOYSA-N 1 0 377.488 3.676 20 30 GHEDRO N#CCOc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000110672595 878399172 /nfs/dbraw/zinc/39/91/72/878399172.db2.gz DPFSPPBRQGPXGM-UHFFFAOYSA-N 1 0 391.515 3.824 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1C ZINC000852595081 878449484 /nfs/dbraw/zinc/44/94/84/878449484.db2.gz PIHKVXJTPMUBCH-JOCHJYFZSA-N 1 0 383.536 3.831 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000852686432 878523676 /nfs/dbraw/zinc/52/36/76/878523676.db2.gz VHFIABBICXITKN-KURKYZTESA-N 1 0 393.487 3.720 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460773582 878539598 /nfs/dbraw/zinc/53/95/98/878539598.db2.gz VFWHWMVFOORLHJ-PZJWPPBQSA-N 1 0 397.567 3.908 20 30 GHEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000616092043 878552283 /nfs/dbraw/zinc/55/22/83/878552283.db2.gz DVTWKROAEFFRGV-NRFANRHFSA-N 1 0 376.504 3.943 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460783002 878554730 /nfs/dbraw/zinc/55/47/30/878554730.db2.gz CPPUWTAFCXEPOA-IEBWSBKVSA-N 1 0 383.540 3.696 20 30 GHEDRO CCOC1CC2(C1)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2 ZINC000285606992 912359159 /nfs/dbraw/zinc/35/91/59/912359159.db2.gz XCSXDJAMYGCQIN-UHFFFAOYSA-N 1 0 387.549 3.718 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000451849160 878557472 /nfs/dbraw/zinc/55/74/72/878557472.db2.gz VUYJBRFXRAVIRO-QGZVFWFLSA-N 1 0 399.583 3.836 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852732272 878562745 /nfs/dbraw/zinc/56/27/45/878562745.db2.gz SWNJZSPODZQREO-IAGOWNOFSA-N 1 0 377.897 3.559 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732399 878562977 /nfs/dbraw/zinc/56/29/77/878562977.db2.gz TXGRFXYIDDRWMQ-ROUUACIJSA-N 1 0 391.924 3.950 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@H](O)c1ccc(Cl)cc1 ZINC000852733451 878564559 /nfs/dbraw/zinc/56/45/59/878564559.db2.gz ZJRDKRXXDIDPBF-VQTJNVASSA-N 1 0 391.943 3.672 20 30 GHEDRO COc1ccc(C(C)=NNc2ccc3c(cc[nH]c3=O)c2)cc1C[NH+]1CCCC1 ZINC000789070781 878581557 /nfs/dbraw/zinc/58/15/57/878581557.db2.gz MQZUMCRLXQKXFF-UHFFFAOYSA-N 1 0 390.487 3.969 20 30 GHEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000177207793 878600547 /nfs/dbraw/zinc/60/05/47/878600547.db2.gz ONNWYSKAQNEIQM-KRWDZBQOSA-N 1 0 384.405 3.979 20 30 GHEDRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852814588 878616795 /nfs/dbraw/zinc/61/67/95/878616795.db2.gz XCPRWFHVSVMCGM-UHFFFAOYSA-N 1 0 376.460 3.581 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852823284 878622441 /nfs/dbraw/zinc/62/24/41/878622441.db2.gz DZENYDOUHFYIPV-UHFFFAOYSA-N 1 0 382.435 3.877 20 30 GHEDRO Cc1ccc([C@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccc(F)cc2Cl)cc1 ZINC000852836225 878628533 /nfs/dbraw/zinc/62/85/33/878628533.db2.gz YXKAHIWIOYSKBB-QFIPXVFZSA-N 1 0 384.882 3.996 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000852840605 878630435 /nfs/dbraw/zinc/63/04/35/878630435.db2.gz WPJCVXNURXFPNG-UHFFFAOYSA-N 1 0 396.335 3.576 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460928282 878833251 /nfs/dbraw/zinc/83/32/51/878833251.db2.gz ALZATHYFOMIRCJ-APWZRJJASA-N 1 0 398.511 3.596 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853211448 878892608 /nfs/dbraw/zinc/89/26/08/878892608.db2.gz VQKMGPXIGVXDGL-KZULUSFZSA-N 1 0 392.377 3.589 20 30 GHEDRO COC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000452075173 878901496 /nfs/dbraw/zinc/90/14/96/878901496.db2.gz ARSNDRHBYBQKKK-LJQANCHMSA-N 1 0 394.519 3.653 20 30 GHEDRO CCC[N@@H+]1CCc2c(N)sc(NC(=O)C3(c4ccccc4C#N)CC3)c2C1 ZINC001183291009 912399679 /nfs/dbraw/zinc/39/96/79/912399679.db2.gz YRHOTDWRIDNXGF-UHFFFAOYSA-N 1 0 380.517 3.640 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)C2(c3ccccc3C#N)CC2)CC1 ZINC001183293146 912400713 /nfs/dbraw/zinc/40/07/13/912400713.db2.gz KGPVWRVYJIMDBJ-UHFFFAOYSA-N 1 0 391.490 3.852 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853491085 879057658 /nfs/dbraw/zinc/05/76/58/879057658.db2.gz LBRWLXKNNODOQV-UHFFFAOYSA-N 1 0 376.420 3.595 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC1 ZINC000531079773 879081250 /nfs/dbraw/zinc/08/12/50/879081250.db2.gz WVDPELDBEQSJAC-UHFFFAOYSA-N 1 0 385.443 3.525 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000538235257 879095310 /nfs/dbraw/zinc/09/53/10/879095310.db2.gz IUPIKWNIUCPKHK-AVRDEDQJSA-N 1 0 377.488 3.691 20 30 GHEDRO N#Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000531102264 879133923 /nfs/dbraw/zinc/13/39/23/879133923.db2.gz BTTSNUGCYDNVJP-DEOSSOPVSA-N 1 0 388.515 3.756 20 30 GHEDRO CC[NH+](CC)CCN(C(=O)c1ccc(C#N)nc1)c1cccc(C(F)(F)F)c1 ZINC000461110306 879149976 /nfs/dbraw/zinc/14/99/76/879149976.db2.gz PGGHCESXAFLKME-UHFFFAOYSA-N 1 0 390.409 3.961 20 30 GHEDRO CC(C)[C@H](C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1)[NH+](C)C ZINC001183362227 912436776 /nfs/dbraw/zinc/43/67/76/912436776.db2.gz HRGRMNZNMMYHLF-DHIUTWEWSA-N 1 0 389.543 3.931 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Cc2ccc(OCC#N)cc2)CCCC1)c1ccccc1 ZINC000111619284 879304352 /nfs/dbraw/zinc/30/43/52/879304352.db2.gz XMWXRYOSEJHFJW-IBGZPJMESA-N 1 0 391.515 3.911 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)ccc1OC ZINC000180817780 879377102 /nfs/dbraw/zinc/37/71/02/879377102.db2.gz WEGJDRUTYBNPJF-MAUKXSAKSA-N 1 0 393.491 3.887 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000152548432 879379565 /nfs/dbraw/zinc/37/95/65/879379565.db2.gz RZQIHWXQIXYIBG-KDOFPFPSSA-N 1 0 390.409 3.718 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000461266216 879481237 /nfs/dbraw/zinc/48/12/37/879481237.db2.gz SADISNBRGILCJK-SFHVURJKSA-N 1 0 381.476 3.677 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000790308720 879609728 /nfs/dbraw/zinc/60/97/28/879609728.db2.gz MHJZKKHNNKRSNN-UHFFFAOYSA-N 1 0 391.834 3.585 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccnn2-c2ccccc2)ccc1OC ZINC000790471617 879743801 /nfs/dbraw/zinc/74/38/01/879743801.db2.gz UGCITPGOILMDKP-HXUWFJFHSA-N 1 0 376.460 3.852 20 30 GHEDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)cn1 ZINC000093870440 912494219 /nfs/dbraw/zinc/49/42/19/912494219.db2.gz RMGBADSAKLSVJG-NRFANRHFSA-N 1 0 386.499 3.935 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461443465 879826418 /nfs/dbraw/zinc/82/64/18/879826418.db2.gz AKMXEUAFZUOVKS-SFTDATJTSA-N 1 0 376.500 3.846 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461446371 879837001 /nfs/dbraw/zinc/83/70/01/879837001.db2.gz CXUSKNWPNGZXJO-LEWJYISDSA-N 1 0 391.540 3.631 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1cccs1 ZINC000465402413 880099784 /nfs/dbraw/zinc/09/97/84/880099784.db2.gz IWHGXSOKXJZABR-CEXWTWQISA-N 1 0 382.533 3.832 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3nc(C)c(C)c(C)c3C#N)nc3ccc(C)cc3n12 ZINC001170152651 880316598 /nfs/dbraw/zinc/31/65/98/880316598.db2.gz VLHMQFXBHJZNIF-UHFFFAOYSA-N 1 0 399.502 3.788 20 30 GHEDRO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000855304870 880422897 /nfs/dbraw/zinc/42/28/97/880422897.db2.gz OTEJACOZMUCZDH-QPPBQGQZSA-N 1 0 388.515 3.520 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)ccc1OC ZINC000113348136 880520584 /nfs/dbraw/zinc/52/05/84/880520584.db2.gz DWAAQWXFJAQFKX-BEFAXECRSA-N 1 0 396.487 3.998 20 30 GHEDRO C[C@H](c1ccncc1)N1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286126953 912579462 /nfs/dbraw/zinc/57/94/62/912579462.db2.gz NVQWPHGLTCHTSN-LJQANCHMSA-N 1 0 389.547 3.737 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000791714840 880642422 /nfs/dbraw/zinc/64/24/22/880642422.db2.gz PHCJSBURMBREBY-FOIQADDNSA-N 1 0 376.460 3.672 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(F)c(F)c1 ZINC000185829704 880704371 /nfs/dbraw/zinc/70/43/71/880704371.db2.gz UCWCDVWLUDXEKM-LJQANCHMSA-N 1 0 377.435 3.948 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)C1=O ZINC001275201883 912604100 /nfs/dbraw/zinc/60/41/00/912604100.db2.gz JJRVKWQMVQDVMM-LJQANCHMSA-N 1 0 381.303 3.911 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000453445780 880910682 /nfs/dbraw/zinc/91/06/82/880910682.db2.gz VBJCIWMBUMPYAN-CTNGQTDRSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000453434490 880939159 /nfs/dbraw/zinc/93/91/59/880939159.db2.gz HEKUGKQFKLECIY-QGZVFWFLSA-N 1 0 383.515 3.505 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453463897 880963396 /nfs/dbraw/zinc/96/33/96/880963396.db2.gz KFPZJHWSZLSSKI-UHFFFAOYSA-N 1 0 385.478 3.660 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000113960725 881015791 /nfs/dbraw/zinc/01/57/91/881015791.db2.gz NMBVMPKEIALMES-IBGZPJMESA-N 1 0 383.467 3.633 20 30 GHEDRO N#C[C@@]1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCc2ccccc2C1 ZINC000186897784 881017826 /nfs/dbraw/zinc/01/78/26/881017826.db2.gz YNNQIBZJZIXASR-XUZZJYLKSA-N 1 0 391.490 3.605 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000113970598 881018090 /nfs/dbraw/zinc/01/80/90/881018090.db2.gz XWGOZUJSXZMKST-NSHGMRRFSA-N 1 0 386.540 3.535 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000114038526 881060119 /nfs/dbraw/zinc/06/01/19/881060119.db2.gz FNAZUMAICXWLCQ-PMACEKPBSA-N 1 0 384.524 3.527 20 30 GHEDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1C ZINC000453635746 881183005 /nfs/dbraw/zinc/18/30/05/881183005.db2.gz SNPQYMRDBQEWJG-QHCPKHFHSA-N 1 0 388.515 3.774 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000919938643 881212193 /nfs/dbraw/zinc/21/21/93/881212193.db2.gz VDDUIXMWQVYWHQ-UHFFFAOYSA-N 1 0 394.515 3.914 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H](C)C1 ZINC000476793302 883134418 /nfs/dbraw/zinc/13/44/18/883134418.db2.gz LOCWBACVZZVRIX-BBRMVZONSA-N 1 0 398.429 3.693 20 30 GHEDRO Cc1cc(Br)ccc1SCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361421 883205240 /nfs/dbraw/zinc/20/52/40/883205240.db2.gz CEGQKJJKXJBVBH-UHFFFAOYSA-N 1 0 398.370 3.544 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195325896 883277062 /nfs/dbraw/zinc/27/70/62/883277062.db2.gz IHRJAUAQXZMZBN-WUZYXKQASA-N 1 0 375.557 3.729 20 30 GHEDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1 ZINC000609508065 883304194 /nfs/dbraw/zinc/30/41/94/883304194.db2.gz UXYVTTASLSYJCI-UHFFFAOYSA-N 1 0 376.460 3.748 20 30 GHEDRO CN(C(=O)C[N@@H+](Cc1ccccc1)CC1CCOCC1)C1(C#N)CCCCC1 ZINC000609540706 883333983 /nfs/dbraw/zinc/33/39/83/883333983.db2.gz NDHVBYYDFNRKMB-UHFFFAOYSA-N 1 0 383.536 3.600 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000609540723 883334149 /nfs/dbraw/zinc/33/41/49/883334149.db2.gz RYNCGRFSWQBLIO-UHFFFAOYSA-N 1 0 390.462 3.674 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000805027096 883540425 /nfs/dbraw/zinc/54/04/25/883540425.db2.gz FJAQHGDMOUKIFO-NRFANRHFSA-N 1 0 395.572 3.894 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000805045630 883556877 /nfs/dbraw/zinc/55/68/77/883556877.db2.gz UYHHPGOBJWSHRC-NHCUHLMSSA-N 1 0 379.504 3.659 20 30 GHEDRO COc1cc(C[N@H+](CCO)CC(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000609738976 883620829 /nfs/dbraw/zinc/62/08/29/883620829.db2.gz FQANUEOGUIGNDD-UHFFFAOYSA-N 1 0 382.504 3.986 20 30 GHEDRO CN(CC(=O)NC1(C#N)CCC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551410843 883824496 /nfs/dbraw/zinc/82/44/96/883824496.db2.gz GJAUUAPULSDALS-UHFFFAOYSA-N 1 0 393.331 3.718 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)c1 ZINC001275235218 912761879 /nfs/dbraw/zinc/76/18/79/912761879.db2.gz ZFKDBWDSDNYCSA-UHFFFAOYSA-N 1 0 381.854 3.681 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCC(C)(C)C#N)CC[C@H]1C(F)(F)F ZINC000859606386 883934941 /nfs/dbraw/zinc/93/49/41/883934941.db2.gz NCXVEZJWYWKXNM-UONOGXRCSA-N 1 0 377.451 3.951 20 30 GHEDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000102636898 883990182 /nfs/dbraw/zinc/99/01/82/883990182.db2.gz RAIFIUVYZNMYIX-CQSZACIVSA-N 1 0 376.570 3.597 20 30 GHEDRO O=C1C=COC2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)CC2)C1 ZINC000897602578 884054398 /nfs/dbraw/zinc/05/43/98/884054398.db2.gz QQSRQNATLNDADB-UHFFFAOYSA-N 1 0 390.277 3.563 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1OC ZINC000918653231 884094751 /nfs/dbraw/zinc/09/47/51/884094751.db2.gz GTXKYVZUILRHBQ-HEFNWKINSA-N 1 0 398.478 3.831 20 30 GHEDRO CN(C)C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000859847179 884118464 /nfs/dbraw/zinc/11/84/64/884118464.db2.gz CUMMCAVEUYFHQP-RTBURBONSA-N 1 0 378.303 3.791 20 30 GHEDRO CC1CC[NH+](CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000498358662 884141848 /nfs/dbraw/zinc/14/18/48/884141848.db2.gz GVWRIBGZKGPWQO-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO N#C[C@@H](COC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000805867643 884158721 /nfs/dbraw/zinc/15/87/21/884158721.db2.gz NOSHAKDBOVQHGA-FQEVSTJZSA-N 1 0 380.463 3.963 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(-n2cc(Cl)cn2)n1 ZINC000191530380 884196584 /nfs/dbraw/zinc/19/65/84/884196584.db2.gz YNQOJBUUOXQWIB-HNNXBMFYSA-N 1 0 381.867 3.982 20 30 GHEDRO N#Cc1csc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)n1 ZINC000897628111 884209751 /nfs/dbraw/zinc/20/97/51/884209751.db2.gz CNMASHXHHITARB-UHFFFAOYSA-N 1 0 391.338 3.531 20 30 GHEDRO C[N@H+](CCCN1c2ccccc2Sc2ccccc21)CC(=O)NCCC#N ZINC000860042857 884284687 /nfs/dbraw/zinc/28/46/87/884284687.db2.gz SUCJLNOVRINUEY-UHFFFAOYSA-N 1 0 380.517 3.641 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C2CCCC2)c1C#N ZINC000193120479 884331133 /nfs/dbraw/zinc/33/11/33/884331133.db2.gz CMUOQQGXKFCSHJ-UHFFFAOYSA-N 1 0 382.483 3.977 20 30 GHEDRO C=CC[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000494999435 884337811 /nfs/dbraw/zinc/33/78/11/884337811.db2.gz OJEDZCJRAGKDGK-HSZRJFAPSA-N 1 0 377.532 3.675 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000860168456 884390206 /nfs/dbraw/zinc/39/02/06/884390206.db2.gz YSXJWAJXOUCWTK-OAQYLSRUSA-N 1 0 399.535 3.796 20 30 GHEDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)cn1 ZINC000860206656 884416955 /nfs/dbraw/zinc/41/69/55/884416955.db2.gz VQBYLPRMWFKTJA-VGOFRKELSA-N 1 0 392.503 3.775 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495080601 884507136 /nfs/dbraw/zinc/50/71/36/884507136.db2.gz RSMACHSZSOODRW-OXJNMPFZSA-N 1 0 394.494 3.719 20 30 GHEDRO C=CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000250123668 884548194 /nfs/dbraw/zinc/54/81/94/884548194.db2.gz VUFITHVIUYDJBX-GOTSBHOMSA-N 1 0 378.516 3.619 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCN1c1ccccc1 ZINC000898068638 884583424 /nfs/dbraw/zinc/58/34/24/884583424.db2.gz PTOJVXYHPYNKCP-LJQANCHMSA-N 1 0 386.503 3.569 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC(C)C ZINC000127613400 884758233 /nfs/dbraw/zinc/75/82/33/884758233.db2.gz BITBILFBLMSZRI-DLBZAZTESA-N 1 0 387.524 3.864 20 30 GHEDRO N#C[C@H]1CCC[C@@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000860826263 885031428 /nfs/dbraw/zinc/03/14/28/885031428.db2.gz VSJJGYWVHQQWAB-MTQWCTHYSA-N 1 0 395.528 3.984 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460375771 885096891 /nfs/dbraw/zinc/09/68/91/885096891.db2.gz YWBMPRAPUCFQJA-YRXWBPOGSA-N 1 0 389.588 3.692 20 30 GHEDRO N#CCc1ccc(OCc2cccc(NC(=O)NCC[NH+]3CCCCC3)c2)cc1 ZINC000045196585 885108702 /nfs/dbraw/zinc/10/87/02/885108702.db2.gz JNTMDBBHAIUNOI-UHFFFAOYSA-N 1 0 392.503 3.939 20 30 GHEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460372512 885119949 /nfs/dbraw/zinc/11/99/49/885119949.db2.gz FAMZQOWJCQYGIK-SFHVURJKSA-N 1 0 377.492 3.940 20 30 GHEDRO COCC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)c(Cl)c1 ZINC000556514888 885210673 /nfs/dbraw/zinc/21/06/73/885210673.db2.gz IPBLAHQLCSZOJM-WMZOPIPTSA-N 1 0 386.323 3.715 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000556544630 885300060 /nfs/dbraw/zinc/30/00/60/885300060.db2.gz GAIGLFCAALAVKH-GUYCJALGSA-N 1 0 380.330 3.698 20 30 GHEDRO CCOC(=O)C1=C(N=c2[nH]ccc(C#N)c2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001170521743 885370456 /nfs/dbraw/zinc/37/04/56/885370456.db2.gz NGCNOGKSYGXGBO-UHFFFAOYSA-N 1 0 396.878 3.742 20 30 GHEDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000104413077 885445216 /nfs/dbraw/zinc/44/52/16/885445216.db2.gz FHGOBMIBJIFNRZ-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000807466610 885462147 /nfs/dbraw/zinc/46/21/47/885462147.db2.gz DLCZCDXERZWQOV-PKTZIBPZSA-N 1 0 381.564 3.775 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC3(CCC3)C[C@H]2C)c1=S ZINC000762138849 885470516 /nfs/dbraw/zinc/47/05/16/885470516.db2.gz NEXMFLKWACRLCX-GOSISDBHSA-N 1 0 389.613 3.850 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000610972351 885608462 /nfs/dbraw/zinc/60/84/62/885608462.db2.gz NKMCSHAEOOOSCU-SJORKVTESA-N 1 0 377.492 3.539 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000108506599 885764222 /nfs/dbraw/zinc/76/42/22/885764222.db2.gz YXCCRZDDFRNNJR-LJQANCHMSA-N 1 0 392.503 3.795 20 30 GHEDRO COc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000532489506 885826271 /nfs/dbraw/zinc/82/62/71/885826271.db2.gz KCWGRZSDVOTLMF-UHFFFAOYSA-N 1 0 381.501 3.504 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153496628 885871365 /nfs/dbraw/zinc/87/13/65/885871365.db2.gz IMDLBWBETMMARF-QGZVFWFLSA-N 1 0 387.499 3.599 20 30 GHEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000915217087 886047313 /nfs/dbraw/zinc/04/73/13/886047313.db2.gz YCDUOLIYVKVOHB-DNVCBOLYSA-N 1 0 386.455 3.925 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1=S ZINC000808191436 886086270 /nfs/dbraw/zinc/08/62/70/886086270.db2.gz MGRAUDSSASTQIE-JKSUJKDBSA-N 1 0 389.594 3.845 20 30 GHEDRO Cc1cc(C[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)ccc1C#N ZINC000487928375 886093799 /nfs/dbraw/zinc/09/37/99/886093799.db2.gz IWKJEQJYJWMSFN-KRWDZBQOSA-N 1 0 378.394 3.757 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000056597171 886276891 /nfs/dbraw/zinc/27/68/91/886276891.db2.gz ZYDGQMSEENCRCE-UHFFFAOYSA-N 1 0 398.551 3.743 20 30 GHEDRO C[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000131588807 886317614 /nfs/dbraw/zinc/31/76/14/886317614.db2.gz WEFRVYRUEDHPDE-GCJKJVERSA-N 1 0 376.504 3.777 20 30 GHEDRO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC000862537623 886443815 /nfs/dbraw/zinc/44/38/15/886443815.db2.gz ZSUHXHHBBGSINR-MUGJNUQGSA-N 1 0 397.519 3.644 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H]1[NH+](C)C ZINC000495712429 886485265 /nfs/dbraw/zinc/48/52/65/886485265.db2.gz LAMNTJDUICHKTB-AZUAARDMSA-N 1 0 397.569 3.827 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000808707289 886687537 /nfs/dbraw/zinc/68/75/37/886687537.db2.gz KFVZXDRSELWUOW-KPKJPENVSA-N 1 0 390.483 3.939 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124138784 886710014 /nfs/dbraw/zinc/71/00/14/886710014.db2.gz GDTAPNLUVZEKLB-MJGOQNOKSA-N 1 0 379.508 3.675 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2c(C)cc(Br)cc2OC)CC1 ZINC000171680032 886721141 /nfs/dbraw/zinc/72/11/41/886721141.db2.gz XZJGELYDZWFBMA-UHFFFAOYSA-N 1 0 382.302 3.538 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cccnc2SCc2ccc(F)cc2)CC1 ZINC000171718374 887030215 /nfs/dbraw/zinc/03/02/15/887030215.db2.gz DCJAMGNDCYEWOX-UHFFFAOYSA-N 1 0 385.508 3.893 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000171725426 887082437 /nfs/dbraw/zinc/08/24/37/887082437.db2.gz RQUNWKMGTAWQNK-AWEZNQCLSA-N 1 0 385.430 3.638 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487992033 887198112 /nfs/dbraw/zinc/19/81/12/887198112.db2.gz KMZPJCHHGDOBHF-OAHLLOKOSA-N 1 0 379.302 3.659 20 30 GHEDRO CN(c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1)C1CCCCC1 ZINC000863552236 887207066 /nfs/dbraw/zinc/20/70/66/887207066.db2.gz WORZQILQGKETCU-JOCHJYFZSA-N 1 0 385.552 3.616 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128757660 887219992 /nfs/dbraw/zinc/21/99/92/887219992.db2.gz BHNVOFZPGBLSFX-LMMKCTJWSA-N 1 0 397.548 3.989 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cn(C(F)F)c3ccccc23)cc1 ZINC000863581710 887223935 /nfs/dbraw/zinc/22/39/35/887223935.db2.gz GGRVKUIHNGRGPZ-KRWDZBQOSA-N 1 0 385.414 3.632 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2cnn(C(C)C)c2nc1C)C(C)C ZINC000496000389 887359706 /nfs/dbraw/zinc/35/97/06/887359706.db2.gz UHFWZVXWWGZZHO-FQEVSTJZSA-N 1 0 383.540 3.749 20 30 GHEDRO C#C[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000809684337 887702966 /nfs/dbraw/zinc/70/29/66/887702966.db2.gz YYOZNLQUELFSJD-QGZVFWFLSA-N 1 0 375.472 3.727 20 30 GHEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000809686032 887704458 /nfs/dbraw/zinc/70/44/58/887704458.db2.gz IWLLZTVKAJPXSV-MRXNPFEDSA-N 1 0 386.879 3.868 20 30 GHEDRO C=CCc1cc(C[N@H+]2CCCC[C@@H]2COC(=O)NCCC)cc(OC)c1O ZINC000809725864 887710074 /nfs/dbraw/zinc/71/00/74/887710074.db2.gz DONBATFANHUOMK-GOSISDBHSA-N 1 0 376.497 3.620 20 30 GHEDRO CCCCCCCCOc1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001211948400 887732762 /nfs/dbraw/zinc/73/27/62/887732762.db2.gz LMYQFXQJGGYERM-RXVVDRJESA-N 1 0 394.581 3.751 20 30 GHEDRO CN(CCC#N)c1ccc(CN(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000809737840 887773612 /nfs/dbraw/zinc/77/36/12/887773612.db2.gz MSAHXFPTQVWTAZ-UHFFFAOYSA-N 1 0 386.490 3.878 20 30 GHEDRO Clc1nc2ccccn2c1C=NOC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000809997423 888053894 /nfs/dbraw/zinc/05/38/94/888053894.db2.gz YCPVFPPWTJXLMN-GOSISDBHSA-N 1 0 398.894 3.629 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)CC1 ZINC000794808659 888181058 /nfs/dbraw/zinc/18/10/58/888181058.db2.gz MMZCHURVKCTZKM-UHFFFAOYSA-N 1 0 392.478 3.510 20 30 GHEDRO C[NH+]1CCC(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000105277483 888290827 /nfs/dbraw/zinc/29/08/27/888290827.db2.gz FWNIXMAJAKHXSY-UHFFFAOYSA-N 1 0 392.503 3.795 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)c1Cl ZINC001275309436 913229314 /nfs/dbraw/zinc/22/93/14/913229314.db2.gz YMRINPCQZIZGFV-UHFFFAOYSA-N 1 0 381.854 3.681 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000865544826 888429733 /nfs/dbraw/zinc/42/97/33/888429733.db2.gz HBENYSZLOVKNIK-JTQLQIEISA-N 1 0 394.426 3.517 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000810425278 888490290 /nfs/dbraw/zinc/49/02/90/888490290.db2.gz IDYNLORZAUMXJK-UHFFFAOYSA-N 1 0 375.516 3.627 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc2ccccc2n1CC#N ZINC001132303413 888565264 /nfs/dbraw/zinc/56/52/64/888565264.db2.gz VARNROAUJOHLQD-WIYYLYMNSA-N 1 0 386.499 3.663 20 30 GHEDRO CC1(COC(=O)Cc2cccc(OCC#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000810605235 888699280 /nfs/dbraw/zinc/69/92/80/888699280.db2.gz APFFYURBBYBLHB-UHFFFAOYSA-N 1 0 392.499 3.977 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3sccc3Cl)C2)C1=O ZINC001275313475 913270277 /nfs/dbraw/zinc/27/02/77/913270277.db2.gz FFXLIYBLSOCTGM-LAUBAEHRSA-N 1 0 384.932 3.853 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001211975311 888765308 /nfs/dbraw/zinc/76/53/08/888765308.db2.gz CUXVEXNRHIHCJZ-IRXDYDNUSA-N 1 0 387.480 3.586 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(F)c2OC)no1 ZINC001211976021 888783300 /nfs/dbraw/zinc/78/33/00/888783300.db2.gz XIRIRIANTNJPGD-YOEHRIQHSA-N 1 0 377.460 3.962 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(C#N)c1[O-] ZINC000866261469 888805053 /nfs/dbraw/zinc/80/50/53/888805053.db2.gz UAROXGURCDXMCN-HOTGVXAUSA-N 1 0 382.483 3.567 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000866495692 888904361 /nfs/dbraw/zinc/90/43/61/888904361.db2.gz QWGUSVAXVTXSES-JPYJTQIMSA-N 1 0 386.503 3.521 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NC2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000747646920 888971865 /nfs/dbraw/zinc/97/18/65/888971865.db2.gz VPUVJARUCXXCGD-UHFFFAOYSA-N 1 0 389.337 3.680 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)OC)CC1 ZINC000747649747 889001897 /nfs/dbraw/zinc/00/18/97/889001897.db2.gz KZAYMTWRVUZMRU-UHFFFAOYSA-N 1 0 392.455 3.549 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000064229388 889038248 /nfs/dbraw/zinc/03/82/48/889038248.db2.gz SQTSCXWTCIKHFH-UHFFFAOYSA-N 1 0 396.491 3.944 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000454470633 889092757 /nfs/dbraw/zinc/09/27/57/889092757.db2.gz XAGNZRFHXDIVIA-LJQANCHMSA-N 1 0 377.916 3.543 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)c2ncc(C#N)cc2Cl)c2cccs2)CC1 ZINC000532886679 889202362 /nfs/dbraw/zinc/20/23/62/889202362.db2.gz ZYVMKJWMMJTYRA-MRXNPFEDSA-N 1 0 388.924 3.871 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763396226 889219367 /nfs/dbraw/zinc/21/93/67/889219367.db2.gz CSQNIMWSFDSFBI-RTWAWAEBSA-N 1 0 399.535 3.703 20 30 GHEDRO CN(CC1CC[NH+](CCCOc2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC000763405188 889237611 /nfs/dbraw/zinc/23/76/11/889237611.db2.gz ZEVIBOJFXLNCJF-UHFFFAOYSA-N 1 0 387.524 3.906 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000454581687 889316196 /nfs/dbraw/zinc/31/61/96/889316196.db2.gz BMFCXCWJMWUCPV-OXQOHEQNSA-N 1 0 380.467 3.550 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C(F)(F)F)c1 ZINC000868209052 889352746 /nfs/dbraw/zinc/35/27/46/889352746.db2.gz GGTISFQYMNHAPO-KURKYZTESA-N 1 0 394.441 3.725 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000454695268 889535799 /nfs/dbraw/zinc/53/57/99/889535799.db2.gz OLTIFAIHTPASPA-IBGZPJMESA-N 1 0 378.476 3.519 20 30 GHEDRO N#CCSCCC[NH+]1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795035784 889577945 /nfs/dbraw/zinc/57/79/45/889577945.db2.gz XKXBBVGYYFOUES-VQTJNVASSA-N 1 0 387.549 3.660 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c(C(F)(F)F)c1 ZINC000811455944 889615671 /nfs/dbraw/zinc/61/56/71/889615671.db2.gz ZYFUXBVWSCCKSW-MRXNPFEDSA-N 1 0 388.393 3.823 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811491410 889641601 /nfs/dbraw/zinc/64/16/01/889641601.db2.gz KVWUVZMJCBBVTQ-CJNGLKHVSA-N 1 0 383.414 3.924 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(C(=O)Nc1ccc(C#N)cc1)CC2 ZINC001184726080 913396218 /nfs/dbraw/zinc/39/62/18/913396218.db2.gz SXMURTIGODPLMZ-UHFFFAOYSA-N 1 0 393.491 3.826 20 30 GHEDRO COc1cc(Br)c(C[NH2+]CCOc2ccc(C#N)cc2)c(OC)c1 ZINC000533187712 889977574 /nfs/dbraw/zinc/97/75/74/889977574.db2.gz HIINQTHWPMKFDT-UHFFFAOYSA-N 1 0 391.265 3.507 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2ccc(C)o2)N2CCOCC2)c(O)c1 ZINC000017701063 889990285 /nfs/dbraw/zinc/99/02/85/889990285.db2.gz GDTZKWSGFQWRBP-VRMLFSPKSA-N 1 0 385.508 3.632 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cnn(-c3ccccc3)c2)cc1OCCCC#N ZINC000064613878 890013317 /nfs/dbraw/zinc/01/33/17/890013317.db2.gz YRLVGUWZXCBLJT-UHFFFAOYSA-N 1 0 376.460 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000795099945 890245344 /nfs/dbraw/zinc/24/53/44/890245344.db2.gz NDSBEWGJUSRFSL-ICSRJNTNSA-N 1 0 385.508 3.658 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 ZINC000870269189 890291641 /nfs/dbraw/zinc/29/16/41/890291641.db2.gz OIBMTDMUNUHXPQ-UHFFFAOYSA-N 1 0 380.492 3.731 20 30 GHEDRO N#Cc1ccc(NC(=O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1Cl ZINC000533408034 890476921 /nfs/dbraw/zinc/47/69/21/890476921.db2.gz JOWVATJWSLHDEN-QGZVFWFLSA-N 1 0 388.943 3.738 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1C ZINC000533447602 890564689 /nfs/dbraw/zinc/56/46/89/890564689.db2.gz RWMOWHWWNMCADU-KSZLIROESA-N 1 0 388.581 3.681 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000812550085 890740758 /nfs/dbraw/zinc/74/07/58/890740758.db2.gz QBZQRCQVZHBWCO-UHFFFAOYSA-N 1 0 377.554 3.533 20 30 GHEDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000871357506 890789774 /nfs/dbraw/zinc/78/97/74/890789774.db2.gz LXXGEOOIJGOJKG-UHFFFAOYSA-N 1 0 381.476 3.723 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3ccc(OC)cc32)CC1 ZINC000126869826 890793685 /nfs/dbraw/zinc/79/36/85/890793685.db2.gz DMSXHCSRJSCZPE-UHFFFAOYSA-N 1 0 379.504 3.891 20 30 GHEDRO C=CCCOCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000644809973 913508166 /nfs/dbraw/zinc/50/81/66/913508166.db2.gz SDELJXZKNFTVEY-QHCPKHFHSA-N 1 0 393.531 3.668 20 30 GHEDRO N#CCc1ccnc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000871725305 890991958 /nfs/dbraw/zinc/99/19/58/890991958.db2.gz VRCSERGWVXIZKI-QHCPKHFHSA-N 1 0 389.503 3.668 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000455473908 890998798 /nfs/dbraw/zinc/99/87/98/890998798.db2.gz KCTJVEOFVCSUMV-SFHVURJKSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000455528917 891090383 /nfs/dbraw/zinc/09/03/83/891090383.db2.gz AZHHTFPDQJDOBY-XLIONFOSSA-N 1 0 394.494 3.797 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455528902 891090726 /nfs/dbraw/zinc/09/07/26/891090726.db2.gz AVSPLAOPSUEXOC-UHFFFAOYSA-N 1 0 394.494 3.751 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000812892473 891105087 /nfs/dbraw/zinc/10/50/87/891105087.db2.gz QPRFKHIQYCJRQY-VOQZNFBZSA-N 1 0 379.479 3.710 20 30 GHEDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000872032690 891127131 /nfs/dbraw/zinc/12/71/31/891127131.db2.gz XXYLLIAAAWBOTA-CQSZACIVSA-N 1 0 397.504 3.903 20 30 GHEDRO C[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082974 891145966 /nfs/dbraw/zinc/14/59/66/891145966.db2.gz FIYGOLZCMKCSIT-HNNXBMFYSA-N 1 0 382.439 3.921 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc4ncccc34)CC2)cc1 ZINC000873200698 891520079 /nfs/dbraw/zinc/52/00/79/891520079.db2.gz DMYISCHBLNZDHU-UHFFFAOYSA-N 1 0 399.498 3.524 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873308142 891572606 /nfs/dbraw/zinc/57/26/06/891572606.db2.gz AWABHYIEDIFXJF-FRRDWIJNSA-N 1 0 386.443 3.682 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873698818 891761600 /nfs/dbraw/zinc/76/16/00/891761600.db2.gz SUBKOBXEGYSUAM-MOPGFXCFSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3ccc(Br)cn3)CC2)C1=O ZINC001275376275 913611482 /nfs/dbraw/zinc/61/14/82/913611482.db2.gz CKFQLPYGNVKWPA-LJQANCHMSA-N 1 0 392.341 3.625 20 30 GHEDRO N#Cc1c2ccccc2cnc1N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001170718831 892168370 /nfs/dbraw/zinc/16/83/70/892168370.db2.gz RHFLQBKAZILCNB-MEMLXQNLSA-N 1 0 389.547 3.857 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(CO)c1 ZINC000154481116 892407700 /nfs/dbraw/zinc/40/77/00/892407700.db2.gz YNGFCOSNXATFRP-MRXNPFEDSA-O 1 0 397.564 3.672 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(C)cc1 ZINC000154495061 892419000 /nfs/dbraw/zinc/41/90/00/892419000.db2.gz ZGTSVMIWUFOELC-HNNXBMFYSA-O 1 0 384.525 3.568 20 30 GHEDRO C=CCc1cc(OC)ccc1OC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000875051084 892429972 /nfs/dbraw/zinc/42/99/72/892429972.db2.gz YTYUCDDIBABVPB-SFTDATJTSA-N 1 0 397.519 3.577 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000814248679 892462261 /nfs/dbraw/zinc/46/22/61/892462261.db2.gz DWEFFJKSJMQGME-HZPDHXFCSA-N 1 0 392.459 3.583 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(c3cc(C#N)c(Br)cn3)C2)CC1 ZINC001185106555 913667432 /nfs/dbraw/zinc/66/74/32/913667432.db2.gz KJQURSWVNQABES-HNNXBMFYSA-N 1 0 377.330 3.664 20 30 GHEDRO CCc1c(C)sc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C#N ZINC000875298526 892533754 /nfs/dbraw/zinc/53/37/54/892533754.db2.gz YISOHDNVSFRETF-PKOBYXMFSA-N 1 0 399.564 3.677 20 30 GHEDRO C#CCN(C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001134262919 892541123 /nfs/dbraw/zinc/54/11/23/892541123.db2.gz WJZCEIYDYRAHSX-UHFFFAOYSA-N 1 0 398.510 3.709 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509688631 892757369 /nfs/dbraw/zinc/75/73/69/892757369.db2.gz NMESJXSFWZTKMI-RPBOFIJWSA-N 1 0 388.559 3.970 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508704184 892759761 /nfs/dbraw/zinc/75/97/61/892759761.db2.gz BPBUPHBSHPVIAX-IBGZPJMESA-N 1 0 383.540 3.520 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272890372 892935114 /nfs/dbraw/zinc/93/51/14/892935114.db2.gz DSHWNWPJGBCAGL-YQHYCNIYSA-N 1 0 390.574 3.739 20 30 GHEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(CC#N)cc2Cl)c1 ZINC000455696337 893004328 /nfs/dbraw/zinc/00/43/28/893004328.db2.gz CJGMDIPLPJWGED-UHFFFAOYSA-N 1 0 386.883 3.668 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000508729781 893017546 /nfs/dbraw/zinc/01/75/46/893017546.db2.gz JXESNNRAQQSHQE-IBGZPJMESA-N 1 0 396.583 3.951 20 30 GHEDRO C[NH+](C)C1(CNC(=O)Nc2ccc(CC#N)cc2Cl)Cc2ccccc2C1 ZINC000455703791 893045172 /nfs/dbraw/zinc/04/51/72/893045172.db2.gz MWLMHITXOUXKJA-UHFFFAOYSA-N 1 0 382.895 3.627 20 30 GHEDRO N#CCc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000455703773 893045817 /nfs/dbraw/zinc/04/58/17/893045817.db2.gz MTPSFJZYWDNJEX-UHFFFAOYSA-N 1 0 383.883 3.839 20 30 GHEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CCC)CC1 ZINC000508731986 893053503 /nfs/dbraw/zinc/05/35/03/893053503.db2.gz ZTNHNIIXWHDECN-UHFFFAOYSA-N 1 0 391.972 3.942 20 30 GHEDRO C[C@@](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)(C1CC1)C(F)(F)F ZINC000933597646 893094632 /nfs/dbraw/zinc/09/46/32/893094632.db2.gz QQFYVNILWYNPNS-LJQANCHMSA-N 1 0 394.441 3.507 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455782939 893268092 /nfs/dbraw/zinc/26/80/92/893268092.db2.gz KNHRNOSRXDOUAY-GOEBONIOSA-N 1 0 383.883 3.781 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455778805 893299965 /nfs/dbraw/zinc/29/99/65/893299965.db2.gz GXMHAIFNHKNEPV-OAHLLOKOSA-N 1 0 383.883 3.735 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NCc3cc(C#N)cnc3Cl)cc2)CC1 ZINC000876865488 893366555 /nfs/dbraw/zinc/36/65/55/893366555.db2.gz BFXHESXSQWGXCQ-UHFFFAOYSA-N 1 0 383.927 3.997 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNCc3cc(C#N)cnc3Cl)cc2)C[C@@H](C)O1 ZINC000876915839 893386682 /nfs/dbraw/zinc/38/66/82/893386682.db2.gz DDRRBOLYLONHGR-HZPDHXFCSA-N 1 0 384.911 3.506 20 30 GHEDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000876954241 893404431 /nfs/dbraw/zinc/40/44/31/893404431.db2.gz JBDRQDDWBQXUHA-UHFFFAOYSA-N 1 0 380.517 3.599 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)ccc1OC ZINC000877029748 893445688 /nfs/dbraw/zinc/44/56/88/893445688.db2.gz MJOKPWWSRUIURK-FPOVZHCZSA-N 1 0 379.504 3.992 20 30 GHEDRO CC(C)(C)OC(=O)NC1CC2(C1)CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137115569 893464671 /nfs/dbraw/zinc/46/46/71/893464671.db2.gz WJANQFRSEVOGKC-UHFFFAOYSA-N 1 0 385.508 3.858 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cc1 ZINC001137116868 893523273 /nfs/dbraw/zinc/52/32/73/893523273.db2.gz UBMBMLPYBAXKCX-PWIZWCRZSA-N 1 0 381.501 3.885 20 30 GHEDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137118368 893556275 /nfs/dbraw/zinc/55/62/75/893556275.db2.gz VKHZHHTUCFUHTR-QFIPXVFZSA-N 1 0 389.499 3.569 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695071 893559216 /nfs/dbraw/zinc/55/92/16/893559216.db2.gz KPOAWEUOLMLPBB-HXUWFJFHSA-N 1 0 377.536 3.627 20 30 GHEDRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)CC2=O)cc1 ZINC001137119363 893570457 /nfs/dbraw/zinc/57/04/57/893570457.db2.gz IYYCZIDRTLDAPI-HSZRJFAPSA-N 1 0 375.472 3.526 20 30 GHEDRO CC[N@H+](CCC1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1)CC1CC1 ZINC000536737646 893699736 /nfs/dbraw/zinc/69/97/36/893699736.db2.gz PJYNWXPCTSOBAJ-JOCHJYFZSA-N 1 0 383.536 3.606 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000877584722 893703324 /nfs/dbraw/zinc/70/33/24/893703324.db2.gz IXMVPUNFROTMGB-AKHDSKFASA-N 1 0 391.556 3.711 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000129707553 893869061 /nfs/dbraw/zinc/86/90/61/893869061.db2.gz XPDGKWWALSWWBT-UHFFFAOYSA-N 1 0 385.733 3.802 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3cc(C#N)ccc32)C1 ZINC000563608849 893964829 /nfs/dbraw/zinc/96/48/29/893964829.db2.gz KNCSSJMZRDLNFA-UHFFFAOYSA-N 1 0 398.510 3.869 20 30 GHEDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459644911 893964767 /nfs/dbraw/zinc/96/47/67/893964767.db2.gz PVNMHTBLBYPZKE-HUUCEWRRSA-N 1 0 382.533 3.831 20 30 GHEDRO CCc1ccc(C#CC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000815546252 894011720 /nfs/dbraw/zinc/01/17/20/894011720.db2.gz DPXUHJCWRUAJOD-QHCPKHFHSA-N 1 0 375.516 3.509 20 30 GHEDRO C#CC[N@@H+](C)CCCN[C@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000815651727 894095621 /nfs/dbraw/zinc/09/56/21/894095621.db2.gz BLBMZEQCHPEOPX-JOCHJYFZSA-N 1 0 386.923 3.991 20 30 GHEDRO C#CC[N@H+](C)CCCN[C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000815652198 894096208 /nfs/dbraw/zinc/09/62/08/894096208.db2.gz UAZQSNNMSBFJPZ-SFHVURJKSA-N 1 0 379.273 3.815 20 30 GHEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000459734714 894127022 /nfs/dbraw/zinc/12/70/22/894127022.db2.gz SPIZMHZHWIBFBD-UHFFFAOYSA-N 1 0 375.108 3.823 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 ZINC000878255758 894133295 /nfs/dbraw/zinc/13/32/95/894133295.db2.gz SKSWFUJIAXEFLL-XTQVGHSUSA-N 1 0 399.535 3.662 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+](CCCO)Cc1cccc(Cl)c1)c1ccccc1 ZINC000878274275 894148075 /nfs/dbraw/zinc/14/80/75/894148075.db2.gz JTEIOODBJFMWAS-JOCHJYFZSA-N 1 0 384.907 3.965 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4cccc(C(F)(F)F)c4)CCC3)cnc12 ZINC000563810746 894216469 /nfs/dbraw/zinc/21/64/69/894216469.db2.gz LTMLUOOUCCCQBQ-UHFFFAOYSA-N 1 0 385.393 3.831 20 30 GHEDRO CCN(CC)C(=O)CCC1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878398890 894258949 /nfs/dbraw/zinc/25/89/49/894258949.db2.gz LQDYNXLGQMRUAR-DEOSSOPVSA-N 1 0 397.563 3.788 20 30 GHEDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000127108034 894274422 /nfs/dbraw/zinc/27/44/22/894274422.db2.gz YPQYMHCRELEPJS-UHFFFAOYSA-N 1 0 390.499 3.573 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC000778318650 894313812 /nfs/dbraw/zinc/31/38/12/894313812.db2.gz QBYMAKWMUUQGBH-KRWDZBQOSA-N 1 0 390.487 3.619 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)c3ncc(C#N)cc3C)CCC[N@@H+]2C)cc1 ZINC000815952250 894355637 /nfs/dbraw/zinc/35/56/37/894355637.db2.gz FZNKPWRNWZZHOY-WIYYLYMNSA-N 1 0 379.460 3.510 20 30 GHEDRO C[C@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816010263 894366937 /nfs/dbraw/zinc/36/69/37/894366937.db2.gz CHYQZTIVAIRQJG-PXNSSMCTSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000537132918 894380739 /nfs/dbraw/zinc/38/07/39/894380739.db2.gz WGZPACQUANWWAW-OAQYLSRUSA-N 1 0 386.492 3.992 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)cc1C)C(=S)NCCOC ZINC000022793294 894405537 /nfs/dbraw/zinc/40/55/37/894405537.db2.gz IQLARYOXVMGJER-UHFFFAOYSA-O 1 0 385.553 3.637 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000564001245 894428583 /nfs/dbraw/zinc/42/85/83/894428583.db2.gz BHWFORIQBFTGBV-DYESRHJHSA-N 1 0 380.488 3.653 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC[C@H]21 ZINC000878619173 894445543 /nfs/dbraw/zinc/44/55/43/894445543.db2.gz AHPBTAMNTHRJGY-DYESRHJHSA-N 1 0 376.460 3.908 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CCOCC1 ZINC000537220053 894585022 /nfs/dbraw/zinc/58/50/22/894585022.db2.gz MRBOYUQSFGDDEC-NVXWUHKLSA-N 1 0 375.538 3.814 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCOCC1 ZINC000537221001 894586773 /nfs/dbraw/zinc/58/67/73/894586773.db2.gz RDQOXNPAULUUFU-DOTOQJQBSA-N 1 0 375.538 3.672 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1 ZINC000878814780 894637574 /nfs/dbraw/zinc/63/75/74/894637574.db2.gz UHRNRNLVQDPPKW-DHJUGAMNSA-N 1 0 399.535 3.805 20 30 GHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000564256094 894779708 /nfs/dbraw/zinc/77/97/08/894779708.db2.gz OCXPBDMTZHETGA-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816456468 894822144 /nfs/dbraw/zinc/82/21/44/894822144.db2.gz IXWSDQHWPPUAQY-LVCYWYKZSA-N 1 0 378.472 3.779 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1cccc(OCC#N)c1 ZINC000816452767 894846894 /nfs/dbraw/zinc/84/68/94/894846894.db2.gz FUMPIPLTFUZRTO-XMSQKQJNSA-N 1 0 378.472 3.585 20 30 GHEDRO C#C[C@H]([NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)C(C)(C)C ZINC000816612410 894973082 /nfs/dbraw/zinc/97/30/82/894973082.db2.gz NZSKWGSCUHMAHR-TVPLGVNVSA-N 1 0 376.928 3.784 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897589410 895192500 /nfs/dbraw/zinc/19/25/00/895192500.db2.gz XBKNCNIEOWJCOE-YHYVQYDKSA-N 1 0 376.504 3.606 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000564719831 895208135 /nfs/dbraw/zinc/20/81/35/895208135.db2.gz QTQGDCOHPSMPHV-MRXNPFEDSA-N 1 0 390.487 3.644 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000564813857 895262444 /nfs/dbraw/zinc/26/24/44/895262444.db2.gz YKTRLGOAUHNZKG-GOTSBHOMSA-N 1 0 388.515 3.888 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603304 895394700 /nfs/dbraw/zinc/39/47/00/895394700.db2.gz PHPSCJNIQUFXPC-UHFFFAOYSA-O 1 0 394.520 3.771 20 30 GHEDRO C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001170881745 895941468 /nfs/dbraw/zinc/94/14/68/895941468.db2.gz LZDMIYKCBRVDAS-MJGOQNOKSA-N 1 0 387.524 3.810 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C(F)(F)F)c1 ZINC000880925136 896001434 /nfs/dbraw/zinc/00/14/34/896001434.db2.gz PTVAXZABLVVPPS-WMZOPIPTSA-N 1 0 394.441 3.583 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000566120047 896121376 /nfs/dbraw/zinc/12/13/76/896121376.db2.gz FGUDYYDKSNJEHH-NKKJXINNSA-N 1 0 376.500 3.980 20 30 GHEDRO N#CCCN(Cc1ccco1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881133925 896181379 /nfs/dbraw/zinc/18/13/79/896181379.db2.gz YIVLONJAWDNAGQ-FQEVSTJZSA-N 1 0 393.491 3.512 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1cccc(C#N)c1 ZINC000881136858 896187209 /nfs/dbraw/zinc/18/72/09/896187209.db2.gz JGTXVZTUPRMUCR-VGSWGCGISA-N 1 0 389.503 3.725 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1c(C)onc1-c1cccc(Cl)c1Cl ZINC000818588702 896215403 /nfs/dbraw/zinc/21/54/03/896215403.db2.gz CITCSLQTLSJVAV-UHFFFAOYSA-N 1 0 380.275 3.642 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000818611912 896216892 /nfs/dbraw/zinc/21/68/92/896216892.db2.gz IHSBVVDHVBNKOM-UHFFFAOYSA-N 1 0 381.863 3.689 20 30 GHEDRO Cc1cc(C#N)nc(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000566369882 896261026 /nfs/dbraw/zinc/26/10/26/896261026.db2.gz YXNQJRUDTUDCQH-UHFFFAOYSA-N 1 0 389.425 3.776 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC(C)(C)C[NH+](C)C)s1 ZINC000819032177 896361466 /nfs/dbraw/zinc/36/14/66/896361466.db2.gz CSNJCKCUXISSSO-UHFFFAOYSA-N 1 0 375.991 3.543 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000129095109 896383680 /nfs/dbraw/zinc/38/36/80/896383680.db2.gz CWAMFDWEHGDMLH-ITBHCLRTSA-N 1 0 399.579 3.831 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)ccc1OC ZINC000819070580 896386047 /nfs/dbraw/zinc/38/60/47/896386047.db2.gz XFOIXTWHSSQOSI-RBUKOAKNSA-N 1 0 388.895 3.723 20 30 GHEDRO C=CC[C@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccncc1 ZINC000819073395 896388177 /nfs/dbraw/zinc/38/81/77/896388177.db2.gz DNPFCWARZROMMW-INIZCTEOSA-N 1 0 389.883 3.988 20 30 GHEDRO C[C@@](O)(C[NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Br)cc1F ZINC000819271501 896558033 /nfs/dbraw/zinc/55/80/33/896558033.db2.gz SEGNWNIPYFYIRB-RBUKOAKNSA-N 1 0 389.268 3.944 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000819376776 896651822 /nfs/dbraw/zinc/65/18/22/896651822.db2.gz FZAYUPFTYXQLKF-LEWJYISDSA-N 1 0 399.535 3.533 20 30 GHEDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000566937701 896715795 /nfs/dbraw/zinc/71/57/95/896715795.db2.gz CBLGGXPALQGWDK-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000567035207 896819304 /nfs/dbraw/zinc/81/93/04/896819304.db2.gz TVYUKXBZSKQMNG-CYBMUJFWSA-N 1 0 387.867 3.736 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC000130480583 897099889 /nfs/dbraw/zinc/09/98/89/897099889.db2.gz QJVJDNCQMDLFKY-CQSZACIVSA-N 1 0 375.563 3.934 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cc1 ZINC000567375676 897102223 /nfs/dbraw/zinc/10/22/23/897102223.db2.gz CZBYFOVBOBLPCB-VQTJNVASSA-N 1 0 385.414 3.755 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567635691 897304387 /nfs/dbraw/zinc/30/43/87/897304387.db2.gz FAZWTOQRCPXBHO-QFIPXVFZSA-N 1 0 381.479 3.942 20 30 GHEDRO CS(C)(=O)=Nc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000883129452 897306013 /nfs/dbraw/zinc/30/60/13/897306013.db2.gz UCADQMJEGKVSAH-UHFFFAOYSA-N 1 0 382.533 3.994 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NCc2ccon2)cc1 ZINC000131090433 897319921 /nfs/dbraw/zinc/31/99/21/897319921.db2.gz YOYIVBFSFOHZPH-UHFFFAOYSA-O 1 0 392.460 3.745 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NCc2ccon2)cc1 ZINC000131112116 897323974 /nfs/dbraw/zinc/32/39/74/897323974.db2.gz FHZBHIVKYCAELL-UHFFFAOYSA-O 1 0 380.493 3.562 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000567684282 897335535 /nfs/dbraw/zinc/33/55/35/897335535.db2.gz GCDYPJHZSYTCIN-PBHICJAKSA-N 1 0 389.849 3.606 20 30 GHEDRO C#C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000820494097 897358191 /nfs/dbraw/zinc/35/81/91/897358191.db2.gz BVHSXYQRAMAVEJ-FQEVSTJZSA-N 1 0 389.421 3.552 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1CCCO1 ZINC000883196128 897359991 /nfs/dbraw/zinc/35/99/91/897359991.db2.gz KHGVOARHIOZBSJ-MOPGFXCFSA-N 1 0 385.533 3.677 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 ZINC000568321080 897736778 /nfs/dbraw/zinc/73/67/78/897736778.db2.gz ZJPPESHXZURUJP-QGZVFWFLSA-N 1 0 397.441 3.792 20 30 GHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000568385285 897799995 /nfs/dbraw/zinc/79/99/95/897799995.db2.gz YYZQARRUGBQJIT-UHFFFAOYSA-N 1 0 394.899 3.692 20 30 GHEDRO C[C@H]1CCc2c(sc3nc(CC[NH+]4CCC(CCC#N)CC4)nc(N)c23)C1 ZINC000568389539 897801964 /nfs/dbraw/zinc/80/19/64/897801964.db2.gz NZLQWDPPFXQWKC-AWEZNQCLSA-N 1 0 383.565 3.957 20 30 GHEDRO C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000883709321 897845113 /nfs/dbraw/zinc/84/51/13/897845113.db2.gz DPIPWOFMAVNGCO-RXVVDRJESA-N 1 0 377.492 3.737 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000568743868 898077367 /nfs/dbraw/zinc/07/73/67/898077367.db2.gz YEBGMWRBHBJNNW-UWJYYQICSA-N 1 0 399.510 3.742 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC001202619601 898368415 /nfs/dbraw/zinc/36/84/15/898368415.db2.gz IPJBZSOIKULCKJ-UHFFFAOYSA-N 1 0 375.472 3.508 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC001136590657 898448913 /nfs/dbraw/zinc/44/89/13/898448913.db2.gz AKFNRGFYVQWFRE-FQEVSTJZSA-N 1 0 382.504 3.612 20 30 GHEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289606965 914261550 /nfs/dbraw/zinc/26/15/50/914261550.db2.gz AGRQJWNHMZAZSQ-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cccc(C(=O)OC)c2)C(=S)N[C@@H](C)CC)cc1 ZINC000133598006 898705768 /nfs/dbraw/zinc/70/57/68/898705768.db2.gz ZMZCSCVPGITQNI-HNNXBMFYSA-O 1 0 399.536 3.650 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)C2 ZINC000884095767 898857161 /nfs/dbraw/zinc/85/71/61/898857161.db2.gz YYBAROPPRXDNIZ-RHWPRIALSA-N 1 0 397.881 3.824 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C2 ZINC000884099606 898867604 /nfs/dbraw/zinc/86/76/04/898867604.db2.gz UFJUPWRVLMIOJR-BESSAKFISA-N 1 0 393.918 3.879 20 30 GHEDRO N#Cc1cc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1F ZINC000569681318 898880646 /nfs/dbraw/zinc/88/06/46/898880646.db2.gz AJNQQVKBDYBEJL-MJGOQNOKSA-N 1 0 378.451 3.683 20 30 GHEDRO CC(C)Oc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000113323142 898983767 /nfs/dbraw/zinc/98/37/67/898983767.db2.gz XTBUDBIOGOBTNS-UHFFFAOYSA-N 1 0 375.476 3.936 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OCC3CC3)nc2)c(-c2ccccc2)n1 ZINC000113331697 898985254 /nfs/dbraw/zinc/98/52/54/898985254.db2.gz KKMXVSGBVWVXOY-UHFFFAOYSA-N 1 0 387.487 3.937 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331646634 899053142 /nfs/dbraw/zinc/05/31/42/899053142.db2.gz VXKCEHAZVUNSHL-DKBNTXJOSA-N 1 0 383.536 3.583 20 30 GHEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884149390 899088681 /nfs/dbraw/zinc/08/86/81/899088681.db2.gz JXMDJJQQDAENCU-YVDIRLSNSA-N 1 0 389.927 3.691 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000570457991 899325492 /nfs/dbraw/zinc/32/54/92/899325492.db2.gz FLVKSLJCCNCLSG-SESVDKBCSA-N 1 0 395.551 3.662 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(Oc3ccc(Cl)cc3)nc1)C2 ZINC000884201895 899336513 /nfs/dbraw/zinc/33/65/13/899336513.db2.gz KMCRDIVGVFYXEN-LQZXRHCMSA-N 1 0 382.851 3.605 20 30 GHEDRO Cc1cccc(Oc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cn2)c1C ZINC000884222080 899412698 /nfs/dbraw/zinc/41/26/98/899412698.db2.gz HZKVRXJZBCRKFU-PSCUFVCCSA-N 1 0 376.460 3.569 20 30 GHEDRO C[C@@H]1C[C@@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)CCN1C(=O)OC(C)(C)C ZINC000824339573 899540130 /nfs/dbraw/zinc/54/01/30/899540130.db2.gz XIEGBIUSMQFOGU-MOPGFXCFSA-N 1 0 398.551 3.974 20 30 GHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000156264970 899613322 /nfs/dbraw/zinc/61/33/22/899613322.db2.gz IYKQZNGIDASUAX-UHFFFAOYSA-N 1 0 383.883 3.987 20 30 GHEDRO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000824597966 899712066 /nfs/dbraw/zinc/71/20/66/899712066.db2.gz YFCMPLOYGCAKQR-OAQYLSRUSA-N 1 0 375.472 3.853 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC(Sc3ccc(Cl)cc3)CC1)C2 ZINC000884321087 899787438 /nfs/dbraw/zinc/78/74/38/899787438.db2.gz GFJQRLZXIQCLJV-CHWWFWEZSA-N 1 0 389.952 3.562 20 30 GHEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1NC(=O)C(C)(C)C ZINC000120454086 899819935 /nfs/dbraw/zinc/81/99/35/899819935.db2.gz KZLIMTSXRXOPEU-UHFFFAOYSA-N 1 0 387.528 3.679 20 30 GHEDRO Cc1ccc2c(C[N@@H+]3CC[C@@]4(CC(=O)N(c5cccc(C#N)c5)C4)C3)c[nH]c2c1 ZINC001136973108 899930726 /nfs/dbraw/zinc/93/07/26/899930726.db2.gz MJUVRJCKCVQPET-XMMPIXPASA-N 1 0 384.483 3.977 20 30 GHEDRO C=CCC1([NH2+]C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CCCCC1 ZINC000825023902 899938572 /nfs/dbraw/zinc/93/85/72/899938572.db2.gz ICAGGMXHMAETSF-GOSISDBHSA-N 1 0 393.572 3.618 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001171078314 900045878 /nfs/dbraw/zinc/04/58/78/900045878.db2.gz MARACBQNHKFTLY-VFNWGFHPSA-N 1 0 377.479 3.662 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1)C2 ZINC000884451393 900088483 /nfs/dbraw/zinc/08/84/83/900088483.db2.gz NXYBKJKCVKPHPX-BOLVRDICSA-N 1 0 395.400 3.647 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Br)c(C)cn1)CC2 ZINC001143657785 900299995 /nfs/dbraw/zinc/29/99/95/900299995.db2.gz OVPFXRGAVBQYBR-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000573558107 900559985 /nfs/dbraw/zinc/55/99/85/900559985.db2.gz PCIUJLLQNRWIGR-HKUYNNGSSA-N 1 0 388.920 3.911 20 30 GHEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000573722130 900606870 /nfs/dbraw/zinc/60/68/70/900606870.db2.gz GLAHDFSSWATSEZ-UXHICEINSA-N 1 0 387.483 3.840 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001143849444 900627415 /nfs/dbraw/zinc/62/74/15/900627415.db2.gz LEZLEKQSENDUTP-AVRDEDQJSA-N 1 0 376.500 3.788 20 30 GHEDRO C=CCN1C[C@]2(CC[N@@H+](CC(C)(C)Sc3ccc(Cl)cc3)C2)OCC1=O ZINC001275514613 914464131 /nfs/dbraw/zinc/46/41/31/914464131.db2.gz CTBPITWAPAQSOR-HXUWFJFHSA-N 1 0 394.968 3.700 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885967073 900657435 /nfs/dbraw/zinc/65/74/35/900657435.db2.gz GYJGTHFVDBQZAK-OALUTQOASA-N 1 0 391.556 3.543 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)cc(OC)c2OC)ccc1OC ZINC000885981756 900664712 /nfs/dbraw/zinc/66/47/12/900664712.db2.gz MOLJRLUSINPOOF-SFHVURJKSA-N 1 0 384.476 3.992 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CCC1 ZINC000886068116 900701748 /nfs/dbraw/zinc/70/17/48/900701748.db2.gz RWMORKUSKFAAPX-INIZCTEOSA-N 1 0 393.890 3.574 20 30 GHEDRO [NH2+]=C(NCc1cccc(COCC(F)(F)F)c1)N[C@H]1CCOc2ccccc21 ZINC000136898588 900769068 /nfs/dbraw/zinc/76/90/68/900769068.db2.gz BUMAZMDPQHSGPS-KRWDZBQOSA-N 1 0 393.409 3.694 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574544092 900923142 /nfs/dbraw/zinc/92/31/42/900923142.db2.gz HPPYEJPMVJQNOR-OAQYLSRUSA-N 1 0 392.503 3.989 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)ccc1C#N ZINC000886346517 900945124 /nfs/dbraw/zinc/94/51/24/900945124.db2.gz JZDJOHZRZUFFPV-MRXNPFEDSA-N 1 0 395.450 3.549 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1C#N ZINC000886347008 900946190 /nfs/dbraw/zinc/94/61/90/900946190.db2.gz WDQRWDSNNKCOJU-INIZCTEOSA-N 1 0 395.450 3.549 20 30 GHEDRO COc1cccc([C@@H]2[C@H](Nc3ccc(C#N)c([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000574613072 900949943 /nfs/dbraw/zinc/94/99/43/900949943.db2.gz GFYQDNBVOSUFGD-TZIWHRDSSA-N 1 0 378.432 3.865 20 30 GHEDRO COc1cccc(C[C@@H]2C[N@H+](CC3(CC#N)CC3)CCN2CC2(CC#N)CC2)c1 ZINC000886386700 900972979 /nfs/dbraw/zinc/97/29/79/900972979.db2.gz DAYBTYVGMLEDME-OAQYLSRUSA-N 1 0 392.547 3.612 20 30 GHEDRO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1F ZINC000067977644 901071253 /nfs/dbraw/zinc/07/12/53/901071253.db2.gz PYPXUCGIPWQZEE-UHFFFAOYSA-N 1 0 377.467 3.960 20 30 GHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000575146101 901136608 /nfs/dbraw/zinc/13/66/08/901136608.db2.gz KITCWDCNBXLTKN-GCJKJVERSA-N 1 0 389.499 3.836 20 30 GHEDRO C#CCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)C1CC[NH+](C)CC1 ZINC000886576106 901175410 /nfs/dbraw/zinc/17/54/10/901175410.db2.gz XGIBICBPKUKARL-UHFFFAOYSA-N 1 0 391.393 3.530 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000886709483 901239656 /nfs/dbraw/zinc/23/96/56/901239656.db2.gz RNLYQXILRNCUJQ-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247137 901445100 /nfs/dbraw/zinc/44/51/00/901445100.db2.gz GHEKWPJBCFSYNE-VGSWGCGISA-N 1 0 376.504 3.707 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(C(F)(F)F)c1 ZINC000575954566 901512093 /nfs/dbraw/zinc/51/20/93/901512093.db2.gz BKYIQBBZYBLFDB-VQIMIIECSA-N 1 0 379.426 3.898 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000124254055 902044731 /nfs/dbraw/zinc/04/47/31/902044731.db2.gz PBKHJILMUNZULL-LAUBAEHRSA-N 1 0 377.488 3.692 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]2CCO[C@@H]21 ZINC000333389162 902056882 /nfs/dbraw/zinc/05/68/82/902056882.db2.gz GPWXUXDNIWWBSK-ZMYBRWDISA-N 1 0 387.549 3.620 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144406046 902063465 /nfs/dbraw/zinc/06/34/65/902063465.db2.gz PYPPLGDZVMHBPL-HXUWFJFHSA-N 1 0 388.899 3.827 20 30 GHEDRO CC[N@H+](CCCNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC000845364187 902092654 /nfs/dbraw/zinc/09/26/54/902092654.db2.gz YGHIXXZJIXFAAP-JOCHJYFZSA-N 1 0 398.551 3.686 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001171178935 902122335 /nfs/dbraw/zinc/12/23/35/902122335.db2.gz MBEDPEUPPJPBMM-XLIONFOSSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001171186705 902196145 /nfs/dbraw/zinc/19/61/45/902196145.db2.gz YOHXNCHUEJHIAD-QAPCUYQASA-N 1 0 393.478 3.971 20 30 GHEDRO Cc1cc(C(F)(F)F)c(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1 ZINC000845760518 902373075 /nfs/dbraw/zinc/37/30/75/902373075.db2.gz DRNSYHBZQXMCBR-UHFFFAOYSA-N 1 0 375.398 3.752 20 30 GHEDRO CC(=O)NC1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000263724816 902439100 /nfs/dbraw/zinc/43/91/00/902439100.db2.gz WWWBJPYLDSGRSF-UHFFFAOYSA-N 1 0 377.488 3.674 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC000846062568 902676944 /nfs/dbraw/zinc/67/69/44/902676944.db2.gz CKYCUYJRCLSEKL-ATZDWAIDSA-N 1 0 385.508 3.903 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001171210338 902677472 /nfs/dbraw/zinc/67/74/72/902677472.db2.gz SNRTWUMQPIGAEE-GCJKJVERSA-N 1 0 377.488 3.587 20 30 GHEDRO CC(C)c1nn(C)c(Cl)c1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846107166 902683978 /nfs/dbraw/zinc/68/39/78/902683978.db2.gz MDXROMRNQNTTDO-UHFFFAOYSA-N 1 0 385.943 3.823 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001171216772 902782307 /nfs/dbraw/zinc/78/23/07/902782307.db2.gz LBRPLTCBKSCAKJ-LWZKNFMGSA-N 1 0 391.515 3.723 20 30 GHEDRO COc1cccc(-c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cc2)c1 ZINC000600727617 902850365 /nfs/dbraw/zinc/85/03/65/902850365.db2.gz YKBHSNLZSKWYPM-NRFANRHFSA-N 1 0 380.488 3.523 20 30 GHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600729320 902851909 /nfs/dbraw/zinc/85/19/09/902851909.db2.gz XQDYKKMHVMIHOV-KBXCAEBGSA-N 1 0 378.394 3.538 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048149554 902957717 /nfs/dbraw/zinc/95/77/17/902957717.db2.gz AAIMZLWJRSTOLF-SFHVURJKSA-N 1 0 398.532 3.623 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)n1ccc2c1ncnc2N(C)[C@H]1C[NH2+]CC[C@H]1C ZINC001171229439 903037459 /nfs/dbraw/zinc/03/74/59/903037459.db2.gz NLWAJVRJRNWEHE-WWMYMODYSA-N 1 0 388.519 3.541 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001171232395 903064769 /nfs/dbraw/zinc/06/47/69/903064769.db2.gz RDRJRCMDJJRFCG-VQIMIIECSA-N 1 0 377.463 3.749 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Cl)c(Cl)[nH]3)CC2)c1 ZINC000846612294 903092093 /nfs/dbraw/zinc/09/20/93/903092093.db2.gz RAAQJZWJFHEYCS-UHFFFAOYSA-N 1 0 377.275 3.588 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4ccccc4cc3N)CC2)c1 ZINC000846700832 903149450 /nfs/dbraw/zinc/14/94/50/903149450.db2.gz IOYIMAJVPAZUNN-UHFFFAOYSA-N 1 0 384.483 3.688 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000264563872 903203315 /nfs/dbraw/zinc/20/33/15/903203315.db2.gz PGFZGIXIUGPVOW-UHFFFAOYSA-N 1 0 398.894 3.982 20 30 GHEDRO COc1cccc(C[C@H]([NH3+])C(=O)N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)c1 ZINC001144937228 903213232 /nfs/dbraw/zinc/21/32/32/903213232.db2.gz MDGXFRFQEJVECA-HXOBKFHXSA-N 1 0 392.499 3.792 20 30 GHEDRO N#CC1(NC(=O)c2cc(Cl)nc(C3CC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000846954812 903346121 /nfs/dbraw/zinc/34/61/21/903346121.db2.gz WSOIBUPLSLBNKK-UHFFFAOYSA-N 1 0 394.906 3.901 20 30 GHEDRO N#Cc1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c2sccc21 ZINC000601118122 903354107 /nfs/dbraw/zinc/35/41/07/903354107.db2.gz HJMCHTBYUWTTTE-NSHDSACASA-N 1 0 382.518 3.713 20 30 GHEDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000133198825 903355772 /nfs/dbraw/zinc/35/57/72/903355772.db2.gz PQORORKMWHNOAM-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000847017609 903401227 /nfs/dbraw/zinc/40/12/27/903401227.db2.gz RVGFSZOZTAKCSY-CYFREDJKSA-N 1 0 375.516 3.765 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779050662 903542155 /nfs/dbraw/zinc/54/21/55/903542155.db2.gz WRWFBDDINGGHPF-ICSRJNTNSA-N 1 0 377.488 3.731 20 30 GHEDRO Cc1nc(C(=O)OC(C)C)ccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171282563 903583127 /nfs/dbraw/zinc/58/31/27/903583127.db2.gz SNNFYVQLEVEQLW-UHFFFAOYSA-N 1 0 392.503 3.926 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)c(NCc2ccccc2N2CC[NH2+]CC2)c1Cl ZINC001171281946 903587081 /nfs/dbraw/zinc/58/70/81/903587081.db2.gz VCMIZWIHMPGRMI-UHFFFAOYSA-N 1 0 396.709 3.935 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)nc1 ZINC000578277442 903681741 /nfs/dbraw/zinc/68/17/41/903681741.db2.gz QBPCMINPXDBFLX-SFHVURJKSA-N 1 0 379.851 3.650 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)ccc1OC ZINC000772979808 903744356 /nfs/dbraw/zinc/74/43/56/903744356.db2.gz NHLPBCNQPQAUAX-PXNSSMCTSA-N 1 0 395.503 3.907 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@@H]2CCOC2)c1 ZINC000136520965 903789236 /nfs/dbraw/zinc/78/92/36/903789236.db2.gz XPZPTIXJOQJICL-SFHVURJKSA-O 1 0 397.564 3.971 20 30 GHEDRO CC(C)(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136519724 903789503 /nfs/dbraw/zinc/78/95/03/903789503.db2.gz OGIVVFYXQXZJOL-QGZVFWFLSA-O 1 0 397.564 3.837 20 30 GHEDRO Cc1nnc2n1C[C@@H](C[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1)CC2 ZINC000265319109 903802354 /nfs/dbraw/zinc/80/23/54/903802354.db2.gz NHEMJCXPLXFKND-HXUWFJFHSA-N 1 0 388.519 3.524 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171309054 903815472 /nfs/dbraw/zinc/81/54/72/903815472.db2.gz YECORVZWDLKOSO-MRXNPFEDSA-N 1 0 392.927 3.830 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000151378182 904118517 /nfs/dbraw/zinc/11/85/17/904118517.db2.gz TXGKNUZIPAVGIV-PGRDOPGGSA-N 1 0 391.519 3.951 20 30 GHEDRO N#CC(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)(c1ccccc1)c1ccccc1 ZINC000578835365 904162017 /nfs/dbraw/zinc/16/20/17/904162017.db2.gz OJJVNQGCCFHDPR-AGILITTLSA-N 1 0 390.527 3.748 20 30 GHEDRO CC(C)Oc1ccc(C(=O)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1C#N ZINC001148777808 904186518 /nfs/dbraw/zinc/18/65/18/904186518.db2.gz WELSFKGUBJVBEH-UHFFFAOYSA-N 1 0 381.520 3.715 20 30 GHEDRO CC(C)Oc1ccc(C(=O)n2cc(N)c(=[NH2+])c(-c3cccc(F)c3)c2)cc1C#N ZINC001148768257 904204569 /nfs/dbraw/zinc/20/45/69/904204569.db2.gz LNYWWPWIBWJHLR-UHFFFAOYSA-N 1 0 390.418 3.703 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C(CC)CC)cc1 ZINC000151921997 904214156 /nfs/dbraw/zinc/21/41/56/904214156.db2.gz GAOMAWABOSVCMN-UHFFFAOYSA-O 1 0 385.557 3.716 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001171374747 904399967 /nfs/dbraw/zinc/39/99/67/904399967.db2.gz UZPUPFBHPWNISS-UZLBHIALSA-N 1 0 377.488 3.575 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000104173872 904547277 /nfs/dbraw/zinc/54/72/77/904547277.db2.gz ZOEKFEJDMDYRPT-UHFFFAOYSA-N 1 0 398.526 3.838 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171475985 904749914 /nfs/dbraw/zinc/74/99/14/904749914.db2.gz IPAMWOUOZMROQS-GCJKJVERSA-N 1 0 390.474 3.933 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000579676140 904803387 /nfs/dbraw/zinc/80/33/87/904803387.db2.gz KHSLIHOBODBVEG-DBXWQHBBSA-N 1 0 390.535 3.559 20 30 GHEDRO C#CCOc1ccc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000075324979 904903415 /nfs/dbraw/zinc/90/34/15/904903415.db2.gz BHICWFFMYRNXRP-OAQYLSRUSA-N 1 0 376.500 3.683 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(-c2ccccc2)n1 ZINC000290895715 914860357 /nfs/dbraw/zinc/86/03/57/914860357.db2.gz LRBNVGBFUYBCAR-IRLDBZIGSA-N 1 0 376.504 3.997 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189205098 905043650 /nfs/dbraw/zinc/04/36/50/905043650.db2.gz QUJREWGRXSHANT-UGKGYDQZSA-N 1 0 383.536 3.830 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC001171791255 905049920 /nfs/dbraw/zinc/04/99/20/905049920.db2.gz FHGFFROWQNDVLB-IBGZPJMESA-N 1 0 390.458 3.522 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001171841402 905091247 /nfs/dbraw/zinc/09/12/47/905091247.db2.gz OOUGMPDQHPROTG-LJQANCHMSA-N 1 0 397.441 3.744 20 30 GHEDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076408678 905135364 /nfs/dbraw/zinc/13/53/64/905135364.db2.gz RDQZYOJQLWXOII-HNNXBMFYSA-N 1 0 375.538 3.718 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)[C@@H]2CC ZINC001171952728 905158959 /nfs/dbraw/zinc/15/89/59/905158959.db2.gz VYPJWXIVAXOFTR-IMLZRQKTSA-N 1 0 390.568 3.920 20 30 GHEDRO CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174395913 905265881 /nfs/dbraw/zinc/26/58/81/905265881.db2.gz MJETYRDVNUCTDJ-FQEVSTJZSA-N 1 0 387.487 3.562 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCOC3CCOCC3)c2)c1 ZINC000174462469 905276520 /nfs/dbraw/zinc/27/65/20/905276520.db2.gz XAIYIXGZAHUZGZ-UHFFFAOYSA-N 1 0 380.488 3.813 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1cccc(C#N)c1)C2 ZINC001172090260 905307415 /nfs/dbraw/zinc/30/74/15/905307415.db2.gz UNCPGYAYXDIVGE-REPLKXPHSA-N 1 0 385.508 3.847 20 30 GHEDRO COC(=O)[C@H](C[NH3+])c1cn([C@H](C)Cc2ccc(C#N)cc2)c2ccc(OC)cc12 ZINC001172300529 905453642 /nfs/dbraw/zinc/45/36/42/905453642.db2.gz WTBMPLJSNBAZQS-FOIQADDNSA-N 1 0 391.471 3.541 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001172301364 905455399 /nfs/dbraw/zinc/45/53/99/905455399.db2.gz NIIZIRFZFWZSIS-DHJUGAMNSA-N 1 0 399.535 3.637 20 30 GHEDRO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)Cc2cn(CC3CC3)nc21 ZINC001172303981 905456673 /nfs/dbraw/zinc/45/66/73/905456673.db2.gz JJBLBXSSDXSPRA-VGOFRKELSA-N 1 0 378.520 3.732 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001172307667 905463225 /nfs/dbraw/zinc/46/32/25/905463225.db2.gz IOFMATPPWUWVQL-GCJKJVERSA-N 1 0 379.548 3.898 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001172307144 905463369 /nfs/dbraw/zinc/46/33/69/905463369.db2.gz DYORTRGOMZVSKZ-IBURTVSXSA-N 1 0 391.515 3.580 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001172308894 905464996 /nfs/dbraw/zinc/46/49/96/905464996.db2.gz PPTLAGKWBYKXGH-KPDCDPCYSA-N 1 0 395.478 3.726 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172309642 905467335 /nfs/dbraw/zinc/46/73/35/905467335.db2.gz VERRENNWYCJQMI-IBGZPJMESA-N 1 0 381.520 3.990 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001172309909 905467837 /nfs/dbraw/zinc/46/78/37/905467837.db2.gz WCOPBDBPVSDSQV-DYESRHJHSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001172313186 905469401 /nfs/dbraw/zinc/46/94/01/905469401.db2.gz QZRKUZUEGCNYMD-IBGZPJMESA-N 1 0 383.499 3.768 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001172312564 905469425 /nfs/dbraw/zinc/46/94/25/905469425.db2.gz GZGREYHRHZYRDU-WMLDXEAASA-N 1 0 390.409 3.841 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001172299602 905484359 /nfs/dbraw/zinc/48/43/59/905484359.db2.gz MCLRCIUDIOSZIV-VGSWGCGISA-N 1 0 383.923 3.806 20 30 GHEDRO CCCCCCC[C@@H](CC)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172356150 905526343 /nfs/dbraw/zinc/52/63/43/905526343.db2.gz USFACOXSWAPBOQ-OAQYLSRUSA-N 1 0 375.605 3.585 20 30 GHEDRO CCCCCCC[C@H](CC)n1nncc1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001172355640 905527083 /nfs/dbraw/zinc/52/70/83/905527083.db2.gz PLTDKXWTIWAIFA-RBBKRZOGSA-N 1 0 391.604 3.792 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)CCOCC(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001172468093 905580135 /nfs/dbraw/zinc/58/01/35/905580135.db2.gz VTKPNBHMPBSSAP-BKULYWANSA-N 1 0 384.564 3.942 20 30 GHEDRO CC(C)CCN1[C@]2(CC[N@@H+]([C@H](C)CCCC#N)C2)c2ccccc2S1(=O)=O ZINC001172495023 905598235 /nfs/dbraw/zinc/59/82/35/905598235.db2.gz LTXJGHDOCYPNHZ-NQIIRXRSSA-N 1 0 389.565 3.720 20 30 GHEDRO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@H+]([C@@H](C)CCCC#N)CCO3)cs1 ZINC001172495913 905598831 /nfs/dbraw/zinc/59/88/31/905598831.db2.gz WJSHCJHTRQPFLO-XKGZKEIXSA-N 1 0 377.554 3.922 20 30 GHEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001172505675 905601724 /nfs/dbraw/zinc/60/17/24/905601724.db2.gz RPEMZHHSPVBIJM-WOJBJXKFSA-N 1 0 382.589 3.902 20 30 GHEDRO CCC[N@H+]([C@H](C)CCCC#N)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001172507293 905604301 /nfs/dbraw/zinc/60/43/01/905604301.db2.gz SBIRWBXQLXIQKB-HUUCEWRRSA-N 1 0 379.526 3.965 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C2)C1=O ZINC001172634315 905695864 /nfs/dbraw/zinc/69/58/64/905695864.db2.gz GNQNOUQPZYPKMO-FHWLQOOXSA-N 1 0 393.572 3.711 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)CCC(=O)OC(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001172753453 905799001 /nfs/dbraw/zinc/79/90/01/905799001.db2.gz ZEKFJLPYTOOURJ-ZYKOEDHHSA-N 1 0 398.547 3.611 20 30 GHEDRO COc1ccc2c(CC[NH3+])cn([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c2c1 ZINC001172981828 906047180 /nfs/dbraw/zinc/04/71/80/906047180.db2.gz OKJRWXKQZHUFCE-SJORKVTESA-N 1 0 398.507 3.615 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](OCc3ccccc3)C2)C[C@H]1C#N ZINC001172986780 906051403 /nfs/dbraw/zinc/05/14/03/906051403.db2.gz YIFLJRIHNIAJJC-SLFFLAALSA-N 1 0 385.508 3.569 20 30 GHEDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633427 906184549 /nfs/dbraw/zinc/18/45/49/906184549.db2.gz ZIQFCZUXJBIULL-VGOFRKELSA-N 1 0 377.488 3.797 20 30 GHEDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633489 906184723 /nfs/dbraw/zinc/18/47/23/906184723.db2.gz ZIQFCZUXJBIULL-JTSKRJEESA-N 1 0 377.488 3.797 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCC(Oc3ccccc3)CC1)C2 ZINC001173195364 906281029 /nfs/dbraw/zinc/28/10/29/906281029.db2.gz OCOBDVUPMVJLFH-SNCIUUNGSA-N 1 0 378.516 3.871 20 30 GHEDRO C=CCOC1CCC(N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CC1 ZINC001173322078 906372521 /nfs/dbraw/zinc/37/25/21/906372521.db2.gz YOMJGKALPGOSIG-KDWIUMRBSA-N 1 0 386.584 3.570 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])C3CCC(CC#N)CC3)nc3ccc(C)cc3n12 ZINC001173330909 906375633 /nfs/dbraw/zinc/37/56/33/906375633.db2.gz WYZIRHHRMNYQRX-UHFFFAOYSA-N 1 0 376.508 3.737 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173331292 906375877 /nfs/dbraw/zinc/37/58/77/906375877.db2.gz NVTGZNTVWGPGOF-UHFFFAOYSA-N 1 0 391.556 3.808 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](C3CCC(CC#N)CC3)CC2)Oc2ccccc21 ZINC001173335357 906379046 /nfs/dbraw/zinc/37/90/46/906379046.db2.gz IXJUWRCUWIOAJY-IOJLRTSASA-N 1 0 395.547 3.996 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1CC[C@@H]([NH2+]CC(C)(C)S)C[C@@H]1C(=O)OC(C)(C)C ZINC001173371490 906403230 /nfs/dbraw/zinc/40/32/30/906403230.db2.gz FWELHBYWWGQYFN-ILXRZTDVSA-N 1 0 387.586 3.753 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)S)C[C@H]1C(=O)OC(C)(C)C ZINC001173371499 906403406 /nfs/dbraw/zinc/40/34/06/906403406.db2.gz FWELHBYWWGQYFN-RBSFLKMASA-N 1 0 387.586 3.753 20 30 GHEDRO COc1cccc([C@H]2CC[N@@H+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)c1 ZINC001173436098 906450789 /nfs/dbraw/zinc/45/07/89/906450789.db2.gz QTKPNVYTYGJGON-NRFANRHFSA-N 1 0 389.499 3.661 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4c3c(F)ccc4F)CC2)cc1 ZINC001173429124 906465107 /nfs/dbraw/zinc/46/51/07/906465107.db2.gz MUKBDKIDQUDYEI-FQEVSTJZSA-N 1 0 381.426 3.718 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H](C)CCCCC(=O)OC)CC2)C1 ZINC001173444538 906484246 /nfs/dbraw/zinc/48/42/46/906484246.db2.gz BLYBCVAJZLRDRX-SFHVURJKSA-N 1 0 380.529 3.609 20 30 GHEDRO CC1(C#N)CCC([N@H+]2CCc3nc(C(=O)N4CCCCC4)sc3CC2)CC1 ZINC001173595105 906548585 /nfs/dbraw/zinc/54/85/85/906548585.db2.gz LHEUPKGJXGQNEJ-UHFFFAOYSA-N 1 0 386.565 3.642 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179749792 906582543 /nfs/dbraw/zinc/58/25/43/906582543.db2.gz BVRWFVPKOLLHFC-UHFFFAOYSA-N 1 0 389.503 3.567 20 30 GHEDRO O=C(C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)c(C(F)(F)F)c1 ZINC001173660956 906595931 /nfs/dbraw/zinc/59/59/31/906595931.db2.gz IZOBOXWIMKBGTM-UHFFFAOYSA-N 1 0 386.311 3.644 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)CC1 ZINC000365923348 921250913 /nfs/dbraw/zinc/25/09/13/921250913.db2.gz TWLHZWNEQOCDCG-BANKROOTSA-N 1 0 382.470 3.739 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[C@H](CC(=O)OCC)C1)CC2 ZINC001173640823 906625687 /nfs/dbraw/zinc/62/56/87/906625687.db2.gz MTJBGBIDRPHZGP-RBUKOAKNSA-N 1 0 392.540 3.609 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001173654669 906640702 /nfs/dbraw/zinc/64/07/02/906640702.db2.gz UXPVMIJJSRPBNX-XPIZARPCSA-N 1 0 395.503 3.816 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)Cc1ccc(C(=O)OC)cc1)[C@H]2CC ZINC001173723344 906672545 /nfs/dbraw/zinc/67/25/45/906672545.db2.gz QICGKEHLDXGPGO-XZOYJPPVSA-N 1 0 398.547 3.826 20 30 GHEDRO COCCOc1cc(C)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180290706 906740173 /nfs/dbraw/zinc/74/01/73/906740173.db2.gz BAKMYMPLFSHVIP-UHFFFAOYSA-N 1 0 390.487 3.582 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000191360677 906911844 /nfs/dbraw/zinc/91/18/44/906911844.db2.gz GGOSHKKPFFCCPY-UGKGYDQZSA-N 1 0 399.498 3.683 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181301819 906968562 /nfs/dbraw/zinc/96/85/62/906968562.db2.gz HZZIAHDOHVVVHN-QGZVFWFLSA-N 1 0 378.476 3.764 20 30 GHEDRO COc1ccc(C2(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)CCOCC2)cc1 ZINC000181570453 907027772 /nfs/dbraw/zinc/02/77/72/907027772.db2.gz KRSSTLWJYOWRQJ-GOSISDBHSA-N 1 0 380.488 3.997 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OCC#N)cc1 ZINC000181571964 907029712 /nfs/dbraw/zinc/02/97/12/907029712.db2.gz YNMGYSMDCVNQGG-IIBYNOLFSA-N 1 0 379.460 3.557 20 30 GHEDRO COc1c(Br)cc(Br)c(Nc2cc[nH+]cc2C)c1C#N ZINC001174539158 907075381 /nfs/dbraw/zinc/07/53/81/907075381.db2.gz VJDHWEQVRLXNHI-UHFFFAOYSA-N 1 0 397.070 3.961 20 30 GHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181996005 907110959 /nfs/dbraw/zinc/11/09/59/907110959.db2.gz KTYHUEXABMMLDB-GOSISDBHSA-N 1 0 375.472 3.908 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3ccc(OC(F)(F)F)cc3C#N)cc2)CC1 ZINC001174817594 907217913 /nfs/dbraw/zinc/21/79/13/907217913.db2.gz TWGPJHBHYPHCPS-UHFFFAOYSA-N 1 0 376.382 3.952 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192093958 907401892 /nfs/dbraw/zinc/40/18/92/907401892.db2.gz PSVPWSQROZXFTP-QUCCMNQESA-N 1 0 387.842 3.799 20 30 GHEDRO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001175419705 907541980 /nfs/dbraw/zinc/54/19/80/907541980.db2.gz XMTJNBYBTAJQGK-HXUWFJFHSA-N 1 0 399.857 3.696 20 30 GHEDRO CN1CC[NH+](C2CCN(c3ccc(Nc4cc(F)cc(C#N)c4)cc3)CC2)CC1 ZINC001175684296 907691974 /nfs/dbraw/zinc/69/19/74/907691974.db2.gz CIBBPSLQAQLTEK-UHFFFAOYSA-N 1 0 393.510 3.657 20 30 GHEDRO CC1(C)[C@@H](c2ccccc2Cl)CC[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001175714074 907698420 /nfs/dbraw/zinc/69/84/20/907698420.db2.gz FJEMDXLZWYIHLO-MRXNPFEDSA-N 1 0 381.867 3.728 20 30 GHEDRO CC1(C)[C@H](c2ccccc2Cl)CC[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001175714072 907698932 /nfs/dbraw/zinc/69/89/32/907698932.db2.gz FJEMDXLZWYIHLO-INIZCTEOSA-N 1 0 381.867 3.728 20 30 GHEDRO CCOC(=O)c1c(C)oc(Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1C#N ZINC001175783342 907745917 /nfs/dbraw/zinc/74/59/17/907745917.db2.gz JKBIAMIMAYCMHY-UHFFFAOYSA-N 1 0 382.464 3.522 20 30 GHEDRO C=CCOC(=O)c1ccc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)c(F)c1 ZINC001175826249 907783493 /nfs/dbraw/zinc/78/34/93/907783493.db2.gz CXYVCVJHDRLTRQ-UHFFFAOYSA-N 1 0 399.466 3.594 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@]2(C)C1 ZINC001175982274 907850651 /nfs/dbraw/zinc/85/06/51/907850651.db2.gz DVBSVCBXJPPNPV-OXJNMPFZSA-N 1 0 375.900 3.900 20 30 GHEDRO C#CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129537 907950571 /nfs/dbraw/zinc/95/05/71/907950571.db2.gz DFFKWVDXUPCITK-UHFFFAOYSA-N 1 0 387.480 3.738 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000186961829 908012460 /nfs/dbraw/zinc/01/24/60/908012460.db2.gz UWRNTBWEGNLXAP-LZLYRXPVSA-O 1 0 398.552 3.858 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)cc1)[n+]1ccc(N(C)C)cc1 ZINC000186969313 908013713 /nfs/dbraw/zinc/01/37/13/908013713.db2.gz ONOMXHVWYIIGOK-UHFFFAOYSA-O 1 0 388.532 3.896 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cccc4cccc2c43)c1 ZINC001176334344 908038900 /nfs/dbraw/zinc/03/89/00/908038900.db2.gz JADAJNDKMDHDQB-OAQYLSRUSA-N 1 0 376.481 3.762 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccccc1CC#N ZINC000777431833 908061915 /nfs/dbraw/zinc/06/19/15/908061915.db2.gz WLSPFDKETSJGKV-QFIPXVFZSA-N 1 0 391.515 3.514 20 30 GHEDRO O=C(c1cccc([N+](=O)[O-])c1)C(C(=S)NCc1cccs1)[n+]1ccccc1 ZINC000193079058 908072304 /nfs/dbraw/zinc/07/23/04/908072304.db2.gz KDPZMNKZAAFHDG-UHFFFAOYSA-O 1 0 398.489 3.672 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CCCCC1 ZINC001176433461 908089540 /nfs/dbraw/zinc/08/95/40/908089540.db2.gz WKPWKSNSARDAGU-UHFFFAOYSA-N 1 0 385.252 3.982 20 30 GHEDRO CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC001176782712 908247129 /nfs/dbraw/zinc/24/71/29/908247129.db2.gz MVHUYCALGPQGRL-MSOLQXFVSA-N 1 0 398.551 3.621 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]CCCc3ccc4c(c3)CCO4)CC2)nc1 ZINC000193306098 908250753 /nfs/dbraw/zinc/25/07/53/908250753.db2.gz OYHBCYPTNFGYRM-UHFFFAOYSA-N 1 0 377.488 3.801 20 30 GHEDRO N#CC(CC[N@@H+]1CC[C@@H](Nc2ncccn2)C1)(c1ccccc1)c1ccccc1 ZINC001176808985 908262420 /nfs/dbraw/zinc/26/24/20/908262420.db2.gz XPSQODZGLCBHQE-JOCHJYFZSA-N 1 0 383.499 3.863 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC001176814201 908264430 /nfs/dbraw/zinc/26/44/30/908264430.db2.gz LKYWYQZTKMZOOT-XMSQKQJNSA-N 1 0 385.508 3.706 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)Cc2cccnc2)c1C#N ZINC001176864917 908280221 /nfs/dbraw/zinc/28/02/21/908280221.db2.gz QKKCBTFHTXVEHO-MRXNPFEDSA-N 1 0 387.487 3.520 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOc1ccc(C#N)cc1)C2 ZINC001176864502 908280235 /nfs/dbraw/zinc/28/02/35/908280235.db2.gz LVKGKKJWSOPQBP-FHWLQOOXSA-N 1 0 385.508 3.705 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C3([C@H]4CCCO4)CCC3)sc2C1 ZINC001176940871 908309979 /nfs/dbraw/zinc/30/99/79/908309979.db2.gz WASPNKZJZMWLBW-RDTXWAMCSA-N 1 0 387.549 3.764 20 30 GHEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001177003424 908358868 /nfs/dbraw/zinc/35/88/68/908358868.db2.gz YMVNAZYYYQWRPX-DLBZAZTESA-N 1 0 380.529 3.511 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(OCC#N)cc1 ZINC000189814900 908378568 /nfs/dbraw/zinc/37/85/68/908378568.db2.gz BUFXBXLIOLVSQF-QVKFZJNVSA-N 1 0 399.441 3.709 20 30 GHEDRO C=CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000190003929 908399432 /nfs/dbraw/zinc/39/94/32/908399432.db2.gz FAQCACWPWPWZIG-HSZRJFAPSA-N 1 0 378.516 3.619 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCO2)C(=S)NC(C)(C)C ZINC000193724693 908659931 /nfs/dbraw/zinc/65/99/31/908659931.db2.gz CKUYMAUJYWECIG-UHFFFAOYSA-O 1 0 383.537 3.798 20 30 GHEDRO N#Cc1ccc(CN(C(=O)Cc2ccc(C3CC3)cn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001177971358 908819352 /nfs/dbraw/zinc/81/93/52/908819352.db2.gz KQSGWXSWSSSYPR-AFARHQOCSA-N 1 0 388.515 3.672 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccccc2OCC#N)cc1 ZINC000194159347 908861786 /nfs/dbraw/zinc/86/17/86/908861786.db2.gz CMBUIGPLVXTZKN-GOSISDBHSA-N 1 0 377.488 3.893 20 30 GHEDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000194364580 908875684 /nfs/dbraw/zinc/87/56/84/908875684.db2.gz ATCMFKQHOFGFGA-QHCPKHFHSA-N 1 0 388.467 3.969 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000194581242 908954845 /nfs/dbraw/zinc/95/48/45/908954845.db2.gz QTJHMUGRUKBTKB-UHFFFAOYSA-N 1 0 395.459 3.554 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)/C=C/c1ccccc1C#N)c1ccccc1O2 ZINC000195005349 908980884 /nfs/dbraw/zinc/98/08/84/908980884.db2.gz CNJOQFHTPRKAAH-ZJVMWOEPSA-N 1 0 387.483 3.676 20 30 GHEDRO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1)c1ccccc1 ZINC001178328711 909018820 /nfs/dbraw/zinc/01/88/20/909018820.db2.gz HAFSDOOGSLNKAQ-RBZQAINGSA-N 1 0 396.494 3.678 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1Br)CC2 ZINC001276025098 921470425 /nfs/dbraw/zinc/47/04/25/921470425.db2.gz KHCATEMNHACALA-MRXNPFEDSA-N 1 0 377.326 3.662 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC4(C3)CCOCC4)sc2C1 ZINC000266653952 909247150 /nfs/dbraw/zinc/24/71/50/909247150.db2.gz ZSHLYPXGFANGKA-HNNXBMFYSA-N 1 0 387.549 3.576 20 30 GHEDRO [NH2+]=C(NCCc1nnc2n1CCCCC2)Nc1cccc(Oc2ccccc2)c1 ZINC000266969833 909353079 /nfs/dbraw/zinc/35/30/79/909353079.db2.gz DOCKXPYWIOZPBO-UHFFFAOYSA-N 1 0 390.491 3.766 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC001179348155 909476102 /nfs/dbraw/zinc/47/61/02/909476102.db2.gz PPWSRXNFEVYFCW-XREXNNHRSA-N 1 0 384.314 3.924 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@](O)(/C=C/OCC)C(F)(F)F)cc1Cl ZINC001179636944 909638529 /nfs/dbraw/zinc/63/85/29/909638529.db2.gz ONGCCWRMTDOMCT-MNDMWVCDSA-N 1 0 379.806 3.838 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000245562735 909741414 /nfs/dbraw/zinc/74/14/14/909741414.db2.gz PGWDWLZGJFHXSU-DNVCBOLYSA-N 1 0 382.439 3.513 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)CC1 ZINC000268371444 909853119 /nfs/dbraw/zinc/85/31/19/909853119.db2.gz GIITWPSGZAVLCI-UHFFFAOYSA-N 1 0 376.570 3.575 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000366379588 921552497 /nfs/dbraw/zinc/55/24/97/921552497.db2.gz MVDOVHBGGBQJPJ-WIYYLYMNSA-N 1 0 376.504 3.811 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638523679 910170185 /nfs/dbraw/zinc/17/01/85/910170185.db2.gz DNHGRGMQNYQKJC-UXHICEINSA-N 1 0 392.385 3.824 20 30 GHEDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000269414123 910256888 /nfs/dbraw/zinc/25/68/88/910256888.db2.gz JVVPPXFGYRPWQB-NRFANRHFSA-N 1 0 379.479 3.972 20 30 GHEDRO COc1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc(OC)c1OC ZINC000269674783 910331353 /nfs/dbraw/zinc/33/13/53/910331353.db2.gz ZUYVSYIQKDTVNN-UHFFFAOYSA-N 1 0 399.369 3.538 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2cccc(C)c2)c(C)s1 ZINC000269696608 910335980 /nfs/dbraw/zinc/33/59/80/910335980.db2.gz KHZXSKMEBNKJPC-MRXNPFEDSA-O 1 0 389.566 3.526 20 30 GHEDRO C=CCOc1c(Cl)cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000639405619 910411621 /nfs/dbraw/zinc/41/16/21/910411621.db2.gz CZRVUJGLUCGCFE-QGZVFWFLSA-N 1 0 383.839 3.760 20 30 GHEDRO N#CCc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000270220580 910484713 /nfs/dbraw/zinc/48/47/13/910484713.db2.gz HJERBUDAFLDNTB-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246784875 910634961 /nfs/dbraw/zinc/63/49/61/910634961.db2.gz MACZKTDFXNSBDC-NHCUHLMSSA-N 1 0 381.451 3.614 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000639875705 910713069 /nfs/dbraw/zinc/71/30/69/910713069.db2.gz RZFFTCIQSFESGX-OAQYLSRUSA-N 1 0 397.544 3.792 20 30 GHEDRO COc1ccc(CC[NH+]2CCC(NC(=O)CC3(C#N)CCCCC3)CC2)cc1 ZINC001181380601 910737070 /nfs/dbraw/zinc/73/70/70/910737070.db2.gz ARYDLJLDHRSBQH-UHFFFAOYSA-N 1 0 383.536 3.682 20 30 GHEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271144095 910794146 /nfs/dbraw/zinc/79/41/46/910794146.db2.gz BTQKAZKCTWEUPN-UHFFFAOYSA-N 1 0 393.535 3.977 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000271193589 910811726 /nfs/dbraw/zinc/81/17/26/910811726.db2.gz CYUPGGOMOMBHCA-IBGZPJMESA-N 1 0 388.309 3.622 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000247012056 910869187 /nfs/dbraw/zinc/86/91/87/910869187.db2.gz XLBQMMVGBAZEHH-NHCUHLMSSA-N 1 0 381.451 3.614 20 30 GHEDRO Cc1ccc(C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccc(C)cc2)cc1 ZINC000271487043 910924706 /nfs/dbraw/zinc/92/47/06/910924706.db2.gz OILBVLAWTFKJRD-STYZJACHSA-N 1 0 389.499 3.703 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000366484094 921645426 /nfs/dbraw/zinc/64/54/26/921645426.db2.gz ZYWLNBRDFGDDEI-APWZRJJASA-N 1 0 385.508 3.857 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(C[NH2+]C2CCCCC2)nn1 ZINC000640927743 911263049 /nfs/dbraw/zinc/26/30/49/911263049.db2.gz BFJUMXGUENBEBJ-INIZCTEOSA-N 1 0 387.553 3.538 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000774483882 911790395 /nfs/dbraw/zinc/79/03/95/911790395.db2.gz QIJXRRUCKVMIOM-DLBZAZTESA-N 1 0 382.483 3.878 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000092784304 911805223 /nfs/dbraw/zinc/80/52/23/911805223.db2.gz JWPJSQJKVIGTIS-WIYYLYMNSA-N 1 0 377.488 3.762 20 30 GHEDRO CC1(NC(=S)C(C(=O)c2ccccc2OC(F)F)[n+]2ccccc2)CC1 ZINC000284406250 911853538 /nfs/dbraw/zinc/85/35/38/911853538.db2.gz NIBJWEOBHRWJOB-UHFFFAOYSA-O 1 0 377.436 3.656 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC2(C)CC2)cc1 ZINC000284447569 911871673 /nfs/dbraw/zinc/87/16/73/911871673.db2.gz PSUZEWNXRXUUAQ-UHFFFAOYSA-O 1 0 375.464 3.896 20 30 GHEDRO C[C@H](C(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC001182792925 912025773 /nfs/dbraw/zinc/02/57/73/912025773.db2.gz IIAAJHPFAFVKMG-KRWDZBQOSA-N 1 0 379.479 3.924 20 30 GHEDRO N#Cc1ccc(CN(C(=O)C(=O)c2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001182899142 912126278 /nfs/dbraw/zinc/12/62/78/912126278.db2.gz KBODBHRTCHWPCO-MXVIHJGJSA-N 1 0 395.890 3.693 20 30 GHEDRO CCCCN1CC[C@]2(CCC[N@H+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014932 912148601 /nfs/dbraw/zinc/14/86/01/912148601.db2.gz QITKOEXUEVNZMI-LJQANCHMSA-N 1 0 394.972 3.860 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)c2)c1 ZINC000093278578 912151600 /nfs/dbraw/zinc/15/16/00/912151600.db2.gz LNMBVCQAGIAECZ-JOCHJYFZSA-N 1 0 389.499 3.724 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc(OCC#N)cc1 ZINC000291160551 915012981 /nfs/dbraw/zinc/01/29/81/915012981.db2.gz ILSTUPXSFMRZNU-IAGOWNOFSA-N 1 0 378.476 3.920 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001187297395 915180827 /nfs/dbraw/zinc/18/08/27/915180827.db2.gz NWXZGRRLWOECBS-KRWDZBQOSA-N 1 0 379.464 3.905 20 30 GHEDRO [NH2+]=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)NC1CCCCC1 ZINC000303882637 915295144 /nfs/dbraw/zinc/29/51/44/915295144.db2.gz LRVLYVYXXIEDIQ-UHFFFAOYSA-N 1 0 388.519 3.730 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OC)c(OC(F)F)c2)cc1Cl ZINC000303883908 915296444 /nfs/dbraw/zinc/29/64/44/915296444.db2.gz IWNONHLNXSTLAR-UHFFFAOYSA-N 1 0 385.798 3.885 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cccnc2OCC(F)(F)F)cc1Cl ZINC000303886260 915298604 /nfs/dbraw/zinc/29/86/04/915298604.db2.gz KEUKNPCOABMDQP-UHFFFAOYSA-N 1 0 388.777 3.612 20 30 GHEDRO CCNC(=O)c1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000303885695 915298648 /nfs/dbraw/zinc/29/86/48/915298648.db2.gz JYAFTXOLEMUCNT-LBPRGKRZSA-N 1 0 393.318 3.909 20 30 GHEDRO CCCC(=O)Nc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc1 ZINC000303890794 915299868 /nfs/dbraw/zinc/29/98/68/915299868.db2.gz MQMLFZXPYGMLGH-UHFFFAOYSA-N 1 0 382.464 3.513 20 30 GHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(Oc3ccccc3)cc2)CC1 ZINC000303894075 915301253 /nfs/dbraw/zinc/30/12/53/915301253.db2.gz OPFUVLXLMBLMEW-UHFFFAOYSA-N 1 0 396.491 3.504 20 30 GHEDRO COc1cc(CNC(=[NH2+])Nc2cccc(C)c2)cc(Br)c1OC ZINC000303986114 915349298 /nfs/dbraw/zinc/34/92/98/915349298.db2.gz UDHMNWGJTQXTAL-UHFFFAOYSA-N 1 0 378.270 3.702 20 30 GHEDRO CCCC[NH+]=C(NCCCNC(=O)c1occc1C)NCc1ccc(C)cc1 ZINC000304286534 915453582 /nfs/dbraw/zinc/45/35/82/915453582.db2.gz LOPZYKIZPWRACA-UHFFFAOYSA-N 1 0 384.524 3.552 20 30 GHEDRO COc1ccccc1SC[C@@H](C)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304475670 915517019 /nfs/dbraw/zinc/51/70/19/915517019.db2.gz GQFXTXFNETZSDN-RDJZCZTQSA-N 1 0 385.533 3.852 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2Br)cc1 ZINC000304720007 915635488 /nfs/dbraw/zinc/63/54/88/915635488.db2.gz OGNHQSDNWFIXMK-GFCCVEGCSA-N 1 0 378.270 3.652 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(N3CC=CC3)cc2)c1 ZINC000304742715 915668638 /nfs/dbraw/zinc/66/86/38/915668638.db2.gz CVGFJFRJFXLRQG-UHFFFAOYSA-N 1 0 380.492 3.787 20 30 GHEDRO CC1CCN(c2ccc(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)cc2)CC1 ZINC000304757441 915672463 /nfs/dbraw/zinc/67/24/63/915672463.db2.gz OWHQRCIUPTZDTM-NRFANRHFSA-N 1 0 378.520 3.851 20 30 GHEDRO C[C@H](NC(=[NH2+])NCc1ccc([S@](C)=O)cc1)c1ccc(Cl)cc1Cl ZINC000304797714 915702092 /nfs/dbraw/zinc/70/20/92/915702092.db2.gz WYAJFXUNDGSZIT-BUBHHJDNSA-N 1 0 384.332 3.896 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2nccn2CCc2ccccc2)cc1Cl ZINC000304813553 915722394 /nfs/dbraw/zinc/72/23/94/915722394.db2.gz PRFPOQJSKDNOSD-UHFFFAOYSA-N 1 0 383.883 3.715 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c(O[C@@H]2CCOC2)c1 ZINC000305011473 915833528 /nfs/dbraw/zinc/83/35/28/915833528.db2.gz DAQVSSGPNJCBMI-LJQANCHMSA-N 1 0 379.504 3.968 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCC2(Cc3ccccc3)CCC2)cc1OC ZINC000305015343 915835712 /nfs/dbraw/zinc/83/57/12/915835712.db2.gz SSQMFMBWQOCANU-UHFFFAOYSA-N 1 0 381.520 3.564 20 30 GHEDRO CCCCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000775160542 915956931 /nfs/dbraw/zinc/95/69/31/915956931.db2.gz HEXAEYZXSKPHOI-MRXNPFEDSA-N 1 0 379.460 3.804 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)c2cccc(CC#N)c2)CC3)cs1 ZINC001188666906 916130870 /nfs/dbraw/zinc/13/08/70/916130870.db2.gz BHHHSUOIDOECJA-UHFFFAOYSA-N 1 0 394.544 3.788 20 30 GHEDRO N#CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)C1=O ZINC001275727367 916445941 /nfs/dbraw/zinc/44/59/41/916445941.db2.gz KIIVIOZDRLCQGT-IBGZPJMESA-N 1 0 394.302 3.638 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001189259118 916521484 /nfs/dbraw/zinc/52/14/84/916521484.db2.gz NPLUDHTVPUXQRE-SFHVURJKSA-N 1 0 395.551 3.555 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(SCC#N)c1 ZINC000361364734 916666561 /nfs/dbraw/zinc/66/65/61/916666561.db2.gz MFMXQMOOIXMUCV-UWJYYQICSA-N 1 0 379.529 3.943 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(N2CCOCC2)cc1 ZINC000775258936 916687944 /nfs/dbraw/zinc/68/79/44/916687944.db2.gz CFTODIUPOOFIQW-INIZCTEOSA-N 1 0 385.895 3.930 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCc1cccc(Br)c1 ZINC001275752733 916891413 /nfs/dbraw/zinc/89/14/13/916891413.db2.gz XTVNRXSHVXFEAH-IBGZPJMESA-N 1 0 377.326 3.635 20 30 GHEDRO CC1(C)CCC[C@@H](Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)O1 ZINC001189779489 916913389 /nfs/dbraw/zinc/91/33/89/916913389.db2.gz FRXGOTXZLUURCO-NRFANRHFSA-N 1 0 391.515 3.626 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650415193 916961337 /nfs/dbraw/zinc/96/13/37/916961337.db2.gz YASBLZWXDDLPQG-XLIONFOSSA-N 1 0 389.565 3.977 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(Br)c(F)c3)CC2)C1=O ZINC001275780971 917227189 /nfs/dbraw/zinc/22/71/89/917227189.db2.gz HWNJTEBUMDEQNX-UHFFFAOYSA-N 1 0 381.289 3.589 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccc(Br)cc1N ZINC001275783163 917239798 /nfs/dbraw/zinc/23/97/98/917239798.db2.gz HGSRONWDXQXRPD-LJQANCHMSA-N 1 0 392.341 3.564 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000362489446 917297231 /nfs/dbraw/zinc/29/72/31/917297231.db2.gz VMFZFXBSQQTCMJ-OAQYLSRUSA-N 1 0 396.535 3.593 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000775398143 917403222 /nfs/dbraw/zinc/40/32/22/917403222.db2.gz FOFQLAPTGLMXKQ-SFHVURJKSA-N 1 0 378.369 3.815 20 30 GHEDRO N#Cc1cccc(C(=O)N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)c1F ZINC001190555151 917407092 /nfs/dbraw/zinc/40/70/92/917407092.db2.gz RLSLEXOBELAURB-UHFFFAOYSA-N 1 0 391.368 3.806 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccccc1 ZINC000775401165 917426818 /nfs/dbraw/zinc/42/68/18/917426818.db2.gz VLZPBQYKOXGZFD-FQEVSTJZSA-N 1 0 392.890 3.878 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000775421768 917646353 /nfs/dbraw/zinc/64/63/53/917646353.db2.gz KIKIJCRCRGJIAX-ZHRRBRCNSA-N 1 0 386.455 3.590 20 30 GHEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1cccc(I)c1 ZINC001191131032 917801512 /nfs/dbraw/zinc/80/15/12/917801512.db2.gz CORROVFTXOPOSE-UHFFFAOYSA-N 1 0 386.277 3.908 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001191375134 917979410 /nfs/dbraw/zinc/97/94/10/917979410.db2.gz NTJVHSHHCYYZMC-FXAWDEMLSA-N 1 0 399.535 3.622 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000363371292 918164228 /nfs/dbraw/zinc/16/42/28/918164228.db2.gz DXTBMYSPUQVHQB-HZPDHXFCSA-N 1 0 395.341 3.739 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000296793737 918750889 /nfs/dbraw/zinc/75/08/89/918750889.db2.gz FIXMYTRYUJJXCY-VDZJLULYSA-N 1 0 379.426 3.640 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000296800858 918760931 /nfs/dbraw/zinc/76/09/31/918760931.db2.gz CPUCBTUNIKXAKF-HRAATJIYSA-N 1 0 384.524 3.610 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(F)c1F ZINC000296985743 918962191 /nfs/dbraw/zinc/96/21/91/918962191.db2.gz HIPKMGFLRQUJHV-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1C#N ZINC000112919368 919347482 /nfs/dbraw/zinc/34/74/82/919347482.db2.gz KIHKULCHRSWENG-UHFFFAOYSA-N 1 0 384.549 3.501 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 ZINC000119099534 919604647 /nfs/dbraw/zinc/60/46/47/919604647.db2.gz KTENHYCMWSXBOT-UHFFFAOYSA-N 1 0 381.476 3.685 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3Cl)C2)C1=O ZINC001275965148 920330968 /nfs/dbraw/zinc/33/09/68/920330968.db2.gz FMKVUOFIYVJTBN-QGZVFWFLSA-N 1 0 383.717 3.713 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3Br)CC2)C1=O ZINC001275966238 920346420 /nfs/dbraw/zinc/34/64/20/920346420.db2.gz SNVAPZWIOGOSSG-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO CC(C)[NH+]1CCN(CCCC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000900631116 920471648 /nfs/dbraw/zinc/47/16/48/920471648.db2.gz VTQVYCSYTNFMHB-SFHVURJKSA-N 1 0 388.581 3.683 20 30 GHEDRO CCCc1c(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000365294193 920614230 /nfs/dbraw/zinc/61/42/30/920614230.db2.gz WJBNAVWMUYXLCR-GOSISDBHSA-N 1 0 394.523 3.644 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000298536209 920643354 /nfs/dbraw/zinc/64/33/54/920643354.db2.gz VOGJCUJKGSEHFI-WBAXXEDZSA-N 1 0 394.441 3.661 20 30 GHEDRO Cc1ccc2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc2n1 ZINC000365395255 920734605 /nfs/dbraw/zinc/73/46/05/920734605.db2.gz NSNDQOMCTDLYIA-UHFFFAOYSA-N 1 0 384.483 3.831 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000298851190 920992084 /nfs/dbraw/zinc/99/20/84/920992084.db2.gz INRYJRSGABSFHI-NRRJATNASA-N 1 0 389.908 3.628 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000802654237 922309926 /nfs/dbraw/zinc/30/99/26/922309926.db2.gz HKCAFAGFNBLZMD-JOCHJYFZSA-N 1 0 390.524 3.866 20 30 GHEDRO CN1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000368060103 922455563 /nfs/dbraw/zinc/45/55/63/922455563.db2.gz UEKUVYFKAWCWLN-RBUKOAKNSA-N 1 0 379.907 3.914 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000902766439 922483514 /nfs/dbraw/zinc/48/35/14/922483514.db2.gz KUPYXQADGWWSOP-IBGZPJMESA-N 1 0 385.533 3.876 20 30 GHEDRO Cc1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)ccc1I ZINC000902979962 922676379 /nfs/dbraw/zinc/67/63/79/922676379.db2.gz WSXPOGVONISXDD-GFCCVEGCSA-N 1 0 377.229 3.717 20 30 GHEDRO COCC[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000368653622 922794430 /nfs/dbraw/zinc/79/44/30/922794430.db2.gz URUSRISAEGNLHK-HNNXBMFYSA-N 1 0 375.538 3.576 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1 ZINC000803318246 922881609 /nfs/dbraw/zinc/88/16/09/922881609.db2.gz RKFYGOYHVKDIIU-WUXMJOGZSA-N 1 0 390.487 3.725 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000803663273 923130525 /nfs/dbraw/zinc/13/05/25/923130525.db2.gz VLBCAVVGVYZADQ-UHFFFAOYSA-N 1 0 399.878 3.963 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000748322498 923574384 /nfs/dbraw/zinc/57/43/84/923574384.db2.gz ZTHQTQRPAQSRCT-UHFFFAOYSA-N 1 0 389.524 3.927 20 30 GHEDRO CO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000369992328 923787711 /nfs/dbraw/zinc/78/77/11/923787711.db2.gz BHCZNWZUYIYOEE-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO CO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000369992326 923787742 /nfs/dbraw/zinc/78/77/42/923787742.db2.gz BHCZNWZUYIYOEE-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H](CNC(=O)c4ccccc4)C3)n2)cc1 ZINC000749023673 923982627 /nfs/dbraw/zinc/98/26/27/923982627.db2.gz SBDYLEBDIPVZKE-HXUWFJFHSA-N 1 0 399.498 3.521 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000370826681 924317280 /nfs/dbraw/zinc/31/72/80/924317280.db2.gz NBMKBINYVGUJEL-YSZBQJHXSA-N 1 0 389.499 3.549 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)cc(OC)c1O ZINC000678214913 924668330 /nfs/dbraw/zinc/66/83/30/924668330.db2.gz KKAZHQFKIDAHKO-UHFFFAOYSA-N 1 0 386.536 3.790 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000409631302 924828730 /nfs/dbraw/zinc/82/87/30/924828730.db2.gz ODYALYLTEVMNBW-IBGZPJMESA-N 1 0 390.478 3.601 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409723660 924913597 /nfs/dbraw/zinc/91/35/97/924913597.db2.gz XWKPICJPQZFSCM-UHFFFAOYSA-N 1 0 384.352 3.818 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000678798686 924927306 /nfs/dbraw/zinc/92/73/06/924927306.db2.gz JQDDGCMPVVXUCF-MOPGFXCFSA-N 1 0 396.453 3.940 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000827221358 925046297 /nfs/dbraw/zinc/04/62/97/925046297.db2.gz DTSBZWMBQFTUJW-HSZRJFAPSA-N 1 0 375.516 3.915 20 30 GHEDRO C#C[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000827236011 925084030 /nfs/dbraw/zinc/08/40/30/925084030.db2.gz VABUONPWTYCXKN-QFIPXVFZSA-N 1 0 376.504 3.704 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3Cl)CC2)C1=O ZINC001276074003 925217680 /nfs/dbraw/zinc/21/76/80/925217680.db2.gz IOAHNAXNFLJIOQ-HXUWFJFHSA-N 1 0 375.900 3.554 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372213675 925251322 /nfs/dbraw/zinc/25/13/22/925251322.db2.gz XQGATSIKCISLGJ-AEFFLSMTSA-N 1 0 387.549 3.625 20 30 GHEDRO N#Cc1csc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1 ZINC000827400600 925439997 /nfs/dbraw/zinc/43/99/97/925439997.db2.gz CFOPTFRQSXCMAZ-HNNXBMFYSA-N 1 0 385.455 3.633 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1=O ZINC000410420285 925634912 /nfs/dbraw/zinc/63/49/12/925634912.db2.gz OOHWSZWTWYVARZ-UWJYYQICSA-N 1 0 377.488 3.719 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000373233875 925955769 /nfs/dbraw/zinc/95/57/69/925955769.db2.gz ZQDFDPVPGKCWEO-MRXNPFEDSA-N 1 0 393.487 3.531 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)ccc(OC)c3Cl)CC2)C1=O ZINC001276381253 926364705 /nfs/dbraw/zinc/36/47/05/926364705.db2.gz GNENIPWVOBGJOG-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)s1 ZINC000827943294 926370218 /nfs/dbraw/zinc/37/02/18/926370218.db2.gz VJZXSKNQIRFYGM-GOEBONIOSA-N 1 0 385.489 3.600 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1F ZINC000411465818 926416235 /nfs/dbraw/zinc/41/62/35/926416235.db2.gz XWYWZTSPEWAATE-LBPRGKRZSA-N 1 0 387.480 3.936 20 30 GHEDRO CC(C)(C)[C@@H]([NH2+]CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)c1ccccc1 ZINC000725766567 926430498 /nfs/dbraw/zinc/43/04/98/926430498.db2.gz MIYDDGYBPNDKDA-CVDCTZTESA-N 1 0 390.487 3.660 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000725850502 926467411 /nfs/dbraw/zinc/46/74/11/926467411.db2.gz BRXKTMDZEFUSTK-SFHVURJKSA-N 1 0 379.504 3.968 20 30 GHEDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000411634717 926580878 /nfs/dbraw/zinc/58/08/78/926580878.db2.gz APTMCFHVUJSJLX-HXUWFJFHSA-N 1 0 397.544 3.786 20 30 GHEDRO C[NH+]1CCC2(CCCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)CC1 ZINC000374098107 926756761 /nfs/dbraw/zinc/75/67/61/926756761.db2.gz BRLVEXCOGYSXEE-UHFFFAOYSA-N 1 0 378.520 3.893 20 30 GHEDRO COc1c(C)cnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c1C ZINC000411805250 926794862 /nfs/dbraw/zinc/79/48/62/926794862.db2.gz ZGTNZHWNTOUCDF-UHFFFAOYSA-N 1 0 398.532 3.590 20 30 GHEDRO CC(=NNCc1ccc(Br)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000726740234 926825185 /nfs/dbraw/zinc/82/51/85/926825185.db2.gz ZEGASMMZBNTBKN-UHFFFAOYSA-N 1 0 390.325 3.903 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)cc(OC)cc3Cl)CC2)C1=O ZINC001276180619 926877897 /nfs/dbraw/zinc/87/78/97/926877897.db2.gz IPPXXXUDYWNMRD-HXUWFJFHSA-N 1 0 395.330 3.840 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccccc1 ZINC000411890631 926892377 /nfs/dbraw/zinc/89/23/77/926892377.db2.gz XZNPYTYHCHGEES-FQEVSTJZSA-N 1 0 382.508 3.693 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccccc1 ZINC000411890126 926893414 /nfs/dbraw/zinc/89/34/14/926893414.db2.gz XZNPYTYHCHGEES-HXUWFJFHSA-N 1 0 382.508 3.693 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C2CCN(C(=O)CC(F)(F)F)CC2)c(O)c1 ZINC000726891545 926909875 /nfs/dbraw/zinc/90/98/75/926909875.db2.gz OYMMPDOLSYKFGO-YDZHTSKRSA-N 1 0 385.430 3.601 20 30 GHEDRO C=CC[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000749202437 926999819 /nfs/dbraw/zinc/99/98/19/926999819.db2.gz OQPVMCNRPVKTPM-DYESRHJHSA-N 1 0 379.508 3.619 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000412074962 927063466 /nfs/dbraw/zinc/06/34/66/927063466.db2.gz RMVPZBAWFISPPU-QGZVFWFLSA-N 1 0 396.491 3.942 20 30 GHEDRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1Cl ZINC000412119831 927115040 /nfs/dbraw/zinc/11/50/40/927115040.db2.gz KHRYGVDBPPAPKW-ZWKOTPCHSA-N 1 0 383.879 3.894 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(CCCc3ccccc3)C2=O)c(O)c1 ZINC000749929279 927354686 /nfs/dbraw/zinc/35/46/86/927354686.db2.gz BBMMKDDLZJDBGK-ZYGWBPEKSA-N 1 0 393.531 3.891 20 30 GHEDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374882899 927649609 /nfs/dbraw/zinc/64/96/09/927649609.db2.gz RDWPTQMARUQJLW-RTBURBONSA-N 1 0 379.529 3.835 20 30 GHEDRO N#CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000374892524 927662153 /nfs/dbraw/zinc/66/21/53/927662153.db2.gz ILTJNXIHLOGZPZ-UHFFFAOYSA-N 1 0 398.850 3.536 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1nnc(C)s1 ZINC000412987429 928075824 /nfs/dbraw/zinc/07/58/24/928075824.db2.gz JQNPXGSLVFAHFK-ZDUSSCGKSA-N 1 0 378.571 3.506 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2N=Nc2nc3ccccc3c(=O)n2C)C1 ZINC000751521920 928233448 /nfs/dbraw/zinc/23/34/48/928233448.db2.gz RYUOLGKQQQPZDS-GQIGUUNPSA-N 1 0 381.524 3.622 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)CC1 ZINC000375383074 928238591 /nfs/dbraw/zinc/23/85/91/928238591.db2.gz YLEQMTUTMRKSOD-UHFFFAOYSA-N 1 0 395.528 3.705 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000751559464 928250773 /nfs/dbraw/zinc/25/07/73/928250773.db2.gz XGDGNMONWLQPTD-AKFKNWHVSA-N 1 0 394.515 3.666 20 30 GHEDRO COc1cc2[nH+]ccc(N3CCO[C@@H](c4cccc(C#N)c4)C3)c2cc1OC ZINC000413215709 928328877 /nfs/dbraw/zinc/32/88/77/928328877.db2.gz PKCBALMUXONPER-JOCHJYFZSA-N 1 0 375.428 3.702 20 30 GHEDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543944758 928593122 /nfs/dbraw/zinc/59/31/22/928593122.db2.gz UZVUHWNJCOKSOD-SFHVURJKSA-N 1 0 394.519 3.506 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CC[C@@H]2CCCO2)c1C#N ZINC000467140908 928748782 /nfs/dbraw/zinc/74/87/82/928748782.db2.gz SYWIWBWDPFPUQE-IBGZPJMESA-N 1 0 386.540 3.921 20 30 GHEDRO CC[C@H](O)[C@@H]1CCCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000467148706 928761434 /nfs/dbraw/zinc/76/14/34/928761434.db2.gz GUQJATZMMVCAKQ-SFTDATJTSA-N 1 0 394.519 3.530 20 30 GHEDRO COCC[C@@H]1CCCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000467275807 928905758 /nfs/dbraw/zinc/90/57/58/928905758.db2.gz UHQMAWCFCBEWOJ-KRWDZBQOSA-N 1 0 377.916 3.725 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](CCCc3cccc(Br)c3)C2)C1=O ZINC001276274445 929120151 /nfs/dbraw/zinc/12/01/51/929120151.db2.gz KNLFGJYXLURVJN-FQEVSTJZSA-N 1 0 391.353 3.882 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)ccc1OCc1cccc(C#N)c1 ZINC000544470866 929216186 /nfs/dbraw/zinc/21/61/86/929216186.db2.gz GQKNDINIEPRPMV-INIZCTEOSA-N 1 0 376.460 3.730 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2noc(CSc3ccc(C#N)cc3)n2)c1 ZINC000544576917 929302845 /nfs/dbraw/zinc/30/28/45/929302845.db2.gz GXADNIABJPHRBR-UHFFFAOYSA-N 1 0 380.473 3.841 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc(Cl)ccc3Cl)CC2)cc1 ZINC000753914391 929590692 /nfs/dbraw/zinc/59/06/92/929590692.db2.gz CWABQZCYHMQIOJ-UHFFFAOYSA-N 1 0 375.303 3.968 20 30 GHEDRO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)C[N@@H+]1C1CC1 ZINC000753959234 929612069 /nfs/dbraw/zinc/61/20/69/929612069.db2.gz GMIQEGFCTGUFHE-OAHLLOKOSA-N 1 0 384.505 3.512 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000469234917 929720256 /nfs/dbraw/zinc/72/02/56/929720256.db2.gz QEFYEFJXENAJJO-FPOVZHCZSA-N 1 0 393.487 3.986 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000469281676 929758842 /nfs/dbraw/zinc/75/88/42/929758842.db2.gz YOYDTASECNWARF-YWZLYKJASA-N 1 0 379.508 3.664 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000469436759 929885094 /nfs/dbraw/zinc/88/50/94/929885094.db2.gz QGGGESNVRLMXNL-QFIPXVFZSA-N 1 0 378.520 3.856 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000469585887 930007234 /nfs/dbraw/zinc/00/72/34/930007234.db2.gz XJCDXLXSTZUKRY-SFHVURJKSA-N 1 0 394.519 3.937 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000759055426 930259501 /nfs/dbraw/zinc/25/95/01/930259501.db2.gz VEWDUWJFHRIZJA-UHFFFAOYSA-O 1 0 387.475 3.984 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(C)c(F)cc1F)[n+]1ccc(CCC)cc1 ZINC000759057999 930260483 /nfs/dbraw/zinc/26/04/83/930260483.db2.gz GMMADPISFJFXAQ-UHFFFAOYSA-O 1 0 387.475 3.947 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000759326304 930342690 /nfs/dbraw/zinc/34/26/90/930342690.db2.gz RVXCHDVBSPVOPO-KRWDZBQOSA-N 1 0 382.485 3.563 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(CC)CC ZINC000759439924 930368597 /nfs/dbraw/zinc/36/85/97/930368597.db2.gz CZJLDURJGXZTMZ-LSTHTHJFSA-N 1 0 392.503 3.797 20 30 GHEDRO CCC(CC)(CNC(=O)[C@H](O)c1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000780938126 930644809 /nfs/dbraw/zinc/64/48/09/930644809.db2.gz KUAOIRPDUOZLJG-LAUBAEHRSA-N 1 0 379.504 3.617 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000780978012 930659682 /nfs/dbraw/zinc/65/96/82/930659682.db2.gz CFVCTFSKWNQQNP-OAQYLSRUSA-N 1 0 389.540 3.701 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000557342927 931358445 /nfs/dbraw/zinc/35/84/45/931358445.db2.gz RMMXAQYRBGTWEK-LPHOPBHVSA-N 1 0 388.920 3.972 20 30 GHEDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924631020 931456122 /nfs/dbraw/zinc/45/61/22/931456122.db2.gz DAHCEDCSIYFZJD-MRXNPFEDSA-N 1 0 389.544 3.560 20 30 GHEDRO N#Cc1c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc2cc(Cl)ccn12 ZINC000557478265 931459870 /nfs/dbraw/zinc/45/98/70/931459870.db2.gz ZJFJDAUDKPSKHO-UHFFFAOYSA-N 1 0 383.858 3.711 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000783533369 931574568 /nfs/dbraw/zinc/57/45/68/931574568.db2.gz YWCJTNZQRSYJRT-LJQANCHMSA-N 1 0 381.900 3.953 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNC(=S)Nc1ccc(OC(C)C)cc1 ZINC000783840237 931686026 /nfs/dbraw/zinc/68/60/26/931686026.db2.gz YJXCHGGATBGUTC-UHFFFAOYSA-N 1 0 394.504 3.683 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000925243290 931715233 /nfs/dbraw/zinc/71/52/33/931715233.db2.gz BTNSXCPZZUETKS-AHRSYUTCSA-N 1 0 399.535 3.554 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c(C)c1OC ZINC000558153625 931861704 /nfs/dbraw/zinc/86/17/04/931861704.db2.gz NNCGPLAVTAUHEE-CYBMUJFWSA-N 1 0 387.505 3.852 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccccc3C#N)C[C@H]21 ZINC000784512540 931920530 /nfs/dbraw/zinc/92/05/30/931920530.db2.gz QUAQCWCQAFADQE-GUDVDZBRSA-N 1 0 385.508 3.562 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1C#N ZINC000784512644 931920560 /nfs/dbraw/zinc/92/05/60/931920560.db2.gz FTSQVFZKCOEMCW-UHOSZYNNSA-N 1 0 385.508 3.692 20 30 GHEDRO CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(C#N)c1O ZINC000925905994 931951265 /nfs/dbraw/zinc/95/12/65/931951265.db2.gz MZBDSTJSWKVSNG-HXUWFJFHSA-N 1 0 379.508 3.752 20 30 GHEDRO C[NH2+]CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C(C)C ZINC000926016219 932001736 /nfs/dbraw/zinc/00/17/36/932001736.db2.gz AETULTFOZNSCKG-UHFFFAOYSA-N 1 0 380.492 3.907 20 30 GHEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1C#N ZINC000558469355 932020093 /nfs/dbraw/zinc/02/00/93/932020093.db2.gz QCKYWGOTPFDUPV-UXHICEINSA-N 1 0 383.879 3.533 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c(C(F)(F)F)c1 ZINC000558491121 932032408 /nfs/dbraw/zinc/03/24/08/932032408.db2.gz XCKGJWDEEUYWFC-UHFFFAOYSA-N 1 0 387.405 3.989 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)CC2 ZINC000558497284 932035242 /nfs/dbraw/zinc/03/52/42/932035242.db2.gz NTMPRVUCMKBOQD-FCHUYYIVSA-N 1 0 381.907 3.862 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796705662 932036580 /nfs/dbraw/zinc/03/65/80/932036580.db2.gz DYTQKINXTYGEJD-OAQYLSRUSA-N 1 0 398.551 3.906 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000796752438 932053657 /nfs/dbraw/zinc/05/36/57/932053657.db2.gz HTFHIJSMLAKRGR-FQEVSTJZSA-N 1 0 389.421 3.567 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1)C1CC1 ZINC000558594258 932094109 /nfs/dbraw/zinc/09/41/09/932094109.db2.gz OCPGBEXISSSJER-UHFFFAOYSA-N 1 0 388.515 3.763 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000797113322 932187731 /nfs/dbraw/zinc/18/77/31/932187731.db2.gz LSRAPWJXNIDBBS-RHSMWYFYSA-N 1 0 392.849 3.732 20 30 GHEDRO COCC1(CC[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000926630142 932253427 /nfs/dbraw/zinc/25/34/27/932253427.db2.gz RVGZFGASJGCRJI-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)n(C)n1 ZINC000926662479 932265731 /nfs/dbraw/zinc/26/57/31/932265731.db2.gz ROFVFRJAOGQMGL-ZJSXRUAMSA-N 1 0 391.563 3.566 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000558896128 932299924 /nfs/dbraw/zinc/29/99/24/932299924.db2.gz MXGLGEUNKWOWTF-QGZVFWFLSA-N 1 0 390.499 3.554 20 30 GHEDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1)c1ccccc1 ZINC000797529629 932321781 /nfs/dbraw/zinc/32/17/81/932321781.db2.gz BAXOBFDDVYIETI-MRXNPFEDSA-N 1 0 383.879 3.727 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798523534 932688291 /nfs/dbraw/zinc/68/82/91/932688291.db2.gz LGDMSDBUTJGCMV-DEOSSOPVSA-N 1 0 391.515 3.744 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C)c(C#N)c2)ccc1OC ZINC000799322412 932949859 /nfs/dbraw/zinc/94/98/59/932949859.db2.gz HXXPIOLZWJCAFQ-UHFFFAOYSA-N 1 0 381.476 3.848 20 30 GHEDRO COc1cc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1C#N ZINC000799337262 932957006 /nfs/dbraw/zinc/95/70/06/932957006.db2.gz VOTZBTCIRIXAOI-UHFFFAOYSA-N 1 0 387.430 3.927 20 30 GHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccc(C)cc1 ZINC000559996547 933004781 /nfs/dbraw/zinc/00/47/81/933004781.db2.gz KETNOOCYXBDAQI-UHFFFAOYSA-N 1 0 399.608 3.948 20 30 GHEDRO Cc1cc(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)ccc1C#N ZINC000560077011 933051533 /nfs/dbraw/zinc/05/15/33/933051533.db2.gz NYMLJIYAJGEFSI-UHFFFAOYSA-N 1 0 382.407 3.579 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000928656595 933053919 /nfs/dbraw/zinc/05/39/19/933053919.db2.gz ZUOOXSFSBYETTL-CQSZACIVSA-N 1 0 387.936 3.583 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000560347097 933213864 /nfs/dbraw/zinc/21/38/64/933213864.db2.gz GUENHNYNPNVDMZ-UHFFFAOYSA-N 1 0 398.511 3.740 20 30 GHEDRO CCOc1ccc(NC(=O)CN2CC[NH+](CCCCC3(C#N)CCC3)CC2)cc1 ZINC000929844960 933665090 /nfs/dbraw/zinc/66/50/90/933665090.db2.gz TXNKXLCGCDOWBL-UHFFFAOYSA-N 1 0 398.551 3.506 20 30 GHEDRO C=CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001116935585 933837112 /nfs/dbraw/zinc/83/71/12/933837112.db2.gz HPXRIPOXKDXDBK-WIYYLYMNSA-N 1 0 393.535 3.593 20 30 GHEDRO C#Cc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001117887164 934059223 /nfs/dbraw/zinc/05/92/23/934059223.db2.gz BRPFBVQYLNSJHV-HSZRJFAPSA-N 1 0 387.527 3.826 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cc(C#N)cn1C ZINC000561546206 934260330 /nfs/dbraw/zinc/26/03/30/934260330.db2.gz RWWOWMJUBWSACT-QFIPXVFZSA-N 1 0 392.547 3.702 20 30 GHEDRO N#CC1CCC(C[NH+]2CCC(N(C(=O)C(F)(F)F)c3cccnc3)CC2)CC1 ZINC000930999548 934330992 /nfs/dbraw/zinc/33/09/92/934330992.db2.gz DSKUQEIUBAHMAM-UHFFFAOYSA-N 1 0 394.441 3.771 20 30 GHEDRO N#CC[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC001119930383 934419381 /nfs/dbraw/zinc/41/93/81/934419381.db2.gz FTEVSTVUCIOKAD-FBVQUNGASA-N 1 0 394.441 3.716 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000931378473 934530644 /nfs/dbraw/zinc/53/06/44/934530644.db2.gz ABVXHPMTBNHZPC-CYBMUJFWSA-N 1 0 379.302 3.516 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000931378688 934530852 /nfs/dbraw/zinc/53/08/52/934530852.db2.gz CRQIEODWEKXDMC-CQSZACIVSA-N 1 0 391.313 3.516 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000561884275 934536046 /nfs/dbraw/zinc/53/60/46/934536046.db2.gz XRHGOOJDZUCHFQ-UHFFFAOYSA-N 1 0 387.480 3.769 20 30 GHEDRO C[C@@H](c1nnc(N(C)Cc2cc(C#N)cs2)n1C)N(C)Cc1ccccc1 ZINC001121418986 934652345 /nfs/dbraw/zinc/65/23/45/934652345.db2.gz KZSNEOMHZFRQGB-HNNXBMFYSA-N 1 0 380.521 3.578 20 30 GHEDRO C=CCn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001121607573 934713572 /nfs/dbraw/zinc/71/35/72/934713572.db2.gz OQLSFVYSVFRIHH-HSZRJFAPSA-N 1 0 397.567 3.645 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC(C)C)C(C)C ZINC001121628497 934719249 /nfs/dbraw/zinc/71/92/49/934719249.db2.gz CTULCZQVFBOINH-LJQANCHMSA-N 1 0 375.561 3.651 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001121630007 934720040 /nfs/dbraw/zinc/72/00/40/934720040.db2.gz YMCYOFXQDLBFCI-IFFAKLHKSA-N 1 0 397.489 3.658 20 30 GHEDRO C=CCn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1C1(OCC)CCC1 ZINC001121693081 934741460 /nfs/dbraw/zinc/74/14/60/934741460.db2.gz GIEOEWDDPWBYRN-UHFFFAOYSA-N 1 0 387.572 3.725 20 30 GHEDRO C=CCn1c(-c2ccc(C)nc2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001121710115 934744655 /nfs/dbraw/zinc/74/46/55/934744655.db2.gz ZIHWTAXLFBWFOD-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001121731381 934749655 /nfs/dbraw/zinc/74/96/55/934749655.db2.gz UBJUWCNVDCYKHZ-QUCCMNQESA-N 1 0 387.572 3.652 20 30 GHEDRO FC1(F)C[C@]2(CCN(CC[N@@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)C2)C1(F)F ZINC000931912373 934762669 /nfs/dbraw/zinc/76/26/69/934762669.db2.gz BMGUHPCZIKIJBX-RYUDHWBXSA-N 1 0 392.334 3.719 20 30 GHEDRO CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001121849169 934778048 /nfs/dbraw/zinc/77/80/48/934778048.db2.gz XKLSMTGCANRZRO-UYAOXDASSA-N 1 0 379.589 3.561 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)CC1 ZINC000562298849 934811541 /nfs/dbraw/zinc/81/15/41/934811541.db2.gz OXRFQSVEWNUZPX-UHFFFAOYSA-N 1 0 380.467 3.528 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1F ZINC000932172372 934840640 /nfs/dbraw/zinc/84/06/40/934840640.db2.gz QNMONMOCHPTNNX-UHFFFAOYSA-N 1 0 395.413 3.736 20 30 GHEDRO C=C(C)Cn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001122442187 934871048 /nfs/dbraw/zinc/87/10/48/934871048.db2.gz YUIKCECJPXFPBG-ICSRJNTNSA-N 1 0 378.524 3.787 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC(C)=NN=C2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001122536867 934892759 /nfs/dbraw/zinc/89/27/59/934892759.db2.gz CUCOCFYKYHQURO-FQEVSTJZSA-N 1 0 397.571 3.633 20 30 GHEDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC001124133560 935347352 /nfs/dbraw/zinc/34/73/52/935347352.db2.gz WMKPEWNSHJDLDO-IBGZPJMESA-N 1 0 395.551 3.931 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c(C#N)c1 ZINC001137701879 935732935 /nfs/dbraw/zinc/73/29/35/935732935.db2.gz CSZCTBPJGDAYQX-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3Br)C2)C1=O ZINC001137718692 935745288 /nfs/dbraw/zinc/74/52/88/935745288.db2.gz UMTVZTBIUIYAOC-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3nc(Cl)c(C#N)s3)CC2)cc1 ZINC000829001652 935752839 /nfs/dbraw/zinc/75/28/39/935752839.db2.gz XOEITRKYLSQWRL-UHFFFAOYSA-N 1 0 389.912 3.703 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001137765642 935778504 /nfs/dbraw/zinc/77/85/04/935778504.db2.gz GDHGNJOWLYPKIO-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(-c3cncnc3)c1)CC2 ZINC001137767264 935779453 /nfs/dbraw/zinc/77/94/53/935779453.db2.gz MBIRNQQDYYROOM-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)cc1 ZINC001137902384 935856489 /nfs/dbraw/zinc/85/64/89/935856489.db2.gz ACNTZPVGGJOBOL-UHFFFAOYSA-N 1 0 388.515 3.818 20 30 GHEDRO C#CC[C@H]1CCC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000829774301 935859188 /nfs/dbraw/zinc/85/91/88/935859188.db2.gz OZTPOALAYKVSTI-IBGZPJMESA-N 1 0 392.503 3.682 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000830401181 935940536 /nfs/dbraw/zinc/94/05/36/935940536.db2.gz GPWVLOXXAYNHEE-UGKGYDQZSA-N 1 0 377.463 3.824 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 ZINC001220725132 1032085189 /nfs/dbraw/zinc/08/51/89/1032085189.db2.gz MTZKGMQQPPPGIK-AXQKFDOWSA-N 1 0 385.511 3.560 20 30 GHEDRO C=CC[C@@]1(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001625932344 1014458106 /nfs/dbraw/zinc/45/81/06/1014458106.db2.gz HVDSNZKNDXSXJU-AVRDEDQJSA-N 1 0 393.572 3.569 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000171137309 1014608621 /nfs/dbraw/zinc/60/86/21/1014608621.db2.gz MQLWBDHWRBYLGO-UHFFFAOYSA-N 1 0 388.515 3.897 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000468238741 1015475860 /nfs/dbraw/zinc/47/58/60/1015475860.db2.gz XHDOQGJTFCGDGI-UHFFFAOYSA-N 1 0 385.870 3.628 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)ccc1OC1CCCC1 ZINC000468892410 1016177866 /nfs/dbraw/zinc/17/78/66/1016177866.db2.gz HBJMSJLFQXYQEJ-HOTGVXAUSA-N 1 0 385.508 3.618 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000468913845 1016209216 /nfs/dbraw/zinc/20/92/16/1016209216.db2.gz IXYWXGOVFDITFR-QVKFZJNVSA-N 1 0 393.462 3.942 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469114052 1016504451 /nfs/dbraw/zinc/50/44/51/1016504451.db2.gz XPKWCBQSDJUPIA-UHFFFAOYSA-N 1 0 389.503 3.544 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000546711180 1016723724 /nfs/dbraw/zinc/72/37/24/1016723724.db2.gz HVJJCUJLBBBVTF-APWZRJJASA-N 1 0 378.476 3.741 20 30 GHEDRO CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000547426426 1016918821 /nfs/dbraw/zinc/91/88/21/1016918821.db2.gz QIEJLGJZFHCMKK-UDTLNKQYSA-N 1 0 382.552 3.908 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470911178 1016923721 /nfs/dbraw/zinc/92/37/21/1016923721.db2.gz QISWQZRPEQWNSV-IBGZPJMESA-N 1 0 381.451 3.707 20 30 GHEDRO C=CCN1C[C@@]2(CC[N@@H+](Cc3cc(CCCCCC)cs3)C2)OCC1=O ZINC001276818631 1032272628 /nfs/dbraw/zinc/27/26/28/1032272628.db2.gz QKHBSGOXSITCHA-NRFANRHFSA-N 1 0 376.566 3.860 20 30 GHEDRO CC(C)C[C@@](C)(C#N)NC(=O)[C@@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC001221293053 1032363176 /nfs/dbraw/zinc/36/31/76/1032363176.db2.gz YOJGXAUKZYJFHV-OALUTQOASA-N 1 0 392.341 3.558 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155124145 1032423644 /nfs/dbraw/zinc/42/36/44/1032423644.db2.gz SVPNOTAJWOOYSN-GOSISDBHSA-N 1 0 375.835 3.688 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)[NH+](C)C)cc1 ZINC001221540323 1032454871 /nfs/dbraw/zinc/45/48/71/1032454871.db2.gz RNKUZKXMNKQMGB-NRFANRHFSA-N 1 0 376.504 3.848 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3cc(Br)c4ccccc4c3)C2)C1=O ZINC001277235629 1032535359 /nfs/dbraw/zinc/53/53/59/1032535359.db2.gz REULKCOYYQBYKI-NRFANRHFSA-N 1 0 397.316 3.660 20 30 GHEDRO Cc1nc(Cl)nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1C#N ZINC001155628674 1032607630 /nfs/dbraw/zinc/60/76/30/1032607630.db2.gz CKUBQPJRJRQOGD-QFHJOOASSA-N 1 0 383.927 3.710 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001227880368 1032664147 /nfs/dbraw/zinc/66/41/47/1032664147.db2.gz IERXVWZYQPIYRW-SIKLNZKXSA-N 1 0 393.531 3.819 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000558347266 1017173566 /nfs/dbraw/zinc/17/35/66/1017173566.db2.gz ACQCVATVHDJLHR-OAQYLSRUSA-N 1 0 383.540 3.855 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000558347264 1017173734 /nfs/dbraw/zinc/17/37/34/1017173734.db2.gz ACQCVATVHDJLHR-NRFANRHFSA-N 1 0 383.540 3.855 20 30 GHEDRO CCc1ccccc1NC(=O)CN1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929224904 1017644934 /nfs/dbraw/zinc/64/49/34/1017644934.db2.gz DOXIKIKLXPLWMK-UHFFFAOYSA-N 1 0 382.552 3.669 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cc1 ZINC001204300228 1032741293 /nfs/dbraw/zinc/74/12/93/1032741293.db2.gz KTGLIDLDZZTJDO-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)C(C)C)O3)cc1 ZINC001204300553 1032741668 /nfs/dbraw/zinc/74/16/68/1032741668.db2.gz PCILOTVXJOPNKA-JTHBVZDNSA-N 1 0 386.536 3.537 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccc(C)n3)C2)cc1 ZINC001204300803 1032742699 /nfs/dbraw/zinc/74/26/99/1032742699.db2.gz SYUMOLORUHIZHS-QPPBQGQZSA-N 1 0 394.515 3.620 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1 ZINC001204300975 1032743415 /nfs/dbraw/zinc/74/34/15/1032743415.db2.gz YGZINYHFIHWMQU-QHCPKHFHSA-N 1 0 394.515 3.987 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](c1ccccn1)C1CC1)CCCC2 ZINC000932379058 1018246611 /nfs/dbraw/zinc/24/66/11/1018246611.db2.gz GMYIHVBXMWTDNB-FQEVSTJZSA-N 1 0 380.517 3.963 20 30 GHEDRO N#CC1(NC(=O)/C=C/Sc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000778110123 1018588098 /nfs/dbraw/zinc/58/80/98/1018588098.db2.gz HFPSOPPFYXFVKS-LFIBNONCSA-N 1 0 377.513 3.967 20 30 GHEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000562815173 1018674447 /nfs/dbraw/zinc/67/44/47/1018674447.db2.gz TYFHAGIJJXFQDH-UTKZUKDTSA-N 1 0 394.494 3.797 20 30 GHEDRO FC1(F)C[C@@H]1OCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943937 1018774156 /nfs/dbraw/zinc/77/41/56/1018774156.db2.gz LJZPZQYLXJCTID-RNJXMRFFSA-N 1 0 389.233 3.513 20 30 GHEDRO CC1CC[NH+](CCN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000932951074 1018781812 /nfs/dbraw/zinc/78/18/12/1018781812.db2.gz UGPPTKKZCKAZMS-TXEJJXNPSA-N 1 0 394.350 3.821 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OCC)c(OC)c1)C2 ZINC001204358467 1032794525 /nfs/dbraw/zinc/79/45/25/1032794525.db2.gz NBNOKHLPEWGCSF-FGZHOGPDSA-N 1 0 375.509 3.668 20 30 GHEDRO N#Cc1ccccc1CN1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001204367348 1032808870 /nfs/dbraw/zinc/80/88/70/1032808870.db2.gz IAOYCLLAPXWJHM-XZOQPEGZSA-N 1 0 377.488 3.541 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000565133853 1019167019 /nfs/dbraw/zinc/16/70/19/1019167019.db2.gz DPUFPTKSUOTVRH-GGAORHGYSA-N 1 0 398.551 3.968 20 30 GHEDRO N#Cc1ccccc1C[NH+]1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 ZINC001204370743 1032813765 /nfs/dbraw/zinc/81/37/65/1032813765.db2.gz KAKNCTPKOUHFJI-UHFFFAOYSA-N 1 0 377.463 3.855 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cn(C(C)=O)c3ccccc13)C2 ZINC001204409277 1032835391 /nfs/dbraw/zinc/83/53/91/1032835391.db2.gz QNTBJEMOVCECCT-DHIUTWEWSA-N 1 0 382.504 3.875 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](c3ccccc3)C3(CO)CCC3)C2=O)cc1 ZINC000569984067 1019546231 /nfs/dbraw/zinc/54/62/31/1019546231.db2.gz SBKOOHUVWQDJDE-FCHUYYIVSA-N 1 0 389.499 3.547 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000156695435 1019704170 /nfs/dbraw/zinc/70/41/70/1019704170.db2.gz RKSWYVCTJZYWJO-LJQANCHMSA-N 1 0 383.410 3.597 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000576350762 1020007684 /nfs/dbraw/zinc/00/76/84/1020007684.db2.gz NIBVXBPBHCJRGP-AWEZNQCLSA-N 1 0 396.344 3.991 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000047521193 1020033681 /nfs/dbraw/zinc/03/36/81/1020033681.db2.gz NXUPOARTERFECF-UHFFFAOYSA-N 1 0 396.413 3.591 20 30 GHEDRO CN1CCO[C@H]([C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccc(Cl)cc2)C1 ZINC000577328052 1020169992 /nfs/dbraw/zinc/16/99/92/1020169992.db2.gz SDKAXPOQTUAMDU-FKBYEOEOSA-N 1 0 381.907 3.860 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccccc2CC#N)[NH+]2CCCCC2)cc1 ZINC000600941771 1020282036 /nfs/dbraw/zinc/28/20/36/1020282036.db2.gz JCROBVQMBKIYHA-QFIPXVFZSA-N 1 0 377.488 3.718 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3F)CC2)nc1 ZINC001204473130 1032911456 /nfs/dbraw/zinc/91/14/56/1032911456.db2.gz VLXVLQGWPCKESH-UHFFFAOYSA-N 1 0 378.373 3.823 20 30 GHEDRO N#Cc1cc(C(F)(F)n2ccc3cc(N4CC[NH2+]CC4)ccc32)cnc1Cl ZINC001156206457 1032922222 /nfs/dbraw/zinc/92/22/22/1032922222.db2.gz JLBIOPSVCCNAFO-UHFFFAOYSA-N 1 0 387.821 3.569 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000779356839 1020740847 /nfs/dbraw/zinc/74/08/47/1020740847.db2.gz IOVVHMFEPPMJDI-ICSRJNTNSA-N 1 0 394.544 3.912 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192039475 1020842833 /nfs/dbraw/zinc/84/28/33/1020842833.db2.gz IDDFUHHRHLDZEW-VQIMIIECSA-N 1 0 390.270 3.923 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)c(C#N)cc3Cl)CC2)cc1 ZINC001156263098 1032948835 /nfs/dbraw/zinc/94/88/35/1032948835.db2.gz MBJMKBHNXYFLRM-UHFFFAOYSA-N 1 0 399.926 3.548 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1OC ZINC000304750746 1021154479 /nfs/dbraw/zinc/15/44/79/1021154479.db2.gz IQPUSTRALRUYQB-HNNXBMFYSA-N 1 0 386.496 3.839 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c[nH]c3cccc(O)c13)CC2 ZINC001140232151 1021202849 /nfs/dbraw/zinc/20/28/49/1021202849.db2.gz WTCWKDMMYRESIH-UHFFFAOYSA-N 1 0 383.492 3.874 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000834505055 1021230927 /nfs/dbraw/zinc/23/09/27/1021230927.db2.gz HHVYMVMNITWKCI-KBXCAEBGSA-N 1 0 383.517 3.840 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000800289325 1021301977 /nfs/dbraw/zinc/30/19/77/1021301977.db2.gz JAAVRYCIZPYJJH-IBGZPJMESA-N 1 0 389.293 3.955 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)CC2 ZINC001140399286 1021562754 /nfs/dbraw/zinc/56/27/54/1021562754.db2.gz IQGDCQOKXJTOTN-HSZRJFAPSA-N 1 0 394.494 3.816 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)cc1 ZINC000834888129 1021621491 /nfs/dbraw/zinc/62/14/91/1021621491.db2.gz DJOCFAIAQGZOLN-INIZCTEOSA-N 1 0 381.476 3.713 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc3ccc(Cl)cn13)C2 ZINC001140427657 1021677185 /nfs/dbraw/zinc/67/71/85/1021677185.db2.gz DVHORVHCMMSLME-UYAOXDASSA-N 1 0 375.900 3.561 20 30 GHEDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437584 1021706027 /nfs/dbraw/zinc/70/60/27/1021706027.db2.gz LNKZNAKFYWDEAU-WBVHZDCISA-N 1 0 383.492 3.889 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[NH+](C3CCC3)CC2)c2cc(C#N)ccc21 ZINC001140438146 1021707682 /nfs/dbraw/zinc/70/76/82/1021707682.db2.gz ZCIOCMKFLPDABL-UHFFFAOYSA-N 1 0 394.519 3.966 20 30 GHEDRO CC(N=Nc1cc(C(F)(F)F)ccn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000834983516 1021752252 /nfs/dbraw/zinc/75/22/52/1021752252.db2.gz AQKAPASVCIATBH-QGZVFWFLSA-N 1 0 378.398 3.789 20 30 GHEDRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000835062502 1021840176 /nfs/dbraw/zinc/84/01/76/1021840176.db2.gz CGIJTXIMLWGVLX-INIZCTEOSA-N 1 0 399.878 3.680 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3c(c1)ncn3C)CC2 ZINC001140509762 1021895919 /nfs/dbraw/zinc/89/59/19/1021895919.db2.gz ORRFAWDKVSUGLU-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[N@@H+]3CCC[C@H](CC#N)C3)c2)CC1 ZINC001140520644 1021912622 /nfs/dbraw/zinc/91/26/22/1021912622.db2.gz FPXUUVCBGPPXSR-LJQANCHMSA-N 1 0 398.551 3.869 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[N@@H+]3CCC[C@@H](C#N)CC3)c2)CC1 ZINC001140521467 1021913092 /nfs/dbraw/zinc/91/30/92/1021913092.db2.gz QRWGKNHWSOAZFJ-LJQANCHMSA-N 1 0 398.551 3.869 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(Cl)ncc1F)CC2 ZINC001140603498 1022051898 /nfs/dbraw/zinc/05/18/98/1022051898.db2.gz QFNUHNHHVDPLSC-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO Cc1ccc(N2C[C@@]3(CCN(Cc4cc(F)c(C#N)c(F)c4)C3)CC2=O)s1 ZINC001140757722 1022447286 /nfs/dbraw/zinc/44/72/86/1022447286.db2.gz QGYKRDZBCTWXLH-FQEVSTJZSA-N 1 0 387.455 3.835 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1-c1ccccc1 ZINC000754106675 1022486471 /nfs/dbraw/zinc/48/64/71/1022486471.db2.gz SISKZYDVOVTGAR-UZUQRXQVSA-N 1 0 399.498 3.504 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)c1Cl ZINC001140813465 1022610193 /nfs/dbraw/zinc/61/01/93/1022610193.db2.gz JACMUAJSWKZQPH-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(Cl)c1 ZINC001140820878 1022626844 /nfs/dbraw/zinc/62/68/44/1022626844.db2.gz BVWUFOVFMLZZPE-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCc1cc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)c(O)c(OC)c1 ZINC000754726920 1022862375 /nfs/dbraw/zinc/86/23/75/1022862375.db2.gz AYYPJDFARWQXDQ-UHFFFAOYSA-N 1 0 382.504 3.850 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000836544922 1023096190 /nfs/dbraw/zinc/09/61/90/1023096190.db2.gz SNXOSNUTFUEJPS-UHFFFAOYSA-N 1 0 387.527 3.866 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000755984804 1023465075 /nfs/dbraw/zinc/46/50/75/1023465075.db2.gz VETPWTMUFMAEQP-FCHUYYIVSA-N 1 0 377.488 3.865 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C[C@H]1CNC(=O)OC(C)(C)C ZINC001141109068 1023522475 /nfs/dbraw/zinc/52/24/75/1023522475.db2.gz MCBJTWJQEFGVTD-VXGBXAGGSA-N 1 0 398.960 3.838 20 30 GHEDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141111493 1023526089 /nfs/dbraw/zinc/52/60/89/1023526089.db2.gz STRCATPFQOBFQX-CYBMUJFWSA-N 1 0 383.945 3.511 20 30 GHEDRO C#CC[C@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccccc1 ZINC000756920733 1023866658 /nfs/dbraw/zinc/86/66/58/1023866658.db2.gz FSKKMQMIGYEISJ-QFIPXVFZSA-N 1 0 376.504 3.633 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC001156668569 1033171348 /nfs/dbraw/zinc/17/13/48/1033171348.db2.gz ULJOCHLOZVHCMI-UHFFFAOYSA-N 1 0 392.594 3.757 20 30 GHEDRO C#CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000757065405 1023925768 /nfs/dbraw/zinc/92/57/68/1023925768.db2.gz RYZQPIYNLZLLDH-QHCPKHFHSA-N 1 0 386.499 3.540 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1ccc(F)cc1C#N)CC2 ZINC001141163355 1023989742 /nfs/dbraw/zinc/98/97/42/1023989742.db2.gz BGYPQZNURZPGLZ-UHFFFAOYSA-N 1 0 382.483 3.933 20 30 GHEDRO N#Cc1cc(F)ccc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001141165925 1023995574 /nfs/dbraw/zinc/99/55/74/1023995574.db2.gz PPUPDWDMHKMSGV-UPVQGACJSA-N 1 0 397.538 3.658 20 30 GHEDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001138099204 1024075119 /nfs/dbraw/zinc/07/51/19/1024075119.db2.gz NGGLATAQGRQQRY-HSZRJFAPSA-N 1 0 375.472 3.586 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccc5ncccc5c4)C3)CC2=O)c1 ZINC001138109443 1024128260 /nfs/dbraw/zinc/12/82/60/1024128260.db2.gz MQRRPNPIZYDKSB-DEOSSOPVSA-N 1 0 382.467 3.735 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH+](C4CCOCC4)CC3)cc2)cc1 ZINC001141294132 1024426270 /nfs/dbraw/zinc/42/62/70/1024426270.db2.gz WRHWPOAMVBBGNR-UHFFFAOYSA-N 1 0 377.488 3.647 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cc(C(=O)OC)ccc13)C2 ZINC001138263645 1024498365 /nfs/dbraw/zinc/49/83/65/1024498365.db2.gz YDBVZIGOQUCEOA-GGAORHGYSA-N 1 0 398.503 3.528 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1OC ZINC001138344599 1024707046 /nfs/dbraw/zinc/70/70/46/1024707046.db2.gz PCWWVXWXFPWCLK-UHFFFAOYSA-N 1 0 394.515 3.788 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc(CNc3ncccc3C#N)c2)c1 ZINC001141393402 1024856238 /nfs/dbraw/zinc/85/62/38/1024856238.db2.gz FUKGKGJVAKVOAY-UHFFFAOYSA-N 1 0 399.498 3.557 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(C)cc3)C2)C1 ZINC001138446058 1024866097 /nfs/dbraw/zinc/86/60/97/1024866097.db2.gz DXWZOMPKCFMORQ-QHCPKHFHSA-N 1 0 394.519 3.996 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3OC)C2)C1 ZINC001138480187 1024909589 /nfs/dbraw/zinc/90/95/89/1024909589.db2.gz PMMFXTUQERMINJ-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO COc1ccc(-c2ccc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cc2)cc1 ZINC001138517231 1024956748 /nfs/dbraw/zinc/95/67/48/1024956748.db2.gz ZMBJPZGRNICCQI-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC001141427564 1025014593 /nfs/dbraw/zinc/01/45/93/1025014593.db2.gz VTCNXTSUSZWUJJ-OAQYLSRUSA-N 1 0 383.536 3.732 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCc2ccccc2CC1 ZINC000831920457 1025018499 /nfs/dbraw/zinc/01/84/99/1025018499.db2.gz KCQOECMTPBJACG-HXUWFJFHSA-N 1 0 382.467 3.715 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)cc1 ZINC001138558385 1025019652 /nfs/dbraw/zinc/01/96/52/1025019652.db2.gz SXLHCIMAGVUYEK-OAQYLSRUSA-N 1 0 380.532 3.607 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)c1O ZINC001138627442 1025127042 /nfs/dbraw/zinc/12/70/42/1025127042.db2.gz HRAPCDGLSDTVLN-JOCHJYFZSA-N 1 0 397.544 3.510 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)c1O ZINC001138628002 1025128877 /nfs/dbraw/zinc/12/88/77/1025128877.db2.gz QSSLETYKUQUEBL-JOCHJYFZSA-N 1 0 390.527 3.959 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC)c4cccc(OC)c34)C2)C1=O ZINC001138748014 1025290518 /nfs/dbraw/zinc/29/05/18/1025290518.db2.gz GLYZSGCMMPKXNT-XMMPIXPASA-N 1 0 394.515 3.858 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccnc(Cl)c4)C3)C2)c1 ZINC001138820646 1025422641 /nfs/dbraw/zinc/42/26/41/1025422641.db2.gz QIGIOWCRJSPPFC-JOCHJYFZSA-N 1 0 396.922 3.726 20 30 GHEDRO Cc1cnc(NCC2(c3cccnc3)CC[NH2+]CC2)c(C#C[Si](C)(C)C)c1 ZINC001162035908 1025554034 /nfs/dbraw/zinc/55/40/34/1025554034.db2.gz AYYLJKBPUUTXIW-UHFFFAOYSA-N 1 0 378.596 3.747 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2ccc(-c3ccc(N4CCCCC4)cc3)nn2)CC1 ZINC001162230803 1025681526 /nfs/dbraw/zinc/68/15/26/1025681526.db2.gz FABWGJJMSQCFQR-UHFFFAOYSA-N 1 0 376.508 3.534 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 ZINC001139032287 1025803793 /nfs/dbraw/zinc/80/37/93/1025803793.db2.gz JGUTVZRNOADXFB-JOCHJYFZSA-N 1 0 397.544 3.641 20 30 GHEDRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCNc2ccc(C#N)cn2)o1 ZINC001461032623 1069348001 /nfs/dbraw/zinc/34/80/01/1069348001.db2.gz ZYSJUJYLUFVFTB-UHFFFAOYSA-N 1 0 398.470 3.909 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1cccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001163209746 1026088350 /nfs/dbraw/zinc/08/83/50/1026088350.db2.gz WKWQAFPMDUJWSD-POAQFYNOSA-N 1 0 378.476 3.546 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)[C@@H](O)c1ccccc1 ZINC000839604325 1026102739 /nfs/dbraw/zinc/10/27/39/1026102739.db2.gz LZMGHBSBOXJQTG-QVKFZJNVSA-N 1 0 397.544 3.881 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3[nH]c(-c4ccccc4)nc3Cl)C2)C1=O ZINC001139281772 1026133196 /nfs/dbraw/zinc/13/31/96/1026133196.db2.gz ONDKPYMLHKHLQO-NRFANRHFSA-N 1 0 384.911 3.731 20 30 GHEDRO COc1cccc([C@@H](C[NH3+])Nc2ccc(COc3ccc(CC#N)cc3)cn2)c1 ZINC001163314071 1026139074 /nfs/dbraw/zinc/13/90/74/1026139074.db2.gz UJYJGIGFFLCNEW-JOCHJYFZSA-N 1 0 388.471 3.847 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001139295662 1026146886 /nfs/dbraw/zinc/14/68/86/1026146886.db2.gz CGNJXUGMLXMZJK-IBGZPJMESA-N 1 0 397.544 3.624 20 30 GHEDRO N#Cc1c(N[C@@H](c2cccnc2C(F)(F)F)C2CC2)ncc2c1CCC[NH2+]C2 ZINC001163387622 1026173341 /nfs/dbraw/zinc/17/33/41/1026173341.db2.gz HGJUPFSNOJJLDY-QGZVFWFLSA-N 1 0 387.409 3.966 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001163466333 1026205125 /nfs/dbraw/zinc/20/51/25/1026205125.db2.gz OPWMKBLBQCKTBV-UHFFFAOYSA-N 1 0 384.827 3.681 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC[C@]1(O)C(F)(F)F ZINC001139401976 1026273352 /nfs/dbraw/zinc/27/33/52/1026273352.db2.gz JWHKYYXURLQWIS-AUUYWEPGSA-N 1 0 375.394 3.755 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+](C)C[C@H]3c3ccccc3)nn2)cc1 ZINC001163669471 1026274098 /nfs/dbraw/zinc/27/40/98/1026274098.db2.gz RPGFURMYPNWGCF-GMAHTHKFSA-N 1 0 383.499 3.934 20 30 GHEDRO COC(=O)c1cc(OC)c(NC(=N)c2ccc(C(F)(F)F)cc2)cc1OC ZINC001163685804 1026283301 /nfs/dbraw/zinc/28/33/01/1026283301.db2.gz SQSOTTOJQNYTOA-UHFFFAOYSA-N 1 0 382.338 3.546 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)cc1F ZINC001139528263 1026387046 /nfs/dbraw/zinc/38/70/46/1026387046.db2.gz MBKCCRIDSSTMEO-HTZLVSCSSA-N 1 0 397.519 3.576 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC001139679941 1026536240 /nfs/dbraw/zinc/53/62/40/1026536240.db2.gz KCQHWLORCUONSA-UHFFFAOYSA-N 1 0 390.487 3.875 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CCN(Cc3cccc(Cl)c3C#N)C2)C1 ZINC001139687292 1026538949 /nfs/dbraw/zinc/53/89/49/1026538949.db2.gz NJMNQRRZMXGHGN-AWEZNQCLSA-N 1 0 375.900 3.900 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(C)c(C#N)c4)C3)CC2=O)cc1 ZINC001139723869 1026567379 /nfs/dbraw/zinc/56/73/79/1026567379.db2.gz IVMMGGPMDCIDAS-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)cc1C#N ZINC001139725147 1026568565 /nfs/dbraw/zinc/56/85/65/1026568565.db2.gz DZQXSAIQYSMZEA-DNVJHFABSA-N 1 0 377.488 3.600 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165083358 1026594644 /nfs/dbraw/zinc/59/46/44/1026594644.db2.gz HFXKAGOLFSCMOU-SJORKVTESA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165086412 1026596261 /nfs/dbraw/zinc/59/62/61/1026596261.db2.gz OWVHTGGSIHUQIQ-QAPCUYQASA-N 1 0 388.849 3.862 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165088667 1026598968 /nfs/dbraw/zinc/59/89/68/1026598968.db2.gz SBRILKAKFVKFOY-JTHBVZDNSA-N 1 0 381.483 3.726 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2Cc3ccccc3C3(CC[NH2+]CC3)C2)nc1Cl ZINC001165161734 1026640945 /nfs/dbraw/zinc/64/09/45/1026640945.db2.gz PPQHJXOPZJKPHA-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2cccnc2)C2CCC([NH3+])CC2)cnc1Cl ZINC001165197409 1026658561 /nfs/dbraw/zinc/65/85/61/1026658561.db2.gz MZZBWFBZQBHSPT-UHFFFAOYSA-N 1 0 391.853 3.823 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(Cc4cc(F)cc(C#N)c4)CC3)C2)cc1 ZINC001139874527 1026690253 /nfs/dbraw/zinc/69/02/53/1026690253.db2.gz BFGQTIVRNJXPRU-UHFFFAOYSA-N 1 0 393.506 3.873 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cncc4ccccc43)CC2)cc1 ZINC001139899152 1026716693 /nfs/dbraw/zinc/71/66/93/1026716693.db2.gz SPUFWMAGAKCQRF-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO Cc1cccc(N(c2ncc(CC#N)cc2Cl)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165777343 1026834260 /nfs/dbraw/zinc/83/42/60/1026834260.db2.gz RSKZGSJLUWBAQO-RXVVDRJESA-N 1 0 382.895 3.769 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001140071904 1026852915 /nfs/dbraw/zinc/85/29/15/1026852915.db2.gz DIICCSBRYUSKHY-IBGZPJMESA-N 1 0 398.551 3.869 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C2)C1 ZINC001140111044 1026892069 /nfs/dbraw/zinc/89/20/69/1026892069.db2.gz XNHIQDZSPYBDGP-JOCHJYFZSA-N 1 0 378.476 3.650 20 30 GHEDRO CC(C)COC[C@@H]1CN(Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001140112479 1026893752 /nfs/dbraw/zinc/89/37/52/1026893752.db2.gz MEBAIQHMJHPNEY-SFHVURJKSA-N 1 0 377.492 3.545 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c2c1 ZINC001140114121 1026896354 /nfs/dbraw/zinc/89/63/54/1026896354.db2.gz PDNJQADJYCJJSK-OAQYLSRUSA-N 1 0 384.483 3.535 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H]2C1 ZINC001140115154 1026896914 /nfs/dbraw/zinc/89/69/14/1026896914.db2.gz OJZDXAATRKCONH-WMZOPIPTSA-N 1 0 380.492 3.728 20 30 GHEDRO N#Cc1ccc(CN2CCN(c3cccc(OC(F)(F)F)c3)CC2)c(F)c1 ZINC001140140232 1026913795 /nfs/dbraw/zinc/91/37/95/1026913795.db2.gz XLDFPZKLDGOOJE-UHFFFAOYSA-N 1 0 379.357 3.918 20 30 GHEDRO N#Cc1ccc(CN2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(F)c1 ZINC001140140185 1026914185 /nfs/dbraw/zinc/91/41/85/1026914185.db2.gz WATWEZVNYHKHIZ-IBGZPJMESA-N 1 0 377.385 3.946 20 30 GHEDRO C=CCn1c(-c2cccc(Cl)c2)nn(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1=S ZINC000840090975 1027171094 /nfs/dbraw/zinc/17/10/94/1027171094.db2.gz WJBKXVMHIJNDHI-GASCZTMLSA-N 1 0 391.972 3.902 20 30 GHEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cn3c(C)nnc3-c3cccc(C#N)c3)C2)c1 ZINC000840147466 1027279901 /nfs/dbraw/zinc/27/99/01/1027279901.db2.gz DSQKKGGWWYAHHZ-MEMLXQNLSA-N 1 0 387.487 3.969 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)[C@H](O)C(F)(F)F ZINC001203352376 1027287216 /nfs/dbraw/zinc/28/72/16/1027287216.db2.gz UUMKOWOWWOLSFP-SWPVVBRQSA-N 1 0 399.253 3.960 20 30 GHEDRO O[C@@H](CC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)F ZINC001203352022 1027288002 /nfs/dbraw/zinc/28/80/02/1027288002.db2.gz MXADGHAWBDLAQH-JQWIXIFHSA-N 1 0 381.263 3.664 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000840179212 1027316924 /nfs/dbraw/zinc/31/69/24/1027316924.db2.gz XWCCHAMZHBVILU-HSZRJFAPSA-N 1 0 379.456 3.739 20 30 GHEDRO COc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001203432479 1027335687 /nfs/dbraw/zinc/33/56/87/1027335687.db2.gz VGTNJYLSTKMVFC-DEOSSOPVSA-N 1 0 391.515 3.686 20 30 GHEDRO COc1cc(Br)c(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)c(OC)c1 ZINC001203447470 1027344871 /nfs/dbraw/zinc/34/48/71/1027344871.db2.gz ORCUTMVFUOAPOM-OAHLLOKOSA-N 1 0 387.277 3.595 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH2+][C@H](Cc4ccccc4)C3)cn2)cc1 ZINC001210311984 1027441803 /nfs/dbraw/zinc/44/18/03/1027441803.db2.gz RLZPVPYTKPCLPN-JOCHJYFZSA-N 1 0 384.483 3.762 20 30 GHEDRO C#Cc1ccc(NC(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001210355389 1027464252 /nfs/dbraw/zinc/46/42/52/1027464252.db2.gz SODGAJSXNPBBET-UHFFFAOYSA-N 1 0 390.531 3.700 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC001203639805 1027499174 /nfs/dbraw/zinc/49/91/74/1027499174.db2.gz KSZHKYINAJLGDY-RTBURBONSA-N 1 0 396.325 3.728 20 30 GHEDRO Cc1ccc(Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)c(C#N)c1 ZINC001210568210 1027560267 /nfs/dbraw/zinc/56/02/67/1027560267.db2.gz FEOSVQSILWIZAI-UHFFFAOYSA-N 1 0 398.466 3.921 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001203760353 1027582479 /nfs/dbraw/zinc/58/24/79/1027582479.db2.gz IGGVTOUAVXSVMX-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000840539638 1027607222 /nfs/dbraw/zinc/60/72/22/1027607222.db2.gz ZVIGXSYTDFCBHU-QHCPKHFHSA-N 1 0 387.483 3.970 20 30 GHEDRO N#Cc1ccc(Br)cc1CN(Cc1cccnc1)C1CCOCC1 ZINC001141903300 1027627554 /nfs/dbraw/zinc/62/75/54/1027627554.db2.gz ZOAPKNOTTIGULM-UHFFFAOYSA-N 1 0 386.293 3.897 20 30 GHEDRO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cc(OC)c1 ZINC001203857639 1027664139 /nfs/dbraw/zinc/66/41/39/1027664139.db2.gz GLEDLUHJLJYWPI-UHFFFAOYSA-N 1 0 382.460 3.627 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1C ZINC001203897605 1027691468 /nfs/dbraw/zinc/69/14/68/1027691468.db2.gz SKRUBWILQBOJIJ-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO CSc1nc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC001141943633 1027721158 /nfs/dbraw/zinc/72/11/58/1027721158.db2.gz DBRYLZZBFJSHMX-PMACEKPBSA-N 1 0 378.545 3.629 20 30 GHEDRO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C(F)(F)F)cc1Cl)CC2 ZINC001276430247 1027738200 /nfs/dbraw/zinc/73/82/00/1027738200.db2.gz HZFSFRLVXAXIFZ-OAHLLOKOSA-N 1 0 384.829 3.710 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3OC(F)(F)F)C2)C1=O ZINC001276430493 1027742944 /nfs/dbraw/zinc/74/29/44/1027742944.db2.gz OJKVQTRSRSQYHI-QGZVFWFLSA-N 1 0 388.817 3.849 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCC(O)(c2ccccc2)CC1)C(C)C ZINC001211221094 1027842292 /nfs/dbraw/zinc/84/22/92/1027842292.db2.gz ARDVVSFXSVARCG-MHIUNMELSA-N 1 0 399.579 3.815 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001142065513 1028010545 /nfs/dbraw/zinc/01/05/45/1028010545.db2.gz NTHNKRAKXADVAD-JKELMNDMSA-N 1 0 386.536 3.900 20 30 GHEDRO N#Cc1ccc(CN(C(=O)CCC(=O)c2cccs2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001142104581 1028108268 /nfs/dbraw/zinc/10/82/68/1028108268.db2.gz JWHKTSQOZQJVMJ-WGSAOQKQSA-N 1 0 395.528 3.881 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)c1 ZINC000841310077 1028403343 /nfs/dbraw/zinc/40/33/43/1028403343.db2.gz DMINOYLLVNXXIO-LJQANCHMSA-N 1 0 396.491 3.807 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccc(OC(F)(F)F)cc1C#N ZINC001213903753 1028442921 /nfs/dbraw/zinc/44/29/21/1028442921.db2.gz BGLUTNGHAKTMIT-UHFFFAOYSA-N 1 0 392.381 3.619 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001461381252 1069526688 /nfs/dbraw/zinc/52/66/88/1069526688.db2.gz QRRKVRBXPYXQQT-UHFFFAOYSA-N 1 0 378.900 3.889 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)ccc1OC ZINC000841396380 1028566267 /nfs/dbraw/zinc/56/62/67/1028566267.db2.gz PUEUJEMRXIMFBH-VQTJNVASSA-N 1 0 395.503 3.685 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 ZINC001214521421 1028774653 /nfs/dbraw/zinc/77/46/53/1028774653.db2.gz OPRWEJWBZOGQPW-UHFFFAOYSA-N 1 0 388.924 3.606 20 30 GHEDRO Cc1ccc(C(=O)/C=C\C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC001142382820 1028794540 /nfs/dbraw/zinc/79/45/40/1028794540.db2.gz RCMPZQHGQFMMBU-SEYXRHQNSA-N 1 0 376.500 3.687 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccc4nn(C)cc43)C2)CC1 ZINC001142445279 1028932250 /nfs/dbraw/zinc/93/22/50/1028932250.db2.gz SJNWJYIWTPSSFN-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3nc(-c4cc(C#N)ccc4F)no3)c(Cl)c2)CC1 ZINC001215530167 1029254884 /nfs/dbraw/zinc/25/48/84/1029254884.db2.gz CLFAKUFWGFXHEC-UHFFFAOYSA-N 1 0 397.841 3.820 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC001216023609 1029498237 /nfs/dbraw/zinc/49/82/37/1029498237.db2.gz SXAAOIHRFJZRBK-QGZVFWFLSA-N 1 0 392.503 3.914 20 30 GHEDRO CNc1cc(Nc2cc(Cl)c(C#N)cc2I)cc[nH+]1 ZINC001216337151 1029608335 /nfs/dbraw/zinc/60/83/35/1029608335.db2.gz NITZZLOYYZDFBC-UHFFFAOYSA-N 1 0 384.608 3.997 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4c[nH]c5cc(C#N)ccc45)CC[N@@H+]3C2)cc1 ZINC001142928923 1029709331 /nfs/dbraw/zinc/70/93/31/1029709331.db2.gz OHODMRZHMSJORC-IFMALSPDSA-N 1 0 386.499 3.686 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@H]21 ZINC001142929731 1029711443 /nfs/dbraw/zinc/71/14/43/1029711443.db2.gz FHSFHJCJNMHHKE-KFKAGJAMSA-N 1 0 380.492 3.775 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c1F ZINC001143170000 1029880644 /nfs/dbraw/zinc/88/06/44/1029880644.db2.gz BJUIZSIEGQQGLI-UHFFFAOYSA-N 1 0 385.389 3.605 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1F ZINC001143171383 1029881903 /nfs/dbraw/zinc/88/19/03/1029881903.db2.gz XVJMXTYKBYNWNJ-HSZRJFAPSA-N 1 0 393.437 3.737 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001461606722 1069637985 /nfs/dbraw/zinc/63/79/85/1069637985.db2.gz ZSXYPJZNQVXUGV-HSZRJFAPSA-N 1 0 390.531 3.607 20 30 GHEDRO N#CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC001150640523 1030598719 /nfs/dbraw/zinc/59/87/19/1030598719.db2.gz ADQCTVQBSCDAJS-JOCHJYFZSA-N 1 0 377.488 3.527 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CCC[NH2+]CC3)c(C#N)c2)nc1C ZINC001217996698 1030712213 /nfs/dbraw/zinc/71/22/13/1030712213.db2.gz KPDNCQRIFGTFPR-MRXNPFEDSA-N 1 0 385.489 3.688 20 30 GHEDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001218023209 1030728220 /nfs/dbraw/zinc/72/82/20/1030728220.db2.gz HNHJVVGYQCWYKI-RNCFNFMXSA-N 1 0 388.103 3.850 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[NH2+]CC[C@H]3C)c(C#N)c2)nc1C ZINC001218031131 1030734512 /nfs/dbraw/zinc/73/45/12/1030734512.db2.gz XJBLJRWASPKWRW-CXAGYDPISA-N 1 0 399.516 3.934 20 30 GHEDRO CCCCC/C=C/C(=O)CCc1ccc(O[C@@H]2C[NH2+]CCOC2)c(OC)c1 ZINC001218047552 1030740638 /nfs/dbraw/zinc/74/06/38/1030740638.db2.gz SQIUEJWASPIMPE-AQKVLALTSA-N 1 0 375.509 3.701 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC001461703627 1069689699 /nfs/dbraw/zinc/68/96/99/1069689699.db2.gz LTMCMAGCISMSDL-QGZVFWFLSA-N 1 0 376.441 3.847 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115490 1030780210 /nfs/dbraw/zinc/78/02/10/1030780210.db2.gz GYBGBIXGFZKFLL-WCOSXBGJSA-N 1 0 391.515 3.841 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c(O)c1 ZINC001218141418 1030793717 /nfs/dbraw/zinc/79/37/17/1030793717.db2.gz HUYXXDMGLDHCHK-MDZRGWNJSA-N 1 0 377.481 3.744 20 30 GHEDRO Cc1ccccc1Nc1nc2sc(C(=O)NCC#CC[NH+](C)C)cc2s1 ZINC001151236427 1030818417 /nfs/dbraw/zinc/81/84/17/1030818417.db2.gz JQRVREJKGAMQBE-UHFFFAOYSA-N 1 0 384.530 3.705 20 30 GHEDRO COc1ccc2c(O[C@@H]3C[NH2+]C[C@H]3C#N)cc(-c3ccc(F)cc3)nc2c1OC ZINC001218199550 1030823190 /nfs/dbraw/zinc/82/31/90/1030823190.db2.gz FWPMGMVMMHUISS-JLTOFOAXSA-N 1 0 393.418 3.548 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 ZINC001218201155 1030824826 /nfs/dbraw/zinc/82/48/26/1030824826.db2.gz PKARGAKBGYXVIV-OQPBUACISA-N 1 0 375.272 3.763 20 30 GHEDRO CC(C)=CCC/C(C)=C/Cc1cc(O[C@H]2C[NH2+]C[C@@H]2C#N)cc2c1OC(=O)C2 ZINC001218204408 1030827787 /nfs/dbraw/zinc/82/77/87/1030827787.db2.gz VYFOPBMCPOEIIJ-NWDJUBIESA-N 1 0 380.488 3.874 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc2c(c1)[C@@H]1CCC[C@@H]1[C@H](c1ccc(O)cc1)O2 ZINC001218203681 1030828307 /nfs/dbraw/zinc/82/83/07/1030828307.db2.gz RWGVCLQECJTKJF-NQIWTANCSA-N 1 0 376.456 3.900 20 30 GHEDRO COc1ccccc1-n1nc(O[C@H]2C[NH2+]C[C@@H]2C#N)cc1-c1ccc(Cl)cc1 ZINC001218205771 1030828955 /nfs/dbraw/zinc/82/89/55/1030828955.db2.gz YVLZWZKMBREYSH-YWZLYKJASA-N 1 0 394.862 3.692 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(C)c(O)c(C)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC001218206683 1030829278 /nfs/dbraw/zinc/82/92/78/1030829278.db2.gz FBCVZMLMLNCARM-OALUTQOASA-N 1 0 395.455 3.718 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)c(CCC(=O)c2ccc(O)cc2)c(OC)c1 ZINC001218210400 1030833059 /nfs/dbraw/zinc/83/30/59/1030833059.db2.gz BKCGYQJJWFSVPA-HSZRJFAPSA-N 1 0 397.471 3.522 20 30 GHEDRO COc1cc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218248423 1030851421 /nfs/dbraw/zinc/85/14/21/1030851421.db2.gz FOYOUPXXHVCJRZ-IKRFFCSLSA-N 1 0 379.456 3.816 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001218250357 1030853818 /nfs/dbraw/zinc/85/38/18/1030853818.db2.gz LYWSDWKCYKHNBB-FBBABVLZSA-N 1 0 391.467 3.918 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218255395 1030858063 /nfs/dbraw/zinc/85/80/63/1030858063.db2.gz HANYBWPLXLNSDE-ZZZAPRPPSA-N 1 0 391.515 3.841 20 30 GHEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001461711453 1069694757 /nfs/dbraw/zinc/69/47/57/1069694757.db2.gz GSIHYQFRZDWEGI-DGCLKSJQSA-N 1 0 378.822 3.993 20 30 GHEDRO C=CCc1c(O[C@H]2CC[NH2+]CC2(C)C)c2cccnc2n(-c2ccccc2)c1=O ZINC001218318515 1030891527 /nfs/dbraw/zinc/89/15/27/1030891527.db2.gz ZKVLQDBMPMKOIB-FQEVSTJZSA-N 1 0 389.499 3.881 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001218401902 1030921039 /nfs/dbraw/zinc/92/10/39/1030921039.db2.gz SHDWBOREAHVUKK-GBUWXYEFSA-N 1 0 383.444 3.522 20 30 GHEDRO COc1cc(O[C@H]2C[NH2+]CCC23CC3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218404597 1030922971 /nfs/dbraw/zinc/92/29/71/1030922971.db2.gz OYCNKZSKBDJVME-DGOUCMFKSA-N 1 0 379.456 3.818 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[C@@H](C)[NH2+]C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218406435 1030924326 /nfs/dbraw/zinc/92/43/26/1030924326.db2.gz JCQUNQHIVCJJBF-OXNLGOCZSA-N 1 0 383.444 3.522 20 30 GHEDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@@H]2C)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218421425 1030932988 /nfs/dbraw/zinc/93/29/88/1030932988.db2.gz WEIMSBFKLXYHOZ-MAVFSWBHSA-N 1 0 381.472 3.988 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(F)c(F)cc1I ZINC001218451096 1030941232 /nfs/dbraw/zinc/94/12/32/1030941232.db2.gz AFVYPIQMWGYVDX-CHWSQXEVSA-N 1 0 379.188 3.645 20 30 GHEDRO COc1cc(O[C@H]2C[NH2+]CCC2(F)F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218456254 1030943710 /nfs/dbraw/zinc/94/37/10/1030943710.db2.gz MPMVGGRXBXVEJX-ZTJJKMQJSA-N 1 0 389.398 3.673 20 30 GHEDRO CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)cc1 ZINC001218658797 1031022174 /nfs/dbraw/zinc/02/21/74/1031022174.db2.gz IKJKHMFQLOIZQL-MRXNPFEDSA-N 1 0 390.409 3.778 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H](OCC[S+](c2ccccc2)c2ccccc2)CO1 ZINC001224637422 1031066690 /nfs/dbraw/zinc/06/66/90/1031066690.db2.gz SSIRZXDBKQBWTH-NQIIRXRSSA-N 1 0 387.521 3.850 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H](c3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001218840651 1031106971 /nfs/dbraw/zinc/10/69/71/1031106971.db2.gz RMOLUPQCIXJEIC-JKSUJKDBSA-N 1 0 389.377 3.789 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224822796 1031139245 /nfs/dbraw/zinc/13/92/45/1031139245.db2.gz DFXJUYKQCRDTDF-HKBOAZHASA-N 1 0 399.535 3.674 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(F)c(C(=O)OC)c1C)C(C)C ZINC001219037101 1031224921 /nfs/dbraw/zinc/22/49/21/1031224921.db2.gz UYRHQXOEFVMKFM-GOSISDBHSA-N 1 0 391.487 3.741 20 30 GHEDRO N#Cc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)n1 ZINC001219254813 1031327992 /nfs/dbraw/zinc/32/79/92/1031327992.db2.gz XCMIHJMOHBFUPM-MRXNPFEDSA-N 1 0 387.846 3.532 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC001219368994 1031383997 /nfs/dbraw/zinc/38/39/97/1031383997.db2.gz VHXWQPRVQJWRNJ-UHFFFAOYSA-N 1 0 379.464 3.660 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)nc1 ZINC001219422763 1031411513 /nfs/dbraw/zinc/41/15/13/1031411513.db2.gz QECOCUDYGLPJTE-INIZCTEOSA-N 1 0 392.409 3.797 20 30 GHEDRO C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225550129 1031473281 /nfs/dbraw/zinc/47/32/81/1031473281.db2.gz OEKRCIRWZHIZBR-OAHLLOKOSA-N 1 0 378.350 3.664 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC001219580477 1031508925 /nfs/dbraw/zinc/50/89/25/1031508925.db2.gz CNTLQOKUCPLEIC-UHFFFAOYSA-N 1 0 376.476 3.826 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2cc(OC)c(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001219581503 1031509411 /nfs/dbraw/zinc/50/94/11/1031509411.db2.gz PMMSAWSRLXPOQH-GOSISDBHSA-N 1 0 396.466 3.834 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)nc1 ZINC001219652705 1031541756 /nfs/dbraw/zinc/54/17/56/1031541756.db2.gz JTTRCEVPSDVIIY-UHFFFAOYSA-N 1 0 383.883 3.640 20 30 GHEDRO Cc1cc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ncc1C#N ZINC001219692218 1031559061 /nfs/dbraw/zinc/55/90/61/1031559061.db2.gz FXMRMZUQDBAZPE-MRXNPFEDSA-N 1 0 391.397 3.705 20 30 GHEDRO Cc1cc(NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ncc1C#N ZINC001219692927 1031560911 /nfs/dbraw/zinc/56/09/11/1031560911.db2.gz XLWVMLGIHOYQNS-DYXWJJEUSA-N 1 0 389.503 3.684 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Nc3cc(CC#N)ccn3)cc2)C1 ZINC001219701638 1031563630 /nfs/dbraw/zinc/56/36/30/1031563630.db2.gz SSKHYYREMCBTBY-HDICACEKSA-N 1 0 391.519 3.947 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001219912073 1031689604 /nfs/dbraw/zinc/68/96/04/1031689604.db2.gz MCCSGTRJRBFVIL-QGZVFWFLSA-N 1 0 382.430 3.679 20 30 GHEDRO C#CCCN(CC(F)(F)F)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001153764298 1031734751 /nfs/dbraw/zinc/73/47/51/1031734751.db2.gz RHUHKEOWNBLOLL-KRWDZBQOSA-N 1 0 380.454 3.744 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001226308624 1031910435 /nfs/dbraw/zinc/91/04/35/1031910435.db2.gz XKVZAARIEBCHMU-RCZSKKKRSA-N 1 0 376.456 3.634 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1C#N ZINC001220615038 1032014043 /nfs/dbraw/zinc/01/40/43/1032014043.db2.gz SYBHMEGMSJHMOK-LJQANCHMSA-N 1 0 388.581 3.836 20 30 GHEDRO Nc1c(F)cccc1C[NH2+]C[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001461836338 1069780071 /nfs/dbraw/zinc/78/00/71/1069780071.db2.gz DHXYWLKVOTZFMM-HNNXBMFYSA-N 1 0 396.306 3.966 20 30 GHEDRO Nc1c(F)cccc1C[NH2+]C[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001461836341 1069779982 /nfs/dbraw/zinc/77/99/82/1069779982.db2.gz DHXYWLKVOTZFMM-OAHLLOKOSA-N 1 0 396.306 3.966 20 30 GHEDRO NC(=NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001220634265 1032033667 /nfs/dbraw/zinc/03/36/67/1032033667.db2.gz KAEYYSJPVUHDEE-UHFFFAOYSA-N 1 0 387.483 3.633 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]([NH3+])CSCc1ccc(C)cc1 ZINC001220663740 1032049883 /nfs/dbraw/zinc/04/98/83/1032049883.db2.gz MPMOGZXOQXZIBP-XLIONFOSSA-N 1 0 384.545 3.998 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@H](O)[C@H]([NH3+])Cc4ccccc4)n3)cc2)cc1 ZINC001205304775 1033349444 /nfs/dbraw/zinc/34/94/44/1033349444.db2.gz SQXAVQQBOOZPQN-YADHBBJMSA-N 1 0 396.450 3.879 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(F)c(C#N)c4)C3)C2=O)c1 ZINC001205473329 1033428549 /nfs/dbraw/zinc/42/85/49/1033428549.db2.gz VHRXOTWUAXKTBO-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccnc2c(C(=O)OC)cccc12 ZINC001205752412 1033558689 /nfs/dbraw/zinc/55/86/89/1033558689.db2.gz KPWSCTKHAGLGGL-UHFFFAOYSA-N 1 0 380.444 3.685 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1 ZINC001157396491 1033567330 /nfs/dbraw/zinc/56/73/30/1033567330.db2.gz GFQWERNBXPDVKQ-UHFFFAOYSA-N 1 0 384.476 3.620 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC001205890625 1033621338 /nfs/dbraw/zinc/62/13/38/1033621338.db2.gz VDXFNEQJIPWVGQ-MKXGPGLRSA-N 1 0 379.342 3.908 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCN(Cc3c(F)cc(Cl)cc3Cl)C2)C1=O ZINC001277420413 1033714130 /nfs/dbraw/zinc/71/41/30/1033714130.db2.gz XMYQHNMVFVIBBT-GOSISDBHSA-N 1 0 384.282 3.861 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C(F)(F)c1cc(Cl)ncc1C#N ZINC001158296660 1034010309 /nfs/dbraw/zinc/01/03/09/1034010309.db2.gz KJZPQDUDCFBMGB-UHFFFAOYSA-N 1 0 390.821 3.977 20 30 GHEDRO COc1cc(N(c2nc(Cl)c(Cl)c(C)c2C#N)C2CC[NH2+]CC2)ccn1 ZINC001158324483 1034022848 /nfs/dbraw/zinc/02/28/48/1034022848.db2.gz BIJTZOLMWCLTBD-UHFFFAOYSA-N 1 0 392.290 3.862 20 30 GHEDRO Cc1cc(Br)cc(CN2CCC[C@]23CCN(CCCC#N)C3=O)c1 ZINC001276509746 1034104086 /nfs/dbraw/zinc/10/40/86/1034104086.db2.gz JIUWFUHVUHMKME-LJQANCHMSA-N 1 0 390.325 3.628 20 30 GHEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001207243412 1034205819 /nfs/dbraw/zinc/20/58/19/1034205819.db2.gz LULYPSLARNMNJL-YWZLYKJASA-N 1 0 381.907 3.706 20 30 GHEDRO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(C)cc(Br)cc1C ZINC001277467034 1034224009 /nfs/dbraw/zinc/22/40/09/1034224009.db2.gz NIFNHVGWJNCBLH-FQEVSTJZSA-N 1 0 389.337 3.656 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCCc3ccc(Br)cc3)C2)C1=O ZINC001207316097 1034264470 /nfs/dbraw/zinc/26/44/70/1034264470.db2.gz NRWPFJBMNIMGCM-HXUWFJFHSA-N 1 0 391.353 3.882 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)cc1CC)CC2 ZINC001277473428 1034302093 /nfs/dbraw/zinc/30/20/93/1034302093.db2.gz AQCCQTJGIALTMJ-GOSISDBHSA-N 1 0 391.353 3.916 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC001207527857 1034431538 /nfs/dbraw/zinc/43/15/38/1034431538.db2.gz UEPSSNDPIFGRIA-HSZRJFAPSA-N 1 0 388.515 3.749 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001159128029 1034439117 /nfs/dbraw/zinc/43/91/17/1034439117.db2.gz JZJNACSQGIWPQJ-UHFFFAOYSA-N 1 0 397.544 3.534 20 30 GHEDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(/N=C/c4ccccc4)cc3)C[C@H]1[N@@H+]2C ZINC001231204221 1034462893 /nfs/dbraw/zinc/46/28/93/1034462893.db2.gz YORLIMINTPPZQN-GIJCLUNISA-N 1 0 378.472 3.983 20 30 GHEDRO N#Cc1cnn(-c2ccc(Cl)cc2)c1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159269144 1034514288 /nfs/dbraw/zinc/51/42/88/1034514288.db2.gz WFQASEXILMVNCT-UHFFFAOYSA-N 1 0 392.894 3.546 20 30 GHEDRO N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159273995 1034518060 /nfs/dbraw/zinc/51/80/60/1034518060.db2.gz AKRFMWBULRSMEQ-UHFFFAOYSA-N 1 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Cc1cnc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)c(C#N)c1 ZINC001159577150 1034676297 /nfs/dbraw/zinc/67/62/97/1034676297.db2.gz IXKZFOOTAFTHAQ-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO COc1c(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cccc1C(F)(F)F ZINC001159748709 1034730943 /nfs/dbraw/zinc/73/09/43/1034730943.db2.gz JMDWDSQSMNHZTD-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C#N)cc1OC)CC2 ZINC001231617108 1034773526 /nfs/dbraw/zinc/77/35/26/1034773526.db2.gz WJYAQHLBUOGTHX-UHFFFAOYSA-N 1 0 383.492 3.567 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001231617211 1034773689 /nfs/dbraw/zinc/77/36/89/1034773689.db2.gz QATJXNKAGCGGND-UHFFFAOYSA-N 1 0 385.508 3.646 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)CC1 ZINC001208175421 1034774147 /nfs/dbraw/zinc/77/41/47/1034774147.db2.gz VTNLFYDSUIQQMW-MQSCRBSSSA-N 1 0 382.552 3.839 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N(C)Cc4ccccn4)C[C@H]32)CC1 ZINC001208177391 1034777751 /nfs/dbraw/zinc/77/77/51/1034777751.db2.gz RGYYLAHYTAKJFO-JMJGKCIBSA-N 1 0 395.547 3.574 20 30 GHEDRO C=CCOc1cccc(CN2Cc3cn(CC4CC4)nc3[C@@H](COCC)C2)c1 ZINC001231622226 1034779951 /nfs/dbraw/zinc/77/99/51/1034779951.db2.gz SYRRJVXMYPHZFM-OAQYLSRUSA-N 1 0 381.520 3.994 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1 ZINC001231622717 1034781454 /nfs/dbraw/zinc/78/14/54/1034781454.db2.gz FOKZRGZJKWMQRK-QFIPXVFZSA-N 1 0 376.500 3.747 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC001208214394 1034805081 /nfs/dbraw/zinc/80/50/81/1034805081.db2.gz JZIDEXXPVPJGMO-WZONZLPQSA-N 1 0 384.520 3.627 20 30 GHEDRO C#Cc1cccc(C[N@@H+](CCOCC)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001231662691 1034817451 /nfs/dbraw/zinc/81/74/51/1034817451.db2.gz FSTXZFGMEYLBJQ-UHFFFAOYSA-N 1 0 386.536 3.906 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001160012257 1034827961 /nfs/dbraw/zinc/82/79/61/1034827961.db2.gz RAWDMNDJKDBBRR-ZDUSSCGKSA-N 1 0 396.878 3.925 20 30 GHEDRO COc1cc(CN2CCC[C@@H](CC#N)C2)c(Br)cc1OC(C)=O ZINC001231689509 1034839042 /nfs/dbraw/zinc/83/90/42/1034839042.db2.gz WFLPTUHSJFSLCO-ZDUSSCGKSA-N 1 0 381.270 3.509 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc1OC(C)=O ZINC001231709974 1034851662 /nfs/dbraw/zinc/85/16/62/1034851662.db2.gz TZHJTXPTOYPXJC-UHFFFAOYSA-N 1 0 378.472 3.947 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(NCc3ccccc3N3CC[NH2+]CC3)nc21 ZINC001160115321 1034867743 /nfs/dbraw/zinc/86/77/43/1034867743.db2.gz FZKDGPKNLSKJLJ-UHFFFAOYSA-N 1 0 375.520 3.589 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001208491873 1034913646 /nfs/dbraw/zinc/91/36/46/1034913646.db2.gz GBZBNWNPEXEUME-UHFFFAOYSA-N 1 0 398.572 3.996 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC001231818414 1034927114 /nfs/dbraw/zinc/92/71/14/1034927114.db2.gz UGFWEMVNPXIKOQ-DHIUTWEWSA-N 1 0 383.536 3.610 20 30 GHEDRO CO[C@@H](C[NH+]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1)c1ccccc1 ZINC001231820602 1034928305 /nfs/dbraw/zinc/92/83/05/1034928305.db2.gz HEUOTWNPHLNWNJ-DEOSSOPVSA-N 1 0 392.547 3.542 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)cc1 ZINC001231820830 1034929270 /nfs/dbraw/zinc/92/92/70/1034929270.db2.gz WQPFOQCSKWKEFA-UHFFFAOYSA-N 1 0 389.503 3.663 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccnc3OCCC)C2)CC1 ZINC001231860421 1034948957 /nfs/dbraw/zinc/94/89/57/1034948957.db2.gz VBAYMUSCITWCHV-UHFFFAOYSA-N 1 0 387.524 3.871 20 30 GHEDRO C[C@@H](C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1)OCc1ccccc1 ZINC001208702877 1034987045 /nfs/dbraw/zinc/98/70/45/1034987045.db2.gz WSPLJVMUVCDROJ-YADARESESA-N 1 0 389.499 3.592 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCc1cccnc1OC(C)C)[C@H]2CC ZINC001208790299 1035024006 /nfs/dbraw/zinc/02/40/06/1035024006.db2.gz DGAFESHVBVKFHW-REWPJTCUSA-N 1 0 385.552 3.833 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(Cl)cnc3F)C[C@@H]2c2ccccc2)C1=O ZINC001231992827 1035028439 /nfs/dbraw/zinc/02/84/39/1035028439.db2.gz IYHWRVPHUSAWCV-KNQAVFIVSA-N 1 0 399.897 3.878 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160746992 1035053589 /nfs/dbraw/zinc/05/35/89/1035053589.db2.gz FTUMYANEUJGMOQ-OLZOCXBDSA-N 1 0 397.788 3.746 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c1 ZINC001208850033 1035057046 /nfs/dbraw/zinc/05/70/46/1035057046.db2.gz UVMCPLQYYWDQCM-BJKOFHAPSA-N 1 0 391.515 3.726 20 30 GHEDRO CN1Cc2ccccc2CC2(CC[NH+](CCCc3ccc(C#N)cc3)CC2)C1=O ZINC001208861818 1035064597 /nfs/dbraw/zinc/06/45/97/1035064597.db2.gz PMHPHJRDCDFHTI-UHFFFAOYSA-N 1 0 387.527 3.788 20 30 GHEDRO Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)s1)C2 ZINC001276596482 1035074565 /nfs/dbraw/zinc/07/45/65/1035074565.db2.gz UOTITAIGSLCOGL-LJQANCHMSA-N 1 0 386.546 3.513 20 30 GHEDRO Cc1nc(CN2CCCC23CC[NH+](CCc2ccc(C#N)cc2)CC3)cs1 ZINC001208922979 1035090012 /nfs/dbraw/zinc/09/00/12/1035090012.db2.gz MTTVJFRCQZMBNJ-UHFFFAOYSA-N 1 0 380.561 3.996 20 30 GHEDRO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208927359 1035092473 /nfs/dbraw/zinc/09/24/73/1035092473.db2.gz YNDWZCLBVBPCCT-QHCPKHFHSA-N 1 0 387.527 3.971 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)cc1Cl ZINC001232114178 1035102329 /nfs/dbraw/zinc/10/23/29/1035102329.db2.gz FBXIHQPRGBDJSR-IBGZPJMESA-N 1 0 379.891 3.850 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001160950522 1035103448 /nfs/dbraw/zinc/10/34/48/1035103448.db2.gz FEEZHRUIMZAGOG-KOSHJBKYSA-N 1 0 398.510 3.920 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160974278 1035109926 /nfs/dbraw/zinc/10/99/26/1035109926.db2.gz YVLYONAKROFCHM-QGZVFWFLSA-N 1 0 389.531 3.561 20 30 GHEDRO C[C@@H]1CC[NH2+]C[C@H]1C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001160994085 1035114360 /nfs/dbraw/zinc/11/43/60/1035114360.db2.gz LIEINMQHEBZJAK-UEVCKROQSA-N 1 0 387.527 3.590 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)C1=O ZINC001276603459 1035127745 /nfs/dbraw/zinc/12/77/45/1035127745.db2.gz ILHFVOMRXQNXPD-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001208972530 1035135530 /nfs/dbraw/zinc/13/55/30/1035135530.db2.gz JAWWMNPWRCPLFG-LJQANCHMSA-N 1 0 379.545 3.951 20 30 GHEDRO C=CCN(CC[NH+]1CCC(Oc2ccccc2OC(C)C)CC1)C(=O)OCC ZINC001209019967 1035152051 /nfs/dbraw/zinc/15/20/51/1035152051.db2.gz AAHPHENDLIORDG-UHFFFAOYSA-N 1 0 390.524 3.962 20 30 GHEDRO COC(=O)CCCCCCCCC[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001209098737 1035172488 /nfs/dbraw/zinc/17/24/88/1035172488.db2.gz UMTJNZZHQSRNLB-UHFFFAOYSA-N 1 0 386.540 3.759 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)[C@@H]2CC ZINC001209136600 1035188723 /nfs/dbraw/zinc/18/87/23/1035188723.db2.gz NMESEOOXBXZXOS-GCJKJVERSA-N 1 0 393.572 3.665 20 30 GHEDRO C=CCN(C(=O)[C@H](c1cc2ccccc2[nH]1)N1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC001161247781 1035192174 /nfs/dbraw/zinc/19/21/74/1035192174.db2.gz JZFKRERIUVVMSL-XXBNENTESA-N 1 0 394.563 3.979 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCc1ccc3c(c1)CCO3)CC2 ZINC001209144461 1035192351 /nfs/dbraw/zinc/19/23/51/1035192351.db2.gz NCUATXLAOHGGTM-UHFFFAOYSA-N 1 0 393.531 3.531 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(C)c(Cl)cc3F)C2)C1=O ZINC001276620567 1035195799 /nfs/dbraw/zinc/19/57/99/1035195799.db2.gz JKEDGSDHUCXRQR-FQEVSTJZSA-N 1 0 378.875 3.705 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001209177897 1035201955 /nfs/dbraw/zinc/20/19/55/1035201955.db2.gz SPFIMCJPVWVOIL-ROUUACIJSA-N 1 0 395.544 3.543 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H]3CC[C@H](c4ccccc4)[NH2+]C3)C2)cc1 ZINC001161325125 1035208943 /nfs/dbraw/zinc/20/89/43/1035208943.db2.gz WZSVSBBYFLVKJF-MDNUFGMLSA-N 1 0 389.499 3.669 20 30 GHEDRO CCOC(=O)CCCCCC[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001209348508 1035248283 /nfs/dbraw/zinc/24/82/83/1035248283.db2.gz MRVSXVRBZBADKV-HSZRJFAPSA-N 1 0 397.519 3.501 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001209439439 1035274416 /nfs/dbraw/zinc/27/44/16/1035274416.db2.gz PVJMHILJTADQIK-HSZRJFAPSA-N 1 0 387.568 3.511 20 30 GHEDRO CCOC(=O)c1cc(C)nc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1C#N ZINC001161820137 1035308309 /nfs/dbraw/zinc/30/83/09/1035308309.db2.gz JFFMKUBXCSKIKA-HXUWFJFHSA-N 1 0 396.466 3.730 20 30 GHEDRO COc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)c2ccccc12 ZINC001248181174 1035609083 /nfs/dbraw/zinc/60/90/83/1035609083.db2.gz RNKMCXIKWWCDAD-KRWDZBQOSA-N 1 0 384.439 3.883 20 30 GHEDRO Cc1cc(-c2noc(C[C@@H]([NH3+])Cc3ccc(Br)cc3)n2)ccc1C#N ZINC001248197896 1035628765 /nfs/dbraw/zinc/62/87/65/1035628765.db2.gz VYIOVLQPNDBKGE-KRWDZBQOSA-N 1 0 397.276 3.792 20 30 GHEDRO C[NH+](C)CCCNC(=O)c1ccc(-c2ccc(C#C[Si](C)(C)C)cn2)cc1 ZINC001241779548 1035696484 /nfs/dbraw/zinc/69/64/84/1035696484.db2.gz YJSFLUYDLWRVIW-UHFFFAOYSA-N 1 0 379.580 3.659 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c(C)cccc1Br)CC2 ZINC001248598626 1035981748 /nfs/dbraw/zinc/98/17/48/1035981748.db2.gz DNLCPCNQGGNYHT-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO N#Cc1cc(-c2ccc(N3CCOCC3)c(Cl)c2)ccc1OC1CC[NH2+]CC1 ZINC001242889317 1035985077 /nfs/dbraw/zinc/98/50/77/1035985077.db2.gz YFZVKWNFHVOWGY-UHFFFAOYSA-N 1 0 397.906 3.846 20 30 GHEDRO N#Cc1ccc(-c2noc(C[C@@H]([NH3+])C(c3ccccc3)c3ccccc3)n2)nc1 ZINC001248627038 1036002797 /nfs/dbraw/zinc/00/27/97/1036002797.db2.gz INQMKEGJOFZORV-LJQANCHMSA-N 1 0 381.439 3.705 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001248749857 1036106143 /nfs/dbraw/zinc/10/61/43/1036106143.db2.gz NYIGVFPSFSWOHZ-RBZQAINGSA-N 1 0 391.515 3.854 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 ZINC001248750609 1036108093 /nfs/dbraw/zinc/10/80/93/1036108093.db2.gz PVWSERILGMCJTQ-QFIPXVFZSA-N 1 0 394.544 3.510 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCN(c2cc(C)nn2-c2ccccc2)CC1 ZINC001248752342 1036110047 /nfs/dbraw/zinc/11/00/47/1036110047.db2.gz IPJDAFIUSUZORY-UHFFFAOYSA-N 1 0 385.515 3.937 20 30 GHEDRO COc1ccc(C#N)cc1NCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462071387 1069978831 /nfs/dbraw/zinc/97/88/31/1069978831.db2.gz OZYORGMVDRPGBT-UHFFFAOYSA-N 1 0 394.475 3.842 20 30 GHEDRO N#Cc1ccc(F)c(-c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)c1 ZINC001244553177 1036542816 /nfs/dbraw/zinc/54/28/16/1036542816.db2.gz VCQVHAFZZIEHDV-MRXNPFEDSA-N 1 0 389.434 3.874 20 30 GHEDRO COCOc1ccc(C(F)(F)F)cc1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001244635080 1036576018 /nfs/dbraw/zinc/57/60/18/1036576018.db2.gz XCPADMBGWUBEBO-UHFFFAOYSA-N 1 0 377.366 3.658 20 30 GHEDRO C[NH+](C)Cc1c[nH]c2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c12 ZINC001245307633 1036868142 /nfs/dbraw/zinc/86/81/42/1036868142.db2.gz FGDWLSIPLKPAAO-UHFFFAOYSA-N 1 0 376.460 3.721 20 30 GHEDRO C[C@H](c1ccc(-c2ccc(OC3CCOCC3)c(C#N)c2)cc1)N1CC[NH2+]CC1 ZINC001245311807 1036872398 /nfs/dbraw/zinc/87/23/98/1036872398.db2.gz PNSSASXCBZJPHE-GOSISDBHSA-N 1 0 391.515 3.749 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[NH+](C3CCCC3)CC2)cc1C(F)(F)F ZINC001245758781 1036989684 /nfs/dbraw/zinc/98/96/84/1036989684.db2.gz VVKATRSICPLITD-UHFFFAOYSA-N 1 0 382.455 3.834 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001245915840 1037055532 /nfs/dbraw/zinc/05/55/32/1037055532.db2.gz RGKPISRKCUGPJO-QFIPXVFZSA-N 1 0 376.529 3.996 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC2(C1)CC[NH2+]C2 ZINC001246023332 1037140874 /nfs/dbraw/zinc/14/08/74/1037140874.db2.gz NABDMWDVNURRON-JOCHJYFZSA-N 1 0 398.632 3.597 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])N[C@H](C)Cc2ccc(Br)cc2)cc1 ZINC001246303080 1037285047 /nfs/dbraw/zinc/28/50/47/1037285047.db2.gz FEXMMHRSNJZXCW-GFCCVEGCSA-N 1 0 375.266 3.572 20 30 GHEDRO COC(=O)c1ccc(C(=[NH2+])N[C@H](C)Cc2cccc(Br)c2)cc1 ZINC001246306089 1037286653 /nfs/dbraw/zinc/28/66/53/1037286653.db2.gz SNUOPLDZUWDHHA-GFCCVEGCSA-N 1 0 375.266 3.572 20 30 GHEDRO C#CCOc1ccc(-c2nc3ccccc3n2CC2CC[NH2+]CC2)cc1OC ZINC001247024512 1037845541 /nfs/dbraw/zinc/84/55/41/1037845541.db2.gz RYWYOKOHFYAXPH-UHFFFAOYSA-N 1 0 375.472 3.724 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc(C[C@@H]3C[NH2+]Cc4cccn4C3)n2)c(C#N)c1 ZINC001247099683 1037916502 /nfs/dbraw/zinc/91/65/02/1037916502.db2.gz QQKDJOYLUPDKTH-OAHLLOKOSA-N 1 0 375.476 3.669 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(OC)c(Cl)cc1OC)CC2 ZINC001232371561 1038146081 /nfs/dbraw/zinc/14/60/81/1038146081.db2.gz BLMLBMPRZWDYGR-OAQYLSRUSA-N 1 0 392.927 3.890 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(OCc3ccccc3)no1)CC2 ZINC001232449565 1038231015 /nfs/dbraw/zinc/23/10/15/1038231015.db2.gz YOMJDMDAWJMAMH-HSZRJFAPSA-N 1 0 395.503 3.787 20 30 GHEDRO N#Cc1ccnc(C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)c1 ZINC001232478507 1038260697 /nfs/dbraw/zinc/26/06/97/1038260697.db2.gz NCOKFKSBUGPVNH-UHFFFAOYSA-N 1 0 386.499 3.634 20 30 GHEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001232606564 1038389099 /nfs/dbraw/zinc/38/90/99/1038389099.db2.gz RHNGTPRNFKYGIN-JOCHJYFZSA-N 1 0 397.881 3.975 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)s1 ZINC001232842692 1038593427 /nfs/dbraw/zinc/59/34/27/1038593427.db2.gz CFNDTCDOJBPJTG-SFTDATJTSA-N 1 0 383.517 3.603 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)s1 ZINC001232842796 1038593537 /nfs/dbraw/zinc/59/35/37/1038593537.db2.gz NOFVYWPBELDKHW-JOCHJYFZSA-N 1 0 379.529 3.677 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C#N)s3)CC2)Oc2ccccc21 ZINC001232843538 1038594752 /nfs/dbraw/zinc/59/47/52/1038594752.db2.gz PIPSUBTUFIMOSB-INIZCTEOSA-N 1 0 395.528 3.657 20 30 GHEDRO Cc1cc(O)cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001232879556 1038652738 /nfs/dbraw/zinc/65/27/38/1038652738.db2.gz BEOFFTPXAMWZIT-DEOSSOPVSA-N 1 0 391.515 3.691 20 30 GHEDRO N#Cc1cc(CN2CCCC[C@@](O)(C(F)(F)F)C2)ccc1Br ZINC001232894335 1038684123 /nfs/dbraw/zinc/68/41/23/1038684123.db2.gz YFCHJJAXTAZDKD-AWEZNQCLSA-N 1 0 377.204 3.600 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)n1 ZINC001232924180 1038712677 /nfs/dbraw/zinc/71/26/77/1038712677.db2.gz SUUDEXCSHCRQKG-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnc(OC)c3ccccc13)C2 ZINC001232948849 1038725881 /nfs/dbraw/zinc/72/58/81/1038725881.db2.gz LEONWCKPBKJNGV-JTHBVZDNSA-N 1 0 382.504 3.817 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cnc(OC)c3ccccc13)CCO2 ZINC001232950556 1038727723 /nfs/dbraw/zinc/72/77/23/1038727723.db2.gz RCGICVFENAXOSD-WMZHIEFXSA-N 1 0 382.504 3.817 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001233081026 1038848316 /nfs/dbraw/zinc/84/83/16/1038848316.db2.gz LFGRWOQMCPGWJA-ZEQRLZLVSA-N 1 0 391.515 3.850 20 30 GHEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096424 1038869758 /nfs/dbraw/zinc/86/97/58/1038869758.db2.gz GBRATYQQWJUQEJ-HNNXBMFYSA-N 1 0 390.503 3.595 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001252125141 1038871682 /nfs/dbraw/zinc/87/16/82/1038871682.db2.gz AXABVFPXFVLCDZ-PKTZIBPZSA-N 1 0 389.584 3.864 20 30 GHEDRO CCCCCCCC[C@@H](O)CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001252125762 1038872663 /nfs/dbraw/zinc/87/26/63/1038872663.db2.gz GLQPHPZVASHEPI-LJQANCHMSA-N 1 0 378.561 3.522 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@H+]1CCc2nc(C(=O)OCC)sc2CC1 ZINC001252127130 1038877825 /nfs/dbraw/zinc/87/78/25/1038877825.db2.gz XETCOLCVXARNPN-MRXNPFEDSA-N 1 0 382.570 3.832 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001252136655 1038887148 /nfs/dbraw/zinc/88/71/48/1038887148.db2.gz SQWQICYTAOSOOF-OALUTQOASA-N 1 0 398.588 3.714 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CCOCCOCCOCc1ccccc1 ZINC001252140485 1038892198 /nfs/dbraw/zinc/89/21/98/1038892198.db2.gz ARZPZUPBOCAOLU-QHCPKHFHSA-N 1 0 395.584 3.938 20 30 GHEDRO C[C@](O)(C[NH2+]CC1CCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252337204 1038946589 /nfs/dbraw/zinc/94/65/89/1038946589.db2.gz NVVCUEINLUNVPO-IBGZPJMESA-N 1 0 397.441 3.827 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(O)c(OCC3CC3)c1)CC2 ZINC001233226587 1038986683 /nfs/dbraw/zinc/98/66/83/1038986683.db2.gz PJGXPSZVTKNHCV-HSZRJFAPSA-N 1 0 384.520 3.714 20 30 GHEDRO C=CCOC[C@@H](O)C[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001252499065 1039006928 /nfs/dbraw/zinc/00/69/28/1039006928.db2.gz VDHRCHWZESGJIQ-LEWJYISDSA-N 1 0 375.896 3.751 20 30 GHEDRO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001252512801 1039012873 /nfs/dbraw/zinc/01/28/73/1039012873.db2.gz BTODTDCBWALIMV-DNQXCXABSA-N 1 0 392.543 3.996 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001252548134 1039028816 /nfs/dbraw/zinc/02/88/16/1039028816.db2.gz AOMRZQVSRLAGEN-WZONZLPQSA-N 1 0 382.548 3.503 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC001252554356 1039030589 /nfs/dbraw/zinc/03/05/89/1039030589.db2.gz FBUPUYGMISGQOI-JOCHJYFZSA-N 1 0 379.529 3.784 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]CC1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583661 1039037772 /nfs/dbraw/zinc/03/77/72/1039037772.db2.gz PPVJJMIUNJSFOA-QFIPXVFZSA-N 1 0 388.552 3.773 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(C[C@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001252599226 1039043402 /nfs/dbraw/zinc/04/34/02/1039043402.db2.gz YVUQXHQVDIVNIV-FPOVZHCZSA-N 1 0 396.575 3.893 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccnc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001252613753 1039048959 /nfs/dbraw/zinc/04/89/59/1039048959.db2.gz AARFBXQGFUNYDX-LJQANCHMSA-N 1 0 389.540 3.613 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(O)c1Cl)CC2 ZINC001233399243 1039238476 /nfs/dbraw/zinc/23/84/76/1039238476.db2.gz PPRODODSJIFKER-FQEVSTJZSA-N 1 0 378.900 3.587 20 30 GHEDRO N#Cc1c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1C(F)(F)F ZINC001252937689 1039278966 /nfs/dbraw/zinc/27/89/66/1039278966.db2.gz KSIDWRCTHDDJBT-LJQANCHMSA-N 1 0 375.394 3.626 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cn3cccc(Cl)c3n1)C2 ZINC001233421174 1039286643 /nfs/dbraw/zinc/28/66/43/1039286643.db2.gz LVWSBUINASFDTM-UYAOXDASSA-N 1 0 375.900 3.561 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC(OCC(=O)N2CCCC2)CC1 ZINC001252983106 1039310512 /nfs/dbraw/zinc/31/05/12/1039310512.db2.gz RDFNGTRSGROVPG-NRFANRHFSA-N 1 0 396.616 3.982 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC(OCC(=O)NC2CC2)CC1 ZINC001252985036 1039312256 /nfs/dbraw/zinc/31/22/56/1039312256.db2.gz LIDUZLRUSHLKRX-FQEVSTJZSA-N 1 0 382.589 3.638 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3O)CC2)c(F)c1 ZINC001233454884 1039346642 /nfs/dbraw/zinc/34/66/42/1039346642.db2.gz NPYHTNSJGNOAAK-UHFFFAOYSA-N 1 0 379.357 3.744 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001253238166 1039494289 /nfs/dbraw/zinc/49/42/89/1039494289.db2.gz AODMDNFAESIJNN-UPVQGACJSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001253238405 1039495168 /nfs/dbraw/zinc/49/51/68/1039495168.db2.gz DRMYRLXESHKNFE-LADGPHEKSA-N 1 0 395.547 3.875 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001253241651 1039498323 /nfs/dbraw/zinc/49/83/23/1039498323.db2.gz YPSREBMVJZWYKC-IAGOWNOFSA-N 1 0 398.345 3.580 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C=C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001253257563 1039506047 /nfs/dbraw/zinc/50/60/47/1039506047.db2.gz YEOLXLCAUZHNQX-FUMNGEBKSA-N 1 0 378.557 3.885 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[N@@H+](CC)C2)c1 ZINC001233702137 1039549942 /nfs/dbraw/zinc/54/99/42/1039549942.db2.gz AEMWMHWMAVRVKP-LJQANCHMSA-N 1 0 379.456 3.872 20 30 GHEDRO CC#C[C@@H](CC(=O)OCC)c1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001233792021 1039621370 /nfs/dbraw/zinc/62/13/70/1039621370.db2.gz RMDRLISBGFRNRF-FUDKSRODSA-N 1 0 399.531 3.769 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253588438 1039711643 /nfs/dbraw/zinc/71/16/43/1039711643.db2.gz VYMCPSLZLCFHEO-HXUWFJFHSA-N 1 0 392.515 3.822 20 30 GHEDRO C=C[C@@H](O)C[NH2+]CC1(Cc2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253605968 1039718206 /nfs/dbraw/zinc/71/82/06/1039718206.db2.gz BPKUWANPALUHCG-LJQANCHMSA-N 1 0 392.515 3.522 20 30 GHEDRO C=C[C@H](O)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(F)(F)F ZINC001253609077 1039719941 /nfs/dbraw/zinc/71/99/41/1039719941.db2.gz PHBOZPAFXSPSLR-ZDUSSCGKSA-N 1 0 376.375 3.569 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001253610162 1039719995 /nfs/dbraw/zinc/71/99/95/1039719995.db2.gz BHHPIVZKTVXMPW-HIFRSBDPSA-N 1 0 397.313 3.772 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C(=O)OC(C)(C)C ZINC001253687271 1039766033 /nfs/dbraw/zinc/76/60/33/1039766033.db2.gz ASFKUBKLHCQNJF-DYESRHJHSA-N 1 0 380.488 3.824 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(OC)cc1Cl ZINC001277830744 1039821954 /nfs/dbraw/zinc/82/19/54/1039821954.db2.gz TUJYAAFCMRKKCB-FQEVSTJZSA-N 1 0 378.900 3.587 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC001253888438 1039882820 /nfs/dbraw/zinc/88/28/20/1039882820.db2.gz UFYWLMIRIPZCAI-APWZRJJASA-N 1 0 389.496 3.832 20 30 GHEDRO C[Si](C)(C)C#Cc1ncccc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254030595 1039964457 /nfs/dbraw/zinc/96/44/57/1039964457.db2.gz YJRPALQYKBJAKO-UHFFFAOYSA-N 1 0 393.607 3.750 20 30 GHEDRO CCOC[C@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)Cc2cnn(C)c21 ZINC001254354951 1040188386 /nfs/dbraw/zinc/18/83/86/1040188386.db2.gz NGARTPGMNGWLDP-FBHNJWQJSA-N 1 0 396.510 3.899 20 30 GHEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001254545078 1040312851 /nfs/dbraw/zinc/31/28/51/1040312851.db2.gz AFQGYSMNCSIQSU-KRWDZBQOSA-N 1 0 378.476 3.652 20 30 GHEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001254543430 1040313183 /nfs/dbraw/zinc/31/31/83/1040313183.db2.gz RIABKDNYABVOCJ-SFHVURJKSA-N 1 0 378.476 3.674 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](C1CCN(c3ccc(F)cc3)CC1)CC2 ZINC001254623404 1040396429 /nfs/dbraw/zinc/39/64/29/1040396429.db2.gz HYXONJLWBPXSJL-UHFFFAOYSA-N 1 0 387.499 3.515 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]c(=S)n2[C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001254639453 1040414102 /nfs/dbraw/zinc/41/41/02/1040414102.db2.gz UUTOMJKMPYKIHK-MAZHCROVSA-N 1 0 388.487 3.962 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)C1 ZINC001254664585 1040426812 /nfs/dbraw/zinc/42/68/12/1040426812.db2.gz IVYJZBKKMMXZMU-MOPGFXCFSA-N 1 0 375.516 3.732 20 30 GHEDRO CN1[C@@H]2C[C@@H](Oc3c(Br)ccc(Cl)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234928166 1040436156 /nfs/dbraw/zinc/43/61/56/1040436156.db2.gz ZZOQZNYIJDQEEY-JSEJZBOZSA-N 1 0 379.081 3.747 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC001235116484 1040608016 /nfs/dbraw/zinc/60/80/16/1040608016.db2.gz FHNCHBRMZMVXEL-ZTFGCOKTSA-N 1 0 381.442 3.799 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=[NH2+])c3ccc4ccccc4n3)C[C@@H]2C1 ZINC001254893607 1040648118 /nfs/dbraw/zinc/64/81/18/1040648118.db2.gz KDQPHIRGOMKNNZ-BJWYYQGGSA-N 1 0 380.492 3.586 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ncc(C#N)cc1C ZINC001278840541 1040778834 /nfs/dbraw/zinc/77/88/34/1040778834.db2.gz GQYZHTLLMWCDIR-UHFFFAOYSA-N 1 0 384.911 3.899 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCN(Cc4ccccc4)C3)CC2)C1 ZINC001255110476 1040793290 /nfs/dbraw/zinc/79/32/90/1040793290.db2.gz JPLPIIYHDDUHJR-JOCHJYFZSA-N 1 0 397.563 3.762 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(C)cnc3F)C[C@@H]2c2ccccc2)C1=O ZINC001235331168 1040802010 /nfs/dbraw/zinc/80/20/10/1040802010.db2.gz DIGVVFAXOMHHDB-OFNKIYASSA-N 1 0 379.479 3.533 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Cc3ccc(C#N)cc3)CC1)C2 ZINC001255209739 1040905751 /nfs/dbraw/zinc/90/57/51/1040905751.db2.gz HTIODPODGCUQTE-KOUNCHBCSA-N 1 0 381.520 3.965 20 30 GHEDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001255216194 1040910382 /nfs/dbraw/zinc/91/03/82/1040910382.db2.gz DRTFRGIZIXFSEI-RCLSDMTESA-N 1 0 383.492 3.553 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCC(F)(F)F)C3)CC2)s1 ZINC001277943970 1040923439 /nfs/dbraw/zinc/92/34/39/1040923439.db2.gz FLZOTZZIDFKCDI-UHFFFAOYSA-N 1 0 385.455 3.777 20 30 GHEDRO C[C@H](CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)s1)CC(F)(F)F ZINC001277944740 1040931948 /nfs/dbraw/zinc/93/19/48/1040931948.db2.gz YQBLWKZAXXBHEB-APHBMKBZSA-N 1 0 385.455 3.774 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCC[C@@H](C(=O)OCC)C3)C2)CC1 ZINC001255357908 1040960003 /nfs/dbraw/zinc/96/00/03/1040960003.db2.gz QUZYJXSIOGSBJJ-MOPGFXCFSA-N 1 0 392.540 3.609 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(Br)co3)CC2)C1=O ZINC001277950590 1040969331 /nfs/dbraw/zinc/96/93/31/1040969331.db2.gz GHQIERFDDQEERH-SFHVURJKSA-N 1 0 381.314 3.823 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255400728 1040986093 /nfs/dbraw/zinc/98/60/93/1040986093.db2.gz NFBZXUQQJNDPMF-VWNXMTODSA-N 1 0 381.564 3.542 20 30 GHEDRO CC(C)(O)C#Cc1ccc(-c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC001255488646 1041086045 /nfs/dbraw/zinc/08/60/45/1041086045.db2.gz ZRJMAHZWUJJLHK-OAQYLSRUSA-N 1 0 387.483 3.849 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)C2 ZINC001235668435 1041121750 /nfs/dbraw/zinc/12/17/50/1041121750.db2.gz WKXZLBAGEHSDET-CRAIPNDOSA-N 1 0 387.398 3.617 20 30 GHEDRO COCCCC/C(=N\OCC[NH2+][C@H](C)COC)c1ccc(C(F)(F)F)cc1 ZINC001255558670 1041131398 /nfs/dbraw/zinc/13/13/98/1041131398.db2.gz RRWAPWFTABRMFV-ZLNYZARCSA-N 1 0 390.446 3.867 20 30 GHEDRO Cc1nc(F)ccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001235814818 1041328458 /nfs/dbraw/zinc/32/84/58/1041328458.db2.gz HNFKSPWOAFCZGZ-HSZRJFAPSA-N 1 0 394.494 3.520 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccnc(OC)c1Cl)CC2 ZINC001235830435 1041351687 /nfs/dbraw/zinc/35/16/87/1041351687.db2.gz NGNGXHJOSMWDQM-UHFFFAOYSA-N 1 0 393.915 3.744 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001255916823 1041400886 /nfs/dbraw/zinc/40/08/86/1041400886.db2.gz COPXWPFWSKPGON-ICSRJNTNSA-N 1 0 385.508 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([NH+]2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC001256295688 1041689048 /nfs/dbraw/zinc/68/90/48/1041689048.db2.gz QJAYALUUWIDCHX-UHFFFAOYSA-N 1 0 385.508 3.801 20 30 GHEDRO COC(=O)c1cccc(CN(Cc2ccc(Cl)c(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001236468072 1041729294 /nfs/dbraw/zinc/72/92/94/1041729294.db2.gz SSSGNJTZUXOWHH-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO N#Cc1ccc(F)c(CN(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1F ZINC001236504381 1041743373 /nfs/dbraw/zinc/74/33/73/1041743373.db2.gz KRQVSNWMZCCYNY-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)C2 ZINC001236767069 1041880282 /nfs/dbraw/zinc/88/02/82/1041880282.db2.gz COGVQNBTDONCHH-OAQYLSRUSA-N 1 0 390.911 3.660 20 30 GHEDRO C=C(C)C[N@@H+](CC)Cc1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2 ZINC001236851971 1041928315 /nfs/dbraw/zinc/92/83/15/1041928315.db2.gz IDNCVYZWTNDQMQ-UHFFFAOYSA-N 1 0 376.497 3.920 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCN(Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236855079 1041929557 /nfs/dbraw/zinc/92/95/57/1041929557.db2.gz KTBIHPSLPKDGDJ-UHFFFAOYSA-N 1 0 394.313 3.810 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc4sccc4nc3Cl)C2)C1=O ZINC001236862542 1041932399 /nfs/dbraw/zinc/93/23/99/1041932399.db2.gz ALJDBPZIPPLVAL-IBGZPJMESA-N 1 0 375.925 3.950 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2c1cccc2C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001236974384 1041974458 /nfs/dbraw/zinc/97/44/58/1041974458.db2.gz KCUSKTLHTUGSQU-SFHVURJKSA-N 1 0 386.517 3.758 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-c4ccccc4F)nc3)CC2)nc1 ZINC001236987583 1041979108 /nfs/dbraw/zinc/97/91/08/1041979108.db2.gz ASGAGIVNGLXOFG-UHFFFAOYSA-N 1 0 387.462 3.867 20 30 GHEDRO C=CC1(CC(=O)N[C@]2(C(=O)OC)CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC001278051287 1042031338 /nfs/dbraw/zinc/03/13/38/1042031338.db2.gz RHASYXBEVHOKDV-XMMPIXPASA-N 1 0 398.547 3.837 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237137180 1042059691 /nfs/dbraw/zinc/05/96/91/1042059691.db2.gz MGZQQZOPCNNQHB-OALUTQOASA-N 1 0 385.426 3.985 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc(OC)c3Cl)C2)C1 ZINC001237185747 1042084017 /nfs/dbraw/zinc/08/40/17/1042084017.db2.gz URIKRJZCKSNPLD-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3NC(=O)C(C)(C)C)C2)C1=O ZINC001237391881 1042186138 /nfs/dbraw/zinc/18/61/38/1042186138.db2.gz DRRYXTXWVPSBIY-QHCPKHFHSA-N 1 0 383.536 3.672 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)ccn1 ZINC001237461720 1042217834 /nfs/dbraw/zinc/21/78/34/1042217834.db2.gz CKTVWWIFXIPKFB-QFIPXVFZSA-N 1 0 386.499 3.529 20 30 GHEDRO CCN(Cc1cc(C#N)c(F)cc1F)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237535692 1042254506 /nfs/dbraw/zinc/25/45/06/1042254506.db2.gz CPHLBPPDGPUQKN-HXUWFJFHSA-N 1 0 385.458 3.559 20 30 GHEDRO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001237749859 1042353014 /nfs/dbraw/zinc/35/30/14/1042353014.db2.gz BARSYFXPAXSCCP-FQEVSTJZSA-N 1 0 394.906 3.587 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]CCNc3ccc(C#N)cn3)CC[C@@H]21 ZINC001462615933 1070414759 /nfs/dbraw/zinc/41/47/59/1070414759.db2.gz UQXCOIZOALKUMJ-QYZOEREBSA-N 1 0 399.539 3.523 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(F)c(Cl)cc4[O-])C3)CC2=O)c1 ZINC001237936042 1042427457 /nfs/dbraw/zinc/42/74/57/1042427457.db2.gz FSSSNFAEGRHCMN-OAQYLSRUSA-N 1 0 399.853 3.685 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)cs1 ZINC001462622431 1070420879 /nfs/dbraw/zinc/42/08/79/1070420879.db2.gz MSPSDTIKVKRXCY-QGZVFWFLSA-N 1 0 377.307 3.866 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)ccc1Cl ZINC001238194910 1042515904 /nfs/dbraw/zinc/51/59/04/1042515904.db2.gz WDNYEHZWOJZGIU-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)ccc1C#N ZINC001238405747 1042586367 /nfs/dbraw/zinc/58/63/67/1042586367.db2.gz IFKKXFUGDWAPBR-JOCHJYFZSA-N 1 0 395.528 3.757 20 30 GHEDRO COc1cc(C[N@H+](C2CC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238414841 1042588930 /nfs/dbraw/zinc/58/89/30/1042588930.db2.gz BNMXCDRMESREAL-LJQANCHMSA-N 1 0 385.508 3.931 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)ncc2-c2ccccc2)C1 ZINC001238599350 1042653054 /nfs/dbraw/zinc/65/30/54/1042653054.db2.gz IWRFSDFJWPMWRW-LJQANCHMSA-N 1 0 381.476 3.634 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cc(F)c(F)cc3OCC)C2)C1 ZINC001238652515 1042670869 /nfs/dbraw/zinc/67/08/69/1042670869.db2.gz QSLGZLSRBJTIOY-OAQYLSRUSA-N 1 0 394.462 3.974 20 30 GHEDRO COc1ccc(-c2ccncc2)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC001238657424 1042673827 /nfs/dbraw/zinc/67/38/27/1042673827.db2.gz UTFNMRKBCKEMHC-UHFFFAOYSA-N 1 0 384.483 3.951 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001238665170 1042676644 /nfs/dbraw/zinc/67/66/44/1042676644.db2.gz DXBLWBDZFXGFKH-UHFFFAOYSA-N 1 0 394.538 3.679 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)ccc1C#N ZINC001238761921 1042718410 /nfs/dbraw/zinc/71/84/10/1042718410.db2.gz IJSZWXORJPGBQV-RBZQAINGSA-N 1 0 391.515 3.854 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)ccc1C#N ZINC001238763267 1042718966 /nfs/dbraw/zinc/71/89/66/1042718966.db2.gz QXBYKVLYPRUZNL-YTFSRNRJSA-N 1 0 377.488 3.717 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)ccc1C#N ZINC001238763328 1042719002 /nfs/dbraw/zinc/71/90/02/1042719002.db2.gz RQCCNQQKUZFLOA-HSZRJFAPSA-N 1 0 387.527 3.959 20 30 GHEDRO CCc1cc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)ccc1C#N ZINC001238776012 1042723597 /nfs/dbraw/zinc/72/35/97/1042723597.db2.gz RKZBWKJACIVVAA-WXFUMESZSA-N 1 0 391.515 3.712 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CC[NH2+]CC2)cc1 ZINC001239221612 1042789263 /nfs/dbraw/zinc/78/92/63/1042789263.db2.gz KFILWFIENZQLKP-UHFFFAOYSA-N 1 0 399.292 3.721 20 30 GHEDRO O=C(Nc1cc(F)cc(C(F)(F)F)c1)N[C@@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC001239255798 1042798906 /nfs/dbraw/zinc/79/89/06/1042798906.db2.gz RZVCGSUCSZOEKE-PELKAZGASA-N 1 0 387.299 3.897 20 30 GHEDRO N#Cc1ccc(NC(=S)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1C(F)(F)F ZINC001239375668 1042816322 /nfs/dbraw/zinc/81/63/22/1042816322.db2.gz LATJCNQTJBETNS-MRXNPFEDSA-N 1 0 390.434 3.578 20 30 GHEDRO CCCCCCCCCNC(=S)NC1(Cc2cccnc2)CC[NH2+]CC1 ZINC001239390044 1042820121 /nfs/dbraw/zinc/82/01/21/1042820121.db2.gz QUOAAGAXVZSUSW-UHFFFAOYSA-N 1 0 376.614 3.961 20 30 GHEDRO N#Cc1ccc(NC(=S)NC[C@]2(CC3CC3)CCC[NH2+]2)c(Br)c1 ZINC001239396960 1042822822 /nfs/dbraw/zinc/82/28/22/1042822822.db2.gz SBMQLOIVHZNQJN-QGZVFWFLSA-N 1 0 393.354 3.529 20 30 GHEDRO [NH3+][C@@H]1C[C@@H](F)CN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001239417013 1042824133 /nfs/dbraw/zinc/82/41/33/1042824133.db2.gz WLOIUWNZDMEGBH-NXEZZACHSA-N 1 0 389.340 3.792 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001239434506 1042828760 /nfs/dbraw/zinc/82/87/60/1042828760.db2.gz RHGMUPJUWVLYHS-UGKGYDQZSA-N 1 0 376.529 3.508 20 30 GHEDRO CC1CCN(C(=O)c2ccc(-c3ccc(N4CC[NH2+]CC4)c(C#N)c3)cc2)CC1 ZINC001240040898 1042874394 /nfs/dbraw/zinc/87/43/94/1042874394.db2.gz KEWMHGQOEBNFPP-UHFFFAOYSA-N 1 0 388.515 3.507 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240387216 1042924449 /nfs/dbraw/zinc/92/44/49/1042924449.db2.gz ZBBLDDOKVYHCEP-IBGZPJMESA-N 1 0 390.487 3.715 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC001291071352 1043063819 /nfs/dbraw/zinc/06/38/19/1043063819.db2.gz ZXIHUKALUVNSTN-MBOZVWFJSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291102173 1043078583 /nfs/dbraw/zinc/07/85/83/1043078583.db2.gz IOQAQIDBHAIYSK-IAGOWNOFSA-N 1 0 383.544 3.522 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256550665 1043514532 /nfs/dbraw/zinc/51/45/32/1043514532.db2.gz NDQRRFLDYUKUJV-UNWVZKJWSA-N 1 0 394.563 3.575 20 30 GHEDRO C=CCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)c1 ZINC001292038518 1043573348 /nfs/dbraw/zinc/57/33/48/1043573348.db2.gz HEOSQBBXMRKXTL-UPVQGACJSA-N 1 0 392.499 3.729 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)cc1 ZINC001292107117 1043594123 /nfs/dbraw/zinc/59/41/23/1043594123.db2.gz DPDHOEIEVGHAGA-YFVAEKQCSA-N 1 0 381.520 3.560 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC[NH+]2CCCCC2)cc1 ZINC001292457111 1043743597 /nfs/dbraw/zinc/74/35/97/1043743597.db2.gz CRLQTEXCALZOFK-GOSISDBHSA-N 1 0 380.540 3.589 20 30 GHEDRO COc1cc(C#N)ccc1OC1CCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256923880 1043753670 /nfs/dbraw/zinc/75/36/70/1043753670.db2.gz SNMXHBAOZAVHFJ-HXUWFJFHSA-N 1 0 383.536 3.817 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](C3CCC(CC(=O)OC)CC3)CC2)C1 ZINC001256980754 1043782308 /nfs/dbraw/zinc/78/23/08/1043782308.db2.gz CEOWAJZFRBTPIH-UHFFFAOYSA-N 1 0 392.540 3.609 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]CCCCCCN3C(=O)C=CC3=O)CC2)cc1 ZINC001257011167 1043798193 /nfs/dbraw/zinc/79/81/93/1043798193.db2.gz WYRYMNYPSPNPHC-UHFFFAOYSA-N 1 0 379.504 3.659 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]Cc3ccc(N4CCOCC4=O)cc3)CC2)cc1 ZINC001257013306 1043799339 /nfs/dbraw/zinc/79/93/39/1043799339.db2.gz FPPKAMRBTGAAII-UHFFFAOYSA-N 1 0 389.499 3.737 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]C3CCN(C(=O)c4ccccn4)CC3)CC2)cc1 ZINC001257013241 1043799520 /nfs/dbraw/zinc/79/95/20/1043799520.db2.gz DYMIIJYAORRJRF-UHFFFAOYSA-N 1 0 388.515 3.874 20 30 GHEDRO N#Cc1ccc(C2CCC([N@H+]3CCN(Cc4ccccc4)[C@H](CO)C3)CC2)cc1 ZINC001257017121 1043802273 /nfs/dbraw/zinc/80/22/73/1043802273.db2.gz ONDJKDPSZJHMQV-STEQJIOHSA-N 1 0 389.543 3.763 20 30 GHEDRO COc1cc(N2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)ccn1 ZINC001257021803 1043805200 /nfs/dbraw/zinc/80/52/00/1043805200.db2.gz BOWPZGSHHSYONG-UHFFFAOYSA-N 1 0 376.504 3.810 20 30 GHEDRO CC(C)(C)OC(=O)CN1CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257020466 1043805310 /nfs/dbraw/zinc/80/53/10/1043805310.db2.gz FIGQZKAGFFMVFD-UHFFFAOYSA-N 1 0 383.536 3.544 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H](C)Cc1ccc(C(=O)OCC)cc1)CCC2 ZINC001257161091 1043907948 /nfs/dbraw/zinc/90/79/48/1043907948.db2.gz SVHFZBFYLZPNDA-SFHVURJKSA-N 1 0 397.519 3.599 20 30 GHEDRO CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001292878269 1043927155 /nfs/dbraw/zinc/92/71/55/1043927155.db2.gz AJVDSUYXSUGUPU-OAQYLSRUSA-N 1 0 392.551 3.756 20 30 GHEDRO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001257565035 1044050186 /nfs/dbraw/zinc/05/01/86/1044050186.db2.gz PWWCUUWDQSQUEY-INIZCTEOSA-N 1 0 399.336 3.859 20 30 GHEDRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001293301931 1044099069 /nfs/dbraw/zinc/09/90/69/1044099069.db2.gz IEAZAGRQFOXTLA-ABSDTBQOSA-N 1 0 392.551 3.924 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001293423340 1044168929 /nfs/dbraw/zinc/16/89/29/1044168929.db2.gz DIXOVGDFHSWZRZ-QFBILLFUSA-N 1 0 378.524 3.678 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCc4onc(C(=O)Nc5cccnc5)c4C3)C[C@H](C1)C2 ZINC001257893253 1044248844 /nfs/dbraw/zinc/24/88/44/1044248844.db2.gz OJLNCLIEPYLLRC-BYICEURKSA-N 1 0 378.476 3.815 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@]4(C[C@H](N(C)c5ncccn5)CO4)C3)C[C@H](C1)C2 ZINC001257893756 1044248904 /nfs/dbraw/zinc/24/89/04/1044248904.db2.gz ZBNZTIKGCVQHCC-ODJINULJSA-N 1 0 382.552 3.671 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001258048687 1044370832 /nfs/dbraw/zinc/37/08/32/1044370832.db2.gz XBSXQWDSGSWPRY-JTHBVZDNSA-N 1 0 389.584 3.734 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001258048287 1044371594 /nfs/dbraw/zinc/37/15/94/1044371594.db2.gz SGGXMTWNNJHPQV-XKCSPQBFSA-N 1 0 387.568 3.928 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258141941 1044428753 /nfs/dbraw/zinc/42/87/53/1044428753.db2.gz QEHQEUSCYZIXNW-BJKOFHAPSA-N 1 0 384.564 3.520 20 30 GHEDRO COC(=O)CC[C@@H](C)[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001258370591 1044526225 /nfs/dbraw/zinc/52/62/25/1044526225.db2.gz NHKKYRUGESXWGU-CQSZACIVSA-N 1 0 379.298 3.648 20 30 GHEDRO CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001294269154 1044558843 /nfs/dbraw/zinc/55/88/43/1044558843.db2.gz HADRFTCQENWQRW-UHFFFAOYSA-N 1 0 380.540 3.927 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258646649 1044686571 /nfs/dbraw/zinc/68/65/71/1044686571.db2.gz GJSYRICNJZHHCN-UHFFFAOYSA-N 1 0 389.499 3.706 20 30 GHEDRO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@]2(C(=O)OCC)C1 ZINC001258729677 1044735457 /nfs/dbraw/zinc/73/54/57/1044735457.db2.gz WTJBKTFXAYQVMI-SPEDKVCISA-N 1 0 394.556 3.853 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001258891746 1044849107 /nfs/dbraw/zinc/84/91/07/1044849107.db2.gz DCUWGCFJZDNFGJ-MHECFPHRSA-N 1 0 389.499 3.627 20 30 GHEDRO COc1ccccc1C[C@@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001258891745 1044849633 /nfs/dbraw/zinc/84/96/33/1044849633.db2.gz DCUWGCFJZDNFGJ-KOSHJBKYSA-N 1 0 389.499 3.627 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[C@@H]2C)C1 ZINC001295505570 1045037216 /nfs/dbraw/zinc/03/72/16/1045037216.db2.gz FFELOELXGMZOJL-CUWPLCDZSA-N 1 0 392.551 3.641 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C#N ZINC001296061291 1045238359 /nfs/dbraw/zinc/23/83/59/1045238359.db2.gz JWAOZTBSKYRLDT-SJORKVTESA-N 1 0 391.523 3.507 20 30 GHEDRO C=CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001296420394 1045311947 /nfs/dbraw/zinc/31/19/47/1045311947.db2.gz JJLXZPJBPKPQSH-JOCHJYFZSA-N 1 0 394.515 3.551 20 30 GHEDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC001297960317 1045667525 /nfs/dbraw/zinc/66/75/25/1045667525.db2.gz KDLGLGYXFXJWLR-GOSISDBHSA-N 1 0 377.488 3.694 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001298677596 1045915905 /nfs/dbraw/zinc/91/59/05/1045915905.db2.gz YZTSEKXBHXTCGZ-UHFFFAOYSA-N 1 0 384.907 3.533 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300905536 1046233460 /nfs/dbraw/zinc/23/34/60/1046233460.db2.gz SGYSKMYQUDGBSY-KRWDZBQOSA-N 1 0 378.524 3.702 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCC[NH+]1CCC(C)CC1 ZINC001300909348 1046235839 /nfs/dbraw/zinc/23/58/39/1046235839.db2.gz PYYZHEMLGUNQER-UHFFFAOYSA-N 1 0 382.556 3.865 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001300914063 1046238281 /nfs/dbraw/zinc/23/82/81/1046238281.db2.gz AVPNIXHKLQUMOP-RTBURBONSA-N 1 0 399.539 3.615 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001300958594 1046260407 /nfs/dbraw/zinc/26/04/07/1046260407.db2.gz LQMDEMRQVBHEAI-OAQYLSRUSA-N 1 0 379.552 3.908 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001262504273 1046264811 /nfs/dbraw/zinc/26/48/11/1046264811.db2.gz LPQZFQYHTSRWFI-XSLAGTTESA-N 1 0 375.586 3.589 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001301030457 1046296332 /nfs/dbraw/zinc/29/63/32/1046296332.db2.gz LPQSBRBUHZEDAT-LSDHHAIUSA-N 1 0 377.895 3.756 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001301075702 1046322372 /nfs/dbraw/zinc/32/23/72/1046322372.db2.gz OJLVKNDDYRXHKX-INIZCTEOSA-N 1 0 388.947 3.880 20 30 GHEDRO C=CC1CCN(c2nnc(C(C)C)n2CC[N@@H+]2CCc3sccc3C2)CC1 ZINC001301106998 1046344303 /nfs/dbraw/zinc/34/43/03/1046344303.db2.gz ZSJBQXLSGFOBMI-UHFFFAOYSA-N 1 0 385.581 3.924 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001301112442 1046348986 /nfs/dbraw/zinc/34/89/86/1046348986.db2.gz WRNRPNUBWLFCHD-UHFFFAOYSA-N 1 0 393.535 3.618 20 30 GHEDRO C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001301220463 1046410775 /nfs/dbraw/zinc/41/07/75/1046410775.db2.gz AZHQIWMEKZCTKP-LJQANCHMSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CCC[C@H]1C ZINC001301282836 1046452503 /nfs/dbraw/zinc/45/25/03/1046452503.db2.gz LXBOBQGPJQQWSE-QGZVFWFLSA-N 1 0 376.508 3.600 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2OCCCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262969735 1046458841 /nfs/dbraw/zinc/45/88/41/1046458841.db2.gz POIUUVJXYDFWPH-RBUKOAKNSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001301394037 1046524295 /nfs/dbraw/zinc/52/42/95/1046524295.db2.gz JHNVTPMASKQGBS-VQTJNVASSA-N 1 0 394.567 3.563 20 30 GHEDRO C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301470119 1046555203 /nfs/dbraw/zinc/55/52/03/1046555203.db2.gz NNUOOPVHLQAXGU-UHFFFAOYSA-N 1 0 399.514 3.637 20 30 GHEDRO C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001301594372 1046613313 /nfs/dbraw/zinc/61/33/13/1046613313.db2.gz BBYLAXCDIPDJQQ-MSOLQXFVSA-N 1 0 377.602 3.775 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCCCCC1 ZINC001263278503 1046671157 /nfs/dbraw/zinc/67/11/57/1046671157.db2.gz LBCOEAXFYXNWEF-HXUWFJFHSA-N 1 0 387.572 3.941 20 30 GHEDRO C=C(C)Cn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001263301627 1046699452 /nfs/dbraw/zinc/69/94/52/1046699452.db2.gz UTDZNMVHYOFFBC-WMZHIEFXSA-N 1 0 395.551 3.664 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263306265 1046704180 /nfs/dbraw/zinc/70/41/80/1046704180.db2.gz SVHXDJHLQAPSSZ-OTWHNJEPSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263306264 1046704712 /nfs/dbraw/zinc/70/47/12/1046704712.db2.gz SVHXDJHLQAPSSZ-IPMKNSEASA-N 1 0 389.588 3.693 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001301960961 1046762890 /nfs/dbraw/zinc/76/28/90/1046762890.db2.gz VDVSNXTYASOSFH-KSSFIOAISA-N 1 0 386.931 3.535 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001263406139 1046789802 /nfs/dbraw/zinc/78/98/02/1046789802.db2.gz YWQLDQCZQHWCFK-VAMGGRTRSA-N 1 0 384.572 3.509 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001302738068 1047078226 /nfs/dbraw/zinc/07/82/26/1047078226.db2.gz UHBKUCHFGGZFHZ-RTWAWAEBSA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302880560 1047163045 /nfs/dbraw/zinc/16/30/45/1047163045.db2.gz UDACCIQBZQPNBC-SFHVURJKSA-N 1 0 386.588 3.727 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000589272402 1047171113 /nfs/dbraw/zinc/17/11/13/1047171113.db2.gz WXMVXJYGVHZSGE-UTKZUKDTSA-N 1 0 399.922 3.915 20 30 GHEDRO CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001303128196 1047283884 /nfs/dbraw/zinc/28/38/84/1047283884.db2.gz CUXKUZUWMBKHAN-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001303628187 1047454855 /nfs/dbraw/zinc/45/48/55/1047454855.db2.gz UPKBIODKVYEVPL-JKSUJKDBSA-N 1 0 398.942 3.821 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)[N@H+](C)C1CC1 ZINC001303701500 1047486434 /nfs/dbraw/zinc/48/64/34/1047486434.db2.gz QTPRQTKUGYACLA-ZHRRBRCNSA-N 1 0 396.514 3.697 20 30 GHEDRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCC1 ZINC001303751202 1047504216 /nfs/dbraw/zinc/50/42/16/1047504216.db2.gz HXGFLQILGDZPSX-IBGZPJMESA-N 1 0 398.599 3.873 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(C#N)CC1)C[NH+]1CCCCC1 ZINC001303754842 1047504917 /nfs/dbraw/zinc/50/49/17/1047504917.db2.gz YXLRHBFHWZHWEH-IBGZPJMESA-N 1 0 392.551 3.807 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001304295999 1047637370 /nfs/dbraw/zinc/63/73/70/1047637370.db2.gz MJBAFYFIKVDLDS-FUHWJXTLSA-N 1 0 384.528 3.563 20 30 GHEDRO N#Cc1ccc(Oc2ccc(OS(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)cc2)cc1 ZINC001463238791 1070932929 /nfs/dbraw/zinc/93/29/29/1070932929.db2.gz LEPWOZKBMKCCCL-NRFANRHFSA-N 1 0 398.484 3.545 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001304452119 1047681837 /nfs/dbraw/zinc/68/18/37/1047681837.db2.gz SGRBHDFKGHDLQJ-GOSISDBHSA-N 1 0 395.555 3.509 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001304525599 1047700815 /nfs/dbraw/zinc/70/08/15/1047700815.db2.gz OPCDWEHOWLJPPH-SFHVURJKSA-N 1 0 394.567 3.971 20 30 GHEDRO Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001304804587 1047775090 /nfs/dbraw/zinc/77/50/90/1047775090.db2.gz MGJGUZGTRCHOED-ICSRJNTNSA-N 1 0 398.580 3.861 20 30 GHEDRO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)ccc1Br ZINC001279461990 1047816601 /nfs/dbraw/zinc/81/66/01/1047816601.db2.gz NOQVBCCSFZOGIY-CALCHBBNSA-N 1 0 388.309 3.552 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)c(Cl)c1 ZINC001279526071 1047832720 /nfs/dbraw/zinc/83/27/20/1047832720.db2.gz IYJWITQSNOOBRU-UHFFFAOYSA-N 1 0 385.817 3.702 20 30 GHEDRO CCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1ccc(O)cc1O ZINC001279865388 1047972684 /nfs/dbraw/zinc/97/26/84/1047972684.db2.gz XSYAWCMXODDVSA-INIZCTEOSA-N 1 0 378.538 3.814 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001305376744 1048000675 /nfs/dbraw/zinc/00/06/75/1048000675.db2.gz ODHHWICZCSTYKJ-OKZBNKHCSA-N 1 0 384.528 3.818 20 30 GHEDRO CCN(C(=O)[C@H]1CC12CCN(Cc1sc(N)c(C#N)c1Cl)CC2)C(C)C ZINC001280078892 1048072312 /nfs/dbraw/zinc/07/23/12/1048072312.db2.gz QVXOVAHTBYERCA-CQSZACIVSA-N 1 0 394.972 3.714 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2ccc(-c4cccs4)s2)C3)CCC1 ZINC001280269370 1048152980 /nfs/dbraw/zinc/15/29/80/1048152980.db2.gz ORRMAKFFGNZUSB-HNNXBMFYSA-N 1 0 383.542 3.861 20 30 GHEDRO N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2ccc(F)cc2Cl)CCC1 ZINC001280303215 1048168924 /nfs/dbraw/zinc/16/89/24/1048168924.db2.gz NWVDYWRWJJWYQU-XLQHLMKVSA-N 1 0 375.875 3.546 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)F ZINC001305606669 1048180185 /nfs/dbraw/zinc/18/01/85/1048180185.db2.gz KLILVHYYFMPXAJ-OAHLLOKOSA-N 1 0 390.482 3.638 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001286272622 1048245960 /nfs/dbraw/zinc/24/59/60/1048245960.db2.gz DATBNIMOWOCSDX-QUCCMNQESA-N 1 0 379.552 3.871 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001286278584 1048249537 /nfs/dbraw/zinc/24/95/37/1048249537.db2.gz DYJLZCQCMCJCPJ-LAUBAEHRSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCC[N@@H+]1CC ZINC001286279153 1048249802 /nfs/dbraw/zinc/24/98/02/1048249802.db2.gz UAKYRTPADVHFJB-CEWLAPEOSA-N 1 0 379.552 3.762 20 30 GHEDRO CC[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C#N)[NH+]1CCCC1 ZINC001305823415 1048253331 /nfs/dbraw/zinc/25/33/31/1048253331.db2.gz OBYCZXGAYYYCNH-SJORKVTESA-N 1 0 384.503 3.554 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001286294685 1048259746 /nfs/dbraw/zinc/25/97/46/1048259746.db2.gz WOUIYXYBGQWDSP-XUVXKRRUSA-N 1 0 387.572 3.632 20 30 GHEDRO C#CCCCn1c(CC)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001286352522 1048283629 /nfs/dbraw/zinc/28/36/29/1048283629.db2.gz LDHPHBMTGQVPNW-UHFFFAOYSA-N 1 0 379.552 3.602 20 30 GHEDRO C#CCN(C)c1nnc(C2CC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001286372487 1048296177 /nfs/dbraw/zinc/29/61/77/1048296177.db2.gz VJGANXWKAOQFDW-AZUAARDMSA-N 1 0 377.536 3.526 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccsc2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286378072 1048299110 /nfs/dbraw/zinc/29/91/10/1048299110.db2.gz GKKISFWRCKRPAN-RTBURBONSA-N 1 0 399.608 3.758 20 30 GHEDRO C#CCN(C)c1nnc(CCc2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286378930 1048300684 /nfs/dbraw/zinc/30/06/84/1048300684.db2.gz ZJOPJZAMKRZLJR-FQEVSTJZSA-N 1 0 393.579 3.643 20 30 GHEDRO C#CCN(CC#C)c1nnc([C@H](C)CC)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286397639 1048302042 /nfs/dbraw/zinc/30/20/42/1048302042.db2.gz ONCFBKZMRHTJGM-QHAWAJNXSA-N 1 0 383.584 3.623 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001305921761 1048312401 /nfs/dbraw/zinc/31/24/01/1048312401.db2.gz WASVHRDPTTXRGC-IAGOWNOFSA-N 1 0 380.540 3.729 20 30 GHEDRO C=C(Br)Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001286547115 1048358599 /nfs/dbraw/zinc/35/85/99/1048358599.db2.gz DARPGSLWKSWEAW-UHFFFAOYSA-N 1 0 398.393 3.795 20 30 GHEDRO C=C(Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1)c1ccccc1 ZINC001286616752 1048389373 /nfs/dbraw/zinc/38/93/73/1048389373.db2.gz BOZGGCWLGKLEKO-LJQANCHMSA-N 1 0 390.535 3.527 20 30 GHEDRO C=C(Cl)Cn1c(COCC)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001286636362 1048404967 /nfs/dbraw/zinc/40/49/67/1048404967.db2.gz UZWPDUMSDWBBTB-GOSISDBHSA-N 1 0 395.979 3.660 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286649183 1048416285 /nfs/dbraw/zinc/41/62/85/1048416285.db2.gz ZIQKNGRXCJJBBO-IBGZPJMESA-N 1 0 383.515 3.506 20 30 GHEDRO C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001286694275 1048455133 /nfs/dbraw/zinc/45/51/33/1048455133.db2.gz PQBDQIBFBKJKAQ-LJQANCHMSA-N 1 0 397.567 3.631 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCCO2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001286725253 1048481887 /nfs/dbraw/zinc/48/18/87/1048481887.db2.gz QNABBAQZWPWYIW-RBUKOAKNSA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCN(c1nnc(C(C)C)n1C[C@H](c1cccc(OC)c1)[NH+](C)C)C1CC1 ZINC001286731783 1048489935 /nfs/dbraw/zinc/48/99/35/1048489935.db2.gz FJGXNHKKNWIYIY-HXUWFJFHSA-N 1 0 383.540 3.868 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CC[NH+]1CCC(C)CC1 ZINC001286753300 1048506308 /nfs/dbraw/zinc/50/63/08/1048506308.db2.gz AHTQPJJPQRJFDB-UHFFFAOYSA-N 1 0 383.515 3.995 20 30 GHEDRO CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001306286740 1048543144 /nfs/dbraw/zinc/54/31/44/1048543144.db2.gz LQABKZWHORSUEA-RXVVDRJESA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306366677 1048604397 /nfs/dbraw/zinc/60/43/97/1048604397.db2.gz IJGPMIXOWAAEPS-OALUTQOASA-N 1 0 392.551 3.785 20 30 GHEDRO CC(C)c1nnc(N2CCC(CC#N)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001287196666 1048644188 /nfs/dbraw/zinc/64/41/88/1048644188.db2.gz OCRFTDJVXKDDLQ-UHFFFAOYSA-N 1 0 380.540 3.664 20 30 GHEDRO CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C1 ZINC001287237022 1048676065 /nfs/dbraw/zinc/67/60/65/1048676065.db2.gz VMSXJYQUOWBZEH-OAQYLSRUSA-N 1 0 392.551 3.785 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001287925935 1048948304 /nfs/dbraw/zinc/94/83/04/1048948304.db2.gz IKKLPHHFHKOOHX-UHFFFAOYSA-N 1 0 394.567 3.859 20 30 GHEDRO C[NH+](C)C1(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)Cc2ccccc2C1 ZINC001306977438 1048988894 /nfs/dbraw/zinc/98/88/94/1048988894.db2.gz FCISHXUVXHVBFP-UHFFFAOYSA-N 1 0 399.542 3.995 20 30 GHEDRO CCc1nc(C#N)cc(N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)n1 ZINC001306993601 1048996111 /nfs/dbraw/zinc/99/61/11/1048996111.db2.gz RFAQXMHWCIKLGQ-UHFFFAOYSA-N 1 0 375.520 3.936 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001288530212 1049129563 /nfs/dbraw/zinc/12/95/63/1049129563.db2.gz OGADYVINDCQUMB-QFBILLFUSA-N 1 0 398.580 3.686 20 30 GHEDRO Cc1ccc([C@H](Cn2c(C3CC3)nnc2N(CCC#N)CC2CC2)[NH+](C)C)cc1 ZINC001289481236 1049507548 /nfs/dbraw/zinc/50/75/48/1049507548.db2.gz BWJKKAHTKJVVQE-NRFANRHFSA-N 1 0 392.551 3.897 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC001307694183 1049511649 /nfs/dbraw/zinc/51/16/49/1049511649.db2.gz YIFQLSSQTZKMKB-INIZCTEOSA-N 1 0 375.432 3.728 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C12CCCC2 ZINC001307754116 1049568805 /nfs/dbraw/zinc/56/88/05/1049568805.db2.gz KXFRNYDBMKJMON-RTWAWAEBSA-N 1 0 383.536 3.878 20 30 GHEDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001307770999 1049581080 /nfs/dbraw/zinc/58/10/80/1049581080.db2.gz VPGKYWFRISQETG-NRSPTQNISA-N 1 0 399.535 3.650 20 30 GHEDRO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCC2 ZINC001307776151 1049585693 /nfs/dbraw/zinc/58/56/93/1049585693.db2.gz RBBBBXCTIBRDFS-UXHICEINSA-N 1 0 398.551 3.920 20 30 GHEDRO COc1cc(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC001289687015 1049591884 /nfs/dbraw/zinc/59/18/84/1049591884.db2.gz ZUDMFJXJPQQNSX-FSSWDIPSSA-N 1 0 389.499 3.597 20 30 GHEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307828882 1049620452 /nfs/dbraw/zinc/62/04/52/1049620452.db2.gz NYBLLLDWTONHJY-HSALFYBXSA-N 1 0 392.515 3.835 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H]3C3CCC3)sc2C1 ZINC001307868369 1049651198 /nfs/dbraw/zinc/65/11/98/1049651198.db2.gz MPPFMZDALKXVMH-KDOFPFPSSA-N 1 0 387.549 3.574 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001307957021 1049721798 /nfs/dbraw/zinc/72/17/98/1049721798.db2.gz HUKITIJBPMGGEL-QGZVFWFLSA-N 1 0 394.544 3.797 20 30 GHEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001308042930 1049792850 /nfs/dbraw/zinc/79/28/50/1049792850.db2.gz GMWVLQJVFYNVGB-IBGZPJMESA-N 1 0 387.524 3.751 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(C)c(Cl)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075779 1049821403 /nfs/dbraw/zinc/82/14/03/1049821403.db2.gz QPPBCNJBSHOJDB-UHFFFAOYSA-N 1 0 377.916 3.878 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001308102531 1049848163 /nfs/dbraw/zinc/84/81/63/1049848163.db2.gz HNLUJFGAZRZOBK-HKUYNNGSSA-N 1 0 387.499 3.599 20 30 GHEDRO N#Cc1ccc(Br)c(CN2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC001308139998 1049879151 /nfs/dbraw/zinc/87/91/51/1049879151.db2.gz RLSKLEFGWGVUBJ-INIZCTEOSA-N 1 0 383.293 3.700 20 30 GHEDRO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001290716649 1049907175 /nfs/dbraw/zinc/90/71/75/1049907175.db2.gz LPSBKJBCIWVHMI-UHFFFAOYSA-N 1 0 394.567 3.853 20 30 GHEDRO C#CCOc1ccc(F)cc1NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308292542 1049940054 /nfs/dbraw/zinc/94/00/54/1049940054.db2.gz BTZOUHIKAYEFDE-UHFFFAOYSA-N 1 0 392.377 3.833 20 30 GHEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC001308481825 1049986426 /nfs/dbraw/zinc/98/64/26/1049986426.db2.gz FEJOSWIQUZNQDN-AWEZNQCLSA-N 1 0 375.104 3.730 20 30 GHEDRO C#CC[C@H](COC)[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308888821 1050140771 /nfs/dbraw/zinc/14/07/71/1050140771.db2.gz VZTXCNJLAPATOY-KBXCAEBGSA-N 1 0 376.294 3.998 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc(C)cc1C#N ZINC001309092137 1050344067 /nfs/dbraw/zinc/34/40/67/1050344067.db2.gz ZMLWMBZXGCKHNJ-UHFFFAOYSA-N 1 0 391.581 3.967 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001328398382 1050495105 /nfs/dbraw/zinc/49/51/05/1050495105.db2.gz KVEPGWBFMKGJII-OXFYSEKESA-N 1 0 391.918 3.917 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(OCC#N)c3)C[C@H]2C1 ZINC001329498058 1050820637 /nfs/dbraw/zinc/82/06/37/1050820637.db2.gz CQNFKZMRSGZGFQ-GBESFXJTSA-N 1 0 385.508 3.714 20 30 GHEDRO CCOc1cccc(/C=C/C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001331078049 1051186377 /nfs/dbraw/zinc/18/63/77/1051186377.db2.gz MIJYKVDMEFZVAR-VAWYXSNFSA-N 1 0 389.499 3.773 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001310176013 1051208476 /nfs/dbraw/zinc/20/84/76/1051208476.db2.gz MFBKYLPPRKMUJJ-UHFFFAOYSA-N 1 0 385.895 3.996 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)[NH+]2CCCC2)o1 ZINC001310836348 1051632188 /nfs/dbraw/zinc/63/21/88/1051632188.db2.gz HZAKDVBBZGNVRN-FQEVSTJZSA-N 1 0 395.507 3.793 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC001310839692 1051637088 /nfs/dbraw/zinc/63/70/88/1051637088.db2.gz ZYZATSKXFQHBPW-HXUWFJFHSA-N 1 0 391.519 3.671 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC001334021347 1051887481 /nfs/dbraw/zinc/88/74/81/1051887481.db2.gz YJBBRWMMMQLSNE-UHFFFAOYSA-N 1 0 375.341 3.560 20 30 GHEDRO CCC(CC)(CNC(=O)Nc1cnc(OC)c(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC001311198612 1051935610 /nfs/dbraw/zinc/93/56/10/1051935610.db2.gz ZXVLUHRNEXPFHP-MRXNPFEDSA-N 1 0 395.507 3.993 20 30 GHEDRO CCCN(C(=O)N[C@@H](CC#N)C(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001311215236 1051946259 /nfs/dbraw/zinc/94/62/59/1051946259.db2.gz GJQXKZCXOBTZEX-MSOLQXFVSA-N 1 0 396.457 3.917 20 30 GHEDRO CC(C)C[C@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC001311216030 1051947005 /nfs/dbraw/zinc/94/70/05/1051947005.db2.gz NAYZIZGKQURVAS-OIISXLGYSA-N 1 0 384.446 3.896 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001311344733 1052040952 /nfs/dbraw/zinc/04/09/52/1052040952.db2.gz RRCDNAUOWGNGBP-FQEVSTJZSA-N 1 0 394.519 3.999 20 30 GHEDRO C#C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccc(Br)cc1 ZINC001311345963 1052042486 /nfs/dbraw/zinc/04/24/86/1052042486.db2.gz RBPUFICXHFMTTK-KRWDZBQOSA-N 1 0 392.341 3.687 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC001311619482 1052284903 /nfs/dbraw/zinc/28/49/03/1052284903.db2.gz PAGZSBRMTAUOCT-OALUTQOASA-N 1 0 391.849 3.895 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC001313026409 1052936889 /nfs/dbraw/zinc/93/68/89/1052936889.db2.gz OJVSHIKAZCRMCL-JOCHJYFZSA-N 1 0 380.536 3.854 20 30 GHEDRO C=C(C)Cn1c([C@H](O)CC)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001342280768 1053069451 /nfs/dbraw/zinc/06/94/51/1053069451.db2.gz MKSNABHASYKBIA-OAQYLSRUSA-N 1 0 397.567 3.646 20 30 GHEDRO CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001313561841 1053097084 /nfs/dbraw/zinc/09/70/84/1053097084.db2.gz RXPKQWWOJSVGEE-QGZVFWFLSA-N 1 0 380.521 3.637 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)[C@H](C)O)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342313564 1053097413 /nfs/dbraw/zinc/09/74/13/1053097413.db2.gz TVRWAGMOQPCMEY-OALUTQOASA-N 1 0 389.588 3.573 20 30 GHEDRO C=CCn1c(-c2cnoc2C)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001342439241 1053169667 /nfs/dbraw/zinc/16/96/67/1053169667.db2.gz SZBVRCMMLSYNJA-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO C=C(C)Cn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC[C@H]1CSC ZINC001342452048 1053176440 /nfs/dbraw/zinc/17/64/40/1053176440.db2.gz AOBWIPUZUKCSKL-IPQPSQTFSA-N 1 0 389.613 3.601 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)OC1CCCC1 ZINC001313721132 1053189818 /nfs/dbraw/zinc/18/98/18/1053189818.db2.gz GPCUFRZBBPUUNL-QGZVFWFLSA-N 1 0 396.539 3.857 20 30 GHEDRO C=C(C)Cn1c(C2SC=CC2=O)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342529644 1053219576 /nfs/dbraw/zinc/21/95/76/1053219576.db2.gz UAKMVBXVXJLAMJ-UHFFFAOYSA-N 1 0 387.553 3.743 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)C1 ZINC001313887424 1053271825 /nfs/dbraw/zinc/27/18/25/1053271825.db2.gz DBXWRVYEOVYSHW-GGPKGHCWSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313902142 1053279534 /nfs/dbraw/zinc/27/95/34/1053279534.db2.gz JXEOIRKQBRPJCW-KNQAVFIVSA-N 1 0 378.524 3.559 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(C)C)C[C@@H]1C ZINC001313935897 1053290675 /nfs/dbraw/zinc/29/06/75/1053290675.db2.gz KSLXKSDYHJDSRF-SFHVURJKSA-N 1 0 380.540 3.783 20 30 GHEDRO CC(C)Cn1c(-c2coc(C#N)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342852656 1053389989 /nfs/dbraw/zinc/38/99/89/1053389989.db2.gz DVXCFUASVIHNSN-OXQOHEQNSA-N 1 0 394.523 3.519 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@H]3C[C@H]3C#N)n2CC(C)C)CC1 ZINC001342888461 1053411537 /nfs/dbraw/zinc/41/15/37/1053411537.db2.gz CXYCTJNVSNNHAR-OALUTQOASA-N 1 0 384.572 3.796 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001343233040 1053637588 /nfs/dbraw/zinc/63/75/88/1053637588.db2.gz LHKDMBXHHIFEBJ-BJLQDIEVSA-N 1 0 387.572 3.652 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 ZINC001343289641 1053680484 /nfs/dbraw/zinc/68/04/84/1053680484.db2.gz UFNUZDLQSBARSW-NRFANRHFSA-N 1 0 387.483 3.984 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC(C)(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343344707 1053718018 /nfs/dbraw/zinc/71/80/18/1053718018.db2.gz NXGZMXPCQDUHIU-SFHVURJKSA-N 1 0 377.577 3.634 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nnc1C(C)(C)O ZINC001343523528 1053839173 /nfs/dbraw/zinc/83/91/73/1053839173.db2.gz OUNAIGPKXDSSEC-GOSISDBHSA-N 1 0 389.588 3.563 20 30 GHEDRO C=C(C)Cn1c(-c2n[nH]c(C)c2Cl)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343531365 1053846801 /nfs/dbraw/zinc/84/68/01/1053846801.db2.gz KKNBMLTWIICQBI-UHFFFAOYSA-N 1 0 391.951 3.517 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001343557675 1053878063 /nfs/dbraw/zinc/87/80/63/1053878063.db2.gz LJWRGMMYIHSXKF-CEWLAPEOSA-N 1 0 392.551 3.519 20 30 GHEDRO C=C(C)Cn1c(-c2cnoc2-c2ccoc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001343752306 1053998750 /nfs/dbraw/zinc/99/87/50/1053998750.db2.gz RSRGOCNPLBXVDK-UHFFFAOYSA-N 1 0 396.495 3.736 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001318455074 1054651288 /nfs/dbraw/zinc/65/12/88/1054651288.db2.gz XOXCBRCGJSJTBJ-ROUUACIJSA-N 1 0 383.521 3.600 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)CCC#N)n2Cc2cccs2)C[C@@H]1C ZINC001344772463 1054734500 /nfs/dbraw/zinc/73/45/00/1054734500.db2.gz PTYPUGFHLNHONF-IKGGRYGDSA-N 1 0 386.569 3.714 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1ccc(CC#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC001318951592 1054962327 /nfs/dbraw/zinc/96/23/27/1054962327.db2.gz PABRHLCHKZPHLC-GOSISDBHSA-N 1 0 399.560 3.941 20 30 GHEDRO Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC001319906930 1055535876 /nfs/dbraw/zinc/53/58/76/1055535876.db2.gz QILNKIQFSAFWBP-NRFANRHFSA-N 1 0 386.503 3.739 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001320208508 1055706742 /nfs/dbraw/zinc/70/67/42/1055706742.db2.gz JKHZMYKXIITPDI-HXUWFJFHSA-N 1 0 398.459 3.959 20 30 GHEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001320305776 1055745606 /nfs/dbraw/zinc/74/56/06/1055745606.db2.gz FULIBQDNSMDUBM-NRJQMVOHSA-N 1 0 388.508 3.680 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001321782598 1056394194 /nfs/dbraw/zinc/39/41/94/1056394194.db2.gz XQTCTGXVKBTULN-UHFFFAOYSA-N 1 0 390.531 3.608 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300618259 1056681896 /nfs/dbraw/zinc/68/18/96/1056681896.db2.gz BZBBLRSKJKBZRY-MBSDFSHPSA-N 1 0 394.567 3.619 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001354475006 1056695667 /nfs/dbraw/zinc/69/56/67/1056695667.db2.gz RXWRFZYLGKTWKF-UHFFFAOYSA-N 1 0 375.516 3.541 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1C[C@H](C)[NH+](CC)CC ZINC001300648447 1056767659 /nfs/dbraw/zinc/76/76/59/1056767659.db2.gz ORXUAHPVEMUJKJ-KRWDZBQOSA-N 1 0 383.515 3.665 20 30 GHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccn1 ZINC001354573394 1056784936 /nfs/dbraw/zinc/78/49/36/1056784936.db2.gz BWUVUQQUPIAMRC-UHFFFAOYSA-N 1 0 392.484 3.874 20 30 GHEDRO CC(C)(CNC(=O)[C@@H]([NH3+])CCCCC#N)Sc1ccc(Br)cc1 ZINC000848404005 1057067377 /nfs/dbraw/zinc/06/73/77/1057067377.db2.gz CUPHTDHFSCZBES-HNNXBMFYSA-N 1 0 398.370 3.847 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324767321 1057222258 /nfs/dbraw/zinc/22/22/58/1057222258.db2.gz HRZFIRLYECWAKB-YQQQUEKLSA-N 1 0 377.448 3.859 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC2(CCC2)C1 ZINC001355864674 1057298612 /nfs/dbraw/zinc/29/86/12/1057298612.db2.gz ZJYWEFGQJLFWND-LJQANCHMSA-N 1 0 385.556 3.551 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001356053040 1057370411 /nfs/dbraw/zinc/37/04/11/1057370411.db2.gz FGBDAQOKSPWIED-IFMALSPDSA-N 1 0 398.514 3.567 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326061469 1057406510 /nfs/dbraw/zinc/40/65/10/1057406510.db2.gz CPYUAWFLMAABPC-UHFFFAOYSA-N 1 0 382.426 3.876 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)cc2F)c1 ZINC000848900844 1057407086 /nfs/dbraw/zinc/40/70/86/1057407086.db2.gz LCRWOOBQJOONHY-NRFANRHFSA-N 1 0 395.478 3.942 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1 ZINC000848900081 1057407679 /nfs/dbraw/zinc/40/76/79/1057407679.db2.gz ATFOLAUQSCBQED-QFIPXVFZSA-N 1 0 377.488 3.802 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001356175360 1057418478 /nfs/dbraw/zinc/41/84/78/1057418478.db2.gz BUOHDWXMPMPPMA-TZIWHRDSSA-N 1 0 399.583 3.797 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000848918696 1057420423 /nfs/dbraw/zinc/42/04/23/1057420423.db2.gz ISQBBVZSSIQGMH-KRWDZBQOSA-N 1 0 385.508 3.810 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NCCC(=O)Nc3cccc(C#N)c3)cc2)CC1 ZINC001326160357 1057424899 /nfs/dbraw/zinc/42/48/99/1057424899.db2.gz OVFQXJZPFOYHSQ-UHFFFAOYSA-N 1 0 391.519 3.529 20 30 GHEDRO C[NH+]1CCC(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC001356305063 1057466070 /nfs/dbraw/zinc/46/60/70/1057466070.db2.gz OKWCYKSNAVTJDF-INIZCTEOSA-N 1 0 389.908 3.751 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(C[S@](C)=O)cc1 ZINC000849049526 1057556897 /nfs/dbraw/zinc/55/68/97/1057556897.db2.gz HJFOKDXHSQGSDI-MHZLTWQESA-N 1 0 385.577 3.909 20 30 GHEDRO CCCC[NH+]=C(NCCCNC(=O)c1cccs1)NCc1ccc(C)cc1 ZINC000849073009 1057581538 /nfs/dbraw/zinc/58/15/38/1057581538.db2.gz AGNSSMYLMPHSFZ-UHFFFAOYSA-N 1 0 386.565 3.712 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000849081547 1057585255 /nfs/dbraw/zinc/58/52/55/1057585255.db2.gz DBJQIGSMYVYCNX-ZVZYQTTQSA-N 1 0 385.512 3.895 20 30 GHEDRO C=C(C)Cn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001357178433 1057625444 /nfs/dbraw/zinc/62/54/44/1057625444.db2.gz DQNCSUOZFCEFJO-WOJBJXKFSA-N 1 0 392.551 3.788 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC001441659128 1058834975 /nfs/dbraw/zinc/83/49/75/1058834975.db2.gz PEQOUJOLPSAXEU-PXLSRWGNSA-N 1 0 383.536 3.743 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001338995722 1058918885 /nfs/dbraw/zinc/91/88/85/1058918885.db2.gz SGGLFARQPCISAG-FJIDUMEYSA-N 1 0 375.561 3.507 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001442258059 1058940743 /nfs/dbraw/zinc/94/07/43/1058940743.db2.gz DKBJJCHVOXNLPK-NRFANRHFSA-N 1 0 381.520 3.846 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(C#N)CCCOC1)c1ccc(C(F)(F)F)cc1 ZINC001442302063 1058945787 /nfs/dbraw/zinc/94/57/87/1058945787.db2.gz AAWJDSBWSBRQFW-PKOBYXMFSA-N 1 0 397.441 3.525 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001339125202 1058970812 /nfs/dbraw/zinc/97/08/12/1058970812.db2.gz IKLAIOZOSYTYKE-FCHUYYIVSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(Br)c(F)cc1N)C(C)C ZINC001443420805 1059125629 /nfs/dbraw/zinc/12/56/29/1059125629.db2.gz CPIYHDHKFQVAJT-QGZVFWFLSA-N 1 0 398.320 3.599 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCCC)CC1 ZINC001443532419 1059143133 /nfs/dbraw/zinc/14/31/33/1059143133.db2.gz FYBXCCCGCNUBST-SFHVURJKSA-N 1 0 381.561 3.617 20 30 GHEDRO CCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)CC#N ZINC001339455370 1059226412 /nfs/dbraw/zinc/22/64/12/1059226412.db2.gz DOMUJRNPGRRPME-UYAOXDASSA-N 1 0 394.567 3.979 20 30 GHEDRO C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001339499138 1059257020 /nfs/dbraw/zinc/25/70/20/1059257020.db2.gz KJJUEQGSQNRFDD-IBGZPJMESA-N 1 0 378.524 3.584 20 30 GHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)cc21 ZINC001444407714 1059321059 /nfs/dbraw/zinc/32/10/59/1059321059.db2.gz KZNLDDAMVXMJPZ-YHYXMXQVSA-N 1 0 379.435 3.563 20 30 GHEDRO CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@H](CC#N)C1 ZINC001339593013 1059329556 /nfs/dbraw/zinc/32/95/56/1059329556.db2.gz NRXWBNJWTPWJOI-RTWAWAEBSA-N 1 0 392.551 3.808 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(CC#N)cc1 ZINC001339838700 1059510727 /nfs/dbraw/zinc/51/07/27/1059510727.db2.gz ZMXORFAUOOFTIE-GOSISDBHSA-N 1 0 397.544 3.606 20 30 GHEDRO C=CCn1c(CSC(C)(C)C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001340297548 1059837366 /nfs/dbraw/zinc/83/73/66/1059837366.db2.gz OSUXRKRVAAHZPJ-GVDBMIGSSA-N 1 0 377.602 3.662 20 30 GHEDRO C=CCn1c(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nnc1C(C)(C)CC#N ZINC001340427801 1059926457 /nfs/dbraw/zinc/92/64/57/1059926457.db2.gz LHPNWGATXGXJHK-MOPGFXCFSA-N 1 0 384.572 3.746 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001340491617 1059951058 /nfs/dbraw/zinc/95/10/58/1059951058.db2.gz QKDOOSBKBCRXGS-KRWDZBQOSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCn1c([C@@H](O)CC(C)(C)C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001340634735 1060006399 /nfs/dbraw/zinc/00/63/99/1060006399.db2.gz HCHZKVGEPPTNTG-SFHVURJKSA-N 1 0 389.588 3.779 20 30 GHEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001340675409 1060040087 /nfs/dbraw/zinc/04/00/87/1060040087.db2.gz BZHMYCBZGPGEDU-LJQANCHMSA-N 1 0 382.483 3.672 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448884319 1060292094 /nfs/dbraw/zinc/29/20/94/1060292094.db2.gz PWFFBANOMNOMGF-MOPGFXCFSA-N 1 0 395.588 3.626 20 30 GHEDRO N#C[C@]1(C(=O)Nc2ccc3[nH]c(C4CC[NH2+]CC4)nc3c2)CC2CCC1CC2 ZINC001341001273 1060322371 /nfs/dbraw/zinc/32/23/71/1060322371.db2.gz ZNDKPDGIYQUXNS-SDDNFHFQSA-N 1 0 377.492 3.688 20 30 GHEDRO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001341833646 1060915937 /nfs/dbraw/zinc/91/59/37/1060915937.db2.gz XUZIZJHDSCYSCU-IBGZPJMESA-N 1 0 391.471 3.642 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001342171774 1061103690 /nfs/dbraw/zinc/10/36/90/1061103690.db2.gz GOVZETPMKZGVNO-PCCBWWKXSA-N 1 0 390.535 3.582 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3ocnc32)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342200765 1061128683 /nfs/dbraw/zinc/12/86/83/1061128683.db2.gz GXWAKFMYGLLRMK-UHFFFAOYSA-N 1 0 394.523 3.973 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001342210842 1061139394 /nfs/dbraw/zinc/13/93/94/1061139394.db2.gz ULCQMXGXRHGNQD-QZTJIDSGSA-N 1 0 377.554 3.508 20 30 GHEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C12CCC2 ZINC001454174086 1061638808 /nfs/dbraw/zinc/63/88/08/1061638808.db2.gz NWHIVOQDVIDNOH-VXKWHMMOSA-N 1 0 389.499 3.740 20 30 GHEDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(Br)cc3C#N)C2)c1 ZINC001454312371 1061711970 /nfs/dbraw/zinc/71/19/70/1061711970.db2.gz MFTPYTSCWUNQNC-SFHVURJKSA-N 1 0 398.304 3.634 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001454577173 1061855248 /nfs/dbraw/zinc/85/52/48/1061855248.db2.gz PVOUGFXZXVTGLZ-MRXNPFEDSA-N 1 0 378.259 3.603 20 30 GHEDRO Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1CC(C)(C)C1 ZINC001492877084 1061952876 /nfs/dbraw/zinc/95/28/76/1061952876.db2.gz UTCSTXFWULMAGY-UHFFFAOYSA-N 1 0 392.551 3.607 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 ZINC001455942924 1062362946 /nfs/dbraw/zinc/36/29/46/1062362946.db2.gz JBFFYVRNRWQPFP-UHFFFAOYSA-N 1 0 388.467 3.839 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(c2nnc([C@H](C)CCC#N)n2CC2CC2)CC1 ZINC001348122534 1062928285 /nfs/dbraw/zinc/92/82/85/1062928285.db2.gz YGECDEKWNXPJFB-GOSISDBHSA-N 1 0 384.572 3.940 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001348502052 1063143788 /nfs/dbraw/zinc/14/37/88/1063143788.db2.gz QCFUVZORPHNNRA-QZTJIDSGSA-N 1 0 398.580 3.860 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457737980 1063335852 /nfs/dbraw/zinc/33/58/52/1063335852.db2.gz DOUJJHKZOMCTRR-UHFFFAOYSA-N 1 0 376.504 3.958 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc(C(F)(F)F)cc(C#N)n2)cc1 ZINC001458497333 1063847954 /nfs/dbraw/zinc/84/79/54/1063847954.db2.gz PBBGZLAVAFBZNN-INIZCTEOSA-N 1 0 376.382 3.667 20 30 GHEDRO COc1ccccc1N1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)CC(C)C)C1=O ZINC001459385218 1064081830 /nfs/dbraw/zinc/08/18/30/1064081830.db2.gz XBXSXPOCKMJCJS-NRFANRHFSA-N 1 0 377.488 3.830 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1CC1CC1 ZINC001350482200 1064101797 /nfs/dbraw/zinc/10/17/97/1064101797.db2.gz OFLJKUHFWUSXMN-GHTZIAJQSA-N 1 0 392.551 3.806 20 30 GHEDRO C[C@@](O)(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC001459479600 1064109330 /nfs/dbraw/zinc/10/93/30/1064109330.db2.gz KULOPSRLWJSERW-ZCFIWIBFSA-N 1 0 383.201 3.752 20 30 GHEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC001459526619 1064120850 /nfs/dbraw/zinc/12/08/50/1064120850.db2.gz FCGBGDHDUQDXFL-NZQKXSOJSA-N 1 0 396.579 3.542 20 30 GHEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC001459768298 1064207215 /nfs/dbraw/zinc/20/72/15/1064207215.db2.gz HQPVIBOTQVDUGX-LADGPHEKSA-N 1 0 396.579 3.590 20 30 GHEDRO CN(CCC1CC[NH+](CCOc2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC001459773335 1064210569 /nfs/dbraw/zinc/21/05/69/1064210569.db2.gz HMKRQHSPDNSJIE-UHFFFAOYSA-N 1 0 387.524 3.906 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1 ZINC001463927944 1064724447 /nfs/dbraw/zinc/72/44/47/1064724447.db2.gz JCAOOBDOJXUVHE-GGAORHGYSA-N 1 0 396.556 3.700 20 30 GHEDRO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001351968790 1064737856 /nfs/dbraw/zinc/73/78/56/1064737856.db2.gz UAJBBMHEEDOJFW-MRXNPFEDSA-N 1 0 379.499 3.822 20 30 GHEDRO C=CCn1c(-c2ccc3cc[nH]c3c2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001352031448 1064778959 /nfs/dbraw/zinc/77/89/59/1064778959.db2.gz MNOSHJFBPIGMBL-ZCNNSNEGSA-N 1 0 390.535 3.779 20 30 GHEDRO C=CCn1c(-c2ccc(C[NH+]3CCC(OC)CC3)cc2)nnc1N1CC=CCC1 ZINC001352092780 1064830007 /nfs/dbraw/zinc/83/00/07/1064830007.db2.gz AWCDIBBHICFCBC-UHFFFAOYSA-N 1 0 393.535 3.508 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CC[N@H+]2CC[C@@H](F)C2)cc1 ZINC001464322234 1064954602 /nfs/dbraw/zinc/95/46/02/1064954602.db2.gz YYZZESIEJTZSRN-OAQYLSRUSA-N 1 0 383.442 3.660 20 30 GHEDRO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001464454222 1065019492 /nfs/dbraw/zinc/01/94/92/1065019492.db2.gz WLLDHUOFABUXEY-HXUWFJFHSA-N 1 0 399.535 3.570 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](O)c1ccccc1C(F)(F)F)C(C)C ZINC001464871309 1065253151 /nfs/dbraw/zinc/25/31/51/1065253151.db2.gz OFGVKTMRMZGDPL-MSOLQXFVSA-N 1 0 384.442 3.554 20 30 GHEDRO Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001492561748 1065843664 /nfs/dbraw/zinc/84/36/64/1065843664.db2.gz AQRNIKVPAGNCBV-GOSISDBHSA-N 1 0 392.551 3.866 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[NH+]1CCCC1 ZINC001300275585 1065906357 /nfs/dbraw/zinc/90/63/57/1065906357.db2.gz WRRAYNIERIWZCT-ROUUACIJSA-N 1 0 399.514 3.501 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001300295296 1065945242 /nfs/dbraw/zinc/94/52/42/1065945242.db2.gz FLLKGSFQIWRVLQ-OALUTQOASA-N 1 0 390.535 3.642 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CC[NH+](C(C)C)C(C)C ZINC001300316838 1065978984 /nfs/dbraw/zinc/97/89/84/1065978984.db2.gz FSHABJTXWUARIG-FQEVSTJZSA-N 1 0 381.568 3.640 20 30 GHEDRO COc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000847746074 1066016952 /nfs/dbraw/zinc/01/69/52/1066016952.db2.gz XUKRUTHOFBEODQ-UHFFFAOYSA-N 1 0 382.435 3.797 20 30 GHEDRO Cc1c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1CC(C)C ZINC000847746247 1066017906 /nfs/dbraw/zinc/01/79/06/1066017906.db2.gz BCYJNZRLMLCETK-UHFFFAOYSA-N 1 0 394.519 3.810 20 30 GHEDRO N#CC1(COC(=O)c2cc(-c3ccoc3)[nH]n2)CC[NH+](Cc2ccccc2)CC1 ZINC000847746136 1066019207 /nfs/dbraw/zinc/01/92/07/1066019207.db2.gz ZUXRZVDLDYUHHO-UHFFFAOYSA-N 1 0 390.443 3.632 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001466270600 1066066571 /nfs/dbraw/zinc/06/65/71/1066066571.db2.gz VFPDDTYFIBGYGT-QFIPXVFZSA-N 1 0 397.950 3.691 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001466343153 1066102481 /nfs/dbraw/zinc/10/24/81/1066102481.db2.gz KXZTUCVMZGSVQV-CHWSQXEVSA-N 1 0 384.402 3.699 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001300366637 1066114000 /nfs/dbraw/zinc/11/40/00/1066114000.db2.gz OCYZJTUZVSJPIW-RTWAWAEBSA-N 1 0 393.579 3.900 20 30 GHEDRO O=C1c2ccccc2C(NC(=S)NCC[NH+]2CCCCC2)=C1c1ccccc1 ZINC001200438614 1066223008 /nfs/dbraw/zinc/22/30/08/1066223008.db2.gz DVSZYUQSSYVMFC-UHFFFAOYSA-N 1 0 391.540 3.701 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC001466891233 1066371636 /nfs/dbraw/zinc/37/16/36/1066371636.db2.gz WXJUXKFFHKEYDL-UHFFFAOYSA-N 1 0 375.476 3.773 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC001467004736 1066441100 /nfs/dbraw/zinc/44/11/00/1066441100.db2.gz XITQUKVJKIZHOJ-GOSISDBHSA-N 1 0 389.459 3.532 20 30 GHEDRO COc1ccc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1C#N ZINC001467169600 1067116214 /nfs/dbraw/zinc/11/62/14/1067116214.db2.gz QYROMWHMCLQQIZ-UHFFFAOYSA-N 1 0 392.503 3.943 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC001467196926 1067143197 /nfs/dbraw/zinc/14/31/97/1067143197.db2.gz ZUKQFWUGKJCTNU-CRAIPNDOSA-N 1 0 396.457 3.973 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)Nc2cccc(CC#N)n2)[NH+](C)C)cc1 ZINC001467202058 1067148148 /nfs/dbraw/zinc/14/81/48/1067148148.db2.gz MHZGTWUUGABKGI-HXUWFJFHSA-N 1 0 379.508 3.771 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001477653514 1078510193 /nfs/dbraw/zinc/51/01/93/1078510193.db2.gz SWLWZSOXOCYWHK-HSZRJFAPSA-N 1 0 390.531 3.654 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)C(C)C ZINC001467660341 1067404902 /nfs/dbraw/zinc/40/49/02/1067404902.db2.gz NPBKWGPAKMZDPC-DOIPELPJSA-N 1 0 387.955 3.976 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCC[NH+]1CCCCC1 ZINC001358879689 1067592445 /nfs/dbraw/zinc/59/24/45/1067592445.db2.gz WIIFJKXAUJOUED-QGZVFWFLSA-N 1 0 385.943 3.932 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@@H+](C)CCCC ZINC001358881783 1067593532 /nfs/dbraw/zinc/59/35/32/1067593532.db2.gz NFXQZHRGNFWTCH-SFHVURJKSA-N 1 0 390.535 3.683 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@H+]1CCC ZINC001358886122 1067596709 /nfs/dbraw/zinc/59/67/09/1067596709.db2.gz YAEVGPQBDUYQOX-MSOLQXFVSA-N 1 0 390.535 3.759 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001358886300 1067597238 /nfs/dbraw/zinc/59/72/38/1067597238.db2.gz BGZXKXAFXTWYRQ-MOPGFXCFSA-N 1 0 379.552 3.914 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001358895310 1067601635 /nfs/dbraw/zinc/60/16/35/1067601635.db2.gz GZZNAWCMSOPWDE-FQEVSTJZSA-N 1 0 393.579 3.786 20 30 GHEDRO C#CCCCn1c(N2CC[NH+](C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001358936266 1067619959 /nfs/dbraw/zinc/61/99/59/1067619959.db2.gz IZBUSNKMTJCMSC-UHFFFAOYSA-N 1 0 391.563 3.692 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001359071360 1067671472 /nfs/dbraw/zinc/67/14/72/1067671472.db2.gz NPERMFGCIMUUGC-DYESRHJHSA-N 1 0 383.565 3.731 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001359112473 1067691269 /nfs/dbraw/zinc/69/12/69/1067691269.db2.gz KQZOFLLCUUYKLV-UXHICEINSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCCC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359112464 1067691334 /nfs/dbraw/zinc/69/13/34/1067691334.db2.gz KLWYSVMMCHKAQP-RTBURBONSA-N 1 0 389.588 3.837 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCCC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359112463 1067691434 /nfs/dbraw/zinc/69/14/34/1067691434.db2.gz KLWYSVMMCHKAQP-OALUTQOASA-N 1 0 389.588 3.837 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COCC)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001359116524 1067695012 /nfs/dbraw/zinc/69/50/12/1067695012.db2.gz OEIKZEVDDLWESO-LJQANCHMSA-N 1 0 397.567 3.664 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359130134 1067700030 /nfs/dbraw/zinc/70/00/30/1067700030.db2.gz ZOIGFYVTWRDUAQ-UHFFFAOYSA-N 1 0 397.567 3.624 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359166301 1067720081 /nfs/dbraw/zinc/72/00/81/1067720081.db2.gz NFXPEGIXNPUCIG-UHFFFAOYSA-N 1 0 397.954 3.941 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001359168788 1067722797 /nfs/dbraw/zinc/72/27/97/1067722797.db2.gz IWRJJGHMKSHSMM-UHFFFAOYSA-N 1 0 399.514 3.637 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1nccc(C(F)(F)F)n1 ZINC000849110475 1067733410 /nfs/dbraw/zinc/73/34/10/1067733410.db2.gz ZJNQIQHPJUOIJL-UHFFFAOYSA-N 1 0 379.430 3.839 20 30 GHEDRO C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359205045 1067777290 /nfs/dbraw/zinc/77/72/90/1067777290.db2.gz JTFHNLBEUMXDBV-OAQYLSRUSA-N 1 0 394.567 3.685 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC001468639032 1067801589 /nfs/dbraw/zinc/80/15/89/1067801589.db2.gz FMHIFNUFVLHWRW-OAQYLSRUSA-N 1 0 385.552 3.620 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2Cl)CC1 ZINC001468648118 1067805431 /nfs/dbraw/zinc/80/54/31/1067805431.db2.gz WNHMJBHGOWQJQQ-UHFFFAOYSA-N 1 0 386.721 3.552 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359231731 1067833488 /nfs/dbraw/zinc/83/34/88/1067833488.db2.gz DNLSSKTXHGBTNC-DLBZAZTESA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C)o2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001359234185 1067837451 /nfs/dbraw/zinc/83/74/51/1067837451.db2.gz HEPATAPGWQCALS-UHFFFAOYSA-N 1 0 379.508 3.969 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001359250799 1067900594 /nfs/dbraw/zinc/90/05/94/1067900594.db2.gz UQSMFSHMSAUWRB-CTNGQTDRSA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001359250202 1067900638 /nfs/dbraw/zinc/90/06/38/1067900638.db2.gz DYKCNKRXEMEOKT-IEBWSBKVSA-N 1 0 385.512 3.570 20 30 GHEDRO C=CCCc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849585532 1067914544 /nfs/dbraw/zinc/91/45/44/1067914544.db2.gz DAWDMVUIQIISIC-RTWAWAEBSA-N 1 0 380.536 3.991 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359271543 1067938381 /nfs/dbraw/zinc/93/83/81/1067938381.db2.gz XOMFHWCCUUAWJL-PMACEKPBSA-N 1 0 387.572 3.963 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001359276111 1067945501 /nfs/dbraw/zinc/94/55/01/1067945501.db2.gz SDSXWMYKJDSYHZ-SFHVURJKSA-N 1 0 385.556 3.746 20 30 GHEDRO C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359278451 1067948794 /nfs/dbraw/zinc/94/87/94/1067948794.db2.gz VGMWKERWXLCHHH-INIZCTEOSA-N 1 0 391.585 3.579 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(C2CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359473171 1068068513 /nfs/dbraw/zinc/06/85/13/1068068513.db2.gz YAYDIOPKXAAAKA-SFHVURJKSA-N 1 0 392.551 3.786 20 30 GHEDRO CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001359690347 1068135097 /nfs/dbraw/zinc/13/50/97/1068135097.db2.gz GQRRARLGPDIPKM-QGZVFWFLSA-N 1 0 378.524 3.517 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21)[NH+](C)C ZINC001359766100 1068176106 /nfs/dbraw/zinc/17/61/06/1068176106.db2.gz IBUCPNPOQINXTK-NJDAHSKKSA-N 1 0 392.551 3.782 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001360283110 1068438170 /nfs/dbraw/zinc/43/81/70/1068438170.db2.gz GXIHJUSSHVLZLM-UHFFFAOYSA-N 1 0 377.488 3.873 20 30 GHEDRO C=C[C@@H](COC)NC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001469894328 1068454806 /nfs/dbraw/zinc/45/48/06/1068454806.db2.gz HFBFHJOKYRSYES-FCHUYYIVSA-N 1 0 387.568 3.562 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001360465211 1068517401 /nfs/dbraw/zinc/51/74/01/1068517401.db2.gz OQPJPGRJLNCATN-FQEVSTJZSA-N 1 0 378.516 3.917 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2C[C@]1(C)CCC2)[NH+](C)C ZINC001360539887 1068549954 /nfs/dbraw/zinc/54/99/54/1068549954.db2.gz BUALRRWCZCVNSQ-CDMIOBSGSA-N 1 0 378.524 3.536 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1C#N ZINC001478228413 1078775055 /nfs/dbraw/zinc/77/50/55/1078775055.db2.gz GFVNDRNSDHIYOC-AZUAARDMSA-N 1 0 398.507 3.664 20 30 GHEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccccc1C#N ZINC001460277352 1068903029 /nfs/dbraw/zinc/90/30/29/1068903029.db2.gz OKTZEZDWHGKIKN-IBGZPJMESA-N 1 0 392.421 3.881 20 30 GHEDRO CC(C)O[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC001460346224 1068935398 /nfs/dbraw/zinc/93/53/98/1068935398.db2.gz YNKFYNZEHWRPCP-HOTGVXAUSA-N 1 0 389.565 3.963 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001460950387 1069293619 /nfs/dbraw/zinc/29/36/19/1069293619.db2.gz QJCAPIMWYZJRMV-NFBKMPQASA-N 1 0 399.535 3.847 20 30 GHEDRO C=CCCSCCNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001478487503 1078888626 /nfs/dbraw/zinc/88/86/26/1078888626.db2.gz MKMRWDYGQLUPNQ-INIZCTEOSA-N 1 0 389.487 3.917 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC001470664035 1072675752 /nfs/dbraw/zinc/67/57/52/1072675752.db2.gz YQEHZAYJBDCNLS-QHCPKHFHSA-N 1 0 375.516 3.711 20 30 GHEDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC001472331689 1073427878 /nfs/dbraw/zinc/42/78/78/1073427878.db2.gz WEFQZMVMCPHILY-WBVHZDCISA-N 1 0 390.325 3.656 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC001479105339 1079105694 /nfs/dbraw/zinc/10/56/94/1079105694.db2.gz VKZKDPINCFUJPT-KGVIQGDOSA-N 1 0 376.504 3.687 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC001472666551 1073605036 /nfs/dbraw/zinc/60/50/36/1073605036.db2.gz BATBTSJXPFZRED-FRRDWIJNSA-N 1 0 376.426 3.724 20 30 GHEDRO C[C@@H]1CCN(c2cc(C#N)c(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001472709805 1073628735 /nfs/dbraw/zinc/62/87/35/1073628735.db2.gz XGBLZHNTGAWERP-OAHLLOKOSA-N 1 0 385.309 3.817 20 30 GHEDRO COC(=O)c1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc(C(=O)OC)c1 ZINC001473130522 1073796731 /nfs/dbraw/zinc/79/67/31/1073796731.db2.gz UJCZKYDCKJPTRQ-UHFFFAOYSA-N 1 0 394.471 3.790 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC001473367566 1073936408 /nfs/dbraw/zinc/93/64/08/1073936408.db2.gz XLHLSIFWNPKBSO-MRXNPFEDSA-N 1 0 383.455 3.617 20 30 GHEDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC001473485116 1073984801 /nfs/dbraw/zinc/98/48/01/1073984801.db2.gz VVNIKOPIUPIWSY-AVRDEDQJSA-N 1 0 386.540 3.823 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CC[C@H]1Sc2ccccc2NC1=O ZINC001473517858 1073998574 /nfs/dbraw/zinc/99/85/74/1073998574.db2.gz ZTZNLRWGZLTYNG-HXUWFJFHSA-N 1 0 381.501 3.510 20 30 GHEDRO N#CC1(CCCC[NH2+][C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)CCC1 ZINC001473627084 1074057455 /nfs/dbraw/zinc/05/74/55/1074057455.db2.gz UNCURKHFMOTUSU-MRXNPFEDSA-N 1 0 379.426 3.960 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001473637908 1074062046 /nfs/dbraw/zinc/06/20/46/1074062046.db2.gz MQLFBOINZNWFAY-CJNGLKHVSA-N 1 0 398.288 3.954 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001473731931 1074113657 /nfs/dbraw/zinc/11/36/57/1074113657.db2.gz KEDKYRKLKJTXOR-GOSISDBHSA-N 1 0 376.504 3.660 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CCCOC1 ZINC001473747625 1074121137 /nfs/dbraw/zinc/12/11/37/1074121137.db2.gz RWFVVMYJVOMQCW-RKVPGOIHSA-N 1 0 389.565 3.868 20 30 GHEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl)C(C)C ZINC001473927362 1074206395 /nfs/dbraw/zinc/20/63/95/1074206395.db2.gz JTUVZBMXTPSMEL-SFHVURJKSA-N 1 0 375.948 3.718 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc4ccc(F)cc4[nH]c3=O)CC2)nc1 ZINC001474070322 1074254108 /nfs/dbraw/zinc/25/41/08/1074254108.db2.gz MZINJNGSWVYRPY-UHFFFAOYSA-N 1 0 392.434 3.826 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001474266649 1074318300 /nfs/dbraw/zinc/31/83/00/1074318300.db2.gz XVSJLIOLNCWKJG-NSHDSACASA-N 1 0 393.222 3.794 20 30 GHEDRO CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001474367619 1074366800 /nfs/dbraw/zinc/36/68/00/1074366800.db2.gz JDYBDQKPLSGZDC-UHFFFAOYSA-N 1 0 386.540 3.621 20 30 GHEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001474716915 1074531244 /nfs/dbraw/zinc/53/12/44/1074531244.db2.gz DVEQGLOHEGAAEA-XLCPLWEUSA-N 1 0 377.448 3.841 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001493649258 1079285807 /nfs/dbraw/zinc/28/58/07/1079285807.db2.gz AMKYXPOEINWOID-ZWKOTPCHSA-N 1 0 383.544 3.666 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCC(C)CC1 ZINC001493865990 1079304707 /nfs/dbraw/zinc/30/47/07/1079304707.db2.gz MSKKEVPTALLTPV-GCJKJVERSA-N 1 0 384.572 3.796 20 30 GHEDRO CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001494074907 1079321236 /nfs/dbraw/zinc/32/12/36/1079321236.db2.gz UVNGYFMDIAVFLV-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001475798603 1075023901 /nfs/dbraw/zinc/02/39/01/1075023901.db2.gz LPLBORVLCLNVBO-UHFFFAOYSA-N 1 0 391.562 3.623 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001476058974 1075077351 /nfs/dbraw/zinc/07/73/51/1075077351.db2.gz ATRQEYQKHALCHQ-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001476200291 1075102579 /nfs/dbraw/zinc/10/25/79/1075102579.db2.gz HSMRYOMKAYZWDI-UHFFFAOYSA-N 1 0 381.480 3.941 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001495122498 1079384633 /nfs/dbraw/zinc/38/46/33/1079384633.db2.gz QXRIVNXXQIRJFQ-SFHVURJKSA-N 1 0 378.524 3.562 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001496122020 1079457466 /nfs/dbraw/zinc/45/74/66/1079457466.db2.gz HFPLSWYQKPZGJT-KURKYZTESA-N 1 0 380.540 3.639 20 30 GHEDRO CC[C@H](Cn1c(C)nnc1N1CCC(C)(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001497178900 1079485268 /nfs/dbraw/zinc/48/52/68/1079485268.db2.gz CLAFFOCYUNFZEH-OAQYLSRUSA-N 1 0 392.551 3.554 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001497832236 1079518480 /nfs/dbraw/zinc/51/84/80/1079518480.db2.gz GIHOTLMLHGEGGG-IBGZPJMESA-N 1 0 394.567 3.978 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001500935459 1079621043 /nfs/dbraw/zinc/62/10/43/1079621043.db2.gz CEQSNNIVHFYAAC-GOSISDBHSA-N 1 0 395.555 3.509 20 30 GHEDRO CC(C)(C#N)CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000735572040 599122720 /nfs/dbraw/zinc/12/27/20/599122720.db2.gz OZQJKGJXHNYWSM-UHFFFAOYSA-N 1 0 378.455 3.948 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828266276 601300493 /nfs/dbraw/zinc/30/04/93/601300493.db2.gz RLLJYGDVNOIAQD-HTAPYJJXSA-N 1 0 377.488 3.706 20 30 GHEDRO N#Cc1ccc([C@@H](C(=O)[O-])[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000833072612 601355201 /nfs/dbraw/zinc/35/52/01/601355201.db2.gz VXEYNLXMYPXBIL-UPVQGACJSA-N 1 0 389.499 3.672 20 30 GHEDRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000825319143 608547924 /nfs/dbraw/zinc/54/79/24/608547924.db2.gz ZSSBNIPNWQVEDU-UHFFFAOYSA-N 1 0 389.507 3.629 20 30 GHEDRO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434670 608549968 /nfs/dbraw/zinc/54/99/68/608549968.db2.gz DJMUWCRKAKVPMQ-HOTGVXAUSA-N 1 0 376.464 3.741 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825038736 609341560 /nfs/dbraw/zinc/34/15/60/609341560.db2.gz HDQIXBAXTSNQHR-CJNGLKHVSA-N 1 0 380.427 3.538 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627966 719052377 /nfs/dbraw/zinc/05/23/77/719052377.db2.gz WTQDZRCHEBJPDQ-RDJZCZTQSA-N 1 0 399.951 3.824 20 30 GHEDRO CCCc1cc(C#N)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164724698 720398060 /nfs/dbraw/zinc/39/80/60/720398060.db2.gz KWTQQDLOAKJIKC-MOPGFXCFSA-N 1 0 381.911 3.807 20 30 GHEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)ncc1C#N ZINC001164735850 720545824 /nfs/dbraw/zinc/54/58/24/720545824.db2.gz SJOIPCPEKOSGPA-CQSZACIVSA-N 1 0 398.885 3.668 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(Cl)c1C#N)CC2 ZINC001164792109 721492543 /nfs/dbraw/zinc/49/25/43/721492543.db2.gz GTNACZLBTIHAOJ-UHFFFAOYSA-N 1 0 381.911 3.883 20 30 GHEDRO N#CC1(c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2)CCC1 ZINC001164953170 722017374 /nfs/dbraw/zinc/01/73/74/722017374.db2.gz SJPKIYPMEOECJA-UHFFFAOYSA-N 1 0 387.531 3.914 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC3(CC[N@H+](Cc4cccnc4)C3)CC1)CCCC2 ZINC001164957982 722024890 /nfs/dbraw/zinc/02/48/90/722024890.db2.gz CQFYUKWCNBLXSI-UHFFFAOYSA-N 1 0 387.531 3.720 20 30 GHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000376468258 837446003 /nfs/dbraw/zinc/44/60/03/837446003.db2.gz JSCIUURDQYFHSX-YLJYHZDGSA-N 1 0 394.519 3.613 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180815143 837572744 /nfs/dbraw/zinc/57/27/44/837572744.db2.gz SILUAYHLMUIGEG-UHFFFAOYSA-N 1 0 393.491 3.779 20 30 GHEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Cc1cccs1 ZINC000175764376 837577862 /nfs/dbraw/zinc/57/78/62/837577862.db2.gz RHSUQIZMQDESDY-QGZVFWFLSA-N 1 0 384.549 3.572 20 30 GHEDRO CCCc1c(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cnn1-c1cccc(C#N)c1 ZINC000376257283 837735465 /nfs/dbraw/zinc/73/54/65/837735465.db2.gz ILMIOMSJCZHLII-GOSISDBHSA-N 1 0 394.523 3.502 20 30 GHEDRO C[NH+](C)CCCOC1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000176814822 837752162 /nfs/dbraw/zinc/75/21/62/837752162.db2.gz XRCMQFPXJGRXSK-UHFFFAOYSA-N 1 0 390.890 3.836 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000583492858 834493271 /nfs/dbraw/zinc/49/32/71/834493271.db2.gz XOZWXFBWANHIRV-QFIPXVFZSA-N 1 0 389.499 3.926 20 30 GHEDRO COc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2ccccc2n1 ZINC000329793662 834517628 /nfs/dbraw/zinc/51/76/28/834517628.db2.gz BIGKBBFCKGCRED-MSOLQXFVSA-N 1 0 382.508 3.605 20 30 GHEDRO CCOc1cccc2cc([C@H](C)NC(N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)=[NH+]C)oc21 ZINC000262392897 834597571 /nfs/dbraw/zinc/59/75/71/834597571.db2.gz MLXPFAWRJFNMIT-DZXDFRQDSA-N 1 0 385.508 3.871 20 30 GHEDRO C=CCOCCCC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000547945465 837794455 /nfs/dbraw/zinc/79/44/55/837794455.db2.gz WKQXMVKZJPOTOJ-FQEVSTJZSA-N 1 0 380.479 3.979 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)C1 ZINC000329272176 834690908 /nfs/dbraw/zinc/69/09/08/834690908.db2.gz ACAADSLRTZXYIC-ZTNFWEORSA-N 1 0 391.943 3.936 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000579796667 834777951 /nfs/dbraw/zinc/77/79/51/834777951.db2.gz IFQHNSDXZVGVHN-UHFFFAOYSA-N 1 0 388.924 3.814 20 30 GHEDRO C=CCNc1ncc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000246007315 834779518 /nfs/dbraw/zinc/77/95/18/834779518.db2.gz QMMWJAAJXCEMRJ-CJNGLKHVSA-N 1 0 376.551 3.615 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246335253 834864215 /nfs/dbraw/zinc/86/42/15/834864215.db2.gz GLPHQWLWRDATPZ-FXAWDEMLSA-N 1 0 382.470 3.784 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc2)cc1 ZINC000583740450 834967520 /nfs/dbraw/zinc/96/75/20/834967520.db2.gz KQPHIOURMHDSDB-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000433322715 844013131 /nfs/dbraw/zinc/01/31/31/844013131.db2.gz RPQRGBYYNHPDJV-UHFFFAOYSA-N 1 0 390.491 3.721 20 30 GHEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000583830825 835116457 /nfs/dbraw/zinc/11/64/57/835116457.db2.gz WGOURJRCCFSSGA-IBGZPJMESA-N 1 0 379.508 3.982 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000052660868 835205452 /nfs/dbraw/zinc/20/54/52/835205452.db2.gz NSGFCXVFJBXJAR-ICSRJNTNSA-N 1 0 386.540 3.606 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)NC(C2CC2)C2CC2)cc1 ZINC000274786212 835245003 /nfs/dbraw/zinc/24/50/03/835245003.db2.gz PCZMUSCSSMRXDS-UHFFFAOYSA-O 1 0 398.552 3.858 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157576200 835247945 /nfs/dbraw/zinc/24/79/45/835247945.db2.gz BGLWJHQIBRGSEE-INIZCTEOSA-N 1 0 385.464 3.682 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658121613 835447947 /nfs/dbraw/zinc/44/79/47/835447947.db2.gz PDEQZCHOJZJWQZ-KRWDZBQOSA-N 1 0 385.552 3.714 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N[C@H](C#N)c1cccc(Br)c1)c1ccccc1 ZINC000433369933 844057295 /nfs/dbraw/zinc/05/72/95/844057295.db2.gz BBIUECRAVOIGFX-QZTJIDSGSA-N 1 0 386.293 3.823 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3ccsc3)C2)c(F)c1 ZINC000547704353 835503338 /nfs/dbraw/zinc/50/33/38/835503338.db2.gz ANQXXKQJCVFXHD-QGZVFWFLSA-N 1 0 381.480 3.908 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278595172 835510538 /nfs/dbraw/zinc/51/05/38/835510538.db2.gz HJXWASSOUSGCQQ-IBGZPJMESA-N 1 0 394.567 3.849 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179493120 835586137 /nfs/dbraw/zinc/58/61/37/835586137.db2.gz YJYIUQHBOZPGPR-INIZCTEOSA-N 1 0 390.409 3.812 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccc(C)cc1 ZINC000274832108 835678064 /nfs/dbraw/zinc/67/80/64/835678064.db2.gz ZWFNBBFNGSIKMV-UHFFFAOYSA-O 1 0 385.509 3.728 20 30 GHEDRO CCC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000052825969 835686783 /nfs/dbraw/zinc/68/67/83/835686783.db2.gz DWDBCYLEWAOLFJ-GOSISDBHSA-N 1 0 379.504 3.998 20 30 GHEDRO CN1c2ccc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000274909279 835803331 /nfs/dbraw/zinc/80/33/31/835803331.db2.gz PTFWFKMZSSUYKJ-UHFFFAOYSA-N 1 0 375.472 3.511 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000188275836 835872041 /nfs/dbraw/zinc/87/20/41/835872041.db2.gz YTMDWOHGFQLVSN-JOCHJYFZSA-N 1 0 387.524 3.668 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134799039 835998529 /nfs/dbraw/zinc/99/85/29/835998529.db2.gz MACZKTDFXNSBDC-SFTDATJTSA-N 1 0 381.451 3.614 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)c1C#N ZINC000179862925 836097623 /nfs/dbraw/zinc/09/76/23/836097623.db2.gz WVJIDIBDVZDUEC-INIZCTEOSA-N 1 0 386.540 3.825 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)CCCCOc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000134882630 836158982 /nfs/dbraw/zinc/15/89/82/836158982.db2.gz CLPLMSGFHRJJDA-UGKGYDQZSA-N 1 0 391.515 3.887 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000092644431 844143208 /nfs/dbraw/zinc/14/32/08/844143208.db2.gz VXPCZWZREVXQJN-UHFFFAOYSA-N 1 0 384.545 3.884 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c1 ZINC000613389147 836255047 /nfs/dbraw/zinc/25/50/47/836255047.db2.gz JJNPAFZSSAGPHG-SXWKCWPCSA-N 1 0 393.531 3.693 20 30 GHEDRO Cc1cc(C)cc(OCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930059 836256795 /nfs/dbraw/zinc/25/67/95/836256795.db2.gz MOMBGYXGBDLDNJ-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187256790 836358456 /nfs/dbraw/zinc/35/84/56/836358456.db2.gz ROPASZJRNLAACU-MBSDFSHPSA-N 1 0 379.504 3.915 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000613429610 836377599 /nfs/dbraw/zinc/37/75/99/836377599.db2.gz YKXKWWGCYTULTC-HXUWFJFHSA-N 1 0 378.520 3.820 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000548938306 836379995 /nfs/dbraw/zinc/37/99/95/836379995.db2.gz OYFYIXLCLYGBEC-PMACEKPBSA-N 1 0 394.567 3.925 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000414175691 836408121 /nfs/dbraw/zinc/40/81/21/836408121.db2.gz HQPQEZNNIAIAGV-CZUORRHYSA-N 1 0 391.284 3.962 20 30 GHEDRO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188650295 836525667 /nfs/dbraw/zinc/52/56/67/836525667.db2.gz KYLZWVBKVIYZLC-UHFFFAOYSA-N 1 0 381.863 3.924 20 30 GHEDRO COc1cc(OC)c(OC)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000179988695 836533894 /nfs/dbraw/zinc/53/38/94/836533894.db2.gz HHNTUHJNIDNQEU-UHFFFAOYSA-N 1 0 381.476 3.661 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001209432855 836536222 /nfs/dbraw/zinc/53/62/22/836536222.db2.gz LBXPPPZIJQIGCR-GOSISDBHSA-N 1 0 390.524 3.653 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000179997445 836567862 /nfs/dbraw/zinc/56/78/62/836567862.db2.gz BETHNEBBNXWSLP-HTAPYJJXSA-N 1 0 385.471 3.590 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000075270695 836608077 /nfs/dbraw/zinc/60/80/77/836608077.db2.gz ZZVOHDWJQUYPIB-SFHVURJKSA-N 1 0 376.504 3.580 20 30 GHEDRO CCS[C@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000175007528 836624498 /nfs/dbraw/zinc/62/44/98/836624498.db2.gz JDSLTJGGZWTLDQ-UXHICEINSA-N 1 0 388.581 3.696 20 30 GHEDRO CCS[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000175007496 836624799 /nfs/dbraw/zinc/62/47/99/836624799.db2.gz JDSLTJGGZWTLDQ-PMACEKPBSA-N 1 0 388.581 3.696 20 30 GHEDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000537951608 836758791 /nfs/dbraw/zinc/75/87/91/836758791.db2.gz UYNHZWMMGPXEQO-FUXBKTLASA-N 1 0 379.272 3.853 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000120128342 836814158 /nfs/dbraw/zinc/81/41/58/836814158.db2.gz XQVYQEZQMCSILQ-UHFFFAOYSA-N 1 0 383.517 3.507 20 30 GHEDRO C=C(C)C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1cnn(C(C)C)c1 ZINC000512542731 844204319 /nfs/dbraw/zinc/20/43/19/844204319.db2.gz UGDQVGCJOGLTIW-UHFFFAOYSA-N 1 0 394.519 3.919 20 30 GHEDRO C=CCOCC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000310637013 836822576 /nfs/dbraw/zinc/82/25/76/836822576.db2.gz ABFMKNZUCMVIJR-UHFFFAOYSA-N 1 0 379.092 3.512 20 30 GHEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000612852057 836881142 /nfs/dbraw/zinc/88/11/42/836881142.db2.gz ZQWZAPSNHXEIPG-UHFFFAOYSA-N 1 0 378.314 3.502 20 30 GHEDRO CC(C)C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCc1ccc(F)cc1 ZINC001167241357 837010465 /nfs/dbraw/zinc/01/04/65/837010465.db2.gz ZFPREGIPUSMTMU-UHFFFAOYSA-N 1 0 392.474 3.626 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccccc1 ZINC000027317519 837042624 /nfs/dbraw/zinc/04/26/24/837042624.db2.gz WYEBMVZQKNZIHJ-UHFFFAOYSA-O 1 0 398.552 3.897 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000376447622 837296972 /nfs/dbraw/zinc/29/69/72/837296972.db2.gz GQTBLAPVZDPZLC-JOCHJYFZSA-N 1 0 381.426 3.575 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549320590 837868250 /nfs/dbraw/zinc/86/82/50/837868250.db2.gz BYTRLTUUPUTNHM-IBGZPJMESA-N 1 0 378.524 3.561 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415799297 838116854 /nfs/dbraw/zinc/11/68/54/838116854.db2.gz CARZQWYYNHGDDZ-UHFFFAOYSA-N 1 0 394.313 3.621 20 30 GHEDRO C[NH+]1CCC2(CCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000893122456 838175680 /nfs/dbraw/zinc/17/56/80/838175680.db2.gz XSODZDRUSLIMMW-UHFFFAOYSA-N 1 0 380.517 3.666 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000146925735 838206810 /nfs/dbraw/zinc/20/68/10/838206810.db2.gz VTQSMWBYADUKHO-RTWAWAEBSA-N 1 0 381.907 3.906 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000201168815 838266135 /nfs/dbraw/zinc/26/61/35/838266135.db2.gz PUEJHQOQMJGLFR-IBGZPJMESA-N 1 0 375.472 3.659 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2ccccc2n1CC#N ZINC000610310599 838324878 /nfs/dbraw/zinc/32/48/78/838324878.db2.gz IYNQMYAWBBRBFK-FQEVSTJZSA-N 1 0 386.499 3.759 20 30 GHEDRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000189673628 838356143 /nfs/dbraw/zinc/35/61/43/838356143.db2.gz OXJLZVRRAHFIDO-JOCHJYFZSA-N 1 0 386.540 3.657 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000511535727 838382800 /nfs/dbraw/zinc/38/28/00/838382800.db2.gz YMPKMYCNGCBKTG-UHFFFAOYSA-N 1 0 383.467 3.712 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000610323067 838444752 /nfs/dbraw/zinc/44/47/52/838444752.db2.gz RQSAUTUWCMUDSP-HNAYVOBHSA-N 1 0 384.505 3.833 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000782968020 838561693 /nfs/dbraw/zinc/56/16/93/838561693.db2.gz VFLYVSQCWWVSST-UHFFFAOYSA-N 1 0 379.909 3.609 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)CC1 ZINC000134106414 838566144 /nfs/dbraw/zinc/56/61/44/838566144.db2.gz LNQVZUGMWLOUPA-CYBMUJFWSA-N 1 0 393.409 3.542 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc(OC)c1OC ZINC000579294040 838581791 /nfs/dbraw/zinc/58/17/91/838581791.db2.gz CYXJOZFMFZECIC-UHFFFAOYSA-N 1 0 380.366 3.893 20 30 GHEDRO CC[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000610347704 838590219 /nfs/dbraw/zinc/59/02/19/838590219.db2.gz HVGZHUMFJKNQQF-JTSKRJEESA-N 1 0 376.504 3.755 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000610348408 838591926 /nfs/dbraw/zinc/59/19/26/838591926.db2.gz IDRRMGGOLNSOKY-SFHVURJKSA-N 1 0 376.504 3.892 20 30 GHEDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610349323 838596126 /nfs/dbraw/zinc/59/61/26/838596126.db2.gz BMDIRMMVAPHESP-NQIIRXRSSA-N 1 0 376.504 3.831 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610355619 838651857 /nfs/dbraw/zinc/65/18/57/838651857.db2.gz AQFIDZBGTOSDLG-MOPGFXCFSA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2cc(C#N)cs2)c2c(F)cccc2Cl)CCO1 ZINC000177685601 838658582 /nfs/dbraw/zinc/65/85/82/838658582.db2.gz UQSSXFVFQOSGIV-ACJLOTCBSA-N 1 0 393.915 3.964 20 30 GHEDRO COc1ccccc1NC(=O)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000177705685 838832891 /nfs/dbraw/zinc/83/28/91/838832891.db2.gz GOBCHFWTQITWEA-UHFFFAOYSA-N 1 0 393.487 3.686 20 30 GHEDRO N#Cc1csc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000177706616 838834482 /nfs/dbraw/zinc/83/44/82/838834482.db2.gz ASBSBMIOSIRIHA-INIZCTEOSA-N 1 0 377.416 3.506 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000579449605 838837796 /nfs/dbraw/zinc/83/77/96/838837796.db2.gz KTPMAYYLLGNUCO-NRFANRHFSA-N 1 0 378.501 3.927 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000023741409 838843747 /nfs/dbraw/zinc/84/37/47/838843747.db2.gz RRGKWZXEWXURNH-NRFANRHFSA-N 1 0 394.515 3.999 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c(OC2CCCC2)c1 ZINC000177717097 838891458 /nfs/dbraw/zinc/89/14/58/838891458.db2.gz QAMWMVUVIVPTAU-UHFFFAOYSA-N 1 0 376.460 3.826 20 30 GHEDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000181594881 839154083 /nfs/dbraw/zinc/15/40/83/839154083.db2.gz XFZQDLHALXJTTI-QGZVFWFLSA-N 1 0 377.488 3.912 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050090915 839157186 /nfs/dbraw/zinc/15/71/86/839157186.db2.gz LCZQKCVLDMUXNS-LJQANCHMSA-N 1 0 378.476 3.601 20 30 GHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000415075551 839162574 /nfs/dbraw/zinc/16/25/74/839162574.db2.gz BPUBWICNNSCPFS-QGZVFWFLSA-N 1 0 380.448 3.575 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000415076160 839164490 /nfs/dbraw/zinc/16/44/90/839164490.db2.gz COILBBNUXHTYJB-UHFFFAOYSA-N 1 0 380.448 3.562 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)cc1 ZINC000415077048 839166311 /nfs/dbraw/zinc/16/63/11/839166311.db2.gz DLGWMLYXGLXEOG-NRFANRHFSA-N 1 0 382.464 3.854 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415121868 839243027 /nfs/dbraw/zinc/24/30/27/839243027.db2.gz KZEMLXWRQRHFFD-OXQOHEQNSA-N 1 0 378.476 3.647 20 30 GHEDRO Cc1nnc(-c2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)n1C ZINC000378511654 839256072 /nfs/dbraw/zinc/25/60/72/839256072.db2.gz BIIFHZKDMVPLHA-UHFFFAOYSA-N 1 0 386.503 3.739 20 30 GHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000415129681 839256984 /nfs/dbraw/zinc/25/69/84/839256984.db2.gz VIKUPKPSUZTMKG-LJQANCHMSA-N 1 0 378.476 3.661 20 30 GHEDRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541120670 839336685 /nfs/dbraw/zinc/33/66/85/839336685.db2.gz OFRFBNVIINDPEJ-GOSISDBHSA-N 1 0 394.519 3.554 20 30 GHEDRO N#Cc1ccc(CC[N@@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC001167715561 839352907 /nfs/dbraw/zinc/35/29/07/839352907.db2.gz ALSCDYDMZYWVLZ-UHFFFAOYSA-N 1 0 399.494 3.667 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(CCCO)CC2)sc2c1CCCCC2 ZINC000541129516 839369067 /nfs/dbraw/zinc/36/90/67/839369067.db2.gz FNGFRZIOLPQIOW-UHFFFAOYSA-N 1 0 389.565 3.702 20 30 GHEDRO N#Cc1ccc(NC(=O)N(CC[NH3+])CCc2ccccc2)cc1C(F)(F)F ZINC000415208392 839385928 /nfs/dbraw/zinc/38/59/28/839385928.db2.gz GNINHNSDEJJWCE-UHFFFAOYSA-N 1 0 376.382 3.612 20 30 GHEDRO CSc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)cc1 ZINC000174127927 839464445 /nfs/dbraw/zinc/46/44/45/839464445.db2.gz LDPHWNBDAUQGOM-UHFFFAOYSA-N 1 0 398.532 3.674 20 30 GHEDRO CCOC(=O)c1ccc2c(c1)nc(CN(C)Cc1cccc(C#N)c1)n2CC ZINC000472769615 839520678 /nfs/dbraw/zinc/52/06/78/839520678.db2.gz JFKXMOFMWIOYFR-UHFFFAOYSA-N 1 0 376.460 3.737 20 30 GHEDRO CN(C)C1(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC1 ZINC000445855212 839535339 /nfs/dbraw/zinc/53/53/39/839535339.db2.gz FTWAIWASSYUGBY-UHFFFAOYSA-N 1 0 388.581 3.633 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[NH+]2CCCC2)o1 ZINC000416698351 839547500 /nfs/dbraw/zinc/54/75/00/839547500.db2.gz WDIZCZXVVQIBAU-RTWAWAEBSA-N 1 0 392.503 3.973 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000569332994 839619414 /nfs/dbraw/zinc/61/94/14/839619414.db2.gz MTSSJXADEBBFGJ-RHSMWYFYSA-N 1 0 376.909 3.874 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000537006868 839675225 /nfs/dbraw/zinc/67/52/25/839675225.db2.gz APVHDXJQYLOTJC-UHFFFAOYSA-N 1 0 378.520 3.954 20 30 GHEDRO Cc1cc(C(=O)CON=C(N)c2ccc(C)c(F)c2)c(C)n1CC(F)(F)F ZINC000122562877 839708060 /nfs/dbraw/zinc/70/80/60/839708060.db2.gz PKTRHDCHEKOLAU-UHFFFAOYSA-N 1 0 385.361 3.635 20 30 GHEDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000548125737 839992309 /nfs/dbraw/zinc/99/23/09/839992309.db2.gz OGDADQLXLBMVQM-LJQANCHMSA-N 1 0 381.476 3.677 20 30 GHEDRO [NH2+]=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccccc1OC(F)(F)F ZINC000160604925 840039593 /nfs/dbraw/zinc/03/95/93/840039593.db2.gz NUEVFGCLSSYLGP-CQSZACIVSA-N 1 0 382.386 3.742 20 30 GHEDRO N#Cc1ccc2ncc(CN3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)n2c1 ZINC000537628872 840064769 /nfs/dbraw/zinc/06/47/69/840064769.db2.gz IPHCHBNOIWFANJ-DEOSSOPVSA-N 1 0 385.515 3.694 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)s1 ZINC000046995777 840112579 /nfs/dbraw/zinc/11/25/79/840112579.db2.gz OERGFRIYCOTCFU-UHFFFAOYSA-N 1 0 376.913 3.547 20 30 GHEDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cn2)CCO1 ZINC000580749612 840129011 /nfs/dbraw/zinc/12/90/11/840129011.db2.gz KEXNFAFBYKPRLP-VGOFRKELSA-N 1 0 376.504 3.736 20 30 GHEDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512552786 844510518 /nfs/dbraw/zinc/51/05/18/844510518.db2.gz UORQSHDAFWNBFK-QFIPXVFZSA-N 1 0 391.515 3.875 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNc2nc3ccccn3c2C#N)cc1OC ZINC000584583695 840249762 /nfs/dbraw/zinc/24/97/62/840249762.db2.gz STQLWHJTSSBITH-UHFFFAOYSA-N 1 0 393.491 3.547 20 30 GHEDRO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCc2sccc2C1 ZINC000160674461 840378104 /nfs/dbraw/zinc/37/81/04/840378104.db2.gz KPQWIKFKBGRBJI-GFCCVEGCSA-N 1 0 398.454 3.820 20 30 GHEDRO N#CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000155944421 840511184 /nfs/dbraw/zinc/51/11/84/840511184.db2.gz XUAXKIINXMUJBX-UNMCSNQZSA-N 1 0 389.499 3.716 20 30 GHEDRO CCc1cccc(NC(=O)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160707219 840520455 /nfs/dbraw/zinc/52/04/55/840520455.db2.gz YADAGIWDXTYMBM-UHFFFAOYSA-N 1 0 380.370 3.513 20 30 GHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000584706529 840624637 /nfs/dbraw/zinc/62/46/37/840624637.db2.gz BVZKAIHZIJBDOK-COXVUDFISA-N 1 0 375.538 3.620 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000511784055 840747357 /nfs/dbraw/zinc/74/73/57/840747357.db2.gz ICUXZIJZSLPSER-BJKOFHAPSA-N 1 0 381.479 3.956 20 30 GHEDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255273631 840759061 /nfs/dbraw/zinc/75/90/61/840759061.db2.gz DMRIYRBDJDTSKK-UHFFFAOYSA-N 1 0 399.447 3.769 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000573558111 844592967 /nfs/dbraw/zinc/59/29/67/844592967.db2.gz PCIUJLLQNRWIGR-IEBWSBKVSA-N 1 0 388.920 3.911 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478192 841145642 /nfs/dbraw/zinc/14/56/42/841145642.db2.gz VHRKXZOQUVJDAY-DQLDELGASA-N 1 0 393.522 3.891 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccccc1CC ZINC000027321993 841381468 /nfs/dbraw/zinc/38/14/68/841381468.db2.gz MSGSRXSEYLCLRL-UHFFFAOYSA-O 1 0 383.537 3.800 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000661115738 841409658 /nfs/dbraw/zinc/40/96/58/841409658.db2.gz DRSJESHLGPVOKP-WBVHZDCISA-N 1 0 388.512 3.832 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1Cl ZINC000563068262 841455678 /nfs/dbraw/zinc/45/56/78/841455678.db2.gz MFCALBOSXVIGID-PXNSSMCTSA-N 1 0 389.927 3.786 20 30 GHEDRO CC(=O)NC1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000329253950 861208607 /nfs/dbraw/zinc/20/86/07/861208607.db2.gz WOCLITHCXZAHLH-UHFFFAOYSA-N 1 0 396.601 3.529 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698824 861208836 /nfs/dbraw/zinc/20/88/36/861208836.db2.gz JMDUGYRVZUHORS-GBESFXJTSA-N 1 0 389.609 3.894 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(-c2ccncc2)n1 ZINC000418139128 841557059 /nfs/dbraw/zinc/55/70/59/841557059.db2.gz DLKJGGXIOVPDAF-QFIPXVFZSA-N 1 0 382.471 3.898 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000581568116 841679950 /nfs/dbraw/zinc/67/99/50/841679950.db2.gz XWLHSGJVOBVHGF-QFBILLFUSA-N 1 0 378.476 3.741 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000157217009 841689544 /nfs/dbraw/zinc/68/95/44/841689544.db2.gz KSPPMVYAJYTXHF-NFBKMPQASA-N 1 0 389.499 3.694 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1Cl ZINC000134547809 841776804 /nfs/dbraw/zinc/77/68/04/841776804.db2.gz UKWNQMKSDSZDPN-ZDUSSCGKSA-N 1 0 391.899 3.971 20 30 GHEDRO C#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)nc1 ZINC000728821203 841780611 /nfs/dbraw/zinc/78/06/11/841780611.db2.gz BKNCPRRYJRKZHS-UHFFFAOYSA-N 1 0 390.487 3.520 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc(N(C)C)cc1 ZINC000123698067 841822794 /nfs/dbraw/zinc/82/27/94/841822794.db2.gz PBZHICUTHYQDCR-UHFFFAOYSA-O 1 0 388.944 3.798 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328061 841846632 /nfs/dbraw/zinc/84/66/32/841846632.db2.gz AKQXXMUTIKEVHZ-KGLIPLIRSA-N 1 0 398.320 3.674 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000046890665 841898829 /nfs/dbraw/zinc/89/88/29/841898829.db2.gz BKZCKHRBUOSYJZ-JOCHJYFZSA-N 1 0 394.519 3.791 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489818956 861252153 /nfs/dbraw/zinc/25/21/53/861252153.db2.gz OXVLTXMNOCBFQQ-FXAWDEMLSA-N 1 0 392.503 3.989 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510447890 841977484 /nfs/dbraw/zinc/97/74/84/841977484.db2.gz YCLVNOAWHGWQLY-YDJSWOFHSA-N 1 0 393.535 3.602 20 30 GHEDRO C[C@H](NC(=O)NCC1(c2ccccc2Cl)CCOCC1)C1=CC[N@H+](C)CC1 ZINC000329298538 861259861 /nfs/dbraw/zinc/25/98/61/861259861.db2.gz LLLDXZQQCFTRFB-INIZCTEOSA-N 1 0 391.943 3.542 20 30 GHEDRO CCn1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000473132516 842030040 /nfs/dbraw/zinc/03/00/40/842030040.db2.gz MUNBOEWZBGRCER-UHFFFAOYSA-N 1 0 387.487 3.779 20 30 GHEDRO N#Cc1ccccc1COc1cccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000066905213 842083285 /nfs/dbraw/zinc/08/32/85/842083285.db2.gz OEQVDZXPXZFJMO-OAQYLSRUSA-N 1 0 394.438 3.984 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1OC ZINC000054012616 842121477 /nfs/dbraw/zinc/12/14/77/842121477.db2.gz JGLRPWVCSMVTGY-UHFFFAOYSA-N 1 0 395.503 3.654 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1OCC ZINC000432354912 842156635 /nfs/dbraw/zinc/15/66/35/842156635.db2.gz AYLJZKOZEKMTJA-CZUORRHYSA-N 1 0 384.314 3.927 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000278935005 842184294 /nfs/dbraw/zinc/18/42/94/842184294.db2.gz CNLOWHWXPUZKGU-IEBWSBKVSA-N 1 0 392.503 3.940 20 30 GHEDRO Cc1cc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nc(C2CC2)n1 ZINC000329326904 861287875 /nfs/dbraw/zinc/28/78/75/861287875.db2.gz JPFBZFSKANIPDZ-UHFFFAOYSA-N 1 0 379.508 3.689 20 30 GHEDRO CCOc1ccc(CCC2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000585767929 842282269 /nfs/dbraw/zinc/28/22/69/842282269.db2.gz HRKPCXGWLLKPMR-HSZRJFAPSA-N 1 0 383.536 3.538 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H]([NH+]3CCCCC3)C2)c1=S ZINC000730807147 861295223 /nfs/dbraw/zinc/29/52/23/861295223.db2.gz NWTTVOGTMLHWNM-FQEVSTJZSA-N 1 0 397.592 3.709 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000329339821 861301982 /nfs/dbraw/zinc/30/19/82/861301982.db2.gz RFBXQOVRAFUXOB-ZHMMRPBMSA-N 1 0 391.600 3.959 20 30 GHEDRO N#CCC1(CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000430675896 842453182 /nfs/dbraw/zinc/45/31/82/842453182.db2.gz ASFZSOROYCRJBS-UHFFFAOYSA-N 1 0 382.552 3.714 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188187193 842486762 /nfs/dbraw/zinc/48/67/62/842486762.db2.gz SYBCKSMUXGQVLG-QGZVFWFLSA-N 1 0 396.304 3.781 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1)C(C)C ZINC000663669560 842618113 /nfs/dbraw/zinc/61/81/13/842618113.db2.gz YTNXAKXTKDIPMU-NJDAHSKKSA-N 1 0 377.573 3.676 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000613964946 842746807 /nfs/dbraw/zinc/74/68/07/842746807.db2.gz MGWJLXPFVZKJDF-AQNXPRMDSA-N 1 0 395.572 3.719 20 30 GHEDRO C=C[C@H](CO)[NH2+]C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000662166206 842786193 /nfs/dbraw/zinc/78/61/93/842786193.db2.gz VQZIHFMCWHXTDS-MOPGFXCFSA-N 1 0 396.314 3.597 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 ZINC000599598879 861344895 /nfs/dbraw/zinc/34/48/95/861344895.db2.gz BGLWTWZMRFSLCU-QOQLHOOGSA-N 1 0 387.524 3.674 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCC#Cc2cccc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000512189864 842844631 /nfs/dbraw/zinc/84/46/31/842844631.db2.gz PZPIHVPUFROYCR-KNQAVFIVSA-N 1 0 393.506 3.777 20 30 GHEDRO C=CCn1c(SCCN2CCOC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000188246638 842847488 /nfs/dbraw/zinc/84/74/88/842847488.db2.gz VKBKWYUOJCQEHE-AWEZNQCLSA-N 1 0 378.929 3.597 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000549638684 842862497 /nfs/dbraw/zinc/86/24/97/842862497.db2.gz MKKHEMXAXDOGPZ-NRFANRHFSA-N 1 0 392.551 3.634 20 30 GHEDRO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328927882 842887923 /nfs/dbraw/zinc/88/79/23/842887923.db2.gz GDEYHADSLGJSQG-LIPMQLJGSA-N 1 0 387.568 3.636 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000430773816 842965314 /nfs/dbraw/zinc/96/53/14/842965314.db2.gz AUFUIDHFZWIJEC-UHFFFAOYSA-N 1 0 379.504 3.940 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590596 861373357 /nfs/dbraw/zinc/37/33/57/861373357.db2.gz QEAHCMQMWWXHMS-JXFKEZNVSA-N 1 0 394.519 3.758 20 30 GHEDRO O=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329401726 861376026 /nfs/dbraw/zinc/37/60/26/861376026.db2.gz WGDCKNCJKYUVFK-QGZVFWFLSA-N 1 0 388.512 3.685 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000599596594 861383587 /nfs/dbraw/zinc/38/35/87/861383587.db2.gz CNQQCOLUDHSUEX-PBHICJAKSA-N 1 0 380.448 3.621 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000430918113 843178143 /nfs/dbraw/zinc/17/81/43/843178143.db2.gz LZVBMCJOYXIFRO-JOCHJYFZSA-N 1 0 377.488 3.611 20 30 GHEDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000328956480 843178879 /nfs/dbraw/zinc/17/88/79/843178879.db2.gz NQRVMXUEWFGJPN-RTWAWAEBSA-N 1 0 398.551 3.644 20 30 GHEDRO C[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000613993054 843197242 /nfs/dbraw/zinc/19/72/42/843197242.db2.gz XUBUWLKUHJKBHS-HTAPYJJXSA-N 1 0 376.504 3.829 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000662422100 843215299 /nfs/dbraw/zinc/21/52/99/843215299.db2.gz ZHLPBBYHDFUPTJ-BXKDBHETSA-N 1 0 386.311 3.785 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)CCC[NH2+]1 ZINC000662460017 843291707 /nfs/dbraw/zinc/29/17/07/843291707.db2.gz FFQZXOXAKKCYOU-LJQANCHMSA-N 1 0 388.468 3.544 20 30 GHEDRO Cc1noc([C@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000329427298 861404522 /nfs/dbraw/zinc/40/45/22/861404522.db2.gz HHJSDBLHWHIYLJ-QGZVFWFLSA-N 1 0 375.517 3.618 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000510735798 843369307 /nfs/dbraw/zinc/36/93/07/843369307.db2.gz NBMRKMCMLNQKGT-FQEVSTJZSA-N 1 0 392.503 3.915 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CC1 ZINC000610652236 843372123 /nfs/dbraw/zinc/37/21/23/843372123.db2.gz NTDNFBOCZNMOMP-UHFFFAOYSA-N 1 0 393.535 3.941 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662513922 843379285 /nfs/dbraw/zinc/37/92/85/843379285.db2.gz CFRSMBUWLXQFJN-CQSZACIVSA-N 1 0 398.322 3.802 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000603925920 861411348 /nfs/dbraw/zinc/41/13/48/861411348.db2.gz QZTXLVGODJGVLW-URXFXBBRSA-N 1 0 388.467 3.686 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)CCC[NH2+]1 ZINC000662573214 843415140 /nfs/dbraw/zinc/41/51/40/843415140.db2.gz RJVNMFNJOAVFEK-MRXNPFEDSA-N 1 0 380.926 3.980 20 30 GHEDRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000279834729 843421508 /nfs/dbraw/zinc/42/15/08/843421508.db2.gz ZGAIDHAPEVBFKH-UHFFFAOYSA-N 1 0 394.932 3.501 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCC(=O)Nc3cccc(Cl)c3)CCOCC2)cc1 ZINC000599630133 861417914 /nfs/dbraw/zinc/41/79/14/861417914.db2.gz IPOUAZKGRCZLCW-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO Cc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000474915763 861432521 /nfs/dbraw/zinc/43/25/21/861432521.db2.gz XIAMHYOVMCEYAQ-UHFFFAOYSA-N 1 0 381.907 3.797 20 30 GHEDRO C[NH+]=C(NCc1ccc(Br)s1)Nc1ccc(OC)c(OC)c1 ZINC000261651553 843605744 /nfs/dbraw/zinc/60/57/44/843605744.db2.gz AAQYOCQZCUQGLU-UHFFFAOYSA-N 1 0 384.299 3.715 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCOc2ccc(Br)cc2)cc1 ZINC000105461844 843633611 /nfs/dbraw/zinc/63/36/11/843633611.db2.gz LYWBGDGVKOEGTI-AWEZNQCLSA-N 1 0 375.266 3.909 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSc1ccc2c3c(cccc31)CC2 ZINC000610714132 843655103 /nfs/dbraw/zinc/65/51/03/843655103.db2.gz PGRRRUJRZZQICN-UHFFFAOYSA-N 1 0 381.545 3.724 20 30 GHEDRO CCOCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000599623639 861449747 /nfs/dbraw/zinc/44/97/47/861449747.db2.gz AWLGDGFBRXPPPP-QFIPXVFZSA-N 1 0 377.488 3.913 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510896773 843746345 /nfs/dbraw/zinc/74/63/45/843746345.db2.gz LSQOOCXBXBTCCM-XLIONFOSSA-N 1 0 392.503 3.989 20 30 GHEDRO COc1cc2c(c(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)c1)O[C@H](C)C2 ZINC000509126764 861453368 /nfs/dbraw/zinc/45/33/68/861453368.db2.gz SIPXHAXUVYVPOC-QGZVFWFLSA-N 1 0 377.488 3.603 20 30 GHEDRO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000433190729 843803123 /nfs/dbraw/zinc/80/31/23/843803123.db2.gz WSZQEULNNVIQSG-UHFFFAOYSA-N 1 0 386.455 3.780 20 30 GHEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCC(OC(C)(C)C)CC1 ZINC000261720362 843847476 /nfs/dbraw/zinc/84/74/76/843847476.db2.gz IGTNCGIMYIYGCY-IPMKNSEASA-N 1 0 377.573 3.579 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C1CC1 ZINC000411969284 843958391 /nfs/dbraw/zinc/95/83/91/843958391.db2.gz LGMKXUSXGXBWCF-RXSFTSLZSA-N 1 0 389.565 3.866 20 30 GHEDRO N#Cc1ccc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC000512478155 843962444 /nfs/dbraw/zinc/96/24/44/843962444.db2.gz BKGZNOYXQKCONI-JOCHJYFZSA-N 1 0 394.950 3.604 20 30 GHEDRO C[C@H]1CCC[C@](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)([NH+](C)C)C1 ZINC000509760969 843970601 /nfs/dbraw/zinc/97/06/01/843970601.db2.gz IXKROGMYRJAUAB-MBSDFSHPSA-N 1 0 398.551 3.622 20 30 GHEDRO CC[C@@H]1C[C@H](C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC(=O)N1 ZINC000329469353 861481661 /nfs/dbraw/zinc/48/16/61/861481661.db2.gz XLGXMGUTSZFGMG-ACZWYYKOSA-N 1 0 387.524 3.897 20 30 GHEDRO Cc1ccc(N=Cc2cc3ccccc3[nH]c2=O)cc1NC(=O)CC[NH+](C)C ZINC000588476294 844666646 /nfs/dbraw/zinc/66/66/46/844666646.db2.gz GUHQKIXGCDTRHT-UHFFFAOYSA-N 1 0 376.460 3.890 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000610859482 844702804 /nfs/dbraw/zinc/70/28/04/844702804.db2.gz ZIDBKDZMRAHRLX-JOCHJYFZSA-N 1 0 397.950 3.992 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=S)Nc3ccccc3C#N)CCCCC2)CCO1 ZINC000731159585 861490558 /nfs/dbraw/zinc/49/05/58/861490558.db2.gz JPTDOGBGUWTYAF-UHFFFAOYSA-N 1 0 386.565 3.658 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC001211531329 844731996 /nfs/dbraw/zinc/73/19/96/844731996.db2.gz RWPHYEHUVXSZBS-FQEVSTJZSA-N 1 0 378.582 3.961 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000614460155 844907166 /nfs/dbraw/zinc/90/71/66/844907166.db2.gz STWFKUZUWSHWHE-LSDHHAIUSA-N 1 0 384.332 3.517 20 30 GHEDRO CCC(C#N)(CC)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599704304 861514597 /nfs/dbraw/zinc/51/45/97/861514597.db2.gz HTOSUMCPBWGIGQ-LJQANCHMSA-N 1 0 379.508 3.907 20 30 GHEDRO CC1CCC([NH+]2CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)CC2)CC1 ZINC000329482826 861516372 /nfs/dbraw/zinc/51/63/72/861516372.db2.gz WGAXNLGUUQGLFN-UHFFFAOYSA-N 1 0 399.583 3.856 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC000599684005 861525252 /nfs/dbraw/zinc/52/52/52/861525252.db2.gz SMHBYKSISZBDLR-GOSISDBHSA-N 1 0 392.286 3.907 20 30 GHEDRO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)OCC ZINC000535889397 845035636 /nfs/dbraw/zinc/03/56/36/845035636.db2.gz SCGUGMBNYWRRTQ-MSOLQXFVSA-N 1 0 384.442 3.767 20 30 GHEDRO COc1ccc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433037665 845035932 /nfs/dbraw/zinc/03/59/32/845035932.db2.gz GMKKQCCBOMKTGH-KRWDZBQOSA-N 1 0 382.420 3.567 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)c1C ZINC000513223506 845085648 /nfs/dbraw/zinc/08/56/48/845085648.db2.gz OGZGPCHPIGFPRE-QGZVFWFLSA-N 1 0 375.476 3.777 20 30 GHEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCC(OC(C)(C)C)CC1 ZINC000261835383 845137893 /nfs/dbraw/zinc/13/78/93/845137893.db2.gz VYANHYVIUVFMAW-UHFFFAOYSA-N 1 0 378.464 3.517 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N1CCC2(C1)CCOCC2 ZINC000262366649 845350917 /nfs/dbraw/zinc/35/09/17/845350917.db2.gz HWMTXHNNTVVKFT-FCHUYYIVSA-N 1 0 399.579 3.931 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2=O)cc1 ZINC000277249929 845417469 /nfs/dbraw/zinc/41/74/69/845417469.db2.gz NWEHGSODNJWQMW-QJOWDPPASA-N 1 0 398.510 3.653 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCc2cc(C#N)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000509785949 845418226 /nfs/dbraw/zinc/41/82/26/845418226.db2.gz BOGAKLJSBQIHPX-PXNSSMCTSA-N 1 0 394.494 3.797 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000600311413 861579574 /nfs/dbraw/zinc/57/95/74/861579574.db2.gz BASZFMXBSWIGOE-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000329523623 861587394 /nfs/dbraw/zinc/58/73/94/861587394.db2.gz GOLKYIMWEDILMT-CXAGYDPISA-N 1 0 381.879 3.805 20 30 GHEDRO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000511052635 846012316 /nfs/dbraw/zinc/01/23/16/846012316.db2.gz YSUBMWGWVDGKCL-QVKFZJNVSA-N 1 0 383.442 3.548 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1OC ZINC000414515638 846193905 /nfs/dbraw/zinc/19/39/05/846193905.db2.gz NRBKUGFCFPTSNI-NFAWXSAZSA-N 1 0 384.314 3.926 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000072020961 846237016 /nfs/dbraw/zinc/23/70/16/846237016.db2.gz RRKSUKSJBDAPTG-GOSISDBHSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000513750250 846304560 /nfs/dbraw/zinc/30/45/60/846304560.db2.gz DQRFKWCZRAJKNW-UHFFFAOYSA-N 1 0 376.435 3.926 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)c(C#N)c1C ZINC000183171382 846437276 /nfs/dbraw/zinc/43/72/76/846437276.db2.gz FNNOZCXVJJBINI-HUUCEWRRSA-N 1 0 377.448 3.632 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1F ZINC000119872884 846437835 /nfs/dbraw/zinc/43/78/35/846437835.db2.gz MXHISBWGQKCBRI-INIZCTEOSA-N 1 0 384.430 3.870 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2cccc(C)c2)cc1 ZINC000280659536 846484711 /nfs/dbraw/zinc/48/47/11/846484711.db2.gz XHUSGAHQKPWXDC-LJQANCHMSA-O 1 0 397.564 3.800 20 30 GHEDRO COc1ccc(C[NH2+]CC2(CC#N)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430034176 846516640 /nfs/dbraw/zinc/51/66/40/846516640.db2.gz ITKTZADNUZCDDF-UHFFFAOYSA-N 1 0 381.432 3.966 20 30 GHEDRO C[C@H]([NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)NC1(C#N)CCC1 ZINC000582174584 846588473 /nfs/dbraw/zinc/58/84/73/846588473.db2.gz KLEGQSSVBFGLBP-LRDDRELGSA-N 1 0 390.325 3.613 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582210881 846652461 /nfs/dbraw/zinc/65/24/61/846652461.db2.gz MXDHKEFESBTDID-MJGOQNOKSA-N 1 0 378.451 3.683 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000161196253 846707749 /nfs/dbraw/zinc/70/77/49/846707749.db2.gz ZIKPWOFPUNLDOL-IBGZPJMESA-N 1 0 386.584 3.690 20 30 GHEDRO COc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(F)cc1C#N ZINC000599816268 861713984 /nfs/dbraw/zinc/71/39/84/861713984.db2.gz KXQCFVMYJJYNAD-MAUKXSAKSA-N 1 0 396.466 3.881 20 30 GHEDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000501244632 846755511 /nfs/dbraw/zinc/75/55/11/846755511.db2.gz VUUHILVKAYGZTA-SFHVURJKSA-N 1 0 381.524 3.541 20 30 GHEDRO COc1cc2c(c(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)c1)O[C@H](C)C2 ZINC000513713608 846856425 /nfs/dbraw/zinc/85/64/25/846856425.db2.gz QMWTXGNNGAOQKY-MRXNPFEDSA-N 1 0 378.472 3.934 20 30 GHEDRO C[C@H](NC(=O)Nc1cccc(OCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272237653 847025321 /nfs/dbraw/zinc/02/53/21/847025321.db2.gz FYTBZYPZHWVUJP-HKUYNNGSSA-N 1 0 378.476 3.621 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)CCc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000183279896 847028892 /nfs/dbraw/zinc/02/88/92/847028892.db2.gz XMEFSSLZACJRQM-LADGPHEKSA-N 1 0 389.499 3.594 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000272616525 847126505 /nfs/dbraw/zinc/12/65/05/847126505.db2.gz WICQHKSGQNKDED-QAPCUYQASA-N 1 0 392.906 3.807 20 30 GHEDRO C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501785517 847183107 /nfs/dbraw/zinc/18/31/07/847183107.db2.gz LMYRJWOJFURZGL-MSOLQXFVSA-N 1 0 387.487 3.703 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000329612639 861774174 /nfs/dbraw/zinc/77/41/74/861774174.db2.gz KDBKMNBCMSOFKV-IIBYNOLFSA-N 1 0 379.504 3.881 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COc1cccc(C(C)=O)c1)c1ccc(F)c(F)c1 ZINC000187762381 847291690 /nfs/dbraw/zinc/29/16/90/847291690.db2.gz BABBWZVKKNCOTE-UWJYYQICSA-N 1 0 375.415 3.814 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1OC ZINC000509962419 847376326 /nfs/dbraw/zinc/37/63/26/847376326.db2.gz CDLPGLMQQUEJBM-OAQYLSRUSA-N 1 0 394.515 3.583 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000503224169 847488500 /nfs/dbraw/zinc/48/85/00/847488500.db2.gz QDAWSXPUGXPTOS-NRFANRHFSA-N 1 0 389.503 3.854 20 30 GHEDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1O ZINC000176680196 847490378 /nfs/dbraw/zinc/49/03/78/847490378.db2.gz FAQNATOPKWBTCK-HXOBKFHXSA-N 1 0 377.488 3.764 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1F ZINC000582534159 847500260 /nfs/dbraw/zinc/50/02/60/847500260.db2.gz GLRVTCLWQCFTPX-CALCHBBNSA-N 1 0 380.423 3.848 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCOc3ccccc3Cl)CC2)c1 ZINC000502167644 847547365 /nfs/dbraw/zinc/54/73/65/847547365.db2.gz BAMQTJLILMLPEJ-UHFFFAOYSA-N 1 0 383.879 3.941 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2cccs2)N2CCOCC2)c(O)c1 ZINC000255510279 847566112 /nfs/dbraw/zinc/56/61/12/847566112.db2.gz VMRBLQMVVDECKF-UQRWVXEISA-N 1 0 387.549 3.792 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000420946463 847568223 /nfs/dbraw/zinc/56/82/23/847568223.db2.gz SMKODBYPIDMHPE-UTKZUKDTSA-N 1 0 380.488 3.596 20 30 GHEDRO CC(C)(CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C[NH+]1CCCC1 ZINC000481596879 861815321 /nfs/dbraw/zinc/81/53/21/861815321.db2.gz WQNBKQHEXCMRPH-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO CC(C)COC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000054322486 847689603 /nfs/dbraw/zinc/68/96/03/847689603.db2.gz NGUBWAPEIYPGBW-UHFFFAOYSA-N 1 0 389.565 3.964 20 30 GHEDRO C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC12CCCCC2 ZINC000329633968 861853227 /nfs/dbraw/zinc/85/32/27/861853227.db2.gz STIXXNBPKTXCFV-MISYRCLQSA-N 1 0 377.573 3.571 20 30 GHEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480019747 848024193 /nfs/dbraw/zinc/02/41/93/848024193.db2.gz FXKSYEFVMIBDEE-JPYJTQIMSA-N 1 0 385.515 3.884 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)NCCc1cccs1)[n+]1ccccc1 ZINC000171208727 861869056 /nfs/dbraw/zinc/86/90/56/861869056.db2.gz NMIYHEVRWHWTGG-UHFFFAOYSA-O 1 0 397.545 3.815 20 30 GHEDRO CC(=O)NCC1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000277864985 848258253 /nfs/dbraw/zinc/25/82/53/848258253.db2.gz YIGFIPPPKPWGQZ-UHFFFAOYSA-N 1 0 375.516 3.734 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COCc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187769646 848448199 /nfs/dbraw/zinc/44/81/99/848448199.db2.gz YQFMPTKBBHKINE-UTKZUKDTSA-N 1 0 377.431 3.758 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000731856074 861909006 /nfs/dbraw/zinc/90/90/06/861909006.db2.gz KZUZQUMIZRQIHB-UHFFFAOYSA-N 1 0 393.556 3.861 20 30 GHEDRO N#Cc1ccc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC000431498840 848556744 /nfs/dbraw/zinc/55/67/44/848556744.db2.gz YINDEUFETWIEKK-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2C2CC2)cc1 ZINC000582851044 848565180 /nfs/dbraw/zinc/56/51/80/848565180.db2.gz FDHDCARVHHDYNK-UHFFFAOYSA-N 1 0 376.508 3.606 20 30 GHEDRO C=CCOc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000192357170 861928296 /nfs/dbraw/zinc/92/82/96/861928296.db2.gz UTJRDAQWYKILEH-QFIPXVFZSA-N 1 0 396.531 3.641 20 30 GHEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000731928297 861974688 /nfs/dbraw/zinc/97/46/88/861974688.db2.gz HXHWCRXHWFLRIV-UHFFFAOYSA-N 1 0 381.760 3.787 20 30 GHEDRO COc1cc(C[C@@H](CO)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc(OC)c1 ZINC000481661370 861985511 /nfs/dbraw/zinc/98/55/11/861985511.db2.gz BSGZMQZUOUPFFR-NTKDMRAZSA-N 1 0 394.515 3.784 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000176461760 849198854 /nfs/dbraw/zinc/19/88/54/849198854.db2.gz DOGYRFDMLCGHQX-RBUKOAKNSA-N 1 0 378.520 3.824 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000125427477 849510654 /nfs/dbraw/zinc/51/06/54/849510654.db2.gz ZGQKPOHGCJOKDA-JKSUJKDBSA-N 1 0 378.542 3.559 20 30 GHEDRO C[N@H+](CCNC(=O)c1occc1COc1cccc(C#N)c1)Cc1ccccc1 ZINC000522538241 862028196 /nfs/dbraw/zinc/02/81/96/862028196.db2.gz YGVFXKLENOVSQN-UHFFFAOYSA-N 1 0 389.455 3.592 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000583334961 849645170 /nfs/dbraw/zinc/64/51/70/849645170.db2.gz SPXMMMPDEJFJBJ-FQEVSTJZSA-N 1 0 399.922 3.816 20 30 GHEDRO FC(F)C(F)(F)COCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000434796549 849767918 /nfs/dbraw/zinc/76/79/18/849767918.db2.gz VAJXKKWRAZUWRP-UHFFFAOYSA-N 1 0 399.310 3.898 20 30 GHEDRO CCOc1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000434835457 849817813 /nfs/dbraw/zinc/81/78/13/849817813.db2.gz CFGAZFUHQDHEKH-UHFFFAOYSA-N 1 0 375.476 3.889 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C2)C1 ZINC000505582482 849962125 /nfs/dbraw/zinc/96/21/25/849962125.db2.gz USHATKDAVJXEDG-HSZRJFAPSA-N 1 0 375.472 3.908 20 30 GHEDRO CC(C)CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000486858423 850173313 /nfs/dbraw/zinc/17/33/13/850173313.db2.gz MAZBTZZNAWLKHT-HSZRJFAPSA-N 1 0 391.515 3.874 20 30 GHEDRO CC[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262334415 862100931 /nfs/dbraw/zinc/10/09/31/862100931.db2.gz BOULBFRGZCRTQM-XUVXKRRUSA-N 1 0 396.535 3.909 20 30 GHEDRO Cc1ccccc1-c1cc(NC(=O)[C@H]([NH3+])CCCC#N)n(Cc2ccccc2)n1 ZINC000424082996 850204993 /nfs/dbraw/zinc/20/49/93/850204993.db2.gz MQEMWZJRTGKWLM-HXUWFJFHSA-N 1 0 387.487 3.867 20 30 GHEDRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000514721975 850214014 /nfs/dbraw/zinc/21/40/14/850214014.db2.gz LCJGFHCLKQNJGQ-HOIFWPIMSA-N 1 0 376.504 3.974 20 30 GHEDRO COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424113788 850227242 /nfs/dbraw/zinc/22/72/42/850227242.db2.gz OQIXMFXZODZVRE-NQIIRXRSSA-N 1 0 379.504 3.676 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424124204 850237711 /nfs/dbraw/zinc/23/77/11/850237711.db2.gz LQYRVIZEOIQHPC-OALUTQOASA-N 1 0 383.565 3.743 20 30 GHEDRO CSc1cccc([C@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccc(F)c(F)c2)c1 ZINC000424126237 850239575 /nfs/dbraw/zinc/23/95/75/850239575.db2.gz OXXXTLLXNDCOHA-MOPGFXCFSA-N 1 0 389.471 3.913 20 30 GHEDRO C=CC[C@H](CO)NC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000514889753 850436000 /nfs/dbraw/zinc/43/60/00/850436000.db2.gz BXVGRAJUJXOJCL-RTWAWAEBSA-N 1 0 389.540 3.525 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1C#N ZINC000514928426 850496785 /nfs/dbraw/zinc/49/67/85/850496785.db2.gz UYUPMUHLMDHOJS-MRXNPFEDSA-N 1 0 377.366 3.634 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000522585881 862140515 /nfs/dbraw/zinc/14/05/15/862140515.db2.gz ZPVGOZVZDYQIBV-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000514992006 850560687 /nfs/dbraw/zinc/56/06/87/850560687.db2.gz AUPDAGDAKDDKDD-VQTJNVASSA-N 1 0 379.891 3.728 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000424619183 850576846 /nfs/dbraw/zinc/57/68/46/850576846.db2.gz MZIYKCXYDFEZIV-UHFFFAOYSA-N 1 0 375.476 3.537 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048219626 850651305 /nfs/dbraw/zinc/65/13/05/850651305.db2.gz ZGTKUSNFDJSJBN-UHFFFAOYSA-N 1 0 385.577 3.906 20 30 GHEDRO C=CCC1(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCOCC1 ZINC000424783293 850696097 /nfs/dbraw/zinc/69/60/97/850696097.db2.gz PREBLGZZLNPRJX-QGZVFWFLSA-N 1 0 384.442 3.797 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000515166298 850732189 /nfs/dbraw/zinc/73/21/89/850732189.db2.gz IZNPSADHALFMMH-OXFYSEKESA-N 1 0 391.298 3.945 20 30 GHEDRO C=CCC[C@@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000664497383 850764939 /nfs/dbraw/zinc/76/49/39/850764939.db2.gz RQWRLMNYUDQUCT-DHIUTWEWSA-N 1 0 393.531 3.760 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000435764060 850837176 /nfs/dbraw/zinc/83/71/76/850837176.db2.gz NSROQTRFLODCFK-FUDKSRODSA-N 1 0 398.595 3.894 20 30 GHEDRO C#CCCCc1nnc(N2CCC(C)([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000909918671 850842266 /nfs/dbraw/zinc/84/22/66/850842266.db2.gz GMJWJIYYFLYLOF-UHFFFAOYSA-N 1 0 397.592 3.799 20 30 GHEDRO C#CCCCc1nnc(N2CC[C@@H](C[N@@H+](C)CCC)C2)n1Cc1cccs1 ZINC000909918146 850842486 /nfs/dbraw/zinc/84/24/86/850842486.db2.gz FASAGJKTVNONEU-SFHVURJKSA-N 1 0 385.581 3.512 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425078527 851074739 /nfs/dbraw/zinc/07/47/39/851074739.db2.gz KLHJKRYKJYFTFF-CYBMUJFWSA-N 1 0 384.505 3.577 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000425451604 851144959 /nfs/dbraw/zinc/14/49/59/851144959.db2.gz VZUBZKGMBUIDEU-GOSISDBHSA-N 1 0 394.519 3.791 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC000515547209 851158495 /nfs/dbraw/zinc/15/84/95/851158495.db2.gz KUZABDZDUMYWLJ-QGZVFWFLSA-N 1 0 377.431 3.574 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000505749225 851163518 /nfs/dbraw/zinc/16/35/18/851163518.db2.gz CPTVQTUSOZWFGO-FQEVSTJZSA-N 1 0 399.539 3.982 20 30 GHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1 ZINC000514082720 851218560 /nfs/dbraw/zinc/21/85/60/851218560.db2.gz IDJNLJRHKPZSJD-UHFFFAOYSA-N 1 0 399.516 3.586 20 30 GHEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000604483240 862225236 /nfs/dbraw/zinc/22/52/36/862225236.db2.gz IOZLNCDBTMWKSC-INIZCTEOSA-N 1 0 394.544 3.864 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521743 862244126 /nfs/dbraw/zinc/24/41/26/862244126.db2.gz WUGWBWPSSZLHRX-ZNLUXHQJSA-N 1 0 377.488 3.985 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CSc3ccccc32)c(OC)c1 ZINC000515833683 851540258 /nfs/dbraw/zinc/54/02/58/851540258.db2.gz MASVWYPFDQMRBB-ZWKOTPCHSA-N 1 0 385.529 3.643 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000436390424 851550731 /nfs/dbraw/zinc/55/07/31/851550731.db2.gz PDMHCPFBYBDIEL-GOSISDBHSA-N 1 0 390.491 3.549 20 30 GHEDRO COCCCOc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000604496414 862256237 /nfs/dbraw/zinc/25/62/37/862256237.db2.gz KZTJTGUDMCQXSV-UHFFFAOYSA-N 1 0 379.504 3.732 20 30 GHEDRO COCC[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000604500666 862259749 /nfs/dbraw/zinc/25/97/49/862259749.db2.gz CKVPRAQNUCQGHH-QHCPKHFHSA-N 1 0 391.515 3.591 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C[C@@H]1C(F)(F)F ZINC000894543360 851672179 /nfs/dbraw/zinc/67/21/79/851672179.db2.gz YZSZBGNHEZDLOA-OAGGEKHMSA-N 1 0 384.398 3.567 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)Cc2ccccc2)c1=S ZINC000732408579 862276528 /nfs/dbraw/zinc/27/65/28/862276528.db2.gz PNSKTDVUDWMEQR-UHFFFAOYSA-N 1 0 385.581 3.718 20 30 GHEDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000329741934 862285613 /nfs/dbraw/zinc/28/56/13/862285613.db2.gz PAEMBUDBPWMMOJ-FQEVSTJZSA-N 1 0 385.552 3.801 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)C1CCCCC1 ZINC000473740556 851810246 /nfs/dbraw/zinc/81/02/46/851810246.db2.gz XADVAUKWOWRYPV-SFHVURJKSA-N 1 0 378.586 3.526 20 30 GHEDRO COc1ccc(CNC(NCc2cc3ccccc3[nH]2)=[NH+]C2CC2)c(OC)c1 ZINC000911601048 851812001 /nfs/dbraw/zinc/81/20/01/851812001.db2.gz FJBHAPMHKQGOHT-UHFFFAOYSA-N 1 0 378.476 3.583 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[NH2+]C3(Cc4ccc(F)cc4)CCOCC3)o2)cc1 ZINC000550188615 851846241 /nfs/dbraw/zinc/84/62/41/851846241.db2.gz ACQFGUBEYFEAJJ-UHFFFAOYSA-N 1 0 392.434 3.629 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1snc(C)c1C#N ZINC000436490016 851967535 /nfs/dbraw/zinc/96/75/35/851967535.db2.gz PEVSDNIQJBQVBB-UHFFFAOYSA-N 1 0 377.539 3.761 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(OCC#N)c1)[NH+]1CCCC1 ZINC000048513878 852176826 /nfs/dbraw/zinc/17/68/26/852176826.db2.gz VENMDNLGZGUJBS-HXUWFJFHSA-N 1 0 394.475 3.556 20 30 GHEDRO C[NH+]1CCC(NC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CC1 ZINC000329802947 862331381 /nfs/dbraw/zinc/33/13/81/862331381.db2.gz KUZIKKHKCDJYKR-INIZCTEOSA-N 1 0 384.549 3.513 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000517658346 852215341 /nfs/dbraw/zinc/21/53/41/852215341.db2.gz HRKOMEKQUPHFEF-XMSQKQJNSA-N 1 0 379.504 3.598 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000481829002 862337878 /nfs/dbraw/zinc/33/78/78/862337878.db2.gz DOFXNICNFGPPPR-AHRSYUTCSA-N 1 0 397.519 3.862 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000517708596 852275369 /nfs/dbraw/zinc/27/53/69/852275369.db2.gz ACUBBAZQAONTOJ-AVRDEDQJSA-N 1 0 399.560 3.743 20 30 GHEDRO CC(C)(C)[NH+]=C(NCCc1cccs1)NC[C@H]1COC2(CCCCC2)O1 ZINC000912506365 852312244 /nfs/dbraw/zinc/31/22/44/852312244.db2.gz MFXYNOOBILMZKA-INIZCTEOSA-N 1 0 379.570 3.700 20 30 GHEDRO CC(C)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000506223556 852384427 /nfs/dbraw/zinc/38/44/27/852384427.db2.gz MDNYRPRHSFOXER-HNNXBMFYSA-N 1 0 375.538 3.574 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)nc2OC(C)C)CC1 ZINC000426913676 852528740 /nfs/dbraw/zinc/52/87/40/852528740.db2.gz IFKITBAYNYRCDT-UHFFFAOYSA-N 1 0 385.430 3.658 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489840202 852602604 /nfs/dbraw/zinc/60/26/04/852602604.db2.gz OMRJUQBQQMJVPP-OAHLLOKOSA-N 1 0 378.398 3.699 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000505930178 852629581 /nfs/dbraw/zinc/62/95/81/852629581.db2.gz LNZULCGBSAYHPI-RXVVDRJESA-N 1 0 385.577 3.904 20 30 GHEDRO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)c12 ZINC000329857308 862377235 /nfs/dbraw/zinc/37/72/35/862377235.db2.gz ZARAKVUHCRXKCZ-SJKOYZFVSA-N 1 0 395.532 3.793 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490031856 852716296 /nfs/dbraw/zinc/71/62/96/852716296.db2.gz LXYIDAJJHKXQEC-MRXNPFEDSA-N 1 0 398.532 3.996 20 30 GHEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000490034999 852718231 /nfs/dbraw/zinc/71/82/31/852718231.db2.gz VKVOIJXALZXFRS-WIYYLYMNSA-N 1 0 375.472 3.552 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000516559418 852720121 /nfs/dbraw/zinc/72/01/21/852720121.db2.gz VILOHKBFLGMDLZ-RTBURBONSA-N 1 0 388.519 3.625 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1CC1CCCC1 ZINC000669032589 852765837 /nfs/dbraw/zinc/76/58/37/852765837.db2.gz PAXDOEUZVBRNBV-ZCNNSNEGSA-N 1 0 385.556 3.549 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H](C)C2(CCCCC2)C1 ZINC000669033755 852785410 /nfs/dbraw/zinc/78/54/10/852785410.db2.gz YGOINWGOIMPLFY-ZCNNSNEGSA-N 1 0 399.583 3.797 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1)C1CC1 ZINC000329882229 862393512 /nfs/dbraw/zinc/39/35/12/862393512.db2.gz PPZHITHKEANCOG-GMAHTHKFSA-N 1 0 381.520 3.738 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[NH+]2CCCC2)o1 ZINC000506356961 852848513 /nfs/dbraw/zinc/84/85/13/852848513.db2.gz GWOIWRMNKIXACG-UGKGYDQZSA-N 1 0 395.503 3.816 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000438785206 852850630 /nfs/dbraw/zinc/85/06/30/852850630.db2.gz NEZGINAIISCSCS-QFIPXVFZSA-N 1 0 379.460 3.645 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000505994818 852879124 /nfs/dbraw/zinc/87/91/24/852879124.db2.gz FNLORQWSHPBKDJ-UHFFFAOYSA-N 1 0 386.858 3.745 20 30 GHEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000507409346 852881152 /nfs/dbraw/zinc/88/11/52/852881152.db2.gz WHCAHCBUEUJIPG-DRSNIGMVSA-N 1 0 377.488 3.844 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@](C)(O)CC3)cc2)C1 ZINC000329901985 862408514 /nfs/dbraw/zinc/40/85/14/862408514.db2.gz HIZCLLDADDCCGL-SELNLUPBSA-N 1 0 387.568 3.815 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000516790929 853011184 /nfs/dbraw/zinc/01/11/84/853011184.db2.gz WHGDNQGLWKUTRZ-IBGZPJMESA-N 1 0 380.540 3.537 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)c(F)c1 ZINC000507621790 853098241 /nfs/dbraw/zinc/09/82/41/853098241.db2.gz CSDCLXUPGLDROP-SCLBCKFNSA-N 1 0 379.414 3.761 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000506475019 853225864 /nfs/dbraw/zinc/22/58/64/853225864.db2.gz RMCXZLMHZRUJOQ-IAGOWNOFSA-N 1 0 388.943 3.737 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC000437529562 853231026 /nfs/dbraw/zinc/23/10/26/853231026.db2.gz YJYIDCGFMFARTH-LVCYWYKZSA-N 1 0 377.550 3.523 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000894861421 853249904 /nfs/dbraw/zinc/24/99/04/853249904.db2.gz TZOOSCSJMAQSLK-LJQANCHMSA-N 1 0 391.515 3.805 20 30 GHEDRO O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1CC[NH+](C2CCCC2)CC1 ZINC000329949475 862448655 /nfs/dbraw/zinc/44/86/55/862448655.db2.gz LYLIJXLQPKTNJK-UHFFFAOYSA-N 1 0 399.470 3.859 20 30 GHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000556031341 862457498 /nfs/dbraw/zinc/45/74/98/862457498.db2.gz JGTOCHNZRAVMRW-UHFFFAOYSA-N 1 0 375.472 3.955 20 30 GHEDRO CC[NH+]=C(NCCc1c(C)[nH]c2ccccc21)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261976583 853377456 /nfs/dbraw/zinc/37/74/56/853377456.db2.gz NTXBXNOWLRJOLU-JTSKRJEESA-N 1 0 392.551 3.764 20 30 GHEDRO C[NH+]=C(NCc1cccc(COC2CCOCC2)c1)N1CCc2ccccc21 ZINC000151423042 853405284 /nfs/dbraw/zinc/40/52/84/853405284.db2.gz OUVSAKYRNACIDH-UHFFFAOYSA-N 1 0 379.504 3.520 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)c1 ZINC000517134987 853419838 /nfs/dbraw/zinc/41/98/38/853419838.db2.gz IBIOBQRNWYFQRS-UHFFFAOYSA-N 1 0 380.444 3.599 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151445159 853437415 /nfs/dbraw/zinc/43/74/15/853437415.db2.gz LTLBCFQJJKVYCU-SJLPKXTDSA-N 1 0 396.350 3.605 20 30 GHEDRO CC[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)[NH+](C)C ZINC000151436263 853442839 /nfs/dbraw/zinc/44/28/39/853442839.db2.gz ZBXSIDXUMJMARH-HNNXBMFYSA-N 1 0 396.438 3.903 20 30 GHEDRO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000481881503 862471084 /nfs/dbraw/zinc/47/10/84/862471084.db2.gz IPKBQNNWGSYXFB-UHFFFAOYSA-N 1 0 384.288 3.727 20 30 GHEDRO COCCN(CC[NH+](C)C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000519823496 853531826 /nfs/dbraw/zinc/53/18/26/853531826.db2.gz SKCVSHNBIBPCFR-UHFFFAOYSA-N 1 0 397.544 3.501 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)cc1 ZINC000439322789 853552769 /nfs/dbraw/zinc/55/27/69/853552769.db2.gz GUMZEGJWQIPTEJ-LJQANCHMSA-N 1 0 388.870 3.912 20 30 GHEDRO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000519908771 853598876 /nfs/dbraw/zinc/59/88/76/853598876.db2.gz PAASCENKPMENEU-QFIPXVFZSA-N 1 0 380.488 3.659 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[N@@H+]1C1CC1 ZINC000440930242 853761550 /nfs/dbraw/zinc/76/15/50/853761550.db2.gz GFIWFRXLVFNLGA-VQIMIIECSA-N 1 0 375.472 3.900 20 30 GHEDRO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000441065843 853866516 /nfs/dbraw/zinc/86/65/16/853866516.db2.gz RPQGELINYAECJV-ZYKLXPEUSA-N 1 0 387.527 3.874 20 30 GHEDRO CN(CCCC[NH+](C)C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587565297 853903944 /nfs/dbraw/zinc/90/39/44/853903944.db2.gz XHBAWPGFGQLNJW-UHFFFAOYSA-N 1 0 390.959 3.618 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000520154622 853910656 /nfs/dbraw/zinc/91/06/56/853910656.db2.gz KUEIFHANMWJDDF-UHFFFAOYSA-N 1 0 378.520 3.858 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1F ZINC000129601234 853920921 /nfs/dbraw/zinc/92/09/21/853920921.db2.gz QNKVUVNMWIIAOW-UHFFFAOYSA-N 1 0 392.381 3.682 20 30 GHEDRO C=CC[N@@H+](CCOc1ccc(Cl)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196005 853944537 /nfs/dbraw/zinc/94/45/37/853944537.db2.gz UGUDBNLEKBQDFW-MRXNPFEDSA-N 1 0 383.883 3.944 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481905797 862523099 /nfs/dbraw/zinc/52/30/99/862523099.db2.gz PVNBMAYZWHXLPI-DNQXCXABSA-N 1 0 387.527 3.734 20 30 GHEDRO Cc1ccc(CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045014016 854032335 /nfs/dbraw/zinc/03/23/35/854032335.db2.gz GSESMYMGLUWYHI-UHFFFAOYSA-N 1 0 375.516 3.924 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000129489196 854078702 /nfs/dbraw/zinc/07/87/02/854078702.db2.gz GJDPFFNCPHLBCZ-FQEVSTJZSA-N 1 0 396.491 3.829 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)C1 ZINC000330070234 862553401 /nfs/dbraw/zinc/55/34/01/862553401.db2.gz HYRCPKSJHVFUMN-PIPMEXSNSA-N 1 0 395.503 3.515 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)C2)nc1 ZINC000330085371 862563449 /nfs/dbraw/zinc/56/34/49/862563449.db2.gz CWBKWDLWYVGATL-AQNXPRMDSA-N 1 0 398.551 3.871 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3OC)C2)cc(OC)c1 ZINC000133479627 862564627 /nfs/dbraw/zinc/56/46/27/862564627.db2.gz AZUSPRCYKDVDDN-SFHVURJKSA-N 1 0 381.476 3.661 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)NC3(c4ccc5c(c4)OCO5)CC3)CC2)CC1 ZINC000328664706 854496031 /nfs/dbraw/zinc/49/60/31/854496031.db2.gz YSSADZDJNVRADB-UHFFFAOYSA-N 1 0 399.535 3.951 20 30 GHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@]2(CCCOC2)O1 ZINC000330101490 862575449 /nfs/dbraw/zinc/57/54/49/862575449.db2.gz FNEKKDLXSGONKF-KDOFPFPSSA-N 1 0 386.414 3.953 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000328732427 854540349 /nfs/dbraw/zinc/54/03/49/854540349.db2.gz JBMSSEQBRSGHFH-WTTBNOFXSA-N 1 0 377.554 3.871 20 30 GHEDRO COCc1cccc2sc(=NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)[nH]c21 ZINC000328805321 854542342 /nfs/dbraw/zinc/54/23/42/854542342.db2.gz HPRXUENLAXMJIQ-OAHLLOKOSA-N 1 0 388.537 3.652 20 30 GHEDRO COCc1cccc2sc(=NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)[nH]c21 ZINC000328805319 854542386 /nfs/dbraw/zinc/54/23/86/854542386.db2.gz HPRXUENLAXMJIQ-HNNXBMFYSA-N 1 0 388.537 3.652 20 30 GHEDRO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000328790728 854558242 /nfs/dbraw/zinc/55/82/42/854558242.db2.gz QMMSAPACELMEMD-RBBKRZOGSA-N 1 0 399.579 3.905 20 30 GHEDRO Cn1ncc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1C1CC1 ZINC000328829608 854563846 /nfs/dbraw/zinc/56/38/46/854563846.db2.gz KFNDUUUJIVYRDQ-FUHWJXTLSA-N 1 0 376.863 3.840 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328833862 854567732 /nfs/dbraw/zinc/56/77/32/854567732.db2.gz RWPYQODEIHPJAP-ZFVVBOAOSA-N 1 0 386.414 3.544 20 30 GHEDRO O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328938803 854609001 /nfs/dbraw/zinc/60/90/01/854609001.db2.gz RQOOZFULPPQQGM-LSDHHAIUSA-N 1 0 376.407 3.598 20 30 GHEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000588965333 854618363 /nfs/dbraw/zinc/61/83/63/854618363.db2.gz LLSOPKFWZWTHRD-OAHLLOKOSA-N 1 0 389.546 3.578 20 30 GHEDRO CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000328991873 854644631 /nfs/dbraw/zinc/64/46/31/854644631.db2.gz SOXCSIZYHHGSFL-BHIYHBOVSA-N 1 0 381.524 3.961 20 30 GHEDRO COc1ccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)cc1Br ZINC000330391304 854665810 /nfs/dbraw/zinc/66/58/10/854665810.db2.gz HMAAKXVEDDGYJY-UHFFFAOYSA-N 1 0 398.345 3.582 20 30 GHEDRO CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000330895800 854778389 /nfs/dbraw/zinc/77/83/89/854778389.db2.gz GKSBNTYAPXRRFA-UHFFFAOYSA-N 1 0 385.961 3.775 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CCCCC3)CC2)nc1-c1ccncc1 ZINC000165222455 854815218 /nfs/dbraw/zinc/81/52/18/854815218.db2.gz NBEQLOUTOFWULS-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO CC(C)c1cc(Br)ccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331148718 854815431 /nfs/dbraw/zinc/81/54/31/854815431.db2.gz BDYSROTZNQTIQI-UONOGXRCSA-N 1 0 398.345 3.505 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1C(N)=O ZINC000331226857 854821698 /nfs/dbraw/zinc/82/16/98/854821698.db2.gz FQPOQLITDSLGMB-UHFFFAOYSA-N 1 0 376.501 3.946 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Cl)ccc1OC(F)F ZINC000330145913 862612891 /nfs/dbraw/zinc/61/28/91/862612891.db2.gz HPDIGIZDNJCISH-UHFFFAOYSA-N 1 0 388.842 3.891 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(-c2ccncc2)n1 ZINC000572828194 855006508 /nfs/dbraw/zinc/00/65/08/855006508.db2.gz YERYOGONZAFYEM-RTWAWAEBSA-N 1 0 391.519 3.640 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](CC(C)C)C1 ZINC000669334770 855018929 /nfs/dbraw/zinc/01/89/29/855018929.db2.gz LASUPZZJHFRPDV-AQNXPRMDSA-N 1 0 387.572 3.652 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC2(CCCCC2)C1 ZINC000669334359 855021849 /nfs/dbraw/zinc/02/18/49/855021849.db2.gz DGDRXSGIBXIMGO-UXHICEINSA-N 1 0 399.583 3.941 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3cccc(CC#N)c3)cc2)C1 ZINC000589587767 855072626 /nfs/dbraw/zinc/07/26/26/855072626.db2.gz RXXOLDWDMJASMI-QGZVFWFLSA-N 1 0 383.517 3.785 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000106255256 855202509 /nfs/dbraw/zinc/20/25/09/855202509.db2.gz RPKLXIFMCADZEU-KRWDZBQOSA-N 1 0 389.540 3.885 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)[C@H]2C1 ZINC000590045665 855249104 /nfs/dbraw/zinc/24/91/04/855249104.db2.gz SVKKBOGXAPLJQJ-BEFAXECRSA-N 1 0 381.863 3.780 20 30 GHEDRO Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000330214699 862666658 /nfs/dbraw/zinc/66/66/58/862666658.db2.gz LWRMZICBMVTTRI-KSEOMHKRSA-N 1 0 395.551 3.653 20 30 GHEDRO CC1(C)C[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)c2ccc(F)cc2O1 ZINC000330243781 862689961 /nfs/dbraw/zinc/68/99/61/862689961.db2.gz JWPIAKXIHUUOJN-SFHVURJKSA-N 1 0 375.488 3.806 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000542725968 855569291 /nfs/dbraw/zinc/56/92/91/855569291.db2.gz FUZOJZFUKIVIJS-HXUWFJFHSA-N 1 0 385.895 3.651 20 30 GHEDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000441536785 855580590 /nfs/dbraw/zinc/58/05/90/855580590.db2.gz RHHNZQDINWITBD-UHFFFAOYSA-N 1 0 393.365 3.650 20 30 GHEDRO CSC[C@H]1CCC[N@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000330267705 862706941 /nfs/dbraw/zinc/70/69/41/862706941.db2.gz IFVSQNACFCMUTH-KRWDZBQOSA-N 1 0 395.613 3.589 20 30 GHEDRO Cc1nnc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(C#N)c1C ZINC000301289391 855654516 /nfs/dbraw/zinc/65/45/16/855654516.db2.gz POPZBWLPIDMXDC-MRXNPFEDSA-N 1 0 375.398 3.670 20 30 GHEDRO C[NH+](C)[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC000301352828 855677788 /nfs/dbraw/zinc/67/77/88/855677788.db2.gz JJFLFOYJEYBIPD-IBGZPJMESA-N 1 0 379.395 3.869 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3C#N)cc2)CC1 ZINC000301361672 855680301 /nfs/dbraw/zinc/68/03/01/855680301.db2.gz MLRRNNXYUIXTEK-UHFFFAOYSA-N 1 0 379.464 3.988 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000301553229 855715220 /nfs/dbraw/zinc/71/52/20/855715220.db2.gz GRBKSQFWGTVENK-UHFFFAOYSA-N 1 0 382.430 3.667 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C[C@@H](C)O1 ZINC000302004047 855800214 /nfs/dbraw/zinc/80/02/14/855800214.db2.gz YSMMHQJYPATDSV-HUUCEWRRSA-N 1 0 381.442 3.903 20 30 GHEDRO C=CC[N@H+](Cc1cccs1)C[C@H](O)COc1ccc(Br)cc1 ZINC000057950437 855825781 /nfs/dbraw/zinc/82/57/81/855825781.db2.gz PXZMTZGNKQQPMC-HNNXBMFYSA-N 1 0 382.323 3.939 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000302225424 855842263 /nfs/dbraw/zinc/84/22/63/855842263.db2.gz VIWYHSHKRNCXAW-IYBDPMFKSA-N 1 0 380.448 3.688 20 30 GHEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302264131 855846816 /nfs/dbraw/zinc/84/68/16/855846816.db2.gz DZGBBKMRUJKBOP-UHFFFAOYSA-N 1 0 396.457 3.616 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)c1 ZINC000591277150 855880034 /nfs/dbraw/zinc/88/00/34/855880034.db2.gz GWAJMFFSJZRSCZ-QZTJIDSGSA-N 1 0 391.475 3.599 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000063300835 855903608 /nfs/dbraw/zinc/90/36/08/855903608.db2.gz JVMXNLRRWPIZEI-UHFFFAOYSA-N 1 0 387.439 3.811 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000554491381 855917957 /nfs/dbraw/zinc/91/79/57/855917957.db2.gz PCBUNVOKVIAAJJ-VWEINGBSSA-N 1 0 396.535 3.516 20 30 GHEDRO C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415686 855966393 /nfs/dbraw/zinc/96/63/93/855966393.db2.gz LVDRGNNFDGFKIW-SFHVURJKSA-N 1 0 387.487 3.877 20 30 GHEDRO CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000108717475 855990497 /nfs/dbraw/zinc/99/04/97/855990497.db2.gz XKFTYQBUQUCRAG-KRWDZBQOSA-N 1 0 378.476 3.906 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn(CC)c2)cc1OC ZINC000265580881 855997345 /nfs/dbraw/zinc/99/73/45/855997345.db2.gz YETATZFTSGQHPQ-UHFFFAOYSA-N 1 0 380.286 3.529 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459130469 856092534 /nfs/dbraw/zinc/09/25/34/856092534.db2.gz VIQGHAKDQNHURG-UHFFFAOYSA-N 1 0 382.483 3.751 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000171556101 856183711 /nfs/dbraw/zinc/18/37/11/856183711.db2.gz QHYFYWPFUHAFSE-OAHLLOKOSA-N 1 0 394.357 3.720 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000591763714 856231828 /nfs/dbraw/zinc/23/18/28/856231828.db2.gz DHSREYBMBYZWGY-RDTXWAMCSA-N 1 0 377.271 3.882 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000045927719 856266096 /nfs/dbraw/zinc/26/60/96/856266096.db2.gz RXLVCJPLFTVZEI-JTSKRJEESA-N 1 0 395.503 3.533 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000573508133 856266568 /nfs/dbraw/zinc/26/65/68/856266568.db2.gz DYLXRVYDPQTRLM-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000591765905 856289509 /nfs/dbraw/zinc/28/95/09/856289509.db2.gz QFXJPSRKWKSSDL-WHLIDYPQSA-N 1 0 386.879 3.783 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109484862 856314018 /nfs/dbraw/zinc/31/40/18/856314018.db2.gz ZXZRRXFCOIGKBY-MRXNPFEDSA-N 1 0 381.501 3.513 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000593882694 862785613 /nfs/dbraw/zinc/78/56/13/862785613.db2.gz KFLGNUFJFCJJLX-UHFFFAOYSA-N 1 0 398.850 3.514 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(Br)c3)C2=O)cc1 ZINC000485293026 856323395 /nfs/dbraw/zinc/32/33/95/856323395.db2.gz WYCMTRBDHZYPMF-SFHVURJKSA-N 1 0 384.277 3.606 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2CC)CC1 ZINC000485339020 856382396 /nfs/dbraw/zinc/38/23/96/856382396.db2.gz AAQUYZWPGYOZBW-UHFFFAOYSA-N 1 0 387.915 3.860 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CCCc2nnc3n2CCCCC3)ccc1OC ZINC000066993935 856402458 /nfs/dbraw/zinc/40/24/58/856402458.db2.gz BQSSHIHRXGNFBU-UHFFFAOYSA-N 1 0 384.524 3.690 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000184831171 856411975 /nfs/dbraw/zinc/41/19/75/856411975.db2.gz WJNSOMXHZWXEFG-IBGZPJMESA-N 1 0 389.421 3.929 20 30 GHEDRO O[C@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)COCc1ccc(Cl)cc1 ZINC000573712751 856449573 /nfs/dbraw/zinc/44/95/73/856449573.db2.gz JMCJZERNYLITFW-LJQANCHMSA-N 1 0 397.824 3.878 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000046105173 856487904 /nfs/dbraw/zinc/48/79/04/856487904.db2.gz DYNSSQKWEQDWPR-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000172584408 856491966 /nfs/dbraw/zinc/49/19/66/856491966.db2.gz XFIUGIHOJUMSGW-UWJYYQICSA-N 1 0 394.494 3.892 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000592068603 856650878 /nfs/dbraw/zinc/65/08/78/856650878.db2.gz BKWQULJJGPFDCN-UHFFFAOYSA-N 1 0 378.520 3.657 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2Br)C(C)C)CC1 ZINC000592069020 856651834 /nfs/dbraw/zinc/65/18/34/856651834.db2.gz FGRJWGFPMLEGFF-GOSISDBHSA-N 1 0 395.341 3.619 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000149040966 856666425 /nfs/dbraw/zinc/66/64/25/856666425.db2.gz MVJCQNSOQYLIRJ-SFHVURJKSA-N 1 0 376.504 3.580 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000507921343 856693660 /nfs/dbraw/zinc/69/36/60/856693660.db2.gz QCMZTSUCCCNPMF-UHFFFAOYSA-N 1 0 375.394 3.718 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172415743 856767372 /nfs/dbraw/zinc/76/73/72/856767372.db2.gz MZLPEUBSLHJONX-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000592297453 856769855 /nfs/dbraw/zinc/76/98/55/856769855.db2.gz QDVSNSGFTWTNAP-FUHWJXTLSA-N 1 0 381.442 3.901 20 30 GHEDRO Cc1ccc(C2([NH2+]CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CCC2)cc1 ZINC000592186318 856787887 /nfs/dbraw/zinc/78/78/87/856787887.db2.gz CJCJHZJKPXMTBO-UHFFFAOYSA-N 1 0 385.471 3.660 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)CC1 ZINC000592351618 856796514 /nfs/dbraw/zinc/79/65/14/856796514.db2.gz FSBVRXVXXWIMGQ-LJQANCHMSA-N 1 0 396.579 3.652 20 30 GHEDRO COc1ccc(CNc2cc[nH+]c(C)c2Br)cc1OCCCC#N ZINC000573987070 856843937 /nfs/dbraw/zinc/84/39/37/856843937.db2.gz GGXDBAQJYQAJJP-UHFFFAOYSA-N 1 0 390.281 3.878 20 30 GHEDRO CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CC[N@H+](C)C1 ZINC000592214201 856885242 /nfs/dbraw/zinc/88/52/42/856885242.db2.gz DQVOYWOWRIBPSW-KRWDZBQOSA-N 1 0 383.521 3.554 20 30 GHEDRO N#Cc1cc(Cl)cc(Br)c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000429211102 862846712 /nfs/dbraw/zinc/84/67/12/862846712.db2.gz CTFQPTARAPBSKJ-ZDUSSCGKSA-N 1 0 398.732 3.523 20 30 GHEDRO O=c1[nH]c2ccccc2cc1C=NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000760980443 856929819 /nfs/dbraw/zinc/92/98/19/856929819.db2.gz MVGPGOHQTIODLZ-YTLMXASBSA-N 1 0 377.513 3.977 20 30 GHEDRO CC(C)N(C(=O)Cc1c(F)cccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592693920 857027044 /nfs/dbraw/zinc/02/70/44/857027044.db2.gz BLCMYWYSCHSVNU-FQEVSTJZSA-N 1 0 379.479 3.751 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1C#N ZINC000159630794 862864532 /nfs/dbraw/zinc/86/45/32/862864532.db2.gz UQOCGUYQGUVUII-PXNSSMCTSA-N 1 0 380.492 3.821 20 30 GHEDRO C=CCC1([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000668552029 857114703 /nfs/dbraw/zinc/11/47/03/857114703.db2.gz CCWKPILWGGIWDO-AWEZNQCLSA-N 1 0 381.314 3.881 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000173785712 857149110 /nfs/dbraw/zinc/14/91/10/857149110.db2.gz QBIRCEZFBYGUOP-IBGZPJMESA-N 1 0 391.515 3.941 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000173993529 857194941 /nfs/dbraw/zinc/19/49/41/857194941.db2.gz KCIZBGCLRMILDH-WMZOPIPTSA-N 1 0 394.519 3.692 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)cc1 ZINC000593050416 857201003 /nfs/dbraw/zinc/20/10/03/857201003.db2.gz JLMWRXKDCQNSNH-NRFANRHFSA-N 1 0 388.467 3.811 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000672383222 857232151 /nfs/dbraw/zinc/23/21/51/857232151.db2.gz UYPMOSFHXFDSNI-UHFFFAOYSA-N 1 0 393.531 3.963 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+]2CCCC2)cc1 ZINC000174452722 857316013 /nfs/dbraw/zinc/31/60/13/857316013.db2.gz KUTQVQJSULBZLP-NRFANRHFSA-N 1 0 380.467 3.642 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cncc(-c4ccccc4)c3)CC2)cc1 ZINC000134221513 862898751 /nfs/dbraw/zinc/89/87/51/862898751.db2.gz HFMVQDQNALGGPT-UHFFFAOYSA-N 1 0 396.494 3.968 20 30 GHEDRO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000593076435 857338567 /nfs/dbraw/zinc/33/85/67/857338567.db2.gz CEDJJWLOFSYHCX-UZLBHIALSA-N 1 0 380.492 3.788 20 30 GHEDRO C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000174766538 857382038 /nfs/dbraw/zinc/38/20/38/857382038.db2.gz DVGWWDFSCBLKEK-QGZVFWFLSA-N 1 0 380.467 3.503 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246520311 857398683 /nfs/dbraw/zinc/39/86/83/857398683.db2.gz XHZFTTJOYMSILX-ICSRJNTNSA-N 1 0 382.533 3.844 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174947884 857411291 /nfs/dbraw/zinc/41/12/91/857411291.db2.gz BNJQOZGESWOOSB-IBGZPJMESA-N 1 0 382.533 3.545 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)o2)cc1 ZINC000282233276 857487658 /nfs/dbraw/zinc/48/76/58/857487658.db2.gz ZNZJPCSBTMLLQC-GOSISDBHSA-N 1 0 388.475 3.521 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccc(F)c(C#N)c2)CCOCC1)c1ccccc1 ZINC000113565487 857572179 /nfs/dbraw/zinc/57/21/79/857572179.db2.gz QTCLRIABSBGUQG-INIZCTEOSA-N 1 0 396.466 3.719 20 30 GHEDRO C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027215812 857659662 /nfs/dbraw/zinc/65/96/62/857659662.db2.gz RSAGZSALZRLXAU-JOCHJYFZSA-N 1 0 377.488 3.914 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)COc2ccccc2C#N)cc1 ZINC000043506092 857741344 /nfs/dbraw/zinc/74/13/44/857741344.db2.gz LZJDKKZKMWCKMA-UHFFFAOYSA-N 1 0 399.494 3.982 20 30 GHEDRO Cc1ccc(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)nn1 ZINC000592581075 857763892 /nfs/dbraw/zinc/76/38/92/857763892.db2.gz IAVDHCPGNJRZRX-UHFFFAOYSA-N 1 0 399.498 3.528 20 30 GHEDRO N#CCCCCC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000593986881 857818226 /nfs/dbraw/zinc/81/82/26/857818226.db2.gz JWKPJCDOAPKWPT-SFHVURJKSA-N 1 0 381.442 3.983 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000593987587 857818292 /nfs/dbraw/zinc/81/82/92/857818292.db2.gz UKRLVMZHYSAAIO-DNVFCKCGSA-N 1 0 375.516 3.764 20 30 GHEDRO Cc1ccc(CC(=O)N2CCN(Cc3ccccc3C(C)(C)C#N)CC2)cc1 ZINC000487415843 857848310 /nfs/dbraw/zinc/84/83/10/857848310.db2.gz WPXSSIDLNQVPSX-UHFFFAOYSA-N 1 0 375.516 3.683 20 30 GHEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)NC4(C#N)CCCCC4)CC3)c2c1 ZINC000142127526 857889476 /nfs/dbraw/zinc/88/94/76/857889476.db2.gz CKDKRQUIHOHDAK-UHFFFAOYSA-N 1 0 394.519 3.699 20 30 GHEDRO CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000114174916 857924292 /nfs/dbraw/zinc/92/42/92/857924292.db2.gz QWOKSXJJHTVKBO-LJQANCHMSA-N 1 0 390.531 3.923 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000466048889 858012305 /nfs/dbraw/zinc/01/23/05/858012305.db2.gz JYNDLUBZXYHUSS-CZUORRHYSA-N 1 0 398.320 3.769 20 30 GHEDRO C[N@H+](CCCOCc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000281340244 862981321 /nfs/dbraw/zinc/98/13/21/862981321.db2.gz SPWJZRVVYDOROJ-UHFFFAOYSA-N 1 0 389.503 3.897 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(OC)c1 ZINC000159747965 862983336 /nfs/dbraw/zinc/98/33/36/862983336.db2.gz IRKHJCRBOXOSRI-PZJWPPBQSA-N 1 0 382.504 3.704 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594436644 858177574 /nfs/dbraw/zinc/17/75/74/858177574.db2.gz FEZOOFCKXMTDRA-MSOLQXFVSA-N 1 0 381.524 3.734 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000594440804 858177901 /nfs/dbraw/zinc/17/79/01/858177901.db2.gz ZQOFPAADRULGNT-GFCCVEGCSA-N 1 0 380.420 3.761 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000594452206 858179738 /nfs/dbraw/zinc/17/97/38/858179738.db2.gz FAOGERWGNMBZIM-INIZCTEOSA-N 1 0 376.913 3.533 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442866604 858185499 /nfs/dbraw/zinc/18/54/99/858185499.db2.gz IPRRYVGAVZTOCO-KLAILNCOSA-N 1 0 382.508 3.672 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C#N)cc3)C2)cc(OC)c1 ZINC000594497278 858192368 /nfs/dbraw/zinc/19/23/68/858192368.db2.gz GCSZNFDJCLREIE-NRFANRHFSA-N 1 0 393.531 3.869 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000594498927 858193065 /nfs/dbraw/zinc/19/30/65/858193065.db2.gz CZPBQSKDMGRLDA-FQEVSTJZSA-N 1 0 389.478 3.990 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000594516372 858206749 /nfs/dbraw/zinc/20/67/49/858206749.db2.gz YSUBOCCCMLOSCM-WMZHIEFXSA-N 1 0 377.532 3.867 20 30 GHEDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000594520609 858208548 /nfs/dbraw/zinc/20/85/48/858208548.db2.gz LZSCEQLGCDOGTP-HSZRJFAPSA-N 1 0 382.504 3.588 20 30 GHEDRO CCCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H]1CC[N@H+](C)C1 ZINC000592829991 858296357 /nfs/dbraw/zinc/29/63/57/858296357.db2.gz ALDIHCSDEIMIAE-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)c1 ZINC000594932416 858303956 /nfs/dbraw/zinc/30/39/56/858303956.db2.gz PKOQRDJOTJPKAA-IBGZPJMESA-N 1 0 391.515 3.875 20 30 GHEDRO COC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000594969863 858334447 /nfs/dbraw/zinc/33/44/47/858334447.db2.gz RGOXRPWMCDMTSS-HSZRJFAPSA-N 1 0 379.504 3.509 20 30 GHEDRO COc1ccc2nc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)sc2c1 ZINC000594979014 858338209 /nfs/dbraw/zinc/33/82/09/858338209.db2.gz GDDHIBJZSNVNRS-UHFFFAOYSA-N 1 0 379.485 3.972 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]CCc3ccc(OCC(F)(F)F)nc3)cc2)CC1 ZINC000594944491 858341773 /nfs/dbraw/zinc/34/17/73/858341773.db2.gz IZKRWUYHNYZSNH-UHFFFAOYSA-N 1 0 375.394 3.910 20 30 GHEDRO COc1ccc(-n2cc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)cn2)cc1 ZINC000594980309 858356056 /nfs/dbraw/zinc/35/60/56/858356056.db2.gz OZRVWUUIKAKFNW-UHFFFAOYSA-N 1 0 388.471 3.548 20 30 GHEDRO Cn1cc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000594996410 858361875 /nfs/dbraw/zinc/36/18/75/858361875.db2.gz XVEBVDLANSJSCG-UHFFFAOYSA-N 1 0 380.492 3.560 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccccc1C#N ZINC000046715205 858397550 /nfs/dbraw/zinc/39/75/50/858397550.db2.gz LYEZZOMFWVYSMN-GOSISDBHSA-N 1 0 377.488 3.628 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)Cc3ccccc3CC#N)CCC[N@@H+]2C)cc1 ZINC000761104203 858455240 /nfs/dbraw/zinc/45/52/40/858455240.db2.gz CSILEUWTGAZQJL-XUZZJYLKSA-N 1 0 392.499 3.930 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C[NH+]1CCCC1 ZINC000115338350 858497367 /nfs/dbraw/zinc/49/73/67/858497367.db2.gz FPYDTLKELAHJLC-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000595443583 858532311 /nfs/dbraw/zinc/53/23/11/858532311.db2.gz VWVVBBKFKICOSI-ZDUSSCGKSA-N 1 0 392.377 3.980 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000522061875 858584552 /nfs/dbraw/zinc/58/45/52/858584552.db2.gz BXTGHSZJYMCWID-WIYYLYMNSA-N 1 0 379.504 3.886 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000281445292 863042459 /nfs/dbraw/zinc/04/24/59/863042459.db2.gz FPSIGXZBODILLG-NMIHRBCNSA-N 1 0 385.552 3.662 20 30 GHEDRO N#CC[C@@H]1CCCN(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000595618763 858619260 /nfs/dbraw/zinc/61/92/60/858619260.db2.gz QTPUIFGYPXWEKF-QHCPKHFHSA-N 1 0 375.516 3.884 20 30 GHEDRO CC(C)OCc1cccc(CNC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000595640237 858632021 /nfs/dbraw/zinc/63/20/21/858632021.db2.gz QLWFQOUFFFQGSA-UHFFFAOYSA-N 1 0 379.504 3.624 20 30 GHEDRO CCCOCc1ccccc1CNC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595640643 858635830 /nfs/dbraw/zinc/63/58/30/858635830.db2.gz SRUOIBJKTVTTHT-UHFFFAOYSA-N 1 0 379.504 3.626 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000595671345 858643440 /nfs/dbraw/zinc/64/34/40/858643440.db2.gz QTKBQYZWBPDZRY-NRFANRHFSA-N 1 0 383.879 3.532 20 30 GHEDRO CSc1ccccc1NC(=O)CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764612 858663240 /nfs/dbraw/zinc/66/32/40/858663240.db2.gz IRRPCIBJLPCIEX-UHFFFAOYSA-N 1 0 395.528 3.904 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000595755790 858676709 /nfs/dbraw/zinc/67/67/09/858676709.db2.gz CQYWHLBMFZWAKD-OFNKIYASSA-N 1 0 378.472 3.614 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1Cl ZINC000595786956 858687180 /nfs/dbraw/zinc/68/71/80/858687180.db2.gz DCYUPQFYULCPGP-QFBILLFUSA-N 1 0 375.900 3.821 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1C ZINC000595792427 858689809 /nfs/dbraw/zinc/68/98/09/858689809.db2.gz ZVGQSNSZLQARMZ-IFMALSPDSA-N 1 0 383.536 3.831 20 30 GHEDRO CC(C)c1csc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593136083 858736302 /nfs/dbraw/zinc/73/63/02/858736302.db2.gz KDYOFKUJXDIROZ-UHFFFAOYSA-N 1 0 383.521 3.924 20 30 GHEDRO CC(C)(NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000596093822 858782221 /nfs/dbraw/zinc/78/22/21/858782221.db2.gz XTQAZTFYJAFVQU-GOSISDBHSA-N 1 0 382.533 3.991 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000183682177 858795915 /nfs/dbraw/zinc/79/59/15/858795915.db2.gz UKZCYMYIMVBDQN-GOSISDBHSA-N 1 0 387.487 3.778 20 30 GHEDRO N#Cc1cc2cccnc2nc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000596167971 858811285 /nfs/dbraw/zinc/81/12/85/858811285.db2.gz KCVYHONMIDJOKB-IRLDBZIGSA-N 1 0 383.499 3.992 20 30 GHEDRO Cn1ncc(C#N)c1NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000596226927 858821422 /nfs/dbraw/zinc/82/14/22/858821422.db2.gz SPGDBNJKXKLSTK-HNNXBMFYSA-N 1 0 385.821 3.983 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC=C(c3ccc(OCC)cc3)CC2)CC1 ZINC000093792277 858837607 /nfs/dbraw/zinc/83/76/07/858837607.db2.gz BFCATFKOYXGLDL-UHFFFAOYSA-N 1 0 383.536 3.925 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3cc(Cl)c4ncccc4n3)CC2)c1 ZINC000596296705 858841452 /nfs/dbraw/zinc/84/14/52/858841452.db2.gz ZAQBZNUYBVRJGK-UHFFFAOYSA-N 1 0 377.879 3.653 20 30 GHEDRO COc1ccc(CCn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000596315622 858855249 /nfs/dbraw/zinc/85/52/49/858855249.db2.gz CWVRPOYFUUCWKD-UHFFFAOYSA-N 1 0 399.494 3.530 20 30 GHEDRO N#Cc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1C(F)(F)F ZINC000596422177 858892892 /nfs/dbraw/zinc/89/28/92/858892892.db2.gz CEHDJFLACHVZQF-SFHVURJKSA-N 1 0 375.394 3.756 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000922969106 858907441 /nfs/dbraw/zinc/90/74/41/858907441.db2.gz WJXKNZQSARCIDZ-AZUAARDMSA-N 1 0 398.551 3.810 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)cc1 ZINC000923036240 858972349 /nfs/dbraw/zinc/97/23/49/858972349.db2.gz SGZQWLOUCDEZFU-RTWAWAEBSA-N 1 0 385.552 3.879 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000116434570 858973316 /nfs/dbraw/zinc/97/33/16/858973316.db2.gz ZTXHLPALKPWPFL-SFHVURJKSA-N 1 0 376.504 3.925 20 30 GHEDRO COc1ccc2cc(C[N@H+](C)C[C@H](O)COc3ccc(C#N)cc3)ccc2c1 ZINC000025233743 858996221 /nfs/dbraw/zinc/99/62/21/858996221.db2.gz STPUPZRRSSQYPK-NRFANRHFSA-N 1 0 376.456 3.592 20 30 GHEDRO CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000596695815 859011779 /nfs/dbraw/zinc/01/17/79/859011779.db2.gz CGHFDVBHPMVUBP-NRFANRHFSA-N 1 0 392.503 3.890 20 30 GHEDRO C=CCCSCCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000596701900 859018021 /nfs/dbraw/zinc/01/80/21/859018021.db2.gz ZDRIGFKRYCRAMD-IRXDYDNUSA-N 1 0 377.554 3.727 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000596723873 859055073 /nfs/dbraw/zinc/05/50/73/859055073.db2.gz NXLZTPDBEZGYPV-MRXNPFEDSA-N 1 0 386.402 3.556 20 30 GHEDRO N#CCCCCCC(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923169225 859096068 /nfs/dbraw/zinc/09/60/68/859096068.db2.gz ZMPBHPRKWSZYBH-OAQYLSRUSA-N 1 0 383.536 3.790 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000483099352 859136637 /nfs/dbraw/zinc/13/66/37/859136637.db2.gz DTOSMBBJAGNOFX-FPOVZHCZSA-N 1 0 385.479 3.792 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@](C)(C#N)C2)CC1 ZINC000596929671 859158558 /nfs/dbraw/zinc/15/85/58/859158558.db2.gz XOFVKBQNJWJKTH-LJQANCHMSA-N 1 0 376.888 3.580 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000596910955 859165712 /nfs/dbraw/zinc/16/57/12/859165712.db2.gz QKWSERBSAFVUHX-KRWDZBQOSA-N 1 0 379.464 3.740 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[NH+]1CCC(C)CC1 ZINC000522358255 859175204 /nfs/dbraw/zinc/17/52/04/859175204.db2.gz VPTMSQJXKSEZBL-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000060404000 859206233 /nfs/dbraw/zinc/20/62/33/859206233.db2.gz IRLFQCWNSNXDDC-UHFFFAOYSA-N 1 0 381.476 3.677 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000596993634 859232947 /nfs/dbraw/zinc/23/29/47/859232947.db2.gz SQPGRMJDJYPWCJ-UHFFFAOYSA-N 1 0 384.483 3.964 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000117004914 859264307 /nfs/dbraw/zinc/26/43/07/859264307.db2.gz UVLPLTCXEDPXNK-UHFFFAOYSA-N 1 0 394.475 3.822 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CC2CC2)C2CCC2)c1C#N ZINC000483287438 859272212 /nfs/dbraw/zinc/27/22/12/859272212.db2.gz CLJVKCYVIMZZOA-UHFFFAOYSA-N 1 0 380.492 3.821 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2)nn(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1=S ZINC000840133923 859275923 /nfs/dbraw/zinc/27/59/23/859275923.db2.gz VGQVWUSTSSGGOH-WBVHZDCISA-N 1 0 389.956 3.514 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCSc3ccccc3)CC2)c1 ZINC000593298732 859315551 /nfs/dbraw/zinc/31/55/51/859315551.db2.gz DRLAYTNOGXTYCP-UHFFFAOYSA-N 1 0 394.544 3.614 20 30 GHEDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764285619 859351723 /nfs/dbraw/zinc/35/17/23/859351723.db2.gz XTCGRPVEYSDNHQ-NZQKXSOJSA-N 1 0 393.531 3.994 20 30 GHEDRO N#Cc1c(F)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000597205445 859360034 /nfs/dbraw/zinc/36/00/34/859360034.db2.gz FNMAUSFREQOHSM-AYHJJNSGSA-N 1 0 381.426 3.762 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000429437954 859372774 /nfs/dbraw/zinc/37/27/74/859372774.db2.gz QGGPXCCDLDWVPN-HIFRSBDPSA-N 1 0 391.284 3.962 20 30 GHEDRO COc1cc(C[NH+](C)C)ccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000601619313 859379061 /nfs/dbraw/zinc/37/90/61/859379061.db2.gz AKMJFSRNBFWAKS-UHFFFAOYSA-N 1 0 398.532 3.680 20 30 GHEDRO COc1ccc(OCc2nc(C[NH2+]CCc3cccc(C#N)c3)cs2)cc1 ZINC000466425005 859452738 /nfs/dbraw/zinc/45/27/38/859452738.db2.gz KVMHHIBDXAILMO-UHFFFAOYSA-N 1 0 379.485 3.935 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000132545917 859505473 /nfs/dbraw/zinc/50/54/73/859505473.db2.gz UMAALIOGEFPCNM-IBGZPJMESA-N 1 0 395.528 3.822 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597426636 859529591 /nfs/dbraw/zinc/52/95/91/859529591.db2.gz GUJQVJOHCBMGBM-UHFFFAOYSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[C@@H](Oc1ccccc1F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352508 859534630 /nfs/dbraw/zinc/53/46/30/859534630.db2.gz CVTZUOLQOBYXBZ-OAQYLSRUSA-N 1 0 395.478 3.636 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)CC2)c1 ZINC000593352522 859535135 /nfs/dbraw/zinc/53/51/35/859535135.db2.gz DNQSGBSLIXMCME-CTNGQTDRSA-N 1 0 395.453 3.721 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@]3(F)c3ccccc3)CC2)c1 ZINC000593349053 859541296 /nfs/dbraw/zinc/54/12/96/859541296.db2.gz PIMFCZLVQYQNCZ-JTHBVZDNSA-N 1 0 377.463 3.524 20 30 GHEDRO CC(C)Oc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593354290 859552808 /nfs/dbraw/zinc/55/28/08/859552808.db2.gz OPDFQMLSEBRCQF-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO C[C@]1(c2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593358590 859561235 /nfs/dbraw/zinc/56/12/35/859561235.db2.gz JDIHCQIQCLUNIF-ISKFKSNPSA-N 1 0 388.515 3.552 20 30 GHEDRO N#CC1(CC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000597474406 859562319 /nfs/dbraw/zinc/56/23/19/859562319.db2.gz DYVVLALGNHTIJV-UHFFFAOYSA-N 1 0 383.536 3.684 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)CC3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000597481665 859568313 /nfs/dbraw/zinc/56/83/13/859568313.db2.gz WJIOKYACJNQGBQ-IRLDBZIGSA-N 1 0 381.520 3.953 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000060575761 859572182 /nfs/dbraw/zinc/57/21/82/859572182.db2.gz DKHFFTYNTIWYDY-UHFFFAOYSA-N 1 0 387.936 3.894 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccccc1Cl ZINC000060575749 859572331 /nfs/dbraw/zinc/57/23/31/859572331.db2.gz CGXPRJMFTWKFDB-UHFFFAOYSA-N 1 0 387.936 3.894 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3C[C@@H]3C3CCCCC3)CC2)c1 ZINC000593359940 859586070 /nfs/dbraw/zinc/58/60/70/859586070.db2.gz RXIQJVSOKSGZRW-YADHBBJMSA-N 1 0 380.536 3.791 20 30 GHEDRO CC(C)C[N@H+](CCc1ccc(F)cc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611089114 859599884 /nfs/dbraw/zinc/59/98/84/859599884.db2.gz VRNBFLDNEWYJKL-UHFFFAOYSA-N 1 0 388.508 3.672 20 30 GHEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611089478 859600927 /nfs/dbraw/zinc/60/09/27/859600927.db2.gz MQDMNVNRDONFBI-OAQYLSRUSA-N 1 0 388.508 3.670 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000601898887 859616683 /nfs/dbraw/zinc/61/66/83/859616683.db2.gz ONLRLCVFUPSEOD-QHCPKHFHSA-N 1 0 398.595 3.753 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1 ZINC000597587055 859669883 /nfs/dbraw/zinc/66/98/83/859669883.db2.gz NWXGNLXHGVTUJD-UHFFFAOYSA-N 1 0 379.435 3.848 20 30 GHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118028442 859691982 /nfs/dbraw/zinc/69/19/82/859691982.db2.gz IKIVAORHPZFNCX-IBGZPJMESA-N 1 0 394.475 3.583 20 30 GHEDRO C[C@@H](CCCC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593395745 859712433 /nfs/dbraw/zinc/71/24/33/859712433.db2.gz GREFDGRRXNJSQK-HNNXBMFYSA-N 1 0 396.457 3.943 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1C#N ZINC000611347861 859723197 /nfs/dbraw/zinc/72/31/97/859723197.db2.gz QOVAFKKDXPRBBD-WFXMLNOXSA-N 1 0 377.536 3.890 20 30 GHEDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000611386276 859730808 /nfs/dbraw/zinc/73/08/08/859730808.db2.gz HAKPCTMLPZMQDF-IIBYNOLFSA-N 1 0 393.487 3.590 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1cccc(C#N)c1 ZINC000611389090 859732748 /nfs/dbraw/zinc/73/27/48/859732748.db2.gz QLQZJNMYVRMJHS-DNVCBOLYSA-N 1 0 388.427 3.773 20 30 GHEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000611387896 859733048 /nfs/dbraw/zinc/73/30/48/859733048.db2.gz HNSVYZNUKIVYKA-UZLBHIALSA-N 1 0 393.487 3.590 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611388265 859733259 /nfs/dbraw/zinc/73/32/59/859733259.db2.gz DWDWPSXOCOZMTF-INIZCTEOSA-N 1 0 387.487 3.959 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000611391940 859735072 /nfs/dbraw/zinc/73/50/72/859735072.db2.gz BLBWUXDARCROML-GOSISDBHSA-N 1 0 384.277 3.926 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000611391709 859735213 /nfs/dbraw/zinc/73/52/13/859735213.db2.gz BMXRRFGSALVZDN-PKTZIBPZSA-N 1 0 379.479 3.738 20 30 GHEDRO C#CCC1(O)CC[NH+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000895675990 859781003 /nfs/dbraw/zinc/78/10/03/859781003.db2.gz XNNJFRVWOLCJCD-UHFFFAOYSA-N 1 0 395.499 3.633 20 30 GHEDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000611531871 859797958 /nfs/dbraw/zinc/79/79/58/859797958.db2.gz FTLRJQIVXLEALW-FQEVSTJZSA-N 1 0 394.519 3.875 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(=O)NC)c2)cc1 ZINC000765238129 859858760 /nfs/dbraw/zinc/85/87/60/859858760.db2.gz LTQRUKMVFJKSMU-INIZCTEOSA-N 1 0 388.895 3.794 20 30 GHEDRO C=CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000597886243 859893940 /nfs/dbraw/zinc/89/39/40/859893940.db2.gz WDWNRBKLORMAHS-OAQYLSRUSA-N 1 0 379.504 3.773 20 30 GHEDRO CN=[S@@](C)(=O)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000895738144 859899991 /nfs/dbraw/zinc/89/99/91/859899991.db2.gz ZUZCSURQFNQPIB-MHZLTWQESA-N 1 0 382.533 3.721 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000161386295 859915181 /nfs/dbraw/zinc/91/51/81/859915181.db2.gz HWCXNIAHZAXBSX-KRWDZBQOSA-N 1 0 378.398 3.718 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cccc(NC(=O)c4ccc(F)cc4)c3)n2c1 ZINC000123381030 859939124 /nfs/dbraw/zinc/93/91/24/859939124.db2.gz RPLPFIZUZOXELZ-UHFFFAOYSA-N 1 0 399.429 3.887 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000484334775 859953632 /nfs/dbraw/zinc/95/36/32/859953632.db2.gz DBKGUJNKMKJPCI-JOCHJYFZSA-N 1 0 397.567 3.725 20 30 GHEDRO C=CCC1(O)CC[NH+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 ZINC000895835142 859997295 /nfs/dbraw/zinc/99/72/95/859997295.db2.gz AOETUYKWKGXFHU-UHFFFAOYSA-N 1 0 399.560 3.550 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508919114 860012227 /nfs/dbraw/zinc/01/22/27/860012227.db2.gz PMPSKPBXODHDMU-GHTZIAJQSA-N 1 0 395.526 3.647 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c(F)cccc1C#N ZINC000552211997 860018229 /nfs/dbraw/zinc/01/82/29/860018229.db2.gz NQGGDXQMFOTCBD-OAQYLSRUSA-N 1 0 379.479 3.657 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484484805 860023945 /nfs/dbraw/zinc/02/39/45/860023945.db2.gz COTVXBICOWYDBC-SWLSCSKDSA-N 1 0 382.386 3.547 20 30 GHEDRO CC(C)c1csc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000154260598 860039316 /nfs/dbraw/zinc/03/93/16/860039316.db2.gz FHOOXBSGGHZFMK-UHFFFAOYSA-N 1 0 397.548 3.556 20 30 GHEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N2CCCCC2)cc1 ZINC000602498936 860064774 /nfs/dbraw/zinc/06/47/74/860064774.db2.gz MYRPDOUEZXPJQJ-SIKLNZKXSA-N 1 0 385.552 3.911 20 30 GHEDRO CC(C)(CC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513403 860066999 /nfs/dbraw/zinc/06/69/99/860066999.db2.gz JGSOGHUWUBLCFY-UHFFFAOYSA-N 1 0 382.430 3.553 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)CC2)c1 ZINC000593511198 860069923 /nfs/dbraw/zinc/06/99/23/860069923.db2.gz VQBOWMPFNLOZJF-CVFDLSLPSA-N 1 0 392.547 3.743 20 30 GHEDRO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513608 860079581 /nfs/dbraw/zinc/07/95/81/860079581.db2.gz LURWWCXZSIPDLR-RDTXWAMCSA-N 1 0 394.441 3.505 20 30 GHEDRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602527030 860099513 /nfs/dbraw/zinc/09/95/13/860099513.db2.gz ICMCFCUUKHBBCE-WBVHZDCISA-N 1 0 377.916 3.616 20 30 GHEDRO N#CC1CCC([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000602531534 860100378 /nfs/dbraw/zinc/10/03/78/860100378.db2.gz UOQDFUWKOPJNLK-XUJQIHCRSA-N 1 0 381.442 3.751 20 30 GHEDRO Cc1nc(-c2ccccn2)nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593514531 860103695 /nfs/dbraw/zinc/10/36/95/860103695.db2.gz FWKAVLZGRTYTNG-UHFFFAOYSA-N 1 0 398.514 3.526 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000602549901 860125091 /nfs/dbraw/zinc/12/50/91/860125091.db2.gz FLEQCRSRJYETIR-HOTGVXAUSA-N 1 0 397.441 3.852 20 30 GHEDRO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)nc12 ZINC000602613059 860171708 /nfs/dbraw/zinc/17/17/08/860171708.db2.gz MUTPESOHGWUTAH-AWEZNQCLSA-N 1 0 391.313 3.594 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000555182073 860187585 /nfs/dbraw/zinc/18/75/85/860187585.db2.gz WJVOSYQIRBXLHY-GOSISDBHSA-N 1 0 386.503 3.547 20 30 GHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508954844 860238588 /nfs/dbraw/zinc/23/85/88/860238588.db2.gz YVMMKROZZIKOMT-WMZOPIPTSA-N 1 0 383.565 3.954 20 30 GHEDRO C=CC[N@@H+](CC(=O)NCC(=O)Nc1cccc(Cl)c1C)CC1CCCCC1 ZINC000484671076 860241487 /nfs/dbraw/zinc/24/14/87/860241487.db2.gz RDAILPDUTYUERB-UHFFFAOYSA-N 1 0 391.943 3.771 20 30 GHEDRO N#CCC1(C[NH+]2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)CC1 ZINC000602781190 860266696 /nfs/dbraw/zinc/26/66/96/860266696.db2.gz KHAISJLYLUMBMF-UHFFFAOYSA-N 1 0 397.416 3.988 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000124259090 860294776 /nfs/dbraw/zinc/29/47/76/860294776.db2.gz YGVOIDJKUSVPLB-IBGZPJMESA-N 1 0 395.503 3.828 20 30 GHEDRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907094 860341522 /nfs/dbraw/zinc/34/15/22/860341522.db2.gz LEGZUKDPGQSRHI-UHFFFAOYSA-N 1 0 378.476 3.560 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@H]2C1 ZINC000329434369 860359591 /nfs/dbraw/zinc/35/95/91/860359591.db2.gz LCNMYOCIONPHTB-UTKZUKDTSA-N 1 0 376.460 3.908 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170397659 881529998 /nfs/dbraw/zinc/52/99/98/881529998.db2.gz FPOLKTQOVWOVOX-ZWOUTAOBSA-N 1 0 381.520 3.942 20 30 GHEDRO N#CCCCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000598510742 860371068 /nfs/dbraw/zinc/37/10/68/860371068.db2.gz PMHDLRJAVJGQQX-HXUWFJFHSA-N 1 0 386.499 3.949 20 30 GHEDRO CCC1([NH+](C)C)CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000602966682 860399220 /nfs/dbraw/zinc/39/92/20/860399220.db2.gz OBJWXOBTLGCZKU-KRWDZBQOSA-N 1 0 388.581 3.683 20 30 GHEDRO CCC1([NH+](C)C)CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000602967926 860399259 /nfs/dbraw/zinc/39/92/59/860399259.db2.gz UWEFLMXYFIULQQ-UHFFFAOYSA-N 1 0 388.581 3.633 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2(CC3CC3)CCS(=O)(=O)CC2)CC1 ZINC001170373259 881534315 /nfs/dbraw/zinc/53/43/15/881534315.db2.gz ASGZKUZSMYFZHW-UHFFFAOYSA-N 1 0 386.561 3.728 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000783532650 860402613 /nfs/dbraw/zinc/40/26/13/860402613.db2.gz SSRYXNLZERFXJS-INIZCTEOSA-N 1 0 377.481 3.656 20 30 GHEDRO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590832 860436064 /nfs/dbraw/zinc/43/60/64/860436064.db2.gz QUOCXKUFVRSBTM-GOEBONIOSA-N 1 0 381.314 3.895 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000598597345 860439920 /nfs/dbraw/zinc/43/99/20/860439920.db2.gz XFOPHBIKQDDJBF-CVEARBPZSA-N 1 0 398.288 3.729 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000195126173 860443263 /nfs/dbraw/zinc/44/32/63/860443263.db2.gz OWGJPRNQKKTEPK-UHFFFAOYSA-N 1 0 398.938 3.620 20 30 GHEDRO COCCO[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000555341385 860480000 /nfs/dbraw/zinc/48/00/00/860480000.db2.gz CFBUVOXATXZHJU-QHCPKHFHSA-N 1 0 380.488 3.765 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000170935412 860495541 /nfs/dbraw/zinc/49/55/41/860495541.db2.gz LQARPVLGZLPADG-NRFANRHFSA-N 1 0 380.467 3.642 20 30 GHEDRO COc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)cc1OCCCC#N ZINC000896197391 860521781 /nfs/dbraw/zinc/52/17/81/860521781.db2.gz CZALRFDNJDPWNC-UHFFFAOYSA-N 1 0 380.492 3.849 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1OCCCC#N ZINC000896222054 860538364 /nfs/dbraw/zinc/53/83/64/860538364.db2.gz DOAIBQLSUNCYLZ-QPPBQGQZSA-N 1 0 392.499 3.778 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000331260532 860571415 /nfs/dbraw/zinc/57/14/15/860571415.db2.gz AYBXRUJHJHZKTK-IUODEOHRSA-N 1 0 384.402 3.793 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000155688057 860575617 /nfs/dbraw/zinc/57/56/17/860575617.db2.gz PTLJNBVJFSGONO-UHFFFAOYSA-N 1 0 397.906 3.829 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000129686703 860611016 /nfs/dbraw/zinc/61/10/16/860611016.db2.gz VJIURDMNAAMVMT-VPWXQRGCSA-N 1 0 383.517 3.586 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)c1 ZINC000896363329 860674584 /nfs/dbraw/zinc/67/45/84/860674584.db2.gz WKBQXOTYLKOGDR-DENIHFKCSA-N 1 0 395.503 3.732 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599637 881574201 /nfs/dbraw/zinc/57/42/01/881574201.db2.gz LTUKWTOPUHKGRD-OAQYLSRUSA-N 1 0 382.483 3.586 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)c3cccc(C[NH+]4CCCC4)c3)CCOCC2)c1 ZINC000598247570 881583414 /nfs/dbraw/zinc/58/34/14/881583414.db2.gz DNEULTKZCVFTQH-UHFFFAOYSA-N 1 0 389.499 3.590 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3c[nH]nc3-c3ccccc3F)CC2)c1 ZINC000593693049 860864674 /nfs/dbraw/zinc/86/46/74/860864674.db2.gz MZORPHVQLOKLOI-UHFFFAOYSA-N 1 0 389.478 3.842 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000329062864 860986594 /nfs/dbraw/zinc/98/65/94/860986594.db2.gz KAIHVYCGSJDVPX-UHFFFAOYSA-N 1 0 396.535 3.722 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cc2cc(F)cc3c2OCOC3)C1 ZINC000329073701 860995152 /nfs/dbraw/zinc/99/51/52/860995152.db2.gz AYTVWTLAPPEEEL-HUUCEWRRSA-N 1 0 378.488 3.948 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)C1 ZINC000329128058 861043383 /nfs/dbraw/zinc/04/33/83/861043383.db2.gz VEBWUGYNVAKFDG-MJGOQNOKSA-N 1 0 387.524 3.629 20 30 GHEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000329148336 861067566 /nfs/dbraw/zinc/06/75/66/861067566.db2.gz PQODXTHTDYBPJQ-QAPCUYQASA-N 1 0 375.538 3.727 20 30 GHEDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000329149264 861068076 /nfs/dbraw/zinc/06/80/76/861068076.db2.gz QLBPCFOABMUESN-HXUWFJFHSA-N 1 0 398.482 3.855 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CCOCC1 ZINC000599336279 861101784 /nfs/dbraw/zinc/10/17/84/861101784.db2.gz KNLUPSILOORJNI-MSOLQXFVSA-N 1 0 392.927 3.502 20 30 GHEDRO CC(C)[NH+](CCN(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1)C(C)C ZINC000429092934 861111563 /nfs/dbraw/zinc/11/15/63/861111563.db2.gz YCWUBLQOIUPSPS-UHFFFAOYSA-N 1 0 381.524 3.655 20 30 GHEDRO C[C@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000329208780 861140433 /nfs/dbraw/zinc/14/04/33/861140433.db2.gz YUJHXZINFVMEAK-IAGOWNOFSA-N 1 0 396.535 3.548 20 30 GHEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N ZINC000599381818 861144770 /nfs/dbraw/zinc/14/47/70/861144770.db2.gz PVJXDWVGYPZTMC-KRWDZBQOSA-N 1 0 383.517 3.600 20 30 GHEDRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]C1CCN(CC#N)CC1 ZINC000730578705 861168298 /nfs/dbraw/zinc/16/82/98/861168298.db2.gz LNWPJCBSQPUGBT-UHFFFAOYSA-N 1 0 378.307 3.565 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000329232845 861178680 /nfs/dbraw/zinc/17/86/80/861178680.db2.gz GJUWXGVLOVJVBA-SOLBZPMBSA-N 1 0 382.508 3.737 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1OC ZINC000623540650 861181382 /nfs/dbraw/zinc/18/13/82/861181382.db2.gz AMSBRTASHLPPFG-MAUKXSAKSA-N 1 0 391.899 3.657 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)CCOCC1 ZINC000599412875 861181530 /nfs/dbraw/zinc/18/15/30/861181530.db2.gz PTTRQYZHZUAKQE-XLIONFOSSA-N 1 0 378.463 3.620 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000062205169 863071143 /nfs/dbraw/zinc/07/11/43/863071143.db2.gz DTQCAHITVIRNFQ-QGZVFWFLSA-N 1 0 398.334 3.747 20 30 GHEDRO CCCc1c(NC(=O)NCCC2CC[NH+](C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439664084 863163177 /nfs/dbraw/zinc/16/31/77/863163177.db2.gz FLKOVXLJWLLYDV-UHFFFAOYSA-N 1 0 394.523 3.550 20 30 GHEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160132300 863340895 /nfs/dbraw/zinc/34/08/95/863340895.db2.gz ADIJSBDPMCVSDT-IEBWSBKVSA-N 1 0 394.494 3.982 20 30 GHEDRO CCCc1c(NC(=O)NCC[N@H+](CC)C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439684329 863394299 /nfs/dbraw/zinc/39/42/99/863394299.db2.gz RLUFXJJUODNFCR-UHFFFAOYSA-N 1 0 382.512 3.548 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000593949108 863451544 /nfs/dbraw/zinc/45/15/44/863451544.db2.gz VRMPGJJSLORTTI-GOSISDBHSA-N 1 0 376.504 3.517 20 30 GHEDRO COC(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCCCC1 ZINC000183235562 863515953 /nfs/dbraw/zinc/51/59/53/863515953.db2.gz SCEDKGMXACCJGQ-UHFFFAOYSA-N 1 0 380.492 3.677 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444163398 863580563 /nfs/dbraw/zinc/58/05/63/863580563.db2.gz CLPUDPCIMWFCBO-ROUUACIJSA-N 1 0 388.581 3.683 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000606468872 863649871 /nfs/dbraw/zinc/64/98/71/863649871.db2.gz IFZWLNIJJLYZBX-UNMCSNQZSA-N 1 0 397.490 3.889 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000606468870 863650261 /nfs/dbraw/zinc/65/02/61/863650261.db2.gz IFZWLNIJJLYZBX-IRLDBZIGSA-N 1 0 397.490 3.889 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508467646 863659383 /nfs/dbraw/zinc/65/93/83/863659383.db2.gz YYYKFJITWUXYEM-IBGZPJMESA-N 1 0 383.540 3.751 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593986835 863669311 /nfs/dbraw/zinc/66/93/11/863669311.db2.gz IFTSTMATWKMFRF-XXBNENTESA-N 1 0 375.516 3.717 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](OC3CCC3)C2)sc2c1CCCC2 ZINC000594026558 863772546 /nfs/dbraw/zinc/77/25/46/863772546.db2.gz MDDBRFXSMFVDEH-MRXNPFEDSA-N 1 0 387.549 3.861 20 30 GHEDRO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000554187241 863842361 /nfs/dbraw/zinc/84/23/61/863842361.db2.gz HZDFZPLIKRLLQB-ACJLOTCBSA-N 1 0 388.418 3.973 20 30 GHEDRO CC(C)(C)OC(=O)CCCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594056985 863928385 /nfs/dbraw/zinc/92/83/85/863928385.db2.gz XDFFNHIZIKSNEN-UHFFFAOYSA-N 1 0 399.535 3.541 20 30 GHEDRO N#Cc1c(C#N)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2c1CCCCCC2 ZINC000480083349 864029407 /nfs/dbraw/zinc/02/94/07/864029407.db2.gz HNGKDPPCSCYWGU-HXOBKFHXSA-N 1 0 389.547 3.937 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1OCC(F)(F)F ZINC000609205129 881721711 /nfs/dbraw/zinc/72/17/11/881721711.db2.gz HBCMHNSBMJQWPD-INIZCTEOSA-N 1 0 396.413 3.591 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)ccc1OC ZINC000237415545 864181535 /nfs/dbraw/zinc/18/15/35/864181535.db2.gz ZUZCMNCKQNSKLT-JOCHJYFZSA-N 1 0 396.531 3.641 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000043166591 864211466 /nfs/dbraw/zinc/21/14/66/864211466.db2.gz QWPRLVGBWYSZPJ-HXUWFJFHSA-N 1 0 394.544 3.869 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(C#N)cc1 ZINC000128385192 864280350 /nfs/dbraw/zinc/28/03/50/864280350.db2.gz KUAVJAXLUZHYKI-UHFFFAOYSA-N 1 0 384.411 3.845 20 30 GHEDRO CC(C)N1C(=O)C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000480243440 864306752 /nfs/dbraw/zinc/30/67/52/864306752.db2.gz DRRIZCIWPMTXKM-UYAOXDASSA-N 1 0 388.874 3.529 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOc3cccc(Cl)c3)CC2)cc1 ZINC000042024954 864343527 /nfs/dbraw/zinc/34/35/27/864343527.db2.gz HHKBTCWEMHIHMK-UHFFFAOYSA-N 1 0 397.906 3.715 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000734663707 864389722 /nfs/dbraw/zinc/38/97/22/864389722.db2.gz BNNLDTNEHCFMPL-IFMALSPDSA-N 1 0 378.520 3.910 20 30 GHEDRO CC(C)N(C)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000480344968 864531848 /nfs/dbraw/zinc/53/18/48/864531848.db2.gz SYNIHLVMLXCAIC-IBGZPJMESA-N 1 0 381.499 3.696 20 30 GHEDRO C[NH+]=C(NCc1ccco1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000262462241 864540755 /nfs/dbraw/zinc/54/07/55/864540755.db2.gz SKZNUQNKEMUQOZ-JOCQHMNTSA-N 1 0 380.261 3.792 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000554618868 864623069 /nfs/dbraw/zinc/62/30/69/864623069.db2.gz JXLHCJFYKJFQRE-UXHICEINSA-N 1 0 394.567 3.925 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000667674227 864630561 /nfs/dbraw/zinc/63/05/61/864630561.db2.gz XZLGYZDAKVSWPL-GXTWGEPZSA-N 1 0 382.302 3.605 20 30 GHEDRO C=CC[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000063381148 864645720 /nfs/dbraw/zinc/64/57/20/864645720.db2.gz BTRAUWOBOQPLFO-UHFFFAOYSA-N 1 0 387.867 3.943 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000475260461 864668183 /nfs/dbraw/zinc/66/81/83/864668183.db2.gz MEQABAXVAIHPHF-FQEVSTJZSA-N 1 0 397.563 3.954 20 30 GHEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455947347 864677330 /nfs/dbraw/zinc/67/73/30/864677330.db2.gz ROFRBCDTEMCWBN-UHFFFAOYSA-N 1 0 398.532 3.799 20 30 GHEDRO C[C@]12CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]1C2(Cl)Cl ZINC000792906857 881793486 /nfs/dbraw/zinc/79/34/86/881793486.db2.gz OHIBYEIDONDYKM-PBHICJAKSA-N 1 0 398.359 3.953 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000609817933 864971052 /nfs/dbraw/zinc/97/10/52/864971052.db2.gz VENUTHSFGMSUFB-HXUWFJFHSA-N 1 0 392.528 3.623 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)C2)c(F)c1 ZINC000237951146 881822612 /nfs/dbraw/zinc/82/26/12/881822612.db2.gz CKLSJTWBFJBHIM-IBGZPJMESA-N 1 0 393.441 3.781 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000173801655 865084435 /nfs/dbraw/zinc/08/44/35/865084435.db2.gz UYWXQRFELOHNIO-GOSISDBHSA-N 1 0 387.499 3.814 20 30 GHEDRO N#CC[C@H](CC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)c1ccccc1 ZINC000899047764 865180484 /nfs/dbraw/zinc/18/04/84/865180484.db2.gz UWJRIZZVQXXGNU-OAHLLOKOSA-N 1 0 381.867 3.737 20 30 GHEDRO CCCOc1cccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063750517 865304420 /nfs/dbraw/zinc/30/44/20/865304420.db2.gz RIKFZZZZOWAAOZ-UHFFFAOYSA-N 1 0 379.504 3.874 20 30 GHEDRO COc1ccc(CN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C2CC2)cc1 ZINC000063750947 865306606 /nfs/dbraw/zinc/30/66/06/865306606.db2.gz QBUHQGRPZCFURX-UHFFFAOYSA-N 1 0 391.515 3.968 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)Cc1ccccc1 ZINC000594208944 865407844 /nfs/dbraw/zinc/40/78/44/865407844.db2.gz ISNDXZRAHQSABC-QFIPXVFZSA-N 1 0 376.504 3.537 20 30 GHEDRO C=CCCS(=O)(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000480947333 865549131 /nfs/dbraw/zinc/54/91/31/865549131.db2.gz DDUPDJMEHFKINF-MRXNPFEDSA-N 1 0 378.460 3.584 20 30 GHEDRO C[C@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000594249767 865604781 /nfs/dbraw/zinc/60/47/81/865604781.db2.gz WSSCCALOVWWOTC-UWJYYQICSA-N 1 0 376.504 3.928 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000594307229 865747757 /nfs/dbraw/zinc/74/77/57/865747757.db2.gz KRCIKWLTLDIOCX-WOJBJXKFSA-N 1 0 375.516 3.860 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000174277882 865893581 /nfs/dbraw/zinc/89/35/81/865893581.db2.gz DMNKPYKBDCFRJX-UHFFFAOYSA-N 1 0 395.526 3.967 20 30 GHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740443680 865911960 /nfs/dbraw/zinc/91/19/60/865911960.db2.gz JGQYTSDNTZYGNH-QGZVFWFLSA-N 1 0 382.533 3.818 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+]1CCCC[C@@H]1C ZINC000609058187 865941403 /nfs/dbraw/zinc/94/14/03/865941403.db2.gz YNPSSTHHAHUDHW-IRXDYDNUSA-N 1 0 381.476 3.723 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481182331 865942685 /nfs/dbraw/zinc/94/26/85/865942685.db2.gz BETRWYNMQXCKTK-HRAATJIYSA-N 1 0 396.922 3.650 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2)c1 ZINC000174930311 865956838 /nfs/dbraw/zinc/95/68/38/865956838.db2.gz BOQSWBPEDZYZGT-LJQANCHMSA-N 1 0 395.503 3.755 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2SCc2csc(C)n2)CC1 ZINC000740736070 865973807 /nfs/dbraw/zinc/97/38/07/865973807.db2.gz CDVQYPICHPWGNB-UHFFFAOYSA-N 1 0 399.585 3.961 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000740746010 865992830 /nfs/dbraw/zinc/99/28/30/865992830.db2.gz UFWVMNQQEVAUKO-QHCPKHFHSA-N 1 0 390.531 3.726 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555364358 865996751 /nfs/dbraw/zinc/99/67/51/865996751.db2.gz ZPTXWPLOACRDCF-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001170426421 881927826 /nfs/dbraw/zinc/92/78/26/881927826.db2.gz RXKAWXMGISSZQM-NRFANRHFSA-N 1 0 391.515 3.862 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC(=O)N2Cc3ccccc3C2)c1 ZINC000475495530 866039363 /nfs/dbraw/zinc/03/93/63/866039363.db2.gz MMRKMHHVFYKFRX-UHFFFAOYSA-N 1 0 397.478 3.769 20 30 GHEDRO N#Cc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000143342888 866051804 /nfs/dbraw/zinc/05/18/04/866051804.db2.gz AOGXYFWVUBHWKK-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)[C@H](C)Oc3ccc(C#N)cc3)CC[N@@H+]2C)cc1 ZINC000741121603 866244558 /nfs/dbraw/zinc/24/45/58/866244558.db2.gz XCRFFTYGLUANJM-DKZVUGQWSA-N 1 0 394.471 3.570 20 30 GHEDRO CON=Cc1ccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000741125025 866255901 /nfs/dbraw/zinc/25/59/01/866255901.db2.gz SMTZCMJYCKEBNJ-PZJWPPBQSA-N 1 0 382.460 3.525 20 30 GHEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000183223509 866398208 /nfs/dbraw/zinc/39/82/08/866398208.db2.gz RYWYOPQEENWVPY-QFIPXVFZSA-N 1 0 387.487 3.978 20 30 GHEDRO COCCOc1ccc(C#N)cc1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000183225842 866398416 /nfs/dbraw/zinc/39/84/16/866398416.db2.gz UEJHUPJZEIZWBE-UHFFFAOYSA-N 1 0 397.494 3.842 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000741519162 866592782 /nfs/dbraw/zinc/59/27/82/866592782.db2.gz IWARHHWQIZQLNV-QHCPKHFHSA-N 1 0 392.499 3.664 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000741668250 866686393 /nfs/dbraw/zinc/68/63/93/866686393.db2.gz KTWHQLILXDFQCB-NRFANRHFSA-N 1 0 382.891 3.919 20 30 GHEDRO C[C@H](Cc1cccc(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000534399926 866715927 /nfs/dbraw/zinc/71/59/27/866715927.db2.gz AEYZPYKYXQQUQJ-QGZVFWFLSA-N 1 0 383.923 3.981 20 30 GHEDRO C#CCOc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000741689378 866723768 /nfs/dbraw/zinc/72/37/68/866723768.db2.gz JZGNXFRXORPDKD-UHFFFAOYSA-N 1 0 396.918 3.994 20 30 GHEDRO C=C(C)[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)OCC ZINC000534427490 866743353 /nfs/dbraw/zinc/74/33/53/866743353.db2.gz MAGSCFBAVGOHHO-GOSISDBHSA-N 1 0 397.357 3.711 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)c1 ZINC000115766827 866785701 /nfs/dbraw/zinc/78/57/01/866785701.db2.gz DYBNHAOGRZAWEM-NQIIRXRSSA-N 1 0 389.540 3.900 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000456550863 866810375 /nfs/dbraw/zinc/81/03/75/866810375.db2.gz LVMCMGAIIXNILZ-IBGZPJMESA-N 1 0 393.535 3.637 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1 ZINC000523286865 867024474 /nfs/dbraw/zinc/02/44/74/867024474.db2.gz TXXIUHORPCGICX-NRFANRHFSA-N 1 0 389.455 3.763 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000523286389 867026315 /nfs/dbraw/zinc/02/63/15/867026315.db2.gz PZQWAQHVHLUUHZ-UHFFFAOYSA-N 1 0 395.503 3.924 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000189933002 882044142 /nfs/dbraw/zinc/04/41/42/882044142.db2.gz XLQIXQQONXBZMR-QMMMGPOBSA-N 1 0 397.310 3.927 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNc3ccc(C#N)cc3)cc2)C1 ZINC000050031935 882045434 /nfs/dbraw/zinc/04/54/34/882045434.db2.gz SDAKJQRJBVTNTD-GOSISDBHSA-N 1 0 376.504 3.518 20 30 GHEDRO CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000523337712 867107246 /nfs/dbraw/zinc/10/72/46/867107246.db2.gz SVAICUGFTNHFIT-XMSQKQJNSA-N 1 0 376.504 3.775 20 30 GHEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508835395 867201389 /nfs/dbraw/zinc/20/13/89/867201389.db2.gz ZMDHUDKMQQCLDV-UHFFFAOYSA-N 1 0 375.520 3.739 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@](C)(O)c1cc(C)oc1C ZINC000742373768 867267501 /nfs/dbraw/zinc/26/75/01/867267501.db2.gz DMOXVKRBCSZYPJ-LJQANCHMSA-N 1 0 392.293 3.668 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000553510815 867565615 /nfs/dbraw/zinc/56/56/15/867565615.db2.gz KOSLGVSCUZXBSN-FOIQADDNSA-N 1 0 392.503 3.577 20 30 GHEDRO COc1cc(C[NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)ccc1C#N ZINC000440630700 867634542 /nfs/dbraw/zinc/63/45/42/867634542.db2.gz RTDXSHOAUDTZNA-UHFFFAOYSA-N 1 0 387.867 3.656 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743195006 867939648 /nfs/dbraw/zinc/93/96/48/867939648.db2.gz RQUWNEJNBYNYCW-IBGZPJMESA-N 1 0 395.478 3.824 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000743194539 867941506 /nfs/dbraw/zinc/94/15/06/867941506.db2.gz OEDCCCBJEUJDCG-UHFFFAOYSA-N 1 0 387.499 3.958 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743201271 867953917 /nfs/dbraw/zinc/95/39/17/867953917.db2.gz LNWFQOXTIDUNSY-IBGZPJMESA-N 1 0 395.478 3.824 20 30 GHEDRO COC(=O)[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000743481250 868210421 /nfs/dbraw/zinc/21/04/21/868210421.db2.gz JJTGMAOZJZHDOI-SXLOBPIMSA-N 1 0 383.517 3.507 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(OC)c1 ZINC000620934199 868246604 /nfs/dbraw/zinc/24/66/04/868246604.db2.gz MJWVEOOCJMYNGL-SFTDATJTSA-N 1 0 383.488 3.706 20 30 GHEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000121577118 882170996 /nfs/dbraw/zinc/17/09/96/882170996.db2.gz OCJVPQLUYDHYFC-UHFFFAOYSA-N 1 0 380.511 3.965 20 30 GHEDRO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000524006336 868418531 /nfs/dbraw/zinc/41/85/31/868418531.db2.gz FWBXAYRFWXOHOV-GOSISDBHSA-N 1 0 379.479 3.925 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)s1 ZINC000442742600 868593662 /nfs/dbraw/zinc/59/36/62/868593662.db2.gz XMAOJQVIFNANRP-KOLCDFICSA-N 1 0 396.335 3.900 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669812788 868716618 /nfs/dbraw/zinc/71/66/18/868716618.db2.gz PWDBRWFLDDQGQS-FQEVSTJZSA-N 1 0 388.519 3.545 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc(OC)c1O ZINC000091949284 882221304 /nfs/dbraw/zinc/22/13/04/882221304.db2.gz QNAFGKSEZKDMFY-QGZVFWFLSA-N 1 0 386.536 3.600 20 30 GHEDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)C1 ZINC000091949505 882223398 /nfs/dbraw/zinc/22/33/98/882223398.db2.gz CJWDQBUPEXZLRA-IBGZPJMESA-N 1 0 382.552 3.507 20 30 GHEDRO C[N@H+](CCOc1cccc(CNc2ccc(C#N)cc2F)c1)C1CCOCC1 ZINC000609075171 868770612 /nfs/dbraw/zinc/77/06/12/868770612.db2.gz PGDNZPFJDQCKKO-UHFFFAOYSA-N 1 0 383.467 3.799 20 30 GHEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000744424396 868827732 /nfs/dbraw/zinc/82/77/32/868827732.db2.gz WFNRYSLGGJERJK-BRWVUGGUSA-N 1 0 380.517 3.830 20 30 GHEDRO Cc1ccc(-c2nnc(CO[NH+]=C(N)c3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000744448388 868850622 /nfs/dbraw/zinc/85/06/22/868850622.db2.gz SIGCKFUANOUOEO-UHFFFAOYSA-N 1 0 391.475 3.872 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508847670 868935684 /nfs/dbraw/zinc/93/56/84/868935684.db2.gz KZPBPFOUWAUIGX-SJLPKXTDSA-N 1 0 387.503 3.520 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000524414701 869038986 /nfs/dbraw/zinc/03/89/86/869038986.db2.gz NGFPXTUFZIHQHF-UHFFFAOYSA-N 1 0 381.476 3.723 20 30 GHEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H](O)c1c(Cl)cccc1Cl ZINC000793584824 882289177 /nfs/dbraw/zinc/28/91/77/882289177.db2.gz SPLVABSLVSFKNX-VOJFVSQTSA-N 1 0 375.259 3.724 20 30 GHEDRO CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000793585602 882291905 /nfs/dbraw/zinc/29/19/05/882291905.db2.gz DANLOIWWACGUPH-OAQYLSRUSA-N 1 0 385.512 3.625 20 30 GHEDRO N#Cc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1Br ZINC000460018402 869452805 /nfs/dbraw/zinc/45/28/05/869452805.db2.gz GJUIPBSTKVOUNU-INIZCTEOSA-N 1 0 396.288 3.946 20 30 GHEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccccc1 ZINC000550834717 882309368 /nfs/dbraw/zinc/30/93/68/882309368.db2.gz CTJZLYULPFZBLA-NHCUHLMSSA-N 1 0 383.517 3.736 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)CC1 ZINC000524750431 869494729 /nfs/dbraw/zinc/49/47/29/869494729.db2.gz QLFBGOSRROTZHR-IBGZPJMESA-N 1 0 379.508 3.552 20 30 GHEDRO C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000462545440 869640336 /nfs/dbraw/zinc/64/03/36/869640336.db2.gz PHNMSERVJTUHOB-GCJKJVERSA-N 1 0 376.504 3.570 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000524906660 869740996 /nfs/dbraw/zinc/74/09/96/869740996.db2.gz QVUYOYCMXOGPMB-UHFFFAOYSA-N 1 0 390.487 3.900 20 30 GHEDRO C[C@@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCc2ccccc21 ZINC000539807683 869817889 /nfs/dbraw/zinc/81/78/89/869817889.db2.gz YXUWVUYMYLAEMH-HSZRJFAPSA-N 1 0 385.471 3.524 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000745822372 869846428 /nfs/dbraw/zinc/84/64/28/869846428.db2.gz GYJDWTIHMHIWAI-NRFANRHFSA-N 1 0 380.467 3.724 20 30 GHEDRO CCN(CC1CC[NH+](CCOc2ccccc2C#N)CC1)C(=O)OC(C)(C)C ZINC000745946355 869899429 /nfs/dbraw/zinc/89/94/29/869899429.db2.gz UCCMDFRWDOQQLM-UHFFFAOYSA-N 1 0 387.524 3.906 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)ccc1OC ZINC000462739062 869994448 /nfs/dbraw/zinc/99/44/48/869994448.db2.gz NHCCULCPYIJKRE-YLJYHZDGSA-N 1 0 380.488 3.934 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000920809140 882390552 /nfs/dbraw/zinc/39/05/52/882390552.db2.gz RRVFXISRQLUFPE-SOLBZPMBSA-N 1 0 380.492 3.728 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@H](C3CC3)C2)c1C#N ZINC001192304065 870304600 /nfs/dbraw/zinc/30/46/00/870304600.db2.gz RAAPCIKVWHJJGH-KRWDZBQOSA-N 1 0 380.467 3.775 20 30 GHEDRO Cc1nc(C(C)C)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000538694355 870317037 /nfs/dbraw/zinc/31/70/37/870317037.db2.gz UEQAMUNDEPMIBY-UHFFFAOYSA-N 1 0 382.533 3.863 20 30 GHEDRO N#CC1(NC(=O)Cc2ccc(-n3cccc3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000538694333 870317461 /nfs/dbraw/zinc/31/74/61/870317461.db2.gz SSTMGWAVAHPCFN-UHFFFAOYSA-N 1 0 398.510 3.694 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609109198 870460601 /nfs/dbraw/zinc/46/06/01/870460601.db2.gz KNJMTQVMSMJRGE-QHCPKHFHSA-N 1 0 390.531 3.637 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(-c2ccccc2)n1 ZINC000092661390 882409659 /nfs/dbraw/zinc/40/96/59/882409659.db2.gz JTAQSERGSSBMLN-QFIPXVFZSA-N 1 0 394.519 3.624 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000462948334 870505167 /nfs/dbraw/zinc/50/51/67/870505167.db2.gz SPTZWBODUGLQAE-FVRICEFQSA-N 1 0 377.463 3.925 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1S(=O)(=O)C(F)F ZINC000766351602 870627195 /nfs/dbraw/zinc/62/71/95/870627195.db2.gz TUWSPNVAWIEGAX-STQMWFEESA-N 1 0 394.443 3.975 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000248786616 870633307 /nfs/dbraw/zinc/63/33/07/870633307.db2.gz IKDFNZRZAXWPGQ-BVYCBKJFSA-N 1 0 376.504 3.851 20 30 GHEDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)[C@H]2C1 ZINC000538799945 870634664 /nfs/dbraw/zinc/63/46/64/870634664.db2.gz GTXVLUZSIPHQBO-NHTMILBNSA-N 1 0 392.499 3.906 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]CCOc1ccccc1C#N ZINC000538809850 870676144 /nfs/dbraw/zinc/67/61/44/870676144.db2.gz KQEBJLHGHFUFSP-UHFFFAOYSA-N 1 0 390.281 3.542 20 30 GHEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 ZINC000248942635 870697349 /nfs/dbraw/zinc/69/73/49/870697349.db2.gz YYGKSUOVKFMBNL-AYOQOUSVSA-N 1 0 381.442 3.751 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1OC ZINC000060355139 882434188 /nfs/dbraw/zinc/43/41/88/882434188.db2.gz HLFSIRILVUSZKM-GOSISDBHSA-N 1 0 384.476 3.728 20 30 GHEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000249096128 870752905 /nfs/dbraw/zinc/75/29/05/870752905.db2.gz OSIRWSYHZRNJLW-UTKZUKDTSA-N 1 0 389.565 3.892 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249094106 870753691 /nfs/dbraw/zinc/75/36/91/870753691.db2.gz FFPSYRFCAUZTGV-MOXGXCLJSA-N 1 0 382.907 3.817 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001192926974 870792301 /nfs/dbraw/zinc/79/23/01/870792301.db2.gz XOIXMQYJVQKDKH-IBGZPJMESA-N 1 0 389.588 3.796 20 30 GHEDRO CC(C)(C#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000538922553 870930472 /nfs/dbraw/zinc/93/04/72/870930472.db2.gz YTCGQSDZSCZHDD-UHFFFAOYSA-N 1 0 376.504 3.540 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC001193167339 870932416 /nfs/dbraw/zinc/93/24/16/870932416.db2.gz QKXCYQULORGSRD-MRXNPFEDSA-N 1 0 380.467 3.722 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000538954107 870968306 /nfs/dbraw/zinc/96/83/06/870968306.db2.gz OZNLIEAAPWCXIB-HNNXBMFYSA-N 1 0 384.307 3.599 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)c1cccc(OC)c1 ZINC000461795467 870973588 /nfs/dbraw/zinc/97/35/88/870973588.db2.gz JZTYNUJJBSGQHC-VGSWGCGISA-N 1 0 379.504 3.870 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000540328934 871030950 /nfs/dbraw/zinc/03/09/50/871030950.db2.gz WMDZZTFLCFWSMJ-QGZVFWFLSA-N 1 0 386.455 3.822 20 30 GHEDRO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000540352382 871047090 /nfs/dbraw/zinc/04/70/90/871047090.db2.gz QYTNJVNEOYGQDF-FQEVSTJZSA-N 1 0 384.907 3.899 20 30 GHEDRO Cc1cccc([C@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)c1 ZINC000181490552 871091632 /nfs/dbraw/zinc/09/16/32/871091632.db2.gz PVMNMLHHFPKFLN-XXBNENTESA-N 1 0 379.504 3.622 20 30 GHEDRO CC(C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1Br ZINC000181521214 871125895 /nfs/dbraw/zinc/12/58/95/871125895.db2.gz LNGKFFAWTUEZJG-HNNXBMFYSA-N 1 0 389.293 3.585 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540390205 871148447 /nfs/dbraw/zinc/14/84/47/871148447.db2.gz XQXWGHFNSVJRFQ-ZWKOTPCHSA-N 1 0 392.503 3.574 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000540404458 871191746 /nfs/dbraw/zinc/19/17/46/871191746.db2.gz NOYKKDNAWUKRIF-YRNRMSPPSA-N 1 0 377.554 3.519 20 30 GHEDRO CCCCOc1ncccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181581210 871203281 /nfs/dbraw/zinc/20/32/81/871203281.db2.gz IYGXJTUHEYAGNS-UHFFFAOYSA-N 1 0 378.520 3.886 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H](CC)Cc1ccc3c(c1)OCO3)CCO2 ZINC001170439949 882490382 /nfs/dbraw/zinc/49/03/82/882490382.db2.gz APUWBMGFHZGULK-SXWKCWPCSA-N 1 0 387.520 3.810 20 30 GHEDRO CCCC[N@H+](CCCO)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000540423957 871249273 /nfs/dbraw/zinc/24/92/73/871249273.db2.gz USXQHOMZEQVXTN-OAHLLOKOSA-N 1 0 377.554 3.700 20 30 GHEDRO C=CCc1ccnc(-n2c(C)c(CC[NH3+])c3cc(OC)ccc32)c1C(OC)OC ZINC001169174820 871298008 /nfs/dbraw/zinc/29/80/08/871298008.db2.gz IIOIYLPXNUAKMY-UHFFFAOYSA-N 1 0 395.503 3.864 20 30 GHEDRO Cn1cc([C@@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C(C)(C)C)cn1 ZINC000540479514 871362756 /nfs/dbraw/zinc/36/27/56/871362756.db2.gz MFGQMEWNPOSKEJ-LJQANCHMSA-N 1 0 399.564 3.938 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)c(Cl)c1 ZINC000766663424 871386513 /nfs/dbraw/zinc/38/65/13/871386513.db2.gz MJTDPQUJZSVGJM-UHFFFAOYSA-N 1 0 378.863 3.788 20 30 GHEDRO CN1CCC(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)([NH+]2CCCCC2)CC1 ZINC000174903616 882506231 /nfs/dbraw/zinc/50/62/31/882506231.db2.gz PWNDOQATUVDBHP-UHFFFAOYSA-N 1 0 397.567 3.560 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670216402 871414002 /nfs/dbraw/zinc/41/40/02/871414002.db2.gz CKCOHROPIWIWIW-SJORKVTESA-N 1 0 387.503 3.664 20 30 GHEDRO CCCCCCCOC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001194019362 871435863 /nfs/dbraw/zinc/43/58/63/871435863.db2.gz JBHABLCBQOCHMB-UHFFFAOYSA-N 1 0 385.549 3.672 20 30 GHEDRO CCCCCCCOC(=O)N1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001193994838 871452260 /nfs/dbraw/zinc/45/22/60/871452260.db2.gz BKDOCWAFADSABV-UHFFFAOYSA-N 1 0 376.545 3.958 20 30 GHEDRO CCOc1cc(N2CC[NH+](Cc3c(C)cc(C#N)cc3C)CC2)ccc1[N+](=O)[O-] ZINC001193997032 871453524 /nfs/dbraw/zinc/45/35/24/871453524.db2.gz DFKQACQMZXHMPG-UHFFFAOYSA-N 1 0 394.475 3.804 20 30 GHEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447392453 871523965 /nfs/dbraw/zinc/52/39/65/871523965.db2.gz BSPBRRHPAQJEDE-HZPDHXFCSA-N 1 0 385.533 3.689 20 30 GHEDRO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000447405250 871544508 /nfs/dbraw/zinc/54/45/08/871544508.db2.gz WZLGQLFIVXAIGV-GOSISDBHSA-N 1 0 399.498 3.646 20 30 GHEDRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000766732536 871568167 /nfs/dbraw/zinc/56/81/67/871568167.db2.gz FJIWHQKGWAAQMK-CYBMUJFWSA-N 1 0 398.406 3.581 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(Br)cc1OCCCO ZINC000463376649 871583985 /nfs/dbraw/zinc/58/39/85/871583985.db2.gz QZHFNESYURHPPU-MRXNPFEDSA-N 1 0 388.305 3.913 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000539332191 871711988 /nfs/dbraw/zinc/71/19/88/871711988.db2.gz PCKDDIJZNKQOGH-DAYGRLMNSA-N 1 0 384.442 3.938 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000539334376 871718648 /nfs/dbraw/zinc/71/86/48/871718648.db2.gz UOKGBJPTLGFRIE-INIZCTEOSA-N 1 0 376.382 3.839 20 30 GHEDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCC2 ZINC001194446983 871727604 /nfs/dbraw/zinc/72/76/04/871727604.db2.gz SYGWCBOPWZNPHS-MSOLQXFVSA-N 1 0 387.549 3.764 20 30 GHEDRO N#CCc1ccccc1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000776970901 882544737 /nfs/dbraw/zinc/54/47/37/882544737.db2.gz PIGYLIOVSGRXPI-UHFFFAOYSA-N 1 0 375.516 3.988 20 30 GHEDRO C#C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(Cl)cc1 ZINC000794060688 882552060 /nfs/dbraw/zinc/55/20/60/882552060.db2.gz RERBRYGCLVVOKR-QFIPXVFZSA-N 1 0 396.918 3.649 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+]([C@H]3CCCN(C(=O)c4ccccc4)C3)C2)c1 ZINC001169784656 871879555 /nfs/dbraw/zinc/87/95/55/871879555.db2.gz NOXJJRGDWDIKGY-GMAHTHKFSA-N 1 0 389.499 3.706 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447585103 871889367 /nfs/dbraw/zinc/88/93/67/871889367.db2.gz IDINKHCTFZACCK-NFBKMPQASA-N 1 0 379.504 3.891 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001194790980 871935436 /nfs/dbraw/zinc/93/54/36/871935436.db2.gz BDKKYAKXTZGXBA-LJQANCHMSA-N 1 0 378.394 3.759 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000463525510 871937044 /nfs/dbraw/zinc/93/70/44/871937044.db2.gz BIANJZIDPFZWMT-UHFFFAOYSA-N 1 0 380.488 3.786 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618754631 871953106 /nfs/dbraw/zinc/95/31/06/871953106.db2.gz XKVYTGOQCSNGDU-NRFANRHFSA-N 1 0 378.476 3.698 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccsc1 ZINC000618797768 872003957 /nfs/dbraw/zinc/00/39/57/872003957.db2.gz UTMNZVRNCZXIOI-WOJBJXKFSA-N 1 0 382.533 3.989 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618812901 872020474 /nfs/dbraw/zinc/02/04/74/872020474.db2.gz IHCZBCCPYXTLCH-HRAATJIYSA-N 1 0 376.504 3.974 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000477861938 872036412 /nfs/dbraw/zinc/03/64/12/872036412.db2.gz QNBXNMDCIFEQTR-RTBURBONSA-N 1 0 389.927 3.866 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000507229230 872062294 /nfs/dbraw/zinc/06/22/94/872062294.db2.gz IKMBLAZVWCGZCG-CVEARBPZSA-N 1 0 391.475 3.557 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618847255 872069656 /nfs/dbraw/zinc/06/96/56/872069656.db2.gz HFTJUKPMGWEJFE-JUXOCIIHSA-N 1 0 380.536 3.842 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618853492 872076893 /nfs/dbraw/zinc/07/68/93/872076893.db2.gz KTTBDXSPIQHTDR-MBSDFSHPSA-N 1 0 388.515 3.852 20 30 GHEDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)C1 ZINC000775633045 872146309 /nfs/dbraw/zinc/14/63/09/872146309.db2.gz OZKJCHUIUTWIBX-BRWVUGGUSA-N 1 0 380.435 3.824 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540862509 872338140 /nfs/dbraw/zinc/33/81/40/872338140.db2.gz FSHCRFUHYXCJLN-MJGOQNOKSA-N 1 0 385.556 3.621 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2C[C@H](C)O)ccc1Cl ZINC000447830967 872361397 /nfs/dbraw/zinc/36/13/97/872361397.db2.gz LVYACRDWHCQNOL-IRXDYDNUSA-N 1 0 377.916 3.521 20 30 GHEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478024731 872367482 /nfs/dbraw/zinc/36/74/82/872367482.db2.gz LJCHMYKBGSAZFS-VXKWHMMOSA-N 1 0 382.529 3.990 20 30 GHEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCS2 ZINC000526966215 872372823 /nfs/dbraw/zinc/37/28/23/872372823.db2.gz LGKDYZLOQJSYJY-UXHICEINSA-N 1 0 393.512 3.889 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccccc1Br)[n+]1cccc(C)c1 ZINC000022804404 872400541 /nfs/dbraw/zinc/40/05/41/872400541.db2.gz FNXIKWCZURJTBO-UHFFFAOYSA-O 1 0 392.342 3.983 20 30 GHEDRO C=CCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H](C)COC ZINC000667288568 872444368 /nfs/dbraw/zinc/44/43/68/872444368.db2.gz OQSPCRVDTHNCTO-KRWDZBQOSA-N 1 0 377.554 3.929 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)c1C#N ZINC000128146288 872505658 /nfs/dbraw/zinc/50/56/58/872505658.db2.gz KOTZVGJRFGZTRE-UHFFFAOYSA-N 1 0 391.500 3.513 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)NC1(C#N)CCC1 ZINC000527053223 872561574 /nfs/dbraw/zinc/56/15/74/872561574.db2.gz ABGUUQUMMZVGHV-RRQGHBQHSA-N 1 0 379.426 3.882 20 30 GHEDRO C=CCSCC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000540969025 872611865 /nfs/dbraw/zinc/61/18/65/872611865.db2.gz XKWJQQCTCCRGBX-GFCCVEGCSA-N 1 0 381.343 3.908 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000022850707 872641005 /nfs/dbraw/zinc/64/10/05/872641005.db2.gz WWGZRQWYEGWYKX-UHFFFAOYSA-N 1 0 395.375 3.962 20 30 GHEDRO N#CC1(NC(=O)C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)CCC1 ZINC000527127854 872677011 /nfs/dbraw/zinc/67/70/11/872677011.db2.gz JBGVCUHDQBZDED-MRXNPFEDSA-N 1 0 394.288 3.581 20 30 GHEDRO N#Cc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1C(F)(F)F ZINC000443436399 872694985 /nfs/dbraw/zinc/69/49/85/872694985.db2.gz MIBNOVHMAWKBSQ-UHFFFAOYSA-N 1 0 378.373 3.823 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC001196058032 872832136 /nfs/dbraw/zinc/83/21/36/872832136.db2.gz VWCXSMOTTKVRSL-HIFRSBDPSA-N 1 0 398.288 3.954 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1cccc(-n2ccnc2)c1 ZINC000478388307 872922852 /nfs/dbraw/zinc/92/28/52/872922852.db2.gz LLLBLGUQPJTLEA-UHFFFAOYSA-N 1 0 398.388 3.742 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877470 872932253 /nfs/dbraw/zinc/93/22/53/872932253.db2.gz PNLHNTMZMCYDMK-ALKREAHSSA-N 1 0 381.442 3.938 20 30 GHEDRO COc1ccc(CCC2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000619739359 872940898 /nfs/dbraw/zinc/94/08/98/872940898.db2.gz NJMXRZRKIMZFSN-WZONZLPQSA-N 1 0 385.552 3.783 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000619762399 872975502 /nfs/dbraw/zinc/97/55/02/872975502.db2.gz VOWCEQLNTWHSAK-OAQYLSRUSA-N 1 0 394.494 3.797 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000619784477 872998184 /nfs/dbraw/zinc/99/81/84/872998184.db2.gz OWRHPMSGRSBJHY-WMZOPIPTSA-N 1 0 382.426 3.547 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001196312745 873005718 /nfs/dbraw/zinc/00/57/18/873005718.db2.gz FNKWHLHQSBDXMX-VQTJNVASSA-N 1 0 376.529 3.709 20 30 GHEDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527350005 873027025 /nfs/dbraw/zinc/02/70/25/873027025.db2.gz HILPYQIXOWPLPG-QVYZHRQISA-N 1 0 390.531 3.753 20 30 GHEDRO COCCOc1ccc(F)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183003873 873096490 /nfs/dbraw/zinc/09/64/90/873096490.db2.gz OKMKFJIXBCAEJT-UHFFFAOYSA-N 1 0 383.467 3.799 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001196727817 873323870 /nfs/dbraw/zinc/32/38/70/873323870.db2.gz LBCYIPRZXKUCGF-INIZCTEOSA-N 1 0 388.943 3.879 20 30 GHEDRO N#CCCCOc1cccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000122812383 882717012 /nfs/dbraw/zinc/71/70/12/882717012.db2.gz ABEUPNDWTRHOIX-UHFFFAOYSA-N 1 0 388.515 3.949 20 30 GHEDRO N#Cc1cccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000448651155 873727807 /nfs/dbraw/zinc/72/78/07/873727807.db2.gz VLINXLPWAGFLST-GOSISDBHSA-N 1 0 398.304 3.888 20 30 GHEDRO CCCCCCCOc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000769126569 873829314 /nfs/dbraw/zinc/82/93/14/873829314.db2.gz ZBXAYDUOMSZBGV-UHFFFAOYSA-N 1 0 396.597 3.892 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCO[C@@H](c3ccc(F)cc3)C1)CCC2 ZINC000023186578 873876744 /nfs/dbraw/zinc/87/67/44/873876744.db2.gz NSRVBWMUJZSNLR-GOSISDBHSA-N 1 0 399.491 3.650 20 30 GHEDRO COC(=O)C[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CCCCC1 ZINC000541600460 873919047 /nfs/dbraw/zinc/91/90/47/873919047.db2.gz IMJBDKKOGOPXMX-NRFANRHFSA-N 1 0 399.535 3.652 20 30 GHEDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=S)Nc3cccc(C#N)c3)CC2)c1 ZINC001197736529 874017024 /nfs/dbraw/zinc/01/70/24/874017024.db2.gz WUCLGROKEUNBTM-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000448825602 874025543 /nfs/dbraw/zinc/02/55/43/874025543.db2.gz UQNLZPHPRSDWSX-CPUCHLNUSA-N 1 0 390.325 3.798 20 30 GHEDRO C=C(C)C[C@H](C)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000464534957 874055702 /nfs/dbraw/zinc/05/57/02/874055702.db2.gz NERKPUVEYOVOJQ-AWEZNQCLSA-N 1 0 380.330 3.742 20 30 GHEDRO CC1([NH+]2CCOCC2)CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000528192035 874227653 /nfs/dbraw/zinc/22/76/53/874227653.db2.gz ZTGPZTKYQCKJFL-UHFFFAOYSA-N 1 0 398.732 3.665 20 30 GHEDRO C#CC[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCCc2ccccc21 ZINC001198104238 874232744 /nfs/dbraw/zinc/23/27/44/874232744.db2.gz NIBKDXBJPRBCNW-FQEVSTJZSA-N 1 0 377.875 3.861 20 30 GHEDRO C[NH+](C)CCN(C(=O)c1cccc(C#N)c1Br)C1CCCCC1 ZINC000448950937 874246131 /nfs/dbraw/zinc/24/61/31/874246131.db2.gz AXAHRUQQLAMIKM-UHFFFAOYSA-N 1 0 378.314 3.657 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 ZINC000464652426 874260929 /nfs/dbraw/zinc/26/09/29/874260929.db2.gz WGHZYLGRTDNVRG-UHFFFAOYSA-N 1 0 388.475 3.623 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001198219271 874278940 /nfs/dbraw/zinc/27/89/40/874278940.db2.gz NYGZELTVSQOQTF-QUCCMNQESA-N 1 0 385.508 3.579 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc(C#N)c1Br)C(C)C ZINC000448975583 874279702 /nfs/dbraw/zinc/27/97/02/874279702.db2.gz PVFMJSUNUDHTJP-QGZVFWFLSA-N 1 0 390.325 3.749 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449013653 874324947 /nfs/dbraw/zinc/32/49/47/874324947.db2.gz LRMSHFJGXYSDTF-UHFFFAOYSA-N 1 0 399.922 3.697 20 30 GHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775880641 874511977 /nfs/dbraw/zinc/51/19/77/874511977.db2.gz KTTYENYHLLXJHA-KRWDZBQOSA-N 1 0 376.504 3.831 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000464814371 874542025 /nfs/dbraw/zinc/54/20/25/874542025.db2.gz LWCPAPJEABNMAH-PMACEKPBSA-N 1 0 379.529 3.795 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000747188394 882854369 /nfs/dbraw/zinc/85/43/69/882854369.db2.gz QOLOWGOPZGNHIB-UHFFFAOYSA-N 1 0 379.504 3.973 20 30 GHEDRO COCCC1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000528575703 874730708 /nfs/dbraw/zinc/73/07/08/874730708.db2.gz BSIVPSGTXHUFQA-OAHLLOKOSA-N 1 0 389.565 3.964 20 30 GHEDRO COCCC1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000528575694 874730844 /nfs/dbraw/zinc/73/08/44/874730844.db2.gz BSIVPSGTXHUFQA-HNNXBMFYSA-N 1 0 389.565 3.964 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000476685357 882869231 /nfs/dbraw/zinc/86/92/31/882869231.db2.gz ZHAPTVZZGVIZTO-GOSISDBHSA-N 1 0 385.533 3.949 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000770805592 874876813 /nfs/dbraw/zinc/87/68/13/874876813.db2.gz LIVLHNYABAJMHS-LJQANCHMSA-N 1 0 392.499 3.854 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000770800827 874877152 /nfs/dbraw/zinc/87/71/52/874877152.db2.gz ASGHFQYJEMXYFN-CYBMUJFWSA-N 1 0 378.444 3.979 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528721559 874959734 /nfs/dbraw/zinc/95/97/34/874959734.db2.gz ZMNYTCZHXOHBRB-UHFFFAOYSA-N 1 0 380.492 3.598 20 30 GHEDRO C[C@H](CCOc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000465029941 874975088 /nfs/dbraw/zinc/97/50/88/874975088.db2.gz LCXJBJPOKBTNGV-LJQANCHMSA-N 1 0 379.504 3.554 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c1C#N ZINC000475727919 882882782 /nfs/dbraw/zinc/88/27/82/882882782.db2.gz QSRCYCSZOVFRKG-BFYDXBDKSA-N 1 0 382.508 3.923 20 30 GHEDRO COC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000271763017 875155267 /nfs/dbraw/zinc/15/52/67/875155267.db2.gz PEJCLDGIQQVYEM-UHFFFAOYSA-N 1 0 375.538 3.718 20 30 GHEDRO N#CC1(NC(=O)c2cccn2Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001199779981 875182486 /nfs/dbraw/zinc/18/24/86/875182486.db2.gz QPNOMALJORYIHH-UHFFFAOYSA-N 1 0 398.510 3.825 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)c2)c1 ZINC000449665221 875211177 /nfs/dbraw/zinc/21/11/77/875211177.db2.gz CGDVSUHKHZNYAE-AZUAARDMSA-N 1 0 390.405 3.882 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000858173101 882907968 /nfs/dbraw/zinc/90/79/68/882907968.db2.gz QVBRSJLLTKTBJW-LQAWEQHXSA-N 1 0 388.277 3.703 20 30 GHEDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449681640 875232471 /nfs/dbraw/zinc/23/24/71/875232471.db2.gz JRYBTTXWPGLYAZ-DMKPSLHHSA-N 1 0 379.342 3.971 20 30 GHEDRO COc1c(C)ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000193039060 875307726 /nfs/dbraw/zinc/30/77/26/875307726.db2.gz KFAWCMYXSDFKNN-UHFFFAOYSA-N 1 0 392.503 3.924 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000449733277 875317019 /nfs/dbraw/zinc/31/70/19/875317019.db2.gz HAPZFQUBXDHWDA-UHFFFAOYSA-N 1 0 392.434 3.549 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000776087051 875320913 /nfs/dbraw/zinc/32/09/13/875320913.db2.gz BYZSKNYSEYIFBN-AZUAARDMSA-N 1 0 377.488 3.731 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000776088675 875322437 /nfs/dbraw/zinc/32/24/37/875322437.db2.gz BBPSMZWKYOYQIP-UHFFFAOYSA-N 1 0 385.895 3.948 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528962713 875350721 /nfs/dbraw/zinc/35/07/21/875350721.db2.gz ICTYLXNPLBVUHO-OAHLLOKOSA-N 1 0 378.423 3.688 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1OC ZINC000449793428 875425149 /nfs/dbraw/zinc/42/51/49/875425149.db2.gz WUWOQOBHOMHSLQ-CQSZACIVSA-N 1 0 384.314 3.617 20 30 GHEDRO CCN(C(=O)Nc1cccc(OCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771757206 875440899 /nfs/dbraw/zinc/44/08/99/875440899.db2.gz NNYCCZWHYVILIU-FQEVSTJZSA-N 1 0 378.476 3.717 20 30 GHEDRO CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771769437 875475031 /nfs/dbraw/zinc/47/50/31/875475031.db2.gz QVZLIUOKNYEIJZ-PZJWPPBQSA-N 1 0 380.621 3.793 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2-c2ccccc2C(=O)OC)CC1 ZINC000192533240 882942016 /nfs/dbraw/zinc/94/20/16/882942016.db2.gz SJGBFZDTNWFZJK-UHFFFAOYSA-N 1 0 392.499 3.911 20 30 GHEDRO C[NH+](C)Cc1cccc(Nc2ccc(C#N)cc2I)c1 ZINC001201399781 875657953 /nfs/dbraw/zinc/65/79/53/875657953.db2.gz LYKHDHFWJSASQR-UHFFFAOYSA-N 1 0 377.229 3.968 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001201852789 875887872 /nfs/dbraw/zinc/88/78/72/875887872.db2.gz LOEYUXSWHBUJQC-NJDAHSKKSA-N 1 0 382.589 3.854 20 30 GHEDRO CCCCCCCC[N@@H+]1CC[C@H]2C(=O)N(Cc3csc(C)n3)CCO[C@H]2C1 ZINC001201825966 875892358 /nfs/dbraw/zinc/89/23/58/875892358.db2.gz JQKMXYZIDIZSHG-UXHICEINSA-N 1 0 393.597 3.861 20 30 GHEDRO CCCCCCCCC[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001201845905 875900656 /nfs/dbraw/zinc/90/06/56/875900656.db2.gz AGZUOMWBFXZVRS-IRLDBZIGSA-N 1 0 380.573 3.609 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001201875130 875918720 /nfs/dbraw/zinc/91/87/20/875918720.db2.gz QGEXWGQYLVXXGT-QFIPXVFZSA-N 1 0 379.589 3.530 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000195539113 883000966 /nfs/dbraw/zinc/00/09/66/883000966.db2.gz QZLPDRNUIQUZNX-HUUCEWRRSA-N 1 0 385.439 3.669 20 30 GHEDRO N#Cc1ccc(-c2nnc(COC(=O)c3cccc(C[NH+]4CCCC4)c3)o2)cc1 ZINC000785714844 876221232 /nfs/dbraw/zinc/22/12/32/876221232.db2.gz ONSGDEZMJLMGHE-UHFFFAOYSA-N 1 0 388.427 3.561 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000173652356 876549916 /nfs/dbraw/zinc/54/99/16/876549916.db2.gz TUDXQGBMMYEUEY-SFHVURJKSA-N 1 0 381.442 3.573 20 30 GHEDRO N#CCCn1ncc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1-c1ccccc1 ZINC000529717313 876578651 /nfs/dbraw/zinc/57/86/51/876578651.db2.gz FPTWIBUJGIIUOL-HXUWFJFHSA-N 1 0 391.519 3.601 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(COC)c(C#N)c2)cc1 ZINC000529815176 876674749 /nfs/dbraw/zinc/67/47/49/876674749.db2.gz DEUHMCAHPCLEKM-UHFFFAOYSA-N 1 0 381.476 3.678 20 30 GHEDRO COC(=O)CCc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000786580258 876768908 /nfs/dbraw/zinc/76/89/08/876768908.db2.gz ZWHLYJJCOZAYQP-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccc([N+](=O)[O-])c(C#N)c3)CC2)cc1 ZINC000450789122 876891582 /nfs/dbraw/zinc/89/15/82/876891582.db2.gz WBAVCIOEIPOJBL-UHFFFAOYSA-N 1 0 393.447 3.501 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786856639 876985563 /nfs/dbraw/zinc/98/55/63/876985563.db2.gz UJQOTSIUAGPBRN-OXJNMPFZSA-N 1 0 378.476 3.748 20 30 GHEDRO C[C@@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)cc1F ZINC000850541902 877010092 /nfs/dbraw/zinc/01/00/92/877010092.db2.gz DNBCZBYSEKWOIP-GDBMZVCRSA-N 1 0 389.471 3.516 20 30 GHEDRO Cc1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)ccc1C#N ZINC000443968243 877190362 /nfs/dbraw/zinc/19/03/62/877190362.db2.gz NQHKXRJMBRFSBM-UHFFFAOYSA-N 1 0 386.293 3.539 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000450999330 877205457 /nfs/dbraw/zinc/20/54/57/877205457.db2.gz CAJAVWJLZBFLOO-MJGOQNOKSA-N 1 0 380.467 3.735 20 30 GHEDRO Fc1ccc(CON=C2CCOC[C@H]2C[NH+]2CCCCC2)c(Br)c1 ZINC000787161772 877207767 /nfs/dbraw/zinc/20/77/67/877207767.db2.gz GBIZJKRRIKLYDS-OAHLLOKOSA-N 1 0 399.304 3.983 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)c2ccccc21 ZINC000174844296 877284725 /nfs/dbraw/zinc/28/47/25/877284725.db2.gz PAYRKPXTFRFMKS-IBGZPJMESA-N 1 0 378.520 3.688 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)C2(C[NH+](C)C)CCCCC2)ccc1OC ZINC000787358856 877373207 /nfs/dbraw/zinc/37/32/07/877373207.db2.gz MIUZRIWBNFZLKY-GOSISDBHSA-N 1 0 387.524 3.504 20 30 GHEDRO C[C@@H]([C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1)[NH+]1CCCC1 ZINC000851132270 877435703 /nfs/dbraw/zinc/43/57/03/877435703.db2.gz CZLHNJYHWAJCPB-MBSDFSHPSA-N 1 0 378.472 3.900 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000175707964 877479927 /nfs/dbraw/zinc/47/99/27/877479927.db2.gz FURIUCYVNJTQFI-KBPBESRZSA-N 1 0 383.414 3.967 20 30 GHEDRO C=CC(C)(C)C(=O)OC[C@@H](C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000851519917 877761037 /nfs/dbraw/zinc/76/10/37/877761037.db2.gz PBKWOQIFFNOHLY-FUMNGEBKSA-N 1 0 385.504 3.694 20 30 GHEDRO C=CCSCC(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001273479060 912273391 /nfs/dbraw/zinc/27/33/91/912273391.db2.gz YROVAYSRTXZOSJ-LJQANCHMSA-N 1 0 379.595 3.575 20 30 GHEDRO N#C[C@H](CC(=O)N1CCCc2ccc(C[NH3+])nc21)c1c(Cl)cccc1Cl ZINC001183128884 912274843 /nfs/dbraw/zinc/27/48/43/912274843.db2.gz YVGKTIBCKGGZMV-ZDUSSCGKSA-N 1 0 389.286 3.824 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000565919821 877796076 /nfs/dbraw/zinc/79/60/76/877796076.db2.gz KOFCDIHIOSHWSM-IRFCIJBXSA-N 1 0 395.551 3.662 20 30 GHEDRO COCCCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000285402694 912277666 /nfs/dbraw/zinc/27/76/66/912277666.db2.gz CQPXEFJCXGCKRC-UHFFFAOYSA-N 1 0 390.487 3.664 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@](F)(C#N)C2)cc1 ZINC000615531769 877821895 /nfs/dbraw/zinc/82/18/95/877821895.db2.gz PPNNBEIJBNXYBC-QFIPXVFZSA-N 1 0 380.467 3.562 20 30 GHEDRO [NH3+][C@@H]1CN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1F ZINC000851648517 877852811 /nfs/dbraw/zinc/85/28/11/877852811.db2.gz JDBLRMDPDJAHDE-IKGCNYHESA-N 1 0 384.295 3.635 20 30 GHEDRO CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000788181405 877876066 /nfs/dbraw/zinc/87/60/66/877876066.db2.gz YFJKWXDBHQUYEL-OAQYLSRUSA-N 1 0 375.472 3.806 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245454448 877906477 /nfs/dbraw/zinc/90/64/77/877906477.db2.gz RZPNZEGLEAMGFD-IFMALSPDSA-N 1 0 391.515 3.860 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615615751 877922646 /nfs/dbraw/zinc/92/26/46/877922646.db2.gz CQTBKXPNNKNWJV-LJQANCHMSA-N 1 0 382.426 3.828 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000788260325 877965553 /nfs/dbraw/zinc/96/55/53/877965553.db2.gz YZRRVFYROYHPAA-OXQOHEQNSA-N 1 0 380.492 3.567 20 30 GHEDRO C#CCC1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCCC1 ZINC000788234802 877969679 /nfs/dbraw/zinc/96/96/79/877969679.db2.gz BOONQFHJVQQQEL-UHFFFAOYSA-N 1 0 393.575 3.809 20 30 GHEDRO Cc1cccc([C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)N2CCOCC2)c1 ZINC000237794316 878037319 /nfs/dbraw/zinc/03/73/19/878037319.db2.gz DHUMQZFMPIRENL-DEOSSOPVSA-N 1 0 393.531 3.841 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)C[C@H]1OCc1ccccc1 ZINC000451500346 878052012 /nfs/dbraw/zinc/05/20/12/878052012.db2.gz OTRWYAMXMNLVLG-QZTJIDSGSA-N 1 0 383.517 3.922 20 30 GHEDRO C[N@@H+]1CC[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 ZINC000551951377 878054343 /nfs/dbraw/zinc/05/43/43/878054343.db2.gz YSNRZKWGWUAJAP-ZDUSSCGKSA-N 1 0 394.422 3.515 20 30 GHEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000852102225 878075910 /nfs/dbraw/zinc/07/59/10/878075910.db2.gz WVXYWELUFGOEOP-HSZRJFAPSA-N 1 0 393.487 3.668 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000852101595 878076259 /nfs/dbraw/zinc/07/62/59/878076259.db2.gz SFLSJAFEVMFBQC-HJPURHCSSA-N 1 0 393.487 3.666 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000530589831 878130454 /nfs/dbraw/zinc/13/04/54/878130454.db2.gz XMBRASJMQDLINR-IBGZPJMESA-N 1 0 387.936 3.864 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC000852297387 878207802 /nfs/dbraw/zinc/20/78/02/878207802.db2.gz YWSXBYZSRSEPBN-IBGZPJMESA-N 1 0 384.524 3.812 20 30 GHEDRO N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000530668374 878263796 /nfs/dbraw/zinc/26/37/96/878263796.db2.gz UJMOEANBKUCUEJ-UHFFFAOYSA-N 1 0 390.487 3.554 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000451676062 878294381 /nfs/dbraw/zinc/29/43/81/878294381.db2.gz RQJKQAZCVBERKJ-JLLPCOHGSA-N 1 0 381.516 3.785 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000237913859 878318552 /nfs/dbraw/zinc/31/85/52/878318552.db2.gz AEXQJDTVKZRROL-QHCPKHFHSA-N 1 0 397.494 3.671 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)c3ccc(C(F)(F)F)cc3)CCOCC2)c1 ZINC000852562182 878425890 /nfs/dbraw/zinc/42/58/90/878425890.db2.gz CGNNROXLYCSJQF-LJQANCHMSA-N 1 0 390.405 3.906 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852597691 878451366 /nfs/dbraw/zinc/45/13/66/878451366.db2.gz SRXZBIMSPCKCNQ-CDXJDZJCSA-N 1 0 390.487 3.505 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000852728671 878554391 /nfs/dbraw/zinc/55/43/91/878554391.db2.gz FTROCGSJHCOSFB-VHKYSDTDSA-N 1 0 385.895 3.886 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc2c(c1)CCCO2 ZINC000852780964 878594150 /nfs/dbraw/zinc/59/41/50/878594150.db2.gz MYHGSWXHIIWQAA-HNAYVOBHSA-N 1 0 398.466 3.899 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000852823578 878622624 /nfs/dbraw/zinc/62/26/24/878622624.db2.gz HSVXBJMDPRRCHF-UHFFFAOYSA-N 1 0 378.438 3.636 20 30 GHEDRO Cc1sc([C@@H](C)NC(=O)C#CC2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000852849452 878633499 /nfs/dbraw/zinc/63/34/99/878633499.db2.gz FYWGAYCJEFPAAR-CYBMUJFWSA-N 1 0 387.936 3.952 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000852889248 878648271 /nfs/dbraw/zinc/64/82/71/878648271.db2.gz GMZRINGKBHCIBH-UHFFFAOYSA-N 1 0 384.829 3.510 20 30 GHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1)CC(C)C ZINC000538013995 878714740 /nfs/dbraw/zinc/71/47/40/878714740.db2.gz MSSMHVBCPXYYLW-UHFFFAOYSA-N 1 0 391.581 3.635 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609161214 878743293 /nfs/dbraw/zinc/74/32/93/878743293.db2.gz MPFGEKHPZSTWEV-UHFFFAOYSA-N 1 0 387.487 3.559 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1Oc2ccccc2[C@@H]1C ZINC000530972849 878853249 /nfs/dbraw/zinc/85/32/49/878853249.db2.gz VZOVODFYHFWWEN-PSUSHLJKSA-N 1 0 395.528 3.978 20 30 GHEDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000789368307 878908138 /nfs/dbraw/zinc/90/81/38/878908138.db2.gz ZNORSMVYDPYENS-INIZCTEOSA-N 1 0 392.459 3.536 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000177915624 878915568 /nfs/dbraw/zinc/91/55/68/878915568.db2.gz BJFAHYVKOXULNK-MRXNPFEDSA-N 1 0 388.581 3.561 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(c3cc(Br)cnc3C#N)C2)CC1 ZINC000853243545 878928550 /nfs/dbraw/zinc/92/85/50/878928550.db2.gz LUEJHGTTWGYRIH-OAHLLOKOSA-N 1 0 377.330 3.664 20 30 GHEDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000452082349 878940655 /nfs/dbraw/zinc/94/06/55/878940655.db2.gz KVNRQTURJGRPLW-MRXNPFEDSA-N 1 0 389.565 3.966 20 30 GHEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCC[C@H](CC#N)C2)c1=S ZINC000853525462 879085791 /nfs/dbraw/zinc/08/57/91/879085791.db2.gz FQLJYGRXWLNTPB-SJORKVTESA-N 1 0 378.590 3.810 20 30 GHEDRO C#CCN1CC[C@]2(CCCN2Cc2cc3cccc(Cl)c3nc2Cl)C1=O ZINC001275152639 912429732 /nfs/dbraw/zinc/42/97/32/912429732.db2.gz MYWBGNTZXUXPIO-HXUWFJFHSA-N 1 0 388.298 3.742 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000180717164 879240524 /nfs/dbraw/zinc/24/05/24/879240524.db2.gz LUKGRNHAHHUEGI-GOSISDBHSA-N 1 0 377.916 3.893 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cn(C)nc2-c2ccccc2)c1 ZINC000180792815 879322931 /nfs/dbraw/zinc/32/29/31/879322931.db2.gz PSQLTCQLFBHRKW-UHFFFAOYSA-N 1 0 393.491 3.811 20 30 GHEDRO C#CC[C@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccccc1 ZINC000853911982 879367600 /nfs/dbraw/zinc/36/76/00/879367600.db2.gz WRFGGSYRVAFIED-PKTZIBPZSA-N 1 0 375.516 3.709 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246330524 879403081 /nfs/dbraw/zinc/40/30/81/879403081.db2.gz HZXDRGNRRGGUPO-VSKRKVRLSA-N 1 0 396.579 3.908 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC1 ZINC000531318361 879555339 /nfs/dbraw/zinc/55/53/39/879555339.db2.gz JEQMLOBBBNBRHD-UHFFFAOYSA-N 1 0 399.470 3.915 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000152676319 879563735 /nfs/dbraw/zinc/56/37/35/879563735.db2.gz FUERJWFHTDDGMW-UTKZUKDTSA-N 1 0 380.488 3.881 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)cc1OCCCC#N ZINC000181090349 879686430 /nfs/dbraw/zinc/68/64/30/879686430.db2.gz HYGGMKWNBPOMER-OZWAEMERSA-N 1 0 388.508 3.789 20 30 GHEDRO CCS[C@H]1CCCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000112089047 879694612 /nfs/dbraw/zinc/69/46/12/879694612.db2.gz HWUPYXGDWSLTCW-DLBZAZTESA-N 1 0 380.517 3.831 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cc1cccc(C#N)c1 ZINC000531384449 879752120 /nfs/dbraw/zinc/75/21/20/879752120.db2.gz IWXTVMKEJDCBSE-QFIPXVFZSA-N 1 0 375.516 3.690 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790535796 879802877 /nfs/dbraw/zinc/80/28/77/879802877.db2.gz TVPSTZFFHYDQJP-FCEWJHQRSA-N 1 0 378.438 3.921 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246794328 879804821 /nfs/dbraw/zinc/80/48/21/879804821.db2.gz RJSIOXFRHLGAGB-TZIWHRDSSA-N 1 0 376.504 3.898 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@H](C)[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000493982447 879814756 /nfs/dbraw/zinc/81/47/56/879814756.db2.gz ALTWMDSGACQFHU-SJORKVTESA-N 1 0 396.487 3.539 20 30 GHEDRO N#Cc1cccc(C2(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)CC2)c1 ZINC000461440352 879816627 /nfs/dbraw/zinc/81/66/27/879816627.db2.gz XURRIAXOMGCUKP-FGZHOGPDSA-N 1 0 385.511 3.570 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)c1 ZINC000538619349 879827304 /nfs/dbraw/zinc/82/73/04/879827304.db2.gz QWWFKRNSQJURHT-UHFFFAOYSA-N 1 0 379.435 3.621 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCCN1C(=O)OC(C)(C)C ZINC000790571976 879829566 /nfs/dbraw/zinc/82/95/66/879829566.db2.gz LNQOUHZDSUKAST-NRFANRHFSA-N 1 0 397.479 3.552 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2ccccc2CC#N)c2cccs2)CC1 ZINC000776744678 879854808 /nfs/dbraw/zinc/85/48/08/879854808.db2.gz ZXDFRAHWOXOFNW-FQEVSTJZSA-N 1 0 381.545 3.946 20 30 GHEDRO C=CC[C@@]1(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)CCCN1C(=O)OC(C)(C)C ZINC000790683850 879954763 /nfs/dbraw/zinc/95/47/63/879954763.db2.gz RSRHBTOWERNVGI-GCJKJVERSA-N 1 0 393.572 3.523 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000854739857 880031295 /nfs/dbraw/zinc/03/12/95/880031295.db2.gz YEVXSMAOFYMUNN-QHCPKHFHSA-N 1 0 376.504 3.524 20 30 GHEDRO C=CCOc1c(Cl)cc(CNCC2([NH+]3CCCC3)CCOCC2)cc1OC ZINC000623406359 880190323 /nfs/dbraw/zinc/19/03/23/880190323.db2.gz VGBCNCYPKVLPBU-UHFFFAOYSA-N 1 0 394.943 3.648 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)n2)cc1 ZINC000795700964 912548342 /nfs/dbraw/zinc/54/83/42/912548342.db2.gz UAOYVJMSYNBRMD-CQOQZXRMSA-N 1 0 384.483 3.884 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)ccc1OC ZINC000113211556 880408219 /nfs/dbraw/zinc/40/82/19/880408219.db2.gz PFEZSMZOLQXPDZ-SIKLNZKXSA-N 1 0 395.503 3.685 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OC ZINC000113366458 880547789 /nfs/dbraw/zinc/54/77/89/880547789.db2.gz RDIXGWBZWOUVCI-LJQANCHMSA-N 1 0 396.491 3.759 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccccc1CC#N ZINC000776821300 880603173 /nfs/dbraw/zinc/60/31/73/880603173.db2.gz WTLMBJGLNPLMOR-IBGZPJMESA-N 1 0 375.516 3.986 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)C1 ZINC000776825336 880667724 /nfs/dbraw/zinc/66/77/24/880667724.db2.gz GSVKPOLAYODCLE-HUUCEWRRSA-N 1 0 379.888 3.589 20 30 GHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000429524214 880824785 /nfs/dbraw/zinc/82/47/85/880824785.db2.gz ZIMDIIRNVFRUAK-PMACEKPBSA-N 1 0 398.482 3.591 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000453447445 880915389 /nfs/dbraw/zinc/91/53/89/880915389.db2.gz XJLGIIZIGPAURH-FQEVSTJZSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453424196 880923092 /nfs/dbraw/zinc/92/30/92/880923092.db2.gz HVADYEIJHCIJBJ-UHFFFAOYSA-N 1 0 383.418 3.577 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000453424920 880926180 /nfs/dbraw/zinc/92/61/80/880926180.db2.gz LDHTXWMGHKOPOJ-LJQANCHMSA-N 1 0 395.551 3.662 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453426677 880926355 /nfs/dbraw/zinc/92/63/55/880926355.db2.gz SUNGGAFTADFGCA-UHFFFAOYSA-N 1 0 389.931 3.714 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453464733 880967431 /nfs/dbraw/zinc/96/74/31/880967431.db2.gz LFTLBXYEFZPPNY-SVFBPWRDSA-N 1 0 395.551 3.805 20 30 GHEDRO C=C(C)Cn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1[C@]1(C)CCCO1 ZINC000453472508 880986972 /nfs/dbraw/zinc/98/69/72/880986972.db2.gz XVFREUZTHMZHJF-OFNKIYASSA-N 1 0 395.551 3.591 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000113971949 881018932 /nfs/dbraw/zinc/01/89/32/881018932.db2.gz JAJWIMXRAGEFPJ-HKUYNNGSSA-N 1 0 386.540 3.677 20 30 GHEDRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)c(C#N)c2)cn1 ZINC000792375864 881061618 /nfs/dbraw/zinc/06/16/18/881061618.db2.gz DVHDKABLLZXWJC-QFIPXVFZSA-N 1 0 378.451 3.650 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1O ZINC000774648890 912641166 /nfs/dbraw/zinc/64/11/66/912641166.db2.gz SWTSLIUHEMSTCK-UHFFFAOYSA-N 1 0 396.535 3.827 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCOCC1 ZINC000858492587 883144184 /nfs/dbraw/zinc/14/41/84/883144184.db2.gz ASDSZMARTJMDCT-FQEVSTJZSA-N 1 0 399.535 3.989 20 30 GHEDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(OCC#N)cc3)CC2)cc1 ZINC000181667573 883170971 /nfs/dbraw/zinc/17/09/71/883170971.db2.gz TWITWAGXKFUWPV-SFHVURJKSA-N 1 0 377.488 3.853 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H](C)C1 ZINC000476823720 883223047 /nfs/dbraw/zinc/22/30/47/883223047.db2.gz HAKZTCAVALESHZ-AVRDEDQJSA-N 1 0 376.504 3.675 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1 ZINC000609526188 883315871 /nfs/dbraw/zinc/31/58/71/883315871.db2.gz FSRSMKWGUVBIIR-QHCPKHFHSA-N 1 0 390.531 3.684 20 30 GHEDRO CC(C)(C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000858837984 883391391 /nfs/dbraw/zinc/39/13/91/883391391.db2.gz XDBPJWTVNJYJGM-OAQYLSRUSA-N 1 0 375.516 3.864 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000609600420 883401038 /nfs/dbraw/zinc/40/10/38/883401038.db2.gz BNMCFNDCGPTRED-UHFFFAOYSA-N 1 0 391.431 3.541 20 30 GHEDRO Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(C[NH+](C)C)c1 ZINC000609610700 883422968 /nfs/dbraw/zinc/42/29/68/883422968.db2.gz QAZJNWOJIXWREQ-UHFFFAOYSA-N 1 0 392.503 3.722 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000804903962 883468595 /nfs/dbraw/zinc/46/85/95/883468595.db2.gz RVJYMQJSLRLDQB-DLBZAZTESA-N 1 0 379.888 3.817 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC001183670842 912717888 /nfs/dbraw/zinc/71/78/88/912717888.db2.gz CXQJRRIMPAIFPB-UHFFFAOYSA-N 1 0 393.491 3.622 20 30 GHEDRO C[C@H]1CCC[C@@H](CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609680084 883538023 /nfs/dbraw/zinc/53/80/23/883538023.db2.gz QXKFSBZJCXHCMO-PMACEKPBSA-N 1 0 382.552 3.992 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000609710023 883567197 /nfs/dbraw/zinc/56/71/97/883567197.db2.gz JFHVDKFPZJUBGR-INIZCTEOSA-N 1 0 380.467 3.722 20 30 GHEDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000551310317 883666581 /nfs/dbraw/zinc/66/65/81/883666581.db2.gz AREMVQABDGHBNP-CYBMUJFWSA-N 1 0 380.872 3.865 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859215857 883670358 /nfs/dbraw/zinc/67/03/58/883670358.db2.gz SYYJJGBXLYUCOX-UHFFFAOYSA-N 1 0 392.547 3.744 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)Cc1ccccc1 ZINC000465431138 883692186 /nfs/dbraw/zinc/69/21/86/883692186.db2.gz SGVLERVDIMNPFK-ZRBLBEILSA-N 1 0 390.531 3.641 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1OCCCC#N ZINC000064614534 883753576 /nfs/dbraw/zinc/75/35/76/883753576.db2.gz SBEFSEFXFBDYAR-UHFFFAOYSA-N 1 0 387.524 3.504 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000918586138 884012188 /nfs/dbraw/zinc/01/21/88/884012188.db2.gz ZCEQQUYCJLVAGR-SFHVURJKSA-N 1 0 379.504 3.971 20 30 GHEDRO C=CCCC1(C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000476141019 884085809 /nfs/dbraw/zinc/08/58/09/884085809.db2.gz ISLVCMPZTXWBMT-UHFFFAOYSA-N 1 0 395.469 3.820 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000897616059 884139092 /nfs/dbraw/zinc/13/90/92/884139092.db2.gz HWKSLDCIXHNXHS-INIZCTEOSA-N 1 0 389.425 3.835 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000918686305 884150444 /nfs/dbraw/zinc/15/04/44/884150444.db2.gz JQQNUHACNWWPIP-JOCHJYFZSA-N 1 0 379.504 3.870 20 30 GHEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C[NH+]1CCCCC1 ZINC000476163672 884179711 /nfs/dbraw/zinc/17/97/11/884179711.db2.gz RTLYWWGLZFFKSZ-PELRDEGISA-N 1 0 398.551 3.669 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000897423307 884266161 /nfs/dbraw/zinc/26/61/61/884266161.db2.gz XKKAOLNLCLTIHK-UHFFFAOYSA-N 1 0 395.507 3.611 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860038886 884281209 /nfs/dbraw/zinc/28/12/09/884281209.db2.gz XTGAZVRTOMAORN-RNQOJCNYSA-N 1 0 397.519 3.644 20 30 GHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000476227760 884281622 /nfs/dbraw/zinc/28/16/22/884281622.db2.gz VESHLZDTXFRWOX-KRWDZBQOSA-N 1 0 381.476 3.725 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000860170501 884392839 /nfs/dbraw/zinc/39/28/39/884392839.db2.gz ONWYQJIBZNJPDY-SFHVURJKSA-N 1 0 379.545 3.664 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643723350 912822094 /nfs/dbraw/zinc/82/20/94/912822094.db2.gz JDTCUCCESNGXAD-MOPGFXCFSA-N 1 0 383.565 3.743 20 30 GHEDRO C=CCOc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000806155091 884412802 /nfs/dbraw/zinc/41/28/02/884412802.db2.gz MUDUHDOTQABEPS-UHFFFAOYSA-N 1 0 394.519 3.715 20 30 GHEDRO C#CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccc(F)cc2)CC1 ZINC001183794522 912823946 /nfs/dbraw/zinc/82/39/46/912823946.db2.gz FVCUJFDZIDZACN-RPWUZVMVSA-N 1 0 390.502 3.913 20 30 GHEDRO N#C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccc(F)cc2)C1 ZINC001183794951 912825335 /nfs/dbraw/zinc/82/53/35/912825335.db2.gz OQWNSDBOUBXPKW-PMOQBDJRSA-N 1 0 391.490 3.803 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1F ZINC000806212335 884456453 /nfs/dbraw/zinc/45/64/53/884456453.db2.gz XWYZVBVYDFRIEO-LJQANCHMSA-N 1 0 389.858 3.916 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccs1 ZINC000102802802 884467362 /nfs/dbraw/zinc/46/73/62/884467362.db2.gz MDDSTFFYDKXTJI-CYBMUJFWSA-N 1 0 380.420 3.646 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)c1C#N ZINC000102926320 884634403 /nfs/dbraw/zinc/63/44/03/884634403.db2.gz LZPJJKCOFGZGMD-HXUWFJFHSA-N 1 0 380.492 3.821 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H]1C ZINC000498551626 884810167 /nfs/dbraw/zinc/81/01/67/884810167.db2.gz XWQQERWRHPPINN-MSOLQXFVSA-N 1 0 377.488 3.692 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806619919 884863614 /nfs/dbraw/zinc/86/36/14/884863614.db2.gz KMLKRJCLJPUVTG-QHCPKHFHSA-N 1 0 375.516 3.744 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC000130640838 884866020 /nfs/dbraw/zinc/86/60/20/884866020.db2.gz KFVODTPGJRIRIP-UHFFFAOYSA-N 1 0 390.447 3.753 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000615229129 884870565 /nfs/dbraw/zinc/87/05/65/884870565.db2.gz MXXSGWYHVKRGSW-YVEFUNNKSA-N 1 0 393.256 3.550 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001183887495 912873342 /nfs/dbraw/zinc/87/33/42/912873342.db2.gz KLLAHCJJIIDCKV-UHFFFAOYSA-N 1 0 399.429 3.900 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000106034275 884934136 /nfs/dbraw/zinc/93/41/36/884934136.db2.gz BIYRPKSIBMOLPP-UHFFFAOYSA-N 1 0 389.499 3.908 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000806808340 885009065 /nfs/dbraw/zinc/00/90/65/885009065.db2.gz AMGFHCKDGRGQHM-FPOVZHCZSA-N 1 0 398.482 3.609 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Nc3ccccc3)C2)sc2c1CCC2 ZINC000103480960 885011674 /nfs/dbraw/zinc/01/16/74/885011674.db2.gz KUDFCOGSDMVDOL-INIZCTEOSA-N 1 0 380.517 3.623 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000171637257 885209277 /nfs/dbraw/zinc/20/92/77/885209277.db2.gz MLNUQNXFMZWIHY-UHFFFAOYSA-N 1 0 378.476 3.711 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)ccc21 ZINC000455876895 885236193 /nfs/dbraw/zinc/23/61/93/885236193.db2.gz BPBFRKFOBZNZSU-FCHUYYIVSA-N 1 0 390.487 3.713 20 30 GHEDRO C=CCc1ccc(OCC(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)c(OC)c1 ZINC001130841875 885238086 /nfs/dbraw/zinc/23/80/86/885238086.db2.gz CFNBOXYLQKFIQR-HXUWFJFHSA-N 1 0 394.515 3.712 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC[C@@H]21 ZINC000610815158 885301447 /nfs/dbraw/zinc/30/14/47/885301447.db2.gz KOCBSZQSAKSUOD-XLIONFOSSA-N 1 0 391.475 3.694 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000556559310 885443324 /nfs/dbraw/zinc/44/33/24/885443324.db2.gz MUIWDABDMQOZMM-CZUORRHYSA-N 1 0 382.430 3.602 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000556559305 885443827 /nfs/dbraw/zinc/44/38/27/885443827.db2.gz MUIWDABDMQOZMM-BBRMVZONSA-N 1 0 382.430 3.602 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C=C/c2cc3ccccc3nc2OCCC)CC1 ZINC000747405202 885542395 /nfs/dbraw/zinc/54/23/95/885542395.db2.gz WZBGXUUBJWGAOP-ZHACJKMWSA-N 1 0 391.515 3.641 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)C(C)(C)c3ccc(C#N)cc3)cc2)CC1 ZINC000861594559 885675859 /nfs/dbraw/zinc/67/58/59/885675859.db2.gz LRDSIYRWLRWSMR-UHFFFAOYSA-N 1 0 391.515 3.625 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000495454655 885815701 /nfs/dbraw/zinc/81/57/01/885815701.db2.gz KPCSMZHBKJFAJF-KDURUIRLSA-N 1 0 375.561 3.815 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000556692651 885884880 /nfs/dbraw/zinc/88/48/80/885884880.db2.gz LCRASDSXHNDIOV-RTBURBONSA-N 1 0 375.497 3.909 20 30 GHEDRO CC[N@H+](CCc1cccs1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000532513493 885907125 /nfs/dbraw/zinc/90/71/25/885907125.db2.gz MRTBGAXYOXXZPR-UHFFFAOYSA-N 1 0 394.462 3.799 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487926044 886072711 /nfs/dbraw/zinc/07/27/11/886072711.db2.gz XNVQOAGIUDXVKV-UHFFFAOYSA-N 1 0 379.302 3.660 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1Cl ZINC000532577438 886160168 /nfs/dbraw/zinc/16/01/68/886160168.db2.gz DRMGPRFPDZMFJQ-AWEZNQCLSA-N 1 0 389.805 3.584 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1OC ZINC000919699222 886162611 /nfs/dbraw/zinc/16/26/11/886162611.db2.gz LMOHOMQAXGPRHX-CSKARUKUSA-N 1 0 386.536 3.852 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C[C@H]1[NH+](C)C ZINC000495633647 886289601 /nfs/dbraw/zinc/28/96/01/886289601.db2.gz AREMYLPYWGNMQR-CTNGQTDRSA-N 1 0 395.528 3.777 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(Cn3cccn3)c2)c(-c2ccccc2)n1 ZINC000113325887 886291604 /nfs/dbraw/zinc/29/16/04/886291604.db2.gz XJOAFDZUMXPJQK-UHFFFAOYSA-N 1 0 396.498 3.998 20 30 GHEDRO N#CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000919805513 886383226 /nfs/dbraw/zinc/38/32/26/886383226.db2.gz WSJZWLYHTWQRGT-IBGZPJMESA-N 1 0 383.879 3.809 20 30 GHEDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)Cc1cc3ccn(C(C)=O)c3c(C#N)c1)C2 ZINC001168243018 886536365 /nfs/dbraw/zinc/53/63/65/886536365.db2.gz GQPJCMFLFUGJGI-OYHNWAKOSA-N 1 0 387.483 3.870 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000153600372 886606321 /nfs/dbraw/zinc/60/63/21/886606321.db2.gz OBGYUVPIDIZDTB-UHFFFAOYSA-N 1 0 383.565 3.561 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1Br ZINC000487970514 886624639 /nfs/dbraw/zinc/62/46/39/886624639.db2.gz SPDHUEBIFAYTOP-UHFFFAOYSA-N 1 0 391.313 3.803 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000808789075 886782511 /nfs/dbraw/zinc/78/25/11/886782511.db2.gz FDSSPPDHVLFFBK-BJKOFHAPSA-N 1 0 385.467 3.951 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000454216999 886942543 /nfs/dbraw/zinc/94/25/43/886942543.db2.gz JEBYOASPQNMVDB-NRFANRHFSA-N 1 0 398.482 3.588 20 30 GHEDRO C[C@H](Nc1ccc(C#Cc2ccc(Br)cc2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001170567103 886993464 /nfs/dbraw/zinc/99/34/64/886993464.db2.gz JAEQAQYJKXPHHP-YWZLYKJASA-N 1 0 385.305 3.638 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c(OC)c1 ZINC000863301518 887014890 /nfs/dbraw/zinc/01/48/90/887014890.db2.gz DZHIKUYNDDXLQI-CRAIPNDOSA-N 1 0 375.509 3.929 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000171725430 887082247 /nfs/dbraw/zinc/08/22/47/887082247.db2.gz RQUNWKMGTAWQNK-CQSZACIVSA-N 1 0 385.430 3.638 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC000487997911 887269273 /nfs/dbraw/zinc/26/92/73/887269273.db2.gz XAIDFWDLYXPZGW-OLZOCXBDSA-N 1 0 379.302 3.705 20 30 GHEDRO C=CCCC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000532662589 887273825 /nfs/dbraw/zinc/27/38/25/887273825.db2.gz VSFFPBDSXUXUOB-UHFFFAOYSA-N 1 0 380.414 3.839 20 30 GHEDRO CC(Cc1ccsc1)=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000729635558 887326319 /nfs/dbraw/zinc/32/63/19/887326319.db2.gz AGSWSRKLDXMKOQ-UHFFFAOYSA-N 1 0 386.590 3.795 20 30 GHEDRO C=CCOCCCC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001131712001 887453993 /nfs/dbraw/zinc/45/39/93/887453993.db2.gz NKRMRZYKUVBAOA-QGZVFWFLSA-N 1 0 395.341 3.641 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)CC1 ZINC000171736567 887538494 /nfs/dbraw/zinc/53/84/94/887538494.db2.gz WWGBTVDWRSHJFZ-UHFFFAOYSA-N 1 0 386.540 3.721 20 30 GHEDRO Cc1cc(N2CC[C@@H]([n+]3ccc4c(c3)CCCC4)C2=O)ccc1Br ZINC000359871662 887609931 /nfs/dbraw/zinc/60/99/31/887609931.db2.gz NHOKVEJFFPDXLF-LJQANCHMSA-N 1 0 386.313 3.902 20 30 GHEDRO Cc1cc(N2CC[C@H]([n+]3ccc4c(c3)CCCC4)C2=O)ccc1Br ZINC000359871625 887610569 /nfs/dbraw/zinc/61/05/69/887610569.db2.gz NHOKVEJFFPDXLF-IBGZPJMESA-N 1 0 386.313 3.902 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[NH+](CC(C)C)CC2)c1=S ZINC000915834096 887681946 /nfs/dbraw/zinc/68/19/46/887681946.db2.gz OWCRVIUWPFHBJS-UHFFFAOYSA-N 1 0 389.544 3.637 20 30 GHEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000809717106 887738727 /nfs/dbraw/zinc/73/87/27/887738727.db2.gz XOICWQQALFVFQQ-LJQANCHMSA-N 1 0 394.515 3.576 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000670230750 887762029 /nfs/dbraw/zinc/76/20/29/887762029.db2.gz PNJTZGNEJLYUBV-NRFANRHFSA-N 1 0 379.552 3.704 20 30 GHEDRO C[C@H]1C[C@@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120231187 887996197 /nfs/dbraw/zinc/99/61/97/887996197.db2.gz BMJDDQHZTUBWRP-PGRDOPGGSA-N 1 0 390.531 3.594 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1sccc1CC#N)c1ccccc1O2 ZINC000864860093 888038544 /nfs/dbraw/zinc/03/85/44/888038544.db2.gz FSFDMTLUFVNERW-KRWDZBQOSA-N 1 0 381.501 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000810088179 888143365 /nfs/dbraw/zinc/14/33/65/888143365.db2.gz VGJSROXYCLFCPQ-SFTDATJTSA-N 1 0 399.535 3.561 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000194245152 888145296 /nfs/dbraw/zinc/14/52/96/888145296.db2.gz RAVGEHRGNWCCLE-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)cc1C)CC2 ZINC001275309493 913230922 /nfs/dbraw/zinc/23/09/22/913230922.db2.gz ZVMWQTBFSASSAD-QGZVFWFLSA-N 1 0 377.326 3.662 20 30 GHEDRO N#Cc1csc(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)n1 ZINC000810149457 888238608 /nfs/dbraw/zinc/23/86/08/888238608.db2.gz MGBKJRNEAKMUHN-UHFFFAOYSA-N 1 0 383.521 3.831 20 30 GHEDRO C[NH+]1CCC(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000105277710 888291037 /nfs/dbraw/zinc/29/10/37/888291037.db2.gz HKZXJPNZZTUIPS-UHFFFAOYSA-N 1 0 392.503 3.795 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)ccc1C#N ZINC000810251731 888354117 /nfs/dbraw/zinc/35/41/17/888354117.db2.gz WIEUZQKIJWOFFZ-HNNXBMFYSA-N 1 0 385.895 3.908 20 30 GHEDRO CC(C)n1c(Sc2cc(C(F)(F)F)cc(C#N)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000865543839 888427786 /nfs/dbraw/zinc/42/77/86/888427786.db2.gz BFEJEENZCVOMTC-LLVKDONJSA-N 1 0 396.442 3.763 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccccc3)CCOCC2)c1C ZINC000532709132 888457974 /nfs/dbraw/zinc/45/79/74/888457974.db2.gz YMNYBGPWWBGIJG-UHFFFAOYSA-N 1 0 391.515 3.846 20 30 GHEDRO C=C(Br)C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000729681736 888475651 /nfs/dbraw/zinc/47/56/51/888475651.db2.gz JSLOOMQHJZNASW-UHFFFAOYSA-N 1 0 394.338 3.645 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000810418792 888483458 /nfs/dbraw/zinc/48/34/58/888483458.db2.gz ZTIUZAKAVOVCLK-LBPRGKRZSA-N 1 0 378.332 3.542 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000865634770 888490107 /nfs/dbraw/zinc/49/01/07/888490107.db2.gz IJRBWMDPZOQURP-QFIPXVFZSA-N 1 0 379.504 3.610 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193877291 888531711 /nfs/dbraw/zinc/53/17/11/888531711.db2.gz PFWMOLNOSNKQGL-PKOBYXMFSA-N 1 0 378.476 3.621 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1OC ZINC000865778236 888565792 /nfs/dbraw/zinc/56/57/92/888565792.db2.gz HPFVPPCXKHMEFF-INIZCTEOSA-N 1 0 381.900 3.589 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3CC4(CO3)CCOCC4)c2)c1 ZINC000865781925 888569320 /nfs/dbraw/zinc/56/93/20/888569320.db2.gz URMDRRFFZBNVQE-HSZRJFAPSA-N 1 0 392.499 3.813 20 30 GHEDRO COc1cc(C=NNCC[NH+]2CCCCC2)cc(OC)c1OCc1ccccc1 ZINC000915974797 888592541 /nfs/dbraw/zinc/59/25/41/888592541.db2.gz LSBNMAPEQJOCIG-UHFFFAOYSA-N 1 0 397.519 3.692 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810580763 888657986 /nfs/dbraw/zinc/65/79/86/888657986.db2.gz LJRTYMSOYXHHJJ-JOCHJYFZSA-N 1 0 387.499 3.652 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000536637654 888694739 /nfs/dbraw/zinc/69/47/39/888694739.db2.gz JJNUAQUTICNGNC-STEQJIOHSA-N 1 0 389.543 3.617 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000153923697 888864096 /nfs/dbraw/zinc/86/40/96/888864096.db2.gz UQUSOULUXZEDPS-QRWLVFNGSA-N 1 0 396.560 3.641 20 30 GHEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866446783 888881798 /nfs/dbraw/zinc/88/17/98/888881798.db2.gz TZYQEUCDKDDJBH-SFHVURJKSA-N 1 0 376.504 3.842 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454373234 888912681 /nfs/dbraw/zinc/91/26/81/888912681.db2.gz KCTKYHSPSUWOGD-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000810843065 888934783 /nfs/dbraw/zinc/93/47/83/888934783.db2.gz CZXWRZCTKCVBIX-VQTJNVASSA-N 1 0 392.503 3.864 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000496688960 888986349 /nfs/dbraw/zinc/98/63/49/888986349.db2.gz OJSZQKZQQUTCDL-QFIPXVFZSA-N 1 0 385.552 3.932 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNCc2ccccc2N(C)C)c1C ZINC000794948966 889041499 /nfs/dbraw/zinc/04/14/99/889041499.db2.gz HYVVUKJREPIBHV-JOCHJYFZSA-N 1 0 381.568 3.779 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000121699792 889095323 /nfs/dbraw/zinc/09/53/23/889095323.db2.gz ZUPXIYZHRRTRNQ-PMACEKPBSA-N 1 0 399.535 3.516 20 30 GHEDRO N#Cc1cccc(OCCCN2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000763397614 889219951 /nfs/dbraw/zinc/21/99/51/889219951.db2.gz UYKNEVJZFARJFO-UHFFFAOYSA-N 1 0 386.499 3.693 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000121940298 889234223 /nfs/dbraw/zinc/23/42/23/889234223.db2.gz HEHSXAMKSOZLCL-WOJBJXKFSA-N 1 0 381.476 3.848 20 30 GHEDRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867975855 889244158 /nfs/dbraw/zinc/24/41/58/889244158.db2.gz BIPRSJPABMUYNH-KDOFPFPSSA-N 1 0 382.533 3.853 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000454554201 889271908 /nfs/dbraw/zinc/27/19/08/889271908.db2.gz WAKOOLYLCZLLDJ-GFCCVEGCSA-N 1 0 384.293 3.599 20 30 GHEDRO CCS[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)n1 ZINC000154123822 889297134 /nfs/dbraw/zinc/29/71/34/889297134.db2.gz KLYXLSLDBQQIRO-AWEZNQCLSA-N 1 0 389.525 3.711 20 30 GHEDRO COCCC1(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]CC1 ZINC000868114184 889301279 /nfs/dbraw/zinc/30/12/79/889301279.db2.gz KKJAXKBAUFZUEM-UHFFFAOYSA-N 1 0 394.475 3.631 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000454657920 889517168 /nfs/dbraw/zinc/51/71/68/889517168.db2.gz TUYDUINBRCVQMH-UHFFFAOYSA-N 1 0 375.516 3.692 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000533028571 889544460 /nfs/dbraw/zinc/54/44/60/889544460.db2.gz COPUCCCKNZPHGD-SFHVURJKSA-N 1 0 392.341 3.862 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)c1 ZINC000533038112 889589934 /nfs/dbraw/zinc/58/99/34/889589934.db2.gz BOYKPDJEVVPQNT-UHFFFAOYSA-N 1 0 397.482 3.866 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000533052873 889630289 /nfs/dbraw/zinc/63/02/89/889630289.db2.gz VGGXLZXVGWDOAS-FGTMMUONSA-N 1 0 386.565 3.578 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000533059883 889650161 /nfs/dbraw/zinc/65/01/61/889650161.db2.gz UXXXHONDTHFHJK-UHFFFAOYSA-N 1 0 391.515 3.846 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000533080171 889709432 /nfs/dbraw/zinc/70/94/32/889709432.db2.gz QIMNAUGNAGSCKM-QZTJIDSGSA-N 1 0 389.927 3.644 20 30 GHEDRO Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1NC(=O)c1ccccc1 ZINC000064361288 889918549 /nfs/dbraw/zinc/91/85/49/889918549.db2.gz RYANRKHCLBMGIP-UHFFFAOYSA-N 1 0 392.503 3.555 20 30 GHEDRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533284842 890186993 /nfs/dbraw/zinc/18/69/93/890186993.db2.gz DCHIOLXQHAAZHT-QHCPKHFHSA-N 1 0 390.531 3.680 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000795101588 890255842 /nfs/dbraw/zinc/25/58/42/890255842.db2.gz QDPMVVXAERIJDR-AZUAARDMSA-N 1 0 385.508 3.658 20 30 GHEDRO C=C1CC(C)(C(=O)N([C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)S(C)(=O)=O)C1 ZINC001184794392 913438485 /nfs/dbraw/zinc/43/84/85/913438485.db2.gz DEDZVZGOPMAOFJ-WOJBJXKFSA-N 1 0 398.528 3.572 20 30 GHEDRO C[NH+]1CCC(N(C(=O)c2cc(Cl)c(C#N)c(Cl)n2)C2CCCC2)CC1 ZINC001184807988 913443566 /nfs/dbraw/zinc/44/35/66/913443566.db2.gz NXGGIFFBFCGTJO-UHFFFAOYSA-N 1 0 381.307 3.739 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1OCCCC#N ZINC000266098514 890456224 /nfs/dbraw/zinc/45/62/24/890456224.db2.gz ZZBCGCOTNYZKEH-KRWDZBQOSA-N 1 0 392.858 3.993 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001275338098 913456688 /nfs/dbraw/zinc/45/66/88/913456688.db2.gz ZTUOJURBOSXIGW-GOSISDBHSA-N 1 0 376.463 3.769 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000747801246 890849043 /nfs/dbraw/zinc/84/90/43/890849043.db2.gz IFKYNDCJRKRXGN-KRWDZBQOSA-N 1 0 386.565 3.900 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)cc2)C1 ZINC000917075818 890975910 /nfs/dbraw/zinc/97/59/10/890975910.db2.gz PDFGIWDRETZZJT-IYBDPMFKSA-N 1 0 379.464 3.951 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1C ZINC000812841876 891031646 /nfs/dbraw/zinc/03/16/46/891031646.db2.gz WLVJLZRCDLEXQG-YTFSRNRJSA-N 1 0 397.563 3.956 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)c2ccccc21 ZINC000872220610 891212967 /nfs/dbraw/zinc/21/29/67/891212967.db2.gz QKAIDKGZJLYOTN-DLBZAZTESA-N 1 0 387.524 3.806 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000170670742 891303591 /nfs/dbraw/zinc/30/35/91/891303591.db2.gz UZSLRTVNUAMIHY-MRXNPFEDSA-N 1 0 383.517 3.807 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000033221886 891452963 /nfs/dbraw/zinc/45/29/63/891452963.db2.gz VPDWDYKFPWEQIE-UHFFFAOYSA-N 1 0 377.488 3.743 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC000873183166 891509309 /nfs/dbraw/zinc/50/93/09/891509309.db2.gz XAEQKEGEIXIWBE-KANFNMMFSA-N 1 0 385.508 3.855 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873317094 891579738 /nfs/dbraw/zinc/57/97/38/891579738.db2.gz ZVZBDXGJJLMJRR-CRAIPNDOSA-N 1 0 388.487 3.880 20 30 GHEDRO C=CCc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000497427075 891589169 /nfs/dbraw/zinc/58/91/69/891589169.db2.gz SJYVZJNRCPYZQN-NRFANRHFSA-N 1 0 394.515 3.713 20 30 GHEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000614925039 891604010 /nfs/dbraw/zinc/60/40/10/891604010.db2.gz SJXXIKSKQTWLPE-SFHVURJKSA-N 1 0 378.398 3.502 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)cc1C ZINC000917212291 891631406 /nfs/dbraw/zinc/63/14/06/891631406.db2.gz ANGRHRSAZVTVOZ-UHFFFAOYSA-N 1 0 390.531 3.762 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000251681001 891638324 /nfs/dbraw/zinc/63/83/24/891638324.db2.gz NLYCAULUZJXEHD-ZHALLVOQSA-N 1 0 397.548 3.847 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000497494259 891734800 /nfs/dbraw/zinc/73/48/00/891734800.db2.gz YEWCFMCFENPLEG-HXUWFJFHSA-N 1 0 398.890 3.546 20 30 GHEDRO C=C(Br)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000125009504 892137545 /nfs/dbraw/zinc/13/75/45/892137545.db2.gz FJMSOKFMQBFPRV-JTQLQIEISA-N 1 0 376.092 3.664 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1)CC(C)C ZINC000497695423 892182232 /nfs/dbraw/zinc/18/22/32/892182232.db2.gz DREFCLFGJYSEEB-UHFFFAOYSA-N 1 0 384.568 3.844 20 30 GHEDRO COc1ccc(CN[NH+]=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1 ZINC000917549278 892191101 /nfs/dbraw/zinc/19/11/01/892191101.db2.gz UJTRMYDYUYTUIP-UHFFFAOYSA-N 1 0 389.503 3.913 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000170684799 892404948 /nfs/dbraw/zinc/40/49/48/892404948.db2.gz BFPRJCMTLZKDOH-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C=CCOc1ccc(COC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000875554818 892684079 /nfs/dbraw/zinc/68/40/79/892684079.db2.gz AMLGHUIPBAEACO-VXKWHMMOSA-N 1 0 397.519 3.542 20 30 GHEDRO C#CCCN1CC[NH+](CCCC(=O)Nc2c(CC)ccc(Cl)c2CC)CC1 ZINC000271992918 892878954 /nfs/dbraw/zinc/87/89/54/892878954.db2.gz FFXHZEKFTJJSKV-UHFFFAOYSA-N 1 0 389.971 3.824 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000933246814 892974963 /nfs/dbraw/zinc/97/49/63/892974963.db2.gz DEMBXDQPAUAZSJ-ROUUACIJSA-N 1 0 388.581 3.539 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)CC1(c2cccc(Cl)c2)CCOCC1 ZINC001185152737 913720435 /nfs/dbraw/zinc/72/04/35/913720435.db2.gz MDGACJYYSBLAEQ-IBGZPJMESA-N 1 0 376.928 3.545 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](CCOc1cccc(C#N)c1)CC2 ZINC000814644229 893035891 /nfs/dbraw/zinc/03/58/91/893035891.db2.gz GDFVDBUQBFAPBR-UHFFFAOYSA-N 1 0 385.508 3.660 20 30 GHEDRO C[C@](NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)(C1CC1)C(F)(F)F ZINC000933563605 893077428 /nfs/dbraw/zinc/07/74/28/893077428.db2.gz CPHMAEIZAYGKPY-IBGZPJMESA-N 1 0 394.441 3.553 20 30 GHEDRO COc1ccc(F)cc1-c1cncc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933644084 893113551 /nfs/dbraw/zinc/11/35/51/893113551.db2.gz JOZNJSADQAXALS-UHFFFAOYSA-N 1 0 382.435 3.734 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000498076170 893160187 /nfs/dbraw/zinc/16/01/87/893160187.db2.gz DNFVRPYULOIHNB-MRXNPFEDSA-N 1 0 381.476 3.533 20 30 GHEDRO CC(C)(C)OC(=O)NC(=C[NH2+]Nc1nc(-c2ccccc2)no1)CC(F)(F)F ZINC000814829310 893212360 /nfs/dbraw/zinc/21/23/60/893212360.db2.gz PCHRIWQPPPTAOK-GFCCVEGCSA-N 1 0 399.373 3.980 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(C2CC2)c1 ZINC000933842218 893252440 /nfs/dbraw/zinc/25/24/40/893252440.db2.gz QEWJRYAHRRWBAX-UHFFFAOYSA-N 1 0 382.508 3.544 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000876611737 893253495 /nfs/dbraw/zinc/25/34/95/893253495.db2.gz PWKKDQXOLWLNHP-MRXNPFEDSA-N 1 0 384.307 3.811 20 30 GHEDRO CC(C)Oc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000455775330 893294365 /nfs/dbraw/zinc/29/43/65/893294365.db2.gz ZDRLMKFKEVIDBN-UHFFFAOYSA-N 1 0 380.492 3.941 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)N3CCC(CCC#N)CC3)cc2)C[C@H](C)O1 ZINC000563034354 893303207 /nfs/dbraw/zinc/30/32/07/893303207.db2.gz FYJSZFJTDTZRIF-OALUTQOASA-N 1 0 398.551 3.521 20 30 GHEDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000429767464 893335941 /nfs/dbraw/zinc/33/59/41/893335941.db2.gz DXPIXKVQSXEONY-HZPDHXFCSA-N 1 0 389.565 3.700 20 30 GHEDRO N#Cc1cccc(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)n1 ZINC000876855830 893363065 /nfs/dbraw/zinc/36/30/65/893363065.db2.gz DBXMBYBCPLTLMR-UHFFFAOYSA-N 1 0 377.492 3.770 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000876888832 893373533 /nfs/dbraw/zinc/37/35/33/893373533.db2.gz GYEKALTVXKZRNQ-MRXNPFEDSA-N 1 0 390.742 3.544 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000877086440 893475586 /nfs/dbraw/zinc/47/55/86/893475586.db2.gz YKWQDMZTNNXHHM-AUSIDOKSSA-N 1 0 394.515 3.988 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000918354261 893543517 /nfs/dbraw/zinc/54/35/17/893543517.db2.gz BBVKBSGKQLEWLG-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccc(OCC#N)cc4)C3)CC2=O)c1 ZINC001137117745 893553138 /nfs/dbraw/zinc/55/31/38/893553138.db2.gz DRWRNZAOUFKKCV-QHCPKHFHSA-N 1 0 375.472 3.526 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000877312153 893558621 /nfs/dbraw/zinc/55/86/21/893558621.db2.gz CZKHKEVFUUPIKN-FXAWDEMLSA-N 1 0 379.545 3.712 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000129550859 893600167 /nfs/dbraw/zinc/60/01/67/893600167.db2.gz HPOZVEYAUGPUNC-JAXLGGSGSA-N 1 0 393.535 3.718 20 30 GHEDRO CC[N@H+](CCC1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1)CC1CC1 ZINC000536737647 893699219 /nfs/dbraw/zinc/69/92/19/893699219.db2.gz PJYNWXPCTSOBAJ-QFIPXVFZSA-N 1 0 383.536 3.606 20 30 GHEDRO C[C@@H](CCC#N)C[NH+]1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877660120 893750211 /nfs/dbraw/zinc/75/02/11/893750211.db2.gz DUUNLYSZBVIWQG-HKUYNNGSSA-N 1 0 379.545 3.664 20 30 GHEDRO Cc1nsc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC000459557142 893803318 /nfs/dbraw/zinc/80/33/18/893803318.db2.gz GUFQELXQQAUVAE-AWEZNQCLSA-N 1 0 375.542 3.832 20 30 GHEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1I ZINC000536874432 893986329 /nfs/dbraw/zinc/98/63/29/893986329.db2.gz DJFIARMYQZYMEG-CYBMUJFWSA-N 1 0 392.240 3.892 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000878222610 894104495 /nfs/dbraw/zinc/10/44/95/894104495.db2.gz ILSHVMGNSFRGJR-QHCPKHFHSA-N 1 0 399.535 3.664 20 30 GHEDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCC2 ZINC000459780561 894182393 /nfs/dbraw/zinc/18/23/93/894182393.db2.gz XXRWIEDABBSYNA-MOPGFXCFSA-N 1 0 384.524 3.577 20 30 GHEDRO CCC(CC)[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccs1 ZINC000537075937 894296270 /nfs/dbraw/zinc/29/62/70/894296270.db2.gz KSTXDVZHJLIQPM-WIYYLYMNSA-N 1 0 390.597 3.507 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(O)(Cc2cccc(C)c2)CC1)c1ccccc1 ZINC000878537879 894369952 /nfs/dbraw/zinc/36/99/52/894369952.db2.gz UFMJZUVXPOGTEK-RUZDIDTESA-N 1 0 390.527 3.805 20 30 GHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C3(C#N)CCCCC3)cc2)C[C@H]1C ZINC000537139517 894395836 /nfs/dbraw/zinc/39/58/36/894395836.db2.gz NGWUYVMBFZJEIB-BGYRXZFFSA-N 1 0 397.563 3.786 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022798915 894410067 /nfs/dbraw/zinc/41/00/67/894410067.db2.gz STWLWSVQPSDIEI-UHFFFAOYSA-O 1 0 395.548 3.966 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000537158923 894437581 /nfs/dbraw/zinc/43/75/81/894437581.db2.gz VVEMEIPUMFISCS-HSZRJFAPSA-N 1 0 387.458 3.887 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCN(c2ccccc2F)CC1)c1ccccc1 ZINC000878611879 894441850 /nfs/dbraw/zinc/44/18/50/894441850.db2.gz VDIMQOGZOATSOH-QHCPKHFHSA-N 1 0 379.479 3.778 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000537175029 894493641 /nfs/dbraw/zinc/49/36/41/894493641.db2.gz OKDWRJUWJAUDRI-YWZLYKJASA-N 1 0 399.564 3.987 20 30 GHEDRO CCCC[N@H+](CCCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000537177036 894499327 /nfs/dbraw/zinc/49/93/27/894499327.db2.gz KSLQZDCKRUMYGQ-HNNXBMFYSA-N 1 0 377.554 3.558 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000564074946 894550543 /nfs/dbraw/zinc/55/05/43/894550543.db2.gz XXTWGLHSONZJBV-XXBNENTESA-N 1 0 390.531 3.701 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)/C=C/C(=O)c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC001135450724 894605223 /nfs/dbraw/zinc/60/52/23/894605223.db2.gz KBFZBFUIUJKIBV-DGXIYAMASA-N 1 0 392.499 3.696 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000537293978 894718061 /nfs/dbraw/zinc/71/80/61/894718061.db2.gz OMOULXXLIUKCLI-HOCLYGCPSA-N 1 0 378.394 3.959 20 30 GHEDRO Cn1ccnc1[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000537295736 894720991 /nfs/dbraw/zinc/72/09/91/894720991.db2.gz MTVUQQIKGMOWCY-QHCPKHFHSA-N 1 0 385.515 3.635 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC2(CCSCC2)CC1 ZINC000879199891 894899630 /nfs/dbraw/zinc/89/96/30/894899630.db2.gz BFQSXPAVYFBDIM-QGZVFWFLSA-N 1 0 392.528 3.833 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879408171 895038862 /nfs/dbraw/zinc/03/88/62/895038862.db2.gz UIHCHSQXVQKWOP-YJBOKZPZSA-N 1 0 375.538 3.814 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000816766606 895060341 /nfs/dbraw/zinc/06/03/41/895060341.db2.gz BYCSEVKDKMPGOA-OAHLLOKOSA-N 1 0 390.443 3.701 20 30 GHEDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000564536381 895062840 /nfs/dbraw/zinc/06/28/40/895062840.db2.gz FPUQNCHZMKVTAT-IBGZPJMESA-N 1 0 394.368 3.937 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897574778 895096882 /nfs/dbraw/zinc/09/68/82/895096882.db2.gz LGAADZGRBIVYBG-PKTZIBPZSA-N 1 0 390.531 3.824 20 30 GHEDRO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCCCC(C)(C)C#N)C2)cn1 ZINC000879606139 895170257 /nfs/dbraw/zinc/17/02/57/895170257.db2.gz QLWPHGADHRIHQF-QZTJIDSGSA-N 1 0 388.556 3.887 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000879670463 895219235 /nfs/dbraw/zinc/21/92/35/895219235.db2.gz QUFJZSFTINQZGI-ZLKJLUDKSA-N 1 0 383.439 3.922 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1cc2cnccc2o1 ZINC000879714049 895252859 /nfs/dbraw/zinc/25/28/59/895252859.db2.gz UDMPBSJNXYAJSR-GFCCVEGCSA-N 1 0 380.473 3.929 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000817021991 895265321 /nfs/dbraw/zinc/26/53/21/895265321.db2.gz DZQVIYMLRBDFFK-FQEVSTJZSA-N 1 0 379.504 3.957 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000564844562 895278181 /nfs/dbraw/zinc/27/81/81/895278181.db2.gz JEKYTMQSVNEGOP-JWQCQUIFSA-N 1 0 394.559 3.702 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000564962186 895328994 /nfs/dbraw/zinc/32/89/94/895328994.db2.gz CVTDBNXVXQSMHV-JKSUJKDBSA-N 1 0 385.478 3.660 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000564966706 895334604 /nfs/dbraw/zinc/33/46/04/895334604.db2.gz YRXNZTOEWATRBM-GOSISDBHSA-N 1 0 391.924 3.555 20 30 GHEDRO C=C[C@H](CC)CC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001135856761 895427570 /nfs/dbraw/zinc/42/75/70/895427570.db2.gz RGYVXZZTVPXODI-QGZVFWFLSA-N 1 0 397.485 3.936 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879998090 895437563 /nfs/dbraw/zinc/43/75/63/895437563.db2.gz KTAWGGFUHRUCFT-KBMIEXCESA-N 1 0 394.478 3.814 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cc(C#N)n1 ZINC001185691812 914023226 /nfs/dbraw/zinc/02/32/26/914023226.db2.gz CYAFNPIMVJZUDZ-UHFFFAOYSA-N 1 0 384.352 3.818 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000880928963 896007606 /nfs/dbraw/zinc/00/76/06/896007606.db2.gz ZLEKBDYLXXTUQS-RDJZCZTQSA-N 1 0 382.430 3.535 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)Nc2cccc(CC#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000881149954 896200817 /nfs/dbraw/zinc/20/08/17/896200817.db2.gz GBEIOOSHIAVYSJ-MJGOQNOKSA-N 1 0 377.492 3.570 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910610 896206049 /nfs/dbraw/zinc/20/60/49/896206049.db2.gz LTDCURBWATZJIJ-LJQANCHMSA-N 1 0 393.918 3.963 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1 ZINC000818609396 896235386 /nfs/dbraw/zinc/23/53/86/896235386.db2.gz SRLTXKNPXVFWPU-UHFFFAOYSA-N 1 0 387.524 3.607 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000566407493 896293278 /nfs/dbraw/zinc/29/32/78/896293278.db2.gz MOZAIVHLPOCMQA-ZEYPLWLESA-N 1 0 391.515 3.524 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCCC[N@@H+](C)C(C)C)s1 ZINC000819097614 896373716 /nfs/dbraw/zinc/37/37/16/896373716.db2.gz KQKCHEWDCCOKFV-UHFFFAOYSA-N 1 0 375.991 3.685 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)ccc1OC ZINC000819069269 896386014 /nfs/dbraw/zinc/38/60/14/896386014.db2.gz NSVKHEUZDRDMNF-CRAIPNDOSA-N 1 0 392.858 3.992 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000819205672 896479049 /nfs/dbraw/zinc/47/90/49/896479049.db2.gz ONLWZGAQWSTKEM-HXUWFJFHSA-N 1 0 395.503 3.591 20 30 GHEDRO CC[C@H](CNC(=O)Cc1c(C)cc(C#N)cc1C)[N@@H+]1CCc2ccccc2C1 ZINC001136200807 896514200 /nfs/dbraw/zinc/51/42/00/896514200.db2.gz LHVXKLPDNPZFMI-JOCHJYFZSA-N 1 0 375.516 3.671 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819270736 896557732 /nfs/dbraw/zinc/55/77/32/896557732.db2.gz HPVZUVMWXYPHTF-MSOLQXFVSA-N 1 0 375.241 3.770 20 30 GHEDRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]Cc2ccc(C#N)cn2)c2ccccc2)cc1 ZINC000819314297 896607013 /nfs/dbraw/zinc/60/70/13/896607013.db2.gz WTAJIMKEJMGCLQ-ZEQRLZLVSA-N 1 0 387.483 3.518 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(NC3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000882270073 896740033 /nfs/dbraw/zinc/74/00/33/896740033.db2.gz YPLWKRVSJBEJNY-UHFFFAOYSA-N 1 0 386.459 3.612 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)c(OC)c1 ZINC000566968623 896754798 /nfs/dbraw/zinc/75/47/98/896754798.db2.gz BQFCIUDITDESEV-FRQCXROJSA-N 1 0 389.442 3.587 20 30 GHEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000567076926 896855012 /nfs/dbraw/zinc/85/50/12/896855012.db2.gz MAQQWHHIVZYMRH-IBGZPJMESA-N 1 0 396.466 3.834 20 30 GHEDRO N#CCSc1ccccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819639658 896881635 /nfs/dbraw/zinc/88/16/35/896881635.db2.gz HATCRCRDBXHZGW-AZUAARDMSA-N 1 0 377.513 3.649 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000778585642 897136140 /nfs/dbraw/zinc/13/61/40/897136140.db2.gz VEVZOCBUJYMKRD-APWZRJJASA-N 1 0 395.507 3.614 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(N(C)C(=O)OCC)CC2)ccc1OC ZINC000130879657 897239510 /nfs/dbraw/zinc/23/95/10/897239510.db2.gz RODPEHIJSFOEFZ-UHFFFAOYSA-N 1 0 376.497 3.703 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)c1ccccc1Cl ZINC000130907570 897250012 /nfs/dbraw/zinc/25/00/12/897250012.db2.gz PPVRQBIQFXCIGB-NRFANRHFSA-N 1 0 399.922 3.984 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000131062275 897308955 /nfs/dbraw/zinc/30/89/55/897308955.db2.gz WNAIPDJUMPANRW-OAQYLSRUSA-N 1 0 375.451 3.929 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000567684283 897335833 /nfs/dbraw/zinc/33/58/33/897335833.db2.gz GCDYPJHZSYTCIN-RHSMWYFYSA-N 1 0 389.849 3.606 20 30 GHEDRO C#C[C@H](NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000820495597 897339252 /nfs/dbraw/zinc/33/92/52/897339252.db2.gz QAUVNWBQRLSELW-YADHBBJMSA-N 1 0 394.494 3.591 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCc2ccon2)[n+]2cccc(C)c2)c1 ZINC000131242202 897384987 /nfs/dbraw/zinc/38/49/87/897384987.db2.gz BODYMIKNCNEMQB-UHFFFAOYSA-O 1 0 380.493 3.616 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H]([C@H]2CCOC2)C1 ZINC000883231869 897390760 /nfs/dbraw/zinc/39/07/60/897390760.db2.gz VECWGUIQSLJMBR-HBMCJLEFSA-N 1 0 399.535 3.504 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)ccc1OC(F)F ZINC000883358907 897532573 /nfs/dbraw/zinc/53/25/73/897532573.db2.gz TVYYLWKXLWAIKC-RDDDGLTNSA-N 1 0 379.272 3.506 20 30 GHEDRO C=CCOc1cccnc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568046481 897556404 /nfs/dbraw/zinc/55/64/04/897556404.db2.gz KXIWFLOTGKEHDK-KRWDZBQOSA-N 1 0 385.533 3.610 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137188748 897561797 /nfs/dbraw/zinc/56/17/97/897561797.db2.gz OYYAXPZMADJCKQ-UHFFFAOYSA-N 1 0 389.455 3.864 20 30 GHEDRO C=CCCC[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000883429802 897578141 /nfs/dbraw/zinc/57/81/41/897578141.db2.gz FPCBVVMXNSXTAC-DENIHFKCSA-N 1 0 385.552 3.884 20 30 GHEDRO N#CCCCN1CC[C@]2(CC[N@@H+](CCc3ccc(Cl)cc3Cl)C2)C1=O ZINC001276325152 914187236 /nfs/dbraw/zinc/18/72/36/914187236.db2.gz XLDGYBPPTLAPPY-IBGZPJMESA-N 1 0 380.319 3.764 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000132354173 897761888 /nfs/dbraw/zinc/76/18/88/897761888.db2.gz YLIQUFICYJJJNA-BFUOFWGJSA-N 1 0 387.842 3.665 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](N=Cc3cc4ccccc4[nH]c3=O)C2)cc(OC)c1 ZINC000132443900 897790724 /nfs/dbraw/zinc/79/07/24/897790724.db2.gz LUCAZYJXLUQPLX-NZYROCMPSA-N 1 0 391.471 3.651 20 30 GHEDRO C=CCCC[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000883858246 898068679 /nfs/dbraw/zinc/06/86/79/898068679.db2.gz GUSDQUILUBKCJA-QFIPXVFZSA-N 1 0 384.568 3.505 20 30 GHEDRO C=CCCC[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000883858245 898068936 /nfs/dbraw/zinc/06/89/36/898068936.db2.gz GUSDQUILUBKCJA-JOCHJYFZSA-N 1 0 384.568 3.505 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(OCc3csc(C)n3)c2)CC1 ZINC000106038187 898248381 /nfs/dbraw/zinc/24/83/81/898248381.db2.gz OFXKCPDXJYFDFI-UHFFFAOYSA-N 1 0 385.533 3.801 20 30 GHEDRO CC(C)O[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000568980212 898255969 /nfs/dbraw/zinc/25/59/69/898255969.db2.gz VREOVTVHYUCYEY-HUUCEWRRSA-N 1 0 375.538 3.572 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000106337736 898266522 /nfs/dbraw/zinc/26/65/22/898266522.db2.gz GPYBLIBOVYKEBT-UHFFFAOYSA-N 1 0 382.508 3.532 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)c(OC)c1 ZINC000569096656 898338466 /nfs/dbraw/zinc/33/84/66/898338466.db2.gz GYYGIHXHFWWUJL-XJUOHMSHSA-N 1 0 397.515 3.673 20 30 GHEDRO CCN(C(=O)NCc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569233637 898451809 /nfs/dbraw/zinc/45/18/09/898451809.db2.gz MIOINVFDDDUXBS-QFIPXVFZSA-N 1 0 376.504 3.559 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CCc3c(Cl)cccc3Cl)C2)C1=O ZINC001276331363 914265761 /nfs/dbraw/zinc/26/57/61/914265761.db2.gz KIRFQOUQKLOVFS-HXUWFJFHSA-N 1 0 395.330 3.953 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000884046092 898629903 /nfs/dbraw/zinc/62/99/03/898629903.db2.gz RRXODUWSZAQTSL-YAKODHLKSA-N 1 0 391.315 3.802 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000043489824 898631763 /nfs/dbraw/zinc/63/17/63/898631763.db2.gz SYYAVNZVDJCQMC-KRWDZBQOSA-N 1 0 377.492 3.501 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000569453033 898678698 /nfs/dbraw/zinc/67/86/98/898678698.db2.gz TZVKXCALOMNAHP-JENIJYKNSA-N 1 0 376.460 3.860 20 30 GHEDRO CN(c1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1)C1CC[NH+](C)CC1 ZINC000822869180 898700437 /nfs/dbraw/zinc/70/04/37/898700437.db2.gz XWAKDLKDQOFLGD-UHFFFAOYSA-N 1 0 384.430 3.619 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000569531338 898755027 /nfs/dbraw/zinc/75/50/27/898755027.db2.gz GDFYHYYZMANYIR-HNNXBMFYSA-N 1 0 390.512 3.957 20 30 GHEDRO N#CCOc1ccccc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000155437152 898778597 /nfs/dbraw/zinc/77/85/97/898778597.db2.gz HUOURHDCWMOOPT-UHFFFAOYSA-N 1 0 379.460 3.706 20 30 GHEDRO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](CCc1ccc(F)cc1Cl)CC2 ZINC001276330225 914283273 /nfs/dbraw/zinc/28/32/73/914283273.db2.gz FRMGKOSFTSTYEL-KRWDZBQOSA-N 1 0 377.891 3.544 20 30 GHEDRO C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884088186 898837704 /nfs/dbraw/zinc/83/77/04/898837704.db2.gz ATGILHQHONFITP-PWZSCBMMSA-N 1 0 379.529 3.977 20 30 GHEDRO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC1 ZINC000884095728 898857139 /nfs/dbraw/zinc/85/71/39/898857139.db2.gz XKMFXXIROOLBTR-XYLMPHNUSA-N 1 0 391.437 3.897 20 30 GHEDRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884096782 898861274 /nfs/dbraw/zinc/86/12/74/898861274.db2.gz HTIWLXYLQAEXKR-HVEKOLDVSA-N 1 0 380.319 3.870 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 ZINC000569733123 898916738 /nfs/dbraw/zinc/91/67/38/898916738.db2.gz KOMKJUWSIWJCGS-UHFFFAOYSA-N 1 0 378.524 3.708 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000569783410 898950431 /nfs/dbraw/zinc/95/04/31/898950431.db2.gz RQRDAGRLAMKUGI-FPOVZHCZSA-N 1 0 390.535 3.851 20 30 GHEDRO CC[NH+]1C[C@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@@H](C)C1 ZINC000331645350 899051347 /nfs/dbraw/zinc/05/13/47/899051347.db2.gz VQOIRJSKKDFDSS-IRXDYDNUSA-N 1 0 399.583 3.835 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1OCc1cccc(Cl)c1)C2 ZINC000884146606 899080558 /nfs/dbraw/zinc/08/05/58/899080558.db2.gz MVCICBFISDNUSO-PSCUFVCCSA-N 1 0 395.890 3.997 20 30 GHEDRO C[C@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1F ZINC000114509756 899090685 /nfs/dbraw/zinc/09/06/85/899090685.db2.gz YGXQYIYJZMFRHL-QFIPXVFZSA-N 1 0 396.441 3.739 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@](C)(O)c1ccccc1 ZINC000823584542 899098047 /nfs/dbraw/zinc/09/80/47/899098047.db2.gz HEEWYOIJIZXQFK-QFIPXVFZSA-N 1 0 397.544 3.667 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc3ccccc3nc1OC)CC2 ZINC001137203920 899128776 /nfs/dbraw/zinc/12/87/76/899128776.db2.gz QMUCLBBHBWSLBM-HSZRJFAPSA-N 1 0 379.504 3.777 20 30 GHEDRO Cc1c(COc2ccccc2)cccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884161618 899133945 /nfs/dbraw/zinc/13/39/45/899133945.db2.gz KCQXDYCTJIIZHR-FVRICEFQSA-N 1 0 375.472 3.652 20 30 GHEDRO COCC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000331896704 899251059 /nfs/dbraw/zinc/25/10/59/899251059.db2.gz HEKPCYGRZSNNMS-HNNXBMFYSA-N 1 0 389.565 3.822 20 30 GHEDRO CC1CCN(C(=O)C2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)CC1 ZINC000332110340 899408800 /nfs/dbraw/zinc/40/88/00/899408800.db2.gz IILPBZWLZHHJTE-UHFFFAOYSA-N 1 0 391.462 3.630 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(Cc1cc3ccccc3nc1OC)CCO2 ZINC001137205711 899442080 /nfs/dbraw/zinc/44/20/80/899442080.db2.gz NQILVQCTYWKQHB-NFBKMPQASA-N 1 0 382.504 3.817 20 30 GHEDRO C[C@H]1C[C@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)CCN1C(=O)OC(C)(C)C ZINC000824339578 899540546 /nfs/dbraw/zinc/54/05/46/899540546.db2.gz XIEGBIUSMQFOGU-RBUKOAKNSA-N 1 0 398.551 3.974 20 30 GHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000332361770 899605053 /nfs/dbraw/zinc/60/50/53/899605053.db2.gz QVTJRZQGWPPYSE-FQEVSTJZSA-N 1 0 377.916 3.786 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000824611165 899720021 /nfs/dbraw/zinc/72/00/21/899720021.db2.gz WMBTWLRAFIADDJ-UHFFFAOYSA-N 1 0 398.453 3.505 20 30 GHEDRO COc1ccc(CC[N@H+](CC(C)C)C[C@@H](O)c2ccc(C#N)cc2)cc1OC ZINC000156412085 899745450 /nfs/dbraw/zinc/74/54/50/899745450.db2.gz KXGNDZUSHGCDRK-OAQYLSRUSA-N 1 0 382.504 3.810 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c1C ZINC001136920922 899758855 /nfs/dbraw/zinc/75/88/55/899758855.db2.gz JQBSWCOZXYKIPQ-LJQANCHMSA-N 1 0 395.503 3.652 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1C ZINC001136921174 899760567 /nfs/dbraw/zinc/76/05/67/899760567.db2.gz UBPSSKSYRPQGRE-HXUWFJFHSA-N 1 0 395.503 3.652 20 30 GHEDRO CC(C)c1ccc(CC2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)cc1 ZINC000884322787 899791279 /nfs/dbraw/zinc/79/12/79/899791279.db2.gz VKCIVZUXSQTGPW-XERBYJISSA-N 1 0 379.548 3.730 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC001136936837 899813610 /nfs/dbraw/zinc/81/36/10/899813610.db2.gz MCLTYQOTPPFKOM-NRFANRHFSA-N 1 0 378.463 3.864 20 30 GHEDRO COc1nc2ccccc2cc1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC001137208097 899832357 /nfs/dbraw/zinc/83/23/57/899832357.db2.gz MXJGXSFBXJPCDT-UHFFFAOYSA-N 1 0 376.435 3.576 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000571426504 899862467 /nfs/dbraw/zinc/86/24/67/899862467.db2.gz NRDMPXGLXVVLBM-FQEVSTJZSA-N 1 0 397.544 3.857 20 30 GHEDRO C=CCC1([NH2+]C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CCCCC1 ZINC000825023904 899938304 /nfs/dbraw/zinc/93/83/04/899938304.db2.gz ICAGGMXHMAETSF-SFHVURJKSA-N 1 0 393.572 3.618 20 30 GHEDRO C[C@H](C#N)Oc1ccc(CNc2cc(N(C)C)c(Br)c[nH+]2)cc1 ZINC000825104156 899954314 /nfs/dbraw/zinc/95/43/14/899954314.db2.gz PSRUVBOHPBBGMX-GFCCVEGCSA-N 1 0 375.270 3.813 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000571846758 899988248 /nfs/dbraw/zinc/98/82/48/899988248.db2.gz GTEXWFAXYMQWCG-KXBFYZLASA-N 1 0 383.458 3.804 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000825160661 900021831 /nfs/dbraw/zinc/02/18/31/900021831.db2.gz UDIDIHFEGGFSMH-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCN(Cc3ccccc3)C2=O)c(O)c1 ZINC000134506850 900075811 /nfs/dbraw/zinc/07/58/11/900075811.db2.gz YEKHQDDBDNUSNQ-KCOUNZPASA-N 1 0 379.504 3.849 20 30 GHEDRO C=C(Br)CNC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000135013282 900163259 /nfs/dbraw/zinc/16/32/59/900163259.db2.gz RMMMEKJNBGCYFF-RDJZCZTQSA-N 1 0 380.330 3.762 20 30 GHEDRO N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000573190760 900410562 /nfs/dbraw/zinc/41/05/62/900410562.db2.gz YZMZRGKXSFTLFU-NRFANRHFSA-N 1 0 399.498 3.502 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000573232013 900428273 /nfs/dbraw/zinc/42/82/73/900428273.db2.gz PVBGPMJKCSXEFT-UHFFFAOYSA-N 1 0 395.551 3.989 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000573838719 900655975 /nfs/dbraw/zinc/65/59/75/900655975.db2.gz NNPOGFAVLHHHIP-AUUYWEPGSA-N 1 0 387.911 3.820 20 30 GHEDRO C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844367473 900779154 /nfs/dbraw/zinc/77/91/54/900779154.db2.gz BQSJQADMWVIILM-FQEVSTJZSA-N 1 0 387.524 3.561 20 30 GHEDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399533 900796573 /nfs/dbraw/zinc/79/65/73/900796573.db2.gz CBVZFEQEGQXMHA-NSISKUIASA-N 1 0 387.524 3.607 20 30 GHEDRO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)n1 ZINC000844409915 900840446 /nfs/dbraw/zinc/84/04/46/900840446.db2.gz MWDQAWRAZKWOPF-UZLBHIALSA-N 1 0 380.492 3.788 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(C)cc1 ZINC000063440570 900950304 /nfs/dbraw/zinc/95/03/04/900950304.db2.gz UWBCQYANWBQNIQ-UHFFFAOYSA-O 1 0 398.552 3.789 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(Br)c(OC)c(OCC)c2)CCOCC1 ZINC000886384171 900969982 /nfs/dbraw/zinc/96/99/82/900969982.db2.gz HZELQZFHFZIPCD-UHFFFAOYSA-N 1 0 382.298 3.519 20 30 GHEDRO C=CCNc1ncc(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)s1 ZINC001171140768 901093604 /nfs/dbraw/zinc/09/36/04/901093604.db2.gz WAEPWMIELSXGGK-SFHVURJKSA-N 1 0 384.549 3.916 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)ccc1C#N ZINC000575035917 901100067 /nfs/dbraw/zinc/10/00/67/901100067.db2.gz VRHCNUMWLITAOB-INIZCTEOSA-N 1 0 390.270 3.769 20 30 GHEDRO Cc1nc(Cl)ccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844649188 901138894 /nfs/dbraw/zinc/13/88/94/901138894.db2.gz FNGBZKJNBRXTPI-UHFFFAOYSA-N 1 0 383.883 3.701 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)ccc1S(C)(=O)=O ZINC000886688675 901228091 /nfs/dbraw/zinc/22/80/91/901228091.db2.gz XSEIYESFFFRZSW-CYBMUJFWSA-N 1 0 390.530 3.543 20 30 GHEDRO C[NH+](C)CCNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000646438991 914520889 /nfs/dbraw/zinc/52/08/89/914520889.db2.gz FDQVIMMXJDHBCX-UHFFFAOYSA-N 1 0 375.288 3.659 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc(OC)c1O ZINC000092144842 901475242 /nfs/dbraw/zinc/47/52/42/901475242.db2.gz XYKOKZXYPAGGLG-UHFFFAOYSA-N 1 0 386.536 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092704206 901507765 /nfs/dbraw/zinc/50/77/65/901507765.db2.gz IGGHFLKUGBDNBE-LJQANCHMSA-N 1 0 395.507 3.563 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000575968803 901537318 /nfs/dbraw/zinc/53/73/18/901537318.db2.gz PXVFOBGSFJIVLG-XZOQPEGZSA-N 1 0 388.515 3.822 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000576043328 901613076 /nfs/dbraw/zinc/61/30/76/901613076.db2.gz JPQMHLKCNSVPIT-LJQANCHMSA-N 1 0 377.492 3.775 20 30 GHEDRO CC1(C)COc2ccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc21 ZINC000845004973 901636017 /nfs/dbraw/zinc/63/60/17/901636017.db2.gz WMTQNJRLFYVBHW-UHFFFAOYSA-N 1 0 389.499 3.623 20 30 GHEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000140648307 901822534 /nfs/dbraw/zinc/82/25/34/901822534.db2.gz MHHUETNLCMMIBU-NSISKUIASA-N 1 0 392.503 3.749 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C[C@@H]21 ZINC000576316038 901939682 /nfs/dbraw/zinc/93/96/82/901939682.db2.gz NTZQGDAVYNHVQQ-BEFAXECRSA-N 1 0 381.863 3.780 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001171175452 902064780 /nfs/dbraw/zinc/06/47/80/902064780.db2.gz LLBDIHPUCXBLOV-CRAIPNDOSA-N 1 0 393.478 3.971 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1OCCc2ccccc21 ZINC000576599482 902120617 /nfs/dbraw/zinc/12/06/17/902120617.db2.gz VMLHXEWPPHOVFG-LJQANCHMSA-N 1 0 395.528 3.683 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000576670504 902177951 /nfs/dbraw/zinc/17/79/51/902177951.db2.gz RYILZZRIUNKECS-UHFFFAOYSA-N 1 0 394.567 3.947 20 30 GHEDRO COc1ccc(CN2CCC([NH2+][C@H](C)Cc3cccc(C#N)c3)CC2)cc1F ZINC001171195201 902283333 /nfs/dbraw/zinc/28/33/33/902283333.db2.gz QEVHJEXFYLQOLJ-QGZVFWFLSA-N 1 0 381.495 3.891 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000126170657 902294763 /nfs/dbraw/zinc/29/47/63/902294763.db2.gz BOLWINZDBNGUNN-UHFFFAOYSA-N 1 0 391.515 3.502 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC4(CCCC4)CC3)CC2)c1 ZINC000845738681 902327759 /nfs/dbraw/zinc/32/77/59/902327759.db2.gz BLTJYVCSSBZLCM-UHFFFAOYSA-N 1 0 380.536 3.888 20 30 GHEDRO CCC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1ccc(C#N)cc1 ZINC000047739911 902356979 /nfs/dbraw/zinc/35/69/79/902356979.db2.gz NQGUCASZFKYCQX-QGZVFWFLSA-N 1 0 395.503 3.665 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(OCC#N)c1 ZINC000126731376 902359178 /nfs/dbraw/zinc/35/91/78/902359178.db2.gz WKHQUHPNZNSCJJ-QFIPXVFZSA-N 1 0 391.515 3.502 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCCC4(CCCC4)C3)CC2)c1 ZINC000845741878 902360486 /nfs/dbraw/zinc/36/04/86/902360486.db2.gz HFTYRVQPYCILOR-UHFFFAOYSA-N 1 0 380.536 3.888 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2C[C@H]3Cc4c(c(-c5cccc(OC)c5)nn4C)[C@H]3C2)cc1 ZINC001144568893 902399396 /nfs/dbraw/zinc/39/93/96/902399396.db2.gz HPFHKRSHYTWABO-IRLDBZIGSA-N 1 0 383.495 3.849 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CCc3cc(C(=O)OC)c(-c4ccoc4)nc3CC2)cc1 ZINC001144568659 902399549 /nfs/dbraw/zinc/39/95/49/902399549.db2.gz BWRFUKKGRPRSDI-UHFFFAOYSA-N 1 0 386.451 3.710 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC001144572481 902405663 /nfs/dbraw/zinc/40/56/63/902405663.db2.gz ZMWDVRAADCRJMU-ZEQRLZLVSA-N 1 0 376.500 3.651 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC001144596616 902412707 /nfs/dbraw/zinc/41/27/07/902412707.db2.gz NXXHLDBZAUEYGR-QFIPXVFZSA-N 1 0 383.455 3.726 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001171211719 902693844 /nfs/dbraw/zinc/69/38/44/902693844.db2.gz HCSVJZWCUWGUOJ-VEXUSMLFSA-N 1 0 391.515 3.725 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001171215935 902753080 /nfs/dbraw/zinc/75/30/80/902753080.db2.gz DUIKHMOPUPYMKL-LJQANCHMSA-N 1 0 383.499 3.802 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1Cl ZINC000264055147 902811990 /nfs/dbraw/zinc/81/19/90/902811990.db2.gz AMMONUKAFYLBND-GFCCVEGCSA-N 1 0 393.318 3.861 20 30 GHEDRO C=CCOCCCC(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000129694062 902840378 /nfs/dbraw/zinc/84/03/78/902840378.db2.gz UNFCMSWGSJNXCQ-HXUWFJFHSA-N 1 0 382.508 3.560 20 30 GHEDRO CN1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726360 902849079 /nfs/dbraw/zinc/84/90/79/902849079.db2.gz SOIBRNPMPFDTHP-NZSAHSFTSA-N 1 0 395.469 3.733 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600735688 902858196 /nfs/dbraw/zinc/85/81/96/902858196.db2.gz PFPNVZWZTMXYJC-PBHICJAKSA-N 1 0 378.394 3.538 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001171221802 902909558 /nfs/dbraw/zinc/90/95/58/902909558.db2.gz VCOZKZJYVDVCRY-OAHLLOKOSA-N 1 0 389.425 3.510 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C1COC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001171224031 902932096 /nfs/dbraw/zinc/93/20/96/902932096.db2.gz OTNOBWOSDDSHDI-QGZVFWFLSA-N 1 0 399.535 3.590 20 30 GHEDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000264535948 903180104 /nfs/dbraw/zinc/18/01/04/903180104.db2.gz ZGYHDHVVXPWVOF-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO COC(=O)CCCCCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001144955997 903276394 /nfs/dbraw/zinc/27/63/94/903276394.db2.gz AZFHYTYCLCMEJL-UHFFFAOYSA-N 1 0 399.535 3.565 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000133061209 903341271 /nfs/dbraw/zinc/34/12/71/903341271.db2.gz UGTCZJJYCOJOII-IAGOWNOFSA-N 1 0 382.426 3.845 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(C#N)cn2)C[C@H]1c1cccc(F)c1 ZINC000846992541 903372639 /nfs/dbraw/zinc/37/26/39/903372639.db2.gz DQENTPPQVOQPAU-VQTJNVASSA-N 1 0 396.466 3.585 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001171266046 903450925 /nfs/dbraw/zinc/45/09/25/903450925.db2.gz DIZLOKYFNUTAGP-QRVBRYPASA-N 1 0 399.535 3.621 20 30 GHEDRO CCOc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc(SC)n1 ZINC001171274644 903470978 /nfs/dbraw/zinc/47/09/78/903470978.db2.gz LYNDQNVGMOUNFL-UHFFFAOYSA-N 1 0 383.521 3.567 20 30 GHEDRO C=CCCOCCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000578086778 903505678 /nfs/dbraw/zinc/50/56/78/903505678.db2.gz NYOUTTFJBRWYNN-UHFFFAOYSA-N 1 0 399.457 3.515 20 30 GHEDRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000578085061 903506098 /nfs/dbraw/zinc/50/60/98/903506098.db2.gz GBZMBQHZZFKCKO-VGOFRKELSA-N 1 0 377.488 3.971 20 30 GHEDRO C=C[C@H](CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000134702067 903557389 /nfs/dbraw/zinc/55/73/89/903557389.db2.gz FTTUGBCKZJYXAE-OAQYLSRUSA-N 1 0 378.516 3.619 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N2CCC(CCC#N)CC2)[NH+]2CCCC2)c1 ZINC000578233577 903639009 /nfs/dbraw/zinc/63/90/09/903639009.db2.gz DHXLYKSYYRQAFK-NRFANRHFSA-N 1 0 384.524 3.557 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000887729959 903671444 /nfs/dbraw/zinc/67/14/44/903671444.db2.gz ZWTDREHOHYLGGP-OAQYLSRUSA-N 1 0 389.455 3.580 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1OCCCC#N ZINC000136146247 903763146 /nfs/dbraw/zinc/76/31/46/903763146.db2.gz HAFQYDQURVRTEL-GOSISDBHSA-N 1 0 392.858 3.993 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000578387003 903791788 /nfs/dbraw/zinc/79/17/88/903791788.db2.gz RASBQFBMJXJXSE-HXUWFJFHSA-N 1 0 394.906 3.576 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)NC(C2CC2)C2CC2)[n+]2ccccc2)c1 ZINC000265384828 903856109 /nfs/dbraw/zinc/85/61/09/903856109.db2.gz RXUVAMJJCGUYJX-UHFFFAOYSA-O 1 0 381.521 3.700 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000772985768 903889683 /nfs/dbraw/zinc/88/96/83/903889683.db2.gz YHSFFBITSZJGHD-ZBFHGGJFSA-N 1 0 386.883 3.923 20 30 GHEDRO CC(C)c1[nH+]c(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccn21 ZINC000578539824 903944484 /nfs/dbraw/zinc/94/44/84/903944484.db2.gz FFUMDCMVKSRMTJ-IBGZPJMESA-N 1 0 387.487 3.615 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000141683417 903954646 /nfs/dbraw/zinc/95/46/46/903954646.db2.gz FSKJSFCFPSPTAO-UHFFFAOYSA-N 1 0 378.520 3.688 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000578661382 904033796 /nfs/dbraw/zinc/03/37/96/904033796.db2.gz ITOGTPBXPYLQDJ-SFHVURJKSA-N 1 0 385.531 3.752 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N ZINC000578682693 904047979 /nfs/dbraw/zinc/04/79/79/904047979.db2.gz UOLPAYYPUDAABA-PNHOKKKMSA-N 1 0 382.895 3.574 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000578702196 904063211 /nfs/dbraw/zinc/06/32/11/904063211.db2.gz QMKJHLXINFAELR-INIZCTEOSA-N 1 0 388.471 3.778 20 30 GHEDRO C=CCOc1ccc(C(=O)N(c2cccc(C)c2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001148466830 904079503 /nfs/dbraw/zinc/07/95/03/904079503.db2.gz XWMLVDPVYXQHJM-XUZZJYLKSA-N 1 0 392.499 3.728 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001148500353 904099173 /nfs/dbraw/zinc/09/91/73/904099173.db2.gz XBLGLBOYSKYYEB-IBGZPJMESA-N 1 0 380.463 3.731 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000578818745 904148123 /nfs/dbraw/zinc/14/81/23/904148123.db2.gz OBRCOKORPBOJPB-PMACEKPBSA-N 1 0 398.482 3.591 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000578849772 904178674 /nfs/dbraw/zinc/17/86/74/904178674.db2.gz RFDNWZMLSOXUNV-VQIMIIECSA-N 1 0 386.496 3.641 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)c1 ZINC000779105343 904230278 /nfs/dbraw/zinc/23/02/78/904230278.db2.gz WIEYXJYHNQGUML-NZQKXSOJSA-N 1 0 377.488 3.951 20 30 GHEDRO C[C@H](N[C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000578962919 904259939 /nfs/dbraw/zinc/25/99/39/904259939.db2.gz MZBGUHAIPSSEGG-QWRGUYRKSA-N 1 0 386.546 3.731 20 30 GHEDRO Cc1ccc(C)c(NC(=O)[C@@H](C)O/[NH+]=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000153612001 904382382 /nfs/dbraw/zinc/38/23/82/904382382.db2.gz DTSZVZITVVGPHT-MMTNMYCKSA-N 1 0 381.476 3.518 20 30 GHEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773027523 904383640 /nfs/dbraw/zinc/38/36/40/904383640.db2.gz QXGHVLFYCCPZJW-INIZCTEOSA-N 1 0 385.895 3.778 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)Nc1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001171375741 904404845 /nfs/dbraw/zinc/40/48/45/904404845.db2.gz CFIDBMKVPYZITJ-INIZCTEOSA-N 1 0 377.488 3.998 20 30 GHEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000579345213 904531417 /nfs/dbraw/zinc/53/14/17/904531417.db2.gz SJAQYJGRQOSQFR-VMRPVKRXSA-N 1 0 388.895 3.512 20 30 GHEDRO COc1ccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c(C(F)(F)F)c1 ZINC000104191251 904551583 /nfs/dbraw/zinc/55/15/83/904551583.db2.gz LZCKCRHEPCTNSM-UHFFFAOYSA-N 1 0 383.370 3.658 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)c1 ZINC000579433984 904599323 /nfs/dbraw/zinc/59/93/23/904599323.db2.gz XYDFKEXPNPFBGG-UHFFFAOYSA-N 1 0 385.471 3.595 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](NC(=[NH2+])c2ccc(F)cn2)C[C@H]1C(C)(C)C ZINC001171582753 904852168 /nfs/dbraw/zinc/85/21/68/904852168.db2.gz UIBYUEZENPGXFE-HOCLYGCPSA-N 1 0 378.492 3.740 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173748346 905112843 /nfs/dbraw/zinc/11/28/43/905112843.db2.gz JBQSZTDRPRUZKG-PKOBYXMFSA-N 1 0 379.508 3.695 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)C2 ZINC001171952638 905158156 /nfs/dbraw/zinc/15/81/56/905158156.db2.gz UXZDYFXEAPIYAI-FQUBMZHMSA-N 1 0 376.541 3.532 20 30 GHEDRO CC[C@H](C)[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1)C(=O)NO ZINC001172051323 905271640 /nfs/dbraw/zinc/27/16/40/905271640.db2.gz GNRHDEUOSULJPP-ULQDDVLXSA-N 1 0 397.560 3.599 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(CC#N)cc1 ZINC000174716023 905331054 /nfs/dbraw/zinc/33/10/54/905331054.db2.gz RMRCUHRXECQDMM-UHFFFAOYSA-N 1 0 393.491 3.547 20 30 GHEDRO C#CC1([NH2+]C2CCC(C(=O)OC)(c3ccc(Br)cc3)CC2)CC1 ZINC001172143198 905347754 /nfs/dbraw/zinc/34/77/54/905347754.db2.gz GEANKNKFOPWNOG-UHFFFAOYSA-N 1 0 376.294 3.558 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C)C(C)C ZINC000627073207 905411447 /nfs/dbraw/zinc/41/14/47/905411447.db2.gz GUOJDZGFLTXQAJ-UWJYYQICSA-N 1 0 398.551 3.977 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)[C@@H]3CCCO[C@H]23)cs1 ZINC001172306093 905461323 /nfs/dbraw/zinc/46/13/23/905461323.db2.gz BTAWESHADRWWNL-RGXPITOMSA-N 1 0 397.544 3.703 20 30 GHEDRO CCN1CC[C@@]2(C[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001172307431 905463309 /nfs/dbraw/zinc/46/33/09/905463309.db2.gz GYPJSKYWXHYWQV-CYSDGLOUSA-N 1 0 387.527 3.827 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001172307654 905463459 /nfs/dbraw/zinc/46/34/59/905463459.db2.gz PQAXMGMKXHMQKV-GOSISDBHSA-N 1 0 375.472 3.981 20 30 GHEDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+]([C@@H](C)Cc4ccc(C#N)cc4)C3)C2)n1 ZINC001172309228 905465273 /nfs/dbraw/zinc/46/52/73/905465273.db2.gz RQGKBPSZNPIKNQ-IEXUWNMDSA-N 1 0 391.515 3.643 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001172308646 905465318 /nfs/dbraw/zinc/46/53/18/905465318.db2.gz OXKLAIWOSFNBGU-MOFCZTIZSA-N 1 0 397.544 3.642 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172289498 905480559 /nfs/dbraw/zinc/48/05/59/905480559.db2.gz DECHMDLHPJFSHB-MONBJTKQSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(c2ncnc3ccccc32)CC1 ZINC001172298680 905483980 /nfs/dbraw/zinc/48/39/80/905483980.db2.gz FIJCINFKBULBDE-SFHVURJKSA-N 1 0 385.515 3.939 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001172356205 905526453 /nfs/dbraw/zinc/52/64/53/905526453.db2.gz VIXIZPXIKAQMCS-VNYTWHDVSA-N 1 0 391.556 3.880 20 30 GHEDRO CC(=O)CCN(CC[NH2+][C@@H](C)CCCC#N)c1nc2cc(Cl)ccc2o1 ZINC001172485899 905559433 /nfs/dbraw/zinc/55/94/33/905559433.db2.gz VHZWKCVUAHSNFY-AWEZNQCLSA-N 1 0 376.888 3.939 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CC1)c1ccc(Br)cc1NC2=O ZINC001172497140 905599835 /nfs/dbraw/zinc/59/98/35/905599835.db2.gz YPMVERJORXITTN-ZDUSSCGKSA-N 1 0 376.298 3.817 20 30 GHEDRO CCCCCCCC[C@H](CC)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001172503818 905602140 /nfs/dbraw/zinc/60/21/40/905602140.db2.gz BQQRUTKQRYAZIG-INIZCTEOSA-N 1 0 385.574 3.611 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCC(=O)Nc2sccc2C#N)C1 ZINC000365803926 921176078 /nfs/dbraw/zinc/17/60/78/921176078.db2.gz YGCYJCVRTVRGJT-DDBAPUKQSA-N 1 0 375.538 3.600 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)CC1 ZINC000176267510 905803006 /nfs/dbraw/zinc/80/30/06/905803006.db2.gz VLFKJKLDLSIFHE-HXUWFJFHSA-N 1 0 399.560 3.644 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801602025 921180959 /nfs/dbraw/zinc/18/09/59/921180959.db2.gz TVKAZIUYKARPPD-SFHVURJKSA-N 1 0 394.475 3.713 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)cc1OC ZINC000628123278 905970101 /nfs/dbraw/zinc/97/01/01/905970101.db2.gz JIQVPLPVRDCQND-UHFFFAOYSA-N 1 0 388.895 3.905 20 30 GHEDRO N#Cc1cccc(N2CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172921667 905992791 /nfs/dbraw/zinc/99/27/91/905992791.db2.gz QKWRNJURLQGWCC-HXUWFJFHSA-N 1 0 376.460 3.536 20 30 GHEDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172967472 906028663 /nfs/dbraw/zinc/02/86/63/906028663.db2.gz XTAKRHDWBZACGE-OTWHNJEPSA-N 1 0 387.524 3.952 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)cc1 ZINC001172990674 906049847 /nfs/dbraw/zinc/04/98/47/906049847.db2.gz QJKVSQKFYQKGDF-FHWLQOOXSA-N 1 0 385.508 3.776 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)C[C@H]1C#N ZINC001172982040 906049938 /nfs/dbraw/zinc/04/99/38/906049938.db2.gz RKUAQADOYLTCOL-MSOLQXFVSA-N 1 0 394.475 3.542 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]2COCc2ccccc2)C[C@H]1C#N ZINC001172986133 906051654 /nfs/dbraw/zinc/05/16/54/906051654.db2.gz URUYMADOGSKODH-ZCNNSNEGSA-N 1 0 385.508 3.569 20 30 GHEDRO COC1(c2ccccc2)CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172989285 906053625 /nfs/dbraw/zinc/05/36/25/906053625.db2.gz GVLRELGLYAMFNY-UXHICEINSA-N 1 0 399.535 3.916 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1OCCCC#N ZINC000365846846 921209399 /nfs/dbraw/zinc/20/93/99/921209399.db2.gz LDAVSGQSIJMXBD-HSZRJFAPSA-N 1 0 380.488 3.514 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3ccc(Br)c(F)c3C#N)c2)CC1 ZINC001212715518 906346725 /nfs/dbraw/zinc/34/67/25/906346725.db2.gz APNXJADFTNKCHQ-UHFFFAOYSA-N 1 0 389.272 3.955 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)CC1 ZINC001173334929 906378341 /nfs/dbraw/zinc/37/83/41/906378341.db2.gz ASKDEEVXOUYDOY-IQDQWBFVSA-N 1 0 387.499 3.943 20 30 GHEDRO C=CCOC1CCC([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)CC1 ZINC001173316868 906388917 /nfs/dbraw/zinc/38/89/17/906388917.db2.gz ODEJAGASEMVZKR-OGRPUPFISA-N 1 0 382.504 3.942 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCC2)C[C@H]1C(=O)OC(C)(C)C ZINC001173367367 906398664 /nfs/dbraw/zinc/39/86/64/906398664.db2.gz HTUWSNSSFCQCES-BRWVUGGUSA-N 1 0 392.540 3.738 20 30 GHEDRO CCC[N@H+](CCC#N)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173394228 906421364 /nfs/dbraw/zinc/42/13/64/906421364.db2.gz HOOUJSMFMAXDON-UHFFFAOYSA-N 1 0 378.314 3.679 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3ccncc3Br)CC2)C1=O ZINC001276003238 921234832 /nfs/dbraw/zinc/23/48/32/921234832.db2.gz LEIRRTCSXUWOBF-LJQANCHMSA-N 1 0 392.341 3.625 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCC3CCC(F)(F)CC3)CC2)cc1 ZINC001173425195 906461458 /nfs/dbraw/zinc/46/14/58/906461458.db2.gz QBOVWGDDRGUPBE-UHFFFAOYSA-N 1 0 375.463 3.968 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(n3c4ccccc4c4c3CC[C@H]([NH3+])C4)CC2)cc1 ZINC001173427400 906463383 /nfs/dbraw/zinc/46/33/83/906463383.db2.gz UFQIBDWKKSPXMX-IBGZPJMESA-N 1 0 398.510 3.806 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C(F)(F)F)o3)CC2)cc1 ZINC001173429161 906465133 /nfs/dbraw/zinc/46/51/33/906465133.db2.gz ROYHPMWKTYKDKV-UHFFFAOYSA-N 1 0 377.366 3.564 20 30 GHEDRO C[C@H]1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC[N@@H+]1C1CCCCC1 ZINC001173434939 906470230 /nfs/dbraw/zinc/47/02/30/906470230.db2.gz IPHAOOVQNDDLPH-IBGZPJMESA-N 1 0 394.563 3.502 20 30 GHEDRO CC[N@H+](Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434129 906470329 /nfs/dbraw/zinc/47/03/29/906470329.db2.gz FIVMNEHDBZUGFB-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](C3Cc4cc(F)c(F)cc4C3)CC2)C1 ZINC001173478092 906477682 /nfs/dbraw/zinc/47/76/82/906477682.db2.gz BPIRQCVAEOOUJX-UHFFFAOYSA-N 1 0 390.474 3.933 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)C1C(C)(C)C1(C)C ZINC000629107642 906515391 /nfs/dbraw/zinc/51/53/91/906515391.db2.gz JAUMXKWSLHWWIA-UHFFFAOYSA-N 1 0 390.597 3.836 20 30 GHEDRO CC1(C#N)CCC([NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)CC1 ZINC001173595077 906548935 /nfs/dbraw/zinc/54/89/35/906548935.db2.gz RAIDLWRSSNMMPV-UHFFFAOYSA-N 1 0 380.536 3.872 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCC3(C[C@H]3C(=O)OCC)CC1)C2 ZINC001173611809 906566025 /nfs/dbraw/zinc/56/60/25/906566025.db2.gz LSYPNNGHHXCDAW-JNCJJFRGSA-N 1 0 388.552 3.532 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CCCO)c2ccccc2)sc2c1CCCC2 ZINC000179730770 906577791 /nfs/dbraw/zinc/57/77/91/906577791.db2.gz BHGSAEMAUROYGP-IBGZPJMESA-N 1 0 397.544 3.931 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000179779987 906595325 /nfs/dbraw/zinc/59/53/25/906595325.db2.gz FZWBYOLDAAVOKN-UHFFFAOYSA-N 1 0 394.494 3.610 20 30 GHEDRO CCCCCCCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691705 906648074 /nfs/dbraw/zinc/64/80/74/906648074.db2.gz OJEFLZAUTNVYNU-UHFFFAOYSA-N 1 0 397.541 3.698 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180052166 906675488 /nfs/dbraw/zinc/67/54/88/906675488.db2.gz XTJRBDPTSMXZOU-ICSRJNTNSA-N 1 0 392.503 3.963 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000180095627 906687066 /nfs/dbraw/zinc/68/70/66/906687066.db2.gz JMNUWLDXNDQNRU-INIZCTEOSA-N 1 0 384.455 3.712 20 30 GHEDRO Cn1cc(C[NH2+]CCc2nc3c(s2)CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000180210936 906715987 /nfs/dbraw/zinc/71/59/87/906715987.db2.gz LQCUIKAWNILVDP-UHFFFAOYSA-N 1 0 377.517 3.626 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)CC1 ZINC000180287529 906738356 /nfs/dbraw/zinc/73/83/56/906738356.db2.gz PVBXGXCSYYCKOQ-UHFFFAOYSA-N 1 0 386.536 3.672 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180732210 906831341 /nfs/dbraw/zinc/83/13/41/906831341.db2.gz DATQYXKHSZTYJQ-UHFFFAOYSA-N 1 0 377.492 3.921 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC[C@H]1F ZINC001174743018 907186270 /nfs/dbraw/zinc/18/62/70/907186270.db2.gz WUSHQJDKZHJPPE-QZTJIDSGSA-N 1 0 375.488 3.925 20 30 GHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 ZINC000182523378 907221204 /nfs/dbraw/zinc/22/12/04/907221204.db2.gz QVUWUIXENMPWEY-SFHVURJKSA-N 1 0 392.503 3.859 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000182534813 907223416 /nfs/dbraw/zinc/22/34/16/907223416.db2.gz IZBRPJULLUUDAF-GOSISDBHSA-N 1 0 392.503 3.859 20 30 GHEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c(C)s1 ZINC000182988350 907309195 /nfs/dbraw/zinc/30/91/95/907309195.db2.gz BTUCNFFHTQPUPC-CQSZACIVSA-N 1 0 379.489 3.712 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOCC4(CCOCC4)C3)c2)c1 ZINC000183269638 907361241 /nfs/dbraw/zinc/36/12/41/907361241.db2.gz KDPYCXLMINTSFW-UHFFFAOYSA-N 1 0 392.499 3.766 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192093944 907401158 /nfs/dbraw/zinc/40/11/58/907401158.db2.gz PSVPWSQROZXFTP-UYAOXDASSA-N 1 0 387.842 3.799 20 30 GHEDRO CCCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000299448013 921335546 /nfs/dbraw/zinc/33/55/46/921335546.db2.gz YPISEDDGVOBMAS-SFHVURJKSA-N 1 0 380.492 3.946 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001175522361 907599299 /nfs/dbraw/zinc/59/92/99/907599299.db2.gz GARNUFPMEQMMPZ-HXUWFJFHSA-N 1 0 399.441 3.830 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2cc(Cl)c(Cl)cc2C#N)cc1 ZINC001175814507 907771345 /nfs/dbraw/zinc/77/13/45/907771345.db2.gz LUAWMNUCGIAERK-UHFFFAOYSA-N 1 0 377.275 3.900 20 30 GHEDRO C[N@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC001175955578 907863422 /nfs/dbraw/zinc/86/34/22/907863422.db2.gz NJWTUKJNDWXVSY-LJQANCHMSA-N 1 0 375.513 3.609 20 30 GHEDRO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001176554183 908174025 /nfs/dbraw/zinc/17/40/25/908174025.db2.gz AIHFCDVWYSLGEN-UHFFFAOYSA-N 1 0 393.915 3.717 20 30 GHEDRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001176579378 908183250 /nfs/dbraw/zinc/18/32/50/908183250.db2.gz SWMFJIPEFJKPJF-MRXNPFEDSA-N 1 0 397.469 3.763 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ncccc3OCCCC#N)C2)CC1 ZINC000188734256 908243156 /nfs/dbraw/zinc/24/31/56/908243156.db2.gz UNGORAYNMROTSA-LJQANCHMSA-N 1 0 399.539 3.740 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)Cc2cccnc2)c1C#N ZINC001176864916 908279832 /nfs/dbraw/zinc/27/98/32/908279832.db2.gz QKKCBTFHTXVEHO-INIZCTEOSA-N 1 0 387.487 3.520 20 30 GHEDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC001177532536 908622419 /nfs/dbraw/zinc/62/24/19/908622419.db2.gz PCHKREGXQFIRCY-SFHVURJKSA-N 1 0 377.488 3.551 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000191503292 908633793 /nfs/dbraw/zinc/63/37/93/908633793.db2.gz WAXQQXHZKIUSTP-IBGZPJMESA-N 1 0 386.584 3.934 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000192034198 908710422 /nfs/dbraw/zinc/71/04/22/908710422.db2.gz QLPPDQRMIMMWQJ-NXOUGTEYSA-N 1 0 387.867 3.868 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1C#N ZINC000192093316 908720469 /nfs/dbraw/zinc/72/04/69/908720469.db2.gz SZDBLESJCJLVQD-QQGDVQBRSA-N 1 0 387.842 3.798 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001177910237 908796321 /nfs/dbraw/zinc/79/63/21/908796321.db2.gz XQDWOOHBHZLGNS-JIWOIOHBSA-N 1 0 395.572 3.852 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCn2c3ccccc3[nH]c2=O)cc1OC ZINC001177967398 908817662 /nfs/dbraw/zinc/81/76/62/908817662.db2.gz GQRNPTIYMADOQM-UHFFFAOYSA-N 1 0 387.867 3.759 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccccc2OCC#N)cc1 ZINC000194159363 908860986 /nfs/dbraw/zinc/86/09/86/908860986.db2.gz CMBUIGPLVXTZKN-SFHVURJKSA-N 1 0 377.488 3.893 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000194423147 908881032 /nfs/dbraw/zinc/88/10/32/908881032.db2.gz PBLGHJAOJNXFPK-QFIPXVFZSA-N 1 0 388.515 3.754 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1OC ZINC001178108632 908887026 /nfs/dbraw/zinc/88/70/26/908887026.db2.gz FRJYKPUDFWHAFF-DYVFJYSZSA-N 1 0 395.341 3.595 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc4ncccc4c3)CC2)cc1 ZINC000194599438 908956094 /nfs/dbraw/zinc/95/60/94/908956094.db2.gz PWALNHWLDMMAFJ-UHFFFAOYSA-N 1 0 399.498 3.524 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC001178454092 909059756 /nfs/dbraw/zinc/05/97/56/909059756.db2.gz ABGDQTPCPMJXEZ-UHFFFAOYSA-N 1 0 398.304 3.750 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC#N)c1 ZINC000266430478 909152244 /nfs/dbraw/zinc/15/22/44/909152244.db2.gz XTAVMRRNAVFQFO-FQEVSTJZSA-N 1 0 392.503 3.965 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)CC1 ZINC000267031838 909371350 /nfs/dbraw/zinc/37/13/50/909371350.db2.gz BGNWKOYUXBPVTL-OAQYLSRUSA-N 1 0 378.520 3.626 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1OC ZINC000267406200 909485422 /nfs/dbraw/zinc/48/54/22/909485422.db2.gz HEBMYWKZQGIZHX-DENIHFKCSA-N 1 0 397.519 3.584 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179376616 909512900 /nfs/dbraw/zinc/51/29/00/909512900.db2.gz BZUHHCXXTZQVME-SFHVURJKSA-N 1 0 393.572 3.523 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H]2COc3cccc(Br)c3C2)cc1 ZINC001179429714 909521350 /nfs/dbraw/zinc/52/13/50/909521350.db2.gz HPVFXVIHEPIECH-INIZCTEOSA-N 1 0 386.289 3.945 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001179654784 909619836 /nfs/dbraw/zinc/61/98/36/909619836.db2.gz PHJVZFFCYHOLPY-RBUKOAKNSA-N 1 0 386.540 3.819 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)c1 ZINC000299614909 921512064 /nfs/dbraw/zinc/51/20/64/921512064.db2.gz IJOJZJQVXKMZJR-FQEVSTJZSA-N 1 0 383.879 3.596 20 30 GHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)ccc2NC1=O ZINC000245450102 909654524 /nfs/dbraw/zinc/65/45/24/909654524.db2.gz OHRNAINRPKRWEO-SXGZJXTBSA-N 1 0 379.460 3.938 20 30 GHEDRO CC#CC(=O)N(CC[NH+](CC)CC)[C@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001179751555 909712030 /nfs/dbraw/zinc/71/20/30/909712030.db2.gz HCMQXOFKOJLYHI-QFIPXVFZSA-N 1 0 386.536 3.511 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000245562737 909741824 /nfs/dbraw/zinc/74/18/24/909741824.db2.gz PGWDWLZGJFHXSU-HNAYVOBHSA-N 1 0 382.439 3.513 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC[C@@H]21 ZINC000268839014 910041630 /nfs/dbraw/zinc/04/16/30/910041630.db2.gz MUUYYIQGQBTLCQ-HKUYNNGSSA-N 1 0 395.532 3.554 20 30 GHEDRO C#CC[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000270451991 910571799 /nfs/dbraw/zinc/57/17/99/910571799.db2.gz SHDWQKQBSYBLDU-XMSQKQJNSA-N 1 0 376.504 3.671 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N2CCC[C@H](C#N)C2)C1 ZINC001181343457 910698426 /nfs/dbraw/zinc/69/84/26/910698426.db2.gz XFCYXIXSIDPUFB-FHLIZLRMSA-N 1 0 375.463 3.541 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246983480 910829793 /nfs/dbraw/zinc/82/97/93/910829793.db2.gz WAMJHNUZJDHEPA-IPHXSNPTSA-N 1 0 381.451 3.612 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)o2)cc1 ZINC000271432235 910903058 /nfs/dbraw/zinc/90/30/58/910903058.db2.gz UALDQJYKIOOFEP-SFHVURJKSA-N 1 0 384.443 3.623 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001182070751 911171119 /nfs/dbraw/zinc/17/11/19/911171119.db2.gz CHHILVZRTULTOP-UHFFFAOYSA-N 1 0 398.551 3.847 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000274473981 911343833 /nfs/dbraw/zinc/34/38/33/911343833.db2.gz YXBWBCBGFMVCGD-IBGZPJMESA-N 1 0 390.528 3.795 20 30 GHEDRO CC[C@@H]([NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000774135308 911438838 /nfs/dbraw/zinc/43/88/38/911438838.db2.gz QFQOWXGQEDIVMI-HXUWFJFHSA-N 1 0 386.540 3.542 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000774241296 911527114 /nfs/dbraw/zinc/52/71/14/911527114.db2.gz BTTMHPIIEGVUQC-NEWSRXKRSA-N 1 0 383.452 3.746 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1OCCCC#N ZINC000283822227 911660297 /nfs/dbraw/zinc/66/02/97/911660297.db2.gz CZFUDYHRCUOFRG-UHFFFAOYSA-N 1 0 377.391 3.664 20 30 GHEDRO CC#CCCCCCCCC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001182766878 912036138 /nfs/dbraw/zinc/03/61/38/912036138.db2.gz FQEJEONKGMMMBN-UHFFFAOYSA-N 1 0 384.568 3.618 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1 ZINC000303776480 915122578 /nfs/dbraw/zinc/12/25/78/915122578.db2.gz HUUNBVMNPLZZTA-OXQOHEQNSA-N 1 0 384.524 3.902 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000303785145 915127218 /nfs/dbraw/zinc/12/72/18/915127218.db2.gz QALJZMZXFQBVHV-UHFFFAOYSA-N 1 0 396.491 3.538 20 30 GHEDRO CCCCCCNC(=[NH2+])NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000303864304 915222886 /nfs/dbraw/zinc/22/28/86/915222886.db2.gz AVVWXDIEGGGSPG-UHFFFAOYSA-N 1 0 386.462 3.527 20 30 GHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000303912411 915288693 /nfs/dbraw/zinc/28/86/93/915288693.db2.gz UQJLQZQQFSTEOX-KRWDZBQOSA-N 1 0 381.476 3.685 20 30 GHEDRO COc1cc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1O ZINC000303896493 915302077 /nfs/dbraw/zinc/30/20/77/915302077.db2.gz UNJMBLDFQFPKQN-SNVBAGLBSA-N 1 0 398.290 3.882 20 30 GHEDRO CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c1 ZINC000303896843 915302096 /nfs/dbraw/zinc/30/20/96/915302096.db2.gz QGLRRHVKZJVJRB-HNNXBMFYSA-N 1 0 396.491 3.759 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000303969656 915343177 /nfs/dbraw/zinc/34/31/77/915343177.db2.gz BXDPRAYDDKUJBD-HXUWFJFHSA-N 1 0 386.927 3.703 20 30 GHEDRO CC[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)Oc1ccccc1Cl ZINC000304672528 915592388 /nfs/dbraw/zinc/59/23/88/915592388.db2.gz CIOMQYQDRVXRMU-AWEZNQCLSA-N 1 0 377.872 3.941 20 30 GHEDRO [NH2+]=C(NCc1cccnc1OCC(F)(F)F)Nc1cccc2c1CCCC2 ZINC000304711638 915634133 /nfs/dbraw/zinc/63/41/33/915634133.db2.gz YPNDGHUAGWDBDS-UHFFFAOYSA-N 1 0 378.398 3.828 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001188005658 915683714 /nfs/dbraw/zinc/68/37/14/915683714.db2.gz QOEAUDFOVKEVOS-GOSISDBHSA-N 1 0 398.617 3.790 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCOc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000304790796 915702505 /nfs/dbraw/zinc/70/25/05/915702505.db2.gz KLDGNJKTMJFNEK-UHFFFAOYSA-N 1 0 388.777 3.568 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCc2nc(C(F)(F)F)cs2)cc1Cl ZINC000304801336 915720758 /nfs/dbraw/zinc/72/07/58/915720758.db2.gz PAMMJFKXNUSNQE-UHFFFAOYSA-N 1 0 378.807 3.793 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2ccc(C(F)(F)F)[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001188512144 916025276 /nfs/dbraw/zinc/02/52/76/916025276.db2.gz HMUZBRGRCSGERO-WKILWMFISA-N 1 0 390.409 3.817 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@@H]21 ZINC001188676625 916103107 /nfs/dbraw/zinc/10/31/07/916103107.db2.gz UVEILQXDQXWXNW-ACIOBRDBSA-N 1 0 388.515 3.520 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(Br)ccc3F)C2)C1=O ZINC001275714265 916294631 /nfs/dbraw/zinc/29/46/31/916294631.db2.gz HFRUJQNJIFHTRF-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709890 916350623 /nfs/dbraw/zinc/35/06/23/916350623.db2.gz DPIHCNDUXVXBMI-CYBMUJFWSA-N 1 0 385.323 3.975 20 30 GHEDRO CN(C)C(NCc1ccccc1)=[NH+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000305813076 916452260 /nfs/dbraw/zinc/45/22/60/916452260.db2.gz KOECTGGZTXUQMR-UHFFFAOYSA-N 1 0 381.455 3.516 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001190216133 917201994 /nfs/dbraw/zinc/20/19/94/917201994.db2.gz DNNZYFJJJCTIOO-GMAHTHKFSA-N 1 0 394.490 3.922 20 30 GHEDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001190339456 917270337 /nfs/dbraw/zinc/27/03/37/917270337.db2.gz GVMOLUSFKFGFFS-RRFJBIMHSA-N 1 0 375.538 3.572 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC001190347878 917275909 /nfs/dbraw/zinc/27/59/09/917275909.db2.gz GBEDCYPPHVLZMR-MRXNPFEDSA-N 1 0 381.476 3.773 20 30 GHEDRO C#CC[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000775400565 917432357 /nfs/dbraw/zinc/43/23/57/917432357.db2.gz PSPAAJXVKDVKTN-LJQANCHMSA-N 1 0 376.481 3.703 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000775398888 917439016 /nfs/dbraw/zinc/43/90/16/917439016.db2.gz NEARIEAEXCCTSL-YDHSSHFGSA-N 1 0 391.515 3.593 20 30 GHEDRO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001190846913 917597673 /nfs/dbraw/zinc/59/76/73/917597673.db2.gz LCTOFTADEIJJLM-SFHVURJKSA-N 1 0 383.923 3.935 20 30 GHEDRO CCCCCCCCNC(=O)N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001191075276 917740931 /nfs/dbraw/zinc/74/09/31/917740931.db2.gz UUDXUCRIJUFNPP-HZCBDIJESA-N 1 0 392.632 3.985 20 30 GHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CC#CCN1C(=O)c2ccccc2C1=O ZINC001191193483 917813932 /nfs/dbraw/zinc/81/39/32/917813932.db2.gz MAASSKLNDFXWSJ-OAQYLSRUSA-N 1 0 388.511 3.938 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC001191610616 918097861 /nfs/dbraw/zinc/09/78/61/918097861.db2.gz MTRXBVKWDOFGNH-UHFFFAOYSA-N 1 0 383.451 3.695 20 30 GHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccc(F)cc2)c1 ZINC000296314917 918124009 /nfs/dbraw/zinc/12/40/09/918124009.db2.gz GNZRJEVFKMUVST-ZRCAFCQKSA-N 1 0 386.492 3.991 20 30 GHEDRO CCC[N@@H+]1CCc2c(N)sc(NC(=O)c3c(F)cc(C#N)cc3F)c2C1 ZINC001191907040 918265959 /nfs/dbraw/zinc/26/59/59/918265959.db2.gz HVFZROLUOOCQNU-UHFFFAOYSA-N 1 0 376.432 3.501 20 30 GHEDRO N#CC1(CC[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)CCCCC1 ZINC001192081652 918378140 /nfs/dbraw/zinc/37/81/40/918378140.db2.gz ZLPVEPYKPQSXBC-UHFFFAOYSA-N 1 0 379.504 3.859 20 30 GHEDRO C=CCCn1cc(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)nn1 ZINC000653706180 918433941 /nfs/dbraw/zinc/43/39/41/918433941.db2.gz VBBFEXCGXZDSPU-UHFFFAOYSA-N 1 0 378.879 3.528 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653710922 918439404 /nfs/dbraw/zinc/43/94/04/918439404.db2.gz FRGBQCLEEMLNGY-VQIMIIECSA-N 1 0 386.565 3.510 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)CC1 ZINC000296800871 918760582 /nfs/dbraw/zinc/76/05/82/918760582.db2.gz CPUCBTUNIKXAKF-KKSFZXQISA-N 1 0 384.524 3.610 20 30 GHEDRO COc1ccc(CNC(=S)C(C(=O)c2ccccc2)[n+]2ccccc2)cc1 ZINC000015247251 919369722 /nfs/dbraw/zinc/36/97/22/919369722.db2.gz CKIDROVLDZRMDV-UHFFFAOYSA-O 1 0 377.489 3.711 20 30 GHEDRO CCC[N@H+](CCOc1cccc(C#N)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114198007 919385029 /nfs/dbraw/zinc/38/50/29/919385029.db2.gz DTGIFYHSEZRQTG-UHFFFAOYSA-N 1 0 393.535 3.725 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000115432381 919452725 /nfs/dbraw/zinc/45/27/25/919452725.db2.gz PSVVERAGKBGCEJ-INIZCTEOSA-N 1 0 381.451 3.903 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)cc1 ZINC000297591343 919470211 /nfs/dbraw/zinc/47/02/11/919470211.db2.gz ZTBDAVWNZAGJEL-UHFFFAOYSA-N 1 0 384.505 3.556 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(C)(C)C ZINC000116128576 919498557 /nfs/dbraw/zinc/49/85/57/919498557.db2.gz MMESMJDQFCUYEF-HXUWFJFHSA-N 1 0 383.492 3.826 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cc1ccc(C#N)cc1 ZINC000116453230 919509668 /nfs/dbraw/zinc/50/96/68/919509668.db2.gz KMGHFQVDQYTKDD-JOCHJYFZSA-N 1 0 375.516 3.690 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298106409 920214540 /nfs/dbraw/zinc/21/45/40/920214540.db2.gz MNHQVLKNEWDSMZ-YJBOKZPZSA-N 1 0 396.457 3.861 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(C)c(Br)c3)CC2)C1=O ZINC001275964648 920319489 /nfs/dbraw/zinc/31/94/89/920319489.db2.gz NRYPLQFISXJPPH-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(F)cc3Br)C2)C1=O ZINC001275965172 920330042 /nfs/dbraw/zinc/33/00/42/920330042.db2.gz GRLIMKMDBMKDPV-GOSISDBHSA-N 1 0 381.289 3.589 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000800902272 920583746 /nfs/dbraw/zinc/58/37/46/920583746.db2.gz YQMVHTLMALDGBV-QGZVFWFLSA-N 1 0 383.879 3.748 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3ccc(Br)c(C)c3)CC2)C1=O ZINC001275978275 920657708 /nfs/dbraw/zinc/65/77/08/920657708.db2.gz SSCZSSRTFUKEBN-UHFFFAOYSA-N 1 0 377.326 3.758 20 30 GHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NCc2cccc(C#N)n2)cc1Cl ZINC000902085782 921868459 /nfs/dbraw/zinc/86/84/59/921868459.db2.gz IMBMBRJJIDQYAT-UHFFFAOYSA-N 1 0 399.926 3.680 20 30 GHEDRO COc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)cc1OCCCC#N ZINC000367230247 921989532 /nfs/dbraw/zinc/98/95/32/921989532.db2.gz IINJCDZNQGYJHZ-UHFFFAOYSA-N 1 0 390.487 3.830 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000802599503 922249333 /nfs/dbraw/zinc/24/93/33/922249333.db2.gz UUUFSTRJMYURNZ-SFHVURJKSA-N 1 0 390.535 3.908 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000802654240 922309973 /nfs/dbraw/zinc/30/99/73/922309973.db2.gz HKCAFAGFNBLZMD-QFIPXVFZSA-N 1 0 390.524 3.866 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc(C#N)c1 ZINC000902764835 922481885 /nfs/dbraw/zinc/48/18/85/922481885.db2.gz IWLZVWHQLCYDIY-FGZHOGPDSA-N 1 0 377.488 3.708 20 30 GHEDRO C[C@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1cc(C#N)ccn1 ZINC000902902659 922588334 /nfs/dbraw/zinc/58/83/34/922588334.db2.gz HPVVVCXNZZDXQZ-KRWDZBQOSA-N 1 0 377.492 3.941 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C12CCOCC2 ZINC000903139975 922802161 /nfs/dbraw/zinc/80/21/61/922802161.db2.gz XOCSFXQFXLOMDG-MOPGFXCFSA-N 1 0 397.519 3.599 20 30 GHEDRO N#CC[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000369213317 923208778 /nfs/dbraw/zinc/20/87/78/923208778.db2.gz FVOIFCOFQGSUIV-GGAORHGYSA-N 1 0 375.516 3.755 20 30 GHEDRO CN(Cc1cn2c(n1)CCCC2)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000369722918 923571902 /nfs/dbraw/zinc/57/19/02/923571902.db2.gz NSJFOJAQTMUUJF-UHFFFAOYSA-N 1 0 385.471 3.678 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000370213518 923960235 /nfs/dbraw/zinc/96/02/35/923960235.db2.gz AGDFEGQAYQILHI-UHFFFAOYSA-N 1 0 379.529 3.959 20 30 GHEDRO COc1cccc(O)c1/C=N/CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000749008296 923973786 /nfs/dbraw/zinc/97/37/86/923973786.db2.gz USMFUBZYOVLVJM-JJIBRWJFSA-N 1 0 382.504 3.891 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000409860817 925075426 /nfs/dbraw/zinc/07/54/26/925075426.db2.gz ROXIODTVPFLZRG-CZUORRHYSA-N 1 0 381.314 3.675 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(SC(F)(F)F)cc3)CC2)C1=O ZINC001276065776 925091228 /nfs/dbraw/zinc/09/12/28/925091228.db2.gz SFJRSJHYTPCHAT-UHFFFAOYSA-N 1 0 382.451 3.746 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000679373348 925113019 /nfs/dbraw/zinc/11/30/19/925113019.db2.gz MRLIZFMYJVBBPX-OAQYLSRUSA-N 1 0 381.520 3.932 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c(OC)c1 ZINC000679546620 925176316 /nfs/dbraw/zinc/17/63/16/925176316.db2.gz RGVCMHCUHXGVRW-BHYGNILZSA-N 1 0 387.442 3.826 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)C(C)C ZINC000827518930 925748573 /nfs/dbraw/zinc/74/85/73/925748573.db2.gz GPHIINHSINYCCG-HNNXBMFYSA-N 1 0 381.423 3.610 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c(OCCC)c(OC)c1)C1CCOCC1 ZINC000827575679 925824607 /nfs/dbraw/zinc/82/46/07/925824607.db2.gz SAODZWDCAFAOPT-QGZVFWFLSA-N 1 0 396.325 3.765 20 30 GHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000681591743 925854736 /nfs/dbraw/zinc/85/47/36/925854736.db2.gz LZTSNZPWPSNUIR-UHFFFAOYSA-N 1 0 383.517 3.508 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C[C@H]3CCOC3)C3CC3)sc2C1 ZINC000411160558 926149614 /nfs/dbraw/zinc/14/96/14/926149614.db2.gz AIVUXCMVPFFKFH-HUUCEWRRSA-N 1 0 387.549 3.574 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133523007 926303293 /nfs/dbraw/zinc/30/32/93/926303293.db2.gz JBAUTPJNSZCZRL-NHCUHLMSSA-N 1 0 385.471 3.608 20 30 GHEDRO CCC[N@H+](C[C@H]1CCCCO1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000411364239 926332321 /nfs/dbraw/zinc/33/23/21/926332321.db2.gz FLHPINRQXVIZQI-RTBURBONSA-N 1 0 387.524 3.611 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000411451847 926412710 /nfs/dbraw/zinc/41/27/10/926412710.db2.gz AIGYYMHHSLIJGU-UWJYYQICSA-N 1 0 383.879 3.908 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)cc1 ZINC000411466332 926423802 /nfs/dbraw/zinc/42/38/02/926423802.db2.gz RESNZNOVQVDDQX-INIZCTEOSA-N 1 0 383.517 3.976 20 30 GHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000411470388 926429416 /nfs/dbraw/zinc/42/94/16/926429416.db2.gz CANYAGKIGOZPPM-OPAMFIHVSA-N 1 0 385.471 3.509 20 30 GHEDRO CC(C)(C)[C@H]([NH2+]CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)c1ccccc1 ZINC000725766569 926430237 /nfs/dbraw/zinc/43/02/37/926430237.db2.gz MIYDDGYBPNDKDA-XXBNENTESA-N 1 0 390.487 3.660 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1c(C)nn(C)c1C ZINC000411520253 926483334 /nfs/dbraw/zinc/48/33/34/926483334.db2.gz VDBSZWLPZHJIDP-MRXNPFEDSA-N 1 0 385.537 3.528 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000373861302 926502078 /nfs/dbraw/zinc/50/20/78/926502078.db2.gz XXOMXHXFWQYWQV-QFIPXVFZSA-N 1 0 391.515 3.548 20 30 GHEDRO Cc1ccc2c(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c[nH]c2c1 ZINC000726157081 926574303 /nfs/dbraw/zinc/57/43/03/926574303.db2.gz JKNDVPZHJIXNSL-UHFFFAOYSA-N 1 0 386.499 3.625 20 30 GHEDRO C#Cc1cccc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c1 ZINC000726277765 926617200 /nfs/dbraw/zinc/61/72/00/926617200.db2.gz DYKUPARJEYBZTJ-KRWDZBQOSA-N 1 0 394.494 3.832 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccncc1F ZINC000411695182 926656691 /nfs/dbraw/zinc/65/66/91/926656691.db2.gz OORYNUKJOCINLV-QWHCGFSZSA-N 1 0 386.496 3.958 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000411715622 926674628 /nfs/dbraw/zinc/67/46/28/926674628.db2.gz CRWCJTHESPPNPO-GOSISDBHSA-N 1 0 392.286 3.907 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C12CCCC2 ZINC000411721910 926695128 /nfs/dbraw/zinc/69/51/28/926695128.db2.gz PQLMBEZZGNVASJ-QZTJIDSGSA-N 1 0 387.549 3.764 20 30 GHEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000374216205 926905551 /nfs/dbraw/zinc/90/55/51/926905551.db2.gz GDFAHAKAZVLZFH-BHIFYINESA-N 1 0 388.515 3.679 20 30 GHEDRO N#Cc1c(NC(=O)CN2C[C@H](O)C[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943027 926927919 /nfs/dbraw/zinc/92/79/19/926927919.db2.gz MLOCRPORKJERRB-APWZRJJASA-N 1 0 395.528 3.635 20 30 GHEDRO N#Cc1c(NC(=O)CN2C[C@@H](O)C[C@@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943036 926928584 /nfs/dbraw/zinc/92/85/84/926928584.db2.gz MLOCRPORKJERRB-QFBILLFUSA-N 1 0 395.528 3.635 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CC1 ZINC000411970930 926955393 /nfs/dbraw/zinc/95/53/93/926955393.db2.gz NYHZTJIYTXJDAA-AVYPCKFXSA-N 1 0 375.538 3.813 20 30 GHEDRO N#Cc1ccc(OCCC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000749251196 927017335 /nfs/dbraw/zinc/01/73/35/927017335.db2.gz XBNSLVXOJHDEEJ-UHFFFAOYSA-N 1 0 388.471 3.550 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000749442338 927105529 /nfs/dbraw/zinc/10/55/29/927105529.db2.gz XQYSSLITFUNXJW-IBGZPJMESA-N 1 0 390.487 3.647 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412336720 927347800 /nfs/dbraw/zinc/34/78/00/927347800.db2.gz LKGZDYOUNMJTOL-HXUWFJFHSA-N 1 0 390.597 3.586 20 30 GHEDRO C[C@H](Cc1cccc(F)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374883701 927651418 /nfs/dbraw/zinc/65/14/18/927651418.db2.gz YZBHEJJFAKVHNA-GOSISDBHSA-N 1 0 379.479 3.679 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3ccnc(Br)c3)CC2)C1=O ZINC001276212888 927661829 /nfs/dbraw/zinc/66/18/29/927661829.db2.gz KZWSLWUHLSTPFB-IBGZPJMESA-N 1 0 392.341 3.625 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000374898473 927671343 /nfs/dbraw/zinc/67/13/43/927671343.db2.gz TZJGINLFQANCII-SFTDATJTSA-N 1 0 377.463 3.604 20 30 GHEDRO N#CC1(NC(=O)C/C=C/c2ccccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000374901156 927675261 /nfs/dbraw/zinc/67/52/61/927675261.db2.gz WAYVRBJGFCQHIY-UXBLZVDNSA-N 1 0 377.463 3.904 20 30 GHEDRO C=CCc1ccc(OCC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c(OC)c1 ZINC000750578822 927729023 /nfs/dbraw/zinc/72/90/23/927729023.db2.gz ABVVRGRHPHUGQT-UHFFFAOYSA-N 1 0 382.504 3.523 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3cccs3)o2)c1 ZINC000750834724 927883803 /nfs/dbraw/zinc/88/38/03/927883803.db2.gz BVPUFFJSELTVQE-IAGOWNOFSA-N 1 0 380.473 3.758 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC2(CCOCC2)[C@H]1C(C)C)C(C)C ZINC000413122219 928231861 /nfs/dbraw/zinc/23/18/61/928231861.db2.gz YWFDLUPRLGSPMG-VQTJNVASSA-N 1 0 377.573 3.532 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000413259698 928372712 /nfs/dbraw/zinc/37/27/12/928372712.db2.gz QPCXBFWYFFOJTB-OAQYLSRUSA-N 1 0 399.579 3.897 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)C1(CC)CC ZINC000751960027 928513576 /nfs/dbraw/zinc/51/35/76/928513576.db2.gz SAEUURFMUORRFA-WOJBJXKFSA-N 1 0 381.524 3.998 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752255650 928716025 /nfs/dbraw/zinc/71/60/25/928716025.db2.gz UTIUABWEUBEALF-UHFFFAOYSA-N 1 0 387.499 3.958 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](CC(C)C)C2)c1C#N ZINC000467167104 928780582 /nfs/dbraw/zinc/78/05/82/928780582.db2.gz AHJMMTIKEWIEMT-SFHVURJKSA-N 1 0 382.508 3.924 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(Cc3ccccc3)CCCCC2)c1 ZINC000467190243 928806548 /nfs/dbraw/zinc/80/65/48/928806548.db2.gz FJMBOXPYHMTROH-UHFFFAOYSA-N 1 0 382.529 3.867 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](CCCc3cccc(Br)c3)C2)C1=O ZINC001276274447 929120028 /nfs/dbraw/zinc/12/00/28/929120028.db2.gz KNLFGJYXLURVJN-HXUWFJFHSA-N 1 0 391.353 3.882 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)Cc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000753148615 929228456 /nfs/dbraw/zinc/22/84/56/929228456.db2.gz FZKFXGHPFQKEBG-KNQAVFIVSA-N 1 0 391.515 3.548 20 30 GHEDRO COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)ccc1OCc1cccs1 ZINC000753932927 929599528 /nfs/dbraw/zinc/59/95/28/929599528.db2.gz BNORATQMWOMJNW-IAGOWNOFSA-N 1 0 384.505 3.530 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)cc1 ZINC000469162131 929642452 /nfs/dbraw/zinc/64/24/52/929642452.db2.gz MEWWHNOEMYXMNN-UHFFFAOYSA-N 1 0 398.466 3.802 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000757606442 929741956 /nfs/dbraw/zinc/74/19/56/929741956.db2.gz PWJFQFFRXOPFQT-YADHBBJMSA-N 1 0 391.515 3.896 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000469288276 929764296 /nfs/dbraw/zinc/76/42/96/929764296.db2.gz HRQWBSYKUHDJEC-SJORKVTESA-N 1 0 390.487 3.540 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000469371130 929828176 /nfs/dbraw/zinc/82/81/76/929828176.db2.gz JSFDMZKETDBENH-JBYIUTFZSA-N 1 0 377.488 3.819 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000469382502 929836269 /nfs/dbraw/zinc/83/62/69/929836269.db2.gz YCDXOIFDMKOAAV-DHIUTWEWSA-N 1 0 384.564 3.819 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000758509573 930066516 /nfs/dbraw/zinc/06/65/16/930066516.db2.gz HQIDIXPYMVQLJS-UHFFFAOYSA-N 1 0 392.547 3.696 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000758800015 930171052 /nfs/dbraw/zinc/17/10/52/930171052.db2.gz SGGZQEWIHBEIIS-BAGYTPMASA-N 1 0 392.503 3.612 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469884381 930234793 /nfs/dbraw/zinc/23/47/93/930234793.db2.gz NDLQSWXSPZXNSC-ZMSDIMECSA-N 1 0 395.341 3.582 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000759049319 930256571 /nfs/dbraw/zinc/25/65/71/930256571.db2.gz GUYBIACQCSEMAZ-UHFFFAOYSA-O 1 0 393.532 3.686 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@H](C[NH2+]C)C2)cc1OCC ZINC000470022064 930322079 /nfs/dbraw/zinc/32/20/79/930322079.db2.gz GLHJFYHJZMTZLY-OAHLLOKOSA-N 1 0 397.357 3.844 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546708097 930372208 /nfs/dbraw/zinc/37/22/08/930372208.db2.gz UPKIDMJXWBBWHQ-QFBILLFUSA-N 1 0 378.476 3.599 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000759695761 930456352 /nfs/dbraw/zinc/45/63/52/930456352.db2.gz CELXMYCJYFMEAZ-UHFFFAOYSA-N 1 0 381.461 3.644 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1[NH+](C)C ZINC000546837671 930473976 /nfs/dbraw/zinc/47/39/76/930473976.db2.gz ITUBRHWAAYNPBQ-WOJBJXKFSA-N 1 0 396.516 3.860 20 30 GHEDRO C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1=CC[N@H+](C)CC1 ZINC000781375287 930821531 /nfs/dbraw/zinc/82/15/31/930821531.db2.gz OGPKWEWBMYDEGH-OAHLLOKOSA-N 1 0 380.517 3.736 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+](CCCO)[C@@H]3CCCc4ccccc43)o2)c1 ZINC000471046533 931116392 /nfs/dbraw/zinc/11/63/92/931116392.db2.gz GZOSSGBIUPIQMF-OAQYLSRUSA-N 1 0 388.471 3.870 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cn2ccccc2n1 ZINC000924571091 931425282 /nfs/dbraw/zinc/42/52/82/931425282.db2.gz SNDJKUILOPQENL-QGZVFWFLSA-N 1 0 397.523 3.743 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000924762858 931528642 /nfs/dbraw/zinc/52/86/42/931528642.db2.gz BTNSXCPZZUETKS-FFZOFVMBSA-N 1 0 399.535 3.554 20 30 GHEDRO Cc1c(Cl)cnc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c1C#N ZINC000784148392 931798173 /nfs/dbraw/zinc/79/81/73/931798173.db2.gz XZWSKHUMUILBNA-UHFFFAOYSA-N 1 0 377.879 3.786 20 30 GHEDRO N#CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000784329884 931858049 /nfs/dbraw/zinc/85/80/49/931858049.db2.gz ZTVZYMXOPIHHAI-ILWGZMRPSA-N 1 0 389.499 3.619 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925904722 931951056 /nfs/dbraw/zinc/95/10/56/931951056.db2.gz RHOMWNSHSYELEM-JOCHJYFZSA-N 1 0 393.535 3.814 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000926115094 932054358 /nfs/dbraw/zinc/05/43/58/932054358.db2.gz RTDWXRDSUMVMAN-KURKYZTESA-N 1 0 379.545 3.711 20 30 GHEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926125187 932057122 /nfs/dbraw/zinc/05/71/22/932057122.db2.gz WQXFEARMLUILMC-KCJUWKMLSA-N 1 0 387.299 3.896 20 30 GHEDRO COCCC(C)(C)C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926169046 932069252 /nfs/dbraw/zinc/06/92/52/932069252.db2.gz XDSFXZZTQLURRD-QGZVFWFLSA-N 1 0 381.561 3.958 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)ccc1OC ZINC000796824072 932080919 /nfs/dbraw/zinc/08/09/19/932080919.db2.gz DTBHHNWEDWFSKZ-YOEHRIQHSA-N 1 0 395.459 3.558 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000796919702 932109786 /nfs/dbraw/zinc/10/97/86/932109786.db2.gz SQUUWKVWFSDWHK-UHFFFAOYSA-N 1 0 378.520 3.970 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000558660085 932146522 /nfs/dbraw/zinc/14/65/22/932146522.db2.gz DDKFZIHJHZHRIR-GOSISDBHSA-N 1 0 392.551 3.835 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCSc3ccccc32)c(OC)c1 ZINC000558750939 932211358 /nfs/dbraw/zinc/21/13/58/932211358.db2.gz WVEHOIFIHZABDL-MJGOQNOKSA-N 1 0 385.529 3.990 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927158755 932436226 /nfs/dbraw/zinc/43/62/26/932436226.db2.gz JCUINKKENGVHIX-MSOLQXFVSA-N 1 0 391.556 3.997 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c(O)c1 ZINC000798343263 932606546 /nfs/dbraw/zinc/60/65/46/932606546.db2.gz BICSIGXCUCMRJI-MGZYVRGMSA-N 1 0 379.504 3.847 20 30 GHEDRO C[C@@]1(CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798483733 932666193 /nfs/dbraw/zinc/66/61/93/932666193.db2.gz LHMFEMFAIBUZRJ-QHCPKHFHSA-N 1 0 388.515 3.759 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000799121164 932882168 /nfs/dbraw/zinc/88/21/68/932882168.db2.gz QFLLEBPPAOGLTQ-QZTJIDSGSA-N 1 0 379.545 3.855 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)ccc1F ZINC000560021073 933022213 /nfs/dbraw/zinc/02/22/13/933022213.db2.gz XJGOUFYLMJSGEG-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000777733755 933200976 /nfs/dbraw/zinc/20/09/76/933200976.db2.gz YJXRLWWREGIHEG-UHFFFAOYSA-N 1 0 398.938 3.890 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000560492395 933288682 /nfs/dbraw/zinc/28/86/82/933288682.db2.gz MQIRYJFOZTWMMK-UHFFFAOYSA-N 1 0 379.479 3.932 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001116053664 933308726 /nfs/dbraw/zinc/30/87/26/933308726.db2.gz XVUZZTGZOWUCLP-QGZVFWFLSA-N 1 0 394.544 3.942 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3c(F)cccc3C#N)cc2)C1 ZINC000560551757 933336858 /nfs/dbraw/zinc/33/68/58/933336858.db2.gz OCBTWZFOLGNTDF-INIZCTEOSA-N 1 0 381.451 3.599 20 30 GHEDRO C#CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001116386993 933528212 /nfs/dbraw/zinc/52/82/12/933528212.db2.gz SJRCNCHJFKMBJR-QHCPKHFHSA-N 1 0 375.516 3.977 20 30 GHEDRO C[C@H](CN1CCOCC1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000929607851 933539172 /nfs/dbraw/zinc/53/91/72/933539172.db2.gz CSFZARZITMPYJN-XMSQKQJNSA-N 1 0 392.503 3.526 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001116705109 933714802 /nfs/dbraw/zinc/71/48/02/933714802.db2.gz XOCCDTORLBMWOA-UTCTYZAISA-N 1 0 395.934 3.927 20 30 GHEDRO N#CC1(CCCCN2CC[N@H+](CCCCC3(C#N)CCC3)CC(O)C2)CCC1 ZINC000930098655 933831720 /nfs/dbraw/zinc/83/17/20/933831720.db2.gz SODIMQUWAMOXJO-UHFFFAOYSA-N 1 0 386.584 3.693 20 30 GHEDRO CC(C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[NH+]1CCCCC1 ZINC000561306784 934040117 /nfs/dbraw/zinc/04/01/17/934040117.db2.gz PFVLLMNLPNWAAW-OAQYLSRUSA-N 1 0 387.499 3.578 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCc2cccc(OCC(F)(F)F)c2)c1 ZINC001118156126 934098790 /nfs/dbraw/zinc/09/87/90/934098790.db2.gz REGYKLVPOWDUPS-UHFFFAOYSA-N 1 0 391.393 3.660 20 30 GHEDRO N#CC1CCC(C[N@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000930971091 934319389 /nfs/dbraw/zinc/31/93/89/934319389.db2.gz LLDDESMQFXZJHD-FOIPXRHGSA-N 1 0 385.474 3.972 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001120502846 934468140 /nfs/dbraw/zinc/46/81/40/934468140.db2.gz GEDUGCADPXGRGV-UHFFFAOYSA-N 1 0 394.494 3.589 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000931549629 934610027 /nfs/dbraw/zinc/61/00/27/934610027.db2.gz NQLTWGPCTHRSGT-UHFFFAOYSA-N 1 0 378.476 3.527 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Cc4ccccc4F)CC3)C2=O)cc1 ZINC000562046231 934656754 /nfs/dbraw/zinc/65/67/54/934656754.db2.gz CQGOYSNQOWIPIL-JOCHJYFZSA-N 1 0 377.463 3.757 20 30 GHEDRO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001121589894 934709086 /nfs/dbraw/zinc/70/90/86/934709086.db2.gz JVOPTSTYWGRMOI-BPQIPLTHSA-N 1 0 391.510 3.820 20 30 GHEDRO C=CCn1c(CCCC#N)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001121626902 934718776 /nfs/dbraw/zinc/71/87/76/934718776.db2.gz WALRZNHTIHFXCU-UHFFFAOYSA-N 1 0 398.942 3.676 20 30 GHEDRO C=CCn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001121651210 934726611 /nfs/dbraw/zinc/72/66/11/934726611.db2.gz SLJYTYWHDMMPOT-QFIPXVFZSA-N 1 0 382.556 3.500 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001121681594 934737015 /nfs/dbraw/zinc/73/70/15/934737015.db2.gz CIBHPVFIGTYZAM-YQVWRLOYSA-N 1 0 387.572 3.793 20 30 GHEDRO C=CCn1c([C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnc1N(C)Cc1ccco1 ZINC001121690296 934740557 /nfs/dbraw/zinc/74/05/57/934740557.db2.gz NGRLTWCSRLNDDT-VQTJNVASSA-N 1 0 377.492 3.506 20 30 GHEDRO CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001121813508 934770969 /nfs/dbraw/zinc/77/09/69/934770969.db2.gz PRNOVGZCWUZIEF-DHIUTWEWSA-N 1 0 392.551 3.592 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCCOC2)O1 ZINC000562316258 934818534 /nfs/dbraw/zinc/81/85/34/934818534.db2.gz XXHYPTCSKHYNEF-NTKDMRAZSA-N 1 0 392.499 3.907 20 30 GHEDRO N#Cc1nnc2ccccc2c1NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000562362147 934836771 /nfs/dbraw/zinc/83/67/71/934836771.db2.gz RDVGQQHCISWKKI-KRWDZBQOSA-N 1 0 375.501 3.531 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@@H](C)O)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001122434969 934868785 /nfs/dbraw/zinc/86/87/85/934868785.db2.gz LURDROMCVSNWCX-RTBURBONSA-N 1 0 397.567 3.743 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001122525786 934889897 /nfs/dbraw/zinc/88/98/97/934889897.db2.gz LDOZAKSEPNYGJK-SFHVURJKSA-N 1 0 398.580 3.688 20 30 GHEDRO C=C(C)Cn1c([C@H](O)/C=C/CC)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001122539936 934894097 /nfs/dbraw/zinc/89/40/97/934894097.db2.gz PEALJHOSTKMKLL-ZAOIQFLMSA-N 1 0 387.572 3.699 20 30 GHEDRO C=C(C)Cn1c(CCCC#N)nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001122554490 934898659 /nfs/dbraw/zinc/89/86/59/934898659.db2.gz DIUKYDXQDVCIRF-UHFFFAOYSA-N 1 0 384.572 3.935 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001122602808 934916033 /nfs/dbraw/zinc/91/60/33/934916033.db2.gz XKODTUSZLNLJBN-WOJBJXKFSA-N 1 0 395.551 3.666 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001122620930 934923270 /nfs/dbraw/zinc/92/32/70/934923270.db2.gz MHLNLQYRRQBXRO-XUVXKRRUSA-N 1 0 392.551 3.585 20 30 GHEDRO CCC(C#N)(CC)c1nnc(Nc2cnn(C3CC[NH+](C)CC3)c2)n1CC(C)C ZINC001122841693 935005880 /nfs/dbraw/zinc/00/58/80/935005880.db2.gz OKMXGKWHYIHJFN-UHFFFAOYSA-N 1 0 398.559 3.722 20 30 GHEDRO CN1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 ZINC001123035786 935063130 /nfs/dbraw/zinc/06/31/30/935063130.db2.gz YNFSJDWGGIGOES-QGZVFWFLSA-N 1 0 384.553 3.675 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(C2CCCCC2)CC1 ZINC000828432787 935632491 /nfs/dbraw/zinc/63/24/91/935632491.db2.gz ZACWUXWJUBLPOT-RTWAWAEBSA-N 1 0 399.583 3.797 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c(C#N)c1 ZINC001137700850 935732231 /nfs/dbraw/zinc/73/22/31/935732231.db2.gz ATLFZVMGKPHXMI-GOTSBHOMSA-N 1 0 377.488 3.574 20 30 GHEDRO COc1ccc(CN2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c1 ZINC001137701930 935732875 /nfs/dbraw/zinc/73/28/75/935732875.db2.gz FLLBHKKMXOFXMH-QHCPKHFHSA-N 1 0 379.479 3.946 20 30 GHEDRO N#Cc1nc2ccc(OC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2s1 ZINC001226673086 1032069011 /nfs/dbraw/zinc/06/90/11/1032069011.db2.gz YBRUOXOMOULVCP-SFHVURJKSA-N 1 0 379.485 3.838 20 30 GHEDRO CC(C)(C)C[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)cc2Br)C1 ZINC001201134955 1014988135 /nfs/dbraw/zinc/98/81/35/1014988135.db2.gz QULAUUPGHIQSKJ-ZDUSSCGKSA-N 1 0 395.370 3.728 20 30 GHEDRO C#CCN(C(=O)NCc1cccc(Oc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001220776947 1032115479 /nfs/dbraw/zinc/11/54/79/1032115479.db2.gz YMPIDDUJBKATPZ-UHFFFAOYSA-N 1 0 377.488 3.718 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(O)c1)CC2 ZINC001277155186 1032128305 /nfs/dbraw/zinc/12/83/05/1032128305.db2.gz PYHFCWRIOLVYNP-UHFFFAOYSA-N 1 0 375.900 3.554 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468831861 1016084265 /nfs/dbraw/zinc/08/42/65/1016084265.db2.gz DDKBPLZUFHDJMG-UHFFFAOYSA-N 1 0 392.434 3.556 20 30 GHEDRO CN(Cc1cc(F)ccc1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000468872495 1016149218 /nfs/dbraw/zinc/14/92/18/1016149218.db2.gz HALXCKSQUOUQBI-INIZCTEOSA-N 1 0 382.357 3.588 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000546711183 1016724658 /nfs/dbraw/zinc/72/46/58/1016724658.db2.gz HVJJCUJLBBBVTF-VQIMIIECSA-N 1 0 378.476 3.741 20 30 GHEDRO N#Cc1ccc(-c2ccc(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)cc2)cc1F ZINC001221400691 1032397957 /nfs/dbraw/zinc/39/79/57/1032397957.db2.gz PREBCXIGIGQBNK-QFIPXVFZSA-N 1 0 385.442 3.809 20 30 GHEDRO C=CCN1CCN(C(=O)c2cnc3cc(NC(=O)OC(C)(C)C)ccc3c2)CC1 ZINC001155087878 1032407423 /nfs/dbraw/zinc/40/74/23/1032407423.db2.gz DNVTZKHVQQQLLR-UHFFFAOYSA-N 1 0 396.491 3.526 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)c(OC(C)C)c(Cl)c3)C2)C1=O ZINC001277207812 1032416045 /nfs/dbraw/zinc/41/60/45/1032416045.db2.gz QKMBUVCKBGJFSW-FQEVSTJZSA-N 1 0 380.891 3.877 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001155305791 1032495055 /nfs/dbraw/zinc/49/50/55/1032495055.db2.gz FGBIEVPYRCJROF-OAHLLOKOSA-N 1 0 377.835 3.815 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155377257 1032525693 /nfs/dbraw/zinc/52/56/93/1032525693.db2.gz BQFGZDDZWKKHLP-LJQANCHMSA-N 1 0 380.467 3.720 20 30 GHEDRO COC(=O)c1cc(C[NH2+]CCSCc2ccccc2C#N)n2c1CCCC2 ZINC001461005995 1069331383 /nfs/dbraw/zinc/33/13/83/1069331383.db2.gz DILYOCTWWDCCLK-UHFFFAOYSA-N 1 0 383.517 3.506 20 30 GHEDRO Cc1nc(O[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828569 1032637556 /nfs/dbraw/zinc/63/75/56/1032637556.db2.gz RZIBFUGCBXHJKD-LPHOPBHVSA-N 1 0 385.895 3.892 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926019759 1017199183 /nfs/dbraw/zinc/19/91/83/1017199183.db2.gz PQBJACSOKPSHBR-QGZVFWFLSA-N 1 0 378.476 3.648 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000558740725 1017277028 /nfs/dbraw/zinc/27/70/28/1017277028.db2.gz CULSHMYNFSDNPH-ZDUSSCGKSA-N 1 0 376.287 3.875 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CCC)CC1 ZINC000558995946 1017332639 /nfs/dbraw/zinc/33/26/39/1017332639.db2.gz TXHLQWRNDKPUCX-QGZVFWFLSA-N 1 0 387.503 3.665 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)c1 ZINC000560174560 1017564670 /nfs/dbraw/zinc/56/46/70/1017564670.db2.gz LISPHMIDHFGMMQ-OAHLLOKOSA-N 1 0 377.271 3.884 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cc(F)c(OC)c(Cl)c3)CC2)C1=O ZINC001276455003 1032719020 /nfs/dbraw/zinc/71/90/20/1032719020.db2.gz BLUFHEZNVQQDLF-UHFFFAOYSA-N 1 0 380.891 3.878 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4c[nH]c5ncccc45)C3)o2)c1 ZINC000931367833 1017965150 /nfs/dbraw/zinc/96/51/50/1017965150.db2.gz HCPRALMZTQDBGA-QGZVFWFLSA-N 1 0 384.443 3.864 20 30 GHEDRO Cc1sc(NC(=O)C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c(C#N)c1C ZINC000561910160 1017977674 /nfs/dbraw/zinc/97/76/74/1017977674.db2.gz NBGYWBBZUFJGFY-GJZGRUSLSA-N 1 0 385.533 3.662 20 30 GHEDRO C[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562367657 1018125938 /nfs/dbraw/zinc/12/59/38/1018125938.db2.gz JNZIOZPJHQSPGD-HIFRSBDPSA-N 1 0 395.528 3.678 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001204303079 1032745557 /nfs/dbraw/zinc/74/55/57/1032745557.db2.gz ZFQOSKRXBWKEAQ-MRXNPFEDSA-N 1 0 379.382 3.714 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCN(c3cccc(OCCOC)c3)CC2)cc1 ZINC001204302496 1032745722 /nfs/dbraw/zinc/74/57/22/1032745722.db2.gz KLVZYCWDFRZIBZ-UHFFFAOYSA-N 1 0 382.504 3.599 20 30 GHEDRO N#CC(CCN1CCOC[C@H]1[C@H]1CCCC1=O)(c1ccccc1)c1ccccc1 ZINC000562471272 1018187049 /nfs/dbraw/zinc/18/70/49/1018187049.db2.gz OXRKZKZNDGITPD-PKTZIBPZSA-N 1 0 388.511 3.956 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000932420780 1018285894 /nfs/dbraw/zinc/28/58/94/1018285894.db2.gz HJNSYRGAJFSRML-LJQANCHMSA-N 1 0 395.532 3.568 20 30 GHEDRO N#CCCc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000932576415 1018478801 /nfs/dbraw/zinc/47/88/01/1018478801.db2.gz AACHHTCDKPJLEJ-NRFANRHFSA-N 1 0 376.504 3.829 20 30 GHEDRO C/C(=C/c1ccc(F)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000778114745 1018616283 /nfs/dbraw/zinc/61/62/83/1018616283.db2.gz UFNZGODGBBLWRD-SDXDJHTJSA-N 1 0 377.463 3.904 20 30 GHEDRO N#CC[C@@H](NC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)C(F)(F)F ZINC000932890918 1018736606 /nfs/dbraw/zinc/73/66/06/1018736606.db2.gz QLXNYWMWQMLZJW-QGZVFWFLSA-N 1 0 394.441 3.628 20 30 GHEDRO N#CC[C@@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(F)(F)F ZINC000932901097 1018742697 /nfs/dbraw/zinc/74/26/97/1018742697.db2.gz ZDQFSLQPYWGUEU-QGZVFWFLSA-N 1 0 394.441 3.529 20 30 GHEDRO FC1(F)[C@H]2C[NH+](CCc3cncs3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941358 1018769384 /nfs/dbraw/zinc/76/93/84/1018769384.db2.gz BIQHXGJWNHZEBS-IUCAKERBSA-N 1 0 380.304 3.788 20 30 GHEDRO CC1(C)OC[C@@H](CC[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 ZINC000932945523 1018778068 /nfs/dbraw/zinc/77/80/68/1018778068.db2.gz YWTARCJOYSMDSA-BBBLOLIVSA-N 1 0 397.306 3.631 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000933072067 1018831697 /nfs/dbraw/zinc/83/16/97/1018831697.db2.gz FDFWLYWHMKXTBE-XLIONFOSSA-N 1 0 379.508 3.703 20 30 GHEDRO CC1CC[NH+](Cc2ccc(NS(=O)(=O)Cc3ccc(CC#N)cc3)cc2)CC1 ZINC000564973218 1019133581 /nfs/dbraw/zinc/13/35/81/1019133581.db2.gz WDYNYCFVYKSPJC-UHFFFAOYSA-N 1 0 397.544 3.926 20 30 GHEDRO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)cc1N(C)C ZINC000568965386 1019454805 /nfs/dbraw/zinc/45/48/05/1019454805.db2.gz HYISEMYERIRJRB-IAGOWNOFSA-N 1 0 383.540 3.707 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000569458710 1019491745 /nfs/dbraw/zinc/49/17/45/1019491745.db2.gz GUSBDGUPXDZHQD-SFHVURJKSA-N 1 0 377.326 3.636 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c(-c2ccccc2)n1 ZINC000572498185 1019781715 /nfs/dbraw/zinc/78/17/15/1019781715.db2.gz LKXYWVUPXMQXHT-FQEVSTJZSA-N 1 0 376.435 3.696 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[NH2+]C[C@H]3c3cccs3)nn2)cc1 ZINC001156088747 1032871538 /nfs/dbraw/zinc/87/15/38/1032871538.db2.gz BFZBSHDBQDJKDW-HKUYNNGSSA-N 1 0 375.501 3.653 20 30 GHEDRO CCOC(=O)C[C@@H](CC#N)Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001228374836 1032910290 /nfs/dbraw/zinc/91/02/90/1032910290.db2.gz RFHDCCOLZDBQOV-GOSISDBHSA-N 1 0 381.476 3.835 20 30 GHEDRO C#CC[N@@H+](CCC1(NC(=O)OC(C)(C)C)CCOCC1)Cc1ccc(F)cc1 ZINC001204489990 1032922436 /nfs/dbraw/zinc/92/24/36/1032922436.db2.gz YRAZOHIFAVGLLX-UHFFFAOYSA-N 1 0 390.499 3.725 20 30 GHEDRO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(OCC#N)cc2)C1 ZINC000796569666 1021243894 /nfs/dbraw/zinc/24/38/94/1021243894.db2.gz GBZHAYSDZJREHQ-ICSRJNTNSA-N 1 0 385.508 3.812 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140399249 1021562939 /nfs/dbraw/zinc/56/29/39/1021562939.db2.gz SPFREMQVFSFMHD-XMSQKQJNSA-N 1 0 383.467 3.609 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)CCC[C@@H]1O ZINC001140437557 1021705516 /nfs/dbraw/zinc/70/55/16/1021705516.db2.gz KIZJKZRZPRJPLH-QRWLVFNGSA-N 1 0 383.492 3.889 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCC[C@H](CO)CC2)c2cc(C#N)ccc21 ZINC001140437628 1021706173 /nfs/dbraw/zinc/70/61/73/1021706173.db2.gz MKZFNGFFFCZJLW-INIZCTEOSA-N 1 0 383.492 3.891 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[NH+](C3CC3)CC2)c2cc(C#N)ccc21 ZINC001140437580 1021706221 /nfs/dbraw/zinc/70/62/21/1021706221.db2.gz LMQSBOKUBKZMRH-UHFFFAOYSA-N 1 0 380.492 3.576 20 30 GHEDRO c1ccc(C[N@@H+]2CCC(N=Nc3nc(-c4ccncc4)no3)[C@H]3CCC[C@H]32)cc1 ZINC000834952258 1021726660 /nfs/dbraw/zinc/72/66/60/1021726660.db2.gz NSSLLVYHYDVEDO-UYAOXDASSA-N 1 0 388.475 3.974 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000834955103 1021731234 /nfs/dbraw/zinc/73/12/34/1021731234.db2.gz IDARBPWQCDLLTD-UHFFFAOYSA-N 1 0 388.947 3.880 20 30 GHEDRO S=C(NN=C1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]12)Nc1ccccn1 ZINC000834964471 1021736477 /nfs/dbraw/zinc/73/64/77/1021736477.db2.gz CJUROIPJPNUMFK-IEBWSBKVSA-N 1 0 379.533 3.799 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)cc1C#N ZINC001203043100 1021886675 /nfs/dbraw/zinc/88/66/75/1021886675.db2.gz KNOPZUOPBXBSJP-LJQANCHMSA-N 1 0 385.508 3.979 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[NH+]3CCC(C)(C#N)CC3)c2)CC1 ZINC001140520632 1021912373 /nfs/dbraw/zinc/91/23/73/1021912373.db2.gz FFZLYUPUTZZMIY-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)nc2)CC1 ZINC001140540510 1021938172 /nfs/dbraw/zinc/93/81/72/1021938172.db2.gz YWDJJVLNJKBQNP-HXUWFJFHSA-N 1 0 384.524 3.955 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)cn1 ZINC001140541522 1021940243 /nfs/dbraw/zinc/94/02/43/1021940243.db2.gz JYNODEVLAJEQKV-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)cn1 ZINC001140546245 1021946554 /nfs/dbraw/zinc/94/65/54/1021946554.db2.gz AWUWDLGKLSYORQ-DEOSSOPVSA-N 1 0 396.494 3.757 20 30 GHEDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(C#N)ccc1Cl)CC2 ZINC001140598894 1022041552 /nfs/dbraw/zinc/04/15/52/1022041552.db2.gz IPAZGAKVWMDTJC-UHFFFAOYSA-N 1 0 383.927 3.543 20 30 GHEDRO CC(C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001140616748 1022082521 /nfs/dbraw/zinc/08/25/21/1022082521.db2.gz NYLXWUKSHFBEQW-JOCHJYFZSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)[C@@H]2CC ZINC001140627224 1022106503 /nfs/dbraw/zinc/10/65/03/1022106503.db2.gz LJYPLEVBALEVCZ-NQIIRXRSSA-N 1 0 394.462 3.915 20 30 GHEDRO CN1c2ccccc2C2(CCN(Cc3cc(F)c(C#N)c(F)c3)CC2)CC1=O ZINC001140757478 1022448214 /nfs/dbraw/zinc/44/82/14/1022448214.db2.gz KSAMFYCLFMVJPN-UHFFFAOYSA-N 1 0 381.426 3.737 20 30 GHEDRO CC(C)[N@H+]1CC(N=Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@H](C)C1 ZINC000754256594 1022564656 /nfs/dbraw/zinc/56/46/56/1022564656.db2.gz BUOAQDMVFOZSBG-MRXNPFEDSA-N 1 0 386.521 3.615 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cccc(C#N)c2Cl)CC3)cn1 ZINC001140813897 1022611247 /nfs/dbraw/zinc/61/12/47/1022611247.db2.gz VEYSCHQTPQVMFO-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(N(CC)CC)cc1O)C2 ZINC001140852978 1022702500 /nfs/dbraw/zinc/70/25/00/1022702500.db2.gz HQAQLJTXIOUGMX-DHIUTWEWSA-N 1 0 388.552 3.812 20 30 GHEDRO Cc1nc(SCC(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c(C#N)c(C)c1C ZINC000754874630 1022944329 /nfs/dbraw/zinc/94/43/29/1022944329.db2.gz ZFZWIHYNUBNXDW-UHFFFAOYSA-N 1 0 386.496 3.810 20 30 GHEDRO N#Cc1ccc(OCCC[N@@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000755178945 1023111445 /nfs/dbraw/zinc/11/14/45/1023111445.db2.gz DTTGFKLCJJMMAP-UHFFFAOYSA-N 1 0 395.322 3.646 20 30 GHEDRO CCOC(=O)[C@H]1C[N@H+](Cc2sc(N)c(C#N)c2Cl)C[C@H]2CCCC[C@@H]12 ZINC001141107044 1023515425 /nfs/dbraw/zinc/51/54/25/1023515425.db2.gz NVUJSHPDJIESQG-BZPMIXESSA-N 1 0 381.929 3.657 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1Cl ZINC001141112610 1023528617 /nfs/dbraw/zinc/52/86/17/1023528617.db2.gz GOTIAUWDCWPOCS-HZPDHXFCSA-N 1 0 386.952 3.809 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112883 1023529500 /nfs/dbraw/zinc/52/95/00/1023529500.db2.gz PZZSDHJUJFECTH-GHMZBOCLSA-N 1 0 384.933 3.590 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C#N ZINC001156655814 1033159084 /nfs/dbraw/zinc/15/90/84/1033159084.db2.gz LNYNMOFPSGWOAT-UHFFFAOYSA-N 1 0 390.318 3.932 20 30 GHEDRO CCc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000756887780 1023846888 /nfs/dbraw/zinc/84/68/88/1023846888.db2.gz UJXAJJKPQLDLBO-MRXNPFEDSA-N 1 0 393.535 3.624 20 30 GHEDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001138099205 1024075933 /nfs/dbraw/zinc/07/59/33/1024075933.db2.gz NGGLATAQGRQQRY-QHCPKHFHSA-N 1 0 375.472 3.586 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000837282496 1024318580 /nfs/dbraw/zinc/31/85/80/1024318580.db2.gz YQRSXRARKILIMB-LJQANCHMSA-N 1 0 384.911 3.615 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(N4CCOCC4)CC3)cc2)cc1 ZINC001141288003 1024411177 /nfs/dbraw/zinc/41/11/77/1024411177.db2.gz ZHRVMZURIQYVAK-UHFFFAOYSA-N 1 0 377.488 3.647 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@H]4CN(c5ncccn5)C[C@H]4C3)cc2)cc1 ZINC001141292228 1024421872 /nfs/dbraw/zinc/42/18/72/1024421872.db2.gz VOUJNCLNDNCZSU-OYRHEFFESA-N 1 0 397.482 3.709 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 ZINC000837430203 1024451974 /nfs/dbraw/zinc/45/19/74/1024451974.db2.gz CVNPOQXFEOUYDM-UHFFFAOYSA-N 1 0 383.879 3.745 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncc(Cl)nc2C#N)[C@H](C)CCC[NH3+])c1 ZINC001156749434 1033220892 /nfs/dbraw/zinc/22/08/92/1033220892.db2.gz CDYKZKCCWZSAHO-CYBMUJFWSA-N 1 0 396.882 3.824 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncc(F)cc2C#N)[C@H](C)CCC[NH3+])c1 ZINC001156749355 1033221178 /nfs/dbraw/zinc/22/11/78/1033221178.db2.gz ABQBRWYYRUMEFF-CQSZACIVSA-N 1 0 379.439 3.915 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000831691402 1024745022 /nfs/dbraw/zinc/74/50/22/1024745022.db2.gz NTNAUMGSFIPWPN-UHFFFAOYSA-N 1 0 384.398 3.643 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(N(CC)CC)cc1OC)C2 ZINC001138389563 1024765623 /nfs/dbraw/zinc/76/56/23/1024765623.db2.gz PWBJYRNKVADNOB-JTHBVZDNSA-N 1 0 388.552 3.868 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc3c1OCOC3)[C@@H]2CC ZINC001141392528 1024853514 /nfs/dbraw/zinc/85/35/14/1024853514.db2.gz WEVLPXLTGBLMFB-KNQAVFIVSA-N 1 0 388.483 3.614 20 30 GHEDRO COCC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000831857342 1024945349 /nfs/dbraw/zinc/94/53/49/1024945349.db2.gz KEETWWHRAJAZKB-MOPGFXCFSA-N 1 0 378.394 3.978 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)cc1 ZINC001138559385 1025021986 /nfs/dbraw/zinc/02/19/86/1025021986.db2.gz LFCYMWJOJGCPKT-VWNXMTODSA-N 1 0 380.532 3.844 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)cc1 ZINC001138560967 1025023271 /nfs/dbraw/zinc/02/32/71/1025023271.db2.gz RZPWKRHLNDOYAP-FQEVSTJZSA-N 1 0 375.472 3.711 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1O ZINC001138627790 1025129126 /nfs/dbraw/zinc/12/91/26/1025129126.db2.gz OXOOCYWWTKGTKD-DEOSSOPVSA-N 1 0 391.515 3.530 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCCC(C)(C)C#N)CC12CCOCC2 ZINC000832031017 1025153670 /nfs/dbraw/zinc/15/36/70/1025153670.db2.gz VATSTGHGHXTJOD-KRWDZBQOSA-N 1 0 379.545 3.570 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1cc(Cl)cc(OC)c1OC)CCC2 ZINC001138743139 1025283141 /nfs/dbraw/zinc/28/31/41/1025283141.db2.gz OQQBZLPSMMBJBC-UHFFFAOYSA-N 1 0 391.899 3.662 20 30 GHEDRO C#Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000838724544 1025325339 /nfs/dbraw/zinc/32/53/39/1025325339.db2.gz RLIGWAPFMIFEJL-CVDCTZTESA-N 1 0 375.516 3.862 20 30 GHEDRO Cc1cc(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)nn1-c1cccc(C#N)c1 ZINC000832230144 1025354186 /nfs/dbraw/zinc/35/41/86/1025354186.db2.gz SJYPJBHGPRCKPS-UHFFFAOYSA-N 1 0 391.519 3.533 20 30 GHEDRO C#CCOc1ccc(C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)cc1 ZINC000839130492 1025625072 /nfs/dbraw/zinc/62/50/72/1025625072.db2.gz WFYVUOMPUKJALO-UHFFFAOYSA-N 1 0 390.277 3.855 20 30 GHEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000839166786 1025676162 /nfs/dbraw/zinc/67/61/62/1025676162.db2.gz TYAYQQNIXWUGDP-MRXNPFEDSA-N 1 0 387.524 3.904 20 30 GHEDRO Cn1cc(CNc2ccc(OCC[NH+](C)C)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000839190421 1025710911 /nfs/dbraw/zinc/71/09/11/1025710911.db2.gz OSQYNSRUQASHFF-UHFFFAOYSA-N 1 0 393.466 3.650 20 30 GHEDRO CCOc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)ccc1OC(C)=O ZINC001139008159 1025756979 /nfs/dbraw/zinc/75/69/79/1025756979.db2.gz PFQYGQXFOQHQLS-OAQYLSRUSA-N 1 0 394.471 3.926 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 ZINC001139032288 1025802028 /nfs/dbraw/zinc/80/20/28/1025802028.db2.gz JGUTVZRNOADXFB-QFIPXVFZSA-N 1 0 397.544 3.641 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1(C)C ZINC001162904743 1025961538 /nfs/dbraw/zinc/96/15/38/1025961538.db2.gz JUFOSMNXNNOJKM-NHCUHLMSSA-N 1 0 377.488 3.596 20 30 GHEDRO N#Cc1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2sccc21 ZINC001163047688 1026025412 /nfs/dbraw/zinc/02/54/12/1026025412.db2.gz NDQDYCMFKMWZLI-SFHVURJKSA-N 1 0 378.501 3.871 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](O)c1ccccc1 ZINC000839601667 1026101391 /nfs/dbraw/zinc/10/13/91/1026101391.db2.gz LZRHRKZVWGHATN-NHCUHLMSSA-N 1 0 397.544 3.785 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000839647502 1026162259 /nfs/dbraw/zinc/16/22/59/1026162259.db2.gz ZXOWCNQOUBAJEL-FQEVSTJZSA-N 1 0 384.483 3.690 20 30 GHEDRO COc1cc2nc(Cl)c(NC(C)=NCc3cccc(C[NH3+])c3)nc2cc1OC ZINC001163472430 1026206988 /nfs/dbraw/zinc/20/69/88/1026206988.db2.gz ZUWXIUYRUUBCQR-UHFFFAOYSA-N 1 0 399.882 3.790 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001163471953 1026207246 /nfs/dbraw/zinc/20/72/46/1026207246.db2.gz PMQPYJNEDOJWIE-UHFFFAOYSA-N 1 0 389.837 3.999 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N3CCCCC3)nc1)C2 ZINC001139343059 1026207896 /nfs/dbraw/zinc/20/78/96/1026207896.db2.gz PVQUNFNZDLBHSM-GGAORHGYSA-N 1 0 385.552 3.646 20 30 GHEDRO N#Cc1ccnc(-c2ccc(CN3CC4(C3)C[NH+](Cc3ccccc3)C4)cc2)c1 ZINC001139405103 1026277695 /nfs/dbraw/zinc/27/76/95/1026277695.db2.gz JFCUJPJBTSGWDX-UHFFFAOYSA-N 1 0 380.495 3.938 20 30 GHEDRO [NH2+]=C(Nc1cc(F)c(CN2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC001163685061 1026282607 /nfs/dbraw/zinc/28/26/07/1026282607.db2.gz JCVFUWMRXSLHOK-UHFFFAOYSA-N 1 0 399.363 3.853 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2(C#N)CCSCC2)C1 ZINC001141702479 1026286508 /nfs/dbraw/zinc/28/65/08/1026286508.db2.gz RENYUWOFUBCZBT-HDICACEKSA-N 1 0 385.577 3.818 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)cn2)cc1 ZINC001139425586 1026296611 /nfs/dbraw/zinc/29/66/11/1026296611.db2.gz RSQUULBYFFNYQO-HXUWFJFHSA-N 1 0 390.487 3.580 20 30 GHEDRO COC(=O)C=Cc1ccc(N=C(NO)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001163771045 1026312047 /nfs/dbraw/zinc/31/20/47/1026312047.db2.gz WIFNISFWZFZZNW-WCIBSUBMSA-N 1 0 380.322 3.829 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(c2cc(C(F)(F)F)c(F)cc2C#N)CC1 ZINC001163852465 1026340815 /nfs/dbraw/zinc/34/08/15/1026340815.db2.gz YPERSJHHDBVANH-UHFFFAOYSA-N 1 0 385.405 3.797 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(NCc3cc(C#N)ccc3Br)c2)CC1 ZINC001461094807 1069386472 /nfs/dbraw/zinc/38/64/72/1069386472.db2.gz YJOOSHUTLDBFMQ-UHFFFAOYSA-N 1 0 399.336 3.680 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cnc1Cl ZINC001139543578 1026406701 /nfs/dbraw/zinc/40/67/01/1026406701.db2.gz DOVVQISWKUYACA-OAQYLSRUSA-N 1 0 380.879 3.544 20 30 GHEDRO N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000840015220 1026408650 /nfs/dbraw/zinc/40/86/50/1026408650.db2.gz OAGBBXGZFKHQGY-UHFFFAOYSA-N 1 0 391.471 3.882 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC001139649198 1026510406 /nfs/dbraw/zinc/51/04/06/1026510406.db2.gz RGGWRWPEJYHMPI-XZOQPEGZSA-N 1 0 395.478 3.680 20 30 GHEDRO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001139689514 1026540719 /nfs/dbraw/zinc/54/07/19/1026540719.db2.gz PPPMZODDTGKHPC-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccc(Cl)c3C#N)CC[C@@H]21 ZINC001139689857 1026542197 /nfs/dbraw/zinc/54/21/97/1026542197.db2.gz WGJIRYNLBPBAGP-DXIQSLLYSA-N 1 0 397.954 3.782 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C2)C1 ZINC001139703327 1026548350 /nfs/dbraw/zinc/54/83/50/1026548350.db2.gz MDHASTXUTAVKPQ-QFIPXVFZSA-N 1 0 380.492 3.872 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C2)C1 ZINC001139703326 1026548899 /nfs/dbraw/zinc/54/88/99/1026548899.db2.gz MDHASTXUTAVKPQ-JOCHJYFZSA-N 1 0 380.492 3.872 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(C)c(C#N)c4)C3)CC2=O)cc1 ZINC001139723874 1026566833 /nfs/dbraw/zinc/56/68/33/1026566833.db2.gz IVMMGGPMDCIDAS-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO Cc1nc(CN2CC[C@]3(CCC[N@H+](Cc4ccc(C)c(C#N)c4)C3)C2=O)cs1 ZINC001139725353 1026568436 /nfs/dbraw/zinc/56/84/36/1026568436.db2.gz MCNGVPQNEOKCKU-QFIPXVFZSA-N 1 0 394.544 3.646 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)cc1C#N ZINC001139725210 1026568859 /nfs/dbraw/zinc/56/88/59/1026568859.db2.gz HGUQAWQYMSPYHP-RUZDIDTESA-N 1 0 387.527 3.924 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CC[NH2+][C@H](Cc4ccccc4)C3)nc2)cc1 ZINC001164624460 1026569409 /nfs/dbraw/zinc/56/94/09/1026569409.db2.gz DDTIMKUQQWMLPD-HSZRJFAPSA-N 1 0 398.510 3.748 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccc(C)c(C#N)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001139725720 1026570301 /nfs/dbraw/zinc/57/03/01/1026570301.db2.gz YWGFHHYSBFKUMA-NJYVYQBISA-N 1 0 383.517 3.580 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCN(Cc3cc(Cl)cnc3OC)CC2)CC1 ZINC001139744264 1026582993 /nfs/dbraw/zinc/58/29/93/1026582993.db2.gz DWAGBUNXJFQWCE-UHFFFAOYSA-N 1 0 393.915 3.744 20 30 GHEDRO N#Cc1cc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165081326 1026592539 /nfs/dbraw/zinc/59/25/39/1026592539.db2.gz IRCVCJROKFOLNA-JTSKRJEESA-N 1 0 399.454 3.725 20 30 GHEDRO N#Cc1cc(C#N)c(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)nc1Cl ZINC001165149000 1026634085 /nfs/dbraw/zinc/63/40/85/1026634085.db2.gz DOJLTCCCOJGBIB-UHFFFAOYSA-N 1 0 377.879 3.505 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165264372 1026682082 /nfs/dbraw/zinc/68/20/82/1026682082.db2.gz CELRJCQQLGZXRE-MRXNPFEDSA-N 1 0 395.816 3.666 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3cc(F)cc(C#N)c3)C1)C2 ZINC001139875915 1026692074 /nfs/dbraw/zinc/69/20/74/1026692074.db2.gz HDFPANAEUIFOAW-AUSIDOKSSA-N 1 0 378.447 3.792 20 30 GHEDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)C1=O ZINC001139876711 1026693644 /nfs/dbraw/zinc/69/36/44/1026693644.db2.gz KDGJHNWXNFBOAZ-NRFANRHFSA-N 1 0 377.463 3.535 20 30 GHEDRO N#Cc1cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165421069 1026723482 /nfs/dbraw/zinc/72/34/82/1026723482.db2.gz KHSZSHKATLWZRT-OFNKIYASSA-N 1 0 399.454 3.598 20 30 GHEDRO N#Cc1c[nH]c2nc(N(c3cccc(F)c3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc12 ZINC001165479384 1026741960 /nfs/dbraw/zinc/74/19/60/1026741960.db2.gz WWHGZEIROQRWGF-PGRDOPGGSA-N 1 0 391.450 3.623 20 30 GHEDRO N#Cc1cnc2cc[nH]c(N(c3cccc(F)c3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c1-2 ZINC001165483835 1026744257 /nfs/dbraw/zinc/74/42/57/1026744257.db2.gz YMDPCPVNWYXNJG-GCJKJVERSA-N 1 0 391.450 3.623 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001140018350 1026801825 /nfs/dbraw/zinc/80/18/25/1026801825.db2.gz SENLQRZGAOYRQN-PKTZIBPZSA-N 1 0 379.504 3.717 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3-n3ccnc3C)C2)C1 ZINC001140023642 1026810358 /nfs/dbraw/zinc/81/03/58/1026810358.db2.gz TWHHDXOAHDFQMC-HSZRJFAPSA-N 1 0 394.519 3.791 20 30 GHEDRO Cc1cccc(N(c2nc(Cl)cc(C)c2C#N)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165771477 1026829913 /nfs/dbraw/zinc/82/99/13/1026829913.db2.gz LPEWLAGESHFZQG-DYESRHJHSA-N 1 0 382.895 3.883 20 30 GHEDRO CN(CC[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1)C(=O)OC(C)(C)C ZINC001203001060 1026868823 /nfs/dbraw/zinc/86/88/23/1026868823.db2.gz RUGWTUKVRZFQPP-UHFFFAOYSA-N 1 0 393.915 3.922 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(C[C@@H](c5ccccc5)C(=O)N4)CC3)c2c1 ZINC001140114595 1026897331 /nfs/dbraw/zinc/89/73/31/1026897331.db2.gz XYOINKSSPDUZAZ-NRFANRHFSA-N 1 0 384.483 3.678 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)[C@H]1c1ccccc1 ZINC001140114586 1026897378 /nfs/dbraw/zinc/89/73/78/1026897378.db2.gz XRESKMOJEONJNM-JOCHJYFZSA-N 1 0 384.483 3.835 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)c(F)c1 ZINC001140137742 1026911276 /nfs/dbraw/zinc/91/12/76/1026911276.db2.gz WBVHTYHNSSPFJO-IRLDBZIGSA-N 1 0 399.441 3.682 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001140137643 1026911545 /nfs/dbraw/zinc/91/15/45/1026911545.db2.gz QPRWVWDDNABGFU-QTGUNEKASA-N 1 0 378.495 3.825 20 30 GHEDRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140138194 1026912093 /nfs/dbraw/zinc/91/20/93/1026912093.db2.gz HOZKEGDOIMHWLW-HXUWFJFHSA-N 1 0 377.463 3.678 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c(F)c1 ZINC001140141534 1026915757 /nfs/dbraw/zinc/91/57/57/1026915757.db2.gz YKTMWJJODWJYAK-UHFFFAOYSA-N 1 0 385.870 3.879 20 30 GHEDRO COc1nc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c(F)cc1C#N ZINC001166496735 1027015201 /nfs/dbraw/zinc/01/52/01/1027015201.db2.gz QEANEGFSYYCHES-UHFFFAOYSA-N 1 0 389.390 3.612 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1=S ZINC000840087426 1027167421 /nfs/dbraw/zinc/16/74/21/1027167421.db2.gz SDZUMQZLIRRJCN-QFIPXVFZSA-N 1 0 397.592 3.951 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000840091562 1027174076 /nfs/dbraw/zinc/17/40/76/1027174076.db2.gz MOZPWTKALDJAKP-FQEVSTJZSA-N 1 0 393.878 3.889 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)cc21 ZINC001209773402 1027178706 /nfs/dbraw/zinc/17/87/06/1027178706.db2.gz FTNLSOAQZNRKMK-FQEVSTJZSA-N 1 0 375.476 3.618 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)[C@@H](O)C(F)(F)F ZINC001203352378 1027287024 /nfs/dbraw/zinc/28/70/24/1027287024.db2.gz UUMKOWOWWOLSFP-WHGOUJPWSA-N 1 0 399.253 3.960 20 30 GHEDRO N#C[C@H]1CNCCN1Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC001210121046 1027346671 /nfs/dbraw/zinc/34/66/71/1027346671.db2.gz JKSSHGKLJNPJSG-INIZCTEOSA-N 1 0 376.287 3.870 20 30 GHEDRO N#C[C@@H]1CNCCN1Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC001210121052 1027346811 /nfs/dbraw/zinc/34/68/11/1027346811.db2.gz JKSSHGKLJNPJSG-MRXNPFEDSA-N 1 0 376.287 3.870 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c(OC)c1OC ZINC001203471323 1027361677 /nfs/dbraw/zinc/36/16/77/1027361677.db2.gz KDEVLIUBXIPARS-IBGZPJMESA-N 1 0 382.460 3.627 20 30 GHEDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cccc(C#N)c4)C3)C2)cc1 ZINC001203757486 1027579316 /nfs/dbraw/zinc/57/93/16/1027579316.db2.gz LPPJQALGEYBHSW-DEOSSOPVSA-N 1 0 391.515 3.686 20 30 GHEDRO COC[C@H]1CC2(CN1Cc1nccs1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757259 1027580330 /nfs/dbraw/zinc/58/03/30/1027580330.db2.gz IRBUOSIDNRLDDX-HXUWFJFHSA-N 1 0 396.560 3.518 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c1 ZINC001203761530 1027584001 /nfs/dbraw/zinc/58/40/01/1027584001.db2.gz BIZXFYGRZVKUNH-OAQYLSRUSA-N 1 0 377.488 3.651 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)c1 ZINC001203761928 1027584273 /nfs/dbraw/zinc/58/42/73/1027584273.db2.gz IBNLSKWYOLOGEM-UHFFFAOYSA-N 1 0 377.463 3.855 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccc(Br)c1)CC2 ZINC001203764675 1027587360 /nfs/dbraw/zinc/58/73/60/1027587360.db2.gz KLPKFVOUHNQDPJ-UHFFFAOYSA-N 1 0 379.298 3.670 20 30 GHEDRO C[NH+]1CCC(n2cc(Nc3c(C#N)cnn3-c3cccc(Cl)c3)cn2)CC1 ZINC001210753715 1027637850 /nfs/dbraw/zinc/63/78/50/1027637850.db2.gz HNRVDVDOUXIPCB-UHFFFAOYSA-N 1 0 381.871 3.604 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)cc1 ZINC001203901419 1027694809 /nfs/dbraw/zinc/69/48/09/1027694809.db2.gz MZQAUIHQBFLQTQ-LADGPHEKSA-N 1 0 389.499 3.502 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)cc1 ZINC001203902321 1027696811 /nfs/dbraw/zinc/69/68/11/1027696811.db2.gz ZKNJSUKWZQKHQL-XZOQPEGZSA-N 1 0 377.488 3.541 20 30 GHEDRO CSc1nc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC001141941746 1027716888 /nfs/dbraw/zinc/71/68/88/1027716888.db2.gz WDHTXOVXEBZUBW-JOCHJYFZSA-N 1 0 378.545 3.773 20 30 GHEDRO CCOc1ccc(/C=N\C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c(O)c1 ZINC000840709256 1027749025 /nfs/dbraw/zinc/74/90/25/1027749025.db2.gz LZHGFSIBTZEEKB-IWIPYMOSSA-N 1 0 395.503 3.833 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840758831 1027798656 /nfs/dbraw/zinc/79/86/56/1027798656.db2.gz HQMNXFRYIUPSNF-NRFANRHFSA-N 1 0 383.442 3.840 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1 ZINC000840800255 1027839049 /nfs/dbraw/zinc/83/90/49/1027839049.db2.gz FFBNYIPFMSZZIM-LPHOPBHVSA-N 1 0 395.927 3.884 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001211321747 1027909245 /nfs/dbraw/zinc/90/92/45/1027909245.db2.gz RHGODHAZUILFIV-RTBURBONSA-N 1 0 382.552 3.815 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)cc1 ZINC000840958108 1027989548 /nfs/dbraw/zinc/98/95/48/1027989548.db2.gz IJYRTDPELUALJI-FGZHOGPDSA-N 1 0 398.547 3.952 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001461312685 1069494438 /nfs/dbraw/zinc/49/44/38/1069494438.db2.gz PIMVNEIFIHGYSK-FHWLQOOXSA-N 1 0 379.504 3.770 20 30 GHEDRO Cc1cc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)ccc1-c1ccc(Br)cc1 ZINC000841203882 1028276141 /nfs/dbraw/zinc/27/61/41/1028276141.db2.gz VGKIDEIMVARUGE-KSSFIOAISA-N 1 0 399.292 3.658 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC001142298919 1028614456 /nfs/dbraw/zinc/61/44/56/1028614456.db2.gz WUFLUKWEVRTPDW-UHFFFAOYSA-N 1 0 381.520 3.704 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@H](C)[C@@H](C)[C@H]2C)c1=S ZINC000841693199 1028845708 /nfs/dbraw/zinc/84/57/08/1028845708.db2.gz TXUIBFCQEISHJY-RCCFBDPRSA-N 1 0 377.602 3.562 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001215510602 1029247400 /nfs/dbraw/zinc/24/74/00/1029247400.db2.gz VPRVMPSHEXPSDG-IBGZPJMESA-N 1 0 381.451 3.542 20 30 GHEDRO COc1cc2cccnc2c(N(C(=O)C#Cc2ccccc2)[C@@H](C)CCC[NH3+])c1 ZINC001142861662 1029597697 /nfs/dbraw/zinc/59/76/97/1029597697.db2.gz YJNXTECCZZOAEJ-SFHVURJKSA-N 1 0 387.483 3.756 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c[nH]c4cc(C#N)ccc34)CC[C@@H]2C1 ZINC001142916368 1029688810 /nfs/dbraw/zinc/68/88/10/1029688810.db2.gz SYAKGLDWVJPXGX-AEFFLSMTSA-N 1 0 380.492 3.728 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]21 ZINC001142928601 1029709668 /nfs/dbraw/zinc/70/96/68/1029709668.db2.gz DMSLAZPONNNRKL-FUDKSRODSA-N 1 0 399.498 3.581 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](Cc2ccc(F)cc2C)C(=O)NC)c(O)c1 ZINC000843265415 1029875078 /nfs/dbraw/zinc/87/50/78/1029875078.db2.gz GNTVBXSPOWLKEZ-FOGHPNEFSA-N 1 0 399.510 3.710 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4c(F)ccc(C#N)c4F)C3)C2=O)c1 ZINC001143169628 1029880209 /nfs/dbraw/zinc/88/02/09/1029880209.db2.gz MEPMJZZZDDDKHW-HSZRJFAPSA-N 1 0 395.453 3.770 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001222150746 1029978830 /nfs/dbraw/zinc/97/88/30/1029978830.db2.gz CYSGUYCJLPETAX-IRLDBZIGSA-N 1 0 384.568 3.633 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C[NH+]2CCCC2)o1 ZINC001149336830 1030137726 /nfs/dbraw/zinc/13/77/26/1030137726.db2.gz OXHDFNQWHIMCOQ-UHFFFAOYSA-N 1 0 376.378 3.676 20 30 GHEDRO Cc1cc(-c2noc(-c3ccc4c(c3)C3(CC4=O)CC[NH2+]CC3)n2)ccc1C#N ZINC001217209805 1030236947 /nfs/dbraw/zinc/23/69/47/1030236947.db2.gz ROJQMQVTOLGVRM-UHFFFAOYSA-N 1 0 384.439 3.791 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)ccnc3OC)CC2)C1=O ZINC001276857430 1030397778 /nfs/dbraw/zinc/39/77/78/1030397778.db2.gz JCPHLQUYLCRYBN-FQEVSTJZSA-N 1 0 377.916 3.524 20 30 GHEDRO CCOc1c(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c(C)nn1CC(C)C ZINC001461678211 1069674304 /nfs/dbraw/zinc/67/43/04/1069674304.db2.gz QCHYSBFQNGKEOZ-UHFFFAOYSA-N 1 0 395.551 3.877 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001223445620 1030577251 /nfs/dbraw/zinc/57/72/51/1030577251.db2.gz XBVIILJOFMRHAE-QRVBRYPASA-N 1 0 379.932 3.756 20 30 GHEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4cccc5c(C#N)c[nH]c54)n3)c2)CC1 ZINC001217674570 1030593574 /nfs/dbraw/zinc/59/35/74/1030593574.db2.gz RJOCBPAJWPXABK-UHFFFAOYSA-N 1 0 384.443 3.508 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1OC[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C ZINC001217832915 1030658195 /nfs/dbraw/zinc/65/81/95/1030658195.db2.gz QXHHFXNCMIMJHW-NZQKXSOJSA-N 1 0 391.552 3.860 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CCC[NH2+]C[C@H]2C)c1 ZINC001217990060 1030708175 /nfs/dbraw/zinc/70/81/75/1030708175.db2.gz OAGFNEOLLKFSPI-FCFRGYFYSA-N 1 0 397.471 3.769 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H](C)C3CC[NH2+]CC3)c(C#N)c2)nc1C ZINC001218004769 1030716865 /nfs/dbraw/zinc/71/68/65/1030716865.db2.gz GULXPZBSAKPKCH-AWEZNQCLSA-N 1 0 399.516 3.934 20 30 GHEDRO COc1cc(O[C@H]2CC[NH2+]CC[C@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218022717 1030728911 /nfs/dbraw/zinc/72/89/11/1030728911.db2.gz HHHZLAHBNQPCOY-IOCQIYKMSA-N 1 0 385.435 3.766 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[NH2+]CC[C@@H]2C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218033585 1030734334 /nfs/dbraw/zinc/73/43/34/1030734334.db2.gz DWOUNSVIQCVORE-ZOJGRVLMSA-N 1 0 397.471 3.769 20 30 GHEDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001218033620 1030735560 /nfs/dbraw/zinc/73/55/60/1030735560.db2.gz FSLHKXRZKVLDIR-HBHISVEPSA-N 1 0 395.455 3.523 20 30 GHEDRO O=C(/C=C\c1ccc(O[C@@H]2C[NH2+]CCOC2)cc1)CCCCc1ccc(O)cc1 ZINC001218047497 1030740754 /nfs/dbraw/zinc/74/07/54/1030740754.db2.gz RASBUDPBJKGDRR-VWTHGPEQSA-N 1 0 395.499 3.755 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001218061245 1030748899 /nfs/dbraw/zinc/74/88/99/1030748899.db2.gz OWFHCZQAQCVUMB-VBOZERGBSA-N 1 0 397.471 3.825 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001223833616 1030774861 /nfs/dbraw/zinc/77/48/61/1030774861.db2.gz ZTHIHEBNBUWKHG-FPOVZHCZSA-N 1 0 387.568 3.865 20 30 GHEDRO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218105272 1030775813 /nfs/dbraw/zinc/77/58/13/1030775813.db2.gz WUPLKZRTFFBBPV-FPYGCLRLSA-N 1 0 379.456 3.905 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001218135905 1030791966 /nfs/dbraw/zinc/79/19/66/1030791966.db2.gz IHYGTTLOPOHWEI-UBNSAANFSA-N 1 0 391.515 3.697 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1ccc2cc(Br)ccc2c1Br ZINC001218202019 1030825098 /nfs/dbraw/zinc/82/50/98/1030825098.db2.gz WVWCYNGVRKGXQM-IINYFYTJSA-N 1 0 396.082 3.855 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC001218207032 1030828927 /nfs/dbraw/zinc/82/89/27/1030828927.db2.gz GFFZIYHBPRRSJF-SFHVURJKSA-N 1 0 387.277 3.998 20 30 GHEDRO C=CCOCC(COCC=C)Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218224434 1030840571 /nfs/dbraw/zinc/84/05/71/1030840571.db2.gz ZGEDQJMZOFHFBI-UHFFFAOYSA-N 1 0 397.519 3.627 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)cc2)C=C1 ZINC001218327436 1030895347 /nfs/dbraw/zinc/89/53/47/1030895347.db2.gz SSFFQBLGIVBFRU-WUMKDDEVSA-N 1 0 385.463 3.876 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001218403286 1030922266 /nfs/dbraw/zinc/92/22/66/1030922266.db2.gz XIWPMKXBZFEWGR-LPHOPBHVSA-N 1 0 379.456 3.918 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1noc2c1CN(Cc1ccccc1)CC2(F)F ZINC001218457592 1030944371 /nfs/dbraw/zinc/94/43/71/1030944371.db2.gz VJHKIAKUNWFMPM-QZTJIDSGSA-N 1 0 389.446 3.858 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)c2)cc1OC ZINC001218460585 1030946815 /nfs/dbraw/zinc/94/68/15/1030946815.db2.gz MYYSCNCIONULOB-YRRPUHTASA-N 1 0 393.483 3.977 20 30 GHEDRO CC1(C)C[C@H](Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)CC[NH2+]1 ZINC001218479631 1030954252 /nfs/dbraw/zinc/95/42/52/1030954252.db2.gz XLHRKJHLRHKDAP-NQUDRAQSSA-N 1 0 395.455 3.666 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC001218484307 1030956589 /nfs/dbraw/zinc/95/65/89/1030956589.db2.gz QOPLANLBDUTICS-IERDGZPVSA-N 1 0 379.456 3.776 20 30 GHEDRO CSc1cc(C)nc(SC)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001218516752 1030969599 /nfs/dbraw/zinc/96/95/99/1030969599.db2.gz JBYSURSLNIILES-CVEARBPZSA-N 1 0 398.557 3.647 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC001218558943 1030986649 /nfs/dbraw/zinc/98/66/49/1030986649.db2.gz MUEZDMGGNKVDHK-SFHVURJKSA-N 1 0 382.508 3.801 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)[C@@H]([NH3+])Cc3c[nH]c4ccc(Cl)cc34)cc2s1 ZINC001218910248 1031148424 /nfs/dbraw/zinc/14/84/24/1031148424.db2.gz GVDQJSJPSMISQU-AWEZNQCLSA-N 1 0 395.875 3.811 20 30 GHEDRO N#Cc1nc2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3C(F)(F)F)cc2s1 ZINC001218910269 1031148481 /nfs/dbraw/zinc/14/84/81/1031148481.db2.gz HPKGRLFEEAEURC-ZDUSSCGKSA-N 1 0 390.390 3.695 20 30 GHEDRO N#Cc1cc(NC(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)ccc1N1CCCCC1 ZINC001218944298 1031169192 /nfs/dbraw/zinc/16/91/92/1031169192.db2.gz KRDFIDGENVYDMR-KRWDZBQOSA-N 1 0 398.457 3.725 20 30 GHEDRO CCc1cc(NC(=O)[C@@H]2OC3(CC[NH2+]CC3)c3ccccc32)cc(CC)c1C#N ZINC001219112918 1031257873 /nfs/dbraw/zinc/25/78/73/1031257873.db2.gz ZQEIRZZKOQGGAR-JOCHJYFZSA-N 1 0 389.499 3.972 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)c2cccnc12 ZINC001219465095 1031438288 /nfs/dbraw/zinc/43/82/88/1031438288.db2.gz KIJXXJBEOQCTPU-MRXNPFEDSA-N 1 0 384.361 3.634 20 30 GHEDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)Nc2ccc(F)c(CC#N)c2)cc1 ZINC001219518285 1031468975 /nfs/dbraw/zinc/46/89/75/1031468975.db2.gz DZJFACQIWSYTMO-KRWDZBQOSA-N 1 0 383.467 3.968 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cn3)cc2)C1 ZINC001219652618 1031541459 /nfs/dbraw/zinc/54/14/59/1031541459.db2.gz HOZOUBSLENMIQT-IRXDYDNUSA-N 1 0 377.492 3.753 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccc(C3CC3)c(C#N)c2)cc1 ZINC001219954248 1031715820 /nfs/dbraw/zinc/71/58/20/1031715820.db2.gz SMTHRNSJKCFHPV-NRFANRHFSA-N 1 0 378.476 3.869 20 30 GHEDRO N#Cc1ccc([C@H]([NH3+])CC(=O)NCc2ccccc2OCc2ccccc2)cc1 ZINC001220274525 1031876703 /nfs/dbraw/zinc/87/67/03/1031876703.db2.gz GPQDZDQQXJBNRR-JOCHJYFZSA-N 1 0 385.467 3.844 20 30 GHEDRO O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001220286485 1031880603 /nfs/dbraw/zinc/88/06/03/1031880603.db2.gz KNVBKQMNYMZGOY-DLBZAZTESA-N 1 0 394.858 3.516 20 30 GHEDRO CC(C)(C)c1ccc(-c2noc([C@@H](O)[C@H]([NH3+])Cc3ccccc3)n2)c(C#N)c1 ZINC001205303938 1033349921 /nfs/dbraw/zinc/34/99/21/1033349921.db2.gz KFBFMGTUQZHMSI-MOPGFXCFSA-N 1 0 376.460 3.509 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc2ccc(C)nc21 ZINC001157004342 1033370823 /nfs/dbraw/zinc/37/08/23/1033370823.db2.gz ULNOTIIGRXXROA-INIZCTEOSA-N 1 0 388.309 3.686 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001157175621 1033450000 /nfs/dbraw/zinc/45/00/00/1033450000.db2.gz FKKLEFJKECZKGB-MXVIHJGJSA-N 1 0 397.482 3.824 20 30 GHEDRO O=C1C=CC(=O)c2c(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)ccc(O)c21 ZINC001229406757 1033463175 /nfs/dbraw/zinc/46/31/75/1033463175.db2.gz CFRNFVDAHXDGEB-CBGDNZLLSA-N 1 0 389.451 3.617 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2CCC[N@H+](C)C2)c1 ZINC001229469121 1033500663 /nfs/dbraw/zinc/50/06/63/1033500663.db2.gz YQJFKNSFOIHTBD-VEGGFIAOSA-N 1 0 397.471 3.779 20 30 GHEDRO N#Cc1cc2c(nc1N(c1ncnc3ccccc31)C1CC[NH2+]CC1)CCCC2 ZINC001157328605 1033537619 /nfs/dbraw/zinc/53/76/19/1033537619.db2.gz LBBGBVXARSCRMJ-UHFFFAOYSA-N 1 0 384.487 3.665 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001229524545 1033537815 /nfs/dbraw/zinc/53/78/15/1033537815.db2.gz HEMWBBHZXCBHDG-HXUWFJFHSA-N 1 0 384.911 3.698 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc(Cl)n1 ZINC001157435922 1033586950 /nfs/dbraw/zinc/58/69/50/1033586950.db2.gz SVDVCTQYWWLCII-QGZVFWFLSA-N 1 0 376.838 3.910 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCCC[C@]12CCC[NH2+]C2 ZINC001157475117 1033610396 /nfs/dbraw/zinc/61/03/96/1033610396.db2.gz ABOSHZXOZJFEKA-HXUWFJFHSA-N 1 0 383.883 3.906 20 30 GHEDRO Cc1nc(O[C@@H]2CC(F)(F)C2(F)F)c(C#N)cc1-c1ccc2nccn2c1 ZINC001229769582 1033701021 /nfs/dbraw/zinc/70/10/21/1033701021.db2.gz SCPYQDLHGLWGMS-CQSZACIVSA-N 1 0 376.313 3.998 20 30 GHEDRO N#Cc1cccnc1N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001157666927 1033711705 /nfs/dbraw/zinc/71/17/05/1033711705.db2.gz ADFKSRUBEBJBQE-UHFFFAOYSA-N 1 0 376.504 3.603 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(Br)c(OC)c(OC)c2)no1 ZINC001206094593 1033716508 /nfs/dbraw/zinc/71/65/08/1033716508.db2.gz QCGRVOYWMFKRRX-UHFFFAOYSA-N 1 0 394.269 3.625 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(C3(Cc4cccc(F)c4)CC[NH2+]CC3)n2)c1 ZINC001206135408 1033734729 /nfs/dbraw/zinc/73/47/29/1033734729.db2.gz UHINOMKRTPDYCL-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO CC(C)(C)[NH+]1CCC(Oc2ccc(I)cc2C#N)CC1 ZINC001229849528 1033751401 /nfs/dbraw/zinc/75/14/01/1033751401.db2.gz KDLGXQIZCSSVAH-UHFFFAOYSA-N 1 0 384.261 3.805 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001206202267 1033762976 /nfs/dbraw/zinc/76/29/76/1033762976.db2.gz CHWYIQIXQRGHNQ-UONOGXRCSA-N 1 0 396.329 3.960 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2-n2cnc3ccc(C[NH3+])cc32)c1 ZINC001158013224 1033868649 /nfs/dbraw/zinc/86/86/49/1033868649.db2.gz YYOAMJPZLSKWNX-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO CC(C)N([C@@H]1CC[NH2+]C1)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001158035074 1033874998 /nfs/dbraw/zinc/87/49/98/1033874998.db2.gz OVIGWLFSOCIQPC-OAHLLOKOSA-N 1 0 391.853 3.790 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1 ZINC001158078726 1033902891 /nfs/dbraw/zinc/90/28/91/1033902891.db2.gz VKGLVMJZZMHGEL-UHFFFAOYSA-N 1 0 393.512 3.759 20 30 GHEDRO Cc1nc(Cl)nc(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)c1C#N ZINC001158092837 1033912024 /nfs/dbraw/zinc/91/20/24/1033912024.db2.gz JWLZBZCWFCNWCV-UHFFFAOYSA-N 1 0 396.804 3.614 20 30 GHEDRO N#Cc1cnc(Cl)cc1N(c1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC001158094352 1033913532 /nfs/dbraw/zinc/91/35/32/1033913532.db2.gz OEIIVKHBSINRSE-UHFFFAOYSA-N 1 0 381.789 3.911 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CCC2(CCCc3ccccc32)CC1 ZINC001158161473 1033944785 /nfs/dbraw/zinc/94/47/85/1033944785.db2.gz VVNNPBHXWFWKOA-QFIPXVFZSA-N 1 0 387.527 3.715 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158166710 1033947969 /nfs/dbraw/zinc/94/79/69/1033947969.db2.gz MLXGDRYWCFQAGC-WKILWMFISA-N 1 0 391.853 3.823 20 30 GHEDRO N#Cc1cc(C(F)(F)N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc(Cl)n1 ZINC001158166876 1033948978 /nfs/dbraw/zinc/94/89/78/1033948978.db2.gz OUKPAQNRWHAUNO-JCNLHEQBSA-N 1 0 391.853 3.823 20 30 GHEDRO Cc1cnc(C[NH3+])n1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001158169904 1033951149 /nfs/dbraw/zinc/95/11/49/1033951149.db2.gz SQAHNZFWERZYTH-UHFFFAOYSA-N 1 0 382.201 3.975 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC001206727552 1033959129 /nfs/dbraw/zinc/95/91/29/1033959129.db2.gz GRRPTFCFPNBXFB-UHFFFAOYSA-N 1 0 375.516 3.770 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3cc(Cl)c(F)cc3F)CC2)C1=O ZINC001276494847 1033997261 /nfs/dbraw/zinc/99/72/61/1033997261.db2.gz BQRPSQDJFSXHOR-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO C[N@@H+]1CCN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)C2(CCCC2)C1 ZINC001158410475 1034065624 /nfs/dbraw/zinc/06/56/24/1034065624.db2.gz OZXRYDZFYKESFI-UHFFFAOYSA-N 1 0 383.883 3.859 20 30 GHEDRO C#C[C@H](NC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001230477884 1034080704 /nfs/dbraw/zinc/08/07/04/1034080704.db2.gz BGUVLKMVKRAHAA-YADHBBJMSA-N 1 0 379.479 3.806 20 30 GHEDRO C=CCN(CC[N@@H+](C[C@H](O)c1ccccc1OC)C(C)C)C(=O)OC(C)(C)C ZINC001207203571 1034170218 /nfs/dbraw/zinc/17/02/18/1034170218.db2.gz JAEFEOSAALJMFN-IBGZPJMESA-N 1 0 392.540 3.862 20 30 GHEDRO C=CCN(CC[N@@H+](C)CCc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C ZINC001207199675 1034170523 /nfs/dbraw/zinc/17/05/23/1034170523.db2.gz PSTYFLDYXQMLEU-UHFFFAOYSA-N 1 0 378.513 3.601 20 30 GHEDRO C=CCN(CC[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001207206190 1034174769 /nfs/dbraw/zinc/17/47/69/1034174769.db2.gz QXPRYVGLTBRLMP-UHFFFAOYSA-N 1 0 397.560 3.741 20 30 GHEDRO C=CCN(CC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001207205790 1034175203 /nfs/dbraw/zinc/17/52/03/1034175203.db2.gz NZVZWJQDYZMAHL-UHFFFAOYSA-N 1 0 397.560 3.789 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)C1 ZINC001207216981 1034184216 /nfs/dbraw/zinc/18/42/16/1034184216.db2.gz XSZSNSILQHKGJW-AZUAARDMSA-N 1 0 385.508 3.658 20 30 GHEDRO C[C@@]1(C[NH3+])CCCN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)C1 ZINC001158683292 1034229706 /nfs/dbraw/zinc/22/97/06/1034229706.db2.gz ZLNXQXUVRUIJKE-SFHVURJKSA-N 1 0 391.853 3.779 20 30 GHEDRO C#CCC1(O)CC[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC001207293700 1034246956 /nfs/dbraw/zinc/24/69/56/1034246956.db2.gz JIGJNJQDOYKLCF-UHFFFAOYSA-N 1 0 391.353 3.790 20 30 GHEDRO C[C@@H]1Cc2cc(Br)ccc2CN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001158902676 1034325757 /nfs/dbraw/zinc/32/57/57/1034325757.db2.gz LNLYXCLKMZQMGG-CYBMUJFWSA-N 1 0 397.320 3.703 20 30 GHEDRO C#CCC[C@H](O)C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001207381222 1034326254 /nfs/dbraw/zinc/32/62/54/1034326254.db2.gz HXKWPSWAURLKEP-KSSFIOAISA-N 1 0 376.294 3.734 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCc1ccc(Br)cc1)C2 ZINC001207381321 1034326727 /nfs/dbraw/zinc/32/67/27/1034326727.db2.gz JCNBDRXNCNPLMR-MOPGFXCFSA-N 1 0 380.326 3.818 20 30 GHEDRO COC(=O)C[C@H](C#N)c1ccc(O[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001230994486 1034332279 /nfs/dbraw/zinc/33/22/79/1034332279.db2.gz HTWNMTAGQZIIGH-WEYGHZABSA-N 1 0 378.472 3.756 20 30 GHEDRO C#C[C@H](C)Oc1cc2c(cc1OC)C[N@@+]1(C)CCc3cc(OC)c(O)cc3[C@@H]1C2 ZINC001231128523 1034415707 /nfs/dbraw/zinc/41/57/07/1034415707.db2.gz WSOOVQLUGADWQB-PCKXHRCSSA-O 1 0 394.491 3.610 20 30 GHEDRO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC001207527859 1034431194 /nfs/dbraw/zinc/43/11/94/1034431194.db2.gz UEPSSNDPIFGRIA-QHCPKHFHSA-N 1 0 388.515 3.749 20 30 GHEDRO COc1ccc(COc2cc(C#N)cc(Nc3cnn([C@@H]4CC[NH2+]C4)c3)c2)cc1 ZINC001159322300 1034543784 /nfs/dbraw/zinc/54/37/84/1034543784.db2.gz MIQPKDLMNXDMRG-HXUWFJFHSA-N 1 0 389.459 3.620 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)C2 ZINC001231523420 1034675482 /nfs/dbraw/zinc/67/54/82/1034675482.db2.gz TWLOJKASRNMJPZ-LJQANCHMSA-N 1 0 382.426 3.944 20 30 GHEDRO COCC[N@H+](Cc1ccccc1C#Cc1ccccc1)C1CCN(C(C)=O)CC1 ZINC001231579036 1034730331 /nfs/dbraw/zinc/73/03/31/1034730331.db2.gz XINFZDGTPJIPGU-UHFFFAOYSA-N 1 0 390.527 3.546 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC001231619155 1034776515 /nfs/dbraw/zinc/77/65/15/1034776515.db2.gz HYMUHTAADBOFTG-NRFANRHFSA-N 1 0 389.499 3.547 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CC1)OC(=O)c1cc(Cl)ccc12 ZINC001231620470 1034777471 /nfs/dbraw/zinc/77/74/71/1034777471.db2.gz BYLKXTJJPKOVDZ-UHFFFAOYSA-N 1 0 382.847 3.882 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1 ZINC001231622662 1034781123 /nfs/dbraw/zinc/78/11/23/1034781123.db2.gz CMWZMXSSQXGOLP-HSZRJFAPSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC001231622996 1034782758 /nfs/dbraw/zinc/78/27/58/1034782758.db2.gz PMJFTWJALKOWFI-QFIPXVFZSA-N 1 0 376.500 3.890 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c1 ZINC001231623103 1034783562 /nfs/dbraw/zinc/78/35/62/1034783562.db2.gz UMCSBSCDVIBCFT-VWNXMTODSA-N 1 0 376.500 3.699 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCN(c3cccc(OCCOC)c3)CC2)c1 ZINC001231624789 1034784730 /nfs/dbraw/zinc/78/47/30/1034784730.db2.gz WGRNPMINBWNNNZ-UHFFFAOYSA-N 1 0 382.504 3.599 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](CC1(c3ccccc3)CCOCC1)CCC2 ZINC001208224371 1034813832 /nfs/dbraw/zinc/81/38/32/1034813832.db2.gz XAMOLVJYTLBXRV-UHFFFAOYSA-N 1 0 381.520 3.540 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)c1 ZINC001231659885 1034816796 /nfs/dbraw/zinc/81/67/96/1034816796.db2.gz VWIZRELDFHLLQN-JTHBVZDNSA-N 1 0 380.463 3.652 20 30 GHEDRO COc1cc(C(F)(F)n2c(CC[NH3+])cc3ccccc32)c(C#N)c(Cl)n1 ZINC001160125624 1034872551 /nfs/dbraw/zinc/87/25/51/1034872551.db2.gz ITXUOKPJVLIJMF-UHFFFAOYSA-N 1 0 376.794 3.669 20 30 GHEDRO CCOC(=O)CCCc1ccc(C#N)cc1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001160223173 1034906928 /nfs/dbraw/zinc/90/69/28/1034906928.db2.gz QWQWFXAFGGEGFG-UHFFFAOYSA-N 1 0 392.503 3.597 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231816766 1034926148 /nfs/dbraw/zinc/92/61/48/1034926148.db2.gz SDNVEXOWBIOJDV-SFHVURJKSA-N 1 0 386.540 3.725 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001231817371 1034926583 /nfs/dbraw/zinc/92/65/83/1034926583.db2.gz ZXGMZTXQQUTLFJ-IBGZPJMESA-N 1 0 398.551 3.725 20 30 GHEDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC001231817306 1034926592 /nfs/dbraw/zinc/92/65/92/1034926592.db2.gz YXTSETGFLVRZMI-UHFFFAOYSA-N 1 0 379.504 3.992 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1 ZINC001231817410 1034926648 /nfs/dbraw/zinc/92/66/48/1034926648.db2.gz ASHBJAJDSRKTNF-HSZRJFAPSA-N 1 0 396.535 3.647 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC001231818420 1034927463 /nfs/dbraw/zinc/92/74/63/1034927463.db2.gz UGFWEMVNPXIKOQ-PKTZIBPZSA-N 1 0 383.536 3.610 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)cc1 ZINC001231819670 1034928191 /nfs/dbraw/zinc/92/81/91/1034928191.db2.gz QMNDLNQEJGTHRW-TZIWHRDSSA-N 1 0 395.576 3.589 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 ZINC001231821732 1034929149 /nfs/dbraw/zinc/92/91/49/1034929149.db2.gz KSBXKSJBYHBJLF-UHFFFAOYSA-N 1 0 394.494 3.570 20 30 GHEDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001231824212 1034931218 /nfs/dbraw/zinc/93/12/18/1034931218.db2.gz FPLATLHCCBFSFI-ZDUSSCGKSA-N 1 0 375.284 3.670 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC001160418274 1034967613 /nfs/dbraw/zinc/96/76/13/1034967613.db2.gz UVINJPXFLAPVSK-UHFFFAOYSA-N 1 0 377.757 3.798 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)cc(C#N)cc1C)c1cccc(OC)c1 ZINC001160458859 1034980712 /nfs/dbraw/zinc/98/07/12/1034980712.db2.gz RKDSFYNNOHNTLF-OAQYLSRUSA-N 1 0 379.504 3.997 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](C[C@H](C)c3cccc4ccccc43)CC2)C1=O ZINC001208712971 1034989424 /nfs/dbraw/zinc/98/94/24/1034989424.db2.gz ZWXKFLGHEHHEPM-FQEVSTJZSA-N 1 0 391.559 3.738 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](CCOCCOCc2ccccc2)CC1 ZINC001208750864 1034997344 /nfs/dbraw/zinc/99/73/44/1034997344.db2.gz SYCMNBXCYMPLCH-UHFFFAOYSA-N 1 0 380.488 3.635 20 30 GHEDRO N#Cc1ccc(OC2CCN(C(=O)C34CCC([NH3+])(CC3)CC4)CC2)cc1Cl ZINC001160750504 1035055868 /nfs/dbraw/zinc/05/58/68/1035055868.db2.gz JEUQTSICTANNMJ-UHFFFAOYSA-N 1 0 387.911 3.633 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC001208851619 1035057924 /nfs/dbraw/zinc/05/79/24/1035057924.db2.gz AVYASUSYLCLAQU-NRFANRHFSA-N 1 0 397.473 3.519 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC001208852106 1035057980 /nfs/dbraw/zinc/05/79/80/1035057980.db2.gz UMCZDCKWHISJSC-ISKFKSNPSA-N 1 0 391.515 3.836 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](CCCc4ccc(C#N)cc4)C3)C2=O)c1 ZINC001208859587 1035062435 /nfs/dbraw/zinc/06/24/35/1035062435.db2.gz RNFRCCQCKPJRIA-RUZDIDTESA-N 1 0 387.527 3.924 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1 ZINC001208859173 1035062824 /nfs/dbraw/zinc/06/28/24/1035062824.db2.gz MLCHIAQREMMHBE-UHFFFAOYSA-N 1 0 395.572 3.919 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)cc1 ZINC001208861183 1035063371 /nfs/dbraw/zinc/06/33/71/1035063371.db2.gz FJKUKCVVGRUWGN-BJKOFHAPSA-N 1 0 398.547 3.558 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4ccc(C#N)c(Cl)c4)CC[N@@H+]3C2)cc1 ZINC001232120544 1035107809 /nfs/dbraw/zinc/10/78/09/1035107809.db2.gz URYZBWIBRREBOA-TZIWHRDSSA-N 1 0 381.907 3.858 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001160994391 1035114476 /nfs/dbraw/zinc/11/44/76/1035114476.db2.gz VJAFACFRXGQVAF-UEVCKROQSA-N 1 0 387.527 3.862 20 30 GHEDRO C#CC[C@]1(C(=O)N(C)[C@@H](C)[C@H](Oc2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC001160998232 1035116334 /nfs/dbraw/zinc/11/63/34/1035116334.db2.gz RGWCZIIHCFFMMZ-NGYIFUPDSA-N 1 0 376.500 3.799 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](CCCCCNC(=O)OC(C)(C)C)CCO2 ZINC001209372723 1035258493 /nfs/dbraw/zinc/25/84/93/1035258493.db2.gz HDTQDBONJFFNHJ-DENIHFKCSA-N 1 0 396.572 3.755 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC([NH3+])(CC4CCC4)CC3)nn2)cc1 ZINC001161569975 1035260580 /nfs/dbraw/zinc/26/05/80/1035260580.db2.gz RZVRKMYWVSBXME-HXUWFJFHSA-N 1 0 375.520 3.928 20 30 GHEDRO N#Cc1ncc(Cl)nc1NCC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001161577372 1035262786 /nfs/dbraw/zinc/26/27/86/1035262786.db2.gz JVNJSBSWMSBCQX-UHFFFAOYSA-N 1 0 395.816 3.754 20 30 GHEDRO C#C[C@](C)([NH3+])C(=O)N([C@H](C)c1ccccc1)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001161603652 1035271043 /nfs/dbraw/zinc/27/10/43/1035271043.db2.gz IEYMCIHDQZLTHX-QBTGUUFSSA-N 1 0 376.500 3.675 20 30 GHEDRO C=CCCCCC[N@@H+]1CC[C@@H]2CN(CCc3ccccc3)S(=O)(=O)[C@@H]2CC1 ZINC001209422464 1035271994 /nfs/dbraw/zinc/27/19/94/1035271994.db2.gz BMANCSRBPXNAQI-FGZHOGPDSA-N 1 0 390.593 3.702 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccnc2)C1 ZINC001209442525 1035275231 /nfs/dbraw/zinc/27/52/31/1035275231.db2.gz WOHXEQHFMUSNCR-FYYLOGMGSA-N 1 0 385.552 3.705 20 30 GHEDRO N#Cc1c(N[C@H](c2ccc(C(F)(F)F)cn2)C2CC2)ncc2c1CCC[NH2+]C2 ZINC001161776535 1035298771 /nfs/dbraw/zinc/29/87/71/1035298771.db2.gz HNSYUETUYRBFHA-SFHVURJKSA-N 1 0 387.409 3.966 20 30 GHEDRO CSc1nc(Cl)c(C#N)c(Nc2ccc(Br)cc2C[NH3+])n1 ZINC001161851975 1035315118 /nfs/dbraw/zinc/31/51/18/1035315118.db2.gz SHPUWGGETSTYOZ-UHFFFAOYSA-N 1 0 384.690 3.688 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(C)[nH]c4ncccc43)C2)CC1 ZINC001209587849 1035319864 /nfs/dbraw/zinc/31/98/64/1035319864.db2.gz ZGRSVEKDXQPBPY-UHFFFAOYSA-N 1 0 382.508 3.872 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209592144 1035321299 /nfs/dbraw/zinc/32/12/99/1035321299.db2.gz GIRPNOWCSCEUHF-HXUWFJFHSA-N 1 0 388.899 3.827 20 30 GHEDRO CCOc1cc(C(=O)OC)ccc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001209685671 1035355093 /nfs/dbraw/zinc/35/50/93/1035355093.db2.gz RGIKINWLGVRRGD-FQEVSTJZSA-N 1 0 394.471 3.787 20 30 GHEDRO COc1ccc2cccc(-c3noc(C[C@H]([NH3+])Cc4cccc(C#N)c4)n3)c2c1 ZINC001248155581 1035581298 /nfs/dbraw/zinc/58/12/98/1035581298.db2.gz SKHBFYVMDMVAGU-GOSISDBHSA-N 1 0 384.439 3.883 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cc(F)cc(C(F)(F)F)c3)no2)cc1 ZINC001248156202 1035583157 /nfs/dbraw/zinc/58/31/57/1035583157.db2.gz PQNGXWQIBRVMPS-MRXNPFEDSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(F)cc3C(F)(F)F)no2)cc1 ZINC001248156599 1035583309 /nfs/dbraw/zinc/58/33/09/1035583309.db2.gz IDBHYGFTENOONM-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO CCN(CC)c1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1 ZINC001248159972 1035586651 /nfs/dbraw/zinc/58/66/51/1035586651.db2.gz ZODSOJHWDVZZMP-IBGZPJMESA-N 1 0 375.476 3.567 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(CC2(C[NH3+])CCCCC2)n1 ZINC001248299372 1035736720 /nfs/dbraw/zinc/73/67/20/1035736720.db2.gz SILQLSWAICANDA-UHFFFAOYSA-N 1 0 375.270 3.822 20 30 GHEDRO C=CCCCC[N@@H+](C)Cc1cc(I)cc(OC)c1O ZINC001248405241 1035819978 /nfs/dbraw/zinc/81/99/78/1035819978.db2.gz CDLLQRBMVRMWMT-UHFFFAOYSA-N 1 0 375.250 3.794 20 30 GHEDRO COc1ccc(OC(F)(F)F)cc1-c1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001242320745 1035885340 /nfs/dbraw/zinc/88/53/40/1035885340.db2.gz TWIRDESPXXAHNI-UHFFFAOYSA-N 1 0 377.366 3.542 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001248749885 1036106223 /nfs/dbraw/zinc/10/62/23/1036106223.db2.gz PBIOIJGBCNTPLT-BJKOFHAPSA-N 1 0 391.515 3.856 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC001248753083 1036110010 /nfs/dbraw/zinc/11/00/10/1036110010.db2.gz QKNBZWOROCQBNP-UHFFFAOYSA-N 1 0 377.488 3.524 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001248751275 1036110757 /nfs/dbraw/zinc/11/07/57/1036110757.db2.gz QNZVENHKQYVTMF-NRFANRHFSA-N 1 0 397.473 3.648 20 30 GHEDRO C[N@@H+]1CCN(C(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)C2(CCCC2)C1 ZINC001245772274 1036993382 /nfs/dbraw/zinc/99/33/82/1036993382.db2.gz SAKNCEJEDJEOSK-UHFFFAOYSA-N 1 0 382.455 3.834 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN[C@@H]1CC[NH2+][C@@H]1C ZINC001245985144 1037107735 /nfs/dbraw/zinc/10/77/35/1037107735.db2.gz SXPKDGUMTFPXTB-BHIFYINESA-N 1 0 386.621 3.641 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246274073 1037270768 /nfs/dbraw/zinc/27/07/68/1037270768.db2.gz REHLXAGCBPFTNN-SXSPYAJSSA-N 1 0 391.515 3.538 20 30 GHEDRO CCCCCCCCOC(=O)[C@H](N)Cc1cn([C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001246282401 1037275807 /nfs/dbraw/zinc/27/58/07/1037275807.db2.gz BOTMOWMSFUPYPK-TZIWHRDSSA-N 1 0 385.552 3.949 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246481348 1037428068 /nfs/dbraw/zinc/42/80/68/1037428068.db2.gz HGRVDLQMDSUJGR-SHJAMOMRSA-N 1 0 388.552 3.623 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCN[C@@H](c4ccccc4)C3)C2)C1 ZINC001246546896 1037473671 /nfs/dbraw/zinc/47/36/71/1037473671.db2.gz FGFFCHTVRZCZEI-MQSCRBSSSA-N 1 0 383.536 3.590 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)CN1 ZINC001246888073 1037703148 /nfs/dbraw/zinc/70/31/48/1037703148.db2.gz RDNYACHDMKNMAM-LEOXJPRUSA-N 1 0 391.515 3.805 20 30 GHEDRO C#CCOc1ccc(-c2nc3cc(F)ccc3n2C2CC[NH2+]CC2)cc1OC ZINC001247026821 1037848272 /nfs/dbraw/zinc/84/82/72/1037848272.db2.gz RSCFWKIYTPAQPF-UHFFFAOYSA-N 1 0 379.435 3.788 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(C[C@H]([NH3+])Cc2ccsc2)n1 ZINC001247165713 1037959186 /nfs/dbraw/zinc/95/91/86/1037959186.db2.gz NQHQHOUTGOYUHQ-CYBMUJFWSA-N 1 0 389.278 3.545 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(O)c3ncccc23)CC1 ZINC001232278084 1038007422 /nfs/dbraw/zinc/00/74/22/1038007422.db2.gz ZFLZRZVCPWMMIT-UHFFFAOYSA-N 1 0 389.455 3.864 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cc(OCc3ccccc3)no1)C2 ZINC001232447238 1038228611 /nfs/dbraw/zinc/22/86/11/1038228611.db2.gz PBVKQWAKQQDAEY-QHCPKHFHSA-N 1 0 395.503 3.787 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)c(CC)s1)CC2 ZINC001277681981 1038331020 /nfs/dbraw/zinc/33/10/20/1038331020.db2.gz XVCXXJCWTXCXBW-CQSZACIVSA-N 1 0 397.382 3.977 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)C2 ZINC001232577269 1038347307 /nfs/dbraw/zinc/34/73/07/1038347307.db2.gz FUXLIIPKUWBPFA-NRFANRHFSA-N 1 0 390.911 3.660 20 30 GHEDRO C=CCCCNC(=S)N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001247729988 1038350603 /nfs/dbraw/zinc/35/06/03/1038350603.db2.gz OOTNYZFXYXAHCB-UHFFFAOYSA-N 1 0 387.593 3.503 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)cc1Cl)C2 ZINC001232598316 1038375960 /nfs/dbraw/zinc/37/59/60/1038375960.db2.gz VAFDONKXVJWFOP-PZJWPPBQSA-N 1 0 387.911 3.852 20 30 GHEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001232606565 1038390022 /nfs/dbraw/zinc/39/00/22/1038390022.db2.gz RHNGTPRNFKYGIN-QFIPXVFZSA-N 1 0 397.881 3.975 20 30 GHEDRO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(CCCCCC)s3)C2)OCC1=O ZINC001277703806 1038509031 /nfs/dbraw/zinc/50/90/31/1038509031.db2.gz HDFSCTBNJFNFFB-NRFANRHFSA-N 1 0 376.566 3.860 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc4ncsc43)CC2)cc1 ZINC001232735870 1038526337 /nfs/dbraw/zinc/52/63/37/1038526337.db2.gz AWARMLSWRFBOPK-UHFFFAOYSA-N 1 0 391.500 3.954 20 30 GHEDRO N#Cc1ccc(F)cc1CN1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001232890490 1038675329 /nfs/dbraw/zinc/67/53/29/1038675329.db2.gz GETUQFPEEWSRHQ-UNMCSNQZSA-N 1 0 399.441 3.682 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001277736026 1038713761 /nfs/dbraw/zinc/71/37/61/1038713761.db2.gz ZOGSATBMKINWAD-AEFFLSMTSA-N 1 0 378.479 3.727 20 30 GHEDRO Cc1nc(CN2CCC3(CC[NH+](Cc4ccc(C)cc4C#N)CC3)C2=O)cs1 ZINC001232964174 1038737573 /nfs/dbraw/zinc/73/75/73/1038737573.db2.gz RAFGSRIDDAHRPH-UHFFFAOYSA-N 1 0 394.544 3.646 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001233080138 1038848393 /nfs/dbraw/zinc/84/83/93/1038848393.db2.gz SXOXLJCDLOZRND-QHCPKHFHSA-N 1 0 399.535 3.716 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC001252121706 1038867852 /nfs/dbraw/zinc/86/78/52/1038867852.db2.gz KTIVOTWKZVBOLR-NRFANRHFSA-N 1 0 387.568 3.526 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001252126291 1038875386 /nfs/dbraw/zinc/87/53/86/1038875386.db2.gz OJSDIHCOQQYTRF-IFMALSPDSA-N 1 0 377.573 3.853 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001252127569 1038878275 /nfs/dbraw/zinc/87/82/75/1038878275.db2.gz BXJWTODYVASZIX-CEXWTWQISA-N 1 0 393.597 3.649 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001252140156 1038889527 /nfs/dbraw/zinc/88/95/27/1038889527.db2.gz LTABXKHIWXNCEG-ZLNRFVROSA-N 1 0 376.585 3.571 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CC1CCN(C(=O)c2ccncc2)CC1 ZINC001252139089 1038890326 /nfs/dbraw/zinc/89/03/26/1038890326.db2.gz JBXLSOCUJQVUBH-NRFANRHFSA-N 1 0 375.557 3.635 20 30 GHEDRO C[C@@H]([NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC001252333915 1038945740 /nfs/dbraw/zinc/94/57/40/1038945740.db2.gz FMBYLUBXDMQJDL-BFUOFWGJSA-N 1 0 391.393 3.617 20 30 GHEDRO C[C@@](O)(C[NH2+]CCC1=CCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339535 1038946708 /nfs/dbraw/zinc/94/67/08/1038946708.db2.gz HXKNZEKFLHAPNV-LJQANCHMSA-N 1 0 395.425 3.747 20 30 GHEDRO C[C@](O)(C[NH2+][C@@H]1CCCC12CCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252344592 1038948531 /nfs/dbraw/zinc/94/85/31/1038948531.db2.gz GNMXPUDBJSLBIP-AEFFLSMTSA-N 1 0 395.425 3.579 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CC2CCC1CC2 ZINC001252513624 1039013566 /nfs/dbraw/zinc/01/35/66/1039013566.db2.gz BOULHZVGWXWJEX-KDFVNGPGSA-N 1 0 382.552 3.846 20 30 GHEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC001252553278 1039031677 /nfs/dbraw/zinc/03/16/77/1039031677.db2.gz VNWDNIQKJYVOGV-JOCHJYFZSA-N 1 0 380.467 3.652 20 30 GHEDRO C=CCC[C@@H](O)CNc1ccc(C(=O)OCC[NH+](CC)CC)c(OCCC)c1 ZINC001252612538 1039049389 /nfs/dbraw/zinc/04/93/89/1039049389.db2.gz POYPCWBFZGMEPD-LJQANCHMSA-N 1 0 392.540 3.713 20 30 GHEDRO COC(=O)/C=C/c1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001233299997 1039093424 /nfs/dbraw/zinc/09/34/24/1039093424.db2.gz XHFDSOFXTMVKCV-LEQVUBRHSA-N 1 0 376.456 3.788 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c(F)ccc(O)c3F)C[C@@H]2c2ccccc2)C1=O ZINC001233394784 1039227318 /nfs/dbraw/zinc/22/73/18/1039227318.db2.gz ZUECLDUNHIILJN-JPYJTQIMSA-N 1 0 398.453 3.675 20 30 GHEDRO N#Cc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1N1CCCCC1 ZINC001252937646 1039279053 /nfs/dbraw/zinc/27/90/53/1039279053.db2.gz JGLDDNRYWBUUJI-DEOSSOPVSA-N 1 0 390.531 3.597 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001252984204 1039311677 /nfs/dbraw/zinc/31/16/77/1039311677.db2.gz DTHHEWCIHYNYPO-VXKWHMMOSA-N 1 0 382.589 3.591 20 30 GHEDRO CCOC(=O)c1cn2cccc(C[NH+]3CCC(C#Cc4ccccc4)CC3)c2n1 ZINC001233460411 1039351559 /nfs/dbraw/zinc/35/15/59/1039351559.db2.gz YXJSUIOCHQJHNY-UHFFFAOYSA-N 1 0 387.483 3.775 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1 ZINC001462360344 1070199879 /nfs/dbraw/zinc/19/98/79/1070199879.db2.gz KSAOYDFXZIDFFB-UHFFFAOYSA-N 1 0 395.478 3.622 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1=S ZINC001253086635 1039415087 /nfs/dbraw/zinc/41/50/87/1039415087.db2.gz PZYMQQCZGPQHGS-LJQANCHMSA-N 1 0 383.565 3.703 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001253234591 1039488329 /nfs/dbraw/zinc/48/83/29/1039488329.db2.gz CKJSGXUVSNJQPG-JOCHJYFZSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001253238647 1039494870 /nfs/dbraw/zinc/49/48/70/1039494870.db2.gz SVXMYBNRJAWLSC-IBGZPJMESA-N 1 0 375.557 3.592 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3cccc(OC(F)(F)F)c3O)CC2)c(F)c1 ZINC001233768052 1039602602 /nfs/dbraw/zinc/60/26/02/1039602602.db2.gz KAUDHZLXUDWPSA-UHFFFAOYSA-N 1 0 395.356 3.624 20 30 GHEDRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccccc2OC2CC(C#N)C2)CC1 ZINC001233825165 1039647131 /nfs/dbraw/zinc/64/71/31/1039647131.db2.gz XFUQYNPGZJFCHF-UHFFFAOYSA-N 1 0 385.508 3.857 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CC(C)(CO)C1 ZINC001253616054 1039726795 /nfs/dbraw/zinc/72/67/95/1039726795.db2.gz QJLHFOLYVVUEDA-OAQYLSRUSA-N 1 0 387.605 3.616 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CCC(O)CC1 ZINC001253615232 1039726438 /nfs/dbraw/zinc/72/64/38/1039726438.db2.gz DNCCQBKTTKSCQN-JOCHJYFZSA-N 1 0 387.605 3.758 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CC2(CC(O)C2)C1 ZINC001253616310 1039726755 /nfs/dbraw/zinc/72/67/55/1039726755.db2.gz RVQXBXMQHPTKRG-QFIPXVFZSA-N 1 0 399.616 3.758 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)ccc1-n1ccnc1 ZINC001234076501 1039817026 /nfs/dbraw/zinc/81/70/26/1039817026.db2.gz YRGILOLHKJMWNP-OAQYLSRUSA-N 1 0 388.471 3.796 20 30 GHEDRO CCCCCCCC[N@H+](C)C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253869665 1039870571 /nfs/dbraw/zinc/87/05/71/1039870571.db2.gz LNCWHMXLUHLKTR-WOJBJXKFSA-N 1 0 380.483 3.799 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@H]4CC5(CO4)CC[NH2+]CC5)nn3)cc2)cc1 ZINC001254063288 1039980543 /nfs/dbraw/zinc/98/05/43/1039980543.db2.gz PYJMGNYGJLMWKT-HSZRJFAPSA-N 1 0 398.510 3.752 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@H]4C[C@]5(CO4)CCCC[NH2+]5)nn3)cc2)cc1 ZINC001254066777 1039981300 /nfs/dbraw/zinc/98/13/00/1039981300.db2.gz FDINSXXMYHUSND-NOZRDPDXSA-N 1 0 398.510 3.895 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@@H]4C[C@@]5(CO4)CCC[NH2+]C5)nn3)cc2)cc1 ZINC001254067398 1039981480 /nfs/dbraw/zinc/98/14/80/1039981480.db2.gz ICGBITBDLILROB-ZCYQVOJMSA-N 1 0 398.510 3.752 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@H]2C[C@@]3(CO2)CCCC[NH2+]3)cc1 ZINC001254068124 1039981624 /nfs/dbraw/zinc/98/16/24/1039981624.db2.gz MISMYKDAMUOMSY-RCZVLFRGSA-N 1 0 398.510 3.895 20 30 GHEDRO N#Cc1cccc2nc(=O)[nH]c(O[C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)c12 ZINC001234514686 1040093443 /nfs/dbraw/zinc/09/34/43/1040093443.db2.gz ZBMNUGYVCPPQHX-INIZCTEOSA-N 1 0 380.835 3.514 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2cn(Cc3ccccn3)cn2)CC1 ZINC001254349996 1040183013 /nfs/dbraw/zinc/18/30/13/1040183013.db2.gz DHHJTRRQDXFWCD-UHFFFAOYSA-N 1 0 389.478 3.959 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC2CCN(c3cnccn3)CC2)CC1 ZINC001254351485 1040184715 /nfs/dbraw/zinc/18/47/15/1040184715.db2.gz ZHOTZTGSCAUBPI-UHFFFAOYSA-N 1 0 393.510 3.826 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC1 ZINC001254357498 1040190155 /nfs/dbraw/zinc/19/01/55/1040190155.db2.gz HLGXQLQWOTUXHL-PUINSQEDSA-N 1 0 384.495 3.655 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)CC2 ZINC001254626146 1040402551 /nfs/dbraw/zinc/40/25/51/1040402551.db2.gz OPSFMCZXRGUIIO-QHCPKHFHSA-N 1 0 385.527 3.828 20 30 GHEDRO CCC[N@H+]([C@H](C)C(=O)Nc1c(C)csc1C(=O)OC)[C@@H]1CC[C@H](C#N)C1 ZINC001254669272 1040428947 /nfs/dbraw/zinc/42/89/47/1040428947.db2.gz QCNNZRZSCJTABU-QLFBSQMISA-N 1 0 377.510 3.574 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(OCC)OCC)cc2)C1 ZINC001234925832 1040434499 /nfs/dbraw/zinc/43/44/99/1040434499.db2.gz WJZVYKOOOYBBIJ-IBGZPJMESA-N 1 0 376.497 3.635 20 30 GHEDRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001235021187 1040512978 /nfs/dbraw/zinc/51/29/78/1040512978.db2.gz WUEVWTWAFWLNQF-UHFFFAOYSA-N 1 0 386.499 3.685 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(-c4nnc(C)o4)cc3)C2)C1 ZINC001235043416 1040535340 /nfs/dbraw/zinc/53/53/40/1040535340.db2.gz DTRRVODFFXNNNV-JOCHJYFZSA-N 1 0 396.491 3.656 20 30 GHEDRO N#Cc1ccccc1N1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255137995 1040842353 /nfs/dbraw/zinc/84/23/53/1040842353.db2.gz ZNQQRBSJLOOMOU-BKFWDETESA-N 1 0 386.543 3.876 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1Cl ZINC001235371371 1040877708 /nfs/dbraw/zinc/87/77/08/1040877708.db2.gz QJXYCSGTWKNTHK-YWZLYKJASA-N 1 0 386.952 3.609 20 30 GHEDRO CC[C@@H](CC#N)[NH2+]CC1(Cc2ccccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255162788 1040881138 /nfs/dbraw/zinc/88/11/38/1040881138.db2.gz YYFNWZXYYJNCCD-SFHVURJKSA-N 1 0 386.540 3.923 20 30 GHEDRO CC[C@H](CC#N)[NH2+]CC1(Cc2cccnc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255162206 1040881640 /nfs/dbraw/zinc/88/16/40/1040881640.db2.gz JZPHMHOIZFNEDK-LJQANCHMSA-N 1 0 386.540 3.923 20 30 GHEDRO CC[C@@H](CC#N)[NH+]1CCC2(C[C@@H](COCC3CC3)N(C(=O)c3ccco3)C2)CC1 ZINC001255167959 1040883370 /nfs/dbraw/zinc/88/33/70/1040883370.db2.gz LEBJQOHUDZMWIC-PMACEKPBSA-N 1 0 399.535 3.695 20 30 GHEDRO COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC001462501619 1070305571 /nfs/dbraw/zinc/30/55/71/1070305571.db2.gz AHOVWOMRVQZILA-RXOYHEDQSA-N 1 0 375.516 3.945 20 30 GHEDRO C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC001235475759 1040953189 /nfs/dbraw/zinc/95/31/89/1040953189.db2.gz MZPOINKKKWJRPH-YADHBBJMSA-N 1 0 375.516 3.961 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001235518973 1040973333 /nfs/dbraw/zinc/97/33/33/1040973333.db2.gz PVEKIXGXPPGZOQ-JTHBVZDNSA-N 1 0 395.478 3.737 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC001235526766 1040975466 /nfs/dbraw/zinc/97/54/66/1040975466.db2.gz FWBMPXWRJYSZJA-UHFFFAOYSA-N 1 0 381.907 3.934 20 30 GHEDRO COCCC[N@H+](Cc1ccccc1CC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001235528547 1040976076 /nfs/dbraw/zinc/97/60/76/1040976076.db2.gz RDXUANCJLNOMSZ-HXUWFJFHSA-N 1 0 387.524 3.601 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC001255467055 1041067954 /nfs/dbraw/zinc/06/79/54/1041067954.db2.gz LVQUDIGEEZCLCT-UHFFFAOYSA-N 1 0 398.304 3.991 20 30 GHEDRO N#Cc1cc(F)c(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(F)c1 ZINC001235653260 1041098439 /nfs/dbraw/zinc/09/84/39/1041098439.db2.gz GMOBIHCCXOGFNE-JOCHJYFZSA-N 1 0 399.416 3.600 20 30 GHEDRO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001255873390 1041368098 /nfs/dbraw/zinc/36/80/98/1041368098.db2.gz PUFXYFAFMHCOLX-SBUREZEXSA-N 1 0 377.463 3.757 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH2+]C[C@H]3Cc3ccccc3)cn2)cc1 ZINC001235857878 1041385364 /nfs/dbraw/zinc/38/53/64/1041385364.db2.gz ZYXFURKBANERMN-JOCHJYFZSA-N 1 0 384.483 3.762 20 30 GHEDRO N#Cc1cc(-c2cc(C(F)(F)F)ccc2CO)ccc1OC1CC[NH2+]CC1 ZINC001236060710 1041517114 /nfs/dbraw/zinc/51/71/14/1041517114.db2.gz UGFWSYRNEHNDJC-UHFFFAOYSA-N 1 0 376.378 3.867 20 30 GHEDRO C[C@@H]1CN(Cc2cc(Oc3ccc(C#N)cc3)ccc2Br)C[C@@H]1[NH3+] ZINC001236093941 1041531267 /nfs/dbraw/zinc/53/12/67/1041531267.db2.gz QCELQSDLMYPDHK-YJYMSZOUSA-N 1 0 386.293 3.892 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCc3cccc(Br)c3C2)C1 ZINC001256138238 1041574104 /nfs/dbraw/zinc/57/41/04/1041574104.db2.gz BATUCQWGXHKMFO-HZPDHXFCSA-N 1 0 393.325 3.683 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2cc(C#N)c(F)cc2F)C1 ZINC001236154948 1041577418 /nfs/dbraw/zinc/57/74/18/1041577418.db2.gz VNLNXKDMFGBJNJ-QGZVFWFLSA-N 1 0 381.543 3.703 20 30 GHEDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC001256211964 1041651079 /nfs/dbraw/zinc/65/10/79/1041651079.db2.gz FXVQLCFTGAJXNQ-SFHVURJKSA-N 1 0 389.503 3.930 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001256231814 1041667198 /nfs/dbraw/zinc/66/71/98/1041667198.db2.gz GDIAJELAWIKKDP-HXUWFJFHSA-N 1 0 386.565 3.815 20 30 GHEDRO COc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1Cl ZINC001237188243 1042084519 /nfs/dbraw/zinc/08/45/19/1042084519.db2.gz HGPFAAOZNZHIFY-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)ccc2[nH]1 ZINC001237319017 1042145387 /nfs/dbraw/zinc/14/53/87/1042145387.db2.gz HFTQPHGYTNDZOV-FQEVSTJZSA-N 1 0 389.455 3.870 20 30 GHEDRO COc1cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)ccc1C#N ZINC001278088267 1042170280 /nfs/dbraw/zinc/17/02/80/1042170280.db2.gz VOKVKLBHHBKSBS-RCCFBDPRSA-N 1 0 377.488 3.690 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(Cl)[nH]c3cnccc31)C2 ZINC001237456137 1042215778 /nfs/dbraw/zinc/21/57/78/1042215778.db2.gz ZFFMBLNKRZEOJP-AZUAARDMSA-N 1 0 375.900 3.790 20 30 GHEDRO Cn1cc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c2cc(C#N)ccc21 ZINC001237468148 1042221308 /nfs/dbraw/zinc/22/13/08/1042221308.db2.gz HTCUWDLIIZUNGT-UHFFFAOYSA-N 1 0 383.455 3.701 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3c(Cl)c4ccccc4[nH]c3=O)CC2)nc1 ZINC001237498247 1042236692 /nfs/dbraw/zinc/23/66/92/1042236692.db2.gz VLMHPTYMVRQQJG-UHFFFAOYSA-N 1 0 393.878 3.573 20 30 GHEDRO CCN(Cc1cc(C#N)c(F)cc1F)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237535691 1042254637 /nfs/dbraw/zinc/25/46/37/1042254637.db2.gz CPHLBPPDGPUQKN-FQEVSTJZSA-N 1 0 385.458 3.559 20 30 GHEDRO N#Cc1ccc2nc(C[NH+]3CCC4(CC3)OCc3ccc(Cl)cc34)cn2c1 ZINC001237605878 1042278938 /nfs/dbraw/zinc/27/89/38/1042278938.db2.gz FEAOZVJLGCXVCE-UHFFFAOYSA-N 1 0 378.863 3.881 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)c1 ZINC001237750410 1042352753 /nfs/dbraw/zinc/35/27/53/1042352753.db2.gz KFWDRTHAKRKPDR-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccccc1C(=O)OCC)[C@@H]2CC ZINC001237886265 1042410010 /nfs/dbraw/zinc/41/00/10/1042410010.db2.gz XYIYBDCKFWBFHU-OFNKIYASSA-N 1 0 384.520 3.785 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c(Cl)c1 ZINC001238081945 1042485007 /nfs/dbraw/zinc/48/50/07/1042485007.db2.gz CWQPVTLYDDUVPL-IBGZPJMESA-N 1 0 383.879 3.809 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)ccc1Cl ZINC001238190993 1042514437 /nfs/dbraw/zinc/51/44/37/1042514437.db2.gz HJUUNDWPPQRSBQ-UHFFFAOYSA-N 1 0 385.895 3.672 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)ccc1Cl ZINC001238191038 1042514803 /nfs/dbraw/zinc/51/48/03/1042514803.db2.gz OHQIDLYBVLBYID-UHFFFAOYSA-N 1 0 394.906 3.764 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ncc(OC)cc1Cl)CC2 ZINC001238481757 1042612539 /nfs/dbraw/zinc/61/25/39/1042612539.db2.gz FXMNTUKOLKAUPX-UHFFFAOYSA-N 1 0 393.915 3.744 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cnc1C1CC1 ZINC001238621880 1042662155 /nfs/dbraw/zinc/66/21/55/1042662155.db2.gz MWCYHVKPJKDRGY-DEOSSOPVSA-N 1 0 386.499 3.768 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc(OCC)c2Br)C1 ZINC001238689624 1042685739 /nfs/dbraw/zinc/68/57/39/1042685739.db2.gz JOAGSZFSMPEUKC-OAHLLOKOSA-N 1 0 397.313 3.724 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(OCC)ncc1F)CC2 ZINC001238728668 1042705571 /nfs/dbraw/zinc/70/55/71/1042705571.db2.gz JATQEEQFUOLKOO-UHFFFAOYSA-N 1 0 391.487 3.620 20 30 GHEDRO CCc1cc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)ccc1C#N ZINC001238763966 1042719767 /nfs/dbraw/zinc/71/97/67/1042719767.db2.gz YFDZTHBQXRVAJY-XMMPIXPASA-N 1 0 388.515 3.673 20 30 GHEDRO O=C(NC[C@H]1C[NH2+]CC[C@@H]1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239228497 1042790496 /nfs/dbraw/zinc/79/04/96/1042790496.db2.gz XZUGTKKMOPVSAR-PELKAZGASA-N 1 0 387.299 3.793 20 30 GHEDRO CCCCCCCNC(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001239230751 1042791547 /nfs/dbraw/zinc/79/15/47/1042791547.db2.gz UEMVGHXWLDRUPL-WOJBJXKFSA-N 1 0 389.540 3.715 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC001239359933 1042812772 /nfs/dbraw/zinc/81/27/72/1042812772.db2.gz CLYPJZXIMMFVNA-CYBMUJFWSA-N 1 0 393.354 3.529 20 30 GHEDRO CCN(CC)C(=O)c1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239890509 1042856699 /nfs/dbraw/zinc/85/66/99/1042856699.db2.gz FZEMYHRXHPONSU-UHFFFAOYSA-N 1 0 377.488 3.838 20 30 GHEDRO COC(=O)c1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ccc1OC(F)(F)F ZINC001240356088 1042923157 /nfs/dbraw/zinc/92/31/57/1042923157.db2.gz NLUGANKYNDUBPV-UHFFFAOYSA-N 1 0 376.334 3.597 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001240851797 1042958823 /nfs/dbraw/zinc/95/88/23/1042958823.db2.gz YBNFRAMVMGXWRC-KODJDXEOSA-N 1 0 398.576 3.690 20 30 GHEDRO C[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCC2)C1 ZINC001291046369 1043052568 /nfs/dbraw/zinc/05/25/68/1043052568.db2.gz PUXBGAZRGBTLJM-OALUTQOASA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC001291105614 1043081932 /nfs/dbraw/zinc/08/19/32/1043081932.db2.gz LHFVSCUDXIOTMJ-ROUUACIJSA-N 1 0 392.551 3.784 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001291441164 1043257654 /nfs/dbraw/zinc/25/76/54/1043257654.db2.gz FYGFLNFFOCJLPU-YLJYHZDGSA-N 1 0 392.551 3.784 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256540585 1043490036 /nfs/dbraw/zinc/49/00/36/1043490036.db2.gz GOLVQZKMCZPQQX-PZJWPPBQSA-N 1 0 394.563 3.534 20 30 GHEDRO CCc1ccc([C@@H](Cn2c(C)nnc2N(CCC#N)CC2CC2)[NH+](C)C)cc1 ZINC001292456370 1043741880 /nfs/dbraw/zinc/74/18/80/1043741880.db2.gz DGCSCUATGXSVNW-OAQYLSRUSA-N 1 0 380.540 3.582 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@H](C(F)(F)F)C1 ZINC001256959469 1043773066 /nfs/dbraw/zinc/77/30/66/1043773066.db2.gz FXJROCDBXMUJRM-NEXFUWMNSA-N 1 0 375.435 3.846 20 30 GHEDRO COc1ccc(CN2CC[C@@]3(CCC[N@@H+](C4CCC(C#N)CC4)C3)C2=O)cc1 ZINC001256966687 1043775637 /nfs/dbraw/zinc/77/56/37/1043775637.db2.gz NAENHZOKEFHOAX-KXNZUKPASA-N 1 0 381.520 3.592 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CCC(CC(=O)OC)CC1)CC2 ZINC001256980550 1043782345 /nfs/dbraw/zinc/78/23/45/1043782345.db2.gz AAXQCCZNEBCRSK-UHFFFAOYSA-N 1 0 392.540 3.609 20 30 GHEDRO COc1ccc(S(C)(=O)=O)c(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001257015638 1043800415 /nfs/dbraw/zinc/80/04/15/1043800415.db2.gz MOHPHCJVYRYSAP-UHFFFAOYSA-N 1 0 398.528 3.786 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCC(=O)OCCCC)[C@H]2CC ZINC001257397871 1043984692 /nfs/dbraw/zinc/98/46/92/1043984692.db2.gz WUEZSKDNTQTZPD-DXIQSLLYSA-N 1 0 378.557 3.920 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC(C#N)CC1 ZINC001293363060 1044136382 /nfs/dbraw/zinc/13/63/82/1044136382.db2.gz GSLKOYOXTGDJJC-LJQANCHMSA-N 1 0 396.539 3.851 20 30 GHEDRO CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001293389478 1044147931 /nfs/dbraw/zinc/14/79/31/1044147931.db2.gz KDLFMNFAUWYZMK-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001257810712 1044191988 /nfs/dbraw/zinc/19/19/88/1044191988.db2.gz SHIXBRWIPSNTQN-FVJLSDCUSA-N 1 0 392.565 3.830 20 30 GHEDRO CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001293461468 1044192375 /nfs/dbraw/zinc/19/23/75/1044192375.db2.gz JTRPIZNRPQSDCY-KRWDZBQOSA-N 1 0 380.540 3.641 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)C[C@H](C1)C2 ZINC001257886824 1044244654 /nfs/dbraw/zinc/24/46/54/1044244654.db2.gz MQMHCJZANVXBNM-WGVPOKKOSA-N 1 0 376.541 3.593 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C[C@H](C1)C2 ZINC001257886973 1044245144 /nfs/dbraw/zinc/24/51/44/1044245144.db2.gz RSGXOIAHJHQRHZ-RIWVPFHESA-N 1 0 376.541 3.735 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3COC4(CN(C(=O)OC(C)(C)C)C4)C3)C[C@H](C1)C2 ZINC001257886686 1044245222 /nfs/dbraw/zinc/24/52/22/1044245222.db2.gz BPROMZKEDHWJOJ-MHYDHLEJSA-N 1 0 376.541 3.737 20 30 GHEDRO CCCCCCC[C@H](C)[NH2+]Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001258041272 1044366309 /nfs/dbraw/zinc/36/63/09/1044366309.db2.gz RHDADNAEKNYBQL-SFHVURJKSA-N 1 0 382.570 3.546 20 30 GHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001258042583 1044367460 /nfs/dbraw/zinc/36/74/60/1044367460.db2.gz QQASRMBLNMXOED-PZJWPPBQSA-N 1 0 384.568 3.941 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001258044720 1044367764 /nfs/dbraw/zinc/36/77/64/1044367764.db2.gz UAAWVXZRABSRRJ-WLRLJWMZSA-N 1 0 380.573 3.510 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3cccn3C)CCO[C@@H]2C1 ZINC001258047736 1044371356 /nfs/dbraw/zinc/37/13/56/1044371356.db2.gz NUATUKVWDKSZAV-SVFBPWRDSA-N 1 0 375.557 3.547 20 30 GHEDRO CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001293905107 1044372112 /nfs/dbraw/zinc/37/21/12/1044372112.db2.gz MZJSWNSQSLGJLV-DLBZAZTESA-N 1 0 380.540 3.924 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C=C\c2ccccc2OCc2ccccc2)CC1 ZINC001293931723 1044387324 /nfs/dbraw/zinc/38/73/24/1044387324.db2.gz BLFIFGANAUSGIR-YPKPFQOOSA-N 1 0 388.511 3.883 20 30 GHEDRO O=C1c2ccccc2C(=O)C(NC2CC[NH+](CCc3ccccc3)CC2)=C1Cl ZINC001258135187 1044418724 /nfs/dbraw/zinc/41/87/24/1044418724.db2.gz RXWTVQWCVXDNED-UHFFFAOYSA-N 1 0 394.902 3.813 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142216 1044429259 /nfs/dbraw/zinc/42/92/59/1044429259.db2.gz DMGDYHMZXSDUPY-DQEYMECFSA-N 1 0 398.591 3.767 20 30 GHEDRO CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001258224128 1044477412 /nfs/dbraw/zinc/47/74/12/1044477412.db2.gz AMDQNJPSDRFDLL-ICSRJNTNSA-N 1 0 392.588 3.704 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001294217281 1044530611 /nfs/dbraw/zinc/53/06/11/1044530611.db2.gz GHECZOCFJCDWTI-QZTJIDSGSA-N 1 0 380.540 3.783 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001294219408 1044531386 /nfs/dbraw/zinc/53/13/86/1044531386.db2.gz YKCFPJBOQVKDJR-VQTJNVASSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)CC2 ZINC001258524824 1044602947 /nfs/dbraw/zinc/60/29/47/1044602947.db2.gz WVOVZUOODURWAA-QFIPXVFZSA-N 1 0 390.568 3.731 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258649324 1044689809 /nfs/dbraw/zinc/68/98/09/1044689809.db2.gz ZPPJQKFBRXTJEA-UHFFFAOYSA-N 1 0 391.490 3.988 20 30 GHEDRO C=CCC[C@@H](C)[NH+]1CCC(c2cc3c(ncn3C)c(N(C)CCOC)n2)CC1 ZINC001258727443 1044733685 /nfs/dbraw/zinc/73/36/85/1044733685.db2.gz HOFRMLDIGPTYSZ-QGZVFWFLSA-N 1 0 385.556 3.585 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1)C(C)C ZINC001295833837 1045160068 /nfs/dbraw/zinc/16/00/68/1045160068.db2.gz HDZXBMFBAGDNIQ-UHFFFAOYSA-N 1 0 380.540 3.805 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)CC#N ZINC001296083828 1045248885 /nfs/dbraw/zinc/24/88/85/1045248885.db2.gz ICYFIWOPIBDDAT-RBUKOAKNSA-N 1 0 380.540 3.866 20 30 GHEDRO C[NH+](C)CC[C@@H](Nc1cc(Br)c(C#N)cc1F)c1cccnc1 ZINC001307214929 1045350549 /nfs/dbraw/zinc/35/05/49/1045350549.db2.gz YRCTTYWVCGOAJV-MRXNPFEDSA-N 1 0 377.261 3.960 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC001298125738 1045708388 /nfs/dbraw/zinc/70/83/88/1045708388.db2.gz DRAHBMRDTULACW-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(C#N)CC1 ZINC001298889760 1045977787 /nfs/dbraw/zinc/97/77/87/1045977787.db2.gz WNFFTRMNLFOHFZ-LJQANCHMSA-N 1 0 384.572 3.796 20 30 GHEDRO COc1ccccc1SC[C@H](C)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001261436200 1045997695 /nfs/dbraw/zinc/99/76/95/1045997695.db2.gz TUHQFUSLKVEEPT-MRXNPFEDSA-N 1 0 383.517 3.913 20 30 GHEDRO C=C(Br)Cn1c(N2CCC[C@H]([NH+]3CCCC3)C2)nnc1C(C)(C)C ZINC001300863690 1046214192 /nfs/dbraw/zinc/21/41/92/1046214192.db2.gz RMRLBOQWAXHLIH-HNNXBMFYSA-N 1 0 396.377 3.549 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001300907218 1046233634 /nfs/dbraw/zinc/23/36/34/1046233634.db2.gz DCVNUHMGTXTWGX-HXUWFJFHSA-N 1 0 397.567 3.503 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300909168 1046235741 /nfs/dbraw/zinc/23/57/41/1046235741.db2.gz MPDKBJSTKLHKIY-FQEVSTJZSA-N 1 0 399.587 3.592 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+]1CCCC1 ZINC001300925658 1046246029 /nfs/dbraw/zinc/24/60/29/1046246029.db2.gz ZYHSVVGEIMVWNN-RTBURBONSA-N 1 0 389.588 3.695 20 30 GHEDRO C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001301040108 1046303599 /nfs/dbraw/zinc/30/35/99/1046303599.db2.gz CLFLPKASPYXNPX-ZWKOTPCHSA-N 1 0 393.963 3.584 20 30 GHEDRO C=C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001301063561 1046315966 /nfs/dbraw/zinc/31/59/66/1046315966.db2.gz DHDLBDDUFISUEG-IBGZPJMESA-N 1 0 397.567 3.937 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC001301077901 1046323546 /nfs/dbraw/zinc/32/35/46/1046323546.db2.gz HPRKRPXQYWVRMJ-UHFFFAOYSA-N 1 0 390.535 3.930 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001301087792 1046332962 /nfs/dbraw/zinc/33/29/62/1046332962.db2.gz VFGKIMQHRMTRPO-UHFFFAOYSA-N 1 0 385.531 3.895 20 30 GHEDRO C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001301092564 1046336181 /nfs/dbraw/zinc/33/61/81/1046336181.db2.gz WXJPYQFAJNNETK-IBGZPJMESA-N 1 0 395.551 3.539 20 30 GHEDRO C=C1CCN(c2nnc(COCC)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC001301095106 1046337335 /nfs/dbraw/zinc/33/73/35/1046337335.db2.gz BSDKAMGZYRNFAK-NRFANRHFSA-N 1 0 395.551 3.808 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001301095783 1046338247 /nfs/dbraw/zinc/33/82/47/1046338247.db2.gz OTVLYABKGYTFIM-HXUWFJFHSA-N 1 0 395.551 3.806 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001301120256 1046357254 /nfs/dbraw/zinc/35/72/54/1046357254.db2.gz LWUZSLBQAHSKHK-UHFFFAOYSA-N 1 0 382.556 3.781 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001301143680 1046370865 /nfs/dbraw/zinc/37/08/65/1046370865.db2.gz NXOBMHQLLSWNKF-SFHVURJKSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301149728 1046373955 /nfs/dbraw/zinc/37/39/55/1046373955.db2.gz FDHYGDOMWXPSQN-MOPGFXCFSA-N 1 0 394.567 3.924 20 30 GHEDRO C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001301215470 1046408308 /nfs/dbraw/zinc/40/83/08/1046408308.db2.gz YUIYZNWAGZVAKP-IBGZPJMESA-N 1 0 395.551 3.985 20 30 GHEDRO C=CCN(C)c1nnc(CC2CC2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001301305665 1046467860 /nfs/dbraw/zinc/46/78/60/1046467860.db2.gz KMJPLTGCQYWFPC-FXAWDEMLSA-N 1 0 385.581 3.997 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1ccccc1C ZINC001262995839 1046480035 /nfs/dbraw/zinc/48/00/35/1046480035.db2.gz PKGOIZZMEHIHHS-NRFANRHFSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC001301329373 1046491606 /nfs/dbraw/zinc/49/16/06/1046491606.db2.gz FKMHWJNPHIYZDN-FQEVSTJZSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CC1([NH+](C)C)CCCC1 ZINC001301339623 1046501114 /nfs/dbraw/zinc/50/11/14/1046501114.db2.gz RDBAPICVISPTMX-UHFFFAOYSA-N 1 0 392.551 3.779 20 30 GHEDRO CCn1c([C@H](C)Cc2ccc(C#N)cc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001263018965 1046507491 /nfs/dbraw/zinc/50/74/91/1046507491.db2.gz XPJJDYRKJPBHCF-GOSISDBHSA-N 1 0 394.567 3.826 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001301383149 1046517980 /nfs/dbraw/zinc/51/79/80/1046517980.db2.gz GJVPHVUGOYZMHD-UHFFFAOYSA-N 1 0 399.583 3.759 20 30 GHEDRO CCn1c([C@H](C)CCC#N)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263051497 1046535304 /nfs/dbraw/zinc/53/53/04/1046535304.db2.gz ZDAFIFKDKNIWFZ-QUCCMNQESA-N 1 0 380.540 3.664 20 30 GHEDRO C=C(C)Cn1c(-c2nc[nH]c2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001263340374 1046723987 /nfs/dbraw/zinc/72/39/87/1046723987.db2.gz JOQVLWCHGNDOHO-IEBWSBKVSA-N 1 0 397.571 3.644 20 30 GHEDRO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)C#N ZINC001301958963 1046761943 /nfs/dbraw/zinc/76/19/43/1046761943.db2.gz JIISFNHIGWDLTD-MRXNPFEDSA-N 1 0 388.947 3.925 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@@H]1C ZINC001301958842 1046762110 /nfs/dbraw/zinc/76/21/10/1046762110.db2.gz IRDKGIVIBQKOEB-HOTGVXAUSA-N 1 0 386.931 3.679 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001301965165 1046765624 /nfs/dbraw/zinc/76/56/24/1046765624.db2.gz HVMZQLYCZNAJKD-XLIONFOSSA-N 1 0 380.540 3.834 20 30 GHEDRO C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H](C)C#N)[N@H+](C)Cc1ccccc1 ZINC001301968462 1046767136 /nfs/dbraw/zinc/76/71/36/1046767136.db2.gz MQDLQGLJKWJBTR-RTBURBONSA-N 1 0 396.583 3.983 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001302295208 1046901511 /nfs/dbraw/zinc/90/15/11/1046901511.db2.gz IWGHDEFPASPYGO-UHFFFAOYSA-N 1 0 387.277 3.536 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001302295275 1046902817 /nfs/dbraw/zinc/90/28/17/1046902817.db2.gz LGRCSIOCYTYQOI-IBGZPJMESA-N 1 0 390.911 3.994 20 30 GHEDRO CON(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001302340159 1046914687 /nfs/dbraw/zinc/91/46/87/1046914687.db2.gz ZZIQWBPYEGTDSW-IAGOWNOFSA-N 1 0 396.539 3.571 20 30 GHEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1C)[NH+]1CCCC1 ZINC001302514418 1046959902 /nfs/dbraw/zinc/95/99/02/1046959902.db2.gz QAOUJBCGORINPD-WIYYLYMNSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC1CC1 ZINC001263742223 1047083921 /nfs/dbraw/zinc/08/39/21/1047083921.db2.gz LVHALBWNWABWPF-LJQANCHMSA-N 1 0 384.572 3.582 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302873105 1047158994 /nfs/dbraw/zinc/15/89/94/1047158994.db2.gz XWJVYOINJHGPLY-HXUWFJFHSA-N 1 0 386.588 3.585 20 30 GHEDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001264012661 1047214667 /nfs/dbraw/zinc/21/46/67/1047214667.db2.gz SYNDZKUGEXEPIW-GOSISDBHSA-N 1 0 379.504 3.987 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1)[N@H+](C)C1CC1 ZINC001303700875 1047485769 /nfs/dbraw/zinc/48/57/69/1047485769.db2.gz UBDDWSDDBHVIBR-HNNXBMFYSA-N 1 0 398.942 3.821 20 30 GHEDRO Cc1ccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H](C)CC#N)[NH+](C)C)cc1 ZINC001304276942 1047634226 /nfs/dbraw/zinc/63/42/26/1047634226.db2.gz WOZDFSGPHFWKAY-YLJYHZDGSA-N 1 0 391.523 3.623 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001304296001 1047637425 /nfs/dbraw/zinc/63/74/25/1047637425.db2.gz MJBAFYFIKVDLDS-WMZOPIPTSA-N 1 0 384.528 3.563 20 30 GHEDRO C=CCCCCC[N@@H+]1CCC[C@@]2(CN(C(=O)Cc3ccsc3)CCO2)C1 ZINC001279273835 1047753355 /nfs/dbraw/zinc/75/33/55/1047753355.db2.gz YXZBXLDONYOVKY-NRFANRHFSA-N 1 0 376.566 3.730 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305020712 1047839147 /nfs/dbraw/zinc/83/91/47/1047839147.db2.gz DGVMGPUXFQDQDQ-ZWKOTPCHSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024143 1047839868 /nfs/dbraw/zinc/83/98/68/1047839868.db2.gz WRQNQIXUIMYHTB-QZTJIDSGSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCCC2)C1 ZINC001305049125 1047857188 /nfs/dbraw/zinc/85/71/88/1047857188.db2.gz ODVLWZXPEKRDBL-IBGZPJMESA-N 1 0 392.551 3.929 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2cccc(Cl)c2Cl)C3)C1 ZINC001279817690 1047958612 /nfs/dbraw/zinc/95/86/12/1047958612.db2.gz JSKQVXPZHFHKES-JLVBRIDZSA-N 1 0 392.330 3.823 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC001279952118 1048004427 /nfs/dbraw/zinc/00/44/27/1048004427.db2.gz JELQJFNMCHXTQY-SPLQCWDRSA-N 1 0 392.330 3.870 20 30 GHEDRO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305450687 1048063138 /nfs/dbraw/zinc/06/31/38/1048063138.db2.gz OGUDOIRDBUAIIC-KHYOSLBOSA-N 1 0 390.532 3.598 20 30 GHEDRO C[C@@H](CC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1(C#N)CCC1)CC(C)(C)C ZINC001280265989 1048151705 /nfs/dbraw/zinc/15/17/05/1048151705.db2.gz AQHFJMCAHQPQSH-DLBZAZTESA-N 1 0 377.598 3.819 20 30 GHEDRO C[C@H](CC[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1(C#N)CCC1)CC(C)(C)C ZINC001280265992 1048152266 /nfs/dbraw/zinc/15/22/66/1048152266.db2.gz AQHFJMCAHQPQSH-SJORKVTESA-N 1 0 377.598 3.819 20 30 GHEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@@]2(CCCN(S(=O)(=O)[C@@H](C)C#N)C2)C1 ZINC001280299177 1048168996 /nfs/dbraw/zinc/16/89/96/1048168996.db2.gz FUWHOJOMNVUQFV-SLFFLAALSA-N 1 0 383.602 3.623 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286288538 1048257049 /nfs/dbraw/zinc/25/70/49/1048257049.db2.gz IZYGQQZSFMPQHF-PZJWPPBQSA-N 1 0 379.552 3.832 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001286307060 1048267327 /nfs/dbraw/zinc/26/73/27/1048267327.db2.gz ZLWRHDPWNZANCO-MOPGFXCFSA-N 1 0 397.592 3.821 20 30 GHEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286318464 1048270518 /nfs/dbraw/zinc/27/05/18/1048270518.db2.gz VGWVNARYOZLKAQ-UHFFFAOYSA-N 1 0 379.552 3.841 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)CC)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001286361304 1048289138 /nfs/dbraw/zinc/28/91/38/1048289138.db2.gz NMDQJYPTKOXMLJ-GOSISDBHSA-N 1 0 379.552 3.698 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001286364361 1048290420 /nfs/dbraw/zinc/29/04/20/1048290420.db2.gz ATWNRKWAFKJLGH-LJQANCHMSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001286373312 1048297592 /nfs/dbraw/zinc/29/75/92/1048297592.db2.gz LGAZRNAXOUIAFD-HXUWFJFHSA-N 1 0 379.552 3.511 20 30 GHEDRO CCc1ccc([C@H](Cn2c(CC3CC3)nnc2N(C)C[C@@H](C)C#N)[NH+](C)C)cc1 ZINC001305916161 1048308803 /nfs/dbraw/zinc/30/88/03/1048308803.db2.gz CJLZCCWYSTZVFY-UWJYYQICSA-N 1 0 394.567 3.692 20 30 GHEDRO C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286540746 1048356621 /nfs/dbraw/zinc/35/66/21/1048356621.db2.gz CZTSFADLLCDKKW-LSDHHAIUSA-N 1 0 398.393 3.694 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001286588859 1048378531 /nfs/dbraw/zinc/37/85/31/1048378531.db2.gz MZEYTFJHKGPPOR-SFHVURJKSA-N 1 0 383.540 3.698 20 30 GHEDRO C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286601676 1048382599 /nfs/dbraw/zinc/38/25/99/1048382599.db2.gz XHLFEHRAVQMGBU-LJQANCHMSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001286647668 1048414924 /nfs/dbraw/zinc/41/49/24/1048414924.db2.gz LWNYUSNURQVCPF-FQEVSTJZSA-N 1 0 383.515 3.649 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCCCC2)CC1 ZINC001286648309 1048415253 /nfs/dbraw/zinc/41/52/53/1048415253.db2.gz PIRNSQGNZNTHKM-UHFFFAOYSA-N 1 0 379.552 3.820 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001286653497 1048420159 /nfs/dbraw/zinc/42/01/59/1048420159.db2.gz AQSQGDSGLDYHMS-IBGZPJMESA-N 1 0 394.567 3.865 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001286677868 1048439361 /nfs/dbraw/zinc/43/93/61/1048439361.db2.gz LMBKGUMFFKOMET-RBUKOAKNSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCCCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001286697225 1048457725 /nfs/dbraw/zinc/45/77/25/1048457725.db2.gz GKAOGMFVASDTHM-LJQANCHMSA-N 1 0 390.535 3.950 20 30 GHEDRO C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)C[NH+](C)C ZINC001286717745 1048473459 /nfs/dbraw/zinc/47/34/59/1048473459.db2.gz ITPVXGHPLAUTJA-UHFFFAOYSA-N 1 0 393.539 3.545 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286722897 1048479716 /nfs/dbraw/zinc/47/97/16/1048479716.db2.gz BTDRUJOIPLZKIQ-MSOLQXFVSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001286723541 1048481099 /nfs/dbraw/zinc/48/10/99/1048481099.db2.gz RSVOAIPKUVXJNT-HKUYNNGSSA-N 1 0 387.528 3.818 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCC[N@H+]1CCCC)C1CC1 ZINC001286738584 1048496860 /nfs/dbraw/zinc/49/68/60/1048496860.db2.gz XKAJKMPBPOTSLO-ICSRJNTNSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001286755339 1048508849 /nfs/dbraw/zinc/50/88/49/1048508849.db2.gz VICTWPZHQIDFCM-SFHVURJKSA-N 1 0 390.535 3.947 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001306320904 1048565822 /nfs/dbraw/zinc/56/58/22/1048565822.db2.gz BWLHQNKKFOSZSN-KNQAVFIVSA-N 1 0 384.572 3.940 20 30 GHEDRO CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001286997693 1048567151 /nfs/dbraw/zinc/56/71/51/1048567151.db2.gz XEUKEBVRYASJOY-IBGZPJMESA-N 1 0 384.572 3.723 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(C)cc(C#N)cc3C)cc2)CC1 ZINC001306362295 1048600481 /nfs/dbraw/zinc/60/04/81/1048600481.db2.gz PGDCEBIRLDGWPF-UHFFFAOYSA-N 1 0 376.504 3.565 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001287205986 1048651366 /nfs/dbraw/zinc/65/13/66/1048651366.db2.gz JPQVDPKBHZZHJS-JOCHJYFZSA-N 1 0 380.540 3.641 20 30 GHEDRO CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306469835 1048684956 /nfs/dbraw/zinc/68/49/56/1048684956.db2.gz CFJGRHDMXWWWBG-WAYWQWQTSA-N 1 0 378.524 3.750 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC001306585743 1048755452 /nfs/dbraw/zinc/75/54/52/1048755452.db2.gz PEZURJHHJZQLHE-HJNYFJLDSA-N 1 0 377.488 3.677 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001287400961 1048757900 /nfs/dbraw/zinc/75/79/00/1048757900.db2.gz XRCZHMAVGPNBED-FQEVSTJZSA-N 1 0 394.567 3.910 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001287910822 1048943061 /nfs/dbraw/zinc/94/30/61/1048943061.db2.gz BUGKKBNYJIDULV-UYAOXDASSA-N 1 0 378.524 3.536 20 30 GHEDRO CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001307003345 1049001563 /nfs/dbraw/zinc/00/15/63/1049001563.db2.gz XBIDYNBBOZFRGJ-FQEVSTJZSA-N 1 0 380.540 3.927 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(C3CCCC3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001307041604 1049034941 /nfs/dbraw/zinc/03/49/41/1049034941.db2.gz GPYAKPMQFQPWHX-SFHVURJKSA-N 1 0 384.572 3.798 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC1CC1)[N@H+](C)C1CC1 ZINC001288616170 1049162103 /nfs/dbraw/zinc/16/21/03/1049162103.db2.gz ZIQFJHQHAPPJQU-MRXNPFEDSA-N 1 0 378.524 3.536 20 30 GHEDRO C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001288632409 1049172005 /nfs/dbraw/zinc/17/20/05/1049172005.db2.gz XLMJWGXAADFXAK-ZHRRBRCNSA-N 1 0 391.523 3.507 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC001307449301 1049286286 /nfs/dbraw/zinc/28/62/86/1049286286.db2.gz CKUWGDBDOQNGDA-UHFFFAOYSA-N 1 0 386.499 3.951 20 30 GHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)cc1OC ZINC001307450850 1049288005 /nfs/dbraw/zinc/28/80/05/1049288005.db2.gz OYSKWUOYTPBAKI-WOJBJXKFSA-N 1 0 386.536 3.936 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509905 1049350836 /nfs/dbraw/zinc/35/08/36/1049350836.db2.gz MUQFSOTYPZIYQB-RDPSFJRHSA-N 1 0 389.543 3.981 20 30 GHEDRO C#CCN(C(=O)c1cc2cc(Br)cc(C)c2o1)C1CC[NH+](C)CC1 ZINC001289196187 1049362991 /nfs/dbraw/zinc/36/29/91/1049362991.db2.gz ZFQMNSKEDJRBJY-UHFFFAOYSA-N 1 0 389.293 3.673 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](CC)C2)c1 ZINC001307521855 1049366907 /nfs/dbraw/zinc/36/69/07/1049366907.db2.gz YCDJRGVOWABOGL-UGKGYDQZSA-N 1 0 389.499 3.832 20 30 GHEDRO CC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC001307529872 1049375429 /nfs/dbraw/zinc/37/54/29/1049375429.db2.gz OMEORHWJEJHZGE-KRWDZBQOSA-N 1 0 380.492 3.645 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001307775658 1049584018 /nfs/dbraw/zinc/58/40/18/1049584018.db2.gz VCGWHSDUDGEQGZ-HIFRSBDPSA-N 1 0 398.315 3.989 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC001307848437 1049631314 /nfs/dbraw/zinc/63/13/14/1049631314.db2.gz HLYVUCYQQNXWHW-UHFFFAOYSA-N 1 0 389.858 3.828 20 30 GHEDRO COc1ccc(Br)cc1C1([NH2+]CCOc2cccc(C#N)c2)CC1 ZINC001307871187 1049652587 /nfs/dbraw/zinc/65/25/87/1049652587.db2.gz XATCTRZGJJJVEQ-UHFFFAOYSA-N 1 0 387.277 3.987 20 30 GHEDRO COC(=O)[C@@]1(NCCC2(C#N)CCCCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC001307888527 1049668633 /nfs/dbraw/zinc/66/86/33/1049668633.db2.gz XSWPPVYSNIKVSD-HSZRJFAPSA-N 1 0 383.536 3.648 20 30 GHEDRO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001308007584 1049756102 /nfs/dbraw/zinc/75/61/02/1049756102.db2.gz HAORUXYRDAUFCH-WIYYLYMNSA-N 1 0 382.479 3.900 20 30 GHEDRO CCCOc1cccc(CNC(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001308114389 1049859475 /nfs/dbraw/zinc/85/94/75/1049859475.db2.gz NERFGKFPXZKGBB-UHFFFAOYSA-N 1 0 391.515 3.843 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC001308145050 1049883150 /nfs/dbraw/zinc/88/31/50/1049883150.db2.gz HEXWFRNJKVDUPQ-IRXDYDNUSA-N 1 0 375.900 3.679 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001308146244 1049884536 /nfs/dbraw/zinc/88/45/36/1049884536.db2.gz VHGNERDGDFCTIQ-HYVNUMGLSA-N 1 0 375.900 3.677 20 30 GHEDRO CC(C)(C)n1cncc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC001308164260 1049895387 /nfs/dbraw/zinc/89/53/87/1049895387.db2.gz APMVOCUGHHLBCN-GOSISDBHSA-N 1 0 379.508 3.718 20 30 GHEDRO COc1cccc([C@H](C[NH2+]Cc2cc(C#N)ccc2Br)N(C)C)c1 ZINC001308182087 1049903539 /nfs/dbraw/zinc/90/35/39/1049903539.db2.gz HGKUPARBWWNSHZ-IBGZPJMESA-N 1 0 388.309 3.722 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001290739546 1049913396 /nfs/dbraw/zinc/91/33/96/1049913396.db2.gz BVMORNCLTXOXBO-SFHVURJKSA-N 1 0 392.551 3.748 20 30 GHEDRO Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001290768621 1049920111 /nfs/dbraw/zinc/92/01/11/1049920111.db2.gz FHBOVTRHOYMDSI-MJGOQNOKSA-N 1 0 398.580 3.861 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1OC ZINC001308306599 1049944336 /nfs/dbraw/zinc/94/43/36/1049944336.db2.gz XTZIHEHZGFQBSN-OALUTQOASA-N 1 0 394.943 3.646 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013113 1049971786 /nfs/dbraw/zinc/97/17/86/1049971786.db2.gz JIGAOWBMRKXUSM-CEXWTWQISA-N 1 0 388.604 3.973 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC001308747347 1050079507 /nfs/dbraw/zinc/07/95/07/1050079507.db2.gz DVLNTJWQGIVWHD-GOSISDBHSA-N 1 0 383.511 3.948 20 30 GHEDRO C[C@@]1(C#N)CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001330288693 1050993877 /nfs/dbraw/zinc/99/38/77/1050993877.db2.gz GVLWJBJUSPJRNM-VYTWWXLVSA-N 1 0 380.536 3.907 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2OC)CC1 ZINC001310459564 1051371174 /nfs/dbraw/zinc/37/11/74/1051371174.db2.gz UXQOCMFVMWWECP-UHFFFAOYSA-N 1 0 379.460 3.707 20 30 GHEDRO C[C@@]1(CNC(=O)Nc2nc(Cl)c(C#N)s2)CC[N@H+](Cc2ccccc2)C1 ZINC001310857531 1051655960 /nfs/dbraw/zinc/65/59/60/1051655960.db2.gz CUHMLYJCAQPLJZ-SFHVURJKSA-N 1 0 389.912 3.702 20 30 GHEDRO C#CCC1(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCOCC1 ZINC001311360735 1052058091 /nfs/dbraw/zinc/05/80/91/1052058091.db2.gz VMAOCVMFFVATNQ-PMACEKPBSA-N 1 0 397.563 3.536 20 30 GHEDRO C=CCCC1(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001311571512 1052253764 /nfs/dbraw/zinc/25/37/64/1052253764.db2.gz KBSQWZLTIIAJGT-UHFFFAOYSA-N 1 0 398.595 3.630 20 30 GHEDRO C=C(Br)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001311757804 1052377672 /nfs/dbraw/zinc/37/76/72/1052377672.db2.gz USGAOVOFWFJUTJ-ARFHVFGLSA-N 1 0 380.330 3.588 20 30 GHEDRO C=C1CCC(CNC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC001311822430 1052421924 /nfs/dbraw/zinc/42/19/24/1052421924.db2.gz LKZOXLVQJDFAOR-QGZVFWFLSA-N 1 0 388.531 3.684 20 30 GHEDRO C=C1CCC(CNC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC001311822429 1052421945 /nfs/dbraw/zinc/42/19/45/1052421945.db2.gz LKZOXLVQJDFAOR-KRWDZBQOSA-N 1 0 388.531 3.684 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001312250321 1052660749 /nfs/dbraw/zinc/66/07/49/1052660749.db2.gz CHBZAUBJGMUMMK-LAUBAEHRSA-N 1 0 376.504 3.756 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001312616280 1052813334 /nfs/dbraw/zinc/81/33/34/1052813334.db2.gz MGQJLTGUYOORDJ-GOLJUSPKSA-N 1 0 377.573 3.510 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)NCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC001312675676 1052835064 /nfs/dbraw/zinc/83/50/64/1052835064.db2.gz XXQSECDPVINZAP-MRXNPFEDSA-N 1 0 391.928 3.550 20 30 GHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1C(C)(C)C ZINC001313451895 1053059133 /nfs/dbraw/zinc/05/91/33/1053059133.db2.gz BTBKGPBRLOXMIZ-FQEVSTJZSA-N 1 0 394.567 3.958 20 30 GHEDRO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001342298296 1053085859 /nfs/dbraw/zinc/08/58/59/1053085859.db2.gz ICQMGBPKZHBVSP-MSOLQXFVSA-N 1 0 375.561 3.652 20 30 GHEDRO CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001313561836 1053097054 /nfs/dbraw/zinc/09/70/54/1053097054.db2.gz RXPKQWWOJSVGEE-KRWDZBQOSA-N 1 0 380.521 3.637 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001342454981 1053179438 /nfs/dbraw/zinc/17/94/38/1053179438.db2.gz LZOABSJODQGYRN-DYXWJJEUSA-N 1 0 399.583 3.797 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001313721525 1053189671 /nfs/dbraw/zinc/18/96/71/1053189671.db2.gz MEKQPPOJKXGZPI-DBOLQNLKSA-N 1 0 392.551 3.782 20 30 GHEDRO CC[NH+]1CCC(CCn2c(-c3ccccc3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001313880019 1053268882 /nfs/dbraw/zinc/26/88/82/1053268882.db2.gz GFLSYCKLTGLBED-GOSISDBHSA-N 1 0 380.540 3.805 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C)=C(C)C2)C1 ZINC001313885943 1053270539 /nfs/dbraw/zinc/27/05/39/1053270539.db2.gz JIKQMMFJLOKTRW-FQEVSTJZSA-N 1 0 390.535 3.705 20 30 GHEDRO CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001342829185 1053378522 /nfs/dbraw/zinc/37/85/22/1053378522.db2.gz WQPCBEUWPKGSST-VQTJNVASSA-N 1 0 386.588 3.871 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001343296157 1053684640 /nfs/dbraw/zinc/68/46/40/1053684640.db2.gz WLIGQGPRMQYYJZ-QFIPXVFZSA-N 1 0 385.556 3.501 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001343342899 1053716786 /nfs/dbraw/zinc/71/67/86/1053716786.db2.gz DIKDQZKZJLYYEC-NHCUHLMSSA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1C1(C#N)CCCC1 ZINC001343447644 1053776433 /nfs/dbraw/zinc/77/64/33/1053776433.db2.gz UMSRBPSSECEMOP-UHFFFAOYSA-N 1 0 382.556 3.644 20 30 GHEDRO COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[NH+]2CCCCCC2)cc1 ZINC001315378110 1053785838 /nfs/dbraw/zinc/78/58/38/1053785838.db2.gz FBHNTAHQRWQLTC-GOSISDBHSA-N 1 0 396.539 3.568 20 30 GHEDRO C=C(C)Cn1c(-c2ccco2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001343471067 1053791378 /nfs/dbraw/zinc/79/13/78/1053791378.db2.gz TXFFIPHXPWDSET-IBGZPJMESA-N 1 0 377.492 3.825 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1Cc1cccs1 ZINC001343485993 1053803837 /nfs/dbraw/zinc/80/38/37/1053803837.db2.gz ATPRYRFAJQNEFW-UHFFFAOYSA-N 1 0 398.580 3.644 20 30 GHEDRO C=C(C)Cn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N1CC[C@H](CF)C1 ZINC001343984749 1054161144 /nfs/dbraw/zinc/16/11/44/1054161144.db2.gz WVEVUKYEVPOHNM-GOSISDBHSA-N 1 0 398.530 3.737 20 30 GHEDRO CC(C)(C)[NH+]1CCN(c2nnc(CCCCC#N)n2Cc2cccs2)CC1 ZINC001344667551 1054650725 /nfs/dbraw/zinc/65/07/25/1054650725.db2.gz QMHRWWNXMYONEH-UHFFFAOYSA-N 1 0 386.569 3.545 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OCC#N)cc1 ZINC001318666441 1054784242 /nfs/dbraw/zinc/78/42/42/1054784242.db2.gz XETKGSNUFSGTOK-FQEVSTJZSA-N 1 0 393.491 3.502 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(OCC#N)cc1 ZINC001318784761 1054873568 /nfs/dbraw/zinc/87/35/68/1054873568.db2.gz LQBUWLFOJOCFLQ-SFHVURJKSA-N 1 0 378.476 3.717 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001318823679 1054900756 /nfs/dbraw/zinc/90/07/56/1054900756.db2.gz QWCMGLQOWSJAQA-UHFFFAOYSA-N 1 0 395.478 3.886 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cc3ccccc3[nH]2)c(OC)c1 ZINC001319009209 1054988491 /nfs/dbraw/zinc/98/84/91/1054988491.db2.gz AONGHXGOIBHPRC-HXUWFJFHSA-N 1 0 380.488 3.777 20 30 GHEDRO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2CC2CC2)C1 ZINC001345345227 1054997630 /nfs/dbraw/zinc/99/76/30/1054997630.db2.gz IHKIKDDQJDTZSB-NQIIRXRSSA-N 1 0 399.583 3.797 20 30 GHEDRO CCCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CC[N@H+](C)C1 ZINC001345736389 1055231883 /nfs/dbraw/zinc/23/18/83/1055231883.db2.gz BHRIAHFOVLOOTK-GOSISDBHSA-N 1 0 382.533 3.912 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001345750555 1055241662 /nfs/dbraw/zinc/24/16/62/1055241662.db2.gz OCSRMMPARJZKOP-RXVVDRJESA-N 1 0 392.551 3.806 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccc(N2CCOCC2)cc1Cl ZINC001319767595 1055456080 /nfs/dbraw/zinc/45/60/80/1055456080.db2.gz NWUDLTCIDWEGHE-MRXNPFEDSA-N 1 0 385.895 3.930 20 30 GHEDRO C=CC[C@]1(C(=O)N2CCC([NH+](CC)CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC001320702273 1055934450 /nfs/dbraw/zinc/93/44/50/1055934450.db2.gz PTKSJHUOESXQNU-JOCHJYFZSA-N 1 0 393.572 3.665 20 30 GHEDRO CSc1nn(-c2ccccc2)c(NC(=O)c2ccc3c[nH+]cn3c2C)c1C#N ZINC001320848869 1055986456 /nfs/dbraw/zinc/98/64/56/1055986456.db2.gz GDVOACNMURZMFW-UHFFFAOYSA-N 1 0 388.456 3.674 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001321028508 1056062801 /nfs/dbraw/zinc/06/28/01/1056062801.db2.gz UJTFKTJHKVZQTQ-VXKWHMMOSA-N 1 0 398.528 3.772 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300526982 1056371386 /nfs/dbraw/zinc/37/13/86/1056371386.db2.gz SBLMBKXERGWBLN-GOSISDBHSA-N 1 0 397.954 3.648 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)[C@H](C)C1 ZINC001354158470 1056381384 /nfs/dbraw/zinc/38/13/84/1056381384.db2.gz MYIAAVYDMNRCLJ-UYAOXDASSA-N 1 0 394.567 3.684 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)C)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001300554926 1056457145 /nfs/dbraw/zinc/45/71/45/1056457145.db2.gz MWNWBROTXNZKHT-JOCHJYFZSA-N 1 0 389.547 3.702 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001322287463 1056610136 /nfs/dbraw/zinc/61/01/36/1056610136.db2.gz ZNBPTOZFSMSIOJ-IEBWSBKVSA-N 1 0 383.471 3.821 20 30 GHEDRO C=CCOCc1nnc(N2CCC(CC)([NH+](C)C)CC2)n1CCc1ccccc1 ZINC001354608560 1056813155 /nfs/dbraw/zinc/81/31/55/1056813155.db2.gz XYCDIMVYAVUTEL-UHFFFAOYSA-N 1 0 397.567 3.534 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001323567182 1056986930 /nfs/dbraw/zinc/98/69/30/1056986930.db2.gz NHAJHWXYHSJQBY-UWJYYQICSA-N 1 0 378.476 3.621 20 30 GHEDRO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001323740609 1057006938 /nfs/dbraw/zinc/00/69/38/1057006938.db2.gz OOSQJLIJQYPQIC-UHFFFAOYSA-N 1 0 385.467 3.868 20 30 GHEDRO O=C(NCC#Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324768374 1057223072 /nfs/dbraw/zinc/22/30/72/1057223072.db2.gz UQMBYSOVLKEJEK-CWAQXLGLSA-N 1 0 387.527 3.923 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC001325316694 1057311709 /nfs/dbraw/zinc/31/17/09/1057311709.db2.gz MGMCNGSSBSZLDG-HNNXBMFYSA-N 1 0 386.496 3.512 20 30 GHEDRO C=C[C@H](COC)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001325620214 1057346944 /nfs/dbraw/zinc/34/69/44/1057346944.db2.gz SEHQJGPKRAMKSD-GOSISDBHSA-N 1 0 378.432 3.738 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001325994920 1057392840 /nfs/dbraw/zinc/39/28/40/1057392840.db2.gz DEURVBSFALTDEH-XUVXKRRUSA-N 1 0 385.870 3.898 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000848918725 1057419998 /nfs/dbraw/zinc/41/99/98/1057419998.db2.gz JSMUVCWIOPYUNG-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC(C)C)n2ccnc2)nnc1N1CCC2(C1)CCOCC2 ZINC001356240289 1057444234 /nfs/dbraw/zinc/44/42/34/1057444234.db2.gz XKVPBZYZYSLHEY-LJQANCHMSA-N 1 0 398.555 3.693 20 30 GHEDRO C[NH+]=C(NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)NC1CC1 ZINC000849002664 1057509557 /nfs/dbraw/zinc/50/95/57/1057509557.db2.gz XXIQXVDKLOVFKI-OAHLLOKOSA-N 1 0 376.854 3.593 20 30 GHEDRO CCn1c(CCCC#N)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001356488204 1057527028 /nfs/dbraw/zinc/52/70/28/1057527028.db2.gz LHBMWOMXHHWUGL-HSZRJFAPSA-N 1 0 392.551 3.637 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(NC(C)(C)C)=[NH+]C[C@@H]1CCCCO1 ZINC001356509449 1057532718 /nfs/dbraw/zinc/53/27/18/1057532718.db2.gz RRSOCLLJHIXTIK-FQEVSTJZSA-N 1 0 397.567 3.892 20 30 GHEDRO CN(C)C(=[NH+]C[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)N(C)C ZINC000849058701 1057569922 /nfs/dbraw/zinc/56/99/22/1057569922.db2.gz LRAOAJPUIAGMSS-GOSISDBHSA-N 1 0 390.984 3.980 20 30 GHEDRO C#CCN(C(=O)Cn1c2ccccc2nc1C1CCCCC1)C1CC[NH+](C)CC1 ZINC001439599507 1058225767 /nfs/dbraw/zinc/22/57/67/1058225767.db2.gz CBYAKLNMQFZXJR-UHFFFAOYSA-N 1 0 392.547 3.640 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001338630357 1058698539 /nfs/dbraw/zinc/69/85/39/1058698539.db2.gz FHKTXGACSYYYJM-QPIRBTGLSA-N 1 0 390.405 3.659 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001442258066 1058940682 /nfs/dbraw/zinc/94/06/82/1058940682.db2.gz DKBJJCHVOXNLPK-OAQYLSRUSA-N 1 0 381.520 3.846 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1cccc(F)c1 ZINC001339131944 1058973449 /nfs/dbraw/zinc/97/34/49/1058973449.db2.gz WQPPTIYHSDQZLC-FQEVSTJZSA-N 1 0 399.514 3.556 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001339498350 1059257976 /nfs/dbraw/zinc/25/79/76/1059257976.db2.gz GBJDEMVMCOOITR-MAUKXSAKSA-N 1 0 396.495 3.546 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](CC)c2sc(SCC)nc2C)CC1 ZINC001444691076 1059362953 /nfs/dbraw/zinc/36/29/53/1059362953.db2.gz URANLBUDONPZJP-INIZCTEOSA-N 1 0 379.595 3.661 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N3CCC[C@](C)(C#N)C3)n2C)C1 ZINC001340009672 1059615818 /nfs/dbraw/zinc/61/58/18/1059615818.db2.gz LKQFQNZBGPCQKX-ZPMCFJSWSA-N 1 0 396.514 3.577 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001340205378 1059762483 /nfs/dbraw/zinc/76/24/83/1059762483.db2.gz NIFKFFVDUJRESM-SIKLNZKXSA-N 1 0 385.556 3.551 20 30 GHEDRO C=CCC[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC001340301758 1059840854 /nfs/dbraw/zinc/84/08/54/1059840854.db2.gz YHYMDIHXTCGIIN-QFIPXVFZSA-N 1 0 398.551 3.750 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001340394894 1059910645 /nfs/dbraw/zinc/91/06/45/1059910645.db2.gz AWWKUVDQXKEMHF-UHFFFAOYSA-N 1 0 392.960 3.696 20 30 GHEDRO C=CCCOCCCCC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001448924378 1060299103 /nfs/dbraw/zinc/29/91/03/1060299103.db2.gz SSTVQUGXCNEMEK-UHFFFAOYSA-N 1 0 376.463 3.671 20 30 GHEDRO CCn1c(CC(C)(C)C#N)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001341167364 1060466710 /nfs/dbraw/zinc/46/67/10/1060466710.db2.gz VGDMWZXLSMFESK-AZUAARDMSA-N 1 0 394.567 3.880 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)CC1 ZINC001341293340 1060558250 /nfs/dbraw/zinc/55/82/50/1060558250.db2.gz FWWHQVMKPNWXDV-UHFFFAOYSA-N 1 0 394.567 3.828 20 30 GHEDRO C#C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC001450267329 1060566092 /nfs/dbraw/zinc/56/60/92/1060566092.db2.gz BKVJVSMNZPKROD-SFHVURJKSA-N 1 0 375.310 3.504 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC(C)(C)CC1 ZINC001341668961 1060799727 /nfs/dbraw/zinc/79/97/27/1060799727.db2.gz KYJIWPPMHBKVGO-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nnc1C1(C#N)CCCCC1 ZINC001341893415 1060941473 /nfs/dbraw/zinc/94/14/73/1060941473.db2.gz LYIGFJHDVGCCAO-XUVXKRRUSA-N 1 0 396.583 3.746 20 30 GHEDRO C=CCn1c(C2CCSCC2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001341938727 1060959179 /nfs/dbraw/zinc/95/91/79/1060959179.db2.gz NTOZNNRRXUVPKY-UHFFFAOYSA-N 1 0 375.586 3.529 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001342035807 1061011173 /nfs/dbraw/zinc/01/11/73/1061011173.db2.gz OMHIQQLEGLYNGW-QZTJIDSGSA-N 1 0 389.588 3.836 20 30 GHEDRO C=CCn1c(-c2scnc2Cl)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001342207721 1061134322 /nfs/dbraw/zinc/13/43/22/1061134322.db2.gz KKJPMDMNTAGUAF-UHFFFAOYSA-N 1 0 394.976 3.798 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC[C@@H](C#N)C1 ZINC001342232227 1061159687 /nfs/dbraw/zinc/15/96/87/1061159687.db2.gz KRWSUIATQBFYIN-SFTDATJTSA-N 1 0 390.535 3.584 20 30 GHEDRO C=CCn1c([C@H]2C[C@H]2OCCCC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342249296 1061174865 /nfs/dbraw/zinc/17/48/65/1061174865.db2.gz ZTLINUWWXDQXRY-VQTJNVASSA-N 1 0 387.572 3.591 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2CC2CC2)CC1)CC(C)C ZINC001346054079 1061324065 /nfs/dbraw/zinc/32/40/65/1061324065.db2.gz LQLZGFAAYYOFFI-NHCUHLMSSA-N 1 0 398.599 3.900 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)c1nnc(C2CC[NH+](C)CC2)n1CC1CC1 ZINC001346083920 1061348727 /nfs/dbraw/zinc/34/87/27/1061348727.db2.gz ISUFCHPIABLHTB-INIZCTEOSA-N 1 0 378.524 3.566 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001346209087 1061450492 /nfs/dbraw/zinc/45/04/92/1061450492.db2.gz DRTTYTRJJLMRKI-MDZRGWNJSA-N 1 0 399.587 3.512 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001346228286 1061464273 /nfs/dbraw/zinc/46/42/73/1061464273.db2.gz HQWQMMBCQZYRQM-IPMKNSEASA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(NC3(C)CCCC3)n2)CC1 ZINC001346461941 1061577903 /nfs/dbraw/zinc/57/79/03/1061577903.db2.gz VXTIYBVXGJAASX-UHFFFAOYSA-N 1 0 376.570 3.587 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001346741692 1061840459 /nfs/dbraw/zinc/84/04/59/1061840459.db2.gz ABMGHXYGWLHCFZ-UHFFFAOYSA-N 1 0 395.555 3.576 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(CCCCC#N)n2CC2CC2)C1 ZINC001346862191 1061944213 /nfs/dbraw/zinc/94/42/13/1061944213.db2.gz ODDFJOOHZJZZMV-NRFANRHFSA-N 1 0 392.551 3.635 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001545809305 1062011602 /nfs/dbraw/zinc/01/16/02/1062011602.db2.gz ANHVWXHMROGLSW-HXUWFJFHSA-N 1 0 397.571 3.770 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001439350280 1064231010 /nfs/dbraw/zinc/23/10/10/1064231010.db2.gz KNSWAMBPCZFZAI-UHFFFAOYSA-N 1 0 380.492 3.777 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)C1=O ZINC001459833255 1064236798 /nfs/dbraw/zinc/23/67/98/1064236798.db2.gz IKHKNXGDEQOUIO-RLLQIKCJSA-N 1 0 386.536 3.871 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC001463461466 1064372345 /nfs/dbraw/zinc/37/23/45/1064372345.db2.gz NXYBBWAXQDFOES-UHFFFAOYSA-N 1 0 386.561 3.994 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(CCCC#N)n2CC2CC2)C1 ZINC001351358006 1064401098 /nfs/dbraw/zinc/40/10/98/1064401098.db2.gz BEQVNNUITGNJBI-AZUAARDMSA-N 1 0 384.572 3.625 20 30 GHEDRO Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)Cc1c(C)cc(C#N)cc1C)[NH+](C)C ZINC001463517778 1064427354 /nfs/dbraw/zinc/42/73/54/1064427354.db2.gz NNOJBIBTMKXOJU-PGRDOPGGSA-N 1 0 399.560 3.594 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cc(C)c(Cl)s1)C(C)C ZINC001463530964 1064439888 /nfs/dbraw/zinc/43/98/88/1064439888.db2.gz XKTCOWLCQQAFFT-AWEZNQCLSA-N 1 0 376.975 3.687 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N(C)Cc1cccc(=O)[nH]1 ZINC001351535289 1064505443 /nfs/dbraw/zinc/50/54/43/1064505443.db2.gz VMFYGWLORLEUQW-IBGZPJMESA-N 1 0 396.539 3.671 20 30 GHEDRO C=CCn1c(COC2CCCCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001351958405 1064730723 /nfs/dbraw/zinc/73/07/23/1064730723.db2.gz OJGSANLUXHPZOW-UHFFFAOYSA-N 1 0 375.561 3.624 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001352151829 1064886541 /nfs/dbraw/zinc/88/65/41/1064886541.db2.gz QRMHNLDLOJNHES-IHPCNDPISA-N 1 0 385.556 3.549 20 30 GHEDRO CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1CCC(CC#N)CC1 ZINC001352636613 1065194838 /nfs/dbraw/zinc/19/48/38/1065194838.db2.gz HASNUAYVPCMPGX-NRFANRHFSA-N 1 0 392.551 3.808 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C(C)C ZINC001464867655 1065251511 /nfs/dbraw/zinc/25/15/11/1065251511.db2.gz CHFLJGCCVODLNE-ZWKOTPCHSA-N 1 0 384.442 3.554 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C ZINC001464870680 1065253420 /nfs/dbraw/zinc/25/34/20/1065253420.db2.gz MPSRKSPLNUZQDJ-MOPGFXCFSA-N 1 0 393.572 3.591 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001464998766 1065317937 /nfs/dbraw/zinc/31/79/37/1065317937.db2.gz XULVTIAGYYXTSW-MRXNPFEDSA-N 1 0 375.271 3.540 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001465041345 1065347053 /nfs/dbraw/zinc/34/70/53/1065347053.db2.gz BTWCXHBZCRXTDY-UHFFFAOYSA-N 1 0 381.451 3.624 20 30 GHEDRO CCCCCCCCc1nnc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)s1 ZINC001465060856 1065361101 /nfs/dbraw/zinc/36/11/01/1065361101.db2.gz CZIJUZFWKBSIHH-CVEARBPZSA-N 1 0 379.574 3.999 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001465089262 1065386163 /nfs/dbraw/zinc/38/61/63/1065386163.db2.gz YVEPFRPRAOZWKZ-FQEVSTJZSA-N 1 0 385.577 3.627 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC001352869598 1065395705 /nfs/dbraw/zinc/39/57/05/1065395705.db2.gz ZFDIQHFBULPBCM-QGZVFWFLSA-N 1 0 383.923 3.981 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 ZINC001300140551 1065429946 /nfs/dbraw/zinc/42/99/46/1065429946.db2.gz FRJQPSLBDDRZRL-UHFFFAOYSA-N 1 0 391.519 3.512 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1 ZINC000847492247 1065443473 /nfs/dbraw/zinc/44/34/73/1065443473.db2.gz DTYOLKRLPDOROW-GOSISDBHSA-N 1 0 386.293 3.548 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001465515768 1065682583 /nfs/dbraw/zinc/68/25/83/1065682583.db2.gz SGHHFKFOMAKIQR-MTBFFHQGSA-N 1 0 376.500 3.761 20 30 GHEDRO C#CCCOc1ccc(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cc1 ZINC001353166371 1065726515 /nfs/dbraw/zinc/72/65/15/1065726515.db2.gz BOORWJYDUGWLQX-UHFFFAOYSA-N 1 0 398.547 3.632 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[NH+](CC)CC ZINC001300273718 1065903232 /nfs/dbraw/zinc/90/32/32/1065903232.db2.gz RHPHMYUOSFUNFA-GOSISDBHSA-N 1 0 381.568 3.924 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001300275488 1065905613 /nfs/dbraw/zinc/90/56/13/1065905613.db2.gz VIIRHTOPWPADED-IPJJNNNSSA-N 1 0 391.563 3.762 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300281367 1065917536 /nfs/dbraw/zinc/91/75/36/1065917536.db2.gz CEAVAHNQABHXGI-FXAWDEMLSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001300304775 1065960613 /nfs/dbraw/zinc/96/06/13/1065960613.db2.gz VITCBVKEIXAJQL-CEWLAPEOSA-N 1 0 395.551 3.589 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[NH+](CC)CC ZINC001300313167 1065972198 /nfs/dbraw/zinc/97/21/98/1065972198.db2.gz CKAVIKJQUFZSDC-KRWDZBQOSA-N 1 0 387.959 3.712 20 30 GHEDRO Cc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000847745952 1066019498 /nfs/dbraw/zinc/01/94/98/1066019498.db2.gz SPFZQMOKZMSKNM-UHFFFAOYSA-N 1 0 393.443 3.866 20 30 GHEDRO N#CC1(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000847749590 1066035633 /nfs/dbraw/zinc/03/56/33/1066035633.db2.gz VYGCHPCMWHPYNJ-UHFFFAOYSA-N 1 0 397.406 3.697 20 30 GHEDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)C[C@]2(C)C1 ZINC001466278112 1066069259 /nfs/dbraw/zinc/06/92/59/1066069259.db2.gz XKWMLSOECCDNEW-VGSWGCGISA-N 1 0 376.460 3.766 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001466342519 1066102594 /nfs/dbraw/zinc/10/25/94/1066102594.db2.gz CZFDIOWUNUPZOV-CHWSQXEVSA-N 1 0 384.402 3.699 20 30 GHEDRO CC(C)[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CCCCC1 ZINC001466383064 1066125486 /nfs/dbraw/zinc/12/54/86/1066125486.db2.gz HGEQRYCSMRWBBX-LJQANCHMSA-N 1 0 385.899 3.846 20 30 GHEDRO C#CCCCn1c(CC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001300412088 1066259541 /nfs/dbraw/zinc/25/95/41/1066259541.db2.gz RMKPDZSFBRZQLQ-UHFFFAOYSA-N 1 0 379.552 3.521 20 30 GHEDRO CC[N@H+](CCNC(=O)c1cn(CCCC#N)c2ccccc12)CCC(F)(F)F ZINC001466832418 1066342838 /nfs/dbraw/zinc/34/28/38/1066342838.db2.gz DWFOUWSJEGXWBY-UHFFFAOYSA-N 1 0 394.441 3.949 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467196524 1067143419 /nfs/dbraw/zinc/14/34/19/1067143419.db2.gz VYMCEFZESJSEJQ-SJORKVTESA-N 1 0 382.430 3.533 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001467340463 1067237646 /nfs/dbraw/zinc/23/76/46/1067237646.db2.gz OSUJSWQCZSNLTE-SZRHCGQDSA-N 1 0 382.479 3.681 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC001467582623 1067371211 /nfs/dbraw/zinc/37/12/11/1067371211.db2.gz NXFJSVNQLNAGIH-QRQLOZEOSA-N 1 0 389.540 3.741 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)s1 ZINC001467626809 1067389818 /nfs/dbraw/zinc/38/98/18/1067389818.db2.gz GFIRCNAIKNOQPT-UHFFFAOYSA-N 1 0 399.564 3.771 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 ZINC001467674758 1067412282 /nfs/dbraw/zinc/41/22/82/1067412282.db2.gz AUBZAUQYQWQEDF-FDFHNCONSA-N 1 0 382.552 3.978 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(-c2cccs2)nc2c1cnn2CC ZINC001467727243 1067438945 /nfs/dbraw/zinc/43/89/45/1067438945.db2.gz BMWSRSLVJHETKJ-UHFFFAOYSA-N 1 0 397.548 3.760 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001358305843 1067474553 /nfs/dbraw/zinc/47/45/53/1067474553.db2.gz LUPAONZRQSZBGA-OAQYLSRUSA-N 1 0 389.499 3.561 20 30 GHEDRO N#CCc1cccc2c1CCN(C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001467989871 1067556380 /nfs/dbraw/zinc/55/63/80/1067556380.db2.gz CZGSBEJMCVSJBB-UHFFFAOYSA-N 1 0 388.515 3.616 20 30 GHEDRO C#Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001468053430 1067581271 /nfs/dbraw/zinc/58/12/71/1067581271.db2.gz ZYPMEVBUYFLWRH-UHFFFAOYSA-N 1 0 381.907 3.785 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001358879031 1067592091 /nfs/dbraw/zinc/59/20/91/1067592091.db2.gz JOUTWHKLMOBGGW-NQIIRXRSSA-N 1 0 381.568 3.942 20 30 GHEDRO C#CCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001358915799 1067611655 /nfs/dbraw/zinc/61/16/55/1067611655.db2.gz PRTHITBUYGTTBI-IRLDBZIGSA-N 1 0 391.563 3.540 20 30 GHEDRO C#CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001358915072 1067611793 /nfs/dbraw/zinc/61/17/93/1067611793.db2.gz QWYFLQKADOUIOQ-FQEVSTJZSA-N 1 0 397.592 3.799 20 30 GHEDRO C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001358923450 1067614628 /nfs/dbraw/zinc/61/46/28/1067614628.db2.gz OCRQNNYLJNPXKA-SJORKVTESA-N 1 0 385.943 3.931 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2F)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358944921 1067625500 /nfs/dbraw/zinc/62/55/00/1067625500.db2.gz NJDROVCTEOYDJC-KRWDZBQOSA-N 1 0 383.496 3.518 20 30 GHEDRO C#CCN(C)c1nnc(CC2CCCC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001358951528 1067627458 /nfs/dbraw/zinc/62/74/58/1067627458.db2.gz AOUXDYJHPVNMDH-IBGZPJMESA-N 1 0 379.552 3.601 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2F)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001358950529 1067627690 /nfs/dbraw/zinc/62/76/90/1067627690.db2.gz OHCWURWTBGLPSK-IBGZPJMESA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001358984624 1067635106 /nfs/dbraw/zinc/63/51/06/1067635106.db2.gz CCWAFSKJRXMDIJ-IFMALSPDSA-N 1 0 391.563 3.866 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)[NH+](C)C ZINC001358988066 1067636464 /nfs/dbraw/zinc/63/64/64/1067636464.db2.gz BDOMQNQMCGIVPV-LJQANCHMSA-N 1 0 391.563 3.656 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001358993444 1067639831 /nfs/dbraw/zinc/63/98/31/1067639831.db2.gz NJXNWVFFVXNOMZ-OAQYLSRUSA-N 1 0 381.568 3.663 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359002945 1067644605 /nfs/dbraw/zinc/64/46/05/1067644605.db2.gz SJGJJYUFZREWSG-IBGZPJMESA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001359068203 1067668843 /nfs/dbraw/zinc/66/88/43/1067668843.db2.gz RNHPYXFBPYQMIL-AUSIDOKSSA-N 1 0 377.536 3.669 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC1([NH+](C)C)CCCC1 ZINC001359068502 1067669918 /nfs/dbraw/zinc/66/99/18/1067669918.db2.gz DCWXJUJUBLDURM-JOCHJYFZSA-N 1 0 392.551 3.515 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COCC)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359116604 1067695262 /nfs/dbraw/zinc/69/52/62/1067695262.db2.gz RIAWFDIVRUOHTD-NQIIRXRSSA-N 1 0 377.577 3.728 20 30 GHEDRO C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001359168204 1067722744 /nfs/dbraw/zinc/72/27/44/1067722744.db2.gz LTNPPXMPPXGSLR-LJQANCHMSA-N 1 0 383.540 3.580 20 30 GHEDRO Fc1cccc(Cn2cnc(C[NH+]=C(Nc3ccccc3)N3CCCCC3)n2)c1 ZINC000849106293 1067731358 /nfs/dbraw/zinc/73/13/58/1067731358.db2.gz HAIXGXNFIDRPGO-UHFFFAOYSA-N 1 0 392.482 3.920 20 30 GHEDRO C=CC1CCN(c2nnc(C3CC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001359177653 1067737005 /nfs/dbraw/zinc/73/70/05/1067737005.db2.gz WNSKEBOTRAGJMW-FQEVSTJZSA-N 1 0 383.515 4.000 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001359180897 1067742548 /nfs/dbraw/zinc/74/25/48/1067742548.db2.gz XFFUIVXHDHGQPX-INIZCTEOSA-N 1 0 385.581 3.816 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)C1C=CC(=NC(C)=O)C=C1)C(=S)NCC1CC1 ZINC000849175787 1067754101 /nfs/dbraw/zinc/75/41/01/1067754101.db2.gz VEHSIDFJYUNWMV-UHFFFAOYSA-O 1 0 396.536 3.518 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001359233474 1067836113 /nfs/dbraw/zinc/83/61/13/1067836113.db2.gz GRMXRKFHRODIJD-LJQANCHMSA-N 1 0 381.524 3.593 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359235273 1067839884 /nfs/dbraw/zinc/83/98/84/1067839884.db2.gz UHEQGYDPBMLPIY-UHFFFAOYSA-N 1 0 388.947 3.738 20 30 GHEDRO C=CCN(C)c1nnc(Cc2csc(C)n2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359242535 1067853920 /nfs/dbraw/zinc/85/39/20/1067853920.db2.gz IWOSXLSWBOIPFL-INIZCTEOSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC1([NH+](C)C)CCCC1 ZINC001359243327 1067855239 /nfs/dbraw/zinc/85/52/39/1067855239.db2.gz NUMLQLCPLAMCFS-UHFFFAOYSA-N 1 0 392.551 3.778 20 30 GHEDRO C=CCN(c1nnc(C(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC001359245877 1067871616 /nfs/dbraw/zinc/87/16/16/1067871616.db2.gz HNSRKQMCJFWYDY-UHFFFAOYSA-N 1 0 380.540 3.868 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849505939 1067882153 /nfs/dbraw/zinc/88/21/53/1067882153.db2.gz KOXXQGMGWJVMOL-SFTDATJTSA-N 1 0 398.526 3.588 20 30 GHEDRO C=CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC001359247776 1067884737 /nfs/dbraw/zinc/88/47/37/1067884737.db2.gz OWWPNXSFVTXLLZ-SFHVURJKSA-N 1 0 395.551 3.840 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001468843342 1067907567 /nfs/dbraw/zinc/90/75/67/1067907567.db2.gz PCTJAPGPVJWWJH-WIYYLYMNSA-N 1 0 379.504 3.714 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(N2CCCOCC2)nnc1C(C)(C)C)C(C)C ZINC001359266277 1067928953 /nfs/dbraw/zinc/92/89/53/1067928953.db2.gz XLTZLRFBZGKJKG-LJQANCHMSA-N 1 0 389.588 3.501 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359276173 1067945380 /nfs/dbraw/zinc/94/53/80/1067945380.db2.gz UXLXEZVQNCGADY-FQEVSTJZSA-N 1 0 385.556 3.783 20 30 GHEDRO C=CCSCCn1c(C(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001359337457 1068035585 /nfs/dbraw/zinc/03/55/85/1068035585.db2.gz STSFLYBFFVIETI-UHFFFAOYSA-N 1 0 399.608 3.951 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CCCCC[NH+]1CCCC1 ZINC001359470643 1068066778 /nfs/dbraw/zinc/06/67/78/1068066778.db2.gz CCTMSDGVMCIIRW-SFHVURJKSA-N 1 0 398.530 3.946 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC2CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359475145 1068070460 /nfs/dbraw/zinc/07/04/60/1068070460.db2.gz DNPGRXJWENDKEV-ZWKOTPCHSA-N 1 0 394.567 3.956 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cc1Cl ZINC001469986652 1068505220 /nfs/dbraw/zinc/50/52/20/1068505220.db2.gz WNCYYFMNJGUCEZ-UHFFFAOYSA-N 1 0 381.863 3.924 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC[N@H+](C)C1CCCC1 ZINC001360472032 1068520855 /nfs/dbraw/zinc/52/08/55/1068520855.db2.gz UHZQQQFJWAOZMV-MRXNPFEDSA-N 1 0 384.503 3.697 20 30 GHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)c1ccco1 ZINC001470134032 1068589974 /nfs/dbraw/zinc/58/99/74/1068589974.db2.gz LVUQYBYTKZMOFW-OXQOHEQNSA-N 1 0 380.492 3.543 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001460438535 1068965843 /nfs/dbraw/zinc/96/58/43/1068965843.db2.gz FAFYNNTZDHTOKS-FQEVSTJZSA-N 1 0 387.524 3.904 20 30 GHEDRO COC(=O)c1ccc(OCC[NH+]2CCC(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC001460501658 1068981540 /nfs/dbraw/zinc/98/15/40/1068981540.db2.gz LVHCIGLPVWFMNJ-UHFFFAOYSA-N 1 0 399.878 3.652 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC001460626323 1069040940 /nfs/dbraw/zinc/04/09/40/1069040940.db2.gz KSNMKIIESQGFKA-AQNXPRMDSA-N 1 0 399.853 3.576 20 30 GHEDRO C=C(C)[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC001478471828 1078882206 /nfs/dbraw/zinc/88/22/06/1078882206.db2.gz GDNFJPOLMZFESX-MGPUTAFESA-N 1 0 386.446 3.897 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001460950395 1069294071 /nfs/dbraw/zinc/29/40/71/1069294071.db2.gz QJCAPIMWYZJRMV-OFNKIYASSA-N 1 0 399.535 3.847 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]CCOc3ccccc3C#N)C(C)(C)[C@@H]21 ZINC001460972795 1069307397 /nfs/dbraw/zinc/30/73/97/1069307397.db2.gz AIYFXAROJJFTBA-MISYRCLQSA-N 1 0 399.535 3.951 20 30 GHEDRO N#CC1(CNC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)CCCC1 ZINC001470689700 1072688310 /nfs/dbraw/zinc/68/83/10/1072688310.db2.gz WBXPIRQXMPBSAX-UHFFFAOYSA-N 1 0 376.504 3.749 20 30 GHEDRO C[C@@]12CN(C(=O)/C=C\c3ccccc3C#N)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001470775007 1072731873 /nfs/dbraw/zinc/73/18/73/1072731873.db2.gz CXYOYFCCNKRQOI-RPSDQGFSSA-N 1 0 385.511 3.942 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC001478895677 1079018660 /nfs/dbraw/zinc/01/86/60/1079018660.db2.gz FMXGGHAGHOOPLO-QGZVFWFLSA-N 1 0 392.341 3.639 20 30 GHEDRO C#C[C@H](NC(=O)N(CCC)CC[NH+](CC)CC)c1ccc(Br)cc1 ZINC001478896556 1079019226 /nfs/dbraw/zinc/01/92/26/1079019226.db2.gz PAVDTWWNZURKCI-SFHVURJKSA-N 1 0 394.357 3.887 20 30 GHEDRO C#CC1(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCC1 ZINC001471486098 1073098566 /nfs/dbraw/zinc/09/85/66/1073098566.db2.gz ODGYGDFNHOLILJ-XZOQPEGZSA-N 1 0 387.527 3.900 20 30 GHEDRO C#C[C@H]1CCCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001471486061 1073098841 /nfs/dbraw/zinc/09/88/41/1073098841.db2.gz NKBBCWVTASLMJL-NKKJXINNSA-N 1 0 387.527 3.709 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001478964893 1079042801 /nfs/dbraw/zinc/04/28/01/1079042801.db2.gz ZAAFQNAFCJTGTQ-RTWAWAEBSA-N 1 0 377.573 3.655 20 30 GHEDRO C=CCCC[C@H](NC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001479191498 1079144287 /nfs/dbraw/zinc/14/42/87/1079144287.db2.gz XEAOTQYZDFLKPM-NRFANRHFSA-N 1 0 386.584 3.799 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCC2(CCC2)CO1 ZINC001472962323 1073735904 /nfs/dbraw/zinc/73/59/04/1073735904.db2.gz KPIRHDIOBLTZJN-SFHVURJKSA-N 1 0 390.597 3.934 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001473398325 1073949399 /nfs/dbraw/zinc/94/93/99/1073949399.db2.gz JFJHKNATCYDKNE-QGZVFWFLSA-N 1 0 383.517 3.600 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC001473416939 1073955449 /nfs/dbraw/zinc/95/54/49/1073955449.db2.gz WAUZIKYYCLVIBL-HSZRJFAPSA-N 1 0 389.543 3.887 20 30 GHEDRO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473672735 1074078232 /nfs/dbraw/zinc/07/82/32/1074078232.db2.gz QGOSMHHDXXRKQK-HXUWFJFHSA-N 1 0 391.899 3.736 20 30 GHEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001473780016 1074138431 /nfs/dbraw/zinc/13/84/31/1074138431.db2.gz XOFXIZLQZMQTHU-HNNXBMFYSA-N 1 0 392.396 3.971 20 30 GHEDRO CO[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CCC1 ZINC001473847351 1074172675 /nfs/dbraw/zinc/17/26/75/1074172675.db2.gz AJFGPLBEXDYORP-OUAUKWLOSA-N 1 0 381.307 3.904 20 30 GHEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001473895043 1074194263 /nfs/dbraw/zinc/19/42/63/1074194263.db2.gz YBSHSPBSVUAEGW-VQFNDLOPSA-N 1 0 391.899 3.539 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCc2csc(N(C)C)n2)cc1OC ZINC001473989413 1074227891 /nfs/dbraw/zinc/22/78/91/1074227891.db2.gz BEAMQWIYZMAQHY-UHFFFAOYSA-N 1 0 381.929 3.768 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)C1CC1 ZINC001474096973 1074262324 /nfs/dbraw/zinc/26/23/24/1074262324.db2.gz HAIUBVAYLWQBAN-INIZCTEOSA-N 1 0 394.313 3.714 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC001474211334 1074295064 /nfs/dbraw/zinc/29/50/64/1074295064.db2.gz PLFSQLTUOFPFPH-JOCHJYFZSA-N 1 0 384.907 3.737 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(CCC)C2)cc1OCC ZINC001474220428 1074298128 /nfs/dbraw/zinc/29/81/28/1074298128.db2.gz GKRYQEQRPRQNTI-MRXNPFEDSA-N 1 0 397.357 3.987 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@](O)(c2ccccc2Cl)C(F)(F)F)cc1C#N ZINC001474306958 1074333852 /nfs/dbraw/zinc/33/38/52/1074333852.db2.gz LUDBDNOEVMIYDT-QGZVFWFLSA-N 1 0 384.785 3.760 20 30 GHEDRO COC(=O)[C@@H]1C[C@H]1c1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001474658657 1074503498 /nfs/dbraw/zinc/50/34/98/1074503498.db2.gz OULIZDJARTZJKD-XZOQPEGZSA-N 1 0 389.499 3.911 20 30 GHEDRO C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001493740812 1079291000 /nfs/dbraw/zinc/29/10/00/1079291000.db2.gz QSGNHXHQFDWZPL-IBGZPJMESA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCC(C)CC1 ZINC001493865992 1079304884 /nfs/dbraw/zinc/30/48/84/1079304884.db2.gz MSKKEVPTALLTPV-PGRDOPGGSA-N 1 0 384.572 3.796 20 30 GHEDRO CC1CC[NH+](CCCn2c(C3CCC3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001494064978 1079320729 /nfs/dbraw/zinc/32/07/29/1079320729.db2.gz YGJYHTDKWPTCKI-UHFFFAOYSA-N 1 0 384.572 3.798 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC001475201437 1074782802 /nfs/dbraw/zinc/78/28/02/1074782802.db2.gz VUFUONANVORYCR-QGZVFWFLSA-N 1 0 380.485 3.549 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001502078097 1079631467 /nfs/dbraw/zinc/63/14/67/1079631467.db2.gz HTSMQBKROSQKIF-SFHVURJKSA-N 1 0 392.551 3.785 20 30 GHEDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001654634226 1126254330 /nfs/dbraw/zinc/25/43/30/1126254330.db2.gz ULMNOHQHTDEPMZ-IBGZPJMESA-N 1 0 378.394 3.669 20 30 GHEDRO C=CCCCCC[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735409332 598866137 /nfs/dbraw/zinc/86/61/37/598866137.db2.gz ZVSIDPOPMSGILZ-UHFFFAOYSA-N 1 0 376.892 3.527 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)cc1 ZINC000737718921 598562025 /nfs/dbraw/zinc/56/20/25/598562025.db2.gz QJRKGSFSKIBRFS-UHFFFAOYSA-N 1 0 396.454 3.607 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736793030 600593724 /nfs/dbraw/zinc/59/37/24/600593724.db2.gz IJDWJFHHHCJBCQ-VGOFRKELSA-N 1 0 377.488 3.706 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736799018 600593781 /nfs/dbraw/zinc/59/37/81/600593781.db2.gz LREVORLMXJJLNN-QFIPXVFZSA-N 1 0 377.488 3.706 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828257569 601300563 /nfs/dbraw/zinc/30/05/63/601300563.db2.gz GARMWDUWCUECEY-VGSWGCGISA-N 1 0 377.488 3.848 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825039568 608521313 /nfs/dbraw/zinc/52/13/13/608521313.db2.gz UCARJPDCFHCBAF-WIYYLYMNSA-N 1 0 388.475 3.715 20 30 GHEDRO C=CC[N@@H+](Cc1cc2cc(OC)ccc2o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914623 608632251 /nfs/dbraw/zinc/63/22/51/608632251.db2.gz JZNIRBDDKIWALX-UHFFFAOYSA-N 1 0 375.432 3.810 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824554225 609151417 /nfs/dbraw/zinc/15/14/17/609151417.db2.gz NTGMWKNCJUAAFF-GFCCVEGCSA-N 1 0 389.356 3.727 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164627023 719043996 /nfs/dbraw/zinc/04/39/96/719043996.db2.gz UBKFTSKCHURDRN-VQIMIIECSA-N 1 0 388.849 3.735 20 30 GHEDRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)C[C@H]21 ZINC001164667762 719482015 /nfs/dbraw/zinc/48/20/15/719482015.db2.gz MQRRKAPWYPNGGK-PKTZIBPZSA-N 1 0 396.494 3.806 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4c(cc2C#N)CCC4)CC3)cs1 ZINC001164691195 719813715 /nfs/dbraw/zinc/81/37/15/719813715.db2.gz ATFXBJOQAHNODX-UHFFFAOYSA-N 1 0 393.560 3.842 20 30 GHEDRO N#Cc1cnc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696115 719887201 /nfs/dbraw/zinc/88/72/01/719887201.db2.gz XTHJBWWBROYJTH-UHFFFAOYSA-N 1 0 388.924 3.540 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Cl)c3C#N)C[C@H]21 ZINC001165028446 721806122 /nfs/dbraw/zinc/80/61/22/721806122.db2.gz ZBQJAYHKGYVGDA-XFQXTVEOSA-N 1 0 381.911 3.739 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)C[C@@H]21 ZINC001165026066 721820921 /nfs/dbraw/zinc/82/09/21/721820921.db2.gz PAAVZGQKJHDDMC-NBHGPNQESA-N 1 0 386.503 3.566 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2C2CC2)c1 ZINC000580957682 837443352 /nfs/dbraw/zinc/44/33/52/837443352.db2.gz JXVVLWXNRLTYST-RXVVDRJESA-N 1 0 388.519 3.605 20 30 GHEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000376468256 837445891 /nfs/dbraw/zinc/44/58/91/837445891.db2.gz JSCIUURDQYFHSX-XLIONFOSSA-N 1 0 394.519 3.613 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000176659755 837481616 /nfs/dbraw/zinc/48/16/16/837481616.db2.gz HZPUAOIBTYFQLV-UHFFFAOYSA-N 1 0 381.480 3.776 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000180762863 837522595 /nfs/dbraw/zinc/52/25/95/837522595.db2.gz NMZGACQFUPUVLP-SWLSCSKDSA-N 1 0 376.806 3.632 20 30 GHEDRO CCOc1ccc(O)c(/C=N\[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000255072291 837557307 /nfs/dbraw/zinc/55/73/07/837557307.db2.gz DNZUQCFJBJSSMJ-VLZFXTDASA-N 1 0 384.476 3.502 20 30 GHEDRO COc1ccc(CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000180130550 837686437 /nfs/dbraw/zinc/68/64/37/837686437.db2.gz LKPGNZDDFUYRBE-UHFFFAOYSA-N 1 0 390.487 3.698 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](C3CCCCC3)CC2)c1C ZINC000163098066 834488346 /nfs/dbraw/zinc/48/83/46/834488346.db2.gz LJNUMDZZNWRBSN-UHFFFAOYSA-N 1 0 382.552 3.500 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000175274162 834492891 /nfs/dbraw/zinc/49/28/91/834492891.db2.gz KQLUXWZLKSXUMY-CTNGQTDRSA-N 1 0 391.515 3.696 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(Cl)c2)c(OC)c1 ZINC000301314356 834623014 /nfs/dbraw/zinc/62/30/14/834623014.db2.gz JDAGHSZHESUANW-IBGZPJMESA-N 1 0 375.896 3.949 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000120140948 834637286 /nfs/dbraw/zinc/63/72/86/834637286.db2.gz XCXMPHRFVSEVFC-QGZVFWFLSA-N 1 0 386.515 3.883 20 30 GHEDRO C=CC[N@@H+](CC/C=C/c1cncc(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000583562080 834649181 /nfs/dbraw/zinc/64/91/81/834649181.db2.gz ZHVDAKHYMPYIHK-MOTZXUDYSA-N 1 0 390.491 3.718 20 30 GHEDRO C=C[C@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000245640442 834675504 /nfs/dbraw/zinc/67/55/04/834675504.db2.gz KJNLBSREUNJHBP-TZIWHRDSSA-N 1 0 391.515 3.682 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584457721 834690230 /nfs/dbraw/zinc/69/02/30/834690230.db2.gz YIIMTOGCADQNNT-RYGJVYDSSA-N 1 0 393.934 3.793 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000642680766 834723670 /nfs/dbraw/zinc/72/36/70/834723670.db2.gz QCHVFYIVPPCJAD-RTBURBONSA-N 1 0 394.515 3.791 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000583626174 834771153 /nfs/dbraw/zinc/77/11/53/834771153.db2.gz HSFHVYLPJZCHBA-NEWJYFPISA-N 1 0 381.516 3.643 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1OC ZINC000246204470 834823469 /nfs/dbraw/zinc/82/34/69/834823469.db2.gz MAVRUVUPFGNGPR-GOEBONIOSA-N 1 0 384.314 3.615 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccco1 ZINC000246389768 834890022 /nfs/dbraw/zinc/89/00/22/834890022.db2.gz PFNSOBKHPIIJPD-FUHWJXTLSA-N 1 0 399.564 3.766 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1C ZINC000471147210 835031283 /nfs/dbraw/zinc/03/12/83/835031283.db2.gz JOHKBSIIZSJTFT-GAJHUEQPSA-N 1 0 385.552 3.717 20 30 GHEDRO CN1CCC(CNC(=O)c2cc(O)c3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000329438292 835041044 /nfs/dbraw/zinc/04/10/44/835041044.db2.gz AODDYZOZGCMKQR-UHFFFAOYSA-N 1 0 381.520 3.800 20 30 GHEDRO COc1cc(F)c([C@@H](C)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1OC ZINC000329457708 835072587 /nfs/dbraw/zinc/07/25/87/835072587.db2.gz QQYYUJBTYPTKLY-OAHLLOKOSA-N 1 0 393.503 3.768 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2(CCO)CCCC2)cc1OC ZINC000512495954 844019913 /nfs/dbraw/zinc/01/99/13/844019913.db2.gz GCMKHPXFQOXWCW-UHFFFAOYSA-N 1 0 384.314 3.807 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000685549297 835154234 /nfs/dbraw/zinc/15/42/34/835154234.db2.gz APYJQAZIMHVEAI-YOUFYPILSA-N 1 0 395.551 3.661 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C12CCCCC2 ZINC000610215824 835169749 /nfs/dbraw/zinc/16/97/49/835169749.db2.gz INQAQDNQUQRGJN-NHCUHLMSSA-N 1 0 383.536 3.993 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)C12CCCCC2 ZINC000610216770 835193425 /nfs/dbraw/zinc/19/34/25/835193425.db2.gz RUJXTNOITFKHDM-ILWGZMRPSA-N 1 0 386.536 3.552 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167070974 835196039 /nfs/dbraw/zinc/19/60/39/835196039.db2.gz OSMLGXYVASQDOD-UHFFFAOYSA-N 1 0 389.503 3.711 20 30 GHEDRO C[C@H](Sc1ccc(C#N)cc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000610219083 835203968 /nfs/dbraw/zinc/20/39/68/835203968.db2.gz UDHNXTLWMJWJGO-INIZCTEOSA-N 1 0 397.519 3.959 20 30 GHEDRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000510100302 835227894 /nfs/dbraw/zinc/22/78/94/835227894.db2.gz BFEORBCSYZVTSF-UHFFFAOYSA-N 1 0 380.435 3.961 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000583901837 835230724 /nfs/dbraw/zinc/23/07/24/835230724.db2.gz UXIYNHCOLLLYNJ-LJQANCHMSA-N 1 0 381.455 3.611 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3CCC[N@H+](CC4CCCCC4)CC3)o2)c1 ZINC000333109566 844031767 /nfs/dbraw/zinc/03/17/67/844031767.db2.gz RVARRTYLHUUGIV-UHFFFAOYSA-N 1 0 379.508 3.696 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Cl)cc4cccnc43)CC2)nc1 ZINC000157589038 835251712 /nfs/dbraw/zinc/25/17/12/835251712.db2.gz NRZSVMUPBWPBHI-UHFFFAOYSA-N 1 0 377.879 3.913 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](C[C@H]1COC3(CCCCC3)O1)CC2 ZINC001208635974 835271261 /nfs/dbraw/zinc/27/12/61/835271261.db2.gz IBNRFKDAPDAFMV-IBGZPJMESA-N 1 0 392.540 3.563 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2c2cccn2C)cc1 ZINC000472351081 835329818 /nfs/dbraw/zinc/32/98/18/835329818.db2.gz VOJVCMUWXNJQQI-JOCHJYFZSA-N 1 0 394.519 3.898 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247985147 835364003 /nfs/dbraw/zinc/36/40/03/835364003.db2.gz IDXOKHQDMXNCCK-FCHUYYIVSA-N 1 0 379.504 3.838 20 30 GHEDRO COc1ccc(Cl)cc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278568183 835425123 /nfs/dbraw/zinc/42/51/23/835425123.db2.gz DFPLYFHLLBAFSV-UHFFFAOYSA-N 1 0 381.867 3.811 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101859 835477157 /nfs/dbraw/zinc/47/71/57/835477157.db2.gz UKHRFPGPGLTUOJ-FFZOFVMBSA-N 1 0 377.448 3.574 20 30 GHEDRO C=CCOCCC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000658210107 835509556 /nfs/dbraw/zinc/50/95/56/835509556.db2.gz OEEUWPGQGMAUSJ-ZDUSSCGKSA-N 1 0 379.302 3.582 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000548864256 835532855 /nfs/dbraw/zinc/53/28/55/835532855.db2.gz GUCYATUJGMKDAV-UHFFFAOYSA-N 1 0 378.472 3.901 20 30 GHEDRO CCOC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000428748918 844062117 /nfs/dbraw/zinc/06/21/17/844062117.db2.gz ODRHEYMEMBGRLG-OAHLLOKOSA-N 1 0 389.565 3.964 20 30 GHEDRO CCOC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000428748916 844062288 /nfs/dbraw/zinc/06/22/88/844062288.db2.gz ODRHEYMEMBGRLG-HNNXBMFYSA-N 1 0 389.565 3.964 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1)C1N=CC=CC1=O ZINC000254994724 835569487 /nfs/dbraw/zinc/56/94/87/835569487.db2.gz IAEPXVYENCWJBO-VHEBQXMUSA-N 1 0 387.892 3.685 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1OCCCC#N ZINC000278622916 835578115 /nfs/dbraw/zinc/57/81/15/835578115.db2.gz DVZUWOJWCFFKIM-GOSISDBHSA-N 1 0 392.858 3.993 20 30 GHEDRO CC(C)c1ccccc1NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255692225 835580369 /nfs/dbraw/zinc/58/03/69/835580369.db2.gz FDXPHFHQZPCEPL-UHFFFAOYSA-N 1 0 381.476 3.636 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432871482 844072454 /nfs/dbraw/zinc/07/24/54/844072454.db2.gz HZNUYGBJARFXQC-AUUYWEPGSA-N 1 0 378.394 3.816 20 30 GHEDRO CC[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000134485581 835753369 /nfs/dbraw/zinc/75/33/69/835753369.db2.gz IVIPEJCWNDXFHD-KRWDZBQOSA-N 1 0 397.544 3.710 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245966823 835755133 /nfs/dbraw/zinc/75/51/33/835755133.db2.gz DUAXAYIKMFZVSL-RTBURBONSA-N 1 0 382.552 3.862 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000179748772 835760166 /nfs/dbraw/zinc/76/01/66/835760166.db2.gz MPXYEMRFYOKXLD-UHFFFAOYSA-N 1 0 391.515 3.898 20 30 GHEDRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000584222677 835771929 /nfs/dbraw/zinc/77/19/29/835771929.db2.gz AJOJKHYLVABQAB-UHFFFAOYSA-N 1 0 384.277 3.847 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)CC2 ZINC000584321280 835876880 /nfs/dbraw/zinc/87/68/80/835876880.db2.gz NKDOGUFKPCHANG-IBGZPJMESA-N 1 0 398.304 3.718 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000179721534 835956611 /nfs/dbraw/zinc/95/66/11/835956611.db2.gz CARLLAJTBBPQFC-ZWGXDWAISA-N 1 0 387.430 3.741 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134778661 835964445 /nfs/dbraw/zinc/96/44/45/835964445.db2.gz XXHNFLGQCGQHIZ-VMRPVKRXSA-N 1 0 381.451 3.612 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000535628173 836028620 /nfs/dbraw/zinc/02/86/20/836028620.db2.gz FWCBOBAOBAYFMW-LJQANCHMSA-N 1 0 379.504 3.752 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4c(Cl)cccc43)C2=O)cc1 ZINC000569762027 836040982 /nfs/dbraw/zinc/04/09/82/836040982.db2.gz JSZXJBPGAIYUPO-RTWAWAEBSA-N 1 0 379.891 3.980 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[NH+]2CCCCC2)cc1 ZINC000612355625 836109292 /nfs/dbraw/zinc/10/92/92/836109292.db2.gz CELINIOAUSDYTP-IRLDBZIGSA-N 1 0 384.524 3.557 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[C@@H](C)C1 ZINC000471240648 836206274 /nfs/dbraw/zinc/20/62/74/836206274.db2.gz AIEFUFKNLABGQA-KKSFZXQISA-N 1 0 399.583 3.692 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000179876735 836208301 /nfs/dbraw/zinc/20/83/01/836208301.db2.gz CPSPCUJFIFNCTD-GGAORHGYSA-N 1 0 388.515 3.851 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000179881829 836226762 /nfs/dbraw/zinc/22/67/62/836226762.db2.gz SSMDPAKTTZGUTK-UXHICEINSA-N 1 0 398.894 3.714 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccc(C#N)cc1 ZINC000548937285 836371264 /nfs/dbraw/zinc/37/12/64/836371264.db2.gz XYMODWSENSBLJK-LLVKDONJSA-N 1 0 387.365 3.743 20 30 GHEDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccco1 ZINC000180152316 836373807 /nfs/dbraw/zinc/37/38/07/836373807.db2.gz BXXBGFQTMFFOFU-FQEVSTJZSA-N 1 0 377.492 3.724 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000548938307 836380255 /nfs/dbraw/zinc/38/02/55/836380255.db2.gz OYFYIXLCLYGBEC-UXHICEINSA-N 1 0 394.567 3.925 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000414169012 836385291 /nfs/dbraw/zinc/38/52/91/836385291.db2.gz ASNUHOVMJRJJGK-CJNGLKHVSA-N 1 0 391.284 3.962 20 30 GHEDRO Fc1cccc(-c2nc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)co2)c1 ZINC000255051275 836512671 /nfs/dbraw/zinc/51/26/71/836512671.db2.gz DGIAKTASDHXHOP-UHFFFAOYSA-N 1 0 381.407 3.868 20 30 GHEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1n1ccnc1 ZINC000247548813 844181163 /nfs/dbraw/zinc/18/11/63/844181163.db2.gz KIUZEQVUUUMGEF-CRAIPNDOSA-N 1 0 397.548 3.607 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OC)c(OC)c1 ZINC000510171187 836607987 /nfs/dbraw/zinc/60/79/87/836607987.db2.gz UIMLTAVHWUQRIM-MRXNPFEDSA-N 1 0 387.867 3.908 20 30 GHEDRO CCOc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1OC ZINC000180214820 836719758 /nfs/dbraw/zinc/71/97/58/836719758.db2.gz WGQDRPHQURFZMA-UHFFFAOYSA-N 1 0 376.460 3.656 20 30 GHEDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658933190 836797218 /nfs/dbraw/zinc/79/72/18/836797218.db2.gz ZTGTWWLKTBGZMJ-BXKDBHETSA-N 1 0 386.311 3.928 20 30 GHEDRO Cc1nc(SCC(=O)Nc2ccc(C[NH+](C)C)cc2F)c(C#N)c(C)c1C ZINC000413934323 836844894 /nfs/dbraw/zinc/84/48/94/836844894.db2.gz ANNXZMJACZMBGE-UHFFFAOYSA-N 1 0 386.496 3.810 20 30 GHEDRO Cn1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180243526 836854480 /nfs/dbraw/zinc/85/44/80/836854480.db2.gz AVOAYYZJCKPKAG-JOCHJYFZSA-N 1 0 394.519 3.509 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2noc(-c3cc4ccccc4n3CC#N)n2)cc1 ZINC000612897392 836927560 /nfs/dbraw/zinc/92/75/60/836927560.db2.gz BGEJTJSGORNREB-UHFFFAOYSA-N 1 0 387.443 3.822 20 30 GHEDRO N#Cc1ccc(CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000170944972 837000625 /nfs/dbraw/zinc/00/06/25/837000625.db2.gz UNNRVAAMKQOEMV-UHFFFAOYSA-N 1 0 381.907 3.783 20 30 GHEDRO N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1-n1ccc(C[NH3+])cc1=N ZINC001167692263 837008168 /nfs/dbraw/zinc/00/81/68/837008168.db2.gz FCEVFTWBRPRHTQ-UHFFFAOYSA-N 1 0 377.757 3.508 20 30 GHEDRO CC1(C)CC(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000430402995 837030186 /nfs/dbraw/zinc/03/01/86/837030186.db2.gz NHCUDPMTLULTHH-UHFFFAOYSA-N 1 0 379.508 3.503 20 30 GHEDRO Cc1cc(-c2noc([C@@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)ccc1Cl ZINC001211640689 837031166 /nfs/dbraw/zinc/03/11/66/837031166.db2.gz NBJHFPMERUVTPW-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO Cc1cc(Cl)ccc1-c1noc([C@H](c2cccc(C#N)c2)N2CC[NH2+]CC2)n1 ZINC001211640809 837037564 /nfs/dbraw/zinc/03/75/64/837037564.db2.gz PSJAIKBASVSCFX-IBGZPJMESA-N 1 0 393.878 3.565 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C)cc1 ZINC000027480217 837053495 /nfs/dbraw/zinc/05/34/95/837053495.db2.gz UGJNNMKGDNALPF-UHFFFAOYSA-O 1 0 395.520 3.842 20 30 GHEDRO Cc1ccc(-c2noc([C@@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)cc1Cl ZINC001211640925 837061599 /nfs/dbraw/zinc/06/15/99/837061599.db2.gz SBKVSZKBDUVZRJ-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066676042 837162594 /nfs/dbraw/zinc/16/25/94/837162594.db2.gz OCCAPRQTQCGXSZ-LJQANCHMSA-N 1 0 391.515 3.696 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000180349948 837168935 /nfs/dbraw/zinc/16/89/35/837168935.db2.gz DVBOOWZKDIKEOL-INIZCTEOSA-N 1 0 398.470 3.902 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)sc2c1CCCC2 ZINC000580248579 837319672 /nfs/dbraw/zinc/31/96/72/837319672.db2.gz OOLLEDGLAXWHBT-PXNSSMCTSA-N 1 0 399.560 3.861 20 30 GHEDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCOc1ccc(C#N)cc1 ZINC000181155717 837858114 /nfs/dbraw/zinc/85/81/14/837858114.db2.gz HMPQYEKKAPPJMZ-CQSZACIVSA-N 1 0 391.393 3.963 20 30 GHEDRO C[C@H](c1nnc(SCCOCCC#N)n1-c1ccccc1)N1CCCCC1 ZINC000549340789 838015261 /nfs/dbraw/zinc/01/52/61/838015261.db2.gz ZZHYYKXJMLKBRM-QGZVFWFLSA-N 1 0 385.537 3.837 20 30 GHEDRO C[NH+](C)CC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCCCC1 ZINC000471449012 838153808 /nfs/dbraw/zinc/15/38/08/838153808.db2.gz AEZCZPVVXUJIJO-UHFFFAOYSA-N 1 0 396.535 3.720 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)NC)c1)C(C)C ZINC000047814965 838205436 /nfs/dbraw/zinc/20/54/36/838205436.db2.gz JAHZMUCUQSLMRJ-GOSISDBHSA-N 1 0 392.931 3.520 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000201168781 838265850 /nfs/dbraw/zinc/26/58/50/838265850.db2.gz PUEJHQOQMJGLFR-LJQANCHMSA-N 1 0 375.472 3.659 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000328895701 838307185 /nfs/dbraw/zinc/30/71/85/838307185.db2.gz BNLODJIQCOSRPD-HKBOAZHASA-N 1 0 398.551 3.786 20 30 GHEDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267388 838327910 /nfs/dbraw/zinc/32/79/10/838327910.db2.gz JDCLQWUVIFNIPB-WMZOPIPTSA-N 1 0 378.520 3.959 20 30 GHEDRO CC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000134072941 838338358 /nfs/dbraw/zinc/33/83/58/838338358.db2.gz YFLNPMWHRALVQY-HXUWFJFHSA-N 1 0 391.537 3.539 20 30 GHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)cc1F ZINC000613579959 838415470 /nfs/dbraw/zinc/41/54/70/838415470.db2.gz BPURLRXLVDZKFH-NRFANRHFSA-N 1 0 382.483 3.653 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000610319777 838417296 /nfs/dbraw/zinc/41/72/96/838417296.db2.gz JXEDYMYRQZPGTD-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[N@@H+]1C ZINC000610320997 838426858 /nfs/dbraw/zinc/42/68/58/838426858.db2.gz BFBGZZXDICXSMP-MAUKXSAKSA-N 1 0 379.464 3.692 20 30 GHEDRO CCCCCCCCC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC ZINC000122257056 838542104 /nfs/dbraw/zinc/54/21/04/838542104.db2.gz SPUXGFOSYJTSBF-UHFFFAOYSA-N 1 0 389.540 3.772 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000128446576 838557637 /nfs/dbraw/zinc/55/76/37/838557637.db2.gz NIRIKBIXPNHHDA-CYBMUJFWSA-N 1 0 382.407 3.702 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000180543226 838606315 /nfs/dbraw/zinc/60/63/15/838606315.db2.gz NNVFYPNOQYGHDS-GOSISDBHSA-N 1 0 378.520 3.975 20 30 GHEDRO C=CCOCCCC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378195590 838608399 /nfs/dbraw/zinc/60/83/99/838608399.db2.gz COZOAWRXNICPLP-HXUWFJFHSA-N 1 0 382.508 3.560 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2c(C)c(C#N)nn2-c2ccccc2)o1 ZINC000891154023 838617222 /nfs/dbraw/zinc/61/72/22/838617222.db2.gz HXHSDKZWALYDLI-UHFFFAOYSA-N 1 0 377.448 3.740 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CCc3ccc(C#N)cc3)c2)CC1 ZINC000122281364 838661985 /nfs/dbraw/zinc/66/19/85/838661985.db2.gz IEJSZQHNHXTAPX-UHFFFAOYSA-N 1 0 376.504 3.660 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(Cl)cc1 ZINC000579422366 838695565 /nfs/dbraw/zinc/69/55/65/838695565.db2.gz MVBRYGCETRSTCG-LJQANCHMSA-N 1 0 394.862 3.899 20 30 GHEDRO N#Cc1csc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000177693471 838715386 /nfs/dbraw/zinc/71/53/86/838715386.db2.gz VIEBRHBIVLTHLY-SFHVURJKSA-N 1 0 395.450 3.802 20 30 GHEDRO Cn1ccnc1C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 ZINC000610366831 838717362 /nfs/dbraw/zinc/71/73/62/838717362.db2.gz FPBYMTWUUXRGPB-SFHVURJKSA-N 1 0 390.491 3.954 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)CC1 ZINC000378276305 838748857 /nfs/dbraw/zinc/74/88/57/838748857.db2.gz YANPCBDYVHACPV-UHFFFAOYSA-N 1 0 391.519 3.764 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023739785 838841353 /nfs/dbraw/zinc/84/13/53/838841353.db2.gz GVKDIBLGWITSSN-HXUWFJFHSA-N 1 0 388.471 3.817 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000580098946 838865574 /nfs/dbraw/zinc/86/55/74/838865574.db2.gz JIJJSFYCOXZETN-UHFFFAOYSA-N 1 0 390.535 3.532 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000120244932 838936050 /nfs/dbraw/zinc/93/60/50/838936050.db2.gz ZRXOFFZBVPEGJY-OAQYLSRUSA-N 1 0 396.491 3.829 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000048160175 844385630 /nfs/dbraw/zinc/38/56/30/844385630.db2.gz SSOKLFGOHGYGPR-UHFFFAOYSA-N 1 0 392.503 3.520 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)c1 ZINC000549151391 839059297 /nfs/dbraw/zinc/05/92/97/839059297.db2.gz MFLDWYDBMRUQKP-UHFFFAOYSA-N 1 0 392.478 3.553 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000610403088 839075362 /nfs/dbraw/zinc/07/53/62/839075362.db2.gz MOATWGONRFKAJN-NYLDSWQDSA-N 1 0 398.551 3.764 20 30 GHEDRO C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(C#N)c1 ZINC000610403017 839078879 /nfs/dbraw/zinc/07/88/79/839078879.db2.gz SSUKJDZBABCSCU-QGZVFWFLSA-N 1 0 386.565 3.670 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)Nc1c(C)cccc1C ZINC000172580106 839110228 /nfs/dbraw/zinc/11/02/28/839110228.db2.gz OGRVTSGJGJKOJZ-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000549165316 839116343 /nfs/dbraw/zinc/11/63/43/839116343.db2.gz KKANZMYSUVVWIZ-LBPRGKRZSA-N 1 0 379.357 3.683 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000610408155 839134886 /nfs/dbraw/zinc/13/48/86/839134886.db2.gz KXOPDYIKOGXFRC-OAHLLOKOSA-N 1 0 386.446 3.671 20 30 GHEDRO N#Cc1ccc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(CO)c1 ZINC000892810340 839142947 /nfs/dbraw/zinc/14/29/47/839142947.db2.gz CGKDIKRZTTUKJS-UHFFFAOYSA-N 1 0 379.504 3.534 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415090530 839181483 /nfs/dbraw/zinc/18/14/83/839181483.db2.gz XUBASOBWHJLXSZ-NVXWUHKLSA-N 1 0 380.448 3.751 20 30 GHEDRO N#CCCn1cc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2ccccc2)n1 ZINC000377254610 839181528 /nfs/dbraw/zinc/18/15/28/839181528.db2.gz VZALRKPPHWSPJI-HSZRJFAPSA-N 1 0 397.482 3.909 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378483103 839195187 /nfs/dbraw/zinc/19/51/87/839195187.db2.gz OIWIMBNZOZXGJM-PMACEKPBSA-N 1 0 395.453 3.743 20 30 GHEDRO N#CC1(NC(=O)C/C=C/c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000378484380 839206893 /nfs/dbraw/zinc/20/68/93/839206893.db2.gz UWBPIOYRFXNXRN-QPJJXVBHSA-N 1 0 377.463 3.904 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415115432 839225396 /nfs/dbraw/zinc/22/53/96/839225396.db2.gz DSQRFZCDOXTRRE-MOPGFXCFSA-N 1 0 378.476 3.837 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415121297 839240677 /nfs/dbraw/zinc/24/06/77/839240677.db2.gz JUNUFLQIHXPVMH-IRXDYDNUSA-N 1 0 378.476 3.660 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415129618 839255012 /nfs/dbraw/zinc/25/50/12/839255012.db2.gz VEILCUIYTXKIAT-IIBYNOLFSA-N 1 0 378.476 3.565 20 30 GHEDRO C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000023753005 839436219 /nfs/dbraw/zinc/43/62/19/839436219.db2.gz SFRGWEBVRZRXBN-KRWDZBQOSA-N 1 0 397.906 3.713 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000561137716 839718446 /nfs/dbraw/zinc/71/84/46/839718446.db2.gz KYJVFJLFAPXPPA-XLIONFOSSA-N 1 0 390.405 3.984 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549279081 839762283 /nfs/dbraw/zinc/76/22/83/839762283.db2.gz FKXCXRKUZOWHBJ-UHFFFAOYSA-N 1 0 397.567 3.962 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000510335771 840078469 /nfs/dbraw/zinc/07/84/69/840078469.db2.gz IOGIQIHDCQAPJC-HXUWFJFHSA-N 1 0 378.476 3.916 20 30 GHEDRO CC[C@@H]1CN(C(NCc2nnc3n2CCCCC3)=[NH+]C)CC[C@@H]1c1ccccc1 ZINC000261655293 840114602 /nfs/dbraw/zinc/11/46/02/840114602.db2.gz AMDZHIYTIHRZCD-QUCCMNQESA-N 1 0 394.567 3.596 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000119324811 840271787 /nfs/dbraw/zinc/27/17/87/840271787.db2.gz WTPQQPRYTOGOEN-UHFFFAOYSA-N 1 0 376.382 3.571 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561185852 840280170 /nfs/dbraw/zinc/28/01/70/840280170.db2.gz KOSSTQGLWNVCAT-SVCSISOJSA-N 1 0 388.515 3.974 20 30 GHEDRO CC1(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC[NH2+]CC1 ZINC000418517162 840380992 /nfs/dbraw/zinc/38/09/92/840380992.db2.gz KHJIEYNEDOSNKA-UHFFFAOYSA-N 1 0 394.494 3.799 20 30 GHEDRO C[C@@](CO)([NH2+]CCCOc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000511597809 840387523 /nfs/dbraw/zinc/38/75/23/840387523.db2.gz VVQTXEAMJHUHRV-IBGZPJMESA-N 1 0 389.293 3.587 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(OC)cc(C(F)(F)F)c1)CC2 ZINC001143511658 840455715 /nfs/dbraw/zinc/45/57/15/840455715.db2.gz FKACWNNDFASYFS-UHFFFAOYSA-N 1 0 398.425 3.934 20 30 GHEDRO COc1cc2c(c(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)c1)O[C@H](C)C2 ZINC000609466634 840458962 /nfs/dbraw/zinc/45/89/62/840458962.db2.gz WWFBMMSRZZJUQH-BEFAXECRSA-N 1 0 395.478 3.788 20 30 GHEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000511685219 840518959 /nfs/dbraw/zinc/51/89/59/840518959.db2.gz XKLLRSHCNDAREZ-QITMRDMXSA-N 1 0 399.560 3.572 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCSCc3ccccc3)CC2)cc1 ZINC000471634751 840529398 /nfs/dbraw/zinc/52/93/98/840529398.db2.gz LOALRWQCQNKIOA-UHFFFAOYSA-N 1 0 393.556 3.916 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cc(C#N)ccc3Cl)CCCCC2)CCO1 ZINC000511700103 840547452 /nfs/dbraw/zinc/54/74/52/840547452.db2.gz KGBXJCLTHXEAJJ-UHFFFAOYSA-N 1 0 389.927 3.755 20 30 GHEDRO COc1ccccc1CC1(c2nc(-c3cc(C#N)ccc3F)no2)CC[NH2+]CC1 ZINC001211507176 840577334 /nfs/dbraw/zinc/57/73/34/840577334.db2.gz JZBAYZCMSQNXIF-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO CCOc1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)ccc1OC ZINC000160730827 840588005 /nfs/dbraw/zinc/58/80/05/840588005.db2.gz CAQJUCQAXKBFQB-UHFFFAOYSA-N 1 0 383.370 3.919 20 30 GHEDRO N#C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1c(Cl)cccc1Cl ZINC000581020975 840596992 /nfs/dbraw/zinc/59/69/92/840596992.db2.gz PWYXJOQJJWROCX-CZUORRHYSA-N 1 0 398.359 3.892 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)NCC[N@H+]3CC=CCC3)cc2F)c1 ZINC000432077748 840637726 /nfs/dbraw/zinc/63/77/26/840637726.db2.gz HITJXPHNWLHHNJ-UHFFFAOYSA-N 1 0 394.450 3.660 20 30 GHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000561306863 840647898 /nfs/dbraw/zinc/64/78/98/840647898.db2.gz TZHFGEGVECEUPS-GJZGRUSLSA-N 1 0 392.450 3.540 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000584716424 840659674 /nfs/dbraw/zinc/65/96/74/840659674.db2.gz XKXAUKNAZRKPSB-QHCPKHFHSA-N 1 0 395.547 3.831 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1OCCCC#N ZINC000064614121 840670760 /nfs/dbraw/zinc/67/07/60/840670760.db2.gz JUWKIVSJZWTHEA-UHFFFAOYSA-N 1 0 394.519 3.527 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)N2CCOCC2)o1 ZINC000581339746 841106140 /nfs/dbraw/zinc/10/61/40/841106140.db2.gz MFXMSKSQGINVNV-SFHVURJKSA-N 1 0 393.409 3.642 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1Br ZINC000660721950 841136094 /nfs/dbraw/zinc/13/60/94/841136094.db2.gz BLTRPRGKTIOKOV-NEPJUHHUSA-N 1 0 380.204 3.823 20 30 GHEDRO CC[N@H+](CCNc1c(C#N)cnc2c(OC)cc(OC)cc21)CCC(F)(F)F ZINC000561341287 841200323 /nfs/dbraw/zinc/20/03/23/841200323.db2.gz GNBWLYRYXAITIG-UHFFFAOYSA-N 1 0 396.413 3.810 20 30 GHEDRO N#CCC[C@@H](NC(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000417909422 841260934 /nfs/dbraw/zinc/26/09/34/841260934.db2.gz DTGLHBLYTSODRD-BAGYTPMASA-N 1 0 394.494 3.863 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417933192 841287554 /nfs/dbraw/zinc/28/75/54/841287554.db2.gz NVOLTBOSJMJSOQ-JZXOWHBKSA-N 1 0 381.442 3.964 20 30 GHEDRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000417984773 841361408 /nfs/dbraw/zinc/36/14/08/841361408.db2.gz DPGFUVFNQAPSBP-PKOBYXMFSA-N 1 0 376.504 3.927 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)c(C)c(C)c2C)C(=S)NCCOC)cc1 ZINC000027307689 841370829 /nfs/dbraw/zinc/37/08/29/841370829.db2.gz ZJXMHGDGUNGSRD-UHFFFAOYSA-O 1 0 399.580 3.945 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(CC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000027326355 841383122 /nfs/dbraw/zinc/38/31/22/841383122.db2.gz NTNLOLUSKIVCHJ-UHFFFAOYSA-O 1 0 384.569 3.931 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000651708779 841406251 /nfs/dbraw/zinc/40/62/51/841406251.db2.gz AREGSEIWSLSHJH-XLIONFOSSA-N 1 0 386.536 3.703 20 30 GHEDRO CN(C)c1ncc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000510426950 841423425 /nfs/dbraw/zinc/42/34/25/841423425.db2.gz GAYUIMFAQNHZMU-UHFFFAOYSA-N 1 0 375.451 3.756 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cnc1N1CCCC[C@@H]1C ZINC000329249946 861201207 /nfs/dbraw/zinc/20/12/07/861201207.db2.gz UBEMFTYTLWZNGH-BJLQDIEVSA-N 1 0 385.556 3.873 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)cc1OCCCC#N ZINC000276259088 841501564 /nfs/dbraw/zinc/50/15/64/841501564.db2.gz XOXRPZIHZBNHMH-FQEVSTJZSA-N 1 0 399.535 3.791 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000418153225 841582153 /nfs/dbraw/zinc/58/21/53/841582153.db2.gz YWXKOPRXVDFJBH-JOCHJYFZSA-N 1 0 389.499 3.630 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1C#N ZINC000581570983 841687356 /nfs/dbraw/zinc/68/73/56/841687356.db2.gz UMTSBILREFBSSD-OAHLLOKOSA-N 1 0 394.544 3.803 20 30 GHEDRO COc1ccc([C@@H](C)CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000175911898 841776928 /nfs/dbraw/zinc/77/69/28/841776928.db2.gz QBZQADAISZPXMP-SFHVURJKSA-N 1 0 379.504 3.651 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328064 841846687 /nfs/dbraw/zinc/84/66/87/841846687.db2.gz AKQXXMUTIKEVHZ-ZIAGYGMSSA-N 1 0 398.320 3.674 20 30 GHEDRO C=CCCC1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000661529846 841852352 /nfs/dbraw/zinc/85/23/52/841852352.db2.gz BILVKNIUCVLQNP-VQTJNVASSA-N 1 0 377.573 3.580 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000418348201 841862772 /nfs/dbraw/zinc/86/27/72/841862772.db2.gz OIOSGXOUPVSLPX-IBGZPJMESA-N 1 0 394.494 3.799 20 30 GHEDRO CC(C)N1CC[C@H](NC(=O)N[C@H]2CC[C@H](CO)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000329285750 861246364 /nfs/dbraw/zinc/24/63/64/861246364.db2.gz OKRSQXVATUPQOP-JKTDJZPLSA-N 1 0 395.494 3.543 20 30 GHEDRO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329294390 861257011 /nfs/dbraw/zinc/25/70/11/861257011.db2.gz OFSCRSDORZXQEZ-QSVDNLTKSA-N 1 0 387.568 3.636 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000549557223 841989191 /nfs/dbraw/zinc/98/91/91/841989191.db2.gz ULQMKAVQFGBRDH-CXAGYDPISA-N 1 0 388.393 3.537 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1Cl ZINC000623636331 861259434 /nfs/dbraw/zinc/25/94/34/861259434.db2.gz LKIDJDLAMHBNPO-UHFFFAOYSA-N 1 0 389.870 3.951 20 30 GHEDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000555563139 861267373 /nfs/dbraw/zinc/26/73/73/861267373.db2.gz WPOIMDDAXNEBEX-KRWDZBQOSA-N 1 0 383.923 3.981 20 30 GHEDRO N#Cc1ccccc1COc1cccc(CNCc2nnc3n2CCCCC3)c1 ZINC000066904909 842143218 /nfs/dbraw/zinc/14/32/18/842143218.db2.gz GVXJYSOWYRLYQW-UHFFFAOYSA-N 1 0 387.487 3.745 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC000581754716 842149955 /nfs/dbraw/zinc/14/99/55/842149955.db2.gz ATKJMWAAUAHHCV-SFHVURJKSA-N 1 0 377.916 3.866 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)cc(OC)c1 ZINC000127298298 842201297 /nfs/dbraw/zinc/20/12/97/842201297.db2.gz SJQKGSWCKKIZRN-UHFFFAOYSA-N 1 0 381.476 3.661 20 30 GHEDRO C[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1 ZINC000585745386 842236330 /nfs/dbraw/zinc/23/63/30/842236330.db2.gz NUCLOFLLZHRIIW-KRWDZBQOSA-N 1 0 392.503 3.592 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)ccc1Cl ZINC000585754812 842263246 /nfs/dbraw/zinc/26/32/46/842263246.db2.gz BOGPYKHUWFDVIA-QGZVFWFLSA-N 1 0 377.916 3.522 20 30 GHEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccsc3)cn2)CC1 ZINC000328825478 842290150 /nfs/dbraw/zinc/29/01/50/842290150.db2.gz PZALFOVYOVBEEZ-LJQANCHMSA-N 1 0 399.564 3.536 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1OC ZINC000759959651 842295238 /nfs/dbraw/zinc/29/52/38/842295238.db2.gz ZTFNAEDWUFDESX-AKMVSGNVSA-N 1 0 392.499 3.835 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329339545 861300048 /nfs/dbraw/zinc/30/00/48/861300048.db2.gz ZCCLLZJKLJKJJP-RBUKOAKNSA-N 1 0 386.540 3.797 20 30 GHEDRO O=C(C[N@@H+]1CCC2(C1)CCCCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001167487892 842500129 /nfs/dbraw/zinc/50/01/29/842500129.db2.gz TTYZMWNAJRUZFE-UHFFFAOYSA-N 1 0 378.438 3.829 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC000181825792 842543655 /nfs/dbraw/zinc/54/36/55/842543655.db2.gz ZSIXHICFSTUWBZ-UHFFFAOYSA-N 1 0 382.471 3.649 20 30 GHEDRO COc1cccc(C(=O)N2CCC([NH2+]C(C)(C)c3ccc(C#N)cc3)CC2)c1 ZINC001167849885 842633565 /nfs/dbraw/zinc/63/35/65/842633565.db2.gz IECRWRHZEZVXOA-UHFFFAOYSA-N 1 0 377.488 3.696 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2cccc(Br)c2)CC1 ZINC000261406643 842653072 /nfs/dbraw/zinc/65/30/72/842653072.db2.gz PTNOVZKOLKEJEB-UHFFFAOYSA-N 1 0 394.357 3.721 20 30 GHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000328857936 842692768 /nfs/dbraw/zinc/69/27/68/842692768.db2.gz YAURUMPAFGWHOO-GOSISDBHSA-N 1 0 399.560 3.749 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000581957084 842815206 /nfs/dbraw/zinc/81/52/06/842815206.db2.gz SHDHXGQYUVMCEN-HNNXBMFYSA-N 1 0 377.423 3.562 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121563498 842965769 /nfs/dbraw/zinc/96/57/69/842965769.db2.gz RHINMQHHKHPLHP-HNNXBMFYSA-N 1 0 385.405 3.710 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603905096 861364580 /nfs/dbraw/zinc/36/45/80/861364580.db2.gz BIIFMWJJNVAYCD-KBAYOESNSA-N 1 0 394.906 3.607 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590599 861372948 /nfs/dbraw/zinc/37/29/48/861372948.db2.gz QEAHCMQMWWXHMS-UZLBHIALSA-N 1 0 394.519 3.758 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)no1 ZINC000329398490 861374755 /nfs/dbraw/zinc/37/47/55/861374755.db2.gz VHGHTJNARCBDDU-BEFAXECRSA-N 1 0 383.496 3.655 20 30 GHEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000261969104 843059238 /nfs/dbraw/zinc/05/92/38/843059238.db2.gz CMHJVXFTJTVPLD-UHFFFAOYSA-N 1 0 394.475 3.513 20 30 GHEDRO C=C(C)C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(CO)o1 ZINC000512202313 843083371 /nfs/dbraw/zinc/08/33/71/843083371.db2.gz JKQYEXDMBIJGKQ-QFIPXVFZSA-N 1 0 382.504 3.734 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000512211722 843099912 /nfs/dbraw/zinc/09/99/12/843099912.db2.gz KJJNQWDIJJVJBP-KRWDZBQOSA-N 1 0 378.259 3.517 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000512226877 843145517 /nfs/dbraw/zinc/14/55/17/843145517.db2.gz JWDCGJZFPKVKMZ-UHFFFAOYSA-N 1 0 375.451 3.514 20 30 GHEDRO C[C@@H](c1ccccc1)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000512241587 843192344 /nfs/dbraw/zinc/19/23/44/843192344.db2.gz HHYFPLGBMNRMNR-KRWDZBQOSA-N 1 0 385.471 3.908 20 30 GHEDRO C[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329418855 861394525 /nfs/dbraw/zinc/39/45/25/861394525.db2.gz GVKGXASYJFMXSQ-LSDHHAIUSA-N 1 0 376.570 3.853 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000599600548 861397784 /nfs/dbraw/zinc/39/77/84/861397784.db2.gz MKZLERGJVUCDKC-ZDUSSCGKSA-N 1 0 387.867 3.908 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610614175 843298052 /nfs/dbraw/zinc/29/80/52/843298052.db2.gz DHUSKXJBUMVVDZ-CHWSQXEVSA-N 1 0 379.304 3.559 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(CC#N)c2)CC1 ZINC000512279469 843312030 /nfs/dbraw/zinc/31/20/30/843312030.db2.gz GCBADLFLAQKSFZ-QGZVFWFLSA-N 1 0 394.494 3.525 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000511974868 843372576 /nfs/dbraw/zinc/37/25/76/843372576.db2.gz WHMQRHALTYMATK-VXGBXAGGSA-N 1 0 378.822 3.850 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000510748615 843397116 /nfs/dbraw/zinc/39/71/16/843397116.db2.gz QJLIVZWDMOJSBF-RBUKOAKNSA-N 1 0 398.551 3.885 20 30 GHEDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000662571976 843414408 /nfs/dbraw/zinc/41/44/08/843414408.db2.gz LMVASLPHIAESOX-SKDRFNHKSA-N 1 0 386.311 3.833 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)nc2)CC1 ZINC000279864468 843444412 /nfs/dbraw/zinc/44/44/12/843444412.db2.gz KTDQTGAOEFODIX-UHFFFAOYSA-N 1 0 391.519 3.665 20 30 GHEDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1C ZINC000599632638 861425858 /nfs/dbraw/zinc/42/58/58/861425858.db2.gz IJNWXBKECWHKQG-LJQANCHMSA-N 1 0 391.515 3.648 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000563003409 843523236 /nfs/dbraw/zinc/52/32/36/843523236.db2.gz RKWUMKRPMMVSLX-WDSOQIARSA-N 1 0 390.405 3.853 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCC(=O)Nc3ccc(Cl)cc3)CCOCC2)cc1 ZINC000599634634 861427249 /nfs/dbraw/zinc/42/72/49/861427249.db2.gz XXXNYLYJGQBLHD-UHFFFAOYSA-N 1 0 383.879 3.836 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000432713478 843572423 /nfs/dbraw/zinc/57/24/23/843572423.db2.gz JFSRDCRPPLHNEI-NRFANRHFSA-N 1 0 396.922 3.845 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000105485704 843639407 /nfs/dbraw/zinc/63/94/07/843639407.db2.gz MTVXDALHJACNNC-VGOFRKELSA-N 1 0 399.922 3.794 20 30 GHEDRO C[NH+](C)C[C@H](NCC(=O)Nc1sccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000599626014 861452699 /nfs/dbraw/zinc/45/26/99/861452699.db2.gz CQUCHBHKVCMSSA-HNNXBMFYSA-N 1 0 397.331 3.758 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000471944950 843775921 /nfs/dbraw/zinc/77/59/21/843775921.db2.gz UJZMFIQNCLFKHE-FPOVZHCZSA-N 1 0 378.476 3.912 20 30 GHEDRO O=C(NCC#Cc1cccc(F)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000510916592 843812000 /nfs/dbraw/zinc/81/20/00/843812000.db2.gz UUKHHIRTJBFEGY-UHFFFAOYSA-N 1 0 379.479 3.663 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433225440 843884398 /nfs/dbraw/zinc/88/43/98/843884398.db2.gz BRELSDOTFSUDJO-HXUWFJFHSA-N 1 0 376.504 3.540 20 30 GHEDRO CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000728914218 843919795 /nfs/dbraw/zinc/91/97/95/843919795.db2.gz DDXQPTBYNBBTEA-RDTXWAMCSA-N 1 0 392.434 3.734 20 30 GHEDRO O=C(Nc1nc(C2CCOCC2)cs1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000329466053 861480133 /nfs/dbraw/zinc/48/01/33/861480133.db2.gz VVKDRRDJLPBPIR-UHFFFAOYSA-N 1 0 392.569 3.781 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433299309 843986722 /nfs/dbraw/zinc/98/67/22/843986722.db2.gz BILSWXIRKKOTOC-IBGZPJMESA-N 1 0 385.458 3.628 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000277141886 844743669 /nfs/dbraw/zinc/74/36/69/844743669.db2.gz HTJSJKZASRMANM-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO N#Cc1cccc(-c2noc([C@H](c3cc4ccccc4o3)N3CCC[NH2+]CC3)n2)c1 ZINC001211835325 844776665 /nfs/dbraw/zinc/77/66/65/844776665.db2.gz DWBOVCPGKTXOLN-NRFANRHFSA-N 1 0 399.454 3.739 20 30 GHEDRO CC(C)(C#N)c1ccc(CN2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000614161042 844793300 /nfs/dbraw/zinc/79/33/00/844793300.db2.gz SRAHSBZUSSQGLN-UHFFFAOYSA-N 1 0 379.479 3.514 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(C#N)cc1F ZINC000512629509 844834168 /nfs/dbraw/zinc/83/41/68/844834168.db2.gz JBBPCIHATBWCKZ-LSDHHAIUSA-N 1 0 381.451 3.767 20 30 GHEDRO COC(=O)[C@H]1CN(Cc2cc(Br)ccc2C#N)C[C@H]1c1ccccc1 ZINC001141908043 861504421 /nfs/dbraw/zinc/50/44/21/861504421.db2.gz YHZUTZUCKSEBKH-OALUTQOASA-N 1 0 399.288 3.709 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC000548503607 844920727 /nfs/dbraw/zinc/92/07/27/844920727.db2.gz VRUFGOQXTXMFDF-DEOSSOPVSA-N 1 0 384.483 3.980 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000433019462 844969828 /nfs/dbraw/zinc/96/98/28/844969828.db2.gz NYKAPGULDPPSNB-NRFANRHFSA-N 1 0 390.487 3.777 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000151146579 844988781 /nfs/dbraw/zinc/98/87/81/844988781.db2.gz FYOYKIXJRDCDBL-QUCCMNQESA-N 1 0 383.442 3.530 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000433033037 845027485 /nfs/dbraw/zinc/02/74/85/845027485.db2.gz OIGCWBNFJZNFAK-LJQANCHMSA-N 1 0 378.432 3.509 20 30 GHEDRO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(OC)c1 ZINC000599685515 861528625 /nfs/dbraw/zinc/52/86/25/861528625.db2.gz FDTHYJDODZVIIN-LAEWNIMASA-N 1 0 392.499 3.592 20 30 GHEDRO CC(C)C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCCc2cccnc21 ZINC000614217126 845221436 /nfs/dbraw/zinc/22/14/36/845221436.db2.gz HPFXIOSSRUTMDC-GMAHTHKFSA-N 1 0 393.531 3.923 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282438372 861550006 /nfs/dbraw/zinc/55/00/06/861550006.db2.gz FUGHLHCFXXAIEX-INIZCTEOSA-N 1 0 396.466 3.782 20 30 GHEDRO C[C@H](C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[NH+]1CCCCCC1 ZINC000329508206 861557672 /nfs/dbraw/zinc/55/76/72/861557672.db2.gz LYWXHPQCTXESHA-QAPCUYQASA-N 1 0 385.487 3.620 20 30 GHEDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000614258392 845449888 /nfs/dbraw/zinc/44/98/88/845449888.db2.gz BJIZPRKUKYPVJP-UHFFFAOYSA-N 1 0 398.322 3.968 20 30 GHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1C1CCCCC1 ZINC000511007862 845501023 /nfs/dbraw/zinc/50/10/23/845501023.db2.gz CNIGVWAJHDXMJV-UHFFFAOYSA-N 1 0 393.535 3.772 20 30 GHEDRO N#Cc1cccc(-c2noc([C@H](c3cc4ccccc4[nH]3)N3CCC[C@H]([NH3+])C3)n2)c1 ZINC001211806343 845566813 /nfs/dbraw/zinc/56/68/13/845566813.db2.gz TWZZFBPXESILRB-RXVVDRJESA-N 1 0 398.470 3.602 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000538714691 845595146 /nfs/dbraw/zinc/59/51/46/845595146.db2.gz MCQZNQCRQUIKHO-KRWDZBQOSA-N 1 0 378.398 3.502 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1F ZINC000419268653 845606757 /nfs/dbraw/zinc/60/67/57/845606757.db2.gz AJWVPCCOWHMTLZ-SFHVURJKSA-N 1 0 389.377 3.584 20 30 GHEDRO C=CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000124603432 845680928 /nfs/dbraw/zinc/68/09/28/845680928.db2.gz RATYFCHJENFVGZ-PKTZIBPZSA-N 1 0 399.579 3.661 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)CC1 ZINC000625322877 861599369 /nfs/dbraw/zinc/59/93/69/861599369.db2.gz LSEKOOAJUIRDNS-UHFFFAOYSA-N 1 0 385.895 3.878 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCc2oc3ccc(F)cc3c2C)cc1OC ZINC000104180941 845809844 /nfs/dbraw/zinc/80/98/44/845809844.db2.gz PMDHIEYVLPPIKJ-UHFFFAOYSA-N 1 0 385.439 3.545 20 30 GHEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000511049309 845974037 /nfs/dbraw/zinc/97/40/37/845974037.db2.gz QOPCLIQDZHYMKR-QFIPXVFZSA-N 1 0 379.479 3.947 20 30 GHEDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001167518103 846029667 /nfs/dbraw/zinc/02/96/67/846029667.db2.gz UDIHSQXUOXVZKN-FHLLLWTNSA-N 1 0 385.552 3.670 20 30 GHEDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000016402224 846237357 /nfs/dbraw/zinc/23/73/57/846237357.db2.gz BZWHPPZVAMIVKB-GOSISDBHSA-N 1 0 397.519 3.560 20 30 GHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000502626802 846266099 /nfs/dbraw/zinc/26/60/99/846266099.db2.gz UZGDKDOVHGIKFZ-UHFFFAOYSA-N 1 0 394.544 3.936 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000163124427 846297587 /nfs/dbraw/zinc/29/75/87/846297587.db2.gz CZYZVOAIKWPFKD-FQEVSTJZSA-N 1 0 382.552 3.581 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000280205140 846326276 /nfs/dbraw/zinc/32/62/76/846326276.db2.gz ZQNKLLRIKUPBFR-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000280322119 846362083 /nfs/dbraw/zinc/36/20/83/846362083.db2.gz QMIFZDPJOHRLGP-GOSISDBHSA-N 1 0 393.409 3.758 20 30 GHEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000582150798 846510539 /nfs/dbraw/zinc/51/05/39/846510539.db2.gz SMVBTFWTDQBINZ-JOCHJYFZSA-N 1 0 387.531 3.881 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000014515234 846517496 /nfs/dbraw/zinc/51/74/96/846517496.db2.gz AHLMNGWRCOTACT-YLJYHZDGSA-N 1 0 397.544 3.976 20 30 GHEDRO CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000237017627 846567912 /nfs/dbraw/zinc/56/79/12/846567912.db2.gz PADUINHYORUSQT-SFHVURJKSA-N 1 0 383.467 3.863 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(C)cc1 ZINC000179665801 861692677 /nfs/dbraw/zinc/69/26/77/861692677.db2.gz WETSFLLFONKYEI-UXHICEINSA-N 1 0 396.560 3.506 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000419490847 846587023 /nfs/dbraw/zinc/58/70/23/846587023.db2.gz JBGQGIKUOXPZPK-QFIPXVFZSA-N 1 0 376.504 3.539 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)c1 ZINC000552012020 846647547 /nfs/dbraw/zinc/64/75/47/846647547.db2.gz HTKQQLNFYQUEMD-UHFFFAOYSA-N 1 0 377.463 3.641 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1=CC[N@H+](C)CC1 ZINC000611583142 846686188 /nfs/dbraw/zinc/68/61/88/846686188.db2.gz DNQBKDBRAYFHHZ-OAHLLOKOSA-N 1 0 377.448 3.517 20 30 GHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000582288587 846793693 /nfs/dbraw/zinc/79/36/93/846793693.db2.gz RXMPBKSCAQZRMS-UHFFFAOYSA-N 1 0 388.519 3.520 20 30 GHEDRO COc1cc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c(F)cc1C#N ZINC000599818268 861721925 /nfs/dbraw/zinc/72/19/25/861721925.db2.gz WKSPCAVVDKNYNV-QGZVFWFLSA-N 1 0 386.427 3.566 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NCCC[NH2+]C3CCCCC3)o2)cc1 ZINC000419909490 846894263 /nfs/dbraw/zinc/89/42/63/846894263.db2.gz MDJPFTJMSHLGCW-UHFFFAOYSA-N 1 0 381.476 3.772 20 30 GHEDRO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000501521982 846982603 /nfs/dbraw/zinc/98/26/03/846982603.db2.gz ZAUSFSUUNDQMAG-HOTGVXAUSA-N 1 0 381.442 3.619 20 30 GHEDRO C=C(C)[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(F)c1 ZINC000481569404 861748583 /nfs/dbraw/zinc/74/85/83/861748583.db2.gz KSVYPGBZNHSIGW-OALUTQOASA-N 1 0 387.386 3.885 20 30 GHEDRO C[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272389520 847066516 /nfs/dbraw/zinc/06/65/16/847066516.db2.gz WMMIUTDYDRMXBT-YZPRDINNSA-N 1 0 389.499 3.629 20 30 GHEDRO Cc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)ccc1C#N ZINC000478526642 847111418 /nfs/dbraw/zinc/11/14/18/847111418.db2.gz GXGQJCPFJIBWFQ-UHFFFAOYSA-N 1 0 388.515 3.923 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C3(c4ccc(C#N)cc4)CC3)C2)s1 ZINC000582425192 847215118 /nfs/dbraw/zinc/21/51/18/847215118.db2.gz OPGDJRDYXCZMFG-LJQANCHMSA-N 1 0 393.556 3.940 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000273139691 847258859 /nfs/dbraw/zinc/25/88/59/847258859.db2.gz DQMAURLEVCFFNB-HMXGKDEJSA-N 1 0 388.515 3.566 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COCc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000187757452 847265521 /nfs/dbraw/zinc/26/55/21/847265521.db2.gz DVLBYHIEKHNFMY-UTKZUKDTSA-N 1 0 377.431 3.758 20 30 GHEDRO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000329058901 847296771 /nfs/dbraw/zinc/29/67/71/847296771.db2.gz UFGRIZDUXGDUNH-MOPGFXCFSA-N 1 0 377.573 3.882 20 30 GHEDRO C[C@@H](Cc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000513780328 847338448 /nfs/dbraw/zinc/33/84/48/847338448.db2.gz VDBHTFZWRRVDLG-KRWDZBQOSA-N 1 0 383.923 3.981 20 30 GHEDRO C[NH+](C)CCC1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000479172212 847540596 /nfs/dbraw/zinc/54/05/96/847540596.db2.gz YVJQMTTWCDOAHZ-UHFFFAOYSA-N 1 0 398.551 3.622 20 30 GHEDRO C#CCOc1ccc(C[NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)cc1 ZINC000237185453 847544736 /nfs/dbraw/zinc/54/47/36/847544736.db2.gz WXFOZNKEANAUCJ-UHFFFAOYSA-N 1 0 379.500 3.854 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)CC2)cc1 ZINC000502157907 847560785 /nfs/dbraw/zinc/56/07/85/847560785.db2.gz FRUWXCPPPHQUHD-QFIPXVFZSA-N 1 0 378.520 3.621 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(CC)nc3onc(CC(C)(C)C)c32)CC1 ZINC000503296302 847582287 /nfs/dbraw/zinc/58/22/87/847582287.db2.gz KPJSOJMKAQMZAX-UHFFFAOYSA-N 1 0 384.524 3.754 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)C(C)C ZINC000503385370 847643630 /nfs/dbraw/zinc/64/36/30/847643630.db2.gz KAGTZNNHZLPIQJ-IBGZPJMESA-N 1 0 382.512 3.600 20 30 GHEDRO C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(C)(C)C[NH+](C)C ZINC000479765747 847859164 /nfs/dbraw/zinc/85/91/64/847859164.db2.gz WQBLORRJVDEHQO-KRWDZBQOSA-N 1 0 379.504 3.843 20 30 GHEDRO C=C(C)[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481603496 861850882 /nfs/dbraw/zinc/85/08/82/861850882.db2.gz YWSCYJCLODDDDY-RBBKRZOGSA-N 1 0 387.474 3.591 20 30 GHEDRO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000135191247 848034212 /nfs/dbraw/zinc/03/42/12/848034212.db2.gz LIIMNZCBTRQDOP-UHFFFAOYSA-N 1 0 393.535 3.855 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000329640014 861862271 /nfs/dbraw/zinc/86/22/71/861862271.db2.gz ZNCHZRDUPPEHKO-FZKQIMNGSA-N 1 0 386.471 3.543 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000582713529 848119705 /nfs/dbraw/zinc/11/97/05/848119705.db2.gz TYXIPXZNMGFCEE-YQVWRLOYSA-N 1 0 376.460 3.860 20 30 GHEDRO COc1cc2cccnc2c(N(c2nc(OC)ccc2C#N)[C@H](C)CCC[NH3+])c1 ZINC001167613167 848325746 /nfs/dbraw/zinc/32/57/46/848325746.db2.gz IGDGOSKVAIEHLE-OAHLLOKOSA-N 1 0 391.475 3.784 20 30 GHEDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000329648589 861897402 /nfs/dbraw/zinc/89/74/02/861897402.db2.gz JZSQWECOLGKBFW-AEFFLSMTSA-N 1 0 382.508 3.583 20 30 GHEDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000329648593 861897922 /nfs/dbraw/zinc/89/79/22/861897922.db2.gz JZSQWECOLGKBFW-SJLPKXTDSA-N 1 0 382.508 3.583 20 30 GHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000731851816 861907591 /nfs/dbraw/zinc/90/75/91/861907591.db2.gz GCNZWYYQQNDALQ-GOSISDBHSA-N 1 0 384.867 3.703 20 30 GHEDRO N#CCCn1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000092785555 848491471 /nfs/dbraw/zinc/49/14/71/848491471.db2.gz XGOWGLBNGKFZCE-QFIPXVFZSA-N 1 0 377.536 3.914 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000180034755 861916130 /nfs/dbraw/zinc/91/61/30/861916130.db2.gz WTPMJKOLYYCKBT-NRFANRHFSA-N 1 0 394.515 3.886 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000582908833 848680947 /nfs/dbraw/zinc/68/09/47/848680947.db2.gz JHYVBFGRXQWKHD-HRAATJIYSA-N 1 0 379.479 3.612 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2ccc(C#C[Si](C)(C)C)nc2)CCC([NH3+])CC1 ZINC001167644289 848812186 /nfs/dbraw/zinc/81/21/86/848812186.db2.gz ZJAKVZZMSMVAIB-UHFFFAOYSA-N 1 0 387.600 3.704 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731903730 861950128 /nfs/dbraw/zinc/95/01/28/861950128.db2.gz SIAQWKDDTAPAFY-MRXNPFEDSA-N 1 0 386.839 3.902 20 30 GHEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(-c2ccc(F)cc2)s1 ZINC000731931207 861974767 /nfs/dbraw/zinc/97/47/67/861974767.db2.gz ZOZLPCITPHJGKO-UHFFFAOYSA-N 1 0 378.542 3.694 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000329123797 849142777 /nfs/dbraw/zinc/14/27/77/849142777.db2.gz LPHKCUPQXDRJTJ-NQIIRXRSSA-N 1 0 398.551 3.706 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000329673563 862005068 /nfs/dbraw/zinc/00/50/68/862005068.db2.gz VAFVTIFGISJHKQ-VXNCWWDNSA-N 1 0 379.570 3.840 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccccc2-c2ccccc2C#N)C[C@H](C)O1 ZINC000176691064 849671561 /nfs/dbraw/zinc/67/15/61/849671561.db2.gz HLAKXSOKNBRGON-KDURUIRLSA-N 1 0 391.515 3.844 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2C#N)C[C@@H](C)O1 ZINC000052314554 849741912 /nfs/dbraw/zinc/74/19/12/849741912.db2.gz PWFVLIXROXCXLX-HZPDHXFCSA-N 1 0 380.448 3.688 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1SC ZINC000503928062 849777359 /nfs/dbraw/zinc/77/73/59/849777359.db2.gz NMCMHNMYXATSRD-GOSISDBHSA-N 1 0 381.501 3.574 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)C2)C1 ZINC000505527151 849793203 /nfs/dbraw/zinc/79/32/03/849793203.db2.gz HSWXSBSXXNJHHN-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276833 862059806 /nfs/dbraw/zinc/05/98/06/862059806.db2.gz VGQBMFHRPJRKAQ-STQMWFEESA-N 1 0 393.331 3.950 20 30 GHEDRO CCOc1cc2c(cc1OCC)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000503977399 849813411 /nfs/dbraw/zinc/81/34/11/849813411.db2.gz ADCRUWBBVSHHFR-UHFFFAOYSA-N 1 0 393.487 3.743 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000434877018 849845870 /nfs/dbraw/zinc/84/58/70/849845870.db2.gz MHOIPTYQACDGSQ-NHYWBVRUSA-N 1 0 395.406 3.974 20 30 GHEDRO [NH2+]=C(NCCc1ccc(Br)s1)Nc1ccc2c(c1)OCCCO2 ZINC000262304371 849905322 /nfs/dbraw/zinc/90/53/22/849905322.db2.gz OGPJRBOUJLLHIF-UHFFFAOYSA-N 1 0 396.310 3.641 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1OCCCC#N ZINC000504129823 849926403 /nfs/dbraw/zinc/92/64/03/849926403.db2.gz BNVATMUQVOQTQQ-OAHLLOKOSA-N 1 0 395.459 3.559 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000514579766 850020588 /nfs/dbraw/zinc/02/05/88/850020588.db2.gz JNHHNPAMXJWSIY-BHDDXSALSA-N 1 0 382.552 3.990 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505608360 850078964 /nfs/dbraw/zinc/07/89/64/850078964.db2.gz NIIPDUHIQPFEEN-HSQYWUDLSA-N 1 0 379.504 3.769 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)c1 ZINC000908408772 850083317 /nfs/dbraw/zinc/08/33/17/850083317.db2.gz SATUXLUEFCJTEM-UHFFFAOYSA-N 1 0 389.459 3.614 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000506610080 850087175 /nfs/dbraw/zinc/08/71/75/850087175.db2.gz GFQVMLVQEIXLNU-OAQYLSRUSA-N 1 0 386.442 3.810 20 30 GHEDRO CCC1(CC)[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1OC ZINC000435136154 850120013 /nfs/dbraw/zinc/12/00/13/850120013.db2.gz YXXLKCKNNGHALG-UXHICEINSA-N 1 0 381.524 3.884 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000424072761 850187609 /nfs/dbraw/zinc/18/76/09/850187609.db2.gz ZCOXGSMXHUJSGW-AWEZNQCLSA-N 1 0 382.411 3.712 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1OCC ZINC000668706316 850221491 /nfs/dbraw/zinc/22/14/91/850221491.db2.gz RHLXPKPXEYLYNN-CVEARBPZSA-N 1 0 396.325 3.881 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000518843888 850236022 /nfs/dbraw/zinc/23/60/22/850236022.db2.gz CZHALVKKEJQWGA-HOTGVXAUSA-N 1 0 380.467 3.975 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424124208 850238094 /nfs/dbraw/zinc/23/80/94/850238094.db2.gz LQYRVIZEOIQHPC-RTBURBONSA-N 1 0 383.565 3.743 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000424133208 850259064 /nfs/dbraw/zinc/25/90/64/850259064.db2.gz YXTZOOMACZUAGQ-AZUAARDMSA-N 1 0 397.592 3.991 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OCCOCC ZINC000424179505 850263985 /nfs/dbraw/zinc/26/39/85/850263985.db2.gz YMWLPCSMWILREV-YOEHRIQHSA-N 1 0 384.314 3.545 20 30 GHEDRO C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC000522588570 862110658 /nfs/dbraw/zinc/11/06/58/862110658.db2.gz SLAICMFRSLYAPJ-KRWDZBQOSA-N 1 0 381.476 3.582 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000424239357 850306915 /nfs/dbraw/zinc/30/69/15/850306915.db2.gz HFRWEUBWPHMEPD-FQEVSTJZSA-N 1 0 397.592 3.787 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)cc1OC ZINC000506667744 850338062 /nfs/dbraw/zinc/33/80/62/850338062.db2.gz DQELGDDPDVAYKI-UHFFFAOYSA-N 1 0 395.499 3.967 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C#N)n1 ZINC000514857444 850393702 /nfs/dbraw/zinc/39/37/02/850393702.db2.gz PSLZQMSGRDOTKU-UHFFFAOYSA-N 1 0 391.397 3.568 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000505675357 850407578 /nfs/dbraw/zinc/40/75/78/850407578.db2.gz VHSOXTRQROYNIB-HKUYNNGSSA-N 1 0 383.536 3.513 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000569722883 850510056 /nfs/dbraw/zinc/51/00/56/850510056.db2.gz HDPMGBQDYKQYDL-FCHUYYIVSA-N 1 0 382.529 3.936 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000514941388 850512987 /nfs/dbraw/zinc/51/29/87/850512987.db2.gz MICBOBYZPSGGFJ-QHCPKHFHSA-N 1 0 398.522 3.502 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000180429328 862136860 /nfs/dbraw/zinc/13/68/60/862136860.db2.gz HXTLDYPIIVTTQG-QGZVFWFLSA-N 1 0 380.448 3.809 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000515093236 850669618 /nfs/dbraw/zinc/66/96/18/850669618.db2.gz HULNNLGHIXNUNH-UHFFFAOYSA-N 1 0 385.895 3.547 20 30 GHEDRO C[C@](C#N)(NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000555903935 862163260 /nfs/dbraw/zinc/16/32/60/862163260.db2.gz GFQXYFILMJJFPP-HSZRJFAPSA-N 1 0 382.552 3.568 20 30 GHEDRO C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C1=CC[N@H+](C)CC1 ZINC000329707289 862164396 /nfs/dbraw/zinc/16/43/96/862164396.db2.gz LLPAAFKSKNZASO-HNNXBMFYSA-N 1 0 395.503 3.570 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000435729032 850791901 /nfs/dbraw/zinc/79/19/01/850791901.db2.gz AVJBBXDWFMJWIS-OXJNMPFZSA-N 1 0 393.369 3.984 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1 ZINC000481741322 862168948 /nfs/dbraw/zinc/16/89/48/862168948.db2.gz NZEKZZJMCSJIDS-NHCUHLMSSA-N 1 0 387.524 3.515 20 30 GHEDRO C[C@](CO)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000174792171 850798043 /nfs/dbraw/zinc/79/80/43/850798043.db2.gz UZVNFJAZQDFGFN-OAQYLSRUSA-N 1 0 389.565 3.748 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000505320712 850808421 /nfs/dbraw/zinc/80/84/21/850808421.db2.gz MOBPUYVZXWKBQJ-UHFFFAOYSA-N 1 0 391.490 3.552 20 30 GHEDRO COc1cc(NC(=O)CC[NH+]2CCC(CCC#N)CC2)c(OC)cc1Cl ZINC000519395050 851000497 /nfs/dbraw/zinc/00/04/97/851000497.db2.gz YOFSHVXQDNZCTJ-UHFFFAOYSA-N 1 0 379.888 3.702 20 30 GHEDRO CC(C)C[C@@H](CNC(=O)COc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000732293898 862195457 /nfs/dbraw/zinc/19/54/57/862195457.db2.gz SCTVXTIZVYHGBZ-RXVVDRJESA-N 1 0 379.504 3.819 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000261930235 851025867 /nfs/dbraw/zinc/02/58/67/851025867.db2.gz CSQPWKRXPNAIJO-IBGZPJMESA-N 1 0 395.341 3.598 20 30 GHEDRO N#C[C@H]1CC[C@@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000425448136 851119912 /nfs/dbraw/zinc/11/99/12/851119912.db2.gz UEOUXNWBUGQWKU-FCHUYYIVSA-N 1 0 382.552 3.713 20 30 GHEDRO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000425088334 851200253 /nfs/dbraw/zinc/20/02/53/851200253.db2.gz POASTIOVBMLFDZ-AWEZNQCLSA-N 1 0 390.409 3.716 20 30 GHEDRO C[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[N@@H+](C2CCC2)C1 ZINC000488150769 851205938 /nfs/dbraw/zinc/20/59/38/851205938.db2.gz NZZCIQLJSLWXPD-MRXNPFEDSA-N 1 0 393.453 3.573 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000604475244 862218408 /nfs/dbraw/zinc/21/84/08/862218408.db2.gz QARXRDUOCMJWRV-QGZVFWFLSA-N 1 0 379.464 3.597 20 30 GHEDRO C[NH+]=C(NCc1ccc(-c2ccc(OC)cc2)s1)N1CC[C@@]2(CCOC2)C1 ZINC000262025523 851277067 /nfs/dbraw/zinc/27/70/67/851277067.db2.gz ZQCNUHWGBJNJTR-OAQYLSRUSA-N 1 0 385.533 3.612 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481761504 862225370 /nfs/dbraw/zinc/22/53/70/862225370.db2.gz PPZHXJJDYICOBI-ROUUACIJSA-N 1 0 396.304 3.683 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000578717066 851354884 /nfs/dbraw/zinc/35/48/84/851354884.db2.gz OOWFBSKACMMAES-UHFFFAOYSA-N 1 0 397.567 3.764 20 30 GHEDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000515717006 851385909 /nfs/dbraw/zinc/38/59/09/851385909.db2.gz YKNIGXKJSRXYHH-ZJSXRUAMSA-N 1 0 394.515 3.926 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000436319208 851456738 /nfs/dbraw/zinc/45/67/38/851456738.db2.gz ZRCQERSZOPHPLS-GLJUWKHASA-N 1 0 381.314 3.737 20 30 GHEDRO COC(=O)c1ccc(C2CC[NH+](Cc3ccc(C#N)c(SC)n3)CC2)cc1 ZINC001141941801 862248640 /nfs/dbraw/zinc/24/86/40/862248640.db2.gz YJZROCYNQJQZQE-UHFFFAOYSA-N 1 0 381.501 3.841 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000110992399 851523288 /nfs/dbraw/zinc/52/32/88/851523288.db2.gz NMRAJHUDRIRAIO-HXUWFJFHSA-N 1 0 393.535 3.685 20 30 GHEDRO C=CCN(C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H](C)COC ZINC000664551864 851567920 /nfs/dbraw/zinc/56/79/20/851567920.db2.gz VLRGDCFEXFBUDF-ALKREAHSSA-N 1 0 397.922 3.704 20 30 GHEDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000430101179 851575478 /nfs/dbraw/zinc/57/54/78/851575478.db2.gz OJPRYKQMAXNRHX-FQEVSTJZSA-N 1 0 388.389 3.894 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]C[C@H]3CC4c5ccccc5C3c3ccccc34)cnc12 ZINC000550111932 851613812 /nfs/dbraw/zinc/61/38/12/851613812.db2.gz JPGHMWIWVVNUEP-ZPSAWSNLSA-N 1 0 391.478 3.988 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)CNc3ccc(C#N)cc3)c2)CC1 ZINC000604564171 862279534 /nfs/dbraw/zinc/27/95/34/862279534.db2.gz ULCURUIDSRDVDJ-UHFFFAOYSA-N 1 0 376.504 3.518 20 30 GHEDRO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000329747919 862288858 /nfs/dbraw/zinc/28/88/58/862288858.db2.gz SRDCHVFZTBHFLF-GOSISDBHSA-N 1 0 387.524 3.729 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329753539 862293122 /nfs/dbraw/zinc/29/31/22/862293122.db2.gz KDTVFILFIWPAHS-AAPKDCIVSA-N 1 0 391.600 3.815 20 30 GHEDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000030534846 862293445 /nfs/dbraw/zinc/29/34/45/862293445.db2.gz ACYMLGCRSRXZCI-CRAIPNDOSA-N 1 0 376.403 3.640 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000473788088 852012095 /nfs/dbraw/zinc/01/20/95/852012095.db2.gz OILVVCBJVXXMGR-JIPZTSHUSA-N 1 0 380.467 3.975 20 30 GHEDRO C=CCc1ccc(OCC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001127053033 852013616 /nfs/dbraw/zinc/01/36/16/852013616.db2.gz CUHYGBORVHLGCR-OAQYLSRUSA-N 1 0 394.515 3.535 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000506176363 852028656 /nfs/dbraw/zinc/02/86/56/852028656.db2.gz XPIPEWAXAURWTD-WMZHIEFXSA-N 1 0 399.535 3.510 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1 ZINC000151189089 852144413 /nfs/dbraw/zinc/14/44/13/852144413.db2.gz PLDRDVAJKVIMDN-OAHLLOKOSA-N 1 0 380.801 3.994 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc(F)cc1C#N ZINC000473826291 852191185 /nfs/dbraw/zinc/19/11/85/852191185.db2.gz DRBSTVOVXHJHNO-HOTGVXAUSA-N 1 0 380.467 3.975 20 30 GHEDRO CC(C)N1CC[C@H](NC(=O)N2CCC[C@@H]2C(C)(C)O)[C@H]1c1ccc(F)c(F)c1 ZINC000329813586 862338175 /nfs/dbraw/zinc/33/81/75/862338175.db2.gz DLBWXOQHXXYRCF-IPMKNSEASA-N 1 0 395.494 3.638 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000899976038 862343330 /nfs/dbraw/zinc/34/33/30/862343330.db2.gz QLAMPUUBSVUVIQ-UHFFFAOYSA-N 1 0 382.957 3.807 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000899976418 862345088 /nfs/dbraw/zinc/34/50/88/862345088.db2.gz WJSPVJZIRNRHRA-UHFFFAOYSA-N 1 0 383.989 3.722 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000517739614 852327036 /nfs/dbraw/zinc/32/70/36/852327036.db2.gz LUXIICXMMLJHHM-ZACQAIPSSA-N 1 0 395.469 3.723 20 30 GHEDRO Cc1cc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ccccc2[nH+]1 ZINC000506937688 852365788 /nfs/dbraw/zinc/36/57/88/852365788.db2.gz AOGCDEVNCYWKNL-UHFFFAOYSA-N 1 0 382.471 3.649 20 30 GHEDRO C=C(C)C[N@@H+](CC)Cc1cc(I)c(OC)c(OC)c1 ZINC000505890522 852411862 /nfs/dbraw/zinc/41/18/62/852411862.db2.gz BZCMGCRCYVXSIY-UHFFFAOYSA-N 1 0 375.250 3.706 20 30 GHEDRO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000438449190 852412944 /nfs/dbraw/zinc/41/29/44/852412944.db2.gz BGXXEESSDWBAKC-XXBNENTESA-N 1 0 390.531 3.872 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000029009444 852420527 /nfs/dbraw/zinc/42/05/27/852420527.db2.gz ZUBSMMAITINJKA-GOSISDBHSA-N 1 0 377.488 3.628 20 30 GHEDRO CCOc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)ccc1OC ZINC000438458083 852434945 /nfs/dbraw/zinc/43/49/45/852434945.db2.gz HJYGNRSUXMHLRR-UHFFFAOYSA-N 1 0 381.476 3.840 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000163312964 862367397 /nfs/dbraw/zinc/36/73/97/862367397.db2.gz VUYVHVQXLPWEMU-LJQANCHMSA-N 1 0 395.503 3.828 20 30 GHEDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000425661874 852555662 /nfs/dbraw/zinc/55/56/62/852555662.db2.gz ZDAFAPOWKANYOZ-INIZCTEOSA-N 1 0 390.553 3.655 20 30 GHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000507110028 852567695 /nfs/dbraw/zinc/56/76/95/852567695.db2.gz HLFKELGGWBULCV-GOSISDBHSA-N 1 0 398.413 3.972 20 30 GHEDRO COc1ccccc1OC[C@@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000516437355 852573063 /nfs/dbraw/zinc/57/30/63/852573063.db2.gz BTHWTUIJPYZDJX-SFHVURJKSA-N 1 0 379.504 3.840 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489840200 852602354 /nfs/dbraw/zinc/60/23/54/852602354.db2.gz OMRJUQBQQMJVPP-HNNXBMFYSA-N 1 0 378.398 3.699 20 30 GHEDRO CSc1ccc(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1C#N ZINC000894325589 852623125 /nfs/dbraw/zinc/62/31/25/852623125.db2.gz VVTLFNAGXFFMEN-UHFFFAOYSA-N 1 0 380.517 3.516 20 30 GHEDRO C=C[C@H]1CCCCN1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000426078823 852627498 /nfs/dbraw/zinc/62/74/98/852627498.db2.gz KLLNLTBYDZHIMM-NRFANRHFSA-N 1 0 385.552 3.808 20 30 GHEDRO CN1CC[C@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000516515411 852669324 /nfs/dbraw/zinc/66/93/24/852669324.db2.gz QDMPLIDLBQLXLN-UNMCSNQZSA-N 1 0 396.922 3.622 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000425697065 852677287 /nfs/dbraw/zinc/67/72/87/852677287.db2.gz DFYCZRDJAFDERD-KGVIQGDOSA-N 1 0 376.504 3.924 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1OCCc2ccccc21 ZINC000507225989 852689532 /nfs/dbraw/zinc/68/95/32/852689532.db2.gz AVECWRWVAWPPNQ-VBKZILBWSA-N 1 0 383.879 3.784 20 30 GHEDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)nnn1CC1CCCC1 ZINC000329867937 862384764 /nfs/dbraw/zinc/38/47/64/862384764.db2.gz WTTRPIPGFCHKOY-IYBDPMFKSA-N 1 0 375.561 3.838 20 30 GHEDRO C=CCCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000507255802 852729440 /nfs/dbraw/zinc/72/94/40/852729440.db2.gz GMXFFVXMCRCAQE-OAQYLSRUSA-N 1 0 382.548 3.778 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000669032698 852764913 /nfs/dbraw/zinc/76/49/13/852764913.db2.gz SKMQLMHGINADRV-NMLBUPMWSA-N 1 0 399.583 3.652 20 30 GHEDRO CCC[N@H+](C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000518051322 852770044 /nfs/dbraw/zinc/77/00/44/852770044.db2.gz KDKXKYJNNPWLGF-UHFFFAOYSA-N 1 0 396.438 3.905 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000507329289 852797540 /nfs/dbraw/zinc/79/75/40/852797540.db2.gz KKZWRLSZCPVLKO-PGRDOPGGSA-N 1 0 394.519 3.628 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000438785205 852850399 /nfs/dbraw/zinc/85/03/99/852850399.db2.gz NEZGINAIISCSCS-JOCHJYFZSA-N 1 0 379.460 3.645 20 30 GHEDRO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000438814344 852876645 /nfs/dbraw/zinc/87/66/45/852876645.db2.gz ORZGIURQGGNVEG-QGZVFWFLSA-N 1 0 396.922 3.919 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000507428227 852906003 /nfs/dbraw/zinc/90/60/03/852906003.db2.gz KBEUMCMAMIFJBZ-HNAYVOBHSA-N 1 0 378.432 3.621 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490363742 852962613 /nfs/dbraw/zinc/96/26/13/852962613.db2.gz HKMQEUMSZLJODD-XLIONFOSSA-N 1 0 392.503 3.989 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000507492522 852974367 /nfs/dbraw/zinc/97/43/67/852974367.db2.gz PFXOXQVJWUNMAD-KKSFZXQISA-N 1 0 379.479 3.927 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000516855044 853071108 /nfs/dbraw/zinc/07/11/08/853071108.db2.gz NYSQTEZWSILQCG-YQVWRLOYSA-N 1 0 376.460 3.860 20 30 GHEDRO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000490547944 853083645 /nfs/dbraw/zinc/08/36/45/853083645.db2.gz RWGXMKRTCWQMSZ-KSEOMHKRSA-N 1 0 378.520 3.984 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH+](CC)CC)C2)cc1OC ZINC000506440967 853095397 /nfs/dbraw/zinc/09/53/97/853095397.db2.gz YGTJQADQCAHJHJ-MRXNPFEDSA-N 1 0 397.357 3.939 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1CCC2(CC1)NC(=O)NC2=O ZINC000329929545 862433012 /nfs/dbraw/zinc/43/30/12/862433012.db2.gz NORIOCFONAWRPR-UHFFFAOYSA-N 1 0 376.501 3.553 20 30 GHEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329931103 862434456 /nfs/dbraw/zinc/43/44/56/862434456.db2.gz BCJROAIUQUMOBU-HNNXBMFYSA-N 1 0 379.574 3.543 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)NCCSCc2ccccc2C#N)([NH+](C)C)C1 ZINC000518366637 853254191 /nfs/dbraw/zinc/25/41/91/853254191.db2.gz ZGOZGWGQYBCHRN-LAUBAEHRSA-N 1 0 388.581 3.601 20 30 GHEDRO C[C@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1 ZINC000437589614 853305014 /nfs/dbraw/zinc/30/50/14/853305014.db2.gz FCICADLNQUYDNI-OAHLLOKOSA-N 1 0 380.423 3.871 20 30 GHEDRO CC1(C)CCC[N@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 ZINC000329968878 862465929 /nfs/dbraw/zinc/46/59/29/862465929.db2.gz WYGZWICUHPMSRC-UHFFFAOYSA-N 1 0 386.475 3.779 20 30 GHEDRO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000329972734 862469107 /nfs/dbraw/zinc/46/91/07/862469107.db2.gz WJDYSQZGLIHWMC-NVXWUHKLSA-N 1 0 382.508 3.928 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000517249218 853565550 /nfs/dbraw/zinc/56/55/50/853565550.db2.gz SNSBYSJSEQGHJN-IBGZPJMESA-N 1 0 382.556 3.942 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1cccc(C)c1 ZINC000055012633 853628964 /nfs/dbraw/zinc/62/89/64/853628964.db2.gz BNNDESQPZUJLTE-UHFFFAOYSA-O 1 0 385.553 3.656 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1cccc(CO)c1 ZINC000055012765 853629043 /nfs/dbraw/zinc/62/90/43/853629043.db2.gz TXVWYFRDBFSLFN-UHFFFAOYSA-O 1 0 397.564 3.769 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729481821 853651909 /nfs/dbraw/zinc/65/19/09/853651909.db2.gz YLLFDTWVOYZGCY-LPHOPBHVSA-N 1 0 386.430 3.852 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c(C(F)(F)F)c1 ZINC000570936787 853654320 /nfs/dbraw/zinc/65/43/20/853654320.db2.gz USROLUVSJZEJGK-SFHVURJKSA-N 1 0 379.426 3.990 20 30 GHEDRO CCCOc1ccc(C[N@H+](CCC)Cc2cnc3c(C#N)cnn3c2)cc1OC ZINC000570964128 853663790 /nfs/dbraw/zinc/66/37/90/853663790.db2.gz CEKLRUHVGLAJMJ-UHFFFAOYSA-N 1 0 393.491 3.811 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC000571118206 853751154 /nfs/dbraw/zinc/75/11/54/853751154.db2.gz RPTJSWLWYAGKFQ-UHFFFAOYSA-N 1 0 390.487 3.509 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3)c(C(F)(F)F)c2)CC1 ZINC000044796611 853846490 /nfs/dbraw/zinc/84/64/90/853846490.db2.gz DWMIAYMRHWPODF-UHFFFAOYSA-N 1 0 388.393 3.581 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1ccc(C)cc1 ZINC000520183702 853932583 /nfs/dbraw/zinc/93/25/83/853932583.db2.gz LGKBMQKDCVYRNS-UHFFFAOYSA-N 1 0 396.535 3.782 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481905799 862522924 /nfs/dbraw/zinc/52/29/24/862522924.db2.gz PVNBMAYZWHXLPI-ZEQRLZLVSA-N 1 0 387.527 3.734 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)NCc1ccccc1)[n+]1cccc(C)c1 ZINC000186957196 862526751 /nfs/dbraw/zinc/52/67/51/862526751.db2.gz GMLFKWFHWQJVCP-UHFFFAOYSA-O 1 0 380.493 3.616 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000520406368 854176425 /nfs/dbraw/zinc/17/64/25/854176425.db2.gz BMCQUUBQXIKKQV-AEFFLSMTSA-N 1 0 398.580 3.739 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793527 862541072 /nfs/dbraw/zinc/54/10/72/862541072.db2.gz LPHZOIDDAHSEQZ-UHFFFAOYSA-N 1 0 394.544 3.813 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000588216037 854219795 /nfs/dbraw/zinc/21/97/95/854219795.db2.gz RTPMFQAJFVYFBT-IVZQSRNASA-N 1 0 384.499 3.929 20 30 GHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588235783 854226769 /nfs/dbraw/zinc/22/67/69/854226769.db2.gz OKJTZIKPFOAKHF-LPHOPBHVSA-N 1 0 391.475 3.836 20 30 GHEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000571975663 854248890 /nfs/dbraw/zinc/24/88/90/854248890.db2.gz ROSJNVSIZLZLMI-INIZCTEOSA-N 1 0 381.501 3.616 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)CC1 ZINC001211858844 854308531 /nfs/dbraw/zinc/30/85/31/854308531.db2.gz JFGFVGJEADTPQD-UHFFFAOYSA-N 1 0 397.972 3.733 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2ncc3c(c2C#N)CCC3)CCOCC1)c1ccccc1 ZINC000572115270 854398307 /nfs/dbraw/zinc/39/83/07/854398307.db2.gz ZADCPANZDATYSA-QGZVFWFLSA-N 1 0 376.504 3.754 20 30 GHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000328623025 854484184 /nfs/dbraw/zinc/48/41/84/854484184.db2.gz YOIXFKUIDLJIIG-CQSZACIVSA-N 1 0 380.558 3.513 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000328623007 854484342 /nfs/dbraw/zinc/48/43/42/854484342.db2.gz YNJADBNOHLSJBP-HOCLYGCPSA-N 1 0 377.533 3.729 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC23CCOCC3)[C@@H]1c1cccs1 ZINC000328644782 854488029 /nfs/dbraw/zinc/48/80/29/854488029.db2.gz AQSVWNCVNTVJKD-BHIYHBOVSA-N 1 0 391.581 3.984 20 30 GHEDRO Cc1cc([C@H]2CCCN(C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)C2)[nH]n1 ZINC000328657825 854492350 /nfs/dbraw/zinc/49/23/50/854492350.db2.gz PVTSYVMKJPRPFH-HDYDNRTBSA-N 1 0 387.572 3.855 20 30 GHEDRO CC(=O)N[C@H](C)C1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000328601306 854501156 /nfs/dbraw/zinc/50/11/56/854501156.db2.gz FGGAYYNKRMVDEE-IHLLOCCUSA-N 1 0 397.563 3.892 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccnn3C)C2)c(C)c1 ZINC000328738188 854522714 /nfs/dbraw/zinc/52/27/14/854522714.db2.gz MABRYYOACMKWPJ-SJORKVTESA-N 1 0 383.496 3.807 20 30 GHEDRO C=CC[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000604894763 862574899 /nfs/dbraw/zinc/57/48/99/862574899.db2.gz HVYJCABMUCTZGH-FQEVSTJZSA-N 1 0 392.547 3.773 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N[C@@H]1CCCC12CCOCC2 ZINC000328780128 854554499 /nfs/dbraw/zinc/55/44/99/854554499.db2.gz JCBFODWXMMOMIS-LEWJYISDSA-N 1 0 385.552 3.894 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CC1 ZINC000330104116 862578260 /nfs/dbraw/zinc/57/82/60/862578260.db2.gz GTPPPMNAUXGMAY-UHFFFAOYSA-N 1 0 384.524 3.576 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000328797095 854560950 /nfs/dbraw/zinc/56/09/50/854560950.db2.gz VKEZSTAYJXLFPZ-MRXNPFEDSA-N 1 0 375.488 3.651 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000328836030 854568191 /nfs/dbraw/zinc/56/81/91/854568191.db2.gz MNEDKTDTULZVLY-CPUCHLNUSA-N 1 0 375.538 3.958 20 30 GHEDRO CC(C)Cn1ncc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C(F)F ZINC000328847332 854575389 /nfs/dbraw/zinc/57/53/89/854575389.db2.gz SLDYEKYSGQTPBQ-OAHLLOKOSA-N 1 0 383.487 3.686 20 30 GHEDRO CN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000328877600 854594404 /nfs/dbraw/zinc/59/44/04/854594404.db2.gz KQPGPAIETOVNEM-UWWQBHOKSA-N 1 0 377.916 3.689 20 30 GHEDRO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000328959096 854633190 /nfs/dbraw/zinc/63/31/90/854633190.db2.gz OTZICSFYLODPBB-VDGAXYAQSA-N 1 0 376.472 3.503 20 30 GHEDRO O=C(CC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O)Nc1c(Cl)cccc1Cl ZINC000328977052 854638413 /nfs/dbraw/zinc/63/84/13/854638413.db2.gz QIPHVNJBLOLMTE-DAXOMENPSA-N 1 0 387.307 3.833 20 30 GHEDRO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000330123477 862594302 /nfs/dbraw/zinc/59/43/02/862594302.db2.gz HPYQYGFKOCVQFW-OFNKIYASSA-N 1 0 393.535 3.689 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+](CC(C)C)CC2)c1C#N ZINC000052660826 854775838 /nfs/dbraw/zinc/77/58/38/854775838.db2.gz TYJIEHBEKNQNOV-UHFFFAOYSA-N 1 0 399.583 3.694 20 30 GHEDRO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000330982512 854790688 /nfs/dbraw/zinc/79/06/88/854790688.db2.gz ODFLIJAFVMMELA-CQSZACIVSA-N 1 0 398.345 3.593 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)cc1 ZINC000186264564 854818387 /nfs/dbraw/zinc/81/83/87/854818387.db2.gz YFKDQVAZCXHOFX-KRWDZBQOSA-N 1 0 385.533 3.748 20 30 GHEDRO Cc1c(CSC(C)C)cccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331206716 854825292 /nfs/dbraw/zinc/82/52/92/854825292.db2.gz ZXBPEMJYTYKLTR-JKSUJKDBSA-N 1 0 379.570 3.569 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000331338770 854837793 /nfs/dbraw/zinc/83/77/93/854837793.db2.gz RKOKCHIUAHOWCR-AWEZNQCLSA-N 1 0 378.314 3.993 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000127824822 854997359 /nfs/dbraw/zinc/99/73/59/854997359.db2.gz REGPORCCZGSBNZ-UYAOXDASSA-N 1 0 393.535 3.635 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000765811500 855020533 /nfs/dbraw/zinc/02/05/33/855020533.db2.gz YJAVVGZKKAJCBM-VXKWHMMOSA-N 1 0 384.907 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC[C@@H]1CC1CCC1 ZINC000669334940 855027250 /nfs/dbraw/zinc/02/72/50/855027250.db2.gz GWOKCRXRBWNQIB-NJYVYQBISA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1CC(C)(C)C ZINC000669334421 855033571 /nfs/dbraw/zinc/03/35/71/855033571.db2.gz ALJTWHFFFRWRSA-QRVBRYPASA-N 1 0 387.572 3.795 20 30 GHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000589648980 855089243 /nfs/dbraw/zinc/08/92/43/855089243.db2.gz GFVFRAVBZGAWNM-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000056843086 855092137 /nfs/dbraw/zinc/09/21/37/855092137.db2.gz VVVVCOOUGPGFGL-QFIPXVFZSA-N 1 0 376.504 3.627 20 30 GHEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000330181049 862642034 /nfs/dbraw/zinc/64/20/34/862642034.db2.gz NTNSDBJLLCSLQC-UYZIEWPDSA-N 1 0 394.519 3.698 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000056973982 855164816 /nfs/dbraw/zinc/16/48/16/855164816.db2.gz UXLKXVCWQGTFAV-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000330190500 862649364 /nfs/dbraw/zinc/64/93/64/862649364.db2.gz WDQTVSMCILFKTQ-ADHNFCLRSA-N 1 0 399.579 3.984 20 30 GHEDRO C[C@H]([NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C(=O)NC1(C#N)CCC1 ZINC000590014369 855227400 /nfs/dbraw/zinc/22/74/00/855227400.db2.gz JKFKISUSPOIZFK-LRDDRELGSA-N 1 0 390.325 3.613 20 30 GHEDRO CC[C@@H](Oc1ccccc1C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000427579778 855297803 /nfs/dbraw/zinc/29/78/03/855297803.db2.gz MEJZGZQKONHMHO-OAQYLSRUSA-N 1 0 379.504 3.615 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(Br)c2)c(C#N)c1C ZINC000590195091 855317521 /nfs/dbraw/zinc/31/75/21/855317521.db2.gz WGNGGKZDIXCDAG-SNVBAGLBSA-N 1 0 394.244 3.959 20 30 GHEDRO CN(C)c1cc(C#N)cc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000590210694 855322380 /nfs/dbraw/zinc/32/23/80/855322380.db2.gz URIFDYOSPIYHSX-UHFFFAOYSA-N 1 0 390.531 3.608 20 30 GHEDRO C[NH+]1CCC(CCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091217718 855352653 /nfs/dbraw/zinc/35/26/53/855352653.db2.gz JBWQGDNRCGCYOE-UHFFFAOYSA-N 1 0 376.504 3.756 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCC[C@H]1Cc1ccccc1 ZINC000330220562 862672866 /nfs/dbraw/zinc/67/28/66/862672866.db2.gz KWXNYPFYJRRIRA-ZRBLBEILSA-N 1 0 399.579 3.766 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C#N)nc1 ZINC000590453326 855428295 /nfs/dbraw/zinc/42/82/95/855428295.db2.gz YIJSWQFBFMGJRA-QHCPKHFHSA-N 1 0 390.531 3.759 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2ccccc2C#N)C1 ZINC000107728833 855529225 /nfs/dbraw/zinc/52/92/25/855529225.db2.gz UPEGABIZHJWNIB-OALUTQOASA-N 1 0 391.515 3.731 20 30 GHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000590702268 855553149 /nfs/dbraw/zinc/55/31/49/855553149.db2.gz FHGVNFWUOBPSJF-CQSZACIVSA-N 1 0 376.407 3.754 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(C#N)c1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000590701828 855553168 /nfs/dbraw/zinc/55/31/68/855553168.db2.gz IQRIKKPUGDQHLG-UKRRQHHQSA-N 1 0 390.325 3.704 20 30 GHEDRO O=C(C[NH+]1CCC(OC[C@H]2CCCCO2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000330249029 862692831 /nfs/dbraw/zinc/69/28/31/862692831.db2.gz ZQHDUYLADKDXRS-RXXSEBCPSA-N 1 0 390.568 3.962 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(-c2ccccc2)nn1C ZINC000590778548 855580103 /nfs/dbraw/zinc/58/01/03/855580103.db2.gz OOAFBPNNUOEEMU-LAUBAEHRSA-N 1 0 399.498 3.805 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000330256431 862697841 /nfs/dbraw/zinc/69/78/41/862697841.db2.gz QBUWFQWZMNUMLN-VKIDHGPPSA-N 1 0 397.629 3.568 20 30 GHEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)cc1 ZINC001168643691 855663060 /nfs/dbraw/zinc/66/30/60/855663060.db2.gz KAYOGFPUSNIWAO-OAHLLOKOSA-N 1 0 399.454 3.833 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000330264899 862705671 /nfs/dbraw/zinc/70/56/71/862705671.db2.gz YMEGDHMYJGMBAQ-IRLDBZIGSA-N 1 0 385.552 3.841 20 30 GHEDRO C[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCc2sccc2C1 ZINC000301339197 855668811 /nfs/dbraw/zinc/66/88/11/855668811.db2.gz HOIFDFYVABRGJJ-ZDUSSCGKSA-N 1 0 393.472 3.935 20 30 GHEDRO COc1ccccc1[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000301628653 855729188 /nfs/dbraw/zinc/72/91/88/855729188.db2.gz IEELSGDXMFTJRM-KRWDZBQOSA-N 1 0 381.436 3.509 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000591026613 855746248 /nfs/dbraw/zinc/74/62/48/855746248.db2.gz IXSDHFWMONUALR-QFIPXVFZSA-N 1 0 376.504 3.704 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000591066831 855764327 /nfs/dbraw/zinc/76/43/27/855764327.db2.gz XHOUODVRGXRRFI-NJYVYQBISA-N 1 0 383.561 3.502 20 30 GHEDRO CN(C(=O)CCc1ccc(C#N)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126841735 855768886 /nfs/dbraw/zinc/76/88/86/855768886.db2.gz ZQQQRANQNGKSBH-UHFFFAOYSA-N 1 0 377.488 3.628 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)ncn2)cc1 ZINC000301956197 855787390 /nfs/dbraw/zinc/78/73/90/855787390.db2.gz LNVBKKVAAAXFTF-LJQANCHMSA-N 1 0 399.498 3.836 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302029118 855803468 /nfs/dbraw/zinc/80/34/68/855803468.db2.gz BCHMPWHKSFJZPQ-KRWDZBQOSA-N 1 0 390.409 3.541 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000302041695 855806217 /nfs/dbraw/zinc/80/62/17/855806217.db2.gz IGUBUOXWIVJPGG-HXUWFJFHSA-N 1 0 390.462 3.733 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000520616029 855808627 /nfs/dbraw/zinc/80/86/27/855808627.db2.gz KAAICQHJQNDEEC-UHFFFAOYSA-N 1 0 390.535 3.705 20 30 GHEDRO N#Cc1ccnc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000302089562 855814008 /nfs/dbraw/zinc/81/40/08/855814008.db2.gz APMXCHYGWQRAQE-GUDVDZBRSA-N 1 0 377.448 3.574 20 30 GHEDRO CC[NH+]1CCN(Cc2ccccc2CNc2cc(C(C)=O)ccc2C#N)CC1 ZINC000302091448 855815738 /nfs/dbraw/zinc/81/57/38/855815738.db2.gz GZWCYGKXBWVDTL-UHFFFAOYSA-N 1 0 376.504 3.510 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)nc2ccccc21 ZINC000733107202 862723660 /nfs/dbraw/zinc/72/36/60/862723660.db2.gz KEGRWASGIZEFAO-UHFFFAOYSA-N 1 0 392.890 3.964 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000302388692 855861013 /nfs/dbraw/zinc/86/10/13/855861013.db2.gz JAJOLHHOIUGHJG-IRXDYDNUSA-N 1 0 375.394 3.624 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N(C)C ZINC000573101209 855865693 /nfs/dbraw/zinc/86/56/93/855865693.db2.gz PRVCLGVRXFOPBR-SFTDATJTSA-N 1 0 377.488 3.753 20 30 GHEDRO COc1ccc([C@H](CNc2c(C#N)cnc3ccccc32)[NH+](C)C)cc1OC ZINC000302545336 855877072 /nfs/dbraw/zinc/87/70/72/855877072.db2.gz IOSLCXXCVRTESC-IBGZPJMESA-N 1 0 376.460 3.838 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000591277479 855879972 /nfs/dbraw/zinc/87/99/72/855879972.db2.gz PADDRDGUWUAKDB-ROUUACIJSA-N 1 0 391.475 3.599 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)c2)cc1 ZINC000108515264 855920955 /nfs/dbraw/zinc/92/09/55/855920955.db2.gz KFHOYLJAELZSAE-LJQANCHMSA-N 1 0 376.460 3.956 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000108592577 855950728 /nfs/dbraw/zinc/95/07/28/855950728.db2.gz ZQPRJDNCWZJNKL-JTHBVZDNSA-N 1 0 391.515 3.742 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCSC1 ZINC000484999140 855968418 /nfs/dbraw/zinc/96/84/18/855968418.db2.gz AHJUTKJKROVARA-OAQYLSRUSA-N 1 0 396.516 3.909 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000171141047 855977613 /nfs/dbraw/zinc/97/76/13/855977613.db2.gz JVCZVGDEGGOZFV-UHFFFAOYSA-N 1 0 379.508 3.855 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152201 862745883 /nfs/dbraw/zinc/74/58/83/862745883.db2.gz QMNFEORVGZKEMW-UWJYYQICSA-N 1 0 396.535 3.841 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000520140610 856075474 /nfs/dbraw/zinc/07/54/74/856075474.db2.gz WDWSJCVBAHVFEN-HNAYVOBHSA-N 1 0 385.895 3.614 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000441741340 856161581 /nfs/dbraw/zinc/16/15/81/856161581.db2.gz OQRIIIQUAWRQSP-UGSOOPFHSA-N 1 0 389.377 3.913 20 30 GHEDRO CCN(C(=O)NCc1ccc(C#N)s1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000591550722 856170600 /nfs/dbraw/zinc/17/06/00/856170600.db2.gz MYLVLKSDZMJQPI-SJLPKXTDSA-N 1 0 382.533 3.987 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000591764203 856230758 /nfs/dbraw/zinc/23/07/58/856230758.db2.gz WNWKLHOPJANKSU-APWZRJJASA-N 1 0 376.378 3.594 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC=C(c3c(C)[nH]c4ccccc43)CC2)CC1 ZINC000171740467 856248277 /nfs/dbraw/zinc/24/82/77/856248277.db2.gz FNGOBYQRSXWVDG-UHFFFAOYSA-N 1 0 378.520 3.925 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185184516 856259670 /nfs/dbraw/zinc/25/96/70/856259670.db2.gz ICIBBAYFKUXZQF-UHFFFAOYSA-N 1 0 395.503 3.654 20 30 GHEDRO CC(C)(C)c1cccc(OCCC[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000511700155 856289613 /nfs/dbraw/zinc/28/96/13/856289613.db2.gz GXTJCVFOUJQJHJ-UHFFFAOYSA-N 1 0 378.520 3.842 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 ZINC000511711645 856293368 /nfs/dbraw/zinc/29/33/68/856293368.db2.gz DTLKPEJAOMCNSR-HXUWFJFHSA-N 1 0 389.455 3.763 20 30 GHEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485286429 856307758 /nfs/dbraw/zinc/30/77/58/856307758.db2.gz LXCZUGGRXDWLTJ-YADHBBJMSA-N 1 0 375.472 3.729 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508903393 856378051 /nfs/dbraw/zinc/37/80/51/856378051.db2.gz OQZYRQGBUJHZJE-VQTJNVASSA-N 1 0 397.567 3.933 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184834568 856451458 /nfs/dbraw/zinc/45/14/58/856451458.db2.gz ZYKQAIKXYHNVMB-GOSISDBHSA-N 1 0 375.394 3.918 20 30 GHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000110172885 856464950 /nfs/dbraw/zinc/46/49/50/856464950.db2.gz YPBHQRUCKQWEBQ-HXUWFJFHSA-N 1 0 381.476 3.654 20 30 GHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000157541424 856475732 /nfs/dbraw/zinc/47/57/32/856475732.db2.gz QBDLLTIFIPDLTN-PVEYFEBJSA-N 1 0 387.572 3.917 20 30 GHEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508904142 856483452 /nfs/dbraw/zinc/48/34/52/856483452.db2.gz RUCMPWHINSYAAD-UHFFFAOYSA-N 1 0 387.531 3.883 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000507845848 856556252 /nfs/dbraw/zinc/55/62/52/856556252.db2.gz ROBXOHFAEFAPLF-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000674626517 856556748 /nfs/dbraw/zinc/55/67/48/856556748.db2.gz UCQRVVCDZUXWBC-UHFFFAOYSA-N 1 0 381.442 3.540 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000542883091 856606432 /nfs/dbraw/zinc/60/64/32/856606432.db2.gz JFWQKFYAPGAYMS-IBGZPJMESA-N 1 0 389.293 3.803 20 30 GHEDRO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000760929186 856675329 /nfs/dbraw/zinc/67/53/29/856675329.db2.gz SVRQRDGLIKLHAR-IBGZPJMESA-N 1 0 391.515 3.740 20 30 GHEDRO CC[C@@H](Oc1ccccc1C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000427740001 856681786 /nfs/dbraw/zinc/68/17/86/856681786.db2.gz GSMRNZWMBHXATD-OAQYLSRUSA-N 1 0 379.504 3.615 20 30 GHEDRO N#CCc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000592223014 856708141 /nfs/dbraw/zinc/70/81/41/856708141.db2.gz DKMBQIUEWSPXHN-UHFFFAOYSA-N 1 0 394.544 3.666 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1F ZINC000427785662 856736434 /nfs/dbraw/zinc/73/64/34/856736434.db2.gz DWLXXFFKNPCDKF-UHFFFAOYSA-N 1 0 387.480 3.527 20 30 GHEDRO Cc1oc(NC(=O)CN(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000592154109 856758354 /nfs/dbraw/zinc/75/83/54/856758354.db2.gz PDIPKMSSDHTBPD-HXUWFJFHSA-N 1 0 394.519 3.692 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000467431548 856816732 /nfs/dbraw/zinc/81/67/32/856816732.db2.gz AUYKUWXEZVHKGY-AWEZNQCLSA-N 1 0 386.293 3.870 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000281120983 862845184 /nfs/dbraw/zinc/84/51/84/862845184.db2.gz AKOMUFRYCJGCLY-GOSISDBHSA-N 1 0 388.556 3.668 20 30 GHEDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000517497433 856959158 /nfs/dbraw/zinc/95/91/58/856959158.db2.gz HOTQIXFXJXRTSE-FCHUYYIVSA-N 1 0 375.472 3.899 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000508142258 856986422 /nfs/dbraw/zinc/98/64/22/856986422.db2.gz MOADNOUGDPGPGP-UHFFFAOYSA-N 1 0 398.551 3.623 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)c1 ZINC000111751343 856998759 /nfs/dbraw/zinc/99/87/59/856998759.db2.gz LPWYZNGYMDNURT-UHFFFAOYSA-N 1 0 388.418 3.933 20 30 GHEDRO N#CCc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000592668760 857006739 /nfs/dbraw/zinc/00/67/39/857006739.db2.gz DGAUOZIHUFIREK-FQEVSTJZSA-N 1 0 383.442 3.526 20 30 GHEDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000508207103 857043306 /nfs/dbraw/zinc/04/33/06/857043306.db2.gz RTUFVSCAWUCJSQ-UHFFFAOYSA-N 1 0 380.492 3.940 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000733322579 862864890 /nfs/dbraw/zinc/86/48/90/862864890.db2.gz NOPSOYQFCUHJNQ-HSZRJFAPSA-N 1 0 398.934 3.905 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1CCCCC1 ZINC000058560399 857054811 /nfs/dbraw/zinc/05/48/11/857054811.db2.gz SGWRLTDTJKFFSD-UHFFFAOYSA-N 1 0 398.429 3.885 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc1 ZINC000485879953 857181489 /nfs/dbraw/zinc/18/14/89/857181489.db2.gz HWRUWBPWEYBVHB-YTFSRNRJSA-N 1 0 394.540 3.990 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC2(CC1)OCc1ccccc12)C(C)C ZINC000675419283 857330580 /nfs/dbraw/zinc/33/05/80/857330580.db2.gz HXXOWUTWWOOVAM-QFIPXVFZSA-N 1 0 397.563 3.916 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542978486 857350655 /nfs/dbraw/zinc/35/06/55/857350655.db2.gz BQSFKUYTWOFVCZ-HKUYNNGSSA-N 1 0 376.504 3.927 20 30 GHEDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cccc(OCc3cccc(C#N)c3)c1)C2 ZINC000520952130 857432630 /nfs/dbraw/zinc/43/26/30/857432630.db2.gz FMRIBKCOERXPCG-QFIPXVFZSA-N 1 0 384.483 3.883 20 30 GHEDRO C[C@@H](NC(=O)Nc1nc(Cl)c(C#N)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000888417900 857518755 /nfs/dbraw/zinc/51/87/55/857518755.db2.gz RMOZOALBDPJZOT-TZMCWYRMSA-N 1 0 389.912 3.700 20 30 GHEDRO C[C@@]1(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000593383491 857561696 /nfs/dbraw/zinc/56/16/96/857561696.db2.gz WQLVXGZJNWCSOY-JTHBVZDNSA-N 1 0 376.504 3.995 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(C#N)ccc3C)c(C)c2)CC1 ZINC000113557447 857566843 /nfs/dbraw/zinc/56/68/43/857566843.db2.gz KEVMODVJKMRNNJ-UHFFFAOYSA-N 1 0 377.492 3.961 20 30 GHEDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486274256 857611192 /nfs/dbraw/zinc/61/11/92/857611192.db2.gz ZZFVQZMJCDNFJA-SVMVAKDDSA-N 1 0 376.504 3.829 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C1CC1 ZINC000181586354 862930617 /nfs/dbraw/zinc/93/06/17/862930617.db2.gz JBIDQUUVIJYJTO-UNMCSNQZSA-N 1 0 383.442 3.647 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442216259 857630320 /nfs/dbraw/zinc/63/03/20/857630320.db2.gz NMFGPPQOMJVWDM-UHFFFAOYSA-N 1 0 396.369 3.646 20 30 GHEDRO Cc1ccc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)cc1NC(=O)CC[NH+](C)C ZINC000907421017 857635974 /nfs/dbraw/zinc/63/59/74/857635974.db2.gz JYQMKUFOOPQVCW-CNXQINBVSA-N 1 0 382.508 3.544 20 30 GHEDRO N#Cc1ccnc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1Cl ZINC000553096523 857721581 /nfs/dbraw/zinc/72/15/81/857721581.db2.gz RYKMPXKABWCELF-OAHLLOKOSA-N 1 0 380.801 3.734 20 30 GHEDRO CCOc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000058899043 857736808 /nfs/dbraw/zinc/73/68/08/857736808.db2.gz POHKENYZRMAGQM-UHFFFAOYSA-N 1 0 390.487 3.642 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000521196236 857741458 /nfs/dbraw/zinc/74/14/58/857741458.db2.gz VFQGHWXDEARZCI-UHFFFAOYSA-N 1 0 398.894 3.735 20 30 GHEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001168700668 857742192 /nfs/dbraw/zinc/74/21/92/857742192.db2.gz OTPMPHPXLLRMSE-VQTJNVASSA-N 1 0 379.508 3.637 20 30 GHEDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000594021863 857840702 /nfs/dbraw/zinc/84/07/02/857840702.db2.gz YPYJPICNHRQXSX-QGZVFWFLSA-N 1 0 388.581 3.683 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCCCO1 ZINC000594045032 857852118 /nfs/dbraw/zinc/85/21/18/857852118.db2.gz WMFDHEXLXLEZIA-BQFCYCMXSA-N 1 0 375.538 3.814 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000521374814 857927126 /nfs/dbraw/zinc/92/71/26/857927126.db2.gz CKAVITBAVRXTLN-QGZVFWFLSA-N 1 0 385.533 3.746 20 30 GHEDRO Cn1cc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000272953077 857985379 /nfs/dbraw/zinc/98/53/79/857985379.db2.gz YAPDEXAKSBQQAG-UHFFFAOYSA-N 1 0 389.478 3.988 20 30 GHEDRO C=CCN1C(=O)N(CCCC[NH+]2CCC(C)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000761050371 857989184 /nfs/dbraw/zinc/98/91/84/857989184.db2.gz JWFFSHIEEYFDJC-OAQYLSRUSA-N 1 0 383.536 3.560 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000521450918 858010247 /nfs/dbraw/zinc/01/02/47/858010247.db2.gz OWRVDNDALYTIGT-KRWDZBQOSA-N 1 0 395.551 3.592 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000574507670 858061840 /nfs/dbraw/zinc/06/18/40/858061840.db2.gz SPNURDQRGUPMSM-IBGZPJMESA-N 1 0 379.508 3.901 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000073440728 858063102 /nfs/dbraw/zinc/06/31/02/858063102.db2.gz OMHMRRWHMSXHBH-BHDDXSALSA-N 1 0 376.504 3.771 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000594430164 858174554 /nfs/dbraw/zinc/17/45/54/858174554.db2.gz ZNYXNVQCNXFLBK-LLVKDONJSA-N 1 0 386.399 3.587 20 30 GHEDRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594431436 858175323 /nfs/dbraw/zinc/17/53/23/858175323.db2.gz MLHXQXVIGSVMIF-RTWAWAEBSA-N 1 0 383.467 3.646 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000594437297 858177584 /nfs/dbraw/zinc/17/75/84/858177584.db2.gz LFIYUMKLZBPJKB-IERDGZPVSA-N 1 0 383.467 3.993 20 30 GHEDRO Cc1cc([C@@H]2CCCN2C(=O)[C@H]([NH3+])CCCCC#N)ccc1Br ZINC000594443766 858178251 /nfs/dbraw/zinc/17/82/51/858178251.db2.gz UHYLTOBZJQGSEC-SJORKVTESA-N 1 0 378.314 3.832 20 30 GHEDRO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000594428061 858185292 /nfs/dbraw/zinc/18/52/92/858185292.db2.gz KVZCDSKMBCAURA-OXJNMPFZSA-N 1 0 378.476 3.527 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000594425118 858185492 /nfs/dbraw/zinc/18/54/92/858185492.db2.gz KBSCNRNFSVJIJC-CYBMUJFWSA-N 1 0 393.310 3.922 20 30 GHEDRO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000594610032 858240985 /nfs/dbraw/zinc/24/09/85/858240985.db2.gz RRUAMVZWBJVRJH-GOSISDBHSA-N 1 0 393.878 3.754 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1C ZINC000594758209 858274224 /nfs/dbraw/zinc/27/42/24/858274224.db2.gz IOKBEYIBGZVAOP-CJNGLKHVSA-N 1 0 391.562 3.575 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000594919882 858305120 /nfs/dbraw/zinc/30/51/20/858305120.db2.gz CWDXTEZKGHDOQX-WMZHIEFXSA-N 1 0 375.516 3.621 20 30 GHEDRO CSc1nnc(CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1CC(C)C ZINC000594922955 858305914 /nfs/dbraw/zinc/30/59/14/858305914.db2.gz IGXLEQKHCNFEPC-UHFFFAOYSA-N 1 0 383.565 3.934 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000521785325 858323716 /nfs/dbraw/zinc/32/37/16/858323716.db2.gz KQBPTSVAEWZQGM-FQEVSTJZSA-N 1 0 388.512 3.947 20 30 GHEDRO C[N@@H+]1C[C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000592879811 858347463 /nfs/dbraw/zinc/34/74/63/858347463.db2.gz DQDMUWQJKGAGQJ-GGAORHGYSA-N 1 0 391.515 3.569 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC000067011098 858395041 /nfs/dbraw/zinc/39/50/41/858395041.db2.gz LIQOMJSMQJHHMV-UHFFFAOYSA-N 1 0 375.520 3.702 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC4CC3(C[NH3+])C4)cc2Cl)cc1 ZINC000595228325 858446035 /nfs/dbraw/zinc/44/60/35/858446035.db2.gz QWYOMUILMGKAQQ-UHFFFAOYSA-N 1 0 382.851 3.959 20 30 GHEDRO COCC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccc(C#N)cc1 ZINC000595296838 858454251 /nfs/dbraw/zinc/45/42/51/858454251.db2.gz LZFMJJXOYYTMOZ-FQEVSTJZSA-N 1 0 381.501 3.510 20 30 GHEDRO N#CCC[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000595269121 858458090 /nfs/dbraw/zinc/45/80/90/858458090.db2.gz OUTFNUSZFGANLU-HBMCJLEFSA-N 1 0 380.467 3.615 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000574972853 858479342 /nfs/dbraw/zinc/47/93/42/858479342.db2.gz PFSRVSCUHHSVSQ-HXUWFJFHSA-N 1 0 392.551 3.929 20 30 GHEDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115368576 858507838 /nfs/dbraw/zinc/50/78/38/858507838.db2.gz ZJVMGROSPPOSKP-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO CN(c1c(C#N)cnc2c(Br)cccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000522021876 858542970 /nfs/dbraw/zinc/54/29/70/858542970.db2.gz BTSNBHNCSVVSKG-YIONKMFJSA-N 1 0 385.309 3.930 20 30 GHEDRO N#CCC[C@@H](NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000595566289 858555152 /nfs/dbraw/zinc/55/51/52/858555152.db2.gz DMBPJEFJXMXKKX-JOCHJYFZSA-N 1 0 391.519 3.638 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000575219811 858608154 /nfs/dbraw/zinc/60/81/54/858608154.db2.gz LRKQWJVBJCRKIE-ICSRJNTNSA-N 1 0 390.535 3.949 20 30 GHEDRO Cc1ccc2c(c1)CN(C(=O)NC1CC[NH+](Cc3cccc(C#N)c3)CC1)CC2 ZINC000595654820 858639033 /nfs/dbraw/zinc/63/90/33/858639033.db2.gz YLPHQKKBJWUHNM-UHFFFAOYSA-N 1 0 388.515 3.599 20 30 GHEDRO C=CC[C@@H]1CCCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000595658610 858641186 /nfs/dbraw/zinc/64/11/86/858641186.db2.gz GCBGNCBELYHIIM-ZIAGYGMSSA-N 1 0 389.521 3.819 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3cccc4ccccc43)CCOCC2)c1 ZINC000595765225 858663292 /nfs/dbraw/zinc/66/32/92/858663292.db2.gz PQLZWGMRWCEPOK-UHFFFAOYSA-N 1 0 385.467 3.945 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000595777898 858685275 /nfs/dbraw/zinc/68/52/75/858685275.db2.gz LUBJLEUVMIYMDC-IAGOWNOFSA-N 1 0 375.900 3.866 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595786931 858687768 /nfs/dbraw/zinc/68/77/68/858687768.db2.gz CPPYZQQTUBLCJY-QKNQBKEWSA-N 1 0 399.535 3.611 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844623 858688780 /nfs/dbraw/zinc/68/87/80/858688780.db2.gz LVJKLTPSLAHMIF-UHFFFAOYSA-N 1 0 385.483 3.794 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1C ZINC000595792430 858690533 /nfs/dbraw/zinc/69/05/33/858690533.db2.gz ZVGQSNSZLQARMZ-UNMCSNQZSA-N 1 0 383.536 3.831 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1-n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001168709306 858704899 /nfs/dbraw/zinc/70/48/99/858704899.db2.gz YZQAKCOMZPZZKA-UHFFFAOYSA-N 1 0 395.970 3.713 20 30 GHEDRO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595866911 858718747 /nfs/dbraw/zinc/71/87/47/858718747.db2.gz NCLIGRMJEXMPKB-IFXJQAMLSA-N 1 0 381.442 3.767 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000595877412 858723558 /nfs/dbraw/zinc/72/35/58/858723558.db2.gz TXTBMJMWMAFTOF-GAJHUEQPSA-N 1 0 380.488 3.596 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)c(F)c3F)CC2)c1 ZINC000593133968 858742483 /nfs/dbraw/zinc/74/24/83/858742483.db2.gz RCRQCINYEZVKCC-UHFFFAOYSA-N 1 0 388.393 3.762 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNc2nc3ncccc3cc2C#N)cc1 ZINC000596077599 858773776 /nfs/dbraw/zinc/77/37/76/858773776.db2.gz KYTQFZVIHIKKGE-UHFFFAOYSA-N 1 0 375.476 3.834 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116025444 858790544 /nfs/dbraw/zinc/79/05/44/858790544.db2.gz PEVZPEBMPXKIHM-ZWKOTPCHSA-N 1 0 383.442 3.530 20 30 GHEDRO N#Cc1cc2cccnc2nc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000596167973 858811115 /nfs/dbraw/zinc/81/11/15/858811115.db2.gz KCVYHONMIDJOKB-UNMCSNQZSA-N 1 0 383.499 3.992 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000429676149 858813211 /nfs/dbraw/zinc/81/32/11/858813211.db2.gz ZSPRMVJMIPPSDO-IBGZPJMESA-N 1 0 391.515 3.839 20 30 GHEDRO C=CCN1CC(=O)N(C[C@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)C1=O ZINC000761161648 858830262 /nfs/dbraw/zinc/83/02/62/858830262.db2.gz KLFLAUYVFJEKHQ-MRXNPFEDSA-N 1 0 383.414 3.539 20 30 GHEDRO COc1cc2cc[nH+]c(N3CCN(c4ccsc4C#N)CC3)c2cc1OC ZINC000596350794 858850787 /nfs/dbraw/zinc/85/07/87/858850787.db2.gz ZBYLDBDIZHARPC-UHFFFAOYSA-N 1 0 380.473 3.512 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000596424060 858892840 /nfs/dbraw/zinc/89/28/40/858892840.db2.gz PKTYCKZFIAKIAK-KRWDZBQOSA-N 1 0 375.394 3.756 20 30 GHEDRO N#Cc1c(NCC2CC[NH+](Cc3ccncc3)CC2)nc2cc(Cl)ccn21 ZINC000596436710 858896612 /nfs/dbraw/zinc/89/66/12/858896612.db2.gz PEZUFLGGVLIFHL-UHFFFAOYSA-N 1 0 380.883 3.578 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000593177552 858897281 /nfs/dbraw/zinc/89/72/81/858897281.db2.gz LFWMKSUTTSERCZ-UHFFFAOYSA-N 1 0 393.447 3.561 20 30 GHEDRO CCCc1csc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593177727 858902209 /nfs/dbraw/zinc/90/22/09/858902209.db2.gz VFZKCSQCZOLWCK-UHFFFAOYSA-N 1 0 383.521 3.753 20 30 GHEDRO COC(=O)[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(Cl)c1 ZINC000593184173 858925612 /nfs/dbraw/zinc/92/56/12/858925612.db2.gz XWWZHIIZLAQBJE-OAQYLSRUSA-N 1 0 397.906 3.680 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322788 858939755 /nfs/dbraw/zinc/93/97/55/858939755.db2.gz OYHSYTXAUPLPDN-PMACEKPBSA-N 1 0 379.552 3.921 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCOC2)cc1OCC ZINC000543225785 858947131 /nfs/dbraw/zinc/94/71/31/858947131.db2.gz BCXIHXKZFJKDQA-CQSZACIVSA-N 1 0 384.314 3.929 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(CC)(CC)c2ccc(OC)c(OC)c2)CC1 ZINC000184721937 858987086 /nfs/dbraw/zinc/98/70/86/858987086.db2.gz HFHVCIDIOLUTKF-UHFFFAOYSA-N 1 0 388.552 3.918 20 30 GHEDRO CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CC[N@H+](C)C1 ZINC000596695627 859011678 /nfs/dbraw/zinc/01/16/78/859011678.db2.gz VDWYGLJLCSMPCL-FQEVSTJZSA-N 1 0 392.503 3.890 20 30 GHEDRO CC(C)(C)OC[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000923092680 859014888 /nfs/dbraw/zinc/01/48/88/859014888.db2.gz TXTKXCCWJZRXAS-OAQYLSRUSA-N 1 0 398.551 3.512 20 30 GHEDRO C[C@@H]1CN(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)CO1 ZINC000596732208 859029780 /nfs/dbraw/zinc/02/97/80/859029780.db2.gz JOTQPGPUSYQVST-DLBZAZTESA-N 1 0 394.475 3.581 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)c1ccccc1O2 ZINC000596789490 859077583 /nfs/dbraw/zinc/07/75/83/859077583.db2.gz HNQHRCZGZPLBQK-IBGZPJMESA-N 1 0 397.425 3.554 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185384290 859078251 /nfs/dbraw/zinc/07/82/51/859078251.db2.gz SKXWVIKZSNYCTN-FGZHOGPDSA-N 1 0 390.593 3.710 20 30 GHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H](C)CC#N)cc3)CC2)c1 ZINC000596794121 859079214 /nfs/dbraw/zinc/07/92/14/859079214.db2.gz PMGCZFOCTMLFIX-LJQANCHMSA-N 1 0 376.504 3.806 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CC2(C#N)CCCCC2)c1 ZINC000596817404 859103748 /nfs/dbraw/zinc/10/37/48/859103748.db2.gz ZBEJEOWDLIBURI-UHFFFAOYSA-N 1 0 384.524 3.561 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1C#N ZINC000060367713 859128757 /nfs/dbraw/zinc/12/87/57/859128757.db2.gz IDELVRKQFZJJTL-AWEZNQCLSA-N 1 0 386.565 3.793 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000483109374 859152494 /nfs/dbraw/zinc/15/24/94/859152494.db2.gz KBQYREWRJHOUKD-LJQANCHMSA-N 1 0 395.478 3.961 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)c1C#N ZINC000483135007 859172444 /nfs/dbraw/zinc/17/24/44/859172444.db2.gz DINSMJTWWXADGG-OAHLLOKOSA-N 1 0 386.540 3.513 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000128796910 859229870 /nfs/dbraw/zinc/22/98/70/859229870.db2.gz CELOHEGOTWLLHT-UHFFFAOYSA-N 1 0 379.378 3.938 20 30 GHEDRO Cc1nc(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)sc1SCC#N ZINC000597047867 859263572 /nfs/dbraw/zinc/26/35/72/859263572.db2.gz VKYHNOKWVIVUTG-INIZCTEOSA-N 1 0 386.546 3.885 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C[C@@H](C)O)C2CCCCC2)ccc1Cl ZINC000470216816 859287921 /nfs/dbraw/zinc/28/79/21/859287921.db2.gz VKXBLUDVBFKHTP-QGZVFWFLSA-N 1 0 391.943 3.911 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000593333846 859448472 /nfs/dbraw/zinc/44/84/72/859448472.db2.gz WPJGYAASNJSJBU-INIZCTEOSA-N 1 0 380.517 3.557 20 30 GHEDRO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593341074 859491506 /nfs/dbraw/zinc/49/15/06/859491506.db2.gz JJQVMKSYCBNVNR-HXOBKFHXSA-N 1 0 388.515 3.755 20 30 GHEDRO CCc1ccccc1OCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593346995 859513235 /nfs/dbraw/zinc/51/32/35/859513235.db2.gz BACFMFBSJPOAMH-UHFFFAOYSA-N 1 0 391.515 3.670 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000601745840 859519872 /nfs/dbraw/zinc/51/98/72/859519872.db2.gz ZOOJORVVZOTOHK-UHFFFAOYSA-N 1 0 396.535 3.534 20 30 GHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C(C)C)n1 ZINC000593350186 859522488 /nfs/dbraw/zinc/52/24/88/859522488.db2.gz VDUPDTVCOWNPJW-UHFFFAOYSA-N 1 0 376.504 3.780 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1CC1 ZINC000597424276 859527672 /nfs/dbraw/zinc/52/76/72/859527672.db2.gz HHARFHHBGHDZDF-SFHVURJKSA-N 1 0 392.551 3.786 20 30 GHEDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352888 859536935 /nfs/dbraw/zinc/53/69/35/859536935.db2.gz GWZBZUMBRJLVPB-PMACEKPBSA-N 1 0 379.529 3.813 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cnn1CCC(C)C ZINC000593355682 859545751 /nfs/dbraw/zinc/54/57/51/859545751.db2.gz YFTRFGYPBZWLQX-UHFFFAOYSA-N 1 0 393.535 3.504 20 30 GHEDRO Cc1cc2ccccc2n1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593353521 859547709 /nfs/dbraw/zinc/54/77/09/859547709.db2.gz SOXHBTDKTWSHJJ-UHFFFAOYSA-N 1 0 386.499 3.602 20 30 GHEDRO CCCN(C)c1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593353932 859550204 /nfs/dbraw/zinc/55/02/04/859550204.db2.gz HIILNDZHLUHQPU-UHFFFAOYSA-N 1 0 390.531 3.799 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4cccc(F)c4o3)CC2)c1 ZINC000593355294 859558997 /nfs/dbraw/zinc/55/89/97/859558997.db2.gz WKAWPVQCBOQREZ-UHFFFAOYSA-N 1 0 377.419 3.838 20 30 GHEDRO CSc1ccc(C)c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593355913 859565278 /nfs/dbraw/zinc/56/52/78/859565278.db2.gz SLKSATXUVMRULT-UHFFFAOYSA-N 1 0 379.529 3.983 20 30 GHEDRO Cc1ccccc1OCCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000060575770 859571166 /nfs/dbraw/zinc/57/11/66/859571166.db2.gz RHPHJEGTYWJOCL-UHFFFAOYSA-N 1 0 379.504 3.616 20 30 GHEDRO Cc1cccc(OCCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000060575841 859572256 /nfs/dbraw/zinc/57/22/56/859572256.db2.gz JZEUSOHCXKFFIM-UHFFFAOYSA-N 1 0 379.504 3.616 20 30 GHEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560461 881440734 /nfs/dbraw/zinc/44/07/34/881440734.db2.gz NAPNXWDWZZWVMD-OAQYLSRUSA-N 1 0 382.483 3.586 20 30 GHEDRO CC(C)[NH+](CCSCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000161099903 859592657 /nfs/dbraw/zinc/59/26/57/859592657.db2.gz DGFBYDTXILXFPU-UHFFFAOYSA-N 1 0 385.537 3.534 20 30 GHEDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000597617629 859685426 /nfs/dbraw/zinc/68/54/26/859685426.db2.gz TVBOXRCMRWSXHV-QGZVFWFLSA-N 1 0 391.943 3.545 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCCc4sccc43)CC2)c1 ZINC000593392067 859706680 /nfs/dbraw/zinc/70/66/80/859706680.db2.gz FCHUXMOAHVWNLZ-FQEVSTJZSA-N 1 0 394.544 3.961 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[N@H+](Cc3ccccc3)CC2)c1C#N ZINC000611346061 859721724 /nfs/dbraw/zinc/72/17/24/859721724.db2.gz LHPMVYCZUVTOGX-UHFFFAOYSA-N 1 0 385.515 3.760 20 30 GHEDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000611386277 859730599 /nfs/dbraw/zinc/73/05/99/859730599.db2.gz HAKPCTMLPZMQDF-KKSFZXQISA-N 1 0 393.487 3.590 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)c1cccc(C#N)c1 ZINC000611388472 859732081 /nfs/dbraw/zinc/73/20/81/859732081.db2.gz IMIALTIFOCBOMD-HNNXBMFYSA-N 1 0 375.394 3.800 20 30 GHEDRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611388269 859732727 /nfs/dbraw/zinc/73/27/27/859732727.db2.gz DWDWPSXOCOZMTF-MRXNPFEDSA-N 1 0 387.487 3.959 20 30 GHEDRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000611392903 859735747 /nfs/dbraw/zinc/73/57/47/859735747.db2.gz UURLGXYWNWTMOK-PXAZEXFGSA-N 1 0 380.355 3.810 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000611390280 859740587 /nfs/dbraw/zinc/74/05/87/859740587.db2.gz NZCQFUOUDZUCKN-GOTSBHOMSA-N 1 0 379.479 3.738 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCCCC3(F)F)CC2)c1 ZINC000593409392 859764536 /nfs/dbraw/zinc/76/45/36/859764536.db2.gz OSUCTFGLMLZLDF-SFHVURJKSA-N 1 0 390.478 3.647 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)N2Cc3cccc(C#N)c3C2)[NH+](C)C)cc1 ZINC000593410116 859766110 /nfs/dbraw/zinc/76/61/10/859766110.db2.gz JDQMMUNUCVTMQF-QFIPXVFZSA-N 1 0 392.503 3.674 20 30 GHEDRO CCOC(=O)CCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000611518895 859791884 /nfs/dbraw/zinc/79/18/84/859791884.db2.gz IQEHBLQEMCIQBB-UHFFFAOYSA-N 1 0 380.492 3.514 20 30 GHEDRO Cc1ccc(C)n1C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611515640 859796104 /nfs/dbraw/zinc/79/61/04/859796104.db2.gz IGIZPQKQNXQUDN-QFIPXVFZSA-N 1 0 376.504 3.809 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC4(CC3)OCc3ccccc34)C2=O)cc1 ZINC000611516323 859797106 /nfs/dbraw/zinc/79/71/06/859797106.db2.gz AKNXBUSSRBZRGW-JOCHJYFZSA-N 1 0 387.483 3.575 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000118395517 859832455 /nfs/dbraw/zinc/83/24/55/859832455.db2.gz GAQJWGNYVRJTCS-IFMALSPDSA-N 1 0 389.547 3.548 20 30 GHEDRO CCO/C=C/[C@@](O)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000895706279 859834991 /nfs/dbraw/zinc/83/49/91/859834991.db2.gz AZIWZONQGNZPPJ-CIWMYDAHSA-N 1 0 382.426 3.824 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597911288 859905238 /nfs/dbraw/zinc/90/52/38/859905238.db2.gz IWSHRVUMLCDYNM-PKOBYXMFSA-N 1 0 379.426 3.593 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2c1 ZINC000123465445 859972697 /nfs/dbraw/zinc/97/26/97/859972697.db2.gz YVRUGIGQLHRIQU-UHFFFAOYSA-N 1 0 396.376 3.700 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC)CC1 ZINC000555091294 860005550 /nfs/dbraw/zinc/00/55/50/860005550.db2.gz DCVSXLIMBQJBRA-UHFFFAOYSA-N 1 0 380.540 3.785 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1ccc(F)cc1F ZINC000727241442 860009475 /nfs/dbraw/zinc/00/94/75/860009475.db2.gz NBHNHJFYCYPZRI-UHFFFAOYSA-N 1 0 391.462 3.635 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c(-c2ccccc2)n1 ZINC000922465612 860032688 /nfs/dbraw/zinc/03/26/88/860032688.db2.gz ZEQIOQWSOPLLHA-DLBZAZTESA-N 1 0 378.398 3.663 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000602519429 860072221 /nfs/dbraw/zinc/07/22/21/860072221.db2.gz YGLXXKPXPFBAES-INIZCTEOSA-N 1 0 377.479 3.618 20 30 GHEDRO CC(C)(C)C1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593512057 860077655 /nfs/dbraw/zinc/07/76/55/860077655.db2.gz RQJPBZJOHCWRSA-UHFFFAOYSA-N 1 0 382.552 3.990 20 30 GHEDRO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513605 860079647 /nfs/dbraw/zinc/07/96/47/860079647.db2.gz LURWWCXZSIPDLR-KBXCAEBGSA-N 1 0 394.441 3.505 20 30 GHEDRO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513607 860079660 /nfs/dbraw/zinc/07/96/60/860079660.db2.gz LURWWCXZSIPDLR-KSSFIOAISA-N 1 0 394.441 3.505 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000602547968 860094608 /nfs/dbraw/zinc/09/46/08/860094608.db2.gz VISNLSVIZJFALA-CVEARBPZSA-N 1 0 379.451 3.555 20 30 GHEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1cccc(C#N)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000602535791 860104615 /nfs/dbraw/zinc/10/46/15/860104615.db2.gz SKOWTPJEQYDCNX-VGOFRKELSA-N 1 0 391.519 3.696 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@H](C)CCC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000602558384 860109665 /nfs/dbraw/zinc/10/96/65/860109665.db2.gz PPESHGBVBBGJID-IIBYNOLFSA-N 1 0 386.517 3.718 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000602565285 860116340 /nfs/dbraw/zinc/11/63/40/860116340.db2.gz DXLCTKVSRKVWNX-GJZGRUSLSA-N 1 0 381.314 3.905 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3ccc4cc([N+](=O)[O-])ccc4n3)CC2)c1 ZINC000593515603 860123671 /nfs/dbraw/zinc/12/36/71/860123671.db2.gz OFWIMQAQRRJOMB-UHFFFAOYSA-N 1 0 387.443 3.513 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3nccc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000593518162 860129710 /nfs/dbraw/zinc/12/97/10/860129710.db2.gz TXNAFVGMYXNTPS-UHFFFAOYSA-N 1 0 387.443 3.513 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000598195950 860139863 /nfs/dbraw/zinc/13/98/63/860139863.db2.gz XRPSVQKEDZFSCI-JOCHJYFZSA-N 1 0 393.506 3.750 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000092849280 860144768 /nfs/dbraw/zinc/14/47/68/860144768.db2.gz BLTDQEFCIVWSTL-UNMCSNQZSA-N 1 0 396.922 3.751 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(C3(c4ccccc4Br)CC3)no1)C2 ZINC000904118128 860145432 /nfs/dbraw/zinc/14/54/32/860145432.db2.gz GOGUAAHDQGCOMW-YNAXMUEKSA-N 1 0 399.292 3.519 20 30 GHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CCC[NH+]1CCCC1 ZINC000499927074 860178808 /nfs/dbraw/zinc/17/88/08/860178808.db2.gz IFVZATBJRJFBHX-INIZCTEOSA-N 1 0 388.581 3.633 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400905 860267301 /nfs/dbraw/zinc/26/73/01/860267301.db2.gz QCYXFDPNWZDUEG-WMZOPIPTSA-N 1 0 398.482 3.644 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000329255862 860322093 /nfs/dbraw/zinc/32/20/93/860322093.db2.gz XHTXLFMPLBIPIA-OXQOHEQNSA-N 1 0 376.460 3.908 20 30 GHEDRO Cc1nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121177116 860356878 /nfs/dbraw/zinc/35/68/78/860356878.db2.gz GWCUSALYBRGMEN-UHFFFAOYSA-N 1 0 391.431 3.626 20 30 GHEDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 ZINC000602912227 860363759 /nfs/dbraw/zinc/36/37/59/860363759.db2.gz MKGFNPKDQQZHKQ-HOTGVXAUSA-N 1 0 380.467 3.538 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000499981276 860370046 /nfs/dbraw/zinc/37/00/46/860370046.db2.gz QKPLOKOXKNESLL-OADZCNSWSA-N 1 0 389.543 3.881 20 30 GHEDRO C[N@@H+](Cc1ccccc1OCc1ccccc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000602959505 860382172 /nfs/dbraw/zinc/38/21/72/860382172.db2.gz PDSBVSKFVPRDOP-JOCHJYFZSA-N 1 0 394.515 3.769 20 30 GHEDRO COC(=O)c1csc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000552281951 860415744 /nfs/dbraw/zinc/41/57/44/860415744.db2.gz PURQNGKMWSPHEY-IGEOTXOUSA-N 1 0 385.489 3.842 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)ccc1OCc1ccncc1 ZINC000598599713 860440898 /nfs/dbraw/zinc/44/08/98/860440898.db2.gz DDJOSBUEEFPEPM-VQIMIIECSA-N 1 0 383.492 3.621 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000598600219 860441082 /nfs/dbraw/zinc/44/10/82/860441082.db2.gz IOZISTQBKIMMAS-OXJNMPFZSA-N 1 0 397.494 3.958 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000922675191 860462660 /nfs/dbraw/zinc/46/26/60/860462660.db2.gz BBVNYOOQVKIUDD-OALUTQOASA-N 1 0 381.442 3.612 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603084594 860468107 /nfs/dbraw/zinc/46/81/07/860468107.db2.gz USKDJTMNBKCVMH-UHFFFAOYSA-N 1 0 376.485 3.829 20 30 GHEDRO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000130778574 860477397 /nfs/dbraw/zinc/47/73/97/860477397.db2.gz MNZLKHVIHSFTSF-UHFFFAOYSA-N 1 0 399.922 3.555 20 30 GHEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000593593745 860496130 /nfs/dbraw/zinc/49/61/30/860496130.db2.gz FKGGGDRQEVKIGF-KRWDZBQOSA-N 1 0 386.540 3.660 20 30 GHEDRO N#CCCc1ccc(NC(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000904540419 860501373 /nfs/dbraw/zinc/50/13/73/860501373.db2.gz ZJNLZLZLNQALOQ-KNQAVFIVSA-N 1 0 376.460 3.520 20 30 GHEDRO N#Cc1ncn(CC[NH2+][C@H](c2sccc2Br)C2CCCCC2)n1 ZINC000552339687 860511455 /nfs/dbraw/zinc/51/14/55/860511455.db2.gz DHOVPSOUQZUZCJ-HNNXBMFYSA-N 1 0 394.342 3.885 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624966382 860533086 /nfs/dbraw/zinc/53/30/86/860533086.db2.gz QUAHTBZLHUFXEZ-UHFFFAOYSA-N 1 0 399.539 3.504 20 30 GHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000155571818 860546974 /nfs/dbraw/zinc/54/69/74/860546974.db2.gz BGCIAXHBKSNUKV-SFHVURJKSA-N 1 0 394.482 3.598 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000624982223 860613382 /nfs/dbraw/zinc/61/33/82/860613382.db2.gz MEMUJVZGOMAFJB-TZIWHRDSSA-N 1 0 395.551 3.807 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3csc(C(F)(F)F)c3)C2=O)cc1 ZINC000598972283 860707413 /nfs/dbraw/zinc/70/74/13/860707413.db2.gz OVPPYMHJYLVPSK-HNNXBMFYSA-N 1 0 379.407 3.924 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCC[C@H](C)C1 ZINC000494324047 881579677 /nfs/dbraw/zinc/57/96/77/881579677.db2.gz AACRIZIVAOEWIT-DLBZAZTESA-N 1 0 381.476 3.580 20 30 GHEDRO C/C=C/C[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000599093871 860792474 /nfs/dbraw/zinc/79/24/74/860792474.db2.gz XJWGMUQLTFKXIU-LSTKMXGYSA-N 1 0 380.536 3.910 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000599088297 860803835 /nfs/dbraw/zinc/80/38/35/860803835.db2.gz PTYZWSMQSYLTAH-UHFFFAOYSA-N 1 0 376.504 3.845 20 30 GHEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000125939452 860839577 /nfs/dbraw/zinc/83/95/77/860839577.db2.gz DLYONXBVADBBBQ-UHFFFAOYSA-N 1 0 381.451 3.817 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000730116489 860881194 /nfs/dbraw/zinc/88/11/94/860881194.db2.gz QIILMHLAROZKRC-UHFFFAOYSA-N 1 0 380.536 3.586 20 30 GHEDRO Cc1ccccc1CO[C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000600081078 860918874 /nfs/dbraw/zinc/91/88/74/860918874.db2.gz JCGVCVNRNUAFMS-IBGZPJMESA-N 1 0 391.515 3.553 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000170911892 860970372 /nfs/dbraw/zinc/97/03/72/860970372.db2.gz SULYHIYGEZLQSY-UHFFFAOYSA-N 1 0 380.423 3.626 20 30 GHEDRO COc1ncc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1Cl ZINC000593719275 860978918 /nfs/dbraw/zinc/97/89/18/860978918.db2.gz AWOFBJIZGKUNJN-HNNXBMFYSA-N 1 0 384.911 3.930 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000603663775 861018222 /nfs/dbraw/zinc/01/82/22/861018222.db2.gz KFMCFUXQZKVCNH-RTBURBONSA-N 1 0 391.515 3.874 20 30 GHEDRO COCc1ccccc1/C=C(/C)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000509098708 861034871 /nfs/dbraw/zinc/03/48/71/861034871.db2.gz VCXHVXYWBDKGCO-YCFVMORTSA-N 1 0 387.483 3.582 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000593724286 861044318 /nfs/dbraw/zinc/04/43/18/861044318.db2.gz CNKMXMBATRZAIK-SFHVURJKSA-N 1 0 390.531 3.575 20 30 GHEDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c2ccc(F)cc2)cc1 ZINC000599328529 861068233 /nfs/dbraw/zinc/06/82/33/861068233.db2.gz ZMHIYJYYKRSIQO-UNMCSNQZSA-N 1 0 398.478 3.585 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000599344545 861079078 /nfs/dbraw/zinc/07/90/78/861079078.db2.gz FOHQMVNBPCBAOZ-LJQANCHMSA-N 1 0 396.453 3.956 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1OC ZINC000623450224 861079464 /nfs/dbraw/zinc/07/94/64/861079464.db2.gz YXXLVSJXCOTMSA-QGZVFWFLSA-N 1 0 392.927 3.794 20 30 GHEDRO CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000329181117 861112887 /nfs/dbraw/zinc/11/28/87/861112887.db2.gz OCQOFSGBVOJDIU-ZWKOTPCHSA-N 1 0 397.441 3.637 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)COc3ccccc3C#N)c(C)c2c1 ZINC000599358096 861121247 /nfs/dbraw/zinc/12/12/47/861121247.db2.gz DGARAKFXLPNYBL-DOTOQJQBSA-N 1 0 380.444 3.712 20 30 GHEDRO CC(C)c1ccc(SCC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000329199599 861128793 /nfs/dbraw/zinc/12/87/93/861128793.db2.gz VXLGKRFEFNJBMC-IBGZPJMESA-N 1 0 389.565 3.554 20 30 GHEDRO CC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cc(F)cc(Br)c1 ZINC000599382761 861146174 /nfs/dbraw/zinc/14/61/74/861146174.db2.gz YZIUOXTZTCWNQE-IAGOWNOFSA-N 1 0 399.304 3.700 20 30 GHEDRO C=CCNC(=O)[C@@H](C)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000111278877 861147315 /nfs/dbraw/zinc/14/73/15/861147315.db2.gz OHFSNJDFXURFPK-OAHLLOKOSA-N 1 0 396.466 3.519 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cc1OC ZINC000623526566 861158271 /nfs/dbraw/zinc/15/82/71/861158271.db2.gz HFNKUHJEXNNSER-YQVWRLOYSA-N 1 0 392.927 3.650 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(OC)c(OC)c1 ZINC000161692787 861170655 /nfs/dbraw/zinc/17/06/55/861170655.db2.gz XHCVCSAOCCDEJY-LJQANCHMSA-N 1 0 380.492 3.680 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4ccc(F)c(F)c4)CC3)C2=O)cc1 ZINC000609194778 881621061 /nfs/dbraw/zinc/62/10/61/881621061.db2.gz IWEBMLHKFYPHSK-NRFANRHFSA-N 1 0 381.426 3.821 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)/C=C/c2ccccc2C#N)CCOCC1)c1ccccc1 ZINC000172062128 863164372 /nfs/dbraw/zinc/16/43/72/863164372.db2.gz QHNXEOKDGYKSBE-TZZQJPOUSA-N 1 0 389.499 3.588 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000733852382 863218954 /nfs/dbraw/zinc/21/89/54/863218954.db2.gz XDJZEAZMEJONSA-HXUWFJFHSA-N 1 0 386.540 3.629 20 30 GHEDRO CC(=O)N[C@H](C)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000482508905 863237181 /nfs/dbraw/zinc/23/71/81/863237181.db2.gz KDCFYMCQGBSJEN-GOSISDBHSA-N 1 0 391.515 3.874 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282657628 863272047 /nfs/dbraw/zinc/27/20/47/863272047.db2.gz QYZJAAJQHYKNHQ-INIZCTEOSA-N 1 0 387.503 3.710 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522835497 863518877 /nfs/dbraw/zinc/51/88/77/863518877.db2.gz JJUBKKQZKYEHKK-JOCHJYFZSA-N 1 0 376.504 3.604 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(OC2CCCC2)CC1)C(C)C ZINC000522845889 863556658 /nfs/dbraw/zinc/55/66/58/863556658.db2.gz JMNJUJKRBSXVRY-OAQYLSRUSA-N 1 0 377.573 3.818 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000896912731 863736601 /nfs/dbraw/zinc/73/66/01/863736601.db2.gz DUFPVJFHCPBUCK-NJNPRVFISA-N 1 0 391.556 3.855 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@H](O)CO[C@@H]3CCCc4ccccc43)CCC2)cc1 ZINC000594033199 863805194 /nfs/dbraw/zinc/80/51/94/863805194.db2.gz XSJDIXJSBLMTHI-JTHBVZDNSA-N 1 0 376.500 3.982 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000554207925 863857652 /nfs/dbraw/zinc/85/76/52/863857652.db2.gz FOTSTVGWPXDKGA-UHFFFAOYSA-N 1 0 399.539 3.953 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000554213344 863901124 /nfs/dbraw/zinc/90/11/24/863901124.db2.gz BLLCEHYIGBEPEG-QFIPXVFZSA-N 1 0 397.567 3.725 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000554213343 863901151 /nfs/dbraw/zinc/90/11/51/863901151.db2.gz BLLCEHYIGBEPEG-JOCHJYFZSA-N 1 0 397.567 3.725 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000733997193 863934140 /nfs/dbraw/zinc/93/41/40/863934140.db2.gz SUSZIFKQQQDAEN-SFHVURJKSA-N 1 0 398.576 3.916 20 30 GHEDRO CCOC(=O)C1(C)CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000475088598 864135528 /nfs/dbraw/zinc/13/55/28/864135528.db2.gz GEJQLIOJQMVDQB-UHFFFAOYSA-N 1 0 385.508 3.745 20 30 GHEDRO [NH2+]=C(NCC1(c2cccc(Cl)c2)CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000262431213 864289414 /nfs/dbraw/zinc/28/94/14/864289414.db2.gz BQWRXVHRZAXYCK-LJQANCHMSA-N 1 0 399.922 3.816 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccncc1 ZINC000734654484 864370852 /nfs/dbraw/zinc/37/08/52/864370852.db2.gz WJTFCYSRRCGZPC-NHCUHLMSSA-N 1 0 394.519 3.844 20 30 GHEDRO C[C@H]1CN(Cc2cccc(CNC(=O)C[C@@H](CC#N)c3ccccc3)c2)CCO1 ZINC000475166904 864376309 /nfs/dbraw/zinc/37/63/09/864376309.db2.gz YALDEJNWEXTRKC-WMZHIEFXSA-N 1 0 391.515 3.611 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000734663712 864390198 /nfs/dbraw/zinc/39/01/98/864390198.db2.gz BNNLDTNEHCFMPL-UNMCSNQZSA-N 1 0 378.520 3.910 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(-c3ccccc3Cl)ns2)CC1 ZINC000184364136 864392992 /nfs/dbraw/zinc/39/29/92/864392992.db2.gz GBDLURSTVMTYDN-UHFFFAOYSA-N 1 0 377.901 3.630 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000249067086 864420516 /nfs/dbraw/zinc/42/05/16/864420516.db2.gz JHTHEDTXOZDTDW-XLIONFOSSA-N 1 0 379.529 3.851 20 30 GHEDRO N#CCC[C@@H](C#N)CNCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000554552346 864517405 /nfs/dbraw/zinc/51/74/05/864517405.db2.gz UJOKRVMRIBTXLG-NRFANRHFSA-N 1 0 387.531 3.542 20 30 GHEDRO Cc1ccc(F)c(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000734977507 864572365 /nfs/dbraw/zinc/57/23/65/864572365.db2.gz VVKVAOSJDJUYIM-UHFFFAOYSA-N 1 0 384.524 3.597 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000475260678 864644673 /nfs/dbraw/zinc/64/46/73/864644673.db2.gz BEBMOGROLYLYKT-GOSISDBHSA-N 1 0 385.552 3.667 20 30 GHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310008 864734822 /nfs/dbraw/zinc/73/48/22/864734822.db2.gz OLBUWBJSFPRFQV-HOTGVXAUSA-N 1 0 377.916 3.759 20 30 GHEDRO C[C@@H](CC1CCOCC1)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475340737 864815876 /nfs/dbraw/zinc/81/58/76/864815876.db2.gz YGISAOQFQYHQTK-LAUBAEHRSA-N 1 0 375.944 3.975 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000173598408 864893938 /nfs/dbraw/zinc/89/39/38/864893938.db2.gz GSKBJHLIESVCRM-HXUWFJFHSA-N 1 0 378.520 3.770 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000608061418 864955339 /nfs/dbraw/zinc/95/53/39/864955339.db2.gz AFSCVECIPOBIMN-UKRRQHHQSA-N 1 0 383.330 3.595 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H](O)c1ccc(C)cc1 ZINC000173832796 865095066 /nfs/dbraw/zinc/09/50/66/865095066.db2.gz OFHQDJCULMSMLI-LJQANCHMSA-N 1 0 397.544 3.801 20 30 GHEDRO N#CC[C@@H](CC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)c1ccccc1 ZINC000899047763 865180494 /nfs/dbraw/zinc/18/04/94/865180494.db2.gz UWJRIZZVQXXGNU-HNNXBMFYSA-N 1 0 381.867 3.737 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301186225 865213001 /nfs/dbraw/zinc/21/30/01/865213001.db2.gz SKLUUHYHBOXWFO-UHFFFAOYSA-N 1 0 388.346 3.974 20 30 GHEDRO NC(=[NH+]OCc1cccc(C(F)(F)F)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174125824 865434821 /nfs/dbraw/zinc/43/48/21/865434821.db2.gz SXRCUZKRRLFRHX-UHFFFAOYSA-N 1 0 393.409 3.504 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000594230850 865487944 /nfs/dbraw/zinc/48/79/44/865487944.db2.gz SYJIZGZPQFSFOM-IBGZPJMESA-N 1 0 390.531 3.513 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCCCC[C@H]2C)c1=S ZINC000738227440 865505997 /nfs/dbraw/zinc/50/59/97/865505997.db2.gz UCFMAHPFXJVXSP-GOSISDBHSA-N 1 0 377.602 3.850 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)C2 ZINC000594245278 865579192 /nfs/dbraw/zinc/57/91/92/865579192.db2.gz SBUMOWAOSMEJQD-NRFANRHFSA-N 1 0 388.515 3.886 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172582702 865631750 /nfs/dbraw/zinc/63/17/50/865631750.db2.gz MIMXSNHKHCTESR-GOSISDBHSA-N 1 0 375.582 3.602 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)o1 ZINC000608777668 865684715 /nfs/dbraw/zinc/68/47/15/865684715.db2.gz PWTPSKGWEMEEIE-INIZCTEOSA-N 1 0 390.281 3.879 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508479686 865705848 /nfs/dbraw/zinc/70/58/48/865705848.db2.gz ZSAPZZRCGYJDGZ-KRWDZBQOSA-N 1 0 399.514 3.808 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000594293272 865722275 /nfs/dbraw/zinc/72/22/75/865722275.db2.gz FWVZVRODXJGYLZ-HNNXBMFYSA-N 1 0 385.895 3.969 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555238236 865739384 /nfs/dbraw/zinc/73/93/84/865739384.db2.gz IHPHCJJZNDXMHO-SFHVURJKSA-N 1 0 381.524 3.594 20 30 GHEDRO CCN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000608877199 865784167 /nfs/dbraw/zinc/78/41/67/865784167.db2.gz RUAMMSVREGWQFR-AVRDEDQJSA-N 1 0 376.504 3.654 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000739857234 865803045 /nfs/dbraw/zinc/80/30/45/865803045.db2.gz KSQPEQGDCGOEGR-NQIIRXRSSA-N 1 0 392.551 3.669 20 30 GHEDRO C#CC[N@@H+](CCCCC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000739914339 865827687 /nfs/dbraw/zinc/82/76/87/865827687.db2.gz HKUUEODPBOKAPB-KRWDZBQOSA-N 1 0 394.309 3.941 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000174468858 865828085 /nfs/dbraw/zinc/82/80/85/865828085.db2.gz LNDAPXSPNUPYIN-KXBFYZLASA-N 1 0 383.879 3.916 20 30 GHEDRO CCCc1c(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000440080954 865884969 /nfs/dbraw/zinc/88/49/69/865884969.db2.gz ZXZNZZYNCGCCSA-BBWFWOEESA-N 1 0 379.508 3.896 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000494567458 881922531 /nfs/dbraw/zinc/92/25/31/881922531.db2.gz SYECTHMFJJBUFH-QHCPKHFHSA-N 1 0 380.532 3.756 20 30 GHEDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000456004218 865978572 /nfs/dbraw/zinc/97/85/72/865978572.db2.gz AIUIDSJLOIDCDX-JOCHJYFZSA-N 1 0 390.531 3.502 20 30 GHEDRO N#CCCn1cc(C(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000072718973 865980383 /nfs/dbraw/zinc/98/03/83/865980383.db2.gz RJLAFEHUCSOGNI-LJQANCHMSA-N 1 0 378.520 3.545 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000740748522 865993536 /nfs/dbraw/zinc/99/35/36/865993536.db2.gz MVNMRIVOCMRQFB-UHFFFAOYSA-N 1 0 383.319 3.756 20 30 GHEDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)n1 ZINC000897298782 866022681 /nfs/dbraw/zinc/02/26/81/866022681.db2.gz JDRCKPNDOFMJLQ-KRWDZBQOSA-N 1 0 392.532 3.688 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)/C=C/c3ccccc3C#N)CC[N@@H+]2C)cc1 ZINC000741120855 866241918 /nfs/dbraw/zinc/24/19/18/866241918.db2.gz NCLBONKIXBIZQO-IEMVCSSISA-N 1 0 376.456 3.816 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)c2ccc(C)o2)cc1OC ZINC000741263331 866361350 /nfs/dbraw/zinc/36/13/50/866361350.db2.gz YOQDJRSOWAUTPA-OAHLLOKOSA-N 1 0 396.281 3.747 20 30 GHEDRO C[C@H]1CN(C(=O)[C@@H](C#N)CCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456316504 866418646 /nfs/dbraw/zinc/41/86/46/866418646.db2.gz AHRGMLQPGACOHJ-NFBKMPQASA-N 1 0 375.516 3.739 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)n2c1 ZINC000174621452 866451557 /nfs/dbraw/zinc/45/15/57/866451557.db2.gz IQTPEHSNOKDSTE-MRXNPFEDSA-N 1 0 397.429 3.566 20 30 GHEDRO [NH2+]=C(NCC#Cc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000262552013 866751709 /nfs/dbraw/zinc/75/17/09/866751709.db2.gz YZBLVJBXIWJCRD-UHFFFAOYSA-N 1 0 389.377 3.645 20 30 GHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508831676 866775024 /nfs/dbraw/zinc/77/50/24/866775024.db2.gz FZJQDYAAVMHDHL-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H]1CCCC[C@H]1C ZINC000444681189 867057813 /nfs/dbraw/zinc/05/78/13/867057813.db2.gz YSOOZGWORFKIQC-UZLBHIALSA-N 1 0 388.556 3.852 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1)C[C@@H]1CCCCO1 ZINC000476566230 882043631 /nfs/dbraw/zinc/04/36/31/882043631.db2.gz WFCBFMWGFBNQOP-QFIPXVFZSA-N 1 0 392.503 3.985 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1OC ZINC000153829308 867101420 /nfs/dbraw/zinc/10/14/20/867101420.db2.gz NZKRLTCMRVEVNH-YLJYHZDGSA-N 1 0 384.520 3.521 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282085568 867128226 /nfs/dbraw/zinc/12/82/26/867128226.db2.gz OHEXKTMHTGZLFK-QFBILLFUSA-N 1 0 387.549 3.958 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)CC1 ZINC000534626840 867128545 /nfs/dbraw/zinc/12/85/45/867128545.db2.gz NDXNRZQKZGMXQG-UHFFFAOYSA-N 1 0 397.563 3.741 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1OC ZINC000189967903 882054129 /nfs/dbraw/zinc/05/41/29/882054129.db2.gz TULQRQFNIGJXPI-GDBMZVCRSA-N 1 0 384.314 3.663 20 30 GHEDRO C=CC[C@@H]1[N@H+](CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CCCC1(C)C ZINC000444772833 867210700 /nfs/dbraw/zinc/21/07/00/867210700.db2.gz BMCOZHRGSJWELP-IBGZPJMESA-N 1 0 385.552 3.733 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](C)Oc2ccc(Br)cc2)cc1C#N ZINC000742388171 867252355 /nfs/dbraw/zinc/25/23/55/867252355.db2.gz MNHDSWLHXDZYGE-ZDUSSCGKSA-N 1 0 375.266 3.886 20 30 GHEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000154213297 867302851 /nfs/dbraw/zinc/30/28/51/867302851.db2.gz BUMIZFLHZQCHGF-KRWDZBQOSA-N 1 0 383.467 3.992 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(CC)[C@@H](C)C(C)C)c1=S ZINC000742549971 867365687 /nfs/dbraw/zinc/36/56/87/867365687.db2.gz ITSULXBYTWKXLQ-SFHVURJKSA-N 1 0 379.618 3.952 20 30 GHEDRO N#C[C@@H](COC(=O)c1ccc2c[nH+]cn2c1)Cc1ccccc1Br ZINC000793301398 882082012 /nfs/dbraw/zinc/08/20/12/882082012.db2.gz BHRTTYFZDDYJQP-ZDUSSCGKSA-N 1 0 384.233 3.636 20 30 GHEDRO N#C[C@H](COC(=O)c1ccc2c[nH+]cn2c1)Cc1cccc(Br)c1 ZINC000793304308 882084769 /nfs/dbraw/zinc/08/47/69/882084769.db2.gz JWBXEDGNKUPLKN-CQSZACIVSA-N 1 0 384.233 3.636 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000479284753 867483684 /nfs/dbraw/zinc/48/36/84/867483684.db2.gz MTFTYQCROWXFTN-MOPGFXCFSA-N 1 0 375.561 3.815 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3Oc3ccccc3C#N)CC[C@H]21 ZINC000245560567 867515928 /nfs/dbraw/zinc/51/59/28/867515928.db2.gz WQXXVEILSNFSDZ-UYAOXDASSA-N 1 0 375.472 3.907 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC000793343484 882092195 /nfs/dbraw/zinc/09/21/95/882092195.db2.gz MXFQCUKCQDVMRV-WZONZLPQSA-N 1 0 393.487 3.868 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000857233623 882132826 /nfs/dbraw/zinc/13/28/26/882132826.db2.gz FJERDDGOQGBAAJ-CRAIPNDOSA-N 1 0 375.513 3.663 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000743201091 867952513 /nfs/dbraw/zinc/95/25/13/867952513.db2.gz FAZFGYZSXYSVKS-SFHVURJKSA-N 1 0 385.439 3.698 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)C2)nc1 ZINC000428777250 867975831 /nfs/dbraw/zinc/97/58/31/867975831.db2.gz DVYOIFWIHCSRMK-JOCHJYFZSA-N 1 0 386.455 3.581 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@H](C[N@@H+](C)CC)C2)c1=S ZINC000743399743 868162906 /nfs/dbraw/zinc/16/29/06/868162906.db2.gz XCRRLUHNFFPIFD-MRXNPFEDSA-N 1 0 389.544 3.637 20 30 GHEDRO C[C@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000743405813 868183592 /nfs/dbraw/zinc/18/35/92/868183592.db2.gz OFEXKZVSJQFFEO-FQEVSTJZSA-N 1 0 385.515 3.976 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2cccc(OCc3cccc(C)c3)c2)CC1 ZINC000743488957 868236340 /nfs/dbraw/zinc/23/63/40/868236340.db2.gz BBSGXCOMZSCHDG-UHFFFAOYSA-N 1 0 390.527 3.720 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000743492947 868237271 /nfs/dbraw/zinc/23/72/71/868237271.db2.gz CBZKGHJYKLUJSX-CQSZACIVSA-N 1 0 395.366 3.534 20 30 GHEDRO CC(C)([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1CCCC1 ZINC000793393960 882169580 /nfs/dbraw/zinc/16/95/80/882169580.db2.gz GQRQNEJLDJJNAD-UHFFFAOYSA-N 1 0 377.488 3.628 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743872028 868470025 /nfs/dbraw/zinc/47/00/25/868470025.db2.gz OQNOTWFWPMXVEJ-CQSZACIVSA-N 1 0 383.330 3.790 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669807479 868510817 /nfs/dbraw/zinc/51/08/17/868510817.db2.gz DRBOCSJVIHIPSW-HXUWFJFHSA-N 1 0 393.560 3.827 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](c2ccccc2F)C1)C(C)C ZINC000524178819 868662415 /nfs/dbraw/zinc/66/24/15/868662415.db2.gz WOZJOKLZDIPWJG-NHCUHLMSSA-N 1 0 389.515 3.607 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000744211613 868667498 /nfs/dbraw/zinc/66/74/98/868667498.db2.gz XKRHNLHIQLHXHE-UHFFFAOYSA-N 1 0 376.456 3.982 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000609077915 868861105 /nfs/dbraw/zinc/86/11/05/868861105.db2.gz LPPPWFNTSSGZQT-UHFFFAOYSA-N 1 0 393.487 3.678 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000158432086 868947678 /nfs/dbraw/zinc/94/76/78/868947678.db2.gz BSELNMJPLQGXAS-UHFFFAOYSA-N 1 0 389.478 3.925 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000609082894 868962865 /nfs/dbraw/zinc/96/28/65/868962865.db2.gz CIWHTEKFJAUZID-MCIONIFRSA-N 1 0 380.439 3.648 20 30 GHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000609082895 868963140 /nfs/dbraw/zinc/96/31/40/868963140.db2.gz CIWHTEKFJAUZID-MGPQQGTHSA-N 1 0 380.439 3.648 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000539495497 869218698 /nfs/dbraw/zinc/21/86/98/869218698.db2.gz UIUFGQJHSZRQCN-YOEHRIQHSA-N 1 0 378.394 3.959 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000539607080 869434906 /nfs/dbraw/zinc/43/49/06/869434906.db2.gz YJXDZRNEALKNFI-DOMZBBRYSA-N 1 0 393.256 3.550 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)nc1 ZINC000428792441 869545790 /nfs/dbraw/zinc/54/57/90/869545790.db2.gz WMBZVAUKMRCRAA-JOCHJYFZSA-N 1 0 398.466 3.859 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000609100505 869552994 /nfs/dbraw/zinc/55/29/94/869552994.db2.gz TXZZTLXKBISNDE-XZOQPEGZSA-N 1 0 390.531 3.509 20 30 GHEDRO C=CC[N@@H+](CCC(=O)c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539714789 869657075 /nfs/dbraw/zinc/65/70/75/869657075.db2.gz MKZPRZDHIMZGDS-INIZCTEOSA-N 1 0 379.439 3.623 20 30 GHEDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000524884464 869729351 /nfs/dbraw/zinc/72/93/51/869729351.db2.gz ICYBRVQSPARXGF-IFMALSPDSA-N 1 0 398.528 3.583 20 30 GHEDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000524884467 869729485 /nfs/dbraw/zinc/72/94/85/869729485.db2.gz ICYBRVQSPARXGF-UNMCSNQZSA-N 1 0 398.528 3.583 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[NH+](C3CCC3)CC2)cc1OC ZINC000539839528 869856864 /nfs/dbraw/zinc/85/68/64/869856864.db2.gz HLYRQIJKDZOZAJ-UHFFFAOYSA-N 1 0 395.341 3.693 20 30 GHEDRO COC(=O)[C@@H](C)C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000508627589 882348831 /nfs/dbraw/zinc/34/88/31/882348831.db2.gz BCPQSKRPJLDZTE-KRWDZBQOSA-N 1 0 378.472 3.911 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC000745946859 869898864 /nfs/dbraw/zinc/89/88/64/869898864.db2.gz ZEQXFWDXHUEZQH-SFHVURJKSA-N 1 0 395.588 3.769 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cscc1Br ZINC000508567465 869944602 /nfs/dbraw/zinc/94/46/02/869944602.db2.gz HRQKNDOTBOJOLC-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)c1 ZINC000920762760 882366599 /nfs/dbraw/zinc/36/65/99/882366599.db2.gz XQWXGYIEJGVONF-LJQANCHMSA-N 1 0 398.304 3.966 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCC1 ZINC000446615464 870097602 /nfs/dbraw/zinc/09/76/02/870097602.db2.gz OADGMSNSPORNBS-UHFFFAOYSA-N 1 0 394.494 3.893 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000462850985 870202605 /nfs/dbraw/zinc/20/26/05/870202605.db2.gz HCRZFJOZQGTHJZ-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000092533650 882385077 /nfs/dbraw/zinc/38/50/77/882385077.db2.gz GNFYRGJSUBNHTB-SFHVURJKSA-N 1 0 389.499 3.779 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540058323 870329510 /nfs/dbraw/zinc/32/95/10/870329510.db2.gz ZEDNWPXQFLDWMC-MRXNPFEDSA-N 1 0 377.366 3.504 20 30 GHEDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000525328751 870368027 /nfs/dbraw/zinc/36/80/27/870368027.db2.gz LLKGZDLZRBYVTD-OXQOHEQNSA-N 1 0 388.556 3.852 20 30 GHEDRO C=CCN1CC[C@H]([N@H+]2CCN(c3cccc(C(F)(F)F)c3)C[C@@H]2CCC)C1=O ZINC001192537579 870498638 /nfs/dbraw/zinc/49/86/38/870498638.db2.gz UTTOMOUUNGGJNM-OALUTQOASA-N 1 0 395.469 3.783 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248740183 870616351 /nfs/dbraw/zinc/61/63/51/870616351.db2.gz RKPYNMRZALHYTE-VGSWGCGISA-N 1 0 382.529 3.783 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2n[nH]cc2c1 ZINC000552024631 870621364 /nfs/dbraw/zinc/62/13/64/870621364.db2.gz SFUOLPUXQMVNIB-NEPJUHHUSA-N 1 0 379.489 3.663 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1 ZINC001192709190 870634273 /nfs/dbraw/zinc/63/42/73/870634273.db2.gz LARWGGWJWSSTMB-NRFANRHFSA-N 1 0 383.561 3.689 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000538810680 870674643 /nfs/dbraw/zinc/67/46/43/870674643.db2.gz YQAYWQAPZFXGJD-FGZHOGPDSA-N 1 0 380.513 3.844 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]CCOc1cccc(C#N)c1 ZINC000538810873 870677465 /nfs/dbraw/zinc/67/74/65/870677465.db2.gz KBHVAADFKKZUQB-UHFFFAOYSA-N 1 0 390.281 3.542 20 30 GHEDRO Cc1ncn(-c2c(Cl)nc(Cl)c(C#N)c2Cl)c1CSCC[NH3+] ZINC001168785955 870746837 /nfs/dbraw/zinc/74/68/37/870746837.db2.gz FZPXPUNUXPJWSH-UHFFFAOYSA-N 1 0 376.700 3.600 20 30 GHEDRO COc1cccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC001192899304 870755565 /nfs/dbraw/zinc/75/55/65/870755565.db2.gz TWSMRJZIGNNSCW-KRWDZBQOSA-N 1 0 392.503 3.592 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508869112 870882014 /nfs/dbraw/zinc/88/20/14/870882014.db2.gz GZKSPLVJTJADNP-LAUBAEHRSA-N 1 0 396.491 3.984 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168831612 870887313 /nfs/dbraw/zinc/88/73/13/870887313.db2.gz WNWJNXONXDWXKE-LAUBAEHRSA-N 1 0 398.551 3.510 20 30 GHEDRO C[C@H](CCc1cccc(F)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000463126117 870937458 /nfs/dbraw/zinc/93/74/58/870937458.db2.gz YFJBFVOSSNLGJR-GOSISDBHSA-N 1 0 381.495 3.856 20 30 GHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000181388408 870959156 /nfs/dbraw/zinc/95/91/56/870959156.db2.gz XIHDZOIWGIXXRV-UHFFFAOYSA-N 1 0 375.472 3.955 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181408372 870979805 /nfs/dbraw/zinc/97/98/05/870979805.db2.gz GJLHROBTECGRSU-QGZVFWFLSA-N 1 0 377.488 3.645 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)CC1 ZINC000525569555 870986926 /nfs/dbraw/zinc/98/69/26/870986926.db2.gz IPEOKXIFSVXBKI-UHFFFAOYSA-N 1 0 382.508 3.705 20 30 GHEDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Cl)c(C#N)c3)CC2=O)cc1 ZINC001168913962 871003592 /nfs/dbraw/zinc/00/35/92/871003592.db2.gz CBMKFMSUGLGYRY-SFHVURJKSA-N 1 0 383.879 3.501 20 30 GHEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1 ZINC000540341794 871066631 /nfs/dbraw/zinc/06/66/31/871066631.db2.gz WBPFTZVAQYLLKY-QHCPKHFHSA-N 1 0 377.532 3.959 20 30 GHEDRO N#Cc1cc(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1F ZINC000540406065 871193211 /nfs/dbraw/zinc/19/32/11/871193211.db2.gz RYJYASIPOGGZMV-UHFFFAOYSA-N 1 0 396.466 3.536 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000540424923 871251549 /nfs/dbraw/zinc/25/15/49/871251549.db2.gz HXVSTTUNBNLJJI-GOSISDBHSA-N 1 0 380.414 3.648 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cc(C#N)ccc2F)CC1 ZINC000181626184 871293984 /nfs/dbraw/zinc/29/39/84/871293984.db2.gz ZGAXUAOSRJTFTR-INIZCTEOSA-N 1 0 384.474 3.829 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC001193840274 871308490 /nfs/dbraw/zinc/30/84/90/871308490.db2.gz YARLNZYKQWGMNQ-SJORKVTESA-N 1 0 384.785 3.587 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1cccnc1 ZINC000181666345 871362282 /nfs/dbraw/zinc/36/22/82/871362282.db2.gz PTWKZSRBOBUBBF-KRWDZBQOSA-N 1 0 399.498 3.912 20 30 GHEDRO CCC[N@H+](Cc1cccc(C#N)c1F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000539195334 871483742 /nfs/dbraw/zinc/48/37/42/871483742.db2.gz ZQYUGZJPLHIKFP-UHFFFAOYSA-N 1 0 381.499 3.985 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000540597265 871662075 /nfs/dbraw/zinc/66/20/75/871662075.db2.gz NDNJUGXYBNVUDT-ZWKOTPCHSA-N 1 0 397.544 3.830 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC001169643732 871742584 /nfs/dbraw/zinc/74/25/84/871742584.db2.gz IDYFVPFTGAGJJU-QFIPXVFZSA-N 1 0 382.891 3.641 20 30 GHEDRO C=CCOc1cccnc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539357424 871752634 /nfs/dbraw/zinc/75/26/34/871752634.db2.gz ZPKIHGRVLVKWRY-ICSRJNTNSA-N 1 0 379.504 3.772 20 30 GHEDRO C=CCOc1cccnc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539357425 871753251 /nfs/dbraw/zinc/75/32/51/871753251.db2.gz ZPKIHGRVLVKWRY-QUCCMNQESA-N 1 0 379.504 3.772 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618667757 871815922 /nfs/dbraw/zinc/81/59/22/871815922.db2.gz HXELOXRXCOGTBK-FQEVSTJZSA-N 1 0 389.503 3.509 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000776980966 882551611 /nfs/dbraw/zinc/55/16/11/882551611.db2.gz NDDZGGDWGFIVGC-VWLOTQADSA-N 1 0 387.527 3.810 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC001170442447 882554745 /nfs/dbraw/zinc/55/47/45/882554745.db2.gz DNMRJYHMQSMAHZ-AEFFLSMTSA-N 1 0 385.533 3.997 20 30 GHEDRO COc1cc2c(cc1C[NH+]1CCC(Oc3ccc(C#N)cc3)CC1)O[C@H](C)C2 ZINC000525998691 871869093 /nfs/dbraw/zinc/86/90/93/871869093.db2.gz PKBVCQUSVJFPAB-MRXNPFEDSA-N 1 0 378.472 3.934 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccccc1CC ZINC000022686498 871908349 /nfs/dbraw/zinc/90/83/49/871908349.db2.gz IWSSAVMPGNCMDK-UHFFFAOYSA-O 1 0 392.342 3.847 20 30 GHEDRO CC1(C)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCOC2)O1 ZINC000526002258 871925639 /nfs/dbraw/zinc/92/56/39/871925639.db2.gz YCWYQENYIDOOBK-DEOSSOPVSA-N 1 0 392.499 3.907 20 30 GHEDRO C=C(Br)CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000921075410 882562408 /nfs/dbraw/zinc/56/24/08/882562408.db2.gz SXSIYSKSTOZUNC-AWEZNQCLSA-N 1 0 380.330 3.626 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000552057158 871949829 /nfs/dbraw/zinc/94/98/29/871949829.db2.gz HDWAISISAQBOPV-AKIFATBCSA-N 1 0 391.515 3.874 20 30 GHEDRO C[NH+]1C(C)(C)CC(NC(=O)c2ccc(C#CBr)cc2)CC1(C)C ZINC001194816997 871969642 /nfs/dbraw/zinc/96/96/42/871969642.db2.gz BBQYAHQFEIWCFJ-UHFFFAOYSA-N 1 0 377.326 3.772 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000618809397 872016475 /nfs/dbraw/zinc/01/64/75/872016475.db2.gz MHDOUBPKMWWUIV-NRFANRHFSA-N 1 0 394.544 3.818 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccs1 ZINC000429724274 872017380 /nfs/dbraw/zinc/01/73/80/872017380.db2.gz OWGAZPJWSFUBEP-GOSISDBHSA-N 1 0 393.516 3.558 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000618808865 872017752 /nfs/dbraw/zinc/01/77/52/872017752.db2.gz YTKFZEJPNKFYSY-OFNKIYASSA-N 1 0 388.515 3.757 20 30 GHEDRO C[C@]1(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000618828188 872033466 /nfs/dbraw/zinc/03/34/66/872033466.db2.gz AQYNLXWMFDPQRY-LADGPHEKSA-N 1 0 388.515 3.899 20 30 GHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000477861935 872036516 /nfs/dbraw/zinc/03/65/16/872036516.db2.gz QNBXNMDCIFEQTR-MOPGFXCFSA-N 1 0 389.927 3.866 20 30 GHEDRO CN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000618841222 872053249 /nfs/dbraw/zinc/05/32/49/872053249.db2.gz SNCWHBZUKWMCQH-HSZRJFAPSA-N 1 0 388.515 3.852 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000618843456 872055655 /nfs/dbraw/zinc/05/56/55/872055655.db2.gz XJFBVPBWLHNUIG-SIKLNZKXSA-N 1 0 380.536 3.843 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000093301858 872061070 /nfs/dbraw/zinc/06/10/70/872061070.db2.gz XINCPUNEUUQLOD-SFHVURJKSA-N 1 0 380.536 3.825 20 30 GHEDRO CCn1nc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000526085790 872077334 /nfs/dbraw/zinc/07/73/34/872077334.db2.gz AFTMTTFZXAXLKD-UHFFFAOYSA-N 1 0 375.476 3.803 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(-n2cncn2)cc1 ZINC000526107855 872136938 /nfs/dbraw/zinc/13/69/38/872136938.db2.gz FBKVOZQQTQMFCS-YLZJTPGZSA-N 1 0 388.475 3.575 20 30 GHEDRO CNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(N(C)C)cc1 ZINC000022733977 872144178 /nfs/dbraw/zinc/14/41/78/872144178.db2.gz CVEWUKNEMMYDBB-UHFFFAOYSA-O 1 0 383.324 3.505 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cccc(Br)c2)C(=S)NC)cc1 ZINC000022733873 872144474 /nfs/dbraw/zinc/14/44/74/872144474.db2.gz FYQAWHZCTBVMRM-UHFFFAOYSA-O 1 0 392.342 3.847 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@H]1CCCO1 ZINC000182335953 872223064 /nfs/dbraw/zinc/22/30/64/872223064.db2.gz QISNJPUCTZRHPB-WOJBJXKFSA-N 1 0 386.540 3.968 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)[NH+]1CCCC1 ZINC000540848671 872306753 /nfs/dbraw/zinc/30/67/53/872306753.db2.gz TVJFYGQAUFLNFI-LJQANCHMSA-N 1 0 383.879 3.787 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1Cl ZINC001195478033 872430025 /nfs/dbraw/zinc/43/00/25/872430025.db2.gz UJAQIMXODSDKTD-RTWAWAEBSA-N 1 0 397.906 3.608 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2cccc(C#N)c2)C1 ZINC000857882216 882613339 /nfs/dbraw/zinc/61/33/39/882613339.db2.gz HMSZOKOEKSUTJE-GOSISDBHSA-N 1 0 398.304 3.844 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121409265 872604065 /nfs/dbraw/zinc/60/40/65/872604065.db2.gz SLMJXIUTDQHNEP-CQSZACIVSA-N 1 0 387.461 3.609 20 30 GHEDRO COc1ccc(NC(=S)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001195717099 872605422 /nfs/dbraw/zinc/60/54/22/872605422.db2.gz ABFXEBQRVDVYCO-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO Cc1cc2ncc([C@H](C)[NH2+]C3CCC(Oc4ncccc4C#N)CC3)c(C)n2n1 ZINC000527100233 872655733 /nfs/dbraw/zinc/65/57/33/872655733.db2.gz WODGQWXPPYHBIQ-MNNVXMFVSA-N 1 0 390.491 3.654 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619478162 872673715 /nfs/dbraw/zinc/67/37/15/872673715.db2.gz LJGAIEIDVBNIGV-NQIIRXRSSA-N 1 0 397.544 3.599 20 30 GHEDRO COc1cc2c(NC3CCN(c4ccc(C#N)cn4)CC3)cc[nH+]c2cc1F ZINC000619479841 872676067 /nfs/dbraw/zinc/67/60/67/872676067.db2.gz WCGOFCJBEPFXGL-UHFFFAOYSA-N 1 0 377.423 3.730 20 30 GHEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccccc2CC#N)c2ccccc2)CC1 ZINC000619572734 872749112 /nfs/dbraw/zinc/74/91/12/872749112.db2.gz QZQXRBJIKOANDN-NRFANRHFSA-N 1 0 397.544 3.504 20 30 GHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000619581668 872769110 /nfs/dbraw/zinc/76/91/10/872769110.db2.gz NLIXBNGKRMWXTN-UHFFFAOYSA-N 1 0 399.454 3.866 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)c(OCc2cccnc2)c1 ZINC000767687656 872769958 /nfs/dbraw/zinc/76/99/58/872769958.db2.gz GRQBRTGWHRYYLK-UHFFFAOYSA-N 1 0 389.455 3.861 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541084501 872888160 /nfs/dbraw/zinc/88/81/60/872888160.db2.gz LTNSPEJJJSKBJM-HNNXBMFYSA-N 1 0 378.476 3.500 20 30 GHEDRO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000767924319 872942021 /nfs/dbraw/zinc/94/20/21/872942021.db2.gz YJNIGCXHEMLCNA-UHFFFAOYSA-N 1 0 395.503 3.544 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619743155 872948885 /nfs/dbraw/zinc/94/88/85/872948885.db2.gz ZDVSBWHZFAVTSE-QFIPXVFZSA-N 1 0 398.514 3.713 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000619760218 872973872 /nfs/dbraw/zinc/97/38/72/872973872.db2.gz BEANIAKKHIBYGY-NRFANRHFSA-N 1 0 396.922 3.921 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619780922 872995330 /nfs/dbraw/zinc/99/53/30/872995330.db2.gz KMXYCZJQHAHBMI-UHFFFAOYSA-N 1 0 385.895 3.862 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2ccsc2)c1C#N ZINC000619782518 872996911 /nfs/dbraw/zinc/99/69/11/872996911.db2.gz BAQDEUTTWJZYLJ-CQSZACIVSA-N 1 0 382.489 3.969 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619768276 873005903 /nfs/dbraw/zinc/00/59/03/873005903.db2.gz LANFRYPAELZWGC-LJQANCHMSA-N 1 0 396.922 3.875 20 30 GHEDRO Cc1cc(N2CCN(C(=S)Nc3ccccc3C#N)CC2)c2ccccc2[nH+]1 ZINC001196294289 873020875 /nfs/dbraw/zinc/02/08/75/873020875.db2.gz XAODDOFGRIIINU-UHFFFAOYSA-N 1 0 387.512 3.934 20 30 GHEDRO Cc1c(F)cccc1C[NH+]1CCC(NC(=S)Nc2ccccc2C#N)CC1 ZINC001196343812 873043912 /nfs/dbraw/zinc/04/39/12/873043912.db2.gz PUMMKIHPIZVBJR-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO CN(C(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619827024 873058681 /nfs/dbraw/zinc/05/86/81/873058681.db2.gz RAELFZSXOHYWCJ-LJQANCHMSA-N 1 0 382.895 3.628 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC001196479264 873125490 /nfs/dbraw/zinc/12/54/90/873125490.db2.gz LVKZHGCUADTJAT-HUVFLSCGSA-N 1 0 395.547 3.831 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000768251109 873191315 /nfs/dbraw/zinc/19/13/15/873191315.db2.gz ZNTUWZNHJGYQRK-MRXNPFEDSA-N 1 0 381.451 3.511 20 30 GHEDRO C[C@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000464134487 873288229 /nfs/dbraw/zinc/28/82/29/873288229.db2.gz JSXRPTBMVDUTBA-QRVBRYPASA-N 1 0 375.516 3.935 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000768539208 873371038 /nfs/dbraw/zinc/37/10/38/873371038.db2.gz SRLHALMEODSSSS-FQEVSTJZSA-N 1 0 377.488 3.643 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541326565 873375938 /nfs/dbraw/zinc/37/59/38/873375938.db2.gz UFJWHKSCHUWFIW-WBVHZDCISA-N 1 0 382.430 3.691 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000541328533 873378039 /nfs/dbraw/zinc/37/80/39/873378039.db2.gz HYMWHJUNQZDDCC-HXUWFJFHSA-N 1 0 391.519 3.984 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858015157 882724862 /nfs/dbraw/zinc/72/48/62/882724862.db2.gz WRMNZKHRNQZDOM-QFIPXVFZSA-N 1 0 376.504 3.962 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000023075455 873482806 /nfs/dbraw/zinc/48/28/06/873482806.db2.gz ULPZPRJOOTYJNJ-CQSZACIVSA-N 1 0 383.414 3.748 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000768691178 873530919 /nfs/dbraw/zinc/53/09/19/873530919.db2.gz QSDFINJCKRFTEN-MJGOQNOKSA-N 1 0 390.524 3.756 20 30 GHEDRO COC(=O)[C@H](N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)c1ccc(C#N)cc1 ZINC000768804288 873563437 /nfs/dbraw/zinc/56/34/37/873563437.db2.gz CKYXBHVSBNBAQP-FGZHOGPDSA-N 1 0 379.504 3.519 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000527779156 873564666 /nfs/dbraw/zinc/56/46/66/873564666.db2.gz FRFXLJWDJVBWRF-KRWDZBQOSA-N 1 0 379.504 3.891 20 30 GHEDRO Cc1cc(C(=O)N2CCCC23CC[NH+](C)CC3)c(C)n1-c1ccc(C#N)cc1 ZINC000768841808 873623657 /nfs/dbraw/zinc/62/36/57/873623657.db2.gz OAYLJVPLIRPJIM-UHFFFAOYSA-N 1 0 376.504 3.666 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 ZINC000768862535 873663388 /nfs/dbraw/zinc/66/33/88/873663388.db2.gz CDGCFFWHGIUHGX-UHFFFAOYSA-N 1 0 398.890 3.908 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)[C@@H]1OC ZINC001169998640 873773873 /nfs/dbraw/zinc/77/38/73/873773873.db2.gz DXLBJTPKFAFCIM-HLNSBACISA-N 1 0 389.565 3.865 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000448706915 873828097 /nfs/dbraw/zinc/82/80/97/873828097.db2.gz BCVCLXTZLRPVBH-CQSZACIVSA-N 1 0 378.314 3.563 20 30 GHEDRO C[C@H](C#N)c1ccc(NC(=O)c2cccc(CN3CCC[N@H+](C)CC3)c2)cc1 ZINC001197511222 873848137 /nfs/dbraw/zinc/84/81/37/873848137.db2.gz ULQZQOZYWADQJC-GOSISDBHSA-N 1 0 376.504 3.703 20 30 GHEDRO N#Cc1cc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1Cl ZINC000541592425 873904096 /nfs/dbraw/zinc/90/40/96/873904096.db2.gz GFRNHWHQRLXBJY-UHFFFAOYSA-N 1 0 397.906 3.659 20 30 GHEDRO N#Cc1c2ccccc2sc1NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197593697 873930676 /nfs/dbraw/zinc/93/06/76/873930676.db2.gz GEEYSKUZUGORNJ-MRXNPFEDSA-N 1 0 377.469 3.592 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001197697502 873988326 /nfs/dbraw/zinc/98/83/26/873988326.db2.gz JYSMYGWLDWQJRM-QFIPXVFZSA-N 1 0 376.529 3.853 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001197701456 873989022 /nfs/dbraw/zinc/98/90/22/873989022.db2.gz GIPQKXLNKXFFPR-GOSISDBHSA-N 1 0 397.548 3.847 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1OC ZINC000448840393 874012338 /nfs/dbraw/zinc/01/23/38/874012338.db2.gz KORDRASNRSLGQP-QFIPXVFZSA-N 1 0 385.508 3.828 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCOC2)c1C#N ZINC000541648173 874015919 /nfs/dbraw/zinc/01/59/19/874015919.db2.gz BJDPPKRYSLXIKI-WMZOPIPTSA-N 1 0 386.540 3.825 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448822220 874018403 /nfs/dbraw/zinc/01/84/03/874018403.db2.gz JYQSMOBUJHPAQP-LZWOXQAQSA-N 1 0 390.325 3.798 20 30 GHEDRO N#Cc1ccsc1NC(=O)C[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464577001 874105653 /nfs/dbraw/zinc/10/56/53/874105653.db2.gz HORCBNCGCOAOIS-UHFFFAOYSA-N 1 0 399.516 3.508 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000464567428 874121589 /nfs/dbraw/zinc/12/15/89/874121589.db2.gz GUYXLUYXNMDBRQ-SFHVURJKSA-N 1 0 381.476 3.534 20 30 GHEDRO C#C[C@H]([NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@@H]1CCCO1 ZINC000775808210 874140754 /nfs/dbraw/zinc/14/07/54/874140754.db2.gz YVZFYKMKDLXZNF-IRXDYDNUSA-N 1 0 393.325 3.555 20 30 GHEDRO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000509521805 874151335 /nfs/dbraw/zinc/15/13/35/874151335.db2.gz HANVUQZNBUCGIC-HXUWFJFHSA-N 1 0 378.520 3.710 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1 ZINC000769562347 874160237 /nfs/dbraw/zinc/16/02/37/874160237.db2.gz MAQQWZNFXBPZKT-INIZCTEOSA-N 1 0 375.513 3.960 20 30 GHEDRO CC(C)([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000475720788 882804660 /nfs/dbraw/zinc/80/46/60/882804660.db2.gz XUZWYLXVWMNCBC-UHFFFAOYSA-N 1 0 391.393 3.598 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)C(C)C ZINC000448975582 874279300 /nfs/dbraw/zinc/27/93/00/874279300.db2.gz PVFMJSUNUDHTJP-KRWDZBQOSA-N 1 0 390.325 3.749 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccccc3)C2)sc2c1CCC2 ZINC000595831893 874399932 /nfs/dbraw/zinc/39/99/32/874399932.db2.gz MVRCXYTXQXCCMV-MRXNPFEDSA-N 1 0 381.501 3.590 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(C4CCCC4)s3)C2=O)cc1 ZINC000541871293 874440262 /nfs/dbraw/zinc/44/02/62/874440262.db2.gz SWZMAHFCZDBZPC-LJQANCHMSA-N 1 0 380.517 3.958 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000541895687 874484140 /nfs/dbraw/zinc/48/41/40/874484140.db2.gz KUJCGWQOOBSYLD-RXVVDRJESA-N 1 0 387.487 3.618 20 30 GHEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000541913190 874515717 /nfs/dbraw/zinc/51/57/17/874515717.db2.gz AERNFBYOVWXJJX-YWZLYKJASA-N 1 0 380.467 3.975 20 30 GHEDRO Cn1cc([C@@H]2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)nn1 ZINC001198611550 874519853 /nfs/dbraw/zinc/51/98/53/874519853.db2.gz ASAOMCZMPFMMDF-HXUWFJFHSA-N 1 0 385.515 3.894 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528414926 874539827 /nfs/dbraw/zinc/53/98/27/874539827.db2.gz ABLIDJZAXTVXAW-HXUWFJFHSA-N 1 0 387.483 3.877 20 30 GHEDRO CC1(C#N)CCC([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000449180514 874571704 /nfs/dbraw/zinc/57/17/04/874571704.db2.gz ZUMAKUGFQHARSK-UHFFFAOYSA-N 1 0 395.594 3.527 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1C#N ZINC000464861018 874660689 /nfs/dbraw/zinc/66/06/89/874660689.db2.gz UDHDVTBSVAYJBI-FXAWDEMLSA-N 1 0 384.524 3.531 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2C[C@@H]3CCC[C@H]3C2)c1C#N ZINC000464877350 874702989 /nfs/dbraw/zinc/70/29/89/874702989.db2.gz JDVCROKEFUCSJX-OALUTQOASA-N 1 0 394.494 3.834 20 30 GHEDRO COc1ccc(CC[NH2+]Cc2cc(C#N)ccc2Br)cc1OC ZINC001198952621 874726588 /nfs/dbraw/zinc/72/65/88/874726588.db2.gz OLHZYBAYHOOEES-UHFFFAOYSA-N 1 0 375.266 3.670 20 30 GHEDRO Cn1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(-c2ccc(F)cc2)n1 ZINC000449322127 874727885 /nfs/dbraw/zinc/72/78/85/874727885.db2.gz WCZFXLVOHJPGTQ-UHFFFAOYSA-N 1 0 391.494 3.662 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1 ZINC000528681121 874879923 /nfs/dbraw/zinc/87/99/23/874879923.db2.gz YNXRHNXLIXSHEI-LJQANCHMSA-N 1 0 394.475 3.821 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(-n4cnc5ccccc54)cc3)no2)CC1 ZINC000770875142 874936114 /nfs/dbraw/zinc/93/61/14/874936114.db2.gz MGFXVVFUNQLLJD-UHFFFAOYSA-N 1 0 383.455 3.888 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000449521622 874993469 /nfs/dbraw/zinc/99/34/69/874993469.db2.gz JAGBSBZXTWSTIQ-UHFFFAOYSA-N 1 0 393.531 3.964 20 30 GHEDRO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3c1O)C2 ZINC001109775045 875003607 /nfs/dbraw/zinc/00/36/07/875003607.db2.gz YBUFKNJYKNPJHK-MNEFBYGVSA-N 1 0 382.508 3.641 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1OCCCC#N ZINC000449533294 875016141 /nfs/dbraw/zinc/01/61/41/875016141.db2.gz FHENCVMKPGMMRV-FPOVZHCZSA-N 1 0 381.476 3.783 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(C#N)cc3)c(C)c2)CC1 ZINC000858160091 882897003 /nfs/dbraw/zinc/89/70/03/882897003.db2.gz CZSWSWYPYJGGKI-UHFFFAOYSA-N 1 0 390.531 3.925 20 30 GHEDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cc(C#N)cs1 ZINC000449684253 875240545 /nfs/dbraw/zinc/24/05/45/875240545.db2.gz OWPRMSMEUWLJOX-AWEZNQCLSA-N 1 0 379.323 3.632 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000771430148 875262962 /nfs/dbraw/zinc/26/29/62/875262962.db2.gz DIWLJLFOKLACHJ-UHFFFAOYSA-N 1 0 397.563 3.742 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000771545097 875299341 /nfs/dbraw/zinc/29/93/41/875299341.db2.gz BMRGHSOZVSXFKF-UHFFFAOYSA-N 1 0 385.924 3.810 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)cc2)CC1 ZINC000771526980 875313725 /nfs/dbraw/zinc/31/37/25/875313725.db2.gz YGGXASHZRBXKBD-IZZDOVSWSA-N 1 0 389.499 3.564 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000776089184 875325351 /nfs/dbraw/zinc/32/53/51/875325351.db2.gz SBJCSHOHWMDRCD-HXUWFJFHSA-N 1 0 393.487 3.666 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)CC1 ZINC000537651911 882935235 /nfs/dbraw/zinc/93/52/35/882935235.db2.gz JQXLEDXHVPAJGR-UHFFFAOYSA-N 1 0 383.517 3.633 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000509461625 875549971 /nfs/dbraw/zinc/54/99/71/875549971.db2.gz DPRUAOGENFNIFQ-UHFFFAOYSA-N 1 0 381.442 3.865 20 30 GHEDRO Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c[nH+]ccc1N(C)C ZINC000776179035 875673857 /nfs/dbraw/zinc/67/38/57/875673857.db2.gz KFBATGZLQNYKOU-UHFFFAOYSA-N 1 0 389.484 3.777 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000609208444 882959107 /nfs/dbraw/zinc/95/91/07/882959107.db2.gz WQIQLEWUABGHQE-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO C[NH+]1C(C)(C)CC(Nc2ccc(CN3CCS/C3=N\C#N)cn2)CC1(C)C ZINC001170454035 882963357 /nfs/dbraw/zinc/96/33/57/882963357.db2.gz RUEIZICBQHRWKQ-NKFKGCMQSA-N 1 0 386.569 3.531 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000029985839 875764824 /nfs/dbraw/zinc/76/48/24/875764824.db2.gz NJFYEOQVKGGNAP-UHFFFAOYSA-N 1 0 387.405 3.925 20 30 GHEDRO CCCCCCCCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001201630902 875774801 /nfs/dbraw/zinc/77/48/01/875774801.db2.gz HBYUBHVNOKDKTE-RBBKRZOGSA-N 1 0 382.589 3.903 20 30 GHEDRO COCc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1C#N ZINC000529211883 875835200 /nfs/dbraw/zinc/83/52/00/875835200.db2.gz PKKPVOJVOZSXOW-KKSFZXQISA-N 1 0 378.476 3.662 20 30 GHEDRO CCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001201762281 875846982 /nfs/dbraw/zinc/84/69/82/875846982.db2.gz DEIHGSBMUJIJNF-OAQYLSRUSA-N 1 0 381.561 3.548 20 30 GHEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340274 875893619 /nfs/dbraw/zinc/89/36/19/875893619.db2.gz BUCKLZXNNPCPPK-QGZVFWFLSA-N 1 0 395.503 3.617 20 30 GHEDRO CCCCCCCCC[NH+]1CCC2(CN(CCOC)C(=O)[C@@H]2COC)CC1 ZINC001201846902 875900627 /nfs/dbraw/zinc/90/06/27/875900627.db2.gz OWTZXHQOPBNRMI-FQEVSTJZSA-N 1 0 382.589 3.570 20 30 GHEDRO C=CCNC(=O)c1ccc(NCc2ccccc2C[N@H+](C)Cc2ccco2)nc1 ZINC000172766291 875907378 /nfs/dbraw/zinc/90/73/78/875907378.db2.gz FJMBILLDWRCUTI-UHFFFAOYSA-N 1 0 390.487 3.835 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001201875014 875918838 /nfs/dbraw/zinc/91/88/38/875918838.db2.gz NQGBHFRZLNYWNR-VSKRKVRLSA-N 1 0 394.600 3.713 20 30 GHEDRO CC(C)COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001201962922 875956237 /nfs/dbraw/zinc/95/62/37/875956237.db2.gz IXLXBRHESLXQFH-JOCHJYFZSA-N 1 0 377.488 3.878 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2Br)cc1 ZINC001202168446 876040448 /nfs/dbraw/zinc/04/04/48/876040448.db2.gz JTPWPBGZFNGXCI-FQEVSTJZSA-N 1 0 388.305 3.849 20 30 GHEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271927829 876063022 /nfs/dbraw/zinc/06/30/22/876063022.db2.gz GXIKMTSIOHVFMJ-HNNXBMFYSA-N 1 0 389.496 3.577 20 30 GHEDRO C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC000858284570 883001219 /nfs/dbraw/zinc/00/12/19/883001219.db2.gz KVINQMCITAVJBN-FXAWDEMLSA-N 1 0 398.551 3.905 20 30 GHEDRO N#Cc1cc(Br)cnc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000450288946 876203361 /nfs/dbraw/zinc/20/33/61/876203361.db2.gz NMXAGLHJEWELOV-UHFFFAOYSA-N 1 0 391.338 3.523 20 30 GHEDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(C#N)cc1 ZINC000785710863 876216380 /nfs/dbraw/zinc/21/63/80/876216380.db2.gz GEPKXUJJJPJULD-KRWDZBQOSA-N 1 0 378.472 3.681 20 30 GHEDRO N#Cc1c(Cl)cccc1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000450324888 876287467 /nfs/dbraw/zinc/28/74/67/876287467.db2.gz ROFJTRKHFJRBLP-KRWDZBQOSA-N 1 0 382.895 3.521 20 30 GHEDRO CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Oc1cc(F)cc(F)c1 ZINC000262663008 876291966 /nfs/dbraw/zinc/29/19/66/876291966.db2.gz NKFKRDNSGWWHPU-UHFFFAOYSA-N 1 0 391.418 3.710 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc(OC)c1O ZINC000120901416 876367565 /nfs/dbraw/zinc/36/75/65/876367565.db2.gz OMIICDLKOJGLLV-UHFFFAOYSA-N 1 0 378.476 3.552 20 30 GHEDRO N#CC1(c2ccc(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000180130739 883023100 /nfs/dbraw/zinc/02/31/00/883023100.db2.gz SIXAWAIOJBZZGH-UHFFFAOYSA-N 1 0 377.463 3.775 20 30 GHEDRO CCOc1cc(C#N)ccc1OC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000776424456 876454888 /nfs/dbraw/zinc/45/48/88/876454888.db2.gz BVKLVMPBFPVAFR-WQLSENKSSA-N 1 0 380.444 3.516 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)C2CCOCC2)ccc1Cl ZINC000786148686 876477487 /nfs/dbraw/zinc/47/74/87/876477487.db2.gz LHMVHDDSRQIZIH-UHFFFAOYSA-N 1 0 377.916 3.690 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000108521863 876484508 /nfs/dbraw/zinc/48/45/08/876484508.db2.gz KQNGUMVSKNTARW-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO COC1CCN(C2(C[NH2+]Cc3cccc(OCCCC#N)c3)CCCC2)CC1 ZINC000609354257 883043609 /nfs/dbraw/zinc/04/36/09/883043609.db2.gz ZEIZOHJPGXLOEB-UHFFFAOYSA-N 1 0 385.552 3.882 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000152062360 876666866 /nfs/dbraw/zinc/66/68/66/876666866.db2.gz CLFUGFLADRSEIF-UHFFFAOYSA-N 1 0 382.439 3.514 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1OCCCC#N ZINC000850418609 876900346 /nfs/dbraw/zinc/90/03/46/876900346.db2.gz NTTPUSGDWPJOPQ-KRWDZBQOSA-N 1 0 394.393 3.618 20 30 GHEDRO N#Cc1ccc(Br)c(COC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000786826105 876946644 /nfs/dbraw/zinc/94/66/44/876946644.db2.gz POTVYRFNTQPKGN-UHFFFAOYSA-N 1 0 399.288 3.812 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1C ZINC000786876853 876999001 /nfs/dbraw/zinc/99/90/01/876999001.db2.gz AIPHWZPEPKKWSL-NRFANRHFSA-N 1 0 397.519 3.500 20 30 GHEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@@H]1CCOc2ccccc21 ZINC000262694127 877249896 /nfs/dbraw/zinc/24/98/96/877249896.db2.gz DCIHLUAGEANMCZ-USXIJHARSA-N 1 0 386.293 3.733 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000174793841 877252566 /nfs/dbraw/zinc/25/25/66/877252566.db2.gz VVQOQQQNXYMKGI-KKSFZXQISA-N 1 0 389.565 3.798 20 30 GHEDRO C=C(C)COc1cc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000136565824 877258331 /nfs/dbraw/zinc/25/83/31/877258331.db2.gz PWGTXAPQFPIQJE-SFTDATJTSA-N 1 0 388.552 3.508 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000530235061 877338912 /nfs/dbraw/zinc/33/89/12/877338912.db2.gz UNAAQEOSGHYTIK-RLFYNMQTSA-N 1 0 377.271 3.750 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000530235072 877338947 /nfs/dbraw/zinc/33/89/47/877338947.db2.gz USYFJCRIZFNBDL-BHIYHBOVSA-N 1 0 390.405 3.853 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000064719976 877346285 /nfs/dbraw/zinc/34/62/85/877346285.db2.gz GOOXUBIXNDBWAV-UHFFFAOYSA-N 1 0 378.476 3.525 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(NCc3cccc(OCCCC#N)c3)c2)CC1 ZINC000080196228 877489843 /nfs/dbraw/zinc/48/98/43/877489843.db2.gz UWESFWBWBDQLMF-UHFFFAOYSA-N 1 0 378.520 3.729 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(F)(c3cccnc3)CC2)c(-c2ccncc2)n1 ZINC000551584760 877502516 /nfs/dbraw/zinc/50/25/16/877502516.db2.gz OUPMTKPWKKGFBY-UHFFFAOYSA-N 1 0 390.466 3.715 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000530306988 877503934 /nfs/dbraw/zinc/50/39/34/877503934.db2.gz DRTZCYRYXHWCBE-UHFFFAOYSA-N 1 0 377.513 3.842 20 30 GHEDRO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000081014272 877589686 /nfs/dbraw/zinc/58/96/86/877589686.db2.gz IWSNHQHICSPQFM-JOCHJYFZSA-N 1 0 376.504 3.534 20 30 GHEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000451248160 877660037 /nfs/dbraw/zinc/66/00/37/877660037.db2.gz NOMZGXWCFHVODV-YPMHNXCESA-N 1 0 378.822 3.993 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000237600398 877666021 /nfs/dbraw/zinc/66/60/21/877666021.db2.gz UPEZDSUHBWYFQL-QGZVFWFLSA-N 1 0 389.455 3.790 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000170852934 877727094 /nfs/dbraw/zinc/72/70/94/877727094.db2.gz FLKGIBKDAISFJA-UHFFFAOYSA-N 1 0 376.504 3.570 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000477493013 877727897 /nfs/dbraw/zinc/72/78/97/877727897.db2.gz VHCWNZYIVHOUJV-JOCHJYFZSA-N 1 0 385.508 3.604 20 30 GHEDRO N#Cc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1N1CCC(O)CC1 ZINC000179601438 877750584 /nfs/dbraw/zinc/75/05/84/877750584.db2.gz DXIZQCPHUYCIRY-QFIPXVFZSA-N 1 0 390.531 3.596 20 30 GHEDRO CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000179638652 877810166 /nfs/dbraw/zinc/81/01/66/877810166.db2.gz SPDUUCAWELDHII-HSZRJFAPSA-N 1 0 391.515 3.795 20 30 GHEDRO C[C@@H](O)C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)Cc1ccc(Cl)cc1 ZINC000551822200 877862375 /nfs/dbraw/zinc/86/23/75/877862375.db2.gz WSFXKCUXTAWTSO-HZPDHXFCSA-N 1 0 382.895 3.673 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCc2coc(-c3ccc(C)cc3)n2)cc1OC ZINC000303984522 877890468 /nfs/dbraw/zinc/89/04/68/877890468.db2.gz SCXULMNWOALRJA-UHFFFAOYSA-N 1 0 380.448 3.637 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)o1 ZINC000068132675 877945364 /nfs/dbraw/zinc/94/53/64/877945364.db2.gz XDYKIJFMFPFOHQ-LJQANCHMSA-N 1 0 393.487 3.821 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1Cl ZINC000451427408 877960376 /nfs/dbraw/zinc/96/03/76/877960376.db2.gz VRJPZJSVVGFQAM-SXLOBPIMSA-N 1 0 389.927 3.521 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451477491 877991167 /nfs/dbraw/zinc/99/11/67/877991167.db2.gz IGYDMTXHVHXQDV-IONDEXAJSA-N 1 0 387.549 3.813 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451478321 877993198 /nfs/dbraw/zinc/99/31/98/877993198.db2.gz JYHBVFFWJMEMRE-PBGAUENZSA-N 1 0 387.549 3.670 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCC23CCCC3)c1C#N ZINC000451462695 878007297 /nfs/dbraw/zinc/00/72/97/878007297.db2.gz VYZHJZJTIVRKJN-LJQANCHMSA-N 1 0 380.492 3.869 20 30 GHEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1(C)C ZINC000451492713 878040118 /nfs/dbraw/zinc/04/01/18/878040118.db2.gz DUNKMBRQVGVZAG-TUFGIGEDSA-N 1 0 375.538 3.526 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000852087166 878069235 /nfs/dbraw/zinc/06/92/35/878069235.db2.gz DUHJIYTVVUGWGP-VQTJNVASSA-N 1 0 376.504 3.905 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000852101565 878076390 /nfs/dbraw/zinc/07/63/90/878076390.db2.gz QQWHIDINBJAHMK-UUOWRZLLSA-N 1 0 391.515 3.850 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000451541465 878106798 /nfs/dbraw/zinc/10/67/98/878106798.db2.gz YYNHZLNADSJTDQ-MDMREKCJSA-N 1 0 388.939 3.961 20 30 GHEDRO CC[N@H+](CCCC(=O)N[C@H]1CC[C@H](C#N)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183153452 912311645 /nfs/dbraw/zinc/31/16/45/912311645.db2.gz ZZTFAUXGFAPMIK-JBACZVJFSA-N 1 0 385.552 3.927 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000788549034 878141687 /nfs/dbraw/zinc/14/16/87/878141687.db2.gz UDGBLGOJYZRCKM-UHFFFAOYSA-N 1 0 378.520 3.914 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000788643917 878205186 /nfs/dbraw/zinc/20/51/86/878205186.db2.gz HRXOCLOCZJSJFV-HNNXBMFYSA-N 1 0 390.524 3.777 20 30 GHEDRO COCC[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000451687624 878343696 /nfs/dbraw/zinc/34/36/96/878343696.db2.gz CXVLZLPMYITPKX-KRWDZBQOSA-N 1 0 397.441 3.715 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1 ZINC000852472870 878348818 /nfs/dbraw/zinc/34/88/18/878348818.db2.gz HGCYNIMPMWFAPX-CRAIPNDOSA-N 1 0 397.416 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2ccncc2C#N)C1 ZINC000852487393 878368939 /nfs/dbraw/zinc/36/89/39/878368939.db2.gz FEFZZINAEYUIED-NHCUHLMSSA-N 1 0 392.503 3.836 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C(=O)N4CCCC4)cc3)CCOCC2)c1 ZINC000852564531 878427281 /nfs/dbraw/zinc/42/72/81/878427281.db2.gz IGKIWSAIXXGNPB-UHFFFAOYSA-N 1 0 389.499 3.590 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000272125861 878440159 /nfs/dbraw/zinc/44/01/59/878440159.db2.gz AIYICRVWIQRJRG-GOSISDBHSA-N 1 0 391.515 3.940 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(-c4ccccn4)s3)C2)c(F)c1 ZINC000530764016 878448068 /nfs/dbraw/zinc/44/80/68/878448068.db2.gz PVTXZAGKTYIKGR-MRXNPFEDSA-N 1 0 393.491 3.974 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852595989 878449703 /nfs/dbraw/zinc/44/97/03/878449703.db2.gz KDPGDPGLYFDQSG-ONTIZHBOSA-N 1 0 383.536 3.911 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852597688 878451266 /nfs/dbraw/zinc/45/12/66/878451266.db2.gz SRXZBIMSPCKCNQ-BLIXFSHQSA-N 1 0 390.487 3.505 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)s1 ZINC000852603124 878460443 /nfs/dbraw/zinc/46/04/43/878460443.db2.gz FKULXIMTNJVZQC-AWEZNQCLSA-N 1 0 385.455 3.633 20 30 GHEDRO COc1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1C#N ZINC000746781087 878520769 /nfs/dbraw/zinc/52/07/69/878520769.db2.gz LOKBKXLOBJAINJ-NRFANRHFSA-N 1 0 392.503 3.512 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460783004 878555131 /nfs/dbraw/zinc/55/51/31/878555131.db2.gz CPPUWTAFCXEPOA-PKOBYXMFSA-N 1 0 383.540 3.696 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852729161 878556328 /nfs/dbraw/zinc/55/63/28/878556328.db2.gz LHSMNMIXAQNYPF-RTWAWAEBSA-N 1 0 385.895 3.888 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000852817438 878618257 /nfs/dbraw/zinc/61/82/57/878618257.db2.gz WKUGKRWAPOVUSR-CQSZACIVSA-N 1 0 383.344 3.914 20 30 GHEDRO Cc1cc([C@@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2Cl)ccc1F ZINC000852845958 878631727 /nfs/dbraw/zinc/63/17/27/878631727.db2.gz AMAMRUJVCWURBN-JOCHJYFZSA-N 1 0 384.882 3.996 20 30 GHEDRO COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852847213 878633326 /nfs/dbraw/zinc/63/33/26/878633326.db2.gz PUDYPAZNZFODEU-GOSISDBHSA-N 1 0 376.500 3.885 20 30 GHEDRO C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852916810 878658176 /nfs/dbraw/zinc/65/81/76/878658176.db2.gz BQVYBBZLLDZKFZ-FQEVSTJZSA-N 1 0 378.438 3.632 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c(C#N)c1C ZINC000451902233 878666998 /nfs/dbraw/zinc/66/69/98/878666998.db2.gz NQBFTHYLDSQBJY-INIZCTEOSA-N 1 0 388.556 3.928 20 30 GHEDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000451933847 878700928 /nfs/dbraw/zinc/70/09/28/878700928.db2.gz CSUABKOXWDKOKN-FQEVSTJZSA-N 1 0 391.515 3.703 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000530909511 878756069 /nfs/dbraw/zinc/75/60/69/878756069.db2.gz UENASGODOJUGRP-UHFFFAOYSA-N 1 0 389.421 3.710 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789314403 878835113 /nfs/dbraw/zinc/83/51/13/878835113.db2.gz AFBDXFMALABUDV-UHFFFAOYSA-N 1 0 398.894 3.726 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460942682 878863201 /nfs/dbraw/zinc/86/32/01/878863201.db2.gz CPQYMHFKKYAJCA-XLIONFOSSA-N 1 0 385.531 3.751 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000452076673 878908323 /nfs/dbraw/zinc/90/83/23/878908323.db2.gz ZDZMNPIQQIDTBA-IEZWGBDMSA-N 1 0 388.556 3.756 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460960228 878914373 /nfs/dbraw/zinc/91/43/73/878914373.db2.gz QZVZYZORCGQTNK-KRWDZBQOSA-N 1 0 387.503 3.665 20 30 GHEDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000452082344 878940690 /nfs/dbraw/zinc/94/06/90/878940690.db2.gz KVNRQTURJGRPLW-INIZCTEOSA-N 1 0 389.565 3.966 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(Br)cnc2C#N)C1 ZINC000853331949 878972028 /nfs/dbraw/zinc/97/20/28/878972028.db2.gz AMXJMJADTZGFTH-LSDHHAIUSA-N 1 0 377.330 3.807 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000538186976 878999307 /nfs/dbraw/zinc/99/93/07/878999307.db2.gz DMYUHLZTZPLHRN-PGRDOPGGSA-N 1 0 377.488 3.691 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000180522557 879003047 /nfs/dbraw/zinc/00/30/47/879003047.db2.gz JAGMQCPAEXZBAT-UHFFFAOYSA-N 1 0 393.318 3.868 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC(=O)NC3CCCCC3)c2)c1 ZINC000111400113 879086905 /nfs/dbraw/zinc/08/69/05/879086905.db2.gz KWYBFPLCFVXNJV-UHFFFAOYSA-N 1 0 377.488 3.676 20 30 GHEDRO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000538267861 879153126 /nfs/dbraw/zinc/15/31/26/879153126.db2.gz YKNNNIRQRSMLSW-NRFANRHFSA-N 1 0 393.487 3.868 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)NCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 ZINC000193050838 879169761 /nfs/dbraw/zinc/16/97/61/879169761.db2.gz UTGKFTWPIGPBEE-GOSISDBHSA-N 1 0 395.503 3.918 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(-c2ccncc2)n1 ZINC000789740278 879255831 /nfs/dbraw/zinc/25/58/31/879255831.db2.gz UDXIZGCGPASUIJ-UXHICEINSA-N 1 0 391.475 3.540 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3c(Cl)ccc4cccnc43)C2=O)cc1 ZINC000616996487 879301860 /nfs/dbraw/zinc/30/18/60/879301860.db2.gz UMTVKSDXANVRGC-FQEVSTJZSA-N 1 0 390.874 3.651 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000531207652 879327978 /nfs/dbraw/zinc/32/79/78/879327978.db2.gz KIQSPHZUBASEIR-UHFFFAOYSA-N 1 0 393.491 3.553 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000180844162 879382538 /nfs/dbraw/zinc/38/25/38/879382538.db2.gz YOIPZHRGTDCXPA-AWEZNQCLSA-N 1 0 379.851 3.687 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C#N)nc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452449160 879460790 /nfs/dbraw/zinc/46/07/90/879460790.db2.gz AVSVULGEOQMBOS-QFIPXVFZSA-N 1 0 388.515 3.716 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCC[C@]2(C)CO)ccc1OCc1cccc(C#N)c1 ZINC000493519842 879494820 /nfs/dbraw/zinc/49/48/20/879494820.db2.gz DTKZBWMGMLYOLN-DHIUTWEWSA-N 1 0 380.488 3.787 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000031399172 879517917 /nfs/dbraw/zinc/51/79/17/879517917.db2.gz FRMMRLNCHYNMER-UHFFFAOYSA-N 1 0 394.494 3.502 20 30 GHEDRO N#Cc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000493877541 879690205 /nfs/dbraw/zinc/69/02/05/879690205.db2.gz AMQYUOTWUYBANP-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO C=C(CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461415183 879811276 /nfs/dbraw/zinc/81/12/76/879811276.db2.gz DUPYWXDYZBWAIW-DHIUTWEWSA-N 1 0 375.516 3.863 20 30 GHEDRO N#Cc1cccc(C2(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)CC2)c1 ZINC000461440354 879817107 /nfs/dbraw/zinc/81/71/07/879817107.db2.gz XURRIAXOMGCUKP-VXKWHMMOSA-N 1 0 385.511 3.570 20 30 GHEDRO C=CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461456997 879868675 /nfs/dbraw/zinc/86/86/75/879868675.db2.gz OWUDXQHIWVDLOU-FGZHOGPDSA-N 1 0 376.500 3.846 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247022857 879888466 /nfs/dbraw/zinc/88/84/66/879888466.db2.gz DJZNCZUXQVLLDG-IKGGRYGDSA-N 1 0 390.553 3.559 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3C)c2C(C)C)CC1 ZINC000790661196 879923010 /nfs/dbraw/zinc/92/30/10/879923010.db2.gz WYHRKZVDOVUSJP-UHFFFAOYSA-N 1 0 378.520 3.522 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000609166993 879962554 /nfs/dbraw/zinc/96/25/54/879962554.db2.gz LBSQIJSCYYOLBU-UHFFFAOYSA-N 1 0 390.940 3.700 20 30 GHEDRO CN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000790781115 879995615 /nfs/dbraw/zinc/99/56/15/879995615.db2.gz COMQVZDXHLTGBL-HXUWFJFHSA-N 1 0 386.417 3.790 20 30 GHEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000112694871 880087828 /nfs/dbraw/zinc/08/78/28/880087828.db2.gz VXTAHGKMDKVGOA-JOCHJYFZSA-N 1 0 390.487 3.609 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000286015608 912536923 /nfs/dbraw/zinc/53/69/23/912536923.db2.gz JMBVKTVGHVXDAI-PMACEKPBSA-N 1 0 398.503 3.751 20 30 GHEDRO C=CCOc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000531702316 880329191 /nfs/dbraw/zinc/32/91/91/880329191.db2.gz OWHLDZSILPXFLU-INIZCTEOSA-N 1 0 392.293 3.543 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000113328273 880517541 /nfs/dbraw/zinc/51/75/41/880517541.db2.gz NTIYWWOMKMPADD-UHFFFAOYSA-N 1 0 393.483 3.655 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c(C)nc3sc(C)cn23)ccc1OC ZINC000113348182 880521997 /nfs/dbraw/zinc/52/19/97/880521997.db2.gz UATYVMMSGMKWID-MRXNPFEDSA-N 1 0 384.505 3.992 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000113357776 880522013 /nfs/dbraw/zinc/52/20/13/880522013.db2.gz BLNNCIPDPKNKPB-IAGOWNOFSA-N 1 0 397.494 3.928 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000776822356 880624226 /nfs/dbraw/zinc/62/42/26/880624226.db2.gz JEIGPIMKCQPBQJ-NVXWUHKLSA-N 1 0 382.426 3.904 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000453440787 880900811 /nfs/dbraw/zinc/90/08/11/880900811.db2.gz NDSMNGDZKKVVFS-WOJBJXKFSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453423224 880922341 /nfs/dbraw/zinc/92/23/41/880922341.db2.gz CJTYRNMDTAXEMF-PCCBWWKXSA-N 1 0 395.551 3.628 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453428905 880933877 /nfs/dbraw/zinc/93/38/77/880933877.db2.gz AVIFMACQXVHQQG-UHFFFAOYSA-N 1 0 383.540 3.580 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453454615 880945454 /nfs/dbraw/zinc/94/54/54/880945454.db2.gz QKJQCRVZWHIUCF-FHWLQOOXSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453464732 880967928 /nfs/dbraw/zinc/96/79/28/880967928.db2.gz LFTLBXYEFZPPNY-SFHLNBCPSA-N 1 0 395.551 3.805 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000453448033 881001892 /nfs/dbraw/zinc/00/18/92/881001892.db2.gz BXUPAPZUBVWDMZ-QGZVFWFLSA-N 1 0 385.581 3.817 20 30 GHEDRO C#CCN(C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000792281442 881011500 /nfs/dbraw/zinc/01/15/00/881011500.db2.gz YGGUJCYXEHVQMP-UHFFFAOYSA-N 1 0 385.474 3.769 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000919895221 881093696 /nfs/dbraw/zinc/09/36/96/881093696.db2.gz HLDVEKVEPAYLOQ-KHPPLWFESA-N 1 0 386.499 3.742 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000856413638 881216156 /nfs/dbraw/zinc/21/61/56/881216156.db2.gz OGKMKQXBDOJPIU-VQHVLOKHSA-N 1 0 384.520 3.511 20 30 GHEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)CC1CC1 ZINC000499133550 881221473 /nfs/dbraw/zinc/22/14/73/881221473.db2.gz ADCKDXGKRYWIBP-UHFFFAOYSA-N 1 0 380.492 3.645 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000556978212 881314587 /nfs/dbraw/zinc/31/45/87/881314587.db2.gz NGXYQWHURJJIPV-HZPDHXFCSA-N 1 0 380.423 3.563 20 30 GHEDRO CN1C(=O)C[C@H]([NH2+]Cc2cccc(C#N)c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494255536 881333070 /nfs/dbraw/zinc/33/30/70/881333070.db2.gz BLWAJPVFVGPJJI-QFBILLFUSA-N 1 0 375.806 3.551 20 30 GHEDRO CCOc1cccc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000858566622 883203914 /nfs/dbraw/zinc/20/39/14/883203914.db2.gz BGSKQRJZHIYGKP-OUKQBFOZSA-N 1 0 377.488 3.561 20 30 GHEDRO CN(C(=O)c1ccc(NCc2c(F)cc(C#N)cc2F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000551091154 883272784 /nfs/dbraw/zinc/27/27/84/883272784.db2.gz LTFCVBNSBMIWSL-GOSISDBHSA-N 1 0 398.457 3.615 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000609515504 883281862 /nfs/dbraw/zinc/28/18/62/883281862.db2.gz CIKYTLFIEMZVPJ-SJORKVTESA-N 1 0 378.476 3.596 20 30 GHEDRO C[C@H](C(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000609515228 883282343 /nfs/dbraw/zinc/28/23/43/883282343.db2.gz QNYGAGTVIUSDGQ-LJQANCHMSA-N 1 0 375.516 3.860 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2)nc1 ZINC000609582968 883378924 /nfs/dbraw/zinc/37/89/24/883378924.db2.gz OHRRZPYIIBTGPY-UHFFFAOYSA-N 1 0 390.487 3.694 20 30 GHEDRO CC(C)(C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1ccc(C#N)cc1 ZINC000858845807 883397551 /nfs/dbraw/zinc/39/75/51/883397551.db2.gz BALFWUNYNMXNSI-UHFFFAOYSA-N 1 0 387.527 3.885 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000804859592 883401972 /nfs/dbraw/zinc/40/19/72/883401972.db2.gz SFFPAQFAPWTXBF-ZWKOTPCHSA-N 1 0 389.858 3.883 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccccc1CC ZINC000286408965 912734121 /nfs/dbraw/zinc/73/41/21/912734121.db2.gz GLJQFQGMKPASTF-UHFFFAOYSA-O 1 0 396.458 3.889 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214194 883666751 /nfs/dbraw/zinc/66/67/51/883666751.db2.gz FSRIZDBZYLNSHM-LJQANCHMSA-N 1 0 378.520 3.515 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194166793 883704377 /nfs/dbraw/zinc/70/43/77/883704377.db2.gz GDOJOPUPMQKLBO-FQEVSTJZSA-N 1 0 379.504 3.573 20 30 GHEDRO N#CC[C@@H](CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000477108722 883728316 /nfs/dbraw/zinc/72/83/16/883728316.db2.gz KHKMYBCXJYTOJA-FCHUYYIVSA-N 1 0 393.556 3.808 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000805329488 883759866 /nfs/dbraw/zinc/75/98/66/883759866.db2.gz LWNMMTLYPFKLBE-AVRDEDQJSA-N 1 0 376.504 3.665 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000805397781 883789178 /nfs/dbraw/zinc/78/91/78/883789178.db2.gz VTYUAEJSZJDAEI-UTKZUKDTSA-N 1 0 399.897 3.975 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCCCSCC#N)C1 ZINC000805540678 883887643 /nfs/dbraw/zinc/88/76/43/883887643.db2.gz GWPWHPJLQPJQAV-UHFFFAOYSA-N 1 0 385.533 3.598 20 30 GHEDRO COC(=O)c1ccc(-c2ccc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)o2)cc1 ZINC000897599581 884007104 /nfs/dbraw/zinc/00/71/04/884007104.db2.gz RDMROPGCMDGVRI-UHFFFAOYSA-N 1 0 381.428 3.571 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)Cc2cccc(OCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000760407375 884068422 /nfs/dbraw/zinc/06/84/22/884068422.db2.gz SFKOEZGWRPSKNH-UGKGYDQZSA-N 1 0 391.515 3.548 20 30 GHEDRO N#Cc1c2ccccc2[nH]c1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000897613527 884117888 /nfs/dbraw/zinc/11/78/88/884117888.db2.gz PKTKEHBXIWJBGZ-UHFFFAOYSA-N 1 0 390.409 3.575 20 30 GHEDRO C[NH+]1CCC(CNC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000760482271 884131330 /nfs/dbraw/zinc/13/13/30/884131330.db2.gz BCAQLLRYAJRPFR-UHFFFAOYSA-N 1 0 380.517 3.979 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)n(-c2nccs2)c1C)C(C)C ZINC000498356744 884174281 /nfs/dbraw/zinc/17/42/81/884174281.db2.gz ULBZVTOBFHQNDF-IBGZPJMESA-N 1 0 386.565 3.979 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000860168455 884390600 /nfs/dbraw/zinc/39/06/00/884390600.db2.gz YSXJWAJXOUCWTK-NRFANRHFSA-N 1 0 399.535 3.796 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000127571570 884398347 /nfs/dbraw/zinc/39/83/47/884398347.db2.gz SMVKMLXNXZALBS-DLBZAZTESA-N 1 0 392.503 3.718 20 30 GHEDRO N#C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183794955 912825919 /nfs/dbraw/zinc/82/59/19/912825919.db2.gz OXBRYUKFVCJMRN-ZRBLBEILSA-N 1 0 391.490 3.946 20 30 GHEDRO O[C@@]1(C(F)(F)F)CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001142539142 884611848 /nfs/dbraw/zinc/61/18/48/884611848.db2.gz VLPSNGKQMLABNV-NEPJUHHUSA-N 1 0 394.718 3.981 20 30 GHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000127594353 884628987 /nfs/dbraw/zinc/62/89/87/884628987.db2.gz PREMLLKLSGIUTD-CVEARBPZSA-N 1 0 379.460 3.801 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(OCC(F)(F)F)c3)CC2)nc1 ZINC000237694465 884797536 /nfs/dbraw/zinc/79/75/36/884797536.db2.gz BCLMLCFFOZWKET-UHFFFAOYSA-N 1 0 390.409 3.653 20 30 GHEDRO Cc1nn(C)c2sc(C(=O)/C=C\c3ccc(N4CC[NH+](C)CC4)cc3)cc12 ZINC000806577390 884832800 /nfs/dbraw/zinc/83/28/00/884832800.db2.gz QBIPJCDIVGTFPU-TWGQIWQCSA-N 1 0 380.517 3.591 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]1(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC001183900148 912879949 /nfs/dbraw/zinc/87/99/49/912879949.db2.gz ZXPLFCSCIYTHFW-CPUCHLNUSA-N 1 0 375.435 3.990 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)c3ccc(C#N)cc3F)cc2)CC1 ZINC000609216342 884934418 /nfs/dbraw/zinc/93/44/18/884934418.db2.gz HPWDGKZXNMCGSB-UHFFFAOYSA-N 1 0 380.467 3.504 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000106243126 885004603 /nfs/dbraw/zinc/00/46/03/885004603.db2.gz MJVXKQHNMDFTEX-QGZVFWFLSA-N 1 0 376.928 3.567 20 30 GHEDRO C[C@]1(Br)C[C@@H]1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000860856038 885055339 /nfs/dbraw/zinc/05/53/39/885055339.db2.gz DHHLCZALOCKSLM-AEFFLSMTSA-N 1 0 391.309 3.509 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000806929240 885096647 /nfs/dbraw/zinc/09/66/47/885096647.db2.gz YUTOHUWIMFBELM-NFBKMPQASA-N 1 0 375.516 3.885 20 30 GHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1C(=O)OC(C)(C)C ZINC000130804034 885147970 /nfs/dbraw/zinc/14/79/70/885147970.db2.gz UZJVKEXCNPDBKN-UHFFFAOYSA-N 1 0 388.512 3.650 20 30 GHEDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000556519327 885191014 /nfs/dbraw/zinc/19/10/14/885191014.db2.gz MNJLKRRBGIXMGH-KDOFPFPSSA-N 1 0 388.414 3.670 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)CC1 ZINC000107256445 885325474 /nfs/dbraw/zinc/32/54/74/885325474.db2.gz DLFFLVPBUQISGA-UHFFFAOYSA-N 1 0 396.510 3.579 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054443601 885325883 /nfs/dbraw/zinc/32/58/83/885325883.db2.gz XOPZWSVTDIYVEE-UWJYYQICSA-N 1 0 392.503 3.559 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001130895341 885337015 /nfs/dbraw/zinc/33/70/15/885337015.db2.gz MXPUVVPIBLRYKS-FQEVSTJZSA-N 1 0 377.488 3.740 20 30 GHEDRO COc1cc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c(F)cc1C#N ZINC000861270195 885360506 /nfs/dbraw/zinc/36/05/06/885360506.db2.gz LKNAUNUCVPGIJR-UHFFFAOYSA-N 1 0 388.487 3.872 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121864961 885397560 /nfs/dbraw/zinc/39/75/60/885397560.db2.gz VUOWIUOXQGQRCZ-IRXDYDNUSA-N 1 0 387.505 3.910 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc21 ZINC000453991861 885457468 /nfs/dbraw/zinc/45/74/68/885457468.db2.gz QQGDUYCBRKSSIW-FQEVSTJZSA-N 1 0 390.487 3.614 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2CC)c2ccccc2)CC1 ZINC000747404226 885527178 /nfs/dbraw/zinc/52/71/78/885527178.db2.gz IJZPOVHKTKVRBL-DEOSSOPVSA-N 1 0 390.527 3.973 20 30 GHEDRO CC1(C)CC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC(C)(C)[NH2+]1 ZINC000487901885 885589062 /nfs/dbraw/zinc/58/90/62/885589062.db2.gz WULNIQMXAYKJNH-UHFFFAOYSA-N 1 0 379.302 3.751 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807684229 885632796 /nfs/dbraw/zinc/63/27/96/885632796.db2.gz RPXXRWHKSHPBNJ-UHFFFAOYSA-N 1 0 397.563 3.505 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762221068 885771827 /nfs/dbraw/zinc/77/18/27/885771827.db2.gz MTGJCUHQTWBYKL-LJQANCHMSA-N 1 0 381.451 3.576 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000155002497 885828040 /nfs/dbraw/zinc/82/80/40/885828040.db2.gz XATBFYGGNNPNDA-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000556780556 886122895 /nfs/dbraw/zinc/12/28/95/886122895.db2.gz UQYDJVWUFPUXEI-FQEVSTJZSA-N 1 0 385.870 3.847 20 30 GHEDRO C[N@H+](CCCC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532579421 886163803 /nfs/dbraw/zinc/16/38/03/886163803.db2.gz VTUYGVPUEBELJN-UHFFFAOYSA-N 1 0 379.888 3.594 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000532581972 886175463 /nfs/dbraw/zinc/17/54/63/886175463.db2.gz LCBXVYOKYHWKFQ-IAGOWNOFSA-N 1 0 375.538 3.572 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3COc4ccccc4[C@@H]3O)c2)c1 ZINC000808453313 886363735 /nfs/dbraw/zinc/36/37/35/886363735.db2.gz DAEPEUNLIKNQTJ-UPVQGACJSA-N 1 0 386.451 3.721 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3COc4ccccc4[C@@H]3O)c2)c1 ZINC000808453316 886364046 /nfs/dbraw/zinc/36/40/46/886364046.db2.gz DAEPEUNLIKNQTJ-VWNXMTODSA-N 1 0 386.451 3.721 20 30 GHEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000556865644 886380787 /nfs/dbraw/zinc/38/07/87/886380787.db2.gz SYGLZBQQLGZZSV-MNNVXMFVSA-N 1 0 391.471 3.930 20 30 GHEDRO CN(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1N1CCCC1 ZINC000131687483 886448495 /nfs/dbraw/zinc/44/84/95/886448495.db2.gz OMHIENQYCLQZRP-UHFFFAOYSA-N 1 0 394.544 3.973 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)C1CCOCC1 ZINC000925275078 886510005 /nfs/dbraw/zinc/51/00/05/886510005.db2.gz HVXPAQIKBTWMTQ-SJORKVTESA-N 1 0 379.545 3.711 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H]1c1ccccc1 ZINC000487968478 886583832 /nfs/dbraw/zinc/58/38/32/886583832.db2.gz MVYTWHDBLSWFTF-MSOLQXFVSA-N 1 0 399.292 3.888 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1sccc1C#N ZINC000808826338 886829462 /nfs/dbraw/zinc/82/94/62/886829462.db2.gz CKZFYGMCRUQOFF-UHFFFAOYSA-N 1 0 385.489 3.679 20 30 GHEDRO C=C(C)CS(=O)(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001211920250 886861370 /nfs/dbraw/zinc/86/13/70/886861370.db2.gz WQDDZHQKNKARHJ-FQEVSTJZSA-N 1 0 376.566 3.515 20 30 GHEDRO FC(F)(F)c1cc(Br)ccc1C=NNCC[NH+]1CCCCC1 ZINC000794495117 886909915 /nfs/dbraw/zinc/90/99/15/886909915.db2.gz NEZWTTPHYUXQJD-UHFFFAOYSA-N 1 0 378.236 3.877 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(Oc4ccccc4)nn3)CC2)cc1 ZINC000536561071 887085964 /nfs/dbraw/zinc/08/59/64/887085964.db2.gz RKOHADCCEOKWAD-UHFFFAOYSA-N 1 0 399.498 3.848 20 30 GHEDRO CN(c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1)C1CCCCC1 ZINC000863552238 887207603 /nfs/dbraw/zinc/20/76/03/887207603.db2.gz WORZQILQGKETCU-QFIPXVFZSA-N 1 0 385.552 3.616 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272434045 887485571 /nfs/dbraw/zinc/48/55/71/887485571.db2.gz NRIJTXZRHXIAFY-SFHVURJKSA-N 1 0 388.475 3.599 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000131874969 887585778 /nfs/dbraw/zinc/58/57/78/887585778.db2.gz HMHDHMROMAKDFZ-SFHVURJKSA-N 1 0 381.524 3.559 20 30 GHEDRO C#Cc1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCC(C)CC2)cc1 ZINC000809629808 887631139 /nfs/dbraw/zinc/63/11/39/887631139.db2.gz ZYNGBOZIRPGBJF-UHFFFAOYSA-N 1 0 396.556 3.519 20 30 GHEDRO C=CCc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(OC)c1 ZINC000032462958 887713557 /nfs/dbraw/zinc/71/35/57/887713557.db2.gz SUTAPIAKJYJPGM-UHFFFAOYSA-N 1 0 394.515 3.715 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)cc1OC ZINC000809720621 887744336 /nfs/dbraw/zinc/74/43/36/887744336.db2.gz JWZPHAUULPLEEX-GOSISDBHSA-N 1 0 376.497 3.749 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000810128653 888194595 /nfs/dbraw/zinc/19/45/95/888194595.db2.gz IOISQZYJQXCSFX-ZWKOTPCHSA-N 1 0 396.535 3.585 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(C#N)cc2Cl)CC1 ZINC000053611508 888286747 /nfs/dbraw/zinc/28/67/47/888286747.db2.gz BTCUFLPUHVXEJY-UHFFFAOYSA-N 1 0 397.906 3.680 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1N1CCC(O)CC1 ZINC000810217383 888294870 /nfs/dbraw/zinc/29/48/70/888294870.db2.gz CLCDPHRHWWGSQY-NYHFZMIOSA-N 1 0 379.479 3.997 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)nc1 ZINC000810235484 888312154 /nfs/dbraw/zinc/31/21/54/888312154.db2.gz QPWINTPILYVGPT-SUMWQHHRSA-N 1 0 399.292 3.562 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000763266012 888410320 /nfs/dbraw/zinc/41/03/20/888410320.db2.gz MHHKTBNJQNIRIH-NRFANRHFSA-N 1 0 377.488 3.827 20 30 GHEDRO Cc1ncc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1-c1ccccc1 ZINC000122821774 888485193 /nfs/dbraw/zinc/48/51/93/888485193.db2.gz PCTKXQGJFDNDJX-UHFFFAOYSA-N 1 0 385.515 3.760 20 30 GHEDRO Cc1ccnc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c1Br ZINC000865692228 888517839 /nfs/dbraw/zinc/51/78/39/888517839.db2.gz BTHHSDSBFPWLQN-UHFFFAOYSA-N 1 0 385.309 3.783 20 30 GHEDRO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1 ZINC000865697276 888520899 /nfs/dbraw/zinc/52/08/99/888520899.db2.gz VYCMALKCSDEELJ-UHFFFAOYSA-N 1 0 387.487 3.716 20 30 GHEDRO C=CCOc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000025463203 888526794 /nfs/dbraw/zinc/52/67/94/888526794.db2.gz NMUMHFBLTSEOTQ-UHFFFAOYSA-N 1 0 394.515 3.827 20 30 GHEDRO COc1cc(C=NNCC[NH+]2CCCCC2)ccc1OCc1ccc(F)cc1 ZINC000915974420 888591798 /nfs/dbraw/zinc/59/17/98/888591798.db2.gz UDQNNVAODCDMMY-UHFFFAOYSA-N 1 0 385.483 3.823 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000496465011 888817836 /nfs/dbraw/zinc/81/78/36/888817836.db2.gz ISULTIVTHDEDNQ-INIZCTEOSA-N 1 0 384.442 3.721 20 30 GHEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000866347132 888839869 /nfs/dbraw/zinc/83/98/69/888839869.db2.gz QSLHHKIBHSMIMU-MHECFPHRSA-N 1 0 398.510 3.818 20 30 GHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)C=NN1C(=S)N=NC1[C@H]1CCCCO1 ZINC000747632635 888895087 /nfs/dbraw/zinc/89/50/87/888895087.db2.gz ODXCMTURNSMBPD-QGZVFWFLSA-N 1 0 387.553 3.801 20 30 GHEDRO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000454354748 888898093 /nfs/dbraw/zinc/89/80/93/888898093.db2.gz ZIIDAZDORPLVLI-RTBURBONSA-N 1 0 376.504 3.783 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000810840476 888929333 /nfs/dbraw/zinc/92/93/33/888929333.db2.gz GROGWOYCQHGLIK-UNMCSNQZSA-N 1 0 376.456 3.921 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000123553883 889328052 /nfs/dbraw/zinc/32/80/52/889328052.db2.gz GDQDTYIWYZYGDU-FQEVSTJZSA-N 1 0 376.504 3.581 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C(F)(F)F)c1 ZINC000868209053 889353149 /nfs/dbraw/zinc/35/31/49/889353149.db2.gz GGTISFQYMNHAPO-SQNIBIBYSA-N 1 0 394.441 3.725 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2cc(C#N)ccc2Br)C1 ZINC000811447859 889607150 /nfs/dbraw/zinc/60/71/50/889607150.db2.gz PVDVZOUDPWHVAT-QGZVFWFLSA-N 1 0 383.261 3.576 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811459828 889619613 /nfs/dbraw/zinc/61/96/13/889619613.db2.gz PNNNARPURCZTKW-AWEZNQCLSA-N 1 0 383.414 3.924 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C(F)(F)F)c1 ZINC001132904005 889810573 /nfs/dbraw/zinc/81/05/73/889810573.db2.gz MCYDIILGWINSTD-OALUTQOASA-N 1 0 387.405 3.800 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000811897268 890097450 /nfs/dbraw/zinc/09/74/50/890097450.db2.gz RUGZBWPIBSDHQD-IIBYNOLFSA-N 1 0 396.922 3.934 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000533309316 890222917 /nfs/dbraw/zinc/22/29/17/890222917.db2.gz HGLDZZOSQZAHNW-HNNXBMFYSA-N 1 0 382.357 3.537 20 30 GHEDRO Cc1ccc(C#N)nc1-n1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)c2ccnc1-2 ZINC001170666060 890395025 /nfs/dbraw/zinc/39/50/25/890395025.db2.gz NCROOGBDDNCUKU-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO C#C[C@H](NC(=O)NCC[N@@H+](CC)CCC(F)(F)F)c1ccc(Cl)cc1F ZINC000812204800 890428450 /nfs/dbraw/zinc/42/84/50/890428450.db2.gz KMZNGEJQHSXTII-HNNXBMFYSA-N 1 0 393.812 3.727 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCN(C)c1ccccc1 ZINC000126377547 890502790 /nfs/dbraw/zinc/50/27/90/890502790.db2.gz UNLKRHXIMXVGQK-UHFFFAOYSA-N 1 0 385.581 3.721 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000871051870 890616197 /nfs/dbraw/zinc/61/61/97/890616197.db2.gz CPVINKYYGGWDAT-LJQANCHMSA-N 1 0 375.561 3.510 20 30 GHEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1nc2cc(C#N)c(C#N)cc2nc1Cl ZINC001170680657 890744336 /nfs/dbraw/zinc/74/43/36/890744336.db2.gz DTVAMFNFEBJNIT-LBPRGKRZSA-N 1 0 399.845 3.899 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000455401438 890892459 /nfs/dbraw/zinc/89/24/59/890892459.db2.gz MPFVQJGCRKCEAW-KRWDZBQOSA-N 1 0 386.540 3.653 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000812780713 890958573 /nfs/dbraw/zinc/95/85/73/890958573.db2.gz OXSNJIDRHCMTHI-DEOSSOPVSA-N 1 0 377.532 3.854 20 30 GHEDRO C[N@H+](CCCCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1CC1 ZINC000455492182 891017528 /nfs/dbraw/zinc/01/75/28/891017528.db2.gz XRPQQUNOLZQONV-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO C#C[C@@H](NC(=O)NCc1ccccc1OCC[NH+](CC)CC)c1ccc(F)cc1 ZINC000812875870 891056788 /nfs/dbraw/zinc/05/67/88/891056788.db2.gz YFQHPZYZSCWUEE-OAQYLSRUSA-N 1 0 397.494 3.720 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455546908 891136428 /nfs/dbraw/zinc/13/64/28/891136428.db2.gz RRTYPZRTHLQQPD-QGZVFWFLSA-N 1 0 380.467 3.503 20 30 GHEDRO C#C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812933752 891139215 /nfs/dbraw/zinc/13/92/15/891139215.db2.gz LXXWFGPIIGNJFN-KNQAVFIVSA-N 1 0 379.479 3.664 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872280454 891226148 /nfs/dbraw/zinc/22/61/48/891226148.db2.gz RFXXAZVMTLEPBT-RBUKOAKNSA-N 1 0 390.487 3.647 20 30 GHEDRO C[C@H](NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000428824736 891286375 /nfs/dbraw/zinc/28/63/75/891286375.db2.gz PJPDLVJMWKHGNE-QRVBRYPASA-N 1 0 398.551 3.540 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000872880681 891369441 /nfs/dbraw/zinc/36/94/41/891369441.db2.gz IVFJWWSOXBUGPL-UHFFFAOYSA-N 1 0 390.837 3.594 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cccc4ncccc34)CC2)c1 ZINC000873057650 891448283 /nfs/dbraw/zinc/44/82/83/891448283.db2.gz XCQFRAXXDRPSST-UHFFFAOYSA-N 1 0 399.498 3.570 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873310092 891575640 /nfs/dbraw/zinc/57/56/40/891575640.db2.gz NDUPQAROPYKDII-MAUKXSAKSA-N 1 0 380.517 3.917 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000497553893 891884905 /nfs/dbraw/zinc/88/49/05/891884905.db2.gz UYAUGOSVWBCBBK-IBGZPJMESA-N 1 0 377.577 3.918 20 30 GHEDRO CC[N@H+](CC(=O)N1CCCc2cc(OC)ccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594213 891956085 /nfs/dbraw/zinc/95/60/85/891956085.db2.gz SIJQEPIUKAEOJR-KRWDZBQOSA-N 1 0 377.488 3.929 20 30 GHEDRO CC[N@H+](CC(=O)NCc1cc(Cl)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599526 891979376 /nfs/dbraw/zinc/97/93/76/891979376.db2.gz FMFCLGDPTNGYPE-HNNXBMFYSA-N 1 0 385.895 3.920 20 30 GHEDRO N#CCCOc1ccc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)cc1 ZINC001170719207 892173675 /nfs/dbraw/zinc/17/36/75/892173675.db2.gz WYMOMZRHPBHTFC-AQYVVDRMSA-N 1 0 382.552 3.730 20 30 GHEDRO C#CCN(C(=O)c1c(C)n(CCC)c2ccc(OC)cc21)C1CC[NH+](C)CC1 ZINC001134044419 892207078 /nfs/dbraw/zinc/20/70/78/892207078.db2.gz WOVRNGWPXVJQMM-UHFFFAOYSA-N 1 0 381.520 3.538 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(CSc2nc(C)cs2)cc1 ZINC000729808662 892218714 /nfs/dbraw/zinc/21/87/14/892218714.db2.gz DXBASKOIFZVHHE-SFHVURJKSA-N 1 0 386.542 3.998 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814176551 892335699 /nfs/dbraw/zinc/33/56/99/892335699.db2.gz RSZNLHAFXRADPC-CTNGQTDRSA-N 1 0 384.520 3.920 20 30 GHEDRO C#CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814176553 892336368 /nfs/dbraw/zinc/33/63/68/892336368.db2.gz RSZNLHAFXRADPC-PZJWPPBQSA-N 1 0 384.520 3.920 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1cccc(CO)c1 ZINC000154474769 892343735 /nfs/dbraw/zinc/34/37/35/892343735.db2.gz HMSCBRBWHMKIQX-KRWDZBQOSA-O 1 0 399.580 3.992 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000497819164 892498934 /nfs/dbraw/zinc/49/89/34/892498934.db2.gz YWNKEVKEKQHWLV-UGKGYDQZSA-N 1 0 381.520 3.930 20 30 GHEDRO COC(=O)c1cccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C#N ZINC000533760727 892841873 /nfs/dbraw/zinc/84/18/73/892841873.db2.gz JKWSIGHOCASGRX-UHFFFAOYSA-N 1 0 391.515 3.689 20 30 GHEDRO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCC[C@@]4(C3)COCCN(c3cccc(C#N)c3)C4)C[C@@H]21 ZINC001170753090 892914114 /nfs/dbraw/zinc/91/41/14/892914114.db2.gz ZZLWTRXMCBERTO-KHUIQGCPSA-N 1 0 379.548 3.912 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000876069300 892943303 /nfs/dbraw/zinc/94/33/03/892943303.db2.gz CLEREFWGFHHBEL-IBGZPJMESA-N 1 0 390.531 3.924 20 30 GHEDRO C#CCOc1cccc(Cl)c1CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000778169508 893029051 /nfs/dbraw/zinc/02/90/51/893029051.db2.gz USJZRHOEAFFLOU-UHFFFAOYSA-N 1 0 384.907 3.921 20 30 GHEDRO O=C(CC[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1c(Cl)cccc1Cl ZINC000933649186 893115104 /nfs/dbraw/zinc/11/51/04/893115104.db2.gz APTCRPLHKGUXEZ-UHFFFAOYSA-N 1 0 383.275 3.660 20 30 GHEDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+](C)C)cc1 ZINC001134686397 893199752 /nfs/dbraw/zinc/19/97/52/893199752.db2.gz JFCDEFKDCRMYSI-OAQYLSRUSA-N 1 0 378.520 3.586 20 30 GHEDRO Cc1nn(-c2ccccc2)c2nc(Cl)c(C=NNCC[NH+]3CCCCC3)cc12 ZINC000814808808 893220489 /nfs/dbraw/zinc/22/04/89/893220489.db2.gz STPRUZQGGSOIKO-UHFFFAOYSA-N 1 0 396.926 3.792 20 30 GHEDRO CSC1(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[NH+](C)CC1 ZINC000455762878 893228245 /nfs/dbraw/zinc/22/82/45/893228245.db2.gz BVZOWJJXXZJFOK-UHFFFAOYSA-N 1 0 390.553 3.684 20 30 GHEDRO C#Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001134711599 893237089 /nfs/dbraw/zinc/23/70/89/893237089.db2.gz ALWXBKYBNGGQRL-BJKOFHAPSA-N 1 0 381.479 3.917 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 ZINC000876583193 893238288 /nfs/dbraw/zinc/23/82/88/893238288.db2.gz HKBSCEWQHJANBK-BLLLJJGKSA-N 1 0 384.307 3.763 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 ZINC000876583194 893238405 /nfs/dbraw/zinc/23/84/05/893238405.db2.gz HKBSCEWQHJANBK-LRDDRELGSA-N 1 0 384.307 3.763 20 30 GHEDRO CC(N=Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccc(C[NH+](C)C)cc1 ZINC000814858093 893239603 /nfs/dbraw/zinc/23/96/03/893239603.db2.gz KVADRQYHMUWYFY-UHFFFAOYSA-N 1 0 386.503 3.925 20 30 GHEDRO C=C(C)CN1CCC([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000562985891 893245580 /nfs/dbraw/zinc/24/55/80/893245580.db2.gz UWXLWEZMVOROFO-XMMPIXPASA-N 1 0 394.559 3.784 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000876648073 893271586 /nfs/dbraw/zinc/27/15/86/893271586.db2.gz MNPJSVFXLJSCLK-KBPBESRZSA-N 1 0 379.888 3.913 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000498116265 893314087 /nfs/dbraw/zinc/31/40/87/893314087.db2.gz XZPCAAOIRMCQRX-QFIPXVFZSA-N 1 0 397.519 3.865 20 30 GHEDRO CN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455793711 893379662 /nfs/dbraw/zinc/37/96/62/893379662.db2.gz SAJLMRBRDGVGCP-QGZVFWFLSA-N 1 0 383.883 3.735 20 30 GHEDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000778223116 893401128 /nfs/dbraw/zinc/40/11/28/893401128.db2.gz INJCNVOOTHYLNH-AWEZNQCLSA-N 1 0 379.888 3.589 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000877042424 893454643 /nfs/dbraw/zinc/45/46/43/893454643.db2.gz QUIYPGVKOZFUFE-IEBWSBKVSA-N 1 0 387.524 3.941 20 30 GHEDRO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]3O2)n1 ZINC001137115626 893466697 /nfs/dbraw/zinc/46/66/97/893466697.db2.gz YOOYIIPDPUPZGM-YUXAGFNASA-N 1 0 392.503 3.854 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000563236517 893508822 /nfs/dbraw/zinc/50/88/22/893508822.db2.gz UFZNUOJUFGCERR-FCHUYYIVSA-N 1 0 391.540 3.892 20 30 GHEDRO CC(=O)[C@@](C#N)(CCOC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccccc1 ZINC000923836224 893603449 /nfs/dbraw/zinc/60/34/49/893603449.db2.gz YYZDABKIZXYSCL-QHCPKHFHSA-N 1 0 394.471 3.863 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3ccc(OCC#N)cc3)C1)C2 ZINC001137121309 893649935 /nfs/dbraw/zinc/64/99/35/893649935.db2.gz CVNYOJCEXHLPJH-HYBUGGRVSA-N 1 0 390.483 3.684 20 30 GHEDRO C=CCC1([NH2+]Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)CCOCC1 ZINC000877628913 893730426 /nfs/dbraw/zinc/73/04/26/893730426.db2.gz NVNTUUGPYIYGLP-UHFFFAOYSA-N 1 0 379.501 3.649 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[C@H]1OCCc2sccc21)C(C)C ZINC000556128109 893857286 /nfs/dbraw/zinc/85/72/86/893857286.db2.gz ZWNFJXCRWYSTNC-YVWKXTFCSA-N 1 0 376.566 3.813 20 30 GHEDRO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000877915388 893892884 /nfs/dbraw/zinc/89/28/84/893892884.db2.gz FQQXQZKPZDKBKL-HSZRJFAPSA-N 1 0 380.488 3.966 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(OC)c(Cl)cc3F)CC2)C1=O ZINC001275421938 913816628 /nfs/dbraw/zinc/81/66/28/913816628.db2.gz PVLIUSISIFQIDG-HXUWFJFHSA-N 1 0 380.891 3.878 20 30 GHEDRO COc1ccc(OC2CC[NH+](CC[C@@](C#N)(C(C)=O)c3ccccc3)CC2)cc1 ZINC000877972293 893920869 /nfs/dbraw/zinc/92/08/69/893920869.db2.gz YYHLWOKKFAMAHP-XMMPIXPASA-N 1 0 392.499 3.979 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000498290763 893938288 /nfs/dbraw/zinc/93/82/88/893938288.db2.gz LMUGPOSGMUPKCK-KDURUIRLSA-N 1 0 394.515 3.791 20 30 GHEDRO COCCSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000537104914 894316935 /nfs/dbraw/zinc/31/69/35/894316935.db2.gz AXPZLGUCNNXUNW-MRXNPFEDSA-N 1 0 383.517 3.976 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccccc1 ZINC000878636395 894473350 /nfs/dbraw/zinc/47/33/50/894473350.db2.gz HRVRDUHZRQWXTB-RPBOFIJWSA-N 1 0 390.527 3.744 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000878695314 894517667 /nfs/dbraw/zinc/51/76/67/894517667.db2.gz RDCKTYZOZBJTFJ-FQEVSTJZSA-N 1 0 395.469 3.776 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C1CCOCC1 ZINC000537217849 894581931 /nfs/dbraw/zinc/58/19/31/894581931.db2.gz AELCOTQEPZNCCN-LJQANCHMSA-N 1 0 377.916 3.690 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)/C=C\C(=O)c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC001135450725 894604866 /nfs/dbraw/zinc/60/48/66/894604866.db2.gz KBFZBFUIUJKIBV-KCNXZKISSA-N 1 0 392.499 3.696 20 30 GHEDRO CCc1ccc(C#CC(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)cc1 ZINC000816697831 895027154 /nfs/dbraw/zinc/02/71/54/895027154.db2.gz VSMACMMNOFMOCS-UHFFFAOYSA-N 1 0 377.488 3.520 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000564593828 895106910 /nfs/dbraw/zinc/10/69/10/895106910.db2.gz SWVVWVBSKNSADN-AQNXPRMDSA-N 1 0 399.579 3.642 20 30 GHEDRO COC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Br)c1 ZINC000879662097 895211340 /nfs/dbraw/zinc/21/13/40/895211340.db2.gz QLSRBUAAAFJKKD-GOSISDBHSA-N 1 0 375.266 3.829 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879670276 895219333 /nfs/dbraw/zinc/21/93/33/895219333.db2.gz NJJVGOXDEDMKKG-RRFJBIMHSA-N 1 0 386.377 3.710 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cc1ccccc1 ZINC001135851840 895413583 /nfs/dbraw/zinc/41/35/83/895413583.db2.gz UESFUBIUBJKVPS-OAQYLSRUSA-N 1 0 393.531 3.785 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000880100740 895514559 /nfs/dbraw/zinc/51/45/59/895514559.db2.gz PIZXICQOKWUIQJ-AWEZNQCLSA-N 1 0 376.382 3.698 20 30 GHEDRO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880285933 895618649 /nfs/dbraw/zinc/61/86/49/895618649.db2.gz OYFQHZWKPOMZCI-IRXDYDNUSA-N 1 0 378.463 3.604 20 30 GHEDRO CC1(C)[C@H](c2ccccc2Cl)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000880288233 895619731 /nfs/dbraw/zinc/61/97/31/895619731.db2.gz XWXQZRFPRVEJOK-AEFFLSMTSA-N 1 0 376.928 3.979 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCCOC1 ZINC000880468734 895721130 /nfs/dbraw/zinc/72/11/30/895721130.db2.gz GIWIBCMZGSFCKJ-BBWFWOEESA-N 1 0 375.538 3.672 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCCOC1 ZINC000880468415 895721464 /nfs/dbraw/zinc/72/14/64/895721464.db2.gz DAJBCAIFPNHCJS-ULQDDVLXSA-N 1 0 375.538 3.814 20 30 GHEDRO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000880518189 895738164 /nfs/dbraw/zinc/73/81/64/895738164.db2.gz CDOHWDGHIMJDKH-QNBRMCRTSA-N 1 0 397.910 3.684 20 30 GHEDRO CN(C(=O)Nc1cc(C#N)c(F)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000880716027 895827295 /nfs/dbraw/zinc/82/72/95/895827295.db2.gz LTQWJBONXUTHGC-UHFFFAOYSA-N 1 0 384.430 3.965 20 30 GHEDRO COc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1C#N ZINC000880877234 895957849 /nfs/dbraw/zinc/95/78/49/895957849.db2.gz CPUPGDKXWKNXSR-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)[C@@H](C)C1 ZINC000880926559 896003575 /nfs/dbraw/zinc/00/35/75/896003575.db2.gz ACLCUTUHRUCETR-RRQGHBQHSA-N 1 0 382.430 3.533 20 30 GHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000880926652 896004052 /nfs/dbraw/zinc/00/40/52/896004052.db2.gz BJJLGJKSJTVETK-QGZVFWFLSA-N 1 0 394.397 3.528 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)ccc1OC ZINC000818186403 896068505 /nfs/dbraw/zinc/06/85/05/896068505.db2.gz GMDHBCCTIAASEH-HNNXBMFYSA-N 1 0 390.386 3.987 20 30 GHEDRO C=CCn1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)nn1 ZINC000818224515 896088838 /nfs/dbraw/zinc/08/88/38/896088838.db2.gz LQNCNOGBKZXXAE-UYAOXDASSA-N 1 0 397.523 3.695 20 30 GHEDRO C=CCn1cc(C[NH2+][C@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)nn1 ZINC000818348156 896115516 /nfs/dbraw/zinc/11/55/16/896115516.db2.gz ZOXLLPMJRFKBEC-AEFFLSMTSA-N 1 0 377.533 3.512 20 30 GHEDRO CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881143298 896194953 /nfs/dbraw/zinc/19/49/53/896194953.db2.gz NZFVYSPYCXNRGX-LJQANCHMSA-N 1 0 381.455 3.588 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000566499188 896341902 /nfs/dbraw/zinc/34/19/02/896341902.db2.gz WLZKLDUFZSFWGE-GMAHTHKFSA-N 1 0 396.556 3.890 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000881628532 896403270 /nfs/dbraw/zinc/40/32/70/896403270.db2.gz VDERRWYSMPPDOH-UHFFFAOYSA-N 1 0 391.519 3.615 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000819152820 896408975 /nfs/dbraw/zinc/40/89/75/896408975.db2.gz CHEKLXNTHVDEGA-GHTZIAJQSA-N 1 0 378.472 3.528 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000566735192 896532711 /nfs/dbraw/zinc/53/27/11/896532711.db2.gz BPGSTGFOHSMKBX-LMMKCTJWSA-N 1 0 387.549 3.768 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000065511942 896609243 /nfs/dbraw/zinc/60/92/43/896609243.db2.gz XXWABYITTCPXRO-VQTJNVASSA-N 1 0 384.907 3.853 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)[C@@H](c2cnn(C)c2)C1 ZINC000882309170 896751627 /nfs/dbraw/zinc/75/16/27/896751627.db2.gz SCHHLMHAACBGIC-FCHUYYIVSA-N 1 0 391.519 3.622 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 ZINC000129577390 896753970 /nfs/dbraw/zinc/75/39/70/896753970.db2.gz LREANKJIPPRBMN-QFIPXVFZSA-N 1 0 396.918 3.899 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)c(OC)c1 ZINC000566968624 896754815 /nfs/dbraw/zinc/75/48/15/896754815.db2.gz BQFCIUDITDESEV-GPMSIDNRSA-N 1 0 389.442 3.587 20 30 GHEDRO N#Cc1cc(F)c(NC2CC[NH+](Cc3cccnc3)CC2)cc1Br ZINC000567407986 897129169 /nfs/dbraw/zinc/12/91/69/897129169.db2.gz RLYILKHOTJQGOC-UHFFFAOYSA-N 1 0 389.272 3.931 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000778585713 897136194 /nfs/dbraw/zinc/13/61/94/897136194.db2.gz WGLSDVGAPUZECF-WBVHZDCISA-N 1 0 390.524 3.864 20 30 GHEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000883125263 897302636 /nfs/dbraw/zinc/30/26/36/897302636.db2.gz DIXINFMNCFCLPK-LJQANCHMSA-N 1 0 381.476 3.569 20 30 GHEDRO C#C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000820577963 897403736 /nfs/dbraw/zinc/40/37/36/897403736.db2.gz CNFRDXFHEUYAHX-FQEVSTJZSA-N 1 0 385.895 3.913 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000567795718 897403719 /nfs/dbraw/zinc/40/37/19/897403719.db2.gz KFQKLEFNEGMONC-UYAOXDASSA-N 1 0 383.540 3.518 20 30 GHEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000567892374 897472702 /nfs/dbraw/zinc/47/27/02/897472702.db2.gz UQDJVZNAUSZQGK-FPMFFAJLSA-N 1 0 387.705 3.514 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1F ZINC000820731662 897499906 /nfs/dbraw/zinc/49/99/06/897499906.db2.gz UXNWRVBYXLAKNI-IBGZPJMESA-N 1 0 377.891 3.813 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000883623899 897767480 /nfs/dbraw/zinc/76/74/80/897767480.db2.gz INKPQHUINMJOOP-PXNSSMCTSA-N 1 0 393.478 3.525 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cnc3cccc(C)n23)CC1 ZINC001137197593 898008335 /nfs/dbraw/zinc/00/83/35/898008335.db2.gz AHRLSAXHJWRBIO-UHFFFAOYSA-N 1 0 376.460 3.566 20 30 GHEDRO C[C@]1(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000822293480 898289895 /nfs/dbraw/zinc/28/98/95/898289895.db2.gz ZGEXOHNDEKVDDR-SFHVURJKSA-N 1 0 380.319 3.567 20 30 GHEDRO C#CCO[C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000822355458 898345946 /nfs/dbraw/zinc/34/59/46/898345946.db2.gz PPCARYQXWGCWPV-IBGZPJMESA-N 1 0 376.500 3.604 20 30 GHEDRO COCCC[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000108528592 898387356 /nfs/dbraw/zinc/38/73/56/898387356.db2.gz XLZOMDLZJOJZBA-INIZCTEOSA-N 1 0 390.553 3.561 20 30 GHEDRO CCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000133428130 898398337 /nfs/dbraw/zinc/39/83/37/898398337.db2.gz RVJMRCHBLIIFRE-UHFFFAOYSA-O 1 0 399.536 3.607 20 30 GHEDRO COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2)c1 ZINC000569293470 898514284 /nfs/dbraw/zinc/51/42/84/898514284.db2.gz COYFSQLXWMZMMK-INIZCTEOSA-N 1 0 375.394 3.954 20 30 GHEDRO N#CCSCCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000822815280 898649497 /nfs/dbraw/zinc/64/94/97/898649497.db2.gz NYUNLPPEDSVZHD-UHFFFAOYSA-N 1 0 396.495 3.655 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cccc(C(=O)OC)c2)C(=S)NC(C)(C)C)cc1 ZINC000133574042 898682934 /nfs/dbraw/zinc/68/29/34/898682934.db2.gz QDOWOUSRQIXCTD-UHFFFAOYSA-O 1 0 399.536 3.650 20 30 GHEDRO O=C(OC[C@@H](F)C(F)(F)F)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000800164825 898692192 /nfs/dbraw/zinc/69/21/92/898692192.db2.gz ALXYMBACESKSRR-TZMCWYRMSA-N 1 0 387.295 3.885 20 30 GHEDRO N#C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000569472124 898695650 /nfs/dbraw/zinc/69/56/50/898695650.db2.gz WTIMCOLMIAJURG-SJORKVTESA-N 1 0 397.466 3.604 20 30 GHEDRO COc1ccccc1Oc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884063037 898738543 /nfs/dbraw/zinc/73/85/43/898738543.db2.gz KSRHGGNAIZEXAR-JXORXQGFSA-N 1 0 377.444 3.565 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)C2 ZINC000884094710 898855556 /nfs/dbraw/zinc/85/55/56/898855556.db2.gz SDPGJAFRFWZPPS-UZGQDQSDSA-N 1 0 379.891 3.685 20 30 GHEDRO Cc1cccc(COc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c(C)c2)c1 ZINC000884124317 898979866 /nfs/dbraw/zinc/97/98/66/898979866.db2.gz UQHNVDSNVLEVCO-ITGJCUMNSA-N 1 0 389.499 3.960 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)[C@@H](C#N)CCc3ccccc3)CCCCC2)CCO1 ZINC001136727758 899054682 /nfs/dbraw/zinc/05/46/82/899054682.db2.gz YCLUIKDUDMSSJI-OAQYLSRUSA-N 1 0 397.563 3.689 20 30 GHEDRO CSC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000331892810 899246972 /nfs/dbraw/zinc/24/69/72/899246972.db2.gz DYTAXCFVBUICGE-AWEZNQCLSA-N 1 0 377.579 3.902 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c(-c2ccccc2)nc2ccc(C)cn21 ZINC001186177869 914343693 /nfs/dbraw/zinc/34/36/93/914343693.db2.gz BNJBTVFBYARXFG-FQEVSTJZSA-N 1 0 388.515 3.619 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)N(CC[NH+]3CCCCCC3)C3CCC3)n2)c1 ZINC000570604895 899430200 /nfs/dbraw/zinc/43/02/00/899430200.db2.gz VVFRPWWDAMZBFS-UHFFFAOYSA-N 1 0 391.519 3.615 20 30 GHEDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000824501367 899668246 /nfs/dbraw/zinc/66/82/46/899668246.db2.gz IZCBNDRDGLJEFC-KRWDZBQOSA-N 1 0 386.540 3.810 20 30 GHEDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000134237004 899799202 /nfs/dbraw/zinc/79/92/02/899799202.db2.gz WNPILLBEKJFKTN-YBOAYWMSSA-N 1 0 398.466 3.548 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]Cc3ccc(COCc4ccccc4)cc3)cnc12 ZINC000571302652 899820359 /nfs/dbraw/zinc/82/03/59/899820359.db2.gz RRGSFPYOIBBSGR-UHFFFAOYSA-N 1 0 383.455 3.608 20 30 GHEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000332675482 899844420 /nfs/dbraw/zinc/84/44/20/899844420.db2.gz NZHIROVTCJKVIQ-GJZGRUSLSA-N 1 0 382.386 3.547 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C12CCCC2 ZINC000333038260 899911804 /nfs/dbraw/zinc/91/18/04/899911804.db2.gz BYTVEUXWVUWDGC-MORSLUCNSA-N 1 0 387.549 3.763 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)C3(C#N)CCSCC3)sc2c1)C1CC1 ZINC000825003697 899914307 /nfs/dbraw/zinc/91/43/07/899914307.db2.gz MXJMJLXIZODLSZ-UHFFFAOYSA-N 1 0 386.546 3.866 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000571784238 899969678 /nfs/dbraw/zinc/96/96/78/899969678.db2.gz QWTSJSKQRUQYEC-LJQANCHMSA-N 1 0 399.292 3.785 20 30 GHEDRO O=C(C#Cc1cccs1)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000825221613 900033690 /nfs/dbraw/zinc/03/36/90/900033690.db2.gz UCRVWPZGGWJKHA-UHFFFAOYSA-N 1 0 381.501 3.553 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000825257042 900054059 /nfs/dbraw/zinc/05/40/59/900054059.db2.gz RPSJOQBZTJGTBH-OALUTQOASA-N 1 0 386.540 3.819 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000825257043 900054574 /nfs/dbraw/zinc/05/45/74/900054574.db2.gz RPSJOQBZTJGTBH-RBUKOAKNSA-N 1 0 386.540 3.819 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000135261624 900211093 /nfs/dbraw/zinc/21/10/93/900211093.db2.gz MQDUDLUNDMNZFX-UHFFFAOYSA-N 1 0 382.439 3.646 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000135309677 900219867 /nfs/dbraw/zinc/21/98/67/900219867.db2.gz JDFNBVZAGIUJOY-LJQANCHMSA-N 1 0 382.439 3.687 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2c(Cl)cccc2C#N)CC3)cn1 ZINC001143723985 900443966 /nfs/dbraw/zinc/44/39/66/900443966.db2.gz LHDNQYZVGQAQBV-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1 ZINC000573360119 900476671 /nfs/dbraw/zinc/47/66/71/900476671.db2.gz FODXFLBMCULTLM-QGZVFWFLSA-N 1 0 386.455 3.713 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCCOC2)O1 ZINC000573749010 900612003 /nfs/dbraw/zinc/61/20/03/900612003.db2.gz ZOCHOFQLHSSDIG-DVECYGJZSA-N 1 0 392.499 3.907 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001143876337 900659358 /nfs/dbraw/zinc/65/93/58/900659358.db2.gz FIOBRVIUWSEUQA-IBGZPJMESA-N 1 0 387.524 3.733 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000844317738 900725588 /nfs/dbraw/zinc/72/55/88/900725588.db2.gz JRSYJWPMRICYBK-PBHICJAKSA-N 1 0 388.468 3.592 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000574121318 900782339 /nfs/dbraw/zinc/78/23/39/900782339.db2.gz CDRCQQXBWGBITG-RXVVDRJESA-N 1 0 385.895 3.634 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCC2)ccc1OCc1ccncc1 ZINC000886107510 900789164 /nfs/dbraw/zinc/78/91/64/900789164.db2.gz STHOUSWOIHXZIR-PXNSSMCTSA-N 1 0 395.503 3.765 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCNC(=O)c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000574489865 900904732 /nfs/dbraw/zinc/90/47/32/900904732.db2.gz YAAMDNFBSZUJLQ-UHFFFAOYSA-N 1 0 379.357 3.626 20 30 GHEDRO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)O2)[C@H]1C ZINC000886341350 900941999 /nfs/dbraw/zinc/94/19/99/900941999.db2.gz UHXUQJDHBUMZHV-ZVEOBBNSSA-N 1 0 394.519 3.526 20 30 GHEDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000574680108 900970106 /nfs/dbraw/zinc/97/01/06/900970106.db2.gz SOSSMWCTHWMRMU-UHFFFAOYSA-N 1 0 382.407 3.660 20 30 GHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1ccc(CCC#N)cc1 ZINC000886399326 900978217 /nfs/dbraw/zinc/97/82/17/900978217.db2.gz QPOHCXOAULBYQC-UHFFFAOYSA-N 1 0 383.517 3.848 20 30 GHEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc(OC)c1OC ZINC000067120587 901041089 /nfs/dbraw/zinc/04/10/89/901041089.db2.gz TVWAQHBJMNCBSR-INIZCTEOSA-N 1 0 383.492 3.913 20 30 GHEDRO CCOc1ccc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000844595993 901061049 /nfs/dbraw/zinc/06/10/49/901061049.db2.gz DNORIKRPVSTBSS-UHFFFAOYSA-N 1 0 394.544 3.908 20 30 GHEDRO C#CCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C1CC[NH+](C)CC1 ZINC000886583339 901176200 /nfs/dbraw/zinc/17/62/00/901176200.db2.gz MFXOXNKNKJKWBG-UHFFFAOYSA-N 1 0 393.965 3.624 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc4cc[nH]c4n3)C[C@@H]2c2ccccc2)C1=O ZINC001144172010 901187486 /nfs/dbraw/zinc/18/74/86/901187486.db2.gz TYTZXISWPSOORA-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000844713691 901193821 /nfs/dbraw/zinc/19/38/21/901193821.db2.gz DIVFJYDIVBPMFH-ARFHVFGLSA-N 1 0 382.895 3.730 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)cc2n1 ZINC000886647645 901206565 /nfs/dbraw/zinc/20/65/65/901206565.db2.gz WPDAEZJFXGQMJS-UHFFFAOYSA-N 1 0 375.476 3.781 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000575400338 901224248 /nfs/dbraw/zinc/22/42/48/901224248.db2.gz IIFJAUKWWJMOQD-FQEVSTJZSA-N 1 0 393.535 3.637 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000047010351 901233553 /nfs/dbraw/zinc/23/35/53/901233553.db2.gz JZSZGMSNTJNTQK-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C(F)(F)c3ccccc3F)CC2)c1 ZINC000844782166 901265975 /nfs/dbraw/zinc/26/59/75/901265975.db2.gz OQBXVRWZSYAZPD-UHFFFAOYSA-N 1 0 387.405 3.570 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C1CCC(CO)CC1 ZINC000089924735 901428138 /nfs/dbraw/zinc/42/81/38/901428138.db2.gz ZVLCQAXPVIGNJR-GTPINHCMSA-N 1 0 375.538 3.502 20 30 GHEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cccc(C#N)c1 ZINC000290127771 914536415 /nfs/dbraw/zinc/53/64/15/914536415.db2.gz LJKBSNWABZUXSM-KKSFZXQISA-N 1 0 375.472 3.569 20 30 GHEDRO N#CCCn1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000093563688 901554736 /nfs/dbraw/zinc/55/47/36/901554736.db2.gz VWGLHUQYAJMPAG-QFIPXVFZSA-N 1 0 377.536 3.914 20 30 GHEDRO CCc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001144321218 901730015 /nfs/dbraw/zinc/73/00/15/901730015.db2.gz CXTABWFLTPZQCW-XMMPIXPASA-N 1 0 390.531 3.635 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576226744 901841443 /nfs/dbraw/zinc/84/14/43/901841443.db2.gz VGGCDKKHMUXKFC-QGZVFWFLSA-N 1 0 393.457 3.670 20 30 GHEDRO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(C#N)c1C ZINC000333383427 902053108 /nfs/dbraw/zinc/05/31/08/902053108.db2.gz BFXLABRFMAQRNX-KBAYOESNSA-N 1 0 375.538 3.581 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000124544147 902082497 /nfs/dbraw/zinc/08/24/97/902082497.db2.gz GGLVIYAOPQMDEH-UTKZUKDTSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001171186684 902196357 /nfs/dbraw/zinc/19/63/57/902196357.db2.gz YLBBPBHXLHXZGX-RHSMWYFYSA-N 1 0 379.451 3.724 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000125716525 902242180 /nfs/dbraw/zinc/24/21/80/902242180.db2.gz SCNNDRKPXCGYBQ-ICSRJNTNSA-N 1 0 392.434 3.660 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1C ZINC000576868359 902317511 /nfs/dbraw/zinc/31/75/11/902317511.db2.gz UUSKZAOSVNFIHE-HSZRJFAPSA-N 1 0 395.547 3.831 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccc(OC)cc4)C3=O)C2)cc1 ZINC001144569488 902401063 /nfs/dbraw/zinc/40/10/63/902401063.db2.gz SCFOBWKQRIWJQT-RUZDIDTESA-N 1 0 388.511 3.691 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC)c2ccccc2O3)cc1 ZINC001144573244 902405308 /nfs/dbraw/zinc/40/53/08/902405308.db2.gz FDTSSYLOFSIXIY-OAQYLSRUSA-N 1 0 388.511 3.705 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000047914827 902614962 /nfs/dbraw/zinc/61/49/62/902614962.db2.gz ZBDJPAQDAVBDTB-UWJYYQICSA-N 1 0 392.503 3.764 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC2CCOCC2)cc1 ZINC000263904078 902666009 /nfs/dbraw/zinc/66/60/09/902666009.db2.gz DMPKNSZRNGDWTE-UHFFFAOYSA-O 1 0 397.564 3.861 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](CC)CC1 ZINC000577326524 902682657 /nfs/dbraw/zinc/68/26/57/902682657.db2.gz NFLCIXIJVDDWIY-SFHVURJKSA-N 1 0 391.519 3.899 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](CC)CC1 ZINC000577326523 902682696 /nfs/dbraw/zinc/68/26/96/902682696.db2.gz NFLCIXIJVDDWIY-GOSISDBHSA-N 1 0 391.519 3.899 20 30 GHEDRO C[C@H](C#N)CN(C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000264039152 902796423 /nfs/dbraw/zinc/79/64/23/902796423.db2.gz FPJUKEKYGQTEEB-QGZVFWFLSA-N 1 0 385.512 3.515 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000600735131 902858129 /nfs/dbraw/zinc/85/81/29/902858129.db2.gz JZBAAYZSHQZTSO-BZUAXINKSA-N 1 0 383.319 3.900 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001171220603 902861262 /nfs/dbraw/zinc/86/12/62/902861262.db2.gz CNMVVVAUMPMDFH-QTGUNEKASA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001171221410 902889507 /nfs/dbraw/zinc/88/95/07/902889507.db2.gz MQIZLNWWJTXYOX-MWTRTKDXSA-N 1 0 395.453 3.896 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000264253830 902965895 /nfs/dbraw/zinc/96/58/95/902965895.db2.gz PEWOLHNPOOUDMB-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001171232654 903046759 /nfs/dbraw/zinc/04/67/59/903046759.db2.gz VARAGVUIKGUUQU-QGZVFWFLSA-N 1 0 387.487 3.647 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)s2)CC1 ZINC000264407098 903072622 /nfs/dbraw/zinc/07/26/22/903072622.db2.gz RWQNOBBTCVXREI-UHFFFAOYSA-N 1 0 386.359 3.693 20 30 GHEDRO CSc1ccc([C@H](CNc2ccc(C(F)(F)F)c(C#N)n2)[NH+](C)C)cc1 ZINC000577870033 903291966 /nfs/dbraw/zinc/29/19/66/903291966.db2.gz MUGNYZDRWJPPHX-INIZCTEOSA-N 1 0 380.439 3.831 20 30 GHEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000847027858 903407097 /nfs/dbraw/zinc/40/70/97/903407097.db2.gz DUADQWRHPVWLLP-CVEARBPZSA-N 1 0 381.501 3.673 20 30 GHEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000577994102 903424919 /nfs/dbraw/zinc/42/49/19/903424919.db2.gz XVLIKSVEDRBWQV-OFNKIYASSA-N 1 0 389.499 3.627 20 30 GHEDRO N#Cc1ccc(Oc2cccc(C(=O)NCC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000577998200 903430843 /nfs/dbraw/zinc/43/08/43/903430843.db2.gz ZLYMODMAQWBRRA-UHFFFAOYSA-N 1 0 375.472 3.955 20 30 GHEDRO N#Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc(C(F)(F)F)c1 ZINC001171274833 903473411 /nfs/dbraw/zinc/47/34/11/903473411.db2.gz OSSBCNCKIRPBGW-UHFFFAOYSA-N 1 0 385.393 3.942 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccc(F)c(C#N)c3)cc[nH+]2)CC1 ZINC001212836719 903507144 /nfs/dbraw/zinc/50/71/44/903507144.db2.gz AAZOKQLMZPCJQI-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO Cc1ccc(C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000303387772 914725290 /nfs/dbraw/zinc/72/52/90/914725290.db2.gz XONDBZNEAHOPDV-HXUWFJFHSA-N 1 0 392.547 3.880 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(OCC#N)c3)c(C)c2)CC1 ZINC000264989408 903537732 /nfs/dbraw/zinc/53/77/32/903537732.db2.gz KFYXUTCAFAWJGO-UHFFFAOYSA-N 1 0 393.491 3.683 20 30 GHEDRO C=CCNC(=[NH2+])NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000303365338 914730933 /nfs/dbraw/zinc/73/09/33/914730933.db2.gz GLPAGLZLDWHZMI-SFHVURJKSA-N 1 0 386.590 3.660 20 30 GHEDRO CSc1ccc([C@@H](CNC(=[NH2+])NC2CC2)N2CCc3sccc3C2)cc1 ZINC000303385343 914739757 /nfs/dbraw/zinc/73/97/57/914739757.db2.gz VLIJEMRFRPLZIW-GOSISDBHSA-N 1 0 386.590 3.636 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000772983118 903853800 /nfs/dbraw/zinc/85/38/00/903853800.db2.gz JEJNTKFXTRGVPU-HNAYVOBHSA-N 1 0 387.505 3.590 20 30 GHEDRO CCc1cc(NC(=O)c2ccc(CC[NH+]3CCCC3)nc2)cc(CC)c1C#N ZINC001147973617 903924059 /nfs/dbraw/zinc/92/40/59/903924059.db2.gz RGNIHIPPUWOLNL-UHFFFAOYSA-N 1 0 376.504 3.969 20 30 GHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(SC2CCCC2)cc1 ZINC000772984900 903979132 /nfs/dbraw/zinc/97/91/32/903979132.db2.gz PAJCJBSYAYSTRD-IWKHNONTSA-N 1 0 385.533 3.898 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(-n3cc4ccc(C[NH3+])cc4n3)nn2)c1 ZINC001171321351 903990015 /nfs/dbraw/zinc/99/00/15/903990015.db2.gz LTSMGJRPPKBZBT-UHFFFAOYSA-N 1 0 394.360 3.832 20 30 GHEDRO C=CCOc1ccc(C(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)cc1 ZINC001148463451 904077958 /nfs/dbraw/zinc/07/79/58/904077958.db2.gz GLXGAVIRCHTXDI-UHFFFAOYSA-N 1 0 388.471 3.593 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750532 904095859 /nfs/dbraw/zinc/09/58/59/904095859.db2.gz PSJXMENRJQHCKK-OAQYLSRUSA-N 1 0 377.488 3.800 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000151280668 904099861 /nfs/dbraw/zinc/09/98/61/904099861.db2.gz ARYIPNVCVSIUPJ-KRWDZBQOSA-N 1 0 387.911 3.900 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000578801750 904131598 /nfs/dbraw/zinc/13/15/98/904131598.db2.gz UDQFHTAMYHYVJC-UKILVPOCSA-N 1 0 387.527 3.884 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccc([C@@H](C)C#N)c1)[C@H]2C ZINC001148614316 904139570 /nfs/dbraw/zinc/13/95/70/904139570.db2.gz RCWVLXLECYNCLH-IRXDYDNUSA-N 1 0 379.508 3.567 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)c(C)c2)CC1 ZINC000151465213 904140217 /nfs/dbraw/zinc/14/02/17/904140217.db2.gz KEWUXBYYBSFEPI-UHFFFAOYSA-N 1 0 384.430 3.539 20 30 GHEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccc(OC(F)(F)F)cc1 ZINC001148675295 904151982 /nfs/dbraw/zinc/15/19/82/904151982.db2.gz SOMXFBKQBCHDSJ-INIZCTEOSA-N 1 0 393.365 3.769 20 30 GHEDRO CC(C)Oc1ccc(C(=O)N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1C#N ZINC001148778857 904187858 /nfs/dbraw/zinc/18/78/58/904187858.db2.gz BWUWJAFJHYRCDS-MEMLXQNLSA-N 1 0 392.503 3.653 20 30 GHEDRO C#CCSCC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779117125 904296742 /nfs/dbraw/zinc/29/67/42/904296742.db2.gz PNXINCZQUPVDIA-LJQANCHMSA-N 1 0 393.961 3.789 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4c(F)cc(F)cc4C3)CC2)cc1 ZINC001171354544 904345967 /nfs/dbraw/zinc/34/59/67/904345967.db2.gz LVBGJNMUIRVQCN-HXUWFJFHSA-N 1 0 395.453 3.588 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2C2CC2)cc1 ZINC000579366942 904545427 /nfs/dbraw/zinc/54/54/27/904545427.db2.gz ZJOGBEAKHFZBCQ-RXVVDRJESA-N 1 0 388.519 3.605 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccn(-c3ccccc3)n2)c1 ZINC000104175906 904547327 /nfs/dbraw/zinc/54/73/27/904547327.db2.gz NIEWPAXSQFIYIY-UHFFFAOYSA-N 1 0 379.464 3.597 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccc(F)cc3)CCOCC2)cc1Cl ZINC000104179139 904549042 /nfs/dbraw/zinc/54/90/42/904549042.db2.gz XZIHJBRZGQSMAR-UHFFFAOYSA-N 1 0 391.874 3.963 20 30 GHEDRO CCCN(C(=O)CC1(C#N)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889488219 904599385 /nfs/dbraw/zinc/59/93/85/904599385.db2.gz GHYKVYHEFOKEPG-UHFFFAOYSA-N 1 0 383.536 3.600 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@@H]1Oc1ccccc1 ZINC000187638889 904816225 /nfs/dbraw/zinc/81/62/25/904816225.db2.gz LHSXRISMAKZQRM-ZRBLBEILSA-N 1 0 379.504 3.751 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@@H]1Oc1ccccc1 ZINC000187638931 904816320 /nfs/dbraw/zinc/81/63/20/904816320.db2.gz LHSXRISMAKZQRM-ZLNRFVROSA-N 1 0 379.504 3.751 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000188054514 904865347 /nfs/dbraw/zinc/86/53/47/904865347.db2.gz PBEUKOOCBBXOSG-OXQOHEQNSA-N 1 0 383.517 3.965 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(OC)ccc3Cl)C2)C1 ZINC001137260290 904879834 /nfs/dbraw/zinc/87/98/34/904879834.db2.gz LOAOZLMDSMNOIR-FQEVSTJZSA-N 1 0 378.900 3.959 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN([C@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001171754984 904988430 /nfs/dbraw/zinc/98/84/30/904988430.db2.gz KYTAKHPVIFNAPW-KELGSRBJSA-N 1 0 384.564 3.723 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000509524798 905028785 /nfs/dbraw/zinc/02/87/85/905028785.db2.gz IWCJIXTZTFNYHO-GOSISDBHSA-N 1 0 385.527 3.945 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc(C3=NO[C@H]4C[NH2+]C[C@@H]34)n2)cc1 ZINC001212629848 905075731 /nfs/dbraw/zinc/07/57/31/905075731.db2.gz PCYWLFJCJYNYAV-MSOLQXFVSA-N 1 0 384.480 3.798 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(-c2ccccc2)n1 ZINC000290932053 914876352 /nfs/dbraw/zinc/87/63/52/914876352.db2.gz PBFFYIGYHHCQML-IBGZPJMESA-N 1 0 380.883 3.761 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000173694989 905095272 /nfs/dbraw/zinc/09/52/72/905095272.db2.gz WAUZIAYTUURTGY-INIZCTEOSA-N 1 0 383.517 3.812 20 30 GHEDRO CCC(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000626727119 905243058 /nfs/dbraw/zinc/24/30/58/905243058.db2.gz QXIIFGHTWXMXLD-UHFFFAOYSA-N 1 0 390.487 3.937 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172020478 905263029 /nfs/dbraw/zinc/26/30/29/905263029.db2.gz YVBDQZABAODUBE-VWNXMTODSA-N 1 0 399.538 3.972 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000174776570 905343893 /nfs/dbraw/zinc/34/38/93/905343893.db2.gz BIVKSCKIBUHDQD-GFCCVEGCSA-N 1 0 376.448 3.563 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2CC(=O)OC(C)(C)C)CC1 ZINC000174915767 905389410 /nfs/dbraw/zinc/38/94/10/905389410.db2.gz GTHURWUHLMUGBB-UHFFFAOYSA-N 1 0 387.524 3.733 20 30 GHEDRO C=C[C@@H]([NH2+][C@@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1)c1ccccc1 ZINC001172268424 905437638 /nfs/dbraw/zinc/43/76/38/905437638.db2.gz UDWAJZBXAPPJJW-FNAHDJPLSA-N 1 0 393.483 3.815 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1 ZINC000175122790 905455259 /nfs/dbraw/zinc/45/52/59/905455259.db2.gz ZQJYGVLDEHNIAU-UHFFFAOYSA-N 1 0 398.482 3.962 20 30 GHEDRO COC(=O)c1cccc(CN2CCC([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172300753 905455323 /nfs/dbraw/zinc/45/53/23/905455323.db2.gz YSBSBCDSSCZZCF-SFHVURJKSA-N 1 0 391.515 3.530 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001172304474 905459336 /nfs/dbraw/zinc/45/93/36/905459336.db2.gz NFILZVORBDJZQI-YLJYHZDGSA-N 1 0 395.478 3.726 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001172308892 905465406 /nfs/dbraw/zinc/46/54/06/905465406.db2.gz PPTLAGKWBYKXGH-DHJUGAMNSA-N 1 0 395.478 3.726 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001172307979 905465606 /nfs/dbraw/zinc/46/56/06/905465606.db2.gz RWDXRBDTCSVRAQ-HJPURHCSSA-N 1 0 395.453 3.896 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000190003482 905469623 /nfs/dbraw/zinc/46/96/23/905469623.db2.gz WDVFBNLNULORKZ-UHFFFAOYSA-N 1 0 386.540 3.916 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001172299600 905484010 /nfs/dbraw/zinc/48/40/10/905484010.db2.gz MCLRCIUDIOSZIV-JTSKRJEESA-N 1 0 383.923 3.806 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001172354509 905524963 /nfs/dbraw/zinc/52/49/63/905524963.db2.gz IJPALYVCIQHTTI-RBBKRZOGSA-N 1 0 390.572 3.523 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1Cc2c(-c3cnn(C)c3)nnn2C[C@@H]1COC ZINC001172359608 905528079 /nfs/dbraw/zinc/52/80/79/905528079.db2.gz YXDCEVAMIQOHGM-RTBURBONSA-N 1 0 388.560 3.648 20 30 GHEDRO CCCCCCC[C@@H](CC)N(C1CC[NH2+]CC1)S(=O)(=O)c1cccnc1 ZINC001172361915 905528879 /nfs/dbraw/zinc/52/88/79/905528879.db2.gz PBCLAKZSGFFNDB-GOSISDBHSA-N 1 0 381.586 3.963 20 30 GHEDRO CCCCCCC[C@H](CC)N(C1CC[NH2+]CC1)S(=O)(=O)c1ccccn1 ZINC001172361811 905529195 /nfs/dbraw/zinc/52/91/95/905529195.db2.gz OIMRWFKEVLPAKX-SFHVURJKSA-N 1 0 381.586 3.963 20 30 GHEDRO CCC[N@H+]([C@@H](C)CCCC#N)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001172507292 905603800 /nfs/dbraw/zinc/60/38/00/905603800.db2.gz SBIRWBXQLXIQKB-GJZGRUSLSA-N 1 0 379.526 3.965 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC000176802743 905935516 /nfs/dbraw/zinc/93/55/16/905935516.db2.gz FYAVDXCTRBJFSO-OAHLLOKOSA-N 1 0 389.496 3.579 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC2 ZINC001172962630 906022722 /nfs/dbraw/zinc/02/27/22/906022722.db2.gz ORMBREPGTSWTDA-AVRDEDQJSA-N 1 0 393.572 3.665 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC2 ZINC001172962634 906023106 /nfs/dbraw/zinc/02/31/06/906023106.db2.gz ORMBREPGTSWTDA-XMSQKQJNSA-N 1 0 393.572 3.665 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2c(C[NH3+])nc3ccc(Cl)cc32)C[C@H]1C#N ZINC001172971587 906035507 /nfs/dbraw/zinc/03/55/07/906035507.db2.gz QUFLFQYIPOJBCO-KBPBESRZSA-N 1 0 389.887 3.613 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)no2)C[C@H]1C#N ZINC001172972092 906035555 /nfs/dbraw/zinc/03/55/55/906035555.db2.gz WDGUAFFIUXLGFN-SJORKVTESA-N 1 0 382.464 3.723 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](NC(=[NH2+])c2ccc(F)c(Cl)c2)C[C@H]1C#N ZINC001172974048 906039111 /nfs/dbraw/zinc/03/91/11/906039111.db2.gz KJCMZYZLCDTSAC-OLZOCXBDSA-N 1 0 380.851 3.686 20 30 GHEDRO COc1ccccc1CC1([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172979220 906045382 /nfs/dbraw/zinc/04/53/82/906045382.db2.gz WFAOMXLGKQJFHC-ROUUACIJSA-N 1 0 385.508 3.652 20 30 GHEDRO CC(C)CC1(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCOCC1 ZINC001172978405 906046176 /nfs/dbraw/zinc/04/61/76/906046176.db2.gz PWPHFXXYOKNABI-ROUUACIJSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H]2COCc2ccccc2)C[C@H]1C#N ZINC001172986125 906052096 /nfs/dbraw/zinc/05/20/96/906052096.db2.gz URUYMADOGSKODH-AABGKKOBSA-N 1 0 385.508 3.569 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001173203701 906287075 /nfs/dbraw/zinc/28/70/75/906287075.db2.gz CRXQHYZMAJXPOI-ZNIKRAEXSA-N 1 0 381.520 3.912 20 30 GHEDRO CCCCCCCC[C@@H](CCC)[N@@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001173310854 906364510 /nfs/dbraw/zinc/36/45/10/906364510.db2.gz ZFSJEFFDSMQPOG-YADHBBJMSA-N 1 0 382.589 3.855 20 30 GHEDRO Cn1cc(C[NH2+]CCc2ccccc2OC(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000190881067 906377605 /nfs/dbraw/zinc/37/76/05/906377605.db2.gz KJWDOTXKHNOJTR-UHFFFAOYSA-N 1 0 382.414 3.892 20 30 GHEDRO C=CCOC1CCC([NH2+]C2CCN(Cc3cc(OC)ccc3F)CC2)CC1 ZINC001173316958 906389327 /nfs/dbraw/zinc/38/93/27/906389327.db2.gz PSNITAODISRQDN-UHFFFAOYSA-N 1 0 376.516 3.902 20 30 GHEDRO N#CCC1([NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC1 ZINC001173394574 906421676 /nfs/dbraw/zinc/42/16/76/906421676.db2.gz YXALKKIASJYRCL-UHFFFAOYSA-N 1 0 390.325 3.870 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCCOc3cccc(Cl)c3)CC2)cc1 ZINC001173422650 906458577 /nfs/dbraw/zinc/45/85/77/906458577.db2.gz UEWRQXIGUINYDY-UHFFFAOYSA-N 1 0 397.906 3.875 20 30 GHEDRO CC(C)(Cc1cccc(F)c1)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173427954 906464946 /nfs/dbraw/zinc/46/49/46/906464946.db2.gz UOVWNRZRFRWJDR-UHFFFAOYSA-N 1 0 379.479 3.913 20 30 GHEDRO C[Si](C)(C)C([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)[Si](C)(C)C ZINC001173428930 906465371 /nfs/dbraw/zinc/46/53/71/906465371.db2.gz XYPFRCRJDXRQDL-UHFFFAOYSA-N 1 0 387.676 3.876 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179361358 906483750 /nfs/dbraw/zinc/48/37/50/906483750.db2.gz PLZSOFPFBOZHAF-UHFFFAOYSA-N 1 0 398.334 3.737 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173520274 906521725 /nfs/dbraw/zinc/52/17/25/906521725.db2.gz ONGNNUAISQINDG-YADHBBJMSA-N 1 0 392.499 3.521 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC001173584639 906543690 /nfs/dbraw/zinc/54/36/90/906543690.db2.gz FBLJMVLFCHFODI-GULBITTBSA-N 1 0 397.338 3.730 20 30 GHEDRO Cc1nc(Cn2c(=O)ccc3c2CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C3)cs1 ZINC001173586783 906545404 /nfs/dbraw/zinc/54/54/04/906545404.db2.gz GQJTZFMEAADFEH-WUZYXKQASA-N 1 0 396.560 3.581 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173592794 906547166 /nfs/dbraw/zinc/54/71/66/906547166.db2.gz BDFBKEQZIDWYST-UHFFFAOYSA-N 1 0 391.556 3.808 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001173596292 906551324 /nfs/dbraw/zinc/55/13/24/906551324.db2.gz QROGFYAOHCBMKP-FOJYNEPKSA-N 1 0 392.547 3.950 20 30 GHEDRO NC(=O)c1ccc(C(=[NH2+])N[C@H]2CCc3ccc(OCc4ccccc4)cc3C2)cc1 ZINC001173708498 906659891 /nfs/dbraw/zinc/65/98/91/906659891.db2.gz PZWWFDWCCCSCJC-QFIPXVFZSA-N 1 0 399.494 3.627 20 30 GHEDRO CC(C)CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1 ZINC000180869244 906866250 /nfs/dbraw/zinc/86/62/50/906866250.db2.gz LFZPKQFJSARGRE-FTHOYRMOSA-N 1 0 375.900 3.933 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181677170 907054946 /nfs/dbraw/zinc/05/49/46/907054946.db2.gz NEWMACCUIYBXRW-IBGZPJMESA-N 1 0 393.531 3.899 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2)cc(OC)c1 ZINC000181880304 907094715 /nfs/dbraw/zinc/09/47/15/907094715.db2.gz ILWRVLXXOLFAMH-FXAWDEMLSA-N 1 0 395.503 3.531 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cccnc2)c1C#N ZINC000182884550 907281728 /nfs/dbraw/zinc/28/17/28/907281728.db2.gz XAGIPDSMWQOIBF-QGZVFWFLSA-N 1 0 387.487 3.709 20 30 GHEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000773473342 907432163 /nfs/dbraw/zinc/43/21/63/907432163.db2.gz BEZQQTGEAFZWPV-XLIONFOSSA-N 1 0 393.478 3.525 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1cccc(C)c1 ZINC000186981837 908014089 /nfs/dbraw/zinc/01/40/89/908014089.db2.gz UPSMYKDQRDKFQL-UHFFFAOYSA-O 1 0 386.497 3.908 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000189048279 908276529 /nfs/dbraw/zinc/27/65/29/908276529.db2.gz PFVYADXTOFSJQQ-UHFFFAOYSA-N 1 0 395.507 3.552 20 30 GHEDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCCOc2cccc(C#N)c2)n1C ZINC001176946244 908322953 /nfs/dbraw/zinc/32/29/53/908322953.db2.gz OXXXMKJZXBHRKD-HXUWFJFHSA-N 1 0 381.476 3.679 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](C[C@H](O)c3cccc(C#N)c3)C[C@H]1CCCC2 ZINC001177021927 908367537 /nfs/dbraw/zinc/36/75/37/908367537.db2.gz IUZMHNRXFXRZCG-QTEQDKRBSA-N 1 0 399.535 3.609 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC001177213573 908456614 /nfs/dbraw/zinc/45/66/14/908456614.db2.gz VJCKAYJMGHLBGZ-UHFFFAOYSA-N 1 0 397.482 3.866 20 30 GHEDRO CC(C)Oc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C(N)=O ZINC000366247988 921417659 /nfs/dbraw/zinc/41/76/59/921417659.db2.gz GSMWTIIVNRQBPI-UHFFFAOYSA-N 1 0 392.503 3.521 20 30 GHEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191814244 908677716 /nfs/dbraw/zinc/67/77/16/908677716.db2.gz QYKYSRDTGVLRPM-OAHLLOKOSA-N 1 0 388.313 3.873 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634374427 908696601 /nfs/dbraw/zinc/69/66/01/908696601.db2.gz OQEOPIWRNCHOJS-IBGZPJMESA-N 1 0 387.572 3.941 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192129192 908725473 /nfs/dbraw/zinc/72/54/73/908725473.db2.gz BSRSSDHMSNPIDH-APWZRJJASA-N 1 0 391.805 3.548 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000192745540 908820727 /nfs/dbraw/zinc/82/07/27/908820727.db2.gz ZROZNHUIZRWDNN-OXFYSEKESA-N 1 0 381.476 3.853 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccccc1OCC#N ZINC000194162117 908862900 /nfs/dbraw/zinc/86/29/00/908862900.db2.gz TWRNNRJRIVTWNV-SFHVURJKSA-N 1 0 377.488 3.893 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)CC1 ZINC001178208718 908942086 /nfs/dbraw/zinc/94/20/86/908942086.db2.gz UPKWMBMCBYNZEY-UHFFFAOYSA-N 1 0 379.938 3.661 20 30 GHEDRO Cc1noc(-c2ccc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)cc2)n1 ZINC001178436484 909037515 /nfs/dbraw/zinc/03/75/15/909037515.db2.gz JAWKISAONRCNDT-UHFFFAOYSA-N 1 0 399.458 3.507 20 30 GHEDRO N#Cc1ccc(CN(C(=O)Cc2ncccc2C(F)F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001178443320 909042119 /nfs/dbraw/zinc/04/21/19/909042119.db2.gz MFBWALFHHOCCOE-IYARVYRRSA-N 1 0 398.457 3.732 20 30 GHEDRO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)C#Cc2ccc(F)cc2F)CC1 ZINC001178574690 909129353 /nfs/dbraw/zinc/12/93/53/909129353.db2.gz XVYFADBYMJZFCK-WGSAOQKQSA-N 1 0 386.417 3.754 20 30 GHEDRO Cc1csc(C2(N[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CCC2)n1 ZINC000266449013 909167466 /nfs/dbraw/zinc/16/74/66/909167466.db2.gz IXJBJYDCJRVEOA-OAHLLOKOSA-N 1 0 386.496 3.895 20 30 GHEDRO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000266473736 909182859 /nfs/dbraw/zinc/18/28/59/909182859.db2.gz UZHZSEFUHXOFMA-NQIIRXRSSA-N 1 0 376.504 3.783 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000269587883 910312231 /nfs/dbraw/zinc/31/22/31/910312231.db2.gz CGXYWCDPKTWQAO-IAGOWNOFSA-N 1 0 377.492 3.539 20 30 GHEDRO C[NH+](C)Cc1ccc(CNc2ccc(F)cc2OCC#N)c2c1OC(F)(F)O2 ZINC001180723609 910333779 /nfs/dbraw/zinc/33/37/79/910333779.db2.gz KSUNKRJKRLUAFN-UHFFFAOYSA-N 1 0 393.365 3.723 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001181120899 910556007 /nfs/dbraw/zinc/55/60/07/910556007.db2.gz CVOVBPAULNQNAC-BVSLBCMMSA-N 1 0 387.568 3.880 20 30 GHEDRO N#CCc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000270451458 910571880 /nfs/dbraw/zinc/57/18/80/910571880.db2.gz FDULYJUXFITKQT-OAQYLSRUSA-N 1 0 385.471 3.648 20 30 GHEDRO Cc1ncc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F ZINC001181342725 910697800 /nfs/dbraw/zinc/69/78/00/910697800.db2.gz VZKZWRMOLDSQTF-ZWKOTPCHSA-N 1 0 398.457 3.993 20 30 GHEDRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)Nc2ccc(O)c(C#N)c2)C1 ZINC001181345383 910739548 /nfs/dbraw/zinc/73/95/48/910739548.db2.gz HZSJFROWJGCGQM-ZWKOTPCHSA-N 1 0 399.441 3.995 20 30 GHEDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773957125 911094375 /nfs/dbraw/zinc/09/43/75/911094375.db2.gz JRNYHGIBHXHGOI-VGOFRKELSA-N 1 0 378.476 3.505 20 30 GHEDRO COC(=O)c1cc(C#N)cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3C)C2)c1 ZINC001182340226 911508870 /nfs/dbraw/zinc/50/88/70/911508870.db2.gz FSIPFYYPNWFSFG-IBGZPJMESA-N 1 0 391.471 3.504 20 30 GHEDRO N#Cc1cccc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001182340386 911510754 /nfs/dbraw/zinc/51/07/54/911510754.db2.gz LRQAGMGAZPRUBH-BJKOFHAPSA-N 1 0 387.527 3.861 20 30 GHEDRO C[C@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)c1noc(-c2ccccc2)n1 ZINC000283920494 911691471 /nfs/dbraw/zinc/69/14/71/911691471.db2.gz DTYAQBCMBQZERX-PZBNQXIHSA-N 1 0 378.432 3.685 20 30 GHEDRO C=CC[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cccs1 ZINC000642093701 911743302 /nfs/dbraw/zinc/74/33/02/911743302.db2.gz XFAYXIZZSSBJQQ-UHFFFAOYSA-N 1 0 387.524 3.614 20 30 GHEDRO COc1ccc(N2C[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2=O)cc1 ZINC001182816879 912063350 /nfs/dbraw/zinc/06/33/50/912063350.db2.gz MUKKZVNILWEELK-VIHQBZHPSA-N 1 0 389.499 3.794 20 30 GHEDRO COc1ccc2cc(CNC(=[NH2+])NCCc3ccc(OC)c(OC)c3)ccc2c1 ZINC000303791832 915131014 /nfs/dbraw/zinc/13/10/14/915131014.db2.gz XWXQUWZRCQJERY-UHFFFAOYSA-N 1 0 393.487 3.513 20 30 GHEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)N2CCOCC2)cc1 ZINC000303865938 915224417 /nfs/dbraw/zinc/22/44/17/915224417.db2.gz BYGXYFAALCQNHJ-QFIPXVFZSA-N 1 0 380.536 3.919 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCOc2ccc(Cl)cc2C)cc1OC ZINC000303866121 915224562 /nfs/dbraw/zinc/22/45/62/915224562.db2.gz CGQDCSIAWIATAW-UHFFFAOYSA-N 1 0 377.872 3.861 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NCc2cc3c(c(Br)c2)OCO3)cc1C ZINC000303872335 915231106 /nfs/dbraw/zinc/23/11/06/915231106.db2.gz GHLWOAVAHINVSU-UHFFFAOYSA-N 1 0 376.254 3.721 20 30 GHEDRO CCCCNC(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)cc1 ZINC000303882384 915295000 /nfs/dbraw/zinc/29/50/00/915295000.db2.gz LKHOSGZEZZDGAK-UHFFFAOYSA-N 1 0 388.899 3.805 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2cc3c(c(Br)c2)OCO3)c1 ZINC000303895492 915300427 /nfs/dbraw/zinc/30/04/27/915300427.db2.gz TWVGPJCXQQCCIU-UHFFFAOYSA-N 1 0 376.254 3.721 20 30 GHEDRO CN(C)C(=O)COc1cccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000303892584 915301345 /nfs/dbraw/zinc/30/13/45/915301345.db2.gz NPLQWEJHCNGHDG-UHFFFAOYSA-N 1 0 394.519 3.608 20 30 GHEDRO [NH2+]=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303899425 915303766 /nfs/dbraw/zinc/30/37/66/915303766.db2.gz RQQZMJBRSPHENU-CQSZACIVSA-N 1 0 378.398 3.838 20 30 GHEDRO COc1ccc(C2(CNC(=[NH2+])N[C@H](C)CCCC(C)C)CCOCC2)cc1 ZINC000303906311 915306472 /nfs/dbraw/zinc/30/64/72/915306472.db2.gz ZVUFCVXYZQPFCW-GOSISDBHSA-N 1 0 375.557 3.863 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(N2CCC[N@H+](Cc3ccccc3)CCOCC2)n1 ZINC001187732704 915455089 /nfs/dbraw/zinc/45/50/89/915455089.db2.gz LBKIDUIMCOEUDT-UHFFFAOYSA-N 1 0 392.547 3.980 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3c(F)cc(Cl)cc3F)C2)C1=O ZINC001275635952 915497731 /nfs/dbraw/zinc/49/77/31/915497731.db2.gz AOGFZXOZYMPYLJ-IBGZPJMESA-N 1 0 382.838 3.535 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1C ZINC000292304715 915610176 /nfs/dbraw/zinc/61/01/76/915610176.db2.gz DKZCLWXMFWFFRN-VGOFRKELSA-N 1 0 397.544 3.904 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC2CCC2)cc1 ZINC000292312899 915613732 /nfs/dbraw/zinc/61/37/32/915613732.db2.gz LMTMTKFLHHUDBB-UHFFFAOYSA-O 1 0 398.508 3.834 20 30 GHEDRO COc1cccc([C@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304757233 915672321 /nfs/dbraw/zinc/67/23/21/915672321.db2.gz OPCSHVHEWPZOBR-OAQYLSRUSA-N 1 0 377.444 3.948 20 30 GHEDRO COCCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000304954203 915793843 /nfs/dbraw/zinc/79/38/43/915793843.db2.gz UTRUWEHUVKFLPN-UHFFFAOYSA-N 1 0 391.899 3.999 20 30 GHEDRO [NH2+]=C(NCCc1ccccc1OC(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000305014801 915835695 /nfs/dbraw/zinc/83/56/95/915835695.db2.gz LPTNWMBUDHRDNJ-OAHLLOKOSA-N 1 0 379.382 3.556 20 30 GHEDRO N#CCc1cccc(C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)c1 ZINC001188687300 916111102 /nfs/dbraw/zinc/11/11/02/916111102.db2.gz CSFAIDWSERPKIY-UHFFFAOYSA-N 1 0 386.499 3.671 20 30 GHEDRO Cc1ccc(N(C(=O)c2cccc(CC#N)c2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001188666848 916130531 /nfs/dbraw/zinc/13/05/31/916130531.db2.gz AUANEBVCADVLRL-UHFFFAOYSA-N 1 0 397.482 3.518 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3cc(F)cc(Br)c3)CC2)C1=O ZINC001275710289 916267692 /nfs/dbraw/zinc/26/76/92/916267692.db2.gz RULMNXNSTIFVQC-UHFFFAOYSA-N 1 0 395.316 3.979 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC12CCCC2 ZINC000294348590 916754386 /nfs/dbraw/zinc/75/43/86/916754386.db2.gz AZVBTQJXYKUTDJ-HSZRJFAPSA-N 1 0 378.520 3.631 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650414646 916962829 /nfs/dbraw/zinc/96/28/29/916962829.db2.gz RGUWEPISFFDKSE-MOPGFXCFSA-N 1 0 375.538 3.730 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(OCC#N)cc1 ZINC000775337369 917037501 /nfs/dbraw/zinc/03/75/01/917037501.db2.gz GLNGUJFAGLUXPO-KRWDZBQOSA-N 1 0 389.455 3.963 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)cc1 ZINC001190325168 917257718 /nfs/dbraw/zinc/25/77/18/917257718.db2.gz LEBXPECDKFTGGX-QFIPXVFZSA-N 1 0 392.499 3.686 20 30 GHEDRO N#Cc1cccc(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1F ZINC001190545133 917401324 /nfs/dbraw/zinc/40/13/24/917401324.db2.gz JLAJVQMRGJYAJX-WOJBJXKFSA-N 1 0 377.463 3.682 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1ccccc1 ZINC000775403011 917473323 /nfs/dbraw/zinc/47/33/23/917473323.db2.gz DXAWYGFLFYUGQZ-IBGZPJMESA-N 1 0 385.305 3.762 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796457174 917477198 /nfs/dbraw/zinc/47/71/98/917477198.db2.gz FLKCOGQBPZXYIH-FQEVSTJZSA-N 1 0 393.487 3.705 20 30 GHEDRO CC(C)(C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)c1 ZINC001190928142 917643877 /nfs/dbraw/zinc/64/38/77/917643877.db2.gz IZZMTXNOLKCJPE-HKUYNNGSSA-N 1 0 394.544 3.681 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000651543610 917652843 /nfs/dbraw/zinc/65/28/43/917652843.db2.gz RJZLUYZDIWWJBN-RTWAWAEBSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000296013323 917741762 /nfs/dbraw/zinc/74/17/62/917741762.db2.gz RGGBWKDSBZVXDD-FQEVSTJZSA-N 1 0 399.514 3.557 20 30 GHEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC001191133951 917804309 /nfs/dbraw/zinc/80/43/09/917804309.db2.gz VMWJEPOOYQDSGQ-UHFFFAOYSA-N 1 0 386.277 3.908 20 30 GHEDRO CN(CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C(=O)OC(C)(C)C ZINC000796515043 917946591 /nfs/dbraw/zinc/94/65/91/917946591.db2.gz WXVXIBOTSDBZRM-UHFFFAOYSA-N 1 0 391.487 3.798 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001191367296 917968312 /nfs/dbraw/zinc/96/83/12/917968312.db2.gz MHSBUYHLTRNHHD-PXNSSMCTSA-N 1 0 387.524 3.952 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3c(O)cccc3Cl)CC2)C1=O ZINC001275838218 918339865 /nfs/dbraw/zinc/33/98/65/918339865.db2.gz UIYWOTAFKFGLKN-HXUWFJFHSA-N 1 0 375.900 3.554 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001192256265 918540963 /nfs/dbraw/zinc/54/09/63/918540963.db2.gz OLVHWFPJSBAPAZ-LEWJYISDSA-N 1 0 389.499 3.551 20 30 GHEDRO Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)CC2)nc1 ZINC000363669737 918641234 /nfs/dbraw/zinc/64/12/34/918641234.db2.gz BWWRPRKDQLXZPG-FGZHOGPDSA-N 1 0 388.515 3.905 20 30 GHEDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000114400880 919389537 /nfs/dbraw/zinc/38/95/37/919389537.db2.gz LDEZIRGUBPMUDG-IBGZPJMESA-N 1 0 379.529 3.874 20 30 GHEDRO N#Cc1cccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001202787342 919416381 /nfs/dbraw/zinc/41/63/81/919416381.db2.gz KLCXYVBLXMBJCC-YVNJGZBMSA-N 1 0 376.504 3.985 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115350023 919448698 /nfs/dbraw/zinc/44/86/98/919448698.db2.gz MLOVTFALIAHREQ-FQEVSTJZSA-N 1 0 377.488 3.599 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1OCCCC#N ZINC000116366307 919504439 /nfs/dbraw/zinc/50/44/39/919504439.db2.gz GEHRSVXTZGWNLL-RBUKOAKNSA-N 1 0 387.524 3.551 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](C/C(Br)=C/c3ccccc3)C2)C1=O ZINC001276373641 919601556 /nfs/dbraw/zinc/60/15/56/919601556.db2.gz HOGCMNFRJOEGHU-BLMOFCDVSA-N 1 0 375.310 3.533 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(C)ccc3Br)CC2)C1=O ZINC001275927975 919811536 /nfs/dbraw/zinc/81/15/36/919811536.db2.gz ZMCVIGUVLVCACO-HXUWFJFHSA-N 1 0 389.337 3.595 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)cccc3Br)CC2)C1=O ZINC001275945120 920052671 /nfs/dbraw/zinc/05/26/71/920052671.db2.gz FCNFIIXGMJCRJO-LJQANCHMSA-N 1 0 395.316 3.979 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3c(F)cccc3Br)C2)C1=O ZINC001275948609 920056711 /nfs/dbraw/zinc/05/67/11/920056711.db2.gz HUGZQXSUSSWRRX-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000298675141 920794751 /nfs/dbraw/zinc/79/47/51/920794751.db2.gz YPNXDRCHPQLJJU-QFIPXVFZSA-N 1 0 375.472 3.571 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000901324904 921016490 /nfs/dbraw/zinc/01/64/90/921016490.db2.gz DACBUBGGPQXUND-OUKQBFOZSA-N 1 0 391.515 3.903 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000802145084 921857152 /nfs/dbraw/zinc/85/71/52/921857152.db2.gz IAUPNKOQVQXMFK-VGOFRKELSA-N 1 0 384.451 3.978 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1OC ZINC000802655000 922311597 /nfs/dbraw/zinc/31/15/97/922311597.db2.gz PBHALDLXIAEPEA-JOCHJYFZSA-N 1 0 390.524 3.997 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc(C#N)c1 ZINC000902764834 922482205 /nfs/dbraw/zinc/48/22/05/922482205.db2.gz IWLZVWHQLCYDIY-FCHUYYIVSA-N 1 0 377.488 3.708 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc(C#N)ccn1 ZINC000902766690 922485197 /nfs/dbraw/zinc/48/51/97/922485197.db2.gz PRTBUZVJULLZLO-HOCLYGCPSA-N 1 0 385.309 3.893 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1cc(C#N)ccn1 ZINC000902786885 922498178 /nfs/dbraw/zinc/49/81/78/922498178.db2.gz ULXMBDZGJTXVJN-DLBZAZTESA-N 1 0 377.492 3.621 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](NCC1(C#N)CC1)c1ccccc1O2 ZINC000903106076 922777432 /nfs/dbraw/zinc/77/74/32/922777432.db2.gz MINTVXOBCXYVBY-VGSWGCGISA-N 1 0 383.492 3.783 20 30 GHEDRO CC(=O)OCc1cccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000903196182 922844904 /nfs/dbraw/zinc/84/49/04/922844904.db2.gz JFDMKXMGBZGGFV-SFHVURJKSA-N 1 0 391.515 3.937 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000803660760 923129738 /nfs/dbraw/zinc/12/97/38/923129738.db2.gz CJQVESXQOOBKQY-UHFFFAOYSA-N 1 0 379.460 3.504 20 30 GHEDRO CCN(C(=O)c1ccc(C=NOC)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000748714440 923796114 /nfs/dbraw/zinc/79/61/14/923796114.db2.gz GQFGJQPBZOAUMM-GCJKJVERSA-N 1 0 379.504 3.965 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC000370072352 923842013 /nfs/dbraw/zinc/84/20/13/923842013.db2.gz LBCZWVHACRYEAY-FQEVSTJZSA-N 1 0 385.471 3.913 20 30 GHEDRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CCC(CC#N)CC3)ccc2c1 ZINC000543806959 924361329 /nfs/dbraw/zinc/36/13/29/924361329.db2.gz GVJGIVYLGHDWTH-KRWDZBQOSA-N 1 0 379.504 3.821 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409453929 924633541 /nfs/dbraw/zinc/63/35/41/924633541.db2.gz BSBNMNFUOUKAOG-UHFFFAOYSA-N 1 0 387.487 3.514 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)cc1Cl ZINC000678269858 924699271 /nfs/dbraw/zinc/69/92/71/924699271.db2.gz MFWHSXNIFJCHJV-UHFFFAOYSA-N 1 0 384.907 3.924 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000409860815 925075021 /nfs/dbraw/zinc/07/50/21/925075021.db2.gz ROXIODTVPFLZRG-BBRMVZONSA-N 1 0 381.314 3.675 20 30 GHEDRO Cc1cc(NC(=O)c2cccc(CC#N)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372085377 925135907 /nfs/dbraw/zinc/13/59/07/925135907.db2.gz HSXUAXNJCHAFRU-JOCHJYFZSA-N 1 0 399.498 3.957 20 30 GHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1ccccc1C#N ZINC000410076469 925295409 /nfs/dbraw/zinc/29/54/09/925295409.db2.gz ZSJQPFGSNMBWEY-QFIPXVFZSA-N 1 0 391.515 3.526 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC001276081166 925336361 /nfs/dbraw/zinc/33/63/61/925336361.db2.gz CPCDOTHWSNTNBA-UHFFFAOYSA-N 1 0 384.829 3.807 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000410496344 925684408 /nfs/dbraw/zinc/68/44/08/925684408.db2.gz FIONOYUKQXUQPU-CRAIPNDOSA-N 1 0 382.895 3.732 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCOCC1 ZINC000827559646 925810943 /nfs/dbraw/zinc/81/09/43/925810943.db2.gz HRXZOWGFKYZVLV-IYWMVGAKSA-N 1 0 376.541 3.573 20 30 GHEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000373098457 925859062 /nfs/dbraw/zinc/85/90/62/925859062.db2.gz JKSLAXHWWYJZFZ-IIBYNOLFSA-N 1 0 380.496 3.600 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000373395606 926080073 /nfs/dbraw/zinc/08/00/73/926080073.db2.gz YJILRDJEIPIVOG-JOCHJYFZSA-N 1 0 398.595 3.753 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(C(C)(C)C)cc2)c1C#N ZINC000133236741 926149787 /nfs/dbraw/zinc/14/97/87/926149787.db2.gz MUODBRUCEAIMCV-UHFFFAOYSA-N 1 0 381.524 3.692 20 30 GHEDRO CSc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000411242890 926239717 /nfs/dbraw/zinc/23/97/17/926239717.db2.gz XPYWHUKVNWHCFB-GOSISDBHSA-N 1 0 398.528 3.563 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H](CCO)c3ccccc3)sc2C1 ZINC000411440894 926399857 /nfs/dbraw/zinc/39/98/57/926399857.db2.gz CMQYZBIYVPFHBM-KXBFYZLASA-N 1 0 397.544 3.786 20 30 GHEDRO CC(C)(C)[C@@H]([NH2+]CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)c1ccccc1 ZINC000725766568 926430041 /nfs/dbraw/zinc/43/00/41/926430041.db2.gz MIYDDGYBPNDKDA-WMZHIEFXSA-N 1 0 390.487 3.660 20 30 GHEDRO CCC1CCC([N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C2CC2)CC1 ZINC000725768158 926431760 /nfs/dbraw/zinc/43/17/60/926431760.db2.gz LDWIJSRBWLIBRE-KNIBVPGVSA-N 1 0 394.519 3.716 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000725851949 926468671 /nfs/dbraw/zinc/46/86/71/926468671.db2.gz PITYIVYQFGOTNX-GOSISDBHSA-N 1 0 379.504 3.968 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccco1 ZINC000411511812 926470309 /nfs/dbraw/zinc/47/03/09/926470309.db2.gz KADKNGCMJVXHSN-CJNGLKHVSA-N 1 0 387.505 3.643 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCC[C@@H]1C ZINC000411627228 926570384 /nfs/dbraw/zinc/57/03/84/926570384.db2.gz PFFSUXPKGOFZGI-WMLDXEAASA-N 1 0 375.538 3.574 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccncc1F ZINC000411695179 926657059 /nfs/dbraw/zinc/65/70/59/926657059.db2.gz OORYNUKJOCINLV-CHWSQXEVSA-N 1 0 386.496 3.958 20 30 GHEDRO C[NH+]1CCC2(CCCN(CC(=O)c3cn(CCC#N)c4ccccc34)C2)CC1 ZINC000374076059 926731000 /nfs/dbraw/zinc/73/10/00/926731000.db2.gz ZHQMEHDZTVQJKG-UHFFFAOYSA-N 1 0 378.520 3.545 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411863726 926852969 /nfs/dbraw/zinc/85/29/69/926852969.db2.gz CMZHUCOJOFLVIC-MRXNPFEDSA-N 1 0 375.513 3.822 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC(C)(C)CC2)c1=S ZINC000726964810 926959537 /nfs/dbraw/zinc/95/95/37/926959537.db2.gz HSHSYDQARNAIBC-UHFFFAOYSA-N 1 0 377.602 3.708 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000412062059 927056549 /nfs/dbraw/zinc/05/65/49/927056549.db2.gz IEFMLUQCWQJNOX-KRWDZBQOSA-N 1 0 385.508 3.721 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000749442340 927104965 /nfs/dbraw/zinc/10/49/65/927104965.db2.gz XQYSSLITFUNXJW-LJQANCHMSA-N 1 0 390.487 3.647 20 30 GHEDRO C=CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000749570307 927192984 /nfs/dbraw/zinc/19/29/84/927192984.db2.gz DHUMTBQCILPCGC-NYVOZVTQSA-N 1 0 378.520 3.909 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000749573826 927195339 /nfs/dbraw/zinc/19/53/39/927195339.db2.gz OVNNMHSIWYIDMH-UHFFFAOYSA-N 1 0 391.515 3.505 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000374492554 927203455 /nfs/dbraw/zinc/20/34/55/927203455.db2.gz PCYZCGCTQILEGE-LJQANCHMSA-N 1 0 397.567 3.549 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000749695877 927243254 /nfs/dbraw/zinc/24/32/54/927243254.db2.gz XKFBDRCXPUXMMG-RBUKOAKNSA-N 1 0 393.572 3.523 20 30 GHEDRO C=C(C)[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)c(F)c1 ZINC000412263437 927271461 /nfs/dbraw/zinc/27/14/61/927271461.db2.gz YEYWMXNIRAMTHN-APWZRJJASA-N 1 0 380.504 3.916 20 30 GHEDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)C2)cc1 ZINC000749907124 927342790 /nfs/dbraw/zinc/34/27/90/927342790.db2.gz BKBLENVNZJVRNE-PXNSSMCTSA-N 1 0 398.466 3.722 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000412370780 927386731 /nfs/dbraw/zinc/38/67/31/927386731.db2.gz PJNUDNYBBPEKND-UARRHKHWSA-N 1 0 385.511 3.642 20 30 GHEDRO C=CCC[C@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000412783619 927839025 /nfs/dbraw/zinc/83/90/25/927839025.db2.gz ZJXGIAOTOBHGIT-QHCPKHFHSA-N 1 0 392.543 3.880 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750860200 927901863 /nfs/dbraw/zinc/90/18/63/927901863.db2.gz SLDMHRCEIUYPJL-AOMIVXANSA-N 1 0 383.536 3.875 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000751093004 928026536 /nfs/dbraw/zinc/02/65/36/928026536.db2.gz OFNZCLOKMDCYJP-CBNMVNINSA-N 1 0 398.551 3.964 20 30 GHEDRO C#CCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000751371299 928161650 /nfs/dbraw/zinc/16/16/50/928161650.db2.gz LSXSMEAFQYCXPD-UHFFFAOYSA-N 1 0 377.488 3.534 20 30 GHEDRO Cc1n[nH]cc1C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000375383313 928240099 /nfs/dbraw/zinc/24/00/99/928240099.db2.gz AJAHNOWHDDTRKC-GOSISDBHSA-N 1 0 379.508 3.541 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccccc3)c3ccc(F)cn3)CC2)nc1 ZINC000375526302 928398078 /nfs/dbraw/zinc/39/80/78/928398078.db2.gz UNWJTSSXMKEUGM-HSZRJFAPSA-N 1 0 387.462 3.835 20 30 GHEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)C1(C)C ZINC000751940211 928497266 /nfs/dbraw/zinc/49/72/66/928497266.db2.gz AFYPDMDYMLFLTL-VQTJNVASSA-N 1 0 381.524 3.998 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000544034530 928714722 /nfs/dbraw/zinc/71/47/22/928714722.db2.gz DPFBAPOQRKAPFW-QGZVFWFLSA-N 1 0 398.473 3.611 20 30 GHEDRO COC1CCC([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000467137240 928743564 /nfs/dbraw/zinc/74/35/64/928743564.db2.gz KKSWGSHMDCRNAB-UHFFFAOYSA-N 1 0 394.519 3.794 20 30 GHEDRO CO[C@@H](C)C[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(C)C ZINC000467156027 928768876 /nfs/dbraw/zinc/76/88/76/928768876.db2.gz WEXLBQARFCHVLV-INIZCTEOSA-N 1 0 382.508 3.650 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000467297655 928931484 /nfs/dbraw/zinc/93/14/84/928931484.db2.gz IOGGLLKJEVXFQF-CVEARBPZSA-N 1 0 389.565 3.822 20 30 GHEDRO C[C@H](CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[NH+]1CCCCC1 ZINC000544231214 928959594 /nfs/dbraw/zinc/95/95/94/928959594.db2.gz QXPSNRWMEDFATC-MRXNPFEDSA-N 1 0 397.548 3.992 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001276275843 929172211 /nfs/dbraw/zinc/17/22/11/929172211.db2.gz DMKCLHVWGWWRKZ-FQEVSTJZSA-N 1 0 397.346 3.663 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)CC1 ZINC000544600051 929328174 /nfs/dbraw/zinc/32/81/74/929328174.db2.gz YIPRERAVVKOEIJ-TWEIKEKHSA-N 1 0 395.934 3.978 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000753679146 929478748 /nfs/dbraw/zinc/47/87/48/929478748.db2.gz ODLNDISHHAWZDP-URXFXBBRSA-N 1 0 393.531 3.839 20 30 GHEDRO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469737656 930125119 /nfs/dbraw/zinc/12/51/19/930125119.db2.gz RWEXCRJEIQRGRV-OLZOCXBDSA-N 1 0 384.307 3.643 20 30 GHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H]1C ZINC000469863657 930215645 /nfs/dbraw/zinc/21/56/45/930215645.db2.gz PODZHPDYORNGFP-OXJNMPFZSA-N 1 0 394.471 3.529 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000759050697 930257793 /nfs/dbraw/zinc/25/77/93/930257793.db2.gz MCAMCVQMWGBJIU-UHFFFAOYSA-O 1 0 383.924 3.940 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000759054094 930258964 /nfs/dbraw/zinc/25/89/64/930258964.db2.gz ISBCTKAEXLWRMU-UHFFFAOYSA-O 1 0 381.521 3.714 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000780861171 930619392 /nfs/dbraw/zinc/61/93/92/930619392.db2.gz RWLBWVBWYCHFAA-JOCHJYFZSA-N 1 0 377.488 3.995 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](O)c2ccc(C#N)cc2)c1 ZINC000780968734 930656274 /nfs/dbraw/zinc/65/62/74/930656274.db2.gz HDZTWRLPOMVWSC-JOCHJYFZSA-N 1 0 379.504 3.530 20 30 GHEDRO c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCCC3N=Nc2nc(-c3ccncc3)no2)cc1 ZINC000781123106 930707642 /nfs/dbraw/zinc/70/76/42/930707642.db2.gz WHPQXODUPYSSRN-MOPGFXCFSA-N 1 0 388.475 3.832 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000471016510 931097595 /nfs/dbraw/zinc/09/75/95/931097595.db2.gz AYOMTBVNOGPNKA-ROUUACIJSA-N 1 0 388.581 3.541 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000471016511 931097905 /nfs/dbraw/zinc/09/79/05/931097905.db2.gz AYOMTBVNOGPNKA-ZWKOTPCHSA-N 1 0 388.581 3.541 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000471076324 931136676 /nfs/dbraw/zinc/13/66/76/931136676.db2.gz URWJJEJLENMRFA-HSZRJFAPSA-N 1 0 380.488 3.883 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000782519713 931254112 /nfs/dbraw/zinc/25/41/12/931254112.db2.gz MVHIEDMCZTYAGA-UHFFFAOYSA-N 1 0 386.540 3.610 20 30 GHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000782576131 931274790 /nfs/dbraw/zinc/27/47/90/931274790.db2.gz GMNWEMOWLVXFRH-UHFFFAOYSA-N 1 0 382.533 3.912 20 30 GHEDRO Cc1ccccc1[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CCC(C)CC1 ZINC000782768863 931330274 /nfs/dbraw/zinc/33/02/74/931330274.db2.gz AZHZHINMGHDSJX-BWBNORFCSA-N 1 0 381.520 3.978 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C=NOC)cc1 ZINC000924390104 931347983 /nfs/dbraw/zinc/34/79/83/931347983.db2.gz CHZWJCRTZHWSGX-UHFFFAOYSA-N 1 0 393.491 3.611 20 30 GHEDRO Cc1cc(C#N)nc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000557602411 931567355 /nfs/dbraw/zinc/56/73/55/931567355.db2.gz OMZNCUCLAIEJGO-CRAIPNDOSA-N 1 0 389.425 3.592 20 30 GHEDRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000557655177 931594918 /nfs/dbraw/zinc/59/49/18/931594918.db2.gz ZMNQPNBBXFWWQU-WBMJQRKESA-N 1 0 378.307 3.714 20 30 GHEDRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000557655175 931595050 /nfs/dbraw/zinc/59/50/50/931595050.db2.gz ZMNQPNBBXFWWQU-LRDDRELGSA-N 1 0 378.307 3.714 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000557656863 931595826 /nfs/dbraw/zinc/59/58/26/931595826.db2.gz PHIUXGBGEJONPW-GOSISDBHSA-N 1 0 388.924 3.909 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](O)c1ccsc1 ZINC000925111622 931651038 /nfs/dbraw/zinc/65/10/38/931651038.db2.gz RZFKCBYCRDUCLK-RDJZCZTQSA-N 1 0 393.553 3.691 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000558133314 931852940 /nfs/dbraw/zinc/85/29/40/931852940.db2.gz LLATWWYUUJNBNO-QAPCUYQASA-N 1 0 392.421 3.880 20 30 GHEDRO CCCc1c(NC(=O)NC[C@H](C)[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000784469094 931905998 /nfs/dbraw/zinc/90/59/98/931905998.db2.gz QBYBFBSSXCOQFO-KRWDZBQOSA-N 1 0 394.523 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC000784507450 931917555 /nfs/dbraw/zinc/91/75/55/931917555.db2.gz IOXBMLPJUSVFGZ-YSIASYRMSA-N 1 0 385.508 3.714 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925897336 931943005 /nfs/dbraw/zinc/94/30/05/931943005.db2.gz NDCJGYXOFQYEOZ-NRFANRHFSA-N 1 0 379.508 3.568 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925901162 931947727 /nfs/dbraw/zinc/94/77/27/931947727.db2.gz BUXDARHULGXCME-NRFANRHFSA-N 1 0 379.508 3.566 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1cccnc1 ZINC000925907341 931951687 /nfs/dbraw/zinc/95/16/87/931951687.db2.gz YRIKCQQOVFLSMX-FDFHNCONSA-N 1 0 391.519 3.556 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@H]1CCCCO1 ZINC000926121950 932056197 /nfs/dbraw/zinc/05/61/97/932056197.db2.gz KOLFYUPHOHVWLF-QZTJIDSGSA-N 1 0 379.545 3.855 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](CO)c1ccsc1 ZINC000926196898 932079319 /nfs/dbraw/zinc/07/93/19/932079319.db2.gz AZFDKULPFFYSJP-RDJZCZTQSA-N 1 0 393.553 3.691 20 30 GHEDRO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n(C)n1 ZINC000926236369 932093863 /nfs/dbraw/zinc/09/38/63/932093863.db2.gz NLCVPGSZPANRBO-WGUJIJQLSA-N 1 0 393.535 3.686 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926344460 932140110 /nfs/dbraw/zinc/14/01/10/932140110.db2.gz WRKQDWNFJMDALN-QYZOEREBSA-N 1 0 391.556 3.877 20 30 GHEDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1cccc(C#N)c1[O-] ZINC000926577993 932233047 /nfs/dbraw/zinc/23/30/47/932233047.db2.gz CCIKXAMSMDEMND-GOSISDBHSA-N 1 0 392.908 3.952 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000558895742 932298289 /nfs/dbraw/zinc/29/82/89/932298289.db2.gz IRTDJWSKGWNTRI-RBBKRZOGSA-N 1 0 398.457 3.589 20 30 GHEDRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCN(c3ccccc3C#N)CC2)n(C)n1 ZINC000926787073 932306984 /nfs/dbraw/zinc/30/69/84/932306984.db2.gz SZVJVYNWIKWDOD-PGRDOPGGSA-N 1 0 377.536 3.570 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N ZINC000926963285 932365366 /nfs/dbraw/zinc/36/53/66/932365366.db2.gz CMRDCEHBOGERGD-NJYVYQBISA-N 1 0 399.535 3.761 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)C1CC1 ZINC000927007236 932379631 /nfs/dbraw/zinc/37/96/31/932379631.db2.gz AVUUHSFJQYHDBC-ZWKOTPCHSA-N 1 0 392.540 3.654 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)C#Cc3ccccc3)c(OCC)c2)CC1 ZINC000797756743 932398195 /nfs/dbraw/zinc/39/81/95/932398195.db2.gz LMDYNUKVWABXGL-UHFFFAOYSA-N 1 0 391.515 3.608 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927158757 932436078 /nfs/dbraw/zinc/43/60/78/932436078.db2.gz JCUINKKENGVHIX-ROUUACIJSA-N 1 0 391.556 3.997 20 30 GHEDRO C=CCOc1cccc(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000559227832 932533202 /nfs/dbraw/zinc/53/32/02/932533202.db2.gz UMESDAOBOZVRJJ-UHFFFAOYSA-N 1 0 379.504 3.689 20 30 GHEDRO COc1ccc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2c1 ZINC000559544812 932727209 /nfs/dbraw/zinc/72/72/09/932727209.db2.gz XMBMGXJLBKFAII-UHFFFAOYSA-N 1 0 387.483 3.924 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(C)c(C#N)c3)CC2)c1 ZINC000799554990 933036434 /nfs/dbraw/zinc/03/64/34/933036434.db2.gz NKEWTJHWALREAI-UHFFFAOYSA-N 1 0 390.531 3.507 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1C ZINC001115900134 933236299 /nfs/dbraw/zinc/23/62/99/933236299.db2.gz YSJIDGPNZXLYNI-UHFFFAOYSA-N 1 0 393.535 3.637 20 30 GHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cccc21 ZINC000560688083 933459598 /nfs/dbraw/zinc/45/95/98/933459598.db2.gz BGIYYKXTVQTDTR-LJQANCHMSA-N 1 0 381.451 3.999 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000560691575 933463226 /nfs/dbraw/zinc/46/32/26/933463226.db2.gz UEUFXRXEDLIFGO-UHFFFAOYSA-N 1 0 394.494 3.657 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001116342237 933494610 /nfs/dbraw/zinc/49/46/10/933494610.db2.gz GSJPAMURCNILEW-SFHVURJKSA-N 1 0 385.895 3.528 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC001116381479 933525310 /nfs/dbraw/zinc/52/53/10/933525310.db2.gz XEPSCNNWYCZZLN-FYYLOGMGSA-N 1 0 395.478 3.808 20 30 GHEDRO N#Cc1cc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)ccc1Cl ZINC000777800878 933537880 /nfs/dbraw/zinc/53/78/80/933537880.db2.gz YGJFUTWPHPOJLC-UHFFFAOYSA-N 1 0 394.906 3.996 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001116541653 933622262 /nfs/dbraw/zinc/62/22/62/933622262.db2.gz LMCIINQNLGWQCS-CRAIPNDOSA-N 1 0 383.319 3.934 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)C1 ZINC001116568377 933639056 /nfs/dbraw/zinc/63/90/56/933639056.db2.gz UBYNCMHBPAPEFD-QFBILLFUSA-N 1 0 379.932 3.709 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000561137712 933905807 /nfs/dbraw/zinc/90/58/07/933905807.db2.gz KYJVFJLFAPXPPA-PXNSSMCTSA-N 1 0 390.405 3.984 20 30 GHEDRO C=CCOc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1 ZINC001117321348 933923620 /nfs/dbraw/zinc/92/36/20/933923620.db2.gz VZKXAGHRPXSVRZ-UHFFFAOYSA-N 1 0 394.519 3.633 20 30 GHEDRO C=C1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c2)CC1 ZINC000930529274 934084328 /nfs/dbraw/zinc/08/43/28/934084328.db2.gz BIKZNPPTMVUMAH-UHFFFAOYSA-N 1 0 392.931 3.596 20 30 GHEDRO CSc1ccc([C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)N(C)C)cc1 ZINC001118090492 934089227 /nfs/dbraw/zinc/08/92/27/934089227.db2.gz LHFYLEQUJKWBKK-HXUWFJFHSA-N 1 0 382.533 3.501 20 30 GHEDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC000561383182 934099763 /nfs/dbraw/zinc/09/97/63/934099763.db2.gz GYSLVQXUYRCBEG-QZTJIDSGSA-N 1 0 377.488 3.692 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1Cl ZINC001118228343 934113654 /nfs/dbraw/zinc/11/36/54/934113654.db2.gz NARZBBYOUXLJGS-NRFANRHFSA-N 1 0 397.906 3.680 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000930694551 934188701 /nfs/dbraw/zinc/18/87/01/934188701.db2.gz BJRIKKSGSGZTGW-GOSISDBHSA-N 1 0 394.437 3.678 20 30 GHEDRO C#Cc1cccc(NC(=S)N[C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000777926737 934203868 /nfs/dbraw/zinc/20/38/68/934203868.db2.gz GDVKUOSSYKAIHN-YADHBBJMSA-N 1 0 391.540 3.941 20 30 GHEDRO N#CC1CCC(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000930971092 934319201 /nfs/dbraw/zinc/31/92/01/934319201.db2.gz LLDDESMQFXZJHD-HIEASXQVSA-N 1 0 385.474 3.972 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(O)(Cc2ccccc2F)CC1)c1ccccc1 ZINC001119308691 934328566 /nfs/dbraw/zinc/32/85/66/934328566.db2.gz QFPFNJFAEUNQOV-DEOSSOPVSA-N 1 0 394.490 3.636 20 30 GHEDRO COC(=O)c1ccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c2ncccc12 ZINC000931113785 934382524 /nfs/dbraw/zinc/38/25/24/934382524.db2.gz WHHOUWRBOJPUOL-UHFFFAOYSA-N 1 0 386.455 3.668 20 30 GHEDRO Cn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001121388363 934643436 /nfs/dbraw/zinc/64/34/36/934643436.db2.gz MAZJPFBLLFUYMH-UHFFFAOYSA-N 1 0 398.514 3.587 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000562068199 934670637 /nfs/dbraw/zinc/67/06/37/934670637.db2.gz KVJBDRKHALYWKA-UHFFFAOYSA-N 1 0 393.331 3.610 20 30 GHEDRO C=CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCC2(CC2(F)F)CC1 ZINC001121630165 934719923 /nfs/dbraw/zinc/71/99/23/934719923.db2.gz ZFQZOTGDKKDVJR-ALOPSCKCSA-N 1 0 391.510 3.505 20 30 GHEDRO CCn1c(N(C)[C@H](C)CC#N)nnc1[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121890817 934785493 /nfs/dbraw/zinc/78/54/93/934785493.db2.gz RULIELZROMCANA-LZJOCLMNSA-N 1 0 384.503 3.668 20 30 GHEDRO C#CC[C@H]1CCCN(c2nnc(C3CCN(c4cc[nH+]cc4C)CC3)n2CC)C1 ZINC001121952951 934791833 /nfs/dbraw/zinc/79/18/33/934791833.db2.gz OBNZIOFPPWWZFK-IBGZPJMESA-N 1 0 392.551 3.625 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2CC)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001122394223 934860957 /nfs/dbraw/zinc/86/09/57/934860957.db2.gz ZNRHWBPMGRAGJZ-INIZCTEOSA-N 1 0 388.585 3.708 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]([NH+]3CCCCC3)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001122495342 934882506 /nfs/dbraw/zinc/88/25/06/934882506.db2.gz RGJXYZIHNINFAQ-CVDCTZTESA-N 1 0 394.567 3.644 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001122495341 934882578 /nfs/dbraw/zinc/88/25/78/934882578.db2.gz RGJXYZIHNINFAQ-AUSIDOKSSA-N 1 0 394.567 3.644 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001122575548 934906116 /nfs/dbraw/zinc/90/61/16/934906116.db2.gz LIHRCYWCVWCGTF-SXLOBPIMSA-N 1 0 387.572 3.795 20 30 GHEDRO CC(C)Cn1c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C(C)(C)CC#N ZINC001122704389 934956259 /nfs/dbraw/zinc/95/62/59/934956259.db2.gz ZUGZEIKSHSWWEO-MJGOQNOKSA-N 1 0 384.572 3.578 20 30 GHEDRO C=CCOCCCC(=O)O[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001123226568 935123225 /nfs/dbraw/zinc/12/32/25/935123225.db2.gz VZEMHASJWNPYSI-OAQYLSRUSA-N 1 0 387.520 3.726 20 30 GHEDRO CCn1ccnc1[C@@H](C#N)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC001123338308 935165091 /nfs/dbraw/zinc/16/50/91/935165091.db2.gz ZYELINHZVHDJRA-HKUYNNGSSA-N 1 0 380.492 3.646 20 30 GHEDRO CCn1ccnc1[C@H](C#N)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC001123338309 935165261 /nfs/dbraw/zinc/16/52/61/935165261.db2.gz ZYELINHZVHDJRA-IEBWSBKVSA-N 1 0 380.492 3.646 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)c1nnc([C@H]2CCC[N@H+](C)C2)n1CC1CC1 ZINC001123400154 935180729 /nfs/dbraw/zinc/18/07/29/935180729.db2.gz AFUVKYOYJSVIQB-UZLBHIALSA-N 1 0 378.524 3.566 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3snc(Cl)c3C#N)CC2)cc1 ZINC000828994783 935752322 /nfs/dbraw/zinc/75/23/22/935752322.db2.gz FLGGJRVSILBOBQ-UHFFFAOYSA-N 1 0 389.912 3.703 20 30 GHEDRO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137904328 935857977 /nfs/dbraw/zinc/85/79/77/935857977.db2.gz YVUHSDZSCYFKJM-QHCPKHFHSA-N 1 0 376.504 3.769 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](C#N)CCc3ccccc3)cc2)CC1 ZINC001625982291 1014628226 /nfs/dbraw/zinc/62/82/26/1014628226.db2.gz HOWCEBVGINDTAN-FQEVSTJZSA-N 1 0 376.504 3.540 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)CC#N ZINC001545674990 1014881946 /nfs/dbraw/zinc/88/19/46/1014881946.db2.gz PGQJLDBGSMBRKJ-RBUKOAKNSA-N 1 0 382.556 3.646 20 30 GHEDRO C=CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000544867831 1015127251 /nfs/dbraw/zinc/12/72/51/1015127251.db2.gz MIASGHJQJZUVGT-OAQYLSRUSA-N 1 0 394.515 3.997 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468771093 1016016838 /nfs/dbraw/zinc/01/68/38/1016016838.db2.gz ATLIJORWEOQOBK-UHFFFAOYSA-N 1 0 392.434 3.556 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1OC ZINC000468826297 1016077883 /nfs/dbraw/zinc/07/78/83/1016077883.db2.gz DKXAVHNAAIGAEU-SFHVURJKSA-N 1 0 382.460 3.898 20 30 GHEDRO CC(C)CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468969233 1016289032 /nfs/dbraw/zinc/28/90/32/1016289032.db2.gz OMSNBBJMOZUHON-INIZCTEOSA-N 1 0 389.565 3.964 20 30 GHEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1F ZINC001226824152 1032146035 /nfs/dbraw/zinc/14/60/35/1032146035.db2.gz GMOYRILZKFVUEK-OAQYLSRUSA-N 1 0 394.494 3.893 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469117547 1016509949 /nfs/dbraw/zinc/50/99/49/1016509949.db2.gz VOCXJOCJBJSVGI-HZPDHXFCSA-N 1 0 380.492 3.700 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+](CCCO)CC(C)(C)C)ccc1Cl ZINC000470214326 1016748395 /nfs/dbraw/zinc/74/83/95/1016748395.db2.gz CSOHSUDAQPVHJP-UHFFFAOYSA-N 1 0 379.932 3.626 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001227478814 1032435737 /nfs/dbraw/zinc/43/57/37/1032435737.db2.gz FDFQVBWTDUQAGG-VROINQGHSA-N 1 0 397.563 3.568 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(NCc2ccc3c(c2)CC[NH2+]C3)c1C#N ZINC001155268470 1032477579 /nfs/dbraw/zinc/47/75/79/1032477579.db2.gz PEERLVPPQMBCII-UHFFFAOYSA-N 1 0 387.512 3.995 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2C[C@H]([NH3+])Cc3ccccc32)cc1F ZINC001155298590 1032490681 /nfs/dbraw/zinc/49/06/81/1032490681.db2.gz HAGQVLPRAHUPSK-CQSZACIVSA-N 1 0 379.826 3.829 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC001227630772 1032493503 /nfs/dbraw/zinc/49/35/03/1032493503.db2.gz CWJDSGAFCUROLY-LJQANCHMSA-N 1 0 391.849 3.572 20 30 GHEDRO N#Cc1cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c2cc(-c3ccccc3)sc21 ZINC001155525590 1032570109 /nfs/dbraw/zinc/57/01/09/1032570109.db2.gz AJRHDIUYZRHTBS-LMMKCTJWSA-N 1 0 390.512 3.871 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cc1 ZINC001204173032 1032623883 /nfs/dbraw/zinc/62/38/83/1032623883.db2.gz RXSGXBDVTARKFZ-DEOSSOPVSA-N 1 0 375.516 3.986 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1OC(F)(F)F ZINC001204208847 1032658421 /nfs/dbraw/zinc/65/84/21/1032658421.db2.gz QUIDXSPSJBHKTJ-OAHLLOKOSA-N 1 0 382.386 3.595 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)ccc1OC ZINC000925397858 1017077663 /nfs/dbraw/zinc/07/76/63/1017077663.db2.gz RRXZRNPCXJVEPK-QFBILLFUSA-N 1 0 391.475 3.808 20 30 GHEDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925693900 1017138096 /nfs/dbraw/zinc/13/80/96/1017138096.db2.gz SKAXLYPUIBCUKQ-OKZBNKHCSA-N 1 0 379.545 3.711 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559144977 1017374130 /nfs/dbraw/zinc/37/41/30/1017374130.db2.gz FNGZDJCKBXFLLN-AZUAARDMSA-N 1 0 383.858 3.533 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000560448921 1017631860 /nfs/dbraw/zinc/63/18/60/1017631860.db2.gz GBKCQCSCSXTMIH-MRXNPFEDSA-N 1 0 383.883 3.592 20 30 GHEDRO C[C@H](NC(=O)N1CCc2c(CC#N)cccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC001227963338 1032718258 /nfs/dbraw/zinc/71/82/58/1032718258.db2.gz VLMRPCMFQQEUIW-HTAPYJJXSA-N 1 0 376.504 3.512 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)cc1 ZINC001204299456 1032739461 /nfs/dbraw/zinc/73/94/61/1032739461.db2.gz AXQBYXORDOCJPV-DEOSSOPVSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCN(c3ccc(OCCOC)cc3)CC2)cc1 ZINC001204303104 1032745233 /nfs/dbraw/zinc/74/52/33/1032745233.db2.gz ZQIGKBDALIMZRP-UHFFFAOYSA-N 1 0 382.504 3.599 20 30 GHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCCO1 ZINC000562499154 1018235244 /nfs/dbraw/zinc/23/52/44/1018235244.db2.gz HTHSAMYTYVNQPW-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932707475 1018598263 /nfs/dbraw/zinc/59/82/63/1018598263.db2.gz KDBYVOUPKXVNPB-ROUUACIJSA-N 1 0 379.545 3.570 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562847736 1018704956 /nfs/dbraw/zinc/70/49/56/1018704956.db2.gz YSLFZAHVOQJHCQ-VLQPXKRTSA-N 1 0 395.906 3.505 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CC#N)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000932914095 1018750131 /nfs/dbraw/zinc/75/01/31/1018750131.db2.gz FEDZVQADDJVELL-OIISXLGYSA-N 1 0 382.430 3.525 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](CCc3ccns3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932940459 1018767975 /nfs/dbraw/zinc/76/79/75/1018767975.db2.gz PNDWMKXPXCDVMR-RKDXNWHRSA-N 1 0 380.304 3.788 20 30 GHEDRO FC1(F)[C@H]2CN(Cc3cn4ccccc4n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944347 1018773904 /nfs/dbraw/zinc/77/39/04/1018773904.db2.gz UJKHCHGCEGAKPQ-PHIMTYICSA-N 1 0 399.285 3.937 20 30 GHEDRO CCOC(=O)CCCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944096 1018774201 /nfs/dbraw/zinc/77/42/01/1018774201.db2.gz QLJZMGOSYCDKAG-NXEZZACHSA-N 1 0 397.306 3.823 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](CCc3cscn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944842 1018774997 /nfs/dbraw/zinc/77/49/97/1018774997.db2.gz NEWAHNJERRPHNF-RKDXNWHRSA-N 1 0 380.304 3.788 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OCC)c(OC)c1)C2 ZINC001204358466 1032793392 /nfs/dbraw/zinc/79/33/92/1032793392.db2.gz NBNOKHLPEWGCSF-FCHUYYIVSA-N 1 0 375.509 3.668 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001228129482 1032798939 /nfs/dbraw/zinc/79/89/39/1032798939.db2.gz FTSGQDLMZCHWLG-HXUWFJFHSA-N 1 0 394.544 3.744 20 30 GHEDRO N#C[C@@H]1CC[C@@H](Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000564807169 1019115069 /nfs/dbraw/zinc/11/50/69/1019115069.db2.gz CEDSMRXEYRJBSG-NHCUHLMSSA-N 1 0 375.520 3.550 20 30 GHEDRO CN(C(=O)Nc1cccc(CC#N)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000568529005 1019417033 /nfs/dbraw/zinc/41/70/33/1019417033.db2.gz IUKMTSDZRPSPKX-UHFFFAOYSA-N 1 0 378.476 3.896 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000570423507 1019605497 /nfs/dbraw/zinc/60/54/97/1019605497.db2.gz PIXSPRUFRMVRSY-JKSUJKDBSA-N 1 0 380.423 3.563 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000574931262 1019918938 /nfs/dbraw/zinc/91/89/38/1019918938.db2.gz IIXMMKMZCNZUNZ-UPVQGACJSA-N 1 0 390.531 3.585 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000576911764 1020085843 /nfs/dbraw/zinc/08/58/43/1020085843.db2.gz SMQYVELOBOGRAE-URXFXBBRSA-N 1 0 393.527 3.839 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000577173016 1020140967 /nfs/dbraw/zinc/14/09/67/1020140967.db2.gz QXUFWZKFEPRBNQ-CQSZACIVSA-N 1 0 396.434 3.572 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CCSCc2cccc3ccccc32)CCOCC1 ZINC000600719949 1020224369 /nfs/dbraw/zinc/22/43/69/1020224369.db2.gz MBLXYFLQHHQWPU-HXUWFJFHSA-N 1 0 384.545 3.734 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000600741894 1020230810 /nfs/dbraw/zinc/23/08/10/1020230810.db2.gz RGJDIPOPKQIHGN-SUMWQHHRSA-N 1 0 388.309 3.952 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c(C)nn(-c3ccccc3)c1C)CC2 ZINC001204447098 1032888593 /nfs/dbraw/zinc/88/85/93/1032888593.db2.gz CJRORXZAVAGACN-UHFFFAOYSA-N 1 0 394.519 3.710 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000779048135 1020322619 /nfs/dbraw/zinc/32/26/19/1020322619.db2.gz IINHXJFXOJEDRR-QUCCMNQESA-N 1 0 377.488 3.731 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000779048134 1020323068 /nfs/dbraw/zinc/32/30/68/1020323068.db2.gz IINHXJFXOJEDRR-ICSRJNTNSA-N 1 0 377.488 3.731 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779057502 1020342551 /nfs/dbraw/zinc/34/25/51/1020342551.db2.gz JQBLJANAYJIAPC-HKUYNNGSSA-N 1 0 395.478 3.870 20 30 GHEDRO C[NH+](C)Cc1ccc(CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)cc1F ZINC000578897136 1020367298 /nfs/dbraw/zinc/36/72/98/1020367298.db2.gz QPJGJVMFKCBCAE-UHFFFAOYSA-N 1 0 388.368 3.758 20 30 GHEDRO C=CCc1cc(OC)c(OC[C@@H]2CN(Cc3ccccc3)CCO2)c(OC)c1 ZINC001228427282 1032930747 /nfs/dbraw/zinc/93/07/47/1032930747.db2.gz GMFNMMVZNCKTJS-FQEVSTJZSA-N 1 0 383.488 3.712 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000079216013 1020886759 /nfs/dbraw/zinc/88/67/59/1020886759.db2.gz BVZJRNOSWRQSGK-FQEVSTJZSA-N 1 0 384.568 3.684 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000634708906 1020956327 /nfs/dbraw/zinc/95/63/27/1020956327.db2.gz ATJMABOEWQURKZ-QZTJIDSGSA-N 1 0 387.442 3.595 20 30 GHEDRO COc1ccc(OC)c([C@@H](O)C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000303911165 1021147901 /nfs/dbraw/zinc/14/79/01/1021147901.db2.gz ZHTBPNFRLKDEFC-FQEVSTJZSA-N 1 0 383.492 3.691 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(Br)cc1N)CC2 ZINC001140223223 1021186753 /nfs/dbraw/zinc/18/67/53/1021186753.db2.gz UARZUUVLEWRPRW-LJQANCHMSA-N 1 0 392.341 3.564 20 30 GHEDRO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(OCC#N)cc2)C1 ZINC000796569663 1021244165 /nfs/dbraw/zinc/24/41/65/1021244165.db2.gz GBZHAYSDZJREHQ-AZUAARDMSA-N 1 0 385.508 3.812 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001140352898 1021475274 /nfs/dbraw/zinc/47/52/74/1021475274.db2.gz QQWUZLBJBNRYRM-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc(C#N)ccn1 ZINC000902764235 1021533984 /nfs/dbraw/zinc/53/39/84/1021533984.db2.gz AJVWMEQCSRYWKY-HOCLYGCPSA-N 1 0 385.309 3.893 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000902772237 1021534704 /nfs/dbraw/zinc/53/47/04/1021534704.db2.gz BMTTZPQGSSLZQL-OAQYLSRUSA-N 1 0 383.517 3.584 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccccc3C=Nc3ccccc3)C[C@H]1[N@@H+]2C ZINC001228565508 1032989758 /nfs/dbraw/zinc/98/97/58/1032989758.db2.gz SGAIHDWUBDYDCY-QXUYBEEESA-N 1 0 378.472 3.983 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000834904513 1021653813 /nfs/dbraw/zinc/65/38/13/1021653813.db2.gz ZCOCGGSTEDFPGM-GOSISDBHSA-N 1 0 382.529 3.693 20 30 GHEDRO S=C(NN=C1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]12)Nc1cccnc1 ZINC000834921935 1021690548 /nfs/dbraw/zinc/69/05/48/1021690548.db2.gz KRRISEXHIVAUSY-QUCCMNQESA-N 1 0 379.533 3.799 20 30 GHEDRO C[NH+](C)C[C@@](C)(CN=Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000834951683 1021724928 /nfs/dbraw/zinc/72/49/28/1021724928.db2.gz DJXXWRFQYNZFJP-LJQANCHMSA-N 1 0 395.475 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[N@@H+]3CCC[C@H](C#N)CC3)c2)CC1 ZINC001140521466 1021913199 /nfs/dbraw/zinc/91/31/99/1021913199.db2.gz QRWGKNHWSOAZFJ-IBGZPJMESA-N 1 0 398.551 3.869 20 30 GHEDRO CCOC(=O)c1[nH]c2ccccc2c1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001228656785 1033032182 /nfs/dbraw/zinc/03/21/82/1033032182.db2.gz JJPVCEJJMHUFIB-SFHVURJKSA-N 1 0 389.455 3.870 20 30 GHEDRO N#Cc1ccc2[nH]c(C(=O)N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2c1 ZINC001156461070 1033045067 /nfs/dbraw/zinc/04/50/67/1033045067.db2.gz DYWJVHNKDCJJRS-MZADTFQBSA-N 1 0 384.483 3.965 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]12 ZINC001140755774 1022445435 /nfs/dbraw/zinc/44/54/35/1022445435.db2.gz SAUVXEGKTTVWHP-QIIPPGSGSA-N 1 0 377.435 3.572 20 30 GHEDRO Cc1ccc(N2C[C@]3(CCN(Cc4cc(F)c(C#N)c(F)c4)C3)CC2=O)s1 ZINC001140757723 1022448071 /nfs/dbraw/zinc/44/80/71/1022448071.db2.gz QGYKRDZBCTWXLH-HXUWFJFHSA-N 1 0 387.455 3.835 20 30 GHEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754320448 1022618223 /nfs/dbraw/zinc/61/82/23/1022618223.db2.gz SXKLTPINFAYXOU-HKUYNNGSSA-N 1 0 387.524 3.952 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(N(CC)CC)cc1O)CCO2 ZINC001140852501 1022701622 /nfs/dbraw/zinc/70/16/22/1022701622.db2.gz QEWVTZOMKPCBBF-NZQKXSOJSA-N 1 0 388.552 3.812 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(N(CC)CC)cc1O)CCC2 ZINC001140852848 1022701749 /nfs/dbraw/zinc/70/17/49/1022701749.db2.gz BTTZKYKGKOIQFD-UHFFFAOYSA-N 1 0 384.524 3.543 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2cccc(OCC#N)c2)CCC1 ZINC000836290685 1022831751 /nfs/dbraw/zinc/83/17/51/1022831751.db2.gz GELOIHQXICXGAJ-UHFFFAOYSA-N 1 0 378.476 3.765 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000754730296 1022863772 /nfs/dbraw/zinc/86/37/72/1022863772.db2.gz MIRZGZHXOIJVHR-LJQANCHMSA-N 1 0 399.466 3.664 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001156530311 1033086360 /nfs/dbraw/zinc/08/63/60/1033086360.db2.gz JDMGDYGXHXGRLS-LJQANCHMSA-N 1 0 377.879 3.826 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000836496508 1023034216 /nfs/dbraw/zinc/03/42/16/1023034216.db2.gz DQDXCHOPHMYWRN-AWEZNQCLSA-N 1 0 398.429 3.858 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000836610939 1023168625 /nfs/dbraw/zinc/16/86/25/1023168625.db2.gz ITRCENHBWUMQSB-NQIIRXRSSA-N 1 0 397.544 3.642 20 30 GHEDRO N#Cc1ccc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000755429538 1023246221 /nfs/dbraw/zinc/24/62/21/1023246221.db2.gz FPHNZYBUMSASQK-UHFFFAOYSA-N 1 0 397.862 3.603 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](COc2c(C)cccc2C)c2ccccc2)CC1 ZINC000755572983 1023298229 /nfs/dbraw/zinc/29/82/29/1023298229.db2.gz BRBAJOGPPHLYTC-HSZRJFAPSA-N 1 0 390.527 3.885 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000755984812 1023467811 /nfs/dbraw/zinc/46/78/11/1023467811.db2.gz VETPWTMUFMAEQP-VXKWHMMOSA-N 1 0 377.488 3.865 20 30 GHEDRO N#Cc1cc(-c2cccc3c2cnn3[C@@H]2CCCCO2)ccc1N1CC[NH2+]CC1 ZINC001204881845 1033144245 /nfs/dbraw/zinc/14/42/45/1033144245.db2.gz MJSVTTVDUUDSSB-QHCPKHFHSA-N 1 0 387.487 3.684 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(F)cc4C#N)C3)C2=O)c1 ZINC001141165614 1023994376 /nfs/dbraw/zinc/99/43/76/1023994376.db2.gz DKIHXAAPLDBHNP-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO COCC[N@H+](CCC(C)(C)C#N)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000830671353 1024059159 /nfs/dbraw/zinc/05/91/59/1024059159.db2.gz ZBGHLNNZIAYWGY-UHFFFAOYSA-N 1 0 387.524 3.676 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)C1 ZINC000831093899 1024350760 /nfs/dbraw/zinc/35/07/60/1024350760.db2.gz GRSSMPMOWCBWFS-KRWDZBQOSA-N 1 0 388.943 3.749 20 30 GHEDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141291142 1024420184 /nfs/dbraw/zinc/42/01/84/1024420184.db2.gz CDGVHDQOYOREOU-QHCPKHFHSA-N 1 0 375.472 3.937 20 30 GHEDRO CC[NH+](CC)C[C@H]1CN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC001141298571 1024443586 /nfs/dbraw/zinc/44/35/86/1024443586.db2.gz XJHGEAQHVOKDHF-QHCPKHFHSA-N 1 0 379.504 3.893 20 30 GHEDRO O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@@H]2C1 ZINC001138334956 1024696586 /nfs/dbraw/zinc/69/65/86/1024696586.db2.gz AKDMZTFJRPCOBG-PSWAGMNNSA-N 1 0 396.490 3.883 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)cc1OC ZINC001138341984 1024704259 /nfs/dbraw/zinc/70/42/59/1024704259.db2.gz WTEIGBBMDHGTDW-QFIPXVFZSA-N 1 0 388.508 3.586 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC001138347307 1024709177 /nfs/dbraw/zinc/70/91/77/1024709177.db2.gz VAIQQLPOQSFNAE-KRWDZBQOSA-N 1 0 388.508 3.539 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)CCCN3C)[C@@H]2CC ZINC001138355336 1024718996 /nfs/dbraw/zinc/71/89/96/1024718996.db2.gz ODXFURANMNEOJP-VWNXMTODSA-N 1 0 381.564 3.991 20 30 GHEDRO C=C(C)[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC001138369512 1024732946 /nfs/dbraw/zinc/73/29/46/1024732946.db2.gz SJTXDTSOYRKWFZ-QHCPKHFHSA-N 1 0 399.485 3.911 20 30 GHEDRO COc1ccc(C)cc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001138486333 1024916966 /nfs/dbraw/zinc/91/69/66/1024916966.db2.gz OEXLJOCDTNXYOQ-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000838173686 1024969751 /nfs/dbraw/zinc/96/97/51/1024969751.db2.gz FNORSZWMDFZXGS-UHFFFAOYSA-N 1 0 392.459 3.752 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)CC2 ZINC001138554634 1025010675 /nfs/dbraw/zinc/01/06/75/1025010675.db2.gz TXKXNVJEDCXLBW-NRFANRHFSA-N 1 0 394.462 3.830 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1 ZINC001138559482 1025021130 /nfs/dbraw/zinc/02/11/30/1025021130.db2.gz MLIVADFRBUMNGZ-LADGPHEKSA-N 1 0 392.499 3.544 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC001138559561 1025021162 /nfs/dbraw/zinc/02/11/62/1025021162.db2.gz WABIDDGOASGNLV-UHFFFAOYSA-N 1 0 379.456 3.529 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001138560702 1025023604 /nfs/dbraw/zinc/02/36/04/1025023604.db2.gz IIQVJJZVFBOAPH-KRWDZBQOSA-N 1 0 391.393 3.551 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CCN(Cc3ccc(C(=O)OC)cc3)C[C@H]2C)c1O ZINC001138628186 1025128582 /nfs/dbraw/zinc/12/85/82/1025128582.db2.gz QGGZXNZLGJZVFU-GOSISDBHSA-N 1 0 394.515 3.614 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)c1O ZINC001138628005 1025128742 /nfs/dbraw/zinc/12/87/42/1025128742.db2.gz QSSLETYKUQUEBL-QFIPXVFZSA-N 1 0 390.527 3.959 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c1O ZINC001138628051 1025129042 /nfs/dbraw/zinc/12/90/42/1025129042.db2.gz RZMWDLFHRVSBCY-NOZRDPDXSA-N 1 0 390.527 3.885 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c1O ZINC001138627535 1025129076 /nfs/dbraw/zinc/12/90/76/1025129076.db2.gz LJZSWFPQLNROBL-UHFFFAOYSA-N 1 0 376.500 3.575 20 30 GHEDRO C=CC[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccncc1 ZINC000838478129 1025160743 /nfs/dbraw/zinc/16/07/43/1025160743.db2.gz SZAONWUZMMPCQK-QGZVFWFLSA-N 1 0 384.446 3.757 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000838485568 1025167313 /nfs/dbraw/zinc/16/73/13/1025167313.db2.gz CYGWGKNFXIGJMZ-INIZCTEOSA-N 1 0 382.533 3.818 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(CN(c3cccnc3)C2=O)CC1 ZINC001138663777 1025185814 /nfs/dbraw/zinc/18/58/14/1025185814.db2.gz CLWQLJQFDKZHPC-UHFFFAOYSA-N 1 0 377.488 3.666 20 30 GHEDRO C#Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000838641171 1025257952 /nfs/dbraw/zinc/25/79/52/1025257952.db2.gz GUDRLXSHIBJVNO-WMZHIEFXSA-N 1 0 375.516 3.862 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cc(OC)c1OC)C2 ZINC001138742932 1025282192 /nfs/dbraw/zinc/28/21/92/1025282192.db2.gz JEDYKRBEBYZMBY-CTNGQTDRSA-N 1 0 395.927 3.931 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3N3CCC(O)CC3)C2)c1 ZINC001138763423 1025325835 /nfs/dbraw/zinc/32/58/35/1025325835.db2.gz YPBJULVICNTLSL-QHCPKHFHSA-N 1 0 391.515 3.563 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnc(N(CC)CC)s3)C2)C1 ZINC001138798238 1025375758 /nfs/dbraw/zinc/37/57/58/1025375758.db2.gz BWNPQLSOJIHTPW-HXUWFJFHSA-N 1 0 392.569 3.600 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000839155976 1025658207 /nfs/dbraw/zinc/65/82/07/1025658207.db2.gz XKDKHFWTFQGRIJ-QFIPXVFZSA-N 1 0 399.441 3.611 20 30 GHEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000839166782 1025676568 /nfs/dbraw/zinc/67/65/68/1025676568.db2.gz TYAYQQNIXWUGDP-INIZCTEOSA-N 1 0 387.524 3.904 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)ccc1C#N ZINC000839184952 1025696976 /nfs/dbraw/zinc/69/69/76/1025696976.db2.gz NYUWNHQESKLZAM-IPMKNSEASA-N 1 0 385.508 3.692 20 30 GHEDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000839195084 1025715092 /nfs/dbraw/zinc/71/50/92/1025715092.db2.gz FTBHLWDMBNRNGT-HNAYVOBHSA-N 1 0 388.446 3.926 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)Nc1ncc(C)cc1C[NH3+] ZINC001162840519 1025936240 /nfs/dbraw/zinc/93/62/40/1025936240.db2.gz YLCNGLJUOIBZKY-HXUWFJFHSA-N 1 0 397.519 3.778 20 30 GHEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccc([C@@H](C#N)C(=O)OC(C)(C)C)n2)c1 ZINC001162903684 1025960733 /nfs/dbraw/zinc/96/07/33/1025960733.db2.gz PZNYDOOKGVYQSJ-RHSMWYFYSA-N 1 0 376.460 3.994 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1(C)C ZINC001162903808 1025960868 /nfs/dbraw/zinc/96/08/68/1025960868.db2.gz FQTWXTNISUZSPD-RTWAWAEBSA-N 1 0 377.488 3.596 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(Br)c3)C2)C1=O ZINC001139173965 1025999624 /nfs/dbraw/zinc/99/96/24/1025999624.db2.gz OMUMKOBPCZTHBS-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)cnc2NCc2noc3c2C[NH2+]CC3)c1 ZINC001163128984 1026058568 /nfs/dbraw/zinc/05/85/68/1026058568.db2.gz DXOBVSQVAOBRHM-UHFFFAOYSA-N 1 0 399.376 3.885 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)C3CCOCC3)sc2C1 ZINC000839585877 1026085206 /nfs/dbraw/zinc/08/52/06/1026085206.db2.gz NFONQYYGBWMZLM-AWEZNQCLSA-N 1 0 389.565 3.868 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163215721 1026091472 /nfs/dbraw/zinc/09/14/72/1026091472.db2.gz PYDIDNIZVIKADK-XLIONFOSSA-N 1 0 393.288 3.806 20 30 GHEDRO N#Cc1c2c(cnc1N[C@H]1C[NH2+]Cc3ccsc31)CCN2Cc1ccccc1 ZINC001163220659 1026092403 /nfs/dbraw/zinc/09/24/03/1026092403.db2.gz GITZXXUXIKLDTJ-IBGZPJMESA-N 1 0 387.512 3.834 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001141660711 1026154022 /nfs/dbraw/zinc/15/40/22/1026154022.db2.gz JHSKJONZMLGSBN-UHFFFAOYSA-N 1 0 380.305 3.719 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141661190 1026157051 /nfs/dbraw/zinc/15/70/51/1026157051.db2.gz ZTHPQVROVILJOQ-WOJBJXKFSA-N 1 0 396.332 3.885 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001163466166 1026205057 /nfs/dbraw/zinc/20/50/57/1026205057.db2.gz MOWYZLRBCSUBJC-UHFFFAOYSA-N 1 0 389.837 3.999 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1nc(C)cc(OCc2ccccc2)n1 ZINC001163473227 1026207446 /nfs/dbraw/zinc/20/74/46/1026207446.db2.gz MKUMFGAEFSOMLS-UHFFFAOYSA-N 1 0 375.476 3.853 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139402432 1026273253 /nfs/dbraw/zinc/27/32/53/1026273253.db2.gz RFQBSXMQNQSEOP-BGYRXZFFSA-N 1 0 390.487 3.814 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC[C@]1(O)C(F)(F)F ZINC001139401977 1026273664 /nfs/dbraw/zinc/27/36/64/1026273664.db2.gz JWHKYYXURLQWIS-IFXJQAMLSA-N 1 0 375.394 3.755 20 30 GHEDRO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139402925 1026274576 /nfs/dbraw/zinc/27/45/76/1026274576.db2.gz BEVFFZVYNCQDAM-XMMPIXPASA-N 1 0 388.515 3.843 20 30 GHEDRO CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406062 1026279546 /nfs/dbraw/zinc/27/95/46/1026279546.db2.gz KYDQSNSGGSFRKI-UHFFFAOYSA-N 1 0 376.504 3.747 20 30 GHEDRO [NH2+]=C(Nc1ccc2nnc(C3CCOCC3)n2c1)c1ccc(C(F)(F)F)cc1 ZINC001163684914 1026282946 /nfs/dbraw/zinc/28/29/46/1026282946.db2.gz DGXIVXTVWZASMQ-UHFFFAOYSA-N 1 0 389.381 3.679 20 30 GHEDRO COc1cc(CCC#N)c(NCc2cccnc2C2CC[NH2+]CC2)cc1OC ZINC001163911822 1026360096 /nfs/dbraw/zinc/36/00/96/1026360096.db2.gz NYJPPEXOKNGSJD-UHFFFAOYSA-N 1 0 380.492 3.634 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3nc(C(F)(F)F)ccc3C#N)cc2F)CC1 ZINC001163974145 1026375673 /nfs/dbraw/zinc/37/56/73/1026375673.db2.gz GDWQYSOAMDXNBH-UHFFFAOYSA-N 1 0 393.388 3.997 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)cc1F ZINC001139527961 1026383738 /nfs/dbraw/zinc/38/37/38/1026383738.db2.gz JSACHCLOSMNDAI-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1F ZINC001139528436 1026385913 /nfs/dbraw/zinc/38/59/13/1026385913.db2.gz SJBWSWWOSQBZBC-IFMALSPDSA-N 1 0 381.451 3.542 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1F ZINC001139528855 1026388264 /nfs/dbraw/zinc/38/82/64/1026388264.db2.gz ZUCULSIDWMKMKH-OAQYLSRUSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001164250317 1026465032 /nfs/dbraw/zinc/46/50/32/1026465032.db2.gz YWAISHMKVBEBND-UHFFFAOYSA-N 1 0 391.475 3.640 20 30 GHEDRO C[C@]1(CNC(=O)[C@H](C#N)CCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001139617218 1026482202 /nfs/dbraw/zinc/48/22/02/1026482202.db2.gz LZWXIZYNLITIRT-LADGPHEKSA-N 1 0 375.516 3.787 20 30 GHEDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)c(C)c(C)c3C#N)CC2)cc1 ZINC001164329495 1026487323 /nfs/dbraw/zinc/48/73/23/1026487323.db2.gz ASIQWKHTRZGRLA-UHFFFAOYSA-N 1 0 393.535 3.511 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001139646519 1026506586 /nfs/dbraw/zinc/50/65/86/1026506586.db2.gz WIAMDTLAMQVWFK-GHTZIAJQSA-N 1 0 391.462 3.868 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(C)nc4cc(C)ccn43)C2)C1 ZINC001139674836 1026530218 /nfs/dbraw/zinc/53/02/18/1026530218.db2.gz GDQWZNNCYCIZMN-QFIPXVFZSA-N 1 0 382.508 3.562 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@]4(CCN(c5ccsc5)C4=O)C3)c[nH]c21 ZINC001139702145 1026547446 /nfs/dbraw/zinc/54/74/46/1026547446.db2.gz XVYTTZJHZNOVNT-NRFANRHFSA-N 1 0 376.485 3.730 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC(Oc3ccc(Br)cc3)CC2)cn1 ZINC001139770439 1026605621 /nfs/dbraw/zinc/60/56/21/1026605621.db2.gz NDGKIFLXRSHGJW-UHFFFAOYSA-N 1 0 376.298 3.875 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165271827 1026688892 /nfs/dbraw/zinc/68/88/92/1026688892.db2.gz WWVOMXARCRGIJY-SFHVURJKSA-N 1 0 387.409 3.526 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cc(F)cc(C#N)c3)C2)C1=O ZINC001139875357 1026692209 /nfs/dbraw/zinc/69/22/09/1026692209.db2.gz ZERSKZMTTXEULH-QHCPKHFHSA-N 1 0 377.463 3.844 20 30 GHEDRO N#Cc1cc(Cl)cc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165476744 1026738387 /nfs/dbraw/zinc/73/83/87/1026738387.db2.gz NTBVOFIUIPYFHF-UYAOXDASSA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1nc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001165479242 1026741876 /nfs/dbraw/zinc/74/18/76/1026741876.db2.gz LORIUPQXYXDLQX-OXQOHEQNSA-N 1 0 386.858 3.795 20 30 GHEDRO N#Cc1c[nH]c2nc(N(c3cccc(F)c3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc12 ZINC001165479379 1026741916 /nfs/dbraw/zinc/74/19/16/1026741916.db2.gz WWHGZEIROQRWGF-GCJKJVERSA-N 1 0 391.450 3.623 20 30 GHEDRO Cc1nc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1CC#N ZINC001165481524 1026743360 /nfs/dbraw/zinc/74/33/60/1026743360.db2.gz QGOXJXWDMHKGAP-UNMCSNQZSA-N 1 0 380.467 3.644 20 30 GHEDRO CC(C)(C)N(c1nc(Cl)c(Cl)cc1C#N)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670858 1026791440 /nfs/dbraw/zinc/79/14/40/1026791440.db2.gz WIGSRWHGMPLEHD-ZDUSSCGKSA-N 1 0 383.323 3.776 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccccc1-c1cncnc1)CC2 ZINC001140020343 1026803823 /nfs/dbraw/zinc/80/38/23/1026803823.db2.gz UFAGFRXEVFJFOC-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO COc1cc(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)ccc1C#N ZINC000834340405 1026940220 /nfs/dbraw/zinc/94/02/20/1026940220.db2.gz RVVZQDXFBUAPTL-UHFFFAOYSA-N 1 0 392.503 3.658 20 30 GHEDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1O ZINC001140180421 1026953370 /nfs/dbraw/zinc/95/33/70/1026953370.db2.gz WOUXDCIBZOGOAR-HSZRJFAPSA-N 1 0 375.472 3.510 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1[nH]nc3ccc(Cl)cc31)C2 ZINC001209753141 1027145230 /nfs/dbraw/zinc/14/52/30/1027145230.db2.gz LSFSAQMRTOFLFB-PMACEKPBSA-N 1 0 375.900 3.790 20 30 GHEDRO C=CCCC(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203227783 1027240009 /nfs/dbraw/zinc/24/00/09/1027240009.db2.gz GITJOUJDSLHVCL-MRXNPFEDSA-N 1 0 377.533 3.685 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccccc1Br)C2 ZINC001203320235 1027271441 /nfs/dbraw/zinc/27/14/41/1027271441.db2.gz MDAVASMIYFEHKE-LJQANCHMSA-N 1 0 377.326 3.982 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1=S ZINC000840151689 1027283853 /nfs/dbraw/zinc/28/38/53/1027283853.db2.gz AYBFQJFEKQKTRD-HNNXBMFYSA-N 1 0 377.583 3.701 20 30 GHEDRO C=C(C)c1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC001210299281 1027435190 /nfs/dbraw/zinc/43/51/90/1027435190.db2.gz DSYLSJGZPCKKJI-RBBKRZOGSA-N 1 0 379.504 3.724 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)ccc1OC(C)=O ZINC001203831093 1027640692 /nfs/dbraw/zinc/64/06/92/1027640692.db2.gz XUPJFAJXGYYFLR-IBGZPJMESA-N 1 0 380.444 3.536 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)C1 ZINC001203836966 1027645538 /nfs/dbraw/zinc/64/55/38/1027645538.db2.gz LGAIBVHOLUVNBB-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO CSc1nc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)ccc1C#N ZINC001141934569 1027700806 /nfs/dbraw/zinc/70/08/06/1027700806.db2.gz PPKYVYQGKMXSQJ-KNQAVFIVSA-N 1 0 394.544 3.889 20 30 GHEDRO CSc1nc(C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)ccc1C#N ZINC001141936997 1027706787 /nfs/dbraw/zinc/70/67/87/1027706787.db2.gz JOAHFQRCBUMWCP-HXUWFJFHSA-N 1 0 398.557 3.756 20 30 GHEDRO C=CCCC1(CNC(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CCCC1 ZINC001210950958 1027717366 /nfs/dbraw/zinc/71/73/66/1027717366.db2.gz IFJWGFZIAWZPMI-UHFFFAOYSA-N 1 0 399.583 3.549 20 30 GHEDRO CSc1nc(C[N@H+](C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141946073 1027726533 /nfs/dbraw/zinc/72/65/33/1027726533.db2.gz YPWWJOBTOPIMRQ-KRWDZBQOSA-N 1 0 390.553 3.895 20 30 GHEDRO C(#Cc1ccccc1)c1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)s1 ZINC001141977990 1027793897 /nfs/dbraw/zinc/79/38/97/1027793897.db2.gz WBMRDBRUNFUFLY-UHFFFAOYSA-N 1 0 375.497 3.981 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)cc1 ZINC000840843557 1027875077 /nfs/dbraw/zinc/87/50/77/1027875077.db2.gz LRBFWWNQIKKCJI-HNNXBMFYSA-N 1 0 391.920 3.996 20 30 GHEDRO CSc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)s1 ZINC001142025807 1027912630 /nfs/dbraw/zinc/91/26/30/1027912630.db2.gz MNMWBXQMRPFVOE-FQEVSTJZSA-N 1 0 383.542 3.971 20 30 GHEDRO N#Cc1ccc([C@H](c2nc(-c3ccc4ccccc4c3)no2)N2CC[NH2+]CC2)cc1 ZINC001211380230 1027932164 /nfs/dbraw/zinc/93/21/64/1027932164.db2.gz XGHWVYWANULAAJ-JOCHJYFZSA-N 1 0 395.466 3.756 20 30 GHEDRO C#CCCCS(=O)(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000840947787 1027978542 /nfs/dbraw/zinc/97/85/42/1027978542.db2.gz LZYRVXSUNVYALQ-UHFFFAOYSA-N 1 0 396.556 3.901 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000840960582 1027991765 /nfs/dbraw/zinc/99/17/65/1027991765.db2.gz KXOHKYDFUVLILT-INIZCTEOSA-N 1 0 377.366 3.787 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001461312687 1069494484 /nfs/dbraw/zinc/49/44/84/1069494484.db2.gz PIMVNEIFIHGYSK-GBESFXJTSA-N 1 0 379.504 3.770 20 30 GHEDRO C[C@@H]([NH3+])c1ncc(-c2nc(-c3ccc(Br)cc3C#N)no2)s1 ZINC001213205015 1028044595 /nfs/dbraw/zinc/04/45/95/1028044595.db2.gz KHMBBPMSJPKHAH-SSDOTTSWSA-N 1 0 376.239 3.514 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)cc1OC ZINC001461352536 1069515200 /nfs/dbraw/zinc/51/52/00/1069515200.db2.gz LCZXFNWGAJTIEH-UHFFFAOYSA-N 1 0 382.382 3.842 20 30 GHEDRO C#CCOc1ccc(Br)cc1CN[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001203118377 1028318991 /nfs/dbraw/zinc/31/89/91/1028318991.db2.gz FVEVDUPFYASIOX-INIZCTEOSA-N 1 0 379.342 3.671 20 30 GHEDRO C#CCOc1ccc(Br)cc1CN[C@H](C)C[NH+]1CCC(C)CC1 ZINC001203118378 1028320166 /nfs/dbraw/zinc/32/01/66/1028320166.db2.gz FVEVDUPFYASIOX-MRXNPFEDSA-N 1 0 379.342 3.671 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)c1ccccc1 ZINC001214048323 1028523256 /nfs/dbraw/zinc/52/32/56/1028523256.db2.gz JUKPLPCFYZXTCL-OAQYLSRUSA-N 1 0 385.533 3.618 20 30 GHEDRO C[NH+]1CCN(c2cccnc2-c2nc(-c3ccc(C#N)c4ccccc34)no2)CC1 ZINC001214662461 1028845971 /nfs/dbraw/zinc/84/59/71/1028845971.db2.gz LMPZFKISOYBARD-UHFFFAOYSA-N 1 0 396.454 3.575 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001142417636 1028860677 /nfs/dbraw/zinc/86/06/77/1028860677.db2.gz VCFNDGSRDNOPPF-XZOQPEGZSA-N 1 0 375.516 3.685 20 30 GHEDRO C#CC[C@@H](NC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1)c1ccccc1 ZINC000841821790 1028968262 /nfs/dbraw/zinc/96/82/62/1028968262.db2.gz YUYDEKHCXOVHGB-LJQANCHMSA-N 1 0 381.476 3.522 20 30 GHEDRO CC[NH+]1CCN(c2ccc(-c3nc(-c4cc(C#N)ccc4F)no3)cc2)CC1 ZINC001215475888 1029231750 /nfs/dbraw/zinc/23/17/50/1029231750.db2.gz DLAHMQLXDMWESX-UHFFFAOYSA-N 1 0 377.423 3.556 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc1OC ZINC000842744456 1029552838 /nfs/dbraw/zinc/55/28/38/1029552838.db2.gz VXGFGEGGVVJQHD-MRXNPFEDSA-N 1 0 381.476 3.640 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2ccc(C#N)cc2I)c1F ZINC001216225774 1029574680 /nfs/dbraw/zinc/57/46/80/1029574680.db2.gz XRIVEOMRWOIZMG-UHFFFAOYSA-N 1 0 381.192 3.765 20 30 GHEDRO N#Cc1ccc(-c2noc(-c3ccc(CN4CC[NH2+]CC4)cc3)n2)c2ccccc12 ZINC001216457623 1029646472 /nfs/dbraw/zinc/64/64/72/1029646472.db2.gz DCJLVFPDLNXSDT-UHFFFAOYSA-N 1 0 395.466 3.834 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000842885713 1029661834 /nfs/dbraw/zinc/66/18/34/1029661834.db2.gz QTQRLBSJIGZHLF-QHAWAJNXSA-N 1 0 399.535 3.647 20 30 GHEDRO CC(C)COC[C@@H]1CN(Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(C)c21 ZINC001142916175 1029688799 /nfs/dbraw/zinc/68/87/99/1029688799.db2.gz ORKXFASNBSVSCG-SFHVURJKSA-N 1 0 377.492 3.545 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001222004542 1029926742 /nfs/dbraw/zinc/92/67/42/1029926742.db2.gz IXKRMUGAXHAUQG-NHCUHLMSSA-N 1 0 398.551 3.964 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3ccc(C(=O)OC)cc13)CCO2 ZINC001143235112 1029933942 /nfs/dbraw/zinc/93/39/42/1029933942.db2.gz CKJUSDUVQHMTOR-WMZHIEFXSA-N 1 0 398.503 3.528 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1=O ZINC001276827378 1029965161 /nfs/dbraw/zinc/96/51/61/1029965161.db2.gz GGVBWDCAUJONON-IBGZPJMESA-N 1 0 384.854 3.942 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3cc(Cl)cc(C#N)c3)n2)CC1 ZINC001216985680 1030052541 /nfs/dbraw/zinc/05/25/41/1030052541.db2.gz NHUDKTVAYGNGCP-UHFFFAOYSA-N 1 0 379.851 3.680 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC001217008256 1030080788 /nfs/dbraw/zinc/08/07/88/1030080788.db2.gz OHTDZHSUNGHMOA-OLZOCXBDSA-N 1 0 384.402 3.841 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001149205740 1030092214 /nfs/dbraw/zinc/09/22/14/1030092214.db2.gz NEBYOEBBTUFMLO-IAGOWNOFSA-N 1 0 382.426 3.873 20 30 GHEDRO N#CCc1ccc(OCc2ccc(-c3cnn(CC[NH+]4CCCC4)c3)nc2)cc1 ZINC001222466367 1030149754 /nfs/dbraw/zinc/14/97/54/1030149754.db2.gz ONVIAYDEPFHFPH-UHFFFAOYSA-N 1 0 387.487 3.686 20 30 GHEDRO N#Cc1ccc2c(c1)[nH]nc2-c1nc(-c2ncccc2C=C[NH+]2CCCC2)no1 ZINC001217660084 1030581328 /nfs/dbraw/zinc/58/13/28/1030581328.db2.gz YNADMJYBFBDZSZ-YRNVUSSQSA-N 1 0 383.415 3.613 20 30 GHEDRO C#CCN1CCC[C@@H](NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001223623731 1030667211 /nfs/dbraw/zinc/66/72/11/1030667211.db2.gz LYKRDKMVFLPDQD-NHCUHLMSSA-N 1 0 381.907 3.826 20 30 GHEDRO COc1cc(O[C@@H]2CCCC[NH2+]C2)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC001217973499 1030699404 /nfs/dbraw/zinc/69/94/04/1030699404.db2.gz DLMMBLYMDKKBBK-GANRHZMWSA-N 1 0 395.455 3.580 20 30 GHEDRO COc1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001217983143 1030704113 /nfs/dbraw/zinc/70/41/13/1030704113.db2.gz VLNBJTAAGODNLU-ZJPPFVSOSA-N 1 0 385.435 3.766 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217984317 1030705568 /nfs/dbraw/zinc/70/55/68/1030705568.db2.gz MPLYRZZDDMDXDD-PZJWPPBQSA-N 1 0 397.446 3.868 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@H]1CCC[NH2+]CC1 ZINC001217996720 1030711981 /nfs/dbraw/zinc/71/19/81/1030711981.db2.gz KUUARUDVLKJWID-QKUWTVCMSA-N 1 0 379.504 3.841 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[NH2+]CC[C@H]2F)c1C(=O)/C=C/c1ccccc1 ZINC001218016108 1030724095 /nfs/dbraw/zinc/72/40/95/1030724095.db2.gz CASANCISZFMOQZ-RXOIRPBWSA-N 1 0 385.435 3.766 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001223765492 1030743772 /nfs/dbraw/zinc/74/37/72/1030743772.db2.gz MRVUGTCCNHHOAR-JTSKRJEESA-N 1 0 378.472 3.772 20 30 GHEDRO COc1cc(OC2CC3(C2)CC[NH2+]C3)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218063270 1030751273 /nfs/dbraw/zinc/75/12/73/1030751273.db2.gz JDDKEQGDEPXMAG-WEVVVXLNSA-N 1 0 379.456 3.818 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3CC[NH2+]C[C@@H]3F)c2)cc1OC ZINC001218072906 1030755561 /nfs/dbraw/zinc/75/55/61/1030755561.db2.gz TYTFZGYTKMLOMW-QPKGLARBSA-N 1 0 385.435 3.679 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218104553 1030775511 /nfs/dbraw/zinc/77/55/11/1030775511.db2.gz OXCDZABXDFYUJP-HEPXYTLMSA-N 1 0 391.515 3.841 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218122834 1030785328 /nfs/dbraw/zinc/78/53/28/1030785328.db2.gz JKQGIECZHCBYHA-ZJSXRUAMSA-N 1 0 391.467 3.920 20 30 GHEDRO COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1O[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001218136037 1030791823 /nfs/dbraw/zinc/79/18/23/1030791823.db2.gz KBCPGIJDCXQUDO-ZYXQMIENSA-N 1 0 379.456 3.674 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc2cc(Br)ccc2c1Br ZINC001218202020 1030826349 /nfs/dbraw/zinc/82/63/49/1030826349.db2.gz WVWCYNGVRKGXQM-QMTHXVAHSA-N 1 0 396.082 3.855 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)cc(OC)c1C(=O)/C=C/c1ccccc1 ZINC001218211059 1030832925 /nfs/dbraw/zinc/83/29/25/1030832925.db2.gz PORUTQBBELAYHR-DGSRBQDKSA-N 1 0 379.456 3.897 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001218321492 1030891499 /nfs/dbraw/zinc/89/14/99/1030891499.db2.gz NPTWXYDGWQPPBP-NQLOOLMASA-N 1 0 385.435 3.679 20 30 GHEDRO CCCCCC(=O)C=C(O)C=Cc1ccc(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)c(OC)c1 ZINC001218325429 1030893706 /nfs/dbraw/zinc/89/37/06/1030893706.db2.gz FUBAUSLTSVPMIK-DWKCHCPESA-N 1 0 385.504 3.804 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001218404548 1030923097 /nfs/dbraw/zinc/92/30/97/1030923097.db2.gz JKWXSWWKVZCOQV-PMCOKCMASA-N 1 0 383.444 3.522 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[C@H](C)[NH2+]C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218406436 1030924122 /nfs/dbraw/zinc/92/41/22/1030924122.db2.gz JCQUNQHIVCJJBF-VNHYDRIJSA-N 1 0 383.444 3.522 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC001224253402 1030943735 /nfs/dbraw/zinc/94/37/35/1030943735.db2.gz KMVCIFFVGJTDKJ-HKUYNNGSSA-N 1 0 393.453 3.738 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2cccnc2Oc2ccc(C)c3c2CCC3)CCC[NH2+]1 ZINC001218501338 1030963364 /nfs/dbraw/zinc/96/33/64/1030963364.db2.gz PJPUFYXULZORKN-HSZRJFAPSA-N 1 0 375.472 3.755 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1c(C(=O)OCC)ncn1Cc1ccccc1 ZINC001218548398 1030983220 /nfs/dbraw/zinc/98/32/20/1030983220.db2.gz IBHQSDZQLMTKCX-SFHVURJKSA-N 1 0 398.507 3.510 20 30 GHEDRO C#CC[C@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1ccccc1 ZINC001224391040 1030985103 /nfs/dbraw/zinc/98/51/03/1030985103.db2.gz ZKATUFOPYUFMET-QFIPXVFZSA-N 1 0 375.516 3.714 20 30 GHEDRO COc1ccc(CC2(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[NH2+]CC2)cc1 ZINC001218560012 1030986553 /nfs/dbraw/zinc/98/65/53/1030986553.db2.gz YATHSCULTKRCIU-UHFFFAOYSA-N 1 0 394.519 3.674 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c1CN(Cc1ccccc1)C2 ZINC001151820737 1031018678 /nfs/dbraw/zinc/01/86/78/1031018678.db2.gz WKCOAAJOBGHBFA-NRFANRHFSA-N 1 0 375.516 3.583 20 30 GHEDRO Cc1ccc(C[C@H]([NH3+])C(=O)Nc2nc(-c3ccc(C#N)s3)cs2)c(C)c1 ZINC001218784574 1031078814 /nfs/dbraw/zinc/07/88/14/1031078814.db2.gz LXNSDCZPJZHUKQ-HNNXBMFYSA-N 1 0 382.514 3.869 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)CC[NH2+]2)c(OC(F)(F)F)c1 ZINC001218840015 1031106913 /nfs/dbraw/zinc/10/69/13/1031106913.db2.gz KEYONUBAIBVYIV-WBVHZDCISA-N 1 0 389.377 3.931 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)cnc3OC(C)C)C2)C1=O ZINC001276997290 1031121876 /nfs/dbraw/zinc/12/18/76/1031121876.db2.gz UYWLHMGYIKKUHT-HXUWFJFHSA-N 1 0 377.916 3.523 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC001218953309 1031174417 /nfs/dbraw/zinc/17/44/17/1031174417.db2.gz LZZOTALVFKBCPB-LBPRGKRZSA-N 1 0 383.320 3.754 20 30 GHEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC001461749613 1069722670 /nfs/dbraw/zinc/72/26/70/1069722670.db2.gz AMPYWJURBFUMNK-JOCHJYFZSA-N 1 0 388.490 3.866 20 30 GHEDRO C=CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc(OC)c1OC ZINC001152409771 1031225514 /nfs/dbraw/zinc/22/55/14/1031225514.db2.gz FRKXZFZVUPKSAR-NRFANRHFSA-N 1 0 394.515 3.745 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1Cl ZINC001461753925 1069725239 /nfs/dbraw/zinc/72/52/39/1069725239.db2.gz WZUFUNIWLCKCEJ-UHFFFAOYSA-N 1 0 379.909 3.641 20 30 GHEDRO COc1cc(O[C@H]2CCN(Cc3ccccc3C#N)C2)ccc1Br ZINC001225425881 1031402688 /nfs/dbraw/zinc/40/26/88/1031402688.db2.gz CVONECTYNBFQMB-KRWDZBQOSA-N 1 0 387.277 3.983 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@H]1CCSC12C[NH2+]C2 ZINC001219482418 1031448286 /nfs/dbraw/zinc/44/82/86/1031448286.db2.gz AKAORHMQFSLNBY-OAHLLOKOSA-N 1 0 379.001 3.603 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1cc(Cl)ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC001225517170 1031451858 /nfs/dbraw/zinc/45/18/58/1031451858.db2.gz WKZTUTAANIVUOQ-ZDUSSCGKSA-N 1 0 399.869 3.741 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC001225521259 1031455179 /nfs/dbraw/zinc/45/51/79/1031455179.db2.gz JUXQBMDKZNCLFS-UHFFFAOYSA-N 1 0 385.552 3.675 20 30 GHEDRO N#Cc1ccc(Br)cc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001225786959 1031604640 /nfs/dbraw/zinc/60/46/40/1031604640.db2.gz WOVQGXXTQPYPON-SFHVURJKSA-N 1 0 387.277 3.601 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768561 1031607381 /nfs/dbraw/zinc/60/73/81/1031607381.db2.gz NNSQHQFIIHCSMJ-OAQYLSRUSA-N 1 0 385.568 3.574 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cc(F)cc(C#N)c1 ZINC001219799631 1031626079 /nfs/dbraw/zinc/62/60/79/1031626079.db2.gz YWUGHLGMRCNWNR-JIPZTSHUSA-N 1 0 380.467 3.975 20 30 GHEDRO C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001153764299 1031734183 /nfs/dbraw/zinc/73/41/83/1031734183.db2.gz RHUHKEOWNBLOLL-QGZVFWFLSA-N 1 0 380.454 3.744 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)cc2n1 ZINC001220157741 1031806173 /nfs/dbraw/zinc/80/61/73/1031806173.db2.gz UHELPHQHABONSF-QGZVFWFLSA-N 1 0 389.503 3.791 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(Cl)cccc3SC)C2)C1=O ZINC001277107943 1031852332 /nfs/dbraw/zinc/85/23/32/1031852332.db2.gz RDZWNIPQWXDCGE-FQEVSTJZSA-N 1 0 392.952 3.979 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)NCC2(c3cccc(Cl)c3F)CCCC2)CC1 ZINC001226305546 1031909108 /nfs/dbraw/zinc/90/91/08/1031909108.db2.gz HMUFZOKCRKSMDB-UHFFFAOYSA-N 1 0 391.918 3.688 20 30 GHEDRO N#Cc1cccc2c1CC[C@H]2NC(=O)C[C@@H]([NH3+])Cc1csc2ccccc12 ZINC001220596581 1032002199 /nfs/dbraw/zinc/00/21/99/1032002199.db2.gz AFOFLABZRQIHRJ-OXJNMPFZSA-N 1 0 375.497 3.837 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3OC)CC2)C1=O ZINC001276815065 1032044601 /nfs/dbraw/zinc/04/46/01/1032044601.db2.gz MRVOYSFPSOUPTH-HXUWFJFHSA-N 1 0 395.330 3.840 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1 ZINC001220664230 1032052025 /nfs/dbraw/zinc/05/20/25/1032052025.db2.gz ZNZRWFOYROAGTE-SESVDKBCSA-N 1 0 394.515 3.766 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001205391793 1033390731 /nfs/dbraw/zinc/39/07/31/1033390731.db2.gz SXJFJBBFPFJUNU-INIZCTEOSA-N 1 0 391.496 3.723 20 30 GHEDRO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3c(Cl)cc(F)cc3Cl)C2)C1=O ZINC001277374133 1033399593 /nfs/dbraw/zinc/39/95/93/1033399593.db2.gz KCQWIKZKOSLMRU-SFHVURJKSA-N 1 0 384.282 3.861 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)ccc1F ZINC001205472503 1033428971 /nfs/dbraw/zinc/42/89/71/1033428971.db2.gz DUIUSNBZKQJMCY-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO O=C1C=CC(=O)c2c(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc(O)c21 ZINC001229406758 1033464052 /nfs/dbraw/zinc/46/40/52/1033464052.db2.gz CFRNFVDAHXDGEB-CSODHUTKSA-N 1 0 389.451 3.617 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229448620 1033486825 /nfs/dbraw/zinc/48/68/25/1033486825.db2.gz MSCWTQQGOVIHEH-AZUAARDMSA-N 1 0 385.508 3.810 20 30 GHEDRO N#Cc1ncn(CC[NH2+]Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)n1 ZINC001205722618 1033547308 /nfs/dbraw/zinc/54/73/08/1033547308.db2.gz SMSRSSKWYFHNHA-UHFFFAOYSA-N 1 0 389.793 3.663 20 30 GHEDRO COc1cc(C(F)(F)N2C[C@@H](CC[NH3+])c3ccccc32)c(C#N)c(Cl)n1 ZINC001157748354 1033751701 /nfs/dbraw/zinc/75/17/01/1033751701.db2.gz VUSMPWJQSKRAKE-LLVKDONJSA-N 1 0 378.810 3.617 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@](F)(C[NH3+])C3)cnc2Cl)cc1 ZINC001157817045 1033780062 /nfs/dbraw/zinc/78/00/62/1033780062.db2.gz PGWMLSNEUQKUOO-KRWDZBQOSA-N 1 0 380.801 3.696 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(C3(Cc4ccc(F)cc4)CC[NH2+]CC3)n2)c1 ZINC001206349305 1033808107 /nfs/dbraw/zinc/80/81/07/1033808107.db2.gz LQNGQFWTXAJYJP-UHFFFAOYSA-N 1 0 380.398 3.750 20 30 GHEDRO CC(C)N([C@H]1CC[NH2+]C1)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl 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ZINC001159576655 1034676509 /nfs/dbraw/zinc/67/65/09/1034676509.db2.gz UFLFDAVUAWHTSX-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO N#Cc1cc(Nc2cccc(C(=O)Nc3ccccc3)c2)ccc1N1CC[NH2+]CC1 ZINC001159743080 1034730840 /nfs/dbraw/zinc/73/08/40/1034730840.db2.gz SOGCZIAIAZZYIE-UHFFFAOYSA-N 1 0 397.482 3.964 20 30 GHEDRO N#Cc1cc(Nc2cccc(OC(F)(F)F)c2F)ccc1N1CC[NH2+]CC1 ZINC001159748993 1034732223 /nfs/dbraw/zinc/73/22/23/1034732223.db2.gz UDVDLHASKAALGH-UHFFFAOYSA-N 1 0 380.345 3.749 20 30 GHEDRO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)CC1 ZINC001208158689 1034763519 /nfs/dbraw/zinc/76/35/19/1034763519.db2.gz BFKFJONIHQLDFR-IMSXRSKXSA-N 1 0 394.563 3.864 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(C#N)cc2OC)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001231619663 1034777630 /nfs/dbraw/zinc/77/76/30/1034777630.db2.gz YTFBNWSLFJBISX-GMAHTHKFSA-N 1 0 381.520 3.712 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)CC1 ZINC001208177617 1034777947 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XPAQHORCYSNKIK-LOSJGSFVSA-N 1 0 390.527 3.959 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001160012256 1034828359 /nfs/dbraw/zinc/82/83/59/1034828359.db2.gz RAWDMNDJKDBBRR-CYBMUJFWSA-N 1 0 396.878 3.925 20 30 GHEDRO Cc1cc(Nc2cccc3c2CC[NH2+]C3)c(I)cc1C#N ZINC001160234567 1034911553 /nfs/dbraw/zinc/91/15/53/1034911553.db2.gz FYRKFJHGESMVJO-UHFFFAOYSA-N 1 0 389.240 3.861 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H]2CC ZINC001231818788 1034927470 /nfs/dbraw/zinc/92/74/70/1034927470.db2.gz XJXMMCCACXIGSU-VWNXMTODSA-N 1 0 394.563 3.958 20 30 GHEDRO COc1ccccc1[C@H](O)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)C(C)C ZINC001231819949 1034928107 /nfs/dbraw/zinc/92/81/07/1034928107.db2.gz JDRACQDUZBJIPK-JOCHJYFZSA-N 1 0 381.520 3.989 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 ZINC001231820790 1034928940 /nfs/dbraw/zinc/92/89/40/1034928940.db2.gz TVHVDKRWHBYLEV-UHFFFAOYSA-N 1 0 386.540 3.868 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnc(C(F)(F)F)cc3Cl)C2)C1=O ZINC001231899308 1034977710 /nfs/dbraw/zinc/97/77/10/1034977710.db2.gz HUUUIUWXGGSQBY-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3C)C2)C1=O ZINC001276583202 1035011614 /nfs/dbraw/zinc/01/16/14/1035011614.db2.gz UJUVYXXVXXWQQO-LJQANCHMSA-N 1 0 377.326 3.676 20 30 GHEDRO CN(Cc1sc2ccccc2c1Cl)C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001160673037 1035031786 /nfs/dbraw/zinc/03/17/86/1035031786.db2.gz BVVAVEOQHIACHW-INIZCTEOSA-N 1 0 383.904 3.955 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001208828285 1035044779 /nfs/dbraw/zinc/04/47/79/1035044779.db2.gz JSEWAMXSJRQAHW-KRWDZBQOSA-N 1 0 381.314 3.758 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@H+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851790 1035057890 /nfs/dbraw/zinc/05/78/90/1035057890.db2.gz LORXMACHQAQXGZ-HSZRJFAPSA-N 1 0 399.535 3.593 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1 ZINC001208859102 1035062279 /nfs/dbraw/zinc/06/22/79/1035062279.db2.gz LPZQIRDEPZZPJN-XMMPIXPASA-N 1 0 375.516 3.862 20 30 GHEDRO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CCCc2ccc(C#N)cc2)n1 ZINC001208858412 1035062803 /nfs/dbraw/zinc/06/28/03/1035062803.db2.gz FNKMHBMYPNUOQK-RBZQAINGSA-N 1 0 391.515 3.643 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001208859310 1035063052 /nfs/dbraw/zinc/06/30/52/1035063052.db2.gz PAEDVPRXUCNERW-UHFFFAOYSA-N 1 0 390.531 3.858 20 30 GHEDRO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](CCCc3ccc(C#N)cc3)C2)c1 ZINC001208864116 1035065374 /nfs/dbraw/zinc/06/53/74/1035065374.db2.gz IQTJVKXYCFEPRZ-OAQYLSRUSA-N 1 0 382.529 3.774 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)cc1 ZINC001208864324 1035065831 /nfs/dbraw/zinc/06/58/31/1035065831.db2.gz PFWQBUORVZIUHL-UHFFFAOYSA-N 1 0 383.499 3.770 20 30 GHEDRO C=C(C)CS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001208889565 1035076136 /nfs/dbraw/zinc/07/61/36/1035076136.db2.gz LABAIQADOSVUGI-UHFFFAOYSA-N 1 0 391.364 3.797 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c(C)n1 ZINC001232084940 1035086733 /nfs/dbraw/zinc/08/67/33/1035086733.db2.gz ZDNLGPWAHKUXAK-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)cc1 ZINC001208926377 1035091962 /nfs/dbraw/zinc/09/19/62/1035091962.db2.gz QOAQNDZVJAQZKE-UHFFFAOYSA-N 1 0 394.828 3.990 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)cc1 ZINC001208927216 1035092581 /nfs/dbraw/zinc/09/25/81/1035092581.db2.gz TYDJKCLQZFPLPN-DNQXCXABSA-N 1 0 391.515 3.584 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)cc1Cl ZINC001232114386 1035103553 /nfs/dbraw/zinc/10/35/53/1035103553.db2.gz HSEIIVFEYOHRNW-UHFFFAOYSA-N 1 0 375.863 3.664 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cc1Cl ZINC001232119921 1035107721 /nfs/dbraw/zinc/10/77/21/1035107721.db2.gz KLTPBOAVWZFEAO-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1c(F)cncc1Br)C2 ZINC001232127542 1035111225 /nfs/dbraw/zinc/11/12/25/1035111225.db2.gz RKFJNKTWDRXANP-QZTJIDSGSA-N 1 0 399.304 3.557 20 30 GHEDRO CC(C)(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001160994348 1035114548 /nfs/dbraw/zinc/11/45/48/1035114548.db2.gz UCDHSSFNSJQOBY-RTWAWAEBSA-N 1 0 375.516 3.718 20 30 GHEDRO CCC(CC)[NH+]1CCC(NC(F)(F)c2cc(OC)nc(Cl)c2C#N)CC1 ZINC001161099007 1035140408 /nfs/dbraw/zinc/14/04/08/1035140408.db2.gz SOAOGJXTMYEFOI-UHFFFAOYSA-N 1 0 386.874 3.907 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(NC(C)=O)cc1C)CC2 ZINC001232184641 1035151449 /nfs/dbraw/zinc/15/14/49/1035151449.db2.gz QICRRNWYIKNZEK-UHFFFAOYSA-N 1 0 399.535 3.954 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](CC[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001209177896 1035202329 /nfs/dbraw/zinc/20/23/29/1035202329.db2.gz SPFIMCJPVWVOIL-QZTJIDSGSA-N 1 0 395.544 3.543 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccc4ccccc4c3)C2)cc1 ZINC001161324166 1035208598 /nfs/dbraw/zinc/20/85/98/1035208598.db2.gz LHVUSERLUBFBBD-GOTSBHOMSA-N 1 0 385.467 3.781 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161496460 1035241541 /nfs/dbraw/zinc/24/15/41/1035241541.db2.gz PAQBXVUSBJANDL-UHFFFAOYSA-N 1 0 377.879 3.932 20 30 GHEDRO CCN(C(=O)N[C@H](CC#N)C(F)(F)F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001209330404 1035243645 /nfs/dbraw/zinc/24/36/45/1035243645.db2.gz QTNPHBFWFRNBES-BHYGNILZSA-N 1 0 382.430 3.698 20 30 GHEDRO COc1cc(C#N)nc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)c1 ZINC001161577621 1035262742 /nfs/dbraw/zinc/26/27/42/1035262742.db2.gz LZYGAVCKDBCPST-UHFFFAOYSA-N 1 0 390.409 3.714 20 30 GHEDRO COc1cc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)ncc1C#N ZINC001161576926 1035263097 /nfs/dbraw/zinc/26/30/97/1035263097.db2.gz CROBHQPWTJPRMG-UHFFFAOYSA-N 1 0 390.409 3.714 20 30 GHEDRO N#Cc1ccnc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)c1F ZINC001161577907 1035263441 /nfs/dbraw/zinc/26/34/41/1035263441.db2.gz UATYYXCSWZIUSZ-UHFFFAOYSA-N 1 0 378.373 3.844 20 30 GHEDRO C=CCCCCCC[N@@H+]1Cc2cn(CC3CCOCC3)nc2[C@H](COC)C1 ZINC001209435052 1035273746 /nfs/dbraw/zinc/27/37/46/1035273746.db2.gz DRHYKLBUQWDKAC-NRFANRHFSA-N 1 0 375.557 3.992 20 30 GHEDRO C=CCCCCCC[N@H+]1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001209437775 1035274589 /nfs/dbraw/zinc/27/45/89/1035274589.db2.gz UCVVZMMJYAGJFX-NRFANRHFSA-N 1 0 376.520 3.671 20 30 GHEDRO C=CCCCCCCC[N@@H+]1Cc2nnn(C)c2[C@@H](COCc2cccnc2)C1 ZINC001209441139 1035275236 /nfs/dbraw/zinc/27/52/36/1035275236.db2.gz HYGLXCURMIITGS-HXUWFJFHSA-N 1 0 383.540 3.853 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001209596073 1035322845 /nfs/dbraw/zinc/32/28/45/1035322845.db2.gz PBWCGJQZXHVKHH-ICSRJNTNSA-N 1 0 375.900 3.790 20 30 GHEDRO CCOc1cc(C(=O)OC)ccc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001209685672 1035355165 /nfs/dbraw/zinc/35/51/65/1035355165.db2.gz RGIKINWLGVRRGD-HXUWFJFHSA-N 1 0 394.471 3.787 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccccc3N3CCCCC3)no2)c1 ZINC001248153301 1035578933 /nfs/dbraw/zinc/57/89/33/1035578933.db2.gz AORHIKQRPNFLPD-LJQANCHMSA-N 1 0 387.487 3.711 20 30 GHEDRO CC(C)(C)Oc1ccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)cc1 ZINC001248155316 1035581678 /nfs/dbraw/zinc/58/16/78/1035581678.db2.gz PDEMMYPGHKEWAV-GOSISDBHSA-N 1 0 376.460 3.898 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc4nccc(Cl)c4c3)no2)cc1 ZINC001248157260 1035584103 /nfs/dbraw/zinc/58/41/03/1035584103.db2.gz OHAXFXSJHFPRTJ-INIZCTEOSA-N 1 0 389.846 3.922 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@H]([NH3+])Cc1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001248175875 1035604112 /nfs/dbraw/zinc/60/41/12/1035604112.db2.gz FMBIMVMYGSWYPE-HNNXBMFYSA-N 1 0 392.459 3.753 20 30 GHEDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3C#N)n2)cc1Br ZINC001248179019 1035606659 /nfs/dbraw/zinc/60/66/59/1035606659.db2.gz CFIOBZKVLRMQJD-INIZCTEOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001248180519 1035608173 /nfs/dbraw/zinc/60/81/73/1035608173.db2.gz VHEVGZCIZWZXDE-AWEZNQCLSA-N 1 0 390.340 3.879 20 30 GHEDRO Cc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1NC(=O)c1cccc(C#N)c1 ZINC001241777006 1035694263 /nfs/dbraw/zinc/69/42/63/1035694263.db2.gz ZGBVRBWCZDACKJ-UHFFFAOYSA-N 1 0 385.471 3.907 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc(C[C@H]([NH3+])c3ccc(Br)cc3)n2)c1 ZINC001248256832 1035706401 /nfs/dbraw/zinc/70/64/01/1035706401.db2.gz DTELZTGHNONZKH-HNNXBMFYSA-N 1 0 387.212 3.752 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(O)c(C#N)c2)nc2ccccc21 ZINC001242562509 1035924545 /nfs/dbraw/zinc/92/45/45/1035924545.db2.gz BYWFXIFCEHFCSE-UHFFFAOYSA-N 1 0 388.471 3.551 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1c(C)cccc1Br)CC2 ZINC001248608210 1035986950 /nfs/dbraw/zinc/98/69/50/1035986950.db2.gz HXTKTJVTDZMAKY-UHFFFAOYSA-N 1 0 390.325 3.752 20 30 GHEDRO C#CCN1CCC[C@@H](NC(=O)N(Cc2ccccc2)Cc2ccccc2C)C1 ZINC001248676152 1036044568 /nfs/dbraw/zinc/04/45/68/1036044568.db2.gz KSTOKHIBIOFWNE-HSZRJFAPSA-N 1 0 375.516 3.804 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1Oc1ccccc1 ZINC001462092312 1069990249 /nfs/dbraw/zinc/99/02/49/1069990249.db2.gz UNRZDNWTXYSXFF-BDTNDASRSA-N 1 0 389.499 3.889 20 30 GHEDRO C[N@H+](C1CC1)C1CCN(C(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001245770788 1036992395 /nfs/dbraw/zinc/99/23/95/1036992395.db2.gz MQBRAKYJIJKOEZ-UHFFFAOYSA-N 1 0 382.455 3.832 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCCC3(C[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001245916416 1037056435 /nfs/dbraw/zinc/05/64/35/1037056435.db2.gz YRISCEAXEOLHLA-UHFFFAOYSA-N 1 0 376.529 3.853 20 30 GHEDRO Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC[C@@]1(O)CCC[NH2+]C1 ZINC001245964605 1037087605 /nfs/dbraw/zinc/08/76/05/1037087605.db2.gz YZHSAUWXISDISY-CYBMUJFWSA-N 1 0 388.327 3.811 20 30 GHEDRO C=CCCCCCC[C@H](O)CN[C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001245982887 1037108389 /nfs/dbraw/zinc/10/83/89/1037108389.db2.gz PXFWXGSSGARVDT-VXKWHMMOSA-N 1 0 390.568 3.705 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)CN[C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246016137 1037136310 /nfs/dbraw/zinc/13/63/10/1037136310.db2.gz RVUBMNJZBWIVBO-LDVJMBRRSA-N 1 0 398.632 3.641 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246036006 1037152855 /nfs/dbraw/zinc/15/28/55/1037152855.db2.gz VWIIGSVCUVFRKK-ZLNRFVROSA-N 1 0 398.632 3.738 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246310687 1037290167 /nfs/dbraw/zinc/29/01/67/1037290167.db2.gz HMUWXLSSOUIQAE-MBSDFSHPSA-N 1 0 398.547 3.986 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(O)c4ncccc34)C2)C1 ZINC001232273467 1037999476 /nfs/dbraw/zinc/99/94/76/1037999476.db2.gz XQSBGPAOSHZOBQ-JOCHJYFZSA-N 1 0 381.476 3.551 20 30 GHEDRO N#Cc1ccc(-c2noc([C@H](c3ccco3)N3CCC[C@@H]([NH3+])C3)n2)c2ccccc12 ZINC001247328030 1038124925 /nfs/dbraw/zinc/12/49/25/1038124925.db2.gz PIMNZTNCHDOFIS-IERDGZPVSA-N 1 0 399.454 3.867 20 30 GHEDRO C#CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3cc(Cl)cs3)C2)C1=O ZINC001277673140 1038269569 /nfs/dbraw/zinc/26/95/69/1038269569.db2.gz KHLZDJCPLVEMTP-CTNGQTDRSA-N 1 0 384.932 3.853 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cccc(CF)n3)C[C@@H]2c2ccccc2)C1=O ZINC001232534352 1038302975 /nfs/dbraw/zinc/30/29/75/1038302975.db2.gz ORXDTJMKKJXPSV-GGAORHGYSA-N 1 0 379.479 3.555 20 30 GHEDRO C=CCCCNC(=S)Nc1ccc(Br)cc1OCC[NH+](C)C ZINC001247768720 1038371107 /nfs/dbraw/zinc/37/11/07/1038371107.db2.gz VCPJRWMRFXLLBR-UHFFFAOYSA-N 1 0 386.359 3.642 20 30 GHEDRO Cc1cccc2c1C1(C[C@H]2Cc2nc(-c3ccc(C#N)cn3)no2)CC[NH2+]CC1 ZINC001247843662 1038419131 /nfs/dbraw/zinc/41/91/31/1038419131.db2.gz RDGHRSXYHNUWDO-QGZVFWFLSA-N 1 0 385.471 3.663 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2c[nH]c3ncncc23)CC1 ZINC001232656884 1038448828 /nfs/dbraw/zinc/44/88/28/1038448828.db2.gz ICUYDDZHGOZTQD-UHFFFAOYSA-N 1 0 396.292 3.729 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)s1 ZINC001232843167 1038593545 /nfs/dbraw/zinc/59/35/45/1038593545.db2.gz SBUJILGKBZSHIW-KRWDZBQOSA-N 1 0 383.517 3.712 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)s1 ZINC001232842689 1038593704 /nfs/dbraw/zinc/59/37/04/1038593704.db2.gz CFNDTCDOJBPJTG-LEWJYISDSA-N 1 0 383.517 3.603 20 30 GHEDRO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](Cc2ccc(C#N)s2)C3)n1 ZINC001232843896 1038594791 /nfs/dbraw/zinc/59/47/91/1038594791.db2.gz ZWYWLNGJVAKUIQ-FCHUYYIVSA-N 1 0 397.544 3.911 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232872403 1038639082 /nfs/dbraw/zinc/63/90/82/1038639082.db2.gz XPDPNXFFJQUVPV-UHFFFAOYSA-N 1 0 377.444 3.797 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@H]2CF)CC1 ZINC001232890181 1038675203 /nfs/dbraw/zinc/67/52/03/1038675203.db2.gz YUHIBUBOCHUNFQ-SJLPKXTDSA-N 1 0 391.462 3.772 20 30 GHEDRO COC(CN(Cc1ccccc1)Cc1ccc(Br)c(C#N)c1)OC ZINC001232894307 1038684058 /nfs/dbraw/zinc/68/40/58/1038684058.db2.gz XVVNJLCAKYAPKW-UHFFFAOYSA-N 1 0 389.293 3.942 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C2CC[NH+](Cc3cccc(C#N)n3)CC2)CC1 ZINC001232924550 1038713830 /nfs/dbraw/zinc/71/38/30/1038713830.db2.gz JTIPQZFLZNNDLL-UHFFFAOYSA-N 1 0 384.524 3.812 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnc(OC)c4ccccc34)C2)C1 ZINC001232947282 1038724440 /nfs/dbraw/zinc/72/44/40/1038724440.db2.gz NBDXATRGTDROBT-HSZRJFAPSA-N 1 0 395.503 3.854 20 30 GHEDRO Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C#N)c1 ZINC001232965311 1038738919 /nfs/dbraw/zinc/73/89/19/1038738919.db2.gz VESCUMYASJRIGE-RPBOFIJWSA-N 1 0 393.575 3.827 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(C#N)cc4C)C3)CC2=O)cc1 ZINC001233079711 1038845743 /nfs/dbraw/zinc/84/57/43/1038845743.db2.gz KQLGGXVKZZFUHZ-HSZRJFAPSA-N 1 0 375.472 3.504 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001233081699 1038851592 /nfs/dbraw/zinc/85/15/92/1038851592.db2.gz LYQPSTVTDFJFQS-BJKOFHAPSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1cc(C#N)ccc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001233081608 1038852095 /nfs/dbraw/zinc/85/20/95/1038852095.db2.gz IPYVWZTVNSDOBU-DQEYMECFSA-N 1 0 393.575 3.827 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001233082225 1038853730 /nfs/dbraw/zinc/85/37/30/1038853730.db2.gz GSXILYDJHGPVDN-UHFFFAOYSA-N 1 0 387.524 3.715 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001252128127 1038880568 /nfs/dbraw/zinc/88/05/68/1038880568.db2.gz IUHSLUXSJSYJOS-NRFANRHFSA-N 1 0 389.584 3.864 20 30 GHEDRO CN(C)c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c(F)c1C#N ZINC001233101428 1038880928 /nfs/dbraw/zinc/88/09/28/1038880928.db2.gz XJKPNGVGYVRZRM-UHFFFAOYSA-N 1 0 396.510 3.844 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001252136656 1038887568 /nfs/dbraw/zinc/88/75/68/1038887568.db2.gz SQWQICYTAOSOOF-RBUKOAKNSA-N 1 0 398.588 3.714 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1CCN(C(=O)c2cccnc2)CC1 ZINC001252138824 1038888731 /nfs/dbraw/zinc/88/87/31/1038888731.db2.gz GIBZPJOOAGQFFW-OAQYLSRUSA-N 1 0 375.557 3.635 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(c2cc(OC)ccn2)CCOCC1 ZINC001252139385 1038889237 /nfs/dbraw/zinc/88/92/37/1038889237.db2.gz MTEHBIJZGFDXJJ-IBGZPJMESA-N 1 0 378.557 3.840 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccnc2)CC1 ZINC001252139279 1038889722 /nfs/dbraw/zinc/88/97/22/1038889722.db2.gz LOKQBOOXJDITTL-NJDAHSKKSA-N 1 0 375.557 3.824 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(c2cc(OC)ccn2)CCOCC1 ZINC001252139387 1038890058 /nfs/dbraw/zinc/89/00/58/1038890058.db2.gz MTEHBIJZGFDXJJ-LJQANCHMSA-N 1 0 378.557 3.840 20 30 GHEDRO C[C@](O)(C[NH+]1CCCCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323621 1038942710 /nfs/dbraw/zinc/94/27/10/1038942710.db2.gz ZHZRDROFERNOGS-SFHVURJKSA-N 1 0 383.414 3.533 20 30 GHEDRO Cc1cc(F)cc(Cl)c1C[NH+]1CCC2(C[C@@H]2C(=O)NCCCC#N)CC1 ZINC001277778595 1038976101 /nfs/dbraw/zinc/97/61/01/1038976101.db2.gz PHBOAYRPMLIORG-QGZVFWFLSA-N 1 0 377.891 3.810 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]C1(c2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583610 1039038480 /nfs/dbraw/zinc/03/84/80/1039038480.db2.gz ONSTYKWWVLDADK-FQEVSTJZSA-N 1 0 378.488 3.579 20 30 GHEDRO C=CCC[C@H](O)C[N@H+](Cc1cccnc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001252603679 1039045199 /nfs/dbraw/zinc/04/51/99/1039045199.db2.gz DQTAJQSELIGPNN-PMACEKPBSA-N 1 0 389.540 3.610 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]CC1(Cc2cccc(Br)c2)CCOCC1 ZINC001252622190 1039052492 /nfs/dbraw/zinc/05/24/92/1039052492.db2.gz PXZSOWTZIUZNEE-GOSISDBHSA-N 1 0 382.342 3.705 20 30 GHEDRO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001252679711 1039078446 /nfs/dbraw/zinc/07/84/46/1039078446.db2.gz AKSZBNYRMUWDRI-PKTZIBPZSA-N 1 0 378.516 3.604 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC001233340369 1039144618 /nfs/dbraw/zinc/14/46/18/1039144618.db2.gz AEPMNTPCKVVFCL-GOSISDBHSA-N 1 0 389.496 3.910 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)C2 ZINC001233431295 1039302779 /nfs/dbraw/zinc/30/27/79/1039302779.db2.gz RSCPUYCNZHFJHS-UGKGYDQZSA-N 1 0 390.524 3.845 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c[nH]c(Br)c1)CC2 ZINC001233434170 1039309042 /nfs/dbraw/zinc/30/90/42/1039309042.db2.gz DSQCLBFRGYSKAH-UHFFFAOYSA-N 1 0 396.329 3.778 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC(OCC(=O)NCCC)CC1 ZINC001252982691 1039310774 /nfs/dbraw/zinc/31/07/74/1039310774.db2.gz LCNYEHSWHACGIE-HXUWFJFHSA-N 1 0 384.605 3.885 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H](C(=O)NC(C)C)C[C@H]21 ZINC001252984332 1039311985 /nfs/dbraw/zinc/31/19/85/1039311985.db2.gz GZGCSGRWXDUDFR-DXBBTUNJSA-N 1 0 396.616 3.882 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@H](CC)CCCC)C2 ZINC001252997644 1039326259 /nfs/dbraw/zinc/32/62/59/1039326259.db2.gz HKSULDUKCHAUNH-SSGKUCQKSA-N 1 0 397.600 3.654 20 30 GHEDRO N#Cc1cc(C(F)(F)F)cnc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001233511886 1039400225 /nfs/dbraw/zinc/40/02/25/1039400225.db2.gz QKCFOXWEYCHMBT-GOSISDBHSA-N 1 0 391.393 3.642 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001253238404 1039494633 /nfs/dbraw/zinc/49/46/33/1039494633.db2.gz DRMYRLXESHKNFE-ISKFKSNPSA-N 1 0 395.547 3.875 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001253238114 1039495077 /nfs/dbraw/zinc/49/50/77/1039495077.db2.gz BGSQJAUVSQOZCC-INIZCTEOSA-N 1 0 386.462 3.505 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)c1ncc(C)n1CCN2CC ZINC001253238657 1039495185 /nfs/dbraw/zinc/49/51/85/1039495185.db2.gz SWXBJMFTFXXFGC-OAQYLSRUSA-N 1 0 388.600 3.706 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001253239972 1039496642 /nfs/dbraw/zinc/49/66/42/1039496642.db2.gz WNLBOZWMOLLXDF-QZNHQXDQSA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(Oc2nc(C)cc(OC)n2)CC1 ZINC001253243515 1039500401 /nfs/dbraw/zinc/50/04/01/1039500401.db2.gz WNQFPBPOSDWMHO-GOSISDBHSA-N 1 0 377.529 3.524 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCS(=O)(=O)CC1 ZINC001253253210 1039504833 /nfs/dbraw/zinc/50/48/33/1039504833.db2.gz DPPNDHWINOZYHL-OAQYLSRUSA-N 1 0 393.593 3.654 20 30 GHEDRO COc1cc(/C=N/O)ccc1O[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001233803898 1039628833 /nfs/dbraw/zinc/62/88/33/1039628833.db2.gz UVRCUZGXVADGHE-GNZXAGPDSA-N 1 0 381.885 3.657 20 30 GHEDRO C[NH+]1CCC(C#N)(NC[C@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)CC1 ZINC001253498667 1039680030 /nfs/dbraw/zinc/68/00/30/1039680030.db2.gz IGTHLIRDLIPFOT-OAQYLSRUSA-N 1 0 377.960 3.627 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21 ZINC001253599932 1039716575 /nfs/dbraw/zinc/71/65/75/1039716575.db2.gz UPROCDHWXBKKRT-APWZRJJASA-N 1 0 390.499 3.676 20 30 GHEDRO C=C[C@@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608621 1039720661 /nfs/dbraw/zinc/72/06/61/1039720661.db2.gz DFAUFXPJWYAZDR-VQIMIIECSA-N 1 0 378.488 3.650 20 30 GHEDRO C=C[C@H](O)C[NH2+]CCCCCCNC(=O)c1c2ccccc2nc2ccccc21 ZINC001253612222 1039721145 /nfs/dbraw/zinc/72/11/45/1039721145.db2.gz XHYNSUKIMNOWIB-SFHVURJKSA-N 1 0 391.515 3.815 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1cncn1C ZINC001253616272 1039727498 /nfs/dbraw/zinc/72/74/98/1039727498.db2.gz RFASYPNAZBEAKZ-JOCHJYFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC[C@@H](C)O ZINC001253616776 1039729397 /nfs/dbraw/zinc/72/93/97/1039729397.db2.gz IFUYISMIGCRRIK-NHCUHLMSSA-N 1 0 375.594 3.662 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c[nH]c(=O)c3ccccc13)CC2 ZINC001233965582 1039733113 /nfs/dbraw/zinc/73/31/13/1039733113.db2.gz YKYTWSXAQCZRHI-UHFFFAOYSA-N 1 0 395.503 3.941 20 30 GHEDRO COc1cc(/C=C\C(C)=O)ccc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001234339424 1039974996 /nfs/dbraw/zinc/97/49/96/1039974996.db2.gz ORCRPBWBLMUMFW-HEDKFQSOSA-N 1 0 381.472 3.577 20 30 GHEDRO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2Cl)cc1C#N ZINC001277859363 1040066235 /nfs/dbraw/zinc/06/62/35/1040066235.db2.gz MOSGHRZBYSPCQY-GOOCMWNKSA-N 1 0 388.924 3.537 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+]C3CCC(C#N)(c4ccc(F)cc4)CC3)[C@@H]2C1 ZINC001254346601 1040180223 /nfs/dbraw/zinc/18/02/23/1040180223.db2.gz RPKDWIXBQZQITB-SDVQCAHRSA-N 1 0 399.510 3.985 20 30 GHEDRO Cn1cc(Br)c(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)n1 ZINC001254347991 1040182137 /nfs/dbraw/zinc/18/21/37/1040182137.db2.gz XOLXKHFHQKSYDW-UHFFFAOYSA-N 1 0 391.288 3.815 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCCN(c3ccncn3)C2)CC1 ZINC001254350311 1040183424 /nfs/dbraw/zinc/18/34/24/1040183424.db2.gz HWRLZFUPHJSBCD-FUHYEJFZSA-N 1 0 379.483 3.578 20 30 GHEDRO COC[C@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)Cc2cn(C)nc21 ZINC001254354007 1040186197 /nfs/dbraw/zinc/18/61/97/1040186197.db2.gz CFJZAGLXIZOHLJ-FEPNQTLGSA-N 1 0 382.483 3.509 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCCN(c3ncccn3)CC2)CC1 ZINC001254355873 1040188601 /nfs/dbraw/zinc/18/86/01/1040188601.db2.gz LPFKDGPUZLAXKP-UHFFFAOYSA-N 1 0 379.483 3.532 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC001254357471 1040190221 /nfs/dbraw/zinc/19/02/21/1040190221.db2.gz GHEPQLIMLLKOKU-RHKCVOJBSA-N 1 0 383.511 3.864 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC001254481006 1040268801 /nfs/dbraw/zinc/26/88/01/1040268801.db2.gz JEOSIQONOGOADQ-QHCPKHFHSA-N 1 0 390.531 3.579 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001254482291 1040270549 /nfs/dbraw/zinc/27/05/49/1040270549.db2.gz RTXLJBWROPNNBS-JPYJTQIMSA-N 1 0 394.563 3.712 20 30 GHEDRO COc1ccc2c(c1)CCc1cc(O[C@H](CC#N)C[N+](C)(C)C)cc(OC)c1-2 ZINC001234774269 1040302347 /nfs/dbraw/zinc/30/23/47/1040302347.db2.gz FIVIZWRFVMOBKC-LJQANCHMSA-N 1 0 381.496 3.837 20 30 GHEDRO CC(C)C(=O)N(C)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001234836533 1040357138 /nfs/dbraw/zinc/35/71/38/1040357138.db2.gz KLWIIZJJLFMVFT-JOCHJYFZSA-N 1 0 377.488 3.830 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(C(OCC)OCC)cc1)CC2 ZINC001234874834 1040387393 /nfs/dbraw/zinc/38/73/93/1040387393.db2.gz KHFVPMVVWXFATH-UHFFFAOYSA-N 1 0 386.536 3.901 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC001254636254 1040413205 /nfs/dbraw/zinc/41/32/05/1040413205.db2.gz IZNGOWCAIBCHAD-MOPGFXCFSA-N 1 0 384.524 3.526 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC001254712824 1040471417 /nfs/dbraw/zinc/47/14/17/1040471417.db2.gz SAFRNNOLNREMHS-UHFFFAOYSA-N 1 0 385.508 3.597 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3c[nH]c(-c4ccccc4F)c3)CC2)nc1 ZINC001235041275 1040536398 /nfs/dbraw/zinc/53/63/98/1040536398.db2.gz CBIPXJRJBZZCSJ-UHFFFAOYSA-N 1 0 375.451 3.800 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235092932 1040584289 /nfs/dbraw/zinc/58/42/89/1040584289.db2.gz JBRGRKKJVBTTBP-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](C4Cc5ccccc5C4)C3)C2)c1 ZINC001255024224 1040737083 /nfs/dbraw/zinc/73/70/83/1040737083.db2.gz FUTVYCOHCQBSHV-RUZDIDTESA-N 1 0 387.527 3.644 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Br)c1 ZINC001235349851 1040826472 /nfs/dbraw/zinc/82/64/72/1040826472.db2.gz DNNANJYEBQCHDW-TZIWHRDSSA-N 1 0 396.332 3.900 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001235512722 1040969750 /nfs/dbraw/zinc/96/97/50/1040969750.db2.gz COOKPYIXNQQTLX-QFIPXVFZSA-N 1 0 379.529 3.942 20 30 GHEDRO N#CCc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCC2CCOCC2)C1 ZINC001235516991 1040971992 /nfs/dbraw/zinc/97/19/92/1040971992.db2.gz IFXWWYIVGCCYGO-DNQXCXABSA-N 1 0 398.547 3.567 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccccc3-c3ccncc3)C2)CC1 ZINC001235610684 1041029993 /nfs/dbraw/zinc/02/99/93/1041029993.db2.gz BXWLYDZTBVJVNQ-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO CC(C)(O)C#Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC001255488645 1041086469 /nfs/dbraw/zinc/08/64/69/1041086469.db2.gz ZRJMAHZWUJJLHK-NRFANRHFSA-N 1 0 387.483 3.849 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(Cc1c(F)cc(C#N)cc1F)C2 ZINC001235653987 1041098086 /nfs/dbraw/zinc/09/80/86/1041098086.db2.gz MDTVXKVPPBBCDU-JLTOFOAXSA-N 1 0 377.435 3.716 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)C2 ZINC001235668438 1041121680 /nfs/dbraw/zinc/12/16/80/1041121680.db2.gz WKXZLBAGEHSDET-QAPCUYQASA-N 1 0 387.398 3.617 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)C2 ZINC001235668436 1041122477 /nfs/dbraw/zinc/12/24/77/1041122477.db2.gz WKXZLBAGEHSDET-MAUKXSAKSA-N 1 0 387.398 3.617 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(Br)ccc(C)c3F)C2)C1=O ZINC001235746279 1041231576 /nfs/dbraw/zinc/23/15/76/1041231576.db2.gz CPSSDARBOPTLSQ-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO N#Cc1cccc(CCCN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)c1 ZINC001235795110 1041294435 /nfs/dbraw/zinc/29/44/35/1041294435.db2.gz NKFQRMCHYNHTHN-HXUWFJFHSA-N 1 0 384.321 3.900 20 30 GHEDRO CCOc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1F ZINC001235802144 1041310595 /nfs/dbraw/zinc/31/05/95/1041310595.db2.gz VBXNNEMAIFAYKF-HSZRJFAPSA-N 1 0 393.462 3.725 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(C)c(Br)cn3)CC2)C1=O ZINC001277972757 1041356438 /nfs/dbraw/zinc/35/64/38/1041356438.db2.gz ADMJNINRXIXZNX-IBGZPJMESA-N 1 0 392.341 3.543 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnc(OC)c1Cl)[C@@H]2CC ZINC001235836877 1041363352 /nfs/dbraw/zinc/36/33/52/1041363352.db2.gz OBPJLNRMKYYTQF-UZLBHIALSA-N 1 0 377.916 3.665 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)C1 ZINC001255902598 1041384815 /nfs/dbraw/zinc/38/48/15/1041384815.db2.gz IMOYAJPYMNQAKR-OAQYLSRUSA-N 1 0 398.551 3.512 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235963313 1041468970 /nfs/dbraw/zinc/46/89/70/1041468970.db2.gz RUODXVFNQGUMJO-UHFFFAOYSA-N 1 0 382.939 3.661 20 30 GHEDRO N#Cc1ccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1Br ZINC001235977598 1041481312 /nfs/dbraw/zinc/48/13/12/1041481312.db2.gz NJIBUWYPLACZKD-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO COc1cc(N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC001256082457 1041514250 /nfs/dbraw/zinc/51/42/50/1041514250.db2.gz GDPSKPLGYVRMNU-OAHLLOKOSA-N 1 0 380.448 3.795 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001236154613 1041577746 /nfs/dbraw/zinc/57/77/46/1041577746.db2.gz XZCZDNGDFOBQOJ-LJQANCHMSA-N 1 0 384.600 3.906 20 30 GHEDRO CCOC1CCC([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001256441645 1041734135 /nfs/dbraw/zinc/73/41/35/1041734135.db2.gz MVHNDYAZAYEFCF-HQNXYIODSA-N 1 0 397.563 3.825 20 30 GHEDRO N#Cc1ccc(F)c(CN(Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c1F ZINC001236505039 1041744482 /nfs/dbraw/zinc/74/44/82/1041744482.db2.gz AYUZLIPMSLPAIN-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO COc1ccc(CN(Cc2c[nH]c3c2cccc3C#N)C2CC[NH2+]CC2)cc1F ZINC001236515130 1041748828 /nfs/dbraw/zinc/74/88/28/1041748828.db2.gz JYUCUSNVLNIJBF-UHFFFAOYSA-N 1 0 392.478 3.941 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(F)cc4c3OCCC4)C2)C1 ZINC001236618756 1041785320 /nfs/dbraw/zinc/78/53/20/1041785320.db2.gz YGNADWQKFNPPRN-QFIPXVFZSA-N 1 0 388.483 3.761 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)c(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236862398 1041932385 /nfs/dbraw/zinc/93/23/85/1041932385.db2.gz ROVPHMMVQYKZBV-OAHLLOKOSA-N 1 0 394.313 3.762 20 30 GHEDRO N#Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1Br ZINC001236864961 1041933783 /nfs/dbraw/zinc/93/37/83/1041933783.db2.gz YJFWPBOCMSRBKK-BGYRXZFFSA-N 1 0 396.332 3.885 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237312273 1042139378 /nfs/dbraw/zinc/13/93/78/1042139378.db2.gz XFEFUDADDBWWLS-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3csc(-c4ccc(OC)cc4)n3)C2)C1=O ZINC001237334674 1042153501 /nfs/dbraw/zinc/15/35/01/1042153501.db2.gz UYIGIWPLHOGLOO-QFIPXVFZSA-N 1 0 397.544 3.819 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccnc(C#N)c3)C[C@@H]2c2ccccc21 ZINC001237461975 1042217963 /nfs/dbraw/zinc/21/79/63/1042217963.db2.gz GLFCKRPXSLMGRA-XLIONFOSSA-N 1 0 390.487 3.924 20 30 GHEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464115 1042218636 /nfs/dbraw/zinc/21/86/36/1042218636.db2.gz CGGSOGLBYJOBJF-INIZCTEOSA-N 1 0 382.508 3.881 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c2cc(C#N)ccc21 ZINC001237467178 1042220367 /nfs/dbraw/zinc/22/03/67/1042220367.db2.gz ASWXHRLNPKTIHK-ZJSXRUAMSA-N 1 0 393.531 3.705 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237471074 1042222835 /nfs/dbraw/zinc/22/28/35/1042222835.db2.gz ANYTVMMPOAZWBG-DBVUQKKJSA-N 1 0 394.519 3.785 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(CC(=O)OCC)cc1)[C@@H]2CC ZINC001237483104 1042227874 /nfs/dbraw/zinc/22/78/74/1042227874.db2.gz RAEJDMPRHUUGLM-QPPBQGQZSA-N 1 0 398.547 3.714 20 30 GHEDRO N#Cc1cc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(F)cc1F ZINC001237527159 1042251659 /nfs/dbraw/zinc/25/16/59/1042251659.db2.gz JLMYOGZEKXBNME-QFIPXVFZSA-N 1 0 399.416 3.600 20 30 GHEDRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn2cc(C#N)ccc2n1 ZINC001237615528 1042282699 /nfs/dbraw/zinc/28/26/99/1042282699.db2.gz WYYMNTGEKDFQCZ-YOFSQIOKSA-N 1 0 389.507 3.597 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]21 ZINC001237756127 1042355813 /nfs/dbraw/zinc/35/58/13/1042355813.db2.gz VVXYEWNBNIRSMC-RYQLBKOJSA-N 1 0 375.900 3.947 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]CCNc3ccc(C#N)cn3)CC[C@H]21 ZINC001462615927 1070414622 /nfs/dbraw/zinc/41/46/22/1070414622.db2.gz UQXCOIZOALKUMJ-CEXWTWQISA-N 1 0 399.539 3.523 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccccc3C3CCOCC3)C2)CC1 ZINC001237898970 1042415151 /nfs/dbraw/zinc/41/51/51/1042415151.db2.gz MRDJICZCOZXNIF-UHFFFAOYSA-N 1 0 384.520 3.801 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(C4CC4)cnc3OC)C2)C1 ZINC001238034106 1042468261 /nfs/dbraw/zinc/46/82/61/1042468261.db2.gz VMUJJLCBFSPYPC-JOCHJYFZSA-N 1 0 385.508 3.578 20 30 GHEDRO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccc(C#N)cc2Cl)C3)n1 ZINC001238082916 1042485908 /nfs/dbraw/zinc/48/59/08/1042485908.db2.gz NDOJMDJSKVHEGS-KNQAVFIVSA-N 1 0 397.906 3.580 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]12 ZINC001238195742 1042516120 /nfs/dbraw/zinc/51/61/20/1042516120.db2.gz KXEOJPHRZFPHNX-QGPMSJSTSA-N 1 0 375.900 3.947 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)ccc1C#N ZINC001238407324 1042586771 /nfs/dbraw/zinc/58/67/71/1042586771.db2.gz VZLIIQJBTIOLKT-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)ccc1C#N ZINC001238408118 1042586887 /nfs/dbraw/zinc/58/68/87/1042586887.db2.gz RIPSJFOHDIGZJH-NRFANRHFSA-N 1 0 384.520 3.612 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)ccc1C#N ZINC001238407089 1042586915 /nfs/dbraw/zinc/58/69/15/1042586915.db2.gz SZKRTYTVPHYTQX-GGAORHGYSA-N 1 0 377.488 3.781 20 30 GHEDRO COc1cc(CN2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)ccc1C#N ZINC001238414623 1042588468 /nfs/dbraw/zinc/58/84/68/1042588468.db2.gz WYFCZUWOSPLLPY-UHFFFAOYSA-N 1 0 376.456 3.875 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)c(F)c3OC(C)C)C2)C1=O ZINC001238740840 1042709421 /nfs/dbraw/zinc/70/94/21/1042709421.db2.gz JWTBDXANZMTNHM-NRFANRHFSA-N 1 0 378.463 3.753 20 30 GHEDRO CCc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1C#N ZINC001238774242 1042722855 /nfs/dbraw/zinc/72/28/55/1042722855.db2.gz HWHAZUUYRVYHKR-XMMPIXPASA-N 1 0 384.483 3.621 20 30 GHEDRO CCc1cc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)ccc1C#N ZINC001238776011 1042723505 /nfs/dbraw/zinc/72/35/05/1042723505.db2.gz RKZBWKJACIVVAA-TZRRMPRUSA-N 1 0 391.515 3.712 20 30 GHEDRO CCc1cc(C[NH+]2CCC(NC(=O)c3ccc(OC)cc3)CC2)ccc1C#N ZINC001238776002 1042723545 /nfs/dbraw/zinc/72/35/45/1042723545.db2.gz RDDXBHOJYOAJMM-UHFFFAOYSA-N 1 0 377.488 3.524 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001238857094 1042741932 /nfs/dbraw/zinc/74/19/32/1042741932.db2.gz FVYQZNDOWSMLAX-UHFFFAOYSA-N 1 0 395.613 3.763 20 30 GHEDRO CC[NH+](CC)CCn1cc(-c2ccc(COc3ccc(CC#N)cc3)cn2)cn1 ZINC001239200860 1042785553 /nfs/dbraw/zinc/78/55/53/1042785553.db2.gz RGCWOHVVCBTTEV-UHFFFAOYSA-N 1 0 389.503 3.932 20 30 GHEDRO N#Cc1cccc(NC(=O)NCC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)c1 ZINC001239247809 1042796474 /nfs/dbraw/zinc/79/64/74/1042796474.db2.gz MYMLYBNEZHSZRM-UHFFFAOYSA-N 1 0 382.895 3.946 20 30 GHEDRO N#Cc1ccc(NC(=S)NCc2ccc3c(c2)CC[NH2+]C3)cc1C(F)(F)F ZINC001239363110 1042813208 /nfs/dbraw/zinc/81/32/08/1042813208.db2.gz XFNMWQRAAZWOFK-UHFFFAOYSA-N 1 0 390.434 3.709 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001239434493 1042828669 /nfs/dbraw/zinc/82/86/69/1042828669.db2.gz RHGMUPJUWVLYHS-DENIHFKCSA-N 1 0 376.529 3.508 20 30 GHEDRO C[C@@H](Cn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291108826 1043082904 /nfs/dbraw/zinc/08/29/04/1043082904.db2.gz BDLSPWUJFUPJOT-MSOLQXFVSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291135914 1043104011 /nfs/dbraw/zinc/10/40/11/1043104011.db2.gz MNTHNJRWFQOCKP-HZPDHXFCSA-N 1 0 386.931 3.821 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCCC1 ZINC001291707516 1043407889 /nfs/dbraw/zinc/40/78/89/1043407889.db2.gz YEQXFHORNBXUEM-GOSISDBHSA-N 1 0 380.540 3.785 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN([C@H](C)Cc2ccccc2Br)C1 ZINC001256845502 1043694988 /nfs/dbraw/zinc/69/49/88/1043694988.db2.gz ABSCKBLECOKJEN-ZBFHGGJFSA-N 1 0 381.314 3.757 20 30 GHEDRO CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[N@@H+](CC)C(C)C)cc1 ZINC001292499661 1043764553 /nfs/dbraw/zinc/76/45/53/1043764553.db2.gz MTWKGRZWYBPWMG-JOCHJYFZSA-N 1 0 398.530 3.680 20 30 GHEDRO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)CC1 ZINC001256948406 1043768327 /nfs/dbraw/zinc/76/83/27/1043768327.db2.gz PTWSKIIGHSTIRQ-NHCUHLMSSA-N 1 0 385.552 3.931 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3C3CCC(C#N)CC3)O2)cs1 ZINC001256967630 1043776941 /nfs/dbraw/zinc/77/69/41/1043776941.db2.gz GCSQYIHSDKORBG-ATBMWHHMSA-N 1 0 375.538 3.672 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001292541760 1043780365 /nfs/dbraw/zinc/78/03/65/1043780365.db2.gz WWSNKIXHWFRHFR-UHFFFAOYSA-N 1 0 397.469 3.817 20 30 GHEDRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC001257010149 1043796594 /nfs/dbraw/zinc/79/65/94/1043796594.db2.gz TXRRLUJTYWLJKB-UHFFFAOYSA-N 1 0 383.517 3.563 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+]C3CCN(C(=O)c4cccnc4)CC3)CC2)cc1 ZINC001257013482 1043799476 /nfs/dbraw/zinc/79/94/76/1043799476.db2.gz IMVWTUZVQXVOCN-UHFFFAOYSA-N 1 0 388.515 3.874 20 30 GHEDRO CCOC[C@@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)Cc2ncn(C)c21 ZINC001257018606 1043803802 /nfs/dbraw/zinc/80/38/02/1043803802.db2.gz YLUCBYNQPXURKJ-KBWCOIMZSA-N 1 0 378.520 3.954 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCC(NC(=O)N4CCCC4)CC3)CC2)cc1 ZINC001257022102 1043805537 /nfs/dbraw/zinc/80/55/37/1043805537.db2.gz FSQQDONURDPXAC-UHFFFAOYSA-N 1 0 380.536 3.854 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001292764845 1043866606 /nfs/dbraw/zinc/86/66/06/1043866606.db2.gz CUYBGGKTRLZQPD-HSZRJFAPSA-N 1 0 380.488 3.607 20 30 GHEDRO CC[C@H]1C[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001257130654 1043877817 /nfs/dbraw/zinc/87/78/17/1043877817.db2.gz VYQHRLLZLHPUPE-PMACEKPBSA-N 1 0 398.551 3.858 20 30 GHEDRO CCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001292804282 1043884846 /nfs/dbraw/zinc/88/48/46/1043884846.db2.gz CLNGKFPWVWWJHV-TZIWHRDSSA-N 1 0 394.567 3.881 20 30 GHEDRO COc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ccc1C#N ZINC001293084306 1044016363 /nfs/dbraw/zinc/01/63/63/1044016363.db2.gz SMAKOZFBHWSDEA-UHFFFAOYSA-N 1 0 397.906 3.862 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001293423339 1044169203 /nfs/dbraw/zinc/16/92/03/1044169203.db2.gz DIXOVGDFHSWZRZ-LPHOPBHVSA-N 1 0 378.524 3.678 20 30 GHEDRO CC(C)OC1CCC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001257884802 1044243931 /nfs/dbraw/zinc/24/39/31/1044243931.db2.gz BSNIQOUVTDYHSB-UHFFFAOYSA-N 1 0 384.524 3.880 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@]4(C3)COCCN(c3ccc(C)nn3)C4)C[C@H](C1)C2 ZINC001257890835 1044245695 /nfs/dbraw/zinc/24/56/95/1044245695.db2.gz BCVYXDOHNUJGFV-INXDJGNKSA-N 1 0 396.579 3.839 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+]([C@@H](C)CCC=C(C)C)CC1 ZINC001258100535 1044395721 /nfs/dbraw/zinc/39/57/21/1044395721.db2.gz YNEJOQNCZLTHJI-KRWDZBQOSA-N 1 0 384.524 3.695 20 30 GHEDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc(-c4ccc(C#N)cc4)o3)o2)C[C@@H](C)O1 ZINC001258133106 1044417543 /nfs/dbraw/zinc/41/75/43/1044417543.db2.gz VWSITGFUADUMBA-HUUCEWRRSA-N 1 0 378.432 3.520 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142217 1044428768 /nfs/dbraw/zinc/42/87/68/1044428768.db2.gz DMGDYHMZXSDUPY-JWQCQUIFSA-N 1 0 398.591 3.767 20 30 GHEDRO C[C@@H]1C[NH+](CCc2nnc(-c3c(Cl)cc(C#N)cc3Cl)o2)C[C@@H](C)O1 ZINC001258145004 1044431168 /nfs/dbraw/zinc/43/11/68/1044431168.db2.gz FZZUBMALLDZUAY-GHMZBOCLSA-N 1 0 381.263 3.567 20 30 GHEDRO C[C@@H]1C[NH+](CCc2nnc(-c3cccc(-c4cccc(C#N)c4)c3)o2)C[C@@H](C)O1 ZINC001258152843 1044441314 /nfs/dbraw/zinc/44/13/14/1044441314.db2.gz LXZIJXBBBPPGBD-IAGOWNOFSA-N 1 0 388.471 3.927 20 30 GHEDRO C[C@H]1C[C@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)C[C@@H](C)C1 ZINC001258159673 1044446814 /nfs/dbraw/zinc/44/68/14/1044446814.db2.gz MAENLLAQDHRTBI-KPYOPSEVSA-N 1 0 382.552 3.697 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2)C1 ZINC001294221201 1044532866 /nfs/dbraw/zinc/53/28/66/1044532866.db2.gz XESGPOQNKSBBFI-CQSZACIVSA-N 1 0 384.867 3.580 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258525381 1044604744 /nfs/dbraw/zinc/60/47/44/1044604744.db2.gz RJIAARUUYBPMCK-FPOVZHCZSA-N 1 0 379.541 3.524 20 30 GHEDRO C=CCC[C@H](C)[N@H+]1CC2(C[C@@H]1C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC2 ZINC001258725423 1044734172 /nfs/dbraw/zinc/73/41/72/1044734172.db2.gz KZCUOPBFFCRRJP-ZWKOTPCHSA-N 1 0 394.556 3.996 20 30 GHEDRO CC[NH+](CC)Cc1ccc(Cn2c(C)nnc2N2CCC(CC#N)CC2)cc1 ZINC001295494679 1045034279 /nfs/dbraw/zinc/03/42/79/1045034279.db2.gz SDBREBWHRYVXKL-UHFFFAOYSA-N 1 0 380.540 3.607 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)CC#N ZINC001296083827 1045249681 /nfs/dbraw/zinc/24/96/81/1045249681.db2.gz ICYFIWOPIBDDAT-OALUTQOASA-N 1 0 380.540 3.866 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001296556347 1045337360 /nfs/dbraw/zinc/33/73/60/1045337360.db2.gz GDONDDBIOLEMBG-SFHVURJKSA-N 1 0 379.342 3.784 20 30 GHEDRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CCC1 ZINC001298041822 1045684607 /nfs/dbraw/zinc/68/46/07/1045684607.db2.gz DSWRSOIWADPYTE-UHFFFAOYSA-N 1 0 398.942 3.823 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001261854171 1046119568 /nfs/dbraw/zinc/11/95/68/1046119568.db2.gz DHJCDKJOCBHYJS-UONOGXRCSA-N 1 0 382.892 3.587 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001261965342 1046142791 /nfs/dbraw/zinc/14/27/91/1046142791.db2.gz KMAKJGUFRPTBSR-FPOVZHCZSA-N 1 0 396.560 3.887 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300799086 1046166608 /nfs/dbraw/zinc/16/66/08/1046166608.db2.gz VWJSCKNVCPBHMY-KSFYIVLOSA-N 1 0 381.499 3.559 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC[NH+]1CCCCCC1 ZINC001300801359 1046169142 /nfs/dbraw/zinc/16/91/42/1046169142.db2.gz OYVAJKNTFDIQGH-HSZRJFAPSA-N 1 0 392.551 3.517 20 30 GHEDRO C=C(C)CN(CC)c1nnc(CC2CC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001300922030 1046244480 /nfs/dbraw/zinc/24/44/80/1046244480.db2.gz YLNZOTUWRCURSB-UHFFFAOYSA-N 1 0 394.567 3.985 20 30 GHEDRO C=C(C)COCCn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1C(C)(C)C ZINC001301002102 1046282827 /nfs/dbraw/zinc/28/28/27/1046282827.db2.gz UJECGLSKBYMXDX-UHFFFAOYSA-N 1 0 389.588 3.623 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001301019383 1046293663 /nfs/dbraw/zinc/29/36/63/1046293663.db2.gz IKWCOHNEHDIDGU-HZPDHXFCSA-N 1 0 389.931 3.625 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001301034077 1046298616 /nfs/dbraw/zinc/29/86/16/1046298616.db2.gz PGOKLKPJYVFBKT-KRWDZBQOSA-N 1 0 388.947 3.569 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301079214 1046324830 /nfs/dbraw/zinc/32/48/30/1046324830.db2.gz BXYSNJWBSIICNQ-QUCCMNQESA-N 1 0 394.567 3.925 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001301095681 1046339004 /nfs/dbraw/zinc/33/90/04/1046339004.db2.gz LMQNZDVWHYYRFS-KRWDZBQOSA-N 1 0 399.514 3.635 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001301119558 1046356610 /nfs/dbraw/zinc/35/66/10/1046356610.db2.gz NMYMTNXPOROMQA-SFHVURJKSA-N 1 0 383.515 3.828 20 30 GHEDRO C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001301220460 1046410877 /nfs/dbraw/zinc/41/08/77/1046410877.db2.gz AZHQIWMEKZCTKP-IBGZPJMESA-N 1 0 375.561 3.797 20 30 GHEDRO C=CCn1c(Cc2ccco2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001262932275 1046430174 /nfs/dbraw/zinc/43/01/74/1046430174.db2.gz JRSZCANIVXFQIQ-UHFFFAOYSA-N 1 0 397.445 3.501 20 30 GHEDRO C=CCn1c(CCc2ccsc2)nnc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001262940594 1046438277 /nfs/dbraw/zinc/43/82/77/1046438277.db2.gz LCMWAZLCSQLUNF-UHFFFAOYSA-N 1 0 397.552 3.518 20 30 GHEDRO C=CCN(C)c1nnc(C2CCCC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001301295398 1046461397 /nfs/dbraw/zinc/46/13/97/1046461397.db2.gz JLZUJABGFKLDCC-UHFFFAOYSA-N 1 0 379.552 3.657 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2F)n1CC1CC[NH+](CCC)CC1 ZINC001301299204 1046463301 /nfs/dbraw/zinc/46/33/01/1046463301.db2.gz DLENIBOVZUUUOQ-UHFFFAOYSA-N 1 0 385.531 3.752 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001301299570 1046463565 /nfs/dbraw/zinc/46/35/65/1046463565.db2.gz NYEQJKXAVWUVNF-HXUWFJFHSA-N 1 0 397.567 3.620 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC001301326496 1046490212 /nfs/dbraw/zinc/49/02/12/1046490212.db2.gz AXFSNYCAIRWODP-FPOVZHCZSA-N 1 0 395.551 3.548 20 30 GHEDRO CCn1c([C@H](C)Cc2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263019074 1046507192 /nfs/dbraw/zinc/50/71/92/1046507192.db2.gz ZXIXDKHDRFICQD-NQIIRXRSSA-N 1 0 394.567 3.684 20 30 GHEDRO CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CCC[C@H](CC#N)C1 ZINC001263022186 1046509094 /nfs/dbraw/zinc/50/90/94/1046509094.db2.gz SBQFOFQHUXPEEM-HXUWFJFHSA-N 1 0 392.551 3.808 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1CCC1CC[NH+](CC)CC1 ZINC001301383979 1046519063 /nfs/dbraw/zinc/51/90/63/1046519063.db2.gz LTKHDEADKOGJPB-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001263033345 1046520700 /nfs/dbraw/zinc/52/07/00/1046520700.db2.gz MIENRXLHJZNCEH-IRXDYDNUSA-N 1 0 382.512 3.520 20 30 GHEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C12CCC2 ZINC001301546937 1046591026 /nfs/dbraw/zinc/59/10/26/1046591026.db2.gz KSGSXKKUOSZUHY-VXKWHMMOSA-N 1 0 389.499 3.740 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)cc2)cc1 ZINC001263294190 1046692579 /nfs/dbraw/zinc/69/25/79/1046692579.db2.gz ODRCRHCIQLZTAJ-OAQYLSRUSA-N 1 0 393.487 3.888 20 30 GHEDRO C=C(C)Cn1c(COC2CCC2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001263348788 1046732181 /nfs/dbraw/zinc/73/21/81/1046732181.db2.gz CGRYFNCICKRFGY-UHFFFAOYSA-N 1 0 387.572 3.768 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001301957021 1046760964 /nfs/dbraw/zinc/76/09/64/1046760964.db2.gz RGWZECCVHCQDIH-KDOFPFPSSA-N 1 0 386.931 3.535 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@H]1C ZINC001301958843 1046762380 /nfs/dbraw/zinc/76/23/80/1046762380.db2.gz IRDKGIVIBQKOEB-HZPDHXFCSA-N 1 0 386.931 3.679 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001301960959 1046762874 /nfs/dbraw/zinc/76/28/74/1046762874.db2.gz VDVSNXTYASOSFH-KBXCAEBGSA-N 1 0 386.931 3.535 20 30 GHEDRO C=CC(C)(C)Cc1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@@H]1CCCO1 ZINC001263430134 1046817417 /nfs/dbraw/zinc/81/74/17/1046817417.db2.gz JWDVVTYVMLLWCJ-IBGZPJMESA-N 1 0 389.588 3.522 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCCC#N)n2Cc2cccs2)C[C@H]1C ZINC001263490478 1046893835 /nfs/dbraw/zinc/89/38/35/1046893835.db2.gz SZIPJDPBNJIRTM-IAGOWNOFSA-N 1 0 386.569 3.543 20 30 GHEDRO CC(C)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302616532 1047006328 /nfs/dbraw/zinc/00/63/28/1047006328.db2.gz FADYTVUXRPKBMN-UHFFFAOYSA-N 1 0 380.540 3.641 20 30 GHEDRO CC(C)(CC#N)c1nnc(N2CCC(C)([NH+]3CCCCC3)CC2)n1CC1CC1 ZINC001263738408 1047081770 /nfs/dbraw/zinc/08/17/70/1047081770.db2.gz MPVGCIMMGIIBPM-UHFFFAOYSA-N 1 0 384.572 3.724 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC001302811109 1047118372 /nfs/dbraw/zinc/11/83/72/1047118372.db2.gz DTVOLYURSQGWMD-HBMCJLEFSA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001302839493 1047133407 /nfs/dbraw/zinc/13/34/07/1047133407.db2.gz CZFISPQALZTOQP-QZTJIDSGSA-N 1 0 384.528 3.503 20 30 GHEDRO C[C@H](Cn1c(N(C)[C@@H](C)CC#N)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001303737799 1047500135 /nfs/dbraw/zinc/50/01/35/1047500135.db2.gz QGATXZVPGKRPDC-ZWKOTPCHSA-N 1 0 394.567 3.761 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)CC1 ZINC001303791773 1047513961 /nfs/dbraw/zinc/51/39/61/1047513961.db2.gz AYLLRNHNIRIJQY-NRFANRHFSA-N 1 0 382.504 3.873 20 30 GHEDRO COc1cccc(C[N@H+](C)C[C@@H](O)CC2(C#N)CC2)c1OCc1ccccc1F ZINC000599404533 1047532921 /nfs/dbraw/zinc/53/29/21/1047532921.db2.gz JILXLEIRERWMTQ-IBGZPJMESA-N 1 0 398.478 3.900 20 30 GHEDRO C#CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CCCc2ccccc21 ZINC001304065330 1047576525 /nfs/dbraw/zinc/57/65/25/1047576525.db2.gz BEROGJYVBZEMIY-ISKFKSNPSA-N 1 0 387.527 3.833 20 30 GHEDRO N#Cc1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000702629015 1047707021 /nfs/dbraw/zinc/70/70/21/1047707021.db2.gz QCXWXIGIIFLQQI-LJQANCHMSA-N 1 0 375.394 3.626 20 30 GHEDRO C=CCCCCCCC[N@H+]1C[C@H]2CN(C(=O)Cc3ccsc3)C[C@@H](C1)O2 ZINC001279272146 1047752730 /nfs/dbraw/zinc/75/27/30/1047752730.db2.gz WOJJNFCDZAJBAI-BGYRXZFFSA-N 1 0 376.566 3.729 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CCN(Cc4cc(Cl)ccc4Cl)[C@@H]3C2)cc1C#N ZINC001279351498 1047778090 /nfs/dbraw/zinc/77/80/90/1047778090.db2.gz VNIVKYOQQSVTNM-MGPUTAFESA-N 1 0 389.330 3.910 20 30 GHEDRO N#Cc1ccc(Br)c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c1 ZINC001279455376 1047814935 /nfs/dbraw/zinc/81/49/35/1047814935.db2.gz UUTHLNKPFZAYPH-IYBDPMFKSA-N 1 0 388.309 3.552 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001305106845 1047905677 /nfs/dbraw/zinc/90/56/77/1047905677.db2.gz WXPUXMHPDRQWTK-LJQANCHMSA-N 1 0 392.551 3.785 20 30 GHEDRO C#CCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ncc(C)cc1Br ZINC001279750119 1047941913 /nfs/dbraw/zinc/94/19/13/1047941913.db2.gz QZSRFPQYYIQLIR-YQFWSFKMSA-N 1 0 390.325 3.509 20 30 GHEDRO Cc1ccc(C#N)c(NC(=O)[C@@H]2CCSC23C[NH+](Cc2cccs2)C3)c1 ZINC001279772092 1047945761 /nfs/dbraw/zinc/94/57/61/1047945761.db2.gz YVFHOGKPWMSHDB-KRWDZBQOSA-N 1 0 383.542 3.874 20 30 GHEDRO C=CCC1(S(=O)(=O)N2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001279835661 1047963413 /nfs/dbraw/zinc/96/34/13/1047963413.db2.gz ZKCRCSYPSWIDNH-UHFFFAOYSA-N 1 0 394.503 3.555 20 30 GHEDRO C=CCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)NCc1c(F)cccc1F ZINC001280129404 1048095366 /nfs/dbraw/zinc/09/53/66/1048095366.db2.gz WRDGIHNPFATHBM-INIZCTEOSA-N 1 0 380.504 3.745 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CCC3(C2)CC[NH+](CC2CCSCC2)CC3)CCC1 ZINC001280168232 1048112734 /nfs/dbraw/zinc/11/27/34/1048112734.db2.gz SZMPAYPNEBOCDH-GOSISDBHSA-N 1 0 375.582 3.574 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1)[NH+](C)C ZINC001305709089 1048226013 /nfs/dbraw/zinc/22/60/13/1048226013.db2.gz NCMRNXHHKZBRCO-HXUWFJFHSA-N 1 0 380.540 3.782 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001286272625 1048245799 /nfs/dbraw/zinc/24/57/99/1048245799.db2.gz DATBNIMOWOCSDX-UYAOXDASSA-N 1 0 379.552 3.871 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001286302927 1048264286 /nfs/dbraw/zinc/26/42/86/1048264286.db2.gz HISXYORJTLQGQB-PMACEKPBSA-N 1 0 385.600 3.981 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001286447026 1048327124 /nfs/dbraw/zinc/32/71/24/1048327124.db2.gz OIBAHOWRDBPBEA-UHFFFAOYSA-N 1 0 397.542 3.732 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286579364 1048372714 /nfs/dbraw/zinc/37/27/14/1048372714.db2.gz NTDQDKWQLCLWJD-FQEVSTJZSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COCC)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286583995 1048377407 /nfs/dbraw/zinc/37/74/07/1048377407.db2.gz VYSAJJRJIXDTOE-KDURUIRLSA-N 1 0 391.604 3.974 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COCC)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286584000 1048377696 /nfs/dbraw/zinc/37/76/96/1048377696.db2.gz VYSAJJRJIXDTOE-OALUTQOASA-N 1 0 391.604 3.974 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001286644601 1048410739 /nfs/dbraw/zinc/41/07/39/1048410739.db2.gz ZIEATCOJDIXVJT-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001286648638 1048416210 /nfs/dbraw/zinc/41/62/10/1048416210.db2.gz TVEKXVOBSUCGKI-LJQANCHMSA-N 1 0 383.515 3.649 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001286677594 1048439342 /nfs/dbraw/zinc/43/93/42/1048439342.db2.gz FSPBIXDEGQHRDD-RBUKOAKNSA-N 1 0 389.588 3.900 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C)o2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286720308 1048476127 /nfs/dbraw/zinc/47/61/27/1048476127.db2.gz VQNRGDZAXMGAEO-UHFFFAOYSA-N 1 0 391.519 3.568 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CC[C@]2(CCSC2)C1)C(C)C ZINC001286751033 1048504322 /nfs/dbraw/zinc/50/43/22/1048504322.db2.gz LHNBKANQDHWJOR-FPOVZHCZSA-N 1 0 389.613 3.619 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001286755052 1048506992 /nfs/dbraw/zinc/50/69/92/1048506992.db2.gz LBGAXTMTZRBEJU-HXUWFJFHSA-N 1 0 376.508 3.755 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001286757007 1048510274 /nfs/dbraw/zinc/51/02/74/1048510274.db2.gz CDQXGVLMEVICFS-WOJBJXKFSA-N 1 0 387.572 3.615 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001286759062 1048512745 /nfs/dbraw/zinc/51/27/45/1048512745.db2.gz ZCKDXYZQOJMWCH-IBGZPJMESA-N 1 0 383.515 3.528 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1CC[NH+]1CCCC1 ZINC001286764101 1048515776 /nfs/dbraw/zinc/51/57/76/1048515776.db2.gz GASORLXJUCTVMM-UHFFFAOYSA-N 1 0 383.540 3.860 20 30 GHEDRO C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001286775968 1048522598 /nfs/dbraw/zinc/52/25/98/1048522598.db2.gz ZMLIWCJJBXJMCT-NRFANRHFSA-N 1 0 394.567 3.542 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001286800827 1048529329 /nfs/dbraw/zinc/52/93/29/1048529329.db2.gz RJYYLHKWYIGGKH-NRFANRHFSA-N 1 0 397.567 3.683 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001306347423 1048586532 /nfs/dbraw/zinc/58/65/32/1048586532.db2.gz XGBGBJPOPUSYFM-GHTZIAJQSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)(Cn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001287088616 1048593791 /nfs/dbraw/zinc/59/37/91/1048593791.db2.gz ROBWXACIJYXBTP-QFIPXVFZSA-N 1 0 396.514 3.652 20 30 GHEDRO CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001287104558 1048598557 /nfs/dbraw/zinc/59/85/57/1048598557.db2.gz MMWSBISZRUMCEI-WIYYLYMNSA-N 1 0 390.535 3.846 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC1)[NH+](C)C ZINC001287321175 1048714951 /nfs/dbraw/zinc/71/49/51/1048714951.db2.gz BSGRIHOZSYQCLI-HXUWFJFHSA-N 1 0 380.540 3.782 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC001287321170 1048715547 /nfs/dbraw/zinc/71/55/47/1048715547.db2.gz BRPIZLIFCHKTFK-BBTUJRGHSA-N 1 0 394.567 3.885 20 30 GHEDRO CC[NH+]1CCN(c2cccc(Nc3nc(C(F)(F)F)ccc3C#N)c2)CC1 ZINC001307103540 1049076747 /nfs/dbraw/zinc/07/67/47/1049076747.db2.gz KNCRCXOTUBCQDY-UHFFFAOYSA-N 1 0 375.398 3.858 20 30 GHEDRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)CC#N)C(C)C ZINC001288531318 1049131095 /nfs/dbraw/zinc/13/10/95/1049131095.db2.gz WSYPZKQPJWPUKD-KRWDZBQOSA-N 1 0 388.585 3.788 20 30 GHEDRO C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001288632406 1049172533 /nfs/dbraw/zinc/17/25/33/1049172533.db2.gz XLMJWGXAADFXAK-AOMKIAJQSA-N 1 0 391.523 3.507 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCOC(F)(F)F ZINC001307282022 1049179911 /nfs/dbraw/zinc/17/99/11/1049179911.db2.gz WIPLNEUXFOTPEY-UHFFFAOYSA-N 1 0 378.464 3.511 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001288691524 1049200199 /nfs/dbraw/zinc/20/01/99/1049200199.db2.gz YOYCKYOEWKRLRD-GUDVDZBRSA-N 1 0 392.551 3.641 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001307456947 1049292779 /nfs/dbraw/zinc/29/27/79/1049292779.db2.gz QWQGMEYSXQHGSS-LJQANCHMSA-N 1 0 398.551 3.717 20 30 GHEDRO CC[C@H](c1ccccc1)[NH+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC001307500405 1049341746 /nfs/dbraw/zinc/34/17/46/1049341746.db2.gz RMPJERZLYZJVQY-YADHBBJMSA-N 1 0 377.488 3.541 20 30 GHEDRO C#CCN(C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](C)CC1 ZINC001289195433 1049362174 /nfs/dbraw/zinc/36/21/74/1049362174.db2.gz LLHNTZSKTDLVQG-DAXSKMNVSA-N 1 0 384.829 3.928 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)cc1 ZINC001307673113 1049493659 /nfs/dbraw/zinc/49/36/59/1049493659.db2.gz SVAAERMMKMQZJM-OAQYLSRUSA-N 1 0 378.472 3.669 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC001289531557 1049526053 /nfs/dbraw/zinc/52/60/53/1049526053.db2.gz NCWHVPBODDQIDD-GSHUGGBRSA-N 1 0 398.555 3.953 20 30 GHEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 ZINC001307878038 1049660181 /nfs/dbraw/zinc/66/01/81/1049660181.db2.gz OPJUMUUZDHUPPT-WMZOPIPTSA-N 1 0 389.337 3.907 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@H](C2CCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307948226 1049717176 /nfs/dbraw/zinc/71/71/76/1049717176.db2.gz ZQEXQHISWARAHE-SFHVURJKSA-N 1 0 378.438 3.685 20 30 GHEDRO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CCc1cccc(C#N)c1 ZINC001308016870 1049767191 /nfs/dbraw/zinc/76/71/91/1049767191.db2.gz QTTKZNRSWMWJLG-HNNXBMFYSA-N 1 0 387.886 3.872 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C1 ZINC001308070030 1049815874 /nfs/dbraw/zinc/81/58/74/1049815874.db2.gz YITXPLPYINIUED-NZQKXSOJSA-N 1 0 396.556 3.750 20 30 GHEDRO C=CCC1(O)CC[NH+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC001308087984 1049834100 /nfs/dbraw/zinc/83/41/00/1049834100.db2.gz BZSAAHIHXFLYMJ-HSZRJFAPSA-N 1 0 396.506 3.777 20 30 GHEDRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001308299430 1049941944 /nfs/dbraw/zinc/94/19/44/1049941944.db2.gz HDWZNCTWZSSANS-DYVFJYSZSA-N 1 0 377.460 3.547 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001308521038 1049997951 /nfs/dbraw/zinc/99/79/51/1049997951.db2.gz LJCLSTSGPZYJOZ-SFHVURJKSA-N 1 0 390.369 3.627 20 30 GHEDRO C#Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC001309177111 1050434222 /nfs/dbraw/zinc/43/42/22/1050434222.db2.gz BHOBLVJNTLUFEN-UHFFFAOYSA-N 1 0 382.529 3.522 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(OCC#N)cc2)CC1 ZINC001328548259 1050541197 /nfs/dbraw/zinc/54/11/97/1050541197.db2.gz DRPUSAJGQDMMCO-KRWDZBQOSA-N 1 0 378.476 3.936 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC001330571546 1051030605 /nfs/dbraw/zinc/03/06/05/1051030605.db2.gz KJDLAFHWEOROHQ-RXVVDRJESA-N 1 0 382.529 3.963 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001310211095 1051225415 /nfs/dbraw/zinc/22/54/15/1051225415.db2.gz NXEXTAJAOCTPQL-UHFFFAOYSA-N 1 0 377.448 3.517 20 30 GHEDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001310351645 1051303124 /nfs/dbraw/zinc/30/31/24/1051303124.db2.gz AKBWGOQBDKIDEI-UHFFFAOYSA-N 1 0 381.480 3.797 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001332010809 1051437498 /nfs/dbraw/zinc/43/74/98/1051437498.db2.gz NUAQCRXFOYGTTK-NQERJWCQSA-N 1 0 380.467 3.845 20 30 GHEDRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)cc1N(C)C ZINC001310839691 1051637294 /nfs/dbraw/zinc/63/72/94/1051637294.db2.gz ZYZATSKXFQHBPW-FQEVSTJZSA-N 1 0 391.519 3.671 20 30 GHEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001333374249 1051727715 /nfs/dbraw/zinc/72/77/15/1051727715.db2.gz CGNKNBVPDLJZLC-AOCRQIFASA-N 1 0 375.538 3.549 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1)C(C)C ZINC001311389262 1052080957 /nfs/dbraw/zinc/08/09/57/1052080957.db2.gz XRZMEARPXAMOCB-FYYLOGMGSA-N 1 0 398.595 3.962 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2F)CC1 ZINC001335755418 1052165910 /nfs/dbraw/zinc/16/59/10/1052165910.db2.gz YFHZGKPHZKVCGN-UHFFFAOYSA-N 1 0 384.430 3.619 20 30 GHEDRO C#CCCCc1nnc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)n1Cc1cccs1 ZINC001336398339 1052266916 /nfs/dbraw/zinc/26/69/16/1052266916.db2.gz IGCAGVAWFVSUCL-GBESFXJTSA-N 1 0 397.592 3.510 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC001312021144 1052533166 /nfs/dbraw/zinc/53/31/66/1052533166.db2.gz RCJUASAJAVSBHW-OAQYLSRUSA-N 1 0 399.922 3.692 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001312163985 1052608683 /nfs/dbraw/zinc/60/86/83/1052608683.db2.gz ILTJREMLTXVCMZ-SIKLNZKXSA-N 1 0 391.515 3.551 20 30 GHEDRO C#C[C@H](NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC001312218151 1052642920 /nfs/dbraw/zinc/64/29/20/1052642920.db2.gz DYVLGDYHQISOIX-SPEDKVCISA-N 1 0 393.506 3.956 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC001312939397 1052916553 /nfs/dbraw/zinc/91/65/53/1052916553.db2.gz GMGGUJWTRKSNPG-HLAWJBBLSA-N 1 0 381.907 3.659 20 30 GHEDRO C#C[C@@H](NC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001312941211 1052916998 /nfs/dbraw/zinc/91/69/98/1052916998.db2.gz XYTOZENYZNAWOO-HSZRJFAPSA-N 1 0 375.516 3.962 20 30 GHEDRO C[C@@H](Cc1cccs1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312946915 1052918094 /nfs/dbraw/zinc/91/80/94/1052918094.db2.gz QWLPNMGYTFAWRI-KRWDZBQOSA-N 1 0 396.560 3.857 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001342298299 1053085280 /nfs/dbraw/zinc/08/52/80/1053085280.db2.gz ICQMGBPKZHBVSP-ROUUACIJSA-N 1 0 375.561 3.652 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001313657085 1053157348 /nfs/dbraw/zinc/15/73/48/1053157348.db2.gz JAWRNHZKRDQVGI-KSZLIROESA-N 1 0 380.540 3.782 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001342454401 1053178482 /nfs/dbraw/zinc/17/84/82/1053178482.db2.gz KCPRZOLQGGNQNR-MJGOQNOKSA-N 1 0 387.572 3.652 20 30 GHEDRO CC[NH+]1CCC(CCn2c(-c3ccccc3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001313880020 1053268721 /nfs/dbraw/zinc/26/87/21/1053268721.db2.gz GFLSYCKLTGLBED-SFHVURJKSA-N 1 0 380.540 3.805 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001342826940 1053376499 /nfs/dbraw/zinc/37/64/99/1053376499.db2.gz JETHPHGKOZITCO-IBGZPJMESA-N 1 0 377.577 3.898 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(Cc3cccc(C#N)c3)n2CC(C)C)CC1 ZINC001343009074 1053493439 /nfs/dbraw/zinc/49/34/39/1053493439.db2.gz DKCLKLZPYKAAKL-UHFFFAOYSA-N 1 0 394.567 3.707 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)c1ccco1 ZINC001314651941 1053551557 /nfs/dbraw/zinc/55/15/57/1053551557.db2.gz SZOCAWFZBJPADM-GOSISDBHSA-N 1 0 398.555 3.893 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCC[NH+]1CCCCC1 ZINC001314739934 1053583350 /nfs/dbraw/zinc/58/33/50/1053583350.db2.gz KOGGGYOLAUWUMK-UHFFFAOYSA-N 1 0 378.524 3.540 20 30 GHEDRO C[N@H+](CCCn1c(CC2CC2)nnc1N1CCC(C#N)CC1)C1CCCCC1 ZINC001314852322 1053652118 /nfs/dbraw/zinc/65/21/18/1053652118.db2.gz WFIIXVVXTFKXOX-UHFFFAOYSA-N 1 0 384.572 3.625 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001343388462 1053742252 /nfs/dbraw/zinc/74/22/52/1053742252.db2.gz CGVFDVXXUMKUPN-UHFFFAOYSA-N 1 0 377.492 3.544 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@H]2C1 ZINC001343515536 1053834915 /nfs/dbraw/zinc/83/49/15/1053834915.db2.gz PQAYSOBROVUDMT-IPMKNSEASA-N 1 0 378.520 3.747 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nnc1C(C)(C)O ZINC001343523530 1053838468 /nfs/dbraw/zinc/83/84/68/1053838468.db2.gz OUNAIGPKXDSSEC-SFHVURJKSA-N 1 0 389.588 3.563 20 30 GHEDRO Cc1cc(C#N)ccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(C)C ZINC001343541522 1053856687 /nfs/dbraw/zinc/85/66/87/1053856687.db2.gz QBIYPLBHHVKODT-UHFFFAOYSA-N 1 0 394.567 3.672 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1C1(OCC)CCC1 ZINC001343591281 1053910423 /nfs/dbraw/zinc/91/04/23/1053910423.db2.gz VKOICMYJUHELBU-UHFFFAOYSA-N 1 0 375.561 3.581 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001343657398 1053953028 /nfs/dbraw/zinc/95/30/28/1053953028.db2.gz SOGAGPURCMLEHB-AWEZNQCLSA-N 1 0 394.976 3.799 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc(C#N)c1 ZINC001344047274 1054208998 /nfs/dbraw/zinc/20/89/98/1054208998.db2.gz LVEUGAJUAJPNPA-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO N#Cc1ccc(NCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001344086072 1054236956 /nfs/dbraw/zinc/23/69/56/1054236956.db2.gz FOSZJVAZDZQJNG-NOTZXAQLSA-N 1 0 388.515 3.672 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001344333433 1054358517 /nfs/dbraw/zinc/35/85/17/1054358517.db2.gz AMNHNHSNRPBPOV-CABCVRRESA-N 1 0 376.806 3.559 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001344426254 1054455198 /nfs/dbraw/zinc/45/51/98/1054455198.db2.gz UFUZOJXWHXKCGT-UHFFFAOYSA-N 1 0 376.903 3.558 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cccs1 ZINC001344770415 1054731902 /nfs/dbraw/zinc/73/19/02/1054731902.db2.gz BBADBAUOITZJKC-INIZCTEOSA-N 1 0 386.569 3.716 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC001318787815 1054874424 /nfs/dbraw/zinc/87/44/24/1054874424.db2.gz QJJXWMSRLVHBNZ-UHFFFAOYSA-N 1 0 390.405 3.627 20 30 GHEDRO CC(C)Cn1c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nnc1C1(C#N)CCCCC1 ZINC001345160544 1054923568 /nfs/dbraw/zinc/92/35/68/1054923568.db2.gz BXVKTGZMPGDIOH-SLFFLAALSA-N 1 0 398.599 3.826 20 30 GHEDRO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1OCc1cccc(C#N)c1 ZINC001319424633 1055243201 /nfs/dbraw/zinc/24/32/01/1055243201.db2.gz SOSRIMRDODJHJE-SVGJNIJCSA-N 1 0 392.499 3.739 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C1 ZINC001320038283 1055614263 /nfs/dbraw/zinc/61/42/63/1055614263.db2.gz OVPPEFBEMDSASH-CQOQZXRMSA-N 1 0 381.516 3.739 20 30 GHEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001320132423 1055667990 /nfs/dbraw/zinc/66/79/90/1055667990.db2.gz XCDUZMRPFUTXDI-AYOQOUSVSA-N 1 0 375.472 3.906 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC001320868081 1055992910 /nfs/dbraw/zinc/99/29/10/1055992910.db2.gz QKYMVHNIXGDYKV-AWEZNQCLSA-N 1 0 387.867 3.758 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCc2cnn(C(C)C)c21)C(C)C ZINC001321194141 1056149533 /nfs/dbraw/zinc/14/95/33/1056149533.db2.gz RJPLXLKZTQKMMB-PMACEKPBSA-N 1 0 387.572 3.839 20 30 GHEDRO N#Cc1sccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC001354133973 1056361993 /nfs/dbraw/zinc/36/19/93/1056361993.db2.gz KUVDEHQYDZNTQN-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO N#CCOc1cccc(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC001321819014 1056407921 /nfs/dbraw/zinc/40/79/21/1056407921.db2.gz UGMUYAYDISBZPK-IBGZPJMESA-N 1 0 379.460 3.732 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001354356791 1056555427 /nfs/dbraw/zinc/55/54/27/1056555427.db2.gz KIROGQIRYARPFC-YADHBBJMSA-N 1 0 375.516 3.888 20 30 GHEDRO C#CCN(CC)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300597334 1056594474 /nfs/dbraw/zinc/59/44/74/1056594474.db2.gz DQVHSJZSHYWDNW-FQEVSTJZSA-N 1 0 379.552 3.700 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCCC1 ZINC001300603362 1056612888 /nfs/dbraw/zinc/61/28/88/1056612888.db2.gz ZUDDJCRTMFOOTJ-HXUWFJFHSA-N 1 0 395.551 3.590 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300616569 1056672237 /nfs/dbraw/zinc/67/22/37/1056672237.db2.gz JWBDLIBIZNZUMY-KRWDZBQOSA-N 1 0 385.943 3.790 20 30 GHEDRO C#CCN(CC)c1nnc(CCc2ccccc2)n1CC[N@H+](C)C1CCCCC1 ZINC001300633938 1056734753 /nfs/dbraw/zinc/73/47/53/1056734753.db2.gz POZJLKSEPPJQFZ-UHFFFAOYSA-N 1 0 393.579 3.787 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300648494 1056767094 /nfs/dbraw/zinc/76/70/94/1056767094.db2.gz FFICMFLDZUZWFD-RBUKOAKNSA-N 1 0 397.542 3.740 20 30 GHEDRO C=CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001323730098 1057005695 /nfs/dbraw/zinc/00/56/95/1057005695.db2.gz ROKBVIUSEPPATH-IBGZPJMESA-N 1 0 378.472 3.523 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+](CC)CCC ZINC001300789243 1057029287 /nfs/dbraw/zinc/02/92/87/1057029287.db2.gz COKZOBGGGGKJAC-HSZRJFAPSA-N 1 0 390.535 3.541 20 30 GHEDRO C=C[C@H](COC)[NH2+]Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC001324023431 1057057204 /nfs/dbraw/zinc/05/72/04/1057057204.db2.gz VDDONIRYROVWAH-LLVKDONJSA-N 1 0 380.229 3.740 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000848531342 1057152740 /nfs/dbraw/zinc/15/27/40/1057152740.db2.gz PWFGNCYPEXKPGN-UHFFFAOYSA-N 1 0 386.293 3.979 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001324923863 1057248766 /nfs/dbraw/zinc/24/87/66/1057248766.db2.gz GXJIKGJKOGKWHM-HXUWFJFHSA-N 1 0 396.510 3.548 20 30 GHEDRO C=CCn1c([C@H](O)CCCCC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001355855830 1057294365 /nfs/dbraw/zinc/29/43/65/1057294365.db2.gz RQJYWUXBSREFET-MISYRCLQSA-N 1 0 387.572 3.531 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 ZINC001356047608 1057369005 /nfs/dbraw/zinc/36/90/05/1057369005.db2.gz UFAYFRYNHPQETB-UYAOXDASSA-N 1 0 381.524 3.623 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC(C)(C)N2CCOCC2)cc1 ZINC000849054465 1057564965 /nfs/dbraw/zinc/56/49/65/1057564965.db2.gz IZBMCQWJHGWSAB-UHFFFAOYSA-N 1 0 380.536 3.664 20 30 GHEDRO O=S(=O)(CC[NH+]=C(Nc1ccccc1)N1CCCCC1)Cc1ccccc1 ZINC000849064172 1057575291 /nfs/dbraw/zinc/57/52/91/1057575291.db2.gz WKODSHOHHCUIPT-UHFFFAOYSA-N 1 0 385.533 3.555 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001357115836 1057607896 /nfs/dbraw/zinc/60/78/96/1057607896.db2.gz GJCLNPRXHPFXGW-RTBURBONSA-N 1 0 394.567 3.831 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]4CCCC[C@H]4C3)CC2)c1 ZINC001327281384 1057632752 /nfs/dbraw/zinc/63/27/52/1057632752.db2.gz BWXJISIOVQDSIO-SFTDATJTSA-N 1 0 380.536 3.744 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C\C(=O)c3ccc(C)cc3)c(C)c2)CC1 ZINC001440611903 1058544037 /nfs/dbraw/zinc/54/40/37/1058544037.db2.gz FDDHEEUFSUPEQS-QXMHVHEDSA-N 1 0 391.515 3.823 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC([NH2+]C4CCOCC4)CC3)c2c1 ZINC001338425054 1058560004 /nfs/dbraw/zinc/56/00/04/1058560004.db2.gz WJVZGPVQSUWMIG-UHFFFAOYSA-N 1 0 384.911 3.806 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001338727211 1058751335 /nfs/dbraw/zinc/75/13/35/1058751335.db2.gz WZQXVPIMFLTNAJ-UHFFFAOYSA-N 1 0 377.488 3.747 20 30 GHEDRO C=CCn1c(-c2ccc(C)nc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001338800076 1058793948 /nfs/dbraw/zinc/79/39/48/1058793948.db2.gz ZZPOXXKGSZYLBY-NQIIRXRSSA-N 1 0 392.551 3.596 20 30 GHEDRO C=CCn1c(CSc2ccccc2O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001338995480 1058917813 /nfs/dbraw/zinc/91/78/13/1058917813.db2.gz PNJKXYUYJBOTBE-QGZVFWFLSA-N 1 0 399.564 3.527 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001339021601 1058927071 /nfs/dbraw/zinc/92/70/71/1058927071.db2.gz MEFUZYWATCVNEZ-UHFFFAOYSA-N 1 0 396.514 3.552 20 30 GHEDRO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339123190 1058970151 /nfs/dbraw/zinc/97/01/51/1058970151.db2.gz KBRZIXZEDUYGKG-MRXNPFEDSA-N 1 0 379.499 3.822 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC001339253926 1059042892 /nfs/dbraw/zinc/04/28/92/1059042892.db2.gz NJMSRRPHNPEPNW-HMXCVIKNSA-N 1 0 392.551 3.713 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccn(-c2ccc(Cl)cc2)n1)C(C)C ZINC001443426653 1059128007 /nfs/dbraw/zinc/12/80/07/1059128007.db2.gz KVWFRBQGBXLNGM-HXUWFJFHSA-N 1 0 386.927 3.954 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N(C)[C@@H](C)CC#N ZINC001339692198 1059395848 /nfs/dbraw/zinc/39/58/48/1059395848.db2.gz XTZCPUQEQSPVBP-AZUAARDMSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339775593 1059460878 /nfs/dbraw/zinc/46/08/78/1059460878.db2.gz WULNFUQDEXLEPS-KRWDZBQOSA-N 1 0 377.577 3.897 20 30 GHEDRO CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001339844375 1059514741 /nfs/dbraw/zinc/51/47/41/1059514741.db2.gz BCTGKVCQPCXNLI-HXUWFJFHSA-N 1 0 379.589 3.561 20 30 GHEDRO C=CCn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339891026 1059539734 /nfs/dbraw/zinc/53/97/34/1059539734.db2.gz CQVSSNNRXHDMDI-SFHVURJKSA-N 1 0 395.551 3.639 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001445597555 1059573217 /nfs/dbraw/zinc/57/32/17/1059573217.db2.gz CCMGURKBRZHPGK-LBPRGKRZSA-N 1 0 394.338 3.868 20 30 GHEDRO CCn1c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nnc1N1CCC(CC#N)CC1 ZINC001340084050 1059681511 /nfs/dbraw/zinc/68/15/11/1059681511.db2.gz QDQIODYPRLJCKF-WIYYLYMNSA-N 1 0 392.551 3.664 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001340207921 1059765097 /nfs/dbraw/zinc/76/50/97/1059765097.db2.gz VRBXBYWSEFAOHV-ROUUACIJSA-N 1 0 397.571 3.504 20 30 GHEDRO C=CCn1c(-c2cc3ccc(OC)cc3[nH]2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340671756 1060037255 /nfs/dbraw/zinc/03/72/55/1060037255.db2.gz HEOFZEYQSCVDRT-UHFFFAOYSA-N 1 0 394.523 3.588 20 30 GHEDRO CCc1ccc(C#CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC001449169012 1060342932 /nfs/dbraw/zinc/34/29/32/1060342932.db2.gz FZNCFQQQBRHIRV-NRFANRHFSA-N 1 0 380.557 3.951 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H](C)CCC#N)n2Cc2ccccc2)C1 ZINC001341145058 1060448063 /nfs/dbraw/zinc/44/80/63/1060448063.db2.gz LMOISPZTCMSLNA-CTNGQTDRSA-N 1 0 394.567 3.902 20 30 GHEDRO CCn1c([C@@H](C)CCC#N)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001341150635 1060453624 /nfs/dbraw/zinc/45/36/24/1060453624.db2.gz HJMVGOZHXQVTMN-AWEZNQCLSA-N 1 0 386.466 3.558 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001450060390 1060514634 /nfs/dbraw/zinc/51/46/34/1060514634.db2.gz FKHKMMQEVYWEHL-MJGOQNOKSA-N 1 0 393.572 3.569 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccc(C(C)C)cc3)CCC2)c1C#N ZINC001341227140 1060514825 /nfs/dbraw/zinc/51/48/25/1060514825.db2.gz DUKAVRYAHFJMFE-UHFFFAOYSA-N 1 0 379.508 3.617 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001450487913 1060603398 /nfs/dbraw/zinc/60/33/98/1060603398.db2.gz MSDZALJFEHWPTL-HXUWFJFHSA-N 1 0 388.870 3.671 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nnc1C1(C#N)CCCCC1 ZINC001341893416 1060941658 /nfs/dbraw/zinc/94/16/58/1060941658.db2.gz LYIGFJHDVGCCAO-ZCNNSNEGSA-N 1 0 396.583 3.746 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001341901726 1060944733 /nfs/dbraw/zinc/94/47/33/1060944733.db2.gz FACXOEINLYMLRS-ZWKOTPCHSA-N 1 0 375.561 3.795 20 30 GHEDRO C=CCn1c(-c2c(C)n[nH]c2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001341969207 1060975950 /nfs/dbraw/zinc/97/59/50/1060975950.db2.gz RDAFZJVNIKILMV-APWZRJJASA-N 1 0 397.571 3.562 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2C)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001341992627 1060986619 /nfs/dbraw/zinc/98/66/19/1060986619.db2.gz BTUOWCMQSKOMPJ-ZBFHGGJFSA-N 1 0 385.478 3.831 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001342018803 1060999250 /nfs/dbraw/zinc/99/92/50/1060999250.db2.gz BRVYTUHMIWXWGH-IAGOWNOFSA-N 1 0 379.499 3.822 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[NH+](CC)CC)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001342089005 1061049983 /nfs/dbraw/zinc/04/99/83/1061049983.db2.gz RWCQPXPTIBYERL-XXBNENTESA-N 1 0 396.583 3.748 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC=NO2)nnc1N1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001342123696 1061070598 /nfs/dbraw/zinc/07/05/98/1061070598.db2.gz ZVFHJTPSSVAQLA-WMZOPIPTSA-N 1 0 397.527 3.637 20 30 GHEDRO C=CCn1c([C@H](C)c2ccccn2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001342224946 1061152619 /nfs/dbraw/zinc/15/26/19/1061152619.db2.gz GYLYYOVPATXSIQ-LJQANCHMSA-N 1 0 394.567 3.856 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC(C)=NN=C2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342241797 1061166693 /nfs/dbraw/zinc/16/66/93/1061166693.db2.gz HKQVBUOELFCOJW-LJQANCHMSA-N 1 0 397.571 3.633 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001453642297 1061173014 /nfs/dbraw/zinc/17/30/14/1061173014.db2.gz OKDLWIHLDLOINV-NVXWUHKLSA-N 1 0 399.963 3.546 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC001342252879 1061177759 /nfs/dbraw/zinc/17/77/59/1061177759.db2.gz JSFRNHNJCPEGKX-QUCCMNQESA-N 1 0 381.524 3.623 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001346221664 1061460374 /nfs/dbraw/zinc/46/03/74/1061460374.db2.gz PAWPDNRQFYVIIV-QFIPXVFZSA-N 1 0 378.520 3.705 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001346228840 1061465858 /nfs/dbraw/zinc/46/58/58/1061465858.db2.gz NBPAMGSHSRELNI-OTWHNJEPSA-N 1 0 387.572 3.590 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(COc3ccc(F)cc3)cc2)CCOCC1 ZINC001346367969 1061534258 /nfs/dbraw/zinc/53/42/58/1061534258.db2.gz VFQSSYQDVFTPRF-OAQYLSRUSA-N 1 0 398.478 3.566 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2CCC(CC)([NH+]3CCC3)CC2)n1CC1CC1 ZINC001346520739 1061644229 /nfs/dbraw/zinc/64/42/29/1061644229.db2.gz XFTDJKXYHAEHPS-UHFFFAOYSA-N 1 0 384.572 3.724 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(c2nnc(CCCCC#N)n2CC2CC2)CC1 ZINC001346859737 1061943006 /nfs/dbraw/zinc/94/30/06/1061943006.db2.gz CEJUDRMOEITMJN-UHFFFAOYSA-N 1 0 384.572 3.769 20 30 GHEDRO C=C(C)C[C@@H](CO)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001455197880 1062045313 /nfs/dbraw/zinc/04/53/13/1062045313.db2.gz DVVOBUCBNVOPKZ-JBRSBNLGSA-N 1 0 392.543 3.520 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3(C#N)CCCCC3)n2CC2CC2)C1 ZINC001347809211 1062688168 /nfs/dbraw/zinc/68/81/68/1062688168.db2.gz VOPZRXCEPOQNJK-LJQANCHMSA-N 1 0 384.572 3.582 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CC[NH+]([C@@H](CC)c3ccccc3)CC2)cc1 ZINC001456979197 1062937281 /nfs/dbraw/zinc/93/72/81/1062937281.db2.gz IULMQYJGVKTXBL-QHCPKHFHSA-N 1 0 376.500 3.998 20 30 GHEDRO N#CC1(COC(=O)c2nncc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001348950192 1063438180 /nfs/dbraw/zinc/43/81/80/1063438180.db2.gz BDOWYZJHOIGHRI-UHFFFAOYSA-N 1 0 386.455 3.593 20 30 GHEDRO C[C@@H]1C[NH+](CCCCNc2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H](C)O1 ZINC001458263220 1063702882 /nfs/dbraw/zinc/70/28/82/1063702882.db2.gz PKQFZWNJAWYKCC-QZTJIDSGSA-N 1 0 395.551 3.785 20 30 GHEDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1C#N ZINC001459367127 1064077174 /nfs/dbraw/zinc/07/71/74/1064077174.db2.gz GZYCXPNYNGZHLS-SFHVURJKSA-N 1 0 389.293 3.583 20 30 GHEDRO C[N@H+](CCCOc1cccc(C#N)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001459527597 1064120793 /nfs/dbraw/zinc/12/07/93/1064120793.db2.gz MJENQBWAFDXEEK-UHFFFAOYSA-N 1 0 390.386 3.789 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001351344777 1064393186 /nfs/dbraw/zinc/39/31/86/1064393186.db2.gz WVZKAJOHCXTZBM-UHFFFAOYSA-N 1 0 397.429 3.576 20 30 GHEDRO N#CC1(CC[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCCCC1 ZINC001351497230 1064481596 /nfs/dbraw/zinc/48/15/96/1064481596.db2.gz YDSOJYPGPKFYGD-YVSFHVDLSA-N 1 0 383.458 3.582 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001300049776 1065120480 /nfs/dbraw/zinc/12/04/80/1065120480.db2.gz RNFLLLBVLSRKHT-VXKWHMMOSA-N 1 0 382.548 3.872 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1ccc(C#N)cn1 ZINC001352656839 1065208732 /nfs/dbraw/zinc/20/87/32/1065208732.db2.gz ROTRYISTNKNBJJ-RCZVLFRGSA-N 1 0 396.494 3.982 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)nc1)C(C)C ZINC001464867600 1065251295 /nfs/dbraw/zinc/25/12/95/1065251295.db2.gz CBBAQNFXLHTYIY-OAQYLSRUSA-N 1 0 384.568 3.746 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C ZINC001464870683 1065253557 /nfs/dbraw/zinc/25/35/57/1065253557.db2.gz MPSRKSPLNUZQDJ-RTBURBONSA-N 1 0 393.572 3.591 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1c2ccccc2C(=O)OC1(C)C)C(C)C ZINC001464872290 1065254541 /nfs/dbraw/zinc/25/45/41/1065254541.db2.gz SGEUMXJOJDAGII-PMACEKPBSA-N 1 0 384.520 3.534 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C(=O)OC)c(F)cc1F)C(C)C ZINC001465214288 1065467899 /nfs/dbraw/zinc/46/78/99/1065467899.db2.gz XFAUMMRUAQANEA-SFHVURJKSA-N 1 0 395.450 3.572 20 30 GHEDRO CCCCCCCCCCNC(=S)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001200218997 1065622026 /nfs/dbraw/zinc/62/20/26/1065622026.db2.gz RMVCNYOBFSVHJF-WGSAOQKQSA-N 1 0 398.661 3.580 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1n[nH]c(C)c1-c1cccc(Br)c1 ZINC001465727802 1065814408 /nfs/dbraw/zinc/81/44/08/1065814408.db2.gz JYXAVQKCFMZULH-UHFFFAOYSA-N 1 0 377.286 3.594 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC001200292766 1065835066 /nfs/dbraw/zinc/83/50/66/1065835066.db2.gz KBAQVKDVHCGCIN-QFIPXVFZSA-N 1 0 383.923 3.992 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300281369 1065917522 /nfs/dbraw/zinc/91/75/22/1065917522.db2.gz CEAVAHNQABHXGI-PXNSSMCTSA-N 1 0 395.551 3.532 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2C#N)C[N@@H+]1Cc1ccccc1 ZINC001465915894 1065920269 /nfs/dbraw/zinc/92/02/69/1065920269.db2.gz NXPGWMJEBFDVJD-RDTXWAMCSA-N 1 0 398.304 3.714 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300296161 1065947036 /nfs/dbraw/zinc/94/70/36/1065947036.db2.gz SYDLFXSAGUYVFP-HKUYNNGSSA-N 1 0 380.540 3.528 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001300302637 1065956907 /nfs/dbraw/zinc/95/69/07/1065956907.db2.gz DAHJLFYFXVMVHF-UZLBHIALSA-N 1 0 383.515 3.836 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001300304779 1065960845 /nfs/dbraw/zinc/96/08/45/1065960845.db2.gz VITCBVKEIXAJQL-TYPHKJRUSA-N 1 0 395.551 3.589 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC1CC[NH+](CCC)CC1 ZINC001300314434 1065974863 /nfs/dbraw/zinc/97/48/63/1065974863.db2.gz XHFWDVSPBMQPGA-GOSISDBHSA-N 1 0 397.542 3.588 20 30 GHEDRO Cc1cnccc1/C=C/C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746191 1066018453 /nfs/dbraw/zinc/01/84/53/1066018453.db2.gz BIFDGIKGIUHNQB-BQYQJAHWSA-N 1 0 375.472 3.752 20 30 GHEDRO CCc1nc(CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000847749697 1066035514 /nfs/dbraw/zinc/03/55/14/1066035514.db2.gz YVKCZQDJWWDCKZ-UHFFFAOYSA-N 1 0 383.517 3.597 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC001466353929 1066109512 /nfs/dbraw/zinc/10/95/12/1066109512.db2.gz BPSBZIQSGPAGDE-ZWDAVXSWSA-N 1 0 395.453 3.867 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](c1nccs1)C(F)(F)F)C(C)C ZINC001466628661 1066221733 /nfs/dbraw/zinc/22/17/33/1066221733.db2.gz ZYRYIJHEYAIOAV-UONOGXRCSA-N 1 0 390.475 3.744 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C)c(N(C)C)cc2C#N)c1 ZINC001466762700 1066300842 /nfs/dbraw/zinc/30/08/42/1066300842.db2.gz VXQKIFDPYJVMFX-UHFFFAOYSA-N 1 0 393.535 3.837 20 30 GHEDRO C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)[NH+](CC)CC ZINC001300431810 1066314921 /nfs/dbraw/zinc/31/49/21/1066314921.db2.gz LZQVXWRRQHPTSM-LJQANCHMSA-N 1 0 379.552 3.548 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3sccc3C#N)cc2)C[C@@H](C)O1 ZINC001466986421 1066429152 /nfs/dbraw/zinc/42/91/52/1066429152.db2.gz ZAOSEDKJISWWIG-HUUCEWRRSA-N 1 0 384.505 3.551 20 30 GHEDRO Cc1cc(NC(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1C#N ZINC001467112455 1067075782 /nfs/dbraw/zinc/07/57/82/1067075782.db2.gz FSKOKYPBZKSFNT-FQEVSTJZSA-N 1 0 377.492 3.780 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccccc1 ZINC001357641417 1067211204 /nfs/dbraw/zinc/21/12/04/1067211204.db2.gz AFHFKFNGQBGFPZ-PZJWPPBQSA-N 1 0 392.551 3.798 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001467340464 1067237602 /nfs/dbraw/zinc/23/76/02/1067237602.db2.gz OSUJSWQCZSNLTE-YXAHYSCSSA-N 1 0 382.479 3.681 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)NC(C)(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001477650894 1078508077 /nfs/dbraw/zinc/50/80/77/1078508077.db2.gz SPBFRGTWEMXKFH-NRFANRHFSA-N 1 0 378.520 3.790 20 30 GHEDRO C=C[C@@H](O)c1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1CC(C)C ZINC001358067364 1067385954 /nfs/dbraw/zinc/38/59/54/1067385954.db2.gz QQVIALYOBNXJFX-OAQYLSRUSA-N 1 0 397.567 3.502 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001467675765 1067413027 /nfs/dbraw/zinc/41/30/27/1067413027.db2.gz FEBVHEZGPIAJKE-OAQYLSRUSA-N 1 0 381.520 3.857 20 30 GHEDRO C=CCC1(CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC001467725605 1067438585 /nfs/dbraw/zinc/43/85/85/1067438585.db2.gz RYCVWULWHOBWRS-UHFFFAOYSA-N 1 0 384.568 3.634 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC001467728222 1067439658 /nfs/dbraw/zinc/43/96/58/1067439658.db2.gz ALPUVTVZKLFTLS-UHFFFAOYSA-N 1 0 375.513 3.922 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)cc1Cl ZINC001473826244 1067576623 /nfs/dbraw/zinc/57/66/23/1067576623.db2.gz OACRLMCKVNOLFV-UHFFFAOYSA-N 1 0 397.862 3.590 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001358876405 1067590514 /nfs/dbraw/zinc/59/05/14/1067590514.db2.gz ITUZHCHGWMXBOM-SFHVURJKSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001358878756 1067591028 /nfs/dbraw/zinc/59/10/28/1067591028.db2.gz CYRJPXQEEFAPGC-INIZCTEOSA-N 1 0 397.954 3.931 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCC[C@H]1C ZINC001358942746 1067623886 /nfs/dbraw/zinc/62/38/86/1067623886.db2.gz IKRIVCXDXPDQEC-GOSISDBHSA-N 1 0 379.552 3.796 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC[N@@H+](C)CCCC ZINC001359005626 1067647296 /nfs/dbraw/zinc/64/72/96/1067647296.db2.gz PMDABYLJFWYMPT-UHFFFAOYSA-N 1 0 390.535 3.685 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1Cc1ccccc1C[NH+](CC)CC ZINC001359008626 1067650547 /nfs/dbraw/zinc/65/05/47/1067650547.db2.gz VJQCWIXJKCUUIF-UHFFFAOYSA-N 1 0 379.552 3.895 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001359073030 1067673180 /nfs/dbraw/zinc/67/31/80/1067673180.db2.gz ZYBDAIKMCWVOTK-AUSIDOKSSA-N 1 0 395.551 3.899 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359112552 1067691214 /nfs/dbraw/zinc/69/12/14/1067691214.db2.gz MRQPNIDPZLMOQK-PMACEKPBSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359123823 1067697299 /nfs/dbraw/zinc/69/72/99/1067697299.db2.gz PUAOWHCJCPLDTB-UHFFFAOYSA-N 1 0 397.567 3.971 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359147337 1067708858 /nfs/dbraw/zinc/70/88/58/1067708858.db2.gz CIRVOHIKNPOYNV-OAHLLOKOSA-N 1 0 375.879 3.511 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359163138 1067718882 /nfs/dbraw/zinc/71/88/82/1067718882.db2.gz SESGMTCZWLQXEN-NRFANRHFSA-N 1 0 388.519 3.799 20 30 GHEDRO C=C1CCN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359163399 1067718937 /nfs/dbraw/zinc/71/89/37/1067718937.db2.gz CROLVUAEVGPOKB-IBGZPJMESA-N 1 0 395.555 3.546 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001359167148 1067721275 /nfs/dbraw/zinc/72/12/75/1067721275.db2.gz UZWFCRUPZOPZNG-UHFFFAOYSA-N 1 0 385.581 3.961 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001359175861 1067734156 /nfs/dbraw/zinc/73/41/56/1067734156.db2.gz CNYABHYXMIBFFA-UHFFFAOYSA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCCCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359219646 1067797217 /nfs/dbraw/zinc/79/72/17/1067797217.db2.gz YMCRPFTWPLSZGS-UHFFFAOYSA-N 1 0 397.567 3.910 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2c[nH]c3cccc(C#N)c32)c1 ZINC001468670347 1067815892 /nfs/dbraw/zinc/81/58/92/1067815892.db2.gz QBEOPWFOUFIZTP-UHFFFAOYSA-N 1 0 389.459 3.572 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001359237141 1067843242 /nfs/dbraw/zinc/84/32/42/1067843242.db2.gz MPPIXNAUQOKJIH-NRFANRHFSA-N 1 0 388.519 3.627 20 30 GHEDRO C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359240938 1067850611 /nfs/dbraw/zinc/85/06/11/1067850611.db2.gz AHGWMQPOZWXUHV-MRXNPFEDSA-N 1 0 389.494 3.501 20 30 GHEDRO C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359242998 1067855149 /nfs/dbraw/zinc/85/51/49/1067855149.db2.gz ZYANZAJGAMTUIR-GOSISDBHSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359243659 1067855556 /nfs/dbraw/zinc/85/55/56/1067855556.db2.gz YZNFPDHXCGVPDD-FQEVSTJZSA-N 1 0 381.568 3.950 20 30 GHEDRO C=CCN(c1nnc(CC(C)C)n1CC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC001359251381 1067902089 /nfs/dbraw/zinc/90/20/89/1067902089.db2.gz KFAYQELHHVJLCP-UHFFFAOYSA-N 1 0 389.588 3.521 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849580892 1067913156 /nfs/dbraw/zinc/91/31/56/1067913156.db2.gz CVKNLSJYHRBRNG-NHCUHLMSSA-N 1 0 380.536 3.946 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359271277 1067938319 /nfs/dbraw/zinc/93/83/19/1067938319.db2.gz PZNUDHLBCYTTAZ-IEBWSBKVSA-N 1 0 385.512 3.594 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CC=CCC1 ZINC001359272807 1067941038 /nfs/dbraw/zinc/94/10/38/1067941038.db2.gz CPPYLXONNBNGGM-UHFFFAOYSA-N 1 0 399.489 3.587 20 30 GHEDRO C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359277515 1067947392 /nfs/dbraw/zinc/94/73/92/1067947392.db2.gz NYNYQHGIORYFOM-RTBURBONSA-N 1 0 385.556 3.789 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001468995354 1067947427 /nfs/dbraw/zinc/94/74/27/1067947427.db2.gz QDPDWLYETRGJPY-UHFFFAOYSA-N 1 0 393.531 3.805 20 30 GHEDRO CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359607769 1068105507 /nfs/dbraw/zinc/10/55/07/1068105507.db2.gz APFRTYTYHFIZMC-NRFANRHFSA-N 1 0 390.535 3.848 20 30 GHEDRO CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)C1 ZINC001359882191 1068236784 /nfs/dbraw/zinc/23/67/84/1068236784.db2.gz ZBRGYMKLPVLZBY-HXUWFJFHSA-N 1 0 392.551 3.785 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(C2CCC2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC001360111076 1068367061 /nfs/dbraw/zinc/36/70/61/1068367061.db2.gz YGBWDVBTVXZNJM-RTWAWAEBSA-N 1 0 392.551 3.629 20 30 GHEDRO C#CCN(C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001469819917 1068407197 /nfs/dbraw/zinc/40/71/97/1068407197.db2.gz XLKDXSKWPJWOLK-HNNXBMFYSA-N 1 0 381.442 3.548 20 30 GHEDRO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N(C)[C@H](C)CC#N)C(C)C ZINC001360471867 1068520186 /nfs/dbraw/zinc/52/01/86/1068520186.db2.gz QJVPUCBUICLWTA-GOSISDBHSA-N 1 0 383.544 3.587 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001470051299 1068543842 /nfs/dbraw/zinc/54/38/42/1068543842.db2.gz UAXSLHYSFXGLAF-IBGZPJMESA-N 1 0 379.504 3.581 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001360788437 1068630803 /nfs/dbraw/zinc/63/08/03/1068630803.db2.gz TZMSXRSMBGRDDP-UHFFFAOYSA-N 1 0 384.572 3.580 20 30 GHEDRO COc1ccc(F)cc1-c1cncc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC001460354621 1068938528 /nfs/dbraw/zinc/93/85/28/1068938528.db2.gz AIYBVACWXDJMKE-JOCHJYFZSA-N 1 0 391.446 3.933 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC001460576303 1069003625 /nfs/dbraw/zinc/00/36/25/1069003625.db2.gz DJOCWXDIEHCASZ-HXUWFJFHSA-N 1 0 382.552 3.662 20 30 GHEDRO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC001460664863 1069069295 /nfs/dbraw/zinc/06/92/95/1069069295.db2.gz BYZILZDHESMQMP-UHFFFAOYSA-N 1 0 388.556 3.950 20 30 GHEDRO N#Cc1ccc(Br)c(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1 ZINC001460746387 1069152131 /nfs/dbraw/zinc/15/21/31/1069152131.db2.gz CONOUTKKSOMZFV-AZUAARDMSA-N 1 0 383.289 3.721 20 30 GHEDRO C[C@@](CO)([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC001460912727 1069269333 /nfs/dbraw/zinc/26/93/33/1069269333.db2.gz WJSAWZAUKQSCIA-SFHVURJKSA-N 1 0 378.697 3.951 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccc(Cl)cc1 ZINC001470663120 1072675130 /nfs/dbraw/zinc/67/51/30/1072675130.db2.gz OFQTZXPDUGAXOP-SFTDATJTSA-N 1 0 381.907 3.896 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCC2(C#N)CCCCC2)[NH+](C)C)cc1 ZINC001478756523 1078976984 /nfs/dbraw/zinc/97/69/84/1078976984.db2.gz LQCCJYMHUGPVCK-HXUWFJFHSA-N 1 0 386.540 3.850 20 30 GHEDRO C[C@H]1[C@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001478766280 1078980024 /nfs/dbraw/zinc/98/00/24/1078980024.db2.gz NRFLGSHBHJXGLS-PGRDOPGGSA-N 1 0 388.515 3.900 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1(C)C ZINC001471191651 1072959941 /nfs/dbraw/zinc/95/99/41/1072959941.db2.gz QSBAASDRVPJHQX-NRFANRHFSA-N 1 0 384.568 3.715 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001471556898 1073132770 /nfs/dbraw/zinc/13/27/70/1073132770.db2.gz JPLZRSCZBGCZMQ-LJQANCHMSA-N 1 0 396.441 3.573 20 30 GHEDRO CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[NH+](CC)CC)cc1 ZINC001546191539 1073400250 /nfs/dbraw/zinc/40/02/50/1073400250.db2.gz YRUVZWDWIRERJG-JOCHJYFZSA-N 1 0 398.530 3.681 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC001479089448 1079099616 /nfs/dbraw/zinc/09/96/16/1079099616.db2.gz VXJDAXWTAXTHPH-AEFFLSMTSA-N 1 0 383.323 3.931 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001479094758 1079100672 /nfs/dbraw/zinc/10/06/72/1079100672.db2.gz ZSOUODRRPYKXMU-RTWAWAEBSA-N 1 0 392.632 3.957 20 30 GHEDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(C(F)(F)F)cc(C#N)n1 ZINC001472702689 1073627387 /nfs/dbraw/zinc/62/73/87/1073627387.db2.gz JQVZVKJCCSDAMR-OAHLLOKOSA-N 1 0 389.425 3.595 20 30 GHEDRO C=C[C@@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473433739 1073961760 /nfs/dbraw/zinc/96/17/60/1073961760.db2.gz DJQSZJNQFVPSDC-XLIONFOSSA-N 1 0 375.944 3.634 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](Oc3ccccc3OC)C2)cc1 ZINC001473456281 1073973709 /nfs/dbraw/zinc/97/37/09/1073973709.db2.gz ZGKXHMXPYOQGMW-FQEVSTJZSA-N 1 0 378.472 3.549 20 30 GHEDRO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)C1 ZINC001473456300 1073973883 /nfs/dbraw/zinc/97/38/83/1073973883.db2.gz ZOVZOBXNBBBFRL-AZUAARDMSA-N 1 0 385.508 3.660 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC001473470177 1073981408 /nfs/dbraw/zinc/98/14/08/1073981408.db2.gz KSAAIHVUYWWZQI-UHFFFAOYSA-N 1 0 381.863 3.638 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001473628021 1074056848 /nfs/dbraw/zinc/05/68/48/1074056848.db2.gz XOVKXVQZDCNPDI-OAQYLSRUSA-N 1 0 383.580 3.742 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(OC)c(OC[C@@H](C)CC)cc2[N+](=O)[O-])CCOCC1 ZINC001473808490 1074154682 /nfs/dbraw/zinc/15/46/82/1074154682.db2.gz KBCMLMLMVBKXOX-INIZCTEOSA-N 1 0 390.480 3.690 20 30 GHEDRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)CC4(C#N)CCC4)CC3)c2c1 ZINC001473815376 1074157470 /nfs/dbraw/zinc/15/74/70/1074157470.db2.gz XROJXGZPINEZBN-SFHVURJKSA-N 1 0 395.503 3.579 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001473820456 1074159923 /nfs/dbraw/zinc/15/99/23/1074159923.db2.gz ALWUYTLTIVDPIM-PKOBYXMFSA-N 1 0 376.566 3.790 20 30 GHEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001473862415 1074179801 /nfs/dbraw/zinc/17/98/01/1074179801.db2.gz ZNCYIRGAFVQMAY-CYBMUJFWSA-N 1 0 383.414 3.667 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCN2CCN(c3ccccc3)CC2)cc1Cl ZINC001473924307 1074205893 /nfs/dbraw/zinc/20/58/93/1074205893.db2.gz QKMPCMFLTWTCLA-UHFFFAOYSA-N 1 0 385.939 3.817 20 30 GHEDRO CN(C)c1nc(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cs1 ZINC001473990729 1074227855 /nfs/dbraw/zinc/22/78/55/1074227855.db2.gz TVNQKXXOKWNSPF-UHFFFAOYSA-N 1 0 392.528 3.992 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@H+](C)CCNC(=O)OC(C)(C)C)cc1OC ZINC001474567069 1074465757 /nfs/dbraw/zinc/46/57/57/1074465757.db2.gz WTGWIQONBBBQTO-UHFFFAOYSA-N 1 0 384.904 3.870 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001493649253 1079285906 /nfs/dbraw/zinc/28/59/06/1079285906.db2.gz AMKYXPOEINWOID-QZTJIDSGSA-N 1 0 383.544 3.666 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC001474932683 1074638145 /nfs/dbraw/zinc/63/81/45/1074638145.db2.gz SXKJOZXEEPTJMV-UHFFFAOYSA-N 1 0 399.560 3.549 20 30 GHEDRO C=CCOc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001476034070 1075072139 /nfs/dbraw/zinc/07/21/39/1075072139.db2.gz XGGSPUIFNRDXIZ-NRFANRHFSA-N 1 0 382.508 3.742 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC001476151426 1075096160 /nfs/dbraw/zinc/09/61/60/1075096160.db2.gz ZJYZLZRBVRRHOA-JOCHJYFZSA-N 1 0 377.488 3.731 20 30 GHEDRO CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[NH+]1CCCC1 ZINC001495237319 1079394753 /nfs/dbraw/zinc/39/47/53/1079394753.db2.gz QYMWLBMVGZLBCV-SFHVURJKSA-N 1 0 392.551 3.928 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1 ZINC001496144132 1079458321 /nfs/dbraw/zinc/45/83/21/1079458321.db2.gz VHCYLODHPFEALZ-SFHVURJKSA-N 1 0 392.551 3.927 20 30 GHEDRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001497836732 1079518995 /nfs/dbraw/zinc/51/89/95/1079518995.db2.gz RLFRMSHSGZFTSM-ZWKOTPCHSA-N 1 0 380.540 3.588 20 30 GHEDRO CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001497913458 1079526232 /nfs/dbraw/zinc/52/62/32/1079526232.db2.gz PTKKHVXFBKICHH-VGOFRKELSA-N 1 0 398.530 3.680 20 30 GHEDRO CCC[N@H+](CC)CCn1c(N(C)Cc2ccc(C#N)cc2)nnc1C(C)(C)C ZINC001500795293 1079616214 /nfs/dbraw/zinc/61/62/14/1079616214.db2.gz YZSNBRQXYMYPQM-UHFFFAOYSA-N 1 0 382.556 3.816 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1)C(C)C ZINC000735419136 599206900 /nfs/dbraw/zinc/20/69/00/599206900.db2.gz PMKFPYRQUBOMKW-UHFFFAOYSA-N 1 0 393.491 3.851 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164623291 719046303 /nfs/dbraw/zinc/04/63/03/719046303.db2.gz MQEQITZYNNAWEY-VQIMIIECSA-N 1 0 388.849 3.735 20 30 GHEDRO N#Cc1cc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695262 719890673 /nfs/dbraw/zinc/89/06/73/719890673.db2.gz KIMMINCAGHTLRN-UHFFFAOYSA-N 1 0 388.924 3.540 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C#C[Si](C)(C)C)ccn1)[C@H]2C ZINC001164863651 721019435 /nfs/dbraw/zinc/01/94/35/721019435.db2.gz UOCFDZPTACQASO-SFHVURJKSA-N 1 0 395.627 3.928 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(F)cc3C#N)C[C@@H]21 ZINC001165019630 721800440 /nfs/dbraw/zinc/80/04/40/721800440.db2.gz DJFNQDOSLWDSEW-UCLAIMLFSA-N 1 0 399.901 3.878 20 30 GHEDRO Cc1cc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C ZINC001165028348 721808881 /nfs/dbraw/zinc/80/88/81/721808881.db2.gz XPJLNWZDUCANRZ-VLCRHTCISA-N 1 0 375.520 3.702 20 30 GHEDRO CN(CCC[NH+](C)C)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000613259388 837473177 /nfs/dbraw/zinc/47/31/77/837473177.db2.gz HWXAKZMLPLTYPN-UHFFFAOYSA-N 1 0 388.327 4.000 20 30 GHEDRO C[C@@H](C[N@@H+]([C@@H](C)CO)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000581209523 837482549 /nfs/dbraw/zinc/48/25/49/837482549.db2.gz WABZVGMASZRYNW-SFYKDHMMSA-N 1 0 391.515 3.540 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000668370169 837483318 /nfs/dbraw/zinc/48/33/18/837483318.db2.gz PEZSHINKPNXZKO-UHFFFAOYSA-N 1 0 385.733 3.802 20 30 GHEDRO N#Cc1ccc2ncc(CN3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)n2c1 ZINC000180735541 837505513 /nfs/dbraw/zinc/50/55/13/837505513.db2.gz OPDKVIPRHDNCTH-GGAORHGYSA-N 1 0 385.515 3.692 20 30 GHEDRO CC(C)[C@H](CO)[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000173413517 837706985 /nfs/dbraw/zinc/70/69/85/837706985.db2.gz LRVLODCWKANPPZ-FQEVSTJZSA-N 1 0 397.544 3.760 20 30 GHEDRO C[C@@H](CCO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000180980755 837754219 /nfs/dbraw/zinc/75/42/19/837754219.db2.gz OBEPEERTLSNEAI-INIZCTEOSA-N 1 0 397.544 3.710 20 30 GHEDRO C=CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000613366597 837766085 /nfs/dbraw/zinc/76/60/85/837766085.db2.gz BRCCRCAYCXZTHK-UHFFFAOYSA-N 1 0 377.532 3.587 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000579697281 834394467 /nfs/dbraw/zinc/39/44/67/834394467.db2.gz YDAJWAUQNCRNHA-AUSIDOKSSA-N 1 0 393.531 3.961 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000583456073 834405929 /nfs/dbraw/zinc/40/59/29/834405929.db2.gz OKJIYBUAGPVOOI-CYGODWOOSA-N 1 0 390.531 3.511 20 30 GHEDRO CN(C(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000579940663 837777144 /nfs/dbraw/zinc/77/71/44/837777144.db2.gz HDOWHPBEERJHCA-JOCHJYFZSA-N 1 0 391.490 3.852 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000430153482 834613558 /nfs/dbraw/zinc/61/35/58/834613558.db2.gz YIFYHWLOOFKWSP-IBGZPJMESA-N 1 0 395.341 3.550 20 30 GHEDRO CCOc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OC(F)F ZINC000430155899 834635077 /nfs/dbraw/zinc/63/50/77/834635077.db2.gz JMYKKXAEKGBOTG-INIZCTEOSA-N 1 0 389.402 3.607 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3ccc(C#N)cc3[N+](=O)[O-])C2)s1 ZINC000583567485 834652694 /nfs/dbraw/zinc/65/26/94/834652694.db2.gz AEPATKXFTLMKTL-KRWDZBQOSA-N 1 0 384.505 3.790 20 30 GHEDRO CC1(C)CC(NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CC(C)(C)C1 ZINC000262403034 834729331 /nfs/dbraw/zinc/72/93/31/834729331.db2.gz OAVJSKZPZCIFAO-MRXNPFEDSA-N 1 0 397.629 3.504 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@H]1c1nccn1CC)C(C)C ZINC000430177083 834784301 /nfs/dbraw/zinc/78/43/01/834784301.db2.gz HBWBFBXGRANVHD-VQTJNVASSA-N 1 0 387.572 3.838 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)nc1 ZINC000430183159 834834963 /nfs/dbraw/zinc/83/49/63/834834963.db2.gz BMZJLZCQDLXJLI-OAQYLSRUSA-N 1 0 386.455 3.581 20 30 GHEDRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000329332252 834850004 /nfs/dbraw/zinc/85/00/04/834850004.db2.gz WOBCKYGSOWKWFX-CRAIPNDOSA-N 1 0 375.538 3.862 20 30 GHEDRO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329338281 834865003 /nfs/dbraw/zinc/86/50/03/834865003.db2.gz YPCOMISJRFCNPN-CYBMUJFWSA-N 1 0 382.386 3.952 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(C(=O)N(CC)CC)CC1 ZINC000120232477 834958307 /nfs/dbraw/zinc/95/83/07/834958307.db2.gz ORPGRZVORSLACW-UHFFFAOYSA-N 1 0 386.565 3.852 20 30 GHEDRO COc1cccc(CC2(c3nc(-c4cc(F)cc(C#N)c4)no3)CC[NH2+]CC2)c1 ZINC001211496507 835028318 /nfs/dbraw/zinc/02/83/18/835028318.db2.gz IALPOVSWKZQOSW-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000186984013 835047448 /nfs/dbraw/zinc/04/74/48/835047448.db2.gz JPFDIDYXXSYLIY-UHFFFAOYSA-N 1 0 394.519 3.766 20 30 GHEDRO C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548811722 835052645 /nfs/dbraw/zinc/05/26/45/835052645.db2.gz GYNHYMJKLUNUKU-GHTZIAJQSA-N 1 0 388.515 3.757 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000611938450 835086368 /nfs/dbraw/zinc/08/63/68/835086368.db2.gz LKWAOKIAASKBRG-NRFANRHFSA-N 1 0 396.922 3.967 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433323896 844016327 /nfs/dbraw/zinc/01/63/27/844016327.db2.gz ZVTDIXYZLDDFRF-HXUWFJFHSA-N 1 0 383.879 3.644 20 30 GHEDRO Cc1cccc2c1ncc(C#N)c2N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000610211206 835125993 /nfs/dbraw/zinc/12/59/93/835125993.db2.gz DMQOFHDBFYPBQM-UHFFFAOYSA-N 1 0 381.483 3.999 20 30 GHEDRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)CC(C)(C)C#N)cc1Br ZINC000926537443 835204612 /nfs/dbraw/zinc/20/46/12/835204612.db2.gz KCFHACOASAVQHL-ZFWWWQNUSA-N 1 0 383.330 3.527 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157665777 835332008 /nfs/dbraw/zinc/33/20/08/835332008.db2.gz JFSKESWRYYTLAZ-RTBURBONSA-N 1 0 383.536 3.829 20 30 GHEDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278543728 835356673 /nfs/dbraw/zinc/35/66/73/835356673.db2.gz AJMZEXYNFJHVQH-IIBYNOLFSA-N 1 0 393.466 3.600 20 30 GHEDRO N#C[C@H](CCc1ccccc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000433356832 844049425 /nfs/dbraw/zinc/04/94/25/844049425.db2.gz VJBVLTDZZACLLK-DEOSSOPVSA-N 1 0 389.543 3.926 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000255642986 835433674 /nfs/dbraw/zinc/43/36/74/835433674.db2.gz WSODVRLTYZNRPR-QFIPXVFZSA-N 1 0 395.503 3.633 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@](C)(C#N)C3)cc2)C1 ZINC000612107898 835501199 /nfs/dbraw/zinc/50/11/99/835501199.db2.gz VDBWYYZJIBAVDK-PWHSHALESA-N 1 0 382.552 4.000 20 30 GHEDRO Cc1csc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N ZINC000584061590 835529225 /nfs/dbraw/zinc/52/92/25/835529225.db2.gz PHGDWTFIGRPXCJ-HZPDHXFCSA-N 1 0 390.553 3.671 20 30 GHEDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000151589387 835562525 /nfs/dbraw/zinc/56/25/25/835562525.db2.gz JCJSKAWJSSGCDH-GOSISDBHSA-N 1 0 394.494 3.984 20 30 GHEDRO CCN(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccc(C)c1 ZINC000278626202 835576777 /nfs/dbraw/zinc/57/67/77/835576777.db2.gz KEQXWJUUZKKJHL-UHFFFAOYSA-N 1 0 388.519 3.783 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000512527753 844069118 /nfs/dbraw/zinc/06/91/18/844069118.db2.gz XGXVOTWIWKMGAL-KRWDZBQOSA-N 1 0 386.565 3.877 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611804969 835649027 /nfs/dbraw/zinc/64/90/27/835649027.db2.gz QSQZWGACCFOHML-HXOBKFHXSA-N 1 0 389.499 3.513 20 30 GHEDRO CCCCOc1ncccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278653757 835717439 /nfs/dbraw/zinc/71/74/39/835717439.db2.gz MOVOOPIBTCZSRN-UHFFFAOYSA-N 1 0 390.491 3.722 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278670735 835754394 /nfs/dbraw/zinc/75/43/94/835754394.db2.gz OBDKXZWRMFIWMI-OAQYLSRUSA-N 1 0 386.503 3.617 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+](C)C3(CCCCC3)C2)c1 ZINC000584239720 835799074 /nfs/dbraw/zinc/79/90/74/835799074.db2.gz KDJSQQGROOOGLC-NRFANRHFSA-N 1 0 396.579 3.889 20 30 GHEDRO N#Cc1cc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)nc2ccc([N+](=O)[O-])cc12 ZINC001167089415 835811919 /nfs/dbraw/zinc/81/19/19/835811919.db2.gz UWSOAZVMRHRHNW-UHFFFAOYSA-N 1 0 387.374 3.743 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584320639 835875353 /nfs/dbraw/zinc/87/53/53/835875353.db2.gz FIYJLYNVRRYFIF-VQTJNVASSA-N 1 0 390.487 3.553 20 30 GHEDRO N#CCOc1cccc(CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000134690639 835903381 /nfs/dbraw/zinc/90/33/81/835903381.db2.gz VAKNJJLQUBQGDU-OAQYLSRUSA-N 1 0 397.906 3.738 20 30 GHEDRO N#Cc1ccc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1Cl ZINC000413590695 835903908 /nfs/dbraw/zinc/90/39/08/835903908.db2.gz YWRKDWRNNZXTEB-UHFFFAOYSA-N 1 0 382.895 3.521 20 30 GHEDRO C=CCOc1ccccc1-c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000685287602 835921038 /nfs/dbraw/zinc/92/10/38/835921038.db2.gz NHGDDFSBIZCOKH-UHFFFAOYSA-N 1 0 391.475 3.505 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000547748908 836012945 /nfs/dbraw/zinc/01/29/45/836012945.db2.gz XANNBRUUNCPCCQ-IBGZPJMESA-N 1 0 378.476 3.596 20 30 GHEDRO N#Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC000612357811 836112940 /nfs/dbraw/zinc/11/29/40/836112940.db2.gz IWCLFSYUOUKKEQ-WSTZPKSXSA-N 1 0 394.906 3.637 20 30 GHEDRO C=CCc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc(OC)c1OC ZINC000177256145 836197407 /nfs/dbraw/zinc/19/74/07/836197407.db2.gz HXWLYZVMCJMKBI-UHFFFAOYSA-N 1 0 386.536 3.959 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000610246218 836250940 /nfs/dbraw/zinc/25/09/40/836250940.db2.gz QYOXJWDVQCQWMF-UHFFFAOYSA-N 1 0 378.426 3.667 20 30 GHEDRO COCc1c2ccccc2oc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930963 836252903 /nfs/dbraw/zinc/25/29/03/836252903.db2.gz HJKTXPIGTBJZJM-UHFFFAOYSA-N 1 0 391.471 3.655 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000065930814 836256291 /nfs/dbraw/zinc/25/62/91/836256291.db2.gz VRZRGGAVJMHKOD-UHFFFAOYSA-N 1 0 375.394 3.781 20 30 GHEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000613389829 836271244 /nfs/dbraw/zinc/27/12/44/836271244.db2.gz UDFZQTCPIVWRDU-BEFAXECRSA-N 1 0 397.544 3.581 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000612563912 836410402 /nfs/dbraw/zinc/41/04/02/836410402.db2.gz UQJAVJRASZKAHS-INIZCTEOSA-N 1 0 393.491 3.940 20 30 GHEDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1)c1ccccc1 ZINC000430306764 836410714 /nfs/dbraw/zinc/41/07/14/836410714.db2.gz ZBUVLBIPYUMCMF-MRXNPFEDSA-N 1 0 398.304 3.806 20 30 GHEDRO CC(C)[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCOCC1 ZINC000236705384 836446606 /nfs/dbraw/zinc/44/66/06/836446606.db2.gz GKXPQHVZSLIBFU-XMMPIXPASA-N 1 0 393.531 3.584 20 30 GHEDRO C=CCCCCCCC[N@@H+]1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001209439780 836559954 /nfs/dbraw/zinc/55/99/54/836559954.db2.gz YZTLYEDJHJTYPZ-WDSOQIARSA-N 1 0 377.554 3.631 20 30 GHEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000180198332 836638491 /nfs/dbraw/zinc/63/84/91/836638491.db2.gz OJALYBOGPNHPPY-UHFFFAOYSA-N 1 0 395.956 3.533 20 30 GHEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccc(C#Cc3cccs3)c2)CCCO1 ZINC000683363047 836658580 /nfs/dbraw/zinc/65/85/80/836658580.db2.gz GIUBTZPBAMJGBD-GOSISDBHSA-N 1 0 397.544 3.770 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C#N ZINC000247096590 836799763 /nfs/dbraw/zinc/79/97/63/836799763.db2.gz XSTJPUISURXGIV-OXJNMPFZSA-N 1 0 399.583 3.835 20 30 GHEDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180258500 836882040 /nfs/dbraw/zinc/88/20/40/836882040.db2.gz KGELGJMMAQZZMA-MRXNPFEDSA-N 1 0 376.460 3.524 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001167205874 836903524 /nfs/dbraw/zinc/90/35/24/836903524.db2.gz MOXNJKYJAPPXGM-YKSBVNFPSA-N 1 0 384.458 3.737 20 30 GHEDRO Cn1cc(CNC2CC[NH+](C3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180275997 836950118 /nfs/dbraw/zinc/95/01/18/836950118.db2.gz CVEDTWPCLFPGEM-UHFFFAOYSA-N 1 0 377.536 3.845 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2noc(-c3cc4ccccc4n3CC#N)n2)c1 ZINC000612932311 836974921 /nfs/dbraw/zinc/97/49/21/836974921.db2.gz NVYHIGXZSXADSO-UHFFFAOYSA-N 1 0 387.443 3.822 20 30 GHEDRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3)o2)CC1 ZINC000892603126 836976317 /nfs/dbraw/zinc/97/63/17/836976317.db2.gz IYWBABKHWKZZKC-UHFFFAOYSA-N 1 0 395.503 3.999 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C)cc1 ZINC000027327002 837043484 /nfs/dbraw/zinc/04/34/84/837043484.db2.gz BWDKBCCYYZLNMI-UHFFFAOYSA-O 1 0 386.497 3.828 20 30 GHEDRO N#CC1(F)CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000510945709 844229568 /nfs/dbraw/zinc/22/95/68/844229568.db2.gz JLFXOQQWYZTJQM-UHFFFAOYSA-N 1 0 381.451 3.922 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CC1 ZINC000175928672 837067526 /nfs/dbraw/zinc/06/75/26/837067526.db2.gz USIGZSJLJGVTNJ-UHFFFAOYSA-N 1 0 396.579 3.766 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(SCC#N)c1 ZINC000176028415 837138879 /nfs/dbraw/zinc/13/88/79/837138879.db2.gz OCWDDAHYROVATG-HXUWFJFHSA-N 1 0 394.544 3.824 20 30 GHEDRO Cn1cc(C[NH2+]CCOCc2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180348410 837168885 /nfs/dbraw/zinc/16/88/85/837168885.db2.gz BPVHBLCTYLQWPM-UHFFFAOYSA-N 1 0 380.879 3.919 20 30 GHEDRO COC(=O)c1cnc([C@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000414067007 837343649 /nfs/dbraw/zinc/34/36/49/837343649.db2.gz AFVBJSDLANXYOX-JEYLPNPQSA-N 1 0 385.489 3.842 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180572351 837355485 /nfs/dbraw/zinc/35/54/85/837355485.db2.gz KWCQYPHMFLXZJM-FUHWJXTLSA-N 1 0 382.357 3.720 20 30 GHEDRO COc1cccc([C@@H](C)CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000177261757 837897651 /nfs/dbraw/zinc/89/76/51/837897651.db2.gz FWMJBZGMLJIGNG-SFHVURJKSA-N 1 0 379.504 3.651 20 30 GHEDRO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c(C#N)cc1N(C)C ZINC000415704342 838005518 /nfs/dbraw/zinc/00/55/18/838005518.db2.gz JZIRQCGLZKSYOB-HUUCEWRRSA-N 1 0 396.457 3.780 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)n(-c2ccc(C#N)cc2)n1 ZINC000415709232 838012697 /nfs/dbraw/zinc/01/26/97/838012697.db2.gz YATFNQCEXWDYSX-KRWDZBQOSA-N 1 0 394.523 3.695 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NCCC[C@H]2CCC[NH2+]2)n(-c2ccc(C#N)cc2)n1 ZINC000415709233 838013181 /nfs/dbraw/zinc/01/31/81/838013181.db2.gz YATFNQCEXWDYSX-QGZVFWFLSA-N 1 0 394.523 3.695 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000510299008 838028911 /nfs/dbraw/zinc/02/89/11/838028911.db2.gz OPGNPBSAXFGSOX-QGZVFWFLSA-N 1 0 379.504 3.855 20 30 GHEDRO C#Cc1cccc(NC(=O)NCc2ccc(OCC[NH+](CC)CC)c(OC)c2)c1 ZINC000047399801 844290131 /nfs/dbraw/zinc/29/01/31/844290131.db2.gz IKQAJQZZWNZOFM-UHFFFAOYSA-N 1 0 395.503 3.719 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000415806592 838122989 /nfs/dbraw/zinc/12/29/89/838122989.db2.gz PEKRGHGACHEMNA-SWLSCSKDSA-N 1 0 382.302 3.748 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C\c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000255126232 838142014 /nfs/dbraw/zinc/14/20/14/838142014.db2.gz ZECKVPLMASFIJU-JTGQJZMRSA-N 1 0 384.520 3.579 20 30 GHEDRO CON=Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000255127274 838148270 /nfs/dbraw/zinc/14/82/70/838148270.db2.gz NTRBNYADMZZKTC-PKTZIBPZSA-N 1 0 391.515 3.794 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1Cl ZINC000547976175 838165878 /nfs/dbraw/zinc/16/58/78/838165878.db2.gz DLAGRNDEFIBGCO-UHFFFAOYSA-N 1 0 379.891 3.875 20 30 GHEDRO CCNC(=O)COc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000271079203 838173929 /nfs/dbraw/zinc/17/39/29/838173929.db2.gz QDRBCNUCORMFMM-UHFFFAOYSA-N 1 0 391.515 3.695 20 30 GHEDRO C=CCC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000655920863 838218126 /nfs/dbraw/zinc/21/81/26/838218126.db2.gz LIPXUEHFYQTKKK-QWHCGFSZSA-N 1 0 383.336 3.902 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610321234 838418717 /nfs/dbraw/zinc/41/87/17/838418717.db2.gz MJFGUUODNOVGHJ-QGZVFWFLSA-N 1 0 379.464 3.551 20 30 GHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000188065138 838513636 /nfs/dbraw/zinc/51/36/36/838513636.db2.gz OGFNHCCADFAZBY-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659585942 838518850 /nfs/dbraw/zinc/51/88/50/838518850.db2.gz RLXBXVYKISEBKK-FGZHOGPDSA-N 1 0 397.494 3.678 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000610335299 838527277 /nfs/dbraw/zinc/52/72/77/838527277.db2.gz SEJNFZZYWFAXFH-VGSWGCGISA-N 1 0 392.503 3.764 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659625305 838544986 /nfs/dbraw/zinc/54/49/86/838544986.db2.gz QYYFANQRARCCSV-MRXNPFEDSA-N 1 0 386.309 3.659 20 30 GHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610343582 838571573 /nfs/dbraw/zinc/57/15/73/838571573.db2.gz LSZLMPRYHOJBBD-HOTGVXAUSA-N 1 0 379.460 3.801 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000275745892 838649649 /nfs/dbraw/zinc/64/96/49/838649649.db2.gz RWJHGJLBFSJAHO-HNNXBMFYSA-N 1 0 396.516 3.720 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000062205171 838692208 /nfs/dbraw/zinc/69/22/08/838692208.db2.gz BOFGRWRXJGKDKQ-QGZVFWFLSA-N 1 0 398.334 3.747 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000893195054 838784109 /nfs/dbraw/zinc/78/41/09/838784109.db2.gz QZHOTRLENNVCSD-FQEVSTJZSA-N 1 0 389.499 3.893 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)o2)c1 ZINC000580106701 838878611 /nfs/dbraw/zinc/87/86/11/838878611.db2.gz FCIIPGKGXVETTJ-HKBOAZHASA-N 1 0 386.455 3.613 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000580105911 838880361 /nfs/dbraw/zinc/88/03/61/838880361.db2.gz ZMZZMPJJTOSUCH-QXAKKESOSA-N 1 0 383.517 3.889 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000029778070 838896343 /nfs/dbraw/zinc/89/63/43/838896343.db2.gz UEIYGMRCQRMYNF-SFHVURJKSA-N 1 0 377.488 3.628 20 30 GHEDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000414950159 839012589 /nfs/dbraw/zinc/01/25/89/839012589.db2.gz HINNJXOIJMYANI-QFIPXVFZSA-N 1 0 393.491 3.696 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)sc2c1CCCC2 ZINC000580248581 839119197 /nfs/dbraw/zinc/11/91/97/839119197.db2.gz OOLLEDGLAXWHBT-YLJYHZDGSA-N 1 0 399.560 3.861 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000458173937 844403085 /nfs/dbraw/zinc/40/30/85/844403085.db2.gz SAJQJVCEXNQSDB-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000610408154 839134530 /nfs/dbraw/zinc/13/45/30/839134530.db2.gz KXOPDYIKOGXFRC-HNNXBMFYSA-N 1 0 386.446 3.671 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000415077886 839167589 /nfs/dbraw/zinc/16/75/89/839167589.db2.gz FVDYYWCOQKJJAJ-OAQYLSRUSA-N 1 0 380.448 3.608 20 30 GHEDRO N#CC1(NC(=O)[C@H]2SCCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378484382 839207131 /nfs/dbraw/zinc/20/71/31/839207131.db2.gz UWROPEPFDUFCPY-NRFANRHFSA-N 1 0 391.540 3.692 20 30 GHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000415113226 839222206 /nfs/dbraw/zinc/22/22/06/839222206.db2.gz BRKVCNMXTLAQPG-LJQANCHMSA-N 1 0 378.476 3.661 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415116296 839227041 /nfs/dbraw/zinc/22/70/41/839227041.db2.gz FIJAJRTYGKEFPH-UHFFFAOYSA-N 1 0 378.476 3.839 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1C ZINC000378504279 839244892 /nfs/dbraw/zinc/24/48/92/839244892.db2.gz OXESSLWLEWAJIE-QPPBQGQZSA-N 1 0 391.515 3.918 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415123431 839245093 /nfs/dbraw/zinc/24/50/93/839245093.db2.gz MUPJPHRKSLLTTI-LJQANCHMSA-N 1 0 378.476 3.709 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000415156857 839298705 /nfs/dbraw/zinc/29/87/05/839298705.db2.gz GXPLTZFGINUWHS-UONOGXRCSA-N 1 0 382.489 3.678 20 30 GHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H]1C[NH3+] ZINC000415239448 839456618 /nfs/dbraw/zinc/45/66/18/839456618.db2.gz OLOLDDMSOVSVHU-HOCLYGCPSA-N 1 0 382.439 3.938 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000584575806 839488307 /nfs/dbraw/zinc/48/83/07/839488307.db2.gz XPSCOBDLPGXHHO-OAHLLOKOSA-N 1 0 394.313 3.716 20 30 GHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000580418855 839531087 /nfs/dbraw/zinc/53/10/87/839531087.db2.gz ATQWOCWFBCVEEG-UHFFFAOYSA-N 1 0 399.292 3.879 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)ccc1OC ZINC000363920601 839565932 /nfs/dbraw/zinc/56/59/32/839565932.db2.gz BMXJCORSWHYPSZ-CEXWTWQISA-N 1 0 382.508 3.926 20 30 GHEDRO C=C(C)Cn1c(COCC)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000549249866 839578244 /nfs/dbraw/zinc/57/82/44/839578244.db2.gz MFEQGAVKKJCIHU-NRFANRHFSA-N 1 0 397.567 3.882 20 30 GHEDRO C#CCCCc1nnc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1CC(=C)C ZINC000909322707 839584008 /nfs/dbraw/zinc/58/40/08/839584008.db2.gz FZCLZUQJAWKNLL-UHFFFAOYSA-N 1 0 397.489 3.663 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000129244455 844452052 /nfs/dbraw/zinc/45/20/52/844452052.db2.gz DOJYZUODCXTJAC-UHFFFAOYSA-N 1 0 377.488 3.628 20 30 GHEDRO CN(C)C(=O)c1ccnc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000328602352 839720258 /nfs/dbraw/zinc/72/02/58/839720258.db2.gz BHCSOTRSMYZOFP-AUSIDOKSSA-N 1 0 392.503 3.674 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000549272183 839734596 /nfs/dbraw/zinc/73/45/96/839734596.db2.gz AAGYONMUQIIWNI-OAQYLSRUSA-N 1 0 392.551 3.703 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000579767356 839968337 /nfs/dbraw/zinc/96/83/37/839968337.db2.gz DWQVEOFUVLZSTL-QGZVFWFLSA-N 1 0 385.414 3.663 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000047986698 840000906 /nfs/dbraw/zinc/00/09/06/840000906.db2.gz IECAPJNCWMHUQE-JTSKRJEESA-N 1 0 392.503 3.764 20 30 GHEDRO COc1c[nH+]ccc1Nc1c(Br)cc(Br)cc1C#N ZINC001211263350 840016265 /nfs/dbraw/zinc/01/62/65/840016265.db2.gz MOIOPSZLNLSSMW-UHFFFAOYSA-N 1 0 383.043 3.652 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000247290951 840090478 /nfs/dbraw/zinc/09/04/78/840090478.db2.gz HKNJABSPAGSFRK-CYGODWOOSA-N 1 0 393.556 3.923 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000068885307 840206190 /nfs/dbraw/zinc/20/61/90/840206190.db2.gz LBTDIHRBWNSDAQ-JOCHJYFZSA-N 1 0 376.504 3.867 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(Cl)s1 ZINC000047143712 840244764 /nfs/dbraw/zinc/24/47/64/840244764.db2.gz UWQSYLBVTRRPQX-UHFFFAOYSA-N 1 0 390.940 3.589 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000066853942 840269172 /nfs/dbraw/zinc/26/91/72/840269172.db2.gz VMPAARXCUPKWQT-KRWDZBQOSA-N 1 0 396.535 3.687 20 30 GHEDRO Cc1ccccc1CCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167740757 840349986 /nfs/dbraw/zinc/34/99/86/840349986.db2.gz OBFLYRQQSKEAGJ-UHFFFAOYSA-N 1 0 376.460 3.870 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000511681159 840507337 /nfs/dbraw/zinc/50/73/37/840507337.db2.gz NWGWLAOXUWDCII-NRFANRHFSA-N 1 0 394.494 3.797 20 30 GHEDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccc1OC(F)(F)F ZINC000160738145 840608767 /nfs/dbraw/zinc/60/87/67/840608767.db2.gz CNVPTGKDSDOFID-UHFFFAOYSA-N 1 0 376.382 3.888 20 30 GHEDRO CCc1nc(CN2CCC(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)cs1 ZINC000111397458 840616320 /nfs/dbraw/zinc/61/63/20/840616320.db2.gz XURHMHZDCSVFSW-QGZVFWFLSA-N 1 0 398.576 3.998 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000584710590 840633911 /nfs/dbraw/zinc/63/39/11/840633911.db2.gz FHHAZNQXUPBYTO-NQIIRXRSSA-N 1 0 379.552 3.906 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000584715031 840651171 /nfs/dbraw/zinc/65/11/71/840651171.db2.gz BUNWPWYWCXTTEB-UHFFFAOYSA-N 1 0 388.920 3.697 20 30 GHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H]1[NH+]1CCCC1 ZINC000561306862 840657176 /nfs/dbraw/zinc/65/71/76/840657176.db2.gz TZHFGEGVECEUPS-CABCVRRESA-N 1 0 392.450 3.540 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511770231 840696615 /nfs/dbraw/zinc/69/66/15/840696615.db2.gz SJJWEYGTANJLJZ-XMSQKQJNSA-N 1 0 391.515 3.742 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1C#N ZINC000128212465 840704712 /nfs/dbraw/zinc/70/47/12/840704712.db2.gz IWVZRCOEWULANU-UHFFFAOYSA-N 1 0 383.839 3.599 20 30 GHEDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000512564689 844570778 /nfs/dbraw/zinc/57/07/78/844570778.db2.gz LXKATSWYXVRDOT-NRFANRHFSA-N 1 0 391.515 3.875 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000048270376 840788239 /nfs/dbraw/zinc/78/82/39/840788239.db2.gz VBLSSBHVSIGHKU-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417378320 840790695 /nfs/dbraw/zinc/79/06/95/840790695.db2.gz FCEPMQNUZBRJOR-FOIQADDNSA-N 1 0 393.487 3.960 20 30 GHEDRO N#Cc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000511803240 840811930 /nfs/dbraw/zinc/81/19/30/840811930.db2.gz XNWRNHSZPKZTGR-LOSJGSFVSA-N 1 0 395.506 3.885 20 30 GHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000584794147 840877865 /nfs/dbraw/zinc/87/78/65/840877865.db2.gz INPWYGDVXYXHFT-UHFFFAOYSA-N 1 0 378.524 3.559 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000581357490 841161549 /nfs/dbraw/zinc/16/15/49/841161549.db2.gz BCGXFEORQQWBAA-MSOLQXFVSA-N 1 0 376.460 3.732 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000925621193 841197291 /nfs/dbraw/zinc/19/72/91/841197291.db2.gz FZKNPBUPCGTFPK-IAGOWNOFSA-N 1 0 379.545 3.853 20 30 GHEDRO N#CCC[C@@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000417917108 841271331 /nfs/dbraw/zinc/27/13/31/841271331.db2.gz NXDYDDMVYUSONH-PWRODBHTSA-N 1 0 380.467 3.697 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc(OC)c1O ZINC000124033740 841351903 /nfs/dbraw/zinc/35/19/03/841351903.db2.gz PMWSXHCHVJLYAI-UHFFFAOYSA-N 1 0 381.472 3.930 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)C2CC[NH+](CC)CC2)cc1OC ZINC000125245401 841367196 /nfs/dbraw/zinc/36/71/96/841367196.db2.gz IYSZQDOHJDXNNX-UHFFFAOYSA-N 1 0 397.357 3.939 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc2c(c1)CCCC2 ZINC000027318371 841380333 /nfs/dbraw/zinc/38/03/33/841380333.db2.gz OXSCZYSYBTYTGS-UHFFFAOYSA-O 1 0 383.537 3.800 20 30 GHEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000605408483 841398149 /nfs/dbraw/zinc/39/81/49/841398149.db2.gz RNTOQODNPSEKLJ-HXUWFJFHSA-N 1 0 397.544 3.722 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000661114853 841408995 /nfs/dbraw/zinc/40/89/95/841408995.db2.gz NIODYPKYMFVUGV-NVXWUHKLSA-N 1 0 376.497 3.766 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCc3ccc(-c4ccccc4)cc3C2)CCOCC1 ZINC000599431093 861202951 /nfs/dbraw/zinc/20/29/51/861202951.db2.gz QJBURARLWXHVLF-QHCPKHFHSA-N 1 0 376.500 3.783 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)Nc3ccn(CCC#N)n3)c2)CC1 ZINC000276232922 841470964 /nfs/dbraw/zinc/47/09/64/841470964.db2.gz SEZOLCPRIGTLKM-UHFFFAOYSA-N 1 0 380.496 3.715 20 30 GHEDRO COC(=O)c1ccc(COc2ccc(C[NH+]3CCC(CC#N)CC3)cc2OC)o1 ZINC000548176436 841481257 /nfs/dbraw/zinc/48/12/57/841481257.db2.gz KZROEVNRLSJAEM-UHFFFAOYSA-N 1 0 398.459 3.779 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000329256288 861210288 /nfs/dbraw/zinc/21/02/88/861210288.db2.gz BNBKLKILJJNRDD-YQQAZPJKSA-N 1 0 375.517 3.651 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000329265382 861220661 /nfs/dbraw/zinc/22/06/61/861220661.db2.gz CGAGJYXNGRNMDM-LJQANCHMSA-N 1 0 393.940 3.957 20 30 GHEDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418147187 841569020 /nfs/dbraw/zinc/56/90/20/841569020.db2.gz QNOKXIBGGBCGBE-QGZVFWFLSA-N 1 0 378.398 3.709 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000661416199 841724381 /nfs/dbraw/zinc/72/43/81/841724381.db2.gz WUGMDZTZDRMKSY-RBBKRZOGSA-N 1 0 385.552 3.577 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489818959 861252742 /nfs/dbraw/zinc/25/27/42/861252742.db2.gz OXVLTXMNOCBFQQ-YLJYHZDGSA-N 1 0 392.503 3.989 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000066905358 842145387 /nfs/dbraw/zinc/14/53/87/842145387.db2.gz DWRMGQCLBKMJQE-UHFFFAOYSA-N 1 0 377.488 3.629 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1ccccc1Br ZINC000125929808 842157594 /nfs/dbraw/zinc/15/75/94/842157594.db2.gz DVWVZHLXSIJCRQ-AEFFLSMTSA-N 1 0 378.314 3.640 20 30 GHEDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000661784538 842168783 /nfs/dbraw/zinc/16/87/83/842168783.db2.gz QHWWCMVTFKVLLZ-HKUYNNGSSA-N 1 0 377.410 3.671 20 30 GHEDRO C=CCC1([NH2+]CC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CCCC1 ZINC000661848126 842232794 /nfs/dbraw/zinc/23/27/94/842232794.db2.gz AZTXUTXZSBGODB-UHFFFAOYSA-N 1 0 380.536 3.643 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000730795289 861287381 /nfs/dbraw/zinc/28/73/81/861287381.db2.gz XUAWPNFKKYIGHE-NRFANRHFSA-N 1 0 376.504 3.666 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCCC[C@@H]2CCO)c1C#N ZINC000585754838 842261879 /nfs/dbraw/zinc/26/18/79/842261879.db2.gz FISCHYHLAMLHLW-LJQANCHMSA-N 1 0 394.519 3.531 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526115 861310740 /nfs/dbraw/zinc/31/07/40/861310740.db2.gz FCANLFQITIXJPB-ZBFHGGJFSA-N 1 0 383.355 3.916 20 30 GHEDRO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)c1 ZINC000247316565 842659708 /nfs/dbraw/zinc/65/97/08/842659708.db2.gz WPXAXLCDJJMBGE-PXNSSMCTSA-N 1 0 375.513 3.510 20 30 GHEDRO N#CCC1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511966502 843022082 /nfs/dbraw/zinc/02/20/82/843022082.db2.gz ZNFIWUPIOWXBDP-FCHUYYIVSA-N 1 0 388.515 3.648 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000328949948 843096759 /nfs/dbraw/zinc/09/67/59/843096759.db2.gz LCDHCLKADCRKCV-KRWDZBQOSA-N 1 0 387.553 3.739 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)ccc1OC ZINC000178615144 861388564 /nfs/dbraw/zinc/38/85/64/861388564.db2.gz AZKQDWQQXYPQHK-UHFFFAOYSA-N 1 0 396.535 3.816 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(NC([O-])=[NH+]c2ccccc2)s1 ZINC000329413125 861389547 /nfs/dbraw/zinc/38/95/47/861389547.db2.gz CNIAODYSDKNLNN-HZPDHXFCSA-N 1 0 384.505 3.762 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000610614176 843297816 /nfs/dbraw/zinc/29/78/16/843297816.db2.gz DHUSKXJBUMVVDZ-STQMWFEESA-N 1 0 379.304 3.559 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138607790 861411010 /nfs/dbraw/zinc/41/10/10/861411010.db2.gz DCZKKBUKEVXMLY-MRXNPFEDSA-N 1 0 381.501 3.513 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)C[C@@H]1C ZINC000329435700 861421680 /nfs/dbraw/zinc/42/16/80/861421680.db2.gz LPFJIXVZOVTJGO-WCQYABFASA-N 1 0 380.876 3.671 20 30 GHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000418649682 843502041 /nfs/dbraw/zinc/50/20/41/843502041.db2.gz JLCGBNUJNFCHOH-YPAWHYETSA-N 1 0 376.504 3.730 20 30 GHEDRO C[C@H](NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccc(Cl)cc1 ZINC000599632954 861423689 /nfs/dbraw/zinc/42/36/89/861423689.db2.gz VMTHOFNUELOILA-INIZCTEOSA-N 1 0 397.906 3.684 20 30 GHEDRO C=CC[C@]1(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)CCC[NH2+]1 ZINC000662674110 843506537 /nfs/dbraw/zinc/50/65/37/843506537.db2.gz VNCUTRJLZDDRMI-OAQYLSRUSA-N 1 0 399.926 3.962 20 30 GHEDRO CC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000128703580 843596276 /nfs/dbraw/zinc/59/62/76/843596276.db2.gz PSWCSOQJMHNAHU-HXUWFJFHSA-N 1 0 387.487 3.636 20 30 GHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610717695 843678730 /nfs/dbraw/zinc/67/87/30/843678730.db2.gz HGVTYQDCJYSRRF-KRWDZBQOSA-N 1 0 379.464 3.741 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599651227 861449346 /nfs/dbraw/zinc/44/93/46/861449346.db2.gz DQTSHJYBRKIBMO-IJEWVQPXSA-N 1 0 390.325 3.578 20 30 GHEDRO Cc1cc(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000603963571 861457236 /nfs/dbraw/zinc/45/72/36/861457236.db2.gz RHPIYSKWCIZZIY-QGZVFWFLSA-N 1 0 399.922 3.878 20 30 GHEDRO N#Cc1cccc(F)c1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000509815011 843852459 /nfs/dbraw/zinc/85/24/59/843852459.db2.gz XKNVRCWQEONVNP-UHFFFAOYSA-N 1 0 379.479 3.932 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)c(F)c1 ZINC000512838245 843872706 /nfs/dbraw/zinc/87/27/06/843872706.db2.gz CFHZFSFUUROAMQ-UHFFFAOYSA-N 1 0 385.414 3.708 20 30 GHEDRO CCOc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1OC ZINC000236895372 843879963 /nfs/dbraw/zinc/87/99/63/843879963.db2.gz GQPTVIVFDHURDZ-GOSISDBHSA-N 1 0 383.467 3.863 20 30 GHEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2csc3ccccc23)=[NH+]C)C1 ZINC000261673138 843915823 /nfs/dbraw/zinc/91/58/23/843915823.db2.gz GYUZJYVLUZBHHZ-RVFQGNMQSA-N 1 0 377.579 3.646 20 30 GHEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000411893620 843921045 /nfs/dbraw/zinc/92/10/45/843921045.db2.gz OAIQRDFYZXKNEG-LYLBAIIYSA-N 1 0 395.528 3.779 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000731112762 861473290 /nfs/dbraw/zinc/47/32/90/861473290.db2.gz NXTCSBRTRHVMBQ-UHFFFAOYSA-N 1 0 377.488 3.793 20 30 GHEDRO CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000433301832 843990803 /nfs/dbraw/zinc/99/08/03/843990803.db2.gz GQLLYZJZNSZSDB-OAHLLOKOSA-N 1 0 395.406 3.756 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCCOC2)O1 ZINC000573749012 844673930 /nfs/dbraw/zinc/67/39/30/844673930.db2.gz ZOCHOFQLHSSDIG-YADARESESA-N 1 0 392.499 3.907 20 30 GHEDRO C[C@H]1C[C@H]1c1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000047011383 844680132 /nfs/dbraw/zinc/68/01/32/844680132.db2.gz BVJGTIQPXWNEBR-LAUBAEHRSA-N 1 0 379.504 3.798 20 30 GHEDRO CCc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010277 844680331 /nfs/dbraw/zinc/68/03/31/844680331.db2.gz GMRWCVCIZYGVAP-UHFFFAOYSA-N 1 0 391.515 3.674 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1OC ZINC000277130320 844712432 /nfs/dbraw/zinc/71/24/32/844712432.db2.gz ZVQLRXXRABTFRG-UHFFFAOYSA-N 1 0 395.908 3.607 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC001211531330 844732057 /nfs/dbraw/zinc/73/20/57/844732057.db2.gz RWPHYEHUVXSZBS-HXUWFJFHSA-N 1 0 378.582 3.961 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(c3nccs3)CC2)C1 ZINC000329475002 861498200 /nfs/dbraw/zinc/49/82/00/861498200.db2.gz SYKCCTBKGITIOX-MRXNPFEDSA-N 1 0 393.601 3.516 20 30 GHEDRO CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1CC(C)C ZINC000512626587 844804209 /nfs/dbraw/zinc/80/42/09/844804209.db2.gz VKRCYQLCFLYLIO-AWEZNQCLSA-N 1 0 375.517 3.950 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](n4ccnc4)C3)sc2C1 ZINC000610944801 844876544 /nfs/dbraw/zinc/87/65/44/844876544.db2.gz BFXMNLNHNSVUDD-HOTGVXAUSA-N 1 0 397.548 3.607 20 30 GHEDRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cn1 ZINC000599699852 861508208 /nfs/dbraw/zinc/50/82/08/861508208.db2.gz MQLRFKIJRZIOJH-FQEVSTJZSA-N 1 0 396.516 3.582 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000433010145 844934915 /nfs/dbraw/zinc/93/49/15/844934915.db2.gz JVPNORSVLRTDDQ-SFHVURJKSA-N 1 0 392.528 3.980 20 30 GHEDRO CN(C)c1nccc(CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)n1 ZINC000329480476 861514531 /nfs/dbraw/zinc/51/45/31/861514531.db2.gz QUKTTZTZMNTJOF-MRXNPFEDSA-N 1 0 382.512 3.506 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000151146695 844988947 /nfs/dbraw/zinc/98/89/47/844988947.db2.gz FYOYKIXJRDCDBL-ICSRJNTNSA-N 1 0 383.442 3.530 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433039421 845038973 /nfs/dbraw/zinc/03/89/73/845038973.db2.gz NVARSSAXIRLBJI-LJQANCHMSA-N 1 0 378.432 3.509 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599685787 861527848 /nfs/dbraw/zinc/52/78/48/861527848.db2.gz YNRQDWYOHRZHIJ-GOSISDBHSA-N 1 0 392.286 3.907 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@@H](O)CO[C@@H]1CCCc3ccccc31)C2 ZINC000599686822 861530360 /nfs/dbraw/zinc/53/03/60/861530360.db2.gz ZNKUGQPLGOCFQH-ZJSXRUAMSA-N 1 0 376.500 3.566 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(C#N)c3C)CC[N@@H+]2C2CC2)c1 ZINC000512707717 845103284 /nfs/dbraw/zinc/10/32/84/845103284.db2.gz JIJIKIPAXGVDTE-VXKWHMMOSA-N 1 0 375.472 3.583 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C1(c2ccccc2)CCCC1 ZINC000614222345 845291533 /nfs/dbraw/zinc/29/15/33/845291533.db2.gz AIHBRGBBDDDRFY-KNQAVFIVSA-N 1 0 378.516 3.982 20 30 GHEDRO C[C@H]1[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000574189151 845368882 /nfs/dbraw/zinc/36/88/82/845368882.db2.gz FXAMIAPDCJPWGV-HRAATJIYSA-N 1 0 379.479 3.754 20 30 GHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000277348543 845816450 /nfs/dbraw/zinc/81/64/50/845816450.db2.gz TWWHRVSQEAXDTD-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431320287 845876639 /nfs/dbraw/zinc/87/66/39/845876639.db2.gz ZMYHPIKEXDCYPN-FCHUYYIVSA-N 1 0 397.563 3.665 20 30 GHEDRO COc1ccc(C#N)cc1C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001167526030 846054443 /nfs/dbraw/zinc/05/44/43/846054443.db2.gz MZSDBNPMDUEWSJ-SFHVURJKSA-N 1 0 375.513 3.938 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000522481518 861640314 /nfs/dbraw/zinc/64/03/14/861640314.db2.gz WDFIMEMYBPIGCO-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000513665909 846212769 /nfs/dbraw/zinc/21/27/69/846212769.db2.gz IHAVFTDUVPHRMJ-QGZVFWFLSA-N 1 0 381.520 3.945 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3nn(-c4ccccc4)c4c3CCC4)CC2)cc1 ZINC000513665573 846231311 /nfs/dbraw/zinc/23/13/11/846231311.db2.gz FVVDZHMWCWFPNW-UHFFFAOYSA-N 1 0 397.526 3.991 20 30 GHEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCc2sccc2C1 ZINC000513683448 846238135 /nfs/dbraw/zinc/23/81/35/846238135.db2.gz KMHHDVZNJUNEDZ-QGZVFWFLSA-N 1 0 380.561 3.625 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000183106153 846323412 /nfs/dbraw/zinc/32/34/12/846323412.db2.gz ZHLNRWXOJWHTLW-UHFFFAOYSA-N 1 0 382.471 3.743 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000280554648 846433949 /nfs/dbraw/zinc/43/39/49/846433949.db2.gz FEYVUKZXYLYCHY-XMSQKQJNSA-N 1 0 386.492 3.950 20 30 GHEDRO C=CCC[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000158070486 846436097 /nfs/dbraw/zinc/43/60/97/846436097.db2.gz GREMJLXWPQGSLZ-QFIPXVFZSA-N 1 0 384.568 3.552 20 30 GHEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)cc1C ZINC000280598076 846456986 /nfs/dbraw/zinc/45/69/86/846456986.db2.gz WMHHPHBBDYEMNC-UHFFFAOYSA-N 1 0 392.503 3.924 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1OC ZINC000628326475 846458665 /nfs/dbraw/zinc/45/86/65/846458665.db2.gz ICZKQWWPVQBIME-LJQANCHMSA-N 1 0 392.927 3.650 20 30 GHEDRO C=C(C)[C@H]([NH2+]CCc1c(C)nc2sccn2c1=O)c1ccc(F)c(F)c1 ZINC000509141869 861680528 /nfs/dbraw/zinc/68/05/28/861680528.db2.gz RYJKZGQTGRZVNB-KRWDZBQOSA-N 1 0 375.444 3.792 20 30 GHEDRO CCCc1ccc(C(=O)C(C(=S)NC2CCOCC2)[n+]2ccc(C)cc2)cc1 ZINC000280657467 846483810 /nfs/dbraw/zinc/48/38/10/846483810.db2.gz XAKAKEWSTQDMSM-UHFFFAOYSA-O 1 0 397.564 3.942 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179659144 861689324 /nfs/dbraw/zinc/68/93/24/861689324.db2.gz XSHWHODVMOQUGR-INIZCTEOSA-N 1 0 382.891 3.700 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc2c(c1)CCCC2 ZINC000329572114 861691805 /nfs/dbraw/zinc/69/18/05/861691805.db2.gz MXRCCXRPAUSPCI-NPFVIJTESA-N 1 0 385.552 3.508 20 30 GHEDRO CCC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000179665927 861692643 /nfs/dbraw/zinc/69/26/43/861692643.db2.gz RDSYBJXVXOSXBF-UXHICEINSA-N 1 0 396.560 3.588 20 30 GHEDRO COc1ccc2c(c1)CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000551909367 846571387 /nfs/dbraw/zinc/57/13/87/846571387.db2.gz NZXHLMRZHKMVPY-UHFFFAOYSA-N 1 0 383.879 3.997 20 30 GHEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329577629 861694644 /nfs/dbraw/zinc/69/46/44/861694644.db2.gz ORAYNZZHKRZRRG-IGXDRUSNSA-N 1 0 389.540 3.617 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000760016436 846604216 /nfs/dbraw/zinc/60/42/16/846604216.db2.gz JQEQDVCIDXGMPA-YKSBVNFPSA-N 1 0 378.516 3.640 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367111112 846639222 /nfs/dbraw/zinc/63/92/22/846639222.db2.gz RXJBQQJSDBNEQV-OAQYLSRUSA-N 1 0 389.455 3.580 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000503032186 846734425 /nfs/dbraw/zinc/73/44/25/846734425.db2.gz SMYSVXRSZDSSDS-UHFFFAOYSA-N 1 0 384.911 3.876 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 ZINC000599816216 861715581 /nfs/dbraw/zinc/71/55/81/861715581.db2.gz CEJXLKSEDYSHHI-UHFFFAOYSA-N 1 0 376.476 3.682 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1C#N ZINC000161210500 846768805 /nfs/dbraw/zinc/76/88/05/846768805.db2.gz LPFODOJHLAJOQN-HNNXBMFYSA-N 1 0 384.480 3.720 20 30 GHEDRO COc1cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(F)cc1C#N ZINC000599817589 861722990 /nfs/dbraw/zinc/72/29/90/861722990.db2.gz PNFOEJMMSBTGBH-HOTGVXAUSA-N 1 0 388.487 3.824 20 30 GHEDRO COc1cc2c(c(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)c1)O[C@@H](C)C2 ZINC000513713607 846868914 /nfs/dbraw/zinc/86/89/14/846868914.db2.gz QMWTXGNNGAOQKY-INIZCTEOSA-N 1 0 378.472 3.934 20 30 GHEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000430038833 846938892 /nfs/dbraw/zinc/93/88/92/846938892.db2.gz CGFODTRIYZHLRI-UHFFFAOYSA-N 1 0 381.432 3.966 20 30 GHEDRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000137099907 847053937 /nfs/dbraw/zinc/05/39/37/847053937.db2.gz JKLSAZIVSICIIV-UHFFFAOYSA-N 1 0 393.487 3.829 20 30 GHEDRO C[C@](C#N)(NC(=O)CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000511110696 847064097 /nfs/dbraw/zinc/06/40/97/847064097.db2.gz RMHMTPZTDQCNQY-HNAYVOBHSA-N 1 0 379.426 3.693 20 30 GHEDRO COc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c(F)cc1C#N ZINC000599810257 861751220 /nfs/dbraw/zinc/75/12/20/861751220.db2.gz PKHWRJKTMMNFOK-INIZCTEOSA-N 1 0 396.466 3.692 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000501779124 847180023 /nfs/dbraw/zinc/18/00/23/847180023.db2.gz XABVIUNKLGXYAC-CALCHBBNSA-N 1 0 395.469 3.724 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COCc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000187757416 847228748 /nfs/dbraw/zinc/22/87/48/847228748.db2.gz DVLBYHIEKHNFMY-UWJYYQICSA-N 1 0 377.431 3.758 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187758346 847289662 /nfs/dbraw/zinc/28/96/62/847289662.db2.gz SAHZWOTYCLITCN-IFXJQAMLSA-N 1 0 378.375 3.520 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000604103232 861788549 /nfs/dbraw/zinc/78/85/49/861788549.db2.gz BZJVDGNLYSUZSK-OAHLLOKOSA-N 1 0 386.446 3.671 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135106135 847469390 /nfs/dbraw/zinc/46/93/90/847469390.db2.gz JHFMDWIFGCIGDZ-INIZCTEOSA-N 1 0 397.441 3.580 20 30 GHEDRO C=CCOc1cccc(C[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)c1 ZINC000414476880 847495160 /nfs/dbraw/zinc/49/51/60/847495160.db2.gz BQUFBDNFUNCTKK-UHFFFAOYSA-N 1 0 379.909 3.988 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(OC)c1 ZINC000420948450 847570278 /nfs/dbraw/zinc/57/02/78/847570278.db2.gz NYPYSNJDBKRMLS-SJORKVTESA-N 1 0 387.442 3.828 20 30 GHEDRO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000421030011 847629378 /nfs/dbraw/zinc/62/93/78/847629378.db2.gz BRHBEDFIVGYPOS-UHFFFAOYSA-N 1 0 379.460 3.569 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000509966311 847651936 /nfs/dbraw/zinc/65/19/36/847651936.db2.gz AAEFIWWURMSSOX-HXUWFJFHSA-N 1 0 380.492 3.698 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503413824 847678957 /nfs/dbraw/zinc/67/89/57/847678957.db2.gz UYAZHJYWALQENV-OAHLLOKOSA-N 1 0 392.341 3.637 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000604124287 861855017 /nfs/dbraw/zinc/85/50/17/861855017.db2.gz AOKVDEOYEFZFME-QGZVFWFLSA-N 1 0 389.293 3.585 20 30 GHEDRO COc1cc2c(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc[nH+]c2cc1F ZINC000480119898 848299933 /nfs/dbraw/zinc/29/99/33/848299933.db2.gz YKFKQANIOCPEJA-LJQANCHMSA-N 1 0 390.418 3.862 20 30 GHEDRO C=CCc1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc(OC)c1O ZINC000192354957 861926119 /nfs/dbraw/zinc/92/61/19/861926119.db2.gz FJLHYQRHGCFFGI-QFIPXVFZSA-N 1 0 396.531 3.510 20 30 GHEDRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000120851921 848646966 /nfs/dbraw/zinc/64/69/66/848646966.db2.gz WAABZNIOMLVVPE-UHFFFAOYSA-N 1 0 387.487 3.809 20 30 GHEDRO C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[NH2+]1 ZINC000599938954 861938770 /nfs/dbraw/zinc/93/87/70/861938770.db2.gz KHICIUKCVVRWTJ-IIBYNOLFSA-N 1 0 380.467 3.550 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCc1ccc(C#N)cc1 ZINC000150892888 849601045 /nfs/dbraw/zinc/60/10/45/849601045.db2.gz XRNRTBLJYOEALB-RTBURBONSA-N 1 0 375.516 3.764 20 30 GHEDRO COc1cc(OC)c(C2CC[NH+](CCOc3ccccc3C#N)CC2)c(OC)c1 ZINC000604288555 862037179 /nfs/dbraw/zinc/03/71/79/862037179.db2.gz QTBQVFOUOUYILH-UHFFFAOYSA-N 1 0 396.487 3.842 20 30 GHEDRO CCCCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C1CC1 ZINC000583328246 849636282 /nfs/dbraw/zinc/63/62/82/849636282.db2.gz CBCXIOFACKKRPJ-UHFFFAOYSA-N 1 0 378.524 3.540 20 30 GHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000583350790 849683493 /nfs/dbraw/zinc/68/34/93/849683493.db2.gz ROWQMKCYJURMDD-HNNXBMFYSA-N 1 0 385.537 3.847 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CCCCC1 ZINC000329686027 862055664 /nfs/dbraw/zinc/05/56/64/862055664.db2.gz FQNFOSPRGLJLIE-HXUWFJFHSA-N 1 0 385.552 3.849 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000481699923 862060670 /nfs/dbraw/zinc/06/06/70/862060670.db2.gz YIIYRHVBCAMBED-PMACEKPBSA-N 1 0 377.573 3.796 20 30 GHEDRO COC(=O)[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000434861373 849847633 /nfs/dbraw/zinc/84/76/33/849847633.db2.gz MPGPMLNERRBHEG-QFIPXVFZSA-N 1 0 377.488 3.913 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC000435039298 850002749 /nfs/dbraw/zinc/00/27/49/850002749.db2.gz DLVSYEOPIKHECC-UHFFFAOYSA-N 1 0 391.515 3.627 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCC#Cc2cccc(F)c2)[NH+](C)C)cc1 ZINC000504403764 850054053 /nfs/dbraw/zinc/05/40/53/850054053.db2.gz PPNFMOKVFMOANH-JOCHJYFZSA-N 1 0 397.494 3.567 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)n(C2CCOCC2)c1C)C(C)C ZINC000668682539 850082515 /nfs/dbraw/zinc/08/25/15/850082515.db2.gz JJHBVXQBABCRNS-JOCHJYFZSA-N 1 0 387.568 3.885 20 30 GHEDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435136364 850120252 /nfs/dbraw/zinc/12/02/52/850120252.db2.gz BDLWIUHIMOLDEP-VGSWGCGISA-N 1 0 387.487 3.683 20 30 GHEDRO C=C(CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)c1ccccc1 ZINC000510030930 850159859 /nfs/dbraw/zinc/15/98/59/850159859.db2.gz YSNCTCVGLGLPNS-SFHVURJKSA-N 1 0 391.515 3.815 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c(C)c2)CC1 ZINC000435161581 850164900 /nfs/dbraw/zinc/16/49/00/850164900.db2.gz DVBVIHLLNVPHQK-UHFFFAOYSA-N 1 0 388.515 3.679 20 30 GHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)C1 ZINC000732136247 862101696 /nfs/dbraw/zinc/10/16/96/862101696.db2.gz OHOHDJUUBDJYLK-QGZVFWFLSA-N 1 0 382.508 3.881 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H]1c1cccs1 ZINC000514714051 850204141 /nfs/dbraw/zinc/20/41/41/850204141.db2.gz UIVKGQGSVLOLEH-YVEFUNNKSA-N 1 0 389.912 3.873 20 30 GHEDRO CC(C)n1cc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1 ZINC000543503049 862105668 /nfs/dbraw/zinc/10/56/68/862105668.db2.gz LLCISCFEVKSXHZ-CQSZACIVSA-N 1 0 385.537 3.955 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424131499 850256721 /nfs/dbraw/zinc/25/67/21/850256721.db2.gz WCVFNHCKFYSQOS-UXHICEINSA-N 1 0 397.592 3.991 20 30 GHEDRO C=CCOc1ccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000600484711 862110322 /nfs/dbraw/zinc/11/03/22/862110322.db2.gz JELWQMJSQDMLBM-UHFFFAOYSA-N 1 0 380.488 3.656 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000908694470 850273850 /nfs/dbraw/zinc/27/38/50/850273850.db2.gz YAOFMYWZACMRQE-BJLQDIEVSA-N 1 0 381.524 3.587 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000522589817 862113626 /nfs/dbraw/zinc/11/36/26/862113626.db2.gz OUMBYERGWFTGSR-QZTJIDSGSA-N 1 0 395.503 3.828 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000505649383 850311636 /nfs/dbraw/zinc/31/16/36/850311636.db2.gz YFPKCGYUZXKFHZ-OAQYLSRUSA-N 1 0 391.515 3.525 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000514851905 850385701 /nfs/dbraw/zinc/38/57/01/850385701.db2.gz LJZNLPGJQLWJEB-IBGZPJMESA-N 1 0 384.455 3.909 20 30 GHEDRO CN(C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)C1(C#N)CCCCC1 ZINC000027574536 850425898 /nfs/dbraw/zinc/42/58/98/850425898.db2.gz JOGYRAAUKWMFSM-UHFFFAOYSA-N 1 0 397.519 3.845 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000514945660 850491214 /nfs/dbraw/zinc/49/12/14/850491214.db2.gz QHDDQRYNSKVJGT-QGZVFWFLSA-N 1 0 393.491 3.845 20 30 GHEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000444783034 862135187 /nfs/dbraw/zinc/13/51/87/862135187.db2.gz KDMNVUIHXHXFBW-APWZRJJASA-N 1 0 378.394 3.890 20 30 GHEDRO C=CCCc1ccccc1NC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000505017526 850525340 /nfs/dbraw/zinc/52/53/40/850525340.db2.gz XETIDQIHAZIWOU-LJQANCHMSA-N 1 0 383.492 3.751 20 30 GHEDRO C[C@H](NC(=O)CSc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487254275 850623302 /nfs/dbraw/zinc/62/33/02/850623302.db2.gz YLPBNCHSTFRHSN-PXNSSMCTSA-N 1 0 379.529 3.677 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425392333 850627124 /nfs/dbraw/zinc/62/71/24/850627124.db2.gz GFIGRQCZICEFOJ-GHTZIAJQSA-N 1 0 376.504 3.907 20 30 GHEDRO C=C(C)Cn1c(C2CCOCC2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000909282323 850686506 /nfs/dbraw/zinc/68/65/06/850686506.db2.gz UPDOIWAIWBLUMA-UHFFFAOYSA-N 1 0 387.572 3.593 20 30 GHEDRO N#Cc1ncc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1Cl ZINC000515131711 850720885 /nfs/dbraw/zinc/72/08/85/850720885.db2.gz MLMDPOSNPIMKOL-UHFFFAOYSA-N 1 0 375.904 3.727 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2cccc(F)c2C#N)[NH+]2CCCCC2)cc1 ZINC000487588275 850721441 /nfs/dbraw/zinc/72/14/41/850721441.db2.gz JLAKSIOKYRRVAN-OAQYLSRUSA-N 1 0 381.451 3.663 20 30 GHEDRO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054643323 850808943 /nfs/dbraw/zinc/80/89/43/850808943.db2.gz XKEAKRNHQWARLI-HXUWFJFHSA-N 1 0 390.531 3.710 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000435736463 850823883 /nfs/dbraw/zinc/82/38/83/850823883.db2.gz ANUKEPCTTHMMBL-PBHICJAKSA-N 1 0 384.314 3.927 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000515241858 850828731 /nfs/dbraw/zinc/82/87/31/850828731.db2.gz XTDOFIIHOBUKOT-VGSWGCGISA-N 1 0 395.503 3.532 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNc2ccc(C#N)cc2)cc1 ZINC000604446440 862183795 /nfs/dbraw/zinc/18/37/95/862183795.db2.gz RGGWYCJWIUPPES-GOSISDBHSA-N 1 0 376.504 3.661 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487900466 850963759 /nfs/dbraw/zinc/96/37/59/850963759.db2.gz TWENWGFMUHUXEW-UHFFFAOYSA-N 1 0 379.302 3.659 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000061567740 862191214 /nfs/dbraw/zinc/19/12/14/862191214.db2.gz XLHVWPBDEGPSOK-UHFFFAOYSA-N 1 0 399.585 3.881 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000435924449 850996221 /nfs/dbraw/zinc/99/62/21/850996221.db2.gz AQWZLXFPDRIWHR-HXUWFJFHSA-N 1 0 381.545 3.849 20 30 GHEDRO CCOCc1nc(Cl)cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000894408861 851151479 /nfs/dbraw/zinc/15/14/79/851151479.db2.gz UYMJKUPGXBHVNE-UHFFFAOYSA-N 1 0 385.899 3.615 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000425476083 851256296 /nfs/dbraw/zinc/25/62/96/851256296.db2.gz NJZCISVCOYPTIE-MSOLQXFVSA-N 1 0 391.519 3.881 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC000505462707 851447014 /nfs/dbraw/zinc/44/70/14/851447014.db2.gz UARVJZJLRYOQBO-SFHVURJKSA-N 1 0 390.325 3.616 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000436319207 851456314 /nfs/dbraw/zinc/45/63/14/851456314.db2.gz ZRCQERSZOPHPLS-DEYYWGMASA-N 1 0 381.314 3.737 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000425129937 851458958 /nfs/dbraw/zinc/45/89/58/851458958.db2.gz MQSQXGHIOLINTM-QGZVFWFLSA-N 1 0 379.529 3.940 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(I)cc2)CC1 ZINC000482627431 863401971 /nfs/dbraw/zinc/40/19/71/863401971.db2.gz HFTNBRYKJXDHCU-CQSZACIVSA-N 1 0 384.305 3.982 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000556667584 862249833 /nfs/dbraw/zinc/24/98/33/862249833.db2.gz HYSZNXHCFMLJBQ-RBUKOAKNSA-N 1 0 397.544 3.579 20 30 GHEDRO C=CCc1cc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)cc(OC)c1O ZINC000430101078 851575760 /nfs/dbraw/zinc/57/57/60/851575760.db2.gz IDXGPQAJDYMQGV-UHFFFAOYSA-N 1 0 384.451 3.532 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000488498467 851580164 /nfs/dbraw/zinc/58/01/64/851580164.db2.gz HGIDMGITKTXYLW-XMSQKQJNSA-N 1 0 393.556 3.818 20 30 GHEDRO C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC[N@@H+](C2CCC2)C1 ZINC000488713515 851718772 /nfs/dbraw/zinc/71/87/72/851718772.db2.gz LWGFONMLVUTFNW-KRWDZBQOSA-N 1 0 377.536 3.795 20 30 GHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H](C)C1 ZINC000488716487 851721664 /nfs/dbraw/zinc/72/16/64/851721664.db2.gz JAICFLSUAGGCJJ-PNLZDCPESA-N 1 0 377.536 3.650 20 30 GHEDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000030534848 862293714 /nfs/dbraw/zinc/29/37/14/862293714.db2.gz ACYMLGCRSRXZCI-MAUKXSAKSA-N 1 0 376.403 3.640 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000488994542 851913344 /nfs/dbraw/zinc/91/33/44/851913344.db2.gz GAILJUQGBOPBHP-UHFFFAOYSA-N 1 0 380.492 3.741 20 30 GHEDRO Cc1ccc2snc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2c1 ZINC000550209008 851921002 /nfs/dbraw/zinc/92/10/02/851921002.db2.gz FNYUHFGMKWIDEU-UHFFFAOYSA-N 1 0 378.501 3.680 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000437987260 851922028 /nfs/dbraw/zinc/92/20/28/851922028.db2.gz OZQJTJCECVUORC-WPFOTENUSA-N 1 0 397.563 3.665 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000489036589 851936980 /nfs/dbraw/zinc/93/69/80/851936980.db2.gz NWOMYWDIJIBOIB-RRMPHLOHSA-N 1 0 377.504 3.652 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)CC2CCOCC2)CC1 ZINC000111859397 851948723 /nfs/dbraw/zinc/94/87/23/851948723.db2.gz MZAOXWKTENZLIB-UHFFFAOYSA-N 1 0 385.552 3.665 20 30 GHEDRO CCC(CC)[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+](C)C ZINC000438076178 851990103 /nfs/dbraw/zinc/99/01/03/851990103.db2.gz STOFRCWUWBFHCR-JOCHJYFZSA-N 1 0 378.520 3.969 20 30 GHEDRO C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1nc(C2CCCCC2)no1 ZINC000329782059 862318028 /nfs/dbraw/zinc/31/80/28/862318028.db2.gz NRHYHYXCMRZVFX-GJZGRUSLSA-N 1 0 377.533 3.754 20 30 GHEDRO N#Cc1ccc(CN2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000028879317 852205250 /nfs/dbraw/zinc/20/52/50/852205250.db2.gz FZKCBBNATYWFEC-UHFFFAOYSA-N 1 0 398.510 3.858 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000426029355 852467580 /nfs/dbraw/zinc/46/75/80/852467580.db2.gz PLVSOBLGBSNDJQ-WOJBJXKFSA-N 1 0 377.573 3.866 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000426029354 852467716 /nfs/dbraw/zinc/46/77/16/852467716.db2.gz PLVSOBLGBSNDJQ-VQTJNVASSA-N 1 0 377.573 3.866 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000516454877 852577510 /nfs/dbraw/zinc/57/75/10/852577510.db2.gz XXZQCXZCZNGIOE-RVHYNSKXSA-N 1 0 386.442 3.714 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000517892186 852584945 /nfs/dbraw/zinc/58/49/45/852584945.db2.gz KMPNULBRLRBOCW-LPHOPBHVSA-N 1 0 392.459 3.575 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3c(F)cccc3C#N)C2)s1 ZINC000516479835 852623084 /nfs/dbraw/zinc/62/30/84/852623084.db2.gz ZEJOBTFYTGIGKB-INIZCTEOSA-N 1 0 385.508 3.590 20 30 GHEDRO C=CCc1cc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc(OC)c1O ZINC000506299749 852632183 /nfs/dbraw/zinc/63/21/83/852632183.db2.gz WWIBYTLSUXJPLR-UHFFFAOYSA-N 1 0 384.495 3.976 20 30 GHEDRO CN1CC[C@@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000516515409 852668967 /nfs/dbraw/zinc/66/89/67/852668967.db2.gz QDMPLIDLBQLXLN-IRLDBZIGSA-N 1 0 396.922 3.622 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 ZINC000505953953 852686794 /nfs/dbraw/zinc/68/67/94/852686794.db2.gz KSZJNZMFELHAMP-NRFANRHFSA-N 1 0 379.479 3.928 20 30 GHEDRO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000489946724 852690616 /nfs/dbraw/zinc/69/06/16/852690616.db2.gz MWBOVLMETYERPR-RBBKRZOGSA-N 1 0 379.479 3.981 20 30 GHEDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000505963922 852717145 /nfs/dbraw/zinc/71/71/45/852717145.db2.gz ICZWKUMBUFRQDT-IRXDYDNUSA-N 1 0 393.535 3.539 20 30 GHEDRO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000507285284 852754468 /nfs/dbraw/zinc/75/44/68/852754468.db2.gz RSQHGYNRRUNLOH-OAQYLSRUSA-N 1 0 382.548 3.778 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414944589 852772745 /nfs/dbraw/zinc/77/27/45/852772745.db2.gz HBJLIQKSHSOLDH-ZFWWWQNUSA-N 1 0 383.330 3.643 20 30 GHEDRO CCN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000437156257 852807577 /nfs/dbraw/zinc/80/75/77/852807577.db2.gz OKZCCFWYTYXCBZ-GOSISDBHSA-N 1 0 385.414 3.787 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC000426141818 852827280 /nfs/dbraw/zinc/82/72/80/852827280.db2.gz TZEDNMKIGCEXFG-SFHVURJKSA-N 1 0 382.895 3.898 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2nc3c(cc2C#N)COCC3)C1 ZINC000518084218 852838866 /nfs/dbraw/zinc/83/88/66/852838866.db2.gz AORXPSIQAFFDQM-HDICACEKSA-N 1 0 390.531 3.538 20 30 GHEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507452035 852925193 /nfs/dbraw/zinc/92/51/93/852925193.db2.gz VTBXMRSLMMUCDC-OXJNMPFZSA-N 1 0 392.459 3.573 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414957543 852928045 /nfs/dbraw/zinc/92/80/45/852928045.db2.gz PYGLZYCEEKNHLX-HXUWFJFHSA-N 1 0 380.492 3.547 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000507569866 853040098 /nfs/dbraw/zinc/04/00/98/853040098.db2.gz RENSIFWGFIDSAQ-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H]3c3cc(C)no3)c2)CC1 ZINC000329933007 862435863 /nfs/dbraw/zinc/43/58/63/862435863.db2.gz PTLICUMBFRCKEB-IBGZPJMESA-N 1 0 383.496 3.508 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(C)cc1OCC(F)(F)F ZINC000151263439 853236078 /nfs/dbraw/zinc/23/60/78/853236078.db2.gz HBULYBGLSUCADJ-UHFFFAOYSA-N 1 0 381.398 3.549 20 30 GHEDRO O=C(CCn1ncc(=O)c2ccccc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329948472 862447195 /nfs/dbraw/zinc/44/71/95/862447195.db2.gz ZBURKWZFODMTRI-UHFFFAOYSA-N 1 0 382.508 3.540 20 30 GHEDRO CCOC(=O)Cn1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000437575475 853283438 /nfs/dbraw/zinc/28/34/38/853283438.db2.gz FYJFTWWTKDCURB-UHFFFAOYSA-N 1 0 382.508 3.593 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440555143 853379467 /nfs/dbraw/zinc/37/94/67/853379467.db2.gz FJGJMKIFROXZLB-FDGPYGQJSA-N 1 0 395.547 3.991 20 30 GHEDRO C[N@H+](CCOc1cccc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518473952 853391067 /nfs/dbraw/zinc/39/10/67/853391067.db2.gz AZMLQWDUTNJULM-MOPGFXCFSA-N 1 0 377.271 3.834 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)COc2ccccc2C(F)(F)F)CC1 ZINC000518513689 853451788 /nfs/dbraw/zinc/45/17/88/853451788.db2.gz LOEIYLZLNLQUOD-OAHLLOKOSA-N 1 0 399.457 3.812 20 30 GHEDRO COc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000519793708 853476626 /nfs/dbraw/zinc/47/66/26/853476626.db2.gz CTOACBOIADJKFZ-XLIONFOSSA-N 1 0 398.532 3.511 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000586789123 853549417 /nfs/dbraw/zinc/54/94/17/853549417.db2.gz ZQAHHQYDIYQJMT-PZKPASOESA-N 1 0 377.488 3.826 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000329985939 862479075 /nfs/dbraw/zinc/47/90/75/862479075.db2.gz RMXGEBKEERVPDJ-CYBMUJFWSA-N 1 0 387.459 3.572 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC[N@@H+]1C ZINC000329985112 862479347 /nfs/dbraw/zinc/47/93/47/862479347.db2.gz QWSLCTARJJANLT-DOMZBBRYSA-N 1 0 387.459 3.713 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000519903969 853614326 /nfs/dbraw/zinc/61/43/26/853614326.db2.gz KLPPZBGJDBZZNT-XMMPIXPASA-N 1 0 381.479 3.822 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000188071094 853635000 /nfs/dbraw/zinc/63/50/00/853635000.db2.gz BEACCNYBUKUREW-OAQYLSRUSA-N 1 0 394.943 3.528 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729481824 853651834 /nfs/dbraw/zinc/65/18/34/853651834.db2.gz YLLFDTWVOYZGCY-QFBILLFUSA-N 1 0 386.430 3.852 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000571137999 853764464 /nfs/dbraw/zinc/76/44/64/853764464.db2.gz MXBUNDRJOYQJBW-JOCHJYFZSA-N 1 0 386.540 3.921 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)C[NH+](CC)CC)c1ccc2c(c1)OCO2 ZINC000061757478 862502827 /nfs/dbraw/zinc/50/28/27/862502827.db2.gz UCKUHWIZUOLCQU-UHFFFAOYSA-N 1 0 396.487 3.855 20 30 GHEDRO COc1ccc([C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000045004338 853996467 /nfs/dbraw/zinc/99/64/67/853996467.db2.gz BFAMUJYHEMWOOV-SFHVURJKSA-N 1 0 385.508 3.526 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000129489433 854078595 /nfs/dbraw/zinc/07/85/95/854078595.db2.gz GJDPFFNCPHLBCZ-HXUWFJFHSA-N 1 0 396.491 3.829 20 30 GHEDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2Cl)s1 ZINC000571828381 854150266 /nfs/dbraw/zinc/15/02/66/854150266.db2.gz RXXKWWIRNOKDOE-GRYCIOLGSA-N 1 0 391.928 3.939 20 30 GHEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481928821 862535428 /nfs/dbraw/zinc/53/54/28/862535428.db2.gz SFOHMMXFBOJSDW-QVKFZJNVSA-N 1 0 383.517 3.585 20 30 GHEDRO C=C(C)CS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000571898141 854178739 /nfs/dbraw/zinc/17/87/39/854178739.db2.gz JJSTWRREAXNYCD-DQXYTYHJSA-N 1 0 382.957 3.749 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588235784 854226796 /nfs/dbraw/zinc/22/67/96/854226796.db2.gz OKJTZIKPFOAKHF-QFBILLFUSA-N 1 0 391.475 3.836 20 30 GHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000330064370 862546663 /nfs/dbraw/zinc/54/66/63/862546663.db2.gz QZOFBIGVKBUXKA-VMWRSERWSA-N 1 0 375.900 3.666 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)nc1 ZINC000760702251 854389177 /nfs/dbraw/zinc/38/91/77/854389177.db2.gz ROVKGNGRGRVZGQ-UHFFFAOYSA-N 1 0 379.685 3.842 20 30 GHEDRO CC(C)[C@H](C(=O)NCc1nc2cc(Br)cnc2[nH]1)[NH+]1CCCCC1 ZINC000328616318 854483431 /nfs/dbraw/zinc/48/34/31/854483431.db2.gz SJMUASQHULBVGP-OAHLLOKOSA-N 1 0 394.317 3.687 20 30 GHEDRO C[C@H](C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328663061 854495007 /nfs/dbraw/zinc/49/50/07/854495007.db2.gz AWSZNEROHBLVRS-CEXWTWQISA-N 1 0 385.552 3.828 20 30 GHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c2)cn1 ZINC000328691566 854511004 /nfs/dbraw/zinc/51/10/04/854511004.db2.gz IVXOLDRZSZXJIC-QFBILLFUSA-N 1 0 380.492 3.780 20 30 GHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2)cn1 ZINC000328714793 854519473 /nfs/dbraw/zinc/51/94/73/854519473.db2.gz SPKQRGSAGRGZMQ-LJQANCHMSA-N 1 0 380.492 3.781 20 30 GHEDRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C12CCC[NH+]1CCC2 ZINC000328751156 854527831 /nfs/dbraw/zinc/52/78/31/854527831.db2.gz CGFDRXNEWZPKLX-OAHLLOKOSA-N 1 0 382.291 3.684 20 30 GHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@]2(CCCOC2)O1 ZINC000330101487 862575566 /nfs/dbraw/zinc/57/55/66/862575566.db2.gz FNEKKDLXSGONKF-KBXCAEBGSA-N 1 0 386.414 3.953 20 30 GHEDRO O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328820616 854549947 /nfs/dbraw/zinc/54/99/47/854549947.db2.gz HOMVJYORKXZXMT-PQGQHUGISA-N 1 0 389.540 3.574 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000328832744 854566819 /nfs/dbraw/zinc/56/68/19/854566819.db2.gz VQXPDBRTELPNCX-GBESFXJTSA-N 1 0 386.540 3.870 20 30 GHEDRO CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000328902604 854588253 /nfs/dbraw/zinc/58/82/53/854588253.db2.gz GUFFRVKZGXAIPU-QFBILLFUSA-N 1 0 389.565 3.829 20 30 GHEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cnc([C@@H]2CCCO2)s1 ZINC000328868337 854589248 /nfs/dbraw/zinc/58/92/48/854589248.db2.gz HFKLCPJVQSOTGK-KRWDZBQOSA-N 1 0 387.505 3.588 20 30 GHEDRO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c12 ZINC000328956280 854616164 /nfs/dbraw/zinc/61/61/64/854616164.db2.gz ZEEVITSRSNNDEN-WBVHZDCISA-N 1 0 395.532 3.937 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000588980446 854626222 /nfs/dbraw/zinc/62/62/22/854626222.db2.gz GDMMBHMMNADLNA-IBGZPJMESA-N 1 0 392.421 3.629 20 30 GHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588993922 854632669 /nfs/dbraw/zinc/63/26/69/854632669.db2.gz QQKDZGGQRCVXTO-INIZCTEOSA-N 1 0 381.480 3.987 20 30 GHEDRO Cn1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C2CCCCC2)n1 ZINC000328969699 854636428 /nfs/dbraw/zinc/63/64/28/854636428.db2.gz UMPJVEONOGNLTN-UXHICEINSA-N 1 0 388.556 3.540 20 30 GHEDRO CC(C)(CNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1)[NH+]1CCCCC1 ZINC000328989235 854642263 /nfs/dbraw/zinc/64/22/63/854642263.db2.gz RUDLAUXHTDCGNN-PZJWPPBQSA-N 1 0 398.551 3.745 20 30 GHEDRO CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330118248 862588196 /nfs/dbraw/zinc/58/81/96/862588196.db2.gz YGTICQYQGPWDHI-LZBANZJXSA-N 1 0 397.563 3.959 20 30 GHEDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)C1 ZINC000330476848 854674885 /nfs/dbraw/zinc/67/48/85/854674885.db2.gz IFJUHGZSVCPAMD-HNNXBMFYSA-N 1 0 379.932 3.791 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000589080263 854676952 /nfs/dbraw/zinc/67/69/52/854676952.db2.gz ROGYLICVZREGED-LJQANCHMSA-N 1 0 381.442 3.887 20 30 GHEDRO COc1ccc(Br)c(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000330646393 854707534 /nfs/dbraw/zinc/70/75/34/854707534.db2.gz ULEWQGXDAYJSDA-CQSZACIVSA-N 1 0 398.345 3.582 20 30 GHEDRO O=C(C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1)NC1CCCCC1 ZINC000330127362 862597462 /nfs/dbraw/zinc/59/74/62/862597462.db2.gz CNRCLRYFTDNSFJ-VGOFRKELSA-N 1 0 395.507 3.774 20 30 GHEDRO Cc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1NC(=O)NC(C)(C)C ZINC000330817713 854756215 /nfs/dbraw/zinc/75/62/15/854756215.db2.gz NEVXIRDJGNLXNI-UHFFFAOYSA-N 1 0 388.556 3.873 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330131278 862600817 /nfs/dbraw/zinc/60/08/17/862600817.db2.gz POIZKJRAVGVCIL-MRXNPFEDSA-N 1 0 387.524 3.647 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)[C@H](C)C1 ZINC000330977672 854789566 /nfs/dbraw/zinc/78/95/66/854789566.db2.gz KZNJHLIETKDJHZ-DNVCBOLYSA-N 1 0 375.513 3.804 20 30 GHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@]2(CCCOC2)O1 ZINC000330140281 862608918 /nfs/dbraw/zinc/60/89/18/862608918.db2.gz WVHXOAYOYNFPLB-KSSFIOAISA-N 1 0 397.313 3.697 20 30 GHEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)ccn1 ZINC000589364026 854829267 /nfs/dbraw/zinc/82/92/67/854829267.db2.gz BEIYGWXJRROCQD-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO COc1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(OC)c(C)c1OC ZINC000331250786 854831905 /nfs/dbraw/zinc/83/19/05/854831905.db2.gz SNDTWPPEXNCLKF-UHFFFAOYSA-N 1 0 379.501 3.610 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000045432908 854852839 /nfs/dbraw/zinc/85/28/39/854852839.db2.gz UHBQXYKZVBMRCY-UHFFFAOYSA-N 1 0 395.469 3.868 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cc(C)cc(C)c1 ZINC000669334848 855026263 /nfs/dbraw/zinc/02/62/63/855026263.db2.gz MGVKFGSXMGEEJN-RTWAWAEBSA-N 1 0 395.551 3.643 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H](C)c1ccccc1F ZINC000669334540 855030261 /nfs/dbraw/zinc/03/02/61/855030261.db2.gz HWSDIDNMGIOCCP-HLIPFELVSA-N 1 0 399.514 3.726 20 30 GHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(C#N)cc(N(C)C)c3)cc2)C1 ZINC000572890686 855035481 /nfs/dbraw/zinc/03/54/81/855035481.db2.gz JBTVSNDUXVLRTH-KRWDZBQOSA-N 1 0 392.503 3.597 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C#N)ccc2OCCOC)cc1 ZINC000273047460 855044710 /nfs/dbraw/zinc/04/47/10/855044710.db2.gz BSZHWZOMIXHKNK-UHFFFAOYSA-N 1 0 381.476 3.678 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000589706100 855114951 /nfs/dbraw/zinc/11/49/51/855114951.db2.gz SLSGLNQVBRRZGH-CTNGQTDRSA-N 1 0 395.499 3.763 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000054538056 855165238 /nfs/dbraw/zinc/16/52/38/855165238.db2.gz CVGFLZPCUFIBKO-SFHVURJKSA-N 1 0 382.464 3.897 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000106035984 855170800 /nfs/dbraw/zinc/17/08/00/855170800.db2.gz UZKKDVQEFZNBIY-OAHLLOKOSA-N 1 0 395.341 3.682 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000106035769 855171079 /nfs/dbraw/zinc/17/10/79/855171079.db2.gz AAUXFXAMEMVPEG-ROUUACIJSA-N 1 0 377.326 3.709 20 30 GHEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 ZINC000590045675 855250074 /nfs/dbraw/zinc/25/00/74/855250074.db2.gz SVKKBOGXAPLJQJ-KXBFYZLASA-N 1 0 381.863 3.780 20 30 GHEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330205917 862661886 /nfs/dbraw/zinc/66/18/86/862661886.db2.gz DVKHONPPPYRRKJ-KRWDZBQOSA-N 1 0 385.512 3.513 20 30 GHEDRO N#Cc1ccc(NCC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000106829610 855305427 /nfs/dbraw/zinc/30/54/27/855305427.db2.gz ZUUMLNGHVMTCGO-UHFFFAOYSA-N 1 0 396.922 3.652 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H]1CCC1CCCC1 ZINC000330210489 862664774 /nfs/dbraw/zinc/66/47/74/862664774.db2.gz CJYWIUSZRRISJO-NJYVYQBISA-N 1 0 377.573 3.713 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1OC ZINC000190343634 855322430 /nfs/dbraw/zinc/32/24/30/855322430.db2.gz OHGPGPNDYYEDDF-BMFZPTHFSA-N 1 0 382.298 3.680 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@H](c3ccccc3F)C3CCCC3)n2)CC1 ZINC000330218454 862669775 /nfs/dbraw/zinc/66/97/75/862669775.db2.gz ORTAPGINJOLCDH-NRFANRHFSA-N 1 0 399.514 3.968 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000025867580 855366637 /nfs/dbraw/zinc/36/66/37/855366637.db2.gz JRQTWYOGVTVECF-KSSFIOAISA-N 1 0 378.394 3.862 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000536417249 855411964 /nfs/dbraw/zinc/41/19/64/855411964.db2.gz JAJVFOBJMBUFJH-GOSISDBHSA-N 1 0 376.500 3.788 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C#N)cn1 ZINC000590453300 855428250 /nfs/dbraw/zinc/42/82/50/855428250.db2.gz SESIIAOPRXFAFI-QFIPXVFZSA-N 1 0 390.531 3.759 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)[NH+]2CCCCC2)cc1 ZINC000590616178 855509581 /nfs/dbraw/zinc/50/95/81/855509581.db2.gz XIGIEPDQQGFFAM-OFNKIYASSA-N 1 0 381.520 3.812 20 30 GHEDRO COc1ccc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C2CC2)cc1 ZINC000057601789 855535563 /nfs/dbraw/zinc/53/55/63/855535563.db2.gz GUEPUGQTUZLTLF-GOSISDBHSA-N 1 0 383.536 3.981 20 30 GHEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000330256263 862697760 /nfs/dbraw/zinc/69/77/60/862697760.db2.gz BQOWCSZPTWTVMO-GOSISDBHSA-N 1 0 378.561 3.632 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)ccc21 ZINC000590851552 855614657 /nfs/dbraw/zinc/61/46/57/855614657.db2.gz HXEARDPQLNKFKO-HXUWFJFHSA-N 1 0 389.503 3.720 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3C#N)cc2F)CC1 ZINC000301151002 855629936 /nfs/dbraw/zinc/62/99/36/855629936.db2.gz KETARNIPBFLNAY-UHFFFAOYSA-N 1 0 383.427 3.880 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273528808 855642732 /nfs/dbraw/zinc/64/27/32/855642732.db2.gz RCZABPJTPNBAGU-FPOVZHCZSA-N 1 0 381.451 3.878 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(Br)c1 ZINC000182574344 855665879 /nfs/dbraw/zinc/66/58/79/855665879.db2.gz MAIDWNSMCZHZHY-AWEZNQCLSA-N 1 0 378.314 3.785 20 30 GHEDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000301410074 855689999 /nfs/dbraw/zinc/68/99/99/855689999.db2.gz XMZXUGHHRULNRJ-OAHLLOKOSA-N 1 0 389.425 3.595 20 30 GHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330275860 862712794 /nfs/dbraw/zinc/71/27/94/862712794.db2.gz MCDZLVFCPXKBJI-GGPKGHCWSA-N 1 0 387.572 3.997 20 30 GHEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000591036264 855731081 /nfs/dbraw/zinc/73/10/81/855731081.db2.gz FEKLUOXXYLQZCW-PZJWPPBQSA-N 1 0 382.895 3.575 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nccc(OCc4ccccc4)n3)CC2)cc1 ZINC000301868056 855772269 /nfs/dbraw/zinc/77/22/69/855772269.db2.gz IOMBAMKNIFGMHN-UHFFFAOYSA-N 1 0 399.498 3.640 20 30 GHEDRO N#Cc1ccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000301875075 855775365 /nfs/dbraw/zinc/77/53/65/855775365.db2.gz MFONTISZJJTOGI-QZTJIDSGSA-N 1 0 375.394 3.624 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C#N)nn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301961844 855789671 /nfs/dbraw/zinc/78/96/71/855789671.db2.gz IGMKFHMCXWLWDP-KDOFPFPSSA-N 1 0 375.398 3.862 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000301981047 855795767 /nfs/dbraw/zinc/79/57/67/855795767.db2.gz IKXUMDNVYKNRHU-GJZGRUSLSA-N 1 0 381.442 3.903 20 30 GHEDRO C[C@@H]([NH2+]C1(CNc2cc(C#N)ccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000302206537 855837552 /nfs/dbraw/zinc/83/75/52/855837552.db2.gz KOEAUKGOSXZDDE-MRXNPFEDSA-N 1 0 380.448 3.778 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2N2CCOCC2)ccc1OC ZINC000057968821 855888973 /nfs/dbraw/zinc/88/89/73/855888973.db2.gz VVZGTCIRARJPQV-UHFFFAOYSA-N 1 0 382.504 3.777 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)c(F)c1 ZINC000507621786 855914204 /nfs/dbraw/zinc/91/42/04/855914204.db2.gz CSDCLXUPGLDROP-ACJLOTCBSA-N 1 0 379.414 3.761 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)COc3ccccc3C#N)cc2)C1 ZINC000057585576 855961372 /nfs/dbraw/zinc/96/13/72/855961372.db2.gz CRTXSCYNQCVQDV-OALUTQOASA-N 1 0 391.515 3.731 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001128652109 855997080 /nfs/dbraw/zinc/99/70/80/855997080.db2.gz HNBUDUHKYLYFPA-JOCHJYFZSA-N 1 0 391.515 3.987 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152196 862745844 /nfs/dbraw/zinc/74/58/44/862745844.db2.gz QMNFEORVGZKEMW-DYESRHJHSA-N 1 0 396.535 3.841 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000482159863 862755105 /nfs/dbraw/zinc/75/51/05/862755105.db2.gz YZQOXIGYXYCBLL-AEFFLSMTSA-N 1 0 376.570 3.665 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000482159865 862755587 /nfs/dbraw/zinc/75/55/87/862755587.db2.gz YZQOXIGYXYCBLL-FUHWJXTLSA-N 1 0 376.570 3.665 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000520709587 856088778 /nfs/dbraw/zinc/08/87/78/856088778.db2.gz VDMCZYZEJCDJRI-UHFFFAOYSA-N 1 0 377.532 3.790 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000591763691 856231490 /nfs/dbraw/zinc/23/14/90/856231490.db2.gz BQYASEAMHUNYCM-SFHVURJKSA-N 1 0 384.277 3.926 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)CC1 ZINC000171720067 856242230 /nfs/dbraw/zinc/24/22/30/856242230.db2.gz VMHVKNOFIUPBCW-UHFFFAOYSA-N 1 0 390.487 3.887 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(Cl)c1OC ZINC000485242754 856257027 /nfs/dbraw/zinc/25/70/27/856257027.db2.gz DTQBJFQIRNUHAA-GOSISDBHSA-N 1 0 399.878 3.514 20 30 GHEDRO COc1ccc(C(C)(C)C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485300486 856329931 /nfs/dbraw/zinc/32/99/31/856329931.db2.gz JGDDNEGBZWAOMV-NRFANRHFSA-N 1 0 377.488 3.630 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCO[C@@H](c2ccccc2)C1)C(C)C ZINC000591843438 856342086 /nfs/dbraw/zinc/34/20/86/856342086.db2.gz HSNJHVBCKVOMLS-FGZHOGPDSA-N 1 0 385.552 3.858 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(CCc2ccc(OC)cc2)CC(C)(C)C)CC1 ZINC000172151024 856353791 /nfs/dbraw/zinc/35/37/91/856353791.db2.gz XZDUAVXDUIZFEN-UHFFFAOYSA-N 1 0 387.568 3.946 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCc4ccc(Br)cc43)CC2)nc1 ZINC000619753574 856408749 /nfs/dbraw/zinc/40/87/49/856408749.db2.gz GDCIPHABDRDFNX-IBGZPJMESA-N 1 0 397.320 3.962 20 30 GHEDRO N#CCc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000591959953 856433025 /nfs/dbraw/zinc/43/30/25/856433025.db2.gz KMJNMBYNPJCIJM-QFIPXVFZSA-N 1 0 376.504 3.779 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184834548 856451126 /nfs/dbraw/zinc/45/11/26/856451126.db2.gz ZYKQAIKXYHNVMB-SFHVURJKSA-N 1 0 375.394 3.918 20 30 GHEDRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]C[C@@H](O)CC3(C#N)CC3)n2c1 ZINC000905641732 856455132 /nfs/dbraw/zinc/45/51/32/856455132.db2.gz UZSUXGORXZVDCR-SFHVURJKSA-N 1 0 378.451 3.593 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000181213173 862800294 /nfs/dbraw/zinc/80/02/94/862800294.db2.gz QHXWLMHLVKFNKN-UGKGYDQZSA-N 1 0 377.488 3.691 20 30 GHEDRO COc1ccc(CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000061369861 856480100 /nfs/dbraw/zinc/48/01/00/856480100.db2.gz WQXGQIFQYJVPDL-UHFFFAOYSA-N 1 0 391.515 3.624 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000046105176 856490025 /nfs/dbraw/zinc/49/00/25/856490025.db2.gz VBXXFWSOJWTGNY-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139528 856689926 /nfs/dbraw/zinc/68/99/26/856689926.db2.gz LNOISRMKZAIYNH-OAQYLSRUSA-N 1 0 397.906 3.813 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1)c1ccccc1 ZINC000592175336 856699243 /nfs/dbraw/zinc/69/92/43/856699243.db2.gz RGMHLKRWUMYNQT-QHCPKHFHSA-N 1 0 389.499 3.593 20 30 GHEDRO C[C@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H]1n1ccnc1 ZINC000134059371 862827075 /nfs/dbraw/zinc/82/70/75/862827075.db2.gz YUWBHZVHFITWAF-UGSOOPFHSA-N 1 0 383.402 3.992 20 30 GHEDRO O=C(N1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1)C(F)(F)C(F)(F)F ZINC001273130434 862831515 /nfs/dbraw/zinc/83/15/15/862831515.db2.gz VEPPYSYIJGYKQX-UHFFFAOYSA-N 1 0 396.322 3.841 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592176707 856761085 /nfs/dbraw/zinc/76/10/85/856761085.db2.gz CFTSAMFKCLXSPZ-JOCHJYFZSA-N 1 0 375.472 3.546 20 30 GHEDRO N#Cc1ccc(F)c(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000888366866 856775386 /nfs/dbraw/zinc/77/53/86/856775386.db2.gz RQEWJXZTLUNGMB-UHFFFAOYSA-N 1 0 384.377 3.624 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1OC ZINC000508000891 856786322 /nfs/dbraw/zinc/78/63/22/856786322.db2.gz TXOXRJNIDWERPP-LJQANCHMSA-N 1 0 395.503 3.814 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508907885 856794341 /nfs/dbraw/zinc/79/43/41/856794341.db2.gz PEVXXMRZFLHSPI-SFHVURJKSA-N 1 0 385.581 3.766 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ncc(C#N)cc1Cl ZINC000427909198 856866701 /nfs/dbraw/zinc/86/67/01/856866701.db2.gz RVHJEMWMZCTOSN-HNNXBMFYSA-N 1 0 382.895 3.911 20 30 GHEDRO Cc1ccc(C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC2CC2)cn1 ZINC000592525096 856920307 /nfs/dbraw/zinc/92/03/07/856920307.db2.gz GUNMNDZJZKGOJL-UHFFFAOYSA-N 1 0 386.503 3.974 20 30 GHEDRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000330310162 862856592 /nfs/dbraw/zinc/85/65/92/862856592.db2.gz NEZRODGDCLYYJX-UHFFFAOYSA-N 1 0 387.549 3.646 20 30 GHEDRO CCc1cccc(NC(=O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000733328020 862868087 /nfs/dbraw/zinc/86/80/87/862868087.db2.gz JOLUPVFAOJFHOJ-UHFFFAOYSA-N 1 0 387.487 3.754 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000733327980 862870606 /nfs/dbraw/zinc/87/06/06/862870606.db2.gz OETAHARKDBEJDX-HXUWFJFHSA-N 1 0 386.289 3.865 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1cc(F)cc(Br)c1 ZINC000485839630 857134719 /nfs/dbraw/zinc/13/47/19/857134719.db2.gz BWBHDHHYJXNBIB-BLLLJJGKSA-N 1 0 384.293 3.637 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)CC1CCCCC1 ZINC000485865640 857151531 /nfs/dbraw/zinc/15/15/31/857151531.db2.gz WQQWLRAWOCHCCM-KRWDZBQOSA-N 1 0 389.565 3.894 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282184931 857179119 /nfs/dbraw/zinc/17/91/19/857179119.db2.gz FSTUICZQTWQCPB-INIZCTEOSA-N 1 0 387.503 3.710 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC23CCCC3)c1C#N ZINC000593040676 857194918 /nfs/dbraw/zinc/19/49/18/857194918.db2.gz YMXBNDFRYGSSBC-UHFFFAOYSA-N 1 0 380.492 3.965 20 30 GHEDRO Cc1oc(NC(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c1C ZINC000245938570 857203328 /nfs/dbraw/zinc/20/33/28/857203328.db2.gz LRLVFWSVNYGVBM-JXFKEZNVSA-N 1 0 394.519 3.692 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000064720389 857221839 /nfs/dbraw/zinc/22/18/39/857221839.db2.gz HOTRCLCADZRSAA-UHFFFAOYSA-N 1 0 394.906 3.757 20 30 GHEDRO N#Cc1ccc2ncc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)n2c1 ZINC000246474638 857388043 /nfs/dbraw/zinc/38/80/43/857388043.db2.gz OPDKVIPRHDNCTH-JTHBVZDNSA-N 1 0 385.515 3.692 20 30 GHEDRO C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)cc1 ZINC000672502979 857418425 /nfs/dbraw/zinc/41/84/25/857418425.db2.gz VMKKLGRTYTZHDO-UHFFFAOYSA-N 1 0 381.476 3.784 20 30 GHEDRO C=CCc1cc(C[NH2+]CCCC(=O)N2CCc3ccccc32)cc(OC)c1O ZINC000113341779 857439102 /nfs/dbraw/zinc/43/91/02/857439102.db2.gz WCJYMYQPZRJXBX-UHFFFAOYSA-N 1 0 380.488 3.588 20 30 GHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000282228747 857473949 /nfs/dbraw/zinc/47/39/49/857473949.db2.gz JGAFBVXOQRFNRH-PMACEKPBSA-N 1 0 394.567 3.541 20 30 GHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000502548545 857481977 /nfs/dbraw/zinc/48/19/77/857481977.db2.gz LUWVPVAQXNZMFW-OAQYLSRUSA-N 1 0 382.891 3.878 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](CCOC)[C@H](CCC)C2)c1 ZINC000499580354 857576378 /nfs/dbraw/zinc/57/63/78/857576378.db2.gz UQFLECXZSAGMIK-LJQANCHMSA-N 1 0 375.513 3.606 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593514372 857592834 /nfs/dbraw/zinc/59/28/34/857592834.db2.gz VXRSVSHOAJUVCI-UHFFFAOYSA-N 1 0 392.503 3.556 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000442211885 857604842 /nfs/dbraw/zinc/60/48/42/857604842.db2.gz XGHXTCLROQTGSP-MRXNPFEDSA-N 1 0 392.381 3.881 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CCCCC)c2ccccc2)CC1 ZINC000804092579 857745354 /nfs/dbraw/zinc/74/53/54/857745354.db2.gz DTWTYKQAOAERCE-OAQYLSRUSA-N 1 0 385.552 3.581 20 30 GHEDRO C=C(Br)CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157884224 857791396 /nfs/dbraw/zinc/79/13/96/857791396.db2.gz MCDWZSGJJQIQKH-DOTOQJQBSA-N 1 0 380.330 3.590 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCCO1 ZINC000594045038 857852130 /nfs/dbraw/zinc/85/21/30/857852130.db2.gz WMFDHEXLXLEZIA-XYJFISCASA-N 1 0 375.538 3.814 20 30 GHEDRO CC(C)([C@H](NC(=O)c1ccc(C#N)nc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486549605 857865237 /nfs/dbraw/zinc/86/52/37/857865237.db2.gz OTPPHOFLZSEKPW-LJQANCHMSA-N 1 0 384.430 3.577 20 30 GHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1nccs1 ZINC000159743597 862965251 /nfs/dbraw/zinc/96/52/51/862965251.db2.gz GHKQVVZHHRQQSR-UHFFFAOYSA-N 1 0 388.562 3.847 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 ZINC000908216361 858000386 /nfs/dbraw/zinc/00/03/86/858000386.db2.gz CYVOSHHOUMTACT-CNXQINBVSA-N 1 0 382.508 3.625 20 30 GHEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCN(c2ccccc2)CC1 ZINC000439012884 858026507 /nfs/dbraw/zinc/02/65/07/858026507.db2.gz VLOBLRRUCZUIGE-UHFFFAOYSA-N 1 0 382.895 3.751 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccc(C)nc3)CC2)c(OC)c1 ZINC000543063233 858148427 /nfs/dbraw/zinc/14/84/27/858148427.db2.gz KSWKEXKDGFHFDF-QFIPXVFZSA-N 1 0 396.531 3.746 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000594430167 858174632 /nfs/dbraw/zinc/17/46/32/858174632.db2.gz ZOUXLVXEZAKISB-ZDUSSCGKSA-N 1 0 380.420 3.761 20 30 GHEDRO CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)Cc1cccc(Br)c1 ZINC000594444422 858179180 /nfs/dbraw/zinc/17/91/80/858179180.db2.gz LVOGHENEDOHPPY-YOEHRIQHSA-N 1 0 380.330 3.545 20 30 GHEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594496634 858192180 /nfs/dbraw/zinc/19/21/80/858192180.db2.gz QAPJHAIOJKXXEO-UHFFFAOYSA-N 1 0 399.560 3.605 20 30 GHEDRO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000594495579 858192414 /nfs/dbraw/zinc/19/24/14/858192414.db2.gz CJHRUXOKBSRDDZ-IBGZPJMESA-N 1 0 377.532 3.998 20 30 GHEDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594506923 858197275 /nfs/dbraw/zinc/19/72/75/858197275.db2.gz YVDNNDVPENBCIF-UONOGXRCSA-N 1 0 385.537 3.655 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000574782794 858317549 /nfs/dbraw/zinc/31/75/49/858317549.db2.gz GHBBJVWPCSCGDI-PMACEKPBSA-N 1 0 390.487 3.519 20 30 GHEDRO C=CCn1c(C2CCCC2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000521798719 858339672 /nfs/dbraw/zinc/33/96/72/858339672.db2.gz ZPPZOTYQTMSAOC-UHFFFAOYSA-N 1 0 385.478 3.975 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccnc2N2CCCC2)cc1OCCCC#N ZINC000594957004 858344822 /nfs/dbraw/zinc/34/48/22/858344822.db2.gz LQNGGLFXGFEDHQ-UHFFFAOYSA-N 1 0 380.492 3.663 20 30 GHEDRO C[C@](CO)([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000682527281 858348583 /nfs/dbraw/zinc/34/85/83/858348583.db2.gz DIPUMUGJVIBFEM-GFCCVEGCSA-N 1 0 395.290 3.717 20 30 GHEDRO N#Cc1cccc(C2([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CCOCC2)c1 ZINC000594982324 858356671 /nfs/dbraw/zinc/35/66/71/858356671.db2.gz DCUKMJIGVKHBRP-UHFFFAOYSA-N 1 0 384.863 3.778 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000455466615 858423941 /nfs/dbraw/zinc/42/39/41/858423941.db2.gz HNOQKSFTQQKDJW-UHFFFAOYSA-N 1 0 381.480 3.987 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1C(F)(F)F ZINC000595229854 858445786 /nfs/dbraw/zinc/44/57/86/858445786.db2.gz QAGZOSHGXIZZHB-OAHLLOKOSA-N 1 0 380.414 3.821 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595270870 858457693 /nfs/dbraw/zinc/45/76/93/858457693.db2.gz NLRPNMDLMWBCHW-FGZHOGPDSA-N 1 0 376.504 3.626 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000521960802 858488526 /nfs/dbraw/zinc/48/85/26/858488526.db2.gz JKFGKKGKQGNWMI-UHFFFAOYSA-N 1 0 397.429 3.576 20 30 GHEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000595414398 858524517 /nfs/dbraw/zinc/52/45/17/858524517.db2.gz CNEZBVABIYWEQZ-QFIPXVFZSA-N 1 0 391.515 3.843 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@](C)(C#N)C2)cc1 ZINC000595445043 858534395 /nfs/dbraw/zinc/53/43/95/858534395.db2.gz IEKBOOABRKQYGF-QHCPKHFHSA-N 1 0 376.504 3.860 20 30 GHEDRO Cn1cc([C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C2(CO)CCC2)cn1 ZINC000595492425 858544919 /nfs/dbraw/zinc/54/49/19/858544919.db2.gz HKWJXOUPJWFJSG-HSZRJFAPSA-N 1 0 386.499 3.952 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)NCC3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000595579930 858558583 /nfs/dbraw/zinc/55/85/83/858558583.db2.gz DGUSSTVNBQVCTK-SFTDATJTSA-N 1 0 396.535 3.746 20 30 GHEDRO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccc(CC#N)cc2)CO1 ZINC000595639425 858634720 /nfs/dbraw/zinc/63/47/20/858634720.db2.gz XWKOCFOPFWDKQO-FCHUYYIVSA-N 1 0 394.515 3.562 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595653159 858638433 /nfs/dbraw/zinc/63/84/33/858638433.db2.gz KBBCFEFBGBZMGY-RBBKRZOGSA-N 1 0 380.536 3.957 20 30 GHEDRO C=CCN1C(=O)N(C[C@@H](c2ccc(C)cc2)[NH+](C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000761128000 858649333 /nfs/dbraw/zinc/64/93/33/858649333.db2.gz XEPVREMWTCLJBB-YADHBBJMSA-N 1 0 391.515 3.659 20 30 GHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000595766156 858664125 /nfs/dbraw/zinc/66/41/25/858664125.db2.gz SOSWDHAXAGERRI-HXUWFJFHSA-N 1 0 382.483 3.881 20 30 GHEDRO CC(C)[C@@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000595775776 858684274 /nfs/dbraw/zinc/68/42/74/858684274.db2.gz YGKZNFSTUVJZPR-HSZRJFAPSA-N 1 0 391.515 3.667 20 30 GHEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000595777900 858684330 /nfs/dbraw/zinc/68/43/30/858684330.db2.gz LUBJLEUVMIYMDC-SJORKVTESA-N 1 0 375.900 3.866 20 30 GHEDRO CC1(C#N)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595836570 858690577 /nfs/dbraw/zinc/69/05/77/858690577.db2.gz WQXCSQYWVYQYTO-HXUWFJFHSA-N 1 0 380.536 3.624 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595870582 858720225 /nfs/dbraw/zinc/72/02/25/858720225.db2.gz KJTIVGJMPKBGQP-YADHBBJMSA-N 1 0 380.536 3.590 20 30 GHEDRO CC(C)(NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000596090686 858779789 /nfs/dbraw/zinc/77/97/89/858779789.db2.gz SCFPNPSGTDUTJO-IBGZPJMESA-N 1 0 380.492 3.913 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)NCC1(C#N)CCCCC1)[NH+]1CCCC1 ZINC000596092073 858780849 /nfs/dbraw/zinc/78/08/49/858780849.db2.gz JNQHDWKPEFVYKJ-IBGZPJMESA-N 1 0 384.524 3.605 20 30 GHEDRO N#Cc1cc2cccnc2nc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000596150468 858793303 /nfs/dbraw/zinc/79/33/03/858793303.db2.gz BNFAADUFASUOLT-DEOSSOPVSA-N 1 0 383.499 3.994 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000104511361 858795177 /nfs/dbraw/zinc/79/51/77/858795177.db2.gz CEWNBUSTTIYDGR-CQSZACIVSA-N 1 0 385.508 3.780 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC000593152900 858799358 /nfs/dbraw/zinc/79/93/58/858799358.db2.gz JAAUCPAGDXKILB-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596267894 858831433 /nfs/dbraw/zinc/83/14/33/858831433.db2.gz BOUQTWDOPBJFIP-UHFFFAOYSA-N 1 0 388.874 3.590 20 30 GHEDRO Cc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596293428 858838887 /nfs/dbraw/zinc/83/88/87/858838887.db2.gz CRMXVOMHPDAKAE-UHFFFAOYSA-N 1 0 375.432 3.723 20 30 GHEDRO N#Cc1ccc(NCC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000596314483 858855342 /nfs/dbraw/zinc/85/53/42/858855342.db2.gz HCSBVYCRQHMSKW-UHFFFAOYSA-N 1 0 378.314 3.624 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000596441478 858898415 /nfs/dbraw/zinc/89/84/15/858898415.db2.gz ONVRFTSGADCODD-MRXNPFEDSA-N 1 0 383.521 3.600 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1OCCCC#N ZINC000923010689 858944892 /nfs/dbraw/zinc/94/48/92/858944892.db2.gz YTAYPTBUWKHEIO-UHGJSFDGSA-N 1 0 380.488 3.560 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000596656328 858976086 /nfs/dbraw/zinc/97/60/86/858976086.db2.gz BGCRPGDCTLWJMU-QGZVFWFLSA-N 1 0 379.464 3.740 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596672507 858985717 /nfs/dbraw/zinc/98/57/17/858985717.db2.gz BMWSIOMEKRXGOQ-UHFFFAOYSA-N 1 0 384.549 3.716 20 30 GHEDRO CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H]1CC[N@H+](CC)C1 ZINC000596683883 859003834 /nfs/dbraw/zinc/00/38/34/859003834.db2.gz PALDJILVFYVWCI-GOSISDBHSA-N 1 0 379.464 3.694 20 30 GHEDRO CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H]1CC[N@H+](CC)C1 ZINC000596683884 859003889 /nfs/dbraw/zinc/00/38/89/859003889.db2.gz PALDJILVFYVWCI-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000499694691 859010935 /nfs/dbraw/zinc/01/09/35/859010935.db2.gz QYMULWLEFMYWSA-LJQANCHMSA-N 1 0 381.476 3.725 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCNC(=O)CC2CCCCC2)c(-c2ccccc2)n1 ZINC000113354776 859017706 /nfs/dbraw/zinc/01/77/06/859017706.db2.gz MDAOTRNXJVJYIG-UHFFFAOYSA-N 1 0 393.535 3.640 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000522321855 859043963 /nfs/dbraw/zinc/04/39/63/859043963.db2.gz OGECCFWHOQUVHH-GOSISDBHSA-N 1 0 377.488 3.599 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCCNc1ccccn1 ZINC000738430180 859056516 /nfs/dbraw/zinc/05/65/16/859056516.db2.gz LNNUHGACGKVTPL-UHFFFAOYSA-N 1 0 388.309 3.838 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000185585001 859098149 /nfs/dbraw/zinc/09/81/49/859098149.db2.gz UUAHAOLPHILPSV-RXVVDRJESA-N 1 0 377.488 3.704 20 30 GHEDRO C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(F)c(C#N)c(F)c3)n2)C1 ZINC000596895606 859133231 /nfs/dbraw/zinc/13/32/31/859133231.db2.gz SSOLULUESZFSRS-NSHDSACASA-N 1 0 376.432 3.777 20 30 GHEDRO COc1cccc(NC(=[NH2+])NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC000187132337 859176016 /nfs/dbraw/zinc/17/60/16/859176016.db2.gz UMFUCWCXBHNWAW-UHFFFAOYSA-N 1 0 396.491 3.873 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000187132428 859176088 /nfs/dbraw/zinc/17/60/88/859176088.db2.gz NUQODMALZWFRBS-UHFFFAOYSA-N 1 0 396.491 3.873 20 30 GHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cccc21 ZINC000509363585 859179607 /nfs/dbraw/zinc/17/96/07/859179607.db2.gz BGOCDVAOUZMZQL-HNNXBMFYSA-N 1 0 390.365 3.610 20 30 GHEDRO [NH2+]=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000187134066 859194786 /nfs/dbraw/zinc/19/47/86/859194786.db2.gz GXYOBOKAYKVNCQ-IINYFYTJSA-N 1 0 399.335 3.795 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000596973918 859204766 /nfs/dbraw/zinc/20/47/66/859204766.db2.gz MSLRBONJOJGNGC-UYAOXDASSA-N 1 0 375.463 3.664 20 30 GHEDRO COc1ccc([C@@H]2C[C@H]2CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000596975933 859206559 /nfs/dbraw/zinc/20/65/59/859206559.db2.gz YHFIMGAEPSVVHH-GMAHTHKFSA-N 1 0 391.515 3.651 20 30 GHEDRO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000596982685 859211318 /nfs/dbraw/zinc/21/13/18/859211318.db2.gz FJXQZFMUQDMUTL-HXUWFJFHSA-N 1 0 393.531 3.680 20 30 GHEDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596999665 859237902 /nfs/dbraw/zinc/23/79/02/859237902.db2.gz HPIMNIGPVZVNCW-UHFFFAOYSA-N 1 0 398.528 3.546 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597015213 859252119 /nfs/dbraw/zinc/25/21/19/859252119.db2.gz YJNUMDAHUGJUKV-KRWDZBQOSA-N 1 0 393.453 3.865 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1F ZINC000597062591 859258454 /nfs/dbraw/zinc/25/84/54/859258454.db2.gz WVNVVFPGPQBQTI-UHFFFAOYSA-N 1 0 383.442 3.617 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000522390259 859324087 /nfs/dbraw/zinc/32/40/87/859324087.db2.gz ZVAQJYKSVYAGPV-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO CC(C)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593304606 859339446 /nfs/dbraw/zinc/33/94/46/859339446.db2.gz SNBGZBCNZGHJBA-UHFFFAOYSA-N 1 0 390.531 3.800 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000069202970 859386323 /nfs/dbraw/zinc/38/63/23/859386323.db2.gz HAGPOWSWJVRBHS-UHFFFAOYSA-N 1 0 376.460 3.910 20 30 GHEDRO Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593318088 859400131 /nfs/dbraw/zinc/40/01/31/859400131.db2.gz VBDJXUBQJCALQC-HSZRJFAPSA-N 1 0 388.515 3.818 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cs1 ZINC000895406225 859407627 /nfs/dbraw/zinc/40/76/27/859407627.db2.gz VXEWGQOYWFQEDV-OAHLLOKOSA-N 1 0 385.455 3.633 20 30 GHEDRO C=C(C)C[C@H](C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000466430283 859463247 /nfs/dbraw/zinc/46/32/47/859463247.db2.gz DRIXLGNPJOMFMM-HNNXBMFYSA-N 1 0 383.458 3.676 20 30 GHEDRO Cc1cccc2c1CC[C@H]2NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593338899 859469370 /nfs/dbraw/zinc/46/93/70/859469370.db2.gz NHNNEADRBKYWLK-HSZRJFAPSA-N 1 0 388.515 3.818 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000601744367 859519092 /nfs/dbraw/zinc/51/90/92/859519092.db2.gz KXJOTQVJOGHNTC-UHFFFAOYSA-N 1 0 383.536 3.974 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(Cc4ccccc4F)CC3)CC2)c1 ZINC000593350187 859522825 /nfs/dbraw/zinc/52/28/25/859522825.db2.gz CCAKNOFNKOYMIP-UHFFFAOYSA-N 1 0 391.490 3.801 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC2CC2)cc1 ZINC000597421665 859523730 /nfs/dbraw/zinc/52/37/30/859523730.db2.gz KCURNASOLPDZPG-UHFFFAOYSA-N 1 0 390.535 3.681 20 30 GHEDRO CC[C@@H]1CCCC[C@@H]1OCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593350728 859524803 /nfs/dbraw/zinc/52/48/03/859524803.db2.gz FAXIMECFCFTOEB-IRLDBZIGSA-N 1 0 383.536 3.624 20 30 GHEDRO CC[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(OC)cc1 ZINC000593350704 859524848 /nfs/dbraw/zinc/52/48/48/859524848.db2.gz DPVMPKKVGSWAHJ-QHCPKHFHSA-N 1 0 391.515 3.841 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)n2CC2CC2)c1 ZINC000597426826 859528774 /nfs/dbraw/zinc/52/87/74/859528774.db2.gz PKWQIAFERXJMDZ-UHFFFAOYSA-N 1 0 398.514 3.549 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597427014 859528989 /nfs/dbraw/zinc/52/89/89/859528989.db2.gz RLUGLCBPZHLXKH-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO CC[C@@H](Oc1cccc(C)c1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352826 859537126 /nfs/dbraw/zinc/53/71/26/859537126.db2.gz FGAJBDMNXPWUBB-HSZRJFAPSA-N 1 0 391.515 3.805 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000483698409 859550503 /nfs/dbraw/zinc/55/05/03/859550503.db2.gz LAFOKARRRPSPRS-YJBOKZPZSA-N 1 0 381.442 3.571 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000764698616 859572204 /nfs/dbraw/zinc/57/22/04/859572204.db2.gz BEGYJEVSGUWHSE-GBXCKJPGSA-N 1 0 378.516 3.731 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1OC ZINC000466474634 859663451 /nfs/dbraw/zinc/66/34/51/859663451.db2.gz QMANJXAODVUYKH-PXNSSMCTSA-N 1 0 380.488 3.539 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)CC1 ZINC000483881180 859675101 /nfs/dbraw/zinc/67/51/01/859675101.db2.gz JITANLJGGBLYQN-UHFFFAOYSA-N 1 0 395.503 3.659 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ncc(-c4ccccc4)s3)CC2)nc1 ZINC000611292738 859685380 /nfs/dbraw/zinc/68/53/80/859685380.db2.gz PQPXZRRXPRMKID-UHFFFAOYSA-N 1 0 375.501 3.835 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000611323562 859697163 /nfs/dbraw/zinc/69/71/63/859697163.db2.gz WLVSIYDRSCRWPJ-IRXDYDNUSA-N 1 0 392.565 3.562 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1cccc(C#N)c1 ZINC000611389304 859733152 /nfs/dbraw/zinc/73/31/52/859733152.db2.gz ZQJVGDVLQZQEFZ-CQSZACIVSA-N 1 0 386.293 3.630 20 30 GHEDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391643 859734883 /nfs/dbraw/zinc/73/48/83/859734883.db2.gz LLARNXDIPNRZKY-HXUWFJFHSA-N 1 0 397.544 3.802 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000611392450 859734982 /nfs/dbraw/zinc/73/49/82/859734982.db2.gz RFBOWJQMVHSWKI-JOCHJYFZSA-N 1 0 395.528 3.510 20 30 GHEDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391642 859735106 /nfs/dbraw/zinc/73/51/06/859735106.db2.gz LLARNXDIPNRZKY-FQEVSTJZSA-N 1 0 397.544 3.802 20 30 GHEDRO CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611394459 859735775 /nfs/dbraw/zinc/73/57/75/859735775.db2.gz KDUTXGXZRVEWQL-JOCHJYFZSA-N 1 0 378.472 3.710 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000611391375 859741441 /nfs/dbraw/zinc/74/14/41/859741441.db2.gz KCJZKOYNZWFAJU-JTHBVZDNSA-N 1 0 389.499 3.634 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000611413847 859746632 /nfs/dbraw/zinc/74/66/32/859746632.db2.gz ZTWZPRROIJHDQJ-HXUWFJFHSA-N 1 0 381.907 3.832 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000543449611 859760574 /nfs/dbraw/zinc/76/05/74/859760574.db2.gz NSRDNIVVPRDURW-UHFFFAOYSA-N 1 0 376.504 3.775 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1c(C)nn(C)c1C ZINC000543454808 859768046 /nfs/dbraw/zinc/76/80/46/859768046.db2.gz JPENJPDMSJJJSL-KRWDZBQOSA-N 1 0 399.564 3.918 20 30 GHEDRO C=CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1OC ZINC000765248351 859864716 /nfs/dbraw/zinc/86/47/16/859864716.db2.gz WNTJPAMIPOQFCG-DYESRHJHSA-N 1 0 394.515 3.683 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091885452 859952798 /nfs/dbraw/zinc/95/27/98/859952798.db2.gz ALSCCNBRKIQOQO-UHFFFAOYSA-N 1 0 381.451 3.707 20 30 GHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@H]([NH+]3CCCC3)C2)c1=S ZINC000727170539 859982538 /nfs/dbraw/zinc/98/25/38/859982538.db2.gz XVDXUBYMFUNUTP-SFHVURJKSA-N 1 0 387.528 3.534 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)CC1 ZINC000727170979 859982656 /nfs/dbraw/zinc/98/26/56/859982656.db2.gz JCTAVEGPGCHRCD-UHFFFAOYSA-N 1 0 377.275 3.667 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000123518134 859988074 /nfs/dbraw/zinc/98/80/74/859988074.db2.gz FUJHSLHYMVSQNT-UHFFFAOYSA-N 1 0 380.448 3.575 20 30 GHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508919121 860012041 /nfs/dbraw/zinc/01/20/41/860012041.db2.gz PMPSKPBXODHDMU-WIYYLYMNSA-N 1 0 395.526 3.647 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)cc1 ZINC000474418221 860018597 /nfs/dbraw/zinc/01/85/97/860018597.db2.gz UOKJKJZSDHIFBQ-AWEZNQCLSA-N 1 0 381.480 3.584 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c(-c2ccccc2)n1 ZINC000922465615 860032741 /nfs/dbraw/zinc/03/27/41/860032741.db2.gz ZEQIOQWSOPLLHA-SJORKVTESA-N 1 0 378.398 3.663 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@H]3C3CCCC3)CC2)c1 ZINC000593511460 860072950 /nfs/dbraw/zinc/07/29/50/860072950.db2.gz ZMNBDXBKBXTSRA-QFIPXVFZSA-N 1 0 380.536 3.887 20 30 GHEDRO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513606 860079550 /nfs/dbraw/zinc/07/95/50/860079550.db2.gz LURWWCXZSIPDLR-KDOFPFPSSA-N 1 0 394.441 3.505 20 30 GHEDRO C#CCN(C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC000922499904 860095356 /nfs/dbraw/zinc/09/53/56/860095356.db2.gz NZXABFMQZMFATN-GOSISDBHSA-N 1 0 392.503 3.674 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000593514452 860103658 /nfs/dbraw/zinc/10/36/58/860103658.db2.gz AUYMIVZRZNMQMY-UHFFFAOYSA-N 1 0 384.411 3.691 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC000598195739 860123736 /nfs/dbraw/zinc/12/37/36/860123736.db2.gz RGHKITNKYUOYNS-GOTSBHOMSA-N 1 0 375.516 3.534 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3c4c(ccc3[N+](=O)[O-])NCC4)CC2)c1 ZINC000593515611 860123921 /nfs/dbraw/zinc/12/39/21/860123921.db2.gz OJCSNBOCZZYDMO-UHFFFAOYSA-N 1 0 377.448 3.511 20 30 GHEDRO Cc1ccc(-c2noc(C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)c(OC2CCCC2)c1 ZINC000904104004 860128236 /nfs/dbraw/zinc/12/82/36/860128236.db2.gz JXPFPYMXCFUKDB-JXORXQGFSA-N 1 0 378.476 3.973 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000598195975 860139697 /nfs/dbraw/zinc/13/96/97/860139697.db2.gz YCLNJFZESYVVSC-QFIPXVFZSA-N 1 0 375.516 3.877 20 30 GHEDRO CCN(CC)c1ncc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)s1 ZINC000092854383 860147081 /nfs/dbraw/zinc/14/70/81/860147081.db2.gz LJQPBSWWUKXJOT-UHFFFAOYSA-N 1 0 385.537 3.736 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1OCC ZINC000544365352 860199846 /nfs/dbraw/zinc/19/98/46/860199846.db2.gz HSUFQHBVGONCRK-ZMSDIMECSA-N 1 0 396.325 3.615 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000484648300 860221627 /nfs/dbraw/zinc/22/16/27/860221627.db2.gz ZZDYDHDBORALMH-UNWVZKJWSA-N 1 0 380.488 3.586 20 30 GHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508954842 860238132 /nfs/dbraw/zinc/23/81/32/860238132.db2.gz YVMMKROZZIKOMT-FUHWJXTLSA-N 1 0 383.565 3.954 20 30 GHEDRO N#Cc1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cnc1C(F)(F)F ZINC000555222907 860262800 /nfs/dbraw/zinc/26/28/00/860262800.db2.gz INGBGCBXBBBWSW-QGZVFWFLSA-N 1 0 388.393 3.539 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000602827478 860302231 /nfs/dbraw/zinc/30/22/31/860302231.db2.gz NWRCRCLPGUKBFD-UHFFFAOYSA-N 1 0 378.423 3.642 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000598543140 860373570 /nfs/dbraw/zinc/37/35/70/860373570.db2.gz QWRIVGOUBXLBQB-UHFFFAOYSA-N 1 0 393.487 3.582 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000783532653 860409380 /nfs/dbraw/zinc/40/93/80/860409380.db2.gz SSRYXNLZERFXJS-MRXNPFEDSA-N 1 0 377.481 3.656 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000552271243 860414350 /nfs/dbraw/zinc/41/43/50/860414350.db2.gz ZBCZLPILEYMZPX-MISYRCLQSA-N 1 0 381.476 3.648 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000603011028 860424567 /nfs/dbraw/zinc/42/45/67/860424567.db2.gz PYJSUEWPYYBHBL-UHFFFAOYSA-N 1 0 391.313 3.803 20 30 GHEDRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593924 860437160 /nfs/dbraw/zinc/43/71/60/860437160.db2.gz CUBDUEUVOSFOOZ-SFTDATJTSA-N 1 0 386.536 3.736 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c(-c2ccc(C#N)cc2)n1 ZINC000922694108 860468224 /nfs/dbraw/zinc/46/82/24/860468224.db2.gz BTMGUQGPMZATJX-IAGOWNOFSA-N 1 0 378.398 3.548 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c(-c2ccc(C#N)cc2)n1 ZINC000922694112 860468301 /nfs/dbraw/zinc/46/83/01/860468301.db2.gz BTMGUQGPMZATJX-SJORKVTESA-N 1 0 378.398 3.548 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2C)[NH+]2CCCCC2)cc1 ZINC000509017361 860550596 /nfs/dbraw/zinc/55/05/96/860550596.db2.gz UOOJAKSGTXGWSV-JOCHJYFZSA-N 1 0 377.488 3.832 20 30 GHEDRO C[NH+](C)Cc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000155652613 860568087 /nfs/dbraw/zinc/56/80/87/860568087.db2.gz NQKKMAASJSQTRI-UHFFFAOYSA-N 1 0 376.485 3.919 20 30 GHEDRO CCOC[C@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)Cc2cnn(C)c21 ZINC001170381188 881556726 /nfs/dbraw/zinc/55/67/26/881556726.db2.gz KAIPMMFLIDDBOW-VWRAKTAISA-N 1 0 378.520 3.760 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000155653656 860568119 /nfs/dbraw/zinc/56/81/19/860568119.db2.gz VKZTVLZGQINUGR-AZUAARDMSA-N 1 0 383.442 3.530 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000155810656 860612100 /nfs/dbraw/zinc/61/21/00/860612100.db2.gz RTTFGFAIUIOZBR-IBGZPJMESA-N 1 0 393.453 3.717 20 30 GHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000125386869 860653747 /nfs/dbraw/zinc/65/37/47/860653747.db2.gz NSYDZFIJQPQQQX-NRFANRHFSA-N 1 0 396.491 3.829 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000170774454 860691802 /nfs/dbraw/zinc/69/18/02/860691802.db2.gz GOASPHVDWHYTCA-UHFFFAOYSA-N 1 0 377.488 3.573 20 30 GHEDRO CN(C)c1c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)ccc(F)c1F ZINC000598975336 860709963 /nfs/dbraw/zinc/70/99/63/860709963.db2.gz XDIAVKMZVXMLOA-UHFFFAOYSA-N 1 0 386.446 3.777 20 30 GHEDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000603434101 860712408 /nfs/dbraw/zinc/71/24/08/860712408.db2.gz ZSUZWYDIXKSPJP-FCHUYYIVSA-N 1 0 387.487 3.903 20 30 GHEDRO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593687774 860820235 /nfs/dbraw/zinc/82/02/35/860820235.db2.gz NIOZIXSKDWWFES-UHFFFAOYSA-N 1 0 375.476 3.604 20 30 GHEDRO C[C@H]1CN(CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000237614347 881586832 /nfs/dbraw/zinc/58/68/32/881586832.db2.gz BOQQEZNESBCGQK-PMACEKPBSA-N 1 0 393.531 3.726 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000593693098 860866281 /nfs/dbraw/zinc/86/62/81/860866281.db2.gz OWQDIYNOZPYYFH-YWEYNIOJSA-N 1 0 376.460 3.734 20 30 GHEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593702373 860928333 /nfs/dbraw/zinc/92/83/33/860928333.db2.gz LWPZYEOUSGCFMJ-IBGZPJMESA-N 1 0 390.531 3.838 20 30 GHEDRO CON=Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000730235724 860958770 /nfs/dbraw/zinc/95/87/70/860958770.db2.gz LOLCOHVYEXKWCR-UHFFFAOYSA-N 1 0 399.922 3.962 20 30 GHEDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cnn1C1CCOCC1 ZINC000329034711 860964737 /nfs/dbraw/zinc/96/47/37/860964737.db2.gz MLEJJYTXQFPMMT-VQIMIIECSA-N 1 0 382.508 3.683 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+](Cc2cccs2)Cc2cccs2)CCOCC1 ZINC000599249956 860978592 /nfs/dbraw/zinc/97/85/92/860978592.db2.gz IVWCUQFJGPUQPQ-INIZCTEOSA-N 1 0 376.547 3.883 20 30 GHEDRO COc1ncc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1Cl ZINC000593719276 860979112 /nfs/dbraw/zinc/97/91/12/860979112.db2.gz AWOFBJIZGKUNJN-OAHLLOKOSA-N 1 0 384.911 3.930 20 30 GHEDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000329057722 860981524 /nfs/dbraw/zinc/98/15/24/860981524.db2.gz TURMTSFYFWKFMU-FBPBVXOASA-N 1 0 386.536 3.663 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000599280282 861005527 /nfs/dbraw/zinc/00/55/27/861005527.db2.gz DRIGTZRHWRKWRU-QGZVFWFLSA-N 1 0 378.394 3.842 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc4ccn(C)c(=O)c4c3)CC2)CC1 ZINC000329097152 861014575 /nfs/dbraw/zinc/01/45/75/861014575.db2.gz YLTHHCLLAKIMKC-UHFFFAOYSA-N 1 0 396.535 3.908 20 30 GHEDRO COc1ccc(CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC(C)(C)C)cc1 ZINC000599297318 861037875 /nfs/dbraw/zinc/03/78/75/861037875.db2.gz WKLNHYRRUIWAED-FQEVSTJZSA-N 1 0 388.552 3.657 20 30 GHEDRO C=CCOc1cccc(C[N@@H+](CC=C)[C@@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000537629601 881606670 /nfs/dbraw/zinc/60/66/70/881606670.db2.gz QDMHIXYWXGDYLS-SFHVURJKSA-N 1 0 375.476 3.976 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000599313348 861053178 /nfs/dbraw/zinc/05/31/78/861053178.db2.gz IUMBNYSTLZXHLK-VQTJNVASSA-N 1 0 375.472 3.659 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185600463 861054125 /nfs/dbraw/zinc/05/41/25/861054125.db2.gz SOURIBAUFCLBAQ-KXBFYZLASA-N 1 0 383.879 3.741 20 30 GHEDRO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000329134403 861054495 /nfs/dbraw/zinc/05/44/95/861054495.db2.gz BQVXCMPFHDWTMC-YFVAEKQCSA-N 1 0 383.536 3.880 20 30 GHEDRO Cc1nc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000603701230 861060896 /nfs/dbraw/zinc/06/08/96/861060896.db2.gz RQXCQWJFWOZFHH-IRXDYDNUSA-N 1 0 376.504 3.670 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000072975005 861078313 /nfs/dbraw/zinc/07/83/13/861078313.db2.gz UGFBIHSBMVMGPA-NHCUHLMSSA-N 1 0 382.552 3.520 20 30 GHEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000329159084 861079156 /nfs/dbraw/zinc/07/91/56/861079156.db2.gz DBZOHUPRIOYWHA-IMJJTQAJSA-N 1 0 378.542 3.542 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)CCOCC1 ZINC000599348569 861085911 /nfs/dbraw/zinc/08/59/11/861085911.db2.gz AAWUMBYBLKIXME-CTNGQTDRSA-N 1 0 398.478 3.607 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614720893 861092958 /nfs/dbraw/zinc/09/29/58/861092958.db2.gz FJMPFQLQHIFYCO-JOCHJYFZSA-N 1 0 382.504 3.556 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000599362092 861129115 /nfs/dbraw/zinc/12/91/15/861129115.db2.gz MGQVIHFBTYFZRV-QUCCMNQESA-N 1 0 378.451 3.561 20 30 GHEDRO Cc1nc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)s1 ZINC000329214919 861152609 /nfs/dbraw/zinc/15/26/09/861152609.db2.gz LWUAMWGYRSLHMM-ZWKOTPCHSA-N 1 0 393.601 3.574 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc1OC ZINC000623538789 861176531 /nfs/dbraw/zinc/17/65/31/861176531.db2.gz UVNPZHXVEYMEIO-UHFFFAOYSA-N 1 0 380.916 3.794 20 30 GHEDRO Cc1noc([C@@H]2CCCCN2C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC000329234225 861180047 /nfs/dbraw/zinc/18/00/47/861180047.db2.gz HMUQXZHIXVYRBQ-ZWKOTPCHSA-N 1 0 377.533 3.576 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCOCC1 ZINC000599414741 861185054 /nfs/dbraw/zinc/18/50/54/861185054.db2.gz HPJXTTNQPQFRRR-AEFFLSMTSA-N 1 0 398.425 3.697 20 30 GHEDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)ccc1OCc1cccc(C#N)c1 ZINC000159874603 863121513 /nfs/dbraw/zinc/12/15/13/863121513.db2.gz VFEBKCIHNKXTNE-RTWAWAEBSA-N 1 0 380.488 3.739 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000182288539 863177076 /nfs/dbraw/zinc/17/70/76/863177076.db2.gz GNASZYUSXILGOQ-CQSZACIVSA-N 1 0 385.851 3.666 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439664900 863181160 /nfs/dbraw/zinc/18/11/60/863181160.db2.gz PTIOECZSMBWPSX-KRWDZBQOSA-N 1 0 394.523 3.692 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000733800427 863191982 /nfs/dbraw/zinc/19/19/82/863191982.db2.gz ZYIJLZLDYMPASE-PKOBYXMFSA-N 1 0 386.521 3.531 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000733800424 863192087 /nfs/dbraw/zinc/19/20/87/863192087.db2.gz ZYIJLZLDYMPASE-HKUYNNGSSA-N 1 0 386.521 3.531 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000733801544 863193362 /nfs/dbraw/zinc/19/33/62/863193362.db2.gz JAJWIMXRAGEFPJ-IEBWSBKVSA-N 1 0 386.540 3.677 20 30 GHEDRO C=CCCC[N@@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000605743181 863240747 /nfs/dbraw/zinc/24/07/47/863240747.db2.gz YCQHQHQJTSUTIF-UHFFFAOYSA-N 1 0 386.517 3.951 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000482521090 863254496 /nfs/dbraw/zinc/25/44/96/863254496.db2.gz YWFLOLWOLQNGCT-UHFFFAOYSA-N 1 0 386.927 3.582 20 30 GHEDRO C=CCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(Cl)s1 ZINC000557053210 881641675 /nfs/dbraw/zinc/64/16/75/881641675.db2.gz UXLXZRISLVGENZ-GOSISDBHSA-N 1 0 391.968 3.809 20 30 GHEDRO CC[C@H](Oc1cccc(C)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000487461334 863618436 /nfs/dbraw/zinc/61/84/36/863618436.db2.gz AIYNLXKIMIWPSW-QFIPXVFZSA-N 1 0 379.504 3.615 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000594024540 863763626 /nfs/dbraw/zinc/76/36/26/863763626.db2.gz NYRQTBGCBVIKAC-NBGIEHNGSA-N 1 0 387.527 3.861 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733993174 863908007 /nfs/dbraw/zinc/90/80/07/863908007.db2.gz ZMSZQPNKCSTLQQ-SONCPKABSA-N 1 0 399.416 3.981 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733993168 863908687 /nfs/dbraw/zinc/90/86/87/863908687.db2.gz ZMSZQPNKCSTLQQ-JRMCHAMMSA-N 1 0 399.416 3.981 20 30 GHEDRO C=CCCCCC[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000606902284 863926773 /nfs/dbraw/zinc/92/67/73/863926773.db2.gz VIYGLNCPDBSRDK-KRWDZBQOSA-N 1 0 397.441 3.971 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000158968095 864000427 /nfs/dbraw/zinc/00/04/27/864000427.db2.gz QKNQHZMEGZPKAP-OAQYLSRUSA-N 1 0 396.579 3.910 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103475091 864000559 /nfs/dbraw/zinc/00/05/59/864000559.db2.gz DZSQLDKWGCESMM-SFHVURJKSA-N 1 0 393.535 3.672 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000554266751 864014806 /nfs/dbraw/zinc/01/48/06/864014806.db2.gz ZLCUQOAJDDIDLY-HNAYVOBHSA-N 1 0 394.357 3.547 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000554266752 864015083 /nfs/dbraw/zinc/01/50/83/864015083.db2.gz ZLCUQOAJDDIDLY-KXBFYZLASA-N 1 0 394.357 3.547 20 30 GHEDRO Cc1ccc(NC(=S)NN=C2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1C ZINC000734363166 864176644 /nfs/dbraw/zinc/17/66/44/864176644.db2.gz VUAZNYCQFURQDP-QGZVFWFLSA-N 1 0 381.549 3.883 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](/N=C/c2cc(Br)ccc2O)[C@@H](C)C1 ZINC000734366467 864180098 /nfs/dbraw/zinc/18/00/98/864180098.db2.gz SULDSSUUDZKCMV-FGLKXHMRSA-N 1 0 383.330 3.711 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC000856780138 881741650 /nfs/dbraw/zinc/74/16/50/881741650.db2.gz JHZAPSHRVSIRSJ-WCQYABFASA-N 1 0 399.800 3.716 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1csc2ccccc21 ZINC000508791812 864234588 /nfs/dbraw/zinc/23/45/88/864234588.db2.gz OBYBTPQSPMTCTA-UHFFFAOYSA-N 1 0 399.541 3.525 20 30 GHEDRO CC1CCC([NH+]2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC2)CC1 ZINC000734488766 864252897 /nfs/dbraw/zinc/25/28/97/864252897.db2.gz MLMYXUYGAZDNDB-DAWZGUTISA-N 1 0 396.560 3.669 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)ccc1OC ZINC000237428209 864354756 /nfs/dbraw/zinc/35/47/56/864354756.db2.gz ZUZCMNCKQNSKLT-QFIPXVFZSA-N 1 0 396.531 3.641 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCSC1 ZINC000480281476 864417903 /nfs/dbraw/zinc/41/79/03/864417903.db2.gz WRWUORKHHOAJSE-JOCHJYFZSA-N 1 0 395.528 3.712 20 30 GHEDRO [NH2+]=C(NCc1c(F)cccc1OC(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000262441991 864439164 /nfs/dbraw/zinc/43/91/64/864439164.db2.gz HUWZXHRGAFFUBD-UHFFFAOYSA-N 1 0 381.354 3.515 20 30 GHEDRO [NH2+]=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)Nc1cccc2c1CCCC2 ZINC000262446136 864448168 /nfs/dbraw/zinc/44/81/68/864448168.db2.gz ISFGATHPDJJHLS-OAQYLSRUSA-N 1 0 392.503 3.610 20 30 GHEDRO CC[C@H](C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262450554 864488121 /nfs/dbraw/zinc/48/81/21/864488121.db2.gz VWFXZDQQGQYIPL-RBUKOAKNSA-N 1 0 397.629 3.602 20 30 GHEDRO C[C@@]12CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]1C2(Cl)Cl ZINC000792906866 881793798 /nfs/dbraw/zinc/79/37/98/881793798.db2.gz OHIBYEIDONDYKM-WMLDXEAASA-N 1 0 398.359 3.953 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309876 864734482 /nfs/dbraw/zinc/73/44/82/864734482.db2.gz MMLMVAXNGMHUFR-HOTGVXAUSA-N 1 0 377.916 3.759 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)CC1 ZINC000667682756 864749540 /nfs/dbraw/zinc/74/95/40/864749540.db2.gz VZEOAZOOWUDFBD-UHFFFAOYSA-N 1 0 377.901 3.630 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168063379 864929972 /nfs/dbraw/zinc/92/99/72/864929972.db2.gz AMEBLKMIMOWATJ-SFHLNBCPSA-N 1 0 385.552 3.805 20 30 GHEDRO CC(C)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC000735872775 865020049 /nfs/dbraw/zinc/02/00/49/865020049.db2.gz VTBWBUBGSOJMNR-JOCHJYFZSA-N 1 0 397.494 3.764 20 30 GHEDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000792937527 881828887 /nfs/dbraw/zinc/82/88/87/881828887.db2.gz YBGOLNDXRAJCFR-DNVCBOLYSA-N 1 0 386.879 3.752 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)c1ccc(C#N)cc1 ZINC000554849174 865037738 /nfs/dbraw/zinc/03/77/38/865037738.db2.gz VTNCTJSTDSUYCM-KRWDZBQOSA-N 1 0 377.488 3.847 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)c2)CC1 ZINC000184932274 865053861 /nfs/dbraw/zinc/05/38/61/865053861.db2.gz GNGCDQRZMDJLAT-KRWDZBQOSA-N 1 0 393.491 3.763 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H](O)c1ccc(C)cc1 ZINC000173832780 865093458 /nfs/dbraw/zinc/09/34/58/865093458.db2.gz OFHQDJCULMSMLI-IBGZPJMESA-N 1 0 397.544 3.801 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000554929657 865189044 /nfs/dbraw/zinc/18/90/44/865189044.db2.gz DDFYLWOFEDZHBW-UHFFFAOYSA-N 1 0 388.519 3.547 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)c3)cc2)C[C@@H](C)O1 ZINC000455956067 865210503 /nfs/dbraw/zinc/21/05/03/865210503.db2.gz XKLZBLHFIRXJLS-QZTJIDSGSA-N 1 0 392.503 3.684 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)CC1 ZINC000171742036 865351293 /nfs/dbraw/zinc/35/12/93/865351293.db2.gz OQNYNOFDIRCGCQ-UHFFFAOYSA-N 1 0 385.537 3.636 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000594220649 865449556 /nfs/dbraw/zinc/44/95/56/865449556.db2.gz VSDWUKSBSUOBKG-NOTZXAQLSA-N 1 0 386.499 3.779 20 30 GHEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000738318196 865529921 /nfs/dbraw/zinc/52/99/21/865529921.db2.gz PQPWONOXVJTKQU-OAHLLOKOSA-N 1 0 381.867 3.665 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnc3ccc(Cl)cn23)ccc1OC ZINC000738429708 865539563 /nfs/dbraw/zinc/53/95/63/865539563.db2.gz COYVFRYWLHOJFR-KRWDZBQOSA-N 1 0 384.867 3.967 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594255782 865621091 /nfs/dbraw/zinc/62/10/91/865621091.db2.gz IARLOUJYUNRGHK-FXAWDEMLSA-N 1 0 381.545 3.827 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1C#N ZINC000174334845 865717280 /nfs/dbraw/zinc/71/72/80/865717280.db2.gz IPWINBUBALHBGW-KRWDZBQOSA-N 1 0 392.503 3.674 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000608812390 865718343 /nfs/dbraw/zinc/71/83/43/865718343.db2.gz SKCINLZKRZNWPL-UHFFFAOYSA-N 1 0 395.503 3.972 20 30 GHEDRO COc1ccc2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)sc2c1 ZINC000186445093 865724097 /nfs/dbraw/zinc/72/40/97/865724097.db2.gz ZLINZSUKYGRLCB-UHFFFAOYSA-N 1 0 392.528 3.884 20 30 GHEDRO N#CCCC1CC[NH+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000567609403 865761422 /nfs/dbraw/zinc/76/14/22/865761422.db2.gz GVIVERYSYYNILY-GOSISDBHSA-N 1 0 377.435 3.799 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000555247639 865784505 /nfs/dbraw/zinc/78/45/05/865784505.db2.gz GAKBKGNJEZVRMD-PKOBYXMFSA-N 1 0 375.561 3.508 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000555269794 865806702 /nfs/dbraw/zinc/80/67/02/865806702.db2.gz QUJHFQQKVJNHRF-KRWDZBQOSA-N 1 0 399.514 3.665 20 30 GHEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000739990143 865820640 /nfs/dbraw/zinc/82/06/40/865820640.db2.gz KWABMGPFNGSBEX-NRFANRHFSA-N 1 0 397.906 3.680 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000174468684 865828258 /nfs/dbraw/zinc/82/82/58/865828258.db2.gz GJIPOFZODJVKJJ-HXUWFJFHSA-N 1 0 396.922 3.975 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000173780556 865840169 /nfs/dbraw/zinc/84/01/69/865840169.db2.gz NESJFVFMYABGHZ-OAQYLSRUSA-N 1 0 392.503 3.987 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)cc1OCCCC#N ZINC000174511766 865857523 /nfs/dbraw/zinc/85/75/23/865857523.db2.gz OQUHFAGPUYIWSQ-FQEVSTJZSA-N 1 0 393.487 3.581 20 30 GHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594335442 865874680 /nfs/dbraw/zinc/87/46/80/865874680.db2.gz OKIURIQIZJFGFC-FDDCHVKYSA-N 1 0 391.515 3.699 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccccc3C)CC2)c(C#N)c1C ZINC000609040036 865914800 /nfs/dbraw/zinc/91/48/00/865914800.db2.gz RIDKPNSUZIRIMF-SFHVURJKSA-N 1 0 394.519 3.611 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481188699 865966999 /nfs/dbraw/zinc/96/69/99/865966999.db2.gz IKOGWNAWMPSWGF-OAHLLOKOSA-N 1 0 390.447 3.616 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000456204567 866251441 /nfs/dbraw/zinc/25/14/41/866251441.db2.gz OTXHGJRQEQNGQV-UHFFFAOYSA-N 1 0 379.504 3.987 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)cc(OC)c1O ZINC000153271605 866318729 /nfs/dbraw/zinc/31/87/29/866318729.db2.gz USZICTQMDZZUIN-UHFFFAOYSA-N 1 0 394.515 3.832 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000303984535 866436983 /nfs/dbraw/zinc/43/69/83/866436983.db2.gz SDXBOHRBGMCEKD-QGZVFWFLSA-N 1 0 397.397 3.833 20 30 GHEDRO Cc1ccc(-n2c(N=NC3CC[N@H+](C)[C@@H](C)C3)nc3ccccc3c2=O)c(C)c1 ZINC000741461811 866529434 /nfs/dbraw/zinc/52/94/34/866529434.db2.gz CRRCDIQDCXPVFZ-KRWDZBQOSA-N 1 0 389.503 3.885 20 30 GHEDRO COc1cccc([C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCCC2)c1 ZINC000237316839 866627999 /nfs/dbraw/zinc/62/79/99/866627999.db2.gz PMJAHMBGVQCYQJ-JPYJTQIMSA-N 1 0 379.504 3.913 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000534378952 866689033 /nfs/dbraw/zinc/68/90/33/866689033.db2.gz KZPVZRCKDFNAQL-FPOVZHCZSA-N 1 0 383.536 3.687 20 30 GHEDRO C#CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000741677756 866716323 /nfs/dbraw/zinc/71/63/23/866716323.db2.gz ZNMLAFGGPYQXDA-KNQAVFIVSA-N 1 0 376.500 3.996 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183572377 866855529 /nfs/dbraw/zinc/85/55/29/866855529.db2.gz OEIDULDWTMMBAP-CXVUKDAWSA-N 1 0 393.535 3.842 20 30 GHEDRO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444588119 866910006 /nfs/dbraw/zinc/91/00/06/866910006.db2.gz DIPRLUXXBKWSDX-LJQANCHMSA-N 1 0 391.943 3.892 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000742164802 867089173 /nfs/dbraw/zinc/08/91/73/867089173.db2.gz GBGKTHVOLDKKEH-HTAPYJJXSA-N 1 0 387.487 3.853 20 30 GHEDRO COc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)cc1C#N ZINC000742366436 867239096 /nfs/dbraw/zinc/23/90/96/867239096.db2.gz FALCUXGZMBWWOJ-UHFFFAOYSA-N 1 0 378.472 3.940 20 30 GHEDRO COc1ccc(C[NH2+]CCCN2CCN(c3ccccc3Cl)CC2)cc1C#N ZINC000742367833 867239886 /nfs/dbraw/zinc/23/98/86/867239886.db2.gz LENLYWSGBDTNPW-UHFFFAOYSA-N 1 0 398.938 3.522 20 30 GHEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C#N)c(C)c1C ZINC000534753050 867375425 /nfs/dbraw/zinc/37/54/25/867375425.db2.gz ZFHCGSXQOUICOY-PZJWPPBQSA-N 1 0 394.544 3.532 20 30 GHEDRO CCOc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000479305635 867510737 /nfs/dbraw/zinc/51/07/37/867510737.db2.gz HYAMZUTXAVUZMS-UHFFFAOYSA-N 1 0 377.488 3.682 20 30 GHEDRO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000534838759 867615900 /nfs/dbraw/zinc/61/59/00/867615900.db2.gz HJEAIJCDQPZWRY-QGZVFWFLSA-N 1 0 395.478 3.570 20 30 GHEDRO Cc1ccc(CSCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479339553 867619815 /nfs/dbraw/zinc/61/98/15/867619815.db2.gz GUSQJQJEGACJRO-UHFFFAOYSA-N 1 0 393.556 3.903 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C#N)cc1OC ZINC000154873899 867642037 /nfs/dbraw/zinc/64/20/37/867642037.db2.gz CPAYVPUIYDSFDD-UHFFFAOYSA-N 1 0 397.548 3.665 20 30 GHEDRO CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457078665 867667482 /nfs/dbraw/zinc/66/74/82/867667482.db2.gz DONLVPBFYFMTTF-UHFFFAOYSA-N 1 0 397.441 3.591 20 30 GHEDRO CC[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000183745955 867668510 /nfs/dbraw/zinc/66/85/10/867668510.db2.gz QRNTYUMOEXLBBL-LJQANCHMSA-N 1 0 382.533 3.545 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508841782 867801271 /nfs/dbraw/zinc/80/12/71/867801271.db2.gz UNCWXIMRPQYKEU-SESVDKBCSA-N 1 0 395.551 3.520 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000743180297 867922384 /nfs/dbraw/zinc/92/23/84/867922384.db2.gz WCTPZNOJIUYBDT-UHFFFAOYSA-N 1 0 385.439 3.731 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000743203206 867923636 /nfs/dbraw/zinc/92/36/36/867923636.db2.gz ZDWRYYKBGBQCNZ-VQIMIIECSA-N 1 0 381.451 3.795 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000743198808 867947297 /nfs/dbraw/zinc/94/72/97/867947297.db2.gz IPELSBGGJMIZIA-LJQANCHMSA-N 1 0 381.451 3.624 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000743200098 867949603 /nfs/dbraw/zinc/94/96/03/867949603.db2.gz UZUBSOIELITIOK-UHFFFAOYSA-N 1 0 383.467 3.742 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(Cl)n1 ZINC000743248442 868014449 /nfs/dbraw/zinc/01/44/49/868014449.db2.gz SVENQAAPXGQXDT-UHFFFAOYSA-N 1 0 377.945 3.833 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000479592246 868194241 /nfs/dbraw/zinc/19/42/41/868194241.db2.gz MYMRNGGTQKBPNT-YJBOKZPZSA-N 1 0 390.409 3.718 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000479644183 868284679 /nfs/dbraw/zinc/28/46/79/868284679.db2.gz GKAZYLMJYQPFLJ-RTBURBONSA-N 1 0 391.556 3.618 20 30 GHEDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000535203625 868342514 /nfs/dbraw/zinc/34/25/14/868342514.db2.gz ZZLZALNDULLKRG-UHFFFAOYSA-N 1 0 386.311 3.878 20 30 GHEDRO C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(C)(C)C[NH+](C)C ZINC000479747910 868453396 /nfs/dbraw/zinc/45/33/96/868453396.db2.gz DFGICSVZAJSDCH-KRWDZBQOSA-N 1 0 379.504 3.843 20 30 GHEDRO COc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N ZINC000156794512 868466003 /nfs/dbraw/zinc/46/60/03/868466003.db2.gz STKZFGKSSMILIA-UGKGYDQZSA-N 1 0 393.531 3.988 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508845121 868498237 /nfs/dbraw/zinc/49/82/37/868498237.db2.gz MOYDWZBXQJILEF-UHFFFAOYSA-N 1 0 395.551 3.806 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000535289719 868499262 /nfs/dbraw/zinc/49/92/62/868499262.db2.gz UVUAFBSIOVWBNU-ISKFKSNPSA-N 1 0 375.516 3.883 20 30 GHEDRO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C1CCCCC1 ZINC000744213804 868668534 /nfs/dbraw/zinc/66/85/34/868668534.db2.gz FMCPCXQYDLBOOB-OAQYLSRUSA-N 1 0 384.520 3.635 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H]1OC ZINC000479896357 868698033 /nfs/dbraw/zinc/69/80/33/868698033.db2.gz BNRRAGJQWUVJCB-LZQZEXGQSA-N 1 0 375.488 3.644 20 30 GHEDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)C1 ZINC000091949504 882223080 /nfs/dbraw/zinc/22/30/80/882223080.db2.gz CJWDQBUPEXZLRA-LJQANCHMSA-N 1 0 382.552 3.507 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)C2=O)cc1 ZINC000029828319 868780690 /nfs/dbraw/zinc/78/06/90/868780690.db2.gz UEWIYDBIDRLGND-XLIONFOSSA-N 1 0 386.455 3.684 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130008 868942441 /nfs/dbraw/zinc/94/24/41/868942441.db2.gz BBLJWUJKEXABGO-LJQANCHMSA-N 1 0 389.609 3.849 20 30 GHEDRO N#Cc1ccc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000536504220 882244976 /nfs/dbraw/zinc/24/49/76/882244976.db2.gz GQHDBLSBLPQSAA-UHFFFAOYSA-N 1 0 384.411 3.561 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)nc1 ZINC000428784154 868970947 /nfs/dbraw/zinc/97/09/47/868970947.db2.gz OBZPWOWDRSDFQP-QFIPXVFZSA-N 1 0 398.466 3.859 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000609083171 868974225 /nfs/dbraw/zinc/97/42/25/868974225.db2.gz YMPZINYDRGHUBM-ZDUSSCGKSA-N 1 0 380.439 3.792 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000524435014 869054405 /nfs/dbraw/zinc/05/44/05/869054405.db2.gz YWSGCKFLYWSEON-UHFFFAOYSA-N 1 0 380.439 3.745 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(F)c1 ZINC000445947594 869193537 /nfs/dbraw/zinc/19/35/37/869193537.db2.gz VHJYTVFKFKPMLN-QHCPKHFHSA-N 1 0 395.453 3.965 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000446000733 869272288 /nfs/dbraw/zinc/27/22/88/869272288.db2.gz GNAYACIJQMREGQ-MSOLQXFVSA-N 1 0 392.425 3.587 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000446040975 869329042 /nfs/dbraw/zinc/32/90/42/869329042.db2.gz GODVMSLURZZWMN-KRWDZBQOSA-N 1 0 379.888 3.985 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)nc1 ZINC000793593754 882297669 /nfs/dbraw/zinc/29/76/69/882297669.db2.gz XVVFLHQDCHKIIS-INIZCTEOSA-N 1 0 389.455 3.937 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000539613020 869445423 /nfs/dbraw/zinc/44/54/23/869445423.db2.gz HTCMAHIUTWRPDW-OXQOHEQNSA-N 1 0 375.538 3.504 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000609100497 869552643 /nfs/dbraw/zinc/55/26/43/869552643.db2.gz TXZZTLXKBISNDE-DHIUTWEWSA-N 1 0 390.531 3.509 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)C(C)C ZINC000539713922 869656118 /nfs/dbraw/zinc/65/61/18/869656118.db2.gz MBALHRWUXBEFMW-YHINDDMVSA-N 1 0 391.600 3.656 20 30 GHEDRO CCCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000446404857 869833949 /nfs/dbraw/zinc/83/39/49/869833949.db2.gz HCKUXLIAHSTZTQ-UHFFFAOYSA-N 1 0 396.539 3.833 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000745941842 869884677 /nfs/dbraw/zinc/88/46/77/869884677.db2.gz WEQWCUPZAAQPQF-MRXNPFEDSA-N 1 0 396.453 3.587 20 30 GHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000508861627 869890181 /nfs/dbraw/zinc/89/01/81/869890181.db2.gz DFTDFWWZPZTJRY-SFHVURJKSA-N 1 0 382.556 3.940 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000525022300 869902676 /nfs/dbraw/zinc/90/26/76/869902676.db2.gz SPFGLVNCZBGFGS-VGOFRKELSA-N 1 0 377.488 3.957 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+](C)C ZINC000508861259 869958725 /nfs/dbraw/zinc/95/87/25/869958725.db2.gz HRIHDHLZXOAGGN-DYESRHJHSA-N 1 0 376.504 3.846 20 30 GHEDRO C[C@H]1C[C@@H](CCNC(=O)c2ccc(C#N)c(Cl)n2)C[N@@H+]1Cc1ccccc1 ZINC001127293924 882367091 /nfs/dbraw/zinc/36/70/91/882367091.db2.gz VUKYRXQFGCTINW-DOTOQJQBSA-N 1 0 382.895 3.637 20 30 GHEDRO N#Cc1ccc(C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000746115331 870072287 /nfs/dbraw/zinc/07/22/87/870072287.db2.gz QTECPJCSRVBWQJ-FQEVSTJZSA-N 1 0 393.450 3.760 20 30 GHEDRO CC(=O)Nc1ccc2c(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cc(=O)oc2c1 ZINC000746115363 870072413 /nfs/dbraw/zinc/07/24/13/870072413.db2.gz RYLUAJNPQRWMNY-UHFFFAOYSA-N 1 0 387.439 3.788 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262574844 870237700 /nfs/dbraw/zinc/23/77/00/870237700.db2.gz ZWULMNXMSZPLTC-VQIMIIECSA-N 1 0 398.938 3.903 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1 ZINC000538685205 870342101 /nfs/dbraw/zinc/34/21/01/870342101.db2.gz RJOOHHYOMRDRCX-UHFFFAOYSA-N 1 0 383.879 3.568 20 30 GHEDRO FC(F)(F)c1ccc2nnc([C@@H]3CCC[N@H+](CC#Cc4ccccc4)C3)n2c1 ZINC000192081163 870401359 /nfs/dbraw/zinc/40/13/59/870401359.db2.gz GMUPUHHUANWMLQ-QGZVFWFLSA-N 1 0 384.405 3.979 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1 ZINC000609108421 870434157 /nfs/dbraw/zinc/43/41/57/870434157.db2.gz CUWLPAGHJRKQPY-QHCPKHFHSA-N 1 0 390.531 3.685 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508866034 870634501 /nfs/dbraw/zinc/63/45/01/870634501.db2.gz QLLXVGIQHGQICQ-AVRDEDQJSA-N 1 0 376.504 3.947 20 30 GHEDRO COc1ccccc1N1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000540157052 870646279 /nfs/dbraw/zinc/64/62/79/870646279.db2.gz ZSSZSLHIJHUHAF-ITGJCUMNSA-N 1 0 389.499 3.794 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)c1cccc(OC)c1 ZINC000461795466 870972884 /nfs/dbraw/zinc/97/28/84/870972884.db2.gz JZTYNUJJBSGQHC-VGOFRKELSA-N 1 0 379.504 3.870 20 30 GHEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1 ZINC000447068913 870980166 /nfs/dbraw/zinc/98/01/66/870980166.db2.gz UBAQGLOZUGLSHO-UHFFFAOYSA-N 1 0 399.434 3.964 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(Cn4ccnc4)cc3)CC2)cc1 ZINC000181479506 871062819 /nfs/dbraw/zinc/06/28/19/871062819.db2.gz CRRNFSIZHVGDOQ-UHFFFAOYSA-N 1 0 385.515 3.557 20 30 GHEDRO CCn1c(-c2ccccc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460205031 871091515 /nfs/dbraw/zinc/09/15/15/871091515.db2.gz ICNPLHNRSYJCHD-UHFFFAOYSA-N 1 0 386.503 3.549 20 30 GHEDRO CC(C)[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000461903470 871208034 /nfs/dbraw/zinc/20/80/34/871208034.db2.gz ULDBCDCISZREKA-MBSDFSHPSA-N 1 0 375.516 3.861 20 30 GHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000443330450 871212102 /nfs/dbraw/zinc/21/21/02/871212102.db2.gz UGUDUKQQDGRJPC-LLVKDONJSA-N 1 0 399.335 3.507 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc1Cl ZINC000525697477 871223857 /nfs/dbraw/zinc/22/38/57/871223857.db2.gz JWDBUEFUJWXGGY-FQEVSTJZSA-N 1 0 397.906 3.833 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000539077954 871267907 /nfs/dbraw/zinc/26/79/07/871267907.db2.gz VTRLBPSXTVGVTA-WRSRUZKNSA-N 1 0 377.463 3.925 20 30 GHEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000181702881 871401869 /nfs/dbraw/zinc/40/18/69/871401869.db2.gz SSTAATHOTFCGPK-FQEVSTJZSA-N 1 0 386.517 3.718 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169307612 871403573 /nfs/dbraw/zinc/40/35/73/871403573.db2.gz PVNQKYSEELYUKB-HDYDNRTBSA-N 1 0 386.492 3.531 20 30 GHEDRO C[C@@](C#N)(Nc1ccc(C(=O)N2CCC([NH3+])CC2)cc1)c1ccccc1Cl ZINC001169390040 871463588 /nfs/dbraw/zinc/46/35/88/871463588.db2.gz COXKWLFHLWHQRA-NRFANRHFSA-N 1 0 382.895 3.754 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1C ZINC001194050376 871466000 /nfs/dbraw/zinc/46/60/00/871466000.db2.gz CYLOPHRGBXKZTI-FQEVSTJZSA-N 1 0 391.515 3.936 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)c1ccccc1 ZINC000181791138 871478405 /nfs/dbraw/zinc/47/84/05/871478405.db2.gz SHSLGUAFFFDQRS-KRWDZBQOSA-N 1 0 387.487 3.638 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000463340464 871480110 /nfs/dbraw/zinc/48/01/10/871480110.db2.gz OOQBNQMOWLXTIF-UHFFFAOYSA-N 1 0 394.357 3.674 20 30 GHEDRO Cc1ncc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n1-c1ccccc1 ZINC000525833661 871518968 /nfs/dbraw/zinc/51/89/68/871518968.db2.gz IUTDHRKOPRQUJV-UHFFFAOYSA-N 1 0 387.487 3.927 20 30 GHEDRO CC(C)OC(=O)C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000181829938 871526525 /nfs/dbraw/zinc/52/65/25/871526525.db2.gz BSUOEXDZETVDEP-QGZVFWFLSA-N 1 0 385.489 3.621 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(F)ccc1C#N ZINC000122305073 882520253 /nfs/dbraw/zinc/52/02/53/882520253.db2.gz AMZDKBPNVIRIKV-UHFFFAOYSA-N 1 0 385.512 3.796 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCc1cccc(Br)c1 ZINC000463416825 871669821 /nfs/dbraw/zinc/66/98/21/871669821.db2.gz OBHMNOIOAAZMDG-HNNXBMFYSA-N 1 0 392.341 3.655 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCC2 ZINC001194446984 871727645 /nfs/dbraw/zinc/72/76/45/871727645.db2.gz SYGWCBOPWZNPHS-QZTJIDSGSA-N 1 0 387.549 3.764 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-n2cc(CC[NH3+])c3ncccc32)cc1 ZINC001169708765 871793299 /nfs/dbraw/zinc/79/32/99/871793299.db2.gz DPKSUMZGRYIGDQ-JYXZFHPPSA-N 1 0 382.533 3.798 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169783958 871877952 /nfs/dbraw/zinc/87/79/52/871877952.db2.gz LNLUBBZFMHVOIE-NRFANRHFSA-N 1 0 389.499 3.706 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000463506018 871896853 /nfs/dbraw/zinc/89/68/53/871896853.db2.gz QDUKDZARSIJTFW-NRFANRHFSA-N 1 0 380.488 3.827 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc(C#N)cc1 ZINC000447578896 871923602 /nfs/dbraw/zinc/92/36/02/871923602.db2.gz IAULQGYGDJYCOT-JOCHJYFZSA-N 1 0 397.544 3.725 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)Cc1cc(C#N)ccc1Br ZINC000552054243 871941993 /nfs/dbraw/zinc/94/19/93/871941993.db2.gz PRJPWGVAARSMLQ-UHFFFAOYSA-N 1 0 376.298 3.868 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618849016 872071538 /nfs/dbraw/zinc/07/15/38/872071538.db2.gz LIIYZGUJERGJJC-NZQKXSOJSA-N 1 0 388.515 3.709 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000101598906 872118242 /nfs/dbraw/zinc/11/82/42/872118242.db2.gz UUIRKBPAUDQXAQ-IBGZPJMESA-N 1 0 386.540 3.773 20 30 GHEDRO COc1ccc(C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000526135941 872165302 /nfs/dbraw/zinc/16/53/02/872165302.db2.gz XJCXINPOQDHGFF-IEBWSBKVSA-N 1 0 399.535 3.647 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001195113522 872178845 /nfs/dbraw/zinc/17/88/45/872178845.db2.gz AUHOCTDCYXJOPL-UHFFFAOYSA-N 1 0 386.536 3.606 20 30 GHEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000767046448 872199299 /nfs/dbraw/zinc/19/92/99/872199299.db2.gz TZTZULSEYSEHME-IBGZPJMESA-N 1 0 389.293 3.755 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@H]1CCCO1 ZINC000182335933 872223650 /nfs/dbraw/zinc/22/36/50/872223650.db2.gz QISNJPUCTZRHPB-VQTJNVASSA-N 1 0 386.540 3.968 20 30 GHEDRO COc1cncc(Cl)c1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001195242471 872272508 /nfs/dbraw/zinc/27/25/08/872272508.db2.gz DTHIPUFAGBWFLT-QAQDUYKDSA-N 1 0 398.894 3.528 20 30 GHEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001195257807 872287353 /nfs/dbraw/zinc/28/73/53/872287353.db2.gz JTTHYULJGUIUAZ-NRFANRHFSA-N 1 0 399.498 3.951 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)Nc2cnn(CC)c2)cc1 ZINC000101900433 872354859 /nfs/dbraw/zinc/35/48/59/872354859.db2.gz QYMQUSLYDAHDTF-UHFFFAOYSA-O 1 0 396.540 3.749 20 30 GHEDRO C[NH+](C)CC1(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CCCCC1 ZINC000494612335 882616780 /nfs/dbraw/zinc/61/67/80/882616780.db2.gz GVTOEEBZLJPRDL-INIZCTEOSA-N 1 0 378.314 3.642 20 30 GHEDRO C[NH+](C)[C@H]1CCc2ccccc2N(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000857901965 882626734 /nfs/dbraw/zinc/62/67/34/882626734.db2.gz OSIDHCZYHPCWIF-IBGZPJMESA-N 1 0 397.544 3.559 20 30 GHEDRO C[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC001195756284 872612522 /nfs/dbraw/zinc/61/25/22/872612522.db2.gz FQRQWBJBDVYOAE-JOCHJYFZSA-N 1 0 381.907 3.925 20 30 GHEDRO Clc1cccc(C#CCN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001195778105 872656152 /nfs/dbraw/zinc/65/61/52/872656152.db2.gz PKWCIJPSCUEQOF-PKTZIBPZSA-N 1 0 380.919 3.667 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540992942 872689773 /nfs/dbraw/zinc/68/97/73/872689773.db2.gz COHHJHJAXVLFCT-QFBILLFUSA-N 1 0 392.906 3.807 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000619508387 872694130 /nfs/dbraw/zinc/69/41/30/872694130.db2.gz MENVEQXHDQYTLS-ACJLOTCBSA-N 1 0 391.924 3.922 20 30 GHEDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000152734288 872816565 /nfs/dbraw/zinc/81/65/65/872816565.db2.gz NPXHQAPITQMOBQ-GOSISDBHSA-N 1 0 386.517 3.630 20 30 GHEDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000182883372 872912542 /nfs/dbraw/zinc/91/25/42/872912542.db2.gz YJZZZZWPLGPWLW-OAHLLOKOSA-N 1 0 391.450 3.871 20 30 GHEDRO C[C@H](CCNC(=O)NCc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000619759093 872971520 /nfs/dbraw/zinc/97/15/20/872971520.db2.gz LMDWDDSRCKZSEK-MRXNPFEDSA-N 1 0 384.911 3.921 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619760335 872972301 /nfs/dbraw/zinc/97/23/01/872972301.db2.gz FRIAKPHSEXLWRL-FOIQADDNSA-N 1 0 382.895 3.531 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619759944 872973794 /nfs/dbraw/zinc/97/37/94/872973794.db2.gz WKCAPMBAELUAEW-HNNXBMFYSA-N 1 0 397.910 3.631 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000619748356 872984542 /nfs/dbraw/zinc/98/45/42/872984542.db2.gz JECIXXMPYIJALV-UHFFFAOYSA-N 1 0 381.823 3.810 20 30 GHEDRO CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619768750 873007962 /nfs/dbraw/zinc/00/79/62/873007962.db2.gz SOPBTNLBFNTBTR-UHFFFAOYSA-N 1 0 376.932 3.769 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)CC1 ZINC001196315602 873009770 /nfs/dbraw/zinc/00/97/70/873009770.db2.gz GEGSNSAEUMSLNW-UHFFFAOYSA-N 1 0 377.488 3.877 20 30 GHEDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000478443299 873029655 /nfs/dbraw/zinc/02/96/55/873029655.db2.gz CVZXPXZDTHUZCS-UHFFFAOYSA-N 1 0 398.466 3.591 20 30 GHEDRO CCCc1c(NC(=O)CCN(C)c2cc[nH+]cc2)cnn1-c1cccc(C#N)c1 ZINC000527385909 873097091 /nfs/dbraw/zinc/09/70/91/873097091.db2.gz FIMQEMBMWIGKSZ-UHFFFAOYSA-N 1 0 388.475 3.556 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000768247283 873188266 /nfs/dbraw/zinc/18/82/66/873188266.db2.gz BBNZREKXTHZDBF-KRWDZBQOSA-N 1 0 376.497 3.571 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001196554267 873207818 /nfs/dbraw/zinc/20/78/18/873207818.db2.gz QGYMGDGHRRMGOP-GIVPXCGWSA-N 1 0 395.572 3.610 20 30 GHEDRO COc1cccc([C@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)c1 ZINC000443509515 873228846 /nfs/dbraw/zinc/22/88/46/873228846.db2.gz JEKNHCLOWAECNG-AWEZNQCLSA-N 1 0 390.409 3.864 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@H](O)C(C)(C)C2)cc1OCC ZINC000448361283 873261873 /nfs/dbraw/zinc/26/18/73/873261873.db2.gz WNQYHOFEUZHYOE-INIZCTEOSA-N 1 0 384.314 3.615 20 30 GHEDRO CC[C@H]1CCCC[C@@H]1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000464156834 873298536 /nfs/dbraw/zinc/29/85/36/873298536.db2.gz CKPIAGNINSKCML-SFTDATJTSA-N 1 0 383.536 3.646 20 30 GHEDRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C2CC2)cc1 ZINC000768420661 873318661 /nfs/dbraw/zinc/31/86/61/873318661.db2.gz FFPXJVKJLHCALS-UHFFFAOYSA-N 1 0 376.504 3.561 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527702566 873473438 /nfs/dbraw/zinc/47/34/38/873473438.db2.gz GPNQMVORKRASBL-BZNIZROVSA-N 1 0 382.327 3.972 20 30 GHEDRO CC1CC[NH+](CC[C@H]2CCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001196937039 873487967 /nfs/dbraw/zinc/48/79/67/873487967.db2.gz VVYDHRMRMPLILC-LJQANCHMSA-N 1 0 388.943 3.737 20 30 GHEDRO COCc1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1C#N ZINC000527764725 873539287 /nfs/dbraw/zinc/53/92/87/873539287.db2.gz QXQFTFKDSYPCJD-UHFFFAOYSA-N 1 0 378.520 3.847 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c(-c2ccccc2)n1 ZINC000527751622 873557619 /nfs/dbraw/zinc/55/76/19/873557619.db2.gz KCADVBYEGPFDIE-JOCHJYFZSA-N 1 0 377.536 3.960 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1OC ZINC000527812627 873597400 /nfs/dbraw/zinc/59/74/00/873597400.db2.gz SQEXZRMXUOGELU-UHFFFAOYSA-N 1 0 378.472 3.927 20 30 GHEDRO C#Cc1cccc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000768862743 873664940 /nfs/dbraw/zinc/66/49/40/873664940.db2.gz FOTGXTZZEHUGJT-UHFFFAOYSA-N 1 0 388.515 3.522 20 30 GHEDRO CCc1cc(C(=O)N(c2cccc(C)c2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)ccc1C#N ZINC001197274484 873688090 /nfs/dbraw/zinc/68/80/90/873688090.db2.gz DXJMFYPTOXKIBQ-UPVQGACJSA-N 1 0 389.499 3.597 20 30 GHEDRO Cc1cc(NC(=O)C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000176998591 882757341 /nfs/dbraw/zinc/75/73/41/882757341.db2.gz VMJLGBSBTJFDBC-UHFFFAOYSA-N 1 0 391.393 3.704 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000464398040 873784116 /nfs/dbraw/zinc/78/41/16/873784116.db2.gz VMUUATMOLGLKQQ-AVRDEDQJSA-N 1 0 394.515 3.900 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000769311788 873958148 /nfs/dbraw/zinc/95/81/48/873958148.db2.gz OALWNCFPNIWZEB-FQEVSTJZSA-N 1 0 378.472 3.722 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)c1ccco1 ZINC000448808264 873974179 /nfs/dbraw/zinc/97/41/79/873974179.db2.gz CGSGGINMGWSQCK-INIZCTEOSA-N 1 0 390.281 3.727 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)[C@H]2CCCOC2)c1C#N ZINC000541648170 874016215 /nfs/dbraw/zinc/01/62/15/874016215.db2.gz BJDPPKRYSLXIKI-AEFFLSMTSA-N 1 0 386.540 3.825 20 30 GHEDRO C#C[C@@H]([NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@H]1CCCO1 ZINC000775808209 874140739 /nfs/dbraw/zinc/14/07/39/874140739.db2.gz YVZFYKMKDLXZNF-IAGOWNOFSA-N 1 0 393.325 3.555 20 30 GHEDRO CCC(C#N)(CC)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000528180901 874162006 /nfs/dbraw/zinc/16/20/06/874162006.db2.gz VXQRUQHDBUJMGX-UHFFFAOYSA-N 1 0 391.519 3.672 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C2([C@H]3CCCO3)CCC2)c1C#N ZINC001198706565 874598491 /nfs/dbraw/zinc/59/84/91/874598491.db2.gz QHLWBKOLFACPHB-HXUWFJFHSA-N 1 0 392.503 3.596 20 30 GHEDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000509460633 874620940 /nfs/dbraw/zinc/62/09/40/874620940.db2.gz AOLXZOMMQPKGKO-ROUUACIJSA-N 1 0 379.504 3.670 20 30 GHEDRO C#CCOc1ccc(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000770504201 874710523 /nfs/dbraw/zinc/71/05/23/874710523.db2.gz RDLPFZUUJYHVGH-UHFFFAOYSA-N 1 0 375.516 3.843 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NCC(F)(F)F ZINC000542005052 874749446 /nfs/dbraw/zinc/74/94/46/874749446.db2.gz NLEFJTDYQLBYSI-UONOGXRCSA-N 1 0 375.394 3.943 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000804455044 882868651 /nfs/dbraw/zinc/86/86/51/882868651.db2.gz CAAIIKCLUZJZRI-GMAHTHKFSA-N 1 0 378.491 3.789 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C2(CF)CCOCC2)cc1OC ZINC000449446234 874868106 /nfs/dbraw/zinc/86/81/06/874868106.db2.gz OYOSYSSQDBUKRV-UHFFFAOYSA-N 1 0 388.277 3.631 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000770805586 874876942 /nfs/dbraw/zinc/87/69/42/874876942.db2.gz LIVLHNYABAJMHS-IBGZPJMESA-N 1 0 392.499 3.854 20 30 GHEDRO COc1ccc([C@H](CNC(=O)C(C)(C)c2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000858147990 882884879 /nfs/dbraw/zinc/88/48/79/882884879.db2.gz HAJRENRGEKIOPO-QFIPXVFZSA-N 1 0 391.515 3.798 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000771461542 875258784 /nfs/dbraw/zinc/25/87/84/875258784.db2.gz GHNWTENRMXPJPO-HXUWFJFHSA-N 1 0 397.482 3.573 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465187763 875273151 /nfs/dbraw/zinc/27/31/51/875273151.db2.gz SXIXYZDPPXLTQZ-ZWKOTPCHSA-N 1 0 393.487 3.685 20 30 GHEDRO N#Cc1ccsc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000153081748 875424421 /nfs/dbraw/zinc/42/44/21/875424421.db2.gz YNLNXZIIVGJISQ-QGZVFWFLSA-N 1 0 377.473 3.516 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000449830246 875496998 /nfs/dbraw/zinc/49/69/98/875496998.db2.gz OYLVUNBYTWVSJK-UHFFFAOYSA-N 1 0 383.536 3.501 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000460693145 875673229 /nfs/dbraw/zinc/67/32/29/875673229.db2.gz WIKGHCRSAHHRLQ-NRFANRHFSA-N 1 0 391.540 3.872 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000772113434 875704000 /nfs/dbraw/zinc/70/40/00/875704000.db2.gz FATSMNHHXDARIW-SFHVURJKSA-N 1 0 390.483 3.888 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000772113433 875704110 /nfs/dbraw/zinc/70/41/10/875704110.db2.gz FATSMNHHXDARIW-GOSISDBHSA-N 1 0 390.483 3.888 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000029985285 875765043 /nfs/dbraw/zinc/76/50/43/875765043.db2.gz SAGIKMIRKDSECF-UHFFFAOYSA-N 1 0 377.532 3.809 20 30 GHEDRO COCc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C#N ZINC000529207941 875828018 /nfs/dbraw/zinc/82/80/18/875828018.db2.gz ITUZGZYMWYCBPG-UHFFFAOYSA-N 1 0 398.429 3.585 20 30 GHEDRO COCc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1C#N ZINC000529211291 875836734 /nfs/dbraw/zinc/83/67/34/875836734.db2.gz OFRYOBJEZHYMNQ-UHFFFAOYSA-N 1 0 392.503 3.533 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000529212374 875838978 /nfs/dbraw/zinc/83/89/78/875838978.db2.gz IZDVWCYBLZCLJD-MGPUTAFESA-N 1 0 398.532 3.971 20 30 GHEDRO CCCCCCC[NH+]1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C ZINC001201762474 875847095 /nfs/dbraw/zinc/84/70/95/875847095.db2.gz MHOMVIHUKONZFX-UHFFFAOYSA-N 1 0 392.613 3.531 20 30 GHEDRO CCCCCCCCC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCCO3)[C@@H]2C1 ZINC001201846047 875900935 /nfs/dbraw/zinc/90/09/35/875900935.db2.gz CSZOUPXNZBMYLZ-NJYVYQBISA-N 1 0 380.573 3.876 20 30 GHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(C#N)c1Br ZINC000450073410 875904812 /nfs/dbraw/zinc/90/48/12/875904812.db2.gz KOWKJZJONSNMRA-UHFFFAOYSA-N 1 0 392.322 3.586 20 30 GHEDRO CCCCNC(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179329694 882991201 /nfs/dbraw/zinc/99/12/01/882991201.db2.gz OTBQANRJPATOCJ-UHFFFAOYSA-N 1 0 393.535 3.592 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cccc(C)c2)cc1 ZINC000151910935 876103104 /nfs/dbraw/zinc/10/31/04/876103104.db2.gz URDWGNINASYDOW-UHFFFAOYSA-O 1 0 379.509 3.629 20 30 GHEDRO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000443865153 876106255 /nfs/dbraw/zinc/10/62/55/876106255.db2.gz AJVNCICXWNQKDR-BWAGFHJFSA-N 1 0 385.552 3.822 20 30 GHEDRO N#Cc1cc(Br)cnc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000450266163 876190222 /nfs/dbraw/zinc/19/02/22/876190222.db2.gz ODPABQLRQOTDQB-UHFFFAOYSA-N 1 0 389.272 3.931 20 30 GHEDRO COc1ccccc1C/C(C)=C/C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000106619849 876220705 /nfs/dbraw/zinc/22/07/05/876220705.db2.gz YIVOXJVVZJKGIO-KNTRCKAVSA-N 1 0 391.515 3.646 20 30 GHEDRO N#Cc1sc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nc1Cl ZINC000804540234 883032411 /nfs/dbraw/zinc/03/24/11/883032411.db2.gz VMEXTUWKPNPVRH-UHFFFAOYSA-N 1 0 380.876 3.763 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccc(CCOC)cc3)cc2)CC1 ZINC000108206474 876443945 /nfs/dbraw/zinc/44/39/45/876443945.db2.gz ILPAXAOIOMLNHY-UHFFFAOYSA-N 1 0 392.499 3.952 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000786151370 876478740 /nfs/dbraw/zinc/47/87/40/876478740.db2.gz UNMPRZVMQOKQQA-UHFFFAOYSA-N 1 0 385.512 3.683 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)c2)c1 ZINC000529675174 876506830 /nfs/dbraw/zinc/50/68/30/876506830.db2.gz KYMRTXUDOZQHNP-UMTXDNHDSA-N 1 0 380.513 3.623 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNc1nc2c(cc1C#N)COCC2)c1ccc(Cl)cc1 ZINC000450519742 876555539 /nfs/dbraw/zinc/55/55/39/876555539.db2.gz NLKJLYXZLKPMED-FQEVSTJZSA-N 1 0 384.911 3.596 20 30 GHEDRO COCc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000529818082 876709857 /nfs/dbraw/zinc/70/98/57/876709857.db2.gz USZWMUHQQNJLQA-UHFFFAOYSA-N 1 0 377.488 3.945 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2COC3(CCC3)C2)cc1OC ZINC000850367622 876856438 /nfs/dbraw/zinc/85/64/38/876856438.db2.gz OBIIKROLIROQBG-CQSZACIVSA-N 1 0 382.298 3.824 20 30 GHEDRO Cn1c(C#N)ccc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000450757995 876877307 /nfs/dbraw/zinc/87/73/07/876877307.db2.gz IVJHOZZGVWHWMC-IBGZPJMESA-N 1 0 386.446 3.520 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000450783696 876885221 /nfs/dbraw/zinc/88/52/21/876885221.db2.gz DXOHZFDNWGRHEL-UHFFFAOYSA-N 1 0 384.430 3.871 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 ZINC000850415041 876896278 /nfs/dbraw/zinc/89/62/78/876896278.db2.gz KWZFUVHLQDWIGV-ZPMCFJSWSA-N 1 0 377.488 3.808 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000786886226 877039548 /nfs/dbraw/zinc/03/95/48/877039548.db2.gz BPPAJRRTBSAGBA-NRFANRHFSA-N 1 0 397.519 3.500 20 30 GHEDRO C#CCN(C(=O)N[C@H]1CCSc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000913961084 877177416 /nfs/dbraw/zinc/17/74/16/877177416.db2.gz NLPNWXHRINQVQC-KRWDZBQOSA-N 1 0 377.941 3.616 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)cc1 ZINC000746660680 877234981 /nfs/dbraw/zinc/23/49/81/877234981.db2.gz YQMZBAZLDNLFIT-UHFFFAOYSA-N 1 0 392.547 3.741 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)CC(C)(C)CC#N)cc2)C1 ZINC000451070822 877305784 /nfs/dbraw/zinc/30/57/84/877305784.db2.gz YWJARXZYGYSCGP-QZTJIDSGSA-N 1 0 391.581 3.524 20 30 GHEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000787307229 877332508 /nfs/dbraw/zinc/33/25/08/877332508.db2.gz NVIHYVMQYAHJRJ-KVSKMBFKSA-N 1 0 380.517 3.878 20 30 GHEDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093360090 912223765 /nfs/dbraw/zinc/22/37/65/912223765.db2.gz WNMJCASCSIJNGW-QGZVFWFLSA-N 1 0 397.523 3.809 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc21 ZINC000451087627 877349012 /nfs/dbraw/zinc/34/90/12/877349012.db2.gz PFGVPYJUYHCXMU-SFHVURJKSA-N 1 0 375.881 3.561 20 30 GHEDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000610137520 877421536 /nfs/dbraw/zinc/42/15/36/877421536.db2.gz APYLBXMSWCNKPD-UNMCSNQZSA-N 1 0 398.528 3.583 20 30 GHEDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000610137517 877421756 /nfs/dbraw/zinc/42/17/56/877421756.db2.gz APYLBXMSWCNKPD-IFMALSPDSA-N 1 0 398.528 3.583 20 30 GHEDRO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000610134137 877449959 /nfs/dbraw/zinc/44/99/59/877449959.db2.gz MRHZENKCQVKAIS-LEWJYISDSA-N 1 0 383.536 3.624 20 30 GHEDRO CC[NH+](CC)CCn1cc(Nc2cc(F)c(Br)cc2C#N)cn1 ZINC001203265502 912252398 /nfs/dbraw/zinc/25/23/98/912252398.db2.gz ZPWMLPNJFYQHEU-UHFFFAOYSA-N 1 0 380.265 3.742 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000615509244 877804867 /nfs/dbraw/zinc/80/48/67/877804867.db2.gz JKTJRYICFOWQGP-UHFFFAOYSA-N 1 0 383.492 3.856 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245454449 877907059 /nfs/dbraw/zinc/90/70/59/877907059.db2.gz RZPNZEGLEAMGFD-RBBKRZOGSA-N 1 0 391.515 3.860 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H](C#N)c3c(Cl)cccc3Cl)C[C@H]2C1 ZINC001183110471 912292846 /nfs/dbraw/zinc/29/28/46/912292846.db2.gz DBVPEYDDLAMVDR-RBSFLKMASA-N 1 0 380.319 3.791 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000788260324 877965704 /nfs/dbraw/zinc/96/57/04/877965704.db2.gz YZRRVFYROYHPAA-OXJNMPFZSA-N 1 0 380.492 3.567 20 30 GHEDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000493011269 877984956 /nfs/dbraw/zinc/98/49/56/877984956.db2.gz UISUHCNYFYCAPB-PMACEKPBSA-N 1 0 391.471 3.566 20 30 GHEDRO C=CC1CCN(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000477694097 878039836 /nfs/dbraw/zinc/03/98/36/878039836.db2.gz QBTOWLUBRGOBBD-KRWDZBQOSA-N 1 0 388.531 3.636 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC(C)(C#N)C2)cc1)C[C@H]1CCCCO1 ZINC000551945718 878045954 /nfs/dbraw/zinc/04/59/54/878045954.db2.gz VRZXICLMODCTOG-HXUWFJFHSA-N 1 0 384.524 3.843 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC(C)(C#N)C2)cc1)C[C@@H]1CCCCO1 ZINC000551945708 878046392 /nfs/dbraw/zinc/04/63/92/878046392.db2.gz VRZXICLMODCTOG-FQEVSTJZSA-N 1 0 384.524 3.843 20 30 GHEDRO S=C(NN=Cc1cc2ccccc2[nH]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000788415884 878068519 /nfs/dbraw/zinc/06/85/19/878068519.db2.gz SGEWTOYAUVUGIH-UHFFFAOYSA-N 1 0 391.544 3.631 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544313 878116066 /nfs/dbraw/zinc/11/60/66/878116066.db2.gz DTPUOOGDVFTSAI-GOSISDBHSA-N 1 0 378.432 3.675 20 30 GHEDRO CC(C)(C)OC(=O)CC1([NH2+]Cc2cc(Cl)ccc2OCC#N)CCOCC1 ZINC000852180402 878123817 /nfs/dbraw/zinc/12/38/17/878123817.db2.gz NJCKDHCOEILXSE-UHFFFAOYSA-N 1 0 394.899 3.613 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)c1ccc(F)c(F)c1 ZINC000477751294 878135856 /nfs/dbraw/zinc/13/58/56/878135856.db2.gz PRDKVABTMJNRJA-XLIONFOSSA-N 1 0 395.494 3.724 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460551032 878164662 /nfs/dbraw/zinc/16/46/62/878164662.db2.gz LOAGEJYNLCZSMQ-LPHOPBHVSA-N 1 0 399.514 3.806 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1F ZINC000852323586 878238430 /nfs/dbraw/zinc/23/84/30/878238430.db2.gz ZVHFDZCHBUWSGC-HNAYVOBHSA-N 1 0 377.891 3.575 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1F ZINC000852323202 878238742 /nfs/dbraw/zinc/23/87/42/878238742.db2.gz XBOXBIRJWZNKMK-LJQANCHMSA-N 1 0 377.891 3.575 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000451676244 878297382 /nfs/dbraw/zinc/29/73/82/878297382.db2.gz SENDRUWFKMJWSC-KURKYZTESA-N 1 0 383.319 3.980 20 30 GHEDRO CC[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000031124859 878316316 /nfs/dbraw/zinc/31/63/16/878316316.db2.gz MFNXVHNZXWNHLM-JTSKRJEESA-N 1 0 376.504 3.755 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852472644 878349485 /nfs/dbraw/zinc/34/94/85/878349485.db2.gz FUIDEDUHZGZNLC-OALUTQOASA-N 1 0 393.453 3.908 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)ccc1F ZINC000852473454 878353868 /nfs/dbraw/zinc/35/38/68/878353868.db2.gz NWJKBJHEHZFGTK-YJBOKZPZSA-N 1 0 397.416 3.853 20 30 GHEDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000746771605 878414571 /nfs/dbraw/zinc/41/45/71/878414571.db2.gz FFDBNQOWZSVFBF-JXFKEZNVSA-N 1 0 398.532 3.511 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@]2(CC(=O)N(Cc3csc(C)n3)C2=O)C1 ZINC001275113862 912347516 /nfs/dbraw/zinc/34/75/16/912347516.db2.gz JGVBJHTYERHZNM-FQEVSTJZSA-N 1 0 377.554 3.763 20 30 GHEDRO CC[C@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000451842013 878589470 /nfs/dbraw/zinc/58/94/70/878589470.db2.gz MMDQZGGKPNAIJH-JKSUJKDBSA-N 1 0 388.581 3.632 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000852804870 878613439 /nfs/dbraw/zinc/61/34/39/878613439.db2.gz XYTBSEKNRHLMSK-UHFFFAOYSA-N 1 0 375.497 3.829 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000852817437 878619110 /nfs/dbraw/zinc/61/91/10/878619110.db2.gz WKUGKRWAPOVUSR-AWEZNQCLSA-N 1 0 383.344 3.914 20 30 GHEDRO C#CCN(C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1)C1CC[NH+](C)CC1 ZINC000914138937 878645790 /nfs/dbraw/zinc/64/57/90/878645790.db2.gz IJQZORVXGGDJCL-INIZCTEOSA-N 1 0 396.560 3.919 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000451905992 878674674 /nfs/dbraw/zinc/67/46/74/878674674.db2.gz UUODVMHGZGLKAC-UHFFFAOYSA-N 1 0 381.524 3.941 20 30 GHEDRO N#Cc1ccsc1N1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000530961781 878808007 /nfs/dbraw/zinc/80/80/07/878808007.db2.gz ZFNRVVGGGGFGNL-FQEVSTJZSA-N 1 0 394.544 3.501 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000238172545 878836929 /nfs/dbraw/zinc/83/69/29/878836929.db2.gz OGZYOPBXRVZJET-UHFFFAOYSA-N 1 0 393.531 3.868 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000538125074 878849426 /nfs/dbraw/zinc/84/94/26/878849426.db2.gz LQPUSOPLTQOXTQ-BSRJHKFKSA-N 1 0 394.519 3.754 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000789393708 878887461 /nfs/dbraw/zinc/88/74/61/878887461.db2.gz LAXXYRCMXYOPGT-SFHVURJKSA-N 1 0 388.924 3.810 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OCC ZINC000538165126 878943352 /nfs/dbraw/zinc/94/33/52/878943352.db2.gz ZJQOGYMKUMXRDJ-GCKMJXCFSA-N 1 0 375.513 3.578 20 30 GHEDRO COC1CC[NH+](C2(CNc3cc(Br)cnc3C#N)CCCC2)CC1 ZINC000853298002 878957343 /nfs/dbraw/zinc/95/73/43/878957343.db2.gz KKYKPMQQVAIXGG-UHFFFAOYSA-N 1 0 393.329 3.551 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(Br)cnc2C#N)C1 ZINC000853331948 878970847 /nfs/dbraw/zinc/97/08/47/878970847.db2.gz AMXJMJADTZGFTH-HUUCEWRRSA-N 1 0 377.330 3.807 20 30 GHEDRO N#Cc1ncc(Br)cc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000853455450 879031394 /nfs/dbraw/zinc/03/13/94/879031394.db2.gz AMABRRLSZLIYQR-UHFFFAOYSA-N 1 0 377.330 3.808 20 30 GHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(C#N)s3)cc2)C[C@H]1C ZINC000538243133 879070127 /nfs/dbraw/zinc/07/01/27/879070127.db2.gz QMYXROUAYOOTCM-IAGOWNOFSA-N 1 0 397.544 3.559 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1cccc(C)c1 ZINC000068865919 879106631 /nfs/dbraw/zinc/10/66/31/879106631.db2.gz JHZQESQGINAJLP-UHFFFAOYSA-O 1 0 379.452 3.822 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC(C)C)c1 ZINC000068865855 879106844 /nfs/dbraw/zinc/10/68/44/879106844.db2.gz NHWWLZRAYFCZAE-UHFFFAOYSA-O 1 0 379.452 3.821 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000853690969 879224467 /nfs/dbraw/zinc/22/44/67/879224467.db2.gz TWGGHASKJGJRCE-VQTJNVASSA-N 1 0 393.959 3.738 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000772745539 879305683 /nfs/dbraw/zinc/30/56/83/879305683.db2.gz MAECGMNYTREPGT-QFBILLFUSA-N 1 0 398.617 3.621 20 30 GHEDRO Cn1cc(C#N)cc1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452450177 879462643 /nfs/dbraw/zinc/46/26/43/879462643.db2.gz GEFOSPFWZVKMBG-JOCHJYFZSA-N 1 0 390.531 3.660 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452456605 879471833 /nfs/dbraw/zinc/47/18/33/879471833.db2.gz LPZKIRNJZFVHIN-QFIPXVFZSA-N 1 0 390.531 3.958 20 30 GHEDRO COc1ccc(C(C)N=Nc2nc3ccccn3n2)cc1C[NH+]1CCCCC1 ZINC000790195743 879514368 /nfs/dbraw/zinc/51/43/68/879514368.db2.gz NRKZWIQNESSIKI-UHFFFAOYSA-N 1 0 378.480 3.560 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000152648152 879517721 /nfs/dbraw/zinc/51/77/21/879517721.db2.gz SWJCSNDEWHEEBY-UHFFFAOYSA-N 1 0 375.371 3.709 20 30 GHEDRO CC(C)N1C(=O)C[C@@H]([NH2+]Cc2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000617252592 879535242 /nfs/dbraw/zinc/53/52/42/879535242.db2.gz JDCDONYYQQGURP-QUCCMNQESA-N 1 0 386.858 3.586 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000564382118 879587429 /nfs/dbraw/zinc/58/74/29/879587429.db2.gz YHCXQOMLFWSEFQ-SFHVURJKSA-N 1 0 377.492 3.825 20 30 GHEDRO C=CCc1ccc(OCC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(OC)c1 ZINC000122881899 879594258 /nfs/dbraw/zinc/59/42/58/879594258.db2.gz DRROADPHBYSOKS-UHFFFAOYSA-N 1 0 398.503 3.519 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000285857521 912474304 /nfs/dbraw/zinc/47/43/04/912474304.db2.gz XLTHTINCSHCQGE-MAUKXSAKSA-N 1 0 395.532 3.696 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000854234645 879650544 /nfs/dbraw/zinc/65/05/44/879650544.db2.gz GRRPAFYDXVTAJZ-OAQYLSRUSA-N 1 0 393.487 3.532 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531384066 879750394 /nfs/dbraw/zinc/75/03/94/879750394.db2.gz KZZRVLYUYWRRCN-LPHOPBHVSA-N 1 0 380.467 3.673 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000285914800 912499284 /nfs/dbraw/zinc/49/92/84/912499284.db2.gz ZHKUDKAZWNBPEU-MRXNPFEDSA-N 1 0 394.494 3.712 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000285945737 912510992 /nfs/dbraw/zinc/51/09/92/912510992.db2.gz FXFFEELCDFXKTK-QGZVFWFLSA-N 1 0 390.487 3.834 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000247152246 879931860 /nfs/dbraw/zinc/93/18/60/879931860.db2.gz RZZOESPLDCNIGK-FGZHOGPDSA-N 1 0 396.579 3.889 20 30 GHEDRO N#CCn1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC000609168098 879939913 /nfs/dbraw/zinc/93/99/13/879939913.db2.gz YIBRMPFSQPPUHX-FQEVSTJZSA-N 1 0 386.499 3.807 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)C1 ZINC000247272764 879958891 /nfs/dbraw/zinc/95/88/91/879958891.db2.gz WMJHCWJEFLSLDV-LMMKCTJWSA-N 1 0 388.581 3.681 20 30 GHEDRO N#CCn1c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2ccccc21 ZINC000609175366 880158083 /nfs/dbraw/zinc/15/80/83/880158083.db2.gz RUNMBNNAXMVTIZ-LJQANCHMSA-N 1 0 378.520 3.893 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCC[C@@H](O)c3ccccc3)CC2)c1 ZINC000855034672 880229798 /nfs/dbraw/zinc/22/97/98/880229798.db2.gz YSWNBNQHTJOWRF-HSZRJFAPSA-N 1 0 391.515 3.543 20 30 GHEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000795700967 912548710 /nfs/dbraw/zinc/54/87/10/912548710.db2.gz UAOYVJMSYNBRMD-GPXNEJASSA-N 1 0 384.483 3.884 20 30 GHEDRO N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000855302975 880421903 /nfs/dbraw/zinc/42/19/03/880421903.db2.gz RBFGAWNACYEBNW-DEOSSOPVSA-N 1 0 388.515 3.765 20 30 GHEDRO CC(C)OC(=O)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000113342777 880518990 /nfs/dbraw/zinc/51/89/90/880518990.db2.gz WUHLHMVKBMGLFU-UHFFFAOYSA-N 1 0 395.507 3.563 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3Br)CC2)C1=O ZINC001275196940 912580300 /nfs/dbraw/zinc/58/03/00/912580300.db2.gz HBMXMDVGUYHWAD-IBGZPJMESA-N 1 0 377.326 3.840 20 30 GHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000531847263 880599129 /nfs/dbraw/zinc/59/91/29/880599129.db2.gz AXMCHCBDSYLBRP-KRWDZBQOSA-N 1 0 385.533 3.758 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000453413829 880877640 /nfs/dbraw/zinc/87/76/40/880877640.db2.gz LXZZWRLTOKQJIQ-MUGJNUQGSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453439254 880901314 /nfs/dbraw/zinc/90/13/14/880901314.db2.gz KJKDLEWBVWJCFK-DLBZAZTESA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000453423179 880921947 /nfs/dbraw/zinc/92/19/47/880921947.db2.gz BYZRRTGPIIQHQG-MHJFOBGBSA-N 1 0 387.572 3.652 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453431576 880934999 /nfs/dbraw/zinc/93/49/99/880934999.db2.gz AAOFJZVZQKDWPM-NHCUHLMSSA-N 1 0 395.551 3.664 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453472399 880986609 /nfs/dbraw/zinc/98/66/09/880986609.db2.gz XBJSYVHJVMANAV-AUSIDOKSSA-N 1 0 395.551 3.591 20 30 GHEDRO C=C(C)Cn1c(CC(C)C)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453448441 881001745 /nfs/dbraw/zinc/00/17/45/881001745.db2.gz CFIDOHFMQPWWLD-UHFFFAOYSA-N 1 0 387.494 3.906 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000113970754 881019307 /nfs/dbraw/zinc/01/93/07/881019307.db2.gz XTDXNCLBSTXERG-AZUAARDMSA-N 1 0 386.540 3.821 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)CC1 ZINC000856261073 881073984 /nfs/dbraw/zinc/07/39/84/881073984.db2.gz ZPTGIFDRLOVCAC-OAQYLSRUSA-N 1 0 392.465 3.974 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792500300 881125800 /nfs/dbraw/zinc/12/58/00/881125800.db2.gz YYXXROOBGQLBRP-LJQANCHMSA-N 1 0 386.417 3.695 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCCOC2)cc1OC ZINC000119767712 881142214 /nfs/dbraw/zinc/14/22/14/881142214.db2.gz AQPGTYDTQSDUMB-CQSZACIVSA-N 1 0 384.314 3.881 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)c(Cl)c3)C2)C1=O ZINC001275213189 912647720 /nfs/dbraw/zinc/64/77/20/912647720.db2.gz QNPFGHKLJFEVIP-QGZVFWFLSA-N 1 0 388.817 3.849 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001170193566 881203176 /nfs/dbraw/zinc/20/31/76/881203176.db2.gz HMMOUMNMRGMQRS-INIZCTEOSA-N 1 0 399.409 3.609 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000089266521 881217989 /nfs/dbraw/zinc/21/79/89/881217989.db2.gz AOCJDUKZKATDRV-RBUKOAKNSA-N 1 0 377.916 3.510 20 30 GHEDRO N#CCSc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792576799 881244201 /nfs/dbraw/zinc/24/42/01/881244201.db2.gz CNWBUKSOFKPGDY-KDURUIRLSA-N 1 0 377.513 3.506 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCSc1ccccc1Br ZINC000064361233 883205028 /nfs/dbraw/zinc/20/50/28/883205028.db2.gz UBJSUEDDFNOEQN-UHFFFAOYSA-N 1 0 398.370 3.625 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(C)(C)c3ccc(C#N)cc3)cc2)CC1 ZINC000858575079 883209395 /nfs/dbraw/zinc/20/93/95/883209395.db2.gz SRNUIZWPOJKMAZ-UHFFFAOYSA-N 1 0 376.504 3.616 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OC3CCCC3)CC2)c(OC)c1 ZINC000195328797 883281229 /nfs/dbraw/zinc/28/12/29/883281229.db2.gz NENRVXVNJUGTEF-IBGZPJMESA-N 1 0 389.536 3.587 20 30 GHEDRO C=C[C@@](C)(CC)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475758422 883286126 /nfs/dbraw/zinc/28/61/26/883286126.db2.gz OIZNEJGRXMOIQJ-IBGZPJMESA-N 1 0 394.357 3.737 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000609544903 883338584 /nfs/dbraw/zinc/33/85/84/883338584.db2.gz YQKLTSDHRKWJAB-UHFFFAOYSA-N 1 0 377.488 3.781 20 30 GHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000609553722 883365777 /nfs/dbraw/zinc/36/57/77/883365777.db2.gz GJVRDNLOJPWITE-SFHVURJKSA-N 1 0 379.464 3.740 20 30 GHEDRO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000858837983 883391346 /nfs/dbraw/zinc/39/13/46/883391346.db2.gz XDBPJWTVNJYJGM-NRFANRHFSA-N 1 0 375.516 3.864 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000609627706 883435375 /nfs/dbraw/zinc/43/53/75/883435375.db2.gz MEVWYWCVIWNBDO-UHFFFAOYSA-N 1 0 395.422 3.970 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000609664501 883508322 /nfs/dbraw/zinc/50/83/22/883508322.db2.gz LDPZAHHAKSNTKK-LJQANCHMSA-N 1 0 377.488 3.959 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000078602550 883524247 /nfs/dbraw/zinc/52/42/47/883524247.db2.gz ICMAATUPEBMYGS-HXUWFJFHSA-N 1 0 387.524 3.591 20 30 GHEDRO C[C@@H]1CCC[C@@H](CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609680086 883538233 /nfs/dbraw/zinc/53/82/33/883538233.db2.gz QXKFSBZJCXHCMO-UXHICEINSA-N 1 0 382.552 3.992 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000805045632 883557149 /nfs/dbraw/zinc/55/71/49/883557149.db2.gz UYHHPGOBJWSHRC-SFTDATJTSA-N 1 0 379.504 3.659 20 30 GHEDRO C=CCNc1ncc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000136093246 883657875 /nfs/dbraw/zinc/65/78/75/883657875.db2.gz NAXKDKJGZDHDCC-UHFFFAOYSA-N 1 0 390.940 3.789 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000761694630 883718461 /nfs/dbraw/zinc/71/84/61/883718461.db2.gz UZJPPAICUNVHMD-GHTZIAJQSA-N 1 0 398.551 3.542 20 30 GHEDRO C#CCCCCCC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001130168514 883799013 /nfs/dbraw/zinc/79/90/13/883799013.db2.gz ACZZXIXPOXQEKE-UHFFFAOYSA-N 1 0 394.357 3.969 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194455206 883826970 /nfs/dbraw/zinc/82/69/70/883826970.db2.gz JBPXNQQXSCLPHQ-QFIPXVFZSA-N 1 0 393.531 3.915 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1F ZINC000805778450 884060604 /nfs/dbraw/zinc/06/06/04/884060604.db2.gz BNWQGASUJWHINZ-UAOJZALGSA-N 1 0 389.902 3.812 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000918649376 884089089 /nfs/dbraw/zinc/08/90/89/884089089.db2.gz PNWPXDQCRJVWKH-OAQYLSRUSA-N 1 0 395.503 3.633 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000498344675 884119649 /nfs/dbraw/zinc/11/96/49/884119649.db2.gz NHINICKTCCUVDL-KRWDZBQOSA-N 1 0 393.535 3.542 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@H](Cc3cccc(F)c3)c3cccc(F)c3)cnc12 ZINC000556213622 884135530 /nfs/dbraw/zinc/13/55/30/884135530.db2.gz HIHLQCOMAVFTQK-OAQYLSRUSA-N 1 0 389.409 3.953 20 30 GHEDRO N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805856113 884150684 /nfs/dbraw/zinc/15/06/84/884150684.db2.gz RGKHXVKHGUSYHK-QGZVFWFLSA-N 1 0 381.863 3.897 20 30 GHEDRO N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805856112 884150980 /nfs/dbraw/zinc/15/09/80/884150980.db2.gz RGKHXVKHGUSYHK-KRWDZBQOSA-N 1 0 381.863 3.897 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc(-c3ccccc3F)cs2)CC1 ZINC000494914494 884205781 /nfs/dbraw/zinc/20/57/81/884205781.db2.gz IJTQUMRYJYIZAN-UHFFFAOYSA-N 1 0 388.512 3.789 20 30 GHEDRO C=CCOC(=O)N1CCC(OC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000805940243 884215158 /nfs/dbraw/zinc/21/51/58/884215158.db2.gz ZTQANZAWMPMWEK-UHFFFAOYSA-N 1 0 388.508 3.861 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860038009 884280120 /nfs/dbraw/zinc/28/01/20/884280120.db2.gz MMYXUFJDHHQNLW-NBYUQASBSA-N 1 0 397.519 3.644 20 30 GHEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000193302873 884337464 /nfs/dbraw/zinc/33/74/64/884337464.db2.gz DDVAGQMDYCVHLY-GOEBONIOSA-N 1 0 379.426 3.982 20 30 GHEDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC000666249459 884399140 /nfs/dbraw/zinc/39/91/40/884399140.db2.gz DKUZBJKHHUZURJ-QFIPXVFZSA-N 1 0 391.515 3.661 20 30 GHEDRO C[C@@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1cccc(C#N)c1 ZINC000610403328 884422863 /nfs/dbraw/zinc/42/28/63/884422863.db2.gz KHPLNCGQZDEIQK-GOSISDBHSA-N 1 0 398.551 3.732 20 30 GHEDRO C=CC[C@H](C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000495035673 884430263 /nfs/dbraw/zinc/43/02/63/884430263.db2.gz JTKMYWSLKLTDBQ-DEOSSOPVSA-N 1 0 391.559 3.800 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000806262349 884517576 /nfs/dbraw/zinc/51/75/76/884517576.db2.gz DYKRWUVLXOMILY-DEOSSOPVSA-N 1 0 389.499 3.829 20 30 GHEDRO COc1cccc(N2CCC[C@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2)c1 ZINC000117390326 884551393 /nfs/dbraw/zinc/55/13/93/884551393.db2.gz ZCWCPABVMUQALX-FQEVSTJZSA-N 1 0 378.520 3.804 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCOC34CCOCC4)c2)c1 ZINC000898116747 884596860 /nfs/dbraw/zinc/59/68/60/884596860.db2.gz SPUNKYVXYHKRFA-QFIPXVFZSA-N 1 0 378.472 3.565 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000495126423 884604133 /nfs/dbraw/zinc/60/41/33/884604133.db2.gz HCSXBAISEGCPPR-RDJZCZTQSA-N 1 0 395.341 3.549 20 30 GHEDRO Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000860449523 884686782 /nfs/dbraw/zinc/68/67/82/884686782.db2.gz AOTKJZNVVDWDQB-QHAWAJNXSA-N 1 0 398.510 3.908 20 30 GHEDRO CCn1c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc2c1cccc2F ZINC000103139472 884773698 /nfs/dbraw/zinc/77/36/98/884773698.db2.gz LOLXZKLRWWRYJT-UHFFFAOYSA-N 1 0 391.494 3.775 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCCCC1 ZINC000487853958 884775330 /nfs/dbraw/zinc/77/53/30/884775330.db2.gz IXHUVNJAMZEMEX-UHFFFAOYSA-N 1 0 379.302 3.707 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000806551084 884802506 /nfs/dbraw/zinc/80/25/06/884802506.db2.gz IDWZLVDMZGYQFQ-SAMUYDCASA-N 1 0 383.492 3.668 20 30 GHEDRO C#CCC(CC#C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000806610069 884848767 /nfs/dbraw/zinc/84/87/67/884848767.db2.gz LQKKTRWHCUKZTP-IBGZPJMESA-N 1 0 378.438 3.867 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610604695 884856225 /nfs/dbraw/zinc/85/62/25/884856225.db2.gz GZILAYNOFXCVKG-UWVGGRQHSA-N 1 0 385.333 3.621 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610614158 884869209 /nfs/dbraw/zinc/86/92/09/884869209.db2.gz CWVKWQJDWHRELI-RYUDHWBXSA-N 1 0 379.304 3.559 20 30 GHEDRO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001183892939 912878322 /nfs/dbraw/zinc/87/83/22/912878322.db2.gz YRZOWTAHEPUPOE-FQEVSTJZSA-N 1 0 386.499 3.671 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000106036537 884937063 /nfs/dbraw/zinc/93/70/63/884937063.db2.gz GWMLRZAYXJMLMD-UHFFFAOYSA-N 1 0 394.288 3.840 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000110353417 884985117 /nfs/dbraw/zinc/98/51/17/884985117.db2.gz FJFBROQMAJUUGD-MRXNPFEDSA-N 1 0 376.460 3.501 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000806808016 885008706 /nfs/dbraw/zinc/00/87/06/885008706.db2.gz SHTPAJXMYGYUDQ-UHFFFAOYSA-N 1 0 384.343 3.553 20 30 GHEDRO C=CCC1(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCC1 ZINC000453965979 885015904 /nfs/dbraw/zinc/01/59/04/885015904.db2.gz AXPXGOYQCNUOQW-UHFFFAOYSA-N 1 0 383.536 3.516 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCc3ccccn3)cc2)CC1 ZINC000106261692 885021058 /nfs/dbraw/zinc/02/10/58/885021058.db2.gz OTARHPSXKGUILG-UHFFFAOYSA-N 1 0 394.519 3.500 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000806855947 885061864 /nfs/dbraw/zinc/06/18/64/885061864.db2.gz ATIFBKVZWZMNPG-FPOVZHCZSA-N 1 0 381.545 3.976 20 30 GHEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460374549 885097015 /nfs/dbraw/zinc/09/70/15/885097015.db2.gz IGXSDNQKXACJHV-HXUWFJFHSA-N 1 0 395.551 3.723 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000130785365 885125434 /nfs/dbraw/zinc/12/54/34/885125434.db2.gz MBEITIVNCNKFJH-UHFFFAOYSA-N 1 0 382.942 3.833 20 30 GHEDRO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556506974 885164557 /nfs/dbraw/zinc/16/45/57/885164557.db2.gz YZZQTNOSFRFGHI-HXUWFJFHSA-N 1 0 377.488 3.803 20 30 GHEDRO CC(C)[C@H](CO)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173413557 885170554 /nfs/dbraw/zinc/17/05/54/885170554.db2.gz URMADWYUXZITHY-FQEVSTJZSA-N 1 0 376.460 3.627 20 30 GHEDRO Cc1nc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc2n1-c1ccccc1 ZINC000104326700 885366394 /nfs/dbraw/zinc/36/63/94/885366394.db2.gz YQPQSDDTOYFEJL-UHFFFAOYSA-N 1 0 389.503 3.642 20 30 GHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000784549553 885537154 /nfs/dbraw/zinc/53/71/54/885537154.db2.gz BNXGWISXVXUPPC-LBPRGKRZSA-N 1 0 392.384 3.640 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762221066 885771933 /nfs/dbraw/zinc/77/19/33/885771933.db2.gz MTGJCUHQTWBYKL-IBGZPJMESA-N 1 0 381.451 3.576 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC001184034318 912976892 /nfs/dbraw/zinc/97/68/92/912976892.db2.gz ARMHFIXTVAYXHA-ZWKOTPCHSA-N 1 0 398.532 3.898 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC001184034314 912977335 /nfs/dbraw/zinc/97/73/35/912977335.db2.gz ARMHFIXTVAYXHA-MSOLQXFVSA-N 1 0 398.532 3.898 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)/C=C\c3ccccc3C#N)C2)s1 ZINC000808060967 885962862 /nfs/dbraw/zinc/96/28/62/885962862.db2.gz SEQLQUANPWAGKF-IQBZNYMQSA-N 1 0 379.529 3.922 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)c(F)c1 ZINC001184097608 912999013 /nfs/dbraw/zinc/99/90/13/912999013.db2.gz KBRPFVMYIYFFQX-LJQANCHMSA-N 1 0 389.268 3.943 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000862097679 886104681 /nfs/dbraw/zinc/10/46/81/886104681.db2.gz UDHOMRZRNVTVST-HMXCVIKNSA-N 1 0 393.556 3.621 20 30 GHEDRO COC(=O)CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCO1 ZINC000532575363 886152056 /nfs/dbraw/zinc/15/20/56/886152056.db2.gz FVCYWPNOHOVINL-OAQYLSRUSA-N 1 0 378.472 3.769 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000808287028 886191628 /nfs/dbraw/zinc/19/16/28/886191628.db2.gz HVKYWKTWVFXGKX-JLSDUUJJSA-N 1 0 379.907 3.819 20 30 GHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000762481028 886271764 /nfs/dbraw/zinc/27/17/64/886271764.db2.gz NONYZZAXQCJJMS-XLIONFOSSA-N 1 0 386.540 3.772 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(Cl)ccc1Cl ZINC000499047457 886445566 /nfs/dbraw/zinc/44/55/66/886445566.db2.gz GDWZSGQVRMIJSJ-UHFFFAOYSA-N 1 0 390.314 3.998 20 30 GHEDRO C=C(Br)CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747501571 886449351 /nfs/dbraw/zinc/44/93/51/886449351.db2.gz QSHKZHGNJAQFEP-IBGZPJMESA-N 1 0 392.341 3.593 20 30 GHEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC2(CCCC2)c2ccccc21 ZINC000086794765 886481817 /nfs/dbraw/zinc/48/18/17/886481817.db2.gz HKXOYBSJDAKERH-UHFFFAOYSA-N 1 0 382.552 3.542 20 30 GHEDRO CON=Cc1ccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000919847573 886524843 /nfs/dbraw/zinc/52/48/43/886524843.db2.gz OMTPWUZAEYABFE-QFIPXVFZSA-N 1 0 393.531 3.870 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000808670607 886664886 /nfs/dbraw/zinc/66/48/86/886664886.db2.gz KSPCJZONFLWMLG-PCANVONCSA-N 1 0 383.879 3.675 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000808670604 886665056 /nfs/dbraw/zinc/66/50/56/886665056.db2.gz KSPCJZONFLWMLG-DVZTZUIZSA-N 1 0 383.879 3.675 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670195658 886676651 /nfs/dbraw/zinc/67/66/51/886676651.db2.gz XVHVWDCMWZYTKT-HXUWFJFHSA-N 1 0 383.515 3.649 20 30 GHEDRO C[C@H](c1nnc(-c2cccs2)o1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054454815 886679658 /nfs/dbraw/zinc/67/96/58/886679658.db2.gz XLDBHSBAOFYKRY-MRXNPFEDSA-N 1 0 393.516 3.939 20 30 GHEDRO N#Cc1ccc(CN(C(=O)C2CC3(C2)CC(F)(F)C3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001184204724 913070053 /nfs/dbraw/zinc/07/00/53/913070053.db2.gz KYILWTQUZRZOSO-WGSAOQKQSA-N 1 0 387.474 3.982 20 30 GHEDRO CC(C)[NH+](CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(C)C ZINC000032480556 886801535 /nfs/dbraw/zinc/80/15/35/886801535.db2.gz UPJNMENDWVLSLD-UHFFFAOYSA-N 1 0 379.504 3.986 20 30 GHEDRO C[C@H](Nc1ccc(C#Cc2ccc(Br)cc2)cc1)[C@H]1C[NH2+]CCO1 ZINC001170567101 886993753 /nfs/dbraw/zinc/99/37/53/886993753.db2.gz JAEQAQYJKXPHHP-MGPUTAFESA-N 1 0 385.305 3.638 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)CC1 ZINC000171719106 887051006 /nfs/dbraw/zinc/05/10/06/887051006.db2.gz GYVYQUGBOCSLAJ-UHFFFAOYSA-N 1 0 377.488 3.628 20 30 GHEDRO N#CCOc1cccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000287108922 913107138 /nfs/dbraw/zinc/10/71/38/913107138.db2.gz SYHVKAFAMOOLNC-HSZRJFAPSA-N 1 0 390.487 3.719 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000863549710 887207584 /nfs/dbraw/zinc/20/75/84/887207584.db2.gz PJUBYHDKRDBNOA-QFIPXVFZSA-N 1 0 388.467 3.667 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cccc(C(F)(F)F)c3Cl)CC2)C1=O ZINC001275301450 913126775 /nfs/dbraw/zinc/12/67/75/913126775.db2.gz CUZUFNPMEFEACR-UHFFFAOYSA-N 1 0 384.829 3.807 20 30 GHEDRO CC(Cc1cccs1)=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000729635850 887352888 /nfs/dbraw/zinc/35/28/88/887352888.db2.gz PNOGNPYNKKODNJ-UHFFFAOYSA-N 1 0 386.590 3.795 20 30 GHEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000119804789 887531178 /nfs/dbraw/zinc/53/11/78/887531178.db2.gz VQZBJNFOLLLCFT-NRFANRHFSA-N 1 0 386.503 3.813 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CC[C@H](O)c3ccc(Cl)c(Cl)c3)n2c1 ZINC000809754823 887797415 /nfs/dbraw/zinc/79/74/15/887797415.db2.gz FADFNDSTLUEOAL-KRWDZBQOSA-N 1 0 375.259 3.726 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810126829 888190837 /nfs/dbraw/zinc/19/08/37/888190837.db2.gz NFHXZVONIZPHRR-KRWDZBQOSA-N 1 0 390.487 3.755 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC001132088544 888219274 /nfs/dbraw/zinc/21/92/74/888219274.db2.gz YNPANASUPJYBET-PGRDOPGGSA-N 1 0 393.556 3.676 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1C#N ZINC000810169438 888229954 /nfs/dbraw/zinc/22/99/54/888229954.db2.gz QEVMDGCOYZYHLH-UHFFFAOYSA-N 1 0 380.448 3.755 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C#N)ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000248997040 888238372 /nfs/dbraw/zinc/23/83/72/888238372.db2.gz GVKAGQFTSPIVSC-IRLDBZIGSA-N 1 0 390.487 3.975 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(S(=O)(=O)CC)s2)c(O)c1 ZINC000794831565 888246550 /nfs/dbraw/zinc/24/65/50/888246550.db2.gz BYDJTGJMZKFBAK-XDHOZWIPSA-N 1 0 380.535 3.713 20 30 GHEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000194388705 888292357 /nfs/dbraw/zinc/29/23/57/888292357.db2.gz RDXSDKKMHODJHA-UHFFFAOYSA-N 1 0 388.533 3.570 20 30 GHEDRO C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C1=CC[N@H+](C)CC1 ZINC000272683744 888399142 /nfs/dbraw/zinc/39/91/42/888399142.db2.gz LKTSUTXSABQEER-KRWDZBQOSA-N 1 0 375.472 3.517 20 30 GHEDRO CN(C)c1ccc(C#N)cc1CNc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000865519815 888403739 /nfs/dbraw/zinc/40/37/39/888403739.db2.gz GZJARJHHRXXQNE-UHFFFAOYSA-N 1 0 377.536 3.767 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)cc1)C(C)C ZINC001184472385 913243486 /nfs/dbraw/zinc/24/34/86/913243486.db2.gz ZHXZHRYSDWTEBK-UHFFFAOYSA-N 1 0 388.475 3.826 20 30 GHEDRO CCOc1c(OC)cc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1OC ZINC000865697144 888520769 /nfs/dbraw/zinc/52/07/69/888520769.db2.gz TYQQBYZWRNDIJJ-UHFFFAOYSA-N 1 0 395.503 3.733 20 30 GHEDRO N#CCC[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000194267597 888571243 /nfs/dbraw/zinc/57/12/43/888571243.db2.gz OIRYCPMOXXIKRP-UNMCSNQZSA-N 1 0 376.504 3.853 20 30 GHEDRO Cc1cccnc1[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C ZINC000120922711 888758352 /nfs/dbraw/zinc/75/83/52/888758352.db2.gz FSNXGRNNBZDRCB-UTKZUKDTSA-N 1 0 385.471 3.914 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(OC)cc(OC)c2)no1 ZINC001211976030 888783743 /nfs/dbraw/zinc/78/37/43/888783743.db2.gz XOONFBVVGVQAGD-APWZRJJASA-N 1 0 389.496 3.832 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763396228 889219654 /nfs/dbraw/zinc/21/96/54/889219654.db2.gz CSQNIMWSFDSFBI-SFTDATJTSA-N 1 0 399.535 3.703 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763408105 889232786 /nfs/dbraw/zinc/23/27/86/889232786.db2.gz PBAOGSWXAOMWHC-NJYVYQBISA-N 1 0 399.535 3.703 20 30 GHEDRO CCOC(=O)c1ccccc1NC(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000532927200 889299238 /nfs/dbraw/zinc/29/92/38/889299238.db2.gz SQSWFGCTNMRGIQ-MRXNPFEDSA-N 1 0 379.460 3.757 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000868115819 889303172 /nfs/dbraw/zinc/30/31/72/889303172.db2.gz DIXFISGYFURFQA-MOPGFXCFSA-N 1 0 392.459 3.717 20 30 GHEDRO CCCN(CC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000532952870 889367858 /nfs/dbraw/zinc/36/78/58/889367858.db2.gz ZYVOCUFAXGVZNY-HXUWFJFHSA-N 1 0 396.560 3.935 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000124086970 889502484 /nfs/dbraw/zinc/50/24/84/889502484.db2.gz KZJQXJPMUOWZPZ-NHCUHLMSSA-N 1 0 387.524 3.531 20 30 GHEDRO CC(C)(CCC#N)C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000124104428 889506772 /nfs/dbraw/zinc/50/67/72/889506772.db2.gz MOZPEGJAVWPWEP-UHFFFAOYSA-N 1 0 387.915 3.838 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000063404101 889603013 /nfs/dbraw/zinc/60/30/13/889603013.db2.gz LBTDIHRBWNSDAQ-QFIPXVFZSA-N 1 0 376.504 3.867 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287538464 913395155 /nfs/dbraw/zinc/39/51/55/913395155.db2.gz XWVSGUFRNILBQG-FRIKZZABSA-N 1 0 397.563 3.503 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)c2)CC1 ZINC000454993988 890103149 /nfs/dbraw/zinc/10/31/49/890103149.db2.gz DGACWPBKQYUHHY-UHFFFAOYSA-N 1 0 390.531 3.513 20 30 GHEDRO C=CCCCCCCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000811926363 890121278 /nfs/dbraw/zinc/12/12/78/890121278.db2.gz BUHLCGBWMFRDJG-UHFFFAOYSA-N 1 0 378.605 3.713 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1Cl ZINC001133099532 890152662 /nfs/dbraw/zinc/15/26/62/890152662.db2.gz KZDXWGIKLMHPMS-IBGZPJMESA-N 1 0 380.879 3.748 20 30 GHEDRO N#Cc1cc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1Cl ZINC001184767674 913421304 /nfs/dbraw/zinc/42/13/04/913421304.db2.gz BWHUIGGWJBTNJE-UHFFFAOYSA-N 1 0 395.956 3.679 20 30 GHEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000533309884 890221702 /nfs/dbraw/zinc/22/17/02/890221702.db2.gz XACRQEUNFPATML-QUCCMNQESA-N 1 0 399.498 3.636 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000795101590 890255206 /nfs/dbraw/zinc/25/52/06/890255206.db2.gz QDPMVVXAERIJDR-QUCCMNQESA-N 1 0 385.508 3.658 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000916837129 890273253 /nfs/dbraw/zinc/27/32/53/890273253.db2.gz PCHMEHNUJPCGMJ-UHFFFAOYSA-N 1 0 375.266 3.742 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000916896470 890340192 /nfs/dbraw/zinc/34/01/92/890340192.db2.gz IHBFZCMSLHADIS-NRFANRHFSA-N 1 0 375.472 3.942 20 30 GHEDRO COc1ccccc1CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000533401064 890417469 /nfs/dbraw/zinc/41/74/69/890417469.db2.gz RKNHQNWVFAREIR-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO C=CCCCCCCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000812495723 890680044 /nfs/dbraw/zinc/68/00/44/890680044.db2.gz VHXOYRHGIBRFCF-UHFFFAOYSA-N 1 0 378.605 3.572 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000455319793 890779263 /nfs/dbraw/zinc/77/92/63/890779263.db2.gz AEYZJLPXTRBLEC-UHFFFAOYSA-N 1 0 376.504 3.754 20 30 GHEDRO [NH2+]=C(NCc1csc(-c2ccco2)n1)NCc1ccc(OC(F)(F)F)cc1 ZINC000123605490 890799982 /nfs/dbraw/zinc/79/99/82/890799982.db2.gz WORWTZOBHRMNBD-UHFFFAOYSA-N 1 0 396.394 3.906 20 30 GHEDRO C[C@@H](CNc1cc(C(F)(F)F)cc(C#N)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC001184855287 913492392 /nfs/dbraw/zinc/49/23/92/913492392.db2.gz BPIZWWBVMDAQGL-HNNXBMFYSA-N 1 0 389.425 3.595 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000812777551 890954812 /nfs/dbraw/zinc/95/48/12/890954812.db2.gz NXGPCGNWZRXLQQ-QHCPKHFHSA-N 1 0 380.488 3.911 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(CC#N)ccn1)c1cccc(C(F)(F)F)c1 ZINC000871727117 890993265 /nfs/dbraw/zinc/99/32/65/890993265.db2.gz FYLFMKVZEHNMAL-INIZCTEOSA-N 1 0 391.397 3.591 20 30 GHEDRO COc1ccc([C@H](O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000812855536 891049744 /nfs/dbraw/zinc/04/97/44/891049744.db2.gz NQKCYMMYACYJLV-QHCPKHFHSA-N 1 0 380.488 3.781 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812879167 891060541 /nfs/dbraw/zinc/06/05/41/891060541.db2.gz MPXSCQHGVKOQRS-JOCHJYFZSA-N 1 0 379.479 3.711 20 30 GHEDRO NC(=NOCc1nc(C2CCCC2)no1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000154277412 891077400 /nfs/dbraw/zinc/07/74/00/891077400.db2.gz IWEJULYZSDALPM-UHFFFAOYSA-N 1 0 383.496 3.550 20 30 GHEDRO C[C@H]1C[C@H](CCNC(=O)NCc2ccc(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000455528916 891090615 /nfs/dbraw/zinc/09/06/15/891090615.db2.gz AZHHTFPDQJDOBY-PXNSSMCTSA-N 1 0 394.494 3.797 20 30 GHEDRO N#Cc1ccccc1N1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000872222430 891213120 /nfs/dbraw/zinc/21/31/20/891213120.db2.gz UTWZGOBUUOUGFH-FQEVSTJZSA-N 1 0 389.421 3.869 20 30 GHEDRO CSc1nnc(SC)n1[NH+]=C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000872418315 891258805 /nfs/dbraw/zinc/25/88/05/891258805.db2.gz KGQZYUMJAWOTNT-INIZCTEOSA-N 1 0 385.559 3.593 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000247853919 891397179 /nfs/dbraw/zinc/39/71/79/891397179.db2.gz XLPWEGAWZBXJCT-HVETUWLQSA-N 1 0 399.922 3.792 20 30 GHEDRO C#CCNC(=O)C1CCN(c2c3cc(C)c(F)cc3[nH+]c3c2CCCC3)CC1 ZINC000825668252 891532600 /nfs/dbraw/zinc/53/26/00/891532600.db2.gz NHGWLECREDAYOZ-UHFFFAOYSA-N 1 0 379.479 3.527 20 30 GHEDRO N#CC1(COC(=O)Cc2csc(C3CC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000873544466 891678640 /nfs/dbraw/zinc/67/86/40/891678640.db2.gz ITTWSMHJRXLYOU-UHFFFAOYSA-N 1 0 395.528 3.912 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000614993326 891703739 /nfs/dbraw/zinc/70/37/39/891703739.db2.gz BPMJTVMWFZCLNS-UHFFFAOYSA-N 1 0 376.382 3.847 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275369609 913587169 /nfs/dbraw/zinc/58/71/69/913587169.db2.gz COJFDWHKUSWGDE-UHFFFAOYSA-N 1 0 375.944 3.797 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccs2)Cc2ccccc2OC)CC1 ZINC000067708489 891738181 /nfs/dbraw/zinc/73/81/81/891738181.db2.gz OCMHLMKBADOXPE-UHFFFAOYSA-N 1 0 382.529 3.631 20 30 GHEDRO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000497612432 892012102 /nfs/dbraw/zinc/01/21/02/892012102.db2.gz RPDZWQBYGMUHET-IAGOWNOFSA-N 1 0 395.503 3.836 20 30 GHEDRO CC[N@H+](C[C@@H](O)COc1ccc(C(C)=O)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000497618816 892022770 /nfs/dbraw/zinc/02/27/70/892022770.db2.gz PKQFHFZOUGGHEH-IIBYNOLFSA-N 1 0 396.487 3.592 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000497634615 892046710 /nfs/dbraw/zinc/04/67/10/892046710.db2.gz SQPABIXXNYWXML-UHFFFAOYSA-N 1 0 380.488 3.608 20 30 GHEDRO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000497745283 892354209 /nfs/dbraw/zinc/35/42/09/892354209.db2.gz DVTKJHNXEADXGG-OAQYLSRUSA-N 1 0 376.456 3.902 20 30 GHEDRO COc1cccc2c1CC[C@H]([NH2+]C1CCC(Oc3ccc(C#N)cn3)CC1)C2 ZINC000192446308 892420605 /nfs/dbraw/zinc/42/06/05/892420605.db2.gz FOHSYXLZPJAOOH-GPJFCIFZSA-N 1 0 377.488 3.799 20 30 GHEDRO CCc1c(C)sc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C#N ZINC000875298519 892533847 /nfs/dbraw/zinc/53/38/47/892533847.db2.gz YISOHDNVSFRETF-HKUYNNGSSA-N 1 0 399.564 3.677 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271748519 892876784 /nfs/dbraw/zinc/87/67/84/892876784.db2.gz XCSKJQIFZSIQIA-SFTDATJTSA-N 1 0 392.499 3.722 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C)C1 ZINC000455696259 893004562 /nfs/dbraw/zinc/00/45/62/893004562.db2.gz BVNHCMHLOMKYNI-CRAIPNDOSA-N 1 0 392.931 3.665 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000814674002 893049933 /nfs/dbraw/zinc/04/99/33/893049933.db2.gz MXPQNELLCMKWNE-RTBURBONSA-N 1 0 384.524 3.812 20 30 GHEDRO CCn1c(=O)c2ccccc2nc1N=NC1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814770799 893158248 /nfs/dbraw/zinc/15/82/48/893158248.db2.gz NMCKYOOMOXZJLF-KRWDZBQOSA-N 1 0 389.503 3.869 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508750050 893175604 /nfs/dbraw/zinc/17/56/04/893175604.db2.gz YIDXWONUPWTOHZ-QGZVFWFLSA-N 1 0 387.503 3.521 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 ZINC000876583195 893237899 /nfs/dbraw/zinc/23/78/99/893237899.db2.gz HKBSCEWQHJANBK-MLGOLLRUSA-N 1 0 384.307 3.763 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)c1CC ZINC000876659460 893277641 /nfs/dbraw/zinc/27/76/41/893277641.db2.gz XVOZFCAVEHQDTB-CYBMUJFWSA-N 1 0 397.704 3.810 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000563058554 893327691 /nfs/dbraw/zinc/32/76/91/893327691.db2.gz NSEFKMPBOWWKBN-NGRWLJPCSA-N 1 0 382.552 3.868 20 30 GHEDRO N#CCCC1CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000563069451 893336912 /nfs/dbraw/zinc/33/69/12/893336912.db2.gz WHVPIKLOOPFTCB-QGZVFWFLSA-N 1 0 381.398 3.706 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001185253107 913762439 /nfs/dbraw/zinc/76/24/39/913762439.db2.gz WFLMORRYDLRPEN-UHFFFAOYSA-N 1 0 398.572 3.791 20 30 GHEDRO COc1ccccc1N1CCC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000934181049 893444853 /nfs/dbraw/zinc/44/48/53/893444853.db2.gz YYVVQIWAVVXUKE-XMMPIXPASA-N 1 0 391.515 3.648 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)c2)s1 ZINC000877050074 893458098 /nfs/dbraw/zinc/45/80/98/893458098.db2.gz XUIHLCCRYZANFU-UHFFFAOYSA-N 1 0 379.445 3.885 20 30 GHEDRO N#CCC[C@H](C#N)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000815126328 893458929 /nfs/dbraw/zinc/45/89/29/893458929.db2.gz LJAVTYLHSSTBAA-CQSZACIVSA-N 1 0 394.288 3.713 20 30 GHEDRO CC(C)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000154694529 893467979 /nfs/dbraw/zinc/46/79/79/893467979.db2.gz VZQZSVIJZWWDKW-FQEVSTJZSA-N 1 0 383.442 3.649 20 30 GHEDRO C=C[C@@H](CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)c1ccccc1 ZINC000563209733 893481020 /nfs/dbraw/zinc/48/10/20/893481020.db2.gz WZTCOIGGQJVCQG-SFHVURJKSA-N 1 0 392.547 3.943 20 30 GHEDRO O=C(C#Cc1cccs1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825944667 893515047 /nfs/dbraw/zinc/51/50/47/893515047.db2.gz DABKRIAZQBOYGJ-INIZCTEOSA-N 1 0 378.419 3.509 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)c3ccccc3CC3CC[NH2+]CC3)cn2)cc1 ZINC000877214586 893533552 /nfs/dbraw/zinc/53/35/52/893533552.db2.gz DBHMMVZRHIQQNO-UHFFFAOYSA-N 1 0 399.498 3.597 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1C ZINC000934332057 893552722 /nfs/dbraw/zinc/55/27/22/893552722.db2.gz CPWCIXYLGHRYPI-GOSISDBHSA-N 1 0 382.533 3.571 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000459485392 893599999 /nfs/dbraw/zinc/59/99/99/893599999.db2.gz ITQYHZOEGZUWMD-UHFFFAOYSA-N 1 0 390.487 3.955 20 30 GHEDRO CC(C)(C)OC(=O)NCC1(C[NH+]2CCC(C#N)(c3ccccn3)CC2)CCC1 ZINC000877498644 893647583 /nfs/dbraw/zinc/64/75/83/893647583.db2.gz SFGUXVVWFLKONY-UHFFFAOYSA-N 1 0 384.524 3.634 20 30 GHEDRO CC(C)(C)OC(=O)NC(=S)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137121455 893651871 /nfs/dbraw/zinc/65/18/71/893651871.db2.gz MIYSWYLJWXUXRT-UHFFFAOYSA-N 1 0 389.521 3.653 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000877569887 893696237 /nfs/dbraw/zinc/69/62/37/893696237.db2.gz CNDQRQQPZWWSMM-QZTJIDSGSA-N 1 0 379.545 3.855 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877584133 893703491 /nfs/dbraw/zinc/70/34/91/893703491.db2.gz OTHUFRBKLUTLLX-GOSISDBHSA-N 1 0 381.442 3.805 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000444811667 893733906 /nfs/dbraw/zinc/73/39/06/893733906.db2.gz IWPRKFQVXKHULT-PMACEKPBSA-N 1 0 393.535 3.552 20 30 GHEDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC001135000578 893781641 /nfs/dbraw/zinc/78/16/41/893781641.db2.gz HUCZJAZEZZMRTC-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000877943761 893905963 /nfs/dbraw/zinc/90/59/63/893905963.db2.gz QBNOFHKRTDHMBG-MBSDFSHPSA-N 1 0 387.487 3.701 20 30 GHEDRO OC[C@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000563571152 893917060 /nfs/dbraw/zinc/91/70/60/893917060.db2.gz LGABTVOESHEHFT-NEPJUHHUSA-N 1 0 389.311 3.760 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC000826011488 893956703 /nfs/dbraw/zinc/95/67/03/893956703.db2.gz AQPNPTWKXMZAHF-UHFFFAOYSA-N 1 0 378.488 3.684 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2cccc3cccnc32)c(OC)c1 ZINC000563806300 894210374 /nfs/dbraw/zinc/21/03/74/894210374.db2.gz QEPVUIRNQZJGOO-HXUWFJFHSA-N 1 0 378.472 3.501 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691028 894281246 /nfs/dbraw/zinc/28/12/46/894281246.db2.gz HVQBEHLNEJKICG-FQEVSTJZSA-O 1 0 397.564 3.861 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000537076778 894297940 /nfs/dbraw/zinc/29/79/40/894297940.db2.gz QAEDJRMPQVPHBC-JTSKRJEESA-N 1 0 397.494 3.716 20 30 GHEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537097003 894306285 /nfs/dbraw/zinc/30/62/85/894306285.db2.gz VKNRFADHAXHCMP-KRWDZBQOSA-N 1 0 386.455 3.935 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1CCC(O)(c2c(F)cccc2F)CC1)c1ccccc1 ZINC000878460996 894308601 /nfs/dbraw/zinc/30/86/01/894308601.db2.gz DHLXHPHUAXTEGD-QFIPXVFZSA-N 1 0 398.453 3.689 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)C2(C#N)CCOCC2)cc1)C[C@@H]1CCCCO1 ZINC000537120268 894341786 /nfs/dbraw/zinc/34/17/86/894341786.db2.gz GXHCLFNKOPQPFL-NRFANRHFSA-N 1 0 399.535 3.725 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000537124183 894346945 /nfs/dbraw/zinc/34/69/45/894346945.db2.gz DRGCVENZINIRDW-MRXNPFEDSA-N 1 0 387.499 3.950 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC000537124276 894348522 /nfs/dbraw/zinc/34/85/22/894348522.db2.gz JGWJXTVOCZSSDL-NRFANRHFSA-N 1 0 379.504 3.775 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1CCC[C@@H](Oc2ncccc2F)C1)c1ccccc1 ZINC000878525179 894358959 /nfs/dbraw/zinc/35/89/59/894358959.db2.gz YFYOZNUUHLLHQL-DENIHFKCSA-N 1 0 381.451 3.505 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(F)F ZINC000826047891 894362197 /nfs/dbraw/zinc/36/21/97/894362197.db2.gz CSRXSKYSYXRTEH-MRXNPFEDSA-N 1 0 379.451 3.880 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000022796268 894406749 /nfs/dbraw/zinc/40/67/49/894406749.db2.gz NSDXEELQOCVVCS-UHFFFAOYSA-O 1 0 382.553 3.761 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H]3CCC4(CCOCC4)CO3)CC2)c(F)c1 ZINC000878610197 894439428 /nfs/dbraw/zinc/43/94/28/894439428.db2.gz UVJGPEDCPQQEJR-LJQANCHMSA-N 1 0 388.483 3.516 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022803622 894450310 /nfs/dbraw/zinc/45/03/10/894450310.db2.gz VGWLGXCNNPHMOG-UHFFFAOYSA-O 1 0 398.508 3.700 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 ZINC000022803824 894452260 /nfs/dbraw/zinc/45/22/60/894452260.db2.gz PTJYPBJYQPRTGG-UHFFFAOYSA-O 1 0 398.508 3.700 20 30 GHEDRO N#Cc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1Br ZINC000460018411 894527790 /nfs/dbraw/zinc/52/77/90/894527790.db2.gz GJUIPBSTKVOUNU-MRXNPFEDSA-N 1 0 396.288 3.946 20 30 GHEDRO C[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000878936774 894735826 /nfs/dbraw/zinc/73/58/26/894735826.db2.gz KVZVIHWPNZUFEA-MRXNPFEDSA-N 1 0 382.439 3.639 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000564442103 894985517 /nfs/dbraw/zinc/98/55/17/894985517.db2.gz ZIJSORGUXIBCKP-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO C#CCC1(NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000888776644 895114544 /nfs/dbraw/zinc/11/45/44/895114544.db2.gz CIJSNWQWGSKBPM-UHFFFAOYSA-N 1 0 387.549 3.569 20 30 GHEDRO COC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000879663605 895213321 /nfs/dbraw/zinc/21/33/21/895213321.db2.gz MSKZKBOPYPOTRX-KRWDZBQOSA-N 1 0 381.314 3.827 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001135769012 895217428 /nfs/dbraw/zinc/21/74/28/895217428.db2.gz QAKAWTRMKSWHFL-UHFFFAOYSA-N 1 0 398.304 3.847 20 30 GHEDRO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(=O)Nc2ccc(C#N)c(Cl)c2)no1 ZINC000879683840 895233792 /nfs/dbraw/zinc/23/37/92/895233792.db2.gz ZDKFQBHLACHOHW-ZXFUBFMLSA-N 1 0 399.882 3.642 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000565292449 895512349 /nfs/dbraw/zinc/51/23/49/895512349.db2.gz UUYBFZOOODXABV-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO CCOC(=O)c1sc(CC2CC[NH+](CCCSCC#N)CC2)nc1C ZINC000880264758 895600793 /nfs/dbraw/zinc/60/07/93/895600793.db2.gz HFWFEHPFMQGEBI-UHFFFAOYSA-N 1 0 381.567 3.530 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](c3nccs3)C1)CCCC2 ZINC000880314022 895630799 /nfs/dbraw/zinc/63/07/99/895630799.db2.gz JYTUUIDABXYDOH-ZDUSSCGKSA-N 1 0 386.546 3.773 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001137154215 895688324 /nfs/dbraw/zinc/68/83/24/895688324.db2.gz ZLZFCVLYRKMBOB-MTBFFHQGSA-N 1 0 376.500 3.903 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)cc1 ZINC000565535780 895708518 /nfs/dbraw/zinc/70/85/18/895708518.db2.gz SQWRJIMBTZKOSK-UHFFFAOYSA-N 1 0 392.883 3.602 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC001170881993 895942907 /nfs/dbraw/zinc/94/29/07/895942907.db2.gz OQSMKXCSSGEQMX-SFHVURJKSA-N 1 0 377.533 3.686 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC001136081970 895993529 /nfs/dbraw/zinc/99/35/29/895993529.db2.gz XODKFNQGQWLRTO-WMZHIEFXSA-N 1 0 377.532 3.806 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1cccc(C#N)c1 ZINC000881136852 896187239 /nfs/dbraw/zinc/18/72/39/896187239.db2.gz JGTXVZTUPRMUCR-JTSKRJEESA-N 1 0 389.503 3.725 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CC#N)n1 ZINC000881152452 896201764 /nfs/dbraw/zinc/20/17/64/896201764.db2.gz HZMCQTPOIKNGMC-LJQANCHMSA-N 1 0 377.492 3.524 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 ZINC000819049688 896340645 /nfs/dbraw/zinc/34/06/45/896340645.db2.gz FURDZUCMMONUSD-TZIWHRDSSA-N 1 0 387.886 3.638 20 30 GHEDRO CN(c1nccc(Oc2cccc(C#N)c2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001185756356 914065200 /nfs/dbraw/zinc/06/52/00/914065200.db2.gz NLQRYIBYOSRVHF-HXUWFJFHSA-N 1 0 385.471 3.851 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000819166326 896441312 /nfs/dbraw/zinc/44/13/12/896441312.db2.gz UDPIKEVSGVYXQU-HRAATJIYSA-N 1 0 395.503 3.967 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000566724631 896525947 /nfs/dbraw/zinc/52/59/47/896525947.db2.gz ICGPCLUGGVFWJY-JLSDUUJJSA-N 1 0 387.549 3.717 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819270739 896557858 /nfs/dbraw/zinc/55/78/58/896557858.db2.gz HPVZUVMWXYPHTF-ZWKOTPCHSA-N 1 0 375.241 3.770 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)s1 ZINC000819310848 896603602 /nfs/dbraw/zinc/60/36/02/896603602.db2.gz FBAAITDYGITRKT-CYBMUJFWSA-N 1 0 390.018 3.931 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CCNc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000819395050 896618198 /nfs/dbraw/zinc/61/81/98/896618198.db2.gz ILVDTOIYZLTRSL-UHFFFAOYSA-N 1 0 383.517 3.824 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000819376329 896649746 /nfs/dbraw/zinc/64/97/46/896649746.db2.gz AAKSJMJWECXEBN-NZQKXSOJSA-N 1 0 399.535 3.677 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1ccc(F)nc1 ZINC000882082293 896655230 /nfs/dbraw/zinc/65/52/30/896655230.db2.gz LMZLIXPFIBCTPG-OAHLLOKOSA-N 1 0 375.517 3.880 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000882120604 896668572 /nfs/dbraw/zinc/66/85/72/896668572.db2.gz YGDBRGFNCQWWSA-XLIONFOSSA-N 1 0 375.476 3.594 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC000566943839 896723346 /nfs/dbraw/zinc/72/33/46/896723346.db2.gz LCBZOYMWFWOAGL-UYAOXDASSA-N 1 0 391.581 3.755 20 30 GHEDRO N#CC[C@H](CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC000882398363 896790386 /nfs/dbraw/zinc/79/03/86/896790386.db2.gz VTUKSLUAMRCISF-OFNKIYASSA-N 1 0 388.515 3.997 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000882506841 896833376 /nfs/dbraw/zinc/83/33/76/896833376.db2.gz YSXQVMCYTAWZFX-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO C[C@]1(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+](Cc2ccccc2)C1 ZINC000567053073 896834173 /nfs/dbraw/zinc/83/41/73/896834173.db2.gz QNMPDYVIVKUQJF-QHCPKHFHSA-N 1 0 386.455 3.608 20 30 GHEDRO C=CCCCCCNC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000567177477 896942037 /nfs/dbraw/zinc/94/20/37/896942037.db2.gz IHGWLHSPXCMRBM-UHFFFAOYSA-N 1 0 386.540 3.655 20 30 GHEDRO CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000130042701 896965613 /nfs/dbraw/zinc/96/56/13/896965613.db2.gz QUOMOOSPRXVABF-UGKGYDQZSA-N 1 0 391.515 3.815 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc(-c4ccsc4)s3)C2=O)cc1 ZINC000567441656 897159949 /nfs/dbraw/zinc/15/99/49/897159949.db2.gz OKYHPPWBVMTNIQ-SFHVURJKSA-N 1 0 394.525 3.634 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000567448048 897164890 /nfs/dbraw/zinc/16/48/90/897164890.db2.gz UKVVOAFMGHLKLL-WLRLJWMZSA-N 1 0 377.550 3.651 20 30 GHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000042127334 897187803 /nfs/dbraw/zinc/18/78/03/897187803.db2.gz PRXBJTFWWLJXSI-UHFFFAOYSA-N 1 0 394.515 3.963 20 30 GHEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000883125262 897303233 /nfs/dbraw/zinc/30/32/33/897303233.db2.gz DIXINFMNCFCLPK-IBGZPJMESA-N 1 0 381.476 3.569 20 30 GHEDRO C#C[C@@H](NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000820495585 897339095 /nfs/dbraw/zinc/33/90/95/897339095.db2.gz QAUVNWBQRLSELW-FGZHOGPDSA-N 1 0 394.494 3.591 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000883220539 897380644 /nfs/dbraw/zinc/38/06/44/897380644.db2.gz LGHLWJYCRRNHMZ-IAGOWNOFSA-N 1 0 391.455 3.712 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)[C@H]1CCCO1 ZINC000883220922 897380892 /nfs/dbraw/zinc/38/08/92/897380892.db2.gz RCVAVPPLPNIMBQ-MZKRTTBSSA-N 1 0 397.519 3.515 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)CNc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(OC)c1 ZINC000567892628 897474530 /nfs/dbraw/zinc/47/45/30/897474530.db2.gz AJKQEYGGVWVHND-UNMCSNQZSA-N 1 0 396.531 3.824 20 30 GHEDRO C=CCOc1cccnc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568046482 897556261 /nfs/dbraw/zinc/55/62/61/897556261.db2.gz KXIWFLOTGKEHDK-QGZVFWFLSA-N 1 0 385.533 3.610 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccccc1 ZINC000568475236 897869379 /nfs/dbraw/zinc/86/93/79/897869379.db2.gz WOYMKJFOXRFIJY-GHTZIAJQSA-N 1 0 376.504 3.883 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CC(C)C)c2cc(Cl)ccc2OC)CC1 ZINC000132710200 897879695 /nfs/dbraw/zinc/87/96/95/897879695.db2.gz IIOVRSDCWVXWTA-LJQANCHMSA-N 1 0 376.928 3.897 20 30 GHEDRO Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821635511 897995930 /nfs/dbraw/zinc/99/59/30/897995930.db2.gz FJZAZPPEXNQNFC-HXUWFJFHSA-N 1 0 399.498 3.903 20 30 GHEDRO CCOCc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000102538511 898013718 /nfs/dbraw/zinc/01/37/18/898013718.db2.gz CLCHBKSJBLHLQX-UHFFFAOYSA-N 1 0 380.492 3.690 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000568728797 898067277 /nfs/dbraw/zinc/06/72/77/898067277.db2.gz ZVKMASLWPYOTMV-UHFFFAOYSA-N 1 0 385.581 3.961 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000106035205 898246995 /nfs/dbraw/zinc/24/69/95/898246995.db2.gz TUFBGYWMPXJJSH-UHFFFAOYSA-N 1 0 379.460 3.501 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc3cccc(F)c3c2COC)CC1 ZINC000106038456 898248313 /nfs/dbraw/zinc/24/83/13/898248313.db2.gz QZBITIXZXTVNSX-UHFFFAOYSA-N 1 0 376.497 3.957 20 30 GHEDRO CC(C)[NH2+]C1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000108370749 898377604 /nfs/dbraw/zinc/37/76/04/898377604.db2.gz MWYMBWKCFKXELW-HNNXBMFYSA-N 1 0 388.581 3.536 20 30 GHEDRO C=CC1(CC(=O)Nc2ccc(C[NH+](C)C)cc2F)CN(C(=O)OC(C)(C)C)C1 ZINC000822647150 898531199 /nfs/dbraw/zinc/53/11/99/898531199.db2.gz KAPWFRXYAGLKLX-UHFFFAOYSA-N 1 0 391.487 3.639 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](CCc3c(Cl)cccc3Cl)C2)C1=O ZINC001276331597 914267063 /nfs/dbraw/zinc/26/70/63/914267063.db2.gz LPWYXLOGWMVFRT-IBGZPJMESA-N 1 0 381.303 3.563 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000569462202 898686157 /nfs/dbraw/zinc/68/61/57/898686157.db2.gz YCIMNIZLFQZYHH-VBNZEHGJSA-N 1 0 385.309 3.741 20 30 GHEDRO Cc1csc(Sc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)n1 ZINC000884087679 898833593 /nfs/dbraw/zinc/83/35/93/898833593.db2.gz KSEGAMJNQWJCGU-BIWSTMPVSA-N 1 0 384.530 3.681 20 30 GHEDRO C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884088184 898836331 /nfs/dbraw/zinc/83/63/31/898836331.db2.gz ATGILHQHONFITP-LQTJSLJRSA-N 1 0 379.529 3.977 20 30 GHEDRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC1 ZINC000884095726 898857118 /nfs/dbraw/zinc/85/71/18/898857118.db2.gz XKMFXXIROOLBTR-KNDUCSSWSA-N 1 0 391.437 3.897 20 30 GHEDRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC1 ZINC000884095725 898857326 /nfs/dbraw/zinc/85/73/26/898857326.db2.gz XKMFXXIROOLBTR-JVVFXLCJSA-N 1 0 391.437 3.897 20 30 GHEDRO CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Cl)c(Cl)c1 ZINC000884114830 898935280 /nfs/dbraw/zinc/93/52/80/898935280.db2.gz BFDJTFJCPWCUIJ-GBRVTDDUSA-N 1 0 380.319 3.527 20 30 GHEDRO CCN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000884145696 899077344 /nfs/dbraw/zinc/07/73/44/899077344.db2.gz QFOPXWOQYOSFCK-CQLILNKWSA-N 1 0 379.426 3.754 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC001136733261 899089368 /nfs/dbraw/zinc/08/93/68/899089368.db2.gz RSFAJJRDEKCAJG-HXUWFJFHSA-N 1 0 378.520 3.960 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1[nH]c2ccccc2c1C#N ZINC001136742202 899118788 /nfs/dbraw/zinc/11/87/88/899118788.db2.gz GKAVXYFYLXPDTR-GOSISDBHSA-N 1 0 387.487 3.561 20 30 GHEDRO Cc1c(COc2ccccc2)cccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884161619 899133651 /nfs/dbraw/zinc/13/36/51/899133651.db2.gz KCQXDYCTJIIZHR-KPRXVCGWSA-N 1 0 375.472 3.652 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1Cl ZINC000570302912 899250859 /nfs/dbraw/zinc/25/08/59/899250859.db2.gz XIAINBIWPGMHDP-JOCHJYFZSA-N 1 0 379.891 3.950 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@]3(C)C(N)=O)sc2C1 ZINC000331909764 899260274 /nfs/dbraw/zinc/26/02/74/899260274.db2.gz IRKJZJRYGTUVCC-XCLFUZPHSA-N 1 0 388.537 3.853 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000823887107 899306606 /nfs/dbraw/zinc/30/66/06/899306606.db2.gz AZHBHMDRTUZWCX-APWZRJJASA-N 1 0 386.517 3.664 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@H]3CC(N)=O)sc2C1 ZINC000331973540 899310312 /nfs/dbraw/zinc/31/03/12/899310312.db2.gz RKTOXMYFTWEARS-KBPBESRZSA-N 1 0 388.537 3.853 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCCc2ccc(Cl)s2)cc1 ZINC000570509923 899352163 /nfs/dbraw/zinc/35/21/63/899352163.db2.gz NGYSVFSNPJBNSH-UHFFFAOYSA-N 1 0 382.938 3.659 20 30 GHEDRO N#CCCn1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(-c2ccncc2)n1 ZINC000570562773 899392940 /nfs/dbraw/zinc/39/29/40/899392940.db2.gz GJKAGBMQOWUKHV-UHFFFAOYSA-N 1 0 385.471 3.612 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000570564313 899393985 /nfs/dbraw/zinc/39/39/85/899393985.db2.gz LZPMVIBXHPGARW-GOSISDBHSA-N 1 0 380.960 3.752 20 30 GHEDRO CC(C)N(C)C(=O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000156151019 899449176 /nfs/dbraw/zinc/44/91/76/899449176.db2.gz RYKAFMCXJPONQV-UHFFFAOYSA-N 1 0 382.426 3.516 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000118809027 899473546 /nfs/dbraw/zinc/47/35/46/899473546.db2.gz DSZMVDRUKFSODW-OALUTQOASA-N 1 0 398.551 3.721 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000118809026 899473826 /nfs/dbraw/zinc/47/38/26/899473826.db2.gz DSZMVDRUKFSODW-MOPGFXCFSA-N 1 0 398.551 3.721 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000646247711 914352096 /nfs/dbraw/zinc/35/20/96/914352096.db2.gz WQKYRONQKMCZJZ-UHFFFAOYSA-N 1 0 382.426 3.828 20 30 GHEDRO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000570671975 899494779 /nfs/dbraw/zinc/49/47/79/899494779.db2.gz JGAGYRIYOVRFSW-UHFFFAOYSA-N 1 0 378.524 3.852 20 30 GHEDRO CN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000119745785 899676171 /nfs/dbraw/zinc/67/61/71/899676171.db2.gz KDWOBHBRNAIBPS-YADHBBJMSA-N 1 0 397.567 3.554 20 30 GHEDRO CN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000119745934 899676626 /nfs/dbraw/zinc/67/66/26/899676626.db2.gz KDWOBHBRNAIBPS-VXKWHMMOSA-N 1 0 397.567 3.554 20 30 GHEDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000570977848 899695316 /nfs/dbraw/zinc/69/53/16/899695316.db2.gz IPTRPVFBVWRXSX-UHFFFAOYSA-N 1 0 379.357 3.544 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000571076952 899733939 /nfs/dbraw/zinc/73/39/39/899733939.db2.gz ZUWMSUSMVFQSQD-FGZHOGPDSA-N 1 0 380.463 3.857 20 30 GHEDRO CC(C)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(C(F)(F)F)cc1 ZINC000884324873 899800307 /nfs/dbraw/zinc/80/03/07/899800307.db2.gz BXWCDZOIUVETJE-WSIVYLHMSA-N 1 0 379.426 3.658 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136937150 899814657 /nfs/dbraw/zinc/81/46/57/899814657.db2.gz XFCTYEVBKNPGLB-CTNGQTDRSA-N 1 0 381.463 3.904 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000120486855 899827185 /nfs/dbraw/zinc/82/71/85/899827185.db2.gz QWAPNFHNRNAZJB-JTSKRJEESA-N 1 0 377.488 3.549 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000824886934 899886181 /nfs/dbraw/zinc/88/61/81/899886181.db2.gz OHJAPZXUPCHHJE-MSOLQXFVSA-N 1 0 379.545 3.711 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000121090386 899950120 /nfs/dbraw/zinc/95/01/20/899950120.db2.gz YRUBDCSGYXAFQC-INIZCTEOSA-N 1 0 396.466 3.580 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cncc(Cl)c3)C[C@@H]2c2ccccc2)C1=O ZINC001136990887 899987584 /nfs/dbraw/zinc/98/75/84/899987584.db2.gz JAWCYMWHTZXEGH-IRLDBZIGSA-N 1 0 381.907 3.739 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCN(Cc3ccccc3)C2=O)c(O)c1 ZINC000134506871 900075731 /nfs/dbraw/zinc/07/57/31/900075731.db2.gz YEKHQDDBDNUSNQ-DOZBRYHWSA-N 1 0 379.504 3.849 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134774722 900118613 /nfs/dbraw/zinc/11/86/13/900118613.db2.gz HAMJUDLFHLOUQC-UXHICEINSA-N 1 0 384.451 3.673 20 30 GHEDRO C=CCn1c(-c2cccnc2)nn(CN2CCC(CC)([NH+]3CCC3)CC2)c1=S ZINC000884476014 900122737 /nfs/dbraw/zinc/12/27/37/900122737.db2.gz ZMRYHYDZUZJKRY-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CCC(CC)([NH+]3CCC3)CC2)c1=S ZINC000884474754 900122867 /nfs/dbraw/zinc/12/28/67/900122867.db2.gz LAWUYIJPUJQTNK-UHFFFAOYSA-N 1 0 387.553 3.768 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3cccc(OCC#N)c3)cc2)C1 ZINC000134823203 900129349 /nfs/dbraw/zinc/12/93/49/900129349.db2.gz QSCKVRSOYWQEDQ-IBGZPJMESA-N 1 0 391.515 3.680 20 30 GHEDRO Cc1nnc(N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c(C#N)c1C ZINC000884592239 900185840 /nfs/dbraw/zinc/18/58/40/900185840.db2.gz IYFOFYBADFXFCN-FQEVSTJZSA-N 1 0 391.519 3.591 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2OCC#N)[NH+](C)C)cc1 ZINC000135260991 900211160 /nfs/dbraw/zinc/21/11/60/900211160.db2.gz IOUTYWMQCCUNBX-IBGZPJMESA-N 1 0 384.455 3.715 20 30 GHEDRO Cn1cc(C[NH2+]C[C@]2(C)OCCc3sccc32)c(-c2ccc(C#N)cc2)n1 ZINC000289926723 914428818 /nfs/dbraw/zinc/42/88/18/914428818.db2.gz VUMXCPARXXXBAF-NRFANRHFSA-N 1 0 378.501 3.598 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000573047742 900351550 /nfs/dbraw/zinc/35/15/50/900351550.db2.gz ZZXJGZJJWYXOPW-FQEVSTJZSA-N 1 0 377.492 3.825 20 30 GHEDRO O=C(C[NH+]1CCC2(CCCC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000573249709 900431458 /nfs/dbraw/zinc/43/14/58/900431458.db2.gz WQIJPBDVOZDTTN-UHFFFAOYSA-N 1 0 378.438 3.829 20 30 GHEDRO C#Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(Cl)c1 ZINC000885670095 900583884 /nfs/dbraw/zinc/58/38/84/900583884.db2.gz SFYBMHSYTGPLSI-QZTJIDSGSA-N 1 0 384.911 3.507 20 30 GHEDRO CC(C)[C@H](C#N)Oc1ccc(-c2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000844229954 900624766 /nfs/dbraw/zinc/62/47/66/900624766.db2.gz UCSVGXVTUZOBPB-DEOSSOPVSA-N 1 0 393.531 3.907 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000574121317 900782592 /nfs/dbraw/zinc/78/25/92/900782592.db2.gz CDRCQQXBWGBITG-NQIIRXRSSA-N 1 0 385.895 3.634 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1c1ccccc1 ZINC000844428332 900831540 /nfs/dbraw/zinc/83/15/40/900831540.db2.gz JYJLLFFNQIXQCF-RBUKOAKNSA-N 1 0 384.863 3.631 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCSCC#N)C1 ZINC000844459969 900888649 /nfs/dbraw/zinc/88/86/49/900888649.db2.gz MXPGZGYJTNWJQR-KZNAEPCWSA-N 1 0 397.585 3.560 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886218623 900892052 /nfs/dbraw/zinc/89/20/52/900892052.db2.gz ZIXXFZYFQMRISD-IPMKNSEASA-N 1 0 391.556 3.543 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC000844462368 900892637 /nfs/dbraw/zinc/89/26/37/900892637.db2.gz OJANXVRUUNFRAH-HKBOAZHASA-N 1 0 399.535 3.985 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC000844465072 900895781 /nfs/dbraw/zinc/89/57/81/900895781.db2.gz YIJLAZHTGAKVBG-QHAWAJNXSA-N 1 0 399.535 3.985 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000574829818 901023981 /nfs/dbraw/zinc/02/39/81/901023981.db2.gz XHTCLSUHHPDAPB-KKSFZXQISA-N 1 0 379.479 3.754 20 30 GHEDRO Cc1c(O)cccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001144117389 901085128 /nfs/dbraw/zinc/08/51/28/901085128.db2.gz XBCCMOCPYFEJKN-DEOSSOPVSA-N 1 0 391.515 3.691 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC(CC[NH3+])CC2)cc1OCC ZINC000575063714 901104952 /nfs/dbraw/zinc/10/49/52/901104952.db2.gz CDGSQUWSYRFQPD-UHFFFAOYSA-N 1 0 397.357 3.973 20 30 GHEDRO C#CCN(C(=O)c1cccc(-c2ccccc2OCC)c1)C1CC[NH+](C)CC1 ZINC000886579057 901176852 /nfs/dbraw/zinc/17/68/52/901176852.db2.gz WDCVBASWZLOIEH-UHFFFAOYSA-N 1 0 376.500 3.922 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)n2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000844713694 901193516 /nfs/dbraw/zinc/19/35/16/901193516.db2.gz DIVFJYDIVBPMFH-OWCLPIDISA-N 1 0 382.895 3.730 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001144191638 901226271 /nfs/dbraw/zinc/22/62/71/901226271.db2.gz UZRNXMDXRNWIBQ-UHFFFAOYSA-N 1 0 386.471 3.703 20 30 GHEDRO C=CCC1(O)CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000886772515 901265061 /nfs/dbraw/zinc/26/50/61/901265061.db2.gz ZRQXEWNEBFYWEM-UHFFFAOYSA-N 1 0 378.516 3.685 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(C)ccc1Br)C(C)C ZINC001144204293 901283354 /nfs/dbraw/zinc/28/33/54/901283354.db2.gz NNZSERCGNWNNMW-MRXNPFEDSA-N 1 0 380.330 3.581 20 30 GHEDRO CCC[N@H+]([C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000575868386 901404994 /nfs/dbraw/zinc/40/49/94/901404994.db2.gz OIIDAPIZSBCXQP-NCYKPQTJSA-N 1 0 381.520 3.579 20 30 GHEDRO CCC[N@H+]([C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000575868385 901405678 /nfs/dbraw/zinc/40/56/78/901405678.db2.gz OIIDAPIZSBCXQP-DOIPELPJSA-N 1 0 381.520 3.579 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000575883010 901425490 /nfs/dbraw/zinc/42/54/90/901425490.db2.gz FWQCGTDGDSYGJW-SCLBCKFNSA-N 1 0 399.292 3.562 20 30 GHEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cccc(C#N)c1 ZINC000290127745 914536862 /nfs/dbraw/zinc/53/68/62/914536862.db2.gz LJKBSNWABZUXSM-HRAATJIYSA-N 1 0 375.472 3.569 20 30 GHEDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092707500 901507626 /nfs/dbraw/zinc/50/76/26/901507626.db2.gz GYLNPJJLELGCHP-IBGZPJMESA-N 1 0 393.535 3.592 20 30 GHEDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000093415331 901546348 /nfs/dbraw/zinc/54/63/48/901546348.db2.gz FIBSUNBQKDBBNI-QFIPXVFZSA-N 1 0 390.487 3.638 20 30 GHEDRO CCc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001144321217 901729160 /nfs/dbraw/zinc/72/91/60/901729160.db2.gz CXTABWFLTPZQCW-DEOSSOPVSA-N 1 0 390.531 3.635 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000576217275 901825787 /nfs/dbraw/zinc/82/57/87/901825787.db2.gz HOKSWJAJJIPYJS-UHYCVJNDSA-N 1 0 376.460 3.706 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)N(c1cccc(C)c1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001144390166 901953071 /nfs/dbraw/zinc/95/30/71/901953071.db2.gz KAXQQPYZAAVXQB-VWNXMTODSA-N 1 0 376.500 3.648 20 30 GHEDRO C=CCOc1ccccc1-c1nc(-c2ccc(OCC[NH+](C)C)c(OC)c2)no1 ZINC000576429427 902015425 /nfs/dbraw/zinc/01/54/25/902015425.db2.gz ARXKJNGALBYQQZ-UHFFFAOYSA-N 1 0 395.459 3.917 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000576434607 902019758 /nfs/dbraw/zinc/01/97/58/902019758.db2.gz YALXIJMTGFGYSC-ICSRJNTNSA-N 1 0 392.551 3.634 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1Br ZINC000333344687 902023146 /nfs/dbraw/zinc/02/31/46/902023146.db2.gz QIAQUNZLNHTQPZ-WMLDXEAASA-N 1 0 391.313 3.707 20 30 GHEDRO C=C(Cc1ccccc1)C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001144396274 902028898 /nfs/dbraw/zinc/02/88/98/902028898.db2.gz ZQVFUPJIRQVWIS-QTJGBDASSA-N 1 0 389.543 3.939 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](CCc1c(Cl)nc(C)nc1Cl)CC2 ZINC001275532083 914588918 /nfs/dbraw/zinc/58/89/18/914588918.db2.gz GRGQJRYRMMDLIJ-UHFFFAOYSA-N 1 0 397.350 3.525 20 30 GHEDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]2CCO[C@H]21 ZINC000333388738 902056822 /nfs/dbraw/zinc/05/68/22/902056822.db2.gz GPWXUXDNIWWBSK-GDIGMMSISA-N 1 0 387.549 3.620 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCc2ccc(Br)cc2)CC1 ZINC001144413379 902081167 /nfs/dbraw/zinc/08/11/67/902081167.db2.gz JAUICKUOQHYKQU-UHFFFAOYSA-N 1 0 379.342 3.929 20 30 GHEDRO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c(C#N)c1C ZINC000333432193 902083965 /nfs/dbraw/zinc/08/39/65/902083965.db2.gz JVERZHXPHTUVHJ-PTKHLAPESA-N 1 0 389.565 3.827 20 30 GHEDRO C[C@]1(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@]1(F)Cl ZINC000845405975 902108696 /nfs/dbraw/zinc/10/86/96/902108696.db2.gz UIQUTMVZKPFYTC-VQTJNVASSA-N 1 0 392.906 3.527 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)c1ccc(Br)c(F)c1 ZINC001171185255 902176119 /nfs/dbraw/zinc/17/61/19/902176119.db2.gz PHBATNGQFVLRSA-LBPRGKRZSA-N 1 0 375.241 3.863 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001171190361 902252703 /nfs/dbraw/zinc/25/27/03/902252703.db2.gz SNYFTOOOEHUCDV-MONBJTKQSA-N 1 0 399.535 3.637 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)CC[NH2+][C@@H](C)Cc3cccc(C#N)c3)ccc12 ZINC001171194986 902282722 /nfs/dbraw/zinc/28/27/22/902282722.db2.gz ODNOYTFGYOHQNJ-INIZCTEOSA-N 1 0 389.455 3.523 20 30 GHEDRO Cn1nnc2cc(C[NH+]3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)ccc21 ZINC001144643714 902575058 /nfs/dbraw/zinc/57/50/58/902575058.db2.gz WBQLTGZJSYTMHP-UHFFFAOYSA-N 1 0 381.867 3.537 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000778989274 902577758 /nfs/dbraw/zinc/57/77/58/902577758.db2.gz PSXUJLMFQDHCNR-HIFRSBDPSA-N 1 0 395.450 3.895 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000846049647 902636420 /nfs/dbraw/zinc/63/64/20/902636420.db2.gz OULYSVSGGDORQK-QFBILLFUSA-N 1 0 397.523 3.721 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001171211460 902648148 /nfs/dbraw/zinc/64/81/48/902648148.db2.gz DMJPMSBGIUWUJG-IBGZPJMESA-N 1 0 388.515 3.513 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846115259 902693794 /nfs/dbraw/zinc/69/37/94/902693794.db2.gz SWVRYYHLJHWSDV-RTWAWAEBSA-N 1 0 398.551 3.558 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001171213066 902707436 /nfs/dbraw/zinc/70/74/36/902707436.db2.gz TYBQWNUKTJIDTH-XLIONFOSSA-N 1 0 395.478 3.726 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3ccccc3CC#N)C2)s1 ZINC000846101424 902716486 /nfs/dbraw/zinc/71/64/86/902716486.db2.gz JMXLYAFUBWKLOY-GOSISDBHSA-N 1 0 381.545 3.646 20 30 GHEDRO CN(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577370300 902718237 /nfs/dbraw/zinc/71/82/37/902718237.db2.gz CZDLIRPXEAPFKI-GGAORHGYSA-N 1 0 388.515 3.852 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@@H](C)Cc4cccc(C#N)c4)C3)C2=O)c1 ZINC001171217348 902756012 /nfs/dbraw/zinc/75/60/12/902756012.db2.gz OUMCWIKRAUGUHY-NBGIEHNGSA-N 1 0 387.527 3.922 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC001171218320 902776641 /nfs/dbraw/zinc/77/66/41/902776641.db2.gz UOBFLTFOXUZXHD-AUSIDOKSSA-N 1 0 387.527 3.970 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CC3(O)CCC(c4ccccc4)CC3)CC2)nc1 ZINC000600722122 902844785 /nfs/dbraw/zinc/84/47/85/902844785.db2.gz GGMYRXPDTMHCST-UHFFFAOYSA-N 1 0 390.531 3.601 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048090925 902854307 /nfs/dbraw/zinc/85/43/07/902854307.db2.gz FGGCJCPCIOTCDE-SFHVURJKSA-N 1 0 385.558 3.806 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000600736626 902859305 /nfs/dbraw/zinc/85/93/05/902859305.db2.gz SJNHXVNOMZMACX-SFHVURJKSA-N 1 0 382.335 3.602 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000577591461 902927562 /nfs/dbraw/zinc/92/75/62/902927562.db2.gz RNWWTILOINDFIL-UHFFFAOYSA-N 1 0 393.329 3.884 20 30 GHEDRO CCc1ccc(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC000779023527 903047388 /nfs/dbraw/zinc/04/73/88/903047388.db2.gz SYSISMZAMSKQKT-UHFFFAOYSA-N 1 0 385.515 3.843 20 30 GHEDRO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171233002 903048800 /nfs/dbraw/zinc/04/88/00/903048800.db2.gz YNSDJGYJRYDIAP-YKSBVNFPSA-N 1 0 377.532 3.712 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)CC1 ZINC000264510895 903157903 /nfs/dbraw/zinc/15/79/03/903157903.db2.gz TVTQVEOMIMIKPQ-UHFFFAOYSA-N 1 0 392.425 3.580 20 30 GHEDRO COc1ccc(C[NH+](C)C)cc1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000577816799 903230462 /nfs/dbraw/zinc/23/04/62/903230462.db2.gz BDIMHHFRFJBUCD-UHFFFAOYSA-N 1 0 390.491 3.541 20 30 GHEDRO C[NH+]1CCC(n2cc(NCc3cn(CCC#N)nc3-c3ccccc3)cn2)CC1 ZINC000601149835 903393022 /nfs/dbraw/zinc/39/30/22/903393022.db2.gz QIFMFLXPLIRRPC-UHFFFAOYSA-N 1 0 389.507 3.539 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000847017610 903401185 /nfs/dbraw/zinc/40/11/85/903401185.db2.gz RVGFSZOZTAKCSY-DVECYGJZSA-N 1 0 375.516 3.765 20 30 GHEDRO CC(C)[C@H](c1ccccc1)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264833639 903411227 /nfs/dbraw/zinc/41/12/27/903411227.db2.gz RRDBOUQWEIDRSR-WIYYLYMNSA-N 1 0 388.471 3.841 20 30 GHEDRO N#Cc1nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1C(F)(F)F ZINC001171274659 903472189 /nfs/dbraw/zinc/47/21/89/903472189.db2.gz MIWBTUNSEHBYEX-UHFFFAOYSA-N 1 0 385.393 3.942 20 30 GHEDRO CCCCCCCOc1cccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1 ZINC000264944764 903495701 /nfs/dbraw/zinc/49/57/01/903495701.db2.gz HUCMYCSCPRIGBZ-DQRAZIAOSA-N 1 0 385.508 3.652 20 30 GHEDRO C[C@@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)NC(=O)OC(C)(C)C ZINC000264955677 903505983 /nfs/dbraw/zinc/50/59/83/903505983.db2.gz MFZDFWOSUNRNRY-KRWDZBQOSA-N 1 0 397.523 3.857 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3cccc(C#N)c3F)cc[nH+]2)CC1 ZINC001212836805 903510051 /nfs/dbraw/zinc/51/00/51/903510051.db2.gz FUPJNPPINKBQRY-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO CN1Cc2c(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cccc2NC1=O ZINC001171278228 903554703 /nfs/dbraw/zinc/55/47/03/903554703.db2.gz ZSXUBLROOFZDFN-UHFFFAOYSA-N 1 0 375.476 3.634 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001146800234 903612590 /nfs/dbraw/zinc/61/25/90/903612590.db2.gz UPJOHUQJOATMQB-KRWDZBQOSA-N 1 0 377.488 3.960 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)c3cccc(SCC#N)c3)CC2)c1 ZINC001146832872 903619726 /nfs/dbraw/zinc/61/97/26/903619726.db2.gz HOGCOVULQHNRHH-UHFFFAOYSA-N 1 0 395.528 3.705 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779058916 903651739 /nfs/dbraw/zinc/65/17/39/903651739.db2.gz VYDPLUXHALQVOA-HKUYNNGSSA-N 1 0 395.478 3.870 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC[C@H]2CCOC2)c1 ZINC000136501099 903788136 /nfs/dbraw/zinc/78/81/36/903788136.db2.gz HRCODGYILNDTHF-OAHLLOKOSA-O 1 0 389.928 3.501 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000578647649 904026231 /nfs/dbraw/zinc/02/62/31/904026231.db2.gz ZTMVKYHLNNDXTK-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000578661381 904034038 /nfs/dbraw/zinc/03/40/38/904034038.db2.gz ITOGTPBXPYLQDJ-GOSISDBHSA-N 1 0 385.531 3.752 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)N2CCN(c3cc[nH+]cc3C)CC2)c(F)c1F ZINC001186722817 914780053 /nfs/dbraw/zinc/78/00/53/914780053.db2.gz ICKBYTZSSYMCQT-UHFFFAOYSA-N 1 0 393.384 3.637 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000151378118 904118452 /nfs/dbraw/zinc/11/84/52/904118452.db2.gz TXGKNUZIPAVGIV-GCJKJVERSA-N 1 0 391.519 3.951 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc([C@@H](C)C#N)c2)cc1 ZINC001148617619 904141137 /nfs/dbraw/zinc/14/11/37/904141137.db2.gz HEWRFZYKYWTSFE-KRWDZBQOSA-N 1 0 392.503 3.638 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000578902594 904213720 /nfs/dbraw/zinc/21/37/20/904213720.db2.gz DARZHMDYMXHTBK-VLCRHTCISA-N 1 0 391.515 3.524 20 30 GHEDRO Cc1cccc(C)c1NC(=O)[C@@H](C)O/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000153613866 904383584 /nfs/dbraw/zinc/38/35/84/904383584.db2.gz ONNTVXGKXJXHHL-MMTNMYCKSA-N 1 0 381.476 3.518 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1C#N ZINC000773076387 904413552 /nfs/dbraw/zinc/41/35/52/904413552.db2.gz NGBXVHQVUMUHKH-ZDUSSCGKSA-N 1 0 387.867 3.736 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)cc1C#N ZINC000773073633 904415024 /nfs/dbraw/zinc/41/50/24/904415024.db2.gz DOIOZXQRWJUGII-HNNXBMFYSA-N 1 0 385.895 3.747 20 30 GHEDRO CCCC(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c1 ZINC000104170576 904547653 /nfs/dbraw/zinc/54/76/53/904547653.db2.gz IWHUFCMKLQXEDA-UHFFFAOYSA-N 1 0 382.464 3.513 20 30 GHEDRO Cc1ccccc1C1([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC001171472298 904747307 /nfs/dbraw/zinc/74/73/07/904747307.db2.gz ZCONUDPBHTYFPW-UHFFFAOYSA-N 1 0 386.417 3.760 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171532422 904755937 /nfs/dbraw/zinc/75/59/37/904755937.db2.gz BXBRRMFGCUUARN-OAHLLOKOSA-N 1 0 394.437 3.682 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccsc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC001186857934 914866764 /nfs/dbraw/zinc/86/67/64/914866764.db2.gz IMXIKSUTMNAYGV-RDJZCZTQSA-N 1 0 391.562 3.664 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173790724 905126613 /nfs/dbraw/zinc/12/66/13/905126613.db2.gz ZABRXLBUMRPQJG-SFHVURJKSA-N 1 0 387.487 3.705 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000173792778 905126798 /nfs/dbraw/zinc/12/67/98/905126798.db2.gz RFDBNENMRDUAAQ-ROUUACIJSA-N 1 0 388.581 3.683 20 30 GHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)cc1OC ZINC000174110232 905204405 /nfs/dbraw/zinc/20/44/05/905204405.db2.gz MEJAQRFOORMKJD-MRXNPFEDSA-N 1 0 393.487 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172099002 905319441 /nfs/dbraw/zinc/31/94/41/905319441.db2.gz TZMUWXZJAUUUEZ-YVSFHVDLSA-N 1 0 378.538 3.581 20 30 GHEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C1C[C@@H]2COC[C@H](C1)N2C ZINC001172140392 905347982 /nfs/dbraw/zinc/34/79/82/905347982.db2.gz HOGWXQIVFMPPMV-CAADTVGGSA-N 1 0 375.516 3.983 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001172302348 905455389 /nfs/dbraw/zinc/45/53/89/905455389.db2.gz IFAWJGVQFYDSCK-PBHICJAKSA-N 1 0 379.451 3.724 20 30 GHEDRO COc1ccc(N2C[C@]3(CC[N@@H+]([C@H](C)Cc4ccc(C#N)cc4)C3)CC2=O)cc1 ZINC001172304235 905457460 /nfs/dbraw/zinc/45/74/60/905457460.db2.gz LKAKOTSXGPYORF-HOYKHHGWSA-N 1 0 389.499 3.627 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001172304469 905459490 /nfs/dbraw/zinc/45/94/90/905459490.db2.gz NFILZVORBDJZQI-FXAWDEMLSA-N 1 0 395.478 3.726 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@H]12 ZINC001172307493 905462998 /nfs/dbraw/zinc/46/29/98/905462998.db2.gz HKWCHRSUGSLCLU-LQGLAIQGSA-N 1 0 387.527 3.754 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001172309271 905467070 /nfs/dbraw/zinc/46/70/70/905467070.db2.gz SGGUGSUQBZKZHT-LJQANCHMSA-N 1 0 383.499 3.802 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172310188 905467485 /nfs/dbraw/zinc/46/74/85/905467485.db2.gz BOSDMPXSQFKJIR-MBSDFSHPSA-N 1 0 399.535 3.591 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001172309605 905467539 /nfs/dbraw/zinc/46/75/39/905467539.db2.gz UQPIAUCCKIYAHC-GAJHUEQPSA-N 1 0 377.463 3.757 20 30 GHEDRO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312975 905469419 /nfs/dbraw/zinc/46/94/19/905469419.db2.gz NBWPXTFPDAHRRM-HYBUGGRVSA-N 1 0 377.532 3.712 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172313436 905471509 /nfs/dbraw/zinc/47/15/09/905471509.db2.gz WUMUTZOCUWRJCP-KRWDZBQOSA-N 1 0 392.503 3.784 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)n1cc(Br)ccc1=NCCCC[NH3+] ZINC001172297657 905483966 /nfs/dbraw/zinc/48/39/66/905483966.db2.gz QPXJAHBKSVVFCN-OAHLLOKOSA-N 1 0 387.325 3.566 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)CC1 ZINC001172299441 905484000 /nfs/dbraw/zinc/48/40/00/905484000.db2.gz KUNQRINJBVQAHH-NPFVIJTESA-N 1 0 379.479 3.959 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCCn2cnc(COCC(=O)N(C)C)c2C1 ZINC001172354098 905524247 /nfs/dbraw/zinc/52/42/47/905524247.db2.gz FFPONNRYQYTPBK-LJQANCHMSA-N 1 0 392.588 3.833 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc1O2 ZINC001172497864 905600173 /nfs/dbraw/zinc/60/01/73/905600173.db2.gz GOZLUPHNHVXWEQ-MOPGFXCFSA-N 1 0 383.536 3.948 20 30 GHEDRO CCCCCCCC[C@@H](CC)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172505682 905601607 /nfs/dbraw/zinc/60/16/07/905601607.db2.gz RSUJZKVXCMNBSS-JOCHJYFZSA-N 1 0 389.632 3.975 20 30 GHEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001172509466 905603630 /nfs/dbraw/zinc/60/36/30/905603630.db2.gz XCOPRFGYCJBXKR-PMACEKPBSA-N 1 0 382.589 3.902 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000801584956 921165938 /nfs/dbraw/zinc/16/59/38/921165938.db2.gz OGPKZTWWIIEKDP-NXCFDTQHSA-N 1 0 397.522 3.849 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCOc2ccc(C#N)cc2)C(C)(C)C1 ZINC000801584769 921165427 /nfs/dbraw/zinc/16/54/27/921165427.db2.gz HJPQTQPBHIPGDK-IBGZPJMESA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)C(C)(C)C1 ZINC000801584737 921166719 /nfs/dbraw/zinc/16/67/19/921166719.db2.gz HATXNWHRONKPIH-QGZVFWFLSA-N 1 0 379.545 3.712 20 30 GHEDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH2+][C@@H](C)CC#N)Cc3ccccc32)cc1 ZINC001172695145 905743895 /nfs/dbraw/zinc/74/38/95/905743895.db2.gz AVFCWMPJJKQJNM-AZUAARDMSA-N 1 0 397.544 3.787 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN([C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172873196 905946593 /nfs/dbraw/zinc/94/65/93/905946593.db2.gz RLAWMPVWINATSJ-GOSISDBHSA-N 1 0 379.951 3.702 20 30 GHEDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172966925 906028526 /nfs/dbraw/zinc/02/85/26/906028526.db2.gz RDYBHLBHJDMGNI-ROUUACIJSA-N 1 0 382.508 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C#N ZINC001172970283 906031021 /nfs/dbraw/zinc/03/10/21/906031021.db2.gz FEAHGEYRPGCGKR-NJYVYQBISA-N 1 0 398.551 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2cc(CC[NH3+])c3cc(F)ccc32)C[C@H]1C#N ZINC001172971584 906033377 /nfs/dbraw/zinc/03/33/77/906033377.db2.gz QTCYCEWOLTZXFI-SJORKVTESA-N 1 0 386.471 3.746 20 30 GHEDRO CSc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172973223 906036780 /nfs/dbraw/zinc/03/67/80/906036780.db2.gz BESPTFDBECMDHR-HOTGVXAUSA-N 1 0 391.537 3.669 20 30 GHEDRO COc1ccccc1C1([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CCC1 ZINC001172974191 906038959 /nfs/dbraw/zinc/03/89/59/906038959.db2.gz LXFFORHSTVMNFE-SJORKVTESA-N 1 0 385.508 3.956 20 30 GHEDRO Cc1c(CC[NH3+])c2cc(O)ccc2n1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979041 906046014 /nfs/dbraw/zinc/04/60/14/906046014.db2.gz PJMOXIAEXISBCK-CVEARBPZSA-N 1 0 398.507 3.621 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C)(C)c2cc(Cl)ccn2)C[C@H]1C#N ZINC001172980671 906047113 /nfs/dbraw/zinc/04/71/13/906047113.db2.gz ZZJLZEQLLARYLJ-GJZGRUSLSA-N 1 0 378.904 3.851 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(OCc3ccccc3)CC2)C[C@H]1C#N ZINC001172986857 906051352 /nfs/dbraw/zinc/05/13/52/906051352.db2.gz ZDNQSIICEBQKCI-UXHICEINSA-N 1 0 399.535 3.959 20 30 GHEDRO N#Cc1cc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)ccc1F ZINC001173008292 906083390 /nfs/dbraw/zinc/08/33/90/906083390.db2.gz RZBJXQOGTKEAEG-UHFFFAOYSA-N 1 0 390.365 3.642 20 30 GHEDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991174 906101406 /nfs/dbraw/zinc/10/14/06/906101406.db2.gz VREOUZUYJWQWHI-UHOSZYNNSA-N 1 0 387.524 3.850 20 30 GHEDRO CCCCCCCC[C@@H](CCC)[N@@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001173309884 906362914 /nfs/dbraw/zinc/36/29/14/906362914.db2.gz MXYRUTZNTFPIJA-FGZHOGPDSA-N 1 0 382.589 3.855 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1 ZINC001173424155 906460020 /nfs/dbraw/zinc/46/00/20/906460020.db2.gz UAHABVOYYUZYIL-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO COc1ccc(CC2([NH2+]C3CCN(C(=O)c4ccc(C#N)cc4)CC3)CC2)cc1 ZINC001173428729 906464878 /nfs/dbraw/zinc/46/48/78/906464878.db2.gz UDDMHOBXGNTCGZ-UHFFFAOYSA-N 1 0 389.499 3.536 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173428680 906465173 /nfs/dbraw/zinc/46/51/73/906465173.db2.gz INGRYDSLKJZESC-FQEVSTJZSA-N 1 0 389.499 3.661 20 30 GHEDRO CCC[N@H+](CCc1ccccn1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173432498 906468354 /nfs/dbraw/zinc/46/83/54/906468354.db2.gz CIAOZFJOEJYHCX-UHFFFAOYSA-N 1 0 376.504 3.513 20 30 GHEDRO C=CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1)c1ccccc1 ZINC001173505572 906510065 /nfs/dbraw/zinc/51/00/65/906510065.db2.gz FPJKCXNXJWGXSZ-BDTNDASRSA-N 1 0 392.499 3.740 20 30 GHEDRO Cn1cc(C[NH2+]CCSCCOc2cccc(Br)c2)cc1C#N ZINC000191004908 906525989 /nfs/dbraw/zinc/52/59/89/906525989.db2.gz QDERGFJHLSWKNK-UHFFFAOYSA-N 1 0 394.338 3.561 20 30 GHEDRO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001173555836 906530471 /nfs/dbraw/zinc/53/04/71/906530471.db2.gz XAAFJAVRMAFOQP-AWEZNQCLSA-N 1 0 390.318 3.798 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)CCO2 ZINC001173586792 906545198 /nfs/dbraw/zinc/54/51/98/906545198.db2.gz GZDZGVCOHKQITG-YPTYLKSTSA-N 1 0 377.529 3.607 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(N2CC[C@H]([NH2+]C3CCC(C)(C#N)CC3)C2)CC1 ZINC001173591852 906546505 /nfs/dbraw/zinc/54/65/05/906546505.db2.gz UVKGKUSWNDBCFP-DKTYTTGXSA-N 1 0 390.572 3.522 20 30 GHEDRO CC(C)(C#N)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000179696731 906564081 /nfs/dbraw/zinc/56/40/81/906564081.db2.gz YHOPRBVVLRVFTL-UHFFFAOYSA-N 1 0 391.515 3.944 20 30 GHEDRO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCC[C@H](Oc3ccccc3C#N)C1)CC2 ZINC001173621983 906569043 /nfs/dbraw/zinc/56/90/43/906569043.db2.gz HLLDYOOFIPZJCV-GLCVTWPJSA-N 1 0 382.504 3.913 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1nc2ccccc2n1C(F)F ZINC000299199566 921247580 /nfs/dbraw/zinc/24/75/80/921247580.db2.gz FOCMEWFSDOWHKQ-ZDUSSCGKSA-N 1 0 383.402 3.982 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179770867 906591366 /nfs/dbraw/zinc/59/13/66/906591366.db2.gz AWIOTEVCMIBBSB-QGZVFWFLSA-N 1 0 390.487 3.633 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc(OC)c1O ZINC000179777513 906595358 /nfs/dbraw/zinc/59/53/58/906595358.db2.gz RCHWVVWNEUJNGP-SFHVURJKSA-N 1 0 378.476 3.552 20 30 GHEDRO C=CCN1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1=O ZINC001173701576 906651628 /nfs/dbraw/zinc/65/16/28/906651628.db2.gz BLKAYEICRDJTGY-ISKFKSNPSA-N 1 0 390.527 3.890 20 30 GHEDRO C[NH+](C)Cc1ccccc1Nc1ccc(I)cc1C#N ZINC001173930888 906755996 /nfs/dbraw/zinc/75/59/96/906755996.db2.gz RMXKYVXYLQLXCM-UHFFFAOYSA-N 1 0 377.229 3.968 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1Cn1cccn1 ZINC000180553686 906793302 /nfs/dbraw/zinc/79/33/02/906793302.db2.gz IWGMKZLABUOUDL-QGZVFWFLSA-N 1 0 376.460 3.693 20 30 GHEDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000180685355 906819152 /nfs/dbraw/zinc/81/91/52/906819152.db2.gz KUNABKGWSQGAQU-UHFFFAOYSA-N 1 0 393.491 3.614 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(OCC#N)cc1 ZINC000181576306 907029418 /nfs/dbraw/zinc/02/94/18/907029418.db2.gz BGJQKBWIWGEJFW-KRWDZBQOSA-N 1 0 394.471 3.717 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000181605113 907035892 /nfs/dbraw/zinc/03/58/92/907035892.db2.gz YGTRHJZTEWDXDM-KSZLIROESA-N 1 0 377.488 3.658 20 30 GHEDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181762973 907072625 /nfs/dbraw/zinc/07/26/25/907072625.db2.gz ZTYOLJDLJAQEMA-DEOSSOPVSA-N 1 0 393.531 3.633 20 30 GHEDRO CC(C)(C)C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1 ZINC000181963161 907107341 /nfs/dbraw/zinc/10/73/41/907107341.db2.gz IFVXVNOHTQZHHI-OZNQOIHVSA-N 1 0 375.900 3.933 20 30 GHEDRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000182026158 907117929 /nfs/dbraw/zinc/11/79/29/907117929.db2.gz XTXQGOCTKHRZEK-UGSOOPFHSA-N 1 0 375.266 3.736 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c(C#N)c1C ZINC000183596307 907418105 /nfs/dbraw/zinc/41/81/05/907418105.db2.gz DWIJICSQNYRRTD-AWEZNQCLSA-N 1 0 379.489 3.712 20 30 GHEDRO CC(C)OC(=O)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1 ZINC001175259728 907472560 /nfs/dbraw/zinc/47/25/60/907472560.db2.gz RNYRHURIANGLDU-UHFFFAOYSA-N 1 0 378.476 3.619 20 30 GHEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000184184283 907532907 /nfs/dbraw/zinc/53/29/07/907532907.db2.gz UOLUAQYZFHWMGD-UHFFFAOYSA-N 1 0 392.503 3.890 20 30 GHEDRO CCC1([NH+]2CCC2)CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC001176234814 907997572 /nfs/dbraw/zinc/99/75/72/907997572.db2.gz IOFDCWPEPPXJAW-FQEVSTJZSA-N 1 0 382.552 3.581 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001176710118 908240169 /nfs/dbraw/zinc/24/01/69/908240169.db2.gz OAHHRZKLBMPFJC-UHFFFAOYSA-N 1 0 399.535 3.777 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001176941120 908319068 /nfs/dbraw/zinc/31/90/68/908319068.db2.gz XXYXKYUSSDEHTO-SFHVURJKSA-N 1 0 377.492 3.585 20 30 GHEDRO N#Cc1ccc(NCC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)nc1 ZINC001177208881 908450834 /nfs/dbraw/zinc/45/08/34/908450834.db2.gz COIQIYHXDOAJCX-UHFFFAOYSA-N 1 0 383.499 3.718 20 30 GHEDRO CC1([NH+]2CCCCC2)CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001177212082 908455678 /nfs/dbraw/zinc/45/56/78/908455678.db2.gz RHJDGDBUIQJRAO-UHFFFAOYSA-N 1 0 378.438 3.924 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC001177600040 908661759 /nfs/dbraw/zinc/66/17/59/908661759.db2.gz WRGIRXGHLLHBFC-UHFFFAOYSA-N 1 0 386.540 3.941 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)OCCO2)C(=S)N[C@@H](C)CC ZINC000194974070 908947498 /nfs/dbraw/zinc/94/74/98/908947498.db2.gz CBWQJLITASDEFZ-HNNXBMFYSA-O 1 0 399.536 3.635 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc([S@](C)=O)cc1 ZINC000366295612 921467334 /nfs/dbraw/zinc/46/73/34/921467334.db2.gz MFBZVIKTFZCSJO-AQZOLHLPSA-N 1 0 385.508 3.754 20 30 GHEDRO CC1(C)Cc2cc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2O1 ZINC000780003862 909267131 /nfs/dbraw/zinc/26/71/31/909267131.db2.gz YEUQYUMHNAKTDT-HXUWFJFHSA-N 1 0 375.472 3.557 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)cc1Cl ZINC001179520323 909557637 /nfs/dbraw/zinc/55/76/37/909557637.db2.gz LCZGBMPEGHHKKH-NRFANRHFSA-N 1 0 375.896 3.997 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000245497881 909676986 /nfs/dbraw/zinc/67/69/86/909676986.db2.gz UXUJEJYOAGKNLJ-NNWRFLSQSA-N 1 0 382.552 3.577 20 30 GHEDRO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](NC(=O)C(=C)F)c1ccnc2ccc(OC)cc21 ZINC001180119837 909970357 /nfs/dbraw/zinc/97/03/57/909970357.db2.gz COWFLTDOMCKHTR-AERDPVEMSA-N 1 0 395.478 3.780 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000246038870 910056613 /nfs/dbraw/zinc/05/66/13/910056613.db2.gz RHLDWZFZXJFQQE-YGOYIFOWSA-N 1 0 393.531 3.747 20 30 GHEDRO COc1ccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC001180486924 910170373 /nfs/dbraw/zinc/17/03/73/910170373.db2.gz XPXZLYAGUROYTG-UHFFFAOYSA-N 1 0 391.515 3.611 20 30 GHEDRO C=C(C)[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)OCC ZINC000270013271 910407206 /nfs/dbraw/zinc/40/72/06/910407206.db2.gz BKWABUVPSRPGOT-SFHVURJKSA-N 1 0 399.457 3.767 20 30 GHEDRO N#Cc1cc(CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)ccc1F ZINC001181193468 910604306 /nfs/dbraw/zinc/60/43/06/910604306.db2.gz DETZKZNAFOBVBL-OXYJHPMESA-N 1 0 391.490 3.894 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001181201314 910610499 /nfs/dbraw/zinc/61/04/99/910610499.db2.gz MVBXFMIAZPMYNE-UHFFFAOYSA-N 1 0 381.520 3.583 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1CCC#N ZINC000271201814 910814853 /nfs/dbraw/zinc/81/48/53/910814853.db2.gz WVALCQVKXIJVPL-KRWDZBQOSA-N 1 0 394.523 3.659 20 30 GHEDRO CCc1ccccc1[C@@H](C[NH2+]Cc1cccc(C#N)n1)NC(=O)OC(C)(C)C ZINC001182184930 911230282 /nfs/dbraw/zinc/23/02/82/911230282.db2.gz WCYNEMPCGSENJU-HXUWFJFHSA-N 1 0 380.492 3.871 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC(OCc3ccccc3F)CC2)c(C#N)c1C ZINC000091863500 911307155 /nfs/dbraw/zinc/30/71/55/911307155.db2.gz KHMBNDHACHXUJX-OAHLLOKOSA-N 1 0 399.466 3.915 20 30 GHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)nc1 ZINC000092005223 911364507 /nfs/dbraw/zinc/36/45/07/911364507.db2.gz FCDWTSBKAWQVSE-FQEVSTJZSA-N 1 0 391.519 3.591 20 30 GHEDRO N#Cc1cccc(CCC(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC001182343589 911515974 /nfs/dbraw/zinc/51/59/74/911515974.db2.gz HOSNBUJKISUNBT-UHFFFAOYSA-N 1 0 375.516 3.562 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000283535962 911549125 /nfs/dbraw/zinc/54/91/25/911549125.db2.gz HFCCOGAFNVQGOF-UHFFFAOYSA-N 1 0 396.583 3.788 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NC2(C)CC2)cc1 ZINC000284388031 911848035 /nfs/dbraw/zinc/84/80/35/911848035.db2.gz MKSKEAGSXSVXTA-UHFFFAOYSA-O 1 0 394.973 3.836 20 30 GHEDRO C=CCOc1c(Br)cc(CNCC[NH+]2CCCCCC2)cc1OC ZINC000642196145 911853954 /nfs/dbraw/zinc/85/39/54/911853954.db2.gz ICMIPFSGWLIOIX-UHFFFAOYSA-N 1 0 397.357 3.988 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(CO)c2)c(C)c(C)c1C ZINC000284425218 911861581 /nfs/dbraw/zinc/86/15/81/911861581.db2.gz OJQJCBYFWODVBI-UHFFFAOYSA-O 1 0 397.564 3.781 20 30 GHEDRO C#CC(C)(C)C(=O)Nc1cc(C)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182634552 911911169 /nfs/dbraw/zinc/91/11/69/911911169.db2.gz XKGNLHWIZXGAPF-UHFFFAOYSA-N 1 0 378.520 3.702 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(N(C)C)cc2)c(C)s1 ZINC000284594198 911942307 /nfs/dbraw/zinc/94/23/07/911942307.db2.gz YEUXKSQRZFPSFQ-UHFFFAOYSA-O 1 0 388.582 3.799 20 30 GHEDRO Cc1cccc(N(C(=O)[C@H](C)c2ccc(C#N)cc2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001182792751 912025135 /nfs/dbraw/zinc/02/51/35/912025135.db2.gz UNTXRAYOAHQPAK-OUOWLKGYSA-N 1 0 389.499 3.524 20 30 GHEDRO Cc1cccc(CN2CCC[C@]23CCN(CCCC#N)C3=O)c1Br ZINC001275002469 912116154 /nfs/dbraw/zinc/11/61/54/912116154.db2.gz BXBBAJRZBMIMRF-LJQANCHMSA-N 1 0 390.325 3.628 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cccc(C)c3Br)C2)C1=O ZINC001275003281 912118013 /nfs/dbraw/zinc/11/80/13/912118013.db2.gz NPWIXQGLNGGEBZ-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO C[C@H]1[C@@H](CC(=O)Nc2nnccc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186934723 914882401 /nfs/dbraw/zinc/88/24/01/914882401.db2.gz JOXQSJAFGOIHSN-UWJYYQICSA-N 1 0 397.482 3.787 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)cc(OC)c1O ZINC000291127728 914994228 /nfs/dbraw/zinc/99/42/28/914994228.db2.gz VXVLEMNIZZZTQK-MRXNPFEDSA-N 1 0 395.503 3.900 20 30 GHEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)N2CCCC2)cc1 ZINC000303698241 915067278 /nfs/dbraw/zinc/06/72/78/915067278.db2.gz GCEOXJPLZWHARE-QFIPXVFZSA-N 1 0 378.520 3.748 20 30 GHEDRO COC(=O)c1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000303712326 915069972 /nfs/dbraw/zinc/06/99/72/915069972.db2.gz PXMSKLOLQUGNIV-NSHDSACASA-N 1 0 380.275 3.946 20 30 GHEDRO O=C(C[NH+]=C(Nc1ccccc1)N1CCCCC1)Nc1ccc(F)c(F)c1F ZINC000303773111 915120661 /nfs/dbraw/zinc/12/06/61/915120661.db2.gz FAQXSZMSPJYAIV-UHFFFAOYSA-N 1 0 390.409 3.996 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000303787217 915129056 /nfs/dbraw/zinc/12/90/56/915129056.db2.gz SHEXKTODLYYWRK-OAQYLSRUSA-N 1 0 384.499 3.749 20 30 GHEDRO [NH2+]=C(NCCOc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303866051 915224526 /nfs/dbraw/zinc/22/45/26/915224526.db2.gz CFAKTRPIBVPPDK-UHFFFAOYSA-N 1 0 395.381 3.672 20 30 GHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000303874821 915233894 /nfs/dbraw/zinc/23/38/94/915233894.db2.gz HJTRYZDZVBIANT-NRFANRHFSA-N 1 0 394.519 3.646 20 30 GHEDRO [NH2+]=C(NCCOc1cccc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000303874345 915233984 /nfs/dbraw/zinc/23/39/84/915233984.db2.gz HDLKNONXKOZZGL-UHFFFAOYSA-N 1 0 377.444 3.807 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796379692 915283631 /nfs/dbraw/zinc/28/36/31/915283631.db2.gz FIQPJGMEYQBBRO-UHFFFAOYSA-N 1 0 378.513 3.797 20 30 GHEDRO CCCOc1ccc(Oc2ncccc2CNC(=[NH2+])N2CCSCC2)cc1 ZINC000303882673 915294803 /nfs/dbraw/zinc/29/48/03/915294803.db2.gz LTPXKOXZQHXGOQ-UHFFFAOYSA-N 1 0 386.521 3.526 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCC(C)CC3)nc2)cc1Cl ZINC000303881046 915295236 /nfs/dbraw/zinc/29/52/36/915295236.db2.gz HHSQGGYSFSFQJS-UHFFFAOYSA-N 1 0 387.915 3.907 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000303969655 915343339 /nfs/dbraw/zinc/34/33/39/915343339.db2.gz BXDPRAYDDKUJBD-FQEVSTJZSA-N 1 0 386.927 3.703 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3cccs3)s1)C2 ZINC001275620136 915361134 /nfs/dbraw/zinc/36/11/34/915361134.db2.gz RARMQFSLNASSIN-FQEVSTJZSA-N 1 0 388.558 3.714 20 30 GHEDRO CN1[C@@H](C(=O)Nc2ccc3c(C#N)c[nH]c3c2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187631137 915399046 /nfs/dbraw/zinc/39/90/46/915399046.db2.gz HSRSIOLZYKCKCP-UNWVZKJWSA-N 1 0 386.455 3.822 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cc(C(F)(F)F)c[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001187709501 915468094 /nfs/dbraw/zinc/46/80/94/915468094.db2.gz OMQGVOGNVJGPDD-QAQDUYKDSA-N 1 0 390.409 3.817 20 30 GHEDRO [NH2+]=C(NCc1ccc(OCc2ccccn2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000304471964 915516587 /nfs/dbraw/zinc/51/65/87/915516587.db2.gz FFFJEFDKUCQIHY-OAQYLSRUSA-N 1 0 388.471 3.589 20 30 GHEDRO COc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1OC1CCCC1 ZINC000304506710 915526469 /nfs/dbraw/zinc/52/64/69/915526469.db2.gz RFNBJTWACGJMPQ-LJQANCHMSA-N 1 0 395.503 3.945 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCC1CC[NH+](Cc2cccnc2)CC1 ZINC001188030696 915723352 /nfs/dbraw/zinc/72/33/52/915723352.db2.gz SKNPRKUXYWRNEF-UHFFFAOYSA-N 1 0 381.586 3.574 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cn(-c3ccc(OC)cc3)nn2)cc1 ZINC000304931606 915792996 /nfs/dbraw/zinc/79/29/96/915792996.db2.gz DBAKZNZXTCVKGE-HNNXBMFYSA-N 1 0 378.480 3.716 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCc2ccccc2OC(F)(F)F)cc1OC ZINC000304987850 915817185 /nfs/dbraw/zinc/81/71/85/915817185.db2.gz BYIGNTJEQCQDQC-UHFFFAOYSA-N 1 0 383.370 3.572 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(CC#N)CC2)C1 ZINC000543777835 915873374 /nfs/dbraw/zinc/87/33/74/915873374.db2.gz ZYRGGJVDBFXIID-RTBURBONSA-N 1 0 382.552 4.000 20 30 GHEDRO C=CCN(CCC#N)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000292849819 915873569 /nfs/dbraw/zinc/87/35/69/915873569.db2.gz FZLHFHDZBBBLOS-UHFFFAOYSA-N 1 0 397.523 3.825 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1(CO)CCC1 ZINC000292960960 915922286 /nfs/dbraw/zinc/92/22/86/915922286.db2.gz FSAWBNSHPPNHMS-OXJNMPFZSA-N 1 0 389.565 3.796 20 30 GHEDRO C#Cc1ccc(C(=O)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)cc1 ZINC001188722342 916154647 /nfs/dbraw/zinc/15/46/47/916154647.db2.gz HFBVSMBQWHMNBO-UHFFFAOYSA-N 1 0 379.529 3.704 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3Br)C2)C1=O ZINC001275723106 916393552 /nfs/dbraw/zinc/39/35/52/916393552.db2.gz XKPFLNVKICYLTL-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccccc1N(C)C(=O)c1cccs1 ZINC000121361723 916403277 /nfs/dbraw/zinc/40/32/77/916403277.db2.gz VSXJUAROLJPXPZ-KRWDZBQOSA-N 1 0 398.528 3.915 20 30 GHEDRO [NH2+]=C(NCCCOCCOCc1ccccc1)Nc1cccc2c1CCCC2 ZINC000305821585 916456268 /nfs/dbraw/zinc/45/62/68/916456268.db2.gz BIXVCTYCRFKJPM-UHFFFAOYSA-N 1 0 381.520 3.916 20 30 GHEDRO N#C[C@]1(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC12CCCC2 ZINC000294348599 916755708 /nfs/dbraw/zinc/75/57/08/916755708.db2.gz AZVBTQJXYKUTDJ-QHCPKHFHSA-N 1 0 378.520 3.631 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCc1nn(C)c2ccccc12 ZINC000775318508 916903578 /nfs/dbraw/zinc/90/35/78/916903578.db2.gz JGPFZRAGIXYKAW-UHFFFAOYSA-N 1 0 398.304 3.680 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)cc1OC ZINC000294649130 916911522 /nfs/dbraw/zinc/91/15/22/916911522.db2.gz RCHIZAJKULMEBS-QHCPKHFHSA-N 1 0 399.535 3.506 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1OCCCC#N ZINC000295089997 917136322 /nfs/dbraw/zinc/13/63/22/917136322.db2.gz SYPHUOZVPYEBMO-TZIWHRDSSA-N 1 0 381.476 3.783 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000775401264 917464719 /nfs/dbraw/zinc/46/47/19/917464719.db2.gz XYLPZVLOQUXOHS-MRXNPFEDSA-N 1 0 375.241 3.881 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000295950889 917651478 /nfs/dbraw/zinc/65/14/78/917651478.db2.gz KAQUFWWJDUZOLP-OAQYLSRUSA-N 1 0 395.551 3.807 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001191321238 917931845 /nfs/dbraw/zinc/93/18/45/917931845.db2.gz YHCKEEJHESMZSE-IERDGZPVSA-N 1 0 376.431 3.508 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000363394110 918204720 /nfs/dbraw/zinc/20/47/20/918204720.db2.gz ZEULDMWNIADCRF-UHFFFAOYSA-N 1 0 383.536 3.640 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)C12CCC2 ZINC000296400117 918230502 /nfs/dbraw/zinc/23/05/02/918230502.db2.gz URCHNIFSGMZACD-AYOQOUSVSA-N 1 0 387.549 3.957 20 30 GHEDRO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]3CCCC[C@@H]32)nn1 ZINC000653577646 918325599 /nfs/dbraw/zinc/32/55/99/918325599.db2.gz XIWRCVVVRGTUHB-LPOYBJAFSA-N 1 0 387.572 3.538 20 30 GHEDRO C=CCCn1cc(CN[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)nn1 ZINC000653612553 918354815 /nfs/dbraw/zinc/35/48/15/918354815.db2.gz VYUOVFPPBCKWFT-HXUWFJFHSA-N 1 0 389.494 3.838 20 30 GHEDRO N#Cc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC001192077872 918375407 /nfs/dbraw/zinc/37/54/07/918375407.db2.gz WLLUZJWJVODMQP-UHFFFAOYSA-N 1 0 379.426 3.915 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000363564627 918426492 /nfs/dbraw/zinc/42/64/92/918426492.db2.gz VJIURDMNAAMVMT-XAUMDUMWSA-N 1 0 383.517 3.586 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000297408689 919300796 /nfs/dbraw/zinc/30/07/96/919300796.db2.gz NRZABAKNEMYYGJ-NRFANRHFSA-N 1 0 392.503 3.658 20 30 GHEDRO COc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000015246281 919368983 /nfs/dbraw/zinc/36/89/83/919368983.db2.gz KXVPLVUQFFPLGY-UHFFFAOYSA-O 1 0 393.488 3.526 20 30 GHEDRO C#CCn1ccc(C[N@H+](CCOC)C[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000800382373 920006636 /nfs/dbraw/zinc/00/66/36/920006636.db2.gz FUSLYHDUZNOHPE-INIZCTEOSA-N 1 0 379.426 3.787 20 30 GHEDRO N#CC1(CCCCn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)CCC1 ZINC000900612315 920455398 /nfs/dbraw/zinc/45/53/98/920455398.db2.gz LOYNVSSQWQNPIR-QGZVFWFLSA-N 1 0 388.313 3.953 20 30 GHEDRO N#CC1(CCCCn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)CCC1 ZINC000900612299 920455726 /nfs/dbraw/zinc/45/57/26/920455726.db2.gz LOYNVSSQWQNPIR-KRWDZBQOSA-N 1 0 388.313 3.953 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(CC#N)cc1)[NH+]1CCCC1 ZINC000298467027 920570628 /nfs/dbraw/zinc/57/06/28/920570628.db2.gz PACRQJGJAYCFRI-FQEVSTJZSA-N 1 0 378.476 3.720 20 30 GHEDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1=O ZINC001275980063 920689649 /nfs/dbraw/zinc/68/96/49/920689649.db2.gz OAGSEUCITCKTQQ-IFXJQAMLSA-N 1 0 390.325 3.544 20 30 GHEDRO N#CC(CC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)(c1ccccc1)c1ccccc1 ZINC000365638820 921039016 /nfs/dbraw/zinc/03/90/16/921039016.db2.gz WWBRNMRQRWPRBB-OFNKIYASSA-N 1 0 387.527 3.877 20 30 GHEDRO C=CCN1CC[C@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1=O ZINC000366960749 921841985 /nfs/dbraw/zinc/84/19/85/921841985.db2.gz HSEGDGQVGSJPAA-ZWKOTPCHSA-N 1 0 382.426 3.550 20 30 GHEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000802599502 922249884 /nfs/dbraw/zinc/24/98/84/922249884.db2.gz UUUFSTRJMYURNZ-GOSISDBHSA-N 1 0 390.535 3.908 20 30 GHEDRO C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000802601647 922250839 /nfs/dbraw/zinc/25/08/39/922250839.db2.gz BLWWKFAUIBBVGC-UHFFFAOYSA-N 1 0 399.539 3.505 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Cl)c1 ZINC000903160801 922819920 /nfs/dbraw/zinc/81/99/20/922819920.db2.gz OGKBJAFMGFWFNP-FQEVSTJZSA-N 1 0 393.936 3.903 20 30 GHEDRO CCc1cc(N2CCC(/[NH+]=C/c3ccc(N(CC)CC)cc3O)CC2)ncn1 ZINC000748285125 923550743 /nfs/dbraw/zinc/55/07/43/923550743.db2.gz ICLDUJUCYJPGNY-HZHRSRAPSA-N 1 0 381.524 3.679 20 30 GHEDRO COc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000369850606 923678212 /nfs/dbraw/zinc/67/82/12/923678212.db2.gz GYLUYFUXOLFOLW-NRFANRHFSA-N 1 0 377.488 3.645 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000369947831 923761534 /nfs/dbraw/zinc/76/15/34/923761534.db2.gz ZMTFNYXLFDZTFA-IRXDYDNUSA-N 1 0 375.538 3.768 20 30 GHEDRO CC1(COC(=O)COc2ccccc2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000749051411 923996248 /nfs/dbraw/zinc/99/62/48/923996248.db2.gz HUQIXGXFIDCCBW-UHFFFAOYSA-N 1 0 378.472 3.783 20 30 GHEDRO CN1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000409729233 924933131 /nfs/dbraw/zinc/93/31/31/924933131.db2.gz CKXJXHVQNHUNEA-WMLDXEAASA-N 1 0 382.336 3.529 20 30 GHEDRO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1F ZINC000371926912 924997347 /nfs/dbraw/zinc/99/73/47/924997347.db2.gz SNMLVJHHBOPTSJ-MRXNPFEDSA-N 1 0 382.483 3.538 20 30 GHEDRO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(SC(F)(F)F)cc1)CC2 ZINC001276065111 925099691 /nfs/dbraw/zinc/09/96/91/925099691.db2.gz BHDHUIRZYCNMED-INIZCTEOSA-N 1 0 382.451 3.650 20 30 GHEDRO Cc1ccc(Cl)c(C[NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)c1F ZINC001276078426 925248187 /nfs/dbraw/zinc/24/81/87/925248187.db2.gz MGXWXIHUPOYKBL-UHFFFAOYSA-N 1 0 377.891 3.906 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372213681 925251445 /nfs/dbraw/zinc/25/14/45/925251445.db2.gz XQGATSIKCISLGJ-WMZOPIPTSA-N 1 0 387.549 3.625 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccc(-c3ccncc3)c1)CC2 ZINC001137387406 925266645 /nfs/dbraw/zinc/26/66/45/925266645.db2.gz KMKSCCBXQBCJDB-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC[C@H]21 ZINC000827318458 925268334 /nfs/dbraw/zinc/26/83/34/925268334.db2.gz GYPMVTOQPWZMIH-OXJNMPFZSA-N 1 0 379.435 3.656 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3cccc(OC)c3)CC2)CC1 ZINC000680078406 925350877 /nfs/dbraw/zinc/35/08/77/925350877.db2.gz JUSNVMVHWJTMOT-UHFFFAOYSA-N 1 0 385.552 3.700 20 30 GHEDRO COc1cccc(OC)c1OC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410327415 925548878 /nfs/dbraw/zinc/54/88/78/925548878.db2.gz UFZADTBSXXKLRI-UHFFFAOYSA-N 1 0 388.508 3.648 20 30 GHEDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000373184488 925914786 /nfs/dbraw/zinc/91/47/86/925914786.db2.gz DXZISYNBDPHVRW-JOCHJYFZSA-N 1 0 377.488 3.645 20 30 GHEDRO N#Cc1ncc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1Cl ZINC000411036377 926004763 /nfs/dbraw/zinc/00/47/63/926004763.db2.gz XCWMRTLBSYWCJO-HNNXBMFYSA-N 1 0 390.821 3.703 20 30 GHEDRO C#CCC[N@@H+](CCOC)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000827823667 926057231 /nfs/dbraw/zinc/05/72/31/926057231.db2.gz SWNVATTUKGMUOX-UHFFFAOYSA-N 1 0 392.240 3.531 20 30 GHEDRO N#C[C@@H]1N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCC[C@@]12CCCCO2 ZINC000373374858 926062709 /nfs/dbraw/zinc/06/27/09/926062709.db2.gz CLIDCHBFJJSTBJ-GMAHTHKFSA-N 1 0 381.520 3.740 20 30 GHEDRO C=CCN(Cc1cccs1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000411130930 926106650 /nfs/dbraw/zinc/10/66/50/926106650.db2.gz DGGJWDFZYBSYDV-IBGZPJMESA-N 1 0 397.588 3.905 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H]3CN(C4CCCCC4)C(=O)O3)CC2)c1 ZINC000827877801 926151094 /nfs/dbraw/zinc/15/10/94/926151094.db2.gz YWUUNVPJKZMOJJ-OAQYLSRUSA-N 1 0 383.492 3.555 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](CCO)Cc3ccccc3)sc2C1 ZINC000411222735 926220097 /nfs/dbraw/zinc/22/00/97/926220097.db2.gz JDOJCCLBZJESHO-INIZCTEOSA-N 1 0 397.544 3.568 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)c(OC(F)(F)F)c3)C2)C1=O ZINC001276381904 926368352 /nfs/dbraw/zinc/36/83/52/926368352.db2.gz IWVIPYSBZOCASX-KRWDZBQOSA-N 1 0 388.817 3.849 20 30 GHEDRO CCC[N@H+](CC1CCCCC1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000725769157 926431246 /nfs/dbraw/zinc/43/12/46/926431246.db2.gz GSHQUUPNSUXBEW-JOCHJYFZSA-N 1 0 382.508 3.575 20 30 GHEDRO Cc1cnc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)s1 ZINC000411519392 926484313 /nfs/dbraw/zinc/48/43/13/926484313.db2.gz SAXNQCXYEZNNLC-QGZVFWFLSA-N 1 0 386.546 3.943 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(Cl)cc(O)cc3Cl)C2)C1=O ZINC001276167244 926490238 /nfs/dbraw/zinc/49/02/38/926490238.db2.gz STGKDSFXJCBAJA-IBGZPJMESA-N 1 0 397.302 3.616 20 30 GHEDRO Cc1cc(NC(=O)c2cc(C#N)oc2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000373864204 926505152 /nfs/dbraw/zinc/50/51/52/926505152.db2.gz VEZDAFLHNFOCNH-GOSISDBHSA-N 1 0 389.459 3.664 20 30 GHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411552830 926508492 /nfs/dbraw/zinc/50/84/92/926508492.db2.gz BVZKAIHZIJBDOK-KBRIMQKVSA-N 1 0 375.538 3.620 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)OCC(=O)Nc2sccc2C#N)cc1)C(C)C ZINC000726054164 926540017 /nfs/dbraw/zinc/54/00/17/926540017.db2.gz MFBFCFQXCVXQEQ-UHFFFAOYSA-N 1 0 385.489 3.646 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000726270918 926616537 /nfs/dbraw/zinc/61/65/37/926616537.db2.gz ISQLZPIIEQSPOY-FQEVSTJZSA-N 1 0 383.467 3.709 20 30 GHEDRO C#Cc1cccc(NC(=S)NCc2ccc(OCC[NH+](CC)CC)cc2)c1 ZINC000726465567 926684493 /nfs/dbraw/zinc/68/44/93/926684493.db2.gz MFFRQMXSVMLIRO-UHFFFAOYSA-N 1 0 381.545 3.875 20 30 GHEDRO CCC[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCOC1 ZINC000411724048 926692810 /nfs/dbraw/zinc/69/28/10/926692810.db2.gz XQJRGWVFANNSBB-VBKZILBWSA-N 1 0 375.538 3.622 20 30 GHEDRO CCC[N@@H+](Cc1ccc(C)cc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000726586690 926745942 /nfs/dbraw/zinc/74/59/42/926745942.db2.gz NOJYEURKNZMMDC-UHFFFAOYSA-N 1 0 390.487 3.501 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000411815319 926807580 /nfs/dbraw/zinc/80/75/80/926807580.db2.gz JGTBMBJHPHNWQG-QFIPXVFZSA-N 1 0 377.488 3.770 20 30 GHEDRO c1ccc(-c2noc(N=NCc3ccc(OCC[NH+]4CCCC4)cc3)n2)cc1 ZINC000726737583 926823760 /nfs/dbraw/zinc/82/37/60/926823760.db2.gz ALCHNCDGVNDMON-UHFFFAOYSA-N 1 0 377.448 3.657 20 30 GHEDRO C=C(C)[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)c(F)c1 ZINC000412263443 927271244 /nfs/dbraw/zinc/27/12/44/927271244.db2.gz YEYWMXNIRAMTHN-QFBILLFUSA-N 1 0 380.504 3.916 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000374648056 927377240 /nfs/dbraw/zinc/37/72/40/927377240.db2.gz VLSMDHUIDZKUEC-UHFFFAOYSA-N 1 0 389.499 3.623 20 30 GHEDRO CCN1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374841590 927589439 /nfs/dbraw/zinc/58/94/39/927589439.db2.gz DVKINJSQZWDELG-ICSRJNTNSA-N 1 0 395.469 3.929 20 30 GHEDRO N#CC1(c2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000374875587 927640113 /nfs/dbraw/zinc/64/01/13/927640113.db2.gz ANLJOTXACQSYKF-UHFFFAOYSA-N 1 0 384.483 3.530 20 30 GHEDRO CC(C)[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000375535003 928408595 /nfs/dbraw/zinc/40/85/95/928408595.db2.gz XVHWPPTWRWYPOA-NRFANRHFSA-N 1 0 391.475 3.756 20 30 GHEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)C1(CC)CC ZINC000751960023 928513663 /nfs/dbraw/zinc/51/36/63/928513663.db2.gz SAEUURFMUORRFA-UXHICEINSA-N 1 0 381.524 3.998 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000467094592 928693276 /nfs/dbraw/zinc/69/32/76/928693276.db2.gz RKHQQMNBNFQUAS-UHFFFAOYSA-N 1 0 388.515 3.661 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000752301312 928741171 /nfs/dbraw/zinc/74/11/71/928741171.db2.gz UPKNWHNAOYILFG-QGZVFWFLSA-N 1 0 389.500 3.615 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000544119382 928829302 /nfs/dbraw/zinc/82/93/02/928829302.db2.gz CWJPEKROBPZXMJ-JOCHJYFZSA-N 1 0 391.515 3.995 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C2CC2)cc1 ZINC000544289597 929022899 /nfs/dbraw/zinc/02/28/99/929022899.db2.gz SMUQBSIPZVGILT-QHCPKHFHSA-N 1 0 388.515 3.897 20 30 GHEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000467446447 929081084 /nfs/dbraw/zinc/08/10/84/929081084.db2.gz WMGCFMIPFYINOT-GOSISDBHSA-N 1 0 397.544 3.626 20 30 GHEDRO C=C[C@H](Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1)c1ccccc1 ZINC000544392656 929126047 /nfs/dbraw/zinc/12/60/47/929126047.db2.gz SYIAUUJGNFQHSL-GOSISDBHSA-N 1 0 389.503 3.786 20 30 GHEDRO CCc1nnc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c(C#N)c1CC ZINC000467795636 929431311 /nfs/dbraw/zinc/43/13/11/929431311.db2.gz NENCRXOHGXWQQI-UHFFFAOYSA-N 1 0 379.508 3.560 20 30 GHEDRO CON=Cc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000753717789 929497421 /nfs/dbraw/zinc/49/74/21/929497421.db2.gz URPFEDFHBZCIBH-GHTZIAJQSA-N 1 0 379.504 3.697 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@@H+]1C1CC1 ZINC000753918496 929591875 /nfs/dbraw/zinc/59/18/75/929591875.db2.gz NJMYUYPTKQUGTA-RHSMWYFYSA-N 1 0 380.517 3.711 20 30 GHEDRO COc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)ccc1OCc1ccc(F)cc1 ZINC000753934836 929601140 /nfs/dbraw/zinc/60/11/40/929601140.db2.gz KMGKNARYDZBSCE-OALUTQOASA-N 1 0 396.466 3.607 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000753968661 929615519 /nfs/dbraw/zinc/61/55/19/929615519.db2.gz OUDVTMUAFMKKOW-SVMVAKDDSA-N 1 0 393.487 3.635 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000757638547 929754291 /nfs/dbraw/zinc/75/42/91/929754291.db2.gz LZGMTXYEZMJKQJ-ZHRRBRCNSA-N 1 0 389.499 3.989 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469475872 929923886 /nfs/dbraw/zinc/92/38/86/929923886.db2.gz GGGWHXQXJZQEAS-LJQANCHMSA-N 1 0 378.520 3.749 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)cc1 ZINC000758496993 930061971 /nfs/dbraw/zinc/06/19/71/930061971.db2.gz WVWYSLJRIPBKMW-WIYYLYMNSA-N 1 0 381.545 3.685 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)cc1OC ZINC000546399439 930125613 /nfs/dbraw/zinc/12/56/13/930125613.db2.gz ILJCWWIBYXRTNT-UHFFFAOYSA-N 1 0 395.459 3.917 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000469989425 930298377 /nfs/dbraw/zinc/29/83/77/930298377.db2.gz FRHUMBZVSFWEIN-DZGCQCFKSA-N 1 0 383.330 3.582 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c(OC)c1 ZINC000469992236 930300278 /nfs/dbraw/zinc/30/02/78/930300278.db2.gz LSFIUBVRBGHFSP-CRAIPNDOSA-N 1 0 387.442 3.826 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000780579552 930552154 /nfs/dbraw/zinc/55/21/54/930552154.db2.gz DAYYROPOTYGRCN-DYVFJYSZSA-N 1 0 375.818 3.925 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000547418257 930997940 /nfs/dbraw/zinc/99/79/40/930997940.db2.gz PLHIXBJFQJQQJJ-HNAYVOBHSA-N 1 0 384.505 3.833 20 30 GHEDRO S=C(NN=Cc1sccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000782133446 931096555 /nfs/dbraw/zinc/09/65/55/931096555.db2.gz WPPZNIUDGIAWDH-UHFFFAOYSA-N 1 0 392.981 3.864 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782522691 931255539 /nfs/dbraw/zinc/25/55/39/931255539.db2.gz FJLWKVCJIFZLOA-MRXNPFEDSA-N 1 0 398.466 3.613 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc(-c4ccncc4)s3)C2)c(F)c1 ZINC000557795179 931692754 /nfs/dbraw/zinc/69/27/54/931692754.db2.gz GHVSAACEVYSWBI-KRWDZBQOSA-N 1 0 393.491 3.974 20 30 GHEDRO C[C@@H]1[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000925314557 931739773 /nfs/dbraw/zinc/73/97/73/931739773.db2.gz HCAKAWWIOLRCPT-IERDGZPVSA-N 1 0 378.476 3.546 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000784329878 931858349 /nfs/dbraw/zinc/85/83/49/931858349.db2.gz ZTQXJWXNRLYSLQ-OJFQLMPVSA-N 1 0 385.511 3.988 20 30 GHEDRO N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000784329876 931858479 /nfs/dbraw/zinc/85/84/79/931858479.db2.gz ZTQXJWXNRLYSLQ-GKKHDHLYSA-N 1 0 385.511 3.988 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1Cl ZINC000558466872 932018554 /nfs/dbraw/zinc/01/85/54/932018554.db2.gz SAJAELAKHGTBBQ-IBGZPJMESA-N 1 0 394.906 3.677 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)CC2 ZINC000558497285 932035085 /nfs/dbraw/zinc/03/50/85/932035085.db2.gz NTMPRVUCMKBOQD-FGZHOGPDSA-N 1 0 381.907 3.862 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000558515212 932048058 /nfs/dbraw/zinc/04/80/58/932048058.db2.gz TYRUXIAFKSJEGK-RCKXYERXSA-N 1 0 396.535 3.516 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796759554 932057296 /nfs/dbraw/zinc/05/72/96/932057296.db2.gz JTKQYUQZVSKDJX-QXAKKESOSA-N 1 0 390.524 3.659 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC000797007906 932142771 /nfs/dbraw/zinc/14/27/71/932142771.db2.gz QYQPLYDBNLDMOS-MJGOQNOKSA-N 1 0 390.524 3.756 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(C#N)cc1 ZINC000558741016 932205393 /nfs/dbraw/zinc/20/53/93/932205393.db2.gz GYXOMKRVUURRSH-INIZCTEOSA-N 1 0 385.471 3.911 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(CF)CCOCC1 ZINC000926528927 932218254 /nfs/dbraw/zinc/21/82/54/932218254.db2.gz SUJLXJBMNMSQJN-KRWDZBQOSA-N 1 0 397.535 3.662 20 30 GHEDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926539385 932221961 /nfs/dbraw/zinc/22/19/61/932221961.db2.gz JPQDAVZKMHBKKJ-RYRKJORJSA-N 1 0 379.545 3.709 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000926823613 932318323 /nfs/dbraw/zinc/31/83/23/932318323.db2.gz GSLZNRZNEAWXJV-YRXWBPOGSA-N 1 0 391.556 3.853 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC)CC1 ZINC000559008743 932369849 /nfs/dbraw/zinc/36/98/49/932369849.db2.gz KWWBJIJJYNXTAI-QGZVFWFLSA-N 1 0 387.503 3.665 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798483320 932667586 /nfs/dbraw/zinc/66/75/86/932667586.db2.gz BGRRVPGHFRWLHI-QHCPKHFHSA-N 1 0 381.520 3.932 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798487814 932669139 /nfs/dbraw/zinc/66/91/39/932669139.db2.gz YKLWJASXIMMCNN-QHCPKHFHSA-N 1 0 392.503 3.991 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000799121165 932881976 /nfs/dbraw/zinc/88/19/76/932881976.db2.gz QFLLEBPPAOGLTQ-ROUUACIJSA-N 1 0 379.545 3.855 20 30 GHEDRO CCn1cc([C@@H](O)C[N@H+](CCCC2(C#N)CCOCC2)Cc2ccccc2)cn1 ZINC000799168940 932896014 /nfs/dbraw/zinc/89/60/14/932896014.db2.gz SIXKYWKTSGUGRA-QFIPXVFZSA-N 1 0 396.535 3.539 20 30 GHEDRO C[NH+](C)CCCOc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000777688638 932972954 /nfs/dbraw/zinc/97/29/54/932972954.db2.gz USJZRCZKMQZCAO-UHFFFAOYSA-N 1 0 392.547 3.965 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000928656588 933053731 /nfs/dbraw/zinc/05/37/31/933053731.db2.gz ZUOOXSFSBYETTL-AWEZNQCLSA-N 1 0 387.936 3.583 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C)c(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000799717206 933098794 /nfs/dbraw/zinc/09/87/94/933098794.db2.gz LBAYYSKBQMTRPT-FCHUYYIVSA-N 1 0 375.472 3.583 20 30 GHEDRO CCCCCCCS(=O)(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000799762209 933109509 /nfs/dbraw/zinc/10/95/09/933109509.db2.gz QVYFBWGHNZREMF-UHFFFAOYSA-N 1 0 378.582 3.809 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1C#N ZINC000930473706 934061862 /nfs/dbraw/zinc/06/18/62/934061862.db2.gz ARYAYPXQTQZCBK-LJQANCHMSA-N 1 0 381.480 3.555 20 30 GHEDRO C=CC[C@@H]1CCN1C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000930530559 934084853 /nfs/dbraw/zinc/08/48/53/934084853.db2.gz UWHGYIAWXPNGQZ-MRXNPFEDSA-N 1 0 392.931 3.594 20 30 GHEDRO Cn1cc(-c2ccnc(C3CC[NH+](CCCCC4(C#N)CCC4)CC3)n2)cn1 ZINC000931088389 934372222 /nfs/dbraw/zinc/37/22/22/934372222.db2.gz DNBKMWTXEHJFBI-UHFFFAOYSA-N 1 0 378.524 3.921 20 30 GHEDRO COc1c(Br)cccc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000561982072 934605578 /nfs/dbraw/zinc/60/55/78/934605578.db2.gz JQTJNCUZEYHSTC-UHFFFAOYSA-N 1 0 389.293 3.978 20 30 GHEDRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000562071597 934674258 /nfs/dbraw/zinc/67/42/58/934674258.db2.gz HGOPBWWJFBSOOK-UHFFFAOYSA-N 1 0 375.394 3.611 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001121582952 934705746 /nfs/dbraw/zinc/70/57/46/934705746.db2.gz YWOISIYFBARPJH-IRXDYDNUSA-N 1 0 375.561 3.651 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001121595279 934711067 /nfs/dbraw/zinc/71/10/67/934711067.db2.gz OFIDWJUDONRSFY-IXDOHACOSA-N 1 0 377.483 3.635 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)CC#N ZINC001121663661 934731221 /nfs/dbraw/zinc/73/12/21/934731221.db2.gz WMRONWZCWOFHJZ-LJQANCHMSA-N 1 0 384.572 3.748 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC001121667329 934732805 /nfs/dbraw/zinc/73/28/05/934732805.db2.gz JDHHTDMNLRFGGE-IEBWSBKVSA-N 1 0 381.524 3.623 20 30 GHEDRO CCn1c(Cc2cccc(C#N)c2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001121755732 934756991 /nfs/dbraw/zinc/75/69/91/934756991.db2.gz CLUWHUJJHXJULD-UHFFFAOYSA-N 1 0 392.551 3.524 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)CCC#N)n2CCc2ccccc2)CC1 ZINC001122134303 934828778 /nfs/dbraw/zinc/82/87/78/934828778.db2.gz NXXRIXJFHACDRU-IBGZPJMESA-N 1 0 394.567 3.895 20 30 GHEDRO C[NH+]1CCC2(CCCN(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)C2)CC1 ZINC000932235115 934856721 /nfs/dbraw/zinc/85/67/21/934856721.db2.gz MYFWBOYYISHNOL-QGZVFWFLSA-N 1 0 394.441 3.679 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001122505737 934885488 /nfs/dbraw/zinc/88/54/88/934885488.db2.gz QGFYGZYXTCACJU-SFHVURJKSA-N 1 0 382.556 3.712 20 30 GHEDRO C=C(C)Cn1c(-c2cnoc2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001122528453 934890785 /nfs/dbraw/zinc/89/07/85/934890785.db2.gz UZGLXZPBDGWOET-LJQANCHMSA-N 1 0 398.555 3.766 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(CC(C)(C)C#N)n3CC3CC3)C2)CC1 ZINC001123500166 935211542 /nfs/dbraw/zinc/21/15/42/935211542.db2.gz AYDPNXHAPAXPKG-FQEVSTJZSA-N 1 0 398.599 3.729 20 30 GHEDRO COC(=O)c1ccc(CC2CC[NH+](Cc3ccc(OC)cc3C#N)CC2)cc1 ZINC001137706999 935736843 /nfs/dbraw/zinc/73/68/43/935736843.db2.gz ZKOSDJLLLZUDOB-UHFFFAOYSA-N 1 0 378.472 3.808 20 30 GHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000829649757 935839073 /nfs/dbraw/zinc/83/90/73/935839073.db2.gz GMWGSZJQJDIUKD-WMLDXEAASA-N 1 0 393.915 3.977 20 30 GHEDRO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137904327 935858024 /nfs/dbraw/zinc/85/80/24/935858024.db2.gz YVUHSDZSCYFKJM-HSZRJFAPSA-N 1 0 376.504 3.769 20 30 GHEDRO C=CCCN(OCc1ccccc1)C(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001154367292 1032067251 /nfs/dbraw/zinc/06/72/51/1032067251.db2.gz RNTSXDYUVSQCFY-DEOSSOPVSA-N 1 0 394.515 3.550 20 30 GHEDRO N#Cc1ccc(NC(=S)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(Br)c1 ZINC001201134974 1014988111 /nfs/dbraw/zinc/98/81/11/1014988111.db2.gz RKOKQVGOPNNZQW-CYBMUJFWSA-N 1 0 393.354 3.624 20 30 GHEDRO C=CCOc1cccc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000468108433 1015272637 /nfs/dbraw/zinc/27/26/37/1015272637.db2.gz KRKFBZVIMKOGEH-UHFFFAOYSA-N 1 0 379.504 3.711 20 30 GHEDRO CN(CCC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468231282 1015457681 /nfs/dbraw/zinc/45/76/81/1015457681.db2.gz WKNCZZZYMGLARO-LEWJYISDSA-N 1 0 381.907 3.928 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000545294219 1015746688 /nfs/dbraw/zinc/74/66/88/1015746688.db2.gz AWJMKBGOTNDCDB-IAGOWNOFSA-N 1 0 378.476 3.694 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(O)c3)CC2)C1=O ZINC001277155486 1032130730 /nfs/dbraw/zinc/13/07/30/1032130730.db2.gz ZZVQVNWZGVPGND-FQEVSTJZSA-N 1 0 375.900 3.554 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000469850973 1016637982 /nfs/dbraw/zinc/63/79/82/1016637982.db2.gz XKAPRFGNYMPXNN-DZGCQCFKSA-N 1 0 383.330 3.582 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)c(Br)cc1O ZINC001277191843 1032335151 /nfs/dbraw/zinc/33/51/51/1032335151.db2.gz PASBQWXTQFQAOM-IAGOWNOFSA-N 1 0 393.325 3.605 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@H](c1ccc(C)cc1)N1CCC([NH3+])CC1)c1ccccc1 ZINC001221361748 1032386524 /nfs/dbraw/zinc/38/65/24/1032386524.db2.gz XWDQBXZGSMSFDA-PKTZIBPZSA-N 1 0 377.532 3.893 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(NC[C@@]2(F)CCCC[NH2+]C2)cc1F ZINC001155116393 1032421347 /nfs/dbraw/zinc/42/13/47/1032421347.db2.gz IJNRFWWHUBIQPR-GOSISDBHSA-N 1 0 377.826 3.701 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1 ZINC001221675611 1032505367 /nfs/dbraw/zinc/50/53/67/1032505367.db2.gz DIMVZAIHCCUCKC-MSOLQXFVSA-N 1 0 388.531 3.636 20 30 GHEDRO CCCN(c1ncc2c(c1C#N)CCC[NH2+]C2)[C@H](C)C(=O)Nc1ccccc1C ZINC001155616320 1032601360 /nfs/dbraw/zinc/60/13/60/1032601360.db2.gz BAJWPQSZGNYBED-QGZVFWFLSA-N 1 0 391.519 3.541 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)c(OCC)c1)C2 ZINC001204186344 1032640606 /nfs/dbraw/zinc/64/06/06/1032640606.db2.gz ZKYVAEKDPNWKCE-FCHUYYIVSA-N 1 0 375.509 3.668 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cc(F)cc(F)c4)C3)C2)c1 ZINC001204231422 1032677868 /nfs/dbraw/zinc/67/78/68/1032677868.db2.gz SVXCAIRLCAUBKN-QHCPKHFHSA-N 1 0 397.469 3.955 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000925673685 1017134449 /nfs/dbraw/zinc/13/44/49/1017134449.db2.gz OFMLFIHTMGPXHT-ZJPYXAASSA-N 1 0 379.545 3.851 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cnn(C2CCCC2)c1 ZINC000558620943 1017242762 /nfs/dbraw/zinc/24/27/62/1017242762.db2.gz ZNZLRFFHQFWSCX-KKSFZXQISA-N 1 0 377.492 3.716 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000928659335 1017542615 /nfs/dbraw/zinc/54/26/15/1017542615.db2.gz LWZZJYMALRCSPM-UHFFFAOYSA-N 1 0 375.497 3.537 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000928659331 1017542917 /nfs/dbraw/zinc/54/29/17/1017542917.db2.gz LWCHYSSFYGRWHU-QZTJIDSGSA-N 1 0 379.529 3.560 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928827756 1017569975 /nfs/dbraw/zinc/56/99/75/1017569975.db2.gz NAPLFTQGZLFCPX-GOSISDBHSA-N 1 0 378.501 3.899 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1 ZINC001204299817 1032740966 /nfs/dbraw/zinc/74/09/66/1032740966.db2.gz FSKBLYWWYJWKQM-QFIPXVFZSA-N 1 0 380.488 3.849 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)cc1 ZINC001204301063 1032742402 /nfs/dbraw/zinc/74/24/02/1032742402.db2.gz MGUCYRTWENJASX-UHFFFAOYSA-N 1 0 382.504 3.711 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)cc1 ZINC001204301212 1032743181 /nfs/dbraw/zinc/74/31/81/1032743181.db2.gz RTZZNJZOWSXKBQ-DEOSSOPVSA-N 1 0 391.515 3.804 20 30 GHEDRO Cc1ccc(C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cn1 ZINC000562427430 1018159420 /nfs/dbraw/zinc/15/94/20/1018159420.db2.gz BEBUQPMVMDOUBQ-UHFFFAOYSA-N 1 0 386.503 3.942 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC000932678930 1018579294 /nfs/dbraw/zinc/57/92/94/1018579294.db2.gz SYTWQKLVNFJSMX-HNNXBMFYSA-N 1 0 391.537 3.516 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000562778968 1018631068 /nfs/dbraw/zinc/63/10/68/1018631068.db2.gz BOMCNCFHBJMGDF-AJTFCVKESA-N 1 0 391.450 3.885 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000562826918 1018686270 /nfs/dbraw/zinc/68/62/70/1018686270.db2.gz HUPHRKKYFIAOTP-JOCHJYFZSA-N 1 0 389.503 3.546 20 30 GHEDRO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000932918697 1018752796 /nfs/dbraw/zinc/75/27/96/1018752796.db2.gz KMXPRBYJZRLOPL-QAPCUYQASA-N 1 0 382.957 3.870 20 30 GHEDRO Cc1nn(C)c(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944351 1018773781 /nfs/dbraw/zinc/77/37/81/1018773781.db2.gz ULELJROBEFONRQ-PHIMTYICSA-N 1 0 391.306 3.640 20 30 GHEDRO N#CCSCCC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944507 1018774072 /nfs/dbraw/zinc/77/40/72/1018774072.db2.gz WHYBEWVAMXNWFE-DTORHVGOSA-N 1 0 382.320 3.736 20 30 GHEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)cc1 ZINC001204369507 1032810421 /nfs/dbraw/zinc/81/04/21/1032810421.db2.gz WNRIZDLKYFVKCX-VSKRKVRLSA-N 1 0 388.552 3.856 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C2(C1)CCOCC2 ZINC001204371193 1032813628 /nfs/dbraw/zinc/81/36/28/1032813628.db2.gz SVQZWMSHDFBESG-NRFANRHFSA-N 1 0 393.462 3.565 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cn(C(C)=O)c3ccccc13)CC2 ZINC001204407953 1032832517 /nfs/dbraw/zinc/83/25/17/1032832517.db2.gz SSHNEHSQMRDZPM-HSZRJFAPSA-N 1 0 379.504 3.835 20 30 GHEDRO C[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[N@@H+](C2CCC2)C1 ZINC000572193138 1019750949 /nfs/dbraw/zinc/75/09/49/1019750949.db2.gz LAYUPAJVFBCJQF-SFHVURJKSA-N 1 0 378.520 3.891 20 30 GHEDRO Cc1cc(C[NH3+])nn1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001156045003 1032854039 /nfs/dbraw/zinc/85/40/39/1032854039.db2.gz VJEYFBGAHFWWKW-UHFFFAOYSA-N 1 0 382.201 3.975 20 30 GHEDRO CN1CCO[C@H]([C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccc(Cl)cc2)C1 ZINC000577328051 1020169630 /nfs/dbraw/zinc/16/96/30/1020169630.db2.gz SDKAXPOQTUAMDU-FDFHNCONSA-N 1 0 381.907 3.860 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1-n1ccc2cc(N3CC[NH2+]CC3)ccc21 ZINC001156207141 1032923230 /nfs/dbraw/zinc/92/32/30/1032923230.db2.gz SHHHCQCURRPZRO-UHFFFAOYSA-N 1 0 388.862 3.508 20 30 GHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634341151 1020948002 /nfs/dbraw/zinc/94/80/02/1020948002.db2.gz MVOLPIZRLKTQTM-UHFFFAOYSA-N 1 0 395.551 3.540 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000194910717 1020968375 /nfs/dbraw/zinc/96/83/75/1020968375.db2.gz TZWBMTBWJTWBNA-KRWDZBQOSA-N 1 0 378.476 3.844 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000245559659 1021014916 /nfs/dbraw/zinc/01/49/16/1021014916.db2.gz LWNWOMMVQXULLW-NRFANRHFSA-N 1 0 390.531 3.678 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000834505406 1021230735 /nfs/dbraw/zinc/23/07/35/1021230735.db2.gz KNCGGLWLJMPPCP-VQIMIIECSA-N 1 0 391.496 3.708 20 30 GHEDRO CC(=O)c1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1C ZINC000654218797 1021269012 /nfs/dbraw/zinc/26/90/12/1021269012.db2.gz RZPIZBREQKJJEV-UHFFFAOYSA-N 1 0 390.487 3.855 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC000802660914 1021517776 /nfs/dbraw/zinc/51/77/76/1021517776.db2.gz ZJCSYAGCCQJANB-JOCHJYFZSA-N 1 0 385.508 3.790 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1cc(C#N)ccn1 ZINC000902764234 1021533506 /nfs/dbraw/zinc/53/35/06/1021533506.db2.gz AJVWMEQCSRYWKY-GOEBONIOSA-N 1 0 385.309 3.893 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3cnc(-c4cccc(F)c4)s3)CC2)nc1 ZINC001140419653 1021642150 /nfs/dbraw/zinc/64/21/50/1021642150.db2.gz JZJSKPQKALIPAY-UHFFFAOYSA-N 1 0 393.491 3.928 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)[C@@H]1CO ZINC001140437766 1021706936 /nfs/dbraw/zinc/70/69/36/1021706936.db2.gz PWOPNKSPTNSRBX-MGPUTAFESA-N 1 0 383.492 3.889 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)[C@H]1CO ZINC001140437768 1021707348 /nfs/dbraw/zinc/70/73/48/1021707348.db2.gz PWOPNKSPTNSRBX-QRWLVFNGSA-N 1 0 383.492 3.889 20 30 GHEDRO S=C(NN=C1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]12)Nc1ccccn1 ZINC000834964473 1021735849 /nfs/dbraw/zinc/73/58/49/1021735849.db2.gz CJUROIPJPNUMFK-PKOBYXMFSA-N 1 0 379.533 3.799 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-n3c(N)[nH+]c4ccccc43)c2)C1 ZINC001204644789 1033009332 /nfs/dbraw/zinc/00/93/32/1033009332.db2.gz PMZJPTYKIKUTJY-UHFFFAOYSA-N 1 0 389.459 3.814 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccnn1-c1ccccc1)CC2 ZINC001140524615 1021917706 /nfs/dbraw/zinc/91/77/06/1021917706.db2.gz PYYAHHFPVJANIU-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cc(C#N)ccc4Cl)CC[N@@H+]3C2)cc1 ZINC001140601234 1022048163 /nfs/dbraw/zinc/04/81/63/1022048163.db2.gz JQVVIFAGRQFXOB-PZJWPPBQSA-N 1 0 381.907 3.858 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@H]2C1 ZINC001140602119 1022048432 /nfs/dbraw/zinc/04/84/32/1022048432.db2.gz DZGUWXMWTDUFQK-RDJZCZTQSA-N 1 0 375.900 3.900 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]2C1 ZINC001140755309 1022440604 /nfs/dbraw/zinc/44/06/04/1022440604.db2.gz ZPSKOGKZGWLCSF-LSDHHAIUSA-N 1 0 377.435 3.525 20 30 GHEDRO Cc1cccc(N2C[C@]3(CCN(Cc4cc(F)c(C#N)c(F)c4)C3)CC2=O)c1 ZINC001140757715 1022448114 /nfs/dbraw/zinc/44/81/14/1022448114.db2.gz QEMZPNALFUUVTH-JOCHJYFZSA-N 1 0 381.426 3.774 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1O ZINC000754107476 1022487758 /nfs/dbraw/zinc/48/77/58/1022487758.db2.gz WXNYNQFJCHNKMN-RTBURBONSA-N 1 0 383.879 3.759 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3cc(Br)cc(C#N)c3)cc2)CC1 ZINC001204751249 1033066527 /nfs/dbraw/zinc/06/65/27/1033066527.db2.gz NVSBETSAZUXJSB-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754381123 1022654415 /nfs/dbraw/zinc/65/44/15/1022654415.db2.gz ASTVQPWLROXZAY-HUUCEWRRSA-N 1 0 389.546 3.794 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140882348 1022786290 /nfs/dbraw/zinc/78/62/90/1022786290.db2.gz WVVQMPXBFKLFHI-GFCCVEGCSA-N 1 0 378.341 3.860 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC(F)(F)F)c(F)c1)CC2 ZINC001140884764 1022793350 /nfs/dbraw/zinc/79/33/50/1022793350.db2.gz WTLDZYLQYCBNDH-UHFFFAOYSA-N 1 0 386.389 3.867 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000836283155 1022820778 /nfs/dbraw/zinc/82/07/78/1022820778.db2.gz XUIUWROCCKKZQF-HNNXBMFYSA-N 1 0 388.512 3.573 20 30 GHEDRO C=CCc1cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754736320 1022868308 /nfs/dbraw/zinc/86/83/08/1022868308.db2.gz JIXNOGBLOIGJQU-KRWDZBQOSA-N 1 0 376.497 3.571 20 30 GHEDRO C#Cc1cccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000836349992 1022905886 /nfs/dbraw/zinc/90/58/86/1022905886.db2.gz MSAUYZYAHVORQW-UHFFFAOYSA-N 1 0 379.529 3.581 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000754868895 1022941182 /nfs/dbraw/zinc/94/11/82/1022941182.db2.gz MEVNDMFWYVMOAZ-MRXNPFEDSA-N 1 0 392.565 3.847 20 30 GHEDRO C[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000836456172 1022987191 /nfs/dbraw/zinc/98/71/91/1022987191.db2.gz KIDQYMLOQVYSAJ-QGZVFWFLSA-N 1 0 396.466 3.714 20 30 GHEDRO CCOc1ccc(/C=N/[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c(O)c1 ZINC000755031710 1023032383 /nfs/dbraw/zinc/03/23/83/1023032383.db2.gz MLRGPWQGULHWOU-XNQWGTPPSA-N 1 0 384.476 3.502 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(Br)cc1 ZINC000836519897 1023068142 /nfs/dbraw/zinc/06/81/42/1023068142.db2.gz OOAUHEMXSSFKSY-YJBOKZPZSA-N 1 0 392.341 3.543 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(=NNCc1cccc3cccnc31)c1ccccc1O2 ZINC000755645041 1023323173 /nfs/dbraw/zinc/32/31/73/1023323173.db2.gz PVXOXUZBILROEC-UHFFFAOYSA-N 1 0 386.499 3.976 20 30 GHEDRO C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755882301 1023419070 /nfs/dbraw/zinc/41/90/70/1023419070.db2.gz SEWOXQDKPDXQMC-WIYYLYMNSA-N 1 0 378.472 3.585 20 30 GHEDRO C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141106943 1023515475 /nfs/dbraw/zinc/51/54/75/1023515475.db2.gz LGCGTFZXQAHWHU-RYUDHWBXSA-N 1 0 398.960 3.981 20 30 GHEDRO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141114435 1023531920 /nfs/dbraw/zinc/53/19/20/1023531920.db2.gz OKLNRFZSPQBQEX-GFCCVEGCSA-N 1 0 398.960 3.934 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000756553577 1023711669 /nfs/dbraw/zinc/71/16/69/1023711669.db2.gz USXSTRKSVNBVAB-HXUWFJFHSA-N 1 0 376.456 3.502 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000756868110 1023840932 /nfs/dbraw/zinc/84/09/32/1023840932.db2.gz UBOQUSVBOUZIRE-GOTSBHOMSA-N 1 0 391.515 3.896 20 30 GHEDRO C#CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000757065404 1023925853 /nfs/dbraw/zinc/92/58/53/1023925853.db2.gz RYZQPIYNLZLLDH-HSZRJFAPSA-N 1 0 386.499 3.540 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(-c4ncccn4)cc3)C2)C1 ZINC001141185376 1024038585 /nfs/dbraw/zinc/03/85/85/1024038585.db2.gz KRHKIOVUXQDSGC-HSZRJFAPSA-N 1 0 392.503 3.754 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3OC)C2)C1=O ZINC001141201282 1024116000 /nfs/dbraw/zinc/11/60/00/1024116000.db2.gz CXNNHGHAKYOQLM-IBGZPJMESA-N 1 0 382.426 3.715 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C ZINC000830952663 1024270793 /nfs/dbraw/zinc/27/07/93/1024270793.db2.gz BIYZHUQRBCZVBO-VSKRKVRLSA-N 1 0 383.536 3.566 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)cc1 ZINC001141293500 1024426560 /nfs/dbraw/zinc/42/65/60/1024426560.db2.gz CQQYMFSQMAGJQI-QHCPKHFHSA-N 1 0 377.488 3.647 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cc(C(=O)OC)ccc13)C2 ZINC001138263644 1024497934 /nfs/dbraw/zinc/49/79/34/1024497934.db2.gz YDBVZIGOQUCEOA-FYYLOGMGSA-N 1 0 398.503 3.528 20 30 GHEDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138333505 1024694084 /nfs/dbraw/zinc/69/40/84/1024694084.db2.gz FOSGJYZBWAGLNK-BJKOFHAPSA-N 1 0 380.491 3.867 20 30 GHEDRO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4ccc(C#Cc5ccccc5)cc4)C[C@H]3O2)n1 ZINC001138335410 1024696897 /nfs/dbraw/zinc/69/68/97/1024696897.db2.gz QBJGFUAVSVEGEN-KMDXXIMOSA-N 1 0 399.494 3.610 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCCN(C(=O)OC(C)(C)C)CCC2)cc1OC ZINC001138346279 1024706497 /nfs/dbraw/zinc/70/64/97/1024706497.db2.gz AFQZWQIJMPWDNN-UHFFFAOYSA-N 1 0 388.508 3.540 20 30 GHEDRO C#CCOc1ccc(CN(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001138347795 1024710022 /nfs/dbraw/zinc/71/00/22/1024710022.db2.gz FCEAMFXUAIACIG-QFIPXVFZSA-N 1 0 378.516 3.804 20 30 GHEDRO C#CCOc1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001138348774 1024712189 /nfs/dbraw/zinc/71/21/89/1024712189.db2.gz MXIWKZNOBOGXEI-JOCHJYFZSA-N 1 0 378.516 3.661 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1Cl ZINC001138471918 1024899441 /nfs/dbraw/zinc/89/94/41/1024899441.db2.gz KLBPKKJVGRKUKK-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138623368 1025121706 /nfs/dbraw/zinc/12/17/06/1025121706.db2.gz YBMXZZUMYPAIEE-RBBKRZOGSA-N 1 0 381.476 3.595 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c1O ZINC001138627472 1025127394 /nfs/dbraw/zinc/12/73/94/1025127394.db2.gz IYQZXJMDOYUGGR-DUXKGJEZSA-N 1 0 380.488 3.574 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1O ZINC001138627963 1025128760 /nfs/dbraw/zinc/12/87/60/1025128760.db2.gz QMVHHIKXAOPWDP-DNVJHFABSA-N 1 0 394.515 3.854 20 30 GHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030549 1025153891 /nfs/dbraw/zinc/15/38/91/1025153891.db2.gz NQGUXISAFJHGGK-FXAWDEMLSA-N 1 0 399.535 3.873 20 30 GHEDRO COc1cc(C#N)c(F)cc1Nc1ccc(C2([NH+]3CCN(C)CC3)CC2)cc1 ZINC001205120608 1033264572 /nfs/dbraw/zinc/26/45/72/1033264572.db2.gz PDNNETOKSYLNJD-UHFFFAOYSA-N 1 0 380.467 3.686 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3N3CCC(O)CC3)C2)cc1 ZINC001138763610 1025323500 /nfs/dbraw/zinc/32/35/00/1025323500.db2.gz AXFKNCQLFRLPSV-HSZRJFAPSA-N 1 0 391.515 3.563 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138878872 1025512471 /nfs/dbraw/zinc/51/24/71/1025512471.db2.gz TXWSRVBAGCTHPS-JOCHJYFZSA-N 1 0 398.482 3.826 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161986771 1025521822 /nfs/dbraw/zinc/52/18/22/1025521822.db2.gz DSWSLDLTPLKHQH-UHFFFAOYSA-N 1 0 395.869 3.834 20 30 GHEDRO COc1cccc(C2(Nc3nc(Cl)c(Cl)cc3C#N)CC[NH2+]CC2)c1 ZINC001161995632 1025528040 /nfs/dbraw/zinc/52/80/40/1025528040.db2.gz KXBKULHIJUCTPR-UHFFFAOYSA-N 1 0 377.275 3.959 20 30 GHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000839096408 1025594875 /nfs/dbraw/zinc/59/48/75/1025594875.db2.gz ULMWKGZKKNMQBD-AEFFLSMTSA-N 1 0 377.533 3.685 20 30 GHEDRO CC[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001141569895 1025599616 /nfs/dbraw/zinc/59/96/16/1025599616.db2.gz UOWPIZCDBHWSKB-JTHBVZDNSA-N 1 0 375.516 3.712 20 30 GHEDRO N#Cc1cnc(NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC001162430804 1025745143 /nfs/dbraw/zinc/74/51/43/1025745143.db2.gz KFAHOGLPRARUJX-QGZVFWFLSA-N 1 0 385.855 3.981 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001139028222 1025794029 /nfs/dbraw/zinc/79/40/29/1025794029.db2.gz QALODSCIFWFNFT-XMMPIXPASA-N 1 0 391.515 3.804 20 30 GHEDRO CSc1nc(NC[C@@]2(F)CCCC[NH2+]C2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001162573835 1025802241 /nfs/dbraw/zinc/80/22/41/1025802241.db2.gz UQFGDULCAYCEEM-HXUWFJFHSA-N 1 0 385.512 3.939 20 30 GHEDRO COc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001141610449 1025882885 /nfs/dbraw/zinc/88/28/85/1025882885.db2.gz BPFCYTYSSDHRDI-UHFFFAOYSA-N 1 0 390.409 3.693 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccc(Oc3ncccn3)cc1)CCC2 ZINC001139078493 1025887365 /nfs/dbraw/zinc/88/73/65/1025887365.db2.gz IWZKUDDOWYMUNX-UHFFFAOYSA-N 1 0 391.475 3.574 20 30 GHEDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc(Cl)cc1C#C[Si](C)(C)C ZINC001162729520 1025895530 /nfs/dbraw/zinc/89/55/30/1025895530.db2.gz GEUJHMIWCYFVMC-QGZVFWFLSA-N 1 0 396.007 3.507 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2Cc3ccccc3C[C@H]2C[NH3+])c1 ZINC001162745190 1025902527 /nfs/dbraw/zinc/90/25/27/1025902527.db2.gz YVWMKVNPZIVKKI-KRWDZBQOSA-N 1 0 391.862 3.684 20 30 GHEDRO N#Cc1cnc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001162900111 1025958472 /nfs/dbraw/zinc/95/84/72/1025958472.db2.gz MKRQHTGSRBBQGO-GBESFXJTSA-N 1 0 377.448 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000839594141 1026094674 /nfs/dbraw/zinc/09/46/74/1026094674.db2.gz LCDMDRUTIRJDCG-GOSISDBHSA-N 1 0 384.524 3.586 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163230238 1026097041 /nfs/dbraw/zinc/09/70/41/1026097041.db2.gz UGXPECSRUUVACQ-HNNXBMFYSA-N 1 0 385.290 3.609 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000839600509 1026097370 /nfs/dbraw/zinc/09/73/70/1026097370.db2.gz CROICVPIYZTJEP-RTWAWAEBSA-N 1 0 385.895 3.888 20 30 GHEDRO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163283593 1026124046 /nfs/dbraw/zinc/12/40/46/1026124046.db2.gz HXAWTTMMGYIISR-VXJOIVPMSA-N 1 0 386.311 3.832 20 30 GHEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)s3)CC2)c1 ZINC001139291886 1026142854 /nfs/dbraw/zinc/14/28/54/1026142854.db2.gz MGEHLNRALIMZRJ-UHFFFAOYSA-N 1 0 381.545 3.960 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1ncnc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC001163385644 1026172354 /nfs/dbraw/zinc/17/23/54/1026172354.db2.gz NVZDPBWPQUQERS-FQEVSTJZSA-N 1 0 395.894 3.886 20 30 GHEDRO COCC[N@H+](C)[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccc(Cl)cc1 ZINC001163386628 1026173319 /nfs/dbraw/zinc/17/33/19/1026173319.db2.gz YSZGPGFBVKFNHX-QGZVFWFLSA-N 1 0 379.291 3.991 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ncccc1C(=O)NC1CCCCC1 ZINC001163466947 1026205272 /nfs/dbraw/zinc/20/52/72/1026205272.db2.gz UVLHOLKPILLHAM-UHFFFAOYSA-N 1 0 379.508 3.633 20 30 GHEDRO COCc1cc(NC(C)=NCc2cccc(C[NH3+])c2)nc(-c2ccccc2)n1 ZINC001163466975 1026205298 /nfs/dbraw/zinc/20/52/98/1026205298.db2.gz VVVRYTYDLGHHGF-UHFFFAOYSA-N 1 0 375.476 3.779 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)cn2)C[C@H](C)O1 ZINC001139384066 1026252068 /nfs/dbraw/zinc/25/20/68/1026252068.db2.gz ZGNIPRNZDNWHGA-PMACEKPBSA-N 1 0 390.531 3.753 20 30 GHEDRO CCn1cc2c(n1)CN(Cc1ccc(-c3cc(C#N)ccn3)cc1)C[C@H]2COC ZINC001139402365 1026273088 /nfs/dbraw/zinc/27/30/88/1026273088.db2.gz PAQSIOAPEHOTMK-FQEVSTJZSA-N 1 0 387.487 3.582 20 30 GHEDRO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139403326 1026274364 /nfs/dbraw/zinc/27/43/64/1026274364.db2.gz ORIPRWCNQVCPMX-DEOSSOPVSA-N 1 0 388.515 3.987 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1=O ZINC001139404205 1026275575 /nfs/dbraw/zinc/27/55/75/1026275575.db2.gz WCZOZRUAFHSBPE-DEOSSOPVSA-N 1 0 386.499 3.621 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCC4(CC3)OC(=O)c3ncccc34)cc2)c1 ZINC001139405195 1026276775 /nfs/dbraw/zinc/27/67/75/1026276775.db2.gz JVXOSMAHCFCWEK-UHFFFAOYSA-N 1 0 396.450 3.677 20 30 GHEDRO CCOC(=O)c1ccc(NC(=N)c2ccc(C(F)(F)F)cc2)c2c1OCO2 ZINC001163685528 1026282730 /nfs/dbraw/zinc/28/27/30/1026282730.db2.gz OZTBTDDURUIUIZ-UHFFFAOYSA-N 1 0 380.322 3.648 20 30 GHEDRO CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)C1 ZINC001139428682 1026299577 /nfs/dbraw/zinc/29/95/77/1026299577.db2.gz MZBBMIBLKIXNBI-FQEVSTJZSA-N 1 0 378.476 3.577 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[C@H]([NH+]4CCCC4)[C@@H](F)C3)cn2)cc1 ZINC001139429553 1026300045 /nfs/dbraw/zinc/30/00/45/1026300045.db2.gz UYTSYIUIIINENF-SFTDATJTSA-N 1 0 380.467 3.754 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1=O ZINC001139528756 1026386319 /nfs/dbraw/zinc/38/63/19/1026386319.db2.gz VOOCHCZQPFJJHH-HXUWFJFHSA-N 1 0 377.463 3.535 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1F ZINC001139528854 1026387646 /nfs/dbraw/zinc/38/76/46/1026387646.db2.gz ZUCULSIDWMKMKH-NRFANRHFSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)c1 ZINC001139648166 1026509707 /nfs/dbraw/zinc/50/97/07/1026509707.db2.gz YLDQLLWSDCCLTG-OAQYLSRUSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001164438678 1026513670 /nfs/dbraw/zinc/51/36/70/1026513670.db2.gz AVDQSWYCVIGBKB-UHFFFAOYSA-N 1 0 376.838 3.648 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CCC[C@]4(CCC(=O)N4Cc4ccncc4)C3)c[nH]c21 ZINC001139701485 1026547297 /nfs/dbraw/zinc/54/72/97/1026547297.db2.gz NAYDYXPXWMWYTE-DEOSSOPVSA-N 1 0 399.498 3.592 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC(c4noc(C(F)(F)F)n4)CC3)c[nH]c21 ZINC001139703298 1026548488 /nfs/dbraw/zinc/54/84/88/1026548488.db2.gz MUILMSWYCZQNSG-UHFFFAOYSA-N 1 0 375.354 3.821 20 30 GHEDRO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001164587171 1026560490 /nfs/dbraw/zinc/56/04/90/1026560490.db2.gz KZAWXYLFTJFYOT-SFHVURJKSA-N 1 0 387.487 3.636 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N ZINC001139724300 1026567017 /nfs/dbraw/zinc/56/70/17/1026567017.db2.gz LTCJYTIGRBKQDP-HSZRJFAPSA-N 1 0 399.535 3.716 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)cc1C#N ZINC001139725148 1026568793 /nfs/dbraw/zinc/56/87/93/1026568793.db2.gz DZQXSAIQYSMZEA-YTFSRNRJSA-N 1 0 377.488 3.600 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165088659 1026598602 /nfs/dbraw/zinc/59/86/02/1026598602.db2.gz SBRILKAKFVKFOY-GGAORHGYSA-N 1 0 381.483 3.726 20 30 GHEDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2nc(Cl)c(Cl)c(C)c2C#N)CC1 ZINC001165108692 1026611001 /nfs/dbraw/zinc/61/10/01/1026611001.db2.gz PZLORBVUKOWYLD-CQSZACIVSA-N 1 0 383.323 3.648 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N2CCC3(CCCC[NH2+]3)CC2)c1C#N ZINC001165247782 1026679257 /nfs/dbraw/zinc/67/92/57/1026679257.db2.gz ZLOLFRCZBKKLSI-UHFFFAOYSA-N 1 0 379.533 3.850 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165264369 1026682592 /nfs/dbraw/zinc/68/25/92/1026682592.db2.gz CELRJCQQLGZXRE-INIZCTEOSA-N 1 0 395.816 3.666 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001139869474 1026682953 /nfs/dbraw/zinc/68/29/53/1026682953.db2.gz IRDPMCBKGPCVNR-LJQANCHMSA-N 1 0 378.516 3.987 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC2C[NH+](Cc3ccccc3)C2)n1 ZINC001165441791 1026727830 /nfs/dbraw/zinc/72/78/30/1026727830.db2.gz CAHOEORRBBIWHE-WDFUUOLCSA-N 1 0 398.576 3.815 20 30 GHEDRO Cc1cc(C#N)c(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1C ZINC001165475733 1026737415 /nfs/dbraw/zinc/73/74/15/1026737415.db2.gz KYYSTLIGQMBFAC-IRLDBZIGSA-N 1 0 380.467 3.758 20 30 GHEDRO CC(C)(C)N(c1cc(C#C[Si](C)(C)C)ccn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671761 1026792292 /nfs/dbraw/zinc/79/22/92/1026792292.db2.gz HGUUEYYQZQVXQY-IBGZPJMESA-N 1 0 385.628 3.827 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C1)C[NH2+]CCC2 ZINC001165725182 1026809262 /nfs/dbraw/zinc/80/92/62/1026809262.db2.gz SOUXWBIQXBDKDH-NTKDMRAZSA-N 1 0 388.515 3.532 20 30 GHEDRO Cc1cccc(N(c2ccc(C3(C#N)CCC3)cn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165775359 1026833432 /nfs/dbraw/zinc/83/34/32/1026833432.db2.gz ZXZPGQMIRRUWOA-QPPBQGQZSA-N 1 0 388.515 3.994 20 30 GHEDRO Cc1cccc(N(c2nc3c(cc2C#N)CCCC3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165777323 1026834353 /nfs/dbraw/zinc/83/43/53/1026834353.db2.gz ROQHDKOQBIFIEG-XUZZJYLKSA-N 1 0 388.515 3.800 20 30 GHEDRO N#Cc1cc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)nc2ccccc12 ZINC001165823739 1026846975 /nfs/dbraw/zinc/84/69/75/1026846975.db2.gz SDWKAKAGFUIQGY-UHFFFAOYSA-N 1 0 383.430 3.786 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001140072308 1026852024 /nfs/dbraw/zinc/85/20/24/1026852024.db2.gz QSACVFLRYXHNKN-LJQANCHMSA-N 1 0 398.551 3.869 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001165898704 1026864005 /nfs/dbraw/zinc/86/40/05/1026864005.db2.gz GRUYXYUJXHQLPK-URVUXULASA-N 1 0 392.551 3.651 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001140099405 1026876510 /nfs/dbraw/zinc/87/65/10/1026876510.db2.gz FGPHWUPDTHYIJB-MOPGFXCFSA-N 1 0 396.325 3.728 20 30 GHEDRO N#Cc1ccc2[nH]cc(CN3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001140114576 1026897268 /nfs/dbraw/zinc/89/72/68/1026897268.db2.gz XJHUNYHDGUJHQO-FPOVZHCZSA-N 1 0 390.462 3.516 20 30 GHEDRO CCC[NH+](CCC)CCCN1CCN(Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140116972 1026898826 /nfs/dbraw/zinc/89/88/26/1026898826.db2.gz JMYANUJHIKLVMF-UHFFFAOYSA-N 1 0 381.568 3.669 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c(F)c1 ZINC001140136909 1026910124 /nfs/dbraw/zinc/91/01/24/1026910124.db2.gz RYVGIDMLWYTXFU-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2nc(-c3cccs3)ccc2C#N)C1 ZINC001166876399 1027127790 /nfs/dbraw/zinc/12/77/90/1027127790.db2.gz NQWHDPDRWTZBAS-AWEZNQCLSA-N 1 0 395.557 3.870 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001203188947 1027226541 /nfs/dbraw/zinc/22/65/41/1027226541.db2.gz FMCMYLSSKLRGQM-UHFFFAOYSA-N 1 0 385.305 3.999 20 30 GHEDRO C=C(C)c1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC001210299279 1027434969 /nfs/dbraw/zinc/43/49/69/1027434969.db2.gz DSYLSJGZPCKKJI-IFMALSPDSA-N 1 0 379.504 3.724 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001141860806 1027478060 /nfs/dbraw/zinc/47/80/60/1027478060.db2.gz IOMBZPMJWZTLDX-IBGZPJMESA-N 1 0 393.535 3.637 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2F)c1 ZINC001203689428 1027535149 /nfs/dbraw/zinc/53/51/49/1027535149.db2.gz HHWLWYREERZONT-QFIPXVFZSA-N 1 0 390.458 3.970 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(Br)cc1)CC2 ZINC001203907337 1027699246 /nfs/dbraw/zinc/69/92/46/1027699246.db2.gz VKJOYVGUVNMROJ-UHFFFAOYSA-N 1 0 379.298 3.670 20 30 GHEDRO CSc1nc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C)c4)C3)C2)ccc1C#N ZINC001141937028 1027706240 /nfs/dbraw/zinc/70/62/40/1027706240.db2.gz KSFGZCUHBMBONT-JOCHJYFZSA-N 1 0 392.528 3.613 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001210950305 1027715822 /nfs/dbraw/zinc/71/58/22/1027715822.db2.gz AWZLXACQJPFQIW-DHIUTWEWSA-N 1 0 398.595 3.758 20 30 GHEDRO CC[N@H+](Cc1ccc(C#N)c(SC)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141943671 1027721041 /nfs/dbraw/zinc/72/10/41/1027721041.db2.gz FJBDGKNCQXEHTC-MRXNPFEDSA-N 1 0 376.526 3.506 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(Cc1ccc(N(C)C)cc1)CC2 ZINC001203931311 1027722634 /nfs/dbraw/zinc/72/26/34/1027722634.db2.gz DVXTXCCLDPDIOO-UHFFFAOYSA-N 1 0 380.536 3.620 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2c2ccccc2)C1=O ZINC001203932018 1027724171 /nfs/dbraw/zinc/72/41/71/1027724171.db2.gz ONRFBRSIMUATLC-NOZRDPDXSA-N 1 0 389.543 3.757 20 30 GHEDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972717 1027780626 /nfs/dbraw/zinc/78/06/26/1027780626.db2.gz QAZVGDZPQPXRQO-VQTJNVASSA-N 1 0 386.520 3.929 20 30 GHEDRO C[NH2+]Cc1cccc(Nc2cc(C)c(C#N)cc2I)c1 ZINC001211141714 1027807302 /nfs/dbraw/zinc/80/73/02/1027807302.db2.gz BATPKIXWPSLLIY-UHFFFAOYSA-N 1 0 377.229 3.934 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000301134643 1028210890 /nfs/dbraw/zinc/21/08/90/1028210890.db2.gz ACAYDZYLRQQIED-HXUWFJFHSA-N 1 0 399.332 3.825 20 30 GHEDRO O=C(C=NOCc1cccc(C[NH+]2CCCCC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000842017101 1029031157 /nfs/dbraw/zinc/03/11/57/1029031157.db2.gz SZCUKTWWFRPMTF-UHFFFAOYSA-N 1 0 396.447 3.722 20 30 GHEDRO Cc1[nH+]c2cc(NCc3ccc(N(C)CCC#N)cc3)ccc2n1[C@@H](C)CO ZINC000842218669 1029159182 /nfs/dbraw/zinc/15/91/82/1029159182.db2.gz XPTRYLJUYQJCQG-INIZCTEOSA-N 1 0 377.492 3.860 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c2)nc1 ZINC001215438379 1029208105 /nfs/dbraw/zinc/20/81/05/1029208105.db2.gz JLKAMVUDHAUUEJ-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001215644543 1029324204 /nfs/dbraw/zinc/32/42/04/1029324204.db2.gz ZBQZCTAEDJCOPY-JOCHJYFZSA-N 1 0 391.515 3.661 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1Cl ZINC001461560002 1069609399 /nfs/dbraw/zinc/60/93/99/1069609399.db2.gz OETOYYLGKICMGI-MRXNPFEDSA-N 1 0 396.915 3.630 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(C[C@@H](Oc5cccnc5)CO4)CC3)c[nH]c2c1 ZINC001142915942 1029688571 /nfs/dbraw/zinc/68/85/71/1029688571.db2.gz JZKZXNIPMROOKM-HXUWFJFHSA-N 1 0 388.471 3.637 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1c[nH]c3cc(C#N)ccc13)CC2 ZINC001142916489 1029688749 /nfs/dbraw/zinc/68/87/49/1029688749.db2.gz TWZNKUAEQLKFLH-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC3)NC(=O)C[C@H]4c3ccccc3)c[nH]c2c1 ZINC001142917072 1029690616 /nfs/dbraw/zinc/69/06/16/1029690616.db2.gz RDRGVWGTULFTQU-NRFANRHFSA-N 1 0 384.483 3.678 20 30 GHEDRO N#Cc1ccc2c(C[N@H+]3CCC[C@@H](c4noc(C(F)(F)F)n4)C3)c[nH]c2c1 ZINC001142921675 1029697021 /nfs/dbraw/zinc/69/70/21/1029697021.db2.gz SAVAFOKEBMTJNI-GFCCVEGCSA-N 1 0 375.354 3.821 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC001143025652 1029789377 /nfs/dbraw/zinc/78/93/77/1029789377.db2.gz JZXUDWKFCNZTBM-UHFFFAOYSA-N 1 0 379.342 3.929 20 30 GHEDRO C[C@H]1CN(Cc2cc(F)cc(OC(F)(F)F)c2)CC[C@]1(O)C(F)(F)F ZINC001143256685 1029951835 /nfs/dbraw/zinc/95/18/35/1029951835.db2.gz RBATZQNSYFEVFS-TVQRCGJNSA-N 1 0 375.284 3.860 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000843482007 1030034864 /nfs/dbraw/zinc/03/48/64/1030034864.db2.gz YXOWFKSFDDGGAT-HTOYRWLBSA-N 1 0 384.520 3.511 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@@H]2CSc3ccccc3O2)c1 ZINC001461610023 1069640066 /nfs/dbraw/zinc/64/00/66/1069640066.db2.gz RJTBBUSUOVEJSC-CQSZACIVSA-N 1 0 375.291 3.964 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(-c2cc3c(s2)CC[NH2+]C3)n1 ZINC001217293541 1030285970 /nfs/dbraw/zinc/28/59/70/1030285970.db2.gz DXTGODHMRXAMLJ-UHFFFAOYSA-N 1 0 387.262 3.745 20 30 GHEDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)c1 ZINC001149848085 1030323935 /nfs/dbraw/zinc/32/39/35/1030323935.db2.gz PMHFEBQWGVJQNW-NRFANRHFSA-N 1 0 379.479 3.674 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC001223516880 1030615508 /nfs/dbraw/zinc/61/55/08/1030615508.db2.gz JXMIDMMOPLDQRO-UHFFFAOYSA-N 1 0 387.886 3.900 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC001223538048 1030626351 /nfs/dbraw/zinc/62/63/51/1030626351.db2.gz NNTSWQBIZBADBP-VXKWHMMOSA-N 1 0 377.488 3.506 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217951188 1030683936 /nfs/dbraw/zinc/68/39/36/1030683936.db2.gz TZWRTLCKTBHNBR-PMACEKPBSA-N 1 0 397.446 3.868 20 30 GHEDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)cc2)C1 ZINC001217955976 1030687024 /nfs/dbraw/zinc/68/70/24/1030687024.db2.gz OLIUBCODQVMWSV-LWUDTGQSSA-N 1 0 391.467 3.776 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2C[NH2+]CCC[C@H]2F)c(Br)c1 ZINC001217973252 1030698751 /nfs/dbraw/zinc/69/87/51/1030698751.db2.gz BCFCIEJZRIZZPX-VXGBXAGGSA-N 1 0 392.066 3.552 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217979553 1030703487 /nfs/dbraw/zinc/70/34/87/1030703487.db2.gz GNVUJGWBNIAYCU-XOODBQLUSA-N 1 0 397.494 3.789 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217984315 1030705827 /nfs/dbraw/zinc/70/58/27/1030705827.db2.gz MPLYRZZDDMDXDD-CTNGQTDRSA-N 1 0 397.446 3.868 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217984318 1030705850 /nfs/dbraw/zinc/70/58/50/1030705850.db2.gz MPLYRZZDDMDXDD-TZIWHRDSSA-N 1 0 397.446 3.868 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@H](C)C2CC[NH2+]CC2)c1 ZINC001218003969 1030716558 /nfs/dbraw/zinc/71/65/58/1030716558.db2.gz AJXQMYIJIDZDBL-NKPGBKMFSA-N 1 0 397.471 3.769 20 30 GHEDRO C[C@H](Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O)C1CC[NH2+]CC1 ZINC001218006344 1030718552 /nfs/dbraw/zinc/71/85/52/1030718552.db2.gz QPUJIALNYQNLRZ-FBJMNJBLSA-N 1 0 395.455 3.523 20 30 GHEDRO C=CCc1c(O[C@H]2CC[NH2+]CC[C@@H]2C)c2cccnc2n(-c2ccccc2)c1=O ZINC001218034877 1030735725 /nfs/dbraw/zinc/73/57/25/1030735725.db2.gz SKBVQYIRAXIFQZ-UWJYYQICSA-N 1 0 389.499 3.881 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1OC[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218084854 1030763282 /nfs/dbraw/zinc/76/32/82/1030763282.db2.gz WSQBQLQZRANTMU-HGHGUNKESA-N 1 0 384.520 3.654 20 30 GHEDRO O/N=C(\O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC001223885568 1030789412 /nfs/dbraw/zinc/78/94/12/1030789412.db2.gz SZWQFUWYPWTABY-ZJYNUGOYSA-N 1 0 375.266 3.876 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001218138690 1030792471 /nfs/dbraw/zinc/79/24/71/1030792471.db2.gz PTCQPSYUGHNORG-OFNKIYASSA-N 1 0 384.520 3.941 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c1 ZINC001218142773 1030794382 /nfs/dbraw/zinc/79/43/82/1030794382.db2.gz HXNIPUVTSDVUNX-HLIPFELVSA-N 1 0 377.440 3.528 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1 ZINC001218200800 1030824039 /nfs/dbraw/zinc/82/40/39/1030824039.db2.gz IYPGROXGMJJSTQ-XXBNENTESA-N 1 0 386.451 3.768 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(/C=C\C(=O)CCCCc2ccc(O)cc2)cc1 ZINC001218201036 1030824726 /nfs/dbraw/zinc/82/47/26/1030824726.db2.gz JSSFAPJHBWGHLW-PPKJCAPRSA-N 1 0 390.483 3.878 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 ZINC001218204181 1030826821 /nfs/dbraw/zinc/82/68/21/1030826821.db2.gz VNKFPZSPJOOREP-PIGZYNQJSA-N 1 0 376.243 3.736 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc2c3c(c1OC)COc1cc(OC)cc(c1-3)CC2 ZINC001218211071 1030832475 /nfs/dbraw/zinc/83/24/75/1030832475.db2.gz PUZLBAQDBSKMJX-HXUWFJFHSA-N 1 0 379.456 3.659 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(OC)cc(CCc2ccc(O)c(OC)c2)cc1OC ZINC001218210878 1030832723 /nfs/dbraw/zinc/83/27/23/1030832723.db2.gz LPTCETQUPRZXFK-JOCHJYFZSA-N 1 0 399.487 3.500 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[NH2+]CC3(C)C)c(C#N)c2)nc1C ZINC001218313844 1030887637 /nfs/dbraw/zinc/88/76/37/1030887637.db2.gz DVWYTTIKOAQHAO-KRWDZBQOSA-N 1 0 399.516 3.934 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC001218313947 1030888287 /nfs/dbraw/zinc/88/82/87/1030888287.db2.gz FFZDWFUPMRNQOB-YKNILIKBSA-N 1 0 397.471 3.769 20 30 GHEDRO CCCCCCCCOC(=O)c1cc(O)c(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c(O)c1 ZINC001218326747 1030893726 /nfs/dbraw/zinc/89/37/26/1030893726.db2.gz PSCINJCETBLZCQ-GPMSIDNRSA-N 1 0 377.481 3.602 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001224170835 1030910836 /nfs/dbraw/zinc/91/08/36/1030910836.db2.gz RBZIWOKLZYIXET-HTAPYJJXSA-N 1 0 378.472 3.772 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[C@@H](C)[NH2+]C3)c(C#N)c2)nc1C ZINC001218399614 1030919686 /nfs/dbraw/zinc/91/96/86/1030919686.db2.gz BJUJADBVDMLBFI-WBMJQRKESA-N 1 0 385.489 3.686 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001218404534 1030923285 /nfs/dbraw/zinc/92/32/85/1030923285.db2.gz JKWXSWWKVZCOQV-ASFUWYJLSA-N 1 0 383.444 3.522 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3C[NH2+]CCC34CC4)c3ccccc23)ccc1F ZINC001218407203 1030925458 /nfs/dbraw/zinc/92/54/58/1030925458.db2.gz VAGNIPOGUVNLDB-NRFANRHFSA-N 1 0 388.446 3.752 20 30 GHEDRO C=CC[C@@H](Oc1cc(C[C@H](N)C(=O)OC)ccc1O)c1ccc(Cl)cc1 ZINC001218443524 1030939061 /nfs/dbraw/zinc/93/90/61/1030939061.db2.gz STSZGBMBUUDLPH-FUHWJXTLSA-N 1 0 375.852 3.785 20 30 GHEDRO C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1cnc(C#N)cn1 ZINC001218504576 1030965032 /nfs/dbraw/zinc/96/50/32/1030965032.db2.gz PPFVENJLQSIZFC-JXFKEZNVSA-N 1 0 385.471 3.550 20 30 GHEDRO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001218541705 1030979728 /nfs/dbraw/zinc/97/97/28/1030979728.db2.gz NOYNYYMDBYAGOA-PIGZYNQJSA-N 1 0 375.469 3.895 20 30 GHEDRO COc1ccc(CSC[C@H]([NH3+])C(=O)Nc2sc3ccccc3c2C#N)cc1 ZINC001218649145 1031019958 /nfs/dbraw/zinc/01/99/58/1031019958.db2.gz SQDXNCYIZUVRTG-KRWDZBQOSA-N 1 0 397.525 3.981 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC001461736153 1069713057 /nfs/dbraw/zinc/71/30/57/1069713057.db2.gz PQWKKKCIKUPSLD-UFYCRDLUSA-N 1 0 384.520 3.966 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](CCO[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001224819062 1031135319 /nfs/dbraw/zinc/13/53/19/1031135319.db2.gz GGTPEJJXTNIVRP-GHTZIAJQSA-N 1 0 399.535 3.796 20 30 GHEDRO N#Cc1c(F)ccc(NC(=O)C[C@H]([NH3+])Cc2cccc(C(F)(F)F)c2)c1F ZINC001218913414 1031150019 /nfs/dbraw/zinc/15/00/19/1031150019.db2.gz LWRHUSGBFWLCQQ-GFCCVEGCSA-N 1 0 383.320 3.754 20 30 GHEDRO Cc1cccc2c1C1(C[C@@H]2CC(=O)Nc2ccc(O)c(C#N)c2)CC[NH2+]CC1 ZINC001218955123 1031173608 /nfs/dbraw/zinc/17/36/08/1031173608.db2.gz XTHSAJULBXXWRJ-INIZCTEOSA-N 1 0 375.472 3.710 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)cc1OC(F)F ZINC001218999906 1031204976 /nfs/dbraw/zinc/20/49/76/1031204976.db2.gz MZLRDHGAFRFXCC-KDOFPFPSSA-N 1 0 385.414 3.627 20 30 GHEDRO CCc1cc(NC(=O)[C@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)cc(CC)c1C#N ZINC001219112366 1031257460 /nfs/dbraw/zinc/25/74/60/1031257460.db2.gz FDWMNCOXLOWSJI-NQIIRXRSSA-N 1 0 396.560 3.847 20 30 GHEDRO CC(C)Oc1cc(NC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)cc(C(F)(F)F)c1 ZINC001219172561 1031285534 /nfs/dbraw/zinc/28/55/34/1031285534.db2.gz OJJORSIZSYFDLC-SFHVURJKSA-N 1 0 391.393 3.873 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)cc2ncccc21 ZINC001219186587 1031294741 /nfs/dbraw/zinc/29/47/41/1031294741.db2.gz PIISQXWHJYHETL-INIZCTEOSA-N 1 0 384.361 3.634 20 30 GHEDRO N#Cc1cccc(C[C@H]([NH3+])C(=O)Nc2cc(F)cc3c2-c2ccc(F)cc2C3)c1 ZINC001219548186 1031492505 /nfs/dbraw/zinc/49/25/05/1031492505.db2.gz NFTVUOSKQVQQDX-FQEVSTJZSA-N 1 0 389.405 3.916 20 30 GHEDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC001219663343 1031546702 /nfs/dbraw/zinc/54/67/02/1031546702.db2.gz NAESIBQRYXAQMM-APWZRJJASA-N 1 0 379.529 3.826 20 30 GHEDRO C[C@@H](NC(=O)NC(C)(C)Cc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001226058724 1031764083 /nfs/dbraw/zinc/76/40/83/1031764083.db2.gz XQELYEVZDMTEIJ-XLIONFOSSA-N 1 0 382.552 3.832 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(C)c[nH]c2=O)cc1OC ZINC001461807858 1069760845 /nfs/dbraw/zinc/76/08/45/1069760845.db2.gz QUYCGAJIZGOPCW-UHFFFAOYSA-N 1 0 393.281 3.721 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)C(C)C ZINC001220597963 1032003386 /nfs/dbraw/zinc/00/33/86/1032003386.db2.gz KTTZRVLNXUDTRK-AQNXPRMDSA-N 1 0 379.589 3.826 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1C#N ZINC001220615037 1032013921 /nfs/dbraw/zinc/01/39/21/1032013921.db2.gz SYBHMEGMSJHMOK-IBGZPJMESA-N 1 0 388.581 3.836 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1F ZINC001461837941 1069781925 /nfs/dbraw/zinc/78/19/25/1069781925.db2.gz LECDMPXEPOHXJJ-AVRDEDQJSA-N 1 0 381.495 3.895 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001157167236 1033443793 /nfs/dbraw/zinc/44/37/93/1033443793.db2.gz REMDHVOVWCINBZ-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1OC1CC[NH+](C2CC2)CC1 ZINC001229379774 1033447728 /nfs/dbraw/zinc/44/77/28/1033447728.db2.gz HRRLFMOKLCMFMN-RPCRKUJJSA-N 1 0 391.515 3.936 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001229419871 1033471722 /nfs/dbraw/zinc/47/17/22/1033471722.db2.gz FRWPTOZDOMTGGO-UHFFFAOYSA-N 1 0 382.552 3.976 20 30 GHEDRO C=C(C)CN1CCC2(CC[NH+](Cc3c(C)cncc3Br)CC2)C1=O ZINC001277397945 1033551378 /nfs/dbraw/zinc/55/13/78/1033551378.db2.gz DDPFWCFTKFHEDX-UHFFFAOYSA-N 1 0 392.341 3.543 20 30 GHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157425900 1033579813 /nfs/dbraw/zinc/57/98/13/1033579813.db2.gz LEHDENCULOEVCF-OAHLLOKOSA-N 1 0 376.838 3.910 20 30 GHEDRO CN1C(=O)CCc2cc(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)cc(Cl)c21 ZINC001205894402 1033624527 /nfs/dbraw/zinc/62/45/27/1033624527.db2.gz HUUPIAQMXOYYDX-UHFFFAOYSA-N 1 0 386.908 3.914 20 30 GHEDRO CC(C)c1ccc(C#N)c(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)n1 ZINC001157531320 1033644070 /nfs/dbraw/zinc/64/40/70/1033644070.db2.gz NDLJHSTWDWBNKY-UHFFFAOYSA-N 1 0 390.413 3.776 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001206069617 1033708366 /nfs/dbraw/zinc/70/83/66/1033708366.db2.gz MZSSTMPFBHHZNE-JOCHJYFZSA-N 1 0 387.524 3.654 20 30 GHEDRO CCC[NH+]1C[C@@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)C[C@H]2C1 ZINC001157693002 1033724633 /nfs/dbraw/zinc/72/46/33/1033724633.db2.gz URGUWFIPNJSPFU-IAGOWNOFSA-N 1 0 379.533 3.515 20 30 GHEDRO N#Cc1cc(F)cnc1N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001158088092 1033908405 /nfs/dbraw/zinc/90/84/05/1033908405.db2.gz DXDWMGBAKIZJFW-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO CC[NH+]1CCC(Oc2c(O)ccc(/C=C/C(=O)c3ccc(O)cc3)c2OC)CC1 ZINC001230153001 1033919923 /nfs/dbraw/zinc/91/99/23/1033919923.db2.gz AWVVTJAZKCORNL-UXBLZVDNSA-N 1 0 397.471 3.866 20 30 GHEDRO CC[N@@H+]1CCC[C@H](Oc2c(O)ccc(/C=C/C(=O)c3ccc(O)cc3)c2OC)C1 ZINC001230153279 1033921110 /nfs/dbraw/zinc/92/11/10/1033921110.db2.gz DGHHCXBLWYGLAP-BEBFYNPSSA-N 1 0 397.471 3.866 20 30 GHEDRO COc1ccc(CN(c2ccc3c(C#N)c[nH]c3n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158157973 1033942598 /nfs/dbraw/zinc/94/25/98/1033942598.db2.gz IEWXTOZOHOUWGP-IYARVYRRSA-N 1 0 375.476 3.720 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158168763 1033950294 /nfs/dbraw/zinc/95/02/94/1033950294.db2.gz ZXXJPFIENYBVAW-MEMLXQNLSA-N 1 0 378.596 3.982 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2-n2ncc3c2cccc3C[NH3+])c1 ZINC001158312455 1034016277 /nfs/dbraw/zinc/01/62/77/1034016277.db2.gz HEFHLKJSEDZJKG-UHFFFAOYSA-N 1 0 376.807 3.592 20 30 GHEDRO COc1ccnc(N(c2nc(-c3cccs3)ccc2C#N)C2CC[NH2+]CC2)c1 ZINC001158326109 1034025213 /nfs/dbraw/zinc/02/52/13/1034025213.db2.gz VQBWLIRTUURCHJ-UHFFFAOYSA-N 1 0 391.500 3.975 20 30 GHEDRO C[N@@H+]1CCN(c2cnc(Cl)nc2Oc2ccccc2C#N)C2(CCCC2)C1 ZINC001158410754 1034065161 /nfs/dbraw/zinc/06/51/61/1034065161.db2.gz WQHXQMHCENTFHP-UHFFFAOYSA-N 1 0 383.883 3.859 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(C)cc(Br)c3)C2)C1=O ZINC001276509989 1034109839 /nfs/dbraw/zinc/10/98/39/1034109839.db2.gz HAFCQWOFKMKEKN-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c1 ZINC001276511342 1034165062 /nfs/dbraw/zinc/16/50/62/1034165062.db2.gz RKZDUTMTHUUSLW-QZTJIDSGSA-N 1 0 390.325 3.627 20 30 GHEDRO C=CCN(CC[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001207204656 1034172273 /nfs/dbraw/zinc/17/22/73/1034172273.db2.gz SWXYLLRXZGCCDQ-OAQYLSRUSA-N 1 0 397.560 3.646 20 30 GHEDRO C[C@]1(C[NH3+])CCCN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)C1 ZINC001158683291 1034229305 /nfs/dbraw/zinc/22/93/05/1034229305.db2.gz ZLNXQXUVRUIJKE-GOSISDBHSA-N 1 0 391.853 3.779 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(OC)c(Cl)c(F)c3F)CC2)C1=O ZINC001276521099 1034251200 /nfs/dbraw/zinc/25/12/00/1034251200.db2.gz DTGVVEUWBPATFB-UHFFFAOYSA-N 1 0 384.854 3.627 20 30 GHEDRO C[C@H](c1ccccc1)N(c1nc(Cl)nc2c1CC[NH2+]C2)C1=CC(=O)CCC1 ZINC001158794266 1034274343 /nfs/dbraw/zinc/27/43/43/1034274343.db2.gz DICYGZOOLSZGGW-CQSZACIVSA-N 1 0 382.895 3.980 20 30 GHEDRO N#CC1(c2ccccc2F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)CC1 ZINC001158889393 1034320584 /nfs/dbraw/zinc/32/05/84/1034320584.db2.gz QITMKMNYFAJCLA-UHFFFAOYSA-N 1 0 394.494 3.757 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001207376746 1034320965 /nfs/dbraw/zinc/32/09/65/1034320965.db2.gz ZUEMQWYGRFBSCE-GOSISDBHSA-N 1 0 385.508 3.801 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCc4cccc(Cl)c4)C3)CC2=O)c1 ZINC001207423250 1034358799 /nfs/dbraw/zinc/35/87/99/1034358799.db2.gz FTYPBWPESNBVCZ-JOCHJYFZSA-N 1 0 379.891 3.883 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCc1ccccc1Br)C2 ZINC001207530976 1034434865 /nfs/dbraw/zinc/43/48/65/1034434865.db2.gz ICYVLPMJGYBRAN-MJGOQNOKSA-N 1 0 380.326 3.818 20 30 GHEDRO COc1ccc(COc2cc(C#N)cc(Nc3cnc4c(c3)C[NH2+]CC4)c2)cc1 ZINC001159141156 1034446852 /nfs/dbraw/zinc/44/68/52/1034446852.db2.gz WKXSFZXQDPXSLN-UHFFFAOYSA-N 1 0 386.455 3.930 20 30 GHEDRO CCOC(=O)[C@H]1CCCc2sc(Nc3cccc(OCC[NH3+])c3)c(C#N)c21 ZINC001159166646 1034462794 /nfs/dbraw/zinc/46/27/94/1034462794.db2.gz DBQQYNUHMKKJRV-HNNXBMFYSA-N 1 0 385.489 3.684 20 30 GHEDRO N#Cc1c2c(cnc1NCc1ccc(C3(C(F)(F)F)N=N3)cc1)C[NH2+]CCC2 ZINC001159253505 1034503818 /nfs/dbraw/zinc/50/38/18/1034503818.db2.gz WKHZFPIEYSZHMW-UHFFFAOYSA-N 1 0 386.381 3.782 20 30 GHEDRO Cc1c(Br)cccc1CN1CCC[C@]12CCN(CCCC#N)C2=O ZINC001277511275 1034551709 /nfs/dbraw/zinc/55/17/09/1034551709.db2.gz ZDVMZBZTJVVKGV-LJQANCHMSA-N 1 0 390.325 3.628 20 30 GHEDRO C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC001231399704 1034562192 /nfs/dbraw/zinc/56/21/92/1034562192.db2.gz IVPUUQLHJNCCDO-UPVQGACJSA-N 1 0 387.527 3.983 20 30 GHEDRO N#Cc1nc(Cl)c(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)nc1C#N ZINC001159561122 1034664132 /nfs/dbraw/zinc/66/41/32/1034664132.db2.gz NUIXJDKUDCDGAT-IADFQQGMSA-N 1 0 392.894 3.506 20 30 GHEDRO COc1ccc(C#N)cc1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001159577050 1034676393 /nfs/dbraw/zinc/67/63/93/1034676393.db2.gz ZVAUWRGHYYXNHD-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(F)cc3OC)CC2)C1 ZINC001231601893 1034757988 /nfs/dbraw/zinc/75/79/88/1034757988.db2.gz LACYSXFODLEONQ-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3CN(c4ccc(C)nn4)CCO[C@@H]3C2)CC1 ZINC001208175705 1034775234 /nfs/dbraw/zinc/77/52/34/1034775234.db2.gz ZTNMKFHHUKVIJR-YPAWHYETSA-N 1 0 382.552 3.615 20 30 GHEDRO COc1cc(C#N)ccc1CN1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001231621900 1034779795 /nfs/dbraw/zinc/77/97/95/1034779795.db2.gz LUFATUVUOUERBD-HXUWFJFHSA-N 1 0 389.421 3.816 20 30 GHEDRO C=CCOc1cccc(CN2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)c1 ZINC001231621869 1034779921 /nfs/dbraw/zinc/77/99/21/1034779921.db2.gz LFIMPJBHZLJJMP-LJQANCHMSA-N 1 0 390.487 3.558 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC001231622776 1034781224 /nfs/dbraw/zinc/78/12/24/1034781224.db2.gz IAUVLTKHBLULBC-XMMPIXPASA-N 1 0 391.515 3.661 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ccc(OC)cc2)C3)c1 ZINC001231655063 1034813144 /nfs/dbraw/zinc/81/31/44/1034813144.db2.gz KOGVDCQTOWMBKF-RUZDIDTESA-N 1 0 390.527 3.796 20 30 GHEDRO N#Cc1c(F)cc(Br)cc1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001160021941 1034832979 /nfs/dbraw/zinc/83/29/79/1034832979.db2.gz MZRFPCAGFQQEMO-UHFFFAOYSA-N 1 0 389.272 3.609 20 30 GHEDRO Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc(-c2ccccn2)n1 ZINC001160106962 1034864095 /nfs/dbraw/zinc/86/40/95/1034864095.db2.gz BLYCNNFSKFOOQI-UHFFFAOYSA-N 1 0 384.487 3.817 20 30 GHEDRO C#Cc1cccc(N(c2cncc(C[NH3+])c2)c2ncnc3cc(OC)c(N)cc32)c1 ZINC001160279707 1034926258 /nfs/dbraw/zinc/92/62/58/1034926258.db2.gz HSQUSXRVOFMYOO-UHFFFAOYSA-N 1 0 396.454 3.525 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@H]2CC ZINC001231818786 1034927562 /nfs/dbraw/zinc/92/75/62/1034927562.db2.gz XJXMMCCACXIGSU-UPVQGACJSA-N 1 0 394.563 3.958 20 30 GHEDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231820623 1034928339 /nfs/dbraw/zinc/92/83/39/1034928339.db2.gz QFILXIOIIMFXNY-MJGOQNOKSA-N 1 0 386.540 3.914 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001231820655 1034929067 /nfs/dbraw/zinc/92/90/67/1034929067.db2.gz RBKQHNFGXJCKGW-VQTJNVASSA-N 1 0 398.551 3.725 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)cc1 ZINC001231821347 1034929175 /nfs/dbraw/zinc/92/91/75/1034929175.db2.gz BBTROJBKEXLHBR-OAQYLSRUSA-N 1 0 394.494 3.570 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208582261 1034939639 /nfs/dbraw/zinc/93/96/39/1034939639.db2.gz GWNVYXKHZUJUNH-QFIPXVFZSA-N 1 0 397.563 3.762 20 30 GHEDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c(O)c1 ZINC001231847806 1034940691 /nfs/dbraw/zinc/94/06/91/1034940691.db2.gz FARASPVXSIJSFF-UHFFFAOYSA-N 1 0 378.476 3.667 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)C1 ZINC001231866359 1034953153 /nfs/dbraw/zinc/95/31/53/1034953153.db2.gz FELRZNDHHJMUPD-FQEVSTJZSA-N 1 0 378.900 3.965 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1[C@@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001160373868 1034960245 /nfs/dbraw/zinc/96/02/45/1034960245.db2.gz CGLFVOQXCBGOET-HOTGVXAUSA-N 1 0 383.458 3.639 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4c3cccc4OC)C2)C1 ZINC001231895378 1034973648 /nfs/dbraw/zinc/97/36/48/1034973648.db2.gz MHLZKYZNZPRWOY-QFIPXVFZSA-N 1 0 383.492 3.787 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001160454842 1034979918 /nfs/dbraw/zinc/97/99/18/1034979918.db2.gz KMFSKPVVBFZGCJ-LGVFNWMJSA-N 1 0 387.527 3.560 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@H](C)c1cccc2ccccc21 ZINC001208708598 1034987680 /nfs/dbraw/zinc/98/76/80/1034987680.db2.gz YONJKJQPJQJXKF-HTAPYJJXSA-N 1 0 376.504 3.874 20 30 GHEDRO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2c2cc3ccccc3[nH]2)C1 ZINC001160497524 1034989293 /nfs/dbraw/zinc/98/92/93/1034989293.db2.gz AALWBMFGNDHHMX-GAZXMLTASA-N 1 0 398.510 3.924 20 30 GHEDRO N#Cc1ccc(N2CCCN(Cc3cc(Cl)ncc3C(F)(F)F)CC2)nc1 ZINC001231931989 1034997514 /nfs/dbraw/zinc/99/75/14/1034997514.db2.gz RHSYYMHYKGHNMV-UHFFFAOYSA-N 1 0 395.816 3.733 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCc1ccc(OC)c(OC)c1)[C@H]2CC ZINC001208751157 1034998249 /nfs/dbraw/zinc/99/82/49/1034998249.db2.gz CTDWPIXGDYGWCE-GMAHTHKFSA-N 1 0 386.536 3.668 20 30 GHEDRO Cc1cnc(NCCC(=O)N2Cc3ccccc3C#Cc3ccccc32)c(C[NH3+])c1 ZINC001160700970 1035038971 /nfs/dbraw/zinc/03/89/71/1035038971.db2.gz PWFXIGNUIBPLJR-UHFFFAOYSA-N 1 0 396.494 3.597 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC001160740423 1035051978 /nfs/dbraw/zinc/05/19/78/1035051978.db2.gz BJWBPWVEJGLTLK-HXUWFJFHSA-N 1 0 383.879 3.637 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CC2)COCCN(c2nccs2)C3)c1 ZINC001208849443 1035056625 /nfs/dbraw/zinc/05/66/25/1035056625.db2.gz HMKIVKNCSOZBAO-UHFFFAOYSA-N 1 0 396.560 3.566 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](CCCc3cccc(C#N)c3)CC2)C1=O ZINC001208850150 1035056984 /nfs/dbraw/zinc/05/69/84/1035056984.db2.gz YSVICGRLOAYQFI-HSZRJFAPSA-N 1 0 387.527 3.829 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+]2CCCc1cccc(C#N)c1 ZINC001208851866 1035058060 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GJCNDMIPEMADEO-KMDXXIMOSA-N 1 0 391.515 3.582 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@H]2CF)CC1 ZINC001208925941 1035092191 /nfs/dbraw/zinc/09/21/91/1035092191.db2.gz ZJOQMNMGCFIQFU-MOPGFXCFSA-N 1 0 387.499 3.676 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CCN(Cc1c(F)cncc1Br)C2 ZINC001232127544 1035111452 /nfs/dbraw/zinc/11/14/52/1035111452.db2.gz RKFJNKTWDRXANP-ZWKOTPCHSA-N 1 0 399.304 3.557 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(NC3CC[NH+](Cc4ccncc4)CC3)nn2)cc1 ZINC001161100986 1035141306 /nfs/dbraw/zinc/14/13/06/1035141306.db2.gz CYASOCXMEWHGBG-QFIPXVFZSA-N 1 0 398.514 3.912 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCOC(=O)c3ccccc3)CC2)cc1Cl ZINC001209046486 1035157048 /nfs/dbraw/zinc/15/70/48/1035157048.db2.gz JSSUMTCCICQDJR-UHFFFAOYSA-N 1 0 384.863 3.912 20 30 GHEDRO C#CC[N@@H+](CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCc2ccccc21 ZINC001209066712 1035161765 /nfs/dbraw/zinc/16/17/65/1035161765.db2.gz MXZRWJNBEISXGS-TZIWHRDSSA-N 1 0 384.520 3.635 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N(C3COC3)[C@H]3CC[C@H]([NH3+])CC3)c12 ZINC001161280912 1035200822 /nfs/dbraw/zinc/20/08/22/1035200822.db2.gz WJCHFASSRXTZRM-JOCQHMNTSA-N 1 0 388.874 3.683 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161365789 1035216848 /nfs/dbraw/zinc/21/68/48/1035216848.db2.gz MJXDXUVCWDVEEP-HDJSIYSDSA-N 1 0 378.867 3.958 20 30 GHEDRO C#CCCC[NH+]1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC001209269358 1035227005 /nfs/dbraw/zinc/22/70/05/1035227005.db2.gz VPLJLXSEHATDML-UHFFFAOYSA-N 1 0 376.479 3.759 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001161472369 1035238609 /nfs/dbraw/zinc/23/86/09/1035238609.db2.gz KCNQGAQDXQYULB-ZDUSSCGKSA-N 1 0 390.318 3.651 20 30 GHEDRO N#C[C@H](c1ccc(N2CCC([NH3+])(CC3CCC3)CC2)nn1)c1ccccc1F ZINC001161575802 1035262021 /nfs/dbraw/zinc/26/20/21/1035262021.db2.gz FDMZOZASVFGQDX-SFHVURJKSA-N 1 0 379.483 3.759 20 30 GHEDRO C=CCCCCCC[N@@H+]1CCc2cnn(CC3CCOCC3)c2[C@H]1COC ZINC001209435265 1035274048 /nfs/dbraw/zinc/27/40/48/1035274048.db2.gz HVVBMQWGWFKJIR-OAQYLSRUSA-N 1 0 375.557 3.992 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(C)n3)CCO[C@H]2C1 ZINC001209442532 1035275128 /nfs/dbraw/zinc/27/51/28/1035275128.db2.gz WSLRKFGKJQIRMG-PKTZIBPZSA-N 1 0 399.579 3.966 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCCc2ccccn2)C1 ZINC001209441301 1035275188 /nfs/dbraw/zinc/27/51/88/1035275188.db2.gz JRRYHSOBBLGBPQ-ISKFKSNPSA-N 1 0 399.579 3.748 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c4ccccc4nn3C)CC2)C1 ZINC001209538132 1035308465 /nfs/dbraw/zinc/30/84/65/1035308465.db2.gz MTMUEAUFJBLZJH-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1Nc1ccc(Br)cc1C[NH3+] ZINC001161853127 1035315662 /nfs/dbraw/zinc/31/56/62/1035315662.db2.gz IMFNSMYVZDMVKT-UHFFFAOYSA-N 1 0 380.249 3.980 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(C(=O)N4CCCC4)cc3)C2)cc1 ZINC001209680844 1035354265 /nfs/dbraw/zinc/35/42/65/1035354265.db2.gz UYYIAQNYDOOWNE-QHCPKHFHSA-N 1 0 389.499 3.838 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cccc4nccc(Cl)c43)no2)cc1 ZINC001248159708 1035587368 /nfs/dbraw/zinc/58/73/68/1035587368.db2.gz RUEFZBREKFDDGG-HNNXBMFYSA-N 1 0 389.846 3.922 20 30 GHEDRO N#CCC(=O)Nc1nc2ccccc2nc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241502544 1035596340 /nfs/dbraw/zinc/59/63/40/1035596340.db2.gz KYZZJJYGSARQON-UHFFFAOYSA-N 1 0 383.455 3.771 20 30 GHEDRO CCOC(=O)c1cnc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001241759185 1035680301 /nfs/dbraw/zinc/68/03/01/1035680301.db2.gz MTDRAEKDGAPCKL-UHFFFAOYSA-N 1 0 379.460 3.662 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(F)cc2C#N)nc2ccccc21 ZINC001242581342 1035925489 /nfs/dbraw/zinc/92/54/89/1035925489.db2.gz QPAXEBONEGNETK-UHFFFAOYSA-N 1 0 390.462 3.984 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNC(=O)NCC#C[C@@H]1CCCCO1)c1ccc(Cl)cc1 ZINC001248627696 1036003303 /nfs/dbraw/zinc/00/33/03/1036003303.db2.gz AYPOMKRBHWLAOD-PMACEKPBSA-N 1 0 391.943 3.595 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001248715028 1036077468 /nfs/dbraw/zinc/07/74/68/1036077468.db2.gz FEDVCIXUCQCBMY-QFIPXVFZSA-N 1 0 394.494 3.749 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001248750672 1036108613 /nfs/dbraw/zinc/10/86/13/1036108613.db2.gz RJDIGAMQFFHJPT-JTHBVZDNSA-N 1 0 377.488 3.718 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001248753211 1036110693 /nfs/dbraw/zinc/11/06/93/1036110693.db2.gz XEVOTZNAOJJAPA-QGZVFWFLSA-N 1 0 390.409 3.973 20 30 GHEDRO C[NH+]1CCC(c2ccc(-c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)cc2)CC1 ZINC001243653503 1036239152 /nfs/dbraw/zinc/23/91/52/1036239152.db2.gz XXNZKEGUWOKEIA-LJQANCHMSA-N 1 0 392.503 3.902 20 30 GHEDRO Cc1cc(N2CCOCC2)ccc1-c1ccc(OC2CC[NH2+]CC2)c(C#N)c1 ZINC001244166067 1036411222 /nfs/dbraw/zinc/41/12/22/1036411222.db2.gz LQKHUUVUUNWLDM-UHFFFAOYSA-N 1 0 377.488 3.501 20 30 GHEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC001245802503 1037005540 /nfs/dbraw/zinc/00/55/40/1037005540.db2.gz SNSXHUJEMDNVEH-QKDCVEJESA-N 1 0 382.455 3.879 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001245902031 1037047527 /nfs/dbraw/zinc/04/75/27/1037047527.db2.gz CUMURFRGEXETQM-UHFFFAOYSA-N 1 0 376.529 3.778 20 30 GHEDRO CCCCCCCC(=O)c1ccc(NC[C@@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001245977249 1037102152 /nfs/dbraw/zinc/10/21/52/1037102152.db2.gz WLQUXEKPLTVLTM-FQEVSTJZSA-N 1 0 376.541 3.507 20 30 GHEDRO CCCCCCCC[C@@H](O)CN[C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001245980040 1037105863 /nfs/dbraw/zinc/10/58/63/1037105863.db2.gz FKBGRYLWDHZVGP-YADHBBJMSA-N 1 0 392.584 3.929 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246274075 1037271681 /nfs/dbraw/zinc/27/16/81/1037271681.db2.gz REHLXAGCBPFTNN-YSZBQJHXSA-N 1 0 391.515 3.538 20 30 GHEDRO C=CCCC[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC001246615306 1037507570 /nfs/dbraw/zinc/50/75/70/1037507570.db2.gz QZLJWCHQKVLOPS-JOCHJYFZSA-N 1 0 385.552 3.838 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(SC)nc3)CC2)C1 ZINC001232324002 1038097469 /nfs/dbraw/zinc/09/74/69/1038097469.db2.gz DQRJOUVPPCSJSE-UHFFFAOYSA-N 1 0 375.538 3.804 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(OC)c(Cl)cc1OC)CC2 ZINC001232371558 1038145682 /nfs/dbraw/zinc/14/56/82/1038145682.db2.gz BLMLBMPRZWDYGR-NRFANRHFSA-N 1 0 392.927 3.890 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3cc(Cl)cs3)C2)C1=O ZINC001277673141 1038270089 /nfs/dbraw/zinc/27/00/89/1038270089.db2.gz KHLZDJCPLVEMTP-FPOVZHCZSA-N 1 0 384.932 3.853 20 30 GHEDRO N#Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4cc(Cl)cs4)C3)C2=O)c1 ZINC001277674096 1038275491 /nfs/dbraw/zinc/27/54/91/1038275491.db2.gz PWUKOHYGWVHPBI-HXUWFJFHSA-N 1 0 385.920 3.898 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(OCc3ccccc3)ccn1)C2 ZINC001232591181 1038364038 /nfs/dbraw/zinc/36/40/38/1038364038.db2.gz KTZOHUWSFMDTJG-RPWUZVMVSA-N 1 0 394.515 3.987 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc([C@@H]3Oc4ccccc4C34CC[NH2+]CC4)n2)c1 ZINC001247898384 1038471624 /nfs/dbraw/zinc/47/16/24/1038471624.db2.gz PCROGSIXPKOZGL-SFHVURJKSA-N 1 0 376.391 3.502 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccc1[O-])CC2 ZINC001232677835 1038476567 /nfs/dbraw/zinc/47/65/67/1038476567.db2.gz PVYXMAQZQNOVED-QFIPXVFZSA-N 1 0 391.515 3.519 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(Br)[nH]1)CC2 ZINC001232683340 1038480778 /nfs/dbraw/zinc/48/07/78/1038480778.db2.gz CFEWDIARMZVODY-UHFFFAOYSA-N 1 0 396.329 3.778 20 30 GHEDRO CN(Cc1cccc(C#N)c1)Cc1ccc(O)cc1I ZINC001232721362 1038516163 /nfs/dbraw/zinc/51/61/63/1038516163.db2.gz ZBQMKXPUNPOVQS-UHFFFAOYSA-N 1 0 378.213 3.500 20 30 GHEDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccc(C#N)s4)C3)C2)cc1 ZINC001232842500 1038593791 /nfs/dbraw/zinc/59/37/91/1038593791.db2.gz HEJCFZODQNHYMG-JOCHJYFZSA-N 1 0 397.544 3.747 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)s1 ZINC001232844136 1038595882 /nfs/dbraw/zinc/59/58/82/1038595882.db2.gz GQVFCIVMSIYSHJ-UHFFFAOYSA-N 1 0 392.532 3.642 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(O)c(I)c1 ZINC001232873745 1038639901 /nfs/dbraw/zinc/63/99/01/1038639901.db2.gz FSJWPYXNQLZDKV-UHFFFAOYSA-N 1 0 378.213 3.500 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)s1 ZINC001252041496 1038826941 /nfs/dbraw/zinc/82/69/41/1038826941.db2.gz KTGQBFGSVBREFL-UHFFFAOYSA-N 1 0 390.512 3.798 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001233081391 1038851304 /nfs/dbraw/zinc/85/13/04/1038851304.db2.gz WYMHZVQMJYBSQQ-RPWUZVMVSA-N 1 0 391.515 3.850 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCC2CCOCC2)C1 ZINC001233081830 1038855969 /nfs/dbraw/zinc/85/59/69/1038855969.db2.gz QUJVYABFONGMEK-DNQXCXABSA-N 1 0 398.547 3.681 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001252126913 1038874254 /nfs/dbraw/zinc/87/42/54/1038874254.db2.gz UTMNHCWDGJRPKJ-CWBXHPNXSA-N 1 0 390.568 3.942 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CCOC[C@H]2NC(=O)C(C)C)CC1 ZINC001252127742 1038876917 /nfs/dbraw/zinc/87/69/17/1038876917.db2.gz DSEUWMZPVGPQRR-LEWJYISDSA-N 1 0 396.616 3.741 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001252127725 1038877437 /nfs/dbraw/zinc/87/74/37/1038877437.db2.gz DPHIYSDJAZBIPH-QZNHQXDQSA-N 1 0 387.568 3.521 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001252129086 1038880281 /nfs/dbraw/zinc/88/02/81/1038880281.db2.gz WKSXBRPSSAULJS-HSALFYBXSA-N 1 0 378.582 3.863 20 30 GHEDRO C[C@](O)(C[N@@H+]1CCC12CCCCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252316401 1038940533 /nfs/dbraw/zinc/94/05/33/1038940533.db2.gz GMLWTGFEXFCSSU-SFHVURJKSA-N 1 0 395.425 3.675 20 30 GHEDRO CCC[C@H]1CCCC[N@@H+]1C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252320293 1038941555 /nfs/dbraw/zinc/94/15/55/1038941555.db2.gz LESPDMWUJNMMLB-QFBILLFUSA-N 1 0 397.441 3.921 20 30 GHEDRO C[N@H+](CC1CCCCC1)C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252319105 1038941780 /nfs/dbraw/zinc/94/17/80/1038941780.db2.gz AWDHZOSWQTXSCF-LJQANCHMSA-N 1 0 397.441 3.779 20 30 GHEDRO C=CCCCC[N@@H+](C)C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252324293 1038942402 /nfs/dbraw/zinc/94/24/02/1038942402.db2.gz IDBLQJZFXILHKG-SFHVURJKSA-N 1 0 383.414 3.555 20 30 GHEDRO C=CC[N@H+](C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)C ZINC001252323709 1038942793 /nfs/dbraw/zinc/94/27/93/1038942793.db2.gz APLATHGZMAHGET-GOSISDBHSA-N 1 0 383.414 3.553 20 30 GHEDRO CCCCCCC[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339650 1038946220 /nfs/dbraw/zinc/94/62/20/1038946220.db2.gz IRRBAFUQZCYALR-GOSISDBHSA-N 1 0 385.430 3.827 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC001252594903 1039041563 /nfs/dbraw/zinc/04/15/63/1039041563.db2.gz BHRPDJYEUDXINB-OAQYLSRUSA-N 1 0 376.504 3.903 20 30 GHEDRO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233284637 1039059734 /nfs/dbraw/zinc/05/97/34/1039059734.db2.gz CAWOHBYFBGTSOS-IBGZPJMESA-N 1 0 384.524 3.603 20 30 GHEDRO C=CCCSCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001252773187 1039165573 /nfs/dbraw/zinc/16/55/73/1039165573.db2.gz WMBPMJUOGHTION-FHWLQOOXSA-N 1 0 375.582 3.989 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+]C1CCN(S(=O)(=O)C(C)C)CC1 ZINC001252986301 1039314237 /nfs/dbraw/zinc/31/42/37/1039314237.db2.gz LKMXOSTXZWCOOX-FQEVSTJZSA-N 1 0 390.634 3.670 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001253236337 1039491603 /nfs/dbraw/zinc/49/16/03/1039491603.db2.gz SDDCQWFGWRAFQB-KJXAQDMKSA-N 1 0 385.552 3.644 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCN(c2ccccc2OCCOC)CC1 ZINC001253242488 1039500666 /nfs/dbraw/zinc/50/06/66/1039500666.db2.gz LVVJFJTYTDIGII-NRFANRHFSA-N 1 0 390.568 3.721 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C=C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001253257564 1039506026 /nfs/dbraw/zinc/50/60/26/1039506026.db2.gz YEOLXLCAUZHNQX-IYWMVGAKSA-N 1 0 378.557 3.885 20 30 GHEDRO COc1cc2c(cc1Cl)ncnc2O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001233785489 1039616971 /nfs/dbraw/zinc/61/69/71/1039616971.db2.gz XTXXZBCGJAVHJR-INIZCTEOSA-N 1 0 394.862 3.817 20 30 GHEDRO CCCCCCCCCCCCCC[C@@H](O)C[NH+]1CCN(CC(N)=O)CC1 ZINC001253566116 1039707214 /nfs/dbraw/zinc/70/72/14/1039707214.db2.gz XHKNDQPJPQZIKC-OAQYLSRUSA-N 1 0 383.621 3.541 20 30 GHEDRO C=C[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253587642 1039711110 /nfs/dbraw/zinc/71/11/10/1039711110.db2.gz NJCXDQPGQCBDTR-SFHVURJKSA-N 1 0 396.478 3.713 20 30 GHEDRO CCCCCCC[N@H+](CC)C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253871984 1039873296 /nfs/dbraw/zinc/87/32/96/1039873296.db2.gz XMXKPDVBUPIAAV-WOJBJXKFSA-N 1 0 380.483 3.799 20 30 GHEDRO COc1cc2cc(CC=C(C)C)c(=O)oc2cc1O[C@H](CC#N)C[N+](C)(C)C ZINC001234167523 1039902894 /nfs/dbraw/zinc/90/28/94/1039902894.db2.gz BPTHQCFUSVSRKX-GOSISDBHSA-N 1 0 385.484 3.678 20 30 GHEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)C1 ZINC001462414234 1070237131 /nfs/dbraw/zinc/23/71/31/1070237131.db2.gz OTDIEXGBAFJWDM-OALUTQOASA-N 1 0 390.572 3.700 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)C1 ZINC001462414237 1070237350 /nfs/dbraw/zinc/23/73/50/1070237350.db2.gz OTDIEXGBAFJWDM-RTBURBONSA-N 1 0 390.572 3.700 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc(C#N)c1 ZINC001254172962 1040024157 /nfs/dbraw/zinc/02/41/57/1040024157.db2.gz RIZAOFGLYDNMEA-JOCHJYFZSA-N 1 0 397.544 3.761 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1=O ZINC001254245524 1040097177 /nfs/dbraw/zinc/09/71/77/1040097177.db2.gz IKOJROYAIOHLCL-CQSZACIVSA-N 1 0 397.397 3.593 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CC[C@H](NC(=O)C3CC3)CC2)CC1 ZINC001254350932 1040182963 /nfs/dbraw/zinc/18/29/63/1040182963.db2.gz OWUWEPIETUCZNF-FDNODPCQSA-N 1 0 383.511 3.957 20 30 GHEDRO C=CCOCc1nn(C2CCC(C#N)(c3ccc(F)cc3)CC2)c2c1C[NH2+]C2 ZINC001254356009 1040190089 /nfs/dbraw/zinc/19/00/89/1040190089.db2.gz YXCWCGBUTDUEJP-UHFFFAOYSA-N 1 0 380.467 3.905 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@@H](Oc3ncccn3)C2)CC1 ZINC001254360339 1040192838 /nfs/dbraw/zinc/19/28/38/1040192838.db2.gz ZRCAVKDRZRUEAY-SNCIUUNGSA-N 1 0 380.467 3.863 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254514559 1040290908 /nfs/dbraw/zinc/29/09/08/1040290908.db2.gz MJSRKEFZLOHGSR-TZIWHRDSSA-N 1 0 388.552 3.578 20 30 GHEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 ZINC001254639641 1040414396 /nfs/dbraw/zinc/41/43/96/1040414396.db2.gz WSSIJZOKKWHNIT-GOTSBHOMSA-N 1 0 375.516 3.740 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]c(=S)n2[C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001254639455 1040414545 /nfs/dbraw/zinc/41/45/45/1040414545.db2.gz UUTOMJKMPYKIHK-WQVCFCJDSA-N 1 0 388.487 3.962 20 30 GHEDRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254659627 1040423260 /nfs/dbraw/zinc/42/32/60/1040423260.db2.gz RGAWMTXVLCEZDY-PZJWPPBQSA-N 1 0 389.547 3.869 20 30 GHEDRO CCC[N@H+]([C@H](C)C(=O)Nc1c(C)csc1C(=O)OC)[C@@H]1CC[C@@H](C#N)C1 ZINC001254669273 1040428339 /nfs/dbraw/zinc/42/83/39/1040428339.db2.gz QCNNZRZSCJTABU-RBSFLKMASA-N 1 0 377.510 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2ccccn2)[C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254678282 1040433722 /nfs/dbraw/zinc/43/37/22/1040433722.db2.gz ZYZSVSJHAICPLU-RLLQIKCJSA-N 1 0 384.524 3.975 20 30 GHEDRO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(O)c1Cl)CC2 ZINC001277919126 1040535647 /nfs/dbraw/zinc/53/56/47/1040535647.db2.gz RTDMBWZCYTYUHP-UHFFFAOYSA-N 1 0 375.900 3.554 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4CC[NH2+]C[C@H]43)c2)cc1 ZINC001235218873 1040699935 /nfs/dbraw/zinc/69/99/35/1040699935.db2.gz QUALHHPCNLBOFL-FOIQADDNSA-N 1 0 398.304 3.907 20 30 GHEDRO C#CC[C@@H](NC(=O)OC(C)(C)C)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255375633 1040968376 /nfs/dbraw/zinc/96/83/76/1040968376.db2.gz LFZDRJNWUUYDOQ-ZWKOTPCHSA-N 1 0 396.491 3.648 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001235518971 1040973805 /nfs/dbraw/zinc/97/38/05/1040973805.db2.gz PVEKIXGXPPGZOQ-GMAHTHKFSA-N 1 0 395.478 3.737 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255697053 1041221935 /nfs/dbraw/zinc/22/19/35/1041221935.db2.gz KUOYEBVSELTBDY-RDJZCZTQSA-N 1 0 379.426 3.874 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH2+]C[C@@H]3Cc3ccccc3)cn2)cc1 ZINC001235857881 1041384693 /nfs/dbraw/zinc/38/46/93/1041384693.db2.gz ZYXFURKBANERMN-QFIPXVFZSA-N 1 0 384.483 3.762 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]([NH3+])[C@@H](F)C3)c2)cc1 ZINC001235894195 1041416989 /nfs/dbraw/zinc/41/69/89/1041416989.db2.gz VQWAZNKZIZAXGN-ZWKOTPCHSA-N 1 0 390.256 3.594 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3CC[NH2+]C[C@@H]3c3cccs3)cn2)cc1 ZINC001236115552 1041546221 /nfs/dbraw/zinc/54/62/21/1041546221.db2.gz RWGQMLYIBIAGQG-LJQANCHMSA-N 1 0 376.485 3.954 20 30 GHEDRO C[NH+](C)CCCn1cc(-c2ccc(COc3ccc(CC#N)cc3)cn2)cn1 ZINC001236151414 1041571857 /nfs/dbraw/zinc/57/18/57/1041571857.db2.gz YVMVWUNISLPAMR-UHFFFAOYSA-N 1 0 375.476 3.542 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C3CCN(c4ccc(Cl)cc4)CC3)C2)C1=O ZINC001256310105 1041696296 /nfs/dbraw/zinc/69/62/96/1041696296.db2.gz LZMGBUQRVAYQAP-JOCHJYFZSA-N 1 0 387.955 3.809 20 30 GHEDRO C[C@H](CC(=O)N1CCOCC1)[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001256350316 1041708332 /nfs/dbraw/zinc/70/83/32/1041708332.db2.gz UBTMTCOBEFQASJ-WOJBJXKFSA-N 1 0 391.515 3.759 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-n4ccnc4)c(Cl)c3)CC2)nc1 ZINC001236913108 1041953904 /nfs/dbraw/zinc/95/39/04/1041953904.db2.gz DKTNEXKNWHVFQR-UHFFFAOYSA-N 1 0 392.894 3.505 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1Cl)C2 ZINC001236918535 1041958012 /nfs/dbraw/zinc/95/80/12/1041958012.db2.gz CIQUSQRSXNORPJ-TZIWHRDSSA-N 1 0 387.911 3.852 20 30 GHEDRO C#CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3ccsc3Cl)C2)C1=O ZINC001278068766 1042092678 /nfs/dbraw/zinc/09/26/78/1042092678.db2.gz LZTQJMZUTZGLHP-RXVVDRJESA-N 1 0 384.932 3.853 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(Cl)[nH]c3cnccc31)C2 ZINC001237456140 1042215800 /nfs/dbraw/zinc/21/58/00/1042215800.db2.gz ZFFMBLNKRZEOJP-UYAOXDASSA-N 1 0 375.900 3.790 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)CC1 ZINC001237462922 1042218930 /nfs/dbraw/zinc/21/89/30/1042218930.db2.gz NHVOFZRRJISGPX-HXUWFJFHSA-N 1 0 384.524 3.955 20 30 GHEDRO CCOC[C@H]1COCCC12CC[NH+](Cc1cn(C)c3ccc(C#N)cc13)CC2 ZINC001237467379 1042220439 /nfs/dbraw/zinc/22/04/39/1042220439.db2.gz COBHUPOLESBMHH-FQEVSTJZSA-N 1 0 381.520 3.705 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237469672 1042221734 /nfs/dbraw/zinc/22/17/34/1042221734.db2.gz XMTUBOOQRXFLKT-WZONZLPQSA-N 1 0 394.519 3.929 20 30 GHEDRO CC[N@H+](Cc1cn(C)c2ccc(C#N)cc12)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237473499 1042224632 /nfs/dbraw/zinc/22/46/32/1042224632.db2.gz LRRBWRFZQMVCLJ-GOSISDBHSA-N 1 0 382.508 3.881 20 30 GHEDRO COc1c(C)cccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001237509853 1042243105 /nfs/dbraw/zinc/24/31/05/1042243105.db2.gz DGFJHSKNIUTYJT-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3cc(C#N)c(F)cc3F)CC2)[C@H]1c1ccccc1 ZINC001237526798 1042251312 /nfs/dbraw/zinc/25/13/12/1042251312.db2.gz RCXQYPUBWLEUQS-HXUWFJFHSA-N 1 0 381.426 3.632 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]21 ZINC001237756125 1042355471 /nfs/dbraw/zinc/35/54/71/1042355471.db2.gz VVXYEWNBNIRSMC-CGTJXYLNSA-N 1 0 375.900 3.947 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cnc(C5CC5)s4)C3)CC2=O)c1 ZINC001237790157 1042370964 /nfs/dbraw/zinc/37/09/64/1042370964.db2.gz RHMUJLHMZMQKLT-OAQYLSRUSA-N 1 0 378.501 3.521 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3csc(-c4ccc(O)cc4)n3)C2)C1=O ZINC001237980402 1042443550 /nfs/dbraw/zinc/44/35/50/1042443550.db2.gz SVQWGNBGPJZEKU-NRFANRHFSA-N 1 0 383.517 3.516 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001238191000 1042514509 /nfs/dbraw/zinc/51/45/09/1042514509.db2.gz NLYQWZHGXRIUKP-ZJOUEHCJSA-N 1 0 394.906 3.753 20 30 GHEDRO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2ccc(Cl)c(C#N)c2)CC3)n1 ZINC001238191352 1042514662 /nfs/dbraw/zinc/51/46/62/1042514662.db2.gz RQJQMNKRIHUAEH-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC001238414913 1042588865 /nfs/dbraw/zinc/58/88/65/1042588865.db2.gz YSIHTXFKGZCHRW-IRLDBZIGSA-N 1 0 378.472 3.878 20 30 GHEDRO Cc1cnc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c(C)c1 ZINC001238428786 1042593629 /nfs/dbraw/zinc/59/36/29/1042593629.db2.gz JQCYRZHDOWOBRO-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC001238611536 1042659124 /nfs/dbraw/zinc/65/91/24/1042659124.db2.gz XGPILNANDYGMCE-HXUWFJFHSA-N 1 0 381.476 3.634 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)ccc1C#N ZINC001238761564 1042718140 /nfs/dbraw/zinc/71/81/40/1042718140.db2.gz DTXNYTYDGRIAKT-HXUWFJFHSA-N 1 0 395.478 3.857 20 30 GHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC001238825098 1042739246 /nfs/dbraw/zinc/73/92/46/1042739246.db2.gz AOOAOWWSFGPEQI-AZUOUTSGSA-N 1 0 398.576 3.772 20 30 GHEDRO CCCCCCCCS(=O)(=O)NCC1(c2ccccc2OC)CC[NH2+]CC1 ZINC001238850836 1042741644 /nfs/dbraw/zinc/74/16/44/1042741644.db2.gz QBXNZQCCXYEXFP-UHFFFAOYSA-N 1 0 396.597 3.596 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001239213400 1042787251 /nfs/dbraw/zinc/78/72/51/1042787251.db2.gz BZWHXHQOJLWDCL-FQEVSTJZSA-N 1 0 385.552 3.803 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001239218630 1042788313 /nfs/dbraw/zinc/78/83/13/1042788313.db2.gz FRTJBJAKWWLAPA-SFHVURJKSA-N 1 0 380.536 3.865 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001239401624 1042823386 /nfs/dbraw/zinc/82/33/86/1042823386.db2.gz JFUFMSXVBHQUBB-SFHVURJKSA-N 1 0 386.650 3.615 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001291437766 1043254929 /nfs/dbraw/zinc/25/49/29/1043254929.db2.gz REVDQUAXJYRKKJ-OALUTQOASA-N 1 0 394.567 3.836 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCC[NH+]1CCCCC1 ZINC001291506304 1043314857 /nfs/dbraw/zinc/31/48/57/1043314857.db2.gz WXVZDQMKXMZHTC-WIYYLYMNSA-N 1 0 390.551 3.890 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001291702972 1043404176 /nfs/dbraw/zinc/40/41/76/1043404176.db2.gz BZHYNTXSUJMUFA-HKUYNNGSSA-N 1 0 380.540 3.641 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001291761844 1043448545 /nfs/dbraw/zinc/44/85/45/1043448545.db2.gz QMEABLPCNMVZRE-FFZOFVMBSA-N 1 0 392.551 3.639 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCc3c(cccc3OC)C1)[C@H]2CC ZINC001256647908 1043591974 /nfs/dbraw/zinc/59/19/74/1043591974.db2.gz IVZQLSCCZDUOQE-UCFCWBNQSA-N 1 0 382.548 3.974 20 30 GHEDRO O=C1c2ccccc2C(NC2CCC([NH+]3CCOCC3)CC2)=C1c1ccccc1 ZINC001256679673 1043618189 /nfs/dbraw/zinc/61/81/89/1043618189.db2.gz QTGNKUMOWSLVMK-UHFFFAOYSA-N 1 0 388.511 3.984 20 30 GHEDRO CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C1)[NH+]1CCCC1 ZINC001292195777 1043622394 /nfs/dbraw/zinc/62/23/94/1043622394.db2.gz NPMMRWGGNLXXIV-PXNSSMCTSA-N 1 0 378.524 3.537 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN([C@@H]3CCC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001256911326 1043736667 /nfs/dbraw/zinc/73/66/67/1043736667.db2.gz LSNPZNQJHREYCR-IRLDBZIGSA-N 1 0 375.557 3.504 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCCN([C@@H]3CCC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001256911745 1043737173 /nfs/dbraw/zinc/73/71/73/1043737173.db2.gz UCTNBYZIJXJWJO-OAQYLSRUSA-N 1 0 389.584 3.894 20 30 GHEDRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](C3CCC(C#N)CC3)CC2)Oc2ccccc21 ZINC001256968407 1043776963 /nfs/dbraw/zinc/77/69/63/1043776963.db2.gz SZUGXHKJQGEYEX-GPJFCIFZSA-N 1 0 395.547 3.948 20 30 GHEDRO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@@H+](C2CCC(C#N)CC2)CCO3)cs1 ZINC001256967202 1043777033 /nfs/dbraw/zinc/77/70/33/1043777033.db2.gz WVCJVGHJIYKWJR-USXQIBFBSA-N 1 0 389.565 3.922 20 30 GHEDRO CS(=O)(=O)c1ccc(CC[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001257010280 1043798159 /nfs/dbraw/zinc/79/81/59/1043798159.db2.gz WHZSTTCWXVUQIP-UHFFFAOYSA-N 1 0 382.529 3.820 20 30 GHEDRO CC(C)(C)[C@H](CN1C(=O)CCC1=O)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015295 1043800983 /nfs/dbraw/zinc/80/09/83/1043800983.db2.gz IRIPFFAOZHZWAT-MHJFOBGBSA-N 1 0 381.520 3.738 20 30 GHEDRO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](C4CCC(c5ccc(C#N)cc5)CC4)C[C@H]3O2)n1 ZINC001257019816 1043806146 /nfs/dbraw/zinc/80/61/46/1043806146.db2.gz OIJWZSGKCJOAOS-RYTOZCKSSA-N 1 0 392.503 3.608 20 30 GHEDRO CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001293423284 1044169237 /nfs/dbraw/zinc/16/92/37/1044169237.db2.gz CTFBTJHRJLKSRV-VQTJNVASSA-N 1 0 378.524 3.536 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+][C@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C[C@H](C1)C2 ZINC001257887144 1044244829 /nfs/dbraw/zinc/24/48/29/1044244829.db2.gz VTLOYFDSKRGCQY-SWDXFRIISA-N 1 0 376.541 3.737 20 30 GHEDRO C=C1C[C@@H]2CC(N(c3ccc(C)nn3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)C[C@H](C1)C2 ZINC001257892703 1044248499 /nfs/dbraw/zinc/24/84/99/1044248499.db2.gz BFQGMMYRDCEYHF-MOBLKYNXSA-N 1 0 382.552 3.637 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)/C=C/c2ccc(F)cc2)[C@H]1c1cccs1 ZINC001293866073 1044353565 /nfs/dbraw/zinc/35/35/65/1044353565.db2.gz ZWWQDQKKNZPPBX-WYOXUNLESA-N 1 0 386.492 3.669 20 30 GHEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001258228026 1044477674 /nfs/dbraw/zinc/47/76/74/1044477674.db2.gz CNBKMVIBVRNULX-XRXFAXGQSA-N 1 0 380.573 3.606 20 30 GHEDRO CCCCCCCCC[C@@H](C)N(Cc1ncn2c1C[NH2+]CCC2)S(C)(=O)=O ZINC001258230043 1044478577 /nfs/dbraw/zinc/47/85/77/1044478577.db2.gz XTIQBRBVKKRHPD-GOSISDBHSA-N 1 0 398.617 3.667 20 30 GHEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001258229083 1044478647 /nfs/dbraw/zinc/47/86/47/1044478647.db2.gz LWQNECHDQUKHOW-VWPQPMDRSA-N 1 0 382.589 3.902 20 30 GHEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC001258230011 1044478770 /nfs/dbraw/zinc/47/87/70/1044478770.db2.gz XFVRWIFYIPHQGG-ITTUMRLJSA-N 1 0 382.589 3.852 20 30 GHEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001258229078 1044479413 /nfs/dbraw/zinc/47/94/13/1044479413.db2.gz LWQNECHDQUKHOW-ONTIZHBOSA-N 1 0 382.589 3.902 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCN(c3cccc(F)c3)CC1)CCO2 ZINC001258424165 1044558925 /nfs/dbraw/zinc/55/89/25/1044558925.db2.gz VEBAVUSIJNYESY-AUSIDOKSSA-N 1 0 388.527 3.868 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)Cc3cccnc3)C[C@@H]2c2ccccc2)C1=O ZINC001258625274 1044673392 /nfs/dbraw/zinc/67/33/92/1044673392.db2.gz QXEKVTICJBVQFM-CKUXNOBLSA-N 1 0 375.516 3.517 20 30 GHEDRO C[C@@H](Cc1cccnc1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001258625532 1044674550 /nfs/dbraw/zinc/67/45/50/1044674550.db2.gz DFAIJVANSIZAMA-RDPSFJRHSA-N 1 0 390.531 3.503 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC001462910562 1070653909 /nfs/dbraw/zinc/65/39/09/1070653909.db2.gz HZCUJRUSONGZIK-NQIIRXRSSA-N 1 0 384.545 3.919 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1C ZINC000557357418 1045502513 /nfs/dbraw/zinc/50/25/13/1045502513.db2.gz KSQCYEPYOJJLAI-FQEVSTJZSA-N 1 0 395.551 3.787 20 30 GHEDRO C=CCC1(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC001297692311 1045603548 /nfs/dbraw/zinc/60/35/48/1045603548.db2.gz NULJCYGGIWEPEP-QHCPKHFHSA-N 1 0 395.591 3.932 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001298169654 1045722076 /nfs/dbraw/zinc/72/20/76/1045722076.db2.gz FXXCBBMFPCQCLX-SFHVURJKSA-N 1 0 393.572 3.713 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCC[NH+](CC)CC ZINC001300807638 1046175763 /nfs/dbraw/zinc/17/57/63/1046175763.db2.gz BJDDGJVQHMWTSQ-HSZRJFAPSA-N 1 0 397.542 3.732 20 30 GHEDRO C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001300830011 1046198396 /nfs/dbraw/zinc/19/83/96/1046198396.db2.gz CFPWMQAGHFQNDT-AWEZNQCLSA-N 1 0 396.377 3.765 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001301087777 1046331685 /nfs/dbraw/zinc/33/16/85/1046331685.db2.gz UMJJDTPWGLRIHN-GOSISDBHSA-N 1 0 395.551 3.517 20 30 GHEDRO C=C1CCN(c2nnc(COCC)n2C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC001301095107 1046337570 /nfs/dbraw/zinc/33/75/70/1046337570.db2.gz BSDKAMGZYRNFAK-OAQYLSRUSA-N 1 0 395.551 3.808 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301096147 1046338192 /nfs/dbraw/zinc/33/81/92/1046338192.db2.gz ZGDMPYMEMQSMAP-SFHVURJKSA-N 1 0 399.514 3.637 20 30 GHEDRO C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301096146 1046338449 /nfs/dbraw/zinc/33/84/49/1046338449.db2.gz ZGDMPYMEMQSMAP-GOSISDBHSA-N 1 0 399.514 3.637 20 30 GHEDRO C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001301176996 1046388533 /nfs/dbraw/zinc/38/85/33/1046388533.db2.gz OIUDBKHHIDVUIQ-UHFFFAOYSA-N 1 0 392.551 3.951 20 30 GHEDRO C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001301215471 1046408758 /nfs/dbraw/zinc/40/87/58/1046408758.db2.gz YUIYZNWAGZVAKP-LJQANCHMSA-N 1 0 395.551 3.985 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1CC[NH+](CC)CC1 ZINC001301280872 1046450387 /nfs/dbraw/zinc/45/03/87/1046450387.db2.gz YPNBWWOAHOCBJC-UHFFFAOYSA-N 1 0 378.524 3.561 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001301281068 1046450503 /nfs/dbraw/zinc/45/05/03/1046450503.db2.gz AKJUMFAEPPCHIP-SFHVURJKSA-N 1 0 383.540 3.840 20 30 GHEDRO C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1([NH+](C)C)CCC1 ZINC001301290139 1046457733 /nfs/dbraw/zinc/45/77/33/1046457733.db2.gz YMMYMXDVUGXLJI-UHFFFAOYSA-N 1 0 392.507 3.707 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[NH+]1CCCC1 ZINC001301309927 1046472257 /nfs/dbraw/zinc/47/22/57/1046472257.db2.gz ISHILVVCUZSIEM-UHFFFAOYSA-N 1 0 391.972 3.942 20 30 GHEDRO C=CCn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C1(C#N)CCCCC1 ZINC001262993336 1046476861 /nfs/dbraw/zinc/47/68/61/1046476861.db2.gz ZSJZUVJFSOYHFE-LJQANCHMSA-N 1 0 382.556 3.502 20 30 GHEDRO C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C[N@@H+](C)CC)c1)C1CC1 ZINC001301323566 1046486212 /nfs/dbraw/zinc/48/62/12/1046486212.db2.gz KMXAJNPADYTBCZ-UHFFFAOYSA-N 1 0 390.535 3.928 20 30 GHEDRO C=CCN(c1nnc(Cc2ccsc2)n1CCC[NH+]1CCCCC1)C1CC1 ZINC001301329453 1046491662 /nfs/dbraw/zinc/49/16/62/1046491662.db2.gz ICZBXOVNIOKXGQ-UHFFFAOYSA-N 1 0 385.581 3.961 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001263283364 1046676802 /nfs/dbraw/zinc/67/68/02/1046676802.db2.gz YFBXCUWFWBTBCE-UHFFFAOYSA-N 1 0 384.528 3.662 20 30 GHEDRO C=C(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001263327361 1046715078 /nfs/dbraw/zinc/71/50/78/1046715078.db2.gz LGCGEJYQGKPHCX-UHFFFAOYSA-N 1 0 394.523 3.831 20 30 GHEDRO C[C@H](Cn1c(CC2CCCC2)nnc1N(C)C[C@H](C)C#N)[NH+]1CCC(C)CC1 ZINC001301971636 1046769021 /nfs/dbraw/zinc/76/90/21/1046769021.db2.gz ONEJBWDFWPEKMP-RTBURBONSA-N 1 0 386.588 3.727 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCCC#N)n2Cc2cccs2)C[C@@H]1C ZINC001263490477 1046894796 /nfs/dbraw/zinc/89/47/96/1046894796.db2.gz SZIPJDPBNJIRTM-DLBZAZTESA-N 1 0 386.569 3.543 20 30 GHEDRO C=CCC[C@H]1CCCN1c1nnc([C@@H]2CCC[N@@H+](C)C2)n1C[C@H]1CCCCO1 ZINC001263601462 1046986262 /nfs/dbraw/zinc/98/62/62/1046986262.db2.gz ZDXCIOVGYNFPTO-HSALFYBXSA-N 1 0 387.572 3.591 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CC[N@H+](C)C1CCCC1 ZINC001304546085 1047708890 /nfs/dbraw/zinc/70/88/90/1047708890.db2.gz CSQKWMOISPZCEX-GOSISDBHSA-N 1 0 394.567 3.648 20 30 GHEDRO N#Cc1ccc(CN2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c(Br)c1 ZINC001279395605 1047792731 /nfs/dbraw/zinc/79/27/31/1047792731.db2.gz JIYHMNNNLRQFFX-UHFFFAOYSA-N 1 0 399.336 3.747 20 30 GHEDRO N#Cc1ccc(Br)cc1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001279460339 1047816385 /nfs/dbraw/zinc/81/63/85/1047816385.db2.gz SUFZUFBJZITQCQ-ROUUACIJSA-N 1 0 388.309 3.552 20 30 GHEDRO C[C@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001305066779 1047870657 /nfs/dbraw/zinc/87/06/57/1047870657.db2.gz OIVHWWRUWUKWEQ-XMSQKQJNSA-N 1 0 386.588 3.826 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)CC1)C[NH+]1CCCC1 ZINC001305073661 1047875264 /nfs/dbraw/zinc/87/52/64/1047875264.db2.gz LCLLUOCRYISSPW-IBGZPJMESA-N 1 0 392.551 3.785 20 30 GHEDRO C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001305081681 1047883135 /nfs/dbraw/zinc/88/31/35/1047883135.db2.gz XIWNLYKDLSDJFJ-ZWKOTPCHSA-N 1 0 392.551 3.783 20 30 GHEDRO CC1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001305105133 1047904673 /nfs/dbraw/zinc/90/46/73/1047904673.db2.gz JAFQZXQUMGXTQY-JOCHJYFZSA-N 1 0 395.555 3.525 20 30 GHEDRO CC1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001305107336 1047906757 /nfs/dbraw/zinc/90/67/57/1047906757.db2.gz LKXRULDFLGODSL-UHFFFAOYSA-N 1 0 392.551 3.807 20 30 GHEDRO CC/C=C\CCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N1CC(CC#N)C1 ZINC001280236743 1048141401 /nfs/dbraw/zinc/14/14/01/1048141401.db2.gz JYNSFOKOPSVKTG-LLHWWHOWSA-N 1 0 375.582 3.693 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2cc(Cl)ccc2Cl)C3)C1 ZINC001280339554 1048194257 /nfs/dbraw/zinc/19/42/57/1048194257.db2.gz VDAKBNGLQVWAPU-CCWDJLKJSA-N 1 0 392.330 3.823 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286286919 1048256060 /nfs/dbraw/zinc/25/60/60/1048256060.db2.gz LAZBDYLSYSMKLM-PXNSSMCTSA-N 1 0 395.551 3.532 20 30 GHEDRO C#CCN(C)c1nnc(C2CC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001286372493 1048296263 /nfs/dbraw/zinc/29/62/63/1048296263.db2.gz VJGANXWKAOQFDW-UYAOXDASSA-N 1 0 377.536 3.526 20 30 GHEDRO C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001286397805 1048301623 /nfs/dbraw/zinc/30/16/23/1048301623.db2.gz PVWSMOJTDZHOGD-NRFANRHFSA-N 1 0 391.563 3.514 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001286438819 1048321537 /nfs/dbraw/zinc/32/15/37/1048321537.db2.gz GXTURCLMICZZDK-UHFFFAOYSA-N 1 0 379.552 3.699 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286519862 1048346112 /nfs/dbraw/zinc/34/61/12/1048346112.db2.gz NDIUXVVGECAOOU-SELNLUPBSA-N 1 0 394.567 3.633 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001286621193 1048392500 /nfs/dbraw/zinc/39/25/00/1048392500.db2.gz CVWQVQGDVOAAJO-INIZCTEOSA-N 1 0 377.920 3.767 20 30 GHEDRO C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001286620217 1048392743 /nfs/dbraw/zinc/39/27/43/1048392743.db2.gz HMISHFVPHTVHST-KYJSFNMBSA-N 1 0 377.964 3.997 20 30 GHEDRO C=C(Cl)Cn1c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nnc1C(C)(C)C ZINC001286635047 1048404010 /nfs/dbraw/zinc/40/40/10/1048404010.db2.gz IGQICRKDNQXFPV-KDURUIRLSA-N 1 0 399.970 3.896 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001286643656 1048407999 /nfs/dbraw/zinc/40/79/99/1048407999.db2.gz QNGZWOMIEKZQOU-FQEVSTJZSA-N 1 0 395.551 3.985 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001286644126 1048409313 /nfs/dbraw/zinc/40/93/13/1048409313.db2.gz JOQLDXNMPFGMBB-UHFFFAOYSA-N 1 0 376.508 3.540 20 30 GHEDRO C=CCCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286689260 1048450307 /nfs/dbraw/zinc/45/03/07/1048450307.db2.gz KRHLNDVHHVWCEU-RTBURBONSA-N 1 0 382.556 3.539 20 30 GHEDRO C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286709357 1048467666 /nfs/dbraw/zinc/46/76/66/1048467666.db2.gz QVQZLLDPCFCCMD-WOJBJXKFSA-N 1 0 395.551 3.519 20 30 GHEDRO C=CCCOCCn1c(CC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001286712620 1048468454 /nfs/dbraw/zinc/46/84/54/1048468454.db2.gz FBGGNTSZTZVUEX-UXHICEINSA-N 1 0 389.588 3.524 20 30 GHEDRO C=CCN(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286730295 1048487540 /nfs/dbraw/zinc/48/75/40/1048487540.db2.gz RAYWBMMKAFBFOR-HDICACEKSA-N 1 0 389.588 3.521 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1CC[N@H+](C)Cc1ccccc1)C1CC1 ZINC001286734670 1048493538 /nfs/dbraw/zinc/49/35/38/1048493538.db2.gz ZWIIIRWBBYYICS-UHFFFAOYSA-N 1 0 390.535 3.570 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001286753497 1048506050 /nfs/dbraw/zinc/50/60/50/1048506050.db2.gz DQVUPZKSDSDMGN-FQEVSTJZSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001286755051 1048507174 /nfs/dbraw/zinc/50/71/74/1048507174.db2.gz LBGAXTMTZRBEJU-FQEVSTJZSA-N 1 0 376.508 3.755 20 30 GHEDRO C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001286775665 1048521559 /nfs/dbraw/zinc/52/15/59/1048521559.db2.gz SRZJZMOOBMPHRP-TZIWHRDSSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCSCCn1c(CC2CCCC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286834302 1048540737 /nfs/dbraw/zinc/54/07/37/1048540737.db2.gz DLFZQLLSNSXLHG-UHFFFAOYSA-N 1 0 391.629 3.708 20 30 GHEDRO CC(C)(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001287022023 1048578855 /nfs/dbraw/zinc/57/88/55/1048578855.db2.gz PTUJDHPRBMRUKG-UHFFFAOYSA-N 1 0 398.599 3.871 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CCC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001306722789 1048849174 /nfs/dbraw/zinc/84/91/74/1048849174.db2.gz LCMGRCNCMZTWKJ-GHTZIAJQSA-N 1 0 388.535 3.642 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001287694415 1048892097 /nfs/dbraw/zinc/89/20/97/1048892097.db2.gz SMPAMKKDQXHFQC-PWHSHALESA-N 1 0 375.516 3.621 20 30 GHEDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001287759615 1048910053 /nfs/dbraw/zinc/91/00/53/1048910053.db2.gz IVDNGWFBLJZRBY-LEWJYISDSA-N 1 0 392.551 3.812 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001287897539 1048940074 /nfs/dbraw/zinc/94/00/74/1048940074.db2.gz SAOXRIADPATXBD-UHFFFAOYSA-N 1 0 391.523 3.512 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001287983719 1048962004 /nfs/dbraw/zinc/96/20/04/1048962004.db2.gz KHVYGJWHJIBYBH-XMSQKQJNSA-N 1 0 395.555 3.524 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNc2ncc(C#N)cc2Br)cc1 ZINC001306958261 1048979821 /nfs/dbraw/zinc/97/98/21/1048979821.db2.gz KVFMXYUJPKPWEF-UHFFFAOYSA-N 1 0 389.297 3.658 20 30 GHEDRO CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CC[NH+](CCC)CC1 ZINC001307032955 1049026603 /nfs/dbraw/zinc/02/66/03/1049026603.db2.gz GRAPPDDKRLXRIN-UHFFFAOYSA-N 1 0 380.540 3.785 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001307040796 1049034142 /nfs/dbraw/zinc/03/41/42/1049034142.db2.gz XRRMBFFXRQWVPS-JOCHJYFZSA-N 1 0 396.514 3.509 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21)[NH+](C)C ZINC001288607355 1049158495 /nfs/dbraw/zinc/15/84/95/1049158495.db2.gz PDYRDLDMMOMREZ-POAQFYNOSA-N 1 0 378.524 3.536 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC001307418129 1049256919 /nfs/dbraw/zinc/25/69/19/1049256919.db2.gz IMUCNFYEYUMYKX-UHFFFAOYSA-N 1 0 384.426 3.818 20 30 GHEDRO C#Cc1cccc(NC(=O)C[N@H+](C)CCCCCCNC(=O)OC(C)(C)C)c1 ZINC001307422600 1049261032 /nfs/dbraw/zinc/26/10/32/1049261032.db2.gz VQUXHCHRAYVWAS-UHFFFAOYSA-N 1 0 387.524 3.623 20 30 GHEDRO C[N@H+](Cc1cccc(Br)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307426761 1049264516 /nfs/dbraw/zinc/26/45/16/1049264516.db2.gz DTTDFCQVLKJVQK-IBGZPJMESA-N 1 0 398.304 3.948 20 30 GHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001307437698 1049273185 /nfs/dbraw/zinc/27/31/85/1049273185.db2.gz JKMXDFHDODKDIK-HXUWFJFHSA-N 1 0 387.524 3.652 20 30 GHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1OC ZINC001307450848 1049287365 /nfs/dbraw/zinc/28/73/65/1049287365.db2.gz OYSKWUOYTPBAKI-UXHICEINSA-N 1 0 386.536 3.936 20 30 GHEDRO N#Cc1cccc([C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001307522776 1049366980 /nfs/dbraw/zinc/36/69/80/1049366980.db2.gz CIHNQGCPUDSYDS-KMDXXIMOSA-N 1 0 375.516 3.578 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC001307613998 1049451912 /nfs/dbraw/zinc/45/19/12/1049451912.db2.gz UZEGXRHMZXQNMC-HXUWFJFHSA-N 1 0 399.441 3.971 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001289531336 1049526318 /nfs/dbraw/zinc/52/63/18/1049526318.db2.gz KNWDWZQCCPHRQJ-KZNAEPCWSA-N 1 0 398.555 3.810 20 30 GHEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC001307789899 1049594135 /nfs/dbraw/zinc/59/41/35/1049594135.db2.gz UIPSHLDHYPYWJE-PXNSSMCTSA-N 1 0 385.305 3.919 20 30 GHEDRO O=C(C[N@@H+]1CCCC[C@@H]1C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307902960 1049681343 /nfs/dbraw/zinc/68/13/43/1049681343.db2.gz ICPCIFNTWCLBLW-LJQANCHMSA-N 1 0 378.438 3.828 20 30 GHEDRO O=C(C[N@@H+]1CCCC[C@H]1C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307902959 1049681852 /nfs/dbraw/zinc/68/18/52/1049681852.db2.gz ICPCIFNTWCLBLW-IBGZPJMESA-N 1 0 378.438 3.828 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCC[NH+]1CCCCC1 ZINC001290145228 1049745356 /nfs/dbraw/zinc/74/53/56/1049745356.db2.gz IGWIHOWTIUORJJ-HXUWFJFHSA-N 1 0 394.567 3.792 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001308084350 1049829978 /nfs/dbraw/zinc/82/99/78/1049829978.db2.gz RXWPEPOHMVRDIK-INIZCTEOSA-N 1 0 383.517 3.770 20 30 GHEDRO C[C@H]1CN([C@H](C[NH2+]Cc2csc(C#N)c2)c2c(F)cccc2Cl)CCO1 ZINC001308202848 1049911224 /nfs/dbraw/zinc/91/12/24/1049911224.db2.gz LGLHVKNQKDLIJT-SCLBCKFNSA-N 1 0 393.915 3.964 20 30 GHEDRO Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001290768620 1049919847 /nfs/dbraw/zinc/91/98/47/1049919847.db2.gz FHBOVTRHOYMDSI-IEBWSBKVSA-N 1 0 398.580 3.861 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)ccc1OC ZINC001308376635 1049961906 /nfs/dbraw/zinc/96/19/06/1049961906.db2.gz QDYGRKHARCKQCV-IEBWSBKVSA-N 1 0 390.524 3.997 20 30 GHEDRO C[C@@H]1C[C@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001290998933 1049967070 /nfs/dbraw/zinc/96/70/70/1049967070.db2.gz IHRIJXWXSDHNDX-HDICACEKSA-N 1 0 394.567 3.887 20 30 GHEDRO CN(C)c1cc(F)c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC001308644710 1050045366 /nfs/dbraw/zinc/04/53/66/1050045366.db2.gz CVCAKUCPQFDYJM-UHFFFAOYSA-N 1 0 384.474 3.610 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001308823412 1050107972 /nfs/dbraw/zinc/10/79/72/1050107972.db2.gz CSDKBNXLDMZQBB-OKZBNKHCSA-N 1 0 391.537 3.514 20 30 GHEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308851443 1050123825 /nfs/dbraw/zinc/12/38/25/1050123825.db2.gz LUTVOQGOEYPALA-SIKLNZKXSA-N 1 0 387.524 3.561 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)C1 ZINC001308865586 1050129897 /nfs/dbraw/zinc/12/98/97/1050129897.db2.gz XYQGPXUXWGGKSF-IRQNMHNUSA-N 1 0 381.907 3.759 20 30 GHEDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c(C#N)c1 ZINC001309044280 1050297332 /nfs/dbraw/zinc/29/73/32/1050297332.db2.gz UHEYKIGDSNIGEB-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccccc3C#N)cc2)C1 ZINC001309062983 1050315129 /nfs/dbraw/zinc/31/51/29/1050315129.db2.gz BXXLKGZWKBKOEU-ROUUACIJSA-N 1 0 397.544 3.515 20 30 GHEDRO C=CCOc1c(Cl)cc(CN2CCC([NH2+]C3CCOCC3)CC2)cc1OC ZINC001332024549 1051440377 /nfs/dbraw/zinc/44/03/77/1051440377.db2.gz INDPFRCGZQEIPN-UHFFFAOYSA-N 1 0 394.943 3.646 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001332343418 1051504129 /nfs/dbraw/zinc/50/41/29/1051504129.db2.gz JHDBWVICJQZGOD-HOTGVXAUSA-N 1 0 376.501 3.801 20 30 GHEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2scc(C(C)(C)C)c2C#N)CCCO1 ZINC001310783419 1051587828 /nfs/dbraw/zinc/58/78/28/1051587828.db2.gz KHKVMSFTZPCUPF-AWEZNQCLSA-N 1 0 378.542 3.540 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[NH+](CC)CC)cc1 ZINC001311215292 1051946128 /nfs/dbraw/zinc/94/61/28/1051946128.db2.gz HSCYPNANQBFWKX-DLBZAZTESA-N 1 0 384.446 3.776 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H](CC#N)C(F)(F)F)C1 ZINC001311216356 1051946949 /nfs/dbraw/zinc/94/69/49/1051946949.db2.gz IEOTTZDDEWCZAL-RKVPGOIHSA-N 1 0 396.457 3.808 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)cc21 ZINC001311252606 1051969459 /nfs/dbraw/zinc/96/94/59/1051969459.db2.gz RHODNRFZZATSCB-HXUWFJFHSA-N 1 0 377.492 3.517 20 30 GHEDRO N#C[C@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC12CCCC2 ZINC001335229354 1052055535 /nfs/dbraw/zinc/05/55/35/1052055535.db2.gz WGWPAKUVANPRBE-WHLIWEHUSA-N 1 0 377.532 3.877 20 30 GHEDRO N#C[C@]1(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC12CCCC2 ZINC001335229355 1052055798 /nfs/dbraw/zinc/05/57/98/1052055798.db2.gz WGWPAKUVANPRBE-XBJMDHIQSA-N 1 0 377.532 3.877 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCOc2c(F)cccc21)C(C)C ZINC001311387991 1052080283 /nfs/dbraw/zinc/08/02/83/1052080283.db2.gz KNGMSAAFNSDKGL-OALUTQOASA-N 1 0 375.488 3.647 20 30 GHEDRO N#CCc1ccsc1C(=O)Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC001335481677 1052113123 /nfs/dbraw/zinc/11/31/23/1052113123.db2.gz CZKRYCHSTNMVMD-UHFFFAOYSA-N 1 0 379.489 3.929 20 30 GHEDRO C#CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCCc2ccccc21 ZINC001311642930 1052295473 /nfs/dbraw/zinc/29/54/73/1052295473.db2.gz AUZBTPNQASNBIY-VWNXMTODSA-N 1 0 389.543 3.882 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001312163983 1052608831 /nfs/dbraw/zinc/60/88/31/1052608831.db2.gz ILTJREMLTXVCMZ-DENIHFKCSA-N 1 0 391.515 3.551 20 30 GHEDRO CSc1ccc(CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC001312190800 1052627161 /nfs/dbraw/zinc/62/71/61/1052627161.db2.gz JKRAJWZHGPISMM-QGZVFWFLSA-N 1 0 396.560 3.990 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001312252950 1052662315 /nfs/dbraw/zinc/66/23/15/1052662315.db2.gz LBTDSOWFBZELLC-NDXORKPFSA-N 1 0 381.907 3.977 20 30 GHEDRO N#CCc1ccc(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC001312922077 1052911564 /nfs/dbraw/zinc/91/15/64/1052911564.db2.gz WHDZLLZAONOWAR-UHFFFAOYSA-N 1 0 398.510 3.933 20 30 GHEDRO C=CCn1c(CSc2ccccc2O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001342298599 1053086554 /nfs/dbraw/zinc/08/65/54/1053086554.db2.gz KBLKPXGPWXVIMS-QGZVFWFLSA-N 1 0 399.564 3.527 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC[C@H](CC(F)(F)F)C1 ZINC001342356237 1053125745 /nfs/dbraw/zinc/12/57/45/1053125745.db2.gz VVJJEPSBYRGAHP-CVEARBPZSA-N 1 0 385.478 3.832 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001342372304 1053134473 /nfs/dbraw/zinc/13/44/73/1053134473.db2.gz JIVPWWBVDCQYAA-INIZCTEOSA-N 1 0 393.626 3.788 20 30 GHEDRO C=CCn1c(-c2ccc3n[nH]cc3c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001342413086 1053156212 /nfs/dbraw/zinc/15/62/12/1053156212.db2.gz ALLTZSIWURWSRR-UHFFFAOYSA-N 1 0 393.539 3.564 20 30 GHEDRO C=CCn1c([C@H](OC)c2cccs2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342467695 1053185605 /nfs/dbraw/zinc/18/56/05/1053185605.db2.gz QPDMOWQSQJADEE-GOSISDBHSA-N 1 0 389.569 3.572 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1C(C)(C)C ZINC001313913590 1053287352 /nfs/dbraw/zinc/28/73/52/1053287352.db2.gz KTUPXXYCKWFSFR-FQEVSTJZSA-N 1 0 394.567 3.958 20 30 GHEDRO C=CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCOC)c1ccccc1 ZINC001342720923 1053319332 /nfs/dbraw/zinc/31/93/32/1053319332.db2.gz AJKNRWXHGCLPBO-OAQYLSRUSA-N 1 0 397.567 3.599 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCC3)CC2)nnc1C1(OCC)CCC1 ZINC001342722461 1053320531 /nfs/dbraw/zinc/32/05/31/1053320531.db2.gz PTEVNJNOSOOQGG-UHFFFAOYSA-N 1 0 387.572 3.725 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001342790557 1053357197 /nfs/dbraw/zinc/35/71/97/1053357197.db2.gz IQIYQLMOWPLACE-MRXNPFEDSA-N 1 0 375.467 3.545 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342826685 1053376682 /nfs/dbraw/zinc/37/66/82/1053376682.db2.gz GXPGITDWBPBWFC-SFHVURJKSA-N 1 0 375.561 3.797 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001342969329 1053466758 /nfs/dbraw/zinc/46/67/58/1053466758.db2.gz XFLSTRXLSBABAO-HXUWFJFHSA-N 1 0 392.551 3.657 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(N2CC[C@](F)(C#N)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314652057 1053550972 /nfs/dbraw/zinc/55/09/72/1053550972.db2.gz CCZHXXIBDNXOAX-UWJYYQICSA-N 1 0 390.551 3.528 20 30 GHEDRO CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCC[NH+]1CCCCC1 ZINC001314741235 1053583186 /nfs/dbraw/zinc/58/31/86/1053583186.db2.gz MCENXSBEYOYIEN-UHFFFAOYSA-N 1 0 392.551 3.615 20 30 GHEDRO CN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314787516 1053611771 /nfs/dbraw/zinc/61/17/71/1053611771.db2.gz MGMVJDVIOONMEA-HXUWFJFHSA-N 1 0 392.551 3.783 20 30 GHEDRO N#C[C@H]1CC[C@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC001343401355 1053751249 /nfs/dbraw/zinc/75/12/49/1053751249.db2.gz WPIFKUNYBABRIJ-INDMIFKZSA-N 1 0 381.501 3.594 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1cccs1 ZINC001343549668 1053867252 /nfs/dbraw/zinc/86/72/52/1053867252.db2.gz VTNQXALVJWKACJ-QGZVFWFLSA-N 1 0 398.580 3.501 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(CC#N)c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001343564174 1053886205 /nfs/dbraw/zinc/88/62/05/1053886205.db2.gz SVUBTXZNXSIWRW-UHFFFAOYSA-N 1 0 392.551 3.898 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001343787903 1054028912 /nfs/dbraw/zinc/02/89/12/1054028912.db2.gz VGEGKUFIKLRLOE-AQNXPRMDSA-N 1 0 387.572 3.591 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2CC(C)C)CC1 ZINC001345048786 1054871097 /nfs/dbraw/zinc/87/10/97/1054871097.db2.gz AOLQRDFWAGWUSV-HSZRJFAPSA-N 1 0 398.599 3.970 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001318823514 1054900693 /nfs/dbraw/zinc/90/06/93/1054900693.db2.gz PAWAEIXOAQEECF-UHFFFAOYSA-N 1 0 395.478 3.886 20 30 GHEDRO CC(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nnc1C1(C#N)CCCCC1 ZINC001345160547 1054923654 /nfs/dbraw/zinc/92/36/54/1054923654.db2.gz BXVKTGZMPGDIOH-ZCNNSNEGSA-N 1 0 398.599 3.826 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C3CCCC3)n2C[C@@H]2CCOC2)CC1 ZINC001345220680 1054946055 /nfs/dbraw/zinc/94/60/55/1054946055.db2.gz SZDDSURNLQPFRB-FPOVZHCZSA-N 1 0 399.583 3.941 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC#N)c2)cc1Cn1cccn1 ZINC001319896387 1055528047 /nfs/dbraw/zinc/52/80/47/1055528047.db2.gz PIUBBOFOGZTGHD-QGZVFWFLSA-N 1 0 376.460 3.693 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001320043025 1055617942 /nfs/dbraw/zinc/61/79/42/1055617942.db2.gz ZUSSTKQJVZKTRA-QGZVFWFLSA-N 1 0 383.517 3.928 20 30 GHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)o2)c1 ZINC001320050530 1055622381 /nfs/dbraw/zinc/62/23/81/1055622381.db2.gz GXLKKISLZCXSEE-KRWDZBQOSA-N 1 0 384.443 3.864 20 30 GHEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001320305775 1055745937 /nfs/dbraw/zinc/74/59/37/1055745937.db2.gz FULIBQDNSMDUBM-CDMIOBSGSA-N 1 0 388.508 3.680 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CC(C)(C)C#N)n2Cc2ccccc2)[C@H](C)C1 ZINC001353940264 1056156590 /nfs/dbraw/zinc/15/65/90/1056156590.db2.gz SGRAJSROGYGUMZ-UYAOXDASSA-N 1 0 394.567 3.585 20 30 GHEDRO C#CCN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300465441 1056192632 /nfs/dbraw/zinc/19/26/32/1056192632.db2.gz NEJUJYTYNGXWSW-HXUWFJFHSA-N 1 0 379.552 3.601 20 30 GHEDRO C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300469963 1056208037 /nfs/dbraw/zinc/20/80/37/1056208037.db2.gz FJDXCWJDZNMICD-NRFANRHFSA-N 1 0 393.579 3.643 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CC[NH+](C(C)C)C(C)C ZINC001300572676 1056513004 /nfs/dbraw/zinc/51/30/04/1056513004.db2.gz ZYWPCRPEGHNTSH-UHFFFAOYSA-N 1 0 395.526 3.666 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300587579 1056558314 /nfs/dbraw/zinc/55/83/14/1056558314.db2.gz QLSFOVLUCLLBNN-NRFANRHFSA-N 1 0 395.595 3.738 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001322888930 1056879098 /nfs/dbraw/zinc/87/90/98/1056879098.db2.gz IJBRZKMFFYSEPH-NHCUHLMSSA-N 1 0 383.467 3.635 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(C#N)c(Cl)n1 ZINC001354920072 1056983594 /nfs/dbraw/zinc/98/35/94/1056983594.db2.gz FUFVDTHOOBKCLP-OAHLLOKOSA-N 1 0 382.895 3.911 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300780128 1057016464 /nfs/dbraw/zinc/01/64/64/1057016464.db2.gz LDDCWVATYONVFJ-DNVFCKCGSA-N 1 0 385.600 3.936 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+](CC)CC ZINC001300789542 1057029888 /nfs/dbraw/zinc/02/98/88/1057029888.db2.gz PBIMACGCWAFTHY-HSZRJFAPSA-N 1 0 390.535 3.541 20 30 GHEDRO C[N@H+](CCc1nccc(C(F)(F)F)n1)Cc1cc(Cl)ccc1OCC#N ZINC001355086053 1057045519 /nfs/dbraw/zinc/04/55/19/1057045519.db2.gz XZIJFUXUXPRADW-UHFFFAOYSA-N 1 0 384.789 3.726 20 30 GHEDRO CC(C)[N@H+](CCc1ccccc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001324155962 1057080509 /nfs/dbraw/zinc/08/05/09/1057080509.db2.gz KSVZVXGJUFDRFW-UHFFFAOYSA-N 1 0 387.487 3.636 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(Nc3ccccc3)CC2)c(OC)c1 ZINC001324271242 1057101833 /nfs/dbraw/zinc/10/18/33/1057101833.db2.gz XRTLORIVOUHCMD-JOCHJYFZSA-N 1 0 396.531 3.740 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)cc1OC ZINC001324633769 1057184343 /nfs/dbraw/zinc/18/43/43/1057184343.db2.gz KPQGBHABXHLIOH-IBGZPJMESA-N 1 0 398.341 3.863 20 30 GHEDRO C=CCn1c([C@H](O)CCCCC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001355855832 1057294168 /nfs/dbraw/zinc/29/41/68/1057294168.db2.gz RQJYWUXBSREFET-YZGWKJHDSA-N 1 0 387.572 3.531 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC001325890057 1057381352 /nfs/dbraw/zinc/38/13/52/1057381352.db2.gz DPFSLLPRLRLVTF-OAQYLSRUSA-N 1 0 396.922 3.967 20 30 GHEDRO Cc1ccc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c(OC[C@@H]2CCCO2)c1 ZINC001326155638 1057424235 /nfs/dbraw/zinc/42/42/35/1057424235.db2.gz GEECDUANPJPEJL-NRFANRHFSA-N 1 0 393.487 3.543 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3csc(C#N)c3)c(OCC)c2)CC1 ZINC001326504335 1057499341 /nfs/dbraw/zinc/49/93/41/1057499341.db2.gz NUCSTZCNGIEKIS-UHFFFAOYSA-N 1 0 398.532 3.803 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCc4c(C#N)cccc43)cc2)CC1 ZINC001326649096 1057528612 /nfs/dbraw/zinc/52/86/12/1057528612.db2.gz ZBAUXRMXJZWZFU-UHFFFAOYSA-N 1 0 388.515 3.682 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001356577756 1057554994 /nfs/dbraw/zinc/55/49/94/1057554994.db2.gz IIOISXUFUZSVER-MTQWCTHYSA-N 1 0 382.556 3.572 20 30 GHEDRO CN(C)C(NCc1ccc(COCC(F)(F)F)cc1)=[NH+]Cc1ccccc1 ZINC000849054707 1057564306 /nfs/dbraw/zinc/56/43/06/1057564306.db2.gz PJXWDRCTMHZJIK-UHFFFAOYSA-N 1 0 379.426 3.973 20 30 GHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001337971501 1058349225 /nfs/dbraw/zinc/34/92/25/1058349225.db2.gz ZUKHWRHKBKNPBZ-IPMKNSEASA-N 1 0 385.581 3.673 20 30 GHEDRO C=C(C)c1cccc(NC(=O)C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1 ZINC001338069252 1058390146 /nfs/dbraw/zinc/39/01/46/1058390146.db2.gz RVPRCNHKMFHVLQ-UHFFFAOYSA-N 1 0 381.476 3.627 20 30 GHEDRO C[C@H]1CCc2nc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)c(C#N)cc2C1 ZINC001440103687 1058425615 /nfs/dbraw/zinc/42/56/15/1058425615.db2.gz QOXVDZBOBCDOTL-HKUYNNGSSA-N 1 0 388.515 3.929 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC001440381218 1058508095 /nfs/dbraw/zinc/50/80/95/1058508095.db2.gz ZTWISACPPANJTH-QHCPKHFHSA-N 1 0 392.499 3.664 20 30 GHEDRO Cn1c(CCCCC#N)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001338863439 1058839310 /nfs/dbraw/zinc/83/93/10/1058839310.db2.gz GQCAJJIYHRXOOA-UHFFFAOYSA-N 1 0 392.551 3.544 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001338867971 1058842958 /nfs/dbraw/zinc/84/29/58/1058842958.db2.gz QYRXBDNKUIKMDI-RTBURBONSA-N 1 0 378.524 3.582 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 ZINC001441824491 1058872192 /nfs/dbraw/zinc/87/21/92/1058872192.db2.gz OSLQZSZFQYEWMT-HNNXBMFYSA-N 1 0 377.916 3.801 20 30 GHEDRO C=CCn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001338995536 1058917655 /nfs/dbraw/zinc/91/76/55/1058917655.db2.gz QZUWVERGHNNAFP-UYAOXDASSA-N 1 0 383.540 3.520 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339022648 1058927343 /nfs/dbraw/zinc/92/73/43/1058927343.db2.gz SBOWYSPMYXHELE-HXUWFJFHSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CCC2(CCC2)C1 ZINC001339023267 1058928101 /nfs/dbraw/zinc/92/81/01/1058928101.db2.gz LAMFTBKJAHWIAD-UXHICEINSA-N 1 0 377.536 3.657 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC001339040982 1058935249 /nfs/dbraw/zinc/93/52/49/1058935249.db2.gz PSEDOHNPJLYMPF-MDMXATFFSA-N 1 0 399.332 3.814 20 30 GHEDRO C=CCn1c(C2CC[NH+](Cc3ccccc3)CC2)nnc1N1CCC[C@@H](C#N)C1 ZINC001339057568 1058942361 /nfs/dbraw/zinc/94/23/61/1058942361.db2.gz RRZMBFARLPXXIB-FQEVSTJZSA-N 1 0 390.535 3.584 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001442372009 1058952765 /nfs/dbraw/zinc/95/27/65/1058952765.db2.gz AJUFFWDGTCQOQP-UHFFFAOYSA-N 1 0 398.506 3.957 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC001339253927 1059043552 /nfs/dbraw/zinc/04/35/52/1059043552.db2.gz NJMSRRPHNPEPNW-NRSPTQNISA-N 1 0 392.551 3.713 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(-c2cccc(F)c2)nc1C)C(C)C ZINC001443427505 1059128334 /nfs/dbraw/zinc/12/83/34/1059128334.db2.gz MJWCOMIVLPRQKQ-NRFANRHFSA-N 1 0 384.499 3.748 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)C#Cc2ccc3c(c2)OCO3)CCCC1)c1ccccc1 ZINC001444086012 1059262438 /nfs/dbraw/zinc/26/24/38/1059262438.db2.gz IITPTPVYCFLCEA-SFHVURJKSA-N 1 0 390.483 3.547 20 30 GHEDRO CCN(c1nnc([C@@H]2C[C@@H]2C#N)n1CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001339625264 1059355025 /nfs/dbraw/zinc/35/50/25/1059355025.db2.gz WFJCJYNHXDCNCI-RSPOEFSDSA-N 1 0 378.524 3.587 20 30 GHEDRO C=CCn1c([C@@H]2COc3ccccc32)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339911707 1059552841 /nfs/dbraw/zinc/55/28/41/1059552841.db2.gz VDHHMJNKCZXFEQ-HXUWFJFHSA-N 1 0 395.551 3.545 20 30 GHEDRO Cn1c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001339933405 1059566971 /nfs/dbraw/zinc/56/69/71/1059566971.db2.gz JDIQZLVSHBRREH-CVDCTZTESA-N 1 0 396.583 3.633 20 30 GHEDRO C=CCn1c(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nnc1C(C)(C)F ZINC001340466221 1059941456 /nfs/dbraw/zinc/94/14/56/1059941456.db2.gz SNEHHCQEMBBBOR-UHFFFAOYSA-N 1 0 377.430 3.522 20 30 GHEDRO C=CCn1c(N2CCC(C)([NH+]3CCCC3)CC2)nnc1C1(C#N)CCCCC1 ZINC001340756323 1060098459 /nfs/dbraw/zinc/09/84/59/1060098459.db2.gz LBYQBNQZNPXJOK-UHFFFAOYSA-N 1 0 382.556 3.644 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2cc(C#N)ccc2NC2CC2)cc1 ZINC001448356509 1060163796 /nfs/dbraw/zinc/16/37/96/1060163796.db2.gz QQXQSSWCBFDKEE-UHFFFAOYSA-N 1 0 392.503 3.644 20 30 GHEDRO C=CCCC[C@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001450061761 1060517078 /nfs/dbraw/zinc/51/70/78/1060517078.db2.gz HIFWXFFYASLHDR-RPWUZVMVSA-N 1 0 392.543 3.662 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001451331014 1060763827 /nfs/dbraw/zinc/76/38/27/1060763827.db2.gz SECJVDFNDDAUOC-QHCPKHFHSA-N 1 0 391.559 3.811 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccc(OCc2nccn2C)cc1 ZINC001341692261 1060815881 /nfs/dbraw/zinc/81/58/81/1060815881.db2.gz QJHPRFJZKIYDTA-QGZVFWFLSA-N 1 0 376.460 3.752 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3CCNc4ccccc43)CC2)c1 ZINC001342070386 1061039654 /nfs/dbraw/zinc/03/96/54/1061039654.db2.gz PYHUYTCGJKBTHD-HXUWFJFHSA-N 1 0 388.515 3.628 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+](CC)CC)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001342186482 1061114882 /nfs/dbraw/zinc/11/48/82/1061114882.db2.gz BPKJHQPPTJBGGP-QHCPKHFHSA-N 1 0 396.583 3.890 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001342210844 1061138764 /nfs/dbraw/zinc/13/87/64/1061138764.db2.gz ULCQMXGXRHGNQD-ROUUACIJSA-N 1 0 377.554 3.508 20 30 GHEDRO C[C@]12CN(C(=O)c3ncc(C#N)cc3Cl)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001454406574 1061764171 /nfs/dbraw/zinc/76/41/71/1061764171.db2.gz RRAUBFSXAITZCN-SZPZYZBQSA-N 1 0 394.906 3.591 20 30 GHEDRO C#CCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001454538327 1061823088 /nfs/dbraw/zinc/82/30/88/1061823088.db2.gz JYQHLQKTYSMECI-IBGZPJMESA-N 1 0 390.405 3.750 20 30 GHEDRO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492780130 1061918276 /nfs/dbraw/zinc/91/82/76/1061918276.db2.gz CPIFGBWRCHDOJE-QZTJIDSGSA-N 1 0 394.567 3.851 20 30 GHEDRO N#Cc1ccsc1C(=O)O[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001347296937 1062277688 /nfs/dbraw/zinc/27/76/88/1062277688.db2.gz BELPCXRIIDNIHC-IBGZPJMESA-N 1 0 396.512 3.990 20 30 GHEDRO CC(C)Cn1c(CCCCC#N)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001347587668 1062511343 /nfs/dbraw/zinc/51/13/43/1062511343.db2.gz RXJVYANLLFAUHQ-ICSRJNTNSA-N 1 0 384.572 3.624 20 30 GHEDRO CC1CCC([NH+]2CCN(C(=O)c3cccc(C#N)c3Br)CC2)CC1 ZINC001456417250 1062669034 /nfs/dbraw/zinc/66/90/34/1062669034.db2.gz HGYOMTJXRIMLFB-UHFFFAOYSA-N 1 0 390.325 3.657 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c[nH+]cn3c2)cc1C ZINC001456447507 1062688340 /nfs/dbraw/zinc/68/83/40/1062688340.db2.gz NTQHCSWGNKPWPB-UHFFFAOYSA-N 1 0 384.443 3.981 20 30 GHEDRO CCCn1ncc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C ZINC001348951605 1063437785 /nfs/dbraw/zinc/43/77/85/1063437785.db2.gz IMYPNCNENODNPE-UHFFFAOYSA-N 1 0 380.492 3.564 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC001458106455 1063569474 /nfs/dbraw/zinc/56/94/74/1063569474.db2.gz GADVZQQSZAMNBG-HOTGVXAUSA-N 1 0 382.508 3.904 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3ccc(F)cc3)[NH+](C)C)c2c1 ZINC001458117927 1063578850 /nfs/dbraw/zinc/57/88/50/1063578850.db2.gz VMKRTSIWGQKZFJ-IBGZPJMESA-N 1 0 394.450 3.978 20 30 GHEDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1nc(C(C)(C)C)ccc1C#N ZINC001458196345 1063648523 /nfs/dbraw/zinc/64/85/23/1063648523.db2.gz KDQCNMJHZHXGTK-GOSISDBHSA-N 1 0 377.536 3.873 20 30 GHEDRO Cc1cc(C#N)nc(Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)n1 ZINC001458279112 1063716768 /nfs/dbraw/zinc/71/67/68/1063716768.db2.gz RUDIYGHQJIOUIC-UHFFFAOYSA-N 1 0 398.514 3.765 20 30 GHEDRO CC(C)N(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437035253 1063745500 /nfs/dbraw/zinc/74/55/00/1063745500.db2.gz YGNDZJOYUVQGEY-KNQAVFIVSA-N 1 0 391.515 3.837 20 30 GHEDRO C[C@H]1CN(c2cc(C#N)c(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC001458384331 1063775975 /nfs/dbraw/zinc/77/59/75/1063775975.db2.gz GPNUMSQYQGWBAR-OAHLLOKOSA-N 1 0 385.309 3.674 20 30 GHEDRO CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC001350055929 1063974900 /nfs/dbraw/zinc/97/49/00/1063974900.db2.gz CORKTMQCAXCFAV-WOJBJXKFSA-N 1 0 389.503 3.598 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC001438321222 1064032696 /nfs/dbraw/zinc/03/26/96/1064032696.db2.gz FZSUKFBIPDJWTM-XLIONFOSSA-N 1 0 391.490 3.613 20 30 GHEDRO N#CC1(CC[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001459466605 1064106536 /nfs/dbraw/zinc/10/65/36/1064106536.db2.gz LDKGMGCMORTEFB-HXUWFJFHSA-N 1 0 375.944 3.855 20 30 GHEDRO N#CCC1(C[NH+]2CCC(Oc3ccccc3I)CC2)CC1 ZINC001459626918 1064148981 /nfs/dbraw/zinc/14/89/81/1064148981.db2.gz IWLPKNZLGVTLMP-UHFFFAOYSA-N 1 0 396.272 3.828 20 30 GHEDRO C#CC[C@H]([NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001459849934 1064242706 /nfs/dbraw/zinc/24/27/06/1064242706.db2.gz LXWAHGNBPURART-LADGPHEKSA-N 1 0 392.499 3.504 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459969223 1064309256 /nfs/dbraw/zinc/30/92/56/1064309256.db2.gz JAQRDETXRIVYEF-DOTOQJQBSA-N 1 0 398.425 3.783 20 30 GHEDRO N#CCCCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC1CC1 ZINC001351358893 1064402990 /nfs/dbraw/zinc/40/29/90/1064402990.db2.gz HVFJPDDHQUZWOH-UHFFFAOYSA-N 1 0 384.572 3.627 20 30 GHEDRO N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCC[N@@H+]3C3CCCC3)n2CC2CC2)C1 ZINC001351465061 1064461750 /nfs/dbraw/zinc/46/17/50/1064461750.db2.gz AJCRLUGYPFZZJW-RXVVDRJESA-N 1 0 386.519 3.600 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001351778990 1064598012 /nfs/dbraw/zinc/59/80/12/1064598012.db2.gz YEGAUNQMRCSDJM-QFIPXVFZSA-N 1 0 382.556 3.500 20 30 GHEDRO C[C@H]1CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCCCC2)O1 ZINC000847103860 1064708147 /nfs/dbraw/zinc/70/81/47/1064708147.db2.gz GKDBEUGJBFYKQU-FUHWJXTLSA-N 1 0 390.487 3.647 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000847207670 1064900957 /nfs/dbraw/zinc/90/09/57/1064900957.db2.gz ZRVVTRBECUHYJR-JYRVWZFOSA-N 1 0 389.499 3.707 20 30 GHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)ccn1 ZINC001352393670 1065014026 /nfs/dbraw/zinc/01/40/26/1065014026.db2.gz IHSDORDIHOGASW-UHFFFAOYSA-N 1 0 385.467 3.674 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)C(=O)/C=C/c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC001464581939 1065094675 /nfs/dbraw/zinc/09/46/75/1065094675.db2.gz FPZDUJLUIPGCIP-CDDKBXLESA-N 1 0 380.463 3.670 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1c2ccccc2C(=O)OC1(C)C)C(C)C ZINC001464872612 1065254549 /nfs/dbraw/zinc/25/45/49/1065254549.db2.gz SGEUMXJOJDAGII-WOJBJXKFSA-N 1 0 384.520 3.534 20 30 GHEDRO C=C(C)CN1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)CC1 ZINC001200127369 1065286522 /nfs/dbraw/zinc/28/65/22/1065286522.db2.gz SASCOHFXJBXFRK-UHFFFAOYSA-N 1 0 389.341 3.969 20 30 GHEDRO CCCCCCCCCCNC(=S)NC1(C(=O)OCC)CC[NH+](C)CC1 ZINC001200217749 1065617644 /nfs/dbraw/zinc/61/76/44/1065617644.db2.gz UJBPXLZVYLHMKE-UHFFFAOYSA-N 1 0 385.618 3.619 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)CC1 ZINC001353276798 1065826921 /nfs/dbraw/zinc/82/69/21/1065826921.db2.gz UNSOZMXVMSBAHV-SFHVURJKSA-N 1 0 387.572 3.568 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001300275487 1065905433 /nfs/dbraw/zinc/90/54/33/1065905433.db2.gz VIIRHTOPWPADED-CNNODRBYSA-N 1 0 391.563 3.762 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001300302636 1065957090 /nfs/dbraw/zinc/95/70/90/1065957090.db2.gz DAHJLFYFXVMVHF-OXQOHEQNSA-N 1 0 383.515 3.836 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[NH+](CC)CC ZINC001300313168 1065972298 /nfs/dbraw/zinc/97/22/98/1065972298.db2.gz CKAVIKJQUFZSDC-QGZVFWFLSA-N 1 0 387.959 3.712 20 30 GHEDRO COCc1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847745529 1066010822 /nfs/dbraw/zinc/01/08/22/1066010822.db2.gz JUOCNZHLYHHADK-UHFFFAOYSA-N 1 0 378.472 3.796 20 30 GHEDRO CC(C)Cn1nccc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746419 1066015949 /nfs/dbraw/zinc/01/59/49/1066015949.db2.gz HNDNDJAJEDRIPJ-UHFFFAOYSA-N 1 0 380.492 3.502 20 30 GHEDRO C/C(=C/c1ccccn1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747160 1066024563 /nfs/dbraw/zinc/02/45/63/1066024563.db2.gz LSOYHPFGPPNUSU-CYVLTUHYSA-N 1 0 375.472 3.834 20 30 GHEDRO C/C(=C/c1cccnc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747044 1066026678 /nfs/dbraw/zinc/02/66/78/1066026678.db2.gz JSFNVSSSHHEPRA-RGEXLXHISA-N 1 0 375.472 3.834 20 30 GHEDRO Cc1cc2c[nH]nc2c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847748531 1066029145 /nfs/dbraw/zinc/02/91/45/1066029145.db2.gz BVQVTWOWIIRXJJ-UHFFFAOYSA-N 1 0 388.471 3.834 20 30 GHEDRO CO[C@@H]1CCC[C@@H](CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847747710 1066034061 /nfs/dbraw/zinc/03/40/61/1066034061.db2.gz OEMKINYULCHABF-NHCUHLMSSA-N 1 0 384.520 3.931 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H](C)CC[NH+](CC)CC)cnn1-c1cccc(C#N)c1 ZINC001466216313 1066040484 /nfs/dbraw/zinc/04/04/84/1066040484.db2.gz PCHUAEWLCIPQEJ-KRWDZBQOSA-N 1 0 396.539 3.938 20 30 GHEDRO C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001300348027 1066064631 /nfs/dbraw/zinc/06/46/31/1066064631.db2.gz HKRHKACOHZZXMS-UHFFFAOYSA-N 1 0 381.524 3.715 20 30 GHEDRO C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300353909 1066082660 /nfs/dbraw/zinc/08/26/60/1066082660.db2.gz QZCXPIIOCLJRLS-UHFFFAOYSA-N 1 0 396.583 3.644 20 30 GHEDRO C#Cc1ccc(C(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cc1 ZINC001466496993 1066172674 /nfs/dbraw/zinc/17/26/74/1066172674.db2.gz JTYRINXQRUJITH-WOJBJXKFSA-N 1 0 390.527 3.607 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467192386 1067139178 /nfs/dbraw/zinc/13/91/78/1067139178.db2.gz GXMVKDOYJUFTGQ-JTOWHCCKSA-N 1 0 396.457 3.827 20 30 GHEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC001357890848 1067321573 /nfs/dbraw/zinc/32/15/73/1067321573.db2.gz HKKUNHBRFICYHJ-LJQANCHMSA-N 1 0 394.519 3.542 20 30 GHEDRO CCCN(C(=O)COc1ccccc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357959573 1067346793 /nfs/dbraw/zinc/34/67/93/1067346793.db2.gz LGLROMVDSJKJBL-JOCHJYFZSA-N 1 0 391.515 3.840 20 30 GHEDRO C=C[C@H](O)c1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1CC(C)C ZINC001358067363 1067385863 /nfs/dbraw/zinc/38/58/63/1067385863.db2.gz QQVIALYOBNXJFX-NRFANRHFSA-N 1 0 397.567 3.502 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)C(C)C ZINC001467660343 1067404755 /nfs/dbraw/zinc/40/47/55/1067404755.db2.gz NPBKWGPAKMZDPC-MXEMCNAFSA-N 1 0 387.955 3.976 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)cc1 ZINC001473430587 1067558107 /nfs/dbraw/zinc/55/81/07/1067558107.db2.gz IVYPLHOHPCTXMB-HXUWFJFHSA-N 1 0 399.535 3.670 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001358878319 1067591481 /nfs/dbraw/zinc/59/14/81/1067591481.db2.gz VANFZXOYPAHXBV-QZTJIDSGSA-N 1 0 391.519 3.881 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CC1([NH+](C)C)CCCCC1 ZINC001358882759 1067594301 /nfs/dbraw/zinc/59/43/01/1067594301.db2.gz HHZIOYDKRPHBGX-LJQANCHMSA-N 1 0 379.552 3.976 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCCCC[NH+]1CCCC1 ZINC001358883152 1067594871 /nfs/dbraw/zinc/59/48/71/1067594871.db2.gz OSCROCCRIBFJCZ-IBGZPJMESA-N 1 0 395.551 3.678 20 30 GHEDRO C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001358931327 1067618175 /nfs/dbraw/zinc/61/81/75/1067618175.db2.gz XGJUEEBGJXOJCX-HXUWFJFHSA-N 1 0 397.542 3.590 20 30 GHEDRO C#CCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001358932680 1067618721 /nfs/dbraw/zinc/61/87/21/1067618721.db2.gz SMGLOQVEYVKAIZ-HXUWFJFHSA-N 1 0 397.592 3.656 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001358939078 1067621253 /nfs/dbraw/zinc/62/12/53/1067621253.db2.gz POAQKKSRDMTGFK-QGZVFWFLSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001358950691 1067627748 /nfs/dbraw/zinc/62/77/48/1067627748.db2.gz VJCIXZBWLTTYPU-SFHVURJKSA-N 1 0 399.970 3.856 20 30 GHEDRO C#CCN(C)c1nnc(CC2CCCC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358952007 1067628338 /nfs/dbraw/zinc/62/83/38/1067628338.db2.gz USENYVGTTBZJDI-LJQANCHMSA-N 1 0 397.592 3.979 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001359000915 1067643587 /nfs/dbraw/zinc/64/35/87/1067643587.db2.gz HEAWZKNGPRARIH-PZJWPPBQSA-N 1 0 379.552 3.621 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCCCC[NH+]1CCCC1 ZINC001359068155 1067669044 /nfs/dbraw/zinc/66/90/44/1067669044.db2.gz QFXVNKARAUBCOF-HSZRJFAPSA-N 1 0 392.551 3.598 20 30 GHEDRO C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359134143 1067702277 /nfs/dbraw/zinc/70/22/77/1067702277.db2.gz LMMDZGPTTLRNOB-LJQANCHMSA-N 1 0 389.588 3.524 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001359161701 1067717777 /nfs/dbraw/zinc/71/77/77/1067717777.db2.gz NRQRORBAIOUPLW-IBGZPJMESA-N 1 0 399.539 3.504 20 30 GHEDRO C=C1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001359166806 1067720661 /nfs/dbraw/zinc/72/06/61/1067720661.db2.gz IJBAHQXLBRUZKL-UHFFFAOYSA-N 1 0 396.583 3.929 20 30 GHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1c(F)cc(F)c(F)c1F ZINC000849097659 1067726186 /nfs/dbraw/zinc/72/61/86/1067726186.db2.gz XGKLMDAPTWHGFY-UHFFFAOYSA-N 1 0 395.278 3.956 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359242288 1067852854 /nfs/dbraw/zinc/85/28/54/1067852854.db2.gz XJQRRAVPEXRNQV-IBGZPJMESA-N 1 0 399.558 3.998 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001468843340 1067907608 /nfs/dbraw/zinc/90/76/08/1067907608.db2.gz PCTJAPGPVJWWJH-RXVVDRJESA-N 1 0 379.504 3.714 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001359254339 1067909905 /nfs/dbraw/zinc/90/99/05/1067909905.db2.gz NIODBLSZQRHPMU-NRFANRHFSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359312991 1068027405 /nfs/dbraw/zinc/02/74/05/1068027405.db2.gz FHBLWTLLRGRLSK-OALUTQOASA-N 1 0 389.588 3.695 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC001469657763 1068289906 /nfs/dbraw/zinc/28/99/06/1068289906.db2.gz HREJBMBCWVGJQM-KRWDZBQOSA-N 1 0 381.561 3.569 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC=CCC2)C1 ZINC001360140223 1068383854 /nfs/dbraw/zinc/38/38/54/1068383854.db2.gz ZPIAGTPEUAIGAC-HXUWFJFHSA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@@H](CCn1c(C2CC2)nnc1N1CC[C@@](F)(C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001360509540 1068537040 /nfs/dbraw/zinc/53/70/40/1068537040.db2.gz UWMAKWXPGFXALS-HTAPYJJXSA-N 1 0 396.514 3.508 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)c1ccco1 ZINC001470134030 1068589730 /nfs/dbraw/zinc/58/97/30/1068589730.db2.gz LVUQYBYTKZMOFW-JXFKEZNVSA-N 1 0 380.492 3.543 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)c1ccco1 ZINC001470134031 1068590217 /nfs/dbraw/zinc/59/02/17/1068590217.db2.gz LVUQYBYTKZMOFW-OXJNMPFZSA-N 1 0 380.492 3.543 20 30 GHEDRO C=C(C)COCCNC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001478181412 1078755929 /nfs/dbraw/zinc/75/59/29/1078755929.db2.gz ZWWWZKPKIOBXHE-UHFFFAOYSA-N 1 0 385.552 3.809 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001460130736 1068799922 /nfs/dbraw/zinc/79/99/22/1068799922.db2.gz JOAMFNWMGZFRTR-VXKWHMMOSA-N 1 0 384.545 3.796 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC001460638693 1069048161 /nfs/dbraw/zinc/04/81/61/1069048161.db2.gz OXVYGGGGGFMDKF-UHFFFAOYSA-N 1 0 375.394 3.822 20 30 GHEDRO COc1ccc(C#N)cc1CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001460642580 1069051343 /nfs/dbraw/zinc/05/13/43/1069051343.db2.gz QIJXGEYNOCEJGM-PSWAGMNNSA-N 1 0 375.516 3.911 20 30 GHEDRO C#CC[N@@H+](CCCON1C(=O)c2ccccc2C1=O)[C@@H]1CCCc2ccccc21 ZINC001460835258 1069209987 /nfs/dbraw/zinc/20/99/87/1069209987.db2.gz JSTHLRANKDNUPX-JOCHJYFZSA-N 1 0 388.467 3.617 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC001460912154 1069268601 /nfs/dbraw/zinc/26/86/01/1069268601.db2.gz YVYZEZNGZHQCOF-AVRDEDQJSA-N 1 0 385.508 3.706 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1C#N ZINC001478539108 1078910081 /nfs/dbraw/zinc/91/00/81/1078910081.db2.gz ZAXMVWPIPBPFHS-LJQANCHMSA-N 1 0 386.565 3.876 20 30 GHEDRO CC(C)(C)c1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC001470671891 1072680036 /nfs/dbraw/zinc/68/00/36/1072680036.db2.gz LJZBLJBUFWOXLM-UHFFFAOYSA-N 1 0 394.519 3.913 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)Cc1cc(C#N)cs1 ZINC001471043209 1072900364 /nfs/dbraw/zinc/90/03/64/1072900364.db2.gz NPTPFPFSNHQDNQ-APWZRJJASA-N 1 0 382.533 3.529 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001472713618 1073630987 /nfs/dbraw/zinc/63/09/87/1073630987.db2.gz OQPVFFKOMBPQND-JOCHJYFZSA-N 1 0 391.475 3.541 20 30 GHEDRO C=CCn1c(SCC[NH+]2CCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001472907523 1073721388 /nfs/dbraw/zinc/72/13/88/1073721388.db2.gz FHFQJVBILCTWSS-AWEZNQCLSA-N 1 0 389.590 3.957 20 30 GHEDRO C=CC[N@@H+](CCCN1CCN(c2ccccc2)CC1)Cc1ccc(OC)cc1 ZINC001473114583 1073786947 /nfs/dbraw/zinc/78/69/47/1073786947.db2.gz FBQCZOPPZBGFDZ-UHFFFAOYSA-N 1 0 379.548 3.896 20 30 GHEDRO C=CCN1CC[C@@H](N(CC[NH+](CC)CC)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC001473209737 1073861404 /nfs/dbraw/zinc/86/14/04/1073861404.db2.gz DTEXUQYLAVPHLF-LJQANCHMSA-N 1 0 398.378 3.924 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1)cc2=O ZINC001473321364 1073919738 /nfs/dbraw/zinc/91/97/38/1073919738.db2.gz QNOZYRFIMUGVNS-NRFANRHFSA-N 1 0 383.455 3.770 20 30 GHEDRO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001473380360 1073941969 /nfs/dbraw/zinc/94/19/69/1073941969.db2.gz HCDPAJADNZPVIC-XMMPIXPASA-N 1 0 392.499 3.968 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC(C)(C)OC[C@@H]3C)sc2C1 ZINC001473445958 1073966446 /nfs/dbraw/zinc/96/64/46/1073966446.db2.gz DHMBOHCCWVAJEF-KBPBESRZSA-N 1 0 375.538 3.572 20 30 GHEDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1OC ZINC001473449079 1073968088 /nfs/dbraw/zinc/96/80/88/1073968088.db2.gz WJEMDDKOJGYDJD-IAGOWNOFSA-N 1 0 375.538 3.620 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC001473551780 1074013067 /nfs/dbraw/zinc/01/30/67/1074013067.db2.gz SYKAAWLCIYQWSK-FGZHOGPDSA-N 1 0 389.499 3.974 20 30 GHEDRO CCCN(C)CC(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001473665920 1074074552 /nfs/dbraw/zinc/07/45/52/1074074552.db2.gz FVSPHAKCLAAVOL-HNNXBMFYSA-N 1 0 390.597 3.783 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC001473684455 1074084606 /nfs/dbraw/zinc/08/46/06/1074084606.db2.gz BFSDRMRZRNOUTK-HZPDHXFCSA-N 1 0 392.459 3.828 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1OCC ZINC001474273737 1074320684 /nfs/dbraw/zinc/32/06/84/1074320684.db2.gz HJRUMABISYTXHU-BBRMVZONSA-N 1 0 383.330 3.595 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001474515867 1074443871 /nfs/dbraw/zinc/44/38/71/1074443871.db2.gz ASDKLTCPPPJHCH-UHFFFAOYSA-N 1 0 381.476 3.604 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C(C)(C)C ZINC001474563377 1074464339 /nfs/dbraw/zinc/46/43/39/1074464339.db2.gz NKYRKUSDVHFEGO-GOSISDBHSA-N 1 0 399.362 3.842 20 30 GHEDRO C[C@@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC2)([NH+](C)C)C1 ZINC001493511881 1079275385 /nfs/dbraw/zinc/27/53/85/1079275385.db2.gz UNGKABSLJPTYOZ-JPYJTQIMSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054190 1079320736 /nfs/dbraw/zinc/32/07/36/1079320736.db2.gz CRYJWZZKFQETNP-LJQANCHMSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]2CCCC[C@@H]21)[NH+](C)C ZINC001494235799 1079325847 /nfs/dbraw/zinc/32/58/47/1079325847.db2.gz KCGQOQNSIHKMOI-SEONNTABSA-N 1 0 392.551 3.782 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001476057059 1075076499 /nfs/dbraw/zinc/07/64/99/1075076499.db2.gz QYRAXLWSBNPXBO-JXFKEZNVSA-N 1 0 391.475 3.836 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)C1=CC[N@H+](C)CC1 ZINC001476056466 1075076548 /nfs/dbraw/zinc/07/65/48/1075076548.db2.gz DIMNFUWPRGRYNJ-HNNXBMFYSA-N 1 0 377.448 3.517 20 30 GHEDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC001476101101 1075084962 /nfs/dbraw/zinc/08/49/62/1075084962.db2.gz TWMGDBMXXLPFFU-CJNGLKHVSA-N 1 0 380.439 3.744 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1([NH+](C)C)CC1 ZINC001476100044 1075084980 /nfs/dbraw/zinc/08/49/80/1075084980.db2.gz GMMZQXLGWGBCQG-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001495335986 1079401689 /nfs/dbraw/zinc/40/16/89/1079401689.db2.gz FALBRTPLEWJGPO-JXFKEZNVSA-N 1 0 398.530 3.974 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(CC#N)CC1 ZINC001500998441 1079622493 /nfs/dbraw/zinc/62/24/93/1079622493.db2.gz OHPNBDSTTYIPGD-HXUWFJFHSA-N 1 0 386.588 3.871 20 30 GHEDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001560182414 1126208618 /nfs/dbraw/zinc/20/86/18/1126208618.db2.gz DBLUJMZCKFRISR-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC001656466774 1126257928 /nfs/dbraw/zinc/25/79/28/1126257928.db2.gz QDQIPEQPAMQWQU-XLIONFOSSA-N 1 0 395.421 3.884 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000359896093 212122043 /nfs/dbraw/zinc/12/20/43/212122043.db2.gz HUGPWBCHSWXDLP-RDTXWAMCSA-N 1 0 390.409 3.718 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C1 ZINC000736791802 600593159 /nfs/dbraw/zinc/59/31/59/600593159.db2.gz DRAKVXPJZZBWIX-HTAPYJJXSA-N 1 0 377.488 3.706 20 30 GHEDRO N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000833070815 604498136 /nfs/dbraw/zinc/49/81/36/604498136.db2.gz AQANPAWRHHJIMG-DNVJHFABSA-N 1 0 389.499 3.670 20 30 GHEDRO C=CCc1cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c(O)c(OC)c1 ZINC000823936937 607845972 /nfs/dbraw/zinc/84/59/72/607845972.db2.gz AKOUWGOUBGFGFO-UHFFFAOYSA-N 1 0 393.491 3.720 20 30 GHEDRO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434669 608550134 /nfs/dbraw/zinc/55/01/34/608550134.db2.gz DJMUWCRKAKVPMQ-CVEARBPZSA-N 1 0 376.464 3.741 20 30 GHEDRO N#Cc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)cnc1Cl ZINC001164387536 718814721 /nfs/dbraw/zinc/81/47/21/718814721.db2.gz HRRWHFCZYLWNBM-ZDUSSCGKSA-N 1 0 394.775 3.662 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@H]43)cc2c1Cl ZINC001164410451 718878045 /nfs/dbraw/zinc/87/80/45/718878045.db2.gz BNEDTRKAXHBWCQ-ZIAGYGMSSA-N 1 0 383.229 3.899 20 30 GHEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001164734890 720544404 /nfs/dbraw/zinc/54/44/04/720544404.db2.gz LAWNZPQOOHSLGU-HNNXBMFYSA-N 1 0 398.885 3.668 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164792574 721493782 /nfs/dbraw/zinc/49/37/82/721493782.db2.gz RDXFJJLBIWGDDW-UHFFFAOYSA-N 1 0 381.911 3.883 20 30 GHEDRO Cc1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1C#N ZINC001164954875 722013085 /nfs/dbraw/zinc/01/30/85/722013085.db2.gz PYVXDNPPJCPLHZ-UHFFFAOYSA-N 1 0 381.911 3.803 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580609418 837385878 /nfs/dbraw/zinc/38/58/78/837385878.db2.gz DHFHRCYBMYNDDC-CYBMUJFWSA-N 1 0 381.863 3.792 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)cc3OCC#N)cc2)CC1 ZINC000178017322 837563387 /nfs/dbraw/zinc/56/33/87/837563387.db2.gz NHFWMEHWMMDMNX-UHFFFAOYSA-N 1 0 396.466 3.511 20 30 GHEDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000471398449 837590724 /nfs/dbraw/zinc/59/07/24/837590724.db2.gz NGXFPIBCJYNBEL-UHFFFAOYSA-N 1 0 386.417 3.622 20 30 GHEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000176990606 837694958 /nfs/dbraw/zinc/69/49/58/837694958.db2.gz OEJFTSLKKHEHNV-UHFFFAOYSA-N 1 0 384.405 3.979 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000180941889 837716997 /nfs/dbraw/zinc/71/69/97/837716997.db2.gz OYGASDJMLAKIQM-CYBMUJFWSA-N 1 0 377.366 3.789 20 30 GHEDRO CCCc1c(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cnn1-c1cccc(C#N)c1 ZINC000376257284 837735307 /nfs/dbraw/zinc/73/53/07/837735307.db2.gz ILMIOMSJCZHLII-SFHVURJKSA-N 1 0 394.523 3.502 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000655732092 837768289 /nfs/dbraw/zinc/76/82/89/837768289.db2.gz XRSKIXJSCRCSKZ-UHFFFAOYSA-N 1 0 389.341 3.683 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000583492857 834493160 /nfs/dbraw/zinc/49/31/60/834493160.db2.gz XOZWXFBWANHIRV-JOCHJYFZSA-N 1 0 389.499 3.926 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000548797945 834547626 /nfs/dbraw/zinc/54/76/26/834547626.db2.gz AJCVQSUPTREYGU-UHFFFAOYSA-N 1 0 379.489 3.683 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccnc2ccccc12 ZINC000255597714 834629498 /nfs/dbraw/zinc/62/94/98/834629498.db2.gz IERJNTKYUHPCDY-KHPPLWFESA-N 1 0 384.483 3.710 20 30 GHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000584443304 834637647 /nfs/dbraw/zinc/63/76/47/834637647.db2.gz KUXVFNCZQXOZFC-QFIPXVFZSA-N 1 0 398.514 3.538 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000176955028 837818514 /nfs/dbraw/zinc/81/85/14/837818514.db2.gz HFTOKUXKYIXGMH-CYBMUJFWSA-N 1 0 376.323 3.998 20 30 GHEDRO CC(C)(C#N)CNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000458645499 834900005 /nfs/dbraw/zinc/90/00/05/834900005.db2.gz JKIQAQMHDGIHIS-FQEVSTJZSA-N 1 0 382.552 3.868 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176972133 837827725 /nfs/dbraw/zinc/82/77/25/837827725.db2.gz DPIXSGBEKKBGIK-IBGZPJMESA-N 1 0 381.455 3.611 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000262353894 835049407 /nfs/dbraw/zinc/04/94/07/835049407.db2.gz FNMDFQFBVNIGNS-INIZCTEOSA-N 1 0 380.517 3.874 20 30 GHEDRO COc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C ZINC000278427716 835058664 /nfs/dbraw/zinc/05/86/64/835058664.db2.gz CXWJHSGJQJWMFZ-UHFFFAOYSA-N 1 0 380.492 3.779 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN[C@@H](C[NH+]3CCCCC3)c3ccccc3)o2)cc1 ZINC000611938080 835084206 /nfs/dbraw/zinc/08/42/06/835084206.db2.gz HTWDKXRTMWWRAI-NRFANRHFSA-N 1 0 387.487 3.925 20 30 GHEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000685545511 835147544 /nfs/dbraw/zinc/14/75/44/835147544.db2.gz ISLZHXADOVOYTE-UHFFFAOYSA-N 1 0 391.972 3.942 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)C2)ccc1OCc1cccc(C#N)c1 ZINC000610213758 835147783 /nfs/dbraw/zinc/14/77/83/835147783.db2.gz PNHBIUYASWYDFT-GOSISDBHSA-N 1 0 380.488 3.740 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000685550043 835151533 /nfs/dbraw/zinc/15/15/33/835151533.db2.gz MNWNTNQFZVSRRW-GOSISDBHSA-N 1 0 399.539 3.535 20 30 GHEDRO O=C(Nc1ccnc(Sc2ccccn2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329510272 835164891 /nfs/dbraw/zinc/16/48/91/835164891.db2.gz MPTSCUBNMADNRH-KRWDZBQOSA-N 1 0 383.521 3.734 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000157560008 835231474 /nfs/dbraw/zinc/23/14/74/835231474.db2.gz GKMHIWMUHDUMFD-KRWDZBQOSA-N 1 0 377.444 3.966 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000583968973 835319084 /nfs/dbraw/zinc/31/90/84/835319084.db2.gz IJHJLGMHQJVPFF-OXQOHEQNSA-N 1 0 386.455 3.779 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000579855648 835483005 /nfs/dbraw/zinc/48/30/05/835483005.db2.gz FUEUOWFDABFZIZ-GOSISDBHSA-N 1 0 391.393 3.684 20 30 GHEDRO C=CCOCCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000658209140 835509451 /nfs/dbraw/zinc/50/94/51/835509451.db2.gz CZRXWLJCFXGCRC-HXUWFJFHSA-N 1 0 395.471 3.640 20 30 GHEDRO C[C@@]1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)OCCc2sccc21 ZINC000262370957 835570885 /nfs/dbraw/zinc/57/08/85/835570885.db2.gz LMYADZYPMKCXKX-KRWDZBQOSA-N 1 0 383.439 3.659 20 30 GHEDRO N#Cc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612130850 835578647 /nfs/dbraw/zinc/57/86/47/835578647.db2.gz FDSHBHOLPRXRCY-TZRRMPRUSA-N 1 0 387.527 3.908 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000612132373 835587468 /nfs/dbraw/zinc/58/74/68/835587468.db2.gz KZVAXEFPHXQKOA-WAOWUJCRSA-N 1 0 395.453 3.867 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274828204 835668640 /nfs/dbraw/zinc/66/86/40/835668640.db2.gz LJCIGNNMDKOJTD-KUDFPVQQSA-N 1 0 394.519 3.595 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1)C(=O)OC(C)(C)C ZINC000179450541 835721613 /nfs/dbraw/zinc/72/16/13/835721613.db2.gz IRAUOAQKKKLDDN-IBGZPJMESA-N 1 0 386.540 3.725 20 30 GHEDRO N#Cc1cc(Cl)ncc1C(F)(F)n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167087472 835774309 /nfs/dbraw/zinc/77/43/09/835774309.db2.gz VAVMEEIJLMSCCC-UHFFFAOYSA-N 1 0 376.769 3.944 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ccc(Cl)cc2)c(-c2ccncc2)n1 ZINC000278731433 835907246 /nfs/dbraw/zinc/90/72/46/835907246.db2.gz ULXCTKKZRLVVTJ-UHFFFAOYSA-N 1 0 381.867 3.681 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584320640 835913822 /nfs/dbraw/zinc/91/38/22/835913822.db2.gz FIYJLYNVRRYFIF-WOJBJXKFSA-N 1 0 390.487 3.553 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000048153230 835936966 /nfs/dbraw/zinc/93/69/66/835936966.db2.gz LYAVOLADCGNFHV-UHFFFAOYSA-N 1 0 393.556 3.834 20 30 GHEDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c2ccc(F)cc2O1 ZINC000584465139 836012894 /nfs/dbraw/zinc/01/28/94/836012894.db2.gz VGCZWDAMYOAFMO-XLIONFOSSA-N 1 0 384.451 3.523 20 30 GHEDRO C=CCCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000893750639 844120173 /nfs/dbraw/zinc/12/01/73/844120173.db2.gz RRYVVSBEOTWIDS-FKBYEOEOSA-N 1 0 380.536 3.669 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1OC(F)(F)F ZINC000584474411 836090932 /nfs/dbraw/zinc/09/09/32/836090932.db2.gz QJHSFIWTKXILAO-UHFFFAOYSA-N 1 0 396.413 3.939 20 30 GHEDRO N#Cc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccc1[N+](=O)[O-] ZINC000167407936 836150179 /nfs/dbraw/zinc/15/01/79/836150179.db2.gz WKIKLCLTGPRGMA-UHFFFAOYSA-N 1 0 391.475 3.611 20 30 GHEDRO Cc1nc(SCC(=O)N(C)CC[N@H+](C)C2CCCCC2)c(C#N)c(C)c1C ZINC000065910699 836187193 /nfs/dbraw/zinc/18/71/93/836187193.db2.gz FMJMLVFIHCKZLF-UHFFFAOYSA-N 1 0 388.581 3.694 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000375918498 836208492 /nfs/dbraw/zinc/20/84/92/836208492.db2.gz GJPVLQPWMUYRBO-XMSQKQJNSA-N 1 0 386.499 3.582 20 30 GHEDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1OCC ZINC000065931326 836251757 /nfs/dbraw/zinc/25/17/57/836251757.db2.gz JURNZESOSDVIAD-UHFFFAOYSA-N 1 0 395.503 3.560 20 30 GHEDRO N#Cc1ccccc1SCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000173716450 836271597 /nfs/dbraw/zinc/27/15/97/836271597.db2.gz GCTRQFWLMGVCFS-UHFFFAOYSA-N 1 0 383.542 3.838 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2ccoc2)c1C#N ZINC000472433680 836285165 /nfs/dbraw/zinc/28/51/65/836285165.db2.gz TYKPAFPMKIKZDN-UHFFFAOYSA-N 1 0 380.448 3.672 20 30 GHEDRO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000613425675 836356989 /nfs/dbraw/zinc/35/69/89/836356989.db2.gz CGVSKZDFFUQWMY-UHFFFAOYSA-N 1 0 378.520 3.820 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000065975253 836373211 /nfs/dbraw/zinc/37/32/11/836373211.db2.gz OTBBAOIRPFZIMR-UHFFFAOYSA-N 1 0 399.560 3.608 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000582526370 836380275 /nfs/dbraw/zinc/38/02/75/836380275.db2.gz YIWNMMKTXIBUHP-VQTJNVASSA-N 1 0 389.455 3.619 20 30 GHEDRO CC[C@H](C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065975217 836383083 /nfs/dbraw/zinc/38/30/83/836383083.db2.gz GARYXTZAPMFVDQ-SFHVURJKSA-N 1 0 399.560 3.824 20 30 GHEDRO CN(C(=O)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1)c1ccccc1 ZINC000430306761 836411175 /nfs/dbraw/zinc/41/11/75/836411175.db2.gz ZBUVLBIPYUMCMF-INIZCTEOSA-N 1 0 398.304 3.806 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1OC ZINC000109661282 836461083 /nfs/dbraw/zinc/46/10/83/836461083.db2.gz OYXPSFUULCGLHF-LJQANCHMSA-N 1 0 386.536 3.844 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(CCC(F)(F)F)CC3)CC2)nc1 ZINC000180181185 836520786 /nfs/dbraw/zinc/52/07/86/836520786.db2.gz TUVRUFGJUOWKAJ-UHFFFAOYSA-N 1 0 396.457 3.650 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)c1C#N ZINC000133795034 836534599 /nfs/dbraw/zinc/53/45/99/836534599.db2.gz RSSHLIBHOURROQ-UHFFFAOYSA-N 1 0 397.479 3.862 20 30 GHEDRO C=CCCCCCCCC[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001209444331 836575946 /nfs/dbraw/zinc/57/59/46/836575946.db2.gz PKBBSCZLRFOOAC-NRFANRHFSA-N 1 0 392.584 3.633 20 30 GHEDRO CC(C)C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(C(F)(F)F)c1 ZINC000255055720 836601597 /nfs/dbraw/zinc/60/15/97/836601597.db2.gz DTGMAITVEMPJOB-VRTBNJGNSA-N 1 0 395.425 3.909 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000376365034 836763955 /nfs/dbraw/zinc/76/39/55/836763955.db2.gz DYSAWEUVAZFVMB-SJORKVTESA-N 1 0 375.538 3.625 20 30 GHEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000610786466 844210081 /nfs/dbraw/zinc/21/00/81/844210081.db2.gz SVENVCZOGNYWJE-QHCPKHFHSA-N 1 0 383.536 3.830 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000582807726 836897648 /nfs/dbraw/zinc/89/76/48/836897648.db2.gz BDLXYTZIQDKJQZ-HXUWFJFHSA-N 1 0 379.529 3.731 20 30 GHEDRO COc1ccc(Cl)cc1CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001167240865 837005892 /nfs/dbraw/zinc/00/58/92/837005892.db2.gz MKAZININRPDYSX-UHFFFAOYSA-N 1 0 399.922 3.995 20 30 GHEDRO COc1ccccc1/C(C)=C/C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000066310583 837140585 /nfs/dbraw/zinc/14/05/85/837140585.db2.gz BCLAPCBCUXAPDG-OBGWFSINSA-N 1 0 377.488 3.561 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000247213792 837311337 /nfs/dbraw/zinc/31/13/37/837311337.db2.gz XDRKWEQNNLPUGB-AZUAARDMSA-N 1 0 397.592 3.949 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000893060747 837891851 /nfs/dbraw/zinc/89/18/51/837891851.db2.gz LOCCYDGZVRKZFU-MRXNPFEDSA-N 1 0 382.533 3.987 20 30 GHEDRO N#Cc1ccc(SCC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000609129601 838171205 /nfs/dbraw/zinc/17/12/05/838171205.db2.gz ULIAJGHLQPWARR-NRFANRHFSA-N 1 0 379.529 3.994 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC2)cc1 ZINC000189145030 838205014 /nfs/dbraw/zinc/20/50/14/838205014.db2.gz YTCXGOSHUZMYOC-UHFFFAOYSA-N 1 0 379.529 3.680 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[N@@H+]1C ZINC000610320996 838426697 /nfs/dbraw/zinc/42/66/97/838426697.db2.gz BFBGZZXDICXSMP-CRAIPNDOSA-N 1 0 379.464 3.692 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000610323066 838444926 /nfs/dbraw/zinc/44/49/26/838444926.db2.gz RQSAUTUWCMUDSP-DNVCBOLYSA-N 1 0 384.505 3.833 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000048149385 844341520 /nfs/dbraw/zinc/34/15/20/844341520.db2.gz ZDYTURVAIDMBMV-IBGZPJMESA-N 1 0 396.491 3.544 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549398824 838568569 /nfs/dbraw/zinc/56/85/69/838568569.db2.gz IKZOBBUGCWXTOV-QUCCMNQESA-N 1 0 392.551 3.927 20 30 GHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(C#N)cc3OC)CCN2C2CC2)c1 ZINC000549114074 838569553 /nfs/dbraw/zinc/56/95/53/838569553.db2.gz PZSJKSAWSDXRBK-JTHBVZDNSA-N 1 0 377.488 3.643 20 30 GHEDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000275723436 838570246 /nfs/dbraw/zinc/57/02/46/838570246.db2.gz WKKWBGHSOFDYMV-UHFFFAOYSA-N 1 0 392.503 3.738 20 30 GHEDRO C[C@@]1(c2ccccc2)C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000610353045 838634812 /nfs/dbraw/zinc/63/48/12/838634812.db2.gz SQSYUHJEKHBRTF-VWNXMTODSA-N 1 0 388.515 3.506 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000275743476 838638686 /nfs/dbraw/zinc/63/86/86/838638686.db2.gz RLQMQMVZDWRPPR-OAHLLOKOSA-N 1 0 396.516 3.577 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000047750290 838818997 /nfs/dbraw/zinc/81/89/97/838818997.db2.gz HANSTFNMHFSMCV-VGOFRKELSA-N 1 0 392.503 3.764 20 30 GHEDRO N#Cc1cc(NC(=O)N(CCC[NH3+])CC2CCCC2)ccc1OCC(F)(F)F ZINC000414855929 838896238 /nfs/dbraw/zinc/89/62/38/838896238.db2.gz XXZOIEFHGMFRIL-UHFFFAOYSA-N 1 0 398.429 3.872 20 30 GHEDRO C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(C#N)c1 ZINC000610403016 839079093 /nfs/dbraw/zinc/07/90/93/839079093.db2.gz SSUKJDZBABCSCU-KRWDZBQOSA-N 1 0 386.565 3.670 20 30 GHEDRO C[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C#N)cc1 ZINC000549170635 839143562 /nfs/dbraw/zinc/14/35/62/839143562.db2.gz AZZRSVSYVOOMHU-HNNXBMFYSA-N 1 0 377.469 3.571 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000415080055 839174951 /nfs/dbraw/zinc/17/49/51/839174951.db2.gz IQZHZEYDNYLRLK-GOEBONIOSA-N 1 0 380.448 3.560 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000050107705 839183138 /nfs/dbraw/zinc/18/31/38/839183138.db2.gz DYDIRQUGXNALEE-UHFFFAOYSA-N 1 0 398.894 3.960 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccs2)Cc2ccncc2)CC1 ZINC000892852136 839244106 /nfs/dbraw/zinc/24/41/06/839244106.db2.gz VZOLLILAMBBRGI-UHFFFAOYSA-N 1 0 384.549 3.895 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892880846 839309806 /nfs/dbraw/zinc/30/98/06/839309806.db2.gz LJHUBMYQDKEAIE-UHFFFAOYSA-N 1 0 380.330 3.538 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000510323066 839339368 /nfs/dbraw/zinc/33/93/68/839339368.db2.gz WNIQKZAOPZJDIF-UHFFFAOYSA-N 1 0 377.488 3.709 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000584576165 839483691 /nfs/dbraw/zinc/48/36/91/839483691.db2.gz AHITWEXOBCQYOA-QFIPXVFZSA-N 1 0 378.472 3.799 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000561135116 839716198 /nfs/dbraw/zinc/71/61/98/839716198.db2.gz JMYYYRREMOXFGI-UHFFFAOYSA-N 1 0 380.492 3.578 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCC(=O)NC2(C)C)c2ccccc2)CC1 ZINC000328746434 839768204 /nfs/dbraw/zinc/76/82/04/839768204.db2.gz ORIJNOXYXVUZAC-MOPGFXCFSA-N 1 0 386.540 3.861 20 30 GHEDRO CCOC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000473448591 844470294 /nfs/dbraw/zinc/47/02/94/844470294.db2.gz GEGXITINCQNCSM-WMLDXEAASA-N 1 0 377.554 3.866 20 30 GHEDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000584117237 839878604 /nfs/dbraw/zinc/87/86/04/839878604.db2.gz ZJXOFZBIWLZHOX-PBHICJAKSA-N 1 0 377.554 3.604 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(C#N)cc1N(C)C ZINC000417132027 840492438 /nfs/dbraw/zinc/49/24/38/840492438.db2.gz SQPGCAOMXSKLDT-UHFFFAOYSA-N 1 0 391.519 3.673 20 30 GHEDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000236859633 840525084 /nfs/dbraw/zinc/52/50/84/840525084.db2.gz YPLOIJXMGRSXPZ-KRWDZBQOSA-N 1 0 398.438 3.763 20 30 GHEDRO N#Cc1cc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)nc2ccccc12 ZINC000580976676 840551453 /nfs/dbraw/zinc/55/14/53/840551453.db2.gz OFJWBPZMADQSHZ-UHFFFAOYSA-N 1 0 399.498 3.647 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000584688842 840560691 /nfs/dbraw/zinc/56/06/91/840560691.db2.gz LPOTYDHQCDAEQE-YADARESESA-N 1 0 389.499 3.791 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1C ZINC000178392071 840678243 /nfs/dbraw/zinc/67/82/43/840678243.db2.gz WTCFYJMZVFFLRM-HSZRJFAPSA-N 1 0 391.515 3.532 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511769792 840695043 /nfs/dbraw/zinc/69/50/43/840695043.db2.gz KGNSHAGTBGQTJM-UEQSERJNSA-N 1 0 390.527 3.752 20 30 GHEDRO C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)CC1 ZINC000573550420 844590017 /nfs/dbraw/zinc/59/00/17/844590017.db2.gz ZSLXERBYRDPJDL-VQTJNVASSA-N 1 0 385.471 3.631 20 30 GHEDRO CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245582753 844590168 /nfs/dbraw/zinc/59/01/68/844590168.db2.gz KDWOBHBRNAIBPS-FGZHOGPDSA-N 1 0 397.567 3.554 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000549920391 844610943 /nfs/dbraw/zinc/61/09/43/844610943.db2.gz UDMKJELKPCLPAU-PDGJWGCVSA-N 1 0 395.547 3.876 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000581377783 841197786 /nfs/dbraw/zinc/19/77/86/841197786.db2.gz OLCZNWFSTTVSHW-UHFFFAOYSA-N 1 0 394.475 3.710 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(C(C)(C)C)cc1 ZINC000027057864 841201689 /nfs/dbraw/zinc/20/16/89/841201689.db2.gz UFGDEBDYDSHNCN-UHFFFAOYSA-O 1 0 395.548 3.921 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000027057031 841201905 /nfs/dbraw/zinc/20/19/05/841201905.db2.gz ZKFUBGAQCMJFEH-UHFFFAOYSA-O 1 0 398.552 3.778 20 30 GHEDRO C=CCC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000417909757 841260594 /nfs/dbraw/zinc/26/05/94/841260594.db2.gz DHLFAEJZWPAKNB-ZIAGYGMSSA-N 1 0 379.373 3.994 20 30 GHEDRO N#CCC[C@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000417917103 841271833 /nfs/dbraw/zinc/27/18/33/841271833.db2.gz NXDYDDMVYUSONH-HBMCJLEFSA-N 1 0 380.467 3.697 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc([C@@H]2C[C@@H](C(F)(F)F)C[NH2+]2)n1 ZINC001211654338 841360090 /nfs/dbraw/zinc/36/00/90/841360090.db2.gz DOSWIRSUYCVXJH-KCJUWKMLSA-N 1 0 387.159 3.584 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000584520557 841380475 /nfs/dbraw/zinc/38/04/75/841380475.db2.gz JUPSLDRIVDJOEN-HNNXBMFYSA-N 1 0 396.800 3.658 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000027318479 841380885 /nfs/dbraw/zinc/38/08/85/841380885.db2.gz ZVUJFVBNUOGWMP-UHFFFAOYSA-O 1 0 383.537 3.800 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2F)n1 ZINC000328789570 841419172 /nfs/dbraw/zinc/41/91/72/841419172.db2.gz KURKBTOXSNCHSB-SFHVURJKSA-N 1 0 385.487 3.734 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cnc1N1CCCC[C@H]1C ZINC000329249947 861201749 /nfs/dbraw/zinc/20/17/49/861201749.db2.gz UBEMFTYTLWZNGH-GGPKGHCWSA-N 1 0 385.556 3.873 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418050546 841441019 /nfs/dbraw/zinc/44/10/19/841441019.db2.gz WLMAHYKXKNGXEP-IUODEOHRSA-N 1 0 375.225 3.501 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000156222610 841520118 /nfs/dbraw/zinc/52/01/18/841520118.db2.gz YHGZZBBFEHGACQ-HRAATJIYSA-N 1 0 389.565 3.940 20 30 GHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000500233711 841705052 /nfs/dbraw/zinc/70/50/52/841705052.db2.gz UJXHSEJJUHTYCW-UHFFFAOYSA-N 1 0 394.523 3.890 20 30 GHEDRO C=CCOc1cccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000126614317 841719557 /nfs/dbraw/zinc/71/95/57/841719557.db2.gz BZEUDPZUBQKSKZ-UHFFFAOYSA-N 1 0 380.492 3.956 20 30 GHEDRO Cc1cccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000157836379 841832379 /nfs/dbraw/zinc/83/23/79/841832379.db2.gz DGCGSFIURGILJV-QUCCMNQESA-N 1 0 397.544 3.540 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000247347385 841840191 /nfs/dbraw/zinc/84/01/91/841840191.db2.gz JNAVRYSUDMWCAF-MBSDFSHPSA-N 1 0 391.515 3.940 20 30 GHEDRO C=CCCC1(CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1 ZINC000661531105 841857283 /nfs/dbraw/zinc/85/72/83/841857283.db2.gz HLWKABQXBJJQCY-UHFFFAOYSA-N 1 0 399.579 3.969 20 30 GHEDRO COCC[N@H+]([C@H](C)c1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581647288 841875425 /nfs/dbraw/zinc/87/54/25/841875425.db2.gz YAOJRZHZTKHUTG-XMSQKQJNSA-N 1 0 377.488 3.763 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1c1ccc(O)cc1 ZINC000600200944 861247377 /nfs/dbraw/zinc/24/73/77/861247377.db2.gz PQCYUKANMWFRBF-LEWJYISDSA-N 1 0 378.472 3.582 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000046889913 841898295 /nfs/dbraw/zinc/89/82/95/841898295.db2.gz WYFLPHQXLGHNTN-UHFFFAOYSA-N 1 0 376.504 3.537 20 30 GHEDRO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CCC(c2c[nH]cn2)CC1 ZINC000329293530 861256469 /nfs/dbraw/zinc/25/64/69/861256469.db2.gz ROYHOPDZGHLLHZ-CQSZACIVSA-N 1 0 391.878 3.575 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](O)C34CCCC4)cc2)CC1 ZINC000330345460 842015981 /nfs/dbraw/zinc/01/59/81/842015981.db2.gz FFGRVKRYDVBFED-NRFANRHFSA-N 1 0 385.552 3.712 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000477385790 842072324 /nfs/dbraw/zinc/07/23/24/842072324.db2.gz YNKYGVIUBRWAAU-IBGZPJMESA-N 1 0 378.520 3.999 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1C#N ZINC000157902640 842073103 /nfs/dbraw/zinc/07/31/03/842073103.db2.gz JJBABUBEDGZRNH-UHFFFAOYSA-N 1 0 393.491 3.527 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000581721556 842091766 /nfs/dbraw/zinc/09/17/66/842091766.db2.gz CATWFFAGZLGZRS-FUHWJXTLSA-N 1 0 395.311 3.784 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nc4c(cc3C#N)CCC4)cc2)C[C@@H](C)O1 ZINC000603852243 861273969 /nfs/dbraw/zinc/27/39/69/861273969.db2.gz VJNQCRVOQFRUEP-IAGOWNOFSA-N 1 0 376.504 3.663 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccco1 ZINC000157912771 842135409 /nfs/dbraw/zinc/13/54/09/842135409.db2.gz PFNSOBKHPIIJPD-SJLPKXTDSA-N 1 0 399.564 3.766 20 30 GHEDRO CC[C@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)Oc1cccc(C(F)(F)F)c1 ZINC000432374630 842247530 /nfs/dbraw/zinc/24/75/30/842247530.db2.gz SXGLFVSOMJCNLP-AEFFLSMTSA-N 1 0 391.393 3.551 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000477592325 842259649 /nfs/dbraw/zinc/25/96/49/842259649.db2.gz QSTWFEJUTDWGMD-SFHVURJKSA-N 1 0 382.552 3.741 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCCC[C@@H]2CCO)sc2c1CCCCC2 ZINC000585754923 842262166 /nfs/dbraw/zinc/26/21/66/842262166.db2.gz RGXKPOYGLIOKPJ-MRXNPFEDSA-N 1 0 389.565 3.844 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000106767602 842267288 /nfs/dbraw/zinc/26/72/88/842267288.db2.gz OHNBNDCAIJXGDW-KRWDZBQOSA-N 1 0 379.435 3.800 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2ccsc2)sc2c1CCCCC2 ZINC000473156244 842285590 /nfs/dbraw/zinc/28/55/90/842285590.db2.gz AUFVGNIPIYZSGL-INIZCTEOSA-N 1 0 389.546 3.602 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)ccc21 ZINC000581868471 842337271 /nfs/dbraw/zinc/33/72/71/842337271.db2.gz VUNOMYSUCSGZEI-UTKZUKDTSA-N 1 0 392.478 3.711 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c1C#N ZINC000125603707 842387383 /nfs/dbraw/zinc/38/73/83/842387383.db2.gz OHUDJJKNTBAYCQ-UHFFFAOYSA-N 1 0 393.491 3.793 20 30 GHEDRO N#Cc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1Cl ZINC000548283756 842400661 /nfs/dbraw/zinc/40/06/61/842400661.db2.gz JRPUKVHGZKUTFD-UHFFFAOYSA-N 1 0 377.941 3.693 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCCc3c2cnn3C)C1 ZINC000328837278 842416321 /nfs/dbraw/zinc/41/63/21/842416321.db2.gz SXGADCQASUIPKY-UTKZUKDTSA-N 1 0 395.551 3.733 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+](C)C)c1 ZINC000157237560 861309076 /nfs/dbraw/zinc/30/90/76/861309076.db2.gz ABNZRIISPJAUIG-NHCUHLMSSA-N 1 0 380.492 3.642 20 30 GHEDRO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)no1 ZINC000329354580 861319159 /nfs/dbraw/zinc/31/91/59/861319159.db2.gz FJTVOKJCWLKOAP-MOPGFXCFSA-N 1 0 383.496 3.574 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000598609313 842517915 /nfs/dbraw/zinc/51/79/15/842517915.db2.gz GODFAQNVQUYHFL-MNEFBYGVSA-N 1 0 381.923 3.893 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511950719 842535042 /nfs/dbraw/zinc/53/50/42/842535042.db2.gz AJIGCIBYQZIHCO-UHFFFAOYSA-N 1 0 391.540 3.935 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000603889874 861332898 /nfs/dbraw/zinc/33/28/98/861332898.db2.gz BGCFLQGDKUVIDO-PMACEKPBSA-N 1 0 375.472 3.659 20 30 GHEDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000187609314 842684648 /nfs/dbraw/zinc/68/46/48/842684648.db2.gz FAKZMVVFZPTAOT-OAQYLSRUSA-N 1 0 389.565 3.702 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOCc3ccccc3)CC2)cc1 ZINC000050555914 842708728 /nfs/dbraw/zinc/70/87/28/842708728.db2.gz XDCZUPHGEZNIGA-UHFFFAOYSA-N 1 0 391.515 3.590 20 30 GHEDRO COc1ccc(C2(Cc3nc(-c4cc(F)cc(C#N)c4)no3)CC[NH2+]CC2)cc1 ZINC001211522866 842711521 /nfs/dbraw/zinc/71/15/21/842711521.db2.gz NSKJGEFSLKYDKP-UHFFFAOYSA-N 1 0 392.434 3.620 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2c2nnc(C3CCC3)o2)CC1 ZINC000329371528 861338861 /nfs/dbraw/zinc/33/88/61/861338861.db2.gz MGXBYHSHOBXTKR-SFHVURJKSA-N 1 0 389.544 3.693 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](c1ccccn1)C1CCC1)CCC2 ZINC000599574026 861349619 /nfs/dbraw/zinc/34/96/19/861349619.db2.gz MLISTARQCRVPEL-FQEVSTJZSA-N 1 0 380.517 3.963 20 30 GHEDRO C[C@H]([NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C)C(=O)Nc1ccccc1C#N ZINC000471861288 842922336 /nfs/dbraw/zinc/92/23/36/842922336.db2.gz NNSBOLTZLVMQDK-DQLDELGASA-N 1 0 377.488 3.859 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000329395623 861372185 /nfs/dbraw/zinc/37/21/85/861372185.db2.gz XDHGKBLCAVGSHO-PKOBYXMFSA-N 1 0 375.488 3.509 20 30 GHEDRO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000279413807 843051930 /nfs/dbraw/zinc/05/19/30/843051930.db2.gz OEPCOEUOWYWPNL-NNWRFLSQSA-N 1 0 393.535 3.884 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000178500511 861375195 /nfs/dbraw/zinc/37/51/95/861375195.db2.gz XWGHGUCFZIKGLI-QGZVFWFLSA-N 1 0 388.508 3.559 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000066943915 843073199 /nfs/dbraw/zinc/07/31/99/843073199.db2.gz FAXJASJPBTUXJO-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2ccccc2)cn1 ZINC000171063862 861376684 /nfs/dbraw/zinc/37/66/84/861376684.db2.gz RCJLYCTUZGGNDF-UHFFFAOYSA-O 1 0 384.506 3.799 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000279505384 843096426 /nfs/dbraw/zinc/09/64/26/843096426.db2.gz ZYHBMLAATONVGP-LJQANCHMSA-N 1 0 375.451 3.987 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(NC([O-])=[NH+]c2ccccc2)s1 ZINC000329413123 861389124 /nfs/dbraw/zinc/38/91/24/861389124.db2.gz CNIAODYSDKNLNN-CVEARBPZSA-N 1 0 384.505 3.762 20 30 GHEDRO C#Cc1ccc(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)cn1 ZINC000728862405 843238919 /nfs/dbraw/zinc/23/89/19/843238919.db2.gz KKORLSKLUWBACV-LJQANCHMSA-N 1 0 389.421 3.895 20 30 GHEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000511974867 843373038 /nfs/dbraw/zinc/37/30/38/843373038.db2.gz WHMQRHALTYMATK-RYUDHWBXSA-N 1 0 378.822 3.850 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662520701 843386239 /nfs/dbraw/zinc/38/62/39/843386239.db2.gz LHVXONRYTFVMCX-DGCLKSJQSA-N 1 0 398.322 3.800 20 30 GHEDRO C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000261636674 843495343 /nfs/dbraw/zinc/49/53/43/843495343.db2.gz CYGBFNXBIXZCOZ-LYYZXLFJSA-N 1 0 375.479 3.724 20 30 GHEDRO C=CC[C@@]1(C(=O)NCc2ccnc(Oc3ccc(OCC)cc3)c2)CCC[NH2+]1 ZINC000662675114 843513272 /nfs/dbraw/zinc/51/32/72/843513272.db2.gz KHEOBJMRDCXDNV-QFIPXVFZSA-N 1 0 381.476 3.587 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 ZINC000511979339 843514073 /nfs/dbraw/zinc/51/40/73/843514073.db2.gz VBAJVHBDBUSSEB-UHFFFAOYSA-N 1 0 379.479 3.886 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000610683785 843547458 /nfs/dbraw/zinc/54/74/58/843547458.db2.gz HFABMMUKXDTMCL-HXUWFJFHSA-N 1 0 375.472 3.873 20 30 GHEDRO COCC1=CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000481854237 843549724 /nfs/dbraw/zinc/54/97/24/843549724.db2.gz JXFWZLVVMKTDCA-UHFFFAOYSA-N 1 0 378.472 3.924 20 30 GHEDRO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000599637869 861430990 /nfs/dbraw/zinc/43/09/90/861430990.db2.gz WJXMCPNSDYSYPO-QGZVFWFLSA-N 1 0 378.314 3.657 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418737631 843585400 /nfs/dbraw/zinc/58/54/00/843585400.db2.gz YHNSHMDRYNEFES-DENIHFKCSA-N 1 0 394.494 3.927 20 30 GHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330305187 843620780 /nfs/dbraw/zinc/62/07/80/843620780.db2.gz KTIIOPOGQLHQQR-QZTJIDSGSA-N 1 0 385.533 3.925 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610717696 843692769 /nfs/dbraw/zinc/69/27/69/843692769.db2.gz HGVTYQDCJYSRRF-QGZVFWFLSA-N 1 0 379.464 3.741 20 30 GHEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCC(OC(C)(C)C)CC1 ZINC000261720368 843847459 /nfs/dbraw/zinc/84/74/59/843847459.db2.gz IGTNCGIMYIYGCY-OTWHNJEPSA-N 1 0 377.573 3.579 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000500736301 843909098 /nfs/dbraw/zinc/90/90/98/843909098.db2.gz DACRJFYNNOSKKW-RTBURBONSA-N 1 0 391.515 3.987 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000731112969 861474605 /nfs/dbraw/zinc/47/46/05/861474605.db2.gz HKHJRQUPUJAQPO-UHFFFAOYSA-N 1 0 385.895 3.948 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599677960 861476073 /nfs/dbraw/zinc/47/60/73/861476073.db2.gz HXLBKPSHAUJYOY-KRWDZBQOSA-N 1 0 392.286 3.907 20 30 GHEDRO Cc1c2cccc(Br)c2oc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000543878061 843968243 /nfs/dbraw/zinc/96/82/43/843968243.db2.gz CZHBHIANOWLJJK-UHFFFAOYSA-N 1 0 392.297 3.811 20 30 GHEDRO Cc1c2cc(F)ccc2oc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047011072 844681463 /nfs/dbraw/zinc/68/14/63/844681463.db2.gz RUFHKIFAEHGPEY-UHFFFAOYSA-N 1 0 379.435 3.956 20 30 GHEDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000277129142 844712587 /nfs/dbraw/zinc/71/25/87/844712587.db2.gz GGZDRBXURTUATH-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000047028479 844715305 /nfs/dbraw/zinc/71/53/05/844715305.db2.gz VSRXZHKLSWRQSI-KRWDZBQOSA-N 1 0 389.459 3.738 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc4ccccc43)CC2)cc1 ZINC000247649594 844733373 /nfs/dbraw/zinc/73/33/73/844733373.db2.gz MIFKAKPQAWDRQH-UHFFFAOYSA-N 1 0 383.495 3.988 20 30 GHEDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1cccc(Br)c1 ZINC000329471524 861494536 /nfs/dbraw/zinc/49/45/36/861494536.db2.gz ZOHIDROOWXTNPU-OIISXLGYSA-N 1 0 379.298 3.974 20 30 GHEDRO O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329473324 861496003 /nfs/dbraw/zinc/49/60/03/861496003.db2.gz AONNONIBHQRWHP-OCCSQVGLSA-N 1 0 375.366 3.720 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCOc2ccc(Cl)cn2)c(-c2ccccc2)n1 ZINC000152137786 844825494 /nfs/dbraw/zinc/82/54/94/844825494.db2.gz XWEPMKQXQVCXHB-UHFFFAOYSA-N 1 0 381.867 3.681 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000512629508 844834353 /nfs/dbraw/zinc/83/43/53/844834353.db2.gz JBBPCIHATBWCKZ-HUUCEWRRSA-N 1 0 381.451 3.767 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000663913879 844888912 /nfs/dbraw/zinc/88/89/12/844888912.db2.gz JGWGALVJFXNFDF-YTQUADARSA-N 1 0 386.515 3.531 20 30 GHEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000433012019 844915378 /nfs/dbraw/zinc/91/53/78/844915378.db2.gz QSEKLKHHXMALGC-FCHUYYIVSA-N 1 0 395.478 3.750 20 30 GHEDRO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433017409 844959396 /nfs/dbraw/zinc/95/93/96/844959396.db2.gz AGCXGBMFZHKLRG-NRFANRHFSA-N 1 0 377.488 3.999 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000599678920 861516473 /nfs/dbraw/zinc/51/64/73/861516473.db2.gz ZQLLHWQPNUQDKP-UHFFFAOYSA-N 1 0 390.512 3.561 20 30 GHEDRO C=CCc1cc(CN2Cc3ccccc3[C@H](C(=O)OCC)C2)cc(OC)c1O ZINC000512667175 844965726 /nfs/dbraw/zinc/96/57/26/844965726.db2.gz AZLWYJRDBPVVHH-HXUWFJFHSA-N 1 0 381.472 3.792 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000458321061 844991583 /nfs/dbraw/zinc/99/15/83/844991583.db2.gz MVRDOEHUVAGWFH-NRFANRHFSA-N 1 0 383.492 3.717 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000329489536 861523339 /nfs/dbraw/zinc/52/33/39/861523339.db2.gz UUOOWVVGPPTOLB-KHSAKVFQSA-N 1 0 385.552 3.751 20 30 GHEDRO COc1ccc2c(c1)C[N@@H+](CCC(=O)N(C)CCC#N)[C@H](c1ccccc1)C2 ZINC000179361093 861547942 /nfs/dbraw/zinc/54/79/42/861547942.db2.gz STTXPIVMYJQTIU-QFIPXVFZSA-N 1 0 377.488 3.557 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513299128 845213828 /nfs/dbraw/zinc/21/38/28/845213828.db2.gz CMNMXCHKCMQIKO-FYYLOGMGSA-N 1 0 391.515 3.742 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)CC1 ZINC000181696098 845273931 /nfs/dbraw/zinc/27/39/31/845273931.db2.gz DMZKWRBOPXIFNX-UHFFFAOYSA-N 1 0 377.460 3.777 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000538398472 845399565 /nfs/dbraw/zinc/39/95/65/845399565.db2.gz QLSQBJPRECHNOI-UHFFFAOYSA-N 1 0 385.458 3.956 20 30 GHEDRO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cnn1-c1cccc(C)c1 ZINC000329513793 861569786 /nfs/dbraw/zinc/56/97/86/861569786.db2.gz YCNWHGGZFXJTID-UHFFFAOYSA-N 1 0 396.535 3.829 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513533480 845629243 /nfs/dbraw/zinc/62/92/43/845629243.db2.gz JVQHBPOCTPJURT-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cn1 ZINC000433937723 845633968 /nfs/dbraw/zinc/63/39/68/845633968.db2.gz YDHYEGAZPDYQIY-SIKLNZKXSA-N 1 0 398.507 3.604 20 30 GHEDRO CC[N@H+](CCC1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1)CC1CC1 ZINC000538947533 845751198 /nfs/dbraw/zinc/75/11/98/845751198.db2.gz FJDSRTBFQQGFEL-GOSISDBHSA-N 1 0 382.552 3.719 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000187714453 845764667 /nfs/dbraw/zinc/76/46/67/845764667.db2.gz LQJKPCNUEAVZLQ-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167536404 846099438 /nfs/dbraw/zinc/09/94/38/846099438.db2.gz YWJJCCPZUTUWFB-VAMGGRTRSA-N 1 0 377.573 3.834 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000329554943 861650046 /nfs/dbraw/zinc/65/00/46/861650046.db2.gz DOTATJHVOWGVNC-SFHVURJKSA-N 1 0 391.519 3.928 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000333594675 846200539 /nfs/dbraw/zinc/20/05/39/846200539.db2.gz BXWFOTVJFJAMBP-UHFFFAOYSA-N 1 0 390.915 3.971 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000502563350 846207420 /nfs/dbraw/zinc/20/74/20/846207420.db2.gz MXEKZBORKJCOSB-LERXQTSPSA-N 1 0 383.464 3.575 20 30 GHEDRO C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc(OCC#N)cc1 ZINC000280184473 846324688 /nfs/dbraw/zinc/32/46/88/846324688.db2.gz RWUQCEGMCWOOLW-CQSZACIVSA-N 1 0 377.286 3.679 20 30 GHEDRO N#CCCn1cc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(-c2ccncc2)n1 ZINC000280510373 846429583 /nfs/dbraw/zinc/42/95/83/846429583.db2.gz AGHMLURLTRDGIT-QFIPXVFZSA-N 1 0 392.551 3.745 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)ccc1F ZINC000551560099 846435131 /nfs/dbraw/zinc/43/51/31/846435131.db2.gz DZPJWTHOCBDPPV-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1OC ZINC000582137979 846478804 /nfs/dbraw/zinc/47/88/04/846478804.db2.gz PBPCHJTYLQMSRK-KRWDZBQOSA-N 1 0 379.504 3.765 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1=O ZINC001143440483 846522957 /nfs/dbraw/zinc/52/29/57/846522957.db2.gz IVVIBBNDRZMCED-SFHVURJKSA-N 1 0 386.389 3.725 20 30 GHEDRO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1=O ZINC000329573541 861693169 /nfs/dbraw/zinc/69/31/69/861693169.db2.gz RKJCBFKEJNUKTO-HDMKZQKVSA-N 1 0 397.441 3.523 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419503701 846596575 /nfs/dbraw/zinc/59/65/75/846596575.db2.gz IBTHTUXZAQBPNQ-BEVDRBHNSA-N 1 0 380.492 3.957 20 30 GHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419646637 846715348 /nfs/dbraw/zinc/71/53/48/846715348.db2.gz QHXXCFDVGVICFH-FQEVSTJZSA-N 1 0 382.533 3.771 20 30 GHEDRO COc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599815328 861712848 /nfs/dbraw/zinc/71/28/48/861712848.db2.gz XFISBUHONFKFLG-RDJZCZTQSA-N 1 0 396.466 3.738 20 30 GHEDRO COc1cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(F)cc1C#N ZINC000599816551 861717453 /nfs/dbraw/zinc/71/74/53/861717453.db2.gz FPZFEUPTFZTIKP-UHFFFAOYSA-N 1 0 388.487 3.826 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC[N@@H+]1C ZINC000329592543 861727217 /nfs/dbraw/zinc/72/72/17/861727217.db2.gz BYZPTBONADTRSN-BVRBVLIYSA-N 1 0 379.913 3.708 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)C(C)C)CC1 ZINC000555751064 861736110 /nfs/dbraw/zinc/73/61/10/861736110.db2.gz QNXDBXLKTICSRT-AVRDEDQJSA-N 1 0 399.579 3.780 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](CO)CC2)ccc1OCc1cccc(C#N)c1 ZINC000555752031 861740434 /nfs/dbraw/zinc/74/04/34/861740434.db2.gz ZIYJZNYTNUQVRN-SFHVURJKSA-N 1 0 380.488 3.740 20 30 GHEDRO Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)nn1CCC#N ZINC000272135155 847000002 /nfs/dbraw/zinc/00/00/02/847000002.db2.gz VNBDOOVUVPAHDU-UHFFFAOYSA-N 1 0 394.523 3.659 20 30 GHEDRO CC(C)C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000582442081 847238752 /nfs/dbraw/zinc/23/87/52/847238752.db2.gz DULZFOANJSYILA-PGRDOPGGSA-N 1 0 399.560 3.743 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501858273 847283579 /nfs/dbraw/zinc/28/35/79/847283579.db2.gz UMZXXLUCLZVSOW-ZWKOTPCHSA-N 1 0 389.540 3.513 20 30 GHEDRO COc1cccc(C[N@H+](Cc2ccc(OC)c(C#N)c2)C2CCC(O)CC2)c1 ZINC000135088211 847286658 /nfs/dbraw/zinc/28/66/58/847286658.db2.gz RHJLXHKKORZUSO-UHFFFAOYSA-N 1 0 380.488 3.881 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)CC1 ZINC000237115344 847321157 /nfs/dbraw/zinc/32/11/57/847321157.db2.gz OABQEUFQROSZJB-UHFFFAOYSA-N 1 0 385.508 3.619 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C ZINC000329617554 861781795 /nfs/dbraw/zinc/78/17/95/861781795.db2.gz LRESLFPIDGBDSI-QGZVFWFLSA-N 1 0 384.528 3.582 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(c3cc(CC)ncn3)C2)ccc1OC ZINC000237118735 847389468 /nfs/dbraw/zinc/38/94/68/847389468.db2.gz LMIUSPZOXXKSCN-HXUWFJFHSA-N 1 0 396.535 3.761 20 30 GHEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000511147527 847496426 /nfs/dbraw/zinc/49/64/26/847496426.db2.gz TZDSTWDRFYDJCP-FQEVSTJZSA-N 1 0 385.895 3.651 20 30 GHEDRO CN(C)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1F ZINC000113330941 847549456 /nfs/dbraw/zinc/54/94/56/847549456.db2.gz YOBHALGEIANKTC-UHFFFAOYSA-N 1 0 377.467 3.959 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000503468714 847723449 /nfs/dbraw/zinc/72/34/49/847723449.db2.gz KZFPMUZAMSMSHN-UHFFFAOYSA-N 1 0 391.924 3.532 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)sc2c1CCCCC2 ZINC000503527359 847758682 /nfs/dbraw/zinc/75/86/82/847758682.db2.gz XWIDZNXLSFJFHG-ZIAGYGMSSA-N 1 0 383.464 3.577 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000131931140 861829271 /nfs/dbraw/zinc/82/92/71/861829271.db2.gz OCQCPTZOFQTNME-WIYYLYMNSA-N 1 0 391.515 3.885 20 30 GHEDRO CC(C)(C#N)CCCC[NH+]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000375721441 847798377 /nfs/dbraw/zinc/79/83/77/847798377.db2.gz VNUHNFOAWRHHOZ-QFIPXVFZSA-N 1 0 396.579 3.515 20 30 GHEDRO Cc1nc2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2s1 ZINC000431467915 847896462 /nfs/dbraw/zinc/89/64/62/847896462.db2.gz BIHPWBWKBDISLG-UHFFFAOYSA-N 1 0 378.501 3.680 20 30 GHEDRO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000503745581 847919755 /nfs/dbraw/zinc/91/97/55/847919755.db2.gz GZHDGDCJVAJQGJ-FCHUYYIVSA-N 1 0 382.552 3.990 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502505455 847946388 /nfs/dbraw/zinc/94/63/88/847946388.db2.gz CJRODMSNQHSXHS-UHFFFAOYSA-N 1 0 390.443 3.893 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F ZINC000421324925 847948149 /nfs/dbraw/zinc/94/81/49/847948149.db2.gz IUWSCZNMSOFYEW-UHFFFAOYSA-N 1 0 378.373 3.870 20 30 GHEDRO COc1cccc([C@H](C)N2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)c1 ZINC000511187100 848126752 /nfs/dbraw/zinc/12/67/52/848126752.db2.gz AHWQTWCODNXXMT-HNNXBMFYSA-N 1 0 383.879 3.739 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000604145714 861890052 /nfs/dbraw/zinc/89/00/52/861890052.db2.gz JGHOPDNIQQRHDB-NQIIRXRSSA-N 1 0 397.544 3.976 20 30 GHEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000582813622 848451704 /nfs/dbraw/zinc/45/17/04/848451704.db2.gz LNXLFAZIUHVZBN-UHFFFAOYSA-N 1 0 375.520 3.740 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614722745 861905888 /nfs/dbraw/zinc/90/58/88/861905888.db2.gz WDKFYQGKSNSJKP-NRFANRHFSA-N 1 0 396.531 3.631 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000176749249 848529597 /nfs/dbraw/zinc/52/95/97/848529597.db2.gz ZLOLKDXRAMPPFB-CQSZACIVSA-N 1 0 387.867 3.758 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(Cl)cc1 ZINC000582967911 848783857 /nfs/dbraw/zinc/78/38/57/848783857.db2.gz CHQJDKKHCHWEIK-PMACEKPBSA-N 1 0 383.923 3.874 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000121799397 848832692 /nfs/dbraw/zinc/83/26/92/848832692.db2.gz WNEOLZCNWBKGKH-KRWDZBQOSA-O 1 0 389.928 3.643 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1C#N ZINC000122709736 848993743 /nfs/dbraw/zinc/99/37/43/848993743.db2.gz UHAZMQIIMHPJQP-UZUQRXQVSA-N 1 0 380.488 3.982 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000458394326 849134439 /nfs/dbraw/zinc/13/44/39/849134439.db2.gz BXFYJNFQHWURBF-DZFGPLHGSA-N 1 0 382.552 3.841 20 30 GHEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@H]21 ZINC000599999751 862001710 /nfs/dbraw/zinc/00/17/10/862001710.db2.gz HNOGECYLNNMMGQ-IGOJGBNBSA-N 1 0 381.863 3.636 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1Cl ZINC000604286162 862035283 /nfs/dbraw/zinc/03/52/83/862035283.db2.gz UDJNIWICXBMXAV-HXUWFJFHSA-N 1 0 384.911 3.823 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434756520 849743917 /nfs/dbraw/zinc/74/39/17/849743917.db2.gz NEYRNFQCCHRZDO-QFIPXVFZSA-N 1 0 395.547 3.567 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000278235757 849777709 /nfs/dbraw/zinc/77/77/09/849777709.db2.gz KPNQFYJATVTGLS-QFIPXVFZSA-N 1 0 376.504 3.702 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000503937508 849783824 /nfs/dbraw/zinc/78/38/24/849783824.db2.gz SJPDQQPZLRHHCG-SFHVURJKSA-N 1 0 389.377 3.742 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cc1 ZINC000434869885 849856247 /nfs/dbraw/zinc/85/62/47/849856247.db2.gz ONBWZAFULOEQKI-NHYWBVRUSA-N 1 0 390.306 3.838 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000504067056 849861337 /nfs/dbraw/zinc/86/13/37/849861337.db2.gz FLJREUHEHBYXKK-NQIIRXRSSA-N 1 0 391.515 3.695 20 30 GHEDRO N#Cc1cccc(C2(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC2)c1 ZINC000435009363 849989956 /nfs/dbraw/zinc/98/99/56/849989956.db2.gz SLDXRAMBCVFEND-UHFFFAOYSA-N 1 0 379.529 3.680 20 30 GHEDRO N#Cc1cccc(C2(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)c1 ZINC000435024980 850008168 /nfs/dbraw/zinc/00/81/68/850008168.db2.gz VGEKJBYEJLSWNZ-SFHVURJKSA-N 1 0 379.529 3.680 20 30 GHEDRO Cc1cc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c(C#N)cn1 ZINC000425269681 850028108 /nfs/dbraw/zinc/02/81/08/850028108.db2.gz RIRPFQSYPGVEKL-UHFFFAOYSA-N 1 0 395.938 3.706 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481706003 862082986 /nfs/dbraw/zinc/08/29/86/862082986.db2.gz GTJQMCCOUIEECV-XUZZJYLKSA-N 1 0 379.500 3.676 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 ZINC000329695207 862098694 /nfs/dbraw/zinc/09/86/94/862098694.db2.gz XISJKNNDWMMOLM-KRWDZBQOSA-N 1 0 388.487 3.692 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000424113506 850226452 /nfs/dbraw/zinc/22/64/52/850226452.db2.gz NQXGSVFMPRWSOH-SFHVURJKSA-N 1 0 391.519 3.843 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424124207 850237424 /nfs/dbraw/zinc/23/74/24/850237424.db2.gz LQYRVIZEOIQHPC-RBUKOAKNSA-N 1 0 383.565 3.743 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C12CCCC2 ZINC000439668961 850253015 /nfs/dbraw/zinc/25/30/15/850253015.db2.gz FSBSFBNMTAEWCJ-IOMROCGXSA-N 1 0 399.535 3.658 20 30 GHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000908666843 850259288 /nfs/dbraw/zinc/25/92/88/850259288.db2.gz IMTPWFDKVZJNGK-HXUWFJFHSA-N 1 0 393.535 3.595 20 30 GHEDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000435245916 850264646 /nfs/dbraw/zinc/26/46/46/850264646.db2.gz DTYKZLXTXPSBPZ-OAQYLSRUSA-N 1 0 378.472 3.912 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000426464331 850265757 /nfs/dbraw/zinc/26/57/57/850265757.db2.gz YANQOLGFBFYMGQ-INIZCTEOSA-N 1 0 396.560 3.772 20 30 GHEDRO Cc1sc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c(C#N)c1C ZINC000518887529 850305233 /nfs/dbraw/zinc/30/52/33/850305233.db2.gz BEEQVFYYFSVPOP-UHFFFAOYSA-N 1 0 382.533 3.778 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000424292010 850337359 /nfs/dbraw/zinc/33/73/59/850337359.db2.gz FWDKHEQTISHCFZ-ILWGZMRPSA-N 1 0 385.529 3.669 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC000518918205 850351550 /nfs/dbraw/zinc/35/15/50/850351550.db2.gz VRLQGFULMJRFCL-UHFFFAOYSA-N 1 0 386.455 3.737 20 30 GHEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000424325464 850363959 /nfs/dbraw/zinc/36/39/59/850363959.db2.gz KYPIGQRFMGAYNJ-LNSITVRQSA-N 1 0 382.245 3.787 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000435337554 850388686 /nfs/dbraw/zinc/38/86/86/850388686.db2.gz VWNSLSHHLXQQLM-UHFFFAOYSA-N 1 0 378.904 3.753 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132399 850403851 /nfs/dbraw/zinc/40/38/51/850403851.db2.gz UGODHYUMSIVNQR-IRXDYDNUSA-N 1 0 380.492 3.738 20 30 GHEDRO C=CCOc1ccc(CN(Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435423119 850503571 /nfs/dbraw/zinc/50/35/71/850503571.db2.gz RTSIKWCUJVYGGM-NRFANRHFSA-N 1 0 380.536 3.612 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC000515000504 850569742 /nfs/dbraw/zinc/56/97/42/850569742.db2.gz XAKCJVIXGLSZRX-KRWDZBQOSA-N 1 0 387.549 3.692 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000505052312 850573847 /nfs/dbraw/zinc/57/38/47/850573847.db2.gz QQHUNSCWIYCOBD-NHCUHLMSSA-N 1 0 379.504 3.562 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000437978251 850599714 /nfs/dbraw/zinc/59/97/14/850599714.db2.gz VAMDSVPWBRLQDL-QGZVFWFLSA-N 1 0 380.492 3.907 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000909284733 850689053 /nfs/dbraw/zinc/68/90/53/850689053.db2.gz DNFYPMJXZDZVDR-UYAOXDASSA-N 1 0 381.524 3.589 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000435748845 850813988 /nfs/dbraw/zinc/81/39/88/850813988.db2.gz PZEARENYPMIDIR-RHSMWYFYSA-N 1 0 382.298 3.681 20 30 GHEDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000434384319 851058225 /nfs/dbraw/zinc/05/82/25/851058225.db2.gz CVRWHLAHQNIMON-CQSZACIVSA-N 1 0 383.402 3.933 20 30 GHEDRO N#C[C@H]1CN(Cc2ccccc2Oc2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513976424 851069094 /nfs/dbraw/zinc/06/90/94/851069094.db2.gz WSXLPIGNQKNLJL-MHECFPHRSA-N 1 0 396.450 3.719 20 30 GHEDRO CC[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000505418041 851083422 /nfs/dbraw/zinc/08/34/22/851083422.db2.gz ZVUFGRWHMPFSSQ-QFIPXVFZSA-N 1 0 393.506 3.928 20 30 GHEDRO C=CCOC(=O)[C@@H](Nc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1)[C@@H](C)CC ZINC001167960159 851163149 /nfs/dbraw/zinc/16/31/49/851163149.db2.gz UTSGXWYCDACTKX-MDKPJZGXSA-N 1 0 384.524 3.907 20 30 GHEDRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1C ZINC000329719244 862213720 /nfs/dbraw/zinc/21/37/20/862213720.db2.gz ABSKJJJAJJCJTA-LJQANCHMSA-N 1 0 392.503 3.942 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000604472409 862214138 /nfs/dbraw/zinc/21/41/38/862214138.db2.gz ZNOMOQFYLBGEAE-QFIPXVFZSA-N 1 0 393.556 3.820 20 30 GHEDRO C[N@H+](CCCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CC1 ZINC000454290858 851191759 /nfs/dbraw/zinc/19/17/59/851191759.db2.gz IWUASMZHCDPYEF-UHFFFAOYSA-N 1 0 383.521 3.601 20 30 GHEDRO C=CCC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000187584454 851199420 /nfs/dbraw/zinc/19/94/20/851199420.db2.gz BTLSFKOQDZBWSM-XZOQPEGZSA-N 1 0 378.516 3.619 20 30 GHEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@H](c3ccccc3)[C@@H](C)C2)n1C ZINC000261931693 851204791 /nfs/dbraw/zinc/20/47/91/851204791.db2.gz BNQURRPZHZIHQM-UWJYYQICSA-N 1 0 394.567 3.637 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+]1CCC(C)CC1 ZINC000604475020 862218009 /nfs/dbraw/zinc/21/80/09/862218009.db2.gz MBGVJVJAQHUKDW-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000514203639 851406494 /nfs/dbraw/zinc/40/64/94/851406494.db2.gz KPJOBWSLWLAGIJ-IBGZPJMESA-N 1 0 398.482 3.544 20 30 GHEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000515731557 851413872 /nfs/dbraw/zinc/41/38/72/851413872.db2.gz HTFTULLLJVFNKN-IBGZPJMESA-N 1 0 391.924 3.573 20 30 GHEDRO C=CCN(C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H](C)COC ZINC000664551866 851568457 /nfs/dbraw/zinc/56/84/57/851568457.db2.gz VLRGDCFEXFBUDF-SIXWZSSISA-N 1 0 397.922 3.704 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425542154 851590398 /nfs/dbraw/zinc/59/03/98/851590398.db2.gz QEYWDDDYRFRJLF-GOSISDBHSA-N 1 0 390.487 3.897 20 30 GHEDRO CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000488540941 851597204 /nfs/dbraw/zinc/59/72/04/851597204.db2.gz OWYAWLLYJSNZAQ-LJQANCHMSA-N 1 0 379.504 3.895 20 30 GHEDRO CC(C)[NH+]1CCN(CCCN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)CC1 ZINC000425539737 851598230 /nfs/dbraw/zinc/59/82/30/851598230.db2.gz UKXUOUYDDUGOQT-GOSISDBHSA-N 1 0 396.501 3.836 20 30 GHEDRO C[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC[N@@H+](C2CCC2)C1 ZINC000488713517 851718658 /nfs/dbraw/zinc/71/86/58/851718658.db2.gz LWGFONMLVUTFNW-QGZVFWFLSA-N 1 0 377.536 3.795 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329737342 862276246 /nfs/dbraw/zinc/27/62/46/862276246.db2.gz MBMBIYVGKZTSQQ-HNJRGHQBSA-N 1 0 383.540 3.588 20 30 GHEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000030508477 862283255 /nfs/dbraw/zinc/28/32/55/862283255.db2.gz AZNJWXMCHXUAJS-INIZCTEOSA-N 1 0 397.906 3.877 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000604597960 862297672 /nfs/dbraw/zinc/29/76/72/862297672.db2.gz JOPDTQACJYCATC-MJGOQNOKSA-N 1 0 379.570 3.583 20 30 GHEDRO CC[NH+]=C(NCCc1ccc2ccccc2n1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261937275 851931823 /nfs/dbraw/zinc/93/18/23/851931823.db2.gz CSAJRNPCYLTJQV-AVRDEDQJSA-N 1 0 390.535 3.522 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000505840633 851986460 /nfs/dbraw/zinc/98/64/60/851986460.db2.gz ROUQTVKAIXAFJY-QFIPXVFZSA-N 1 0 391.515 3.697 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000489141251 852042682 /nfs/dbraw/zinc/04/26/82/852042682.db2.gz QBGBXBXPJPCAJY-JOCHJYFZSA-N 1 0 377.532 3.963 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)ccc1OC ZINC000438196109 852126255 /nfs/dbraw/zinc/12/62/55/852126255.db2.gz CNAQRHVLCKOEPK-HXUWFJFHSA-N 1 0 392.503 3.943 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)[C@H]1c1cccs1 ZINC000329794352 862326486 /nfs/dbraw/zinc/32/64/86/862326486.db2.gz BWQVENLXPISFKG-RYRKJORJSA-N 1 0 387.553 3.648 20 30 GHEDRO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000329796318 862328055 /nfs/dbraw/zinc/32/80/55/862328055.db2.gz DRLWBRWXXNAMMG-JQHSSLGASA-N 1 0 392.569 3.948 20 30 GHEDRO C=CCc1cc(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)cc(OC)c1OC ZINC000436724090 852249445 /nfs/dbraw/zinc/24/94/45/852249445.db2.gz MYVZNBZAONVVST-HXUWFJFHSA-N 1 0 394.515 3.956 20 30 GHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516259029 852354541 /nfs/dbraw/zinc/35/45/41/852354541.db2.gz QNQUYZVHBCOVRZ-UHFFFAOYSA-N 1 0 387.572 3.593 20 30 GHEDRO O=C(Cn1ccc2ccccc2c1=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000329826657 862350149 /nfs/dbraw/zinc/35/01/49/862350149.db2.gz CLDWQXZDIRIZKL-UHFFFAOYSA-N 1 0 399.560 3.710 20 30 GHEDRO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(Br)cc1 ZINC000516311323 852410847 /nfs/dbraw/zinc/41/08/47/852410847.db2.gz WEJSWYVWIUVGRE-GOSISDBHSA-N 1 0 380.330 3.714 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000438453775 852418254 /nfs/dbraw/zinc/41/82/54/852418254.db2.gz HNTVPOCRITXCPC-RTWAWAEBSA-N 1 0 379.589 3.757 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000438550265 852563147 /nfs/dbraw/zinc/56/31/47/852563147.db2.gz IFFPZRBCAXVRPD-UHFFFAOYSA-N 1 0 382.552 3.719 20 30 GHEDRO Cc1csc2nc(C)nc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c12 ZINC000133039469 862372436 /nfs/dbraw/zinc/37/24/36/862372436.db2.gz NBPMFAXNJYVVAE-UHFFFAOYSA-N 1 0 377.517 3.892 20 30 GHEDRO C=C[C@@H]1CCCCN1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000426078824 852627546 /nfs/dbraw/zinc/62/75/46/852627546.db2.gz KLLNLTBYDZHIMM-OAQYLSRUSA-N 1 0 385.552 3.808 20 30 GHEDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000505963921 852717204 /nfs/dbraw/zinc/71/72/04/852717204.db2.gz ICZWKUMBUFRQDT-IAGOWNOFSA-N 1 0 393.535 3.539 20 30 GHEDRO C=CCn1cccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000490039614 852720077 /nfs/dbraw/zinc/72/00/77/852720077.db2.gz JDQHCTKKGMOYER-UHFFFAOYSA-N 1 0 392.425 3.697 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000516559417 852720636 /nfs/dbraw/zinc/72/06/36/852720636.db2.gz VILOHKBFLGMDLZ-RBUKOAKNSA-N 1 0 388.519 3.625 20 30 GHEDRO Cc1cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000507275542 852730425 /nfs/dbraw/zinc/73/04/25/852730425.db2.gz BEAVUZCAKLKZIS-UHFFFAOYSA-N 1 0 393.535 3.540 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490050223 852735480 /nfs/dbraw/zinc/73/54/80/852735480.db2.gz YEGGSOGFFZMPRV-SFHVURJKSA-N 1 0 392.503 3.935 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000505982242 852786319 /nfs/dbraw/zinc/78/63/19/852786319.db2.gz OWPAPJGVSKMXBO-IBGZPJMESA-N 1 0 385.508 3.541 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)CC(C)C ZINC000507324008 852793449 /nfs/dbraw/zinc/79/34/49/852793449.db2.gz IAKNYWNQZCKIRM-FQEVSTJZSA-N 1 0 381.524 3.539 20 30 GHEDRO Cc1cc[n+](C(C(=O)C2C=CC(=NC(=O)C(C)C)C=C2)C(=S)NC(C)C)cc1 ZINC000912836609 852807305 /nfs/dbraw/zinc/80/73/05/852807305.db2.gz YGHUOFVOMOJASX-UHFFFAOYSA-O 1 0 398.552 3.898 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc(Br)cc1C#N ZINC000383093959 852899171 /nfs/dbraw/zinc/89/91/71/852899171.db2.gz WWXKSIRBVGSIMM-HNNXBMFYSA-N 1 0 385.309 3.817 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000507422604 852901262 /nfs/dbraw/zinc/90/12/62/852901262.db2.gz BYMWFRISACCISA-VGOFRKELSA-N 1 0 385.471 3.590 20 30 GHEDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000329904009 862410248 /nfs/dbraw/zinc/41/02/48/862410248.db2.gz IRZQXLCSKLOLQT-XLIONFOSSA-N 1 0 381.524 3.578 20 30 GHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000669059206 853025349 /nfs/dbraw/zinc/02/53/49/853025349.db2.gz MXIIWGWSQKQSPG-FQEVSTJZSA-N 1 0 389.588 3.524 20 30 GHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccco1 ZINC000509594370 853027508 /nfs/dbraw/zinc/02/75/08/853027508.db2.gz FASQEKMLYACOCX-JXFKEZNVSA-N 1 0 380.492 3.955 20 30 GHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccco1 ZINC000509594372 853027565 /nfs/dbraw/zinc/02/75/65/853027565.db2.gz FASQEKMLYACOCX-OXQOHEQNSA-N 1 0 380.492 3.955 20 30 GHEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000490653021 853176751 /nfs/dbraw/zinc/17/67/51/853176751.db2.gz SIQPSMMWOYDFDD-QFIPXVFZSA-N 1 0 393.487 3.533 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506056168 853207561 /nfs/dbraw/zinc/20/75/61/853207561.db2.gz RWPWTBBIAGVKCT-UHFFFAOYSA-N 1 0 379.479 3.887 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000894859667 853242409 /nfs/dbraw/zinc/24/24/09/853242409.db2.gz YOIIYOGRRVLCPF-QHAWAJNXSA-N 1 0 382.552 3.916 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000437632394 853340466 /nfs/dbraw/zinc/34/04/66/853340466.db2.gz VCNZQZVLCJKMCI-FGZHOGPDSA-N 1 0 385.552 3.843 20 30 GHEDRO CC[NH+]=C(NCc1cccnc1Oc1cccc(F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261981331 853431914 /nfs/dbraw/zinc/43/19/14/853431914.db2.gz OXRJQRNHSPSNDX-JOCHJYFZSA-N 1 0 398.482 3.591 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c(Cl)c1 ZINC000439430064 853645514 /nfs/dbraw/zinc/64/55/14/853645514.db2.gz HMDMMBNSJRZWPB-UHFFFAOYSA-N 1 0 387.936 3.844 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729481819 853650940 /nfs/dbraw/zinc/65/09/40/853650940.db2.gz YLLFDTWVOYZGCY-APWZRJJASA-N 1 0 386.430 3.852 20 30 GHEDRO C[C@@H](SCc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044566424 853660242 /nfs/dbraw/zinc/66/02/42/853660242.db2.gz QTIXXWBIBVRNAS-GOSISDBHSA-N 1 0 381.545 3.770 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044566430 853660247 /nfs/dbraw/zinc/66/02/47/853660247.db2.gz KLLLIPBMEDBBFB-ROUUACIJSA-N 1 0 381.442 3.817 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000517351222 853697493 /nfs/dbraw/zinc/69/74/93/853697493.db2.gz JMYOZJMJAYHDFO-PMACEKPBSA-N 1 0 379.435 3.846 20 30 GHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000571095902 853740951 /nfs/dbraw/zinc/74/09/51/853740951.db2.gz FHKKRCOWDOLHOC-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1 ZINC000520173124 853914911 /nfs/dbraw/zinc/91/49/11/853914911.db2.gz MNDHLYPSKOTGLR-UHFFFAOYSA-N 1 0 379.460 3.774 20 30 GHEDRO COc1ccc(C[C@@H](CO)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1O ZINC000571567539 853952209 /nfs/dbraw/zinc/95/22/09/853952209.db2.gz PMQMBHCSNIWWOG-JVIIGWRGSA-N 1 0 394.515 3.546 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330025248 862516434 /nfs/dbraw/zinc/51/64/34/862516434.db2.gz KIKPPRIUOCXWAJ-APGKQEFDSA-N 1 0 375.557 3.776 20 30 GHEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441241839 854029352 /nfs/dbraw/zinc/02/93/52/854029352.db2.gz DZDUJSXPPKLSRV-UPRAQXHNSA-N 1 0 379.426 3.897 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000520334478 854091942 /nfs/dbraw/zinc/09/19/42/854091942.db2.gz KBTFVBJXFVNUDF-UHFFFAOYSA-N 1 0 378.476 3.597 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC2(CCC2)c2ccccc21 ZINC000330047668 862531561 /nfs/dbraw/zinc/53/15/61/862531561.db2.gz JOLAIAJYNNKPMV-RTWAWAEBSA-N 1 0 383.536 3.610 20 30 GHEDRO CC[C@H](C)n1ncc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)c1C ZINC000330058410 862539209 /nfs/dbraw/zinc/53/92/09/862539209.db2.gz YXMBEAALUQLAJW-INIZCTEOSA-N 1 0 397.523 3.577 20 30 GHEDRO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330064921 862546676 /nfs/dbraw/zinc/54/66/76/862546676.db2.gz ROXJGQCJDZGGPL-KSZLIROESA-N 1 0 380.435 3.744 20 30 GHEDRO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000572056087 854346630 /nfs/dbraw/zinc/34/66/30/854346630.db2.gz PAUZPRIXMFKDPH-VQTJNVASSA-N 1 0 385.577 3.882 20 30 GHEDRO O=C(CCn1cnc2ccccc2c1=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328690709 854511148 /nfs/dbraw/zinc/51/11/48/854511148.db2.gz DNOJXCDIMACGOD-UHFFFAOYSA-N 1 0 396.535 3.789 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)ccc1F ZINC000572479749 854518017 /nfs/dbraw/zinc/51/80/17/854518017.db2.gz HQZIITRJVNMISS-KRWDZBQOSA-N 1 0 383.442 3.755 20 30 GHEDRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1)NCC(=O)N1CCCC1 ZINC000328772924 854535829 /nfs/dbraw/zinc/53/58/29/854535829.db2.gz RPAQLROMUPMYME-UHFFFAOYSA-N 1 0 377.916 3.668 20 30 GHEDRO O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000328733198 854540752 /nfs/dbraw/zinc/54/07/52/854540752.db2.gz XWHJJKJMXSZQEU-UHFFFAOYSA-N 1 0 381.524 3.673 20 30 GHEDRO O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CC[C@H](C2CCOCC2)C1 ZINC000328826683 854552697 /nfs/dbraw/zinc/55/26/97/854552697.db2.gz SGVUPHDBRUJJHR-SFHVURJKSA-N 1 0 392.503 3.896 20 30 GHEDRO O=C(Nc1ccccc1O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000328788923 854557786 /nfs/dbraw/zinc/55/77/86/854557786.db2.gz YAFIGAKYDSLCJH-IBGZPJMESA-N 1 0 385.508 3.626 20 30 GHEDRO O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000328801348 854563028 /nfs/dbraw/zinc/56/30/28/854563028.db2.gz ZEAJPHFSVAQXGE-WOJBJXKFSA-N 1 0 387.499 3.680 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2F)n1 ZINC000328872393 854591529 /nfs/dbraw/zinc/59/15/29/854591529.db2.gz QOTHHLDBYONSDQ-GOSISDBHSA-N 1 0 399.514 3.837 20 30 GHEDRO CN1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328876861 854594445 /nfs/dbraw/zinc/59/44/45/854594445.db2.gz IEPATQCPOXTDAT-HKUYNNGSSA-N 1 0 394.466 3.503 20 30 GHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2)CC1 ZINC000328882600 854596518 /nfs/dbraw/zinc/59/65/18/854596518.db2.gz XHMMMADODLKEPL-KRWDZBQOSA-N 1 0 388.943 3.942 20 30 GHEDRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328890094 854598978 /nfs/dbraw/zinc/59/89/78/854598978.db2.gz RFMURYNYRAPZLX-OAQYLSRUSA-N 1 0 398.551 3.667 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000328936154 854608330 /nfs/dbraw/zinc/60/83/30/854608330.db2.gz JJZHQSNFVCVSDJ-BVOGOJNSSA-N 1 0 398.551 3.642 20 30 GHEDRO CC(C)[C@@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[NH+]1CCC(C)CC1 ZINC000328941827 854610150 /nfs/dbraw/zinc/61/01/50/854610150.db2.gz LFBNOVJENNPAKQ-MISYRCLQSA-N 1 0 376.545 3.601 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328979380 854639596 /nfs/dbraw/zinc/63/95/96/854639596.db2.gz QZTBCDXYTHDYJC-BQCJVYABSA-N 1 0 396.915 3.577 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1c[nH]c3ncccc13)c1ccccc1O2 ZINC000328997739 854645192 /nfs/dbraw/zinc/64/51/92/854645192.db2.gz KFDITYBDDDSMOX-GOSISDBHSA-N 1 0 376.460 3.856 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000330399338 854666890 /nfs/dbraw/zinc/66/68/90/854666890.db2.gz IRKLDSFXEJDBJE-KGLIPLIRSA-N 1 0 380.920 3.872 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(C2CC2)ccc1F ZINC000458917733 854693229 /nfs/dbraw/zinc/69/32/29/854693229.db2.gz YTHKYRGXDTYTIO-UHFFFAOYSA-N 1 0 394.494 3.848 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)C[C@H]1C ZINC000330126843 862597188 /nfs/dbraw/zinc/59/71/88/862597188.db2.gz MOCQADNDYFFJRJ-BPQIPLTHSA-N 1 0 393.503 3.734 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)[S@@](=O)[C@@H](C)C3)sc2C1 ZINC000330133487 862602251 /nfs/dbraw/zinc/60/22/51/862602251.db2.gz RESDCMCOUFTOPR-UTANKCNHSA-N 1 0 393.578 3.564 20 30 GHEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000589290831 854786019 /nfs/dbraw/zinc/78/60/19/854786019.db2.gz CTLRKYUQDIUNRF-XMMPIXPASA-N 1 0 399.494 3.757 20 30 GHEDRO COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000330989982 854792192 /nfs/dbraw/zinc/79/21/92/854792192.db2.gz SIUGSDCZRVJNPY-HNNXBMFYSA-N 1 0 375.513 3.804 20 30 GHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000589321431 854808682 /nfs/dbraw/zinc/80/86/82/854808682.db2.gz CZLJSFDRUPOURG-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000589367135 854810948 /nfs/dbraw/zinc/81/09/48/854810948.db2.gz UMIKRCAZTREIJL-QGZVFWFLSA-N 1 0 379.464 3.740 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)C[C@@H]1C ZINC000330140901 862609030 /nfs/dbraw/zinc/60/90/30/862609030.db2.gz XGPNKKQRABGBAH-QRFRQXIXSA-N 1 0 375.513 3.595 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000589364634 854830238 /nfs/dbraw/zinc/83/02/38/854830238.db2.gz JIEXCKJPTSYIKA-DLBZAZTESA-N 1 0 393.491 3.987 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)C[C@H]1C ZINC000330142550 862611277 /nfs/dbraw/zinc/61/12/77/862611277.db2.gz YITAXFRLMZCOKS-QYZOEREBSA-N 1 0 389.540 3.985 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000589502315 854911524 /nfs/dbraw/zinc/91/15/24/854911524.db2.gz OJHMLVQOZBCIBD-UHFFFAOYSA-N 1 0 387.405 3.596 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c(C(F)(F)F)c1 ZINC000589504148 854911925 /nfs/dbraw/zinc/91/19/25/854911925.db2.gz KSIYELPUJXLHQW-HXUWFJFHSA-N 1 0 389.421 3.740 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1cccc(C#N)c1 ZINC000572671510 854927497 /nfs/dbraw/zinc/92/74/97/854927497.db2.gz HPCXFOPQKGYILU-LJQANCHMSA-N 1 0 390.531 3.975 20 30 GHEDRO CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000760740602 854943550 /nfs/dbraw/zinc/94/35/50/854943550.db2.gz QUOMOOSPRXVABF-DENIHFKCSA-N 1 0 391.515 3.815 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000330163967 862627584 /nfs/dbraw/zinc/62/75/84/862627584.db2.gz VPQNZUBYOBLDOI-LJQANCHMSA-N 1 0 375.488 3.950 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1C1CCCCC1 ZINC000669335030 855024433 /nfs/dbraw/zinc/02/44/33/855024433.db2.gz ONBFFLYDXIZKPT-HKBOAZHASA-N 1 0 399.583 3.939 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000189728877 855185609 /nfs/dbraw/zinc/18/56/09/855185609.db2.gz QPEUCOBBZFDMRA-UHFFFAOYSA-N 1 0 382.426 3.675 20 30 GHEDRO C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(Cl)cc1Cl ZINC000330194720 862652848 /nfs/dbraw/zinc/65/28/48/862652848.db2.gz BFVGFAKOCSQMLH-LBPRGKRZSA-N 1 0 396.322 3.966 20 30 GHEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4ccc(C#N)cc4)C3)nc2c1 ZINC000130835348 855213275 /nfs/dbraw/zinc/21/32/75/855213275.db2.gz CNIMQKWPSVPOBX-SFHVURJKSA-N 1 0 387.487 3.951 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3cc(C)n(CCC)c3C)cs2)CC1 ZINC000057152417 855265611 /nfs/dbraw/zinc/26/56/11/855265611.db2.gz FWKUFSLOUUUEDH-UHFFFAOYSA-N 1 0 384.549 3.922 20 30 GHEDRO Cc1cccc(C2(NC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CCCC2)c1 ZINC000330221521 862672480 /nfs/dbraw/zinc/67/24/80/862672480.db2.gz REXUVPKCKHWMPL-UHFFFAOYSA-N 1 0 381.524 3.676 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000509199931 862677863 /nfs/dbraw/zinc/67/78/63/862677863.db2.gz ZIHIEGXYCPMZSP-AWEZNQCLSA-N 1 0 392.341 3.728 20 30 GHEDRO CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000330230508 862679176 /nfs/dbraw/zinc/67/91/76/862679176.db2.gz WNZDKIJHYOOLAI-FQEVSTJZSA-N 1 0 387.568 3.958 20 30 GHEDRO Cc1ccn(-c2ccccc2CNC(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000330234429 862680503 /nfs/dbraw/zinc/68/05/03/862680503.db2.gz SQWAIYKUTUPEFT-UHFFFAOYSA-N 1 0 381.524 3.545 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(F)cc(Br)c3)CC2)nc1 ZINC000590644425 855530472 /nfs/dbraw/zinc/53/04/72/855530472.db2.gz JTKPVZKYVZWPAR-UHFFFAOYSA-N 1 0 389.272 3.613 20 30 GHEDRO C[C@@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000465669443 855556543 /nfs/dbraw/zinc/55/65/43/855556543.db2.gz UAXOJVSFKUBNME-RBUKOAKNSA-N 1 0 376.504 3.925 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(F)cc1 ZINC000465681008 855577956 /nfs/dbraw/zinc/57/79/56/855577956.db2.gz GUIHOXMYWQTLDN-YPAWHYETSA-N 1 0 394.494 3.910 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000590804127 855595722 /nfs/dbraw/zinc/59/57/22/855595722.db2.gz QZGVGKJDCIXEJU-UHFFFAOYSA-N 1 0 381.480 3.987 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401307 855637517 /nfs/dbraw/zinc/63/75/17/855637517.db2.gz JTQDTAHPDYPSAB-OXQOHEQNSA-N 1 0 376.928 3.675 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@](C)(CO)c3ccccc3)sc2C1 ZINC000591014003 855722156 /nfs/dbraw/zinc/72/21/56/855722156.db2.gz KMMSQTYWSRZZGI-OYHNWAKOSA-N 1 0 397.544 3.570 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@](C)(CO)c3ccccc3)sc2C1 ZINC000591014002 855722539 /nfs/dbraw/zinc/72/25/39/855722539.db2.gz KMMSQTYWSRZZGI-NYHFZMIOSA-N 1 0 397.544 3.570 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000301621208 855728485 /nfs/dbraw/zinc/72/84/85/855728485.db2.gz FFUGYCPCTVVIGH-HOTGVXAUSA-N 1 0 379.464 3.951 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000301699130 855743190 /nfs/dbraw/zinc/74/31/90/855743190.db2.gz DRSIHVLKHICAOJ-PGRDOPGGSA-N 1 0 376.460 3.957 20 30 GHEDRO N#Cc1ccnc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000301758036 855753380 /nfs/dbraw/zinc/75/33/80/855753380.db2.gz AWZRPJHAPJQLEP-UHFFFAOYSA-N 1 0 397.438 3.753 20 30 GHEDRO N#Cc1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c([N+](=O)[O-])c1 ZINC000301924063 855782157 /nfs/dbraw/zinc/78/21/57/855782157.db2.gz KTSRPOMIFTXGOC-UHFFFAOYSA-N 1 0 391.475 3.611 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C#N)nn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301961846 855790762 /nfs/dbraw/zinc/79/07/62/855790762.db2.gz IGMKFHMCXWLWDP-RDTXWAMCSA-N 1 0 375.398 3.862 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000301999751 855796657 /nfs/dbraw/zinc/79/66/57/855796657.db2.gz VODAKBDTNQXTJD-IRXDYDNUSA-N 1 0 396.510 3.880 20 30 GHEDRO COc1ccc([C@@H](CNc2nc3ccccn3c2C#N)[NH+]2CCCCC2)cc1 ZINC000302082161 855814108 /nfs/dbraw/zinc/81/41/08/855814108.db2.gz JNNMHENXDNKGRK-HXUWFJFHSA-N 1 0 375.476 3.854 20 30 GHEDRO N#Cc1ccnc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000302089561 855814125 /nfs/dbraw/zinc/81/41/25/855814125.db2.gz APMXCHYGWQRAQE-GBESFXJTSA-N 1 0 377.448 3.574 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000520618616 855814938 /nfs/dbraw/zinc/81/49/38/855814938.db2.gz HJHSNZGANYUQJL-JOCHJYFZSA-N 1 0 398.551 3.622 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000302225422 855842609 /nfs/dbraw/zinc/84/26/09/855842609.db2.gz VIWYHSHKRNCXAW-HOTGVXAUSA-N 1 0 380.448 3.688 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000591277676 855880155 /nfs/dbraw/zinc/88/01/55/855880155.db2.gz USNNTBAXIGVPQX-SFHVURJKSA-N 1 0 391.475 3.599 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171147264 855981355 /nfs/dbraw/zinc/98/13/55/855981355.db2.gz OUUKRGNZKVWRQQ-UHFFFAOYSA-N 1 0 392.507 3.582 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 ZINC000520682755 856012477 /nfs/dbraw/zinc/01/24/77/856012477.db2.gz NHVFXWMGEAEFNY-UHFFFAOYSA-N 1 0 398.576 3.738 20 30 GHEDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1 ZINC000148856835 856039587 /nfs/dbraw/zinc/03/95/87/856039587.db2.gz FLYRICGOCFQKFE-SJLPKXTDSA-N 1 0 382.533 3.892 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OC[C@H]2CCCCO2)CC1 ZINC000520697788 856047934 /nfs/dbraw/zinc/04/79/34/856047934.db2.gz SGTFTFXJVSSTQR-LJQANCHMSA-N 1 0 387.524 3.797 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000123192865 856076910 /nfs/dbraw/zinc/07/69/10/856076910.db2.gz FVHOISVMKJTCFL-LAUBAEHRSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000123193087 856077433 /nfs/dbraw/zinc/07/74/33/856077433.db2.gz FVHOISVMKJTCFL-UTKZUKDTSA-N 1 0 377.488 3.692 20 30 GHEDRO COc1ccccc1[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000171292331 856078182 /nfs/dbraw/zinc/07/81/82/856078182.db2.gz JCKVRYZHMJOXNW-SFHVURJKSA-N 1 0 379.504 3.651 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc2ccccc2o1 ZINC000123197169 856081366 /nfs/dbraw/zinc/08/13/66/856081366.db2.gz HPBHDTGENJFGCA-UHFFFAOYSA-N 1 0 376.460 3.578 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000441741337 856161599 /nfs/dbraw/zinc/16/15/99/856161599.db2.gz OQRIIIQUAWRQSP-SCLBCKFNSA-N 1 0 389.377 3.913 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000554839873 856224413 /nfs/dbraw/zinc/22/44/13/856224413.db2.gz RWVXGIYVHVQEQO-GOSISDBHSA-N 1 0 388.556 3.852 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000554840769 856229286 /nfs/dbraw/zinc/22/92/86/856229286.db2.gz DSYNLMQLBHNGGN-ZIAGYGMSSA-N 1 0 391.393 3.985 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000591763850 856231852 /nfs/dbraw/zinc/23/18/52/856231852.db2.gz MSIBTNPRZJOOMF-LIRRHRJNSA-N 1 0 377.271 3.882 20 30 GHEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000591727754 856233955 /nfs/dbraw/zinc/23/39/55/856233955.db2.gz FWBUYVZWRGLALY-YLJYHZDGSA-N 1 0 392.330 3.879 20 30 GHEDRO C#CC[N@@H+](CCCc1cnn(C)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195195 862774107 /nfs/dbraw/zinc/77/41/07/862774107.db2.gz GWHUBJKKDSBQKO-GOSISDBHSA-N 1 0 388.309 3.574 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]([NH+]3CCN(c4ccc(C#N)cc4)CC3)CCO2)cc1 ZINC001168662437 856294323 /nfs/dbraw/zinc/29/43/23/856294323.db2.gz OJBHVYHLFBBGNO-JTHBVZDNSA-N 1 0 377.488 3.609 20 30 GHEDRO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485300487 856330191 /nfs/dbraw/zinc/33/01/91/856330191.db2.gz JGDDNEGBZWAOMV-OAQYLSRUSA-N 1 0 377.488 3.630 20 30 GHEDRO O=C(CC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)Nc1cc(F)cc(F)c1 ZINC000674498396 856351868 /nfs/dbraw/zinc/35/18/68/856351868.db2.gz YLJRYRALZMADSO-RYUDHWBXSA-N 1 0 390.274 3.966 20 30 GHEDRO N#Cc1cc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)ccc1F ZINC000485332771 856359337 /nfs/dbraw/zinc/35/93/37/856359337.db2.gz SBFSINQMUYWFJT-UHFFFAOYSA-N 1 0 376.501 3.571 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000591923919 856402242 /nfs/dbraw/zinc/40/22/42/856402242.db2.gz PFFAHZPYKIBAKW-OALUTQOASA-N 1 0 384.911 3.940 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061011572 856416948 /nfs/dbraw/zinc/41/69/48/856416948.db2.gz FEDSISXJACYILU-UHFFFAOYSA-N 1 0 376.504 3.934 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000485416636 856463050 /nfs/dbraw/zinc/46/30/50/856463050.db2.gz UCTOGVZUZQTSPX-HRSBRNJNSA-N 1 0 375.472 3.596 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)CC1 ZINC000592068725 856650848 /nfs/dbraw/zinc/65/08/48/856650848.db2.gz VCEPPTGUOMTFMY-UHFFFAOYSA-N 1 0 376.500 3.915 20 30 GHEDRO COCC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000467265127 856654183 /nfs/dbraw/zinc/65/41/83/856654183.db2.gz TUCJGWAGMFFOAB-ZWKOTPCHSA-N 1 0 375.488 3.599 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)c1cccc(C)c1 ZINC000905889419 856670016 /nfs/dbraw/zinc/67/00/16/856670016.db2.gz LDCYCISYZYQVQN-LJQANCHMSA-N 1 0 386.565 3.627 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)c(C#N)c1C ZINC000592178354 856763321 /nfs/dbraw/zinc/76/33/21/856763321.db2.gz YTBCCHQOLIANSP-HXUWFJFHSA-N 1 0 395.528 3.835 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c(OC)c1 ZINC000605153858 862840070 /nfs/dbraw/zinc/84/00/70/862840070.db2.gz CWCOKEOIFDKYHO-OFNKIYASSA-N 1 0 399.556 3.954 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000733322763 862864687 /nfs/dbraw/zinc/86/46/87/862864687.db2.gz UEBBARAHPVCHSO-XMMPIXPASA-N 1 0 378.516 3.560 20 30 GHEDRO CCc1nccn1[C@H](C)CC(=O)N[C@H](C#N)c1ccccc1Br ZINC000592764198 857078575 /nfs/dbraw/zinc/07/85/75/857078575.db2.gz WJGFOBFXAQTRPK-IUODEOHRSA-N 1 0 375.270 3.540 20 30 GHEDRO C=CCC1([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000668551291 857107315 /nfs/dbraw/zinc/10/73/15/857107315.db2.gz JKGJWCVFOPMZCU-AWEZNQCLSA-N 1 0 381.314 3.881 20 30 GHEDRO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)ccc1C#N ZINC000488984413 857111659 /nfs/dbraw/zinc/11/16/59/857111659.db2.gz PVAZZPXCJWQZAZ-QGZVFWFLSA-N 1 0 383.517 3.600 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccccc2N2CCOCC2)ccc1OC ZINC000733330378 862873914 /nfs/dbraw/zinc/87/39/14/862873914.db2.gz VRPQOARDZOCHJH-HXUWFJFHSA-N 1 0 395.503 3.503 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1c1ccc(O)cc1 ZINC000451095836 857138429 /nfs/dbraw/zinc/13/84/29/857138429.db2.gz KJEVJOOYZVVXIE-VQTJNVASSA-N 1 0 378.472 3.582 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000112532128 857146846 /nfs/dbraw/zinc/14/68/46/857146846.db2.gz OPLKVUWSNRTUMG-NWDGAFQWSA-N 1 0 384.461 3.694 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CCCOC1 ZINC000593066844 857183039 /nfs/dbraw/zinc/18/30/39/857183039.db2.gz GURJDVIOPPQRIW-GJZGRUSLSA-N 1 0 375.538 3.574 20 30 GHEDRO Cc1ccc2[nH]cc(CCC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2c1 ZINC000174350480 857261725 /nfs/dbraw/zinc/26/17/25/857261725.db2.gz ABYXIUXBZRTVRU-UHFFFAOYSA-N 1 0 388.515 3.871 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000906946895 857406644 /nfs/dbraw/zinc/40/66/44/857406644.db2.gz GWJPMFBNXPSGKQ-UHFFFAOYSA-N 1 0 391.515 3.561 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSCc1ccc(C#N)cc1 ZINC000174926483 857408020 /nfs/dbraw/zinc/40/80/20/857408020.db2.gz DZWQSGPCQASOGC-JOCHJYFZSA-N 1 0 393.556 3.772 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000593275140 857475537 /nfs/dbraw/zinc/47/55/37/857475537.db2.gz DONNWESPHKRNMS-UHFFFAOYSA-N 1 0 397.544 3.927 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466628712 862918804 /nfs/dbraw/zinc/91/88/04/862918804.db2.gz RKULXCFGZPSYSE-IAGOWNOFSA-N 1 0 387.528 3.642 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593534225 857615751 /nfs/dbraw/zinc/61/57/51/857615751.db2.gz ISIMYYZTPDRRLM-ZHALLVOQSA-N 1 0 389.565 3.514 20 30 GHEDRO N#CC1(C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CCCC1 ZINC000593654788 857648152 /nfs/dbraw/zinc/64/81/52/857648152.db2.gz OHSLXOOIUQRBJV-UHFFFAOYSA-N 1 0 389.927 3.820 20 30 GHEDRO C=C(C)[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000907460228 857654249 /nfs/dbraw/zinc/65/42/49/857654249.db2.gz BVULQDWSJPSNFY-LAGYLCCXSA-N 1 0 378.463 3.589 20 30 GHEDRO C#CCOc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC001129126930 857680094 /nfs/dbraw/zinc/68/00/94/857680094.db2.gz NFPIKOPYLHSIAC-QHCPKHFHSA-N 1 0 376.500 3.678 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)CC1 ZINC000046404206 857681326 /nfs/dbraw/zinc/68/13/26/857681326.db2.gz MKKGHYCQGQAOLN-UHFFFAOYSA-N 1 0 394.544 3.572 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)CNc2cccc(C#N)c2)CC1 ZINC000482319577 862941425 /nfs/dbraw/zinc/94/14/25/862941425.db2.gz QXSUGBSTOJGONA-UHFFFAOYSA-N 1 0 376.504 3.518 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000521194954 857717097 /nfs/dbraw/zinc/71/70/97/857717097.db2.gz FPGNVYDJLHWICV-UHFFFAOYSA-N 1 0 383.495 3.919 20 30 GHEDRO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000521194420 857739344 /nfs/dbraw/zinc/73/93/44/857739344.db2.gz QECJGXAWMYJGHG-JOCHJYFZSA-N 1 0 377.488 3.800 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000922113213 857897918 /nfs/dbraw/zinc/89/79/18/857897918.db2.gz UPSNMRUPECPAFA-KRWDZBQOSA-N 1 0 399.292 3.717 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000486616540 857917095 /nfs/dbraw/zinc/91/70/95/857917095.db2.gz GPJZSJLBKHTHAV-YJBOKZPZSA-N 1 0 390.325 3.785 20 30 GHEDRO Cc1cc(OC(F)F)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000114237917 857951253 /nfs/dbraw/zinc/95/12/53/857951253.db2.gz ZKMJOIXWYCGPTH-UHFFFAOYSA-N 1 0 393.459 3.734 20 30 GHEDRO C=CCN1C(=O)N(CCCC[N@H+]2CCCC[C@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000761050438 857989153 /nfs/dbraw/zinc/98/91/53/857989153.db2.gz LFIQYZPTNYTMRL-CTNGQTDRSA-N 1 0 383.536 3.703 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCC1CCC(C#N)CC1 ZINC000442648916 858025769 /nfs/dbraw/zinc/02/57/69/858025769.db2.gz NCZDJVNTFVKAPU-UVHRUJRTSA-N 1 0 382.552 3.772 20 30 GHEDRO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000330338979 862989215 /nfs/dbraw/zinc/98/92/15/862989215.db2.gz WCPIQGTZTRZIQX-MPSQCAORSA-N 1 0 395.551 3.582 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N1CC[C@]2(CCOC2)C1 ZINC000158054152 858152969 /nfs/dbraw/zinc/15/29/69/858152969.db2.gz NUQQPXCSSDIWIE-XJUOHMSHSA-N 1 0 385.552 3.541 20 30 GHEDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000574755411 858161462 /nfs/dbraw/zinc/16/14/62/858161462.db2.gz MFPUBJUTWXARJF-IRXDYDNUSA-N 1 0 392.381 3.935 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000114682842 858167600 /nfs/dbraw/zinc/16/76/00/858167600.db2.gz VCROCQMOGPGDEU-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000594428404 858174542 /nfs/dbraw/zinc/17/45/42/858174542.db2.gz NGFODVVITQQLAR-OAHLLOKOSA-N 1 0 379.386 3.549 20 30 GHEDRO CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594433829 858176497 /nfs/dbraw/zinc/17/64/97/858176497.db2.gz HVJRSHLIYDVEEI-KVZIAJEVSA-N 1 0 385.508 3.734 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438539 858177313 /nfs/dbraw/zinc/17/73/13/858177313.db2.gz OJHFPVHGMQBCRD-INIZCTEOSA-N 1 0 382.277 3.514 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000594426084 858185311 /nfs/dbraw/zinc/18/53/11/858185311.db2.gz PHUVVKMWSVUHQT-OAQYLSRUSA-N 1 0 387.487 3.567 20 30 GHEDRO Cc1cc(CN(C)C(=O)[C@H]([NH3+])CCCCC#N)cc(C)c1OCC(F)(F)F ZINC000594427178 858185600 /nfs/dbraw/zinc/18/56/00/858185600.db2.gz HSRDCQXILYKARS-MRXNPFEDSA-N 1 0 385.430 3.614 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442869466 858186929 /nfs/dbraw/zinc/18/69/29/858186929.db2.gz AZYKWFNMUUAJKL-WWDZGPRUSA-N 1 0 377.554 3.698 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594493031 858189259 /nfs/dbraw/zinc/18/92/59/858189259.db2.gz DJBKCXMEFOWEEY-UHFFFAOYSA-N 1 0 399.560 3.808 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000594495820 858191394 /nfs/dbraw/zinc/19/13/94/858191394.db2.gz CXMJNFCDRMFLDU-QFIPXVFZSA-N 1 0 391.515 3.686 20 30 GHEDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496770 858192524 /nfs/dbraw/zinc/19/25/24/858192524.db2.gz UXLHREPXMHWMKU-UHFFFAOYSA-N 1 0 399.560 3.854 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517665 858206980 /nfs/dbraw/zinc/20/69/80/858206980.db2.gz ZZQCUZHPHMVDCF-HNNXBMFYSA-N 1 0 378.432 3.853 20 30 GHEDRO CCOC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000158107419 858311145 /nfs/dbraw/zinc/31/11/45/858311145.db2.gz ZNVSPPFDAURHGJ-UHFFFAOYSA-N 1 0 378.472 3.912 20 30 GHEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000521820475 858354533 /nfs/dbraw/zinc/35/45/33/858354533.db2.gz ASVRATOKZUYESI-QFIPXVFZSA-N 1 0 377.488 3.800 20 30 GHEDRO CC(C)C[N@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000521822240 858356012 /nfs/dbraw/zinc/35/60/12/858356012.db2.gz GNSDRVBPUWDKRN-UHFFFAOYSA-N 1 0 375.516 3.864 20 30 GHEDRO CCN1CC[NH+](C[C@@H](C)CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000439109934 858393754 /nfs/dbraw/zinc/39/37/54/858393754.db2.gz SEMFYAAYVFSGIJ-ZDUSSCGKSA-N 1 0 399.764 3.660 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000595109525 858407425 /nfs/dbraw/zinc/40/74/25/858407425.db2.gz JLXWSHMQEFMILU-SFHVURJKSA-N 1 0 399.541 3.840 20 30 GHEDRO COc1ccc([C@H]2[C@H](COC(=O)Cc3ccccc3CC#N)CC[N@@H+]2C)cc1 ZINC000761103761 858441836 /nfs/dbraw/zinc/44/18/36/858441836.db2.gz AAROHMKMYOAKIF-REWPJTCUSA-N 1 0 378.472 3.540 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595235138 858448139 /nfs/dbraw/zinc/44/81/39/858448139.db2.gz RCXLQHDHOCVWKF-YPAWHYETSA-N 1 0 390.487 3.651 20 30 GHEDRO N#CCCC[C@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000595245170 858450628 /nfs/dbraw/zinc/45/06/28/858450628.db2.gz GWFVMLWAQKPAPM-SFTDATJTSA-N 1 0 378.476 3.904 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595269528 858457775 /nfs/dbraw/zinc/45/77/75/858457775.db2.gz CBUBXDLZYYAQAG-ODAXIHTASA-N 1 0 388.515 3.613 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](c3cccnc3)C2)c1C#N ZINC000575043225 858502261 /nfs/dbraw/zinc/50/22/61/858502261.db2.gz PMLYCAQWRVMMBR-IBGZPJMESA-N 1 0 391.519 3.915 20 30 GHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCc3ccc(C#N)cc3)C2)cc1 ZINC000595370723 858519142 /nfs/dbraw/zinc/51/91/42/858519142.db2.gz OQKUPHJEIGXPGA-NRFANRHFSA-N 1 0 376.504 3.943 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000595484705 858533197 /nfs/dbraw/zinc/53/31/97/858533197.db2.gz NDVZYSVDOVNJKB-HSZRJFAPSA-N 1 0 375.516 3.704 20 30 GHEDRO CC(C)Oc1ccnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000593017679 858536834 /nfs/dbraw/zinc/53/68/34/858536834.db2.gz HTDCFQDLWZQJKC-UHFFFAOYSA-N 1 0 378.476 3.591 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC[C@H]21 ZINC000248135146 858542548 /nfs/dbraw/zinc/54/25/48/858542548.db2.gz OXZSCLKJORSUMU-FCHUYYIVSA-N 1 0 389.499 3.694 20 30 GHEDRO Cc1sc(NC(=O)CN2CCC=C(c3cn(C(C)C)nn3)CC2)c(C#N)c1C ZINC000595526530 858552551 /nfs/dbraw/zinc/55/25/51/858552551.db2.gz TZRAOSMJCWZTBD-UHFFFAOYSA-N 1 0 398.536 3.527 20 30 GHEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000605408482 863041596 /nfs/dbraw/zinc/04/15/96/863041596.db2.gz RNTOQODNPSEKLJ-FQEVSTJZSA-N 1 0 397.544 3.722 20 30 GHEDRO COc1ccc(CN(C(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000595641457 858635911 /nfs/dbraw/zinc/63/59/11/858635911.db2.gz MTEQAVCCGCDEII-UHFFFAOYSA-N 1 0 377.488 3.583 20 30 GHEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595736161 858669590 /nfs/dbraw/zinc/66/95/90/858669590.db2.gz WYHNKDNBKGTNII-UHFFFAOYSA-N 1 0 376.508 3.790 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000595819915 858682432 /nfs/dbraw/zinc/68/24/32/858682432.db2.gz RDERVBWNOBBMJN-KNXWPPODSA-N 1 0 375.488 3.837 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2ccccc2I)CCCC1 ZINC000595780144 858685497 /nfs/dbraw/zinc/68/54/97/858685497.db2.gz JECPHVZZBXKDBJ-UHFFFAOYSA-N 1 0 384.261 3.708 20 30 GHEDRO CC1(C#N)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595836569 858690616 /nfs/dbraw/zinc/69/06/16/858690616.db2.gz WQXCSQYWVYQYTO-FQEVSTJZSA-N 1 0 380.536 3.624 20 30 GHEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)[C@@H]2C1 ZINC000615182420 858723107 /nfs/dbraw/zinc/72/31/07/858723107.db2.gz JBHXGXFYTQVZHD-DGCLKSJQSA-N 1 0 398.322 3.752 20 30 GHEDRO Cc1c(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cccc1[N+](=O)[O-] ZINC000593136791 858752988 /nfs/dbraw/zinc/75/29/88/858752988.db2.gz VHVXWSFTHVJBJW-UHFFFAOYSA-N 1 0 393.447 3.561 20 30 GHEDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593137284 858754075 /nfs/dbraw/zinc/75/40/75/858754075.db2.gz WBCNXNPTRXHCCP-UHFFFAOYSA-N 1 0 386.293 3.606 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000183516948 858764211 /nfs/dbraw/zinc/76/42/11/858764211.db2.gz HSDARTSHCXYIBV-LJQANCHMSA-N 1 0 398.551 3.887 20 30 GHEDRO CCc1nc(C#N)cc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000596062082 858768229 /nfs/dbraw/zinc/76/82/29/858768229.db2.gz HGGGVEYPUODOMQ-UHFFFAOYSA-N 1 0 389.425 3.642 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N2CCC[C@H](CC#N)C2)[NH+]2CCCCC2)cc1 ZINC000596090673 858779840 /nfs/dbraw/zinc/77/98/40/858779840.db2.gz RROPNXXXAUCGHJ-NQIIRXRSSA-N 1 0 384.524 3.557 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2nc(C#N)c(Cl)s2)cc1 ZINC000596129253 858787038 /nfs/dbraw/zinc/78/70/38/858787038.db2.gz SCHGBMODJVSIPT-UHFFFAOYSA-N 1 0 378.885 3.532 20 30 GHEDRO COc1cccc([C@H]2[C@H](Nc3nc4ncccc4cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000596186023 858801792 /nfs/dbraw/zinc/80/17/92/858801792.db2.gz IQUCEUZJJIWRBE-RTWAWAEBSA-N 1 0 385.471 3.900 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000429676150 858813153 /nfs/dbraw/zinc/81/31/53/858813153.db2.gz ZSPRMVJMIPPSDO-LJQANCHMSA-N 1 0 391.515 3.839 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(CC#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000183762674 858814643 /nfs/dbraw/zinc/81/46/43/858814643.db2.gz BMIZZVPZTCMLDP-YADHBBJMSA-N 1 0 390.487 3.861 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cccc(OCCF)c3)CC2)c1 ZINC000593169798 858871354 /nfs/dbraw/zinc/87/13/54/858871354.db2.gz NXJPQNZCYXVAFY-UHFFFAOYSA-N 1 0 396.466 3.693 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000028922682 858913455 /nfs/dbraw/zinc/91/34/55/858913455.db2.gz DXWSEHIGNLRNOV-KBXCAEBGSA-N 1 0 378.394 3.862 20 30 GHEDRO CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CC[N@H+](CC)C1 ZINC000596457167 858915467 /nfs/dbraw/zinc/91/54/67/858915467.db2.gz KXJYLHBUNXEUGI-QGZVFWFLSA-N 1 0 383.521 3.554 20 30 GHEDRO COCCc1ccccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593185147 858927110 /nfs/dbraw/zinc/92/71/10/858927110.db2.gz IUUYZPKSHHWVAT-UHFFFAOYSA-N 1 0 392.503 3.533 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000596574868 858942431 /nfs/dbraw/zinc/94/24/31/858942431.db2.gz NPSORNIVGDBLPM-WMLDXEAASA-N 1 0 382.430 3.643 20 30 GHEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C12CCOCC2 ZINC000923033836 858969210 /nfs/dbraw/zinc/96/92/10/858969210.db2.gz KYTVGPFUXNDDNA-VXKWHMMOSA-N 1 0 397.563 3.869 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160545528 858998270 /nfs/dbraw/zinc/99/82/70/858998270.db2.gz LVSDEPIJFJQDQF-QFIPXVFZSA-N 1 0 389.503 3.677 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccccc1 ZINC000556997065 881371315 /nfs/dbraw/zinc/37/13/15/881371315.db2.gz JNYZYNKNIYCETE-CGTJXYLNSA-N 1 0 376.460 3.860 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1C#N ZINC000466669863 859034175 /nfs/dbraw/zinc/03/41/75/859034175.db2.gz HTWIVOHUCFRBNU-HUUCEWRRSA-N 1 0 382.483 3.975 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000596723872 859055261 /nfs/dbraw/zinc/05/52/61/859055261.db2.gz NXLZTPDBEZGYPV-INIZCTEOSA-N 1 0 386.402 3.556 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000522337241 859085388 /nfs/dbraw/zinc/08/53/88/859085388.db2.gz XJVLLUVNSXSBJN-IBGZPJMESA-N 1 0 395.482 3.549 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000596879620 859121200 /nfs/dbraw/zinc/12/12/00/859121200.db2.gz CKMALCMFSWFLIQ-JOCHJYFZSA-N 1 0 394.494 3.893 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000453714548 881388136 /nfs/dbraw/zinc/38/81/36/881388136.db2.gz WQYYZNFXCLXGAQ-OAQYLSRUSA-N 1 0 393.487 3.768 20 30 GHEDRO CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000068825285 859215456 /nfs/dbraw/zinc/21/54/56/859215456.db2.gz OZNYFKUEOUSEDY-KRWDZBQOSA-N 1 0 386.517 3.814 20 30 GHEDRO C[C@@H](CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000543307541 859236824 /nfs/dbraw/zinc/23/68/24/859236824.db2.gz MIVCSKWPCCLFAB-INIZCTEOSA-N 1 0 381.442 3.621 20 30 GHEDRO N#CC1(NC(=O)c2cccc3cccc(O)c32)CC[NH+](Cc2ccccc2)CC1 ZINC000601413241 859245209 /nfs/dbraw/zinc/24/52/09/859245209.db2.gz WBRFBDRHTUVHMJ-UHFFFAOYSA-N 1 0 385.467 3.834 20 30 GHEDRO CCCOc1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000483272548 859245516 /nfs/dbraw/zinc/24/55/16/859245516.db2.gz QREJCQHJCXGRDG-UHFFFAOYSA-N 1 0 386.517 3.646 20 30 GHEDRO CN(C)c1cc(F)cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593273396 859254302 /nfs/dbraw/zinc/25/43/02/859254302.db2.gz JWGUCQAATGPIPH-UHFFFAOYSA-N 1 0 395.482 3.549 20 30 GHEDRO COc1ccccc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593294295 859305833 /nfs/dbraw/zinc/30/58/33/859305833.db2.gz JWRCXLWCCWIXIB-QGZVFWFLSA-N 1 0 392.503 3.592 20 30 GHEDRO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483412930 859347951 /nfs/dbraw/zinc/34/79/51/859347951.db2.gz SVDWKVDMUMEIQU-KUHUBIRLSA-N 1 0 381.442 3.767 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000429433383 859358440 /nfs/dbraw/zinc/35/84/40/859358440.db2.gz YBWSYHKHNVSRHC-UKRRQHHQSA-N 1 0 391.284 3.962 20 30 GHEDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000597235978 859369428 /nfs/dbraw/zinc/36/94/28/859369428.db2.gz LJVKFLJWSVAWNN-KNQAVFIVSA-N 1 0 380.492 3.675 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)cnc12 ZINC000597224057 859375910 /nfs/dbraw/zinc/37/59/10/859375910.db2.gz CRGVQZKXTGTZCX-UHFFFAOYSA-N 1 0 379.308 3.744 20 30 GHEDRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000597225943 859377793 /nfs/dbraw/zinc/37/77/93/859377793.db2.gz HQZCDXBYFHDGPH-XZOQPEGZSA-N 1 0 389.503 3.707 20 30 GHEDRO COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000601622043 859383506 /nfs/dbraw/zinc/38/35/06/859383506.db2.gz QUMKYLFUVABXNS-OAQYLSRUSA-N 1 0 381.476 3.671 20 30 GHEDRO C[C@H]1C[C@H]1c1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593315431 859385456 /nfs/dbraw/zinc/38/54/56/859385456.db2.gz GNDMNFUWXALVCY-HRAATJIYSA-N 1 0 392.503 3.738 20 30 GHEDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)s1 ZINC000597253178 859399128 /nfs/dbraw/zinc/39/91/28/859399128.db2.gz LABDMEKXPGBUJR-QGZVFWFLSA-N 1 0 399.516 3.992 20 30 GHEDRO C[C@H](Cc1ccccc1F)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320102 859417876 /nfs/dbraw/zinc/41/78/76/859417876.db2.gz OWVNXIOYGWEIIR-QGZVFWFLSA-N 1 0 394.494 3.592 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1oc(C)nc1C)[n+]1ccc2c(c1)CCCC2 ZINC000764431263 859446095 /nfs/dbraw/zinc/44/60/95/859446095.db2.gz ZLWKQWDXXCYUTG-UHFFFAOYSA-O 1 0 384.525 3.835 20 30 GHEDRO Cc1ccc2nc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)ccc2c1 ZINC000593347853 859519119 /nfs/dbraw/zinc/51/91/19/859519119.db2.gz GZRMMTMUHJELLU-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC2(COc3ccc(C(F)(F)F)cc32)CC1 ZINC001183045145 912212250 /nfs/dbraw/zinc/21/22/50/912212250.db2.gz UVXYRNALTZEKBR-UHFFFAOYSA-N 1 0 394.437 3.610 20 30 GHEDRO CSc1cccc(F)c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352284 859533605 /nfs/dbraw/zinc/53/36/05/859533605.db2.gz YCEMHZOXOVZLPM-UHFFFAOYSA-N 1 0 383.492 3.814 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4ncsc4c3)CC2)c1 ZINC000593354080 859551056 /nfs/dbraw/zinc/55/10/56/859551056.db2.gz WOMSGQMIWVDUIO-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3CCOc4ccccc43)CC2)c1 ZINC000593354284 859552717 /nfs/dbraw/zinc/55/27/17/859552717.db2.gz OLOAJHSZPOKWCF-FQEVSTJZSA-N 1 0 389.499 3.595 20 30 GHEDRO Cc1ccc(CC[C@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593356710 859574386 /nfs/dbraw/zinc/57/43/86/859574386.db2.gz LSSDAEIDTIQRBI-KRWDZBQOSA-N 1 0 394.519 3.745 20 30 GHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000483727606 859582884 /nfs/dbraw/zinc/58/28/84/859582884.db2.gz PEFORAOZASPUJO-RRQGHBQHSA-N 1 0 375.538 3.763 20 30 GHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000483727607 859583315 /nfs/dbraw/zinc/58/33/15/859583315.db2.gz PEFORAOZASPUJO-XOKHGSTOSA-N 1 0 375.538 3.763 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001141814637 859611420 /nfs/dbraw/zinc/61/14/20/859611420.db2.gz LPWBKEQBYZPZCL-PMACEKPBSA-N 1 0 382.305 3.779 20 30 GHEDRO CC1(C(=O)N2CCCC2)CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC001141814649 859611573 /nfs/dbraw/zinc/61/15/73/859611573.db2.gz LUILQTFORDIQIA-UHFFFAOYSA-N 1 0 390.325 3.545 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CC3(C2)CC(F)(F)C3)sc2c1CCCCC2 ZINC000611180370 859634991 /nfs/dbraw/zinc/63/49/91/859634991.db2.gz FPCMAZKZNHRZKT-UHFFFAOYSA-N 1 0 379.476 3.948 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@@H]1C ZINC000611226770 859650785 /nfs/dbraw/zinc/65/07/85/859650785.db2.gz KHKCBXLDIYLYCQ-HOTGVXAUSA-N 1 0 379.464 3.692 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)NCC34CCC[NH+]3CCC4)cc2)cc1 ZINC000597587428 859651468 /nfs/dbraw/zinc/65/14/68/859651468.db2.gz TZSODXGTIHAUKT-UHFFFAOYSA-N 1 0 375.472 3.903 20 30 GHEDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000597603947 859663363 /nfs/dbraw/zinc/66/33/63/859663363.db2.gz GKMCPHWUKCLVPD-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 ZINC000601970403 859683359 /nfs/dbraw/zinc/68/33/59/859683359.db2.gz XAHUUHBRJLAUNG-ZDUSSCGKSA-N 1 0 376.806 3.520 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611350193 859713730 /nfs/dbraw/zinc/71/37/30/859713730.db2.gz DRMMLQPJHSPNRZ-QYZOEREBSA-N 1 0 387.499 3.599 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350192 859714022 /nfs/dbraw/zinc/71/40/22/859714022.db2.gz DRMMLQPJHSPNRZ-QRVBRYPASA-N 1 0 387.499 3.599 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611351008 859715010 /nfs/dbraw/zinc/71/50/10/859715010.db2.gz XVIHYJKQLJVGGI-OAGGEKHMSA-N 1 0 375.900 3.677 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C2)CC1 ZINC000597666488 859715398 /nfs/dbraw/zinc/71/53/98/859715398.db2.gz KGHYNGBZOYFBIW-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1)CC(C)C ZINC000611360407 859727094 /nfs/dbraw/zinc/72/70/94/859727094.db2.gz QQKIVJNGWKTHIZ-UHFFFAOYSA-N 1 0 388.531 3.987 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1cccc(C#N)c1 ZINC000611386615 859731626 /nfs/dbraw/zinc/73/16/26/859731626.db2.gz PXDTYPXTOADVLA-MRXNPFEDSA-N 1 0 397.548 3.536 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)c1cccc(C#N)c1 ZINC000611388476 859732902 /nfs/dbraw/zinc/73/29/02/859732902.db2.gz IMIALTIFOCBOMD-OAHLLOKOSA-N 1 0 375.394 3.800 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000611391228 859741284 /nfs/dbraw/zinc/74/12/84/859741284.db2.gz FQAIRQMKJSSJEH-VXKWHMMOSA-N 1 0 375.472 3.843 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)C2 ZINC000593406198 859755844 /nfs/dbraw/zinc/75/58/44/859755844.db2.gz DURBMUNCSGIIHY-HXUWFJFHSA-N 1 0 388.515 3.886 20 30 GHEDRO COc1ccccc1OCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000611438305 859760449 /nfs/dbraw/zinc/76/04/49/859760449.db2.gz NHXDISCSWUYQMU-UHFFFAOYSA-N 1 0 379.504 3.590 20 30 GHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000611530481 859802024 /nfs/dbraw/zinc/80/20/24/859802024.db2.gz DCTDIHFCPBYTOZ-IBGZPJMESA-N 1 0 379.464 3.549 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499183424 881469286 /nfs/dbraw/zinc/46/92/86/881469286.db2.gz BHZSAXBOKMQFPT-ICSRJNTNSA-N 1 0 397.519 3.523 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508908919 859866739 /nfs/dbraw/zinc/86/67/39/859866739.db2.gz WRNDFFYCMOWVLM-QFBILLFUSA-N 1 0 387.503 3.520 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000597920907 859928700 /nfs/dbraw/zinc/92/87/00/859928700.db2.gz CJPGPQZXWMWABA-HXUWFJFHSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1c2ccccc2[nH]c1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000895775358 859929627 /nfs/dbraw/zinc/92/96/27/859929627.db2.gz WQCSFDVHQSJEHO-UHFFFAOYSA-N 1 0 384.483 3.702 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000597925492 859932385 /nfs/dbraw/zinc/93/23/85/859932385.db2.gz WAQWIRFCDIHHRH-FQEVSTJZSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000161405984 859933731 /nfs/dbraw/zinc/93/37/31/859933731.db2.gz FLOJFBFYUHXXAH-UHFFFAOYSA-N 1 0 398.551 3.767 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000484387132 859983679 /nfs/dbraw/zinc/98/36/79/859983679.db2.gz JMBUEQKFDZZNDI-GOSISDBHSA-N 1 0 380.330 3.672 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C[C@H]1C(F)(F)F ZINC000895862502 860001227 /nfs/dbraw/zinc/00/12/27/860001227.db2.gz XPBVRZBNDNLEDK-WNRNVDISSA-N 1 0 380.410 3.525 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000602450927 860026634 /nfs/dbraw/zinc/02/66/34/860026634.db2.gz CHUCQERFXPSVFY-FQEVSTJZSA-N 1 0 388.515 3.735 20 30 GHEDRO CN(Cc1ccc(F)c(F)c1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593509964 860048602 /nfs/dbraw/zinc/04/86/02/860048602.db2.gz IDCQTEYUOSPWTC-UHFFFAOYSA-N 1 0 398.457 3.642 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000602515437 860066986 /nfs/dbraw/zinc/06/69/86/860066986.db2.gz YIMNFDINPWHFFB-KRWDZBQOSA-N 1 0 375.944 3.993 20 30 GHEDRO CN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511185 860070107 /nfs/dbraw/zinc/07/01/07/860070107.db2.gz VFBTYZVYZAJXES-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO CCn1ncc2c1[C@@H](COC)C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170384391 881498374 /nfs/dbraw/zinc/49/83/74/881498374.db2.gz WTKFJKPWAXBNEI-VWRAKTAISA-N 1 0 378.520 3.853 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000602535775 860103173 /nfs/dbraw/zinc/10/31/73/860103173.db2.gz SJCPBKWXQUCHTC-DOTOQJQBSA-N 1 0 392.341 3.716 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000602535776 860103407 /nfs/dbraw/zinc/10/34/07/860103407.db2.gz SJCPBKWXQUCHTC-NVXWUHKLSA-N 1 0 392.341 3.716 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC000602555354 860107234 /nfs/dbraw/zinc/10/72/34/860107234.db2.gz LNOQTOMJMJJRFU-HUUCEWRRSA-N 1 0 384.705 3.787 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CC2)nc1 ZINC000092854043 860147408 /nfs/dbraw/zinc/14/74/08/860147408.db2.gz PWOGOEIVWSBLKR-UHFFFAOYSA-N 1 0 399.878 3.858 20 30 GHEDRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](C#N)C(C)C)c1 ZINC001127893314 860149070 /nfs/dbraw/zinc/14/90/70/860149070.db2.gz WXFJJVZXTAQUSB-ZRBLBEILSA-N 1 0 375.516 3.875 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)o2)cc1 ZINC000598221516 860166915 /nfs/dbraw/zinc/16/69/15/860166915.db2.gz WUSSEHRXGRFCCO-SFHVURJKSA-N 1 0 393.487 3.867 20 30 GHEDRO CC(C)[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)[NH+]1CCC(C)CC1 ZINC000154720353 860239694 /nfs/dbraw/zinc/23/96/94/860239694.db2.gz JQXGKLTUEWVNEQ-NRFANRHFSA-N 1 0 398.551 3.540 20 30 GHEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000508956911 860245905 /nfs/dbraw/zinc/24/59/05/860245905.db2.gz VCMOEOPHYODMNP-AWEZNQCLSA-N 1 0 378.307 3.722 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc([C@H]4CCCO4)s3)C2)c(F)c1 ZINC000328855295 860247091 /nfs/dbraw/zinc/24/70/91/860247091.db2.gz JWNZPWOBQZYGQS-DNVCBOLYSA-N 1 0 386.496 3.764 20 30 GHEDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000904312137 860328449 /nfs/dbraw/zinc/32/84/49/860328449.db2.gz GZJYXQJWIDKEGG-SFHVURJKSA-N 1 0 394.475 3.501 20 30 GHEDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000904312133 860328541 /nfs/dbraw/zinc/32/85/41/860328541.db2.gz GZJYXQJWIDKEGG-GOSISDBHSA-N 1 0 394.475 3.501 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000904323596 860339940 /nfs/dbraw/zinc/33/99/40/860339940.db2.gz PMWIFIBFBFEOSM-QFIPXVFZSA-N 1 0 392.459 3.719 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)nc1 ZINC000602911013 860345320 /nfs/dbraw/zinc/34/53/20/860345320.db2.gz UZCLRHBMIDCDGF-UHFFFAOYSA-N 1 0 393.878 3.687 20 30 GHEDRO C[NH+](C)CCNC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000727979163 860347546 /nfs/dbraw/zinc/34/75/46/860347546.db2.gz SCYYHRXPRFWZIP-UHFFFAOYSA-N 1 0 388.924 3.639 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CC[C@@H]3Sc4ccccc4NC3=O)CC2)nc1 ZINC000602904922 860356350 /nfs/dbraw/zinc/35/63/50/860356350.db2.gz BQCSORJHUQVANC-FQEVSTJZSA-N 1 0 378.501 3.636 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532225482 881532131 /nfs/dbraw/zinc/53/21/31/881532131.db2.gz XPYNNYCPZWWHGR-BEFAXECRSA-N 1 0 392.478 3.902 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904412833 860416657 /nfs/dbraw/zinc/41/66/57/860416657.db2.gz ZXRJOFXGQRAWBF-KRWDZBQOSA-N 1 0 378.476 3.502 20 30 GHEDRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590834 860436346 /nfs/dbraw/zinc/43/63/46/860436346.db2.gz QUOCXKUFVRSBTM-HOCLYGCPSA-N 1 0 381.314 3.895 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cc1)C1CC1 ZINC000112830520 860438465 /nfs/dbraw/zinc/43/84/65/860438465.db2.gz LKDCKFIDXSMWFX-UHFFFAOYSA-N 1 0 385.471 3.981 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000598623406 860451694 /nfs/dbraw/zinc/45/16/94/860451694.db2.gz ZGTGCRDSIQEODU-RJGXRXQPSA-N 1 0 395.522 3.684 20 30 GHEDRO Cn1cc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c(-c2ccc(C#N)cc2)n1 ZINC000922678112 860466052 /nfs/dbraw/zinc/46/60/52/860466052.db2.gz CCCFHMNCBYJSKQ-IAGOWNOFSA-N 1 0 378.398 3.548 20 30 GHEDRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598626917 860473790 /nfs/dbraw/zinc/47/37/90/860473790.db2.gz LFBXMWIWMLGUMB-COXVUDFISA-N 1 0 381.314 3.512 20 30 GHEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508995959 860477065 /nfs/dbraw/zinc/47/70/65/860477065.db2.gz MPMQJEQXNIXOMD-GOSISDBHSA-N 1 0 385.943 3.773 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000729976032 860480290 /nfs/dbraw/zinc/48/02/90/860480290.db2.gz UVYTZLSDMVIKON-VOTSOKGWSA-N 1 0 377.326 3.927 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000124902215 860525614 /nfs/dbraw/zinc/52/56/14/860525614.db2.gz YHDAACGBJFVDII-UXHICEINSA-N 1 0 375.472 3.968 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000598715470 860526516 /nfs/dbraw/zinc/52/65/16/860526516.db2.gz RFIGXMOHJSXBIH-QFIPXVFZSA-N 1 0 388.515 3.989 20 30 GHEDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN([C@@H](C#N)c3ccc(Cl)cc3)C2)ccn1 ZINC000856583639 881552367 /nfs/dbraw/zinc/55/23/67/881552367.db2.gz MXKUZEXXSNPIFC-SFTDATJTSA-N 1 0 384.911 3.905 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125014517 860557383 /nfs/dbraw/zinc/55/73/83/860557383.db2.gz PVWPDGNOXLLVRB-KSSFIOAISA-N 1 0 375.398 3.862 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)CC1 ZINC001170381352 881558123 /nfs/dbraw/zinc/55/81/23/881558123.db2.gz LSOBCQCYNPJFGS-JUJAOGAQSA-N 1 0 386.543 3.849 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624981502 860606499 /nfs/dbraw/zinc/60/64/99/860606499.db2.gz DQYYZKMRLUUXMK-HLAWJBBLSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1OC ZINC000922807516 860631073 /nfs/dbraw/zinc/63/10/73/860631073.db2.gz CAKXVOGMBPFKJL-INIZCTEOSA-N 1 0 381.900 3.731 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000598961956 860691751 /nfs/dbraw/zinc/69/17/51/860691751.db2.gz PAQZJGGMIPVPBD-UHFFFAOYSA-N 1 0 398.532 3.729 20 30 GHEDRO C[C@H](CCNC(=O)N1CCc2c(CC#N)cccc2C1)[N@H+](C)Cc1ccccc1 ZINC000599000748 860720060 /nfs/dbraw/zinc/72/00/60/860720060.db2.gz DEYLKWHZQPSMHA-LJQANCHMSA-N 1 0 390.531 3.731 20 30 GHEDRO Cc1c(Br)cncc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599004437 860722017 /nfs/dbraw/zinc/72/20/17/860722017.db2.gz DBAPNLVXOLOZON-UHFFFAOYSA-N 1 0 386.293 3.820 20 30 GHEDRO CC(C)(C)OC(=O)[C@@](C)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000593681214 860807007 /nfs/dbraw/zinc/80/70/07/860807007.db2.gz XDTXBNSJRPGADK-QHCPKHFHSA-N 1 0 390.487 3.595 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000494360914 881590830 /nfs/dbraw/zinc/59/08/30/881590830.db2.gz VFTHRUSWLTVVBK-SFHVURJKSA-N 1 0 395.503 3.972 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000329001306 860940344 /nfs/dbraw/zinc/94/03/44/860940344.db2.gz VYLRVMCEMFVARF-OWCLPIDISA-N 1 0 375.488 3.600 20 30 GHEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000329010338 860945834 /nfs/dbraw/zinc/94/58/34/860945834.db2.gz HVTSIGASIWTKHF-LJQANCHMSA-N 1 0 395.613 3.589 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC(=O)N2CCCCCC2)cc1OC ZINC000623387316 860972477 /nfs/dbraw/zinc/97/24/77/860972477.db2.gz WBLLQIIBXDKPKI-UHFFFAOYSA-N 1 0 380.916 3.796 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)C1 ZINC000329049402 860976905 /nfs/dbraw/zinc/97/69/05/860976905.db2.gz KJXSDKRAWMPWMO-XAPVIXHLSA-N 1 0 379.589 3.674 20 30 GHEDRO C[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[N@@H+]1CCCC[C@@H]1C ZINC000603660114 860993595 /nfs/dbraw/zinc/99/35/95/860993595.db2.gz PNKUGQMDWXPHBW-JKSUJKDBSA-N 1 0 397.548 3.990 20 30 GHEDRO Cc1cc2ncc([C@H](C)[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)c(C)n2n1 ZINC000593719959 861000715 /nfs/dbraw/zinc/00/07/15/861000715.db2.gz DSPMXPGJPSPYAV-KRWDZBQOSA-N 1 0 388.519 3.533 20 30 GHEDRO C=C[C@H](CC(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)c1ccccc1 ZINC000856632294 881602833 /nfs/dbraw/zinc/60/28/33/881602833.db2.gz SGMXKCAXFMAWLV-XXBNENTESA-N 1 0 393.531 3.873 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)ccc1OC ZINC000761334913 861025046 /nfs/dbraw/zinc/02/50/46/861025046.db2.gz JKGDSLHHZLKCKK-NRFANRHFSA-N 1 0 394.515 3.931 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000603692488 861025952 /nfs/dbraw/zinc/02/59/52/861025952.db2.gz YOZHAOGEFHVZAL-MRXNPFEDSA-N 1 0 379.464 3.741 20 30 GHEDRO COCc1ccccc1/C=C(\C)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000509098701 861035151 /nfs/dbraw/zinc/03/51/51/861035151.db2.gz VCXHVXYWBDKGCO-FJJSRGKOSA-N 1 0 387.483 3.582 20 30 GHEDRO Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCC[N@H+]3CC=C(C)CC3)C2)c1 ZINC000329122209 861040436 /nfs/dbraw/zinc/04/04/36/861040436.db2.gz WNXVVUBCBKZBGX-LJQANCHMSA-N 1 0 384.524 3.861 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@@H+](C)C2CCCC2)cc1C ZINC000609190173 881607356 /nfs/dbraw/zinc/60/73/56/881607356.db2.gz PLWTXNDITYZBCS-UHFFFAOYSA-N 1 0 393.535 3.685 20 30 GHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000185620020 861083650 /nfs/dbraw/zinc/08/36/50/861083650.db2.gz YDOKUPLWBLGNMV-DGCLKSJQSA-N 1 0 393.413 3.612 20 30 GHEDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC1CC1 ZINC000600160850 861136563 /nfs/dbraw/zinc/13/65/63/861136563.db2.gz GTYWYBPMZZOTRR-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000599386720 861151266 /nfs/dbraw/zinc/15/12/66/861151266.db2.gz WOEBUNRNDGTCOW-KNQAVFIVSA-N 1 0 394.515 3.988 20 30 GHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599386865 861151359 /nfs/dbraw/zinc/15/13/59/861151359.db2.gz XNSQQXUJRMBHIC-KRWDZBQOSA-N 1 0 384.442 3.687 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185665773 861157800 /nfs/dbraw/zinc/15/78/00/861157800.db2.gz KKPJSUVKQHHSOF-NHCUHLMSSA-N 1 0 396.579 3.793 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC001141902925 861188844 /nfs/dbraw/zinc/18/88/44/861188844.db2.gz JWIHCWWHMXESQU-UHFFFAOYSA-N 1 0 384.321 3.681 20 30 GHEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCc2ccccc2C1 ZINC000114488962 881622943 /nfs/dbraw/zinc/62/29/43/881622943.db2.gz KIVIYHPHPREHPQ-UXHICEINSA-N 1 0 382.467 3.713 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)ccc1OC ZINC000482453729 863157228 /nfs/dbraw/zinc/15/72/28/863157228.db2.gz CXVHVXMTBKOQLO-JOCHJYFZSA-N 1 0 375.509 3.810 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000733802477 863171200 /nfs/dbraw/zinc/17/12/00/863171200.db2.gz MHYJMUJVXBNRGL-WIYYLYMNSA-N 1 0 394.519 3.687 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000733852348 863219235 /nfs/dbraw/zinc/21/92/35/863219235.db2.gz WHYMVNPUKKGKRH-OAQYLSRUSA-N 1 0 398.551 3.775 20 30 GHEDRO CCC(CC)n1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000160026269 863246862 /nfs/dbraw/zinc/24/68/62/863246862.db2.gz UUCHTQKMGVUZCQ-UHFFFAOYSA-N 1 0 381.524 3.628 20 30 GHEDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160184926 863389405 /nfs/dbraw/zinc/38/94/05/863389405.db2.gz TWNJKLXJYLVGPL-HKUYNNGSSA-N 1 0 394.494 3.697 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281869702 863441831 /nfs/dbraw/zinc/44/18/31/863441831.db2.gz UOAWHWRYPMAESB-BDTNDASRSA-N 1 0 385.552 3.521 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000593971645 863560048 /nfs/dbraw/zinc/56/00/48/863560048.db2.gz MEMMNRLXUAVFPB-KRWDZBQOSA-N 1 0 379.529 3.924 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)c(OC)c1 ZINC000606449780 863625083 /nfs/dbraw/zinc/62/50/83/863625083.db2.gz DLHUIEIOGKEORH-OXJNMPFZSA-N 1 0 385.479 3.922 20 30 GHEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCCCC1 ZINC000606468595 863650232 /nfs/dbraw/zinc/65/02/32/863650232.db2.gz LOVZSXKRAKQLCF-OAHLLOKOSA-N 1 0 379.342 3.931 20 30 GHEDRO N#Cc1cccc(NC(=O)C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000594035717 863847462 /nfs/dbraw/zinc/84/74/62/863847462.db2.gz TYRTYUPCCRROLK-UHFFFAOYSA-N 1 0 375.350 3.674 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[NH+]1CCCCC1 ZINC000734122288 864010163 /nfs/dbraw/zinc/01/01/63/864010163.db2.gz CAKIMXOUROKTLW-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO COc1cc2c(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc[nH+]c2cc1F ZINC000480119897 864083285 /nfs/dbraw/zinc/08/32/85/864083285.db2.gz YKFKQANIOCPEJA-IBGZPJMESA-N 1 0 390.418 3.862 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccn2)CCC1N=Nc1ncnc2sc3c(c21)CCC3 ZINC000734361676 864177597 /nfs/dbraw/zinc/17/75/97/864177597.db2.gz HXJXWPSOXIBVAB-AWEZNQCLSA-N 1 0 392.532 3.885 20 30 GHEDRO Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000856798818 881749267 /nfs/dbraw/zinc/74/92/67/881749267.db2.gz OYSQLZZNYPWBNI-XMMPIXPASA-N 1 0 386.499 3.904 20 30 GHEDRO N#CCc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000533962465 864305057 /nfs/dbraw/zinc/30/50/57/864305057.db2.gz FDORBCQHMKQSSE-UHFFFAOYSA-N 1 0 397.906 3.679 20 30 GHEDRO C[C@@H]1CN(Cc2cccc(CNC(=O)C[C@@H](CC#N)c3ccccc3)c2)CCO1 ZINC000475166902 864376763 /nfs/dbraw/zinc/37/67/63/864376763.db2.gz YALDEJNWEXTRKC-AUSIDOKSSA-N 1 0 391.515 3.611 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734844145 864472863 /nfs/dbraw/zinc/47/28/63/864472863.db2.gz VWDPOGWXUFWYBP-WOJBJXKFSA-N 1 0 377.406 3.713 20 30 GHEDRO C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272206319 881776473 /nfs/dbraw/zinc/77/64/73/881776473.db2.gz BLFUIQIWNANMDP-AVRDEDQJSA-N 1 0 376.504 3.610 20 30 GHEDRO CC1(C[NH+]=C(NC[C@H]2CCS(=O)(=O)C2)NC2CCCCC2)CCCCCC1 ZINC000262463768 864561710 /nfs/dbraw/zinc/56/17/10/864561710.db2.gz XXQYROCONOJMSG-GOSISDBHSA-N 1 0 397.629 3.650 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2Oc2ccc(OCCC)cc2)CC1 ZINC000735016759 864578189 /nfs/dbraw/zinc/57/81/89/864578189.db2.gz LBYZTVSVBKYUFS-GOTSBHOMSA-N 1 0 398.547 3.627 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000586049617 864610586 /nfs/dbraw/zinc/61/05/86/864610586.db2.gz ARIYJKVWPMMEMZ-UHFFFAOYSA-N 1 0 377.532 3.855 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(CC#N)c1)[NH+]1CCCC1 ZINC000455945621 864689698 /nfs/dbraw/zinc/68/96/98/864689698.db2.gz LOFGUSYGCZNWIW-FQEVSTJZSA-N 1 0 378.476 3.720 20 30 GHEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000475289350 864719543 /nfs/dbraw/zinc/71/95/43/864719543.db2.gz YROSKPIVZPAZRU-UHFFFAOYSA-N 1 0 388.895 3.791 20 30 GHEDRO C=CCc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000475309743 864758840 /nfs/dbraw/zinc/75/88/40/864758840.db2.gz XZDJPYZSKOLLOG-NRFANRHFSA-N 1 0 394.515 3.779 20 30 GHEDRO COC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1 ZINC000554747321 864847885 /nfs/dbraw/zinc/84/78/85/864847885.db2.gz SXSHSXTZKWARRC-PMACEKPBSA-N 1 0 383.879 3.684 20 30 GHEDRO C=CC[NH+]1CCC(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000735628210 864890274 /nfs/dbraw/zinc/89/02/74/864890274.db2.gz NTYWYXKGSOHJLY-UHFFFAOYSA-N 1 0 375.872 3.878 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000532334054 881814852 /nfs/dbraw/zinc/81/48/52/881814852.db2.gz KPSNVQPNEDYCKV-DNVCBOLYSA-N 1 0 377.513 3.922 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)cc(OC)c1O ZINC000608069359 864961033 /nfs/dbraw/zinc/96/10/33/864961033.db2.gz BYDQGWJGJHYNEK-FQEVSTJZSA-N 1 0 377.488 3.936 20 30 GHEDRO COc1ccc(C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(OC)cc2)cc1 ZINC000480633576 865017459 /nfs/dbraw/zinc/01/74/59/865017459.db2.gz GMHVSMBNIFWYSP-HSZRJFAPSA-N 1 0 375.472 3.988 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000736309062 865171518 /nfs/dbraw/zinc/17/15/18/865171518.db2.gz SWUCITGFVZRHIF-UHFFFAOYSA-N 1 0 384.426 3.719 20 30 GHEDRO C=C(Cl)CNC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000736403635 865190998 /nfs/dbraw/zinc/19/09/98/865190998.db2.gz XFSGJDAWDLKXHJ-KRWDZBQOSA-N 1 0 375.925 3.899 20 30 GHEDRO N#Cc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000554977535 865259160 /nfs/dbraw/zinc/25/91/60/865259160.db2.gz UPSBKNRKRLOGDV-UHFFFAOYSA-N 1 0 379.348 3.941 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173964762 865260987 /nfs/dbraw/zinc/26/09/87/865260987.db2.gz YSNYLMBLELINMP-SJORKVTESA-N 1 0 380.448 3.889 20 30 GHEDRO COc1cccc(-c2noc([C@@H](C)[NH2+]CCCOc3cccc(C#N)c3)n2)c1 ZINC000185119037 865321249 /nfs/dbraw/zinc/32/12/49/865321249.db2.gz YSJLUYYDFFXWKD-OAHLLOKOSA-N 1 0 378.432 3.737 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000594226967 865474789 /nfs/dbraw/zinc/47/47/89/865474789.db2.gz PZKAUKZCBIAARE-QGZVFWFLSA-N 1 0 380.517 3.557 20 30 GHEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594230960 865488770 /nfs/dbraw/zinc/48/87/70/865488770.db2.gz NVMSUCFRVOSMNE-HXUWFJFHSA-N 1 0 375.516 3.780 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555130382 865549054 /nfs/dbraw/zinc/54/90/54/865549054.db2.gz CBYRVDUSJYGWEW-QUCCMNQESA-N 1 0 381.923 3.629 20 30 GHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccco1 ZINC000594248182 865600050 /nfs/dbraw/zinc/60/00/50/865600050.db2.gz OQYKCRHMYLTGEQ-QFBILLFUSA-N 1 0 380.492 3.959 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000594254131 865613355 /nfs/dbraw/zinc/61/33/55/865613355.db2.gz ZOUMJEJNIOLIBF-IBGZPJMESA-N 1 0 375.516 3.765 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000739026525 865679158 /nfs/dbraw/zinc/67/91/58/865679158.db2.gz WUJBYNHLKTZNTD-HXUWFJFHSA-N 1 0 384.524 3.527 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000608812504 865718480 /nfs/dbraw/zinc/71/84/80/865718480.db2.gz QVHKGLMSXUTYHF-SJORKVTESA-N 1 0 381.476 3.580 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508481303 865727873 /nfs/dbraw/zinc/72/78/73/865727873.db2.gz PGVWWPSIOKEANW-ROUUACIJSA-N 1 0 399.514 3.808 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC000172908488 865743825 /nfs/dbraw/zinc/74/38/25/865743825.db2.gz GTPFZGAEGHWULC-UHFFFAOYSA-N 1 0 392.931 3.640 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000594307920 865750165 /nfs/dbraw/zinc/75/01/65/865750165.db2.gz CYZDSAIKEHQXDX-IBGZPJMESA-N 1 0 375.516 3.860 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000555255392 865811179 /nfs/dbraw/zinc/81/11/79/865811179.db2.gz JHDVUHJFUCNWMZ-OALUTQOASA-N 1 0 382.556 3.940 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000739989115 865820227 /nfs/dbraw/zinc/82/02/27/865820227.db2.gz HNKHJMIHOYAWLC-JPYJTQIMSA-N 1 0 391.515 3.937 20 30 GHEDRO C#CC[N@@H+](CCCCC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000739914344 865827711 /nfs/dbraw/zinc/82/77/11/865827711.db2.gz HKUUEODPBOKAPB-QGZVFWFLSA-N 1 0 394.309 3.941 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2)s1 ZINC000740470493 865938768 /nfs/dbraw/zinc/93/87/68/865938768.db2.gz WIKVZBYXGGDLMP-INIZCTEOSA-N 1 0 380.517 3.570 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC(F)F)c(F)c1 ZINC000555351009 865966021 /nfs/dbraw/zinc/96/60/21/865966021.db2.gz WVNMXARMNZICCT-UHFFFAOYSA-N 1 0 391.393 3.503 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2c3c(sc2-n2cccc2)CCCC3)CC1 ZINC000740736270 865973551 /nfs/dbraw/zinc/97/35/51/865973551.db2.gz LZJYVIWHWJJOOP-UHFFFAOYSA-N 1 0 381.545 3.635 20 30 GHEDRO Cc1sc(NC(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000481204055 866004215 /nfs/dbraw/zinc/00/42/15/866004215.db2.gz UMTHPUYZKXSIAK-FOIQADDNSA-N 1 0 396.560 3.675 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000448642700 866009025 /nfs/dbraw/zinc/00/90/25/866009025.db2.gz SNRUWQDUBUSOFR-UHFFFAOYSA-N 1 0 394.515 3.537 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C[C@@H]1C ZINC000740840818 866035741 /nfs/dbraw/zinc/03/57/41/866035741.db2.gz FXRYHPMEBAQDMB-KKSFZXQISA-N 1 0 378.520 3.911 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000793129846 881935288 /nfs/dbraw/zinc/93/52/88/881935288.db2.gz UMIZMYURRMIFJO-UHFFFAOYSA-N 1 0 391.515 3.891 20 30 GHEDRO CS[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H]1[NH+](C)C ZINC000534091470 866117846 /nfs/dbraw/zinc/11/78/46/866117846.db2.gz GYAAGMPDBHGFAA-FXAWDEMLSA-N 1 0 397.569 3.827 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)CC2CCC2)cc1OC ZINC000475514225 866156301 /nfs/dbraw/zinc/15/63/01/866156301.db2.gz XCPWVUGYIOVQID-HNNXBMFYSA-N 1 0 384.314 3.663 20 30 GHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000534170242 866253804 /nfs/dbraw/zinc/25/38/04/866253804.db2.gz VGIYEHGAQWPFMN-MRXNPFEDSA-N 1 0 376.460 3.927 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1-n1cccn1 ZINC000183165434 866312626 /nfs/dbraw/zinc/31/26/26/866312626.db2.gz IUZZTIUNAYWUAF-AWEZNQCLSA-N 1 0 379.851 3.687 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCCC(=O)Nc3ccccc3C#N)ccc21 ZINC000456266228 866329981 /nfs/dbraw/zinc/32/99/81/866329981.db2.gz HZEOIOIBCHIZEI-NRFANRHFSA-N 1 0 390.487 3.855 20 30 GHEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1C ZINC000303974531 866431575 /nfs/dbraw/zinc/43/15/75/866431575.db2.gz HYWPLSJZRBHLAM-FQEVSTJZSA-N 1 0 386.927 3.757 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000049798126 866600596 /nfs/dbraw/zinc/60/05/96/866600596.db2.gz NJPGDYFANIRKDY-NRFANRHFSA-N 1 0 382.483 3.922 20 30 GHEDRO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262541496 866605834 /nfs/dbraw/zinc/60/58/34/866605834.db2.gz SEEAHZRRCOFGSX-IUODEOHRSA-N 1 0 375.831 3.923 20 30 GHEDRO CC(C)(C)[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(F)cc1 ZINC000282015662 866711012 /nfs/dbraw/zinc/71/10/12/866711012.db2.gz OSEYJMFQJCGPAF-UHFFFAOYSA-N 1 0 375.488 3.965 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000741790573 866793318 /nfs/dbraw/zinc/79/33/18/866793318.db2.gz HODPRLTYQBOLKV-ICSRJNTNSA-N 1 0 382.467 3.788 20 30 GHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000534537432 866966007 /nfs/dbraw/zinc/96/60/07/866966007.db2.gz JRGQILMXPIRMJV-FQEVSTJZSA-N 1 0 386.883 3.773 20 30 GHEDRO C=CC[C@H]1[N@H+](CC(=O)N2CCc3cc(OC)c(OC)cc3C2)CCCC1(C)C ZINC000444777970 867222278 /nfs/dbraw/zinc/22/22/78/867222278.db2.gz USDWOMGEMBUKOS-OAQYLSRUSA-N 1 0 386.536 3.655 20 30 GHEDRO N#CC1(NC(=O)C/C=C\c2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479214333 867366627 /nfs/dbraw/zinc/36/66/27/867366627.db2.gz JYHFBDQNOWIHSH-UITAMQMPSA-N 1 0 377.463 3.904 20 30 GHEDRO Cc1ccc(CCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479236966 867387270 /nfs/dbraw/zinc/38/72/70/867387270.db2.gz BBDCRZJGKLKKIU-UHFFFAOYSA-N 1 0 375.516 3.992 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742624682 867438679 /nfs/dbraw/zinc/43/86/79/867438679.db2.gz LCYMTBSYXAZCMK-IBGZPJMESA-N 1 0 393.572 3.523 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](CCO)C1CCCCC1)c1cccc(Cl)c1 ZINC000183707930 867461279 /nfs/dbraw/zinc/46/12/79/867461279.db2.gz HNQAJSIQUKRDSV-IBGZPJMESA-N 1 0 377.916 3.508 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC2)cc1 ZINC000553460000 867462968 /nfs/dbraw/zinc/46/29/68/867462968.db2.gz LRRKNAUXEPDWCL-XMMPIXPASA-N 1 0 385.511 3.714 20 30 GHEDRO CC[C@@H](Oc1ccccc1C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479275311 867504465 /nfs/dbraw/zinc/50/44/65/867504465.db2.gz JZBRWKMWDHMBHJ-OAQYLSRUSA-N 1 0 391.515 3.827 20 30 GHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000440621829 867560792 /nfs/dbraw/zinc/56/07/92/867560792.db2.gz GGBKGUSMJNXQRN-NQIIRXRSSA-N 1 0 389.421 3.909 20 30 GHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000553510832 867565312 /nfs/dbraw/zinc/56/53/12/867565312.db2.gz KTZCYEVFTBNAQG-SJCJKPOMSA-N 1 0 386.421 3.977 20 30 GHEDRO C[C@@H]1C[C@@H](CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000553511136 867565371 /nfs/dbraw/zinc/56/53/71/867565371.db2.gz QUFVILRAYLFZMS-NVXWUHKLSA-N 1 0 379.464 3.761 20 30 GHEDRO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000553525157 867621667 /nfs/dbraw/zinc/62/16/67/867621667.db2.gz UUGQOQNMWIUNMS-MRXNPFEDSA-N 1 0 393.369 3.782 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1SCC#N ZINC000742949112 867692006 /nfs/dbraw/zinc/69/20/06/867692006.db2.gz MAZGHOTXFZBYDU-LJQANCHMSA-N 1 0 379.529 3.896 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)C(N)=O)cc1 ZINC000523735740 867873103 /nfs/dbraw/zinc/87/31/03/867873103.db2.gz YMIGWRKGMMBJKO-JFAQQGEVSA-N 1 0 393.490 3.972 20 30 GHEDRO C=CCCOCC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000620906359 867976975 /nfs/dbraw/zinc/97/69/75/867976975.db2.gz USPSEEAGYHKJKF-UHFFFAOYSA-N 1 0 384.442 3.721 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000523916321 868241277 /nfs/dbraw/zinc/24/12/77/868241277.db2.gz ZOIPGHWASOVQQP-KRWDZBQOSA-N 1 0 383.458 3.723 20 30 GHEDRO CCCN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000479691089 868342467 /nfs/dbraw/zinc/34/24/67/868342467.db2.gz MSCOFLFZDQOJDJ-QFIPXVFZSA-N 1 0 396.579 3.706 20 30 GHEDRO N#CCCC[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000457488919 868347606 /nfs/dbraw/zinc/34/76/06/868347606.db2.gz KWMHBADQLNPTLM-FCHUYYIVSA-N 1 0 376.504 3.995 20 30 GHEDRO CCC(CC)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)SC ZINC000743697970 868368320 /nfs/dbraw/zinc/36/83/20/868368320.db2.gz RKXLYPWKSRRQEV-UHFFFAOYSA-N 1 0 388.581 3.697 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000557520615 868373962 /nfs/dbraw/zinc/37/39/62/868373962.db2.gz CPGGEWWRYHNDLY-WMLDXEAASA-N 1 0 397.357 3.795 20 30 GHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000479730419 868405366 /nfs/dbraw/zinc/40/53/66/868405366.db2.gz PUHBRPSQJIQZIV-JOCHJYFZSA-N 1 0 394.519 3.813 20 30 GHEDRO N#CC(CC[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1)(c1ccccc1)c1ccccc1 ZINC000553942245 868475941 /nfs/dbraw/zinc/47/59/41/868475941.db2.gz AQHISOXEDFDOGH-OAQYLSRUSA-N 1 0 387.527 3.831 20 30 GHEDRO C=CCC[C@@H](CO)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000457619868 868519896 /nfs/dbraw/zinc/51/98/96/868519896.db2.gz RLSYJOYUBQQDMO-NRFANRHFSA-N 1 0 381.520 3.542 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000524103962 868532179 /nfs/dbraw/zinc/53/21/79/868532179.db2.gz HWFRAVUXHCEHGJ-QZTJIDSGSA-N 1 0 395.503 3.625 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccsc1 ZINC000524136032 868615140 /nfs/dbraw/zinc/61/51/40/868615140.db2.gz CLUGAADIGYAQIJ-LJQANCHMSA-N 1 0 395.484 3.824 20 30 GHEDRO COc1cc(C[NH2+]C[C@@H](c2ccccc2OC)N2CCCCC2)ccc1C#N ZINC000440807235 868648054 /nfs/dbraw/zinc/64/80/54/868648054.db2.gz UOMDFHJQILQUDD-NRFANRHFSA-N 1 0 379.504 3.892 20 30 GHEDRO CCc1nc(CN2CCC(C[NH2+]Cc3ccc(C#N)c(OC)c3)CC2)cs1 ZINC000440828905 868813405 /nfs/dbraw/zinc/81/34/05/868813405.db2.gz VDGQYQPUSUDMPH-UHFFFAOYSA-N 1 0 384.549 3.588 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000744407014 868815490 /nfs/dbraw/zinc/81/54/90/868815490.db2.gz QPOJFDNZDUHPRS-RTBURBONSA-N 1 0 390.487 3.647 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC2CC[NH+](C)CC2)cc1C ZINC000524268930 868816590 /nfs/dbraw/zinc/81/65/90/868816590.db2.gz ZAMQCSNWAJKHMC-UHFFFAOYSA-N 1 0 393.535 3.542 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)C(N)=O)cc1 ZINC000442760270 868822895 /nfs/dbraw/zinc/82/28/95/868822895.db2.gz GFMIMJIJLMPNOA-QGZVFWFLSA-N 1 0 391.368 3.564 20 30 GHEDRO Cc1cc(C)cc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c1 ZINC000744445830 868848132 /nfs/dbraw/zinc/84/81/32/868848132.db2.gz ICFLCVJTCTVIKR-UHFFFAOYSA-N 1 0 380.492 3.569 20 30 GHEDRO COc1cc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)ccc1C#N ZINC000442800940 868931996 /nfs/dbraw/zinc/93/19/96/868931996.db2.gz LEKOEZZHXVONKC-PKOBYXMFSA-N 1 0 377.271 3.964 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1C#N ZINC000442879203 868988520 /nfs/dbraw/zinc/98/85/20/868988520.db2.gz IGRIGUUIAWPGLE-QGZVFWFLSA-N 1 0 396.466 3.740 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000744816989 869083492 /nfs/dbraw/zinc/08/34/92/869083492.db2.gz BFAQROUITOMTAN-JOCHJYFZSA-N 1 0 381.495 3.836 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)CC1 ZINC000475637113 869195628 /nfs/dbraw/zinc/19/56/28/869195628.db2.gz FJFGEBHUDYPBGJ-UHFFFAOYSA-N 1 0 398.453 3.966 20 30 GHEDRO N#Cc1cccc(OCCN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000440919481 869263771 /nfs/dbraw/zinc/26/37/71/869263771.db2.gz QANMYZKAHNWBES-LJQANCHMSA-N 1 0 389.455 3.578 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539610304 869439397 /nfs/dbraw/zinc/43/93/97/869439397.db2.gz UUJZSOBFVLLISO-QGZVFWFLSA-N 1 0 379.479 3.972 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1 ZINC000609098780 869482200 /nfs/dbraw/zinc/48/22/00/869482200.db2.gz HPQAXUXRGFUWDA-HSZRJFAPSA-N 1 0 390.531 3.685 20 30 GHEDRO CN(C(=O)NCc1cc(C#N)ccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000745892692 869868361 /nfs/dbraw/zinc/86/83/61/869868361.db2.gz DOALZISJZVQDPV-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO CN(CCC1CC[NH+](CCOc2ccccc2C#N)CC1)C(=O)OC(C)(C)C ZINC001192283752 870264375 /nfs/dbraw/zinc/26/43/75/870264375.db2.gz RODYSESLZKYNFG-UHFFFAOYSA-N 1 0 387.524 3.906 20 30 GHEDRO COc1cc(C[N@H+](C)CCc2cnccn2)ccc1OCc1cccc(C#N)c1 ZINC000540042803 870288591 /nfs/dbraw/zinc/28/85/91/870288591.db2.gz SKKXIHJLAQUOPU-UHFFFAOYSA-N 1 0 388.471 3.610 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793765327 882392644 /nfs/dbraw/zinc/39/26/44/882392644.db2.gz IHMYJNKFZKGMPW-OAQYLSRUSA-N 1 0 383.565 3.561 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540058322 870330003 /nfs/dbraw/zinc/33/00/03/870330003.db2.gz ZEDNWPXQFLDWMC-INIZCTEOSA-N 1 0 377.366 3.504 20 30 GHEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000525328753 870369182 /nfs/dbraw/zinc/36/91/82/870369182.db2.gz LLKGZDLZRBYVTD-UZLBHIALSA-N 1 0 388.556 3.852 20 30 GHEDRO COc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1OCCCC#N ZINC000092662398 882410610 /nfs/dbraw/zinc/41/06/10/882410610.db2.gz BRPJFDPRFLZDJV-FQEVSTJZSA-N 1 0 388.508 3.538 20 30 GHEDRO CC(C)(O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001192599010 870528058 /nfs/dbraw/zinc/52/80/58/870528058.db2.gz CRSWPCMABBOJGU-HZCBDIJESA-N 1 0 391.515 3.698 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)COc3ccc(C#N)cc3)c2)CC1 ZINC000538795521 870621711 /nfs/dbraw/zinc/62/17/11/870621711.db2.gz HETGPHPLVPRNKB-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000525411386 870647483 /nfs/dbraw/zinc/64/74/83/870647483.db2.gz ZZBXBYBIXTUSQE-UHFFFAOYSA-N 1 0 380.366 3.976 20 30 GHEDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000249101703 870756472 /nfs/dbraw/zinc/75/64/72/870756472.db2.gz PPFWETHJFXIKBG-DYESRHJHSA-N 1 0 389.565 3.750 20 30 GHEDRO N#Cc1ccccc1N1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441182357 870832009 /nfs/dbraw/zinc/83/20/09/870832009.db2.gz UKKUDYJXRLIKPQ-UHFFFAOYSA-N 1 0 375.451 3.595 20 30 GHEDRO C=CC[C@@H](C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000249606076 870873096 /nfs/dbraw/zinc/87/30/96/870873096.db2.gz ZSMMZJIKNPTCNN-AUSIDOKSSA-N 1 0 378.516 3.883 20 30 GHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670211708 870909468 /nfs/dbraw/zinc/90/94/68/870909468.db2.gz CZMAZPHOHZNFDM-QGZVFWFLSA-N 1 0 392.507 3.707 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2cscn2)c1 ZINC000463118311 870954817 /nfs/dbraw/zinc/95/48/17/870954817.db2.gz CHMPMMJFDDBMQW-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO Cc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)c1 ZINC000181490534 871091943 /nfs/dbraw/zinc/09/19/43/871091943.db2.gz PVMNMLHHFPKFLN-AUSIDOKSSA-N 1 0 379.504 3.622 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC001193509454 871150241 /nfs/dbraw/zinc/15/02/41/871150241.db2.gz YXVAJVIREZKREP-KRWDZBQOSA-N 1 0 375.432 3.728 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000540412214 871206677 /nfs/dbraw/zinc/20/66/77/871206677.db2.gz QWTMVBDHQQLXCN-OAQYLSRUSA-N 1 0 386.492 3.992 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000540430004 871263491 /nfs/dbraw/zinc/26/34/91/871263491.db2.gz OMCUKVBDCFGRRX-HNNXBMFYSA-N 1 0 385.430 3.927 20 30 GHEDRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)(C)C)cn1 ZINC000540476681 871357457 /nfs/dbraw/zinc/35/74/57/871357457.db2.gz ZMGQCMHRFQJVFJ-LJQANCHMSA-N 1 0 399.564 3.938 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](C3CCC(OC(=O)c4ccccc4)CC3)CC2)cc1 ZINC001169304401 871397358 /nfs/dbraw/zinc/39/73/58/871397358.db2.gz BMNXVIUERLXVBD-UHFFFAOYSA-N 1 0 389.499 3.848 20 30 GHEDRO C[C@](C#N)(Nc1ccc(C(=O)N2CCC([NH3+])CC2)cc1)c1ccccc1Cl ZINC001169390043 871463455 /nfs/dbraw/zinc/46/34/55/871463455.db2.gz COXKWLFHLWHQRA-OAQYLSRUSA-N 1 0 382.895 3.754 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000539184918 871474415 /nfs/dbraw/zinc/47/44/15/871474415.db2.gz JAMLZCBQLBBLFX-YJBOKZPZSA-N 1 0 387.443 3.684 20 30 GHEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447392454 871523933 /nfs/dbraw/zinc/52/39/33/871523933.db2.gz BSPBRRHPAQJEDE-JKSUJKDBSA-N 1 0 385.533 3.689 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000525836548 871525746 /nfs/dbraw/zinc/52/57/46/871525746.db2.gz QSVMIBBBWDCSDP-UHFFFAOYSA-N 1 0 399.878 3.858 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OC(C)C ZINC000539252432 871561248 /nfs/dbraw/zinc/56/12/48/871561248.db2.gz DYBHHNSPWBQFDF-GCKMJXCFSA-N 1 0 375.513 3.576 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OC(C)C ZINC000539252433 871562268 /nfs/dbraw/zinc/56/22/68/871562268.db2.gz DYBHHNSPWBQFDF-MRUHUIDDSA-N 1 0 375.513 3.576 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)ccc1OCc1ccccc1 ZINC000539254578 871563080 /nfs/dbraw/zinc/56/30/80/871563080.db2.gz BAJWRBDTWNEJFD-MSOLQXFVSA-N 1 0 395.503 3.685 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1N1CCCc2ccc(C[NH3+])nc21 ZINC001169591340 871652846 /nfs/dbraw/zinc/65/28/46/871652846.db2.gz UJVHTBMEAZJJNM-UHFFFAOYSA-N 1 0 394.276 3.807 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000540597262 871661962 /nfs/dbraw/zinc/66/19/62/871661962.db2.gz NDNJUGXYBNVUDT-MSOLQXFVSA-N 1 0 397.544 3.830 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447498908 871705738 /nfs/dbraw/zinc/70/57/38/871705738.db2.gz DQWTWFNYDZVVOW-OALUTQOASA-N 1 0 380.492 3.844 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000539332194 871711359 /nfs/dbraw/zinc/71/13/59/871711359.db2.gz PCKDDIJZNKQOGH-RKVPGOIHSA-N 1 0 384.442 3.938 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000539324063 871736272 /nfs/dbraw/zinc/73/62/72/871736272.db2.gz AILZIHRTMWQTRA-ZJSXRUAMSA-N 1 0 391.515 3.822 20 30 GHEDRO OC[C@@]1(c2ccccc2)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000463456017 871796746 /nfs/dbraw/zinc/79/67/46/871796746.db2.gz QIQKNIMNTOWBMZ-HXUWFJFHSA-N 1 0 375.390 3.573 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000540707417 871946862 /nfs/dbraw/zinc/94/68/62/871946862.db2.gz AFDBOJFUINCCDL-FOIQADDNSA-N 1 0 383.467 3.966 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000552057160 871949818 /nfs/dbraw/zinc/94/98/18/871949818.db2.gz HDWAISISAQBOPV-YMPZKCBVSA-N 1 0 391.515 3.874 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccs1 ZINC000429724275 872017826 /nfs/dbraw/zinc/01/78/26/872017826.db2.gz OWGAZPJWSFUBEP-SFHVURJKSA-N 1 0 393.516 3.558 20 30 GHEDRO C[C@H](CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[N@H+](C)Cc1ccccc1 ZINC000618819698 872025734 /nfs/dbraw/zinc/02/57/34/872025734.db2.gz JODGFZQSELYMCS-VGOFRKELSA-N 1 0 376.504 3.755 20 30 GHEDRO CCC[C@@H]1CN(C(=O)Cc2ccccc2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000776989287 882571811 /nfs/dbraw/zinc/57/18/11/882571811.db2.gz MDTDXNUOXGYYHG-HSZRJFAPSA-N 1 0 375.516 3.808 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccc(C)cc2)cc1 ZINC000101535064 872071972 /nfs/dbraw/zinc/07/19/72/872071972.db2.gz DTUKBOULCSYNTQ-UHFFFAOYSA-O 1 0 381.443 3.936 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000766941032 872101730 /nfs/dbraw/zinc/10/17/30/872101730.db2.gz TXCSPANQWPUUSQ-FQEVSTJZSA-N 1 0 395.450 3.943 20 30 GHEDRO CCC1(CC)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000766994068 872121330 /nfs/dbraw/zinc/12/13/30/872121330.db2.gz BIPSEPYZCBKFNI-MRXNPFEDSA-N 1 0 380.517 3.831 20 30 GHEDRO CNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734300 872144441 /nfs/dbraw/zinc/14/44/41/872144441.db2.gz BBSMYDUYYHAAHH-UHFFFAOYSA-O 1 0 392.548 3.678 20 30 GHEDRO COC(=O)CCCN1CCC([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000775633749 872154643 /nfs/dbraw/zinc/15/46/43/872154643.db2.gz LUXCECWTGIBOJZ-UHFFFAOYSA-N 1 0 397.544 3.794 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001195122744 872185190 /nfs/dbraw/zinc/18/51/90/872185190.db2.gz HCCIODITUGVKLX-FCHUYYIVSA-N 1 0 377.488 3.526 20 30 GHEDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000618966950 872192050 /nfs/dbraw/zinc/19/20/50/872192050.db2.gz IHAMAWMNTJYEKZ-NRFANRHFSA-N 1 0 387.487 3.514 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)ccc1OC ZINC000093532334 872259159 /nfs/dbraw/zinc/25/91/59/872259159.db2.gz DDIQBKIFLGQJKD-UHFFFAOYSA-N 1 0 386.536 3.875 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CC1 ZINC000182375103 872272801 /nfs/dbraw/zinc/27/28/01/872272801.db2.gz IODIPOYFWZEGPP-UHFFFAOYSA-N 1 0 376.504 3.660 20 30 GHEDRO N#CCSc1cccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000175605264 882602256 /nfs/dbraw/zinc/60/22/56/882602256.db2.gz YAXIHKYNOCXOIG-UHFFFAOYSA-N 1 0 379.529 3.739 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000101905059 872358329 /nfs/dbraw/zinc/35/83/29/872358329.db2.gz HVPJKBXVXLBLHM-QGZVFWFLSA-N 1 0 386.565 3.756 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001195411977 872371625 /nfs/dbraw/zinc/37/16/25/872371625.db2.gz WSWLQIQJTDNDIT-UHFFFAOYSA-N 1 0 388.515 3.779 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(CO)c1 ZINC000022804230 872400564 /nfs/dbraw/zinc/40/05/64/872400564.db2.gz QVZUCVAKRMHUFZ-UHFFFAOYSA-O 1 0 398.335 3.712 20 30 GHEDRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)CCCCC#N)C1 ZINC000857881532 882611132 /nfs/dbraw/zinc/61/11/32/882611132.db2.gz VZZVJJBMNBQPNW-INIZCTEOSA-N 1 0 378.314 3.742 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000527048600 872555771 /nfs/dbraw/zinc/55/57/71/872555771.db2.gz UOABGFYBLRADAI-CQSZACIVSA-N 1 0 377.941 3.847 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc(F)cc1OCC#N ZINC000775671040 872622402 /nfs/dbraw/zinc/62/24/02/872622402.db2.gz NQNDSIQZUNLGTE-UHFFFAOYSA-N 1 0 376.476 3.894 20 30 GHEDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CC(=O)NC2(C#N)CCC2)c1 ZINC000527128526 872678871 /nfs/dbraw/zinc/67/88/71/872678871.db2.gz OONMNOWFKIFOCZ-QFIPXVFZSA-N 1 0 391.515 3.748 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540992941 872689609 /nfs/dbraw/zinc/68/96/09/872689609.db2.gz COHHJHJAXVLFCT-LPHOPBHVSA-N 1 0 392.906 3.807 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CCN(CCc4ccccc4Cl)CC3)n[nH]2)cc1 ZINC001195892201 872715014 /nfs/dbraw/zinc/71/50/14/872715014.db2.gz FOSLAKSMBFVUAC-UHFFFAOYSA-N 1 0 391.906 3.966 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001195876399 872731349 /nfs/dbraw/zinc/73/13/49/872731349.db2.gz IUZIEHUIAHNPOD-SFTDATJTSA-N 1 0 382.479 3.729 20 30 GHEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)CC(=O)NC1(C#N)CCC1 ZINC000527135834 872751715 /nfs/dbraw/zinc/75/17/15/872751715.db2.gz JLTSIIHNMDXAEX-UHFFFAOYSA-N 1 0 380.492 3.549 20 30 GHEDRO N#Cc1cc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1Cl ZINC000527194563 872763813 /nfs/dbraw/zinc/76/38/13/872763813.db2.gz AIUVZQUVSLDRIT-UHFFFAOYSA-N 1 0 385.817 3.747 20 30 GHEDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000619622753 872803384 /nfs/dbraw/zinc/80/33/84/872803384.db2.gz AXNCGPJQDBFBIR-SFHVURJKSA-N 1 0 397.548 3.788 20 30 GHEDRO C=CCN1CC[C@H]([NH+]2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)C1=O ZINC000619621574 872830109 /nfs/dbraw/zinc/83/01/09/872830109.db2.gz HMZZWDZYUWCLSX-FQEVSTJZSA-N 1 0 384.520 3.608 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)CCOCC1 ZINC000619621257 872830305 /nfs/dbraw/zinc/83/03/05/872830305.db2.gz CMRIFUGQQRPYIL-HXUWFJFHSA-N 1 0 397.519 3.515 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000527236376 872853432 /nfs/dbraw/zinc/85/34/32/872853432.db2.gz FJSPDAUESLIMMK-JOCHJYFZSA-N 1 0 394.494 3.848 20 30 GHEDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541073693 872855298 /nfs/dbraw/zinc/85/52/98/872855298.db2.gz CLLUQZYAIZIZJX-ZWKOTPCHSA-N 1 0 379.504 3.807 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000767885704 872914144 /nfs/dbraw/zinc/91/41/44/872914144.db2.gz UILBYEXMXXPTBY-MJGOQNOKSA-N 1 0 390.405 3.806 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756628 872965629 /nfs/dbraw/zinc/96/56/29/872965629.db2.gz AJMHNAKUAJVVFK-KXBFYZLASA-N 1 0 382.895 3.846 20 30 GHEDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754756 872965903 /nfs/dbraw/zinc/96/59/03/872965903.db2.gz JXAMNBIQIMDYAU-ZDUSSCGKSA-N 1 0 377.897 3.824 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000552683292 872992518 /nfs/dbraw/zinc/99/25/18/872992518.db2.gz PPUPWGNQEYGQNY-PGRDOPGGSA-N 1 0 389.499 3.836 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001196312368 873005609 /nfs/dbraw/zinc/00/56/09/873005609.db2.gz NHYOVBQPPCMQCI-LJQANCHMSA-N 1 0 381.442 3.865 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCN(C)C2)cc1OCC ZINC000619771257 873010140 /nfs/dbraw/zinc/01/01/40/873010140.db2.gz WVLNUYUEHMIKIS-OAHLLOKOSA-N 1 0 383.330 3.596 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619828164 873060147 /nfs/dbraw/zinc/06/01/47/873060147.db2.gz NMHGAKXHUSJGFY-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000619809733 873062904 /nfs/dbraw/zinc/06/29/04/873062904.db2.gz HLQXIZHYWYOXSI-UNMCSNQZSA-N 1 0 398.457 3.589 20 30 GHEDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000494623097 882693179 /nfs/dbraw/zinc/69/31/79/882693179.db2.gz CAQHSVLTNWHBKF-MJGOQNOKSA-N 1 0 385.533 3.632 20 30 GHEDRO CCCCCCCOc1cccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1 ZINC000768229989 873179440 /nfs/dbraw/zinc/17/94/40/873179440.db2.gz OXUCEIXKCWWKDV-UHFFFAOYSA-N 1 0 382.570 3.549 20 30 GHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000494629871 882712110 /nfs/dbraw/zinc/71/21/10/882712110.db2.gz IETDUDOFZUIKBB-XJKSGUPXSA-N 1 0 389.546 3.570 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)no2)c1 ZINC001196756813 873355513 /nfs/dbraw/zinc/35/55/13/873355513.db2.gz WBXVSAWHKSZJBW-UHFFFAOYSA-N 1 0 378.476 3.551 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N[C@H]3CC[N@H+](CC4CCCCC4)C3)no2)c1 ZINC001196774296 873381149 /nfs/dbraw/zinc/38/11/49/873381149.db2.gz HXZMSOQLAYBIKQ-IBGZPJMESA-N 1 0 378.476 3.598 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000282080825 882742330 /nfs/dbraw/zinc/74/23/30/882742330.db2.gz ULDDGSZMIDLBLX-UHFFFAOYSA-N 1 0 384.307 3.964 20 30 GHEDRO C#CCC1(O)CC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001197264332 873682324 /nfs/dbraw/zinc/68/23/24/873682324.db2.gz LVMMNWSJOHYCSU-XMMPIXPASA-N 1 0 376.544 3.752 20 30 GHEDRO Cc1cc(C)cc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000921255701 882755144 /nfs/dbraw/zinc/75/51/44/882755144.db2.gz ZVLKDZLYMFUNGR-UHFFFAOYSA-N 1 0 380.561 3.766 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000448829308 874033029 /nfs/dbraw/zinc/03/30/29/874033029.db2.gz XARVUHPNSHNXDQ-UHFFFAOYSA-N 1 0 382.529 3.981 20 30 GHEDRO Cn1cc(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595751665 874070464 /nfs/dbraw/zinc/07/04/64/874070464.db2.gz XYODLCFTJUENCJ-XMMPIXPASA-N 1 0 399.542 3.708 20 30 GHEDRO C[NH+](C)C1(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CCCCC1 ZINC000476653939 882795511 /nfs/dbraw/zinc/79/55/11/882795511.db2.gz NPBZCGYRPOOHSI-UHFFFAOYSA-N 1 0 398.551 3.812 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700903 874139725 /nfs/dbraw/zinc/13/97/25/874139725.db2.gz GUXOIIDLQSZFLK-CTNGQTDRSA-N 1 0 384.451 3.937 20 30 GHEDRO Cc1sc2[nH]c(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)nc(=O)c2c1C ZINC000595764162 874154376 /nfs/dbraw/zinc/15/43/76/874154376.db2.gz FQMHFYFAMABSJI-UHFFFAOYSA-N 1 0 394.500 3.681 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CCCCC1 ZINC001198084744 874205575 /nfs/dbraw/zinc/20/55/75/874205575.db2.gz KQRHOHQSYRFECA-OALUTQOASA-N 1 0 383.536 3.555 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000448956157 874254432 /nfs/dbraw/zinc/25/44/32/874254432.db2.gz NPSXNZVRDYEVKI-UHFFFAOYSA-N 1 0 378.314 3.707 20 30 GHEDRO COC(=O)C[C@@]1([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)CCCOC1 ZINC000769787858 874289691 /nfs/dbraw/zinc/28/96/91/874289691.db2.gz CMDKRWFWVASBBU-QHCPKHFHSA-N 1 0 392.499 3.588 20 30 GHEDRO C[C@H]1CCC[C@H]([NH+]2CCC(=NNc3nc(=O)c4cnn(C(C)(C)C)c4[nH]3)CC2)C1 ZINC000769810999 874301617 /nfs/dbraw/zinc/30/16/17/874301617.db2.gz WYTDMIKSLBCFQL-HOCLYGCPSA-N 1 0 399.543 3.729 20 30 GHEDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000541863646 874412708 /nfs/dbraw/zinc/41/27/08/874412708.db2.gz KFNGZZGAGSZMDJ-NQIIRXRSSA-N 1 0 399.498 3.618 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCc3c4cccc(F)c4[nH]c3C2)CC1 ZINC000541906224 874528030 /nfs/dbraw/zinc/52/80/30/874528030.db2.gz FWSAICYFAUGMAP-UHFFFAOYSA-N 1 0 384.499 3.805 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000528406597 874530018 /nfs/dbraw/zinc/53/00/18/874530018.db2.gz OUXRLJYGXMZFEI-ROUUACIJSA-N 1 0 397.544 3.513 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CO)C2CCCCC2)sc2c1CCCCC2 ZINC000541981760 874697871 /nfs/dbraw/zinc/69/78/71/874697871.db2.gz DBLFWQUSPAQNOY-SFHVURJKSA-N 1 0 389.565 3.748 20 30 GHEDRO C[C@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038414 874830571 /nfs/dbraw/zinc/83/05/71/874830571.db2.gz CHOHAQZGUDHGSK-HNNXBMFYSA-N 1 0 381.443 3.787 20 30 GHEDRO CO[C@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000449484249 874934432 /nfs/dbraw/zinc/93/44/32/874934432.db2.gz LWXZQPJDLDDYQO-JOCHJYFZSA-N 1 0 375.476 3.510 20 30 GHEDRO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(OC)c(C#N)c3)o2)cc1 ZINC000775959612 874969525 /nfs/dbraw/zinc/96/95/25/874969525.db2.gz NQYWKSZFYALPTH-UHFFFAOYSA-N 1 0 376.412 3.903 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H](OC)C2CC2)cc1OC ZINC000449627609 875149649 /nfs/dbraw/zinc/14/96/49/875149649.db2.gz GRASOOGWZSRKTK-PXAZEXFGSA-N 1 0 384.314 3.926 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1O ZINC000449647979 875170158 /nfs/dbraw/zinc/17/01/58/875170158.db2.gz RESBAAVUMYRLJE-HZPDHXFCSA-N 1 0 380.488 3.585 20 30 GHEDRO CC[N@H+](CCC1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000771475842 875277827 /nfs/dbraw/zinc/27/78/27/875277827.db2.gz OAVAFLPGJFQXEC-QFIPXVFZSA-N 1 0 383.536 3.606 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)CC1 ZINC000776058704 875292087 /nfs/dbraw/zinc/29/20/87/875292087.db2.gz FEKYKAMTNUMNMU-UHFFFAOYSA-N 1 0 379.508 3.597 20 30 GHEDRO C=CCC1(C(=O)N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)CCCC1 ZINC000449802796 875404612 /nfs/dbraw/zinc/40/46/12/875404612.db2.gz MBUIMXOCMNIXRU-UHFFFAOYSA-N 1 0 391.600 3.597 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771764024 875470595 /nfs/dbraw/zinc/47/05/95/875470595.db2.gz GRFWOKMKVCIRHX-JOCHJYFZSA-N 1 0 391.515 3.505 20 30 GHEDRO CC[NH+](CC)CCCCNC(=S)Nc1ccc(C#N)cc1Br ZINC001201130985 875540283 /nfs/dbraw/zinc/54/02/83/875540283.db2.gz QLKCNNMETZAPSI-UHFFFAOYSA-N 1 0 383.359 3.729 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000179049991 882948765 /nfs/dbraw/zinc/94/87/65/882948765.db2.gz FELROMRZZKGIBE-OAQYLSRUSA-N 1 0 377.488 3.507 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000776169580 875686215 /nfs/dbraw/zinc/68/62/15/875686215.db2.gz MFMVBAHUVJEMLU-UHFFFAOYSA-N 1 0 384.867 3.874 20 30 GHEDRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000776170034 875688215 /nfs/dbraw/zinc/68/82/15/875688215.db2.gz HKPFHVDZWSKYOG-CYBMUJFWSA-N 1 0 398.406 3.581 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCSc2nc3ccccc3s2)CC1 ZINC000106038499 875712382 /nfs/dbraw/zinc/71/23/82/875712382.db2.gz IJCWFELVPWGIAH-UHFFFAOYSA-N 1 0 375.563 3.935 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001201618929 875794574 /nfs/dbraw/zinc/79/45/74/875794574.db2.gz ZNESBACUUSWDNU-UHFFFAOYSA-N 1 0 387.545 3.881 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCCc4ccccc4)C3)C2)n1 ZINC001201656491 875817511 /nfs/dbraw/zinc/81/75/11/875817511.db2.gz WJPYMQIEXMSMDD-XMMPIXPASA-N 1 0 390.531 3.505 20 30 GHEDRO COCc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000529212100 875835234 /nfs/dbraw/zinc/83/52/34/875835234.db2.gz NIQDTEOEOFTESB-HTAPYJJXSA-N 1 0 392.503 3.737 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC001201776729 875874930 /nfs/dbraw/zinc/87/49/30/875874930.db2.gz JELMBHSHESROGZ-LEWJYISDSA-N 1 0 378.582 3.634 20 30 GHEDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000777015238 882973973 /nfs/dbraw/zinc/97/39/73/882973973.db2.gz UGDWODBEVLADRM-ZOCIIQOWSA-N 1 0 378.394 3.774 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000450071918 875903225 /nfs/dbraw/zinc/90/32/25/875903225.db2.gz DHKDVNGSTRGAHV-UHFFFAOYSA-N 1 0 390.325 3.848 20 30 GHEDRO CCCCCCCCCC[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001201874776 875918867 /nfs/dbraw/zinc/91/88/67/875918867.db2.gz FUDMADOLKWHOLI-OAQYLSRUSA-N 1 0 394.600 3.857 20 30 GHEDRO C#C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCCO1 ZINC001202074752 876005055 /nfs/dbraw/zinc/00/50/55/876005055.db2.gz UDWLOMIQGMBQNB-GXTWGEPZSA-N 1 0 378.188 3.618 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2ccc(C)c(C)c2)c1 ZINC000151907500 876089308 /nfs/dbraw/zinc/08/93/08/876089308.db2.gz PLIYFVHYPRYSNL-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cc(C)ccc2C)cc1 ZINC000151912678 876106115 /nfs/dbraw/zinc/10/61/15/876106115.db2.gz BUCANKIYJGELFI-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cc(C)cc(C)c2)cc1 ZINC000151914177 876107442 /nfs/dbraw/zinc/10/74/42/876107442.db2.gz AZUOAPDAVZHQDG-UHFFFAOYSA-O 1 0 393.536 3.938 20 30 GHEDRO Cn1cc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000785615573 876150040 /nfs/dbraw/zinc/15/00/40/876150040.db2.gz PUTOESPWOQPFTA-IBGZPJMESA-N 1 0 384.842 3.574 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2ncc(Br)cc2C#N)[C@H]1c1cccs1 ZINC000450347459 876299847 /nfs/dbraw/zinc/29/98/47/876299847.db2.gz IAFKGQZPZLZDAG-LRDDRELGSA-N 1 0 391.338 3.694 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)CC1 ZINC000107162372 876315856 /nfs/dbraw/zinc/31/58/56/876315856.db2.gz UTFAJRDOGDCFDR-UHFFFAOYSA-N 1 0 378.520 3.762 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492194372 876409401 /nfs/dbraw/zinc/40/94/01/876409401.db2.gz RKALKMSALUJZIT-GOSISDBHSA-N 1 0 380.257 3.976 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443889105 876419307 /nfs/dbraw/zinc/41/93/07/876419307.db2.gz MVTOBDVNVYUIHI-UHFFFAOYSA-N 1 0 397.438 3.753 20 30 GHEDRO N#Cc1cccc(OCC[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)c1 ZINC000786106805 876449090 /nfs/dbraw/zinc/44/90/90/876449090.db2.gz BFBYRTJWPIMZSW-UHFFFAOYSA-N 1 0 393.487 3.575 20 30 GHEDRO C[NH+](C)C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)c(Cl)c1 ZINC000529670388 876494998 /nfs/dbraw/zinc/49/49/98/876494998.db2.gz TUZNEHIJCWAPLR-SFHVURJKSA-N 1 0 388.302 3.905 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)cc2)nc1 ZINC000529718031 876557588 /nfs/dbraw/zinc/55/75/88/876557588.db2.gz HVLZPQQJNAFZSI-FQEVSTJZSA-N 1 0 390.487 3.882 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)ccc1OC ZINC000850135802 876690335 /nfs/dbraw/zinc/69/03/35/876690335.db2.gz QSSZWYWZYWYBNJ-CTNGQTDRSA-N 1 0 396.487 3.834 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000609347812 883067524 /nfs/dbraw/zinc/06/75/24/883067524.db2.gz CEHFCNMZMNVOHY-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C=CCCSCC[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000850354522 876845147 /nfs/dbraw/zinc/84/51/47/876845147.db2.gz MAACXJJNPUBSDB-UHFFFAOYSA-N 1 0 383.583 3.835 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c(C(F)(F)F)c1 ZINC000850413373 876892555 /nfs/dbraw/zinc/89/25/55/876892555.db2.gz CVJPPKXJABBPJD-UHFFFAOYSA-N 1 0 388.393 3.787 20 30 GHEDRO N#Cc1ccc(Br)c(COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000786877004 876997892 /nfs/dbraw/zinc/99/78/92/876997892.db2.gz BMBQQGYFGGTDFX-QGZVFWFLSA-N 1 0 377.282 3.771 20 30 GHEDRO CN(CCC#N)c1ccc(CNc2ccc(Cl)c(C[N@H+](C)CCO)c2)cc1 ZINC000787000428 877073558 /nfs/dbraw/zinc/07/35/58/877073558.db2.gz RNEUBZOEVOACQU-UHFFFAOYSA-N 1 0 386.927 3.726 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000787034133 877110867 /nfs/dbraw/zinc/11/08/67/877110867.db2.gz JFQHFOUOEUNBCT-KSFYIVLOSA-N 1 0 387.483 3.990 20 30 GHEDRO C#CC[N@@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000787250328 877266433 /nfs/dbraw/zinc/26/64/33/877266433.db2.gz TXKXQOWVTUEWSY-TZMCWYRMSA-N 1 0 392.215 3.521 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000610001250 877274469 /nfs/dbraw/zinc/27/44/69/877274469.db2.gz MTZOGGACCMPTBD-QGZVFWFLSA-N 1 0 388.943 3.738 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@@H]1c1ccccc1 ZINC000746674054 877325964 /nfs/dbraw/zinc/32/59/64/877325964.db2.gz MRRMISWDGIVCOO-QUCCMNQESA-N 1 0 386.499 3.936 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451099769 877390923 /nfs/dbraw/zinc/39/09/23/877390923.db2.gz NMUJMMZBTBMVPH-KRWDZBQOSA-N 1 0 380.448 3.809 20 30 GHEDRO CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CC[N@H+](CC)C1 ZINC000596677785 877408362 /nfs/dbraw/zinc/40/83/62/877408362.db2.gz FGAVZUTVQRCMJU-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO C=CCOc1cccc(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1 ZINC000551584331 877498316 /nfs/dbraw/zinc/49/83/16/877498316.db2.gz BEVQGZZMAULNHN-UHFFFAOYSA-N 1 0 399.434 3.964 20 30 GHEDRO CC[N@H+](CCCC(=O)NC1=CC(=O)CC(C)(C)C1)[C@H](C)Cc1ccc(O)cc1 ZINC001183059386 912253003 /nfs/dbraw/zinc/25/30/03/912253003.db2.gz XACZPONPRQMRQE-QGZVFWFLSA-N 1 0 386.536 3.815 20 30 GHEDRO CC(C)(C[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)C(N)=O ZINC000451219837 877603865 /nfs/dbraw/zinc/60/38/65/877603865.db2.gz UPYOHVUFYFJDTM-INIZCTEOSA-N 1 0 382.426 3.550 20 30 GHEDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000285398135 912275028 /nfs/dbraw/zinc/27/50/28/912275028.db2.gz DZZZYHDPNIYKTH-UHFFFAOYSA-N 1 0 383.448 3.846 20 30 GHEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551802835 877819924 /nfs/dbraw/zinc/81/99/24/877819924.db2.gz USEOLWFXRDKXQG-UHFFFAOYSA-N 1 0 389.381 3.567 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1OC ZINC000851646272 877853425 /nfs/dbraw/zinc/85/34/25/877853425.db2.gz SRCVCVYORRUYSN-HRCHSMGBSA-N 1 0 394.471 3.573 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnn(-c4ccccc4)c3)C2)c(F)c1 ZINC000237714353 877854895 /nfs/dbraw/zinc/85/48/95/877854895.db2.gz MPAYWNZGGMZWBZ-LJQANCHMSA-N 1 0 375.451 3.642 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000110174536 877893943 /nfs/dbraw/zinc/89/39/43/877893943.db2.gz BCTDSGQQHOZYOX-OAQYLSRUSA-N 1 0 399.922 3.984 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000615691441 878014725 /nfs/dbraw/zinc/01/47/25/878014725.db2.gz OWCWUMLXGSMCDO-UHFFFAOYSA-N 1 0 391.556 3.885 20 30 GHEDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451542384 878109123 /nfs/dbraw/zinc/10/91/23/878109123.db2.gz JPHRSZBTROCBSS-RHSMWYFYSA-N 1 0 375.538 3.574 20 30 GHEDRO CC(C)Oc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000788507423 878113608 /nfs/dbraw/zinc/11/36/08/878113608.db2.gz MICMVJSGTJSIKJ-UHFFFAOYSA-N 1 0 375.476 3.936 20 30 GHEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460567171 878167570 /nfs/dbraw/zinc/16/75/70/878167570.db2.gz NZNVPFCRJYKRAH-SFHVURJKSA-N 1 0 390.535 3.686 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](CC)CC1 ZINC000460560570 878186828 /nfs/dbraw/zinc/18/68/28/878186828.db2.gz VDXNLGFFPPSYDP-MRXNPFEDSA-N 1 0 389.931 3.790 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460578675 878217959 /nfs/dbraw/zinc/21/79/59/878217959.db2.gz TUJVPSDQRNSSJJ-GOSISDBHSA-N 1 0 385.943 3.771 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000451673109 878293293 /nfs/dbraw/zinc/29/32/93/878293293.db2.gz KGUVMLLGYQYFTE-IGABQKFOSA-N 1 0 381.516 3.785 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c(C#N)c1C ZINC000451705152 878330435 /nfs/dbraw/zinc/33/04/35/878330435.db2.gz HYHIBNUFOSQNBB-FUHWJXTLSA-N 1 0 394.519 3.549 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000285559301 912339411 /nfs/dbraw/zinc/33/94/11/912339411.db2.gz HDVYKELMINEPCU-INIZCTEOSA-N 1 0 395.503 3.904 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 ZINC000180044279 878399698 /nfs/dbraw/zinc/39/96/98/878399698.db2.gz RRSJTPJPNXSOHG-FQEVSTJZSA-N 1 0 377.488 3.814 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](O)CC(C)(C)C3)sc2C1 ZINC000451817210 878522671 /nfs/dbraw/zinc/52/26/71/878522671.db2.gz YVXGTKXOKQDPII-HUUCEWRRSA-N 1 0 389.565 3.556 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000852728670 878553719 /nfs/dbraw/zinc/55/37/19/878553719.db2.gz FTROCGSJHCOSFB-PNHOKKKMSA-N 1 0 385.895 3.886 20 30 GHEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731981 878562116 /nfs/dbraw/zinc/56/21/16/878562116.db2.gz OVYFNUJFTMCKNK-KPOBHBOGSA-N 1 0 385.895 3.886 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC001170096664 878577478 /nfs/dbraw/zinc/57/74/78/878577478.db2.gz YVGGGLUEXBVACT-MAUKXSAKSA-N 1 0 392.421 3.880 20 30 GHEDRO COc1cccc([C@@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000852846856 878633344 /nfs/dbraw/zinc/63/33/44/878633344.db2.gz YROUYSNAZCRFOQ-JOCHJYFZSA-N 1 0 382.891 3.557 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000068583372 878759318 /nfs/dbraw/zinc/75/93/18/878759318.db2.gz OXBQBEZDNVPNMK-UHFFFAOYSA-N 1 0 393.506 3.678 20 30 GHEDRO C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000460931548 878851376 /nfs/dbraw/zinc/85/13/76/878851376.db2.gz UVISKECVTMYQNQ-UHFFFAOYSA-N 1 0 391.972 3.942 20 30 GHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460942683 878863925 /nfs/dbraw/zinc/86/39/25/878863925.db2.gz CPQYMHFKKYAJCA-YLJYHZDGSA-N 1 0 385.531 3.751 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460943759 878866439 /nfs/dbraw/zinc/86/64/39/878866439.db2.gz AMQMPDNPUJKGRV-GOSISDBHSA-N 1 0 376.508 3.560 20 30 GHEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460964422 878875878 /nfs/dbraw/zinc/87/58/78/878875878.db2.gz TXNNCLZCNQBHJU-LJQANCHMSA-N 1 0 392.551 3.952 20 30 GHEDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000789366351 878905145 /nfs/dbraw/zinc/90/51/45/878905145.db2.gz MJCDOBCRMXIFNS-MRXNPFEDSA-N 1 0 392.459 3.536 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000477769147 878926061 /nfs/dbraw/zinc/92/60/61/878926061.db2.gz PMGGPQFZBDEAKU-UHFFFAOYSA-N 1 0 388.471 3.550 20 30 GHEDRO N#Cc1c(F)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC000597394216 878962246 /nfs/dbraw/zinc/96/22/46/878962246.db2.gz NELLOQGWIXMJKZ-JTSKRJEESA-N 1 0 395.453 3.963 20 30 GHEDRO N#CC1(c2ccc(C(=O)N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)CC1 ZINC000285730043 912408006 /nfs/dbraw/zinc/40/80/06/912408006.db2.gz IWEQLFTVFDGSFU-XMMPIXPASA-N 1 0 385.511 3.980 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000538212530 879026144 /nfs/dbraw/zinc/02/61/44/879026144.db2.gz NSIKGTAQYUOREU-KKSFZXQISA-N 1 0 385.458 3.846 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2cccnc2)[n+]2cccc(C)c2)s1 ZINC000068866222 879111824 /nfs/dbraw/zinc/11/18/24/879111824.db2.gz VGPLMTOXXLTPJJ-UHFFFAOYSA-O 1 0 396.561 3.819 20 30 GHEDRO COCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000789695925 879176275 /nfs/dbraw/zinc/17/62/75/879176275.db2.gz IYXTWYVFNAANPB-KRWDZBQOSA-N 1 0 387.524 3.873 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc(C#N)c1 ZINC000789698908 879180505 /nfs/dbraw/zinc/18/05/05/879180505.db2.gz UGHDSNFXRVYLRG-WNSKOXEYSA-N 1 0 388.471 3.634 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000180716968 879240430 /nfs/dbraw/zinc/24/04/30/879240430.db2.gz IASWRUGUBGMBLT-SFHVURJKSA-N 1 0 377.916 3.893 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1O ZINC000795697085 912447387 /nfs/dbraw/zinc/44/73/87/912447387.db2.gz BSFQJYOFPIJXGF-UHFFFAOYSA-N 1 0 379.460 3.854 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246330534 879402916 /nfs/dbraw/zinc/40/29/16/879402916.db2.gz HZXDRGNRRGGUPO-YPAWHYETSA-N 1 0 396.579 3.908 20 30 GHEDRO CC1(C)CN(C(=O)c2ccc(C#N)nc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452449156 879460503 /nfs/dbraw/zinc/46/05/03/879460503.db2.gz AVSVULGEOQMBOS-JOCHJYFZSA-N 1 0 388.515 3.716 20 30 GHEDRO Cn1cc(-c2ccnc(C3CC[NH+](Cc4ccc(C#N)cc4Cl)CC3)n2)cn1 ZINC000854103862 879537936 /nfs/dbraw/zinc/53/79/36/879537936.db2.gz MBCHTYMHLDBDQL-UHFFFAOYSA-N 1 0 392.894 3.782 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000790285812 879568644 /nfs/dbraw/zinc/56/86/44/879568644.db2.gz ODCQQZXOBDJDSM-UHFFFAOYSA-N 1 0 386.417 3.969 20 30 GHEDRO Cc1cccc(N2CCN(CCC[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)c1 ZINC000538508546 879629195 /nfs/dbraw/zinc/62/91/95/879629195.db2.gz RYVHSHYLRSIKLS-IBGZPJMESA-N 1 0 380.511 3.869 20 30 GHEDRO Cc1cccc(N2CCN(CCC[NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)c1 ZINC000538508547 879629570 /nfs/dbraw/zinc/62/95/70/879629570.db2.gz RYVHSHYLRSIKLS-LJQANCHMSA-N 1 0 380.511 3.869 20 30 GHEDRO N#CCn1c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC000609168099 879940151 /nfs/dbraw/zinc/94/01/51/879940151.db2.gz YIBRMPFSQPPUHX-HXUWFJFHSA-N 1 0 386.499 3.807 20 30 GHEDRO C#C[C@H](CCC)NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000791066919 880186183 /nfs/dbraw/zinc/18/61/83/880186183.db2.gz GWIAAZINZHDVDS-GOSISDBHSA-N 1 0 381.442 3.725 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000855303149 880421869 /nfs/dbraw/zinc/42/18/69/880421869.db2.gz WCAFZDWMNJLNGK-HSZRJFAPSA-N 1 0 376.504 3.621 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)C1 ZINC000776822044 880596596 /nfs/dbraw/zinc/59/65/96/880596596.db2.gz LLWRIDODYVYMCY-CJNGLKHVSA-N 1 0 394.313 3.667 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](OC(C)C)c2ccccc2OC)CC1 ZINC000185686131 880658914 /nfs/dbraw/zinc/65/89/14/880658914.db2.gz CEAKUZIPERRKIW-OAQYLSRUSA-N 1 0 389.540 3.501 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(CCOCc3ccccc3)CC2)CC1 ZINC000185686245 880660621 /nfs/dbraw/zinc/66/06/21/880660621.db2.gz IESMDHVVYVNXSL-UHFFFAOYSA-N 1 0 385.552 3.713 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000186342494 880860915 /nfs/dbraw/zinc/86/09/15/880860915.db2.gz HNZIOZMCOCAQMY-UHFFFAOYSA-N 1 0 386.540 3.769 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCCC3(CCOCC3)C2)sc2c1CCCC2 ZINC000265989817 880872919 /nfs/dbraw/zinc/87/29/19/880872919.db2.gz FEDBKYAGFPSCJY-UHFFFAOYSA-N 1 0 387.549 3.720 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nnc1[C@]1(C)CCCO1 ZINC000453442391 880904533 /nfs/dbraw/zinc/90/45/33/880904533.db2.gz PIWCZPRIJIAFKK-KNQAVFIVSA-N 1 0 387.572 3.582 20 30 GHEDRO C=CCn1c(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nnc1[C@]1(C)CCCO1 ZINC000453444813 880909978 /nfs/dbraw/zinc/90/99/78/880909978.db2.gz TVCQYOVXDURYLQ-KNKQGSTJSA-N 1 0 387.572 3.581 20 30 GHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453426865 880926163 /nfs/dbraw/zinc/92/61/63/880926163.db2.gz TWUFGHPHTRIFGS-SFTDATJTSA-N 1 0 395.551 3.630 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453429417 880932060 /nfs/dbraw/zinc/93/20/60/880932060.db2.gz BIJUDHZTIKXCCL-UHFFFAOYSA-N 1 0 383.540 3.526 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000453453601 880944299 /nfs/dbraw/zinc/94/42/99/880944299.db2.gz ONOCXTJZIGRAOZ-GOSISDBHSA-N 1 0 395.551 3.840 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C[N@@H+](C)CCCC)CC2)nnc1[C@]1(C)CCCO1 ZINC000453461218 880961451 /nfs/dbraw/zinc/96/14/51/880961451.db2.gz GATXHTOYKRTBLH-QFIPXVFZSA-N 1 0 389.588 3.828 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC000186870902 881009223 /nfs/dbraw/zinc/00/92/23/881009223.db2.gz ZZZYEXCDRMDEKK-UHFFFAOYSA-N 1 0 395.891 3.770 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1Cl ZINC000532067035 881016064 /nfs/dbraw/zinc/01/60/64/881016064.db2.gz JWGDOWDSWQNVHA-UHFFFAOYSA-N 1 0 377.893 3.524 20 30 GHEDRO N#C[C@]1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCc2ccccc2C1 ZINC000186897804 881016973 /nfs/dbraw/zinc/01/69/73/881016973.db2.gz YNNQIBZJZIXASR-URXFXBBRSA-N 1 0 391.490 3.605 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000113972862 881020399 /nfs/dbraw/zinc/02/03/99/881020399.db2.gz DYOVCPQYCRGAQD-OAQYLSRUSA-N 1 0 398.551 3.821 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000114022619 881056286 /nfs/dbraw/zinc/05/62/86/881056286.db2.gz KBCVUICDOPFOJL-KPLVRAHFSA-N 1 0 386.540 3.677 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000114038532 881060194 /nfs/dbraw/zinc/06/01/94/881060194.db2.gz FNAZUMAICXWLCQ-WOJBJXKFSA-N 1 0 384.524 3.527 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000286222763 912637820 /nfs/dbraw/zinc/63/78/20/912637820.db2.gz SLWDVZDDGJWFRD-QGZVFWFLSA-N 1 0 390.487 3.834 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccco1 ZINC000286227271 912639417 /nfs/dbraw/zinc/63/94/17/912639417.db2.gz SQNVZALINQIWPD-LJQANCHMSA-N 1 0 376.522 3.905 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1OCC ZINC000188848553 881305643 /nfs/dbraw/zinc/30/56/43/881305643.db2.gz QQYKSGJTNSZILT-HIFRSBDPSA-N 1 0 384.314 3.663 20 30 GHEDRO C=CCCC1(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000475757576 883258167 /nfs/dbraw/zinc/25/81/67/883258167.db2.gz JZEAUYCOLPJJHF-UHFFFAOYSA-N 1 0 375.944 3.715 20 30 GHEDRO COc1cccc(N2CC[C@H](C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)c1 ZINC000286326086 912693070 /nfs/dbraw/zinc/69/30/70/912693070.db2.gz XTTOZBVYKMHIOV-HXUWFJFHSA-N 1 0 390.531 3.652 20 30 GHEDRO CC(C)c1ccc2ncc(C#N)c(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000774657904 912693906 /nfs/dbraw/zinc/69/39/06/912693906.db2.gz MKFXEJFAJFAIGL-HXUWFJFHSA-N 1 0 378.520 3.707 20 30 GHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000173389471 883347965 /nfs/dbraw/zinc/34/79/65/883347965.db2.gz FBVUUFFQBPRIFH-FQEVSTJZSA-N 1 0 395.528 3.613 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3F)CC2)cc1 ZINC000609553260 883364477 /nfs/dbraw/zinc/36/44/77/883364477.db2.gz LMQNTPHUFBZPSZ-OAQYLSRUSA-N 1 0 382.479 3.586 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000102466248 883398020 /nfs/dbraw/zinc/39/80/20/883398020.db2.gz BUKGGPPBYVCMBO-KRWDZBQOSA-N 1 0 381.476 3.725 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000804905856 883468646 /nfs/dbraw/zinc/46/86/46/883468646.db2.gz AIAQLVIJFZQJST-QHCPKHFHSA-N 1 0 375.516 3.716 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000609658998 883497619 /nfs/dbraw/zinc/49/76/19/883497619.db2.gz GVBXRLFOVIQFMX-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CC[NH+](C)CC1 ZINC000609664165 883509200 /nfs/dbraw/zinc/50/92/00/883509200.db2.gz SCULRVRBQYLZFK-KRWDZBQOSA-N 1 0 377.488 3.597 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000477041994 883632906 /nfs/dbraw/zinc/63/29/06/883632906.db2.gz HMMYANBVVYTNKQ-REWPJTCUSA-N 1 0 383.536 3.831 20 30 GHEDRO CC[C@@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476471 883638717 /nfs/dbraw/zinc/63/87/17/883638717.db2.gz FEYWQAXAGPREAU-NNZMDNLPSA-N 1 0 378.561 3.521 20 30 GHEDRO CC[C@H]1CC(NC2(C#N)CC[NH+](C)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476480 883642447 /nfs/dbraw/zinc/64/24/47/883642447.db2.gz FEYWQAXAGPREAU-ROUUACIJSA-N 1 0 378.561 3.521 20 30 GHEDRO C#C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1F ZINC000805169234 883652359 /nfs/dbraw/zinc/65/23/59/883652359.db2.gz ASYBFIWRYMILBX-LJQANCHMSA-N 1 0 377.891 3.860 20 30 GHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000609877800 883765560 /nfs/dbraw/zinc/76/55/60/883765560.db2.gz PGRUNRXEGUQGFU-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(F)(F)F)cn1)C(=S)NC(C)C ZINC000286476482 912765273 /nfs/dbraw/zinc/76/52/73/912765273.db2.gz LDWLQFKGYAUNOT-UHFFFAOYSA-O 1 0 396.458 3.887 20 30 GHEDRO N#CCOc1cccc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000760224059 883919896 /nfs/dbraw/zinc/91/98/96/883919896.db2.gz SGCMQXIHZIQTRW-OAQYLSRUSA-N 1 0 397.906 3.738 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000805784032 884068119 /nfs/dbraw/zinc/06/81/19/884068119.db2.gz DWNNLXCAKBJOKW-DEOSSOPVSA-N 1 0 389.543 3.847 20 30 GHEDRO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001275241599 912795068 /nfs/dbraw/zinc/79/50/68/912795068.db2.gz FTLKQHRZQCKVDW-LJQANCHMSA-N 1 0 393.325 3.688 20 30 GHEDRO COc1cccc(CC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000612123253 884240048 /nfs/dbraw/zinc/24/00/48/884240048.db2.gz ORQSHCSEBIGJSF-UHFFFAOYSA-N 1 0 377.488 3.850 20 30 GHEDRO Cc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)ccc1OCC[NH+]1CCCC1 ZINC000556254082 884244046 /nfs/dbraw/zinc/24/40/46/884244046.db2.gz BUOAIVLTSASBED-UHFFFAOYSA-N 1 0 392.503 3.660 20 30 GHEDRO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1 ZINC000860038008 884280380 /nfs/dbraw/zinc/28/03/80/884280380.db2.gz MMYXUFJDHHQNLW-LEAZDLGRSA-N 1 0 397.519 3.644 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000860057179 884298611 /nfs/dbraw/zinc/29/86/11/884298611.db2.gz MSNJPNWYGNUEDO-LJQANCHMSA-N 1 0 393.462 3.969 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000127559010 884307157 /nfs/dbraw/zinc/30/71/57/884307157.db2.gz JIMNLXORERFTLZ-RPWUZVMVSA-N 1 0 399.494 3.639 20 30 GHEDRO CCOC(=O)C1([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCOCC1 ZINC000897741402 884457038 /nfs/dbraw/zinc/45/70/38/884457038.db2.gz DZSMPQLAIWSJMO-NLMOZGTASA-N 1 0 384.520 3.729 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000102802813 884464652 /nfs/dbraw/zinc/46/46/52/884464652.db2.gz VQTICORYAOUCLA-HNNXBMFYSA-N 1 0 390.390 3.711 20 30 GHEDRO C(=[NH+]OCc1ccn(CCc2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000842017806 884543023 /nfs/dbraw/zinc/54/30/23/884543023.db2.gz RUFNUVPJTPJNIF-UHFFFAOYSA-N 1 0 390.487 3.513 20 30 GHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000263262414 884573317 /nfs/dbraw/zinc/57/33/17/884573317.db2.gz SZLNBXODNSUEAA-UHFFFAOYSA-N 1 0 381.354 3.673 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)c2ccc(C#N)cc2)CC1 ZINC000860338027 884576638 /nfs/dbraw/zinc/57/66/38/884576638.db2.gz ZTTWKJNIQHIODD-QGZVFWFLSA-N 1 0 376.504 3.573 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)c1 ZINC000898161589 884621135 /nfs/dbraw/zinc/62/11/35/884621135.db2.gz IHOLFKBVNQVGMX-UHFFFAOYSA-N 1 0 395.812 3.721 20 30 GHEDRO C#CC[C@]1(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CCCN1C(=O)OC(C)(C)C ZINC001299187575 884666609 /nfs/dbraw/zinc/66/66/09/884666609.db2.gz HPWSTAYVMYFXLA-HSZRJFAPSA-N 1 0 399.535 3.788 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)CSc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000103063875 884702905 /nfs/dbraw/zinc/70/29/05/884702905.db2.gz PLQDBSIAWMGPGX-FQEVSTJZSA-N 1 0 395.528 3.612 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000806638079 884889434 /nfs/dbraw/zinc/88/94/34/884889434.db2.gz COLRRSDPCQBCGL-UHFFFAOYSA-N 1 0 381.545 3.805 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000110353421 884985436 /nfs/dbraw/zinc/98/54/36/884985436.db2.gz FJFBROQMAJUUGD-INIZCTEOSA-N 1 0 376.460 3.501 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CCOCC2)sc2c1CCCC2 ZINC000537525905 884995278 /nfs/dbraw/zinc/99/52/78/884995278.db2.gz JCMLEGCPTUMREX-GOSISDBHSA-N 1 0 387.549 3.718 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460375768 885096723 /nfs/dbraw/zinc/09/67/23/885096723.db2.gz YWBMPRAPUCFQJA-RDGPPVDQSA-N 1 0 389.588 3.692 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000248905123 885187638 /nfs/dbraw/zinc/18/76/38/885187638.db2.gz UTXDATRSMAIFDW-FDDCHVKYSA-N 1 0 388.515 3.753 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3ccc(C#N)cc3)CC2)c1C ZINC000104074657 885249956 /nfs/dbraw/zinc/24/99/56/885249956.db2.gz VKILGBZRXRRZPA-UHFFFAOYSA-N 1 0 378.520 3.675 20 30 GHEDRO COc1cccc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000194878112 885294426 /nfs/dbraw/zinc/29/44/26/885294426.db2.gz PKKXCBLHXGMOFW-QFIPXVFZSA-N 1 0 375.472 3.552 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000556544629 885299878 /nfs/dbraw/zinc/29/98/78/885299878.db2.gz GAIGLFCAALAVKH-DYVFJYSZSA-N 1 0 380.330 3.698 20 30 GHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000032247160 885304469 /nfs/dbraw/zinc/30/44/69/885304469.db2.gz KXPRGNKJOMICGO-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO N#Cc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)ccc1Cl ZINC000542555864 885674434 /nfs/dbraw/zinc/67/44/34/885674434.db2.gz WSAYJCUHBUVCGJ-UHFFFAOYSA-N 1 0 377.941 3.693 20 30 GHEDRO CC[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000495433164 885756319 /nfs/dbraw/zinc/75/63/19/885756319.db2.gz NLELYTURYMACRR-IBGZPJMESA-N 1 0 378.476 3.525 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000537591945 885817805 /nfs/dbraw/zinc/81/78/05/885817805.db2.gz KVQPHLCMPSDAIP-BVAGGSTKSA-N 1 0 399.538 3.955 20 30 GHEDRO COc1ccc([C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000915215848 886028219 /nfs/dbraw/zinc/02/82/19/886028219.db2.gz OBSGJWINNNHEJL-WMZHIEFXSA-N 1 0 398.466 3.973 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001131238633 886239421 /nfs/dbraw/zinc/23/94/21/886239421.db2.gz BYKBTGWVPZLSMC-FQEVSTJZSA-N 1 0 379.504 3.629 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccnc3OCC(F)(F)F)CC2)cc1 ZINC000556876258 886410685 /nfs/dbraw/zinc/41/06/85/886410685.db2.gz JDACIEROJMQSCY-UHFFFAOYSA-N 1 0 390.409 3.653 20 30 GHEDRO COc1cccc([C@H](O)C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000862543293 886455342 /nfs/dbraw/zinc/45/53/42/886455342.db2.gz GEOLWHJCNJUFLS-XMMPIXPASA-N 1 0 393.531 3.991 20 30 GHEDRO C#CC[C@H](COC)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000862548597 886459879 /nfs/dbraw/zinc/45/98/79/886459879.db2.gz IOOSJRWLURXUOA-WCQYABFASA-N 1 0 376.806 3.704 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000079798121 886494767 /nfs/dbraw/zinc/49/47/67/886494767.db2.gz IVVRAZZYZNWSMP-NPPFBWRTSA-N 1 0 376.504 3.972 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3Cc4ccc(OC)cc4C3)CC2)C1 ZINC001168260388 886895325 /nfs/dbraw/zinc/89/53/25/886895325.db2.gz IHDTVZDTKMATOD-FQEVSTJZSA-N 1 0 384.520 3.663 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC1(Br)CC1 ZINC000863275311 886993034 /nfs/dbraw/zinc/99/30/34/886993034.db2.gz RDWLKKSAOLOOPB-UHFFFAOYSA-N 1 0 385.375 3.512 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000729627474 887022539 /nfs/dbraw/zinc/02/25/39/887022539.db2.gz NLTHXMIHBSJAEP-NRFANRHFSA-N 1 0 380.536 3.918 20 30 GHEDRO CCCC#CC(=O)Nc1cc(C)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001184268794 913109422 /nfs/dbraw/zinc/10/94/22/913109422.db2.gz XPCVAAGVFXXALG-UHFFFAOYSA-N 1 0 378.520 3.846 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000487988424 887185520 /nfs/dbraw/zinc/18/55/20/887185520.db2.gz YUCJLSRBLCCMJJ-CQSZACIVSA-N 1 0 391.313 3.660 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670214422 887196781 /nfs/dbraw/zinc/19/67/81/887196781.db2.gz IEQDPLBXGLWILZ-GOSISDBHSA-N 1 0 381.524 3.594 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC001168497757 887321948 /nfs/dbraw/zinc/32/19/48/887321948.db2.gz NWQIIAPPBZQGEB-JOCHJYFZSA-N 1 0 393.462 3.976 20 30 GHEDRO Cc1nccn1-c1ccc(-c2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)cn1 ZINC000809376413 887349808 /nfs/dbraw/zinc/34/98/08/887349808.db2.gz TXRMILPZIADMHG-UHFFFAOYSA-N 1 0 395.382 3.819 20 30 GHEDRO N#CC1(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)CCC1 ZINC000536612573 887565682 /nfs/dbraw/zinc/56/56/82/887565682.db2.gz VWYWNXWRZJCMHH-UHFFFAOYSA-N 1 0 388.515 3.684 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000532674716 887586989 /nfs/dbraw/zinc/58/69/89/887586989.db2.gz AKFSLUPFCBCZEH-IBGZPJMESA-N 1 0 376.456 3.671 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000864328991 887706184 /nfs/dbraw/zinc/70/61/84/887706184.db2.gz PKSDVEIPUDWKIS-JARZOMNASA-N 1 0 396.487 3.820 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000864328994 887706354 /nfs/dbraw/zinc/70/63/54/887706354.db2.gz PKSDVEIPUDWKIS-ZMOVQZPESA-N 1 0 396.487 3.820 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C(F)(F)F ZINC001168501871 887714262 /nfs/dbraw/zinc/71/42/62/887714262.db2.gz QGJRGIZRYKILLB-JKSUJKDBSA-N 1 0 383.414 3.978 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000488029801 887742212 /nfs/dbraw/zinc/74/22/12/887742212.db2.gz VUBKTPPTJPFJSO-NRFANRHFSA-N 1 0 381.476 3.541 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CC[C@@H](O)c3ccc(Cl)c(Cl)c3)n2c1 ZINC000809754824 887797465 /nfs/dbraw/zinc/79/74/65/887797465.db2.gz FADFNDSTLUEOAL-QGZVFWFLSA-N 1 0 375.259 3.726 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000188765459 887855891 /nfs/dbraw/zinc/85/58/91/887855891.db2.gz WYQMARQLDKZLRW-IBGZPJMESA-N 1 0 393.491 3.723 20 30 GHEDRO CC[NH+](CC)CCS(=O)(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000810048324 888095992 /nfs/dbraw/zinc/09/59/92/888095992.db2.gz BJOVKGROTRWPFL-AWEZNQCLSA-N 1 0 387.851 3.502 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000810088177 888143413 /nfs/dbraw/zinc/14/34/13/888143413.db2.gz VGJSROXYCLFCPQ-NHCUHLMSSA-N 1 0 399.535 3.561 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)CC1 ZINC000794809523 888171440 /nfs/dbraw/zinc/17/14/40/888171440.db2.gz QQYQGEFACGWSEQ-UHFFFAOYSA-N 1 0 394.494 3.756 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2sccc2CC#N)ccc1OC ZINC000865074212 888172561 /nfs/dbraw/zinc/17/25/61/888172561.db2.gz RHUPLIACGHFACF-UHFFFAOYSA-N 1 0 387.505 3.796 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2c(-c3cccs3)nc3ccccn32)CC1 ZINC000810183507 888268158 /nfs/dbraw/zinc/26/81/58/888268158.db2.gz ZJEDQLWNNIICPG-UHFFFAOYSA-N 1 0 381.505 3.835 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C1=CC[N@H+](C)CC1 ZINC000272683745 888405143 /nfs/dbraw/zinc/40/51/43/888405143.db2.gz LKTSUTXSABQEER-QGZVFWFLSA-N 1 0 375.472 3.517 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000796076907 913246113 /nfs/dbraw/zinc/24/61/13/913246113.db2.gz BWBQPMIKFOIIPV-QFIPXVFZSA-N 1 0 391.515 3.692 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(C#N)cc2F)c2ccccc2)CC1 ZINC000609240015 888452645 /nfs/dbraw/zinc/45/26/45/888452645.db2.gz JKLUMMZFCXENDY-JOCHJYFZSA-N 1 0 394.494 3.970 20 30 GHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)NCc3cccc(C#N)c3)oc21 ZINC000542586623 888695049 /nfs/dbraw/zinc/69/50/49/888695049.db2.gz FTCCKMGNEBLSKY-OAHLLOKOSA-N 1 0 377.444 3.670 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(C#N)c[nH]c3c2)[C@H]1c1cccs1 ZINC000866058146 888712999 /nfs/dbraw/zinc/71/29/99/888712999.db2.gz UXDKXQCDJZFXEA-QRWLVFNGSA-N 1 0 378.501 3.914 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(OC)c2OC)no1 ZINC001211975303 888765531 /nfs/dbraw/zinc/76/55/31/888765531.db2.gz CNBHAIKHFLNGJH-RDJZCZTQSA-N 1 0 389.496 3.832 20 30 GHEDRO N#Cc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)co1 ZINC000866241037 888794428 /nfs/dbraw/zinc/79/44/28/888794428.db2.gz UCVYMYKFOHYOCO-MRXNPFEDSA-N 1 0 391.393 3.678 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2c(ccnc2Cl)o1 ZINC000866347695 888840049 /nfs/dbraw/zinc/84/00/49/888840049.db2.gz WLLHVFTVHSUTNN-DYVFJYSZSA-N 1 0 394.862 3.805 20 30 GHEDRO S=C(NN=Cc1ccccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916306959 888908793 /nfs/dbraw/zinc/90/87/93/888908793.db2.gz JFNZPJAJFGJIJO-UHFFFAOYSA-N 1 0 386.952 3.803 20 30 GHEDRO S=C(NN=Cc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916306926 888909178 /nfs/dbraw/zinc/90/91/78/888909178.db2.gz HLSJEJFGHWPGSC-UHFFFAOYSA-N 1 0 386.952 3.803 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)O[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000810850513 888910241 /nfs/dbraw/zinc/91/02/41/888910241.db2.gz MHLRQNBHHCEGBM-IRLDBZIGSA-N 1 0 376.456 3.921 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000454457317 889068638 /nfs/dbraw/zinc/06/86/38/889068638.db2.gz FMKJGWQJZBVUDW-LPHOPBHVSA-N 1 0 388.943 3.934 20 30 GHEDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000868157534 889327181 /nfs/dbraw/zinc/32/71/81/889327181.db2.gz GDMZVDWZPQLNTI-QGZVFWFLSA-N 1 0 379.302 3.550 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C(F)(F)F)c1 ZINC000868210775 889354246 /nfs/dbraw/zinc/35/42/46/889354246.db2.gz QPPVMESEOIFZHG-QZTJIDSGSA-N 1 0 394.441 3.583 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C(F)(F)F)c1 ZINC000868210776 889354462 /nfs/dbraw/zinc/35/44/62/889354462.db2.gz QPPVMESEOIFZHG-ROUUACIJSA-N 1 0 394.441 3.583 20 30 GHEDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000811492258 889643489 /nfs/dbraw/zinc/64/34/89/889643489.db2.gz ZLQZEIPETKVHPV-ZDUSSCGKSA-N 1 0 383.414 3.924 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)sc2c1CCCC2 ZINC000533080708 889707500 /nfs/dbraw/zinc/70/75/00/889707500.db2.gz QSUPNLHJMDGARH-CVEARBPZSA-N 1 0 387.549 3.576 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@H]1C(F)(F)F ZINC001168517162 889776068 /nfs/dbraw/zinc/77/60/68/889776068.db2.gz DNXIKFLOXWBCJD-AJNGGQMLSA-N 1 0 375.435 3.989 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C(F)(F)F)c1 ZINC001132904006 889810432 /nfs/dbraw/zinc/81/04/32/889810432.db2.gz MCYDIILGWINSTD-RBUKOAKNSA-N 1 0 387.405 3.800 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc(C#N)c([N+](=O)[O-])c3)cc2F)CC1 ZINC000811803329 889987332 /nfs/dbraw/zinc/98/73/32/889987332.db2.gz REJJXIRRJVVRLG-UHFFFAOYSA-N 1 0 383.427 3.880 20 30 GHEDRO COC(=O)[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000811805184 889990337 /nfs/dbraw/zinc/99/03/37/889990337.db2.gz HOZBDGBNESYVRS-GGAORHGYSA-N 1 0 391.515 3.664 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNc1ccc2nnc(-c3ccsc3)n2n1)C(C)C ZINC001184775619 913425629 /nfs/dbraw/zinc/42/56/29/913425629.db2.gz QHNCSLDARLGUFO-QGZVFWFLSA-N 1 0 382.537 3.963 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000533309317 890223309 /nfs/dbraw/zinc/22/33/09/890223309.db2.gz HGLDZZOSQZAHNW-OAHLLOKOSA-N 1 0 382.357 3.537 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000533458414 890586473 /nfs/dbraw/zinc/58/64/73/890586473.db2.gz BZBCPSKQIJYDMW-HJNYFJLDSA-N 1 0 382.552 3.836 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1scnc1Cl ZINC000871642416 890956060 /nfs/dbraw/zinc/95/60/60/890956060.db2.gz FXPLTCBHACXETC-UHFFFAOYSA-N 1 0 383.974 3.895 20 30 GHEDRO COc1ccc([C@H](O)C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)cc1 ZINC000812855173 891003252 /nfs/dbraw/zinc/00/32/52/891003252.db2.gz HJBBCPIVMZSELL-QHCPKHFHSA-N 1 0 380.488 3.781 20 30 GHEDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)ccc1OCc1cccc(C#N)c1 ZINC000533671208 891051499 /nfs/dbraw/zinc/05/14/99/891051499.db2.gz VFEBKCIHNKXTNE-LEWJYISDSA-N 1 0 380.488 3.739 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000812893036 891107756 /nfs/dbraw/zinc/10/77/56/891107756.db2.gz XNUUANKPWCNNDP-WTNAPCKOSA-N 1 0 379.479 3.852 20 30 GHEDRO CSc1nnc(SC)n1[NH+]=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000872417693 891257500 /nfs/dbraw/zinc/25/75/00/891257500.db2.gz KPUPPYNHELBFCM-ZDUSSCGKSA-N 1 0 379.511 3.643 20 30 GHEDRO C=CCn1c(-c2cccnc2)nn(CN2CCC(C)([NH+]3CCCC3)CC2)c1=S ZINC000872646074 891295071 /nfs/dbraw/zinc/29/50/71/891295071.db2.gz XUOZYLIOASAPCJ-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000813193525 891356152 /nfs/dbraw/zinc/35/61/52/891356152.db2.gz SFSYPESTYNQKMA-JOCHJYFZSA-N 1 0 376.504 3.642 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000497387741 891446049 /nfs/dbraw/zinc/44/60/49/891446049.db2.gz JHGPPHIZTLSAAP-UHFFFAOYSA-N 1 0 381.520 3.857 20 30 GHEDRO CC(C)(C)c1nc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)co1 ZINC000873545645 891678294 /nfs/dbraw/zinc/67/82/94/891678294.db2.gz ZAKJFADYSHFBHR-UHFFFAOYSA-N 1 0 381.476 3.935 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c(OC)c1 ZINC000127719101 891705007 /nfs/dbraw/zinc/70/50/07/891705007.db2.gz VANCPCCIBMCIOP-IRXDYDNUSA-N 1 0 381.476 3.690 20 30 GHEDRO CC[N@H+](CC(=O)N(C)CCOc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599681 891978645 /nfs/dbraw/zinc/97/86/45/891978645.db2.gz JKYIUNMIGYXETQ-KRWDZBQOSA-N 1 0 383.467 3.618 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813792853 891984563 /nfs/dbraw/zinc/98/45/63/891984563.db2.gz XOAGHZNVBLXZIB-SGTLLEGYSA-N 1 0 393.256 3.702 20 30 GHEDRO N#Cc1cc2[nH]ccc2c(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c1 ZINC001170718581 892135255 /nfs/dbraw/zinc/13/52/55/892135255.db2.gz JQNWJSKMFSTMNN-MXVIHJGJSA-N 1 0 377.536 3.790 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814175925 892331121 /nfs/dbraw/zinc/33/11/21/892331121.db2.gz MUUGSIHJFOHUGQ-IMFGXOCKSA-N 1 0 385.508 3.809 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 ZINC000154504763 892457501 /nfs/dbraw/zinc/45/75/01/892457501.db2.gz WABHKUJWSCLCNM-ZDUSSCGKSA-O 1 0 392.495 3.645 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000774835263 913668573 /nfs/dbraw/zinc/66/85/73/913668573.db2.gz LHLNHSDZVLKZMS-KXBFYZLASA-N 1 0 386.455 3.973 20 30 GHEDRO C#CCN(C(=O)[C@H](CC)Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001134262457 892539370 /nfs/dbraw/zinc/53/93/70/892539370.db2.gz BXFLYZJAPXPPEM-MRXNPFEDSA-N 1 0 391.353 3.574 20 30 GHEDRO N#CCc1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000455754983 893215498 /nfs/dbraw/zinc/21/54/98/893215498.db2.gz REHQSFMZWCABKG-UHFFFAOYSA-N 1 0 382.895 3.976 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)[NH+]2CCCC2)c1 ZINC000455762628 893228404 /nfs/dbraw/zinc/22/84/04/893228404.db2.gz ZTTFQWCSZZYFSW-LJQANCHMSA-N 1 0 399.882 3.574 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000876664249 893280537 /nfs/dbraw/zinc/28/05/37/893280537.db2.gz QQCOEMRWMIWUBE-NHYWBVRUSA-N 1 0 379.913 3.774 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000876690291 893290463 /nfs/dbraw/zinc/29/04/63/893290463.db2.gz UGUDAIFXJAZNJJ-IEBWSBKVSA-N 1 0 392.858 3.518 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1Cl ZINC000129378485 893299746 /nfs/dbraw/zinc/29/97/46/893299746.db2.gz HPCZJPBEFIGUQA-OXJNMPFZSA-N 1 0 399.926 3.675 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CCC(CCC#N)CC3)cc2)C[C@H](C)O1 ZINC000563034353 893303129 /nfs/dbraw/zinc/30/31/29/893303129.db2.gz FYJSZFJTDTZRIF-KDURUIRLSA-N 1 0 398.551 3.521 20 30 GHEDRO COc1cccc(-c2nc(CO[NH+]=C(N)c3ccc(N(C)C)cc3)cs2)c1 ZINC000918185284 893324149 /nfs/dbraw/zinc/32/41/49/893324149.db2.gz JESMUSGPSFSMEX-UHFFFAOYSA-N 1 0 382.489 3.722 20 30 GHEDRO C[C@@H]1CC[C@H]([N@H+](CCO)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000429767461 893337308 /nfs/dbraw/zinc/33/73/08/893337308.db2.gz DXPIXKVQSXEONY-CVEARBPZSA-N 1 0 389.565 3.700 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000778217258 893371234 /nfs/dbraw/zinc/37/12/34/893371234.db2.gz WIEINGPYRGCLNT-OAHLLOKOSA-N 1 0 394.313 3.810 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000876902007 893380203 /nfs/dbraw/zinc/38/02/03/893380203.db2.gz JWYXKEBOVKCXIL-WBVHZDCISA-N 1 0 394.947 3.758 20 30 GHEDRO CCc1nc(CN2CCC(C[NH2+]Cc3cc(C#N)cnc3Cl)CC2)cs1 ZINC000877039996 893452233 /nfs/dbraw/zinc/45/22/33/893452233.db2.gz MCUJDWZLLGHNKZ-UHFFFAOYSA-N 1 0 389.956 3.627 20 30 GHEDRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(OCCCC#N)c1 ZINC000536660042 893465537 /nfs/dbraw/zinc/46/55/37/893465537.db2.gz UNUKMAWEBXSBHF-UHFFFAOYSA-N 1 0 392.547 3.623 20 30 GHEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000877118781 893494531 /nfs/dbraw/zinc/49/45/31/893494531.db2.gz MTWZHQASDYQVDA-ACQYKPJFSA-N 1 0 379.441 3.956 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1 ZINC001137116737 893521212 /nfs/dbraw/zinc/52/12/12/893521212.db2.gz OYZUYZFLUSQBOW-JOCHJYFZSA-N 1 0 395.528 3.779 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)nc1 ZINC000934346114 893560370 /nfs/dbraw/zinc/56/03/70/893560370.db2.gz QTHKPZTUUQXBEA-SFHVURJKSA-N 1 0 396.516 3.678 20 30 GHEDRO N#Cc1ccc(OC2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000459483946 893598423 /nfs/dbraw/zinc/59/84/23/893598423.db2.gz MYPPTGNQPWMIIK-HXUWFJFHSA-N 1 0 379.479 3.815 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000556064480 893622302 /nfs/dbraw/zinc/62/23/02/893622302.db2.gz CLERBZOOJROOAH-UHFFFAOYSA-N 1 0 397.544 3.846 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000154735003 893750978 /nfs/dbraw/zinc/75/09/78/893750978.db2.gz DUUXASWXCXFQCN-UHFFFAOYSA-N 1 0 382.479 3.919 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](c1ccncc1)C1CC1)CCCC2 ZINC000934689528 893815909 /nfs/dbraw/zinc/81/59/09/893815909.db2.gz OLODEENBNCUFEE-FQEVSTJZSA-N 1 0 380.517 3.963 20 30 GHEDRO Cc1nsc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000459570849 893838620 /nfs/dbraw/zinc/83/86/20/893838620.db2.gz CABWHTXGSDHHLF-RHSMWYFYSA-N 1 0 383.521 3.840 20 30 GHEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000288651096 913829487 /nfs/dbraw/zinc/82/94/87/913829487.db2.gz AFQJMJWXQITCFE-UHFFFAOYSA-N 1 0 395.507 3.535 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1)CC(F)(F)F ZINC000878163047 894062096 /nfs/dbraw/zinc/06/20/96/894062096.db2.gz SYVBXMMPDNHIMU-AZUAARDMSA-N 1 0 395.469 3.633 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+](CCCO)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000878168772 894067361 /nfs/dbraw/zinc/06/73/61/894067361.db2.gz GMWNOEPAILUDLY-BJKOFHAPSA-N 1 0 376.500 3.799 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459733625 894125344 /nfs/dbraw/zinc/12/53/44/894125344.db2.gz QSAXJHBKEMXTOJ-LBPRGKRZSA-N 1 0 379.526 3.788 20 30 GHEDRO N#CCC[C@@H](C#N)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459751734 894146007 /nfs/dbraw/zinc/14/60/07/894146007.db2.gz KNXKMKUPWQWTKQ-AJSBUHFISA-N 1 0 376.479 3.827 20 30 GHEDRO CCC(CC)[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccs1 ZINC000537075936 894297050 /nfs/dbraw/zinc/29/70/50/894297050.db2.gz KSTXDVZHJLIQPM-RXVVDRJESA-N 1 0 390.597 3.507 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@H](NCc1ccc(C2(C#N)CC2)cc1)C(F)F ZINC000826047888 894362387 /nfs/dbraw/zinc/36/23/87/894362387.db2.gz CSRXSKYSYXRTEH-INIZCTEOSA-N 1 0 379.451 3.880 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(CCC)cc1 ZINC000022795708 894406479 /nfs/dbraw/zinc/40/64/79/894406479.db2.gz SNXBVRSEKXQVQV-UHFFFAOYSA-O 1 0 398.508 3.939 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000537159278 894443575 /nfs/dbraw/zinc/44/35/75/894443575.db2.gz LEVPIGUXIKFXML-XMMPIXPASA-N 1 0 391.515 3.775 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CCOCC1 ZINC000537220056 894584872 /nfs/dbraw/zinc/58/48/72/894584872.db2.gz MRBOYUQSFGDDEC-WBVHZDCISA-N 1 0 375.538 3.814 20 30 GHEDRO COc1ccc(C2CC[NH+](CC[C@](C#N)(C(C)=O)c3ccccc3)CC2)nc1 ZINC000878798998 894627042 /nfs/dbraw/zinc/62/70/42/894627042.db2.gz BKSLZFYHZPYQTO-QHCPKHFHSA-N 1 0 377.488 3.710 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1 ZINC000878814781 894637821 /nfs/dbraw/zinc/63/78/21/894637821.db2.gz UHRNRNLVQDPPKW-HCLVMJGWSA-N 1 0 399.535 3.805 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC2)nc1 ZINC000879027046 894793522 /nfs/dbraw/zinc/79/35/22/894793522.db2.gz QRCFRDVESNHQEA-LJQANCHMSA-N 1 0 375.394 3.885 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816455683 894820040 /nfs/dbraw/zinc/82/00/40/894820040.db2.gz UXFOKFJDKPEGIG-NPPFBWRTSA-N 1 0 378.472 3.779 20 30 GHEDRO C[C@@H]1[C@@H](OC(=O)Cc2ccc(OCC#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000816470165 894832205 /nfs/dbraw/zinc/83/22/05/894832205.db2.gz JLHUTPXYEYXVIG-GCJKJVERSA-N 1 0 378.472 3.728 20 30 GHEDRO CN(C)C(=O)OC1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000816654975 894999157 /nfs/dbraw/zinc/99/91/57/894999157.db2.gz KINPRRINSSBISB-UHFFFAOYSA-N 1 0 393.487 3.800 20 30 GHEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000564473079 895019507 /nfs/dbraw/zinc/01/95/07/895019507.db2.gz RULWDNQXIWPBAR-UHFFFAOYSA-N 1 0 383.414 3.527 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)Nc3ccc(C#N)c(Br)c3)CC2)CC1 ZINC000879542330 895120856 /nfs/dbraw/zinc/12/08/56/895120856.db2.gz XASMSTBEDMACOU-UHFFFAOYSA-N 1 0 391.313 3.660 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000879548397 895126342 /nfs/dbraw/zinc/12/63/42/895126342.db2.gz CWHSVANDTLAVIY-LJQANCHMSA-N 1 0 376.928 3.666 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N2CCC(CCC#N)CC2)[NH+]2CCCCC2)cc1 ZINC000564890054 895302976 /nfs/dbraw/zinc/30/29/76/895302976.db2.gz IDMPUSKYBVUGTD-JOCHJYFZSA-N 1 0 398.551 3.948 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000565168066 895435637 /nfs/dbraw/zinc/43/56/37/895435637.db2.gz BEKXGPXVTUJOLW-UHFFFAOYSA-N 1 0 394.475 3.710 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H]1C(F)(F)F ZINC000880024443 895458525 /nfs/dbraw/zinc/45/85/25/895458525.db2.gz JIFRRLXSZKDEDP-UONOGXRCSA-N 1 0 377.451 3.951 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1C(F)(F)F ZINC000880025241 895459153 /nfs/dbraw/zinc/45/91/53/895459153.db2.gz USBCBCDVHUWHAF-DLBZAZTESA-N 1 0 397.441 3.888 20 30 GHEDRO Cc1sc(NC(=O)CN[C@@H](C)c2ccc(C(F)(F)F)nc2)c(C#N)c1C ZINC000880103703 895515718 /nfs/dbraw/zinc/51/57/18/895515718.db2.gz YANAEAPCXULOLO-JTQLQIEISA-N 1 0 382.411 3.940 20 30 GHEDRO Cc1nccnc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000880106542 895517549 /nfs/dbraw/zinc/51/75/49/895517549.db2.gz LTHMKGMXLCYSKN-CHWSQXEVSA-N 1 0 383.521 3.522 20 30 GHEDRO CCOC(=O)c1csc(CC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)n1 ZINC000880263135 895599637 /nfs/dbraw/zinc/59/96/37/895599637.db2.gz HIJAMWIYPMQSAE-UHFFFAOYSA-N 1 0 399.516 3.677 20 30 GHEDRO N#CC(CC[N@H+]1C[C@H](O)CC2(CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000880583570 895756993 /nfs/dbraw/zinc/75/69/93/895756993.db2.gz ZHXDOBHAADDMFN-HSZRJFAPSA-N 1 0 390.527 3.750 20 30 GHEDRO N#CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCCCC1 ZINC000565617344 895762871 /nfs/dbraw/zinc/76/28/71/895762871.db2.gz SIMNPOSUEUBHBP-NRFANRHFSA-N 1 0 395.547 3.505 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000565946998 896002633 /nfs/dbraw/zinc/00/26/33/896002633.db2.gz HGVRQBGRNPOSAD-PGRDOPGGSA-N 1 0 376.504 3.925 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000880928964 896007647 /nfs/dbraw/zinc/00/76/47/896007647.db2.gz ZLEKBDYLXXTUQS-WBVHZDCISA-N 1 0 382.430 3.535 20 30 GHEDRO C=CC[N@H+](Cc1cccs1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000818165481 896049763 /nfs/dbraw/zinc/04/97/63/896049763.db2.gz RKOPDRPWZAKAKH-FQEVSTJZSA-N 1 0 380.554 3.888 20 30 GHEDRO C=CCn1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)nn1 ZINC000818224513 896089341 /nfs/dbraw/zinc/08/93/41/896089341.db2.gz LQNCNOGBKZXXAE-ICSRJNTNSA-N 1 0 397.523 3.695 20 30 GHEDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(OCc3ccccc3C#N)c1)C[C@@H](C)O2 ZINC000566080753 896095206 /nfs/dbraw/zinc/09/52/06/896095206.db2.gz IVCDPEXGRIPLMI-IECBHUPTSA-N 1 0 392.499 3.906 20 30 GHEDRO N#CCCC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000566147842 896143214 /nfs/dbraw/zinc/14/32/14/896143214.db2.gz FTGTXWMFHNXFFU-FRIKZZABSA-N 1 0 380.536 3.907 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(CC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000881150859 896201561 /nfs/dbraw/zinc/20/15/61/896201561.db2.gz IDVKPNJPYXSADU-YLJYHZDGSA-N 1 0 377.492 3.664 20 30 GHEDRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000566344098 896249119 /nfs/dbraw/zinc/24/91/19/896249119.db2.gz KIWFNYAUKRWLDE-NRFANRHFSA-N 1 0 386.455 3.677 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000818941034 896284537 /nfs/dbraw/zinc/28/45/37/896284537.db2.gz BNAXSGNXYAMVTA-GOSISDBHSA-N 1 0 391.334 3.877 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000818978880 896297709 /nfs/dbraw/zinc/29/77/09/896297709.db2.gz AWYHABKYPHYOAS-QFIPXVFZSA-N 1 0 377.488 3.900 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819022543 896355000 /nfs/dbraw/zinc/35/50/00/896355000.db2.gz QTBNFFUIXWBZIH-KRWDZBQOSA-N 1 0 387.749 3.550 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000819182857 896452366 /nfs/dbraw/zinc/45/23/66/896452366.db2.gz IVWJHSGXKQHOOL-DENIHFKCSA-N 1 0 387.524 3.773 20 30 GHEDRO CN1CC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000819195417 896467466 /nfs/dbraw/zinc/46/74/66/896467466.db2.gz CKUDVRDMHRWJGR-JRGCBEDISA-N 1 0 387.886 3.667 20 30 GHEDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000819232835 896522675 /nfs/dbraw/zinc/52/26/75/896522675.db2.gz PYXWOWCMSCMHIT-RBUKOAKNSA-N 1 0 377.410 3.503 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)s1 ZINC000819331903 896575067 /nfs/dbraw/zinc/57/50/67/896575067.db2.gz FMXJSSPZFKELIS-CQSZACIVSA-N 1 0 388.002 3.639 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000882120602 896668825 /nfs/dbraw/zinc/66/88/25/896668825.db2.gz YGDBRGFNCQWWSA-FXAWDEMLSA-N 1 0 375.476 3.594 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc([C@@H]2CCCOC2)nc1C)C(C)C ZINC000566929091 896705092 /nfs/dbraw/zinc/70/50/92/896705092.db2.gz LWPOXAAKKCUUIL-QZTJIDSGSA-N 1 0 391.581 3.774 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cccc5cccnc54)C3)CC2=O)c1 ZINC001137175722 896743078 /nfs/dbraw/zinc/74/30/78/896743078.db2.gz GQYLMOCGPHXBEY-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000567020360 896803203 /nfs/dbraw/zinc/80/32/03/896803203.db2.gz OZPUPDFAICCXBD-UHFFFAOYSA-N 1 0 377.286 3.508 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000882501430 896830290 /nfs/dbraw/zinc/83/02/90/896830290.db2.gz DDZCTVDVKAEPHF-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO CC1([NH+]2CCC2)CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000882506848 896833523 /nfs/dbraw/zinc/83/35/23/896833523.db2.gz YUXSOCNGVISFBT-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H]3CCc4ccc(C#N)cc43)CC2)cc1 ZINC000567215502 896976835 /nfs/dbraw/zinc/97/68/35/896976835.db2.gz DHDGLJMJWVXZEG-DEOSSOPVSA-N 1 0 388.515 3.758 20 30 GHEDRO CCOC(=O)N(C)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000130830418 897223974 /nfs/dbraw/zinc/22/39/74/897223974.db2.gz WFCLJKNWNLIYSS-UHFFFAOYSA-N 1 0 395.507 3.516 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000131062486 897308649 /nfs/dbraw/zinc/30/86/49/897308649.db2.gz WNAIPDJUMPANRW-NRFANRHFSA-N 1 0 375.451 3.929 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccc(F)cc3)C3CCOCC3)CC2)nc1 ZINC000883185187 897348207 /nfs/dbraw/zinc/34/82/07/897348207.db2.gz QLAVQCQOVDKHRH-HSZRJFAPSA-N 1 0 394.494 3.819 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@H]([C@H]2CCOC2)C1 ZINC000883221021 897380820 /nfs/dbraw/zinc/38/08/20/897380820.db2.gz SPXQVZNRRXZJFF-PWKSQPCKSA-N 1 0 391.556 3.568 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000567755663 897381215 /nfs/dbraw/zinc/38/12/15/897381215.db2.gz IAFJJPCGDQATKG-XMSQKQJNSA-N 1 0 376.504 3.605 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000883220538 897381099 /nfs/dbraw/zinc/38/10/99/897381099.db2.gz LGHLWJYCRRNHMZ-DLBZAZTESA-N 1 0 391.455 3.712 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 ZINC000567875218 897466009 /nfs/dbraw/zinc/46/60/09/897466009.db2.gz XIBLZXALTLMYEX-UHFFFAOYSA-N 1 0 384.505 3.556 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001136376012 897520390 /nfs/dbraw/zinc/52/03/90/897520390.db2.gz MBVCDOGGBDJMDQ-HSZRJFAPSA-N 1 0 375.516 3.787 20 30 GHEDRO NC(=NOCc1ccc2ccccc2c1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000131825604 897582744 /nfs/dbraw/zinc/58/27/44/897582744.db2.gz PSTDWWGDGORMJG-UHFFFAOYSA-N 1 0 389.499 3.634 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC001170958087 897706009 /nfs/dbraw/zinc/70/60/09/897706009.db2.gz IYOHXZIOBRLJGC-HOTGVXAUSA-N 1 0 380.554 3.561 20 30 GHEDRO C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000883709320 897843783 /nfs/dbraw/zinc/84/37/83/897843783.db2.gz DPIPWOFMAVNGCO-NQIIRXRSSA-N 1 0 377.492 3.737 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccccc1 ZINC000568475237 897869157 /nfs/dbraw/zinc/86/91/57/897869157.db2.gz WOYMKJFOXRFIJY-NQIIRXRSSA-N 1 0 376.504 3.883 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc1 ZINC000568621583 897989245 /nfs/dbraw/zinc/98/92/45/897989245.db2.gz VUSTUUVWRDOVPQ-MRXNPFEDSA-N 1 0 396.821 3.537 20 30 GHEDRO CO/N=C/c1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1 ZINC000102917896 898048379 /nfs/dbraw/zinc/04/83/79/898048379.db2.gz RGZSVPUNAYYHON-BUVRLJJBSA-N 1 0 398.482 3.589 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103236256 898075675 /nfs/dbraw/zinc/07/56/75/898075675.db2.gz VBXQUOIPXWQORR-IBGZPJMESA-N 1 0 398.551 3.722 20 30 GHEDRO Cc1nc(NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)ccc1C#N ZINC001185968428 914233865 /nfs/dbraw/zinc/23/38/65/914233865.db2.gz GYOPASPWGAHLHD-QZTJIDSGSA-N 1 0 378.520 3.883 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)CC1 ZINC000106322040 898265468 /nfs/dbraw/zinc/26/54/68/898265468.db2.gz KQLUHWOCDPSOPO-UHFFFAOYSA-N 1 0 386.540 3.767 20 30 GHEDRO Cc1cc(C)c(C#N)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000569142186 898364594 /nfs/dbraw/zinc/36/45/94/898364594.db2.gz FMOUVIRFPKNRJQ-OAQYLSRUSA-N 1 0 390.531 3.911 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000822451993 898381074 /nfs/dbraw/zinc/38/10/74/898381074.db2.gz UEJDDDHBCHVLTN-AZUAARDMSA-N 1 0 392.503 3.758 20 30 GHEDRO N#Cc1ccc(C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)nc1 ZINC000569351576 898568616 /nfs/dbraw/zinc/56/86/16/898568616.db2.gz IDBIEUHRNYREDV-UHFFFAOYSA-N 1 0 386.293 3.897 20 30 GHEDRO CCOc1ccc(-c2nc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)sc2C)cc1 ZINC000884048944 898654104 /nfs/dbraw/zinc/65/41/04/898654104.db2.gz AMWGLNYHSMOQQY-ZGOJQLDESA-N 1 0 396.516 3.595 20 30 GHEDRO C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000884087373 898832983 /nfs/dbraw/zinc/83/29/83/898832983.db2.gz ATGGLFXCGFKJFY-BOKRZWGJSA-N 1 0 393.462 3.935 20 30 GHEDRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884096783 898860467 /nfs/dbraw/zinc/86/04/67/898860467.db2.gz HTIWLXYLQAEXKR-XAUUPUKJSA-N 1 0 380.319 3.870 20 30 GHEDRO CCN(C(=O)c1ccc(C#N)c(OC)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000823125803 898862614 /nfs/dbraw/zinc/86/26/14/898862614.db2.gz PQXPCHVAHCBZJX-LAUBAEHRSA-N 1 0 377.488 3.864 20 30 GHEDRO CCC[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884120465 898952923 /nfs/dbraw/zinc/95/29/23/898952923.db2.gz MJYLIBMVMYXEKC-OGFXQLCQSA-N 1 0 379.426 3.802 20 30 GHEDRO Cc1cccc(Oc2ccccc2CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1 ZINC000884129149 899001441 /nfs/dbraw/zinc/00/14/41/899001441.db2.gz YTBRGVIXVZGMQQ-KPRXVCGWSA-N 1 0 375.472 3.543 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000114472674 899088210 /nfs/dbraw/zinc/08/82/10/899088210.db2.gz VMHGSULSDNYFMT-ROUUACIJSA-N 1 0 381.524 3.557 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000570135841 899149600 /nfs/dbraw/zinc/14/96/00/899149600.db2.gz ZYAUCVVHSUEPLA-QHCPKHFHSA-N 1 0 393.531 3.929 20 30 GHEDRO C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[N@@H+](C2CC2)C1 ZINC000570161753 899166660 /nfs/dbraw/zinc/16/66/60/899166660.db2.gz DSKQOOXBFNTCSD-GOSISDBHSA-N 1 0 389.499 3.694 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC001136759789 899178728 /nfs/dbraw/zinc/17/87/28/899178728.db2.gz NCIWDQRTLPJXTL-GHTZIAJQSA-N 1 0 385.552 3.978 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 ZINC001136759791 899178895 /nfs/dbraw/zinc/17/88/95/899178895.db2.gz NCIWDQRTLPJXTL-RXVVDRJESA-N 1 0 385.552 3.978 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)C2 ZINC000884173561 899187206 /nfs/dbraw/zinc/18/72/06/899187206.db2.gz ZENNFVQXFMKDHO-GJGORFQUSA-N 1 0 383.398 3.835 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000570564314 899393841 /nfs/dbraw/zinc/39/38/41/899393841.db2.gz LZPMVIBXHPGARW-SFHVURJKSA-N 1 0 380.960 3.752 20 30 GHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)NCC2(C#N)CC2)cc1)C[C@H]1CCCCO1 ZINC000570579012 899405121 /nfs/dbraw/zinc/40/51/21/899405121.db2.gz UJVPWZBCCFNQKX-HXUWFJFHSA-N 1 0 384.524 3.891 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1Cl ZINC000570590050 899413506 /nfs/dbraw/zinc/41/35/06/899413506.db2.gz GHAGENLVHKJLNO-SFHLNBCPSA-N 1 0 395.890 3.655 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCc3nc(CC)sc32)CC1 ZINC000119568570 899639308 /nfs/dbraw/zinc/63/93/08/899639308.db2.gz GWNOSSABGSIYFA-QGZVFWFLSA-N 1 0 376.570 3.765 20 30 GHEDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000570879376 899660598 /nfs/dbraw/zinc/66/05/98/899660598.db2.gz OWXJGLLIUUNELD-UHFFFAOYSA-N 1 0 391.500 3.720 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2cccc(C)c2)cc1 ZINC000134182280 899720970 /nfs/dbraw/zinc/72/09/70/899720970.db2.gz UWHPCKRJEVTFFH-FQEVSTJZSA-O 1 0 397.564 3.942 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC000884317956 899778682 /nfs/dbraw/zinc/77/86/82/899778682.db2.gz IBAOZTLNNOYSFS-KGXSXCIVSA-N 1 0 391.437 3.551 20 30 GHEDRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(OC)c1 ZINC000824733748 899793083 /nfs/dbraw/zinc/79/30/83/899793083.db2.gz XRPYLZAITXMQNA-JKSUJKDBSA-N 1 0 384.476 3.724 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC001136936838 899813056 /nfs/dbraw/zinc/81/30/56/899813056.db2.gz MCLTYQOTPPFKOM-OAQYLSRUSA-N 1 0 378.463 3.864 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000825226580 900034896 /nfs/dbraw/zinc/03/48/96/900034896.db2.gz KOONYWOCACENIO-MRXNPFEDSA-N 1 0 375.472 3.523 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1)C2 ZINC000884453724 900091043 /nfs/dbraw/zinc/09/10/43/900091043.db2.gz XCRXSJRJNXZSQR-RCDNUKIMSA-N 1 0 377.410 3.588 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1OC ZINC000825336898 900101862 /nfs/dbraw/zinc/10/18/62/900101862.db2.gz AIPCREKYJWPPOM-QGZVFWFLSA-N 1 0 392.293 3.846 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000134791119 900120219 /nfs/dbraw/zinc/12/02/19/900120219.db2.gz BWIZYFSGAGXAGW-YADHBBJMSA-N 1 0 395.478 3.660 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)CCOCC2)c1 ZINC000825392393 900143460 /nfs/dbraw/zinc/14/34/60/900143460.db2.gz GCZHRSNLIQXZRG-UHFFFAOYSA-N 1 0 393.487 3.573 20 30 GHEDRO Cc1nsc(N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1C#N ZINC000884592047 900185931 /nfs/dbraw/zinc/18/59/31/900185931.db2.gz DUWJOAIJDVSXJQ-SFHVURJKSA-N 1 0 382.533 3.949 20 30 GHEDRO Cc1nc(N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)ccc1C#N ZINC000884592322 900186007 /nfs/dbraw/zinc/18/60/07/900186007.db2.gz LROPCCIEIMOWSN-OAQYLSRUSA-N 1 0 376.504 3.887 20 30 GHEDRO Cc1ccc(C#N)c(N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000884592569 900187963 /nfs/dbraw/zinc/18/79/63/900187963.db2.gz QVFFCVXZRRBBDT-OAQYLSRUSA-N 1 0 376.504 3.887 20 30 GHEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000572684783 900247076 /nfs/dbraw/zinc/24/70/76/900247076.db2.gz RLKZOFRPYVVMGC-QGZVFWFLSA-N 1 0 391.441 3.823 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)c(OCC)c(Cl)c3)C2)C1=O ZINC001143739122 900455526 /nfs/dbraw/zinc/45/55/26/900455526.db2.gz JGBXRFWFYHXISC-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1 ZINC000573360117 900476293 /nfs/dbraw/zinc/47/62/93/900476293.db2.gz FODXFLBMCULTLM-KRWDZBQOSA-N 1 0 386.455 3.713 20 30 GHEDRO CC[NH+]1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000157431899 900528287 /nfs/dbraw/zinc/52/82/87/900528287.db2.gz KNKGYAMTKVWHRB-UHFFFAOYSA-N 1 0 399.583 3.836 20 30 GHEDRO C#Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(Cl)c1 ZINC000885670096 900583970 /nfs/dbraw/zinc/58/39/70/900583970.db2.gz SFYBMHSYTGPLSI-ROUUACIJSA-N 1 0 384.911 3.507 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCCOC2)O1 ZINC000573749004 900611918 /nfs/dbraw/zinc/61/19/18/900611918.db2.gz ZOCHOFQLHSSDIG-CYFREDJKSA-N 1 0 392.499 3.907 20 30 GHEDRO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000844308149 900696001 /nfs/dbraw/zinc/69/60/01/900696001.db2.gz AMZMSRGYOCRDHM-WBVHZDCISA-N 1 0 388.468 3.592 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289996449 914473272 /nfs/dbraw/zinc/47/32/72/914473272.db2.gz ZLPMAYXRQCKDIE-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO [NH2+]=C(NCc1cccc(COCC(F)(F)F)c1)N[C@@H]1CCOc2ccccc21 ZINC000136898536 900768777 /nfs/dbraw/zinc/76/87/77/900768777.db2.gz BUMAZMDPQHSGPS-QGZVFWFLSA-N 1 0 393.409 3.694 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000574145823 900794953 /nfs/dbraw/zinc/79/49/53/900794953.db2.gz KVBLZIWZYJLBLS-UHFFFAOYSA-N 1 0 377.448 3.517 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886218621 900892265 /nfs/dbraw/zinc/89/22/65/900892265.db2.gz ZIXXFZYFQMRISD-FHWLQOOXSA-N 1 0 391.556 3.543 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc1OC ZINC000886302237 900925977 /nfs/dbraw/zinc/92/59/77/900925977.db2.gz IJAULBBESZXXIH-IBGZPJMESA-N 1 0 375.509 3.716 20 30 GHEDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)O2 ZINC000886341349 900941855 /nfs/dbraw/zinc/94/18/55/900941855.db2.gz UHXUQJDHBUMZHV-SGAADRECSA-N 1 0 394.519 3.526 20 30 GHEDRO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886410725 900986831 /nfs/dbraw/zinc/98/68/31/900986831.db2.gz AHMDYADNYHBPGS-REWPJTCUSA-N 1 0 399.535 3.758 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066537028 901007298 /nfs/dbraw/zinc/00/72/98/901007298.db2.gz PFXUCVRBJJKNLL-QZTJIDSGSA-N 1 0 386.565 3.580 20 30 GHEDRO COc1cccc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000844596748 901063062 /nfs/dbraw/zinc/06/30/62/901063062.db2.gz NGPDWUBQQOIQDG-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000068707465 901094245 /nfs/dbraw/zinc/09/42/45/901094245.db2.gz VFOCDVIWQONTBW-QGZVFWFLSA-N 1 0 378.476 3.844 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000575089029 901116611 /nfs/dbraw/zinc/11/66/11/901116611.db2.gz AAHCJKJKZZGMHR-KRWDZBQOSA-N 1 0 390.535 3.923 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)nc1 ZINC001144157563 901168106 /nfs/dbraw/zinc/16/81/06/901168106.db2.gz OHRGPRQVFYDBCM-RDGATRHJSA-N 1 0 398.510 3.998 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000844713304 901192198 /nfs/dbraw/zinc/19/21/98/901192198.db2.gz SBCOUTXQPOHMMC-UHFFFAOYSA-N 1 0 398.551 3.512 20 30 GHEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1C#N ZINC000886688707 901228101 /nfs/dbraw/zinc/22/81/01/901228101.db2.gz YLEDOYPRWXUUOV-GFCCVEGCSA-N 1 0 378.494 3.674 20 30 GHEDRO CSc1ccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1C#N ZINC000886688426 901228410 /nfs/dbraw/zinc/22/84/10/901228410.db2.gz RBYQQHBHIOMYGK-ZDUSSCGKSA-N 1 0 375.519 3.502 20 30 GHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(C#N)cnc2c(Br)cccc21 ZINC000575855937 901393050 /nfs/dbraw/zinc/39/30/50/901393050.db2.gz BDPUCUJVIPAOSX-UKRRQHHQSA-N 1 0 385.309 3.932 20 30 GHEDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000575894399 901437755 /nfs/dbraw/zinc/43/77/55/901437755.db2.gz GILIBWIPRUQISV-SFHVURJKSA-N 1 0 381.476 3.677 20 30 GHEDRO C#CCC1([NH2+]Cc2ncc(-c3ccccc3Br)o2)CCOCC1 ZINC000887124347 901447915 /nfs/dbraw/zinc/44/79/15/901447915.db2.gz AARVKWCNDKEBEA-UHFFFAOYSA-N 1 0 375.266 3.766 20 30 GHEDRO N#CCOc1ccc(CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)cc1 ZINC000844889003 901468307 /nfs/dbraw/zinc/46/83/07/901468307.db2.gz LJRNJHZVSTZUFB-UHFFFAOYSA-N 1 0 395.528 3.958 20 30 GHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)[C@@H]1c1ccccc1 ZINC000575936814 901496451 /nfs/dbraw/zinc/49/64/51/901496451.db2.gz OVKACRBNUYPVRM-GGAORHGYSA-N 1 0 399.498 3.639 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092455274 901496589 /nfs/dbraw/zinc/49/65/89/901496589.db2.gz IGGHFLKUGBDNBE-IBGZPJMESA-N 1 0 395.507 3.563 20 30 GHEDRO CC(=O)Oc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc1OC(C)=O ZINC001144280978 901584060 /nfs/dbraw/zinc/58/40/60/901584060.db2.gz ZPPRFYXFFDQKKX-UHFFFAOYSA-N 1 0 392.455 3.788 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000122776269 901847088 /nfs/dbraw/zinc/84/70/88/901847088.db2.gz SGNFWRWQEJKFJE-UTKZUKDTSA-N 1 0 377.488 3.692 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001144348648 901854029 /nfs/dbraw/zinc/85/40/29/901854029.db2.gz JZXPCSKSHDHQLD-IBGZPJMESA-N 1 0 397.441 3.556 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C#N)s1 ZINC000576502130 902060348 /nfs/dbraw/zinc/06/03/48/902060348.db2.gz DNRPUYFCFWMBEP-MRXNPFEDSA-N 1 0 382.533 3.994 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001171179778 902101106 /nfs/dbraw/zinc/10/11/06/902101106.db2.gz XMJRGCNOGSOAJE-INIZCTEOSA-N 1 0 375.488 3.818 20 30 GHEDRO COc1ccc(CCN2CCC([NH2+][C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171191886 902250491 /nfs/dbraw/zinc/25/04/91/902250491.db2.gz HBSPOTRRXJYJOT-LJQANCHMSA-N 1 0 377.532 3.795 20 30 GHEDRO C=C(C)CONC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000845598881 902256644 /nfs/dbraw/zinc/25/66/44/902256644.db2.gz BPZURQIEMSKJEN-DOTOQJQBSA-N 1 0 385.430 3.895 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)[C@H](C)[NH2+][C@@H](C)Cc3cccc(C#N)c3)ccc12 ZINC001171193364 902265237 /nfs/dbraw/zinc/26/52/37/902265237.db2.gz WTZUNVQIOJCDQX-HOTGVXAUSA-N 1 0 389.455 3.521 20 30 GHEDRO COC(=O)[C@@H](C[NH3+])c1cn([C@H](C)Cc2cccc(C#N)c2)c2ccc(OC)cc12 ZINC001171194978 902282552 /nfs/dbraw/zinc/28/25/52/902282552.db2.gz OAAOEYDFMJKMGQ-QRWLVFNGSA-N 1 0 391.471 3.541 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333767095 902317447 /nfs/dbraw/zinc/31/74/47/902317447.db2.gz QMHVRUIAVWYJJM-CYMONXJESA-N 1 0 387.568 3.587 20 30 GHEDRO COc1cccc(-c2noc(NC3CC[NH+](Cc4cccc(C#N)c4)CC3)n2)c1 ZINC000845770303 902378151 /nfs/dbraw/zinc/37/81/51/902378151.db2.gz IHLKXKUZGJCXHZ-UHFFFAOYSA-N 1 0 389.459 3.693 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC001144572479 902405196 /nfs/dbraw/zinc/40/51/96/902405196.db2.gz ZMWDVRAADCRJMU-RPWUZVMVSA-N 1 0 376.500 3.651 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000263738679 902454921 /nfs/dbraw/zinc/45/49/21/902454921.db2.gz ABZVFYUVZVJUGY-GOSISDBHSA-N 1 0 381.476 3.580 20 30 GHEDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000127536430 902503253 /nfs/dbraw/zinc/50/32/53/902503253.db2.gz MLLSKFRFBLXPOP-UHFFFAOYSA-N 1 0 395.463 3.679 20 30 GHEDRO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)Cc2cn(CC3CC3)nc21 ZINC001171211358 902648637 /nfs/dbraw/zinc/64/86/37/902648637.db2.gz CQFQAUPJURSXTG-VGSWGCGISA-N 1 0 378.520 3.732 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccc3c2OCCCO3)c(-c2ccccc2)n1 ZINC000128507211 902677213 /nfs/dbraw/zinc/67/72/13/902677213.db2.gz SWBLXXUGLYRZIX-UHFFFAOYSA-N 1 0 388.471 3.915 20 30 GHEDRO [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1NC(=O)/C=C/C(=O)c1ccccc1 ZINC001144714026 902695544 /nfs/dbraw/zinc/69/55/44/902695544.db2.gz IDOIRLMTCMXMAI-GRIHIRFBSA-N 1 0 394.474 3.529 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1OCCCC#N ZINC000263971748 902728224 /nfs/dbraw/zinc/72/82/24/902728224.db2.gz BOVXPEBLPONQMV-MRXNPFEDSA-N 1 0 393.487 3.747 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000577418806 902756646 /nfs/dbraw/zinc/75/66/46/902756646.db2.gz KEBMBSWIUFEASJ-OAQYLSRUSA-N 1 0 399.579 3.608 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c(OC)c1 ZINC000577422917 902759143 /nfs/dbraw/zinc/75/91/43/902759143.db2.gz USOTZMALSITPKM-RBBKRZOGSA-N 1 0 399.506 3.867 20 30 GHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)COc3ccccc3C#N)s2)cs1 ZINC000600718872 902843063 /nfs/dbraw/zinc/84/30/63/902843063.db2.gz SFEUVTHGXPUBDT-MRXNPFEDSA-N 1 0 399.541 3.624 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001171230558 903045282 /nfs/dbraw/zinc/04/52/82/903045282.db2.gz WHEAFWKJPBJYSY-CQSZACIVSA-N 1 0 395.304 3.999 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846612475 903090612 /nfs/dbraw/zinc/09/06/12/903090612.db2.gz VMFOSXWEYJXTFV-NRFANRHFSA-N 1 0 384.524 3.610 20 30 GHEDRO C=CCOc1ccccc1CN(C(=O)[C@H](N)CC[NH+](C)C)c1ccc(C)c(C)c1 ZINC000846665856 903127563 /nfs/dbraw/zinc/12/75/63/903127563.db2.gz AEGPFKOVZZUBOX-JOCHJYFZSA-N 1 0 395.547 3.680 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000577773325 903171070 /nfs/dbraw/zinc/17/10/70/903171070.db2.gz LFDYDCYVWOOTSR-UHFFFAOYSA-N 1 0 395.551 3.528 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000577894410 903314862 /nfs/dbraw/zinc/31/48/62/903314862.db2.gz GWGSYGKZBHGOTP-GOSISDBHSA-N 1 0 391.490 3.852 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000601148634 903392012 /nfs/dbraw/zinc/39/20/12/903392012.db2.gz FZMIMYFICPCUPG-OAQYLSRUSA-N 1 0 386.448 3.556 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000775040084 914715589 /nfs/dbraw/zinc/71/55/89/914715589.db2.gz PNFDZGMASXEJTF-HKUYNNGSSA-N 1 0 386.540 3.914 20 30 GHEDRO N#Cc1ccc(C2([NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 ZINC000847060852 903437606 /nfs/dbraw/zinc/43/76/06/903437606.db2.gz TZRSJNSTYRVMJY-UHFFFAOYSA-N 1 0 382.395 3.603 20 30 GHEDRO Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc(-c2cccnc2)n1 ZINC001171274564 903468389 /nfs/dbraw/zinc/46/83/89/903468389.db2.gz CXEPXXFMPJKLLK-UHFFFAOYSA-N 1 0 384.487 3.817 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(OC)c1OC ZINC000601267569 903519376 /nfs/dbraw/zinc/51/93/76/903519376.db2.gz MXSIIFUXRVGSMD-LJQANCHMSA-N 1 0 380.492 3.680 20 30 GHEDRO Cc1csc(NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1C#N ZINC000578334417 903743946 /nfs/dbraw/zinc/74/39/46/903743946.db2.gz NOTWTQVZZWFLQC-UHFFFAOYSA-N 1 0 384.505 3.723 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ncc(C#N)cc2C)n1 ZINC000578344856 903749986 /nfs/dbraw/zinc/74/99/86/903749986.db2.gz OFEAVWFNUIYJMO-UHFFFAOYSA-N 1 0 377.448 3.699 20 30 GHEDRO O=C(c1ccc(F)cc1F)C(C(=S)NC(C1CC1)C1CC1)[n+]1ccccc1 ZINC000265293339 903780375 /nfs/dbraw/zinc/78/03/75/903780375.db2.gz BOFOQHMNFTYQKJ-UHFFFAOYSA-O 1 0 387.475 3.969 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000578427373 903834416 /nfs/dbraw/zinc/83/44/16/903834416.db2.gz JUBQKUKPKNELHO-UHFFFAOYSA-N 1 0 378.476 3.695 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2)c1 ZINC000772982958 903858672 /nfs/dbraw/zinc/85/86/72/903858672.db2.gz GIJAZLDUEZRIDN-QFBILLFUSA-N 1 0 381.476 3.883 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000772984521 903863253 /nfs/dbraw/zinc/86/32/53/903863253.db2.gz OEPDDQHXYRZREG-KXBFYZLASA-N 1 0 396.447 3.783 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283033563 903936995 /nfs/dbraw/zinc/93/69/95/903936995.db2.gz UNBVFXLHGAPMLB-UHFFFAOYSA-N 1 0 387.503 3.539 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000151280732 904099302 /nfs/dbraw/zinc/09/93/02/904099302.db2.gz ARYIPNVCVSIUPJ-QGZVFWFLSA-N 1 0 387.911 3.900 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CC1 ZINC001148618453 904141150 /nfs/dbraw/zinc/14/11/50/904141150.db2.gz OHCPXUSHNUTMEV-SFHVURJKSA-N 1 0 376.504 3.703 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000151570982 904158078 /nfs/dbraw/zinc/15/80/78/904158078.db2.gz JHDKEPMHVKOKBF-IBGZPJMESA-N 1 0 378.516 3.758 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000578860665 904188867 /nfs/dbraw/zinc/18/88/67/904188867.db2.gz AVPAKWRIIZDLEK-MQSCRBSSSA-N 1 0 385.479 3.804 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@H](C)CC)cc1 ZINC000151932219 904216093 /nfs/dbraw/zinc/21/60/93/904216093.db2.gz HAEUTVWHNNHRCA-OAHLLOKOSA-O 1 0 387.573 3.938 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000159961183 904423404 /nfs/dbraw/zinc/42/34/04/904423404.db2.gz JIDYDAQVZJDKPO-VQTJNVASSA-N 1 0 384.524 3.527 20 30 GHEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000579345212 904531654 /nfs/dbraw/zinc/53/16/54/904531654.db2.gz SJAQYJGRQOSQFR-JJXUHFIVSA-N 1 0 388.895 3.512 20 30 GHEDRO CCCN(C(=O)c1cc(C)c(C#N)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889489210 904600983 /nfs/dbraw/zinc/60/09/83/904600983.db2.gz ADYBEKMSKAEXHH-UHFFFAOYSA-N 1 0 376.504 3.779 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC001171626466 904889493 /nfs/dbraw/zinc/88/94/93/904889493.db2.gz PSZBUZLJJXCEIF-HNNXBMFYSA-N 1 0 375.463 3.560 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc(C3=NO[C@@H]4C[NH2+]C[C@@H]34)n2)cc1 ZINC001212629849 905076194 /nfs/dbraw/zinc/07/61/94/905076194.db2.gz PCYWLFJCJYNYAV-QZTJIDSGSA-N 1 0 384.480 3.798 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc(C3=NO[C@H]4C[NH2+]C[C@H]34)n2)cc1 ZINC001212629850 905076234 /nfs/dbraw/zinc/07/62/34/905076234.db2.gz PCYWLFJCJYNYAV-ROUUACIJSA-N 1 0 384.480 3.798 20 30 GHEDRO N#Cc1ccc(-c2nnc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)o2)cc1 ZINC000173644187 905085669 /nfs/dbraw/zinc/08/56/69/905085669.db2.gz LWXDTUABVRXVTD-LJQANCHMSA-N 1 0 379.508 3.696 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](C1CCC(C(=O)OC(C)(C)C)CC1)CC2 ZINC001171927585 905183550 /nfs/dbraw/zinc/18/35/50/905183550.db2.gz QYNCWSSQLGPVNU-UHFFFAOYSA-N 1 0 376.541 3.530 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CCC(C)(C(=O)OCC)CC3)C2)C1 ZINC001171948750 905199222 /nfs/dbraw/zinc/19/92/22/905199222.db2.gz SRRCBLJXACXOAF-UDJZJCJKSA-N 1 0 392.540 3.609 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000174533951 905290976 /nfs/dbraw/zinc/29/09/76/905290976.db2.gz OSNPAARADYTPKS-HXUWFJFHSA-N 1 0 377.488 3.551 20 30 GHEDRO COC(=O)c1ccccc1CN1CCC([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300710 905454820 /nfs/dbraw/zinc/45/48/20/905454820.db2.gz YBLJZIQOHSRMRG-GOSISDBHSA-N 1 0 391.515 3.530 20 30 GHEDRO Cc1cccc(N([C@H](C)Cc2ccc(C#N)cc2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001172303417 905456886 /nfs/dbraw/zinc/45/68/86/905456886.db2.gz CVKOYUPNFFABCW-VEXUSMLFSA-N 1 0 375.516 3.825 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001172306309 905461366 /nfs/dbraw/zinc/46/13/66/905461366.db2.gz WHSDKQYJFFCGQL-LJQANCHMSA-N 1 0 379.548 3.994 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001172307513 905463185 /nfs/dbraw/zinc/46/31/85/905463185.db2.gz HPXQRFMFRXDWAD-FJTGNWTPSA-N 1 0 377.488 3.585 20 30 GHEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1 ZINC001172354331 905523901 /nfs/dbraw/zinc/52/39/01/905523901.db2.gz GOYOVXUJRJTEGO-UXHICEINSA-N 1 0 385.556 3.711 20 30 GHEDRO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+]3CCC4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521830 905581087 /nfs/dbraw/zinc/58/10/87/905581087.db2.gz GVMKVKFAQDCGHO-FMWKFLBASA-N 1 0 396.556 3.592 20 30 GHEDRO C[C@@H](CCCC#N)[N@@H+]1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001172495006 905597482 /nfs/dbraw/zinc/59/74/82/905597482.db2.gz APHWMBPUCASWOK-KRWDZBQOSA-N 1 0 379.508 3.708 20 30 GHEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001172509471 905603762 /nfs/dbraw/zinc/60/37/62/905603762.db2.gz XCOPRFGYCJBXKR-WOJBJXKFSA-N 1 0 382.589 3.902 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)C1=O ZINC001172543906 905648818 /nfs/dbraw/zinc/64/88/18/905648818.db2.gz PJDCMLXYRXHJLS-FGZHOGPDSA-N 1 0 381.564 3.507 20 30 GHEDRO CCCC[C@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001172632617 905694537 /nfs/dbraw/zinc/69/45/37/905694537.db2.gz IQMUWOOFBVCXAP-ROUUACIJSA-N 1 0 378.561 3.522 20 30 GHEDRO C#C[C@@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172685231 905736692 /nfs/dbraw/zinc/73/66/92/905736692.db2.gz VBXONUYHVAMKJV-UYAOXDASSA-N 1 0 382.529 3.507 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4Cc5ccc(Cl)cc5C4)C3)CC2=O)c1 ZINC001172718087 905768907 /nfs/dbraw/zinc/76/89/07/905768907.db2.gz JHZOAMCVYLCVCU-FYYLOGMGSA-N 1 0 391.902 3.808 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCC[C@@H](C(=O)OC)CC3)CC2)C1 ZINC001172781278 905821637 /nfs/dbraw/zinc/82/16/37/905821637.db2.gz IABZVPORZODSFZ-MOPGFXCFSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCN1CCN(C)C2(CC[NH+](C3CCC(Cc4ccccc4)CC3)CC2)C1=O ZINC001172821596 905852403 /nfs/dbraw/zinc/85/24/03/905852403.db2.gz KLPMGOLGTLVUAG-UHFFFAOYSA-N 1 0 395.591 3.583 20 30 GHEDRO N#Cc1cccc(N2CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172921666 905993369 /nfs/dbraw/zinc/99/33/69/905993369.db2.gz QKWRNJURLQGWCC-FQEVSTJZSA-N 1 0 376.460 3.536 20 30 GHEDRO Cc1ccc2c(CC[NH3+])cn([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c2c1 ZINC001172968243 906029372 /nfs/dbraw/zinc/02/93/72/906029372.db2.gz JUNJPAJZTFZYGU-MSOLQXFVSA-N 1 0 382.508 3.915 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@H]1C#N ZINC001172968817 906031913 /nfs/dbraw/zinc/03/19/13/906031913.db2.gz OSIGRWLHLWUKMT-KEYYUXOJSA-N 1 0 375.444 3.531 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C#N ZINC001172970282 906032145 /nfs/dbraw/zinc/03/21/45/906032145.db2.gz FEAHGEYRPGCGKR-HBMCJLEFSA-N 1 0 398.551 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)C[C@H]1C#N ZINC001172976453 906042818 /nfs/dbraw/zinc/04/28/18/906042818.db2.gz PVSKYHVVMAWVBH-GJZGRUSLSA-N 1 0 381.423 3.669 20 30 GHEDRO COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982496 906047077 /nfs/dbraw/zinc/04/70/77/906047077.db2.gz CTTGHLYYIGWXQX-KKUMJFAQSA-N 1 0 377.460 3.777 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C[NH3+])cc2C(F)(F)F)C[C@H]1C#N ZINC001172982019 906049256 /nfs/dbraw/zinc/04/92/56/906049256.db2.gz RDQLWYUOCFXKQZ-KGLIPLIRSA-N 1 0 398.429 3.868 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)cc1 ZINC001172990678 906049294 /nfs/dbraw/zinc/04/92/94/906049294.db2.gz QJKVSQKFYQKGDF-QRVBRYPASA-N 1 0 385.508 3.776 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)C[C@H]1C#N ZINC001172984535 906049894 /nfs/dbraw/zinc/04/98/94/906049894.db2.gz LXWPHVGGVRFQCM-CMKODMSKSA-N 1 0 385.508 3.821 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3ccccc3c3c2C[C@H]([NH3+])CC3)C[C@H]1C#N ZINC001172987386 906051342 /nfs/dbraw/zinc/05/13/42/906051342.db2.gz XZGBRXJNRXIPJS-ZACQAIPSSA-N 1 0 394.519 3.921 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@H](OCc3ccccc3)C2)C[C@H]1C#N ZINC001172991921 906101348 /nfs/dbraw/zinc/10/13/48/906101348.db2.gz NUPKJMMBWDGAJZ-HKBOAZHASA-N 1 0 399.535 3.959 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCOC[C@H]2C2CCCCC2)C[C@H]1C#N ZINC001172993764 906105632 /nfs/dbraw/zinc/10/56/32/906105632.db2.gz PRGKKTHXAXSBNK-QYZOEREBSA-N 1 0 377.529 3.559 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000190615794 906175616 /nfs/dbraw/zinc/17/56/16/906175616.db2.gz PAIHQUCWXOFSGJ-AUUYWEPGSA-N 1 0 398.304 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C[NH2+]C3CCC(CC#N)CC3)O2)CC1 ZINC001173325848 906373750 /nfs/dbraw/zinc/37/37/50/906373750.db2.gz OZLBSXLDTIUIJO-ACBHZAAOSA-N 1 0 391.556 3.997 20 30 GHEDRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](C[NH2+]C2CCC(CC#N)CC2)OC(C)(C)O1 ZINC001173330707 906376132 /nfs/dbraw/zinc/37/61/32/906376132.db2.gz URZDLLGKEHMYIJ-HIEASXQVSA-N 1 0 380.529 3.690 20 30 GHEDRO C=CCOC1CCC(n2cc([C@@H](C[NH3+])C(=O)OC)c3cc(OC)ccc32)CC1 ZINC001173316316 906388757 /nfs/dbraw/zinc/38/87/57/906388757.db2.gz GCLYNIHEALSQLC-LADRWXRNSA-N 1 0 386.492 3.552 20 30 GHEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173374778 906403567 /nfs/dbraw/zinc/40/35/67/906403567.db2.gz QWWWPCJRTSWJMX-PEOGOYOCSA-N 1 0 379.541 3.846 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C#N)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001173379746 906410517 /nfs/dbraw/zinc/41/05/17/906410517.db2.gz QJTAIYLBDCBPMR-KURKYZTESA-N 1 0 392.540 3.690 20 30 GHEDRO CC(C)(C)C#CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173390333 906417516 /nfs/dbraw/zinc/41/75/16/906417516.db2.gz UIIJEAGFZZRPPW-UHFFFAOYSA-N 1 0 377.326 3.693 20 30 GHEDRO O=C(c1ccc(Br)cc1)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001173392036 906419328 /nfs/dbraw/zinc/41/93/28/906419328.db2.gz RVPZPGYSJOYTRF-UHFFFAOYSA-N 1 0 397.316 3.695 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH+]3CCC(c4cccc(O)c4)CC3)CC2)cc1 ZINC001173435818 906451147 /nfs/dbraw/zinc/45/11/47/906451147.db2.gz PPXYJLNPZHSCJP-UHFFFAOYSA-N 1 0 389.499 3.748 20 30 GHEDRO CCCCN(CCCC)CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173423716 906458294 /nfs/dbraw/zinc/45/82/94/906458294.db2.gz LQEXKZAYDJDJIZ-UHFFFAOYSA-N 1 0 384.568 3.655 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]C3(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC001173429267 906466910 /nfs/dbraw/zinc/46/69/10/906466910.db2.gz NKRGPBYYIQIELS-UHFFFAOYSA-N 1 0 377.463 3.667 20 30 GHEDRO Cc1ccc2c(c1)c1c(n2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC[NH2+]C1 ZINC001173431939 906468854 /nfs/dbraw/zinc/46/88/54/906468854.db2.gz RBTRVCAPMPPVJS-UHFFFAOYSA-N 1 0 398.510 3.944 20 30 GHEDRO C=CCn1c(SC[C@@H]2CC[N@@H+](C)C2)nnc1-c1ccc(Br)cc1 ZINC000191011578 906526221 /nfs/dbraw/zinc/52/62/21/906526221.db2.gz FUBHGGKTRUYWQY-CYBMUJFWSA-N 1 0 393.354 3.937 20 30 GHEDRO CC1(C#N)CCC([NH2+]C2(Cc3ccccc3Cl)CCS(=O)(=O)CC2)CC1 ZINC001173590534 906546679 /nfs/dbraw/zinc/54/66/79/906546679.db2.gz ACFGHNDBUFTCFD-UHFFFAOYSA-N 1 0 394.968 3.892 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000179634563 906547156 /nfs/dbraw/zinc/54/71/56/906547156.db2.gz YIYUZTOZPUIELY-KGLIPLIRSA-N 1 0 385.464 3.772 20 30 GHEDRO CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)CC2 ZINC001173624353 906574113 /nfs/dbraw/zinc/57/41/13/906574113.db2.gz WGOWZNZSXBCYDQ-QKWOESADSA-N 1 0 382.504 3.913 20 30 GHEDRO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001173733683 906673826 /nfs/dbraw/zinc/67/38/26/906673826.db2.gz DXEYOOORHBAYDZ-JTSKRJEESA-N 1 0 378.472 3.819 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001173733693 906674086 /nfs/dbraw/zinc/67/40/86/906674086.db2.gz DXEYOOORHBAYDZ-VGSWGCGISA-N 1 0 378.472 3.819 20 30 GHEDRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1C ZINC000180880801 906871012 /nfs/dbraw/zinc/87/10/12/906871012.db2.gz OMINGKFRJUUIBJ-STYZJACHSA-N 1 0 389.499 3.703 20 30 GHEDRO [NH3+]C[C@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629656450 906933681 /nfs/dbraw/zinc/93/36/81/906933681.db2.gz OTCHMFNOIQENQL-NWDGAFQWSA-N 1 0 388.327 3.726 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c1C#N ZINC000181545941 907023326 /nfs/dbraw/zinc/02/33/26/907023326.db2.gz KFSYIOJQVKFMTM-HNNXBMFYSA-N 1 0 392.459 3.613 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000181571665 907027843 /nfs/dbraw/zinc/02/78/43/907027843.db2.gz DQKPRXCCCMQQRT-RHSMWYFYSA-N 1 0 394.393 3.698 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OCC#N)cc1 ZINC000181571951 907029611 /nfs/dbraw/zinc/02/96/11/907029611.db2.gz YNMGYSMDCVNQGG-HRAATJIYSA-N 1 0 379.460 3.557 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181677307 907054582 /nfs/dbraw/zinc/05/45/82/907054582.db2.gz QKXFVACVLHQHNG-IBGZPJMESA-N 1 0 393.531 3.899 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)Cc3ccccc3CC#N)c2)CC1 ZINC000777378839 907139843 /nfs/dbraw/zinc/13/98/43/907139843.db2.gz UCJUIDIHMIZAJE-UHFFFAOYSA-N 1 0 375.516 3.843 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000191750579 907212587 /nfs/dbraw/zinc/21/25/87/907212587.db2.gz FMBRUELDENFAGE-AWEZNQCLSA-N 1 0 381.904 3.526 20 30 GHEDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1(C#N)CCCCC1 ZINC000192102936 907408433 /nfs/dbraw/zinc/40/84/33/907408433.db2.gz FYGJUMXYJWNVHC-MJGOQNOKSA-N 1 0 393.890 3.584 20 30 GHEDRO CCN1c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000183922387 907478229 /nfs/dbraw/zinc/47/82/29/907478229.db2.gz PIVIDNWJTAVHNM-UHFFFAOYSA-N 1 0 388.515 3.934 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)s2)cc1 ZINC000184788521 907658241 /nfs/dbraw/zinc/65/82/41/907658241.db2.gz HKFZTVDZSWLRDJ-LRTDBIEQSA-N 1 0 398.532 3.586 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001175690586 907697201 /nfs/dbraw/zinc/69/72/01/907697201.db2.gz ZUFFMDMLCRUHQM-WZONZLPQSA-N 1 0 379.479 3.563 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185723427 907822770 /nfs/dbraw/zinc/82/27/70/907822770.db2.gz CKODEGHSKFAKON-RTWAWAEBSA-N 1 0 396.579 3.793 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001176217295 907990718 /nfs/dbraw/zinc/99/07/18/907990718.db2.gz GDUWWTDFXJVYBG-KXBFYZLASA-N 1 0 381.451 3.747 20 30 GHEDRO C#Cc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000187385380 908084843 /nfs/dbraw/zinc/08/48/43/908084843.db2.gz HONDYOLMSUQSFA-INIZCTEOSA-N 1 0 375.472 3.605 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC001176410627 908104847 /nfs/dbraw/zinc/10/48/47/908104847.db2.gz BLKSAFZNNKRYFN-FPOVZHCZSA-N 1 0 383.536 3.769 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187970005 908162332 /nfs/dbraw/zinc/16/23/32/908162332.db2.gz DDXBTZXIPWGQBM-GUXCAODWSA-N 1 0 375.538 3.502 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC001176932507 908306726 /nfs/dbraw/zinc/30/67/26/908306726.db2.gz LXLPRVFCUWIINH-NFBKMPQASA-N 1 0 399.535 3.847 20 30 GHEDRO N#Cc1ccc(CN(C(=O)c2cc3c([nH]2)CCCC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001150644370 908402233 /nfs/dbraw/zinc/40/22/33/908402233.db2.gz RIPRSBGZALIOKD-MXVIHJGJSA-N 1 0 376.504 3.677 20 30 GHEDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccsc2S1 ZINC000190615457 908508425 /nfs/dbraw/zinc/50/84/25/908508425.db2.gz RDNPPOATTSICEQ-MORSLUCNSA-N 1 0 383.542 3.936 20 30 GHEDRO COc1cccc2cc([C@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc21 ZINC000190622667 908510212 /nfs/dbraw/zinc/51/02/12/908510212.db2.gz WFFYVWYUURKXPA-KXBFYZLASA-N 1 0 389.455 3.765 20 30 GHEDRO COc1ccc(CNC(=S)NN=C(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779760095 908622661 /nfs/dbraw/zinc/62/26/61/908622661.db2.gz MLEJOELTHPHAAV-HXUWFJFHSA-N 1 0 396.560 3.557 20 30 GHEDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC001177533259 908623557 /nfs/dbraw/zinc/62/35/57/908623557.db2.gz XLLMCWANRXUFKP-IBGZPJMESA-N 1 0 377.488 3.959 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)cc1OC ZINC001177638096 908684329 /nfs/dbraw/zinc/68/43/29/908684329.db2.gz TYJQTLZVIXSFGS-UHFFFAOYSA-N 1 0 376.497 3.749 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634373594 908694960 /nfs/dbraw/zinc/69/49/60/908694960.db2.gz IZRQYAVYEWBBTL-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1OC ZINC001177719209 908705528 /nfs/dbraw/zinc/70/55/28/908705528.db2.gz XKJGOUOEIDXYGK-UHFFFAOYSA-N 1 0 384.904 3.918 20 30 GHEDRO N#C[C@@H](Cc1cccs1)C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001177917468 908802538 /nfs/dbraw/zinc/80/25/38/908802538.db2.gz HYIWHIMGFUGMJY-MRXNPFEDSA-N 1 0 387.936 3.646 20 30 GHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193127145 908852647 /nfs/dbraw/zinc/85/26/47/908852647.db2.gz JWCMEPHQHSSYLM-OAQYLSRUSA-N 1 0 391.559 3.663 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccccc2OCC#N)[NH+]2CCCCC2)cc1 ZINC000194055519 908856362 /nfs/dbraw/zinc/85/63/62/908856362.db2.gz CYSJJLIPJJGYJX-OAQYLSRUSA-N 1 0 393.487 3.555 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(CN(CC)C(=O)OC(C)(C)C)c2)CC1 ZINC000195022283 908955772 /nfs/dbraw/zinc/95/57/72/908955772.db2.gz JBQDGNJNOQFHSW-UHFFFAOYSA-N 1 0 399.535 3.727 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001178921721 909318257 /nfs/dbraw/zinc/31/82/57/909318257.db2.gz FWVLOSUNGPVENQ-YSIASYRMSA-N 1 0 398.551 3.749 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1OC ZINC000267388644 909476562 /nfs/dbraw/zinc/47/65/62/909476562.db2.gz CGEZHDVUPQVMMQ-LAUBAEHRSA-N 1 0 383.492 3.907 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)cc1 ZINC000267476940 909518368 /nfs/dbraw/zinc/51/83/68/909518368.db2.gz WYGUXGMXZVGHGD-IBGZPJMESA-N 1 0 398.551 3.696 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1OC ZINC000246312719 910226643 /nfs/dbraw/zinc/22/66/43/910226643.db2.gz WIKUDTRHKPRHOK-STZQEDGTSA-N 1 0 393.531 3.986 20 30 GHEDRO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246437226 910293604 /nfs/dbraw/zinc/29/36/04/910293604.db2.gz DDVMRECSMRFXAW-RTBURBONSA-N 1 0 383.517 3.927 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccc(C)cc2)c(C)s1 ZINC000269693747 910336431 /nfs/dbraw/zinc/33/64/31/910336431.db2.gz JMLFOZUJCMBGAI-MRXNPFEDSA-O 1 0 389.566 3.526 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1C ZINC000795489831 910677608 /nfs/dbraw/zinc/67/76/08/910677608.db2.gz ZOYRFANCDPCYJV-VGOFRKELSA-N 1 0 397.544 3.904 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCS(=O)(=O)Cc2ccccc2)CC1 ZINC000271094178 910779065 /nfs/dbraw/zinc/77/90/65/910779065.db2.gz XWGVYXFMLWQJGC-UHFFFAOYSA-N 1 0 396.556 3.985 20 30 GHEDRO CS(=O)(=O)Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000271090296 910779187 /nfs/dbraw/zinc/77/91/87/910779187.db2.gz VWJJQMFIJVQWDB-UHFFFAOYSA-N 1 0 382.529 3.725 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000271232894 910828054 /nfs/dbraw/zinc/82/80/54/910828054.db2.gz ZFHJSYHBXQDODP-NRFANRHFSA-N 1 0 398.938 3.968 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1OCCCC#N ZINC000271334052 910865694 /nfs/dbraw/zinc/86/56/94/910865694.db2.gz NLGSJNJFPPBICF-SFHVURJKSA-N 1 0 395.507 3.753 20 30 GHEDRO COc1ccc(F)cc1CC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181694139 910946070 /nfs/dbraw/zinc/94/60/70/910946070.db2.gz JSIMWRUQZXGVET-MEMLXQNLSA-N 1 0 395.478 3.547 20 30 GHEDRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)Cc2ccccc2C#N)CC1 ZINC001181802805 910992938 /nfs/dbraw/zinc/99/29/38/910992938.db2.gz UZDQJNFBPJHYQQ-UHFFFAOYSA-N 1 0 381.451 3.599 20 30 GHEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271686994 911013308 /nfs/dbraw/zinc/01/33/08/911013308.db2.gz QPHRICUNEAKZDS-JXFKEZNVSA-N 1 0 393.487 3.590 20 30 GHEDRO CC(C)[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(C(F)(F)F)cc1 ZINC000271690159 911015080 /nfs/dbraw/zinc/01/50/80/911015080.db2.gz KHGGGXXSBUAFHU-QCPHZMBFSA-N 1 0 381.398 3.519 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000091918753 911333656 /nfs/dbraw/zinc/33/36/56/911333656.db2.gz KJXJEPZZFOLMHO-UHFFFAOYSA-N 1 0 378.472 3.558 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 ZINC001182340266 911508686 /nfs/dbraw/zinc/50/86/86/911508686.db2.gz JTDTYKDTIGMKPJ-UHFFFAOYSA-N 1 0 379.479 3.753 20 30 GHEDRO CC(=O)Nc1nc2ccc(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)cc2s1 ZINC001212937802 911762801 /nfs/dbraw/zinc/76/28/01/911762801.db2.gz XQZNCPDLGPCJJV-UHFFFAOYSA-N 1 0 383.502 3.919 20 30 GHEDRO N#Cc1cccc2[nH]cc(CC(=O)NCC3CC[NH+](C4CCCCC4)CC3)c21 ZINC001182584117 911888608 /nfs/dbraw/zinc/88/86/08/911888608.db2.gz ZCGQKTDHBASXES-UHFFFAOYSA-N 1 0 378.520 3.743 20 30 GHEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000796354127 914900843 /nfs/dbraw/zinc/90/08/43/914900843.db2.gz WHWAKLTXJHAIKQ-HZUKXOBISA-N 1 0 388.817 3.846 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)cc3)CC2)C1=O ZINC001275590240 915094650 /nfs/dbraw/zinc/09/46/50/915094650.db2.gz UJAPQUREVVELGP-LJQANCHMSA-N 1 0 377.326 3.840 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1 ZINC000303776476 915122091 /nfs/dbraw/zinc/12/20/91/915122091.db2.gz HUUNBVMNPLZZTA-OXJNMPFZSA-N 1 0 384.524 3.902 20 30 GHEDRO [NH2+]=C(NCc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)CCC2 ZINC000303785992 915127861 /nfs/dbraw/zinc/12/78/61/915127861.db2.gz QWVCNZQBJFSESR-UHFFFAOYSA-N 1 0 376.504 3.728 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303868778 915227310 /nfs/dbraw/zinc/22/73/10/915227310.db2.gz DNGPYPZFAKJBQN-UHFFFAOYSA-N 1 0 388.515 3.948 20 30 GHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000303870390 915228376 /nfs/dbraw/zinc/22/83/76/915228376.db2.gz BGHKDIMNIDUJCB-KRWDZBQOSA-N 1 0 387.549 3.932 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1Cl ZINC000303885929 915298174 /nfs/dbraw/zinc/29/81/74/915298174.db2.gz NNKPCNZUSDQUMO-GFCCVEGCSA-N 1 0 394.853 3.880 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000303889448 915298402 /nfs/dbraw/zinc/29/84/02/915298402.db2.gz LWSXZJUFKKCDEZ-UHFFFAOYSA-N 1 0 376.508 3.936 20 30 GHEDRO CNC(=O)c1cccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303891273 915299347 /nfs/dbraw/zinc/29/93/47/915299347.db2.gz MYNDPHOMNVTKTP-LLVKDONJSA-N 1 0 379.291 3.519 20 30 GHEDRO CCNC(=O)c1cccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303894298 915301168 /nfs/dbraw/zinc/30/11/68/915301168.db2.gz SLBYSWFBIGZOSS-LBPRGKRZSA-N 1 0 393.318 3.909 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)cs3)CC2)C1=O ZINC001275610746 915302135 /nfs/dbraw/zinc/30/21/35/915302135.db2.gz KYKGLHDPGXOAAZ-KRWDZBQOSA-N 1 0 383.355 3.901 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCOc2ccc(F)cc2F)c1 ZINC000304714223 915635502 /nfs/dbraw/zinc/63/55/02/915635502.db2.gz MSOYGOCWSYVLBF-UHFFFAOYSA-N 1 0 379.407 3.568 20 30 GHEDRO Cc1nc(CN2CCC(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)CC2)oc1C ZINC000304743877 915668474 /nfs/dbraw/zinc/66/84/74/915668474.db2.gz DKMPXRGAIJZXNA-UHFFFAOYSA-N 1 0 399.539 3.717 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCCO[C@@H]2CCCc3ccccc32)cc1OC ZINC000304763384 915700944 /nfs/dbraw/zinc/70/09/44/915700944.db2.gz WSWIFVBNTJVWMV-LJQANCHMSA-N 1 0 383.492 3.915 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCc2csc(CCc3ccccc3)n2)cc1 ZINC000304815162 915722599 /nfs/dbraw/zinc/72/25/99/915722599.db2.gz SUFVSJSHFQMAIN-UHFFFAOYSA-N 1 0 394.544 3.584 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000305182111 915980517 /nfs/dbraw/zinc/98/05/17/915980517.db2.gz WKNMFBRQJCWVHV-INIZCTEOSA-N 1 0 395.425 3.780 20 30 GHEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000305182113 915981101 /nfs/dbraw/zinc/98/11/01/915981101.db2.gz WKNMFBRQJCWVHV-MRXNPFEDSA-N 1 0 395.425 3.780 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000293304347 916114129 /nfs/dbraw/zinc/11/41/29/916114129.db2.gz WPSFVIVJZAGIHV-UHFFFAOYSA-N 1 0 390.409 3.696 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(Br)c3)CC2)C1=O ZINC001275709607 916239310 /nfs/dbraw/zinc/23/93/10/916239310.db2.gz OCYJXVJYQBQGEY-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000305767654 916367504 /nfs/dbraw/zinc/36/75/04/916367504.db2.gz IDWSAWAVSBRFEH-SFHVURJKSA-N 1 0 381.476 3.570 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](CC3CCOCC3)C2)c1 ZINC001189282457 916508107 /nfs/dbraw/zinc/50/81/07/916508107.db2.gz WFQNZXQYSALXKD-OAQYLSRUSA-N 1 0 385.552 3.755 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NCc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000650077161 916705716 /nfs/dbraw/zinc/70/57/16/916705716.db2.gz JRBKRYBDVHHICL-AEFFLSMTSA-N 1 0 375.469 3.790 20 30 GHEDRO C=C(C)Cc1ccc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001190216704 917203603 /nfs/dbraw/zinc/20/36/03/917203603.db2.gz LEODKZFNBRHNGO-CVDCTZTESA-N 1 0 395.478 3.507 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000650851979 917302957 /nfs/dbraw/zinc/30/29/57/917302957.db2.gz LHSUJAYPTYITGA-GOSISDBHSA-N 1 0 375.488 3.768 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000650851980 917303039 /nfs/dbraw/zinc/30/30/39/917303039.db2.gz LHSUJAYPTYITGA-SFHVURJKSA-N 1 0 375.488 3.768 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)c1ccccc1 ZINC000775397671 917410698 /nfs/dbraw/zinc/41/06/98/917410698.db2.gz ABKHMUFDZQAZIE-JOCHJYFZSA-N 1 0 376.500 3.978 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000775403716 917487962 /nfs/dbraw/zinc/48/79/62/917487962.db2.gz IHHOAUSDUDMLCW-SFHVURJKSA-N 1 0 376.378 3.556 20 30 GHEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000295883988 917575695 /nfs/dbraw/zinc/57/56/95/917575695.db2.gz HGAODOPWCRBBKG-PXNSSMCTSA-N 1 0 399.514 3.556 20 30 GHEDRO CCc1ccc([C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[NH+](CC)CC)cc1 ZINC001190838082 917591749 /nfs/dbraw/zinc/59/17/49/917591749.db2.gz DUTFJALSYXMPMP-JOCHJYFZSA-N 1 0 399.560 3.623 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(C)(C)O ZINC001190865342 917615459 /nfs/dbraw/zinc/61/54/59/917615459.db2.gz UECPGMPNIUXMRC-AWEZNQCLSA-N 1 0 377.554 3.556 20 30 GHEDRO CC(C)(C)N(C(=O)c1cccc(C(C)(C)C#N)c1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001190928229 917643549 /nfs/dbraw/zinc/64/35/49/917643549.db2.gz MLKIYTXYHFBDOO-LJQANCHMSA-N 1 0 383.536 3.640 20 30 GHEDRO CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001191174746 917831489 /nfs/dbraw/zinc/83/14/89/917831489.db2.gz BEJBZCCSSZTJHX-UHFFFAOYSA-N 1 0 392.499 3.536 20 30 GHEDRO CC(C)(O)C#Cc1ccc(C(=O)NCC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001191189442 917841958 /nfs/dbraw/zinc/84/19/58/917841958.db2.gz UGRMNYPCDVUBRM-UHFFFAOYSA-N 1 0 382.548 3.584 20 30 GHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001191243434 917874864 /nfs/dbraw/zinc/87/48/64/917874864.db2.gz CIWJYPDBYLTBAN-NRFANRHFSA-N 1 0 396.922 3.919 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)OCc3ccccc3)CC2)c(F)c1 ZINC000796516066 917947688 /nfs/dbraw/zinc/94/76/88/917947688.db2.gz FHYRPTCXABRHLR-UHFFFAOYSA-N 1 0 382.435 3.674 20 30 GHEDRO N#Cc1cc(F)c(C(=O)N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC001191949457 918314642 /nfs/dbraw/zinc/31/46/42/918314642.db2.gz JKHPTYCLGPVNMZ-UHFFFAOYSA-N 1 0 389.833 3.666 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC001192070777 918405268 /nfs/dbraw/zinc/40/52/68/918405268.db2.gz NHBRXVAXKBTNQD-XMMPIXPASA-N 1 0 394.474 3.860 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2CCC(F)(F)CC2)c(OC)c1 ZINC000653868026 918561466 /nfs/dbraw/zinc/56/14/66/918561466.db2.gz MRUNAVIOMWQJHP-QAPCUYQASA-N 1 0 383.479 3.967 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000296793728 918750515 /nfs/dbraw/zinc/75/05/15/918750515.db2.gz FIXMYTRYUJJXCY-IEZWGBDMSA-N 1 0 379.426 3.640 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3O)CC2)C1=O ZINC001275893483 919294101 /nfs/dbraw/zinc/29/41/01/919294101.db2.gz ZDZWLZCZOSIVLP-HXUWFJFHSA-N 1 0 375.900 3.554 20 30 GHEDRO Cc1ccccc1NC(=O)[C@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000113249759 919365109 /nfs/dbraw/zinc/36/51/09/919365109.db2.gz DRXDJTXIZUDLHF-SFHVURJKSA-N 1 0 394.519 3.645 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000114747502 919413754 /nfs/dbraw/zinc/41/37/54/919413754.db2.gz FIXBPMTZIBKIFK-UZLBHIALSA-N 1 0 393.487 3.810 20 30 GHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000115412520 919452192 /nfs/dbraw/zinc/45/21/92/919452192.db2.gz BDSISNZIGSLCHS-UHFFFAOYSA-N 1 0 375.831 3.820 20 30 GHEDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000116363092 919503682 /nfs/dbraw/zinc/50/36/82/919503682.db2.gz GWJQNNBMZHQHAI-CTNGQTDRSA-N 1 0 393.535 3.637 20 30 GHEDRO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3c(Cl)ccc(F)c3Cl)C2)C1=O ZINC001275925882 919736642 /nfs/dbraw/zinc/73/66/42/919736642.db2.gz CEOJFEHCFRVMLN-SFHVURJKSA-N 1 0 384.282 3.861 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000800409509 920042738 /nfs/dbraw/zinc/04/27/38/920042738.db2.gz NIYWSSPIVBZMAF-KRWDZBQOSA-N 1 0 375.394 3.691 20 30 GHEDRO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCN(CC(F)F)C2=O)CC1 ZINC001275957798 920222120 /nfs/dbraw/zinc/22/21/20/920222120.db2.gz WVZNFUHFSCOXGI-IBGZPJMESA-N 1 0 381.854 3.681 20 30 GHEDRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000900638572 920479464 /nfs/dbraw/zinc/47/94/64/920479464.db2.gz XHOXAQIDCNYXFK-UHFFFAOYSA-N 1 0 392.503 3.705 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000800882841 920562730 /nfs/dbraw/zinc/56/27/30/920562730.db2.gz CYEZIZRYAPBNEJ-ICSRJNTNSA-N 1 0 377.488 3.614 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC3CC[NH+](CC4CC4)CC3)s2)cc1 ZINC000298721680 920849039 /nfs/dbraw/zinc/84/90/39/920849039.db2.gz VQFSLBBIRZGQAY-UHFFFAOYSA-N 1 0 395.532 3.601 20 30 GHEDRO CC(C)[C@H]1C[C@H](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000367820798 922327383 /nfs/dbraw/zinc/32/73/83/922327383.db2.gz KYSNPCAYHGYNDA-NHCUHLMSSA-N 1 0 383.536 3.502 20 30 GHEDRO COc1ccc(CN[C@@H](c2cnn(C)c2)c2ccccc2)cc1OCCCC#N ZINC000368244363 922549883 /nfs/dbraw/zinc/54/98/83/922549883.db2.gz NQGUKBSFTWTPML-HSZRJFAPSA-N 1 0 390.487 3.990 20 30 GHEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000368516530 922723130 /nfs/dbraw/zinc/72/31/30/922723130.db2.gz ZHWQFQFKIJVTRO-RTBURBONSA-N 1 0 376.504 3.513 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368532496 922733294 /nfs/dbraw/zinc/73/32/94/922733294.db2.gz YZZUJJTZNPIRPQ-HSZRJFAPSA-N 1 0 376.504 3.612 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cccc(C#N)c1 ZINC000903093370 922766060 /nfs/dbraw/zinc/76/60/60/922766060.db2.gz ISAJCQAGGQULGY-JOCHJYFZSA-N 1 0 376.504 3.501 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903197419 922845915 /nfs/dbraw/zinc/84/59/15/922845915.db2.gz YRMWJKUFMDEOTL-KRWDZBQOSA-N 1 0 398.551 3.558 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000368787461 922873683 /nfs/dbraw/zinc/87/36/83/922873683.db2.gz WDGXYYRFXBNAJA-SJLPKXTDSA-N 1 0 387.549 3.768 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000803856988 923321703 /nfs/dbraw/zinc/32/17/03/923321703.db2.gz VVVYRRPFBXIMCV-VQTJNVASSA-N 1 0 399.535 3.746 20 30 GHEDRO COc1cccc(Cl)c1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000369940503 923756118 /nfs/dbraw/zinc/75/61/18/923756118.db2.gz UFVKJQXTSRWHIG-UHFFFAOYSA-N 1 0 397.906 3.566 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000369947830 923761969 /nfs/dbraw/zinc/76/19/69/923761969.db2.gz ZMTFNYXLFDZTFA-IAGOWNOFSA-N 1 0 375.538 3.768 20 30 GHEDRO CO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000369992327 923788095 /nfs/dbraw/zinc/78/80/95/923788095.db2.gz BHCZNWZUYIYOEE-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO N#CC1(NC(=O)c2cc3c(cccc3F)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000371529092 924636192 /nfs/dbraw/zinc/63/61/92/924636192.db2.gz QAVQVSRTQKTXOT-UHFFFAOYSA-N 1 0 376.435 3.595 20 30 GHEDRO N#CC1(NC(=O)CCc2c[nH]c3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000371532820 924640544 /nfs/dbraw/zinc/64/05/44/924640544.db2.gz BCRFCSCWXQKPFO-UHFFFAOYSA-N 1 0 386.499 3.775 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[NH+](CC)CC ZINC000409465525 924647654 /nfs/dbraw/zinc/64/76/54/924647654.db2.gz NWERJCLIJATUQI-UHFFFAOYSA-N 1 0 386.309 3.628 20 30 GHEDRO Cc1cc(C)c(C)c(OCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000409794539 925005725 /nfs/dbraw/zinc/00/57/25/925005725.db2.gz PTXOBOHPKZMWJH-UHFFFAOYSA-N 1 0 393.531 3.843 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000372368454 925367130 /nfs/dbraw/zinc/36/71/30/925367130.db2.gz JJOKNARMVQZCNA-JOCHJYFZSA-N 1 0 377.488 3.614 20 30 GHEDRO Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c(C[NH+](C)C)c1 ZINC000410355557 925559019 /nfs/dbraw/zinc/55/90/19/925559019.db2.gz UILULCIQBJFAAS-UHFFFAOYSA-N 1 0 397.422 3.748 20 30 GHEDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000373184489 925915156 /nfs/dbraw/zinc/91/51/56/925915156.db2.gz DXZISYNBDPHVRW-QFIPXVFZSA-N 1 0 377.488 3.645 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3cc(F)c(F)cc3Br)CC2)C1=O ZINC001276147462 926008028 /nfs/dbraw/zinc/00/80/28/926008028.db2.gz VLDIUVLGAVFEPM-UHFFFAOYSA-N 1 0 399.279 3.728 20 30 GHEDRO N#Cc1ccc(C2(C(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC2)cc1 ZINC000373417207 926098947 /nfs/dbraw/zinc/09/89/47/926098947.db2.gz LETUHBJBAGJUNH-UHFFFAOYSA-N 1 0 391.437 3.511 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H](CCO)c3ccccc3)sc2C1 ZINC000411440884 926400103 /nfs/dbraw/zinc/40/01/03/926400103.db2.gz CMQYZBIYVPFHBM-BEFAXECRSA-N 1 0 397.544 3.786 20 30 GHEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411566702 926514020 /nfs/dbraw/zinc/51/40/20/926514020.db2.gz ZYTYMSQVXGYHCN-DLBZAZTESA-N 1 0 375.538 3.620 20 30 GHEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000374215359 926904391 /nfs/dbraw/zinc/90/43/91/926904391.db2.gz DOQZDRVQPPIZSX-TZIWHRDSSA-N 1 0 375.520 3.942 20 30 GHEDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCC1 ZINC000412019513 927016963 /nfs/dbraw/zinc/01/69/63/927016963.db2.gz FOYWDIPXQJSXAY-ZIAGYGMSSA-N 1 0 375.538 3.620 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000412073287 927069841 /nfs/dbraw/zinc/06/98/41/927069841.db2.gz HWFIREOTKZMKQH-LAUBAEHRSA-N 1 0 380.488 3.739 20 30 GHEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000412573748 927591629 /nfs/dbraw/zinc/59/16/29/927591629.db2.gz NJKUNEMDKAMPMD-SFHVURJKSA-N 1 0 381.476 3.662 20 30 GHEDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374882891 927650323 /nfs/dbraw/zinc/65/03/23/927650323.db2.gz RDWPTQMARUQJLW-MOPGFXCFSA-N 1 0 379.529 3.835 20 30 GHEDRO CC(C)n1ncc2c1[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000375184924 928016989 /nfs/dbraw/zinc/01/69/89/928016989.db2.gz TZPJZEJOMLXXSG-QFIPXVFZSA-N 1 0 377.536 3.967 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2C)ccc1OC ZINC000751502200 928224987 /nfs/dbraw/zinc/22/49/87/928224987.db2.gz ZVLRGFBAVXTJKB-GOSISDBHSA-N 1 0 384.476 3.992 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCCCC2N=Nc2nc3ccccc3c(=O)n2C)C1 ZINC000751521927 928233388 /nfs/dbraw/zinc/23/33/88/928233388.db2.gz RYUOLGKQQQPZDS-QINHECLXSA-N 1 0 381.524 3.622 20 30 GHEDRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413137903 928248747 /nfs/dbraw/zinc/24/87/47/928248747.db2.gz CILWLFIAXXDDOL-ZDUSSCGKSA-N 1 0 386.481 3.566 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000752053639 928572346 /nfs/dbraw/zinc/57/23/46/928572346.db2.gz HENFWWKMXCOPFO-VQTJNVASSA-N 1 0 399.535 3.686 20 30 GHEDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467121525 928723758 /nfs/dbraw/zinc/72/37/58/928723758.db2.gz YVLXSRZPJOTWFM-MRXNPFEDSA-N 1 0 389.565 3.966 20 30 GHEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000467219078 928841130 /nfs/dbraw/zinc/84/11/30/928841130.db2.gz QMOZOFHBBCNYJW-DEOSSOPVSA-N 1 0 399.498 3.780 20 30 GHEDRO CC[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000467411677 929045200 /nfs/dbraw/zinc/04/52/00/929045200.db2.gz PIYPISWDNZAKIK-GOSISDBHSA-N 1 0 391.924 3.621 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000544408385 929140969 /nfs/dbraw/zinc/14/09/69/929140969.db2.gz WXXJOPGCAGLEOR-OAQYLSRUSA-N 1 0 394.494 3.931 20 30 GHEDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000544454255 929202713 /nfs/dbraw/zinc/20/27/13/929202713.db2.gz CHNULTUDTQJCAC-OAQYLSRUSA-N 1 0 379.504 3.799 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000467678492 929296259 /nfs/dbraw/zinc/29/62/59/929296259.db2.gz NFKPOHAFQBSADX-UHFFFAOYSA-N 1 0 377.488 3.695 20 30 GHEDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000753570505 929425050 /nfs/dbraw/zinc/42/50/50/929425050.db2.gz OENZBGCBKFFGBM-LJQANCHMSA-N 1 0 385.895 3.923 20 30 GHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cccc21 ZINC000469339404 929799911 /nfs/dbraw/zinc/79/99/11/929799911.db2.gz KEJCKWMMTPCQPC-IBGZPJMESA-N 1 0 379.460 3.740 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469475871 929924026 /nfs/dbraw/zinc/92/40/26/929924026.db2.gz GGGWHXQXJZQEAS-IBGZPJMESA-N 1 0 378.520 3.749 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000758644313 930114761 /nfs/dbraw/zinc/11/47/61/930114761.db2.gz LJVHMZJKSXPQBD-HXUWFJFHSA-N 1 0 389.540 3.725 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000469884380 930235008 /nfs/dbraw/zinc/23/50/08/930235008.db2.gz NDLQSWXSPZXNSC-YQQAZPJKSA-N 1 0 395.341 3.582 20 30 GHEDRO C[N@H+](Cc1ccccc1NC(=O)[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000780861174 930619251 /nfs/dbraw/zinc/61/92/51/930619251.db2.gz RWLBWVBWYCHFAA-QFIPXVFZSA-N 1 0 377.488 3.995 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000781375914 930821511 /nfs/dbraw/zinc/82/15/11/930821511.db2.gz NGYCWJJKUHPEIV-SLYNCCJLSA-N 1 0 398.551 3.820 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000547415374 930995781 /nfs/dbraw/zinc/99/57/81/930995781.db2.gz BWMITQLYRGBEIC-UHFFFAOYSA-N 1 0 380.492 3.595 20 30 GHEDRO N#Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Br)c1 ZINC000471000164 931086564 /nfs/dbraw/zinc/08/65/64/931086564.db2.gz YSJSKNKPHREJMJ-BGYRXZFFSA-N 1 0 396.332 3.885 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000471043278 931113380 /nfs/dbraw/zinc/11/33/80/931113380.db2.gz FJOUUCLMETVIMY-LJQANCHMSA-N 1 0 399.583 3.694 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000557118136 931218466 /nfs/dbraw/zinc/21/84/66/931218466.db2.gz MKWUJRJWEHEYGO-QHCPKHFHSA-N 1 0 391.540 3.775 20 30 GHEDRO Cc1noc(C)c1CC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925004729 931609423 /nfs/dbraw/zinc/60/94/23/931609423.db2.gz UOBLWVPFOOXVRY-OAHLLOKOSA-N 1 0 390.528 3.743 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@@H](NC(C)=O)c2ccccc2F)c1 ZINC000925419303 931777390 /nfs/dbraw/zinc/77/73/90/931777390.db2.gz OHDSVIGWEOZLAC-YBOAYWMSSA-N 1 0 383.467 3.862 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784503398 931916067 /nfs/dbraw/zinc/91/60/67/931916067.db2.gz CFULNJZNMFWMNG-WDSOQIARSA-N 1 0 385.508 3.692 20 30 GHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000784868466 932015813 /nfs/dbraw/zinc/01/58/13/932015813.db2.gz XYDPCQMZDRLKMG-HNNXBMFYSA-N 1 0 378.350 3.615 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000558476875 932024973 /nfs/dbraw/zinc/02/49/73/932024973.db2.gz YRDKLZNZMPSQKN-FCHUYYIVSA-N 1 0 399.498 3.562 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000796710762 932038830 /nfs/dbraw/zinc/03/88/30/932038830.db2.gz ZVZTXBYAHNWICA-FQEVSTJZSA-N 1 0 389.421 3.869 20 30 GHEDRO CCN(CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000796746072 932051356 /nfs/dbraw/zinc/05/13/56/932051356.db2.gz FPIVYDRLRCPPTR-UHFFFAOYSA-N 1 0 386.540 3.764 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000796752440 932054013 /nfs/dbraw/zinc/05/40/13/932054013.db2.gz HTFHIJSMLAKRGR-HXUWFJFHSA-N 1 0 389.421 3.567 20 30 GHEDRO COc1c(C)cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000796965596 932126342 /nfs/dbraw/zinc/12/63/42/932126342.db2.gz QKHGNRZSXXLPDX-MGPUTAFESA-N 1 0 397.906 3.980 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000558640383 932135226 /nfs/dbraw/zinc/13/52/26/932135226.db2.gz KSRIYYJSDSHXHP-QHCPKHFHSA-N 1 0 392.547 3.915 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000797008473 932142748 /nfs/dbraw/zinc/14/27/48/932142748.db2.gz VJYANUDXHIPHEY-LSTHTHJFSA-N 1 0 390.524 3.659 20 30 GHEDRO Cc1ncsc1CC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926517632 932215026 /nfs/dbraw/zinc/21/50/26/932215026.db2.gz DFDBWPUSIKRQEX-HNNXBMFYSA-N 1 0 392.569 3.903 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926543900 932222372 /nfs/dbraw/zinc/22/23/72/932222372.db2.gz YSCSQNXCOPFMRS-QBUWPKIASA-N 1 0 390.572 3.521 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000797415992 932275826 /nfs/dbraw/zinc/27/58/26/932275826.db2.gz ILEMHSKFEHGEME-PNLZDCPESA-N 1 0 375.509 3.678 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000558871338 932284056 /nfs/dbraw/zinc/28/40/56/932284056.db2.gz KKSRAUATTODQBE-UHFFFAOYSA-N 1 0 390.409 3.744 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCC#Cc1cccc(F)c1 ZINC000558916139 932314031 /nfs/dbraw/zinc/31/40/31/932314031.db2.gz YVNHYWVBYGFAEH-RTBURBONSA-N 1 0 393.506 3.633 20 30 GHEDRO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926838564 932323224 /nfs/dbraw/zinc/32/32/24/932323224.db2.gz STPSJBZEAPKSJE-RDJZCZTQSA-N 1 0 387.528 3.755 20 30 GHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)NCC3(CC#N)CC3)cc2Cl)CC1 ZINC000797560440 932327699 /nfs/dbraw/zinc/32/76/99/932327699.db2.gz AYKLUSQEYWMSAL-UHFFFAOYSA-N 1 0 389.931 3.687 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCC[C@]12CCCO2 ZINC000926862210 932329668 /nfs/dbraw/zinc/32/96/68/932329668.db2.gz WNNTYJJVDGGAMM-FGSXEWAUSA-N 1 0 391.556 3.997 20 30 GHEDRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1C#N ZINC000926967927 932366359 /nfs/dbraw/zinc/36/63/59/932366359.db2.gz YSVMYZNHFYFPGC-INIZCTEOSA-N 1 0 390.487 3.722 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c(C#N)c1C ZINC000559339472 932612997 /nfs/dbraw/zinc/61/29/97/932612997.db2.gz MKFXIBOSHYMZAL-UONOGXRCSA-N 1 0 395.438 3.771 20 30 GHEDRO C=CC[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccccc1 ZINC000777655621 932741538 /nfs/dbraw/zinc/74/15/38/932741538.db2.gz GBTFLWKPHMIZDK-OAQYLSRUSA-N 1 0 395.522 3.944 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](c3ccccn3)C1)CCCC2 ZINC000799195890 932910238 /nfs/dbraw/zinc/91/02/38/932910238.db2.gz IHYWQKGRXVAWAG-HNNXBMFYSA-N 1 0 380.517 3.712 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)CC1 ZINC000928651334 933052381 /nfs/dbraw/zinc/05/23/81/933052381.db2.gz SHJGGAUPOFAANH-UHFFFAOYSA-N 1 0 399.535 3.749 20 30 GHEDRO C=CCc1cc(C(=O)Nc2c[nH+]ccc2-n2ccnc2C)cc(OC)c1OC ZINC001116062923 933313795 /nfs/dbraw/zinc/31/37/95/933313795.db2.gz SSIJGFBIPFWJRS-UHFFFAOYSA-N 1 0 378.432 3.574 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3c(F)cccc3C#N)cc2)C1 ZINC000560551763 933336475 /nfs/dbraw/zinc/33/64/75/933336475.db2.gz OCBTWZFOLGNTDF-MRXNPFEDSA-N 1 0 381.451 3.599 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC001116162092 933371482 /nfs/dbraw/zinc/37/14/82/933371482.db2.gz WPCYTOLUFMFRME-UHFFFAOYSA-N 1 0 387.487 3.625 20 30 GHEDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)[nH]1 ZINC000560661135 933426442 /nfs/dbraw/zinc/42/64/42/933426442.db2.gz RPDIAGLKYNQZHI-NRFANRHFSA-N 1 0 387.487 3.943 20 30 GHEDRO N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000560712087 933485966 /nfs/dbraw/zinc/48/59/66/933485966.db2.gz VAPYWQVLSCWSJY-UHFFFAOYSA-N 1 0 392.528 3.934 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC001116382079 933526603 /nfs/dbraw/zinc/52/66/03/933526603.db2.gz GJJBQEUOWHEIGO-ACRUOGEOSA-N 1 0 380.467 3.915 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001116932224 933834225 /nfs/dbraw/zinc/83/42/25/933834225.db2.gz WZVKYMFIYGEQSC-UHFFFAOYSA-N 1 0 378.520 3.879 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cnn(-c2ccccc2)c1C)[n+]1ccc(C)cc1 ZINC001117100338 933854752 /nfs/dbraw/zinc/85/47/52/933854752.db2.gz BWUUXCYQZZTKAL-UHFFFAOYSA-O 1 0 391.520 3.763 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000930193628 933884999 /nfs/dbraw/zinc/88/49/99/933884999.db2.gz RUYZWVVRCGPOTO-HXUWFJFHSA-N 1 0 375.472 3.585 20 30 GHEDRO COc1cccc([C@H](C)[NH+]2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)c1 ZINC000561176001 933935011 /nfs/dbraw/zinc/93/50/11/933935011.db2.gz FVXSQKWGWZTZBE-HNNXBMFYSA-N 1 0 395.894 3.751 20 30 GHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000561306865 934040166 /nfs/dbraw/zinc/04/01/66/934040166.db2.gz TZHFGEGVECEUPS-LSDHHAIUSA-N 1 0 392.450 3.540 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000561650882 934338360 /nfs/dbraw/zinc/33/83/60/934338360.db2.gz LPWSJKOIHUXNRQ-JOCHJYFZSA-N 1 0 379.504 3.697 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000561753227 934421240 /nfs/dbraw/zinc/42/12/40/934421240.db2.gz GWMLHEDWSDTPLG-WZONZLPQSA-N 1 0 389.499 3.836 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)c1 ZINC001120278298 934452989 /nfs/dbraw/zinc/45/29/89/934452989.db2.gz XPDIDQUIGHUSMM-FQEVSTJZSA-N 1 0 391.471 3.549 20 30 GHEDRO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001121582948 934705783 /nfs/dbraw/zinc/70/57/83/934705783.db2.gz YWOISIYFBARPJH-DLBZAZTESA-N 1 0 375.561 3.651 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2sccc2C#N)CCOCC1)c1ccccc1 ZINC000931842124 934744238 /nfs/dbraw/zinc/74/42/38/934744238.db2.gz GIYNQSMJHOMAFI-HNNXBMFYSA-N 1 0 384.505 3.641 20 30 GHEDRO Cc1[nH+]ccc(NCc2cccn2Cc2ccccc2C#N)c1Br ZINC000562325373 934824057 /nfs/dbraw/zinc/82/40/57/934824057.db2.gz VRIPFRGRGOFPCP-UHFFFAOYSA-N 1 0 381.277 3.908 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001122465560 934876286 /nfs/dbraw/zinc/87/62/86/934876286.db2.gz ABTSIPOIIBSONJ-IHPCNDPISA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC(C)=NN=C2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001122537123 934892867 /nfs/dbraw/zinc/89/28/67/934892867.db2.gz GUNHEKSKXHXNBH-HXUWFJFHSA-N 1 0 399.587 3.735 20 30 GHEDRO C=C(C)Cn1c(-c2cocn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001122560820 934900436 /nfs/dbraw/zinc/90/04/36/934900436.db2.gz LTTFJQFSTXVKQB-MSOLQXFVSA-N 1 0 384.528 3.600 20 30 GHEDRO C=C(C)Cn1c(N2CCC(C[N@@H+](C)CCCC)CC2)nnc1C(C)(C)CC#N ZINC001122600501 934914773 /nfs/dbraw/zinc/91/47/73/934914773.db2.gz XFFMQJSSPUGPMN-UHFFFAOYSA-N 1 0 386.588 3.994 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(C(C)(C)CC#N)n2Cc2cccs2)CC1 ZINC001123025291 935058977 /nfs/dbraw/zinc/05/89/77/935058977.db2.gz WLKGXNQJRKDINW-UHFFFAOYSA-N 1 0 386.569 3.546 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)c1nnc([C@@H](C)CCC#N)n1CC1CC1 ZINC001123505714 935212895 /nfs/dbraw/zinc/21/28/95/935212895.db2.gz YBGRSKDUAYTNGN-SFHVURJKSA-N 1 0 386.588 3.900 20 30 GHEDRO CC[C@@H]1[N@H+](Cc2ccc(OC)cc2C#N)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001137701322 935731955 /nfs/dbraw/zinc/73/19/55/935731955.db2.gz UPKDFSFJJFQFAR-GMAHTHKFSA-N 1 0 381.520 3.712 20 30 GHEDRO N#Cc1ccc(-n2ccc(NC(=O)C3C[NH+](C4CCCCC4)C3)n2)c(Cl)c1 ZINC001137764549 935778173 /nfs/dbraw/zinc/77/81/73/935778173.db2.gz WEMGAIDDPWFQKP-UHFFFAOYSA-N 1 0 383.883 3.600 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(C)cc1Br)CC2 ZINC001137804809 935799367 /nfs/dbraw/zinc/79/93/67/935799367.db2.gz YDCNFIXXAKSKPL-UHFFFAOYSA-N 1 0 377.326 3.901 20 30 GHEDRO Cc1cccc(C)c1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001137847892 935822649 /nfs/dbraw/zinc/82/26/49/935822649.db2.gz JYTFEYXTRGGHAA-XMMPIXPASA-N 1 0 390.531 3.689 20 30 GHEDRO C=CCCC1(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC001573334134 947446446 /nfs/dbraw/zinc/44/64/46/947446446.db2.gz KGGWCPJFKDKIME-UHFFFAOYSA-N 1 0 380.540 3.952 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)on2)c1 ZINC000468258375 1015515044 /nfs/dbraw/zinc/51/50/44/1015515044.db2.gz DAPYPTWNHQLFCM-UHFFFAOYSA-N 1 0 386.455 3.739 20 30 GHEDRO CC[NH+](CC)CCSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000545125672 1015559841 /nfs/dbraw/zinc/55/98/41/1015559841.db2.gz BKHLTRRQTBQWIE-UHFFFAOYSA-N 1 0 378.501 3.691 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000468985733 1016308921 /nfs/dbraw/zinc/30/89/21/1016308921.db2.gz NTRNBGAQBBMRPS-IBGZPJMESA-N 1 0 388.556 3.710 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1cc(F)cc(Br)c1 ZINC000469079085 1016429080 /nfs/dbraw/zinc/42/90/80/1016429080.db2.gz SQZFBOGRAOCRGL-IAQYHMDHSA-N 1 0 382.277 3.580 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221210643 1032332291 /nfs/dbraw/zinc/33/22/91/1032332291.db2.gz NUAKMGATTDGZFV-HXUWFJFHSA-N 1 0 381.451 3.567 20 30 GHEDRO CC[C@@H](NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1)c1ccc(F)c(F)c1 ZINC001221269491 1032354645 /nfs/dbraw/zinc/35/46/45/1032354645.db2.gz NWTRQACUPBFLJP-IFZYUDKTSA-N 1 0 383.442 3.625 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccnc(OCC)c3Cl)CC2)C1=O ZINC001277213860 1032438656 /nfs/dbraw/zinc/43/86/56/1032438656.db2.gz RCMWUTOTRONPOP-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)CC1 ZINC001221806742 1032540820 /nfs/dbraw/zinc/54/08/20/1032540820.db2.gz NTNQNCYIRQKRJE-QGZVFWFLSA-N 1 0 390.959 3.824 20 30 GHEDRO N#Cc1c(Cl)c2ccccc2nc1-n1c2ccccc2nc1N1CC[NH2+]CC1 ZINC001155589517 1032589330 /nfs/dbraw/zinc/58/93/30/1032589330.db2.gz YFTUUWYMIQVPNX-UHFFFAOYSA-N 1 0 388.862 3.508 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c12 ZINC001155600872 1032594953 /nfs/dbraw/zinc/59/49/53/1032594953.db2.gz GVRKCGQWLJHZPF-RBZFPXEDSA-N 1 0 388.874 3.778 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCC1(O)CCC1 ZINC000926603341 1017291322 /nfs/dbraw/zinc/29/13/22/1017291322.db2.gz DACOBOWAVQHDDE-KRWDZBQOSA-N 1 0 379.545 3.591 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000927287773 1017381759 /nfs/dbraw/zinc/38/17/59/1017381759.db2.gz JUHCXXAIIMPDTM-UHFFFAOYSA-N 1 0 396.535 3.518 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927300870 1017385449 /nfs/dbraw/zinc/38/54/49/1017385449.db2.gz SBGOXRPAJWCZCZ-UHFFFAOYSA-N 1 0 387.572 3.959 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000560468148 1017635139 /nfs/dbraw/zinc/63/51/39/1017635139.db2.gz ZSSNNZZEDXNJCV-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)cc1 ZINC001204299740 1032738399 /nfs/dbraw/zinc/73/83/99/1032738399.db2.gz FPUWYNHNVDFFQD-DNVJHFABSA-N 1 0 380.488 3.847 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)cc1 ZINC001204300043 1032740720 /nfs/dbraw/zinc/74/07/20/1032740720.db2.gz JGKAXZYUONJSHY-UHFFFAOYSA-N 1 0 397.544 3.836 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)cc1 ZINC001204300931 1032742820 /nfs/dbraw/zinc/74/28/20/1032742820.db2.gz XHGISEWYXMQSPF-QFIPXVFZSA-N 1 0 376.500 3.890 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932192787 1018138142 /nfs/dbraw/zinc/13/81/42/1018138142.db2.gz STFADIUTEVABGZ-CQSZACIVSA-N 1 0 386.546 3.773 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000562790843 1018645431 /nfs/dbraw/zinc/64/54/31/1018645431.db2.gz ITLLULSEEZZFKC-KRWDZBQOSA-N 1 0 376.508 3.600 20 30 GHEDRO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562798560 1018654030 /nfs/dbraw/zinc/65/40/30/1018654030.db2.gz RQNVFABOCPWIOZ-TZIWHRDSSA-N 1 0 390.535 3.851 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562847733 1018705105 /nfs/dbraw/zinc/70/51/05/1018705105.db2.gz YSLFZAHVOQJHCQ-DQEVTTJGSA-N 1 0 395.906 3.505 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944662 1018775280 /nfs/dbraw/zinc/77/52/80/1018775280.db2.gz ZWDZVKBGDVSAMI-WOPDTQHZSA-N 1 0 394.350 3.964 20 30 GHEDRO C[N@@H+]1CCC[C@H]1CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949672 1018781255 /nfs/dbraw/zinc/78/12/55/1018781255.db2.gz PUSLRBVRECNSCO-GARJFASQSA-N 1 0 380.323 3.574 20 30 GHEDRO FC1(F)[C@@H]2C[NH+](CCO[C@H]3CCCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932951042 1018781795 /nfs/dbraw/zinc/78/17/95/1018781795.db2.gz TXZDLDPNVPWAOS-MXWKQRLJSA-N 1 0 397.306 3.632 20 30 GHEDRO N#Cc1ccccc1CN1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001204367963 1032809142 /nfs/dbraw/zinc/80/91/42/1032809142.db2.gz GYWMKECWJDYWQY-QGZVFWFLSA-N 1 0 397.276 3.542 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccccc4C#N)C3)C2)c1 ZINC001204370212 1032811273 /nfs/dbraw/zinc/81/12/73/1032811273.db2.gz UHNITRUBMNPTRV-DEOSSOPVSA-N 1 0 386.499 3.549 20 30 GHEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001204371065 1032812725 /nfs/dbraw/zinc/81/27/25/1032812725.db2.gz SNTMFTPKKCAJGH-DHIUTWEWSA-N 1 0 377.488 3.541 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](C(C)(C)C)C3)sc2C1 ZINC000566079498 1019215033 /nfs/dbraw/zinc/21/50/33/1019215033.db2.gz KRXGUFQANSRSLM-KSSFIOAISA-N 1 0 389.565 3.820 20 30 GHEDRO N#C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000571222894 1019669295 /nfs/dbraw/zinc/66/92/95/1019669295.db2.gz MYNZRUIMWRJXIU-MJGOQNOKSA-N 1 0 387.405 3.908 20 30 GHEDRO COc1cc(C(F)(F)NCc2cccc(C[NH+](C)C)c2)c(C#N)c(Cl)n1 ZINC001156047774 1032854855 /nfs/dbraw/zinc/85/48/55/1032854855.db2.gz IAWKOEWAPLWMGS-UHFFFAOYSA-N 1 0 380.826 3.516 20 30 GHEDRO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576668782 1020050305 /nfs/dbraw/zinc/05/03/05/1020050305.db2.gz OVPDKLGDACFTKP-FXAWDEMLSA-N 1 0 397.544 3.820 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000576911768 1020085323 /nfs/dbraw/zinc/08/53/23/1020085323.db2.gz SMQYVELOBOGRAE-ZJSXRUAMSA-N 1 0 393.527 3.839 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000577484593 1020207084 /nfs/dbraw/zinc/20/70/84/1020207084.db2.gz LPYZHQRBJDNYEX-CXAGYDPISA-N 1 0 393.270 3.522 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000578096422 1020324831 /nfs/dbraw/zinc/32/48/31/1020324831.db2.gz IOUAPCJOTMCIRB-DOMZBBRYSA-N 1 0 393.256 3.550 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)n1ccc2cc(N3CC[NH2+]CC3)ccc21 ZINC001156216024 1032925980 /nfs/dbraw/zinc/92/59/80/1032925980.db2.gz YZQQGWVZANMXBI-UHFFFAOYSA-N 1 0 387.821 3.569 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000191773619 1020809973 /nfs/dbraw/zinc/80/99/73/1020809973.db2.gz RPOBFDXINMEDBL-HNNXBMFYSA-N 1 0 395.931 3.916 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000779510462 1020837691 /nfs/dbraw/zinc/83/76/91/1020837691.db2.gz MHELNGCTUGZJLE-NFBKMPQASA-N 1 0 398.551 3.516 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(O)c1 ZINC000779707728 1020923645 /nfs/dbraw/zinc/92/36/45/1020923645.db2.gz QDCLYALJDLZBOY-HUXSYLCKSA-N 1 0 390.487 3.725 20 30 GHEDRO Cc1cc(C)cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001204520045 1032945398 /nfs/dbraw/zinc/94/53/98/1032945398.db2.gz RLUOSYXATODEFC-DEOSSOPVSA-N 1 0 390.531 3.689 20 30 GHEDRO CC(C)(C)c1cc(CC#N)cc(C(C)(C)C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228486277 1032954568 /nfs/dbraw/zinc/95/45/68/1032954568.db2.gz WPQUUBMKKWXMTI-QGZVFWFLSA-N 1 0 389.560 3.710 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000834484004 1021217279 /nfs/dbraw/zinc/21/72/79/1021217279.db2.gz CEVDMAMDTYSERG-FSPWUOQZSA-N 1 0 389.883 3.540 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140399243 1021562882 /nfs/dbraw/zinc/56/28/82/1021562882.db2.gz SPFREMQVFSFMHD-AVRDEDQJSA-N 1 0 383.467 3.609 20 30 GHEDRO C=CCOc1c(Br)cc(CNCc2cc(N)cc[nH+]2)cc1OCC ZINC000903951343 1021661893 /nfs/dbraw/zinc/66/18/93/1021661893.db2.gz WEDUCHDNNRPRTP-UHFFFAOYSA-N 1 0 392.297 3.680 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(C(=O)OC)s3)C2)CC1 ZINC001140517543 1021907868 /nfs/dbraw/zinc/90/78/68/1021907868.db2.gz FTMPLINFOIQXNZ-UHFFFAOYSA-N 1 0 392.521 3.535 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000827228505 1021974157 /nfs/dbraw/zinc/97/41/57/1021974157.db2.gz SZJLFGGQZLPYNQ-FYYLOGMGSA-N 1 0 375.516 3.915 20 30 GHEDRO CC(C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001140616574 1022080633 /nfs/dbraw/zinc/08/06/33/1022080633.db2.gz AHIKFAIQXRHRJK-QFIPXVFZSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140663396 1022202536 /nfs/dbraw/zinc/20/25/36/1022202536.db2.gz CNGLDIOYIXIFKF-UHFFFAOYSA-N 1 0 395.478 3.577 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)ccc1OC ZINC000681754968 1022325022 /nfs/dbraw/zinc/32/50/22/1022325022.db2.gz DZDJXRXDYGLGQJ-QHCPKHFHSA-N 1 0 378.472 3.746 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)CC1 ZINC000754248069 1022558724 /nfs/dbraw/zinc/55/87/24/1022558724.db2.gz PTGDCOKBHCQQQK-UHFFFAOYSA-N 1 0 378.520 3.523 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(Br)cc1C)CC2 ZINC001140815435 1022614225 /nfs/dbraw/zinc/61/42/25/1022614225.db2.gz SQYRTOHUDKCNLA-UHFFFAOYSA-N 1 0 393.325 3.978 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000754409051 1022682874 /nfs/dbraw/zinc/68/28/74/1022682874.db2.gz QKHWCIPTLYKQHL-KRWDZBQOSA-N 1 0 382.426 3.950 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3cccc(C#N)c3Br)cc2)CC1 ZINC001204758840 1033073587 /nfs/dbraw/zinc/07/35/87/1033073587.db2.gz KYGTUICICLQXIS-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000836301925 1022844951 /nfs/dbraw/zinc/84/49/51/1022844951.db2.gz TUODKLRCDXVQHM-VQTJNVASSA-N 1 0 386.540 3.677 20 30 GHEDRO C=CCc1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c(O)c(OC)c1 ZINC000754725943 1022860181 /nfs/dbraw/zinc/86/01/81/1022860181.db2.gz HJNNAVJHSUNNBJ-LJQANCHMSA-N 1 0 384.451 3.506 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)cc1C#N ZINC000836475960 1023006779 /nfs/dbraw/zinc/00/67/79/1023006779.db2.gz DVCFNHRSODPZMX-UHFFFAOYSA-N 1 0 387.484 3.514 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000755055249 1023049778 /nfs/dbraw/zinc/04/97/78/1023049778.db2.gz JWCWCGGMRKBGNQ-ZFWWWQNUSA-N 1 0 394.313 3.667 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075786 1023437723 /nfs/dbraw/zinc/43/77/23/1023437723.db2.gz AHOUXEQCQWSLKZ-LADGPHEKSA-N 1 0 382.548 3.712 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141077732 1023442073 /nfs/dbraw/zinc/44/20/73/1023442073.db2.gz YKCCGAQZMMZRFT-RUZDIDTESA-N 1 0 393.575 3.919 20 30 GHEDRO C[C@]1(c2ccccc2)CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000756024508 1023482731 /nfs/dbraw/zinc/48/27/31/1023482731.db2.gz STTJOYAPEFYDQK-CYFREDJKSA-N 1 0 382.467 3.887 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3sc(N)c(C#N)c3Cl)C2)C1 ZINC001141107163 1023515647 /nfs/dbraw/zinc/51/56/47/1023515647.db2.gz RLXGDPKQUCVKLU-GOSISDBHSA-N 1 0 396.944 3.688 20 30 GHEDRO N#Cc1c(N)sc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)c1Cl ZINC001141111820 1023526841 /nfs/dbraw/zinc/52/68/41/1023526841.db2.gz DPAZSEJQNWCLTL-UHFFFAOYSA-N 1 0 386.908 3.731 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc2c(cc1O)CCCC2 ZINC000756536669 1023703492 /nfs/dbraw/zinc/70/34/92/1023703492.db2.gz SJNAFAMRNZCZCI-MRXNPFEDSA-N 1 0 376.504 3.857 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000756868109 1023840973 /nfs/dbraw/zinc/84/09/73/1023840973.db2.gz UBOQUSVBOUZIRE-DHIUTWEWSA-N 1 0 391.515 3.896 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C(F)(F)c1c(F)cccc1F ZINC000756949992 1023881195 /nfs/dbraw/zinc/88/11/95/1023881195.db2.gz JVTMYQFQVOPHLJ-UHFFFAOYSA-N 1 0 393.384 3.519 20 30 GHEDRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)C1=O ZINC001141165060 1023993382 /nfs/dbraw/zinc/99/33/82/1023993382.db2.gz SGMRMWNWQSCIRO-QHCPKHFHSA-N 1 0 377.463 3.844 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)ccc1F ZINC000831221095 1024430504 /nfs/dbraw/zinc/43/05/04/1024430504.db2.gz TTZMCWYNIZMGHV-SFHVURJKSA-N 1 0 381.451 3.530 20 30 GHEDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141297769 1024441933 /nfs/dbraw/zinc/44/19/33/1024441933.db2.gz AAGGYCWNUPTXFP-LJQANCHMSA-N 1 0 378.476 3.586 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3c(cc1Cl)OCO3)C2 ZINC001138240933 1024446650 /nfs/dbraw/zinc/44/66/50/1024446650.db2.gz LGTBTOAEKYNTOO-WOJBJXKFSA-N 1 0 379.884 3.642 20 30 GHEDRO C[NH+](C)C1(C)CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC001205020278 1033214685 /nfs/dbraw/zinc/21/46/85/1033214685.db2.gz OLJNHKUCIJJALF-UHFFFAOYSA-N 1 0 379.302 3.705 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC001205019918 1033215034 /nfs/dbraw/zinc/21/50/34/1033215034.db2.gz JIRYVMIQDGFIFF-UHFFFAOYSA-N 1 0 399.292 3.669 20 30 GHEDRO COC(=O)c1ccc2c(C[N@@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)c[nH]c2c1 ZINC001138267650 1024507101 /nfs/dbraw/zinc/50/71/01/1024507101.db2.gz VVWVUQYRBZWGSM-LJQANCHMSA-N 1 0 389.455 3.870 20 30 GHEDRO C#CCOc1ccc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC001138345103 1024706209 /nfs/dbraw/zinc/70/62/09/1024706209.db2.gz IWYCEBDRRFITSX-UHFFFAOYSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(Oc3ccccc3OC)CC2)cc1OC ZINC001138347809 1024709884 /nfs/dbraw/zinc/70/98/84/1024709884.db2.gz FEJMCGPUEKCYSF-UHFFFAOYSA-N 1 0 381.472 3.759 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1OC ZINC001138348427 1024710737 /nfs/dbraw/zinc/71/07/37/1024710737.db2.gz JIEKFSJRJQXNEW-UHFFFAOYSA-N 1 0 377.484 3.771 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)cc1OC ZINC001138349303 1024711710 /nfs/dbraw/zinc/71/17/10/1024711710.db2.gz VRMTUFRERYMFSA-UHFFFAOYSA-N 1 0 377.484 3.830 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 ZINC001205105010 1033253198 /nfs/dbraw/zinc/25/31/98/1033253198.db2.gz VZNIZAFSYQFGSE-QGZVFWFLSA-N 1 0 394.523 3.505 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)cc1 ZINC001138556357 1025015601 /nfs/dbraw/zinc/01/56/01/1025015601.db2.gz QWWANTGMPRKWHZ-BGYRXZFFSA-N 1 0 384.520 3.778 20 30 GHEDRO CC(C)(C)OC(=O)C1(Nc2nc3c(cc2C#N)CCCC3(C)C)CCC([NH3+])CC1 ZINC001156803234 1033251564 /nfs/dbraw/zinc/25/15/64/1033251564.db2.gz LEZMZXZADSQUDV-UHFFFAOYSA-N 1 0 398.551 3.961 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000831993114 1025099203 /nfs/dbraw/zinc/09/92/03/1025099203.db2.gz PMURCJXWYDOVQP-LJQANCHMSA-N 1 0 384.524 3.811 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1O ZINC001138626898 1025125943 /nfs/dbraw/zinc/12/59/43/1025125943.db2.gz SCBPIBMCRIVGHD-URXFXBBRSA-N 1 0 394.515 3.966 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)c1O ZINC001138627582 1025128288 /nfs/dbraw/zinc/12/82/88/1025128288.db2.gz MLFNQFYFXGLXIZ-CQOQZXRMSA-N 1 0 394.515 3.712 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1O ZINC001138628720 1025129977 /nfs/dbraw/zinc/12/99/77/1025129977.db2.gz ZAOGHCJOEPJLJS-JTHBVZDNSA-N 1 0 380.488 3.718 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1O ZINC001138628763 1025130555 /nfs/dbraw/zinc/13/05/55/1025130555.db2.gz ZXRBUXBLOCZNAK-HSZRJFAPSA-N 1 0 380.463 3.889 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)c1O ZINC001138630295 1025132967 /nfs/dbraw/zinc/13/29/67/1025132967.db2.gz VLYZBSOVBFFJOH-LJQANCHMSA-N 1 0 385.529 3.904 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)C1 ZINC001138647106 1025157014 /nfs/dbraw/zinc/15/70/14/1025157014.db2.gz OOISWJKMZORGGN-JOCHJYFZSA-N 1 0 398.482 3.622 20 30 GHEDRO C=C(C)COc1ccccc1CN1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001138660805 1025179595 /nfs/dbraw/zinc/17/95/95/1025179595.db2.gz DIBKTQTUWUTKMG-GOTSBHOMSA-N 1 0 393.531 3.512 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC001138662292 1025182574 /nfs/dbraw/zinc/18/25/74/1025182574.db2.gz SLZVBPGJAPNREQ-HXUWFJFHSA-N 1 0 381.520 3.914 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001138663646 1025185746 /nfs/dbraw/zinc/18/57/46/1025185746.db2.gz BHBHHLQLNCCSQM-NRFANRHFSA-N 1 0 391.515 3.675 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001138666435 1025188673 /nfs/dbraw/zinc/18/86/73/1025188673.db2.gz SDBGXCFLALZDBE-UHFFFAOYSA-N 1 0 396.531 3.989 20 30 GHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832243381 1025368143 /nfs/dbraw/zinc/36/81/43/1025368143.db2.gz POSVNDPJVOGZJO-UHFFFAOYSA-N 1 0 399.535 3.593 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnc(N(CC)CC)s1)C2 ZINC001138801110 1025386344 /nfs/dbraw/zinc/38/63/44/1025386344.db2.gz LUVDLVABSXUVLB-AZUAARDMSA-N 1 0 379.570 3.563 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)n3ccc(C[NH3+])cc3=N)cnc2Cl)c1 ZINC001156855590 1033281017 /nfs/dbraw/zinc/28/10/17/1033281017.db2.gz FGNRYKCXSSFBNK-UHFFFAOYSA-N 1 0 385.805 3.611 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001138828837 1025437225 /nfs/dbraw/zinc/43/72/25/1025437225.db2.gz BAOSDOYVQVWDGG-FQEVSTJZSA-N 1 0 383.442 3.867 20 30 GHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161989491 1025522994 /nfs/dbraw/zinc/52/29/94/1025522994.db2.gz ABOPYMFARNMQHA-UHFFFAOYSA-N 1 0 379.266 3.940 20 30 GHEDRO N#Cc1cc(NCC2(c3cccnc3)CC[NH2+]CC2)nc2ccc(Cl)cc12 ZINC001162039627 1025556544 /nfs/dbraw/zinc/55/65/44/1025556544.db2.gz IACMWCICIXPAIW-UHFFFAOYSA-N 1 0 377.879 3.888 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001162227214 1025678628 /nfs/dbraw/zinc/67/86/28/1025678628.db2.gz MFBUNVMUMFUVRG-UHFFFAOYSA-N 1 0 379.414 3.975 20 30 GHEDRO Cc1cc(NC2(C#N)CC[NH+](C)CC2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001162230773 1025682142 /nfs/dbraw/zinc/68/21/42/1025682142.db2.gz DRIQKJVHLSRUJK-UHFFFAOYSA-N 1 0 383.499 3.941 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CCCC3)[C@@H]2C1 ZINC001139028187 1025793577 /nfs/dbraw/zinc/79/35/77/1025793577.db2.gz PAWIFOMWYCFIOO-FUPPJEDESA-N 1 0 398.547 3.537 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-n3cncc3-c3cccc(C[NH3+])c3)nn2)cc1 ZINC001162561953 1025796835 /nfs/dbraw/zinc/79/68/35/1025796835.db2.gz IJIIFNHOMIZTKC-FQEVSTJZSA-N 1 0 380.455 3.752 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001139032049 1025801953 /nfs/dbraw/zinc/80/19/53/1025801953.db2.gz HWTALWRXELZIQO-UHFFFAOYSA-N 1 0 399.560 3.827 20 30 GHEDRO CSc1nc(NC[C@]2(F)CCCC[NH2+]C2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001162573834 1025802659 /nfs/dbraw/zinc/80/26/59/1025802659.db2.gz UQFGDULCAYCEEM-FQEVSTJZSA-N 1 0 385.512 3.939 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC001139074952 1025881478 /nfs/dbraw/zinc/88/14/78/1025881478.db2.gz PDAZSTWHLTZUGA-HXUWFJFHSA-N 1 0 376.884 3.602 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC001139079740 1025893140 /nfs/dbraw/zinc/89/31/40/1025893140.db2.gz ZDQUHSBTXYTVRZ-QHCPKHFHSA-N 1 0 392.503 3.802 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cn(C)c3ccc(OC)cc13)C2 ZINC001139146427 1025959132 /nfs/dbraw/zinc/95/91/32/1025959132.db2.gz KMFFCWIDCOBDGQ-DHIUTWEWSA-N 1 0 384.520 3.761 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000839471881 1025963321 /nfs/dbraw/zinc/96/33/21/1025963321.db2.gz YWAMGCXYMDUGNE-FQEVSTJZSA-N 1 0 393.531 3.581 20 30 GHEDRO N#Cc1c(Cl)cc(Br)cc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162964971 1025989815 /nfs/dbraw/zinc/98/98/15/1025989815.db2.gz DFKZMUQNWMRSNQ-CYBMUJFWSA-N 1 0 398.732 3.935 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(Nc3ccc([C@H](C[NH3+])CO)cc3)c12 ZINC001163058544 1026030160 /nfs/dbraw/zinc/03/01/60/1026030160.db2.gz LUFRBBZWONFQGL-CYBMUJFWSA-N 1 0 384.842 3.986 20 30 GHEDRO CC[NH+]1CCN(c2cccc(Nc3ncc(Br)cc3C#N)c2)CC1 ZINC001163112474 1026048913 /nfs/dbraw/zinc/04/89/13/1026048913.db2.gz IGQMJBAELGHCSJ-UHFFFAOYSA-N 1 0 386.297 3.601 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001141654680 1026090813 /nfs/dbraw/zinc/09/08/13/1026090813.db2.gz GNECQBNLTWTMGG-CQSZACIVSA-N 1 0 377.204 3.600 20 30 GHEDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cccc(N=C(c3ccccc3)c3ccccc3)c2)N1 ZINC001163255393 1026106682 /nfs/dbraw/zinc/10/66/82/1026106682.db2.gz VHSYBHPDGPLJNX-DHLKQENFSA-N 1 0 396.494 3.846 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC001163275362 1026119298 /nfs/dbraw/zinc/11/92/98/1026119298.db2.gz BDQMVCWVIHVJNL-KRWDZBQOSA-N 1 0 391.862 3.920 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N3CCCCC3)nc1)[C@H]2CC ZINC001139340176 1026202079 /nfs/dbraw/zinc/20/20/79/1026202079.db2.gz GRVFTCMWKTZQKE-URXFXBBRSA-N 1 0 396.579 3.994 20 30 GHEDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nc(-c3ccc(F)cc3)ccc2C#N)cc1 ZINC001163461698 1026202448 /nfs/dbraw/zinc/20/24/48/1026202448.db2.gz HZCLGWYHIWUANC-IBGZPJMESA-N 1 0 390.418 3.658 20 30 GHEDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nc3ccccc3c(Cl)c2C#N)cc1 ZINC001163465079 1026204261 /nfs/dbraw/zinc/20/42/61/1026204261.db2.gz CYORKKLZSBKORN-INIZCTEOSA-N 1 0 380.835 3.658 20 30 GHEDRO COc1cc2nc(Cl)nc(NC(C)=NCc3cccc(C[NH3+])c3)c2cc1OC ZINC001163465879 1026204403 /nfs/dbraw/zinc/20/44/03/1026204403.db2.gz HSBBBFCOJKQATJ-UHFFFAOYSA-N 1 0 399.882 3.790 20 30 GHEDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nc3ccc(C)cc3c(Cl)c2C#N)cc1 ZINC001163465574 1026204644 /nfs/dbraw/zinc/20/46/44/1026204644.db2.gz GTWPJAHEVLLWJN-KRWDZBQOSA-N 1 0 394.862 3.967 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)c1ccccc1 ZINC001163652036 1026267063 /nfs/dbraw/zinc/26/70/63/1026267063.db2.gz ISEIVBFNYQKWOD-GOTSBHOMSA-N 1 0 390.531 3.678 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001139401978 1026272848 /nfs/dbraw/zinc/27/28/48/1026272848.db2.gz JWHKYYXURLQWIS-KUHUBIRLSA-N 1 0 375.394 3.755 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC3)cc2)c1 ZINC001139403657 1026275882 /nfs/dbraw/zinc/27/58/82/1026275882.db2.gz BCVUKBUDNIPRAT-GOTSBHOMSA-N 1 0 386.499 3.596 20 30 GHEDRO COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)n1 ZINC001139406390 1026278977 /nfs/dbraw/zinc/27/89/77/1026278977.db2.gz QUIAXSUBYFFFGD-FQEVSTJZSA-N 1 0 386.455 3.677 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCCCC4)C3)cc2)c1 ZINC001139407228 1026280355 /nfs/dbraw/zinc/28/03/55/1026280355.db2.gz VJLNEPJTRLCBLO-QFIPXVFZSA-N 1 0 388.515 3.845 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3-n3cncn3)CC2)cc1Cl ZINC001139422279 1026292306 /nfs/dbraw/zinc/29/23/06/1026292306.db2.gz YYPOQVMFGJDDEW-UHFFFAOYSA-N 1 0 393.878 3.836 20 30 GHEDRO Cc1cc(F)c(C#N)c(N2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC001163787455 1026315971 /nfs/dbraw/zinc/31/59/71/1026315971.db2.gz DQDZMUUYDVCABK-LJQANCHMSA-N 1 0 382.483 3.899 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001163974111 1026375067 /nfs/dbraw/zinc/37/50/67/1026375067.db2.gz FLJAVVSLKSHEIF-UHFFFAOYSA-N 1 0 381.480 3.819 20 30 GHEDRO N#CCCN(Cc1cccnc1)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164007502 1026384583 /nfs/dbraw/zinc/38/45/83/1026384583.db2.gz YNSOYQMQFBEDCQ-UHFFFAOYSA-N 1 0 383.499 3.955 20 30 GHEDRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cc(C#N)ccc4F)C3)C2=O)c1 ZINC001139647007 1026508346 /nfs/dbraw/zinc/50/83/46/1026508346.db2.gz BTIAJKLLXAWDED-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001139648837 1026510455 /nfs/dbraw/zinc/51/04/55/1026510455.db2.gz DDQMOSNGCXPUGI-QHCPKHFHSA-N 1 0 395.453 3.851 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H]21 ZINC001139649040 1026510674 /nfs/dbraw/zinc/51/06/74/1026510674.db2.gz KYMHDMBXGJHJRL-AVCGJXAMSA-N 1 0 378.495 3.825 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Cl)cc1OC(F)(F)F ZINC001276401017 1026527333 /nfs/dbraw/zinc/52/73/33/1026527333.db2.gz JBEPCQCVRZYWLZ-HUUCEWRRSA-N 1 0 388.817 3.990 20 30 GHEDRO CCc1nc(C#N)c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164486476 1026527611 /nfs/dbraw/zinc/52/76/11/1026527611.db2.gz OLGINNQFYCSVHR-LZLYRXPVSA-N 1 0 381.911 3.887 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3cccc(Cl)c3C#N)C[C@@H]12 ZINC001139689720 1026541449 /nfs/dbraw/zinc/54/14/49/1026541449.db2.gz TYIJAPBGYBVOSO-DHIUTWEWSA-N 1 0 393.918 3.976 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139704090 1026548687 /nfs/dbraw/zinc/54/86/87/1026548687.db2.gz RYGZHAQMOONVOV-QFBILLFUSA-N 1 0 380.492 3.871 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3c[nH]c4c3cccc4C#N)C2)CC1 ZINC001139704698 1026548878 /nfs/dbraw/zinc/54/88/78/1026548878.db2.gz XDACDEALSSQEMN-UHFFFAOYSA-N 1 0 380.492 3.872 20 30 GHEDRO Cc1nc(CN2CCC3(C[NH+](Cc4c[nH]c5c4cccc5C#N)C3)C2)cs1 ZINC001139705254 1026549746 /nfs/dbraw/zinc/54/97/46/1026549746.db2.gz NXTPUFFVGRCLIG-UHFFFAOYSA-N 1 0 377.517 3.512 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cnc4cccnc4c3)CC2)C1 ZINC001139739395 1026581341 /nfs/dbraw/zinc/58/13/41/1026581341.db2.gz BNXLXKGXBAQGAI-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO C=CCn1cc(C[N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCC3(F)F)cn1 ZINC001139768649 1026604554 /nfs/dbraw/zinc/60/45/54/1026604554.db2.gz SGGDJRQRRRFDHZ-IBGZPJMESA-N 1 0 396.482 3.537 20 30 GHEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cccc(OCCN2CCOCC2)c1 ZINC001139767570 1026604738 /nfs/dbraw/zinc/60/47/38/1026604738.db2.gz WKALKDBGXZCPQG-UHFFFAOYSA-N 1 0 380.532 3.976 20 30 GHEDRO Cc1cc(N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C#N)n1 ZINC001165141781 1026631922 /nfs/dbraw/zinc/63/19/22/1026631922.db2.gz XFTJTJYGKDNEER-JOCHJYFZSA-N 1 0 383.499 3.938 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001139869473 1026682810 /nfs/dbraw/zinc/68/28/10/1026682810.db2.gz IRDPMCBKGPCVNR-IBGZPJMESA-N 1 0 378.516 3.987 20 30 GHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165268230 1026686486 /nfs/dbraw/zinc/68/64/86/1026686486.db2.gz SCPWMJRQOUSYNW-ZDUSSCGKSA-N 1 0 379.213 3.771 20 30 GHEDRO COCC[N@H+](Cc1cc(F)cc(C#N)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139878582 1026694855 /nfs/dbraw/zinc/69/48/55/1026694855.db2.gz OVCUCUAASCPAKP-LJQANCHMSA-N 1 0 391.487 3.545 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001165417819 1026722220 /nfs/dbraw/zinc/72/22/20/1026722220.db2.gz JHFNXFPVIFUOKY-GGAORHGYSA-N 1 0 375.592 3.894 20 30 GHEDRO N#Cc1cnc(Cl)cc1N(c1cccc(F)c1)[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001165476887 1026738516 /nfs/dbraw/zinc/73/85/16/1026738516.db2.gz CFNKACPBLHQLJT-XLIONFOSSA-N 1 0 386.858 3.795 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001140016466 1026798041 /nfs/dbraw/zinc/79/80/41/1026798041.db2.gz LCVTUSLTEIPKKC-HSZRJFAPSA-N 1 0 392.503 3.754 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccccc1-n1ccnc1C)C2 ZINC001140020941 1026805003 /nfs/dbraw/zinc/80/50/03/1026805003.db2.gz FAINKPKHQARZJW-QHCPKHFHSA-N 1 0 378.520 3.714 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203000133 1026861177 /nfs/dbraw/zinc/86/11/77/1026861177.db2.gz IGUYNKCPJSQDIQ-UHFFFAOYSA-N 1 0 386.540 3.751 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]21 ZINC001140114491 1026897543 /nfs/dbraw/zinc/89/75/43/1026897543.db2.gz RKOLRBFDWOUDKA-FUDKSRODSA-N 1 0 399.498 3.581 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(F)c1 ZINC001140136767 1026910742 /nfs/dbraw/zinc/91/07/42/1026910742.db2.gz NAUVSDGRVUPRIW-UPVQGACJSA-N 1 0 397.538 3.658 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)c(F)c1 ZINC001140138188 1026912286 /nfs/dbraw/zinc/91/22/86/1026912286.db2.gz HKTRYPVCTBQTFJ-UHFFFAOYSA-N 1 0 389.474 3.988 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140140026 1026913982 /nfs/dbraw/zinc/91/39/82/1026913982.db2.gz RRECGZWHMDIBQL-SFHVURJKSA-N 1 0 391.487 3.545 20 30 GHEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC2CC[NH+](C(C)C)CC2)n1 ZINC001166615818 1027040993 /nfs/dbraw/zinc/04/09/93/1027040993.db2.gz MLEQHIYXVWDSOK-OGYQGKGRSA-N 1 0 378.586 3.803 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)c2ccc(Br)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001141775098 1027210331 /nfs/dbraw/zinc/21/03/31/1027210331.db2.gz IWOAYWTYIIMNAO-LIRRHRJNSA-N 1 0 398.304 3.714 20 30 GHEDRO C[NH+]1CCN(CCNc2ccc(Nc3c(C#N)ccc4ccccc43)cn2)CC1 ZINC001209815484 1027211360 /nfs/dbraw/zinc/21/13/60/1027211360.db2.gz CHAIZFWTSYAVGT-UHFFFAOYSA-N 1 0 386.503 3.509 20 30 GHEDRO N#Cc1cc(Nc2ccnc3ccc(I)cc32)ccc1O ZINC001210531270 1027546529 /nfs/dbraw/zinc/54/65/29/1027546529.db2.gz VRJZOJANHGRFHD-UHFFFAOYSA-N 1 0 387.180 3.582 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1c(C)cc(CO)cc1C ZINC001203741167 1027563762 /nfs/dbraw/zinc/56/37/62/1027563762.db2.gz RZCFCMYUOWGUHO-UHFFFAOYSA-N 1 0 388.305 3.860 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)c1 ZINC001203762441 1027583404 /nfs/dbraw/zinc/58/34/04/1027583404.db2.gz QYOXTYIGQRAZPG-HXUWFJFHSA-N 1 0 386.421 3.830 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cc(Br)ccc2C#N)C1 ZINC001141902797 1027627807 /nfs/dbraw/zinc/62/78/07/1027627807.db2.gz DYJYVCOPDJCMPY-CYBMUJFWSA-N 1 0 394.313 3.667 20 30 GHEDRO CSc1nc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC001141943635 1027722164 /nfs/dbraw/zinc/72/21/64/1027722164.db2.gz DBRYLZZBFJSHMX-VQTJNVASSA-N 1 0 378.545 3.629 20 30 GHEDRO CC[N@@H+](Cc1ccc(C#N)c(SC)n1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141945793 1027725813 /nfs/dbraw/zinc/72/58/13/1027725813.db2.gz MYCBZOMWHZUWNK-OAHLLOKOSA-N 1 0 390.553 3.754 20 30 GHEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972311 1027780860 /nfs/dbraw/zinc/78/08/60/1027780860.db2.gz GMMYFMNXGSSJHE-FQEVSTJZSA-N 1 0 390.556 3.538 20 30 GHEDRO Fc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C2)nc1 ZINC001141978000 1027794636 /nfs/dbraw/zinc/79/46/36/1027794636.db2.gz WLMBTZHQNDNOPQ-GOSISDBHSA-N 1 0 379.460 3.730 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cccc(C(F)(F)F)n1)C(C)C ZINC001211223533 1027843520 /nfs/dbraw/zinc/84/35/20/1027843520.db2.gz WNPFQKUVMLLLKN-MRXNPFEDSA-N 1 0 384.446 3.598 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccc(Br)cc1 ZINC001211287595 1027892003 /nfs/dbraw/zinc/89/20/03/1027892003.db2.gz WJJJLTCSKOIPIQ-MPGHIAIKSA-N 1 0 392.341 3.543 20 30 GHEDRO CC(C)(C)c1cc(Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)cc[nH+]1 ZINC001213164051 1028023971 /nfs/dbraw/zinc/02/39/71/1028023971.db2.gz GVTYXEKXMDUUKI-UHFFFAOYSA-N 1 0 395.488 3.584 20 30 GHEDRO COC[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000841762996 1028920475 /nfs/dbraw/zinc/92/04/75/1028920475.db2.gz SSFIYBGHUMACTQ-QUCCMNQESA-N 1 0 387.524 3.845 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)CC1 ZINC000841769071 1028927582 /nfs/dbraw/zinc/92/75/82/1028927582.db2.gz JDAZODQUHJNJAP-UHFFFAOYSA-N 1 0 384.446 3.933 20 30 GHEDRO C#CCCCCNC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001214895424 1028956805 /nfs/dbraw/zinc/95/68/05/1028956805.db2.gz FLWGUMUZBWWBDP-UHFFFAOYSA-N 1 0 376.932 3.797 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000841865858 1028981993 /nfs/dbraw/zinc/98/19/93/1028981993.db2.gz WNGZIZIXOBEBDG-HJNYFJLDSA-N 1 0 379.479 3.583 20 30 GHEDRO NC(=[NH+]OCc1ccnc(Br)c1)c1ccc(N2CCCCC2)cc1 ZINC000842033184 1029035254 /nfs/dbraw/zinc/03/52/54/1029035254.db2.gz PDCGRWCODCOWJH-UHFFFAOYSA-N 1 0 389.297 3.672 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C(C)C ZINC001215100660 1029039493 /nfs/dbraw/zinc/03/94/93/1029039493.db2.gz ARIVAUNXASNYIS-FQEVSTJZSA-N 1 0 384.524 3.671 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ncc(C(F)(F)F)cc3Cl)C2)C1=O ZINC001142543624 1029040576 /nfs/dbraw/zinc/04/05/76/1029040576.db2.gz WZPADDOGQCWWOR-KRWDZBQOSA-N 1 0 387.833 3.754 20 30 GHEDRO N#CCCn1cc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)c(-c2ccccc2)n1 ZINC000181989024 1029089197 /nfs/dbraw/zinc/08/91/97/1029089197.db2.gz OLOXTBZFGFVBQY-JOCHJYFZSA-N 1 0 377.536 3.818 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001215509218 1029245293 /nfs/dbraw/zinc/24/52/93/1029245293.db2.gz ZLYLPADPVFIVSD-SFHVURJKSA-N 1 0 395.478 3.824 20 30 GHEDRO N#Cc1cnn(C2CCOCC2)c1Nc1cccc(C[NH+]2CCCCC2)c1F ZINC001215675972 1029342152 /nfs/dbraw/zinc/34/21/52/1029342152.db2.gz YRAZGMXFPRSTRE-UHFFFAOYSA-N 1 0 383.471 3.975 20 30 GHEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1C ZINC000842705713 1029516655 /nfs/dbraw/zinc/51/66/55/1029516655.db2.gz VSBBSKUSXLVILV-MRXNPFEDSA-N 1 0 398.617 3.608 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3cccc(-c4ccccn4)c3)C2)CC1 ZINC001142828560 1029541427 /nfs/dbraw/zinc/54/14/27/1029541427.db2.gz FHBXHUQNXCFNDS-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=O)C#Cc2ccccc2)cc1 ZINC001142859171 1029595499 /nfs/dbraw/zinc/59/54/99/1029595499.db2.gz QWEVTZYQMUDNKF-QFIPXVFZSA-N 1 0 376.500 3.560 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001221986506 1029918086 /nfs/dbraw/zinc/91/80/86/1029918086.db2.gz HBQJBDKZEQFVGQ-FQEVSTJZSA-N 1 0 393.531 3.915 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)cnc12 ZINC000843397610 1029969615 /nfs/dbraw/zinc/96/96/15/1029969615.db2.gz YYSVVJBVRBCBQP-ROUUACIJSA-N 1 0 381.505 3.531 20 30 GHEDRO N#Cc1ccc(-c2noc(-c3ccccc3N3CC[NH2+]CC3)n2)c2ccccc12 ZINC001216944584 1030018093 /nfs/dbraw/zinc/01/80/93/1030018093.db2.gz XDQAGKJHMXVOAA-UHFFFAOYSA-N 1 0 381.439 3.838 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001222427059 1030122660 /nfs/dbraw/zinc/12/26/60/1030122660.db2.gz SGJQNUUQHYYZDX-UHFFFAOYSA-N 1 0 395.469 3.772 20 30 GHEDRO N#Cc1ccc(CC[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC001461632466 1069649927 /nfs/dbraw/zinc/64/99/27/1069649927.db2.gz PAUBKMZGHVBHQF-UHFFFAOYSA-N 1 0 395.098 3.811 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCCC1(C)C ZINC001222661513 1030266706 /nfs/dbraw/zinc/26/67/06/1030266706.db2.gz WPEQAOWZKPMLRV-QFIPXVFZSA-N 1 0 398.595 3.710 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1C#N ZINC001217511273 1030452917 /nfs/dbraw/zinc/45/29/17/1030452917.db2.gz CFBRYJUNVVVIBY-OAHLLOKOSA-N 1 0 389.550 3.979 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2onc(-c3csc(C)n3)c2c1 ZINC001150310946 1030483241 /nfs/dbraw/zinc/48/32/41/1030483241.db2.gz PCEXQEPQTDYCGT-HNNXBMFYSA-N 1 0 382.489 3.640 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2CCC[NH2+]C[C@H]2F)c(Br)c1 ZINC001217944629 1030679358 /nfs/dbraw/zinc/67/93/58/1030679358.db2.gz IZFQPHNLTOTBBC-VXGBXAGGSA-N 1 0 392.066 3.552 20 30 GHEDRO COc1cc(O[C@H]2CCC[NH2+]C[C@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001217951829 1030684075 /nfs/dbraw/zinc/68/40/75/1030684075.db2.gz UYKGYXDDQNMJMX-YXYXXQBPSA-N 1 0 385.435 3.766 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217951200 1030684211 /nfs/dbraw/zinc/68/42/11/1030684211.db2.gz TZWRTLCKTBHNBR-WOJBJXKFSA-N 1 0 397.446 3.868 20 30 GHEDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(Br)cc(C#N)cc1Br ZINC001217985098 1030706114 /nfs/dbraw/zinc/70/61/14/1030706114.db2.gz DJGSAAWUCXAZMY-ZANVPECISA-N 1 0 388.103 3.850 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CC[NH2+]C[C@H]2F)c1 ZINC001218072544 1030756435 /nfs/dbraw/zinc/75/64/35/1030756435.db2.gz XBAPTBAVOCAFDN-GXLYXMFMSA-N 1 0 385.435 3.679 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1OC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218084424 1030762593 /nfs/dbraw/zinc/76/25/93/1030762593.db2.gz WSQBQLQZRANTMU-YRISNDGFSA-N 1 0 384.520 3.654 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@H]3CSC4(C[NH2+]C4)C3)c2C1=O ZINC001218100606 1030773006 /nfs/dbraw/zinc/77/30/06/1030773006.db2.gz UIWYRPMDEKVVBG-OAHLLOKOSA-N 1 0 399.512 3.670 20 30 GHEDRO COc1cc(O)cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218117036 1030782040 /nfs/dbraw/zinc/78/20/40/1030782040.db2.gz BHWWVAXHTBENMC-LCNJIBRGSA-N 1 0 395.455 3.523 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001151241538 1030821281 /nfs/dbraw/zinc/82/12/81/1030821281.db2.gz DOWATBVYICUOQL-IBGZPJMESA-N 1 0 391.298 3.795 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001218202426 1030826768 /nfs/dbraw/zinc/82/67/68/1030826768.db2.gz LNYWXOOXBBYKEY-APPDUMDISA-N 1 0 376.243 3.736 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1nc2ncc(Br)cc2n1C1CCCC1 ZINC001218204424 1030828026 /nfs/dbraw/zinc/82/80/26/1030828026.db2.gz PWCGJQFKOZRQJW-OAHLLOKOSA-N 1 0 377.286 3.606 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC001218207028 1030828651 /nfs/dbraw/zinc/82/86/51/1030828651.db2.gz GFFZIYHBPRRSJF-GOSISDBHSA-N 1 0 387.277 3.998 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1 ZINC001218206463 1030829304 /nfs/dbraw/zinc/82/93/04/1030829304.db2.gz BXIQSYWEVBWRIT-ISGGHPHESA-N 1 0 379.456 3.897 20 30 GHEDRO N#Cc1cc(Br)c(O[C@H]2CCC3(C[NH2+]C3)C2)c(Br)c1 ZINC001218235105 1030842852 /nfs/dbraw/zinc/84/28/52/1030842852.db2.gz MYBFAJOVYROZTK-JTQLQIEISA-N 1 0 386.087 3.604 20 30 GHEDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001218314274 1030887204 /nfs/dbraw/zinc/88/72/04/1030887204.db2.gz HJWDENLXNLSNLF-QRQWUNEMSA-N 1 0 379.504 3.697 20 30 GHEDRO CCCCCCCCC[C@@H](C)Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c1=O ZINC001218355645 1030908248 /nfs/dbraw/zinc/90/82/48/1030908248.db2.gz TYMWQNZEBFSABF-OAHLLOKOSA-N 1 0 395.544 3.669 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001224167945 1030908600 /nfs/dbraw/zinc/90/86/00/1030908600.db2.gz DBKJIZMMJVJQKL-UEVCKROQSA-N 1 0 390.483 3.772 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224170641 1030910384 /nfs/dbraw/zinc/91/03/84/1030910384.db2.gz OHEBSZSWYBWTEA-IBGZPJMESA-N 1 0 384.863 3.789 20 30 GHEDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc(-c2ccc(C#N)cc2)cc1I ZINC001218383400 1030914022 /nfs/dbraw/zinc/91/40/22/1030914022.db2.gz OEMJROGETRLGTE-PIGZYNQJSA-N 1 0 390.224 3.569 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218460201 1030946397 /nfs/dbraw/zinc/94/63/97/1030946397.db2.gz KLQBMGGZANFIKQ-PSLYDFKZSA-N 1 0 391.515 3.697 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218460199 1030946752 /nfs/dbraw/zinc/94/67/52/1030946752.db2.gz KLQBMGGZANFIKQ-ATYQUWGVSA-N 1 0 391.515 3.697 20 30 GHEDRO O=C1c2c(O)ccc(O[C@H]3C[NH2+]Cc4ccccc43)c2C(=O)C(Cl)=C1Cl ZINC001218485629 1030958006 /nfs/dbraw/zinc/95/80/06/1030958006.db2.gz AAJLHHOUGSFFRQ-ZDUSSCGKSA-N 1 0 390.222 3.684 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001218559570 1030986722 /nfs/dbraw/zinc/98/67/22/1030986722.db2.gz TYWNQOLPHSTMNQ-UHFFFAOYSA-N 1 0 382.483 3.805 20 30 GHEDRO C[NH2+][C@@H](C)C(=O)Nc1c(C#N)c(-c2cccc3ccccc32)nn1C(C)(C)C ZINC001218706038 1031042594 /nfs/dbraw/zinc/04/25/94/1031042594.db2.gz MTHHCWXDDCLGBD-AWEZNQCLSA-N 1 0 375.476 3.876 20 30 GHEDRO Cc1coc(NC(=O)C[C@@H]([NH3+])Cc2ccc(OCc3ccccc3)cc2)c1C#N ZINC001218764348 1031072385 /nfs/dbraw/zinc/07/23/85/1031072385.db2.gz KNUUDKFFQOOTGV-IBGZPJMESA-N 1 0 389.455 3.937 20 30 GHEDRO CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)c1 ZINC001218963455 1031180939 /nfs/dbraw/zinc/18/09/39/1031180939.db2.gz SZWRNMJSYFNYPC-QRWLVFNGSA-N 1 0 377.488 3.721 20 30 GHEDRO Cn1cc(C[C@H]([NH3+])C(=O)Nc2cccc(C#C[Si](C)(C)C)c2)c2ccccc21 ZINC001219311197 1031350727 /nfs/dbraw/zinc/35/07/27/1031350727.db2.gz UTWHLUNFJCBUNF-NRFANRHFSA-N 1 0 389.575 3.916 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC001219367265 1031382311 /nfs/dbraw/zinc/38/23/11/1031382311.db2.gz WWUWXJSENMDASK-UHFFFAOYSA-N 1 0 391.475 3.802 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(-c2cccc(O)c2)cc1 ZINC001219493916 1031458192 /nfs/dbraw/zinc/45/81/92/1031458192.db2.gz ZXJBFCJRRVUHJC-PKTZIBPZSA-N 1 0 383.451 3.873 20 30 GHEDRO N#C[C@@H](CC(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1c(Cl)cccc1Cl ZINC001219705662 1031566518 /nfs/dbraw/zinc/56/65/18/1031566518.db2.gz MZRWYRIWNXLQPN-MRXNPFEDSA-N 1 0 388.298 3.953 20 30 GHEDRO N#CC1(NC(=O)c2scc3c2CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001153627877 1031679695 /nfs/dbraw/zinc/67/96/95/1031679695.db2.gz AEPIYLZBQFPPSV-UHFFFAOYSA-N 1 0 379.529 3.915 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cccc(-c3csc(N)n3)c2)C1 ZINC001226110180 1031792937 /nfs/dbraw/zinc/79/29/37/1031792937.db2.gz ODUADTCSSSFYNW-LJQANCHMSA-N 1 0 376.485 3.917 20 30 GHEDRO [NH3+]C[C@H](Cc1ccccc1)C(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001220178954 1031820872 /nfs/dbraw/zinc/82/08/72/1031820872.db2.gz BFPLBBBVRDOEGC-IBGZPJMESA-N 1 0 382.463 3.685 20 30 GHEDRO O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001220179657 1031821183 /nfs/dbraw/zinc/82/11/83/1031821183.db2.gz PRJJTAVQGZQQIK-NRFANRHFSA-N 1 0 380.447 3.582 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001226308621 1031909932 /nfs/dbraw/zinc/90/99/32/1031909932.db2.gz XKVZAARIEBCHMU-KAGYGMCKSA-N 1 0 376.456 3.634 20 30 GHEDRO [NH2+]=C(NC([O-])=C[C@H]([NH3+])Cc1cccc2ccccc21)c1ccc2cc(O)ccc2c1 ZINC001220634344 1032033888 /nfs/dbraw/zinc/03/38/88/1032033888.db2.gz MKWZBNJMVRLUPW-OAQYLSRUSA-N 1 0 397.478 3.891 20 30 GHEDRO C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]([NH3+])CSCc1ccc(C)cc1 ZINC001220663739 1032049939 /nfs/dbraw/zinc/04/99/39/1032049939.db2.gz MPMOGZXOQXZIBP-PXNSSMCTSA-N 1 0 384.545 3.998 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)C1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001220663521 1032050339 /nfs/dbraw/zinc/05/03/39/1032050339.db2.gz HBXAAQCNPMNDGW-GOSISDBHSA-N 1 0 394.515 3.759 20 30 GHEDRO COC(=O)CC[N@H+](CC#Cc1ccccc1)Cc1cccc(Br)c1 ZINC001205401860 1033393591 /nfs/dbraw/zinc/39/35/91/1033393591.db2.gz AJVWXFCCUHVIDK-UHFFFAOYSA-N 1 0 386.289 3.866 20 30 GHEDRO CC[N@@H+]1CCC[C@H](Oc2ccccc2/C=N/CC/N=C/c2ccccc2O)C1 ZINC001229382935 1033450648 /nfs/dbraw/zinc/45/06/48/1033450648.db2.gz CMSOUXHKPXAHMY-QJUQNUTOSA-N 1 0 379.504 3.793 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001157177295 1033451379 /nfs/dbraw/zinc/45/13/79/1033451379.db2.gz ZRKIQBHZJYIAPV-UHFFFAOYSA-N 1 0 392.890 3.869 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(OC2CC[NH+](C)CC2)c1 ZINC001229467178 1033499837 /nfs/dbraw/zinc/49/98/37/1033499837.db2.gz DOSUCDVHALJWSW-RMKNXTFCSA-N 1 0 397.471 3.779 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001229524539 1033537612 /nfs/dbraw/zinc/53/76/12/1033537612.db2.gz HEMWBBHZXCBHDG-FQEVSTJZSA-N 1 0 384.911 3.698 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001229587028 1033575226 /nfs/dbraw/zinc/57/52/26/1033575226.db2.gz QCLMPAYDXLCJED-OPQSBORISA-N 1 0 383.444 3.561 20 30 GHEDRO C=CCOc1ccccc1O[C@H]1C=C(C(=O)OC)C[N@@H+](Cc2ccccc2)C1 ZINC001229612134 1033589972 /nfs/dbraw/zinc/58/99/72/1033589972.db2.gz VGSXGZMGJXMHGF-FQEVSTJZSA-N 1 0 379.456 3.614 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3sc(C)nc3C)C[C@@H]2c2ccccc2)C1=O ZINC001206158768 1033748252 /nfs/dbraw/zinc/74/82/52/1033748252.db2.gz VOFSDSKRLYYBQF-KNQAVFIVSA-N 1 0 381.545 3.764 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001157766271 1033760604 /nfs/dbraw/zinc/76/06/04/1033760604.db2.gz BNTBBTFIGAAAPE-SFHVURJKSA-N 1 0 391.862 3.945 20 30 GHEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)cc1I)C2 ZINC001229906131 1033784654 /nfs/dbraw/zinc/78/46/54/1033784654.db2.gz OUECIFBVXUEMNG-FICVDOATSA-N 1 0 396.272 3.945 20 30 GHEDRO C=CCN1CCC2(CC[NH+](Cc3c(Br)ccc(C)c3F)CC2)C1=O ZINC001277433277 1033804656 /nfs/dbraw/zinc/80/46/56/1033804656.db2.gz GDZXMBMBGASQPQ-UHFFFAOYSA-N 1 0 395.316 3.897 20 30 GHEDRO COc1ccc(CN(c2ncc3c(c2C#N)CCCC3)C2CC[NH2+]CC2)cc1F ZINC001158010227 1033867021 /nfs/dbraw/zinc/86/70/21/1033867021.db2.gz DQWSEMUNIOMEMQ-UHFFFAOYSA-N 1 0 394.494 3.738 20 30 GHEDRO C#C[C@H](C)Oc1ccc2c3c(c(NCC[NH+](C)C)nc2c1)C(=O)c1ccccc1-3 ZINC001230092366 1033895723 /nfs/dbraw/zinc/89/57/23/1033895723.db2.gz XCTNBXCYRXBOOK-HNNXBMFYSA-N 1 0 385.467 3.820 20 30 GHEDRO N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCCc3ccccc32)CC1 ZINC001158160888 1033944719 /nfs/dbraw/zinc/94/47/19/1033944719.db2.gz OHWLPOABVSRHCY-PKTZIBPZSA-N 1 0 399.538 3.758 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(N(c3ccncc3F)C3CC[NH2+]CC3)nc21 ZINC001158348153 1034038367 /nfs/dbraw/zinc/03/83/67/1034038367.db2.gz UTSLPUKLBIPDRO-UHFFFAOYSA-N 1 0 379.483 3.991 20 30 GHEDRO Cc1cnc(N2CC[NH+](Cc3cccc(N)c3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001158482654 1034099642 /nfs/dbraw/zinc/09/96/42/1034099642.db2.gz UYSDQLVSQOSTLH-UHFFFAOYSA-N 1 0 378.596 3.523 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[NH+](Cc4cccc(N)c4)CC3)c12 ZINC001158485833 1034105340 /nfs/dbraw/zinc/10/53/40/1034105340.db2.gz WCXDNNFPQMGWFF-UHFFFAOYSA-N 1 0 391.906 3.973 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001158487955 1034105794 /nfs/dbraw/zinc/10/57/94/1034105794.db2.gz GPMRSBGLVHNVNE-UHFFFAOYSA-N 1 0 390.915 3.627 20 30 GHEDRO C=CCN(CC[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001207203601 1034170485 /nfs/dbraw/zinc/17/04/85/1034170485.db2.gz JYUZCCIQXRQZSV-KRWDZBQOSA-N 1 0 397.560 3.789 20 30 GHEDRO C=CCN(CC[NH+]1CCC2(CCOC[C@H]2COCC)CC1)C(=O)OC(C)(C)C ZINC001207201076 1034171366 /nfs/dbraw/zinc/17/13/66/1034171366.db2.gz JQXIBPDQIKNMHS-LJQANCHMSA-N 1 0 396.572 3.565 20 30 GHEDRO C=CCN(CC[NH+]1CCCN(C(=O)OC(C)(C)C)CCC1)C(=O)OC(C)(C)C ZINC001207204361 1034172253 /nfs/dbraw/zinc/17/22/53/1034172253.db2.gz KBMFRHYEEXKUCW-UHFFFAOYSA-N 1 0 397.560 3.742 20 30 GHEDRO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(C)cc(Br)cc1C ZINC001277467035 1034223484 /nfs/dbraw/zinc/22/34/84/1034223484.db2.gz NIFNHVGWJNCBLH-HXUWFJFHSA-N 1 0 389.337 3.656 20 30 GHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)C1 ZINC001207349665 1034297360 /nfs/dbraw/zinc/29/73/60/1034297360.db2.gz GNVSBCFASWEZIQ-QGZVFWFLSA-N 1 0 393.491 3.907 20 30 GHEDRO CC1(C)C[C@@H](C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CCO1 ZINC001207357316 1034302215 /nfs/dbraw/zinc/30/22/15/1034302215.db2.gz KVDPEOXTNATNEQ-URXFXBBRSA-N 1 0 397.563 3.682 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H](c2ccccc2)[C@H](C)[NH+]2CCCC2)cc1C#N ZINC001231042267 1034359750 /nfs/dbraw/zinc/35/97/50/1034359750.db2.gz HNKFMQYOSXIZKC-SBUREZEXSA-N 1 0 378.472 3.878 20 30 GHEDRO C#C[C@H](C)Oc1cc2c(cc1OC)C[N@+]1(C)CCc3cc(OC)c(O)cc3[C@@H]1C2 ZINC001231128525 1034416225 /nfs/dbraw/zinc/41/62/25/1034416225.db2.gz WSOOVQLUGADWQB-SOJACNMYSA-O 1 0 394.491 3.610 20 30 GHEDRO N#Cc1cnc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(F)c1 ZINC001159518946 1034634965 /nfs/dbraw/zinc/63/49/65/1034634965.db2.gz AYVXGUJGCOASEZ-OAQYLSRUSA-N 1 0 390.462 3.568 20 30 GHEDRO N#Cc1ccnc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1F ZINC001159519166 1034635106 /nfs/dbraw/zinc/63/51/06/1034635106.db2.gz BXWZINIEMGTWGP-OAQYLSRUSA-N 1 0 390.462 3.568 20 30 GHEDRO C=CCCCCCCCCC[N@H+]1CCC[C@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001207899258 1034644754 /nfs/dbraw/zinc/64/47/54/1034644754.db2.gz SJQCTKSDUHBUPV-IRLDBZIGSA-N 1 0 380.573 3.679 20 30 GHEDRO C=CCOc1cc(C)nc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)n1 ZINC001159562298 1034666198 /nfs/dbraw/zinc/66/61/98/1034666198.db2.gz SSYRYKICROXXGY-NSKBAKJYSA-N 1 0 378.520 3.982 20 30 GHEDRO N#Cc1cc(Nc2cc(F)ccc2I)cc(C2C[NH2+]C2)c1 ZINC001159704268 1034718403 /nfs/dbraw/zinc/71/84/03/1034718403.db2.gz VKGZMTLAMVNAPR-UHFFFAOYSA-N 1 0 393.203 3.732 20 30 GHEDRO Cc1cc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ncc1C#N ZINC001208079629 1034727350 /nfs/dbraw/zinc/72/73/50/1034727350.db2.gz UABPRDBJDJSZOK-LJQANCHMSA-N 1 0 377.492 3.686 20 30 GHEDRO COC(=O)c1ccc(C(F)(F)F)c(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001159777175 1034739468 /nfs/dbraw/zinc/73/94/68/1034739468.db2.gz KLFBVKNCQGYABH-UHFFFAOYSA-N 1 0 375.350 3.794 20 30 GHEDRO COC(=O)c1ccc(C(=N)Nc2[nH+]ccc3c2ccn3Cc2ccccc2)cc1 ZINC001159856357 1034764581 /nfs/dbraw/zinc/76/45/81/1034764581.db2.gz MARXGKXVEGHVDD-UHFFFAOYSA-N 1 0 384.439 3.908 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)N(C)C)O3)CC1 ZINC001208174434 1034772306 /nfs/dbraw/zinc/77/23/06/1034772306.db2.gz DYDWTHYNQSRWSW-KCZVDYSFSA-N 1 0 375.557 3.574 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001231616649 1034774478 /nfs/dbraw/zinc/77/44/78/1034774478.db2.gz HKOXCGYYGVUPSP-JOCHJYFZSA-N 1 0 385.508 3.932 20 30 GHEDRO COc1cc(C#N)ccc1CN1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618536 1034775061 /nfs/dbraw/zinc/77/50/61/1034775061.db2.gz NWGPISQAVVIWNK-PMOQBDJRSA-N 1 0 390.531 3.694 20 30 GHEDRO CC[C@H]1[N@H+](Cc2ccc(C#N)cc2OC)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001231619662 1034778484 /nfs/dbraw/zinc/77/84/84/1034778484.db2.gz YTFBNWSLFJBISX-GGAORHGYSA-N 1 0 381.520 3.712 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)c1 ZINC001231622632 1034781878 /nfs/dbraw/zinc/78/18/78/1034781878.db2.gz BLNRXTCMHQOHKG-ZLNRFVROSA-N 1 0 382.504 3.708 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)c1 ZINC001231656950 1034814120 /nfs/dbraw/zinc/81/41/20/1034814120.db2.gz JTLACUGZYYJZGR-UKILVPOCSA-N 1 0 388.511 3.612 20 30 GHEDRO C#Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001231659769 1034816915 /nfs/dbraw/zinc/81/69/15/1034816915.db2.gz UXNUIWCMMSXJIJ-VWLOTQADSA-N 1 0 385.511 3.659 20 30 GHEDRO COc1cc2c(cc1F)ncnc2NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160100432 1034859418 /nfs/dbraw/zinc/85/94/18/1034859418.db2.gz BNXZSPAEKRSBKV-UHFFFAOYSA-N 1 0 391.450 3.748 20 30 GHEDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001208405796 1034885193 /nfs/dbraw/zinc/88/51/93/1034885193.db2.gz LHQNLVLNIPOZEV-OXQOHEQNSA-N 1 0 378.476 3.599 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(OC)c(C#N)c3)c(C)c2)CC1 ZINC001208405575 1034885409 /nfs/dbraw/zinc/88/54/09/1034885409.db2.gz CEPZZZJRWLYBNV-UHFFFAOYSA-N 1 0 393.491 3.661 20 30 GHEDRO COc1ccc(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208406170 1034886341 /nfs/dbraw/zinc/88/63/41/1034886341.db2.gz XYAMMKYUYPICCH-PKOBYXMFSA-N 1 0 392.503 3.989 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3cc(Cl)cc(Br)c3)CC2)C1=O ZINC001276569194 1034926343 /nfs/dbraw/zinc/92/63/43/1034926343.db2.gz LTTCZGYEKZKSNA-UHFFFAOYSA-N 1 0 395.728 3.550 20 30 GHEDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)O1 ZINC001231818827 1034927038 /nfs/dbraw/zinc/92/70/38/1034927038.db2.gz GABKGLDAJKJYER-DNVJHFABSA-N 1 0 385.552 3.831 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(N(C)CCC#N)cc4)C[C@@H]3C2)cc1 ZINC001231818201 1034927184 /nfs/dbraw/zinc/92/71/84/1034927184.db2.gz RUSLBOFOGHKKLE-PSWAGMNNSA-N 1 0 388.559 3.909 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)cc1 ZINC001231822171 1034930047 /nfs/dbraw/zinc/93/00/47/1034930047.db2.gz WFYLPCYFASRRPU-JOCHJYFZSA-N 1 0 388.515 3.657 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CCN1C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208588594 1034944375 /nfs/dbraw/zinc/94/43/75/1034944375.db2.gz JEIDKBQQVHMDFV-GGAORHGYSA-N 1 0 394.563 3.577 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@H]3C[NH2+]C[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001160566458 1035003795 /nfs/dbraw/zinc/00/37/95/1035003795.db2.gz QPYKEWDEOCRGHU-BJKOFHAPSA-N 1 0 387.527 3.733 20 30 GHEDRO N#Cc1cc(Cl)cnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001160623963 1035018310 /nfs/dbraw/zinc/01/83/10/1035018310.db2.gz LMLSZFVUVJZHMK-RTBURBONSA-N 1 0 380.835 3.871 20 30 GHEDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001160667797 1035029772 /nfs/dbraw/zinc/02/97/72/1035029772.db2.gz OOCFUVBMDWRMNG-HNNXBMFYSA-N 1 0 375.432 3.616 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1 ZINC001208849363 1035056595 /nfs/dbraw/zinc/05/65/95/1035056595.db2.gz DRUSYSALTFBVNC-UHFFFAOYSA-N 1 0 388.515 3.543 20 30 GHEDRO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CCCc2cccc(C#N)c2)cs1 ZINC001208850098 1035056991 /nfs/dbraw/zinc/05/69/91/1035056991.db2.gz XCHXCAANZHDCRA-BHDDXSALSA-N 1 0 397.544 3.704 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@H](C(=O)OCC)[C@H](c2ccccc2)C1 ZINC001160766420 1035062445 /nfs/dbraw/zinc/06/24/45/1035062445.db2.gz PBQLQAFPRJVQEM-ACRUOGEOSA-N 1 0 386.536 3.646 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 ZINC001208859337 1035062575 /nfs/dbraw/zinc/06/25/75/1035062575.db2.gz PLJUIGYTZGLISL-QHCPKHFHSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cc1 ZINC001208862035 1035064858 /nfs/dbraw/zinc/06/48/58/1035064858.db2.gz SDYAIHCMMJFACT-JAXLGGSGSA-N 1 0 397.544 3.644 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1 ZINC001208861831 1035065023 /nfs/dbraw/zinc/06/50/23/1035065023.db2.gz PSCJBWNDSDSGEX-QHCPKHFHSA-N 1 0 377.463 3.759 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](CC3CCN(c4ccccc4)CC3)C2)CC1 ZINC001208908645 1035084481 /nfs/dbraw/zinc/08/44/81/1035084481.db2.gz XFMPKIWCABHZQL-UHFFFAOYSA-N 1 0 383.536 3.623 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](CCc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC001208927184 1035093258 /nfs/dbraw/zinc/09/32/58/1035093258.db2.gz RYFMQFTZZKGREN-OAQYLSRUSA-N 1 0 387.527 3.758 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CCNC(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001160968402 1035107916 /nfs/dbraw/zinc/10/79/16/1035107916.db2.gz MRXCONAHYBGVJU-OAHLLOKOSA-N 1 0 391.853 3.792 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2[C@H]([NH3+])[C@H]3CC[C@@H]2C3)C1 ZINC001160993972 1035114388 /nfs/dbraw/zinc/11/43/88/1035114388.db2.gz IBGBTYMHHKDRAQ-GLUARIRHSA-N 1 0 399.538 3.718 20 30 GHEDRO CC[N@@H+]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC001161004135 1035118423 /nfs/dbraw/zinc/11/84/23/1035118423.db2.gz VJANHBVZADUDHT-SFHVURJKSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCN(CC[N@@H+]1CC[C@H]2C[C@H](c3nc(C)c(C)s3)O[C@@H]2C1)C(=O)OCC ZINC001209018699 1035152326 /nfs/dbraw/zinc/15/23/26/1035152326.db2.gz HKMXVPGHZMUEBE-RCCFBDPRSA-N 1 0 393.553 3.556 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161401851 1035223692 /nfs/dbraw/zinc/22/36/92/1035223692.db2.gz WLDIQALPIWUHEZ-MEMLXQNLSA-N 1 0 386.536 3.883 20 30 GHEDRO C#CCCC[NH+]1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)c1ccccc1O2 ZINC001209264258 1035227282 /nfs/dbraw/zinc/22/72/82/1035227282.db2.gz ZCQFMXQNSMAZJI-FQEVSTJZSA-N 1 0 380.532 3.813 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC([NH3+])(c2cccnc2)CC1 ZINC001161586416 1035265639 /nfs/dbraw/zinc/26/56/39/1035265639.db2.gz AZZZIEIXICINIE-UHFFFAOYSA-N 1 0 399.832 3.887 20 30 GHEDRO COC1CCC(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001209393490 1035268203 /nfs/dbraw/zinc/26/82/03/1035268203.db2.gz KHWYAALMACHXAO-BOYUCYPVSA-N 1 0 397.563 3.682 20 30 GHEDRO C=CCCCCCC[N@@H+]1C[C@@H](C(=O)NCc2cccs2)C[C@H]2OCC[C@H]21 ZINC001209437638 1035274345 /nfs/dbraw/zinc/27/43/45/1035274345.db2.gz PLMZZHUBPFYOME-DFQSSKMNSA-N 1 0 376.566 3.980 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]2CC ZINC001209461720 1035280379 /nfs/dbraw/zinc/28/03/79/1035280379.db2.gz NEUNOFORAIBKGV-SVMVAKDDSA-N 1 0 393.572 3.711 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001209596072 1035322485 /nfs/dbraw/zinc/32/24/85/1035322485.db2.gz PBWCGJQZXHVKHH-AZUAARDMSA-N 1 0 375.900 3.790 20 30 GHEDRO Cc1cccc(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)c1Br ZINC001248155504 1035581712 /nfs/dbraw/zinc/58/17/12/1035581712.db2.gz QRONHRJLCNRVEN-OAHLLOKOSA-N 1 0 397.276 3.792 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)cc1 ZINC001248156978 1035584771 /nfs/dbraw/zinc/58/47/71/1035584771.db2.gz HIBGKAJWLJPYLY-CQSZACIVSA-N 1 0 398.253 3.899 20 30 GHEDRO CSc1cc(F)c(-c2noc(C[C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1F ZINC001248159786 1035587229 /nfs/dbraw/zinc/58/72/29/1035587229.db2.gz TXUJLCWLDXCBEO-ZDUSSCGKSA-N 1 0 386.427 3.721 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1 ZINC001248159520 1035587586 /nfs/dbraw/zinc/58/75/86/1035587586.db2.gz OOYVIZZVGUZUQN-IBGZPJMESA-N 1 0 397.438 3.908 20 30 GHEDRO C=CCOc1ccc(-c2noc(C[C@@H]([NH3+])COCc3ccccc3)n2)c(F)c1 ZINC001248178635 1035605427 /nfs/dbraw/zinc/60/54/27/1035605427.db2.gz LZOUUBFJVVSIOI-MRXNPFEDSA-N 1 0 383.423 3.527 20 30 GHEDRO N#Cc1cc(F)cc(-c2noc(C[C@H]([NH3+])Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC001248212467 1035644031 /nfs/dbraw/zinc/64/40/31/1035644031.db2.gz IYGVJAXRTLOWDL-MRXNPFEDSA-N 1 0 390.340 3.879 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001248406735 1035821669 /nfs/dbraw/zinc/82/16/69/1035821669.db2.gz GHYYXEAIEXBQLH-DODNOZFWSA-N 1 0 379.548 3.778 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001248473934 1035901438 /nfs/dbraw/zinc/90/14/38/1035901438.db2.gz VECPJLXPDWVLKF-RBBKRZOGSA-N 1 0 380.536 3.889 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001248715027 1036078177 /nfs/dbraw/zinc/07/81/77/1036078177.db2.gz FEDVCIXUCQCBMY-JOCHJYFZSA-N 1 0 394.494 3.749 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001248750547 1036108399 /nfs/dbraw/zinc/10/83/99/1036108399.db2.gz NKMVAUJFZHSVGP-RBBKRZOGSA-N 1 0 377.463 3.606 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(Br)cnc1C)C2 ZINC001248778944 1036139228 /nfs/dbraw/zinc/13/92/28/1036139228.db2.gz RMZONTFIRSSMSJ-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2ncc(F)c(Oc3ccc(C#N)cc3)n2)c1 ZINC001243749162 1036267516 /nfs/dbraw/zinc/26/75/16/1036267516.db2.gz RPNNKQGGWICNLM-UHFFFAOYSA-N 1 0 378.407 3.887 20 30 GHEDRO CCC[N@H+]1C[C@H]2CN(C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1 ZINC001245772094 1036993363 /nfs/dbraw/zinc/99/33/63/1036993363.db2.gz LBVBCYPTIBHXPR-OKILXGFUSA-N 1 0 382.455 3.547 20 30 GHEDRO CC(C)[NH+]1CCC(CNC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001245792359 1037002206 /nfs/dbraw/zinc/00/22/06/1037002206.db2.gz OPQODXGMTMWHDB-UHFFFAOYSA-N 1 0 384.471 3.984 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246217547 1037242897 /nfs/dbraw/zinc/24/28/97/1037242897.db2.gz TUHOTBXHAZPMHJ-WWNPGLIZSA-N 1 0 396.506 3.857 20 30 GHEDRO C=CCCC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC001246655470 1037528788 /nfs/dbraw/zinc/52/87/88/1037528788.db2.gz VXOVLBMPSQSDFD-DHIUTWEWSA-N 1 0 398.595 3.894 20 30 GHEDRO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246785446 1037626009 /nfs/dbraw/zinc/62/60/09/1037626009.db2.gz BCOPWBPQIFFMAU-GGAORHGYSA-N 1 0 378.495 3.621 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc(OCC)c(C)c1)CC2 ZINC001232302715 1038049956 /nfs/dbraw/zinc/04/99/56/1038049956.db2.gz LMHBNOWTVMTLIO-UHFFFAOYSA-N 1 0 387.524 3.789 20 30 GHEDRO N#Cc1ccc(-c2noc([C@@H](c3ccco3)N3CCC[C@H]([NH3+])C3)n2)c2ccccc12 ZINC001247328029 1038124887 /nfs/dbraw/zinc/12/48/87/1038124887.db2.gz PIMNZTNCHDOFIS-HRAATJIYSA-N 1 0 399.454 3.867 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(Br)c1N)CC2 ZINC001232524051 1038288070 /nfs/dbraw/zinc/28/80/70/1038288070.db2.gz ZFKIMOZKOVEXOI-IBGZPJMESA-N 1 0 392.341 3.564 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)s1 ZINC001232842412 1038593498 /nfs/dbraw/zinc/59/34/98/1038593498.db2.gz CTEFDJNPHFMJEV-XMSQKQJNSA-N 1 0 395.528 3.563 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)s1 ZINC001232843576 1038595030 /nfs/dbraw/zinc/59/50/30/1038595030.db2.gz RBTUSOMDKGRKCQ-NRFANRHFSA-N 1 0 385.508 3.878 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc(C)cc(O)c3)C[C@@H]2c2ccccc2)C1=O ZINC001232880981 1038656690 /nfs/dbraw/zinc/65/66/90/1038656690.db2.gz UJSWOJLEUMBLHK-VWNXMTODSA-N 1 0 376.500 3.705 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cncc(-c3ccccc3)c1)CC2 ZINC001232896804 1038690108 /nfs/dbraw/zinc/69/01/08/1038690108.db2.gz HUOLIGWOGZBVKL-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cc(C)c(Br)cn1)C2 ZINC001232906141 1038703337 /nfs/dbraw/zinc/70/33/37/1038703337.db2.gz CKJWHJVASSYPQA-RBUKOAKNSA-N 1 0 395.341 3.726 20 30 GHEDRO COc1ccc([C@H](C[N@H+](C)Cc2cccc(C#N)n2)C2(O)CCCCC2)cc1 ZINC001232926566 1038713980 /nfs/dbraw/zinc/71/39/80/1038713980.db2.gz TZOZQFVLXGTFAZ-QFIPXVFZSA-N 1 0 379.504 3.873 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(OC)c3ccccc13)CC2 ZINC001232950239 1038727833 /nfs/dbraw/zinc/72/78/33/1038727833.db2.gz MHLZRYBSMVUOJV-QHCPKHFHSA-N 1 0 379.504 3.777 20 30 GHEDRO Cc1ccc(CN2CC(c3[nH+]cn4cc(Br)ccc34)C2)c(C#N)c1 ZINC001232967752 1038740887 /nfs/dbraw/zinc/74/08/87/1038740887.db2.gz UPCJMQFHWCABMV-UHFFFAOYSA-N 1 0 381.277 3.876 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001233081436 1038851798 /nfs/dbraw/zinc/85/17/98/1038851798.db2.gz XHAUAILZKCBYSC-JTHBVZDNSA-N 1 0 377.488 3.712 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001233081706 1038852727 /nfs/dbraw/zinc/85/27/27/1038852727.db2.gz MCLGKHXFDOLAJR-QFIPXVFZSA-N 1 0 377.488 3.602 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001252125441 1038871108 /nfs/dbraw/zinc/87/11/08/1038871108.db2.gz DGVUFJNRIFUXMF-URVUXULASA-N 1 0 376.541 3.520 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001252125439 1038871823 /nfs/dbraw/zinc/87/18/23/1038871823.db2.gz DGVUFJNRIFUXMF-SJBKTWHCSA-N 1 0 376.541 3.520 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1 ZINC001252140073 1038888967 /nfs/dbraw/zinc/88/89/67/1038888967.db2.gz YBHQGTTXCMXAMQ-CVEARBPZSA-N 1 0 388.478 3.775 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(c2ccc(OC)cn2)CCOCC1 ZINC001252139175 1038889476 /nfs/dbraw/zinc/88/94/76/1038889476.db2.gz KJDFOLIAWWBCEY-IBGZPJMESA-N 1 0 378.557 3.840 20 30 GHEDRO CC(C)C([NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC001252339372 1038946542 /nfs/dbraw/zinc/94/65/42/1038946542.db2.gz FLDYTWVRQMYJKM-SFHVURJKSA-N 1 0 385.430 3.537 20 30 GHEDRO C=CCOC[C@H](O)C[NH+]1CCC2(CCc3cc(-c4cccnc4)ccc32)CC1 ZINC001252462911 1038998786 /nfs/dbraw/zinc/99/87/86/1038998786.db2.gz KLQUGVFKGYMMOK-JOCHJYFZSA-N 1 0 378.516 3.592 20 30 GHEDRO C=C[C@](C)(O)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001252558084 1039031963 /nfs/dbraw/zinc/03/19/63/1039031963.db2.gz RBZVGULJZDSWQB-JLMWRMLUSA-N 1 0 389.540 3.657 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001252577368 1039036668 /nfs/dbraw/zinc/03/66/68/1039036668.db2.gz ZQWAISIEJXHEEV-DENIHFKCSA-N 1 0 386.536 3.927 20 30 GHEDRO C=CCC[C@H](O)CNc1ccc(CN2CC[NH+](CC)CC2)c(C(F)(F)F)c1 ZINC001252609554 1039045904 /nfs/dbraw/zinc/04/59/04/1039045904.db2.gz XNIPLVYGVZIKJZ-SFHVURJKSA-N 1 0 385.474 3.582 20 30 GHEDRO N#Cc1c(Cl)c(Cl)ccc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252939262 1039282942 /nfs/dbraw/zinc/28/29/42/1039282942.db2.gz QBNVCJOCNJUXQC-LJQANCHMSA-N 1 0 376.287 3.914 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)c(C#N)c(C)c3)cc2F)CC1 ZINC001462360657 1070199779 /nfs/dbraw/zinc/19/97/79/1070199779.db2.gz NILRAUGWORDNFN-UHFFFAOYSA-N 1 0 380.467 3.708 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1 ZINC001233505794 1039396169 /nfs/dbraw/zinc/39/61/69/1039396169.db2.gz GUDBHIPTITVJFD-AWEZNQCLSA-N 1 0 397.822 3.649 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1=S ZINC001253087763 1039415323 /nfs/dbraw/zinc/41/53/23/1039415323.db2.gz ZPDNOPSZPASIQZ-GOSISDBHSA-N 1 0 383.565 3.703 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001253236804 1039493136 /nfs/dbraw/zinc/49/31/36/1039493136.db2.gz UAWUBLQNACTXNG-JOCHJYFZSA-N 1 0 390.568 3.834 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001253238406 1039494892 /nfs/dbraw/zinc/49/48/92/1039494892.db2.gz DRMYRLXESHKNFE-UPVQGACJSA-N 1 0 395.547 3.875 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(c2nc(C(=O)OCC)co2)CC1 ZINC001253243206 1039499764 /nfs/dbraw/zinc/49/97/64/1039499764.db2.gz SOLOMZNHVXRFBO-SFHVURJKSA-N 1 0 378.513 3.918 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC1(c2ccc(OC)cn2)CCOCC1 ZINC001253253714 1039504272 /nfs/dbraw/zinc/50/42/72/1039504272.db2.gz JWVSGABOOAKZHH-LJQANCHMSA-N 1 0 376.541 3.616 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001253254077 1039504580 /nfs/dbraw/zinc/50/45/80/1039504580.db2.gz MHHLJCQNUSARKH-OAQYLSRUSA-N 1 0 394.581 3.594 20 30 GHEDRO CC(C)C[C@H]([NH2+]C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C(=O)NO ZINC001253498907 1039681218 /nfs/dbraw/zinc/68/12/18/1039681218.db2.gz LEPBZYYNVSOWGD-FXAWDEMLSA-N 1 0 384.948 3.560 20 30 GHEDRO C=C[C@@H](O)C[N@H+](Cc1cccc(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253588246 1039711160 /nfs/dbraw/zinc/71/11/60/1039711160.db2.gz UOYYZKRYJXFBKV-RBUKOAKNSA-N 1 0 378.488 3.574 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1cn(C)cn1 ZINC001253615547 1039726665 /nfs/dbraw/zinc/72/66/65/1039726665.db2.gz KHOFICXNJYCCCV-QFIPXVFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC[C@@H](C)CO ZINC001253617496 1039729221 /nfs/dbraw/zinc/72/92/21/1039729221.db2.gz SCZREALJGQZNAE-FGZHOGPDSA-N 1 0 389.621 3.910 20 30 GHEDRO CCO[C@H](CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C[NH+](C)C ZINC001233981089 1039741651 /nfs/dbraw/zinc/74/16/51/1039741651.db2.gz CAWPOYFEWVBIHG-VGOFRKELSA-N 1 0 394.519 3.552 20 30 GHEDRO N#Cc1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1N1CCCC1 ZINC001254044926 1039972379 /nfs/dbraw/zinc/97/23/79/1039972379.db2.gz ZGQUEBGNBRMLRW-UHFFFAOYSA-N 1 0 390.531 3.597 20 30 GHEDRO C=CCOc1cccnc1C(=O)Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC001254159533 1040014593 /nfs/dbraw/zinc/01/45/93/1040014593.db2.gz JZDZEMOVLXDBQB-UHFFFAOYSA-N 1 0 391.475 3.761 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1=O ZINC001234413412 1040015174 /nfs/dbraw/zinc/01/51/74/1040015174.db2.gz KZLFTGLSRJKDFO-IBGZPJMESA-N 1 0 384.854 3.942 20 30 GHEDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCN(c4ccc(C#N)cn4)CC3)c2c1 ZINC001234552754 1040122365 /nfs/dbraw/zinc/12/23/65/1040122365.db2.gz GRGNEHUNAMQOAC-UHFFFAOYSA-N 1 0 388.471 3.533 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC2CCC3(CCC(=O)N3)CC2)CC1 ZINC001254348030 1040181794 /nfs/dbraw/zinc/18/17/94/1040181794.db2.gz YPJXQWYVHYWQFD-UHFFFAOYSA-N 1 0 383.511 3.958 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCN(CC3CCOCC3)C2)CC1 ZINC001254349968 1040182898 /nfs/dbraw/zinc/18/28/98/1040182898.db2.gz DCUFQCWDGCFWRU-OOMBGRCJSA-N 1 0 385.527 3.620 20 30 GHEDRO CCOC[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)Cc2cn(C)nc21 ZINC001254355519 1040188007 /nfs/dbraw/zinc/18/80/07/1040188007.db2.gz UXUYLBCTWKIZEK-RHKCVOJBSA-N 1 0 396.510 3.899 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(CCc3ccccn3)CC2)CC1 ZINC001254356646 1040189552 /nfs/dbraw/zinc/18/95/52/1040189552.db2.gz RFRAINYOVRTRJP-UHFFFAOYSA-N 1 0 392.522 3.785 20 30 GHEDRO C[N@@H+]1CCC[C@@H](Oc2cc(/C=C3\COc4cc(O)ccc4C3=O)ccc2O)CC1 ZINC001234717125 1040248506 /nfs/dbraw/zinc/24/85/06/1040248506.db2.gz VMUJOMJFAFCTTA-QIPHDZALSA-N 1 0 395.455 3.620 20 30 GHEDRO COc1ccc(CCCc2ccc(O)cc2)c(O[C@H](CC#N)C[N+](C)(C)C)c1 ZINC001234766781 1040294144 /nfs/dbraw/zinc/29/41/44/1040294144.db2.gz VUMPXEGSKMQQDU-JOCHJYFZSA-O 1 0 383.512 3.943 20 30 GHEDRO Cc1nn(C)c(O[C@H](CC#N)C[N+](C)(C)C)c1Sc1ccc(Cl)cc1 ZINC001234850837 1040368532 /nfs/dbraw/zinc/36/85/32/1040368532.db2.gz CQRMRUZXPGZXJC-OAHLLOKOSA-N 1 0 379.937 3.900 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]C3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC001254618744 1040389551 /nfs/dbraw/zinc/38/95/51/1040389551.db2.gz CKIRWUGTRHZRRO-UHFFFAOYSA-N 1 0 392.522 3.920 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254645960 1040416191 /nfs/dbraw/zinc/41/61/91/1040416191.db2.gz ILTHQLUDNIHQEG-HKUYNNGSSA-N 1 0 384.524 3.526 20 30 GHEDRO C=CCc1c(O[C@H]2CC[N@@H+](CC)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234903646 1040419136 /nfs/dbraw/zinc/41/91/36/1040419136.db2.gz PIZIVHILHCMACM-SFHVURJKSA-N 1 0 375.472 3.587 20 30 GHEDRO CCC[N@H+]([C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC)[C@@H]1CC[C@@H](C#N)C1 ZINC001254669274 1040428579 /nfs/dbraw/zinc/42/85/79/1040428579.db2.gz QCNNZRZSCJTABU-RRFJBIMHSA-N 1 0 377.510 3.574 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(c2ccccc2)C1 ZINC001254671183 1040430479 /nfs/dbraw/zinc/43/04/79/1040430479.db2.gz PTXXYJPWYOJARC-RKCFAAOBSA-N 1 0 381.520 3.799 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H](C#N)C2)C1 ZINC001254678279 1040434271 /nfs/dbraw/zinc/43/42/71/1040434271.db2.gz ZYZSVSJHAICPLU-IHPCNDPISA-N 1 0 384.524 3.975 20 30 GHEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254732811 1040490932 /nfs/dbraw/zinc/49/09/32/1040490932.db2.gz DZBRUPWRFXAENJ-OALUTQOASA-N 1 0 377.573 3.796 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)CCO2 ZINC001254802816 1040564640 /nfs/dbraw/zinc/56/46/40/1040564640.db2.gz PZRBFGZUXZWIJJ-GOSISDBHSA-N 1 0 385.508 3.551 20 30 GHEDRO Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001235179648 1040670283 /nfs/dbraw/zinc/67/02/83/1040670283.db2.gz ANMOCYJMQGQAAI-QFIPXVFZSA-N 1 0 376.504 3.721 20 30 GHEDRO CSc1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)ccc1C#N ZINC001278839681 1040766009 /nfs/dbraw/zinc/76/60/09/1040766009.db2.gz PKLJSVQCGWIDAF-IYBDPMFKSA-N 1 0 384.471 3.666 20 30 GHEDRO N#Cc1ccc(N2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC001255144104 1040854723 /nfs/dbraw/zinc/85/47/23/1040854723.db2.gz LZRHNTVIGKQGTI-QEIWAGNOSA-N 1 0 386.543 3.876 20 30 GHEDRO CC[C@H](CC#N)[NH+]1CCC2(C[C@@H](COCC3CC3)N(C(=O)c3ccco3)C2)CC1 ZINC001255167960 1040882735 /nfs/dbraw/zinc/88/27/35/1040882735.db2.gz LEBJQOHUDZMWIC-UXHICEINSA-N 1 0 399.535 3.695 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(Br)co3)CC2)C1=O ZINC001277950589 1040969376 /nfs/dbraw/zinc/96/93/76/1040969376.db2.gz GHQIERFDDQEERH-GOSISDBHSA-N 1 0 381.314 3.823 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001235516275 1040971817 /nfs/dbraw/zinc/97/18/17/1040971817.db2.gz GDYHPRPGYJGCCM-QFIPXVFZSA-N 1 0 396.485 3.881 20 30 GHEDRO N#CCc1ccccc1C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001235531055 1040977495 /nfs/dbraw/zinc/97/74/95/1040977495.db2.gz ZPARMRHJBMGSAV-UHFFFAOYSA-N 1 0 381.277 3.762 20 30 GHEDRO C=CC[NH2+]CCN1CCC2(C[C@@H](CC(=O)N(CC)CC)c3ccccc32)CC1 ZINC001235614670 1041033759 /nfs/dbraw/zinc/03/37/59/1041033759.db2.gz FLDNPXZTEUOJIN-HXUWFJFHSA-N 1 0 383.580 3.542 20 30 GHEDRO COCCCN(Cc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235806472 1041313773 /nfs/dbraw/zinc/31/37/73/1041313773.db2.gz OVKHWTHGAPKLQU-NRFANRHFSA-N 1 0 379.504 3.941 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001255924671 1041413142 /nfs/dbraw/zinc/41/31/42/1041413142.db2.gz DNYHHEPSFOHYKG-UHFFFAOYSA-N 1 0 391.515 3.819 20 30 GHEDRO COc1cc(N2CCC([NH2+]C34CCC(C#N)(CC3)CC4)CC2)ccc1[N+](=O)[O-] ZINC001256088188 1041517307 /nfs/dbraw/zinc/51/73/07/1041517307.db2.gz CONCMOYARXBMMF-UHFFFAOYSA-N 1 0 384.480 3.778 20 30 GHEDRO Cn1cc(CN2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)c2cc(C#N)ccc21 ZINC001236153855 1041575606 /nfs/dbraw/zinc/57/56/06/1041575606.db2.gz HPVNEJLTHMVKDJ-HXUWFJFHSA-N 1 0 398.627 3.916 20 30 GHEDRO Cn1cc(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001236391024 1041696179 /nfs/dbraw/zinc/69/61/79/1041696179.db2.gz GCJOHUVXLSLRCW-NRFANRHFSA-N 1 0 376.479 3.943 20 30 GHEDRO C=CCn1cc(CN(Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)cn1 ZINC001236492149 1041738362 /nfs/dbraw/zinc/73/83/62/1041738362.db2.gz VHMSFRXPPOCCDP-UHFFFAOYSA-N 1 0 396.432 3.981 20 30 GHEDRO CSc1nc(CN(Cc2ccc(F)cc2C)C2CC[NH2+]CC2)ccc1C#N ZINC001236522471 1041752687 /nfs/dbraw/zinc/75/26/87/1041752687.db2.gz VFKQMYVDVBXAAC-UHFFFAOYSA-N 1 0 384.524 3.877 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)cc3c1OCCC3)C2 ZINC001236616692 1041783547 /nfs/dbraw/zinc/78/35/47/1041783547.db2.gz RBJPQHMHGYNNNQ-IRLDBZIGSA-N 1 0 375.484 3.724 20 30 GHEDRO N#Cc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1Br ZINC001236861934 1041932428 /nfs/dbraw/zinc/93/24/28/1041932428.db2.gz YMKJMDNJHIJCRG-HDICACEKSA-N 1 0 382.305 3.889 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)C1 ZINC001462580964 1070387115 /nfs/dbraw/zinc/38/71/15/1070387115.db2.gz NMUICTRWHRIQOT-UFYCRDLUSA-N 1 0 377.573 3.632 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(F)c(N3CCCC3)c1)C2 ZINC001237086314 1042028883 /nfs/dbraw/zinc/02/88/83/1042028883.db2.gz APUWWFXPQFEIJS-DHIUTWEWSA-N 1 0 388.527 4.000 20 30 GHEDRO N#Cc1ccc(CN2CCC3(CC2)[NH2+]CCc2ccccc23)cc1Br ZINC001237289400 1042126743 /nfs/dbraw/zinc/12/67/43/1042126743.db2.gz OIWYQJWTMFYDCH-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001462593471 1070398432 /nfs/dbraw/zinc/39/84/32/1070398432.db2.gz JCCVPMMDWDKLNI-HXUWFJFHSA-N 1 0 392.503 3.692 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237473109 1042224048 /nfs/dbraw/zinc/22/40/48/1042224048.db2.gz FEJXHMIHLFRVCO-QAPCUYQASA-N 1 0 382.508 3.785 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c(C)cccc3O)C[C@@H]2c2ccccc2)C1=O ZINC001237486061 1042229547 /nfs/dbraw/zinc/22/95/47/1042229547.db2.gz NKEQQEOTAYSELU-QPPBQGQZSA-N 1 0 376.500 3.705 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)c(F)cc1F ZINC001237525308 1042250554 /nfs/dbraw/zinc/25/05/54/1042250554.db2.gz CWMWBSRYWSZXQN-MRXNPFEDSA-N 1 0 387.474 3.745 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(C#N)c(F)cc3F)CC2)C1=O ZINC001237526856 1042251483 /nfs/dbraw/zinc/25/14/83/1042251483.db2.gz PDGKXJOUIFZKAJ-LJQANCHMSA-N 1 0 395.453 3.674 20 30 GHEDRO N#Cc1ccc2nc(C[N@H+]3C[C@H]4c5ccccc5[C@H](OCC5CC5)[C@H]4C3)cn2c1 ZINC001237615326 1042283332 /nfs/dbraw/zinc/28/33/32/1042283332.db2.gz VTVXGGCGUFBIGC-FIXSFTCYSA-N 1 0 384.483 3.903 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(F)c(C)n3)C[C@@H]2c2ccccc2)C1=O ZINC001237812911 1042382041 /nfs/dbraw/zinc/38/20/41/1042382041.db2.gz DOIRTAWCJPFDDC-OFNKIYASSA-N 1 0 379.479 3.533 20 30 GHEDRO CCOC(=O)COc1cccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c1 ZINC001237912950 1042419812 /nfs/dbraw/zinc/41/98/12/1042419812.db2.gz BGVWYLHNFANBGF-UHFFFAOYSA-N 1 0 377.484 3.892 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1[nH]nc3cc(Cl)ccc31)C2 ZINC001237998740 1042452086 /nfs/dbraw/zinc/45/20/86/1042452086.db2.gz WXYYIMTYAZLIMX-PMACEKPBSA-N 1 0 375.900 3.790 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4ccc(C#N)cc4Cl)CC[N@@H+]3C2)cc1 ZINC001238081492 1042484991 /nfs/dbraw/zinc/48/49/91/1042484991.db2.gz BLLWWYPILDOSPJ-FPOVZHCZSA-N 1 0 381.907 3.858 20 30 GHEDRO CCn1c2ccccc2nc1N1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC001238084390 1042486694 /nfs/dbraw/zinc/48/66/94/1042486694.db2.gz IYZRJQLKFRGCAS-UHFFFAOYSA-N 1 0 379.895 3.903 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)ccc1C#N ZINC001238407004 1042586954 /nfs/dbraw/zinc/58/69/54/1042586954.db2.gz KAOOHGYZIKTNRT-DEOSSOPVSA-N 1 0 389.499 3.713 20 30 GHEDRO COc1cc(C[N@@H+]2CCCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1C#N ZINC001238409547 1042587413 /nfs/dbraw/zinc/58/74/13/1042587413.db2.gz IAIKIWKQOMDDLS-UHFFFAOYSA-N 1 0 385.508 3.932 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)ccc1C#N ZINC001238409377 1042587418 /nfs/dbraw/zinc/58/74/18/1042587418.db2.gz ZGGTWXRVQRXQRK-GGAORHGYSA-N 1 0 377.488 3.781 20 30 GHEDRO COc1cc(CN2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)ccc1C#N ZINC001238414505 1042588403 /nfs/dbraw/zinc/58/84/03/1042588403.db2.gz WEUGTPBIPIBNFJ-UHFFFAOYSA-N 1 0 380.419 3.706 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ncc1Cl ZINC001238419642 1042590237 /nfs/dbraw/zinc/59/02/37/1042590237.db2.gz KIWMXKBQOLWSAR-NRFANRHFSA-N 1 0 380.879 3.544 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)ccc1C#N ZINC001238760750 1042717514 /nfs/dbraw/zinc/71/75/14/1042717514.db2.gz PMNPTQDCMIIJLJ-HSZRJFAPSA-N 1 0 399.535 3.723 20 30 GHEDRO CCc1cc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)ccc1C#N ZINC001238774040 1042722105 /nfs/dbraw/zinc/72/21/05/1042722105.db2.gz GHDVFFORDZMMIH-ZLNRFVROSA-N 1 0 379.504 3.577 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC001238819329 1042737782 /nfs/dbraw/zinc/73/77/82/1042737782.db2.gz NEBJSAKPZMNFMJ-UHFFFAOYSA-N 1 0 393.535 3.609 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)cc1 ZINC001239250791 1042797660 /nfs/dbraw/zinc/79/76/60/1042797660.db2.gz NSQWPVCSKCPKLR-UHFFFAOYSA-N 1 0 388.393 3.977 20 30 GHEDRO N#Cc1ccc(NC(=O)NCCCC[C@H]([NH3+])C(=O)SCc2ccccc2)cc1 ZINC001239254998 1042798154 /nfs/dbraw/zinc/79/81/54/1042798154.db2.gz JIKLSMCDJWZSHD-IBGZPJMESA-N 1 0 396.516 3.637 20 30 GHEDRO CCCCCCCNC(=S)Nc1sc2c(c1C(=O)OCC)CC[NH2+]C2 ZINC001239341637 1042810418 /nfs/dbraw/zinc/81/04/18/1042810418.db2.gz LBMQXFXLSMILGI-UHFFFAOYSA-N 1 0 383.583 3.827 20 30 GHEDRO Cc1cccc2c1C1(C[C@H]2NC(=S)Nc2ccccc2C#N)CC[NH2+]CC1 ZINC001239373545 1042816070 /nfs/dbraw/zinc/81/60/70/1042816070.db2.gz NLDSGRBTGFLZQX-LJQANCHMSA-N 1 0 376.529 3.919 20 30 GHEDRO [NH3+][C@H]1C[C@@H](F)CN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001239417016 1042824485 /nfs/dbraw/zinc/82/44/85/1042824485.db2.gz WLOIUWNZDMEGBH-ZJUUUORDSA-N 1 0 389.340 3.792 20 30 GHEDRO COc1cc(CCC#N)c(-c2cccc(C[NH+]3CCN(C)CC3)c2)cc1OC ZINC001240298390 1042919742 /nfs/dbraw/zinc/91/97/42/1042919742.db2.gz YFGRIJZRSHENJU-UHFFFAOYSA-N 1 0 379.504 3.574 20 30 GHEDRO CN1CC[NH+](C2(c3ccc(-c4ncc(C(F)(F)F)cc4C#N)cc3)CC2)CC1 ZINC001240572910 1042941629 /nfs/dbraw/zinc/94/16/29/1042941629.db2.gz LIHODBQFLPJBBX-UHFFFAOYSA-N 1 0 386.421 3.876 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291106765 1043081380 /nfs/dbraw/zinc/08/13/80/1043081380.db2.gz AIELQDUDRDDTQK-ZWKOTPCHSA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC1)[NH+]1CCC(C)CC1 ZINC001291142947 1043106651 /nfs/dbraw/zinc/10/66/51/1043106651.db2.gz OKQMEJMRVUWRLY-SFHVURJKSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C1)C[NH+]1CCCCC1 ZINC001291154852 1043113278 /nfs/dbraw/zinc/11/32/78/1043113278.db2.gz GTGVCLFZRYCOTK-OALUTQOASA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001291768766 1043452751 /nfs/dbraw/zinc/45/27/51/1043452751.db2.gz ZQFGKNQYHNGUJQ-DYESRHJHSA-N 1 0 392.551 3.783 20 30 GHEDRO CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC001291845298 1043497180 /nfs/dbraw/zinc/49/71/80/1043497180.db2.gz NHYYXGSNDVONDB-HMXCVIKNSA-N 1 0 394.567 3.900 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC001256606688 1043572255 /nfs/dbraw/zinc/57/22/55/1043572255.db2.gz XEBRBPCLXRYBPK-XMMPIXPASA-N 1 0 381.564 3.684 20 30 GHEDRO C[C@@H](Cc1ccncc1)[NH2+]CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001256730508 1043640064 /nfs/dbraw/zinc/64/00/64/1043640064.db2.gz SYDYFENKWUYOCJ-FQEVSTJZSA-N 1 0 395.506 3.939 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC001256793512 1043653856 /nfs/dbraw/zinc/65/38/56/1043653856.db2.gz BREWAQWLZJDETH-GOTSBHOMSA-N 1 0 389.499 3.673 20 30 GHEDRO COCCC1(C[NH2+]C2CCC(C#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001256960287 1043774753 /nfs/dbraw/zinc/77/47/53/1043774753.db2.gz QHUKAUYAWVAVFT-UHFFFAOYSA-N 1 0 379.545 3.712 20 30 GHEDRO C=CCOc1cccnc1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC001292582617 1043796427 /nfs/dbraw/zinc/79/64/27/1043796427.db2.gz UQASZJRWAZKLLB-UHFFFAOYSA-N 1 0 379.504 3.808 20 30 GHEDRO CCC1=NC2(CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)C(=O)N1C ZINC001257022374 1043807797 /nfs/dbraw/zinc/80/77/97/1043807797.db2.gz LEBFDJXYYGGOMG-UHFFFAOYSA-N 1 0 378.520 3.700 20 30 GHEDRO CCc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001292826649 1043900632 /nfs/dbraw/zinc/90/06/32/1043900632.db2.gz BDRFAIMYTZGKRQ-HXUWFJFHSA-N 1 0 382.556 3.715 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001292834714 1043905451 /nfs/dbraw/zinc/90/54/51/1043905451.db2.gz CFAMGOSRUWODGW-SFHVURJKSA-N 1 0 380.540 3.613 20 30 GHEDRO CC(C)[C@H]1C[C@@H]([NH2+]CCOc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001257178200 1043920243 /nfs/dbraw/zinc/92/02/43/1043920243.db2.gz FVOSOWGWHJMFFI-AZUAARDMSA-N 1 0 387.524 3.951 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC001462778735 1070539526 /nfs/dbraw/zinc/53/95/26/1070539526.db2.gz SRNBEBHZRMGOOL-UHFFFAOYSA-N 1 0 388.533 3.683 20 30 GHEDRO CCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001293023261 1043989773 /nfs/dbraw/zinc/98/97/73/1043989773.db2.gz UJTHWIYFCZNQRZ-KNQAVFIVSA-N 1 0 380.540 3.582 20 30 GHEDRO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001293125779 1044029355 /nfs/dbraw/zinc/02/93/55/1044029355.db2.gz XKMVXQSXPDTPIH-HXUWFJFHSA-N 1 0 383.442 3.973 20 30 GHEDRO C=C(C)C(=O)NCCC[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257764712 1044152991 /nfs/dbraw/zinc/15/29/91/1044152991.db2.gz POHFEAUPWPVSFH-UHFFFAOYSA-N 1 0 393.572 3.618 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001293464015 1044194746 /nfs/dbraw/zinc/19/47/46/1044194746.db2.gz XVQCLZRAVSYCJU-RTBURBONSA-N 1 0 392.551 3.785 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3Cn4nnc(-c5cccc(F)c5)c4CO3)C[C@H](C1)C2 ZINC001257886322 1044243174 /nfs/dbraw/zinc/24/31/74/1044243174.db2.gz AFVFMJYWRYUDCL-LKYOTBHLSA-N 1 0 382.483 3.708 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCO[C@H]4[C@H](OCC5CCOCC5)CC[C@@H]43)C[C@H](C1)C2 ZINC001257891056 1044245907 /nfs/dbraw/zinc/24/59/07/1044245907.db2.gz DPPOZZYYLLIBFE-QSLSGJRPSA-N 1 0 375.553 3.796 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H](Oc4ncc(Br)cn4)C3)C[C@H](C1)C2 ZINC001257895704 1044250158 /nfs/dbraw/zinc/25/01/58/1044250158.db2.gz YRCKNRBCOGTSDC-ADNJVRNUSA-N 1 0 378.314 3.827 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257960284 1044277965 /nfs/dbraw/zinc/27/79/65/1044277965.db2.gz HFYRMZLCUWLSOA-CEWLAPEOSA-N 1 0 377.912 3.717 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001258042581 1044366331 /nfs/dbraw/zinc/36/63/31/1044366331.db2.gz QQASRMBLNMXOED-CTNGQTDRSA-N 1 0 384.568 3.941 20 30 GHEDRO CCCCCCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccno2)[C@H]2OCCC[C@H]2C1 ZINC001258046861 1044368838 /nfs/dbraw/zinc/36/88/38/1044368838.db2.gz FKDNOIDARKFYMU-GNBUJSLZSA-N 1 0 377.529 3.633 20 30 GHEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CN(CCOC)C(=O)[C@@H]2COC)CC1 ZINC001258048917 1044371733 /nfs/dbraw/zinc/37/17/33/1044371733.db2.gz ZCXLANICJTVLNX-UXHICEINSA-N 1 0 382.589 3.569 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2cccnc2)C1 ZINC001258048289 1044371877 /nfs/dbraw/zinc/37/18/77/1044371877.db2.gz SHJQWWUERXRVFE-RYFAJOAYSA-N 1 0 387.568 3.784 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H](C)CCCC(=O)OCC)CC2)C1 ZINC001258117974 1044405476 /nfs/dbraw/zinc/40/54/76/1044405476.db2.gz SQZVPKGQXPWCCF-SFHVURJKSA-N 1 0 380.529 3.609 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCN(CCc3ccccc3)CC1)CC2 ZINC001258144123 1044430810 /nfs/dbraw/zinc/43/08/10/1044430810.db2.gz RZJPVEQDRHCWKR-VWLOTQADSA-N 1 0 395.591 3.727 20 30 GHEDRO CCCCCCCCC[C@H](C)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001258228025 1044477819 /nfs/dbraw/zinc/47/78/19/1044477819.db2.gz CNBKMVIBVRNULX-DOIPELPJSA-N 1 0 380.573 3.606 20 30 GHEDRO CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001294425933 1044619361 /nfs/dbraw/zinc/61/93/61/1044619361.db2.gz OWHVFYITZRQJJM-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001294430441 1044624767 /nfs/dbraw/zinc/62/47/67/1044624767.db2.gz ZNHQOJILSKYIHF-ZWKOTPCHSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)OC)cc1 ZINC001258725028 1044733851 /nfs/dbraw/zinc/73/38/51/1044733851.db2.gz DYWPKDGMKNPHSR-MAUKXSAKSA-N 1 0 376.497 3.983 20 30 GHEDRO C=CCC[C@@H](C)[N@H+]1CCc2nc(C(=O)NCc3ccc(OC)cc3)sc2CC1 ZINC001258727762 1044734299 /nfs/dbraw/zinc/73/42/99/1044734299.db2.gz ILFMPEGAWLFFIM-MRXNPFEDSA-N 1 0 399.560 3.837 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C#N)CCc3ccccc3)c2)CC1 ZINC001296013516 1045220824 /nfs/dbraw/zinc/22/08/24/1045220824.db2.gz MQKPLTYQGYPRDK-NRFANRHFSA-N 1 0 390.531 3.928 20 30 GHEDRO C=CC[C@]1(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCCN1C(=O)OC(C)(C)C ZINC001297066178 1045440541 /nfs/dbraw/zinc/44/05/41/1045440541.db2.gz ZOEGNRZIGVMQNE-JOCHJYFZSA-N 1 0 393.572 3.570 20 30 GHEDRO C[NH+](C)C1(Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC#N)CC2)CCCCC1 ZINC001298044115 1045685449 /nfs/dbraw/zinc/68/54/49/1045685449.db2.gz LZJKZUCUBZAVRK-UHFFFAOYSA-N 1 0 395.555 3.668 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1 ZINC001298676875 1045916235 /nfs/dbraw/zinc/91/62/35/1045916235.db2.gz MCVMIHYHZGRGPL-UHFFFAOYSA-N 1 0 397.544 3.809 20 30 GHEDRO CN(C)C(NCc1ccccc1CNC(=O)OC(C)(C)C)=[NH+]Cc1ccccc1 ZINC001261566883 1046026457 /nfs/dbraw/zinc/02/64/57/1046026457.db2.gz IEDPDTJWPUJMDB-UHFFFAOYSA-N 1 0 396.535 3.919 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001300801337 1046169093 /nfs/dbraw/zinc/16/90/93/1046169093.db2.gz NWGQHYSXAWRLLU-WMZHIEFXSA-N 1 0 392.551 3.515 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300808532 1046177676 /nfs/dbraw/zinc/17/76/76/1046177676.db2.gz WKFFICYFJSSPEZ-HSZRJFAPSA-N 1 0 383.584 3.735 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300809010 1046179116 /nfs/dbraw/zinc/17/91/16/1046179116.db2.gz ZQJWYKWQNHKAEB-WIYYLYMNSA-N 1 0 383.565 3.587 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301146127 1046372577 /nfs/dbraw/zinc/37/25/77/1046372577.db2.gz SCUHMLMITVVQFA-ZWKOTPCHSA-N 1 0 382.556 3.559 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccn2C)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001301286187 1046454112 /nfs/dbraw/zinc/45/41/12/1046454112.db2.gz KEWWAUGHDRKPPE-IBGZPJMESA-N 1 0 394.523 3.726 20 30 GHEDRO C=CCn1c(-c2ccc(C[NH+]3CCC(OC)CC3)cc2)nnc1N1CCC[C@@H]1C ZINC001262990740 1046474206 /nfs/dbraw/zinc/47/42/06/1046474206.db2.gz MPQWGIHNCPDQLH-SFHVURJKSA-N 1 0 395.551 3.731 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC001301333975 1046497049 /nfs/dbraw/zinc/49/70/49/1046497049.db2.gz DQMWMRCOYCVFOP-PKOBYXMFSA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc32)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001263278319 1046671431 /nfs/dbraw/zinc/67/14/31/1046671431.db2.gz HPGUOFDNJBBZSZ-HXUWFJFHSA-N 1 0 395.551 3.689 20 30 GHEDRO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001263288279 1046683882 /nfs/dbraw/zinc/68/38/82/1046683882.db2.gz MUKOWHXCFZHWGL-NQIIRXRSSA-N 1 0 395.551 3.630 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3ocnc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001263324861 1046713273 /nfs/dbraw/zinc/71/32/73/1046713273.db2.gz FRQUSLGZUBKJIU-KRWDZBQOSA-N 1 0 394.523 3.831 20 30 GHEDRO CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C#N)[NH+]1CCCC1 ZINC001301958325 1046760583 /nfs/dbraw/zinc/76/05/83/1046760583.db2.gz BAYJZCNNOKJHKX-PXNSSMCTSA-N 1 0 398.530 3.800 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001301965320 1046765273 /nfs/dbraw/zinc/76/52/73/1046765273.db2.gz JRHSFUUEQYPPSU-NQIIRXRSSA-N 1 0 392.551 3.806 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)[C@@H](C#N)c1cccc(F)n1 ZINC001263383229 1046767522 /nfs/dbraw/zinc/76/75/22/1046767522.db2.gz QRKHRPQOKMDBEY-AEFFLSMTSA-N 1 0 381.451 3.964 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001301968460 1046767576 /nfs/dbraw/zinc/76/75/76/1046767576.db2.gz MQDLQGLJKWJBTR-OALUTQOASA-N 1 0 396.583 3.983 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCC[NH+]1CCCCC1 ZINC001301970574 1046768602 /nfs/dbraw/zinc/76/86/02/1046768602.db2.gz HARSXKLJMUIMAP-HXUWFJFHSA-N 1 0 394.567 3.535 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CC1([NH+](C)C)CCCC1 ZINC001301972844 1046770276 /nfs/dbraw/zinc/77/02/76/1046770276.db2.gz ZEPLDOYLXFQQDC-LJQANCHMSA-N 1 0 394.567 3.534 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1cccs1 ZINC001263499971 1046910089 /nfs/dbraw/zinc/91/00/89/1046910089.db2.gz VGZWJHOWRTWVDD-UHFFFAOYSA-N 1 0 398.580 3.545 20 30 GHEDRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001302820600 1047122772 /nfs/dbraw/zinc/12/27/72/1047122772.db2.gz QVVRVSGABAELET-SFHVURJKSA-N 1 0 388.604 3.973 20 30 GHEDRO CC(C)Cc1nnc(N(C)[C@H](C)CC#N)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001302832424 1047130792 /nfs/dbraw/zinc/13/07/92/1047130792.db2.gz JORBAWOEFNLOCB-LJQANCHMSA-N 1 0 394.567 3.663 20 30 GHEDRO CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001303177546 1047305976 /nfs/dbraw/zinc/30/59/76/1047305976.db2.gz UKVZUAPPEDMEBO-RTBURBONSA-N 1 0 395.588 3.841 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(N(Cc2ccc(C#N)cc2)C2CC2)nnc1C(C)(C)C ZINC001303278966 1047341174 /nfs/dbraw/zinc/34/11/74/1047341174.db2.gz WXUUFSNPDCSLIT-UHFFFAOYSA-N 1 0 394.567 3.956 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC2)CC1 ZINC001303308440 1047352924 /nfs/dbraw/zinc/35/29/24/1047352924.db2.gz WWSONMLNDHCLLN-UHFFFAOYSA-N 1 0 378.524 3.537 20 30 GHEDRO C[C@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001303755734 1047505479 /nfs/dbraw/zinc/50/54/79/1047505479.db2.gz YMFMBACUWJUSFF-AVRDEDQJSA-N 1 0 386.588 3.828 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702628318 1047707139 /nfs/dbraw/zinc/70/71/39/1047707139.db2.gz KAADMIDRUGVRMQ-LJQANCHMSA-N 1 0 375.394 3.626 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001279273073 1047752771 /nfs/dbraw/zinc/75/27/71/1047752771.db2.gz REZWPIHAJFMWKL-FQEVSTJZSA-N 1 0 378.948 3.597 20 30 GHEDRO Cc1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001304810755 1047778349 /nfs/dbraw/zinc/77/83/49/1047778349.db2.gz CFMHGTDSEIJUMH-PGRDOPGGSA-N 1 0 392.551 3.627 20 30 GHEDRO N#Cc1ccc(Br)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001279460438 1047816379 /nfs/dbraw/zinc/81/63/79/1047816379.db2.gz VCIUPRVVECRWGG-CALCHBBNSA-N 1 0 388.309 3.552 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001305081678 1047883503 /nfs/dbraw/zinc/88/35/03/1047883503.db2.gz XIWNLYKDLSDJFJ-MSOLQXFVSA-N 1 0 392.551 3.783 20 30 GHEDRO CCCCCCCCNC(=S)N1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001279922966 1047989221 /nfs/dbraw/zinc/98/92/21/1047989221.db2.gz GIWWTJNTRITTBY-NRFANRHFSA-N 1 0 382.662 3.571 20 30 GHEDRO C=CCCCNC(=S)N1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001279936411 1047994851 /nfs/dbraw/zinc/99/48/51/1047994851.db2.gz NLESELRTBITAJQ-QGZVFWFLSA-N 1 0 377.520 3.958 20 30 GHEDRO CCC(CC)[C@@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001305452344 1048064293 /nfs/dbraw/zinc/06/42/93/1048064293.db2.gz XPTUKPFFMKYVFY-VPWXQRGCSA-N 1 0 378.540 3.600 20 30 GHEDRO CCN(C(=O)[C@@H]1CC12CCN(Cc1sc(N)c(C#N)c1Cl)CC2)C(C)C ZINC001280078891 1048072665 /nfs/dbraw/zinc/07/26/65/1048072665.db2.gz QVXOVAHTBYERCA-AWEZNQCLSA-N 1 0 394.972 3.714 20 30 GHEDRO CS[C@@H](C)CC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1cc(C)ccc1C#N ZINC001280224001 1048133884 /nfs/dbraw/zinc/13/38/84/1048133884.db2.gz PFVNQGONQYQASB-DOTOQJQBSA-N 1 0 389.590 3.754 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2CCC[C@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)CCC1 ZINC001280311016 1048174556 /nfs/dbraw/zinc/17/45/56/1048174556.db2.gz RNYWSOQFFAGUGA-MAUKXSAKSA-N 1 0 377.941 3.956 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC001280338433 1048192985 /nfs/dbraw/zinc/19/29/85/1048192985.db2.gz FNHOGNXPVKHHIO-SPLQCWDRSA-N 1 0 392.330 3.870 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001286285461 1048255593 /nfs/dbraw/zinc/25/55/93/1048255593.db2.gz NAEHYXHBXRSHLB-ZWKOTPCHSA-N 1 0 390.535 3.616 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC1CC[NH+](CC)CC1 ZINC001286297861 1048261556 /nfs/dbraw/zinc/26/15/56/1048261556.db2.gz ZRHDWHFNJBDIAL-SFHVURJKSA-N 1 0 397.542 3.588 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001286428214 1048316409 /nfs/dbraw/zinc/31/64/09/1048316409.db2.gz QUGOVDXHBMPEIR-HXUWFJFHSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCSCCn1c(-c2ccccc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286498968 1048338336 /nfs/dbraw/zinc/33/83/36/1048338336.db2.gz GMSFYCQPFUWNFL-UHFFFAOYSA-N 1 0 397.592 3.622 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001286519838 1048346626 /nfs/dbraw/zinc/34/66/26/1048346626.db2.gz MNSUBWGRFBPWLX-WMZHIEFXSA-N 1 0 394.567 3.540 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286546139 1048357443 /nfs/dbraw/zinc/35/74/43/1048357443.db2.gz GOUBTMUGYKPUCP-ZCNNSNEGSA-N 1 0 389.588 3.551 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286579624 1048372679 /nfs/dbraw/zinc/37/26/79/1048372679.db2.gz QGSPMEQUVQUMFO-MJGOQNOKSA-N 1 0 387.528 3.818 20 30 GHEDRO C=C(Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC001286616750 1048389276 /nfs/dbraw/zinc/38/92/76/1048389276.db2.gz BOZGGCWLGKLEKO-IBGZPJMESA-N 1 0 390.535 3.527 20 30 GHEDRO C=C1CCN(c2nnc(C(C)C)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001286636918 1048405072 /nfs/dbraw/zinc/40/50/72/1048405072.db2.gz NQIHHOZOJXBRBF-UHFFFAOYSA-N 1 0 383.540 3.547 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001286643191 1048407812 /nfs/dbraw/zinc/40/78/12/1048407812.db2.gz CYACHMVYFSQGJF-QGZVFWFLSA-N 1 0 397.523 3.561 20 30 GHEDRO C=C1CCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001286647813 1048415078 /nfs/dbraw/zinc/41/50/78/1048415078.db2.gz DCNLYZJIJICMQO-FQEVSTJZSA-N 1 0 379.552 3.704 20 30 GHEDRO C=C1CCN(c2nnc(COCC)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286651033 1048418749 /nfs/dbraw/zinc/41/87/49/1048418749.db2.gz PPYWSDMVAREOEB-FQEVSTJZSA-N 1 0 397.567 3.882 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286650829 1048418845 /nfs/dbraw/zinc/41/88/45/1048418845.db2.gz KNZGGMRFJRFUHH-HXUWFJFHSA-N 1 0 399.514 3.557 20 30 GHEDRO C=CC1CCN(c2nnc(CC)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001286659515 1048426792 /nfs/dbraw/zinc/42/67/92/1048426792.db2.gz SICMZEZTJKRDRS-UHFFFAOYSA-N 1 0 379.552 3.887 20 30 GHEDRO C=CCCCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286698142 1048458875 /nfs/dbraw/zinc/45/88/75/1048458875.db2.gz NIMHNEZWVHWYKK-GOSISDBHSA-N 1 0 394.567 3.925 20 30 GHEDRO C=CCCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286704935 1048463436 /nfs/dbraw/zinc/46/34/36/1048463436.db2.gz KHGCNMCINKQYNT-SOAGJPPSSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286729020 1048486016 /nfs/dbraw/zinc/48/60/16/1048486016.db2.gz KKKHMQBFFZQTKD-LJQANCHMSA-N 1 0 395.507 3.684 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1C[C@H](c1cccs1)[NH+](C)C)C1CC1 ZINC001286733926 1048492044 /nfs/dbraw/zinc/49/20/44/1048492044.db2.gz KJTKNEYQSKXEEI-GOSISDBHSA-N 1 0 396.564 3.803 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001286754628 1048507405 /nfs/dbraw/zinc/50/74/05/1048507405.db2.gz BJDVEVSZOXWKNC-SFHVURJKSA-N 1 0 394.548 3.883 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1CC[NH+]1CCCC1 ZINC001286763299 1048515552 /nfs/dbraw/zinc/51/55/52/1048515552.db2.gz WPTNZQBSJYZCFG-UHFFFAOYSA-N 1 0 379.552 3.877 20 30 GHEDRO C=CCSCCn1c(-c2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286828728 1048538073 /nfs/dbraw/zinc/53/80/73/1048538073.db2.gz AWXMDNKHNDDAKL-IEBWSBKVSA-N 1 0 383.565 3.537 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCCCC[NH+]1CCCCC1 ZINC001286964111 1048556528 /nfs/dbraw/zinc/55/65/28/1048556528.db2.gz BQIGRVQQMCZCSZ-SFHVURJKSA-N 1 0 383.544 3.525 20 30 GHEDRO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CC)C1)[NH+]1CCCC1 ZINC001306364402 1048601634 /nfs/dbraw/zinc/60/16/34/1048601634.db2.gz PERWMDJWKMUPDJ-NQIIRXRSSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C1 ZINC001287237021 1048676190 /nfs/dbraw/zinc/67/61/90/1048676190.db2.gz VMSXJYQUOWBZEH-NRFANRHFSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC001306585742 1048755993 /nfs/dbraw/zinc/75/59/93/1048755993.db2.gz PEZURJHHJZQLHE-BVSLBCMMSA-N 1 0 377.488 3.677 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001287910815 1048943189 /nfs/dbraw/zinc/94/31/89/1048943189.db2.gz BUGKKBNYJIDULV-AZUAARDMSA-N 1 0 378.524 3.536 20 30 GHEDRO C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001288632408 1049172298 /nfs/dbraw/zinc/17/22/98/1049172298.db2.gz XLMJWGXAADFXAK-OPAMFIHVSA-N 1 0 391.523 3.507 20 30 GHEDRO C[N@H+](Cc1cccc(Br)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307426762 1049264396 /nfs/dbraw/zinc/26/43/96/1049264396.db2.gz DTTDFCQVLKJVQK-LJQANCHMSA-N 1 0 398.304 3.948 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC001307511487 1049354077 /nfs/dbraw/zinc/35/40/77/1049354077.db2.gz OBKJCYHUSZZVCY-XLIONFOSSA-N 1 0 387.524 3.952 20 30 GHEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC001307611939 1049450000 /nfs/dbraw/zinc/45/00/00/1049450000.db2.gz TXHFICIPKDCQJG-QFIPXVFZSA-N 1 0 390.458 3.946 20 30 GHEDRO Cc1cc(Cn2c(C3CCC3)nnc2N(C)[C@H](C)CC#N)cc(N2CCCC2)[nH+]1 ZINC001289399334 1049466560 /nfs/dbraw/zinc/46/65/60/1049466560.db2.gz YMJGJZLAMIFSLR-QGZVFWFLSA-N 1 0 393.539 3.636 20 30 GHEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C ZINC001307637797 1049467508 /nfs/dbraw/zinc/46/75/08/1049467508.db2.gz UHLQKZJGGMJYAD-OAQYLSRUSA-N 1 0 393.531 3.875 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C)c(F)c1 ZINC001307640317 1049468698 /nfs/dbraw/zinc/46/86/98/1049468698.db2.gz YCOBPDRVKZRCCK-FQEVSTJZSA-N 1 0 391.450 3.871 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1Cl ZINC001307650015 1049476700 /nfs/dbraw/zinc/47/67/00/1049476700.db2.gz RERSUVMDRFGXDB-OAQYLSRUSA-N 1 0 397.906 3.813 20 30 GHEDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CC1 ZINC001307668530 1049490384 /nfs/dbraw/zinc/49/03/84/1049490384.db2.gz LUAUSOMNBXSHNF-HXUWFJFHSA-N 1 0 394.471 3.577 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC001307669178 1049492372 /nfs/dbraw/zinc/49/23/72/1049492372.db2.gz VOPZBYDONLDXPG-VQTJNVASSA-N 1 0 378.497 3.933 20 30 GHEDRO Cc1ccc([C@H](Cn2c(C3CC3)nnc2N2CCC[C@@](C)(C#N)C2)[NH+](C)C)cc1 ZINC001289482041 1049508550 /nfs/dbraw/zinc/50/85/50/1049508550.db2.gz JBFGQEULGPYLKI-REWPJTCUSA-N 1 0 392.551 3.897 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001289569286 1049545929 /nfs/dbraw/zinc/54/59/29/1049545929.db2.gz WHICCQFAFLXMQX-GOSISDBHSA-N 1 0 398.555 3.953 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC001307764035 1049576566 /nfs/dbraw/zinc/57/65/66/1049576566.db2.gz VLPWHVAEIQZFCK-CUWPLCDZSA-N 1 0 380.488 3.780 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001307808976 1049605840 /nfs/dbraw/zinc/60/58/40/1049605840.db2.gz VSUJLPGMNNMIJC-QKDPSFTKSA-N 1 0 390.616 3.894 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001307834886 1049622894 /nfs/dbraw/zinc/62/28/94/1049622894.db2.gz PXEYCSMGPHACFB-GOSISDBHSA-N 1 0 386.442 3.531 20 30 GHEDRO CC[N@H+](CCOc1ccccc1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307862750 1049644919 /nfs/dbraw/zinc/64/49/19/1049644919.db2.gz WVNAPMSMWXCMHI-NRFANRHFSA-N 1 0 377.488 3.763 20 30 GHEDRO N#Cc1cccc2c1CN(CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001307893601 1049671963 /nfs/dbraw/zinc/67/19/63/1049671963.db2.gz SWDQLJDYXNBZCK-UHFFFAOYSA-N 1 0 380.923 3.740 20 30 GHEDRO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001308021856 1049772587 /nfs/dbraw/zinc/77/25/87/1049772587.db2.gz STRGRSNWACKQNU-UHFFFAOYSA-N 1 0 379.932 3.814 20 30 GHEDRO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001308113027 1049857573 /nfs/dbraw/zinc/85/75/73/1049857573.db2.gz APTYLSBBWYQMFV-GOSISDBHSA-N 1 0 391.515 3.966 20 30 GHEDRO CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001308125097 1049869697 /nfs/dbraw/zinc/86/96/97/1049869697.db2.gz ROEIJKGXMNZCMW-RKDXNWHRSA-N 1 0 397.306 3.821 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC001308145973 1049883658 /nfs/dbraw/zinc/88/36/58/1049883658.db2.gz SAHSMKIOUSKNRT-KGLIPLIRSA-N 1 0 385.899 3.886 20 30 GHEDRO CC(C)c1[nH+]c(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)c2ccccn21 ZINC001308293555 1049940072 /nfs/dbraw/zinc/94/00/72/1049940072.db2.gz UKJHCVVLCUZWST-UHFFFAOYSA-N 1 0 389.503 3.903 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001308298344 1049942265 /nfs/dbraw/zinc/94/22/65/1049942265.db2.gz XFDDWDLJHBHWED-QGZVFWFLSA-N 1 0 388.389 3.613 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc3c(C#N)c[nH]c3c2)cc1 ZINC001290910452 1049951143 /nfs/dbraw/zinc/95/11/43/1049951143.db2.gz FGSMVZOISRDWSN-UHFFFAOYSA-N 1 0 390.487 3.690 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc(OC)c1O ZINC001308368153 1049960127 /nfs/dbraw/zinc/96/01/27/1049960127.db2.gz QFQNLALOXPOJLM-UHFFFAOYSA-N 1 0 388.471 3.691 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1)C1CC1 ZINC001308773828 1050089208 /nfs/dbraw/zinc/08/92/08/1050089208.db2.gz OANYRGJKENYAKT-UHFFFAOYSA-N 1 0 383.444 3.642 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(F)cc1 ZINC001327532600 1050207771 /nfs/dbraw/zinc/20/77/71/1050207771.db2.gz WWVMKEUZEKXSED-MJGOQNOKSA-N 1 0 375.394 3.834 20 30 GHEDRO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]Cc1cccc(OCC#N)c1 ZINC001327977634 1050344043 /nfs/dbraw/zinc/34/40/43/1050344043.db2.gz IPIJVIGHIRDILU-FQEVSTJZSA-N 1 0 382.504 3.724 20 30 GHEDRO CC[NH+](CC)CC[C@@H](NS(=O)(=O)c1ccc(C)cc1C#N)c1ccccc1 ZINC001309950781 1051069553 /nfs/dbraw/zinc/06/95/53/1051069553.db2.gz GQOJEUJNHVPJCN-HXUWFJFHSA-N 1 0 385.533 3.618 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)c2)nc1 ZINC001310350564 1051301783 /nfs/dbraw/zinc/30/17/83/1051301783.db2.gz JZQLKEPYMCTBEQ-LJQANCHMSA-N 1 0 391.475 3.884 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001310573686 1051457921 /nfs/dbraw/zinc/45/79/21/1051457921.db2.gz ZYSUTJQSDONCCR-UHFFFAOYSA-N 1 0 377.488 3.657 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cnn2ccccc12 ZINC001332446180 1051523052 /nfs/dbraw/zinc/52/30/52/1051523052.db2.gz HIBWDGBXRKDCBK-KRWDZBQOSA-N 1 0 397.523 3.743 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Nc2cc(CC#N)ccn2)C1 ZINC001311074922 1051828975 /nfs/dbraw/zinc/82/89/75/1051828975.db2.gz USGJPYOHIXZJHF-HDICACEKSA-N 1 0 391.519 3.947 20 30 GHEDRO OC1CCC(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC001335156802 1052043930 /nfs/dbraw/zinc/04/39/30/1052043930.db2.gz TZSNBJQBEILWEH-HWACXVBKSA-N 1 0 381.307 3.640 20 30 GHEDRO C#C[C@H](NC(=O)NCc1ccccc1OCC[NH+](CC)CC)c1ccccc1 ZINC001311355347 1052052374 /nfs/dbraw/zinc/05/23/74/1052052374.db2.gz BJTBHSBLUNYBBF-NRFANRHFSA-N 1 0 379.504 3.581 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC001336817414 1052342428 /nfs/dbraw/zinc/34/24/28/1052342428.db2.gz DPEYKVGNBBLQTG-CTNGQTDRSA-N 1 0 398.551 3.679 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC001337309367 1052445273 /nfs/dbraw/zinc/44/52/73/1052445273.db2.gz HWIPMLUPDBLUHL-GFCCVEGCSA-N 1 0 379.357 3.797 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1ccc(Br)cc1 ZINC001312937327 1052915660 /nfs/dbraw/zinc/91/56/60/1052915660.db2.gz PCQNKBGVKICTJI-QZTJIDSGSA-N 1 0 392.341 3.543 20 30 GHEDRO C#C[C@H](NC(=O)NC(C)(C)C[N@@H+](C)CCC)c1ccc(Br)cc1 ZINC001312937374 1052916153 /nfs/dbraw/zinc/91/61/53/1052916153.db2.gz PQUDNHIZXAPPLK-INIZCTEOSA-N 1 0 380.330 3.543 20 30 GHEDRO CC(C)[NH+]1CCC(CCNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001313093020 1052955573 /nfs/dbraw/zinc/95/55/73/1052955573.db2.gz VFCSGWKLRMOYJR-UHFFFAOYSA-N 1 0 382.552 3.958 20 30 GHEDRO CC[NH+](CC)[C@H](Cn1c(C2CC2)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 ZINC001313673472 1053163802 /nfs/dbraw/zinc/16/38/02/1053163802.db2.gz RUNBOYDRGCRFAA-MAUKXSAKSA-N 1 0 386.569 3.896 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001313728155 1053192725 /nfs/dbraw/zinc/19/27/25/1053192725.db2.gz PWEHQEUPUCPVSU-LJQANCHMSA-N 1 0 394.567 3.534 20 30 GHEDRO CC[NH+]1CCC(CCn2c(-c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001313882318 1053270120 /nfs/dbraw/zinc/27/01/20/1053270120.db2.gz ZOTDOTAWODYKCP-QFIPXVFZSA-N 1 0 396.514 3.509 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)C1 ZINC001313887426 1053271435 /nfs/dbraw/zinc/27/14/35/1053271435.db2.gz DBXWRVYEOVYSHW-NSHGMRRFSA-N 1 0 392.551 3.783 20 30 GHEDRO C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001342791073 1053357231 /nfs/dbraw/zinc/35/72/31/1053357231.db2.gz LKCAIHNNORIWOO-QGZVFWFLSA-N 1 0 381.515 3.754 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1CCC[NH+]1CCCCC1 ZINC001314728587 1053579911 /nfs/dbraw/zinc/57/99/11/1053579911.db2.gz ABLDTMHIXUAVCG-UHFFFAOYSA-N 1 0 392.551 3.930 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001343404567 1053753054 /nfs/dbraw/zinc/75/30/54/1053753054.db2.gz JLTYHWUONCKEAP-QHCPKHFHSA-N 1 0 397.567 3.645 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC001343483352 1053800156 /nfs/dbraw/zinc/80/01/56/1053800156.db2.gz DZKVRZKNSMWJOI-OALUTQOASA-N 1 0 388.284 3.995 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001343554856 1053874071 /nfs/dbraw/zinc/87/40/71/1053874071.db2.gz VMPMIPLSCVNETH-MSOLQXFVSA-N 1 0 377.577 3.898 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001343556179 1053875158 /nfs/dbraw/zinc/87/51/58/1053875158.db2.gz AJRMMAIZOQZLAC-IEBWSBKVSA-N 1 0 398.942 3.537 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@@H]([NH+]3CCCC3)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001343732811 1053990463 /nfs/dbraw/zinc/99/04/63/1053990463.db2.gz LKAZXQJYVYKLCH-AUSIDOKSSA-N 1 0 394.567 3.644 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)C(C)(C)O)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001343758805 1054002442 /nfs/dbraw/zinc/00/24/42/1054002442.db2.gz GHLQAWBWPUGEFO-GOSISDBHSA-N 1 0 391.604 3.677 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)c(C#N)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001343871592 1054081650 /nfs/dbraw/zinc/08/16/50/1054081650.db2.gz DPLDSNDHYFVWSG-UHFFFAOYSA-N 1 0 378.524 3.668 20 30 GHEDRO C=CCn1cnn(CN(CCC)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1=S ZINC001318181606 1054479525 /nfs/dbraw/zinc/47/95/25/1054479525.db2.gz FWPATKVZVAWRAU-FQEVSTJZSA-N 1 0 385.581 3.934 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001318317289 1054563867 /nfs/dbraw/zinc/56/38/67/1054563867.db2.gz QPZTZVNLXOWMIK-QGZVFWFLSA-N 1 0 379.435 3.800 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2-c2noc(C3CC3)n2)CC1 ZINC001344864983 1054776751 /nfs/dbraw/zinc/77/67/51/1054776751.db2.gz BWKSPAFSTRYYLD-UHFFFAOYSA-N 1 0 381.480 3.776 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C3CCCC3)n2C[C@H]2CCOC2)CC1 ZINC001345220679 1054946228 /nfs/dbraw/zinc/94/62/28/1054946228.db2.gz SZDDSURNLQPFRB-CTNGQTDRSA-N 1 0 399.583 3.941 20 30 GHEDRO C=CCC[C@H](NC(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC001319313092 1055176287 /nfs/dbraw/zinc/17/62/87/1055176287.db2.gz LDRHZOAUEWPXTC-QFIPXVFZSA-N 1 0 392.547 3.945 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319482095 1055274547 /nfs/dbraw/zinc/27/45/47/1055274547.db2.gz QRPHVMTVRMRQBF-CTNGQTDRSA-N 1 0 383.467 3.635 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1)CC1CC1 ZINC001319996795 1055586906 /nfs/dbraw/zinc/58/69/06/1055586906.db2.gz MGJPRAFUESWDDK-UHFFFAOYSA-N 1 0 398.551 3.633 20 30 GHEDRO C=CCO[C@@H]1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001320321618 1055753312 /nfs/dbraw/zinc/75/33/12/1055753312.db2.gz NZXQESHYPNPKBN-CQSZACIVSA-N 1 0 382.489 3.507 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC001320689719 1055929285 /nfs/dbraw/zinc/92/92/85/1055929285.db2.gz IRUOGWCDXLVZNJ-OAQYLSRUSA-N 1 0 381.472 3.829 20 30 GHEDRO C=CCO[C@@H]1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899746 1056005808 /nfs/dbraw/zinc/00/58/08/1056005808.db2.gz WIEPQFPIVYPABH-TZMCWYRMSA-N 1 0 393.459 3.692 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300449340 1056127421 /nfs/dbraw/zinc/12/74/21/1056127421.db2.gz QRTODTFODXSBGW-LJQANCHMSA-N 1 0 390.535 3.539 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001321729668 1056377231 /nfs/dbraw/zinc/37/72/31/1056377231.db2.gz OUACMZIETHBLSL-RBUKOAKNSA-N 1 0 386.858 3.595 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)C1 ZINC001354158638 1056381671 /nfs/dbraw/zinc/38/16/71/1056381671.db2.gz QSBCQLFLUDEHTO-FQEVSTJZSA-N 1 0 394.567 3.686 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCC#C[Si](C)(C)C ZINC001300588271 1056561324 /nfs/dbraw/zinc/56/13/24/1056561324.db2.gz IFGQQECWNFZDLT-LJQANCHMSA-N 1 0 386.612 3.941 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300613682 1056658444 /nfs/dbraw/zinc/65/84/44/1056658444.db2.gz MROBEEHCULNCHN-PMACEKPBSA-N 1 0 379.552 3.773 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](O)c1ccccc1F ZINC001200803533 1056966757 /nfs/dbraw/zinc/96/67/57/1056966757.db2.gz UHLWYIQTFRVSRI-DHIUTWEWSA-N 1 0 381.495 3.764 20 30 GHEDRO Cc1cc(Br)cn2c(C[NH2+]Cc3cccc(OCC#N)c3)cnc12 ZINC001323729189 1057005633 /nfs/dbraw/zinc/00/56/33/1057005633.db2.gz KWXXEAHDJHGNCQ-UHFFFAOYSA-N 1 0 385.265 3.597 20 30 GHEDRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492495912 1057030999 /nfs/dbraw/zinc/03/09/99/1057030999.db2.gz IMBVKXYPPPGPLT-OALUTQOASA-N 1 0 395.555 3.651 20 30 GHEDRO O=S(=O)(Nc1ccccc1)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848404504 1057068734 /nfs/dbraw/zinc/06/87/34/1057068734.db2.gz SEUXLXNYIVXLJB-OAQYLSRUSA-N 1 0 398.532 3.904 20 30 GHEDRO FC(F)(F)c1cc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)nc(-c2ccccn2)n1 ZINC000848405998 1057069319 /nfs/dbraw/zinc/06/93/19/1057069319.db2.gz GMPIIBYFGBLHQY-HNNXBMFYSA-N 1 0 390.413 3.974 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC001324115037 1057073680 /nfs/dbraw/zinc/07/36/80/1057073680.db2.gz YKFJNZUZCUQBSY-FVRICEFQSA-N 1 0 381.520 3.990 20 30 GHEDRO C=CC[C@@H]1N(c2nnc([C@H]3CCC[N@@H+]3C3CCOCC3)n2C)CCCC1(C)C ZINC001355308524 1057113930 /nfs/dbraw/zinc/11/39/30/1057113930.db2.gz BCPOICOBOPTNJW-MOPGFXCFSA-N 1 0 387.572 3.702 20 30 GHEDRO COC(=O)COc1c(C)cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1C ZINC000848568746 1057185296 /nfs/dbraw/zinc/18/52/96/1057185296.db2.gz QAVMGAHFWBSNHY-UHFFFAOYSA-N 1 0 378.472 3.896 20 30 GHEDRO N#CCCCC[C@H](N)c1nc(Cc2ccc(OCc3ccccn3)cc2)no1 ZINC000848624147 1057211997 /nfs/dbraw/zinc/21/19/97/1057211997.db2.gz KHMSFYNWVHUQNQ-IBGZPJMESA-N 1 0 377.448 3.718 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1 ZINC001324743845 1057217204 /nfs/dbraw/zinc/21/72/04/1057217204.db2.gz MBGYYXNJEDYYAA-HXUWFJFHSA-N 1 0 389.499 3.628 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001356052878 1057370388 /nfs/dbraw/zinc/37/03/88/1057370388.db2.gz CLLBXDFMGAUDNI-FYZZASKESA-N 1 0 390.535 3.580 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001356107026 1057391582 /nfs/dbraw/zinc/39/15/82/1057391582.db2.gz HVCYACZNWVYMIW-MJGOQNOKSA-N 1 0 375.561 3.510 20 30 GHEDRO N#Cc1cccc2c1CCCN2C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC001326332780 1057458147 /nfs/dbraw/zinc/45/81/47/1057458147.db2.gz IXIPKGGKPWRHKL-NRFANRHFSA-N 1 0 377.513 3.628 20 30 GHEDRO c1ccc(NC(=[NH+]Cc2ccncc2OC[C@H]2CCOC2)N2CCCCC2)cc1 ZINC000849077325 1057583665 /nfs/dbraw/zinc/58/36/65/1057583665.db2.gz CBVWQMNSFKUGPY-IBGZPJMESA-N 1 0 394.519 3.951 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)CC2)c1 ZINC001327281381 1057632329 /nfs/dbraw/zinc/63/23/29/1057632329.db2.gz BWXJISIOVQDSIO-LEWJYISDSA-N 1 0 380.536 3.744 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC001338925553 1058885963 /nfs/dbraw/zinc/88/59/63/1058885963.db2.gz LGITXVWZYIOEFK-UHFFFAOYSA-N 1 0 377.463 3.826 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@]1(C#N)CCCOC1)c1ccc(C(F)(F)F)cc1 ZINC001442302062 1058946001 /nfs/dbraw/zinc/94/60/01/1058946001.db2.gz AAWJDSBWSBRQFW-MJGOQNOKSA-N 1 0 397.441 3.525 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001339141241 1058979039 /nfs/dbraw/zinc/97/90/39/1058979039.db2.gz XIVDDLFWDXSMAF-VNTMZGSJSA-N 1 0 387.572 3.508 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)CC1 ZINC001443521956 1059141249 /nfs/dbraw/zinc/14/12/49/1059141249.db2.gz UDCWGBQGKIJUNP-FQEVSTJZSA-N 1 0 393.890 3.519 20 30 GHEDRO C=CCn1c(CSC(F)(F)F)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001339483551 1059247034 /nfs/dbraw/zinc/24/70/34/1059247034.db2.gz KACUPJPLRANDDO-UHFFFAOYSA-N 1 0 377.480 3.528 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)C3C[NH+](C4CCCCC4)C3)c2)nc1 ZINC001444607206 1059347437 /nfs/dbraw/zinc/34/74/37/1059347437.db2.gz JLDATCQSELGUJM-UHFFFAOYSA-N 1 0 376.460 3.949 20 30 GHEDRO CCn1c(CC(C)(C)C#N)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001339623708 1059352839 /nfs/dbraw/zinc/35/28/39/1059352839.db2.gz RBHWQVPOLXVIJY-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO C=CCn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001339775817 1059461177 /nfs/dbraw/zinc/46/11/77/1059461177.db2.gz ZVMLOKMDEFRVGL-UZLBHIALSA-N 1 0 387.478 3.893 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001340205379 1059763296 /nfs/dbraw/zinc/76/32/96/1059763296.db2.gz NIFKFFVDUJRESM-UGKGYDQZSA-N 1 0 385.556 3.551 20 30 GHEDRO C=CCn1c(CCCC#N)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001340297101 1059837010 /nfs/dbraw/zinc/83/70/10/1059837010.db2.gz JKRCXEDBURKZBU-LJQANCHMSA-N 1 0 384.572 3.791 20 30 GHEDRO CC[C@H](Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001545996717 1059972493 /nfs/dbraw/zinc/97/24/93/1059972493.db2.gz CJVONLCNVYLWEO-PZJWPPBQSA-N 1 0 394.567 3.790 20 30 GHEDRO CCn1c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001340969147 1060296236 /nfs/dbraw/zinc/29/62/36/1060296236.db2.gz HEYWWRLUOYFKIB-HMXCVIKNSA-N 1 0 392.551 3.664 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001449380973 1060394124 /nfs/dbraw/zinc/39/41/24/1060394124.db2.gz BVAGCIVTXFEAPL-VQTJNVASSA-N 1 0 397.604 3.678 20 30 GHEDRO CCn1c(CC(C)(C)C#N)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001341167376 1060467081 /nfs/dbraw/zinc/46/70/81/1060467081.db2.gz VGDMWZXLSMFESK-UYAOXDASSA-N 1 0 394.567 3.880 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001341780249 1060886807 /nfs/dbraw/zinc/88/68/07/1060886807.db2.gz HAINJCZVEUTPSV-MOPGFXCFSA-N 1 0 389.588 3.636 20 30 GHEDRO N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001341929603 1060955601 /nfs/dbraw/zinc/95/56/01/1060955601.db2.gz IHJZAGYJZBDYJC-GOSISDBHSA-N 1 0 395.890 3.900 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001342171817 1061103228 /nfs/dbraw/zinc/10/32/28/1061103228.db2.gz GVMRYTQQGVLXOT-SESVDKBCSA-N 1 0 390.535 3.582 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[N@@H+](C)CCC)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001342190161 1061118928 /nfs/dbraw/zinc/11/89/28/1061118928.db2.gz VHCBVYLMGNRJCO-AUSIDOKSSA-N 1 0 396.583 3.748 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342218227 1061143923 /nfs/dbraw/zinc/14/39/23/1061143923.db2.gz SXIRZHSKMVMVIH-SCTDSRPQSA-N 1 0 389.613 3.601 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001342259573 1061182815 /nfs/dbraw/zinc/18/28/15/1061182815.db2.gz PUGILJBEQPTNID-RKVPGOIHSA-N 1 0 398.382 3.684 20 30 GHEDRO C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001346162521 1061418479 /nfs/dbraw/zinc/41/84/79/1061418479.db2.gz BWVIBOCEKBRVLH-OALUTQOASA-N 1 0 397.567 3.743 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C(F)(F)F)[nH]2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001346173764 1061428105 /nfs/dbraw/zinc/42/81/05/1061428105.db2.gz HBHFNMXBKXOXNN-UHFFFAOYSA-N 1 0 396.461 3.835 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001346228839 1061465750 /nfs/dbraw/zinc/46/57/50/1061465750.db2.gz NBPAMGSHSRELNI-IPMKNSEASA-N 1 0 387.572 3.590 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001346719109 1061821878 /nfs/dbraw/zinc/82/18/78/1061821878.db2.gz WGYSNANSHWIMCX-IBGZPJMESA-N 1 0 382.556 3.701 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC001454541889 1061824518 /nfs/dbraw/zinc/82/45/18/1061824518.db2.gz QCFFCPRDEHJTBX-GOSISDBHSA-N 1 0 375.394 3.539 20 30 GHEDRO N#Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)ccc1Cl ZINC001545714101 1061966745 /nfs/dbraw/zinc/96/67/45/1061966745.db2.gz MGROLAOMBDECLU-UHFFFAOYSA-N 1 0 383.879 3.668 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001456062142 1062457599 /nfs/dbraw/zinc/45/75/99/1062457599.db2.gz AGKFGCSUOOHDAL-UHFFFAOYSA-N 1 0 384.549 3.807 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001437217640 1063786248 /nfs/dbraw/zinc/78/62/48/1063786248.db2.gz TYODUKRIBBOQRM-FGZHOGPDSA-N 1 0 389.499 3.884 20 30 GHEDRO CCC1([NH+]2CCOCC2)CCN(c2ccc(C#N)c(Br)c2F)CC1 ZINC001458511303 1063857251 /nfs/dbraw/zinc/85/72/51/1063857251.db2.gz CIYXJFKXVQJSMO-UHFFFAOYSA-N 1 0 396.304 3.541 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3cc(C(F)(F)F)cc(C#N)n3)cc2F)CC1 ZINC001458544632 1063881474 /nfs/dbraw/zinc/88/14/74/1063881474.db2.gz FKQGGYNRYJXGJC-UHFFFAOYSA-N 1 0 393.388 3.997 20 30 GHEDRO C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CCN1c1cc[nH+]cc1 ZINC001458561094 1063892438 /nfs/dbraw/zinc/89/24/38/1063892438.db2.gz OFAOILFTEJYLBV-GFCCVEGCSA-N 1 0 383.377 3.634 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H](C)C2CC2)cc1 ZINC001459343291 1064068322 /nfs/dbraw/zinc/06/83/22/1064068322.db2.gz AIZBVYLVYADSHO-LAUBAEHRSA-N 1 0 380.488 3.607 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@H](C)C2CC2)cc1 ZINC001459343290 1064068957 /nfs/dbraw/zinc/06/89/57/1064068957.db2.gz AIZBVYLVYADSHO-DYESRHJHSA-N 1 0 380.488 3.607 20 30 GHEDRO COc1ccccc1N1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)CC(C)C)C1=O ZINC001459385220 1064081876 /nfs/dbraw/zinc/08/18/76/1064081876.db2.gz XBXSXPOCKMJCJS-OAQYLSRUSA-N 1 0 377.488 3.830 20 30 GHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC001459549442 1064124966 /nfs/dbraw/zinc/12/49/66/1064124966.db2.gz KWVTXCPSCUWERY-NRFANRHFSA-N 1 0 384.545 3.984 20 30 GHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC001438881317 1064131001 /nfs/dbraw/zinc/13/10/01/1064131001.db2.gz HQZFPOWKKGIOJO-QFIPXVFZSA-N 1 0 391.515 3.717 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001459635199 1064151851 /nfs/dbraw/zinc/15/18/51/1064151851.db2.gz TXTGPEPYGCUXIJ-SSGKUCQKSA-N 1 0 384.564 3.878 20 30 GHEDRO C[C@]12CN(C(=O)CSc3ccc(C#N)cc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001439109714 1064176875 /nfs/dbraw/zinc/17/68/75/1064176875.db2.gz FYBAOSNHFLYYAR-OFNKIYASSA-N 1 0 391.540 3.631 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C#N)c(Cl)n1 ZINC001350848151 1064202309 /nfs/dbraw/zinc/20/23/09/1064202309.db2.gz CCRTTXZPXNUZNW-UHFFFAOYSA-N 1 0 396.882 3.550 20 30 GHEDRO Cc1ccc(N(C)[C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC001459811252 1064227836 /nfs/dbraw/zinc/22/78/36/1064227836.db2.gz BAKJEICPPUAKGS-DHIUTWEWSA-N 1 0 388.515 3.573 20 30 GHEDRO CCC[C@@H]1CN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459820268 1064231615 /nfs/dbraw/zinc/23/16/15/1064231615.db2.gz PQISWJPPVITFJN-DHIUTWEWSA-N 1 0 391.515 3.759 20 30 GHEDRO CCC[C@H]1CN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459820276 1064232478 /nfs/dbraw/zinc/23/24/78/1064232478.db2.gz PQISWJPPVITFJN-XZOQPEGZSA-N 1 0 391.515 3.759 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)CC1 ZINC001351109330 1064268080 /nfs/dbraw/zinc/26/80/80/1064268080.db2.gz MBHLQFMTZYYBKB-UHFFFAOYSA-N 1 0 393.487 3.590 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(CCCC#N)n2CC2CC2)C1 ZINC001351358020 1064401226 /nfs/dbraw/zinc/40/12/26/1064401226.db2.gz BEQVNNUITGNJBI-QUCCMNQESA-N 1 0 384.572 3.625 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001351452674 1064454319 /nfs/dbraw/zinc/45/43/19/1064454319.db2.gz KTVVFCCAVAYTRJ-GOSISDBHSA-N 1 0 384.528 3.520 20 30 GHEDRO C[C@@H]1CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCCCC2)O1 ZINC000847103862 1064708275 /nfs/dbraw/zinc/70/82/75/1064708275.db2.gz GKDBEUGJBFYKQU-SJLPKXTDSA-N 1 0 390.487 3.647 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000847207671 1064900776 /nfs/dbraw/zinc/90/07/76/1064900776.db2.gz ZRVVTRBECUHYJR-MDWZMJQESA-N 1 0 389.499 3.707 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(Cc2ccc(Br)cc2)cs1 ZINC001464300198 1064947524 /nfs/dbraw/zinc/94/75/24/1064947524.db2.gz QKLLPRZXTFUTRX-UHFFFAOYSA-N 1 0 394.338 3.943 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C[C@H]2C1 ZINC001352773943 1065298589 /nfs/dbraw/zinc/29/85/89/1065298589.db2.gz GKIDWZMPGIKGJB-TXTKFYIRSA-N 1 0 388.515 3.675 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001465221305 1065471702 /nfs/dbraw/zinc/47/17/02/1065471702.db2.gz WYYINPBEADDKRQ-LJQANCHMSA-N 1 0 393.491 3.987 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001465375187 1065574340 /nfs/dbraw/zinc/57/43/40/1065574340.db2.gz SDNDNEKAZPQUPM-BZSNNMDCSA-N 1 0 381.561 3.567 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492557129 1065657904 /nfs/dbraw/zinc/65/79/04/1065657904.db2.gz APIWOESWVKHSFZ-RBUKOAKNSA-N 1 0 394.567 3.971 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1OCCC[N@@H+](C)C1CCCC1 ZINC001465564853 1065719287 /nfs/dbraw/zinc/71/92/87/1065719287.db2.gz UCYZRVRLIRRZJG-UHFFFAOYSA-N 1 0 394.519 3.768 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[NH+](CC)CC ZINC001300273720 1065903217 /nfs/dbraw/zinc/90/32/17/1065903217.db2.gz RHPHMYUOSFUNFA-SFHVURJKSA-N 1 0 381.568 3.924 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001300280418 1065915313 /nfs/dbraw/zinc/91/53/13/1065915313.db2.gz DFISUASXZAQVMG-BEFAXECRSA-N 1 0 395.482 3.746 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300294882 1065944655 /nfs/dbraw/zinc/94/46/55/1065944655.db2.gz ALUZMVFADJEWOK-HSALFYBXSA-N 1 0 394.567 3.556 20 30 GHEDRO Cc1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000847746071 1066017795 /nfs/dbraw/zinc/01/77/95/1066017795.db2.gz XTBIIXLFUDUBOB-UHFFFAOYSA-N 1 0 393.443 3.866 20 30 GHEDRO N#CC1(COC(=O)Cc2ccc3c(c2)COC3)CC[NH+](Cc2ccccc2)CC1 ZINC000847747672 1066021319 /nfs/dbraw/zinc/02/13/19/1066021319.db2.gz MRLOUGVGPMCHCI-UHFFFAOYSA-N 1 0 390.483 3.608 20 30 GHEDRO C=CCC1(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000847746886 1066026804 /nfs/dbraw/zinc/02/68/04/1066026804.db2.gz RGUNVBKUBFVZGD-UHFFFAOYSA-N 1 0 382.504 3.708 20 30 GHEDRO CNc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc(Cl)n1 ZINC000847748499 1066029266 /nfs/dbraw/zinc/02/92/66/1066029266.db2.gz AWGYQGXAARHMDP-UHFFFAOYSA-N 1 0 398.894 3.739 20 30 GHEDRO Cc1ncc(/C=C/C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000847749036 1066038116 /nfs/dbraw/zinc/03/81/16/1066038116.db2.gz MDJQSLSGIYYMOK-BQYQJAHWSA-N 1 0 381.501 3.814 20 30 GHEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001300347124 1066061434 /nfs/dbraw/zinc/06/14/34/1066061434.db2.gz AHBSVLYTZHTBHQ-SIKLNZKXSA-N 1 0 391.563 3.984 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC001466412031 1066139155 /nfs/dbraw/zinc/13/91/55/1066139155.db2.gz XUZXFLVWXIRKSL-UHFFFAOYSA-N 1 0 387.915 3.726 20 30 GHEDRO C#CCN(C)c1nnc(C(C)(C)C)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300432684 1066316403 /nfs/dbraw/zinc/31/64/03/1066316403.db2.gz NQJLHYLODAKJHY-AEFFLSMTSA-N 1 0 385.581 3.790 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3cc(C)cc(C#N)c3)CC2)c1 ZINC001466836598 1066345600 /nfs/dbraw/zinc/34/56/00/1066345600.db2.gz CAPUUHINFAMOBC-UHFFFAOYSA-N 1 0 391.519 3.509 20 30 GHEDRO Cc1ccc(C#N)cc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001357617248 1067196838 /nfs/dbraw/zinc/19/68/38/1067196838.db2.gz BMHXJACLTUBRAM-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC001467582620 1067370957 /nfs/dbraw/zinc/37/09/57/1067370957.db2.gz NXFJSVNQLNAGIH-BHIYHBOVSA-N 1 0 389.540 3.741 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2ccc(F)c(F)c2C1)C(C)C ZINC001467660160 1067404862 /nfs/dbraw/zinc/40/48/62/1067404862.db2.gz JMKZWGGALJTODW-LJQANCHMSA-N 1 0 377.479 3.731 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC001467727477 1067439423 /nfs/dbraw/zinc/43/94/23/1067439423.db2.gz IEMKUUYPGZNOLW-CQSZACIVSA-N 1 0 385.371 3.896 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC001467872722 1067509196 /nfs/dbraw/zinc/50/91/96/1067509196.db2.gz YANQBJQRVIJPQG-IBGZPJMESA-N 1 0 375.516 3.899 20 30 GHEDRO C#CCC1([NH2+]CC(=O)NCCOc2cccc(C(F)(F)F)c2)CCCCC1 ZINC001473825552 1067576751 /nfs/dbraw/zinc/57/67/51/1067576751.db2.gz XLQAROHLJYIGQI-UHFFFAOYSA-N 1 0 382.426 3.516 20 30 GHEDRO C#CCCCCn1c(CC)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001358913044 1067610193 /nfs/dbraw/zinc/61/01/93/1067610193.db2.gz DRQSSLPUUROIIR-LJQANCHMSA-N 1 0 395.551 3.536 20 30 GHEDRO C#CCCCn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001358920398 1067613413 /nfs/dbraw/zinc/61/34/13/1067613413.db2.gz YGKHZIOHSYSYQV-IBGZPJMESA-N 1 0 379.552 3.836 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001358950714 1067627423 /nfs/dbraw/zinc/62/74/23/1067627423.db2.gz WJVQCZMJWGYBIC-FQEVSTJZSA-N 1 0 399.970 3.856 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001358993930 1067639482 /nfs/dbraw/zinc/63/94/82/1067639482.db2.gz ACIOZTSLTLECNE-FQEVSTJZSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCC[NH+](C(C)C)C(C)C ZINC001358993610 1067639691 /nfs/dbraw/zinc/63/96/91/1067639691.db2.gz SBQVUQLRSKZWJT-UHFFFAOYSA-N 1 0 383.584 3.908 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCC[NH+]1CCC(C)CC1 ZINC001359071670 1067672376 /nfs/dbraw/zinc/67/23/76/1067672376.db2.gz YTEONDQQGXVNQF-HSZRJFAPSA-N 1 0 385.600 3.981 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001468302042 1067675418 /nfs/dbraw/zinc/67/54/18/1067675418.db2.gz XEBMZTNCGJVCBW-UHFFFAOYSA-N 1 0 382.533 3.598 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001359112425 1067691236 /nfs/dbraw/zinc/69/12/36/1067691236.db2.gz JAATUVBYDCQYOJ-FQEVSTJZSA-N 1 0 389.588 3.695 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359114331 1067692606 /nfs/dbraw/zinc/69/26/06/1067692606.db2.gz HVPTWXUBWOGNRT-FQEVSTJZSA-N 1 0 396.583 3.931 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC1([NH+](C)C)CCC1 ZINC001359114867 1067693572 /nfs/dbraw/zinc/69/35/72/1067693572.db2.gz BWUDNWJNJWMZOQ-UHFFFAOYSA-N 1 0 388.585 3.521 20 30 GHEDRO C=C1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@H](C)[NH+](C)C)CC1 ZINC001359160943 1067716916 /nfs/dbraw/zinc/71/69/16/1067716916.db2.gz KCBMSWPWVQIUCE-SFHVURJKSA-N 1 0 390.535 3.908 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359162922 1067718325 /nfs/dbraw/zinc/71/83/25/1067718325.db2.gz KLXLVZUPOWFKIZ-LJQANCHMSA-N 1 0 380.540 3.617 20 30 GHEDRO COCC1(C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CCOCC1 ZINC000849102743 1067728860 /nfs/dbraw/zinc/72/88/60/1067728860.db2.gz SFRYOLOSSXGBGR-UHFFFAOYSA-N 1 0 381.520 3.996 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001359176476 1067735738 /nfs/dbraw/zinc/73/57/38/1067735738.db2.gz BCMJBYUHLQQQSU-UHFFFAOYSA-N 1 0 394.567 3.865 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359186258 1067750304 /nfs/dbraw/zinc/75/03/04/1067750304.db2.gz ZQKMZVDKDHNVSG-ZWKOTPCHSA-N 1 0 384.572 3.805 20 30 GHEDRO C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359199341 1067766454 /nfs/dbraw/zinc/76/64/54/1067766454.db2.gz RWIKYWLIWWGJPF-AZUAARDMSA-N 1 0 395.551 3.983 20 30 GHEDRO C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359218611 1067795844 /nfs/dbraw/zinc/79/58/44/1067795844.db2.gz OPPPTCBALYRIJV-IBGZPJMESA-N 1 0 385.581 3.961 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC001468640717 1067802168 /nfs/dbraw/zinc/80/21/68/1067802168.db2.gz VNZNWMMMENCGIH-LEWJYISDSA-N 1 0 385.552 3.914 20 30 GHEDRO C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359225033 1067819244 /nfs/dbraw/zinc/81/92/44/1067819244.db2.gz KZRGTXYJCCYFSO-UHFFFAOYSA-N 1 0 397.567 3.767 20 30 GHEDRO C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC[N@H+]1CC ZINC001359230908 1067832439 /nfs/dbraw/zinc/83/24/39/1067832439.db2.gz IVVXCUBPGOYHMM-FUHWJXTLSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@@H+](C)CCCC ZINC001359237442 1067843996 /nfs/dbraw/zinc/84/39/96/1067843996.db2.gz ZEUCNTYRZPFGGU-UHFFFAOYSA-N 1 0 380.540 3.791 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001359244307 1067856871 /nfs/dbraw/zinc/85/68/71/1067856871.db2.gz YHZNFOYZHWWEDK-FQEVSTJZSA-N 1 0 397.567 3.828 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849485580 1067865870 /nfs/dbraw/zinc/86/58/70/1067865870.db2.gz HACXHLXAUBMCFC-PMACEKPBSA-N 1 0 386.565 3.510 20 30 GHEDRO C=CCN(c1nnc(Cc2ccc(F)cc2)n1CC[NH+]1CCCCC1)C1CC1 ZINC001359252379 1067904762 /nfs/dbraw/zinc/90/47/62/1067904762.db2.gz PMWASLKBCMMRMD-UHFFFAOYSA-N 1 0 383.515 3.649 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CCc2cc(F)ccc2C1)C(C)C ZINC001359264870 1067927934 /nfs/dbraw/zinc/92/79/34/1067927934.db2.gz RSSLJCPWRPODBW-QFIPXVFZSA-N 1 0 397.542 3.987 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCSC[C@H]1C)C(C)C ZINC001359266387 1067928950 /nfs/dbraw/zinc/92/89/50/1067928950.db2.gz ZLZJQDKZNYEHAH-IEBWSBKVSA-N 1 0 389.613 3.796 20 30 GHEDRO CC(C)(C)c1nnc(N2CCC(C#N)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359502422 1068075388 /nfs/dbraw/zinc/07/53/88/1068075388.db2.gz LZYICLPAICAVLA-UHFFFAOYSA-N 1 0 386.588 3.972 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C)[NH+](C)C ZINC001359766582 1068176075 /nfs/dbraw/zinc/17/60/75/1068176075.db2.gz PYTHIHKEZFGHPO-YLJYHZDGSA-N 1 0 380.540 3.782 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001469617230 1068261783 /nfs/dbraw/zinc/26/17/83/1068261783.db2.gz CNEICAQQDXNGLU-IEBWSBKVSA-N 1 0 395.469 3.986 20 30 GHEDRO CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359933911 1068267213 /nfs/dbraw/zinc/26/72/13/1068267213.db2.gz OOZKYIBRQFLBIA-OAQYLSRUSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001359948582 1068274909 /nfs/dbraw/zinc/27/49/09/1068274909.db2.gz ORHGZZBCJZCSGN-IBGZPJMESA-N 1 0 388.604 3.973 20 30 GHEDRO CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001359974010 1068288024 /nfs/dbraw/zinc/28/80/24/1068288024.db2.gz OFQIAOHHERZHBK-GOSISDBHSA-N 1 0 380.540 3.641 20 30 GHEDRO CC(C)[NH+](CCn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1)C(C)C ZINC001360128936 1068376877 /nfs/dbraw/zinc/37/68/77/1068376877.db2.gz PLEZMJNXDQHUAL-NRFANRHFSA-N 1 0 384.503 3.506 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC2(C)C)CC1 ZINC001360144118 1068385163 /nfs/dbraw/zinc/38/51/63/1068385163.db2.gz VGSYTSUIKYPUJR-HXUWFJFHSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[NH+]1CCCC1 ZINC001360470967 1068519095 /nfs/dbraw/zinc/51/90/95/1068519095.db2.gz YIMOYINAAOGCGZ-INIZCTEOSA-N 1 0 378.480 3.525 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2C[C@]1(C)CCC2)[NH+](C)C ZINC001360539889 1068549739 /nfs/dbraw/zinc/54/97/39/1068549739.db2.gz BUALRRWCZCVNSQ-CECAUBDESA-N 1 0 378.524 3.536 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001470106647 1068575657 /nfs/dbraw/zinc/57/56/57/1068575657.db2.gz WSRFOUNUCHYDQZ-AVRDEDQJSA-N 1 0 393.572 3.569 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1)C[NH+]1CCCCC1 ZINC001360598336 1068577375 /nfs/dbraw/zinc/57/73/75/1068577375.db2.gz XJRMPIFEQOQEEB-AVRDEDQJSA-N 1 0 396.514 3.509 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCCC1 ZINC001360599478 1068577514 /nfs/dbraw/zinc/57/75/14/1068577514.db2.gz QHAUUSPXTYHLCF-GOSISDBHSA-N 1 0 384.572 3.798 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001460083753 1068770068 /nfs/dbraw/zinc/77/00/68/1068770068.db2.gz VSPVHMBMRGSBLF-DEOSSOPVSA-N 1 0 388.559 3.567 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1 ZINC001460136363 1068804118 /nfs/dbraw/zinc/80/41/18/1068804118.db2.gz AIAWZZKUTKFOTO-FQEVSTJZSA-N 1 0 391.298 3.801 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC001460291870 1068909844 /nfs/dbraw/zinc/90/98/44/1068909844.db2.gz ZSGRACJINLIIJB-QGZVFWFLSA-N 1 0 393.462 3.752 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC001460613865 1069032000 /nfs/dbraw/zinc/03/20/00/1069032000.db2.gz FHFBVHVMVRPXLR-XMSQKQJNSA-N 1 0 379.504 3.598 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2CCOc2ccccc2C#N)C1 ZINC001460667255 1069070785 /nfs/dbraw/zinc/07/07/85/1069070785.db2.gz QIUPJTFONJZERJ-RBUKOAKNSA-N 1 0 385.508 3.658 20 30 GHEDRO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC001460718235 1069118706 /nfs/dbraw/zinc/11/87/06/1069118706.db2.gz JWUNIDLHFVCPSE-ZWKOTPCHSA-N 1 0 386.442 3.844 20 30 GHEDRO C#CCC1([NH2+]C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CCCCC1 ZINC001460827182 1069204671 /nfs/dbraw/zinc/20/46/71/1069204671.db2.gz FYFHAXXMMYMUFH-GHTZIAJQSA-N 1 0 376.541 3.718 20 30 GHEDRO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001460858350 1069229121 /nfs/dbraw/zinc/22/91/21/1069229121.db2.gz LBUNVXQQRIAURE-OAHLLOKOSA-N 1 0 394.450 3.614 20 30 GHEDRO C=CC[C@@H](C)[NH+]1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460869653 1069238940 /nfs/dbraw/zinc/23/89/40/1069238940.db2.gz HNYKKGSAQUFHFA-QGZVFWFLSA-N 1 0 397.560 3.741 20 30 GHEDRO C#Cc1cccc(CNC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001470512229 1072602254 /nfs/dbraw/zinc/60/22/54/1072602254.db2.gz YAIPSWBUMGVOQI-QHCPKHFHSA-N 1 0 375.516 3.912 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001470599456 1072643071 /nfs/dbraw/zinc/64/30/71/1072643071.db2.gz RKYOPFRJNKCBPC-UHFFFAOYSA-N 1 0 386.455 3.593 20 30 GHEDRO C#C[C@@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccc(Br)cc1 ZINC001470663453 1072675289 /nfs/dbraw/zinc/67/52/89/1072675289.db2.gz NYPJQTCTKPCPAI-QGZVFWFLSA-N 1 0 392.341 3.545 20 30 GHEDRO C#Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001478671386 1078952270 /nfs/dbraw/zinc/95/22/70/1078952270.db2.gz DNEJNOMWYUHFPL-HSZRJFAPSA-N 1 0 375.516 3.769 20 30 GHEDRO C#CC[C@@H](CCOC)NC(=O)N(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001479061712 1079088325 /nfs/dbraw/zinc/08/83/25/1079088325.db2.gz JKHNLQOMGXQXKM-VXKWHMMOSA-N 1 0 385.552 3.501 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC001479105341 1079105522 /nfs/dbraw/zinc/10/55/22/1079105522.db2.gz VKZKDPINCFUJPT-SPEDKVCISA-N 1 0 376.504 3.687 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001473134983 1073798564 /nfs/dbraw/zinc/79/85/64/1073798564.db2.gz LPEINBRITGMNEH-WSTZPKSXSA-N 1 0 399.535 3.804 20 30 GHEDRO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473197102 1073849570 /nfs/dbraw/zinc/84/95/70/1073849570.db2.gz RMFBYOZITNJMHT-PKTZIBPZSA-N 1 0 391.515 3.573 20 30 GHEDRO CSc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1C#N ZINC001479311795 1079177409 /nfs/dbraw/zinc/17/74/09/1079177409.db2.gz ARLJKPCDNDAUHE-UHFFFAOYSA-N 1 0 382.533 3.554 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC(C)(C)OC[C@@H]3C)sc2C1 ZINC001473445959 1073966646 /nfs/dbraw/zinc/96/66/46/1073966646.db2.gz DHMBOHCCWVAJEF-KGLIPLIRSA-N 1 0 375.538 3.572 20 30 GHEDRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001473476329 1073982235 /nfs/dbraw/zinc/98/22/35/1073982235.db2.gz FUQALKPFXCGBIM-KRWDZBQOSA-N 1 0 396.922 3.604 20 30 GHEDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001473508282 1073993919 /nfs/dbraw/zinc/99/39/19/1073993919.db2.gz AMNWHOPLUNMVIA-OAQYLSRUSA-N 1 0 387.401 3.874 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)OCC34CCC4)sc2C1 ZINC001473611775 1074047412 /nfs/dbraw/zinc/04/74/12/1074047412.db2.gz XMZBMOAXVPBNNC-GJZGRUSLSA-N 1 0 387.549 3.717 20 30 GHEDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001473645503 1074064191 /nfs/dbraw/zinc/06/41/91/1074064191.db2.gz LWRLEPVMQADXAH-WMZHIEFXSA-N 1 0 390.531 3.728 20 30 GHEDRO C#CCOCC[N@H+]1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001473779721 1074138104 /nfs/dbraw/zinc/13/81/04/1074138104.db2.gz QRXRKVZNSTYDNK-ICSRJNTNSA-N 1 0 378.557 3.822 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1F ZINC001473796591 1074146061 /nfs/dbraw/zinc/14/60/61/1074146061.db2.gz MOPAQTJKSYBRIJ-IEBWSBKVSA-N 1 0 377.385 3.850 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC001473824798 1074161814 /nfs/dbraw/zinc/16/18/14/1074161814.db2.gz SMPDIHTZYZNWIL-ZIAGYGMSSA-N 1 0 388.924 3.868 20 30 GHEDRO Cc1cc(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)ccc1C#N ZINC001473984680 1074226431 /nfs/dbraw/zinc/22/64/31/1074226431.db2.gz SXYRIOUANJTRCX-UHFFFAOYSA-N 1 0 382.939 3.822 20 30 GHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccnn2-c2cc[nH+]cc2)n1 ZINC001474085512 1074259077 /nfs/dbraw/zinc/25/90/77/1074259077.db2.gz XUBAEJLRZSMPTJ-UHFFFAOYSA-N 1 0 375.823 3.590 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC001479620314 1079240347 /nfs/dbraw/zinc/24/03/47/1079240347.db2.gz IISRYLIPSZTEKD-LJQANCHMSA-N 1 0 387.936 3.624 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC001479620759 1079240356 /nfs/dbraw/zinc/24/03/56/1079240356.db2.gz NMKIIEBYIYDINZ-OAQYLSRUSA-N 1 0 381.907 3.714 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1Cl ZINC001474140396 1074275020 /nfs/dbraw/zinc/27/50/20/1074275020.db2.gz YGIUWKFDXZHENH-UHFFFAOYSA-N 1 0 384.863 3.681 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC001474211336 1074294918 /nfs/dbraw/zinc/29/49/18/1074294918.db2.gz PLFSQLTUOFPFPH-QFIPXVFZSA-N 1 0 384.907 3.737 20 30 GHEDRO Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001474242376 1074307000 /nfs/dbraw/zinc/30/70/00/1074307000.db2.gz HWJCEGKDEXRREF-RUZDIDTESA-N 1 0 388.559 3.695 20 30 GHEDRO CN(C)[C@H](CC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F ZINC001474263351 1074315996 /nfs/dbraw/zinc/31/59/96/1074315996.db2.gz NZBMQNMUILHZBQ-CYBMUJFWSA-N 1 0 376.316 3.739 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001474334466 1074348520 /nfs/dbraw/zinc/34/85/20/1074348520.db2.gz PXTLVIDWTNDTQT-QFBILLFUSA-N 1 0 386.540 3.892 20 30 GHEDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](C)CCC#N)C[C@H]1c1ccc(Br)cc1 ZINC001474590603 1074473964 /nfs/dbraw/zinc/47/39/64/1074473964.db2.gz FPRXGZMPTRAFMQ-RRQGHBQHSA-N 1 0 379.298 3.577 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1 ZINC001493843360 1079302803 /nfs/dbraw/zinc/30/28/03/1079302803.db2.gz BBAYQJSVZUPRFW-KRWDZBQOSA-N 1 0 396.514 3.699 20 30 GHEDRO C[C@H](Cn1c(C2CCC2)nnc1N(CCC#N)CC1CC1)[NH+]1CCC(C)CC1 ZINC001493865999 1079304770 /nfs/dbraw/zinc/30/47/70/1079304770.db2.gz MUPKRONVHKANDO-GOSISDBHSA-N 1 0 384.572 3.796 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001493909655 1079307578 /nfs/dbraw/zinc/30/75/78/1079307578.db2.gz QXTZBVZFMCFHGF-MOPGFXCFSA-N 1 0 392.551 3.927 20 30 GHEDRO CC1CC[NH+](CCCCn2c(CC3CC3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001494049743 1079320588 /nfs/dbraw/zinc/32/05/88/1079320588.db2.gz GPKIEQOKEABHKT-UHFFFAOYSA-N 1 0 398.599 3.873 20 30 GHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 ZINC001500998549 1079622847 /nfs/dbraw/zinc/62/28/47/1079622847.db2.gz OWUNYUSVPNXFRS-UWJYYQICSA-N 1 0 390.551 3.573 20 30 GHEDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(C#N)ccc1Br ZINC001560183514 1126209250 /nfs/dbraw/zinc/20/92/50/1126209250.db2.gz QZPFWIASYFYTHU-GOSISDBHSA-N 1 0 377.257 3.543 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828258423 601300216 /nfs/dbraw/zinc/30/02/16/601300216.db2.gz RYEFETDCMMDEBD-VGOFRKELSA-N 1 0 377.488 3.848 20 30 GHEDRO C[C@@H]1C[C@H](CC[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000833598544 605165601 /nfs/dbraw/zinc/16/56/01/605165601.db2.gz YHADPVRLWWEXOD-PIPMEXSNSA-N 1 0 377.488 3.574 20 30 GHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164387406 718814663 /nfs/dbraw/zinc/81/46/63/718814663.db2.gz GLTNYRQZSCTADI-ZDUSSCGKSA-N 1 0 394.775 3.662 20 30 GHEDRO Cc1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(C#C[Si](C)(C)C)c1 ZINC001164730217 720418943 /nfs/dbraw/zinc/41/89/43/720418943.db2.gz IPENFUPEDZHWAK-YADHBBJMSA-N 1 0 390.607 3.867 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164725329 720479267 /nfs/dbraw/zinc/47/92/67/720479267.db2.gz JOZSJZISEVZPCG-SFTDATJTSA-N 1 0 387.531 3.815 20 30 GHEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001164734912 720544577 /nfs/dbraw/zinc/54/45/77/720544577.db2.gz LHFPXJARQIICFQ-OAHLLOKOSA-N 1 0 398.885 3.668 20 30 GHEDRO N#CCc1ccc(OCc2ccc(N3CC[NH+](C4CCCC4)CC3)nc2)cc1 ZINC001165032297 721860192 /nfs/dbraw/zinc/86/01/92/721860192.db2.gz PWAMRJWDPSIJJT-UHFFFAOYSA-N 1 0 376.504 3.791 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C#N)cc(Cl)n4)CC3)C2)cc1 ZINC001164937908 721919806 /nfs/dbraw/zinc/91/98/06/721919806.db2.gz HFXGYHJOAFEFHD-UHFFFAOYSA-N 1 0 396.922 3.787 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000176546675 837431021 /nfs/dbraw/zinc/43/10/21/837431021.db2.gz DPNDWVJATFTGFE-UHFFFAOYSA-N 1 0 386.496 3.817 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CCc3ccc(C#N)cc3)C2)s1 ZINC000581062836 837467495 /nfs/dbraw/zinc/46/74/95/837467495.db2.gz OJYBPVPDSPHIJQ-HXUWFJFHSA-N 1 0 381.545 3.841 20 30 GHEDRO CCC[C@@]1(CO)CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000581631246 837555256 /nfs/dbraw/zinc/55/52/56/837555256.db2.gz SPHUMNYUCHCUGH-QVKFZJNVSA-N 1 0 389.565 3.700 20 30 GHEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Cc1cccs1 ZINC000175764360 837577097 /nfs/dbraw/zinc/57/70/97/837577097.db2.gz RHSUQIZMQDESDY-KRWDZBQOSA-N 1 0 384.549 3.572 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)C(C(=S)NCc2ccon2)[n+]2ccccc2)cc1 ZINC000178031510 837597045 /nfs/dbraw/zinc/59/70/45/837597045.db2.gz RBANNKGGGAMTSE-UHFFFAOYSA-O 1 0 394.520 3.988 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cc2)C1 ZINC000173341012 837691824 /nfs/dbraw/zinc/69/18/24/837691824.db2.gz YURMTTZXHDXDFB-ROUUACIJSA-N 1 0 394.523 3.596 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN1C(=O)CSc2ccccc21 ZINC000329146937 834450462 /nfs/dbraw/zinc/45/04/62/834450462.db2.gz XLQXWXSSKAEHBE-BBWFWOEESA-N 1 0 389.565 3.838 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000176884700 837780491 /nfs/dbraw/zinc/78/04/91/837780491.db2.gz UEUQUVQJWCKEIH-ZDUSSCGKSA-N 1 0 382.407 3.702 20 30 GHEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NCc1sc(C)nc1C ZINC000262390595 834568774 /nfs/dbraw/zinc/56/87/74/834568774.db2.gz MBXLKIZJRNHNQD-UHFFFAOYSA-N 1 0 379.942 3.888 20 30 GHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCSC1 ZINC000329814068 834618844 /nfs/dbraw/zinc/61/88/44/834618844.db2.gz NORMOYIFFFPIRE-OAQYLSRUSA-N 1 0 399.564 3.650 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](C)[C@@H](C)C2)c1=S ZINC000159943625 834678379 /nfs/dbraw/zinc/67/83/79/834678379.db2.gz PRLKEZHHAZFTOB-MSOLQXFVSA-N 1 0 377.602 3.564 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000329278707 834730871 /nfs/dbraw/zinc/73/08/71/834730871.db2.gz DBPVIRYXMGHUIJ-XEVCZEQESA-N 1 0 377.573 3.882 20 30 GHEDRO CC[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccc2c(c1)OCCO2 ZINC000329832287 834822751 /nfs/dbraw/zinc/82/27/51/834822751.db2.gz TWLMXIFSCZEBIA-CEXWTWQISA-N 1 0 387.524 3.770 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458629910 834832187 /nfs/dbraw/zinc/83/21/87/834832187.db2.gz XROPJLQRCZMTHU-PBHICJAKSA-N 1 0 380.895 3.663 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000171551738 834940689 /nfs/dbraw/zinc/94/06/89/834940689.db2.gz DEEQRBNMUHWPDZ-AWEZNQCLSA-N 1 0 380.330 3.850 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000187118875 835017267 /nfs/dbraw/zinc/01/72/67/835017267.db2.gz PICBSYVJTPMTAG-GOSISDBHSA-N 1 0 390.409 3.679 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H](O)C2CC2)cc1OCC ZINC000685461183 835027400 /nfs/dbraw/zinc/02/74/00/835027400.db2.gz RNCZFCGAFDFTAE-MRXNPFEDSA-N 1 0 384.314 3.615 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1C ZINC000471147212 835032129 /nfs/dbraw/zinc/03/21/29/835032129.db2.gz JOHKBSIIZSJTFT-SBUREZEXSA-N 1 0 385.552 3.717 20 30 GHEDRO C=CCSc1ccccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246937548 835064366 /nfs/dbraw/zinc/06/43/66/835064366.db2.gz UBBYJWBQQQUIQM-PXNSSMCTSA-N 1 0 385.577 3.852 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cnccc2C)c1C#N ZINC000611938849 835083699 /nfs/dbraw/zinc/08/36/99/835083699.db2.gz KFXWJSAYGUMUDF-KRWDZBQOSA-N 1 0 387.487 3.959 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000611938134 835084477 /nfs/dbraw/zinc/08/44/77/835084477.db2.gz KQKPIYLATXRWHF-IBGZPJMESA-N 1 0 382.533 3.765 20 30 GHEDRO COc1ccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1OC(F)F ZINC000329861839 835107566 /nfs/dbraw/zinc/10/75/66/835107566.db2.gz YDHQBPPCQPCMLI-UHFFFAOYSA-N 1 0 397.466 3.661 20 30 GHEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C12CCCCC2 ZINC000610215826 835170103 /nfs/dbraw/zinc/17/01/03/835170103.db2.gz INQAQDNQUQRGJN-SFTDATJTSA-N 1 0 383.536 3.993 20 30 GHEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000583903933 835224248 /nfs/dbraw/zinc/22/42/48/835224248.db2.gz SQRMHVHTKFMERY-HNNXBMFYSA-N 1 0 381.442 3.951 20 30 GHEDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCC1CCOCC1 ZINC000329559394 835248036 /nfs/dbraw/zinc/24/80/36/835248036.db2.gz IJGZJIPGKVDAMZ-WOJBJXKFSA-N 1 0 387.524 3.562 20 30 GHEDRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329561864 835253635 /nfs/dbraw/zinc/25/36/35/835253635.db2.gz JJROBVIUBVICLE-IAGOWNOFSA-N 1 0 393.413 3.653 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000128153650 835342182 /nfs/dbraw/zinc/34/21/82/835342182.db2.gz FBRGGWRRXZOKKM-IBGZPJMESA-N 1 0 389.499 3.695 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000610231513 835457841 /nfs/dbraw/zinc/45/78/41/835457841.db2.gz POVCHDXEKHQTCC-KRWDZBQOSA-N 1 0 388.471 3.935 20 30 GHEDRO Cc1ccc([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)N(C)C)cc1 ZINC000278639722 835671347 /nfs/dbraw/zinc/67/13/47/835671347.db2.gz LJQAFHNPEVDNHK-QFIPXVFZSA-N 1 0 388.519 3.560 20 30 GHEDRO N#Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1O ZINC000188303209 835683417 /nfs/dbraw/zinc/68/34/17/835683417.db2.gz CXMZYJNFLBIJEO-UHFFFAOYSA-N 1 0 383.879 3.559 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](CO)C(C)(C)C ZINC000134428501 835712195 /nfs/dbraw/zinc/71/21/95/835712195.db2.gz MKYDNTOPGMYKHN-QGZVFWFLSA-N 1 0 377.554 3.556 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3ccccc3)C2)c(F)c1 ZINC000109351873 835843419 /nfs/dbraw/zinc/84/34/19/835843419.db2.gz TVMRXGHZRHLCGS-IBGZPJMESA-N 1 0 375.451 3.846 20 30 GHEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000176099199 844097799 /nfs/dbraw/zinc/09/77/99/844097799.db2.gz NMYKAYYBYUFBNG-QGZVFWFLSA-N 1 0 375.472 3.998 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC(C)=C[C@H](C)C2)c1C#N ZINC000430277231 835893876 /nfs/dbraw/zinc/89/38/76/835893876.db2.gz MEBHASARAPSBFH-HNNXBMFYSA-N 1 0 380.492 3.845 20 30 GHEDRO N#Cc1c(N)sc(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)c1Cl ZINC001279370786 835908029 /nfs/dbraw/zinc/90/80/29/835908029.db2.gz WAHCKNIGZRDDOY-UHFFFAOYSA-N 1 0 392.878 3.706 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000584373305 835935391 /nfs/dbraw/zinc/93/53/91/835935391.db2.gz IRKCEAVHWZEENO-PTUXOGIPSA-N 1 0 390.531 3.988 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000179692200 835941892 /nfs/dbraw/zinc/94/18/92/835941892.db2.gz VGAZQIZUYYYERO-OAHLLOKOSA-N 1 0 392.484 3.883 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2nc3c(s2)CCCC3)c(-c2ccncc2)n1 ZINC000278745732 835950377 /nfs/dbraw/zinc/95/03/77/835950377.db2.gz VXODJHJWKVEZQB-UHFFFAOYSA-N 1 0 392.532 3.526 20 30 GHEDRO N#CCC[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000163536544 836046344 /nfs/dbraw/zinc/04/63/44/836046344.db2.gz OSBIBWVUNOZYFZ-QFIPXVFZSA-N 1 0 376.504 3.995 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCN(CC(F)(F)F)CC1 ZINC000549688158 844119709 /nfs/dbraw/zinc/11/97/09/844119709.db2.gz ODFNRURWPWAWER-GFCCVEGCSA-N 1 0 391.384 3.912 20 30 GHEDRO N#CCC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000163536638 836054407 /nfs/dbraw/zinc/05/44/07/836054407.db2.gz OSBIBWVUNOZYFZ-JOCHJYFZSA-N 1 0 376.504 3.995 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)[NH+]2CCCCC2)cc1 ZINC000612355620 836109397 /nfs/dbraw/zinc/10/93/97/836109397.db2.gz CELINIOAUSDYTP-IFMALSPDSA-N 1 0 384.524 3.557 20 30 GHEDRO N#Cc1cnc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC000612357809 836113158 /nfs/dbraw/zinc/11/31/58/836113158.db2.gz IWCLFSYUOUKKEQ-NLWGTHIKSA-N 1 0 394.906 3.637 20 30 GHEDRO Cc1cc(-c2noc([C@@H](c3ccccc3Cl)N3CC[NH2+]CC3)n2)ccc1C#N ZINC001211634039 836141505 /nfs/dbraw/zinc/14/15/05/836141505.db2.gz JBERHWXJBHZJCA-LJQANCHMSA-N 1 0 393.878 3.565 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000179876717 836208129 /nfs/dbraw/zinc/20/81/29/836208129.db2.gz CPSPCUJFIFNCTD-GMAHTHKFSA-N 1 0 388.515 3.851 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000582058118 836224534 /nfs/dbraw/zinc/22/45/34/836224534.db2.gz PSSMKLHYIOOHPS-QGZVFWFLSA-N 1 0 395.311 3.916 20 30 GHEDRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000187239901 836270809 /nfs/dbraw/zinc/27/08/09/836270809.db2.gz SRXNMBWSPBZSEV-UHFFFAOYSA-N 1 0 394.475 3.794 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)CC1 ZINC000173715754 836271643 /nfs/dbraw/zinc/27/16/43/836271643.db2.gz CVCSYBDTSILGGJ-UHFFFAOYSA-N 1 0 382.464 3.654 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179895767 836290968 /nfs/dbraw/zinc/29/09/68/836290968.db2.gz IZSKMGQZFQRXHY-FQEVSTJZSA-N 1 0 399.498 3.809 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C ZINC000612503224 836324859 /nfs/dbraw/zinc/32/48/59/836324859.db2.gz RGWIBOPICNJJPG-CHWSQXEVSA-N 1 0 385.537 3.608 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)C(C)C ZINC000047633983 836463463 /nfs/dbraw/zinc/46/34/63/836463463.db2.gz PFXXQKIVXAQBDA-GOSISDBHSA-N 1 0 387.549 3.549 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@]2(CC(C(=O)Nc3ccc(OC)cc3)=NO2)C1 ZINC001209422828 836500924 /nfs/dbraw/zinc/50/09/24/836500924.db2.gz IWDQQJNTFMHTGR-QFIPXVFZSA-N 1 0 385.508 3.991 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000548951455 836552133 /nfs/dbraw/zinc/55/21/33/836552133.db2.gz NRMAAMBXWJVEHV-UHFFFAOYSA-N 1 0 376.508 3.646 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001209443908 836576659 /nfs/dbraw/zinc/57/66/59/836576659.db2.gz HZBFPGTXSBJIEP-IRFCIJBXSA-N 1 0 389.540 3.658 20 30 GHEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000275295890 836610647 /nfs/dbraw/zinc/61/06/47/836610647.db2.gz MRSAKTWPTBENGE-HKUYNNGSSA-N 1 0 377.410 3.527 20 30 GHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000247033090 836624188 /nfs/dbraw/zinc/62/41/88/836624188.db2.gz ZWUDEXWYYGUCRH-SIKLNZKXSA-N 1 0 375.472 3.907 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)CC1 ZINC000510194918 836714577 /nfs/dbraw/zinc/71/45/77/836714577.db2.gz CEQZOXHXACUBKU-UHFFFAOYSA-N 1 0 394.544 3.701 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1Br)C1CCN(CC(F)(F)F)CC1 ZINC000452032995 836796360 /nfs/dbraw/zinc/79/63/60/836796360.db2.gz OYPQVRQALXURAB-UHFFFAOYSA-N 1 0 390.247 3.779 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C#N ZINC000247096568 836799878 /nfs/dbraw/zinc/79/98/78/836799878.db2.gz XSTJPUISURXGIV-JXFKEZNVSA-N 1 0 399.583 3.835 20 30 GHEDRO CC(C)c1ccc(-c2noc([C@H](c3cccc(C#N)c3)N3CC[NH2+]CC3)n2)cc1 ZINC001211640477 836885474 /nfs/dbraw/zinc/88/54/74/836885474.db2.gz JZXJKSUAOLEAGB-NRFANRHFSA-N 1 0 387.487 3.726 20 30 GHEDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180292249 836982949 /nfs/dbraw/zinc/98/29/49/836982949.db2.gz JZTHARWKTPFFKD-UHFFFAOYSA-N 1 0 398.413 3.859 20 30 GHEDRO N#Cc1csc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000177686766 837010248 /nfs/dbraw/zinc/01/02/48/837010248.db2.gz BOVREGFSYXJNIF-UHFFFAOYSA-N 1 0 381.423 3.765 20 30 GHEDRO CSCCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1cccc(C)c1 ZINC000027480120 837053162 /nfs/dbraw/zinc/05/31/62/837053162.db2.gz YPOJCZNTAFYOHX-UHFFFAOYSA-O 1 0 395.520 3.842 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000027488143 837054601 /nfs/dbraw/zinc/05/46/01/837054601.db2.gz XCSISIRDYYBLCG-QAPCUYQASA-O 1 0 398.508 3.989 20 30 GHEDRO CCc1c(C(=O)C(C(=S)NC2CC2)[n+]2ccc(CC)cc2)[nH]c(C)c1C(C)=O ZINC000063440195 837055720 /nfs/dbraw/zinc/05/57/20/837055720.db2.gz VQIZGRIAPVNKOS-UHFFFAOYSA-O 1 0 398.552 3.629 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000175705481 837062662 /nfs/dbraw/zinc/06/26/62/837062662.db2.gz BHRYNJALJYLVME-IAQYHMDHSA-N 1 0 395.406 3.974 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000473376523 844271337 /nfs/dbraw/zinc/27/13/37/844271337.db2.gz JUGNKAAGEFJTAU-UHFFFAOYSA-N 1 0 377.532 3.653 20 30 GHEDRO C[C@H]1CN(C)c2ccccc2CN1CC(=O)Nc1ccccc1SCC#N ZINC000177391952 837936278 /nfs/dbraw/zinc/93/62/78/837936278.db2.gz HYFUDKZEZGFSJI-INIZCTEOSA-N 1 0 380.517 3.581 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000614354909 844279570 /nfs/dbraw/zinc/27/95/70/844279570.db2.gz QCZZRTAXGAKSEY-HXUWFJFHSA-N 1 0 379.504 3.711 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000609075635 838053923 /nfs/dbraw/zinc/05/39/23/838053923.db2.gz KNUPUODMQQEPMI-UHFFFAOYSA-N 1 0 389.499 3.554 20 30 GHEDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3cc(C#N)cs3)n2)ccc1O ZINC000177701462 838071913 /nfs/dbraw/zinc/07/19/13/838071913.db2.gz PVCWGCKMIBHCQJ-UHFFFAOYSA-N 1 0 398.488 3.887 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415801000 838125631 /nfs/dbraw/zinc/12/56/31/838125631.db2.gz FOONQRYYOQHBQC-OAHLLOKOSA-N 1 0 382.302 3.524 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460771275 838175572 /nfs/dbraw/zinc/17/55/72/838175572.db2.gz OGUNPKCKAMARME-UHFFFAOYSA-N 1 0 391.466 3.655 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(C#N)c1C ZINC000181385570 838201969 /nfs/dbraw/zinc/20/19/69/838201969.db2.gz LEYYDORVRPBYRL-GJZGRUSLSA-N 1 0 394.475 3.573 20 30 GHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000188041065 838486110 /nfs/dbraw/zinc/48/61/10/838486110.db2.gz FYKSNFCPWDYNPY-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C2)n1 ZINC000328695069 838673806 /nfs/dbraw/zinc/67/38/06/838673806.db2.gz GICCZRHNORDBLP-XUVXKRRUSA-N 1 0 398.551 3.871 20 30 GHEDRO CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000177706599 838834093 /nfs/dbraw/zinc/83/40/93/838834093.db2.gz NUWDYSBKSODWHF-NRFANRHFSA-N 1 0 375.497 3.984 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000066349222 838835043 /nfs/dbraw/zinc/83/50/43/838835043.db2.gz YBZMQUCTBZQELI-QFIPXVFZSA-N 1 0 379.500 3.750 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000549424953 838975176 /nfs/dbraw/zinc/97/51/76/838975176.db2.gz MMTDNSJRLSPOEI-UHFFFAOYSA-N 1 0 394.425 3.589 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000580175091 839011462 /nfs/dbraw/zinc/01/14/62/839011462.db2.gz IBPNHAUNQBQVLH-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c(C#N)c1C ZINC000549829477 844397124 /nfs/dbraw/zinc/39/71/24/844397124.db2.gz LDGFLRZYNJMOIQ-CYBMUJFWSA-N 1 0 397.479 3.851 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)cc1 ZINC000415034921 839099371 /nfs/dbraw/zinc/09/93/71/839099371.db2.gz ILPISTJPXJTJDF-DQLDELGASA-N 1 0 376.460 3.942 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000150688589 839113227 /nfs/dbraw/zinc/11/32/27/839113227.db2.gz ICXMWBNHWXVVLO-GCJKJVERSA-N 1 0 391.515 3.742 20 30 GHEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000541395109 839113725 /nfs/dbraw/zinc/11/37/25/839113725.db2.gz ZTODJMVQFAYVBB-SFHVURJKSA-N 1 0 390.405 3.981 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000415075592 839164483 /nfs/dbraw/zinc/16/44/83/839164483.db2.gz BSQOMUSSNUJJSY-INIZCTEOSA-N 1 0 394.475 3.870 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000415082815 839179611 /nfs/dbraw/zinc/17/96/11/839179611.db2.gz MDPIEJUEZJAVCY-HNNXBMFYSA-N 1 0 394.475 3.950 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000415086900 839187233 /nfs/dbraw/zinc/18/72/33/839187233.db2.gz SDMJMFYGLJPTGR-GDBMZVCRSA-N 1 0 380.448 3.560 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378483105 839195537 /nfs/dbraw/zinc/19/55/37/839195537.db2.gz OIWIMBNZOZXGJM-VQTJNVASSA-N 1 0 395.453 3.743 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000378483046 839204135 /nfs/dbraw/zinc/20/41/35/839204135.db2.gz NRCKGUKQPWTDAT-RBUKOAKNSA-N 1 0 395.453 3.743 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC2)c2ccccc2N=C3C)CC1 ZINC000892851525 839241697 /nfs/dbraw/zinc/24/16/97/839241697.db2.gz LBRWKXAHOAEWGF-UHFFFAOYSA-N 1 0 380.536 3.876 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415130435 839254789 /nfs/dbraw/zinc/25/47/89/839254789.db2.gz WRWRWBPRJCVODC-QFIPXVFZSA-N 1 0 380.492 3.941 20 30 GHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549441041 839271920 /nfs/dbraw/zinc/27/19/20/839271920.db2.gz WQTHJONKDJYKDH-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccn3)cn2)c1 ZINC000610423935 839276016 /nfs/dbraw/zinc/27/60/16/839276016.db2.gz JZERERNJTDJBHD-NRFANRHFSA-N 1 0 399.454 3.744 20 30 GHEDRO COc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[NH+]2CCCC2)cc1 ZINC000565690135 839283984 /nfs/dbraw/zinc/28/39/84/839283984.db2.gz PQXLKLHFLKDHPL-FQEVSTJZSA-N 1 0 382.439 3.665 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415154465 839287527 /nfs/dbraw/zinc/28/75/27/839287527.db2.gz DRBFDYXKIAMMKP-MRXNPFEDSA-N 1 0 383.521 3.777 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000415151361 839293239 /nfs/dbraw/zinc/29/32/39/839293239.db2.gz ANXWSGIBKGSRIR-RYQLBKOJSA-N 1 0 380.517 3.897 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000416705245 839556153 /nfs/dbraw/zinc/55/61/53/839556153.db2.gz URIQWSUPIFDMOI-NRFANRHFSA-N 1 0 380.467 3.636 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(N2CCOCC2)c1 ZINC000536862183 839568014 /nfs/dbraw/zinc/56/80/14/839568014.db2.gz HJIUTOWPFZZWTF-SFHVURJKSA-N 1 0 381.545 3.979 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549253825 839592443 /nfs/dbraw/zinc/59/24/43/839592443.db2.gz FZJHKZKKESSZIL-LJQANCHMSA-N 1 0 378.524 3.561 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000549253822 839592565 /nfs/dbraw/zinc/59/25/65/839592565.db2.gz FXQBRJPTXNWPCC-UHFFFAOYSA-N 1 0 380.540 3.617 20 30 GHEDRO COC(=O)CCC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000580615203 839901907 /nfs/dbraw/zinc/90/19/07/839901907.db2.gz AMAIFWGEICQCLS-LJQANCHMSA-N 1 0 399.535 3.604 20 30 GHEDRO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCOCc1ccc(C#N)cc1 ZINC000580718984 840055750 /nfs/dbraw/zinc/05/57/50/840055750.db2.gz JSTLRXCUVUUERR-UHFFFAOYSA-N 1 0 388.389 3.957 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000247292218 840115046 /nfs/dbraw/zinc/11/50/46/840115046.db2.gz GMXACWXUUXRSDM-DYESRHJHSA-N 1 0 377.488 3.549 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000416946236 840302221 /nfs/dbraw/zinc/30/22/21/840302221.db2.gz NWBXSHNBZSGDJQ-PKOBYXMFSA-N 1 0 393.453 3.621 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000048149552 840303501 /nfs/dbraw/zinc/30/35/01/840303501.db2.gz SHMLLLGORAJJOQ-OAQYLSRUSA-N 1 0 392.503 3.561 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000500393401 840347852 /nfs/dbraw/zinc/34/78/52/840347852.db2.gz BLYRLLYDVVHERR-UHFFFAOYSA-N 1 0 384.483 3.739 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000119350801 840349917 /nfs/dbraw/zinc/34/99/17/840349917.db2.gz FPZLBZXYAGTAFC-GOSISDBHSA-N 1 0 397.544 3.552 20 30 GHEDRO CC(C)(C)c1cccc(OCCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000511662733 840476232 /nfs/dbraw/zinc/47/62/32/840476232.db2.gz BHOHUEMFIQRMIB-UHFFFAOYSA-N 1 0 378.520 3.842 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)c2cccs2)CC1 ZINC000432039482 840564171 /nfs/dbraw/zinc/56/41/71/840564171.db2.gz DXHSKPCIGKLTIM-FQEVSTJZSA-N 1 0 396.560 3.889 20 30 GHEDRO [NH2+]=C(NCc1nc(C(F)(F)F)cs1)Nc1ccccc1OC(F)(F)F ZINC000160736510 840607712 /nfs/dbraw/zinc/60/77/12/840607712.db2.gz YWUXDPODBJWGNZ-UHFFFAOYSA-N 1 0 384.305 3.987 20 30 GHEDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cccc(C#N)c1Br ZINC000566452761 840642960 /nfs/dbraw/zinc/64/29/60/840642960.db2.gz PAXAOEQUQCLEIO-UHFFFAOYSA-N 1 0 387.281 3.990 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(Cl)c1F ZINC000613750277 840647836 /nfs/dbraw/zinc/64/78/36/840647836.db2.gz MRKCFWGBIJVFTE-OAHLLOKOSA-N 1 0 376.859 3.810 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000610810776 844563844 /nfs/dbraw/zinc/56/38/44/844563844.db2.gz IBYIOMIXULQEJC-IBGZPJMESA-N 1 0 391.515 3.839 20 30 GHEDRO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1C ZINC000511765900 840691733 /nfs/dbraw/zinc/69/17/33/840691733.db2.gz XZECGVGAWSHHOP-ZLNRFVROSA-N 1 0 378.516 3.978 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC2(CCOCC2)O1 ZINC000581111873 840727237 /nfs/dbraw/zinc/72/72/37/840727237.db2.gz LPELTTJRMMULCM-IBGZPJMESA-N 1 0 392.499 3.907 20 30 GHEDRO N#Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000187381241 840744683 /nfs/dbraw/zinc/74/46/83/840744683.db2.gz YRCWENFKNBKVRS-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CC#N)C2CCCC2)C1 ZINC000581169568 840817168 /nfs/dbraw/zinc/81/71/68/840817168.db2.gz AQSXRPBZLWNRLZ-UHFFFAOYSA-N 1 0 378.520 3.703 20 30 GHEDRO Cc1nsc(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000573542268 844587593 /nfs/dbraw/zinc/58/75/93/844587593.db2.gz YAINYYVWNFVMAS-PBHICJAKSA-N 1 0 383.521 3.745 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511854562 840958855 /nfs/dbraw/zinc/95/88/55/840958855.db2.gz ILDIUFSXNOEDTH-JLSDUUJJSA-N 1 0 381.442 3.939 20 30 GHEDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000157046547 841046979 /nfs/dbraw/zinc/04/69/79/841046979.db2.gz ZTNIJBLXCSPEQQ-QFBILLFUSA-N 1 0 382.533 3.543 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC)Cc2ccc(Br)cc2)CC1 ZINC000660704062 841112969 /nfs/dbraw/zinc/11/29/69/841112969.db2.gz JCDRSPKJISMFCU-KRWDZBQOSA-N 1 0 394.357 3.720 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCN(c4ccccn4)C3)c2)c1 ZINC000120637488 844609859 /nfs/dbraw/zinc/60/98/59/844609859.db2.gz RMSVWKXLWZGNEN-QFIPXVFZSA-N 1 0 384.483 3.901 20 30 GHEDRO N#C[C@]1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC12CCCC2 ZINC000584879063 841157318 /nfs/dbraw/zinc/15/73/18/841157318.db2.gz ADSSCKASYONEGR-QHCPKHFHSA-N 1 0 394.519 3.914 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)C1 ZINC000329250690 861206840 /nfs/dbraw/zinc/20/68/40/861206840.db2.gz XTGGNPRYZSOGFY-QGZVFWFLSA-N 1 0 396.535 3.548 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)C(=O)NCC[NH+]1CCCCC1 ZINC000328797305 841520322 /nfs/dbraw/zinc/52/03/22/841520322.db2.gz VPHKUZYNHXOXRI-CRAIPNDOSA-N 1 0 375.538 3.804 20 30 GHEDRO C=CC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H](C)COC ZINC000661242461 841561378 /nfs/dbraw/zinc/56/13/78/841561378.db2.gz PHWFCISUPYOQFR-CQSZACIVSA-N 1 0 376.298 3.929 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1OC ZINC000623573275 861217393 /nfs/dbraw/zinc/21/73/93/861217393.db2.gz CTJKZJPIYAJIRJ-UHFFFAOYSA-N 1 0 375.843 3.943 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2sccc21 ZINC000136575096 841639065 /nfs/dbraw/zinc/63/90/65/841639065.db2.gz JWIAFWZWIQMBRF-IBGZPJMESA-N 1 0 382.533 3.771 20 30 GHEDRO O=C(N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810470 841682109 /nfs/dbraw/zinc/68/21/09/841682109.db2.gz AUPVBHUJIWEHHG-HUUCEWRRSA-N 1 0 398.322 3.645 20 30 GHEDRO COc1ccc(C(=O)C(C(=S)NCCCSC)[n+]2cccc(C)c2)cc1 ZINC000027481077 841719166 /nfs/dbraw/zinc/71/91/66/841719166.db2.gz HEGCSUZQDMVMKW-UHFFFAOYSA-O 1 0 389.566 3.573 20 30 GHEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000320985610 841784865 /nfs/dbraw/zinc/78/48/65/841784865.db2.gz IHZRKDRXKLJERO-LBPRGKRZSA-N 1 0 393.119 3.637 20 30 GHEDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000623600987 861236771 /nfs/dbraw/zinc/23/67/71/861236771.db2.gz KOJSGRXGUMJFBU-UHFFFAOYSA-N 1 0 385.283 3.809 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc(OC)c1O ZINC000600197571 861237932 /nfs/dbraw/zinc/23/79/32/861237932.db2.gz RWLCORMTOGGUOR-MAUKXSAKSA-N 1 0 375.509 3.929 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000123811934 841857778 /nfs/dbraw/zinc/85/77/78/841857778.db2.gz JPBWWGUBIQHRGN-UHFFFAOYSA-N 1 0 379.467 3.977 20 30 GHEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000418349532 841871490 /nfs/dbraw/zinc/87/14/90/841871490.db2.gz KDMOHFOGRXZIKB-QFIPXVFZSA-N 1 0 394.519 3.540 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000482138063 842031862 /nfs/dbraw/zinc/03/18/62/842031862.db2.gz BDRWYUYDNKFYMB-WMZOPIPTSA-N 1 0 376.932 3.640 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)ccc1OC ZINC000066974090 842057863 /nfs/dbraw/zinc/05/78/63/842057863.db2.gz ZGIPBLSOAZNQGC-UHFFFAOYSA-N 1 0 382.460 3.897 20 30 GHEDRO C[C@@H](CS(C)(=O)=O)N(Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000093392989 842075593 /nfs/dbraw/zinc/07/55/93/842075593.db2.gz CRNRPTLYGPRYHD-KRWDZBQOSA-N 1 0 398.528 3.535 20 30 GHEDRO N#Cc1ccccc1COc1cccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000066905214 842082181 /nfs/dbraw/zinc/08/21/81/842082181.db2.gz OEQVDZXPXZFJMO-NRFANRHFSA-N 1 0 394.438 3.984 20 30 GHEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000481394392 861269449 /nfs/dbraw/zinc/26/94/49/861269449.db2.gz VLLXDANGNJTCEI-HNAYVOBHSA-N 1 0 377.916 3.690 20 30 GHEDRO C=CCc1cc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)cc(OC)c1O ZINC000581752969 842145330 /nfs/dbraw/zinc/14/53/30/842145330.db2.gz CCHQFEJLIPGJNE-UHFFFAOYSA-N 1 0 379.460 3.854 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000177912539 861280852 /nfs/dbraw/zinc/28/08/52/861280852.db2.gz YHRKGUQNGZUOEK-AWEZNQCLSA-N 1 0 385.430 3.542 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000759952782 842217030 /nfs/dbraw/zinc/21/70/30/842217030.db2.gz FMBGBWWUSGQUKI-HXUWFJFHSA-N 1 0 378.476 3.717 20 30 GHEDRO CC[C@H](c1ccc(Br)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121462761 842222121 /nfs/dbraw/zinc/22/21/21/842222121.db2.gz RWLZFRIZLNCHDA-MRXNPFEDSA-N 1 0 376.302 3.642 20 30 GHEDRO CC(C)(CNC(=O)Nc1ccc(F)cc1OCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000178154754 842261564 /nfs/dbraw/zinc/26/15/64/842261564.db2.gz MLBOPWZVTGUNRU-UHFFFAOYSA-N 1 0 396.466 3.686 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCCC[C@H]3c3ccnn3C)CC2)CC1 ZINC000329335846 861297021 /nfs/dbraw/zinc/29/70/21/861297021.db2.gz OVQZXQUFSAVQSV-GRERDSQWSA-N 1 0 387.572 3.904 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC4(CCCC4=O)CC3)sc2C1 ZINC000661956890 842397830 /nfs/dbraw/zinc/39/78/30/842397830.db2.gz OONUHHOMUKWYGZ-OAHLLOKOSA-N 1 0 399.560 3.908 20 30 GHEDRO CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000613862838 842426360 /nfs/dbraw/zinc/42/63/60/842426360.db2.gz QYFZMRBDORISSW-XMSQKQJNSA-N 1 0 376.504 3.925 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)CC1 ZINC000276668588 842443382 /nfs/dbraw/zinc/44/33/82/842443382.db2.gz VFQBFJIBXKNCCA-OAQYLSRUSA-N 1 0 394.494 3.615 20 30 GHEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1)C1CC1 ZINC000466940330 842449831 /nfs/dbraw/zinc/44/98/31/842449831.db2.gz OJMCDCRCTQEHNE-OPAMFIHVSA-N 1 0 381.545 3.964 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000163084018 842599282 /nfs/dbraw/zinc/59/92/82/842599282.db2.gz YHJKQHAGILLLTA-WFXMLNOXSA-N 1 0 377.488 3.785 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC([C@H]2CCCCO2)CC1)C(C)C ZINC000663668467 842601040 /nfs/dbraw/zinc/60/10/40/842601040.db2.gz PESXTAJICKAQAZ-LEWJYISDSA-N 1 0 377.573 3.676 20 30 GHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000662078750 842607305 /nfs/dbraw/zinc/60/73/05/842607305.db2.gz JPZSKTGVRPXNGQ-HSALFYBXSA-N 1 0 382.504 3.694 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000599165067 842651097 /nfs/dbraw/zinc/65/10/97/842651097.db2.gz KQFWKKONIDIFFV-UHFFFAOYSA-N 1 0 395.290 3.956 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000512177677 842762024 /nfs/dbraw/zinc/76/20/24/842762024.db2.gz HKXDVXXZABSRLA-KRWDZBQOSA-N 1 0 378.259 3.517 20 30 GHEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](C(C)C)CC1 ZINC000580334471 842856280 /nfs/dbraw/zinc/85/62/80/842856280.db2.gz LBPYURSUQNGYIC-UHFFFAOYSA-N 1 0 378.524 3.543 20 30 GHEDRO CCC[N@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000549645531 842880657 /nfs/dbraw/zinc/88/06/57/842880657.db2.gz XUMHRRRPMSDWMA-INIZCTEOSA-N 1 0 385.458 3.796 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+](C)C ZINC000510510900 842886087 /nfs/dbraw/zinc/88/60/87/842886087.db2.gz JLZIDKKBTUQZCJ-IIBYNOLFSA-N 1 0 379.479 3.845 20 30 GHEDRO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328927883 842888373 /nfs/dbraw/zinc/88/83/73/842888373.db2.gz GDEYHADSLGJSQG-QSVDNLTKSA-N 1 0 387.568 3.636 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000329389313 861362539 /nfs/dbraw/zinc/36/25/39/861362539.db2.gz QXWUOSKXOQGJCE-UHOSZYNNSA-N 1 0 395.613 3.588 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156174341 842977487 /nfs/dbraw/zinc/97/74/87/842977487.db2.gz XCCGNWYGXLSHSZ-GCJKJVERSA-N 1 0 376.504 3.753 20 30 GHEDRO CCCCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000067011114 843019637 /nfs/dbraw/zinc/01/96/37/843019637.db2.gz GPRKFUVSLVEHSN-UHFFFAOYSA-N 1 0 394.519 3.899 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(OC3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000279379153 843034448 /nfs/dbraw/zinc/03/44/48/843034448.db2.gz JYRBCRJJANRDHV-UHFFFAOYSA-N 1 0 379.508 3.782 20 30 GHEDRO CCCOCCNc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001167872134 843035262 /nfs/dbraw/zinc/03/52/62/843035262.db2.gz FZEFMQAEGRKJQA-UHFFFAOYSA-N 1 0 378.520 3.977 20 30 GHEDRO CC1(C)CCC[C@@](CO)([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000599594745 861381481 /nfs/dbraw/zinc/38/14/81/861381481.db2.gz IRVFCKHUHAQCMO-HXUWFJFHSA-N 1 0 377.916 3.508 20 30 GHEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000599596374 861382193 /nfs/dbraw/zinc/38/21/93/861382193.db2.gz ANBRJNIKPCOMEG-PZJWPPBQSA-N 1 0 378.476 3.708 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107849210 843204578 /nfs/dbraw/zinc/20/45/78/843204578.db2.gz XVKYSGGUFXMVBM-LEWJYISDSA-N 1 0 396.922 3.841 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)cc1 ZINC000610652228 843372060 /nfs/dbraw/zinc/37/20/60/843372060.db2.gz KEIHMWWSZPIZHM-RCZVLFRGSA-N 1 0 390.527 3.862 20 30 GHEDRO CCc1nc(CN2CCC(CNC(=[NH2+])Nc3ccc(C)c(C)c3)CC2)cs1 ZINC000178572434 843374173 /nfs/dbraw/zinc/37/41/73/843374173.db2.gz PPJSMVDSVDUKDA-UHFFFAOYSA-N 1 0 385.581 3.961 20 30 GHEDRO C=CC[C@@]1(C(=O)NCc2ccc(Oc3ccccc3OCC)nc2)CCC[NH2+]1 ZINC000662676104 843510371 /nfs/dbraw/zinc/51/03/71/843510371.db2.gz YJCOSWIFWMQKNU-QFIPXVFZSA-N 1 0 381.476 3.587 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)cc1Cl ZINC000500493700 843531167 /nfs/dbraw/zinc/53/11/67/843531167.db2.gz FFIJQJMEQHRSCY-SFHVURJKSA-N 1 0 386.879 3.634 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000418756670 843606356 /nfs/dbraw/zinc/60/63/56/843606356.db2.gz YMOOJRSOEBCYJV-QFIPXVFZSA-N 1 0 394.494 3.941 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253667 843729786 /nfs/dbraw/zinc/72/97/86/843729786.db2.gz DKHUJEUJDJTOCI-OAHLLOKOSA-N 1 0 397.357 3.796 20 30 GHEDRO N#Cc1cnc2ccccc2c1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000512431732 843768789 /nfs/dbraw/zinc/76/87/89/843768789.db2.gz AKSQMGGQIYJACL-UHFFFAOYSA-N 1 0 394.482 3.614 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000500660955 843790519 /nfs/dbraw/zinc/79/05/19/843790519.db2.gz CJTUTDUSLAXKLF-KRWDZBQOSA-N 1 0 378.476 3.580 20 30 GHEDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000581986672 843799919 /nfs/dbraw/zinc/79/99/19/843799919.db2.gz VBQUHKOVVUYDJF-SFHVURJKSA-N 1 0 397.910 3.787 20 30 GHEDRO COC(=O)c1cccc(Cl)c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000509813403 843838632 /nfs/dbraw/zinc/83/86/32/843838632.db2.gz FZZFTLRRWVBUNB-UHFFFAOYSA-N 1 0 397.906 3.706 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000429884445 843839285 /nfs/dbraw/zinc/83/92/85/843839285.db2.gz KHFYOXWUJOMQHX-INIZCTEOSA-N 1 0 379.382 3.983 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(C)C ZINC000429824050 843888624 /nfs/dbraw/zinc/88/86/24/843888624.db2.gz YAUKQYKIRAMUEU-UHFFFAOYSA-N 1 0 381.524 3.702 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000599672590 861469108 /nfs/dbraw/zinc/46/91/08/861469108.db2.gz HAPCUGFFJDTRAJ-UHFFFAOYSA-N 1 0 380.517 3.994 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000106269191 843922361 /nfs/dbraw/zinc/92/23/61/843922361.db2.gz NJSGEKSCLMVVEA-ZWKOTPCHSA-N 1 0 392.341 3.645 20 30 GHEDRO C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329466707 861479999 /nfs/dbraw/zinc/47/99/99/861479999.db2.gz VRYYQLJDTRJOON-SJORKVTESA-N 1 0 387.524 3.679 20 30 GHEDRO C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329466477 861480210 /nfs/dbraw/zinc/48/02/10/861480210.db2.gz VYUPVPPCTLLGIL-YSIASYRMSA-N 1 0 383.536 3.645 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ncc(C(F)(F)F)s3)C2)c(F)c1 ZINC000433310460 844007300 /nfs/dbraw/zinc/00/73/00/844007300.db2.gz IBMDGTPIFBOPSJ-LBPRGKRZSA-N 1 0 384.402 3.931 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CCC1CCOCC1 ZINC000120646430 844637766 /nfs/dbraw/zinc/63/77/66/844637766.db2.gz GVZTYCGYYNJSOP-OAHLLOKOSA-N 1 0 389.565 3.964 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC[C@H]21 ZINC000610815156 844648612 /nfs/dbraw/zinc/64/86/12/844648612.db2.gz KOCBSZQSAKSUOD-FXAWDEMLSA-N 1 0 391.475 3.694 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000432957994 844739997 /nfs/dbraw/zinc/73/99/97/844739997.db2.gz DJVCNJFWSWTTAG-KPRXVCGWSA-N 1 0 393.535 3.623 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512611905 844742430 /nfs/dbraw/zinc/74/24/30/844742430.db2.gz MSJKSXLYDJEOKK-JSGCOSHPSA-N 1 0 393.256 3.550 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458295055 844805168 /nfs/dbraw/zinc/80/51/68/844805168.db2.gz QFZMTVUWEFZUFY-OAQYLSRUSA-N 1 0 399.466 3.680 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000181217768 844826865 /nfs/dbraw/zinc/82/68/65/844826865.db2.gz KCKSMUOZMXNAGB-OAHLLOKOSA-N 1 0 383.458 3.976 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001141907982 861505031 /nfs/dbraw/zinc/50/50/31/861505031.db2.gz VVRDDCSTGKLEHL-ROUUACIJSA-N 1 0 380.305 3.719 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)cc1C)[NH+]1CCCCC1 ZINC000162215803 861511233 /nfs/dbraw/zinc/51/12/33/861511233.db2.gz RNRQKRMGNNJSHT-OAQYLSRUSA-N 1 0 377.488 3.832 20 30 GHEDRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(C#N)cc1F ZINC000512662015 844915461 /nfs/dbraw/zinc/91/54/61/844915461.db2.gz VMPONLMDAQLQGO-HNNXBMFYSA-N 1 0 380.467 3.568 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc4ccnc(Cl)c4s3)CC2)nc1 ZINC000894218404 844992407 /nfs/dbraw/zinc/99/24/07/844992407.db2.gz AWMJSKUWFIQYRN-UHFFFAOYSA-N 1 0 383.908 3.975 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)ccn1 ZINC000610993505 845072803 /nfs/dbraw/zinc/07/28/03/845072803.db2.gz RZJPTDFNXOLVOB-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO C/C=C\c1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(OC)c1 ZINC000599685516 861528412 /nfs/dbraw/zinc/52/84/12/861528412.db2.gz FDTHYJDODZVIIN-OMUFJYGLSA-N 1 0 392.499 3.592 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000599685530 861528469 /nfs/dbraw/zinc/52/84/69/861528469.db2.gz FMOCUBBTKDGOSO-INIZCTEOSA-N 1 0 391.298 3.857 20 30 GHEDRO N#CCCC[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000458831258 845125381 /nfs/dbraw/zinc/12/53/81/845125381.db2.gz GZBBUNIWFPQXNY-JOCHJYFZSA-N 1 0 398.551 3.565 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)cc2F)n1 ZINC000329493275 861537340 /nfs/dbraw/zinc/53/73/40/861537340.db2.gz WNVOFAMYHKZGHX-CRAIPNDOSA-N 1 0 385.487 3.732 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000673738159 861546426 /nfs/dbraw/zinc/54/64/26/861546426.db2.gz SKFOEKPLWJJQSO-UHFFFAOYSA-N 1 0 396.535 3.630 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C1(c2ccccc2)CCCC1 ZINC000614222347 845291955 /nfs/dbraw/zinc/29/19/55/845291955.db2.gz AIHBRGBBDDDRFY-UGKGYDQZSA-N 1 0 378.516 3.982 20 30 GHEDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513521584 845575105 /nfs/dbraw/zinc/57/51/05/845575105.db2.gz OIDBZUUNNTVUOS-SFHVURJKSA-N 1 0 377.488 3.599 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000178519192 845969288 /nfs/dbraw/zinc/96/92/88/845969288.db2.gz XIZSDYFQERTBKG-GOTSBHOMSA-N 1 0 388.515 3.754 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccco2)c2ccccc2OC)CC1 ZINC000151938887 845984970 /nfs/dbraw/zinc/98/49/70/845984970.db2.gz ZLGJUMWIQOJCBS-OAQYLSRUSA-N 1 0 383.492 3.717 20 30 GHEDRO Cc1ccccc1C[C@@H](C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000599750606 861629000 /nfs/dbraw/zinc/62/90/00/861629000.db2.gz LOXZCVNHRWFASL-HXUWFJFHSA-N 1 0 375.516 3.848 20 30 GHEDRO C=C(C)[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000187755131 846059576 /nfs/dbraw/zinc/05/95/76/846059576.db2.gz LYRYIOMQGYZTEA-LJQANCHMSA-N 1 0 381.444 3.654 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCCC2(O)CCC2)cc1OC ZINC000421367671 846179491 /nfs/dbraw/zinc/17/94/91/846179491.db2.gz FQORMDXTZBBKAQ-UHFFFAOYSA-N 1 0 384.314 3.807 20 30 GHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000280262744 846344304 /nfs/dbraw/zinc/34/43/04/846344304.db2.gz CMGRLFFZVCEGPV-KWDCZQRMSA-N 1 0 398.510 3.552 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000280514530 846431512 /nfs/dbraw/zinc/43/15/12/846431512.db2.gz DIZWOKCUHXVQNI-SJORKVTESA-N 1 0 384.785 3.587 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[N@H+](C)CC[C@@H]2C)cc1OCC ZINC000513756161 846488353 /nfs/dbraw/zinc/48/83/53/846488353.db2.gz WTIYFVWVVPCKGW-HNNXBMFYSA-N 1 0 397.357 3.939 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(F)c(OC(F)(F)F)c1)CC2 ZINC001143439870 846519415 /nfs/dbraw/zinc/51/94/15/846519415.db2.gz FNOYDEREXJFKRG-UHFFFAOYSA-N 1 0 386.389 3.867 20 30 GHEDRO N#Cc1cc(F)ccc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582210880 846652246 /nfs/dbraw/zinc/65/22/46/846652246.db2.gz MXDHKEFESBTDID-IEBWSBKVSA-N 1 0 378.451 3.683 20 30 GHEDRO CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000502940556 846656548 /nfs/dbraw/zinc/65/65/48/846656548.db2.gz RDQWJNHCULDPNO-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO COc1cc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(F)cc1C#N ZINC000599816222 861715716 /nfs/dbraw/zinc/71/57/16/861715716.db2.gz CJHAGYOTKPLDQS-YOEHRIQHSA-N 1 0 382.439 3.663 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366459502 846792971 /nfs/dbraw/zinc/79/29/71/846792971.db2.gz WRDYJDGTFFOLKC-UHFFFAOYSA-N 1 0 397.567 3.527 20 30 GHEDRO CN(C)C(=O)C1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCCC1 ZINC000237128933 846802993 /nfs/dbraw/zinc/80/29/93/846802993.db2.gz OQZPQXDVJWENNK-UHFFFAOYSA-N 1 0 391.515 3.875 20 30 GHEDRO C[N@H+]1CC=C(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000271914581 846948626 /nfs/dbraw/zinc/94/86/26/846948626.db2.gz JECZTZALCHZQRJ-UHFFFAOYSA-N 1 0 390.487 3.715 20 30 GHEDRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)c(C)c2c1 ZINC000582387109 847050463 /nfs/dbraw/zinc/05/04/63/847050463.db2.gz ICDJKLIZMSQQCX-FUHWJXTLSA-N 1 0 394.471 3.906 20 30 GHEDRO COc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c(F)cc1C#N ZINC000599810262 861751101 /nfs/dbraw/zinc/75/11/01/861751101.db2.gz PKHWRJKTMMNFOK-MRXNPFEDSA-N 1 0 396.466 3.692 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(C#N)c1C)[NH+]1CCCC1 ZINC000178576581 847188785 /nfs/dbraw/zinc/18/87/85/847188785.db2.gz QXRFNLZJFMXYMG-FQEVSTJZSA-N 1 0 378.476 3.834 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000272963918 847216650 /nfs/dbraw/zinc/21/66/50/847216650.db2.gz OABMXXHJQFOSKO-JMQGSBJISA-N 1 0 397.544 3.638 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccc(C#N)s3)cc2)CC1 ZINC000420766595 847434171 /nfs/dbraw/zinc/43/41/71/847434171.db2.gz SKYQLSOZIYAZOI-UHFFFAOYSA-N 1 0 382.533 3.851 20 30 GHEDRO CCOC(=O)CC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000159045779 847456858 /nfs/dbraw/zinc/45/68/58/847456858.db2.gz NDASCFUOCCMLFP-UHFFFAOYSA-N 1 0 380.492 3.629 20 30 GHEDRO CCN(CC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)Cc1ccccc1Cl ZINC000503227987 847495025 /nfs/dbraw/zinc/49/50/25/847495025.db2.gz YCXHKFZWLUONOJ-OAQYLSRUSA-N 1 0 397.906 3.634 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420917615 847538275 /nfs/dbraw/zinc/53/82/75/847538275.db2.gz SYLQDSOLTDHRTL-DNQXCXABSA-N 1 0 375.516 3.791 20 30 GHEDRO O=C(c1ccc2c(c1)CCO2)C(C(=S)NCc1ccccc1)[n+]1ccccc1 ZINC000121817972 847549542 /nfs/dbraw/zinc/54/95/42/847549542.db2.gz DKMAFQGCSGUEOH-UHFFFAOYSA-O 1 0 389.500 3.638 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)c(C#N)c1C ZINC000503525354 847769367 /nfs/dbraw/zinc/76/93/67/847769367.db2.gz DEVGZASFBXTGKU-BEVDRBHNSA-N 1 0 381.476 3.823 20 30 GHEDRO CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000503745587 847919300 /nfs/dbraw/zinc/91/93/00/847919300.db2.gz GZHDGDCJVAJQGJ-YADHBBJMSA-N 1 0 382.552 3.990 20 30 GHEDRO CCc1ccc([C@H](C#N)NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000582750541 848282124 /nfs/dbraw/zinc/28/21/24/848282124.db2.gz UXTKCBNZQUHVRZ-QHCPKHFHSA-N 1 0 390.531 3.532 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000604145153 861888905 /nfs/dbraw/zinc/88/89/05/861888905.db2.gz BYIAWAFGBRVRKV-PZJWPPBQSA-N 1 0 383.467 3.520 20 30 GHEDRO Cc1cc(Cl)cnc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000329640180 861890725 /nfs/dbraw/zinc/89/07/25/861890725.db2.gz WZWNOVHJRFZZFK-IYBDPMFKSA-N 1 0 394.947 3.800 20 30 GHEDRO C=CCC1([NH2+]Cc2ncc(Br)cc2Br)CCOCC1 ZINC000657633132 848391034 /nfs/dbraw/zinc/39/10/34/848391034.db2.gz IGHIQEDYLXYFBH-UHFFFAOYSA-N 1 0 390.119 3.822 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000180044655 861921726 /nfs/dbraw/zinc/92/17/26/861921726.db2.gz LYCXEOFTLYTYID-NRFANRHFSA-N 1 0 385.471 3.980 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000582875002 848624223 /nfs/dbraw/zinc/62/42/23/848624223.db2.gz YCVJSHDRPURNLC-GCJKJVERSA-N 1 0 379.504 3.577 20 30 GHEDRO N#CC1(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)CCCCC1 ZINC000329668938 861980363 /nfs/dbraw/zinc/98/03/63/861980363.db2.gz RFYRETZZUFBACE-UHFFFAOYSA-N 1 0 389.565 3.566 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)sc2C1 ZINC000583130215 849138323 /nfs/dbraw/zinc/13/83/23/849138323.db2.gz DZOVASCAKLAPND-JNZMBRMSSA-N 1 0 399.560 3.620 20 30 GHEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000583231963 849391775 /nfs/dbraw/zinc/39/17/75/849391775.db2.gz SCZBXNUSEPIRAM-QGOAFFKASA-N 1 0 378.476 3.934 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000583349804 849691756 /nfs/dbraw/zinc/69/17/56/849691756.db2.gz WMRXPNDSKLEGCB-OAQYLSRUSA-N 1 0 389.499 3.582 20 30 GHEDRO Cn1c(C[NH2+]CCOCC(F)(F)C(F)F)nc2cc(C(F)(F)F)ccc21 ZINC000434783505 849770860 /nfs/dbraw/zinc/77/08/60/849770860.db2.gz AYVDFIUOXUBYTM-UHFFFAOYSA-N 1 0 387.299 3.599 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)C1 ZINC000504010637 849842871 /nfs/dbraw/zinc/84/28/71/849842871.db2.gz OJPWTUYCPWVLNH-RTBURBONSA-N 1 0 382.552 4.000 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000425234794 849876689 /nfs/dbraw/zinc/87/66/89/849876689.db2.gz HVKDGNZMTZVMKX-CQSZACIVSA-N 1 0 380.883 3.892 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000180311253 862067132 /nfs/dbraw/zinc/06/71/32/862067132.db2.gz AUBMGBGBIBEMEM-SIKLNZKXSA-N 1 0 383.467 3.590 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000504082064 849887535 /nfs/dbraw/zinc/88/75/35/849887535.db2.gz VYUHFRILQXPIEV-QHCPKHFHSA-N 1 0 388.515 3.530 20 30 GHEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000486782502 850090408 /nfs/dbraw/zinc/09/04/08/850090408.db2.gz ONGCKXHRBHFVOY-OXJNMPFZSA-N 1 0 388.556 3.852 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329690898 862091789 /nfs/dbraw/zinc/09/17/89/862091789.db2.gz BRRQRSPZILUISX-IRXDYDNUSA-N 1 0 384.524 3.792 20 30 GHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000504549978 850142341 /nfs/dbraw/zinc/14/23/41/850142341.db2.gz XLZUEBDDFJFRSY-JOCHJYFZSA-N 1 0 385.508 3.525 20 30 GHEDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000514721974 850214566 /nfs/dbraw/zinc/21/45/66/850214566.db2.gz LCJGFHCLKQNJGQ-GSHUGGBRSA-N 1 0 376.504 3.974 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000424121210 850234747 /nfs/dbraw/zinc/23/47/47/850234747.db2.gz HOWAOPBQHWMYKG-QGZVFWFLSA-N 1 0 384.307 3.522 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1C#N ZINC000426454479 850240007 /nfs/dbraw/zinc/24/00/07/850240007.db2.gz PUOGSNSJZMVMDM-CTNGQTDRSA-N 1 0 376.504 3.838 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000424125845 850240502 /nfs/dbraw/zinc/24/05/02/850240502.db2.gz OJBUGMCJHXMLIC-ABHNRTSZSA-N 1 0 375.586 3.733 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424148266 850249863 /nfs/dbraw/zinc/24/98/63/850249863.db2.gz ZURNPBVZPVXLQQ-ABAIWWIYSA-N 1 0 376.913 3.970 20 30 GHEDRO Cc1sc([C@H](C)NC(=O)[C@H]([NH3+])CCCC#N)nc1-c1ccc(Cl)cc1 ZINC000424131159 850256672 /nfs/dbraw/zinc/25/66/72/850256672.db2.gz VYTUPNCQMDPLAK-XHDPSFHLSA-N 1 0 376.913 3.970 20 30 GHEDRO COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N)CCO2 ZINC000424132688 850260387 /nfs/dbraw/zinc/26/03/87/850260387.db2.gz WODMIOAACPPFSN-SFTDATJTSA-N 1 0 393.487 3.569 20 30 GHEDRO CN(C(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000435261431 850302074 /nfs/dbraw/zinc/30/20/74/850302074.db2.gz AMEPBOFSASJLAK-UHFFFAOYSA-N 1 0 389.499 3.727 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000424240313 850327423 /nfs/dbraw/zinc/32/74/23/850327423.db2.gz IFFUWQBOXSICGQ-KRWDZBQOSA-N 1 0 377.602 3.981 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487064774 850400658 /nfs/dbraw/zinc/40/06/58/850400658.db2.gz JPWNKTNXAJVAKR-DENIHFKCSA-N 1 0 393.531 3.961 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+](CCO)C2CCC2)cc1OCC ZINC000439788340 850401983 /nfs/dbraw/zinc/40/19/83/850401983.db2.gz HWCQNJMXHVZICZ-UHFFFAOYSA-N 1 0 384.314 3.759 20 30 GHEDRO C[C@@H](c1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1)N1CCOCC1 ZINC000435363583 850427538 /nfs/dbraw/zinc/42/75/38/850427538.db2.gz LLHNMZQIRKBSGK-KRWDZBQOSA-N 1 0 375.472 3.622 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[NH+](C)C ZINC000504984380 850507669 /nfs/dbraw/zinc/50/76/69/850507669.db2.gz CVJQCWKCJKVPBJ-CXAGYDPISA-N 1 0 390.409 3.702 20 30 GHEDRO C=CCCc1ccccc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000505011150 850521246 /nfs/dbraw/zinc/52/12/46/850521246.db2.gz QVMGUKPJXVCMMP-GGAORHGYSA-N 1 0 393.531 3.810 20 30 GHEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000444783036 862139529 /nfs/dbraw/zinc/13/95/29/862139529.db2.gz KDMNVUIHXHXFBW-QFBILLFUSA-N 1 0 378.394 3.890 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2)cc1 ZINC000505124053 850623618 /nfs/dbraw/zinc/62/36/18/850623618.db2.gz KCQWMHZJANQCFC-UHFFFAOYSA-N 1 0 395.422 3.800 20 30 GHEDRO C=C(C)Cn1c(C2CCOCC2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000909281648 850685148 /nfs/dbraw/zinc/68/51/48/850685148.db2.gz MCSLCOPZQLJYCD-UHFFFAOYSA-N 1 0 387.572 3.593 20 30 GHEDRO CCCc1c(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000440080959 850770107 /nfs/dbraw/zinc/77/01/07/850770107.db2.gz ZXZNZZYNCGCCSA-ZACQAIPSSA-N 1 0 379.508 3.896 20 30 GHEDRO Cc1oc(C#N)cc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000435700989 850781527 /nfs/dbraw/zinc/78/15/27/850781527.db2.gz MJULDRPQUDVTRT-UHFFFAOYSA-N 1 0 380.448 3.527 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000424933636 850794305 /nfs/dbraw/zinc/79/43/05/850794305.db2.gz RHJBZXDLFIKFPS-RYQLBKOJSA-N 1 0 384.442 3.796 20 30 GHEDRO CC(C)(CCC#N)C[NH2+][C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000488003886 851058817 /nfs/dbraw/zinc/05/88/17/851058817.db2.gz CZSHYSAVODSECI-OAQYLSRUSA-N 1 0 393.487 3.692 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000425437109 851099008 /nfs/dbraw/zinc/09/90/08/851099008.db2.gz ZBQMUEWOHOLXMA-PXNSSMCTSA-N 1 0 380.492 3.999 20 30 GHEDRO Cc1nc(SCC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000604440492 862207694 /nfs/dbraw/zinc/20/76/94/862207694.db2.gz CUHRTBNLNDFXFZ-AWEZNQCLSA-N 1 0 388.581 3.597 20 30 GHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000604475243 862218382 /nfs/dbraw/zinc/21/83/82/862218382.db2.gz QARXRDUOCMJWRV-KRWDZBQOSA-N 1 0 379.464 3.597 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000120794997 851256767 /nfs/dbraw/zinc/25/67/67/851256767.db2.gz CWQJPHFSBYBQRT-VXKWHMMOSA-N 1 0 397.567 3.668 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSCc1ccc(F)cc1 ZINC000604482726 862227004 /nfs/dbraw/zinc/22/70/04/862227004.db2.gz AIIGODMTLPWHTH-UHFFFAOYSA-N 1 0 385.508 3.521 20 30 GHEDRO CC[N@H+](Cc1cccc(Br)c1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488276340 851357267 /nfs/dbraw/zinc/35/72/67/851357267.db2.gz AVFXSQNDKUOZDP-KSSFIOAISA-N 1 0 380.330 3.714 20 30 GHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000515721468 851390361 /nfs/dbraw/zinc/39/03/61/851390361.db2.gz SKNMLVURWYIIAP-UHFFFAOYSA-N 1 0 397.544 3.801 20 30 GHEDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000505782759 851390484 /nfs/dbraw/zinc/39/04/84/851390484.db2.gz JXDYFLHUGCXCLG-PGRDOPGGSA-N 1 0 391.515 3.588 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000425124988 851437590 /nfs/dbraw/zinc/43/75/90/851437590.db2.gz FTEXDGKOGQEMAV-FQEVSTJZSA-N 1 0 390.531 3.598 20 30 GHEDRO CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434733355 851555051 /nfs/dbraw/zinc/55/50/51/851555051.db2.gz AYZSEGCQMOLDQX-ICSRJNTNSA-N 1 0 386.446 3.679 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425552978 851630985 /nfs/dbraw/zinc/63/09/85/851630985.db2.gz LOQRYTFSRZJLLX-YLJYHZDGSA-N 1 0 388.577 3.932 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)C1 ZINC000329730641 862273039 /nfs/dbraw/zinc/27/30/39/862273039.db2.gz GHACDURHZBGDQL-CRAIPNDOSA-N 1 0 392.931 3.545 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000111491263 851708466 /nfs/dbraw/zinc/70/84/66/851708466.db2.gz MTJLDDGJEVHKRZ-OAQYLSRUSA-N 1 0 393.531 3.615 20 30 GHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H](C)C1 ZINC000488732739 851727580 /nfs/dbraw/zinc/72/75/80/851727580.db2.gz KGBRCTPOEULTKZ-IQUTYRLHSA-N 1 0 386.446 3.874 20 30 GHEDRO CCOc1ccc([C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)C(C)C)cc1OCC ZINC000550153413 851755859 /nfs/dbraw/zinc/75/58/59/851755859.db2.gz HYVVGESVPXLEAL-NRFANRHFSA-N 1 0 393.491 3.885 20 30 GHEDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000030534847 862292915 /nfs/dbraw/zinc/29/29/15/862292915.db2.gz ACYMLGCRSRXZCI-QAPCUYQASA-N 1 0 376.403 3.640 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC(=O)N[C@H](CC)C1 ZINC000329766872 862305230 /nfs/dbraw/zinc/30/52/30/862305230.db2.gz YRUWKRPBPYFPHG-HZPDHXFCSA-N 1 0 388.512 3.570 20 30 GHEDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1c(C)nn(C)c1C ZINC000329768064 862305741 /nfs/dbraw/zinc/30/57/41/862305741.db2.gz GEEKOVMEUCOASM-HXUWFJFHSA-N 1 0 389.588 3.990 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000517559982 852097876 /nfs/dbraw/zinc/09/78/76/852097876.db2.gz VEGSOYGLXCISGM-QGZVFWFLSA-N 1 0 383.879 3.918 20 30 GHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000489184937 852099391 /nfs/dbraw/zinc/09/93/91/852099391.db2.gz MJPNGLAWALVNMP-DENIHFKCSA-N 1 0 375.472 3.552 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc(F)cc1C#N ZINC000473826292 852191066 /nfs/dbraw/zinc/19/10/66/852191066.db2.gz DRBSTVOVXHJHNO-HZPDHXFCSA-N 1 0 380.467 3.975 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000329800662 862330921 /nfs/dbraw/zinc/33/09/21/862330921.db2.gz IUHSSLKDMAGZSZ-NXHRZFHOSA-N 1 0 383.496 3.660 20 30 GHEDRO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000329806131 862332970 /nfs/dbraw/zinc/33/29/70/862332970.db2.gz LDRXZVZCXUTHFZ-OTWHNJEPSA-N 1 0 389.496 3.589 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000508451479 862343673 /nfs/dbraw/zinc/34/36/73/862343673.db2.gz CCOQDCBCLWWGCL-HXUWFJFHSA-N 1 0 382.552 3.795 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000329821667 862348165 /nfs/dbraw/zinc/34/81/65/862348165.db2.gz GXAYLZYROQZLCU-MSOLQXFVSA-N 1 0 396.491 3.905 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000438453774 852418148 /nfs/dbraw/zinc/41/81/48/852418148.db2.gz HNTVPOCRITXCPC-NHCUHLMSSA-N 1 0 379.589 3.757 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000438456459 852422610 /nfs/dbraw/zinc/42/26/10/852422610.db2.gz PWMZLGMGYWCCIJ-MJGOQNOKSA-N 1 0 379.570 3.583 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2cccc(OC)c2CC1 ZINC000489535396 852426312 /nfs/dbraw/zinc/42/63/12/852426312.db2.gz WAJSSEQNOCAVGT-QGZVFWFLSA-N 1 0 384.545 3.761 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438443064 852427493 /nfs/dbraw/zinc/42/74/93/852427493.db2.gz KZZIJKCFLCHKTD-NMIHRBCNSA-N 1 0 385.552 3.835 20 30 GHEDRO N#CCOc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000048515957 852466350 /nfs/dbraw/zinc/46/63/50/852466350.db2.gz ZBHCATYULXJQQU-UHFFFAOYSA-N 1 0 378.476 3.897 20 30 GHEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000481841588 862380091 /nfs/dbraw/zinc/38/00/91/862380091.db2.gz YCIPXPMFRIBJLP-QFBILLFUSA-N 1 0 394.357 3.756 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000489975404 852686055 /nfs/dbraw/zinc/68/60/55/852686055.db2.gz DHGOBVQGZOEKHT-IBGZPJMESA-N 1 0 395.341 3.598 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000438668052 852687724 /nfs/dbraw/zinc/68/77/24/852687724.db2.gz DRTUVRCOWMDFDF-OAHLLOKOSA-N 1 0 384.446 3.925 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000516553450 852710115 /nfs/dbraw/zinc/71/01/15/852710115.db2.gz LROWJLNEQRYAND-QFIPXVFZSA-N 1 0 376.504 3.831 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000490034998 852718140 /nfs/dbraw/zinc/71/81/40/852718140.db2.gz VKVOIJXALZXFRS-RXVVDRJESA-N 1 0 375.472 3.552 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c(OC)c1 ZINC000490047687 852734760 /nfs/dbraw/zinc/73/47/60/852734760.db2.gz FLNREFJLOPCTGP-FCHUYYIVSA-N 1 0 396.531 3.740 20 30 GHEDRO C=CCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000507285281 852754355 /nfs/dbraw/zinc/75/43/55/852754355.db2.gz RSQHGYNRRUNLOH-NRFANRHFSA-N 1 0 382.548 3.778 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cc2ccccc2o1 ZINC000120824417 852761444 /nfs/dbraw/zinc/76/14/44/852761444.db2.gz WLZMDIYRFSTBEU-UHFFFAOYSA-N 1 0 390.487 3.620 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC[C@@H]1CCCCC ZINC000669032260 852768082 /nfs/dbraw/zinc/76/80/82/852768082.db2.gz FPHUZRXFKPCSOH-ZCNNSNEGSA-N 1 0 387.572 3.939 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC1(O)CCC(C)CC1 ZINC000438778978 852843884 /nfs/dbraw/zinc/84/38/84/852843884.db2.gz DUPMNUYPRYKINB-UHFFFAOYSA-N 1 0 378.586 3.526 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000516820001 853038681 /nfs/dbraw/zinc/03/86/81/853038681.db2.gz NWANJNHMAIMMNA-JOCHJYFZSA-N 1 0 378.451 3.827 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000506041943 853054635 /nfs/dbraw/zinc/05/46/35/853054635.db2.gz ZEYWTRDFBZEWCN-UHFFFAOYSA-N 1 0 377.463 3.641 20 30 GHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437429955 853105431 /nfs/dbraw/zinc/10/54/31/853105431.db2.gz WHPYUVKAPDNLGE-RHSMWYFYSA-N 1 0 379.451 3.676 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1(c2ccccc2)CCCC1 ZINC000481867128 862429340 /nfs/dbraw/zinc/42/93/40/862429340.db2.gz YENKLWLNRCZFBQ-SFHVURJKSA-N 1 0 382.529 3.822 20 30 GHEDRO CN1CCN([C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)c2cccs2)CC1 ZINC000518249377 853133882 /nfs/dbraw/zinc/13/38/82/853133882.db2.gz FEBWCKUNHVNVLO-OAQYLSRUSA-N 1 0 398.576 3.509 20 30 GHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000516943547 853166732 /nfs/dbraw/zinc/16/67/32/853166732.db2.gz BMGHSHSTKYXBHT-QFIPXVFZSA-N 1 0 398.514 3.538 20 30 GHEDRO CC[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NCc1c(C)noc1C ZINC000261966971 853170540 /nfs/dbraw/zinc/17/05/40/853170540.db2.gz PZWIKPPHJVSWJW-UHFFFAOYSA-N 1 0 377.901 3.810 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000913258592 853190504 /nfs/dbraw/zinc/19/05/04/853190504.db2.gz ZLTHFGNJPQXECL-IBGZPJMESA-N 1 0 385.533 3.931 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@](C)(O)CC2)c2cccs2)CC1 ZINC000329936052 862437269 /nfs/dbraw/zinc/43/72/69/862437269.db2.gz KTQLHIVTIRQKHJ-YLJYHZDGSA-N 1 0 379.570 3.672 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(OC)c1 ZINC000437529560 853231283 /nfs/dbraw/zinc/23/12/83/853231283.db2.gz YJYIDCGFMFARTH-DBXWQHBBSA-N 1 0 377.550 3.523 20 30 GHEDRO C#C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)cc1 ZINC000894870358 853281938 /nfs/dbraw/zinc/28/19/38/853281938.db2.gz KTNIXBNXQHWTNM-SFHVURJKSA-N 1 0 387.277 3.611 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000894873505 853292004 /nfs/dbraw/zinc/29/20/04/853292004.db2.gz MROFGMZZRCQLDF-NJDAHSKKSA-N 1 0 384.520 3.562 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C3CC3)C2)c1C#N ZINC000491172468 853479064 /nfs/dbraw/zinc/47/90/64/853479064.db2.gz FKYZRDCLCXKBHU-FQEVSTJZSA-N 1 0 376.504 3.695 20 30 GHEDRO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000519907996 853599805 /nfs/dbraw/zinc/59/98/05/853599805.db2.gz AGCNVCAAESPLSY-GOSISDBHSA-N 1 0 379.504 3.902 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCOc2c(OC)cccc21)C(C)C ZINC000586983006 853614498 /nfs/dbraw/zinc/61/44/98/853614498.db2.gz VDXIIRRGDJOZMT-OALUTQOASA-N 1 0 387.524 3.517 20 30 GHEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC)cc1 ZINC000055009402 853628173 /nfs/dbraw/zinc/62/81/73/853628173.db2.gz NIQXAGFYMLNOJN-UHFFFAOYSA-O 1 0 399.536 3.807 20 30 GHEDRO COc1ccc(OC)c(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000329997356 862491494 /nfs/dbraw/zinc/49/14/94/862491494.db2.gz QKQUOVTWSPIPMZ-UHFFFAOYSA-N 1 0 375.513 3.505 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000518741562 853699855 /nfs/dbraw/zinc/69/98/55/853699855.db2.gz BYJHTKIVVZMWGE-UHFFFAOYSA-N 1 0 387.543 3.537 20 30 GHEDRO C=CCC[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccc(C(F)(F)F)cc1 ZINC000440855246 853703710 /nfs/dbraw/zinc/70/37/10/853703710.db2.gz FMORFQYPMOQNJP-ZWKOTPCHSA-N 1 0 399.457 3.733 20 30 GHEDRO Cc1cc(C)nc(-n2cc(C(=O)NC3CC([NH+]4CCCCC4)C3)c(C(C)C)n2)n1 ZINC000330014122 862507572 /nfs/dbraw/zinc/50/75/72/862507572.db2.gz ANCJRBPIZDUTGM-UHFFFAOYSA-N 1 0 396.539 3.724 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000481912161 862509220 /nfs/dbraw/zinc/50/92/20/862509220.db2.gz IOBCZRGMEBJVMW-VWNXMTODSA-N 1 0 375.516 3.816 20 30 GHEDRO C=CCc1cc(C[N@H+](C)Cc2cc(Br)cn2C)c(O)c(OC)c1 ZINC000164491363 854045660 /nfs/dbraw/zinc/04/56/60/854045660.db2.gz QIXKNQMXKUJQRT-UHFFFAOYSA-N 1 0 379.298 3.862 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)NCC3CCC(C#N)CC3)c(C)c2)CC1 ZINC000441310026 854086645 /nfs/dbraw/zinc/08/66/45/854086645.db2.gz POXKFHISEFWFJL-UHFFFAOYSA-N 1 0 383.540 3.588 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000520331870 854089550 /nfs/dbraw/zinc/08/95/50/854089550.db2.gz LBKVUTMHVSXUFG-UHFFFAOYSA-N 1 0 392.503 3.938 20 30 GHEDRO COc1cc(C[NH2+]Cc2ccc(I)c(C)c2)ccc1C#N ZINC000441368190 854151294 /nfs/dbraw/zinc/15/12/94/854151294.db2.gz AYNSQTRXNQFDCW-UHFFFAOYSA-N 1 0 392.240 3.770 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000481929917 862535548 /nfs/dbraw/zinc/53/55/48/862535548.db2.gz WAVUAWSHMKKNOA-QFIPXVFZSA-N 1 0 382.529 3.920 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCSC1 ZINC000330078190 862557948 /nfs/dbraw/zinc/55/79/48/862557948.db2.gz NMXLDGNASMTCMD-IBGZPJMESA-N 1 0 391.537 3.881 20 30 GHEDRO CCCCNC(=O)[C@H]1CCCN(CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051058060 854379322 /nfs/dbraw/zinc/37/93/22/854379322.db2.gz DDBXGVJHBGWFGL-AWEZNQCLSA-N 1 0 390.509 3.619 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000458893319 854473113 /nfs/dbraw/zinc/47/31/13/854473113.db2.gz MIAVBFUZBLOLNG-HXUWFJFHSA-N 1 0 382.533 3.724 20 30 GHEDRO C[C@@H]1C[C@H](C)[C@@H](C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)O1 ZINC000328641794 854487017 /nfs/dbraw/zinc/48/70/17/854487017.db2.gz DLODVFBQMGMLGE-KHYOSLBOSA-N 1 0 380.916 3.953 20 30 GHEDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000328650360 854490009 /nfs/dbraw/zinc/49/00/09/854490009.db2.gz AYJMYYQHMKGFJC-LJQANCHMSA-N 1 0 375.557 3.638 20 30 GHEDRO CC1(C)c2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2NC1=O ZINC000328704791 854516138 /nfs/dbraw/zinc/51/61/38/854516138.db2.gz OZWTTZGNDRDERZ-UHFFFAOYSA-N 1 0 385.508 3.906 20 30 GHEDRO O=C(CC1CCCCC1)NCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000328714618 854519267 /nfs/dbraw/zinc/51/92/67/854519267.db2.gz CNORSQAXAIFVTK-UHFFFAOYSA-N 1 0 378.561 3.778 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000328743307 854524469 /nfs/dbraw/zinc/52/44/69/854524469.db2.gz OIOOEEBAIHUMAM-RNTGTLJKSA-N 1 0 399.579 3.731 20 30 GHEDRO CCOc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000045350359 854538000 /nfs/dbraw/zinc/53/80/00/854538000.db2.gz JFXUFJPDGHTXTA-GOSISDBHSA-N 1 0 394.519 3.791 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 ZINC000328789362 854557849 /nfs/dbraw/zinc/55/78/49/854557849.db2.gz KSMCKSQPBRGIGZ-IIZPIQPGSA-N 1 0 394.519 3.592 20 30 GHEDRO Cc1nc(-c2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)cc2)cc(=O)[nH]1 ZINC000328830578 854564494 /nfs/dbraw/zinc/56/44/94/854564494.db2.gz KNWTVIYRMQHPID-OAHLLOKOSA-N 1 0 397.523 3.994 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NC1CC([NH+]3CCCCC3)C1)CC2 ZINC000330112274 862583094 /nfs/dbraw/zinc/58/30/94/862583094.db2.gz RPTKHZVSYXHOPC-NFOMZHRRSA-N 1 0 396.457 3.882 20 30 GHEDRO CC(C)(CCC#N)CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000589080262 854677158 /nfs/dbraw/zinc/67/71/58/854677158.db2.gz ROGYLICVZREGED-IBGZPJMESA-N 1 0 381.442 3.887 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc4c3OCCCO4)C2)c(F)c1 ZINC000518818709 854688728 /nfs/dbraw/zinc/68/87/28/854688728.db2.gz NYNVAHHSFWOBEC-SFHVURJKSA-N 1 0 381.451 3.617 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000589241995 854756787 /nfs/dbraw/zinc/75/67/87/854756787.db2.gz BPTJJIALCHSSAP-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO C[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(C#N)cc1 ZINC000589325190 854791364 /nfs/dbraw/zinc/79/13/64/854791364.db2.gz VEGAOPIZPZAPBR-CDNPAEQRSA-N 1 0 388.515 3.783 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)NC1(C#N)CCCCC1 ZINC000331220303 854827537 /nfs/dbraw/zinc/82/75/37/854827537.db2.gz JHGYPMHFKWBFOR-NWDGAFQWSA-N 1 0 384.343 3.892 20 30 GHEDRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330143792 862612918 /nfs/dbraw/zinc/61/29/18/862612918.db2.gz ZDGPOXDNOVVGGX-UHFFFAOYSA-N 1 0 381.423 3.546 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(C(F)(F)F)c1 ZINC000589494543 854908377 /nfs/dbraw/zinc/90/83/77/854908377.db2.gz DFSHIDBJDBZJPB-UHFFFAOYSA-N 1 0 385.393 3.999 20 30 GHEDRO CN(C)C(=O)C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000589503991 854912554 /nfs/dbraw/zinc/91/25/54/854912554.db2.gz KXVOLYVIHZMSMT-GOSISDBHSA-N 1 0 375.394 3.886 20 30 GHEDRO O=C(Nc1ccccc1Br)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000330160582 862624177 /nfs/dbraw/zinc/62/41/77/862624177.db2.gz SCUMBKKQEIWMPR-OAHLLOKOSA-N 1 0 380.286 3.868 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CC(=C)C ZINC000669334236 855013372 /nfs/dbraw/zinc/01/33/72/855013372.db2.gz AFJNRFYWCIATPR-RTWAWAEBSA-N 1 0 393.535 3.583 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C1CCC(CC)CC1 ZINC000669334516 855034821 /nfs/dbraw/zinc/03/48/21/855034821.db2.gz HLXPHXXZBYRIGZ-TUNPWDSISA-N 1 0 387.572 3.795 20 30 GHEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1csc(C#N)c1 ZINC000921653109 855041570 /nfs/dbraw/zinc/04/15/70/855041570.db2.gz JOZRSXZBBJFUCM-UHFFFAOYSA-N 1 0 378.295 3.809 20 30 GHEDRO CC[N@H+](CCCNS(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC001212400387 855046449 /nfs/dbraw/zinc/04/64/49/855046449.db2.gz URTWTFLOONRGPX-UHFFFAOYSA-N 1 0 383.945 3.535 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H](C)c1cccs1)[n+]1ccccc1 ZINC000186966070 862640953 /nfs/dbraw/zinc/64/09/53/862640953.db2.gz VVEPFDZJFDOVNQ-LBPRGKRZSA-O 1 0 386.522 3.930 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)c1C#N ZINC000031654873 862645803 /nfs/dbraw/zinc/64/58/03/862645803.db2.gz IPWLSSBOFNBDAR-MRXNPFEDSA-N 1 0 380.492 3.819 20 30 GHEDRO C[C@H]([NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)NC1(C#N)CCC1 ZINC000590014368 855227695 /nfs/dbraw/zinc/22/76/95/855227695.db2.gz JKFKISUSPOIZFK-BLLLJJGKSA-N 1 0 390.325 3.613 20 30 GHEDRO C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330207764 862662199 /nfs/dbraw/zinc/66/21/99/862662199.db2.gz GGBUCCABJFACAK-MORSLUCNSA-N 1 0 398.906 3.971 20 30 GHEDRO CC[C@H](Oc1ccccc1C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000427579777 855297726 /nfs/dbraw/zinc/29/77/26/855297726.db2.gz MEJZGZQKONHMHO-NRFANRHFSA-N 1 0 379.504 3.615 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](CC3CC3)C2)c1C#N ZINC000590202389 855320090 /nfs/dbraw/zinc/32/00/90/855320090.db2.gz SACINVZNSKJMSL-SFHVURJKSA-N 1 0 380.492 3.678 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC2(CCCC2)c2ccccc21 ZINC000330218844 862669384 /nfs/dbraw/zinc/66/93/84/862669384.db2.gz JRVSAHJGZSZTPH-RTWAWAEBSA-N 1 0 383.536 3.610 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C#N)nc1 ZINC000590453325 855428174 /nfs/dbraw/zinc/42/81/74/855428174.db2.gz YIJSWQFBFMGJRA-HSZRJFAPSA-N 1 0 390.531 3.759 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000330232690 862680743 /nfs/dbraw/zinc/68/07/43/862680743.db2.gz FQIFRNKBORLLJQ-HXUWFJFHSA-N 1 0 381.524 3.848 20 30 GHEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190514995 855475221 /nfs/dbraw/zinc/47/52/21/855475221.db2.gz KMISVDDTJJPFBJ-SJORKVTESA-N 1 0 398.341 3.766 20 30 GHEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190515020 855475396 /nfs/dbraw/zinc/47/53/96/855475396.db2.gz KMISVDDTJJPFBJ-IAGOWNOFSA-N 1 0 398.341 3.766 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccsc2NC(=O)c2ccc(CC)cc2)CC1 ZINC000171715755 862684907 /nfs/dbraw/zinc/68/49/07/862684907.db2.gz OZEGOANWNNKBDG-UHFFFAOYSA-N 1 0 397.544 3.943 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000107603579 855492273 /nfs/dbraw/zinc/49/22/73/855492273.db2.gz GFVFOIJYTYDMPQ-UHFFFAOYSA-N 1 0 393.531 3.825 20 30 GHEDRO N#C[C@]1(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC12CCCC2 ZINC000590723598 855545686 /nfs/dbraw/zinc/54/56/86/855545686.db2.gz OODMDQPRMZOWLL-WHLIWEHUSA-N 1 0 377.532 3.877 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000330261056 862702435 /nfs/dbraw/zinc/70/24/35/862702435.db2.gz TXVNYEFZZREZSK-QNDFHXLGSA-N 1 0 385.552 3.747 20 30 GHEDRO C[C@H](CNc1nc(C(F)(F)F)ccc1C#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000301282505 855654413 /nfs/dbraw/zinc/65/44/13/855654413.db2.gz KMQRSEFRGHUEDP-OAHLLOKOSA-N 1 0 389.425 3.595 20 30 GHEDRO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1C ZINC000330268519 862706968 /nfs/dbraw/zinc/70/69/68/862706968.db2.gz RFMXXQXMTQWLTH-INIZCTEOSA-N 1 0 398.551 3.692 20 30 GHEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000590939401 855664826 /nfs/dbraw/zinc/66/48/26/855664826.db2.gz CTGPCGWZYOGTSL-FDDCHVKYSA-N 1 0 388.515 3.709 20 30 GHEDRO COc1ccccc1[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000301366951 855680231 /nfs/dbraw/zinc/68/02/31/855680231.db2.gz SPAVIHHDVRTACP-IBGZPJMESA-N 1 0 391.431 3.738 20 30 GHEDRO Cc1cccc(NC2CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000182880271 855700873 /nfs/dbraw/zinc/70/08/73/855700873.db2.gz VZDXFAUAHUTCLS-HSZRJFAPSA-N 1 0 388.515 3.939 20 30 GHEDRO CCc1nnc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C#N)c1CC ZINC000301615486 855726346 /nfs/dbraw/zinc/72/63/46/855726346.db2.gz JBIXBLSWDMONAO-IAGOWNOFSA-N 1 0 393.535 3.694 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1 ZINC000553991420 855733775 /nfs/dbraw/zinc/73/37/75/855733775.db2.gz IEJBGXWUGJMBOS-IBGZPJMESA-N 1 0 393.462 3.798 20 30 GHEDRO C[C@]1(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000330277798 862714275 /nfs/dbraw/zinc/71/42/75/862714275.db2.gz OULRJDITDZAETB-SIKLNZKXSA-N 1 0 381.524 3.558 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000591024161 855744206 /nfs/dbraw/zinc/74/42/06/855744206.db2.gz CBDOZQKJXOIGAL-GOSISDBHSA-N 1 0 391.393 3.883 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000301867515 855773170 /nfs/dbraw/zinc/77/31/70/855773170.db2.gz HSNOFVVPPNQSOD-UHFFFAOYSA-N 1 0 379.439 3.502 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)C1 ZINC000330284764 862723044 /nfs/dbraw/zinc/72/30/44/862723044.db2.gz XYZLYVZKLXFRHB-MDYRTPRTSA-N 1 0 383.467 3.988 20 30 GHEDRO CC(=O)c1ccc(C#N)cc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000302147463 855822074 /nfs/dbraw/zinc/82/20/74/855822074.db2.gz RWJXYVJGFBVABI-UHFFFAOYSA-N 1 0 388.515 3.905 20 30 GHEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1 ZINC000591278282 855880942 /nfs/dbraw/zinc/88/09/42/855880942.db2.gz CPIKMHNIOBITAZ-ADLFWFRXSA-N 1 0 398.894 3.575 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C(F)(F)F ZINC000591287878 855884757 /nfs/dbraw/zinc/88/47/57/855884757.db2.gz XPWVOTUMCUNABN-CABCVRRESA-N 1 0 380.414 3.821 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441670659 855918267 /nfs/dbraw/zinc/91/82/67/855918267.db2.gz WGUIPVUSMLUUSZ-CVEARBPZSA-N 1 0 387.549 3.576 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441672581 855922862 /nfs/dbraw/zinc/92/28/62/855922862.db2.gz FXIIAAKHEGJCDA-RBUKOAKNSA-N 1 0 398.551 3.779 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1OCCCC#N ZINC000064614019 856040025 /nfs/dbraw/zinc/04/00/25/856040025.db2.gz UVJVBFRKVMXBDO-UHFFFAOYSA-N 1 0 380.492 3.531 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1C(F)(F)F ZINC000303449279 856089407 /nfs/dbraw/zinc/08/94/07/856089407.db2.gz JZBWAYVZLZFVOE-UHFFFAOYSA-N 1 0 395.347 3.668 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000171322667 856091127 /nfs/dbraw/zinc/09/11/27/856091127.db2.gz KRXDGQIYJSUBOM-UHFFFAOYSA-N 1 0 376.504 3.884 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000303583251 856109218 /nfs/dbraw/zinc/10/92/18/856109218.db2.gz KVGUPMOMDUCJDP-GOSISDBHSA-N 1 0 389.377 3.694 20 30 GHEDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000140373478 856143334 /nfs/dbraw/zinc/14/33/34/856143334.db2.gz PLXBVZKRGBQKPD-AWEZNQCLSA-N 1 0 376.382 3.735 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCSc2ccc(Cl)cc2)cc1 ZINC000591723332 856212481 /nfs/dbraw/zinc/21/24/81/856212481.db2.gz SEGOUSYEJUWZNM-KRWDZBQOSA-N 1 0 376.909 3.528 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)[NH+]1CCCCC1 ZINC000573534112 856244191 /nfs/dbraw/zinc/24/41/91/856244191.db2.gz YKMOMKCXMJYPFP-CVDCTZTESA-N 1 0 381.520 3.812 20 30 GHEDRO Cc1nc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)ccc1C#N ZINC000171817315 856273481 /nfs/dbraw/zinc/27/34/81/856273481.db2.gz IASQUEDAWDINNE-UHFFFAOYSA-N 1 0 382.895 3.653 20 30 GHEDRO CCOC(=O)c1sc(NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)cc1C ZINC000109405849 856296298 /nfs/dbraw/zinc/29/62/98/856296298.db2.gz RYYOLXSSRGNRAK-UHFFFAOYSA-N 1 0 399.516 3.954 20 30 GHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3nsc4ccccc43)CC2)cc1 ZINC000905554567 856390866 /nfs/dbraw/zinc/39/08/66/856390866.db2.gz NJUVZCINUZSNIX-UHFFFAOYSA-N 1 0 376.485 3.516 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000198380605 856448380 /nfs/dbraw/zinc/44/83/80/856448380.db2.gz IOUJZXYWJPFJAD-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000520782328 856513963 /nfs/dbraw/zinc/51/39/63/856513963.db2.gz IGFZINXQPQOWBN-HOTGVXAUSA-N 1 0 381.442 3.619 20 30 GHEDRO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507859333 856584247 /nfs/dbraw/zinc/58/42/47/856584247.db2.gz LDTWXQHXVRGPJG-UHFFFAOYSA-N 1 0 391.471 3.633 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000485465674 856605577 /nfs/dbraw/zinc/60/55/77/856605577.db2.gz JANHNEIFQGMCNE-UHFFFAOYSA-N 1 0 388.577 3.929 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCSc2ncnc3sc(C)c(C)c32)CC1 ZINC000592068990 856652157 /nfs/dbraw/zinc/65/21/57/856652157.db2.gz AJHOHUNUOUCMGA-UHFFFAOYSA-N 1 0 390.578 3.557 20 30 GHEDRO CCCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCc2ncsc2C1 ZINC000592188936 856686526 /nfs/dbraw/zinc/68/65/26/856686526.db2.gz RRTBXBARQLEARK-OALUTQOASA-N 1 0 399.560 3.608 20 30 GHEDRO COc1cc(C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000126907165 856894533 /nfs/dbraw/zinc/89/45/33/856894533.db2.gz MURAFOQAUOUBSG-SFHVURJKSA-N 1 0 388.414 3.866 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000592524197 856919231 /nfs/dbraw/zinc/91/92/31/856919231.db2.gz XWMGWQXZKJDKIC-HSZRJFAPSA-N 1 0 375.516 3.994 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000508144807 856989461 /nfs/dbraw/zinc/98/94/61/856989461.db2.gz FBWKWGHUEDQOPS-LJQANCHMSA-N 1 0 398.551 3.623 20 30 GHEDRO CC(C)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H](O)c1ccc(F)cc1 ZINC000173800440 857154320 /nfs/dbraw/zinc/15/43/20/857154320.db2.gz WENUWXVZSSUGMP-FQEVSTJZSA-N 1 0 394.450 3.939 20 30 GHEDRO CC(C)C[C@@H]([NH3+])c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000592352797 857163345 /nfs/dbraw/zinc/16/33/45/857163345.db2.gz PHJSUFNSIOLKHG-CQSZACIVSA-N 1 0 396.451 3.619 20 30 GHEDRO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)o1 ZINC000592366734 857181600 /nfs/dbraw/zinc/18/16/00/857181600.db2.gz KFIZFVHJGDVQBB-UHFFFAOYSA-N 1 0 391.475 3.735 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000173993511 857194952 /nfs/dbraw/zinc/19/49/52/857194952.db2.gz KCIZBGCLRMILDH-FUHWJXTLSA-N 1 0 394.519 3.692 20 30 GHEDRO COc1ccc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)nc1 ZINC000593042063 857195567 /nfs/dbraw/zinc/19/55/67/857195567.db2.gz XJJOJRMTKSIMIJ-UHFFFAOYSA-N 1 0 398.894 3.823 20 30 GHEDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000174032030 857199917 /nfs/dbraw/zinc/19/99/17/857199917.db2.gz KVYCTDGCLAJEDF-CQSZACIVSA-N 1 0 386.293 3.791 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000174102579 857210039 /nfs/dbraw/zinc/21/00/39/857210039.db2.gz RHQUYTXPTIKZIE-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO CCN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000174660643 857357713 /nfs/dbraw/zinc/35/77/13/857357713.db2.gz ZTJPTQBVAWWEHN-FQEVSTJZSA-N 1 0 390.531 3.680 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C ZINC001168757790 857403994 /nfs/dbraw/zinc/40/39/94/857403994.db2.gz LBRHUDIXSJXMQN-ICSRJNTNSA-N 1 0 385.552 3.843 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000593070328 857462317 /nfs/dbraw/zinc/46/23/17/857462317.db2.gz WLKSOQVZCVNQRX-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1cccs1 ZINC000442044342 857471562 /nfs/dbraw/zinc/47/15/62/857471562.db2.gz KRZDPIFLZYHYDO-ZDUSSCGKSA-N 1 0 398.410 3.943 20 30 GHEDRO CC1(C)CC(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC(C)(C)[NH2+]1 ZINC000442044898 857471948 /nfs/dbraw/zinc/47/19/48/857471948.db2.gz BTIMJFMKFJTSHW-UHFFFAOYSA-N 1 0 384.402 3.888 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000520978815 857473138 /nfs/dbraw/zinc/47/31/38/857473138.db2.gz IXROYAIJWHPZKX-QFIPXVFZSA-N 1 0 375.516 3.959 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000574249976 857502327 /nfs/dbraw/zinc/50/23/27/857502327.db2.gz RYWIMMTWQKUAOR-UHFFFAOYSA-N 1 0 392.551 3.847 20 30 GHEDRO N#Cc1cc(NC(=O)NCCCCNc2ccccn2)ccc1OC(F)(F)F ZINC000442226178 857617176 /nfs/dbraw/zinc/61/71/76/857617176.db2.gz OQAXDWCRFCHPLX-UHFFFAOYSA-N 1 0 393.369 3.866 20 30 GHEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000593590624 857644968 /nfs/dbraw/zinc/64/49/68/857644968.db2.gz KBTSVEQOIVNSBY-LJQANCHMSA-N 1 0 389.565 3.563 20 30 GHEDRO C[NH+](C)C[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)c1ccc(Cl)cc1 ZINC000593699812 857662148 /nfs/dbraw/zinc/66/21/48/857662148.db2.gz CIIRKIJUQNYPCR-GOSISDBHSA-N 1 0 394.906 3.893 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000574295256 857686496 /nfs/dbraw/zinc/68/64/96/857686496.db2.gz KKZRMXHXTMFFMK-JOCHJYFZSA-N 1 0 375.451 3.929 20 30 GHEDRO CCO[C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000255337545 857718511 /nfs/dbraw/zinc/71/85/11/857718511.db2.gz VVIWRBFWXKOJSN-CABCVRRESA-N 1 0 375.538 3.717 20 30 GHEDRO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1F ZINC000521195725 857739500 /nfs/dbraw/zinc/73/95/00/857739500.db2.gz QPFFGTVXGRZZBP-UHFFFAOYSA-N 1 0 397.494 3.823 20 30 GHEDRO C=CCC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000181697117 862974689 /nfs/dbraw/zinc/97/46/89/862974689.db2.gz IZKYWPQQYSMMEM-XZOQPEGZSA-N 1 0 393.531 3.760 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000543067628 858172725 /nfs/dbraw/zinc/17/27/25/858172725.db2.gz VULFNEIKMGEXKZ-UHFFFAOYSA-N 1 0 388.552 3.918 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000594429270 858174312 /nfs/dbraw/zinc/17/43/12/858174312.db2.gz RUZXTBUXMRXMSN-INIZCTEOSA-N 1 0 378.314 3.746 20 30 GHEDRO COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594433675 858176434 /nfs/dbraw/zinc/17/64/34/858176434.db2.gz QNJHSPZOVVIYDZ-MAUKXSAKSA-N 1 0 377.916 3.541 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000594434242 858177548 /nfs/dbraw/zinc/17/75/48/858177548.db2.gz LTTUHMOOSQSXFK-HOTGVXAUSA-N 1 0 386.496 3.854 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)s2)cc1 ZINC000594442044 858178316 /nfs/dbraw/zinc/17/83/16/858178316.db2.gz AOJSOQNWEQEJRX-DYVFJYSZSA-N 1 0 386.521 3.716 20 30 GHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(OC)c1 ZINC000594517523 858207037 /nfs/dbraw/zinc/20/70/37/858207037.db2.gz XGNNOLSQIZSRFD-INIZCTEOSA-N 1 0 393.487 3.962 20 30 GHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000521658048 858211862 /nfs/dbraw/zinc/21/18/62/858211862.db2.gz PFFOAORZDBETAG-HNNXBMFYSA-N 1 0 392.341 3.655 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc(C#N)c3C)CC[N@@H+]2C2CC2)c1 ZINC000249097528 863003794 /nfs/dbraw/zinc/00/37/94/863003794.db2.gz VSPZBIAVGZQAQF-YADHBBJMSA-N 1 0 390.487 3.975 20 30 GHEDRO COC[C@H](C)Oc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000594936230 858339179 /nfs/dbraw/zinc/33/91/79/858339179.db2.gz WMOUDIKMRKQXFC-RYHLMMNBSA-N 1 0 395.503 3.847 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cccc(OC3CC3)c2F)c(-c2ccc(C#N)cc2)n1 ZINC000594942764 858341642 /nfs/dbraw/zinc/34/16/42/858341642.db2.gz LGYCRNTYLUVKMV-UHFFFAOYSA-N 1 0 376.435 3.929 20 30 GHEDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000595046927 858379039 /nfs/dbraw/zinc/37/90/39/858379039.db2.gz NQFDTZMLPPHZHL-MRXNPFEDSA-N 1 0 394.475 3.790 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3cnc(C#N)c(Cl)c3)CC2)CC1 ZINC000574900943 858390421 /nfs/dbraw/zinc/39/04/21/858390421.db2.gz JCXVTIWCNQMUII-UHFFFAOYSA-N 1 0 375.904 3.771 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OCC(F)(F)F)cc3)CC2)nc1 ZINC000067010973 858394928 /nfs/dbraw/zinc/39/49/28/858394928.db2.gz IVWWXYGXNSCRNT-UHFFFAOYSA-N 1 0 390.409 3.653 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000159801842 863018917 /nfs/dbraw/zinc/01/89/17/863018917.db2.gz QYSPCIUQQKSKDE-UHFFFAOYSA-N 1 0 382.895 3.985 20 30 GHEDRO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000574874012 858403214 /nfs/dbraw/zinc/40/32/14/858403214.db2.gz DGYSZWVYLJRNQL-QGZVFWFLSA-N 1 0 389.565 3.674 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](CC[C@@H]3Sc4ccccc4NC3=O)CC2)c1 ZINC000595301992 858466701 /nfs/dbraw/zinc/46/67/01/858466701.db2.gz HUVJFNKYEUDAEU-NRFANRHFSA-N 1 0 393.512 3.905 20 30 GHEDRO CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000595305431 858467577 /nfs/dbraw/zinc/46/75/77/858467577.db2.gz ZWYQFYGLBUAFOK-LJQANCHMSA-N 1 0 383.536 3.686 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCO2 ZINC000574970150 858477759 /nfs/dbraw/zinc/47/77/59/858477759.db2.gz UMYXPGPLRLZUST-LBPRGKRZSA-N 1 0 383.473 3.517 20 30 GHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000115440145 858530649 /nfs/dbraw/zinc/53/06/49/858530649.db2.gz YLYBPEPQKQTCQI-SFHVURJKSA-N 1 0 377.488 3.551 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888428305 858613767 /nfs/dbraw/zinc/61/37/67/858613767.db2.gz TVNPPYHMYUWILS-UHFFFAOYSA-N 1 0 381.933 3.931 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595619970 858618685 /nfs/dbraw/zinc/61/86/85/858618685.db2.gz IGDVKUBBMUAGHX-CVEARBPZSA-N 1 0 396.516 3.953 20 30 GHEDRO CN(C(=O)CN1CCC[C@H](CC#N)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000595617321 858619116 /nfs/dbraw/zinc/61/91/16/858619116.db2.gz YKHOJAKNBSLOEI-JPYJTQIMSA-N 1 0 379.479 3.999 20 30 GHEDRO COC[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000595615894 858632243 /nfs/dbraw/zinc/63/22/43/858632243.db2.gz NVQSJHCVSHWXFH-QHCPKHFHSA-N 1 0 378.516 3.918 20 30 GHEDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595671505 858644739 /nfs/dbraw/zinc/64/47/39/858644739.db2.gz SGSZUNLHKRSDCT-QAPCUYQASA-N 1 0 389.565 3.700 20 30 GHEDRO O=C1c2ccccc2C(Nc2ccc(N3CC[NH2+]CC3)nc2)=C1c1ccccc1 ZINC001168408093 858650569 /nfs/dbraw/zinc/65/05/69/858650569.db2.gz QRODLYKUZISCBL-UHFFFAOYSA-N 1 0 382.467 3.668 20 30 GHEDRO Cc1cccc(Cl)c1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595765313 858663210 /nfs/dbraw/zinc/66/32/10/858663210.db2.gz QVCGMNNFBRLHFW-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO Cc1cc(Cl)ccc1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764692 858663267 /nfs/dbraw/zinc/66/32/67/858663267.db2.gz LQGHDGUXFCCWPX-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1C ZINC000595775304 858682978 /nfs/dbraw/zinc/68/29/78/858682978.db2.gz UWWJKLJFBJAWKR-QFIPXVFZSA-N 1 0 394.515 3.519 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000595779527 858685405 /nfs/dbraw/zinc/68/54/05/858685405.db2.gz BSNUFNKHUKCCFY-OAQYLSRUSA-N 1 0 378.520 3.764 20 30 GHEDRO COC1(c2noc(CC3CC[NH+](Cc4ccc(C#N)c(F)c4)CC3)n2)CCCC1 ZINC000595918929 858734321 /nfs/dbraw/zinc/73/43/21/858734321.db2.gz ZLACJRGWVYHOAX-UHFFFAOYSA-N 1 0 398.482 3.951 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC[C@H]21 ZINC000248153251 858743532 /nfs/dbraw/zinc/74/35/32/858743532.db2.gz RAVMANCBDBWAKL-NFBKMPQASA-N 1 0 389.499 3.694 20 30 GHEDRO N#Cc1c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cn2ccccc12 ZINC000330189470 858750566 /nfs/dbraw/zinc/75/05/66/858750566.db2.gz VIMZLEBFTKJRRZ-WZONZLPQSA-N 1 0 387.487 3.700 20 30 GHEDRO N#Cc1cc2cccnc2nc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000596066618 858770533 /nfs/dbraw/zinc/77/05/33/858770533.db2.gz UGEZYMWACWLCQE-UHFFFAOYSA-N 1 0 377.879 3.867 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183710828 858803832 /nfs/dbraw/zinc/80/38/32/858803832.db2.gz ZEGGNNNYFKOFDU-AEFFLSMTSA-N 1 0 389.565 3.798 20 30 GHEDRO N#Cc1cc2cccnc2nc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000596167972 858811363 /nfs/dbraw/zinc/81/13/63/858811363.db2.gz KCVYHONMIDJOKB-RBBKRZOGSA-N 1 0 383.499 3.992 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596422118 858892576 /nfs/dbraw/zinc/89/25/76/858892576.db2.gz AKROEUGMCJVZTE-GOSISDBHSA-N 1 0 375.394 3.756 20 30 GHEDRO N#Cc1cnc2c(Cl)cccc2c1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596422874 858892857 /nfs/dbraw/zinc/89/28/57/858892857.db2.gz IPEUWKAILVYSLS-GOSISDBHSA-N 1 0 392.890 3.939 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000160454098 858916258 /nfs/dbraw/zinc/91/62/58/858916258.db2.gz UTQKIWJQQRQEEL-QFIPXVFZSA-N 1 0 385.552 3.980 20 30 GHEDRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120221536 881365050 /nfs/dbraw/zinc/36/50/50/881365050.db2.gz XTKLSMMIRFGNJJ-UHFFFAOYSA-N 1 0 386.418 3.803 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000068310169 858976356 /nfs/dbraw/zinc/97/63/56/858976356.db2.gz IZSLCAZUNSZDAO-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO N#Cc1ccc2c(c1)N(C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000550520897 858978634 /nfs/dbraw/zinc/97/86/34/858978634.db2.gz TZZZKWBDUNTQJI-NRFANRHFSA-N 1 0 399.416 3.902 20 30 GHEDRO CCN(C(=O)NCCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000596670205 858984105 /nfs/dbraw/zinc/98/41/05/858984105.db2.gz BLWJMDRZAFXTHO-AUSIDOKSSA-N 1 0 390.531 3.968 20 30 GHEDRO COC(=O)c1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)[nH]c1C(C)C ZINC000895278399 858999973 /nfs/dbraw/zinc/99/99/73/858999973.db2.gz SZKZMDUXAAJMHI-UHFFFAOYSA-N 1 0 381.476 3.592 20 30 GHEDRO CCc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1OC ZINC000593220402 859049672 /nfs/dbraw/zinc/04/96/72/859049672.db2.gz NEZHGEMJMUKAFS-UHFFFAOYSA-N 1 0 392.503 3.915 20 30 GHEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000543620759 859055520 /nfs/dbraw/zinc/05/55/20/859055520.db2.gz LGSPWSAATJBCEL-UHFFFAOYSA-N 1 0 378.295 3.809 20 30 GHEDRO N#Cc1csc(C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000923176414 859105224 /nfs/dbraw/zinc/10/52/24/859105224.db2.gz NXBWHRPBYLDBJA-IBGZPJMESA-N 1 0 395.528 3.563 20 30 GHEDRO N#CCSCCC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429350903 859118685 /nfs/dbraw/zinc/11/86/85/859118685.db2.gz DKAVBEXAYZNKTN-NQIIRXRSSA-N 1 0 386.492 3.813 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160711284 859129715 /nfs/dbraw/zinc/12/97/15/859129715.db2.gz AHSLRGNCAXSOCD-NRFANRHFSA-N 1 0 382.483 3.944 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000596908483 859162411 /nfs/dbraw/zinc/16/24/11/859162411.db2.gz OKGNNLFXAGUYGH-CQSZACIVSA-N 1 0 391.313 3.564 20 30 GHEDRO COC[C@H](C)Oc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000596982684 859211756 /nfs/dbraw/zinc/21/17/56/859211756.db2.gz FJXQZFMUQDMUTL-FQEVSTJZSA-N 1 0 393.531 3.680 20 30 GHEDRO CC1(c2cccc(Cl)c2)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000483257133 859251142 /nfs/dbraw/zinc/25/11/42/859251142.db2.gz VCPUFZXDVXOENJ-UHFFFAOYSA-N 1 0 381.907 3.882 20 30 GHEDRO N#Cc1ccccc1OCC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483258032 859252984 /nfs/dbraw/zinc/25/29/84/859252984.db2.gz XEUVXKTYMYZCNJ-MRXNPFEDSA-N 1 0 384.785 3.932 20 30 GHEDRO C=CC[N@H+](Cc1ccc(Br)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483271651 859260937 /nfs/dbraw/zinc/26/09/37/859260937.db2.gz NVIQAKVZGASFCS-CYBMUJFWSA-N 1 0 388.269 3.767 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000499721758 859293397 /nfs/dbraw/zinc/29/33/97/859293397.db2.gz KIWVAIIDNSDLJP-LJQANCHMSA-N 1 0 378.476 3.740 20 30 GHEDRO CCCCCCC[C@@H](C)CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000764246016 859309141 /nfs/dbraw/zinc/30/91/41/859309141.db2.gz HNYNPXVMHRYUNO-HXUWFJFHSA-N 1 0 380.621 3.652 20 30 GHEDRO CC(C)(C)OC(=O)CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CCOCC1 ZINC000597156490 859320822 /nfs/dbraw/zinc/32/08/22/859320822.db2.gz YVUJYVNCLGHLEB-UHFFFAOYSA-N 1 0 384.520 3.955 20 30 GHEDRO N#CC[C@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000597175103 859337833 /nfs/dbraw/zinc/33/78/33/859337833.db2.gz WMRBNQGNBFLCTC-QGZVFWFLSA-N 1 0 382.533 3.772 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000429445919 859385889 /nfs/dbraw/zinc/38/58/89/859385889.db2.gz GCBDKFCIZIHDRA-KBPBESRZSA-N 1 0 391.284 3.962 20 30 GHEDRO COC(=O)c1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)[nH]c1C(C)C ZINC000895405083 859405935 /nfs/dbraw/zinc/40/59/35/859405935.db2.gz JKVWQCZJXLZMFM-UHFFFAOYSA-N 1 0 381.476 3.592 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000429457317 859415908 /nfs/dbraw/zinc/41/59/08/859415908.db2.gz RXROLMYMJGLVGG-BBRMVZONSA-N 1 0 391.284 3.962 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000429457318 859416244 /nfs/dbraw/zinc/41/62/44/859416244.db2.gz RXROLMYMJGLVGG-CJNGLKHVSA-N 1 0 391.284 3.962 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000593330982 859432164 /nfs/dbraw/zinc/43/21/64/859432164.db2.gz PAXPQDVHPTZARJ-VXKWHMMOSA-N 1 0 392.478 3.517 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000764478523 859468591 /nfs/dbraw/zinc/46/85/91/859468591.db2.gz ZYOIQYJUHZCOHF-UHFFFAOYSA-N 1 0 376.254 3.693 20 30 GHEDRO CC[C@H](C)Oc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccn1 ZINC000593351186 859526582 /nfs/dbraw/zinc/52/65/82/859526582.db2.gz JZVVKQVJCVENNC-KRWDZBQOSA-N 1 0 392.503 3.525 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3coc4cc(F)ccc34)CC2)c1 ZINC000593351692 859530715 /nfs/dbraw/zinc/53/07/15/859530715.db2.gz QRTXXOUCMAVEPC-UHFFFAOYSA-N 1 0 377.419 3.838 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000052496769 859547668 /nfs/dbraw/zinc/54/76/68/859547668.db2.gz PVJPNAUPXLSFKH-UHFFFAOYSA-N 1 0 387.534 3.876 20 30 GHEDRO Cc1ccc(C)c(OCCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593353604 859547864 /nfs/dbraw/zinc/54/78/64/859547864.db2.gz TZJIEKUMYNMVEX-UHFFFAOYSA-N 1 0 391.515 3.725 20 30 GHEDRO Cc1ccc(OCCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC000593353798 859548945 /nfs/dbraw/zinc/54/89/45/859548945.db2.gz GCJIESFROHQDAB-UHFFFAOYSA-N 1 0 391.515 3.725 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597445029 859553855 /nfs/dbraw/zinc/55/38/55/859553855.db2.gz PUYGGPJVLHAPHX-QGZVFWFLSA-N 1 0 399.441 3.669 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597445028 859554147 /nfs/dbraw/zinc/55/41/47/859554147.db2.gz PUYGGPJVLHAPHX-KRWDZBQOSA-N 1 0 399.441 3.669 20 30 GHEDRO COc1cc(Cl)ccc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593356614 859574448 /nfs/dbraw/zinc/57/44/48/859574448.db2.gz YIWUFPIYYXTBOX-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO C=C(C)C[NH+]1CCC(NCc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000106245378 859587428 /nfs/dbraw/zinc/58/74/28/859587428.db2.gz SIWRBQOJSZIIBY-UHFFFAOYSA-N 1 0 381.520 3.799 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000069607056 859595391 /nfs/dbraw/zinc/59/53/91/859595391.db2.gz ZEOISDOYAIQZFX-ROUUACIJSA-N 1 0 392.503 3.798 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474233171 859656668 /nfs/dbraw/zinc/65/66/68/859656668.db2.gz QHABIQGVGQAANY-UHFFFAOYSA-N 1 0 397.906 3.957 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)c1 ZINC000611267075 859672935 /nfs/dbraw/zinc/67/29/35/859672935.db2.gz FYLDXCNGFZQEPF-LJQANCHMSA-N 1 0 375.472 3.775 20 30 GHEDRO Cc1cc(C)cc(C2=CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000611282183 859680900 /nfs/dbraw/zinc/68/09/00/859680900.db2.gz FWOLCKJPSYBRGC-HSZRJFAPSA-N 1 0 376.500 3.899 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967109 859681160 /nfs/dbraw/zinc/68/11/60/859681160.db2.gz FNBHKEVTULQZEF-VXGBXAGGSA-N 1 0 397.306 3.592 20 30 GHEDRO CC(C)CSCCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593383504 859694078 /nfs/dbraw/zinc/69/40/78/859694078.db2.gz GQHURMQKWFBUCR-UHFFFAOYSA-N 1 0 388.581 3.601 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1Cl ZINC000611350220 859713790 /nfs/dbraw/zinc/71/37/90/859713790.db2.gz FNXSCUFNGFUVFC-HZPDHXFCSA-N 1 0 375.900 3.679 20 30 GHEDRO COCC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000611351387 859714666 /nfs/dbraw/zinc/71/46/66/859714666.db2.gz YXFDGYSJNZSVCN-UHFFFAOYSA-N 1 0 389.565 3.966 20 30 GHEDRO C[NH+]1CCC2(CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)C2)CC1 ZINC000597666509 859715280 /nfs/dbraw/zinc/71/52/80/859715280.db2.gz KKGMXHIQBRLPBL-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[NH+](C3CCC3)CC2)c1=S ZINC000764988443 859717931 /nfs/dbraw/zinc/71/79/31/859717931.db2.gz NSVSGEMHHFQBGH-UHFFFAOYSA-N 1 0 383.565 3.703 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000895611244 859718101 /nfs/dbraw/zinc/71/81/01/859718101.db2.gz VFGWYWSKIHJOOU-LBPRGKRZSA-N 1 0 382.258 3.546 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000764992023 859720440 /nfs/dbraw/zinc/72/04/40/859720440.db2.gz UMLUQYPAXDVEAM-IBGZPJMESA-N 1 0 383.565 3.702 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000611348200 859722490 /nfs/dbraw/zinc/72/24/90/859722490.db2.gz RMTOMWYIIFLLCX-AVRDEDQJSA-N 1 0 375.520 3.501 20 30 GHEDRO C[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)c1cccc(C#N)c1 ZINC000611386264 859730569 /nfs/dbraw/zinc/73/05/69/859730569.db2.gz GYJCNQGQHBMKEI-CYBMUJFWSA-N 1 0 377.517 3.917 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611387421 859732148 /nfs/dbraw/zinc/73/21/48/859732148.db2.gz NSAUJJIOEYXWIS-KGLIPLIRSA-N 1 0 386.293 3.849 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CCC(C[NH+](C)C)CC2)c1=S ZINC000765007263 859733647 /nfs/dbraw/zinc/73/36/47/859733647.db2.gz XGSSWEVWUGLZOX-UHFFFAOYSA-N 1 0 377.583 3.560 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000611396591 859736868 /nfs/dbraw/zinc/73/68/68/859736868.db2.gz AOZZUJQRQNOFTR-HNNXBMFYSA-N 1 0 397.422 3.944 20 30 GHEDRO C[N@H+](CCCNC(=O)Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000593401223 859740110 /nfs/dbraw/zinc/74/01/10/859740110.db2.gz XTMQOBLPVDIXPL-UHFFFAOYSA-N 1 0 392.341 3.634 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000765015998 859744841 /nfs/dbraw/zinc/74/48/41/859744841.db2.gz UTZGNKVMVSFKLK-KRWDZBQOSA-N 1 0 383.517 3.584 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)C1CCCCC1 ZINC000543463844 859785438 /nfs/dbraw/zinc/78/54/38/859785438.db2.gz VFNWMOJEUSRMGZ-IAGOWNOFSA-N 1 0 379.508 3.877 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000611503179 859787268 /nfs/dbraw/zinc/78/72/68/859787268.db2.gz PRNKULKRVFRKKR-XLIONFOSSA-N 1 0 386.540 3.513 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)CC1 ZINC000765120917 859790864 /nfs/dbraw/zinc/79/08/64/859790864.db2.gz QELQDEDAAOGTTE-LJQANCHMSA-N 1 0 376.500 3.788 20 30 GHEDRO CC[C@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(F)(F)F ZINC000593414721 859791314 /nfs/dbraw/zinc/79/13/14/859791314.db2.gz RDIIQPHCGHYMOK-HNNXBMFYSA-N 1 0 396.457 3.800 20 30 GHEDRO N#CC1(CC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CCOCC1 ZINC000597808631 859839219 /nfs/dbraw/zinc/83/92/19/859839219.db2.gz VDPRMPLJTJKJGA-UHFFFAOYSA-N 1 0 387.549 3.914 20 30 GHEDRO CC(C)(CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C[NH+]1CCCC1 ZINC000484157145 859851828 /nfs/dbraw/zinc/85/18/28/859851828.db2.gz IDLZBVLSDZYWSV-UHFFFAOYSA-N 1 0 376.504 3.725 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000602257870 859882834 /nfs/dbraw/zinc/88/28/34/859882834.db2.gz DIQPWIFITMWQKB-OAHLLOKOSA-N 1 0 384.505 3.526 20 30 GHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000765283201 859888636 /nfs/dbraw/zinc/88/86/36/859888636.db2.gz XVIYDMAVLWHBQR-MSOLQXFVSA-N 1 0 383.515 3.633 20 30 GHEDRO COC(=O)CCC[NH+]1CCC(N=Nc2cc(C)c3ccc(C)c(C)c3n2)CC1 ZINC000727061083 859912331 /nfs/dbraw/zinc/91/23/31/859912331.db2.gz BUYDMVLKFLMPCE-UHFFFAOYSA-N 1 0 382.508 3.977 20 30 GHEDRO N#Cc1sccc1N1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000597945176 859948893 /nfs/dbraw/zinc/94/88/93/859948893.db2.gz YFVAKTFMFMWGJN-UHFFFAOYSA-N 1 0 394.544 3.568 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1 ZINC001168541109 859981845 /nfs/dbraw/zinc/98/18/45/859981845.db2.gz GCXGIVWGPVMZBH-ONTRVFCTSA-N 1 0 395.890 3.956 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484467292 860010190 /nfs/dbraw/zinc/01/01/90/860010190.db2.gz PAFHGVNIAFDCMV-SWLSCSKDSA-N 1 0 382.386 3.547 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c(-c2ccccc2)n1 ZINC000922465614 860032854 /nfs/dbraw/zinc/03/28/54/860032854.db2.gz ZEQIOQWSOPLLHA-IRXDYDNUSA-N 1 0 378.398 3.663 20 30 GHEDRO CN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510288 860049391 /nfs/dbraw/zinc/04/93/91/860049391.db2.gz LZTPVUNJEBGNMA-UHFFFAOYSA-N 1 0 380.467 3.503 20 30 GHEDRO Cc1cc(C)cc(CN(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593513396 860066893 /nfs/dbraw/zinc/06/68/93/860066893.db2.gz JBOVNTQLUJDEIN-UHFFFAOYSA-N 1 0 390.531 3.981 20 30 GHEDRO CN(CCc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593510973 860068632 /nfs/dbraw/zinc/06/86/32/860068632.db2.gz QRFUFVOAXMUADV-UHFFFAOYSA-N 1 0 394.494 3.546 20 30 GHEDRO CC(C)N(Cc1ccco1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511129 860070153 /nfs/dbraw/zinc/07/01/53/860070153.db2.gz HRALWCUJMRCUBT-UHFFFAOYSA-N 1 0 380.492 3.736 20 30 GHEDRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccnc(C#N)c1 ZINC000598148818 860099134 /nfs/dbraw/zinc/09/91/34/860099134.db2.gz QFIVSHIDPAZJBW-UHFFFAOYSA-N 1 0 384.911 3.981 20 30 GHEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508937226 860133296 /nfs/dbraw/zinc/13/32/96/860133296.db2.gz WJUAVABRPCMDHI-UHFFFAOYSA-N 1 0 383.565 3.739 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CCC[NH+]1CCCC1 ZINC000499927075 860179007 /nfs/dbraw/zinc/17/90/07/860179007.db2.gz IFVZATBJRJFBHX-MRXNPFEDSA-N 1 0 388.581 3.633 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001168544388 860192626 /nfs/dbraw/zinc/19/26/26/860192626.db2.gz OJJXPSBWUYFALC-HNYLTBJMSA-N 1 0 384.549 3.855 20 30 GHEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508947957 860208760 /nfs/dbraw/zinc/20/87/60/860208760.db2.gz YTKSLOPESAKDCP-UHFFFAOYSA-N 1 0 387.531 3.883 20 30 GHEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000484658838 860234317 /nfs/dbraw/zinc/23/43/17/860234317.db2.gz XLBZWEKXUBNSJB-AJSBUHFISA-N 1 0 380.488 3.586 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC3(CCSCC3)CC2)c(-c2ccncc2)n1 ZINC000602737771 860244970 /nfs/dbraw/zinc/24/49/70/860244970.db2.gz XCPQPWNYCFJAGI-UHFFFAOYSA-N 1 0 381.549 3.968 20 30 GHEDRO COc1ccc(CN(C(=O)CN[C@H](C)CC#N)[C@@H](C)Cc2cccs2)cc1 ZINC000602860933 860318297 /nfs/dbraw/zinc/31/82/97/860318297.db2.gz DXWMNEPWJBVMGH-SJORKVTESA-N 1 0 385.533 3.608 20 30 GHEDRO COc1ccnc(O[C@@H]2CCC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)n1 ZINC001170398649 881532922 /nfs/dbraw/zinc/53/29/22/881532922.db2.gz RRVHHAIJLIWOCL-LRZVDXDASA-N 1 0 392.503 3.733 20 30 GHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[C@H]2C1 ZINC000329457369 860366157 /nfs/dbraw/zinc/36/61/57/860366157.db2.gz QPDQSUGIUULNDP-YWZLYKJASA-N 1 0 379.435 3.656 20 30 GHEDRO COc1cc(O[C@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)ccn1 ZINC001170397866 881531381 /nfs/dbraw/zinc/53/13/81/881531381.db2.gz HQTLHQBVZAWXKT-SWCONJRYSA-N 1 0 377.488 3.947 20 30 GHEDRO Cn1cc(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccc(F)cc21 ZINC000552283752 860411600 /nfs/dbraw/zinc/41/16/00/860411600.db2.gz JIXVMHVJUCAAQD-UHFFFAOYSA-N 1 0 376.479 3.990 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000598596414 860439187 /nfs/dbraw/zinc/43/91/87/860439187.db2.gz PVEFHIAADJBWOF-NVXWUHKLSA-N 1 0 388.899 3.870 20 30 GHEDRO Cc1cc(C[N@H+](CC(C)C)C[C@H](O)CC(C)(C)C#N)nc(N2CCCCC2)n1 ZINC000598598908 860439881 /nfs/dbraw/zinc/43/98/81/860439881.db2.gz GLHLBDITNVFGTR-HXUWFJFHSA-N 1 0 387.572 3.534 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000598609315 860442007 /nfs/dbraw/zinc/44/20/07/860442007.db2.gz GODFAQNVQUYHFL-SNRMKQJTSA-N 1 0 381.923 3.893 20 30 GHEDRO CC(C)[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCOCC1 ZINC000060972509 860450382 /nfs/dbraw/zinc/45/03/82/860450382.db2.gz GKXPQHVZSLIBFU-DEOSSOPVSA-N 1 0 393.531 3.584 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000598622297 860450527 /nfs/dbraw/zinc/45/05/27/860450527.db2.gz ZSLORKDWXOVQPO-XPWALMASSA-N 1 0 377.532 3.545 20 30 GHEDRO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CC[C@@H](C)C1 ZINC000484895918 860454254 /nfs/dbraw/zinc/45/42/54/860454254.db2.gz QQVBUOJFDKNCOI-SJLPKXTDSA-N 1 0 377.916 3.724 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000467712671 860459929 /nfs/dbraw/zinc/45/99/29/860459929.db2.gz DSUFVCLICFWOSM-VBKZILBWSA-N 1 0 379.435 3.702 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1OCCCC#N ZINC000922694111 860468192 /nfs/dbraw/zinc/46/81/92/860468192.db2.gz JKPZAJZPMMMWHU-QAPCUYQASA-N 1 0 386.414 3.967 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000465609674 860474735 /nfs/dbraw/zinc/47/47/35/860474735.db2.gz VVBKTOGYRMXCPC-YADHBBJMSA-N 1 0 382.552 3.980 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000555337918 860476945 /nfs/dbraw/zinc/47/69/45/860476945.db2.gz XJGOSWIUYVKINA-IAGOWNOFSA-N 1 0 376.504 3.670 20 30 GHEDRO CO[C@]1(C)C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1(C)C ZINC001170384231 881561213 /nfs/dbraw/zinc/56/12/13/881561213.db2.gz BCLQCTCNVSHREJ-IBNJYYFUSA-N 1 0 389.565 3.866 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(CC#N)cc1)c1cccc(OC)c1 ZINC000125304200 860635837 /nfs/dbraw/zinc/63/58/37/860635837.db2.gz XJQOOLKWOMUWLT-OAQYLSRUSA-N 1 0 380.492 3.966 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000603364384 860673742 /nfs/dbraw/zinc/67/37/42/860673742.db2.gz LILANJLOUYKGNH-UHFFFAOYSA-N 1 0 389.425 3.961 20 30 GHEDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000922873108 860690961 /nfs/dbraw/zinc/69/09/61/860690961.db2.gz QWCPYIQNYVAWHK-MJGOQNOKSA-N 1 0 390.491 3.835 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3c[nH]nc3-c3cccs3)CC2)c1 ZINC000593692402 860854204 /nfs/dbraw/zinc/85/42/04/860854204.db2.gz FBRYTYVZAJGFIH-UHFFFAOYSA-N 1 0 377.517 3.764 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cnc([C@@H]4CCCO4)s3)CC2)c1 ZINC000593693123 860867521 /nfs/dbraw/zinc/86/75/21/860867521.db2.gz PTZUTDREFAMRDN-FQEVSTJZSA-N 1 0 382.533 3.620 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)CC2)cc1 ZINC000593691837 860882910 /nfs/dbraw/zinc/88/29/10/860882910.db2.gz ORHGFCFQMPRYJN-UHFFFAOYSA-N 1 0 399.542 3.653 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000126005364 860889739 /nfs/dbraw/zinc/88/97/39/860889739.db2.gz SAJOGRCNTREVLH-BBRMVZONSA-N 1 0 380.366 3.547 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ccnc3ccccc23)CC1 ZINC000730148088 860897871 /nfs/dbraw/zinc/89/78/71/860897871.db2.gz NWTPXARYLBWRNI-UHFFFAOYSA-N 1 0 379.895 3.508 20 30 GHEDRO COc1ccccc1[C@@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccn1 ZINC000329037789 860966696 /nfs/dbraw/zinc/96/66/96/860966696.db2.gz CSIIZVAEZXKOMP-OAQYLSRUSA-N 1 0 394.519 3.654 20 30 GHEDRO C=CC[C@H](C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)c1ccccc1 ZINC000856629758 881600921 /nfs/dbraw/zinc/60/09/21/881600921.db2.gz QTCMSTKATDFQBG-GOTSBHOMSA-N 1 0 393.531 3.873 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CCOCC1 ZINC000599255948 860987231 /nfs/dbraw/zinc/98/72/31/860987231.db2.gz GFSACCWVQVOVSY-GGAORHGYSA-N 1 0 376.500 3.705 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC1 ZINC000329064141 860987899 /nfs/dbraw/zinc/98/78/99/860987899.db2.gz VQPNHDNZJTWMCX-PXNSSMCTSA-N 1 0 377.504 3.527 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)CCOCC1 ZINC000599291891 861009778 /nfs/dbraw/zinc/00/97/78/861009778.db2.gz VHRZYHXUTWZEDP-GOSISDBHSA-N 1 0 385.483 3.558 20 30 GHEDRO N#Cc1ccc(C(=O)C(C(=S)NCCc2cccs2)[n+]2ccccc2)cc1 ZINC000185584187 861029883 /nfs/dbraw/zinc/02/98/83/861029883.db2.gz SMOXYGGPSDMRLC-UHFFFAOYSA-O 1 0 392.529 3.678 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CCC3)n2)CC1 ZINC000329111091 861029701 /nfs/dbraw/zinc/02/97/01/861029701.db2.gz GOPUIDJMYWZUTF-UHFFFAOYSA-N 1 0 387.915 3.630 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000329116923 861034476 /nfs/dbraw/zinc/03/44/76/861034476.db2.gz NRFMYVBCZQMUIA-HNNXBMFYSA-N 1 0 395.931 3.625 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CCOCC1 ZINC000599299358 861040462 /nfs/dbraw/zinc/04/04/62/861040462.db2.gz DTOWETGNKAUUGQ-PKTZIBPZSA-N 1 0 376.500 3.857 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)C1 ZINC000329128057 861043618 /nfs/dbraw/zinc/04/36/18/861043618.db2.gz VEBWUGYNVAKFDG-IEBWSBKVSA-N 1 0 387.524 3.629 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)CCOCC1 ZINC000599316364 861056915 /nfs/dbraw/zinc/05/69/15/861056915.db2.gz GQLMAWOTQNMVFX-LJQANCHMSA-N 1 0 378.463 3.781 20 30 GHEDRO O=C(NCc1nc2cc(Br)ccc2o1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000329152747 861074792 /nfs/dbraw/zinc/07/47/92/861074792.db2.gz BLACNBCRVAASQY-MRXNPFEDSA-N 1 0 378.270 3.921 20 30 GHEDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCCC#N ZINC000599340973 861075714 /nfs/dbraw/zinc/07/57/14/861075714.db2.gz HLPJHEISHIOMQL-LADGPHEKSA-N 1 0 375.516 3.886 20 30 GHEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1Cl ZINC000179219792 861087083 /nfs/dbraw/zinc/08/70/83/861087083.db2.gz TYBVVJKQQFMJTE-OAQYLSRUSA-N 1 0 397.906 3.539 20 30 GHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1Br ZINC000599354819 861095945 /nfs/dbraw/zinc/09/59/45/861095945.db2.gz RKGHCTAWFNIMEP-OAHLLOKOSA-N 1 0 389.293 3.585 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599356224 861100529 /nfs/dbraw/zinc/10/05/29/861100529.db2.gz BZWQMYPTTQVCKP-FDDCHVKYSA-N 1 0 389.499 3.947 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730432591 861115735 /nfs/dbraw/zinc/11/57/35/861115735.db2.gz MHUJQPDWIWEABI-YJBOKZPZSA-N 1 0 386.430 3.852 20 30 GHEDRO Cc1nc(C)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)s1 ZINC000329214916 861152845 /nfs/dbraw/zinc/15/28/45/861152845.db2.gz LWUAMWGYRSLHMM-MSOLQXFVSA-N 1 0 393.601 3.574 20 30 GHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599416337 861160497 /nfs/dbraw/zinc/16/04/97/861160497.db2.gz IGOADDBMEJRGKS-DOTOQJQBSA-N 1 0 384.442 3.640 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001141902926 861189049 /nfs/dbraw/zinc/18/90/49/861189049.db2.gz JXNNCIWPFGCSCK-BGYRXZFFSA-N 1 0 396.332 3.885 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1F ZINC000182001585 863082394 /nfs/dbraw/zinc/08/23/94/863082394.db2.gz NLBXOWTUDUROAF-FMPZLKCCSA-N 1 0 375.488 3.804 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182005412 863083477 /nfs/dbraw/zinc/08/34/77/863083477.db2.gz PTDDHULJMLOMTM-MRXNPFEDSA-N 1 0 393.516 3.835 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000668044958 863099466 /nfs/dbraw/zinc/09/94/66/863099466.db2.gz CZHOTRBAVHPBTO-UHFFFAOYSA-N 1 0 388.256 3.889 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)ccc1OC ZINC000482453731 863157762 /nfs/dbraw/zinc/15/77/62/863157762.db2.gz CXVHVXMTBKOQLO-QFIPXVFZSA-N 1 0 375.509 3.810 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)C(N)=O)cc1 ZINC000155179393 881637042 /nfs/dbraw/zinc/63/70/42/881637042.db2.gz AOBIJBAAJPGKHM-QFIPXVFZSA-N 1 0 389.430 3.848 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000482509533 863238826 /nfs/dbraw/zinc/23/88/26/863238826.db2.gz NCHMIILVFCHJEW-UHFFFAOYSA-N 1 0 379.508 3.677 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000439696106 863497954 /nfs/dbraw/zinc/49/79/54/863497954.db2.gz MJDUDAFGNUDQMK-FQEVSTJZSA-N 1 0 392.503 3.986 20 30 GHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047871255 863507701 /nfs/dbraw/zinc/50/77/01/863507701.db2.gz VYMPJNFAQQGMHJ-LJQANCHMSA-N 1 0 398.532 3.521 20 30 GHEDRO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000444176173 863610272 /nfs/dbraw/zinc/61/02/72/863610272.db2.gz NWLKVFILXWHUJW-KRWDZBQOSA-N 1 0 396.922 3.919 20 30 GHEDRO COc1cc(C[NH2+]CCCC#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000542482466 881688508 /nfs/dbraw/zinc/68/85/08/881688508.db2.gz ITWDDCIMGBBSEF-UHFFFAOYSA-N 1 0 387.867 3.759 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNc3cc(C#N)c4ccccc4n3)CC2)cc1 ZINC000522935384 863746718 /nfs/dbraw/zinc/74/67/18/863746718.db2.gz POJIJHPNTYESLG-UHFFFAOYSA-N 1 0 386.499 3.861 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000594024541 863763943 /nfs/dbraw/zinc/76/39/43/863763943.db2.gz NYRQTBGCBVIKAC-NLFFAJNJSA-N 1 0 387.527 3.861 20 30 GHEDRO Oc1ccc(/C=N/[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(O)c1O ZINC000733903914 863847799 /nfs/dbraw/zinc/84/77/99/863847799.db2.gz SLRDAKACHVZDNI-RRDOOKONSA-N 1 0 380.366 3.516 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC(C)(C)CCC#N)CC2 ZINC000896969480 864199085 /nfs/dbraw/zinc/19/90/85/864199085.db2.gz LFAWCJKZAYEKMD-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO Oc1ccccc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897053552 864367530 /nfs/dbraw/zinc/36/75/30/864367530.db2.gz BWPNAWOYNYNWJK-UWVGGRQHSA-N 1 0 375.259 3.995 20 30 GHEDRO COc1ccc2oc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)c(C)c2c1 ZINC000184330446 864370045 /nfs/dbraw/zinc/37/00/45/864370045.db2.gz YJNBBJJIEMTWGH-OAHLLOKOSA-N 1 0 398.484 3.746 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccncc1 ZINC000734654483 864370755 /nfs/dbraw/zinc/37/07/55/864370755.db2.gz WJTFCYSRRCGZPC-LEWJYISDSA-N 1 0 394.519 3.844 20 30 GHEDRO C=CC[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000734657983 864374274 /nfs/dbraw/zinc/37/42/74/864374274.db2.gz CRLQXFYBNPYESH-JOCHJYFZSA-N 1 0 378.520 3.705 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000554500837 864451492 /nfs/dbraw/zinc/45/14/92/864451492.db2.gz OBEROTUSZHKIKN-WJPUGNRLSA-N 1 0 388.895 3.512 20 30 GHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508472897 864489556 /nfs/dbraw/zinc/48/95/56/864489556.db2.gz LYJGAERPROAYRP-UHFFFAOYSA-N 1 0 393.579 3.952 20 30 GHEDRO N#Cc1ccc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC000480354907 864539217 /nfs/dbraw/zinc/53/92/17/864539217.db2.gz KUZFIOUGPTZOPH-UHFFFAOYSA-N 1 0 384.483 3.776 20 30 GHEDRO CC[C@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000480386213 864595430 /nfs/dbraw/zinc/59/54/30/864595430.db2.gz LIODTJKLDHMTFB-HTAPYJJXSA-N 1 0 393.535 3.640 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc2c(cc1F)NC(=O)CC2)C(C)C ZINC000120841598 881783392 /nfs/dbraw/zinc/78/33/92/881783392.db2.gz DBAVCGKUQLSGSX-LJQANCHMSA-N 1 0 388.487 3.531 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186279852 864611029 /nfs/dbraw/zinc/61/10/29/864611029.db2.gz VNKSBPYTXPAUQM-UHFFFAOYSA-N 1 0 391.924 3.530 20 30 GHEDRO Cc1ccc(CCCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000586052015 864624060 /nfs/dbraw/zinc/62/40/60/864624060.db2.gz YOKZANOBEMNVOE-UHFFFAOYSA-N 1 0 375.516 3.970 20 30 GHEDRO N#C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@H]1c1ccccc1 ZINC000557082008 881788485 /nfs/dbraw/zinc/78/84/85/881788485.db2.gz FEOJAUKKVCQCOF-YADHBBJMSA-N 1 0 391.540 3.615 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494491033 881790004 /nfs/dbraw/zinc/79/00/04/881790004.db2.gz DQAHYIOKUXEEFV-SJBKTWHCSA-N 1 0 387.907 3.928 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000475286955 864718295 /nfs/dbraw/zinc/71/82/95/864718295.db2.gz SUHLHMTUQUEPFI-FQEVSTJZSA-N 1 0 397.563 3.667 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000186323611 864790967 /nfs/dbraw/zinc/79/09/67/864790967.db2.gz VOQQEIAPNAPOLB-YADARESESA-N 1 0 376.548 3.804 20 30 GHEDRO N#Cc1cccnc1N1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000609770936 864807866 /nfs/dbraw/zinc/80/78/66/864807866.db2.gz OOXXEAKSQXKLGS-RJRFIUFISA-N 1 0 397.320 3.941 20 30 GHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000532334055 881815509 /nfs/dbraw/zinc/81/55/09/881815509.db2.gz KPSNVQPNEDYCKV-HNAYVOBHSA-N 1 0 377.513 3.922 20 30 GHEDRO C#CCCCCc1nc(-c2cc3c([nH]c2=O)CC[N@@H+](Cc2ccccc2)C3)no1 ZINC000897256129 864982311 /nfs/dbraw/zinc/98/23/11/864982311.db2.gz AHBFFGFGUMYMGM-UHFFFAOYSA-N 1 0 388.471 3.742 20 30 GHEDRO COc1ccc([C@@H]2[C@@H](COC(=O)COc3cccc(C#N)c3)CCC[N@@H+]2C)cc1 ZINC000735899333 865039979 /nfs/dbraw/zinc/03/99/79/865039979.db2.gz UNISFAWXYVVNDD-AUSIDOKSSA-N 1 0 394.471 3.572 20 30 GHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480704456 865119463 /nfs/dbraw/zinc/11/94/63/865119463.db2.gz QGBURPHZVGNFOC-RHSMWYFYSA-N 1 0 392.341 3.838 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CSc2cc(C)c(Br)cc2C)CC1 ZINC000171725206 865344351 /nfs/dbraw/zinc/34/43/51/865344351.db2.gz IDCNMRCONDOELE-UHFFFAOYSA-N 1 0 397.382 3.925 20 30 GHEDRO Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c1C ZINC000174129043 865477595 /nfs/dbraw/zinc/47/75/95/865477595.db2.gz BYLRAFWGRSIOQS-UHFFFAOYSA-N 1 0 380.492 3.569 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594232441 865493242 /nfs/dbraw/zinc/49/32/42/865493242.db2.gz UTFXHDPHKFSEHM-ROUUACIJSA-N 1 0 388.515 3.740 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H]([NH+](C)C)C2)c1=S ZINC000738145236 865501855 /nfs/dbraw/zinc/50/18/55/865501855.db2.gz SHKCRXWDBZZNFI-QGZVFWFLSA-N 1 0 391.972 3.904 20 30 GHEDRO C[NH+](C)CCc1ccc(CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594244307 865573553 /nfs/dbraw/zinc/57/35/53/865573553.db2.gz FUZBLCCLCNWZEA-UHFFFAOYSA-N 1 0 376.504 3.541 20 30 GHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccco1 ZINC000594248180 865600514 /nfs/dbraw/zinc/60/05/14/865600514.db2.gz OQYKCRHMYLTGEQ-APWZRJJASA-N 1 0 380.492 3.959 20 30 GHEDRO C[C@@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000594250358 865605741 /nfs/dbraw/zinc/60/57/41/865605741.db2.gz ONEUEGAHIIFXOK-MJGOQNOKSA-N 1 0 380.536 3.890 20 30 GHEDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1C#N ZINC000174373491 865742191 /nfs/dbraw/zinc/74/21/91/865742191.db2.gz FWUOLMLDPFQJCC-JOCHJYFZSA-N 1 0 385.467 3.906 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000555285459 865821612 /nfs/dbraw/zinc/82/16/12/865821612.db2.gz HRGKWXZCWGJIMS-UHFFFAOYSA-N 1 0 382.556 3.865 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000174468823 865828490 /nfs/dbraw/zinc/82/84/90/865828490.db2.gz LNDAPXSPNUPYIN-HNAYVOBHSA-N 1 0 383.879 3.916 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](C(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000555290851 865854827 /nfs/dbraw/zinc/85/48/27/865854827.db2.gz GSBGAFOUTMSQQU-UHFFFAOYSA-N 1 0 391.466 3.513 20 30 GHEDRO C[C@@H]1CN([C@H](C[NH2+]Cc2cccc(C#N)c2)c2c(F)cccc2Cl)CCO1 ZINC000609006070 865886323 /nfs/dbraw/zinc/88/63/23/865886323.db2.gz XMBUWQKHXKUSHW-FOIQADDNSA-N 1 0 387.886 3.902 20 30 GHEDRO C[C@@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C[NH+]1CCCC1 ZINC000740470100 865937459 /nfs/dbraw/zinc/93/74/59/865937459.db2.gz SUDNFEXNAXYKRG-INIZCTEOSA-N 1 0 382.533 3.818 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)CC1 ZINC000740736545 865974029 /nfs/dbraw/zinc/97/40/29/865974029.db2.gz YTSRZRWLQVBQNT-UHFFFAOYSA-N 1 0 380.463 3.719 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456000219 866007630 /nfs/dbraw/zinc/00/76/30/866007630.db2.gz QUQNVKILNPVVSK-GOSISDBHSA-N 1 0 390.531 3.864 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CC1 ZINC000667834927 866023568 /nfs/dbraw/zinc/02/35/68/866023568.db2.gz CSTNPTRXRNRPSM-UHFFFAOYSA-N 1 0 392.475 3.784 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508827171 866395983 /nfs/dbraw/zinc/39/59/83/866395983.db2.gz QHPWWUWMBCHDBL-XLIONFOSSA-N 1 0 393.535 3.593 20 30 GHEDRO CC1CCC2(CC1)OC[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)O2 ZINC000305851631 866656832 /nfs/dbraw/zinc/65/68/32/866656832.db2.gz UVARUGDMLPGPRT-VXKCQOAXSA-N 1 0 387.402 3.634 20 30 GHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3ccc(C#N)cc3F)CC2)c1C ZINC000129765482 866717085 /nfs/dbraw/zinc/71/70/85/866717085.db2.gz ZTNNYDIJNWCEAM-UHFFFAOYSA-N 1 0 396.510 3.814 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115566144 866783160 /nfs/dbraw/zinc/78/31/60/866783160.db2.gz DYAJBGVZRAUNEY-KBWCOIMZSA-N 1 0 382.552 3.518 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000741974615 866962821 /nfs/dbraw/zinc/96/28/21/866962821.db2.gz WSYDDGCUGXWHFY-UHFFFAOYSA-N 1 0 384.426 3.719 20 30 GHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000444670196 867041982 /nfs/dbraw/zinc/04/19/82/867041982.db2.gz AJIUGIIGPRNDMZ-IBGZPJMESA-N 1 0 389.565 3.563 20 30 GHEDRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000553266183 867069094 /nfs/dbraw/zinc/06/90/94/867069094.db2.gz SDPJPMYIUOAWON-UHFFFAOYSA-N 1 0 382.552 3.623 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@H](C[NH+]3CCCCC3)C2)nc1-c1ccco1 ZINC000742169536 867095908 /nfs/dbraw/zinc/09/59/08/867095908.db2.gz SKGHETMSPKWNQI-QGZVFWFLSA-N 1 0 387.553 3.625 20 30 GHEDRO N#CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000534685429 867247990 /nfs/dbraw/zinc/24/79/90/867247990.db2.gz PVGDYYNJHBKVAS-IBGZPJMESA-N 1 0 387.405 3.776 20 30 GHEDRO C=C[C@H](CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000534674692 867264620 /nfs/dbraw/zinc/26/46/20/867264620.db2.gz AHBGFZUMIVNXFN-LEWJYISDSA-N 1 0 377.532 3.673 20 30 GHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523456055 867366221 /nfs/dbraw/zinc/36/62/21/867366221.db2.gz NQNSRPQETBLHKM-UHFFFAOYSA-N 1 0 388.515 3.964 20 30 GHEDRO C=CC[C@@H]1N(C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CCCC1(C)C ZINC000444970284 867540269 /nfs/dbraw/zinc/54/02/69/867540269.db2.gz YPOVAOKQTWFKDG-AQNXPRMDSA-N 1 0 379.589 3.900 20 30 GHEDRO CN(C(=O)[C@@H](C#N)CCc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072285 867654571 /nfs/dbraw/zinc/65/45/71/867654571.db2.gz ROTRAWCFABQKFV-QGZVFWFLSA-N 1 0 381.442 3.634 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000457138334 867751864 /nfs/dbraw/zinc/75/18/64/867751864.db2.gz XOIKQCTZYUUXPE-NRFANRHFSA-N 1 0 377.488 3.692 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000743203623 867924414 /nfs/dbraw/zinc/92/44/14/867924414.db2.gz PRFADWQTUUXNRP-UHFFFAOYSA-N 1 0 383.467 3.953 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000743196707 867944533 /nfs/dbraw/zinc/94/45/33/867944533.db2.gz WYUDSPWXFAMBNO-LJQANCHMSA-N 1 0 395.478 3.871 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000743198806 867947262 /nfs/dbraw/zinc/94/72/62/867947262.db2.gz IPELSBGGJMIZIA-IBGZPJMESA-N 1 0 381.451 3.624 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000743401849 868163875 /nfs/dbraw/zinc/16/38/75/868163875.db2.gz CPOOIRMXRBBOMX-QFIPXVFZSA-N 1 0 385.515 3.833 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c(OC)c1 ZINC000620934197 868246705 /nfs/dbraw/zinc/24/67/05/868246705.db2.gz MJWVEOOCJMYNGL-NHCUHLMSSA-N 1 0 383.488 3.706 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1csc(C)n1 ZINC000157272824 868609447 /nfs/dbraw/zinc/60/94/47/868609447.db2.gz SVCZQIKVYFDMJK-UHFFFAOYSA-N 1 0 377.583 3.592 20 30 GHEDRO C=CCn1c(COC)nnc1N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000669816216 868875048 /nfs/dbraw/zinc/87/50/48/868875048.db2.gz GUPCGZLQBOOPKP-UHFFFAOYSA-N 1 0 395.551 3.636 20 30 GHEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000609078959 868902502 /nfs/dbraw/zinc/90/25/02/868902502.db2.gz FFNABUFUVPQOKG-FQEVSTJZSA-N 1 0 392.503 3.909 20 30 GHEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000609078960 868902768 /nfs/dbraw/zinc/90/27/68/868902768.db2.gz FFNABUFUVPQOKG-HXUWFJFHSA-N 1 0 392.503 3.909 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000440854087 869019182 /nfs/dbraw/zinc/01/91/82/869019182.db2.gz KECLEAMRHCHWNQ-UHFFFAOYSA-N 1 0 397.548 3.847 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000744810364 869079557 /nfs/dbraw/zinc/07/95/57/869079557.db2.gz NPONOPKUDHLZFS-QFIPXVFZSA-N 1 0 379.479 3.808 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C2(CCO)CCCCC2)c1C#N ZINC000440893878 869141860 /nfs/dbraw/zinc/14/18/60/869141860.db2.gz WETULHIZPBQSGQ-UHFFFAOYSA-N 1 0 394.519 3.579 20 30 GHEDRO Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000524615032 869346732 /nfs/dbraw/zinc/34/67/32/869346732.db2.gz JJRNFKILDCWMEJ-UHFFFAOYSA-N 1 0 395.413 3.738 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000609098649 869513986 /nfs/dbraw/zinc/51/39/86/869513986.db2.gz RIADAKFKXVGCOJ-QHCPKHFHSA-N 1 0 388.515 3.804 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000524836406 869637235 /nfs/dbraw/zinc/63/72/35/869637235.db2.gz RXHIRLOLVOXSAL-HXUWFJFHSA-N 1 0 398.388 3.823 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000539728520 869679087 /nfs/dbraw/zinc/67/90/87/869679087.db2.gz ZYSYUYJXJNRVLF-VQIMIIECSA-N 1 0 387.549 3.910 20 30 GHEDRO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000446653590 870149551 /nfs/dbraw/zinc/14/95/51/870149551.db2.gz NJKZSFQUXPIJDG-SFHVURJKSA-N 1 0 399.457 3.734 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446715952 870250995 /nfs/dbraw/zinc/25/09/95/870250995.db2.gz GEXHWHKFQOTCRX-NTKDMRAZSA-N 1 0 391.515 3.994 20 30 GHEDRO COc1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1OCCCC#N ZINC000462874036 870268958 /nfs/dbraw/zinc/26/89/58/870268958.db2.gz AKZQZSMJUYMDFJ-OAQYLSRUSA-N 1 0 395.503 3.556 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609108723 870419396 /nfs/dbraw/zinc/41/93/96/870419396.db2.gz JSWIKFUUZHAEKO-HSZRJFAPSA-N 1 0 390.531 3.684 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000746343494 870464209 /nfs/dbraw/zinc/46/42/09/870464209.db2.gz DYSYZKPQPXFHHL-OAQYLSRUSA-N 1 0 390.531 3.770 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746417343 870640485 /nfs/dbraw/zinc/64/04/85/870640485.db2.gz GHWQANQMADWJKW-QFIPXVFZSA-N 1 0 391.515 3.505 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2OC)c(OC)c1 ZINC000525407647 870640412 /nfs/dbraw/zinc/64/04/12/870640412.db2.gz CGMGOTMRSJZECQ-LJQANCHMSA-N 1 0 382.460 3.800 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463026751 870686082 /nfs/dbraw/zinc/68/60/82/870686082.db2.gz CGGRHQNJWYXIJM-AWEZNQCLSA-N 1 0 389.293 3.933 20 30 GHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249094109 870753019 /nfs/dbraw/zinc/75/30/19/870753019.db2.gz FFPSYRFCAUZTGV-ZAAXVRCTSA-N 1 0 382.907 3.817 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000766437334 870767602 /nfs/dbraw/zinc/76/76/02/870767602.db2.gz JYPWQPCOLFBAGP-IEBWSBKVSA-N 1 0 380.488 3.645 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(CO)CC(c4ccccc4)C3)CC2)cc1 ZINC000463243982 871254880 /nfs/dbraw/zinc/25/48/80/871254880.db2.gz RGOMDJVSUTZWBI-UHFFFAOYSA-N 1 0 389.543 3.669 20 30 GHEDRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)cn1 ZINC001169216678 871311990 /nfs/dbraw/zinc/31/19/90/871311990.db2.gz KHVDGEMSTFPEIG-NRFANRHFSA-N 1 0 393.878 3.653 20 30 GHEDRO CC(C)C[N@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@@H]1CCCc2cccnc21 ZINC000766633535 871335192 /nfs/dbraw/zinc/33/51/92/871335192.db2.gz GJOCVZXAEOQZQE-OAQYLSRUSA-N 1 0 376.504 3.597 20 30 GHEDRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)(C)C)cn1 ZINC000540476676 871357283 /nfs/dbraw/zinc/35/72/83/871357283.db2.gz ZMGQCMHRFQJVFJ-IBGZPJMESA-N 1 0 399.564 3.938 20 30 GHEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OCC2(C#N)CCOCC2)c1 ZINC000181666579 871366264 /nfs/dbraw/zinc/36/62/64/871366264.db2.gz NGLAOSIBZJGOCU-UHFFFAOYSA-N 1 0 378.472 3.796 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670216399 871414126 /nfs/dbraw/zinc/41/41/26/871414126.db2.gz CKCOHROPIWIWIW-DLBZAZTESA-N 1 0 387.503 3.664 20 30 GHEDRO COc1ccc(CN2CC[NH+](C)CC2)cc1N[C@@](C)(C#N)c1ccccc1Cl ZINC001169390741 871463607 /nfs/dbraw/zinc/46/36/07/871463607.db2.gz MIAVJRNYDXDFNF-QFIPXVFZSA-N 1 0 398.938 3.947 20 30 GHEDRO N#CC(CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000618281338 871466073 /nfs/dbraw/zinc/46/60/73/871466073.db2.gz UAIUNSSAUCYMIZ-HSZRJFAPSA-N 1 0 387.527 3.973 20 30 GHEDRO CC(C)OC(=O)C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000181829913 871526568 /nfs/dbraw/zinc/52/65/68/871526568.db2.gz BSUOEXDZETVDEP-KRWDZBQOSA-N 1 0 385.489 3.621 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](CC)Cc1ccc3c(c1)OCO3)CC2 ZINC001170441722 882521895 /nfs/dbraw/zinc/52/18/95/882521895.db2.gz KFBLHQAYBMFGCV-CVDCTZTESA-N 1 0 384.520 3.770 20 30 GHEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001169568809 871644640 /nfs/dbraw/zinc/64/46/40/871644640.db2.gz RLKIYHLFCSRTQU-PGRDOPGGSA-N 1 0 378.520 3.631 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000540593355 871649667 /nfs/dbraw/zinc/64/96/67/871649667.db2.gz GSYSKOCXDVQIMD-PBHICJAKSA-N 1 0 378.394 3.959 20 30 GHEDRO CCC(=O)Nc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000540597980 871666390 /nfs/dbraw/zinc/66/63/90/871666390.db2.gz ZVMAHCYWTJPHFP-UHFFFAOYSA-N 1 0 376.504 3.661 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103319545 871685196 /nfs/dbraw/zinc/68/51/96/871685196.db2.gz QBIJHZMJUXGUTQ-QFIPXVFZSA-N 1 0 393.506 3.535 20 30 GHEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000463403316 871685456 /nfs/dbraw/zinc/68/54/56/871685456.db2.gz GMCBDDLDZDNZQO-KFKAGJAMSA-N 1 0 375.488 3.643 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CCc1cccc(Br)c1 ZINC000463422003 871701056 /nfs/dbraw/zinc/70/10/56/871701056.db2.gz QNUTWIWEWLOKIY-UHFFFAOYSA-N 1 0 386.293 3.824 20 30 GHEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000191657119 882553510 /nfs/dbraw/zinc/55/35/10/882553510.db2.gz OSIRWSYHZRNJLW-UWJYYQICSA-N 1 0 389.565 3.892 20 30 GHEDRO CCCCCCCCOC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001194740224 871899929 /nfs/dbraw/zinc/89/99/29/871899929.db2.gz FFRGNJAROQJZOW-RTWAWAEBSA-N 1 0 389.540 3.854 20 30 GHEDRO CCCCCCCCCOC(=O)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001194910957 872026630 /nfs/dbraw/zinc/02/66/30/872026630.db2.gz AGPLSEFRONXPIX-RTBURBONSA-N 1 0 390.528 3.501 20 30 GHEDRO COc1ccc(C)cc1C(=O)C(C(=S)NCC(F)(F)F)[n+]1cccc(C)c1 ZINC000101534955 872070398 /nfs/dbraw/zinc/07/03/98/872070398.db2.gz KPVYRVXUNJAJGP-UHFFFAOYSA-O 1 0 397.442 3.690 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000463598712 872131653 /nfs/dbraw/zinc/13/16/53/872131653.db2.gz YNLZAQBXBCBRSR-UHFFFAOYSA-N 1 0 395.503 3.644 20 30 GHEDRO C=CCCOc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001195142543 872197058 /nfs/dbraw/zinc/19/70/58/872197058.db2.gz RSRYJOWCRCCRHO-UHFFFAOYSA-N 1 0 389.499 3.930 20 30 GHEDRO CCc1ccc([C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000552255410 872305704 /nfs/dbraw/zinc/30/57/04/872305704.db2.gz FGHVNMAYCLRODN-XMMPIXPASA-N 1 0 376.548 3.982 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)CCCO2 ZINC000794168603 882601996 /nfs/dbraw/zinc/60/19/96/882601996.db2.gz IZQDLRQVEYAJIP-OAQYLSRUSA-N 1 0 376.504 3.988 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000101906219 872357413 /nfs/dbraw/zinc/35/74/13/872357413.db2.gz JHBQJAGWOCIDQU-KRWDZBQOSA-N 1 0 386.565 3.900 20 30 GHEDRO COCC[N@H+](C)[C@H](CNC(=O)c1cc(C)cc(C#N)c1)c1ccc(Cl)cc1 ZINC001195448745 872395752 /nfs/dbraw/zinc/39/57/52/872395752.db2.gz VZIRNWUJEOUKNB-HXUWFJFHSA-N 1 0 385.895 3.569 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])c1 ZINC001195438017 872421548 /nfs/dbraw/zinc/42/15/48/872421548.db2.gz ZWAUEVFEUSBUTJ-MXXWWZHRSA-N 1 0 379.463 3.583 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121409414 872604036 /nfs/dbraw/zinc/60/40/36/872604036.db2.gz SLMJXIUTDQHNEP-AWEZNQCLSA-N 1 0 387.461 3.609 20 30 GHEDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)COc3ccc(C#N)cc3)oc21 ZINC000182657081 872633103 /nfs/dbraw/zinc/63/31/03/872633103.db2.gz XMKZBTOCOVRTPE-YJBOKZPZSA-N 1 0 380.444 3.794 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)cc1 ZINC000443438524 872703284 /nfs/dbraw/zinc/70/32/84/872703284.db2.gz RNZJQFUDUFPIMQ-UHFFFAOYSA-N 1 0 390.409 3.693 20 30 GHEDRO COc1cccc2c1CCN([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000182709913 872703770 /nfs/dbraw/zinc/70/37/70/872703770.db2.gz VIPJNPUCCCWLJE-MRXNPFEDSA-N 1 0 381.451 3.528 20 30 GHEDRO C=CCN1CC[C@@H]([NH+]2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)C1=O ZINC000619621575 872830699 /nfs/dbraw/zinc/83/06/99/872830699.db2.gz HMZZWDZYUWCLSX-HXUWFJFHSA-N 1 0 384.520 3.608 20 30 GHEDRO COc1ccc(C(C)=NNC(=S)Nc2ccccn2)cc1C[NH+]1CCCCC1 ZINC000767805768 872839385 /nfs/dbraw/zinc/83/93/85/872839385.db2.gz VHMYFFPEABAQDV-UHFFFAOYSA-N 1 0 397.548 3.787 20 30 GHEDRO COc1ccc([N-][NH+]=Cc2ccccc2N(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000767800475 872860012 /nfs/dbraw/zinc/86/00/12/872860012.db2.gz AVEIHKCZXWAHJJ-UHFFFAOYSA-N 1 0 397.479 3.580 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H]2CCCC23CCOCC3)c1C#N ZINC000619723139 872921015 /nfs/dbraw/zinc/92/10/15/872921015.db2.gz GXYWREJRPZTSLR-FQEVSTJZSA-N 1 0 398.551 3.969 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000619784475 872997747 /nfs/dbraw/zinc/99/77/47/872997747.db2.gz OWRHPMSGRSBJHY-FUHWJXTLSA-N 1 0 382.426 3.547 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619816805 873046489 /nfs/dbraw/zinc/04/64/89/873046489.db2.gz FUBSWYIXRDYZHT-OAQYLSRUSA-N 1 0 386.503 3.547 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000619822899 873055739 /nfs/dbraw/zinc/05/57/39/873055739.db2.gz AODAGRCBMVJVHJ-WOJBJXKFSA-N 1 0 382.895 3.801 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619827302 873058593 /nfs/dbraw/zinc/05/85/93/873058593.db2.gz ZSNDCYNOQYOMDJ-UHFFFAOYSA-N 1 0 388.874 3.624 20 30 GHEDRO CCN1CC[C@@H]([NH2+]CCOc2ccccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000619809720 873062818 /nfs/dbraw/zinc/06/28/18/873062818.db2.gz CZEPFELCYJVRPQ-NQIIRXRSSA-N 1 0 389.421 3.779 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)C(C)C ZINC000070883557 873068016 /nfs/dbraw/zinc/06/80/16/873068016.db2.gz VCBDQGJCMKCWFA-NRFANRHFSA-N 1 0 388.527 3.689 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000183003010 873070634 /nfs/dbraw/zinc/07/06/34/873070634.db2.gz XKXQIKAKXMXLKZ-HNNXBMFYSA-N 1 0 394.450 3.930 20 30 GHEDRO CCOc1ccccc1N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000768143526 873091690 /nfs/dbraw/zinc/09/16/90/873091690.db2.gz YDBUNXQKUORFBR-UHFFFAOYSA-N 1 0 378.520 3.757 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768221350 873173849 /nfs/dbraw/zinc/17/38/49/873173849.db2.gz PXDRPPIZXIUBMG-NJNPRVFISA-N 1 0 393.487 3.635 20 30 GHEDRO COc1cc(OC)cc([C@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000768404776 873272482 /nfs/dbraw/zinc/27/24/82/873272482.db2.gz ZDKGDRXVKLRNIT-RUDSSYLZSA-N 1 0 380.488 3.731 20 30 GHEDRO CNC(=O)c1ccc(C[N@H+](Cc2cccc(OCCCC#N)c2)C2CC2)cc1 ZINC000768424165 873295641 /nfs/dbraw/zinc/29/56/41/873295641.db2.gz XCQVQTRPOXXWLL-UHFFFAOYSA-N 1 0 377.488 3.893 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000768501126 873340352 /nfs/dbraw/zinc/34/03/52/873340352.db2.gz UCGKPKYGFRBSJH-VQTJNVASSA-N 1 0 397.592 3.949 20 30 GHEDRO CN(C)C[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC001196737485 873344256 /nfs/dbraw/zinc/34/42/56/873344256.db2.gz UVKMCPOIWUDSER-RBUKOAKNSA-N 1 0 378.303 3.791 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000448466952 873424366 /nfs/dbraw/zinc/42/43/66/873424366.db2.gz OSMDZBZSTSDAST-SFHVURJKSA-N 1 0 395.469 3.724 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NCc3ccccc3Cl)CC2)c1 ZINC001196851015 873432704 /nfs/dbraw/zinc/43/27/04/873432704.db2.gz UFTNUAYWHQELRW-UHFFFAOYSA-N 1 0 398.963 3.840 20 30 GHEDRO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000768870857 873635253 /nfs/dbraw/zinc/63/52/53/873635253.db2.gz DRSPQPYPDDWBKJ-QFIPXVFZSA-N 1 0 392.503 3.648 20 30 GHEDRO C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(-c2ccccc2)n(C)n1 ZINC000527888110 873718085 /nfs/dbraw/zinc/71/80/85/873718085.db2.gz QWOQXTRRNOHXFT-DYESRHJHSA-N 1 0 399.498 3.805 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448714191 873842499 /nfs/dbraw/zinc/84/24/99/873842499.db2.gz OFWCYRUDFNZCSL-HUUCEWRRSA-N 1 0 392.341 3.809 20 30 GHEDRO C[C@@H](C#N)c1ccc(NC(=O)c2cccc(CN3CCC[N@H+](C)CC3)c2)cc1 ZINC001197511224 873848416 /nfs/dbraw/zinc/84/84/16/873848416.db2.gz ULQZQOZYWADQJC-SFHVURJKSA-N 1 0 376.504 3.703 20 30 GHEDRO Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)s3)cs2)nn1-c1cc[nH+]cc1 ZINC001197533176 873862214 /nfs/dbraw/zinc/86/22/14/873862214.db2.gz BAXAMSWZOPZLOW-UHFFFAOYSA-N 1 0 392.469 3.885 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)nc1 ZINC001197534008 873863422 /nfs/dbraw/zinc/86/34/22/873863422.db2.gz UKPKNUIQRJTQPO-GUYCJALGSA-N 1 0 388.393 3.818 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000769234198 873910461 /nfs/dbraw/zinc/91/04/61/873910461.db2.gz ZOENZKJEXRHFGC-UHFFFAOYSA-N 1 0 392.503 3.593 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](C(C)(C)O)C3)sc2C1 ZINC001197587294 873927162 /nfs/dbraw/zinc/92/71/62/873927162.db2.gz ATBVVRXXNSTKQH-LSDHHAIUSA-N 1 0 389.565 3.556 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463026752 873962200 /nfs/dbraw/zinc/96/22/00/873962200.db2.gz CGGRHQNJWYXIJM-CQSZACIVSA-N 1 0 389.293 3.933 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC001203242781 874018364 /nfs/dbraw/zinc/01/83/64/874018364.db2.gz KVUUFWZBFJBXLP-OAHLLOKOSA-N 1 0 385.183 3.561 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)ccc1F ZINC001197748539 874023842 /nfs/dbraw/zinc/02/38/42/874023842.db2.gz HZYULETZRDBBQT-CYBMUJFWSA-N 1 0 375.245 3.629 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192125302 882784752 /nfs/dbraw/zinc/78/47/52/882784752.db2.gz RNIUVALJCWTRLA-NQSCKRDGSA-N 1 0 389.442 3.553 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000769419017 874034780 /nfs/dbraw/zinc/03/47/80/874034780.db2.gz KINKXEWKCXRGGP-MRXNPFEDSA-N 1 0 377.406 3.658 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CCCCC1 ZINC000448856666 874054234 /nfs/dbraw/zinc/05/42/34/874054234.db2.gz BUOMIBGGXGJWIC-LJQANCHMSA-N 1 0 383.536 3.849 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000769514890 874122148 /nfs/dbraw/zinc/12/21/48/874122148.db2.gz PAUVKYKSTLBMBX-UHOSZYNNSA-N 1 0 385.508 3.951 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000541717659 874158314 /nfs/dbraw/zinc/15/83/14/874158314.db2.gz BQYFPNPIHFLDSU-PMACEKPBSA-N 1 0 383.536 3.830 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(CC3CCCCC3)CC2)c1 ZINC001198211428 874275578 /nfs/dbraw/zinc/27/55/78/874275578.db2.gz VIPXEENNOCAWKC-UHFFFAOYSA-N 1 0 381.520 3.998 20 30 GHEDRO C[C@@H](CNC(=O)c1cccc(C#N)c1Br)[N@H+](C)Cc1ccccc1 ZINC000448958011 874285408 /nfs/dbraw/zinc/28/54/08/874285408.db2.gz VJONASWEPXJKLF-AWEZNQCLSA-N 1 0 386.293 3.571 20 30 GHEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000464767053 874457772 /nfs/dbraw/zinc/45/77/72/874457772.db2.gz BYVCJSMYURWEFP-QZTJIDSGSA-N 1 0 398.494 3.779 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775884962 874544859 /nfs/dbraw/zinc/54/48/59/874544859.db2.gz QKCQJYWMEHCUCQ-GOSISDBHSA-N 1 0 382.552 3.663 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)c(OC)c1 ZINC000464806482 874559709 /nfs/dbraw/zinc/55/97/09/874559709.db2.gz FHUREHHFVGTGBA-QGZVFWFLSA-N 1 0 390.549 3.762 20 30 GHEDRO CC1(C#N)CCC([NH2+]CCOc2ccc(I)cc2)CC1 ZINC000449308018 874697053 /nfs/dbraw/zinc/69/70/53/874697053.db2.gz UAKRWQPSXHQWEA-UHFFFAOYSA-N 1 0 384.261 3.732 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528581904 874742873 /nfs/dbraw/zinc/74/28/73/874742873.db2.gz MEJAOQJLTSAVAI-QGZVFWFLSA-N 1 0 386.540 3.571 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CC[C@](C)(COC)C2)cc1OC ZINC000449395698 874791934 /nfs/dbraw/zinc/79/19/34/874791934.db2.gz QGTXJQWYWSDJGO-SFHVURJKSA-N 1 0 384.314 3.881 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1 ZINC000528638741 874837751 /nfs/dbraw/zinc/83/77/51/874837751.db2.gz ITZBGICFKJWBLV-JOCHJYFZSA-N 1 0 376.500 3.979 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)cc1OC ZINC000449430327 874850591 /nfs/dbraw/zinc/85/05/91/874850591.db2.gz VYJYAPNBEZSIAJ-HOCLYGCPSA-N 1 0 384.314 3.615 20 30 GHEDRO COc1cc(C[N@@H+]2CCOCC3(CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000542055026 874865889 /nfs/dbraw/zinc/86/58/89/874865889.db2.gz JFQFZGDTYHXOBI-UHFFFAOYSA-N 1 0 378.472 3.758 20 30 GHEDRO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062402 874874185 /nfs/dbraw/zinc/87/41/85/874874185.db2.gz VYNNGPGBHBEIEY-IERDGZPVSA-N 1 0 379.529 3.840 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178250185 882874871 /nfs/dbraw/zinc/87/48/71/882874871.db2.gz ULNBNSPUUXVQQW-RTBURBONSA-N 1 0 386.536 3.603 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)cc(OC)c1O ZINC000449471559 874903166 /nfs/dbraw/zinc/90/31/66/874903166.db2.gz MVOJHPRPUBEAJH-UHFFFAOYSA-N 1 0 382.508 3.981 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1OCCCC#N ZINC000449533293 875015859 /nfs/dbraw/zinc/01/58/59/875015859.db2.gz FHENCVMKPGMMRV-CTNGQTDRSA-N 1 0 381.476 3.783 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449548990 875029105 /nfs/dbraw/zinc/02/91/05/875029105.db2.gz STMYQMMTTCMSPC-OLZOCXBDSA-N 1 0 390.119 3.617 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528780056 875052210 /nfs/dbraw/zinc/05/22/10/875052210.db2.gz ASCDMSAMNDSQHM-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+](CCO)C2CCSCC2)c1 ZINC000449683543 875236428 /nfs/dbraw/zinc/23/64/28/875236428.db2.gz JDQXMHAPFQZRBP-UHFFFAOYSA-N 1 0 382.529 3.827 20 30 GHEDRO CN(C(=O)/C=C/c1ccccc1C#N)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000771445325 875272553 /nfs/dbraw/zinc/27/25/53/875272553.db2.gz ITEDBWBAMHYWNW-MDWZMJQESA-N 1 0 375.472 3.709 20 30 GHEDRO COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(N4CC[NH+](C)CC4)cc3)c2c1 ZINC000771524247 875312088 /nfs/dbraw/zinc/31/20/88/875312088.db2.gz HNBJGVPVSWXMJT-YHYXMXQVSA-N 1 0 375.472 3.824 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000065473625 875325317 /nfs/dbraw/zinc/32/53/17/875325317.db2.gz HIUSDTYUVMYELW-LJQANCHMSA-N 1 0 384.455 3.909 20 30 GHEDRO N#CCC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CC1 ZINC000529004511 875398903 /nfs/dbraw/zinc/39/89/03/875398903.db2.gz UCKCXZHBQVEIFK-WOJBJXKFSA-N 1 0 394.544 3.511 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCCCC1 ZINC000542373746 875471234 /nfs/dbraw/zinc/47/12/34/875471234.db2.gz YEAQDSYOBKBZNT-IBGZPJMESA-N 1 0 376.504 3.867 20 30 GHEDRO COCc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529212496 875837435 /nfs/dbraw/zinc/83/74/35/875837435.db2.gz JISRYCZMFGXLIF-PKOBYXMFSA-N 1 0 392.503 3.737 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000151720051 875850589 /nfs/dbraw/zinc/85/05/89/875850589.db2.gz LSTREVRDBAYCFA-UHFFFAOYSA-N 1 0 388.487 3.848 20 30 GHEDRO CCCCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC001201776732 875875014 /nfs/dbraw/zinc/87/50/14/875875014.db2.gz JELMBHSHESROGZ-SFTDATJTSA-N 1 0 378.582 3.634 20 30 GHEDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000858248876 882975133 /nfs/dbraw/zinc/97/51/33/882975133.db2.gz KEZLYRRFJDZXAG-UHFFFAOYSA-N 1 0 387.487 3.736 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000120590362 876115188 /nfs/dbraw/zinc/11/51/88/876115188.db2.gz CYFGGQOWZVVCSB-UHFFFAOYSA-N 1 0 390.531 3.678 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)ccc1OC ZINC000785575011 876137756 /nfs/dbraw/zinc/13/77/56/876137756.db2.gz QWPKGNQDJXOODK-NYHFZMIOSA-N 1 0 385.460 3.591 20 30 GHEDRO CCOc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(F)cc1OC ZINC000529518330 876260958 /nfs/dbraw/zinc/26/09/58/876260958.db2.gz DNPWVKYKQVBMNU-UHFFFAOYSA-N 1 0 397.494 3.813 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccsc3C(F)(F)F)C2=O)cc1 ZINC000529541905 876295087 /nfs/dbraw/zinc/29/50/87/876295087.db2.gz MOYGXEHIPHGOJY-HNNXBMFYSA-N 1 0 379.407 3.924 20 30 GHEDRO C#CCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000153160966 883020225 /nfs/dbraw/zinc/02/02/25/883020225.db2.gz YNQXJSIIKANIOE-UHFFFAOYSA-N 1 0 394.490 3.675 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]CC(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000850034586 876618978 /nfs/dbraw/zinc/61/89/78/876618978.db2.gz PATUWWMSBWPNRF-UHFFFAOYSA-N 1 0 384.277 3.733 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000609355917 883047721 /nfs/dbraw/zinc/04/77/21/883047721.db2.gz LCPCRNAIKHUYQR-ZIAGYGMSSA-N 1 0 398.429 3.884 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000609355603 883048634 /nfs/dbraw/zinc/04/86/34/883048634.db2.gz LILGSBBACHOLBE-HNNXBMFYSA-N 1 0 378.423 3.642 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc(OC)c1OC ZINC000850118837 876680869 /nfs/dbraw/zinc/68/08/69/876680869.db2.gz KKGBCEYWWHOZGI-NRFANRHFSA-N 1 0 383.488 3.890 20 30 GHEDRO C[C@H](NC(=O)c1cccc(C#N)c1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000450697966 876789137 /nfs/dbraw/zinc/78/91/37/876789137.db2.gz OONVDIHOGRYJMI-SCLBCKFNSA-N 1 0 386.293 3.742 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)c(F)c1 ZINC000850432855 876916243 /nfs/dbraw/zinc/91/62/43/876916243.db2.gz GCWLHQDDHYPUOS-SFHVURJKSA-N 1 0 391.368 3.823 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850434621 876917518 /nfs/dbraw/zinc/91/75/18/876917518.db2.gz ZHPDFYDRZCZKTC-LJQANCHMSA-N 1 0 395.469 3.652 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850467213 876946499 /nfs/dbraw/zinc/94/64/99/876946499.db2.gz SNTYDZFYLMLUSN-WBAXXEDZSA-N 1 0 382.426 3.593 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000121370706 876956070 /nfs/dbraw/zinc/95/60/70/876956070.db2.gz ZDSYFZNVVOIUCA-MRXNPFEDSA-N 1 0 379.460 3.534 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000787021233 877097904 /nfs/dbraw/zinc/09/79/04/877097904.db2.gz AMZXNJAZNYYRBD-UHFFFAOYSA-N 1 0 380.454 3.878 20 30 GHEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000174814324 877265440 /nfs/dbraw/zinc/26/54/40/877265440.db2.gz NCKJDFAWXFRCGU-UHFFFAOYSA-N 1 0 387.915 3.838 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)ccc1OC)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051133 912221804 /nfs/dbraw/zinc/22/18/04/912221804.db2.gz WBGITEADNKQWGT-KRWDZBQOSA-N 1 0 395.503 3.944 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001183076004 912235054 /nfs/dbraw/zinc/23/50/54/912235054.db2.gz MNTGSXXYBVFQQP-SFHVURJKSA-N 1 0 377.326 3.635 20 30 GHEDRO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCOC2)O1 ZINC000530281406 877443396 /nfs/dbraw/zinc/44/33/96/877443396.db2.gz VKJGKDDPLQSVQF-FDDCHVKYSA-N 1 0 378.472 3.517 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC000067860320 877508045 /nfs/dbraw/zinc/50/80/45/877508045.db2.gz PSJFANXEZCUZTC-UHFFFAOYSA-N 1 0 392.465 3.979 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000175283646 877579936 /nfs/dbraw/zinc/57/99/36/877579936.db2.gz UBKMOELXCRZEJX-UHFFFAOYSA-N 1 0 376.504 3.882 20 30 GHEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000451251597 877665719 /nfs/dbraw/zinc/66/57/19/877665719.db2.gz GDKAWICOUPZIMJ-LEWJYISDSA-N 1 0 380.488 3.739 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451304407 877780679 /nfs/dbraw/zinc/78/06/79/877780679.db2.gz IKAGXMKEMUTMIL-KRWDZBQOSA-N 1 0 394.393 3.678 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179673757 877823450 /nfs/dbraw/zinc/82/34/50/877823450.db2.gz TWBYYBHAXOKDDC-UHFFFAOYSA-N 1 0 391.862 3.615 20 30 GHEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000179663470 877843111 /nfs/dbraw/zinc/84/31/11/877843111.db2.gz MLAOUTAHKIRQKU-YLJYHZDGSA-N 1 0 377.916 3.834 20 30 GHEDRO COCCN(C(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC001183107579 912289664 /nfs/dbraw/zinc/28/96/64/912289664.db2.gz YHOUKJMGSXCWNB-AWEZNQCLSA-N 1 0 398.334 3.560 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1C#N ZINC000451418060 877943552 /nfs/dbraw/zinc/94/35/52/877943552.db2.gz LXOPRZXBZDREAX-TYPHKJRUSA-N 1 0 398.551 3.656 20 30 GHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000493011472 877984909 /nfs/dbraw/zinc/98/49/09/877984909.db2.gz UISUHCNYFYCAPB-WOJBJXKFSA-N 1 0 391.471 3.566 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)c(OC)c1 ZINC000285469621 912302956 /nfs/dbraw/zinc/30/29/56/912302956.db2.gz NOSYTZRFYBFXTD-CXAGYDPISA-N 1 0 385.464 3.853 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000852102226 878076359 /nfs/dbraw/zinc/07/63/59/878076359.db2.gz WVXYWELUFGOEOP-QHCPKHFHSA-N 1 0 393.487 3.668 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000192799215 878108757 /nfs/dbraw/zinc/10/87/57/878108757.db2.gz MJFZZZCYKLTZAC-OAQYLSRUSA-N 1 0 392.499 3.969 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000451682738 878337261 /nfs/dbraw/zinc/33/72/61/878337261.db2.gz PXLBIUUIPOYNRJ-DXIQSLLYSA-N 1 0 384.545 3.839 20 30 GHEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473403 878352162 /nfs/dbraw/zinc/35/21/62/878352162.db2.gz MWPPTYBUPKWAIU-CRAIPNDOSA-N 1 0 397.416 3.853 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852474246 878356535 /nfs/dbraw/zinc/35/65/35/878356535.db2.gz VGSNOGYQFLDILZ-QZTJIDSGSA-N 1 0 379.426 3.714 20 30 GHEDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451726052 878358263 /nfs/dbraw/zinc/35/82/63/878358263.db2.gz QPCHAVRELKXVGK-INIZCTEOSA-N 1 0 388.581 3.633 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2)CC1 ZINC000110656556 878391717 /nfs/dbraw/zinc/39/17/17/878391717.db2.gz XQLDKKYYGKVDRF-HSZRJFAPSA-N 1 0 391.515 3.721 20 30 GHEDRO CCCC(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180053827 878412438 /nfs/dbraw/zinc/41/24/38/878412438.db2.gz YPPONVASWNDHLW-UHFFFAOYSA-N 1 0 387.487 3.987 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000852562070 878425649 /nfs/dbraw/zinc/42/56/49/878425649.db2.gz AUMIUGFQGQWJJB-GOSISDBHSA-N 1 0 399.535 3.801 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1F ZINC000852600713 878457095 /nfs/dbraw/zinc/45/70/95/878457095.db2.gz LQXXFLKVUNRNRE-KRWDZBQOSA-N 1 0 397.416 3.710 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)c(N2CCOCC2)c1 ZINC000530771858 878466621 /nfs/dbraw/zinc/46/66/21/878466621.db2.gz WEBSTTUEXRBESM-UHFFFAOYSA-N 1 0 379.504 3.804 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)CC1 ZINC000068430604 878517107 /nfs/dbraw/zinc/51/71/07/878517107.db2.gz PNACPEQOSATWAX-UHFFFAOYSA-N 1 0 396.487 3.750 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nnc1C(C)(C)C ZINC000460768414 878530834 /nfs/dbraw/zinc/53/08/34/878530834.db2.gz FIFXSOSFRONZAC-BGYRXZFFSA-N 1 0 379.552 3.720 20 30 GHEDRO C[C@](CO)([NH2+]CCC(=O)Nc1sccc1C#N)c1cc(Cl)cc(Cl)c1 ZINC000451887241 878622206 /nfs/dbraw/zinc/62/22/06/878622206.db2.gz JNTCQGSSAVNQFJ-QGZVFWFLSA-N 1 0 398.315 3.752 20 30 GHEDRO Cc1cccc(COc2ccc([C@H](C)NC(=O)C#CC3CC[NH2+]CC3)cc2)c1 ZINC000852834628 878626102 /nfs/dbraw/zinc/62/61/02/878626102.db2.gz VMUBAFVJEYRMON-IBGZPJMESA-N 1 0 376.500 3.754 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000852900808 878652030 /nfs/dbraw/zinc/65/20/30/878652030.db2.gz SBZHRFRNQFCDHM-UHFFFAOYSA-N 1 0 389.337 3.728 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000062205181 878656353 /nfs/dbraw/zinc/65/63/53/878656353.db2.gz HBGNOKGCKGVJPC-QGZVFWFLSA-N 1 0 398.334 3.747 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460945656 878837513 /nfs/dbraw/zinc/83/75/13/878837513.db2.gz WJECJSAEWXLHDD-DSKINZAPSA-N 1 0 395.551 3.697 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460932581 878853005 /nfs/dbraw/zinc/85/30/05/878853005.db2.gz WCZUFDSTPPMISG-FPOVZHCZSA-N 1 0 397.567 3.908 20 30 GHEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000538142699 878888414 /nfs/dbraw/zinc/88/84/14/878888414.db2.gz CKAUJTLOBJYXSE-OAQYLSRUSA-N 1 0 388.433 3.720 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](CC)CC1 ZINC000460954213 878900866 /nfs/dbraw/zinc/90/08/66/878900866.db2.gz WYMUGCIXNCDNKN-LJQANCHMSA-N 1 0 383.540 3.753 20 30 GHEDRO COC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000452075752 878904463 /nfs/dbraw/zinc/90/44/63/878904463.db2.gz DEQVBSJOKKZYSK-QGZVFWFLSA-N 1 0 377.916 3.644 20 30 GHEDRO COc1ccc2ccccc2c1CN[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853354649 878982463 /nfs/dbraw/zinc/98/24/63/878982463.db2.gz QLZWOHVZHRNUDL-UHFFFAOYSA-N 1 0 389.499 3.933 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc(Br)cnc2C#N)CC1 ZINC000853454716 879030242 /nfs/dbraw/zinc/03/02/42/879030242.db2.gz WUHOZMHVAYGKIL-CYBMUJFWSA-N 1 0 386.297 3.748 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178323344 879083089 /nfs/dbraw/zinc/08/30/89/879083089.db2.gz JCTAAMPYWQVXBX-QGZVFWFLSA-N 1 0 378.438 3.828 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538231043 879084743 /nfs/dbraw/zinc/08/47/43/879084743.db2.gz VUEWRSGKEOHNOQ-MRXNPFEDSA-N 1 0 378.460 3.584 20 30 GHEDRO C=CCC[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000538233405 879092255 /nfs/dbraw/zinc/09/22/55/879092255.db2.gz SCOJMZUKVQQRDQ-SFHVURJKSA-N 1 0 394.441 3.694 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000178515687 879135744 /nfs/dbraw/zinc/13/57/44/879135744.db2.gz VHFWCXBSPUHEGU-UHFFFAOYSA-N 1 0 399.336 3.967 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1C ZINC000538275406 879167470 /nfs/dbraw/zinc/16/74/70/879167470.db2.gz DLIQAUZPOMAQPN-NRFANRHFSA-N 1 0 381.524 3.661 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)cc1C ZINC001170114682 879168823 /nfs/dbraw/zinc/16/88/23/879168823.db2.gz AKUHOKUGTGMRMU-RPWUZVMVSA-N 1 0 393.531 3.898 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[N@@H+]1C ZINC000616972048 879275993 /nfs/dbraw/zinc/27/59/93/879275993.db2.gz QCNWQMYRVAPHNQ-IBGZPJMESA-N 1 0 379.464 3.549 20 30 GHEDRO C=CCN1C(=O)N(C2CCC([NH+]3CCCCC3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000761573481 879315224 /nfs/dbraw/zinc/31/52/24/879315224.db2.gz CRDAPWHSXKJKLO-HRTMPFAESA-N 1 0 395.547 3.845 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000188704661 879350387 /nfs/dbraw/zinc/35/03/87/879350387.db2.gz JYMCSAMEWFLPPM-QZTJIDSGSA-N 1 0 387.528 3.644 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000180812895 879368274 /nfs/dbraw/zinc/36/82/74/879368274.db2.gz SUGQKWZNWRDINN-JXFKEZNVSA-N 1 0 391.475 3.808 20 30 GHEDRO CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152620978 879477364 /nfs/dbraw/zinc/47/73/64/879477364.db2.gz OPTXKCKOVLAAJQ-FQEVSTJZSA-N 1 0 387.524 3.703 20 30 GHEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000790211392 879532489 /nfs/dbraw/zinc/53/24/89/879532489.db2.gz RNVDKGQEQDBXOV-UHFFFAOYSA-N 1 0 386.417 3.969 20 30 GHEDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000854223710 879641381 /nfs/dbraw/zinc/64/13/81/879641381.db2.gz UQXDNFVMHZXEJY-VSDWSMLSSA-N 1 0 379.504 3.784 20 30 GHEDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)O2 ZINC000181089616 879685788 /nfs/dbraw/zinc/68/57/88/879685788.db2.gz FMRMXONIGGOWNF-JRSYVHTFSA-N 1 0 394.519 3.875 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000854315110 879715295 /nfs/dbraw/zinc/71/52/95/879715295.db2.gz WEFSHKHEBAIVMF-QGZVFWFLSA-N 1 0 379.464 3.740 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000790520409 879790034 /nfs/dbraw/zinc/79/00/34/879790034.db2.gz FRAUBBZHBZSKBW-QGZVFWFLSA-N 1 0 378.394 3.849 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790535798 879802413 /nfs/dbraw/zinc/80/24/13/879802413.db2.gz TVPSTZFFHYDQJP-JTDSTZFVSA-N 1 0 378.438 3.921 20 30 GHEDRO COCC1(C[NH2+]Cc2ccc(C#N)c(C)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790651710 879917005 /nfs/dbraw/zinc/91/70/05/879917005.db2.gz GYOALVUJQGTBQK-UHFFFAOYSA-N 1 0 387.524 3.620 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000790766823 879962094 /nfs/dbraw/zinc/96/20/94/879962094.db2.gz HHIAIVWCKSLMQQ-UHFFFAOYSA-N 1 0 399.535 3.570 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc2ccccc2n1CC#N ZINC000609166891 879962268 /nfs/dbraw/zinc/96/22/68/879962268.db2.gz PAHHUNFSQHGHFS-UHFFFAOYSA-N 1 0 378.451 3.508 20 30 GHEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000286015611 912536810 /nfs/dbraw/zinc/53/68/10/912536810.db2.gz JMBVKTVGHVXDAI-VQTJNVASSA-N 1 0 398.503 3.751 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cc(C#N)cc4[nH]ccc43)nc3ccc(C)cc3n12 ZINC001170150749 880280167 /nfs/dbraw/zinc/28/01/67/880280167.db2.gz ZROUEQDCGDVEMU-UHFFFAOYSA-N 1 0 395.470 3.949 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)ccc1OC ZINC000113211768 880410095 /nfs/dbraw/zinc/41/00/95/880410095.db2.gz UNSIHGFQFMATJO-WIYYLYMNSA-N 1 0 387.524 3.503 20 30 GHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000855304701 880422718 /nfs/dbraw/zinc/42/27/18/880422718.db2.gz NMZWOWBZCMGENL-QHCPKHFHSA-N 1 0 388.471 3.587 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000113357919 880521850 /nfs/dbraw/zinc/52/18/50/880521850.db2.gz QOWBGBCARRJCTO-KRWDZBQOSA-N 1 0 382.479 3.650 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3ccccc3Br)CC2)C1=O ZINC001275197520 912583596 /nfs/dbraw/zinc/58/35/96/912583596.db2.gz UTBJEVPXPYPYEL-UHFFFAOYSA-N 1 0 390.325 3.567 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)C1 ZINC000776822041 880596457 /nfs/dbraw/zinc/59/64/57/880596457.db2.gz LLWRIDODYVYMCY-BBRMVZONSA-N 1 0 394.313 3.667 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000776822358 880624210 /nfs/dbraw/zinc/62/42/10/880624210.db2.gz JEIGPIMKCQPBQJ-WBVHZDCISA-N 1 0 382.426 3.904 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2SCC#N)C1 ZINC000855734708 880706895 /nfs/dbraw/zinc/70/68/95/880706895.db2.gz GHOWUDSONASOMF-IBGZPJMESA-N 1 0 379.529 3.691 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2NC(C)C)CC1 ZINC000855862048 880828361 /nfs/dbraw/zinc/82/83/61/880828361.db2.gz OYMMOSPFPUOHRJ-UHFFFAOYSA-N 1 0 378.314 3.553 20 30 GHEDRO C=CC[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccncc1 ZINC000792091269 880919997 /nfs/dbraw/zinc/91/99/97/880919997.db2.gz GHQPHBXBFHOPBD-ABHNRTSZSA-N 1 0 396.457 3.803 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453467834 880973217 /nfs/dbraw/zinc/97/32/17/880973217.db2.gz RXYYYBJSYRVYBU-TZIWHRDSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000453451607 881006013 /nfs/dbraw/zinc/00/60/13/881006013.db2.gz KLUZLWXZQVYKGS-CTNGQTDRSA-N 1 0 395.551 3.664 20 30 GHEDRO N#C[C@]1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCc2ccccc2C1 ZINC000186897768 881017166 /nfs/dbraw/zinc/01/71/66/881017166.db2.gz YNNQIBZJZIXASR-QPPBQGQZSA-N 1 0 391.490 3.605 20 30 GHEDRO N#Cc1ccc(-c2ccc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cc2)o1 ZINC001170166677 881099387 /nfs/dbraw/zinc/09/93/87/881099387.db2.gz KWVPAWNUPVMECD-UHFFFAOYSA-N 1 0 387.443 3.686 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000499106985 881146732 /nfs/dbraw/zinc/14/67/32/881146732.db2.gz QIXFDZWOIOEAEX-UHFFFAOYSA-N 1 0 387.572 3.959 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119893351 881203511 /nfs/dbraw/zinc/20/35/11/881203511.db2.gz YDQDKWPYPSFFAH-YOEHRIQHSA-N 1 0 375.538 3.813 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000089266523 881217057 /nfs/dbraw/zinc/21/70/57/881217057.db2.gz AOCJDUKZKATDRV-OALUTQOASA-N 1 0 377.916 3.510 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(C#N)cc1 ZINC001170234382 881240268 /nfs/dbraw/zinc/24/02/68/881240268.db2.gz TWZDUYCAFPTAIR-DKZVUGQWSA-N 1 0 385.508 3.625 20 30 GHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000453671963 881266721 /nfs/dbraw/zinc/26/67/21/881266721.db2.gz NRSGODXHAKDAHT-YADHBBJMSA-N 1 0 391.515 3.998 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(NCC(C)(C)CCC#N)cc2Br)CC1 ZINC000188883858 881326526 /nfs/dbraw/zinc/32/65/26/881326526.db2.gz VEHIPEBPVOSZGI-UHFFFAOYSA-N 1 0 393.373 3.938 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(C#N)c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494255537 881334205 /nfs/dbraw/zinc/33/42/05/881334205.db2.gz BLWAJPVFVGPJJI-VQIMIIECSA-N 1 0 375.806 3.551 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134948047 883129473 /nfs/dbraw/zinc/12/94/73/883129473.db2.gz LCDRMVPSFZWVFQ-XLIONFOSSA-N 1 0 378.438 3.885 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccc(OCC#N)cc1 ZINC000858519691 883169309 /nfs/dbraw/zinc/16/93/09/883169309.db2.gz JHINMDFBUVAPNY-FZKQIMNGSA-N 1 0 387.842 3.838 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(OCC#N)cc3)C2)c1 ZINC000181889554 883189973 /nfs/dbraw/zinc/18/99/73/883189973.db2.gz YCNYFZNSSAFAKK-QZTJIDSGSA-N 1 0 395.503 3.783 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609516567 883285922 /nfs/dbraw/zinc/28/59/22/883285922.db2.gz UINKBFPCIHCVQW-IAGOWNOFSA-N 1 0 378.476 3.596 20 30 GHEDRO N#Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)ccc1F ZINC000551130505 883337613 /nfs/dbraw/zinc/33/76/13/883337613.db2.gz VOZFGTQAXLWMKT-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000609554030 883366161 /nfs/dbraw/zinc/36/61/61/883366161.db2.gz PYOAEFGZEGJHLD-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO COc1cc2ccccc2cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000609580153 883375632 /nfs/dbraw/zinc/37/56/32/883375632.db2.gz VABXSHXXKPKADH-UHFFFAOYSA-N 1 0 387.483 3.924 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000804903964 883468799 /nfs/dbraw/zinc/46/87/99/883468799.db2.gz RVJYMQJSLRLDQB-IRXDYDNUSA-N 1 0 379.888 3.817 20 30 GHEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c2)cc1 ZINC000609662574 883501544 /nfs/dbraw/zinc/50/15/44/883501544.db2.gz ZIANHDANZZMCSZ-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c2)c1 ZINC000609662511 883501919 /nfs/dbraw/zinc/50/19/19/883501919.db2.gz RVNFRJJFCUWDKG-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CC[NH+](C)CC1 ZINC000609664166 883509003 /nfs/dbraw/zinc/50/90/03/883509003.db2.gz SCULRVRBQYLZFK-QGZVFWFLSA-N 1 0 377.488 3.597 20 30 GHEDRO Cc1ccccc1-c1nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)no1 ZINC000760441616 884094250 /nfs/dbraw/zinc/09/42/50/884094250.db2.gz AESDNBKZQLZVFF-UHFFFAOYSA-N 1 0 391.475 3.872 20 30 GHEDRO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000476159305 884165985 /nfs/dbraw/zinc/16/59/85/884165985.db2.gz MUIIHVIDSFRWGU-WZONZLPQSA-N 1 0 390.531 3.955 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)c1 ZINC000263144562 884170857 /nfs/dbraw/zinc/17/08/57/884170857.db2.gz ORFIZNCRIVIHAC-UHFFFAOYSA-N 1 0 379.913 3.677 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897628130 884209838 /nfs/dbraw/zinc/20/98/38/884209838.db2.gz CWMZIQRREVHCFO-OWCLPIDISA-N 1 0 376.526 3.673 20 30 GHEDRO N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000194742337 884345354 /nfs/dbraw/zinc/34/53/54/884345354.db2.gz WCEVJMQEDXCISM-UHFFFAOYSA-N 1 0 390.487 3.554 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495080603 884506497 /nfs/dbraw/zinc/50/64/97/884506497.db2.gz RSMACHSZSOODRW-UZLBHIALSA-N 1 0 394.494 3.719 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000806291513 884571964 /nfs/dbraw/zinc/57/19/64/884571964.db2.gz YWENSAOTRYOQCV-FQEVSTJZSA-N 1 0 379.504 3.692 20 30 GHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000127593869 884630752 /nfs/dbraw/zinc/63/07/52/884630752.db2.gz PREMLLKLSGIUTD-HOTGVXAUSA-N 1 0 379.460 3.801 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@H]1C ZINC000498500666 884641886 /nfs/dbraw/zinc/64/18/86/884641886.db2.gz KIQBKVSTJLYDAS-CABCVRRESA-N 1 0 383.521 3.552 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@H]1C ZINC000498500668 884642150 /nfs/dbraw/zinc/64/21/50/884642150.db2.gz KIQBKVSTJLYDAS-HUUCEWRRSA-N 1 0 383.521 3.552 20 30 GHEDRO CC(C)CN(C(=O)[C@H]1CCCCN1Cc1ccccc1C#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183842148 912846910 /nfs/dbraw/zinc/84/69/10/912846910.db2.gz SQVGXVNQAZULPC-DNVJHFABSA-N 1 0 396.579 3.667 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3sccc3CC#N)cc2)C[C@H](C)O1 ZINC000898288231 884697957 /nfs/dbraw/zinc/69/79/57/884697957.db2.gz VLYPCSJWXRAYDK-CALCHBBNSA-N 1 0 397.544 3.696 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)cc1 ZINC000898289869 884699123 /nfs/dbraw/zinc/69/91/23/884699123.db2.gz IIQDJPCQJNBGDV-UHFFFAOYSA-N 1 0 383.517 3.682 20 30 GHEDRO CC1CC[NH+](CCCCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487861022 884814769 /nfs/dbraw/zinc/81/47/69/884814769.db2.gz WGCFPAIYWHXJAI-UHFFFAOYSA-N 1 0 393.329 3.954 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]1(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC001183900149 912879235 /nfs/dbraw/zinc/87/92/35/912879235.db2.gz ZXPLFCSCIYTHFW-KEYYUXOJSA-N 1 0 375.435 3.990 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000806746593 884974190 /nfs/dbraw/zinc/97/41/90/884974190.db2.gz HOPRWNFMHXFTSE-HSZRJFAPSA-N 1 0 393.531 3.582 20 30 GHEDRO CC(C)(C#N)CNC(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000498608006 884986084 /nfs/dbraw/zinc/98/60/84/884986084.db2.gz SSOACMFEKWWFLX-UHFFFAOYSA-N 1 0 378.520 3.928 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3ccccc3OC)CC2)CC1 ZINC000106275497 885025482 /nfs/dbraw/zinc/02/54/82/885025482.db2.gz COJRZTXNGQZJAB-UHFFFAOYSA-N 1 0 385.552 3.700 20 30 GHEDRO C#Cc1cncc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000806829145 885043766 /nfs/dbraw/zinc/04/37/66/885043766.db2.gz NHLFLHBNSDIFDO-UHFFFAOYSA-N 1 0 375.516 3.528 20 30 GHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460367000 885065775 /nfs/dbraw/zinc/06/57/75/885065775.db2.gz BOMDSRODBOYUID-MOPGFXCFSA-N 1 0 392.551 3.776 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000103859935 885182154 /nfs/dbraw/zinc/18/21/54/885182154.db2.gz UBWRNUINFICYOS-LJQANCHMSA-N 1 0 398.551 3.623 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460390582 885275404 /nfs/dbraw/zinc/27/54/04/885275404.db2.gz SNSJYQMHASFKKF-ROUUACIJSA-N 1 0 390.535 3.988 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170971028 885651604 /nfs/dbraw/zinc/65/16/04/885651604.db2.gz LTRJIBWQFICOMV-UHFFFAOYSA-N 1 0 387.842 3.585 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000915083340 885706877 /nfs/dbraw/zinc/70/68/77/885706877.db2.gz JWUVUIMUSMWINA-IBGZPJMESA-N 1 0 382.508 3.737 20 30 GHEDRO C[NH+](C)C[C@H](CNC(=O)C(C)(C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000861677410 885755686 /nfs/dbraw/zinc/75/56/86/885755686.db2.gz PWACAUHVHSLRAQ-SFHVURJKSA-N 1 0 383.923 3.951 20 30 GHEDRO N#Cc1ccc(C2(C(=O)Nc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)CCCC2)cc1 ZINC000861789318 885862216 /nfs/dbraw/zinc/86/22/16/885862216.db2.gz QULYHCVNDQRXNK-JOCHJYFZSA-N 1 0 389.499 3.575 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)C(C)(C)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000861844030 885920521 /nfs/dbraw/zinc/92/05/21/885920521.db2.gz HRAPYBLRUDQKRZ-FQEVSTJZSA-N 1 0 381.545 3.977 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)CC1 ZINC000155028348 885985155 /nfs/dbraw/zinc/98/51/55/885985155.db2.gz CKXPZZFTXDNYAD-SFHVURJKSA-N 1 0 388.511 3.638 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)c(F)c1 ZINC001184097607 912999108 /nfs/dbraw/zinc/99/91/08/912999108.db2.gz KBRPFVMYIYFFQX-IBGZPJMESA-N 1 0 389.268 3.943 20 30 GHEDRO COc1ccc([C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000915215846 886028062 /nfs/dbraw/zinc/02/80/62/886028062.db2.gz OBSGJWINNNHEJL-AUSIDOKSSA-N 1 0 398.466 3.973 20 30 GHEDRO N#CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)C1=O ZINC001275286958 913000976 /nfs/dbraw/zinc/00/09/76/913000976.db2.gz IHDKHZSOLOAENZ-IBGZPJMESA-N 1 0 394.302 3.638 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1=S ZINC000808191434 886086947 /nfs/dbraw/zinc/08/69/47/886086947.db2.gz MGRAUDSSASTQIE-HZPDHXFCSA-N 1 0 389.594 3.845 20 30 GHEDRO C=CCn1c(C)nn(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1=S ZINC000747466605 886123164 /nfs/dbraw/zinc/12/31/64/886123164.db2.gz OMCKVSSFOCUALH-JOCHJYFZSA-N 1 0 397.592 3.854 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1nc2c(s1)CCC2 ZINC000556816802 886223272 /nfs/dbraw/zinc/22/32/72/886223272.db2.gz QDRVVMXAHKPGBF-NSHDSACASA-N 1 0 386.546 3.733 20 30 GHEDRO Cn1c(CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)nc2ccccc21 ZINC000556846422 886341131 /nfs/dbraw/zinc/34/11/31/886341131.db2.gz PLDWNNXJEVCDNS-UHFFFAOYSA-N 1 0 378.451 3.670 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000808452951 886363818 /nfs/dbraw/zinc/36/38/18/886363818.db2.gz ACWWVJCSFPEBFU-LADGPHEKSA-N 1 0 386.451 3.721 20 30 GHEDRO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)s1 ZINC000862474570 886398372 /nfs/dbraw/zinc/39/83/72/886398372.db2.gz UZPQBQFKMRAYQO-CQSZACIVSA-N 1 0 385.489 3.600 20 30 GHEDRO COc1cccc([C@@H](O)C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000862543108 886453132 /nfs/dbraw/zinc/45/31/32/886453132.db2.gz COZWQOXHUOYWJW-SBUREZEXSA-N 1 0 380.488 3.932 20 30 GHEDRO COc1cccc([C@@H](O)C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000862543278 886455139 /nfs/dbraw/zinc/45/51/39/886455139.db2.gz GEOLWHJCNJUFLS-DEOSSOPVSA-N 1 0 393.531 3.991 20 30 GHEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000862548595 886459002 /nfs/dbraw/zinc/45/90/02/886459002.db2.gz IOOSJRWLURXUOA-AAEUAGOBSA-N 1 0 376.806 3.704 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccco1 ZINC000556879100 886472243 /nfs/dbraw/zinc/47/22/43/886472243.db2.gz PFGFCZLMZQDYCV-OAHLLOKOSA-N 1 0 386.876 3.648 20 30 GHEDRO C=CCc1cc(C[NH2+]CCOc2ncccc2C(F)(F)F)cc(OC)c1O ZINC000532615855 886506352 /nfs/dbraw/zinc/50/63/52/886506352.db2.gz JAQWGTFERCJSJO-UHFFFAOYSA-N 1 0 382.382 3.712 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(F)c(Br)cc3C)C2)C1=O ZINC001275294820 913051856 /nfs/dbraw/zinc/05/18/56/913051856.db2.gz SAXGPODTWMMIND-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO C[NH+]=C(NCc1ccc(C)nc1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000153596601 886540042 /nfs/dbraw/zinc/54/00/42/886540042.db2.gz GYBUELOSLUKIEJ-GOSISDBHSA-N 1 0 392.425 3.558 20 30 GHEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000153597952 886552436 /nfs/dbraw/zinc/55/24/36/886552436.db2.gz ANCDAYLHPWZPBX-UHFFFAOYSA-N 1 0 383.565 3.561 20 30 GHEDRO Cc1nc(SCC(=O)NCCCC[NH+]2CCC(C)CC2)c(C#N)c(C)c1C ZINC000067796896 886565662 /nfs/dbraw/zinc/56/56/62/886565662.db2.gz XJJZJOHVQNWWSQ-UHFFFAOYSA-N 1 0 388.581 3.599 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000287064830 913073281 /nfs/dbraw/zinc/07/32/81/913073281.db2.gz POJMZZXKABTEBF-WIYYLYMNSA-N 1 0 396.535 3.591 20 30 GHEDRO CC(C)(C)OC(=O)N(CC[NH2+]C[C@H](O)CC1(C#N)CC1)C1CCCCCC1 ZINC000863552442 887206863 /nfs/dbraw/zinc/20/68/63/887206863.db2.gz SALQCMDJHYXGMF-GOSISDBHSA-N 1 0 379.545 3.591 20 30 GHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ncccc2OCCCC#N)c1 ZINC000188744475 887393331 /nfs/dbraw/zinc/39/33/31/887393331.db2.gz ZOTVSESLSONTHY-UHFFFAOYSA-N 1 0 395.507 3.668 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(c2ccccc2C)CCOCC1)C(C)C ZINC000496028912 887406108 /nfs/dbraw/zinc/40/61/08/887406108.db2.gz OPOFTTZGNPNSJC-QFIPXVFZSA-N 1 0 384.564 3.858 20 30 GHEDRO C[C@H]1CN(c2ccccc2C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CCO1 ZINC000459328203 887407646 /nfs/dbraw/zinc/40/76/46/887407646.db2.gz OVBFEVFROISBKY-IBGZPJMESA-N 1 0 391.515 3.827 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670234341 887805917 /nfs/dbraw/zinc/80/59/17/887805917.db2.gz LPHQXRABBMUBCO-SJORKVTESA-N 1 0 387.503 3.664 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)cc1C ZINC001275308171 913205527 /nfs/dbraw/zinc/20/55/27/913205527.db2.gz LHLAFNVXCBDEMP-QZTJIDSGSA-N 1 0 377.326 3.899 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)ccn1 ZINC000810049032 888094051 /nfs/dbraw/zinc/09/40/51/888094051.db2.gz RAKSTWFKRVLRIB-VQIMIIECSA-N 1 0 386.293 3.661 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1N1CCC(O)CC1 ZINC000810217382 888294232 /nfs/dbraw/zinc/29/42/32/888294232.db2.gz CLCDPHRHWWGSQY-IVZQSRNASA-N 1 0 379.479 3.997 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000532700995 888342443 /nfs/dbraw/zinc/34/24/43/888342443.db2.gz SYQRULZLJYGRNV-VMBXEPDQSA-N 1 0 382.552 3.659 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000729682732 888511554 /nfs/dbraw/zinc/51/15/54/888511554.db2.gz BVDOSFQZQKPKKY-MRXNPFEDSA-N 1 0 379.342 3.671 20 30 GHEDRO COc1ccccc1NC(=S)NN=C1CC[NH+](CCc2ccccc2)CC1 ZINC000915942545 888581823 /nfs/dbraw/zinc/58/18/23/888581823.db2.gz DNDMJLGUBOETND-UHFFFAOYSA-N 1 0 382.533 3.676 20 30 GHEDRO S=C(NN=Cc1ccc2occc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000794869987 888611329 /nfs/dbraw/zinc/61/13/29/888611329.db2.gz HNTHCPFIJMGLTQ-UHFFFAOYSA-N 1 0 392.528 3.895 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1OCCCC#N ZINC000865879283 888626732 /nfs/dbraw/zinc/62/67/32/888626732.db2.gz KVVCAQKNHCQQOO-UHFFFAOYSA-N 1 0 381.476 3.647 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC)cc2OC)no1 ZINC001211975390 888767348 /nfs/dbraw/zinc/76/73/48/888767348.db2.gz FZZYVNAAKWJBIY-YJBOKZPZSA-N 1 0 389.496 3.832 20 30 GHEDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)nn1-c1cccc(C#N)c1 ZINC001132400850 888769497 /nfs/dbraw/zinc/76/94/97/888769497.db2.gz RPXDKRUNOHOKPL-OAQYLSRUSA-N 1 0 391.519 3.579 20 30 GHEDRO C=CCCC(=O)Nc1ccc(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810693281 888802018 /nfs/dbraw/zinc/80/20/18/888802018.db2.gz OBRVIKINFFFABR-NRFANRHFSA-N 1 0 376.472 3.847 20 30 GHEDRO C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000866347130 888840378 /nfs/dbraw/zinc/84/03/78/888840378.db2.gz QSLHHKIBHSMIMU-HOYKHHGWSA-N 1 0 398.510 3.818 20 30 GHEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000866347133 888840712 /nfs/dbraw/zinc/84/07/12/888840712.db2.gz QSLHHKIBHSMIMU-UUOWRZLLSA-N 1 0 398.510 3.818 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532768816 888874148 /nfs/dbraw/zinc/87/41/48/888874148.db2.gz ZVJCKHNPKVMFQB-INIZCTEOSA-N 1 0 396.878 3.501 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000810843031 888934486 /nfs/dbraw/zinc/93/44/86/888934486.db2.gz CZXWRZCTKCVBIX-UXHICEINSA-N 1 0 392.503 3.864 20 30 GHEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000542590217 888978663 /nfs/dbraw/zinc/97/86/63/888978663.db2.gz MKJSXGJHRKTZLY-OAHLLOKOSA-N 1 0 390.512 3.957 20 30 GHEDRO CC[C@@H](C)[N@H+](CCCOc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121207255 889029682 /nfs/dbraw/zinc/02/96/82/889029682.db2.gz MXUIRDIDFHTBAC-QGZVFWFLSA-N 1 0 390.487 3.864 20 30 GHEDRO N#CCc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764891 889030983 /nfs/dbraw/zinc/03/09/83/889030983.db2.gz SDIQWPDNGCYEFP-GOSISDBHSA-N 1 0 383.879 3.506 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000130214107 889077890 /nfs/dbraw/zinc/07/78/90/889077890.db2.gz VAJQEJVKECFGRH-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[N@@H+](CC)CC1 ZINC000514695165 889140309 /nfs/dbraw/zinc/14/03/09/889140309.db2.gz YKOHYRLCQYNCGF-UHFFFAOYSA-N 1 0 380.323 3.970 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000532922985 889288825 /nfs/dbraw/zinc/28/88/25/889288825.db2.gz XBRLNZGFTAXKIY-UHFFFAOYSA-N 1 0 377.488 3.937 20 30 GHEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000868097029 889292033 /nfs/dbraw/zinc/29/20/33/889292033.db2.gz BZTWNFDBECFQFD-NRFANRHFSA-N 1 0 397.548 3.834 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000122010428 889303188 /nfs/dbraw/zinc/30/31/88/889303188.db2.gz NDQMSPWULZQAJD-UHFFFAOYSA-N 1 0 384.867 3.828 20 30 GHEDRO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000532933789 889317381 /nfs/dbraw/zinc/31/73/81/889317381.db2.gz NXWFAJARINBNCR-UHFFFAOYSA-N 1 0 381.476 3.672 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000532920145 889333364 /nfs/dbraw/zinc/33/33/64/889333364.db2.gz LYZCWRXUDDTIBX-VQTJNVASSA-N 1 0 393.535 3.552 20 30 GHEDRO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000532965494 889396497 /nfs/dbraw/zinc/39/64/97/889396497.db2.gz FRJVDKXPFBIJEL-LJQANCHMSA-N 1 0 382.483 3.977 20 30 GHEDRO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000532965493 889396694 /nfs/dbraw/zinc/39/66/94/889396694.db2.gz FRJVDKXPFBIJEL-IBGZPJMESA-N 1 0 382.483 3.977 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C ZINC000532988346 889472415 /nfs/dbraw/zinc/47/24/15/889472415.db2.gz KIVRGNCYZMULQP-KSZLIROESA-N 1 0 388.581 3.824 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000454670632 889499376 /nfs/dbraw/zinc/49/93/76/889499376.db2.gz YXIBPWFVKKQVRE-GOSISDBHSA-N 1 0 384.505 3.713 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000122309153 889606481 /nfs/dbraw/zinc/60/64/81/889606481.db2.gz SMZNTZUIVGXJJB-UHFFFAOYSA-N 1 0 380.488 3.524 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454812146 889808665 /nfs/dbraw/zinc/80/86/65/889808665.db2.gz PNTLJQKZCAYIMR-IRLDBZIGSA-N 1 0 399.579 3.959 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000811708020 889885846 /nfs/dbraw/zinc/88/58/46/889885846.db2.gz OSPSQWQFDRQPOA-QGZVFWFLSA-N 1 0 381.505 3.516 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000812187608 890397113 /nfs/dbraw/zinc/39/71/13/890397113.db2.gz ALLWQMSAGSLRPC-NVXWUHKLSA-N 1 0 388.947 3.736 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1Cl ZINC001184813827 913454695 /nfs/dbraw/zinc/45/46/95/913454695.db2.gz UXUQJSMBGYDMSZ-KRWDZBQOSA-N 1 0 389.286 3.827 20 30 GHEDRO Cc1ccnc(C#N)c1-n1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)c2ccnc1-2 ZINC001170670754 890471135 /nfs/dbraw/zinc/47/11/35/890471135.db2.gz IMWLTDFYUXNFKR-OAHLLOKOSA-N 1 0 396.454 3.824 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000533480104 890678987 /nfs/dbraw/zinc/67/89/87/890678987.db2.gz BRCKBNLVCOWUHD-FRIYVGAWSA-N 1 0 383.536 3.891 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000917004650 890732797 /nfs/dbraw/zinc/73/27/97/890732797.db2.gz AZMDCLGNBIEPDX-HXUWFJFHSA-N 1 0 389.421 3.823 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000812777196 890955986 /nfs/dbraw/zinc/95/59/86/890955986.db2.gz YXAYSDOHHRDRSJ-QHCPKHFHSA-N 1 0 380.488 3.911 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849474 891041333 /nfs/dbraw/zinc/04/13/33/891041333.db2.gz OCCFMUGYQYSJQE-YKSBVNFPSA-N 1 0 393.531 3.994 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851735 891042875 /nfs/dbraw/zinc/04/28/75/891042875.db2.gz BIRWYGICITYMRY-GBXCKJPGSA-N 1 0 393.531 3.994 20 30 GHEDRO C#C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000812886498 891066540 /nfs/dbraw/zinc/06/65/40/891066540.db2.gz JYFJBADKOJDEPJ-GLCCWIKHSA-N 1 0 391.490 3.995 20 30 GHEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000812892466 891104701 /nfs/dbraw/zinc/10/47/01/891104701.db2.gz QPRFKHIQYCJRQY-BULFRSBZSA-N 1 0 379.479 3.710 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278346 891225100 /nfs/dbraw/zinc/22/51/00/891225100.db2.gz OHDXKNFYHAVRJN-AZUAARDMSA-N 1 0 399.535 3.754 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)CCO2 ZINC001170696290 891259569 /nfs/dbraw/zinc/25/95/69/891259569.db2.gz RBVLVIHMSRWGJS-LRXVAGHRSA-N 1 0 377.475 3.896 20 30 GHEDRO C#CC[N@@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@H]1CCc2ccccc21 ZINC000917117869 891286044 /nfs/dbraw/zinc/28/60/44/891286044.db2.gz SGHKSDMIKNHUOM-QFIPXVFZSA-N 1 0 386.451 3.874 20 30 GHEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1=S ZINC000872738614 891319035 /nfs/dbraw/zinc/31/90/35/891319035.db2.gz OZXHCNGVUOMCOT-GOSISDBHSA-N 1 0 389.544 3.636 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)ccc1C#N ZINC000813786654 891971320 /nfs/dbraw/zinc/97/13/20/891971320.db2.gz RACBTQNQMFTZGD-GOSISDBHSA-N 1 0 385.508 3.979 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813792855 891984378 /nfs/dbraw/zinc/98/43/78/891984378.db2.gz XOAGHZNVBLXZIB-XIKOKIGWSA-N 1 0 393.256 3.702 20 30 GHEDRO C=CCc1c(Cl)ncnc1N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001170714377 892067028 /nfs/dbraw/zinc/06/70/28/892067028.db2.gz BKDQHQRTSQYUIZ-IYARVYRRSA-N 1 0 389.975 3.609 20 30 GHEDRO NC(=[NH+]OCc1cccc(Cl)c1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC000774825554 913624857 /nfs/dbraw/zinc/62/48/57/913624857.db2.gz HDRNUJZHRKUWDZ-UHFFFAOYSA-N 1 0 394.302 3.792 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000729809529 892222230 /nfs/dbraw/zinc/22/22/30/892222230.db2.gz LJPCEYKJOGTSKA-MRXNPFEDSA-N 1 0 392.459 3.527 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCSc1ccc(Br)cc1 ZINC000729811903 892226971 /nfs/dbraw/zinc/22/69/71/892226971.db2.gz FZPGNAXCCQVSJE-OAHLLOKOSA-N 1 0 382.323 3.572 20 30 GHEDRO CCCN(C(=O)c1cnn(CCC#N)c1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000888669609 892483930 /nfs/dbraw/zinc/48/39/30/892483930.db2.gz WKIUSWCKEVLSLK-NRFANRHFSA-N 1 0 393.535 3.622 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1nc(C(C)C)no1 ZINC000497927570 892790442 /nfs/dbraw/zinc/79/04/42/892790442.db2.gz LEMMQUQJGBTOLQ-HNNXBMFYSA-N 1 0 390.557 3.852 20 30 GHEDRO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCC[C@]4(C3)COCCN(c3cccc(C#N)c3)C4)C[C@@H]21 ZINC001170753089 892914138 /nfs/dbraw/zinc/91/41/38/892914138.db2.gz ZZLWTRXMCBERTO-JTOYRKQZSA-N 1 0 379.548 3.912 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2n1 ZINC000933686242 893131914 /nfs/dbraw/zinc/13/19/14/893131914.db2.gz WEUNIXOTVOTIJY-UWJYYQICSA-N 1 0 379.508 3.703 20 30 GHEDRO CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000814828673 893210562 /nfs/dbraw/zinc/21/05/62/893210562.db2.gz NVAPAVNTAPIQPT-UHFFFAOYSA-N 1 0 381.448 3.581 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933836136 893248674 /nfs/dbraw/zinc/24/86/74/893248674.db2.gz DBSZNDDWJGGUCS-UHFFFAOYSA-N 1 0 387.487 3.903 20 30 GHEDRO CN1CCC(CNC(=O)Nc2ccc(C#N)cc2C2CC2)([NH+]2CCCCC2)CC1 ZINC000933844400 893254296 /nfs/dbraw/zinc/25/42/96/893254296.db2.gz VAHHKXOWALZBRH-UHFFFAOYSA-N 1 0 395.551 3.507 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)NCc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000563049314 893321693 /nfs/dbraw/zinc/32/16/93/893321693.db2.gz KWJWZOWLJAQLHB-FQEVSTJZSA-N 1 0 382.533 3.577 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000876859702 893364263 /nfs/dbraw/zinc/36/42/63/893364263.db2.gz XOKOIOJHQKSOJO-KRWDZBQOSA-N 1 0 388.531 3.867 20 30 GHEDRO N#Cc1ccc(C2(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)CCCC2)cc1 ZINC000876968052 893413921 /nfs/dbraw/zinc/41/39/21/893413921.db2.gz CXDFMWVAHOXMDB-NRFANRHFSA-N 1 0 375.472 3.670 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000877018337 893436362 /nfs/dbraw/zinc/43/63/62/893436362.db2.gz MQULRXZJXDFJFA-KGYLQXTDSA-N 1 0 386.311 3.702 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+](CC=C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675037 893513241 /nfs/dbraw/zinc/51/32/41/893513241.db2.gz JWWOMRSUFWHVEO-GOSISDBHSA-N 1 0 375.476 3.976 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)cc1 ZINC001137116648 893518712 /nfs/dbraw/zinc/51/87/12/893518712.db2.gz MGAAUNTVOXFNHL-JOCHJYFZSA-N 1 0 395.528 3.779 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000815166647 893553756 /nfs/dbraw/zinc/55/37/56/893553756.db2.gz RIXSWJFIQIZASZ-OAHLLOKOSA-N 1 0 392.908 3.584 20 30 GHEDRO CC(=O)N1CC2(CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c2cc(C)ccc21 ZINC001137118218 893555094 /nfs/dbraw/zinc/55/50/94/893555094.db2.gz PWSVLNRRONKPJK-UHFFFAOYSA-N 1 0 389.499 3.798 20 30 GHEDRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001137120282 893629744 /nfs/dbraw/zinc/62/97/44/893629744.db2.gz ATMSMIFISCBQEK-YOFSQIOKSA-N 1 0 379.508 3.980 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CC(c3ncn4cc(Br)ccc34)C2)cc1 ZINC001137121647 893654159 /nfs/dbraw/zinc/65/41/59/893654159.db2.gz WYZJHCKCFQRVFV-UHFFFAOYSA-N 1 0 397.276 3.599 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000877584729 893702900 /nfs/dbraw/zinc/70/29/00/893702900.db2.gz IXMVPUNFROTMGB-YDZRNGNQSA-N 1 0 391.556 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cc(C#N)cnc3Cl)C[C@H]2C1 ZINC000877586028 893703102 /nfs/dbraw/zinc/70/31/02/893703102.db2.gz ZSIWYIJYCFANLL-XIRDDKMYSA-N 1 0 390.915 3.732 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000877654554 893745310 /nfs/dbraw/zinc/74/53/10/893745310.db2.gz QJLBSNYPDBOJAK-QLFBSQMISA-N 1 0 377.451 3.951 20 30 GHEDRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]Cc3cccc(C#N)n3)cccc2C1 ZINC000877668343 893753442 /nfs/dbraw/zinc/75/34/42/893753442.db2.gz PDBQRNVFGMNKDL-UHFFFAOYSA-N 1 0 378.476 3.536 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000459637034 893947661 /nfs/dbraw/zinc/94/76/61/893947661.db2.gz HVDNFGLCLRQIBD-ZWKOTPCHSA-N 1 0 382.483 3.857 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 ZINC000826011668 893950705 /nfs/dbraw/zinc/95/07/05/893950705.db2.gz BZZPLKGDZDBPSA-UHFFFAOYSA-N 1 0 383.879 3.745 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653854 893988651 /nfs/dbraw/zinc/98/86/51/893988651.db2.gz DPSVPWGJUPBPTR-GOSISDBHSA-N 1 0 398.425 3.627 20 30 GHEDRO C=C(C)c1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000934875942 894001124 /nfs/dbraw/zinc/00/11/24/894001124.db2.gz HVTRXLUQHOSJKR-UHFFFAOYSA-N 1 0 379.504 3.998 20 30 GHEDRO COCC1(C)CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000536887940 894028553 /nfs/dbraw/zinc/02/85/53/894028553.db2.gz FPOZMERTQMVYJB-UHFFFAOYSA-N 1 0 377.916 3.644 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1)c1ccccc1 ZINC000878220011 894102482 /nfs/dbraw/zinc/10/24/82/894102482.db2.gz WKLQUUCHEWCYSH-XMMPIXPASA-N 1 0 395.547 3.588 20 30 GHEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000878219676 894103089 /nfs/dbraw/zinc/10/30/89/894103089.db2.gz OYFDSJFHYGIFJW-XMMPIXPASA-N 1 0 395.547 3.588 20 30 GHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000563782705 894188032 /nfs/dbraw/zinc/18/80/32/894188032.db2.gz ILMGGWDZBCJOBB-LAUBAEHRSA-N 1 0 392.551 3.703 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000537021647 894227834 /nfs/dbraw/zinc/22/78/34/894227834.db2.gz GXEKVIMNNYQGGT-OAHLLOKOSA-N 1 0 391.309 3.697 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000127108645 894274391 /nfs/dbraw/zinc/27/43/91/894274391.db2.gz PONLPKVWTHNWIB-UXHICEINSA-N 1 0 386.540 3.535 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c(C)c1)C(=S)NC[C@@H]1CCCO1 ZINC000022691049 894282951 /nfs/dbraw/zinc/28/29/51/894282951.db2.gz LTDANLJZAUCMQC-FQEVSTJZSA-O 1 0 397.564 3.861 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000537076779 894298485 /nfs/dbraw/zinc/29/84/85/894298485.db2.gz QAEDJRMPQVPHBC-VGOFRKELSA-N 1 0 397.494 3.716 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000537076278 894300259 /nfs/dbraw/zinc/30/02/59/894300259.db2.gz YNIWZZOQQSOUEX-DDPYSOHJSA-N 1 0 399.535 3.818 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](COc2ccccc2)c2ccccc2)cc1 ZINC000537115723 894365704 /nfs/dbraw/zinc/36/57/04/894365704.db2.gz ORZWQEFOCUXDSJ-QHCPKHFHSA-N 1 0 385.467 3.584 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCCOC)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000022794657 894406718 /nfs/dbraw/zinc/40/67/18/894406718.db2.gz YDPQKKFFTWDVRS-UHFFFAOYSA-O 1 0 397.564 3.590 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022797937 894408532 /nfs/dbraw/zinc/40/85/32/894408532.db2.gz GSNTWGVOKSOMIA-UHFFFAOYSA-O 1 0 398.552 3.543 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1CC ZINC000022805921 894452043 /nfs/dbraw/zinc/45/20/43/894452043.db2.gz YLJKIPQVTGCRRS-UHFFFAOYSA-O 1 0 386.497 3.692 20 30 GHEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 ZINC000878680792 894506951 /nfs/dbraw/zinc/50/69/51/894506951.db2.gz VOEGKKVOTSNCCR-QHCPKHFHSA-N 1 0 399.535 3.806 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001135450193 894605515 /nfs/dbraw/zinc/60/55/15/894605515.db2.gz CWJXZUSIWAFNGX-KRWDZBQOSA-N 1 0 381.561 3.617 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000564128076 894629077 /nfs/dbraw/zinc/62/90/77/894629077.db2.gz WNGJTPDPIZMCMG-UHFFFAOYSA-N 1 0 391.515 3.833 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(N(C)C)COc2ccccc2C1 ZINC001135486706 894660545 /nfs/dbraw/zinc/66/05/45/894660545.db2.gz DKYCGCTYKXDQEU-FQEVSTJZSA-N 1 0 390.936 3.852 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)ccc2C2CC2)CC1 ZINC000878926608 894726865 /nfs/dbraw/zinc/72/68/65/894726865.db2.gz MUBBTRGBFZXZEX-UHFFFAOYSA-N 1 0 375.310 3.544 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000564230345 894745751 /nfs/dbraw/zinc/74/57/51/894745751.db2.gz QMVAIVMLKQUWPG-CYBMUJFWSA-N 1 0 386.839 3.621 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccc4c(c3)NC(=O)CO4)c2)s1 ZINC000816552420 894907827 /nfs/dbraw/zinc/90/78/27/894907827.db2.gz LUBVGIXOGWOTOR-UHFFFAOYSA-N 1 0 375.453 3.907 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@@H+](CCCSCC#N)C2 ZINC000879404504 895036767 /nfs/dbraw/zinc/03/67/67/895036767.db2.gz OIOFVJUWDXISBM-UHFFFAOYSA-N 1 0 377.510 3.875 20 30 GHEDRO COc1ccc([C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000879461147 895072110 /nfs/dbraw/zinc/07/21/10/895072110.db2.gz DTDDXZHLBMLWKL-WSTLGDPDSA-N 1 0 385.508 3.680 20 30 GHEDRO CCOC(=O)c1sc(C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)nc1C ZINC000879679495 895225155 /nfs/dbraw/zinc/22/51/55/895225155.db2.gz OEFYZYBODCCEJW-UHFFFAOYSA-N 1 0 399.516 3.910 20 30 GHEDRO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2Br)no1 ZINC000879683411 895232131 /nfs/dbraw/zinc/23/21/31/895232131.db2.gz UBMDXNIWMAMICG-MQVJKMGUSA-N 1 0 387.281 3.923 20 30 GHEDRO C=CCN(CCOC)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000564940054 895315521 /nfs/dbraw/zinc/31/55/21/895315521.db2.gz PJZUHKGPGBLNMD-UHFFFAOYSA-N 1 0 377.554 3.931 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000023604089 895396516 /nfs/dbraw/zinc/39/65/16/895396516.db2.gz QBNMXJJUNXIOHW-UHFFFAOYSA-O 1 0 378.521 3.956 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000880026152 895461929 /nfs/dbraw/zinc/46/19/29/895461929.db2.gz FXTNRPSJFWITQL-IAGOWNOFSA-N 1 0 397.441 3.736 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000880026149 895462111 /nfs/dbraw/zinc/46/21/11/895462111.db2.gz FXTNRPSJFWITQL-DLBZAZTESA-N 1 0 397.441 3.736 20 30 GHEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000817276953 895463783 /nfs/dbraw/zinc/46/37/83/895463783.db2.gz VLVQVKODQNTMKJ-HSZRJFAPSA-N 1 0 390.462 3.656 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c(C(F)(F)F)c1 ZINC000565276365 895496968 /nfs/dbraw/zinc/49/69/68/895496968.db2.gz OIGPXWDWKMTFRT-UHFFFAOYSA-N 1 0 377.366 3.564 20 30 GHEDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000565513033 895689600 /nfs/dbraw/zinc/68/96/00/895689600.db2.gz YZNKQZPYCCGKOB-LJQANCHMSA-N 1 0 376.378 3.798 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCCOC1 ZINC000880467398 895721312 /nfs/dbraw/zinc/72/13/12/895721312.db2.gz ZUCXYUUXKYCQHR-APWZRJJASA-N 1 0 377.916 3.690 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)c1 ZINC000817919881 895960702 /nfs/dbraw/zinc/96/07/02/895960702.db2.gz WDFGLXLRDDJCIJ-UEVCKROQSA-N 1 0 379.504 3.959 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)CC2 ZINC000565977283 896022294 /nfs/dbraw/zinc/02/22/94/896022294.db2.gz ISJISKVZEGMTLJ-KXBFYZLASA-N 1 0 390.405 3.885 20 30 GHEDRO CCc1ccc(Br)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000880957624 896026426 /nfs/dbraw/zinc/02/64/26/896026426.db2.gz FFZDJSGLDRMJJJ-UHFFFAOYSA-N 1 0 381.318 3.711 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]C[C@H](OCC3CC3)c3ccc(Cl)cc3)cnc12 ZINC000566068869 896088976 /nfs/dbraw/zinc/08/89/76/896088976.db2.gz HZXGMZNGOHDQLD-IBGZPJMESA-N 1 0 381.867 3.512 20 30 GHEDRO CN(C)c1ccc(NC(=O)CC[NH2+]CC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000818946519 896288745 /nfs/dbraw/zinc/28/87/45/896288745.db2.gz QDDUITQKSRVYGC-UHFFFAOYSA-N 1 0 389.421 3.741 20 30 GHEDRO CNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000128961784 896313735 /nfs/dbraw/zinc/31/37/35/896313735.db2.gz NRRFYOHYOUEPKK-UHFFFAOYSA-O 1 0 383.537 3.798 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CCCC[NH+](C)C)s1 ZINC000819300536 896540428 /nfs/dbraw/zinc/54/04/28/896540428.db2.gz OROVIZCMZKNLER-UHFFFAOYSA-N 1 0 375.991 3.639 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000819309373 896552424 /nfs/dbraw/zinc/55/24/24/896552424.db2.gz QFCQAIRVSCQZKJ-TZMCWYRMSA-N 1 0 388.002 3.780 20 30 GHEDRO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@@H](C#N)CCC#N)C2CC3CC(C2)CC1C3 ZINC000819359304 896602210 /nfs/dbraw/zinc/60/22/10/896602210.db2.gz DQNGWUCBAIIBJZ-DUEJHXMNSA-N 1 0 386.540 3.739 20 30 GHEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566858058 896639026 /nfs/dbraw/zinc/63/90/26/896639026.db2.gz JUAYGGZHGLSGQT-UHFFFAOYSA-N 1 0 394.353 3.827 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)n2c1 ZINC000567026763 896810405 /nfs/dbraw/zinc/81/04/05/896810405.db2.gz RQJWQOPERIILMB-QGZVFWFLSA-N 1 0 375.259 3.726 20 30 GHEDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccs1 ZINC000289271001 914120651 /nfs/dbraw/zinc/12/06/51/914120651.db2.gz FCQOMOSWCLYKIW-KRWDZBQOSA-N 1 0 377.897 3.561 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)sc2c1CCCC2 ZINC000567219469 896980959 /nfs/dbraw/zinc/98/09/59/896980959.db2.gz DJXDYOUWUXZAMI-LPHOPBHVSA-N 1 0 395.528 3.635 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882947774 897138235 /nfs/dbraw/zinc/13/82/35/897138235.db2.gz PYLXYCDTWGJOOF-UHFFFAOYSA-N 1 0 393.535 3.971 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000796283142 914133869 /nfs/dbraw/zinc/13/38/69/914133869.db2.gz PRDGTXGXJHOMHU-DWLFOUALSA-N 1 0 384.483 3.688 20 30 GHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000567523027 897221978 /nfs/dbraw/zinc/22/19/78/897221978.db2.gz IJOXHVUYVGQJPB-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO O=C(c1ccc2c(c1)CCCC2)C(C(=S)NCc1ccon1)[n+]1ccccc1 ZINC000131101904 897321640 /nfs/dbraw/zinc/32/16/40/897321640.db2.gz LFQCJKOQQPCZBG-UHFFFAOYSA-O 1 0 392.504 3.570 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)cc1 ZINC000820492895 897358901 /nfs/dbraw/zinc/35/89/01/897358901.db2.gz KRWNXJKKDZGXNL-UHFFFAOYSA-N 1 0 378.432 3.656 20 30 GHEDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000805749566 897362668 /nfs/dbraw/zinc/36/26/68/897362668.db2.gz NYYVXHOTGORYHW-YWMUFLPLSA-N 1 0 383.455 3.702 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000567736612 897369452 /nfs/dbraw/zinc/36/94/52/897369452.db2.gz XQEMDCRIUSHXOF-SFHVURJKSA-N 1 0 391.519 3.925 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc(Cl)cc1 ZINC000820564970 897398216 /nfs/dbraw/zinc/39/82/16/897398216.db2.gz HQQGAQAQXQYZFA-GOSISDBHSA-N 1 0 375.925 3.849 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1F ZINC000820744553 897528820 /nfs/dbraw/zinc/52/88/20/897528820.db2.gz IKCQLWPVEQFUAQ-DNVCBOLYSA-N 1 0 377.891 3.527 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883541048 897677732 /nfs/dbraw/zinc/67/77/32/897677732.db2.gz VISNLPRTVVQPKQ-LBPRGKRZSA-N 1 0 387.534 3.586 20 30 GHEDRO C=CCCC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000883630844 897774799 /nfs/dbraw/zinc/77/47/99/897774799.db2.gz FFHSDXWXAQWKPB-PWRODBHTSA-N 1 0 377.488 3.654 20 30 GHEDRO CC(C)N(C)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cn1 ZINC000568564860 897939433 /nfs/dbraw/zinc/93/94/33/897939433.db2.gz DMMIBJYMECMKQS-UHFFFAOYSA-N 1 0 382.483 3.980 20 30 GHEDRO N#CCc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000101741247 897959175 /nfs/dbraw/zinc/95/91/75/897959175.db2.gz LOPXJKLMYBEYJI-UHFFFAOYSA-N 1 0 376.504 3.925 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000568734028 898071053 /nfs/dbraw/zinc/07/10/53/898071053.db2.gz VCIADISYIOSLDP-SIKLNZKXSA-N 1 0 390.487 3.661 20 30 GHEDRO C=CCNC(=O)N1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001202566024 898120207 /nfs/dbraw/zinc/12/02/07/898120207.db2.gz FMWRQWGLBPHHER-UHFFFAOYSA-N 1 0 393.531 3.696 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000821861678 898124475 /nfs/dbraw/zinc/12/44/75/898124475.db2.gz ZQKAWDSHINBVDQ-LJQANCHMSA-N 1 0 396.466 3.509 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000568903943 898203256 /nfs/dbraw/zinc/20/32/56/898203256.db2.gz TXAKTKWREFWFCI-HXUWFJFHSA-N 1 0 395.551 3.806 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000822491145 898375270 /nfs/dbraw/zinc/37/52/70/898375270.db2.gz MQSMKHJBQFBYTP-UHFFFAOYSA-N 1 0 376.500 3.526 20 30 GHEDRO Cc1cc(C)c(-c2csc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)c(C)c1 ZINC000884049666 898653587 /nfs/dbraw/zinc/65/35/87/898653587.db2.gz ZTYFBBKZJBQHKW-ZGOJQLDESA-N 1 0 380.517 3.813 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1c[nH]c3ccccc31)c1ccccc1)C2 ZINC000884051472 898665010 /nfs/dbraw/zinc/66/50/10/898665010.db2.gz HYJNPNXGVAMWCV-FWDQCLROSA-N 1 0 398.510 3.555 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000569452066 898677660 /nfs/dbraw/zinc/67/76/60/898677660.db2.gz QPWCHVXHVPPRAP-AUSIDOKSSA-N 1 0 390.531 3.947 20 30 GHEDRO CC[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)Oc1ccccc1C(F)(F)F ZINC000569456537 898682540 /nfs/dbraw/zinc/68/25/40/898682540.db2.gz JJTPIEXXWIABCR-OAHLLOKOSA-N 1 0 389.381 3.567 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000884058786 898712666 /nfs/dbraw/zinc/71/26/66/898712666.db2.gz VDSWEGKRIMVEDT-UHFFFAOYSA-N 1 0 385.552 3.531 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(O)cc(Br)c1)C(C)C ZINC001136649915 898755931 /nfs/dbraw/zinc/75/59/31/898755931.db2.gz JGPYIFWUBHEYKM-KRWDZBQOSA-N 1 0 381.314 3.583 20 30 GHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC[C@H]21 ZINC000289669198 914287956 /nfs/dbraw/zinc/28/79/56/914287956.db2.gz DYTASDSTJZRFEI-IIBYNOLFSA-N 1 0 391.475 3.694 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1)C2 ZINC000884094283 898853787 /nfs/dbraw/zinc/85/37/87/898853787.db2.gz GYNPQVPNSFNKMH-KGAQGRRNSA-N 1 0 385.920 3.746 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000331421911 898878023 /nfs/dbraw/zinc/87/80/23/898878023.db2.gz LSLJJBRXSMZJIO-CWJKEVGVSA-N 1 0 383.536 3.658 20 30 GHEDRO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884124171 898979740 /nfs/dbraw/zinc/97/97/40/898979740.db2.gz PKIUWTQDABEYBT-OTQYULQBSA-N 1 0 393.462 3.791 20 30 GHEDRO COCCOc1ccccc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000569855689 898987168 /nfs/dbraw/zinc/98/71/68/898987168.db2.gz CLQLFIDACUIMNH-UHFFFAOYSA-N 1 0 384.451 3.766 20 30 GHEDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000113938039 899045543 /nfs/dbraw/zinc/04/55/43/899045543.db2.gz GUMMKLVIGFKSQN-HNNXBMFYSA-N 1 0 375.538 3.576 20 30 GHEDRO CCN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000884145698 899077465 /nfs/dbraw/zinc/07/74/65/899077465.db2.gz QFOPXWOQYOSFCK-OHNPGISMSA-N 1 0 379.426 3.754 20 30 GHEDRO Cc1ccc(SC2(CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CCCC2)cc1 ZINC000884170585 899179120 /nfs/dbraw/zinc/17/91/20/899179120.db2.gz AAYXDUGOHUOCSX-IDYZSHNDSA-N 1 0 383.561 3.656 20 30 GHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289740507 914323724 /nfs/dbraw/zinc/32/37/24/914323724.db2.gz IVTNAJPOCYIKPK-IIBYNOLFSA-N 1 0 391.475 3.836 20 30 GHEDRO N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171030575 899238613 /nfs/dbraw/zinc/23/86/13/899238613.db2.gz OIQSRYYIHNCCLC-LJQANCHMSA-N 1 0 393.918 3.963 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000570296217 899248487 /nfs/dbraw/zinc/24/84/87/899248487.db2.gz LJAMZPHBOWWXDK-AJSBUHFISA-N 1 0 397.563 3.812 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000823801625 899267953 /nfs/dbraw/zinc/26/79/53/899267953.db2.gz LDJCDOCIPZGXGG-LEWJYISDSA-N 1 0 398.551 3.705 20 30 GHEDRO N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000824161366 899435795 /nfs/dbraw/zinc/43/57/95/899435795.db2.gz USJXZBHPHHTQPF-FXAWDEMLSA-N 1 0 397.523 3.705 20 30 GHEDRO COc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc(OC)c1OCC(F)F ZINC000289800279 914355230 /nfs/dbraw/zinc/35/52/30/914355230.db2.gz RHTQMHSHOYYMGF-UHFFFAOYSA-N 1 0 388.414 3.998 20 30 GHEDRO COCCOc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000570729954 899539530 /nfs/dbraw/zinc/53/95/30/899539530.db2.gz PYCXQALQLMTFGJ-UHFFFAOYSA-N 1 0 384.451 3.766 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCCCCN1C(=O)c2ccccc2C1=O ZINC000824327422 899558611 /nfs/dbraw/zinc/55/86/11/899558611.db2.gz YPQWVUOSZKXFMF-UEXGIBASSA-N 1 0 384.520 3.802 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000570836691 899628751 /nfs/dbraw/zinc/62/87/51/899628751.db2.gz JPELRRLXLRSNAL-UNMCSNQZSA-N 1 0 392.499 3.702 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)c1C#N ZINC000570857061 899643304 /nfs/dbraw/zinc/64/33/04/899643304.db2.gz BRSDFNTXMZGQQU-DNVCBOLYSA-N 1 0 386.540 3.513 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1=CC[N@H+](C)CC1 ZINC000289837003 914373873 /nfs/dbraw/zinc/37/38/73/914373873.db2.gz OODNFSPFXXKNEL-OAHLLOKOSA-N 1 0 377.448 3.517 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000120106511 899746921 /nfs/dbraw/zinc/74/69/21/899746921.db2.gz DQAUSWPSFVSHJZ-LJQANCHMSA-N 1 0 382.533 3.673 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000571126728 899752486 /nfs/dbraw/zinc/75/24/86/899752486.db2.gz CAHSHNQWZLZJEG-UHFFFAOYSA-N 1 0 397.567 3.916 20 30 GHEDRO C[C@@H](CC#N)N(C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000120333630 899792432 /nfs/dbraw/zinc/79/24/32/899792432.db2.gz OLXNCAKGEPPAGK-KRWDZBQOSA-N 1 0 385.512 3.657 20 30 GHEDRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000120571810 899844869 /nfs/dbraw/zinc/84/48/69/899844869.db2.gz SGTJIHNKQGKVJD-QHCPKHFHSA-N 1 0 386.499 3.904 20 30 GHEDRO COc1c(F)cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)c1F ZINC000824948622 899902105 /nfs/dbraw/zinc/90/21/05/899902105.db2.gz SBXNGSVPCSENFL-UHFFFAOYSA-N 1 0 387.430 3.930 20 30 GHEDRO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000571798376 899974908 /nfs/dbraw/zinc/97/49/08/899974908.db2.gz WYLJWAHMDLDPGS-MOPGFXCFSA-N 1 0 393.531 3.835 20 30 GHEDRO COc1cccc(C#CCOC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000805886644 900034726 /nfs/dbraw/zinc/03/47/26/900034726.db2.gz DVYXYIFHOUYZOK-UHFFFAOYSA-N 1 0 377.484 3.892 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000825225915 900034977 /nfs/dbraw/zinc/03/49/77/900034977.db2.gz BHIVFXQNJNXKML-NJDAHSKKSA-N 1 0 384.520 3.562 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000825257044 900054426 /nfs/dbraw/zinc/05/44/26/900054426.db2.gz RPSJOQBZTJGTBH-RTBURBONSA-N 1 0 386.540 3.819 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC)c(C(F)(F)F)c3)C2)C1=O ZINC001143639114 900263646 /nfs/dbraw/zinc/26/36/46/900263646.db2.gz PDUHUTWHAHJNRV-LJQANCHMSA-N 1 0 382.426 3.715 20 30 GHEDRO C[C@@H](C(=O)NCCc1cccc(C#N)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000573151628 900397893 /nfs/dbraw/zinc/39/78/93/900397893.db2.gz MAZNGRGVHGUTPI-IBGZPJMESA-N 1 0 375.516 3.560 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157392058 900497222 /nfs/dbraw/zinc/49/72/22/900497222.db2.gz HLMMBZHXEBDSNX-HSZRJFAPSA-N 1 0 376.504 3.754 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844318779 900726777 /nfs/dbraw/zinc/72/67/77/900726777.db2.gz TYWYLLITSZSRBM-DOTOQJQBSA-N 1 0 388.468 3.640 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCc1cccc(C#N)c1 ZINC000573997429 900731963 /nfs/dbraw/zinc/73/19/63/900731963.db2.gz ILVGSXYPCZHUCL-OALUTQOASA-N 1 0 390.531 3.557 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)CCC1 ZINC000886175159 900861602 /nfs/dbraw/zinc/86/16/02/900861602.db2.gz SCPIVVQORXMFAC-QGZVFWFLSA-N 1 0 382.426 3.746 20 30 GHEDRO Cc1cc(Cl)ncc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844562078 901001285 /nfs/dbraw/zinc/00/12/85/901001285.db2.gz QOHKQGPVGPXZAX-UHFFFAOYSA-N 1 0 383.883 3.701 20 30 GHEDRO N#Cc1cncc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)c1 ZINC001144074706 901039084 /nfs/dbraw/zinc/03/90/84/901039084.db2.gz AVZQLZSLBSIHJG-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000844611528 901108473 /nfs/dbraw/zinc/10/84/73/901108473.db2.gz JQMAHIURSNDKKJ-JTSKRJEESA-N 1 0 378.476 3.764 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC2(c3cccc(F)c3)CCCCC2)cc1 ZINC000575147311 901136689 /nfs/dbraw/zinc/13/66/89/901136689.db2.gz SOVMNDIGRDYIEV-OAQYLSRUSA-N 1 0 382.479 3.929 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000575341898 901202309 /nfs/dbraw/zinc/20/23/09/901202309.db2.gz JWOONACCCNERMO-HNNXBMFYSA-N 1 0 388.899 3.586 20 30 GHEDRO C=CCCC[C@H](COc1ccccc1)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000886649738 901208225 /nfs/dbraw/zinc/20/82/25/901208225.db2.gz HLRCSAZWSDXSRC-SMOPAVHSSA-N 1 0 377.550 3.736 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000844758677 901240037 /nfs/dbraw/zinc/24/00/37/901240037.db2.gz KEGJAEHOYSYFMT-HNNXBMFYSA-N 1 0 375.451 3.884 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1)C(C)C ZINC001144204016 901281708 /nfs/dbraw/zinc/28/17/08/901281708.db2.gz HNAHAAPSEKFDQE-AUSIDOKSSA-N 1 0 390.568 3.869 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(Br)c(C)c1N)C(C)C ZINC001144203921 901282033 /nfs/dbraw/zinc/28/20/33/901282033.db2.gz HEHAXXVNNRXTQC-KRWDZBQOSA-N 1 0 394.357 3.768 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2cc(C#N)c3ccccc3n2)[C@H](C(F)(F)F)C1 ZINC000575890676 901436086 /nfs/dbraw/zinc/43/60/86/901436086.db2.gz IRJSJLBYQQCPSV-HUUCEWRRSA-N 1 0 390.409 3.954 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Cl)ncc3Cl)CC2)c1 ZINC000845002768 901633644 /nfs/dbraw/zinc/63/36/44/901633644.db2.gz MNYHBAUZVDKEGE-UHFFFAOYSA-N 1 0 389.286 3.654 20 30 GHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000122008661 901714845 /nfs/dbraw/zinc/71/48/45/901714845.db2.gz OZDYZERSZZGGBQ-UHFFFAOYSA-N 1 0 395.528 3.627 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000122776459 901845826 /nfs/dbraw/zinc/84/58/26/901845826.db2.gz SGNFWRWQEJKFJE-UWJYYQICSA-N 1 0 377.488 3.692 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000124544336 902082116 /nfs/dbraw/zinc/08/21/16/902082116.db2.gz GGLVIYAOPQMDEH-UWJYYQICSA-N 1 0 377.488 3.692 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000290250648 914596451 /nfs/dbraw/zinc/59/64/51/914596451.db2.gz CUYJSUXIXIPTSG-UHFFFAOYSA-N 1 0 379.479 3.519 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]CC(C)(C)CC#N)o2)C1 ZINC001202760452 902252242 /nfs/dbraw/zinc/25/22/42/902252242.db2.gz RYWDAFNRJPFUSN-INIZCTEOSA-N 1 0 375.513 3.867 20 30 GHEDRO Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)Nc3ccc(C#N)cc3)C2)s1 ZINC000576788919 902263597 /nfs/dbraw/zinc/26/35/97/902263597.db2.gz CCOQYSWXLOPNCI-IBGZPJMESA-N 1 0 396.560 3.711 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000576796848 902269992 /nfs/dbraw/zinc/26/99/92/902269992.db2.gz HRZPZKPYBVWNGB-BDTNDASRSA-N 1 0 385.552 3.569 20 30 GHEDRO CNC(=O)c1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000047700262 902298203 /nfs/dbraw/zinc/29/82/03/902298203.db2.gz RYEFMCMVSOBYEU-UHFFFAOYSA-N 1 0 385.467 3.787 20 30 GHEDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000845774651 902379182 /nfs/dbraw/zinc/37/91/82/902379182.db2.gz WYORTEVXVRCQTE-UHFFFAOYSA-N 1 0 384.411 3.691 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)cc1 ZINC001144569582 902401113 /nfs/dbraw/zinc/40/11/13/902401113.db2.gz UOBHAQMATLINSR-BJKOFHAPSA-N 1 0 376.500 3.651 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)cc1 ZINC001144572252 902404045 /nfs/dbraw/zinc/40/40/45/902404045.db2.gz VQWNTIFJORPSER-JWQCQUIFSA-N 1 0 390.527 3.959 20 30 GHEDRO C[C@@H]1[C@H](COC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC[N@@H+]1C ZINC000845821669 902426151 /nfs/dbraw/zinc/42/61/51/902426151.db2.gz QDCWIQVLGUERKK-CVEARBPZSA-N 1 0 389.927 3.702 20 30 GHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000577159684 902550899 /nfs/dbraw/zinc/55/08/99/902550899.db2.gz NMTURNGCIFNWFN-LIRRHRJNSA-N 1 0 391.500 3.570 20 30 GHEDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000263807986 902556122 /nfs/dbraw/zinc/55/61/22/902556122.db2.gz QAGQRQCCRRPHEP-KRWDZBQOSA-N 1 0 383.492 3.971 20 30 GHEDRO Cc1cc(NC(=O)Cc2cccc(OCC#N)c2)ccc1OCC[NH+]1CCCC1 ZINC000128113155 902608895 /nfs/dbraw/zinc/60/88/95/902608895.db2.gz KXNRCCKGTWUQTC-UHFFFAOYSA-N 1 0 393.487 3.553 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC(F)F)C(=S)NC2CC2)cc1 ZINC000263914676 902678771 /nfs/dbraw/zinc/67/87/71/902678771.db2.gz OMIOQXGJMLQVSR-UHFFFAOYSA-O 1 0 391.463 3.829 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000846108339 902685653 /nfs/dbraw/zinc/68/56/53/902685653.db2.gz ZTDPSIQHWMWJJA-UHFFFAOYSA-N 1 0 387.531 3.662 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001171215782 902751773 /nfs/dbraw/zinc/75/17/73/902751773.db2.gz DPCGVWJOHLSLFS-UTKZUKDTSA-N 1 0 397.473 3.517 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001171218023 902775407 /nfs/dbraw/zinc/77/54/07/902775407.db2.gz SVOKNXKXQLHJKL-BVZFJXPGSA-N 1 0 385.511 3.890 20 30 GHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600729323 902851755 /nfs/dbraw/zinc/85/17/55/902851755.db2.gz XQDYKKMHVMIHOV-RDTXWAMCSA-N 1 0 378.394 3.538 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048090924 902854086 /nfs/dbraw/zinc/85/40/86/902854086.db2.gz FGGCJCPCIOTCDE-GOSISDBHSA-N 1 0 385.558 3.806 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Sc3cccc(OC)c3)cn2)CC1 ZINC000846419892 902967842 /nfs/dbraw/zinc/96/78/42/902967842.db2.gz DQMJETIZEWXDMS-UHFFFAOYSA-N 1 0 381.501 3.525 20 30 GHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264305320 903009095 /nfs/dbraw/zinc/00/90/95/903009095.db2.gz SBJKWTWWASJKAU-UHFFFAOYSA-N 1 0 389.499 3.600 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000264355290 903041365 /nfs/dbraw/zinc/04/13/65/903041365.db2.gz DUUIBLBILXYOLD-AWEZNQCLSA-N 1 0 391.466 3.832 20 30 GHEDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230167 903044159 /nfs/dbraw/zinc/04/41/59/903044159.db2.gz BGFWVCZCPZEWMR-MBSDFSHPSA-N 1 0 391.515 3.782 20 30 GHEDRO C=CCn1c(SCCCN2CC[NH+](C)CC2)nnc1-c1cccc(Cl)c1 ZINC000131040274 903051903 /nfs/dbraw/zinc/05/19/03/903051903.db2.gz NYERXMCVDFVZMO-UHFFFAOYSA-N 1 0 391.972 3.514 20 30 GHEDRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000131193064 903068145 /nfs/dbraw/zinc/06/81/45/903068145.db2.gz WTXQEYUHZBTHQT-IBGZPJMESA-N 1 0 377.536 3.747 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(C)c1 ZINC000131246110 903073454 /nfs/dbraw/zinc/07/34/54/903073454.db2.gz IDAPSUKYBTZCDU-UHFFFAOYSA-O 1 0 385.578 3.663 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264438355 903093901 /nfs/dbraw/zinc/09/39/01/903093901.db2.gz RYWXAJVCEBPATF-UHFFFAOYSA-N 1 0 397.972 3.744 20 30 GHEDRO COc1cccc(C[C@@H]([NH3+])C(=O)Nc2cc(-c3ccc(F)cc3)sc2C#N)c1 ZINC001144932480 903180359 /nfs/dbraw/zinc/18/03/59/903180359.db2.gz BURRETDHIMAAPU-QGZVFWFLSA-N 1 0 395.459 3.943 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)CC1 ZINC000601005170 903218090 /nfs/dbraw/zinc/21/80/90/903218090.db2.gz MBKIWQZAILATLO-QHCPKHFHSA-N 1 0 375.516 3.557 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3c2CCS3)CC[NH+](Cc2ccccc2)CC1 ZINC001171275278 903482117 /nfs/dbraw/zinc/48/21/17/903482117.db2.gz RKGGTCONQCPVED-UHFFFAOYSA-N 1 0 385.924 3.748 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccc(C#N)cc3F)cc[nH+]2)CC1 ZINC001212837164 903500116 /nfs/dbraw/zinc/50/01/16/903500116.db2.gz XTNFWKVQYAOOBE-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO N#CC1(Nc2ccc(F)c(C3OCCO3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171277162 903526506 /nfs/dbraw/zinc/52/65/06/903526506.db2.gz LROQJKOMJZGKIG-UHFFFAOYSA-N 1 0 381.451 3.841 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001146420590 903534402 /nfs/dbraw/zinc/53/44/02/903534402.db2.gz FXBGCUUZXXSBHY-GBESFXJTSA-N 1 0 393.572 3.569 20 30 GHEDRO COC(=O)[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000578379372 903783872 /nfs/dbraw/zinc/78/38/72/903783872.db2.gz LJEHJGCUJNPDOU-FYYLOGMGSA-N 1 0 391.515 3.664 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000772982944 903857818 /nfs/dbraw/zinc/85/78/18/903857818.db2.gz GHKXBWQJDISWFP-BPUDTRNYSA-N 1 0 393.531 3.747 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171332805 904100982 /nfs/dbraw/zinc/10/09/82/904100982.db2.gz ISIGYNJEWKACQG-GJZGRUSLSA-N 1 0 378.900 3.583 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1scc(C)c1C#N ZINC000578879396 904204010 /nfs/dbraw/zinc/20/40/10/904204010.db2.gz TVTGFPLHHMGTSD-KRWDZBQOSA-N 1 0 383.521 3.842 20 30 GHEDRO Cc1ccc(C)c(NC(=O)[C@H](C)O/[NH+]=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000153612120 904382094 /nfs/dbraw/zinc/38/20/94/904382094.db2.gz DTSZVZITVVGPHT-FSTGKYBXSA-N 1 0 381.476 3.518 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483042 904727392 /nfs/dbraw/zinc/72/73/92/904727392.db2.gz QYNRRJBOMOJNTL-VLCRHTCISA-N 1 0 377.475 3.896 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1C[C@@H](C)N(Cc3ccccc3)C1)C2 ZINC001171748696 904975414 /nfs/dbraw/zinc/97/54/14/904975414.db2.gz GMSLPTYPFXNWJX-MSNJVRRCSA-N 1 0 384.564 3.723 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1=O ZINC001171816054 905074658 /nfs/dbraw/zinc/07/46/58/905074658.db2.gz BQGDBXVNMQWNOF-RDGPPVDQSA-N 1 0 393.572 3.710 20 30 GHEDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000076404077 905124994 /nfs/dbraw/zinc/12/49/94/905124994.db2.gz FMMDSKSZMWQAMP-HUUCEWRRSA-N 1 0 375.538 3.574 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C#N)ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000189537167 905146287 /nfs/dbraw/zinc/14/62/87/905146287.db2.gz GVKAGQFTSPIVSC-RBBKRZOGSA-N 1 0 390.487 3.975 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)CC2 ZINC001171927610 905182973 /nfs/dbraw/zinc/18/29/73/905182973.db2.gz SEDBIROIPBALBS-XWEVFREBSA-N 1 0 390.568 3.920 20 30 GHEDRO CCN1CC[C@H]([N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CC1=O ZINC001172048033 905268559 /nfs/dbraw/zinc/26/85/59/905268559.db2.gz LXTDDXVIVCWEDU-PKTZIBPZSA-N 1 0 387.527 3.829 20 30 GHEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172098986 905319790 /nfs/dbraw/zinc/31/97/90/905319790.db2.gz TZMUWXZJAUUUEZ-HZMVEIRTSA-N 1 0 378.538 3.581 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000627016744 905367145 /nfs/dbraw/zinc/36/71/45/905367145.db2.gz PGTVARGIHVSPQQ-WWGRRREGSA-N 1 0 391.384 3.751 20 30 GHEDRO CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172303113 905457556 /nfs/dbraw/zinc/45/75/56/905457556.db2.gz ARLYUJUPRZXSHI-MRXNPFEDSA-N 1 0 396.560 3.529 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)n1ccc2c1ncnc2N(C)[C@H]1C[NH2+]CC[C@H]1C ZINC001172311113 905468922 /nfs/dbraw/zinc/46/89/22/905468922.db2.gz PAOLIVHNXALDHI-LZJOCLMNSA-N 1 0 388.519 3.541 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001172320179 905473029 /nfs/dbraw/zinc/47/30/29/905473029.db2.gz UBTJAYBQOHJRPP-VGSWGCGISA-N 1 0 375.516 3.831 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000777290150 905485717 /nfs/dbraw/zinc/48/57/17/905485717.db2.gz JCTYWBOCAUXMET-UHFFFAOYSA-N 1 0 381.907 3.683 20 30 GHEDRO CCCCCCC[C@H](CC)N1Cc2nccn2C[C@H](C[NH+]2CCN(C)CC2)C1 ZINC001172355314 905523940 /nfs/dbraw/zinc/52/39/40/905523940.db2.gz NUMSPFQCOOBPNG-VXKWHMMOSA-N 1 0 389.632 3.701 20 30 GHEDRO CCCCCCC[C@@H](CC)n1nncc1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001172355639 905527006 /nfs/dbraw/zinc/52/70/06/905527006.db2.gz PLTDKXWTIWAIFA-IRLDBZIGSA-N 1 0 391.604 3.792 20 30 GHEDRO C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190107939 905543326 /nfs/dbraw/zinc/54/33/26/905543326.db2.gz PCGVUFKCPGPWED-RDJZCZTQSA-N 1 0 378.438 3.826 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]CC[C@@H]1CCOC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172481228 905557915 /nfs/dbraw/zinc/55/79/15/905557915.db2.gz RBOIRMPWIPCDTI-ZWKOTPCHSA-N 1 0 379.545 3.855 20 30 GHEDRO CCOC(=O)C[C@@H]([NH2+][C@H](C)CCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172483083 905558107 /nfs/dbraw/zinc/55/81/07/905558107.db2.gz NDLBTLSLZHWZDE-SJLPKXTDSA-N 1 0 395.544 3.627 20 30 GHEDRO C[C@H](CCCC#N)[NH2+]Cc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172485540 905559622 /nfs/dbraw/zinc/55/96/22/905559622.db2.gz RCFOMHQQYDWGTJ-GOSISDBHSA-N 1 0 386.540 3.916 20 30 GHEDRO C[C@@H](CCCC#N)[NH+]1CCC(c2cc3c(ncn3C)c(N3CCCC3)n2)CC1 ZINC001172495179 905598846 /nfs/dbraw/zinc/59/88/46/905598846.db2.gz NVYLSOMNBZNYNX-KRWDZBQOSA-N 1 0 380.540 3.830 20 30 GHEDRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000175864291 905687624 /nfs/dbraw/zinc/68/76/24/905687624.db2.gz LPGKQPPEELHMRN-QSAFDGGLSA-N 1 0 378.538 3.547 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C2)C1=O ZINC001172634318 905696011 /nfs/dbraw/zinc/69/60/11/905696011.db2.gz GNQNOUQPZYPKMO-QRVBRYPASA-N 1 0 393.572 3.711 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172681381 905762204 /nfs/dbraw/zinc/76/22/04/905762204.db2.gz LCODRSMSIJJURT-YADHBBJMSA-N 1 0 389.499 3.593 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000176273913 905804403 /nfs/dbraw/zinc/80/44/03/905804403.db2.gz OLSNEWUZIVGKAR-ZWKOTPCHSA-N 1 0 388.581 3.683 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000176314439 905816645 /nfs/dbraw/zinc/81/66/45/905816645.db2.gz KBZGVGZCFPYSCO-UHFFFAOYSA-N 1 0 384.524 3.521 20 30 GHEDRO Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)CC2 ZINC001172829892 905859724 /nfs/dbraw/zinc/85/97/24/905859724.db2.gz ACAAKEUAURKAHM-RCZVLFRGSA-N 1 0 385.511 3.853 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@@H](C)Cc1c(F)cccc1Cl)CC2 ZINC001172851517 905905695 /nfs/dbraw/zinc/90/56/95/905905695.db2.gz RBHGXNZIXLCBHA-AWEZNQCLSA-N 1 0 377.891 3.905 20 30 GHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1OC ZINC000628135845 905979786 /nfs/dbraw/zinc/97/97/86/905979786.db2.gz KBRVXHWRJBFMDZ-QGZVFWFLSA-N 1 0 392.927 3.652 20 30 GHEDRO COc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967581 906028360 /nfs/dbraw/zinc/02/83/60/906028360.db2.gz YMJHUOSRRUQETQ-SJORKVTESA-N 1 0 398.507 3.615 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C[C@H]1C#N ZINC001172968032 906029691 /nfs/dbraw/zinc/02/96/91/906029691.db2.gz HCFVKHUNNYYUME-FGTMMUONSA-N 1 0 393.915 3.645 20 30 GHEDRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000177083369 906033333 /nfs/dbraw/zinc/03/33/33/906033333.db2.gz CRELSTDDGGVAHO-UHFFFAOYSA-N 1 0 387.299 3.553 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCSCc2ccc(F)cc2)C[C@H]1C#N ZINC001172971445 906033714 /nfs/dbraw/zinc/03/37/14/906033714.db2.gz PRFJXXKBRUFPFT-ROUUACIJSA-N 1 0 393.528 3.940 20 30 GHEDRO COc1ccc(C2([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CCC2)cc1 ZINC001172975043 906038566 /nfs/dbraw/zinc/03/85/66/906038566.db2.gz VXXNMVBQJOXEDJ-MSOLQXFVSA-N 1 0 385.508 3.956 20 30 GHEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172977655 906044096 /nfs/dbraw/zinc/04/40/96/906044096.db2.gz DLJLOONSMVIXBD-JVPBZIDWSA-N 1 0 386.496 3.587 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H](CO)c2cccc3ccccc32)C[C@H]1C#N ZINC001172978010 906044416 /nfs/dbraw/zinc/04/44/16/906044416.db2.gz HNVRILVFQNUDJL-LVCYWYKZSA-N 1 0 395.503 3.754 20 30 GHEDRO COc1cccc2c1c(C[NH3+])cn2[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981870 906047399 /nfs/dbraw/zinc/04/73/99/906047399.db2.gz PCWROKQBFBFEAC-HOTGVXAUSA-N 1 0 384.480 3.573 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C[C@H]1C#N ZINC001172981218 906048206 /nfs/dbraw/zinc/04/82/06/906048206.db2.gz KPDIGNZTDNNNRN-CVEARBPZSA-N 1 0 381.879 3.903 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H](Oc3ccccc3)C2)C[C@H]1C#N ZINC001172984534 906049139 /nfs/dbraw/zinc/04/91/39/906049139.db2.gz LXWPHVGGVRFQCM-BJLQDIEVSA-N 1 0 385.508 3.821 20 30 GHEDRO C[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989588 906054019 /nfs/dbraw/zinc/05/40/19/906054019.db2.gz IFGRRIGIMJIAAJ-UXHICEINSA-N 1 0 395.507 3.596 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1F ZINC001173183757 906264309 /nfs/dbraw/zinc/26/43/09/906264309.db2.gz NJJIUNHGBLKAOV-LBPRGKRZSA-N 1 0 397.406 3.938 20 30 GHEDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1F ZINC001173183750 906264519 /nfs/dbraw/zinc/26/45/19/906264519.db2.gz NJJIUNHGBLKAOV-GFCCVEGCSA-N 1 0 397.406 3.938 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000190843462 906347130 /nfs/dbraw/zinc/34/71/30/906347130.db2.gz OIEMCMNDDZHRKT-LJQANCHMSA-N 1 0 398.894 3.624 20 30 GHEDRO CCc1ccc(C[C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)cc1 ZINC001173242157 906355917 /nfs/dbraw/zinc/35/59/17/906355917.db2.gz UBTIIMIGZUJXMW-SFHVURJKSA-N 1 0 375.516 3.946 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001173311127 906364794 /nfs/dbraw/zinc/36/47/94/906364794.db2.gz FKJHVDZFGYGVJQ-MQPDGSBLSA-N 1 0 378.557 3.983 20 30 GHEDRO CCCCCCCCC[C@H](CCC)[NH2+]CCOCCOCCOCCO ZINC001173284167 906367600 /nfs/dbraw/zinc/36/76/00/906367600.db2.gz DDVFPKGQFYJJFT-NRFANRHFSA-N 1 0 375.594 3.928 20 30 GHEDRO C=CCOC1CCC([N@@H+]2Cc3c(cnn3CC)[C@H](COc3cccnc3)C2)CC1 ZINC001173325012 906373959 /nfs/dbraw/zinc/37/39/59/906373959.db2.gz XKIACRYBFZNOEH-HDYDNRTBSA-N 1 0 396.535 3.790 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CC1 ZINC001173332944 906375853 /nfs/dbraw/zinc/37/58/53/906375853.db2.gz IKKGBOPWPFJITO-AGKROXASSA-N 1 0 395.547 3.902 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001173367364 906398475 /nfs/dbraw/zinc/39/84/75/906398475.db2.gz HTUWSNSSFCQCES-BBWFWOEESA-N 1 0 392.540 3.738 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001173425684 906461289 /nfs/dbraw/zinc/46/12/89/906461289.db2.gz BREWAQWLZJDETH-DHIUTWEWSA-N 1 0 389.499 3.673 20 30 GHEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173425754 906461769 /nfs/dbraw/zinc/46/17/69/906461769.db2.gz IQYIDQYLGDDWPN-IBGZPJMESA-N 1 0 391.515 3.837 20 30 GHEDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001173425601 906461869 /nfs/dbraw/zinc/46/18/69/906461869.db2.gz ZOXKZHNYJMMXLR-YCRPNKLZSA-N 1 0 397.906 3.528 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-c4ncco4)cc3)CC2)cc1 ZINC001173428237 906465361 /nfs/dbraw/zinc/46/53/61/906465361.db2.gz HACWZSJCTACKBU-UHFFFAOYSA-N 1 0 386.455 3.608 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)CC1 ZINC001173596146 906550343 /nfs/dbraw/zinc/55/03/43/906550343.db2.gz LIERDEKBBMURRM-ITYAMSQCSA-N 1 0 387.499 3.943 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)CC1 ZINC001173596083 906550482 /nfs/dbraw/zinc/55/04/82/906550482.db2.gz IZKSCYSTZBVVSO-ZWDXQAFOSA-N 1 0 383.536 3.942 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179695745 906564169 /nfs/dbraw/zinc/56/41/69/906564169.db2.gz BXLAHLNLADENNI-GOSISDBHSA-N 1 0 392.503 3.654 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C#N)c1C ZINC000179775615 906592954 /nfs/dbraw/zinc/59/29/54/906592954.db2.gz LIZMBJFCASWODP-ZDUSSCGKSA-N 1 0 396.516 3.874 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(C(F)(F)F)c1 ZINC000180177583 906707165 /nfs/dbraw/zinc/70/71/65/906707165.db2.gz HTNAYKDVLPZWKD-OTZFSBHDSA-N 1 0 381.398 3.519 20 30 GHEDRO C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1)C1CCCC1 ZINC000779400719 906739555 /nfs/dbraw/zinc/73/95/55/906739555.db2.gz PUUABQGKKVEJBE-FGZHOGPDSA-N 1 0 381.520 3.560 20 30 GHEDRO C[C@]1(CNC(=O)Nc2cccc(OCC#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000779404305 906804796 /nfs/dbraw/zinc/80/47/96/906804796.db2.gz RIKHKOGKSCWABS-JOCHJYFZSA-N 1 0 378.476 3.765 20 30 GHEDRO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OCCCC#N ZINC000180785584 906844497 /nfs/dbraw/zinc/84/44/97/906844497.db2.gz AIKRRADRKLQLCD-TZIWHRDSSA-N 1 0 383.536 3.826 20 30 GHEDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181913881 907098910 /nfs/dbraw/zinc/09/89/10/907098910.db2.gz GDSDHWNSWFCHPW-HXOBKFHXSA-N 1 0 381.495 3.764 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c(C)c2)CC1 ZINC000182429673 907204722 /nfs/dbraw/zinc/20/47/22/907204722.db2.gz HBQMPDLGGFPIES-UHFFFAOYSA-N 1 0 388.515 3.944 20 30 GHEDRO C=CCNc1ncc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)s1 ZINC000182831202 907272778 /nfs/dbraw/zinc/27/27/78/907272778.db2.gz YCRUCILWWREHAK-UHFFFAOYSA-N 1 0 385.537 3.524 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000192019045 907363632 /nfs/dbraw/zinc/36/36/32/907363632.db2.gz IUZIVVXCEPDAEQ-PKOBYXMFSA-N 1 0 390.270 3.923 20 30 GHEDRO C#CCCOc1ccc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000183777171 907456899 /nfs/dbraw/zinc/45/68/99/907456899.db2.gz AELJJSNHQNMPKP-UHFFFAOYSA-N 1 0 379.504 3.899 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192142773 907456734 /nfs/dbraw/zinc/45/67/34/907456734.db2.gz CHTHBZSCJXCKFH-UHFFFAOYSA-N 1 0 378.245 3.802 20 30 GHEDRO Cc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c(OCC[NH+](C)C)c1 ZINC000184033491 907504512 /nfs/dbraw/zinc/50/45/12/907504512.db2.gz ZWGXUQPWIAQQOT-INIZCTEOSA-N 1 0 382.464 3.870 20 30 GHEDRO N#C[C@@H]1CCC[C@H](Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000185732842 907825525 /nfs/dbraw/zinc/82/55/25/907825525.db2.gz GAKMUPDBSYNLJP-YADHBBJMSA-N 1 0 389.547 3.941 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC001176038526 907897860 /nfs/dbraw/zinc/89/78/60/907897860.db2.gz QDORFFSYTZQLQG-CHHLAKQQSA-N 1 0 389.499 3.657 20 30 GHEDRO O=C(C[NH2+][C@H]1CCc2c1cccc2F)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001176217217 907991601 /nfs/dbraw/zinc/99/16/01/907991601.db2.gz CQDFEKLVYLLYEH-IBGZPJMESA-N 1 0 390.380 3.589 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187782320 908138085 /nfs/dbraw/zinc/13/80/85/908138085.db2.gz QMPCWBKHLPYRAB-DYESRHJHSA-N 1 0 390.430 3.570 20 30 GHEDRO CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC001176782714 908247590 /nfs/dbraw/zinc/24/75/90/908247590.db2.gz MVHUYCALGPQGRL-ROUUACIJSA-N 1 0 398.551 3.621 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(OC)c1 ZINC001176927429 908302695 /nfs/dbraw/zinc/30/26/95/908302695.db2.gz RSSJVJHEMKDYJE-CVEARBPZSA-N 1 0 399.466 3.829 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000190023643 908406595 /nfs/dbraw/zinc/40/65/95/908406595.db2.gz SXGYKGSNWHCKMB-UHFFFAOYSA-N 1 0 385.458 3.798 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCc2ccccc2C1 ZINC001177175157 908458150 /nfs/dbraw/zinc/45/81/50/908458150.db2.gz BOLRYNLBBGTBKP-UHFFFAOYSA-N 1 0 399.332 3.609 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1SC ZINC000190607729 908507008 /nfs/dbraw/zinc/50/70/08/908507008.db2.gz FQUDBZCLVKYDER-DNVCBOLYSA-N 1 0 395.528 3.740 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](C#N)Cc1cccs1 ZINC001177917742 908801356 /nfs/dbraw/zinc/80/13/56/908801356.db2.gz LZBOMXBXJJLLPC-UYAOXDASSA-N 1 0 381.545 3.847 20 30 GHEDRO COc1cccc(CN(C(=O)[C@@H](C#N)Cc2cccs2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001177916939 908801607 /nfs/dbraw/zinc/80/16/07/908801607.db2.gz APFIKHJQNKBYNS-GUDVDZBRSA-N 1 0 397.544 3.738 20 30 GHEDRO COCCOC[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193059897 908848141 /nfs/dbraw/zinc/84/81/41/908848141.db2.gz XRJCCPKZPQJPPQ-NRFANRHFSA-N 1 0 378.516 3.871 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2OCC#N)c2ccccc2)CC1 ZINC000194192621 908866781 /nfs/dbraw/zinc/86/67/81/908866781.db2.gz ILAZYNKENXFNPA-NRFANRHFSA-N 1 0 377.488 3.792 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCc2cc(C#N)ccc21)CC(F)(F)F ZINC001178620757 909153146 /nfs/dbraw/zinc/15/31/46/909153146.db2.gz UTWSPMPVULYGAY-GOEBONIOSA-N 1 0 383.414 3.981 20 30 GHEDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001178696625 909195853 /nfs/dbraw/zinc/19/58/53/909195853.db2.gz WWPXTVIBEMOLLL-DHIUTWEWSA-N 1 0 387.527 3.829 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000068322237 909239275 /nfs/dbraw/zinc/23/92/75/909239275.db2.gz IDDRAIMSCQEHRE-CQSZACIVSA-N 1 0 379.851 3.687 20 30 GHEDRO C=CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3scnc3Cl)C2)C1=O ZINC001276025736 921481503 /nfs/dbraw/zinc/48/15/03/921481503.db2.gz QKUVCXAOKSETBN-OXQOHEQNSA-N 1 0 387.936 3.801 20 30 GHEDRO C[N@@H+]1C[C@@H](CNCc2cc(C#N)ccc2Br)[C@H](c2ccccc2)C1 ZINC001179016024 909356552 /nfs/dbraw/zinc/35/65/52/909356552.db2.gz VKWNMBDJBHPNIB-MOPGFXCFSA-N 1 0 384.321 3.756 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC(C)C)[n+]2ccc(N(C)C)cc2)c(F)cc1F ZINC000267274458 909435247 /nfs/dbraw/zinc/43/52/47/909435247.db2.gz FOLZDBVWWRLDOP-UHFFFAOYSA-O 1 0 392.495 3.564 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000267307365 909445755 /nfs/dbraw/zinc/44/57/55/909445755.db2.gz BNLOVGMOUDXPGU-XMSQKQJNSA-N 1 0 376.504 3.610 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000267503921 909533917 /nfs/dbraw/zinc/53/39/17/909533917.db2.gz VQFCPPBTSBEXQS-FXAWDEMLSA-N 1 0 378.476 3.764 20 30 GHEDRO C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl)CC2 ZINC001274445623 910032222 /nfs/dbraw/zinc/03/22/22/910032222.db2.gz QPUGHXNSFSJCAH-AWEZNQCLSA-N 1 0 380.319 3.935 20 30 GHEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@@H](C)O1 ZINC000269174832 910171208 /nfs/dbraw/zinc/17/12/08/910171208.db2.gz YGVHKRBWZFBPEO-HUUCEWRRSA-N 1 0 390.915 3.565 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1OCCCC#N ZINC000270173770 910469620 /nfs/dbraw/zinc/46/96/20/910469620.db2.gz VWQMUINVPMDSHF-OQRWROFFSA-N 1 0 386.517 3.966 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC001181044620 910499824 /nfs/dbraw/zinc/49/98/24/910499824.db2.gz WNCWVHNKWOVGHX-IVAOSVALSA-N 1 0 384.520 3.898 20 30 GHEDRO CCCCCCC[C@@H](C)C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001181123769 910558136 /nfs/dbraw/zinc/55/81/36/910558136.db2.gz XSOOIEGUVYXJLX-LJQANCHMSA-N 1 0 379.589 3.528 20 30 GHEDRO CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000639888863 910719216 /nfs/dbraw/zinc/71/92/16/910719216.db2.gz ZARPKXTUNFJLPS-UHFFFAOYSA-N 1 0 390.487 3.754 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000271182712 910806077 /nfs/dbraw/zinc/80/60/77/910806077.db2.gz PHZYRSAOPXVCHQ-UHFFFAOYSA-N 1 0 385.471 3.799 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(C(CC)CC)cc1 ZINC000773938761 910924193 /nfs/dbraw/zinc/92/41/93/910924193.db2.gz QJIRFKCFIOFCCU-UHFFFAOYSA-O 1 0 384.525 3.917 20 30 GHEDRO N#Cc1ccc(CN(C(=O)Cc2cccc3[nH]ccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001181730124 910941928 /nfs/dbraw/zinc/94/19/28/910941928.db2.gz WPORMTXEWKCRQE-MEMLXQNLSA-N 1 0 386.499 3.881 20 30 GHEDRO C[C@@H](C#N)OCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000801920835 921625452 /nfs/dbraw/zinc/62/54/52/921625452.db2.gz UGBHSRPEOMLKDV-HNNXBMFYSA-N 1 0 382.439 3.756 20 30 GHEDRO C#CC[N@@H+](CCc1ccnn1CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000801921434 921628793 /nfs/dbraw/zinc/62/87/93/921628793.db2.gz COZJSBGTWSROQS-GOSISDBHSA-N 1 0 388.309 3.667 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(C[NH2+]C2CCCCC2)nn1 ZINC000640927745 911263527 /nfs/dbraw/zinc/26/35/27/911263527.db2.gz BFJUMXGUENBEBJ-MRXNPFEDSA-N 1 0 387.553 3.538 20 30 GHEDRO N#Cc1cccc(CCC(=O)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001182337975 911505147 /nfs/dbraw/zinc/50/51/47/911505147.db2.gz AWSIYZJUXDYNTH-XMMPIXPASA-N 1 0 391.490 3.897 20 30 GHEDRO C[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1 ZINC000284100866 911754504 /nfs/dbraw/zinc/75/45/04/911754504.db2.gz RZXOAWGEEIEENR-KRWDZBQOSA-N 1 0 392.503 3.592 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc(OC)c1O ZINC000284174166 911781385 /nfs/dbraw/zinc/78/13/85/911781385.db2.gz XDAJLVACQSLOBF-HNNXBMFYSA-N 1 0 389.517 3.774 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3c(C)cc(C#N)cc3C)CC2)cc1 ZINC001182502351 911813370 /nfs/dbraw/zinc/81/33/70/911813370.db2.gz KSIBEGHLIOHGHD-UHFFFAOYSA-N 1 0 391.515 3.826 20 30 GHEDRO N#CC1(NC(=O)C[C@@H]2CCc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001182597715 911867807 /nfs/dbraw/zinc/86/78/07/911867807.db2.gz YHKXGZUKPCCVJM-FQEVSTJZSA-N 1 0 391.490 3.920 20 30 GHEDRO CCC[N@@H+]1CCc2c(N)sc(NC(=O)Cc3c[nH]c4cccc(C#N)c34)c2C1 ZINC001182577037 911880494 /nfs/dbraw/zinc/88/04/94/911880494.db2.gz KUVHFVQYBQTQGC-UHFFFAOYSA-N 1 0 393.516 3.633 20 30 GHEDRO CC[NH+]1CCC(CC2CCN(C(=O)Cc3c[nH]c4cccc(C#N)c34)CC2)CC1 ZINC001182580940 911883801 /nfs/dbraw/zinc/88/38/01/911883801.db2.gz BDSMQLZQHHVYOH-UHFFFAOYSA-N 1 0 392.547 3.943 20 30 GHEDRO CC#CCCCCCCCC(=O)N[C@@]1(C(=O)OC)CC[N@H+](Cc2ccccc2)C1 ZINC001182770709 912039840 /nfs/dbraw/zinc/03/98/40/912039840.db2.gz VXFLFWGGWHSIHY-DEOSSOPVSA-N 1 0 398.547 3.674 20 30 GHEDRO Cc1cc(N2CCN(C(=O)[C@H](C)c3ccc(C#N)cc3)CC2)c2ccccc2[nH+]1 ZINC001182787080 912050691 /nfs/dbraw/zinc/05/06/91/912050691.db2.gz JQEFXHFMKLOJAQ-GOSISDBHSA-N 1 0 384.483 3.867 20 30 GHEDRO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001275016028 912151913 /nfs/dbraw/zinc/15/19/13/912151913.db2.gz OZWZHGCKNFNSGP-UHFFFAOYSA-N 1 0 392.956 3.636 20 30 GHEDRO COC(=O)c1cc(C#N)cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001186933288 914881295 /nfs/dbraw/zinc/88/12/95/914881295.db2.gz YMQWNSAGCAFGPV-UHFFFAOYSA-N 1 0 377.444 3.583 20 30 GHEDRO C#Cc1cccc(N(CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2ccccc2)c1 ZINC000303577195 914965862 /nfs/dbraw/zinc/96/58/62/914965862.db2.gz OADMBHJIZGTQPY-UHFFFAOYSA-N 1 0 389.543 3.664 20 30 GHEDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000291154511 915009174 /nfs/dbraw/zinc/00/91/74/915009174.db2.gz BRKGCQFTXBAIDO-XMMPIXPASA-N 1 0 393.531 3.991 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000303782740 915125949 /nfs/dbraw/zinc/12/59/49/915125949.db2.gz NNOGAKNYOUBBSP-UHFFFAOYSA-N 1 0 389.883 3.868 20 30 GHEDRO CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001187295213 915179772 /nfs/dbraw/zinc/17/97/72/915179772.db2.gz VEYFBMVFLMANGC-UHFFFAOYSA-N 1 0 393.487 3.758 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](O)c2ccc(Cl)cc2)c1 ZINC000303870967 915229506 /nfs/dbraw/zinc/22/95/06/915229506.db2.gz BMPFMLFMVUCBEQ-KRWDZBQOSA-N 1 0 377.872 3.598 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000303877502 915236755 /nfs/dbraw/zinc/23/67/55/915236755.db2.gz FIZLXXIEAZFDQS-FQEVSTJZSA-N 1 0 386.927 3.703 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCN(c3ccccc3)C2)c1 ZINC000303880169 915293207 /nfs/dbraw/zinc/29/32/07/915293207.db2.gz HACVSTOXAKEERM-QGZVFWFLSA-N 1 0 382.508 3.737 20 30 GHEDRO CCc1ccc(NC(=[NH2+])NCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000303889670 915298501 /nfs/dbraw/zinc/29/85/01/915298501.db2.gz PRTYAPZPXKVQIU-UHFFFAOYSA-N 1 0 376.254 3.667 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OCc3ccccn3)cc2)cc1OC ZINC000303897245 915302808 /nfs/dbraw/zinc/30/28/08/915302808.db2.gz QJFJABPARNXRHD-UHFFFAOYSA-N 1 0 392.459 3.605 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccccc1CN1CCCC1=O ZINC000303900731 915303684 /nfs/dbraw/zinc/30/36/84/915303684.db2.gz SGKQGYYDUCPPHJ-UHFFFAOYSA-N 1 0 378.520 3.861 20 30 GHEDRO COCCOc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303902863 915305863 /nfs/dbraw/zinc/30/58/63/915305863.db2.gz UGHZGBWAWMPDLP-UHFFFAOYSA-N 1 0 383.370 3.537 20 30 GHEDRO [NH2+]=C(NCc1cc(Br)ccc1OC(F)F)NC1CCCCC1 ZINC000303976217 915346009 /nfs/dbraw/zinc/34/60/09/915346009.db2.gz JYKUINNAFIYYHA-UHFFFAOYSA-N 1 0 376.245 3.788 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3ccc(-c4cccs4)s3)C2)OCC1=O ZINC001275620300 915361072 /nfs/dbraw/zinc/36/10/72/915361072.db2.gz UHHDYWNGQWIZSQ-FQEVSTJZSA-N 1 0 388.558 3.856 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000252692364 915435760 /nfs/dbraw/zinc/43/57/60/915435760.db2.gz BGKVGSILEBZLMP-JTAQYXEDSA-N 1 0 394.563 3.579 20 30 GHEDRO [NH2+]=C(NCc1nncn1-c1ccccc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304470888 915516718 /nfs/dbraw/zinc/51/67/18/915516718.db2.gz DKOHMPDXYYYDGY-UHFFFAOYSA-N 1 0 384.443 3.986 20 30 GHEDRO CC[C@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)Oc1ccccc1Cl ZINC000304671616 915590566 /nfs/dbraw/zinc/59/05/66/915590566.db2.gz CEZYVQWFXFLVGU-CYBMUJFWSA-N 1 0 377.872 3.941 20 30 GHEDRO [NH2+]=C(NCc1ccc(Br)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000304739156 915668942 /nfs/dbraw/zinc/66/89/42/915668942.db2.gz BBWUJROEDNZSIT-UHFFFAOYSA-N 1 0 376.254 3.537 20 30 GHEDRO CN(C)C(=O)c1cccc(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000304810449 915722146 /nfs/dbraw/zinc/72/21/46/915722146.db2.gz WKKVCYPKGAMMKN-UHFFFAOYSA-N 1 0 378.520 3.885 20 30 GHEDRO CCOCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000304937650 915792830 /nfs/dbraw/zinc/79/28/30/915792830.db2.gz KNWYCDHNCPIPPK-UHFFFAOYSA-N 1 0 391.899 3.999 20 30 GHEDRO [NH2+]=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1CCCCCC1 ZINC000305075258 915884982 /nfs/dbraw/zinc/88/49/82/915884982.db2.gz QEOHMWQWMFNLOQ-UHFFFAOYSA-N 1 0 383.458 3.944 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360680120 916268303 /nfs/dbraw/zinc/26/83/03/916268303.db2.gz JQQGRWCCCWBDAG-OAHLLOKOSA-N 1 0 376.485 3.995 20 30 GHEDRO [NH2+]=C(NCCOCc1ccc(Cl)cc1Cl)N[C@H]1CCOc2ccccc21 ZINC000305776386 916370682 /nfs/dbraw/zinc/37/06/82/916370682.db2.gz KQJLMMQOLDANGP-KRWDZBQOSA-N 1 0 394.302 3.938 20 30 GHEDRO N#CCCc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC001189221568 916475255 /nfs/dbraw/zinc/47/52/55/916475255.db2.gz WOJKKZKXMLKQBD-JOCHJYFZSA-N 1 0 397.544 3.648 20 30 GHEDRO CC(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000649927343 916533036 /nfs/dbraw/zinc/53/30/36/916533036.db2.gz UCNLRLVUSQSFFE-UHFFFAOYSA-N 1 0 376.460 3.547 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000294956792 917068190 /nfs/dbraw/zinc/06/81/90/917068190.db2.gz MWGUYYHGYJARBE-UHFFFAOYSA-N 1 0 392.499 3.545 20 30 GHEDRO COc1cccc(N2CC[NH+](CCSCC#Cc3ccc(F)cc3)CC2)c1 ZINC001190088404 917086854 /nfs/dbraw/zinc/08/68/54/917086854.db2.gz GXGXSVXGBHERJK-UHFFFAOYSA-N 1 0 384.520 3.741 20 30 GHEDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000775372441 917232911 /nfs/dbraw/zinc/23/29/11/917232911.db2.gz AVJPKEWPFJQPSJ-CABCVRRESA-N 1 0 399.516 3.942 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000775379270 917310207 /nfs/dbraw/zinc/31/02/07/917310207.db2.gz PFBICRYIPKTHNC-XMMPIXPASA-N 1 0 375.516 3.934 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000775394989 917387614 /nfs/dbraw/zinc/38/76/14/917387614.db2.gz RREKRHCRIBPSJT-MOPGFXCFSA-N 1 0 384.863 3.683 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000775404604 917516023 /nfs/dbraw/zinc/51/60/23/917516023.db2.gz PULWYJQAWXYKDK-FCHUYYIVSA-N 1 0 392.499 3.722 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295970985 917681275 /nfs/dbraw/zinc/68/12/75/917681275.db2.gz NVBMGMGXSAEQIW-SESVDKBCSA-N 1 0 395.551 3.805 20 30 GHEDRO CCCOc1ccccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001191005808 917701624 /nfs/dbraw/zinc/70/16/24/917701624.db2.gz NUXMVMFAGSAGJY-UHFFFAOYSA-N 1 0 377.488 3.764 20 30 GHEDRO C#CCN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CCOc2ccc(Br)cc21 ZINC001191047532 917751571 /nfs/dbraw/zinc/75/15/71/917751571.db2.gz GLVWVBIWPXAUBT-WMZOPIPTSA-N 1 0 377.326 3.692 20 30 GHEDRO CCCC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H](C)c1ccccc1 ZINC001191164566 917795737 /nfs/dbraw/zinc/79/57/37/917795737.db2.gz GNUKAELKEGGHOF-IFMALSPDSA-N 1 0 384.568 3.542 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001191367298 917968391 /nfs/dbraw/zinc/96/83/91/917968391.db2.gz MHSBUYHLTRNHHD-XLIONFOSSA-N 1 0 387.524 3.952 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(OCCOC)CCOCC2)cc1 ZINC000296254624 918056806 /nfs/dbraw/zinc/05/68/06/918056806.db2.gz CZIIZNXGLQVGFZ-QGZVFWFLSA-N 1 0 383.916 3.681 20 30 GHEDRO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC000796548715 918174120 /nfs/dbraw/zinc/17/41/20/918174120.db2.gz YLTCFAXUKXCFSO-FQEVSTJZSA-N 1 0 391.556 3.810 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1cccc(OCC#N)c1)C1CC1 ZINC000775512179 918528498 /nfs/dbraw/zinc/52/84/98/918528498.db2.gz GLGSMRIOMQTOHZ-NRFANRHFSA-N 1 0 378.476 3.621 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3ccc4cccnc4n3)CC2)CC1 ZINC000654431561 919127058 /nfs/dbraw/zinc/12/70/58/919127058.db2.gz QHKZKLFZUCNXHL-UHFFFAOYSA-N 1 0 393.535 3.559 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3O)CC2)C1=O ZINC001275893480 919293814 /nfs/dbraw/zinc/29/38/14/919293814.db2.gz ZDZWLZCZOSIVLP-FQEVSTJZSA-N 1 0 375.900 3.554 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc(Br)cc2C#N)CC1 ZINC000297429031 919325225 /nfs/dbraw/zinc/32/52/25/919325225.db2.gz HSUDLCTYIZHRMB-CYBMUJFWSA-N 1 0 386.297 3.748 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 ZINC001202788293 919433247 /nfs/dbraw/zinc/43/32/47/919433247.db2.gz VSFUNYUMTNEWQE-UHFFFAOYSA-N 1 0 380.448 3.701 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000115358229 919449971 /nfs/dbraw/zinc/44/99/71/919449971.db2.gz KNRHASOKHDZLON-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)ccc1OCc1cccc(C#N)c1 ZINC000119252125 919612627 /nfs/dbraw/zinc/61/26/27/919612627.db2.gz NRKKTJMERDBZNO-QFIPXVFZSA-N 1 0 380.488 3.881 20 30 GHEDRO C=C[C@@H](CC(=O)N1CCC[C@@H](N(C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697920 919868403 /nfs/dbraw/zinc/86/84/03/919868403.db2.gz PSGSBBYQKMRMDC-AZUAARDMSA-N 1 0 382.508 3.551 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000364726120 919909951 /nfs/dbraw/zinc/90/99/51/919909951.db2.gz WSLCJSMLLSVQAY-JOCHJYFZSA-N 1 0 395.547 3.984 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C ZINC000900248688 920057073 /nfs/dbraw/zinc/05/70/73/920057073.db2.gz OMBXOJLZFRXMDA-UHFFFAOYSA-N 1 0 375.513 3.890 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)C[C@H](O)c1cccc(Br)c1 ZINC000298053736 920148088 /nfs/dbraw/zinc/14/80/88/920148088.db2.gz FOINUUYIHSYQHU-KRWDZBQOSA-N 1 0 381.314 3.515 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(F)cc3Br)C2)C1=O ZINC001275965173 920330703 /nfs/dbraw/zinc/33/07/03/920330703.db2.gz GRLIMKMDBMKDPV-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000367220204 921980669 /nfs/dbraw/zinc/98/06/69/921980669.db2.gz RWCQISLYUJSEQO-OXQOHEQNSA-N 1 0 397.954 3.531 20 30 GHEDRO C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000802714209 922354351 /nfs/dbraw/zinc/35/43/51/922354351.db2.gz HNIHOSNNUJUFQL-QZTJIDSGSA-N 1 0 394.519 3.619 20 30 GHEDRO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1 ZINC000902795883 922502974 /nfs/dbraw/zinc/50/29/74/922502974.db2.gz KPBPEIQAOLQRLS-FQEVSTJZSA-N 1 0 386.540 3.610 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@]1(C)CCCCO1 ZINC000903094150 922767420 /nfs/dbraw/zinc/76/74/20/922767420.db2.gz NAVARUJVBMEBQG-LADGPHEKSA-N 1 0 399.579 3.772 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903266410 922892919 /nfs/dbraw/zinc/89/29/19/922892919.db2.gz YGHNHAGQYNUHRP-FHWLQOOXSA-N 1 0 393.572 3.837 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)c1ccc(Cl)cc1 ZINC000803365435 922917752 /nfs/dbraw/zinc/91/77/52/922917752.db2.gz NCYVMVUBCUFKGF-OAQYLSRUSA-N 1 0 399.922 3.984 20 30 GHEDRO CO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000369580999 923455289 /nfs/dbraw/zinc/45/52/89/923455289.db2.gz XDIXWFADSJUBJO-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000371332257 924530662 /nfs/dbraw/zinc/53/06/62/924530662.db2.gz OBUKCISEUDJJAI-WZONZLPQSA-N 1 0 383.536 3.981 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1 ZINC000371422393 924573536 /nfs/dbraw/zinc/57/35/36/924573536.db2.gz GUGZHWYJEOOXDT-QHCPKHFHSA-N 1 0 388.515 3.984 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678636847 924856721 /nfs/dbraw/zinc/85/67/21/924856721.db2.gz FVZBVDJUMQMXTH-FHWLQOOXSA-N 1 0 376.566 3.790 20 30 GHEDRO CN1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000409729232 924933550 /nfs/dbraw/zinc/93/35/50/924933550.db2.gz CKXJXHVQNHUNEA-RHSMWYFYSA-N 1 0 382.336 3.529 20 30 GHEDRO C=CCN1CC[C@@H]([N@H+](C)CCCCCc2cc(-c3cccc(F)c3)no2)C1=O ZINC000410339263 925551806 /nfs/dbraw/zinc/55/18/06/925551806.db2.gz JJLISDKMXCWWMC-OAQYLSRUSA-N 1 0 385.483 3.912 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000372578556 925553045 /nfs/dbraw/zinc/55/30/45/925553045.db2.gz SGIKRZRJXWBKPV-BDTNDASRSA-N 1 0 391.519 3.761 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000410496347 925684518 /nfs/dbraw/zinc/68/45/18/925684518.db2.gz FIONOYUKQXUQPU-YJBOKZPZSA-N 1 0 382.895 3.732 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000827750197 925945690 /nfs/dbraw/zinc/94/56/90/925945690.db2.gz AYLXMQOCUYKOLM-FYYLOGMGSA-N 1 0 391.515 3.863 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000827787453 925980063 /nfs/dbraw/zinc/98/00/63/925980063.db2.gz NREVQKIQWKHYPH-INIZCTEOSA-N 1 0 391.368 3.720 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000411168040 926164286 /nfs/dbraw/zinc/16/42/86/926164286.db2.gz PAYHICXFAAJUOT-MRXNPFEDSA-N 1 0 381.476 3.815 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000411397255 926351274 /nfs/dbraw/zinc/35/12/74/926351274.db2.gz LLBSSPOEOCOTDR-UHFFFAOYSA-N 1 0 381.476 3.589 20 30 GHEDRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411399807 926365345 /nfs/dbraw/zinc/36/53/45/926365345.db2.gz MLHLJKAWSNOQDI-OAHLLOKOSA-N 1 0 399.564 3.600 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Br)ccc3O)CC2)cc1 ZINC000725850029 926467582 /nfs/dbraw/zinc/46/75/82/926467582.db2.gz DPWURYMPGSHYQG-UHFFFAOYSA-N 1 0 386.293 3.785 20 30 GHEDRO Cc1cc(NC(=O)c2cc(C#N)oc2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000373864206 926505329 /nfs/dbraw/zinc/50/53/29/926505329.db2.gz VEZDAFLHNFOCNH-SFHVURJKSA-N 1 0 389.459 3.664 20 30 GHEDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000411634715 926580531 /nfs/dbraw/zinc/58/05/31/926580531.db2.gz APTMCFHVUJSJLX-FQEVSTJZSA-N 1 0 397.544 3.786 20 30 GHEDRO CCC(CC)(CCO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411697574 926670554 /nfs/dbraw/zinc/67/05/54/926670554.db2.gz RSVAPOKDNPSBHC-AWEZNQCLSA-N 1 0 377.554 3.604 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374369894 927064473 /nfs/dbraw/zinc/06/44/73/927064473.db2.gz WFDDEDQKWQPLKF-FUHWJXTLSA-N 1 0 387.549 3.768 20 30 GHEDRO C[C@@H](Cc1cccc(F)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374883702 927651654 /nfs/dbraw/zinc/65/16/54/927651654.db2.gz YZBHEJJFAKVHNA-SFHVURJKSA-N 1 0 379.479 3.679 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000751599434 928267500 /nfs/dbraw/zinc/26/75/00/928267500.db2.gz QTPIKTIRHMDPPQ-GOSISDBHSA-N 1 0 387.549 3.932 20 30 GHEDRO COc1cccc(C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CC2)c1 ZINC000375538218 928413409 /nfs/dbraw/zinc/41/34/09/928413409.db2.gz YIGLHAUAKXVYOO-JOCHJYFZSA-N 1 0 376.504 3.542 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)C1(CC)CC ZINC000751960025 928513445 /nfs/dbraw/zinc/51/34/45/928513445.db2.gz SAEUURFMUORRFA-VQTJNVASSA-N 1 0 381.524 3.998 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467092393 928688018 /nfs/dbraw/zinc/68/80/18/928688018.db2.gz NDMVAANANMBDCG-UHFFFAOYSA-N 1 0 381.520 3.697 20 30 GHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000467122836 928725864 /nfs/dbraw/zinc/72/58/64/928725864.db2.gz RPAFIVINAMWXJS-SFHVURJKSA-N 1 0 386.540 3.779 20 30 GHEDRO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@H]1CCCO1 ZINC000467146543 928756053 /nfs/dbraw/zinc/75/60/53/928756053.db2.gz JBNBVEJKFOEZLN-OAHLLOKOSA-N 1 0 375.538 3.718 20 30 GHEDRO C#CCOc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000752680265 928973301 /nfs/dbraw/zinc/97/33/01/928973301.db2.gz VTBRHUFSFRXELG-UHFFFAOYSA-N 1 0 377.488 3.827 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000467615043 929238601 /nfs/dbraw/zinc/23/86/01/929238601.db2.gz MGKGXAYIQCKQRE-UHFFFAOYSA-N 1 0 390.336 3.712 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000467718086 929332662 /nfs/dbraw/zinc/33/26/62/929332662.db2.gz KVUUWQIHMUIIHA-HRAATJIYSA-N 1 0 375.472 3.872 20 30 GHEDRO C=CCNC(=O)C[NH2+][C@@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000467735640 929352990 /nfs/dbraw/zinc/35/29/90/929352990.db2.gz ZJUUBQGCHZTVBJ-SFHVURJKSA-N 1 0 391.284 3.764 20 30 GHEDRO CCc1nnc(N2CCC[N@H+](CCCc3ccccc3)CC2)c(C#N)c1CC ZINC000467779678 929404654 /nfs/dbraw/zinc/40/46/54/929404654.db2.gz DRTDNZZIUNHZNE-UHFFFAOYSA-N 1 0 377.536 3.618 20 30 GHEDRO C[C@@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C[N@@H+]1C1CC1 ZINC000753960643 929612000 /nfs/dbraw/zinc/61/20/00/929612000.db2.gz SYWDBCLEDPJCQN-LLVKDONJSA-N 1 0 376.386 3.582 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000753968647 929615464 /nfs/dbraw/zinc/61/54/64/929615464.db2.gz OUDVTMUAFMKKOW-NJNPRVFISA-N 1 0 393.487 3.635 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000753968655 929615734 /nfs/dbraw/zinc/61/57/34/929615734.db2.gz OUDVTMUAFMKKOW-NPPFBWRTSA-N 1 0 393.487 3.635 20 30 GHEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2c1c(F)ccc2O ZINC000757637411 929753552 /nfs/dbraw/zinc/75/35/52/929753552.db2.gz HSTIYQFWBKOIAY-JEBQAFNWSA-N 1 0 379.435 3.736 20 30 GHEDRO C#CCCCC(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000758010202 929886796 /nfs/dbraw/zinc/88/67/96/929886796.db2.gz IXOFMEWGVUPIGV-UHFFFAOYSA-N 1 0 375.516 3.793 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C#N)c3ccccc3Cl)CC2)c1 ZINC000469483226 929929524 /nfs/dbraw/zinc/92/95/24/929929524.db2.gz CSVJXWJXZUMBGS-OAQYLSRUSA-N 1 0 396.922 3.542 20 30 GHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469546091 929980685 /nfs/dbraw/zinc/98/06/85/929980685.db2.gz BBAGBYRJOJXXGN-IBGZPJMESA-N 1 0 396.535 3.518 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nc1 ZINC000469551838 929984194 /nfs/dbraw/zinc/98/41/94/929984194.db2.gz LIBNBVUJGVBZBR-KRWDZBQOSA-N 1 0 392.425 3.731 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)cc1 ZINC000758495888 930061964 /nfs/dbraw/zinc/06/19/64/930061964.db2.gz SRPBESQEHJTRBV-QHCPKHFHSA-N 1 0 394.588 3.744 20 30 GHEDRO N#Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ccc1F ZINC000469664756 930066932 /nfs/dbraw/zinc/06/69/32/930066932.db2.gz ZTPVIWFTRLJMTG-UHFFFAOYSA-N 1 0 385.870 3.993 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000546769084 930417839 /nfs/dbraw/zinc/41/78/39/930417839.db2.gz FYJBRZUFGJOFJF-UHFFFAOYSA-N 1 0 391.581 3.812 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCc2nc(C)sc21)C(C)C ZINC000780821812 930608167 /nfs/dbraw/zinc/60/81/67/930608167.db2.gz XJABNXKXRMZZTO-MSOLQXFVSA-N 1 0 376.570 3.827 20 30 GHEDRO CCC(CC)(CNC(=O)[C@@H](O)c1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000780938129 930645114 /nfs/dbraw/zinc/64/51/14/930645114.db2.gz KUAOIRPDUOZLJG-UTKZUKDTSA-N 1 0 379.504 3.617 20 30 GHEDRO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470818995 930937862 /nfs/dbraw/zinc/93/78/62/930937862.db2.gz BKAVGECPGSRPPG-ROUUACIJSA-N 1 0 386.540 3.989 20 30 GHEDRO C[C@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000547373669 930965582 /nfs/dbraw/zinc/96/55/82/930965582.db2.gz BFVKFGOUYCJBFH-HXUWFJFHSA-N 1 0 390.531 3.969 20 30 GHEDRO C=CCn1c2ccccc2n(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1=S ZINC000782914728 931364854 /nfs/dbraw/zinc/36/48/54/931364854.db2.gz XBCDQOIPGWHJPC-QGZVFWFLSA-N 1 0 386.565 3.501 20 30 GHEDRO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1nc(-c2ccc(Cl)cc2)no1 ZINC000783844932 931688421 /nfs/dbraw/zinc/68/84/21/931688421.db2.gz AHHHJCJSLADGTA-UHFFFAOYSA-N 1 0 379.811 3.725 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000925298066 931734332 /nfs/dbraw/zinc/73/43/32/931734332.db2.gz QGIKHRILBNJKAN-KURKYZTESA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000925298064 931734449 /nfs/dbraw/zinc/73/44/49/931734449.db2.gz QGIKHRILBNJKAN-FGTMMUONSA-N 1 0 379.545 3.711 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000777553819 931735799 /nfs/dbraw/zinc/73/57/99/931735799.db2.gz WEYYWZRAJQAPOR-UHFFFAOYSA-N 1 0 389.883 3.616 20 30 GHEDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000557999793 931794912 /nfs/dbraw/zinc/79/49/12/931794912.db2.gz MCROHSCVTVXZAZ-UHFFFAOYSA-N 1 0 380.492 3.940 20 30 GHEDRO Cc1cnccc1CC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925631717 931844255 /nfs/dbraw/zinc/84/42/55/931844255.db2.gz WUOBTNRSYGULHB-SFHVURJKSA-N 1 0 386.540 3.842 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000784329456 931859260 /nfs/dbraw/zinc/85/92/60/931859260.db2.gz TVUMLRHIGQERBO-MRXNPFEDSA-N 1 0 381.442 3.855 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(-n3ccnc3)cs2)ccc1OC ZINC000784543067 931930200 /nfs/dbraw/zinc/93/02/00/931930200.db2.gz YQXKLLWXTRFFOC-KRWDZBQOSA-N 1 0 382.489 3.913 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000558316379 931937933 /nfs/dbraw/zinc/93/79/33/931937933.db2.gz PIBVFTXRKQKSCK-DYESRHJHSA-N 1 0 394.519 3.724 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1cccnc1 ZINC000925907345 931951549 /nfs/dbraw/zinc/95/15/49/931951549.db2.gz YRIKCQQOVFLSMX-FSSWDIPSSA-N 1 0 391.519 3.556 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H]1CC[NH3+] ZINC000926046023 932015849 /nfs/dbraw/zinc/01/58/49/932015849.db2.gz GDPQIBXLYVJTMH-GDBMZVCRSA-N 1 0 382.439 3.938 20 30 GHEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926125191 932056553 /nfs/dbraw/zinc/05/65/53/932056553.db2.gz WQXFEARMLUILMC-KWQFWETISA-N 1 0 387.299 3.896 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)ccc1OC ZINC000796824533 932080317 /nfs/dbraw/zinc/08/03/17/932080317.db2.gz HZUQLLOMOZLZJD-FUHWJXTLSA-N 1 0 391.475 3.808 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCSc3ccccc32)c(OC)c1 ZINC000558750937 932211220 /nfs/dbraw/zinc/21/12/20/932211220.db2.gz WVEHOIFIHZABDL-IEBWSBKVSA-N 1 0 385.529 3.990 20 30 GHEDRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)CC(C)(C)C#N)cc1Br ZINC000926537440 932221326 /nfs/dbraw/zinc/22/13/26/932221326.db2.gz KCFHACOASAVQHL-DZGCQCFKSA-N 1 0 383.330 3.527 20 30 GHEDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000926541539 932222409 /nfs/dbraw/zinc/22/24/09/932222409.db2.gz KBCBLOIHTKPOSI-DLBZAZTESA-N 1 0 389.544 3.873 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)O[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000797269095 932236755 /nfs/dbraw/zinc/23/67/55/932236755.db2.gz WTIFMGBWYVTYHI-OAQYLSRUSA-N 1 0 378.447 3.937 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)COc1cccc(C#N)c1 ZINC000797339243 932254347 /nfs/dbraw/zinc/25/43/47/932254347.db2.gz MENLCWCOQCWCIT-NRFANRHFSA-N 1 0 378.472 3.781 20 30 GHEDRO Cc1ccc(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000926863385 932330087 /nfs/dbraw/zinc/33/00/87/932330087.db2.gz LBPNTLRZFITNRX-UHFFFAOYSA-N 1 0 391.519 3.710 20 30 GHEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC000926880824 932335234 /nfs/dbraw/zinc/33/52/34/932335234.db2.gz VWUWXCBQOPTAMW-IRXDYDNUSA-N 1 0 379.545 3.711 20 30 GHEDRO CS(=O)(=O)c1ccccc1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000926906937 932344092 /nfs/dbraw/zinc/34/40/92/932344092.db2.gz CMZSINBWXCPORE-UHFFFAOYSA-N 1 0 382.529 3.626 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000558988438 932357175 /nfs/dbraw/zinc/35/71/75/932357175.db2.gz ZVBAWAXVUREJAY-UHFFFAOYSA-N 1 0 395.551 3.518 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000559311416 932592523 /nfs/dbraw/zinc/59/25/23/932592523.db2.gz JWXKJJPCLMEBCE-YLJYHZDGSA-N 1 0 395.478 3.830 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000559683171 932793162 /nfs/dbraw/zinc/79/31/62/932793162.db2.gz ROWCLNJPHUXLRF-RTBURBONSA-N 1 0 385.552 3.538 20 30 GHEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000799165334 932896250 /nfs/dbraw/zinc/89/62/50/932896250.db2.gz FLCLTPFEOHYIPZ-ZWKOTPCHSA-N 1 0 379.545 3.712 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4cccc(Br)c4)CCC3)cnc12 ZINC000559861645 932913284 /nfs/dbraw/zinc/91/32/84/932913284.db2.gz BNCKULBRSLLYIW-UHFFFAOYSA-N 1 0 396.292 3.575 20 30 GHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000560515079 933304695 /nfs/dbraw/zinc/30/46/95/933304695.db2.gz CLVAXDSPRMOFIX-XMMPIXPASA-N 1 0 388.515 3.853 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CC1 ZINC000930004732 933769778 /nfs/dbraw/zinc/76/97/78/933769778.db2.gz IAYIOQCPMSYZDA-UHFFFAOYSA-N 1 0 398.894 3.533 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000930204637 933889973 /nfs/dbraw/zinc/88/99/73/933889973.db2.gz SJLTYGKIZHEIAL-INIZCTEOSA-N 1 0 375.472 3.696 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000561132861 933899402 /nfs/dbraw/zinc/89/94/02/933899402.db2.gz VDGISPJSHPYBBA-YCRPNKLZSA-N 1 0 383.517 3.537 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000561229234 933977059 /nfs/dbraw/zinc/97/70/59/933977059.db2.gz KHTUVZNWIXUHDM-SFHVURJKSA-N 1 0 380.467 3.532 20 30 GHEDRO N#Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cs1 ZINC001117780483 934019866 /nfs/dbraw/zinc/01/98/66/934019866.db2.gz SOTFGTVIFIEJHW-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO COC(=O)c1ccc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C#N)n1 ZINC001118397417 934154430 /nfs/dbraw/zinc/15/44/30/934154430.db2.gz ACOHFZKFQHLZOL-YQQQUEKLSA-N 1 0 390.487 3.737 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)c1 ZINC001118960443 934292621 /nfs/dbraw/zinc/29/26/21/934292621.db2.gz WZFXGGFMQSOSAZ-KRWDZBQOSA-N 1 0 386.858 3.548 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1C#N ZINC001119050958 934305114 /nfs/dbraw/zinc/30/51/14/934305114.db2.gz RVQQDQGWJMYLDX-UHFFFAOYSA-N 1 0 384.549 3.501 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000561902702 934547788 /nfs/dbraw/zinc/54/77/88/934547788.db2.gz WTFMKZDBHHBQHH-OAHLLOKOSA-N 1 0 389.421 3.756 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2ccc(CCC#N)cc2)c1 ZINC001121056988 934557561 /nfs/dbraw/zinc/55/75/61/934557561.db2.gz OGLLIFNCMBZEKX-UHFFFAOYSA-N 1 0 378.476 3.562 20 30 GHEDRO Cn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001121428524 934655142 /nfs/dbraw/zinc/65/51/42/934655142.db2.gz UJYYBFMWJUGKAK-HXUWFJFHSA-N 1 0 376.508 3.677 20 30 GHEDRO C=CCn1c(N2CCC([NH+](CC)CC)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001121547242 934693364 /nfs/dbraw/zinc/69/33/64/934693364.db2.gz RYYOAKOHULSSSR-QFIPXVFZSA-N 1 0 382.556 3.500 20 30 GHEDRO C=CCn1c(-c2cccc3ocnc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121651983 934726579 /nfs/dbraw/zinc/72/65/79/934726579.db2.gz WOGZMQOAFFYQDZ-UHFFFAOYSA-N 1 0 380.496 3.583 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001121661421 934730682 /nfs/dbraw/zinc/73/06/82/934730682.db2.gz IOPUPBNENBZJBU-GBESFXJTSA-N 1 0 399.489 3.545 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001121732125 934750206 /nfs/dbraw/zinc/75/02/06/934750206.db2.gz JVBWTDIZROIMIU-HNNXBMFYSA-N 1 0 396.539 3.616 20 30 GHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000562289774 934807803 /nfs/dbraw/zinc/80/78/03/934807803.db2.gz YAHYXRACZAEBEE-UHFFFAOYSA-N 1 0 379.302 3.659 20 30 GHEDRO C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001122388042 934860328 /nfs/dbraw/zinc/86/03/28/934860328.db2.gz YDJYVTBYSUDQRO-UHFFFAOYSA-N 1 0 396.539 3.760 20 30 GHEDRO CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000932282047 934866567 /nfs/dbraw/zinc/86/65/67/934866567.db2.gz DQJJXYNCSMEKTL-OALUTQOASA-N 1 0 376.928 3.979 20 30 GHEDRO CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000932282050 934866682 /nfs/dbraw/zinc/86/66/82/934866682.db2.gz DQJJXYNCSMEKTL-RBUKOAKNSA-N 1 0 376.928 3.979 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001122441866 934870875 /nfs/dbraw/zinc/87/08/75/934870875.db2.gz HXBNGKRZXNZNHO-VQIMIIECSA-N 1 0 399.587 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC(C)(C)C1 ZINC001122466583 934876694 /nfs/dbraw/zinc/87/66/94/934876694.db2.gz QLJTYACPJABETC-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c(CCC[N@@H+](C)Cc2c(C)noc2C)nnc1N1CCCCC1 ZINC001122527323 934890266 /nfs/dbraw/zinc/89/02/66/934890266.db2.gz GLPMKLNKPSPXCS-UHFFFAOYSA-N 1 0 386.544 3.514 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC(C)C)n2ccnc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122539568 934894075 /nfs/dbraw/zinc/89/40/75/934894075.db2.gz NNMQDOPSGWFVCY-HXUWFJFHSA-N 1 0 399.587 3.653 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001122621746 934923872 /nfs/dbraw/zinc/92/38/72/934923872.db2.gz VGCMDSGFMVZJQB-XUVXKRRUSA-N 1 0 394.567 3.688 20 30 GHEDRO C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC001125087757 935522726 /nfs/dbraw/zinc/52/27/26/935522726.db2.gz JFGDGHNGEGSKQT-KGVIQGDOSA-N 1 0 393.572 3.711 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c(C#N)c1 ZINC001137702666 935733196 /nfs/dbraw/zinc/73/31/96/935733196.db2.gz VLSYRLQSCQHLPV-CTNGQTDRSA-N 1 0 384.483 3.739 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001137901154 935855623 /nfs/dbraw/zinc/85/56/23/935855623.db2.gz QJQGQCYUOXXPCL-DEOSSOPVSA-N 1 0 388.515 3.961 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(F)c1F ZINC001137968868 935896944 /nfs/dbraw/zinc/89/69/44/935896944.db2.gz WFDOAQGDXDZSEM-QFIPXVFZSA-N 1 0 381.426 3.774 20 30 GHEDRO CN(C)c1cc[nH+]c(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 ZINC001626021303 1014785103 /nfs/dbraw/zinc/78/51/03/1014785103.db2.gz BQYNYHRSJCZXIE-UHFFFAOYSA-N 1 0 386.455 3.528 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@]12CCCO2 ZINC000545350119 1015797438 /nfs/dbraw/zinc/79/74/38/1015797438.db2.gz QWFWOQIIUPPEOE-SMIHKQSGSA-N 1 0 392.499 3.953 20 30 GHEDRO N#Cc1c[nH]c2c1cccc2C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220982569 1032222861 /nfs/dbraw/zinc/22/28/61/1032222861.db2.gz HJHCJFJTKPQIAC-UHFFFAOYSA-N 1 0 390.462 3.521 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC001154892463 1032331647 /nfs/dbraw/zinc/33/16/47/1032331647.db2.gz GHQXOWXXGIGMFM-KRWDZBQOSA-N 1 0 383.492 3.805 20 30 GHEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CCNc2cc(Br)ccc21 ZINC001221383670 1032391378 /nfs/dbraw/zinc/39/13/78/1032391378.db2.gz AZWPECMRSYQJJX-HOTGVXAUSA-N 1 0 380.330 3.886 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001227478834 1032435920 /nfs/dbraw/zinc/43/59/20/1032435920.db2.gz FFFPBBSIGUMCFK-BHIFYINESA-N 1 0 385.552 3.664 20 30 GHEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155514876 1032567442 /nfs/dbraw/zinc/56/74/42/1032567442.db2.gz MSPKIVZXHQDNTH-OFVILXPXSA-N 1 0 396.494 3.935 20 30 GHEDRO Cc1nc(O[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828570 1032637515 /nfs/dbraw/zinc/63/75/15/1032637515.db2.gz RZIBFUGCBXHJKD-QFBILLFUSA-N 1 0 385.895 3.892 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cc(C)nn2C)ccc1OC ZINC000925398409 1017078573 /nfs/dbraw/zinc/07/85/73/1017078573.db2.gz XFACWAPAMPDLHL-NRSPTQNISA-N 1 0 396.535 3.919 20 30 GHEDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925693896 1017137971 /nfs/dbraw/zinc/13/79/71/1017137971.db2.gz SKAXLYPUIBCUKQ-FGTMMUONSA-N 1 0 379.545 3.711 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000560966625 1017765762 /nfs/dbraw/zinc/76/57/62/1017765762.db2.gz PAPIBIPMTFJLLQ-IBGZPJMESA-N 1 0 380.448 3.621 20 30 GHEDRO C=CCOc1ccc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1 ZINC001204299623 1032738614 /nfs/dbraw/zinc/73/86/14/1032738614.db2.gz CBIPLNVUCNKEAR-GPXNEJASSA-N 1 0 394.563 3.821 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCCn2cc(Br)cn2)c(C(F)(F)F)c1 ZINC000562078716 1018029436 /nfs/dbraw/zinc/02/94/36/1018029436.db2.gz UBUOWTIPXTXXFY-UHFFFAOYSA-N 1 0 387.203 3.716 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)cc1 ZINC001204300327 1032740618 /nfs/dbraw/zinc/74/06/18/1032740618.db2.gz LPXVXECSOLLNFT-SIKLNZKXSA-N 1 0 380.463 3.737 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001204303062 1032744794 /nfs/dbraw/zinc/74/47/94/1032744794.db2.gz YINHLGVYQALECQ-LJQANCHMSA-N 1 0 390.524 3.709 20 30 GHEDRO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000562571211 1018332008 /nfs/dbraw/zinc/33/20/08/1018332008.db2.gz LHPPXWPXSOXOBJ-UHFFFAOYSA-N 1 0 378.524 3.852 20 30 GHEDRO N#CC1(NC(=O)c2cc(Cl)nc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000778110220 1018587196 /nfs/dbraw/zinc/58/71/96/1018587196.db2.gz HFQFFHZLXSCHDF-UHFFFAOYSA-N 1 0 389.286 3.677 20 30 GHEDRO C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCO1 ZINC000932942275 1018770722 /nfs/dbraw/zinc/77/07/22/1018770722.db2.gz GOUBRLQJHHDHTP-YTWAJWBKSA-N 1 0 381.307 3.904 20 30 GHEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000563618543 1018935759 /nfs/dbraw/zinc/93/57/59/1018935759.db2.gz VFNLVDNUPSSRQA-GOSISDBHSA-N 1 0 376.909 3.596 20 30 GHEDRO N#Cc1ccccc1CN1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001204367304 1032808475 /nfs/dbraw/zinc/80/84/75/1032808475.db2.gz GEUJVRFULMDKQT-XZOQPEGZSA-N 1 0 377.488 3.541 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000045430726 1019785866 /nfs/dbraw/zinc/78/58/66/1019785866.db2.gz LXRWEMHKTPUNSX-UHFFFAOYSA-N 1 0 381.907 3.609 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000572889890 1019811573 /nfs/dbraw/zinc/81/15/73/1019811573.db2.gz GBTVRDAHQXWRFB-SJORKVTESA-N 1 0 376.508 3.598 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576223680 1019990452 /nfs/dbraw/zinc/99/04/52/1019990452.db2.gz HEOZCWINKFOZTD-LMMKCTJWSA-N 1 0 387.549 3.910 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000576350763 1020007283 /nfs/dbraw/zinc/00/72/83/1020007283.db2.gz NIBVXBPBHCJRGP-CQSZACIVSA-N 1 0 396.344 3.991 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CCOCC1 ZINC000600741959 1020230763 /nfs/dbraw/zinc/23/07/63/1020230763.db2.gz SCFXJLCICTVCSG-MRXNPFEDSA-N 1 0 391.924 3.624 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)c(F)c3)cc2)C[C@H](C)O1 ZINC000579062739 1020385052 /nfs/dbraw/zinc/38/50/52/1020385052.db2.gz XQZIXJBLPIZFIQ-HOTGVXAUSA-N 1 0 396.466 3.628 20 30 GHEDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000077325158 1020621430 /nfs/dbraw/zinc/62/14/30/1020621430.db2.gz CLYLNDCEVOHMBO-HXUWFJFHSA-N 1 0 378.520 3.816 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1cncc(N2CC[NH2+]CC2)n1 ZINC001156226272 1032932336 /nfs/dbraw/zinc/93/23/36/1032932336.db2.gz JHLZATSNFXIBRO-IBGZPJMESA-N 1 0 398.514 3.526 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ncc(Br)cc3C)CC2)C1=O ZINC001277299766 1032935134 /nfs/dbraw/zinc/93/51/34/1032935134.db2.gz AQOOQTLSQFZDIT-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO COc1cc(OC)cc([C@@H](O)C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000304748000 1021153906 /nfs/dbraw/zinc/15/39/06/1021153906.db2.gz GWRWPJVWRFRJNB-NRFANRHFSA-N 1 0 383.492 3.691 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2ncc(Cl)nc2C#N)cc1 ZINC001156293964 1032964732 /nfs/dbraw/zinc/96/47/32/1032964732.db2.gz KAKQSZVHCUPGFT-MRXNPFEDSA-N 1 0 385.899 3.501 20 30 GHEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)cc1 ZINC001140286713 1021318512 /nfs/dbraw/zinc/31/85/12/1021318512.db2.gz BMQYTVKISOYJRV-DEOSSOPVSA-N 1 0 391.515 3.563 20 30 GHEDRO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000900512915 1021326854 /nfs/dbraw/zinc/32/68/54/1021326854.db2.gz PWLCZFSLLWPCDQ-VAWYXSNFSA-N 1 0 377.488 3.879 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(-c3cncnc3)cc1)CC2 ZINC001140355880 1021484430 /nfs/dbraw/zinc/48/44/30/1021484430.db2.gz ZYAYARIKLBDXPJ-HSZRJFAPSA-N 1 0 376.504 3.677 20 30 GHEDRO c1cn(-c2ccc(N=NC3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)nn2)cn1 ZINC000834975056 1021747568 /nfs/dbraw/zinc/74/75/68/1021747568.db2.gz WKJAJEDONNOSLM-ICSRJNTNSA-N 1 0 387.491 3.505 20 30 GHEDRO COc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001137264782 1021766633 /nfs/dbraw/zinc/76/66/33/1021766633.db2.gz ZQRCAAVWYIDDMY-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C#N)CC3)cc2)CC1 ZINC001140481589 1021783398 /nfs/dbraw/zinc/78/33/98/1021783398.db2.gz WLMUIBCTLMZZEM-LJQANCHMSA-N 1 0 398.551 3.869 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C(=O)OC)s1)CC2 ZINC001140517507 1021908126 /nfs/dbraw/zinc/90/81/26/1021908126.db2.gz DILAHLNUGITHFK-UHFFFAOYSA-N 1 0 392.521 3.535 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3c[nH]c4ncccc34)C[C@@H]2c2ccccc2)C1=O ZINC001137399060 1022104557 /nfs/dbraw/zinc/10/45/57/1022104557.db2.gz JTIUVSWHNWGMJF-QPPBQGQZSA-N 1 0 386.499 3.567 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]21 ZINC001140755772 1022445120 /nfs/dbraw/zinc/44/51/20/1022445120.db2.gz SAUVXEGKTTVWHP-DHSIGJKJSA-N 1 0 377.435 3.572 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(O)cc(Cl)c4)C3)CC2=O)c1 ZINC001140789744 1022535719 /nfs/dbraw/zinc/53/57/19/1022535719.db2.gz YMKGWCOCQHRRBL-OAQYLSRUSA-N 1 0 381.863 3.546 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754381126 1022655247 /nfs/dbraw/zinc/65/52/47/1022655247.db2.gz ASTVQPWLROXZAY-LSDHHAIUSA-N 1 0 389.546 3.794 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CCO)c2cccs2)c1 ZINC000754394541 1022669810 /nfs/dbraw/zinc/66/98/10/1022669810.db2.gz IZGMIOBAYKSXNR-PKOBYXMFSA-N 1 0 385.533 3.713 20 30 GHEDRO N#Cc1c(NC(=O)C[NH2+][C@H](CCO)c2cccs2)sc2c1CCCCC2 ZINC000754393431 1022669965 /nfs/dbraw/zinc/66/99/65/1022669965.db2.gz FHDMMPIGAFWTBB-OAHLLOKOSA-N 1 0 389.546 3.602 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(N(CC)CC)cc1O)CC2 ZINC001140852524 1022701959 /nfs/dbraw/zinc/70/19/59/1022701959.db2.gz RAQBKPMITXOITH-HSZRJFAPSA-N 1 0 385.552 3.772 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000754655181 1022813715 /nfs/dbraw/zinc/81/37/15/1022813715.db2.gz FSHQDHDYAPJOFC-OAHLLOKOSA-N 1 0 388.537 3.672 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140923729 1022899485 /nfs/dbraw/zinc/89/94/85/1022899485.db2.gz FPQZDAOAQTWBGG-NRFANRHFSA-N 1 0 375.944 3.939 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc4cc(OC)ccc4nc3Cl)C2)C1=O ZINC001141063290 1023411849 /nfs/dbraw/zinc/41/18/49/1023411849.db2.gz MMJIEWSRWVDKHN-QFIPXVFZSA-N 1 0 399.922 3.897 20 30 GHEDRO C=C(C)[C@H](CC(=O)OC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1)OCC ZINC000756557918 1023713181 /nfs/dbraw/zinc/71/31/81/1023713181.db2.gz KVSZFFXRDVQJTC-KAGYGMCKSA-N 1 0 375.509 3.993 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1C#N ZINC000756613612 1023738763 /nfs/dbraw/zinc/73/87/63/1023738763.db2.gz KXRCZZZPUZHGSN-NQIIRXRSSA-N 1 0 382.435 3.572 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000830837967 1024179377 /nfs/dbraw/zinc/17/93/77/1024179377.db2.gz DUBAXWPQRNIPQO-OAHLLOKOSA-N 1 0 381.423 3.947 20 30 GHEDRO C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000837364700 1024383458 /nfs/dbraw/zinc/38/34/58/1024383458.db2.gz APEHYYKOBFSUMW-PFONDFGASA-N 1 0 383.414 3.682 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cnc(Cl)n3[C@@H]3CCCCO3)sc2C1 ZINC001205013615 1033207423 /nfs/dbraw/zinc/20/74/23/1033207423.db2.gz ZHRDKHQEPSMBTF-HNNXBMFYSA-N 1 0 377.901 3.900 20 30 GHEDRO N#Cc1ccc(Oc2ccc(CN3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cc2)cc1 ZINC001141294158 1024426093 /nfs/dbraw/zinc/42/60/93/1024426093.db2.gz YAAASWXBHJWSEU-PSWAGMNNSA-N 1 0 389.499 3.646 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)C#CC(C)(C)C)CC1 ZINC000837660351 1024614320 /nfs/dbraw/zinc/61/43/20/1024614320.db2.gz DROAICNMLHPYHZ-UHFFFAOYSA-N 1 0 391.353 3.921 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(n3ncc4ccccc43)CC2)cc1OC ZINC001138348555 1024712523 /nfs/dbraw/zinc/71/25/23/1024712523.db2.gz LBGVRUHVWLUNGM-UHFFFAOYSA-N 1 0 375.472 3.894 20 30 GHEDRO COC(=O)C1(C#N)CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000831691905 1024747133 /nfs/dbraw/zinc/74/71/33/1024747133.db2.gz YPRWVWUPHYWPLA-RQOWECAXSA-N 1 0 377.282 3.631 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000831704649 1024760666 /nfs/dbraw/zinc/76/06/66/1024760666.db2.gz KIXLQKBVASENJW-RTWAWAEBSA-N 1 0 399.535 3.761 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(N(CC)CC)cc1OC)CC2 ZINC001138387486 1024761577 /nfs/dbraw/zinc/76/15/77/1024761577.db2.gz IMJLHEAHJKRHOC-UHFFFAOYSA-N 1 0 385.552 3.684 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(-n3ccnc3C)cc1)CCO2 ZINC001138548398 1024994974 /nfs/dbraw/zinc/99/49/74/1024994974.db2.gz CVLIUIXCSLRNRO-FYYLOGMGSA-N 1 0 381.520 3.754 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)cc1 ZINC001138559990 1025023317 /nfs/dbraw/zinc/02/33/17/1025023317.db2.gz YYFFYISEEBGGNL-ZEQRLZLVSA-N 1 0 376.500 3.706 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc(OC)ccc34)C2)C1 ZINC001138588093 1025071579 /nfs/dbraw/zinc/07/15/79/1025071579.db2.gz SEQQSFUJCBTGIP-QFIPXVFZSA-N 1 0 383.492 3.787 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccccc3N3CCCCC3)C2)CC1 ZINC001138605341 1025091774 /nfs/dbraw/zinc/09/17/74/1025091774.db2.gz TZMAIMKWHOIXHF-UHFFFAOYSA-N 1 0 383.536 3.897 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138620010 1025113633 /nfs/dbraw/zinc/11/36/33/1025113633.db2.gz PBOANWAWUHRJLJ-FYYLOGMGSA-N 1 0 395.503 3.843 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138620012 1025114384 /nfs/dbraw/zinc/11/43/84/1025114384.db2.gz PBOANWAWUHRJLJ-GMAHTHKFSA-N 1 0 395.503 3.843 20 30 GHEDRO CC#CCC[NH2+]Cc1cc(I)c(Br)cc1F ZINC001205137246 1033272275 /nfs/dbraw/zinc/27/22/75/1033272275.db2.gz SPHTZHXBFGRBHO-UHFFFAOYSA-N 1 0 396.041 3.696 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2N2CCC(O)CC2)C1 ZINC001138763082 1025324385 /nfs/dbraw/zinc/32/43/85/1025324385.db2.gz SHMGUTZAWKCLPT-QFIPXVFZSA-N 1 0 391.515 3.563 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000838801014 1025374322 /nfs/dbraw/zinc/37/43/22/1025374322.db2.gz CJMVTJDNAJGRSG-RMKNXTFCSA-N 1 0 388.511 3.740 20 30 GHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898296 1025427019 /nfs/dbraw/zinc/42/70/19/1025427019.db2.gz YIJMEMZBHCDNNS-GOEBONIOSA-N 1 0 388.468 3.592 20 30 GHEDRO COc1cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ccc1C#N ZINC000832302312 1025427717 /nfs/dbraw/zinc/42/77/17/1025427717.db2.gz OINHACRNAIBLTB-KRWDZBQOSA-N 1 0 391.393 3.618 20 30 GHEDRO COc1cccc([C@@H](CNc2nccc(Oc3cccc(C#N)c3)n2)[NH+](C)C)c1 ZINC001161923351 1025497449 /nfs/dbraw/zinc/49/74/49/1025497449.db2.gz AQFOEKSSUMUMFL-HXUWFJFHSA-N 1 0 389.459 3.864 20 30 GHEDRO COc1cccc(C2(Nc3nc(C#N)c(Cl)cc3Cl)CC[NH2+]CC2)c1 ZINC001161997065 1025529418 /nfs/dbraw/zinc/52/94/18/1025529418.db2.gz CGJPZRCRWZDZFV-UHFFFAOYSA-N 1 0 377.275 3.959 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(NCC3(c4cccnc4)CC[NH2+]CC3)nn2)cc1 ZINC001162033248 1025552947 /nfs/dbraw/zinc/55/29/47/1025552947.db2.gz OECVSTXMROBXKN-NRFANRHFSA-N 1 0 398.514 3.569 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+](CCOC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139031305 1025800196 /nfs/dbraw/zinc/80/01/96/1025800196.db2.gz ULACZUCQEBGHNE-LJQANCHMSA-N 1 0 390.524 3.709 20 30 GHEDRO N#CC1(c2ccc(-n3cc(CC[NH3+])c4c3cccc4Cl)nc2)CCOCC1 ZINC001162658499 1025856724 /nfs/dbraw/zinc/85/67/24/1025856724.db2.gz DIEMZDMQQBDNED-UHFFFAOYSA-N 1 0 380.879 3.752 20 30 GHEDRO Cc1ccnc(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)c1C#N ZINC001162676059 1025868487 /nfs/dbraw/zinc/86/84/87/1025868487.db2.gz HWHLNALEMCZKHC-UHFFFAOYSA-N 1 0 390.487 3.591 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C2 ZINC001139116283 1025924980 /nfs/dbraw/zinc/92/49/80/1025924980.db2.gz DVBJEDHDERZUPC-NQIIRXRSSA-N 1 0 395.927 3.931 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3cc(Cl)cc(Br)c32)CC1 ZINC000839448723 1025937318 /nfs/dbraw/zinc/93/73/18/1025937318.db2.gz HGCXIGDUENBUJY-UHFFFAOYSA-N 1 0 395.728 3.727 20 30 GHEDRO CCOC(=O)COc1ccccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001139136595 1025950070 /nfs/dbraw/zinc/95/00/70/1025950070.db2.gz HLMMDJSYGDIXNS-UHFFFAOYSA-N 1 0 378.472 3.880 20 30 GHEDRO N=C(Nc1nc(Cl)nc2c1C[N@@H+](C1CC1)CC2)c1ccc(C(F)(F)F)cc1 ZINC001163678957 1026280915 /nfs/dbraw/zinc/28/09/15/1026280915.db2.gz WHDPOTKNTWOAPR-UHFFFAOYSA-N 1 0 395.816 3.706 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cn2)cc1 ZINC001139425017 1026296725 /nfs/dbraw/zinc/29/67/25/1026296725.db2.gz XWNTYWBLKWMTLW-VQTJNVASSA-N 1 0 398.466 3.527 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3c(Cl)ccnc3Cl)C2)C1 ZINC001139474860 1026337820 /nfs/dbraw/zinc/33/78/20/1026337820.db2.gz KEZBYZDEZUHNMT-GOSISDBHSA-N 1 0 384.307 3.999 20 30 GHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(-c4ccsc4)nc3)CC2)nc1 ZINC001139503171 1026359080 /nfs/dbraw/zinc/35/90/80/1026359080.db2.gz CWZPLBGBXISAKM-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO C[NH+](C)Cc1cccc(CNc2c(C#N)cnc3cc(Br)ccc32)c1 ZINC001163994941 1026380295 /nfs/dbraw/zinc/38/02/95/1026380295.db2.gz WEZZDFDQTNCKPZ-UHFFFAOYSA-N 1 0 395.304 3.965 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)C1 ZINC001139550618 1026414769 /nfs/dbraw/zinc/41/47/69/1026414769.db2.gz IEHXTIUGKPAFFI-QFIPXVFZSA-N 1 0 380.492 3.687 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)c(OC)c3)C2)C1 ZINC001139611921 1026473971 /nfs/dbraw/zinc/47/39/71/1026473971.db2.gz HFRNLFCOYRVUBD-HXUWFJFHSA-N 1 0 378.900 3.959 20 30 GHEDRO CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001139636509 1026499837 /nfs/dbraw/zinc/49/98/37/1026499837.db2.gz CMLQQRAOWOYHNB-CEXWTWQISA-N 1 0 395.588 3.650 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c1 ZINC001139645883 1026507191 /nfs/dbraw/zinc/50/71/91/1026507191.db2.gz CZKDIONIAFYJSX-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c1 ZINC001139647155 1026508430 /nfs/dbraw/zinc/50/84/30/1026508430.db2.gz DFGVFQKMHWQVFM-XMMPIXPASA-N 1 0 391.490 3.755 20 30 GHEDRO CCc1nc(C#N)c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1Cl ZINC001164486477 1026527184 /nfs/dbraw/zinc/52/71/84/1026527184.db2.gz OLGINNQFYCSVHR-SOLBZPMBSA-N 1 0 381.911 3.887 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)[C@@H]1c1ccccc1 ZINC001139702477 1026547179 /nfs/dbraw/zinc/54/71/79/1026547179.db2.gz BTPLGFSYGCMJSC-QFIPXVFZSA-N 1 0 384.483 3.835 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)cc1C#N ZINC001139723830 1026565542 /nfs/dbraw/zinc/56/55/42/1026565542.db2.gz HOGNQNXYAAOSES-GMAHTHKFSA-N 1 0 395.478 3.851 20 30 GHEDRO Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1C#N ZINC001139725302 1026568537 /nfs/dbraw/zinc/56/85/37/1026568537.db2.gz KHVJANAYJHOCSE-RPBOFIJWSA-N 1 0 393.575 3.827 20 30 GHEDRO Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)cc1C#N ZINC001139726370 1026570508 /nfs/dbraw/zinc/57/05/08/1026570508.db2.gz KRTLHUCURDSZJL-FGZHOGPDSA-N 1 0 375.472 3.852 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165087893 1026598975 /nfs/dbraw/zinc/59/89/75/1026598975.db2.gz QNRSVJSHWSDFQJ-DLBZAZTESA-N 1 0 388.849 3.862 20 30 GHEDRO C=CCn1cc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)cn1 ZINC001139769531 1026604143 /nfs/dbraw/zinc/60/41/43/1026604143.db2.gz IAXAVCJWSDIFJQ-UHFFFAOYSA-N 1 0 384.549 3.649 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCN(c3ccc(C#N)cn3)CC2)nc1 ZINC001165099526 1026606767 /nfs/dbraw/zinc/60/67/67/1026606767.db2.gz FJWUXGLFHMQUBM-NRFANRHFSA-N 1 0 390.535 3.612 20 30 GHEDRO COc1cc(N(C)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)ncc1C#N ZINC001165127471 1026622645 /nfs/dbraw/zinc/62/26/45/1026622645.db2.gz UNBOHLHASVTOLY-UHFFFAOYSA-N 1 0 384.483 3.872 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC3(CNc4ccc(Cl)cc43)CC1)C[NH2+]CCC2 ZINC001165240596 1026676858 /nfs/dbraw/zinc/67/68/58/1026676858.db2.gz IPTIHJWPWCUVHK-UHFFFAOYSA-N 1 0 393.922 3.606 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC001139877509 1026693343 /nfs/dbraw/zinc/69/33/43/1026693343.db2.gz MHJAHSBFDHRZKK-IFMALSPDSA-N 1 0 381.451 3.542 20 30 GHEDRO CC(C)(C)OC(=O)NC(=S)C1CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139878887 1026695854 /nfs/dbraw/zinc/69/58/54/1026695854.db2.gz YYOFKYGBPIIGIJ-UHFFFAOYSA-N 1 0 377.485 3.761 20 30 GHEDRO N#Cc1nc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001165479244 1026741649 /nfs/dbraw/zinc/74/16/49/1026741649.db2.gz LORIUPQXYXDLQX-UZLBHIALSA-N 1 0 386.858 3.795 20 30 GHEDRO CC(C)(C)N(c1cc(C#C[Si](C)(C)C)ccn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671762 1026792524 /nfs/dbraw/zinc/79/25/24/1026792524.db2.gz HGUUEYYQZQVXQY-LJQANCHMSA-N 1 0 385.628 3.827 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001140016467 1026798488 /nfs/dbraw/zinc/79/84/88/1026798488.db2.gz LCVTUSLTEIPKKC-QHCPKHFHSA-N 1 0 392.503 3.754 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccccc1-n1ccnc1C)C2 ZINC001140026429 1026815282 /nfs/dbraw/zinc/81/52/82/1026815282.db2.gz YNXZRIFUMLOMKX-DHIUTWEWSA-N 1 0 381.520 3.754 20 30 GHEDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)cc1 ZINC001140116189 1026898413 /nfs/dbraw/zinc/89/84/13/1026898413.db2.gz UZHDIAPNQHKMIK-UHFFFAOYSA-N 1 0 388.471 3.538 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(O)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140127000 1026904289 /nfs/dbraw/zinc/90/42/89/1026904289.db2.gz UIDZVERSHAHICN-OFNKIYASSA-N 1 0 380.463 3.535 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)c(F)c1 ZINC001140136526 1026909348 /nfs/dbraw/zinc/90/93/48/1026909348.db2.gz DWMDHVDYQSABCE-UHFFFAOYSA-N 1 0 383.492 3.887 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C#N)cc3F)CC2)c2ccccc21 ZINC001140137637 1026911460 /nfs/dbraw/zinc/91/14/60/1026911460.db2.gz PZELYYKNOXVHCY-IBGZPJMESA-N 1 0 391.490 3.855 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001140137781 1026912403 /nfs/dbraw/zinc/91/24/03/1026912403.db2.gz YZBVSJRXBXUKEK-HSZRJFAPSA-N 1 0 377.463 3.844 20 30 GHEDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1O ZINC001140180422 1026953243 /nfs/dbraw/zinc/95/32/43/1026953243.db2.gz WOUXDCIBZOGOAR-QHCPKHFHSA-N 1 0 375.472 3.510 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166865067 1027117916 /nfs/dbraw/zinc/11/79/16/1027117916.db2.gz NZFHFXYOGAFDBJ-FQEVSTJZSA-N 1 0 378.476 3.687 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cn(C)c4ncccc34)CC2)C1 ZINC001209744687 1027136842 /nfs/dbraw/zinc/13/68/42/1027136842.db2.gz SAJMCQYEWKMQRG-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO C#CCC[C@@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC001203536166 1027414769 /nfs/dbraw/zinc/41/47/69/1027414769.db2.gz HCIFEODOIHMJPW-GOSISDBHSA-N 1 0 388.305 3.892 20 30 GHEDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cccc(OCc4ccccc4C#N)c3)O2)CO1 ZINC001203720896 1027554336 /nfs/dbraw/zinc/55/43/36/1027554336.db2.gz DMDVANQJYFMMMD-PUZWTLIVSA-N 1 0 392.499 3.953 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001203762998 1027585437 /nfs/dbraw/zinc/58/54/37/1027585437.db2.gz YPUVREDJJZXPFK-QHCPKHFHSA-N 1 0 379.479 3.816 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)cc1 ZINC001203903552 1027695991 /nfs/dbraw/zinc/69/59/91/1027695991.db2.gz IHHTZXSRKVJZJG-DHIUTWEWSA-N 1 0 377.488 3.541 20 30 GHEDRO CSc1nc(C[NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)ccc1C#N ZINC001141937098 1027707351 /nfs/dbraw/zinc/70/73/51/1027707351.db2.gz NFDINTKOVPYNKQ-QGZVFWFLSA-N 1 0 398.576 3.584 20 30 GHEDRO CC[N@@H+](Cc1ccc(C#N)c(SC)n1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141945792 1027726934 /nfs/dbraw/zinc/72/69/34/1027726934.db2.gz MYCBZOMWHZUWNK-HNNXBMFYSA-N 1 0 390.553 3.754 20 30 GHEDRO O=S(=O)(c1ccccc1)n1cc(C[NH+]2CCC(S)CC2)c2ccccc21 ZINC001141966696 1027765062 /nfs/dbraw/zinc/76/50/62/1027765062.db2.gz IINSMPPSRZGBKW-UHFFFAOYSA-N 1 0 386.542 3.773 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(OCC#N)cc1 ZINC000840758270 1027795093 /nfs/dbraw/zinc/79/50/93/1027795093.db2.gz FDWFVHCLQSIHOX-OAHLLOKOSA-N 1 0 387.430 3.555 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(c2cccc(C)c2)CC1)C(C)C ZINC001211211351 1027839997 /nfs/dbraw/zinc/83/99/97/1027839997.db2.gz CWFVRJTZLCBCIL-QFIPXVFZSA-N 1 0 384.568 3.525 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC001211221090 1027842745 /nfs/dbraw/zinc/84/27/45/1027842745.db2.gz AKQGGQQLCFCMAB-GGAORHGYSA-N 1 0 398.595 3.601 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(Cl)n1 ZINC001142130726 1028212805 /nfs/dbraw/zinc/21/28/05/1028212805.db2.gz CVRBSKVJZWYGIH-OAQYLSRUSA-N 1 0 380.879 3.544 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1c(C#N)cccc1C(F)(F)F ZINC001213898329 1028438819 /nfs/dbraw/zinc/43/88/19/1028438819.db2.gz IDLLWNBOYZIMEQ-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C[NH+]1CCN(c2cnccc2-c2nc(-c3ccc(C#N)c4ccccc34)no2)CC1 ZINC001214268985 1028638230 /nfs/dbraw/zinc/63/82/30/1028638230.db2.gz USGJEJKZRHEPFL-UHFFFAOYSA-N 1 0 396.454 3.575 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc3nn(C)cc31)CC2 ZINC001142445361 1028932576 /nfs/dbraw/zinc/93/25/76/1028932576.db2.gz WLVOXGMYKKTKNJ-UHFFFAOYSA-N 1 0 382.508 3.574 20 30 GHEDRO CCN(CC)C(=O)c1cccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1F ZINC001215008913 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OOYCTUUQHAXXDB-RDGATRHJSA-N 1 0 398.510 3.878 20 30 GHEDRO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2Cl)C1 ZINC000843408322 1029980740 /nfs/dbraw/zinc/98/07/40/1029980740.db2.gz YTSWKFLYARHVNI-OAHLLOKOSA-N 1 0 394.910 3.780 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(F)c(OC)c1F)CC2 ZINC001143303786 1030007387 /nfs/dbraw/zinc/00/73/87/1030007387.db2.gz ABGNBQYPXFDIGZ-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843457378 1030023828 /nfs/dbraw/zinc/02/38/28/1030023828.db2.gz LLDQNAWVLCOCDY-UHFFFAOYSA-N 1 0 394.397 3.644 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC001461626339 1069646028 /nfs/dbraw/zinc/64/60/28/1069646028.db2.gz DCKPGXORXQHDCB-OAHLLOKOSA-N 1 0 397.357 3.985 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3c[nH]c(Br)c3)CC2)C1=O ZINC001276751054 1030115386 /nfs/dbraw/zinc/11/53/86/1030115386.db2.gz ROKIZWNVKQZZLJ-GOSISDBHSA-N 1 0 380.330 3.558 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCCOc2ccccc2C#N)O1 ZINC001222424678 1030123179 /nfs/dbraw/zinc/12/31/79/1030123179.db2.gz VMUZKHFPKIJNEH-OAQYLSRUSA-N 1 0 380.488 3.633 20 30 GHEDRO C=CCCSCC[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001461616399 1069642185 /nfs/dbraw/zinc/64/21/85/1069642185.db2.gz JCDGYNBBZHVHED-UHFFFAOYSA-N 1 0 395.569 3.736 20 30 GHEDRO Cc1cc(-c2noc(-c3cccc(CN4CCC[N@@H+](C)CC4)c3)n2)ccc1C#N ZINC001217100518 1030163906 /nfs/dbraw/zinc/16/39/06/1030163906.db2.gz UMYWHGIFZVMFIL-UHFFFAOYSA-N 1 0 387.487 3.721 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)cnc3C)CC2)C1=O ZINC001276849937 1030352026 /nfs/dbraw/zinc/35/20/26/1030352026.db2.gz BFVUNLLOWXLVPF-LJQANCHMSA-N 1 0 392.341 3.543 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217715335 1030624089 /nfs/dbraw/zinc/62/40/89/1030624089.db2.gz WKYIYDTUFXSSMS-GBESFXJTSA-N 1 0 378.863 3.978 20 30 GHEDRO CC(C)(C)OC(=O)c1ccccc1-c1ccc(CO[C@@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC001217829821 1030658073 /nfs/dbraw/zinc/65/80/73/1030658073.db2.gz APAAWYXDOVBHGK-WIYYLYMNSA-N 1 0 378.472 3.937 20 30 GHEDRO C[C@H](Oc1ccccc1/C=N/CC/N=C/c1ccccc1O)C1CC[NH2+]CC1 ZINC001218007633 1030719809 /nfs/dbraw/zinc/71/98/09/1030719809.db2.gz XGEDVFGHMSVQIG-CNLGGPBSSA-N 1 0 379.504 3.697 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@H]1CCO[C@]12CC[NH2+]C2 ZINC001218138692 1030792964 /nfs/dbraw/zinc/79/29/64/1030792964.db2.gz PTCQPSYUGHNORG-REWPJTCUSA-N 1 0 384.520 3.941 20 30 GHEDRO COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001218201166 1030825779 /nfs/dbraw/zinc/82/57/79/1030825779.db2.gz PKBWUIYRYVHHSJ-WVDRJWPYSA-N 1 0 399.535 3.574 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 ZINC001218201062 1030826241 /nfs/dbraw/zinc/82/62/41/1030826241.db2.gz JZPZKWNAGVAAMO-DIFFPNOSSA-N 1 0 376.243 3.736 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(C)c(C)cc1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001218203954 1030827568 /nfs/dbraw/zinc/82/75/68/1030827568.db2.gz KKIYDUKTJHMNGW-DOHLAZSCSA-N 1 0 379.456 3.908 20 30 GHEDRO C=C[C@@H](CCCCC)Oc1nc2ccc(C(=O)CCN3CC[NH2+]CC3)cc2o1 ZINC001218212185 1030832805 /nfs/dbraw/zinc/83/28/05/1030832805.db2.gz KQLBXOHTDJVAEH-SFHVURJKSA-N 1 0 385.508 3.820 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c1 ZINC001218250359 1030854033 /nfs/dbraw/zinc/85/40/33/1030854033.db2.gz LYWSDWKCYKHNBB-QFUCXCTJSA-N 1 0 391.467 3.918 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308238 1030884316 /nfs/dbraw/zinc/88/43/16/1030884316.db2.gz GCHJSOWLGZXXBL-FAGWJSQMSA-N 1 0 391.515 3.984 20 30 GHEDRO C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3ccc4c(n3)CC[NH2+]CC4)[C@@H]12 ZINC001218318450 1030891685 /nfs/dbraw/zinc/89/16/85/1030891685.db2.gz XQNBDVIKHOAKRI-GDXZIDHASA-N 1 0 394.515 3.525 20 30 GHEDRO C=CC[C@H](CCCC)Oc1nc2ccc(C(=O)CCN3CC[NH2+]CC3)cc2o1 ZINC001218438354 1030937181 /nfs/dbraw/zinc/93/71/81/1030937181.db2.gz KIABKPCDPROYLN-GOSISDBHSA-N 1 0 385.508 3.820 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218470170 1030951065 /nfs/dbraw/zinc/95/10/65/1030951065.db2.gz ZLMGXLFLYPWXSF-IOMROCGXSA-N 1 0 391.467 3.776 20 30 GHEDRO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC001218482636 1030955302 /nfs/dbraw/zinc/95/53/02/1030955302.db2.gz BVSQNGSZGKTSAS-LNPZFRPDSA-N 1 0 381.472 3.977 20 30 GHEDRO N#CC1(NC(=O)c2cc3ccc(Cl)nc3[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001151760446 1030993819 /nfs/dbraw/zinc/99/38/19/1030993819.db2.gz UQWVASXETIEUPI-UHFFFAOYSA-N 1 0 393.878 3.504 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001224470232 1031019656 /nfs/dbraw/zinc/01/96/56/1031019656.db2.gz COTTYVUTXWDIDQ-UHFFFAOYSA-N 1 0 390.531 3.654 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1cc(-c2ccc(Cl)s2)on1 ZINC001218778929 1031078241 /nfs/dbraw/zinc/07/82/41/1031078241.db2.gz CTVPPYHQEWUBSX-ZDUSSCGKSA-N 1 0 386.864 3.827 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@]2([NH3+])CCc3cc(F)ccc3C2)ccc1N1CCCCC1 ZINC001218943845 1031168243 /nfs/dbraw/zinc/16/82/43/1031168243.db2.gz CLAANWPHUHOODZ-HSZRJFAPSA-N 1 0 392.478 3.513 20 30 GHEDRO CCc1cc(NC(=O)C2(Cc3ccccn3)CC[NH2+]CC2)cc(CC)c1C#N ZINC001219112539 1031258330 /nfs/dbraw/zinc/25/83/30/1031258330.db2.gz KYOVYTJAYHVRRX-UHFFFAOYSA-N 1 0 376.504 3.629 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001219271998 1031335339 /nfs/dbraw/zinc/33/53/39/1031335339.db2.gz ZIEQFFQAIZUXHF-GOSISDBHSA-N 1 0 379.460 3.613 20 30 GHEDRO COC(=O)c1cccc(-c2cccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3C#N)c2)c1 ZINC001219332356 1031362836 /nfs/dbraw/zinc/36/28/36/1031362836.db2.gz DLKQYJHKROKTDN-QFIPXVFZSA-N 1 0 399.450 3.520 20 30 GHEDRO C#CC[C@]1(C(=O)N(c2ccc(N)cc2)c2ccc3ccccc3c2N)CCC[NH2+]1 ZINC001219474088 1031445668 /nfs/dbraw/zinc/44/56/68/1031445668.db2.gz NSBQPLZNAWGGQW-XMMPIXPASA-N 1 0 384.483 3.814 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001225513529 1031449700 /nfs/dbraw/zinc/44/97/00/1031449700.db2.gz UULVHEOUJGTWNX-VXKWHMMOSA-N 1 0 379.479 3.945 20 30 GHEDRO COc1ccc2c(c1OC1CCCC1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC001225825669 1031633747 /nfs/dbraw/zinc/63/37/47/1031633747.db2.gz WLWYFKJGDXRXCG-NXMSCROESA-N 1 0 397.515 3.634 20 30 GHEDRO COc1ncc(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1C#N ZINC001220040469 1031753824 /nfs/dbraw/zinc/75/38/24/1031753824.db2.gz SLTKYALMYRRZDJ-UHFFFAOYSA-N 1 0 393.491 3.515 20 30 GHEDRO C[C@@H](NC(=O)NC(C)(C)Cc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001226058726 1031763495 /nfs/dbraw/zinc/76/34/95/1031763495.db2.gz XQELYEVZDMTEIJ-YLJYHZDGSA-N 1 0 382.552 3.832 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N(C)CCC[N@H+](C)Cc3ccco3)cc2n1 ZINC001220157854 1031806753 /nfs/dbraw/zinc/80/67/53/1031806753.db2.gz YJBAUGPGOYWXQZ-UHFFFAOYSA-N 1 0 381.480 3.801 20 30 GHEDRO C=C(C)n1c2ccccc2nc1O[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001226215635 1031857983 /nfs/dbraw/zinc/85/79/83/1031857983.db2.gz BAPBXWYCJFAXJW-IRXDYDNUSA-N 1 0 398.507 3.599 20 30 GHEDRO N#Cc1cc(Br)cnc1O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001226285853 1031900116 /nfs/dbraw/zinc/90/01/16/1031900116.db2.gz VWXYDGOPFOLPGX-MRXNPFEDSA-N 1 0 390.256 3.898 20 30 GHEDRO CC(C)(C)OC(=O)c1ccc(Br)cc1O[C@H](CC#N)C[N+](C)(C)C ZINC001229145276 1033307182 /nfs/dbraw/zinc/30/71/82/1033307182.db2.gz SVRFZOIXDSHUGR-CQSZACIVSA-N 1 0 398.321 3.772 20 30 GHEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccc1/C=N/CC/N=C/c1ccccc1O)C2 ZINC001229380254 1033449387 /nfs/dbraw/zinc/44/93/87/1033449387.db2.gz JPECFWYKGUDRRK-ITGXOCJCSA-N 1 0 391.515 3.934 20 30 GHEDRO COc1ccc2oc(-c3ccccc3)c(O[C@H](CC#N)C[N+](C)(C)C)c(=O)c2c1 ZINC001229408291 1033465276 /nfs/dbraw/zinc/46/52/76/1033465276.db2.gz GEUPIZMFXODACI-GOSISDBHSA-N 1 0 393.463 3.836 20 30 GHEDRO CCOC(=O)CCc1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001229517897 1033535162 /nfs/dbraw/zinc/53/51/62/1033535162.db2.gz JNEPRIUMIMWGOC-JOCHJYFZSA-N 1 0 378.472 3.707 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[N@H+](CC)C3)c(C#N)c2)nc1C ZINC001229533937 1033543854 /nfs/dbraw/zinc/54/38/54/1033543854.db2.gz PLVHQHSMCWYJBW-INIZCTEOSA-N 1 0 385.489 3.640 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)N[C@H]3C[NH2+]CC[C@H]3F)cnc2Cl)cc1 ZINC001157451953 1033598614 /nfs/dbraw/zinc/59/86/14/1033598614.db2.gz WLDWFCGTBGCBLT-CVEARBPZSA-N 1 0 380.801 3.613 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001157475854 1033609810 /nfs/dbraw/zinc/60/98/10/1033609810.db2.gz NIURTRMBGXJHLU-FQEVSTJZSA-N 1 0 383.883 3.906 20 30 GHEDRO N#Cc1c2c(cnc1-c1cccc(N3CC[NH2+]CC3)c1)CCN2Cc1ccccc1 ZINC001205895293 1033624770 /nfs/dbraw/zinc/62/47/70/1033624770.db2.gz WXVRTTPYBCBMIU-UHFFFAOYSA-N 1 0 395.510 3.593 20 30 GHEDRO Cc1ncn(-c2nc3cc(F)c(F)cc3c(Cl)c2C#N)c1CSCC[NH3+] ZINC001157967421 1033840841 /nfs/dbraw/zinc/84/08/41/1033840841.db2.gz OZPPZODITFBTIM-UHFFFAOYSA-N 1 0 393.850 3.724 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c(F)c1F ZINC001157973966 1033847061 /nfs/dbraw/zinc/84/70/61/1033847061.db2.gz VXIRELGWFONZMF-AWEZNQCLSA-N 1 0 378.369 3.758 20 30 GHEDRO C=CC[N@H+]1CCc2c(Cl)c(OC3COC3)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001230088966 1033893639 /nfs/dbraw/zinc/89/36/39/1033893639.db2.gz MSZATTHTOKMONN-LJQANCHMSA-N 1 0 385.891 3.999 20 30 GHEDRO N#Cc1ccc(-c2ccncc2)nc1N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158168230 1033949234 /nfs/dbraw/zinc/94/92/34/1033949234.db2.gz SZFVYXORHPBHKR-MEMLXQNLSA-N 1 0 384.487 3.687 20 30 GHEDRO N#Cc1c(Cl)cc(Cl)nc1N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158172580 1033951420 /nfs/dbraw/zinc/95/14/20/1033951420.db2.gz IZDHMHYEAABQIZ-HDJSIYSDSA-N 1 0 376.291 3.932 20 30 GHEDRO COc1cc(N(c2ncccc2C#C[Si](C)(C)C)C2CC[NH2+]CC2)ccn1 ZINC001158331044 1034026286 /nfs/dbraw/zinc/02/62/86/1034026286.db2.gz BCDXRKRSYLIPRN-UHFFFAOYSA-N 1 0 380.568 3.604 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1C#N ZINC001207104545 1034095354 /nfs/dbraw/zinc/09/53/54/1034095354.db2.gz UECIOXACESOUAJ-RTBURBONSA-N 1 0 386.540 3.756 20 30 GHEDRO C=CCN(CC[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1)C(=O)OC(C)(C)C ZINC001207203524 1034170708 /nfs/dbraw/zinc/17/07/08/1034170708.db2.gz HELFGXMQZSATGE-MRXNPFEDSA-N 1 0 378.517 3.796 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1-n1cc(CC[NH3+])c2ncccc21 ZINC001158753992 1034262065 /nfs/dbraw/zinc/26/20/65/1034262065.db2.gz OBPNDLXZYSPRDG-UHFFFAOYSA-N 1 0 383.789 3.878 20 30 GHEDRO COC(=O)Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC001231029711 1034350215 /nfs/dbraw/zinc/35/02/15/1034350215.db2.gz DRFLZWBBFVKXCO-QFIPXVFZSA-N 1 0 392.499 3.953 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159010330 1034378324 /nfs/dbraw/zinc/37/83/24/1034378324.db2.gz IYBYBRRVCTYPDC-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO N#Cc1ccc(C(F)(F)N2CCC3(CC2)[NH2+]CCc2ccccc23)nc1Cl ZINC001159008047 1034378523 /nfs/dbraw/zinc/37/85/23/1034378523.db2.gz KJXDBPVBNGYOOT-UHFFFAOYSA-N 1 0 388.849 3.793 20 30 GHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001207493748 1034398115 /nfs/dbraw/zinc/39/81/15/1034398115.db2.gz RUJLTZYILYMMPA-INIZCTEOSA-N 1 0 377.533 3.685 20 30 GHEDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC001159140038 1034445470 /nfs/dbraw/zinc/44/54/70/1034445470.db2.gz JRXWGVNCEBXHGB-RBBKRZOGSA-N 1 0 383.536 3.829 20 30 GHEDRO COc1ccc(CCC[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001207579565 1034461523 /nfs/dbraw/zinc/46/15/23/1034461523.db2.gz GTFPOMVRQPVLSX-XMMPIXPASA-N 1 0 389.499 3.628 20 30 GHEDRO C[Si](C)(C)C#Cc1ncccc1Nc1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001159167709 1034462570 /nfs/dbraw/zinc/46/25/70/1034462570.db2.gz OQKQRNWJFOJURL-UHFFFAOYSA-N 1 0 390.563 3.627 20 30 GHEDRO N#Cc1ccc(N[C@@H]2CCC[N@@H+](CCc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC001207632050 1034498388 /nfs/dbraw/zinc/49/83/88/1034498388.db2.gz WCPDGYPQTNMGTK-QGZVFWFLSA-N 1 0 390.409 3.971 20 30 GHEDRO N#Cc1cnn(-c2ccc(Cl)cc2)c1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159267554 1034512821 /nfs/dbraw/zinc/51/28/21/1034512821.db2.gz CVWFQPSALFAFII-UHFFFAOYSA-N 1 0 378.867 3.551 20 30 GHEDRO N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159274346 1034518297 /nfs/dbraw/zinc/51/82/97/1034518297.db2.gz JKDKBGXKMUDSNL-UHFFFAOYSA-N 1 0 392.894 3.546 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1N(CC1CC[NH2+]CC1)c1ncccc1N ZINC001159334148 1034549761 /nfs/dbraw/zinc/54/97/61/1034549761.db2.gz SCXILESYTOQGCJ-UHFFFAOYSA-N 1 0 375.398 3.692 20 30 GHEDRO N#Cc1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)c(OC(F)(F)F)c1 ZINC001159495729 1034619930 /nfs/dbraw/zinc/61/99/30/1034619930.db2.gz BGVWGQOIOHAYKC-UHFFFAOYSA-N 1 0 376.382 3.606 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2)c1ccccc1 ZINC001207903515 1034646200 /nfs/dbraw/zinc/64/62/00/1034646200.db2.gz LVZJWGIMJZUSGO-HYBUGGRVSA-N 1 0 390.531 3.676 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2)c1ccccc1 ZINC001207903514 1034646762 /nfs/dbraw/zinc/64/67/62/1034646762.db2.gz LVZJWGIMJZUSGO-GBXCKJPGSA-N 1 0 390.531 3.676 20 30 GHEDRO Cc1nc(Cl)nc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c1C#N ZINC001159562023 1034666021 /nfs/dbraw/zinc/66/60/21/1034666021.db2.gz PNGGSGQDSOULSW-BXNZUYAZSA-N 1 0 381.911 3.943 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1CN(Cc1ccc(OC(C)C)nc1)CC2 ZINC001231535600 1034691259 /nfs/dbraw/zinc/69/12/59/1034691259.db2.gz VWONTKCOPSSNOH-UHFFFAOYSA-N 1 0 396.535 3.736 20 30 GHEDRO COc1ccc(C(F)(F)F)cc1Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001159743310 1034730804 /nfs/dbraw/zinc/73/08/04/1034730804.db2.gz ZPDSOKGXZWMUKF-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO CCCCCCC/C=C/C[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001208118089 1034746106 /nfs/dbraw/zinc/74/61/06/1034746106.db2.gz CZTUDOPCNVYNFN-SHBDEGQCSA-N 1 0 392.584 3.633 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](NC(=O)c3cccnc3)[C@H]3OCCC[C@H]3C2)CC1 ZINC001208175271 1034774237 /nfs/dbraw/zinc/77/42/37/1034774237.db2.gz RHDCUMQJIJLVCH-PNJWGLBASA-N 1 0 395.547 3.593 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC001231619593 1034777367 /nfs/dbraw/zinc/77/73/67/1034777367.db2.gz NXJXCXJHZAAPPD-NRFANRHFSA-N 1 0 389.499 3.547 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)c1 ZINC001231623080 1034783442 /nfs/dbraw/zinc/78/34/42/1034783442.db2.gz TUTMLEBQGLJWNZ-UHFFFAOYSA-N 1 0 398.528 3.711 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)c(O)c3)CC2)C1=O ZINC001277548513 1034821243 /nfs/dbraw/zinc/82/12/43/1034821243.db2.gz QIOSEQSDOKDPPQ-LJQANCHMSA-N 1 0 393.325 3.545 20 30 GHEDRO CSc1nc2ncnc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2s1 ZINC001160107734 1034863473 /nfs/dbraw/zinc/86/34/73/1034863473.db2.gz ZRRVMFCVEITMQK-UHFFFAOYSA-N 1 0 396.545 3.778 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2c3ccccc3OC[C@@H]2C[NH3+])cc1F ZINC001160199963 1034899650 /nfs/dbraw/zinc/89/96/50/1034899650.db2.gz MSLYDHHLAMGCIP-ZDUSSCGKSA-N 1 0 395.825 3.666 20 30 GHEDRO N#Cc1cc(Br)c(F)cc1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001160250023 1034917052 /nfs/dbraw/zinc/91/70/52/1034917052.db2.gz MTECBEXAAJZRLF-UHFFFAOYSA-N 1 0 389.272 3.609 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001231817918 1034927494 /nfs/dbraw/zinc/92/74/94/1034927494.db2.gz OMHWTDVVBUIDSH-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)cc1 ZINC001231820389 1034928489 /nfs/dbraw/zinc/92/84/89/1034928489.db2.gz ZOZJUYGEXZRYOI-UHFFFAOYSA-N 1 0 393.535 3.565 20 30 GHEDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231822173 1034930278 /nfs/dbraw/zinc/93/02/78/1034930278.db2.gz WKWOAZVTAMJAIX-NRFANRHFSA-N 1 0 383.536 3.982 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1 ZINC001160748680 1035054358 /nfs/dbraw/zinc/05/43/58/1035054358.db2.gz ZNQAQKPOBRDDRS-QWHCGFSZSA-N 1 0 397.788 3.746 20 30 GHEDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](CCCc4cccc(C#N)c4)C3)C2)n1 ZINC001208850117 1035057096 /nfs/dbraw/zinc/05/70/96/1035057096.db2.gz XMQMJPPPAZPMPS-RPWUZVMVSA-N 1 0 391.515 3.645 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1 ZINC001208852417 1035058095 /nfs/dbraw/zinc/05/80/95/1035058095.db2.gz JODGIGBXGZCZGT-RUZDIDTESA-N 1 0 385.511 3.891 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC001208851685 1035058236 /nfs/dbraw/zinc/05/82/36/1035058236.db2.gz IWXHUNLYXJEVAV-JOCHJYFZSA-N 1 0 377.488 3.588 20 30 GHEDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208862422 1035064371 /nfs/dbraw/zinc/06/43/71/1035064371.db2.gz YJSUFXHFJXDGTL-QHCPKHFHSA-N 1 0 387.527 3.971 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2ccc(C#N)cc2)Cc2cnn(CC3CC3)c21 ZINC001208861558 1035064513 /nfs/dbraw/zinc/06/45/13/1035064513.db2.gz MIJVTTBYYAPSNR-JOCHJYFZSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CC2)COCCN(c2nccs2)C3)cc1 ZINC001208861262 1035064747 /nfs/dbraw/zinc/06/47/47/1035064747.db2.gz GTOWOXWNSSKVIT-UHFFFAOYSA-N 1 0 396.560 3.566 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2)C(F)(F)F ZINC001208893349 1035078285 /nfs/dbraw/zinc/07/82/85/1035078285.db2.gz IOIUQTIBOVFBSA-VQIMIIECSA-N 1 0 381.442 3.675 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)NCc3ccccc3C[NH3+])c(Cl)nn2)cc1 ZINC001160911890 1035091564 /nfs/dbraw/zinc/09/15/64/1035091564.db2.gz FPAYLXVSPFXYEO-UHFFFAOYSA-N 1 0 399.832 3.966 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)cc1 ZINC001208926092 1035091723 /nfs/dbraw/zinc/09/17/23/1035091723.db2.gz AMAHPZDGCUUIRJ-ZEQRLZLVSA-N 1 0 391.515 3.584 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)NCc3ccccc3C[NH3+])c(Cl)nn2)c1 ZINC001160912824 1035091818 /nfs/dbraw/zinc/09/18/18/1035091818.db2.gz VFSTZOUJSSDLPM-UHFFFAOYSA-N 1 0 399.832 3.966 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)cc1Cl ZINC001232113414 1035102490 /nfs/dbraw/zinc/10/24/90/1035102490.db2.gz UZKQMLJIMXRNEK-UHFFFAOYSA-N 1 0 385.895 3.672 20 30 GHEDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C1 ZINC001160993833 1035114465 /nfs/dbraw/zinc/11/44/65/1035114465.db2.gz DTMCQAJJCAGVDI-PMOQBDJRSA-N 1 0 387.527 3.733 20 30 GHEDRO C=CCN(CC[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1)C(=O)OCC ZINC001209020651 1035152378 /nfs/dbraw/zinc/15/23/78/1035152378.db2.gz MWBLBNSBFHELSV-UHFFFAOYSA-N 1 0 391.899 3.699 20 30 GHEDRO C=CCOCc1nn(C)c2c1C[N@@H+](CCc1cccc(C(F)(F)F)c1)CC2 ZINC001209116896 1035181012 /nfs/dbraw/zinc/18/10/12/1035181012.db2.gz QQHKTMQYWHEOAR-UHFFFAOYSA-N 1 0 379.426 3.742 20 30 GHEDRO C=CCN(C(=O)[C@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC001161248453 1035191878 /nfs/dbraw/zinc/19/18/78/1035191878.db2.gz ZSUBBVNUGYIIRM-AVRDEDQJSA-N 1 0 381.520 3.854 20 30 GHEDRO C=CCCC[NH+]1CCC2(CC1)C[C@H](CC(=O)NCCOC)c1ccccc1O2 ZINC001209158026 1035195188 /nfs/dbraw/zinc/19/51/88/1035195188.db2.gz JRSPHPJWLHKIKB-IBGZPJMESA-N 1 0 386.536 3.506 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161488820 1035239943 /nfs/dbraw/zinc/23/99/43/1035239943.db2.gz GZLKFRZINVLMJE-QFIPXVFZSA-N 1 0 381.605 3.953 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(NC3(Cc4ccccn4)CC[NH2+]CC3)nn2)cc1 ZINC001161491304 1035240909 /nfs/dbraw/zinc/24/09/09/1035240909.db2.gz JZMLLNIDHJDXFL-OAQYLSRUSA-N 1 0 398.514 3.612 20 30 GHEDRO C=CCCCCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC)[C@H]2CC1 ZINC001209425116 1035271950 /nfs/dbraw/zinc/27/19/50/1035271950.db2.gz ZUURJTIMNAIAAU-OALUTQOASA-N 1 0 392.565 3.669 20 30 GHEDRO C=CCCCCC[N@@H+]1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 ZINC001209422481 1035272140 /nfs/dbraw/zinc/27/21/40/1035272140.db2.gz BXJIMBUNSPUVMA-DFQSSKMNSA-N 1 0 376.566 3.633 20 30 GHEDRO C=CCCCCCCC[N@@H+]1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001209439070 1035274303 /nfs/dbraw/zinc/27/43/03/1035274303.db2.gz HVZHGPKSTYVDEV-QHCPKHFHSA-N 1 0 398.551 3.835 20 30 GHEDRO C=CCCCCCCC[NH+]1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C ZINC001209441800 1035274918 /nfs/dbraw/zinc/27/49/18/1035274918.db2.gz MQFGNZRZLVQVQT-IBGZPJMESA-N 1 0 388.556 3.533 20 30 GHEDRO C=CCCCCCC[NH+]1CCC([C@H](NC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001209441625 1035275156 /nfs/dbraw/zinc/27/51/56/1035275156.db2.gz XYHGGNAOHFKTJX-SFHVURJKSA-N 1 0 382.545 3.901 20 30 GHEDRO CC(C)OCCNc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001161788428 1035302597 /nfs/dbraw/zinc/30/25/97/1035302597.db2.gz XFGDMMGILCCANH-UHFFFAOYSA-N 1 0 378.520 3.976 20 30 GHEDRO N#Cc1cc(C(F)(F)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cnc1Cl ZINC001161884975 1035321916 /nfs/dbraw/zinc/32/19/16/1035321916.db2.gz DWVVVZDHRNIAME-KRWDZBQOSA-N 1 0 376.838 3.910 20 30 GHEDRO C[NH+]1CCN(CCNc2ccc(-c3ccc(C#Cc4ccccc4)cc3)cn2)CC1 ZINC001241568783 1035626938 /nfs/dbraw/zinc/62/69/38/1035626938.db2.gz SXGSCHZJCPFMCY-UHFFFAOYSA-N 1 0 396.538 3.808 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001242119225 1035818554 /nfs/dbraw/zinc/81/85/54/1035818554.db2.gz PKYUYCLRNMDRAY-GOSISDBHSA-N 1 0 378.476 3.688 20 30 GHEDRO N#Cc1cc(Cl)cc(-c2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)c1 ZINC001242570034 1035924187 /nfs/dbraw/zinc/92/41/87/1035924187.db2.gz BPNDIILMCRLAGE-UHFFFAOYSA-N 1 0 394.906 3.974 20 30 GHEDRO COc1ccc(COc2cc(C#N)cc(-c3ncnc4c3C[N@H+](C)CC4)c2)cc1 ZINC001242769893 1035955227 /nfs/dbraw/zinc/95/52/27/1035955227.db2.gz RKQALLMXODTTEB-UHFFFAOYSA-N 1 0 386.455 3.591 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1-c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001243334538 1036116818 /nfs/dbraw/zinc/11/68/18/1036116818.db2.gz AWSGZFOTWZFLJP-GOSISDBHSA-N 1 0 380.492 3.934 20 30 GHEDRO CC[NH+](CC)Cc1ccccc1-c1nc2ccccc2nc1[C@@H](C#N)C(=O)OC ZINC001243338150 1036119389 /nfs/dbraw/zinc/11/93/89/1036119389.db2.gz CFDYSDOXBWVILC-GOSISDBHSA-N 1 0 388.471 3.919 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(Br)cnc1C)CC2 ZINC001248779825 1036140568 /nfs/dbraw/zinc/14/05/68/1036140568.db2.gz YTUWOZWMRZECOC-LJQANCHMSA-N 1 0 392.341 3.686 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2cccc([C@H](C#N)C(=O)OC(C)(C)C)n2)c1 ZINC001243749563 1036267426 /nfs/dbraw/zinc/26/74/26/1036267426.db2.gz SNTLZSLLJRGDIO-SFHVURJKSA-N 1 0 381.476 3.638 20 30 GHEDRO CC(C)(C)C(=O)Nc1ccnc(C2=CC[C@H](C#N)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001243795231 1036283651 /nfs/dbraw/zinc/28/36/51/1036283651.db2.gz GCJHHUUGKMMGAD-DLBZAZTESA-N 1 0 396.535 3.587 20 30 GHEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001462094473 1069991307 /nfs/dbraw/zinc/99/13/07/1069991307.db2.gz XWAUJTIPGJCILJ-PGRDOPGGSA-N 1 0 377.488 3.639 20 30 GHEDRO N#Cc1cc(-c2ccc(N)c(OC(F)(F)F)c2)ccc1OC1CC[NH2+]CC1 ZINC001244265743 1036454140 /nfs/dbraw/zinc/45/41/40/1036454140.db2.gz DXVPFAJGTVTKFU-UHFFFAOYSA-N 1 0 377.366 3.837 20 30 GHEDRO N#Cc1c(C#N)c(C2=CC[C@H]([NH+]3CCOCC3)CC2)nc2c1CCCCCC2 ZINC001245418016 1036915464 /nfs/dbraw/zinc/91/54/64/1036915464.db2.gz HGMURVMHEKGVTO-SFHVURJKSA-N 1 0 376.504 3.752 20 30 GHEDRO CCCCCCCCC[N@H+]1C[C@H]2CN(C(=O)Cc3ccsc3)C[C@@H](C1)O2 ZINC001278436274 1037242022 /nfs/dbraw/zinc/24/20/22/1037242022.db2.gz CGBIXCZPYSJYAV-BGYRXZFFSA-N 1 0 378.582 3.953 20 30 GHEDRO N#C[C@H]1CNCCN1C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246594816 1037493345 /nfs/dbraw/zinc/49/33/45/1037493345.db2.gz RXWISUFLFFCJHE-STEQJIOHSA-N 1 0 388.559 3.797 20 30 GHEDRO C#CCOc1ccc(-c2nc3cccc(F)c3n2C2CC[NH2+]CC2)cc1OC ZINC001247029352 1037850002 /nfs/dbraw/zinc/85/00/02/1037850002.db2.gz PYNGYCYBZVLDJB-UHFFFAOYSA-N 1 0 379.435 3.788 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(O)c3ncccc13)[C@H]2CC ZINC001232273654 1037998666 /nfs/dbraw/zinc/99/86/66/1037998666.db2.gz DVPZXLBZLDSWFW-REWPJTCUSA-N 1 0 379.504 3.862 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(OCC)nc3C)CC2)C1 ZINC001232307509 1038059544 /nfs/dbraw/zinc/05/95/44/1038059544.db2.gz DNTZSHFMNNLZCE-UHFFFAOYSA-N 1 0 387.524 3.789 20 30 GHEDRO N#Cc1ccc(-c2noc([C@@H](c3ccco3)N3CCC([NH3+])CC3)n2)c2ccccc12 ZINC001247312938 1038104936 /nfs/dbraw/zinc/10/49/36/1038104936.db2.gz CHYSMEQLPVDBTQ-OAQYLSRUSA-N 1 0 399.454 3.867 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(OCc3ccccc3)no1)C2 ZINC001232447130 1038227714 /nfs/dbraw/zinc/22/77/14/1038227714.db2.gz MSDIMKWGNAMCSF-GGAORHGYSA-N 1 0 398.503 3.827 20 30 GHEDRO COc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001232498802 1038273197 /nfs/dbraw/zinc/27/31/97/1038273197.db2.gz FVGHBQCFJQAUJG-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@H]4C[NH2+]C[C@H]5CCCO[C@H]54)n3)cc2)cc1 ZINC001247650708 1038290918 /nfs/dbraw/zinc/29/09/18/1038290918.db2.gz LRQQQWFHEMAKJO-QHAWAJNXSA-N 1 0 386.455 3.757 20 30 GHEDRO N#Cc1cc(Br)ccc1-c1noc(Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC001247754477 1038363311 /nfs/dbraw/zinc/36/33/11/1038363311.db2.gz MVHRADVEDBLJTI-UHFFFAOYSA-N 1 0 395.260 3.607 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(C4=NO[C@@]5(C4)CCC[NH2+]C5)n3)cc2)cc1 ZINC001247869504 1038437564 /nfs/dbraw/zinc/43/75/64/1038437564.db2.gz XGFIJLFFCWDLHW-JOCHJYFZSA-N 1 0 385.427 3.522 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)[C@H]2CC ZINC001232704183 1038504486 /nfs/dbraw/zinc/50/44/86/1038504486.db2.gz PBEAWKYKNPSIJT-UGKGYDQZSA-N 1 0 388.483 3.534 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)c(C)cc1OC)C2 ZINC001232830617 1038583703 /nfs/dbraw/zinc/58/37/03/1038583703.db2.gz OAUCVVCHOIVSPB-FGZHOGPDSA-N 1 0 375.509 3.586 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)s1 ZINC001232843081 1038593628 /nfs/dbraw/zinc/59/36/28/1038593628.db2.gz IFOLHQSWQKRLLA-RTWAWAEBSA-N 1 0 383.517 3.603 20 30 GHEDRO CC(C)OCC[NH+](CCOC(C)C)Cc1ccc(Br)c(C#N)c1 ZINC001232894856 1038686624 /nfs/dbraw/zinc/68/66/24/1038686624.db2.gz FYCCMDXXLAHGOY-UHFFFAOYSA-N 1 0 383.330 3.973 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(C#N)c1 ZINC001232965221 1038738689 /nfs/dbraw/zinc/73/86/89/1038738689.db2.gz QRLIZKGHILLWJK-HSZRJFAPSA-N 1 0 377.463 3.630 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001233079222 1038846180 /nfs/dbraw/zinc/84/61/80/1038846180.db2.gz AGINKELEMNSNTE-GGAORHGYSA-N 1 0 377.488 3.712 20 30 GHEDRO Cc1cc(C#N)ccc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001233081609 1038850475 /nfs/dbraw/zinc/85/04/75/1038850475.db2.gz IPYVWZTVNSDOBU-RPBOFIJWSA-N 1 0 393.575 3.827 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001233081855 1038853782 /nfs/dbraw/zinc/85/37/82/1038853782.db2.gz RLFFDPPKHLRVLM-UHFFFAOYSA-N 1 0 388.515 3.780 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001233081955 1038854037 /nfs/dbraw/zinc/85/40/37/1038854037.db2.gz WKZCNYBPLOXHHB-JOCHJYFZSA-N 1 0 396.485 3.995 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001252126718 1038873909 /nfs/dbraw/zinc/87/39/09/1038873909.db2.gz SBLIDBMKUUEOSY-MYDTUXCISA-N 1 0 390.568 3.942 20 30 GHEDRO CCN(Cc1ccc(N(C)C)c(C#N)c1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233102209 1038884835 /nfs/dbraw/zinc/88/48/35/1038884835.db2.gz SJNJNUFECCVNKU-FQEVSTJZSA-N 1 0 380.511 3.860 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1 ZINC001252140074 1038888821 /nfs/dbraw/zinc/88/88/21/1038888821.db2.gz YBHQGTTXCMXAMQ-HZPDHXFCSA-N 1 0 388.478 3.775 20 30 GHEDRO C[C@](O)(C[NH2+]C1(C)CCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252309059 1038936842 /nfs/dbraw/zinc/93/68/42/1038936842.db2.gz CCYMNONJHYSTTB-SFHVURJKSA-N 1 0 383.414 3.579 20 30 GHEDRO CCC[C@@H]1CCCC[N@@H+]1C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252320290 1038941380 /nfs/dbraw/zinc/94/13/80/1038941380.db2.gz LESPDMWUJNMMLB-APWZRJJASA-N 1 0 397.441 3.921 20 30 GHEDRO CCC(CC)[N@H+](CC)C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323360 1038942370 /nfs/dbraw/zinc/94/23/70/1038942370.db2.gz XMDSMNWNYQHECZ-SFHVURJKSA-N 1 0 385.430 3.777 20 30 GHEDRO C[C@@](O)(C[NH2+][C@H]1CCCC12CCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252344593 1038948252 /nfs/dbraw/zinc/94/82/52/1038948252.db2.gz GNMXPUDBJSLBIP-FUHWJXTLSA-N 1 0 395.425 3.579 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)cc(C)c3Cl)C2)C1=O ZINC001277774709 1038956166 /nfs/dbraw/zinc/95/61/66/1038956166.db2.gz IWUBSJCOQLZDOJ-FQEVSTJZSA-N 1 0 378.875 3.705 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252619321 1039050321 /nfs/dbraw/zinc/05/03/21/1039050321.db2.gz LEWDYWYJMGKVQK-LJQANCHMSA-N 1 0 392.515 3.969 20 30 GHEDRO C=CCCSCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001252773190 1039165288 /nfs/dbraw/zinc/16/52/88/1039165288.db2.gz WMBPMJUOGHTION-OTWHNJEPSA-N 1 0 375.582 3.989 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001252984007 1039311869 /nfs/dbraw/zinc/31/18/69/1039311869.db2.gz BZOGOYOTLSQICI-CBPXPLCBSA-N 1 0 394.600 3.636 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@@H]2C1 ZINC001252986664 1039313891 /nfs/dbraw/zinc/31/38/91/1039313891.db2.gz WHFJKQZJLJDYDE-YUMYIRISSA-N 1 0 396.616 3.693 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001252986908 1039313978 /nfs/dbraw/zinc/31/39/78/1039313978.db2.gz YERBPFWARCGXHE-JSXRDJHFSA-N 1 0 393.572 3.902 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC2(CCN(CCOC)C2=O)CC1 ZINC001252986741 1039314096 /nfs/dbraw/zinc/31/40/96/1039314096.db2.gz WSAKWBMQCKFOPQ-NRFANRHFSA-N 1 0 396.616 3.839 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@@H](O)COC[C@@H](CC)CCCC)C2 ZINC001252994362 1039322068 /nfs/dbraw/zinc/32/20/68/1039322068.db2.gz AJOSMDNWKUDLNU-QZNHQXDQSA-N 1 0 394.600 3.613 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453078 1039336317 /nfs/dbraw/zinc/33/63/17/1039336317.db2.gz UKYPBLFIOFWGDO-RBUKOAKNSA-N 1 0 385.426 3.985 20 30 GHEDRO C#CCCC[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253223936 1039482325 /nfs/dbraw/zinc/48/23/25/1039482325.db2.gz NKVHKANWPXGEQA-FQEVSTJZSA-N 1 0 376.456 3.556 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001253236438 1039491826 /nfs/dbraw/zinc/49/18/26/1039491826.db2.gz CUPKDMQMTBFJBB-IRLDBZIGSA-N 1 0 398.551 3.676 20 30 GHEDRO CC#C[C@H](CC(=O)OC)c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001233725702 1039568757 /nfs/dbraw/zinc/56/87/57/1039568757.db2.gz IKJAONGPUQCAIU-LJQANCHMSA-N 1 0 378.472 3.799 20 30 GHEDRO CC#C[C@@H](CC(=O)OCC)c1ccc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc1 ZINC001233791091 1039622100 /nfs/dbraw/zinc/62/21/00/1039622100.db2.gz KMOLRQXSFXPPHN-RBBKRZOGSA-N 1 0 399.531 3.769 20 30 GHEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCN(CC(F)F)C2=O)CC1 ZINC001277817353 1039693853 /nfs/dbraw/zinc/69/38/53/1039693853.db2.gz LEBRDTVIVOLHKA-IBGZPJMESA-N 1 0 381.854 3.681 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1ccncn1 ZINC001253613531 1039721772 /nfs/dbraw/zinc/72/17/72/1039721772.db2.gz BROHMOVTHXNECL-JOCHJYFZSA-N 1 0 395.588 3.881 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@@H](C)CCO ZINC001253613899 1039723814 /nfs/dbraw/zinc/72/38/14/1039723814.db2.gz FWJFWQGVHGXUAF-SFTDATJTSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1cnccn1 ZINC001253614087 1039723960 /nfs/dbraw/zinc/72/39/60/1039723960.db2.gz IYLQIYDCURWXPL-QFIPXVFZSA-N 1 0 395.588 3.881 20 30 GHEDRO COc1ccccc1/C=C\C(=O)c1ccccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001234090180 1039828891 /nfs/dbraw/zinc/82/88/91/1039828891.db2.gz NGZGPPMAXWBSRP-FNDLEWIFSA-N 1 0 379.480 3.959 20 30 GHEDRO C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1c(F)cc(C[NH+](C)C)cc1OC ZINC001234237390 1039933165 /nfs/dbraw/zinc/93/31/65/1039933165.db2.gz CUNUPIXQZHGSNN-SFHVURJKSA-N 1 0 394.487 3.840 20 30 GHEDRO CCCCCCCCOC(=O)CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254051281 1039975626 /nfs/dbraw/zinc/97/56/26/1039975626.db2.gz FVBIROKEOKDSEA-UHFFFAOYSA-N 1 0 390.568 3.507 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC001254345379 1040178967 /nfs/dbraw/zinc/17/89/67/1040178967.db2.gz ZQHLJWLOYPGDLF-UHFFFAOYSA-N 1 0 398.526 3.799 20 30 GHEDRO CC[C@@]1(C)c2cc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)ccc2N(C)C1=O ZINC001234708315 1040240328 /nfs/dbraw/zinc/24/03/28/1040240328.db2.gz YBTFBHHWKGSORF-RDPSFJRHSA-N 1 0 389.499 3.856 20 30 GHEDRO N#CC1(NC2CCN(c3ccc(F)cc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254618150 1040390159 /nfs/dbraw/zinc/39/01/59/1040390159.db2.gz GYEYGPOZKXYXSI-UHFFFAOYSA-N 1 0 392.522 3.942 20 30 GHEDRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@H]3CC[C@@H](C#N)C3)ccc12 ZINC001254647096 1040417968 /nfs/dbraw/zinc/41/79/68/1040417968.db2.gz ALHXXNMWQYYEIF-GJYPPUQNSA-N 1 0 381.476 3.737 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(Cc2cccnc2)([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254649631 1040418346 /nfs/dbraw/zinc/41/83/46/1040418346.db2.gz UXBUIOCTCYFZRI-IEBWSBKVSA-N 1 0 384.524 3.676 20 30 GHEDRO CN(C)C(=O)CO[C@@H]1CCC2(CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c2ccccc21 ZINC001254657654 1040423141 /nfs/dbraw/zinc/42/31/41/1040423141.db2.gz DUTOBYAZHMMIDA-CNNODRBYSA-N 1 0 395.547 3.652 20 30 GHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)CC(=O)c2cc(Br)ccc2O3)C1 ZINC001254669149 1040428954 /nfs/dbraw/zinc/42/89/54/1040428954.db2.gz PPRCPBGBTMOHEK-HIFRSBDPSA-N 1 0 389.293 3.941 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235027259 1040518697 /nfs/dbraw/zinc/51/86/97/1040518697.db2.gz ZDXDZHFZCJPCAM-UHFFFAOYSA-N 1 0 398.304 3.908 20 30 GHEDRO CCCCCCCOc1ccc(CN2Cc3ncnn3C3(CC[NH2+]CC3)C2)cc1 ZINC001235142488 1040637651 /nfs/dbraw/zinc/63/76/51/1040637651.db2.gz BMQNIEQLMITKGI-UHFFFAOYSA-N 1 0 397.567 3.722 20 30 GHEDRO CC[C@H](CC#N)N(CCCC[NH3+])S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001255157939 1040877472 /nfs/dbraw/zinc/87/74/72/1040877472.db2.gz ZMTGERNPPFVKDV-MRXNPFEDSA-N 1 0 393.940 3.915 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(F)c1C#N ZINC001235378293 1040893243 /nfs/dbraw/zinc/89/32/43/1040893243.db2.gz CMFHWRWPYROJJH-GBXCKJPGSA-N 1 0 392.522 3.517 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCC[C@@H](C(=O)OCC)C1)CC2 ZINC001255358995 1040960911 /nfs/dbraw/zinc/96/09/11/1040960911.db2.gz YFOURDLNPIAEHU-RTBURBONSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001235502602 1040964539 /nfs/dbraw/zinc/96/45/39/1040964539.db2.gz QXBFKYVAOWJDPA-UYAOXDASSA-N 1 0 375.900 3.790 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)COCC[N@H+](Cc1ccccc1CC#N)C2 ZINC001235514157 1040970961 /nfs/dbraw/zinc/97/09/61/1040970961.db2.gz IILKAMQAQNTJJI-HSZRJFAPSA-N 1 0 399.535 3.602 20 30 GHEDRO COCCC[N@H+](Cc1ccccc1CC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001235528546 1040976399 /nfs/dbraw/zinc/97/63/99/1040976399.db2.gz RDXUANCJLNOMSZ-FQEVSTJZSA-N 1 0 387.524 3.601 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(C(=O)OCc3ccccc3)CC1)C2 ZINC001462522009 1070325823 /nfs/dbraw/zinc/32/58/23/1070325823.db2.gz VCYAICOEMLWXKW-HSZRJFAPSA-N 1 0 389.499 3.664 20 30 GHEDRO N#Cc1ccc(F)c(CN2CC[NH2+][C@H](c3cccc(Br)c3)C2)c1F ZINC001235798559 1041301282 /nfs/dbraw/zinc/30/12/82/1041301282.db2.gz KCDVHKDCPTWZLL-KRWDZBQOSA-N 1 0 392.247 3.745 20 30 GHEDRO CCOc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1F ZINC001235802152 1041310282 /nfs/dbraw/zinc/31/02/82/1041310282.db2.gz VBXNNEMAIFAYKF-QHCPKHFHSA-N 1 0 393.462 3.725 20 30 GHEDRO CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001255882712 1041373724 /nfs/dbraw/zinc/37/37/24/1041373724.db2.gz CJEWRCKDLBTDTA-ATJXCDBQSA-N 1 0 391.500 3.791 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)C1 ZINC001255916825 1041401343 /nfs/dbraw/zinc/40/13/43/1041401343.db2.gz COPXWPFWSKPGON-UYAOXDASSA-N 1 0 385.508 3.801 20 30 GHEDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001236153561 1041575485 /nfs/dbraw/zinc/57/54/85/1041575485.db2.gz NTCZXJNATRYALQ-LJQANCHMSA-N 1 0 384.600 3.906 20 30 GHEDRO C#CCOc1ccc(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)cc1OC ZINC001236392700 1041697005 /nfs/dbraw/zinc/69/70/05/1041697005.db2.gz CYPSHTJTKRDHLW-NRFANRHFSA-N 1 0 382.479 3.601 20 30 GHEDRO CN(C)c1ccc(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)c(F)c1C#N ZINC001236393135 1041697131 /nfs/dbraw/zinc/69/71/31/1041697131.db2.gz CNGSLQBZTWNIGL-LJQANCHMSA-N 1 0 384.474 3.657 20 30 GHEDRO COc1ccc(CN(Cc2cc(F)c(C#N)c(F)c2)C2CC[NH2+]CC2)cc1F ZINC001236515576 1041749205 /nfs/dbraw/zinc/74/92/05/1041749205.db2.gz KFZGNXJLNVJCFC-UHFFFAOYSA-N 1 0 389.421 3.738 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C2 ZINC001256479084 1041754318 /nfs/dbraw/zinc/75/43/18/1041754318.db2.gz SZLOAAPVYYYXPM-ZVVDCOBXSA-N 1 0 394.556 3.601 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnc(Cl)c(C(F)(F)F)c3)C2)C1=O ZINC001236624973 1041789833 /nfs/dbraw/zinc/78/98/33/1041789833.db2.gz BXTFWBVLCSTCGI-QGZVFWFLSA-N 1 0 387.833 3.754 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)cc1Br ZINC001236856940 1041931262 /nfs/dbraw/zinc/93/12/62/1041931262.db2.gz QKSPLYCBCPAINA-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237111490 1042044313 /nfs/dbraw/zinc/04/43/13/1042044313.db2.gz PQKGYHBPJLCEFL-KDOFPFPSSA-N 1 0 387.398 3.617 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237137306 1042059307 /nfs/dbraw/zinc/05/93/07/1042059307.db2.gz NZQLAFQLHWXCKA-IBGZPJMESA-N 1 0 382.426 3.944 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3sc(=O)[nH]c3Cl)CC2)C1 ZINC001237160756 1042071945 /nfs/dbraw/zinc/07/19/45/1042071945.db2.gz JXSLHWHVGZKLDM-UHFFFAOYSA-N 1 0 385.917 3.503 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cnc(-c5ccccc5)o4)C3)CC2=O)c1 ZINC001237364900 1042172551 /nfs/dbraw/zinc/17/25/51/1042172551.db2.gz WOHNZXIOGXQMOU-XMMPIXPASA-N 1 0 398.466 3.842 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3n[nH]c4cc(OC)ccc34)CC2)C1 ZINC001237385619 1042182135 /nfs/dbraw/zinc/18/21/35/1042182135.db2.gz NSDHCTLKUKBQSX-UHFFFAOYSA-N 1 0 398.507 3.572 20 30 GHEDRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3ccnc(C#N)c3)CC2)CC1=O ZINC001237467191 1042220407 /nfs/dbraw/zinc/22/04/07/1042220407.db2.gz YRWCJGKJTYPKGC-UHFFFAOYSA-N 1 0 388.515 3.880 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cn(C)c5ccc(C#N)cc45)C[C@@H]3C2)cc1 ZINC001237467715 1042220476 /nfs/dbraw/zinc/22/04/76/1042220476.db2.gz SOKOPABVDZXAFZ-VXKWHMMOSA-N 1 0 384.527 3.922 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c2cc(C#N)ccc21 ZINC001237471022 1042222864 /nfs/dbraw/zinc/22/28/64/1042222864.db2.gz ZRBPKQDBVZBMHI-JOCHJYFZSA-N 1 0 398.510 3.546 20 30 GHEDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001237489090 1042232377 /nfs/dbraw/zinc/23/23/77/1042232377.db2.gz FBRSMCFZZCDDIC-XMMPIXPASA-N 1 0 391.515 3.691 20 30 GHEDRO C[C@H](c1ccccc1)N(Cc1cn2cc(C#N)ccc2n1)[C@@H]1C[NH+]2CCC1CC2 ZINC001237617814 1042283841 /nfs/dbraw/zinc/28/38/41/1042283841.db2.gz NTYWSURKAGGPFR-WZONZLPQSA-N 1 0 385.515 3.863 20 30 GHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1 ZINC001237750353 1042352616 /nfs/dbraw/zinc/35/26/16/1042352616.db2.gz IJKPTJZQESOTCE-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc(Cl)cc(C#N)c4)C3)CC2=O)c1 ZINC001237756637 1042355399 /nfs/dbraw/zinc/35/53/99/1042355399.db2.gz LUFJHYPPLQNFJI-QFIPXVFZSA-N 1 0 390.874 3.712 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cc(Cl)cc(C#N)c4)CC[N@@H+]3C2)cc1 ZINC001237758142 1042356334 /nfs/dbraw/zinc/35/63/34/1042356334.db2.gz ZWXYTLROKVVESZ-UNMCSNQZSA-N 1 0 381.907 3.858 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cccc(N3CCCCC3)n2)C1 ZINC001238004578 1042455145 /nfs/dbraw/zinc/45/51/45/1042455145.db2.gz RZWGAMCFGAIWEA-NRFANRHFSA-N 1 0 376.504 3.987 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(OC)ccc1C(F)(F)F)CC2 ZINC001238052315 1042475494 /nfs/dbraw/zinc/47/54/94/1042475494.db2.gz PZPVBDMHNHCWDO-UHFFFAOYSA-N 1 0 382.426 3.857 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(C#N)cc4Cl)C3)CC2=O)cc1 ZINC001238082695 1042485457 /nfs/dbraw/zinc/48/54/57/1042485457.db2.gz LPFBKPAINVIQFR-QFIPXVFZSA-N 1 0 395.890 3.849 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(Cl)c(C#N)c4)C3)CC2=O)c1 ZINC001238190391 1042514268 /nfs/dbraw/zinc/51/42/68/1042514268.db2.gz FYBRMBVZSQTBLX-QFIPXVFZSA-N 1 0 390.874 3.712 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)ccc1Cl ZINC001238190179 1042514454 /nfs/dbraw/zinc/51/44/54/1042514454.db2.gz AMBYFXSDSASEGH-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO Cn1ncc2c1CN(Cc1ccc(Cl)c(C#N)c1)C[C@@H]2COc1cccnc1 ZINC001238191641 1042515032 /nfs/dbraw/zinc/51/50/32/1042515032.db2.gz KUGBMDPQURZMGU-QGZVFWFLSA-N 1 0 393.878 3.519 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)ccc1Cl ZINC001238191386 1042515101 /nfs/dbraw/zinc/51/51/01/1042515101.db2.gz RZYGCDLDGHIKLH-JOCHJYFZSA-N 1 0 394.906 3.764 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)ccc1Cl ZINC001238194578 1042515877 /nfs/dbraw/zinc/51/58/77/1042515877.db2.gz PWPZCXUPZZTTMI-UHFFFAOYSA-N 1 0 383.854 3.980 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1cccc(-c3cccs3)n1)CC2 ZINC001238207079 1042518907 /nfs/dbraw/zinc/51/89/07/1042518907.db2.gz CJZQENHMZYTRSB-UHFFFAOYSA-N 1 0 380.517 3.805 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1c(F)ccc(Cl)c1OC)CCC2 ZINC001238337949 1042561047 /nfs/dbraw/zinc/56/10/47/1042561047.db2.gz HEEFTJVCTCSABN-UHFFFAOYSA-N 1 0 379.863 3.793 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C#N)c(OC)c1)CC2 ZINC001238412212 1042587854 /nfs/dbraw/zinc/58/78/54/1042587854.db2.gz FLOOHHLTFOHDRA-UHFFFAOYSA-N 1 0 383.492 3.567 20 30 GHEDRO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC001238414906 1042588720 /nfs/dbraw/zinc/58/87/20/1042588720.db2.gz YSIHTXFKGZCHRW-IFMALSPDSA-N 1 0 378.472 3.878 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cnc(F)c(OC(C)C)c3)C2)C1 ZINC001238605395 1042654722 /nfs/dbraw/zinc/65/47/22/1042654722.db2.gz IYZWJXWWAAGDFK-NRFANRHFSA-N 1 0 391.487 3.618 20 30 GHEDRO C=CCCCC[N@H+]1CCC[C@@]2(CCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC001278269508 1042693660 /nfs/dbraw/zinc/69/36/60/1042693660.db2.gz JKQJQYADDJFBOY-HXUWFJFHSA-N 1 0 378.948 3.597 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1(c2ccccc2OC)CC[NH2+]CC1 ZINC001238816015 1042738087 /nfs/dbraw/zinc/73/80/87/1042738087.db2.gz OWMCMWIJOKNZIZ-UHFFFAOYSA-N 1 0 382.570 3.554 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001239034540 1042760576 /nfs/dbraw/zinc/76/05/76/1042760576.db2.gz YKGIHLPDRAWCPF-HNNXBMFYSA-N 1 0 384.508 3.826 20 30 GHEDRO O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@@H]([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC001239255122 1042798942 /nfs/dbraw/zinc/79/89/42/1042798942.db2.gz VRJCMYOQUWZWFT-UFBFGSQYSA-N 1 0 387.299 3.897 20 30 GHEDRO Cc1ccc2c(c1)C1(C[C@H]2NC(=S)Nc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001239364114 1042813730 /nfs/dbraw/zinc/81/37/30/1042813730.db2.gz UAFPACRXMBPIGM-HXUWFJFHSA-N 1 0 376.529 3.919 20 30 GHEDRO Cc1cccc2c1C1(C[C@H]2NC(=S)Nc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001239375087 1042815950 /nfs/dbraw/zinc/81/59/50/1042815950.db2.gz YPXKWUUNCLYODE-LJQANCHMSA-N 1 0 376.529 3.919 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001239435654 1042829145 /nfs/dbraw/zinc/82/91/45/1042829145.db2.gz YAJYQDIFALFMED-SIKLNZKXSA-N 1 0 376.529 3.508 20 30 GHEDRO CCCCCCCCCCCCNC(=S)N1C[C@H](C(=O)OC)C[C@H]([NH3+])C1 ZINC001239437465 1042829823 /nfs/dbraw/zinc/82/98/23/1042829823.db2.gz YTNOXWQHAUFZDU-MSOLQXFVSA-N 1 0 385.618 3.604 20 30 GHEDRO Cc1sc2nc(CN(C)C)nc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c2c1C ZINC001240342840 1042922323 /nfs/dbraw/zinc/92/23/23/1042922323.db2.gz AKMIQCSWYYTTSE-UHFFFAOYSA-N 1 0 377.517 3.595 20 30 GHEDRO N#Cc1cc(-c2ncccc2C(=O)N2CCc3ccccc32)cc(C2C[NH2+]C2)c1 ZINC001240342909 1042922423 /nfs/dbraw/zinc/92/24/23/1042922423.db2.gz DJJPBWDKQJRZGK-UHFFFAOYSA-N 1 0 380.451 3.510 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(-c3ccc(C[NH+]4CCN(C)CC4)cc3)nn2)cc1 ZINC001240388021 1042925163 /nfs/dbraw/zinc/92/51/63/1042925163.db2.gz VHOGGMFBQLPZDR-QHCPKHFHSA-N 1 0 397.526 3.855 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C1)C[NH+]1CCCCC1 ZINC001291154853 1043113632 /nfs/dbraw/zinc/11/36/32/1043113632.db2.gz GTGVCLFZRYCOTK-RBUKOAKNSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001291763996 1043448472 /nfs/dbraw/zinc/44/84/72/1043448472.db2.gz AACSVRKFNPHURK-QZTJIDSGSA-N 1 0 380.540 3.783 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256540578 1043490367 /nfs/dbraw/zinc/49/03/67/1043490367.db2.gz GOLVQZKMCZPQQX-CTNGQTDRSA-N 1 0 394.563 3.534 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCN(Cc3ccccc3)CC1)C2 ZINC001256605983 1043571084 /nfs/dbraw/zinc/57/10/84/1043571084.db2.gz LYLCQIFACWKCSR-ZEQRLZLVSA-N 1 0 384.564 3.725 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CCc4c(cccc4OC)C3)C2)C1 ZINC001256644674 1043590958 /nfs/dbraw/zinc/59/09/58/1043590958.db2.gz YLAHAEJKQRYMSF-XXBNENTESA-N 1 0 384.520 3.663 20 30 GHEDRO C=C(C)C(=O)OCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001256933969 1043759282 /nfs/dbraw/zinc/75/92/82/1043759282.db2.gz DYUGILJJFCTMDD-RTBURBONSA-N 1 0 388.508 3.836 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C[C@@H]1c1ccccc1 ZINC001256947161 1043767437 /nfs/dbraw/zinc/76/74/37/1043767437.db2.gz FIKODHWFINJVKA-NHCUHLMSSA-N 1 0 398.551 3.658 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2ccccc2C[NH2+]C2CCC(C#N)CC2)CC1 ZINC001256960005 1043774298 /nfs/dbraw/zinc/77/42/98/1043774298.db2.gz WNJCSVNNFQPABR-UHFFFAOYSA-N 1 0 398.551 3.916 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccncc2)C2CCC(C#N)CC2)C1 ZINC001256971036 1043778242 /nfs/dbraw/zinc/77/82/42/1043778242.db2.gz BETSOTVZXNAGGD-LYBXBRPPSA-N 1 0 384.524 3.975 20 30 GHEDRO COC(=O)c1ccc([C@H](CO)[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001257016228 1043801247 /nfs/dbraw/zinc/80/12/47/1043801247.db2.gz YQDUGKDSASOBNI-UDJZJCJKSA-N 1 0 378.472 3.694 20 30 GHEDRO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257022123 1043805617 /nfs/dbraw/zinc/80/56/17/1043805617.db2.gz GNLNYVNAEIRVBR-LZBANZJXSA-N 1 0 383.536 3.544 20 30 GHEDRO C=CCOCc1nn([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](CC)C2)c2c1C[NH2+]C2 ZINC001257127998 1043874843 /nfs/dbraw/zinc/87/48/43/1043874843.db2.gz ATHKWXUTAWBITI-CVEARBPZSA-N 1 0 390.528 3.540 20 30 GHEDRO CC(C)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CCN1C(=O)OC(C)(C)C ZINC001257193772 1043929530 /nfs/dbraw/zinc/92/95/30/1043929530.db2.gz RMBUJOVUQNXQGC-IKGGRYGDSA-N 1 0 380.554 3.685 20 30 GHEDRO CCCCCCCCCC[C@H](C)[N@@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001257550765 1044035897 /nfs/dbraw/zinc/03/58/97/1044035897.db2.gz TYZFTJBBDZOAHO-UNMCSNQZSA-N 1 0 382.589 3.855 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001293423733 1044169219 /nfs/dbraw/zinc/16/92/19/1044169219.db2.gz DWQFTNILBJWTKY-HXUWFJFHSA-N 1 0 378.524 3.681 20 30 GHEDRO C=C1C[C@@H]2CC([N@H+]3C[C@H]4c5ccccc5N(S(C)(=O)=O)C[C@@H]4C3)C[C@H](C1)C2 ZINC001257893396 1044248747 /nfs/dbraw/zinc/24/87/47/1044248747.db2.gz RDUYHXACXDGUEV-SKIQGGRSSA-N 1 0 386.561 3.617 20 30 GHEDRO N#Cc1ccc(Cl)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)c1 ZINC001279067291 1044328970 /nfs/dbraw/zinc/32/89/70/1044328970.db2.gz GJEVWJVLYPAUGW-OKILXGFUSA-N 1 0 385.817 3.843 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CCC(CC(=O)OCC)CC3)C2)C1 ZINC001258030185 1044355192 /nfs/dbraw/zinc/35/51/92/1044355192.db2.gz VVTVKPBIBTZNBY-AJTFCVKESA-N 1 0 392.540 3.609 20 30 GHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](CO)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001258043222 1044368019 /nfs/dbraw/zinc/36/80/19/1044368019.db2.gz MPMJELRFIFOJSR-APWZRJJASA-N 1 0 388.508 3.739 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001258046748 1044369010 /nfs/dbraw/zinc/36/90/10/1044369010.db2.gz DHADALGDDANFKV-KNQAVFIVSA-N 1 0 379.589 3.575 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001258046752 1044369357 /nfs/dbraw/zinc/36/93/57/1044369357.db2.gz DHADALGDDANFKV-UGKGYDQZSA-N 1 0 379.589 3.575 20 30 GHEDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc(-c4ccc(C#N)cc4)o3)o2)C[C@H](C)O1 ZINC001258133103 1044417758 /nfs/dbraw/zinc/41/77/58/1044417758.db2.gz VWSITGFUADUMBA-GASCZTMLSA-N 1 0 378.432 3.520 20 30 GHEDRO CCCCCCCCC[C@@H](C)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001258227975 1044477621 /nfs/dbraw/zinc/47/76/21/1044477621.db2.gz BVGMUZCFSMZZAM-MRXNPFEDSA-N 1 0 385.574 3.611 20 30 GHEDRO CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001258224134 1044477651 /nfs/dbraw/zinc/47/76/51/1044477651.db2.gz AMDQNJPSDRFDLL-UYAOXDASSA-N 1 0 392.588 3.704 20 30 GHEDRO CCCCCCCCC[C@H](C)n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2 ZINC001258228490 1044479240 /nfs/dbraw/zinc/47/92/40/1044479240.db2.gz HVHLTFBDFLMBKY-KRWDZBQOSA-N 1 0 376.545 3.660 20 30 GHEDRO CCCCCCCCC[C@H](C)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001258228992 1044479441 /nfs/dbraw/zinc/47/94/41/1044479441.db2.gz LSOYRTSWRDOWIW-NRFANRHFSA-N 1 0 389.632 3.975 20 30 GHEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 ZINC001258728913 1044734391 /nfs/dbraw/zinc/73/43/91/1044734391.db2.gz RKMZMELZDOSKCE-ILZDJORESA-N 1 0 396.984 3.921 20 30 GHEDRO C=CCC[C@H](C)[NH+]1CCC(c2cc3c(ncn3C)c(-c3cnn(C)c3)n2)CC1 ZINC001258728681 1044734828 /nfs/dbraw/zinc/73/48/28/1044734828.db2.gz PSICLAXTEUWOJK-INIZCTEOSA-N 1 0 378.524 3.903 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(C3CCCC3)nnc2N2CCC(C#N)CC2)CC1 ZINC001294658988 1044753161 /nfs/dbraw/zinc/75/31/61/1044753161.db2.gz TZXIPGZSMIMKLD-UHFFFAOYSA-N 1 0 384.572 3.798 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)C[C@H]1C ZINC001295985192 1045208659 /nfs/dbraw/zinc/20/86/59/1045208659.db2.gz QMRTWDDAFYIKSO-SJORKVTESA-N 1 0 378.524 3.536 20 30 GHEDRO CC[C@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)CCN1Cc1ccccc1 ZINC001296190833 1045278588 /nfs/dbraw/zinc/27/85/88/1045278588.db2.gz URDHAYMXBLTRNT-IBGZPJMESA-N 1 0 383.442 3.773 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 ZINC001297378598 1045506220 /nfs/dbraw/zinc/50/62/20/1045506220.db2.gz IXYUBBBGFPWEEC-UHFFFAOYSA-N 1 0 381.520 3.857 20 30 GHEDRO C[NH+](C)C1(Cn2c(N(CCC#N)CC3CC3)nnc2C(C)(C)C)CCCCC1 ZINC001298051738 1045687865 /nfs/dbraw/zinc/68/78/65/1045687865.db2.gz IUZJNLIJMPHPFV-UHFFFAOYSA-N 1 0 386.588 3.970 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001298284091 1045764719 /nfs/dbraw/zinc/76/47/19/1045764719.db2.gz ZEWMFDNQWUMKDJ-UHFFFAOYSA-N 1 0 380.540 3.570 20 30 GHEDRO COc1ccc2c(c1F)C/C(=C\c1ccc(N3CCN(C)CC3)c(F)c1)C2=O ZINC001261147721 1045909087 /nfs/dbraw/zinc/90/90/87/1045909087.db2.gz GKJXEYBWLZJUQQ-RVDMUPIBSA-N 1 0 384.426 3.548 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)[NH+](CC)CC)cc1 ZINC001298681094 1045917395 /nfs/dbraw/zinc/91/73/95/1045917395.db2.gz DKMOLFCXAPDHAV-OAQYLSRUSA-N 1 0 392.499 3.529 20 30 GHEDRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1cccc(C#CCO)c1 ZINC001299800751 1046042390 /nfs/dbraw/zinc/04/23/90/1046042390.db2.gz FCCXRRIDXIXIHW-UHFFFAOYSA-N 1 0 394.540 3.861 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC001261658855 1046055705 /nfs/dbraw/zinc/05/57/05/1046055705.db2.gz SBRXOOVNMQEGSL-VQTJNVASSA-N 1 0 380.467 3.677 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001300899525 1046231704 /nfs/dbraw/zinc/23/17/04/1046231704.db2.gz FHTHYODZVBVDBT-OAQYLSRUSA-N 1 0 383.540 3.835 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300919179 1046240773 /nfs/dbraw/zinc/24/07/73/1046240773.db2.gz XZAVNRFELCDAJL-HXUWFJFHSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001300922022 1046244932 /nfs/dbraw/zinc/24/49/32/1046244932.db2.gz VAZRPXXWJOQDIC-IAGOWNOFSA-N 1 0 399.963 3.546 20 30 GHEDRO C=C1CCN(c2nnc(COCC)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301097102 1046339782 /nfs/dbraw/zinc/33/97/82/1046339782.db2.gz OMWOLBYRUICJMC-WOJBJXKFSA-N 1 0 389.588 3.729 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001301119450 1046356096 /nfs/dbraw/zinc/35/60/96/1046356096.db2.gz JDCCBGVIKMADLO-LJQANCHMSA-N 1 0 394.567 3.863 20 30 GHEDRO C=CC1CCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCCC2)CC1 ZINC001301127892 1046360598 /nfs/dbraw/zinc/36/05/98/1046360598.db2.gz XDPAXMFNBPZJDJ-UHFFFAOYSA-N 1 0 379.552 3.676 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301146126 1046372283 /nfs/dbraw/zinc/37/22/83/1046372283.db2.gz SCUHMLMITVVQFA-ROUUACIJSA-N 1 0 382.556 3.559 20 30 GHEDRO C=CCn1c(-c2c(C)n[nH]c2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001262933602 1046431639 /nfs/dbraw/zinc/43/16/39/1046431639.db2.gz VOTUNHYSKGRSLC-UHFFFAOYSA-N 1 0 397.571 3.563 20 30 GHEDRO C=CCCOCCn1c(CC)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001301258243 1046434281 /nfs/dbraw/zinc/43/42/81/1046434281.db2.gz OCBCCFYUDUXVBZ-HXUWFJFHSA-N 1 0 389.588 3.526 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001301287338 1046455401 /nfs/dbraw/zinc/45/54/01/1046455401.db2.gz ZHGJJUXXDAUCIK-LJQANCHMSA-N 1 0 397.567 3.944 20 30 GHEDRO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301305882 1046467565 /nfs/dbraw/zinc/46/75/65/1046467565.db2.gz RZGYPLFYJVTRGT-UXHICEINSA-N 1 0 381.568 3.806 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001262982142 1046468027 /nfs/dbraw/zinc/46/80/27/1046468027.db2.gz ZVSYHDWMTQDKFV-LJQANCHMSA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001262982141 1046468277 /nfs/dbraw/zinc/46/82/77/1046468277.db2.gz ZVSYHDWMTQDKFV-IBGZPJMESA-N 1 0 387.572 3.797 20 30 GHEDRO C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001301310553 1046473758 /nfs/dbraw/zinc/47/37/58/1046473758.db2.gz RGNUHRGRPFQGGM-LEWJYISDSA-N 1 0 395.551 3.589 20 30 GHEDRO C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001262998878 1046482568 /nfs/dbraw/zinc/48/25/68/1046482568.db2.gz JXOUALNKBMLHTN-UHFFFAOYSA-N 1 0 384.528 3.616 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCCOC2)n1CC1([NH+](C)C)CCCCC1)C1CC1 ZINC001301326700 1046489798 /nfs/dbraw/zinc/48/97/98/1046489798.db2.gz GPBGUFSNXVGCEE-SFHVURJKSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC001301326498 1046490414 /nfs/dbraw/zinc/49/04/14/1046490414.db2.gz AXFSNYCAIRWODP-TZIWHRDSSA-N 1 0 395.551 3.548 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001301339907 1046501086 /nfs/dbraw/zinc/50/10/86/1046501086.db2.gz ALIYPPKDZPMKAO-JOCHJYFZSA-N 1 0 390.535 3.668 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001301384225 1046519404 /nfs/dbraw/zinc/51/94/04/1046519404.db2.gz NGFNUHNDIJVYBG-JOCHJYFZSA-N 1 0 397.592 3.869 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001301444446 1046547573 /nfs/dbraw/zinc/54/75/73/1046547573.db2.gz BJDREBNEYHICJS-UHFFFAOYSA-N 1 0 389.906 3.988 20 30 GHEDRO C=CCSCCn1c(C2CCCC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301611516 1046622713 /nfs/dbraw/zinc/62/27/13/1046622713.db2.gz DHPNRKXIFPWXLN-SFHVURJKSA-N 1 0 375.586 3.529 20 30 GHEDRO [NH3+]CC[C@@H]1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC001263213294 1046639130 /nfs/dbraw/zinc/63/91/30/1046639130.db2.gz RZXMZMCFDSRETO-SNVBAGLBSA-N 1 0 386.311 3.787 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC[C@H]1CC ZINC001263278495 1046671545 /nfs/dbraw/zinc/67/15/45/1046671545.db2.gz KWVMPRZDXPSAIH-UYAOXDASSA-N 1 0 387.572 3.939 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CC2CC1(C)C2 ZINC001263304766 1046702815 /nfs/dbraw/zinc/70/28/15/1046702815.db2.gz JUYQJMMVQBVHIX-KJFKNKMQSA-N 1 0 377.536 3.656 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263327299 1046715029 /nfs/dbraw/zinc/71/50/29/1046715029.db2.gz KEMSOPCSQHUDNI-OALUTQOASA-N 1 0 382.556 3.569 20 30 GHEDRO C=C(C)Cn1c(CCOCC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001263341179 1046723818 /nfs/dbraw/zinc/72/38/18/1046723818.db2.gz FTTWOJREDSSPDX-VQTJNVASSA-N 1 0 389.588 3.524 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001301958778 1046761994 /nfs/dbraw/zinc/76/19/94/1046761994.db2.gz HMKLYGIREWPCDB-LSDHHAIUSA-N 1 0 386.931 3.677 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2CC2CC2)CC1)CC1CC1 ZINC001263740211 1047082001 /nfs/dbraw/zinc/08/20/01/1047082001.db2.gz LTVHZMHZGODOIW-NHCUHLMSSA-N 1 0 396.583 3.654 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(C#N)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001302872389 1047158944 /nfs/dbraw/zinc/15/89/44/1047158944.db2.gz NZWKKJQNKSHSSE-UHFFFAOYSA-N 1 0 386.588 3.873 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(F)(F)F ZINC001303271340 1047333240 /nfs/dbraw/zinc/33/32/40/1047333240.db2.gz NHXFWJMQYFJMKQ-UHFFFAOYSA-N 1 0 394.445 3.546 20 30 GHEDRO CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001303581952 1047439509 /nfs/dbraw/zinc/43/95/09/1047439509.db2.gz FVHVRNKTLQOTHW-LEWJYISDSA-N 1 0 392.551 3.954 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303628185 1047454679 /nfs/dbraw/zinc/45/46/79/1047454679.db2.gz UPKBIODKVYEVPL-HOTGVXAUSA-N 1 0 398.942 3.821 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CCC[NH+]1CCCC1 ZINC001303630553 1047456998 /nfs/dbraw/zinc/45/69/98/1047456998.db2.gz ZMFRWECIBGQJLP-QGZVFWFLSA-N 1 0 392.507 3.916 20 30 GHEDRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1)[N@H+](C)C1CC1 ZINC001303700876 1047485715 /nfs/dbraw/zinc/48/57/15/1047485715.db2.gz UBDDWSDDBHVIBR-OAHLLOKOSA-N 1 0 398.942 3.821 20 30 GHEDRO CC(C)c1nnc(N2CCC(C)(C#N)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923648 1047809594 /nfs/dbraw/zinc/80/95/94/1047809594.db2.gz DOLXUAGTDUZVRF-KDURUIRLSA-N 1 0 386.588 3.900 20 30 GHEDRO C[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001304961063 1047822932 /nfs/dbraw/zinc/82/29/32/1047822932.db2.gz NPMXTEFOLWGLIB-MOPGFXCFSA-N 1 0 390.535 3.703 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCC2)C1 ZINC001305046808 1047855526 /nfs/dbraw/zinc/85/55/26/1047855526.db2.gz JQNQRYWHOJMNKO-LJQANCHMSA-N 1 0 392.551 3.929 20 30 GHEDRO C#CCCC[NH+]1CC2(C[C@H]2C(=O)Nc2c(F)cc(Cl)cc2Br)C1 ZINC001279750378 1047942160 /nfs/dbraw/zinc/94/21/60/1047942160.db2.gz WARMBDGBEZPOJT-LBPRGKRZSA-N 1 0 399.691 3.915 20 30 GHEDRO C#CCCC[NH+]1CCC2(C[C@H]2C(=O)Nc2ncc(C)cc2Br)CC1 ZINC001279750569 1047942191 /nfs/dbraw/zinc/94/21/91/1047942191.db2.gz FSIZMVBBHVGXLO-HNNXBMFYSA-N 1 0 390.325 3.607 20 30 GHEDRO C=CCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1nccn1C ZINC001279831686 1047962801 /nfs/dbraw/zinc/96/28/01/1047962801.db2.gz MMDPLAJWOCSKQX-KRWDZBQOSA-N 1 0 376.570 3.693 20 30 GHEDRO CCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)NCCc1ccccn1 ZINC001279865214 1047972694 /nfs/dbraw/zinc/97/26/94/1047972694.db2.gz RVXXEQXHYJNZRR-IBGZPJMESA-N 1 0 375.582 3.518 20 30 GHEDRO CC(C)C[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001280245829 1048145781 /nfs/dbraw/zinc/14/57/81/1048145781.db2.gz VQJIMCWNHJFQHR-MRXNPFEDSA-N 1 0 389.590 3.901 20 30 GHEDRO CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001305582066 1048154195 /nfs/dbraw/zinc/15/41/95/1048154195.db2.gz PGEVSUXXERRRPY-UZLBHIALSA-N 1 0 380.540 3.639 20 30 GHEDRO CC[C@H](c1nnc(N(C)C[C@H](C)C#N)n1CCC[NH+]1CCCC1)c1ccccc1 ZINC001305656715 1048204724 /nfs/dbraw/zinc/20/47/24/1048204724.db2.gz QWYDXUPSEUIBDQ-CTNGQTDRSA-N 1 0 394.567 3.902 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC1)[NH+](C)C ZINC001305707037 1048225962 /nfs/dbraw/zinc/22/59/62/1048225962.db2.gz XUJSBOSEKJDSKH-HXUWFJFHSA-N 1 0 380.540 3.782 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001286279155 1048250149 /nfs/dbraw/zinc/25/01/49/1048250149.db2.gz UAKYRTPADVHFJB-SESVDKBCSA-N 1 0 379.552 3.762 20 30 GHEDRO CC[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C#N)[NH+]1CCCC1 ZINC001305823413 1048253032 /nfs/dbraw/zinc/25/30/32/1048253032.db2.gz OBYCZXGAYYYCNH-IAGOWNOFSA-N 1 0 384.503 3.554 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286284794 1048254438 /nfs/dbraw/zinc/25/44/38/1048254438.db2.gz FXJHZRPSXYJEIR-NQIIRXRSSA-N 1 0 390.535 3.814 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@@H+](C)C(C)C ZINC001286286426 1048255123 /nfs/dbraw/zinc/25/51/23/1048255123.db2.gz XZHHHXDGPYKINI-KRWDZBQOSA-N 1 0 378.524 3.615 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[NH+](CC)CC ZINC001286286362 1048255149 /nfs/dbraw/zinc/25/51/49/1048255149.db2.gz XAYZIVIZAVXQHI-GOSISDBHSA-N 1 0 392.551 3.627 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CCC[N@@H+](C)C(C)C ZINC001286288729 1048257291 /nfs/dbraw/zinc/25/72/91/1048257291.db2.gz JPVVJHUDXXHNEZ-SFHVURJKSA-N 1 0 390.535 3.682 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001286288890 1048257581 /nfs/dbraw/zinc/25/75/81/1048257581.db2.gz KEYMVADMJALJIF-KRWDZBQOSA-N 1 0 391.544 3.523 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001286367696 1048292725 /nfs/dbraw/zinc/29/27/25/1048292725.db2.gz DCXRRKXREVAYPQ-IBGZPJMESA-N 1 0 379.552 3.841 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001286403212 1048304495 /nfs/dbraw/zinc/30/44/95/1048304495.db2.gz IICSWQAEEUJYJB-FQEVSTJZSA-N 1 0 395.938 3.546 20 30 GHEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286422779 1048313598 /nfs/dbraw/zinc/31/35/98/1048313598.db2.gz AWTDVCQEAUIWRO-NRFANRHFSA-N 1 0 389.547 3.530 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccccc2OC)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001286440865 1048323178 /nfs/dbraw/zinc/32/31/78/1048323178.db2.gz BMQQCPPDLNCEIS-UHFFFAOYSA-N 1 0 395.551 3.535 20 30 GHEDRO C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001286451315 1048330760 /nfs/dbraw/zinc/33/07/60/1048330760.db2.gz YRVLHAMRWSLJAV-UHFFFAOYSA-N 1 0 397.567 3.521 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286546137 1048357188 /nfs/dbraw/zinc/35/71/88/1048357188.db2.gz GOUBTMUGYKPUCP-AQNXPRMDSA-N 1 0 389.588 3.551 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286546136 1048357599 /nfs/dbraw/zinc/35/75/99/1048357599.db2.gz GOUBTMUGYKPUCP-AABGKKOBSA-N 1 0 389.588 3.551 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001286570712 1048369522 /nfs/dbraw/zinc/36/95/22/1048369522.db2.gz GLRGVBDFYAIJKB-NRFANRHFSA-N 1 0 397.567 3.704 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001286581251 1048374312 /nfs/dbraw/zinc/37/43/12/1048374312.db2.gz NZVQPXGFLAYJST-NRFANRHFSA-N 1 0 381.568 3.920 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286581644 1048375739 /nfs/dbraw/zinc/37/57/39/1048375739.db2.gz SAWNNPLIFACXNK-LJQANCHMSA-N 1 0 397.542 3.895 20 30 GHEDRO C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286631747 1048400007 /nfs/dbraw/zinc/40/00/07/1048400007.db2.gz VYJREKYWOZCQOD-HXUWFJFHSA-N 1 0 399.970 3.880 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCCC2)CC1 ZINC001286643773 1048409868 /nfs/dbraw/zinc/40/98/68/1048409868.db2.gz VPTVATFAPWGSLI-UHFFFAOYSA-N 1 0 381.524 3.596 20 30 GHEDRO C=C1CCN(c2nnc(CCc3ccccc3)n2CC[N@@H+](CC)CCC)CC1 ZINC001286649425 1048417268 /nfs/dbraw/zinc/41/72/68/1048417268.db2.gz UATZAXNPTFWMFT-UHFFFAOYSA-N 1 0 381.568 3.952 20 30 GHEDRO C=CCCCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286697684 1048458662 /nfs/dbraw/zinc/45/86/62/1048458662.db2.gz RQZUJTRBGJFYLV-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001286720842 1048477270 /nfs/dbraw/zinc/47/72/70/1048477270.db2.gz KXOHKKATUNDTLN-QGZVFWFLSA-N 1 0 397.523 3.561 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001286725020 1048481938 /nfs/dbraw/zinc/48/19/38/1048481938.db2.gz XMECQRDXXVDNJC-IBGZPJMESA-N 1 0 383.515 3.647 20 30 GHEDRO C=CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001286738024 1048496979 /nfs/dbraw/zinc/49/69/79/1048496979.db2.gz ZCYLIMWGEIPOBN-NRFANRHFSA-N 1 0 394.567 3.539 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@H](C)CC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286752450 1048505540 /nfs/dbraw/zinc/50/55/40/1048505540.db2.gz XJEDPQYDXWXQET-QRVBRYPASA-N 1 0 389.588 3.858 20 30 GHEDRO Cc1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)ncc1C#N ZINC001306264277 1048527365 /nfs/dbraw/zinc/52/73/65/1048527365.db2.gz ZIFTUMIUUKKWGE-UHFFFAOYSA-N 1 0 384.483 3.920 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCCC2)C1 ZINC001286804269 1048531610 /nfs/dbraw/zinc/53/16/10/1048531610.db2.gz JRUGCFKAANGPGW-FQEVSTJZSA-N 1 0 395.551 3.521 20 30 GHEDRO C=CCSCCn1c(-c2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001286828730 1048538727 /nfs/dbraw/zinc/53/87/27/1048538727.db2.gz AWXMDNKHNDDAKL-PKOBYXMFSA-N 1 0 383.565 3.537 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001286964340 1048556345 /nfs/dbraw/zinc/55/63/45/1048556345.db2.gz HIZVRUFZYAFSMT-KRWDZBQOSA-N 1 0 398.530 3.945 20 30 GHEDRO CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1)[NH+]1CCCC1 ZINC001287157039 1048617495 /nfs/dbraw/zinc/61/74/95/1048617495.db2.gz LRRUESZNRJDBSB-HXUWFJFHSA-N 1 0 378.524 3.536 20 30 GHEDRO CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001306693277 1048820155 /nfs/dbraw/zinc/82/01/55/1048820155.db2.gz GSCXLAGTHPFAKV-IBGZPJMESA-N 1 0 392.551 3.927 20 30 GHEDRO N#Cc1ccc(CCC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC001306904616 1048954140 /nfs/dbraw/zinc/95/41/40/1048954140.db2.gz UFQPEEUEDMMFJB-UHFFFAOYSA-N 1 0 383.495 3.986 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001307043372 1049037291 /nfs/dbraw/zinc/03/72/91/1049037291.db2.gz JNKGDELNMHNOQE-GCJKJVERSA-N 1 0 386.588 3.729 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[NH+]1CCCCC1 ZINC001288508107 1049118568 /nfs/dbraw/zinc/11/85/68/1049118568.db2.gz RDIABDWDVWVYQT-KRWDZBQOSA-N 1 0 392.507 3.916 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21)[NH+](C)C ZINC001288607351 1049158676 /nfs/dbraw/zinc/15/86/76/1049158676.db2.gz PDYRDLDMMOMREZ-IMFGXOCKSA-N 1 0 378.524 3.536 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001307438716 1049275533 /nfs/dbraw/zinc/27/55/33/1049275533.db2.gz NCBUSYHVYJXIGH-LEWJYISDSA-N 1 0 399.535 3.703 20 30 GHEDRO COCC[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)Cc1ccc(C#N)cc1 ZINC001307454040 1049290951 /nfs/dbraw/zinc/29/09/51/1049290951.db2.gz GFPMWJFEJWVASS-UHFFFAOYSA-N 1 0 387.524 3.796 20 30 GHEDRO CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001289122623 1049331361 /nfs/dbraw/zinc/33/13/61/1049331361.db2.gz FWFLSGVZAUDUIM-UHFFFAOYSA-N 1 0 378.524 3.703 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)c1C#N ZINC001307590079 1049428961 /nfs/dbraw/zinc/42/89/61/1049428961.db2.gz LVNDLQODRHRNLL-QGZVFWFLSA-N 1 0 380.467 3.775 20 30 GHEDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2cc(=O)n3ncc(C#N)c3[nH]2)C2CC2)cc1 ZINC001307615197 1049451380 /nfs/dbraw/zinc/45/13/80/1049451380.db2.gz RNIRCTJJVCLMMN-NRFANRHFSA-N 1 0 375.476 3.746 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC001307741541 1049554408 /nfs/dbraw/zinc/55/44/08/1049554408.db2.gz IBLVKBNSHMQTFL-UHFFFAOYSA-N 1 0 386.398 3.966 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Cc4cc(F)ccc4F)CC3)C2=O)cc1 ZINC001307836275 1049623709 /nfs/dbraw/zinc/62/37/09/1049623709.db2.gz JCIQSPRNTWKLBD-JOCHJYFZSA-N 1 0 395.453 3.896 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 ZINC001307878037 1049660725 /nfs/dbraw/zinc/66/07/25/1049660725.db2.gz OPJUMUUZDHUPPT-SJLPKXTDSA-N 1 0 389.337 3.907 20 30 GHEDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC001307893622 1049671807 /nfs/dbraw/zinc/67/18/07/1049671807.db2.gz AWUZEAAFXNFMKZ-MGPUTAFESA-N 1 0 388.556 3.807 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001307926154 1049700189 /nfs/dbraw/zinc/70/01/89/1049700189.db2.gz NXOQLKBTMKNJNZ-XPNTWCBSSA-N 1 0 386.536 3.875 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC001308017067 1049767037 /nfs/dbraw/zinc/76/70/37/1049767037.db2.gz RHZLZVSMFMADMN-HXUWFJFHSA-N 1 0 388.515 3.985 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC001308145051 1049883672 /nfs/dbraw/zinc/88/36/72/1049883672.db2.gz HEXWFRNJKVDUPQ-SJORKVTESA-N 1 0 375.900 3.679 20 30 GHEDRO Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001290739983 1049913978 /nfs/dbraw/zinc/91/39/78/1049913978.db2.gz IKJKYETUIPAOFJ-GOSISDBHSA-N 1 0 392.551 3.892 20 30 GHEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OCC)c1 ZINC001308413462 1049970199 /nfs/dbraw/zinc/97/01/99/1049970199.db2.gz BQJMFQIEQKWHQF-MRXNPFEDSA-N 1 0 391.870 3.931 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1OC ZINC001308505626 1049992702 /nfs/dbraw/zinc/99/27/02/1049992702.db2.gz JPOQOFPKTNNJTB-QGZVFWFLSA-N 1 0 395.927 3.979 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2cc(C#N)ccc2N(C)C)ccc1OC(F)F ZINC001308661213 1050051781 /nfs/dbraw/zinc/05/17/81/1050051781.db2.gz STENCOXNYMNQPD-UHFFFAOYSA-N 1 0 375.419 3.866 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cs1 ZINC001327932247 1050328702 /nfs/dbraw/zinc/32/87/02/1050328702.db2.gz KWZPPSVVDVXQMS-UHFFFAOYSA-N 1 0 382.489 3.687 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccccc1CC#N ZINC001309087001 1050338079 /nfs/dbraw/zinc/33/80/79/1050338079.db2.gz FJAJFIPUFKEXIE-WIYYLYMNSA-N 1 0 397.544 3.599 20 30 GHEDRO CCOc1cccc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c1OC(F)F ZINC001327978471 1050343565 /nfs/dbraw/zinc/34/35/65/1050343565.db2.gz QJAGXWBXURGZQF-UHFFFAOYSA-N 1 0 389.402 3.677 20 30 GHEDRO N#Cc1ccc(COC(=O)CC2([NH+]3CCOCC3)CCCC2)c(C(F)(F)F)c1 ZINC001327977503 1050343795 /nfs/dbraw/zinc/34/37/95/1050343795.db2.gz FOWPSJWFDAOAKD-UHFFFAOYSA-N 1 0 396.409 3.655 20 30 GHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)c1 ZINC001328654494 1050577581 /nfs/dbraw/zinc/57/75/81/1050577581.db2.gz QADBZNXJWMSXDC-UHFFFAOYSA-N 1 0 388.920 3.847 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC001329140882 1050731631 /nfs/dbraw/zinc/73/16/31/1050731631.db2.gz ILPDFLLENOACAL-INIZCTEOSA-N 1 0 386.858 3.548 20 30 GHEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC001329168735 1050739416 /nfs/dbraw/zinc/73/94/16/1050739416.db2.gz MPIBDGDOHDYCIO-GOSISDBHSA-N 1 0 376.298 3.720 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc([C@H]2CCN(c3ccc(C#N)cc3F)C2)o1 ZINC001329222399 1050749407 /nfs/dbraw/zinc/74/94/07/1050749407.db2.gz LHTLMCGLLORLQB-AEFFLSMTSA-N 1 0 397.498 3.910 20 30 GHEDRO N#CC[C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001329997052 1050937361 /nfs/dbraw/zinc/93/73/61/1050937361.db2.gz ZUWBPTYORXAWGW-XCSKNGGISA-N 1 0 380.536 3.907 20 30 GHEDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001310351501 1051303307 /nfs/dbraw/zinc/30/33/07/1051303307.db2.gz ZIYVIXBMAGVYPG-UHFFFAOYSA-N 1 0 381.480 3.987 20 30 GHEDRO C[NH+](C)CCOc1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)cc1 ZINC001331556557 1051324143 /nfs/dbraw/zinc/32/41/43/1051324143.db2.gz XBRGIKHRLSIOLP-UHFFFAOYSA-N 1 0 391.515 3.627 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2ccnc(C#N)c2)C1 ZINC001311070584 1051824379 /nfs/dbraw/zinc/82/43/79/1051824379.db2.gz RMWAPNJFNLIMKB-IRXDYDNUSA-N 1 0 377.492 3.753 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H](CC#N)C(F)(F)F)C1 ZINC001311216355 1051946991 /nfs/dbraw/zinc/94/69/91/1051946991.db2.gz IEOTTZDDEWCZAL-IIDMSEBBSA-N 1 0 396.457 3.808 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H](CC#N)C(F)(F)F)C1 ZINC001311216354 1051947215 /nfs/dbraw/zinc/94/72/15/1051947215.db2.gz IEOTTZDDEWCZAL-DAYGRLMNSA-N 1 0 396.457 3.808 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336273560 1052251343 /nfs/dbraw/zinc/25/13/43/1052251343.db2.gz OVFYEBZSBSPKNO-OFNKIYASSA-N 1 0 395.478 3.779 20 30 GHEDRO C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001336976732 1052372145 /nfs/dbraw/zinc/37/21/45/1052372145.db2.gz RGJFGKFXIJBFQB-QVURBQDSSA-N 1 0 389.902 3.542 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC001311895619 1052462719 /nfs/dbraw/zinc/46/27/19/1052462719.db2.gz RCGITUVXCDYOFG-QFIPXVFZSA-N 1 0 396.510 3.998 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001312128868 1052589251 /nfs/dbraw/zinc/58/92/51/1052589251.db2.gz LKLYIYAWVGZJQH-GCJKJVERSA-N 1 0 376.504 3.577 20 30 GHEDRO CSc1ccc(CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC001312190799 1052626521 /nfs/dbraw/zinc/62/65/21/1052626521.db2.gz JKRAJWZHGPISMM-KRWDZBQOSA-N 1 0 396.560 3.990 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)[C@@H](C)O)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342313563 1053097696 /nfs/dbraw/zinc/09/76/96/1053097696.db2.gz TVRWAGMOQPCMEY-MOPGFXCFSA-N 1 0 389.588 3.573 20 30 GHEDRO C=CCn1c(-c2sc(C)nc2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342384351 1053140283 /nfs/dbraw/zinc/14/02/83/1053140283.db2.gz FBDBGMUAZJUWAP-UHFFFAOYSA-N 1 0 386.569 3.659 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC001342416725 1053158515 /nfs/dbraw/zinc/15/85/15/1053158515.db2.gz VCZXHKYWXLUBBT-LAUBAEHRSA-N 1 0 395.551 3.869 20 30 GHEDRO CC[NH+](CC)[C@H](Cn1c(C2CC2)nnc1N(C)C[C@H](C)C#N)c1ccsc1 ZINC001313673471 1053163703 /nfs/dbraw/zinc/16/37/03/1053163703.db2.gz RUNBOYDRGCRFAA-CRAIPNDOSA-N 1 0 386.569 3.896 20 30 GHEDRO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001313683182 1053167934 /nfs/dbraw/zinc/16/79/34/1053167934.db2.gz ZVEWPTBQLILTDH-UHFFFAOYSA-N 1 0 380.540 3.785 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001342454986 1053179486 /nfs/dbraw/zinc/17/94/86/1053179486.db2.gz LZOABSJODQGYRN-SBHAEUEKSA-N 1 0 399.583 3.797 20 30 GHEDRO CC[NH+](CC)CCCn1c(C(C)C)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC001313711490 1053184895 /nfs/dbraw/zinc/18/48/95/1053184895.db2.gz NFCMAWAVOGKKMB-RTWAWAEBSA-N 1 0 394.567 3.877 20 30 GHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001313714908 1053187037 /nfs/dbraw/zinc/18/70/37/1053187037.db2.gz WHRCEQPEEBHRJL-FPOVZHCZSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccccc2F)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001313809321 1053242262 /nfs/dbraw/zinc/24/22/62/1053242262.db2.gz UJAFVEYPIHHBAX-UHFFFAOYSA-N 1 0 398.530 3.945 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC2(C)CC2)C[C@H]1C ZINC001313867092 1053261697 /nfs/dbraw/zinc/26/16/97/1053261697.db2.gz LDIFOFAHJCHBHO-QZTJIDSGSA-N 1 0 392.551 3.926 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(CC#N)CC1 ZINC001313908952 1053284811 /nfs/dbraw/zinc/28/48/11/1053284811.db2.gz DPKMPMWLBNSANY-HXUWFJFHSA-N 1 0 384.572 3.940 20 30 GHEDRO C=C(C)Cn1c(C(F)F)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001342743433 1053332337 /nfs/dbraw/zinc/33/23/37/1053332337.db2.gz MJXMBSNXTKKEDJ-ZWKOTPCHSA-N 1 0 387.478 3.750 20 30 GHEDRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 ZINC001314658638 1053553044 /nfs/dbraw/zinc/55/30/44/1053553044.db2.gz FWGHMYAKTWALJY-NRFANRHFSA-N 1 0 386.588 3.871 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1[C@@]12CCOC1=CCCCC2 ZINC001343295733 1053684246 /nfs/dbraw/zinc/68/42/46/1053684246.db2.gz QTXIQMHVJOSHGH-QHCPKHFHSA-N 1 0 399.583 3.937 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3[nH]cnc3c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001343296152 1053684544 /nfs/dbraw/zinc/68/45/44/1053684544.db2.gz WJNQFIRYNDYUBA-QGZVFWFLSA-N 1 0 393.539 3.566 20 30 GHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001343349467 1053720918 /nfs/dbraw/zinc/72/09/18/1053720918.db2.gz JEEONIRITAEDHU-LJQANCHMSA-N 1 0 395.551 3.540 20 30 GHEDRO N#CCCCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccs1 ZINC001343527344 1053842428 /nfs/dbraw/zinc/84/24/28/1053842428.db2.gz UATDRLOUQOCRHL-UHFFFAOYSA-N 1 0 398.580 3.689 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2O)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001343599833 1053916101 /nfs/dbraw/zinc/91/61/01/1053916101.db2.gz QZRYMZNTEONIAB-UHFFFAOYSA-N 1 0 389.931 3.847 20 30 GHEDRO C=C(C)Cn1c([C@@H](CC)OCC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001343607332 1053922854 /nfs/dbraw/zinc/92/28/54/1053922854.db2.gz VURQFCNUAFRACI-RTBURBONSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)Cn1c(-c2coc(C)c2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001343699121 1053977242 /nfs/dbraw/zinc/97/72/42/1053977242.db2.gz WYWWUBKDDJYULO-UHFFFAOYSA-N 1 0 399.539 3.504 20 30 GHEDRO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001343920036 1054117253 /nfs/dbraw/zinc/11/72/53/1054117253.db2.gz XGNHOJUQBZXIMJ-FQEVSTJZSA-N 1 0 398.599 3.895 20 30 GHEDRO Cc1cccc2[nH]c([C@H](C#N)C(=O)C=Cc3ccc(OCC[NH+](C)C)cc3)nc21 ZINC001343980734 1054157573 /nfs/dbraw/zinc/15/75/73/1054157573.db2.gz YWTZGFBCSSKDRK-UZRURVBFSA-N 1 0 388.471 3.701 20 30 GHEDRO CC(C)[C@@H]1C[C@@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001344039883 1054205140 /nfs/dbraw/zinc/20/51/40/1054205140.db2.gz ZAIHHICPGIXYMY-SFTDATJTSA-N 1 0 384.520 3.787 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc([C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001345271131 1054968099 /nfs/dbraw/zinc/96/80/99/1054968099.db2.gz LLMBCPMXZCYRBL-FDDCHVKYSA-N 1 0 392.551 3.590 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[NH+](CC)CC ZINC001300446136 1056115510 /nfs/dbraw/zinc/11/55/10/1056115510.db2.gz GJEKWSMISRIHMK-CQSZACIVSA-N 1 0 377.895 3.537 20 30 GHEDRO C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001300602912 1056611466 /nfs/dbraw/zinc/61/14/66/1056611466.db2.gz VNGBLNZJZXGCBG-HKUYNNGSSA-N 1 0 399.514 3.501 20 30 GHEDRO C#CCN(CC)c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300634092 1056736167 /nfs/dbraw/zinc/73/61/67/1056736167.db2.gz TUPOASOMSFXYIY-UHFFFAOYSA-N 1 0 393.579 3.645 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1OC ZINC001200692043 1056746061 /nfs/dbraw/zinc/74/60/61/1056746061.db2.gz NLNZWAOCEVKHAO-HIFRSBDPSA-N 1 0 384.314 3.663 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1OC ZINC001200692044 1056746081 /nfs/dbraw/zinc/74/60/81/1056746081.db2.gz NLNZWAOCEVKHAO-UKRRQHHQSA-N 1 0 384.314 3.663 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300644352 1056756730 /nfs/dbraw/zinc/75/67/30/1056756730.db2.gz ZYZHJIMPMYARGR-IBGZPJMESA-N 1 0 397.542 3.912 20 30 GHEDRO CN1CCN(c2ccc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)cc2F)CC1 ZINC001323331530 1056953878 /nfs/dbraw/zinc/95/38/78/1056953878.db2.gz QKFVSYPVBVHCMT-UHFFFAOYSA-N 1 0 390.506 3.738 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300780129 1057016282 /nfs/dbraw/zinc/01/62/82/1057016282.db2.gz LDDCWVATYONVFJ-SELNLUPBSA-N 1 0 385.600 3.936 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)ccc1C#N ZINC000848550988 1057172246 /nfs/dbraw/zinc/17/22/46/1057172246.db2.gz AZGWHTWLRZYWMC-NSHDSACASA-N 1 0 391.265 3.894 20 30 GHEDRO N#CCc1cccc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)n1 ZINC001325233083 1057295346 /nfs/dbraw/zinc/29/53/46/1057295346.db2.gz WVHRTAZCJSNQSL-UHFFFAOYSA-N 1 0 395.938 3.592 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC2(CCC2)C1 ZINC001355864673 1057298681 /nfs/dbraw/zinc/29/86/81/1057298681.db2.gz ZJYWEFGQJLFWND-IBGZPJMESA-N 1 0 385.556 3.551 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001355874674 1057302094 /nfs/dbraw/zinc/30/20/94/1057302094.db2.gz RZYLOKMMYGXOAB-INIZCTEOSA-N 1 0 384.553 3.530 20 30 GHEDRO C=CCn1c([C@@H](O)CC2CCCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001356214252 1057432345 /nfs/dbraw/zinc/43/23/45/1057432345.db2.gz BKMWQMRLNJIFIL-PMACEKPBSA-N 1 0 389.588 3.636 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001356524960 1057538119 /nfs/dbraw/zinc/53/81/19/1057538119.db2.gz NCZDKTYPTDBTPR-GOSISDBHSA-N 1 0 382.556 3.712 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001356577754 1057554850 /nfs/dbraw/zinc/55/48/50/1057554850.db2.gz IIOISXUFUZSVER-IYWMVGAKSA-N 1 0 382.556 3.572 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001356578389 1057555558 /nfs/dbraw/zinc/55/55/58/1057555558.db2.gz NTUHQXKWLDGWDE-PWRODBHTSA-N 1 0 390.535 3.582 20 30 GHEDRO C=CCc1cc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc(OC)c1OC ZINC000849072309 1057581325 /nfs/dbraw/zinc/58/13/25/1057581325.db2.gz DHFZVGWEQLEXPO-UHFFFAOYSA-N 1 0 397.475 3.730 20 30 GHEDRO Cn1c([C@@H]2CCCCN2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338394764 1058546270 /nfs/dbraw/zinc/54/62/70/1058546270.db2.gz LJKKMBXJSRXLEV-SIKLNZKXSA-N 1 0 378.524 3.672 20 30 GHEDRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCNc1ncccc1C#N ZINC001338750496 1058762664 /nfs/dbraw/zinc/76/26/64/1058762664.db2.gz BVTLTGQYIGAWBY-UHFFFAOYSA-N 1 0 394.910 3.919 20 30 GHEDRO C=CCn1c(N2CC[C@@H](C[NH+](CC)CC)C2)nnc1C(F)(F)c1ccccc1 ZINC001338821081 1058810443 /nfs/dbraw/zinc/81/04/43/1058810443.db2.gz AVZPTQGZAFBKLZ-KRWDZBQOSA-N 1 0 389.494 3.772 20 30 GHEDRO C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001338862326 1058837354 /nfs/dbraw/zinc/83/73/54/1058837354.db2.gz DBNYYSFRAGCTNE-UHFFFAOYSA-N 1 0 396.495 3.690 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001442078893 1058913466 /nfs/dbraw/zinc/91/34/66/1058913466.db2.gz SXXMNWSWDCUCCD-UHFFFAOYSA-N 1 0 393.553 3.693 20 30 GHEDRO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001339031284 1058931763 /nfs/dbraw/zinc/93/17/63/1058931763.db2.gz NRYLUJIIKIWGTF-SFHVURJKSA-N 1 0 375.561 3.652 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(Br)cn1CC)C(C)C ZINC001443421677 1059126910 /nfs/dbraw/zinc/12/69/10/1059126910.db2.gz DSFKFFDFVYKSLU-KRWDZBQOSA-N 1 0 382.346 3.699 20 30 GHEDRO CCn1c(C2CCN(CCC#N)CC2)nnc1N1CCc2c(C)cc(C)cc2C1 ZINC001339367472 1059147743 /nfs/dbraw/zinc/14/77/43/1059147743.db2.gz KITXIVRGJRBCIQ-UHFFFAOYSA-N 1 0 392.551 3.571 20 30 GHEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001340032794 1059635946 /nfs/dbraw/zinc/63/59/46/1059635946.db2.gz FMEYCNHEIRPRBE-IBGZPJMESA-N 1 0 388.489 3.505 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001340135139 1059716343 /nfs/dbraw/zinc/71/63/43/1059716343.db2.gz SGXJQFBOUSSYCZ-UHFFFAOYSA-N 1 0 381.615 3.643 20 30 GHEDRO C=CCn1c(C[C@H]2CC(C)(C)OC2(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340217852 1059771686 /nfs/dbraw/zinc/77/16/86/1059771686.db2.gz GNAPMLUBJNCJIS-KRWDZBQOSA-N 1 0 389.588 3.567 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001340277234 1059816910 /nfs/dbraw/zinc/81/69/10/1059816910.db2.gz GPYBRJROYLEUAV-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO C=C[C@H](C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC001446963436 1059908645 /nfs/dbraw/zinc/90/86/45/1059908645.db2.gz UROJTUCMDYWOIW-QHCPKHFHSA-N 1 0 378.516 3.790 20 30 GHEDRO C=CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001340477904 1059946436 /nfs/dbraw/zinc/94/64/36/1059946436.db2.gz KUBUCOCWVZIRIG-UHFFFAOYSA-N 1 0 390.535 3.652 20 30 GHEDRO C=CCn1c(-c2cccc(CC#N)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001340478599 1059946517 /nfs/dbraw/zinc/94/65/17/1059946517.db2.gz UKGWUFLVTXUDEE-FQEVSTJZSA-N 1 0 390.535 3.509 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001448871243 1060287485 /nfs/dbraw/zinc/28/74/85/1060287485.db2.gz FUYBIPLOHHDWQN-UHFFFAOYSA-N 1 0 392.297 3.684 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001448876551 1060290510 /nfs/dbraw/zinc/29/05/10/1060290510.db2.gz SASSSHJUAWBFGG-UHFFFAOYSA-N 1 0 377.941 3.972 20 30 GHEDRO CCn1c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001340969146 1060296960 /nfs/dbraw/zinc/29/69/60/1060296960.db2.gz HEYWWRLUOYFKIB-HLAWJBBLSA-N 1 0 392.551 3.664 20 30 GHEDRO C=C(C)Cn1c([C@H]2COc3ccccc32)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001341781183 1060888403 /nfs/dbraw/zinc/88/84/03/1060888403.db2.gz LVVBOEFIFLRFAQ-IBGZPJMESA-N 1 0 395.551 3.689 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@@H+](C(C)C)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001342090180 1061051248 /nfs/dbraw/zinc/05/12/48/1061051248.db2.gz WYVQSWOKCMIACG-QFIPXVFZSA-N 1 0 382.556 3.500 20 30 GHEDRO C=C(C)Cn1c(Cc2ncccc2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342096734 1061055479 /nfs/dbraw/zinc/05/54/79/1061055479.db2.gz AOYMFVMZPPQAJZ-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001342202043 1061129744 /nfs/dbraw/zinc/12/97/44/1061129744.db2.gz RFZABQBPMPPMQU-AWEZNQCLSA-N 1 0 394.976 3.799 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(c2nnc(CCCCC#N)n2Cc2cccs2)CC1 ZINC001345985021 1061263879 /nfs/dbraw/zinc/26/38/79/1061263879.db2.gz YXPXKYLOENHGCZ-KRWDZBQOSA-N 1 0 386.569 3.545 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc([C@@]3(C#N)CC34CCCC4)n2CC2CC2)CC1 ZINC001346172082 1061424362 /nfs/dbraw/zinc/42/43/62/1061424362.db2.gz QDASXVBSNFYQKQ-QHCPKHFHSA-N 1 0 396.583 3.724 20 30 GHEDRO Cc1nc(SCC(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(C#N)c(C)c1C ZINC001454121645 1061612465 /nfs/dbraw/zinc/61/24/65/1061612465.db2.gz IMJXLQAUJXPPTK-KUHUBIRLSA-N 1 0 388.581 3.549 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001346549039 1061674008 /nfs/dbraw/zinc/67/40/08/1061674008.db2.gz SMWYQLGZNNFEER-UYWIDEMCSA-N 1 0 390.535 3.580 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CCC1(C)C ZINC001454265154 1061681100 /nfs/dbraw/zinc/68/11/00/1061681100.db2.gz FCAWPRHEADBFLA-UHFFFAOYSA-N 1 0 377.488 3.694 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361212019 1061725203 /nfs/dbraw/zinc/72/52/03/1061725203.db2.gz FTAPXNRBHITGBS-VGOFRKELSA-N 1 0 396.539 3.709 20 30 GHEDRO Cc1c(C(=O)OC[C@H](C#N)Cc2cccc(Br)c2)ccc2c[nH+]cn21 ZINC001348151141 1062938830 /nfs/dbraw/zinc/93/88/30/1062938830.db2.gz KVPTVHJECKDZSF-HNNXBMFYSA-N 1 0 398.260 3.945 20 30 GHEDRO Cn1c(C#N)ccc1C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001457199784 1063018417 /nfs/dbraw/zinc/01/84/17/1063018417.db2.gz AHFCCMRPJXNFEI-UHFFFAOYSA-N 1 0 386.499 3.719 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@H]3C[C@@H]3C#N)n2CC2CC2)CC1 ZINC001348948700 1063434744 /nfs/dbraw/zinc/43/47/44/1063434744.db2.gz QDRYVLKUHPGFNC-MOPGFXCFSA-N 1 0 382.556 3.550 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+]CCc2ccc(N3CCCCC3)cc2)c1 ZINC001348950880 1063437700 /nfs/dbraw/zinc/43/77/00/1063437700.db2.gz GOHYMXWHTJDPNN-UHFFFAOYSA-N 1 0 376.504 3.709 20 30 GHEDRO COC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C#N)n1 ZINC001458111739 1063573505 /nfs/dbraw/zinc/57/35/05/1063573505.db2.gz KSSUDSWMCNHHKN-IAGOWNOFSA-N 1 0 392.503 3.830 20 30 GHEDRO C#CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)CC1 ZINC001437055709 1063751777 /nfs/dbraw/zinc/75/17/77/1063751777.db2.gz IGROYGODKODRMQ-AOYPEHQESA-N 1 0 386.539 3.948 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC001458369843 1063767594 /nfs/dbraw/zinc/76/75/94/1063767594.db2.gz VBFYLJKFIQYXHG-OAQYLSRUSA-N 1 0 380.423 3.708 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c(C#N)c2)CC1 ZINC001350369663 1064067943 /nfs/dbraw/zinc/06/79/43/1064067943.db2.gz QGAIMOFQOGIYSF-UHFFFAOYSA-N 1 0 382.895 3.914 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](CCc2ccccc2)C2CCCC2)c1 ZINC001459448127 1064101062 /nfs/dbraw/zinc/10/10/62/1064101062.db2.gz DEISCUYUKCYPAQ-UHFFFAOYSA-N 1 0 389.499 3.803 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1C#N ZINC001438743955 1064106310 /nfs/dbraw/zinc/10/63/10/1064106310.db2.gz KIYUWYQXXAUOMD-UHFFFAOYSA-N 1 0 392.341 3.761 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c(Cl)cc1N ZINC001464276938 1064938933 /nfs/dbraw/zinc/93/89/33/1064938933.db2.gz YFASPOKBJALJKH-UHFFFAOYSA-N 1 0 391.302 3.651 20 30 GHEDRO C=C[C@](C)(O)CC(=O)N(CC[NH+](CC)CC)Cc1ccc(Cl)c(Cl)c1 ZINC001464640431 1065129091 /nfs/dbraw/zinc/12/90/91/1065129091.db2.gz XSZWNXFDFAINTF-IBGZPJMESA-N 1 0 387.351 3.991 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 ZINC001464923129 1065275147 /nfs/dbraw/zinc/27/51/47/1065275147.db2.gz XQUKZBCUIXUMDM-IBGZPJMESA-N 1 0 393.572 3.617 20 30 GHEDRO C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCC1(C)C ZINC001465223254 1065473402 /nfs/dbraw/zinc/47/34/02/1065473402.db2.gz LJRCHCGUOGUAOP-UHFFFAOYSA-N 1 0 379.464 3.694 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001465398594 1065587374 /nfs/dbraw/zinc/58/73/74/1065587374.db2.gz DIPLNMDIVDBXBD-UHFFFAOYSA-N 1 0 390.487 3.695 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2C#N)C[N@@H+]1Cc1ccccc1 ZINC001465915892 1065920406 /nfs/dbraw/zinc/92/04/06/1065920406.db2.gz NXPGWMJEBFDVJD-KDOFPFPSSA-N 1 0 398.304 3.714 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CC[NH+](C(C)C)C(C)C ZINC001300316839 1065979144 /nfs/dbraw/zinc/97/91/44/1065979144.db2.gz FSHABJTXWUARIG-HXUWFJFHSA-N 1 0 381.568 3.640 20 30 GHEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1cccc(Br)c1 ZINC001466105690 1065984472 /nfs/dbraw/zinc/98/44/72/1065984472.db2.gz WHFBWHRSEVRERH-MRXNPFEDSA-N 1 0 388.265 3.633 20 30 GHEDRO CC[C@H]1C[C@H](CC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000847747329 1066023334 /nfs/dbraw/zinc/02/33/34/1066023334.db2.gz GKNIXTBXYKNDAL-RTWAWAEBSA-N 1 0 384.520 3.931 20 30 GHEDRO C[C@H]1CCCc2ncc(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)n21 ZINC000847747054 1066026868 /nfs/dbraw/zinc/02/68/68/1066026868.db2.gz WGWZMMGZVWUSBY-SFHVURJKSA-N 1 0 392.503 3.743 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2nnc(C(C)C)n2c1)C(C)C ZINC001466195054 1066027929 /nfs/dbraw/zinc/02/79/29/1066027929.db2.gz DSCWYFFAMSTNRE-SFHVURJKSA-N 1 0 384.528 3.673 20 30 GHEDRO N#CC1(COC(=O)C[C@@H]2CSCCS2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748672 1066029939 /nfs/dbraw/zinc/02/99/39/1066029939.db2.gz FXTVVFHVJXTIPM-GOSISDBHSA-N 1 0 390.574 3.574 20 30 GHEDRO Cc1nc(CC2CC2)oc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847748030 1066031767 /nfs/dbraw/zinc/03/17/67/1066031767.db2.gz WISHGIHXSJZZEZ-UHFFFAOYSA-N 1 0 393.487 3.898 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847749485 1066034866 /nfs/dbraw/zinc/03/48/66/1066034866.db2.gz RJHCWOPAAYLDSS-UHFFFAOYSA-N 1 0 393.443 3.866 20 30 GHEDRO CC(C)[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CCCCC1 ZINC001466383063 1066125528 /nfs/dbraw/zinc/12/55/28/1066125528.db2.gz HGEQRYCSMRWBBX-IBGZPJMESA-N 1 0 385.899 3.846 20 30 GHEDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001466754853 1066295966 /nfs/dbraw/zinc/29/59/66/1066295966.db2.gz IVRSWJIDZZVDCN-INIZCTEOSA-N 1 0 381.480 3.987 20 30 GHEDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467196513 1067143623 /nfs/dbraw/zinc/14/36/23/1067143623.db2.gz VYMCEFZESJSEJQ-DLBZAZTESA-N 1 0 382.430 3.533 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)Nc2cccc(CC#N)n2)[NH+](C)C)cc1 ZINC001467202056 1067148200 /nfs/dbraw/zinc/14/82/00/1067148200.db2.gz MHZGTWUUGABKGI-FQEVSTJZSA-N 1 0 379.508 3.771 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001467340462 1067238102 /nfs/dbraw/zinc/23/81/02/1067238102.db2.gz OSUJSWQCZSNLTE-QGFLDLQWSA-N 1 0 382.479 3.681 20 30 GHEDRO C#C[C@@H](NC(=O)NCCCCCCC[NH+](C)C)c1ccc(Br)cc1 ZINC001477640287 1078502779 /nfs/dbraw/zinc/50/27/79/1078502779.db2.gz JFBODLKWNLHIQT-GOSISDBHSA-N 1 0 394.357 3.935 20 30 GHEDRO CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1CCN(Cc2ccsc2)CC1 ZINC001357845937 1067301010 /nfs/dbraw/zinc/30/10/10/1067301010.db2.gz BVHCFJFYTBVUSE-KRWDZBQOSA-N 1 0 386.569 3.725 20 30 GHEDRO CC(C)Cn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@@H](C)CCC#N ZINC001357849055 1067302473 /nfs/dbraw/zinc/30/24/73/1067302473.db2.gz UTUOJBSKIXIGSZ-INIZCTEOSA-N 1 0 384.532 3.548 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC001467660535 1067404625 /nfs/dbraw/zinc/40/46/25/1067404625.db2.gz RQVUXADBPNJDEJ-JOCHJYFZSA-N 1 0 384.568 3.567 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001358877336 1067591085 /nfs/dbraw/zinc/59/10/85/1067591085.db2.gz BUTFWROLRRCFMB-DYESRHJHSA-N 1 0 392.551 3.641 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001358879033 1067591823 /nfs/dbraw/zinc/59/18/23/1067591823.db2.gz JOUTWHKLMOBGGW-WIYYLYMNSA-N 1 0 381.568 3.942 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1CCCCC1 ZINC001358882998 1067594719 /nfs/dbraw/zinc/59/47/19/1067594719.db2.gz LQQPTPPJRGXTKM-KRWDZBQOSA-N 1 0 385.943 3.932 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CC1CC[NH+](CCC)CC1 ZINC001358883193 1067594830 /nfs/dbraw/zinc/59/48/30/1067594830.db2.gz PKMLNNNXTAHGPO-QGZVFWFLSA-N 1 0 383.515 3.664 20 30 GHEDRO C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001358923090 1067614713 /nfs/dbraw/zinc/61/47/13/1067614713.db2.gz BGYAJFSVOIMXKX-NQIIRXRSSA-N 1 0 377.536 3.594 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CC[N@H+](C)C1CCCCC1 ZINC001359002913 1067644643 /nfs/dbraw/zinc/64/46/43/1067644643.db2.gz ROYGLMLEBYYMMG-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359011224 1067651135 /nfs/dbraw/zinc/65/11/35/1067651135.db2.gz OZCYLZAZGHUTLX-LJQANCHMSA-N 1 0 397.542 3.590 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359108265 1067687613 /nfs/dbraw/zinc/68/76/13/1067687613.db2.gz HJEKPWZIASSRTR-GOSISDBHSA-N 1 0 395.551 3.840 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359113610 1067691757 /nfs/dbraw/zinc/69/17/57/1067691757.db2.gz MJPKJWWWSZPFCQ-PMACEKPBSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(Cn1c(COCC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001359140800 1067705901 /nfs/dbraw/zinc/70/59/01/1067705901.db2.gz MQSVVQNDXIZONV-OAQYLSRUSA-N 1 0 395.551 3.593 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001359160759 1067717051 /nfs/dbraw/zinc/71/70/51/1067717051.db2.gz CJRGFHCHVUDBHQ-UHFFFAOYSA-N 1 0 383.540 3.840 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001359162356 1067717480 /nfs/dbraw/zinc/71/74/80/1067717480.db2.gz NPQOFRIGOZNCTM-UHFFFAOYSA-N 1 0 381.524 3.596 20 30 GHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1c(F)c(F)cc(F)c1F ZINC000849105463 1067730777 /nfs/dbraw/zinc/73/07/77/1067730777.db2.gz NWCYEMIPDMYLJD-UHFFFAOYSA-N 1 0 395.278 3.956 20 30 GHEDRO C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359201721 1067768824 /nfs/dbraw/zinc/76/88/24/1067768824.db2.gz XJLJJFHNDCHSLV-UHFFFAOYSA-N 1 0 382.556 3.925 20 30 GHEDRO C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359211775 1067784712 /nfs/dbraw/zinc/78/47/12/1067784712.db2.gz OGOYLNDFZHSQJD-OAQYLSRUSA-N 1 0 390.535 3.848 20 30 GHEDRO C=CCCCn1c(CC2CC2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001359218588 1067796018 /nfs/dbraw/zinc/79/60/18/1067796018.db2.gz NXJQDHRSTSHYDT-NRFANRHFSA-N 1 0 379.552 3.908 20 30 GHEDRO C=CCN(C)c1nnc(C2CCCC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001359239747 1067848032 /nfs/dbraw/zinc/84/80/32/1067848032.db2.gz VYKABFWVIHAJOR-HXUWFJFHSA-N 1 0 383.540 3.869 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359242298 1067852709 /nfs/dbraw/zinc/85/27/09/1067852709.db2.gz XPNHOHNNOQAAJQ-OAQYLSRUSA-N 1 0 381.568 3.920 20 30 GHEDRO CC(C)[C@@H](CNC(=O)NCC#CC[NH+](C)C)Cc1ccc(Cl)cc1Cl ZINC001468781653 1067878846 /nfs/dbraw/zinc/87/88/46/1067878846.db2.gz NOMACDKRUJBFDN-MRXNPFEDSA-N 1 0 384.351 3.672 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849516504 1067888204 /nfs/dbraw/zinc/88/82/04/1067888204.db2.gz KINBOFVJNSPIOR-FCHUYYIVSA-N 1 0 396.535 3.828 20 30 GHEDRO C=CCN(c1nnc([C@@H]2CCOC2)n1CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC001359251165 1067901924 /nfs/dbraw/zinc/90/19/24/1067901924.db2.gz DUUWKXUKLRBVKY-RBUKOAKNSA-N 1 0 387.572 3.591 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC=CCC1)C(C)C ZINC001359265277 1067928931 /nfs/dbraw/zinc/92/89/31/1067928931.db2.gz CIBNWHHEMZNXNA-NRFANRHFSA-N 1 0 392.551 3.805 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCCC1)C(C)C ZINC001359265916 1067929051 /nfs/dbraw/zinc/92/90/51/1067929051.db2.gz ORKSGAGFBDLRML-HXUWFJFHSA-N 1 0 380.540 3.639 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1CC[NH+]1CCCCC1 ZINC001359267376 1067930306 /nfs/dbraw/zinc/93/03/06/1067930306.db2.gz FAPGKOYMYFARED-UHFFFAOYSA-N 1 0 381.524 3.618 20 30 GHEDRO C=CCN(CC=C)c1nnc(C2CCCC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359271264 1067938365 /nfs/dbraw/zinc/93/83/65/1067938365.db2.gz PSDGUFWXCBBSDA-IBGZPJMESA-N 1 0 387.572 3.615 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359274208 1067943128 /nfs/dbraw/zinc/94/31/28/1067943128.db2.gz FZRNNMGCURUAMI-JOCHJYFZSA-N 1 0 381.568 3.942 20 30 GHEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1(C)C ZINC001469331678 1068108284 /nfs/dbraw/zinc/10/82/84/1068108284.db2.gz ISZZIORJXPOKAH-UXHICEINSA-N 1 0 381.451 3.948 20 30 GHEDRO CC(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359787270 1068188759 /nfs/dbraw/zinc/18/87/59/1068188759.db2.gz XXFLWJGUXNJJQA-OALUTQOASA-N 1 0 386.588 3.727 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F ZINC001360097219 1068356268 /nfs/dbraw/zinc/35/62/68/1068356268.db2.gz AAXARMSJUKJBSQ-UHFFFAOYSA-N 1 0 394.445 3.546 20 30 GHEDRO C=C(C)[C@H](NC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(F)c1 ZINC001469855574 1068431277 /nfs/dbraw/zinc/43/12/77/1068431277.db2.gz FBEMIFHQVSOSNB-FQEVSTJZSA-N 1 0 386.446 3.945 20 30 GHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCc2c(CC#N)cccc2C1)[NH+](C)C ZINC001470095258 1068570761 /nfs/dbraw/zinc/57/07/61/1068570761.db2.gz QQKCGAZHCYZNDW-WZONZLPQSA-N 1 0 390.531 3.820 20 30 GHEDRO C=CC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001470106649 1068575337 /nfs/dbraw/zinc/57/53/37/1068575337.db2.gz WSRFOUNUCHYDQZ-GCJKJVERSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCCO[C@H](C)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951501 1068709223 /nfs/dbraw/zinc/70/92/23/1068709223.db2.gz ACRBSCLZOXYXDJ-MJGOQNOKSA-N 1 0 398.469 3.881 20 30 GHEDRO Cc1ccccc1[C@H](C)[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC(C)C ZINC001460088602 1068776361 /nfs/dbraw/zinc/77/63/61/1068776361.db2.gz KJDXCSTVLKLLAU-JTHBVZDNSA-N 1 0 398.595 3.706 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](CO)C(C)C ZINC001460125351 1068794367 /nfs/dbraw/zinc/79/43/67/1068794367.db2.gz MBMUBKXGQWIYJK-FXAWDEMLSA-N 1 0 391.581 3.706 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001460223046 1068870000 /nfs/dbraw/zinc/87/00/00/1068870000.db2.gz LODSSSAQNKBHAN-LKUPVBHCSA-N 1 0 392.503 3.691 20 30 GHEDRO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4ccccc4CF)CC3)n[nH]2)cc1 ZINC001460364645 1068944025 /nfs/dbraw/zinc/94/40/25/1068944025.db2.gz TYIRDWJVJVSZNT-UHFFFAOYSA-N 1 0 375.451 3.740 20 30 GHEDRO CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC001460413974 1068957232 /nfs/dbraw/zinc/95/72/32/1068957232.db2.gz YQRNHPZGWCGVRK-QFIPXVFZSA-N 1 0 382.529 3.819 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001460485194 1068976919 /nfs/dbraw/zinc/97/69/19/1068976919.db2.gz MXTZYZSLGYEHAG-IBGZPJMESA-N 1 0 381.442 3.865 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 ZINC001470618357 1072651572 /nfs/dbraw/zinc/65/15/72/1072651572.db2.gz KENUEURCQCUEDE-QHCPKHFHSA-N 1 0 388.515 3.544 20 30 GHEDRO N#CCc1ccc(CNC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC001470628773 1072656121 /nfs/dbraw/zinc/65/61/21/1072656121.db2.gz PJFOCLBMOUCIRZ-UHFFFAOYSA-N 1 0 398.510 3.931 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC001470785886 1072739015 /nfs/dbraw/zinc/73/90/15/1072739015.db2.gz FBLNWZNYVAOXIX-NHCUHLMSSA-N 1 0 379.589 3.901 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)Cc1cc(C#N)cs1 ZINC001471043214 1072900414 /nfs/dbraw/zinc/90/04/14/1072900414.db2.gz NPTPFPFSNHQDNQ-VQIMIIECSA-N 1 0 382.533 3.529 20 30 GHEDRO C[N@@H+]1C[C@@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)[C@H](c2ccccc2)C1 ZINC001471495408 1073103232 /nfs/dbraw/zinc/10/32/32/1073103232.db2.gz JHPCNABNEUHTEP-IRLDBZIGSA-N 1 0 388.515 3.582 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2csc(-c3cccc4ccccc43)n2)CC1 ZINC001471938104 1073269855 /nfs/dbraw/zinc/26/98/55/1073269855.db2.gz AWCFXCZKZYSPPZ-UHFFFAOYSA-N 1 0 375.497 3.791 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3cc(C(F)(F)F)cc(C#N)n3)cc2)CC1 ZINC001472640794 1073591061 /nfs/dbraw/zinc/59/10/61/1073591061.db2.gz ZYZSINRKWYTUAU-UHFFFAOYSA-N 1 0 375.398 3.858 20 30 GHEDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001472741938 1073645836 /nfs/dbraw/zinc/64/58/36/1073645836.db2.gz NLWHHAYBYICBRK-KRWDZBQOSA-N 1 0 379.464 3.540 20 30 GHEDRO CC(C)[N@@H+](Cc1cc(C#N)ccn1)C[C@@H](O)COc1cccc2ccccc21 ZINC001473150323 1073809656 /nfs/dbraw/zinc/80/96/56/1073809656.db2.gz ITAXZISDCFBBEW-OAQYLSRUSA-N 1 0 375.472 3.757 20 30 GHEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC001473162685 1073819791 /nfs/dbraw/zinc/81/97/91/1073819791.db2.gz DKEWGUKNGGYFSK-MRXNPFEDSA-N 1 0 380.875 3.502 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001473211710 1073862919 /nfs/dbraw/zinc/86/29/19/1073862919.db2.gz WIAIJUGQBILIHA-KITAHSCOSA-N 1 0 383.536 3.605 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C2(CCC2)CO1 ZINC001473611777 1074048106 /nfs/dbraw/zinc/04/81/06/1074048106.db2.gz XMZBMOAXVPBNNC-LSDHHAIUSA-N 1 0 387.549 3.717 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCCCC1 ZINC001473719365 1074106059 /nfs/dbraw/zinc/10/60/59/1074106059.db2.gz HPHBRLNZNCPHTI-UHFFFAOYSA-N 1 0 375.538 3.533 20 30 GHEDRO C#CCC1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCCC1 ZINC001473824806 1074161654 /nfs/dbraw/zinc/16/16/54/1074161654.db2.gz SRJBBWZCAHYTTQ-UHFFFAOYSA-N 1 0 384.339 3.539 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001473860660 1074179013 /nfs/dbraw/zinc/17/90/13/1074179013.db2.gz ATWIUFOXNUWMAY-NRFANRHFSA-N 1 0 375.472 3.659 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001473920228 1074203804 /nfs/dbraw/zinc/20/38/04/1074203804.db2.gz MDUHFAJAQSADFA-IYBDPMFKSA-N 1 0 382.932 3.502 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001473935640 1074210730 /nfs/dbraw/zinc/21/07/30/1074210730.db2.gz MTYGUTMIYRPNKV-CALCHBBNSA-N 1 0 393.369 3.919 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1OC ZINC001474019703 1074238130 /nfs/dbraw/zinc/23/81/30/1074238130.db2.gz GQIDHVWYZZLODI-QGZVFWFLSA-N 1 0 376.497 3.653 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)NCC#CC[NH+](C)C ZINC001479623426 1079241274 /nfs/dbraw/zinc/24/12/74/1079241274.db2.gz QAKPQTAXHQWPHT-KRWDZBQOSA-N 1 0 384.549 3.694 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(Br)c3c(c1)OCCCO3)C2 ZINC001474245023 1074307445 /nfs/dbraw/zinc/30/74/45/1074307445.db2.gz ODNHBIOIALMOFQ-KRWDZBQOSA-N 1 0 399.288 3.739 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc1OCC ZINC001474273738 1074321089 /nfs/dbraw/zinc/32/10/89/1074321089.db2.gz HJRUMABISYTXHU-CJNGLKHVSA-N 1 0 383.330 3.595 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ncc(I)s1 ZINC001474274876 1074321226 /nfs/dbraw/zinc/32/12/26/1074321226.db2.gz ICRMMAULJGDTJK-UHFFFAOYSA-N 1 0 397.285 3.730 20 30 GHEDRO C[NH+](C)Cc1ccc(CNc2cccc(OCC#N)c2)c2c1OC(F)(F)O2 ZINC001474430701 1074402490 /nfs/dbraw/zinc/40/24/90/1074402490.db2.gz MXVSRACFGDKMHJ-UHFFFAOYSA-N 1 0 375.375 3.584 20 30 GHEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001493846805 1079303146 /nfs/dbraw/zinc/30/31/46/1079303146.db2.gz XVOXVOXQFFODDK-GCJKJVERSA-N 1 0 378.524 3.559 20 30 GHEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC001475002983 1074678977 /nfs/dbraw/zinc/67/89/77/1074678977.db2.gz MIMCXESTJWXXMN-UHFFFAOYSA-N 1 0 391.562 3.515 20 30 GHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC001475234879 1074798354 /nfs/dbraw/zinc/79/83/54/1074798354.db2.gz UAFUQFZPFBRVCP-UHFFFAOYSA-N 1 0 395.956 3.536 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC001475930728 1075051548 /nfs/dbraw/zinc/05/15/48/1075051548.db2.gz VQTCUWYZKNOUNT-UHFFFAOYSA-N 1 0 383.521 3.554 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)C1=CC[N@H+](C)CC1 ZINC001476056467 1075076409 /nfs/dbraw/zinc/07/64/09/1075076409.db2.gz DIMNFUWPRGRYNJ-OAHLLOKOSA-N 1 0 377.448 3.517 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001476200355 1075102509 /nfs/dbraw/zinc/10/25/09/1075102509.db2.gz KBUTXZFUJUVSCJ-IRXDYDNUSA-N 1 0 393.491 3.987 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001476201712 1075102889 /nfs/dbraw/zinc/10/28/89/1075102889.db2.gz USHQWFCEHLBMBS-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1C#N ZINC001476305748 1075121334 /nfs/dbraw/zinc/12/13/34/1075121334.db2.gz BAYRRJMWSKLTLJ-UHFFFAOYSA-N 1 0 384.455 3.738 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001495998613 1079445191 /nfs/dbraw/zinc/44/51/91/1079445191.db2.gz SQQWXHUCUDZYLG-SFHVURJKSA-N 1 0 380.540 3.785 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001496006358 1079446697 /nfs/dbraw/zinc/44/66/97/1079446697.db2.gz YCTJSBUEDSCQTQ-IRXDYDNUSA-N 1 0 380.540 3.782 20 30 GHEDRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001496665209 1079477666 /nfs/dbraw/zinc/47/76/66/1079477666.db2.gz OEEVYSVKWZZWLH-RXVVDRJESA-N 1 0 390.551 3.744 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001621021940 1126244417 /nfs/dbraw/zinc/24/44/17/1126244417.db2.gz CLRLEQSIQAHELM-FQEVSTJZSA-N 1 0 388.305 3.544 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C1 ZINC000828161825 601300243 /nfs/dbraw/zinc/30/02/43/601300243.db2.gz PLRGSAKHUUQSSK-PMAPCBKXSA-N 1 0 391.515 3.952 20 30 GHEDRO C=CCC[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1 ZINC000823893871 608537344 /nfs/dbraw/zinc/53/73/44/608537344.db2.gz AIANDSKZPNQMQV-MRXNPFEDSA-N 1 0 382.493 3.554 20 30 GHEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914379 608632644 /nfs/dbraw/zinc/63/26/44/608632644.db2.gz HVJHIONOTIJBAE-UHFFFAOYSA-N 1 0 389.438 3.584 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164386934 718802489 /nfs/dbraw/zinc/80/24/89/718802489.db2.gz HLYQGXVXGWKZGJ-UHFFFAOYSA-N 1 0 375.250 3.917 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164389616 718814776 /nfs/dbraw/zinc/81/47/76/718814776.db2.gz WXQNUUVIUMFYQE-ZDUSSCGKSA-N 1 0 394.775 3.662 20 30 GHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4c(C#N)c[nH]c4n2)CC3)cs1 ZINC001164694535 719809792 /nfs/dbraw/zinc/80/97/92/719809792.db2.gz ZZNVKQHIVNGTEJ-UHFFFAOYSA-N 1 0 392.532 3.835 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731597 720475871 /nfs/dbraw/zinc/47/58/71/720475871.db2.gz WSBMMOLHWFCHHR-NHCUHLMSSA-N 1 0 376.580 3.559 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3C#N)C[C@@H]21 ZINC001165027225 721802460 /nfs/dbraw/zinc/80/24/60/721802460.db2.gz UNWZUGLNSVMQCT-AYOQOUSVSA-N 1 0 381.911 3.739 20 30 GHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[NH+](C2CCCC2)CC1 ZINC001165033619 721862070 /nfs/dbraw/zinc/86/20/70/721862070.db2.gz SQUIACROCWVSGI-UHFFFAOYSA-N 1 0 383.883 3.859 20 30 GHEDRO Cc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)cc1C#N ZINC001164959946 722024713 /nfs/dbraw/zinc/02/47/13/722024713.db2.gz KCSJYYIRYVTDGJ-UHFFFAOYSA-N 1 0 381.911 3.803 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000580905127 837425269 /nfs/dbraw/zinc/42/52/69/837425269.db2.gz PTMWHRWVBDCARQ-QFIPXVFZSA-N 1 0 388.467 3.667 20 30 GHEDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000581111807 837475674 /nfs/dbraw/zinc/47/56/74/837475674.db2.gz LEJJZWKWEATQDT-OXHPOLQJSA-N 1 0 379.508 3.693 20 30 GHEDRO Cc1ccc([C@H](CNc2c(C#N)cnc3c(F)ccc(F)c32)[NH+]2CCCC2)o1 ZINC000610278039 837600475 /nfs/dbraw/zinc/60/04/75/837600475.db2.gz GEHWRGUYJWXNPZ-KRWDZBQOSA-N 1 0 382.414 3.957 20 30 GHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000065675219 834580706 /nfs/dbraw/zinc/58/07/06/834580706.db2.gz DACRJFYNNOSKKW-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000452106194 837787596 /nfs/dbraw/zinc/78/75/96/837787596.db2.gz QKMYRBMJHUCDSH-JKSUJKDBSA-N 1 0 389.565 3.822 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1[nH]cnc1C(=O)c1ccccc1 ZINC000329297368 834778617 /nfs/dbraw/zinc/77/86/17/834778617.db2.gz UABZTSSVTVPPBV-UHFFFAOYSA-N 1 0 380.492 3.742 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](CCC)CC1 ZINC000583706334 834908675 /nfs/dbraw/zinc/90/86/75/834908675.db2.gz ZCLYNOTWARTQIH-UHFFFAOYSA-N 1 0 376.508 3.601 20 30 GHEDRO COC(=O)c1cccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1C#N ZINC000611935318 835078434 /nfs/dbraw/zinc/07/84/34/835078434.db2.gz PWMVPCSUHXHQKR-QFIPXVFZSA-N 1 0 377.488 3.662 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1Oc1ccccc1 ZINC000579818696 835082785 /nfs/dbraw/zinc/08/27/85/835082785.db2.gz QPXSPTKCYDLLPM-WXFUMESZSA-N 1 0 391.515 3.742 20 30 GHEDRO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)c(C)s1)N(C)C[C@@H]1CCOC1 ZINC000261729445 844031284 /nfs/dbraw/zinc/03/12/84/844031284.db2.gz XXFQRKBEBRSGKY-AWEZNQCLSA-N 1 0 392.956 3.816 20 30 GHEDRO N#Cc1ccc(Cl)cc1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413576431 835220466 /nfs/dbraw/zinc/22/04/66/835220466.db2.gz HGLRMHFNMVMMNH-UHFFFAOYSA-N 1 0 382.895 3.521 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000048094274 835241501 /nfs/dbraw/zinc/24/15/01/835241501.db2.gz ZQOBVEHOWMYNQL-OAQYLSRUSA-N 1 0 379.529 3.745 20 30 GHEDRO CCOc1cc(C)ccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433338900 844035728 /nfs/dbraw/zinc/03/57/28/844035728.db2.gz IWBWAGKMRPLJOJ-UHFFFAOYSA-N 1 0 375.476 3.856 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559144979 835316950 /nfs/dbraw/zinc/31/69/50/835316950.db2.gz FNGZDJCKBXFLLN-QUCCMNQESA-N 1 0 383.858 3.533 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)C[C@H](C)O1 ZINC000157663122 835331656 /nfs/dbraw/zinc/33/16/56/835331656.db2.gz QBFNXLJEYJWPIN-HOTGVXAUSA-N 1 0 380.448 3.688 20 30 GHEDRO CN(CC(C)(C)C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000458753279 835377899 /nfs/dbraw/zinc/37/78/99/835377899.db2.gz FGFYZXQTWGQCGG-FCHUYYIVSA-N 1 0 390.531 3.846 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000658062126 835390834 /nfs/dbraw/zinc/39/08/34/835390834.db2.gz YEWSNTNSGLRWDF-UTKZUKDTSA-N 1 0 392.565 3.573 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000433356834 844049106 /nfs/dbraw/zinc/04/91/06/844049106.db2.gz VJBVLTDZZACLLK-XMMPIXPASA-N 1 0 389.543 3.926 20 30 GHEDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278568272 835425087 /nfs/dbraw/zinc/42/50/87/835425087.db2.gz DHJAOSJPCXLCRN-UHFFFAOYSA-N 1 0 384.487 3.981 20 30 GHEDRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278590931 835498066 /nfs/dbraw/zinc/49/80/66/835498066.db2.gz GUFAKCAENPYMBK-RTWAWAEBSA-N 1 0 381.524 3.932 20 30 GHEDRO C=CCOCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000658209139 835509607 /nfs/dbraw/zinc/50/96/07/835509607.db2.gz CZRXWLJCFXGCRC-FQEVSTJZSA-N 1 0 395.471 3.640 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccccc2F)s1 ZINC000255677631 835538053 /nfs/dbraw/zinc/53/80/53/835538053.db2.gz XTJKCXDIEXEBHO-ZIPFOMIPSA-N 1 0 385.464 3.731 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@H](C)CC2)c1=S ZINC000748084845 835577808 /nfs/dbraw/zinc/57/78/08/835577808.db2.gz WAEKIFNZBIZBQA-SFHVURJKSA-N 1 0 377.602 3.708 20 30 GHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508812162 844069614 /nfs/dbraw/zinc/06/96/14/844069614.db2.gz JYHAVXUIYCLGOE-UNMCSNQZSA-N 1 0 391.563 3.816 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000255734441 835692873 /nfs/dbraw/zinc/69/28/73/835692873.db2.gz WXQDWKYFRLYCLS-GOSISDBHSA-N 1 0 379.504 3.829 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCC2 ZINC000278663486 835737888 /nfs/dbraw/zinc/73/78/88/835737888.db2.gz NJVBTDVYDQHRNU-WOJBJXKFSA-N 1 0 379.508 3.686 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549677402 844094814 /nfs/dbraw/zinc/09/48/14/844094814.db2.gz DPSHVBRHFOTTJU-IBGZPJMESA-N 1 0 380.540 3.537 20 30 GHEDRO C[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+](C2CC2)C1 ZINC000584332906 835889876 /nfs/dbraw/zinc/88/98/76/835889876.db2.gz VOYMPCDWBDNSHR-SFHVURJKSA-N 1 0 389.499 3.694 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000179702331 835950798 /nfs/dbraw/zinc/95/07/98/835950798.db2.gz VIBPPVNOMTXBEG-YADHBBJMSA-N 1 0 397.567 3.668 20 30 GHEDRO N#CCCC[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000431819242 836242330 /nfs/dbraw/zinc/24/23/30/836242330.db2.gz YLJDOTBWEKTHFL-QFIPXVFZSA-N 1 0 391.519 3.780 20 30 GHEDRO CCc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930120 836253341 /nfs/dbraw/zinc/25/33/41/836253341.db2.gz WPTXNZKXMFJNID-UHFFFAOYSA-N 1 0 391.515 3.674 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2ccccc2C#N)CC1 ZINC000173712213 836270681 /nfs/dbraw/zinc/27/06/81/836270681.db2.gz FMCUNDLOWQWGCD-UHFFFAOYSA-N 1 0 379.529 3.693 20 30 GHEDRO N#CCc1ccc(OCc2cccc(NC(=O)NCCC[NH+]3CCCC3)c2)cc1 ZINC000509894841 844145369 /nfs/dbraw/zinc/14/53/69/844145369.db2.gz CAPWRYPEEGHDLP-UHFFFAOYSA-N 1 0 392.503 3.939 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@@H]1CCCO1 ZINC000582514524 836343868 /nfs/dbraw/zinc/34/38/68/836343868.db2.gz PXCJOOLGXCXSHS-DEOSSOPVSA-N 1 0 393.531 3.680 20 30 GHEDRO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000472440553 836385305 /nfs/dbraw/zinc/38/53/05/836385305.db2.gz YDDMSRODKGGNDP-GOSISDBHSA-N 1 0 377.916 3.502 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000548945277 836490075 /nfs/dbraw/zinc/49/00/75/836490075.db2.gz ZJKJRYVRYOPTJS-IBGZPJMESA-N 1 0 380.540 3.619 20 30 GHEDRO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000174763862 836552799 /nfs/dbraw/zinc/55/27/99/836552799.db2.gz VDBHUFBMTJSNJJ-UHFFFAOYSA-N 1 0 399.498 3.566 20 30 GHEDRO C=CCCCCCCCC[NH+]1CCC2(CN(CCOC)C(=O)[C@@H]2COC)CC1 ZINC001209443956 836576884 /nfs/dbraw/zinc/57/68/84/836576884.db2.gz IPUMJEZOVVJXPT-NRFANRHFSA-N 1 0 394.600 3.737 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167160847 836733753 /nfs/dbraw/zinc/73/37/53/836733753.db2.gz HXOLPGNHAOPWRK-UHFFFAOYSA-N 1 0 375.592 3.952 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000175596256 836756660 /nfs/dbraw/zinc/75/66/60/836756660.db2.gz WFPVUQIJDGHRIO-OXJNMPFZSA-N 1 0 380.467 3.550 20 30 GHEDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000658929689 836794855 /nfs/dbraw/zinc/79/48/55/836794855.db2.gz KOOKSWGAGAGFTH-SNVBAGLBSA-N 1 0 386.311 3.705 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175619473 836800747 /nfs/dbraw/zinc/80/07/47/836800747.db2.gz PBJFKAIJMYFTBE-HXUWFJFHSA-N 1 0 392.503 3.943 20 30 GHEDRO C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247095211 836804381 /nfs/dbraw/zinc/80/43/81/836804381.db2.gz QATUVPZUJAFSGE-KZNAEPCWSA-N 1 0 398.551 3.619 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H](C)C1 ZINC000610782405 844208082 /nfs/dbraw/zinc/20/80/82/844208082.db2.gz HEEVFVOKEZMERI-JXFKEZNVSA-N 1 0 393.491 3.940 20 30 GHEDRO Cn1cc(C[NH2+]Cc2cccnc2OC2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180050315 836920797 /nfs/dbraw/zinc/92/07/97/836920797.db2.gz PNTNJATZXPLFAJ-UHFFFAOYSA-N 1 0 387.487 3.965 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCSC[C@H]2C2CCC2)cc1 ZINC000419352081 844217869 /nfs/dbraw/zinc/21/78/69/844217869.db2.gz ACJOJGQCQMXQQS-FQEVSTJZSA-N 1 0 387.549 3.549 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000413981889 837006849 /nfs/dbraw/zinc/00/68/49/837006849.db2.gz DZKZFHNRIHIGMZ-DEOSSOPVSA-N 1 0 392.543 3.808 20 30 GHEDRO CCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(N(C)C)cc1 ZINC000027056584 837024290 /nfs/dbraw/zinc/02/42/90/837024290.db2.gz GSEHMDJZIFCHDQ-UHFFFAOYSA-O 1 0 384.569 3.822 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180360930 837161023 /nfs/dbraw/zinc/16/10/23/837161023.db2.gz LHOBRLVFKNZTJJ-HXUWFJFHSA-N 1 0 391.906 3.981 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1c(F)cc(C#N)cc1F ZINC000151014153 844244227 /nfs/dbraw/zinc/24/42/27/844244227.db2.gz MSGVHJDXVKPQOP-GJZGRUSLSA-N 1 0 383.442 3.723 20 30 GHEDRO C=CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H](C)COC ZINC000664122380 844251345 /nfs/dbraw/zinc/25/13/45/844251345.db2.gz RPHWRUPFMBWLDN-CRAIPNDOSA-N 1 0 399.457 3.512 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(Cl)cc4c3OCC4)CC2)cc1 ZINC000186613773 837315568 /nfs/dbraw/zinc/31/55/68/837315568.db2.gz VQDJEHQVHQUZAC-UHFFFAOYSA-N 1 0 381.907 3.901 20 30 GHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181258363 837910965 /nfs/dbraw/zinc/91/09/65/837910965.db2.gz PHVHSLIRAQZWSK-UHFFFAOYSA-N 1 0 390.409 3.642 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(NCc3cccc(C#N)c3)cc2Br)CC1 ZINC000188884403 837973809 /nfs/dbraw/zinc/97/38/09/837973809.db2.gz IFZXIXGCAGFBCM-UHFFFAOYSA-N 1 0 399.336 3.680 20 30 GHEDRO N#Cc1ccc(NC(=O)N(CCC[NH3+])CC2CCCC2)cc1Br ZINC000415694886 838004194 /nfs/dbraw/zinc/00/41/94/838004194.db2.gz PMZLPTFOXJCZNB-UHFFFAOYSA-N 1 0 379.302 3.694 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C\c1ccccc1C#N ZINC000255121096 838118094 /nfs/dbraw/zinc/11/80/94/838118094.db2.gz UTBLHZFNUYTYAV-FAXUNHAKSA-N 1 0 389.499 3.790 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415809486 838137565 /nfs/dbraw/zinc/13/75/65/838137565.db2.gz VDGATVMOLSSOMW-ZDUSSCGKSA-N 1 0 382.302 3.525 20 30 GHEDRO N#Cc1c(F)cccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000189214117 838241458 /nfs/dbraw/zinc/24/14/58/838241458.db2.gz NEBCNAJXHSUZMO-GCJKJVERSA-N 1 0 377.463 3.824 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182013281 838315109 /nfs/dbraw/zinc/31/51/09/838315109.db2.gz KNQZWBTUCUIJOF-WAIKUNEKSA-N 1 0 395.478 3.864 20 30 GHEDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000513072998 844322647 /nfs/dbraw/zinc/32/26/47/844322647.db2.gz ANJDWCDFAUEEHQ-FYYLOGMGSA-N 1 0 391.515 3.920 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610317812 838385266 /nfs/dbraw/zinc/38/52/66/838385266.db2.gz DWBFRMFSLCHYQU-QGZVFWFLSA-N 1 0 377.492 3.501 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000510309412 838404592 /nfs/dbraw/zinc/40/45/92/838404592.db2.gz FTSSYDNQERKZHZ-UHFFFAOYSA-N 1 0 375.669 3.622 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000610323068 838445085 /nfs/dbraw/zinc/44/50/85/838445085.db2.gz RQSAUTUWCMUDSP-KXBFYZLASA-N 1 0 384.505 3.833 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000609331487 838476745 /nfs/dbraw/zinc/47/67/45/838476745.db2.gz NTXHDDJMLHANII-UHFFFAOYSA-N 1 0 378.929 3.576 20 30 GHEDRO C[C@H]1CC[C@H](Oc2c(Br)cc(Br)cc2C=NO)C[NH2+]1 ZINC001218403995 838486399 /nfs/dbraw/zinc/48/63/99/838486399.db2.gz YWHIIPKHZVVEQC-KWQFWETISA-N 1 0 392.091 3.539 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000188055744 838508112 /nfs/dbraw/zinc/50/81/12/838508112.db2.gz CNSJLTVASSTPHV-YLJYHZDGSA-N 1 0 385.552 3.666 20 30 GHEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000188117552 838539482 /nfs/dbraw/zinc/53/94/82/838539482.db2.gz KCMPFRXPWKBYIE-UHFFFAOYSA-N 1 0 381.476 3.678 20 30 GHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549113730 838563699 /nfs/dbraw/zinc/56/36/99/838563699.db2.gz QNQWLXKOUAJRBT-RXVVDRJESA-N 1 0 389.421 3.909 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000610346522 838583038 /nfs/dbraw/zinc/58/30/38/838583038.db2.gz VYBSCAFONDIEJN-JKSUJKDBSA-N 1 0 385.895 3.788 20 30 GHEDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610349325 838596410 /nfs/dbraw/zinc/59/64/10/838596410.db2.gz BMDIRMMVAPHESP-WIYYLYMNSA-N 1 0 376.504 3.831 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CCO)C2CCCCC2)sc2c1CCCC2 ZINC000181510919 838629336 /nfs/dbraw/zinc/62/93/36/838629336.db2.gz LTGIXXKFNNECGN-GOSISDBHSA-N 1 0 389.565 3.748 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)C(C)C)cc1OCC ZINC000237059266 844365310 /nfs/dbraw/zinc/36/53/10/844365310.db2.gz TYCNTEPCIWKFSP-SFHVURJKSA-N 1 0 386.330 3.909 20 30 GHEDRO CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)[C@@H](C[NH3+])C1 ZINC000415026406 839077987 /nfs/dbraw/zinc/07/79/87/839077987.db2.gz UGEGQZFOXWSBLE-IEBWSBKVSA-N 1 0 394.475 3.629 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC(C)=C(c3ccco3)C2)c(OC)c1 ZINC000549162733 839101016 /nfs/dbraw/zinc/10/10/16/839101016.db2.gz SEJHZNLZHDAYLQ-LJQANCHMSA-N 1 0 383.488 3.936 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1cc(C#N)ccc1OC ZINC000050091880 839156490 /nfs/dbraw/zinc/15/64/90/839156490.db2.gz NYCVGCOJZSEVDA-UHFFFAOYSA-N 1 0 396.491 3.609 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000415075501 839162856 /nfs/dbraw/zinc/16/28/56/839162856.db2.gz BNKZOWZFFRNLCL-UHFFFAOYSA-N 1 0 380.448 3.752 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000549174268 839167349 /nfs/dbraw/zinc/16/73/49/839167349.db2.gz ULXSFZWSEJNADC-HNAYVOBHSA-N 1 0 388.427 3.773 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000415079554 839167596 /nfs/dbraw/zinc/16/75/96/839167596.db2.gz IAYUCHXYDQNTFK-UHFFFAOYSA-N 1 0 380.448 3.575 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000415074453 839170905 /nfs/dbraw/zinc/17/09/05/839170905.db2.gz AAFBRXLBFNFFSE-WBVHZDCISA-N 1 0 394.475 3.950 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)cc1 ZINC000415079077 839174324 /nfs/dbraw/zinc/17/43/24/839174324.db2.gz HENVNYGSVFOQMT-LJQANCHMSA-N 1 0 382.464 3.854 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415090532 839181244 /nfs/dbraw/zinc/18/12/44/839181244.db2.gz XUBASOBWHJLXSZ-WBVHZDCISA-N 1 0 380.448 3.751 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415113354 839222333 /nfs/dbraw/zinc/22/23/33/839222333.db2.gz BYUUTDFXKMWQDY-JOCHJYFZSA-N 1 0 378.476 3.648 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415118742 839232077 /nfs/dbraw/zinc/23/20/77/839232077.db2.gz HLPGCBGGPDRFHG-OAQYLSRUSA-N 1 0 392.503 3.955 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415121266 839241128 /nfs/dbraw/zinc/24/11/28/839241128.db2.gz JPYXHBCFSBYUIC-LPHOPBHVSA-N 1 0 378.476 3.647 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000415134922 839250554 /nfs/dbraw/zinc/25/05/54/839250554.db2.gz WKZQIMXMSVQWRZ-ZBFHGGJFSA-N 1 0 397.357 3.829 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN3Cc3ccccn3)cn2)c1 ZINC000610423936 839275877 /nfs/dbraw/zinc/27/58/77/839275877.db2.gz JZERERNJTDJBHD-OAQYLSRUSA-N 1 0 399.454 3.744 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC000892880857 839309697 /nfs/dbraw/zinc/30/96/97/839309697.db2.gz MHLDAFQTASWOIC-ZACQAIPSSA-N 1 0 376.463 3.527 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)c1 ZINC000472748044 839367247 /nfs/dbraw/zinc/36/72/47/839367247.db2.gz IBDOSMGASIIMSW-HXUWFJFHSA-N 1 0 375.513 3.606 20 30 GHEDRO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2cccc(Cl)c21 ZINC000330215166 839428920 /nfs/dbraw/zinc/42/89/20/839428920.db2.gz GTPQKOMWLCDWRL-AEFFLSMTSA-N 1 0 391.943 3.729 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](c1ccc(OC)nc1)C1CC1 ZINC000626180501 839481554 /nfs/dbraw/zinc/48/15/54/839481554.db2.gz SGOOAWWMPODEAA-QRWLVFNGSA-N 1 0 385.533 3.796 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2n1CC#N)c1ccc(Cl)cc1 ZINC000610445836 839734768 /nfs/dbraw/zinc/73/47/68/839734768.db2.gz AASYDPLQKBRVRH-HXUWFJFHSA-N 1 0 380.879 3.851 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000549281115 839782605 /nfs/dbraw/zinc/78/26/05/839782605.db2.gz WGIQETRDDLZUKZ-UHFFFAOYSA-N 1 0 395.551 3.602 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNc2cccc(-n3cccn3)c2C#N)cc1 ZINC000580570593 839824672 /nfs/dbraw/zinc/82/46/72/839824672.db2.gz DSFDBRWXRYEIOJ-UHFFFAOYSA-N 1 0 375.476 3.687 20 30 GHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H]2CCCO2)c1 ZINC000129274940 844478410 /nfs/dbraw/zinc/47/84/10/844478410.db2.gz IMDHXFCFSWGWQA-LJQANCHMSA-N 1 0 399.516 3.638 20 30 GHEDRO [NH3+]CCNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000415513694 839897356 /nfs/dbraw/zinc/89/73/56/839897356.db2.gz FDBRPRHRYYNFAY-VIFPVBQESA-N 1 0 397.241 3.586 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000579767355 839968221 /nfs/dbraw/zinc/96/82/21/839968221.db2.gz DWQVEOFUVLZSTL-KRWDZBQOSA-N 1 0 385.414 3.663 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)on2)c1 ZINC000579781862 840014923 /nfs/dbraw/zinc/01/49/23/840014923.db2.gz JCBJIUMUUHYUHW-UHFFFAOYSA-N 1 0 386.455 3.739 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1F ZINC000610459080 840101014 /nfs/dbraw/zinc/10/10/14/840101014.db2.gz GNDOGSGBCZISKQ-KRWDZBQOSA-N 1 0 380.467 3.503 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247308604 840175927 /nfs/dbraw/zinc/17/59/27/840175927.db2.gz IDYYHBLRUNBLIK-KCESLBEFSA-N 1 0 391.515 3.598 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cccc(Cl)c3)CC2)cc1 ZINC000053721165 840354996 /nfs/dbraw/zinc/35/49/96/840354996.db2.gz ARAHNSFSMZACRP-UHFFFAOYSA-N 1 0 381.907 3.879 20 30 GHEDRO Cc1nnc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C#N)c1C ZINC000024055411 844547848 /nfs/dbraw/zinc/54/78/48/844547848.db2.gz MOLBRQGFHRCUQA-UHFFFAOYSA-N 1 0 389.425 3.696 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000584688841 840560852 /nfs/dbraw/zinc/56/08/52/840560852.db2.gz LPOTYDHQCDAEQE-NTKDMRAZSA-N 1 0 389.499 3.791 20 30 GHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc2cc(C#N)ccc2n1 ZINC000537872459 840564411 /nfs/dbraw/zinc/56/44/11/840564411.db2.gz DAGBZITVIQFDNO-UHFFFAOYSA-N 1 0 391.563 3.739 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511610298 840565064 /nfs/dbraw/zinc/56/50/64/840565064.db2.gz LTTDEFFWQPGDOK-SCLBCKFNSA-N 1 0 383.414 3.634 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511610296 840565098 /nfs/dbraw/zinc/56/50/98/840565098.db2.gz LTTDEFFWQPGDOK-FZKQIMNGSA-N 1 0 383.414 3.634 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511610300 840565355 /nfs/dbraw/zinc/56/53/55/840565355.db2.gz LTTDEFFWQPGDOK-UGSOOPFHSA-N 1 0 383.414 3.634 20 30 GHEDRO FC(F)C(F)(F)COCC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511765895 840691881 /nfs/dbraw/zinc/69/18/81/840691881.db2.gz XYLYJIJCKDBIAS-UHFFFAOYSA-N 1 0 399.310 3.898 20 30 GHEDRO COCCC1(c2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)no2)CC[NH2+]CC1 ZINC001211509549 840794171 /nfs/dbraw/zinc/79/41/71/840794171.db2.gz ZXICACAZCXFZLG-UHFFFAOYSA-N 1 0 388.471 3.933 20 30 GHEDRO COCCN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000124227121 840835381 /nfs/dbraw/zinc/83/53/81/840835381.db2.gz UABVTSLCBJANJP-UHFFFAOYSA-N 1 0 379.382 3.543 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000151068808 844579479 /nfs/dbraw/zinc/57/94/79/844579479.db2.gz YSXGHVJOZQMYGY-UHFFFAOYSA-N 1 0 383.442 3.821 20 30 GHEDRO Cc1ccc(C)c([C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccccc2)c1 ZINC000588401806 840845053 /nfs/dbraw/zinc/84/50/53/840845053.db2.gz HENHOSHAZOSCHV-FBNDGMMSSA-N 1 0 375.472 3.509 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000091073618 844588144 /nfs/dbraw/zinc/58/81/44/844588144.db2.gz RMTOMWYIIFLLCX-GCJKJVERSA-N 1 0 375.520 3.501 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418567435 840925884 /nfs/dbraw/zinc/92/58/84/840925884.db2.gz WYOCHMRMSDRMKR-IFMALSPDSA-N 1 0 397.494 3.678 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000091073617 844598339 /nfs/dbraw/zinc/59/83/39/844598339.db2.gz RMTOMWYIIFLLCX-XMSQKQJNSA-N 1 0 375.520 3.501 20 30 GHEDRO O=C(CC[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)Nc1cccc(F)c1 ZINC000328769472 841107718 /nfs/dbraw/zinc/10/77/18/841107718.db2.gz QQUXTCTWKXTGDD-UHFFFAOYSA-N 1 0 375.488 3.918 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000558453179 841162881 /nfs/dbraw/zinc/16/28/81/841162881.db2.gz YQFCGKQBZGJOFW-LJQANCHMSA-N 1 0 388.519 3.627 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000120634650 844618907 /nfs/dbraw/zinc/61/89/07/844618907.db2.gz LNTYHVDCGCCWSJ-UHFFFAOYSA-N 1 0 395.478 3.543 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000255301729 841361249 /nfs/dbraw/zinc/36/12/49/841361249.db2.gz TXQSFBDLIXEPOC-YFHOEESVSA-N 1 0 377.513 3.801 20 30 GHEDRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329246238 861198492 /nfs/dbraw/zinc/19/84/92/861198492.db2.gz APDHEGWLLXOKFC-KBPBESRZSA-N 1 0 398.334 3.773 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000661117984 841421204 /nfs/dbraw/zinc/42/12/04/841421204.db2.gz VOJIDSIAOOTFDK-HOCLYGCPSA-N 1 0 387.480 3.987 20 30 GHEDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000329251701 861208000 /nfs/dbraw/zinc/20/80/00/861208000.db2.gz YDRMZVXFNBCYGW-YQVWRLOYSA-N 1 0 378.561 3.821 20 30 GHEDRO C#Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)cn1 ZINC000728816441 841530683 /nfs/dbraw/zinc/53/06/83/841530683.db2.gz KVONSXOQAGCBNT-UHFFFAOYSA-N 1 0 382.895 3.501 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(OC)cc(C(F)(F)F)c1)CC2 ZINC001143513534 841533878 /nfs/dbraw/zinc/53/38/78/841533878.db2.gz IMBZPHOYNXJPPP-UHFFFAOYSA-N 1 0 382.426 3.857 20 30 GHEDRO C[C@H](CNC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)[NH+]1CCC(C)CC1 ZINC000329259845 861211734 /nfs/dbraw/zinc/21/17/34/861211734.db2.gz AHZXAGVLQLKIJZ-IEBWSBKVSA-N 1 0 396.539 3.643 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000893439448 841556675 /nfs/dbraw/zinc/55/66/75/841556675.db2.gz GNHYIYNTAZOZMV-UZLBHIALSA-N 1 0 382.533 3.672 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000156251875 841587560 /nfs/dbraw/zinc/58/75/60/841587560.db2.gz MONDQPFLYQBEKC-UHFFFAOYSA-N 1 0 393.491 3.527 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1OC ZINC000623572640 861218566 /nfs/dbraw/zinc/21/85/66/861218566.db2.gz ISMIOKXWAQRPLQ-OAHLLOKOSA-N 1 0 380.916 3.650 20 30 GHEDRO CC(C)(C)C1CCC(C#N)(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000594341040 841683692 /nfs/dbraw/zinc/68/36/92/841683692.db2.gz DQYTUNLTIKYAKO-IDYZSHNDSA-N 1 0 377.598 3.819 20 30 GHEDRO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC000064988272 841821944 /nfs/dbraw/zinc/82/19/44/841821944.db2.gz QGLBDTYGMNUQKG-UHFFFAOYSA-N 1 0 389.496 3.776 20 30 GHEDRO COC(=O)c1ccccc1-c1ccc(C[NH2+]CCOc2ccc(C#N)cc2)o1 ZINC000482206096 842064957 /nfs/dbraw/zinc/06/49/57/842064957.db2.gz DKVPWZYAMDFYRI-UHFFFAOYSA-N 1 0 376.412 3.773 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329307851 861269054 /nfs/dbraw/zinc/26/90/54/861269054.db2.gz YONKAUJXHUIQQA-YFHUEUNASA-N 1 0 380.577 3.780 20 30 GHEDRO O=C(N1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1)C(F)(F)C(F)F ZINC001273094140 861270221 /nfs/dbraw/zinc/27/02/21/861270221.db2.gz JTDWHJSNZKQBOS-UHFFFAOYSA-N 1 0 378.332 3.544 20 30 GHEDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000661784546 842168928 /nfs/dbraw/zinc/16/89/28/842168928.db2.gz QHWWCMVTFKVLLZ-MJGOQNOKSA-N 1 0 377.410 3.671 20 30 GHEDRO CC(C)(C)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)cc1 ZINC000599527154 861288573 /nfs/dbraw/zinc/28/85/73/861288573.db2.gz GIKVDMNJKWUIDU-UHFFFAOYSA-N 1 0 378.314 3.612 20 30 GHEDRO N#C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000581832746 842256939 /nfs/dbraw/zinc/25/69/39/842256939.db2.gz RCSREHYKCXUAEM-PKOBYXMFSA-N 1 0 398.304 3.652 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@]4(C3)CCCOC4)sc2C1 ZINC000585756199 842264604 /nfs/dbraw/zinc/26/46/04/842264604.db2.gz LLPJEKLQMXRJMA-VFNWGFHPSA-N 1 0 387.549 3.576 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3csc(C(F)(F)F)n3)CC2)cc1 ZINC000891540109 842276404 /nfs/dbraw/zinc/27/64/04/842276404.db2.gz HZXCJBVUQCBWMX-UHFFFAOYSA-N 1 0 380.439 3.741 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000157963064 842288064 /nfs/dbraw/zinc/28/80/64/842288064.db2.gz WOLQNJGOZZAEDE-GOSISDBHSA-N 1 0 383.517 3.730 20 30 GHEDRO CCO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000120409078 842367211 /nfs/dbraw/zinc/36/72/11/842367211.db2.gz DYMQOHFXZAMHEM-KRWDZBQOSA-N 1 0 384.549 3.820 20 30 GHEDRO CC(C)(CNC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)[NH+]1CCCCC1 ZINC000329344510 861308349 /nfs/dbraw/zinc/30/83/49/861308349.db2.gz QNSVTVROUZNPSL-SFHVURJKSA-N 1 0 396.539 3.787 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000512151879 842656101 /nfs/dbraw/zinc/65/61/01/842656101.db2.gz IIIURNDYHULRNF-MRXNPFEDSA-N 1 0 379.884 3.552 20 30 GHEDRO C[C@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)NC(=O)c1ccccc1 ZINC000328872592 842746258 /nfs/dbraw/zinc/74/62/58/842746258.db2.gz DWRHTIJQYYDPOT-LJQANCHMSA-N 1 0 385.552 3.884 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c[nH]nc3-c3ccsc3)CC2)nc1 ZINC000548364525 842810388 /nfs/dbraw/zinc/81/03/88/842810388.db2.gz ZHBYIHOPCDSLBS-UHFFFAOYSA-N 1 0 379.489 3.885 20 30 GHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000028338431 861347971 /nfs/dbraw/zinc/34/79/71/861347971.db2.gz KWHUKHFUOWKFHA-OLZOCXBDSA-N 1 0 384.867 3.848 20 30 GHEDRO N#CCc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000510572478 842972795 /nfs/dbraw/zinc/97/27/95/842972795.db2.gz SEGPXTGWZCAIJS-QHCPKHFHSA-N 1 0 375.516 3.856 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CC1(O)CCCCCC1 ZINC000187334725 842998719 /nfs/dbraw/zinc/99/87/19/842998719.db2.gz JGGDCUSDISLGMZ-QGZVFWFLSA-N 1 0 389.565 3.894 20 30 GHEDRO CC1CCC([NH+]2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001126217933 843014551 /nfs/dbraw/zinc/01/45/51/843014551.db2.gz IALOGXTTYCMUKY-UHFFFAOYSA-N 1 0 378.438 3.780 20 30 GHEDRO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000610581452 843062795 /nfs/dbraw/zinc/06/27/95/843062795.db2.gz DKBUVGKSCZRSHX-SLFFLAALSA-N 1 0 395.528 3.825 20 30 GHEDRO N#CCCn1cc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000279452342 843064907 /nfs/dbraw/zinc/06/49/07/843064907.db2.gz SUUOMSMUFRJCKU-IBGZPJMESA-N 1 0 375.451 3.987 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000329404436 861377591 /nfs/dbraw/zinc/37/75/91/861377591.db2.gz BMGJOBCSYQNOAR-IDZYALCFSA-N 1 0 397.494 3.510 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000599599840 861396908 /nfs/dbraw/zinc/39/69/08/861396908.db2.gz FUKWCVFKOPLALF-GOSISDBHSA-N 1 0 398.894 3.625 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)c(C#N)c1 ZINC000548414001 843305767 /nfs/dbraw/zinc/30/57/67/843305767.db2.gz TUNZNTBMRHXJME-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO C=CCC1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CCCCC1 ZINC000599611089 861408213 /nfs/dbraw/zinc/40/82/13/861408213.db2.gz WWUQPVOILGINDW-UHFFFAOYSA-N 1 0 386.540 3.820 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662598458 843434639 /nfs/dbraw/zinc/43/46/39/843434639.db2.gz UAWBZTPCIBYMML-NRFANRHFSA-N 1 0 390.549 3.571 20 30 GHEDRO Cc1cccc([C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)C)c1 ZINC000599629551 861418731 /nfs/dbraw/zinc/41/87/31/861418731.db2.gz IWUOJETVQBNYSP-JOCHJYFZSA-N 1 0 387.487 3.978 20 30 GHEDRO C=CC[C@@]1(C(=O)NCc2cccnc2Oc2ccc(OCCC)cc2)CCC[NH2+]1 ZINC000662686535 843517957 /nfs/dbraw/zinc/51/79/57/843517957.db2.gz OMLJUDOKSRSGSE-QHCPKHFHSA-N 1 0 395.503 3.977 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc(OC)c1O ZINC000092004559 843542956 /nfs/dbraw/zinc/54/29/56/843542956.db2.gz DFSILSVHIWHOBE-IBGZPJMESA-N 1 0 395.503 3.683 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cc1 ZINC000432718707 843583680 /nfs/dbraw/zinc/58/36/80/843583680.db2.gz QCICJWYYYJCFDX-UHFFFAOYSA-N 1 0 380.492 3.597 20 30 GHEDRO COc1ccc2cc(C(=O)NCC3([NH+]4CCCCC4)CCOCC3)c(C)nc2c1 ZINC000329452997 861456757 /nfs/dbraw/zinc/45/67/57/861456757.db2.gz LYXHOFROTMOTBE-UHFFFAOYSA-N 1 0 397.519 3.892 20 30 GHEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000127396092 843759829 /nfs/dbraw/zinc/75/98/29/843759829.db2.gz NCCCJGFXJNUSQJ-QFIPXVFZSA-N 1 0 394.519 3.791 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738837 843806870 /nfs/dbraw/zinc/80/68/70/843806870.db2.gz KKVKONSJZBJRNR-LJQANCHMSA-N 1 0 389.499 3.843 20 30 GHEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000512443813 843819698 /nfs/dbraw/zinc/81/96/98/843819698.db2.gz HQCPFCJAMCGAEU-JKSUJKDBSA-N 1 0 389.565 3.843 20 30 GHEDRO C[C@@H]1CN([C@H](C[NH2+]Cc2ccc(C#N)cc2)c2c(F)cccc2Cl)CCO1 ZINC000512838639 843874430 /nfs/dbraw/zinc/87/44/30/843874430.db2.gz GRLAYMIPWBYOCS-FOIQADDNSA-N 1 0 387.886 3.902 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419307370 843963048 /nfs/dbraw/zinc/96/30/48/843963048.db2.gz ZUJZQADYNHKUGX-MRXNPFEDSA-N 1 0 375.444 3.934 20 30 GHEDRO C[C@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329466706 861479530 /nfs/dbraw/zinc/47/95/30/861479530.db2.gz VRYYQLJDTRJOON-IRXDYDNUSA-N 1 0 387.524 3.679 20 30 GHEDRO Cc1ccc(C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccn2)cc1 ZINC000573763998 844663942 /nfs/dbraw/zinc/66/39/42/844663942.db2.gz UWSXAJVHGIQESW-QPPBQGQZSA-N 1 0 387.483 3.575 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[C@H]2C1 ZINC000329471893 861494968 /nfs/dbraw/zinc/49/49/68/861494968.db2.gz ZWDKGDZTJMRBIO-UTKZUKDTSA-N 1 0 376.460 3.922 20 30 GHEDRO C=CCc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000614152092 844745660 /nfs/dbraw/zinc/74/56/60/844745660.db2.gz UHNXUCJEELAUEG-UHFFFAOYSA-N 1 0 378.516 3.883 20 30 GHEDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159545 844791211 /nfs/dbraw/zinc/79/12/11/844791211.db2.gz CTNNPAMKBGGJFF-UHFFFAOYSA-N 1 0 385.552 3.631 20 30 GHEDRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1C ZINC000433011637 844916435 /nfs/dbraw/zinc/91/64/35/844916435.db2.gz PHEYDTWOCUHZFB-HXUWFJFHSA-N 1 0 378.476 3.976 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000610983257 844979316 /nfs/dbraw/zinc/97/93/16/844979316.db2.gz USRZKCFNUGPQIZ-OAQYLSRUSA-N 1 0 376.504 3.930 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000458325357 845005291 /nfs/dbraw/zinc/00/52/91/845005291.db2.gz SSIJOYOCORILSP-UHFFFAOYSA-N 1 0 381.442 3.855 20 30 GHEDRO COC[C@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCc2ccccc21 ZINC000599682452 861523721 /nfs/dbraw/zinc/52/37/21/861523721.db2.gz JMSOORLPVRKXPA-HNAYVOBHSA-N 1 0 383.517 3.973 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000513200327 845042923 /nfs/dbraw/zinc/04/29/23/845042923.db2.gz HZKOIKLSVQCCCM-FQEVSTJZSA-N 1 0 390.405 3.947 20 30 GHEDRO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000247219136 845056033 /nfs/dbraw/zinc/05/60/33/845056033.db2.gz SLLUUGDHQRVSDI-XLIONFOSSA-N 1 0 375.488 3.742 20 30 GHEDRO C=CCc1ccc(OCC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000181550402 845095178 /nfs/dbraw/zinc/09/51/78/845095178.db2.gz UGROEEJXKPDLKS-IEBWSBKVSA-N 1 0 386.536 3.572 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C#N)CCc1ccccc1)[NH+]1CCCC1 ZINC000433106024 845305738 /nfs/dbraw/zinc/30/57/38/845305738.db2.gz SKZNJZXGZIKJEJ-RBBKRZOGSA-N 1 0 391.515 3.721 20 30 GHEDRO CCc1ccc([C@H]2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)cc1 ZINC000513374652 845333134 /nfs/dbraw/zinc/33/31/34/845333134.db2.gz BBWLSHDSIPPNMX-NRFANRHFSA-N 1 0 382.529 3.774 20 30 GHEDRO CN(CCCC[NH+](C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000614287202 845526160 /nfs/dbraw/zinc/52/61/60/845526160.db2.gz PRGSOEVNPCBGNR-UHFFFAOYSA-N 1 0 393.491 3.616 20 30 GHEDRO N#CCCn1cc(CNCc2c(F)cc(F)c(F)c2F)c(-c2ccncc2)n1 ZINC000430026986 845604884 /nfs/dbraw/zinc/60/48/84/845604884.db2.gz QWDAQQOTTHJDRN-UHFFFAOYSA-N 1 0 389.356 3.705 20 30 GHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC001167509368 845850265 /nfs/dbraw/zinc/85/02/65/845850265.db2.gz MPKRPJDERDBLPG-FCHUYYIVSA-N 1 0 377.488 3.541 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001167539436 846105812 /nfs/dbraw/zinc/10/58/12/846105812.db2.gz NJMWMDTYOAETQE-KRWDZBQOSA-N 1 0 397.441 3.602 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)[NH+](C)C)c1 ZINC000072019933 846237168 /nfs/dbraw/zinc/23/71/68/846237168.db2.gz IWYRBRQELJHPKG-FQEVSTJZSA-N 1 0 396.491 3.778 20 30 GHEDRO C[C@@]1(CNC(=O)NCc2ccc(C#N)cc2F)CCC[N@@H+]1Cc1ccccc1 ZINC000614493481 846250349 /nfs/dbraw/zinc/25/03/49/846250349.db2.gz YBXHRZUHQKPPTB-QFIPXVFZSA-N 1 0 380.467 3.551 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000539607086 846330153 /nfs/dbraw/zinc/33/01/53/846330153.db2.gz YJXDZRNEALKNFI-SWLSCSKDSA-N 1 0 393.256 3.550 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[N@H+](C)CC[C@H]2C)cc1OCC ZINC000513756162 846488487 /nfs/dbraw/zinc/48/84/87/846488487.db2.gz WTIYFVWVVPCKGW-OAHLLOKOSA-N 1 0 397.357 3.939 20 30 GHEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000551777499 846516281 /nfs/dbraw/zinc/51/62/81/846516281.db2.gz LOFFUWVQBCMGFQ-HKDUHGGJSA-N 1 0 389.499 3.844 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc1OCc1cccc(C#N)c1 ZINC000502843470 846535536 /nfs/dbraw/zinc/53/55/36/846535536.db2.gz STJHKXNGDPLLIF-LEWJYISDSA-N 1 0 380.488 3.787 20 30 GHEDRO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502971630 846658291 /nfs/dbraw/zinc/65/82/91/846658291.db2.gz LOSLKFNPGNUAMF-OAHLLOKOSA-N 1 0 396.491 3.836 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000502991574 846681800 /nfs/dbraw/zinc/68/18/00/846681800.db2.gz OCHIJCUDDRXKKV-NYLDSWQDSA-N 1 0 398.551 3.812 20 30 GHEDRO C[NH+](C)CCN(Cc1ccsc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000413460822 846693645 /nfs/dbraw/zinc/69/36/45/846693645.db2.gz UQYDGLNRQQJKEI-UHFFFAOYSA-N 1 0 381.461 3.644 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419614044 846700245 /nfs/dbraw/zinc/70/02/45/846700245.db2.gz MARPGKFBIIJHJX-QFIPXVFZSA-N 1 0 392.503 3.835 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000503070441 846767724 /nfs/dbraw/zinc/76/77/24/846767724.db2.gz VYLYMQZJAOSFPN-QHCPKHFHSA-N 1 0 391.515 3.656 20 30 GHEDRO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(C2CCCCC2)no1 ZINC000329589500 861715913 /nfs/dbraw/zinc/71/59/13/861715913.db2.gz ZJKPRDGHHRTUHO-JTUUTPGSSA-N 1 0 375.517 3.649 20 30 GHEDRO COc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(F)cc1C#N ZINC000599818211 861719874 /nfs/dbraw/zinc/71/98/74/861719874.db2.gz SHMSWWJPPZXHBQ-UHFFFAOYSA-N 1 0 396.466 3.801 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(CCCC)cc2)C(C)C)CC1 ZINC000555750290 861732552 /nfs/dbraw/zinc/73/25/52/861732552.db2.gz ZERGFGIARXIPDS-QFIPXVFZSA-N 1 0 399.579 3.609 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1ccccc1[N+](=O)[O-] ZINC000511105665 846990031 /nfs/dbraw/zinc/99/00/31/846990031.db2.gz FRVCXXBSZBENEM-UHFFFAOYSA-N 1 0 386.839 3.623 20 30 GHEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC000329602902 861749785 /nfs/dbraw/zinc/74/97/85/861749785.db2.gz LBZBZBUVUGVJNB-RDTXWAMCSA-N 1 0 388.487 3.789 20 30 GHEDRO COc1ccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)[NH+]2CCCCC2)cc1 ZINC000272704200 847150525 /nfs/dbraw/zinc/15/05/25/847150525.db2.gz ZRSBTSZEGFKTDZ-FQEVSTJZSA-N 1 0 384.524 3.557 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1OCCCC#N ZINC000152484800 847176094 /nfs/dbraw/zinc/17/60/94/847176094.db2.gz SVNBOZOPDIHKOD-HXUWFJFHSA-N 1 0 399.535 3.649 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000582442079 847239247 /nfs/dbraw/zinc/23/92/47/847239247.db2.gz DULZFOANJSYILA-AVRDEDQJSA-N 1 0 399.560 3.743 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COc1cccc(C(C)=O)c1)c1ccc(F)c(F)c1 ZINC000187762402 847291779 /nfs/dbraw/zinc/29/17/79/847291779.db2.gz BABBWZVKKNCOTE-LAUBAEHRSA-N 1 0 375.415 3.814 20 30 GHEDRO CCC[N@H+](CC)CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000472227075 847320475 /nfs/dbraw/zinc/32/04/75/847320475.db2.gz XJBLPRBVQGMPEU-UHFFFAOYSA-N 1 0 381.524 3.542 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNc2cncc(C#N)n2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000420593376 847330447 /nfs/dbraw/zinc/33/04/47/847330447.db2.gz BRJKKQOVUUPWIB-KBXCAEBGSA-N 1 0 375.398 3.862 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000420664299 847375072 /nfs/dbraw/zinc/37/50/72/847375072.db2.gz QDWOEOYUZFCLHN-UHFFFAOYSA-N 1 0 383.583 3.720 20 30 GHEDRO N#Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000501998501 847379615 /nfs/dbraw/zinc/37/96/15/847379615.db2.gz ZFNYOBPHPOOTAU-UHFFFAOYSA-N 1 0 397.910 3.545 20 30 GHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000604103231 861788259 /nfs/dbraw/zinc/78/82/59/861788259.db2.gz BZJVDGNLYSUZSK-HNNXBMFYSA-N 1 0 386.446 3.671 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)s1 ZINC000420855499 847490882 /nfs/dbraw/zinc/49/08/82/847490882.db2.gz CAQCYLNCGOJQTQ-LJQANCHMSA-N 1 0 382.533 3.720 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000582526369 847498883 /nfs/dbraw/zinc/49/88/83/847498883.db2.gz YIWNMMKTXIBUHP-UXHICEINSA-N 1 0 389.455 3.619 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000503264100 847536136 /nfs/dbraw/zinc/53/61/36/847536136.db2.gz IRNIXLQCFYWLSC-LJQANCHMSA-N 1 0 389.293 3.955 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)Cc1ccccc1 ZINC000179861201 861821474 /nfs/dbraw/zinc/82/14/74/861821474.db2.gz ANQRUMUNTWSGIF-JOCHJYFZSA-N 1 0 375.516 3.925 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C#N)c(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000562092570 847731183 /nfs/dbraw/zinc/73/11/83/847731183.db2.gz WEFZTVRJXYYNTR-SFTDATJTSA-N 1 0 394.450 3.805 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)c(C#N)c1C ZINC000503525356 847769082 /nfs/dbraw/zinc/76/90/82/847769082.db2.gz DEVGZASFBXTGKU-RYGJVYDSSA-N 1 0 381.476 3.823 20 30 GHEDRO COc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000599857243 861827398 /nfs/dbraw/zinc/82/73/98/861827398.db2.gz IPOJCBDSJUXAOI-UHFFFAOYSA-N 1 0 378.476 3.615 20 30 GHEDRO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000503745585 847919953 /nfs/dbraw/zinc/91/99/53/847919953.db2.gz GZHDGDCJVAJQGJ-VXKWHMMOSA-N 1 0 382.552 3.990 20 30 GHEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC2)c1 ZINC000366887879 847952875 /nfs/dbraw/zinc/95/28/75/847952875.db2.gz WQNKFQJBHLNKRT-FQEVSTJZSA-N 1 0 389.499 3.564 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000472249543 848166504 /nfs/dbraw/zinc/16/65/04/848166504.db2.gz JRRIFIRUYWRZPF-KOENEWCDSA-N 1 0 392.547 3.600 20 30 GHEDRO COc1cccc(N2CC[C@H](C[NH2+]Cc3cccc(OCCCC#N)c3)C2)c1 ZINC000237470799 848273478 /nfs/dbraw/zinc/27/34/78/848273478.db2.gz CQHBKPSXTNXCQB-HXUWFJFHSA-N 1 0 379.504 3.994 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ncc(C#N)cc3Cl)C2)s1 ZINC000582790855 848382623 /nfs/dbraw/zinc/38/26/23/848382623.db2.gz IKNAJGKRYSBLTB-CQSZACIVSA-N 1 0 388.924 3.571 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COCc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187769742 848450420 /nfs/dbraw/zinc/45/04/20/848450420.db2.gz FPWQQJFSGYIAKP-DYESRHJHSA-N 1 0 377.431 3.758 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731903729 861950209 /nfs/dbraw/zinc/95/02/09/861950209.db2.gz SIAQWKDDTAPAFY-INIZCTEOSA-N 1 0 386.839 3.902 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000481655029 861958743 /nfs/dbraw/zinc/95/87/43/861958743.db2.gz WAVOASCLODRJGD-VJTSUQJLSA-N 1 0 389.543 3.798 20 30 GHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431518559 848933276 /nfs/dbraw/zinc/93/32/76/848933276.db2.gz LCFLOFSTZXQBAX-LJQANCHMSA-N 1 0 378.438 3.970 20 30 GHEDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000583059565 848987284 /nfs/dbraw/zinc/98/72/84/848987284.db2.gz UUQRSMAVMYZKQN-GOTSBHOMSA-N 1 0 386.499 3.754 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000481667806 861970997 /nfs/dbraw/zinc/97/09/97/861970997.db2.gz KJLNZSBFQZUJGH-ZHRRBRCNSA-N 1 0 397.544 3.927 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000731972456 861988874 /nfs/dbraw/zinc/98/88/74/861988874.db2.gz NYDHARRYPZVHLB-IBGZPJMESA-N 1 0 391.515 3.822 20 30 GHEDRO Cc1nc(SCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c(C#N)c(C)c1C ZINC000248007562 849182450 /nfs/dbraw/zinc/18/24/50/849182450.db2.gz AYSMXXSXPFISBF-UHFFFAOYSA-N 1 0 396.560 3.609 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180177287 861997001 /nfs/dbraw/zinc/99/70/01/861997001.db2.gz IGDHMPVMFDJCPT-UHFFFAOYSA-N 1 0 375.516 3.878 20 30 GHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000329125068 849281092 /nfs/dbraw/zinc/28/10/92/849281092.db2.gz XWMXTUDASCBIFG-UHFFFAOYSA-N 1 0 381.520 3.996 20 30 GHEDRO CCOc1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1OCC ZINC000583206475 849330033 /nfs/dbraw/zinc/33/00/33/849330033.db2.gz ISZNFDNYOORAPY-UHFFFAOYSA-N 1 0 379.460 3.573 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213767 849403792 /nfs/dbraw/zinc/40/37/92/849403792.db2.gz CBIZESNVFSRLIZ-AEFFLSMTSA-N 1 0 378.314 3.640 20 30 GHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000522533462 862041814 /nfs/dbraw/zinc/04/18/14/862041814.db2.gz AXRGZKQRVMUZMH-KSZLIROESA-N 1 0 395.503 3.826 20 30 GHEDRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)s2)o1 ZINC000503904376 849752926 /nfs/dbraw/zinc/75/29/26/849752926.db2.gz WOELXDNEXVTVLZ-GOSISDBHSA-N 1 0 392.484 3.868 20 30 GHEDRO O=C(CC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCC1 ZINC000156121254 849761023 /nfs/dbraw/zinc/76/10/23/849761023.db2.gz VMCGJQLFYKSFSG-UHFFFAOYSA-N 1 0 394.437 3.661 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000481699926 862061252 /nfs/dbraw/zinc/06/12/52/862061252.db2.gz YIIYRHVBCAMBED-WOJBJXKFSA-N 1 0 377.573 3.796 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227264672 862062666 /nfs/dbraw/zinc/06/26/66/862062666.db2.gz SJXDKWPPWJEAJC-KNKQGSTJSA-N 1 0 385.552 3.836 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2c(C#N)cccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000425235600 849858367 /nfs/dbraw/zinc/85/83/67/849858367.db2.gz ZISAVEBEOJZBMM-INIZCTEOSA-N 1 0 380.448 3.778 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000504086185 849878102 /nfs/dbraw/zinc/87/81/02/849878102.db2.gz IEMOCOIZGQFVMX-QFIPXVFZSA-N 1 0 392.478 3.799 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000504071383 849879204 /nfs/dbraw/zinc/87/92/04/849879204.db2.gz MTKFWGJHZWBHGY-QHCPKHFHSA-N 1 0 391.515 3.656 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C2)C1 ZINC000505582483 849961668 /nfs/dbraw/zinc/96/16/68/849961668.db2.gz USHATKDAVJXEDG-QHCPKHFHSA-N 1 0 375.472 3.908 20 30 GHEDRO N#Cc1cnc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000514639724 850092626 /nfs/dbraw/zinc/09/26/26/850092626.db2.gz ANJBZMUAJUZBJD-QGZVFWFLSA-N 1 0 382.895 3.639 20 30 GHEDRO COCCC[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000506620000 850120563 /nfs/dbraw/zinc/12/05/63/850120563.db2.gz SNTUMJOTTZISGH-UYAOXDASSA-N 1 0 385.895 3.538 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000510031598 850162996 /nfs/dbraw/zinc/16/29/96/850162996.db2.gz XATVFYRQVBJSHY-OAQYLSRUSA-N 1 0 380.492 3.584 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N(CCOC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000518802316 850169904 /nfs/dbraw/zinc/16/99/04/850169904.db2.gz YGDLHHDJCXEEIC-QFIPXVFZSA-N 1 0 379.504 3.616 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424122940 850237989 /nfs/dbraw/zinc/23/79/89/850237989.db2.gz JKEXBKCEHABQFN-MJGOQNOKSA-N 1 0 383.565 3.743 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000600485064 862109027 /nfs/dbraw/zinc/10/90/27/862109027.db2.gz NJFIDRXMHISGGX-UHFFFAOYSA-N 1 0 380.488 3.656 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000424170002 850275180 /nfs/dbraw/zinc/27/51/80/850275180.db2.gz AQPAGRAEMWNTLD-GOSISDBHSA-N 1 0 391.302 3.938 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000424251793 850314500 /nfs/dbraw/zinc/31/45/00/850314500.db2.gz QURICDWKDZVHKY-QRQLOZEOSA-N 1 0 387.597 3.875 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000424290727 850334548 /nfs/dbraw/zinc/33/45/48/850334548.db2.gz CADWFHYTYNSXDC-AJSBUHFISA-N 1 0 399.556 3.977 20 30 GHEDRO C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(C#N)cc1 ZINC000504834842 850337369 /nfs/dbraw/zinc/33/73/69/850337369.db2.gz FJUUDHXAEBDPTI-OXJNMPFZSA-N 1 0 383.442 3.893 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514819539 850346949 /nfs/dbraw/zinc/34/69/49/850346949.db2.gz WCGBYCBHKUWGLZ-HXUWFJFHSA-N 1 0 393.560 3.827 20 30 GHEDRO CCC(CC)(CNCc1cnc2c(C#N)cnn2c1)[NH2+][C@H](C)c1ccccc1 ZINC000514862962 850374587 /nfs/dbraw/zinc/37/45/87/850374587.db2.gz KPPQMKOWTPVSJX-QGZVFWFLSA-N 1 0 376.508 3.600 20 30 GHEDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000481716572 862124990 /nfs/dbraw/zinc/12/49/90/862124990.db2.gz XTLIQADSVYJMMC-UHFFFAOYSA-N 1 0 396.466 3.834 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000518991541 850474766 /nfs/dbraw/zinc/47/47/66/850474766.db2.gz QGOBKOZALLJGOW-DEOSSOPVSA-N 1 0 392.499 3.907 20 30 GHEDRO C=C(C)CS(=O)(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000435423583 850502548 /nfs/dbraw/zinc/50/25/48/850502548.db2.gz QZVYVFURGLQIJY-UHFFFAOYSA-N 1 0 379.353 3.653 20 30 GHEDRO CSc1ccc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000437989196 850730400 /nfs/dbraw/zinc/73/04/00/850730400.db2.gz UPWLAKHGWPIOQX-UHFFFAOYSA-N 1 0 396.560 3.596 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000435764062 850836626 /nfs/dbraw/zinc/83/66/26/850836626.db2.gz NSROQTRFLODCFK-FUPPJEDESA-N 1 0 398.595 3.894 20 30 GHEDRO C#CCCCc1nnc(N2CCC(CC)([NH+](C)C)CC2)n1Cc1cccs1 ZINC000909919041 850842559 /nfs/dbraw/zinc/84/25/59/850842559.db2.gz JBJVLNSVJSUMJW-UHFFFAOYSA-N 1 0 385.581 3.654 20 30 GHEDRO C[NH+](C)CC1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CCCC1 ZINC000185862622 862181199 /nfs/dbraw/zinc/18/11/99/862181199.db2.gz DESPYYICPSHMAY-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000515410212 850991157 /nfs/dbraw/zinc/99/11/57/850991157.db2.gz SVBRSDWLUDSWDJ-ICSRJNTNSA-N 1 0 383.540 3.518 20 30 GHEDRO N#Cc1ncc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000515427191 851009968 /nfs/dbraw/zinc/00/99/68/851009968.db2.gz PLCXLSAWCMSSDM-DLBZAZTESA-N 1 0 395.894 3.592 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434358025 851029883 /nfs/dbraw/zinc/02/98/83/851029883.db2.gz NWXLUMSICUITLA-CKHPTIKVSA-N 1 0 396.535 3.564 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 ZINC000435984158 851065630 /nfs/dbraw/zinc/06/56/30/851065630.db2.gz SMOPPSKIFUCGCS-QFIPXVFZSA-N 1 0 392.547 3.949 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000425438845 851099816 /nfs/dbraw/zinc/09/98/16/851099816.db2.gz DRPFZYUMYJHOFE-UGKGYDQZSA-N 1 0 390.531 3.825 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000120790175 851146213 /nfs/dbraw/zinc/14/62/13/851146213.db2.gz BLJQRQXPLGJSHG-OAHLLOKOSA-N 1 0 383.442 3.998 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481761505 862224658 /nfs/dbraw/zinc/22/46/58/862224658.db2.gz PPZHXJJDYICOBI-ZWKOTPCHSA-N 1 0 396.304 3.683 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000668837687 851330935 /nfs/dbraw/zinc/33/09/35/851330935.db2.gz KQYOEMVSJMCRSA-SYYKKAFVSA-N 1 0 397.563 3.579 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000162976234 862232703 /nfs/dbraw/zinc/23/27/03/862232703.db2.gz BADLUVKEKMQBOA-DCGLDWPTSA-N 1 0 381.501 3.590 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000436297352 851431981 /nfs/dbraw/zinc/43/19/81/851431981.db2.gz XJYXIHNYBLGITI-IYOUNJFTSA-N 1 0 386.414 3.873 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1ccccc1 ZINC000604493448 862251253 /nfs/dbraw/zinc/25/12/53/862251253.db2.gz RLIASZWUINKZBR-UHFFFAOYSA-N 1 0 397.544 3.628 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C#N)cc1 ZINC000604493102 862253741 /nfs/dbraw/zinc/25/37/41/862253741.db2.gz DTMRZRQRPAIAFL-UHFFFAOYSA-N 1 0 392.459 3.514 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000436381804 851538191 /nfs/dbraw/zinc/53/81/91/851538191.db2.gz BENFUIQAHRAKES-NQIIRXRSSA-N 1 0 387.524 3.654 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000425538768 851566917 /nfs/dbraw/zinc/56/69/17/851566917.db2.gz MCUWSGZUWNHTKB-JBYIUTFZSA-N 1 0 376.504 3.924 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000519557584 851715478 /nfs/dbraw/zinc/71/54/78/851715478.db2.gz OCKKMVCFPSJALB-PGRDOPGGSA-N 1 0 397.544 3.545 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@]3(CC[N@@H+](C)C3)C2)c1Br ZINC000488717685 851721484 /nfs/dbraw/zinc/72/14/84/851721484.db2.gz KWEQVHPBFYVVHZ-IBGZPJMESA-N 1 0 385.309 3.709 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC#Cc3ccccc3)cc2)C1 ZINC000061661039 862276823 /nfs/dbraw/zinc/27/68/23/862276823.db2.gz NWZXWVZTGSIVMD-HXUWFJFHSA-N 1 0 375.516 3.769 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604536093 862287622 /nfs/dbraw/zinc/28/76/22/862287622.db2.gz PRVKWOPTDNLFLW-HSZRJFAPSA-N 1 0 390.531 3.850 20 30 GHEDRO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)ccc1C#N ZINC000488967881 851900743 /nfs/dbraw/zinc/90/07/43/851900743.db2.gz BWQJADQKCHJPNG-NFBKMPQASA-N 1 0 385.471 3.865 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3nsc4ccccc43)CC2)c1 ZINC000911921709 851953120 /nfs/dbraw/zinc/95/31/20/851953120.db2.gz OFAZCKORNCEQMN-UHFFFAOYSA-N 1 0 376.485 3.562 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c(C(F)(F)F)c1 ZINC000517446658 851975040 /nfs/dbraw/zinc/97/50/40/851975040.db2.gz LHQMDEDENUEUJX-MRXNPFEDSA-N 1 0 377.341 3.611 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000506176362 852029018 /nfs/dbraw/zinc/02/90/18/852029018.db2.gz XPIPEWAXAURWTD-CVDCTZTESA-N 1 0 399.535 3.510 20 30 GHEDRO N#CC1(CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)CCOCC1 ZINC000517542211 852072106 /nfs/dbraw/zinc/07/21/06/852072106.db2.gz SCLVDHJSWUFBKD-UHFFFAOYSA-N 1 0 381.520 3.644 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)NCc1ccco1 ZINC000111399650 852126973 /nfs/dbraw/zinc/12/69/73/852126973.db2.gz PUPLIFZGZIOKDL-KRWDZBQOSA-N 1 0 389.455 3.525 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000440474334 852169410 /nfs/dbraw/zinc/16/94/10/852169410.db2.gz QGTDTQFRDNDMOV-FQEVSTJZSA-N 1 0 391.515 3.911 20 30 GHEDRO Cc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000028879950 852206242 /nfs/dbraw/zinc/20/62/42/852206242.db2.gz BZNRMHVEIDMSCF-UHFFFAOYSA-N 1 0 382.895 3.671 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O)c1ccc(C#N)cc1 ZINC000517675256 852229238 /nfs/dbraw/zinc/22/92/38/852229238.db2.gz IMHMPNBCPKGFFC-ZCNNSNEGSA-N 1 0 399.535 3.566 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000489330789 852236247 /nfs/dbraw/zinc/23/62/47/852236247.db2.gz CSPWKSPBZBWTGN-JOCHJYFZSA-N 1 0 377.488 3.549 20 30 GHEDRO CC(C)N1CC[C@H](NC(=O)N2CCC[C@@H]2C(C)(C)O)[C@@H]1c1ccc(F)c(F)c1 ZINC000329813594 862338993 /nfs/dbraw/zinc/33/89/93/862338993.db2.gz DLBWXOQHXXYRCF-OTWHNJEPSA-N 1 0 395.494 3.638 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000150776584 852383038 /nfs/dbraw/zinc/38/30/38/852383038.db2.gz JUGRJGFKBYKEHO-BQYDLMEBSA-N 1 0 384.520 3.750 20 30 GHEDRO CN(CC(=O)Nc1ccccc1SCC#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000426766500 852392263 /nfs/dbraw/zinc/39/22/63/852392263.db2.gz DYSUVYRKXYRJOD-UHFFFAOYSA-N 1 0 388.581 3.827 20 30 GHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000029001308 852399092 /nfs/dbraw/zinc/39/90/92/852399092.db2.gz CWVKVRWKXSLNFJ-RMKNXTFCSA-N 1 0 380.879 3.615 20 30 GHEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000329831667 862356235 /nfs/dbraw/zinc/35/62/35/862356235.db2.gz KPMVAZKBZLTCSL-TZIWHRDSSA-N 1 0 398.551 3.786 20 30 GHEDRO CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 ZINC000438483076 852461810 /nfs/dbraw/zinc/46/18/10/852461810.db2.gz MJHARVDEBMRUAI-QGZVFWFLSA-N 1 0 382.483 3.834 20 30 GHEDRO N#CC1(NC(=O)c2cc3c(cc2O)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000436895922 852481796 /nfs/dbraw/zinc/48/17/96/852481796.db2.gz WFDCYFUVQDXDCY-UHFFFAOYSA-N 1 0 389.499 3.559 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000519587997 852550874 /nfs/dbraw/zinc/55/08/74/852550874.db2.gz LZQCEFNCQUILGN-KCQAQPDRSA-N 1 0 394.313 3.524 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000489843141 852603340 /nfs/dbraw/zinc/60/33/40/852603340.db2.gz SCFPCWCTGJMIDO-AWEZNQCLSA-N 1 0 387.409 3.943 20 30 GHEDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000329853255 862374766 /nfs/dbraw/zinc/37/47/66/862374766.db2.gz VIOUIJMKUQVUSZ-ZIAGYGMSSA-N 1 0 396.457 3.882 20 30 GHEDRO O=C(Nc1csc(-c2ccccn2)n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000329858098 862377463 /nfs/dbraw/zinc/37/74/63/862377463.db2.gz VWNDNOUMRKBYND-RHSMWYFYSA-N 1 0 383.521 3.699 20 30 GHEDRO Cn1c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc2ccc(Cl)cc21 ZINC000506298926 852645388 /nfs/dbraw/zinc/64/53/88/852645388.db2.gz SXLUUAJLFMFQEF-UHFFFAOYSA-N 1 0 393.922 3.806 20 30 GHEDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000489934433 852655526 /nfs/dbraw/zinc/65/55/26/852655526.db2.gz NIMSYKKJKKABJM-JTQLQIEISA-N 1 0 391.331 3.535 20 30 GHEDRO Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cnn1C ZINC000329871494 862387269 /nfs/dbraw/zinc/38/72/69/862387269.db2.gz CNARCYGOTBGNHI-ZXFPDNNPSA-N 1 0 382.508 3.598 20 30 GHEDRO Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cnn1C ZINC000329871493 862387323 /nfs/dbraw/zinc/38/73/23/862387323.db2.gz CNARCYGOTBGNHI-FCBIJRMHSA-N 1 0 382.508 3.598 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)c1cccc(C(C)C)c1 ZINC000669032910 852762268 /nfs/dbraw/zinc/76/22/68/852762268.db2.gz YSQPOLCOCIBYMC-UXHICEINSA-N 1 0 381.524 3.891 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC2(C1)CCCCCC2 ZINC000669034077 852776569 /nfs/dbraw/zinc/77/65/69/852776569.db2.gz HSNOSALUKHYANM-UXHICEINSA-N 1 0 399.583 3.941 20 30 GHEDRO O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000329885878 862397834 /nfs/dbraw/zinc/39/78/34/862397834.db2.gz VHANLWPPQQKNNN-APWZRJJASA-N 1 0 392.425 3.678 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000518148113 852930225 /nfs/dbraw/zinc/93/02/25/852930225.db2.gz ZADNBVYJOODBGN-XMSQKQJNSA-N 1 0 397.544 3.545 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000550287628 852999610 /nfs/dbraw/zinc/99/96/10/852999610.db2.gz ISNYUKPUCBXALF-ZDUSSCGKSA-N 1 0 383.452 3.624 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)c1 ZINC000506032272 853010530 /nfs/dbraw/zinc/01/05/30/853010530.db2.gz WJBMJTGXAZYOGK-GOSISDBHSA-N 1 0 383.492 3.744 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCO[C@@H](CC(C)C)C3)c2)CC1 ZINC000329914589 862418493 /nfs/dbraw/zinc/41/84/93/862418493.db2.gz CORPQNSCWMKYAK-FPOVZHCZSA-N 1 0 388.556 3.557 20 30 GHEDRO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1(O)CCCCCC1 ZINC000426208301 853032972 /nfs/dbraw/zinc/03/29/72/853032972.db2.gz MORRSDFEZCWWGN-UHFFFAOYSA-N 1 0 377.916 3.604 20 30 GHEDRO CC(C)(C)c1ccc(OCCC[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029446394 853112556 /nfs/dbraw/zinc/11/25/56/853112556.db2.gz FISYDNAQVBOYML-UHFFFAOYSA-N 1 0 378.520 3.842 20 30 GHEDRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+]CC(C)(C)CC#N)o2)CC1 ZINC000894855487 853169033 /nfs/dbraw/zinc/16/90/33/853169033.db2.gz SOAISPZOOASANR-UHFFFAOYSA-N 1 0 375.513 3.867 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000180973206 862436007 /nfs/dbraw/zinc/43/60/07/862436007.db2.gz KDMJNLWAWIUXPG-AWEZNQCLSA-N 1 0 383.414 3.621 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)c1 ZINC000439011695 853186842 /nfs/dbraw/zinc/18/68/42/853186842.db2.gz VJIRDSCRMSTYNJ-UHFFFAOYSA-N 1 0 377.875 3.914 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000437500708 853203910 /nfs/dbraw/zinc/20/39/10/853203910.db2.gz MUDDFRFVJPGAAD-CMKODMSKSA-N 1 0 396.453 3.538 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000437509306 853210716 /nfs/dbraw/zinc/21/07/16/853210716.db2.gz UUVNSWLTVPGEBL-UHFFFAOYSA-N 1 0 397.548 3.849 20 30 GHEDRO Brc1ccc(NN=Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000732713010 862442013 /nfs/dbraw/zinc/44/20/13/862442013.db2.gz NQPAUBQPDMEUQF-UHFFFAOYSA-N 1 0 389.297 3.765 20 30 GHEDRO C#CC[N@H+](C)CCCNCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000894863583 853251650 /nfs/dbraw/zinc/25/16/50/853251650.db2.gz JXNODKYLYSYYFD-UHFFFAOYSA-N 1 0 390.940 3.526 20 30 GHEDRO C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@H](c1ccccc1)[NH+](C)C ZINC000439126742 853319800 /nfs/dbraw/zinc/31/98/00/853319800.db2.gz DSJLYSBKRZIHPY-LHSJRXKWSA-N 1 0 375.432 3.540 20 30 GHEDRO Cn1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491109819 853438247 /nfs/dbraw/zinc/43/82/47/853438247.db2.gz JRWRPYUIXTWYPN-UHFFFAOYSA-N 1 0 391.906 3.934 20 30 GHEDRO Cn1c2ccccc2cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1=O ZINC000519763308 853448335 /nfs/dbraw/zinc/44/83/35/853448335.db2.gz SUWJKKTYVHFJQP-UHFFFAOYSA-N 1 0 391.446 3.593 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+]2CCCC2)o1 ZINC000509188227 862466872 /nfs/dbraw/zinc/46/68/72/862466872.db2.gz YDFLGGRZNQEYBU-LJQANCHMSA-N 1 0 383.467 3.830 20 30 GHEDRO O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329976776 862472841 /nfs/dbraw/zinc/47/28/41/862472841.db2.gz ZAGUZEAUVUGPBH-GDBMZVCRSA-N 1 0 393.413 3.844 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000586814085 853540903 /nfs/dbraw/zinc/54/09/03/853540903.db2.gz GUBGYULFGDUKLF-RTWAWAEBSA-N 1 0 395.453 3.819 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000437834563 853594928 /nfs/dbraw/zinc/59/49/28/853594928.db2.gz FMGBWUOXMMIZCF-QFIPXVFZSA-N 1 0 387.524 3.668 20 30 GHEDRO Cc1ccccc1C(=O)C(C(=S)Nc1ccccc1F)[n+]1cccc(CO)c1 ZINC000055011566 853627917 /nfs/dbraw/zinc/62/79/17/853627917.db2.gz HQHZMBXAQAUIKE-UHFFFAOYSA-O 1 0 395.479 3.965 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(=S)NC(C)C)cc1 ZINC000055009667 853628036 /nfs/dbraw/zinc/62/80/36/853628036.db2.gz CWYQKWBSLQBHFU-UHFFFAOYSA-O 1 0 386.541 3.621 20 30 GHEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NCc2cccs2)cc1 ZINC000055027302 853632414 /nfs/dbraw/zinc/63/24/14/853632414.db2.gz AMGGWBMRUNTFME-UHFFFAOYSA-O 1 0 396.561 3.830 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC(C)C)cc1 ZINC000055009590 853634703 /nfs/dbraw/zinc/63/47/03/853634703.db2.gz YYFHRCIEXXIKJQ-UHFFFAOYSA-O 1 0 386.497 3.772 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000439441648 853655174 /nfs/dbraw/zinc/65/51/74/853655174.db2.gz SPGFHQQKBMOZNK-UHFFFAOYSA-N 1 0 385.870 3.879 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)cc1 ZINC000517345901 853691810 /nfs/dbraw/zinc/69/18/10/853691810.db2.gz UDROCEKYZRYDFN-SFHVURJKSA-N 1 0 391.450 3.803 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000571081270 853734815 /nfs/dbraw/zinc/73/48/15/853734815.db2.gz QHMYJHHLUXGWRB-LJQANCHMSA-N 1 0 388.515 3.877 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732797177 862499212 /nfs/dbraw/zinc/49/92/12/862499212.db2.gz NCSWFUYRFLNCTR-QGZVFWFLSA-N 1 0 384.549 3.749 20 30 GHEDRO C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[NH+]1CCC(C)CC1 ZINC000520061973 853797610 /nfs/dbraw/zinc/79/76/10/853797610.db2.gz ORCZXEHRCWWPRU-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)NCC1CCC(C#N)CC1)[NH+]1CCCCC1 ZINC000440988574 853808984 /nfs/dbraw/zinc/80/89/84/853808984.db2.gz MNWOHWDRKCHOBH-GZNCHQMQSA-N 1 0 398.551 3.851 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NC(=O)Oc3ccccc3)CC2)c1O ZINC000164278521 853811334 /nfs/dbraw/zinc/81/13/34/853811334.db2.gz HUIDUFVPQLLZLN-UHFFFAOYSA-N 1 0 396.487 3.882 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000520132258 853866613 /nfs/dbraw/zinc/86/66/13/853866613.db2.gz XZNJIFCCUBMFBD-ROUUACIJSA-N 1 0 388.512 3.660 20 30 GHEDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000151393976 853931626 /nfs/dbraw/zinc/93/16/26/853931626.db2.gz YCBZFBXBUTYOJZ-CYBMUJFWSA-N 1 0 377.366 3.964 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000520338841 854095964 /nfs/dbraw/zinc/09/59/64/854095964.db2.gz XRXRNCHAQFEJKH-RTBURBONSA-N 1 0 385.552 3.980 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCC1 ZINC000164698915 854216507 /nfs/dbraw/zinc/21/65/07/854216507.db2.gz YYGWUHUNEMWORW-UHFFFAOYSA-N 1 0 375.538 3.718 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164702362 854225485 /nfs/dbraw/zinc/22/54/85/854225485.db2.gz XDRKWEQNNLPUGB-UYAOXDASSA-N 1 0 397.592 3.949 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc2c(c1)CCCC2 ZINC000186960319 862554939 /nfs/dbraw/zinc/55/49/39/862554939.db2.gz LBWYSCDWTXQFRV-UHFFFAOYSA-O 1 0 384.525 3.562 20 30 GHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)oc21 ZINC000572324313 854465680 /nfs/dbraw/zinc/46/56/80/854465680.db2.gz RCCLIWXAYGCPFZ-APWZRJJASA-N 1 0 394.471 3.988 20 30 GHEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000328605347 854480600 /nfs/dbraw/zinc/48/06/00/854480600.db2.gz JMYFWWGNHUVGCH-QLFBSQMISA-N 1 0 386.462 3.869 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000609519281 854490851 /nfs/dbraw/zinc/49/08/51/854490851.db2.gz QSXMSZKKVAEMFV-UHFFFAOYSA-N 1 0 375.472 3.925 20 30 GHEDRO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328601023 854501061 /nfs/dbraw/zinc/50/10/61/854501061.db2.gz DTXAJVFPFNVIRD-MSOLQXFVSA-N 1 0 388.560 3.537 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 ZINC000328789361 854557660 /nfs/dbraw/zinc/55/76/60/854557660.db2.gz KSMCKSQPBRGIGZ-HIUFNZKISA-N 1 0 394.519 3.592 20 30 GHEDRO CC1(C)CC(NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)CC(C)(C)[NH2+]1 ZINC000328789420 854558223 /nfs/dbraw/zinc/55/82/23/854558223.db2.gz PXFPJXPOYXUTTR-KRWDZBQOSA-N 1 0 383.540 3.724 20 30 GHEDRO O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000328801347 854562851 /nfs/dbraw/zinc/56/28/51/854562851.db2.gz ZEAJPHFSVAQXGE-UXHICEINSA-N 1 0 387.499 3.680 20 30 GHEDRO CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)C1 ZINC000328830796 854564708 /nfs/dbraw/zinc/56/47/08/854564708.db2.gz URBUQVZCKSNIFU-QGZVFWFLSA-N 1 0 393.491 3.978 20 30 GHEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000328889388 854599047 /nfs/dbraw/zinc/59/90/47/854599047.db2.gz QLZJNAKWVKVLQU-OJAHFUOMSA-N 1 0 386.540 3.813 20 30 GHEDRO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000328947248 854612527 /nfs/dbraw/zinc/61/25/27/854612527.db2.gz GTGVDBXLERBOAT-VZHLBOQGSA-N 1 0 378.538 3.637 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000328906315 854617411 /nfs/dbraw/zinc/61/74/11/854617411.db2.gz BJIFKVLIONFCKP-LJQANCHMSA-N 1 0 387.549 3.728 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(/C([O-])=[NH+]/Cc2cn3ccsc3n2)CC1 ZINC000330119106 862587743 /nfs/dbraw/zinc/58/77/43/862587743.db2.gz ZIWMWNMRUMGPNE-INIZCTEOSA-N 1 0 389.569 3.786 20 30 GHEDRO COc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)cc(Br)c1OC ZINC000330511380 854679231 /nfs/dbraw/zinc/67/92/31/854679231.db2.gz ROBVJTZHBFBEKD-UHFFFAOYSA-N 1 0 385.302 3.503 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CCCCC3)CC2)nc1-c1ccccn1 ZINC000165224505 854782328 /nfs/dbraw/zinc/78/23/28/854782328.db2.gz PMTZAMIQNCXISU-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO COc1cc(C)c(Br)cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000330916781 854785626 /nfs/dbraw/zinc/78/56/26/854785626.db2.gz LHTCDYDKSIOAFR-GFCCVEGCSA-N 1 0 382.302 3.742 20 30 GHEDRO CC(C)c1cc(Br)ccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000331148714 854815652 /nfs/dbraw/zinc/81/56/52/854815652.db2.gz BDYSROTZNQTIQI-KGLIPLIRSA-N 1 0 398.345 3.505 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)C[C@H]1C ZINC000331178638 854822550 /nfs/dbraw/zinc/82/25/50/854822550.db2.gz WLCYSYUVIANCTD-IEBWSBKVSA-N 1 0 388.556 3.826 20 30 GHEDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000589350658 854822853 /nfs/dbraw/zinc/82/28/53/854822853.db2.gz YGRIEKDEQAKXHA-NFBKMPQASA-N 1 0 380.488 3.536 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1cccc(C#N)c1 ZINC000572671509 854927567 /nfs/dbraw/zinc/92/75/67/854927567.db2.gz HPCXFOPQKGYILU-IBGZPJMESA-N 1 0 390.531 3.975 20 30 GHEDRO C[C@]1(CNC(=O)c2cc3ccccc3n2CC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000614556827 854980239 /nfs/dbraw/zinc/98/02/39/854980239.db2.gz ZBYRUHMUTVGFPX-XMMPIXPASA-N 1 0 386.499 3.949 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000330165199 862627412 /nfs/dbraw/zinc/62/74/12/862627412.db2.gz WSBVQGJQQDTFGR-FQEVSTJZSA-N 1 0 381.524 3.723 20 30 GHEDRO C=CC[C@H]1N(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC(=C)C)CCCC1(C)C ZINC000669335194 855023549 /nfs/dbraw/zinc/02/35/49/855023549.db2.gz KAVSDFHJIMOTKT-HSALFYBXSA-N 1 0 399.583 3.961 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000589706104 855114811 /nfs/dbraw/zinc/11/48/11/855114811.db2.gz SLSGLNQVBRRZGH-PZJWPPBQSA-N 1 0 395.499 3.763 20 30 GHEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000542673258 855186163 /nfs/dbraw/zinc/18/61/63/855186163.db2.gz DITJLZKPBYCLIX-HOTGVXAUSA-N 1 0 396.466 3.833 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)CC2)nc1 ZINC000589945470 855216219 /nfs/dbraw/zinc/21/62/19/855216219.db2.gz GVZDJYYIWNKJKF-JTSKRJEESA-N 1 0 394.494 3.819 20 30 GHEDRO CC(C)[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[NH+]1CCC(C)CC1 ZINC000466600254 862658891 /nfs/dbraw/zinc/65/88/91/862658891.db2.gz WYJSUGGDKMPLDJ-GOSISDBHSA-N 1 0 387.528 3.642 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000153605709 855287062 /nfs/dbraw/zinc/28/70/62/855287062.db2.gz IGFBKAYQURKYNZ-UHFFFAOYSA-N 1 0 391.515 3.805 20 30 GHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590188502 855313767 /nfs/dbraw/zinc/31/37/67/855313767.db2.gz AXWLQJIISWHZAR-UHFFFAOYSA-N 1 0 379.426 3.822 20 30 GHEDRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@@H]1CCCN1C1CC1 ZINC000330214546 862666687 /nfs/dbraw/zinc/66/66/87/862666687.db2.gz GFHMHGBKIPSLTF-ZBFHGGJFSA-N 1 0 382.291 3.682 20 30 GHEDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867325 855366150 /nfs/dbraw/zinc/36/61/50/855366150.db2.gz NLHSRQBPVOKPQQ-SFHVURJKSA-N 1 0 378.394 3.643 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)cc1 ZINC000131589550 855371263 /nfs/dbraw/zinc/37/12/63/855371263.db2.gz QBYIMXCBJFKWEV-UHFFFAOYSA-N 1 0 394.515 3.583 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909437624 855519382 /nfs/dbraw/zinc/51/93/82/855519382.db2.gz CCOWXTGZPXYALZ-UHFFFAOYSA-N 1 0 381.442 3.593 20 30 GHEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000330245946 862691631 /nfs/dbraw/zinc/69/16/31/862691631.db2.gz KZNQONQSMLCSGT-UZLBHIALSA-N 1 0 379.508 3.600 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1C#N ZINC000590756117 855564741 /nfs/dbraw/zinc/56/47/41/855564741.db2.gz GMXWWHUYXKJPLF-WMQCIHAUSA-N 1 0 398.551 3.823 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000590804465 855596440 /nfs/dbraw/zinc/59/64/40/855596440.db2.gz QLGVUYJWRIVGPF-SEJPIABJSA-N 1 0 392.478 3.692 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nc(-c4ccccc4)ns3)CC2)cc1 ZINC000301125997 855623386 /nfs/dbraw/zinc/62/33/86/855623386.db2.gz OIDFLNJTZRZXTG-UHFFFAOYSA-N 1 0 375.501 3.789 20 30 GHEDRO Cc1nnc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(C#N)c1C ZINC000301289389 855654584 /nfs/dbraw/zinc/65/45/84/855654584.db2.gz POPZBWLPIDMXDC-INIZCTEOSA-N 1 0 375.398 3.670 20 30 GHEDRO COc1cccc([C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+](C)C)c1 ZINC000301367050 855680106 /nfs/dbraw/zinc/68/01/06/855680106.db2.gz SSKAGPFCWUMEMU-FQEVSTJZSA-N 1 0 391.431 3.738 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2cc(C#N)ccc2F)c2ccccc2)CC1 ZINC000465722234 855697304 /nfs/dbraw/zinc/69/73/04/855697304.db2.gz LBDUFKXGUXYDKD-JOCHJYFZSA-N 1 0 394.494 3.970 20 30 GHEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000573047472 855702911 /nfs/dbraw/zinc/70/29/11/855702911.db2.gz MITYUIKQKUZCHM-ICSRJNTNSA-N 1 0 395.551 3.894 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000056936371 855727319 /nfs/dbraw/zinc/72/73/19/855727319.db2.gz NVOLDSIUAMOZRU-OAQYLSRUSA-N 1 0 382.483 3.922 20 30 GHEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000591036262 855731214 /nfs/dbraw/zinc/73/12/14/855731214.db2.gz FEKLUOXXYLQZCW-CTNGQTDRSA-N 1 0 382.895 3.575 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301843637 855768485 /nfs/dbraw/zinc/76/84/85/855768485.db2.gz KZTYHDHVJIJBJW-IBGZPJMESA-N 1 0 382.483 3.635 20 30 GHEDRO C[NH+](C)Cc1ccc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000301851643 855771515 /nfs/dbraw/zinc/77/15/15/855771515.db2.gz BJCPJJBJYPCGKQ-UHFFFAOYSA-N 1 0 379.395 3.827 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000237206403 855841773 /nfs/dbraw/zinc/84/17/73/855841773.db2.gz QTZLMGGPNZVPGW-UHFFFAOYSA-N 1 0 399.498 3.974 20 30 GHEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000302463957 855869163 /nfs/dbraw/zinc/86/91/63/855869163.db2.gz SBUVCDJMZZJLIM-HXUWFJFHSA-N 1 0 389.421 3.650 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)c1 ZINC000591276827 855879344 /nfs/dbraw/zinc/87/93/44/855879344.db2.gz AVDDOQRVLGDHGE-GOSISDBHSA-N 1 0 391.475 3.599 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1OC ZINC000057964553 855879962 /nfs/dbraw/zinc/87/99/62/855879962.db2.gz YFBLFCFVHGDENV-UHFFFAOYSA-N 1 0 381.520 3.799 20 30 GHEDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000591277465 855880227 /nfs/dbraw/zinc/88/02/27/855880227.db2.gz NYEOVHPMIZNFSB-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591284880 855883947 /nfs/dbraw/zinc/88/39/47/855883947.db2.gz KIYYGOCWVIYGLG-BGYRXZFFSA-N 1 0 390.487 3.804 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000302798441 855936126 /nfs/dbraw/zinc/93/61/26/855936126.db2.gz RLMBWERDLZLBPS-KRWDZBQOSA-N 1 0 390.409 3.675 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCCC[C@@H]3CO)ncn2)cc1 ZINC000302823135 855945183 /nfs/dbraw/zinc/94/51/83/855945183.db2.gz FNBDHSJKRPADHN-OAQYLSRUSA-N 1 0 399.498 3.979 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+]2CCCC2)o1 ZINC000171170619 856005327 /nfs/dbraw/zinc/00/53/27/856005327.db2.gz LUBSIJOFTHCEIB-KRWDZBQOSA-N 1 0 383.496 3.975 20 30 GHEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508898716 856074296 /nfs/dbraw/zinc/07/42/96/856074296.db2.gz MFTXJQUOYQHMPJ-VGSWGCGISA-N 1 0 376.504 3.924 20 30 GHEDRO C=CCCOCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605103219 862759235 /nfs/dbraw/zinc/75/92/35/862759235.db2.gz LYCQDEXZFFARLL-APWZRJJASA-N 1 0 384.442 3.797 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000482164146 862763897 /nfs/dbraw/zinc/76/38/97/862763897.db2.gz OHVSPDAEFCIWGQ-ONTIZHBOSA-N 1 0 384.568 3.812 20 30 GHEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000181135774 862766752 /nfs/dbraw/zinc/76/67/52/862766752.db2.gz NOZGCNZUTWFYBL-GMAHTHKFSA-N 1 0 397.494 3.762 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2OCC)CC1 ZINC000171640670 856212847 /nfs/dbraw/zinc/21/28/47/856212847.db2.gz RCTMDARWDCXZOW-UHFFFAOYSA-N 1 0 382.302 3.620 20 30 GHEDRO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000591763941 856231352 /nfs/dbraw/zinc/23/13/52/856231352.db2.gz RYAPLKYZJNLKFY-MPTWLCKMSA-N 1 0 378.472 3.617 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000171714670 856241297 /nfs/dbraw/zinc/24/12/97/856241297.db2.gz LLHCANHWMWWBAP-UHFFFAOYSA-N 1 0 381.954 3.834 20 30 GHEDRO C#CC[N@@H+](CCCc1cnn(C)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195196 862773926 /nfs/dbraw/zinc/77/39/26/862773926.db2.gz GWHUBJKKDSBQKO-SFHVURJKSA-N 1 0 388.309 3.574 20 30 GHEDRO COc1ccc2ncc(C#N)c(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000591894578 856409238 /nfs/dbraw/zinc/40/92/38/856409238.db2.gz QAWCWZIGFCNIIJ-UHFFFAOYSA-N 1 0 397.482 3.699 20 30 GHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000110019754 856419134 /nfs/dbraw/zinc/41/91/34/856419134.db2.gz NOFIWHBPQFPDGR-UHFFFAOYSA-N 1 0 381.545 3.948 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000181213761 862800526 /nfs/dbraw/zinc/80/05/26/862800526.db2.gz GLPHQWLWRDATPZ-XLIONFOSSA-N 1 0 382.470 3.784 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000046104932 856490532 /nfs/dbraw/zinc/49/05/32/856490532.db2.gz UNVQAJBDLVKCMF-GOSISDBHSA-N 1 0 394.519 3.839 20 30 GHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1OC)CC(=O)Nc1ccccc1C ZINC000172647196 856513690 /nfs/dbraw/zinc/51/36/90/856513690.db2.gz VWSYXKCKNCIQLH-UHFFFAOYSA-N 1 0 381.476 3.605 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)CC1 ZINC000592068446 856650734 /nfs/dbraw/zinc/65/07/34/856650734.db2.gz JUBRBIBZPMHEGN-UHFFFAOYSA-N 1 0 394.475 3.986 20 30 GHEDRO COc1ccccc1C1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000592143134 856695033 /nfs/dbraw/zinc/69/50/33/856695033.db2.gz RGYWMYTWAIMXHM-UHFFFAOYSA-N 1 0 381.501 3.725 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177031 856761336 /nfs/dbraw/zinc/76/13/36/856761336.db2.gz GKVDNTBQBUACGW-NRFANRHFSA-N 1 0 395.890 3.810 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCN(c2cccs2)CC1)C(C)C ZINC000674859996 856867527 /nfs/dbraw/zinc/86/75/27/856867527.db2.gz WVXTWXULOOIWPA-LJQANCHMSA-N 1 0 390.597 3.715 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC(=O)N(c3cccc(OC)c3)C2)ccc1OC ZINC000508063243 856870520 /nfs/dbraw/zinc/87/05/20/856870520.db2.gz KBXLRJZDYRJFRT-SFHVURJKSA-N 1 0 396.487 3.554 20 30 GHEDRO C=CCOCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000658209756 857043310 /nfs/dbraw/zinc/04/33/10/857043310.db2.gz KBPQOBBPBAHDHX-FQEVSTJZSA-N 1 0 395.471 3.640 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000063753462 857050334 /nfs/dbraw/zinc/05/03/34/857050334.db2.gz WIYUFOAWTUWJPQ-UHFFFAOYSA-N 1 0 391.515 3.833 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000733326870 862867411 /nfs/dbraw/zinc/86/74/11/862867411.db2.gz HRJVJUPAOKHNFF-GOSISDBHSA-N 1 0 385.305 3.830 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000733327750 862870283 /nfs/dbraw/zinc/87/02/83/862870283.db2.gz VWVYXWBQWPDWQI-IBGZPJMESA-N 1 0 391.515 3.806 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(N3CCC(CC[NH+]4CCOCC4)CC3)nc21 ZINC000428093350 857110466 /nfs/dbraw/zinc/11/04/66/857110466.db2.gz RZWPXQZKAQLQNE-UHFFFAOYSA-N 1 0 382.552 3.506 20 30 GHEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000508254955 857125560 /nfs/dbraw/zinc/12/55/60/857125560.db2.gz ZMINOODDWRZHAF-KRWDZBQOSA-N 1 0 394.475 3.822 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000112544631 857148708 /nfs/dbraw/zinc/14/87/08/857148708.db2.gz MRHRUWULPCOJDM-QGZVFWFLSA-N 1 0 378.476 3.626 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000173793576 857152917 /nfs/dbraw/zinc/15/29/17/857152917.db2.gz BNTZIUUCRXHAFH-FQEVSTJZSA-N 1 0 391.515 3.941 20 30 GHEDRO CC(=O)N1CCC[C@H](C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)C1 ZINC000281182955 862882003 /nfs/dbraw/zinc/88/20/03/862882003.db2.gz QSQCTKGOESLXRB-OAQYLSRUSA-N 1 0 378.520 3.620 20 30 GHEDRO C=CCn1c(-c2cn[nH]c2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000624850083 857200701 /nfs/dbraw/zinc/20/07/01/857200701.db2.gz USCDMFFHFOPMCK-FXAWDEMLSA-N 1 0 391.523 3.516 20 30 GHEDRO CCC1(Nc2cc(Br)cc(C#N)c2NC(=O)OC(C)(C)C)C[NH2+]C1 ZINC001168582273 857225726 /nfs/dbraw/zinc/22/57/26/857225726.db2.gz LZJCIXGIRGBVGT-UHFFFAOYSA-N 1 0 395.301 3.832 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000174493004 857326037 /nfs/dbraw/zinc/32/60/37/857326037.db2.gz JDTJIIXXXYPJLI-IBGZPJMESA-N 1 0 377.488 3.551 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000134239510 862906397 /nfs/dbraw/zinc/90/63/97/862906397.db2.gz LRJXJUYMODMMDA-UHFFFAOYSA-N 1 0 385.870 3.628 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000113367765 857445472 /nfs/dbraw/zinc/44/54/72/857445472.db2.gz HSZYCTOOCBRULW-KRWDZBQOSA-N 1 0 378.476 3.580 20 30 GHEDRO CCCc1nc(C)c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000043007721 857472360 /nfs/dbraw/zinc/47/23/60/857472360.db2.gz AAICLLZUCWEHJB-UHFFFAOYSA-N 1 0 382.533 3.624 20 30 GHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593386508 857563823 /nfs/dbraw/zinc/56/38/23/857563823.db2.gz SEIHCJZJVHPSAH-CRAIPNDOSA-N 1 0 392.906 3.855 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593386509 857563918 /nfs/dbraw/zinc/56/39/18/857563918.db2.gz SEIHCJZJVHPSAH-MAUKXSAKSA-N 1 0 392.906 3.855 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCC1(C#N)CCCC1)c1cccc(C(F)(F)F)c1 ZINC000593391697 857565761 /nfs/dbraw/zinc/56/57/61/857565761.db2.gz DJKJZBHKYXEFSS-INIZCTEOSA-N 1 0 382.430 3.691 20 30 GHEDRO C=C(CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC)c1ccccc1 ZINC000672686740 857597707 /nfs/dbraw/zinc/59/77/07/857597707.db2.gz AQVASJHMLNKJJS-UHFFFAOYSA-N 1 0 394.519 3.672 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593527937 857603852 /nfs/dbraw/zinc/60/38/52/857603852.db2.gz GJDGJUPINKIWHT-UHFFFAOYSA-N 1 0 399.560 3.806 20 30 GHEDRO C=C(C)[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)c1ccc(F)c(F)c1 ZINC000907462103 857654106 /nfs/dbraw/zinc/65/41/06/857654106.db2.gz YMOISRQLZWAMKR-NRFANRHFSA-N 1 0 379.495 3.504 20 30 GHEDRO C=CCOc1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1OC ZINC000593688469 857674452 /nfs/dbraw/zinc/67/44/52/857674452.db2.gz SLLBXMCZPLTKID-UHFFFAOYSA-N 1 0 391.515 3.886 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000574312216 857693315 /nfs/dbraw/zinc/69/33/15/857693315.db2.gz KLWMRKODNJSPIJ-HXUWFJFHSA-N 1 0 384.476 3.697 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1 ZINC000521173253 857703211 /nfs/dbraw/zinc/70/32/11/857703211.db2.gz XJZOGJQXKSKFJA-UHFFFAOYSA-N 1 0 377.488 3.828 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCCC1 ZINC000058891011 857725812 /nfs/dbraw/zinc/72/58/12/857725812.db2.gz MVTYOMXFURTJFF-HXUWFJFHSA-N 1 0 395.503 3.971 20 30 GHEDRO COc1cc(F)c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000574403302 857785653 /nfs/dbraw/zinc/78/56/53/857785653.db2.gz AGCNLQMCSUBGCY-INIZCTEOSA-N 1 0 387.430 3.612 20 30 GHEDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113939140 857795492 /nfs/dbraw/zinc/79/54/92/857795492.db2.gz XRMINOKFMRAFLZ-MRXNPFEDSA-N 1 0 389.565 3.966 20 30 GHEDRO N#Cc1ccc(SCC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000486583151 857881741 /nfs/dbraw/zinc/88/17/41/857881741.db2.gz ZQDHXRZWAZCNTP-UHFFFAOYSA-N 1 0 393.556 3.817 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000922113214 857897948 /nfs/dbraw/zinc/89/79/48/857897948.db2.gz UPSNMRUPECPAFA-QGZVFWFLSA-N 1 0 399.292 3.717 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)cc1 ZINC000521348394 857909209 /nfs/dbraw/zinc/90/92/09/857909209.db2.gz LKEMTMBFWKKIEA-IAGOWNOFSA-N 1 0 388.870 3.798 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000908080943 857921502 /nfs/dbraw/zinc/92/15/02/857921502.db2.gz CXNNGGPCNSGBBX-GOSISDBHSA-N 1 0 384.442 3.797 20 30 GHEDRO Cc1nc(SCC(=O)N(CC(C)C)C2CC[NH+](C)CC2)c(C#N)c(C)c1C ZINC000114383621 858006104 /nfs/dbraw/zinc/00/61/04/858006104.db2.gz RJGWGCSAWJMKPP-UHFFFAOYSA-N 1 0 388.581 3.549 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1C#N ZINC000521499430 858049811 /nfs/dbraw/zinc/04/98/11/858049811.db2.gz RUKBBVVWANIPLH-FQEVSTJZSA-N 1 0 394.544 3.894 20 30 GHEDRO Cc1sc(CNC(=O)[C@@H]([NH3+])CCCCC#N)nc1-c1ccc(Cl)cc1 ZINC000594428547 858174111 /nfs/dbraw/zinc/17/41/11/858174111.db2.gz MWHZZFLVASWZNE-HNNXBMFYSA-N 1 0 376.913 3.799 20 30 GHEDRO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1Cl ZINC000594429543 858174346 /nfs/dbraw/zinc/17/43/46/858174346.db2.gz UBJSZEHEUZJWST-INIZCTEOSA-N 1 0 378.904 3.608 20 30 GHEDRO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000594437294 858177567 /nfs/dbraw/zinc/17/75/67/858177567.db2.gz LFIYUMKLZBPJKB-HRAATJIYSA-N 1 0 383.467 3.993 20 30 GHEDRO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000594434575 858177578 /nfs/dbraw/zinc/17/75/78/858177578.db2.gz PIYIJVNKYYAZTD-HUUCEWRRSA-N 1 0 396.354 3.856 20 30 GHEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000594447914 858178732 /nfs/dbraw/zinc/17/87/32/858178732.db2.gz XNFDUVSTELPEEB-QGZVFWFLSA-N 1 0 392.341 3.788 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000594445464 858179117 /nfs/dbraw/zinc/17/91/17/858179117.db2.gz GHPXYCAEWHUVSJ-PBHICJAKSA-N 1 0 384.307 3.774 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000594456525 858181475 /nfs/dbraw/zinc/18/14/75/858181475.db2.gz PPSBHTWECFPAEZ-ZWKOTPCHSA-N 1 0 399.470 3.731 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H](C)C1 ZINC000592765985 858201939 /nfs/dbraw/zinc/20/19/39/858201939.db2.gz HQNHJATVGISWSX-DYVFJYSZSA-N 1 0 398.334 3.732 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594516515 858206841 /nfs/dbraw/zinc/20/68/41/858206841.db2.gz RXJWDVVIYKZCPV-INIZCTEOSA-N 1 0 393.487 3.962 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000594525752 858210694 /nfs/dbraw/zinc/21/06/94/858210694.db2.gz ZALMYKYMQJISGF-QFIPXVFZSA-N 1 0 375.516 3.811 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000466097516 858214303 /nfs/dbraw/zinc/21/43/03/858214303.db2.gz HHHORDLPHOAZJD-FGZHOGPDSA-N 1 0 380.536 3.744 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000078883396 858287538 /nfs/dbraw/zinc/28/75/38/858287538.db2.gz HMLCUYCXSJSWOI-FQEVSTJZSA-N 1 0 390.531 3.667 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000594936196 858340133 /nfs/dbraw/zinc/34/01/33/858340133.db2.gz VKKPSVIJBPULEG-CTNGQTDRSA-N 1 0 379.891 3.957 20 30 GHEDRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c(OC)c1 ZINC000594960960 858346563 /nfs/dbraw/zinc/34/65/63/858346563.db2.gz VBYWHBPAXVEYPT-INIZCTEOSA-N 1 0 380.488 3.988 20 30 GHEDRO CCN1CC[NH+](C[C@H](C)CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000439109933 858385172 /nfs/dbraw/zinc/38/51/72/858385172.db2.gz SEMFYAAYVFSGIJ-CYBMUJFWSA-N 1 0 399.764 3.660 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OCc4ccncc4)cc3)CC2)nc1 ZINC000067010997 858394922 /nfs/dbraw/zinc/39/49/22/858394922.db2.gz MRFHQOMWTCOHCN-UHFFFAOYSA-N 1 0 399.498 3.686 20 30 GHEDRO COc1ccc([C@@H]2[C@H](COC(=O)Cc3ccccc3CC#N)CC[N@@H+]2C)cc1 ZINC000761103759 858441845 /nfs/dbraw/zinc/44/18/45/858441845.db2.gz AAROHMKMYOAKIF-NZQKXSOJSA-N 1 0 378.472 3.540 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Cl ZINC000595227639 858445790 /nfs/dbraw/zinc/44/57/90/858445790.db2.gz HVTXAOVMLJSHQS-BHIYHBOVSA-N 1 0 386.858 3.898 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC000574973009 858479411 /nfs/dbraw/zinc/47/94/11/858479411.db2.gz ZEZYLIQJYPUUEZ-JOCHJYFZSA-N 1 0 376.460 3.958 20 30 GHEDRO CN(C(=O)CN1CCC[C@@H](CC#N)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000595617323 858619013 /nfs/dbraw/zinc/61/90/13/858619013.db2.gz YKHOJAKNBSLOEI-MBSDFSHPSA-N 1 0 379.479 3.999 20 30 GHEDRO COc1cc(C[NH+]2CCC([C@H](C)CO)CC2)ccc1OCc1cccc(C#N)c1 ZINC000593083463 858620829 /nfs/dbraw/zinc/62/08/29/858620829.db2.gz NSPJLBVHCZKJKQ-GOSISDBHSA-N 1 0 394.515 3.986 20 30 GHEDRO C[C@H]1c2ccccc2C[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595651530 858638257 /nfs/dbraw/zinc/63/82/57/858638257.db2.gz CBPMGTVSCFNWEG-GAJHUEQPSA-N 1 0 388.515 3.550 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CCO ZINC000595696317 858650633 /nfs/dbraw/zinc/65/06/33/858650633.db2.gz KCAPMOOVRIAKSH-CRAIPNDOSA-N 1 0 389.565 3.700 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC([C@H]3CCCCO3)CC1)CCC2 ZINC000595785407 858686838 /nfs/dbraw/zinc/68/68/38/858686838.db2.gz FHJOILQERLSRON-GOSISDBHSA-N 1 0 387.549 3.718 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595790921 858689840 /nfs/dbraw/zinc/68/98/40/858689840.db2.gz ZNWQRNRDHIJKIH-KQCCSTQCSA-N 1 0 375.557 3.587 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CC2=CCSC2)c1C#N ZINC000595895280 858709459 /nfs/dbraw/zinc/70/94/59/858709459.db2.gz HMFNARIQRUDTAX-UHFFFAOYSA-N 1 0 398.532 3.552 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595873345 858721758 /nfs/dbraw/zinc/72/17/58/858721758.db2.gz LYOXQZRYKUDXEU-QFIPXVFZSA-N 1 0 376.504 3.754 20 30 GHEDRO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1F ZINC000593146769 858786124 /nfs/dbraw/zinc/78/61/24/858786124.db2.gz PAOPGUNIEOCEML-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(CC#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000183762691 858814165 /nfs/dbraw/zinc/81/41/65/858814165.db2.gz BMIZZVPZTCMLDP-FCHUYYIVSA-N 1 0 390.487 3.861 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328785377 858820647 /nfs/dbraw/zinc/82/06/47/858820647.db2.gz KMHJJTYKWQTOQA-MCPWVCTESA-N 1 0 387.307 3.832 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000183981876 858852839 /nfs/dbraw/zinc/85/28/39/858852839.db2.gz PNKJYKNBOJZZOE-UHFFFAOYSA-N 1 0 390.491 3.725 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2)CC1 ZINC000556991500 881355604 /nfs/dbraw/zinc/35/56/04/881355604.db2.gz PXYNBPCQIPEMBY-UHFFFAOYSA-N 1 0 392.478 3.510 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596451672 858913836 /nfs/dbraw/zinc/91/38/36/858913836.db2.gz BUUGWUIGQWORPY-UHFFFAOYSA-N 1 0 391.519 3.675 20 30 GHEDRO N#Cc1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c([N+](=O)[O-])c1 ZINC000596524469 858922915 /nfs/dbraw/zinc/92/29/15/858922915.db2.gz BDKHYSSKXUHNPS-SFHVURJKSA-N 1 0 377.448 3.576 20 30 GHEDRO CC[C@H](C)n1ncc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593190571 858947683 /nfs/dbraw/zinc/94/76/83/858947683.db2.gz LMFBNAPFRYLTEJ-INIZCTEOSA-N 1 0 394.523 3.820 20 30 GHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000184542884 858956810 /nfs/dbraw/zinc/95/68/10/858956810.db2.gz SQEZKCPMMXFXAR-SPLOXXLWSA-N 1 0 382.533 3.886 20 30 GHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000609306377 881364904 /nfs/dbraw/zinc/36/49/04/881364904.db2.gz ILKXTYQGTLUKRR-SJORKVTESA-N 1 0 379.435 3.846 20 30 GHEDRO N#Cc1ccc2c(c1)N(C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000550520898 858967847 /nfs/dbraw/zinc/96/78/47/858967847.db2.gz TZZZKWBDUNTQJI-OAQYLSRUSA-N 1 0 399.416 3.902 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000596671952 858985121 /nfs/dbraw/zinc/98/51/21/858985121.db2.gz HUXZBTCQTSISQG-CVDCTZTESA-N 1 0 390.531 3.795 20 30 GHEDRO CC(C)(CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C[NH+]1CCCC1 ZINC000482942953 858997628 /nfs/dbraw/zinc/99/76/28/858997628.db2.gz CJZQKILTBKPKIJ-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160566499 859016308 /nfs/dbraw/zinc/01/63/08/859016308.db2.gz KADGQKWSRAJJFO-OAQYLSRUSA-N 1 0 380.492 3.930 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC[C@H]1C(F)(F)F ZINC000625857406 859031165 /nfs/dbraw/zinc/03/11/65/859031165.db2.gz LJUSRXRUYMWBNR-PSASIEDQSA-N 1 0 387.299 3.836 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000923186689 859108216 /nfs/dbraw/zinc/10/82/16/859108216.db2.gz IUROAZJSPYZJCS-JOCHJYFZSA-N 1 0 389.499 3.502 20 30 GHEDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000596911537 859165699 /nfs/dbraw/zinc/16/56/99/859165699.db2.gz YKBXEKPYHYJZEG-UHFFFAOYSA-N 1 0 381.480 3.987 20 30 GHEDRO C=CCC1([NH2+]CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCCCC1 ZINC000625937482 859189526 /nfs/dbraw/zinc/18/95/26/859189526.db2.gz BGPVORCOPULTJC-UHFFFAOYSA-N 1 0 383.536 3.732 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)CC3(C#N)CCCCC3)CC2)cc1 ZINC000596973049 859203857 /nfs/dbraw/zinc/20/38/57/859203857.db2.gz DMZBNWHPEJAYAJ-UHFFFAOYSA-N 1 0 383.536 3.888 20 30 GHEDRO C=CCOCCC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483232462 859243753 /nfs/dbraw/zinc/24/37/53/859243753.db2.gz JWKASKGKZUVPHK-AWEZNQCLSA-N 1 0 382.220 3.684 20 30 GHEDRO C=CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483273536 859262219 /nfs/dbraw/zinc/26/22/19/859262219.db2.gz UWCLVBZJHWANML-GOSISDBHSA-N 1 0 391.523 3.651 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1=S ZINC000840182742 859380556 /nfs/dbraw/zinc/38/05/56/859380556.db2.gz ROBWSQPFXSCSHO-KRWDZBQOSA-N 1 0 383.565 3.641 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113934440 859407255 /nfs/dbraw/zinc/40/72/55/859407255.db2.gz HZXDRGNRRGGUPO-FSSWDIPSSA-N 1 0 396.579 3.908 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](CF)c3ccc(F)cc3)CC2)cc1 ZINC000601650227 859408044 /nfs/dbraw/zinc/40/80/44/859408044.db2.gz DFCWCWAIKVYGSW-OAQYLSRUSA-N 1 0 398.457 3.625 20 30 GHEDRO Cn1cc(C#N)cc1C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000081791960 859474442 /nfs/dbraw/zinc/47/44/42/859474442.db2.gz ZQMAVQDOQGEXQL-UHFFFAOYSA-N 1 0 376.504 3.558 20 30 GHEDRO CCc1nc([C@@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000593341728 859494912 /nfs/dbraw/zinc/49/49/12/859494912.db2.gz VFDVDPKXKSCMRR-OAHLLOKOSA-N 1 0 397.548 3.602 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000764575460 859512999 /nfs/dbraw/zinc/51/29/99/859512999.db2.gz UFYBSZDMNOTABP-WZONZLPQSA-N 1 0 382.479 3.562 20 30 GHEDRO COc1cccc([C@@H](C)CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593352846 859537281 /nfs/dbraw/zinc/53/72/81/859537281.db2.gz FSCAEBXETBURSG-SFHVURJKSA-N 1 0 391.515 3.841 20 30 GHEDRO CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221431 859544428 /nfs/dbraw/zinc/54/44/28/859544428.db2.gz MTPIODWWFKMFSW-UHFFFAOYSA-N 1 0 389.503 3.536 20 30 GHEDRO COc1ccc(OC)c(C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC000474180044 859547860 /nfs/dbraw/zinc/54/78/60/859547860.db2.gz VPWKPXYNMWXVPV-IBGZPJMESA-N 1 0 398.503 3.616 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4ccccc4c3O)CC2)c1 ZINC000593354375 859553231 /nfs/dbraw/zinc/55/32/31/859553231.db2.gz ZRCPAEKNILHSME-UHFFFAOYSA-N 1 0 385.467 3.811 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3ccc(-n4cccc4)cc3)CC2)c1 ZINC000593355886 859565032 /nfs/dbraw/zinc/56/50/32/859565032.db2.gz RKBHJGFPRFLNLP-UHFFFAOYSA-N 1 0 398.510 3.672 20 30 GHEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)CCO2 ZINC000466455539 859575726 /nfs/dbraw/zinc/57/57/26/859575726.db2.gz BYPXODODBMJELX-IBGZPJMESA-N 1 0 382.460 4.000 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000611036327 859584223 /nfs/dbraw/zinc/58/42/23/859584223.db2.gz LTOKNFBKTIHVDT-FQEVSTJZSA-N 1 0 399.535 3.605 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC000106266906 859595063 /nfs/dbraw/zinc/59/50/63/859595063.db2.gz HARYMHMPWNEHNK-UHFFFAOYSA-N 1 0 386.540 3.511 20 30 GHEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cn(C)c2ccccc12 ZINC000185163027 859596605 /nfs/dbraw/zinc/59/66/05/859596605.db2.gz ZLDZCRFIBGEIDI-SFHVURJKSA-N 1 0 388.515 3.744 20 30 GHEDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@H]1C ZINC000611095097 859607551 /nfs/dbraw/zinc/60/75/51/859607551.db2.gz SGODNLGMIBVRJT-MRXNPFEDSA-N 1 0 394.475 3.917 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000922329734 859616927 /nfs/dbraw/zinc/61/69/27/859616927.db2.gz LCFFPCPFFQTFQA-FHWLQOOXSA-N 1 0 376.541 3.717 20 30 GHEDRO Cc1cc(N2CC[C@H]([NH2+]Cc3cc(C#N)cs3)C2=O)ccc1Br ZINC000185188662 859672699 /nfs/dbraw/zinc/67/26/99/859672699.db2.gz WGCYWCDXVBOPIR-INIZCTEOSA-N 1 0 390.306 3.586 20 30 GHEDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000597658297 859706819 /nfs/dbraw/zinc/70/68/19/859706819.db2.gz UDPGCQXYURTTHB-FQEVSTJZSA-N 1 0 387.430 3.656 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@H]3CCC(F)(F)C3)CC2)c1 ZINC000895594272 859708128 /nfs/dbraw/zinc/70/81/28/859708128.db2.gz NBOOLFWQQLIABP-MRXNPFEDSA-N 1 0 390.478 3.647 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(C#N)cc1 ZINC000611381786 859729785 /nfs/dbraw/zinc/72/97/85/859729785.db2.gz UOXCJKKUIMXNEA-HNNXBMFYSA-N 1 0 377.444 3.889 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(C#N)c1 ZINC000611386311 859730966 /nfs/dbraw/zinc/73/09/66/859730966.db2.gz LOTUBWCSKHAVLN-LBPRGKRZSA-N 1 0 383.300 3.990 20 30 GHEDRO C[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)c1cccc(C#N)c1 ZINC000611387359 859732119 /nfs/dbraw/zinc/73/21/19/859732119.db2.gz MAUCVOMAZUQMGH-OAHLLOKOSA-N 1 0 377.469 3.571 20 30 GHEDRO C=CCn1c(=S)n(CN2CCC[N@@H+](C3CCCC3)CC2)nc1-c1ccccn1 ZINC000765009405 859735763 /nfs/dbraw/zinc/73/57/63/859735763.db2.gz GHLFOPHXSKBXFU-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000611395690 859736393 /nfs/dbraw/zinc/73/63/93/859736393.db2.gz PDFPCXGCOYDBQW-OAQYLSRUSA-N 1 0 385.471 3.813 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1 ZINC000611402536 859738749 /nfs/dbraw/zinc/73/87/49/859738749.db2.gz ZZXZKZCVFDLKQL-SFHVURJKSA-N 1 0 386.442 3.830 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000611391120 859742221 /nfs/dbraw/zinc/74/22/21/859742221.db2.gz UHRYCGSXMFZUAK-BJKOFHAPSA-N 1 0 375.516 3.907 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000765025006 859750795 /nfs/dbraw/zinc/75/07/95/859750795.db2.gz IZRWPMREQYXAFP-QFIPXVFZSA-N 1 0 385.508 3.660 20 30 GHEDRO N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)C2 ZINC000593406197 859755405 /nfs/dbraw/zinc/75/54/05/859755405.db2.gz DURBMUNCSGIIHY-FQEVSTJZSA-N 1 0 388.515 3.886 20 30 GHEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1c(C)nn(C)c1C ZINC000543454809 859768369 /nfs/dbraw/zinc/76/83/69/859768369.db2.gz JPENJPDMSJJJSL-QGZVFWFLSA-N 1 0 399.564 3.918 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C#N)c(F)c3)CCCC2)cc1OC ZINC000484069523 859785707 /nfs/dbraw/zinc/78/57/07/859785707.db2.gz LERMNANDBZCZIK-UHFFFAOYSA-N 1 0 397.450 3.756 20 30 GHEDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000611500696 859787193 /nfs/dbraw/zinc/78/71/93/859787193.db2.gz QXRJZIRCVMVTKY-CQSZACIVSA-N 1 0 379.298 3.876 20 30 GHEDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)c1ccc(C#N)cc1 ZINC000552097945 859801442 /nfs/dbraw/zinc/80/14/42/859801442.db2.gz SANIAOAEWVJITL-GOSISDBHSA-N 1 0 391.924 3.539 20 30 GHEDRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000895862262 860001040 /nfs/dbraw/zinc/00/10/40/860001040.db2.gz WYQABAPQXSKYGK-GOSISDBHSA-N 1 0 384.277 3.536 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1ccc(F)c(F)c1 ZINC000727241443 860008847 /nfs/dbraw/zinc/00/88/47/860008847.db2.gz NFFQQUKCRRDMBI-UHFFFAOYSA-N 1 0 391.462 3.635 20 30 GHEDRO CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598042585 860019302 /nfs/dbraw/zinc/01/93/02/860019302.db2.gz QDXGDOQVZPYQAA-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C[N@H+](Cc1ccc2nc(NC(=O)COc3ccccc3C#N)sc2c1)C1CC1 ZINC000598027336 860023813 /nfs/dbraw/zinc/02/38/13/860023813.db2.gz JOJWMPYSRPZVRJ-UHFFFAOYSA-N 1 0 392.484 3.780 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000602517495 860068864 /nfs/dbraw/zinc/06/88/64/860068864.db2.gz CMIMCDVQKFBZNA-QGZVFWFLSA-N 1 0 378.476 3.522 20 30 GHEDRO CCSCC[C@@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513137 860083424 /nfs/dbraw/zinc/08/34/24/860083424.db2.gz XONUFYULXYITRO-QGZVFWFLSA-N 1 0 388.581 3.696 20 30 GHEDRO Cc1ccc(-c2noc(C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)c(OC2CCCC2)c1 ZINC000904104003 860127242 /nfs/dbraw/zinc/12/72/42/860127242.db2.gz JXPFPYMXCFUKDB-BXFSZVDSSA-N 1 0 378.476 3.973 20 30 GHEDRO CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389395 881503609 /nfs/dbraw/zinc/50/36/09/881503609.db2.gz QPMQFZMSEHQHEI-RZMWZJFBSA-N 1 0 381.564 3.966 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000783530869 860140080 /nfs/dbraw/zinc/14/00/80/860140080.db2.gz DBIYADQCYLZPAT-ZDUSSCGKSA-N 1 0 380.491 3.575 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cnn4cc(Br)cnc34)CCC2)cc1 ZINC000602708361 860222968 /nfs/dbraw/zinc/22/29/68/860222968.db2.gz GEQDYHAXQJDWOQ-UHFFFAOYSA-N 1 0 382.265 3.532 20 30 GHEDRO CC(C)n1ncc2cc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cnc21 ZINC000154783698 860268788 /nfs/dbraw/zinc/26/87/88/860268788.db2.gz NPQNOZGPAPXSRB-UHFFFAOYSA-N 1 0 388.519 3.592 20 30 GHEDRO N#C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC12CCCC2 ZINC000598397001 860277907 /nfs/dbraw/zinc/27/79/07/860277907.db2.gz RIJDLGIDFSXNTD-YKSBVNFPSA-N 1 0 377.532 3.879 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(F)c1 ZINC000598395492 860278552 /nfs/dbraw/zinc/27/85/52/860278552.db2.gz CSEVDJQHLPKQJH-GOSISDBHSA-N 1 0 395.453 3.869 20 30 GHEDRO C[NH+](C)C1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000602806086 860290282 /nfs/dbraw/zinc/29/02/82/860290282.db2.gz SLTOXCAFYAYYCM-UHFFFAOYSA-N 1 0 378.476 3.547 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ccc(F)cn3)CC1)CCC2 ZINC000602905247 860357562 /nfs/dbraw/zinc/35/75/62/860357562.db2.gz QBWPYOZVCHKBHK-UHFFFAOYSA-N 1 0 398.507 3.851 20 30 GHEDRO COc1cc(C)nc(O[C@@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)n1 ZINC001170399001 881533267 /nfs/dbraw/zinc/53/32/67/881533267.db2.gz XMERXUNRHWPEAM-LRZVDXDASA-N 1 0 392.503 3.651 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)CSc1ccc(C#N)cc1)Cc1ccccc1 ZINC000484845736 860388237 /nfs/dbraw/zinc/38/82/37/860388237.db2.gz IOHGLRVOCOPTIO-FQEVSTJZSA-N 1 0 381.545 3.720 20 30 GHEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCC[N@H+](CC4CC4)C3)o2)cc1 ZINC000598562082 860397579 /nfs/dbraw/zinc/39/75/79/860397579.db2.gz SRUZNMDWPIVXQS-IBGZPJMESA-N 1 0 393.487 3.582 20 30 GHEDRO Cn1cc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c(-c2ccc(C#N)cc2)n1 ZINC000922678118 860466065 /nfs/dbraw/zinc/46/60/65/860466065.db2.gz CCCFHMNCBYJSKQ-SJORKVTESA-N 1 0 378.398 3.548 20 30 GHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000555337922 860480763 /nfs/dbraw/zinc/48/07/63/860480763.db2.gz XJGOSWIUYVKINA-IRXDYDNUSA-N 1 0 376.504 3.670 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)CC2)cc1 ZINC000904525287 860490450 /nfs/dbraw/zinc/49/04/50/860490450.db2.gz VOCJAZCVDVPBPP-JOCHJYFZSA-N 1 0 390.487 3.631 20 30 GHEDRO CCC[N@H+](CC(=O)N1CCCc2cc(OC)ccc21)Cc1ccc(C#N)cc1 ZINC000061001644 860526224 /nfs/dbraw/zinc/52/62/24/860526224.db2.gz DIEZGGAXODFNKL-UHFFFAOYSA-N 1 0 377.488 3.758 20 30 GHEDRO CC(C)([NH3+])c1ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 ZINC000904603552 860529398 /nfs/dbraw/zinc/52/93/98/860529398.db2.gz IGIFBNZJPZJRFW-UHFFFAOYSA-N 1 0 377.492 3.543 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1Br ZINC000598725541 860530619 /nfs/dbraw/zinc/53/06/19/860530619.db2.gz XFCJFKGDJZQTJX-GFCCVEGCSA-N 1 0 390.119 3.602 20 30 GHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000509014138 860550455 /nfs/dbraw/zinc/55/04/55/860550455.db2.gz WTZINCVROOOXSQ-UHFFFAOYSA-N 1 0 383.540 3.698 20 30 GHEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)C(C)C ZINC001168734381 860555082 /nfs/dbraw/zinc/55/50/82/860555082.db2.gz VKLPHVBXKQSMCT-IBGZPJMESA-N 1 0 375.432 3.848 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000428990161 860616000 /nfs/dbraw/zinc/61/60/00/860616000.db2.gz FJXUHYFQGVIOMG-GOSISDBHSA-N 1 0 393.256 3.552 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1 ZINC000922808157 860631891 /nfs/dbraw/zinc/63/18/91/860631891.db2.gz HQRDDNLWGFVRCT-HSZRJFAPSA-N 1 0 392.499 3.955 20 30 GHEDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3Br)C2)n1 ZINC000922862633 860688270 /nfs/dbraw/zinc/68/82/70/860688270.db2.gz OPMOICYAOLPNCL-TZMCWYRMSA-N 1 0 375.270 3.692 20 30 GHEDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)n1 ZINC000922864939 860690156 /nfs/dbraw/zinc/69/01/56/860690156.db2.gz GNNICBGXUNHKJL-IAGOWNOFSA-N 1 0 384.480 3.749 20 30 GHEDRO Cc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000153018663 881569870 /nfs/dbraw/zinc/56/98/70/881569870.db2.gz DIMKJRHJLUSVSV-UYAOXDASSA-N 1 0 380.488 3.991 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)N2CCc3c(CC#N)cccc3C2)[NH+]2CCCC2)o1 ZINC000598979552 860712402 /nfs/dbraw/zinc/71/24/02/860712402.db2.gz ZYMQSLWTLPHZFA-NRFANRHFSA-N 1 0 392.503 3.559 20 30 GHEDRO N#Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 ZINC000603473075 860733892 /nfs/dbraw/zinc/73/38/92/860733892.db2.gz GMWJPWDOPAZKRF-UHFFFAOYSA-N 1 0 390.365 3.807 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000125737515 860762029 /nfs/dbraw/zinc/76/20/29/860762029.db2.gz LDLIUPAWGQKITP-HSZRJFAPSA-N 1 0 380.488 3.765 20 30 GHEDRO C/C=C\C[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000599093869 860792234 /nfs/dbraw/zinc/79/22/34/860792234.db2.gz XJWGMUQLTFKXIU-AXMVSILFSA-N 1 0 380.536 3.910 20 30 GHEDRO C#Cc1cccc(N(CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2cccs2)c1 ZINC000114456438 881582043 /nfs/dbraw/zinc/58/20/43/881582043.db2.gz ZEZKKLFQHULARD-UHFFFAOYSA-N 1 0 395.572 3.725 20 30 GHEDRO Cc1ncc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)n1-c1ccccc1 ZINC000593693006 860863067 /nfs/dbraw/zinc/86/30/67/860863067.db2.gz LMTQXSNNFIGWNB-UHFFFAOYSA-N 1 0 385.515 3.807 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000730125107 860870995 /nfs/dbraw/zinc/87/09/95/860870995.db2.gz NKHCJTQHPMQQNV-ROUUACIJSA-N 1 0 398.551 3.577 20 30 GHEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693177 860904138 /nfs/dbraw/zinc/90/41/38/860904138.db2.gz RLNVAJGKGPZSRV-NLFFAJNJSA-N 1 0 388.559 3.948 20 30 GHEDRO C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000603632801 860954731 /nfs/dbraw/zinc/95/47/31/860954731.db2.gz CUWZRGRLTRFKOK-SFHVURJKSA-N 1 0 395.503 3.817 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)C(=O)NCc2ccccc2)cc1OC ZINC000623374980 860962689 /nfs/dbraw/zinc/96/26/89/860962689.db2.gz XSOVNQGJNHZVPJ-OAHLLOKOSA-N 1 0 388.895 3.708 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)N[C@@H]1CCOc2ccccc21 ZINC000329089344 861008844 /nfs/dbraw/zinc/00/88/44/861008844.db2.gz WBRXJTDCTPWNAV-MBDNFAEBSA-N 1 0 392.499 3.971 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)CCOCC1 ZINC000599286316 861013459 /nfs/dbraw/zinc/01/34/59/861013459.db2.gz GZJPABHMLZYCQP-JTHBVZDNSA-N 1 0 376.500 3.705 20 30 GHEDRO CCN1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329117362 861034588 /nfs/dbraw/zinc/03/45/88/861034588.db2.gz UMJLWHUCIOQDKS-GBESFXJTSA-N 1 0 395.906 3.972 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(C(=O)N(C)C)CCCC2)cc1OC ZINC000623417566 861035339 /nfs/dbraw/zinc/03/53/39/861035339.db2.gz DBNFHAIWFHWJAO-UHFFFAOYSA-N 1 0 380.916 3.652 20 30 GHEDRO N#Cc1ccc(CSCC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000603686041 861039272 /nfs/dbraw/zinc/03/92/72/861039272.db2.gz RLDFTYJZVWANNY-NRFANRHFSA-N 1 0 379.529 3.572 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000599313347 861053915 /nfs/dbraw/zinc/05/39/15/861053915.db2.gz IUMBNYSTLZXHLK-UXHICEINSA-N 1 0 375.472 3.659 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)CCOCC1 ZINC000599314371 861055501 /nfs/dbraw/zinc/05/55/01/861055501.db2.gz FJYWQXRRGXRTKN-YJBOKZPZSA-N 1 0 393.325 3.657 20 30 GHEDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000329137807 861056908 /nfs/dbraw/zinc/05/69/08/861056908.db2.gz HSROYPQNMGEOEA-AEFFLSMTSA-N 1 0 396.535 3.973 20 30 GHEDRO Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000329141911 861062857 /nfs/dbraw/zinc/06/28/57/861062857.db2.gz KUWMUCDBKAPCDM-HXUWFJFHSA-N 1 0 380.492 3.552 20 30 GHEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)CC3(C#N)CCOCC3)cc2)cs1 ZINC000599348628 861085143 /nfs/dbraw/zinc/08/51/43/861085143.db2.gz ASLCAISPJWHGLO-HNAYVOBHSA-N 1 0 385.533 3.841 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)CCOCC1 ZINC000599357498 861121232 /nfs/dbraw/zinc/12/12/32/861121232.db2.gz WJIKPHPLQJVNKQ-KRWDZBQOSA-N 1 0 382.426 3.746 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)CCOCC1 ZINC000599365408 861131890 /nfs/dbraw/zinc/13/18/90/861131890.db2.gz BIQLIBBAUFAIBH-SFHVURJKSA-N 1 0 376.447 3.515 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000599384902 861147770 /nfs/dbraw/zinc/14/77/70/861147770.db2.gz VKGOGGUBZDPDKH-SNRMKQJTSA-N 1 0 379.907 3.647 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)[C@H]2CCCc3nn(C)cc32)C[C@@H](C)O1 ZINC000329232844 861178565 /nfs/dbraw/zinc/17/85/65/861178565.db2.gz GJUWXGVLOVJVBA-NUJGCVRESA-N 1 0 382.508 3.737 20 30 GHEDRO COc1ccccc1NC(=O)C1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000329236100 861182060 /nfs/dbraw/zinc/18/20/60/861182060.db2.gz JEXYZRRGECZCNT-GOSISDBHSA-N 1 0 387.524 3.786 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001141902928 861188700 /nfs/dbraw/zinc/18/87/00/861188700.db2.gz JXNNCIWPFGCSCK-WOJBJXKFSA-N 1 0 396.332 3.885 20 30 GHEDRO COc1ccc([C@@H](CCO)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000182409808 863219057 /nfs/dbraw/zinc/21/90/57/863219057.db2.gz FSMQXBNJJHQJCV-LJQANCHMSA-N 1 0 379.378 3.659 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000027775849 863253801 /nfs/dbraw/zinc/25/38/01/863253801.db2.gz MXHJHRRLNAYBFT-UHFFFAOYSA-N 1 0 384.277 3.645 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000444066392 863264497 /nfs/dbraw/zinc/26/44/97/863264497.db2.gz SHQVIMQSJZHXMX-UHFFFAOYSA-N 1 0 377.897 3.854 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1OCC#N ZINC000282677008 863283821 /nfs/dbraw/zinc/28/38/21/863283821.db2.gz HJIJBPMUYGUNRF-OAQYLSRUSA-N 1 0 377.488 3.619 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1 ZINC000160194916 863397973 /nfs/dbraw/zinc/39/79/73/863397973.db2.gz JBKAECNFAXIDDM-QFBILLFUSA-N 1 0 390.466 3.598 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000062476523 863415752 /nfs/dbraw/zinc/41/57/52/863415752.db2.gz SRBNDRGIMBKUFI-UHFFFAOYSA-N 1 0 379.479 3.767 20 30 GHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508464194 863515495 /nfs/dbraw/zinc/51/54/95/863515495.db2.gz KWZOMABMDSRSDG-UHFFFAOYSA-N 1 0 395.551 3.664 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444172062 863589370 /nfs/dbraw/zinc/58/93/70/863589370.db2.gz ZETYBFNNFLXXFW-VIXZBYKASA-N 1 0 397.563 3.844 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000593992649 863691091 /nfs/dbraw/zinc/69/10/91/863691091.db2.gz BSEBGNWBZAQNHM-DNVFCKCGSA-N 1 0 375.516 3.906 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033052 863828935 /nfs/dbraw/zinc/82/89/35/863828935.db2.gz FSVUFVUASPMNSC-UHFFFAOYSA-N 1 0 378.432 3.773 20 30 GHEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480019749 863853133 /nfs/dbraw/zinc/85/31/33/863853133.db2.gz FXKSYEFVMIBDEE-WZONZLPQSA-N 1 0 385.515 3.884 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)s2)cc1 ZINC000594060192 863971653 /nfs/dbraw/zinc/97/16/53/863971653.db2.gz FLIXBYIPWIDUJT-RTBURBONSA-N 1 0 395.532 3.744 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cn2)cc1 ZINC000594064821 863996758 /nfs/dbraw/zinc/99/67/58/863996758.db2.gz KVSUCSGLZFUITC-PMACEKPBSA-N 1 0 391.475 3.884 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594065147 864005097 /nfs/dbraw/zinc/00/50/97/864005097.db2.gz PMGLBRHYRFLUDP-UHFFFAOYSA-N 1 0 378.476 3.700 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000554284014 864043035 /nfs/dbraw/zinc/04/30/35/864043035.db2.gz FXKYEIRQBRBWDP-KRWDZBQOSA-N 1 0 378.259 3.517 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1OCC(F)(F)F ZINC000609205131 881722035 /nfs/dbraw/zinc/72/20/35/881722035.db2.gz HBCMHNSBMJQWPD-MRXNPFEDSA-N 1 0 396.413 3.591 20 30 GHEDRO COc1ccc(CNC(=S)NN=C2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000734363072 864176734 /nfs/dbraw/zinc/17/67/34/864176734.db2.gz FQXSPIZECBCQNA-KRWDZBQOSA-N 1 0 396.560 3.557 20 30 GHEDRO Cc1cc(NC(=O)NC2(c3ccc(C#N)cc3)CCC2)n(C2CC[NH+](C)CC2)n1 ZINC000594071952 864319153 /nfs/dbraw/zinc/31/91/53/864319153.db2.gz DHELXZYQJKOLLW-UHFFFAOYSA-N 1 0 392.507 3.531 20 30 GHEDRO C=CC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccncc1 ZINC000734669437 864393554 /nfs/dbraw/zinc/39/35/54/864393554.db2.gz VUEPKUYHRJVDAT-LJQANCHMSA-N 1 0 388.581 3.750 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184376289 864399486 /nfs/dbraw/zinc/39/94/86/864399486.db2.gz PXZLYICZOJBUGH-UHFFFAOYSA-N 1 0 392.916 3.558 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)/C=C/c3ccccc3C#N)CC2)cc1 ZINC000063263253 864422700 /nfs/dbraw/zinc/42/27/00/864422700.db2.gz FNUSUUKQUKJFLM-DHZHZOJOSA-N 1 0 389.499 3.608 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000465411054 881767204 /nfs/dbraw/zinc/76/72/04/881767204.db2.gz ODQXKCWSLJDFJW-HKBOAZHASA-N 1 0 392.503 3.898 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000842157269 864524695 /nfs/dbraw/zinc/52/46/95/864524695.db2.gz QDIOBEPPAHPXRI-WOIUINJBSA-N 1 0 392.503 3.535 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000667674228 864630476 /nfs/dbraw/zinc/63/04/76/864630476.db2.gz XZLGYZDAKVSWPL-JSGCOSHPSA-N 1 0 382.302 3.605 20 30 GHEDRO C[N@@H+]1CC[C@H](C(=O)N2CCC(Nc3ccccc3C#N)CC2)[C@@H]1c1ccccc1 ZINC000898790844 864649885 /nfs/dbraw/zinc/64/98/85/864649885.db2.gz HJIAHGSHMWFZNY-GMAHTHKFSA-N 1 0 388.515 3.654 20 30 GHEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)Nc2cccc(C)c2C)[C@@H](C)C1 ZINC000735224098 864671380 /nfs/dbraw/zinc/67/13/80/864671380.db2.gz LWNVUBRLBXESKT-INIZCTEOSA-N 1 0 376.570 3.714 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475317578 864777518 /nfs/dbraw/zinc/77/75/18/864777518.db2.gz NTRAIOMZGBFGNG-UHFFFAOYSA-N 1 0 385.458 3.970 20 30 GHEDRO C[C@H](CC1CCOCC1)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475340736 864815381 /nfs/dbraw/zinc/81/53/81/864815381.db2.gz YGISAOQFQYHQTK-DYESRHJHSA-N 1 0 375.944 3.975 20 30 GHEDRO COc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c(C(F)(F)F)c1 ZINC000262475498 864838442 /nfs/dbraw/zinc/83/84/42/864838442.db2.gz HGMVYDRDNZYQTA-MRXNPFEDSA-N 1 0 379.382 3.642 20 30 GHEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000659304339 864895270 /nfs/dbraw/zinc/89/52/70/864895270.db2.gz BDBHDSNRMNLYFD-KOLCDFICSA-N 1 0 386.311 3.785 20 30 GHEDRO C#Cc1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)cn1 ZINC000776902495 881821980 /nfs/dbraw/zinc/82/19/80/881821980.db2.gz CRHFKAWHNHSARD-HXUWFJFHSA-N 1 0 383.442 3.687 20 30 GHEDRO CC[NH+]1CCN(c2cccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)c2)CC1 ZINC000184932297 865053984 /nfs/dbraw/zinc/05/39/84/865053984.db2.gz GNGCDQRZMDJLAT-QGZVFWFLSA-N 1 0 393.491 3.763 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC[C@@H]21 ZINC000154871424 865064726 /nfs/dbraw/zinc/06/47/26/865064726.db2.gz LNOLQANMDRJWDL-GMAHTHKFSA-N 1 0 389.499 3.694 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000173801638 865084574 /nfs/dbraw/zinc/08/45/74/865084574.db2.gz UYWXQRFELOHNIO-SFHVURJKSA-N 1 0 387.499 3.814 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184984304 865097309 /nfs/dbraw/zinc/09/73/09/865097309.db2.gz ITXLUHGQXRNWKU-FPOVZHCZSA-N 1 0 378.497 3.933 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC000173954158 865249965 /nfs/dbraw/zinc/24/99/65/865249965.db2.gz MCLGHAFVRDBUSE-UHFFFAOYSA-N 1 0 396.453 3.844 20 30 GHEDRO C=CC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000480798119 865289934 /nfs/dbraw/zinc/28/99/34/865289934.db2.gz XTWJYTFOUDYKDG-GOSISDBHSA-N 1 0 375.476 3.793 20 30 GHEDRO COCC[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc(C#N)cc1 ZINC000063754155 865304034 /nfs/dbraw/zinc/30/40/34/865304034.db2.gz AWKSPIIEQGRWAH-UHFFFAOYSA-N 1 0 382.489 3.751 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000171724570 865344156 /nfs/dbraw/zinc/34/41/56/865344156.db2.gz PLTGGEWOECVJFZ-JOCHJYFZSA-N 1 0 397.494 3.873 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cccc(Br)c1)C(C)C ZINC000532351729 881864973 /nfs/dbraw/zinc/86/49/73/881864973.db2.gz FMGQMNDIMOJEAA-HNNXBMFYSA-N 1 0 380.330 3.668 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000594211100 865384988 /nfs/dbraw/zinc/38/49/88/865384988.db2.gz HENPQVRPUYKZER-WZONZLPQSA-N 1 0 391.515 3.699 20 30 GHEDRO CC(C)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000532352525 881866052 /nfs/dbraw/zinc/86/60/52/881866052.db2.gz LRBBRBVXJXNKJK-UHFFFAOYSA-N 1 0 380.414 3.572 20 30 GHEDRO Cc1nc(SCC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000063822743 865438342 /nfs/dbraw/zinc/43/83/42/865438342.db2.gz CZPHVYORRFWSIF-OAHLLOKOSA-N 1 0 388.581 3.599 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000042184280 865493782 /nfs/dbraw/zinc/49/37/82/865493782.db2.gz FQAUNBPEAHFARH-STQMWFEESA-N 1 0 387.867 3.907 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000508479202 865500136 /nfs/dbraw/zinc/50/01/36/865500136.db2.gz WZNSTYRQGGFNKB-UHFFFAOYSA-N 1 0 383.540 3.545 20 30 GHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccco1 ZINC000594248183 865600398 /nfs/dbraw/zinc/60/03/98/865600398.db2.gz OQYKCRHMYLTGEQ-VQIMIIECSA-N 1 0 380.492 3.959 20 30 GHEDRO CCCN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000063930621 865675367 /nfs/dbraw/zinc/67/53/67/865675367.db2.gz ZPFGHTAUSNOPLA-UHFFFAOYSA-N 1 0 378.520 3.608 20 30 GHEDRO CC[C@@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000560638137 865686947 /nfs/dbraw/zinc/68/69/47/865686947.db2.gz MMUONJAXFQTYSZ-JOCHJYFZSA-N 1 0 391.490 3.852 20 30 GHEDRO CC1CC[NH+](CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740033729 865834347 /nfs/dbraw/zinc/83/43/47/865834347.db2.gz PQMTYDLUPXGDHE-UHFFFAOYSA-N 1 0 382.533 3.818 20 30 GHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000555290871 865855190 /nfs/dbraw/zinc/85/51/90/865855190.db2.gz HCHROJHEPDMQPA-UHFFFAOYSA-N 1 0 395.551 3.540 20 30 GHEDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740483326 865929787 /nfs/dbraw/zinc/92/97/87/865929787.db2.gz QZLVWJWMAJTPIG-UHFFFAOYSA-N 1 0 382.533 3.912 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000740737576 865975409 /nfs/dbraw/zinc/97/54/09/865975409.db2.gz RGZNERPNLAPLTF-UHFFFAOYSA-N 1 0 385.360 3.831 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)n1 ZINC000897298783 866023491 /nfs/dbraw/zinc/02/34/91/866023491.db2.gz JDRCKPNDOFMJLQ-QGZVFWFLSA-N 1 0 392.532 3.688 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)sc2c1CCC2 ZINC000151922275 866269431 /nfs/dbraw/zinc/26/94/31/866269431.db2.gz LYYLSPZEBFHOOQ-PBHICJAKSA-N 1 0 399.516 3.618 20 30 GHEDRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000534475823 866882670 /nfs/dbraw/zinc/88/26/70/866882670.db2.gz SUIRKKGYTHCKGI-UHFFFAOYSA-N 1 0 395.890 3.844 20 30 GHEDRO C=CCOc1ccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1OC ZINC000121284113 882027681 /nfs/dbraw/zinc/02/76/81/882027681.db2.gz JIDUXMSLQQENGP-UHFFFAOYSA-N 1 0 382.504 3.729 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(OCc2ccccc2)c1 ZINC000444716320 867131000 /nfs/dbraw/zinc/13/10/00/867131000.db2.gz JEXOAJNEJINCHJ-HXOBKFHXSA-N 1 0 377.488 3.725 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000841408756 882064702 /nfs/dbraw/zinc/06/47/02/882064702.db2.gz GHLCYGNDXRXPRR-UHFFFAOYSA-N 1 0 392.459 3.514 20 30 GHEDRO C=CC[C@H]1[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCCC1(C)C ZINC000444789705 867253297 /nfs/dbraw/zinc/25/32/97/867253297.db2.gz FYVZHNHISCLQEV-QGZVFWFLSA-N 1 0 377.916 3.834 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc(OC)c1OC ZINC000742396699 867261119 /nfs/dbraw/zinc/26/11/19/867261119.db2.gz FIVVDQDAAGOGDH-HXUWFJFHSA-N 1 0 382.504 3.773 20 30 GHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523470079 867352325 /nfs/dbraw/zinc/35/23/25/867352325.db2.gz RHIVFMVVUSNRCA-NFBKMPQASA-N 1 0 375.516 3.733 20 30 GHEDRO COc1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)ccc1C#N ZINC000440611700 867501189 /nfs/dbraw/zinc/50/11/89/867501189.db2.gz HNLIAQCKTVGYBM-UHFFFAOYSA-N 1 0 399.292 3.618 20 30 GHEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000553483922 867525853 /nfs/dbraw/zinc/52/58/53/867525853.db2.gz JECKSEKMBMIJCK-NQIIRXRSSA-N 1 0 379.504 3.886 20 30 GHEDRO N#CC1(NC(=O)CCCOCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479317633 867551911 /nfs/dbraw/zinc/55/19/11/867551911.db2.gz RMVOADBOBJLFKC-UHFFFAOYSA-N 1 0 391.515 3.658 20 30 GHEDRO CN(C(=O)C[C@H](CC#N)c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072662 867657278 /nfs/dbraw/zinc/65/72/78/867657278.db2.gz SEGOVPUUBTVXCU-KRWDZBQOSA-N 1 0 381.442 3.949 20 30 GHEDRO C=C[C@@](C)(O)CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193743 867795626 /nfs/dbraw/zinc/79/56/26/867795626.db2.gz IUOGRGNSNXUAQX-ISKFKSNPSA-N 1 0 384.564 3.997 20 30 GHEDRO C#CCOc1ccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000743151780 867880434 /nfs/dbraw/zinc/88/04/34/867880434.db2.gz HDOYBNBNYANNGK-IBGZPJMESA-N 1 0 377.488 3.827 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000743147769 867898925 /nfs/dbraw/zinc/89/89/25/867898925.db2.gz SWIHKXJHPMBZCO-UZLBHIALSA-N 1 0 383.517 3.965 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000743202709 867953827 /nfs/dbraw/zinc/95/38/27/867953827.db2.gz SAWOFADQPXPBCY-LJQANCHMSA-N 1 0 395.478 3.871 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H]([NH+](CC)CC)C2)c1=S ZINC000743394899 868153254 /nfs/dbraw/zinc/15/32/54/868153254.db2.gz QKUSUEWVRONFBU-IBGZPJMESA-N 1 0 385.581 3.949 20 30 GHEDRO C=CCc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000457375950 868192915 /nfs/dbraw/zinc/19/29/15/868192915.db2.gz MCCZUELXSNZYCO-UXHICEINSA-N 1 0 398.478 3.528 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000523918424 868243809 /nfs/dbraw/zinc/24/38/09/868243809.db2.gz KKMNBJLYURKMLE-UHFFFAOYSA-N 1 0 398.320 3.770 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000523929256 868283261 /nfs/dbraw/zinc/28/32/61/868283261.db2.gz OTAGSFLEOIYXAI-GOSISDBHSA-N 1 0 376.501 3.659 20 30 GHEDRO C=CCOc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000553902398 868435543 /nfs/dbraw/zinc/43/55/43/868435543.db2.gz UZSLNTPMYRYSQC-UHFFFAOYSA-N 1 0 379.504 3.847 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CC1 ZINC000524154048 868621830 /nfs/dbraw/zinc/62/18/30/868621830.db2.gz JDGJJZDFLICOAC-UHFFFAOYSA-N 1 0 396.466 3.882 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1C#N ZINC000440807086 868648714 /nfs/dbraw/zinc/64/87/14/868648714.db2.gz HNEMJPWDSDIUNV-QGZVFWFLSA-N 1 0 386.293 3.698 20 30 GHEDRO CCN1CC[C@@H](NC(=O)c2cc(C)c(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457718502 868679511 /nfs/dbraw/zinc/67/95/11/868679511.db2.gz VVFVKJGGABQEAW-IEBWSBKVSA-N 1 0 386.858 3.620 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000457929326 869000958 /nfs/dbraw/zinc/00/09/58/869000958.db2.gz NIMQTWFNHGFJOJ-VXKWHMMOSA-N 1 0 378.520 3.894 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2c(CC)onc2-c2ccccc2Cl)CC1 ZINC000793551998 882261307 /nfs/dbraw/zinc/26/13/07/882261307.db2.gz GSUOWSSILHHOES-UHFFFAOYSA-N 1 0 385.895 3.775 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000524520189 869217700 /nfs/dbraw/zinc/21/77/00/869217700.db2.gz RCHLJIMRIOSXMV-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000524520913 869220317 /nfs/dbraw/zinc/22/03/17/869220317.db2.gz JPOBMZNUUFHLAT-RBUKOAKNSA-N 1 0 391.515 3.987 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000524549654 869241841 /nfs/dbraw/zinc/24/18/41/869241841.db2.gz JSNJNYIVGSCQLI-HXUWFJFHSA-N 1 0 377.488 3.597 20 30 GHEDRO C=CCC[C@@H](O)CN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428789139 869315228 /nfs/dbraw/zinc/31/52/28/869315228.db2.gz OBYLUVVNOJBURU-BJKOFHAPSA-N 1 0 379.548 3.875 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508858281 869574821 /nfs/dbraw/zinc/57/48/21/869574821.db2.gz RAYYMHYRFUUPHG-UHFFFAOYSA-N 1 0 377.895 3.890 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000462507983 869578363 /nfs/dbraw/zinc/57/83/63/869578363.db2.gz BNGAZIIMWLGZHT-UHFFFAOYSA-N 1 0 388.002 3.927 20 30 GHEDRO C[C@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCc2ccccc21 ZINC000539807684 869817688 /nfs/dbraw/zinc/81/76/88/869817688.db2.gz YXUWVUYMYLAEMH-QHCPKHFHSA-N 1 0 385.471 3.524 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508862879 870214942 /nfs/dbraw/zinc/21/49/42/870214942.db2.gz HQNLRKJUISFSGA-QGZVFWFLSA-N 1 0 389.931 3.570 20 30 GHEDRO N#Cc1c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cn2ccccc12 ZINC000538666287 870279508 /nfs/dbraw/zinc/27/95/08/870279508.db2.gz QFOPEMHQLMCTHR-GOSISDBHSA-N 1 0 382.471 3.976 20 30 GHEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2ccccc2)n1 ZINC000540066253 870304002 /nfs/dbraw/zinc/30/40/02/870304002.db2.gz NMBKCENTFYPOSO-HXUWFJFHSA-N 1 0 389.478 3.856 20 30 GHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609108725 870419113 /nfs/dbraw/zinc/41/91/13/870419113.db2.gz JSWIKFUUZHAEKO-QHCPKHFHSA-N 1 0 390.531 3.684 20 30 GHEDRO N#CC1(NC(=O)c2cc(C3CC3)cnc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000793782758 882408750 /nfs/dbraw/zinc/40/87/50/882408750.db2.gz HZKSHSQQLNZNHX-UHFFFAOYSA-N 1 0 394.906 3.901 20 30 GHEDRO C=CCn1c(CCCC)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508866472 870481117 /nfs/dbraw/zinc/48/11/17/870481117.db2.gz LAHYIYODVLNLIK-KDURUIRLSA-N 1 0 389.588 3.522 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000525387427 870619774 /nfs/dbraw/zinc/61/97/74/870619774.db2.gz AXGDDEDDJSDQJH-GHTZIAJQSA-N 1 0 397.544 3.713 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2OC)c(OC)c1 ZINC000525407646 870639891 /nfs/dbraw/zinc/63/98/91/870639891.db2.gz CGMGOTMRSJZECQ-IBGZPJMESA-N 1 0 382.460 3.800 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000775546796 870654524 /nfs/dbraw/zinc/65/45/24/870654524.db2.gz FZIZZCJZNRJAQK-YOEHRIQHSA-N 1 0 394.393 3.742 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000248876283 870673065 /nfs/dbraw/zinc/67/30/65/870673065.db2.gz CNSJLTVASSTPHV-PXNSSMCTSA-N 1 0 385.552 3.666 20 30 GHEDRO C=CCC[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000249291166 870804089 /nfs/dbraw/zinc/80/40/89/870804089.db2.gz VVQHHRHBRAATQM-HNTVYWHESA-N 1 0 381.564 3.506 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000525505432 870806189 /nfs/dbraw/zinc/80/61/89/870806189.db2.gz NZCCTRMFISSENT-YWZLYKJASA-N 1 0 398.894 3.623 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000461736432 870829110 /nfs/dbraw/zinc/82/91/10/870829110.db2.gz LDVRQFBGJGSBOY-UWJYYQICSA-N 1 0 377.488 3.624 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)CCCCC2=O ZINC000643515894 870834127 /nfs/dbraw/zinc/83/41/27/870834127.db2.gz GMNIYJQGHBJVIQ-UHFFFAOYSA-N 1 0 389.499 3.671 20 30 GHEDRO C[C@H](C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000463147588 871014705 /nfs/dbraw/zinc/01/47/05/871014705.db2.gz DZZQJQMWGAIKTG-HNNXBMFYSA-N 1 0 382.895 3.706 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000429714550 871035673 /nfs/dbraw/zinc/03/56/73/871035673.db2.gz LAOAORKVOBWWHU-UHFFFAOYSA-N 1 0 384.451 3.766 20 30 GHEDRO N#Cc1c[nH]c2nc(Cl)cc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)c12 ZINC001168992666 871073419 /nfs/dbraw/zinc/07/34/19/871073419.db2.gz BRFOTUKQOKBPHB-UHFFFAOYSA-N 1 0 385.258 3.972 20 30 GHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508870620 871119885 /nfs/dbraw/zinc/11/98/85/871119885.db2.gz APPILXWNQPHFHJ-HXUWFJFHSA-N 1 0 395.551 3.670 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CCCO)c2ccccc2)ccc1Cl ZINC000540398748 871181556 /nfs/dbraw/zinc/18/15/56/871181556.db2.gz RUFDYPNUPMFSRY-OAQYLSRUSA-N 1 0 399.922 3.999 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)c(C#N)c1C ZINC000181578880 871202341 /nfs/dbraw/zinc/20/23/41/871202341.db2.gz ZRNCSPNQSAMQGY-CYBMUJFWSA-N 1 0 385.439 3.985 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428809190 871234574 /nfs/dbraw/zinc/23/45/74/871234574.db2.gz FVXZDZFPZIMARU-LJQANCHMSA-N 1 0 379.460 3.562 20 30 GHEDRO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)COCc1ccccc1 ZINC000181606809 871271617 /nfs/dbraw/zinc/27/16/17/871271617.db2.gz PPNKOGVJICETFC-HXUWFJFHSA-N 1 0 377.532 3.965 20 30 GHEDRO CSc1nc(-c2ccc(C)cc2)c(C#N)c(-n2ncc3c2cccc3C[NH3+])n1 ZINC001169194794 871288423 /nfs/dbraw/zinc/28/84/23/871288423.db2.gz JVGMQNJEBHFSIR-UHFFFAOYSA-N 1 0 386.484 3.843 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000539184915 871474929 /nfs/dbraw/zinc/47/49/29/871474929.db2.gz JAMLZCBQLBBLFX-CRAIPNDOSA-N 1 0 387.443 3.684 20 30 GHEDRO NC(=[NH+]OCc1ccc(C(F)(F)F)cn1)c1ccc(N2CCCCC2)cc1 ZINC000766714332 871524430 /nfs/dbraw/zinc/52/44/30/871524430.db2.gz YERJMNXNMXNTQF-UHFFFAOYSA-N 1 0 378.398 3.928 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000539227435 871544540 /nfs/dbraw/zinc/54/45/40/871544540.db2.gz UDGGQLZEOZBYGL-QGZVFWFLSA-N 1 0 386.455 3.822 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000462069634 871566717 /nfs/dbraw/zinc/56/67/17/871566717.db2.gz SKNIQHKCPVQFHE-RTBURBONSA-N 1 0 391.515 3.678 20 30 GHEDRO CCCN(CC[NH+]1CCCCC1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001194239605 871578811 /nfs/dbraw/zinc/57/88/11/871578811.db2.gz CQXCXIQZUVHYHE-FUHYEJFZSA-N 1 0 376.589 3.504 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463399756 871628871 /nfs/dbraw/zinc/62/88/71/871628871.db2.gz JVLSJFGHHUCNET-PWIZWCRZSA-N 1 0 387.524 3.512 20 30 GHEDRO N#Cc1ccc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)c([N+](=O)[O-])c1 ZINC001169607622 871669362 /nfs/dbraw/zinc/66/93/62/871669362.db2.gz CRASTQHFUSGUKY-UHFFFAOYSA-N 1 0 390.321 3.810 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000182003305 871739184 /nfs/dbraw/zinc/73/91/84/871739184.db2.gz SLZLHCYCNOOHKO-LJQANCHMSA-N 1 0 391.515 3.721 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(C#N)cc1 ZINC000447527946 871757215 /nfs/dbraw/zinc/75/72/15/871757215.db2.gz HOCGCDUQEXCMHV-NRFANRHFSA-N 1 0 385.533 3.830 20 30 GHEDRO N#CCc1ccccc1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000776980783 882550510 /nfs/dbraw/zinc/55/05/10/882550510.db2.gz VADUGAHTXYVBSJ-ZEQRLZLVSA-N 1 0 387.527 3.808 20 30 GHEDRO CCCCCCCCOC(=O)NC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001194752679 871907924 /nfs/dbraw/zinc/90/79/24/871907924.db2.gz OZRVFUTZVVEELA-UHFFFAOYSA-N 1 0 389.540 3.593 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC001169844593 871934474 /nfs/dbraw/zinc/93/44/74/871934474.db2.gz OAFGSKPZTIIGTL-QHCPKHFHSA-N 1 0 397.588 3.662 20 30 GHEDRO COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)C2)cc(OC)c1 ZINC000540708386 871948051 /nfs/dbraw/zinc/94/80/51/871948051.db2.gz WHBQGYMUQGFZJT-HNAYVOBHSA-N 1 0 383.467 3.640 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000477812157 871956625 /nfs/dbraw/zinc/95/66/25/871956625.db2.gz BJNGDYDXGVAZKZ-UHFFFAOYSA-N 1 0 381.442 3.574 20 30 GHEDRO CC(C)C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)Nc1nccs1 ZINC000552063104 871964284 /nfs/dbraw/zinc/96/42/84/871964284.db2.gz PDOHRTKXOHCCGI-LJQANCHMSA-N 1 0 397.548 3.627 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000477885842 872076203 /nfs/dbraw/zinc/07/62/03/872076203.db2.gz YVBPWKUFOFLSOM-UHFFFAOYSA-N 1 0 375.561 3.672 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418340882 882588511 /nfs/dbraw/zinc/58/85/11/882588511.db2.gz CUIWHOFENOAHHE-OAQYLSRUSA-N 1 0 385.508 3.683 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@H]21 ZINC000767039657 872212844 /nfs/dbraw/zinc/21/28/44/872212844.db2.gz GEGCCFNPWOLRIS-AZUAARDMSA-N 1 0 394.544 3.912 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)on2)c1 ZINC000619110854 872300729 /nfs/dbraw/zinc/30/07/29/872300729.db2.gz YEDWWQMQKDFVGL-UHFFFAOYSA-N 1 0 378.476 3.551 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478006530 872305555 /nfs/dbraw/zinc/30/55/55/872305555.db2.gz ZSRPVSKUHWALAN-IBGZPJMESA-N 1 0 379.426 3.849 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[NH+]2CCCC2)c1 ZINC000540848343 872306572 /nfs/dbraw/zinc/30/65/72/872306572.db2.gz RKCAWPNPYYSERU-HXUWFJFHSA-N 1 0 383.879 3.787 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2cc(F)ccc2Br)CC1 ZINC000182407034 872307957 /nfs/dbraw/zinc/30/79/57/872307957.db2.gz ZTOHUUVNZNDIEM-UHFFFAOYSA-N 1 0 383.305 3.678 20 30 GHEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCS2 ZINC000526966214 872373423 /nfs/dbraw/zinc/37/34/23/872373423.db2.gz LGKDYZLOQJSYJY-PMACEKPBSA-N 1 0 393.512 3.889 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NCCOC)cc1 ZINC000022793687 872389921 /nfs/dbraw/zinc/38/99/21/872389921.db2.gz YGFDAIBBLOIKLR-UHFFFAOYSA-O 1 0 385.553 3.718 20 30 GHEDRO N#CC1(NC(=O)CCc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000540891969 872401398 /nfs/dbraw/zinc/40/13/98/872401398.db2.gz DOZYCCPWBAPQHL-UHFFFAOYSA-N 1 0 381.907 3.947 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001195420052 872408293 /nfs/dbraw/zinc/40/82/93/872408293.db2.gz HLQSNEPJBXDPII-AJSBUHFISA-N 1 0 388.515 3.634 20 30 GHEDRO COC(=O)c1cccc(CN(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001195423355 872411965 /nfs/dbraw/zinc/41/19/65/872411965.db2.gz DQWJEBNKBMSUFT-OAQYLSRUSA-N 1 0 391.515 3.830 20 30 GHEDRO C=C(Br)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000921125410 882618807 /nfs/dbraw/zinc/61/88/07/882618807.db2.gz MNJNSTKJZQCOBM-KRWDZBQOSA-N 1 0 380.330 3.667 20 30 GHEDRO N#CC[C@@H](CC(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000619441418 872630730 /nfs/dbraw/zinc/63/07/30/872630730.db2.gz BNDHWKFGFNGPEI-FQEVSTJZSA-N 1 0 377.488 3.669 20 30 GHEDRO CCC(CC)(CNS(=O)(=O)c1cccc(CC#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000619482994 872680065 /nfs/dbraw/zinc/68/00/65/872680065.db2.gz CFKBLQCESLZVKF-GOSISDBHSA-N 1 0 399.560 3.941 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619490230 872686708 /nfs/dbraw/zinc/68/67/08/872686708.db2.gz JEGFJWNZWVBCLZ-UHFFFAOYSA-N 1 0 399.560 3.853 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418342069 882644445 /nfs/dbraw/zinc/64/44/45/882644445.db2.gz IFTCVFLXUUUCQQ-AWEZNQCLSA-N 1 0 398.320 3.676 20 30 GHEDRO NC(=[NH+]O[C@@H]1CCCc2ccc(F)cc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000775680225 872811505 /nfs/dbraw/zinc/81/15/05/872811505.db2.gz FEPOKEZMHKQLLI-OAQYLSRUSA-N 1 0 383.467 3.501 20 30 GHEDRO N#CC1(CCC[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)CCOCC1 ZINC000619621256 872830967 /nfs/dbraw/zinc/83/09/67/872830967.db2.gz CMRIFUGQQRPYIL-FQEVSTJZSA-N 1 0 397.519 3.515 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756640 872966852 /nfs/dbraw/zinc/96/68/52/872966852.db2.gz GGOZAFRVWKZOBD-GJZGRUSLSA-N 1 0 376.932 3.767 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619760336 872972620 /nfs/dbraw/zinc/97/26/20/872972620.db2.gz FRIAKPHSEXLWRL-MGPUTAFESA-N 1 0 382.895 3.531 20 30 GHEDRO COC(=O)c1cccc(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000527299003 872976233 /nfs/dbraw/zinc/97/62/33/872976233.db2.gz JXWKYTKGCBDJPK-QZTJIDSGSA-N 1 0 391.515 3.591 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1Cl ZINC000619748881 872986047 /nfs/dbraw/zinc/98/60/47/872986047.db2.gz RIRRRQSIGJMMGV-UHFFFAOYSA-N 1 0 379.641 3.993 20 30 GHEDRO CC(C)(C)[C@@H]([NH2+]CN1CC(=O)N(Cc2ccccc2C#N)C1=O)c1ccccc1 ZINC000102390018 872989908 /nfs/dbraw/zinc/98/99/08/872989908.db2.gz DRCKKDLCCGFOFQ-NRFANRHFSA-N 1 0 390.487 3.657 20 30 GHEDRO Cc1ccccc1CN1CCO[C@@H](c2noc(-c3sccc3CC#N)n2)C1 ZINC000867179418 873157981 /nfs/dbraw/zinc/15/79/81/873157981.db2.gz APLWNVZJSMJUOT-QGZVFWFLSA-N 1 0 380.473 3.746 20 30 GHEDRO Cc1c(C[NH+]2CCN(c3ccccc3C#N)CC2)sc2nc(C)nc(C)c12 ZINC000768241227 873166948 /nfs/dbraw/zinc/16/69/48/873166948.db2.gz PKSSSNOIRKRWTD-UHFFFAOYSA-N 1 0 377.517 3.810 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1OC ZINC000768248473 873189753 /nfs/dbraw/zinc/18/97/53/873189753.db2.gz GBQYMYJFSJICJV-KRWDZBQOSA-N 1 0 376.497 3.701 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)cc(OC)c1O ZINC000768345445 873267585 /nfs/dbraw/zinc/26/75/85/873267585.db2.gz UOUCUGGDHVTSKN-UHFFFAOYSA-N 1 0 390.524 3.866 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000464167743 873330215 /nfs/dbraw/zinc/33/02/15/873330215.db2.gz LOZVSCLMZLJVRC-UWJYYQICSA-N 1 0 380.488 3.510 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000768504693 873343331 /nfs/dbraw/zinc/34/33/31/873343331.db2.gz VTVPJIRIMLKVFJ-JKSUJKDBSA-N 1 0 389.594 3.702 20 30 GHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)no2)c1 ZINC001196774527 873383279 /nfs/dbraw/zinc/38/32/79/873383279.db2.gz JPSRQRZSOJWKRE-FQEVSTJZSA-N 1 0 386.455 3.608 20 30 GHEDRO CC[C@@]1(O)CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC001196831619 873390641 /nfs/dbraw/zinc/39/06/41/873390641.db2.gz MPRPIZFMBZBXMT-JOCHJYFZSA-N 1 0 386.540 3.657 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)nc1 ZINC000768662685 873487242 /nfs/dbraw/zinc/48/72/42/873487242.db2.gz BBAAKLOTIWZWQU-UHFFFAOYSA-N 1 0 386.839 3.995 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3ccc4c(c3)OCCCCO4)CCOCC2)cc1 ZINC000527809356 873594489 /nfs/dbraw/zinc/59/44/89/873594489.db2.gz JWBBOOCSALIOAD-UHFFFAOYSA-N 1 0 378.472 3.905 20 30 GHEDRO N#Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1Br ZINC000448622449 873681515 /nfs/dbraw/zinc/68/15/15/873681515.db2.gz NYGJKDFXLDHCKX-UHFFFAOYSA-N 1 0 398.304 3.669 20 30 GHEDRO CCc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCOC)ccc1C#N ZINC001197308490 873697981 /nfs/dbraw/zinc/69/79/81/873697981.db2.gz XCNYUFRHGMHQGF-NRFANRHFSA-N 1 0 399.922 3.823 20 30 GHEDRO C=C[C@H]1CCCCN1C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000494649459 882761330 /nfs/dbraw/zinc/76/13/30/882761330.db2.gz BBCPAIKDSFOTDX-IBGZPJMESA-N 1 0 389.540 3.666 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(Br)cc1C#N ZINC000448708401 873832748 /nfs/dbraw/zinc/83/27/48/873832748.db2.gz KVUQMNDNBSWMDE-CQSZACIVSA-N 1 0 378.314 3.705 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(C#N)c1Br ZINC000448711123 873834992 /nfs/dbraw/zinc/83/49/92/873834992.db2.gz WYKXSMQYBVJRKG-CQSZACIVSA-N 1 0 378.314 3.705 20 30 GHEDRO C[C@H]1CCC[C@@](CNC(=O)c2cccc(C#N)c2Br)([NH+](C)C)C1 ZINC000448766841 873908975 /nfs/dbraw/zinc/90/89/75/873908975.db2.gz FSKJLGVWLYZKRJ-SCLBCKFNSA-N 1 0 378.314 3.561 20 30 GHEDRO COc1cccc([C@H](C)N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000769329904 873968710 /nfs/dbraw/zinc/96/87/10/873968710.db2.gz VLKNJXOKUQGUKV-FQEVSTJZSA-N 1 0 392.547 3.924 20 30 GHEDRO Cc1ccc(C[NH+]2C[C@@H]3CN(C(=S)Nc4cccc(C#N)c4)C[C@H]3C2)cc1 ZINC001197688718 873983948 /nfs/dbraw/zinc/98/39/48/873983948.db2.gz OAEGUOUEHJKPDF-WOJBJXKFSA-N 1 0 376.529 3.627 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Cl)c(F)cc1Br ZINC000448802514 874010427 /nfs/dbraw/zinc/01/04/27/874010427.db2.gz WZPVNULHOQYEAN-UHFFFAOYSA-N 1 0 390.684 3.549 20 30 GHEDRO CCCCCCCOc1cccc(C[NH+]2CCC(S(=O)(=O)NC)CC2)c1 ZINC000769390566 874017300 /nfs/dbraw/zinc/01/73/00/874017300.db2.gz WIGZKGLRRBEEDS-UHFFFAOYSA-N 1 0 382.570 3.549 20 30 GHEDRO CCC[NH+]1CCN(c2ccccc2CN=Nc2oc(C(C)(C)C)nc2C#N)CC1 ZINC000746498411 874019955 /nfs/dbraw/zinc/01/99/55/874019955.db2.gz OHYPFCRBCUBUEK-UHFFFAOYSA-N 1 0 394.523 3.822 20 30 GHEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000769419016 874035204 /nfs/dbraw/zinc/03/52/04/874035204.db2.gz KINKXEWKCXRGGP-INIZCTEOSA-N 1 0 377.406 3.658 20 30 GHEDRO Cc1ccc(C(=O)CCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000464533909 874053310 /nfs/dbraw/zinc/05/33/10/874053310.db2.gz JICHUYUVZWQZSO-UHFFFAOYSA-N 1 0 391.515 3.810 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(OC(F)F)cc2F)CC1 ZINC000491324037 874136905 /nfs/dbraw/zinc/13/69/05/874136905.db2.gz QZIAJSVUFYEOHP-UHFFFAOYSA-N 1 0 375.366 3.728 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000609133385 874152927 /nfs/dbraw/zinc/15/29/27/874152927.db2.gz VDKBDUBUQQTHNK-LJQANCHMSA-N 1 0 391.515 3.745 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C#N)c1C ZINC000595778901 874218014 /nfs/dbraw/zinc/21/80/14/874218014.db2.gz VSXKJSNVBBJOHA-CVEARBPZSA-N 1 0 375.538 3.891 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)C(C)C ZINC001198155063 874251462 /nfs/dbraw/zinc/25/14/62/874251462.db2.gz WBCMBQOPJPQYPB-HXUWFJFHSA-N 1 0 385.556 3.892 20 30 GHEDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1cc(C#N)cs1 ZINC001198194509 874288324 /nfs/dbraw/zinc/28/83/24/874288324.db2.gz FQJFWDYHTUBPOE-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)c1 ZINC000537649815 882819338 /nfs/dbraw/zinc/81/93/38/882819338.db2.gz FMVNTSBJNVBEKO-QGZVFWFLSA-N 1 0 384.442 3.874 20 30 GHEDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000464767054 874457703 /nfs/dbraw/zinc/45/77/03/874457703.db2.gz BYVCJSMYURWEFP-ROUUACIJSA-N 1 0 398.494 3.779 20 30 GHEDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCS1 ZINC000464774283 874466661 /nfs/dbraw/zinc/46/66/61/874466661.db2.gz MCPJGGQXSCUERZ-QGZVFWFLSA-N 1 0 377.579 3.901 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccnc1Br)C(C)C ZINC000770275861 874561609 /nfs/dbraw/zinc/56/16/09/874561609.db2.gz VGXKXNGLQUINKP-HNNXBMFYSA-N 1 0 381.318 3.664 20 30 GHEDRO Fc1cc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)cnc1N1CCOCC1 ZINC000262624749 874590370 /nfs/dbraw/zinc/59/03/70/874590370.db2.gz DFOGBBZJZQEDPB-UHFFFAOYSA-N 1 0 397.498 3.511 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2oc3ccccc3c2C)c1 ZINC001170013959 874603148 /nfs/dbraw/zinc/60/31/48/874603148.db2.gz NKUQWQLCKFNXJG-HNNXBMFYSA-N 1 0 375.428 3.721 20 30 GHEDRO N#CCC1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000541952475 874622413 /nfs/dbraw/zinc/62/24/13/874622413.db2.gz WMNWYQHDNAWVML-SFHVURJKSA-N 1 0 379.426 3.822 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2)CC1 ZINC000770426676 874675242 /nfs/dbraw/zinc/67/52/42/874675242.db2.gz OFJTYBZVBIWHHJ-UHFFFAOYSA-N 1 0 397.910 3.637 20 30 GHEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCNc1ccc(C#N)cn1 ZINC001199160416 874831673 /nfs/dbraw/zinc/83/16/73/874831673.db2.gz BXQGIOFORAZJGR-UHFFFAOYSA-N 1 0 394.910 3.670 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000804455046 882867521 /nfs/dbraw/zinc/86/75/21/882867521.db2.gz CAAIIKCLUZJZRI-JTHBVZDNSA-N 1 0 378.491 3.789 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 ZINC000770805610 874877096 /nfs/dbraw/zinc/87/70/96/874877096.db2.gz LKFLYQCAPYEFHH-KRWDZBQOSA-N 1 0 387.524 3.806 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)o1 ZINC000121745984 874916742 /nfs/dbraw/zinc/91/67/42/874916742.db2.gz SNJLKYLVGUKMST-GFCCVEGCSA-N 1 0 375.354 3.592 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)o1 ZINC000121746151 874916759 /nfs/dbraw/zinc/91/67/59/874916759.db2.gz SNJLKYLVGUKMST-LBPRGKRZSA-N 1 0 375.354 3.592 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@H](O)c3ccc(C(F)(F)F)cc3)CCOCC2)cc1 ZINC000528780077 875052332 /nfs/dbraw/zinc/05/23/32/875052332.db2.gz BAWFJBOQBBRIJB-IBGZPJMESA-N 1 0 390.405 3.906 20 30 GHEDRO CC(C)c1ccccc1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528780452 875052733 /nfs/dbraw/zinc/05/27/33/875052733.db2.gz CRYRVUNEWLNZGM-UHFFFAOYSA-N 1 0 377.488 3.916 20 30 GHEDRO N#Cc1cc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)cs1 ZINC001199689557 875129865 /nfs/dbraw/zinc/12/98/65/875129865.db2.gz XENYEMDEEAVZRD-ZDUSSCGKSA-N 1 0 376.323 3.998 20 30 GHEDRO C#CC[C@H](NC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccccc1 ZINC000771271732 875155369 /nfs/dbraw/zinc/15/53/69/875155369.db2.gz GSOVSHIFOBVJPE-QFIPXVFZSA-N 1 0 376.504 3.715 20 30 GHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465189457 875274078 /nfs/dbraw/zinc/27/40/78/875274078.db2.gz VUXFGMDUTGMWAX-QZTJIDSGSA-N 1 0 393.487 3.685 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000771512846 875305957 /nfs/dbraw/zinc/30/59/57/875305957.db2.gz GDAZBKNKVYILMA-RUDMXATFSA-N 1 0 385.851 3.896 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000776095850 875333968 /nfs/dbraw/zinc/33/39/68/875333968.db2.gz NEOAEVGEESPESS-UHFFFAOYSA-N 1 0 377.488 3.732 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](CCCO)C2)cc1OC ZINC000449793427 875425758 /nfs/dbraw/zinc/42/57/58/875425758.db2.gz WUWOQOBHOMHSLQ-AWEZNQCLSA-N 1 0 384.314 3.617 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001201030639 875476996 /nfs/dbraw/zinc/47/69/96/875476996.db2.gz IZPIMSAKXTVGND-UHFFFAOYSA-N 1 0 379.464 3.695 20 30 GHEDRO N#Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1Br ZINC000449870687 875549693 /nfs/dbraw/zinc/54/96/93/875549693.db2.gz NFLJGPCUOZELCQ-KRWDZBQOSA-N 1 0 398.304 3.715 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H](SC)C2)cc1 ZINC000134611591 882955937 /nfs/dbraw/zinc/95/59/37/882955937.db2.gz JBQFMGOLIMWWKF-IBGZPJMESA-N 1 0 375.538 3.549 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 ZINC000858228597 882959367 /nfs/dbraw/zinc/95/93/67/882959367.db2.gz WJHKINGAIJBCNN-LPHOPBHVSA-N 1 0 385.508 3.999 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 ZINC000858228599 882959532 /nfs/dbraw/zinc/95/95/32/882959532.db2.gz WJHKINGAIJBCNN-VQIMIIECSA-N 1 0 385.508 3.999 20 30 GHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccccc2C#Cc2ccccc2)C[C@H](C)O1 ZINC001201564313 875754396 /nfs/dbraw/zinc/75/43/96/875754396.db2.gz KXGIDDIKSBNALH-BGYRXZFFSA-N 1 0 391.515 3.707 20 30 GHEDRO COCc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC000529209602 875832375 /nfs/dbraw/zinc/83/23/75/875832375.db2.gz IFLKIPDPPPZRLY-VGOFRKELSA-N 1 0 392.503 3.879 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000529212376 875839382 /nfs/dbraw/zinc/83/93/82/875839382.db2.gz IZDVWCYBLZCLJD-QRWLVFNGSA-N 1 0 398.532 3.971 20 30 GHEDRO CCCCCCC[N@@H+]1CCc2cc(C(=O)OC)c(-c3cnn(C)c3)nc2CC1 ZINC001201762830 875847172 /nfs/dbraw/zinc/84/71/72/875847172.db2.gz XHQSBNBMTBCWBL-UHFFFAOYSA-N 1 0 384.524 3.640 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001201798234 875864501 /nfs/dbraw/zinc/86/45/01/875864501.db2.gz RVJDNRQKJIWSIA-GOSISDBHSA-N 1 0 392.540 3.877 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCCn2c(CN3CCCC3=O)nnc2C1 ZINC001201874893 875918900 /nfs/dbraw/zinc/91/89/00/875918900.db2.gz KPKXRZWOBKHCNO-UHFFFAOYSA-N 1 0 375.561 3.747 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000450107416 875971751 /nfs/dbraw/zinc/97/17/51/875971751.db2.gz QVKJEJPWVGIOPH-RHSMWYFYSA-N 1 0 398.304 3.714 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)CC1 ZINC000491837356 875981548 /nfs/dbraw/zinc/98/15/48/875981548.db2.gz KTJNKLOPOBRAPN-IBGZPJMESA-N 1 0 377.504 3.569 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccc(CC)cc1 ZINC001202356617 876158845 /nfs/dbraw/zinc/15/88/45/876158845.db2.gz GSHAOMMPPJSEGW-IBGZPJMESA-N 1 0 388.305 3.847 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271950196 876200996 /nfs/dbraw/zinc/20/09/96/876200996.db2.gz QXKKUSQSSHMDBT-HUUCEWRRSA-N 1 0 381.451 3.767 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000108443935 876470736 /nfs/dbraw/zinc/47/07/36/876470736.db2.gz OPYTXOBTNYMFFR-UHFFFAOYSA-N 1 0 384.568 3.763 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000108519014 876483165 /nfs/dbraw/zinc/48/31/65/876483165.db2.gz BSPIRMHEFIRBFD-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492272909 876568023 /nfs/dbraw/zinc/56/80/23/876568023.db2.gz RXBMXLDCDWQHIP-APWZRJJASA-N 1 0 378.476 3.599 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(c3ccccc3OCC)CC2)c1O ZINC000007314716 876723642 /nfs/dbraw/zinc/72/36/42/876723642.db2.gz SMUZTMTVGADAID-UHFFFAOYSA-N 1 0 382.504 3.850 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)nc1 ZINC000786580833 876768512 /nfs/dbraw/zinc/76/85/12/876768512.db2.gz GDFJPMJHXPSHKM-LJQANCHMSA-N 1 0 386.293 3.973 20 30 GHEDRO CC(C)(C)CCC1(O)CC(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000450676232 876779931 /nfs/dbraw/zinc/77/99/31/876779931.db2.gz WWGYUBZLHIHZSA-UHFFFAOYSA-N 1 0 397.563 3.628 20 30 GHEDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C2)cc1 ZINC000850347893 876840531 /nfs/dbraw/zinc/84/05/31/876840531.db2.gz ZYMIZADEWNZZRL-MRXNPFEDSA-N 1 0 375.394 3.954 20 30 GHEDRO C=CCC1([NH2+]Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CCOCC1 ZINC000850370051 876857881 /nfs/dbraw/zinc/85/78/81/876857881.db2.gz ZDQXTBGFXPBKJN-UHFFFAOYSA-N 1 0 393.553 3.651 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 ZINC000850415139 876896095 /nfs/dbraw/zinc/89/60/95/876896095.db2.gz OOSAMQAGTITDDC-DHIUTWEWSA-N 1 0 390.531 3.867 20 30 GHEDRO CCOC(=O)NC1CCC([NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)CC1 ZINC000850444149 876927304 /nfs/dbraw/zinc/92/73/04/876927304.db2.gz VKLUVUYAXPKFGI-ABHNRTSZSA-N 1 0 389.496 3.523 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1ccc(C#N)cc1 ZINC000850488101 876963744 /nfs/dbraw/zinc/96/37/44/876963744.db2.gz LCNWZWKWEDGKHS-KRWDZBQOSA-N 1 0 375.472 3.545 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1C ZINC000786876856 876998428 /nfs/dbraw/zinc/99/84/28/876998428.db2.gz AIPHWZPEPKKWSL-OAQYLSRUSA-N 1 0 397.519 3.500 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000262687451 877015984 /nfs/dbraw/zinc/01/59/84/877015984.db2.gz AYWALILMKGWUOG-BONVTDFDSA-N 1 0 379.810 3.559 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)CC1 ZINC000109580931 877219971 /nfs/dbraw/zinc/21/99/71/877219971.db2.gz URGMJNYXPKQQBC-UHFFFAOYSA-N 1 0 397.482 3.947 20 30 GHEDRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH+]2CCC(C#N)CC2)c2ccccc2)cc1 ZINC000174836312 877278786 /nfs/dbraw/zinc/27/87/86/877278786.db2.gz PZDAVTYFYRFYPH-JOCHJYFZSA-N 1 0 397.544 3.640 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000610010169 877292889 /nfs/dbraw/zinc/29/28/89/877292889.db2.gz AYIWLDUQITVZTD-UHFFFAOYSA-N 1 0 384.479 3.757 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)ccc1NC)[C@H](C)Cc1ccc(O)cc1 ZINC001183050000 912219570 /nfs/dbraw/zinc/21/95/70/912219570.db2.gz JORJJXJQWKWXFT-QGZVFWFLSA-N 1 0 394.519 3.977 20 30 GHEDRO CC[N@H+](CCCC(=O)N(CC#N)Cc1ccccc1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051417 912221426 /nfs/dbraw/zinc/22/14/26/912221426.db2.gz RPCCDOYBPQJVGX-FQEVSTJZSA-N 1 0 393.531 3.978 20 30 GHEDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000787327912 877348989 /nfs/dbraw/zinc/34/89/89/877348989.db2.gz PIPMOWVOKNKIMV-BBRMVZONSA-N 1 0 388.393 3.886 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccccc3O)sc2C1 ZINC000109772648 877428725 /nfs/dbraw/zinc/42/87/25/877428725.db2.gz FVCNMYGJXCXQEB-AWEZNQCLSA-N 1 0 383.517 3.911 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001183076097 912235010 /nfs/dbraw/zinc/23/50/10/912235010.db2.gz QOVQAYKIDGLIIF-UHFFFAOYSA-N 1 0 399.535 3.613 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1[C@H]1Cc3ccccc3CN1CC2 ZINC001183075945 912235069 /nfs/dbraw/zinc/23/50/69/912235069.db2.gz KAGKDGFDHYKPLH-HSZRJFAPSA-N 1 0 387.527 3.933 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@@H]1C ZINC000610133542 877449847 /nfs/dbraw/zinc/44/98/47/877449847.db2.gz ILBANGVYTWLHTR-OXJNMPFZSA-N 1 0 399.583 3.835 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000615238719 877495999 /nfs/dbraw/zinc/49/59/99/877495999.db2.gz PNJDFPDTHGLIHO-UHFFFAOYSA-N 1 0 399.535 3.583 20 30 GHEDRO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451188212 877547902 /nfs/dbraw/zinc/54/79/02/877547902.db2.gz HLBUFUXMIVALQF-JKSUJKDBSA-N 1 0 393.272 3.599 20 30 GHEDRO CCCc1c(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)cnn1-c1cccc(C#N)c1 ZINC000615269546 877574762 /nfs/dbraw/zinc/57/47/62/877574762.db2.gz RGWYALMNGTXTNB-MRXNPFEDSA-N 1 0 394.523 3.548 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OC(F)(F)F)c1 ZINC000477464670 877672608 /nfs/dbraw/zinc/67/26/08/877672608.db2.gz QXDNEXMKWKFSKU-UHFFFAOYSA-N 1 0 391.393 3.661 20 30 GHEDRO CCc1c(C(=O)C(C(=S)NC(C)C)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O ZINC000067952242 877696792 /nfs/dbraw/zinc/69/67/92/877696792.db2.gz KZTLEDAEOXFRFC-UHFFFAOYSA-O 1 0 386.541 3.621 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2nnc(-c3ccccn3)s2)ccc1O ZINC000788027257 877788279 /nfs/dbraw/zinc/78/82/79/877788279.db2.gz JMODYNUHGIVLOH-UHFFFAOYSA-N 1 0 396.520 3.984 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000237700471 877815752 /nfs/dbraw/zinc/81/57/52/877815752.db2.gz YTHDONSJOJGYLH-YOEHRIQHSA-N 1 0 394.393 3.526 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000788076317 877824112 /nfs/dbraw/zinc/82/41/12/877824112.db2.gz MKUPAIDLZPKLED-QGZVFWFLSA-N 1 0 390.325 3.724 20 30 GHEDRO C=C(C)CS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000477597574 877911870 /nfs/dbraw/zinc/91/18/70/877911870.db2.gz DSQBUKDTPJHUJV-WBVHZDCISA-N 1 0 390.471 3.584 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1C#N ZINC000152381797 877928167 /nfs/dbraw/zinc/92/81/67/877928167.db2.gz STSJVTNJNJHOAS-HSZRJFAPSA-N 1 0 388.467 3.969 20 30 GHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175844775 877935770 /nfs/dbraw/zinc/93/57/70/877935770.db2.gz NWTZHPIZVTVXGT-UHFFFAOYSA-N 1 0 393.453 3.763 20 30 GHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1OC ZINC000179742608 877959033 /nfs/dbraw/zinc/95/90/33/877959033.db2.gz YGZVWEZHIUQMMB-GOSISDBHSA-N 1 0 390.524 3.997 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000237759846 877975555 /nfs/dbraw/zinc/97/55/55/877975555.db2.gz HMTUBLBQBMBVCX-UHFFFAOYSA-N 1 0 377.366 3.515 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000237783288 878019405 /nfs/dbraw/zinc/01/94/05/878019405.db2.gz WCKQTJZZXNLRDI-HSZRJFAPSA-N 1 0 397.494 3.671 20 30 GHEDRO N#Cc1ccc(CC[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)cc1 ZINC000851992597 878020375 /nfs/dbraw/zinc/02/03/75/878020375.db2.gz AQWMDRAPVSCCAR-UHFFFAOYSA-N 1 0 377.488 3.739 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=S)NN=C2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000788427332 878053103 /nfs/dbraw/zinc/05/31/03/878053103.db2.gz JLGPUYXBZGPDSW-OAHLLOKOSA-N 1 0 378.542 3.631 20 30 GHEDRO CCO[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1C ZINC000451539785 878100122 /nfs/dbraw/zinc/10/01/22/878100122.db2.gz KJSUUVMCNNRLDJ-JFIYKMOQSA-N 1 0 375.538 3.766 20 30 GHEDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451542386 878107844 /nfs/dbraw/zinc/10/78/44/878107844.db2.gz JPHRSZBTROCBSS-YOEHRIQHSA-N 1 0 375.538 3.574 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000245575254 878133467 /nfs/dbraw/zinc/13/34/67/878133467.db2.gz HPOZVEYAUGPUNC-ONTIZHBOSA-N 1 0 393.535 3.718 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000176281572 878183116 /nfs/dbraw/zinc/18/31/16/878183116.db2.gz WFZXQQMHOVHLQJ-SFHVURJKSA-N 1 0 390.959 3.559 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460578676 878218263 /nfs/dbraw/zinc/21/82/63/878218263.db2.gz TUJVPSDQRNSSJJ-SFHVURJKSA-N 1 0 385.943 3.771 20 30 GHEDRO Cc1ccc2c(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)coc2c1 ZINC000068309880 878287554 /nfs/dbraw/zinc/28/75/54/878287554.db2.gz JKDNFRABFWGZSX-UHFFFAOYSA-N 1 0 375.472 3.746 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000537775791 878313041 /nfs/dbraw/zinc/31/30/41/878313041.db2.gz REWHVPYVZLBVST-GGAORHGYSA-N 1 0 378.472 3.565 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451726053 878357341 /nfs/dbraw/zinc/35/73/41/878357341.db2.gz QPCHAVRELKXVGK-MRXNPFEDSA-N 1 0 388.581 3.633 20 30 GHEDRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CC2(C#N)CC2)cc1 ZINC000852491294 878375351 /nfs/dbraw/zinc/37/53/51/878375351.db2.gz ZXMJTGUPMFYYOF-OALUTQOASA-N 1 0 385.508 3.682 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000530735324 878431531 /nfs/dbraw/zinc/43/15/31/878431531.db2.gz BUCASZIDEOTDEA-SUWCGCSTSA-N 1 0 377.488 3.865 20 30 GHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000180067274 878461272 /nfs/dbraw/zinc/46/12/72/878461272.db2.gz FSHFJWLYNDLOQZ-SFTDATJTSA-N 1 0 376.460 3.666 20 30 GHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000530814110 878543298 /nfs/dbraw/zinc/54/32/98/878543298.db2.gz SFISCZMMHBEPPX-UHFFFAOYSA-N 1 0 383.536 3.578 20 30 GHEDRO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H]1CCc2ccccc21 ZINC000852724629 878548336 /nfs/dbraw/zinc/54/83/36/878548336.db2.gz IXFZQVMXTOHAPO-PXNSSMCTSA-N 1 0 382.467 3.885 20 30 GHEDRO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H]1CCc2ccccc21 ZINC000852724631 878549115 /nfs/dbraw/zinc/54/91/15/878549115.db2.gz IXFZQVMXTOHAPO-YLJYHZDGSA-N 1 0 382.467 3.885 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC000852827981 878624692 /nfs/dbraw/zinc/62/46/92/878624692.db2.gz RRRWEPXNMRYNGU-UHFFFAOYSA-N 1 0 394.496 3.551 20 30 GHEDRO COc1cccc([C@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000852846857 878633585 /nfs/dbraw/zinc/63/35/85/878633585.db2.gz YROUYSNAZCRFOQ-QFIPXVFZSA-N 1 0 382.891 3.557 20 30 GHEDRO O=C(C#CC1CC[NH2+]CC1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000852910115 878655160 /nfs/dbraw/zinc/65/51/60/878655160.db2.gz ASZVTTZDWHMDKO-OAQYLSRUSA-N 1 0 384.932 3.879 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452076672 878908607 /nfs/dbraw/zinc/90/86/07/878908607.db2.gz ZDZMNPIQQIDTBA-HHXXYDBFSA-N 1 0 388.556 3.756 20 30 GHEDRO N#Cc1ccccc1C1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001183294781 912402432 /nfs/dbraw/zinc/40/24/32/912402432.db2.gz GECGXYUETDXREE-UHFFFAOYSA-N 1 0 375.472 3.703 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cnc1C#N ZINC000853394662 879000137 /nfs/dbraw/zinc/00/01/37/879000137.db2.gz WFMDYABJSZKBEL-INIZCTEOSA-N 1 0 385.309 3.674 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000180556463 879030098 /nfs/dbraw/zinc/03/00/98/879030098.db2.gz GNKSWYWEFHJWCE-KRWDZBQOSA-N 1 0 376.460 3.752 20 30 GHEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCC[C@H](CC#N)C2)c1=S ZINC000853525460 879085146 /nfs/dbraw/zinc/08/51/46/879085146.db2.gz FQLJYGRXWLNTPB-IAGOWNOFSA-N 1 0 378.590 3.810 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000538235259 879095510 /nfs/dbraw/zinc/09/55/10/879095510.db2.gz IUPIKWNIUCPKHK-PGRDOPGGSA-N 1 0 377.488 3.691 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)cc1 ZINC000111410047 879126016 /nfs/dbraw/zinc/12/60/16/879126016.db2.gz YDCGRLDLYLIQMB-GOSISDBHSA-N 1 0 380.488 3.963 20 30 GHEDRO CCOC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(C)C ZINC001170117901 879260042 /nfs/dbraw/zinc/26/00/42/879260042.db2.gz MZAMOCVCLZEJSY-HXUWFJFHSA-N 1 0 382.508 3.555 20 30 GHEDRO COc1cccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1OC ZINC000538390115 879402855 /nfs/dbraw/zinc/40/28/55/879402855.db2.gz NQWQWKUYCMGEQM-UHFFFAOYSA-N 1 0 390.487 3.813 20 30 GHEDRO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452452596 879465333 /nfs/dbraw/zinc/46/53/33/879465333.db2.gz OQGZPTKVXZCKNU-NRFANRHFSA-N 1 0 376.504 3.649 20 30 GHEDRO CC(C)[N@@H+]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000069083422 879515209 /nfs/dbraw/zinc/51/52/09/879515209.db2.gz DXEVLINQEJWZDJ-UHFFFAOYSA-N 1 0 388.581 3.633 20 30 GHEDRO C=C(C)COCC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000494011469 879823296 /nfs/dbraw/zinc/82/32/96/879823296.db2.gz JKWGGTWRVSEZNR-FQEVSTJZSA-N 1 0 377.481 3.501 20 30 GHEDRO N#CCc1ccccc1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000776748187 879886078 /nfs/dbraw/zinc/88/60/78/879886078.db2.gz YWWWJSUKRLYHDX-OAQYLSRUSA-N 1 0 381.907 3.902 20 30 GHEDRO CC(C)[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1CCCCC1 ZINC000609163381 879926759 /nfs/dbraw/zinc/92/67/59/879926759.db2.gz JQQWFDGOLFEKMV-QGZVFWFLSA-N 1 0 383.414 3.948 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCC1 ZINC000452730114 879930323 /nfs/dbraw/zinc/93/03/23/879930323.db2.gz LTFOCZSHGSTKBJ-UHFFFAOYSA-N 1 0 391.490 3.900 20 30 GHEDRO C[C@@H](O)C[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCCCC1 ZINC000247195787 879941112 /nfs/dbraw/zinc/94/11/12/879941112.db2.gz QODMBBGSUUGTMF-IAGOWNOFSA-N 1 0 389.565 3.892 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[NH+]2CCCCC2)cc1C ZINC000494138891 879943105 /nfs/dbraw/zinc/94/31/05/879943105.db2.gz PGBVUACJCCWKQJ-UHFFFAOYSA-N 1 0 393.535 3.686 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc(-c4ccccc4)[nH]3)C2)c(F)c1 ZINC000531490151 879958133 /nfs/dbraw/zinc/95/81/33/879958133.db2.gz FFKODGGGJJNEAP-SFHVURJKSA-N 1 0 375.451 3.846 20 30 GHEDRO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000112919219 880209645 /nfs/dbraw/zinc/20/96/45/880209645.db2.gz WXXAWJMNTYEJKV-UHFFFAOYSA-N 1 0 390.531 3.914 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2sccc2c(O)c1 ZINC000791325567 880332928 /nfs/dbraw/zinc/33/29/28/880332928.db2.gz GSPWLVUZNUFWLS-UHFFFAOYSA-N 1 0 379.485 3.683 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531715851 880348083 /nfs/dbraw/zinc/34/80/83/880348083.db2.gz NJUFCKCSCORCJT-HNAYVOBHSA-N 1 0 398.457 3.812 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)c1ccccc1 ZINC000855308008 880428100 /nfs/dbraw/zinc/42/81/00/880428100.db2.gz UEWJEVBSIYRJLJ-JTHBVZDNSA-N 1 0 376.504 3.548 20 30 GHEDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000286111752 912573967 /nfs/dbraw/zinc/57/39/67/912573967.db2.gz UKGLCFXQQUKJQA-SGNDLWITSA-N 1 0 398.510 3.963 20 30 GHEDRO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1Br)CC2 ZINC001275200448 912596962 /nfs/dbraw/zinc/59/69/62/912596962.db2.gz YOEZZROFJBRXMZ-MRXNPFEDSA-N 1 0 377.326 3.744 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453413958 880879595 /nfs/dbraw/zinc/87/95/95/880879595.db2.gz MQNIUKZYXCXFMP-SESVDKBCSA-N 1 0 395.551 3.977 20 30 GHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453425442 880924253 /nfs/dbraw/zinc/92/42/53/880924253.db2.gz MQNIUKZYXCXFMP-NRSPTQNISA-N 1 0 395.551 3.977 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453454620 880945575 /nfs/dbraw/zinc/94/55/75/880945575.db2.gz QKJQCRVZWHIUCF-QYZOEREBSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000453462222 880963537 /nfs/dbraw/zinc/96/35/37/880963537.db2.gz HCFSEQUNNRKGIJ-AQNXPRMDSA-N 1 0 387.572 3.797 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000453463807 880965024 /nfs/dbraw/zinc/96/50/24/880965024.db2.gz JSGVWYFPVGBIQJ-ZULIPRJHSA-N 1 0 385.556 3.547 20 30 GHEDRO C=C(C)Cn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1[C@]1(C)CCCO1 ZINC000453472509 880987126 /nfs/dbraw/zinc/98/71/26/880987126.db2.gz XVFREUZTHMZHJF-REWPJTCUSA-N 1 0 395.551 3.591 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000114038149 881060247 /nfs/dbraw/zinc/06/02/47/881060247.db2.gz ZBFMSNZAASIWGJ-IBGZPJMESA-N 1 0 386.540 3.631 20 30 GHEDRO C=CCc1cc(OCC)cc(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1O ZINC000919938496 881211091 /nfs/dbraw/zinc/21/10/91/881211091.db2.gz HXDDARPRSCWRQY-IBGZPJMESA-N 1 0 399.487 3.586 20 30 GHEDRO N#Cc1ccc(NCC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000609462708 883224616 /nfs/dbraw/zinc/22/46/16/883224616.db2.gz DAADTROHCTTZLN-OAQYLSRUSA-N 1 0 396.922 3.794 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=O)C(C)(C)c3ccc(C#N)cc3)CC2)c1 ZINC000858652819 883257913 /nfs/dbraw/zinc/25/79/13/883257913.db2.gz BEIKBQQIBAIZJV-UHFFFAOYSA-N 1 0 391.515 3.625 20 30 GHEDRO C[C@H](C(=O)NCc1ccc(C#N)cc1F)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000609518510 883292943 /nfs/dbraw/zinc/29/29/43/883292943.db2.gz DNGSHKLLNKKASD-QGZVFWFLSA-N 1 0 379.479 3.657 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)c1cccc(F)c1 ZINC000609514206 883312973 /nfs/dbraw/zinc/31/29/73/883312973.db2.gz JSJWXZFPMFWTAA-NRFANRHFSA-N 1 0 383.467 3.666 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609639950 883466039 /nfs/dbraw/zinc/46/60/39/883466039.db2.gz IHRSBHLVZJHEBG-JOCHJYFZSA-N 1 0 376.504 3.927 20 30 GHEDRO Cc1ccc(-c2noc([C@@H](C)NCCC(=O)Nc3cccc(C#N)c3)n2)cc1F ZINC000542622434 883525477 /nfs/dbraw/zinc/52/54/77/883525477.db2.gz LEPPUAXWRQVXCO-CQSZACIVSA-N 1 0 393.422 3.735 20 30 GHEDRO N#CCCN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000609732826 883614601 /nfs/dbraw/zinc/61/46/01/883614601.db2.gz KCFOBUCDXSOERG-UHFFFAOYSA-N 1 0 394.494 3.675 20 30 GHEDRO Cc1ccc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cc1C#N ZINC000859197693 883653761 /nfs/dbraw/zinc/65/37/61/883653761.db2.gz OQWIHUKBRBBBEI-UHFFFAOYSA-N 1 0 387.524 3.763 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000859322259 883740903 /nfs/dbraw/zinc/74/09/03/883740903.db2.gz NGRMXTPHTLKKIE-HXUWFJFHSA-N 1 0 387.483 3.726 20 30 GHEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1 ZINC000777117502 883998954 /nfs/dbraw/zinc/99/89/54/883998954.db2.gz ZXFKWZVHQREBHH-FDDCHVKYSA-N 1 0 396.579 3.974 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+](C)C)c1 ZINC000193056225 884030057 /nfs/dbraw/zinc/03/00/57/884030057.db2.gz FECWAVVYRWODDB-HXUWFJFHSA-N 1 0 380.492 3.921 20 30 GHEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000805785324 884068955 /nfs/dbraw/zinc/06/89/55/884068955.db2.gz CWHVQHIFSLHMRQ-QHCPKHFHSA-N 1 0 381.564 3.919 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](O)C(F)(F)F ZINC000498358375 884142225 /nfs/dbraw/zinc/14/22/25/884142225.db2.gz CCGMZIJPUKTSDF-OALUTQOASA-N 1 0 378.394 3.929 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000897616748 884170602 /nfs/dbraw/zinc/17/06/02/884170602.db2.gz XWORRIYXYYBLQN-ZFWWWQNUSA-N 1 0 376.382 3.776 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000080158534 884192815 /nfs/dbraw/zinc/19/28/15/884192815.db2.gz KBJZVCMYWLUHHD-NPPFBWRTSA-N 1 0 376.504 3.972 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)CC1 ZINC000761772418 884230496 /nfs/dbraw/zinc/23/04/96/884230496.db2.gz KMUULRPZGIWZFP-UHFFFAOYSA-N 1 0 389.471 3.965 20 30 GHEDRO CC(C)OCC[NH+]1CCC(Nc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000476204839 884248478 /nfs/dbraw/zinc/24/84/78/884248478.db2.gz RUHILLHMDCFEEX-UHFFFAOYSA-N 1 0 390.890 3.622 20 30 GHEDRO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)OC(C)(C)C)C2)cc1C#N ZINC000860038062 884280501 /nfs/dbraw/zinc/28/05/01/884280501.db2.gz NBIDRSXIYDCFHF-LEAZDLGRSA-N 1 0 397.519 3.644 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000487815211 884295943 /nfs/dbraw/zinc/29/59/43/884295943.db2.gz HHBLTPAVKHSSDK-OLZOCXBDSA-N 1 0 379.302 3.563 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1C)CC2 ZINC001275247891 912820566 /nfs/dbraw/zinc/82/05/66/912820566.db2.gz JBMVWQRGRDZOBV-KRWDZBQOSA-N 1 0 377.326 3.662 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495070959 884481810 /nfs/dbraw/zinc/48/18/10/884481810.db2.gz WVJJGFNOEDBFDL-XMSQKQJNSA-N 1 0 387.545 3.516 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000898161842 884622143 /nfs/dbraw/zinc/62/21/43/884622143.db2.gz IYNSROUXGMZBSY-PBPGXSGUSA-N 1 0 396.453 3.700 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000806438368 884703108 /nfs/dbraw/zinc/70/31/08/884703108.db2.gz BNEVWZYGNFQEAA-XMMPIXPASA-N 1 0 389.499 3.829 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1C ZINC000498551631 884810545 /nfs/dbraw/zinc/81/05/45/884810545.db2.gz XWQQERWRHPPINN-ZWKOTPCHSA-N 1 0 377.488 3.692 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000106040105 884936041 /nfs/dbraw/zinc/93/60/41/884936041.db2.gz MVLLQXRHJBVKTB-UHFFFAOYSA-N 1 0 378.516 3.949 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130709699 885032790 /nfs/dbraw/zinc/03/27/90/885032790.db2.gz ZYDNXXXVBHVNJU-IBGZPJMESA-N 1 0 388.512 3.660 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000460378681 885161125 /nfs/dbraw/zinc/16/11/25/885161125.db2.gz ZDFPHMQBKGEBNR-SJLPKXTDSA-N 1 0 385.943 3.771 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460390583 885274652 /nfs/dbraw/zinc/27/46/52/885274652.db2.gz SNSJYQMHASFKKF-ZWKOTPCHSA-N 1 0 390.535 3.988 20 30 GHEDRO C#CCC(CC#C)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000807187899 885282188 /nfs/dbraw/zinc/28/21/88/885282188.db2.gz HDUKCGRMMMCKEM-UHFFFAOYSA-N 1 0 399.538 3.653 20 30 GHEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000556563289 885466712 /nfs/dbraw/zinc/46/67/12/885466712.db2.gz SKUZLNKSMJIPKQ-SFHVURJKSA-N 1 0 394.475 3.917 20 30 GHEDRO C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)C[NH+]1CCCCC1 ZINC000498728004 885529565 /nfs/dbraw/zinc/52/95/65/885529565.db2.gz IBHUDDKVJANYEJ-LJQANCHMSA-N 1 0 391.515 3.989 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)/C=C\c2cc3ccccc3nc2OCCC)CC1 ZINC000747405201 885542517 /nfs/dbraw/zinc/54/25/17/885542517.db2.gz WZBGXUUBJWGAOP-KHPPLWFESA-N 1 0 391.515 3.641 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)CC1 ZINC000861498329 885578849 /nfs/dbraw/zinc/57/88/49/885578849.db2.gz KFLAYQFHEDFATC-UHFFFAOYSA-N 1 0 388.512 3.830 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1ccccc1C#N ZINC000498748518 885579561 /nfs/dbraw/zinc/57/95/61/885579561.db2.gz VNNDANAVLFLEQI-UHFFFAOYSA-N 1 0 397.548 3.535 20 30 GHEDRO CC[NH+](CC)CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000067575566 885579586 /nfs/dbraw/zinc/57/95/86/885579586.db2.gz CJNBIPOWFPNUMP-UHFFFAOYSA-N 1 0 384.455 3.740 20 30 GHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccco1 ZINC000807680904 885631657 /nfs/dbraw/zinc/63/16/57/885631657.db2.gz XPHKKPVGWSDOCC-PBHICJAKSA-N 1 0 380.448 3.703 20 30 GHEDRO N#Cc1ccc(C2(C(=O)Nc3cccc(C[N@H+]4CC[C@H](O)C4)c3)CCCC2)cc1 ZINC000861789328 885861538 /nfs/dbraw/zinc/86/15/38/885861538.db2.gz QULYHCVNDQRXNK-QFIPXVFZSA-N 1 0 389.499 3.575 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1O2 ZINC000194947518 885896298 /nfs/dbraw/zinc/89/62/98/885896298.db2.gz PYJVBHHYFMXFHK-OAQYLSRUSA-N 1 0 389.499 3.595 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858510 885958310 /nfs/dbraw/zinc/95/83/10/885958310.db2.gz VBRBSYZHXTWNDS-FYYLOGMGSA-N 1 0 386.580 3.599 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000762302919 885967958 /nfs/dbraw/zinc/96/79/58/885967958.db2.gz KVKDOOGIXTZNFZ-FCHUYYIVSA-N 1 0 377.488 3.541 20 30 GHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000808296511 886228822 /nfs/dbraw/zinc/22/88/22/886228822.db2.gz LHKNRDNRXKRRLH-WQLSENKSSA-N 1 0 393.487 3.938 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC000762478677 886269246 /nfs/dbraw/zinc/26/92/46/886269246.db2.gz CVUANBZONAUPMX-WMZOPIPTSA-N 1 0 390.524 3.995 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000556855236 886366898 /nfs/dbraw/zinc/36/68/98/886366898.db2.gz FREAPGGEXQDREX-NRFANRHFSA-N 1 0 382.479 3.929 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000119053159 886393834 /nfs/dbraw/zinc/39/38/34/886393834.db2.gz CONWLHUIWGZEPG-IBGZPJMESA-N 1 0 377.916 3.543 20 30 GHEDRO C[C@@H](C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)NC(=O)OC(C)(C)C ZINC000862541630 886453679 /nfs/dbraw/zinc/45/36/79/886453679.db2.gz YCAIXHKXWMJHIC-KRWDZBQOSA-N 1 0 397.523 3.809 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H]1[NH+](C)C ZINC000495711185 886500833 /nfs/dbraw/zinc/50/08/33/886500833.db2.gz DCAKUKOVPQBHSU-QUCCMNQESA-N 1 0 399.491 3.607 20 30 GHEDRO CCN(CC)c1ccnc(N=NC(C)c2ccc(O)c(C[NH+]3CCCCC3)c2)n1 ZINC000762607930 886528427 /nfs/dbraw/zinc/52/84/27/886528427.db2.gz MMJBSOKQSSEREE-UHFFFAOYSA-N 1 0 396.539 3.850 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 ZINC000487983480 886801915 /nfs/dbraw/zinc/80/19/15/886801915.db2.gz LECCFVDXJLORJB-QGZVFWFLSA-N 1 0 387.281 3.745 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cccc(C#N)c1 ZINC000808827513 886830355 /nfs/dbraw/zinc/83/03/55/886830355.db2.gz QQRXWHQTUPDWHU-UHFFFAOYSA-N 1 0 379.460 3.618 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666660980 886958849 /nfs/dbraw/zinc/95/88/49/886958849.db2.gz YRAQYTMTONNBBN-HXUWFJFHSA-N 1 0 387.572 3.959 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1O2 ZINC000193607948 886976096 /nfs/dbraw/zinc/97/60/96/886976096.db2.gz SKQQIJRSPAUSTD-LJQANCHMSA-N 1 0 376.460 3.668 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+]CC2(C#N)CCOCC2)C1 ZINC001184276277 913127604 /nfs/dbraw/zinc/12/76/04/913127604.db2.gz GKHKZTIJVFFOKB-UXHICEINSA-N 1 0 399.535 3.690 20 30 GHEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670220346 887293506 /nfs/dbraw/zinc/29/35/06/887293506.db2.gz UIXHSGOCZFTZIW-HXUWFJFHSA-N 1 0 395.551 3.806 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(F)cc3F)CC2)cc1 ZINC000153295792 887495828 /nfs/dbraw/zinc/49/58/28/887495828.db2.gz WAFGCGKTXRLNSK-UHFFFAOYSA-N 1 0 383.442 3.504 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)NCCCCC[NH+]3CCCC3)s2)cc1 ZINC000454246004 887568313 /nfs/dbraw/zinc/56/83/13/887568313.db2.gz JCMNQCMDTFXHKX-UHFFFAOYSA-N 1 0 397.548 3.993 20 30 GHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670229757 887698839 /nfs/dbraw/zinc/69/88/39/887698839.db2.gz QFXMPXNUIHZJCY-HXUWFJFHSA-N 1 0 388.519 3.627 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCc3ccccc3C2)cc1OCCCC#N ZINC000119993337 887703248 /nfs/dbraw/zinc/70/32/48/887703248.db2.gz RNDSWERJQJVWCU-LJQANCHMSA-N 1 0 393.531 3.914 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)s2)cc1 ZINC000532682261 887720534 /nfs/dbraw/zinc/72/05/34/887720534.db2.gz ADIJOHDFFIFZDQ-LJQANCHMSA-N 1 0 380.517 3.951 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccccc1 ZINC000794692473 887845215 /nfs/dbraw/zinc/84/52/15/887845215.db2.gz XJNYBTLPHMDDNF-RPBOFIJWSA-N 1 0 399.494 3.998 20 30 GHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)c(C#N)c1C ZINC000810127805 888192185 /nfs/dbraw/zinc/19/21/85/888192185.db2.gz GPEQDANCPBCLJP-HNNXBMFYSA-N 1 0 394.475 3.574 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000810154674 888243491 /nfs/dbraw/zinc/24/34/91/888243491.db2.gz ZFINTLCERVGDEH-UHFFFAOYSA-N 1 0 389.499 3.664 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(S(=O)(=O)CC)s2)c(O)c1 ZINC000794831563 888246854 /nfs/dbraw/zinc/24/68/54/888246854.db2.gz BYDJTGJMZKFBAK-UNOMPAQXSA-N 1 0 380.535 3.713 20 30 GHEDRO C#CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Br)cc1C)CC2 ZINC001275308998 913226203 /nfs/dbraw/zinc/22/62/03/913226203.db2.gz RDEPNQOUKVYWNR-UHFFFAOYSA-N 1 0 389.337 3.595 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000810189347 888274678 /nfs/dbraw/zinc/27/46/78/888274678.db2.gz OWOHFWNJUHXAHE-COPLHBTASA-N 1 0 392.359 3.788 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000111897148 888402118 /nfs/dbraw/zinc/40/21/18/888402118.db2.gz DYTRUOVIWXNXHY-SCCNAQOGSA-N 1 0 396.535 3.564 20 30 GHEDRO CC(C)n1c(Sc2cc(C(F)(F)F)cc(C#N)n2)nnc1C1CC[NH2+]CC1 ZINC000865544822 888429602 /nfs/dbraw/zinc/42/96/02/888429602.db2.gz GSGMHMULXCMWBQ-UHFFFAOYSA-N 1 0 396.442 3.763 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(c4ccccc4C#N)CC3)CC2)cc1 ZINC000865695840 888519219 /nfs/dbraw/zinc/51/92/19/888519219.db2.gz QNYHVBWSWDZUEO-UHFFFAOYSA-N 1 0 399.542 3.653 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccnn2C)cc1OCC ZINC000865839226 888604457 /nfs/dbraw/zinc/60/44/57/888604457.db2.gz JWOGWKQCTKUKPK-ZDUSSCGKSA-N 1 0 394.313 3.997 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000153835133 888696159 /nfs/dbraw/zinc/69/61/59/888696159.db2.gz BYIBAIJYQAESGF-RZPVRENCSA-N 1 0 396.531 3.749 20 30 GHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nc1 ZINC000245514900 888832503 /nfs/dbraw/zinc/83/25/03/888832503.db2.gz GSYXOUQJTKEMFN-MJGOQNOKSA-N 1 0 378.476 3.532 20 30 GHEDRO C[C@@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000866443273 888880364 /nfs/dbraw/zinc/88/03/64/888880364.db2.gz IXGGOBOZIKMLSS-LJQANCHMSA-N 1 0 379.504 3.661 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)CC1 ZINC000747637356 888892138 /nfs/dbraw/zinc/89/21/38/888892138.db2.gz DRGAGPMCFSFGQE-UHFFFAOYSA-N 1 0 378.520 3.762 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CC[C@H](C2CC2)O1 ZINC000916410596 888964860 /nfs/dbraw/zinc/96/48/60/888964860.db2.gz WDPDTEJZFWMRRV-QZTJIDSGSA-N 1 0 376.570 3.542 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nn(CCC(C)C)c3ccccc23)CC1 ZINC000454469559 889091087 /nfs/dbraw/zinc/09/10/87/889091087.db2.gz VCHAIZHMNYHTFN-UHFFFAOYSA-N 1 0 397.567 3.922 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CCOC)c2cccc(C(F)(F)F)c2)CC1 ZINC000454532480 889280227 /nfs/dbraw/zinc/28/02/27/889280227.db2.gz CLXSNOICEZZGMR-SFHVURJKSA-N 1 0 399.457 3.733 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000868111793 889299398 /nfs/dbraw/zinc/29/93/98/889299398.db2.gz ANOODEFBYCEKEJ-QHCPKHFHSA-N 1 0 398.551 3.730 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)N2C3CCC2(C[NH3+])CC3)n(-c2ccc(C#N)cc2)n1 ZINC000868157510 889326921 /nfs/dbraw/zinc/32/69/21/889326921.db2.gz FOERCWCGJCINKF-UHFFFAOYSA-N 1 0 392.507 3.529 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000532920142 889333251 /nfs/dbraw/zinc/33/32/51/889333251.db2.gz LYZCWRXUDDTIBX-UXHICEINSA-N 1 0 393.535 3.552 20 30 GHEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000868210894 889354193 /nfs/dbraw/zinc/35/41/93/889354193.db2.gz RHAIZVYHDOJHGX-QAPCUYQASA-N 1 0 382.430 3.568 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1C ZINC000532988348 889472352 /nfs/dbraw/zinc/47/23/52/889472352.db2.gz KIVRGNCYZMULQP-SQNIBIBYSA-N 1 0 388.581 3.824 20 30 GHEDRO C[C@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)c1nc(C(C)(C)C)no1 ZINC000122226446 889522312 /nfs/dbraw/zinc/52/23/12/889522312.db2.gz YTSIYCDEDAHYLO-HNNXBMFYSA-N 1 0 385.512 3.751 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000063402402 889601251 /nfs/dbraw/zinc/60/12/51/889601251.db2.gz ZMDBTWAHZIKOPN-IBGZPJMESA-N 1 0 388.515 3.703 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000533080173 889709536 /nfs/dbraw/zinc/70/95/36/889709536.db2.gz QIMNAUGNAGSCKM-ZWKOTPCHSA-N 1 0 389.927 3.644 20 30 GHEDRO FC(F)(F)c1ccc(Br)c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000811646102 889840730 /nfs/dbraw/zinc/84/07/30/889840730.db2.gz KPWKZOGTXINZRC-STQMWFEESA-N 1 0 389.219 3.662 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccccc2)n1 ZINC000811723049 889922395 /nfs/dbraw/zinc/92/23/95/889922395.db2.gz WPPBYOLLVJWDIZ-UHFFFAOYSA-O 1 0 382.440 3.568 20 30 GHEDRO C#C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811809577 889992393 /nfs/dbraw/zinc/99/23/93/889992393.db2.gz ISVYFPFWXVNIDO-NRFANRHFSA-N 1 0 381.907 3.978 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000811874322 890068413 /nfs/dbraw/zinc/06/84/13/890068413.db2.gz KFASWVBCVAWSHL-UGKGYDQZSA-N 1 0 395.934 3.878 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccccc1SCC#N ZINC000869799548 890072875 /nfs/dbraw/zinc/07/28/75/890072875.db2.gz GZKLFCNZFBKEHJ-MJGOQNOKSA-N 1 0 379.529 3.800 20 30 GHEDRO CC(C)C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccc(C#N)cc1 ZINC000533254856 890104712 /nfs/dbraw/zinc/10/47/12/890104712.db2.gz CTCCBLZZSQHYED-SFHVURJKSA-N 1 0 381.442 3.817 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000533260231 890123186 /nfs/dbraw/zinc/12/31/86/890123186.db2.gz PLSFPLLVWITQFQ-INIZCTEOSA-N 1 0 377.473 3.516 20 30 GHEDRO COc1ccccc1CC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000533264189 890162300 /nfs/dbraw/zinc/16/23/00/890162300.db2.gz SUWNVANOXNUDEE-JOCHJYFZSA-N 1 0 389.499 3.627 20 30 GHEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001170651479 890179457 /nfs/dbraw/zinc/17/94/57/890179457.db2.gz WELQKIZEFDABCB-KGVIQGDOSA-N 1 0 399.498 3.949 20 30 GHEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000126426139 890528187 /nfs/dbraw/zinc/52/81/87/890528187.db2.gz AKUWRHFOQGAYBW-YLJYHZDGSA-N 1 0 382.504 3.576 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001184819946 913460830 /nfs/dbraw/zinc/46/08/30/913460830.db2.gz HUQQDWZDHMYFHW-HOTGVXAUSA-N 1 0 380.448 3.688 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000533458413 890586409 /nfs/dbraw/zinc/58/64/09/890586409.db2.gz BZBCPSKQIJYDMW-FCEUIQTBSA-N 1 0 382.552 3.836 20 30 GHEDRO CC(CCc1ccco1)=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000917026956 890760659 /nfs/dbraw/zinc/76/06/59/890760659.db2.gz XIIPMRLGNNMTHB-UHFFFAOYSA-N 1 0 384.549 3.717 20 30 GHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853722 891046461 /nfs/dbraw/zinc/04/64/61/891046461.db2.gz SUHZYNDNWVSTCB-YKSBVNFPSA-N 1 0 393.531 3.994 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000812937166 891146026 /nfs/dbraw/zinc/14/60/26/891146026.db2.gz TYYGORMMKLUDFN-AVRDEDQJSA-N 1 0 379.479 3.806 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000812937394 891146240 /nfs/dbraw/zinc/14/62/40/891146240.db2.gz ZIPXETXFQPNDLC-XMSQKQJNSA-N 1 0 379.479 3.806 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1C#N ZINC000888225810 891190721 /nfs/dbraw/zinc/19/07/21/891190721.db2.gz GZICBFLKOSWDKZ-UHFFFAOYSA-N 1 0 390.553 3.636 20 30 GHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000246477145 891271356 /nfs/dbraw/zinc/27/13/56/891271356.db2.gz QYUNYDBVVRUQMA-DYESRHJHSA-N 1 0 387.449 3.952 20 30 GHEDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCSCc1ccccc1C#N ZINC000170670786 891306587 /nfs/dbraw/zinc/30/65/87/891306587.db2.gz RTCNJHWJLIXNMQ-OAHLLOKOSA-N 1 0 398.488 3.707 20 30 GHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000287814388 913548092 /nfs/dbraw/zinc/54/80/92/913548092.db2.gz PDMUPYXYBDTJNY-NHCUHLMSSA-N 1 0 380.492 3.642 20 30 GHEDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000813195307 891357255 /nfs/dbraw/zinc/35/72/55/891357255.db2.gz QJQIDLWTBXTFSM-QHCPKHFHSA-N 1 0 388.515 3.786 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000287836263 913556399 /nfs/dbraw/zinc/55/63/99/913556399.db2.gz VXCQUQXDZMUBNI-KXBFYZLASA-N 1 0 395.532 3.696 20 30 GHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000067979095 891704110 /nfs/dbraw/zinc/70/41/10/891704110.db2.gz LOWATFLSXMYINY-OALUTQOASA-N 1 0 394.515 3.791 20 30 GHEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cnn(CCC#N)c3C)ccc21 ZINC000888626460 891704567 /nfs/dbraw/zinc/70/45/67/891704567.db2.gz XEROEFMNFWDYMI-UHFFFAOYSA-N 1 0 392.507 3.654 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(N(C)C)cc3Cl)CC2)C1=O ZINC001275370026 913588346 /nfs/dbraw/zinc/58/83/46/913588346.db2.gz IKOGRZWQOPEQNB-NRFANRHFSA-N 1 0 375.944 3.797 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000255951201 891936774 /nfs/dbraw/zinc/93/67/74/891936774.db2.gz XLKBMLHOLCKAQN-CMQXMCPJSA-N 1 0 380.488 3.692 20 30 GHEDRO NC(=[NH+]OCc1nc(C(F)(F)F)cs1)c1ccc(N2CCCCC2)cc1 ZINC000154430591 892162525 /nfs/dbraw/zinc/16/25/25/892162525.db2.gz MAJFEXACKMRLKJ-UHFFFAOYSA-N 1 0 384.427 3.989 20 30 GHEDRO O/N=C1/CCc2cc(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)ccc21 ZINC001170719175 892172556 /nfs/dbraw/zinc/17/25/56/892172556.db2.gz RHDZQKUNCQBIGT-RGXVFIRFSA-N 1 0 382.552 3.562 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000729808723 892220391 /nfs/dbraw/zinc/22/03/91/892220391.db2.gz FOVKPJFSUWODSN-KURKYZTESA-N 1 0 380.513 3.987 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192093892 892235080 /nfs/dbraw/zinc/23/50/80/892235080.db2.gz VHYDMXFNBAWVDW-NVXWUHKLSA-N 1 0 393.871 3.861 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000814176118 892328987 /nfs/dbraw/zinc/32/89/87/892328987.db2.gz MPKFSQZXXAMWHH-TZIWHRDSSA-N 1 0 398.551 3.868 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(CO)c1 ZINC000154481206 892407656 /nfs/dbraw/zinc/40/76/56/892407656.db2.gz YNGFCOSNXATFRP-INIZCTEOSA-O 1 0 397.564 3.672 20 30 GHEDRO C=CCNc1ncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000128834213 892507315 /nfs/dbraw/zinc/50/73/15/892507315.db2.gz KITFEXSWZUIKPC-AYHJJNSGSA-N 1 0 382.533 3.666 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(F)(F)F)c1 ZINC000875343802 892558137 /nfs/dbraw/zinc/55/81/37/892558137.db2.gz LZJYULHKRGPXSO-SFHVURJKSA-N 1 0 394.441 3.868 20 30 GHEDRO C=CCCOCC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272682593 892911777 /nfs/dbraw/zinc/91/17/77/892911777.db2.gz VTYVIYVJSRCASB-FQEVSTJZSA-N 1 0 377.481 3.501 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C1 ZINC000455696262 893004790 /nfs/dbraw/zinc/00/47/90/893004790.db2.gz BVNHCMHLOMKYNI-YJBOKZPZSA-N 1 0 392.931 3.665 20 30 GHEDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000814659098 893017906 /nfs/dbraw/zinc/01/79/06/893017906.db2.gz KLJZVVBFIISVSN-JOCHJYFZSA-N 1 0 378.520 3.736 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)CC[C@@H]2C1 ZINC000814676395 893056084 /nfs/dbraw/zinc/05/60/84/893056084.db2.gz LPYKBDZPGYDYTM-KDURUIRLSA-N 1 0 391.556 3.666 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)CC[C@@H]2C1 ZINC000814676094 893056544 /nfs/dbraw/zinc/05/65/44/893056544.db2.gz XMYFPIOEQONNHU-HDICACEKSA-N 1 0 394.519 3.890 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CCCSCC#N)C2)C1 ZINC000814671436 893078174 /nfs/dbraw/zinc/07/81/74/893078174.db2.gz BJJAUWKHPFEZDP-ZWKOTPCHSA-N 1 0 381.586 3.992 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)Cc1ccccc1 ZINC000533812951 893087217 /nfs/dbraw/zinc/08/72/17/893087217.db2.gz RRSGZXSYAQCSFZ-DEOSSOPVSA-N 1 0 398.510 3.776 20 30 GHEDRO N#Cc1ncc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000455749602 893200248 /nfs/dbraw/zinc/20/02/48/893200248.db2.gz GCXPKMUCSZQUNF-OAHLLOKOSA-N 1 0 375.885 3.627 20 30 GHEDRO CCOP(=O)(CCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)OCC ZINC000876511475 893213995 /nfs/dbraw/zinc/21/39/95/893213995.db2.gz JVSUPZXZQHPLMM-IBGZPJMESA-N 1 0 379.441 3.525 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000876648076 893271312 /nfs/dbraw/zinc/27/13/12/893271312.db2.gz MNPJSVFXLJSCLK-ZIAGYGMSSA-N 1 0 379.888 3.913 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000876717254 893299688 /nfs/dbraw/zinc/29/96/88/893299688.db2.gz BFERUEUWYUFFHW-HNNXBMFYSA-N 1 0 394.306 3.733 20 30 GHEDRO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137114681 893391962 /nfs/dbraw/zinc/39/19/62/893391962.db2.gz VBAKZOBDVHUHFF-UHFFFAOYSA-N 1 0 377.488 3.997 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000876994322 893424427 /nfs/dbraw/zinc/42/44/27/893424427.db2.gz FBDMXGSTUGTJRQ-KRWDZBQOSA-N 1 0 379.545 3.903 20 30 GHEDRO N#CCOc1ccc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)cc1 ZINC001137116913 893502226 /nfs/dbraw/zinc/50/22/26/893502226.db2.gz VFWRLWOHAOQCMA-GOTSBHOMSA-N 1 0 377.488 3.596 20 30 GHEDRO CC[C@H]1[N@H+](Cc2ccc(OCC#N)cc2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001137116552 893517447 /nfs/dbraw/zinc/51/74/47/893517447.db2.gz IQLJJEYTDMDSNN-GGAORHGYSA-N 1 0 381.520 3.735 20 30 GHEDRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1Br ZINC000877482655 893638993 /nfs/dbraw/zinc/63/89/93/893638993.db2.gz LPGOSPZSDBXPHP-GOSISDBHSA-N 1 0 385.261 3.884 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877496045 893645656 /nfs/dbraw/zinc/64/56/56/893645656.db2.gz KRLHEIBHOVEDQN-YOEHRIQHSA-N 1 0 379.501 3.505 20 30 GHEDRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000563364272 893666976 /nfs/dbraw/zinc/66/69/76/893666976.db2.gz ORYOHIPJKQRHLS-CQSZACIVSA-N 1 0 388.924 3.812 20 30 GHEDRO C#CCCCCCC[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000877567100 893694301 /nfs/dbraw/zinc/69/43/01/893694301.db2.gz GCBPCSFRQCXIHX-LJQANCHMSA-N 1 0 390.593 3.789 20 30 GHEDRO CC1CCC([N@H+](CCC(=O)N(C)CCC#N)Cc2ccc3c(c2)OCO3)CC1 ZINC000536740625 893706485 /nfs/dbraw/zinc/70/64/85/893706485.db2.gz DUAVINXDUZCURS-UHFFFAOYSA-N 1 0 385.508 3.558 20 30 GHEDRO CCOc1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(Cl)c1O ZINC000459557202 893803821 /nfs/dbraw/zinc/80/38/21/893803821.db2.gz IVKAZUZASYURIS-UHFFFAOYSA-N 1 0 387.911 3.880 20 30 GHEDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000536832409 893941879 /nfs/dbraw/zinc/94/18/79/893941879.db2.gz LQALIJPGJIYQEF-SJDLUZLQSA-N 1 0 386.499 3.779 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000459684797 894003640 /nfs/dbraw/zinc/00/36/40/894003640.db2.gz DXBYHTLARTZWFU-GXTWGEPZSA-N 1 0 382.302 3.618 20 30 GHEDRO CC(=O)CCN(CCNc1ncccc1CC#N)c1nc2cc(Cl)ccc2o1 ZINC001170795569 894077550 /nfs/dbraw/zinc/07/75/50/894077550.db2.gz LQEJTYQNLSMVLC-UHFFFAOYSA-N 1 0 397.866 3.840 20 30 GHEDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C#N)c1 ZINC001185364890 913841805 /nfs/dbraw/zinc/84/18/05/913841805.db2.gz URHRCKXQEJHSKT-GOSISDBHSA-N 1 0 397.544 3.577 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000537059428 894252042 /nfs/dbraw/zinc/25/20/42/894252042.db2.gz ICQAPCAMERVGNU-QUCCMNQESA-N 1 0 377.488 3.691 20 30 GHEDRO COCCSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000537104913 894317204 /nfs/dbraw/zinc/31/72/04/894317204.db2.gz AXPZLGUCNNXUNW-INIZCTEOSA-N 1 0 383.517 3.976 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000537087389 894322375 /nfs/dbraw/zinc/32/23/75/894322375.db2.gz QNULYHWHEYMPIK-UHFFFAOYSA-N 1 0 381.451 3.750 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(N(C)C)cc1 ZINC000022804727 894452150 /nfs/dbraw/zinc/45/21/50/894452150.db2.gz LRNVSUNFJCSWPU-UHFFFAOYSA-O 1 0 384.569 3.904 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCc1cccc(C#N)c1 ZINC000466822980 913876696 /nfs/dbraw/zinc/87/66/96/913876696.db2.gz OIUKISOPQBDFGU-UHFFFAOYSA-N 1 0 384.911 3.528 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ncc(C#N)cc1Cl ZINC000460006447 894543373 /nfs/dbraw/zinc/54/33/73/894543373.db2.gz FDAHZQHMJMWICT-LJQANCHMSA-N 1 0 396.922 3.809 20 30 GHEDRO C[NH+]1CCN(c2ccc(NC3CCC(C#N)(c4ccccc4)CC3)nc2)CC1 ZINC000537253364 894666222 /nfs/dbraw/zinc/66/62/22/894666222.db2.gz IPXWSHXHMZHTAL-UHFFFAOYSA-N 1 0 375.520 3.649 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000537293976 894718253 /nfs/dbraw/zinc/71/82/53/894718253.db2.gz OMOULXXLIUKCLI-GDBMZVCRSA-N 1 0 378.394 3.959 20 30 GHEDRO CC(=O)[C@](C#N)(CCN1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccccc1 ZINC000878937619 894737287 /nfs/dbraw/zinc/73/72/87/894737287.db2.gz YESDMUFRYSFPEG-LOSJGSFVSA-N 1 0 389.543 3.676 20 30 GHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 ZINC000879038164 894801194 /nfs/dbraw/zinc/80/11/94/894801194.db2.gz QJDHFHYNFHMOJL-KPDCDPCYSA-N 1 0 384.520 3.727 20 30 GHEDRO C[C@@H]1[C@H](OC(=O)Cc2ccc(OCC#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000816470167 894831287 /nfs/dbraw/zinc/83/12/87/894831287.db2.gz JLHUTPXYEYXVIG-XMSQKQJNSA-N 1 0 378.472 3.728 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000879210135 894906826 /nfs/dbraw/zinc/90/68/26/894906826.db2.gz SZPMCUHBCBVKNB-QGZVFWFLSA-N 1 0 396.560 3.813 20 30 GHEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000564379963 894913927 /nfs/dbraw/zinc/91/39/27/894913927.db2.gz QROWPWRWVVIJAI-LJQANCHMSA-N 1 0 390.535 3.570 20 30 GHEDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1ncccc1OCCCC#N ZINC000879243447 894926703 /nfs/dbraw/zinc/92/67/03/894926703.db2.gz YNTQIDOGQBQNQI-UHFFFAOYSA-N 1 0 387.528 3.596 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000564429074 894971350 /nfs/dbraw/zinc/97/13/50/894971350.db2.gz HTBKZGFYPXFKFV-HXUWFJFHSA-N 1 0 384.455 3.911 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000564593831 895106929 /nfs/dbraw/zinc/10/69/29/895106929.db2.gz SWVVWVBSKNSADN-UFYCRDLUSA-N 1 0 399.579 3.642 20 30 GHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(CC#N)cc1 ZINC000533907453 895212189 /nfs/dbraw/zinc/21/21/89/895212189.db2.gz YNWVSXUNBYDDLF-JOCHJYFZSA-N 1 0 375.516 3.955 20 30 GHEDRO C[C@H](C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000564742224 895218871 /nfs/dbraw/zinc/21/88/71/895218871.db2.gz PYYORNPSYIVIPD-QGZVFWFLSA-N 1 0 388.433 3.909 20 30 GHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000565326552 895535283 /nfs/dbraw/zinc/53/52/83/895535283.db2.gz RVZXWKLFPWHBDX-UHFFFAOYSA-N 1 0 399.560 3.800 20 30 GHEDRO N#Cc1cccc([C@@H](NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C(F)(F)F)c1 ZINC000880925132 896001623 /nfs/dbraw/zinc/00/16/23/896001623.db2.gz PTVAXZABLVVPPS-FUHWJXTLSA-N 1 0 394.441 3.583 20 30 GHEDRO N#Cc1cccc([C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C(F)(F)F)c1 ZINC000880930286 896008349 /nfs/dbraw/zinc/00/83/49/896008349.db2.gz SYGPVNRNKCGLCY-WMZOPIPTSA-N 1 0 394.441 3.679 20 30 GHEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccccc1 ZINC000566024163 896052835 /nfs/dbraw/zinc/05/28/35/896052835.db2.gz JIZFPQFINJBLHD-NHCUHLMSSA-N 1 0 383.517 3.736 20 30 GHEDRO CN(c1ncc(C#N)cc1Br)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001185666445 914033402 /nfs/dbraw/zinc/03/34/02/914033402.db2.gz CLADPHMGNAPQES-QGZVFWFLSA-N 1 0 385.309 3.817 20 30 GHEDRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000302876063 914037027 /nfs/dbraw/zinc/03/70/27/914037027.db2.gz NNHNTYOEIMCLMS-NZQKXSOJSA-N 1 0 380.488 3.924 20 30 GHEDRO N#Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccc1C1CC1 ZINC000881125333 896167369 /nfs/dbraw/zinc/16/73/69/896167369.db2.gz APYZISNLUPEDLA-UHFFFAOYSA-N 1 0 375.476 3.617 20 30 GHEDRO C[C@@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccc(C#N)cc1 ZINC000881134321 896181170 /nfs/dbraw/zinc/18/11/70/896181170.db2.gz HYBJXJUXMPIZNI-VGOFRKELSA-N 1 0 389.503 3.725 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(Cl)nc3)C[C@@H]2c2ccccc2)C1=O ZINC001137164191 896189241 /nfs/dbraw/zinc/18/92/41/896189241.db2.gz MDCVRMMUJHZMLV-KNQAVFIVSA-N 1 0 381.907 3.739 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3Cc3ccccc3Br)cnc12 ZINC000566242094 896194792 /nfs/dbraw/zinc/19/47/92/896194792.db2.gz FKULMTGQLIYWFT-QGZVFWFLSA-N 1 0 396.292 3.571 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000566422726 896302961 /nfs/dbraw/zinc/30/29/61/896302961.db2.gz CHVXOPMYUZYNDP-GAJHUEQPSA-N 1 0 378.520 3.857 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)nc1 ZINC000819200815 896472057 /nfs/dbraw/zinc/47/20/57/896472057.db2.gz VZJPURFKIFMQCI-LADRWXRNSA-N 1 0 389.858 3.759 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000819326673 896570687 /nfs/dbraw/zinc/57/06/87/896570687.db2.gz UHBSSJLNRAGQGJ-OALUTQOASA-N 1 0 385.508 3.503 20 30 GHEDRO C#CCOc1ccccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000129953285 896937132 /nfs/dbraw/zinc/93/71/32/896937132.db2.gz WDWDNJBFBQFOLB-UHFFFAOYSA-N 1 0 381.495 3.980 20 30 GHEDRO C[NH+]1CCC(ONC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000819692280 896949715 /nfs/dbraw/zinc/94/97/15/896949715.db2.gz NUXCTOKIOPISNY-UHFFFAOYSA-N 1 0 385.851 3.760 20 30 GHEDRO C=CCc1cc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)cc(OC)c1O ZINC000567281908 897030612 /nfs/dbraw/zinc/03/06/12/897030612.db2.gz TYSNIMUSVBJZFW-MHECFPHRSA-N 1 0 397.515 3.671 20 30 GHEDRO N#CCCC1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000567349562 897084150 /nfs/dbraw/zinc/08/41/50/897084150.db2.gz VBIMIUPKGAUPCK-HXUWFJFHSA-N 1 0 397.519 3.527 20 30 GHEDRO CN(C)c1ccccc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000567391454 897113856 /nfs/dbraw/zinc/11/38/56/897113856.db2.gz GRZNZNMULVEFIZ-UHFFFAOYSA-N 1 0 382.533 3.635 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000820170481 897213655 /nfs/dbraw/zinc/21/36/55/897213655.db2.gz LMCUEELASMBHBY-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cccc(C3(C)OCCO3)c2)cc1OCCCC#N ZINC000883128251 897305024 /nfs/dbraw/zinc/30/50/24/897305024.db2.gz ZFLCVLPRWRVWHA-UHFFFAOYSA-N 1 0 396.487 3.887 20 30 GHEDRO CC(C)(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NCc2ccon2)cc1 ZINC000131143615 897337556 /nfs/dbraw/zinc/33/75/56/897337556.db2.gz ONQRRTPGAMIXIW-UHFFFAOYSA-O 1 0 394.520 3.988 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1Cc2ccccc2O1 ZINC000883170677 897340044 /nfs/dbraw/zinc/34/00/44/897340044.db2.gz ZIYNTBSXUHBANE-SIKLNZKXSA-N 1 0 380.488 3.812 20 30 GHEDRO C#C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000820490874 897357024 /nfs/dbraw/zinc/35/70/24/897357024.db2.gz RGKCHHIIRVJEFW-JOCHJYFZSA-N 1 0 379.479 3.806 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)[C@@H]1CCCO1 ZINC000883223093 897382055 /nfs/dbraw/zinc/38/20/55/897382055.db2.gz HYGBDZHGBHADFZ-PMACEKPBSA-N 1 0 397.519 3.659 20 30 GHEDRO C#CCCCOc1cccnc1N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000820617877 897416425 /nfs/dbraw/zinc/41/64/25/897416425.db2.gz WLJRVWBAEIYJME-UHFFFAOYSA-N 1 0 379.504 3.595 20 30 GHEDRO C=CCn1c(CC(F)(F)F)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000567858492 897456209 /nfs/dbraw/zinc/45/62/09/897456209.db2.gz ANNDRARORDCERX-HOTGVXAUSA-N 1 0 393.457 3.668 20 30 GHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000821626167 897992766 /nfs/dbraw/zinc/99/27/66/897992766.db2.gz GCWKTJBQYSRLRD-CYBMUJFWSA-N 1 0 377.391 3.565 20 30 GHEDRO CCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000132961049 898028791 /nfs/dbraw/zinc/02/87/91/898028791.db2.gz VUGRXJGXGPDTBY-UHFFFAOYSA-O 1 0 383.537 3.718 20 30 GHEDRO CC(C)[NH2+]C1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000108370746 898378328 /nfs/dbraw/zinc/37/83/28/898378328.db2.gz MWYMBWKCFKXELW-OAHLLOKOSA-N 1 0 388.581 3.536 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)cc1 ZINC001136612081 898538953 /nfs/dbraw/zinc/53/89/53/898538953.db2.gz QKVZVAAUXRSWRY-QFIPXVFZSA-N 1 0 393.487 3.615 20 30 GHEDRO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CCc3c(Cl)cccc3Cl)C2)C1=O ZINC001276331361 914265461 /nfs/dbraw/zinc/26/54/61/914265461.db2.gz KIRFQOUQKLOVFS-FQEVSTJZSA-N 1 0 395.330 3.953 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000884058476 898711589 /nfs/dbraw/zinc/71/15/89/898711589.db2.gz LYMLUQJADPDRSW-IBGZPJMESA-N 1 0 385.552 3.531 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2ccc(OC)cc2nc1C)C(C)C ZINC001136650345 898757585 /nfs/dbraw/zinc/75/75/85/898757585.db2.gz XKRPSMRMGYXDFF-JOCHJYFZSA-N 1 0 381.520 3.980 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C2 ZINC000884078998 898805551 /nfs/dbraw/zinc/80/55/51/898805551.db2.gz DMWYTVFBRKDMRQ-NKCCXGTCSA-N 1 0 378.303 3.796 20 30 GHEDRO N#CCCCN1CC[C@]2(CCCN2CCc2c(Cl)cccc2Cl)C1=O ZINC001276332568 914298805 /nfs/dbraw/zinc/29/88/05/914298805.db2.gz WMJAHOKLWMOGQA-LJQANCHMSA-N 1 0 380.319 3.907 20 30 GHEDRO CC(C)[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884120420 898952885 /nfs/dbraw/zinc/95/28/85/898952885.db2.gz LJLCXCPJYHISJJ-WSIVYLHMSA-N 1 0 379.426 3.658 20 30 GHEDRO CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1c(Cl)cccc1Cl ZINC000884127447 898997204 /nfs/dbraw/zinc/99/72/04/898997204.db2.gz DUDRKDGPZKJVAM-FWHMADFJSA-N 1 0 380.319 3.527 20 30 GHEDRO Cc1ccccc1Oc1ccccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884128570 899001536 /nfs/dbraw/zinc/00/15/36/899001536.db2.gz HPORGBWNAZUBIG-FVRICEFQSA-N 1 0 375.472 3.543 20 30 GHEDRO COc1cc(/C=C/C(=O)Nc2ccc(C)cc2C[NH+](C)C)ccc1OCC#N ZINC000113912733 899043071 /nfs/dbraw/zinc/04/30/71/899043071.db2.gz RFMZRUMHLZFNBC-JXMROGBWSA-N 1 0 379.460 3.620 20 30 GHEDRO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@@H](C)C1 ZINC000331645339 899051523 /nfs/dbraw/zinc/05/15/23/899051523.db2.gz VQOIRJSKKDFDSS-CALCHBBNSA-N 1 0 399.583 3.835 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3[nH]c4ccccc4c3C#N)CCCCC2)CCO1 ZINC001136727666 899054268 /nfs/dbraw/zinc/05/42/68/899054268.db2.gz TZFAWYOBXQQXKL-UHFFFAOYSA-N 1 0 394.519 3.583 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000823489517 899059147 /nfs/dbraw/zinc/05/91/47/899059147.db2.gz HCEYNQZYSIJGIJ-NFBKMPQASA-N 1 0 379.504 3.904 20 30 GHEDRO C[C@@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1F ZINC000114509753 899091400 /nfs/dbraw/zinc/09/14/00/899091400.db2.gz YGXQYIYJZMFRHL-JOCHJYFZSA-N 1 0 396.441 3.739 20 30 GHEDRO COc1ccccc1-c1ccc([C@@H](C)NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884153321 899100444 /nfs/dbraw/zinc/10/04/44/899100444.db2.gz IJCICEKJZHYPNC-XVLQMAQLSA-N 1 0 389.499 3.679 20 30 GHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000114724508 899114158 /nfs/dbraw/zinc/11/41/58/899114158.db2.gz LVSLAZXCXHMUCZ-IBGZPJMESA-N 1 0 379.460 3.741 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)c1 ZINC000823887809 899306526 /nfs/dbraw/zinc/30/65/26/899306526.db2.gz RLBNBUBQZQSVMD-HXUWFJFHSA-N 1 0 376.460 3.852 20 30 GHEDRO CC(C)(C)[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000331989975 899322184 /nfs/dbraw/zinc/32/21/84/899322184.db2.gz UQAVWASKMNQMEY-QGZVFWFLSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(F)c1 ZINC001136804267 899338532 /nfs/dbraw/zinc/33/85/32/899338532.db2.gz XEJSXASYGPTCRY-MRXNPFEDSA-N 1 0 391.368 3.720 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000118817774 899477851 /nfs/dbraw/zinc/47/78/51/899477851.db2.gz QIDFAFQTVZSWEP-FQEVSTJZSA-N 1 0 392.503 3.861 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884304792 899734921 /nfs/dbraw/zinc/73/49/21/899734921.db2.gz AVKAWHWBMWQQDZ-ZMCCSPFOSA-N 1 0 389.499 3.621 20 30 GHEDRO N#CC1(c2ccc(C[N@H+]3CCCN(C(=O)Oc4ccccc4)CC3)cc2)CC1 ZINC000824689840 899768353 /nfs/dbraw/zinc/76/83/53/899768353.db2.gz UGQOFRCQCMTUFX-UHFFFAOYSA-N 1 0 375.472 3.948 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000571543134 899904008 /nfs/dbraw/zinc/90/40/08/899904008.db2.gz SFIHTFMQOWDBOH-UHFFFAOYSA-N 1 0 394.906 3.826 20 30 GHEDRO COCCOc1ccc(C#N)cc1N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571721808 899957382 /nfs/dbraw/zinc/95/73/82/899957382.db2.gz QLFWULMOUFJEPA-RXVVDRJESA-N 1 0 379.504 3.906 20 30 GHEDRO Cc1ccc2[nH]c(-c3ccccc3NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)nc2c1 ZINC000884381521 899989364 /nfs/dbraw/zinc/98/93/64/899989364.db2.gz IJRHRBDQOJCLAG-IOXSGPKDSA-N 1 0 385.471 3.616 20 30 GHEDRO COc1cccc(Nc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)c1 ZINC000884430418 900075594 /nfs/dbraw/zinc/07/55/94/900075594.db2.gz PHDOWXAAHKHUAE-BXFSZVDSSA-N 1 0 376.460 3.517 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl)C2 ZINC000884436124 900079181 /nfs/dbraw/zinc/07/91/81/900079181.db2.gz WBZNACPJQPWWIQ-DBAFAGGRSA-N 1 0 385.939 3.793 20 30 GHEDRO C=CCC1(O)CCN(Cn2nc([C@@H](CC)[NH+](C)C)n(CCCC)c2=S)CC1 ZINC000884478897 900122932 /nfs/dbraw/zinc/12/29/32/900122932.db2.gz PFWOXZXIZDENAA-QGZVFWFLSA-N 1 0 395.617 3.587 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3cccc(OCC#N)c3)cc2)C1 ZINC000134823181 900129668 /nfs/dbraw/zinc/12/96/68/900129668.db2.gz QSCKVRSOYWQEDQ-LJQANCHMSA-N 1 0 391.515 3.680 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000289907975 914417062 /nfs/dbraw/zinc/41/70/62/914417062.db2.gz SUHXCFQMUBQBOG-QGZVFWFLSA-N 1 0 393.491 3.941 20 30 GHEDRO Cc1ccnc(N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1C#N ZINC000884591989 900186029 /nfs/dbraw/zinc/18/60/29/900186029.db2.gz CUQMSYBTZDVSEN-FQEVSTJZSA-N 1 0 376.504 3.887 20 30 GHEDRO CC(C)[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[NH+]1CCC(C)CC1 ZINC000135248588 900210269 /nfs/dbraw/zinc/21/02/69/900210269.db2.gz UWXVYAQDWOGSPB-GOSISDBHSA-N 1 0 376.476 3.606 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3scc(C)c3C#N)CC2)cc1 ZINC000573217680 900416281 /nfs/dbraw/zinc/41/62/81/900416281.db2.gz MZDWROLMQMXGAI-UHFFFAOYSA-N 1 0 384.505 3.677 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccccc1 ZINC000844165216 900560296 /nfs/dbraw/zinc/56/02/96/900560296.db2.gz UYOBZCBPMHHAJS-KRWDZBQOSA-N 1 0 378.472 3.894 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN(Cc3c(F)ccc(F)c3Br)C2)C1=O ZINC001143816848 900560490 /nfs/dbraw/zinc/56/04/90/900560490.db2.gz CHNMVPZLNCVWBK-GOSISDBHSA-N 1 0 399.279 3.728 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000844329775 900702832 /nfs/dbraw/zinc/70/28/32/900702832.db2.gz JDJOLEWMYDTQQO-OAHLLOKOSA-N 1 0 378.432 3.834 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000844323245 900728138 /nfs/dbraw/zinc/72/81/38/900728138.db2.gz FJDATGPPIYIKTG-QGZVFWFLSA-N 1 0 388.468 3.640 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844323444 900728997 /nfs/dbraw/zinc/72/89/97/900728997.db2.gz OWPKIRKRTOKVPJ-HNNXBMFYSA-N 1 0 388.468 3.593 20 30 GHEDRO C[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)C1 ZINC001186354286 914471870 /nfs/dbraw/zinc/47/18/70/914471870.db2.gz DQKDYXBMXMFSOB-NZQKXSOJSA-N 1 0 387.527 3.687 20 30 GHEDRO C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367068 900777149 /nfs/dbraw/zinc/77/71/49/900777149.db2.gz QPUVIOLSNFQKEN-LJQANCHMSA-N 1 0 386.879 3.581 20 30 GHEDRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000844367139 900777296 /nfs/dbraw/zinc/77/72/96/900777296.db2.gz RPEPYCDSLXPNGA-KRWDZBQOSA-N 1 0 392.286 3.859 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCSCC#N)C1 ZINC000844459964 900888694 /nfs/dbraw/zinc/88/86/94/900888694.db2.gz MXPGZGYJTNWJQR-FGTMMUONSA-N 1 0 397.585 3.560 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886218622 900892393 /nfs/dbraw/zinc/89/23/93/900892393.db2.gz ZIXXFZYFQMRISD-GBESFXJTSA-N 1 0 391.556 3.543 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)c(OCC)c(F)c1)CC2 ZINC001144028919 900952535 /nfs/dbraw/zinc/95/25/35/900952535.db2.gz KHFRRHBYLFYLBT-NRFANRHFSA-N 1 0 378.463 3.897 20 30 GHEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000886362917 900956334 /nfs/dbraw/zinc/95/63/34/900956334.db2.gz SEIKAYRQMQBBFB-HOTGVXAUSA-N 1 0 381.501 3.673 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCCC2=O ZINC000575009374 901086099 /nfs/dbraw/zinc/08/60/99/901086099.db2.gz ZMLIMXMDRZWROF-UHFFFAOYSA-N 1 0 390.487 3.673 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000575341899 901201908 /nfs/dbraw/zinc/20/19/08/901201908.db2.gz JWOONACCCNERMO-OAHLLOKOSA-N 1 0 388.899 3.586 20 30 GHEDRO C=COc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000844705631 901217416 /nfs/dbraw/zinc/21/74/16/901217416.db2.gz WGDMPKAQWQERGA-UHFFFAOYSA-N 1 0 376.460 3.867 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c1 ZINC000886686296 901227247 /nfs/dbraw/zinc/22/72/47/901227247.db2.gz NFFMXHHZYJMDPP-AWEZNQCLSA-N 1 0 399.516 3.804 20 30 GHEDRO COCc1c2ccccc2oc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047010609 901236269 /nfs/dbraw/zinc/23/62/69/901236269.db2.gz CXWLSXZGVFBOGH-UHFFFAOYSA-N 1 0 391.471 3.655 20 30 GHEDRO C=C(C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F ZINC001144209961 901260225 /nfs/dbraw/zinc/26/02/25/901260225.db2.gz VZDPTBYCDLUEKY-UHFFFAOYSA-N 1 0 380.332 3.905 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886931370 901332674 /nfs/dbraw/zinc/33/26/74/901332674.db2.gz NDUOSEYBQROZPT-HNNXBMFYSA-N 1 0 386.402 3.717 20 30 GHEDRO CCC[N@H+]([C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000575868387 901405879 /nfs/dbraw/zinc/40/58/79/901405879.db2.gz OIIDAPIZSBCXQP-XRXFAXGQSA-N 1 0 381.520 3.579 20 30 GHEDRO C#CCC1([NH2+]Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CCOCC1 ZINC000887123486 901445118 /nfs/dbraw/zinc/44/51/18/901445118.db2.gz QZNLWDZLGAJJHT-UHFFFAOYSA-N 1 0 390.483 3.808 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000887124672 901447007 /nfs/dbraw/zinc/44/70/07/901447007.db2.gz NZONMUMMBZUTIG-SFHVURJKSA-N 1 0 395.330 3.819 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)CC1 ZINC000290166705 914554405 /nfs/dbraw/zinc/55/44/05/914554405.db2.gz DUTYTQQPKSRFON-UHFFFAOYSA-N 1 0 393.553 3.890 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000576151401 901729048 /nfs/dbraw/zinc/72/90/48/901729048.db2.gz RHHLWPKKELEXFI-RXVVDRJESA-N 1 0 377.488 3.691 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000123019172 901885510 /nfs/dbraw/zinc/88/55/10/901885510.db2.gz RQUPFTIDUACQSN-UWJYYQICSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](Cc3cccc(O)c3)CC3CC3)C2=O)cc1 ZINC000576428112 902014316 /nfs/dbraw/zinc/01/43/16/902014316.db2.gz UOGIQLCAXMHLMQ-JOCHJYFZSA-N 1 0 375.472 3.671 20 30 GHEDRO COc1ccc(F)cc1CN1CCC([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171195754 902289594 /nfs/dbraw/zinc/28/95/94/902289594.db2.gz UFJXSXQFTJCWCZ-QGZVFWFLSA-N 1 0 381.495 3.891 20 30 GHEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000576869663 902322185 /nfs/dbraw/zinc/32/21/85/902322185.db2.gz YHYYANPMHKPGIC-IPELMVKDSA-N 1 0 384.442 3.532 20 30 GHEDRO C#Cc1ccc(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)cc1 ZINC001144568779 902398951 /nfs/dbraw/zinc/39/89/51/902398951.db2.gz DXSFXCDWJDBIAK-QFIPXVFZSA-N 1 0 375.516 3.800 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000127643713 902527242 /nfs/dbraw/zinc/52/72/42/902527242.db2.gz RSJYKFQLBVOULC-JOCHJYFZSA-N 1 0 378.520 3.819 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000047914830 902615204 /nfs/dbraw/zinc/61/52/04/902615204.db2.gz ZBDJPAQDAVBDTB-DYESRHJHSA-N 1 0 392.503 3.764 20 30 GHEDRO O=C(/C=C/C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001144709001 902714720 /nfs/dbraw/zinc/71/47/20/902714720.db2.gz UCMQWIVBFJLOTI-IEIJKENGSA-N 1 0 388.511 3.796 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001171218031 902774950 /nfs/dbraw/zinc/77/49/50/902774950.db2.gz SVOKNXKXQLHJKL-IQGLISFBSA-N 1 0 385.511 3.890 20 30 GHEDRO CC(C)COc1ccc(C(C)(C)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600723564 902844983 /nfs/dbraw/zinc/84/49/83/902844983.db2.gz WPVFKBIVTVITOH-FQEVSTJZSA-N 1 0 388.552 3.660 20 30 GHEDRO Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c(O[C@H](C)CC(C)C)c1 ZINC000600728700 902850290 /nfs/dbraw/zinc/85/02/90/902850290.db2.gz BHKNRBOKKNHKOT-CTNGQTDRSA-N 1 0 388.552 3.969 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000577540472 902864435 /nfs/dbraw/zinc/86/44/35/902864435.db2.gz XSCXPXKVYQGPQO-AEFFLSMTSA-N 1 0 385.451 3.923 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NCCSC)cc1 ZINC000131272524 903076061 /nfs/dbraw/zinc/07/60/61/903076061.db2.gz XZTLXTYHCFPKAB-UHFFFAOYSA-O 1 0 377.530 3.567 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000264536862 903182191 /nfs/dbraw/zinc/18/21/91/903182191.db2.gz GKWKUOMDRTUGGX-UHFFFAOYSA-N 1 0 382.439 3.514 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)cc(OC)c1OC ZINC000772953732 903211968 /nfs/dbraw/zinc/21/19/68/903211968.db2.gz LPFBZMAXVVVTQZ-QGZVFWFLSA-N 1 0 382.504 3.964 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(OC)cc2)cc1 ZINC000772954218 903231891 /nfs/dbraw/zinc/23/18/91/903231891.db2.gz XKJIWLCAAXUCBT-MRXNPFEDSA-N 1 0 388.895 3.907 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(Br)c1Cl ZINC000283003451 903237536 /nfs/dbraw/zinc/23/75/36/903237536.db2.gz GTNKFMLIOZZXKN-UHFFFAOYSA-N 1 0 387.709 3.802 20 30 GHEDRO C=CCN1CCC(NS(=O)(=O)c2ccc(OCCC)c(C(C)(C)C)c2)CC1 ZINC001186641629 914701072 /nfs/dbraw/zinc/70/10/72/914701072.db2.gz BXZMLOSVNINART-UHFFFAOYSA-N 1 0 394.581 3.702 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000772957685 903283248 /nfs/dbraw/zinc/28/32/48/903283248.db2.gz AYKPDANIEAYSBE-MRXNPFEDSA-N 1 0 385.895 3.930 20 30 GHEDRO CC(C)COc1cc(Br)cc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c1 ZINC001171258932 903348198 /nfs/dbraw/zinc/34/81/98/903348198.db2.gz QNDXFRAIWMDDFC-UHFFFAOYSA-N 1 0 390.281 3.620 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[N@@H+](C)C[C@@H]2CC)s1 ZINC000846968764 903360055 /nfs/dbraw/zinc/36/00/55/903360055.db2.gz COYUKCZMLSAFGS-AWEZNQCLSA-N 1 0 388.002 3.781 20 30 GHEDRO N#Cc1ccc(OCCC[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000847002719 903381764 /nfs/dbraw/zinc/38/17/64/903381764.db2.gz TWIKQURJQGHJRK-MEMLXQNLSA-N 1 0 380.488 3.838 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000847017611 903400973 /nfs/dbraw/zinc/40/09/73/903400973.db2.gz RVGFSZOZTAKCSY-NTKDMRAZSA-N 1 0 375.516 3.765 20 30 GHEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000601163306 903411604 /nfs/dbraw/zinc/41/16/04/903411604.db2.gz FUNZEEFHQOBCMF-CYBMUJFWSA-N 1 0 396.434 3.874 20 30 GHEDRO C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000601184950 903439762 /nfs/dbraw/zinc/43/97/62/903439762.db2.gz ZBQQXDPNNFNTTO-RBUKOAKNSA-N 1 0 376.504 3.866 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC#N)cc1 ZINC000772958988 903446003 /nfs/dbraw/zinc/44/60/03/903446003.db2.gz JUENCGRUOWKAEB-SFYKDHMMSA-N 1 0 379.504 3.529 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000772959032 903446186 /nfs/dbraw/zinc/44/61/86/903446186.db2.gz JUENCGRUOWKAEB-YCRNBWNJSA-N 1 0 379.504 3.529 20 30 GHEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000578053655 903479001 /nfs/dbraw/zinc/47/90/01/903479001.db2.gz UFRPSZZWGDBESY-HBFSDRIKSA-N 1 0 399.416 3.824 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc(Nc3cc(F)ccc3C#N)cc[nH+]2)CC1 ZINC001212837136 903500237 /nfs/dbraw/zinc/50/02/37/903500237.db2.gz WMUALSXYPPUSHT-UHFFFAOYSA-N 1 0 397.454 3.893 20 30 GHEDRO C[C@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)NC(=O)OC(C)(C)C ZINC000264955679 903505969 /nfs/dbraw/zinc/50/59/69/903505969.db2.gz MFZDFWOSUNRNRY-QGZVFWFLSA-N 1 0 397.523 3.857 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)ccc1OC ZINC000264958048 903508639 /nfs/dbraw/zinc/50/86/39/903508639.db2.gz MXZMWGLDYVFRPR-UHFFFAOYSA-N 1 0 398.503 3.893 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001146420680 903534473 /nfs/dbraw/zinc/53/44/73/903534473.db2.gz HAYMMMYBOXSMIH-MOPGFXCFSA-N 1 0 395.588 3.957 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC001186692847 914728578 /nfs/dbraw/zinc/72/85/78/914728578.db2.gz ZHKFEBJGMDXPPQ-UHFFFAOYSA-N 1 0 392.547 3.791 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000578260017 903663749 /nfs/dbraw/zinc/66/37/49/903663749.db2.gz INEGRKVXJZWOHL-UHFFFAOYSA-N 1 0 379.382 3.543 20 30 GHEDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)c2)C1 ZINC000887736921 903694654 /nfs/dbraw/zinc/69/46/54/903694654.db2.gz LUBUDMIWAIALTB-DHIUTWEWSA-N 1 0 389.499 3.581 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136500513 903787660 /nfs/dbraw/zinc/78/76/60/903787660.db2.gz CVSIRFNIETZDJT-IBGZPJMESA-O 1 0 397.564 3.718 20 30 GHEDRO O=C(NCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1)C1N=CC=CC1=O ZINC000772982158 903836299 /nfs/dbraw/zinc/83/62/99/903836299.db2.gz FUALSFDFUTZJLM-XQDODVJUSA-N 1 0 395.890 3.740 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2)c1 ZINC000772982959 903858963 /nfs/dbraw/zinc/85/89/63/903858963.db2.gz GIJAZLDUEZRIDN-VQIMIIECSA-N 1 0 381.476 3.883 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171332807 904100711 /nfs/dbraw/zinc/10/07/11/904100711.db2.gz ISIGYNJEWKACQG-LSDHHAIUSA-N 1 0 378.900 3.583 20 30 GHEDRO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000578922510 904227305 /nfs/dbraw/zinc/22/73/05/904227305.db2.gz OIJOBZMRLPKTCD-FQEVSTJZSA-N 1 0 399.535 3.652 20 30 GHEDRO Cc1cccc(C)c1NC(=O)[C@H](C)O/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000153613986 904383707 /nfs/dbraw/zinc/38/37/07/904383707.db2.gz ONNTVXGKXJXHHL-FSTGKYBXSA-N 1 0 381.476 3.518 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1ncccc1C(=O)NCCC[NH+](C)C ZINC001171373789 904394321 /nfs/dbraw/zinc/39/43/21/904394321.db2.gz VGSFTMAQNVBVOG-QGZVFWFLSA-N 1 0 382.508 3.501 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1CCc3c(F)cc(F)cc3C1)CCO2 ZINC001171375334 904401166 /nfs/dbraw/zinc/40/11/66/904401166.db2.gz ZEHHKWPGFOWWNF-ZWCUEREDSA-N 1 0 377.475 3.896 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000773107810 904440834 /nfs/dbraw/zinc/44/08/34/904440834.db2.gz NTCUOHRQRGCDAY-SCWSEQNSSA-N 1 0 375.896 3.953 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H](N3CCC[N@H+](CC4CCCCC4)CC3)C2=O)cc1 ZINC000579313831 904506559 /nfs/dbraw/zinc/50/65/59/904506559.db2.gz NWDNRBXRVHTIEP-QHCPKHFHSA-N 1 0 394.563 3.642 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000187570479 904564819 /nfs/dbraw/zinc/56/48/19/904564819.db2.gz CSXOCFAKGLJWMI-CQSZACIVSA-N 1 0 379.382 3.646 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1 ZINC000889835890 904791610 /nfs/dbraw/zinc/79/16/10/904791610.db2.gz WOYKQRLTMSSHIB-UHFFFAOYSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCc2ccc(Cl)cc21 ZINC001171719176 904946332 /nfs/dbraw/zinc/94/63/32/904946332.db2.gz OUHWTKBCPMUNEY-UZLBHIALSA-N 1 0 384.907 3.808 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3C[C@H](C)N(Cc4ccccc4)C3)C2)C1 ZINC001171744760 904971158 /nfs/dbraw/zinc/97/11/58/904971158.db2.gz HZZOHUUPENDDMS-BGWNEDDSSA-N 1 0 397.563 3.760 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001171754985 904987475 /nfs/dbraw/zinc/98/74/75/904987475.db2.gz KYTAKHPVIFNAPW-MSNJVRRCSA-N 1 0 384.564 3.723 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC001171814812 905072374 /nfs/dbraw/zinc/07/23/74/905072374.db2.gz NQEJXPRGTZMRBV-FPOVZHCZSA-N 1 0 375.472 3.825 20 30 GHEDRO [NH2+]=C(N[C@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccc2cc(O)ccc2c1 ZINC001171878751 905151357 /nfs/dbraw/zinc/15/13/57/905151357.db2.gz USPPVWQVJMCWJY-NRFANRHFSA-N 1 0 387.483 3.946 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000174102172 905202374 /nfs/dbraw/zinc/20/23/74/905202374.db2.gz IOEXJUBBDOSUNU-UHFFFAOYSA-N 1 0 381.476 3.582 20 30 GHEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(N(C)CCC#N)cc3)ccc2NC1=O ZINC000174139317 905210194 /nfs/dbraw/zinc/21/01/94/905210194.db2.gz ZKTYGOYMJQKKDQ-IIBYNOLFSA-N 1 0 392.503 3.997 20 30 GHEDRO CCOC(=O)C1(C#N)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172084077 905295806 /nfs/dbraw/zinc/29/58/06/905295806.db2.gz UCXNSMLCNDTMAC-ZBYYUNFXSA-N 1 0 395.547 3.741 20 30 GHEDRO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C1C[C@@H]2COC[C@H](C1)N2C ZINC001172141534 905348462 /nfs/dbraw/zinc/34/84/62/905348462.db2.gz YEAOZNVFSFNKRL-CAADTVGGSA-N 1 0 375.516 3.983 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@@H]4CSc5ccccc5C4)C3)CC2=O)c1 ZINC001172206805 905404230 /nfs/dbraw/zinc/40/42/30/905404230.db2.gz YCLKFDWIIYRKFD-REWPJTCUSA-N 1 0 389.524 3.704 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001172303050 905456895 /nfs/dbraw/zinc/45/68/95/905456895.db2.gz AKGUFKDXRKNCBL-VEXUSMLFSA-N 1 0 391.515 3.725 20 30 GHEDRO Cc1cccc(N([C@H](C)Cc2ccc(C#N)cc2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001172303415 905457426 /nfs/dbraw/zinc/45/74/26/905457426.db2.gz CVKOYUPNFFABCW-FOVJLYNBSA-N 1 0 375.516 3.825 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001172305158 905459015 /nfs/dbraw/zinc/45/90/15/905459015.db2.gz QPGTYOZSTKMYLT-HXOBKFHXSA-N 1 0 377.463 3.757 20 30 GHEDRO COC(=O)c1ccc(OC2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172306126 905461488 /nfs/dbraw/zinc/46/14/88/905461488.db2.gz IQOKGAGQRRQCKM-KRWDZBQOSA-N 1 0 378.472 3.819 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001172309270 905467574 /nfs/dbraw/zinc/46/75/74/905467574.db2.gz SGGUGSUQBZKZHT-IBGZPJMESA-N 1 0 383.499 3.802 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001172309273 905467725 /nfs/dbraw/zinc/46/77/25/905467725.db2.gz SGKSWLLISKDEEB-RZFNWQHOSA-N 1 0 377.488 3.587 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001172317079 905471740 /nfs/dbraw/zinc/47/17/40/905471740.db2.gz AZPAUPPYQCUMTB-CDNPAEQRSA-N 1 0 389.499 3.975 20 30 GHEDRO COc1ccc(CCN2CCC([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172300376 905484261 /nfs/dbraw/zinc/48/42/61/905484261.db2.gz UVZRXHDGJMMXJO-IBGZPJMESA-N 1 0 377.532 3.795 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801578815 921152891 /nfs/dbraw/zinc/15/28/91/921152891.db2.gz GCFIGSODPZSOTI-CVDCTZTESA-N 1 0 398.572 3.677 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001172358211 905526930 /nfs/dbraw/zinc/52/69/30/905526930.db2.gz OFBVAKDDJSLNHM-IYWMVGAKSA-N 1 0 388.556 3.749 20 30 GHEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172478051 905556394 /nfs/dbraw/zinc/55/63/94/905556394.db2.gz BBBCUJVMVFNDBN-KRWDZBQOSA-N 1 0 378.561 3.522 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2C ZINC001172496772 905598714 /nfs/dbraw/zinc/59/87/14/905598714.db2.gz QJEGWFIEAXIMAM-LJQANCHMSA-N 1 0 377.536 3.869 20 30 GHEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001172503789 905602264 /nfs/dbraw/zinc/60/22/64/905602264.db2.gz AXQKYPAAXZWACW-UGKGYDQZSA-N 1 0 379.589 3.719 20 30 GHEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001172508793 905604089 /nfs/dbraw/zinc/60/40/89/905604089.db2.gz OIFFBOQMIBMBJI-FQEVSTJZSA-N 1 0 395.613 3.935 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000801584955 921165792 /nfs/dbraw/zinc/16/57/92/921165792.db2.gz OGPKZTWWIIEKDP-JIMJEQGWSA-N 1 0 397.522 3.849 20 30 GHEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2C)C1 ZINC001172606137 905665482 /nfs/dbraw/zinc/66/54/82/905665482.db2.gz QCHKQTUJIHLPNL-SCTDSRPQSA-N 1 0 378.488 3.711 20 30 GHEDRO N#CC1(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000176845115 905958714 /nfs/dbraw/zinc/95/87/14/905958714.db2.gz JABPMUCRQOKQDX-UHFFFAOYSA-N 1 0 383.536 3.648 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C#N ZINC001172967848 906029356 /nfs/dbraw/zinc/02/93/56/906029356.db2.gz FEAHGEYRPGCGKR-HKBOAZHASA-N 1 0 398.551 3.532 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@H]1C#N ZINC001172968265 906029528 /nfs/dbraw/zinc/02/95/28/906029528.db2.gz JWGDPWHLFQOEFB-YRBFXIGRSA-N 1 0 377.435 3.702 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@H]1C#N ZINC001172978136 906044364 /nfs/dbraw/zinc/04/43/64/906044364.db2.gz MMDUGKXMWHCBIC-PMACEKPBSA-N 1 0 399.535 3.616 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2cccc3ccoc32)C[C@H]1C#N ZINC001172978051 906044466 /nfs/dbraw/zinc/04/44/66/906044466.db2.gz HYGPQAZZVPDWLS-SJORKVTESA-N 1 0 385.464 3.693 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)C[C@H]1C#N ZINC001172980567 906047687 /nfs/dbraw/zinc/04/76/87/906047687.db2.gz YLKFRVSKRAKWBN-TUVASFSCSA-N 1 0 375.435 3.989 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C[C@H]1C#N ZINC001172989604 906053089 /nfs/dbraw/zinc/05/30/89/906053089.db2.gz IMTZKHOAFKRHAN-OALUTQOASA-N 1 0 385.508 3.863 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177272618 906084940 /nfs/dbraw/zinc/08/49/40/906084940.db2.gz MUQIPSQGDNIOFI-KDURUIRLSA-N 1 0 393.497 3.547 20 30 GHEDRO C=C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1)c1ccccc1 ZINC001173024244 906098679 /nfs/dbraw/zinc/09/86/79/906098679.db2.gz MGWRTQQYVLYBGQ-PZJWPPBQSA-N 1 0 380.488 3.712 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173039493 906112103 /nfs/dbraw/zinc/11/21/03/906112103.db2.gz PXNSOYSWCGXRIU-NRFANRHFSA-N 1 0 394.515 3.883 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000190615776 906175270 /nfs/dbraw/zinc/17/52/70/906175270.db2.gz PAIHQUCWXOFSGJ-IFXJQAMLSA-N 1 0 398.304 3.772 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(F)cc3C(F)(F)F)C2=O)cc1 ZINC000190838823 906346951 /nfs/dbraw/zinc/34/69/51/906346951.db2.gz PQDZLBNDARFGNZ-SFHVURJKSA-N 1 0 391.368 3.607 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001173320748 906369796 /nfs/dbraw/zinc/36/97/96/906369796.db2.gz DIKWZFMWRSTBII-FTISGTJISA-N 1 0 392.565 3.653 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CC1 ZINC001173321475 906370777 /nfs/dbraw/zinc/37/07/77/906370777.db2.gz MSCHOWRGIWBOSM-IWAAJCSBSA-N 1 0 382.548 3.933 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)CC1 ZINC001173324360 906371776 /nfs/dbraw/zinc/37/17/76/906371776.db2.gz NIETUZWNBHONNS-HCPAQRILSA-N 1 0 384.520 3.638 20 30 GHEDRO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3C2CCC(CC#N)CC2)cs1 ZINC001173334544 906377116 /nfs/dbraw/zinc/37/71/16/906377116.db2.gz YSGPXEUQZYKFGH-ATBMWHHMSA-N 1 0 375.538 3.672 20 30 GHEDRO Cc1nc(CN2CCC3(CC[NH+](C4CCC(CC#N)CC4)CC3)C2=O)cs1 ZINC001173335166 906377753 /nfs/dbraw/zinc/37/77/53/906377753.db2.gz CAEVDXIPTNPFJI-UHFFFAOYSA-N 1 0 386.565 3.739 20 30 GHEDRO N#CCC1CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)CC1 ZINC001173334934 906377860 /nfs/dbraw/zinc/37/78/60/906377860.db2.gz ASKDEEVXOUYDOY-WJTCQHJGSA-N 1 0 387.499 3.943 20 30 GHEDRO N#CCC1CCC([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001173335654 906379786 /nfs/dbraw/zinc/37/97/86/906379786.db2.gz UJTSSSXUOUILSN-LLAFXHEGSA-N 1 0 392.547 3.950 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCN(C2CC[NH+](C3CCC(CC#N)CC3)CC2)C1 ZINC001173341515 906381922 /nfs/dbraw/zinc/38/19/22/906381922.db2.gz YGCZNGZTKOKBLY-XBMUEBEBSA-N 1 0 390.572 3.522 20 30 GHEDRO N#Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC001173380377 906390575 /nfs/dbraw/zinc/39/05/75/906390575.db2.gz YVISKYQYMVGQGX-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CC2)COCCN(c2nccs2)C3)CC1 ZINC001173320518 906391614 /nfs/dbraw/zinc/39/16/14/906391614.db2.gz AFWJASDIRBDIQU-UHFFFAOYSA-N 1 0 391.581 3.576 20 30 GHEDRO C#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC001173388740 906417595 /nfs/dbraw/zinc/41/75/95/906417595.db2.gz AVKAQVUSJJYFRR-UHFFFAOYSA-N 1 0 397.316 3.825 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1Cl ZINC001173423341 906458583 /nfs/dbraw/zinc/45/85/83/906458583.db2.gz JPJSERHMOMWTDL-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO CC(C)Oc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173422612 906458603 /nfs/dbraw/zinc/45/86/03/906458603.db2.gz SSUXHZNDLMEGCC-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173426547 906463201 /nfs/dbraw/zinc/46/32/01/906463201.db2.gz BUMQPAPNXIMFJI-QGZVFWFLSA-N 1 0 377.488 3.912 20 30 GHEDRO CC(C)Oc1ccc(CC[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173426421 906463371 /nfs/dbraw/zinc/46/33/71/906463371.db2.gz YOLKHQQEYKLWQF-UHFFFAOYSA-N 1 0 391.515 3.782 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)CCCCC(=O)OC)C[C@@H]2c2ccccc2)C1=O ZINC001173451472 906491892 /nfs/dbraw/zinc/49/18/92/906491892.db2.gz KDGSYRQOYQMVLS-LEEZEASISA-N 1 0 398.547 3.612 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](C[NH2+]C3CCC(C)(C#N)CC3)CO2)C1 ZINC001173586805 906545635 /nfs/dbraw/zinc/54/56/35/906545635.db2.gz HIUBQKSGWXURKK-QAYXBAAESA-N 1 0 391.556 3.855 20 30 GHEDRO CC1(C#N)CCC([NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)CC1 ZINC001173595232 906549449 /nfs/dbraw/zinc/54/94/49/906549449.db2.gz NBIGBIOYMCKICC-UHFFFAOYSA-N 1 0 385.527 3.965 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)CC1 ZINC001173596148 906550877 /nfs/dbraw/zinc/55/08/77/906550877.db2.gz LIERDEKBBMURRM-LBDKCUJNSA-N 1 0 387.499 3.943 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@H](CC(=O)OCC)C1)[C@@H]2CC ZINC001173637336 906588965 /nfs/dbraw/zinc/58/89/65/906588965.db2.gz AXFWIQSLLHURJJ-VWNVYAMZSA-N 1 0 376.541 3.530 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000180062925 906679148 /nfs/dbraw/zinc/67/91/48/906679148.db2.gz FWWKOYKJPVSWKL-KRWDZBQOSA-N 1 0 378.476 3.895 20 30 GHEDRO [NH2+]=C(NC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)c1ccc(Cl)cn1 ZINC001173770167 906688253 /nfs/dbraw/zinc/68/82/53/906688253.db2.gz WUVADYKWSUGJPN-UHFFFAOYSA-N 1 0 395.265 3.538 20 30 GHEDRO C=CCOC(=O)N1CC[NH+](C2CCC(c3ccc(OC(C)=O)cc3)CC2)CC1 ZINC001173791189 906715506 /nfs/dbraw/zinc/71/55/06/906715506.db2.gz YFUFTELTMVEQRZ-UHFFFAOYSA-N 1 0 386.492 3.578 20 30 GHEDRO CCOc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cc(C#N)n(C)c1 ZINC000191184305 906728172 /nfs/dbraw/zinc/72/81/72/906728172.db2.gz VEMISLRVEHNRIV-UHFFFAOYSA-N 1 0 377.492 3.584 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180365537 906756061 /nfs/dbraw/zinc/75/60/61/906756061.db2.gz RRWOESHJSZIYMU-QFIPXVFZSA-N 1 0 388.515 3.763 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1Cn1cccn1 ZINC000180553669 906792725 /nfs/dbraw/zinc/79/27/25/906792725.db2.gz IWGMKZLABUOUDL-KRWDZBQOSA-N 1 0 376.460 3.693 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1Cl ZINC000180875779 906868388 /nfs/dbraw/zinc/86/83/88/906868388.db2.gz QLRZKYCWFWAOQC-FFZUDHDGSA-N 1 0 388.682 3.824 20 30 GHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000180879502 906868534 /nfs/dbraw/zinc/86/85/34/906868534.db2.gz YWSVGUAGPFYEQE-MRXNPFEDSA-N 1 0 390.409 3.743 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181208644 906945444 /nfs/dbraw/zinc/94/54/44/906945444.db2.gz HIWKUMFQKUJSMG-KXBFYZLASA-N 1 0 383.879 3.908 20 30 GHEDRO CC(C)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(C2CC2)no1 ZINC000181960984 907105488 /nfs/dbraw/zinc/10/54/88/907105488.db2.gz RBXNHXZVHUBFAJ-FQEVSTJZSA-N 1 0 379.508 3.770 20 30 GHEDRO CC(C)([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000191695945 907161774 /nfs/dbraw/zinc/16/17/74/907161774.db2.gz AQTSSPXFYOLDAN-UHFFFAOYSA-N 1 0 383.395 3.982 20 30 GHEDRO COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1C#N ZINC001174754962 907208975 /nfs/dbraw/zinc/20/89/75/907208975.db2.gz RHYIKXRTJWIPKF-FQEVSTJZSA-N 1 0 375.472 3.808 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3c(C#N)cnn3-c3ccc(Cl)cc3)cc2)CC1 ZINC001174815560 907214955 /nfs/dbraw/zinc/21/49/55/907214955.db2.gz KCGJWAHXCNJTTB-UHFFFAOYSA-N 1 0 392.894 3.893 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000184354753 907568938 /nfs/dbraw/zinc/56/89/38/907568938.db2.gz HNAMIRNHINGOCW-RTBURBONSA-N 1 0 384.524 3.953 20 30 GHEDRO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)ccc2Br)cn1 ZINC001175650468 907659081 /nfs/dbraw/zinc/65/90/81/907659081.db2.gz GATSIAVJOVWCDO-DODVFSASSA-N 1 0 385.309 3.965 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000185638665 907803497 /nfs/dbraw/zinc/80/34/97/907803497.db2.gz LQBTXQJRMLDXJR-UHFFFAOYSA-N 1 0 386.499 3.947 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185723377 907822984 /nfs/dbraw/zinc/82/29/84/907822984.db2.gz CKODEGHSKFAKON-LEWJYISDSA-N 1 0 396.579 3.793 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000185835503 907841824 /nfs/dbraw/zinc/84/18/24/907841824.db2.gz HCXYYJDYUHEZBK-FQEVSTJZSA-N 1 0 395.494 3.724 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1OCC#N)c1cccc(C(F)(F)F)c1 ZINC000186128265 907881807 /nfs/dbraw/zinc/88/18/07/907881807.db2.gz MPTKMZCHGZXDFD-KRWDZBQOSA-N 1 0 391.393 3.640 20 30 GHEDRO C=CCOc1ccccc1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186269895 907899348 /nfs/dbraw/zinc/89/93/48/907899348.db2.gz IIXCWGVEJVUPQL-UHFFFAOYSA-N 1 0 381.476 3.702 20 30 GHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ncccc2OCCCC#N)c1 ZINC000186439523 907926760 /nfs/dbraw/zinc/92/67/60/907926760.db2.gz ZGKSZSAUNYXVFC-UHFFFAOYSA-N 1 0 381.480 3.538 20 30 GHEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000186697324 907968519 /nfs/dbraw/zinc/96/85/19/907968519.db2.gz PDJXIECCTNDZRB-BBRMVZONSA-N 1 0 376.522 3.647 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)CC1 ZINC000773549440 907970960 /nfs/dbraw/zinc/97/09/60/907970960.db2.gz IUQVLYFWUNOKNM-UHFFFAOYSA-N 1 0 389.471 3.604 20 30 GHEDRO N#Cc1c(Br)cccc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176383809 908062916 /nfs/dbraw/zinc/06/29/16/908062916.db2.gz VKWHWXFGKNVDJR-UHFFFAOYSA-N 1 0 386.293 3.939 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cc(F)c(Br)cc2C#N)cn1 ZINC001176359582 908071869 /nfs/dbraw/zinc/07/18/69/908071869.db2.gz JVTSABYFTNJGEH-UHFFFAOYSA-N 1 0 393.260 3.929 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(F)cc(N4CCCC4)c3)cc2C#N)CC1 ZINC001176418511 908109511 /nfs/dbraw/zinc/10/95/11/908109511.db2.gz FSTQLZUCQBVBDS-UHFFFAOYSA-N 1 0 379.483 3.793 20 30 GHEDRO C=CCC[C@H]1CCC[N@H+]1Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC001176771909 908259127 /nfs/dbraw/zinc/25/91/27/908259127.db2.gz XGMZMPCLQLLYAG-INIZCTEOSA-N 1 0 390.553 3.524 20 30 GHEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(I)cc1C ZINC001176771783 908259724 /nfs/dbraw/zinc/25/97/24/908259724.db2.gz VKFYAHAECIXUHS-HNNXBMFYSA-N 1 0 398.288 3.969 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)C[C@@H]2C1 ZINC000193334484 908272059 /nfs/dbraw/zinc/27/20/59/908272059.db2.gz CQGJMQHHXHBZMG-KDURUIRLSA-N 1 0 385.508 3.668 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1C#N ZINC000773631307 908486711 /nfs/dbraw/zinc/48/67/11/908486711.db2.gz UPMNLEFFZTTXAF-UHFFFAOYSA-N 1 0 385.508 3.790 20 30 GHEDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000190494919 908495124 /nfs/dbraw/zinc/49/51/24/908495124.db2.gz VUMJSZKQDULYLY-LJQANCHMSA-N 1 0 391.519 3.869 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000193792547 908714900 /nfs/dbraw/zinc/71/49/00/908714900.db2.gz YAJHHOVYHJABTM-LJQANCHMSA-N 1 0 394.515 3.684 20 30 GHEDRO C[N@H+](CCCO)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193054992 908847945 /nfs/dbraw/zinc/84/79/45/908847945.db2.gz NQJSEXNWMSFMGO-UHFFFAOYSA-N 1 0 391.559 3.665 20 30 GHEDRO COc1ccc([C@H](CNC(=O)c2ccccc2OCC#N)[NH+]2CCCCC2)cc1 ZINC000194055531 908856736 /nfs/dbraw/zinc/85/67/36/908856736.db2.gz CYSJJLIPJJGYJX-NRFANRHFSA-N 1 0 393.487 3.555 20 30 GHEDRO N#Cc1ccc(CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000194423132 908880194 /nfs/dbraw/zinc/88/01/94/908880194.db2.gz PBLGHJAOJNXFPK-JOCHJYFZSA-N 1 0 388.515 3.754 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)cc1C#N ZINC000266173739 909026123 /nfs/dbraw/zinc/02/61/23/909026123.db2.gz DEFUJLLYXUVHTE-UHFFFAOYSA-N 1 0 384.483 3.814 20 30 GHEDRO C#CCN1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000195726694 909036790 /nfs/dbraw/zinc/03/67/90/909036790.db2.gz HYXKQSCOXWVZCE-ONEGZZNKSA-N 1 0 390.327 3.515 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000779884212 909060409 /nfs/dbraw/zinc/06/04/09/909060409.db2.gz JEHFENITDICBMC-UHFFFAOYSA-N 1 0 395.956 3.535 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001178584515 909107027 /nfs/dbraw/zinc/10/70/27/909107027.db2.gz JRALQVKMSHTMIP-FXAWDEMLSA-N 1 0 375.900 3.686 20 30 GHEDRO COc1cc(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)ccc1C#N ZINC001178648337 909166035 /nfs/dbraw/zinc/16/60/35/909166035.db2.gz ZTSBGIFROFRGMJ-AWEZNQCLSA-N 1 0 387.402 3.502 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000266451772 909170687 /nfs/dbraw/zinc/17/06/87/909170687.db2.gz JRRYIJVOBFCXPU-IAGOWNOFSA-N 1 0 376.460 3.553 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001179039802 909357947 /nfs/dbraw/zinc/35/79/47/909357947.db2.gz ODBNNWPOJPCNEK-SLFFLAALSA-N 1 0 393.531 3.725 20 30 GHEDRO COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)ccc1C#N ZINC001179328399 909490242 /nfs/dbraw/zinc/49/02/42/909490242.db2.gz RBRQUHNICJJHDP-VLQPXKRTSA-N 1 0 385.508 3.833 20 30 GHEDRO N#CC1(NC(=O)/C=C/c2cc(F)cc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001179568082 909581301 /nfs/dbraw/zinc/58/13/01/909581301.db2.gz HSQUPURZWBAIJW-VOTSOKGWSA-N 1 0 381.426 3.653 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)CC1 ZINC000267989149 909725475 /nfs/dbraw/zinc/72/54/75/909725475.db2.gz QPXMISIDUCSITQ-QHCPKHFHSA-N 1 0 376.500 3.637 20 30 GHEDRO C[NH+]1C(C)(C)CC(NC(=O)C2CCN(c3ccccc3C#N)CC2)CC1(C)C ZINC001180505889 910216365 /nfs/dbraw/zinc/21/63/65/910216365.db2.gz IREFSNXBPCBYHV-UHFFFAOYSA-N 1 0 382.552 3.542 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000270105490 910441839 /nfs/dbraw/zinc/44/18/39/910441839.db2.gz HWVXKTYHLHASFQ-RYZVSIALSA-N 1 0 383.439 3.608 20 30 GHEDRO CC1([NH+]2CCOCC2)CCC(Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC001181212420 910637600 /nfs/dbraw/zinc/63/76/00/910637600.db2.gz CVQOJQJCSPADNQ-UHFFFAOYSA-N 1 0 383.414 3.902 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001181436312 910788590 /nfs/dbraw/zinc/78/85/90/910788590.db2.gz PBUPVFTUERXVOI-DOTOQJQBSA-N 1 0 377.435 3.780 20 30 GHEDRO COc1ccc(COCC[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000271542469 910949407 /nfs/dbraw/zinc/94/94/07/910949407.db2.gz PNEBRCGADNOVHM-UHFFFAOYSA-N 1 0 384.476 3.693 20 30 GHEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271686996 911013540 /nfs/dbraw/zinc/01/35/40/911013540.db2.gz QPHRICUNEAKZDS-OXJNMPFZSA-N 1 0 393.487 3.590 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)CC1 ZINC000283084466 911366177 /nfs/dbraw/zinc/36/61/77/911366177.db2.gz LFGLFRHJIUFNRX-UHFFFAOYSA-N 1 0 383.496 3.556 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000247879676 911478350 /nfs/dbraw/zinc/47/83/50/911478350.db2.gz ZVLATPJQLCOBCK-RTBURBONSA-N 1 0 379.504 3.964 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2ccc(OC(F)F)cc2)C(=S)NC2(C)CC2)c1 ZINC000284432658 911865830 /nfs/dbraw/zinc/86/58/30/911865830.db2.gz OVQWHZNISUMVRS-UHFFFAOYSA-O 1 0 391.463 3.965 20 30 GHEDRO CC(C)=CCN1CCC2(CC[NH+](Cc3sc(N)c(C#N)c3Cl)CC2)C1=O ZINC001275014676 912148181 /nfs/dbraw/zinc/14/81/81/912148181.db2.gz OSEGZTSQZZFJCL-UHFFFAOYSA-N 1 0 392.956 3.636 20 30 GHEDRO CCOCc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001187112438 915017689 /nfs/dbraw/zinc/01/76/89/915017689.db2.gz PBEMENMMVYFOSV-UHFFFAOYSA-N 1 0 377.488 3.511 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000291230740 915050393 /nfs/dbraw/zinc/05/03/93/915050393.db2.gz DAPFAETXGAAVJN-UHFFFAOYSA-N 1 0 394.523 3.586 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000303773193 915120755 /nfs/dbraw/zinc/12/07/55/915120755.db2.gz FFTAUBUKXDEKJA-FZKQIMNGSA-N 1 0 397.445 3.500 20 30 GHEDRO N#Cc1cnc(N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC001187380844 915205920 /nfs/dbraw/zinc/20/59/20/915205920.db2.gz WCERONXDZPEWDB-UHFFFAOYSA-N 1 0 391.475 3.744 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cc(Br)cs1)CC2 ZINC001275610220 915291078 /nfs/dbraw/zinc/29/10/78/915291078.db2.gz ACNAKOFFQKPUAL-UHFFFAOYSA-N 1 0 383.355 3.901 20 30 GHEDRO C#Cc1cccc(NC(=O)CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303904020 915305391 /nfs/dbraw/zinc/30/53/91/915305391.db2.gz YOSGQTJJNYYQBX-GFCCVEGCSA-N 1 0 389.286 3.579 20 30 GHEDRO N#Cc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000291775071 915358246 /nfs/dbraw/zinc/35/82/46/915358246.db2.gz ODUUUVNOWRFMKK-HSZRJFAPSA-N 1 0 399.498 3.588 20 30 GHEDRO CC(C)CC(=O)Nc1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000304466465 915516496 /nfs/dbraw/zinc/51/64/96/915516496.db2.gz BSSGSXJOWSBKKC-LJQANCHMSA-N 1 0 380.492 3.599 20 30 GHEDRO CCOc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000304503277 915526532 /nfs/dbraw/zinc/52/65/32/915526532.db2.gz SRVLDQXBQDUJCR-UHFFFAOYSA-N 1 0 397.397 3.597 20 30 GHEDRO [NH2+]=C(NCC(=O)Nc1cccc(F)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000304507654 915526889 /nfs/dbraw/zinc/52/68/89/915526889.db2.gz RQIMZDQISPADHI-UHFFFAOYSA-N 1 0 378.407 3.983 20 30 GHEDRO [NH2+]=C(NCCOc1ccc(C(F)(F)F)cc1)N[C@H]1CCOc2ccccc21 ZINC000304522233 915534336 /nfs/dbraw/zinc/53/43/36/915534336.db2.gz XWKFBEQHKDRZKG-INIZCTEOSA-N 1 0 379.382 3.512 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2cc(F)c(C)cc2F)C(=S)NC2CCC2)cc1 ZINC000292243877 915578369 /nfs/dbraw/zinc/57/83/69/915578369.db2.gz CNWFBGUZHLMBLN-UHFFFAOYSA-O 1 0 375.464 3.950 20 30 GHEDRO [NH2+]=C(NCCCCSc1ccccc1Br)N1CCSCC1 ZINC000304762853 915700515 /nfs/dbraw/zinc/70/05/15/915700515.db2.gz WBNCVESFPCFBCY-UHFFFAOYSA-N 1 0 388.400 3.685 20 30 GHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2c(F)cccc2F)N(C)C)cc1Cl ZINC000304763119 915700954 /nfs/dbraw/zinc/70/09/54/915700954.db2.gz WKTCBXDMNNHOTF-HNNXBMFYSA-N 1 0 382.842 3.656 20 30 GHEDRO CN(Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NCCc1ccccc1 ZINC000304807479 915722750 /nfs/dbraw/zinc/72/27/50/915722750.db2.gz TVHAIPGZSVCFJD-UHFFFAOYSA-N 1 0 376.504 3.559 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)C1 ZINC000292745062 915822871 /nfs/dbraw/zinc/82/28/71/915822871.db2.gz WHIFJOIYIYDHPN-JOCHJYFZSA-N 1 0 376.460 3.910 20 30 GHEDRO N#Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccc(Cl)s4)C3)C2=O)c1 ZINC001275690127 916033214 /nfs/dbraw/zinc/03/32/14/916033214.db2.gz DTJGWYDNLFCMPP-HXUWFJFHSA-N 1 0 385.920 3.898 20 30 GHEDRO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3Cl)CC2)C1=O ZINC001275690337 916036123 /nfs/dbraw/zinc/03/61/23/916036123.db2.gz HNVRZJRQEWRVHH-FQEVSTJZSA-N 1 0 377.891 3.987 20 30 GHEDRO CCOc1ccc(Cl)cc1CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000305295140 916052233 /nfs/dbraw/zinc/05/22/33/916052233.db2.gz JYIMDBGVCOGCBI-UHFFFAOYSA-N 1 0 389.883 3.869 20 30 GHEDRO C=CCn1nnnc1SC[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001188670076 916132452 /nfs/dbraw/zinc/13/24/52/916132452.db2.gz SWFXLCZYLDXDSA-HXUWFJFHSA-N 1 0 379.533 3.867 20 30 GHEDRO COc1ccc(CCNC(=[NH2+])NCC2(c3ccccc3Cl)CC2)cc1OC ZINC000305683555 916237448 /nfs/dbraw/zinc/23/74/48/916237448.db2.gz NSFVEMCNQQULFB-UHFFFAOYSA-N 1 0 387.911 3.536 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3Br)CC2)C1=O ZINC001275721796 916374809 /nfs/dbraw/zinc/37/48/09/916374809.db2.gz HENQHXKMUXGRAT-IBGZPJMESA-N 1 0 395.316 3.979 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C)(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000305841319 916500697 /nfs/dbraw/zinc/50/06/97/916500697.db2.gz ZLBUGTXWEZSPRH-UHFFFAOYSA-N 1 0 386.540 3.939 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC001189219548 916503536 /nfs/dbraw/zinc/50/35/36/916503536.db2.gz OOCGSAIJCXSUBY-UHFFFAOYSA-N 1 0 397.350 3.817 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000293977179 916508310 /nfs/dbraw/zinc/50/83/10/916508310.db2.gz RGPWJJSCEZBQHE-UHFFFAOYSA-N 1 0 381.476 3.726 20 30 GHEDRO C=CCOc1cccnc1C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000775238073 916535609 /nfs/dbraw/zinc/53/56/09/916535609.db2.gz GYPRVUFOVJOJMX-UHFFFAOYSA-N 1 0 382.460 3.730 20 30 GHEDRO C=CCOc1cccnc1C(=O)OC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000775242598 916583284 /nfs/dbraw/zinc/58/32/84/916583284.db2.gz CIEFJBBEIWQFIO-AVRDEDQJSA-N 1 0 396.487 3.895 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2F)CC1 ZINC000294515854 916840843 /nfs/dbraw/zinc/84/08/43/916840843.db2.gz HWSXCBIXLARWQR-JOCHJYFZSA-N 1 0 384.499 3.769 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCc2ccc(I)cc2)c(F)c1 ZINC001203235196 917015356 /nfs/dbraw/zinc/01/53/56/917015356.db2.gz OCAYWAAGMRAAJW-UHFFFAOYSA-N 1 0 380.204 3.634 20 30 GHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295033131 917101713 /nfs/dbraw/zinc/10/17/13/917101713.db2.gz LUZIQVHLKKUREL-FQEVSTJZSA-N 1 0 395.894 3.678 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775356355 917146225 /nfs/dbraw/zinc/14/62/25/917146225.db2.gz IUFIVWICYYJLNO-INIZCTEOSA-N 1 0 383.467 3.540 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(c3ncc(Br)cc3C#N)C1)CCCC2 ZINC000295122857 917154795 /nfs/dbraw/zinc/15/47/95/917154795.db2.gz XAEHKIXRUITFQW-OAHLLOKOSA-N 1 0 386.297 3.551 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796465980 917558022 /nfs/dbraw/zinc/55/80/22/917558022.db2.gz OSLYNQMQDGIDGS-HXUWFJFHSA-N 1 0 393.487 3.705 20 30 GHEDRO C=CCC1(S(=O)(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001190783997 917564147 /nfs/dbraw/zinc/56/41/47/917564147.db2.gz PDSXUBCPCNVUCH-WDSOQIARSA-N 1 0 394.606 3.719 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000796472873 917601218 /nfs/dbraw/zinc/60/12/18/917601218.db2.gz ZAWYJPLTCVFXTR-LIRRHRJNSA-N 1 0 389.293 3.737 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000295962572 917667413 /nfs/dbraw/zinc/66/74/13/917667413.db2.gz NBQJLTAUZUJJOH-NRFANRHFSA-N 1 0 395.551 3.807 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001191367290 917968819 /nfs/dbraw/zinc/96/88/19/917968819.db2.gz MHSBUYHLTRNHHD-FXAWDEMLSA-N 1 0 387.524 3.952 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)Nc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000296594254 918438886 /nfs/dbraw/zinc/43/88/86/918438886.db2.gz JINOQHVLWKURMX-IBGZPJMESA-N 1 0 384.505 3.735 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001192256267 918541831 /nfs/dbraw/zinc/54/18/31/918541831.db2.gz OLVHWFPJSBAPAZ-RTWAWAEBSA-N 1 0 389.499 3.551 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296745753 918676393 /nfs/dbraw/zinc/67/63/93/918676393.db2.gz PHDUQIDXSJITLR-JKSUJKDBSA-N 1 0 396.447 3.589 20 30 GHEDRO Cc1nsc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C#N ZINC000297430052 919325894 /nfs/dbraw/zinc/32/58/94/919325894.db2.gz NDXVLSNIFFRXDA-UHFFFAOYSA-N 1 0 383.521 3.699 20 30 GHEDRO Cc1nsc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C#N ZINC000297516064 919392109 /nfs/dbraw/zinc/39/21/09/919392109.db2.gz WIXWNNFEIPVAFA-ALOPSCKCSA-N 1 0 381.505 3.640 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1snc(C)c1C#N ZINC000297517827 919398243 /nfs/dbraw/zinc/39/82/43/919398243.db2.gz WNCRNLFMTZBITN-QGZVFWFLSA-N 1 0 383.521 3.699 20 30 GHEDRO Cc1ccc(C[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2ccccn2)cc1 ZINC000115606771 919461540 /nfs/dbraw/zinc/46/15/40/919461540.db2.gz QISYIZRIRFEKCF-JZWVFAODSA-N 1 0 378.520 3.706 20 30 GHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000118955130 919599472 /nfs/dbraw/zinc/59/94/72/919599472.db2.gz OWKVNYHVNLPDFP-UHFFFAOYSA-N 1 0 390.487 3.934 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c1C#N ZINC000119676839 919644808 /nfs/dbraw/zinc/64/48/08/919644808.db2.gz OPWVAJRHABIJAK-UHFFFAOYSA-N 1 0 386.540 3.920 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000297725766 919668585 /nfs/dbraw/zinc/66/85/85/919668585.db2.gz NMOPMASINBGRFW-IRLDBZIGSA-N 1 0 399.579 3.703 20 30 GHEDRO COc1ccc([C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)c(OC)c1 ZINC000007741134 919940953 /nfs/dbraw/zinc/94/09/53/919940953.db2.gz OZSBEXJPDPOOEJ-IBGZPJMESA-N 1 0 385.508 3.526 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Br)cc3Cl)C2)C1=O ZINC001275965147 920330165 /nfs/dbraw/zinc/33/01/65/920330165.db2.gz FMKVUOFIYVJTBN-KRWDZBQOSA-N 1 0 383.717 3.713 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)n2cc(C[NH+](C(C)C)C(C)C)nn2)cc1 ZINC000900522108 920367303 /nfs/dbraw/zinc/36/73/03/920367303.db2.gz YRLJQKFAUABLHS-IBGZPJMESA-N 1 0 396.539 3.713 20 30 GHEDRO N#CC1(c2ccccn2)CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000800709572 920381579 /nfs/dbraw/zinc/38/15/79/920381579.db2.gz OADMBKFKSVZFCX-UHFFFAOYSA-N 1 0 397.567 3.695 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(Br)c(C)c3)C2)C1=O ZINC001275976581 920584833 /nfs/dbraw/zinc/58/48/33/920584833.db2.gz FQLSOJUIBAHGEE-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000298675138 920794616 /nfs/dbraw/zinc/79/46/16/920794616.db2.gz YPNXDRCHPQLJJU-JOCHJYFZSA-N 1 0 375.472 3.571 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC000901146911 920868628 /nfs/dbraw/zinc/86/86/28/920868628.db2.gz MMVCJSKSAOSLNU-GOSISDBHSA-N 1 0 394.441 3.717 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1=O ZINC000366960745 921842644 /nfs/dbraw/zinc/84/26/44/921842644.db2.gz HSEGDGQVGSJPAA-QZTJIDSGSA-N 1 0 382.426 3.550 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000367220203 921980466 /nfs/dbraw/zinc/98/04/66/921980466.db2.gz RWCQISLYUJSEQO-OXJNMPFZSA-N 1 0 397.954 3.531 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cccc(C#N)c1 ZINC000902765769 922483187 /nfs/dbraw/zinc/48/31/87/922483187.db2.gz BDTKYZKHLNCIPE-QHCPKHFHSA-N 1 0 379.504 3.510 20 30 GHEDRO CC[C@@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1cccc(C#N)c1 ZINC000902783617 922491551 /nfs/dbraw/zinc/49/15/51/922491551.db2.gz GQVUDVLNQCXLJJ-JOCHJYFZSA-N 1 0 391.515 3.841 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1C ZINC000368147478 922502663 /nfs/dbraw/zinc/50/26/63/922502663.db2.gz KJAORTFJXQKLAC-NRFANRHFSA-N 1 0 376.504 3.510 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000368330614 922602866 /nfs/dbraw/zinc/60/28/66/922602866.db2.gz XDCNALGIKZVLFB-SJORKVTESA-N 1 0 387.549 3.910 20 30 GHEDRO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1cccc(C#N)c1 ZINC000903103425 922775943 /nfs/dbraw/zinc/77/59/43/922775943.db2.gz HUOAJZVWKMZZJX-IPELMVKDSA-N 1 0 385.508 3.671 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903115851 922786245 /nfs/dbraw/zinc/78/62/45/922786245.db2.gz IUDSFMWCMNJFCY-CYBMUJFWSA-N 1 0 398.406 3.733 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC2(CCOCC2)C1 ZINC000903149122 922809862 /nfs/dbraw/zinc/80/98/62/922809862.db2.gz PVROWJVOYCJWKQ-IDYZSHNDSA-N 1 0 391.556 3.855 20 30 GHEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1)c1cc(C#N)ccn1 ZINC000903399866 922991139 /nfs/dbraw/zinc/99/11/39/922991139.db2.gz PRKMKAXZDLJMAW-FTXHTYHOSA-N 1 0 375.394 3.629 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000369203808 923202369 /nfs/dbraw/zinc/20/23/69/923202369.db2.gz CXERHBZWBQZESH-VQIMIIECSA-N 1 0 387.549 3.816 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000369203805 923202506 /nfs/dbraw/zinc/20/25/06/923202506.db2.gz CXERHBZWBQZESH-APWZRJJASA-N 1 0 387.549 3.816 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000369205436 923203977 /nfs/dbraw/zinc/20/39/77/923203977.db2.gz JPEGXSAXHGHEAQ-UHFFFAOYSA-N 1 0 384.524 3.586 20 30 GHEDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000369673139 923535325 /nfs/dbraw/zinc/53/53/25/923535325.db2.gz WIRLXCBIABWQLT-LJQANCHMSA-N 1 0 382.460 4.000 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(OCC#N)cc1 ZINC000369985232 923783736 /nfs/dbraw/zinc/78/37/36/923783736.db2.gz NRZOZGZLQJMYBK-KXBFYZLASA-N 1 0 391.450 3.652 20 30 GHEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000371332256 924530258 /nfs/dbraw/zinc/53/02/58/924530258.db2.gz OBUKCISEUDJJAI-MBSDFSHPSA-N 1 0 383.536 3.981 20 30 GHEDRO CCOc1c(F)cccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371545227 924653994 /nfs/dbraw/zinc/65/39/94/924653994.db2.gz UFMOYWTZAXPZKL-UHFFFAOYSA-N 1 0 381.451 3.513 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1F ZINC000371926911 924997145 /nfs/dbraw/zinc/99/71/45/924997145.db2.gz SNMLVJHHBOPTSJ-INIZCTEOSA-N 1 0 382.483 3.538 20 30 GHEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCOCC1 ZINC000827559643 925811525 /nfs/dbraw/zinc/81/15/25/925811525.db2.gz HRXZOWGFKYZVLV-HAGHYFMRSA-N 1 0 376.541 3.573 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(Br)c(OCCC)c(OC)c1)C1CCOCC1 ZINC000827575677 925824407 /nfs/dbraw/zinc/82/44/07/925824407.db2.gz SAODZWDCAFAOPT-KRWDZBQOSA-N 1 0 396.325 3.765 20 30 GHEDRO COc1c(Cl)cc(C[N@@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)cc1Cl ZINC001276134362 925881897 /nfs/dbraw/zinc/88/18/97/925881897.db2.gz HVDBGTOWPIBGGE-IBGZPJMESA-N 1 0 396.318 3.730 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1)C(C)C ZINC000373371702 926059464 /nfs/dbraw/zinc/05/94/64/926059464.db2.gz ANQCJQPGLTUCEV-GMAHTHKFSA-N 1 0 383.536 3.984 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000411140114 926117409 /nfs/dbraw/zinc/11/74/09/926117409.db2.gz ZMAMZKGSYZTKOO-YTFSRNRJSA-N 1 0 389.499 3.624 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)c1C#N ZINC000133221031 926131578 /nfs/dbraw/zinc/13/15/78/926131578.db2.gz JCMIULFJFVRAQF-UHFFFAOYSA-N 1 0 382.512 3.609 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C[C@@H]3CCOC3)C3CC3)sc2C1 ZINC000411160557 926149661 /nfs/dbraw/zinc/14/96/61/926149661.db2.gz AIVUXCMVPFFKFH-GJZGRUSLSA-N 1 0 387.549 3.574 20 30 GHEDRO C#CC[N@@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccccc1 ZINC000796633476 926372133 /nfs/dbraw/zinc/37/21/33/926372133.db2.gz VAVSLOWFESQCRS-UHFFFAOYSA-N 1 0 386.879 3.821 20 30 GHEDRO COc1ccc2c(c1OC)CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000411425975 926377690 /nfs/dbraw/zinc/37/76/90/926377690.db2.gz OZFBYGMIFNNCNJ-UHFFFAOYSA-N 1 0 399.878 3.616 20 30 GHEDRO COc1cccc(F)c1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411469818 926430093 /nfs/dbraw/zinc/43/00/93/926430093.db2.gz HOAFJCNQSZNBBE-LBPRGKRZSA-N 1 0 387.480 3.936 20 30 GHEDRO CC(C)OC(=O)C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411506051 926459346 /nfs/dbraw/zinc/45/93/46/926459346.db2.gz PITZQGYCFWGTQS-FQEVSTJZSA-N 1 0 379.460 3.559 20 30 GHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411552829 926508447 /nfs/dbraw/zinc/50/84/47/926508447.db2.gz BVZKAIHZIJBDOK-IAOVAPTHSA-N 1 0 375.538 3.620 20 30 GHEDRO C=CC[C@@H]1N(Cc2nnc3n2c2ccccc2c(=O)n3CC)CCCC1(C)C ZINC000411637820 926596292 /nfs/dbraw/zinc/59/62/92/926596292.db2.gz GOVAYLWAMVDPJF-SFHVURJKSA-N 1 0 379.508 3.631 20 30 GHEDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000411732226 926704564 /nfs/dbraw/zinc/70/45/64/926704564.db2.gz DBQSCMAFCONOOQ-GOSISDBHSA-N 1 0 391.924 3.951 20 30 GHEDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000749461368 927116047 /nfs/dbraw/zinc/11/60/47/927116047.db2.gz WNPILLBEKJFKTN-QRFQSNJMSA-N 1 0 398.466 3.548 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000749592513 927205658 /nfs/dbraw/zinc/20/56/58/927205658.db2.gz YLMYGSSPOMIDMS-LAUBAEHRSA-N 1 0 378.476 3.621 20 30 GHEDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)C2)cc1 ZINC000749907126 927342227 /nfs/dbraw/zinc/34/22/27/927342227.db2.gz BKBLENVNZJVRNE-YLJYHZDGSA-N 1 0 398.466 3.722 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000412371056 927386359 /nfs/dbraw/zinc/38/63/59/927386359.db2.gz RNOVIBAYULLLRT-PWRODBHTSA-N 1 0 379.529 3.803 20 30 GHEDRO N#CC1(NC(=O)/C=C/SCc2ccco2)CC[NH+](Cc2ccccc2)CC1 ZINC000374864914 927619398 /nfs/dbraw/zinc/61/93/98/927619398.db2.gz PGNSDNFCBSOPLO-RIYZIHGNSA-N 1 0 381.501 3.701 20 30 GHEDRO COc1ccc(Cl)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374873119 927635748 /nfs/dbraw/zinc/63/57/48/927635748.db2.gz HDPGIJQEQBQQET-UHFFFAOYSA-N 1 0 383.879 3.637 20 30 GHEDRO C=CCc1cc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000750856585 927897992 /nfs/dbraw/zinc/89/79/92/927897992.db2.gz SRCLCDVADILLLB-UHFFFAOYSA-N 1 0 386.536 3.959 20 30 GHEDRO COc1ccc(C(C)N=Nc2nc(-c3ccncc3)no2)cc1C[NH+]1CCCC1 ZINC000750947783 927944543 /nfs/dbraw/zinc/94/45/43/927944543.db2.gz CGBNNQAJEYCXQK-UHFFFAOYSA-N 1 0 392.463 3.572 20 30 GHEDRO C#CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000751001604 927973976 /nfs/dbraw/zinc/97/39/76/927973976.db2.gz BSBIYBOCPZDZFV-RXVVDRJESA-N 1 0 377.488 3.873 20 30 GHEDRO COc1ccc([C@H](CNc2cc(C(F)(F)F)cnc2C#N)[NH+](C)C)cc1OC ZINC000413026955 928119030 /nfs/dbraw/zinc/11/90/30/928119030.db2.gz KNGDAOQKRJJSQD-INIZCTEOSA-N 1 0 394.397 3.704 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(-c2ccccc2)n1 ZINC000375411175 928275351 /nfs/dbraw/zinc/27/53/51/928275351.db2.gz CWCLHAVEXQZEIT-GOSISDBHSA-N 1 0 388.475 3.714 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](C(=O)OC)c2cccc(C#N)c2)cc1)C(C)C ZINC000751655615 928304417 /nfs/dbraw/zinc/30/44/17/928304417.db2.gz BIXAXMQWWUCTHG-OAQYLSRUSA-N 1 0 394.471 3.860 20 30 GHEDRO CCO[C@H]1C[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)C1(CC)CC ZINC000751960021 928513255 /nfs/dbraw/zinc/51/32/55/928513255.db2.gz SAEUURFMUORRFA-PMACEKPBSA-N 1 0 381.524 3.998 20 30 GHEDRO C=CC[C@H](CC)NC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000544034529 928714708 /nfs/dbraw/zinc/71/47/08/928714708.db2.gz DPFBAPOQRKAPFW-KRWDZBQOSA-N 1 0 398.473 3.611 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1C#N ZINC000752295962 928735943 /nfs/dbraw/zinc/73/59/43/928735943.db2.gz YVMIOBNYQHWCBZ-UHFFFAOYSA-N 1 0 389.500 3.757 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000544435082 929177578 /nfs/dbraw/zinc/17/75/78/929177578.db2.gz KGIWCVJIFUYHNU-FUHWJXTLSA-N 1 0 396.535 3.733 20 30 GHEDRO C#C[C@H](CC)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000753248924 929269552 /nfs/dbraw/zinc/26/95/52/929269552.db2.gz UHANSWGLZCWJOH-JQHSSLGASA-N 1 0 381.442 3.799 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](c3ccccc3)c3cncnc3)C2)c(F)c1 ZINC000544567174 929294419 /nfs/dbraw/zinc/29/44/19/929294419.db2.gz QCCHOSOONVQNEY-NFBKMPQASA-N 1 0 387.462 3.835 20 30 GHEDRO CCOc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)ccc1OCc1ccccc1 ZINC000753935672 929599882 /nfs/dbraw/zinc/59/98/82/929599882.db2.gz PFEWWUXDAYYFTP-WOJBJXKFSA-N 1 0 392.503 3.858 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000757196602 929674086 /nfs/dbraw/zinc/67/40/86/929674086.db2.gz WSCICSUFGZPIAB-FQEVSTJZSA-N 1 0 378.520 3.674 20 30 GHEDRO C#CC[C@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000757777976 929796768 /nfs/dbraw/zinc/79/67/68/929796768.db2.gz KUTSUUHIZLEQHN-QFIPXVFZSA-N 1 0 376.504 3.715 20 30 GHEDRO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2Cn2cccc(C#N)c2=O)c1 ZINC000758250781 929987913 /nfs/dbraw/zinc/98/79/13/929987913.db2.gz WLZUKEKKKDFHAD-PKTZIBPZSA-N 1 0 385.467 3.917 20 30 GHEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000758644310 930114849 /nfs/dbraw/zinc/11/48/49/930114849.db2.gz LJVHMZJKSXPQBD-FQEVSTJZSA-N 1 0 389.540 3.725 20 30 GHEDRO C=C[C@H](Cc1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1)c1ccccc1 ZINC000546398898 930125102 /nfs/dbraw/zinc/12/51/02/930125102.db2.gz ZLELXQOHHLSDQN-GOSISDBHSA-N 1 0 389.503 3.786 20 30 GHEDRO CC1=CC[N@H+](CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000546576274 930273316 /nfs/dbraw/zinc/27/33/16/930273316.db2.gz MKVQLXXSMFODGK-UHFFFAOYSA-N 1 0 375.472 3.519 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(CC)CC ZINC000759439928 930368739 /nfs/dbraw/zinc/36/87/39/930368739.db2.gz CZJLDURJGXZTMZ-PWIZWCRZSA-N 1 0 392.503 3.797 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1[NH+](C)C ZINC000546837670 930473880 /nfs/dbraw/zinc/47/38/80/930473880.db2.gz ITUBRHWAAYNPBQ-VQTJNVASSA-N 1 0 396.516 3.860 20 30 GHEDRO CCCN(C(=O)NCc1ccc(C#N)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000780639753 930566039 /nfs/dbraw/zinc/56/60/39/930566039.db2.gz BXEGMKAZOWQYOH-JOCHJYFZSA-N 1 0 391.519 3.539 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000780677427 930574432 /nfs/dbraw/zinc/57/44/32/930574432.db2.gz GNOWOTYBNLWLRJ-LPHOPBHVSA-N 1 0 389.459 3.816 20 30 GHEDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000470673947 930809971 /nfs/dbraw/zinc/80/99/71/930809971.db2.gz RVHWBDAVKPVZFL-UHFFFAOYSA-N 1 0 379.504 3.941 20 30 GHEDRO C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470808060 930929270 /nfs/dbraw/zinc/92/92/70/930929270.db2.gz KZPPNBWHNMBCQY-ROUUACIJSA-N 1 0 377.916 3.692 20 30 GHEDRO Cc1cnn(CCCCC[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000471002109 931087131 /nfs/dbraw/zinc/08/71/31/931087131.db2.gz WIPVUAKOLIXXCD-NRFANRHFSA-N 1 0 385.943 3.898 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000782188101 931113233 /nfs/dbraw/zinc/11/32/33/931113233.db2.gz IBXWAPMNQHAULN-RUDMXATFSA-N 1 0 385.851 3.896 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000924390371 931347876 /nfs/dbraw/zinc/34/78/76/931347876.db2.gz HTYUZGZXWLOJLD-UHFFFAOYSA-N 1 0 384.549 3.643 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000925281338 931729888 /nfs/dbraw/zinc/72/98/88/931729888.db2.gz XKPXHJFXPADVIG-FCGDIQPGSA-N 1 0 391.556 3.853 20 30 GHEDRO CCC1(O)CCC([NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925295156 931733953 /nfs/dbraw/zinc/73/39/53/931733953.db2.gz JNFRPPBWSCNNQN-PDDLGQBUSA-N 1 0 393.572 3.979 20 30 GHEDRO C#CC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000784354370 931866529 /nfs/dbraw/zinc/86/65/29/931866529.db2.gz VVDQLNWGOKVTQW-PKOBYXMFSA-N 1 0 392.268 3.682 20 30 GHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000558164159 931866811 /nfs/dbraw/zinc/86/68/11/931866811.db2.gz RYUKENMEQNIOAQ-UPVQGACJSA-N 1 0 391.515 3.988 20 30 GHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784506027 931916096 /nfs/dbraw/zinc/91/60/96/931916096.db2.gz GCUQBTSKUMUENU-QXAKKESOSA-N 1 0 385.508 3.692 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@@H]21 ZINC000784518600 931922921 /nfs/dbraw/zinc/92/29/21/931922921.db2.gz UHTCPTMKBYCEBG-YZGWKJHDSA-N 1 0 385.508 3.562 20 30 GHEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000558290243 931923215 /nfs/dbraw/zinc/92/32/15/931923215.db2.gz XJAVVURAVSCBGD-QHCPKHFHSA-N 1 0 391.515 3.661 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925916118 931957980 /nfs/dbraw/zinc/95/79/80/931957980.db2.gz OWQIHBFQYYUGFL-OAQYLSRUSA-N 1 0 398.555 3.640 20 30 GHEDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2ccc(CCC#N)cc2)cc1F ZINC000926191975 932077940 /nfs/dbraw/zinc/07/79/40/932077940.db2.gz BRYNOJDWEFKIDF-ICSRJNTNSA-N 1 0 396.466 3.558 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000558635115 932129592 /nfs/dbraw/zinc/12/95/92/932129592.db2.gz YTAPKYAEPOBYDU-NHCUHLMSSA-N 1 0 375.472 3.555 20 30 GHEDRO COC[C@]1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CCCN1C(=O)OC(C)(C)C ZINC000797116039 932189254 /nfs/dbraw/zinc/18/92/54/932189254.db2.gz VXPBKOJWHJMLPM-YCRPNKLZSA-N 1 0 391.487 3.764 20 30 GHEDRO CCc1nc(C)c(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000926477470 932199011 /nfs/dbraw/zinc/19/90/11/932199011.db2.gz RHHLKDCWLRTNNZ-OAHLLOKOSA-N 1 0 390.528 3.955 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558734536 932200405 /nfs/dbraw/zinc/20/04/05/932200405.db2.gz JVYXQUNCBDFCIA-MRXNPFEDSA-N 1 0 387.505 3.734 20 30 GHEDRO COC1CCC([NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000926571660 932231154 /nfs/dbraw/zinc/23/11/54/932231154.db2.gz ZPZTZKFKKUQURA-AOCRQIFASA-N 1 0 379.545 3.853 20 30 GHEDRO COC1([C@H](C)[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000926590984 932239295 /nfs/dbraw/zinc/23/92/95/932239295.db2.gz ASZCWRGJLLKTNI-SJORKVTESA-N 1 0 379.545 3.853 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000797341164 932255984 /nfs/dbraw/zinc/25/59/84/932255984.db2.gz CNYJUEJVCHGVSI-QFIPXVFZSA-N 1 0 392.499 3.975 20 30 GHEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccnn1CC1CCC1 ZINC000926662470 932265807 /nfs/dbraw/zinc/26/58/07/932265807.db2.gz RLXYQDGXAFACDI-GOSISDBHSA-N 1 0 377.536 3.870 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000797419628 932277148 /nfs/dbraw/zinc/27/71/48/932277148.db2.gz DGDLVVUXORNGKW-GOSISDBHSA-N 1 0 380.488 3.614 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc(CC#N)cc2)CCOCC1 ZINC000926782073 932303715 /nfs/dbraw/zinc/30/37/15/932303715.db2.gz PQQQEKSFOXEOHF-UHFFFAOYSA-N 1 0 392.503 3.555 20 30 GHEDRO COCC(C)(C)CC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926822980 932318659 /nfs/dbraw/zinc/31/86/59/932318659.db2.gz QYPZBBCVNNCDSI-KRWDZBQOSA-N 1 0 381.561 3.958 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1ccns1 ZINC000926835891 932322784 /nfs/dbraw/zinc/32/27/84/932322784.db2.gz FPDMHYDPPLDBQE-OAHLLOKOSA-N 1 0 378.542 3.595 20 30 GHEDRO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(-c2cnn(C)c2)c1 ZINC000559056507 932401373 /nfs/dbraw/zinc/40/13/73/932401373.db2.gz MYXQHGBOMMMISX-XMMPIXPASA-N 1 0 385.515 3.778 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c(C#N)c1C ZINC000559339471 932613099 /nfs/dbraw/zinc/61/30/99/932613099.db2.gz MKFXIBOSHYMZAL-KBPBESRZSA-N 1 0 395.438 3.771 20 30 GHEDRO N#Cc1cccc(-n2ccc(C(=O)O[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000798849788 932797743 /nfs/dbraw/zinc/79/77/43/932797743.db2.gz AVVKMPYIVPMYKA-NRFANRHFSA-N 1 0 386.455 3.565 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000798942143 932828416 /nfs/dbraw/zinc/82/84/16/932828416.db2.gz QARWPTVJUQJNTI-HSZRJFAPSA-N 1 0 398.551 3.717 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H](C#N)c2ccccc2Cl)[C@H](C(F)(F)F)C1 ZINC000559806248 932869251 /nfs/dbraw/zinc/86/92/51/932869251.db2.gz MBXHTSAQRSBYSW-UMVBOHGHSA-N 1 0 387.833 3.930 20 30 GHEDRO N#CC1(CCCON=C(N)c2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000799174958 932896894 /nfs/dbraw/zinc/89/68/94/932896894.db2.gz PHKPUXLOBQOGRQ-UHFFFAOYSA-N 1 0 384.524 3.620 20 30 GHEDRO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000799357868 932965917 /nfs/dbraw/zinc/96/59/17/932965917.db2.gz BNJAJFOCPXMKDM-GOSISDBHSA-N 1 0 379.545 3.714 20 30 GHEDRO Cc1ccc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000799377505 932979154 /nfs/dbraw/zinc/97/91/54/932979154.db2.gz OGJZXDFIGGPXHK-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000560494064 933289507 /nfs/dbraw/zinc/28/95/07/933289507.db2.gz VREJAPVVBWEQML-BDTNDASRSA-N 1 0 380.513 3.600 20 30 GHEDRO CC[N@H+](CCCCC1(C#N)CCC1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000929247327 933302839 /nfs/dbraw/zinc/30/28/39/933302839.db2.gz PUWQIKRCTBEELQ-UHFFFAOYSA-N 1 0 398.551 3.648 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000560538728 933326007 /nfs/dbraw/zinc/32/60/07/933326007.db2.gz OCAOKWHIMGIJNT-BAGYTPMASA-N 1 0 377.488 3.828 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccccc1O2 ZINC001116379866 933521785 /nfs/dbraw/zinc/52/17/85/933521785.db2.gz FLNZFOZBNHXGNB-UHFFFAOYSA-N 1 0 379.508 3.837 20 30 GHEDRO C#CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001116386992 933527839 /nfs/dbraw/zinc/52/78/39/933527839.db2.gz SJRCNCHJFKMBJR-HSZRJFAPSA-N 1 0 375.516 3.977 20 30 GHEDRO N#Cc1ccccc1COc1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001116612252 933665120 /nfs/dbraw/zinc/66/51/20/933665120.db2.gz IVEIPFPOBKNOBW-OAQYLSRUSA-N 1 0 386.455 3.996 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000930745984 934215866 /nfs/dbraw/zinc/21/58/66/934215866.db2.gz RMGSJHDOULKSBC-HZCBDIJESA-N 1 0 392.499 3.508 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@@H]1c1ccc(F)cc1 ZINC001119599237 934371756 /nfs/dbraw/zinc/37/17/56/934371756.db2.gz BFHZGVKXFWODAG-OALUTQOASA-N 1 0 388.284 3.995 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000931257269 934465744 /nfs/dbraw/zinc/46/57/44/934465744.db2.gz LNGGRHJTJIDHOQ-AZUAARDMSA-N 1 0 399.535 3.847 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)NCC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC001120748266 934505212 /nfs/dbraw/zinc/50/52/12/934505212.db2.gz LSOZJNHGYNCTBN-KRWDZBQOSA-N 1 0 397.441 3.525 20 30 GHEDRO C=CCn1c(-c2ccco2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121369835 934639566 /nfs/dbraw/zinc/63/95/66/934639566.db2.gz BFZVTMLITHYOMZ-IBGZPJMESA-N 1 0 377.492 3.682 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC001121418169 934651550 /nfs/dbraw/zinc/65/15/50/934651550.db2.gz MPFAMLRANJUSLR-GGPKGHCWSA-N 1 0 380.540 3.712 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121504321 934676944 /nfs/dbraw/zinc/67/69/44/934676944.db2.gz DADWVPOFACBRFY-HXUWFJFHSA-N 1 0 392.551 3.515 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCC3)CC2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001121547460 934693113 /nfs/dbraw/zinc/69/31/13/934693113.db2.gz VFDUKLYBCJXWIR-HSZRJFAPSA-N 1 0 394.567 3.644 20 30 GHEDRO C=CCn1c(-c2ncoc2-c2ccco2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001121657184 934729347 /nfs/dbraw/zinc/72/93/47/934729347.db2.gz FWOXKPZDFLNYAK-MRXNPFEDSA-N 1 0 396.495 3.547 20 30 GHEDRO Cc1ccc(C[C@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 ZINC000562308816 934815846 /nfs/dbraw/zinc/81/58/46/934815846.db2.gz CBCKCBVORUSCJC-OAQYLSRUSA-N 1 0 382.529 3.595 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)CC1 ZINC001122120565 934825789 /nfs/dbraw/zinc/82/57/89/934825789.db2.gz NZAHZMGCANKMCB-UHFFFAOYSA-N 1 0 394.567 3.828 20 30 GHEDRO C=C(C)Cn1c(-c2ccco2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001122421176 934865720 /nfs/dbraw/zinc/86/57/20/934865720.db2.gz LYCGDSMEMYVKFS-UHFFFAOYSA-N 1 0 395.482 3.966 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH+](CC)CC)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001122481877 934879850 /nfs/dbraw/zinc/87/98/50/934879850.db2.gz IFJGOPSBVBHFKL-QFIPXVFZSA-N 1 0 385.556 3.501 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001122602107 934915879 /nfs/dbraw/zinc/91/58/79/934915879.db2.gz MUZUIVJWIVPSGQ-CEWLAPEOSA-N 1 0 395.551 3.630 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN(c2nnc(C3(C#N)CCCC3)n2CC2CC2)CC1 ZINC001123602618 935234729 /nfs/dbraw/zinc/23/47/29/935234729.db2.gz GXDQKIFAZSUFSR-UHFFFAOYSA-N 1 0 396.583 3.868 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc(Br)cc2C#N)c1 ZINC001125161062 935538726 /nfs/dbraw/zinc/53/87/26/935538726.db2.gz RFMOGYZETAFFAV-UHFFFAOYSA-N 1 0 388.265 3.513 20 30 GHEDRO CC1(C(=O)N2CCCC2)CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC001137637940 935653016 /nfs/dbraw/zinc/65/30/16/935653016.db2.gz GAXUQHUKYYTMBI-UHFFFAOYSA-N 1 0 390.325 3.545 20 30 GHEDRO COc1ccc(CN2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)c(C#N)c1 ZINC001137698343 935729914 /nfs/dbraw/zinc/72/99/14/935729914.db2.gz SWDAICZRILWOHD-QFIPXVFZSA-N 1 0 391.471 3.725 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000829517958 935821233 /nfs/dbraw/zinc/82/12/33/935821233.db2.gz ULGFQDRERWNEKX-QHCPKHFHSA-N 1 0 377.463 3.826 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C12CCCC2 ZINC000829629610 935836036 /nfs/dbraw/zinc/83/60/36/935836036.db2.gz IFEABGWBOUJFPA-LSTHTHJFSA-N 1 0 390.487 3.551 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)cc1 ZINC001137899713 935854276 /nfs/dbraw/zinc/85/42/76/935854276.db2.gz DCYPJHNUXREAKV-DEOSSOPVSA-N 1 0 388.515 3.913 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC3(CCC(O)CC3)CC2)cc1C ZINC000830330956 935931593 /nfs/dbraw/zinc/93/15/93/935931593.db2.gz KDBXGTIHJKPISJ-UHFFFAOYSA-N 1 0 383.536 3.567 20 30 GHEDRO N#Cc1ccc(OCCNc2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)cc1 ZINC001171485134 1014964920 /nfs/dbraw/zinc/96/49/20/1014964920.db2.gz CBXGIUOUGVKGSA-IBGZPJMESA-N 1 0 375.476 3.713 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000545294220 1015747078 /nfs/dbraw/zinc/74/70/78/1015747078.db2.gz AWJMKBGOTNDCDB-IRXDYDNUSA-N 1 0 378.476 3.694 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1F ZINC001226824151 1032144287 /nfs/dbraw/zinc/14/42/87/1032144287.db2.gz GMOYRILZKFVUEK-NRFANRHFSA-N 1 0 394.494 3.893 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000924639790 1017001814 /nfs/dbraw/zinc/00/18/14/1017001814.db2.gz MYNLAUJQXSDKSV-QGZVFWFLSA-N 1 0 382.508 3.967 20 30 GHEDRO C#Cc1ccccc1C(=O)NC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001221145706 1032305438 /nfs/dbraw/zinc/30/54/38/1032305438.db2.gz ZMEXUMJLSITRGR-UHFFFAOYSA-N 1 0 386.417 3.781 20 30 GHEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)c(Br)cc1O ZINC001277191380 1032332869 /nfs/dbraw/zinc/33/28/69/1032332869.db2.gz JSUYAKRVMLSEIJ-LJQANCHMSA-N 1 0 393.325 3.606 20 30 GHEDRO COc1cc(CCC(C)=O)ccc1O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001227526687 1032452826 /nfs/dbraw/zinc/45/28/26/1032452826.db2.gz DDLRUVKHOSYTEN-OAQYLSRUSA-N 1 0 378.472 3.742 20 30 GHEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001227842466 1032642652 /nfs/dbraw/zinc/64/26/52/1032642652.db2.gz XMXSDARYDWHABQ-IEGUWTFLSA-N 1 0 388.515 3.850 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000559011648 1017336265 /nfs/dbraw/zinc/33/62/65/1017336265.db2.gz TZIHMBOOFXMTIK-GHTZIAJQSA-N 1 0 395.551 3.686 20 30 GHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000561214159 1017808841 /nfs/dbraw/zinc/80/88/41/1017808841.db2.gz OGWYXCWMPTZERO-UHFFFAOYSA-N 1 0 380.492 3.578 20 30 GHEDRO C[C@]12CN(Cc3ccccc3)C[C@]1(C)C[NH+](CCCC1(C#N)CCOCC1)C2 ZINC000931225484 1017944580 /nfs/dbraw/zinc/94/45/80/1017944580.db2.gz ULOVMPKXZHRCSE-GOTSBHOMSA-N 1 0 381.564 3.931 20 30 GHEDRO Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1-c1ccc(C)cc1 ZINC000562110180 1018044404 /nfs/dbraw/zinc/04/44/04/1018044404.db2.gz AVLNEADGOQNGPW-UHFFFAOYSA-N 1 0 385.515 3.859 20 30 GHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)cc1 ZINC001204299732 1032739765 /nfs/dbraw/zinc/73/97/65/1032739765.db2.gz FMLQEABAYKNSPT-NZQKXSOJSA-N 1 0 398.478 3.988 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932193094 1018140313 /nfs/dbraw/zinc/14/03/13/1018140313.db2.gz CJNZXFZDOVXLFY-INIZCTEOSA-N 1 0 380.517 3.712 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000778087644 1018288202 /nfs/dbraw/zinc/28/82/02/1018288202.db2.gz LEQKQMYBYWKQDT-OAQYLSRUSA-N 1 0 385.471 3.930 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000562569291 1018329020 /nfs/dbraw/zinc/32/90/20/1018329020.db2.gz ATLLYHVJNQWBTL-VUCTXSBTSA-N 1 0 391.313 3.722 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204320993 1032764219 /nfs/dbraw/zinc/76/42/19/1032764219.db2.gz BWUAYNZMYVXTPM-HSZRJFAPSA-N 1 0 383.536 3.897 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000563371062 1018908310 /nfs/dbraw/zinc/90/83/10/1018908310.db2.gz JBNYHXQFDIJMQC-SFHVURJKSA-N 1 0 386.293 3.548 20 30 GHEDRO C=CCOc1cc(C)nc(-n2cc(C3CC[NH2+]CC3)c3cc(OC)ccc32)n1 ZINC001156018536 1032843585 /nfs/dbraw/zinc/84/35/85/1032843585.db2.gz GZRQJYIYCYYELH-UHFFFAOYSA-N 1 0 378.476 3.769 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000571875438 1019723090 /nfs/dbraw/zinc/72/30/90/1019723090.db2.gz RULLZJJFPIETGI-QGZVFWFLSA-N 1 0 397.910 3.983 20 30 GHEDRO C=CCc1cc(OC)c(OC2CCN(c3cc[nH+]cc3)CC2)c(C(=O)OC)c1 ZINC001228245680 1032861322 /nfs/dbraw/zinc/86/13/22/1032861322.db2.gz WDGICHCIDGRCEA-UHFFFAOYSA-N 1 0 382.460 3.653 20 30 GHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000576562621 1020032851 /nfs/dbraw/zinc/03/28/51/1020032851.db2.gz XQWBSLGDKLYRLP-LJQANCHMSA-N 1 0 376.504 3.756 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000577484600 1020207397 /nfs/dbraw/zinc/20/73/97/1020207397.db2.gz LPYZHQRBJDNYEX-SUMWQHHRSA-N 1 0 393.270 3.522 20 30 GHEDRO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)NCc2ccc(CC#N)cc2)c(C)c1 ZINC000577488258 1020209334 /nfs/dbraw/zinc/20/93/34/1020209334.db2.gz RHPNZDHFKXFRMB-JOCHJYFZSA-N 1 0 387.487 3.807 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000577590354 1020262344 /nfs/dbraw/zinc/26/23/44/1020262344.db2.gz LYAYSUFDEJDXKZ-PMACEKPBSA-N 1 0 390.487 3.519 20 30 GHEDRO C#CCCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000779128896 1020392770 /nfs/dbraw/zinc/39/27/70/1020392770.db2.gz QKJFWSIQSROCST-FQEVSTJZSA-N 1 0 377.456 3.851 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000579344294 1020407355 /nfs/dbraw/zinc/40/73/55/1020407355.db2.gz XWKMJHFJJZZLGM-NOZRDPDXSA-N 1 0 394.559 3.702 20 30 GHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)Cc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000579397500 1020411505 /nfs/dbraw/zinc/41/15/05/1020411505.db2.gz TVXBYQUYVLQZOU-GOSISDBHSA-N 1 0 397.544 3.641 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN(C)CC2([NH+](C)C)CCC2)c1=S ZINC000189793626 1020501705 /nfs/dbraw/zinc/50/17/05/1020501705.db2.gz BNIBUQMRYVFOKN-UHFFFAOYSA-N 1 0 385.581 3.564 20 30 GHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634372238 1020949310 /nfs/dbraw/zinc/94/93/10/1020949310.db2.gz LCMJMWZTHFMFKL-UHFFFAOYSA-N 1 0 380.540 3.761 20 30 GHEDRO CCOc1cc(C#N)c(Br)cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001228458348 1032944125 /nfs/dbraw/zinc/94/41/25/1032944125.db2.gz CFWAWVUKOCPFFM-MCBXIFIFSA-N 1 0 379.298 3.829 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001228478135 1032951176 /nfs/dbraw/zinc/95/11/76/1032951176.db2.gz HJAQYVCEFJHPRW-JOCHJYFZSA-N 1 0 376.504 3.610 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCCc2cccc(Br)c2)c1 ZINC000304750343 1021154545 /nfs/dbraw/zinc/15/45/45/1021154545.db2.gz IHFGCUIKILYWIV-UHFFFAOYSA-N 1 0 392.297 3.826 20 30 GHEDRO CNC(=O)c1cccc(CCNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304751067 1021154663 /nfs/dbraw/zinc/15/46/63/1021154663.db2.gz IWZUCWIYFGBZHC-LBPRGKRZSA-N 1 0 393.318 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1 ZINC000834576509 1021277715 /nfs/dbraw/zinc/27/77/15/1021277715.db2.gz YCJNBBXSPSZWHJ-SFTDATJTSA-N 1 0 398.551 3.705 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(-c4ccccn4)cc3)C2)CC1 ZINC001140377539 1021523866 /nfs/dbraw/zinc/52/38/66/1021523866.db2.gz ZZHKTBQLSCMWEZ-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001140389631 1021546772 /nfs/dbraw/zinc/54/67/72/1021546772.db2.gz AGGBSQOSAZHBSU-UHFFFAOYSA-N 1 0 391.519 3.513 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc(-c3ccccc3F)nc1)C2 ZINC001140399674 1021566007 /nfs/dbraw/zinc/56/60/07/1021566007.db2.gz MGXQVVKVVBKDEX-GGAORHGYSA-N 1 0 397.494 3.856 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001140413651 1021614343 /nfs/dbraw/zinc/61/43/43/1021614343.db2.gz GSFMAPGYRZFFJK-QGZVFWFLSA-N 1 0 386.883 3.674 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000834904380 1021655962 /nfs/dbraw/zinc/65/59/62/1021655962.db2.gz PCVOAOAAHYPEQR-QUCCMNQESA-N 1 0 385.508 3.551 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000834910193 1021672347 /nfs/dbraw/zinc/67/23/47/1021672347.db2.gz GGPYXDZAQVRQLS-KQVJYAISSA-N 1 0 399.535 3.616 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(C[NH+]2CCC3(CC2)OCCO3)c2cc(C#N)ccc21 ZINC001140437880 1021707065 /nfs/dbraw/zinc/70/70/65/1021707065.db2.gz RZNGOHSOSUDJFW-UHFFFAOYSA-N 1 0 397.475 3.635 20 30 GHEDRO CC(C)(C)OC(=O)n1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001140439009 1021710166 /nfs/dbraw/zinc/71/01/66/1021710166.db2.gz UEXCAKPYRSQZKU-SFHVURJKSA-N 1 0 380.492 3.576 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000835068301 1021855269 /nfs/dbraw/zinc/85/52/69/1021855269.db2.gz DZTRLBCVCGVYRV-LEWJYISDSA-N 1 0 399.535 3.843 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]2C1 ZINC001140600534 1022045691 /nfs/dbraw/zinc/04/56/91/1022045691.db2.gz NNRYNEJWMKHRJU-NVXWUHKLSA-N 1 0 375.900 3.900 20 30 GHEDRO C[NH+]1CCN(Cc2ccc(Nc3cnc(C#N)c(F)c3)cc2C(F)(F)F)CC1 ZINC001203059544 1022356993 /nfs/dbraw/zinc/35/69/93/1022356993.db2.gz CRSITXHZZSOUJW-UHFFFAOYSA-N 1 0 393.388 3.602 20 30 GHEDRO N#Cc1c(F)cc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)cc1F ZINC001140752081 1022433399 /nfs/dbraw/zinc/43/33/99/1022433399.db2.gz LTSSZAUUEWCYCS-SFHVURJKSA-N 1 0 390.474 3.882 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3cccc(C#N)c3Cl)C2)C1 ZINC001140812180 1022602259 /nfs/dbraw/zinc/60/22/59/1022602259.db2.gz OOZNVHYAAZPEIX-OAHLLOKOSA-N 1 0 375.900 3.900 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1Cl ZINC001140813416 1022609903 /nfs/dbraw/zinc/60/99/03/1022609903.db2.gz HXPGHFFAVYROQN-UHFFFAOYSA-N 1 0 394.906 3.764 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Br)cc3C)C2)C1=O ZINC001140815686 1022614040 /nfs/dbraw/zinc/61/40/40/1022614040.db2.gz GIJMVPABDHLJGL-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CCO)c2cccs2)sc2c1CCCC2 ZINC000754387774 1022664410 /nfs/dbraw/zinc/66/44/10/1022664410.db2.gz YGGLMHLKRGMBPR-OAHLLOKOSA-N 1 0 389.546 3.602 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN(Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140882349 1022786822 /nfs/dbraw/zinc/78/68/22/1022786822.db2.gz WVVQMPXBFKLFHI-LBPRGKRZSA-N 1 0 378.341 3.860 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+](Cc2ccc(C(=O)NC)cc2)C2CC2)c1O ZINC000754723485 1022859138 /nfs/dbraw/zinc/85/91/38/1022859138.db2.gz MDULCQJULSEITQ-UHFFFAOYSA-N 1 0 380.488 3.654 20 30 GHEDRO C=CCc1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c(O)c(OC)c1 ZINC000754725941 1022860758 /nfs/dbraw/zinc/86/07/58/1022860758.db2.gz HJNNAVJHSUNNBJ-IBGZPJMESA-N 1 0 384.451 3.506 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754727273 1022861645 /nfs/dbraw/zinc/86/16/45/1022861645.db2.gz VSIUVCDNFDVNGO-KRWDZBQOSA-N 1 0 390.524 3.818 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc(F)cc2OCC#N)CCC1 ZINC000836456364 1022988390 /nfs/dbraw/zinc/98/83/90/1022988390.db2.gz MVFARUPOIWAWRX-UHFFFAOYSA-N 1 0 396.466 3.904 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000756046258 1023494971 /nfs/dbraw/zinc/49/49/71/1023494971.db2.gz OAUCQENNJMNCDH-UNMCSNQZSA-N 1 0 375.476 3.625 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCCN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107221 1023515935 /nfs/dbraw/zinc/51/59/35/1023515935.db2.gz UKGSMBCBWCDGGB-NSHDSACASA-N 1 0 384.933 3.735 20 30 GHEDRO N#Cc1c(N)sc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1Cl ZINC001141114752 1023532832 /nfs/dbraw/zinc/53/28/32/1023532832.db2.gz VZSGYGNJLPYBOY-UHFFFAOYSA-N 1 0 386.952 3.878 20 30 GHEDRO Cc1csc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1C#N ZINC001204888210 1033147197 /nfs/dbraw/zinc/14/71/97/1033147197.db2.gz DGYMHMFAYKGERA-UHFFFAOYSA-N 1 0 378.567 3.801 20 30 GHEDRO CCCc1cc(C#N)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1Cl ZINC001156657566 1033161698 /nfs/dbraw/zinc/16/16/98/1033161698.db2.gz NRGWNMQQBGAELU-UHFFFAOYSA-N 1 0 383.927 3.923 20 30 GHEDRO C#CC[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000757028344 1023912037 /nfs/dbraw/zinc/91/20/37/1023912037.db2.gz YNAHXWYBAFRFSY-HSZRJFAPSA-N 1 0 391.515 3.725 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC001156672063 1033172446 /nfs/dbraw/zinc/17/24/46/1033172446.db2.gz DVXOLYQVXVCUJZ-UHFFFAOYSA-N 1 0 397.210 3.585 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccnc3ccc(OC)cc13)C2 ZINC001141148086 1023969276 /nfs/dbraw/zinc/96/92/76/1023969276.db2.gz KFLUKSUQBLAWMA-DHIUTWEWSA-N 1 0 382.504 3.817 20 30 GHEDRO N#Cc1cc(F)ccc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001141165926 1023995414 /nfs/dbraw/zinc/99/54/14/1023995414.db2.gz PPUPDWDMHKMSGV-VWNXMTODSA-N 1 0 397.538 3.658 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001141187673 1024050854 /nfs/dbraw/zinc/05/08/54/1024050854.db2.gz AOWBMNAEJGHNNL-GMAHTHKFSA-N 1 0 379.504 3.717 20 30 GHEDRO CCCC[C@@H](ON=C(C)C)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837184510 1024198785 /nfs/dbraw/zinc/19/87/85/1024198785.db2.gz XRLHMUSCKYMNIB-MRXNPFEDSA-N 1 0 379.467 3.833 20 30 GHEDRO CN(C)C(=O)NC1CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141295919 1024433296 /nfs/dbraw/zinc/43/32/96/1024433296.db2.gz OVVMUXBOOKNSLF-UHFFFAOYSA-N 1 0 378.476 3.586 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3c(cc1Cl)OCO3)[C@@H]2CC ZINC001138241031 1024447114 /nfs/dbraw/zinc/44/71/14/1024447114.db2.gz OSROHAQBUAMUNE-CTNGQTDRSA-N 1 0 390.911 3.990 20 30 GHEDRO N#Cc1cccc([N+](=O)[O-])c1COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000837540343 1024535973 /nfs/dbraw/zinc/53/59/73/1024535973.db2.gz VIRPQNAGWFVSLN-QGZVFWFLSA-N 1 0 397.406 3.561 20 30 GHEDRO COc1cc2nc(O[C@H](CC#N)C[N+](C)(C)C)cc(C(F)(F)F)c2cc1OC ZINC001229005388 1033226372 /nfs/dbraw/zinc/22/63/72/1033226372.db2.gz GZDTXPNBOVHGAO-GFCCVEGCSA-N 1 0 398.405 3.638 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)CCCN3C)[C@H]2CC ZINC001138355335 1024717805 /nfs/dbraw/zinc/71/78/05/1024717805.db2.gz ODXFURANMNEOJP-UPVQGACJSA-N 1 0 381.564 3.991 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC3CCOCC3)cc1)C2 ZINC001141410296 1024923831 /nfs/dbraw/zinc/92/38/31/1024923831.db2.gz HGRNPIWSVPYTIK-DHIUTWEWSA-N 1 0 387.520 3.571 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000831893933 1024982833 /nfs/dbraw/zinc/98/28/33/1024982833.db2.gz JZMLXFVRMYOYAY-UYAOXDASSA-N 1 0 377.488 3.871 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCCN(C(=O)OCC=C)C3)CC2)cc1 ZINC001138554887 1025010484 /nfs/dbraw/zinc/01/04/84/1025010484.db2.gz GRQPJMMTVHIUFG-UHFFFAOYSA-N 1 0 382.504 3.699 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)cc1 ZINC001138556159 1025015522 /nfs/dbraw/zinc/01/55/22/1025015522.db2.gz IIBNJCJSUAOGEB-QHCPKHFHSA-N 1 0 390.483 3.857 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC001138623371 1025121627 /nfs/dbraw/zinc/12/16/27/1025121627.db2.gz YBMXZZUMYPAIEE-UNMCSNQZSA-N 1 0 381.476 3.595 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CCc3c(c(COCC)nn3CC3CC3)C2)c1O ZINC001138626306 1025126044 /nfs/dbraw/zinc/12/60/44/1025126044.db2.gz FDRDPDYHBXKQPV-UHFFFAOYSA-N 1 0 381.520 3.822 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001138628696 1025129545 /nfs/dbraw/zinc/12/95/45/1025129545.db2.gz YTXNNAQZRXSZRG-OAQYLSRUSA-N 1 0 376.500 3.617 20 30 GHEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC001138662291 1025182344 /nfs/dbraw/zinc/18/23/44/1025182344.db2.gz SLZVBPGJAPNREQ-FQEVSTJZSA-N 1 0 381.520 3.914 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000838624006 1025244167 /nfs/dbraw/zinc/24/41/67/1025244167.db2.gz BQZWRAIYMRKDPH-UHFFFAOYSA-N 1 0 393.491 3.716 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCC(O)CC2)C1 ZINC001138763081 1025320045 /nfs/dbraw/zinc/32/00/45/1025320045.db2.gz SHMGUTZAWKCLPT-JOCHJYFZSA-N 1 0 391.515 3.563 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832248173 1025368893 /nfs/dbraw/zinc/36/88/93/1025368893.db2.gz DCOBPHZFNOVICG-UHFFFAOYSA-N 1 0 380.492 3.731 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccnc(Cl)c4)C3)C2)c1 ZINC001138820647 1025422345 /nfs/dbraw/zinc/42/23/45/1025422345.db2.gz QIGIOWCRJSPPFC-QFIPXVFZSA-N 1 0 396.922 3.726 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000832303324 1025427905 /nfs/dbraw/zinc/42/79/05/1025427905.db2.gz YXFNVUWPEZOUHF-KRWDZBQOSA-N 1 0 379.357 3.749 20 30 GHEDRO CC(C)(CC#N)CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000838909917 1025436198 /nfs/dbraw/zinc/43/61/98/1025436198.db2.gz WFMCVTFWYCFVRJ-UHFFFAOYSA-N 1 0 399.539 3.953 20 30 GHEDRO COc1ccc(C)cc1NC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001202871245 1025465111 /nfs/dbraw/zinc/46/51/11/1025465111.db2.gz BIDBYGRAUGJRER-UHFFFAOYSA-N 1 0 378.476 3.684 20 30 GHEDRO N#Cc1cc([N+](=O)[O-])cnc1NCC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001161992133 1025526003 /nfs/dbraw/zinc/52/60/03/1025526003.db2.gz GQZLZHVUFYZDPP-UHFFFAOYSA-N 1 0 385.855 3.539 20 30 GHEDRO N#CCC(=O)Nc1nc2ccccc2nc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162004836 1025533574 /nfs/dbraw/zinc/53/35/74/1025533574.db2.gz IOGNOJMGDRHCQS-UHFFFAOYSA-N 1 0 396.454 3.732 20 30 GHEDRO CC[C@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001141569892 1025599777 /nfs/dbraw/zinc/59/97/77/1025599777.db2.gz UOWPIZCDBHWSKB-FYYLOGMGSA-N 1 0 375.516 3.712 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000839101302 1025603554 /nfs/dbraw/zinc/60/35/54/1025603554.db2.gz VYYIPVWAMCVBIQ-VXKWHMMOSA-N 1 0 398.547 3.822 20 30 GHEDRO CCOC(=O)c1cc(C)nc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1C#N ZINC001162185875 1025655500 /nfs/dbraw/zinc/65/55/00/1025655500.db2.gz BTONFNUTOLIAHA-IYARVYRRSA-N 1 0 384.524 3.705 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC001141581181 1025690975 /nfs/dbraw/zinc/69/09/75/1025690975.db2.gz UNTGGGNUWGDOOK-UHFFFAOYSA-N 1 0 391.334 3.863 20 30 GHEDRO N#Cc1c2c(cnc1NCCCP(CCC[NH3+])c1ccccc1)CCCC2 ZINC001162468801 1025760336 /nfs/dbraw/zinc/76/03/36/1025760336.db2.gz CWMFDSGEYYJTDD-UHFFFAOYSA-N 1 0 380.476 3.790 20 30 GHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC001139033039 1025806176 /nfs/dbraw/zinc/80/61/76/1025806176.db2.gz ZIBZIBSMGAMRAU-JOCHJYFZSA-N 1 0 397.544 3.641 20 30 GHEDRO Cc1ccc2c(c1)[C@H](Nc1nc(Cl)nc(Cl)c1C#N)CC21CC[NH2+]CC1 ZINC001163023353 1026010897 /nfs/dbraw/zinc/01/08/97/1026010897.db2.gz DENRJGJPMUAPLY-OAHLLOKOSA-N 1 0 388.302 3.564 20 30 GHEDRO CCOC(=O)c1cnc(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c(C#N)c1 ZINC001163034730 1026018112 /nfs/dbraw/zinc/01/81/12/1026018112.db2.gz VPPMSEJMUZNHRV-FQEVSTJZSA-N 1 0 390.487 3.617 20 30 GHEDRO Cc1ccc2nc(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)c(C#N)c(Cl)c2c1 ZINC001163135865 1026062545 /nfs/dbraw/zinc/06/25/45/1026062545.db2.gz OWJVXPONYYKKEM-UHFFFAOYSA-N 1 0 379.895 3.614 20 30 GHEDRO N#C[C@@H](c1ccc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)nn1)c1ccccc1F ZINC001163218755 1026091690 /nfs/dbraw/zinc/09/16/90/1026091690.db2.gz RAWLKQGDUHBWSZ-GOSISDBHSA-N 1 0 384.418 3.583 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000839624254 1026128709 /nfs/dbraw/zinc/12/87/09/1026128709.db2.gz DUFYWSVNJPUPDS-INIZCTEOSA-N 1 0 378.501 3.585 20 30 GHEDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nc(-c3ccc(F)cc3)ccc2C#N)cc1 ZINC001163461701 1026202378 /nfs/dbraw/zinc/20/23/78/1026202378.db2.gz HZCLGWYHIWUANC-LJQANCHMSA-N 1 0 390.418 3.658 20 30 GHEDRO CCOC(=O)c1cc(NC(C)=NCc2cccc(C[NH3+])c2)nc2ccccc21 ZINC001163471888 1026207271 /nfs/dbraw/zinc/20/72/71/1026207271.db2.gz MAXBGSYBADENJE-UHFFFAOYSA-N 1 0 376.460 3.901 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001163474425 1026207509 /nfs/dbraw/zinc/20/75/09/1026207509.db2.gz FXOPULCFQGIEIK-UHFFFAOYSA-N 1 0 384.827 3.681 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)nc2)C1 ZINC001139345762 1026211436 /nfs/dbraw/zinc/21/14/36/1026211436.db2.gz ZFBLXZXPEIAJHM-NRFANRHFSA-N 1 0 376.504 3.987 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1)[C@H]2CC ZINC001139358453 1026231769 /nfs/dbraw/zinc/23/17/69/1026231769.db2.gz MYAFOJOKYFDZEU-GMAHTHKFSA-N 1 0 378.520 3.794 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)c1ccccc1 ZINC001163652035 1026266834 /nfs/dbraw/zinc/26/68/34/1026266834.db2.gz ISEIVBFNYQKWOD-DHIUTWEWSA-N 1 0 390.531 3.678 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)cc2)c1 ZINC001139402901 1026274712 /nfs/dbraw/zinc/27/47/12/1026274712.db2.gz AHZKFSHUVDKFIO-VWNXMTODSA-N 1 0 389.499 3.780 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)Cc2ccccc21 ZINC001139406041 1026278308 /nfs/dbraw/zinc/27/83/08/1026278308.db2.gz KIISOUDUNHHABM-QFIPXVFZSA-N 1 0 383.451 3.893 20 30 GHEDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406951 1026279919 /nfs/dbraw/zinc/27/99/19/1026279919.db2.gz KLIOBVFHGGIEEY-UHFFFAOYSA-N 1 0 375.428 3.779 20 30 GHEDRO COC1CC[NH+](C2CCN(Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)CC1 ZINC001139406648 1026280867 /nfs/dbraw/zinc/28/08/67/1026280867.db2.gz YHOLSZMFFCEGBT-UHFFFAOYSA-N 1 0 390.531 3.695 20 30 GHEDRO COc1ccc(-n2ccc(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)cc2=O)cc1 ZINC001163685652 1026282516 /nfs/dbraw/zinc/28/25/16/1026282516.db2.gz QMRBZBOWFQIYIF-UHFFFAOYSA-N 1 0 387.361 3.902 20 30 GHEDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1C ZINC001139425537 1026296882 /nfs/dbraw/zinc/29/68/82/1026296882.db2.gz RCBPWTIDITZPQU-UZLBHIALSA-N 1 0 379.460 3.909 20 30 GHEDRO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(-c4ccccc4)nc3)C2)CC1 ZINC001139520985 1026378449 /nfs/dbraw/zinc/37/84/49/1026378449.db2.gz WAKNTGBHFZPMAF-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1F ZINC001139528034 1026386057 /nfs/dbraw/zinc/38/60/57/1026386057.db2.gz LODYHOCATZNSDV-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1F ZINC001139528733 1026386780 /nfs/dbraw/zinc/38/67/80/1026386780.db2.gz UZRZUWJFOSXZKP-HSZRJFAPSA-N 1 0 375.447 3.598 20 30 GHEDRO N#Cc1cccc2c(CN3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)c[nH]c21 ZINC001139702711 1026547584 /nfs/dbraw/zinc/54/75/84/1026547584.db2.gz FTBAEDMOKGXSJV-QZNHQXDQSA-N 1 0 379.504 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001139706283 1026550903 /nfs/dbraw/zinc/55/09/03/1026550903.db2.gz PVKSGWBAYLUBJU-HGKCTWBKSA-N 1 0 380.492 3.775 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@H]12 ZINC001139705533 1026551084 /nfs/dbraw/zinc/55/10/84/1026551084.db2.gz UHTVBNDUCKEMRI-ZCYQVOJMSA-N 1 0 398.510 3.804 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC(n4cc(Br)cn4)CC3)c[nH]c21 ZINC001139707829 1026552430 /nfs/dbraw/zinc/55/24/30/1026552430.db2.gz VHSKJIQANJIGBQ-UHFFFAOYSA-N 1 0 384.281 3.836 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cccc(C(=O)OC)c13)C2 ZINC001139718668 1026561890 /nfs/dbraw/zinc/56/18/90/1026561890.db2.gz ICPMRDDCRMQWGI-NZQKXSOJSA-N 1 0 398.503 3.528 20 30 GHEDRO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CCC[C@H](Oc4ccccc4C#N)C3)c21 ZINC001139720966 1026563068 /nfs/dbraw/zinc/56/30/68/1026563068.db2.gz SYCKIURIRKMAFV-SFHVURJKSA-N 1 0 389.455 3.870 20 30 GHEDRO Cc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)cc1C#N ZINC001139724874 1026568895 /nfs/dbraw/zinc/56/88/95/1026568895.db2.gz SWZJJKLAVVFGAO-RTBURBONSA-N 1 0 387.499 3.942 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC(C4CC[NH+](C)CC4)CC3)nn2)cc1 ZINC001165065467 1026584002 /nfs/dbraw/zinc/58/40/02/1026584002.db2.gz HZPLZVFJPFYSAO-JOCHJYFZSA-N 1 0 389.547 3.999 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]2CF)CC1 ZINC001139877449 1026693461 /nfs/dbraw/zinc/69/34/61/1026693461.db2.gz KHNBKDWDAKCKAL-WMZOPIPTSA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1cc(F)cc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC001139879307 1026695939 /nfs/dbraw/zinc/69/59/39/1026695939.db2.gz JOTIRBGMLLKJHW-UHFFFAOYSA-N 1 0 385.870 3.879 20 30 GHEDRO N#Cc1cnc(Cl)cc1N(c1cccc(F)c1)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001165476583 1026738598 /nfs/dbraw/zinc/73/85/98/1026738598.db2.gz CFNKACPBLHQLJT-PXNSSMCTSA-N 1 0 386.858 3.795 20 30 GHEDRO CC(C)(Nc1cccc(NC(=O)NC2CC[NH2+]CC2)c1)c1ccc(C#N)cc1 ZINC001165759851 1026823803 /nfs/dbraw/zinc/82/38/03/1026823803.db2.gz FZVUCUFHTMCHBD-UHFFFAOYSA-N 1 0 377.492 3.779 20 30 GHEDRO CC(C)COC[C@H]1CN(Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001140112475 1026893497 /nfs/dbraw/zinc/89/34/97/1026893497.db2.gz MEBAIQHMJHPNEY-GOSISDBHSA-N 1 0 377.492 3.545 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4c[nH]c5ccc(C#N)cc45)C3)C2=O)c1 ZINC001140113486 1026894608 /nfs/dbraw/zinc/89/46/08/1026894608.db2.gz GRBVUMNOSWHEBE-VWLOTQADSA-N 1 0 398.510 3.973 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H]4O[C@H](COc5cccnc5)CC[C@H]43)c2c1 ZINC001140114154 1026895494 /nfs/dbraw/zinc/89/54/94/1026895494.db2.gz QOLQDXGFEOIOQU-WWPVKYPJSA-N 1 0 388.471 3.635 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3ccc(C#N)cc3F)C1)C2 ZINC001140140330 1026914262 /nfs/dbraw/zinc/91/42/62/1026914262.db2.gz RDKGZTXEFPWRSW-AUSIDOKSSA-N 1 0 378.447 3.792 20 30 GHEDRO Cc1nc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)c(C#N)c(C)c1Cl ZINC001166296945 1026966234 /nfs/dbraw/zinc/96/62/34/1026966234.db2.gz CKGZBCAWCSEIHO-VPWXQRGCSA-N 1 0 397.910 3.524 20 30 GHEDRO CN(C)[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)c1c(F)cccc1F ZINC001461222653 1069449336 /nfs/dbraw/zinc/44/93/36/1069449336.db2.gz NTHJREXSFBBKPN-QGZVFWFLSA-N 1 0 394.263 3.991 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OC)cc3OC)C2)CC1 ZINC001203471981 1027363436 /nfs/dbraw/zinc/36/34/36/1027363436.db2.gz RTVCTBAXKUJKFP-UHFFFAOYSA-N 1 0 388.508 3.704 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNc2cc[nH+]c3cc(OC)c(OC)cc23)c1 ZINC000840261933 1027389906 /nfs/dbraw/zinc/38/99/06/1027389906.db2.gz AKDPXCCOWZJKHJ-INIZCTEOSA-N 1 0 377.444 3.967 20 30 GHEDRO N#Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)c1 ZINC001203760831 1027583964 /nfs/dbraw/zinc/58/39/64/1027583964.db2.gz PHGXLOMHDDUEQS-UNMCSNQZSA-N 1 0 381.451 3.542 20 30 GHEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001203762602 1027585887 /nfs/dbraw/zinc/58/58/87/1027585887.db2.gz LRTWHFFWDYFVAZ-HNNXBMFYSA-N 1 0 399.516 3.954 20 30 GHEDRO CSc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141932093 1027691844 /nfs/dbraw/zinc/69/18/44/1027691844.db2.gz SKPSFMCSMNVJGK-INIZCTEOSA-N 1 0 376.526 3.506 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cc1 ZINC001203899770 1027692743 /nfs/dbraw/zinc/69/27/43/1027692743.db2.gz AVSKPDGKVKUBOG-UHFFFAOYSA-N 1 0 386.503 3.581 20 30 GHEDRO CC1(C[NH2+]Cc2cc(C#N)ccc2Br)CCC2(CC1)OCCO2 ZINC001203916236 1027705054 /nfs/dbraw/zinc/70/50/54/1027705054.db2.gz GNZASSNURKDTSZ-UHFFFAOYSA-N 1 0 379.298 3.734 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001210950311 1027715549 /nfs/dbraw/zinc/71/55/49/1027715549.db2.gz AWZLXACQJPFQIW-XZOQPEGZSA-N 1 0 398.595 3.758 20 30 GHEDRO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2cccc(C[NH2+]C)c2)c1 ZINC001211142235 1027808057 /nfs/dbraw/zinc/80/80/57/1027808057.db2.gz MXJASKCDAGBNTM-RUMRUAAYSA-N 1 0 389.499 3.598 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(Br)cc1 ZINC001211287599 1027891304 /nfs/dbraw/zinc/89/13/04/1027891304.db2.gz WJJJLTCSKOIPIQ-VKJFTORMSA-N 1 0 392.341 3.543 20 30 GHEDRO C=CCC[C@@H]1NC(=O)N(c2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1=O ZINC000840898377 1027931623 /nfs/dbraw/zinc/93/16/23/1027931623.db2.gz DOYRNPHVAHXMIP-RTWAWAEBSA-N 1 0 399.535 3.857 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000840959025 1027991906 /nfs/dbraw/zinc/99/19/06/1027991906.db2.gz OLWVRXORVRATQZ-AUUYWEPGSA-N 1 0 389.293 3.905 20 30 GHEDRO C=CCOc1cccnc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001461312689 1069494673 /nfs/dbraw/zinc/49/46/73/1069494673.db2.gz PIMVNEIFIHGYSK-IPMKNSEASA-N 1 0 379.504 3.770 20 30 GHEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000840972824 1028007312 /nfs/dbraw/zinc/00/73/12/1028007312.db2.gz VHPBFJADFGWQKA-QHCPKHFHSA-N 1 0 379.500 3.709 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000840979596 1028017754 /nfs/dbraw/zinc/01/77/54/1028017754.db2.gz XPGRZNYQPMJPNL-VGOFRKELSA-N 1 0 385.508 3.953 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(Cl)n1 ZINC001142130724 1028213717 /nfs/dbraw/zinc/21/37/17/1028213717.db2.gz CVRBSKVJZWYGIH-NRFANRHFSA-N 1 0 380.879 3.544 20 30 GHEDRO C[NH+](C)CCn1ncc(C(=O)O[C@H]2CC[C@@](C)(C#N)CC2)c1-c1ccccc1 ZINC000841254566 1028341669 /nfs/dbraw/zinc/34/16/69/1028341669.db2.gz QAJDQTNXJSIOMD-CXGRPWHSSA-N 1 0 380.492 3.741 20 30 GHEDRO CC1(C)CC[N@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC001214630672 1028826159 /nfs/dbraw/zinc/82/61/59/1028826159.db2.gz YIHPYUQIIJHMRG-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO C[C@H](C#N)c1cccc(-c2nc(-c3cccc(CN4CC[NH+](C)CC4)c3)no2)c1 ZINC001215350015 1029167625 /nfs/dbraw/zinc/16/76/25/1029167625.db2.gz GCVKMSZDDWAVPB-QGZVFWFLSA-N 1 0 387.487 3.778 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000842632958 1029438415 /nfs/dbraw/zinc/43/84/15/1029438415.db2.gz ODPHHQUOIVCYKP-UHFFFAOYSA-N 1 0 395.507 3.527 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000842885711 1029662163 /nfs/dbraw/zinc/66/21/63/1029662163.db2.gz QTQRLBSJIGZHLF-PCCBWWKXSA-N 1 0 399.535 3.647 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CCN(C(=O)c5cccnc5)C4)CC3)c[nH]c2c1 ZINC001142916918 1029689461 /nfs/dbraw/zinc/68/94/61/1029689461.db2.gz LEGFCXFFXRMVAY-UHFFFAOYSA-N 1 0 399.498 3.563 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CCC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c[nH]c2c1 ZINC001142917194 1029690086 /nfs/dbraw/zinc/69/00/86/1029690086.db2.gz VVKONGLLJMFSFS-NZQKXSOJSA-N 1 0 388.471 3.637 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@H]4[C@@H](CCN4Cc4nccs4)C3)c[nH]c2c1 ZINC001142928593 1029709304 /nfs/dbraw/zinc/70/93/04/1029709304.db2.gz DKYPPSHKRPAMMX-JXFKEZNVSA-N 1 0 377.517 3.592 20 30 GHEDRO C[N@@H+]1C[C@@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000843282935 1029884379 /nfs/dbraw/zinc/88/43/79/1029884379.db2.gz GKTZXFUDCXUMLS-AEFFLSMTSA-N 1 0 384.936 3.843 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)CC1 ZINC001216942874 1030015268 /nfs/dbraw/zinc/01/52/68/1030015268.db2.gz XUNAVRUISDBMLP-UHFFFAOYSA-N 1 0 382.533 3.570 20 30 GHEDRO CCc1cc(-c2nc(-c3cccc(CN4CC[NH+](C)CC4)c3)no2)ccc1C#N ZINC001217088152 1030151953 /nfs/dbraw/zinc/15/19/53/1030151953.db2.gz AILJJIHKYAZVSY-UHFFFAOYSA-N 1 0 387.487 3.585 20 30 GHEDRO N#Cc1ccc(CN2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(Br)c1 ZINC001222602609 1030228254 /nfs/dbraw/zinc/22/82/54/1030228254.db2.gz VKGFSEKIGBEHNI-GOSISDBHSA-N 1 0 382.305 3.510 20 30 GHEDRO N#Cc1cc(CN2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1Br ZINC001222608818 1030231396 /nfs/dbraw/zinc/23/13/96/1030231396.db2.gz FYLWUSRVYUQIRT-SFHVURJKSA-N 1 0 382.305 3.510 20 30 GHEDRO C=CCC1(NC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCCCC1 ZINC001222661500 1030266604 /nfs/dbraw/zinc/26/66/04/1030266604.db2.gz WJUWTZHSCHMIJI-UHFFFAOYSA-N 1 0 384.568 3.512 20 30 GHEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC001461671831 1069669822 /nfs/dbraw/zinc/66/98/22/1069669822.db2.gz QHHGASZHOMBOGO-LBPRGKRZSA-N 1 0 375.104 3.648 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4cc5cc(C#N)ccc5[nH]4)n3)cc2)CC1 ZINC001217636428 1030560430 /nfs/dbraw/zinc/56/04/30/1030560430.db2.gz FVVJVDLKAIEYMH-UHFFFAOYSA-N 1 0 384.443 3.508 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1O[C@@H](C(=O)OCC)c1ccc(Br)cc1 ZINC001217927739 1030673819 /nfs/dbraw/zinc/67/38/19/1030673819.db2.gz XLOSQFWTARUPKN-BRWVUGGUSA-N 1 0 382.298 3.767 20 30 GHEDRO COc1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001217951828 1030684483 /nfs/dbraw/zinc/68/44/83/1030684483.db2.gz UYKGYXDDQNMJMX-WMBINYHTSA-N 1 0 385.435 3.766 20 30 GHEDRO C=CCc1c(=O)n(-c2ccccc2)c2ncccc2c1O[C@H]1CCCC[NH2+]C1 ZINC001217972037 1030697432 /nfs/dbraw/zinc/69/74/32/1030697432.db2.gz LHUHSZVMRLJUPD-SFHVURJKSA-N 1 0 375.472 3.635 20 30 GHEDRO N#Cc1cc(Br)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c(Br)c1 ZINC001217973249 1030699393 /nfs/dbraw/zinc/69/93/93/1030699393.db2.gz BCFCIEJZRIZZPX-NWDGAFQWSA-N 1 0 392.066 3.552 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3C[NH2+]CCC[C@H]3F)c3ccccc23)ccc1F ZINC001217980495 1030702875 /nfs/dbraw/zinc/70/28/75/1030702875.db2.gz KXILOLYNICIQFQ-TZIWHRDSSA-N 1 0 394.425 3.700 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CC[NH2+]CC[C@@H]3C)c(C#N)c2)nc1C ZINC001218031133 1030733679 /nfs/dbraw/zinc/73/36/79/1030733679.db2.gz XJBLJRWASPKWRW-GUYCJALGSA-N 1 0 399.516 3.934 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001223765325 1030743385 /nfs/dbraw/zinc/74/33/85/1030743385.db2.gz IWXYOADQPMCTJP-IBGZPJMESA-N 1 0 382.435 3.665 20 30 GHEDRO COc1ccccc1/C=C\C(=O)c1ccccc1O[C@H]1CSC2(C[NH2+]C2)C1 ZINC001218103496 1030773917 /nfs/dbraw/zinc/77/39/17/1030773917.db2.gz QGBNQNJOGGFZDP-QXPKXGMISA-N 1 0 381.497 3.818 20 30 GHEDRO CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]1CCO[C@@]12CC[NH2+]C2 ZINC001218138686 1030793087 /nfs/dbraw/zinc/79/30/87/1030793087.db2.gz PTCQPSYUGHNORG-NFBKMPQASA-N 1 0 384.520 3.941 20 30 GHEDRO O=C(/C=C\c1ccc(OC[C@H]2C[NH2+]CCO2)cc1)CCCCc1ccc(O)cc1 ZINC001218176420 1030808139 /nfs/dbraw/zinc/80/81/39/1030808139.db2.gz HKXUPPKVOFZECJ-VWTHGPEQSA-N 1 0 395.499 3.755 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)c2cc(Br)ccc2n1 ZINC001218201923 1030825969 /nfs/dbraw/zinc/82/59/69/1030825969.db2.gz WEXOANNZJXMKHS-ISVAXAHUSA-N 1 0 386.171 3.506 20 30 GHEDRO COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O[C@@H]1C[NH2+]C[C@H]1C#N ZINC001218201162 1030826107 /nfs/dbraw/zinc/82/61/07/1030826107.db2.gz PKBWUIYRYVHHSJ-JZJAWGSMSA-N 1 0 399.535 3.574 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001218202429 1030828170 /nfs/dbraw/zinc/82/81/70/1030828170.db2.gz LNYWXOOXBBYKEY-PIGZYNQJSA-N 1 0 376.243 3.736 20 30 GHEDRO C#CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3sc(Cl)c4ccccc34)C2)C1=O ZINC001276938114 1030847651 /nfs/dbraw/zinc/84/76/51/1030847651.db2.gz PAFZAAKRVHHMCX-FQEVSTJZSA-N 1 0 386.904 3.529 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC001218250354 1030854107 /nfs/dbraw/zinc/85/41/07/1030854107.db2.gz LYWSDWKCYKHNBB-DSKINZAPSA-N 1 0 391.467 3.918 20 30 GHEDRO N#CC1(NC(=O)c2cc3cnc(Cl)cc3[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001151420628 1030904986 /nfs/dbraw/zinc/90/49/86/1030904986.db2.gz LGGAJNJEGVSLSK-UHFFFAOYSA-N 1 0 393.878 3.504 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218470169 1030951031 /nfs/dbraw/zinc/95/10/31/1030951031.db2.gz ZLMGXLFLYPWXSF-DZFGPLHGSA-N 1 0 391.467 3.776 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001218542470 1030980935 /nfs/dbraw/zinc/98/09/35/1030980935.db2.gz UHRDINLPKZTNDL-YCRPNKLZSA-N 1 0 399.491 3.913 20 30 GHEDRO CCOC(=O)[C@H]1CCCc2sc(NC(=O)CCCCCCC[NH3+])c(C#N)c21 ZINC001218560925 1030986798 /nfs/dbraw/zinc/98/67/98/1030986798.db2.gz NDRZYGXQQWUCPL-AWEZNQCLSA-N 1 0 391.537 3.841 20 30 GHEDRO CCCCCCCCCCCC(=O)N(C)CC(=O)Nc1cncc(C[NH3+])c1 ZINC001218705412 1031040762 /nfs/dbraw/zinc/04/07/62/1031040762.db2.gz PYFOGEMOJWKSBF-UHFFFAOYSA-N 1 0 376.545 3.858 20 30 GHEDRO Cc1nc2c(F)cccc2cc1NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1 ZINC001218710018 1031043758 /nfs/dbraw/zinc/04/37/58/1031043758.db2.gz NOOQZSRUJCZGPU-VFNWGFHPSA-N 1 0 388.446 3.713 20 30 GHEDRO C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001218787362 1031079453 /nfs/dbraw/zinc/07/94/53/1031079453.db2.gz CJLQMTGHIGLOQF-SFHVURJKSA-N 1 0 386.477 3.781 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)Nc2onc(-c3ccccc3)c2C(=O)OC(C)(C)C)C1 ZINC001218793864 1031082695 /nfs/dbraw/zinc/08/26/95/1031082695.db2.gz KARUJJQHHFAIFZ-NRFANRHFSA-N 1 0 383.448 3.544 20 30 GHEDRO N#Cc1c(F)ccc(NC(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)c1F ZINC001218912454 1031150231 /nfs/dbraw/zinc/15/02/31/1031150231.db2.gz CCICAQKKRYCOSL-NRFANRHFSA-N 1 0 377.394 3.934 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)OCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001224950896 1031187695 /nfs/dbraw/zinc/18/76/95/1031187695.db2.gz WLZVZLRTOOCMAV-HXUWFJFHSA-N 1 0 396.535 3.721 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001219120383 1031260617 /nfs/dbraw/zinc/26/06/17/1031260617.db2.gz WSPDIOUKAPRFQI-UHFFFAOYSA-N 1 0 377.564 3.577 20 30 GHEDRO N#CC1(NC(=O)c2c[nH]c3nccc(Cl)c23)CC[NH+](Cc2ccccc2)CC1 ZINC001153110251 1031465856 /nfs/dbraw/zinc/46/58/56/1031465856.db2.gz PWKNDWKFCJZPBR-UHFFFAOYSA-N 1 0 393.878 3.504 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(F)c(C(=O)OC(C)(C)C)c1Cl ZINC001219664865 1031548072 /nfs/dbraw/zinc/54/80/72/1031548072.db2.gz MRXCDUUTNUIHBO-UHFFFAOYSA-N 1 0 397.878 3.511 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(-c3c(F)cccc3F)s2)CC1 ZINC001219756591 1031596917 /nfs/dbraw/zinc/59/69/17/1031596917.db2.gz SSSBDJRSTOWVJL-UHFFFAOYSA-N 1 0 393.463 3.645 20 30 GHEDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C3CC3)c(C#N)c2)[NH+](C)C)cc1 ZINC001219953868 1031716015 /nfs/dbraw/zinc/71/60/15/1031716015.db2.gz JKJBYSFTTZEVID-JOCHJYFZSA-N 1 0 391.519 3.926 20 30 GHEDRO C[C@H](NC(=O)NC(C)(C)Cc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001226058721 1031763289 /nfs/dbraw/zinc/76/32/89/1031763289.db2.gz XQELYEVZDMTEIJ-FXAWDEMLSA-N 1 0 382.552 3.832 20 30 GHEDRO Cc1nc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1Br ZINC001226200885 1031847483 /nfs/dbraw/zinc/84/74/83/1031847483.db2.gz KSNUGLDCFJHCSR-INIZCTEOSA-N 1 0 386.293 3.986 20 30 GHEDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2C2CC2)[NH+](C)C)cc1 ZINC001220289515 1031882454 /nfs/dbraw/zinc/88/24/54/1031882454.db2.gz GRVBQXKTTAFTMY-JOCHJYFZSA-N 1 0 391.519 3.926 20 30 GHEDRO C#C[C@@H](C)Oc1c(OC)ccc2c1-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC001229184056 1033326753 /nfs/dbraw/zinc/32/67/53/1033326753.db2.gz SFBGJINRIXXARK-PBHICJAKSA-O 1 0 394.491 3.707 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1F ZINC001461837948 1069781519 /nfs/dbraw/zinc/78/15/19/1069781519.db2.gz LECDMPXEPOHXJJ-PGRDOPGGSA-N 1 0 381.495 3.895 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(/C=C3\Oc4cc(O)ccc4C3=O)ccc2O)C1 ZINC001229207663 1033342304 /nfs/dbraw/zinc/34/23/04/1033342304.db2.gz IQDPNEMFAJDHIX-QZPXRHMKSA-N 1 0 381.428 3.576 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)ccc1F ZINC001205459306 1033422213 /nfs/dbraw/zinc/42/22/13/1033422213.db2.gz LUBFYAYEWGVOCD-UHFFFAOYSA-N 1 0 389.268 3.943 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)ccc1F ZINC001205467855 1033427054 /nfs/dbraw/zinc/42/70/54/1033427054.db2.gz ZAEAGROIWFQYHT-UHFFFAOYSA-N 1 0 389.474 3.988 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157425650 1033579684 /nfs/dbraw/zinc/57/96/84/1033579684.db2.gz CNWVEWKBEFLSKZ-KRWDZBQOSA-N 1 0 377.879 3.913 20 30 GHEDRO N#Cc1ccc(-c2cc(C(F)(F)n3ccc4c3CC[NH2+]C4)c(Cl)nn2)cc1 ZINC001157453552 1033598484 /nfs/dbraw/zinc/59/84/84/1033598484.db2.gz FZPVURFQOWIDBY-UHFFFAOYSA-N 1 0 385.805 3.713 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC001205890626 1033621670 /nfs/dbraw/zinc/62/16/70/1033621670.db2.gz VDXFNEQJIPWVGQ-RDGPPVDQSA-N 1 0 379.342 3.908 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC001205890624 1033622161 /nfs/dbraw/zinc/62/21/61/1033622161.db2.gz VDXFNEQJIPWVGQ-MANSERQUSA-N 1 0 379.342 3.908 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1OC ZINC001157528159 1033642214 /nfs/dbraw/zinc/64/22/14/1033642214.db2.gz RFJGSXJOKDLUTA-QBFSEMIESA-N 1 0 392.499 3.616 20 30 GHEDRO C[C@H]1[C@@H]([NH3+])CCCN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001157744397 1033749502 /nfs/dbraw/zinc/74/95/02/1033749502.db2.gz FXSNHCGQNZBDBT-NHYWBVRUSA-N 1 0 377.826 3.530 20 30 GHEDRO C[NH+]1C(C)(C)CC(Oc2ncc(I)cc2C#N)CC1(C)C ZINC001229884829 1033771859 /nfs/dbraw/zinc/77/18/59/1033771859.db2.gz COGSCZCCXVDGIM-UHFFFAOYSA-N 1 0 399.276 3.588 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN2Cc2c(Br)ccc(C)c2F)C1=O ZINC001277433638 1033810209 /nfs/dbraw/zinc/81/02/09/1033810209.db2.gz KKKJDTOEQDKJCW-SFHVURJKSA-N 1 0 381.289 3.650 20 30 GHEDRO [NH3+][C@H](CC(=O)N1CC[C@](CF)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC001157889099 1033811848 /nfs/dbraw/zinc/81/18/48/1033811848.db2.gz JGBFKHPUWVKJRP-TZMCWYRMSA-N 1 0 386.311 3.846 20 30 GHEDRO Cc1ncn(-c2nc3cc(F)ccc3c(Cl)c2C#N)c1CSCC[NH3+] ZINC001157966936 1033841911 /nfs/dbraw/zinc/84/19/11/1033841911.db2.gz FWRQVFUPHJEBHU-UHFFFAOYSA-N 1 0 375.860 3.585 20 30 GHEDRO N#Cc1cc2c(nc1N(c1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1)CCC2 ZINC001158092059 1033910671 /nfs/dbraw/zinc/91/06/71/1033910671.db2.gz KWNQAKYWJOBLSZ-UHFFFAOYSA-N 1 0 387.409 3.746 20 30 GHEDRO N#Cc1c(Cl)ccnc1N(c1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC001158093870 1033913479 /nfs/dbraw/zinc/91/34/79/1033913479.db2.gz KUYBTFZCEPJBRC-UHFFFAOYSA-N 1 0 381.789 3.911 20 30 GHEDRO COc1cc(C(F)(F)N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c(C#N)c(Cl)n1 ZINC001158263450 1033992636 /nfs/dbraw/zinc/99/26/36/1033992636.db2.gz DDKOTKRCYASTLN-DIFFPNOSSA-N 1 0 386.874 3.798 20 30 GHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001158314340 1034017316 /nfs/dbraw/zinc/01/73/16/1034017316.db2.gz DYEWWLXQPWSHNZ-CYBMUJFWSA-N 1 0 391.302 3.714 20 30 GHEDRO COc1cc(N(c2nc(-c3cccs3)ccc2C#N)C2CC[NH2+]CC2)ccn1 ZINC001158333343 1034028150 /nfs/dbraw/zinc/02/81/50/1034028150.db2.gz IMVFLMAGPOIGIK-UHFFFAOYSA-N 1 0 391.500 3.975 20 30 GHEDRO C[N@@H+]1CCN(c2ccc(COc3ccc(CC#N)cc3)cn2)C2(CCCC2)C1 ZINC001158410248 1034065085 /nfs/dbraw/zinc/06/50/85/1034065085.db2.gz LDBVIQLNXNUPOD-UHFFFAOYSA-N 1 0 376.504 3.791 20 30 GHEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001158739075 1034253994 /nfs/dbraw/zinc/25/39/94/1034253994.db2.gz USYHNDWYGVVDDZ-IAGOWNOFSA-N 1 0 393.491 3.666 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H]1CCCCN1C(=O)OC(C)(C)C)C2 ZINC001207311334 1034258597 /nfs/dbraw/zinc/25/85/97/1034258597.db2.gz DAYORXPIADIVRC-XQBPLPMBSA-N 1 0 394.556 3.602 20 30 GHEDRO C[C@H](c1ccccc1)N(c1ccc(OC2CC[NH2+]CC2)nn1)C1=CC(=O)CCC1 ZINC001158797209 1034275661 /nfs/dbraw/zinc/27/56/61/1034275661.db2.gz SRQDOFXNKMAOFM-QGZVFWFLSA-N 1 0 392.503 3.812 20 30 GHEDRO N#Cc1c2c(cnc1N1CCC[C@@]3(CCc4c3cccc4F)C1)C[NH2+]CCC2 ZINC001158844572 1034297958 /nfs/dbraw/zinc/29/79/58/1034297958.db2.gz YCTOTFPRHMASDR-HSZRJFAPSA-N 1 0 376.479 3.613 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCc3cccc(OC)c3)C[C@@H]2c2ccccc2)C1=O ZINC001207427105 1034362720 /nfs/dbraw/zinc/36/27/20/1034362720.db2.gz QZABJLJLBGOXKF-NOZRDPDXSA-N 1 0 390.527 3.742 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001159018506 1034384336 /nfs/dbraw/zinc/38/43/36/1034384336.db2.gz SBXQKHGFDYKUJR-UHFFFAOYSA-N 1 0 375.592 3.952 20 30 GHEDRO N#C[C@@H](c1ccc(N2CCC3(CC2)[NH2+]Cc2ccccc23)nn1)c1ccccc1F ZINC001159032019 1034390620 /nfs/dbraw/zinc/39/06/20/1034390620.db2.gz QLEIJXVXCFWTKR-LJQANCHMSA-N 1 0 399.473 3.870 20 30 GHEDRO C#C[C@H](CC)Oc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC001231101745 1034399475 /nfs/dbraw/zinc/39/94/75/1034399475.db2.gz RHRGIVLVWNPJEL-QGZVFWFLSA-N 1 0 388.443 3.878 20 30 GHEDRO N#Cc1c(N=C2CCC(OC(=O)c3ccccc3)CC2)sc2c1CC[NH2+]C2 ZINC001159158235 1034458526 /nfs/dbraw/zinc/45/85/26/1034458526.db2.gz ZWOVXWNULFEPFM-INIZCTEOSA-N 1 0 379.485 3.971 20 30 GHEDRO C=CCOC[C@H]1C[N@@H+](CCCc2cccc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001207602600 1034482012 /nfs/dbraw/zinc/48/20/12/1034482012.db2.gz SUIZVHKHHUKUFQ-LJQANCHMSA-N 1 0 384.499 3.562 20 30 GHEDRO C=CCOC(=O)c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001231302468 1034507427 /nfs/dbraw/zinc/50/74/27/1034507427.db2.gz ITHDNGFPUFEZGG-JOCHJYFZSA-N 1 0 381.472 3.699 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OCCCOC)cc1)CC2 ZINC001231505096 1034650171 /nfs/dbraw/zinc/65/01/71/1034650171.db2.gz JVQUKIZLUFJHJD-HSZRJFAPSA-N 1 0 386.536 3.635 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159546119 1034655958 /nfs/dbraw/zinc/65/59/58/1034655958.db2.gz PWXBTQYWWQKMHG-UHFFFAOYSA-N 1 0 380.870 3.885 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cn3)c3nccc2-3)cc1 ZINC001159576815 1034676425 /nfs/dbraw/zinc/67/64/25/1034676425.db2.gz AEXOUVDNHKNFOD-CQSZACIVSA-N 1 0 382.427 3.516 20 30 GHEDRO COC(=O)c1cccc(C(F)(F)F)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159753869 1034733254 /nfs/dbraw/zinc/73/32/54/1034733254.db2.gz ZNEFKBWQVBNELX-UHFFFAOYSA-N 1 0 375.350 3.794 20 30 GHEDRO CCCCCCC/C=C/CN1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001208118885 1034745573 /nfs/dbraw/zinc/74/55/73/1034745573.db2.gz QUHBGMXYAUTXLB-RQWLHQTBSA-N 1 0 387.616 3.924 20 30 GHEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001208118904 1034746409 /nfs/dbraw/zinc/74/64/09/1034746409.db2.gz RLXDQMBPXVMFCZ-NPKWVPMESA-N 1 0 392.584 3.776 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001231656716 1034813485 /nfs/dbraw/zinc/81/34/85/1034813485.db2.gz FHZBBZPPSYZOSE-DEOSSOPVSA-N 1 0 376.475 3.822 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC001208243891 1034831783 /nfs/dbraw/zinc/83/17/83/1034831783.db2.gz PYVQIHAMUXCDNZ-HXUWFJFHSA-N 1 0 398.551 3.717 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)CC(C)C ZINC001208429478 1034894054 /nfs/dbraw/zinc/89/40/54/1034894054.db2.gz OUSKLEPDKANMDA-OAQYLSRUSA-N 1 0 396.539 3.681 20 30 GHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001160207208 1034901777 /nfs/dbraw/zinc/90/17/77/1034901777.db2.gz UEPZQODVUCENKU-JTQLQIEISA-N 1 0 386.789 3.896 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001208475989 1034908765 /nfs/dbraw/zinc/90/87/65/1034908765.db2.gz FWQOCHPXDMONMU-CABCVRRESA-N 1 0 384.430 3.963 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(CC2)c2cccc(F)c2NC3=O)cc1 ZINC001231817314 1034926077 /nfs/dbraw/zinc/92/60/77/1034926077.db2.gz FSUFAHITBDJJPK-UHFFFAOYSA-N 1 0 392.478 3.661 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCCN1C(=O)OC(C)(C)C ZINC001231820250 1034928003 /nfs/dbraw/zinc/92/80/03/1034928003.db2.gz CQWHQOJKDGJULT-SFHVURJKSA-N 1 0 386.540 3.868 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)cc1 ZINC001231820797 1034929040 /nfs/dbraw/zinc/92/90/40/1034929040.db2.gz UERKZBJCDPSKFL-PKTZIBPZSA-N 1 0 390.531 3.660 20 30 GHEDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@H]1c1ccccc1 ZINC001231822263 1034930192 /nfs/dbraw/zinc/93/01/92/1034930192.db2.gz ZSTOLVVRQYGPIZ-VXKWHMMOSA-N 1 0 377.488 3.773 20 30 GHEDRO COc1cccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1C(=O)C(F)(F)F ZINC001160359743 1034954914 /nfs/dbraw/zinc/95/49/14/1034954914.db2.gz CVGBCISTUPOSIX-UHFFFAOYSA-N 1 0 375.350 3.742 20 30 GHEDRO N#Cc1cccc(C[C@H]([NH3+])C(=O)N2CCC(c3ccc4ccccc4c3)CC2)c1 ZINC001160525375 1034995000 /nfs/dbraw/zinc/99/50/00/1034995000.db2.gz YTUOFRLOKAOGPC-DEOSSOPVSA-N 1 0 383.495 3.987 20 30 GHEDRO C=CCOC[C@@H]1C[N@@H+](CCCc2ccc(F)cc2)Cc2nnn(CC3CC3)c21 ZINC001208768869 1035011522 /nfs/dbraw/zinc/01/15/22/1035011522.db2.gz WTSJEZVHUNFGQI-IBGZPJMESA-N 1 0 384.499 3.562 20 30 GHEDRO N#CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC001160737952 1035049421 /nfs/dbraw/zinc/04/94/21/1035049421.db2.gz KYFJRHNPQSETFA-KRWDZBQOSA-N 1 0 391.849 3.821 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1F ZINC001160742825 1035052445 /nfs/dbraw/zinc/05/24/45/1035052445.db2.gz WGJVWIBIVXELQL-BXUZGUMPSA-N 1 0 399.779 3.760 20 30 GHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160746993 1035054011 /nfs/dbraw/zinc/05/40/11/1035054011.db2.gz FTUMYANEUJGMOQ-QWHCGFSZSA-N 1 0 397.788 3.746 20 30 GHEDRO CCOC[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001208852023 1035057775 /nfs/dbraw/zinc/05/77/75/1035057775.db2.gz QXSRWMWAHTUTLO-NRFANRHFSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1 ZINC001208858588 1035063149 /nfs/dbraw/zinc/06/31/49/1035063149.db2.gz IOYAFRKQTMHXSY-QHCPKHFHSA-N 1 0 391.515 3.726 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)cc1 ZINC001208859877 1035063358 /nfs/dbraw/zinc/06/33/58/1035063358.db2.gz VEISDIYFZIKFDQ-FQEVSTJZSA-N 1 0 395.478 3.727 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)cc1 ZINC001208861863 1035065136 /nfs/dbraw/zinc/06/51/36/1035065136.db2.gz QPSGDECKXJUUAJ-WXFUMESZSA-N 1 0 398.547 3.556 20 30 GHEDRO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)s1)C2 ZINC001276596480 1035074493 /nfs/dbraw/zinc/07/44/93/1035074493.db2.gz UOTITAIGSLCOGL-IBGZPJMESA-N 1 0 386.546 3.513 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)cc1 ZINC001208922142 1035089828 /nfs/dbraw/zinc/08/98/28/1035089828.db2.gz CIUPVLSTDMFRJP-QFIPXVFZSA-N 1 0 390.531 3.733 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208931225 1035095002 /nfs/dbraw/zinc/09/50/02/1035095002.db2.gz ILHOKAUJSXNDJB-QFIPXVFZSA-N 1 0 397.563 3.619 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]C2)C1 ZINC001160993995 1035114473 /nfs/dbraw/zinc/11/44/73/1035114473.db2.gz IQAZBHHNVWMGRP-NFBKMPQASA-N 1 0 387.527 3.734 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3C)C2)C1 ZINC001232182433 1035150109 /nfs/dbraw/zinc/15/01/09/1035150109.db2.gz VMUVBMRSYGYACB-JOCHJYFZSA-N 1 0 385.508 3.564 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@H](CC[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001209073145 1035163631 /nfs/dbraw/zinc/16/36/31/1035163631.db2.gz LANBIMVMLCPGCS-OAQYLSRUSA-N 1 0 399.535 3.764 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](CCCC(C)(C)OC(C)=O)CC2)C1 ZINC001209149189 1035193305 /nfs/dbraw/zinc/19/33/05/1035193305.db2.gz WCHWCNBSVLOSFK-UHFFFAOYSA-N 1 0 380.529 3.609 20 30 GHEDRO C=CCCC[N@H+]1CC[C@@H]2CN(Cc3ccc(Cl)cc3)S(=O)(=O)[C@@H]2CC1 ZINC001209158142 1035195301 /nfs/dbraw/zinc/19/53/01/1035195301.db2.gz KSKOUXNKGDHMOF-IEBWSBKVSA-N 1 0 382.957 3.532 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCCc3ccncc3)C[C@@H]2c2ccccc2)C1=O ZINC001209184252 1035203418 /nfs/dbraw/zinc/20/34/18/1035203418.db2.gz JWKSUCZENLAPDA-VWNXMTODSA-N 1 0 375.516 3.518 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCOc3ccccc3)C[C@@H]2c2ccccc2)C1=O ZINC001209297258 1035234157 /nfs/dbraw/zinc/23/41/57/1035234157.db2.gz WBBRSAURLPVLRU-VWNXMTODSA-N 1 0 376.500 3.570 20 30 GHEDRO CCC[N@H+](C)[C@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)c1ccc(Cl)cc1 ZINC001209329986 1035243150 /nfs/dbraw/zinc/24/31/50/1035243150.db2.gz MVBLMBUPINTFBT-CABCVRRESA-N 1 0 390.837 3.867 20 30 GHEDRO N#CC[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001209331125 1035243769 /nfs/dbraw/zinc/24/37/69/1035243769.db2.gz ZKRJEQYCTFJFHN-IEBWSBKVSA-N 1 0 394.441 3.529 20 30 GHEDRO N#Cc1cc(F)cnc1NCC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001161577297 1035263020 /nfs/dbraw/zinc/26/30/20/1035263020.db2.gz GJFLASSAQFZZPT-UHFFFAOYSA-N 1 0 378.373 3.844 20 30 GHEDRO C=CCSc1ncccc1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161589961 1035266493 /nfs/dbraw/zinc/26/64/93/1035266493.db2.gz CPHWCPXOJLADGT-UHFFFAOYSA-N 1 0 379.529 3.637 20 30 GHEDRO C#C[C@](C)([NH3+])C(=O)N([C@H](C)c1ccccc1)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001161603651 1035270921 /nfs/dbraw/zinc/27/09/21/1035270921.db2.gz IEYMCIHDQZLTHX-MWIHYIROSA-N 1 0 376.500 3.675 20 30 GHEDRO C=CCCCCCC[NH+]1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001209436922 1035273618 /nfs/dbraw/zinc/27/36/18/1035273618.db2.gz CTWUCCBWONVBMN-UHFFFAOYSA-N 1 0 397.567 3.882 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3cc(F)ccc3C(F)(F)F)no2)c1 ZINC001248154203 1035580377 /nfs/dbraw/zinc/58/03/77/1035580377.db2.gz CQJWFFBHHCOFDY-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc4nccc(Cl)c4c3)no2)c1 ZINC001248154997 1035581472 /nfs/dbraw/zinc/58/14/72/1035581472.db2.gz LOGFBYNQHBGZNY-MRXNPFEDSA-N 1 0 389.846 3.922 20 30 GHEDRO CC(C)(C)Oc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1 ZINC001248157537 1035584170 /nfs/dbraw/zinc/58/41/70/1035584170.db2.gz NTKHIQGBCUWZNQ-GOSISDBHSA-N 1 0 376.460 3.898 20 30 GHEDRO C#Cc1cccc(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC001241916749 1035747768 /nfs/dbraw/zinc/74/77/68/1035747768.db2.gz HTOHUEIQSYXSAI-GOSISDBHSA-N 1 0 391.515 3.529 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc(COCCOCC[NH3+])n2)cc1 ZINC001248347540 1035767456 /nfs/dbraw/zinc/76/74/56/1035767456.db2.gz XYJFSSPOGVDMQW-UHFFFAOYSA-N 1 0 391.512 3.968 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)cn3ccnc13)[C@@H]2CC ZINC001248439383 1035857053 /nfs/dbraw/zinc/85/70/53/1035857053.db2.gz FRLIGCPMCJCNNX-NQIIRXRSSA-N 1 0 386.927 3.909 20 30 GHEDRO C[NH+](C)CCOc1cccc(-c2ncc(F)c(Oc3cccc(C#N)c3)n2)c1 ZINC001243750107 1036268909 /nfs/dbraw/zinc/26/89/09/1036268909.db2.gz XICLJICPKBQZKJ-UHFFFAOYSA-N 1 0 378.407 3.887 20 30 GHEDRO N#Cc1c(C#N)c(C2=CC[C@@H]([NH+]3CCOCC3)CC2)nc2c1CCCCCC2 ZINC001245418007 1036916075 /nfs/dbraw/zinc/91/60/75/1036916075.db2.gz HGMURVMHEKGVTO-GOSISDBHSA-N 1 0 376.504 3.752 20 30 GHEDRO COc1cccc(C[NH+]2CCC(NC(=S)Nc3ccc(C#N)cc3)CC2)c1 ZINC001245950733 1037076167 /nfs/dbraw/zinc/07/61/67/1037076167.db2.gz LVERTFNPXIGZKR-UHFFFAOYSA-N 1 0 380.517 3.518 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246029248 1037145941 /nfs/dbraw/zinc/14/59/41/1037145941.db2.gz APSBZMZWRPEDHB-DNVJHFABSA-N 1 0 398.632 3.595 20 30 GHEDRO ON=C(N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001246163498 1037217427 /nfs/dbraw/zinc/21/74/27/1037217427.db2.gz YFENZITYQSNDTN-NVXWUHKLSA-N 1 0 379.382 3.804 20 30 GHEDRO CCCCCCC[N@@H+]1CCC[C@@]2(CN(C(=O)Cc3ccsc3)CCO2)C1 ZINC001278435284 1037232302 /nfs/dbraw/zinc/23/23/02/1037232302.db2.gz MEAMEZFFAUUISL-NRFANRHFSA-N 1 0 378.582 3.954 20 30 GHEDRO C[C@@H]1C[C@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C[NH2+]1 ZINC001246294712 1037283098 /nfs/dbraw/zinc/28/30/98/1037283098.db2.gz KSZMDWLFBZZSSZ-YPMHNXCESA-N 1 0 385.514 3.638 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246314624 1037291789 /nfs/dbraw/zinc/29/17/89/1037291789.db2.gz XTKZLVQKEGMCNK-UGSOOPFHSA-N 1 0 388.886 3.756 20 30 GHEDRO C=CCOC1CCC(N2CC[NH2+][C@H](c3cccc(Br)c3)C2)CC1 ZINC001246807504 1037642710 /nfs/dbraw/zinc/64/27/10/1037642710.db2.gz RMIZWQZPMUUOMB-ACBHZAAOSA-N 1 0 379.342 3.909 20 30 GHEDRO Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246889481 1037705323 /nfs/dbraw/zinc/70/53/23/1037705323.db2.gz FALAOYMGVQJHAW-JTHBVZDNSA-N 1 0 378.495 3.621 20 30 GHEDRO CN(C)c1ccc(-c2nc3cc(F)ccc3n2C2CC[NH2+]CC2)c(F)c1C#N ZINC001247031737 1037850486 /nfs/dbraw/zinc/85/04/86/1037850486.db2.gz YLQLYBJZTPVUSO-UHFFFAOYSA-N 1 0 381.430 3.844 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)c(OC)cc3O)C2)C1 ZINC001232265950 1037987634 /nfs/dbraw/zinc/98/76/34/1037987634.db2.gz HOAJADMKZSFNNG-FQEVSTJZSA-N 1 0 394.899 3.665 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(O)c4ncccc34)C2)C1 ZINC001232273468 1037998710 /nfs/dbraw/zinc/99/87/10/1037998710.db2.gz XQSBGPAOSHZOBQ-QFIPXVFZSA-N 1 0 381.476 3.551 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CCC(C#N)CC3)c2)nc1C ZINC001232450710 1038233551 /nfs/dbraw/zinc/23/35/51/1038233551.db2.gz DOUCUSVWLPXUIT-UHFFFAOYSA-N 1 0 385.489 3.736 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)c(C)cc3Br)C2)C1=O ZINC001232466276 1038251323 /nfs/dbraw/zinc/25/13/23/1038251323.db2.gz LPTZZOIMRCKYJE-LJQANCHMSA-N 1 0 395.316 3.897 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)c(C)s1)CC2 ZINC001277679888 1038314575 /nfs/dbraw/zinc/31/45/75/1038314575.db2.gz QORLABNPDPLFOL-CQSZACIVSA-N 1 0 383.355 3.723 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(-c4ccc([C@@H](N)C[NH3+])cc4)n3)cc2)cc1 ZINC001247699081 1038337673 /nfs/dbraw/zinc/33/76/73/1038337673.db2.gz IMMNAAIEZOXROF-NRFANRHFSA-N 1 0 381.439 3.901 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3SC)C2)C1=O ZINC001277689730 1038402852 /nfs/dbraw/zinc/40/28/52/1038402852.db2.gz WNQCGERCDNQQDI-IBGZPJMESA-N 1 0 378.925 3.589 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc([C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)n2)c1 ZINC001247850648 1038425381 /nfs/dbraw/zinc/42/53/81/1038425381.db2.gz LLABFNOWDLAGNW-QGZVFWFLSA-N 1 0 390.418 3.784 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cncc4cnccc43)CC2)C1 ZINC001232646909 1038433443 /nfs/dbraw/zinc/43/34/43/1038433443.db2.gz HQBZYDHTNMWCHI-UHFFFAOYSA-N 1 0 380.492 3.630 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)c(C)cc1OC)C2 ZINC001232830614 1038583456 /nfs/dbraw/zinc/58/34/56/1038583456.db2.gz OAUCVVCHOIVSPB-FCHUYYIVSA-N 1 0 375.509 3.586 20 30 GHEDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccc(C#N)s4)C3)C2)cc1 ZINC001232842501 1038593549 /nfs/dbraw/zinc/59/35/49/1038593549.db2.gz HEJCFZODQNHYMG-QFIPXVFZSA-N 1 0 397.544 3.747 20 30 GHEDRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cc(F)ccc3C#N)CC2)c2ccccc21 ZINC001232890652 1038679841 /nfs/dbraw/zinc/67/98/41/1038679841.db2.gz JKQYZKKUSIMHFF-GOSISDBHSA-N 1 0 391.490 3.855 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cc(C)c(Br)cn1)C2 ZINC001232906142 1038703144 /nfs/dbraw/zinc/70/31/44/1038703144.db2.gz CKJWHJVASSYPQA-RTBURBONSA-N 1 0 395.341 3.726 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c(C#N)c1 ZINC001232965341 1038738488 /nfs/dbraw/zinc/73/84/88/1038738488.db2.gz WGDKBAATALTVLP-DNVJHFABSA-N 1 0 377.488 3.600 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CN(CC)C(=O)[C@H]2COCC)CC1 ZINC001252127549 1038879151 /nfs/dbraw/zinc/87/91/51/1038879151.db2.gz BGDOLPLRXHYAFY-LEWJYISDSA-N 1 0 396.616 3.695 20 30 GHEDRO COc1cccc(CN2CC[C@@H]3SC(=O)C=C3C2)c1NC(=O)OC(C)(C)C ZINC001233126528 1038912677 /nfs/dbraw/zinc/91/26/77/1038912677.db2.gz LHUGFPNWAVGUDU-INIZCTEOSA-N 1 0 390.505 3.816 20 30 GHEDRO C[C@@](O)(C[N@@H+]1CCCC2(CCC2)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252323956 1038942560 /nfs/dbraw/zinc/94/25/60/1038942560.db2.gz DVIMVFYMZWNUDX-GOSISDBHSA-N 1 0 395.425 3.533 20 30 GHEDRO COCCCC/C(=N\OCC[NH2+]CC(C)(C)O)c1ccc(C(F)(F)F)cc1 ZINC001252365614 1038958350 /nfs/dbraw/zinc/95/83/50/1038958350.db2.gz GBVPTAYYDYIFSV-JJIBRWJFSA-N 1 0 390.446 3.603 20 30 GHEDRO C=C[C@@](C)(O)C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001252560470 1039030733 /nfs/dbraw/zinc/03/07/33/1039030733.db2.gz SOSQMLWPMNVUPR-WOIUINJBSA-N 1 0 392.515 3.773 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@@H](CC)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC001252575483 1039036344 /nfs/dbraw/zinc/03/63/44/1039036344.db2.gz BYXQMRCJRDUWKN-JTSKRJEESA-N 1 0 381.451 3.503 20 30 GHEDRO C=C[C@](C)(O)C[NH2+][C@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21 ZINC001252584596 1039037729 /nfs/dbraw/zinc/03/77/29/1039037729.db2.gz CDJOMFCZHCAALA-DSITVLBTSA-N 1 0 387.479 3.919 20 30 GHEDRO C=C[C@](C)(O)C[NH2+]CC1(c2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583402 1039037990 /nfs/dbraw/zinc/03/79/90/1039037990.db2.gz JQBCQBDKHHKTSR-NRFANRHFSA-N 1 0 392.515 3.621 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 ZINC001252599756 1039042282 /nfs/dbraw/zinc/04/22/82/1039042282.db2.gz ICIWLWGHTVQGAK-OAHLLOKOSA-N 1 0 394.309 3.576 20 30 GHEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC(=O)OC)c1ccc(OCc2ccccc2)cc1 ZINC001252617297 1039050642 /nfs/dbraw/zinc/05/06/42/1039050642.db2.gz CBBYDAFLRRXNED-IFMALSPDSA-N 1 0 383.488 3.787 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(F)cc3)cc(C#N)c21 ZINC001252864433 1039219826 /nfs/dbraw/zinc/21/98/26/1039219826.db2.gz GDTULRCWNJRNMT-SZNDQCEHSA-N 1 0 379.435 3.566 20 30 GHEDRO N#Cc1cccc(C(F)(F)F)c1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252937659 1039279672 /nfs/dbraw/zinc/27/96/72/1039279672.db2.gz JNAXWYCEDCSJQN-LJQANCHMSA-N 1 0 375.394 3.626 20 30 GHEDRO COCCc1ccc(OC[C@@H](O)C[N@H+](CCC#N)C2CCCCCCC2)cc1 ZINC001253050527 1039379644 /nfs/dbraw/zinc/37/96/44/1039379644.db2.gz YQYNTJYXMWFMLZ-QFIPXVFZSA-N 1 0 388.552 3.944 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253226450 1039483877 /nfs/dbraw/zinc/48/38/77/1039483877.db2.gz PJCXQXJUMQJYPZ-RDPSFJRHSA-N 1 0 390.483 3.944 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC001253236799 1039492749 /nfs/dbraw/zinc/49/27/49/1039492749.db2.gz TZLQZVBRGHDBIL-TZIWHRDSSA-N 1 0 375.557 3.646 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@H]1CC ZINC001253237075 1039492813 /nfs/dbraw/zinc/49/28/13/1039492813.db2.gz IJLJEJNWMVHLDJ-XJUOHMSHSA-N 1 0 394.600 3.756 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001253237447 1039493169 /nfs/dbraw/zinc/49/31/69/1039493169.db2.gz LFIVZPMUABLCFL-HXUWFJFHSA-N 1 0 380.536 3.827 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001253237959 1039495126 /nfs/dbraw/zinc/49/51/26/1039495126.db2.gz PJASYYSTAONSHB-KAOXLYBCSA-N 1 0 388.552 3.718 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253247089 1039501612 /nfs/dbraw/zinc/50/16/12/1039501612.db2.gz WHTSRKJSBQBLAD-SIKLNZKXSA-N 1 0 398.588 3.616 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC001253250296 1039503427 /nfs/dbraw/zinc/50/34/27/1039503427.db2.gz WUQPCPXEYILOKH-VXKWHMMOSA-N 1 0 378.532 3.504 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001253253326 1039504689 /nfs/dbraw/zinc/50/46/89/1039504689.db2.gz FLJZKFQALCTOKM-IYWMVGAKSA-N 1 0 396.572 3.630 20 30 GHEDRO C#C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cc1F ZINC001233741531 1039583206 /nfs/dbraw/zinc/58/32/06/1039583206.db2.gz QEIGGOFSRHBUJO-JHVJFLLYSA-N 1 0 399.897 3.973 20 30 GHEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C[C@@H](O)c3ccc(F)c(F)c3)cc(C#N)c21 ZINC001253378194 1039589088 /nfs/dbraw/zinc/58/90/88/1039589088.db2.gz KNIKMSSGPOQRPK-YEJXKQKISA-N 1 0 397.425 3.705 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]C(C)(C)c2ccc(C#N)cc2)cc1 ZINC001253431036 1039631512 /nfs/dbraw/zinc/63/15/12/1039631512.db2.gz NEDNPMVMPKEXGR-NRFANRHFSA-N 1 0 394.515 3.898 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+]C[C@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)C1=O ZINC001253494564 1039676492 /nfs/dbraw/zinc/67/64/92/1039676492.db2.gz OQPIKLFLAVHUNJ-SIKLNZKXSA-N 1 0 392.971 3.816 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001277817527 1039697264 /nfs/dbraw/zinc/69/72/64/1039697264.db2.gz QTRXOABBRXUAPS-HZPDHXFCSA-N 1 0 385.817 3.729 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H](CC)CO ZINC001253613657 1039721322 /nfs/dbraw/zinc/72/13/22/1039721322.db2.gz AOBATCXWPKEJML-RTWAWAEBSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](CO)C1 ZINC001253613807 1039721429 /nfs/dbraw/zinc/72/14/29/1039721429.db2.gz FEUSCWBMSOQUKZ-BHIFYINESA-N 1 0 387.605 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001253613469 1039722056 /nfs/dbraw/zinc/72/20/56/1039722056.db2.gz AKUQFDLDKVDESW-JOCHJYFZSA-N 1 0 397.604 3.825 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@@H](CC)CO ZINC001253613658 1039722355 /nfs/dbraw/zinc/72/23/55/1039722355.db2.gz AOBATCXWPKEJML-SFTDATJTSA-N 1 0 375.594 3.662 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1O ZINC001253614635 1039724378 /nfs/dbraw/zinc/72/43/78/1039724378.db2.gz RZQNZCHNWKQGLU-BHDDXSALSA-N 1 0 387.605 3.804 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3sc(Br)cc3C)C2)C1=O ZINC001277849203 1039981428 /nfs/dbraw/zinc/98/14/28/1039981428.db2.gz RTQFPZVGZFNAKA-QGZVFWFLSA-N 1 0 383.355 3.820 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254342874 1040177084 /nfs/dbraw/zinc/17/70/84/1040177084.db2.gz UKEOVRROYQRVQO-UHFFFAOYSA-N 1 0 387.499 3.986 20 30 GHEDRO COC(=O)[C@@H](NC1CCC(C#N)(c2ccc(F)cc2)CC1)[C@@H](C)OC(C)(C)C ZINC001254347149 1040180737 /nfs/dbraw/zinc/18/07/37/1040180737.db2.gz CZYVTYHFQDRHON-XPKSXUOMSA-N 1 0 390.499 3.864 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC2CCN(c3ccncn3)CC2)CC1 ZINC001254350949 1040183284 /nfs/dbraw/zinc/18/32/84/1040183284.db2.gz PMIZASDOOGJFIT-UHFFFAOYSA-N 1 0 393.510 3.826 20 30 GHEDRO CCOC[C@@H]1Cn2nccc2C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254355865 1040188043 /nfs/dbraw/zinc/18/80/43/1040188043.db2.gz XQUXAKUSBBBFTI-RHKCVOJBSA-N 1 0 396.510 3.895 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(Oc3ncccn3)CC2)CC1 ZINC001254356754 1040190134 /nfs/dbraw/zinc/19/01/34/1040190134.db2.gz SYWVZIPHDQFCHR-UHFFFAOYSA-N 1 0 380.467 3.863 20 30 GHEDRO CCOC(=O)[C@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CCS1 ZINC001254359999 1040192554 /nfs/dbraw/zinc/19/25/54/1040192554.db2.gz SPNAZDXNIPSQIM-QPIRBTGLSA-N 1 0 376.497 3.510 20 30 GHEDRO CC(=O)O/N=C(/C)c1ccccc1O[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001234846393 1040366262 /nfs/dbraw/zinc/36/62/62/1040366262.db2.gz MMSUMCWQGBONTQ-LIVRWWMGSA-N 1 0 381.476 3.973 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)C2 ZINC001254625591 1040401839 /nfs/dbraw/zinc/40/18/39/1040401839.db2.gz KPSQURPRWGHUIB-QHCPKHFHSA-N 1 0 385.527 3.828 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(c2ncccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254638178 1040412186 /nfs/dbraw/zinc/41/21/86/1040412186.db2.gz XKMAYYFYINIWQB-QFBILLFUSA-N 1 0 384.524 3.978 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(OC2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254660582 1040423342 /nfs/dbraw/zinc/42/33/42/1040423342.db2.gz YSTOVQMBADFZIK-IRXDYDNUSA-N 1 0 377.529 3.559 20 30 GHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)C1 ZINC001254662423 1040424807 /nfs/dbraw/zinc/42/48/07/1040424807.db2.gz GMRWWVKKAGOPFO-LIVBEALHSA-N 1 0 386.883 3.582 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+][C@H]3CC[C@H](C#N)CC3)CC2)C1 ZINC001254714291 1040472709 /nfs/dbraw/zinc/47/27/09/1040472709.db2.gz BYAWIDDXRSUSFR-KQUKSJNGSA-N 1 0 377.529 3.607 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254726459 1040482876 /nfs/dbraw/zinc/48/28/76/1040482876.db2.gz XLMLMFMJYSCNOB-UHFFFAOYSA-N 1 0 399.535 3.939 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H](NC(=[NH2+])c3ccc(C#N)cc3)C2)CC1 ZINC001254730752 1040488025 /nfs/dbraw/zinc/48/80/25/1040488025.db2.gz DTAUHEHROCVUEX-GOSISDBHSA-N 1 0 382.508 3.833 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+]CCCOc1ccccc1C#N)C2 ZINC001254765286 1040526217 /nfs/dbraw/zinc/52/62/17/1040526217.db2.gz RSHYHPPXEJPYML-SFHVURJKSA-N 1 0 385.508 3.706 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(Cl)c(C#N)c3)C[C@@H]2C1 ZINC001254903005 1040657402 /nfs/dbraw/zinc/65/74/02/1040657402.db2.gz VGICVISSRIFORT-FVQHAEBGSA-N 1 0 375.900 3.947 20 30 GHEDRO CCCCCCCOc1ccc(CN2CCCO[C@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235197548 1040685599 /nfs/dbraw/zinc/68/55/99/1040685599.db2.gz AFDJBNJHDPWIRH-HSZRJFAPSA-N 1 0 390.568 3.617 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](C4Cc5ccccc5C4)C3)C2)c1 ZINC001255024225 1040736538 /nfs/dbraw/zinc/73/65/38/1040736538.db2.gz FUTVYCOHCQBSHV-VWLOTQADSA-N 1 0 387.527 3.644 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCN(Cc3ccccc3)C1)[C@@H]2CC ZINC001255112472 1040798353 /nfs/dbraw/zinc/79/83/53/1040798353.db2.gz NPWFPHDUQXAZDZ-ZDXQCDESSA-N 1 0 381.564 3.683 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cc(F)c(F)c(F)c3F)C2)C1 ZINC001235343235 1040813945 /nfs/dbraw/zinc/81/39/45/1040813945.db2.gz URCBTGNHWSVQQB-LJQANCHMSA-N 1 0 386.389 3.854 20 30 GHEDRO O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1cc(F)c(F)c(F)c1F)CC2 ZINC001235361170 1040846021 /nfs/dbraw/zinc/84/60/21/1040846021.db2.gz OXAJWYZTPALMDI-UHFFFAOYSA-N 1 0 398.322 3.620 20 30 GHEDRO C[C@H]1C[NH2+]CCN1Cc1cc(Oc2ccc(C#N)cc2)ccc1Br ZINC001235361817 1040846060 /nfs/dbraw/zinc/84/60/60/1040846060.db2.gz SRJVZWUVWXBYSU-AWEZNQCLSA-N 1 0 386.293 3.907 20 30 GHEDRO C=CCC1(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)CCCC1 ZINC001255153724 1040878254 /nfs/dbraw/zinc/87/82/54/1040878254.db2.gz OXNFKLIXNUHORA-UHFFFAOYSA-N 1 0 385.552 3.856 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@H]4C[C@@H](C3)[NH2+]4)c2)cc1 ZINC001235414232 1040921927 /nfs/dbraw/zinc/92/19/27/1040921927.db2.gz GKJFKZIXPYVYAW-IYBDPMFKSA-N 1 0 384.277 3.659 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC001235476415 1040953322 /nfs/dbraw/zinc/95/33/22/1040953322.db2.gz OHSGKZVEPDAHIN-QFIPXVFZSA-N 1 0 390.531 3.967 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)CC1 ZINC001235484125 1040955763 /nfs/dbraw/zinc/95/57/63/1040955763.db2.gz GSWJSFXJXRAITI-NRFANRHFSA-N 1 0 393.535 3.581 20 30 GHEDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)C1 ZINC001255371576 1040966990 /nfs/dbraw/zinc/96/69/90/1040966990.db2.gz PGFNWPYPOBOVQS-QZTJIDSGSA-N 1 0 386.492 3.532 20 30 GHEDRO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccc3CC#N)O2)cs1 ZINC001235513472 1040969089 /nfs/dbraw/zinc/96/90/89/1040969089.db2.gz JIDDIDVBVSNXEJ-BHDDXSALSA-N 1 0 397.544 3.856 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CC#N)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255426188 1041022938 /nfs/dbraw/zinc/02/29/38/1041022938.db2.gz FBXJVRTVBNMNJR-IRXDYDNUSA-N 1 0 397.479 3.539 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])NC3CCC(OC)CC3)c3ccccc32)cc1 ZINC001255453507 1041057845 /nfs/dbraw/zinc/05/78/45/1041057845.db2.gz AWUDKYGZHMIALM-UHFFFAOYSA-N 1 0 392.503 3.756 20 30 GHEDRO CN1CCC[C@@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001255473213 1041074983 /nfs/dbraw/zinc/07/49/83/1041074983.db2.gz PYGJUTIBIGJSHT-CQSZACIVSA-N 1 0 399.541 3.982 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)CC(=O)N1CCOCC1 ZINC001256350319 1041708187 /nfs/dbraw/zinc/70/81/87/1041708187.db2.gz UCAVAVUSNXANMW-VQTJNVASSA-N 1 0 391.515 3.759 20 30 GHEDRO C[C@H]1C[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CCN1C(=O)OC(C)(C)C ZINC001256460189 1041742059 /nfs/dbraw/zinc/74/20/59/1041742059.db2.gz YXFHQLOCAKXKTO-MAUKXSAKSA-N 1 0 382.508 3.975 20 30 GHEDRO C=CCOCc1nn(C)c2c1CN(Cc1c(C)cc(Cl)nc1Cl)CC2 ZINC001236602718 1041775209 /nfs/dbraw/zinc/77/52/09/1041775209.db2.gz PHSPIBZVFKZLGJ-UHFFFAOYSA-N 1 0 381.307 3.691 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(OC(F)(F)F)cc1Cl ZINC001278021313 1041937110 /nfs/dbraw/zinc/93/71/10/1041937110.db2.gz STVPTQTUDYQKMH-HZPDHXFCSA-N 1 0 388.817 3.990 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cc3sccc3nc2Cl)CC1 ZINC001236875260 1041937240 /nfs/dbraw/zinc/93/72/40/1041937240.db2.gz UDVBRFXLJCYTOS-UHFFFAOYSA-N 1 0 390.984 3.741 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3c(O)ccc(F)c3Cl)CC2)C1=O ZINC001278023091 1041940590 /nfs/dbraw/zinc/94/05/90/1041940590.db2.gz KETGJFUDJSFXAU-FQEVSTJZSA-N 1 0 380.891 3.965 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1Cl)C2 ZINC001236918524 1041957955 /nfs/dbraw/zinc/95/79/55/1041957955.db2.gz CIQUSQRSXNORPJ-FPOVZHCZSA-N 1 0 387.911 3.852 20 30 GHEDRO COCCCN(Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236950098 1041968164 /nfs/dbraw/zinc/96/81/64/1041968164.db2.gz ZUBCULSOCRAPTJ-HSZRJFAPSA-N 1 0 378.520 3.527 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(F)c(N3CCOCC3)c2)C1 ZINC001236961390 1041970805 /nfs/dbraw/zinc/97/08/05/1041970805.db2.gz RICHWBLLPHDSOX-FQEVSTJZSA-N 1 0 395.478 3.577 20 30 GHEDRO C=CC1(CC(=O)N[C@@]2(C(=O)OC)CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC001278051286 1042031716 /nfs/dbraw/zinc/03/17/16/1042031716.db2.gz RHASYXBEVHOKDV-DEOSSOPVSA-N 1 0 398.547 3.837 20 30 GHEDRO CCCCN(CCC#N)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237097288 1042033382 /nfs/dbraw/zinc/03/33/82/1042033382.db2.gz XITDWNPDTPAOLK-UHFFFAOYSA-N 1 0 393.373 3.717 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237137185 1042059440 /nfs/dbraw/zinc/05/94/40/1042059440.db2.gz MGZQQZOPCNNQHB-RTBURBONSA-N 1 0 385.426 3.985 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccccc1NC(=O)C(C)(C)C)C2 ZINC001237396862 1042189544 /nfs/dbraw/zinc/18/95/44/1042189544.db2.gz PHIMRWOLHWVPMD-AUSIDOKSSA-N 1 0 386.536 3.997 20 30 GHEDRO COCCO[C@@H]1CCC2(CC[NH+](Cc3ccnc(C#N)c3)CC2)c2ccccc21 ZINC001237463810 1042218812 /nfs/dbraw/zinc/21/88/12/1042218812.db2.gz NEFPUHUDJWRQKT-HSZRJFAPSA-N 1 0 391.515 3.985 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c2cc(C#N)ccc21 ZINC001237467384 1042220457 /nfs/dbraw/zinc/22/04/57/1042220457.db2.gz CPVBKMFPGQFNOW-QFIPXVFZSA-N 1 0 390.512 3.740 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(C)c(F)cc3Br)C2)C1=O ZINC001237505327 1042240595 /nfs/dbraw/zinc/24/05/95/1042240595.db2.gz BWFBAFCJBGRNBU-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c(F)cc1F ZINC001237525311 1042250636 /nfs/dbraw/zinc/25/06/36/1042250636.db2.gz CWVRKCBNJSFPRS-QHCPKHFHSA-N 1 0 393.437 3.737 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCC)c(F)c3)C2)C1 ZINC001237951903 1042435426 /nfs/dbraw/zinc/43/54/26/1042435426.db2.gz LFRMZODSNBAJSJ-NRFANRHFSA-N 1 0 376.472 3.835 20 30 GHEDRO COc1ccc(C(F)(F)F)c(CN2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001238050673 1042474371 /nfs/dbraw/zinc/47/43/71/1042474371.db2.gz MABSLQYNKHOFJF-UHFFFAOYSA-N 1 0 375.394 3.908 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)c(Cl)c1 ZINC001238083363 1042486111 /nfs/dbraw/zinc/48/61/11/1042486111.db2.gz RFIVRDZSLQIPGC-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO C=CCN1CCN(Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC001238116486 1042496317 /nfs/dbraw/zinc/49/63/17/1042496317.db2.gz WGMIAYVEVADLLY-UHFFFAOYSA-N 1 0 382.504 3.586 20 30 GHEDRO N#Cc1cc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001238191597 1042514951 /nfs/dbraw/zinc/51/49/51/1042514951.db2.gz SWHCSUDRZJRRAM-QUCCMNQESA-N 1 0 385.870 3.688 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001238195744 1042515942 /nfs/dbraw/zinc/51/59/42/1042515942.db2.gz KXEOJPHRZFPHNX-QILLFSRXSA-N 1 0 375.900 3.947 20 30 GHEDRO COc1cc(C[NH+]2CCC3(CC(NC(=O)OC(C)(C)C)C3)CC2)ccc1C#N ZINC001238411065 1042587388 /nfs/dbraw/zinc/58/73/88/1042587388.db2.gz YBBDDPXQFGODHV-UHFFFAOYSA-N 1 0 385.508 3.836 20 30 GHEDRO COc1cc(CN2CCN(c3ccc(F)c(Cl)c3F)CC2)ccc1C#N ZINC001238412704 1042587867 /nfs/dbraw/zinc/58/78/67/1042587867.db2.gz JHOBELKWBUWJRP-UHFFFAOYSA-N 1 0 377.822 3.821 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)ccc1C#N ZINC001238760124 1042717945 /nfs/dbraw/zinc/71/79/45/1042717945.db2.gz FHGOOTALZKMJSG-JOCHJYFZSA-N 1 0 377.488 3.718 20 30 GHEDRO CCc1cc(C[N@H+](CCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238770201 1042720906 /nfs/dbraw/zinc/72/09/06/1042720906.db2.gz YYDROWFZQOEFSS-HXUWFJFHSA-N 1 0 387.524 3.578 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001238813964 1042737634 /nfs/dbraw/zinc/73/76/34/1042737634.db2.gz LYVRTZFFHZTIMK-UHFFFAOYSA-N 1 0 395.613 3.806 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc2nc(N3CC[NH2+]CC3)sc2n1 ZINC001238845454 1042741472 /nfs/dbraw/zinc/74/14/72/1042741472.db2.gz LHEXEBWYDWNILM-UHFFFAOYSA-N 1 0 389.406 3.658 20 30 GHEDRO N#Cc1cc(S(=O)(=O)N(CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1F ZINC001239165690 1042777674 /nfs/dbraw/zinc/77/76/74/1042777674.db2.gz NWSLCYQHXGXJNE-IYARVYRRSA-N 1 0 393.528 3.538 20 30 GHEDRO N#Cc1ccc(F)c(S(=O)(=O)N(CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001239166036 1042778232 /nfs/dbraw/zinc/77/82/32/1042778232.db2.gz SGVQKYCPHGIYMK-IYARVYRRSA-N 1 0 393.528 3.538 20 30 GHEDRO CC(C)(C)OC(=O)c1c2c(sc1NC(=O)Nc1cccc(C#N)c1)C[NH2+]CC2 ZINC001239185039 1042782100 /nfs/dbraw/zinc/78/21/00/1042782100.db2.gz QOYWVCDZSANDPB-UHFFFAOYSA-N 1 0 398.488 3.865 20 30 GHEDRO [NH3+][C@H]1CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(F)(F)C1 ZINC001239265058 1042799327 /nfs/dbraw/zinc/79/93/27/1042799327.db2.gz SQKCKGNDOKRZAD-SECBINFHSA-N 1 0 391.262 3.924 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001239293304 1042803806 /nfs/dbraw/zinc/80/38/06/1042803806.db2.gz FIVLEOZNLRETAE-UHFFFAOYSA-N 1 0 380.621 3.987 20 30 GHEDRO [NH3+][C@H]1CN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1F ZINC001239440951 1042830312 /nfs/dbraw/zinc/83/03/12/1042830312.db2.gz LDQRZAMDBWUCDF-MNOVXSKESA-N 1 0 389.340 3.792 20 30 GHEDRO N#Cc1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240356349 1042923132 /nfs/dbraw/zinc/92/31/32/1042923132.db2.gz QHMDLGNXLBRVKF-UHFFFAOYSA-N 1 0 395.528 3.523 20 30 GHEDRO Cc1cnc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)c(C#C[Si](C)(C)C)c1 ZINC001240814645 1042955816 /nfs/dbraw/zinc/95/58/16/1042955816.db2.gz GLGVRGNTEXHULY-UHFFFAOYSA-N 1 0 389.575 3.859 20 30 GHEDRO CN1C(=O)CCc2cc(-c3ccc(OC4CC[NH2+]CC4)c(C#N)c3)cc(Cl)c21 ZINC001240911511 1042964500 /nfs/dbraw/zinc/96/45/00/1042964500.db2.gz AKULTZYSZHPZNL-UHFFFAOYSA-N 1 0 395.890 3.918 20 30 GHEDRO C[C@@H]1C[C@@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001291038942 1043048657 /nfs/dbraw/zinc/04/86/57/1043048657.db2.gz VZTPSBUDCUQCND-XLIONFOSSA-N 1 0 392.551 3.956 20 30 GHEDRO CC[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001291489080 1043301153 /nfs/dbraw/zinc/30/11/53/1043301153.db2.gz XZMLTERZEULFEG-IEBWSBKVSA-N 1 0 384.572 3.939 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(CC(C)C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001291777347 1043459054 /nfs/dbraw/zinc/45/90/54/1043459054.db2.gz BRGHYBWSQZQECJ-GOSISDBHSA-N 1 0 382.556 3.715 20 30 GHEDRO Cc1ccc(CN(C(=O)NCC#CC[NH+](C)C)[C@@H]2CCc3ccccc32)cc1 ZINC001256578429 1043550922 /nfs/dbraw/zinc/55/09/22/1043550922.db2.gz AYBFJBDPTLROGU-HSZRJFAPSA-N 1 0 375.516 3.759 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC001256603612 1043567763 /nfs/dbraw/zinc/56/77/63/1043567763.db2.gz HYLZJRBZFZFMDE-DEOSSOPVSA-N 1 0 397.563 3.762 20 30 GHEDRO CCc1ccc([C@H](Cn2c(C)nnc2N(CCC#N)CC2CC2)[NH+](C)C)cc1 ZINC001292456369 1043741955 /nfs/dbraw/zinc/74/19/55/1043741955.db2.gz DGCSCUATGXSVNW-NRFANRHFSA-N 1 0 380.540 3.582 20 30 GHEDRO C=CCN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)CC1 ZINC001256948396 1043768765 /nfs/dbraw/zinc/76/87/65/1043768765.db2.gz PTWSKIIGHSTIRQ-LEWJYISDSA-N 1 0 385.552 3.931 20 30 GHEDRO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)CC1 ZINC001256948407 1043769008 /nfs/dbraw/zinc/76/90/08/1043769008.db2.gz PTWSKIIGHSTIRQ-RTWAWAEBSA-N 1 0 385.552 3.931 20 30 GHEDRO N#CC1CCC([N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CC1 ZINC001256966290 1043775937 /nfs/dbraw/zinc/77/59/37/1043775937.db2.gz FSROBPXNGXPYOT-ZRDBQHMHSA-N 1 0 381.520 3.512 20 30 GHEDRO N#CC1CCC([N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001256968403 1043776534 /nfs/dbraw/zinc/77/65/34/1043776534.db2.gz SXTGXRZEIXYKEJ-LADRWXRNSA-N 1 0 378.442 3.841 20 30 GHEDRO CCOC(=O)C1(NC2CCC(c3ccc(C#N)cc3)CC2)CC[NH+](CC)CC1 ZINC001257015067 1043799491 /nfs/dbraw/zinc/79/94/91/1043799491.db2.gz UBXXBCCDVIOKLO-UHFFFAOYSA-N 1 0 383.536 3.592 20 30 GHEDRO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257019664 1043806261 /nfs/dbraw/zinc/80/62/61/1043806261.db2.gz TWPWOCPOOHHWDW-LZBANZJXSA-N 1 0 397.563 3.980 20 30 GHEDRO C[C@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C1CCN(S(C)(=O)=O)CC1 ZINC001257241568 1043943317 /nfs/dbraw/zinc/94/33/17/1043943317.db2.gz WJXUDYBREDMAQY-GOSISDBHSA-N 1 0 397.544 3.545 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(N2CCCCCC2)nc1)C(C)C ZINC001292958589 1043965203 /nfs/dbraw/zinc/96/52/03/1043965203.db2.gz XICGYCPMEDZRGA-NRFANRHFSA-N 1 0 384.568 3.890 20 30 GHEDRO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCCC1 ZINC001293305708 1044101913 /nfs/dbraw/zinc/10/19/13/1044101913.db2.gz RZKWUFIXBWAKJB-NQIIRXRSSA-N 1 0 392.551 3.927 20 30 GHEDRO C[NH+]1CCC(C#N)(NC2CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001257767837 1044155415 /nfs/dbraw/zinc/15/54/15/1044155415.db2.gz CULFOAVYROVLME-UHFFFAOYSA-N 1 0 390.572 3.524 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3COc4ccc(Cl)cc4C3)CC2)cc1 ZINC001257947473 1044267048 /nfs/dbraw/zinc/26/70/48/1044267048.db2.gz KHDHRYBOPLZGLR-OAQYLSRUSA-N 1 0 381.907 3.769 20 30 GHEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001258046713 1044368688 /nfs/dbraw/zinc/36/86/88/1044368688.db2.gz CSKBDVGNORFSPU-RYFAJOAYSA-N 1 0 387.568 3.897 20 30 GHEDRO CCCCCCC[C@@H](C)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)S(=O)(=O)CC ZINC001258046839 1044369308 /nfs/dbraw/zinc/36/93/08/1044369308.db2.gz DZLLJXDHDWZKNU-HSALFYBXSA-N 1 0 388.618 3.688 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3cccn3C)CCO[C@@H]2C1 ZINC001258047734 1044369579 /nfs/dbraw/zinc/36/95/79/1044369579.db2.gz NUATUKVWDKSZAV-IRFCIJBXSA-N 1 0 375.557 3.547 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001258046712 1044369760 /nfs/dbraw/zinc/36/97/60/1044369760.db2.gz CSKBDVGNORFSPU-JKLQHZFJSA-N 1 0 387.568 3.897 20 30 GHEDRO CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001294430438 1044624977 /nfs/dbraw/zinc/62/49/77/1044624977.db2.gz ZNHQOJILSKYIHF-MSOLQXFVSA-N 1 0 380.540 3.783 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1(C)C ZINC001258562109 1044640076 /nfs/dbraw/zinc/64/00/76/1044640076.db2.gz NVEDBVFRVREWSP-HXUWFJFHSA-N 1 0 398.551 3.858 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)C1 ZINC001294468752 1044649034 /nfs/dbraw/zinc/64/90/34/1044649034.db2.gz PNVMOTDNEGBPPH-QGZVFWFLSA-N 1 0 396.539 3.617 20 30 GHEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577775 1044652742 /nfs/dbraw/zinc/65/27/42/1044652742.db2.gz GPLPPFYGNXUMLP-NRFANRHFSA-N 1 0 386.499 3.768 20 30 GHEDRO COc1cc(C[C@@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)cc(OC)c1OC ZINC001258860415 1044799334 /nfs/dbraw/zinc/79/93/34/1044799334.db2.gz PSBKDAXTGRFSBO-OAHLLOKOSA-N 1 0 393.487 3.844 20 30 GHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)CC1)C(C)C ZINC001295826885 1045155857 /nfs/dbraw/zinc/15/58/57/1045155857.db2.gz FCTZTGGKRDFKIJ-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CC[NH+]1CCC(CCn2c(CC(C)C)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296025157 1045224403 /nfs/dbraw/zinc/22/44/03/1045224403.db2.gz NPXQKEKSNNVCKP-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO C=CCOc1ccc(CC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)cc1 ZINC001296189862 1045278101 /nfs/dbraw/zinc/27/81/01/1045278101.db2.gz OROVXFOMRZHAMQ-JOCHJYFZSA-N 1 0 378.516 3.917 20 30 GHEDRO CC[C@@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)CCN1Cc1ccccc1 ZINC001296190834 1045278401 /nfs/dbraw/zinc/27/84/01/1045278401.db2.gz URDHAYMXBLTRNT-LJQANCHMSA-N 1 0 383.442 3.773 20 30 GHEDRO C=CCC1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CCCC1 ZINC001297803840 1045625458 /nfs/dbraw/zinc/62/54/58/1045625458.db2.gz LOWBZLKZPFIOIP-ZJSXRUAMSA-N 1 0 382.548 3.778 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001298041400 1045685401 /nfs/dbraw/zinc/68/54/01/1045685401.db2.gz WCNOWIXKPADTFU-INIZCTEOSA-N 1 0 384.528 3.602 20 30 GHEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001298169652 1045721234 /nfs/dbraw/zinc/72/12/34/1045721234.db2.gz FXXCBBMFPCQCLX-GOSISDBHSA-N 1 0 393.572 3.713 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C(F)(F)c2ccccc2C#N)CCC1 ZINC001298267147 1045758677 /nfs/dbraw/zinc/75/86/77/1045758677.db2.gz ITSHQFOEGHPBGZ-UHFFFAOYSA-N 1 0 383.442 3.821 20 30 GHEDRO C[NH+]1CCC2(CCC(NC(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)CC1 ZINC001298498805 1045836924 /nfs/dbraw/zinc/83/69/24/1045836924.db2.gz IOEVKLAZOKOXFB-UHFFFAOYSA-N 1 0 378.476 3.598 20 30 GHEDRO CN(CC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001298522309 1045852735 /nfs/dbraw/zinc/85/27/35/1045852735.db2.gz LRPWPWKKODGNPB-UHFFFAOYSA-N 1 0 392.551 3.929 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCc3c(C#N)cccc32)cc1 ZINC001261929269 1046136765 /nfs/dbraw/zinc/13/67/65/1046136765.db2.gz YYGYNONJEPULQG-UHFFFAOYSA-N 1 0 377.488 3.872 20 30 GHEDRO C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)[NH+](C)C ZINC001300920963 1046243244 /nfs/dbraw/zinc/24/32/44/1046243244.db2.gz JRXXBIMZUAPAAU-LJQANCHMSA-N 1 0 385.556 3.826 20 30 GHEDRO C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001301017025 1046292487 /nfs/dbraw/zinc/29/24/87/1046292487.db2.gz FQIXBFVULLJIDB-OAHLLOKOSA-N 1 0 393.988 3.970 20 30 GHEDRO C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001301019384 1046293531 /nfs/dbraw/zinc/29/35/31/1046293531.db2.gz IKWCOHNEHDIDGU-JKSUJKDBSA-N 1 0 389.931 3.625 20 30 GHEDRO C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001301050108 1046309212 /nfs/dbraw/zinc/30/92/12/1046309212.db2.gz KUSFZKWMRDDGIP-UHFFFAOYSA-N 1 0 387.959 3.594 20 30 GHEDRO C=C1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001301063562 1046316143 /nfs/dbraw/zinc/31/61/43/1046316143.db2.gz DHDLBDDUFISUEG-LJQANCHMSA-N 1 0 397.567 3.937 20 30 GHEDRO C=C1CCN(c2nnc(COCC)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001301097495 1046340049 /nfs/dbraw/zinc/34/00/49/1046340049.db2.gz YMASZQFYBLTSQM-UHFFFAOYSA-N 1 0 397.567 3.860 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001301119332 1046355915 /nfs/dbraw/zinc/35/59/15/1046355915.db2.gz FJJWMYPWWWBYQE-SFHVURJKSA-N 1 0 383.515 3.971 20 30 GHEDRO C=CC1CCN(c2nnc(CCc3ccccc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001301129808 1046363245 /nfs/dbraw/zinc/36/32/45/1046363245.db2.gz CBYYVWNIRAJPHH-UHFFFAOYSA-N 1 0 381.568 3.806 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001262944751 1046442101 /nfs/dbraw/zinc/44/21/01/1046442101.db2.gz WPKRNBXANACJBR-VQTJNVASSA-N 1 0 392.551 3.830 20 30 GHEDRO C=CCn1c(CC(C)(C)C#N)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001262945935 1046442859 /nfs/dbraw/zinc/44/28/59/1046442859.db2.gz DFZPVADDHDVCGQ-LJQANCHMSA-N 1 0 392.551 3.515 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001301281274 1046451464 /nfs/dbraw/zinc/45/14/64/1046451464.db2.gz KAGJTLRWKLYCOS-OAHLLOKOSA-N 1 0 386.887 3.512 20 30 GHEDRO C=CCn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1C(C#N)(CC)CC ZINC001262993018 1046477348 /nfs/dbraw/zinc/47/73/48/1046477348.db2.gz NUZORMHJLNNEFO-UHFFFAOYSA-N 1 0 384.572 3.890 20 30 GHEDRO C=CCN(c1nnc(Cc2ccsc2)n1CC[NH+]1CCCCCC1)C1CC1 ZINC001301329920 1046493373 /nfs/dbraw/zinc/49/33/73/1046493373.db2.gz PTLQDFGPHPGGTE-UHFFFAOYSA-N 1 0 385.581 3.961 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC=C(C)C1)C(C)C ZINC001301366374 1046510927 /nfs/dbraw/zinc/51/09/27/1046510927.db2.gz BHNKSIGLJOJGRO-SFTDATJTSA-N 1 0 399.583 3.637 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001301384495 1046519032 /nfs/dbraw/zinc/51/90/32/1046519032.db2.gz QIUASCYAOVVNTP-FQEVSTJZSA-N 1 0 390.535 3.727 20 30 GHEDRO C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001301530291 1046582781 /nfs/dbraw/zinc/58/27/81/1046582781.db2.gz ROKYRACAHGJMED-RBUKOAKNSA-N 1 0 397.567 3.934 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCC[C@@H](C)C1 ZINC001263278677 1046671125 /nfs/dbraw/zinc/67/11/25/1046671125.db2.gz ONQMAXAHOYWSSO-QUCCMNQESA-N 1 0 387.572 3.797 20 30 GHEDRO N#Cc1cc(C(=O)O[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cs1 ZINC001263612718 1046997106 /nfs/dbraw/zinc/99/71/06/1046997106.db2.gz RQDCHJRSBJQOMR-LJQANCHMSA-N 1 0 396.512 3.990 20 30 GHEDRO CC[N@H+](CCC1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2CC2CC2)CC1)CC1CC1 ZINC001263740210 1047082457 /nfs/dbraw/zinc/08/24/57/1047082457.db2.gz LTVHZMHZGODOIW-LEWJYISDSA-N 1 0 396.583 3.654 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001302921151 1047190963 /nfs/dbraw/zinc/19/09/63/1047190963.db2.gz WKJAKGXCOMZRQM-SIKLNZKXSA-N 1 0 386.588 3.871 20 30 GHEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCC2)CC1 ZINC001303465108 1047397575 /nfs/dbraw/zinc/39/75/75/1047397575.db2.gz ROLQITOCWKRPHG-UHFFFAOYSA-N 1 0 392.551 3.974 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001303694859 1047483711 /nfs/dbraw/zinc/48/37/11/1047483711.db2.gz GOMJCUVZNWXHEZ-MRXNPFEDSA-N 1 0 394.548 3.507 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC001303744434 1047502575 /nfs/dbraw/zinc/50/25/75/1047502575.db2.gz CIDFXCIEBSUCMH-QYZOEREBSA-N 1 0 392.551 3.641 20 30 GHEDRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(C#N)CC1)C[NH+]1CCCCC1 ZINC001303754861 1047504762 /nfs/dbraw/zinc/50/47/62/1047504762.db2.gz YXLRHBFHWZHWEH-LJQANCHMSA-N 1 0 392.551 3.807 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CC2)C1 ZINC001304924672 1047809390 /nfs/dbraw/zinc/80/93/90/1047809390.db2.gz KFCUKWVDKRXZDJ-ROUUACIJSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCCC2)C1 ZINC001305049126 1047856967 /nfs/dbraw/zinc/85/69/67/1047856967.db2.gz ODVLWZXPEKRDBL-LJQANCHMSA-N 1 0 392.551 3.929 20 30 GHEDRO CC1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCC2CC2)CC1 ZINC001305107750 1047906821 /nfs/dbraw/zinc/90/68/21/1047906821.db2.gz OUMWGQLVYCDKFG-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO CCCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CC(CC#N)C1 ZINC001279872436 1047975921 /nfs/dbraw/zinc/97/59/21/1047975921.db2.gz UIELEPIAVYSEFR-LJQANCHMSA-N 1 0 377.598 3.917 20 30 GHEDRO CCCCCCCNC(=S)N1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001279956991 1048011686 /nfs/dbraw/zinc/01/16/86/1048011686.db2.gz GNAGNWWCEXAXOU-NRFANRHFSA-N 1 0 382.662 3.571 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2cc(Cl)cc(Cl)c2)C3)C1 ZINC001280009486 1048047000 /nfs/dbraw/zinc/04/70/00/1048047000.db2.gz JQESZESJQWVGQE-HGKCTWBKSA-N 1 0 392.330 3.823 20 30 GHEDRO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](CCCc2ccc(Cl)c(Cl)c2)C3)C1 ZINC001280055081 1048065649 /nfs/dbraw/zinc/06/56/49/1048065649.db2.gz RQSNMZHRJOIKMM-MRXNPFEDSA-N 1 0 392.330 3.620 20 30 GHEDRO CS[C@H](C)CC[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280222577 1048130761 /nfs/dbraw/zinc/13/07/61/1048130761.db2.gz DDDYOFRDCQGSGO-ARGWCVDVSA-N 1 0 389.590 3.901 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001286275059 1048247383 /nfs/dbraw/zinc/24/73/83/1048247383.db2.gz QLSRFKZDSUVADY-GOSISDBHSA-N 1 0 389.613 3.611 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001286278582 1048249920 /nfs/dbraw/zinc/24/99/20/1048249920.db2.gz DYJLZCQCMCJCPJ-DYESRHJHSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001286282710 1048252788 /nfs/dbraw/zinc/25/27/88/1048252788.db2.gz PGGIWESZCMXHIZ-UTKZUKDTSA-N 1 0 397.567 3.778 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](CC)[NH+]1CCCC1 ZINC001286284332 1048254634 /nfs/dbraw/zinc/25/46/34/1048254634.db2.gz BEKQPOHHSJXMEB-ROUUACIJSA-N 1 0 390.535 3.759 20 30 GHEDRO C#CCCCCn1c(CC2CC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001286333423 1048275033 /nfs/dbraw/zinc/27/50/33/1048275033.db2.gz GZTQWUBOBRYPPI-JOCHJYFZSA-N 1 0 397.611 3.982 20 30 GHEDRO C#CCN(C)c1nnc(CCc2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286378931 1048300066 /nfs/dbraw/zinc/30/00/66/1048300066.db2.gz ZJOPJZAMKRZLJR-HXUWFJFHSA-N 1 0 393.579 3.643 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286418455 1048312697 /nfs/dbraw/zinc/31/26/97/1048312697.db2.gz CBVUNXRXYGXYRU-SFTDATJTSA-N 1 0 397.611 3.797 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286418454 1048313033 /nfs/dbraw/zinc/31/30/33/1048313033.db2.gz CBVUNXRXYGXYRU-OYRHEFFESA-N 1 0 397.611 3.797 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCC[NH+](CC)CC ZINC001286441624 1048323543 /nfs/dbraw/zinc/32/35/43/1048323543.db2.gz AVPNBSKWQWHPEC-UHFFFAOYSA-N 1 0 392.551 3.628 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC1CC[NH+](CCC)CC1 ZINC001286521763 1048348199 /nfs/dbraw/zinc/34/81/99/1048348199.db2.gz CNCVMMTUQVZLJE-HSZRJFAPSA-N 1 0 385.600 3.981 20 30 GHEDRO C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286540743 1048356093 /nfs/dbraw/zinc/35/60/93/1048356093.db2.gz CZTSFADLLCDKKW-GJZGRUSLSA-N 1 0 398.393 3.694 20 30 GHEDRO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286570589 1048368432 /nfs/dbraw/zinc/36/84/32/1048368432.db2.gz CHVNBXUADWDWGN-LJQANCHMSA-N 1 0 382.556 3.865 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286579627 1048372970 /nfs/dbraw/zinc/37/29/70/1048372970.db2.gz QGSPMEQUVQUMFO-PKOBYXMFSA-N 1 0 387.528 3.818 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286580031 1048374264 /nfs/dbraw/zinc/37/42/64/1048374264.db2.gz XTYKLVGQVADWFU-HXUWFJFHSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286604920 1048383758 /nfs/dbraw/zinc/38/37/58/1048383758.db2.gz DUEJZHLYMZKHOZ-UHFFFAOYSA-N 1 0 383.540 3.505 20 30 GHEDRO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001306078677 1048396639 /nfs/dbraw/zinc/39/66/39/1048396639.db2.gz BUPIGTCTUUPQAB-OAQYLSRUSA-N 1 0 394.567 3.717 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001286631924 1048399799 /nfs/dbraw/zinc/39/97/99/1048399799.db2.gz BAIWZWNGDUKXTB-UHFFFAOYSA-N 1 0 393.988 3.994 20 30 GHEDRO C=C(Cl)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001286631127 1048399885 /nfs/dbraw/zinc/39/98/85/1048399885.db2.gz ZMYGOCYTXVSBLY-UHFFFAOYSA-N 1 0 387.959 3.860 20 30 GHEDRO C=CC1CCN(c2nnc(COCC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001286665792 1048431861 /nfs/dbraw/zinc/43/18/61/1048431861.db2.gz OUCXZLYCRDTIAJ-HXUWFJFHSA-N 1 0 389.588 3.585 20 30 GHEDRO CCc1nnc(N2CCC(C)(C#N)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306121590 1048443729 /nfs/dbraw/zinc/44/37/29/1048443729.db2.gz BILHZPBUFWTHPG-OALUTQOASA-N 1 0 386.588 3.729 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[N@@H+](C)C(C)C ZINC001286715087 1048471151 /nfs/dbraw/zinc/47/11/51/1048471151.db2.gz VXLSYKHQGOJHPF-MRXNPFEDSA-N 1 0 375.492 3.520 20 30 GHEDRO CCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001306160341 1048478767 /nfs/dbraw/zinc/47/87/67/1048478767.db2.gz WVZXKVUBMFRTPH-SIKLNZKXSA-N 1 0 384.572 3.768 20 30 GHEDRO C=CCN(C)c1nnc(C2CCCC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001286723362 1048479777 /nfs/dbraw/zinc/47/97/77/1048479777.db2.gz MRPSHKHFVJSBAF-UHFFFAOYSA-N 1 0 387.572 3.593 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001286724536 1048481915 /nfs/dbraw/zinc/48/19/15/1048481915.db2.gz OBESWOFMWHEXBS-INIZCTEOSA-N 1 0 375.948 3.875 20 30 GHEDRO C=CCN(C)c1nnc(CC2CC2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001286729913 1048487514 /nfs/dbraw/zinc/48/75/14/1048487514.db2.gz GVFKHBUYGRVVAI-HXUWFJFHSA-N 1 0 395.551 3.699 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286753484 1048506145 /nfs/dbraw/zinc/50/61/45/1048506145.db2.gz DHLGNPZYTQOJHU-GOSISDBHSA-N 1 0 393.535 3.616 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286770676 1048519984 /nfs/dbraw/zinc/51/99/84/1048519984.db2.gz IMJZGTPYJAEGBQ-INIZCTEOSA-N 1 0 387.503 3.664 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001286800874 1048529112 /nfs/dbraw/zinc/52/91/12/1048529112.db2.gz RYGZBILJNWOTQF-OALUTQOASA-N 1 0 389.588 3.621 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286964040 1048556644 /nfs/dbraw/zinc/55/66/44/1048556644.db2.gz ABTRHFHWZRQAJS-CRAIPNDOSA-N 1 0 396.470 3.576 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1([NH+](C)C)CCC1 ZINC001286966908 1048558668 /nfs/dbraw/zinc/55/86/68/1048558668.db2.gz WLJJTNWYNAOKCW-MRXNPFEDSA-N 1 0 391.523 3.507 20 30 GHEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC1)[NH+](C)C ZINC001287321174 1048715327 /nfs/dbraw/zinc/71/53/27/1048715327.db2.gz BSGRIHOZSYQCLI-FQEVSTJZSA-N 1 0 380.540 3.782 20 30 GHEDRO C=CCOc1cccnc1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001287391457 1048753182 /nfs/dbraw/zinc/75/31/82/1048753182.db2.gz PHSNPUCVXGGTML-UHFFFAOYSA-N 1 0 379.504 3.679 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001287694416 1048892371 /nfs/dbraw/zinc/89/23/71/1048892371.db2.gz SMPAMKKDQXHFQC-SELNLUPBSA-N 1 0 375.516 3.621 20 30 GHEDRO C=CC[C@@]1(C(=O)NC2CCC(C)([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001288014370 1048967287 /nfs/dbraw/zinc/96/72/87/1048967287.db2.gz VYXAFSCWPBXRDF-IVXJCAOYSA-N 1 0 393.572 3.711 20 30 GHEDRO N#Cc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ncc1Br ZINC001306959297 1048980489 /nfs/dbraw/zinc/98/04/89/1048980489.db2.gz RJFUKDQHBPNKCQ-INIZCTEOSA-N 1 0 385.309 3.692 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(CC3CCCC3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001307043079 1049036903 /nfs/dbraw/zinc/03/69/03/1049036903.db2.gz YSQZAXZDBWKBNQ-GOSISDBHSA-N 1 0 386.588 3.729 20 30 GHEDRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001307043371 1049037572 /nfs/dbraw/zinc/03/75/72/1049037572.db2.gz JNKGDELNMHNOQE-AVRDEDQJSA-N 1 0 386.588 3.729 20 30 GHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)CC1 ZINC001307046302 1049039492 /nfs/dbraw/zinc/03/94/92/1049039492.db2.gz WPTYIUVSPKKVCV-JXFKEZNVSA-N 1 0 378.524 3.708 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)COc2cccc(C#N)c2)cc1C(F)(F)F ZINC001288761678 1049220893 /nfs/dbraw/zinc/22/08/93/1049220893.db2.gz JWMLBZWMMJKPSD-UHFFFAOYSA-N 1 0 377.366 3.656 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC001307489701 1049329720 /nfs/dbraw/zinc/32/97/20/1049329720.db2.gz MDMPBMOUDGZEDA-CABCVRRESA-N 1 0 380.492 3.643 20 30 GHEDRO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]2CCCC[C@H]21 ZINC001307604122 1049441948 /nfs/dbraw/zinc/44/19/48/1049441948.db2.gz QQPUFFHTRQOQSC-AYOQOUSVSA-N 1 0 378.438 3.684 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[C@H](C)[C@@H]1OC ZINC001307746959 1049559872 /nfs/dbraw/zinc/55/98/72/1049559872.db2.gz VXZPEYCUGNUHQR-CTGLCYIJSA-N 1 0 377.573 3.735 20 30 GHEDRO C#Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001289619959 1049564312 /nfs/dbraw/zinc/56/43/12/1049564312.db2.gz OIXYWSXGSYKPHJ-NHCUHLMSSA-N 1 0 387.508 3.979 20 30 GHEDRO CO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCC2 ZINC001307776153 1049584761 /nfs/dbraw/zinc/58/47/61/1049584761.db2.gz RBBBBXCTIBRDFS-WOJBJXKFSA-N 1 0 398.551 3.920 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC001307782797 1049589018 /nfs/dbraw/zinc/58/90/18/1049589018.db2.gz AIGSVACPUGMWEI-BVSLBCMMSA-N 1 0 387.568 3.817 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)ccc1Cl ZINC001308007193 1049755630 /nfs/dbraw/zinc/75/56/30/1049755630.db2.gz XSYWWFUTFTXCCO-HOTGVXAUSA-N 1 0 377.941 3.580 20 30 GHEDRO C#CC[N@@H+](CCC(C)(C)CC(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075838 1049821913 /nfs/dbraw/zinc/82/19/13/1049821913.db2.gz RJZAAFPGRLKRBE-UHFFFAOYSA-N 1 0 394.556 3.691 20 30 GHEDRO C[C@](CO)([NH2+]CC#Cc1ccccc1Cl)c1cccc(Br)c1 ZINC001308139821 1049879561 /nfs/dbraw/zinc/87/95/61/1049879561.db2.gz NOWZSQRBFYMVIL-GOSISDBHSA-N 1 0 378.697 3.951 20 30 GHEDRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]CCNc3ccc(C#N)cn3)cc12 ZINC001308192775 1049907155 /nfs/dbraw/zinc/90/71/55/1049907155.db2.gz WUZVPHJWDQJTBF-UHFFFAOYSA-N 1 0 397.914 3.617 20 30 GHEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC001290883896 1049943093 /nfs/dbraw/zinc/94/30/93/1049943093.db2.gz JJEJPYGPUDODIA-SIKLNZKXSA-N 1 0 397.906 3.781 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001308421239 1049972039 /nfs/dbraw/zinc/97/20/39/1049972039.db2.gz BFLMGQGURGZEHL-IBGZPJMESA-N 1 0 384.524 3.503 20 30 GHEDRO C#CC1([NH2+]Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)CCCC1 ZINC001308500134 1049991457 /nfs/dbraw/zinc/99/14/57/1049991457.db2.gz KJRMIXQJLUBAKS-UHFFFAOYSA-N 1 0 384.520 3.512 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CCC(C)(C)C2)cc1OC ZINC001308548019 1050005305 /nfs/dbraw/zinc/00/53/05/1050005305.db2.gz JOLRUNKPDLSHPR-UHFFFAOYSA-N 1 0 397.357 3.844 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC(Sc4ccccc4)C3)C2=O)cc1 ZINC001308733178 1050075104 /nfs/dbraw/zinc/07/51/04/1050075104.db2.gz XUMJUZLMXVWIRP-MNLRITNHSA-N 1 0 377.513 3.572 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)n2)C1 ZINC001308808752 1050103345 /nfs/dbraw/zinc/10/33/45/1050103345.db2.gz BONUSIXRRZSYQV-XLIONFOSSA-N 1 0 384.524 3.955 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCN(c4cc(C(F)(F)F)ccn4)CC3)cc2)CC1 ZINC001308879510 1050136471 /nfs/dbraw/zinc/13/64/71/1050136471.db2.gz WCAWPFOIQMYTCP-UHFFFAOYSA-N 1 0 386.421 3.978 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001327416396 1050177315 /nfs/dbraw/zinc/17/73/15/1050177315.db2.gz RSWPUPVHPJDVRR-UHFFFAOYSA-N 1 0 391.475 3.743 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308963236 1050224246 /nfs/dbraw/zinc/22/42/46/1050224246.db2.gz ILQNFVZBIRAIRZ-HZPDHXFCSA-N 1 0 392.927 3.945 20 30 GHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1C#N ZINC001309088980 1050341896 /nfs/dbraw/zinc/34/18/96/1050341896.db2.gz YNTYSOAHKZFACP-GHTZIAJQSA-N 1 0 397.544 3.713 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)o2)c1 ZINC001330067002 1050949868 /nfs/dbraw/zinc/94/98/68/1050949868.db2.gz RLRQJUWFQGENCX-FCHUYYIVSA-N 1 0 399.498 3.577 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001310212817 1051227075 /nfs/dbraw/zinc/22/70/75/1051227075.db2.gz BEHSDULSRLFBIV-KRWDZBQOSA-N 1 0 379.464 3.740 20 30 GHEDRO N#CCc1ccnc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001331276884 1051234711 /nfs/dbraw/zinc/23/47/11/1051234711.db2.gz LDXOAPVCSDMREN-SEJPIABJSA-N 1 0 389.503 3.855 20 30 GHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001310395334 1051327480 /nfs/dbraw/zinc/32/74/80/1051327480.db2.gz VCECXWODWVUUOK-FGZHOGPDSA-N 1 0 391.540 3.788 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[NH+]2CCCC2)cc1 ZINC001310858500 1051657159 /nfs/dbraw/zinc/65/71/59/1051657159.db2.gz MIFNZHHGFSSZBW-AWEZNQCLSA-N 1 0 389.912 3.935 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)[NH+](C)C)cc1 ZINC001310859214 1051659094 /nfs/dbraw/zinc/65/90/94/1051659094.db2.gz XUCFNEBFLJVRSU-ZDUSSCGKSA-N 1 0 377.901 3.655 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001310963609 1051738418 /nfs/dbraw/zinc/73/84/18/1051738418.db2.gz PFSGQQVQXITKMI-WOVMCDHWSA-N 1 0 379.464 3.516 20 30 GHEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC001311071729 1051825229 /nfs/dbraw/zinc/82/52/29/1051825229.db2.gz BOFFJMYHGRZESX-UHFFFAOYSA-N 1 0 396.333 3.547 20 30 GHEDRO CCCN(C(=O)N[C@@H](CC#N)C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001311215238 1051946366 /nfs/dbraw/zinc/94/63/66/1051946366.db2.gz GJQXKZCXOBTZEX-ROUUACIJSA-N 1 0 396.457 3.917 20 30 GHEDRO C#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC001311263402 1051976170 /nfs/dbraw/zinc/97/61/70/1051976170.db2.gz ZCJPLWNXKDRTCV-LJQANCHMSA-N 1 0 397.906 3.734 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC001335527331 1052123924 /nfs/dbraw/zinc/12/39/24/1052123924.db2.gz LVSSCAPRMPEOGJ-QFIPXVFZSA-N 1 0 398.551 3.976 20 30 GHEDRO CN(CCCC[NH+]1CCCCC1)C(=O)NCCSCc1ccccc1C#N ZINC001311440498 1052151040 /nfs/dbraw/zinc/15/10/40/1052151040.db2.gz DLUJNHMDFMABSW-UHFFFAOYSA-N 1 0 388.581 3.699 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)C[C@H]2C1 ZINC001336170977 1052235490 /nfs/dbraw/zinc/23/54/90/1052235490.db2.gz MLZKTMMGLVCBIH-MISYRCLQSA-N 1 0 393.487 3.533 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC001336223094 1052240734 /nfs/dbraw/zinc/24/07/34/1052240734.db2.gz CCZDSSSKOSXINE-WIYYLYMNSA-N 1 0 382.460 3.878 20 30 GHEDRO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001336976733 1052372346 /nfs/dbraw/zinc/37/23/46/1052372346.db2.gz RGJFGKFXIJBFQB-QXKOCSRTSA-N 1 0 389.902 3.542 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cccs1 ZINC001337094735 1052398321 /nfs/dbraw/zinc/39/83/21/1052398321.db2.gz FHINPDWWTJGHSP-UHFFFAOYSA-N 1 0 376.551 3.529 20 30 GHEDRO C#CC[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)c1ccccc1 ZINC001311934087 1052485554 /nfs/dbraw/zinc/48/55/54/1052485554.db2.gz YBZYRPZPFWBVLK-NRFANRHFSA-N 1 0 397.563 3.864 20 30 GHEDRO C#CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001312163984 1052608799 /nfs/dbraw/zinc/60/87/99/1052608799.db2.gz ILTJREMLTXVCMZ-KNQAVFIVSA-N 1 0 391.515 3.551 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001312250319 1052660724 /nfs/dbraw/zinc/66/07/24/1052660724.db2.gz CHBZAUBJGMUMMK-DYESRHJHSA-N 1 0 376.504 3.756 20 30 GHEDRO C=CCC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001312333853 1052700870 /nfs/dbraw/zinc/70/08/70/1052700870.db2.gz DTBPKCLIRUMFGW-HSZRJFAPSA-N 1 0 392.547 3.945 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[C@@H]3C3CC3)CC2)cc1 ZINC001312856148 1052894303 /nfs/dbraw/zinc/89/43/03/1052894303.db2.gz HQMUVXLIVVGTKE-FGZHOGPDSA-N 1 0 380.536 3.602 20 30 GHEDRO N#Cc1ccc(CNC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001312893225 1052904548 /nfs/dbraw/zinc/90/45/48/1052904548.db2.gz AZXAETYNMVBMTF-QYZOEREBSA-N 1 0 394.544 3.720 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001342336223 1053113989 /nfs/dbraw/zinc/11/39/89/1053113989.db2.gz YVYSGHTVXKSPRK-VQTJNVASSA-N 1 0 384.572 3.791 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C)C1 ZINC001313722427 1053190722 /nfs/dbraw/zinc/19/07/22/1053190722.db2.gz ZMDBDIBPQVZYKA-QZTJIDSGSA-N 1 0 380.540 3.783 20 30 GHEDRO CC(C)(C#N)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCc1ccccc1 ZINC001342475541 1053191325 /nfs/dbraw/zinc/19/13/25/1053191325.db2.gz PVKILSODJPVTBX-UHFFFAOYSA-N 1 0 394.567 3.534 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(CC#N)CC1 ZINC001313908951 1053285032 /nfs/dbraw/zinc/28/50/32/1053285032.db2.gz DPKMPMWLBNSANY-FQEVSTJZSA-N 1 0 384.572 3.940 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001313908868 1053285495 /nfs/dbraw/zinc/28/54/95/1053285495.db2.gz POGYIHKQRLYVQV-XMSQKQJNSA-N 1 0 396.514 3.570 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C1(OCC)CCC1 ZINC001342721268 1053319091 /nfs/dbraw/zinc/31/90/91/1053319091.db2.gz CLEJJLSFJDKCHL-LJQANCHMSA-N 1 0 387.572 3.582 20 30 GHEDRO CCC1([NH+](C)C)CCN(c2nnc(Cc3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC001342838549 1053384271 /nfs/dbraw/zinc/38/42/71/1053384271.db2.gz HCZWLEBFVRNPBE-UHFFFAOYSA-N 1 0 394.567 3.707 20 30 GHEDRO Cn1c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001342990064 1053482299 /nfs/dbraw/zinc/48/22/99/1053482299.db2.gz PILDTKKFXCDQJJ-FQEVSTJZSA-N 1 0 376.504 3.731 20 30 GHEDRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc(Cl)n1 ZINC001342990608 1053482407 /nfs/dbraw/zinc/48/24/07/1053482407.db2.gz WGAXMZFUSMERGJ-IBGZPJMESA-N 1 0 382.895 3.711 20 30 GHEDRO C[NH+](C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)c1ccccc1 ZINC001314647594 1053548874 /nfs/dbraw/zinc/54/88/74/1053548874.db2.gz AOKUUQITLQMQGT-NRFANRHFSA-N 1 0 392.551 3.979 20 30 GHEDRO CN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001314787052 1053611486 /nfs/dbraw/zinc/61/14/86/1053611486.db2.gz AJSJJSFFSMHFSU-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nnc1C(C)(C)C#N ZINC001343314354 1053697853 /nfs/dbraw/zinc/69/78/53/1053697853.db2.gz CCUGWJVRSCAIRZ-RTBURBONSA-N 1 0 384.572 3.746 20 30 GHEDRO N#CC(=C([O-])c1ccn(-c2cc[nH+]cc2)n1)c1nc2ccccc2n1C(F)F ZINC001343377790 1053736511 /nfs/dbraw/zinc/73/65/11/1053736511.db2.gz MEIHAAJUYFAVTA-ZDUSSCGKSA-N 1 0 378.342 3.502 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H]1c1ccc(F)cc1 ZINC001343483354 1053800671 /nfs/dbraw/zinc/80/06/71/1053800671.db2.gz DZKVRZKNSMWJOI-RTBURBONSA-N 1 0 388.284 3.995 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2nnc(-c3coc(C#N)c3)n2CC(C)C)CC1 ZINC001343525986 1053841403 /nfs/dbraw/zinc/84/14/03/1053841403.db2.gz AATKPMDBIZZVNK-UHFFFAOYSA-N 1 0 382.512 3.520 20 30 GHEDRO COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2([NH+](C)C)CCCC2)c1 ZINC001315551422 1053850038 /nfs/dbraw/zinc/85/00/38/1053850038.db2.gz KAPAPLDEUAMZEO-QGZVFWFLSA-N 1 0 396.539 3.566 20 30 GHEDRO N#C[C@@]1(F)CCN(c2nnc(C3CC3)n2CCCCCCC[NH+]2CCCC2)C1 ZINC001316527780 1054216527 /nfs/dbraw/zinc/21/65/27/1054216527.db2.gz QBEVQBANIMDPED-NRFANRHFSA-N 1 0 388.535 3.644 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001317882356 1054289262 /nfs/dbraw/zinc/28/92/62/1054289262.db2.gz DWMFEOREWZQFGC-UHFFFAOYSA-N 1 0 378.520 3.967 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(F)cc1OC(F)F ZINC001345030408 1054863300 /nfs/dbraw/zinc/86/33/00/1054863300.db2.gz RIEOYDZKAPYGED-LBPRGKRZSA-N 1 0 377.366 3.978 20 30 GHEDRO C=CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C3CCOCC3)n2CC2CC2)C1 ZINC001345345222 1054997516 /nfs/dbraw/zinc/99/75/16/1054997516.db2.gz IHKIKDDQJDTZSB-GHTZIAJQSA-N 1 0 399.583 3.797 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001320319585 1055752416 /nfs/dbraw/zinc/75/24/16/1055752416.db2.gz HQRRHTOAQKQSMH-JQVVWYNYSA-N 1 0 385.552 3.651 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC001320688493 1055929164 /nfs/dbraw/zinc/92/91/64/1055929164.db2.gz IXXPQQSUBOPZPL-FDYSRKEFSA-N 1 0 390.405 3.659 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)C1 ZINC001354158639 1056381050 /nfs/dbraw/zinc/38/10/50/1056381050.db2.gz QSBCQLFLUDEHTO-HXUWFJFHSA-N 1 0 394.567 3.686 20 30 GHEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN(C)C(=O)OC(C)(C)C ZINC001322072989 1056504875 /nfs/dbraw/zinc/50/48/75/1056504875.db2.gz IIAKUBPNGUAUMJ-QGZVFWFLSA-N 1 0 386.540 3.620 20 30 GHEDRO C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001300580567 1056535775 /nfs/dbraw/zinc/53/57/75/1056535775.db2.gz DVKHLBYOPOBRSU-JOCHJYFZSA-N 1 0 389.547 3.702 20 30 GHEDRO N#Cc1cc(F)c(NC2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC001472901427 1056994316 /nfs/dbraw/zinc/99/43/16/1056994316.db2.gz LJAMMAWBGVSQET-UHFFFAOYSA-N 1 0 375.245 3.936 20 30 GHEDRO COc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)sc2c1 ZINC001355284174 1057106187 /nfs/dbraw/zinc/10/61/87/1057106187.db2.gz WWWGYUOIAHVUIF-UHFFFAOYSA-N 1 0 393.512 3.986 20 30 GHEDRO CC[C@@H](Oc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001355284649 1057106315 /nfs/dbraw/zinc/10/63/15/1057106315.db2.gz XXJFMFMCHGKXFC-HXUWFJFHSA-N 1 0 399.922 3.959 20 30 GHEDRO C=CCn1c(-c2ncoc2C)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001355838280 1057289468 /nfs/dbraw/zinc/28/94/68/1057289468.db2.gz RVKHZPBGTQMTAF-UHFFFAOYSA-N 1 0 384.528 3.520 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1cc(C)oc1C ZINC001325316695 1057311979 /nfs/dbraw/zinc/31/19/79/1057311979.db2.gz MGMCNGSSBSZLDG-OAHLLOKOSA-N 1 0 386.496 3.512 20 30 GHEDRO C=CCn1c(-c2oc(C)nc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001355996674 1057349721 /nfs/dbraw/zinc/34/97/21/1057349721.db2.gz MXDJVDNOLAOPFW-UHFFFAOYSA-N 1 0 398.555 3.828 20 30 GHEDRO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nnc1N1CCC(C)(F)CC1 ZINC001356099020 1057388655 /nfs/dbraw/zinc/38/86/55/1057388655.db2.gz AVYLMPTWOMLTGC-MOPGFXCFSA-N 1 0 383.515 3.605 20 30 GHEDRO c1ccc(NC(=[NH+]Cc2ccc(CN3CCOCC3)cc2)N2CCCCC2)cc1 ZINC000849056261 1057567567 /nfs/dbraw/zinc/56/75/67/1057567567.db2.gz GRBFJBQINMXTMD-UHFFFAOYSA-N 1 0 392.547 3.973 20 30 GHEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC001338111224 1058410440 /nfs/dbraw/zinc/41/04/40/1058410440.db2.gz BDRLXLXJTQUFKP-FUHWJXTLSA-N 1 0 380.554 3.539 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C(F)(F)F)nc2ccccn21)C(C)C ZINC001443423296 1059126876 /nfs/dbraw/zinc/12/68/76/1059126876.db2.gz GMEJMGOYTCDPJP-HNNXBMFYSA-N 1 0 394.441 3.782 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC001444068474 1059259129 /nfs/dbraw/zinc/25/91/29/1059259129.db2.gz VXWABYYIHXIZRF-UHFFFAOYSA-N 1 0 396.466 3.867 20 30 GHEDRO C=CCn1c(-c2scnc2CC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001339919248 1059558539 /nfs/dbraw/zinc/55/85/39/1059558539.db2.gz XSUDMTWJNPWZPS-QAPCUYQASA-N 1 0 398.580 3.603 20 30 GHEDRO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001340500072 1059953666 /nfs/dbraw/zinc/95/36/66/1059953666.db2.gz CPTBFKAMLPJCIP-SFHVURJKSA-N 1 0 384.528 3.520 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC001447423411 1059962740 /nfs/dbraw/zinc/96/27/40/1059962740.db2.gz BJUSGAZELKPPMH-NRFANRHFSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001450060381 1060515730 /nfs/dbraw/zinc/51/57/30/1060515730.db2.gz FKHKMMQEVYWEHL-HKUYNNGSSA-N 1 0 393.572 3.569 20 30 GHEDRO C=CCc1cc(C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)cc(OC)c1OC ZINC001342089785 1061051289 /nfs/dbraw/zinc/05/12/89/1061051289.db2.gz RNXCXWDYZHTJAA-UHFFFAOYSA-N 1 0 394.515 3.565 20 30 GHEDRO C=C(C)Cn1c(Cc2cccc(O)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001342135290 1061078826 /nfs/dbraw/zinc/07/88/26/1061078826.db2.gz VVRALAGVKWEOBM-UHFFFAOYSA-N 1 0 395.551 3.605 20 30 GHEDRO C=CCO[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC001342210930 1061139161 /nfs/dbraw/zinc/13/91/61/1061139161.db2.gz AWCPDMJXWZEPBH-IBGZPJMESA-N 1 0 391.943 3.539 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ncccc23)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001346315601 1061512114 /nfs/dbraw/zinc/51/21/14/1061512114.db2.gz MVTMKFKWHHFPOO-UHFFFAOYSA-N 1 0 393.539 3.708 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+]2CCC[C@H](C)C2)o1 ZINC001361202319 1061719623 /nfs/dbraw/zinc/71/96/23/1061719623.db2.gz NVCZSNNJTMGOIP-KRWDZBQOSA-N 1 0 396.539 3.709 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1C(C)(C)COC(C)(C)C ZINC001346670604 1061782209 /nfs/dbraw/zinc/78/22/09/1061782209.db2.gz LJKDMGFLXQHPES-UHFFFAOYSA-N 1 0 391.604 3.914 20 30 GHEDRO N#Cc1ccc(Cn2cc(NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)cn2)cc1 ZINC001455002802 1061972578 /nfs/dbraw/zinc/97/25/78/1061972578.db2.gz OQDNPMQDUPTAPZ-UHFFFAOYSA-N 1 0 384.443 3.660 20 30 GHEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CC#N)[NH+](C)C ZINC001545814586 1062018636 /nfs/dbraw/zinc/01/86/36/1062018636.db2.gz DAMXDIKEXMSRJQ-NEWSRXKRSA-N 1 0 390.576 3.624 20 30 GHEDRO CC[C@H](Oc1cccc(C)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001435081824 1062280940 /nfs/dbraw/zinc/28/09/40/1062280940.db2.gz SXKLZBWDBIGXJZ-QFIPXVFZSA-N 1 0 379.504 3.615 20 30 GHEDRO CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001347379916 1062337148 /nfs/dbraw/zinc/33/71/48/1062337148.db2.gz JEJUCIWZIMYCHR-YUXAGFNASA-N 1 0 384.572 3.654 20 30 GHEDRO C=C1CCC(C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC1 ZINC001435192482 1062373506 /nfs/dbraw/zinc/37/35/06/1062373506.db2.gz RCEKVFQZNLSGRP-UHFFFAOYSA-N 1 0 395.469 3.820 20 30 GHEDRO C=CCOc1cccnc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001348257811 1062968330 /nfs/dbraw/zinc/96/83/30/1062968330.db2.gz JRADOVRORIUUCK-KRWDZBQOSA-N 1 0 385.533 3.911 20 30 GHEDRO CCC1([NH+]2CCC2)CCN(c2nnc(CCCC#N)n2Cc2cccs2)CC1 ZINC001348427586 1063068731 /nfs/dbraw/zinc/06/87/31/1063068731.db2.gz UOQYSHXTVDUQES-UHFFFAOYSA-N 1 0 398.580 3.689 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001435995596 1063073806 /nfs/dbraw/zinc/07/38/06/1063073806.db2.gz JVAZFPJRPDLXGU-HSZRJFAPSA-N 1 0 375.516 3.744 20 30 GHEDRO CC[NH+]1CCN(c2ccc(Nc3cc(C)c([N+](=O)[O-])cc3C#N)cc2F)CC1 ZINC001458546779 1063882733 /nfs/dbraw/zinc/88/27/33/1063882733.db2.gz LJVGZCNDCIAGBY-UHFFFAOYSA-N 1 0 383.427 3.800 20 30 GHEDRO C=CCn1c(SCCC[NH+](CC)CC)nc2sc3c(c2c1=O)CCC3 ZINC001458825984 1063943032 /nfs/dbraw/zinc/94/30/32/1063943032.db2.gz RJGAROANMUGXRW-UHFFFAOYSA-N 1 0 377.579 3.957 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)n(Cc2ccc(C[NH+]3CCCCC3)cc2)c1=O ZINC001459246656 1064035490 /nfs/dbraw/zinc/03/54/90/1064035490.db2.gz YGMJPYCNDFMCGS-UHFFFAOYSA-N 1 0 375.394 3.773 20 30 GHEDRO CC(C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)[NH+]1CCC(C)CC1 ZINC001350327343 1064056949 /nfs/dbraw/zinc/05/69/49/1064056949.db2.gz MKDTZIYDJATSLE-QGZVFWFLSA-N 1 0 392.341 3.807 20 30 GHEDRO C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001459477769 1064108898 /nfs/dbraw/zinc/10/88/98/1064108898.db2.gz DVEIXEVZNIEPQC-OAHLLOKOSA-N 1 0 375.469 3.999 20 30 GHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC001459549807 1064125160 /nfs/dbraw/zinc/12/51/60/1064125160.db2.gz KWVTXCPSCUWERY-OAQYLSRUSA-N 1 0 384.545 3.984 20 30 GHEDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001459696863 1064174722 /nfs/dbraw/zinc/17/47/22/1064174722.db2.gz VWGACLFVNCCBDQ-ROUUACIJSA-N 1 0 389.565 3.963 20 30 GHEDRO Cc1cc(Br)cc2cc([C@@H](C(C)C)[N@H+](C)CC(=O)NCC#N)oc21 ZINC001459839691 1064238601 /nfs/dbraw/zinc/23/86/01/1064238601.db2.gz WNVSZDQPELGAHI-QGZVFWFLSA-N 1 0 392.297 3.772 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CC1 ZINC001351379428 1064418950 /nfs/dbraw/zinc/41/89/50/1064418950.db2.gz XVBZQNIOVXNTGZ-UHFFFAOYSA-N 1 0 384.867 3.746 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001351860410 1064646338 /nfs/dbraw/zinc/64/63/38/1064646338.db2.gz HEPMUUXFJVDNIY-GOSISDBHSA-N 1 0 387.572 3.591 20 30 GHEDRO CCCCCCCCCCNC(=S)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001200211957 1065596914 /nfs/dbraw/zinc/59/69/14/1065596914.db2.gz ZVCMGZKSBZGNKE-BGYRXZFFSA-N 1 0 381.630 3.797 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001465779674 1065849973 /nfs/dbraw/zinc/84/99/73/1065849973.db2.gz PUTXIKPOIZIJBO-HXUWFJFHSA-N 1 0 395.478 3.966 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001300272207 1065901171 /nfs/dbraw/zinc/90/11/71/1065901171.db2.gz LTQFJGJEVNMFHS-GOSISDBHSA-N 1 0 381.568 3.924 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300294180 1065944052 /nfs/dbraw/zinc/94/40/52/1065944052.db2.gz XSCHCOKVOAPFHO-QUCCMNQESA-N 1 0 379.552 3.833 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300313727 1065973270 /nfs/dbraw/zinc/97/32/70/1065973270.db2.gz ODWUNFBRYYBXHY-FQEVSTJZSA-N 1 0 393.579 3.900 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300314775 1065975985 /nfs/dbraw/zinc/97/59/85/1065975985.db2.gz JIRMCWZVBLOTRF-KRWDZBQOSA-N 1 0 385.581 3.653 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300318338 1065981426 /nfs/dbraw/zinc/98/14/26/1065981426.db2.gz ZVYKWLXGSJMNCL-ACRUOGEOSA-N 1 0 393.579 3.642 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300318339 1065981647 /nfs/dbraw/zinc/98/16/47/1065981647.db2.gz ZVYKWLXGSJMNCL-HKBOAZHASA-N 1 0 393.579 3.642 20 30 GHEDRO C[C@H]1C(=O)CC[C@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000847747956 1066031670 /nfs/dbraw/zinc/03/16/70/1066031670.db2.gz URCMMNLXFJYAJC-AZUAARDMSA-N 1 0 396.531 3.977 20 30 GHEDRO N#CC1(COC(=O)c2csc(C3CC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000847749588 1066034892 /nfs/dbraw/zinc/03/48/92/1066034892.db2.gz VVZUOMGRPXNSID-UHFFFAOYSA-N 1 0 381.501 3.983 20 30 GHEDRO Cc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000847748733 1066038319 /nfs/dbraw/zinc/03/83/19/1066038319.db2.gz HIVBJBJBAVPPJL-UHFFFAOYSA-N 1 0 393.443 3.866 20 30 GHEDRO CCOCCC1(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000847748810 1066039559 /nfs/dbraw/zinc/03/95/59/1066039559.db2.gz JAGBQKOGKHPHNG-UHFFFAOYSA-N 1 0 384.520 3.932 20 30 GHEDRO N#Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)(F)F ZINC001466342880 1066102023 /nfs/dbraw/zinc/10/20/23/1066102023.db2.gz FTDOCAXJZVFEFL-CABCVRRESA-N 1 0 382.386 3.595 20 30 GHEDRO C#CCOc1ccc(NC(=O)NCc2c(Cl)cccc2-n2ccnc2)cc1 ZINC001200402461 1066109442 /nfs/dbraw/zinc/10/94/42/1066109442.db2.gz HOUJMELMYDKTNT-UHFFFAOYSA-N 1 0 380.835 3.859 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001353699759 1066150631 /nfs/dbraw/zinc/15/06/31/1066150631.db2.gz MFRPVNBXEVFHTR-AZUAARDMSA-N 1 0 393.539 3.514 20 30 GHEDRO C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001300386518 1066154369 /nfs/dbraw/zinc/15/43/69/1066154369.db2.gz QFTTXMNDOSKIEO-LPHOPBHVSA-N 1 0 383.927 3.685 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1cc(C#N)ccc1F ZINC001466788420 1066315600 /nfs/dbraw/zinc/31/56/00/1066315600.db2.gz HURNSVGBRIRBST-HZPDHXFCSA-N 1 0 380.467 3.975 20 30 GHEDRO COCC[NH+]1CCC(OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000847883973 1066333190 /nfs/dbraw/zinc/33/31/90/1066333190.db2.gz PWFIQDNRXCRLDF-UHFFFAOYSA-N 1 0 394.471 3.813 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300440315 1066337849 /nfs/dbraw/zinc/33/78/49/1066337849.db2.gz TZTGYSUSPWKNDF-QGZVFWFLSA-N 1 0 385.943 3.790 20 30 GHEDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC001467167925 1067115000 /nfs/dbraw/zinc/11/50/00/1067115000.db2.gz NHCZFOUALVFYTJ-UZLBHIALSA-N 1 0 378.476 3.741 20 30 GHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467196124 1067142303 /nfs/dbraw/zinc/14/23/03/1067142303.db2.gz WRRRKVIXKAGRIP-IAGOWNOFSA-N 1 0 382.430 3.725 20 30 GHEDRO CN1CCC[C@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1CCc1ccccc1 ZINC001357980786 1067354452 /nfs/dbraw/zinc/35/44/52/1067354452.db2.gz KKYIAAYKRCNNPP-QFIPXVFZSA-N 1 0 398.514 3.679 20 30 GHEDRO CC(C)Cn1c(C2CCN(CCC#N)CC2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001358096153 1067396774 /nfs/dbraw/zinc/39/67/74/1067396774.db2.gz CAJARNDEIPIKHY-FQEVSTJZSA-N 1 0 384.572 3.654 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nc2c(s1)CCCC2)C(C)C ZINC001467660116 1067404226 /nfs/dbraw/zinc/40/42/26/1067404226.db2.gz HYVUVRIJRWQAAS-KRWDZBQOSA-N 1 0 376.570 3.520 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)[NH+](CC)CC ZINC001358874341 1067590080 /nfs/dbraw/zinc/59/00/80/1067590080.db2.gz WGAYHNAYBFBUGA-WOJBJXKFSA-N 1 0 393.579 3.936 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001358876256 1067590643 /nfs/dbraw/zinc/59/06/43/1067590643.db2.gz GGJWEAXLUIIDMA-MOPGFXCFSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1CCCCC1 ZINC001358882999 1067594921 /nfs/dbraw/zinc/59/49/21/1067594921.db2.gz LQQPTPPJRGXTKM-QGZVFWFLSA-N 1 0 385.943 3.932 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@H+]1CCC ZINC001358886123 1067596466 /nfs/dbraw/zinc/59/64/66/1067596466.db2.gz YAEVGPQBDUYQOX-ROUUACIJSA-N 1 0 390.535 3.759 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001358893957 1067601275 /nfs/dbraw/zinc/60/12/75/1067601275.db2.gz FYLKJBHXXHEYRN-QRVBRYPASA-N 1 0 399.608 3.756 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[N@@H+](CC)CCC ZINC001358894198 1067601386 /nfs/dbraw/zinc/60/13/86/1067601386.db2.gz KCRXSXCSLLEQEM-GOSISDBHSA-N 1 0 392.551 3.540 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001358894685 1067601692 /nfs/dbraw/zinc/60/16/92/1067601692.db2.gz URMCUNRDIUENEJ-SPEDKVCISA-N 1 0 399.608 3.899 20 30 GHEDRO C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001358931782 1067617940 /nfs/dbraw/zinc/61/79/40/1067617940.db2.gz NJFANXZYYIIGBX-UHFFFAOYSA-N 1 0 393.579 3.901 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001358943065 1067623972 /nfs/dbraw/zinc/62/39/72/1067623972.db2.gz UFMWKGSQGFTJRN-GOSISDBHSA-N 1 0 385.943 3.788 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359003911 1067645528 /nfs/dbraw/zinc/64/55/28/1067645528.db2.gz BAVVMQDPJQXSSI-LJQANCHMSA-N 1 0 383.540 3.674 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1Cc1cccc(C[NH+](CC)CC)c1 ZINC001359008739 1067650171 /nfs/dbraw/zinc/65/01/71/1067650171.db2.gz YWZBJISYOPXVQS-UHFFFAOYSA-N 1 0 379.552 3.895 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2F)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359010847 1067651184 /nfs/dbraw/zinc/65/11/84/1067651184.db2.gz BAMQVASHSJSLNB-LJQANCHMSA-N 1 0 397.542 3.732 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001359068204 1067668960 /nfs/dbraw/zinc/66/89/60/1067668960.db2.gz RNHPYXFBPYQMIL-WMZHIEFXSA-N 1 0 377.536 3.669 20 30 GHEDRO C=C(Cl)Cn1c(CC2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001359153313 1067713091 /nfs/dbraw/zinc/71/30/91/1067713091.db2.gz ATXUQHVPFVQUGY-LJQANCHMSA-N 1 0 385.943 3.694 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001359166205 1067720220 /nfs/dbraw/zinc/72/02/20/1067720220.db2.gz JVANWIULKZBZQF-UHFFFAOYSA-N 1 0 379.552 3.818 20 30 GHEDRO C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001359166928 1067720957 /nfs/dbraw/zinc/72/09/57/1067720957.db2.gz MKWSWVGSDOXWEY-INIZCTEOSA-N 1 0 388.585 3.521 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001359175698 1067732636 /nfs/dbraw/zinc/73/26/36/1067732636.db2.gz WQQAFIMWEPVAPA-UHFFFAOYSA-N 1 0 392.551 3.949 20 30 GHEDRO C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001359182551 1067744480 /nfs/dbraw/zinc/74/44/80/1067744480.db2.gz KKISBGFHZWYBTL-OAQYLSRUSA-N 1 0 395.551 3.642 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001359183617 1067746347 /nfs/dbraw/zinc/74/63/47/1067746347.db2.gz PTEUVTZFZWMHBF-GUDVDZBRSA-N 1 0 389.588 3.551 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001468550450 1067767716 /nfs/dbraw/zinc/76/77/16/1067767716.db2.gz YULWWHSYZHFYPV-HXUWFJFHSA-N 1 0 375.944 3.696 20 30 GHEDRO C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001359210922 1067783322 /nfs/dbraw/zinc/78/33/22/1067783322.db2.gz MYSZMGJRLIZRQL-FQEVSTJZSA-N 1 0 392.551 3.951 20 30 GHEDRO C=CCCCn1c(COc2ccccc2CC)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001359220000 1067798172 /nfs/dbraw/zinc/79/81/72/1067798172.db2.gz KXMBKWIDBZIKDX-LJQANCHMSA-N 1 0 397.567 3.916 20 30 GHEDRO C=CCN(C)c1nnc(C(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359231056 1067831718 /nfs/dbraw/zinc/83/17/18/1067831718.db2.gz MQPNHPHRZGZAEN-UHFFFAOYSA-N 1 0 377.602 3.775 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359230761 1067832076 /nfs/dbraw/zinc/83/20/76/1067832076.db2.gz FDQKTBLGKUHQDS-IAGOWNOFSA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)CC)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001359231560 1067832493 /nfs/dbraw/zinc/83/24/93/1067832493.db2.gz ZLHXJEYIMCKHQG-FQEVSTJZSA-N 1 0 396.583 3.626 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359235090 1067839011 /nfs/dbraw/zinc/83/90/11/1067839011.db2.gz NJHRIJZYZAJLDV-INIZCTEOSA-N 1 0 388.947 3.880 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359235748 1067840660 /nfs/dbraw/zinc/84/06/60/1067840660.db2.gz MDAMWISTIWTQQY-QZTJIDSGSA-N 1 0 383.540 3.696 20 30 GHEDRO C=CCN(c1nnc(-c2cccc3cccnc32)n1C[C@H](C)[NH+](C)C)C1CC1 ZINC001359248861 1067893721 /nfs/dbraw/zinc/89/37/21/1067893721.db2.gz FQZBBQDEEXMVRK-INIZCTEOSA-N 1 0 376.508 3.598 20 30 GHEDRO C=CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC001359248867 1067894379 /nfs/dbraw/zinc/89/43/79/1067894379.db2.gz FTKZWKILDAFXEE-ZWKOTPCHSA-N 1 0 380.540 3.615 20 30 GHEDRO C=CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCC[N@H+]1CCC)C1CC1 ZINC001359249619 1067898389 /nfs/dbraw/zinc/89/83/89/1067898389.db2.gz JSJXUSUQHYFBEW-HXUWFJFHSA-N 1 0 380.540 3.759 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359254551 1067909947 /nfs/dbraw/zinc/90/99/47/1067909947.db2.gz VOLWHTSKKSZXHR-UHFFFAOYSA-N 1 0 397.567 3.910 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001359255945 1067914358 /nfs/dbraw/zinc/91/43/58/1067914358.db2.gz PEPQGERVOWUANV-FQEVSTJZSA-N 1 0 390.535 3.562 20 30 GHEDRO C=CCCc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849585531 1067914626 /nfs/dbraw/zinc/91/46/26/1067914626.db2.gz DAWDMVUIQIISIC-NHCUHLMSSA-N 1 0 380.536 3.991 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849603549 1067917650 /nfs/dbraw/zinc/91/76/50/1067917650.db2.gz QXTRPFGXKUGIIC-DNVJHFABSA-N 1 0 394.563 3.538 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@H+]1CC ZINC001359259016 1067921218 /nfs/dbraw/zinc/92/12/18/1067921218.db2.gz JPUHDKSMVXRJJK-NHCUHLMSSA-N 1 0 395.551 3.807 20 30 GHEDRO C=CCN(CCOC)c1nnc(-c2ccccc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359279378 1067950801 /nfs/dbraw/zinc/95/08/01/1067950801.db2.gz DFKRCFANNICODS-UHFFFAOYSA-N 1 0 397.567 3.848 20 30 GHEDRO C=CCN(CCOC)c1nnc(C2CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359281131 1067952978 /nfs/dbraw/zinc/95/29/78/1067952978.db2.gz PGAHEZFACUYEGV-QZTJIDSGSA-N 1 0 389.588 3.551 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21)[NH+](C)C ZINC001359766102 1068176468 /nfs/dbraw/zinc/17/64/68/1068176468.db2.gz IBUCPNPOQINXTK-PWRODBHTSA-N 1 0 392.551 3.782 20 30 GHEDRO CC(C)C[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001359770024 1068176990 /nfs/dbraw/zinc/17/69/90/1068176990.db2.gz YDNPTNUYZZSWKN-HXUWFJFHSA-N 1 0 380.540 3.640 20 30 GHEDRO CC(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359787271 1068188988 /nfs/dbraw/zinc/18/89/88/1068188988.db2.gz XXFLWJGUXNJJQA-RBUKOAKNSA-N 1 0 386.588 3.727 20 30 GHEDRO CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359827325 1068209701 /nfs/dbraw/zinc/20/97/01/1068209701.db2.gz XPNKIGFAGXYPJB-DENIHFKCSA-N 1 0 386.588 3.727 20 30 GHEDRO C#CCCOc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC001360147989 1068387294 /nfs/dbraw/zinc/38/72/94/1068387294.db2.gz OHFLQNORADQJOL-UHFFFAOYSA-N 1 0 386.561 3.570 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CC[N@H+](C)C1CCCCC1 ZINC001360471088 1068519433 /nfs/dbraw/zinc/51/94/33/1068519433.db2.gz ALWPFYLOEQOGDQ-SFHVURJKSA-N 1 0 380.540 3.948 20 30 GHEDRO CC1CCC([NH+]2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)CC1 ZINC001360532455 1068547745 /nfs/dbraw/zinc/54/77/45/1068547745.db2.gz XDTLUXXVNJGVNQ-UHFFFAOYSA-N 1 0 390.325 3.657 20 30 GHEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001360541772 1068550662 /nfs/dbraw/zinc/55/06/62/1068550662.db2.gz NXRCBMUPSAQEDT-APWZRJJASA-N 1 0 380.540 3.639 20 30 GHEDRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCC1 ZINC001360593624 1068575693 /nfs/dbraw/zinc/57/56/93/1068575693.db2.gz IOKPEVSYKRTZSZ-GOSISDBHSA-N 1 0 386.588 3.729 20 30 GHEDRO C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccccc2C#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460270855 1068899678 /nfs/dbraw/zinc/89/96/78/1068899678.db2.gz KTAUBOCDDKDRKM-LMMKCTJWSA-N 1 0 387.524 3.808 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460280299 1068904596 /nfs/dbraw/zinc/90/45/96/1068904596.db2.gz TWNJNQIZWJKACD-HCLVMJGWSA-N 1 0 399.535 3.967 20 30 GHEDRO C[C@H]1CCC[N@H+](CCOc2ccccc2C#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460335165 1068930190 /nfs/dbraw/zinc/93/01/90/1068930190.db2.gz HCKXZTSJCFVJDW-HKUYNNGSSA-N 1 0 387.524 3.952 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCOc2ccccc2C#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460335168 1068930277 /nfs/dbraw/zinc/93/02/77/1068930277.db2.gz HCKXZTSJCFVJDW-IEBWSBKVSA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC001460912160 1069268251 /nfs/dbraw/zinc/26/82/51/1069268251.db2.gz YVYZEZNGZHQCOF-XMSQKQJNSA-N 1 0 385.508 3.706 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 ZINC001460942875 1069287853 /nfs/dbraw/zinc/28/78/53/1069287853.db2.gz BGLWTWZMRFSLCU-QNOZYLDQSA-N 1 0 387.524 3.674 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](c2ccccc2)CC1 ZINC001460952021 1069293354 /nfs/dbraw/zinc/29/33/54/1069293354.db2.gz SLNWBPGPBARKII-BEFAXECRSA-N 1 0 395.528 3.899 20 30 GHEDRO C=CCCSCCNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001478487505 1078888801 /nfs/dbraw/zinc/88/88/01/1078888801.db2.gz MKMRWDYGQLUPNQ-MRXNPFEDSA-N 1 0 389.487 3.917 20 30 GHEDRO C[C@@]12CN(C(=O)/C=C/c3ccccc3C#N)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001470775010 1072731535 /nfs/dbraw/zinc/73/15/35/1072731535.db2.gz CXYOYFCCNKRQOI-UZMIIQGXSA-N 1 0 385.511 3.942 20 30 GHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1SCC#N ZINC001470780735 1072736284 /nfs/dbraw/zinc/73/62/84/1072736284.db2.gz NGLAXNIGQSLWCO-YLJYHZDGSA-N 1 0 379.529 3.943 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCCc1ccc(C#N)cc1 ZINC001470790258 1072742108 /nfs/dbraw/zinc/74/21/08/1072742108.db2.gz HILMCZAOUSBRCK-QHCPKHFHSA-N 1 0 390.531 3.797 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC001470854803 1072773559 /nfs/dbraw/zinc/77/35/59/1072773559.db2.gz MSJKMXNAZUMZTM-OAQYLSRUSA-N 1 0 379.504 3.667 20 30 GHEDRO C#CC[C@@H](CCOC)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001470959143 1072847073 /nfs/dbraw/zinc/84/70/73/1072847073.db2.gz IGWFYENIQFQKLC-NRFANRHFSA-N 1 0 385.552 3.549 20 30 GHEDRO Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)NCC#CC[NH+](C)C ZINC001471036407 1072896422 /nfs/dbraw/zinc/89/64/22/1072896422.db2.gz NXXZZSQYUXHOSD-UHFFFAOYSA-N 1 0 382.316 3.720 20 30 GHEDRO Cc1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001471298510 1073003925 /nfs/dbraw/zinc/00/39/25/1073003925.db2.gz MLXYGODPZHMIHI-RTBURBONSA-N 1 0 376.504 3.671 20 30 GHEDRO C=CCCSCCNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001478935802 1079031485 /nfs/dbraw/zinc/03/14/85/1079031485.db2.gz BMFDRJCRMLZZDU-FQEVSTJZSA-N 1 0 375.582 3.992 20 30 GHEDRO C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001479094759 1079100506 /nfs/dbraw/zinc/10/05/06/1079100506.db2.gz ZSOUODRRPYKXMU-SFTDATJTSA-N 1 0 392.632 3.957 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCNc2cc(Br)ccc2C#N)cc1 ZINC001472689295 1073620138 /nfs/dbraw/zinc/62/01/38/1073620138.db2.gz HKNGKCFIXXKODX-UHFFFAOYSA-N 1 0 388.309 3.916 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNc3cc(F)c(C#N)cc3[N+](=O)[O-])cc2)CC1 ZINC001472778437 1073661585 /nfs/dbraw/zinc/66/15/85/1073661585.db2.gz HMYNMYBLGDOJEI-UHFFFAOYSA-N 1 0 384.411 3.691 20 30 GHEDRO C[N@@H+]1C[C@@H](CNc2nccc(Oc3cccc(C#N)c3)n2)[C@H](c2ccccc2)C1 ZINC001472814854 1073678091 /nfs/dbraw/zinc/67/80/91/1073678091.db2.gz VRUGYCYAHCGWSY-CTNGQTDRSA-N 1 0 385.471 3.898 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001473147837 1073808539 /nfs/dbraw/zinc/80/85/39/1073808539.db2.gz USOBMLFLEFNZNO-UHFFFAOYSA-N 1 0 385.414 3.635 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+](CCC#N)CC2CC2)cc1 ZINC001473204695 1073857870 /nfs/dbraw/zinc/85/78/70/1073857870.db2.gz XWEIIZYPXFBHKU-IBGZPJMESA-N 1 0 387.524 3.929 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC001473672349 1074078075 /nfs/dbraw/zinc/07/80/75/1074078075.db2.gz KDQCCNPNNUPZCG-UHFFFAOYSA-N 1 0 384.524 3.780 20 30 GHEDRO CCC(CC)CCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC001473680475 1074082293 /nfs/dbraw/zinc/08/22/93/1074082293.db2.gz VUABAUOHARTJGP-LJQANCHMSA-N 1 0 390.597 3.605 20 30 GHEDRO CCC(CC)CCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC001473680474 1074082787 /nfs/dbraw/zinc/08/27/87/1074082787.db2.gz VUABAUOHARTJGP-IBGZPJMESA-N 1 0 390.597 3.605 20 30 GHEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CCCOC1 ZINC001473747623 1074121325 /nfs/dbraw/zinc/12/13/25/1074121325.db2.gz RWFVVMYJVOMQCW-MPGHIAIKSA-N 1 0 389.565 3.868 20 30 GHEDRO C#CCOCC[N@H+]1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001473779722 1074138301 /nfs/dbraw/zinc/13/83/01/1074138301.db2.gz QRXRKVZNSTYDNK-QUCCMNQESA-N 1 0 378.557 3.822 20 30 GHEDRO C#CC[N@@H+](CCc1ccc(F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473798086 1074146912 /nfs/dbraw/zinc/14/69/12/1074146912.db2.gz UUSYRELIYADOCR-UHFFFAOYSA-N 1 0 378.463 3.842 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)cc1 ZINC001473805379 1074152114 /nfs/dbraw/zinc/15/21/14/1074152114.db2.gz FJYACOXBLGVVNC-INIZCTEOSA-N 1 0 380.517 3.712 20 30 GHEDRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](C[C@H](O)CC4(C#N)CCC4)CC3)c2c1 ZINC001473815375 1074157546 /nfs/dbraw/zinc/15/75/46/1074157546.db2.gz XROJXGZPINEZBN-GOSISDBHSA-N 1 0 395.503 3.579 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]3COc3ccc(F)cc3)C2=O)cc1 ZINC001473834183 1074165292 /nfs/dbraw/zinc/16/52/92/1074165292.db2.gz MYTRYXDBJYDHTL-UNMCSNQZSA-N 1 0 393.462 3.736 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(c3cccc(OC)c3)CC2)cc(OC)c1O ZINC001473968745 1074221240 /nfs/dbraw/zinc/22/12/40/1074221240.db2.gz DDJOPFJWKUFKOS-UHFFFAOYSA-N 1 0 382.504 3.897 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1OC ZINC001474234513 1074303452 /nfs/dbraw/zinc/30/34/52/1074303452.db2.gz CFTFRBPOTUZXAV-IZOOLLGQSA-N 1 0 394.309 3.536 20 30 GHEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC001474460561 1074416112 /nfs/dbraw/zinc/41/61/12/1074416112.db2.gz ZXIDQCZWFFCVEN-XFBWCDHKSA-N 1 0 388.817 3.846 20 30 GHEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N(C)OC1CCCC1 ZINC001493844054 1079302617 /nfs/dbraw/zinc/30/26/17/1079302617.db2.gz FPLCFUXTESCHFZ-KRWDZBQOSA-N 1 0 394.523 3.611 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001495091232 1079382811 /nfs/dbraw/zinc/38/28/11/1079382811.db2.gz ZOSIKTNGYHMYQQ-GBESFXJTSA-N 1 0 394.567 3.834 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N(CC)CC1CC1 ZINC001496135336 1079457213 /nfs/dbraw/zinc/45/72/13/1079457213.db2.gz XIHOJOIFBVGKRU-KRWDZBQOSA-N 1 0 380.540 3.783 20 30 GHEDRO CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001497778563 1079511332 /nfs/dbraw/zinc/51/13/32/1079511332.db2.gz UEHUXOFIDLRVQJ-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001654634227 1126254262 /nfs/dbraw/zinc/25/42/62/1126254262.db2.gz ULMNOHQHTDEPMZ-LJQANCHMSA-N 1 0 378.394 3.669 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)cc1Cl ZINC001658375632 1126262108 /nfs/dbraw/zinc/26/21/08/1126262108.db2.gz CGQGISNBVNOOGP-OAQYLSRUSA-N 1 0 375.896 3.997 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C1 ZINC000736791809 600593107 /nfs/dbraw/zinc/59/31/07/600593107.db2.gz DRAKVXPJZZBWIX-VGOFRKELSA-N 1 0 377.488 3.706 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C1 ZINC000736791806 600593139 /nfs/dbraw/zinc/59/31/39/600593139.db2.gz DRAKVXPJZZBWIX-JTSKRJEESA-N 1 0 377.488 3.706 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C1 ZINC000828161820 601300268 /nfs/dbraw/zinc/30/02/68/601300268.db2.gz PLRGSAKHUUQSSK-IEGUWTFLSA-N 1 0 391.515 3.952 20 30 GHEDRO N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000833073540 601323801 /nfs/dbraw/zinc/32/38/01/601323801.db2.gz DNNBCFPFIUTDNR-LADGPHEKSA-N 1 0 389.499 3.672 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@@H]43)cc2c1Cl ZINC001164410448 718878034 /nfs/dbraw/zinc/87/80/34/718878034.db2.gz BNEDTRKAXHBWCQ-KBPBESRZSA-N 1 0 383.229 3.899 20 30 GHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413793 718879764 /nfs/dbraw/zinc/87/97/64/718879764.db2.gz NGOLCMUNXOFHJX-LBPRGKRZSA-N 1 0 394.775 3.805 20 30 GHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(Cl)cc1C#N)[C@@H]2C ZINC001164860467 720962196 /nfs/dbraw/zinc/96/21/96/720962196.db2.gz PZIKRQGRHRTFSJ-GFCCVEGCSA-N 1 0 393.322 3.878 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955019 722013389 /nfs/dbraw/zinc/01/33/89/722013389.db2.gz RILXBQVIQXIFKZ-UHFFFAOYSA-N 1 0 375.520 3.964 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1CC[NH2+]CC1 ZINC000564303815 837409370 /nfs/dbraw/zinc/40/93/70/837409370.db2.gz QGHYMEXKJUYJNV-UHFFFAOYSA-N 1 0 378.476 3.567 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)s2)cn1 ZINC000549008141 837446191 /nfs/dbraw/zinc/44/61/91/837446191.db2.gz HYCKYYBBKKERHF-QGZVFWFLSA-N 1 0 395.507 3.918 20 30 GHEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)ccc1C#N ZINC000581004590 837450337 /nfs/dbraw/zinc/45/03/37/837450337.db2.gz OANKIMHOUZUKSR-INIZCTEOSA-N 1 0 376.460 3.730 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3c2cccc3C#N)C1 ZINC000581005402 837451617 /nfs/dbraw/zinc/45/16/17/837451617.db2.gz YGDPXGKHUSZKSD-UHFFFAOYSA-N 1 0 398.510 3.869 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000610276350 837491194 /nfs/dbraw/zinc/49/11/94/837491194.db2.gz OVKVRTCHIPYMRN-KRWDZBQOSA-N 1 0 392.453 3.783 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OCC ZINC000176708644 837507291 /nfs/dbraw/zinc/50/72/91/837507291.db2.gz OYNOEZYFAHOODR-PBHICJAKSA-N 1 0 399.516 3.873 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(Cn4ccnn4)CC3)c2)c1 ZINC000180820936 837574081 /nfs/dbraw/zinc/57/40/81/837574081.db2.gz BSIROGYBVRAPPB-UHFFFAOYSA-N 1 0 387.487 3.641 20 30 GHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000176882655 837587244 /nfs/dbraw/zinc/58/72/44/837587244.db2.gz YUPQQSBFHDUXKS-GOSISDBHSA-N 1 0 397.544 3.796 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549089776 837781088 /nfs/dbraw/zinc/78/10/88/837781088.db2.gz HBNWLUIMHCFMDJ-HXUWFJFHSA-N 1 0 392.551 3.929 20 30 GHEDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000577575990 834543016 /nfs/dbraw/zinc/54/30/16/834543016.db2.gz AMQMDTPMDGEUMV-GUDVDZBRSA-N 1 0 381.499 3.716 20 30 GHEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000329230041 834592050 /nfs/dbraw/zinc/59/20/50/834592050.db2.gz DECSLHRDEQZDGV-QFIPXVFZSA-N 1 0 395.551 3.773 20 30 GHEDRO COc1ccc(C(C)(C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278774340 834758500 /nfs/dbraw/zinc/75/85/00/834758500.db2.gz YPDYRIUDNCGYJO-UHFFFAOYSA-N 1 0 389.503 3.935 20 30 GHEDRO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nnc1[C@H]1COc2ccccc2O1 ZINC000536090461 834786602 /nfs/dbraw/zinc/78/66/02/834786602.db2.gz IKVOFYLIZBPNPO-MAUKXSAKSA-N 1 0 386.521 3.553 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000471123887 834811608 /nfs/dbraw/zinc/81/16/08/834811608.db2.gz IKQDBPHOJXKWAO-DHIUTWEWSA-N 1 0 388.515 3.513 20 30 GHEDRO N#C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC12CCCC2 ZINC000583733613 834958208 /nfs/dbraw/zinc/95/82/08/834958208.db2.gz LMCKHZKUFVSOFJ-PXNSSMCTSA-N 1 0 391.437 3.870 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246981586 835076481 /nfs/dbraw/zinc/07/64/81/835076481.db2.gz HHJQVZJBJZBBJV-RTBURBONSA-N 1 0 375.582 3.602 20 30 GHEDRO N#Cc1cc(Cl)ccc1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413573311 835135670 /nfs/dbraw/zinc/13/56/70/835135670.db2.gz CJMQKXWZCVAYBO-UHFFFAOYSA-N 1 0 382.895 3.521 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)CC1 ZINC000329517347 835171416 /nfs/dbraw/zinc/17/14/16/835171416.db2.gz DSWCNXXQDLUVOT-UHFFFAOYSA-N 1 0 396.535 3.550 20 30 GHEDRO CC[NH+](CC)CCOc1cc(NC(=O)CC#Cc2ccccc2)ccc1OC ZINC001125694067 835198299 /nfs/dbraw/zinc/19/82/99/835198299.db2.gz UMGSSARUUQYQEH-UHFFFAOYSA-N 1 0 380.488 3.796 20 30 GHEDRO C[N@@H+]1CCC[C@H](CN2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001208613652 835229930 /nfs/dbraw/zinc/22/99/30/835229930.db2.gz XKBGYIIDGTVVHL-INIZCTEOSA-N 1 0 376.342 3.648 20 30 GHEDRO C[N@H+](CCCNCc1cn(CCC#N)nc1-c1ccncc1)C1CCCCC1 ZINC000278542511 835349378 /nfs/dbraw/zinc/34/93/78/835349378.db2.gz AFHMTGVWFDMCJM-UHFFFAOYSA-N 1 0 380.540 3.603 20 30 GHEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1F ZINC000278555341 835386995 /nfs/dbraw/zinc/38/69/95/835386995.db2.gz BWSCLJNDRLVZOP-INIZCTEOSA-N 1 0 379.439 3.555 20 30 GHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000151478576 835460849 /nfs/dbraw/zinc/46/08/49/835460849.db2.gz HNZAAVUQPGRXIC-IBGZPJMESA-N 1 0 392.421 3.629 20 30 GHEDRO C[C@@]1(C#N)CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000612122313 835553020 /nfs/dbraw/zinc/55/30/20/835553020.db2.gz OINGBUXSEJZFNN-NRFANRHFSA-N 1 0 388.943 3.887 20 30 GHEDRO C[C@]1(C#N)CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000612122314 835553148 /nfs/dbraw/zinc/55/31/48/835553148.db2.gz OINGBUXSEJZFNN-OAQYLSRUSA-N 1 0 388.943 3.887 20 30 GHEDRO C=CCCC1(CNC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CCCC1 ZINC000658296112 835559614 /nfs/dbraw/zinc/55/96/14/835559614.db2.gz QRFLJCWHAVRNEP-IBGZPJMESA-N 1 0 399.535 3.653 20 30 GHEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000127098598 835647743 /nfs/dbraw/zinc/64/77/43/835647743.db2.gz BTZRFGLAJMBIIA-OAHLLOKOSA-N 1 0 382.439 3.905 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274828209 835668774 /nfs/dbraw/zinc/66/87/74/835668774.db2.gz LJCIGNNMDKOJTD-WJPUGNRLSA-N 1 0 394.519 3.595 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cc(C)no2)cc1OC ZINC000513001503 844094271 /nfs/dbraw/zinc/09/42/71/844094271.db2.gz IKUCTRGGJPBQGV-UHFFFAOYSA-N 1 0 381.270 3.651 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2n[nH]cc2c1 ZINC000584337547 835894127 /nfs/dbraw/zinc/89/41/27/835894127.db2.gz KZYFVENSNVVTJA-GFCCVEGCSA-N 1 0 379.489 3.664 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC ZINC000179626520 835897412 /nfs/dbraw/zinc/89/74/12/835897412.db2.gz VRKWYSUYQNJCAY-ZDUSSCGKSA-N 1 0 387.867 3.827 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC ZINC000179626501 835897448 /nfs/dbraw/zinc/89/74/48/835897448.db2.gz VRKWYSUYQNJCAY-CYBMUJFWSA-N 1 0 387.867 3.827 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)CC1 ZINC000375794235 835898046 /nfs/dbraw/zinc/89/80/46/835898046.db2.gz KPIVNJREYLPQIT-HXUWFJFHSA-N 1 0 385.556 3.715 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134789224 835978215 /nfs/dbraw/zinc/97/82/15/835978215.db2.gz JDCKCHFDJGYVAG-QZTJIDSGSA-N 1 0 387.480 3.676 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000430295507 836075462 /nfs/dbraw/zinc/07/54/62/836075462.db2.gz CPBRCVSRONUHFX-HXUWFJFHSA-N 1 0 393.535 3.704 20 30 GHEDRO C=CCCCC[NH+]1CCC(c2cc3c(ncn3C)c(N(C)CCOC)n2)CC1 ZINC001209200041 836156353 /nfs/dbraw/zinc/15/63/53/836156353.db2.gz FKVLTFXBAHDAFD-UHFFFAOYSA-N 1 0 385.556 3.587 20 30 GHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000179878275 836210023 /nfs/dbraw/zinc/21/00/23/836210023.db2.gz MJUHZTDSLAHRNR-YADHBBJMSA-N 1 0 388.515 3.993 20 30 GHEDRO CC(C)[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1cccnc1 ZINC000177290116 836262039 /nfs/dbraw/zinc/26/20/39/836262039.db2.gz KTQYKOOJWMLPSH-KRWDZBQOSA-N 1 0 380.414 3.824 20 30 GHEDRO COc1cc(C)c(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000179888682 836267741 /nfs/dbraw/zinc/26/77/41/836267741.db2.gz ALLXNMSTCYEADS-UHFFFAOYSA-N 1 0 390.487 3.916 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000582449844 836295088 /nfs/dbraw/zinc/29/50/88/836295088.db2.gz UFKUUDIWCAERKJ-FXAWDEMLSA-N 1 0 389.455 3.836 20 30 GHEDRO Cn1ccc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000173836045 836298719 /nfs/dbraw/zinc/29/87/19/836298719.db2.gz NGAIFJTUTYRIMG-UHFFFAOYSA-N 1 0 387.487 3.790 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000187664881 844157884 /nfs/dbraw/zinc/15/78/84/844157884.db2.gz WPYHOYQIACIFJY-RBBKRZOGSA-N 1 0 389.547 3.548 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc(OC)c1O ZINC000092704602 844164601 /nfs/dbraw/zinc/16/46/01/844164601.db2.gz FVJNXPYFWXETLA-LJQANCHMSA-N 1 0 399.466 3.664 20 30 GHEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000179999439 836569051 /nfs/dbraw/zinc/56/90/51/836569051.db2.gz PYCVTKODMMQCCR-DNVCBOLYSA-N 1 0 378.432 3.621 20 30 GHEDRO COCC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000613503348 836619853 /nfs/dbraw/zinc/61/98/53/836619853.db2.gz KSDLOAPPPOUWJD-LSDHHAIUSA-N 1 0 375.538 3.574 20 30 GHEDRO N#Cc1cnc(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)c(Cl)c1 ZINC001167167152 836762470 /nfs/dbraw/zinc/76/24/70/836762470.db2.gz XGTFHJYPBJBMSC-UHFFFAOYSA-N 1 0 388.656 3.621 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C#N)c1C ZINC000247096684 836799662 /nfs/dbraw/zinc/79/96/62/836799662.db2.gz WWFYVKRTEQAEJL-IEZWGBDMSA-N 1 0 386.540 3.682 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000559333111 836832318 /nfs/dbraw/zinc/83/23/18/836832318.db2.gz HVGPLUUYANWVLR-UHFFFAOYSA-N 1 0 386.377 3.989 20 30 GHEDRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180038992 836858123 /nfs/dbraw/zinc/85/81/23/836858123.db2.gz BIFBAYFYJQEXPB-UHFFFAOYSA-N 1 0 387.487 3.843 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000119466171 836867995 /nfs/dbraw/zinc/86/79/95/836867995.db2.gz ILQKLAYKZQHZQV-JKSUJKDBSA-N 1 0 387.499 3.996 20 30 GHEDRO C[C@](CO)([NH2+]CCCOc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000610786442 844210452 /nfs/dbraw/zinc/21/04/52/844210452.db2.gz FRQCITULTSIMOU-LJQANCHMSA-N 1 0 378.394 3.843 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000066175151 836906800 /nfs/dbraw/zinc/90/68/00/836906800.db2.gz JIBFCOGZGCNRLS-QFIPXVFZSA-N 1 0 378.520 3.651 20 30 GHEDRO Cn1cc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180050072 836920190 /nfs/dbraw/zinc/92/01/90/836920190.db2.gz KNDVLKKLJRXZIQ-UHFFFAOYSA-N 1 0 399.542 3.755 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC001203391471 836941138 /nfs/dbraw/zinc/94/11/38/836941138.db2.gz GTVBTCHTPAFCKV-UHFFFAOYSA-N 1 0 392.219 3.545 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(N(C)C)cc1 ZINC000027058923 837024923 /nfs/dbraw/zinc/02/49/23/837024923.db2.gz LSTUDYYZROHKMK-UHFFFAOYSA-O 1 0 396.580 3.988 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000510253392 837052336 /nfs/dbraw/zinc/05/23/36/837052336.db2.gz HHXWUSCXANBOTD-UTKZUKDTSA-N 1 0 377.488 3.656 20 30 GHEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188607938 837089496 /nfs/dbraw/zinc/08/94/96/837089496.db2.gz XGUNHDYYXMSWRG-UHFFFAOYSA-N 1 0 381.863 3.924 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000472494190 837159099 /nfs/dbraw/zinc/15/90/99/837159099.db2.gz FDQMBRXPWKIAJC-FHWLQOOXSA-N 1 0 391.515 3.598 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccccc2)on1 ZINC000176196304 837214060 /nfs/dbraw/zinc/21/40/60/837214060.db2.gz GKJZLBHUXKEJJQ-UHFFFAOYSA-N 1 0 389.459 3.809 20 30 GHEDRO CC(C)(CCC#N)C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000610270779 837318609 /nfs/dbraw/zinc/31/86/09/837318609.db2.gz WMHCBYNNMLADPJ-GOSISDBHSA-N 1 0 383.458 3.998 20 30 GHEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181183811 837867662 /nfs/dbraw/zinc/86/76/62/837867662.db2.gz BUHVWFAJABEZPL-INIZCTEOSA-N 1 0 388.313 3.873 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000136252135 837929253 /nfs/dbraw/zinc/92/92/53/837929253.db2.gz NAVRFJRAJONACB-UHFFFAOYSA-N 1 0 382.483 3.881 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2cccc(C#N)c2)CC1 ZINC000177362013 837931289 /nfs/dbraw/zinc/93/12/89/837931289.db2.gz SFSUGCLPFBTBSS-UHFFFAOYSA-N 1 0 379.529 3.740 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1C#N ZINC000609025051 837986021 /nfs/dbraw/zinc/98/60/21/837986021.db2.gz XSHKPFIQQLYJHV-SPLOXXLWSA-N 1 0 386.565 3.793 20 30 GHEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000415708142 838008086 /nfs/dbraw/zinc/00/80/86/838008086.db2.gz XAOCOYSMLOCBEM-YJBOKZPZSA-N 1 0 394.523 3.775 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)n(-c2ccc(C#N)cc2)n1 ZINC000415708057 838008418 /nfs/dbraw/zinc/00/84/18/838008418.db2.gz WRLXHPVPRLTLTL-SJORKVTESA-N 1 0 394.523 3.680 20 30 GHEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 ZINC000415703203 838015471 /nfs/dbraw/zinc/01/54/71/838015471.db2.gz QGKRAKSIYUOSRJ-NVXWUHKLSA-N 1 0 394.523 3.633 20 30 GHEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)COc3ccccc3C(F)(F)F)CC2)c1 ZINC000560163801 838094421 /nfs/dbraw/zinc/09/44/21/838094421.db2.gz OOZAZIJDMWIKPN-INIZCTEOSA-N 1 0 376.378 3.596 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(-n3ccc4cc(C[NH3+])cnc43)nn2)c1 ZINC001167311467 838134412 /nfs/dbraw/zinc/13/44/12/838134412.db2.gz MSYULUIMYRGQFN-UHFFFAOYSA-N 1 0 394.360 3.832 20 30 GHEDRO N#Cc1cnc2cc(Br)ccc2c1-n1ccc2cc(C[NH3+])cnc21 ZINC001167313829 838200636 /nfs/dbraw/zinc/20/06/36/838200636.db2.gz OOPAAKBPZXMREE-UHFFFAOYSA-N 1 0 378.233 3.667 20 30 GHEDRO CCC1(CNC(=O)c2ncc(C#N)cc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000560334164 838253087 /nfs/dbraw/zinc/25/30/87/838253087.db2.gz XCJKCNYGBWIUKR-UHFFFAOYSA-N 1 0 376.504 3.684 20 30 GHEDRO Cc1ccc(N2CCC[C@H]([N@@H+]3CCCN(c4ccccc4C#N)CC3)C2=O)cc1 ZINC001167318686 838253685 /nfs/dbraw/zinc/25/36/85/838253685.db2.gz PRALDHZJRZBZGX-QHCPKHFHSA-N 1 0 388.515 3.574 20 30 GHEDRO C=CCOc1ccccc1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178250172 838298857 /nfs/dbraw/zinc/29/88/57/838298857.db2.gz ULNBNSPUUXVQQW-OALUTQOASA-N 1 0 386.536 3.603 20 30 GHEDRO Cc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728266374 838313687 /nfs/dbraw/zinc/31/36/87/838313687.db2.gz VCDXXODGBUZYPZ-UHFFFAOYSA-N 1 0 376.504 3.666 20 30 GHEDRO CC[C@@](C)(O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000189731325 838390142 /nfs/dbraw/zinc/39/01/42/838390142.db2.gz DMETVWRXQBJOII-OAQYLSRUSA-N 1 0 385.895 3.813 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000187321761 838449610 /nfs/dbraw/zinc/44/96/10/838449610.db2.gz JHTHEDTXOZDTDW-FXAWDEMLSA-N 1 0 379.529 3.851 20 30 GHEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000584556195 838454397 /nfs/dbraw/zinc/45/43/97/838454397.db2.gz RQFZAYCZUXAQDY-OAQYLSRUSA-N 1 0 393.522 3.895 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000659591708 838522021 /nfs/dbraw/zinc/52/20/21/838522021.db2.gz OHIQGHJUHKEILH-FPOVZHCZSA-N 1 0 397.494 3.678 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000471498214 838552783 /nfs/dbraw/zinc/55/27/83/838552783.db2.gz AACYWQVMXVNQDQ-ICSRJNTNSA-N 1 0 394.523 3.666 20 30 GHEDRO COC(=O)[C@@H](C)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000414488130 838577976 /nfs/dbraw/zinc/57/79/76/838577976.db2.gz NYIBJXXHIIMMLW-KRWDZBQOSA-N 1 0 377.488 3.911 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610346600 838586430 /nfs/dbraw/zinc/58/64/30/838586430.db2.gz YHPMKJTVTGMXJX-IRXDYDNUSA-N 1 0 376.460 3.553 20 30 GHEDRO N#Cc1csc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000177689167 838655333 /nfs/dbraw/zinc/65/53/33/838655333.db2.gz ASGQAFVRGQHEHF-CYBMUJFWSA-N 1 0 376.323 3.998 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(C#N)c2C)CC1 ZINC000509904767 844357308 /nfs/dbraw/zinc/35/73/08/844357308.db2.gz KSZWWFJBVGYYGU-KRWDZBQOSA-N 1 0 394.494 3.639 20 30 GHEDRO N#Cc1ccc(CSCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000061285846 861191353 /nfs/dbraw/zinc/19/13/53/861191353.db2.gz MBPMQZZINSZLAL-UHFFFAOYSA-N 1 0 397.569 3.979 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000023741405 838842853 /nfs/dbraw/zinc/84/28/53/838842853.db2.gz RRGKWZXEWXURNH-OAQYLSRUSA-N 1 0 394.515 3.999 20 30 GHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000414834716 838871902 /nfs/dbraw/zinc/87/19/02/838871902.db2.gz GYUCUZRDPILOAR-LBPRGKRZSA-N 1 0 392.381 3.841 20 30 GHEDRO Cc1ccc2c(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)ccc(O)c2n1 ZINC000560965051 838880296 /nfs/dbraw/zinc/88/02/96/838880296.db2.gz SLWIRFRQRAMJER-UHFFFAOYSA-N 1 0 386.499 3.828 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000050026671 839039423 /nfs/dbraw/zinc/03/94/23/839039423.db2.gz MYQAKMXDWVNERL-JOCHJYFZSA-N 1 0 385.511 3.761 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000050026669 839040819 /nfs/dbraw/zinc/04/08/19/839040819.db2.gz MYQAKMXDWVNERL-QFIPXVFZSA-N 1 0 385.511 3.761 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)cc1 ZINC000415034927 839099559 /nfs/dbraw/zinc/09/95/59/839099559.db2.gz ILPISTJPXJTJDF-ZLGUVYLKSA-N 1 0 376.460 3.942 20 30 GHEDRO CCOC(=O)C1CCC([N@H+](CC)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000549180827 839182775 /nfs/dbraw/zinc/18/27/75/839182775.db2.gz XEMXWDUVNBWQQI-UHFFFAOYSA-N 1 0 382.464 3.552 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@]23CCc2ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000378481884 839194473 /nfs/dbraw/zinc/19/44/73/839194473.db2.gz KXAHVVNHDRVLDQ-RDGATRHJSA-N 1 0 385.511 3.565 20 30 GHEDRO N#CC1(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378483897 839205571 /nfs/dbraw/zinc/20/55/71/839205571.db2.gz RPHHKQSILCJGAS-AZUAARDMSA-N 1 0 395.453 3.743 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565551161 839232913 /nfs/dbraw/zinc/23/29/13/839232913.db2.gz VRRHRWKAVBYLCW-LADRWXRNSA-N 1 0 378.432 3.829 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3cccc(OC(F)(F)F)c3)CC2)nc1 ZINC000892861667 839263993 /nfs/dbraw/zinc/26/39/93/839263993.db2.gz VTHRZJKKJNOWAF-UHFFFAOYSA-N 1 0 390.409 3.653 20 30 GHEDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610423879 839275659 /nfs/dbraw/zinc/27/56/59/839275659.db2.gz GMFIMGISRXRPRF-UHFFFAOYSA-N 1 0 384.505 3.759 20 30 GHEDRO CN(C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000579608963 839463226 /nfs/dbraw/zinc/46/32/26/839463226.db2.gz JGOAZEZSQRINIP-UHFFFAOYSA-N 1 0 382.439 3.840 20 30 GHEDRO Cc1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1OCC[NH+](C)C ZINC000458194673 844438421 /nfs/dbraw/zinc/43/84/21/844438421.db2.gz DQIIOYYCQAXNKB-UHFFFAOYSA-N 1 0 383.467 3.863 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000416676657 839520753 /nfs/dbraw/zinc/52/07/53/839520753.db2.gz YVAWXPDBCBHGHY-QHCPKHFHSA-N 1 0 388.515 3.899 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377527577 839679314 /nfs/dbraw/zinc/67/93/14/839679314.db2.gz YDEBOGIBJFZVHZ-UHFFFAOYSA-N 1 0 388.924 3.584 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c(C#N)c1C ZINC000377642603 839864090 /nfs/dbraw/zinc/86/40/90/839864090.db2.gz MGOZBBBTPFOXRY-HXUWFJFHSA-N 1 0 395.528 3.859 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433488199 844488633 /nfs/dbraw/zinc/48/86/33/844488633.db2.gz UAPRHWGQHQDCOC-NZQKXSOJSA-N 1 0 375.516 3.882 20 30 GHEDRO COc1c(Br)cc(Br)c(Nc2c[nH+]cn2C)c1C#N ZINC001211251781 839966214 /nfs/dbraw/zinc/96/62/14/839966214.db2.gz OYTWARZCUJYOGS-UHFFFAOYSA-N 1 0 386.047 3.569 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000328749427 840075922 /nfs/dbraw/zinc/07/59/22/840075922.db2.gz QWKIZHMNVPCYGG-UWHLTILDSA-N 1 0 397.563 3.748 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000580734511 840087367 /nfs/dbraw/zinc/08/73/67/840087367.db2.gz RQGANPDVDSBZGV-MBSDFSHPSA-N 1 0 388.515 3.895 20 30 GHEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000579824639 840090286 /nfs/dbraw/zinc/09/02/86/840090286.db2.gz PJPOOCCQGKQNLA-CYBMUJFWSA-N 1 0 397.327 3.860 20 30 GHEDRO C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000580748084 840123510 /nfs/dbraw/zinc/12/35/10/840123510.db2.gz RAJGQTIUJIACNX-UHFFFAOYSA-N 1 0 378.524 3.562 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580826371 840286283 /nfs/dbraw/zinc/28/62/83/840286283.db2.gz IMQRJUYZOJDUSX-BNGSBABLSA-N 1 0 381.520 3.559 20 30 GHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509728283 840329586 /nfs/dbraw/zinc/32/95/86/840329586.db2.gz IPJDMKZMXVOXJM-XMSQKQJNSA-N 1 0 376.504 3.658 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)s1 ZINC000580945498 840491530 /nfs/dbraw/zinc/49/15/30/840491530.db2.gz JPOIFGDTMFAXRW-TZMCWYRMSA-N 1 0 395.322 3.667 20 30 GHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC(=O)NC3(C)C)cc2)CC1 ZINC000328759969 840519671 /nfs/dbraw/zinc/51/96/71/840519671.db2.gz XCOGLUKUFGLJGE-LJQANCHMSA-N 1 0 386.540 3.820 20 30 GHEDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417362520 840769193 /nfs/dbraw/zinc/76/91/93/840769193.db2.gz ADCSYZWPBOHGNF-VBKZILBWSA-N 1 0 378.432 3.851 20 30 GHEDRO COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417371323 840786874 /nfs/dbraw/zinc/78/68/74/840786874.db2.gz ULJDQFYMCLNYIK-XZOQPEGZSA-N 1 0 387.487 3.957 20 30 GHEDRO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000156961557 840938869 /nfs/dbraw/zinc/93/88/69/840938869.db2.gz LLZHTZYMCLARKJ-PXNSSMCTSA-N 1 0 396.560 3.933 20 30 GHEDRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000066993442 840952510 /nfs/dbraw/zinc/95/25/10/840952510.db2.gz MCRORIFPDWDBJD-UHFFFAOYSA-N 1 0 390.531 3.739 20 30 GHEDRO CC1(C)CN(C(=O)c2ccnc(C#N)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000584820514 840982802 /nfs/dbraw/zinc/98/28/02/840982802.db2.gz UGRGCLCENAXTNL-QFIPXVFZSA-N 1 0 388.515 3.716 20 30 GHEDRO CC(C)(CO)[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccnc1 ZINC000660637024 841038690 /nfs/dbraw/zinc/03/86/90/841038690.db2.gz FNHCTURKUQRCEN-SFHVURJKSA-N 1 0 378.394 3.681 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCc4sccc43)CC2)cc1 ZINC000136531701 841177909 /nfs/dbraw/zinc/17/79/09/841177909.db2.gz JENIEHACYNKZIT-FQEVSTJZSA-N 1 0 394.544 3.915 20 30 GHEDRO CCNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1cccc(CO)c1 ZINC000027055607 841210223 /nfs/dbraw/zinc/21/02/23/841210223.db2.gz KQPXFPGTDMLWKS-UHFFFAOYSA-O 1 0 385.534 3.538 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000417981113 841353730 /nfs/dbraw/zinc/35/37/30/841353730.db2.gz JJSDQEORWFHTPY-IYARVYRRSA-N 1 0 376.504 3.790 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccccc1CC ZINC000027310050 841371017 /nfs/dbraw/zinc/37/10/17/841371017.db2.gz ISIAGNWBEBFPLZ-UHFFFAOYSA-O 1 0 381.521 3.576 20 30 GHEDRO CNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1ccc(N(C)C)cc1 ZINC000027300896 841377399 /nfs/dbraw/zinc/37/73/99/841377399.db2.gz HUNNWADUTJSCGR-UHFFFAOYSA-O 1 0 384.550 3.721 20 30 GHEDRO CNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(Cc2ccccc2)cc1 ZINC000027302784 841378031 /nfs/dbraw/zinc/37/80/31/841378031.db2.gz LLZZQOICCRJUSP-UHFFFAOYSA-O 1 0 391.516 3.732 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1CC ZINC000027326589 841382959 /nfs/dbraw/zinc/38/29/59/841382959.db2.gz MUXBGLHWDOFPIZ-UHFFFAOYSA-O 1 0 386.497 3.773 20 30 GHEDRO CCO[C@@H](C)c1nc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000255306853 841391783 /nfs/dbraw/zinc/39/17/83/841391783.db2.gz YPOULSOCOXOWBP-HNNXBMFYSA-N 1 0 375.494 3.628 20 30 GHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)C1 ZINC000651699854 841394555 /nfs/dbraw/zinc/39/45/55/841394555.db2.gz JLSRVGDGZIJFQE-GJZGRUSLSA-N 1 0 395.341 3.912 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000661119073 841414640 /nfs/dbraw/zinc/41/46/40/841414640.db2.gz BQMLZQJKXZCCEN-VSKRKVRLSA-N 1 0 397.563 3.569 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329248878 861199991 /nfs/dbraw/zinc/19/99/91/861199991.db2.gz AMQVOXLHVNUHBF-MFWIUYSUSA-N 1 0 378.561 3.677 20 30 GHEDRO COc1cc(CNCC#Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000177715575 861212563 /nfs/dbraw/zinc/21/25/63/861212563.db2.gz GRWCXPNEFPKIEU-UHFFFAOYSA-N 1 0 394.349 3.772 20 30 GHEDRO COc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000045102721 841589937 /nfs/dbraw/zinc/58/99/37/841589937.db2.gz BRMDRAAQNMBAER-INIZCTEOSA-N 1 0 398.482 3.540 20 30 GHEDRO C#Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000730666774 861223636 /nfs/dbraw/zinc/22/36/36/861223636.db2.gz WQSBIVOMLYXQMJ-UHFFFAOYSA-N 1 0 396.922 3.655 20 30 GHEDRO Cc1[nH+]ccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1Br ZINC000581583562 841718754 /nfs/dbraw/zinc/71/87/54/841718754.db2.gz UBJATCRSQIEKRK-UHFFFAOYSA-N 1 0 396.292 3.964 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000661416197 841723864 /nfs/dbraw/zinc/72/38/64/841723864.db2.gz WUGMDZTZDRMKSY-IFMALSPDSA-N 1 0 385.552 3.577 20 30 GHEDRO CC(=O)N[C@@H](CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1cccs1 ZINC000329275107 861232520 /nfs/dbraw/zinc/23/25/20/861232520.db2.gz BLRJQCDWVCBDAY-VJFUWPCTSA-N 1 0 377.554 3.879 20 30 GHEDRO C#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)cn1 ZINC000728822386 841849478 /nfs/dbraw/zinc/84/94/78/841849478.db2.gz OADDFXJFLYAFKB-UHFFFAOYSA-N 1 0 390.487 3.520 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000046890664 841898708 /nfs/dbraw/zinc/89/87/08/841898708.db2.gz BKZCKHRBUOSYJZ-QFIPXVFZSA-N 1 0 394.519 3.791 20 30 GHEDRO O=C(NCc1cccc(-n2ccnc2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000329289656 861249770 /nfs/dbraw/zinc/24/97/70/861249770.db2.gz AFHWVCWDGLNFSQ-NRFANRHFSA-N 1 0 395.551 3.874 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000549557225 841988816 /nfs/dbraw/zinc/98/88/16/841988816.db2.gz ULQMKAVQFGBRDH-GUYCJALGSA-N 1 0 388.393 3.537 20 30 GHEDRO O=C(N1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1)C(F)(F)C(F)F ZINC001273093441 861281098 /nfs/dbraw/zinc/28/10/98/861281098.db2.gz GUAQBLNQDQNTPA-ZDUSSCGKSA-N 1 0 378.332 3.544 20 30 GHEDRO C=CC[C@@H]1CC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000599526758 861288656 /nfs/dbraw/zinc/28/86/56/861288656.db2.gz RITBLWCMSAILDV-GOSISDBHSA-N 1 0 380.492 3.845 20 30 GHEDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000597616068 842293302 /nfs/dbraw/zinc/29/33/02/842293302.db2.gz CJROAWOCDYDPAF-RBBKRZOGSA-N 1 0 399.579 3.794 20 30 GHEDRO Cc1cc(NC(=O)N2CCCC23CC[NH+](C)CC3)cnc1N1CCCC[C@H]1C ZINC000329341358 861304795 /nfs/dbraw/zinc/30/47/95/861304795.db2.gz OXJRCGWFBCWBEP-GOSISDBHSA-N 1 0 385.556 3.875 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000049982050 842465518 /nfs/dbraw/zinc/46/55/18/842465518.db2.gz HFUWIPCBLRFVFX-MRXNPFEDSA-N 1 0 388.943 3.737 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107194727 842496854 /nfs/dbraw/zinc/49/68/54/842496854.db2.gz ZWHFANLYOCZFBQ-UHFFFAOYSA-N 1 0 392.459 3.833 20 30 GHEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1n1ccnc1 ZINC000156444248 842588853 /nfs/dbraw/zinc/58/88/53/842588853.db2.gz KIUZEQVUUUMGEF-QAPCUYQASA-N 1 0 397.548 3.607 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC([C@H]2CCCCO2)CC1)C(C)C ZINC000663668468 842600706 /nfs/dbraw/zinc/60/07/06/842600706.db2.gz PESXTAJICKAQAZ-NHCUHLMSSA-N 1 0 377.573 3.676 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610558023 842612376 /nfs/dbraw/zinc/61/23/76/842612376.db2.gz LYBVBKHBAWVOGK-SFHVURJKSA-N 1 0 393.491 3.941 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C(F)(F)F)C1 ZINC000571142814 842694076 /nfs/dbraw/zinc/69/40/76/842694076.db2.gz JQABTUAARBGFTB-CHWSQXEVSA-N 1 0 385.455 3.956 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000247431994 842786562 /nfs/dbraw/zinc/78/65/62/842786562.db2.gz WLXXPYCBIWGYSK-QWFCFKBJSA-N 1 0 387.524 3.747 20 30 GHEDRO COc1cccc(C(=O)N2CCC([NH2+]Cc3ccc(Cl)c(C#N)c3)CC2)c1 ZINC001167866521 842949851 /nfs/dbraw/zinc/94/98/51/842949851.db2.gz STGPZNHQFVBWNP-UHFFFAOYSA-N 1 0 383.879 3.615 20 30 GHEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000125753198 843023043 /nfs/dbraw/zinc/02/30/43/843023043.db2.gz KBLICPIJRIVLPB-UHFFFAOYSA-N 1 0 386.418 3.551 20 30 GHEDRO Cc1nc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)no1 ZINC000329396178 861371978 /nfs/dbraw/zinc/37/19/78/861371978.db2.gz UICRLGPHFFABHW-JXFKEZNVSA-N 1 0 397.523 3.861 20 30 GHEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc2c(c1)OCO2 ZINC000279449826 843063794 /nfs/dbraw/zinc/06/37/94/843063794.db2.gz SNMLJBFARHNPKZ-UHFFFAOYSA-N 1 0 389.459 3.610 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599594904 861381047 /nfs/dbraw/zinc/38/10/47/861381047.db2.gz MUWVBMMIQQVDCA-KKSFZXQISA-N 1 0 389.565 3.940 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430921972 843189425 /nfs/dbraw/zinc/18/94/25/843189425.db2.gz WEUAMLWEPZSGFX-IBGZPJMESA-N 1 0 383.517 3.672 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1Cl ZINC000510685772 843193737 /nfs/dbraw/zinc/19/37/37/843193737.db2.gz LASUOONHRJFKLO-QFIPXVFZSA-N 1 0 395.890 3.714 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC000481442590 861398293 /nfs/dbraw/zinc/39/82/93/861398293.db2.gz XBPRUBFCSALKEM-QGZVFWFLSA-N 1 0 379.504 3.961 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(F)F ZINC000662567311 843411900 /nfs/dbraw/zinc/41/19/00/843411900.db2.gz UIKUIGXHFKXVJB-VIFPVBQESA-N 1 0 396.253 3.688 20 30 GHEDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632242 861422374 /nfs/dbraw/zinc/42/23/74/861422374.db2.gz XSOPIPSOCJYORI-KRWDZBQOSA-N 1 0 395.478 3.512 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418662712 843511271 /nfs/dbraw/zinc/51/12/71/843511271.db2.gz UWBDITGOFDGOAB-YPAWHYETSA-N 1 0 376.504 3.948 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000418653116 843512423 /nfs/dbraw/zinc/51/24/23/843512423.db2.gz NZLKXCVYQQQLCV-NRFANRHFSA-N 1 0 383.540 3.814 20 30 GHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418686129 843532912 /nfs/dbraw/zinc/53/29/12/843532912.db2.gz CAYMXRPOMSLWRG-ZDUSSCGKSA-N 1 0 386.309 3.803 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000178503709 843540824 /nfs/dbraw/zinc/54/08/24/843540824.db2.gz OXLXNYDDVXQYJR-ACJLOTCBSA-N 1 0 375.266 3.563 20 30 GHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610697544 843561992 /nfs/dbraw/zinc/56/19/92/843561992.db2.gz VZNRDGJUPLHJJD-SFHVURJKSA-N 1 0 393.491 3.845 20 30 GHEDRO CC(C)CN1CCO[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000236797182 843601450 /nfs/dbraw/zinc/60/14/50/843601450.db2.gz NZUIOUHWTBKFMZ-DEOSSOPVSA-N 1 0 393.531 3.584 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418765572 843609153 /nfs/dbraw/zinc/60/91/53/843609153.db2.gz LSFSFYDIQWERRI-UHFFFAOYSA-N 1 0 399.583 3.705 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2cccs2)N2CCOCC2)c(O)c1 ZINC000005227851 843647471 /nfs/dbraw/zinc/64/74/71/843647471.db2.gz VMRBLQMVVDECKF-OMNSNBSWSA-N 1 0 387.549 3.792 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4c(O)cccc4C3)sc2C1 ZINC000599649223 861446385 /nfs/dbraw/zinc/44/63/85/861446385.db2.gz YWZLWNCPHXPRRX-CQSZACIVSA-N 1 0 395.528 3.837 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510896774 843746318 /nfs/dbraw/zinc/74/63/18/843746318.db2.gz LSQOOCXBXBTCCM-YLJYHZDGSA-N 1 0 392.503 3.989 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)N2CCC(CCC#N)CC2)[NH+]2CCCC2)cc1 ZINC000563034308 843793409 /nfs/dbraw/zinc/79/34/09/843793409.db2.gz DYULNCOXJJRRBB-OAQYLSRUSA-N 1 0 384.524 3.557 20 30 GHEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000512443810 843819848 /nfs/dbraw/zinc/81/98/48/843819848.db2.gz HQCPFCJAMCGAEU-CVEARBPZSA-N 1 0 389.565 3.843 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H](C)c1cccs1 ZINC000669334554 843839833 /nfs/dbraw/zinc/83/98/33/843839833.db2.gz IGAMKQIDXIGEHD-ZACQAIPSSA-N 1 0 387.553 3.649 20 30 GHEDRO C[NH+](C)CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000509825317 843900013 /nfs/dbraw/zinc/90/00/13/843900013.db2.gz BZXIJUNQICISNZ-UHFFFAOYSA-N 1 0 394.494 3.509 20 30 GHEDRO N#CCc1cccc2c1CCN(CCC[N@H+]1CCc3c(CC#N)cccc3C1)C2 ZINC000599678065 861476230 /nfs/dbraw/zinc/47/62/30/861476230.db2.gz RKODRIBRCMBMPM-UHFFFAOYSA-N 1 0 384.527 3.625 20 30 GHEDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000512487376 843994649 /nfs/dbraw/zinc/99/46/49/843994649.db2.gz UJBCQGNGDYRBEY-ZJSXRUAMSA-N 1 0 389.543 3.681 20 30 GHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(OC(F)F)c2)c(-c2ccncc2)n1 ZINC000433310369 844006928 /nfs/dbraw/zinc/00/69/28/844006928.db2.gz HKTMGOIELPCQEI-UHFFFAOYSA-N 1 0 383.402 3.750 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCc2ccc3ccccc3n2)c(-c2ccncc2)n1 ZINC000433317953 844009477 /nfs/dbraw/zinc/00/94/77/844009477.db2.gz JWJZAXYHUQVWSR-UHFFFAOYSA-N 1 0 382.471 3.739 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCOC(C)(C)C)sc2C1 ZINC000610859992 844704950 /nfs/dbraw/zinc/70/49/50/844704950.db2.gz ZRNKKJJDOHHVJG-AWEZNQCLSA-N 1 0 377.554 3.820 20 30 GHEDRO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659215 861490300 /nfs/dbraw/zinc/49/03/00/861490300.db2.gz GGDBWEBFNQCIRL-UHFFFAOYSA-N 1 0 384.911 3.734 20 30 GHEDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1cccc(Br)c1 ZINC000329471526 861494268 /nfs/dbraw/zinc/49/42/68/861494268.db2.gz ZOHIDROOWXTNPU-USXIJHARSA-N 1 0 379.298 3.974 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1F ZINC000512621075 844763688 /nfs/dbraw/zinc/76/36/88/844763688.db2.gz UXWXRUFRPCYCPT-BBWFWOEESA-N 1 0 395.478 3.798 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000512631552 844822799 /nfs/dbraw/zinc/82/27/99/844822799.db2.gz RMTBNDJYKFKDGW-WBVHZDCISA-N 1 0 383.467 3.892 20 30 GHEDRO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)cn1 ZINC000599698873 861506591 /nfs/dbraw/zinc/50/65/91/861506591.db2.gz MPXRUBSAZKUCNS-HSZRJFAPSA-N 1 0 392.503 3.695 20 30 GHEDRO C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512647842 844880622 /nfs/dbraw/zinc/88/06/22/844880622.db2.gz JTUOCZIHMLZHOX-IBGZPJMESA-N 1 0 380.511 3.556 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000610967494 844924731 /nfs/dbraw/zinc/92/47/31/844924731.db2.gz AXMLOIDEERGSAK-RBUKOAKNSA-N 1 0 391.471 3.513 20 30 GHEDRO Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000433019320 844971379 /nfs/dbraw/zinc/97/13/79/844971379.db2.gz MUKLNYXTXYNMKV-QHCPKHFHSA-N 1 0 390.531 3.668 20 30 GHEDRO C[NH+](C)CCCOc1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 ZINC000512679677 845013355 /nfs/dbraw/zinc/01/33/55/845013355.db2.gz YYURXONGUQXZQY-UHFFFAOYSA-N 1 0 381.451 3.698 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000673734590 861531568 /nfs/dbraw/zinc/53/15/68/861531568.db2.gz FVTMURYVUDDFFP-LJQANCHMSA-N 1 0 396.535 3.822 20 30 GHEDRO C[C@H](CCC#N)[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000411287326 845214610 /nfs/dbraw/zinc/21/46/10/845214610.db2.gz YJXONDVRQZWGDY-CQSZACIVSA-N 1 0 385.405 3.987 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000433108045 845314096 /nfs/dbraw/zinc/31/40/96/845314096.db2.gz YNMITGQEDDTLGM-QZTJIDSGSA-N 1 0 393.453 3.982 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235810 845370331 /nfs/dbraw/zinc/37/03/31/845370331.db2.gz IBLSMHMPCZGKOO-MJGOQNOKSA-N 1 0 387.487 3.647 20 30 GHEDRO COc1ccc(CC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000109964770 845370777 /nfs/dbraw/zinc/37/07/77/845370777.db2.gz LCKDQCZYSFUPFU-SFHVURJKSA-N 1 0 383.536 3.681 20 30 GHEDRO C[N@H+](Cc1ccccc1CNC(=O)c1cc(O)cc(C#N)c1)C1CCCCC1 ZINC000614297079 845546183 /nfs/dbraw/zinc/54/61/83/845546183.db2.gz OUPDEKIOXCCXEM-UHFFFAOYSA-N 1 0 377.488 3.958 20 30 GHEDRO CCn1cnnc1-c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182863495 845587008 /nfs/dbraw/zinc/58/70/08/845587008.db2.gz GRHITZNWYVZJEN-UHFFFAOYSA-N 1 0 386.503 3.913 20 30 GHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115350021 845906129 /nfs/dbraw/zinc/90/61/29/845906129.db2.gz MLOVTFALIAHREQ-HXUWFJFHSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000375656937 845964631 /nfs/dbraw/zinc/96/46/31/845964631.db2.gz TWXDLRZCKFTDQK-MZKRTTBSSA-N 1 0 397.563 3.812 20 30 GHEDRO N#Cc1ccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000582024555 846088234 /nfs/dbraw/zinc/08/82/34/846088234.db2.gz DLGCZNXRBPLIBO-UHFFFAOYSA-N 1 0 397.544 3.554 20 30 GHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ncc(C#N)cc3Cl)CC2)c1C ZINC000513650037 846191139 /nfs/dbraw/zinc/19/11/39/846191139.db2.gz IPCRRSBZOSXAEI-UHFFFAOYSA-N 1 0 399.926 3.728 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000329554942 861650302 /nfs/dbraw/zinc/65/03/02/861650302.db2.gz DOTATJHVOWGVNC-GOSISDBHSA-N 1 0 391.519 3.928 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000731481427 861654588 /nfs/dbraw/zinc/65/45/88/861654588.db2.gz SRNZXERHMYOWOB-LJQANCHMSA-N 1 0 398.551 3.717 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000280237225 846341129 /nfs/dbraw/zinc/34/11/29/846341129.db2.gz ARXPJUWOTAKLOU-HXUWFJFHSA-N 1 0 375.538 3.718 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000414546933 846489663 /nfs/dbraw/zinc/48/96/63/846489663.db2.gz YTUSXORHRFGUGA-QHCPKHFHSA-N 1 0 394.515 3.989 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1C#N ZINC000419398425 846521751 /nfs/dbraw/zinc/52/17/51/846521751.db2.gz WZWJWLHAHLRZCS-UXLLHSPISA-N 1 0 382.508 3.923 20 30 GHEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc2c(c1)CCCC2 ZINC000329572112 861691434 /nfs/dbraw/zinc/69/14/34/861691434.db2.gz MXRCCXRPAUSPCI-KNXBSLHKSA-N 1 0 385.552 3.508 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000502934316 846628500 /nfs/dbraw/zinc/62/85/00/846628500.db2.gz KICIDLLLFPTCFB-UHFFFAOYSA-N 1 0 396.510 3.748 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000419619791 846688549 /nfs/dbraw/zinc/68/85/49/846688549.db2.gz QBGGHQWFDPEEIT-SFTDATJTSA-N 1 0 380.467 3.677 20 30 GHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000582266722 846750425 /nfs/dbraw/zinc/75/04/25/846750425.db2.gz IYVBBAKODUDUDF-UHFFFAOYSA-N 1 0 391.471 3.655 20 30 GHEDRO COc1cc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(F)cc1C#N ZINC000599818895 861724715 /nfs/dbraw/zinc/72/47/15/861724715.db2.gz AGGYDTKUAUONRU-LJQANCHMSA-N 1 0 382.439 3.665 20 30 GHEDRO COc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)cc1C#N ZINC000599820121 861726582 /nfs/dbraw/zinc/72/65/82/861726582.db2.gz VAIYRYZPXRONOL-HNAYVOBHSA-N 1 0 396.466 3.738 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604080427 861726707 /nfs/dbraw/zinc/72/67/07/861726707.db2.gz PDTGBTMWGZNKGB-OAQYLSRUSA-N 1 0 379.504 3.715 20 30 GHEDRO Cc1nc2cc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC000158384109 846895012 /nfs/dbraw/zinc/89/50/12/846895012.db2.gz XXCJSRKAXQZGPB-UHFFFAOYSA-N 1 0 389.459 3.748 20 30 GHEDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000271873980 846941316 /nfs/dbraw/zinc/94/13/16/846941316.db2.gz XECBOZNMXNLGFQ-OAHLLOKOSA-N 1 0 392.908 3.757 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000501779125 847179662 /nfs/dbraw/zinc/17/96/62/847179662.db2.gz XABVIUNKLGXYAC-IAGOWNOFSA-N 1 0 395.469 3.724 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3cc(C)c(C#N)cn3)n2)cc1 ZINC000420474890 847192416 /nfs/dbraw/zinc/19/24/16/847192416.db2.gz DWXFANILPCFAPG-UHFFFAOYSA-N 1 0 377.448 3.699 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000501793912 847195492 /nfs/dbraw/zinc/19/54/92/847195492.db2.gz MMYMHNBKMWAJKY-ROUUACIJSA-N 1 0 387.487 3.703 20 30 GHEDRO N#CCCCS(=O)(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000111326873 847240975 /nfs/dbraw/zinc/24/09/75/847240975.db2.gz YAGBWKPSOSMVMO-UHFFFAOYSA-N 1 0 397.544 3.673 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(-c2ccncc2)n1 ZINC000582464371 847317601 /nfs/dbraw/zinc/31/76/01/847317601.db2.gz WJYYHKTXAJORTA-DEOSSOPVSA-N 1 0 399.498 3.880 20 30 GHEDRO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273402932 847327795 /nfs/dbraw/zinc/32/77/95/847327795.db2.gz HFADBZAULSEUOJ-FCHUYYIVSA-N 1 0 395.478 3.924 20 30 GHEDRO CCN(C(=O)COc1ccccc1C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501960719 847349896 /nfs/dbraw/zinc/34/98/96/847349896.db2.gz YGFWZELUMLKOCN-WIYYLYMNSA-N 1 0 377.488 3.621 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000503224170 847488540 /nfs/dbraw/zinc/48/85/40/847488540.db2.gz QDAWSXPUGXPTOS-OAQYLSRUSA-N 1 0 389.503 3.854 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000162528897 861801273 /nfs/dbraw/zinc/80/12/73/861801273.db2.gz WKHWRVCKYQIOTQ-UHFFFAOYSA-N 1 0 384.446 3.547 20 30 GHEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(CN2CCOCC2)cc1 ZINC000420959765 847580941 /nfs/dbraw/zinc/58/09/41/847580941.db2.gz GXLHDMXKLXBDDF-UHFFFAOYSA-N 1 0 382.552 3.875 20 30 GHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[NH+](CC3CC3)CC2)c1Br ZINC000479379065 847628865 /nfs/dbraw/zinc/62/88/65/847628865.db2.gz NKRJNYHYKZFJGJ-UHFFFAOYSA-N 1 0 385.309 3.709 20 30 GHEDRO CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475010883 861816679 /nfs/dbraw/zinc/81/66/79/861816679.db2.gz VWZXSBHFGVRNEM-XMSQKQJNSA-N 1 0 376.504 3.925 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC000503411618 847675352 /nfs/dbraw/zinc/67/53/52/847675352.db2.gz PNGCNGTVCAMXQH-SFTDATJTSA-N 1 0 389.515 3.607 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000131931770 861829686 /nfs/dbraw/zinc/82/96/86/861829686.db2.gz OCQCPTZOFQTNME-RXVVDRJESA-N 1 0 391.515 3.885 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000434202513 847822633 /nfs/dbraw/zinc/82/26/33/847822633.db2.gz GCDXCMUQGIUGQQ-UHFFFAOYSA-N 1 0 397.567 3.510 20 30 GHEDRO COc1ccc(OCC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000502506904 847949662 /nfs/dbraw/zinc/94/96/62/847949662.db2.gz LEPSVXPLAVKGJY-UHFFFAOYSA-N 1 0 379.416 3.643 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000421349787 847969050 /nfs/dbraw/zinc/96/90/50/847969050.db2.gz JIKKTGYFTIEDMD-NSHDSACASA-N 1 0 378.295 3.889 20 30 GHEDRO CC[C@@H]1C[C@H](C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC(=O)N1 ZINC000329636872 861857522 /nfs/dbraw/zinc/85/75/22/861857522.db2.gz YHOSYLDLFQVKOU-ZWKOTPCHSA-N 1 0 384.524 3.952 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COc1c(OC)cccc1OC)c1ccc(F)c(F)c1 ZINC000481617703 861866214 /nfs/dbraw/zinc/86/62/14/861866214.db2.gz WNIKALAGLHYSLD-FOIQADDNSA-N 1 0 393.430 3.629 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000582713531 848119858 /nfs/dbraw/zinc/11/98/58/848119858.db2.gz TYXIPXZNMGFCEE-ZIFCJYIRSA-N 1 0 376.460 3.860 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000431478612 848153896 /nfs/dbraw/zinc/15/38/96/848153896.db2.gz SKJWYWBCPMKZBN-UHFFFAOYSA-N 1 0 376.460 3.959 20 30 GHEDRO Cc1cc(NC(=O)Cc2ccc(OCC#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000119119817 848304642 /nfs/dbraw/zinc/30/46/42/848304642.db2.gz XHRVGLIDCFEVNH-UHFFFAOYSA-N 1 0 393.487 3.553 20 30 GHEDRO C=C(C)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC000187767423 848306436 /nfs/dbraw/zinc/30/64/36/848306436.db2.gz LOIHZFXXJZETDU-IBGZPJMESA-N 1 0 391.374 3.727 20 30 GHEDRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292214337 848467514 /nfs/dbraw/zinc/46/75/14/848467514.db2.gz ONRJDYLDBYGPFM-FQEVSTJZSA-N 1 0 392.503 3.751 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC3CCCCC3)cc2)c1C#N ZINC000133726241 848496437 /nfs/dbraw/zinc/49/64/37/848496437.db2.gz PJUAGHFCPXAYSF-UHFFFAOYSA-N 1 0 395.507 3.645 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(C#N)cc2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481641025 861930461 /nfs/dbraw/zinc/93/04/61/861930461.db2.gz LWCWXSDBJPASRX-UHFFFAOYSA-N 1 0 376.504 3.958 20 30 GHEDRO C#Cc1cccc(NC(=O)CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000052130613 849178217 /nfs/dbraw/zinc/17/82/17/849178217.db2.gz MTOMEUIHXVPIFJ-UHFFFAOYSA-N 1 0 397.478 3.991 20 30 GHEDRO O=C(c1ccc(F)c(Cl)c1)C(C(=S)NCC(F)(F)F)[n+]1ccccc1 ZINC000122090212 849231702 /nfs/dbraw/zinc/23/17/02/849231702.db2.gz YPQRCXCQSAXHGO-UHFFFAOYSA-O 1 0 391.797 3.857 20 30 GHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1ccc(C#N)cc1F ZINC000178825509 849370605 /nfs/dbraw/zinc/37/06/05/849370605.db2.gz NFDJLCUMTLIVDK-UHFFFAOYSA-N 1 0 378.245 3.802 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180231848 862027996 /nfs/dbraw/zinc/02/79/96/862027996.db2.gz OHHVWOAWEOGFFE-UHFFFAOYSA-N 1 0 393.535 3.623 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(=O)OC)cc1)C(=S)N[C@H](C)CC ZINC000278199457 849616749 /nfs/dbraw/zinc/61/67/49/849616749.db2.gz HDFKQQGHOHABLR-OAHLLOKOSA-O 1 0 399.536 3.650 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000583339029 849656787 /nfs/dbraw/zinc/65/67/87/849656787.db2.gz QNMWVPRLNUBNAC-MOPGFXCFSA-N 1 0 392.341 3.934 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[C@H]([NH+](CC)CC)C2)c1=S ZINC000161663417 849691701 /nfs/dbraw/zinc/69/17/01/849691701.db2.gz ZUIOUXJLZAIMAU-HNNXBMFYSA-N 1 0 377.583 3.702 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000178863369 849705069 /nfs/dbraw/zinc/70/50/69/849705069.db2.gz MCVNAPHBKUZAIG-UHFFFAOYSA-N 1 0 386.517 3.539 20 30 GHEDRO C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC000522535999 862049501 /nfs/dbraw/zinc/04/95/01/862049501.db2.gz PPEMWXBILVWESJ-SJORKVTESA-N 1 0 381.476 3.723 20 30 GHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccco1 ZINC000583373507 849739777 /nfs/dbraw/zinc/73/97/77/849739777.db2.gz FZFRFBUITJORKQ-FOIQADDNSA-N 1 0 391.475 3.505 20 30 GHEDRO N#CC1(CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCOCC1 ZINC000281936275 849841283 /nfs/dbraw/zinc/84/12/83/849841283.db2.gz ILYCHMXGPUFOTF-UHFFFAOYSA-N 1 0 381.442 3.928 20 30 GHEDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)ccc1OC(C)C ZINC000434881870 849868953 /nfs/dbraw/zinc/86/89/53/849868953.db2.gz YDSLVGLMODDDNY-YOEHRIQHSA-N 1 0 399.516 3.872 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)cc1 ZINC000435049232 850022088 /nfs/dbraw/zinc/02/20/88/850022088.db2.gz QDEMSFLUPQAYLA-JOCHJYFZSA-N 1 0 389.499 3.552 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)CCC2 ZINC000514669332 850144180 /nfs/dbraw/zinc/14/41/80/850144180.db2.gz CMINHEZOBFQLSU-FQEVSTJZSA-N 1 0 399.560 3.718 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000424072763 850187486 /nfs/dbraw/zinc/18/74/86/850187486.db2.gz ZCOXGSMXHUJSGW-CQSZACIVSA-N 1 0 382.411 3.712 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000424082100 850193893 /nfs/dbraw/zinc/19/38/93/850193893.db2.gz VTVAAPVLDINORI-GFCCVEGCSA-N 1 0 379.283 3.532 20 30 GHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000424130810 850257932 /nfs/dbraw/zinc/25/79/32/850257932.db2.gz VJNRUQDHZSUGGH-IEBWSBKVSA-N 1 0 383.565 3.743 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000424130807 850258283 /nfs/dbraw/zinc/25/82/83/850258283.db2.gz VJNRUQDHZSUGGH-HKUYNNGSSA-N 1 0 383.565 3.743 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000908666842 850258774 /nfs/dbraw/zinc/25/87/74/850258774.db2.gz IMTPWFDKVZJNGK-FQEVSTJZSA-N 1 0 393.535 3.595 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000504782265 850297643 /nfs/dbraw/zinc/29/76/43/850297643.db2.gz MVZRGJLCLIUDDI-HXUWFJFHSA-N 1 0 383.442 3.674 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000505649382 850311350 /nfs/dbraw/zinc/31/13/50/850311350.db2.gz YFPKCGYUZXKFHZ-NRFANRHFSA-N 1 0 391.515 3.525 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000424240061 850328122 /nfs/dbraw/zinc/32/81/22/850328122.db2.gz HZABFALGGQISIY-SJLPKXTDSA-N 1 0 375.586 3.733 20 30 GHEDRO C=CC[C@H]1N(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CCCC1(C)C ZINC000435295799 850339741 /nfs/dbraw/zinc/33/97/41/850339741.db2.gz CKWVWSMGMGTOIG-RTBURBONSA-N 1 0 399.535 3.604 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424317603 850358325 /nfs/dbraw/zinc/35/83/25/850358325.db2.gz CBWUWLLZIBOVGA-TUKIKUTGSA-N 1 0 377.510 3.541 20 30 GHEDRO N#Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000017909272 850392079 /nfs/dbraw/zinc/39/20/79/850392079.db2.gz XJTQLTLBAZCMEU-HXUWFJFHSA-N 1 0 383.879 3.544 20 30 GHEDRO O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)Nc1cccc(F)c1 ZINC000439820232 850456095 /nfs/dbraw/zinc/45/60/95/850456095.db2.gz SKAWIYHVSMLJSP-GOSISDBHSA-N 1 0 383.442 3.850 20 30 GHEDRO C=CCOc1ccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435396502 850478653 /nfs/dbraw/zinc/47/86/53/850478653.db2.gz ZFYIANMMBDRTJT-OAQYLSRUSA-N 1 0 381.520 3.799 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)ccc1OC ZINC000425371458 850478708 /nfs/dbraw/zinc/47/87/08/850478708.db2.gz LNGJYUCESBRFGV-QFIPXVFZSA-N 1 0 389.536 3.698 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000504982548 850488663 /nfs/dbraw/zinc/48/86/63/850488663.db2.gz HDHJQCFEIKZLHE-UHFFFAOYSA-N 1 0 389.393 3.929 20 30 GHEDRO C=CCOc1ccc(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435422089 850501932 /nfs/dbraw/zinc/50/19/32/850501932.db2.gz MOGUKCJYNVKCRO-HXUWFJFHSA-N 1 0 399.560 3.861 20 30 GHEDRO N#CCCC1CC[NH+](CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000514934064 850504790 /nfs/dbraw/zinc/50/47/90/850504790.db2.gz BYEFNLFZDPEXRC-UHFFFAOYSA-N 1 0 395.503 3.628 20 30 GHEDRO C=CCc1cc(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc(OC)c1O ZINC000435426506 850508483 /nfs/dbraw/zinc/50/84/83/850508483.db2.gz IOECYPFDVQFWEP-INIZCTEOSA-N 1 0 387.549 3.506 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000180429309 862136895 /nfs/dbraw/zinc/13/68/95/862136895.db2.gz HXTLDYPIIVTTQG-KRWDZBQOSA-N 1 0 380.448 3.809 20 30 GHEDRO C=CCCCC[NH2+]C12CC(C(=O)Nc3ncc(C)cc3Br)(C1)C2 ZINC001280128891 850524803 /nfs/dbraw/zinc/52/48/03/850524803.db2.gz PMYVCXWLKCBTRH-UHFFFAOYSA-N 1 0 378.314 3.960 20 30 GHEDRO C=CCC1(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCOCC1 ZINC000424591888 850570619 /nfs/dbraw/zinc/57/06/19/850570619.db2.gz AUIVGTJWGWDCHU-UHFFFAOYSA-N 1 0 383.536 3.530 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H]3CCc4ccc(C#N)cc43)C2)c1 ZINC000515020731 850581116 /nfs/dbraw/zinc/58/11/16/850581116.db2.gz OMNXIDOIPPZOEN-SBUREZEXSA-N 1 0 377.488 3.679 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1C#N ZINC000435561779 850646026 /nfs/dbraw/zinc/64/60/26/850646026.db2.gz YHOWYXSXXUSUME-FQEVSTJZSA-N 1 0 380.492 3.640 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000909257524 850665176 /nfs/dbraw/zinc/66/51/76/850665176.db2.gz XAVZJXJGCMXPOG-UHFFFAOYSA-N 1 0 380.540 3.679 20 30 GHEDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174679442 850681783 /nfs/dbraw/zinc/68/17/83/850681783.db2.gz KYAFDUSCJOZLDY-LJQANCHMSA-N 1 0 382.895 3.751 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000519147838 850692708 /nfs/dbraw/zinc/69/27/08/850692708.db2.gz XFUSXIAURWIXGS-NRFANRHFSA-N 1 0 381.545 3.991 20 30 GHEDRO N#CC1CCC(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000515120395 850699017 /nfs/dbraw/zinc/69/90/17/850699017.db2.gz JOWAEIUKUZAXOT-UHFFFAOYSA-N 1 0 386.565 3.729 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000505258138 850764689 /nfs/dbraw/zinc/76/46/89/850764689.db2.gz RFIZRCNRKBQVEM-HXUWFJFHSA-N 1 0 397.588 3.512 20 30 GHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000435747347 850812501 /nfs/dbraw/zinc/81/25/01/850812501.db2.gz HCMWYNGVKQGIDC-RHSMWYFYSA-N 1 0 384.314 3.927 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000435748847 850813480 /nfs/dbraw/zinc/81/34/80/850813480.db2.gz PZEARENYPMIDIR-YOEHRIQHSA-N 1 0 382.298 3.681 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000435747349 850814022 /nfs/dbraw/zinc/81/40/22/850814022.db2.gz HCMWYNGVKQGIDC-YOEHRIQHSA-N 1 0 384.314 3.927 20 30 GHEDRO C#CCCCc1nnc(N2CC[C@H](C[NH+](CC)CC)C2)n1Cc1cccs1 ZINC000909918484 850842569 /nfs/dbraw/zinc/84/25/69/850842569.db2.gz GSRZQRBCVWJZMK-GOSISDBHSA-N 1 0 385.581 3.512 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@@H+]1C ZINC000437995227 850886899 /nfs/dbraw/zinc/88/68/99/850886899.db2.gz ISHFPHABAILUGI-HNAYVOBHSA-N 1 0 396.466 3.881 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000513863378 850942606 /nfs/dbraw/zinc/94/26/06/850942606.db2.gz HMSTYJFEOMELRH-SFHVURJKSA-N 1 0 382.464 3.817 20 30 GHEDRO C=CCOc1c(Br)cc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000261930240 851026636 /nfs/dbraw/zinc/02/66/36/851026636.db2.gz CSQPWKRXPNAIJO-LJQANCHMSA-N 1 0 395.341 3.598 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000425437108 851098703 /nfs/dbraw/zinc/09/87/03/851098703.db2.gz ZBQMUEWOHOLXMA-FXAWDEMLSA-N 1 0 380.492 3.999 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000604474863 862217902 /nfs/dbraw/zinc/21/79/02/862217902.db2.gz UBUYUZFKOUQGKD-LRZVDXDASA-N 1 0 388.600 3.504 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3nccn3Cc3ccccc3)CC2)cc1 ZINC000514090942 851229461 /nfs/dbraw/zinc/22/94/61/851229461.db2.gz XIYGEOZKSRSUEB-UHFFFAOYSA-N 1 0 385.515 3.604 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(F)c1C#N ZINC000488223085 851287701 /nfs/dbraw/zinc/28/77/01/851287701.db2.gz ZEIRWIRTKBMMMP-UHFFFAOYSA-N 1 0 385.512 3.796 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000162976428 862232364 /nfs/dbraw/zinc/23/23/64/862232364.db2.gz BADLUVKEKMQBOA-GDZNZVCISA-N 1 0 381.501 3.590 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000425501401 851382575 /nfs/dbraw/zinc/38/25/75/851382575.db2.gz FQGOJVOOOUGADL-JBYIUTFZSA-N 1 0 376.504 3.781 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccncc1Cl ZINC000505455737 851389614 /nfs/dbraw/zinc/38/96/14/851389614.db2.gz PZFXCJSEPOCGKE-UHFFFAOYSA-N 1 0 377.945 3.833 20 30 GHEDRO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000514219149 851404092 /nfs/dbraw/zinc/40/40/92/851404092.db2.gz QOFJRDCLIPWRDB-UHFFFAOYSA-N 1 0 379.504 3.683 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520830 862241619 /nfs/dbraw/zinc/24/16/19/862241619.db2.gz UYMLNOAWYQERBQ-REWPJTCUSA-N 1 0 377.488 3.987 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425521670 851507394 /nfs/dbraw/zinc/50/73/94/851507394.db2.gz YUSBIYONPMIPJJ-RXVVDRJESA-N 1 0 376.504 3.783 20 30 GHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000510016805 851602861 /nfs/dbraw/zinc/60/28/61/851602861.db2.gz YRKMOEKXYWIXNH-HXUWFJFHSA-N 1 0 384.455 3.528 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CN(C)CC#Cc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000434749320 851617726 /nfs/dbraw/zinc/61/77/26/851617726.db2.gz XPGMFOZEHFVJTJ-SIKLNZKXSA-N 1 0 384.955 3.830 20 30 GHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329737341 862276076 /nfs/dbraw/zinc/27/60/76/862276076.db2.gz MBMBIYVGKZTSQQ-CUDHKJQZSA-N 1 0 383.540 3.588 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000604562204 862276973 /nfs/dbraw/zinc/27/69/73/862276973.db2.gz LQSIZLRLZXTNTF-QGZVFWFLSA-N 1 0 380.448 3.575 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2cccc(F)c2C#N)CC1 ZINC000428315308 862289498 /nfs/dbraw/zinc/28/94/98/862289498.db2.gz BPLDLADWKJKPDN-MRXNPFEDSA-N 1 0 384.474 3.829 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000488890889 851848084 /nfs/dbraw/zinc/84/80/84/851848084.db2.gz NSEPYHSPIXVAEC-UHFFFAOYSA-N 1 0 377.510 3.723 20 30 GHEDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccccc3C#Cc3ccccc3)n2)CC1 ZINC000488921609 851863580 /nfs/dbraw/zinc/86/35/80/851863580.db2.gz UHOLTXVYHLIYSY-UHFFFAOYSA-N 1 0 399.498 3.616 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C2CCOCC2)CC1)C(C)C ZINC000122046770 852093846 /nfs/dbraw/zinc/09/38/46/852093846.db2.gz HAOMOJFVZJANII-NRFANRHFSA-N 1 0 377.573 3.533 20 30 GHEDRO Cc1nn(C)c2cc(NC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc12 ZINC000329788817 862321888 /nfs/dbraw/zinc/32/18/88/862321888.db2.gz BNJZVELYTMWLJG-GOSISDBHSA-N 1 0 383.540 3.871 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000329791677 862323063 /nfs/dbraw/zinc/32/30/63/862323063.db2.gz DXFZSZYPDNRWKK-BVBHFADKSA-N 1 0 388.508 3.697 20 30 GHEDRO CC[C@H]([NH2+][C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O)c1ccc(C#N)cc1 ZINC000517675255 852229379 /nfs/dbraw/zinc/22/93/79/852229379.db2.gz IMHMPNBCPKGFFC-XUVXKRRUSA-N 1 0 399.535 3.566 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000505873298 852259727 /nfs/dbraw/zinc/25/97/27/852259727.db2.gz WSSQUCMHQFLJIM-UHFFFAOYSA-N 1 0 391.515 3.656 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000505873144 852260459 /nfs/dbraw/zinc/26/04/59/852260459.db2.gz VYENXDRXWMVLKQ-UHFFFAOYSA-N 1 0 391.515 3.656 20 30 GHEDRO C=CCN(C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H](C)COC ZINC000664693723 852371098 /nfs/dbraw/zinc/37/10/98/852371098.db2.gz GEIBJNULIRLWCH-WMLDXEAASA-N 1 0 387.446 3.541 20 30 GHEDRO CN(C(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1)C1(C#N)CCCCC1 ZINC000516292801 852378252 /nfs/dbraw/zinc/37/82/52/852378252.db2.gz ZVGVXOWSHGDOGN-UHFFFAOYSA-N 1 0 383.536 3.722 20 30 GHEDRO C[C@H](CCCC(F)(F)F)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000426084936 852631410 /nfs/dbraw/zinc/63/14/10/852631410.db2.gz KRYHXQWEMUVRCQ-OAHLLOKOSA-N 1 0 384.446 3.753 20 30 GHEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000481841591 862380276 /nfs/dbraw/zinc/38/02/76/862380276.db2.gz YCIPXPMFRIBJLP-VQIMIIECSA-N 1 0 394.357 3.756 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1OCCc2ccccc21 ZINC000507225990 852689594 /nfs/dbraw/zinc/68/95/94/852689594.db2.gz AVECWRWVAWPPNQ-VLIAUNLRSA-N 1 0 383.879 3.784 20 30 GHEDRO C=CC[C@@H]1N(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC=C)CCCC1(C)C ZINC000669032660 852765093 /nfs/dbraw/zinc/76/50/93/852765093.db2.gz QQOTWWNDWBGVNN-QYZOEREBSA-N 1 0 385.556 3.571 20 30 GHEDRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329877687 862391107 /nfs/dbraw/zinc/39/11/07/862391107.db2.gz JQERIEYWAPDAFQ-IYBDPMFKSA-N 1 0 375.538 3.645 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC000669033635 852784950 /nfs/dbraw/zinc/78/49/50/852784950.db2.gz VVCDQVFWFUQWBU-NJYVYQBISA-N 1 0 393.535 3.650 20 30 GHEDRO C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490213115 852819383 /nfs/dbraw/zinc/81/93/83/852819383.db2.gz QUFSSRIZFANOQD-GHTZIAJQSA-N 1 0 391.515 3.742 20 30 GHEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507452037 852925286 /nfs/dbraw/zinc/92/52/86/852925286.db2.gz VTBXMRSLMMUCDC-OXQOHEQNSA-N 1 0 392.459 3.573 20 30 GHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCC3([NH3+])CCCCC3)c2)c1 ZINC000414958281 852951963 /nfs/dbraw/zinc/95/19/63/852951963.db2.gz RPKPTCHISVDVSJ-UHFFFAOYSA-N 1 0 391.475 3.594 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490363745 852962627 /nfs/dbraw/zinc/96/26/27/852962627.db2.gz HKMQEUMSZLJODD-YLJYHZDGSA-N 1 0 392.503 3.989 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000507492521 852974542 /nfs/dbraw/zinc/97/45/42/852974542.db2.gz PFXOXQVJWUNMAD-IIBYNOLFSA-N 1 0 379.479 3.927 20 30 GHEDRO CC1CCC([NH+]2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)CC1 ZINC000490356079 852976091 /nfs/dbraw/zinc/97/60/91/852976091.db2.gz SLADVRUUJCGCJN-UHFFFAOYSA-N 1 0 377.536 3.655 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000516790930 853011119 /nfs/dbraw/zinc/01/11/19/853011119.db2.gz WHGDNQGLWKUTRZ-LJQANCHMSA-N 1 0 380.540 3.537 20 30 GHEDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000507570530 853040150 /nfs/dbraw/zinc/04/01/50/853040150.db2.gz SSPIGZHNJSXVOH-UHFFFAOYSA-N 1 0 377.488 3.599 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000180954964 862424270 /nfs/dbraw/zinc/42/42/70/862424270.db2.gz ANQVHUFUUADNHA-OAHLLOKOSA-N 1 0 397.441 3.963 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C1CC1 ZINC000518230459 853089546 /nfs/dbraw/zinc/08/95/46/853089546.db2.gz DPLBFUDGGMAKBD-JOCHJYFZSA-N 1 0 391.490 3.756 20 30 GHEDRO O=C(Nc1ccc(N2CCCC2=O)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329925170 862428501 /nfs/dbraw/zinc/42/85/01/862428501.db2.gz JPAHJTJLEJIHCW-UHFFFAOYSA-N 1 0 384.524 3.936 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 ZINC000490760183 853223742 /nfs/dbraw/zinc/22/37/42/853223742.db2.gz PYILUUBELVENGL-LJQANCHMSA-N 1 0 392.503 3.678 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000490758926 853223798 /nfs/dbraw/zinc/22/37/98/853223798.db2.gz KTFJEVZZCNRYCB-KRWDZBQOSA-N 1 0 395.429 3.648 20 30 GHEDRO O=C(CCC(=O)N1CCSc2ccccc21)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000329941936 862442003 /nfs/dbraw/zinc/44/20/03/862442003.db2.gz GYJFARHLFGBWAM-QGZVFWFLSA-N 1 0 387.549 3.879 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000329941655 862442355 /nfs/dbraw/zinc/44/23/55/862442355.db2.gz VDPBCPUJONEABH-WBVHZDCISA-N 1 0 389.544 3.551 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000437641321 853353368 /nfs/dbraw/zinc/35/33/68/853353368.db2.gz PNMFOVMJVUNNGY-FSSWDIPSSA-N 1 0 385.552 3.740 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000437643443 853356024 /nfs/dbraw/zinc/35/60/24/853356024.db2.gz ZUJLAYMPLBKDBL-QIJUGHKUSA-N 1 0 385.552 3.699 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000437639030 853370740 /nfs/dbraw/zinc/37/07/40/853370740.db2.gz HWONPPXXCHWADT-YADHBBJMSA-N 1 0 385.552 3.699 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCC#N)c2cc(F)ccc2F)c1 ZINC000491056956 853430190 /nfs/dbraw/zinc/43/01/90/853430190.db2.gz CTHCZUWVHIRPLC-IBGZPJMESA-N 1 0 378.444 3.741 20 30 GHEDRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329965905 862463712 /nfs/dbraw/zinc/46/37/12/862463712.db2.gz UOPIBDJZKXBSNE-YSVLISHTSA-N 1 0 381.904 3.706 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000437702812 853438671 /nfs/dbraw/zinc/43/86/71/853438671.db2.gz NQXFTXZXJFJBAZ-IRLDBZIGSA-N 1 0 385.552 3.843 20 30 GHEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491092980 853448773 /nfs/dbraw/zinc/44/87/73/853448773.db2.gz VEJUMGQENOVUKP-UHFFFAOYSA-N 1 0 397.482 3.874 20 30 GHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSCc1ccc(C#N)cc1 ZINC000843740404 853461481 /nfs/dbraw/zinc/46/14/81/853461481.db2.gz VNMNJRPOFQXYKB-RBBKRZOGSA-N 1 0 391.540 3.934 20 30 GHEDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000329968929 862467788 /nfs/dbraw/zinc/46/77/88/862467788.db2.gz WYUZHJDCTNSUPS-IPMKNSEASA-N 1 0 386.540 3.870 20 30 GHEDRO Cn1c2ccc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)cc2sc1=O ZINC000570885251 853488901 /nfs/dbraw/zinc/48/89/01/853488901.db2.gz AOJJHZOXUGDLOD-UHFFFAOYSA-N 1 0 397.475 3.654 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000586783667 853545311 /nfs/dbraw/zinc/54/53/11/853545311.db2.gz ZLWKSOPAMDORTO-UHFFFAOYSA-N 1 0 399.422 3.918 20 30 GHEDRO CN(C)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000586790020 853550374 /nfs/dbraw/zinc/55/03/74/853550374.db2.gz BADOPHCBGDTAKK-OAQYLSRUSA-N 1 0 384.474 3.698 20 30 GHEDRO C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc(C#N)c1 ZINC000586790998 853550512 /nfs/dbraw/zinc/55/05/12/853550512.db2.gz PASFRCSYRMWBNK-OXJNMPFZSA-N 1 0 383.442 3.893 20 30 GHEDRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc(C#N)c1 ZINC000586791000 853550999 /nfs/dbraw/zinc/55/09/99/853550999.db2.gz PASFRCSYRMWBNK-UZLBHIALSA-N 1 0 383.442 3.893 20 30 GHEDRO N#Cc1ccc(CN2CCN(C(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000054852259 853562031 /nfs/dbraw/zinc/56/20/31/853562031.db2.gz DCIFHFXSPZJUSS-UHFFFAOYSA-N 1 0 398.510 3.830 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2C#N)[n+]2ccccc2)c(C)[nH]1 ZINC000055013922 853629052 /nfs/dbraw/zinc/62/90/52/853629052.db2.gz ZBWSZILAJDTECY-UHFFFAOYSA-O 1 0 375.477 3.842 20 30 GHEDRO COc1ccccc1C(=O)C(C(=S)NCc1cccs1)[n+]1ccccc1 ZINC000044558032 853657256 /nfs/dbraw/zinc/65/72/56/853657256.db2.gz OWTPURRPLSSCAH-UHFFFAOYSA-O 1 0 383.518 3.773 20 30 GHEDRO COc1cccc(C(=O)C(C(=S)NCc2cccs2)[n+]2ccccc2)c1 ZINC000044558020 853657588 /nfs/dbraw/zinc/65/75/88/853657588.db2.gz LXVCRPOFABCGLN-UHFFFAOYSA-O 1 0 383.518 3.773 20 30 GHEDRO CC(C)(C)OCc1cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)no1 ZINC000185952657 862493526 /nfs/dbraw/zinc/49/35/26/862493526.db2.gz WJVAJCBLYBYDIT-UHFFFAOYSA-N 1 0 386.374 3.815 20 30 GHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)c1O ZINC000164277476 853800070 /nfs/dbraw/zinc/80/00/70/853800070.db2.gz FEXBLGGNLZSION-UHFFFAOYSA-N 1 0 398.503 3.734 20 30 GHEDRO COc1ccc(CCC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000520172948 853914721 /nfs/dbraw/zinc/91/47/21/853914721.db2.gz WFUWYVYTAYIBMM-UHFFFAOYSA-N 1 0 391.515 3.528 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1O ZINC000164370898 853916185 /nfs/dbraw/zinc/91/61/85/853916185.db2.gz IZSXIPGHEHBUKO-UHFFFAOYSA-N 1 0 396.487 3.836 20 30 GHEDRO COCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000520183718 853931645 /nfs/dbraw/zinc/93/16/45/853931645.db2.gz LWZGFVMCCYFNTR-LIRRHRJNSA-N 1 0 397.441 3.523 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000588235550 854226878 /nfs/dbraw/zinc/22/68/78/854226878.db2.gz HYDCECSJXBNFNV-QFBILLFUSA-N 1 0 391.475 3.836 20 30 GHEDRO C=C(Br)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000164818778 854313388 /nfs/dbraw/zinc/31/33/88/854313388.db2.gz VTTLPWYEZMOKAU-ZWKOTPCHSA-N 1 0 392.341 3.591 20 30 GHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)[NH+](C)C ZINC000588732546 854386869 /nfs/dbraw/zinc/38/68/69/854386869.db2.gz CURHWUGFRUHERH-LEOXJPRUSA-N 1 0 390.531 3.643 20 30 GHEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001211859048 854400920 /nfs/dbraw/zinc/40/09/20/854400920.db2.gz TWPYROCMXAJHBF-UHFFFAOYSA-N 1 0 395.544 3.527 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000572130992 854408377 /nfs/dbraw/zinc/40/83/77/854408377.db2.gz VVMQHUFPNKFSJI-QFBILLFUSA-N 1 0 378.501 3.925 20 30 GHEDRO C=CCOc1ccccc1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000113235487 854451072 /nfs/dbraw/zinc/45/10/72/854451072.db2.gz QPGCFPCLKZXCSL-LJQANCHMSA-N 1 0 394.515 3.881 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cn3c(n2)CCCC3)CC1 ZINC000328722133 854503759 /nfs/dbraw/zinc/50/37/59/854503759.db2.gz RQUUJGWUADENRO-INIZCTEOSA-N 1 0 399.514 3.566 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1coc(C2CCCCC2)n1 ZINC000328752202 854528671 /nfs/dbraw/zinc/52/86/71/854528671.db2.gz RJJIVTZPCBEWNA-RTBURBONSA-N 1 0 375.513 3.795 20 30 GHEDRO C#CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000156956391 854533809 /nfs/dbraw/zinc/53/38/09/854533809.db2.gz MVEUFDQMTJPCSB-DENIHFKCSA-N 1 0 376.500 3.824 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)c3coc(C4CCOCC4)n3)CC2)CC1 ZINC000328767929 854534003 /nfs/dbraw/zinc/53/40/03/854534003.db2.gz BMFIHJNYCOHIIP-UHFFFAOYSA-N 1 0 375.513 3.916 20 30 GHEDRO Cc1cnn(-c2ccc(C)cc2NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000328868619 854590574 /nfs/dbraw/zinc/59/05/74/854590574.db2.gz OVTPNGRCOXZRNT-IBGZPJMESA-N 1 0 381.524 3.698 20 30 GHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000588980449 854625632 /nfs/dbraw/zinc/62/56/32/854625632.db2.gz GDMMBHMMNADLNA-LJQANCHMSA-N 1 0 392.421 3.629 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000481990478 862586120 /nfs/dbraw/zinc/58/61/20/862586120.db2.gz LUNJNPIWJBNRLX-QFIPXVFZSA-N 1 0 395.528 3.655 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000328980280 854639285 /nfs/dbraw/zinc/63/92/85/854639285.db2.gz RHSPBGAHBFDCBA-KJMSJTNLSA-N 1 0 384.879 3.708 20 30 GHEDRO CCc1cc(N2CCC[C@H](/[NH+]=C\c3ccc(N(CC)CC)cc3O)C2)ncn1 ZINC000732913409 862587332 /nfs/dbraw/zinc/58/73/32/862587332.db2.gz URZKUKFGOUMSRM-CSMVZQPBSA-N 1 0 381.524 3.679 20 30 GHEDRO O=C(Nc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1)[C@@H]1CCCO1 ZINC000328986496 854641293 /nfs/dbraw/zinc/64/12/93/854641293.db2.gz ZZONSLQGGJHSNR-FQEVSTJZSA-N 1 0 385.508 3.544 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)Nc2c(C)cc(Br)cc2OC)CC1 ZINC000330462035 854672291 /nfs/dbraw/zinc/67/22/91/854672291.db2.gz YGBMCEMFAVBPMY-UHFFFAOYSA-N 1 0 384.318 3.966 20 30 GHEDRO CC(C)OCC[NH+]1CCC(Nc2cc(Br)c(C#N)cc2F)CC1 ZINC000589112198 854694288 /nfs/dbraw/zinc/69/42/88/854694288.db2.gz FTONPOABCBPEIH-UHFFFAOYSA-N 1 0 384.293 3.761 20 30 GHEDRO COc1cc(Br)cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000330588205 854705396 /nfs/dbraw/zinc/70/53/96/854705396.db2.gz XMEDMZYTOSOPDW-UHFFFAOYSA-N 1 0 384.318 3.904 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000330732473 854751161 /nfs/dbraw/zinc/75/11/61/854751161.db2.gz JUXKUZPZQGXVNX-LBPRGKRZSA-N 1 0 386.323 3.629 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CCSC1 ZINC000330814248 854756089 /nfs/dbraw/zinc/75/60/89/854756089.db2.gz QBRMSYBFARWDDO-SFHVURJKSA-N 1 0 387.496 3.905 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000589251337 854760794 /nfs/dbraw/zinc/76/07/94/854760794.db2.gz WKWQHPMURDCXKZ-QFIPXVFZSA-N 1 0 398.514 3.713 20 30 GHEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000589291191 854786857 /nfs/dbraw/zinc/78/68/57/854786857.db2.gz ULNFWKIQXWDLDE-GMAHTHKFSA-N 1 0 379.504 3.623 20 30 GHEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000331003337 854794077 /nfs/dbraw/zinc/79/40/77/854794077.db2.gz YCPNWYWKQOZCLU-CVEARBPZSA-N 1 0 375.513 3.531 20 30 GHEDRO Cc1csc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1Br ZINC000331110548 854807135 /nfs/dbraw/zinc/80/71/35/854807135.db2.gz BLRCHQFAALHARM-LLVKDONJSA-N 1 0 388.331 3.761 20 30 GHEDRO COC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC001168611797 854846569 /nfs/dbraw/zinc/84/65/69/854846569.db2.gz GFQISGIGIUWLFK-GFCCVEGCSA-N 1 0 377.300 3.900 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000106034527 855170596 /nfs/dbraw/zinc/17/05/96/855170596.db2.gz CMLXDNFDBAEXRS-UHFFFAOYSA-N 1 0 379.460 3.501 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000590260710 855326080 /nfs/dbraw/zinc/32/60/80/855326080.db2.gz TXBOGXAHXSMWQV-CRAIPNDOSA-N 1 0 379.426 3.898 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000055553719 855342398 /nfs/dbraw/zinc/34/23/98/855342398.db2.gz LPBRARZFKOBPPA-KRWDZBQOSA-N 1 0 381.476 3.685 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000025867537 855366112 /nfs/dbraw/zinc/36/61/12/855366112.db2.gz JUOUUOUSEQKIBK-OAQYLSRUSA-N 1 0 376.456 3.788 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)[C@@H]2C1 ZINC000590442038 855421223 /nfs/dbraw/zinc/42/12/23/855421223.db2.gz FVCMFZYQJAKYSD-AZUAARDMSA-N 1 0 377.513 3.627 20 30 GHEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H]1CC1CCCCC1 ZINC000330231032 862679083 /nfs/dbraw/zinc/67/90/83/862679083.db2.gz QWVGUGYLRRZSLE-NJYVYQBISA-N 1 0 377.573 3.713 20 30 GHEDRO COc1ccc([C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)[NH+]2CCCCC2)cc1 ZINC000590616179 855509813 /nfs/dbraw/zinc/50/98/13/855509813.db2.gz XIGIEPDQQGFFAM-REWPJTCUSA-N 1 0 381.520 3.812 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](c3cccs3)C3(CO)CCC3)C2=O)cc1 ZINC000590765336 855566501 /nfs/dbraw/zinc/56/65/01/855566501.db2.gz MHJREQUCJZHHIZ-QUCCMNQESA-N 1 0 395.528 3.609 20 30 GHEDRO CC1(C)CN(C(=O)c2cccc(C#N)n2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000590768486 855569081 /nfs/dbraw/zinc/56/90/81/855569081.db2.gz UDNJGAQYFHGBTO-JOCHJYFZSA-N 1 0 388.515 3.716 20 30 GHEDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000590803870 855595520 /nfs/dbraw/zinc/59/55/20/855595520.db2.gz NOOVDMATIIUIRM-INIZCTEOSA-N 1 0 379.464 3.694 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC4(C3)CC(F)(F)C4)sc2C1 ZINC000591021741 855743322 /nfs/dbraw/zinc/74/33/22/855743322.db2.gz VZXAJIWPFDHJBC-LBPRGKRZSA-N 1 0 379.476 3.804 20 30 GHEDRO CCc1nnc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c(C#N)c1CC ZINC000301879683 855774120 /nfs/dbraw/zinc/77/41/20/855774120.db2.gz JSNJKNXNIHJTSX-PMACEKPBSA-N 1 0 399.926 3.610 20 30 GHEDRO C[C@H]1C[NH+](CC2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C[C@H](C)O1 ZINC000302004046 855799172 /nfs/dbraw/zinc/79/91/72/855799172.db2.gz YSMMHQJYPATDSV-GJZGRUSLSA-N 1 0 381.442 3.903 20 30 GHEDRO Cc1cc(C)c2ncc(C#N)c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000302063615 855810860 /nfs/dbraw/zinc/81/08/60/855810860.db2.gz UZBNXCIXAJUCHS-OAQYLSRUSA-N 1 0 386.499 3.902 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCCNc3nc4ccccn4c3C#N)CC2)c1 ZINC000302116614 855818314 /nfs/dbraw/zinc/81/83/14/855818314.db2.gz WJMNBXSBZFQJBH-UHFFFAOYSA-N 1 0 388.519 3.529 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000302202536 855837215 /nfs/dbraw/zinc/83/72/15/855837215.db2.gz IJYTUSOLYBKLPE-UXHICEINSA-N 1 0 376.460 3.957 20 30 GHEDRO N#Cc1cc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1F ZINC000554427212 855900765 /nfs/dbraw/zinc/90/07/65/855900765.db2.gz CCSPMCHESNEMLY-QFIPXVFZSA-N 1 0 378.451 3.827 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190726335 856005566 /nfs/dbraw/zinc/00/55/66/856005566.db2.gz QUCYYNCCMVNXMJ-HXUWFJFHSA-N 1 0 399.560 3.737 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)CC1 ZINC000520686114 856018435 /nfs/dbraw/zinc/01/84/35/856018435.db2.gz PTMJSGRJYVZDNG-LJQANCHMSA-N 1 0 378.516 3.811 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000591482748 856045414 /nfs/dbraw/zinc/04/54/14/856045414.db2.gz CPKKFZGMBMWDPA-UHFFFAOYSA-N 1 0 379.464 3.740 20 30 GHEDRO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1N(C)C ZINC000058124798 856174872 /nfs/dbraw/zinc/17/48/72/856174872.db2.gz JDQASMSHHUCGBY-UHFFFAOYSA-N 1 0 391.519 3.673 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C)(C#N)CC2)C[C@@H]1C(F)(F)F ZINC001168568412 856193054 /nfs/dbraw/zinc/19/30/54/856193054.db2.gz LHURAMWGMSDJBT-UONOGXRCSA-N 1 0 375.435 3.942 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482167715 862768068 /nfs/dbraw/zinc/76/80/68/862768068.db2.gz WWGVOHLGWNKXAU-OAQYLSRUSA-N 1 0 389.503 3.854 20 30 GHEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000109093347 856227633 /nfs/dbraw/zinc/22/76/33/856227633.db2.gz UBPMXIFWSKMZMT-HXUWFJFHSA-N 1 0 379.460 3.741 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000591763683 856232045 /nfs/dbraw/zinc/23/20/45/856232045.db2.gz BEGGGUIKXSLPFO-SFHVURJKSA-N 1 0 384.277 3.926 20 30 GHEDRO N#Cc1ccc(N2CC[C@@H](N3CC[C@H](C(F)(F)F)C4(CCC4)C3)C2=O)cc1 ZINC000554847748 856238404 /nfs/dbraw/zinc/23/84/04/856238404.db2.gz DPBVGSVSTJCBME-SJORKVTESA-N 1 0 377.410 3.718 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(OC)c1 ZINC000591810754 856350061 /nfs/dbraw/zinc/35/00/61/856350061.db2.gz JBMGNPMBMYRUNG-QPPBQGQZSA-N 1 0 397.515 3.627 20 30 GHEDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000172182898 856365480 /nfs/dbraw/zinc/36/54/80/856365480.db2.gz BIJORCSHISNSDL-UZLBHIALSA-N 1 0 393.487 3.812 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000485349643 856375350 /nfs/dbraw/zinc/37/53/50/856375350.db2.gz RLLJZPLCDRTBBM-INIZCTEOSA-N 1 0 384.446 3.937 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000109851000 856382997 /nfs/dbraw/zinc/38/29/97/856382997.db2.gz SNJBHTOTTHVIHZ-QGZVFWFLSA-N 1 0 395.528 3.822 20 30 GHEDRO N#CCc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000591900295 856412415 /nfs/dbraw/zinc/41/24/15/856412415.db2.gz BXXVIFCREBFPQI-UHFFFAOYSA-N 1 0 376.504 3.738 20 30 GHEDRO C=CCOc1ccccc1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000237236518 856449980 /nfs/dbraw/zinc/44/99/80/856449980.db2.gz UEGWBMUTZHDSAA-UHFFFAOYSA-N 1 0 385.939 3.946 20 30 GHEDRO C=CCN(C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)[C@@H](C)COC ZINC000665228696 856455009 /nfs/dbraw/zinc/45/50/09/856455009.db2.gz DXAQYFCSDPPYII-INIZCTEOSA-N 1 0 394.947 3.537 20 30 GHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508904167 856466455 /nfs/dbraw/zinc/46/64/55/856466455.db2.gz RUYXMLLSNLBWRI-KRWDZBQOSA-N 1 0 387.503 3.521 20 30 GHEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000573835923 856478808 /nfs/dbraw/zinc/47/88/08/856478808.db2.gz ZENWARNZBHUVNT-FIXSFTCYSA-N 1 0 394.515 3.558 20 30 GHEDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000554890063 856485716 /nfs/dbraw/zinc/48/57/16/856485716.db2.gz SAXBZWPKWIFYMO-HXUWFJFHSA-N 1 0 391.515 3.875 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000895132403 856554238 /nfs/dbraw/zinc/55/42/38/856554238.db2.gz SQRGHFSINDUBAM-KVEDYDLGSA-N 1 0 380.536 3.669 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CCC[N@H+](Cc4ccccc4)CC3)n2C2CC2)cc1 ZINC000573857917 856573458 /nfs/dbraw/zinc/57/34/58/856573458.db2.gz LFDDPSBBRJARAB-UHFFFAOYSA-N 1 0 398.514 3.864 20 30 GHEDRO N#Cc1cccc(OCC[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)c1 ZINC000592144413 856696144 /nfs/dbraw/zinc/69/61/44/856696144.db2.gz COFYLGUQHKQXRZ-SFHVURJKSA-N 1 0 380.366 3.549 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)cc1 ZINC000592145499 856697181 /nfs/dbraw/zinc/69/71/81/856697181.db2.gz SVXWXFLKLXHVQW-GOSISDBHSA-N 1 0 380.366 3.549 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC000592277421 856732899 /nfs/dbraw/zinc/73/28/99/856732899.db2.gz RUOCBBZMWZGGSW-UHFFFAOYSA-N 1 0 383.374 3.546 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000592301971 856771912 /nfs/dbraw/zinc/77/19/12/856771912.db2.gz MEFYEMPUIPIZHB-UHFFFAOYSA-N 1 0 380.330 3.631 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000173279791 856830162 /nfs/dbraw/zinc/83/01/62/856830162.db2.gz FWTZQFMCZODMBI-HXUWFJFHSA-N 1 0 393.487 3.725 20 30 GHEDRO N#Cc1cccc(OC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)c1 ZINC000111518407 856941969 /nfs/dbraw/zinc/94/19/69/856941969.db2.gz AUUFROWQFSKPDD-UHFFFAOYSA-N 1 0 398.551 3.767 20 30 GHEDRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Cc1cccs1 ZINC000173631650 857038981 /nfs/dbraw/zinc/03/89/81/857038981.db2.gz MXFBTLVKFIJXJS-SFHVURJKSA-N 1 0 396.560 3.716 20 30 GHEDRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944972 857052039 /nfs/dbraw/zinc/05/20/39/857052039.db2.gz JEUGVABDZSOJFC-HKUYNNGSSA-N 1 0 397.544 3.547 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245665122 857071560 /nfs/dbraw/zinc/07/15/60/857071560.db2.gz QUOAQUXPHJBFGQ-YADHBBJMSA-N 1 0 376.504 3.925 20 30 GHEDRO C#CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000906451475 857101551 /nfs/dbraw/zinc/10/15/51/857101551.db2.gz FKFBKSXZZJIZME-UHFFFAOYSA-N 1 0 395.117 3.865 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](OC)C(F)(F)F)cc1OC ZINC000733330344 862872047 /nfs/dbraw/zinc/87/20/47/862872047.db2.gz UMQALWYPYYTMGQ-ZDUSSCGKSA-N 1 0 398.219 3.689 20 30 GHEDRO COCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000112355455 857125586 /nfs/dbraw/zinc/12/55/86/857125586.db2.gz MWBHPOJWXQCFEM-UHFFFAOYSA-N 1 0 375.538 3.576 20 30 GHEDRO CC(C)C[C@H]([NH3+])c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000592352795 857163414 /nfs/dbraw/zinc/16/34/14/857163414.db2.gz PHJSUFNSIOLKHG-AWEZNQCLSA-N 1 0 396.451 3.619 20 30 GHEDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000173843257 857167547 /nfs/dbraw/zinc/16/75/47/857167547.db2.gz ZXZMYOGCQYIDHN-KRWDZBQOSA-N 1 0 377.488 3.912 20 30 GHEDRO CC(=O)N1CCC[C@@H](C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)C1 ZINC000281182950 862881059 /nfs/dbraw/zinc/88/10/59/862881059.db2.gz QSQCTKGOESLXRB-NRFANRHFSA-N 1 0 378.520 3.620 20 30 GHEDRO CSCc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000174033617 857200964 /nfs/dbraw/zinc/20/09/64/857200964.db2.gz NOHQUJJVKWKWKZ-UHFFFAOYSA-N 1 0 397.519 3.908 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4c(cccc4F)[nH]3)CC2)c1 ZINC000593884550 862889448 /nfs/dbraw/zinc/88/94/48/862889448.db2.gz YRNPHXKEZJTYGZ-UHFFFAOYSA-N 1 0 376.435 3.573 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+]C2(C3CCC3)CC2)c1C#N ZINC000593081760 857317185 /nfs/dbraw/zinc/31/71/85/857317185.db2.gz QURPCPLNNYFTGL-UHFFFAOYSA-N 1 0 376.504 3.886 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000906792234 857318932 /nfs/dbraw/zinc/31/89/32/857318932.db2.gz JISJBYWMIPMUJJ-XMSQKQJNSA-N 1 0 381.545 3.978 20 30 GHEDRO N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000921962085 857328805 /nfs/dbraw/zinc/32/88/05/857328805.db2.gz WCEJRQMHVOVWFI-NFBKMPQASA-N 1 0 388.515 3.682 20 30 GHEDRO CC(C)(C#N)c1ccc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000593071080 857335045 /nfs/dbraw/zinc/33/50/45/857335045.db2.gz XXKIECOCSRPYPG-BJKOFHAPSA-N 1 0 389.543 3.963 20 30 GHEDRO CNC(=O)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000592401566 857375619 /nfs/dbraw/zinc/37/56/19/857375619.db2.gz YSHWCJZOWTUROJ-KBXCAEBGSA-N 1 0 389.421 3.833 20 30 GHEDRO CCC1CCC(N(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C2CC2)CC1 ZINC000330325571 862907399 /nfs/dbraw/zinc/90/73/99/862907399.db2.gz UREDYJSWXIYLAQ-KPZFLHEBSA-N 1 0 377.573 3.711 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)CCOCC1 ZINC000499552182 857408826 /nfs/dbraw/zinc/40/88/26/857408826.db2.gz KAMPMBILJVXXSU-IBGZPJMESA-N 1 0 395.503 3.728 20 30 GHEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000113324910 857428667 /nfs/dbraw/zinc/42/86/67/857428667.db2.gz NURNSAMUCCJZIG-QFIPXVFZSA-N 1 0 391.494 3.995 20 30 GHEDRO C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000113351408 857453648 /nfs/dbraw/zinc/45/36/48/857453648.db2.gz MOXQQTMPSDIENY-MRXNPFEDSA-N 1 0 388.475 3.805 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466628713 862919666 /nfs/dbraw/zinc/91/96/66/862919666.db2.gz RKULXCFGZPSYSE-IRXDYDNUSA-N 1 0 387.528 3.642 20 30 GHEDRO CCN(CC(=O)Nc1sccc1C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000249931063 857612094 /nfs/dbraw/zinc/61/20/94/857612094.db2.gz DSAWRTOFZAJGCF-VQIMIIECSA-N 1 0 382.533 3.716 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(C#N)c(F)c3)c(C)c2)CC1 ZINC000521122432 857621067 /nfs/dbraw/zinc/62/10/67/857621067.db2.gz OEGPENOKYBCFPO-UHFFFAOYSA-N 1 0 381.455 3.792 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]CCOc3ccc(C#N)cc3)CCN2C2CC2)c1 ZINC000574416072 857793696 /nfs/dbraw/zinc/79/36/96/857793696.db2.gz IEUBPQHPPIGCMV-PKTZIBPZSA-N 1 0 377.488 3.513 20 30 GHEDRO CC(C)[NH2+]C1(CO)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000593999294 857822847 /nfs/dbraw/zinc/82/28/47/857822847.db2.gz HUUXUBLDBMLQND-UHFFFAOYSA-N 1 0 391.559 3.711 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC ZINC000907932275 857836704 /nfs/dbraw/zinc/83/67/04/857836704.db2.gz IWAHLCILTQVZRT-UHFFFAOYSA-N 1 0 392.450 3.558 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000499636309 857966475 /nfs/dbraw/zinc/96/64/75/857966475.db2.gz MTQXLXJZRJDXCO-IBGZPJMESA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000569514272 857991484 /nfs/dbraw/zinc/99/14/84/857991484.db2.gz YUSXENCGWREYQK-LLVKDONJSA-N 1 0 397.285 3.730 20 30 GHEDRO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330333232 862974116 /nfs/dbraw/zinc/97/41/16/862974116.db2.gz PPZUJPLHLDYVET-QFHJOOASSA-N 1 0 379.570 3.696 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000521471191 858026790 /nfs/dbraw/zinc/02/67/90/858026790.db2.gz PPDXEPFPNWZTTL-GOSISDBHSA-N 1 0 381.495 3.970 20 30 GHEDRO C=CCN1CC[C@H]([NH+]2CCC(c3ccc(Br)c(C)c3)CC2)C1=O ZINC000499646994 858036735 /nfs/dbraw/zinc/03/67/35/858036735.db2.gz OVFBVHOCAYBFAG-SFHVURJKSA-N 1 0 377.326 3.724 20 30 GHEDRO CC[NH+]=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CC[C@]2(CCOC2)C1 ZINC000157978482 858084267 /nfs/dbraw/zinc/08/42/67/858084267.db2.gz NWLXECIALFRIAZ-QFIPXVFZSA-N 1 0 398.482 3.591 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)CC1 ZINC000521570284 858123862 /nfs/dbraw/zinc/12/38/62/858123862.db2.gz BEWRXGCOTIUIFT-GOSISDBHSA-N 1 0 379.504 3.992 20 30 GHEDRO CCOc1cc(Br)c(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1OCC ZINC000594431884 858175604 /nfs/dbraw/zinc/17/56/04/858175604.db2.gz ROMUQPMBJOLLRS-ZDUSSCGKSA-N 1 0 398.301 3.596 20 30 GHEDRO COc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](c1ccccc1)C2 ZINC000594432515 858176278 /nfs/dbraw/zinc/17/62/78/858176278.db2.gz BYFFAWXLKUVPQT-VXKWHMMOSA-N 1 0 377.488 3.732 20 30 GHEDRO N#CC1CCC(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000442868947 858186198 /nfs/dbraw/zinc/18/61/98/858186198.db2.gz OSRVUYWVEVSPRJ-ZUEPYMLJSA-N 1 0 397.338 3.587 20 30 GHEDRO Cc1ncsc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000066564348 858187599 /nfs/dbraw/zinc/18/75/99/858187599.db2.gz FLYKUAQAPHFYMS-LBPRGKRZSA-N 1 0 388.562 3.970 20 30 GHEDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000594520613 858208502 /nfs/dbraw/zinc/20/85/02/858208502.db2.gz LZSCEQLGCDOGTP-QHCPKHFHSA-N 1 0 382.504 3.588 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000466097517 858214565 /nfs/dbraw/zinc/21/45/65/858214565.db2.gz HHHORDLPHOAZJD-VXKWHMMOSA-N 1 0 380.536 3.744 20 30 GHEDRO N#Cc1ccc(OCC[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 ZINC000059258567 858261729 /nfs/dbraw/zinc/26/17/29/858261729.db2.gz HBNNCXXRUARRTO-UHFFFAOYSA-N 1 0 399.878 3.647 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccccc1 ZINC000249094522 863003550 /nfs/dbraw/zinc/00/35/50/863003550.db2.gz VGRQDQOPMMSXEL-MAUKXSAKSA-N 1 0 386.402 3.727 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000594924670 858305937 /nfs/dbraw/zinc/30/59/37/858305937.db2.gz KODHQFLNLRHROS-QGZVFWFLSA-N 1 0 389.499 3.750 20 30 GHEDRO CO[C@@](C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)COCc1ccccc1 ZINC000594974935 858336030 /nfs/dbraw/zinc/33/60/30/858336030.db2.gz OELNGKLIIPRXDF-DEOSSOPVSA-N 1 0 393.531 3.739 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)cc2)CC1 ZINC000594942616 858341727 /nfs/dbraw/zinc/34/17/27/858341727.db2.gz KJJQXDGVXBHGOB-HXUWFJFHSA-N 1 0 387.462 3.744 20 30 GHEDRO CC(C)[C@@H](O)[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000594990565 858359718 /nfs/dbraw/zinc/35/97/18/858359718.db2.gz SRWXGFJOJKNJQY-DNQXCXABSA-N 1 0 377.532 3.870 20 30 GHEDRO CC(C)(C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@]1(O)CCCOC1 ZINC000594997352 858361570 /nfs/dbraw/zinc/36/15/70/858361570.db2.gz WCAKVFNZRZWTLX-DEOSSOPVSA-N 1 0 394.515 3.795 20 30 GHEDRO C=CCCSCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000595060599 858367520 /nfs/dbraw/zinc/36/75/20/858367520.db2.gz WKIWUQRCQURGIX-CQSZACIVSA-N 1 0 390.368 3.567 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595234165 858448270 /nfs/dbraw/zinc/44/82/70/858448270.db2.gz FYYWCYHHAURTEW-OAQYLSRUSA-N 1 0 378.476 3.663 20 30 GHEDRO C[C@H]1CCCN(Cc2csc(NC(=O)NCc3ccc(CC#N)cc3)n2)C1 ZINC000521999489 858522857 /nfs/dbraw/zinc/52/28/57/858522857.db2.gz WLHQRJDWLHAGNR-HNNXBMFYSA-N 1 0 383.521 3.763 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@](C)(C#N)C2)cc1 ZINC000595444951 858534707 /nfs/dbraw/zinc/53/47/07/858534707.db2.gz IEKBOOABRKQYGF-HSZRJFAPSA-N 1 0 376.504 3.860 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](CC#N)C3)cc2)C1 ZINC000595458496 858537635 /nfs/dbraw/zinc/53/76/35/858537635.db2.gz RYOKQKQZQAJJKF-SVFBPWRDSA-N 1 0 382.552 4.000 20 30 GHEDRO CC(C)(C)OC(=O)CC1([NH2+]Cc2ccc(C#N)cc2OC(F)F)CCOCC1 ZINC000595540737 858560772 /nfs/dbraw/zinc/56/07/72/858560772.db2.gz QUSHJHQRSPYCCW-UHFFFAOYSA-N 1 0 396.434 3.530 20 30 GHEDRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)ccc2c1 ZINC000595613304 858631430 /nfs/dbraw/zinc/63/14/30/858631430.db2.gz AJDLSMWYRCMBCV-MSOLQXFVSA-N 1 0 379.504 3.821 20 30 GHEDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000595679090 858632407 /nfs/dbraw/zinc/63/24/07/858632407.db2.gz VELUABGGIQRZGL-RKVPGOIHSA-N 1 0 389.565 3.556 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000595641095 858634772 /nfs/dbraw/zinc/63/47/72/858634772.db2.gz AJNATSMJEXUWEK-UHFFFAOYSA-N 1 0 392.503 3.504 20 30 GHEDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1CCO ZINC000595696324 858650202 /nfs/dbraw/zinc/65/02/02/858650202.db2.gz KCAPMOOVRIAKSH-YJBOKZPZSA-N 1 0 389.565 3.700 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H](C)[C@H]2CCO)c1C#N ZINC000595695858 858650616 /nfs/dbraw/zinc/65/06/16/858650616.db2.gz INIKWDAEANFSSS-FOIQADDNSA-N 1 0 386.540 3.513 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c(C)c1C ZINC000595763780 858662380 /nfs/dbraw/zinc/66/23/80/858662380.db2.gz COMPTZVPOGEPJY-UHFFFAOYSA-N 1 0 383.517 3.779 20 30 GHEDRO Cn1cc(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595751664 858674616 /nfs/dbraw/zinc/67/46/16/858674616.db2.gz XYODLCFTJUENCJ-DEOSSOPVSA-N 1 0 399.542 3.708 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595791533 858677474 /nfs/dbraw/zinc/67/74/74/858677474.db2.gz VKPJOTZDDMEJNZ-SIKLNZKXSA-N 1 0 399.535 3.613 20 30 GHEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000595820377 858682688 /nfs/dbraw/zinc/68/26/88/858682688.db2.gz WMHLIFGLMZHUKK-MDMXATFFSA-N 1 0 386.515 3.692 20 30 GHEDRO Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000466199915 858698508 /nfs/dbraw/zinc/69/85/08/858698508.db2.gz OIRGXBPPHYQYNC-GOSISDBHSA-N 1 0 394.519 3.698 20 30 GHEDRO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595866914 858719332 /nfs/dbraw/zinc/71/93/32/858719332.db2.gz NCLIGRMJEXMPKB-KUHUBIRLSA-N 1 0 381.442 3.767 20 30 GHEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000615182417 858722973 /nfs/dbraw/zinc/72/29/73/858722973.db2.gz JBHXGXFYTQVZHD-AAEUAGOBSA-N 1 0 398.322 3.752 20 30 GHEDRO COC1(c2noc(CC3CC[NH+](Cc4ccc(C#N)s4)CC3)n2)CCCC1 ZINC000595917110 858731929 /nfs/dbraw/zinc/73/19/29/858731929.db2.gz QQUGXGOZGRAHDB-UHFFFAOYSA-N 1 0 386.521 3.873 20 30 GHEDRO CC(C)(NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000596084423 858777686 /nfs/dbraw/zinc/77/76/86/858777686.db2.gz ZXFKWHFGRNHILW-UHFFFAOYSA-N 1 0 376.504 3.757 20 30 GHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000482710565 858784822 /nfs/dbraw/zinc/78/48/22/858784822.db2.gz YEMVXCPYSNHVLA-IFMALSPDSA-N 1 0 399.441 3.709 20 30 GHEDRO CCOc1cccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593147766 858788289 /nfs/dbraw/zinc/78/82/89/858788289.db2.gz NUDAPVUYOSILEN-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000596187005 858801635 /nfs/dbraw/zinc/80/16/35/858801635.db2.gz PECDNQDGACKXIK-DYESRHJHSA-N 1 0 376.504 3.928 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCCn2c3ccccc3c3ccccc32)CC1 ZINC000543193198 858814536 /nfs/dbraw/zinc/81/45/36/858814536.db2.gz ZNBMCIROMJUTFO-UHFFFAOYSA-N 1 0 376.504 3.744 20 30 GHEDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000183784112 858818014 /nfs/dbraw/zinc/81/80/14/858818014.db2.gz NHRLQFTXHJPNTO-HNNXBMFYSA-N 1 0 391.389 3.960 20 30 GHEDRO N#Cc1cc2cccnc2nc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000596223726 858820549 /nfs/dbraw/zinc/82/05/49/858820549.db2.gz RORJLHJOWYCCCW-UHFFFAOYSA-N 1 0 375.398 3.719 20 30 GHEDRO N#Cc1ccc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C(F)(F)F)c1 ZINC000596422150 858892370 /nfs/dbraw/zinc/89/23/70/858892370.db2.gz BFGSHAGJNBMFKQ-KRWDZBQOSA-N 1 0 375.394 3.756 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000068122186 858897500 /nfs/dbraw/zinc/89/75/00/858897500.db2.gz UHANWDSQISTWBA-UHFFFAOYSA-N 1 0 394.906 3.826 20 30 GHEDRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000568143528 859009077 /nfs/dbraw/zinc/00/90/77/859009077.db2.gz WZMBYEUBCACSMU-UHFFFAOYSA-N 1 0 375.394 3.715 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CCc3c[nH]c4cccc(Br)c34)n2c1 ZINC000568143417 859010994 /nfs/dbraw/zinc/01/09/94/859010994.db2.gz QSEZTPCAMCRYNG-UHFFFAOYSA-N 1 0 394.276 3.782 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cc4c(cn3)CCCC4)CC2)c1 ZINC000593219092 859012653 /nfs/dbraw/zinc/01/26/53/859012653.db2.gz YMIDEBGELDYINW-UHFFFAOYSA-N 1 0 389.503 3.618 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCCc2ccc(C#N)cc2)cc1 ZINC000596740244 859036371 /nfs/dbraw/zinc/03/63/71/859036371.db2.gz DXBSUMMATKIMPR-UHFFFAOYSA-N 1 0 380.492 3.643 20 30 GHEDRO C=CCCSCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000596722310 859052947 /nfs/dbraw/zinc/05/29/47/859052947.db2.gz TXFNKXYUUZOZBJ-UYAOXDASSA-N 1 0 375.582 3.990 20 30 GHEDRO N#Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1OC(F)(F)F ZINC000596893350 859130732 /nfs/dbraw/zinc/13/07/32/859130732.db2.gz GAPWXPDPXDGNFS-AWEZNQCLSA-N 1 0 396.413 3.700 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000596909182 859163544 /nfs/dbraw/zinc/16/35/44/859163544.db2.gz DKHQWBRJJGVOSI-KRWDZBQOSA-N 1 0 393.491 3.987 20 30 GHEDRO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000483173572 859204299 /nfs/dbraw/zinc/20/42/99/859204299.db2.gz HOBQGCWBZRNNJF-REWPJTCUSA-N 1 0 376.500 3.766 20 30 GHEDRO COc1ccc(CN2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1F ZINC000596980376 859209584 /nfs/dbraw/zinc/20/95/84/859209584.db2.gz NUXLEGQGVCVWQH-UHFFFAOYSA-N 1 0 379.479 3.707 20 30 GHEDRO Cn1cc(CN2CCC[C@H]2c2ccccc2I)cc1C#N ZINC000483262853 859256693 /nfs/dbraw/zinc/25/66/93/859256693.db2.gz AUKAGJPJKYLTHI-KRWDZBQOSA-N 1 0 391.256 3.838 20 30 GHEDRO C=CCC1([NH2+][C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCOCC1 ZINC000895366535 859274979 /nfs/dbraw/zinc/27/49/79/859274979.db2.gz KZTMTTOFRNZJOC-SFHVURJKSA-N 1 0 394.556 3.650 20 30 GHEDRO COc1ccccc1[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593294294 859306108 /nfs/dbraw/zinc/30/61/08/859306108.db2.gz JWRCXLWCCWIXIB-KRWDZBQOSA-N 1 0 392.503 3.592 20 30 GHEDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000194875128 859325420 /nfs/dbraw/zinc/32/54/20/859325420.db2.gz HBWNLLAVOYHHNP-QHCPKHFHSA-N 1 0 395.503 3.649 20 30 GHEDRO Cc1cc2ncn(C[C@@H](O)C[N@H+](Cc3ccc(C#N)cc3)C(C)C)c2cc1C ZINC000069071026 859326942 /nfs/dbraw/zinc/32/69/42/859326942.db2.gz INOFWESTHDJTRL-NRFANRHFSA-N 1 0 376.504 3.796 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+][C@@]3(Cc4ccc(Cl)cc4)CCCOC3)n2c1 ZINC000597192456 859331847 /nfs/dbraw/zinc/33/18/47/859331847.db2.gz MQMANJPBGCDTEX-OAQYLSRUSA-N 1 0 380.879 3.741 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)ccc1F ZINC000160887803 859334764 /nfs/dbraw/zinc/33/47/64/859334764.db2.gz BNFPJDTVLWIVNX-UHFFFAOYSA-N 1 0 387.842 3.907 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001127760355 859429423 /nfs/dbraw/zinc/42/94/23/859429423.db2.gz YMFJLWSDEGZYID-VXKWHMMOSA-N 1 0 377.488 3.819 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc4cccc(O)c43)CC2)c1 ZINC000601660736 859430276 /nfs/dbraw/zinc/43/02/76/859430276.db2.gz VYAWCNNVEJALQQ-UHFFFAOYSA-N 1 0 385.467 3.811 20 30 GHEDRO CCCCCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764439537 859450087 /nfs/dbraw/zinc/45/00/87/859450087.db2.gz XDLTUCUKZADECG-LEWJYISDSA-N 1 0 380.621 3.795 20 30 GHEDRO CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170359997 881424462 /nfs/dbraw/zinc/42/44/62/881424462.db2.gz LWIFEWDNLKQKGG-DQBMGFJSSA-N 1 0 375.516 3.719 20 30 GHEDRO CC[C@@H](C)Oc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccn1 ZINC000593351187 859526326 /nfs/dbraw/zinc/52/63/26/859526326.db2.gz JZVVKQVJCVENNC-QGZVFWFLSA-N 1 0 392.503 3.525 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCSCc3ccccc3)CC2)c1 ZINC000593351175 859526662 /nfs/dbraw/zinc/52/66/62/859526662.db2.gz JONVIJKAWUIREY-UHFFFAOYSA-N 1 0 393.556 3.962 20 30 GHEDRO COc1ccc(C[C@H](C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593351733 859531707 /nfs/dbraw/zinc/53/17/07/859531707.db2.gz RXYNMXLKAGURJB-SFHVURJKSA-N 1 0 391.515 3.526 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 ZINC000593351873 859531738 /nfs/dbraw/zinc/53/17/38/859531738.db2.gz ULIIEBOZGORWPQ-YADHBBJMSA-N 1 0 377.463 3.582 20 30 GHEDRO Cc1nc(CC2CC2)sc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352408 859533675 /nfs/dbraw/zinc/53/36/75/859533675.db2.gz ZZCHWTMUDHVTKL-UHFFFAOYSA-N 1 0 394.544 3.670 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3SCCc4sccc43)CC2)c1 ZINC000593352431 859535048 /nfs/dbraw/zinc/53/50/48/859535048.db2.gz AHQSJGWXOIVIQX-FQEVSTJZSA-N 1 0 397.569 3.731 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCc3ccc(F)c(F)c3)CC2)c1 ZINC000593352823 859536949 /nfs/dbraw/zinc/53/69/49/859536949.db2.gz FBXVUPLIXFLJSE-UHFFFAOYSA-N 1 0 397.469 3.940 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3ccc(F)cc3Cl)CC2)c1 ZINC000593353303 859546730 /nfs/dbraw/zinc/54/67/30/859546730.db2.gz JOBVTTABRITWAK-UHFFFAOYSA-N 1 0 385.870 3.674 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(-n4cccc4)c3)CC2)c1 ZINC000593354150 859550902 /nfs/dbraw/zinc/55/09/02/859550902.db2.gz XIJOEWIBJAUBAH-UHFFFAOYSA-N 1 0 384.483 3.743 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(Br)c3)CC2)c1 ZINC000593354225 859552013 /nfs/dbraw/zinc/55/20/13/859552013.db2.gz YJOOYUAHRNGENT-UHFFFAOYSA-N 1 0 398.304 3.715 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)CC2)c1 ZINC000593354562 859554941 /nfs/dbraw/zinc/55/49/41/859554941.db2.gz SAHYHVYCMXFUQD-VQTJNVASSA-N 1 0 395.453 3.721 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCOc3ccc(F)cc3)CC2)c1 ZINC000593356671 859574320 /nfs/dbraw/zinc/57/43/20/859574320.db2.gz ZAZLDZNUYOHUEG-UHFFFAOYSA-N 1 0 395.478 3.637 20 30 GHEDRO C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(C#N)cc1 ZINC000483748344 859588193 /nfs/dbraw/zinc/58/81/93/859588193.db2.gz UJJAZOIDEJTDPD-KRWDZBQOSA-N 1 0 386.565 3.670 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001183044274 912212311 /nfs/dbraw/zinc/21/23/11/912212311.db2.gz GIDIUVMBIMVELF-XMMPIXPASA-N 1 0 399.538 3.997 20 30 GHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000499775039 859659924 /nfs/dbraw/zinc/65/99/24/859659924.db2.gz SXDPUUJJAQMYCJ-FQEVSTJZSA-N 1 0 386.927 3.623 20 30 GHEDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000597603185 859662485 /nfs/dbraw/zinc/66/24/85/859662485.db2.gz AGWHWMRTURAJRY-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000601943649 859668557 /nfs/dbraw/zinc/66/85/57/859668557.db2.gz YHZBJXFICNOZJO-BBRMVZONSA-N 1 0 383.521 3.537 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000611350131 859713605 /nfs/dbraw/zinc/71/36/05/859713605.db2.gz BUFNTJHCLLBLJJ-NHCUHLMSSA-N 1 0 383.536 3.689 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000611370465 859724393 /nfs/dbraw/zinc/72/43/93/859724393.db2.gz TWAUWYNDRMBALX-RKVPGOIHSA-N 1 0 379.464 3.856 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000611385764 859730917 /nfs/dbraw/zinc/73/09/17/859730917.db2.gz HMQUBZHFYKUKFB-GOSISDBHSA-N 1 0 391.475 3.695 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000611387019 859731674 /nfs/dbraw/zinc/73/16/74/859731674.db2.gz YLALMJLVMDHJOX-GJZGRUSLSA-N 1 0 378.501 3.866 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCCC(F)(F)C3)CC2)c1 ZINC000593404188 859746964 /nfs/dbraw/zinc/74/69/64/859746964.db2.gz XLQBRBRYBQSXDO-SFHVURJKSA-N 1 0 390.478 3.647 20 30 GHEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CCCC2 ZINC000895657008 859763989 /nfs/dbraw/zinc/76/39/89/859763989.db2.gz YWKXABXADIVLDB-IBGZPJMESA-N 1 0 376.460 3.780 20 30 GHEDRO Cn1cc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611518834 859791894 /nfs/dbraw/zinc/79/18/94/859791894.db2.gz VISXFGRVPXZVRR-HSZRJFAPSA-N 1 0 385.515 3.665 20 30 GHEDRO N#CC1(CC(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CCOCC1 ZINC000602177969 859836494 /nfs/dbraw/zinc/83/64/94/859836494.db2.gz RYGIOPNSSFHGGN-UHFFFAOYSA-N 1 0 395.547 3.602 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000597860074 859876648 /nfs/dbraw/zinc/87/66/48/859876648.db2.gz LBBXQJYKRGHDFB-HXUWFJFHSA-N 1 0 391.515 3.987 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000070690460 859910496 /nfs/dbraw/zinc/91/04/96/859910496.db2.gz CPPBWEFWJZYGSX-QXLXQBSBSA-N 1 0 386.517 3.754 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cccc(NC(=O)c4cccc(F)c4)c3)n2c1 ZINC000123381993 859939512 /nfs/dbraw/zinc/93/95/12/859939512.db2.gz OKUWAAXKMVQOEN-UHFFFAOYSA-N 1 0 399.429 3.887 20 30 GHEDRO Brc1ccc(N=NCc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000727263150 860019913 /nfs/dbraw/zinc/01/99/13/860019913.db2.gz OVBDWHFDFXIYKG-UHFFFAOYSA-N 1 0 389.297 3.765 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1OCC1CC1 ZINC000154230103 860025426 /nfs/dbraw/zinc/02/54/26/860025426.db2.gz UYLAZCJIEFXEIC-UHFFFAOYSA-N 1 0 377.488 3.551 20 30 GHEDRO CSCCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1cccc(C)c1 ZINC000131338484 860026661 /nfs/dbraw/zinc/02/66/61/860026661.db2.gz UZNCVHFKGXXGAJ-UHFFFAOYSA-O 1 0 397.948 3.966 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000474425328 860054061 /nfs/dbraw/zinc/05/40/61/860054061.db2.gz HQZSHDPELMPDLL-FQEVSTJZSA-N 1 0 376.504 3.855 20 30 GHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508928658 860066465 /nfs/dbraw/zinc/06/64/65/860066465.db2.gz AWJJAQPUWSRYBL-HXUWFJFHSA-N 1 0 397.567 3.828 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508928517 860066629 /nfs/dbraw/zinc/06/66/29/860066629.db2.gz AGBHMAOEHBJLKG-FQEVSTJZSA-N 1 0 397.567 3.828 20 30 GHEDRO CC(C)(NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccs1 ZINC000593511089 860068238 /nfs/dbraw/zinc/06/82/38/860068238.db2.gz GBLIGQWXVXFVIE-UHFFFAOYSA-N 1 0 382.533 3.819 20 30 GHEDRO C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000593512212 860080725 /nfs/dbraw/zinc/08/07/25/860080725.db2.gz MDDCSDTVOXKDCV-MBSDFSHPSA-N 1 0 388.515 3.925 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](CCC(N)=O)C3)c2)c1 ZINC000092660528 860099123 /nfs/dbraw/zinc/09/91/23/860099123.db2.gz MRJLYRYTFGDRDO-GOSISDBHSA-N 1 0 377.488 3.615 20 30 GHEDRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602552751 860105969 /nfs/dbraw/zinc/10/59/69/860105969.db2.gz AHLNLACXGCXCTR-DLBZAZTESA-N 1 0 378.314 3.832 20 30 GHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]C[C@H](C)CCC#N)c2)cc1 ZINC000602554262 860106114 /nfs/dbraw/zinc/10/61/14/860106114.db2.gz ZTAMZPNUSFVILJ-MRXNPFEDSA-N 1 0 387.505 3.525 20 30 GHEDRO C[C@@H](c1noc(C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1)c1ccc(Br)cc1 ZINC000904105188 860128922 /nfs/dbraw/zinc/12/89/22/860128922.db2.gz AVCDINRDHQGNNJ-AJOZBUNDSA-N 1 0 387.281 3.591 20 30 GHEDRO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593516925 860133734 /nfs/dbraw/zinc/13/37/34/860133734.db2.gz QGJQIUAMNJLZPC-FGZHOGPDSA-N 1 0 382.552 3.845 20 30 GHEDRO CC1(C)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@@H]21 ZINC000593517594 860145588 /nfs/dbraw/zinc/14/55/88/860145588.db2.gz STIQYAFOGQGMMJ-SFTDATJTSA-N 1 0 380.536 3.743 20 30 GHEDRO N#CC1CCC([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000602617453 860155246 /nfs/dbraw/zinc/15/52/46/860155246.db2.gz SIFGQSIXVXFQAS-UHFFFAOYSA-N 1 0 379.426 3.982 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2)nc1 ZINC000598222058 860167715 /nfs/dbraw/zinc/16/77/15/860167715.db2.gz ZNFVVBXLPDGNGU-LJQANCHMSA-N 1 0 390.487 3.882 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1 ZINC000499912231 860170760 /nfs/dbraw/zinc/17/07/60/860170760.db2.gz IKEPPRLSVOXJRS-SEVLPDGMSA-N 1 0 391.515 3.969 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001168544860 860201944 /nfs/dbraw/zinc/20/19/44/860201944.db2.gz MCMJAMKEQMONPU-RDJZCZTQSA-N 1 0 378.476 3.615 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000508949906 860228000 /nfs/dbraw/zinc/22/80/00/860228000.db2.gz IYMAFIWVHRCGBY-OAQYLSRUSA-N 1 0 388.519 3.627 20 30 GHEDRO N#CC1CCC([NH+]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000602720249 860230853 /nfs/dbraw/zinc/23/08/53/860230853.db2.gz FRUFUDCVUDNBSK-UHFFFAOYSA-N 1 0 380.414 3.937 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)c1ccccc1 ZINC000474545842 860329265 /nfs/dbraw/zinc/32/92/65/860329265.db2.gz UKAGVRDKRCEGBG-IBGZPJMESA-N 1 0 380.492 3.629 20 30 GHEDRO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602910366 860344544 /nfs/dbraw/zinc/34/45/44/860344544.db2.gz QMURVHROIPMTDM-UHFFFAOYSA-N 1 0 376.504 3.719 20 30 GHEDRO N#Cc1ccccc1NC1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000602900078 860351888 /nfs/dbraw/zinc/35/18/88/860351888.db2.gz LSEWLKVSBHIKFX-IBGZPJMESA-N 1 0 388.515 3.597 20 30 GHEDRO Cc1ccnc(N(C2CC[NH2+]CC2)C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001170397480 881530099 /nfs/dbraw/zinc/53/00/99/881530099.db2.gz DABFWEHFBBAEJO-UHFFFAOYSA-N 1 0 375.520 3.748 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(C(=O)Cc3ccsc3)CC2)CC1 ZINC001170398685 881532612 /nfs/dbraw/zinc/53/26/12/881532612.db2.gz TZNOLQKNPUQDDB-UHFFFAOYSA-N 1 0 393.556 3.839 20 30 GHEDRO Cc1nccn1-c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1F ZINC000552251174 860407838 /nfs/dbraw/zinc/40/78/38/860407838.db2.gz MUWXDKSKQKWORS-UHFFFAOYSA-N 1 0 389.478 3.950 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904412834 860416619 /nfs/dbraw/zinc/41/66/19/860416619.db2.gz ZXRJOFXGQRAWBF-QGZVFWFLSA-N 1 0 378.476 3.502 20 30 GHEDRO C=CCN1CC[C@@H]([N@H+](C)CCSc2ccnc3cc(Cl)ccc32)C1=O ZINC000499994458 860436931 /nfs/dbraw/zinc/43/69/31/860436931.db2.gz FZPHYMXRKRYVGU-QGZVFWFLSA-N 1 0 375.925 3.699 20 30 GHEDRO Cn1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000130742502 860453927 /nfs/dbraw/zinc/45/39/27/860453927.db2.gz YIJOOGJQNXXWQM-UHFFFAOYSA-N 1 0 388.471 3.752 20 30 GHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000509012224 860541125 /nfs/dbraw/zinc/54/11/25/860541125.db2.gz PFGCBAQCFGYMGE-GOSISDBHSA-N 1 0 392.551 3.791 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H](C/C=C\C)C1 ZINC000624979794 860586323 /nfs/dbraw/zinc/58/63/23/860586323.db2.gz NKQCRSLLXLRFPQ-VAMICUEPSA-N 1 0 385.556 3.573 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000624985260 860627414 /nfs/dbraw/zinc/62/74/14/860627414.db2.gz SWGIXLJVFJALOW-HLAWJBBLSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000509063129 860766711 /nfs/dbraw/zinc/76/67/11/860766711.db2.gz LBMCFYCAFAUYHP-OAQYLSRUSA-N 1 0 392.499 3.570 20 30 GHEDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001170410123 881577425 /nfs/dbraw/zinc/57/74/25/881577425.db2.gz DWBFJJXSLLJHQX-NRFANRHFSA-N 1 0 391.515 3.862 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593687586 860818962 /nfs/dbraw/zinc/81/89/62/860818962.db2.gz JNWBXHMWXPRUEB-SFHVURJKSA-N 1 0 376.504 3.530 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)CC1 ZINC000730067384 860858098 /nfs/dbraw/zinc/85/80/98/860858098.db2.gz XRAYUHJCKWCSMR-LJQANCHMSA-N 1 0 391.943 3.933 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC000173102050 860858079 /nfs/dbraw/zinc/85/80/79/860858079.db2.gz WOSPQXYDOGLEDR-UHFFFAOYSA-N 1 0 399.413 3.568 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3conc3Cc3ccccc3)CC2)c1 ZINC000593692076 860884395 /nfs/dbraw/zinc/88/43/95/860884395.db2.gz YNBZTUMBFIYTHD-UHFFFAOYSA-N 1 0 386.499 3.891 20 30 GHEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593702380 860927986 /nfs/dbraw/zinc/92/79/86/860927986.db2.gz LWPZYEOUSGCFMJ-LJQANCHMSA-N 1 0 390.531 3.838 20 30 GHEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1=O ZINC000329001654 860939606 /nfs/dbraw/zinc/93/96/06/860939606.db2.gz LHVCRRAUAUUPCM-XIRDDKMYSA-N 1 0 390.325 3.843 20 30 GHEDRO CC(C)N1C(=O)N[C@@H]2CN(CC(=O)N[C@@H](c3ccccc3)C3CCCC3)CC[C@@H]21 ZINC000329033132 860962944 /nfs/dbraw/zinc/96/29/44/860962944.db2.gz QIHLBDMAUJUHKU-URVUXULASA-N 1 0 398.551 3.955 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593718907 860976472 /nfs/dbraw/zinc/97/64/72/860976472.db2.gz AUZVJRGTUGOSIZ-KRWDZBQOSA-N 1 0 379.504 3.891 20 30 GHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000730257590 860977238 /nfs/dbraw/zinc/97/72/38/860977238.db2.gz MWCOEEUJCXFROJ-KRWDZBQOSA-N 1 0 376.497 3.618 20 30 GHEDRO C[C@H](NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)C(=O)N1CCCCC1 ZINC000329054903 860980220 /nfs/dbraw/zinc/98/02/20/860980220.db2.gz HWHDNQGHCRMGFG-WJMWBRGCSA-N 1 0 383.536 3.612 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)CCOCC1 ZINC000599260833 860990634 /nfs/dbraw/zinc/99/06/34/860990634.db2.gz KNXHUMOIYFAXIB-KRWDZBQOSA-N 1 0 385.533 3.547 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CCOCC1 ZINC000599263383 860994410 /nfs/dbraw/zinc/99/44/10/860994410.db2.gz GIMDMROXDOYBKB-ROUUACIJSA-N 1 0 393.325 3.657 20 30 GHEDRO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000593723657 860997235 /nfs/dbraw/zinc/99/72/35/860997235.db2.gz XRFLBKUAJLGMJZ-KRWDZBQOSA-N 1 0 376.504 3.832 20 30 GHEDRO COCc1ccccc1/C=C(\C)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000509098699 861034506 /nfs/dbraw/zinc/03/45/06/861034506.db2.gz VCXHVXYWBDKGCO-FJEUJEQTSA-N 1 0 387.483 3.582 20 30 GHEDRO CC1CC[NH+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000603689509 861044823 /nfs/dbraw/zinc/04/48/23/861044823.db2.gz NTHXVMVZHUBPDJ-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO CC(C)C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000481314136 861049483 /nfs/dbraw/zinc/04/94/83/861049483.db2.gz BKMNTETVRRPLOS-NRFANRHFSA-N 1 0 376.504 3.605 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCN2C(=O)CSc3ccccc32)C1 ZINC000329136814 861055756 /nfs/dbraw/zinc/05/57/56/861055756.db2.gz RDEHDODOPUWIDN-INIZCTEOSA-N 1 0 375.538 3.592 20 30 GHEDRO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000329149797 861066904 /nfs/dbraw/zinc/06/69/04/861066904.db2.gz QXXBPQOHNWWLEG-LEWJYISDSA-N 1 0 395.547 3.961 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCc2c(C)nn(C)c2C)cc1OC ZINC000623483394 861108359 /nfs/dbraw/zinc/10/83/59/861108359.db2.gz CVNZXJGFBPALIC-UHFFFAOYSA-N 1 0 377.916 3.986 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000599359196 861126136 /nfs/dbraw/zinc/12/61/36/861126136.db2.gz LDPXKVLOTLGXJP-SIKLNZKXSA-N 1 0 378.516 3.868 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000730503801 861139071 /nfs/dbraw/zinc/13/90/71/861139071.db2.gz RFRICGHVJCUANX-XMMPIXPASA-N 1 0 388.511 3.562 20 30 GHEDRO Cc1cc(C)c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)sc2n1 ZINC000603759626 861160145 /nfs/dbraw/zinc/16/01/45/861160145.db2.gz IFNAOSNVDOPFGS-UHFFFAOYSA-N 1 0 392.528 3.989 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1OC ZINC000623544896 861166019 /nfs/dbraw/zinc/16/60/19/861166019.db2.gz QGHAIXUZDKBSHE-AWEZNQCLSA-N 1 0 389.883 3.734 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000161695966 861170320 /nfs/dbraw/zinc/17/03/20/861170320.db2.gz SKWHKNONPDRZSO-UHFFFAOYSA-N 1 0 379.504 3.826 20 30 GHEDRO Cc1cc2ncc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c(C)n2n1 ZINC000329236201 861181328 /nfs/dbraw/zinc/18/13/28/861181328.db2.gz OBYORHSXBMSUAL-IHWFROFDSA-N 1 0 389.503 3.846 20 30 GHEDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](O)C12CCCC2 ZINC000330358846 863066524 /nfs/dbraw/zinc/06/65/24/863066524.db2.gz VKIGYTHNHODQJB-LEWJYISDSA-N 1 0 385.552 3.582 20 30 GHEDRO C#CCC1(C(=O)N2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)CCCCC1 ZINC000856650106 881623962 /nfs/dbraw/zinc/62/39/62/881623962.db2.gz LWWJKUPNWWPQJG-JOCHJYFZSA-N 1 0 397.563 3.875 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000499211228 881624197 /nfs/dbraw/zinc/62/41/97/881624197.db2.gz MPGHHFRRXJSGQR-IBGZPJMESA-N 1 0 375.561 3.530 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159940281 863194907 /nfs/dbraw/zinc/19/49/07/863194907.db2.gz BAAATGADINLITH-IAGOWNOFSA-N 1 0 395.532 3.583 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C[NH+](C)C ZINC000615175014 863354540 /nfs/dbraw/zinc/35/45/40/863354540.db2.gz CKXBDTAEAJMXHK-JTQLQIEISA-N 1 0 388.327 3.904 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000494399636 881674166 /nfs/dbraw/zinc/67/41/66/881674166.db2.gz UZYXZDUUYVLOHI-IAGOWNOFSA-N 1 0 387.936 3.967 20 30 GHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029810795 863642194 /nfs/dbraw/zinc/64/21/94/863642194.db2.gz DXFFUYYAEYORLQ-NRFANRHFSA-N 1 0 394.519 3.571 20 30 GHEDRO CCOc1ccc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1OCC ZINC000594030371 863787931 /nfs/dbraw/zinc/78/79/31/863787931.db2.gz PZNGLQUSYHZGTN-UHFFFAOYSA-N 1 0 393.487 3.963 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N(CCC#N)CC2CC2)CC1 ZINC000455937976 863989032 /nfs/dbraw/zinc/98/90/32/863989032.db2.gz FALOKBNVGXOVHA-UHFFFAOYSA-N 1 0 390.915 3.971 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000554321829 864104377 /nfs/dbraw/zinc/10/43/77/864104377.db2.gz VUZWVWAJCKPMHT-IBGZPJMESA-N 1 0 379.508 3.726 20 30 GHEDRO C=CC[C@@H](CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000184276160 864282688 /nfs/dbraw/zinc/28/26/88/864282688.db2.gz XOIYIAYTCFVWFE-INIZCTEOSA-N 1 0 378.314 3.785 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccncc1 ZINC000734653172 864370272 /nfs/dbraw/zinc/37/02/72/864370272.db2.gz BPGVHTVRMCISFV-VXKWHMMOSA-N 1 0 394.519 3.844 20 30 GHEDRO C[C@H]1CN(Cc2cccc(CNC(=O)C[C@H](CC#N)c3ccccc3)c2)CCO1 ZINC000475166903 864375994 /nfs/dbraw/zinc/37/59/94/864375994.db2.gz YALDEJNWEXTRKC-CVDCTZTESA-N 1 0 391.515 3.611 20 30 GHEDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCSC1 ZINC000480274009 864386003 /nfs/dbraw/zinc/38/60/03/864386003.db2.gz KXHVWTJVYPAZKG-NRFANRHFSA-N 1 0 399.491 3.657 20 30 GHEDRO C=CC[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000734667941 864393341 /nfs/dbraw/zinc/39/33/41/864393341.db2.gz VAJXSURQPGUNFY-IRLDBZIGSA-N 1 0 378.520 3.563 20 30 GHEDRO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867052 864599810 /nfs/dbraw/zinc/59/98/10/864599810.db2.gz UYSJQEHGFRNHIQ-MRXNPFEDSA-N 1 0 379.287 3.931 20 30 GHEDRO COc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2c2ccccc2Br)cc1OC ZINC000262467807 864665469 /nfs/dbraw/zinc/66/54/69/864665469.db2.gz UBHJBHNMPQEVEM-DZGCQCFKSA-N 1 0 390.281 3.749 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1Cl ZINC000826795782 864779733 /nfs/dbraw/zinc/77/97/33/864779733.db2.gz WYLVXJCFLUVXAE-QGZVFWFLSA-N 1 0 381.863 3.924 20 30 GHEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262475611 864838573 /nfs/dbraw/zinc/83/85/73/864838573.db2.gz PZKVPIBOIAFHLA-OAHLLOKOSA-N 1 0 385.562 3.585 20 30 GHEDRO C#CCC(C)(C)c1nc(-c2cc3c([nH]c2=O)CC[N@H+](Cc2ccccc2)C3)no1 ZINC000897256242 864984000 /nfs/dbraw/zinc/98/40/00/864984000.db2.gz CRFBFTILIFRURY-UHFFFAOYSA-N 1 0 388.471 3.696 20 30 GHEDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000237630752 881831617 /nfs/dbraw/zinc/83/16/17/881831617.db2.gz JXNWLGIZEZLUAU-UHFFFAOYSA-N 1 0 399.494 3.965 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC3(CCCC3)C2)c1C#N ZINC000173828163 865092999 /nfs/dbraw/zinc/09/29/99/865092999.db2.gz HQDZNSDWGPXLDO-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000480684317 865113846 /nfs/dbraw/zinc/11/38/46/865113846.db2.gz UHHYVYCFQIQLDP-FXAWDEMLSA-N 1 0 377.488 3.667 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000173859356 865123543 /nfs/dbraw/zinc/12/35/43/865123543.db2.gz AJIUBPRTEXNZRW-IAGOWNOFSA-N 1 0 379.460 3.710 20 30 GHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000554926698 865183456 /nfs/dbraw/zinc/18/34/56/865183456.db2.gz OTNHFIZROIVTNO-UHFFFAOYSA-N 1 0 395.551 3.540 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000121055107 881844194 /nfs/dbraw/zinc/84/41/94/881844194.db2.gz KPEKWDPUDAJIAV-KRWDZBQOSA-N 1 0 386.540 3.599 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000121055254 881844801 /nfs/dbraw/zinc/84/48/01/881844801.db2.gz KPEKWDPUDAJIAV-QGZVFWFLSA-N 1 0 386.540 3.599 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192047293 865447714 /nfs/dbraw/zinc/44/77/14/865447714.db2.gz JVSAOVQCZCXRRJ-NVXWUHKLSA-N 1 0 375.881 3.722 20 30 GHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)ccc2NC1=O ZINC000174139856 865463155 /nfs/dbraw/zinc/46/31/55/865463155.db2.gz OHRNAINRPKRWEO-AVYPCKFXSA-N 1 0 379.460 3.938 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000738024443 865472262 /nfs/dbraw/zinc/47/22/62/865472262.db2.gz UUOVJAJRVVFBGN-UHFFFAOYSA-N 1 0 385.515 3.896 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(C[NH+](C)C)CC2)c1=S ZINC000738074953 865479575 /nfs/dbraw/zinc/47/95/75/865479575.db2.gz AJDGIOMGYYNEAE-UHFFFAOYSA-N 1 0 385.581 3.807 20 30 GHEDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000738342531 865544136 /nfs/dbraw/zinc/54/41/36/865544136.db2.gz YXBKXICNKXGZEF-LPHOPBHVSA-N 1 0 398.466 3.722 20 30 GHEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555132539 865552749 /nfs/dbraw/zinc/55/27/49/865552749.db2.gz WFPNLGCPSKIASK-MORSLUCNSA-N 1 0 381.923 3.673 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000594254132 865613424 /nfs/dbraw/zinc/61/34/24/865613424.db2.gz ZOUMJEJNIOLIBF-LJQANCHMSA-N 1 0 375.516 3.765 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172582700 865631530 /nfs/dbraw/zinc/63/15/30/865631530.db2.gz MIMXSNHKHCTESR-SFHVURJKSA-N 1 0 375.582 3.602 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(c3c(C#N)cnc4c(Br)cccc43)C2)C1 ZINC000555206691 865707700 /nfs/dbraw/zinc/70/77/00/865707700.db2.gz NRMWXOCICLOAND-IBGZPJMESA-N 1 0 385.309 3.791 20 30 GHEDRO CCN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000608877201 865784125 /nfs/dbraw/zinc/78/41/25/865784125.db2.gz RUAMMSVREGWQFR-PGRDOPGGSA-N 1 0 376.504 3.654 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555256485 865785649 /nfs/dbraw/zinc/78/56/49/865785649.db2.gz JOIGRRGXNGMPIY-OAQYLSRUSA-N 1 0 379.552 3.818 20 30 GHEDRO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(C#N)cc1 ZINC000739990888 865822008 /nfs/dbraw/zinc/82/20/08/865822008.db2.gz TZJPLMVYSFSNSN-MBSDFSHPSA-N 1 0 391.515 3.937 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000174579419 865928638 /nfs/dbraw/zinc/92/86/38/865928638.db2.gz IQNQDQXLBNUESQ-LJQANCHMSA-N 1 0 391.475 3.562 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)s1 ZINC000740484969 865930217 /nfs/dbraw/zinc/93/02/17/865930217.db2.gz YYINFKRCBPLADW-GOSISDBHSA-N 1 0 380.517 3.666 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000740738396 865976119 /nfs/dbraw/zinc/97/61/19/865976119.db2.gz CMRUXSRWVDDXFB-UHFFFAOYSA-N 1 0 387.936 3.989 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000121367591 866026829 /nfs/dbraw/zinc/02/68/29/866026829.db2.gz MKQAEVZRIYAXLY-LJQANCHMSA-N 1 0 392.503 3.909 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1cccc(OCC#N)c1 ZINC000761625810 881952076 /nfs/dbraw/zinc/95/20/76/881952076.db2.gz XYYBZTFLLXVIBY-ROUUACIJSA-N 1 0 392.503 3.867 20 30 GHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccccc2CC)c1 ZINC000741239328 866335198 /nfs/dbraw/zinc/33/51/98/866335198.db2.gz PSFWIDXUOOBHJF-UHFFFAOYSA-O 1 0 389.504 3.575 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508493963 866349738 /nfs/dbraw/zinc/34/97/38/866349738.db2.gz NGIVEHJJJCNZSO-PKOBYXMFSA-N 1 0 375.561 3.510 20 30 GHEDRO N#Cc1ccc(OCCCOC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000741328042 866409592 /nfs/dbraw/zinc/40/95/92/866409592.db2.gz DPGBGKHTDMXTFZ-UHFFFAOYSA-N 1 0 378.472 3.783 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000741336745 866424205 /nfs/dbraw/zinc/42/42/05/866424205.db2.gz CSQMKRZLRHHMRY-UHFFFAOYSA-N 1 0 379.460 3.586 20 30 GHEDRO COc1ccc(CCNC(NCc2ccc([N+](=O)[O-])cc2)=[NH+]C(C)(C)C)cc1 ZINC000304292844 866473813 /nfs/dbraw/zinc/47/38/13/866473813.db2.gz DJAHHMBAIBUQTD-UHFFFAOYSA-N 1 0 384.480 3.680 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)nc1 ZINC000609977528 866498450 /nfs/dbraw/zinc/49/84/50/866498450.db2.gz QNYDPLLJUHLUOT-HXUWFJFHSA-N 1 0 390.487 3.836 20 30 GHEDRO N#CC(CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1)(c1ccccc1)c1ccccc1 ZINC000193076414 866566117 /nfs/dbraw/zinc/56/61/17/866566117.db2.gz VNNYWODUMCXDOY-NRFANRHFSA-N 1 0 385.515 3.890 20 30 GHEDRO [NH2+]=C(NCCc1ccc(F)c(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000262545231 866623086 /nfs/dbraw/zinc/62/30/86/866623086.db2.gz RWIZGOMCVGYOGH-INIZCTEOSA-N 1 0 392.272 3.559 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccc(F)cc3Cl)CC2)cc1OC ZINC000305719185 866630202 /nfs/dbraw/zinc/63/02/02/866630202.db2.gz OEYLHKASHVPLKH-UHFFFAOYSA-N 1 0 377.847 3.955 20 30 GHEDRO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183462854 866734069 /nfs/dbraw/zinc/73/40/69/866734069.db2.gz LSAAUHYIYRFSND-UKRRQHHQSA-N 1 0 392.450 3.934 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508832620 866836430 /nfs/dbraw/zinc/83/64/30/866836430.db2.gz LJAHWSINYWIFCE-SLFFLAALSA-N 1 0 387.572 3.510 20 30 GHEDRO N#Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(N)c1[N+](=O)[O-] ZINC000553156159 866914623 /nfs/dbraw/zinc/91/46/23/866914623.db2.gz SSOQEVKNZPGGTF-QFIPXVFZSA-N 1 0 391.475 3.541 20 30 GHEDRO C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000523285933 867022570 /nfs/dbraw/zinc/02/25/70/867022570.db2.gz RUBLLFYGCFNLJL-KRWDZBQOSA-N 1 0 381.476 3.580 20 30 GHEDRO C=CC[C@H]1[N@H+](Cc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)CCCC1(C)C ZINC000444775916 867218062 /nfs/dbraw/zinc/21/80/62/867218062.db2.gz BCCWLHYWNFFBTE-CQSZACIVSA-N 1 0 386.496 3.857 20 30 GHEDRO C=C(C[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1)c1ccccc1 ZINC000620757809 867275923 /nfs/dbraw/zinc/27/59/23/867275923.db2.gz KWEGOSDMLNQOLV-GOSISDBHSA-N 1 0 382.504 3.744 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC#Cc1ccccc1 ZINC000465566994 867282188 /nfs/dbraw/zinc/28/21/88/867282188.db2.gz ISBXFWDQYQVMHA-HSZRJFAPSA-N 1 0 375.516 3.592 20 30 GHEDRO C=C[C@H](CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000534694606 867307675 /nfs/dbraw/zinc/30/76/75/867307675.db2.gz GFNZVYYIKIVQLN-WIYYLYMNSA-N 1 0 391.515 3.682 20 30 GHEDRO N#CCC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000553385202 867335527 /nfs/dbraw/zinc/33/55/27/867335527.db2.gz OVSJJJMSBJSMKS-PKOBYXMFSA-N 1 0 389.293 3.823 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1C#N ZINC000793295925 882072933 /nfs/dbraw/zinc/07/29/33/882072933.db2.gz NHSSOWNNKYPXKT-FQEVSTJZSA-N 1 0 393.487 3.705 20 30 GHEDRO CC[C@H](C)Oc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000479215189 867368269 /nfs/dbraw/zinc/36/82/69/867368269.db2.gz LODUETBWFRMGRU-SFHVURJKSA-N 1 0 392.503 3.547 20 30 GHEDRO Cc1ccc(SCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479243938 867400820 /nfs/dbraw/zinc/40/08/20/867400820.db2.gz MHUGAOQHNNZGAR-UHFFFAOYSA-N 1 0 379.529 3.762 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000479306582 867512114 /nfs/dbraw/zinc/51/21/14/867512114.db2.gz BXDWEEZDHOWKEM-QFIPXVFZSA-N 1 0 390.531 3.800 20 30 GHEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000523605874 867642432 /nfs/dbraw/zinc/64/24/32/867642432.db2.gz ZQHVDRRBWQAJSP-GFCCVEGCSA-N 1 0 384.261 3.516 20 30 GHEDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000155239506 867820391 /nfs/dbraw/zinc/82/03/91/867820391.db2.gz QGFDFRVCOYKATR-QUCCMNQESA-N 1 0 377.488 3.820 20 30 GHEDRO N#Cc1cc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccccc12 ZINC000553677489 867903160 /nfs/dbraw/zinc/90/31/60/867903160.db2.gz WAICJJYDVRTYMC-QFIPXVFZSA-N 1 0 397.526 3.503 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479525824 867921754 /nfs/dbraw/zinc/92/17/54/867921754.db2.gz MCZAKZLPXMJETE-HXUWFJFHSA-N 1 0 386.584 3.750 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000743200921 867950314 /nfs/dbraw/zinc/95/03/14/867950314.db2.gz WSJJPBSVXFRFHK-UHFFFAOYSA-N 1 0 395.478 3.932 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000743201098 867952712 /nfs/dbraw/zinc/95/27/12/867952712.db2.gz FEGKMPPDIRBVAP-LJQANCHMSA-N 1 0 395.478 3.524 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743201272 867954235 /nfs/dbraw/zinc/95/42/35/867954235.db2.gz LNWFQOXTIDUNSY-LJQANCHMSA-N 1 0 395.478 3.824 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190629645 882144514 /nfs/dbraw/zinc/14/45/14/882144514.db2.gz HOJUBKSEHBOLLG-KUHUBIRLSA-N 1 0 385.414 3.611 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000743489927 868236182 /nfs/dbraw/zinc/23/61/82/868236182.db2.gz MNSCVMKRWPEXMU-UHFFFAOYSA-N 1 0 387.483 3.762 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000523929257 868282680 /nfs/dbraw/zinc/28/26/80/868282680.db2.gz OTAGSFLEOIYXAI-SFHVURJKSA-N 1 0 376.501 3.659 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000457486899 868346969 /nfs/dbraw/zinc/34/69/69/868346969.db2.gz QDQBDZMEZJCGLB-FCHUYYIVSA-N 1 0 378.520 3.894 20 30 GHEDRO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000111535062 868391420 /nfs/dbraw/zinc/39/14/20/868391420.db2.gz HXVZYXYBBICCOQ-FDDCHVKYSA-N 1 0 388.515 3.709 20 30 GHEDRO C=CCC1(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCOCC1 ZINC000665900630 868393416 /nfs/dbraw/zinc/39/34/16/868393416.db2.gz OISKLNQYUIPCKT-UHFFFAOYSA-N 1 0 389.565 3.525 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743871280 868467673 /nfs/dbraw/zinc/46/76/73/868467673.db2.gz ZUUQIZYWEDTYBC-AWEZNQCLSA-N 1 0 381.314 3.566 20 30 GHEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000669807478 868510507 /nfs/dbraw/zinc/51/05/07/868510507.db2.gz DRBOCSJVIHIPSW-FQEVSTJZSA-N 1 0 393.560 3.827 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000669806915 868531460 /nfs/dbraw/zinc/53/14/60/868531460.db2.gz HKFFUOIRTULXQI-QGZVFWFLSA-N 1 0 376.508 3.677 20 30 GHEDRO CC[NH+]=C(NC[C@@H](C)Oc1ccccc1Cl)N1CCC2(C1)CCOCC2 ZINC000262769340 882202845 /nfs/dbraw/zinc/20/28/45/882202845.db2.gz HDYADHYAWAVJKW-MRXNPFEDSA-N 1 0 379.932 3.575 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542630990 868639928 /nfs/dbraw/zinc/63/99/28/868639928.db2.gz ROKMMDOEOHGIIE-MSOLQXFVSA-N 1 0 387.480 3.940 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000744288963 868717008 /nfs/dbraw/zinc/71/70/08/868717008.db2.gz HSEDZOUPIHHGJD-QFIPXVFZSA-N 1 0 393.506 3.883 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000535414833 868742950 /nfs/dbraw/zinc/74/29/50/868742950.db2.gz GVHMUPSGQJIDJA-UHFFFAOYSA-N 1 0 382.533 3.979 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000479958964 868772781 /nfs/dbraw/zinc/77/27/81/868772781.db2.gz MVFAIDGALGRDAN-IBGZPJMESA-N 1 0 377.488 3.959 20 30 GHEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)C(N)=O)cc1 ZINC000442760263 868821453 /nfs/dbraw/zinc/82/14/53/868821453.db2.gz GFMIMJIJLMPNOA-KRWDZBQOSA-N 1 0 391.368 3.564 20 30 GHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000669815997 868901366 /nfs/dbraw/zinc/90/13/66/868901366.db2.gz IVFAKZFUBMYLMD-IFMALSPDSA-N 1 0 391.563 3.702 20 30 GHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)/C=C\c3ccccc3C#N)cc2)C1 ZINC000744746266 869043324 /nfs/dbraw/zinc/04/33/24/869043324.db2.gz LPNJATGHDOVOET-HJLMUGLJSA-N 1 0 375.472 3.931 20 30 GHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCc2ccncc2)CC1 ZINC000462345319 869262851 /nfs/dbraw/zinc/26/28/51/869262851.db2.gz GWYOOHKBKQRREN-FQEVSTJZSA-N 1 0 399.336 3.659 20 30 GHEDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2=O)ccc1Br ZINC000462375102 869319634 /nfs/dbraw/zinc/31/96/34/869319634.db2.gz AOAXLULPJIIRLB-GOSISDBHSA-N 1 0 384.277 3.524 20 30 GHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000475639952 869360911 /nfs/dbraw/zinc/36/09/11/869360911.db2.gz CFLZHSZFTUZSOX-UHFFFAOYSA-N 1 0 379.504 3.748 20 30 GHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)c1C#N ZINC000539613911 869448946 /nfs/dbraw/zinc/44/89/46/869448946.db2.gz WMVDNMUEGBXXRZ-QHCPKHFHSA-N 1 0 394.519 3.531 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000524907285 869741705 /nfs/dbraw/zinc/74/17/05/869741705.db2.gz QBKBIDCAJALEBF-UHFFFAOYSA-N 1 0 380.488 3.996 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccccc1)c1ccccc1C#N ZINC000745723666 869768422 /nfs/dbraw/zinc/76/84/22/869768422.db2.gz DVPJCCZGPISSEO-FQEVSTJZSA-N 1 0 378.545 3.924 20 30 GHEDRO C=CC[N@@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)CC1CCCCC1 ZINC000539830834 869866779 /nfs/dbraw/zinc/86/67/79/869866779.db2.gz XXEGQJRAVCMBHZ-UHFFFAOYSA-N 1 0 380.916 3.781 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000525025622 869904921 /nfs/dbraw/zinc/90/49/21/869904921.db2.gz OTMWAOOYITTXMG-FOIQADDNSA-N 1 0 381.451 3.902 20 30 GHEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943732 869909587 /nfs/dbraw/zinc/90/95/87/869909587.db2.gz DPXKGIWOUSWEGK-MRXNPFEDSA-N 1 0 379.888 3.684 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CCCN(c3nccs3)CC2)c(-c2ccccc2)n1 ZINC000092482373 882363978 /nfs/dbraw/zinc/36/39/78/882363978.db2.gz RHCBZOJARJULKZ-UHFFFAOYSA-N 1 0 392.532 3.633 20 30 GHEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920762394 882365623 /nfs/dbraw/zinc/36/56/23/882365623.db2.gz UYPXMAMDYXSWOE-GOSISDBHSA-N 1 0 377.326 3.657 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)[nH]1 ZINC000540025168 870237250 /nfs/dbraw/zinc/23/72/50/870237250.db2.gz VRAPVKWVBWQGPR-UHFFFAOYSA-N 1 0 399.498 3.503 20 30 GHEDRO C=CCN(C)CCN(CC)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001192328050 870291875 /nfs/dbraw/zinc/29/18/75/870291875.db2.gz YKYFREXIOCCXSU-UHFFFAOYSA-N 1 0 399.969 3.592 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000540053124 870314694 /nfs/dbraw/zinc/31/46/94/870314694.db2.gz RQPMOUPWWXDWGK-OAHLLOKOSA-N 1 0 396.354 3.680 20 30 GHEDRO COc1cccc(C2(NCc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)c1 ZINC000775525130 870326072 /nfs/dbraw/zinc/32/60/72/870326072.db2.gz XKEMRJZQKDLJAB-SFHVURJKSA-N 1 0 384.439 3.511 20 30 GHEDRO Cc1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000065447830 870587789 /nfs/dbraw/zinc/58/77/89/870587789.db2.gz OBNUKFURLLBXPL-UHFFFAOYSA-N 1 0 390.531 3.635 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000525422714 870688175 /nfs/dbraw/zinc/68/81/75/870688175.db2.gz KRANEYFUPZJDSR-GOSISDBHSA-N 1 0 380.444 3.554 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001192926560 870791079 /nfs/dbraw/zinc/79/10/79/870791079.db2.gz IIRGMJMJAKBJSK-TYPHKJRUSA-N 1 0 389.588 3.632 20 30 GHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000249265564 870797956 /nfs/dbraw/zinc/79/79/56/870797956.db2.gz IVASAARPEZDZMF-KVSKMBFKSA-N 1 0 379.426 3.740 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000766492770 870817821 /nfs/dbraw/zinc/81/78/21/870817821.db2.gz WIAZVYOCNYJJKR-HIFRSBDPSA-N 1 0 387.842 3.665 20 30 GHEDRO C[C@@H]1C[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168825123 870878710 /nfs/dbraw/zinc/87/87/10/870878710.db2.gz RLDCAUMZGPTTHW-UYAOXDASSA-N 1 0 398.551 3.532 20 30 GHEDRO N#Cc1c(F)cccc1N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000029858098 870893399 /nfs/dbraw/zinc/89/33/99/870893399.db2.gz DFNHTIZNJAQHLQ-UHFFFAOYSA-N 1 0 397.479 3.564 20 30 GHEDRO C=CCC[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000249772267 870906918 /nfs/dbraw/zinc/90/69/18/870906918.db2.gz BTLSFKOQDZBWSM-PKTZIBPZSA-N 1 0 378.516 3.619 20 30 GHEDRO Oc1ccc(Br)cc1/C=N\CC1([NH+]2CCOCC2)CCCCC1 ZINC000920944516 882465440 /nfs/dbraw/zinc/46/54/40/882465440.db2.gz NJRRTOFPXCUZFG-MOSHPQCFSA-N 1 0 381.314 3.609 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)CCCC2 ZINC000429706526 871059873 /nfs/dbraw/zinc/05/98/73/871059873.db2.gz DGTQUVFPHBEIBR-CWFSZBLJSA-N 1 0 399.560 3.764 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)CCCC2 ZINC000429706527 871060482 /nfs/dbraw/zinc/06/04/82/871060482.db2.gz DGTQUVFPHBEIBR-YSGRDPCXSA-N 1 0 399.560 3.764 20 30 GHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033681 871109403 /nfs/dbraw/zinc/10/94/03/871109403.db2.gz DITHYOYWTKSMGD-RHSMWYFYSA-N 1 0 392.297 3.752 20 30 GHEDRO COc1ccc(OCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181569924 871181581 /nfs/dbraw/zinc/18/15/81/871181581.db2.gz CONQRNPWYVFJJD-UHFFFAOYSA-N 1 0 379.504 3.590 20 30 GHEDRO CC[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC001169091634 871199524 /nfs/dbraw/zinc/19/95/24/871199524.db2.gz PQIBFUWTTIFZAL-HXUWFJFHSA-N 1 0 396.922 3.747 20 30 GHEDRO COCC#CC[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001193964345 871406505 /nfs/dbraw/zinc/40/65/05/871406505.db2.gz SNVGFHOOAGJYJO-SFHVURJKSA-N 1 0 398.366 3.675 20 30 GHEDRO C[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000462024989 871450775 /nfs/dbraw/zinc/45/07/75/871450775.db2.gz CZSCTPHIKHBBRM-FQEVSTJZSA-N 1 0 375.516 3.829 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)ccc1OCc1ccccc1 ZINC000539254581 871563005 /nfs/dbraw/zinc/56/30/05/871563005.db2.gz BAJWRBDTWNEJFD-QZTJIDSGSA-N 1 0 395.503 3.685 20 30 GHEDRO COC(=O)Cc1cc(Cl)nc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)c1C#N ZINC001169683645 871752074 /nfs/dbraw/zinc/75/20/74/871752074.db2.gz BTEIJQYNOONXKR-INIZCTEOSA-N 1 0 384.867 3.562 20 30 GHEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508890555 882554924 /nfs/dbraw/zinc/55/49/24/882554924.db2.gz XQDCXEHJNUUBAN-QGZVFWFLSA-N 1 0 393.491 3.616 20 30 GHEDRO C=Cc1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000463504785 871893889 /nfs/dbraw/zinc/89/38/89/871893889.db2.gz LPLXRLDCUFSMGR-UHFFFAOYSA-N 1 0 388.515 3.661 20 30 GHEDRO N#CCSCCC[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001194781890 871929041 /nfs/dbraw/zinc/92/90/41/871929041.db2.gz JZHQMCBVSSFJMR-RDJZCZTQSA-N 1 0 383.355 3.841 20 30 GHEDRO CCOc1cc(N2CC[NH+](CCCCC3(C#N)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001169907662 872002140 /nfs/dbraw/zinc/00/21/40/872002140.db2.gz JKRJGPTYPUXGGK-UHFFFAOYSA-N 1 0 386.496 3.980 20 30 GHEDRO CC[N@H+](Cc1cc2c(cc1OCCOC)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000508603996 872002709 /nfs/dbraw/zinc/00/27/09/872002709.db2.gz KYNIMIJYJHSVBJ-MRXNPFEDSA-N 1 0 382.460 3.895 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000618797216 872006318 /nfs/dbraw/zinc/00/63/18/872006318.db2.gz GJOATJRAFOMFEU-VQTJNVASSA-N 1 0 378.476 3.665 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000618842345 872055171 /nfs/dbraw/zinc/05/51/71/872055171.db2.gz LCZFYEARFHJEGH-QFIPXVFZSA-N 1 0 380.536 3.843 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763516719 872233026 /nfs/dbraw/zinc/23/30/26/872233026.db2.gz FSBHQQWZQQMWAT-HBMCJLEFSA-N 1 0 399.535 3.846 20 30 GHEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000552271188 872332036 /nfs/dbraw/zinc/33/20/36/872332036.db2.gz WSFOSRUHDHJTRU-PCCBWWKXSA-N 1 0 383.536 3.612 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540862510 872338007 /nfs/dbraw/zinc/33/80/07/872338007.db2.gz FSHCRFUHYXCJLN-PKOBYXMFSA-N 1 0 385.556 3.621 20 30 GHEDRO COC(=O)/C=C/c1ccc(OCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000767306399 872391497 /nfs/dbraw/zinc/39/14/97/872391497.db2.gz UFKXAMURYHNKBY-MDWZMJQESA-N 1 0 376.456 3.788 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccccc1 ZINC000022804427 872399925 /nfs/dbraw/zinc/39/99/25/872399925.db2.gz PJCPWZHVQFSEHG-UHFFFAOYSA-O 1 0 378.315 3.675 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C)C2)cc(OC)c1OC ZINC000763540954 872493044 /nfs/dbraw/zinc/49/30/44/872493044.db2.gz XQRBSWFBOLTUOI-IPELMVKDSA-N 1 0 375.509 3.890 20 30 GHEDRO C#CC[N@@H+](CCCc1nc(C)no1)[C@H]1CCOc2ccc(Br)cc21 ZINC000763549275 872520074 /nfs/dbraw/zinc/52/00/74/872520074.db2.gz ULMFSGYKCCCLCK-INIZCTEOSA-N 1 0 390.281 3.532 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619476510 872672998 /nfs/dbraw/zinc/67/29/98/872672998.db2.gz CRJDHXWYRQSXEW-SFHVURJKSA-N 1 0 397.544 3.606 20 30 GHEDRO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000619569468 872746980 /nfs/dbraw/zinc/74/69/80/872746980.db2.gz KWBSCMZYXKFDDD-UHOSZYNNSA-N 1 0 375.900 3.556 20 30 GHEDRO C[C@@H](C#N)CNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000182765329 872747469 /nfs/dbraw/zinc/74/74/69/872747469.db2.gz QYXMWAORIAJHSC-AWEZNQCLSA-N 1 0 383.323 3.760 20 30 GHEDRO CC(=O)Nc1ccc2c(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000767724648 872789247 /nfs/dbraw/zinc/78/92/47/872789247.db2.gz QAEPFYRRHGRQRJ-UHFFFAOYSA-N 1 0 399.450 3.912 20 30 GHEDRO C[C@@H]1C[NH+](CCC2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)C[C@@H](C)O1 ZINC000619696496 872884602 /nfs/dbraw/zinc/88/46/02/872884602.db2.gz CIDJIPZXGXJHDN-HUUCEWRRSA-N 1 0 396.457 3.688 20 30 GHEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)o1 ZINC000794278373 882668324 /nfs/dbraw/zinc/66/83/24/882668324.db2.gz IJTSQDLTTOFVJB-UHFFFAOYSA-N 1 0 380.448 3.608 20 30 GHEDRO CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755202 872965738 /nfs/dbraw/zinc/96/57/38/872965738.db2.gz CGIUIEIRKPPINW-QFIPXVFZSA-N 1 0 383.923 3.937 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2ccccc2)sc2c1CCCCC2 ZINC000182925119 872974084 /nfs/dbraw/zinc/97/40/84/872974084.db2.gz NZJREYQTSNHZIF-SFHVURJKSA-N 1 0 383.517 3.540 20 30 GHEDRO CC(C)(C)[C@@H]([NH2+]CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000102390011 872990060 /nfs/dbraw/zinc/99/00/60/872990060.db2.gz FIBWMQATONJCDG-NRFANRHFSA-N 1 0 390.487 3.657 20 30 GHEDRO C[C@@H](C(=O)NCc1cc(C#N)ccc1F)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000464037210 873066056 /nfs/dbraw/zinc/06/60/56/873066056.db2.gz DNMXEIJIBQZCMW-KRWDZBQOSA-N 1 0 379.479 3.657 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCc2cc(Br)ccc2OCCC)CC1 ZINC000763599418 873076599 /nfs/dbraw/zinc/07/65/99/873076599.db2.gz FVCWDGJHLDFMFH-UHFFFAOYSA-N 1 0 394.309 3.626 20 30 GHEDRO Cc1cccc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC000443484239 873105090 /nfs/dbraw/zinc/10/50/90/873105090.db2.gz CUDHIYRQPYJNFU-GOSISDBHSA-N 1 0 389.565 3.532 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000153033927 873134153 /nfs/dbraw/zinc/13/41/53/873134153.db2.gz JTFBFJALCNUFSP-OAHLLOKOSA-N 1 0 399.457 3.932 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC001196449476 873134730 /nfs/dbraw/zinc/13/47/30/873134730.db2.gz IIPOQRRVPFOUSN-IBGZPJMESA-N 1 0 399.498 3.586 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000867181301 873188718 /nfs/dbraw/zinc/18/87/18/873188718.db2.gz MAFPNBCZESBWED-UHFFFAOYSA-N 1 0 387.487 3.813 20 30 GHEDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Nc2ccccc2C#N)CC1)c1ccccc1 ZINC001196545135 873197878 /nfs/dbraw/zinc/19/78/78/873197878.db2.gz MJCRDHUNDQXWPF-MSOLQXFVSA-N 1 0 376.504 3.700 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000448371075 873282466 /nfs/dbraw/zinc/28/24/66/873282466.db2.gz LRORVJPBBGNGSS-NRFANRHFSA-N 1 0 390.531 3.971 20 30 GHEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000494629866 882711953 /nfs/dbraw/zinc/71/19/53/882711953.db2.gz IETDUDOFZUIKBB-BBRMVZONSA-N 1 0 389.546 3.570 20 30 GHEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000494629868 882712245 /nfs/dbraw/zinc/71/22/45/882712245.db2.gz IETDUDOFZUIKBB-CJNGLKHVSA-N 1 0 389.546 3.570 20 30 GHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000541443390 873587699 /nfs/dbraw/zinc/58/76/99/873587699.db2.gz UPPQHFYUSNFJJF-ROUUACIJSA-N 1 0 382.552 3.989 20 30 GHEDRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000527813866 873602137 /nfs/dbraw/zinc/60/21/37/873602137.db2.gz YCROWLNHPXHOLB-UHFFFAOYSA-N 1 0 390.462 3.987 20 30 GHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001197186021 873620391 /nfs/dbraw/zinc/62/03/91/873620391.db2.gz WXEKNWHDOXHZBN-PKTZIBPZSA-N 1 0 391.515 3.759 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1C#N ZINC000464328983 873624067 /nfs/dbraw/zinc/62/40/67/873624067.db2.gz SNZZNIJFHLERBT-MRXNPFEDSA-N 1 0 384.549 3.547 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4cc(F)c(Cl)cc43)C2=O)cc1 ZINC000527893672 873725265 /nfs/dbraw/zinc/72/52/65/873725265.db2.gz OGXJOIUNYBBKFW-VQTJNVASSA-N 1 0 383.854 3.729 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000769023053 873748193 /nfs/dbraw/zinc/74/81/93/873748193.db2.gz XZPAUKJGUSNBIG-UHFFFAOYSA-N 1 0 390.405 3.927 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464394514 873775008 /nfs/dbraw/zinc/77/50/08/873775008.db2.gz AOGLBUBLLYZJPF-IBGZPJMESA-N 1 0 380.488 3.607 20 30 GHEDRO C#CCCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000769202415 873885139 /nfs/dbraw/zinc/88/51/39/873885139.db2.gz RDYVHGXRLPQHTL-HXUWFJFHSA-N 1 0 381.451 3.624 20 30 GHEDRO CC(=O)c1ccc(C#N)c(NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000541578626 873899530 /nfs/dbraw/zinc/89/95/30/873899530.db2.gz VVZYDRAIWRQRNM-UHFFFAOYSA-N 1 0 377.488 3.890 20 30 GHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1c(C)nn(C)c1C ZINC000541594882 873910723 /nfs/dbraw/zinc/91/07/23/873910723.db2.gz JMYBWWUECBODBS-BLLLJJGKSA-N 1 0 385.537 3.527 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CCCC3(C[NH+](Cc4ccccc4)C3)C2)c1 ZINC001197704649 873992258 /nfs/dbraw/zinc/99/22/58/873992258.db2.gz IJLFKNQWZGCQQR-UHFFFAOYSA-N 1 0 376.529 3.853 20 30 GHEDRO N#Cc1cccc(NC(=S)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001197723653 874008194 /nfs/dbraw/zinc/00/81/94/874008194.db2.gz NMSZMCZMFHMHRD-HLAWJBBLSA-N 1 0 376.529 3.755 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000769398860 874018113 /nfs/dbraw/zinc/01/81/13/874018113.db2.gz GUOFIBZLIWLWQD-UHFFFAOYSA-N 1 0 388.309 3.885 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000769421484 874037677 /nfs/dbraw/zinc/03/76/77/874037677.db2.gz YNNOJIJMZRLYCR-MAUKXSAKSA-N 1 0 392.421 3.937 20 30 GHEDRO C#C[C@H]([NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@H]1CCCO1 ZINC000775808207 874140760 /nfs/dbraw/zinc/14/07/60/874140760.db2.gz YVZFYKMKDLXZNF-DLBZAZTESA-N 1 0 393.325 3.555 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528276141 874295715 /nfs/dbraw/zinc/29/57/15/874295715.db2.gz GUCIADKSSDMPTE-VXKWHMMOSA-N 1 0 379.479 3.781 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(OC(F)F)ccc1F ZINC000528280656 874302615 /nfs/dbraw/zinc/30/26/15/874302615.db2.gz OCYPLLUKWNMZBE-UHFFFAOYSA-N 1 0 391.393 3.503 20 30 GHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429495832 874322937 /nfs/dbraw/zinc/32/29/37/874322937.db2.gz WVHLNXPAYLBJRZ-IRXDYDNUSA-N 1 0 375.538 3.764 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001198551126 874497794 /nfs/dbraw/zinc/49/77/94/874497794.db2.gz BULOLURXMOVNAS-CEXWTWQISA-N 1 0 387.499 3.599 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c(-c2ccc(C#N)cc2)n1 ZINC000541909434 874508419 /nfs/dbraw/zinc/50/84/19/874508419.db2.gz GUNGTFIWSFIENB-NRFANRHFSA-N 1 0 382.471 3.755 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775881289 874515714 /nfs/dbraw/zinc/51/57/14/874515714.db2.gz QRPZXLQPFWOWNO-UHFFFAOYSA-N 1 0 379.504 3.891 20 30 GHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000464814373 874541858 /nfs/dbraw/zinc/54/18/58/874541858.db2.gz LWCPAPJEABNMAH-VQTJNVASSA-N 1 0 379.529 3.795 20 30 GHEDRO CC1(C#N)CCC([NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000449162196 874558945 /nfs/dbraw/zinc/55/89/45/874558945.db2.gz IGYHUOZNKIHNMA-XERBYJISSA-N 1 0 375.516 3.976 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000464830017 874594971 /nfs/dbraw/zinc/59/49/71/874594971.db2.gz NTOKYNLQJGDKQH-YADHBBJMSA-N 1 0 387.483 3.835 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)O[C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000783653461 874813873 /nfs/dbraw/zinc/81/38/73/874813873.db2.gz AWHMPWZFJVWKBC-SFHVURJKSA-N 1 0 376.294 3.715 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1OC ZINC000858136445 882871353 /nfs/dbraw/zinc/87/13/53/882871353.db2.gz SVRQFETYJBJZTQ-SFHVURJKSA-N 1 0 394.943 3.646 20 30 GHEDRO Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1Cl ZINC000528779295 875050688 /nfs/dbraw/zinc/05/06/88/875050688.db2.gz USYMNXYEBQSCAL-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO CC(C)c1ccc(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000528779934 875052031 /nfs/dbraw/zinc/05/20/31/875052031.db2.gz ZHTSXFKZCFZDNB-UHFFFAOYSA-N 1 0 377.488 3.916 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000192355016 882900054 /nfs/dbraw/zinc/90/00/54/882900054.db2.gz AAZHWDMYJXQCTJ-OAQYLSRUSA-N 1 0 377.488 3.923 20 30 GHEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000443723534 875192935 /nfs/dbraw/zinc/19/29/35/875192935.db2.gz LCAMCKYTBBPFAB-UHFFFAOYSA-N 1 0 395.956 3.533 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCC[C@@H]2CCOC2)cc1OC ZINC000449678978 875228733 /nfs/dbraw/zinc/22/87/33/875228733.db2.gz CLEHBLNRJUSWHX-CQSZACIVSA-N 1 0 384.314 3.929 20 30 GHEDRO CC1(C#N)CCC([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449680389 875231143 /nfs/dbraw/zinc/23/11/43/875231143.db2.gz GJGSBCUJELGZPB-SYJJWHGVSA-N 1 0 383.305 3.801 20 30 GHEDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1ccc(C#N)s1 ZINC000449680448 875232751 /nfs/dbraw/zinc/23/27/51/875232751.db2.gz GWDQUOMRWPRHAC-ZDUSSCGKSA-N 1 0 379.323 3.632 20 30 GHEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449681645 875233072 /nfs/dbraw/zinc/23/30/72/875233072.db2.gz JRYBTTXWPGLYAZ-LSJNQWAISA-N 1 0 379.342 3.971 20 30 GHEDRO C#CC[N@@H+](Cc1ccc(F)cc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604515 875347739 /nfs/dbraw/zinc/34/77/39/875347739.db2.gz CNNNHHMSDUVGTC-UHFFFAOYSA-N 1 0 399.263 3.996 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000134568040 882939144 /nfs/dbraw/zinc/93/91/44/882939144.db2.gz MPVPSODBHRTFNW-SJORKVTESA-N 1 0 375.538 3.548 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCC/C=C\c2ccc(Br)cc2)CC1 ZINC000772115930 875706525 /nfs/dbraw/zinc/70/65/25/875706525.db2.gz KLWWUOYHZMHOMO-HYXAFXHYSA-N 1 0 376.294 3.741 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)OCCOC(c2ccccc2)c2ccccc2)CC1 ZINC000772123676 875710953 /nfs/dbraw/zinc/71/09/53/875710953.db2.gz VIRPDZFRNBOXBC-UHFFFAOYSA-N 1 0 377.484 3.681 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000106037893 875712305 /nfs/dbraw/zinc/71/23/05/875712305.db2.gz YWDNKYUSBGSANO-UHFFFAOYSA-N 1 0 394.491 3.508 20 30 GHEDRO CCCCCCCCCCC[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001201630980 875774231 /nfs/dbraw/zinc/77/42/31/875774231.db2.gz KBYPOKHPVZVELN-NJDAHSKKSA-N 1 0 380.573 3.608 20 30 GHEDRO COCc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C#N ZINC000529209827 875830734 /nfs/dbraw/zinc/83/07/34/875830734.db2.gz BIHABZWMUINSPK-MSOLQXFVSA-N 1 0 384.524 3.823 20 30 GHEDRO CC[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCCCC2 ZINC000271879929 875841362 /nfs/dbraw/zinc/84/13/62/875841362.db2.gz PETSQNVXEPXYJS-NRFANRHFSA-N 1 0 392.551 3.581 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1C#N ZINC000529215574 875844214 /nfs/dbraw/zinc/84/42/14/875844214.db2.gz FBAHSXBJKNHJNM-SFHVURJKSA-N 1 0 384.505 3.725 20 30 GHEDRO CCCCCCCCCC[N@@H+]1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001201874772 875918962 /nfs/dbraw/zinc/91/89/62/875918962.db2.gz FSGYOCWSEOZFGH-JOCHJYFZSA-N 1 0 390.572 3.525 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271950201 876148758 /nfs/dbraw/zinc/14/87/58/876148758.db2.gz QXKKUSQSSHMDBT-LSDHHAIUSA-N 1 0 381.451 3.767 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000173102343 876168421 /nfs/dbraw/zinc/16/84/21/876168421.db2.gz SAJXVKNQFZQJJN-UHFFFAOYSA-N 1 0 387.343 3.598 20 30 GHEDRO O=C(OCC#Cc1ccc(Cl)cc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785716272 876221055 /nfs/dbraw/zinc/22/10/55/876221055.db2.gz ZXCWYIOJMKLPQZ-UHFFFAOYSA-N 1 0 397.902 3.753 20 30 GHEDRO N#Cc1c(Cl)cccc1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450294644 876236516 /nfs/dbraw/zinc/23/65/16/876236516.db2.gz PWUCTMQHMAOVIP-GOSISDBHSA-N 1 0 395.938 3.645 20 30 GHEDRO CCOc1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(F)cc1OC ZINC000529565394 876336950 /nfs/dbraw/zinc/33/69/50/876336950.db2.gz JBQDXXZLWBKLLA-UHFFFAOYSA-N 1 0 385.483 3.668 20 30 GHEDRO CC(C)(C#N)CC(=O)O[C@H]1CCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000786429874 876687581 /nfs/dbraw/zinc/68/75/81/876687581.db2.gz CXMJETKGAGDGLY-MOPGFXCFSA-N 1 0 389.927 3.866 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000609347809 883066692 /nfs/dbraw/zinc/06/66/92/883066692.db2.gz CEHFCNMZMNVOHY-JOCHJYFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)CC1 ZINC000850383505 876868243 /nfs/dbraw/zinc/86/82/43/876868243.db2.gz GDESLJNQDUPMDW-UHFFFAOYSA-N 1 0 399.535 3.801 20 30 GHEDRO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000450759053 876878250 /nfs/dbraw/zinc/87/82/50/876878250.db2.gz KCMYNYDOJGNQLE-IBGZPJMESA-N 1 0 386.446 3.819 20 30 GHEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ncc(C#N)cc3Cl)CC2)cc1 ZINC000450789071 876891621 /nfs/dbraw/zinc/89/16/21/876891621.db2.gz VUYXJQSXSQDZKN-UHFFFAOYSA-N 1 0 383.883 3.642 20 30 GHEDRO N#CCOc1ccc(Cl)cc1COC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000786821382 876975958 /nfs/dbraw/zinc/97/59/58/876975958.db2.gz LGAAKCZBIIANGU-UHFFFAOYSA-N 1 0 384.863 3.734 20 30 GHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786865981 876990879 /nfs/dbraw/zinc/99/08/79/876990879.db2.gz WEQXRAVKEAJDBE-HNNXBMFYSA-N 1 0 387.405 3.937 20 30 GHEDRO CC[C@@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccc(C#N)cc1 ZINC000850542473 877011064 /nfs/dbraw/zinc/01/10/64/877011064.db2.gz PHZAZCXLTCFYPU-RBUKOAKNSA-N 1 0 385.508 3.767 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850550262 877017369 /nfs/dbraw/zinc/01/73/69/877017369.db2.gz ORLYKNQRNVTAQE-GUDVDZBRSA-N 1 0 391.556 3.855 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccc(CC)cc1 ZINC000804601584 883088962 /nfs/dbraw/zinc/08/89/62/883088962.db2.gz PPSVDFPFBLYOAV-UHFFFAOYSA-O 1 0 394.442 3.937 20 30 GHEDRO Cc1ccc([C@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000610026711 877315895 /nfs/dbraw/zinc/31/58/95/877315895.db2.gz GPYVXDRXRJZKQJ-HXUWFJFHSA-N 1 0 390.531 3.888 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000451101966 877395165 /nfs/dbraw/zinc/39/51/65/877395165.db2.gz AXSIXTPDYQYBBZ-GJZGRUSLSA-N 1 0 384.411 3.720 20 30 GHEDRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)ccc1C#N ZINC000443997427 877525987 /nfs/dbraw/zinc/52/59/87/877525987.db2.gz XGEZYAACZYTYDG-LJQANCHMSA-N 1 0 385.414 3.753 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](c3ccccc3)c3ccncn3)C2)c(F)c1 ZINC000530321237 877539419 /nfs/dbraw/zinc/53/94/19/877539419.db2.gz VXVGMTXQBVUHPR-WMZHIEFXSA-N 1 0 387.462 3.835 20 30 GHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)C1 ZINC000451186995 877547060 /nfs/dbraw/zinc/54/70/60/877547060.db2.gz FUFPNIIJFSPDPT-VYDXJSESSA-N 1 0 380.273 3.848 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000551725033 877689133 /nfs/dbraw/zinc/68/91/33/877689133.db2.gz VYWMKACSKFNVJD-KRWDZBQOSA-N 1 0 381.545 3.726 20 30 GHEDRO N#Cc1ncc(Br)cc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000787896364 877722244 /nfs/dbraw/zinc/72/22/44/877722244.db2.gz HFWHXDWOAMAWMG-OAHLLOKOSA-N 1 0 377.330 3.808 20 30 GHEDRO N#Cc1ccc(Br)c(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451290547 877729951 /nfs/dbraw/zinc/72/99/51/877729951.db2.gz ZIKBNTCJVQMSHZ-MJGOQNOKSA-N 1 0 389.268 3.621 20 30 GHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)CC1(C#N)CCC1)C1CCCCC1 ZINC000477497224 877736598 /nfs/dbraw/zinc/73/65/98/877736598.db2.gz BZNRWHKZCUOHOR-UHFFFAOYSA-N 1 0 389.565 3.564 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451355842 877851691 /nfs/dbraw/zinc/85/16/91/877851691.db2.gz QJPPOYMNWWUJAW-IBGZPJMESA-N 1 0 392.883 3.865 20 30 GHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)o1 ZINC000068132676 877944887 /nfs/dbraw/zinc/94/48/87/877944887.db2.gz XDYKIJFMFPFOHQ-IBGZPJMESA-N 1 0 393.487 3.821 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000451476833 877989879 /nfs/dbraw/zinc/98/98/79/877989879.db2.gz VVENGZCGJGXBOX-QZTJIDSGSA-N 1 0 375.900 3.524 20 30 GHEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000852101597 878076536 /nfs/dbraw/zinc/07/65/36/878076536.db2.gz SFLSJAFEVMFBQC-MWTRTKDXSA-N 1 0 393.487 3.666 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000237822846 878096732 /nfs/dbraw/zinc/09/67/32/878096732.db2.gz FKNIMMAJOYNQFJ-QHCPKHFHSA-N 1 0 379.504 3.532 20 30 GHEDRO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000031106571 878125179 /nfs/dbraw/zinc/12/51/79/878125179.db2.gz PHTOUULRESWVQE-QGZVFWFLSA-N 1 0 376.504 3.755 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000530589832 878130188 /nfs/dbraw/zinc/13/01/88/878130188.db2.gz XMBRASJMQDLINR-LJQANCHMSA-N 1 0 387.936 3.864 20 30 GHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]2CCCO2)c1 ZINC000068254152 878144315 /nfs/dbraw/zinc/14/43/15/878144315.db2.gz IFYXLGYRSJVRSV-OAQYLSRUSA-N 1 0 393.487 3.577 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1)CC1CC1 ZINC000537813589 878331220 /nfs/dbraw/zinc/33/12/20/878331220.db2.gz TZLZPNOXHBLVAC-UHFFFAOYSA-N 1 0 375.463 3.811 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000451684907 878337980 /nfs/dbraw/zinc/33/79/80/878337980.db2.gz WOQYXNPFJOSXDT-RZUBCFFCSA-N 1 0 384.907 3.869 20 30 GHEDRO C=C(Br)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475353 878357771 /nfs/dbraw/zinc/35/77/71/878357771.db2.gz ZTOVLTBPGQBWKN-OLZOCXBDSA-N 1 0 383.252 3.550 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC000852478886 878367111 /nfs/dbraw/zinc/36/71/11/878367111.db2.gz ZVYUCDVHLKQIAI-RTBURBONSA-N 1 0 393.453 3.756 20 30 GHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc4ccccc4c3)CCOCC2)c1 ZINC000852564336 878427555 /nfs/dbraw/zinc/42/75/55/878427555.db2.gz GYIZNEUWUZYYLI-UHFFFAOYSA-N 1 0 385.467 3.945 20 30 GHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000272131761 878456821 /nfs/dbraw/zinc/45/68/21/878456821.db2.gz BVBQJGCGAARFDP-SFHVURJKSA-N 1 0 391.515 3.940 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000852669682 878503582 /nfs/dbraw/zinc/50/35/82/878503582.db2.gz RHIGYRROHQUYPQ-RBBKRZOGSA-N 1 0 379.548 3.734 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000774606546 912354920 /nfs/dbraw/zinc/35/49/20/912354920.db2.gz UHRQREXNQCBXHI-HXUWFJFHSA-N 1 0 383.879 3.596 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@H](O)c1ccc(Cl)cc1 ZINC000852732502 878563328 /nfs/dbraw/zinc/56/33/28/878563328.db2.gz UUKARXDAJTUFRQ-FCHUYYIVSA-N 1 0 399.922 3.934 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)C(=O)N(CCC#N)c1ccccc1 ZINC000852783258 878598871 /nfs/dbraw/zinc/59/88/71/878598871.db2.gz XVNDPXZOUZKRKB-QZTJIDSGSA-N 1 0 377.488 3.998 20 30 GHEDRO COc1ccc([C@@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000852845197 878631623 /nfs/dbraw/zinc/63/16/23/878631623.db2.gz SNUONFULZYTELK-JOCHJYFZSA-N 1 0 382.891 3.557 20 30 GHEDRO Cc1cc([C@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2Cl)ccc1F ZINC000852845959 878631923 /nfs/dbraw/zinc/63/19/23/878631923.db2.gz AMAMRUJVCWURBN-QFIPXVFZSA-N 1 0 384.882 3.996 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000452020944 878817475 /nfs/dbraw/zinc/81/74/75/878817475.db2.gz UKLYHSVKLOVXJG-WOJBJXKFSA-N 1 0 398.482 3.591 20 30 GHEDRO C[N@H+](Cc1ccc(Br)cc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000452029658 878851558 /nfs/dbraw/zinc/85/15/58/878851558.db2.gz FAMQCSCMRCICTE-UHFFFAOYSA-N 1 0 390.247 3.779 20 30 GHEDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000789365395 878902647 /nfs/dbraw/zinc/90/26/47/878902647.db2.gz QBIQHGRNXKEOIA-QGZVFWFLSA-N 1 0 379.460 3.977 20 30 GHEDRO CC(C)COc1ccc(C(C)(C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000538217088 879033472 /nfs/dbraw/zinc/03/34/72/879033472.db2.gz ZLQBSJBLLXQPQE-HXUWFJFHSA-N 1 0 382.504 3.858 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(COc2cccc(C#N)c2)n1 ZINC000761548495 879285323 /nfs/dbraw/zinc/28/53/23/879285323.db2.gz XSPLKDDXIXZMCR-UHFFFAOYSA-N 1 0 392.459 3.908 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180816904 879375553 /nfs/dbraw/zinc/37/55/53/879375553.db2.gz DCKQIMHWSKLULQ-BBXQPJIDSA-N 1 0 386.517 3.964 20 30 GHEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CC(=O)Nc1sccc1C#N ZINC000538389636 879404612 /nfs/dbraw/zinc/40/46/12/879404612.db2.gz IYQYUMPFHSQGBF-MRXNPFEDSA-N 1 0 375.469 3.781 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000914340755 879659636 /nfs/dbraw/zinc/65/96/36/879659636.db2.gz CDQMUPRXMDYODF-INIZCTEOSA-N 1 0 382.533 3.576 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC001183379012 912494161 /nfs/dbraw/zinc/49/41/61/912494161.db2.gz IAMLJWSSSZHZFN-HSZRJFAPSA-N 1 0 398.551 3.717 20 30 GHEDRO C=C(C)COCC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000494011474 879823169 /nfs/dbraw/zinc/82/31/69/879823169.db2.gz JKWGGTWRVSEZNR-HXUWFJFHSA-N 1 0 377.481 3.501 20 30 GHEDRO CC(C)CO[C@@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247014717 879885121 /nfs/dbraw/zinc/88/51/21/879885121.db2.gz DGDZUAUHQQBLMZ-IAGOWNOFSA-N 1 0 375.538 3.624 20 30 GHEDRO COc1cccc([C@H](CNc2c(C#N)cnc3c(C)cc(F)cc32)[NH+](C)C)c1 ZINC000461448425 879887164 /nfs/dbraw/zinc/88/71/64/879887164.db2.gz VFKKOVAUMZUGKS-FQEVSTJZSA-N 1 0 378.451 3.699 20 30 GHEDRO C=CC[C@@]1(C(=O)NCCC2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790676683 879904960 /nfs/dbraw/zinc/90/49/60/879904960.db2.gz MQKVVTVVBSMGKY-QFIPXVFZSA-N 1 0 393.572 3.570 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3ccccc3F)C2)c(F)c1 ZINC000531530366 880032730 /nfs/dbraw/zinc/03/27/30/880032730.db2.gz NPQKSZFYCZLITC-QGZVFWFLSA-N 1 0 393.441 3.985 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)c(Br)c1 ZINC000475680818 880117623 /nfs/dbraw/zinc/11/76/23/880117623.db2.gz RPVPRVORMASTGJ-FQEVSTJZSA-N 1 0 385.305 3.890 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1=S ZINC000795700200 912537378 /nfs/dbraw/zinc/53/73/78/912537378.db2.gz HWAXYHWRUWRPTQ-PKOBYXMFSA-N 1 0 398.580 3.568 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)o2)cc1 ZINC000286030001 912543630 /nfs/dbraw/zinc/54/36/30/912543630.db2.gz KCNPUXKQXSECNG-RBUKOAKNSA-N 1 0 396.397 3.976 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3ccc(CC#N)c(C)c3)nc3ccc(C)cc3n12 ZINC001170150385 880273379 /nfs/dbraw/zinc/27/33/79/880273379.db2.gz VNUPVTIQSZLMNJ-UHFFFAOYSA-N 1 0 384.487 3.971 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000113357773 880521614 /nfs/dbraw/zinc/52/16/14/880521614.db2.gz BLNNCIPDPKNKPB-SJORKVTESA-N 1 0 397.494 3.928 20 30 GHEDRO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000185624416 880638738 /nfs/dbraw/zinc/63/87/38/880638738.db2.gz BMGIPFGRRWTBIA-HXUWFJFHSA-N 1 0 392.547 3.987 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1=S ZINC000795708666 912591066 /nfs/dbraw/zinc/59/10/66/912591066.db2.gz VUAUGJAQTVLCMT-AZUAARDMSA-N 1 0 397.592 3.707 20 30 GHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453424837 880922268 /nfs/dbraw/zinc/92/22/68/880922268.db2.gz KQTIYZNSYPNHTL-ZWKOTPCHSA-N 1 0 389.588 3.898 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000453470642 880981953 /nfs/dbraw/zinc/98/19/53/880981953.db2.gz QOSDSDNNYBJNEW-HXUWFJFHSA-N 1 0 395.551 3.807 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1 ZINC000532048352 881000144 /nfs/dbraw/zinc/00/01/44/881000144.db2.gz ZQVIEALELIUMTB-JOCHJYFZSA-N 1 0 391.515 3.692 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000856169300 881005164 /nfs/dbraw/zinc/00/51/64/881005164.db2.gz KNKRBDVBCLKERV-LJQANCHMSA-N 1 0 377.463 3.729 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000113970601 881017919 /nfs/dbraw/zinc/01/79/19/881017919.db2.gz XWGOZUJSXZMKST-WSTZPKSXSA-N 1 0 386.540 3.535 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000113974284 881019970 /nfs/dbraw/zinc/01/99/70/881019970.db2.gz LDMOIHUHXMNQBJ-IFMALSPDSA-N 1 0 394.519 3.778 20 30 GHEDRO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(O)c1Br)CC2 ZINC001275211153 912639967 /nfs/dbraw/zinc/63/99/67/912639967.db2.gz ZNDBONBPRVCAPN-UHFFFAOYSA-N 1 0 393.325 3.545 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001275213347 912657992 /nfs/dbraw/zinc/65/79/92/912657992.db2.gz RYYLTAYMPXEPAE-HUUCEWRRSA-N 1 0 388.817 3.990 20 30 GHEDRO C=CCC[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000188851611 881309110 /nfs/dbraw/zinc/30/91/10/881309110.db2.gz VVQHHRHBRAATQM-KORDQABASA-N 1 0 381.564 3.506 20 30 GHEDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(OCC#N)cc3)CC2)cc1 ZINC000181667588 883171276 /nfs/dbraw/zinc/17/12/76/883171276.db2.gz TWITWAGXKFUWPV-GOSISDBHSA-N 1 0 377.488 3.853 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCO2 ZINC000609574394 883357126 /nfs/dbraw/zinc/35/71/26/883357126.db2.gz TUFMTXMUOGSMNZ-NEPJUHHUSA-N 1 0 383.473 3.515 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000609574396 883357276 /nfs/dbraw/zinc/35/72/76/883357276.db2.gz TUFMTXMUOGSMNZ-RYUDHWBXSA-N 1 0 383.473 3.515 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000805029486 883541993 /nfs/dbraw/zinc/54/19/93/883541993.db2.gz QKAMSGQFKGNEEI-NHCUHLMSSA-N 1 0 395.572 3.894 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000859119939 883600035 /nfs/dbraw/zinc/60/00/35/883600035.db2.gz YIRJYZXHZBTNQG-UHFFFAOYSA-N 1 0 385.508 3.658 20 30 GHEDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000609779092 883671997 /nfs/dbraw/zinc/67/19/97/883671997.db2.gz QCXXHQMSCTYODA-AFVILVPDSA-N 1 0 396.535 3.516 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC000859246242 883692054 /nfs/dbraw/zinc/69/20/54/883692054.db2.gz PCFQLYNZDDOKFU-AEFFLSMTSA-N 1 0 382.426 3.566 20 30 GHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000609852303 883730919 /nfs/dbraw/zinc/73/09/19/883730919.db2.gz AOQDGIFJIMLWON-UHFFFAOYSA-N 1 0 381.476 3.772 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859724902 884015093 /nfs/dbraw/zinc/01/50/93/884015093.db2.gz BOKSLRXSIKODLH-NRFANRHFSA-N 1 0 375.516 3.816 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1C#N)C2 ZINC000805794655 884078521 /nfs/dbraw/zinc/07/85/21/884078521.db2.gz YLOAPGZVKXSPFU-JOCHJYFZSA-N 1 0 385.508 3.660 20 30 GHEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(-n2cc(Cl)cn2)n1 ZINC000191530393 884196690 /nfs/dbraw/zinc/19/66/90/884196690.db2.gz YNQOJBUUOXQWIB-OAHLLOKOSA-N 1 0 381.867 3.982 20 30 GHEDRO N#C[C@H](COC(=O)C1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000805932603 884231812 /nfs/dbraw/zinc/23/18/12/884231812.db2.gz WZNXLWSYGAPNOL-OAHLLOKOSA-N 1 0 391.309 3.549 20 30 GHEDRO COc1cccc([C@H](O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000860140045 884358942 /nfs/dbraw/zinc/35/89/42/884358942.db2.gz CAWCFYQETRIBIZ-HSZRJFAPSA-N 1 0 380.488 3.781 20 30 GHEDRO COc1cccc([C@@H](O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000860140048 884359007 /nfs/dbraw/zinc/35/90/07/884359007.db2.gz CAWCFYQETRIBIZ-QHCPKHFHSA-N 1 0 380.488 3.781 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)ccc1OC ZINC000806147520 884406556 /nfs/dbraw/zinc/40/65/56/884406556.db2.gz XXHHMNIWANNJDG-JXFKEZNVSA-N 1 0 391.475 3.808 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)nc2)CC1 ZINC000476335256 884429462 /nfs/dbraw/zinc/42/94/62/884429462.db2.gz KRSSBJYDEKSQOP-IBGZPJMESA-N 1 0 391.519 3.638 20 30 GHEDRO CC(C)(S)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183794611 912824053 /nfs/dbraw/zinc/82/40/53/912824053.db2.gz NVPFYENHNXUIMQ-UXHICEINSA-N 1 0 386.536 3.866 20 30 GHEDRO CCN(C(=O)CNc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000495059386 884463840 /nfs/dbraw/zinc/46/38/40/884463840.db2.gz NGBXAYFTCQMHGU-GCJKJVERSA-N 1 0 376.504 3.654 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2nncc3ccccc32)c1C ZINC000914693427 884526109 /nfs/dbraw/zinc/52/61/09/884526109.db2.gz VSUFXOYZOJSQQE-FQEVSTJZSA-N 1 0 376.508 3.978 20 30 GHEDRO N#Cc1ccc(C2(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)CCCC2)cc1 ZINC000860301692 884543702 /nfs/dbraw/zinc/54/37/02/884543702.db2.gz KIIMUAQUCBNRDJ-DENIHFKCSA-N 1 0 377.532 3.845 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2ncsc2c1 ZINC000194792325 884581794 /nfs/dbraw/zinc/58/17/94/884581794.db2.gz YMAJBZGWYYFLOZ-UHFFFAOYSA-N 1 0 379.489 3.764 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1C ZINC000498551630 884811473 /nfs/dbraw/zinc/81/14/73/884811473.db2.gz XWQQERWRHPPINN-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000103233069 884886119 /nfs/dbraw/zinc/88/61/19/884886119.db2.gz GOAMKVGIAAVFJO-KRWDZBQOSA-N 1 0 382.895 3.898 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000556436650 884918071 /nfs/dbraw/zinc/91/80/71/884918071.db2.gz ZJXVFAAEEXVGQZ-FQEVSTJZSA-N 1 0 395.551 3.841 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000106036484 884936214 /nfs/dbraw/zinc/93/62/14/884936214.db2.gz NCGHKLJXYCUTCW-UHFFFAOYSA-N 1 0 383.536 3.976 20 30 GHEDRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)c1 ZINC000106066403 884981658 /nfs/dbraw/zinc/98/16/58/884981658.db2.gz SJMRCFCVYZTNDB-UHFFFAOYSA-N 1 0 381.524 3.827 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CCOc2ccccc2F)c1 ZINC000016422793 885007120 /nfs/dbraw/zinc/00/71/20/885007120.db2.gz IYAPHZDPWFTGEV-UHFFFAOYSA-N 1 0 383.467 3.700 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC(=O)Nc1ccccc1C#N ZINC000103474944 885024256 /nfs/dbraw/zinc/02/42/56/885024256.db2.gz MCZRGNCRPQXPFN-UHFFFAOYSA-N 1 0 387.487 3.842 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(Br)c3)CC2)C1=O ZINC001275268733 912896758 /nfs/dbraw/zinc/89/67/58/912896758.db2.gz KEQBJLCMKRIIPF-LJQANCHMSA-N 1 0 377.326 3.840 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106752462 885154691 /nfs/dbraw/zinc/15/46/91/885154691.db2.gz LWAMTMMLVAYMQX-UHFFFAOYSA-N 1 0 394.450 3.797 20 30 GHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460385313 885207292 /nfs/dbraw/zinc/20/72/92/885207292.db2.gz DYHGTZAHDIKYFV-SFHVURJKSA-N 1 0 377.492 3.825 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1csc2ccccc12)C(C)C ZINC000495318707 885262346 /nfs/dbraw/zinc/26/23/46/885262346.db2.gz DHACQIAIVZLTKU-SFHVURJKSA-N 1 0 385.533 3.655 20 30 GHEDRO C#CC[C@@H](CCOC)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000861184588 885306158 /nfs/dbraw/zinc/30/61/58/885306158.db2.gz FNRLJZJDNVAKMJ-SFHVURJKSA-N 1 0 389.565 3.815 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)CCOC(C)(C)C)c1C#N ZINC000610859758 885350837 /nfs/dbraw/zinc/35/08/37/885350837.db2.gz LJGMMAONCWCDDC-UHFFFAOYSA-N 1 0 396.535 3.710 20 30 GHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000537570028 885439547 /nfs/dbraw/zinc/43/95/47/885439547.db2.gz XXUGEWMBHIJMLF-UHFFFAOYSA-N 1 0 381.395 3.605 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1OC ZINC000807704116 885615668 /nfs/dbraw/zinc/61/56/68/885615668.db2.gz TYXHTPGHYFFXQH-NBSXQYNISA-N 1 0 398.478 3.831 20 30 GHEDRO C#Cc1ccc(-c2nc(-c3ccc(N4CCC[N@@H+](C)CC4)c(Cl)c3)no2)cn1 ZINC000762246910 885861367 /nfs/dbraw/zinc/86/13/67/885861367.db2.gz JMYPWEYKCBHLSA-UHFFFAOYSA-N 1 0 393.878 3.575 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000556692495 885917862 /nfs/dbraw/zinc/91/78/62/885917862.db2.gz LCRASDSXHNDIOV-MOPGFXCFSA-N 1 0 375.497 3.909 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)/C=C/c3ccccc3C#N)C2)s1 ZINC000808060969 885962721 /nfs/dbraw/zinc/96/27/21/885962721.db2.gz SEQLQUANPWAGKF-LNENJAERSA-N 1 0 379.529 3.922 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001168208174 886040590 /nfs/dbraw/zinc/04/05/90/886040590.db2.gz KJFSLIBFZSKGOP-XXBNENTESA-N 1 0 375.516 3.837 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000762365048 886082780 /nfs/dbraw/zinc/08/27/80/886082780.db2.gz JOKZTJXSVOQEBZ-UHFFFAOYSA-N 1 0 378.438 3.757 20 30 GHEDRO CC1(C)CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000532558236 886110972 /nfs/dbraw/zinc/11/09/72/886110972.db2.gz GDGYCICDOUUQKY-UHFFFAOYSA-N 1 0 382.533 3.545 20 30 GHEDRO C#C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000862140986 886153809 /nfs/dbraw/zinc/15/38/09/886153809.db2.gz FPUUFLRQVJYHGL-CEWLAPEOSA-N 1 0 378.541 3.836 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccco1 ZINC000556892456 886521946 /nfs/dbraw/zinc/52/19/46/886521946.db2.gz NIELYJCIRIAXAY-KRWDZBQOSA-N 1 0 378.469 3.756 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000862690985 886542785 /nfs/dbraw/zinc/54/27/85/886542785.db2.gz ODMXAVGXFPLAAT-LJQANCHMSA-N 1 0 382.895 3.589 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1C#N ZINC000808708761 886693153 /nfs/dbraw/zinc/69/31/53/886693153.db2.gz PUUUAPQPUGOENP-LJQANCHMSA-N 1 0 379.460 3.710 20 30 GHEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C2CC2)cc1 ZINC000193613594 886981398 /nfs/dbraw/zinc/98/13/98/886981398.db2.gz QKBDMYLGMKUGII-UHFFFAOYSA-N 1 0 389.499 3.724 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000729627475 887023065 /nfs/dbraw/zinc/02/30/65/887023065.db2.gz NLTHXMIHBSJAEP-OAQYLSRUSA-N 1 0 380.536 3.918 20 30 GHEDRO C=CCn1c2ccccc2n(CN2CCC(C)([NH+]3CCOCC3)CC2)c1=S ZINC000863314214 887025348 /nfs/dbraw/zinc/02/53/48/887025348.db2.gz CRFFMGMVKIQOMD-UHFFFAOYSA-N 1 0 386.565 3.502 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2SCc2c(C)noc2C)CC1 ZINC000171719699 887053460 /nfs/dbraw/zinc/05/34/60/887053460.db2.gz CTLQWDXJYFCKPZ-UHFFFAOYSA-N 1 0 385.533 3.964 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000863390983 887081875 /nfs/dbraw/zinc/08/18/75/887081875.db2.gz NYDSQBXNAPGOFO-KNQAVFIVSA-N 1 0 380.488 3.701 20 30 GHEDRO C=C(CC(=O)OCCCC)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001184313095 913121441 /nfs/dbraw/zinc/12/14/41/913121441.db2.gz GHTVXRJZNCGRAP-WGSAOQKQSA-N 1 0 390.499 3.714 20 30 GHEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H](O)c1ccccc1 ZINC000794607380 887659285 /nfs/dbraw/zinc/65/92/85/887659285.db2.gz USKHOQCGCLYXGI-BULFRSBZSA-N 1 0 397.494 3.809 20 30 GHEDRO COc1ccc(C[NH2+]CCN2CCc3ccccc3C2)cc1OCCCC#N ZINC000119993137 887702953 /nfs/dbraw/zinc/70/29/53/887702953.db2.gz KCQJRSWKKXSTES-UHFFFAOYSA-N 1 0 379.504 3.526 20 30 GHEDRO C[NH+]=C(NCc1ccc(Cl)s1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000179133072 887910955 /nfs/dbraw/zinc/91/09/55/887910955.db2.gz JCYDRSXAMJJUID-HNNXBMFYSA-N 1 0 385.961 3.527 20 30 GHEDRO FC(F)Oc1ccccc1C=NOC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000809991159 888046154 /nfs/dbraw/zinc/04/61/54/888046154.db2.gz YDMLJKHPRRAWPU-IBGZPJMESA-N 1 0 390.430 3.930 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC000865013187 888135864 /nfs/dbraw/zinc/13/58/64/888135864.db2.gz LSEIVGCCKKDICU-UHFFFAOYSA-N 1 0 386.883 3.835 20 30 GHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2coc(C#N)c2)CC1 ZINC000865032461 888148832 /nfs/dbraw/zinc/14/88/32/888148832.db2.gz BXZRPZNCOSSWST-UHFFFAOYSA-N 1 0 391.393 3.907 20 30 GHEDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000794811067 888163009 /nfs/dbraw/zinc/16/30/09/888163009.db2.gz XXVADFUAMDUZFP-NRFANRHFSA-N 1 0 384.863 3.559 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(N2CCCCC2=O)cc1 ZINC000810130001 888196218 /nfs/dbraw/zinc/19/62/18/888196218.db2.gz XNRGMSXKYKUCFU-SJORKVTESA-N 1 0 390.487 3.753 20 30 GHEDRO N#CC1CCC(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000287270303 913228367 /nfs/dbraw/zinc/22/83/67/913228367.db2.gz SJILSJTWGKPFCI-YABDQXBESA-N 1 0 380.536 3.624 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000122806793 888404821 /nfs/dbraw/zinc/40/48/21/888404821.db2.gz WYXOVCAEEBUWFG-ZZXKWVIFSA-N 1 0 376.460 3.688 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)c1cc(C#N)ccc1Cl)[NH+]1CCCC1 ZINC000503497365 888487560 /nfs/dbraw/zinc/48/75/60/888487560.db2.gz FPYYIMZZLMZORI-IBGZPJMESA-N 1 0 383.879 3.787 20 30 GHEDRO C#Cc1ccccc1CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000810420948 888487854 /nfs/dbraw/zinc/48/78/54/888487854.db2.gz RRSOSQCTBKRITC-UHFFFAOYSA-N 1 0 396.918 3.523 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnc(-c4ccccc4)nc3)CC2)nc1 ZINC000536637583 888509581 /nfs/dbraw/zinc/50/95/81/888509581.db2.gz REHVBCOBKYGDIG-UHFFFAOYSA-N 1 0 385.471 3.890 20 30 GHEDRO COc1ccccc1N1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000865693423 888519785 /nfs/dbraw/zinc/51/97/85/888519785.db2.gz LWKDBNSFNHVDJL-UHFFFAOYSA-N 1 0 390.531 3.794 20 30 GHEDRO N#Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4sccc4Cl)C3)C2=O)c1 ZINC001275315113 913264885 /nfs/dbraw/zinc/26/48/85/913264885.db2.gz PRPVCDFOQHNOIW-FQEVSTJZSA-N 1 0 385.920 3.898 20 30 GHEDRO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc(OC)c1OC ZINC000866444794 888881628 /nfs/dbraw/zinc/88/16/28/888881628.db2.gz DPAKGRJEJSGAML-MRXNPFEDSA-N 1 0 395.503 3.904 20 30 GHEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000916306984 888909571 /nfs/dbraw/zinc/90/95/71/888909571.db2.gz KXKXEJGSCCOSPD-UHFFFAOYSA-N 1 0 384.524 3.678 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2cccc(C#N)c2)C1 ZINC000916387394 888953160 /nfs/dbraw/zinc/95/31/60/888953160.db2.gz NJDFJXUURLXMEI-RTBURBONSA-N 1 0 391.515 3.731 20 30 GHEDRO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000866617097 888970294 /nfs/dbraw/zinc/97/02/94/888970294.db2.gz DXYDPGASWFNEJL-KSSFIOAISA-N 1 0 378.476 3.540 20 30 GHEDRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000154041870 889097866 /nfs/dbraw/zinc/09/78/66/889097866.db2.gz IXSNHFKXMBZKPN-UHFFFAOYSA-N 1 0 397.422 3.748 20 30 GHEDRO N#Cc1ccc(NC(=S)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000795003094 889368690 /nfs/dbraw/zinc/36/86/90/889368690.db2.gz FUBDUNRRLBXJHD-HDICACEKSA-N 1 0 396.947 3.972 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H](O)c1ccc2c(c1)OCO2 ZINC000811496593 889649529 /nfs/dbraw/zinc/64/95/29/889649529.db2.gz FUIVQMOMHLSRFO-VOJFVSQTSA-N 1 0 378.350 3.517 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@@H]2C1 ZINC000811501846 889694467 /nfs/dbraw/zinc/69/44/67/889694467.db2.gz ZVTYRQBODXTLEV-IYBDPMFKSA-N 1 0 395.425 3.876 20 30 GHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000173592258 889779743 /nfs/dbraw/zinc/77/97/43/889779743.db2.gz RFPYMJNFJUWWBK-GOSISDBHSA-N 1 0 381.476 3.534 20 30 GHEDRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000811708471 889884447 /nfs/dbraw/zinc/88/44/47/889884447.db2.gz ZKGWZVUCPYWHMR-UHFFFAOYSA-N 1 0 383.521 3.620 20 30 GHEDRO Cc1noc2nc(-c3ccccc3)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c12 ZINC000064361298 889918448 /nfs/dbraw/zinc/91/84/48/889918448.db2.gz KUXHXMMCKOZQFX-UHFFFAOYSA-N 1 0 391.475 3.506 20 30 GHEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000811886149 890087471 /nfs/dbraw/zinc/08/74/71/890087471.db2.gz AGPAVPOWBOWWBD-FQEVSTJZSA-N 1 0 394.494 3.799 20 30 GHEDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533284841 890186756 /nfs/dbraw/zinc/18/67/56/890186756.db2.gz DCHIOLXQHAAZHT-HSZRJFAPSA-N 1 0 390.531 3.680 20 30 GHEDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000533294283 890213257 /nfs/dbraw/zinc/21/32/57/890213257.db2.gz RVJOKJFRQOUITR-MRXNPFEDSA-N 1 0 397.544 3.710 20 30 GHEDRO N#Cc1c(Cl)cc(C(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)nc1Cl ZINC001184800644 913441248 /nfs/dbraw/zinc/44/12/48/913441248.db2.gz ATBLVJVXAIGCKF-UHFFFAOYSA-N 1 0 387.270 3.542 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000871099211 890642981 /nfs/dbraw/zinc/64/29/81/890642981.db2.gz QIFGUVCRPRSJKP-AZUAARDMSA-N 1 0 388.519 3.600 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)c2ncc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000533578043 890885291 /nfs/dbraw/zinc/88/52/91/890885291.db2.gz NJKGLFGPMWQMFR-WBVHZDCISA-N 1 0 382.895 3.637 20 30 GHEDRO C=C(Cl)C[C@@H](N)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000872177393 891200108 /nfs/dbraw/zinc/20/01/08/891200108.db2.gz IUAWYRHHWOMYJN-OAHLLOKOSA-N 1 0 396.322 3.674 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278455 891224537 /nfs/dbraw/zinc/22/45/37/891224537.db2.gz QQHZCPXJDHMDMK-UWJYYQICSA-N 1 0 387.499 3.884 20 30 GHEDRO C=CCn1c(-c2ccncc2)nn(CN2CCC(C)([NH+]3CCCC3)CC2)c1=S ZINC000872644390 891294486 /nfs/dbraw/zinc/29/44/86/891294486.db2.gz HOEVKKFZYHYKKD-UHFFFAOYSA-N 1 0 398.580 3.570 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1=S ZINC000872724728 891314914 /nfs/dbraw/zinc/31/49/14/891314914.db2.gz LDMBNCNKGNSETC-OALUTQOASA-N 1 0 383.565 3.559 20 30 GHEDRO C=CC[N@@H+](CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1)C(C)C ZINC000917167165 891518521 /nfs/dbraw/zinc/51/85/21/891518521.db2.gz YDWIUOOSPOVPQY-UHFFFAOYSA-N 1 0 382.504 3.806 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137069518 891548609 /nfs/dbraw/zinc/54/86/09/891548609.db2.gz BDGVBYRCEMLOHV-UHFFFAOYSA-N 1 0 381.476 3.803 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000873303274 891568424 /nfs/dbraw/zinc/56/84/24/891568424.db2.gz HMIAHVAAVLKXGY-UWJYYQICSA-N 1 0 398.551 3.754 20 30 GHEDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000191847449 891569715 /nfs/dbraw/zinc/56/97/15/891569715.db2.gz PMLBHZHWCFHZSS-UZLBHIALSA-N 1 0 398.551 3.524 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873310088 891575515 /nfs/dbraw/zinc/57/55/15/891575515.db2.gz NDUPQAROPYKDII-CRAIPNDOSA-N 1 0 380.517 3.917 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000179221824 891623682 /nfs/dbraw/zinc/62/36/82/891623682.db2.gz POTRLMFNONMJKA-ORAYPTAESA-N 1 0 387.842 3.838 20 30 GHEDRO COCC1(C#N)CCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000497459610 891657945 /nfs/dbraw/zinc/65/79/45/891657945.db2.gz IDDYXUDJZDLOPW-LJQANCHMSA-N 1 0 398.551 3.612 20 30 GHEDRO OC1(c2cccc(OC(F)(F)F)c2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000801543718 921117441 /nfs/dbraw/zinc/11/74/41/921117441.db2.gz KDHQFJWXJQYLIH-UHFFFAOYSA-N 1 0 375.390 3.920 20 30 GHEDRO Cc1cn2c(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)c(C)nc2s1 ZINC000614993314 891703721 /nfs/dbraw/zinc/70/37/21/891703721.db2.gz ABGFLKTXXOESSI-UHFFFAOYSA-N 1 0 381.505 3.759 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1C#N ZINC000888227847 891712694 /nfs/dbraw/zinc/71/26/94/891712694.db2.gz URUCBIFYXLZEDS-OAHLLOKOSA-N 1 0 390.553 3.682 20 30 GHEDRO CC(C)(C)c1csc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1C#N ZINC000888227845 891713156 /nfs/dbraw/zinc/71/31/56/891713156.db2.gz URUCBIFYXLZEDS-HNNXBMFYSA-N 1 0 390.553 3.682 20 30 GHEDRO C=CC[N@@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccc(Cl)s1 ZINC000813694404 891854947 /nfs/dbraw/zinc/85/49/47/891854947.db2.gz QXZOPNICWQWLQB-UHFFFAOYSA-N 1 0 383.926 3.579 20 30 GHEDRO Cc1ncc(CO)c(/C=N\Cc2ccccc2C[N@@H+](C)C2CCCCC2)c1O ZINC000917557646 892207465 /nfs/dbraw/zinc/20/74/65/892207465.db2.gz DZIADGOUQUQZAW-OYKKKHCWSA-N 1 0 381.520 3.972 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262306453 892259108 /nfs/dbraw/zinc/25/91/08/892259108.db2.gz BIUGLPSOTFFWGF-FUUYNRHESA-N 1 0 381.520 3.593 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)o1 ZINC000814176648 892335048 /nfs/dbraw/zinc/33/50/48/892335048.db2.gz TWWGYNHTROGLQO-NHCUHLMSSA-N 1 0 379.460 3.678 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1OC ZINC000814161603 892355805 /nfs/dbraw/zinc/35/58/05/892355805.db2.gz TYTLXSWTANQYIF-LECLMCCNSA-N 1 0 384.520 3.606 20 30 GHEDRO C[N@H+](CCc1cccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1)C1CC1 ZINC000497775962 892386482 /nfs/dbraw/zinc/38/64/82/892386482.db2.gz PCAUVYCENOVJSU-UHFFFAOYSA-N 1 0 388.393 3.861 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000170684802 892405060 /nfs/dbraw/zinc/40/50/60/892405060.db2.gz BFPRJCMTLZKDOH-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 ZINC000154507254 892493663 /nfs/dbraw/zinc/49/36/63/892493663.db2.gz ZDMOUGLKHCANCJ-ZDUSSCGKSA-O 1 0 392.495 3.645 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000497819161 892498829 /nfs/dbraw/zinc/49/88/29/892498829.db2.gz YWNKEVKEKQHWLV-DENIHFKCSA-N 1 0 381.520 3.930 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000875237752 892505196 /nfs/dbraw/zinc/50/51/96/892505196.db2.gz AIWRKPCSPUAJMF-NVXWUHKLSA-N 1 0 382.430 3.581 20 30 GHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C)cc1 ZINC000154528977 892573355 /nfs/dbraw/zinc/57/33/55/892573355.db2.gz NUOJFBRZVBFFCI-OAHLLOKOSA-O 1 0 386.497 3.826 20 30 GHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645106135 913678516 /nfs/dbraw/zinc/67/85/16/913678516.db2.gz JYBMSCAYICCCMK-YOEHRIQHSA-N 1 0 382.426 3.874 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC001170744863 892629287 /nfs/dbraw/zinc/62/92/87/892629287.db2.gz MXPUEHZERNYFHV-OAQYLSRUSA-N 1 0 384.568 3.910 20 30 GHEDRO C#C[C@H](NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000825802362 892709323 /nfs/dbraw/zinc/70/93/23/892709323.db2.gz AFPOVJXNQUXEFB-QHCPKHFHSA-N 1 0 391.515 3.581 20 30 GHEDRO OC[C@H](CC(F)F)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000428638831 892978562 /nfs/dbraw/zinc/97/85/62/892978562.db2.gz HAECSGPQSFXBRW-JOYOIKCWSA-N 1 0 381.263 3.664 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508738462 893042217 /nfs/dbraw/zinc/04/22/17/893042217.db2.gz GCNLKWGUKYUQTE-KRWDZBQOSA-N 1 0 378.524 3.781 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ncc(Cl)s3)C[C@@H]2c2ccccc2)C1=O ZINC001137106447 893095523 /nfs/dbraw/zinc/09/55/23/893095523.db2.gz GZENAKKQFAZQKT-UZLBHIALSA-N 1 0 387.936 3.801 20 30 GHEDRO COc1cc(NC(=O)CC[N@H+](C)Cc2cc(C#N)cs2)c(OC)cc1Cl ZINC000933774494 893209115 /nfs/dbraw/zinc/20/91/15/893209115.db2.gz SBZIULFBYBLHSJ-UHFFFAOYSA-N 1 0 393.896 3.751 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000876637865 893268189 /nfs/dbraw/zinc/26/81/89/893268189.db2.gz UFYPPPCIKCYKIN-KGLIPLIRSA-N 1 0 387.705 3.591 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C1CCN(CC(F)(F)F)CC1 ZINC000815111437 893439988 /nfs/dbraw/zinc/43/99/88/893439988.db2.gz VVLHOHQNCKLCET-ZDUSSCGKSA-N 1 0 389.849 3.995 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(Cc3cccnc3)CC2)c1C ZINC000536698721 893571927 /nfs/dbraw/zinc/57/19/27/893571927.db2.gz MQIXXUXGMKVKHV-UHFFFAOYSA-N 1 0 390.531 3.900 20 30 GHEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000498207135 893572318 /nfs/dbraw/zinc/57/23/18/893572318.db2.gz AGFGMESJXPJGMB-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000877610776 893718025 /nfs/dbraw/zinc/71/80/25/893718025.db2.gz YLAGUOYLNLYNRZ-YDZRNGNQSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C1(CO)CCCC1 ZINC000459535739 893756006 /nfs/dbraw/zinc/75/60/06/893756006.db2.gz RSVJYERFGNVIEZ-FQEVSTJZSA-N 1 0 391.943 3.754 20 30 GHEDRO COc1ccc(CN2CCc3cccc(NC(C)=O)c3C2)cc1OCCCC#N ZINC000877680893 893758432 /nfs/dbraw/zinc/75/84/32/893758432.db2.gz BMZZBOVOIKNSGM-UHFFFAOYSA-N 1 0 393.487 3.894 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000877760983 893799776 /nfs/dbraw/zinc/79/97/76/893799776.db2.gz PRLRANAJNPBMBE-GQAVTEOGSA-N 1 0 375.310 3.776 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000556123200 893813512 /nfs/dbraw/zinc/81/35/12/893813512.db2.gz MAADPCZZEVDBJI-GKCIPKSASA-N 1 0 382.895 3.574 20 30 GHEDRO Cc1nsc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1C#N ZINC000459568247 893835695 /nfs/dbraw/zinc/83/56/95/893835695.db2.gz LBLOBSXLPIXLTR-QGZVFWFLSA-N 1 0 387.509 3.535 20 30 GHEDRO OC[C@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@H]1C(F)(F)F ZINC000563571155 893916980 /nfs/dbraw/zinc/91/69/80/893916980.db2.gz LGABTVOESHEHFT-VXGBXAGGSA-N 1 0 389.311 3.760 20 30 GHEDRO FC(F)C(F)(F)COCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459671264 894038997 /nfs/dbraw/zinc/03/89/97/894038997.db2.gz WGIVKNLINBYBNB-LLVKDONJSA-N 1 0 381.332 3.584 20 30 GHEDRO C#CC[N@H+](C)CCCN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000815652197 894096007 /nfs/dbraw/zinc/09/60/07/894096007.db2.gz UAZQSNNMSBFJPZ-GOSISDBHSA-N 1 0 379.273 3.815 20 30 GHEDRO CC(=O)CCN(CC[NH2+]C#C[Si](C)(C)C)c1nc2cc(Cl)ccc2o1 ZINC001170797755 894126057 /nfs/dbraw/zinc/12/60/57/894126057.db2.gz GQMGGSDNSXJVLX-UHFFFAOYSA-N 1 0 377.948 3.695 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000459791185 894204220 /nfs/dbraw/zinc/20/42/20/894204220.db2.gz SRYCHXFQOMKWBD-DYXWJJEUSA-N 1 0 376.504 3.742 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000537059426 894251596 /nfs/dbraw/zinc/25/15/96/894251596.db2.gz ICQAPCAMERVGNU-AZUAARDMSA-N 1 0 377.488 3.691 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000537048184 894265827 /nfs/dbraw/zinc/26/58/27/894265827.db2.gz QVZYEZPORRGJKR-MRXNPFEDSA-N 1 0 385.405 3.710 20 30 GHEDRO N#CC1(CC(=O)O[C@H]2CCC[C@@H]2[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000815964838 894339829 /nfs/dbraw/zinc/33/98/29/894339829.db2.gz UCBJFLLHOJDDGD-OALUTQOASA-N 1 0 387.911 3.620 20 30 GHEDRO N#Cc1cc(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000816011986 894367511 /nfs/dbraw/zinc/36/75/11/894367511.db2.gz DYOVMGWRSFFDSR-QGZVFWFLSA-N 1 0 389.377 3.793 20 30 GHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000537141442 894401585 /nfs/dbraw/zinc/40/15/85/894401585.db2.gz VTMUKWVCWZWKPH-ZDUSSCGKSA-N 1 0 382.407 3.702 20 30 GHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(CC)cc1 ZINC000022797690 894408356 /nfs/dbraw/zinc/40/83/56/894408356.db2.gz BVYAXJZPLOWRRO-UHFFFAOYSA-O 1 0 375.464 3.919 20 30 GHEDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CCC(=O)N(C)CCC#N)c1 ZINC000537156924 894428595 /nfs/dbraw/zinc/42/85/95/894428595.db2.gz FUBSKYTXQXYUKJ-QHCPKHFHSA-N 1 0 393.531 3.948 20 30 GHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccccc1CC ZINC000022804146 894451851 /nfs/dbraw/zinc/45/18/51/894451851.db2.gz APUFOMZFGMYLFI-UHFFFAOYSA-O 1 0 386.541 3.622 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000564078671 894555152 /nfs/dbraw/zinc/55/51/52/894555152.db2.gz VQQXTPPYVWQFHH-MOXGXCLJSA-N 1 0 390.405 3.657 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000564091723 894581851 /nfs/dbraw/zinc/58/18/51/894581851.db2.gz CMTUMWIJLYCBLT-MOPGFXCFSA-N 1 0 378.369 3.972 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CCOCC1 ZINC000537220054 894585332 /nfs/dbraw/zinc/58/53/32/894585332.db2.gz MRBOYUQSFGDDEC-RDJZCZTQSA-N 1 0 375.538 3.814 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@H](C)C1 ZINC000127361785 894664302 /nfs/dbraw/zinc/66/43/02/894664302.db2.gz JMKWCIGKDVURAI-ZHRRBRCNSA-N 1 0 378.520 3.768 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC2(CC#N)CC2)CC[C@@H]1C(F)(F)F ZINC000879036483 894799190 /nfs/dbraw/zinc/79/91/90/894799190.db2.gz LGHFAESQGQNRRO-KBPBESRZSA-N 1 0 375.435 3.705 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000935882312 894883676 /nfs/dbraw/zinc/88/36/76/894883676.db2.gz JJPOIVIJFCLLPM-KRWDZBQOSA-N 1 0 383.517 3.531 20 30 GHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879408763 895038718 /nfs/dbraw/zinc/03/87/18/895038718.db2.gz YVBBDYKKILSNOX-YJBOKZPZSA-N 1 0 375.538 3.957 20 30 GHEDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000564851657 895283122 /nfs/dbraw/zinc/28/31/22/895283122.db2.gz OXKULJZBCQAPPX-UHFFFAOYSA-N 1 0 392.499 3.799 20 30 GHEDRO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000880382688 895678718 /nfs/dbraw/zinc/67/87/18/895678718.db2.gz UWDMLVBRAUQNRW-LJQANCHMSA-N 1 0 376.378 3.509 20 30 GHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCOC1 ZINC000880468736 895721780 /nfs/dbraw/zinc/72/17/80/895721780.db2.gz GIWIBCMZGSFCKJ-ULQDDVLXSA-N 1 0 375.538 3.672 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](C)c1c(C)noc1C ZINC000128478530 895737071 /nfs/dbraw/zinc/73/70/71/895737071.db2.gz PXMPXNAERYDZTL-LBPRGKRZSA-N 1 0 377.282 3.959 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)CC2 ZINC000565862681 895940997 /nfs/dbraw/zinc/94/09/97/895940997.db2.gz BJXAJAKCYSPHSI-OXQOHEQNSA-N 1 0 390.405 3.885 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccc(C#N)cc1 ZINC000881134320 896180851 /nfs/dbraw/zinc/18/08/51/896180851.db2.gz HYBJXJUXMPIZNI-JTSKRJEESA-N 1 0 389.503 3.725 20 30 GHEDRO Cc1cc(C)c(NC(=O)[C@@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000818613733 896217679 /nfs/dbraw/zinc/21/76/79/896217679.db2.gz YYBZNAQODREJNU-LJQANCHMSA-N 1 0 395.503 3.826 20 30 GHEDRO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000129055016 896361312 /nfs/dbraw/zinc/36/13/12/896361312.db2.gz POANRQQUEKJMNA-UHFFFAOYSA-N 1 0 390.531 3.693 20 30 GHEDRO N#Cc1ccc([C@H](O)C[NH2+]CCCc2ccc(Br)cc2F)cc1 ZINC000819083288 896366903 /nfs/dbraw/zinc/36/69/03/896366903.db2.gz YYYVRWGUGJFUBP-GOSISDBHSA-N 1 0 377.257 3.716 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000819068804 896385299 /nfs/dbraw/zinc/38/52/99/896385299.db2.gz SALQDYWEKLQUKU-MJGOQNOKSA-N 1 0 389.293 3.953 20 30 GHEDRO COc1cccc2cc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)oc21 ZINC000778548957 896507670 /nfs/dbraw/zinc/50/76/70/896507670.db2.gz OKEDJGLTGREHSC-LJQANCHMSA-N 1 0 375.428 3.598 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[NH+](C3CCC3)CC2)s1 ZINC000819282619 896527374 /nfs/dbraw/zinc/52/73/74/896527374.db2.gz JWYQRJXIDZBHJS-UHFFFAOYSA-N 1 0 385.986 3.535 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCOCC1 ZINC000819302899 896541244 /nfs/dbraw/zinc/54/12/44/896541244.db2.gz QKFNIBPPDQZIOG-UHFFFAOYSA-N 1 0 385.552 3.776 20 30 GHEDRO N#Cc1cccc(Oc2ccnc(NCC3([NH+]4CCCCC4)CCOCC3)n2)c1 ZINC000881996279 896603022 /nfs/dbraw/zinc/60/30/22/896603022.db2.gz OOAAXWXQORKFTJ-UHFFFAOYSA-N 1 0 393.491 3.588 20 30 GHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819367072 896641884 /nfs/dbraw/zinc/64/18/84/896641884.db2.gz CVWRFPWYKONKQT-LEWJYISDSA-N 1 0 388.552 3.771 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCC2(C)CC[NH+](C)CC2)s1 ZINC000819479582 896747198 /nfs/dbraw/zinc/74/71/98/896747198.db2.gz KAVLGIQHSVQIGJ-UHFFFAOYSA-N 1 0 388.002 3.687 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000882396130 896789062 /nfs/dbraw/zinc/78/90/62/896789062.db2.gz HSUAPXLYEIFCHC-RJGXRXQPSA-N 1 0 386.499 3.585 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CCC[NH+]2CCCC2)s1 ZINC000819521339 896808250 /nfs/dbraw/zinc/80/82/50/896808250.db2.gz FGFALAXOMFCZLX-UHFFFAOYSA-N 1 0 388.002 3.783 20 30 GHEDRO N#Cc1ccccc1OC1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000567345474 897080434 /nfs/dbraw/zinc/08/04/34/897080434.db2.gz JIZQCQYKSKKQBF-KBWCOIMZSA-N 1 0 398.478 3.555 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000778585712 897135911 /nfs/dbraw/zinc/13/59/11/897135911.db2.gz WGLSDVGAPUZECF-RDJZCZTQSA-N 1 0 390.524 3.864 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3ccccc3[nH]c1=O)[C@@H]2CC ZINC001137182893 897219513 /nfs/dbraw/zinc/21/95/13/897219513.db2.gz HGFCRBCZAWPNRV-OFNKIYASSA-N 1 0 379.504 3.862 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCN(Cc2ccsc2)CC1 ZINC000567661705 897320179 /nfs/dbraw/zinc/32/01/79/897320179.db2.gz VXUBXXWOKPQLNA-KRWDZBQOSA-N 1 0 389.594 3.806 20 30 GHEDRO C#C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000820470441 897346765 /nfs/dbraw/zinc/34/67/65/897346765.db2.gz XHWIAHZSXGTMTN-QGZVFWFLSA-N 1 0 385.405 3.558 20 30 GHEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000567837364 897435007 /nfs/dbraw/zinc/43/50/07/897435007.db2.gz AVKRFNUODQQHDJ-SFTDATJTSA-N 1 0 375.472 3.899 20 30 GHEDRO N#Cc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C2CC2)c1 ZINC000567906746 897482970 /nfs/dbraw/zinc/48/29/70/897482970.db2.gz VDLFJWNCXWCTPC-UHFFFAOYSA-N 1 0 376.508 3.606 20 30 GHEDRO C#C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1F ZINC000820738081 897526252 /nfs/dbraw/zinc/52/62/52/897526252.db2.gz RZZYIJVMINIFRM-QFBILLFUSA-N 1 0 377.891 3.813 20 30 GHEDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)ccc1OC(F)F ZINC000883358908 897532818 /nfs/dbraw/zinc/53/28/18/897532818.db2.gz TVYYLWKXLWAIKC-WRWORJQWSA-N 1 0 379.272 3.506 20 30 GHEDRO Cn1cc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000821022715 897669749 /nfs/dbraw/zinc/66/97/49/897669749.db2.gz TZVJBTCAZWDEON-FMIVXFBMSA-N 1 0 390.443 3.953 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883541047 897678256 /nfs/dbraw/zinc/67/82/56/897678256.db2.gz VISNLPRTVVQPKQ-GFCCVEGCSA-N 1 0 387.534 3.586 20 30 GHEDRO CC(C)(CNC(=O)[C@@H](C#N)CCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001136423327 897751514 /nfs/dbraw/zinc/75/15/14/897751514.db2.gz DBTPNQUBVXEGTG-OAQYLSRUSA-N 1 0 375.516 3.712 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)C[C@@H]21 ZINC000568360232 897779933 /nfs/dbraw/zinc/77/99/33/897779933.db2.gz ZVFMOLLHUMYQGP-APWZRJJASA-N 1 0 378.501 3.877 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000568567403 897943043 /nfs/dbraw/zinc/94/30/43/897943043.db2.gz WKWYXTSMIUUUGF-IEBWSBKVSA-N 1 0 393.384 3.973 20 30 GHEDRO N#Cc1cccc(-c2csc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)n2)c1 ZINC000568725483 898066323 /nfs/dbraw/zinc/06/63/23/898066323.db2.gz UFFQGKVKEUENOZ-QGZVFWFLSA-N 1 0 398.557 3.838 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000568916567 898209462 /nfs/dbraw/zinc/20/94/62/898209462.db2.gz SHKKYEUZDNIXIF-FQEVSTJZSA-N 1 0 396.491 3.778 20 30 GHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cc(F)c(C#N)c(F)c3)c2)CC1 ZINC001136542325 898215596 /nfs/dbraw/zinc/21/55/96/898215596.db2.gz DCWTXMCCFPZEAA-UHFFFAOYSA-N 1 0 383.442 3.998 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSCc2coc(-c3ccccc3)n2)CC1 ZINC000106036088 898246786 /nfs/dbraw/zinc/24/67/86/898246786.db2.gz NBECXCDXHAAIOM-UHFFFAOYSA-N 1 0 385.533 3.732 20 30 GHEDRO N#C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1ccc(OCc2ccccc2)cc1 ZINC001136592395 898408969 /nfs/dbraw/zinc/40/89/69/898408969.db2.gz YDGHJCGXFIJLRA-ACIOBRDBSA-N 1 0 389.499 3.963 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(C)C ZINC001136650422 898757235 /nfs/dbraw/zinc/75/72/35/898757235.db2.gz ZOVGZZATDJTAFE-IBGZPJMESA-N 1 0 396.491 3.759 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(C)C ZINC001136650423 898757431 /nfs/dbraw/zinc/75/74/31/898757431.db2.gz ZOVGZZATDJTAFE-LJQANCHMSA-N 1 0 396.491 3.759 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1)C2 ZINC000884094285 898854163 /nfs/dbraw/zinc/85/41/63/898854163.db2.gz GYNPQVPNSFNKMH-NQPCOCOJSA-N 1 0 385.920 3.746 20 30 GHEDRO COc1cccc(Oc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)c1 ZINC000884096840 898860308 /nfs/dbraw/zinc/86/03/08/898860308.db2.gz KDADAWGJLBSOSN-JXORXQGFSA-N 1 0 377.444 3.565 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)c1cccc(OC)c1 ZINC000043755390 898902713 /nfs/dbraw/zinc/90/27/13/898902713.db2.gz OXKVZGMERSMJSW-DYESRHJHSA-N 1 0 395.503 3.533 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331533171 898964213 /nfs/dbraw/zinc/96/42/13/898964213.db2.gz FKGCIWLWFPANSW-KYRADNFISA-N 1 0 389.927 3.800 20 30 GHEDRO C=CCc1cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc(OC)c1O ZINC000113341629 898987029 /nfs/dbraw/zinc/98/70/29/898987029.db2.gz HWNWYPUCFWVCPQ-UHFFFAOYSA-N 1 0 380.488 3.542 20 30 GHEDRO CCN(c1ccccc1)c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884156089 899110469 /nfs/dbraw/zinc/11/04/69/899110469.db2.gz RWVUIPPXAQKABS-VIHQBZHPSA-N 1 0 388.515 3.600 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4c(Cl)cccc4C3)CC2)cc1 ZINC001171031885 899266429 /nfs/dbraw/zinc/26/64/29/899266429.db2.gz YVIFVMVOPYVFQM-FQEVSTJZSA-N 1 0 393.918 3.963 20 30 GHEDRO C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(CC#N)CC1 ZINC000772878368 899355794 /nfs/dbraw/zinc/35/57/94/899355794.db2.gz FBWJCQWDMSFYBL-HKUYNNGSSA-N 1 0 378.561 3.522 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3[nH]c(C4CCCCC4)nc3c1)C2 ZINC000884229291 899438880 /nfs/dbraw/zinc/43/88/80/899438880.db2.gz MMQIALFBIXVGJN-JXORXQGFSA-N 1 0 377.492 3.688 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCCCCN1C(=O)c2ccccc2C1=O ZINC000824327420 899558934 /nfs/dbraw/zinc/55/89/34/899558934.db2.gz YPQWVUOSZKXFMF-LQWHRVPQSA-N 1 0 384.520 3.802 20 30 GHEDRO C[NH+](C)CCN(Cc1csc(-c2ccccn2)n1)Cc1ccc(C#N)cc1 ZINC000289808549 914359075 /nfs/dbraw/zinc/35/90/75/914359075.db2.gz NJERUUNESBMLRP-UHFFFAOYSA-N 1 0 377.517 3.641 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000121030407 899938694 /nfs/dbraw/zinc/93/86/94/899938694.db2.gz GMXACWXUUXRSDM-UTKZUKDTSA-N 1 0 377.488 3.549 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001171078316 900046111 /nfs/dbraw/zinc/04/61/11/900046111.db2.gz MARACBQNHKFTLY-YCRPNKLZSA-N 1 0 377.479 3.662 20 30 GHEDRO CCN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000884417669 900069221 /nfs/dbraw/zinc/06/92/21/900069221.db2.gz NQPRVTJHORBSQP-UZTJYVCTSA-N 1 0 393.453 3.624 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000572426761 900182713 /nfs/dbraw/zinc/18/27/13/900182713.db2.gz OOJSBEBMLXYLNN-LJQANCHMSA-N 1 0 397.567 3.622 20 30 GHEDRO Cc1nsc(N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)c1C#N ZINC000884592046 900186092 /nfs/dbraw/zinc/18/60/92/900186092.db2.gz DUWJOAIJDVSXJQ-GOSISDBHSA-N 1 0 382.533 3.949 20 30 GHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135251262 900209960 /nfs/dbraw/zinc/20/99/60/900209960.db2.gz HGUXBKORBVIDRA-UHFFFAOYSA-N 1 0 398.482 3.756 20 30 GHEDRO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)n1-c1ccc(C#N)cc1 ZINC000157310496 900424059 /nfs/dbraw/zinc/42/40/59/900424059.db2.gz BPFQMWUAOXAWOF-UGKGYDQZSA-N 1 0 376.504 3.522 20 30 GHEDRO C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000573269113 900435300 /nfs/dbraw/zinc/43/53/00/900435300.db2.gz XICMQTDURCZHOR-PXAZEXFGSA-N 1 0 393.256 3.550 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(OCC)c3F)C2)C1=O ZINC001143825706 900572348 /nfs/dbraw/zinc/57/23/48/900572348.db2.gz VNKSRFMOVVCMFN-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)cc1 ZINC000573712353 900602625 /nfs/dbraw/zinc/60/26/25/900602625.db2.gz QMMQOTIIMBZHMI-JOCHJYFZSA-N 1 0 378.516 3.984 20 30 GHEDRO C/C(=C\C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1)C(=O)c1ccc(Br)cc1 ZINC001143883496 900681838 /nfs/dbraw/zinc/68/18/38/900681838.db2.gz CWMKILIDJOUEIQ-GWKQRERASA-N 1 0 393.325 3.519 20 30 GHEDRO C[NH2+]Cc1ccc(NC(=O)/C=C(\C)C(=O)c2ccc(Br)cc2)cc1 ZINC001143883964 900682115 /nfs/dbraw/zinc/68/21/15/900682115.db2.gz ZNZALJROWZOURD-ACCUITESSA-N 1 0 387.277 3.936 20 30 GHEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886046694 900690177 /nfs/dbraw/zinc/69/01/77/900690177.db2.gz MUHXHZVYJPTZGT-GOSISDBHSA-N 1 0 389.565 3.510 20 30 GHEDRO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000844308146 900696167 /nfs/dbraw/zinc/69/61/67/900696167.db2.gz AMZMSRGYOCRDHM-RDJZCZTQSA-N 1 0 388.468 3.592 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC000844356847 900761765 /nfs/dbraw/zinc/76/17/65/900761765.db2.gz TVABJTOCVIREFB-PWRODBHTSA-N 1 0 399.535 3.843 20 30 GHEDRO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)n1 ZINC000844409899 900840130 /nfs/dbraw/zinc/84/01/30/900840130.db2.gz MWDQAWRAZKWOPF-JXFKEZNVSA-N 1 0 380.492 3.788 20 30 GHEDRO COc1cc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1C#N ZINC000574369959 900867138 /nfs/dbraw/zinc/86/71/38/900867138.db2.gz UORVYDFQXUZINP-UHFFFAOYSA-N 1 0 392.503 3.917 20 30 GHEDRO C=CCOC(=O)N1CCC2(CN(Cc3cc(F)c(OCC)c(F)c3)C2)CC1 ZINC001144022481 900940956 /nfs/dbraw/zinc/94/09/56/900940956.db2.gz MNWUHIJVVMNZFC-UHFFFAOYSA-N 1 0 380.435 3.584 20 30 GHEDRO CCC[N@@H+]1Cc2cccc(NC(=O)/C=C/c3ccc(OCC#N)c(OC)c3)c2C1 ZINC000066515227 901007195 /nfs/dbraw/zinc/00/71/95/901007195.db2.gz MZMXDUBRQAQKKS-CSKARUKUSA-N 1 0 391.471 3.975 20 30 GHEDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1C(F)(F)F ZINC000574965452 901073493 /nfs/dbraw/zinc/07/34/93/901073493.db2.gz OGZFWIXZIWOLRI-KRWDZBQOSA-N 1 0 394.418 3.758 20 30 GHEDRO C=CC[C@H]1N(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCC1(C)C ZINC000575079281 901110678 /nfs/dbraw/zinc/11/06/78/901110678.db2.gz LHDIAFNAZJWRPV-FGZHOGPDSA-N 1 0 398.595 3.751 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cn2)CC1 ZINC001144153962 901160472 /nfs/dbraw/zinc/16/04/72/901160472.db2.gz SIIFSPUEEOVLIO-FQEVSTJZSA-N 1 0 384.524 3.955 20 30 GHEDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000575377638 901222439 /nfs/dbraw/zinc/22/24/39/901222439.db2.gz ACEJQJPJRDRBFB-KSSFIOAISA-N 1 0 378.394 3.710 20 30 GHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c(OC)c1 ZINC000886686416 901226596 /nfs/dbraw/zinc/22/65/96/901226596.db2.gz PIKSATJFMYHEBR-CQSZACIVSA-N 1 0 399.516 3.804 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000047010790 901236370 /nfs/dbraw/zinc/23/63/70/901236370.db2.gz SNXRPKHSJVGDNT-UHFFFAOYSA-N 1 0 388.515 3.953 20 30 GHEDRO C=CCN1C(=O)CCC12CCN(Cc1ccc(Br)c(OC)c1)CC2 ZINC001144228238 901333675 /nfs/dbraw/zinc/33/36/75/901333675.db2.gz DTWYOLAAVCOGMV-UHFFFAOYSA-N 1 0 393.325 3.601 20 30 GHEDRO Cc1noc([C@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000091832279 901459793 /nfs/dbraw/zinc/45/97/93/901459793.db2.gz FEUYTQJTDKHJPQ-SFHVURJKSA-N 1 0 376.464 3.535 20 30 GHEDRO C[N@@H+]1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)[C@H]1c1ccccc1 ZINC000575936816 901495626 /nfs/dbraw/zinc/49/56/26/901495626.db2.gz OVKACRBNUYPVRM-JTHBVZDNSA-N 1 0 399.498 3.639 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)Cc2cnccn2)cc1OCC ZINC000092591025 901501086 /nfs/dbraw/zinc/50/10/86/901501086.db2.gz XVIQLCUIQJGZDR-UHFFFAOYSA-N 1 0 392.297 3.835 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000575988833 901560075 /nfs/dbraw/zinc/56/00/75/901560075.db2.gz GCZOGLMJAVNPHB-QRQLOZEOSA-N 1 0 375.900 3.556 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C(F)(F)c3ccc(F)cc3)CC2)c1 ZINC000845006628 901637957 /nfs/dbraw/zinc/63/79/57/901637957.db2.gz JKQVQDUQICSKHJ-UHFFFAOYSA-N 1 0 387.405 3.570 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C/Sc3ccccc3)CC2)c1 ZINC000845007647 901640629 /nfs/dbraw/zinc/64/06/29/901640629.db2.gz WJBVIXONGOGYLL-SDNWHVSQSA-N 1 0 377.513 3.945 20 30 GHEDRO CCC(CC)(CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)SC ZINC000845018480 901672732 /nfs/dbraw/zinc/67/27/32/901672732.db2.gz VFSAAANLBSESRP-UHFFFAOYSA-N 1 0 388.581 3.744 20 30 GHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000121897023 901694516 /nfs/dbraw/zinc/69/45/16/901694516.db2.gz VFVKOASMZRHFCW-UHFFFAOYSA-N 1 0 395.528 3.627 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)[C@H](C)C1 ZINC000122134349 901732422 /nfs/dbraw/zinc/73/24/22/901732422.db2.gz KJNQMWVPYALLBT-APWZRJJASA-N 1 0 381.476 3.533 20 30 GHEDRO CCOC(=O)c1cc(C#N)c(C)nc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171167416 901892347 /nfs/dbraw/zinc/89/23/47/901892347.db2.gz YVXIMEDNVOTOMT-CQSZACIVSA-N 1 0 376.460 3.580 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1noc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001171177924 902089090 /nfs/dbraw/zinc/08/90/90/902089090.db2.gz BRSNRIAEDQAVCL-OAHLLOKOSA-N 1 0 396.491 3.560 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001171186807 902196074 /nfs/dbraw/zinc/19/60/74/902196074.db2.gz YWMCHHDOMSXHOY-MNEFBYGVSA-N 1 0 375.488 3.674 20 30 GHEDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCOCC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000576702641 902203610 /nfs/dbraw/zinc/20/36/10/902203610.db2.gz VPFLNERBPJAXQJ-ITGJCUMNSA-N 1 0 397.563 3.687 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000576748319 902232445 /nfs/dbraw/zinc/23/24/45/902232445.db2.gz SOBQEYXRWQCFLP-UHFFFAOYSA-N 1 0 379.342 3.802 20 30 GHEDRO C=C[C@H](C)ONC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000845629469 902284605 /nfs/dbraw/zinc/28/46/05/902284605.db2.gz DAHBDVWTKOKWMA-QRTARXTBSA-N 1 0 385.430 3.894 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC3(CCOCC3)[C@@H]3CCC[C@@H]31)CCC2 ZINC000333760575 902315409 /nfs/dbraw/zinc/31/54/09/902315409.db2.gz ZQRXCJLZTMZURP-MSOLQXFVSA-N 1 0 399.560 3.718 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333767100 902319030 /nfs/dbraw/zinc/31/90/30/902319030.db2.gz QMHVRUIAVWYJJM-YDJSWOFHSA-N 1 0 387.568 3.587 20 30 GHEDRO C#Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)cc1 ZINC001144572223 902403695 /nfs/dbraw/zinc/40/36/95/902403695.db2.gz UUOWCISZXHUNMJ-QFIPXVFZSA-N 1 0 376.500 3.761 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)c(-c2ccccc2)n1 ZINC000128319963 902643319 /nfs/dbraw/zinc/64/33/19/902643319.db2.gz GZFZKGVCZRTAFN-HXUWFJFHSA-N 1 0 380.492 3.629 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1ccc(CC)cc1 ZINC000263924203 902685787 /nfs/dbraw/zinc/68/57/87/902685787.db2.gz WTQXTKWXDOWRNY-UHFFFAOYSA-O 1 0 379.452 3.686 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001171217374 902756355 /nfs/dbraw/zinc/75/63/55/902756355.db2.gz OXCFPYHVFMDDCK-AMDXRBSFSA-N 1 0 389.543 3.507 20 30 GHEDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)c1 ZINC000264024805 902782637 /nfs/dbraw/zinc/78/26/37/902782637.db2.gz XVCAVGJXFUFVIJ-LJQANCHMSA-N 1 0 395.503 3.755 20 30 GHEDRO COc1ccc([C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)c2c[nH]c3ccccc32)cc1 ZINC000600717466 902840630 /nfs/dbraw/zinc/84/06/30/902840630.db2.gz LQXCBAMDXGSBPT-NQIIRXRSSA-N 1 0 389.499 3.953 20 30 GHEDRO C[C@@H](CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000600727900 902851901 /nfs/dbraw/zinc/85/19/01/902851901.db2.gz LIKDLVHUOVQGMM-YJBOKZPZSA-N 1 0 384.442 3.860 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+]CC2(c3cccc(Br)c3)CCCC2)CC1 ZINC000600730199 902852844 /nfs/dbraw/zinc/85/28/44/902852844.db2.gz ZGYZREGIJFXMKB-KRWDZBQOSA-N 1 0 377.326 3.905 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001171222671 902898884 /nfs/dbraw/zinc/89/88/84/902898884.db2.gz IPNAWEWNEQXOGM-JTSKRJEESA-N 1 0 375.516 3.831 20 30 GHEDRO COc1ccc(C#N)cc1CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000772939051 903041171 /nfs/dbraw/zinc/04/11/71/903041171.db2.gz IVDDZDGQSRSJRP-UHFFFAOYSA-N 1 0 378.476 3.600 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001171232784 903048229 /nfs/dbraw/zinc/04/82/29/903048229.db2.gz WJOWVIBUKPWNPC-YOEHRIQHSA-N 1 0 390.409 3.841 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000577707811 903085593 /nfs/dbraw/zinc/08/55/93/903085593.db2.gz TWFXOJPKAPNMFY-XZOQPEGZSA-N 1 0 389.499 3.505 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000779030550 903209433 /nfs/dbraw/zinc/20/94/33/903209433.db2.gz XCPBYTFPYLPVJB-SFHVURJKSA-N 1 0 375.538 3.781 20 30 GHEDRO Cc1cc(N2CCC([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)CC2)nc(C)n1 ZINC000577810527 903225275 /nfs/dbraw/zinc/22/52/75/903225275.db2.gz VNRJVGDCWZPRTN-JOCHJYFZSA-N 1 0 375.520 3.991 20 30 GHEDRO N#CC1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC2(CC2)C1 ZINC000601029184 903246397 /nfs/dbraw/zinc/24/63/97/903246397.db2.gz LONUDANIFPBQFD-UHFFFAOYSA-N 1 0 380.492 3.524 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000264665545 903296465 /nfs/dbraw/zinc/29/64/65/903296465.db2.gz SEVPBVQJPBZNAM-NRFANRHFSA-N 1 0 377.492 3.666 20 30 GHEDRO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CCc1ccc(Br)cc1)CC2 ZINC001275549216 914720593 /nfs/dbraw/zinc/72/05/93/914720593.db2.gz QDRROBWCVYBTOM-SFHVURJKSA-N 1 0 391.353 3.786 20 30 GHEDRO N#CC1(Nc2cccn(Cc3ccccc3)c2=O)CC[NH+](Cc2ccccc2)CC1 ZINC001171282437 903581712 /nfs/dbraw/zinc/58/17/12/903581712.db2.gz MUKXCUSVHPZDEA-UHFFFAOYSA-N 1 0 398.510 3.867 20 30 GHEDRO N#CC(CC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1)(c1ccccc1)c1ccccc1 ZINC000578332859 903741529 /nfs/dbraw/zinc/74/15/29/903741529.db2.gz IFTBQSRXCQRAQT-HXUWFJFHSA-N 1 0 397.526 3.969 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(OC)c2)c1 ZINC000772985180 903947578 /nfs/dbraw/zinc/94/75/78/903947578.db2.gz UESZATPTLAPQIN-VQIMIIECSA-N 1 0 381.476 3.883 20 30 GHEDRO N#Cc1c(F)cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1F ZINC000578557304 903960772 /nfs/dbraw/zinc/96/07/72/903960772.db2.gz OTNLSRDAEJMYOY-INIZCTEOSA-N 1 0 387.405 3.504 20 30 GHEDRO CN(CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccco1 ZINC000578778639 904116551 /nfs/dbraw/zinc/11/65/51/904116551.db2.gz GRBQXFHBGCIXCK-UHFFFAOYSA-N 1 0 377.492 3.506 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3nccn3-c3ccccc3)C2)c(F)c1 ZINC000579185580 904406723 /nfs/dbraw/zinc/40/67/23/904406723.db2.gz RETIGCUZVOAULS-SFHVURJKSA-N 1 0 375.451 3.642 20 30 GHEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)cc1C#N ZINC000773073356 904413784 /nfs/dbraw/zinc/41/37/84/904413784.db2.gz CPEIYLPASFJPNA-MRXNPFEDSA-N 1 0 376.460 3.671 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1C#N ZINC000773078169 904415249 /nfs/dbraw/zinc/41/52/49/904415249.db2.gz VOBOXZUUMCLSLC-HNNXBMFYSA-N 1 0 385.895 3.747 20 30 GHEDRO COc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c(C(F)(F)F)c1 ZINC000104191260 904551649 /nfs/dbraw/zinc/55/16/49/904551649.db2.gz FCQLUOUMALPKGJ-UHFFFAOYSA-N 1 0 395.381 3.802 20 30 GHEDRO N#CC1(NC(=O)C2CC(Oc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001186874335 914845616 /nfs/dbraw/zinc/84/56/16/914845616.db2.gz PNJVKKAQZZGUHW-UHFFFAOYSA-N 1 0 389.499 3.519 20 30 GHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001171920605 905150062 /nfs/dbraw/zinc/15/00/62/905150062.db2.gz JONYUECHYCBSIB-VWNVYAMZSA-N 1 0 385.552 3.963 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCC(C)(C(=O)OCC)CC1)C2 ZINC001171952232 905159479 /nfs/dbraw/zinc/15/94/79/905159479.db2.gz SYKFRARSXNFTCX-XZJNEJNUSA-N 1 0 379.541 3.572 20 30 GHEDRO CCC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000626737686 905247838 /nfs/dbraw/zinc/24/78/38/905247838.db2.gz QRZSPIJOWHWPMN-UHFFFAOYSA-N 1 0 390.487 3.891 20 30 GHEDRO O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2)N1Cc2ccccc2C#Cc2ccccc21 ZINC001172224206 905424622 /nfs/dbraw/zinc/42/46/22/905424622.db2.gz LTOOPMXINLJEBW-NOTZXAQLSA-N 1 0 386.495 3.623 20 30 GHEDRO COc1ccc(F)cc1CN1CCC([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300729 905455378 /nfs/dbraw/zinc/45/53/78/905455378.db2.gz YIKHXCZMNBUOEA-QGZVFWFLSA-N 1 0 381.495 3.891 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001172303341 905457520 /nfs/dbraw/zinc/45/75/20/905457520.db2.gz CDZVVBKWJXOIBP-CKUXNOBLSA-N 1 0 391.515 3.834 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001172304803 905458860 /nfs/dbraw/zinc/45/88/60/905458860.db2.gz PUTNYRTYOAAVMF-VCFYHUQZSA-N 1 0 391.515 3.723 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC001172306220 905461219 /nfs/dbraw/zinc/46/12/19/905461219.db2.gz CCWLUWHTTYUNFV-IBGZPJMESA-N 1 0 387.527 3.786 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001172308643 905465120 /nfs/dbraw/zinc/46/51/20/905465120.db2.gz OXKLAIWOSFNBGU-ALOBAPJISA-N 1 0 397.544 3.642 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001172308645 905465540 /nfs/dbraw/zinc/46/55/40/905465540.db2.gz OXKLAIWOSFNBGU-KREFBHGWSA-N 1 0 397.544 3.642 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001172290893 905480181 /nfs/dbraw/zinc/48/01/81/905480181.db2.gz UGIJICALILKSAX-FXAWDEMLSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 ZINC001172290091 905480644 /nfs/dbraw/zinc/48/06/44/905480644.db2.gz MESBYVXSVOTYII-HRAATJIYSA-N 1 0 375.488 3.818 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001172356586 905527228 /nfs/dbraw/zinc/52/72/28/905527228.db2.gz XKSIBRLGXPZGID-DENIHFKCSA-N 1 0 379.589 3.528 20 30 GHEDRO CC(=O)NCCC[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)Nc1ccc2ccccc2c1 ZINC001172490808 905595771 /nfs/dbraw/zinc/59/57/71/905595771.db2.gz ASNSFPRNEXFTIX-JTSKRJEESA-N 1 0 394.519 3.735 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@@H](C)CCCC#N)c3ccccc32)cc1 ZINC001172490829 905595831 /nfs/dbraw/zinc/59/58/31/905595831.db2.gz LHBHVNSKZLEKAM-INIZCTEOSA-N 1 0 375.476 3.881 20 30 GHEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C(F)(F)F)C1 ZINC001172495636 905598006 /nfs/dbraw/zinc/59/80/06/905598006.db2.gz GRWYVZIASMLTQA-CKEIUWERSA-N 1 0 375.435 3.800 20 30 GHEDRO CC(C)CCN1[C@@]2(CC[N@@H+]([C@@H](C)CCCC#N)C2)c2ccccc2S1(=O)=O ZINC001172495019 905598407 /nfs/dbraw/zinc/59/84/07/905598407.db2.gz LTXJGHDOCYPNHZ-GHTZIAJQSA-N 1 0 389.565 3.720 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C2)C1=O ZINC001172634320 905695985 /nfs/dbraw/zinc/69/59/85/905695985.db2.gz GNQNOUQPZYPKMO-QYZOEREBSA-N 1 0 393.572 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C#N ZINC001172967847 906029591 /nfs/dbraw/zinc/02/95/91/906029591.db2.gz FEAHGEYRPGCGKR-ACRUOGEOSA-N 1 0 398.551 3.532 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1OC ZINC001172971629 906034776 /nfs/dbraw/zinc/03/47/76/906034776.db2.gz RWWCSNAGJOIBIQ-XIRDDKMYSA-N 1 0 389.496 3.646 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2cccc(Cl)c2)C[C@H]1C#N ZINC001172971929 906035734 /nfs/dbraw/zinc/03/57/34/906035734.db2.gz UMNUOUJCLPASRW-HOTGVXAUSA-N 1 0 379.888 3.600 20 30 GHEDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977288 906042176 /nfs/dbraw/zinc/04/21/76/906042176.db2.gz AVXXPLIXNSUPNG-KBPBESRZSA-N 1 0 376.888 3.855 20 30 GHEDRO COc1ccc2c(C[NH3+])cn([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c2c1 ZINC001172976392 906042250 /nfs/dbraw/zinc/04/22/50/906042250.db2.gz OWLLEGJGBDVASI-CVEARBPZSA-N 1 0 384.480 3.573 20 30 GHEDRO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982499 906048177 /nfs/dbraw/zinc/04/81/77/906048177.db2.gz CTTGHLYYIGWXQX-ZNMIVQPWSA-N 1 0 377.460 3.777 20 30 GHEDRO C[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172984473 906050030 /nfs/dbraw/zinc/05/00/30/906050030.db2.gz LNWLNGNHQQIISX-JBACZVJFSA-N 1 0 398.551 3.657 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H]2COCc2ccccc2)C[C@H]1C#N ZINC001172986131 906051784 /nfs/dbraw/zinc/05/17/84/906051784.db2.gz URUYMADOGSKODH-UFYCRDLUSA-N 1 0 385.508 3.569 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](n2c3ccccc3c3c2C[C@H]([NH3+])CC3)C[C@H]1C#N ZINC001172987379 906052174 /nfs/dbraw/zinc/05/21/74/906052174.db2.gz XZGBRXJNRXIPJS-IKGGRYGDSA-N 1 0 394.519 3.921 20 30 GHEDRO C=C(C)COc1cc(CN2CCC(CC)([NH+]3CCOCC3)CC2)ccc1OC ZINC000628476052 906159212 /nfs/dbraw/zinc/15/92/12/906159212.db2.gz ZMMAXJMJFHTILP-UHFFFAOYSA-N 1 0 388.552 3.727 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001173229477 906315160 /nfs/dbraw/zinc/31/51/60/906315160.db2.gz VBNDBPLQXGOTRF-UTKZUKDTSA-N 1 0 387.480 3.636 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)CC1 ZINC001173320585 906368944 /nfs/dbraw/zinc/36/89/44/906368944.db2.gz BAJHDRWTUVQSME-UHFFFAOYSA-N 1 0 383.536 3.524 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)CC1 ZINC001173320876 906370408 /nfs/dbraw/zinc/37/04/08/906370408.db2.gz FSDUIPCKBREFFG-KXTRFFEISA-N 1 0 399.579 3.510 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CC1 ZINC001173322601 906371937 /nfs/dbraw/zinc/37/19/37/906371937.db2.gz GJSTXMFCLUCQJI-UHFFFAOYSA-N 1 0 396.988 3.878 20 30 GHEDRO CCN(CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1cccc(C)c1 ZINC001173420845 906445567 /nfs/dbraw/zinc/44/55/67/906445567.db2.gz GXEJQEBIAVRHQR-UHFFFAOYSA-N 1 0 390.531 3.587 20 30 GHEDRO Cc1cc(C)cc(OC[C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173422505 906456480 /nfs/dbraw/zinc/45/64/80/906456480.db2.gz REVFWORPGZKNIO-IBGZPJMESA-N 1 0 391.515 3.837 20 30 GHEDRO CSc1ccccc1OCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173425420 906461807 /nfs/dbraw/zinc/46/18/07/906461807.db2.gz UNBFQHFPLBNYBY-UHFFFAOYSA-N 1 0 395.528 3.553 20 30 GHEDRO C[N@H+](Cc1nc2ccccc2s1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173430038 906466619 /nfs/dbraw/zinc/46/66/19/906466619.db2.gz JREHJEAQYNFOHU-UHFFFAOYSA-N 1 0 390.512 3.905 20 30 GHEDRO CSc1nc(Cl)cc(N2CCC[N@@H+](C3CCC(C)(C#N)CC3)CC2)n1 ZINC001173597673 906551152 /nfs/dbraw/zinc/55/11/52/906551152.db2.gz AUFYUFZZDZEDIT-UHFFFAOYSA-N 1 0 379.961 3.836 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)ccc1O ZINC000179943399 906641885 /nfs/dbraw/zinc/64/18/85/906641885.db2.gz YNTZCWOFSPGZKD-UHFFFAOYSA-N 1 0 376.460 3.810 20 30 GHEDRO N#CC1(c2ccc(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)cc2)CC1 ZINC000180191240 906710936 /nfs/dbraw/zinc/71/09/36/906710936.db2.gz HPCQGNGLDHYRNL-UHFFFAOYSA-N 1 0 379.529 3.945 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cccc(C(=O)NCc4ccco4)c3)sc2C1 ZINC001174198436 906891523 /nfs/dbraw/zinc/89/15/23/906891523.db2.gz DQNSNSASAKXKLS-UHFFFAOYSA-N 1 0 392.484 3.874 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(C#N)c1C ZINC000181434612 907000516 /nfs/dbraw/zinc/00/05/16/907000516.db2.gz MLCYQAOKXIQYNR-CQSZACIVSA-N 1 0 396.516 3.653 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(NC=C3CCN(C(=O)OC(C)(C)C)CC3)sc2C1 ZINC001174844807 907250620 /nfs/dbraw/zinc/25/06/20/907250620.db2.gz OBWBDHURCXBFFE-UHFFFAOYSA-N 1 0 388.537 3.934 20 30 GHEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000182706511 907254875 /nfs/dbraw/zinc/25/48/75/907254875.db2.gz VEDHPCCGYFAQFS-UHFFFAOYSA-N 1 0 381.476 3.661 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(-n2cncn2)cc1 ZINC000191819925 907264223 /nfs/dbraw/zinc/26/42/23/907264223.db2.gz OMXRYADKFMFMFQ-ZDUSSCGKSA-N 1 0 382.265 3.752 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1Cl ZINC000192110887 907421962 /nfs/dbraw/zinc/42/19/62/907421962.db2.gz KSMKTRPNXGFUNO-IEBWSBKVSA-N 1 0 391.805 3.548 20 30 GHEDRO CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001175593490 907626407 /nfs/dbraw/zinc/62/64/07/907626407.db2.gz RRLZEJNIQMBGOC-HSZRJFAPSA-N 1 0 390.531 3.873 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001175632034 907651733 /nfs/dbraw/zinc/65/17/33/907651733.db2.gz XAHTVIVOQAZLKP-VGSWGCGISA-N 1 0 393.572 3.694 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000188711486 908240867 /nfs/dbraw/zinc/24/08/67/908240867.db2.gz KZMUBYBOQXTYFB-UHFFFAOYSA-N 1 0 385.512 3.683 20 30 GHEDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCNc1ccc(C#N)cn1 ZINC001177210000 908452517 /nfs/dbraw/zinc/45/25/17/908452517.db2.gz WDLVPMDHMZWREN-UHFFFAOYSA-N 1 0 380.883 3.611 20 30 GHEDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000190426926 908485302 /nfs/dbraw/zinc/48/53/02/908485302.db2.gz VEKUYRQJHOLIJB-RXVVDRJESA-N 1 0 398.507 3.604 20 30 GHEDRO COc1ccc(NC(=S)NN=C(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779757478 908619471 /nfs/dbraw/zinc/61/94/71/908619471.db2.gz BGIIIYGPJPFJKH-SFHVURJKSA-N 1 0 382.533 3.880 20 30 GHEDRO COc1ccccc1NC(=S)NN=C(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779758014 908620762 /nfs/dbraw/zinc/62/07/62/908620762.db2.gz HXWRFLJVMTVHDL-SFHVURJKSA-N 1 0 382.533 3.880 20 30 GHEDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(OCC#N)cc1 ZINC000191835441 908682967 /nfs/dbraw/zinc/68/29/67/908682967.db2.gz WHDSIYAKFRRKGR-CVDCTZTESA-N 1 0 379.504 3.531 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1C ZINC000773698795 908696340 /nfs/dbraw/zinc/69/63/40/908696340.db2.gz CBJZXHFREPMMCD-SFTDATJTSA-N 1 0 383.536 3.689 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000801735058 921437052 /nfs/dbraw/zinc/43/70/52/921437052.db2.gz PMGXEGZHNRGGNF-LJQANCHMSA-N 1 0 388.309 3.622 20 30 GHEDRO N#C[C@H](Cc1cccs1)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001177912536 908799999 /nfs/dbraw/zinc/79/99/99/908799999.db2.gz QTFDSRVWJBKGKV-NJYVYQBISA-N 1 0 393.556 3.801 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](C#N)Cc1cccs1 ZINC001177917737 908802265 /nfs/dbraw/zinc/80/22/65/908802265.db2.gz LZBOMXBXJJLLPC-AZUAARDMSA-N 1 0 381.545 3.847 20 30 GHEDRO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000195149740 908972268 /nfs/dbraw/zinc/97/22/68/908972268.db2.gz SCUULXKRNGEFPT-JOCHJYFZSA-N 1 0 379.504 3.651 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)ccc1OC ZINC000266185836 909029392 /nfs/dbraw/zinc/02/93/92/909029392.db2.gz WQPZWNKQASEJTP-UHFFFAOYSA-N 1 0 382.504 3.684 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001178584517 909106985 /nfs/dbraw/zinc/10/69/85/909106985.db2.gz JRALQVKMSHTMIP-XLIONFOSSA-N 1 0 375.900 3.686 20 30 GHEDRO C=CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3scnc3Cl)C2)C1=O ZINC001276025734 921481233 /nfs/dbraw/zinc/48/12/33/921481233.db2.gz QKUVCXAOKSETBN-JXFKEZNVSA-N 1 0 387.936 3.801 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC001179160495 909407083 /nfs/dbraw/zinc/40/70/83/909407083.db2.gz XKTHYGKNFURICV-UHFFFAOYSA-N 1 0 388.559 3.932 20 30 GHEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)C2 ZINC001179418752 909531065 /nfs/dbraw/zinc/53/10/65/909531065.db2.gz BNYCRABAYUFNCY-IBGZPJMESA-N 1 0 381.273 3.854 20 30 GHEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC001179506880 909574701 /nfs/dbraw/zinc/57/47/01/909574701.db2.gz KALUMJZZQJAIHK-RZDIXWSQSA-N 1 0 377.326 3.567 20 30 GHEDRO C=CCn1c(-c2ccco2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1=S ZINC000245449518 909654506 /nfs/dbraw/zinc/65/45/06/909654506.db2.gz NUKMGKSJPYGLPK-SJORKVTESA-N 1 0 387.553 3.765 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC001179739428 909692414 /nfs/dbraw/zinc/69/24/14/909692414.db2.gz BHYNAFJSYBRUOM-UHFFFAOYSA-N 1 0 378.310 3.898 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1 ZINC001179834265 909755704 /nfs/dbraw/zinc/75/57/04/909755704.db2.gz JARTUZMLDDHXLD-JTHBVZDNSA-N 1 0 377.488 3.809 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269095331 910137710 /nfs/dbraw/zinc/13/77/10/910137710.db2.gz DFBJZWCTSVKBNE-UHFFFAOYSA-N 1 0 381.867 3.679 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1C#N ZINC000269800070 910356720 /nfs/dbraw/zinc/35/67/20/910356720.db2.gz APPXYWCJUFVJAT-UHFFFAOYSA-N 1 0 399.495 3.609 20 30 GHEDRO COc1cc(NCC[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc(OC)c1 ZINC000269816040 910360003 /nfs/dbraw/zinc/36/00/03/910360003.db2.gz NVUIXWJBJHIQBH-UHFFFAOYSA-N 1 0 399.491 3.597 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000639274396 910372812 /nfs/dbraw/zinc/37/28/12/910372812.db2.gz JFMVNMDFFMRQMW-UGSOOPFHSA-N 1 0 393.459 3.787 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC001202782835 910490852 /nfs/dbraw/zinc/49/08/52/910490852.db2.gz FZSYRBMHGPKNCY-VLCRHTCISA-N 1 0 389.503 3.718 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000366409471 921581100 /nfs/dbraw/zinc/58/11/00/921581100.db2.gz WJPBVEBCTVCOFW-UHFFFAOYSA-N 1 0 391.515 3.869 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001181122105 910556533 /nfs/dbraw/zinc/55/65/33/910556533.db2.gz RUOREECRTWLRNJ-INIZCTEOSA-N 1 0 376.545 3.875 20 30 GHEDRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)Cc2ccc(F)c(C#N)c2)CC1 ZINC001181191344 910601880 /nfs/dbraw/zinc/60/18/80/910601880.db2.gz URRJESNKILDIAO-UHFFFAOYSA-N 1 0 399.441 3.738 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001181203262 910611961 /nfs/dbraw/zinc/61/19/61/910611961.db2.gz GFTYYLAILHGGDU-UHFFFAOYSA-N 1 0 393.487 3.829 20 30 GHEDRO CC1(C)CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC(C)(C)[NH2+]1 ZINC001181431504 910754765 /nfs/dbraw/zinc/75/47/65/910754765.db2.gz RXRHZZDGUMGSDO-UHFFFAOYSA-N 1 0 391.519 3.558 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000271676734 911010276 /nfs/dbraw/zinc/01/02/76/911010276.db2.gz OEFIQBUUSSQPCS-SJLPKXTDSA-N 1 0 383.517 3.733 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000092481105 911564108 /nfs/dbraw/zinc/56/41/08/911564108.db2.gz BMYPXTUQHHRHHD-QGZVFWFLSA-N 1 0 384.524 3.574 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001182433457 911653583 /nfs/dbraw/zinc/65/35/83/911653583.db2.gz IVNHPZALEUXRFM-UNMCSNQZSA-N 1 0 375.472 3.936 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)cc1 ZINC000092673945 911698978 /nfs/dbraw/zinc/69/89/78/911698978.db2.gz ZRPWTUSXEUREOM-UHFFFAOYSA-N 1 0 382.529 3.853 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000092853915 911865817 /nfs/dbraw/zinc/86/58/17/911865817.db2.gz XISOPFYKJPNPOY-UHFFFAOYSA-N 1 0 375.472 3.835 20 30 GHEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(C(=O)OC)o3)c(OCC)c2)C1 ZINC001182604941 911919986 /nfs/dbraw/zinc/91/99/86/911919986.db2.gz OCMDSDYDXSZIQV-KRWDZBQOSA-N 1 0 397.471 3.889 20 30 GHEDRO N#Cc1ccc(OCC(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)cc1 ZINC001182914883 912143281 /nfs/dbraw/zinc/14/32/81/912143281.db2.gz ISNGLKPRRYUVOT-QFIPXVFZSA-N 1 0 389.499 3.919 20 30 GHEDRO C[N@H+](CCNC(=O)c1cccc(COc2ccccc2C#N)c1)C1CCCC1 ZINC000303583353 914959096 /nfs/dbraw/zinc/95/90/96/914959096.db2.gz PRBOEELTJWXAFV-UHFFFAOYSA-N 1 0 377.488 3.741 20 30 GHEDRO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)cc1)CC2 ZINC001275590015 915076153 /nfs/dbraw/zinc/07/61/53/915076153.db2.gz QBSLLEYZRGPGKF-KRWDZBQOSA-N 1 0 377.326 3.744 20 30 GHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2CN2CCOCC2)cc1 ZINC000303776930 915122383 /nfs/dbraw/zinc/12/23/83/915122383.db2.gz ICLGREYNRSSPIR-GOSISDBHSA-N 1 0 380.536 3.959 20 30 GHEDRO CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2cc(OC)ccc2OC)c1 ZINC000303867552 915225867 /nfs/dbraw/zinc/22/58/67/915225867.db2.gz AARFCLMJGFHZAA-AWEZNQCLSA-N 1 0 384.480 3.615 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCCc2cc(Br)ccc2F)cc1OC ZINC000303870692 915229725 /nfs/dbraw/zinc/22/97/25/915229725.db2.gz FKINPBVFGYSOBN-UHFFFAOYSA-N 1 0 396.260 3.575 20 30 GHEDRO CCc1cccc(NC(=[NH2+])NCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000303905121 915307059 /nfs/dbraw/zinc/30/70/59/915307059.db2.gz ZFCAJCHGMSOZLE-UHFFFAOYSA-N 1 0 389.297 3.767 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000303972981 915342751 /nfs/dbraw/zinc/34/27/51/915342751.db2.gz GGCSCCHAJAGZSA-UHFFFAOYSA-N 1 0 378.480 3.532 20 30 GHEDRO CCOc1ccc([C@H](O)C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000291979764 915454876 /nfs/dbraw/zinc/45/48/76/915454876.db2.gz WFKLEVKITQHVPC-QHCPKHFHSA-N 1 0 380.488 3.933 20 30 GHEDRO COc1ccccc1[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001187693873 915456986 /nfs/dbraw/zinc/45/69/86/915456986.db2.gz ZLAWSGIYUJXDBE-YYWHXJBOSA-N 1 0 391.515 3.969 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c(C#N)c1C ZINC000292288215 915601700 /nfs/dbraw/zinc/60/17/00/915601700.db2.gz CFRLZLCTNNIFDC-DIFFPNOSSA-N 1 0 375.519 3.529 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NC2CCC2)[n+]2ccc(N(C)C)cc2)ccc1F ZINC000292343727 915627707 /nfs/dbraw/zinc/62/77/07/915627707.db2.gz PBQVNNBFAQQISO-UHFFFAOYSA-O 1 0 386.516 3.569 20 30 GHEDRO C[C@H](NC(=[NH2+])NCC[S@](=O)Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000304762049 915700340 /nfs/dbraw/zinc/70/03/40/915700340.db2.gz VFARVPOHWPHZFU-CANCMXDXSA-N 1 0 398.359 3.908 20 30 GHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)Oc2ccc(F)cc2)c1 ZINC000304805961 915721286 /nfs/dbraw/zinc/72/12/86/915721286.db2.gz RSQKKLILVZFOHH-AWEZNQCLSA-N 1 0 375.444 3.817 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c(OCC2CC2)c1 ZINC000304935478 915792883 /nfs/dbraw/zinc/79/28/83/915792883.db2.gz ICXMRRUWTHEZMM-UHFFFAOYSA-N 1 0 381.476 3.872 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c(O[C@H]2CCOC2)c1 ZINC000305011471 915834345 /nfs/dbraw/zinc/83/43/45/915834345.db2.gz DAQVSSGPNJCBMI-IBGZPJMESA-N 1 0 379.504 3.968 20 30 GHEDRO C[NH+]1CCC(c2ccc(C(=O)Nc3ncc(C#N)cc3Br)cc2)CC1 ZINC001188301225 915903568 /nfs/dbraw/zinc/90/35/68/915903568.db2.gz OMQFBSIYEFAGPB-UHFFFAOYSA-N 1 0 399.292 3.777 20 30 GHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1(CO)CCC1 ZINC000292960963 915922116 /nfs/dbraw/zinc/92/21/16/915922116.db2.gz FSAWBNSHPPNHMS-OXQOHEQNSA-N 1 0 389.565 3.796 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cnc1C(F)(F)F ZINC000293038723 915967102 /nfs/dbraw/zinc/96/71/02/915967102.db2.gz JPBPRLGIMOAJAW-OAHLLOKOSA-N 1 0 394.441 3.700 20 30 GHEDRO N#Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cnc1C(F)(F)F ZINC000293038719 915967400 /nfs/dbraw/zinc/96/74/00/915967400.db2.gz JPBPRLGIMOAJAW-HNNXBMFYSA-N 1 0 394.441 3.700 20 30 GHEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCc2ccccc2C1 ZINC000305217391 916012777 /nfs/dbraw/zinc/01/27/77/916012777.db2.gz INONJCOBFSMNIK-AWEZNQCLSA-N 1 0 392.425 3.759 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@H]21 ZINC001188676640 916103678 /nfs/dbraw/zinc/10/36/78/916103678.db2.gz UVEILQXDQXWXNW-YMPZKCBVSA-N 1 0 388.515 3.520 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001188873821 916244008 /nfs/dbraw/zinc/24/40/08/916244008.db2.gz MBXAIOCPBHWATO-UHFFFAOYSA-N 1 0 399.560 3.505 20 30 GHEDRO FC1(F)C(F)(F)C12CCN(CC[NH+]1CCC3(CC1)C(F)(F)C3(F)F)CC2 ZINC000649710132 916349077 /nfs/dbraw/zinc/34/90/77/916349077.db2.gz ODUBBKIANPSGRY-UHFFFAOYSA-N 1 0 392.334 3.719 20 30 GHEDRO C=CCC(F)(F)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000293736958 916355303 /nfs/dbraw/zinc/35/53/03/916355303.db2.gz URCPHEOPXYCVQT-UHFFFAOYSA-N 1 0 377.357 3.607 20 30 GHEDRO C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000293755080 916362646 /nfs/dbraw/zinc/36/26/46/916362646.db2.gz SVQLVPSAMRCAHB-QGZVFWFLSA-N 1 0 393.487 3.677 20 30 GHEDRO N#CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)C1=O ZINC001275727368 916445289 /nfs/dbraw/zinc/44/52/89/916445289.db2.gz KIIVIOZDRLCQGT-LJQANCHMSA-N 1 0 394.302 3.638 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c(-c2ccccc2)n1 ZINC000295081429 917130326 /nfs/dbraw/zinc/13/03/26/917130326.db2.gz IIVFSAYMIYRNSC-UHFFFAOYSA-N 1 0 378.520 3.981 20 30 GHEDRO Cc1nn(C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)c(=O)c(C#N)c1C ZINC000295714563 917441337 /nfs/dbraw/zinc/44/13/37/917441337.db2.gz KKBIMPLMEAYEIG-QFIPXVFZSA-N 1 0 386.499 3.648 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccccc1 ZINC000775400184 917442975 /nfs/dbraw/zinc/44/29/75/917442975.db2.gz XFSAMYHDJVQFAG-OAHLLOKOSA-N 1 0 386.377 3.874 20 30 GHEDRO O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)OCc1ccccc1 ZINC000796467409 917578864 /nfs/dbraw/zinc/57/88/64/917578864.db2.gz RELDAUCIUNRUQN-OAQYLSRUSA-N 1 0 380.463 3.816 20 30 GHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C#N)ccc1F ZINC000363169050 917858610 /nfs/dbraw/zinc/85/86/10/917858610.db2.gz JMPQMAJYODUBTA-FQEVSTJZSA-N 1 0 394.494 3.751 20 30 GHEDRO C=CCCn1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nn1 ZINC000653482603 918258226 /nfs/dbraw/zinc/25/82/26/918258226.db2.gz VYNUBRHJVBOJES-UHFFFAOYSA-N 1 0 387.531 3.761 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000296454760 918286093 /nfs/dbraw/zinc/28/60/93/918286093.db2.gz MYBUGUFZZHCUHL-AWEZNQCLSA-N 1 0 379.428 3.546 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc(Br)cc2C#N)CC1 ZINC000297429032 919325549 /nfs/dbraw/zinc/32/55/49/919325549.db2.gz HSUDLCTYIZHRMB-ZDUSSCGKSA-N 1 0 386.297 3.748 20 30 GHEDRO CCC[N@H+](Cc1cc(C#N)ccc1F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114477316 919392464 /nfs/dbraw/zinc/39/24/64/919392464.db2.gz OHGGCRGSMUQIAP-UHFFFAOYSA-N 1 0 381.499 3.985 20 30 GHEDRO COc1cc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000119499746 919633304 /nfs/dbraw/zinc/63/33/04/919633304.db2.gz VTYYYSHXVHVHJZ-UHFFFAOYSA-N 1 0 399.922 3.743 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000900480639 920336998 /nfs/dbraw/zinc/33/69/98/920336998.db2.gz RPIXZDXBDXZEPQ-UHFFFAOYSA-N 1 0 379.508 3.639 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C)c(Br)c3)CC2)C1=O ZINC001275964806 920350643 /nfs/dbraw/zinc/35/06/43/920350643.db2.gz SXHGMGQFJMBQID-FQEVSTJZSA-N 1 0 389.337 3.595 20 30 GHEDRO CCOc1cc(C[NH2+]Cc2ccc(OCC#N)cc2)cc(Br)c1O ZINC000298521969 920626597 /nfs/dbraw/zinc/62/65/97/920626597.db2.gz RLVVQGRQWKHYMO-UHFFFAOYSA-N 1 0 391.265 3.746 20 30 GHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000800993266 920674615 /nfs/dbraw/zinc/67/46/15/920674615.db2.gz JHLRISVDOLJOFS-KNQAVFIVSA-N 1 0 376.500 3.583 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000298851195 920992871 /nfs/dbraw/zinc/99/28/71/920992871.db2.gz INRYJRSGABSFHI-SRGMZFCMSA-N 1 0 389.908 3.628 20 30 GHEDRO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]NC1C[C@H](C)O[C@@H](C)C1 ZINC000901312389 921007860 /nfs/dbraw/zinc/00/78/60/921007860.db2.gz YTPLNIQXRDOQBH-IRXDYDNUSA-N 1 0 381.524 3.660 20 30 GHEDRO N#CC(CC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)(c1ccccc1)c1ccccc1 ZINC000365638818 921037443 /nfs/dbraw/zinc/03/74/43/921037443.db2.gz WWBRNMRQRWPRBB-NFBKMPQASA-N 1 0 387.527 3.877 20 30 GHEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902877525 922574748 /nfs/dbraw/zinc/57/47/48/922574748.db2.gz UZWIUOGSHRZYKT-IRXDYDNUSA-N 1 0 380.492 3.660 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccccc3F)C3CCOCC3)CC2)nc1 ZINC000903090034 922765047 /nfs/dbraw/zinc/76/50/47/922765047.db2.gz VMWGRNKFLMHEOP-QHCPKHFHSA-N 1 0 394.494 3.819 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccnn3-c3ccccc3)CC2)cc1 ZINC000903169252 922827067 /nfs/dbraw/zinc/82/70/67/922827067.db2.gz DMKYGQCRCOSDAH-UHFFFAOYSA-N 1 0 385.515 3.541 20 30 GHEDRO N#Cc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(F)c1 ZINC000803906115 923364457 /nfs/dbraw/zinc/36/44/57/923364457.db2.gz BPRVMNZHPHZTPW-SFHVURJKSA-N 1 0 388.389 3.898 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000369856526 923684340 /nfs/dbraw/zinc/68/43/40/923684340.db2.gz NOZFLQWPCQIHEM-QHCPKHFHSA-N 1 0 376.504 3.612 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[NH+]2CCCC2)cc1 ZINC000409605951 924798775 /nfs/dbraw/zinc/79/87/75/924798775.db2.gz BDYOGIPYHDKAFE-QHCPKHFHSA-N 1 0 399.498 3.619 20 30 GHEDRO N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1c(F)ccc(Cl)c1F)CC2 ZINC001276052594 924927377 /nfs/dbraw/zinc/92/73/77/924927377.db2.gz DHHZKBSFUDQBGO-AWEZNQCLSA-N 1 0 381.854 3.640 20 30 GHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2C1 ZINC000409839693 925058301 /nfs/dbraw/zinc/05/83/01/925058301.db2.gz OMCXBMWGKULLBE-UHFFFAOYSA-N 1 0 385.471 3.968 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c(OC)c1 ZINC000679546623 925176093 /nfs/dbraw/zinc/17/60/93/925176093.db2.gz RGVCMHCUHXGVRW-USXIJHARSA-N 1 0 387.442 3.826 20 30 GHEDRO C=CCOCC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000679576516 925185812 /nfs/dbraw/zinc/18/58/12/925185812.db2.gz OVSUJYHZFHATTP-LJQANCHMSA-N 1 0 379.909 3.625 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC[C@@H]21 ZINC000827321864 925270242 /nfs/dbraw/zinc/27/02/42/925270242.db2.gz WKPATIPZCDCBLN-UGKGYDQZSA-N 1 0 375.472 3.711 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Br)C1CCOCC1 ZINC000827555249 925803866 /nfs/dbraw/zinc/80/38/66/925803866.db2.gz QOKMONXFPFXGML-HNNXBMFYSA-N 1 0 376.216 3.986 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(Nc3cccc(C#N)c3[N+](=O)[O-])cc2)CC1 ZINC000827655227 925906712 /nfs/dbraw/zinc/90/67/12/925906712.db2.gz OTNWYNMSRFEURL-UHFFFAOYSA-N 1 0 379.464 3.988 20 30 GHEDRO CN1CCC2(CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000373181986 925913166 /nfs/dbraw/zinc/91/31/66/925913166.db2.gz YAYVLAQDWYRPKM-UHFFFAOYSA-N 1 0 387.527 3.831 20 30 GHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCCc3cc(C#N)ccc32)[C@H](C(F)(F)F)C1 ZINC000411003757 925986077 /nfs/dbraw/zinc/98/60/77/925986077.db2.gz UULQOCPQPVPWSF-HZPDHXFCSA-N 1 0 379.426 3.746 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3ccc(Br)c4ccccc34)C2)C1=O ZINC001276158994 926292936 /nfs/dbraw/zinc/29/29/36/926292936.db2.gz SVLRVSGHYUOZTD-NRFANRHFSA-N 1 0 397.316 3.660 20 30 GHEDRO COc1ccc(OC)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000411444120 926397328 /nfs/dbraw/zinc/39/73/28/926397328.db2.gz ZOWHIVMHVXZSSO-ZDUSSCGKSA-N 1 0 387.867 3.908 20 30 GHEDRO COc1ccc(C2([NH2+]CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000411461865 926426127 /nfs/dbraw/zinc/42/61/27/926426127.db2.gz PHKAPJTWHYJVEL-UHFFFAOYSA-N 1 0 381.501 3.725 20 30 GHEDRO N#Cc1ccc(NC(=S)NCC2([NH+]3CCSCC3)CCCC2)cc1Cl ZINC000726461346 926680951 /nfs/dbraw/zinc/68/09/51/926680951.db2.gz QIIJRZWXDVBWDT-UHFFFAOYSA-N 1 0 394.997 3.860 20 30 GHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(N(C)C(=O)OCC)CC2)c1O ZINC000726966312 926961023 /nfs/dbraw/zinc/96/10/23/926961023.db2.gz KKUHWALUVXNTIW-UHFFFAOYSA-N 1 0 376.497 3.572 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)c2)c1 ZINC000374282966 926976871 /nfs/dbraw/zinc/97/68/71/926976871.db2.gz KEBMDEPDYSHOBH-FYYLOGMGSA-N 1 0 378.472 3.565 20 30 GHEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]c2cc(Br)ccc12 ZINC001276186333 926999400 /nfs/dbraw/zinc/99/94/00/926999400.db2.gz TZEOLIWRJIWJOY-QZTJIDSGSA-N 1 0 388.309 3.682 20 30 GHEDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC1 ZINC000412017186 927003103 /nfs/dbraw/zinc/00/31/03/927003103.db2.gz CLSNCDUINWVTGN-CQSZACIVSA-N 1 0 375.538 3.764 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412086193 927074050 /nfs/dbraw/zinc/07/40/50/927074050.db2.gz ZZMWMUILGRPSIH-MSOLQXFVSA-N 1 0 391.556 3.551 20 30 GHEDRO CON=Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1 ZINC000749605902 927210403 /nfs/dbraw/zinc/21/04/03/927210403.db2.gz DPWIMMYRTKCOMS-UHFFFAOYSA-N 1 0 383.517 3.776 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/C2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC000749844468 927309102 /nfs/dbraw/zinc/30/91/02/927309102.db2.gz KDLDLICCRAHMGJ-HZHRSRAPSA-N 1 0 381.524 3.733 20 30 GHEDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000750038230 927399966 /nfs/dbraw/zinc/39/99/66/927399966.db2.gz JGAZPGLELCHNMU-KRWDZBQOSA-N 1 0 387.405 3.803 20 30 GHEDRO N#CC1(NC(=O)CCc2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000374866217 927622216 /nfs/dbraw/zinc/62/22/16/927622216.db2.gz UTTDOEAYGKVMHH-UHFFFAOYSA-N 1 0 383.442 3.572 20 30 GHEDRO C#CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000751005303 927977115 /nfs/dbraw/zinc/97/71/15/927977115.db2.gz QXWVHHLDWSKBSD-WIYYLYMNSA-N 1 0 377.488 3.873 20 30 GHEDRO N#Cc1ccc([C@H](O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000751581088 928259539 /nfs/dbraw/zinc/25/95/39/928259539.db2.gz ORJXXCQPRWHCEV-RUZDIDTESA-N 1 0 395.506 3.979 20 30 GHEDRO COc1cc2[nH+]ccc(N3CCO[C@H](c4cccc(C#N)c4)C3)c2cc1OC ZINC000413215716 928328371 /nfs/dbraw/zinc/32/83/71/928328371.db2.gz PKCBALMUXONPER-QFIPXVFZSA-N 1 0 375.428 3.702 20 30 GHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000543996291 928664326 /nfs/dbraw/zinc/66/43/26/928664326.db2.gz DWGPDBXJKLUVBO-CYBMUJFWSA-N 1 0 399.516 3.920 20 30 GHEDRO C[C@@H](CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[NH+]1CCCCC1 ZINC000544231213 928959479 /nfs/dbraw/zinc/95/94/79/928959479.db2.gz QXPSNRWMEDFATC-INIZCTEOSA-N 1 0 397.548 3.992 20 30 GHEDRO C=CCOc1c(Br)cc(CN(C)CCC[NH+]2CCCC2)cc1OC ZINC000467521227 929154585 /nfs/dbraw/zinc/15/45/85/929154585.db2.gz YDVDDHYMLHMFTG-UHFFFAOYSA-N 1 0 397.357 3.940 20 30 GHEDRO C=CCN(C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1)C(C)C ZINC000753331303 929306992 /nfs/dbraw/zinc/30/69/92/929306992.db2.gz PUBYQXLUYFKCBN-UHFFFAOYSA-N 1 0 394.947 3.840 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000469234921 929720207 /nfs/dbraw/zinc/72/02/07/929720207.db2.gz QEFYEFJXENAJJO-PZJWPPBQSA-N 1 0 393.487 3.986 20 30 GHEDRO C[C@@H]1CC(N=Nc2nc(Br)cn3ccnc23)C[N@@H+]1Cc1ccccc1 ZINC000757585185 929736593 /nfs/dbraw/zinc/73/65/93/929736593.db2.gz YQCBPHSZZSEIDB-CYBMUJFWSA-N 1 0 399.296 3.554 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000757606440 929741610 /nfs/dbraw/zinc/74/16/10/929741610.db2.gz PWJFQFFRXOPFQT-VXKWHMMOSA-N 1 0 391.515 3.896 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000757638521 929754531 /nfs/dbraw/zinc/75/45/31/929754531.db2.gz LZGMTXYEZMJKQJ-AOMKIAJQSA-N 1 0 389.499 3.989 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1(C#N)CCC1 ZINC000469288258 929764134 /nfs/dbraw/zinc/76/41/34/929764134.db2.gz HRQWBSYKUHDJEC-IRXDYDNUSA-N 1 0 390.487 3.540 20 30 GHEDRO C#CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)[NH2+]C2(C)C ZINC000757781123 929797849 /nfs/dbraw/zinc/79/78/49/929797849.db2.gz NLEUBZCKCXQFCH-UHFFFAOYSA-N 1 0 376.522 3.826 20 30 GHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000469436758 929885431 /nfs/dbraw/zinc/88/54/31/929885431.db2.gz QGGGESNVRLMXNL-JOCHJYFZSA-N 1 0 378.520 3.856 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)cc1 ZINC000758496991 930061938 /nfs/dbraw/zinc/06/19/38/930061938.db2.gz WVWYSLJRIPBKMW-NQIIRXRSSA-N 1 0 381.545 3.685 20 30 GHEDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H]1C ZINC000469863656 930215418 /nfs/dbraw/zinc/21/54/18/930215418.db2.gz PODZHPDYORNGFP-JXFKEZNVSA-N 1 0 394.471 3.529 20 30 GHEDRO COc1ccc(C(C)N=Nc2ncccc2[N+](=O)[O-])cc1C[NH+]1CCCCC1 ZINC000759202049 930307894 /nfs/dbraw/zinc/30/78/94/930307894.db2.gz ACQVCKWIGDKNFB-UHFFFAOYSA-N 1 0 383.452 3.820 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000470317828 930526966 /nfs/dbraw/zinc/52/69/66/930526966.db2.gz OHEUIGPXNRFCBX-UHFFFAOYSA-N 1 0 389.499 3.741 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000547418258 930998037 /nfs/dbraw/zinc/99/80/37/930998037.db2.gz PLHIXBJFQJQQJJ-KXBFYZLASA-N 1 0 384.505 3.833 20 30 GHEDRO C[C@@H]1OCC[C@]12C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCO2 ZINC000470951833 931053940 /nfs/dbraw/zinc/05/39/40/931053940.db2.gz YTSQYBOEGPWYSY-RDPSFJRHSA-N 1 0 376.500 3.766 20 30 GHEDRO CC1CC[NH+](CCc2cccc(NC(=O)NCc3ccc(C#N)cn3)c2)CC1 ZINC000782065052 931079351 /nfs/dbraw/zinc/07/93/51/931079351.db2.gz OVFHBROJSUZELL-UHFFFAOYSA-N 1 0 377.492 3.549 20 30 GHEDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000782505588 931246093 /nfs/dbraw/zinc/24/60/93/931246093.db2.gz PIUYLJRWDORPAN-UHFFFAOYSA-N 1 0 386.540 3.633 20 30 GHEDRO Cc1ccccc1[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCC[C@H](C)C1 ZINC000782764632 931329539 /nfs/dbraw/zinc/32/95/39/931329539.db2.gz IHIITNVBMYCKNE-DDDRSUBFSA-N 1 0 381.520 3.978 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000783328472 931521247 /nfs/dbraw/zinc/52/12/47/931521247.db2.gz CEBDPYJEOPFWBH-NHHFINERSA-N 1 0 375.563 3.612 20 30 GHEDRO N#CCN1CCC([NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000924998080 931608053 /nfs/dbraw/zinc/60/80/53/931608053.db2.gz DJEFYAVZSRZSDX-IBGZPJMESA-N 1 0 385.309 3.511 20 30 GHEDRO COC1([C@H]([NH2+]C2CCN(CC#N)CC2)c2cccc(C(F)(F)F)c2)CCC1 ZINC000924999390 931608497 /nfs/dbraw/zinc/60/84/97/931608497.db2.gz IPSZZEGFFFKFQD-GOSISDBHSA-N 1 0 381.442 3.893 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(C(=O)OCC)cc1)[n+]1ccc(CC)cc1 ZINC000783958078 931731616 /nfs/dbraw/zinc/73/16/16/931731616.db2.gz JZIDYFDCSMKLRN-UHFFFAOYSA-O 1 0 397.520 3.700 20 30 GHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1OC ZINC000558152749 931860676 /nfs/dbraw/zinc/86/06/76/931860676.db2.gz PTLCDZVYCNOPCN-ROUUACIJSA-N 1 0 395.503 3.998 20 30 GHEDRO Cc1ccc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000784386853 931877405 /nfs/dbraw/zinc/87/74/05/931877405.db2.gz CXPMATDICZRZQB-UHFFFAOYSA-N 1 0 394.544 3.568 20 30 GHEDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1C#N ZINC000784512647 931920474 /nfs/dbraw/zinc/92/04/74/931920474.db2.gz FTSQVFZKCOEMCW-WDSOQIARSA-N 1 0 385.508 3.692 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000558323192 931940469 /nfs/dbraw/zinc/94/04/69/931940469.db2.gz HWQPZIOINSFWNI-UHFFFAOYSA-N 1 0 386.402 3.508 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925901163 931948019 /nfs/dbraw/zinc/94/80/19/931948019.db2.gz BUXDARHULGXCME-OAQYLSRUSA-N 1 0 379.508 3.566 20 30 GHEDRO CCCc1c(NC(=O)CCCC[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000784716422 931986398 /nfs/dbraw/zinc/98/63/98/931986398.db2.gz TZRJWIPCMIIFNV-UHFFFAOYSA-N 1 0 379.508 3.901 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000796647019 932018439 /nfs/dbraw/zinc/01/84/39/932018439.db2.gz AGQAIEDAZWGKJM-SQNIBIBYSA-N 1 0 379.545 3.711 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796758421 932055844 /nfs/dbraw/zinc/05/58/44/932055844.db2.gz FEVCPJJSYBWZPZ-FQEVSTJZSA-N 1 0 384.524 3.516 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000796759551 932057634 /nfs/dbraw/zinc/05/76/34/932057634.db2.gz JTKQYUQZVSKDJX-NZSAHSFTSA-N 1 0 390.524 3.659 20 30 GHEDRO COC1(CC[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000926482676 932201063 /nfs/dbraw/zinc/20/10/63/932201063.db2.gz PIBJMCKXAMJXAN-KRWDZBQOSA-N 1 0 379.545 3.855 20 30 GHEDRO COC1(CC[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000926482677 932201321 /nfs/dbraw/zinc/20/13/21/932201321.db2.gz PIBJMCKXAMJXAN-QGZVFWFLSA-N 1 0 379.545 3.855 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)O[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000797269091 932236800 /nfs/dbraw/zinc/23/68/00/932236800.db2.gz WTIFMGBWYVTYHI-NRFANRHFSA-N 1 0 378.447 3.937 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)COCC1CC1 ZINC000926653530 932262434 /nfs/dbraw/zinc/26/24/34/932262434.db2.gz YIFJOMXXNLHRTF-SJORKVTESA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCOC1(C)C ZINC000926726017 932283653 /nfs/dbraw/zinc/28/36/53/932283653.db2.gz FRBBNYYCJMPHDI-IRXDYDNUSA-N 1 0 379.545 3.711 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000558978234 932350608 /nfs/dbraw/zinc/35/06/08/932350608.db2.gz CJPJCAVDNNLNDE-AZUAARDMSA-N 1 0 392.551 3.678 20 30 GHEDRO CC1([NH+]2CCC2)CCC(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000927298497 932490825 /nfs/dbraw/zinc/49/08/25/932490825.db2.gz JCEMDJFCCRLHLC-HFCFLWKCSA-N 1 0 394.441 3.868 20 30 GHEDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000559369275 932632829 /nfs/dbraw/zinc/63/28/29/932632829.db2.gz DVGVMWDGIVYBED-ZDUSSCGKSA-N 1 0 386.521 3.756 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000799125624 932883210 /nfs/dbraw/zinc/88/32/10/932883210.db2.gz RFSRHPAQKZPMFU-ROUUACIJSA-N 1 0 379.545 3.712 20 30 GHEDRO FC(F)C1CCC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000799469091 933016338 /nfs/dbraw/zinc/01/63/38/933016338.db2.gz IQOJLCABLFBSKD-UHFFFAOYSA-N 1 0 394.535 3.926 20 30 GHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000560485724 933284858 /nfs/dbraw/zinc/28/48/58/933284858.db2.gz SSQKNHDIAYVZGE-HXUWFJFHSA-N 1 0 381.472 3.743 20 30 GHEDRO C[C@H](CN1CCOCC1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000929607849 933538854 /nfs/dbraw/zinc/53/88/54/933538854.db2.gz CSFZARZITMPYJN-GCJKJVERSA-N 1 0 392.503 3.526 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3ccc(CC#N)cc3)cc2)C1 ZINC001116477134 933581507 /nfs/dbraw/zinc/58/15/07/933581507.db2.gz OZLUKYREAGUCJD-QGZVFWFLSA-N 1 0 383.517 3.785 20 30 GHEDRO C=CCO[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)C1 ZINC001116568378 933638979 /nfs/dbraw/zinc/63/89/79/933638979.db2.gz UBYNCMHBPAPEFD-VQIMIIECSA-N 1 0 379.932 3.709 20 30 GHEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CC3CCC(C#N)CC3)CC2)cs1 ZINC000929818350 933650153 /nfs/dbraw/zinc/65/01/53/933650153.db2.gz SCGHJSCKESLPSN-AOCRQIFASA-N 1 0 376.570 3.688 20 30 GHEDRO C=CC[C@H]1NC(=O)N(CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1=O ZINC001116788466 933756957 /nfs/dbraw/zinc/75/69/57/933756957.db2.gz JHPWSEDNSFPIOW-OAQYLSRUSA-N 1 0 377.488 3.575 20 30 GHEDRO CC[NH+](CC)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC001116920646 933829183 /nfs/dbraw/zinc/82/91/83/933829183.db2.gz FOLITTOCFUQDBK-UHFFFAOYSA-N 1 0 384.402 3.795 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000930249431 933938676 /nfs/dbraw/zinc/93/86/76/933938676.db2.gz QZNGYMUQMIMCLD-CQSZACIVSA-N 1 0 380.414 3.773 20 30 GHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000930249430 933938782 /nfs/dbraw/zinc/93/87/82/933938782.db2.gz QZNGYMUQMIMCLD-AWEZNQCLSA-N 1 0 380.414 3.773 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNc2nccc(C#N)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561258865 933996506 /nfs/dbraw/zinc/99/65/06/933996506.db2.gz ZQGFFCSINLEYQF-SUMWQHHRSA-N 1 0 379.266 3.926 20 30 GHEDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000561383181 934099470 /nfs/dbraw/zinc/09/94/70/934099470.db2.gz GYSLVQXUYRCBEG-HDICACEKSA-N 1 0 377.488 3.692 20 30 GHEDRO C#Cc1cccc(NC(=S)N[C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000777926734 934202972 /nfs/dbraw/zinc/20/29/72/934202972.db2.gz GDVKUOSSYKAIHN-FCHUYYIVSA-N 1 0 391.540 3.941 20 30 GHEDRO COc1cc(C#N)ccc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000931294039 934487263 /nfs/dbraw/zinc/48/72/63/934487263.db2.gz LDSYFYMZEZYZGF-UHFFFAOYSA-N 1 0 381.501 3.676 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccccc1OCC(=O)N(C)C ZINC000561974474 934598064 /nfs/dbraw/zinc/59/80/64/934598064.db2.gz BCTQXDIMNRQQPD-UHFFFAOYSA-N 1 0 384.524 3.509 20 30 GHEDRO Cn1c(N2CCC(C[NH+]3CCCCCC3)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001121373621 934640992 /nfs/dbraw/zinc/64/09/92/934640992.db2.gz KOLIGHBKFNPKET-QHCPKHFHSA-N 1 0 396.583 3.633 20 30 GHEDRO C=CCn1c([C@@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001121495466 934674202 /nfs/dbraw/zinc/67/42/02/934674202.db2.gz ICVJVSGUEJIGHZ-SBHAEUEKSA-N 1 0 399.583 3.797 20 30 GHEDRO CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000932285451 934867958 /nfs/dbraw/zinc/86/79/58/934867958.db2.gz OOIKRYPNFDZKTR-CVEARBPZSA-N 1 0 396.453 3.743 20 30 GHEDRO C=C(C)Cn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001122442186 934870893 /nfs/dbraw/zinc/87/08/93/934870893.db2.gz YUIKCECJPXFPBG-AZUAARDMSA-N 1 0 378.524 3.787 20 30 GHEDRO C=C(C)Cn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@@H](CC)OCC ZINC001122485571 934881158 /nfs/dbraw/zinc/88/11/58/934881158.db2.gz MCNTUJFKSSDUNN-GOSISDBHSA-N 1 0 387.532 3.549 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC2(CCSCC2)CC1 ZINC001122514983 934887522 /nfs/dbraw/zinc/88/75/22/934887522.db2.gz ZFZZOTBANIUNKP-GOSISDBHSA-N 1 0 389.613 3.777 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001122544209 934895414 /nfs/dbraw/zinc/89/54/14/934895414.db2.gz SOSKUBOOIOSARC-FQEVSTJZSA-N 1 0 393.535 3.663 20 30 GHEDRO C=C(C)Cn1c([C@H](C)[C@@H](O)CC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001122645444 934932385 /nfs/dbraw/zinc/93/23/85/934932385.db2.gz CAWQBAUHNCMNEV-MOPGFXCFSA-N 1 0 389.588 3.573 20 30 GHEDRO CC(C)Cn1c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C(C)(C)CC#N ZINC001122704384 934956286 /nfs/dbraw/zinc/95/62/86/934956286.db2.gz ZUGZEIKSHSWWEO-HKUYNNGSSA-N 1 0 384.572 3.578 20 30 GHEDRO CCOC(=O)c1sc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC001124069441 935337710 /nfs/dbraw/zinc/33/77/10/935337710.db2.gz ZLXHHNYYQNMTCP-INIZCTEOSA-N 1 0 397.500 3.566 20 30 GHEDRO C[NH+]1CCC(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)CC1 ZINC001124169741 935352241 /nfs/dbraw/zinc/35/22/41/935352241.db2.gz XNYGWVBJGZSYSW-AWEZNQCLSA-N 1 0 389.565 3.820 20 30 GHEDRO CC(C)[C@@H](C#N)N1CC[NH+](CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000828098235 935578071 /nfs/dbraw/zinc/57/80/71/935578071.db2.gz JIKOHQDCWMMFJO-HXUWFJFHSA-N 1 0 392.588 3.579 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)c(Br)c3)C2)C1=O ZINC001137553474 935582195 /nfs/dbraw/zinc/58/21/95/935582195.db2.gz IUFHOPHSJQCGKW-SFHVURJKSA-N 1 0 381.289 3.589 20 30 GHEDRO C#CCn1ccc(C[N@H+](CC)CCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000828444929 935633723 /nfs/dbraw/zinc/63/37/23/935633723.db2.gz UHGGSXAOXLVLFO-UHFFFAOYSA-N 1 0 388.556 3.766 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000830018660 935890665 /nfs/dbraw/zinc/89/06/65/935890665.db2.gz QJAMJKLKDNQGSX-HXUWFJFHSA-N 1 0 377.444 3.629 20 30 GHEDRO C=CC[N@@H+](Cc1cc2c(ccnc2Cl)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573342461 947542500 /nfs/dbraw/zinc/54/25/00/947542500.db2.gz YXOHCJANGAFHND-UHFFFAOYSA-N 1 0 380.839 3.850 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 ZINC001625871704 1014273310 /nfs/dbraw/zinc/27/33/10/1014273310.db2.gz QRMMJWDVLXSIHJ-OAQYLSRUSA-N 1 0 383.442 3.816 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)CC#N ZINC001545674991 1014882730 /nfs/dbraw/zinc/88/27/30/1014882730.db2.gz PGQJLDBGSMBRKJ-RTBURBONSA-N 1 0 382.556 3.646 20 30 GHEDRO CCCC[N@H+](CC)CCNC(=S)Nc1ccc(C#N)cc1Br ZINC001201130510 1014989001 /nfs/dbraw/zinc/98/90/01/1014989001.db2.gz JNLMZFVXESSXQE-UHFFFAOYSA-N 1 0 383.359 3.729 20 30 GHEDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000411973865 1015067087 /nfs/dbraw/zinc/06/70/87/1015067087.db2.gz SKBUNNLZWITNPH-SIFCLUCFSA-N 1 0 375.538 3.670 20 30 GHEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000468010901 1015139336 /nfs/dbraw/zinc/13/93/36/1015139336.db2.gz CSHUIOZKXUPAQM-HOTGVXAUSA-N 1 0 376.460 3.622 20 30 GHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000468466148 1015728670 /nfs/dbraw/zinc/72/86/70/1015728670.db2.gz HDHPHTNAVVRZSC-LJQANCHMSA-N 1 0 381.476 3.580 20 30 GHEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)ccc1OCCC(C)C ZINC000468789283 1016034583 /nfs/dbraw/zinc/03/45/83/1016034583.db2.gz BOUUYFSWEPXBIC-IAGOWNOFSA-N 1 0 387.524 3.722 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCOc3cccc(Cl)c3)CC2)c1 ZINC000470453497 1016789181 /nfs/dbraw/zinc/78/91/81/1016789181.db2.gz OBBJKGZLJOVDMJ-UHFFFAOYSA-N 1 0 383.879 3.941 20 30 GHEDRO CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000547426425 1016918671 /nfs/dbraw/zinc/91/86/71/1016918671.db2.gz QIEJLGJZFHCMKK-RZFJCUDFSA-N 1 0 382.552 3.908 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(SC(C)C)nc4sccn34)C2)C1=O ZINC001277175223 1032241597 /nfs/dbraw/zinc/24/15/97/1032241597.db2.gz AGFSUYRIERNHSU-IBGZPJMESA-N 1 0 390.578 3.507 20 30 GHEDRO Cc1ccc2nc(-n3nc(C(F)(F)F)c4c3CC[NH2+]C4)c(C#N)c(Cl)c2c1 ZINC001154854577 1032312726 /nfs/dbraw/zinc/31/27/26/1032312726.db2.gz HPGQGVOQMDBGFE-UHFFFAOYSA-N 1 0 391.784 3.919 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001221196306 1032326216 /nfs/dbraw/zinc/32/62/16/1032326216.db2.gz PKRNPEUNFQNMKH-FCHUYYIVSA-N 1 0 389.886 3.987 20 30 GHEDRO COc1ccc(-c2coc3cc(O[C@H](CC#N)C[N+](C)(C)C)ccc3c2=O)cc1 ZINC001227283772 1032353855 /nfs/dbraw/zinc/35/38/55/1032353855.db2.gz QUWOINPXLTURRG-LJQANCHMSA-N 1 0 393.463 3.836 20 30 GHEDRO N#C[C@@H](c1ccc(N2CCN3CCc4ccccc4[C@H]3C2)nn1)c1ccccc1F ZINC001155094589 1032411711 /nfs/dbraw/zinc/41/17/11/1032411711.db2.gz CTFXJMKQIDNXPS-NFBKMPQASA-N 1 0 399.473 3.691 20 30 GHEDRO Cc1nc(C#Cc2ccnc(N[C@@H]3CC[NH2+][C@@H]3C)c2)c(C)n1-c1ccc(F)cc1 ZINC001155188025 1032450190 /nfs/dbraw/zinc/45/01/90/1032450190.db2.gz MJMJCKDTTDJZRL-QVKFZJNVSA-N 1 0 389.478 3.585 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000558009738 1017090825 /nfs/dbraw/zinc/09/08/25/1017090825.db2.gz AFVLBPCXGQPSSD-GCJKJVERSA-N 1 0 389.499 3.836 20 30 GHEDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925693902 1017137964 /nfs/dbraw/zinc/13/79/64/1017137964.db2.gz SKAXLYPUIBCUKQ-RCCFBDPRSA-N 1 0 379.545 3.711 20 30 GHEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)CCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000558439932 1017200786 /nfs/dbraw/zinc/20/07/86/1017200786.db2.gz ARCAHHQHWNEENK-QGZVFWFLSA-N 1 0 385.961 3.582 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001227944202 1032708449 /nfs/dbraw/zinc/70/84/49/1032708449.db2.gz QVXKCWNBLYQOPI-KRWDZBQOSA-N 1 0 384.549 3.742 20 30 GHEDRO CN(C)c1cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000560528379 1017652902 /nfs/dbraw/zinc/65/29/02/1017652902.db2.gz PMGWHJBIPZDCHK-UHFFFAOYSA-N 1 0 385.515 3.931 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561185849 1017803900 /nfs/dbraw/zinc/80/39/00/1017803900.db2.gz KOSSTQGLWNVCAT-RAKGIWIYSA-N 1 0 388.515 3.974 20 30 GHEDRO N#Cc1c(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc2cc(Cl)ccn21 ZINC000561337102 1017843589 /nfs/dbraw/zinc/84/35/89/1017843589.db2.gz AZVBZSMSSKGKTQ-SFHVURJKSA-N 1 0 395.894 3.562 20 30 GHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001155828374 1032728675 /nfs/dbraw/zinc/72/86/75/1032728675.db2.gz IYVSDNSZZQPPFW-FXAWDEMLSA-N 1 0 399.882 3.507 20 30 GHEDRO C[C@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562367656 1018126200 /nfs/dbraw/zinc/12/62/00/1018126200.db2.gz JNZIOZPJHQSPGD-DZGCQCFKSA-N 1 0 395.528 3.678 20 30 GHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCCO1 ZINC000562499152 1018234810 /nfs/dbraw/zinc/23/48/10/1018234810.db2.gz HTHSAMYTYVNQPW-CABCVRRESA-N 1 0 375.538 3.574 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)c(OC)c(Cl)c3)CC2)C1=O ZINC001276452978 1032751332 /nfs/dbraw/zinc/75/13/32/1032751332.db2.gz HYEYNJFULFKTRA-FQEVSTJZSA-N 1 0 380.891 3.878 20 30 GHEDRO N#Cc1cnc(N(c2ncccn2)C2C[NH2+]C2)c2cc(-c3ccccc3)sc21 ZINC001155871430 1032753383 /nfs/dbraw/zinc/75/33/83/1032753383.db2.gz BBIVUIGCDGAMHQ-UHFFFAOYSA-N 1 0 384.468 3.735 20 30 GHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000562784894 1018639550 /nfs/dbraw/zinc/63/95/50/1018639550.db2.gz JMZDCQCFNUTMOU-WAOWUJCRSA-N 1 0 390.535 3.559 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CC#N)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000932914096 1018750350 /nfs/dbraw/zinc/75/03/50/1018750350.db2.gz FEDZVQADDJVELL-PVAVHDDUSA-N 1 0 382.430 3.525 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C[NH+]1CCCC1 ZINC000564131928 1019014489 /nfs/dbraw/zinc/01/44/89/1019014489.db2.gz HFUOYCPCKOUQOZ-INIZCTEOSA-N 1 0 379.464 3.599 20 30 GHEDRO CC(C)c1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)n(-c2ccccc2)n1 ZINC000564761000 1019110144 /nfs/dbraw/zinc/11/01/44/1019110144.db2.gz NEJCGOZJVBIMKK-UHFFFAOYSA-N 1 0 382.512 3.695 20 30 GHEDRO CCCCCCCOc1ccc(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)cc1 ZINC001204368040 1032808996 /nfs/dbraw/zinc/80/89/96/1032808996.db2.gz CUTAOPFJOVRSPJ-HKUYNNGSSA-N 1 0 389.458 3.896 20 30 GHEDRO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](Cc2ccccc2C#N)C1 ZINC001204367464 1032809793 /nfs/dbraw/zinc/80/97/93/1032809793.db2.gz KJZCNZCRRWYIBR-RUZDIDTESA-N 1 0 396.494 3.998 20 30 GHEDRO N#Cc1ccccc1C[NH+]1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001204368623 1032811307 /nfs/dbraw/zinc/81/13/07/1032811307.db2.gz ZNMGOKKSQPMGKK-UHFFFAOYSA-N 1 0 379.479 3.564 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001204368505 1032811753 /nfs/dbraw/zinc/81/17/53/1032811753.db2.gz YCXWFXXFZWJEDD-ZEQRLZLVSA-N 1 0 379.548 3.519 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc1 ZINC000042656086 1019387796 /nfs/dbraw/zinc/38/77/96/1019387796.db2.gz YLKLIEGVAJDVKD-UHFFFAOYSA-N 1 0 387.443 3.727 20 30 GHEDRO Cc1ccc([C@@H](C#N)c2ccc(NCc3cccnc3C3CC[NH2+]CC3)nn2)cc1 ZINC001155994950 1032827825 /nfs/dbraw/zinc/82/78/25/1032827825.db2.gz NLXZBUKQBPEXIQ-OAQYLSRUSA-N 1 0 398.514 3.915 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCCC2 ZINC000568643023 1019434736 /nfs/dbraw/zinc/43/47/36/1019434736.db2.gz LUNMRBHHGXWRIE-BEFAXECRSA-N 1 0 379.529 3.950 20 30 GHEDRO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000569917659 1019536170 /nfs/dbraw/zinc/53/61/70/1019536170.db2.gz ZJOBMMQGVYTYBV-DVECYGJZSA-N 1 0 388.515 3.540 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000572835788 1019808462 /nfs/dbraw/zinc/80/84/62/1019808462.db2.gz WJDPDNXNJAADTJ-UHFFFAOYSA-N 1 0 386.492 3.787 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](CC)CC1 ZINC000574495091 1019882810 /nfs/dbraw/zinc/88/28/10/1019882810.db2.gz OIJIYGQNMOWYAV-UHFFFAOYSA-N 1 0 376.508 3.601 20 30 GHEDRO C=CCc1cc(OC)c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C(=O)OC)c1 ZINC001228244929 1032860414 /nfs/dbraw/zinc/86/04/14/1032860414.db2.gz LORNXDRGRAUONB-IBGZPJMESA-N 1 0 381.472 3.864 20 30 GHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000577041104 1020111286 /nfs/dbraw/zinc/11/12/86/1020111286.db2.gz OKWOSGVXDIWZMR-CTWPCTMYSA-N 1 0 380.496 3.673 20 30 GHEDRO CC[C@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000577168776 1020140218 /nfs/dbraw/zinc/14/02/18/1020140218.db2.gz OULGOYALCWAHNU-INIZCTEOSA-N 1 0 382.512 3.630 20 30 GHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCOc1ccc(C#N)cc1OC ZINC000579330604 1020405902 /nfs/dbraw/zinc/40/59/02/1020405902.db2.gz OZDZQQUSMLTJLJ-HXUWFJFHSA-N 1 0 389.883 3.831 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN(C)CC2([NH+](C)C)CCC2)c1=S ZINC000189793193 1020501813 /nfs/dbraw/zinc/50/18/13/1020501813.db2.gz RCAGKKUUMNCOBO-UHFFFAOYSA-N 1 0 377.583 3.702 20 30 GHEDRO CCC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)cc1 ZINC000190604102 1020707293 /nfs/dbraw/zinc/70/72/93/1020707293.db2.gz KTYRZJKFSUILOU-FGZHOGPDSA-N 1 0 377.488 3.799 20 30 GHEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000192022008 1020841372 /nfs/dbraw/zinc/84/13/72/1020841372.db2.gz PHBZCENFJNCXAP-INIZCTEOSA-N 1 0 382.357 3.588 20 30 GHEDRO C=CCn1c(C2CC2)nn(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1=S ZINC000078810749 1020842211 /nfs/dbraw/zinc/84/22/11/1020842211.db2.gz RYYGZJUVEMLHMF-UHFFFAOYSA-N 1 0 383.565 3.561 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000649651517 1021168863 /nfs/dbraw/zinc/16/88/63/1021168863.db2.gz OCQSNUUHNSWAIS-QGZVFWFLSA-N 1 0 399.560 3.934 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2nnc(Cl)cc2C#N)cc1 ZINC001156293592 1032962458 /nfs/dbraw/zinc/96/24/58/1032962458.db2.gz GJRJFIKHQFKCAP-KRWDZBQOSA-N 1 0 385.899 3.501 20 30 GHEDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000800989214 1021353547 /nfs/dbraw/zinc/35/35/47/1021353547.db2.gz ASPAPQFPJUVBHG-RHSMWYFYSA-N 1 0 393.915 3.716 20 30 GHEDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000800989213 1021353799 /nfs/dbraw/zinc/35/37/99/1021353799.db2.gz ASPAPQFPJUVBHG-PBHICJAKSA-N 1 0 393.915 3.716 20 30 GHEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902866808 1021545243 /nfs/dbraw/zinc/54/52/43/1021545243.db2.gz NUYAJHNRNAMNFW-ZDUSSCGKSA-N 1 0 387.281 3.704 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCOC12CCCC2 ZINC000903388083 1021598101 /nfs/dbraw/zinc/59/81/01/1021598101.db2.gz JOQRNOSOJWTGNY-ROUUACIJSA-N 1 0 391.556 3.997 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ncn(Cc3cccc(F)c3)n2)c(O)c1 ZINC000780150889 1021669980 /nfs/dbraw/zinc/66/99/80/1021669980.db2.gz ZEMAZFBSLXMPHR-FSJBWODESA-N 1 0 381.455 3.636 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc3ccc(Cl)cn13)C2 ZINC001140427656 1021678136 /nfs/dbraw/zinc/67/81/36/1021678136.db2.gz DVHORVHCMMSLME-QUCCMNQESA-N 1 0 375.900 3.561 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)nc(C(F)(F)F)c1)CC2 ZINC001277315709 1032997842 /nfs/dbraw/zinc/99/78/42/1032997842.db2.gz MGHZKXZOHVGEGM-ZDUSSCGKSA-N 1 0 387.833 3.658 20 30 GHEDRO COc1ccc2ccccc2c1CN[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000835006499 1021764660 /nfs/dbraw/zinc/76/46/60/1021764660.db2.gz GASBPGZGPSANBP-UHFFFAOYSA-N 1 0 381.501 3.870 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2cccc(C(=O)OC)c2F)ccc1O ZINC000835018616 1021772348 /nfs/dbraw/zinc/77/23/48/1021772348.db2.gz QYPFWODHTLAMRY-UHFFFAOYSA-N 1 0 387.455 3.996 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)ccc1O ZINC001140575422 1021994029 /nfs/dbraw/zinc/99/40/29/1021994029.db2.gz MYMDLQOMIFHNQN-XMMPIXPASA-N 1 0 391.515 3.691 20 30 GHEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)c1 ZINC001140598699 1022041327 /nfs/dbraw/zinc/04/13/27/1022041327.db2.gz AMWAKXBLNJLCIM-UHFFFAOYSA-N 1 0 394.906 3.735 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C2)c1 ZINC001140664094 1022206356 /nfs/dbraw/zinc/20/63/56/1022206356.db2.gz YLSZBOYSTATFCN-QFIPXVFZSA-N 1 0 395.478 3.577 20 30 GHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@H]21 ZINC001140754325 1022439093 /nfs/dbraw/zinc/43/90/93/1022439093.db2.gz VLBJQOOOCNQTBA-HCLVMJGWSA-N 1 0 396.485 3.964 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]21 ZINC001140755773 1022445488 /nfs/dbraw/zinc/44/54/88/1022445488.db2.gz SAUVXEGKTTVWHP-JCKWVBRZSA-N 1 0 377.435 3.572 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1-c1ccccc1 ZINC000754106668 1022486138 /nfs/dbraw/zinc/48/61/38/1022486138.db2.gz SISKZYDVOVTGAR-GAJHUEQPSA-N 1 0 399.498 3.504 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1Cl ZINC001140811172 1022599439 /nfs/dbraw/zinc/59/94/39/1022599439.db2.gz LWPHJPBVMRTAHF-QFIPXVFZSA-N 1 0 394.906 3.621 20 30 GHEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1Cl ZINC001140813249 1022610317 /nfs/dbraw/zinc/61/03/17/1022610317.db2.gz AMXIEGFDZGEXDP-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754314678 1022610686 /nfs/dbraw/zinc/61/06/86/1022610686.db2.gz NEDGEKLQXIWTPL-MJGOQNOKSA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccc(C#N)c3Cl)CC[C@@H]21 ZINC001140813890 1022611614 /nfs/dbraw/zinc/61/16/14/1022611614.db2.gz UYPZCHHHLQUQBS-HKBOAZHASA-N 1 0 397.954 3.782 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](CCO)c2cccs2)c1 ZINC000754394540 1022668876 /nfs/dbraw/zinc/66/88/76/1022668876.db2.gz IZGMIOBAYKSXNR-MJGOQNOKSA-N 1 0 385.533 3.713 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)c(C(F)(F)F)c(F)c3)C2)C1=O ZINC001140879142 1022778331 /nfs/dbraw/zinc/77/83/31/1022778331.db2.gz RIHTXQDOOUBEJJ-SFHVURJKSA-N 1 0 388.380 3.984 20 30 GHEDRO C[C@@H]1CN(C(=O)Nc2cccc(OCC#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000836291207 1022829897 /nfs/dbraw/zinc/82/98/97/1022829897.db2.gz PVFVAKOURSNGRC-SFHVURJKSA-N 1 0 378.476 3.575 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1F ZINC000754868315 1022939974 /nfs/dbraw/zinc/93/99/74/1022939974.db2.gz CVHAIJRCQUEIFY-UHFFFAOYSA-N 1 0 396.466 3.553 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000836488980 1023025412 /nfs/dbraw/zinc/02/54/12/1023025412.db2.gz SMBYGLDPIFVLOU-QGZVFWFLSA-N 1 0 384.549 3.776 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(=NNc1nc3cc(F)c(F)cc3[nH]1)c1ccccc1O2 ZINC000755631153 1023318805 /nfs/dbraw/zinc/31/88/05/1023318805.db2.gz JTQRWWPNNMOGRW-UHFFFAOYSA-N 1 0 397.429 3.904 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(N=Nc1nc(-c3ccccc3)no1)c1ccccc1O2 ZINC000755682271 1023335419 /nfs/dbraw/zinc/33/54/19/1023335419.db2.gz CKGVEENGTHMROB-UHFFFAOYSA-N 1 0 389.459 3.800 20 30 GHEDRO N#Cc1c(N)sc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1Cl ZINC001141110142 1023522671 /nfs/dbraw/zinc/52/26/71/1023522671.db2.gz ZERWEOZBHVLXPN-YJYMSZOUSA-N 1 0 388.924 3.931 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@H]2C1 ZINC001141114282 1023531713 /nfs/dbraw/zinc/53/17/13/1023531713.db2.gz KQZBKJBLRJAKMP-NEPJUHHUSA-N 1 0 396.944 3.544 20 30 GHEDRO CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c1C ZINC001138139995 1024212091 /nfs/dbraw/zinc/21/20/91/1024212091.db2.gz VOUHTCZPBMCXTQ-UHFFFAOYSA-N 1 0 381.476 3.723 20 30 GHEDRO C[NH+](C)Cc1cccc(NC(=O)c2cccc(CNc3ncccc3C#N)c2)c1 ZINC001141262887 1024327940 /nfs/dbraw/zinc/32/79/40/1024327940.db2.gz HAVSNOJWIANVPC-UHFFFAOYSA-N 1 0 385.471 3.879 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC001138239636 1024442560 /nfs/dbraw/zinc/44/25/60/1024442560.db2.gz KMOIISZEUNNTSV-FQEVSTJZSA-N 1 0 392.883 3.679 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cc3c(cc1Cl)OCO3)CCO2 ZINC001138242284 1024449786 /nfs/dbraw/zinc/44/97/86/1024449786.db2.gz KKWGUVGMLKWRJS-OXJNMPFZSA-N 1 0 379.884 3.642 20 30 GHEDRO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC001138269465 1024511736 /nfs/dbraw/zinc/51/17/36/1024511736.db2.gz HLJCIUMEUHEBRB-IBGZPJMESA-N 1 0 387.524 3.774 20 30 GHEDRO COc1cc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000831439322 1024562764 /nfs/dbraw/zinc/56/27/64/1024562764.db2.gz PIXSZKKVBJMUTM-UHFFFAOYSA-N 1 0 389.499 3.695 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC001138343121 1024705727 /nfs/dbraw/zinc/70/57/27/1024705727.db2.gz HGAPGTGRMSYSKF-SFHVURJKSA-N 1 0 388.508 3.586 20 30 GHEDRO C#CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2CC)cc1OC ZINC001138345647 1024706147 /nfs/dbraw/zinc/70/61/47/1024706147.db2.gz LCYLPIRSWIQXEV-SFHVURJKSA-N 1 0 388.508 3.539 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1OC ZINC001138347773 1024710600 /nfs/dbraw/zinc/71/06/00/1024710600.db2.gz DXUNGJADOBXPEP-GOSISDBHSA-N 1 0 388.508 3.586 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)cc1OC ZINC001138349340 1024712466 /nfs/dbraw/zinc/71/24/66/1024712466.db2.gz VSYFRQYOTMXHCW-FUHWJXTLSA-N 1 0 388.508 3.585 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(N(CC)CC)cc1OC)C2 ZINC001138389557 1024766236 /nfs/dbraw/zinc/76/62/36/1024766236.db2.gz PWBJYRNKVADNOB-FYYLOGMGSA-N 1 0 388.552 3.868 20 30 GHEDRO CCO[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C[NH+](C)C ZINC000831776978 1024853062 /nfs/dbraw/zinc/85/30/62/1024853062.db2.gz OHICDYFNNYSOPA-LJQANCHMSA-N 1 0 397.544 3.547 20 30 GHEDRO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001138482200 1024911506 /nfs/dbraw/zinc/91/15/06/1024911506.db2.gz DXLLIDWEDYVZEV-JOCHJYFZSA-N 1 0 395.890 3.849 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C2 ZINC001138554115 1025011483 /nfs/dbraw/zinc/01/14/83/1025011483.db2.gz ZMLPLYYACPEPTA-PZJWPPBQSA-N 1 0 397.462 3.870 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000832021238 1025142018 /nfs/dbraw/zinc/14/20/18/1025142018.db2.gz UVKNVINSZNRKNT-QFIPXVFZSA-N 1 0 383.492 3.598 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832029982 1025150280 /nfs/dbraw/zinc/15/02/80/1025150280.db2.gz GCQMJCBDBKSSEF-HXUWFJFHSA-N 1 0 399.535 3.620 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001138647953 1025160202 /nfs/dbraw/zinc/16/02/02/1025160202.db2.gz LTWBKWBVVZLPAR-FGZHOGPDSA-N 1 0 385.483 3.585 20 30 GHEDRO N#Cc1cc(Cc2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)ccc1F ZINC001205125182 1033266226 /nfs/dbraw/zinc/26/62/26/1033266226.db2.gz VRGSMDIEGXAHPV-YRNVUSSQSA-N 1 0 375.407 3.800 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)cc1 ZINC000832085702 1025210075 /nfs/dbraw/zinc/21/00/75/1025210075.db2.gz VAMXWSBKWQYTLL-UHFFFAOYSA-N 1 0 393.487 3.621 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(Cl)cc(OC)c1OC)CC2 ZINC001138742425 1025281181 /nfs/dbraw/zinc/28/11/81/1025281181.db2.gz RMVOLPLKLUSMJJ-UHFFFAOYSA-N 1 0 394.899 3.578 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(OC)c1OC)CC2 ZINC001138745578 1025286348 /nfs/dbraw/zinc/28/63/48/1025286348.db2.gz TZVBHXFPXMRERG-OAQYLSRUSA-N 1 0 392.927 3.890 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccccc3N3CCC(O)CC3)CC2)cc1 ZINC001138762522 1025321299 /nfs/dbraw/zinc/32/12/99/1025321299.db2.gz YWTUZZZZULZCEZ-UHFFFAOYSA-N 1 0 389.543 3.974 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cnn(Cc3ccccc3)c1)C2 ZINC001138765862 1025331829 /nfs/dbraw/zinc/33/18/29/1025331829.db2.gz JEIAFJYXZMVSRN-DHIUTWEWSA-N 1 0 381.520 3.505 20 30 GHEDRO COc1cccc(C2(NC(F)(F)c3cc(Cl)ncc3C#N)CC[NH2+]CC2)c1 ZINC001161994556 1025526682 /nfs/dbraw/zinc/52/66/82/1025526682.db2.gz CAPNABVFFNEEHX-UHFFFAOYSA-N 1 0 392.837 3.533 20 30 GHEDRO Cc1ccnc(CNc2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001162191088 1025658532 /nfs/dbraw/zinc/65/85/32/1025658532.db2.gz MDTZPOCJWRAOCZ-UHFFFAOYSA-N 1 0 398.514 3.850 20 30 GHEDRO N#Cc1c(Cl)cc(Cl)nc1N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162197251 1025662783 /nfs/dbraw/zinc/66/27/83/1025662783.db2.gz CJGUPIXJFFQNEU-HDJSIYSDSA-N 1 0 376.291 3.932 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OC(=O)CC)cc3)C2)C1 ZINC001138961757 1025665087 /nfs/dbraw/zinc/66/50/87/1025665087.db2.gz HFBBNQQQTOHNBX-JOCHJYFZSA-N 1 0 386.492 3.613 20 30 GHEDRO C=CCN1CC[C@H]([NH+]2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)C1=O ZINC000839168869 1025677138 /nfs/dbraw/zinc/67/71/38/1025677138.db2.gz DKVHYMDZLFTXDT-FQEVSTJZSA-N 1 0 399.535 4.000 20 30 GHEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCC)c(OCC)c1)C2 ZINC001138974155 1025696379 /nfs/dbraw/zinc/69/63/79/1025696379.db2.gz LFIVKAVHBJDUGV-SIKLNZKXSA-N 1 0 375.509 3.810 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)/C=C\c2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000832604172 1025760415 /nfs/dbraw/zinc/76/04/15/1025760415.db2.gz VJPUYNNJDCKPGV-LKAWRWRFSA-N 1 0 389.499 3.923 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001139031811 1025800290 /nfs/dbraw/zinc/80/02/90/1025800290.db2.gz CDIHRKUXRUDDNO-OAQYLSRUSA-N 1 0 376.500 3.747 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001139031810 1025801383 /nfs/dbraw/zinc/80/13/83/1025801383.db2.gz CDIHRKUXRUDDNO-NRFANRHFSA-N 1 0 376.500 3.747 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2Cc3ccccc3C[C@H]2C[NH3+])cc1F ZINC001162743749 1025901422 /nfs/dbraw/zinc/90/14/22/1025901422.db2.gz BJHDCVFIHLTCBK-INIZCTEOSA-N 1 0 393.853 3.698 20 30 GHEDRO CCOC(=O)COc1ccccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001139134959 1025947964 /nfs/dbraw/zinc/94/79/64/1025947964.db2.gz QHOROHNCTYVIDH-UHFFFAOYSA-N 1 0 378.472 3.880 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001461048210 1069359875 /nfs/dbraw/zinc/35/98/75/1069359875.db2.gz OVJNEJRNHJLPFK-JKSUJKDBSA-N 1 0 379.342 3.814 20 30 GHEDRO CN(c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1)C1CC[NH+](C)CC1 ZINC000839556800 1026056502 /nfs/dbraw/zinc/05/65/02/1026056502.db2.gz RVHWZRBZFQWAFH-XZOQPEGZSA-N 1 0 388.515 3.831 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001163211309 1026088742 /nfs/dbraw/zinc/08/87/42/1026088742.db2.gz DFYQEDHSMZEEJQ-PNKILORKSA-N 1 0 384.549 3.786 20 30 GHEDRO N#Cc1ccc(Br)c(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141654689 1026090348 /nfs/dbraw/zinc/09/03/48/1026090348.db2.gz GUOVNKPPHYOYAM-KGLIPLIRSA-N 1 0 395.194 3.548 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c1 ZINC001141655500 1026100915 /nfs/dbraw/zinc/10/09/15/1026100915.db2.gz ATQRUCRVYZNAOY-UHFFFAOYSA-N 1 0 396.288 3.807 20 30 GHEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000839609524 1026110542 /nfs/dbraw/zinc/11/05/42/1026110542.db2.gz CGJOTBPTZPYAPF-FQEVSTJZSA-N 1 0 395.503 3.543 20 30 GHEDRO CCOC(=O)c1cc(C)nc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1C#N ZINC001163315728 1026140449 /nfs/dbraw/zinc/14/04/49/1026140449.db2.gz RBEKSJWQCGIOGN-KRWDZBQOSA-N 1 0 382.508 3.671 20 30 GHEDRO N#CC1(c2ccc(NC3CC[NH+](C[C@@H]4CC=CCC4)CC3)nc2)CCOCC1 ZINC001163320026 1026143146 /nfs/dbraw/zinc/14/31/46/1026143146.db2.gz NJFPPFHXUYLSBI-LJQANCHMSA-N 1 0 380.536 3.886 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000839644981 1026157375 /nfs/dbraw/zinc/15/73/75/1026157375.db2.gz RCIMEJCRTRMZTM-YADHBBJMSA-N 1 0 398.547 3.822 20 30 GHEDRO CC(C)N1CCC2(CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C1=O ZINC001141664250 1026182355 /nfs/dbraw/zinc/18/23/55/1026182355.db2.gz CWTZUOFWTLQZPQ-UHFFFAOYSA-N 1 0 390.325 3.544 20 30 GHEDRO CSc1nc(Cl)cc(C(F)(F)NC(C)=NCc2cccc(C[NH3+])c2)n1 ZINC001163466451 1026205044 /nfs/dbraw/zinc/20/50/44/1026205044.db2.gz PUXOMXBCDKQUNT-UHFFFAOYSA-N 1 0 385.871 3.568 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001163466576 1026205437 /nfs/dbraw/zinc/20/54/37/1026205437.db2.gz SQICEMGQXFWOOU-UHFFFAOYSA-N 1 0 384.827 3.681 20 30 GHEDRO CCOC(=O)c1cc2ccccc2nc1NC(C)=NCc1cccc(C[NH3+])c1 ZINC001163472056 1026206971 /nfs/dbraw/zinc/20/69/71/1026206971.db2.gz RMAGHBFURWTCIR-UHFFFAOYSA-N 1 0 376.460 3.901 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)NC(F)(F)c1cc(C2CC2)nnc1Cl ZINC001163473921 1026207144 /nfs/dbraw/zinc/20/71/44/1026207144.db2.gz XPVQOIYDXBJANA-UHFFFAOYSA-N 1 0 379.842 3.724 20 30 GHEDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)CC2 ZINC001139407284 1026280394 /nfs/dbraw/zinc/28/03/94/1026280394.db2.gz VZXZAKNDBZAMGQ-UHFFFAOYSA-N 1 0 383.451 3.965 20 30 GHEDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139425749 1026297135 /nfs/dbraw/zinc/29/71/35/1026297135.db2.gz VTNWZCJPRQSNES-SFHVURJKSA-N 1 0 379.460 3.909 20 30 GHEDRO N#CCC(=O)Nc1nc2ccccc2nc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163898287 1026353544 /nfs/dbraw/zinc/35/35/44/1026353544.db2.gz URVRSRFPBZRSRM-UHFFFAOYSA-N 1 0 390.834 3.538 20 30 GHEDRO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2ccc(C#N)c(F)c2)CC3)cs1 ZINC001139527351 1026385510 /nfs/dbraw/zinc/38/55/10/1026385510.db2.gz AIOXVNNZRDTJKT-UHFFFAOYSA-N 1 0 398.507 3.620 20 30 GHEDRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528469 1026386422 /nfs/dbraw/zinc/38/64/22/1026386422.db2.gz ULGDUKJQZNMDSL-UHFFFAOYSA-N 1 0 382.483 3.933 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cc(C#N)ccc3F)CC2)c2ccccc21 ZINC001139649330 1026510541 /nfs/dbraw/zinc/51/05/41/1026510541.db2.gz ZAUCJZUQASAERC-SFHVURJKSA-N 1 0 391.490 3.855 20 30 GHEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001139649023 1026510861 /nfs/dbraw/zinc/51/08/61/1026510861.db2.gz KBXYCAJAKSNVQP-QHCPKHFHSA-N 1 0 397.469 3.955 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC(C[NH3+])(c4ccccc4)CC3)nn2)cc1 ZINC001164435823 1026512716 /nfs/dbraw/zinc/51/27/16/1026512716.db2.gz PTVRGGWWKWSMQJ-QFIPXVFZSA-N 1 0 397.526 3.937 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(C)nc4cc(C)ccn43)CC2)C1 ZINC001139674624 1026528624 /nfs/dbraw/zinc/52/86/24/1026528624.db2.gz YMMZBFVJTKXRDM-UHFFFAOYSA-N 1 0 396.535 3.952 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cccc(Cl)c2C#N)CC3)cn1 ZINC001139689930 1026542055 /nfs/dbraw/zinc/54/20/55/1026542055.db2.gz YHQOVAHGBLNIDS-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4c[nH]c5c4cccc5C#N)CC[N@@H+]3C2)cc1 ZINC001139705612 1026550678 /nfs/dbraw/zinc/55/06/78/1026550678.db2.gz VLXRNRGXELUSKK-UNMCSNQZSA-N 1 0 386.499 3.686 20 30 GHEDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4c[nH]c5c4cccc5C#N)CC[N@@H+]3C2)cc1 ZINC001139705566 1026550766 /nfs/dbraw/zinc/55/07/66/1026550766.db2.gz VLXRNRGXELUSKK-IFMALSPDSA-N 1 0 386.499 3.686 20 30 GHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CCC[N@H+]1C ZINC001164611331 1026567431 /nfs/dbraw/zinc/56/74/31/1026567431.db2.gz OAXYEWDHGWYKGT-OAHLLOKOSA-N 1 0 378.929 3.883 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C)c(C#N)c3)O2)cs1 ZINC001139725339 1026568721 /nfs/dbraw/zinc/56/87/21/1026568721.db2.gz LUYSWALXHHTJJO-YPAWHYETSA-N 1 0 397.544 3.970 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cnc4cccnc4c3)C[C@@H]2c2ccccc2)C1=O ZINC001139739478 1026580713 /nfs/dbraw/zinc/58/07/13/1026580713.db2.gz RWWWIQRTAAJULB-BWKNWUBXSA-N 1 0 398.510 3.634 20 30 GHEDRO N#Cc1ccc(CC2CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)cc1 ZINC001165081196 1026592141 /nfs/dbraw/zinc/59/21/41/1026592141.db2.gz ZISGPRQPPWQHKT-UHFFFAOYSA-N 1 0 390.531 3.887 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001165195477 1026656774 /nfs/dbraw/zinc/65/67/74/1026656774.db2.gz WXPZVXBXZRKJDU-CQSZACIVSA-N 1 0 383.229 3.956 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccncc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001139844217 1026662570 /nfs/dbraw/zinc/66/25/70/1026662570.db2.gz IOTWYLJFJGQHND-KNQAVFIVSA-N 1 0 381.907 3.739 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c1 ZINC001139876649 1026691328 /nfs/dbraw/zinc/69/13/28/1026691328.db2.gz HUCCTFPVZYCRAW-XMMPIXPASA-N 1 0 391.490 3.755 20 30 GHEDRO N#Cc1cc(F)cc(CN2CC(c3[nH+]cn4cc(Br)ccc34)C2)c1 ZINC001139876324 1026692059 /nfs/dbraw/zinc/69/20/59/1026692059.db2.gz RUONAFTZMDDGSX-UHFFFAOYSA-N 1 0 385.240 3.707 20 30 GHEDRO N#Cc1cc(F)cc(C[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)c1 ZINC001139875108 1026692104 /nfs/dbraw/zinc/69/21/04/1026692104.db2.gz GMZHOVLAJDKPPO-NHCUHLMSSA-N 1 0 379.435 3.683 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC001139877511 1026694395 /nfs/dbraw/zinc/69/43/95/1026694395.db2.gz MHJAHSBFDHRZKK-RBBKRZOGSA-N 1 0 381.451 3.542 20 30 GHEDRO C[Si](C)(C)C#Cc1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001165307956 1026700014 /nfs/dbraw/zinc/70/00/14/1026700014.db2.gz UCBWLEBQBYWRNZ-MRXNPFEDSA-N 1 0 381.518 3.964 20 30 GHEDRO CC(C)(C)N(c1c(C#N)cnc2cnc(Cl)cc21)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670848 1026791564 /nfs/dbraw/zinc/79/15/64/1026791564.db2.gz BRBVEQFLHOFIGS-HNNXBMFYSA-N 1 0 399.926 3.671 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1=O ZINC001140094636 1026872282 /nfs/dbraw/zinc/87/22/82/1026872282.db2.gz KPLALZFLRDOARM-OAQYLSRUSA-N 1 0 385.508 3.950 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]21 ZINC001140109983 1026892107 /nfs/dbraw/zinc/89/21/07/1026892107.db2.gz CUCJEZYBMDYEMI-UZLBHIALSA-N 1 0 380.492 3.871 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(C#N)cc34)CC[C@@H]2C1 ZINC001140110682 1026892288 /nfs/dbraw/zinc/89/22/88/1026892288.db2.gz QHNNMIGCIFFFNV-AEFFLSMTSA-N 1 0 380.492 3.728 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]21 ZINC001140117488 1026898347 /nfs/dbraw/zinc/89/83/47/1026898347.db2.gz SGPNJWFNDCNFQP-ZAAXVRCTSA-N 1 0 380.492 3.775 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc4cnccc43)CC2)cc1 ZINC001140145785 1026919932 /nfs/dbraw/zinc/91/99/32/1026919932.db2.gz UBIFTYZVVYRWOL-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO N#Cc1cc(F)cnc1N1CC2(CC[NH2+]CC2)c2c1cccc2-c1cccnc1 ZINC001166126800 1026924565 /nfs/dbraw/zinc/92/45/65/1026924565.db2.gz BJRTXDGFRINSTL-UHFFFAOYSA-N 1 0 385.446 3.927 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3ccncc3)cc1)CC2 ZINC001140167354 1026940970 /nfs/dbraw/zinc/94/09/70/1026940970.db2.gz BMSZADWBVCMTJY-UHFFFAOYSA-N 1 0 377.488 3.969 20 30 GHEDRO C[NH+]1CCN(c2ccc(Nc3cc(C(F)(F)F)ccc3O)cc2C#N)CC1 ZINC001209981890 1027301942 /nfs/dbraw/zinc/30/19/42/1027301942.db2.gz IWLONMHXQPCPAR-UHFFFAOYSA-N 1 0 376.382 3.778 20 30 GHEDRO C#CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC001203541246 1027418517 /nfs/dbraw/zinc/41/85/17/1027418517.db2.gz VBWPSKQLVGOSAZ-NRFANRHFSA-N 1 0 395.503 3.910 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c(C)c1C ZINC001203720307 1027553434 /nfs/dbraw/zinc/55/34/34/1027553434.db2.gz SMPOGEURIVKUGA-DEOSSOPVSA-N 1 0 389.499 3.813 20 30 GHEDRO COc1cc(C)c(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc1C ZINC001203755459 1027578544 /nfs/dbraw/zinc/57/85/44/1027578544.db2.gz PZNRTGYGWQFSTP-UHFFFAOYSA-N 1 0 392.503 3.970 20 30 GHEDRO C[C@H]1CC(=O)C=C(Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)C1 ZINC001210775978 1027648040 /nfs/dbraw/zinc/64/80/40/1027648040.db2.gz QTDVOFRBKVTOBG-CQSZACIVSA-N 1 0 381.442 3.748 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc(OC)c1OC ZINC001203846900 1027652941 /nfs/dbraw/zinc/65/29/41/1027652941.db2.gz PLGRZFYDXARVBS-GOSISDBHSA-N 1 0 382.460 3.627 20 30 GHEDRO CSc1nc(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC001141932124 1027691471 /nfs/dbraw/zinc/69/14/71/1027691471.db2.gz TWGAGDYOJQUTNM-CTNGQTDRSA-N 1 0 378.545 3.772 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc1 ZINC001203901326 1027694385 /nfs/dbraw/zinc/69/43/85/1027694385.db2.gz LRRPFNIKWHVKTF-UHFFFAOYSA-N 1 0 377.463 3.855 20 30 GHEDRO CSc1nc(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)ccc1C#N ZINC001141941669 1027716594 /nfs/dbraw/zinc/71/65/94/1027716594.db2.gz SHCFSXVTFHLDMP-UHFFFAOYSA-N 1 0 377.517 3.941 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C1CCCCC1 ZINC001211270286 1027877269 /nfs/dbraw/zinc/87/72/69/1027877269.db2.gz VYKBXHHPYUMOJR-ZWKOTPCHSA-N 1 0 396.457 3.971 20 30 GHEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cccc(C(=O)Cn3ccnc3C)c2)no1 ZINC001211436153 1027957525 /nfs/dbraw/zinc/95/75/25/1027957525.db2.gz CRYKVNDHUMYRGO-UHFFFAOYSA-N 1 0 391.475 3.624 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000841085402 1028108454 /nfs/dbraw/zinc/10/84/54/1028108454.db2.gz BDFCCDFCLYXSCG-YVEFUNNKSA-N 1 0 390.365 3.731 20 30 GHEDRO CC(C)c1ccc(N2Cc3ccc(NC(=O)N[C@@H]4C[NH2+]C[C@@H]4C#N)cc3C2)cc1 ZINC000841171068 1028242229 /nfs/dbraw/zinc/24/22/29/1028242229.db2.gz ORHSSFLQKZSMBQ-SIKLNZKXSA-N 1 0 389.503 3.563 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1-c1ccc(Br)cc1 ZINC000841203880 1028275804 /nfs/dbraw/zinc/27/58/04/1028275804.db2.gz VGKIDEIMVARUGE-KBXCAEBGSA-N 1 0 399.292 3.658 20 30 GHEDRO COc1nc2ccccc2cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001461432893 1069547198 /nfs/dbraw/zinc/54/71/98/1069547198.db2.gz UBQLWCDIIOYWKQ-UHFFFAOYSA-N 1 0 383.455 3.805 20 30 GHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC001461517624 1069587597 /nfs/dbraw/zinc/58/75/97/1069587597.db2.gz UBPLHYSOQTZHOJ-PVAVHDDUSA-N 1 0 382.342 3.943 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc(OC)c1O ZINC000842743854 1029553521 /nfs/dbraw/zinc/55/35/21/1029553521.db2.gz LYGKPRJKNCSKJX-HNNXBMFYSA-N 1 0 381.476 3.510 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)c[nH]c2c1 ZINC001142929845 1029711713 /nfs/dbraw/zinc/71/17/13/1029711713.db2.gz GHDIATREEAPNBF-UHFFFAOYSA-N 1 0 394.482 3.819 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)[C@H]1c1ccccc1 ZINC001143170984 1029880781 /nfs/dbraw/zinc/88/07/81/1029880781.db2.gz NPIRMTFCUMQLOC-HXUWFJFHSA-N 1 0 381.426 3.632 20 30 GHEDRO CCC(CC)(CNC(=O)NCc1nc(C#N)cs1)[NH2+][C@H](C)c1ccccc1 ZINC001221976450 1029914637 /nfs/dbraw/zinc/91/46/37/1029914637.db2.gz UYWFTIOQRWOOHC-OAHLLOKOSA-N 1 0 385.537 3.724 20 30 GHEDRO CCC(CC)(CNC(=O)NCc1nc(C#N)cs1)[NH2+][C@@H](C)c1ccccc1 ZINC001221976449 1029914702 /nfs/dbraw/zinc/91/47/02/1029914702.db2.gz UYWFTIOQRWOOHC-HNNXBMFYSA-N 1 0 385.537 3.724 20 30 GHEDRO N#Cc1c(Cl)c(F)cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1Cl ZINC001216743282 1029915071 /nfs/dbraw/zinc/91/50/71/1029915071.db2.gz PUNCGAKOWNXUAC-UHFFFAOYSA-N 1 0 390.205 3.762 20 30 GHEDRO CCCc1c(NC(=O)NCC2([NH2+]C)CCCCC2)cnn1-c1cccc(C#N)c1 ZINC001216752917 1029919288 /nfs/dbraw/zinc/91/92/88/1029919288.db2.gz HIMXAJSNXSDKOR-UHFFFAOYSA-N 1 0 394.523 3.740 20 30 GHEDRO N#Cc1ccc(CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC001222009264 1029928775 /nfs/dbraw/zinc/92/87/75/1029928775.db2.gz FFHMTGBYDUVIBT-QFIPXVFZSA-N 1 0 376.504 3.627 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(F)cc(OC(F)(F)F)c1)CC2 ZINC001143258645 1029953956 /nfs/dbraw/zinc/95/39/56/1029953956.db2.gz XNZZFNJWVVQYGX-UHFFFAOYSA-N 1 0 386.389 3.867 20 30 GHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000843420506 1029995195 /nfs/dbraw/zinc/99/51/95/1029995195.db2.gz FWFSJXJBGIPKAU-XMMPIXPASA-N 1 0 386.499 3.730 20 30 GHEDRO CC(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C(=O)OC(C)(C)C ZINC001461608690 1069639053 /nfs/dbraw/zinc/63/90/53/1069639053.db2.gz BFRUPTXLHLASGS-LJQANCHMSA-N 1 0 397.523 3.562 20 30 GHEDRO N#Cc1ccc(CN2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1Br ZINC001222608922 1030233258 /nfs/dbraw/zinc/23/32/58/1030233258.db2.gz JAXJZBNIXSFPPU-SFHVURJKSA-N 1 0 382.305 3.510 20 30 GHEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4c[nH]c5cc(C#N)ccc45)n3)cc2)CC1 ZINC001217387192 1030356584 /nfs/dbraw/zinc/35/65/84/1030356584.db2.gz OHNHQGBNZYVLLM-UHFFFAOYSA-N 1 0 384.443 3.508 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCN(CCC)C2)cc1OC ZINC001461653349 1069660722 /nfs/dbraw/zinc/66/07/22/1069660722.db2.gz PIXVAFUYUFPARX-HNNXBMFYSA-N 1 0 383.330 3.596 20 30 GHEDRO CCC(CC)[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)[NH+]1CCCC1 ZINC001223086565 1030431232 /nfs/dbraw/zinc/43/12/32/1030431232.db2.gz DDNDEOGCYHKZTM-JOCHJYFZSA-N 1 0 382.552 3.721 20 30 GHEDRO C=CCCSCCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001223345492 1030530673 /nfs/dbraw/zinc/53/06/73/1030530673.db2.gz VHLGBUCLXZHXLU-QZTJIDSGSA-N 1 0 375.582 3.752 20 30 GHEDRO C[N@@H+]1CCCn2nc(-c3nc(-c4ccc(-c5ccc(C#N)cc5)cc4)no3)cc2C1 ZINC001217688548 1030610416 /nfs/dbraw/zinc/61/04/16/1030610416.db2.gz MNQWGNBBTDYTHR-UHFFFAOYSA-N 1 0 396.454 3.974 20 30 GHEDRO COc1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001217946048 1030679418 /nfs/dbraw/zinc/67/94/18/1030679418.db2.gz AVBZKYRPUAYOLG-CIZRVWCESA-N 1 0 385.435 3.766 20 30 GHEDRO COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC001217969277 1030695433 /nfs/dbraw/zinc/69/54/33/1030695433.db2.gz YVZKVUPLNIQEGI-OAKMAHBBSA-N 1 0 397.471 3.595 20 30 GHEDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O ZINC001218033619 1030735039 /nfs/dbraw/zinc/73/50/39/1030735039.db2.gz FSLHKXRZKVLDIR-CRSFEPEASA-N 1 0 395.455 3.523 20 30 GHEDRO O=C(/C=C/c1ccc(O[C@H]2C[NH2+]CCOC2)cc1)CCCCc1ccc(O)cc1 ZINC001218047495 1030741424 /nfs/dbraw/zinc/74/14/24/1030741424.db2.gz RASBUDPBJKGDRR-REXAPNPKSA-N 1 0 395.499 3.755 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001218052585 1030743783 /nfs/dbraw/zinc/74/37/83/1030743783.db2.gz LGPFPOMLLVQGLW-APWZRJJASA-N 1 0 379.456 3.918 20 30 GHEDRO COC(=O)CCc1cc(C(C)(C)C)c(O[C@H]2C[NH2+]C[C@H]2C#N)c(C(C)(C)C)c1 ZINC001218199225 1030824247 /nfs/dbraw/zinc/82/42/47/1030824247.db2.gz BULIZFIHYJXMDV-APWZRJJASA-N 1 0 386.536 3.878 20 30 GHEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)c2cc(Br)ccc2n1 ZINC001218201926 1030824678 /nfs/dbraw/zinc/82/46/78/1030824678.db2.gz WEXOANNZJXMKHS-SDBXPKJASA-N 1 0 386.171 3.506 20 30 GHEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 ZINC001218201153 1030825717 /nfs/dbraw/zinc/82/57/17/1030825717.db2.gz PKARGAKBGYXVIV-AMIZOPFISA-N 1 0 375.272 3.763 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(Cl)cc(I)cc1Cl ZINC001218208206 1030830296 /nfs/dbraw/zinc/83/02/96/1030830296.db2.gz YEDKHCXDURZEJU-NSHDSACASA-N 1 0 384.044 3.895 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1ncnc2cc(OC)c(OCc3ccccc3)cc21 ZINC001218207805 1030831610 /nfs/dbraw/zinc/83/16/10/1030831610.db2.gz KYAQVSMVLWCCQY-OAQYLSRUSA-N 1 0 377.444 3.514 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)cc2oc(-c3ccc(OC)cc3)cc(=O)c12 ZINC001218208967 1030831944 /nfs/dbraw/zinc/83/19/44/1030831944.db2.gz RXFDLBPBCCBTOF-JOCHJYFZSA-N 1 0 393.439 3.774 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(=O)c2cc(CC)ccc2oc1-c1ccc(O)c(O)c1 ZINC001218211433 1030833397 /nfs/dbraw/zinc/83/33/97/1030833397.db2.gz ZHIRJADBEIBWTR-HXUWFJFHSA-N 1 0 393.439 3.731 20 30 GHEDRO C=C[C@H](CCCCC)Oc1nc2ccc(C(=O)CCN3CC[NH2+]CC3)cc2o1 ZINC001218212184 1030833718 /nfs/dbraw/zinc/83/37/18/1030833718.db2.gz KQLBXOHTDJVAEH-GOSISDBHSA-N 1 0 385.508 3.820 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](O/C(=N/c3ccccc3)c3ccccc3)C[C@H]1[N@@H+]2C ZINC001224091070 1030878343 /nfs/dbraw/zinc/87/83/43/1030878343.db2.gz OSPXVOJIOBHROH-VZRAEDJSSA-N 1 0 378.472 3.948 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[NH2+]CC2(C)C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218314437 1030887229 /nfs/dbraw/zinc/88/72/29/1030887229.db2.gz AHBAYAQXZGWTFA-JLXBBBJOSA-N 1 0 397.471 3.769 20 30 GHEDRO COC(=O)c1cc(C#N)ccc1CO[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001224167948 1030908452 /nfs/dbraw/zinc/90/84/52/1030908452.db2.gz DBKJIZMMJVJQKL-WWPVKYPJSA-N 1 0 390.483 3.772 20 30 GHEDRO COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O[C@H]1CC[C@H](C)[NH2+]C1 ZINC001218401903 1030921239 /nfs/dbraw/zinc/92/12/39/1030921239.db2.gz SHDWBOREAHVUKK-JPISGYTDSA-N 1 0 383.444 3.522 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3C[NH2+]CCC34CC4)c(C#N)c2)nc1C ZINC001218405365 1030923129 /nfs/dbraw/zinc/92/31/29/1030923129.db2.gz QKQPJHFCDKNXGJ-KRWDZBQOSA-N 1 0 397.500 3.688 20 30 GHEDRO C#C[C@H](COc1cccc(Cl)c1)Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218439093 1030936950 /nfs/dbraw/zinc/93/69/50/1030936950.db2.gz QRSYRYKWRVYTKL-HXUWFJFHSA-N 1 0 384.907 3.723 20 30 GHEDRO C=CC[C@@H](Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])[nH]c1=O)c1ccc(Cl)cc1 ZINC001218443200 1030938927 /nfs/dbraw/zinc/93/89/27/1030938927.db2.gz RVYNOJINLIRPCW-CYBMUJFWSA-N 1 0 391.855 3.512 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Br)cc2c(c1[N+](=O)[O-])CCC2 ZINC001218456857 1030944706 /nfs/dbraw/zinc/94/47/06/1030944706.db2.gz YRPIOBGFJMINKF-HUUCEWRRSA-N 1 0 381.270 3.922 20 30 GHEDRO Cc1cc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218476351 1030953077 /nfs/dbraw/zinc/95/30/77/1030953077.db2.gz XUQAUKQJFVVUEX-DLEKHHEWSA-N 1 0 379.456 3.882 20 30 GHEDRO N#Cc1cc2cccnc2nc1NC(=O)C[C@H]([NH3+])Cc1cccc2ccccc21 ZINC001218544021 1030980521 /nfs/dbraw/zinc/98/05/21/1030980521.db2.gz BHIGLAQSYITYEE-LJQANCHMSA-N 1 0 381.439 3.553 20 30 GHEDRO N#Cc1ncc(NC(=O)C[C@H]([NH3+])Cc2ccccc2Cl)cc1C(F)(F)F ZINC001218658393 1031021029 /nfs/dbraw/zinc/02/10/29/1031021029.db2.gz BUXGNWJIYWFIHN-LLVKDONJSA-N 1 0 382.773 3.524 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1ccn2cc(-c3ccccc3)nc2c1 ZINC001218753179 1031066432 /nfs/dbraw/zinc/06/64/32/1031066432.db2.gz JZMVSODFGXFAII-FQEVSTJZSA-N 1 0 395.466 3.772 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001218755616 1031067558 /nfs/dbraw/zinc/06/75/58/1031067558.db2.gz PWDUUZYYRCZJBB-FQEVSTJZSA-N 1 0 399.498 3.910 20 30 GHEDRO C=C1C[NH2+][C@](C)(C(=O)Nc2cc(-c3ccc(OC)cc3)nn2-c2ccccc2)C1 ZINC001218769370 1031074764 /nfs/dbraw/zinc/07/47/64/1031074764.db2.gz NADDOVCDKQGUIU-QHCPKHFHSA-N 1 0 388.471 3.795 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3csc(-c4cccc(Cl)c4)n3)C2)C1=O ZINC001276992373 1031086560 /nfs/dbraw/zinc/08/65/60/1031086560.db2.gz PJYHVMAQXHLQGJ-FQEVSTJZSA-N 1 0 385.920 3.521 20 30 GHEDRO O=C(Nc1cccc(OC(F)(F)C(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001218815656 1031093179 /nfs/dbraw/zinc/09/31/79/1031093179.db2.gz DIZWYYLKKVQOGF-KCJUWKMLSA-N 1 0 388.283 3.792 20 30 GHEDRO CCOP(=O)(CCCO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)OCC ZINC001224763019 1031106499 /nfs/dbraw/zinc/10/64/99/1031106499.db2.gz NWYQJBGFVZBPIY-LJQANCHMSA-N 1 0 380.425 3.805 20 30 GHEDRO N#Cc1cccc(-c2cc(O)cc(C(=O)Nc3ccc4c(c3)CC[NH2+]CC4)c2)c1 ZINC001218939917 1031164649 /nfs/dbraw/zinc/16/46/49/1031164649.db2.gz ZHXVFXUBYBEGLM-UHFFFAOYSA-N 1 0 383.451 3.871 20 30 GHEDRO COC(=O)c1cccc(-c2cccc(NC(=O)[C@@H]([NH3+])Cc3cccc(C#N)c3)c2)c1 ZINC001219332312 1031363328 /nfs/dbraw/zinc/36/33/28/1031363328.db2.gz BPQAXQXGGMMAPY-QFIPXVFZSA-N 1 0 399.450 3.520 20 30 GHEDRO CC(CNC(=O)[C@@H]([NH3+])Cc1cccc(C#N)c1)(c1ccccc1)c1ccccc1 ZINC001219992074 1031733394 /nfs/dbraw/zinc/73/33/94/1031733394.db2.gz ZORHOCAOUYTFIY-QHCPKHFHSA-N 1 0 383.495 3.550 20 30 GHEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001220289964 1031882250 /nfs/dbraw/zinc/88/22/50/1031882250.db2.gz PMPYOCTVLAYTFK-GOSISDBHSA-N 1 0 382.508 3.543 20 30 GHEDRO C#Cc1ccc(CNC(=O)C[C@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)cc1 ZINC001220382211 1031920106 /nfs/dbraw/zinc/92/01/06/1031920106.db2.gz SQCURMHEOQCWKG-IBGZPJMESA-N 1 0 376.475 3.622 20 30 GHEDRO C#Cc1ccc(CNC(=O)C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)cc1 ZINC001220382502 1031920274 /nfs/dbraw/zinc/92/02/74/1031920274.db2.gz YHSCTCOWGBCRJL-UHFFFAOYSA-N 1 0 386.417 3.624 20 30 GHEDRO COc1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c(F)cc1C#N ZINC001461825740 1069774532 /nfs/dbraw/zinc/77/45/32/1069774532.db2.gz IDVFHBKPAUNHJF-UHFFFAOYSA-N 1 0 381.451 3.947 20 30 GHEDRO N#Cc1ccccc1CN1CC[C@H](Oc2nc(Cl)nc3cc(F)ccc32)C1 ZINC001226369793 1031933630 /nfs/dbraw/zinc/93/36/30/1031933630.db2.gz OMISDGIEOXKJPM-INIZCTEOSA-N 1 0 382.826 3.947 20 30 GHEDRO CC(C)[C@H](NC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1)c1ccc(F)cc1 ZINC001220437505 1031940462 /nfs/dbraw/zinc/94/04/62/1031940462.db2.gz FELUMNZYNXGDIP-XGRCMKMKSA-N 1 0 379.479 3.731 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001220664024 1032051857 /nfs/dbraw/zinc/05/18/57/1032051857.db2.gz UNKJPRWGKZNFHR-OXQOHEQNSA-N 1 0 375.472 3.547 20 30 GHEDRO CCO[C@H](CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C[NH+](C)C ZINC001205359258 1033375926 /nfs/dbraw/zinc/37/59/26/1033375926.db2.gz KBUITQCQSMVCOB-GOSISDBHSA-N 1 0 398.532 3.798 20 30 GHEDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2nc(Cl)c(F)cc2C#N)CC1 ZINC001157058894 1033392570 /nfs/dbraw/zinc/39/25/70/1033392570.db2.gz AOSWVNIUYCUSEE-UHFFFAOYSA-N 1 0 376.838 3.986 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)ccc1F ZINC001205466928 1033425518 /nfs/dbraw/zinc/42/55/18/1033425518.db2.gz CDLZBWIUZCHLAR-UHFFFAOYSA-N 1 0 376.410 3.894 20 30 GHEDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)c2cccc3c(C#N)c[nH]c32)CC1 ZINC001157168254 1033445189 /nfs/dbraw/zinc/44/51/89/1033445189.db2.gz VMDJRGJDCIBKOH-UHFFFAOYSA-N 1 0 390.462 3.915 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2cccc(N3CC[NH2+]CC3)c2)n1 ZINC001205895085 1033624389 /nfs/dbraw/zinc/62/43/89/1033624389.db2.gz TVMMJKHCUHYBIC-UHFFFAOYSA-N 1 0 378.520 3.871 20 30 GHEDRO [NH3+]C1CCN(c2ccnc(NC3=C(c4ccccc4)C(=O)c4ccccc43)n2)CC1 ZINC001157620701 1033696184 /nfs/dbraw/zinc/69/61/84/1033696184.db2.gz QQINHOWWBVXJTE-UHFFFAOYSA-N 1 0 397.482 3.581 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(C(C)=O)ccc2Br)no1 ZINC001206094651 1033716239 /nfs/dbraw/zinc/71/62/39/1033716239.db2.gz SMCRKGGBHYWNIR-UHFFFAOYSA-N 1 0 376.254 3.811 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(I)c(C)c2)no1 ZINC001206094660 1033716636 /nfs/dbraw/zinc/71/66/36/1033716636.db2.gz SUJRZHLJXMOAKF-UHFFFAOYSA-N 1 0 395.244 3.759 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc3c(c2)nc(C(F)(F)F)n3C)no1 ZINC001206100878 1033720869 /nfs/dbraw/zinc/72/08/69/1033720869.db2.gz XHHKHLCTXGVEGK-UHFFFAOYSA-N 1 0 377.370 3.751 20 30 GHEDRO N#Cc1c(NCc2cc(Cl)c3cccnc3c2O)ncc2c1CCC[NH2+]C2 ZINC001157724683 1033740183 /nfs/dbraw/zinc/74/01/83/1033740183.db2.gz SKEUQXZFPNBLIP-UHFFFAOYSA-N 1 0 379.851 3.508 20 30 GHEDRO N#Cc1ccc2c(c1)CCN(C(=O)C[C@H]([NH3+])C(c1ccccc1)c1ccccc1)C2 ZINC001157937040 1033827314 /nfs/dbraw/zinc/82/73/14/1033827314.db2.gz NZINGWDBUXGJBX-DEOSSOPVSA-N 1 0 395.506 3.992 20 30 GHEDRO N#Cc1c(Cl)c(F)cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1Cl ZINC001157973704 1033846385 /nfs/dbraw/zinc/84/63/85/1033846385.db2.gz SSLSNVGOCHKUKQ-OAHLLOKOSA-N 1 0 378.234 3.791 20 30 GHEDRO COc1ccc(CN(c2ncc(CC#N)cc2Cl)C2CC[NH2+]CC2)cc1F ZINC001158011287 1033867309 /nfs/dbraw/zinc/86/73/09/1033867309.db2.gz ZGNMEBMDUKIDQG-UHFFFAOYSA-N 1 0 388.874 3.707 20 30 GHEDRO N#Cc1cnc(Cl)nc1N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001158088841 1033909524 /nfs/dbraw/zinc/90/95/24/1033909524.db2.gz QNSLSSTXQJFONF-UHFFFAOYSA-N 1 0 395.816 3.779 20 30 GHEDRO Cc1cc(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)nc(C#N)n1 ZINC001158417253 1034070007 /nfs/dbraw/zinc/07/00/07/1034070007.db2.gz BPBBPXUQTCRALG-UHFFFAOYSA-N 1 0 395.510 3.958 20 30 GHEDRO C#CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1ccccc1 ZINC001230565910 1034124207 /nfs/dbraw/zinc/12/42/07/1034124207.db2.gz NCLVONNFPKNPEH-REWPJTCUSA-N 1 0 375.516 3.915 20 30 GHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C ZINC001207339725 1034287753 /nfs/dbraw/zinc/28/77/53/1034287753.db2.gz RWZYOOJAVSNYJL-QGZVFWFLSA-N 1 0 379.464 3.660 20 30 GHEDRO N#CC1(c2ccccc2F)CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1 ZINC001158888258 1034320815 /nfs/dbraw/zinc/32/08/15/1034320815.db2.gz RZPMXHFAYXENMP-UHFFFAOYSA-N 1 0 399.901 3.798 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001207377363 1034321638 /nfs/dbraw/zinc/32/16/38/1034321638.db2.gz IJVZFZKWHUMSKQ-ICSRJNTNSA-N 1 0 385.508 3.801 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN(c2ccc([C@@H]3CCCC[N@H+]3CCC)cn2)C1 ZINC001158914090 1034334560 /nfs/dbraw/zinc/33/45/60/1034334560.db2.gz AZXQVYQCGXKENV-PMACEKPBSA-N 1 0 386.540 3.900 20 30 GHEDRO COc1cccc(CCC[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001207564347 1034451815 /nfs/dbraw/zinc/45/18/15/1034451815.db2.gz HUUXNLAWJFYNJE-DEOSSOPVSA-N 1 0 389.499 3.628 20 30 GHEDRO C=CCOC[C@@H]1C[N@@H+](CCCc2cccc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001207602599 1034481705 /nfs/dbraw/zinc/48/17/05/1034481705.db2.gz SUIZVHKHHUKUFQ-IBGZPJMESA-N 1 0 384.499 3.562 20 30 GHEDRO N#Cc1cnn(-c2ccc(Cl)cc2)c1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159268475 1034513199 /nfs/dbraw/zinc/51/31/99/1034513199.db2.gz OAHDMWBPKNCDMU-UHFFFAOYSA-N 1 0 392.894 3.546 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cccc(Br)c3C)C2)C1=O ZINC001277509355 1034537747 /nfs/dbraw/zinc/53/77/47/1034537747.db2.gz FEHLAOSJWHPQQN-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO Cc1nc2ccc(Br)cn2c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159371256 1034569119 /nfs/dbraw/zinc/56/91/19/1034569119.db2.gz FTHCYRYVHOOEMB-UHFFFAOYSA-N 1 0 382.265 3.707 20 30 GHEDRO CCc1c(C)nc2sc(C#N)c(Nc3ccc(N4CC[NH2+]CC4)nc3)c2c1C ZINC001159399387 1034581729 /nfs/dbraw/zinc/58/17/29/1034581729.db2.gz BCQMHJUUYQSBOT-UHFFFAOYSA-N 1 0 392.532 3.895 20 30 GHEDRO N#Cc1cc(Cl)cc(Cl)c1Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001159515934 1034631711 /nfs/dbraw/zinc/63/17/11/1034631711.db2.gz MHGDWRMBBWBPHL-UHFFFAOYSA-N 1 0 375.259 3.654 20 30 GHEDRO CC(C)(C)OC(=O)c1cccc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001159742444 1034731042 /nfs/dbraw/zinc/73/10/42/1034731042.db2.gz BCEQMXXCETWXIB-UHFFFAOYSA-N 1 0 378.476 3.667 20 30 GHEDRO N#Cc1c(F)c(Br)ccc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159790176 1034742456 /nfs/dbraw/zinc/74/24/56/1034742456.db2.gz SNCDYGCDYJPFKJ-UHFFFAOYSA-N 1 0 389.272 3.609 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCc3c(F)cccc3F)CC2)cc1 ZINC001208117588 1034744412 /nfs/dbraw/zinc/74/44/12/1034744412.db2.gz CJOGOUKYOPDNHD-UHFFFAOYSA-N 1 0 384.430 3.665 20 30 GHEDRO N#CCc1ccc(Nc2ccc3c(c2)CC[NH2+]C3)c(I)c1 ZINC001159818293 1034753019 /nfs/dbraw/zinc/75/30/19/1034753019.db2.gz JYEVOFFQHDNYJF-UHFFFAOYSA-N 1 0 389.240 3.747 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001231616764 1034773612 /nfs/dbraw/zinc/77/36/12/1034773612.db2.gz KHZOFWPFDFUAAS-QFIPXVFZSA-N 1 0 385.508 3.932 20 30 GHEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)CC1 ZINC001208174957 1034774169 /nfs/dbraw/zinc/77/41/69/1034774169.db2.gz LLHPTGFEFKCJFC-ZHHKINOHSA-N 1 0 384.520 3.820 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(CCC(=O)N2Cc2ccccc2)CC1 ZINC001231618927 1034775684 /nfs/dbraw/zinc/77/56/84/1034775684.db2.gz DWIYFRKIWBBXIX-UHFFFAOYSA-N 1 0 389.499 3.724 20 30 GHEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001231619985 1034777757 /nfs/dbraw/zinc/77/77/57/1034777757.db2.gz NLJIBNBOMUFQQB-NHCUHLMSSA-N 1 0 391.471 3.552 20 30 GHEDRO C=CCOc1cccc(CN2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)c1 ZINC001231622166 1034779293 /nfs/dbraw/zinc/77/92/93/1034779293.db2.gz SLTDXGHGCXEDRI-FQEVSTJZSA-N 1 0 381.520 3.994 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001231622783 1034781356 /nfs/dbraw/zinc/78/13/56/1034781356.db2.gz IFRNFYBAVMDSQI-DEOSSOPVSA-N 1 0 391.515 3.804 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c1 ZINC001231622410 1034781624 /nfs/dbraw/zinc/78/16/24/1034781624.db2.gz YZZQPZLOCQZDNR-BJKOFHAPSA-N 1 0 394.515 3.987 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC001231622995 1034783109 /nfs/dbraw/zinc/78/31/09/1034783109.db2.gz PMJFTWJALKOWFI-JOCHJYFZSA-N 1 0 376.500 3.890 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001231623486 1034783585 /nfs/dbraw/zinc/78/35/85/1034783585.db2.gz GECSNFKUUSOVNX-DEOSSOPVSA-N 1 0 387.483 3.752 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCc3cccc(F)c3)C[C@@H]2c2ccccc2)C1=O ZINC001208198261 1034792333 /nfs/dbraw/zinc/79/23/33/1034792333.db2.gz ZHAWBDBKIVJTFX-VWNXMTODSA-N 1 0 378.491 3.872 20 30 GHEDRO CCc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)nc1 ZINC001231641764 1034800976 /nfs/dbraw/zinc/80/09/76/1034800976.db2.gz QGQRMSWCFQNKLE-DEOSSOPVSA-N 1 0 390.531 3.635 20 30 GHEDRO COc1ccc(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)cc1C#N ZINC001159965035 1034805641 /nfs/dbraw/zinc/80/56/41/1034805641.db2.gz LXLAFEQIKRCXFG-UHFFFAOYSA-N 1 0 390.409 3.734 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1 ZINC001231655967 1034813031 /nfs/dbraw/zinc/81/30/31/1034813031.db2.gz WOKRMHGREZLXHR-XMMPIXPASA-N 1 0 389.543 3.566 20 30 GHEDRO C#Cc1cccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001231657200 1034814818 /nfs/dbraw/zinc/81/48/18/1034814818.db2.gz OQFKOXBOGPDLEN-JOCHJYFZSA-N 1 0 381.470 3.796 20 30 GHEDRO N#CC1(Nc2nc(Cl)nc3[nH]cc(F)c32)CC[NH+](Cc2ccccc2)CC1 ZINC001160100163 1034859317 /nfs/dbraw/zinc/85/93/17/1034859317.db2.gz UPUATBRVDSQJLP-UHFFFAOYSA-N 1 0 384.846 3.721 20 30 GHEDRO COC(=O)/C=C/c1cc(C)cnc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001160107694 1034863897 /nfs/dbraw/zinc/86/38/97/1034863897.db2.gz YZBONIMTMOTDBX-CMDGGOBGSA-N 1 0 390.487 3.547 20 30 GHEDRO N#Cc1cc(Nc2ccc(OCC3CCOCC3)c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001160126941 1034873862 /nfs/dbraw/zinc/87/38/62/1034873862.db2.gz LUANGVZMACDKMN-UHFFFAOYSA-N 1 0 381.451 3.933 20 30 GHEDRO CCOC(=O)CCCc1ccc(C#N)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001160223240 1034907140 /nfs/dbraw/zinc/90/71/40/1034907140.db2.gz SHLAJZDGTMJFOH-UHFFFAOYSA-N 1 0 388.471 3.746 20 30 GHEDRO CCOC(=O)C(C)(C)Oc1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001160243006 1034915507 /nfs/dbraw/zinc/91/55/07/1034915507.db2.gz DORCCDMYMHBGID-UHFFFAOYSA-N 1 0 379.460 3.709 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001231816793 1034926659 /nfs/dbraw/zinc/92/66/59/1034926659.db2.gz SIOMYMVWCXTLIZ-UHFFFAOYSA-N 1 0 398.551 3.869 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3nccc4ccccc43)CC2)cc1 ZINC001231819612 1034927531 /nfs/dbraw/zinc/92/75/31/1034927531.db2.gz DBSMZUJBWXHCBS-UHFFFAOYSA-N 1 0 385.515 3.907 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC001231817937 1034927589 /nfs/dbraw/zinc/92/75/89/1034927589.db2.gz OZTVRXOJZYYINE-UHFFFAOYSA-N 1 0 391.544 3.968 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1c1ccc(F)cc1 ZINC001231820652 1034928054 /nfs/dbraw/zinc/92/80/54/1034928054.db2.gz IWWNJCBXHXYSQL-YADHBBJMSA-N 1 0 395.478 3.564 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231821042 1034929404 /nfs/dbraw/zinc/92/94/04/1034929404.db2.gz OBVQPNRXJHHOJX-MJGOQNOKSA-N 1 0 386.540 3.772 20 30 GHEDRO N#Cc1ccc(CC2CCN(C(=O)[C@@H]3C[C@@H](c4ccccc4)CC[NH2+]3)CC2)cc1 ZINC001160569417 1035004726 /nfs/dbraw/zinc/00/47/26/1035004726.db2.gz QDYYZCVJCPLHIM-ZEQRLZLVSA-N 1 0 387.527 3.875 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)cc1Cl ZINC001277597172 1035031221 /nfs/dbraw/zinc/03/12/21/1035031221.db2.gz ZJLAIOBTJSGWOS-IBGZPJMESA-N 1 0 381.854 3.681 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2cnn(CC3CC3)c21 ZINC001208849786 1035056874 /nfs/dbraw/zinc/05/68/74/1035056874.db2.gz MTBSPHIGRTUFGX-JOCHJYFZSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1 ZINC001208849615 1035057005 /nfs/dbraw/zinc/05/70/05/1035057005.db2.gz KJSHVXQDZCDCMV-DNVJHFABSA-N 1 0 377.488 3.587 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1 ZINC001208850073 1035057224 /nfs/dbraw/zinc/05/72/24/1035057224.db2.gz WAOPRJGEWZOOEI-JTHBVZDNSA-N 1 0 377.488 3.588 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@H+](CCCc1cccc(C#N)c1)CCO2 ZINC001208851784 1035057688 /nfs/dbraw/zinc/05/76/88/1035057688.db2.gz LJXNUYWMKBHWQL-HSZRJFAPSA-N 1 0 399.535 3.593 20 30 GHEDRO N#Cc1cccc(CCC[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)c1 ZINC001208851349 1035057758 /nfs/dbraw/zinc/05/77/58/1035057758.db2.gz FAXJKHQNNSYFDX-UHFFFAOYSA-N 1 0 379.548 3.996 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1 ZINC001208856745 1035061213 /nfs/dbraw/zinc/06/12/13/1035061213.db2.gz RWZZGNOUFZIGPO-JOCHJYFZSA-N 1 0 377.488 3.588 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)cc1 ZINC001208859169 1035063040 /nfs/dbraw/zinc/06/30/40/1035063040.db2.gz MJAJQDPPCFXPED-UHFFFAOYSA-N 1 0 377.488 3.712 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)cc1 ZINC001208859917 1035063684 /nfs/dbraw/zinc/06/36/84/1035063684.db2.gz VWJSJUBKWXQVPK-UHFFFAOYSA-N 1 0 375.520 3.663 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)cc1 ZINC001208859878 1035064205 /nfs/dbraw/zinc/06/42/05/1035064205.db2.gz VEISDIYFZIKFDQ-HXUWFJFHSA-N 1 0 395.478 3.727 20 30 GHEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)cc1 ZINC001208861507 1035064667 /nfs/dbraw/zinc/06/46/67/1035064667.db2.gz LOBFSZSPWFIFSD-NZQKXSOJSA-N 1 0 395.478 3.727 20 30 GHEDRO CC[N@H+](CCCc1ccc(C#N)cc1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001208863691 1035066162 /nfs/dbraw/zinc/06/61/62/1035066162.db2.gz JZNSUIMAHXTURU-XMMPIXPASA-N 1 0 377.532 3.714 20 30 GHEDRO Cc1ncsc1C[NH2+][C@@]12CC[C@@](NC(=O)c3ccc(C#N)s3)(C1)CCC2 ZINC001276595713 1035066897 /nfs/dbraw/zinc/06/68/97/1035066897.db2.gz JKBHEVAKFUGKLW-RBUKOAKNSA-N 1 0 386.546 3.750 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2)C(F)(F)F ZINC001208893348 1035078601 /nfs/dbraw/zinc/07/86/01/1035078601.db2.gz IOIUQTIBOVFBSA-QFBILLFUSA-N 1 0 381.442 3.675 20 30 GHEDRO N#Cc1ccc(CCN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC001208930057 1035092561 /nfs/dbraw/zinc/09/25/61/1035092561.db2.gz ZNAAHAXQVOTCJD-UHFFFAOYSA-N 1 0 388.298 3.866 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]12 ZINC001232114108 1035102181 /nfs/dbraw/zinc/10/21/81/1035102181.db2.gz DBSIVDOMLPIZCW-XZOQPEGZSA-N 1 0 393.918 3.976 20 30 GHEDRO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccc(C#N)c(Cl)c2)C3)n1 ZINC001232114040 1035102208 /nfs/dbraw/zinc/10/22/08/1035102208.db2.gz BWRMSYISFLPSGA-KNQAVFIVSA-N 1 0 397.906 3.580 20 30 GHEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001160951482 1035103135 /nfs/dbraw/zinc/10/31/35/1035103135.db2.gz MFNJLHWQNLNYLH-UUOWRZLLSA-N 1 0 399.494 3.924 20 30 GHEDRO N#C[C@H](c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nn1)c1ccccc1F ZINC001161186746 1035170667 /nfs/dbraw/zinc/17/06/67/1035170667.db2.gz QHQAVIGGEUFLPZ-HKUYNNGSSA-N 1 0 379.483 3.948 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(NCC2CC[NH+](CC3CCC3)CC2)n1 ZINC001161233066 1035186814 /nfs/dbraw/zinc/18/68/14/1035186814.db2.gz HORZSLMAVVDMQM-KEBDBYFISA-N 1 0 383.949 3.584 20 30 GHEDRO C#CCCC[NH+]1CCC2(CC1)C[C@H](CC(=O)NCC(C)C)c1ccccc1O2 ZINC001209267909 1035227329 /nfs/dbraw/zinc/22/73/29/1035227329.db2.gz XXZPCAZUGCCLJG-FQEVSTJZSA-N 1 0 382.548 3.963 20 30 GHEDRO N#Cc1c(Cl)ncnc1NCC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001161577590 1035262840 /nfs/dbraw/zinc/26/28/40/1035262840.db2.gz KSWATOQKQJGCBT-UHFFFAOYSA-N 1 0 395.816 3.754 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CC3CCC(OC)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001209392427 1035267546 /nfs/dbraw/zinc/26/75/46/1035267546.db2.gz IJRQLVVEYBGDBB-QKMVCDTBSA-N 1 0 382.548 3.696 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[NH2+][C@@H](C)c1ccccc1 ZINC001209556368 1035311018 /nfs/dbraw/zinc/31/10/18/1035311018.db2.gz DLEYFBJRYDGVSP-RDJZCZTQSA-N 1 0 391.562 3.664 20 30 GHEDRO N#CC1(c2ccc(Nc3ccc(Br)cc3C[NH3+])nc2)CCOCC1 ZINC001161852783 1035315740 /nfs/dbraw/zinc/31/57/40/1035315740.db2.gz DARGQUXLCAOFOX-UHFFFAOYSA-N 1 0 387.281 3.618 20 30 GHEDRO Cc1cc(Cl)ncc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001209633571 1035338941 /nfs/dbraw/zinc/33/89/41/1035338941.db2.gz OHROAFLREFLBQQ-OAQYLSRUSA-N 1 0 380.879 3.544 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cc(F)ccc3C(F)(F)F)no2)cc1 ZINC001248154748 1035580046 /nfs/dbraw/zinc/58/00/46/1035580046.db2.gz GBNFAOFHRLEDHS-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(F)cc3C(F)(F)F)no2)c1 ZINC001248155505 1035581398 /nfs/dbraw/zinc/58/13/98/1035581398.db2.gz QUAXRFMIYCMXNK-CQSZACIVSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cccc(OC(F)(F)F)c3)no2)cc1 ZINC001248155812 1035583208 /nfs/dbraw/zinc/58/32/08/1035583208.db2.gz MNHXZYMVESSTNH-OAHLLOKOSA-N 1 0 388.349 3.619 20 30 GHEDRO N#Cc1cc(F)cc(-c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)c1 ZINC001241657380 1035643843 /nfs/dbraw/zinc/64/38/43/1035643843.db2.gz MCYHGCGXJDEHGL-SFHVURJKSA-N 1 0 389.434 3.874 20 30 GHEDRO Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(Br)cc3C#N)no2)cc1 ZINC001248231908 1035669506 /nfs/dbraw/zinc/66/95/06/1035669506.db2.gz BQTBSBVNIWHAAP-INIZCTEOSA-N 1 0 397.276 3.792 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2ccc(CN3CC[NH2+]CC3)cc2)n1 ZINC001241976966 1035772453 /nfs/dbraw/zinc/77/24/53/1035772453.db2.gz ITUZJQICNHIRND-UHFFFAOYSA-N 1 0 392.547 3.867 20 30 GHEDRO N#Cc1cc(F)ccc1-c1cc(N2CCC[C@@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001242582083 1035926431 /nfs/dbraw/zinc/92/64/31/1035926431.db2.gz LEOQSSDZYGWDQP-QGZVFWFLSA-N 1 0 389.434 3.874 20 30 GHEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2cccc(N3CC[NH+](C)CC3)c2)n1 ZINC001243669682 1036245273 /nfs/dbraw/zinc/24/52/73/1036245273.db2.gz PLWDRJJLGQIRIU-KODJDXEOSA-N 1 0 398.576 3.690 20 30 GHEDRO N#Cc1c(Cl)cccc1-c1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001244734247 1036619679 /nfs/dbraw/zinc/61/96/79/1036619679.db2.gz QHJODHQCGNQOGG-UHFFFAOYSA-N 1 0 394.906 3.974 20 30 GHEDRO Cc1cc(N2CCN(C(=S)Nc3ccc(C#N)cc3)CC2)c2ccccc2[nH+]1 ZINC001245888916 1037043998 /nfs/dbraw/zinc/04/39/98/1037043998.db2.gz ZZTDFBGNAIIDJU-UHFFFAOYSA-N 1 0 387.512 3.934 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN[C@]1(C)CC[NH2+]C1 ZINC001245988520 1037112222 /nfs/dbraw/zinc/11/22/22/1037112222.db2.gz CZHXMSAIWALRAF-FGZHOGPDSA-N 1 0 386.621 3.643 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)c(Cl)c1 ZINC001462161862 1070043889 /nfs/dbraw/zinc/04/38/89/1070043889.db2.gz CAZOWABZIONACA-LJQANCHMSA-N 1 0 380.923 3.860 20 30 GHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246481857 1037428562 /nfs/dbraw/zinc/42/85/62/1037428562.db2.gz JBLKGIGGRPIDDX-AZUAARDMSA-N 1 0 388.552 3.624 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CCN[C@H](c3ccc(F)cc3C)C1)C2 ZINC001246709171 1037560674 /nfs/dbraw/zinc/56/06/74/1037560674.db2.gz SFMLZNHAEBHTON-ODGPQVTHSA-N 1 0 399.554 3.960 20 30 GHEDRO Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246864339 1037682409 /nfs/dbraw/zinc/68/24/09/1037682409.db2.gz ONWAKKNPKWXPDH-DENIHFKCSA-N 1 0 396.485 3.760 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(C[C@@H]([NH3+])Cc4ccncc4)n3)cc2)cc1 ZINC001247157138 1037953436 /nfs/dbraw/zinc/95/34/36/1037953436.db2.gz HTWCSHUHLVUEBG-NRFANRHFSA-N 1 0 381.439 3.783 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4nccc5ccccc54)C3)CC2=O)c1 ZINC001232255734 1037980063 /nfs/dbraw/zinc/98/00/63/1037980063.db2.gz YMNYGARWZNBDCT-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO N#Cc1ccc(-c2noc([C@H](c3ccco3)N3CCC[C@H]([NH3+])C3)n2)c2ccccc12 ZINC001247328034 1038124716 /nfs/dbraw/zinc/12/47/16/1038124716.db2.gz PIMNZTNCHDOFIS-KKSFZXQISA-N 1 0 399.454 3.867 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)C2 ZINC001232578775 1038346367 /nfs/dbraw/zinc/34/63/67/1038346367.db2.gz TXJKYKXGIUTDDT-FPOVZHCZSA-N 1 0 393.911 3.700 20 30 GHEDRO COc1cccc(C)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001232622487 1038411032 /nfs/dbraw/zinc/41/10/32/1038411032.db2.gz QXIUDECRORLXHK-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO CCCCCCCCOc1ccc(-c2noc(C3=NOC4(C[NH2+]C4)C3)n2)cc1 ZINC001247873741 1038443042 /nfs/dbraw/zinc/44/30/42/1038443042.db2.gz IIQNBJQAVFYBMN-UHFFFAOYSA-N 1 0 384.480 3.942 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(Br)c(C)n1)CC2 ZINC001232663161 1038455197 /nfs/dbraw/zinc/45/51/97/1038455197.db2.gz SGWZOFGKKINCFP-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@@H]4CC[C@@]5(C4)C[NH2+]CCO5)n3)cc2)cc1 ZINC001247916841 1038491872 /nfs/dbraw/zinc/49/18/72/1038491872.db2.gz LHOGSCBOBAJFST-NFBKMPQASA-N 1 0 386.455 3.901 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@H]4C[C@H]5C[NH2+]CC[C@@H]5O4)n3)cc2)cc1 ZINC001247920118 1038495607 /nfs/dbraw/zinc/49/56/07/1038495607.db2.gz GZUFMHDSVOLPFV-FFZOFVMBSA-N 1 0 388.427 3.840 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3CO[C@]4(C3)CCC[NH2+]CC4)n2)cc1Cl ZINC001247924664 1038500498 /nfs/dbraw/zinc/50/04/98/1038500498.db2.gz IIYSLKYUPVIHGH-KPZWWZAWSA-N 1 0 393.274 3.931 20 30 GHEDRO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001232890722 1038679875 /nfs/dbraw/zinc/67/98/75/1038679875.db2.gz LZGFTWGIQVHDIG-QHCPKHFHSA-N 1 0 375.447 3.598 20 30 GHEDRO N#Cc1cc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)ccc1Br ZINC001232898047 1038692690 /nfs/dbraw/zinc/69/26/90/1038692690.db2.gz YHPRWXNPQOHDPM-ROUUACIJSA-N 1 0 380.305 3.719 20 30 GHEDRO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)Cc1cccc(C#N)n1 ZINC001232926283 1038714094 /nfs/dbraw/zinc/71/40/94/1038714094.db2.gz GRWBFSORXCKTEJ-CVAIRZPRSA-N 1 0 375.513 3.547 20 30 GHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001233081746 1038850344 /nfs/dbraw/zinc/85/03/44/1038850344.db2.gz NXQWVPGQTBQMON-QFIPXVFZSA-N 1 0 391.515 3.959 20 30 GHEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001252132515 1038886090 /nfs/dbraw/zinc/88/60/90/1038886090.db2.gz IDMNDUIOBCGUCH-QZTJIDSGSA-N 1 0 376.516 3.967 20 30 GHEDRO CCCCC[C@H](C)[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340706 1038947436 /nfs/dbraw/zinc/94/74/36/1038947436.db2.gz SQCKOYCAXOYAEW-SCLBCKFNSA-N 1 0 385.430 3.825 20 30 GHEDRO CCCCCCCCCCCCCCOC[C@@H](O)C[NH2+]C[C@@H]1CNC(=O)C1 ZINC001252372429 1038961227 /nfs/dbraw/zinc/96/12/27/1038961227.db2.gz HXJCAEYFZDOGKX-RTWAWAEBSA-N 1 0 384.605 3.791 20 30 GHEDRO C=CCOC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC001252491626 1039004738 /nfs/dbraw/zinc/00/47/38/1039004738.db2.gz SPLKXFTXXNRFPN-QFBILLFUSA-N 1 0 376.294 3.692 20 30 GHEDRO CC(C)CC1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC001252507621 1039011052 /nfs/dbraw/zinc/01/10/52/1039011052.db2.gz MXZFEETWYAOUAG-UHFFFAOYSA-N 1 0 382.552 3.990 20 30 GHEDRO Cc1scc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC001252509281 1039011650 /nfs/dbraw/zinc/01/16/50/1039011650.db2.gz XPMMGJHIQCSPSE-UHFFFAOYSA-N 1 0 382.533 3.700 20 30 GHEDRO C=CCC[C@H](O)C[NH+]1CCC2(C[C@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC001252597434 1039041142 /nfs/dbraw/zinc/04/11/42/1039041142.db2.gz ZJKGEORMQQUMSA-ICSRJNTNSA-N 1 0 382.548 3.503 20 30 GHEDRO C=CCC[C@@H](O)C[N@H+](Cc1cccnc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001252603680 1039044593 /nfs/dbraw/zinc/04/45/93/1039044593.db2.gz DQTAJQSELIGPNN-VQTJNVASSA-N 1 0 389.540 3.610 20 30 GHEDRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CCCOc2ccccc2C#N)cc1 ZINC001252768221 1039160484 /nfs/dbraw/zinc/16/04/84/1039160484.db2.gz FQJMFBHYHOLBFT-FQEVSTJZSA-N 1 0 382.504 3.654 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(N)cc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001233374739 1039196288 /nfs/dbraw/zinc/19/62/88/1039196288.db2.gz OWUXLSDTXCHUMN-OFNKIYASSA-N 1 0 395.934 3.926 20 30 GHEDRO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001233384759 1039208550 /nfs/dbraw/zinc/20/85/50/1039208550.db2.gz HXXXZQCQSPOARG-IBGZPJMESA-N 1 0 397.544 3.581 20 30 GHEDRO N#Cc1ccc(-c2ccccc2NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC001252942494 1039286029 /nfs/dbraw/zinc/28/60/29/1039286029.db2.gz ZLURKYFMAFEEMV-XMMPIXPASA-N 1 0 384.483 3.669 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001252980588 1039309457 /nfs/dbraw/zinc/30/94/57/1039309457.db2.gz WHFJKQZJLJDYDE-DXBBTUNJSA-N 1 0 396.616 3.693 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC001252984275 1039312538 /nfs/dbraw/zinc/31/25/38/1039312538.db2.gz FYBHAEAQGATMIT-JOCHJYFZSA-N 1 0 396.616 3.885 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001252986909 1039314422 /nfs/dbraw/zinc/31/44/22/1039314422.db2.gz YERBPFWARCGXHE-UWHLTILDSA-N 1 0 393.572 3.902 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001253236090 1039490069 /nfs/dbraw/zinc/49/00/69/1039490069.db2.gz RFNCHTOCNBJSMU-LJQANCHMSA-N 1 0 376.589 3.771 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001253246899 1039501524 /nfs/dbraw/zinc/50/15/24/1039501524.db2.gz DIJMKKRIEBSXDE-XQBPLPMBSA-N 1 0 396.572 3.632 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](C[C@H](O)CCOCc3ccccc3)CC2)cc1 ZINC001253274546 1039521138 /nfs/dbraw/zinc/52/11/38/1039521138.db2.gz JHSUSEQWDUCVTQ-XMMPIXPASA-N 1 0 378.516 3.781 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001253564813 1039706313 /nfs/dbraw/zinc/70/63/13/1039706313.db2.gz HRBSVYJVDYFVFQ-HXUWFJFHSA-N 1 0 390.634 3.672 20 30 GHEDRO C=C[C@H](O)C[NH+]1CCC(c2cc3cc(OC)cc(Br)c3o2)CC1 ZINC001253586909 1039711875 /nfs/dbraw/zinc/71/18/75/1039711875.db2.gz UWABFDDHTHNZPE-AWEZNQCLSA-N 1 0 380.282 3.930 20 30 GHEDRO C=C[C@H](O)C[NH2+][C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)ccc21 ZINC001253598862 1039715399 /nfs/dbraw/zinc/71/53/99/1039715399.db2.gz ACKFSHBEYVRAJX-PXNSSMCTSA-N 1 0 386.536 3.845 20 30 GHEDRO C=C[C@@H](O)C[NH2+]CC1(c2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253608587 1039720100 /nfs/dbraw/zinc/72/01/00/1039720100.db2.gz CTNPZDLGSAZZLP-MRXNPFEDSA-N 1 0 394.943 3.745 20 30 GHEDRO C=C[C@@H](O)C[NH2+]CC1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253609165 1039720631 /nfs/dbraw/zinc/72/06/31/1039720631.db2.gz JVUOETAOUFDQPT-GOSISDBHSA-N 1 0 394.943 3.745 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1CCN(C)C1 ZINC001253614842 1039725603 /nfs/dbraw/zinc/72/56/03/1039725603.db2.gz WBLZPEUGSAIQQX-FCHUYYIVSA-N 1 0 386.621 3.595 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@H](O)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001254008294 1039949276 /nfs/dbraw/zinc/94/92/76/1039949276.db2.gz NQXQJXRYAHJYAT-HSZRJFAPSA-N 1 0 393.527 3.977 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@H]2C[C@@]3(CCC[NH2+]3)CO2)cc1 ZINC001254064374 1039980654 /nfs/dbraw/zinc/98/06/54/1039980654.db2.gz MTNWHYYUICPWRZ-QPPBQGQZSA-N 1 0 384.483 3.505 20 30 GHEDRO C#Cc1ccc(-c2ccc(-c3cn(C[C@@H]4C[C@]5(CO4)CCC[NH2+]C5)nn3)cc2)cc1 ZINC001254067397 1039981563 /nfs/dbraw/zinc/98/15/63/1039981563.db2.gz ICGBITBDLILROB-UKILVPOCSA-N 1 0 398.510 3.752 20 30 GHEDRO Cc1ccc(C[N@H+]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC001254313279 1040166478 /nfs/dbraw/zinc/16/64/78/1040166478.db2.gz JDRKJHUGDIDPGG-UHFFFAOYSA-N 1 0 399.542 3.975 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(Cc3cccnc3)CC2)CC1 ZINC001254352854 1040185199 /nfs/dbraw/zinc/18/51/99/1040185199.db2.gz GSBZELRAYCWAJB-UHFFFAOYSA-N 1 0 378.495 3.742 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(N3CCCOC3=O)CC2)CC1 ZINC001254358961 1040191198 /nfs/dbraw/zinc/19/11/98/1040191198.db2.gz CZFVQWFMFHPDLV-UHFFFAOYSA-N 1 0 385.483 3.836 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)CC1 ZINC001254358991 1040191248 /nfs/dbraw/zinc/19/12/48/1040191248.db2.gz DOACGPKBWWQGMX-SCCNAQOGSA-N 1 0 384.430 3.612 20 30 GHEDRO C=C[C@H](C)Oc1c2c(c(OC)cc1CC[NH+](C)C)C(=O)c1ccc(OC)c(O)c1-2 ZINC001234807677 1040338712 /nfs/dbraw/zinc/33/87/12/1040338712.db2.gz MURAQRPFYGXDDH-ZDUSSCGKSA-N 1 0 397.471 3.678 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)CC2 ZINC001254626145 1040401998 /nfs/dbraw/zinc/40/19/98/1040401998.db2.gz OPSFMCZXRGUIIO-HSZRJFAPSA-N 1 0 385.527 3.828 20 30 GHEDRO C=CCc1c(OC2CC[NH+](C)CC2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234902731 1040416135 /nfs/dbraw/zinc/41/61/35/1040416135.db2.gz WSXQCFSCPZYHIF-UHFFFAOYSA-N 1 0 375.472 3.587 20 30 GHEDRO C=CCc1c(O[C@@H]2CCC[N@@H+](CC)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234903173 1040416854 /nfs/dbraw/zinc/41/68/54/1040416854.db2.gz JWGRGPSCQVYMNA-LJQANCHMSA-N 1 0 389.499 3.977 20 30 GHEDRO COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254659273 1040423309 /nfs/dbraw/zinc/42/33/09/1040423309.db2.gz NAIYVXOMTFXCSX-PBHICJAKSA-N 1 0 381.501 3.690 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@H+]([C@H]2CC[C@@H](C#N)C2)C2CCOCC2)CC1 ZINC001254676599 1040432292 /nfs/dbraw/zinc/43/22/92/1040432292.db2.gz MKJNFRGNTYXRLA-MLYOOKFZSA-N 1 0 391.556 3.996 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+][C@@H]1CCc3c1cccc3C#N)CS2 ZINC001254690907 1040448869 /nfs/dbraw/zinc/44/88/69/1040448869.db2.gz NAGVCIZOXDVXIT-CRAIPNDOSA-N 1 0 385.533 3.630 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=[NH2+])c3ccc4cc(O)ccc4c3)C[C@@H]2C1 ZINC001254896208 1040651148 /nfs/dbraw/zinc/65/11/48/1040651148.db2.gz QWWNQCITZYCMAA-BWTSREIZSA-N 1 0 395.503 3.896 20 30 GHEDRO CC[C@@H](CC#N)[NH2+]CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001255164425 1040883227 /nfs/dbraw/zinc/88/32/27/1040883227.db2.gz MBLZXWFMASCCNR-HOTGVXAUSA-N 1 0 383.533 3.674 20 30 GHEDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001255355140 1040959304 /nfs/dbraw/zinc/95/93/04/1040959304.db2.gz YUAMQKMZFFOBIY-NYSBEXSLSA-N 1 0 395.503 3.816 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)co3)CC2)C1=O ZINC001277949728 1040965022 /nfs/dbraw/zinc/96/50/22/1040965022.db2.gz ZRLNDOXNNVWGOZ-GOSISDBHSA-N 1 0 394.313 3.550 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001235514430 1040970469 /nfs/dbraw/zinc/97/04/69/1040970469.db2.gz PAZKMCJIDSPLDA-VWLOTQADSA-N 1 0 387.527 3.810 20 30 GHEDRO Cc1nc(CN2CC[C@@]3(CCC[N@H+](Cc4ccccc4CC#N)C3)C2=O)cs1 ZINC001235515554 1040971319 /nfs/dbraw/zinc/97/13/19/1040971319.db2.gz AVMOHQMMTFXCNQ-JOCHJYFZSA-N 1 0 394.544 3.532 20 30 GHEDRO N#CCc1ccccc1C[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001235519255 1040973366 /nfs/dbraw/zinc/97/33/66/1040973366.db2.gz SGNALHVOZBRRQC-JOCHJYFZSA-N 1 0 381.426 3.660 20 30 GHEDRO CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235529049 1040976315 /nfs/dbraw/zinc/97/63/15/1040976315.db2.gz WJILZUUSIXGCCJ-UHFFFAOYSA-N 1 0 391.515 3.936 20 30 GHEDRO N#Cc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c(F)c1 ZINC001255408973 1040996408 /nfs/dbraw/zinc/99/64/08/1040996408.db2.gz RERNHKXQEBALRL-JOCHJYFZSA-N 1 0 392.522 3.874 20 30 GHEDRO COCCCN(Cc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235806477 1041314204 /nfs/dbraw/zinc/31/42/04/1041314204.db2.gz OVKHWTHGAPKLQU-OAQYLSRUSA-N 1 0 379.504 3.941 20 30 GHEDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(Br)c(C#N)c3)C2)C1=O ZINC001277974943 1041400700 /nfs/dbraw/zinc/40/07/00/1041400700.db2.gz QDYXINMTTJIXDY-KUHUBIRLSA-N 1 0 390.325 3.544 20 30 GHEDRO COc1cccc(OC)c1CN1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC001255922734 1041409742 /nfs/dbraw/zinc/40/97/42/1041409742.db2.gz QSDLYRBYVQMFQI-KRWDZBQOSA-N 1 0 379.504 3.891 20 30 GHEDRO Cn1cc(CN2CC3(C2)CN(Cc2cc(F)c(Cl)cc2Cl)C3)cc1C#N ZINC001278897276 1041419941 /nfs/dbraw/zinc/41/99/41/1041419941.db2.gz FIIXEDNMBBAWFQ-UHFFFAOYSA-N 1 0 393.293 3.660 20 30 GHEDRO COc1cc(N2CCC([N@@H+]3CCc4ccc(C#N)cc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256093208 1041522122 /nfs/dbraw/zinc/52/21/22/1041522122.db2.gz IEVCPLBGKXWQHZ-UHFFFAOYSA-N 1 0 392.459 3.502 20 30 GHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3C[C@@H]4C[NH2+]C[C@@H]43)c2)cc1 ZINC001236293046 1041662238 /nfs/dbraw/zinc/66/22/38/1041662238.db2.gz NRKQBYZCXJUCRG-KXBFYZLASA-N 1 0 384.277 3.517 20 30 GHEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1-c1cccc2c1CC[NH2+]C2 ZINC001236343035 1041678087 /nfs/dbraw/zinc/67/80/87/1041678087.db2.gz GZDALILPIIOKKT-UHFFFAOYSA-N 1 0 380.564 3.915 20 30 GHEDRO C#CCOc1ccc(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1OC ZINC001236391832 1041696430 /nfs/dbraw/zinc/69/64/30/1041696430.db2.gz GATWOKOEFTZGAS-NRFANRHFSA-N 1 0 382.479 3.601 20 30 GHEDRO COC(=O)c1cccc(CN(Cc2cc(Cl)cc(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001236467100 1041729081 /nfs/dbraw/zinc/72/90/81/1041729081.db2.gz MVCOHKMTHOTSFE-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)cc3c1OCCC3)C2 ZINC001236616689 1041783880 /nfs/dbraw/zinc/78/38/80/1041783880.db2.gz RBJPQHMHGYNNNQ-IFMALSPDSA-N 1 0 375.484 3.724 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC(F)F)cc1F)CC2 ZINC001236714485 1041850240 /nfs/dbraw/zinc/85/02/40/1041850240.db2.gz KIFQLPSMIMZYPT-FQEVSTJZSA-N 1 0 382.426 3.960 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)c(Br)c2)cc(OC)c1 ZINC001236865238 1041934205 /nfs/dbraw/zinc/93/42/05/1041934205.db2.gz ZWRMFCOAQIROTN-UHFFFAOYSA-N 1 0 375.266 3.970 20 30 GHEDRO CSc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C#N ZINC001462580899 1070386950 /nfs/dbraw/zinc/38/69/50/1070386950.db2.gz NCOQGQNPFCJUKN-ZDUSSCGKSA-N 1 0 384.461 3.695 20 30 GHEDRO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1I ZINC001237081816 1042027946 /nfs/dbraw/zinc/02/79/46/1042027946.db2.gz SGGHFSVXGCCEMB-UHFFFAOYSA-N 1 0 392.240 3.803 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237288664 1042125928 /nfs/dbraw/zinc/12/59/28/1042125928.db2.gz IFGOIMHHUBBWLA-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO CCn1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(-c2ccccc2)n1 ZINC001462593340 1070397850 /nfs/dbraw/zinc/39/78/50/1070397850.db2.gz HDLZODCVTPSZBK-OAQYLSRUSA-N 1 0 386.503 3.913 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccccc3NC(C)=O)C2)CC1 ZINC001237403083 1042192950 /nfs/dbraw/zinc/19/29/50/1042192950.db2.gz BSWHSDWGMYBNEU-UHFFFAOYSA-N 1 0 385.508 3.646 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(Cc1c(Cl)[nH]c3cnccc31)CCO2 ZINC001237452564 1042213664 /nfs/dbraw/zinc/21/36/64/1042213664.db2.gz VEVNNIKCYFHQMC-FOIQADDNSA-N 1 0 375.900 3.790 20 30 GHEDRO N#Cc1cc(C[N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)ccn1 ZINC001237461274 1042217736 /nfs/dbraw/zinc/21/77/36/1042217736.db2.gz BFDHHHZLFHXYBJ-RDGATRHJSA-N 1 0 398.510 3.998 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c2cc(C#N)ccc21 ZINC001237467655 1042220387 /nfs/dbraw/zinc/22/03/87/1042220387.db2.gz DQAJCRXCGKAPFQ-YLJYHZDGSA-N 1 0 391.544 3.603 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237468809 1042221260 /nfs/dbraw/zinc/22/12/60/1042221260.db2.gz QAYXFVNIKMBCAT-PXNSSMCTSA-N 1 0 394.519 3.881 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)C2 ZINC001237469025 1042221376 /nfs/dbraw/zinc/22/13/76/1042221376.db2.gz ROGZZKPFTFIXAE-HSZRJFAPSA-N 1 0 376.504 3.583 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473166 1042223703 /nfs/dbraw/zinc/22/37/03/1042223703.db2.gz UOGCMTOPLGRDTD-DNVCBOLYSA-N 1 0 382.508 3.928 20 30 GHEDRO Cn1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c2cc(C#N)ccc21 ZINC001237472913 1042224036 /nfs/dbraw/zinc/22/40/36/1042224036.db2.gz OTWYTIHVXSWNEL-UHFFFAOYSA-N 1 0 378.520 3.711 20 30 GHEDRO CN(C[C@H]1CC[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C1)C(=O)OC(C)(C)C ZINC001237473466 1042224748 /nfs/dbraw/zinc/22/47/48/1042224748.db2.gz KLDSVKGTZVOMRP-QGZVFWFLSA-N 1 0 382.508 3.739 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3cc(C#N)c(F)cc3F)C1)C2 ZINC001237531203 1042253136 /nfs/dbraw/zinc/25/31/36/1042253136.db2.gz WXQFUNAALNPKCN-WZONZLPQSA-N 1 0 396.437 3.932 20 30 GHEDRO CC(C)(C)c1ccc(C[NH+]2CCN(Cc3cn4cc(C#N)ccc4n3)CC2)cc1 ZINC001237607930 1042278895 /nfs/dbraw/zinc/27/88/95/1042278895.db2.gz AOUSARMEMUJRFB-UHFFFAOYSA-N 1 0 387.531 3.821 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)C1 ZINC001237681034 1042321466 /nfs/dbraw/zinc/32/14/66/1042321466.db2.gz KMNYFLOIDDIWEH-FQEVSTJZSA-N 1 0 378.900 3.965 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c1 ZINC001237758055 1042356480 /nfs/dbraw/zinc/35/64/80/1042356480.db2.gz WGURLWPDEVNUMG-UHFFFAOYSA-N 1 0 383.854 3.980 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]2C1 ZINC001238087286 1042487034 /nfs/dbraw/zinc/48/70/34/1042487034.db2.gz YHHDSLJNMNHEAI-RDJZCZTQSA-N 1 0 375.900 3.900 20 30 GHEDRO Cc1ccc(O)cc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001238093560 1042490183 /nfs/dbraw/zinc/49/01/83/1042490183.db2.gz GNYYKDYUHFAPRK-DEOSSOPVSA-N 1 0 391.515 3.691 20 30 GHEDRO N#Cc1cc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001238191601 1042514731 /nfs/dbraw/zinc/51/47/31/1042514731.db2.gz SWHCSUDRZJRRAM-UYAOXDASSA-N 1 0 385.870 3.688 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2ccc(Cl)c(C#N)c2)CC3)cn1 ZINC001238191084 1042514863 /nfs/dbraw/zinc/51/48/63/1042514863.db2.gz PFODBLFNBFRXHD-UHFFFAOYSA-N 1 0 383.927 3.576 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cccc(-c5cc[nH]n5)c4)C3)CC2=O)c1 ZINC001238212063 1042521390 /nfs/dbraw/zinc/52/13/90/1042521390.db2.gz ZIFWGKKBWXFPRP-XMMPIXPASA-N 1 0 397.482 3.577 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)c(-c4ccncc4)c3)C2)C1=O ZINC001238559704 1042637992 /nfs/dbraw/zinc/63/79/92/1042637992.db2.gz GZZYPJKEHDPKQB-QHCPKHFHSA-N 1 0 379.479 3.888 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(-c4ccncc4)ccc3OC)C2)C1=O ZINC001238602657 1042654870 /nfs/dbraw/zinc/65/48/70/1042654870.db2.gz CRAWIBXNOWSGAJ-XMMPIXPASA-N 1 0 391.515 3.758 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc(F)cc(N3CCCC3)c1)C2 ZINC001238703157 1042691506 /nfs/dbraw/zinc/69/15/06/1042691506.db2.gz GZDCPHZSUPSVRA-QHCPKHFHSA-N 1 0 385.527 3.959 20 30 GHEDRO CCc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)ccc1C#N ZINC001238761783 1042718190 /nfs/dbraw/zinc/71/81/90/1042718190.db2.gz GFJUJFPEQXGWCG-NZQKXSOJSA-N 1 0 395.478 3.857 20 30 GHEDRO CCc1cc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)ccc1C#N ZINC001238762988 1042718727 /nfs/dbraw/zinc/71/87/27/1042718727.db2.gz OVGGPCYHDNAQHL-HXUWFJFHSA-N 1 0 395.547 3.504 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001238852564 1042742111 /nfs/dbraw/zinc/74/21/11/1042742111.db2.gz NLRGASPXWPVFAS-UHFFFAOYSA-N 1 0 395.613 3.763 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC001239181118 1042781301 /nfs/dbraw/zinc/78/13/01/1042781301.db2.gz ASLFIJFNOUUYAE-UHFFFAOYSA-N 1 0 379.508 3.581 20 30 GHEDRO O=C(NC[C@]1(F)CCC[NH2+]C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239216510 1042788109 /nfs/dbraw/zinc/78/81/09/1042788109.db2.gz NZMPVSLBOWYIMN-ZDUSSCGKSA-N 1 0 387.299 3.937 20 30 GHEDRO CCCCCCCNC(=S)NC1(Cc2ccccc2OC)CC[NH2+]CC1 ZINC001239391715 1042820828 /nfs/dbraw/zinc/82/08/28/1042820828.db2.gz IMFYMEZUAUSAEU-UHFFFAOYSA-N 1 0 377.598 3.794 20 30 GHEDRO CCCCCCCCCCNC(=S)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001239402518 1042823396 /nfs/dbraw/zinc/82/33/96/1042823396.db2.gz SLDXESYQBSRHHX-IBGZPJMESA-N 1 0 398.661 3.711 20 30 GHEDRO CCCCCCCCCNC(=S)N1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001239418622 1042824910 /nfs/dbraw/zinc/82/49/10/1042824910.db2.gz CKPHUIUCWXPJPC-SFHVURJKSA-N 1 0 397.629 3.619 20 30 GHEDRO N#Cc1cc(-c2ccc(-c3cccc(OC(F)F)c3)nn2)cc(C2C[NH2+]C2)c1 ZINC001240346511 1042922486 /nfs/dbraw/zinc/92/24/86/1042922486.db2.gz POSXCVWAGDQMHT-UHFFFAOYSA-N 1 0 378.382 3.970 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001292464772 1043746394 /nfs/dbraw/zinc/74/63/94/1043746394.db2.gz JMYYOPHQCMALRY-QINSGFPZSA-N 1 0 382.479 3.779 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1[nH]c2ccccc2c1C#N ZINC001292470452 1043751016 /nfs/dbraw/zinc/75/10/16/1043751016.db2.gz JQUJGPSSPICKNF-UHFFFAOYSA-N 1 0 382.414 3.522 20 30 GHEDRO CCOCC[N@H+](C1CCC(C#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001256972175 1043777941 /nfs/dbraw/zinc/77/79/41/1043777941.db2.gz SPNZZTYNLPJOLI-UHFFFAOYSA-N 1 0 379.545 3.807 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCC(C#N)CC2)C[C@H]1C(F)(F)F ZINC001256971819 1043778202 /nfs/dbraw/zinc/77/82/02/1043778202.db2.gz MKBRRNHXIOQFKK-CVSAEHQPSA-N 1 0 375.435 3.846 20 30 GHEDRO N#Cc1ccc(C2CCC(N(Cc3ccccc3)C3(C[NH3+])COC3)CC2)cc1 ZINC001257011590 1043798489 /nfs/dbraw/zinc/79/84/89/1043798489.db2.gz UGJOHSQOSSATKC-UHFFFAOYSA-N 1 0 375.516 3.814 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1CO ZINC001257011202 1043798518 /nfs/dbraw/zinc/79/85/18/1043798518.db2.gz YKUCYRFLELADTP-TZWRJOPASA-N 1 0 399.535 3.544 20 30 GHEDRO CC(C)(C)[C@@H](CN1C(=O)CCC1=O)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015298 1043800925 /nfs/dbraw/zinc/80/09/25/1043800925.db2.gz IRIPFFAOZHZWAT-SOAGJPPSSA-N 1 0 381.520 3.738 20 30 GHEDRO COc1cccnc1N1CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257018909 1043803581 /nfs/dbraw/zinc/80/35/81/1043803581.db2.gz HIALTIOHQVKLDT-UHFFFAOYSA-N 1 0 376.504 3.810 20 30 GHEDRO COc1cnc(O[C@H]2CC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)nc1 ZINC001257022664 1043807112 /nfs/dbraw/zinc/80/71/12/1043807112.db2.gz OSBGZYIKNVTCMF-MHJFOBGBSA-N 1 0 378.476 3.536 20 30 GHEDRO Cc1nccc(N(C2CC[NH2+]CC2)C2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001257023093 1043807873 /nfs/dbraw/zinc/80/78/73/1043807873.db2.gz VHWSRHVIEUKIJG-UHFFFAOYSA-N 1 0 375.520 3.942 20 30 GHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001257142167 1043891474 /nfs/dbraw/zinc/89/14/74/1043891474.db2.gz HWAYBKURKXYYTK-SQNIBIBYSA-N 1 0 395.544 3.541 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H](C)CCC(=O)OCCCC)C2)C1 ZINC001257393852 1043981579 /nfs/dbraw/zinc/98/15/79/1043981579.db2.gz UTPULXJKHFZEQL-WIYYLYMNSA-N 1 0 380.529 3.609 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+]Cc1ncc(C#N)s1)C2 ZINC001257808997 1044190702 /nfs/dbraw/zinc/19/07/02/1044190702.db2.gz YNTFJPLLUGHQGN-AUUYWEPGSA-N 1 0 376.526 3.674 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CCC[C@]4(C3)COCCN(c3ncccn3)C4)C[C@H](C1)C2 ZINC001257893656 1044248792 /nfs/dbraw/zinc/24/87/92/1044248792.db2.gz WVLAJKJMIQCRET-MXHMCPQYSA-N 1 0 382.552 3.530 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3COc4ccc(Cl)cc4C3)C2)C1 ZINC001257956541 1044272441 /nfs/dbraw/zinc/27/24/41/1044272441.db2.gz HQNXTAGXEGBVRC-NQIIRXRSSA-N 1 0 390.911 3.754 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@@H]2C)C1 ZINC001294461041 1044646364 /nfs/dbraw/zinc/64/63/64/1044646364.db2.gz PYOXHYFAWHKZOF-HFSMHLIXSA-N 1 0 392.551 3.641 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@H](C)Cc3cccnc3)c3ccccc32)cc1 ZINC001258620342 1044671881 /nfs/dbraw/zinc/67/18/81/1044671881.db2.gz IWCBOZOESQYSNI-QGZVFWFLSA-N 1 0 399.498 3.825 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCCn2nnc(Cn3cnnc3)c2C1 ZINC001258714039 1044731696 /nfs/dbraw/zinc/73/16/96/1044731696.db2.gz GNPAHBLDXDYRFP-LJQANCHMSA-N 1 0 387.576 3.899 20 30 GHEDRO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001258714155 1044732742 /nfs/dbraw/zinc/73/27/42/1044732742.db2.gz KEWGTJNQZRLDDE-FGZHOGPDSA-N 1 0 382.589 3.711 20 30 GHEDRO C=CCC[C@H](C)[NH2+]CCc1cc(OC)c(I)cc1OC ZINC001258718375 1044733248 /nfs/dbraw/zinc/73/32/48/1044733248.db2.gz MSGIDEVKGFMNAO-LBPRGKRZSA-N 1 0 389.277 3.795 20 30 GHEDRO C=CCC[C@H](C)[NH2+]CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1 ZINC001258725723 1044733786 /nfs/dbraw/zinc/73/37/86/1044733786.db2.gz NMCBXZHDXMSFEA-UWJYYQICSA-N 1 0 379.504 3.714 20 30 GHEDRO C=CCC[C@@H](C)[NH+](CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C ZINC001258734547 1044735212 /nfs/dbraw/zinc/73/52/12/1044735212.db2.gz FNFCHMUGXBTEMI-MRXNPFEDSA-N 1 0 385.549 3.693 20 30 GHEDRO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001295431481 1045008514 /nfs/dbraw/zinc/00/85/14/1045008514.db2.gz BTEYZXKKMUWQTF-HXUWFJFHSA-N 1 0 380.540 3.783 20 30 GHEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1CC[NH+](CC)CC1)C1CC1 ZINC001296021799 1045222878 /nfs/dbraw/zinc/22/28/78/1045222878.db2.gz MCXDNLLLGZFQSY-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC001296257266 1045290304 /nfs/dbraw/zinc/29/03/04/1045290304.db2.gz JTSGMDHMQJTTAL-LJQANCHMSA-N 1 0 391.515 3.527 20 30 GHEDRO COc1ncc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1C#N ZINC001462905893 1070647247 /nfs/dbraw/zinc/64/72/47/1070647247.db2.gz FECVSKAJZPMKSK-UHFFFAOYSA-N 1 0 386.455 3.846 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC001462987457 1070710234 /nfs/dbraw/zinc/71/02/34/1070710234.db2.gz AVDGAYWNEMIKGV-UHFFFAOYSA-N 1 0 397.544 3.577 20 30 GHEDRO COc1ccc2c(c1F)C/C(=C/c1ccc(N3CCN(C)CC3)c(F)c1)C2=O ZINC001261147720 1045909302 /nfs/dbraw/zinc/90/93/02/1045909302.db2.gz GKJXEYBWLZJUQQ-PTNGSMBKSA-N 1 0 384.426 3.548 20 30 GHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001298876547 1045973990 /nfs/dbraw/zinc/97/39/90/1045973990.db2.gz XCEVEMUSNWNAED-SFHVURJKSA-N 1 0 379.504 3.987 20 30 GHEDRO N#Cc1cccc(C2(NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CCOCC2)c1 ZINC001300989177 1046277910 /nfs/dbraw/zinc/27/79/10/1046277910.db2.gz IMLSFNNVRVNLJJ-UHFFFAOYSA-N 1 0 398.466 3.554 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301044528 1046306006 /nfs/dbraw/zinc/30/60/06/1046306006.db2.gz JKLHZJBQJMICPI-PKOBYXMFSA-N 1 0 385.943 3.603 20 30 GHEDRO C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001301085981 1046329634 /nfs/dbraw/zinc/32/96/34/1046329634.db2.gz RRJMGTKMHOUJNF-UXHICEINSA-N 1 0 387.572 3.941 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001301087899 1046332826 /nfs/dbraw/zinc/33/28/26/1046332826.db2.gz XLQCNOOGUGGQFG-HXUWFJFHSA-N 1 0 394.567 3.542 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001301120105 1046357596 /nfs/dbraw/zinc/35/75/96/1046357596.db2.gz HOZPOFWEQPBJME-LJQANCHMSA-N 1 0 380.540 3.535 20 30 GHEDRO C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001301146238 1046371845 /nfs/dbraw/zinc/37/18/45/1046371845.db2.gz XIRBBQUXBLWUGL-IBGZPJMESA-N 1 0 396.583 3.951 20 30 GHEDRO C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301221968 1046412233 /nfs/dbraw/zinc/41/22/33/1046412233.db2.gz QWMDSVXPEYDZOW-LJQANCHMSA-N 1 0 387.572 3.593 20 30 GHEDRO C=CCn1c(-c2scnc2C2CC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262939222 1046437082 /nfs/dbraw/zinc/43/70/82/1046437082.db2.gz ZGPZXJUHYJNFHY-UHFFFAOYSA-N 1 0 398.580 3.920 20 30 GHEDRO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001262939487 1046437413 /nfs/dbraw/zinc/43/74/13/1046437413.db2.gz HRKLPFWXCPYUAE-DLBZAZTESA-N 1 0 379.499 3.679 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001301273317 1046444763 /nfs/dbraw/zinc/44/47/63/1046444763.db2.gz QJEAMHWPUNXAHR-UXHICEINSA-N 1 0 397.567 3.999 20 30 GHEDRO C=CCn1c(C[C@@H](C)SC)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001262965868 1046455098 /nfs/dbraw/zinc/45/50/98/1046455098.db2.gz XYRYAWYKHLHAKT-QGZVFWFLSA-N 1 0 377.602 3.603 20 30 GHEDRO C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCC[N@H+]1CC ZINC001301308232 1046470507 /nfs/dbraw/zinc/47/05/07/1046470507.db2.gz BKPKVBATWQZUDO-IBGZPJMESA-N 1 0 383.540 3.526 20 30 GHEDRO C=CCn1c(-c2csc(C)n2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001262986266 1046471118 /nfs/dbraw/zinc/47/11/18/1046471118.db2.gz QOYMVSJLAREHHK-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001301311006 1046473533 /nfs/dbraw/zinc/47/35/33/1046473533.db2.gz XBZKEZUAJCQCLY-GUDVDZBRSA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCN(c1nnc(-c2ccc[nH]2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC001301323129 1046485622 /nfs/dbraw/zinc/48/56/22/1046485622.db2.gz DQNKDIKJNLURCJ-QZTJIDSGSA-N 1 0 382.556 3.796 20 30 GHEDRO CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001263033343 1046521191 /nfs/dbraw/zinc/52/11/91/1046521191.db2.gz MIENRXLHJZNCEH-DLBZAZTESA-N 1 0 382.512 3.520 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301393579 1046523201 /nfs/dbraw/zinc/52/32/01/1046523201.db2.gz AZSIZCMRGUVDBS-UHFFFAOYSA-N 1 0 394.567 3.564 20 30 GHEDRO C=CCN(CCOC)c1nnc(C(C)C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001301417005 1046534286 /nfs/dbraw/zinc/53/42/86/1046534286.db2.gz LTYNJCRARXKFDT-GHTZIAJQSA-N 1 0 377.577 3.551 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1ccccc1 ZINC001263132291 1046577210 /nfs/dbraw/zinc/57/72/10/1046577210.db2.gz OWJPTKQPVSGBTC-FPOVZHCZSA-N 1 0 392.551 3.798 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001301555334 1046595613 /nfs/dbraw/zinc/59/56/13/1046595613.db2.gz VJBPGAIESJZNMK-WOJBJXKFSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263306266 1046704414 /nfs/dbraw/zinc/70/44/14/1046704414.db2.gz SVHXDJHLQAPSSZ-QRVBRYPASA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001263331727 1046718121 /nfs/dbraw/zinc/71/81/21/1046718121.db2.gz XFJGNIMYECLABW-GOSISDBHSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)C2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001263349581 1046733291 /nfs/dbraw/zinc/73/32/91/1046733291.db2.gz UWCUZQVZWJEJLS-FQEVSTJZSA-N 1 0 387.572 3.533 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001301968459 1046767389 /nfs/dbraw/zinc/76/73/89/1046767389.db2.gz MQDLQGLJKWJBTR-MOPGFXCFSA-N 1 0 396.583 3.983 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 ZINC001302294859 1046902912 /nfs/dbraw/zinc/90/29/12/1046902912.db2.gz CRLKJJVSATVINP-UHFFFAOYSA-N 1 0 387.505 3.543 20 30 GHEDRO CC(C)(Cn1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCC1 ZINC001302349275 1046916902 /nfs/dbraw/zinc/91/69/02/1046916902.db2.gz CWOPZCPCEMERBW-UHFFFAOYSA-N 1 0 384.572 3.798 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001302886613 1047167901 /nfs/dbraw/zinc/16/79/01/1047167901.db2.gz MELIULOVXQQMQC-NRFANRHFSA-N 1 0 394.567 3.910 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC1CC1)C[NH+]1CCCC1 ZINC001303745791 1047502525 /nfs/dbraw/zinc/50/25/25/1047502525.db2.gz JCTPOMAIMDNBPR-GOSISDBHSA-N 1 0 392.551 3.785 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)C[NH+]2CCCC2)o1 ZINC001304294888 1047636793 /nfs/dbraw/zinc/63/67/93/1047636793.db2.gz VURBMYMHWNBXHW-INIZCTEOSA-N 1 0 384.528 3.707 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCC[N@@H+]2C2CC2)o1 ZINC001304294610 1047636885 /nfs/dbraw/zinc/63/68/85/1047636885.db2.gz SEUIKZPQCYQJOL-CRAIPNDOSA-N 1 0 382.512 3.602 20 30 GHEDRO C=CCCCCCC[NH+]1CCC2(CN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001279269622 1047752704 /nfs/dbraw/zinc/75/27/04/1047752704.db2.gz HEWYWCOBFSWZGH-UHFFFAOYSA-N 1 0 378.948 3.597 20 30 GHEDRO C=CCCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccsc1 ZINC001279271057 1047752945 /nfs/dbraw/zinc/75/29/45/1047752945.db2.gz MPRDNMWDXJRUAC-UXHICEINSA-N 1 0 376.566 3.729 20 30 GHEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1)[NH+](C)C ZINC001304975395 1047828049 /nfs/dbraw/zinc/82/80/49/1047828049.db2.gz HGSIYKADELSXLV-OHTSDLOESA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001305031889 1047844106 /nfs/dbraw/zinc/84/41/06/1047844106.db2.gz FKTKRRLEWQUGTF-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCn2c(-c3ccccc3)nnc2N(CCC#N)CC2CC2)C1 ZINC001305047752 1047855727 /nfs/dbraw/zinc/85/57/27/1047855727.db2.gz CTMKYTXMBVYZKY-LJQANCHMSA-N 1 0 392.551 3.807 20 30 GHEDRO C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCCCC1 ZINC001305055463 1047863515 /nfs/dbraw/zinc/86/35/15/1047863515.db2.gz YKZJYVXDKWYABM-SFHVURJKSA-N 1 0 378.524 3.681 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001279870719 1047974484 /nfs/dbraw/zinc/97/44/84/1047974484.db2.gz LDAYFYAFXBJSHR-CEXWTWQISA-N 1 0 382.614 3.790 20 30 GHEDRO C=CCCCNC(=S)N1CCC[C@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001279937233 1047994734 /nfs/dbraw/zinc/99/47/34/1047994734.db2.gz VTGBNFDANRKLIZ-LJQANCHMSA-N 1 0 378.611 3.580 20 30 GHEDRO CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305419471 1048040371 /nfs/dbraw/zinc/04/03/71/1048040371.db2.gz OJGQOTIARRFNIM-PXNSSMCTSA-N 1 0 380.540 3.834 20 30 GHEDRO CC(C)=CCC[C@@H](C)C[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CC(CC#N)C1 ZINC001280246821 1048145323 /nfs/dbraw/zinc/14/53/23/1048145323.db2.gz CNSAGIPDQLYEMF-IEBWSBKVSA-N 1 0 375.582 3.548 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286283970 1048253364 /nfs/dbraw/zinc/25/33/64/1048253364.db2.gz WCXQGXUMWRJURQ-IRXDYDNUSA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286295667 1048260016 /nfs/dbraw/zinc/26/00/16/1048260016.db2.gz KELPGNCAEGKPEP-IBGZPJMESA-N 1 0 393.579 3.773 20 30 GHEDRO CCc1ccc([C@H](Cn2c(CC3CC3)nnc2N(C)C[C@H](C)C#N)[NH+](C)C)cc1 ZINC001305916159 1048308669 /nfs/dbraw/zinc/30/86/69/1048308669.db2.gz CJLZCCWYSTZVFY-UTKZUKDTSA-N 1 0 394.567 3.692 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001286437243 1048320671 /nfs/dbraw/zinc/32/06/71/1048320671.db2.gz JCRTWNAUOKGJEM-OAQYLSRUSA-N 1 0 391.563 3.692 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[NH+]1CCCC1 ZINC001286441108 1048323048 /nfs/dbraw/zinc/32/30/48/1048323048.db2.gz QFFPXIQOODHTTI-UHFFFAOYSA-N 1 0 392.334 3.807 20 30 GHEDRO C#CCN(CC)c1nnc(CC(C)C)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001286448027 1048328387 /nfs/dbraw/zinc/32/83/87/1048328387.db2.gz ZCCNHZFKPPZHAT-GOSISDBHSA-N 1 0 385.581 3.835 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC[N@@H+](C)[C@H](C)CC ZINC001286520534 1048347417 /nfs/dbraw/zinc/34/74/17/1048347417.db2.gz NWLRNPUYTPCXOK-WZONZLPQSA-N 1 0 395.551 3.676 20 30 GHEDRO C=C(Br)Cn1c(C2CCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001286537389 1048355537 /nfs/dbraw/zinc/35/55/37/1048355537.db2.gz AMTSXIFCCUBMBX-UHFFFAOYSA-N 1 0 396.377 3.765 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286579295 1048373305 /nfs/dbraw/zinc/37/33/05/1048373305.db2.gz NVZBQYMKASDBHZ-RBUKOAKNSA-N 1 0 375.561 3.654 20 30 GHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286596103 1048382106 /nfs/dbraw/zinc/38/21/06/1048382106.db2.gz VDJUECLMYAWILE-FQEVSTJZSA-N 1 0 393.579 3.950 20 30 GHEDRO C=C(Cn1c(CC(C)C)nnc1N1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001286618289 1048390346 /nfs/dbraw/zinc/39/03/46/1048390346.db2.gz YMFAUFFUSHXIRE-UHFFFAOYSA-N 1 0 379.552 3.722 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001286639649 1048406758 /nfs/dbraw/zinc/40/67/58/1048406758.db2.gz BXABKENGIQIUJA-UHFFFAOYSA-N 1 0 398.511 3.740 20 30 GHEDRO C=CC1CCN(c2nnc(COCC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001286665791 1048432013 /nfs/dbraw/zinc/43/20/13/1048432013.db2.gz OUCXZLYCRDTIAJ-FQEVSTJZSA-N 1 0 389.588 3.585 20 30 GHEDRO C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001286683811 1048445084 /nfs/dbraw/zinc/44/50/84/1048445084.db2.gz BJVOMFADFSNHQR-ICSRJNTNSA-N 1 0 395.551 3.983 20 30 GHEDRO C=CCCCCn1c(CC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001286689215 1048450122 /nfs/dbraw/zinc/45/01/22/1048450122.db2.gz YVAUUUFBSRAGFY-IBGZPJMESA-N 1 0 389.588 3.522 20 30 GHEDRO C=CCCCCn1c(COCC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286691725 1048452880 /nfs/dbraw/zinc/45/28/80/1048452880.db2.gz PAHVLRGMCILVHR-UHFFFAOYSA-N 1 0 389.588 3.872 20 30 GHEDRO C=CCCCn1c(-c2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286697086 1048457471 /nfs/dbraw/zinc/45/74/71/1048457471.db2.gz AWBMNYZMVHAUBZ-UHFFFAOYSA-N 1 0 382.556 3.865 20 30 GHEDRO C=CCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001286699360 1048459930 /nfs/dbraw/zinc/45/99/30/1048459930.db2.gz RLVAPLCTJKYWSM-RBUKOAKNSA-N 1 0 375.561 3.654 20 30 GHEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001286719949 1048476087 /nfs/dbraw/zinc/47/60/87/1048476087.db2.gz OCOUPTYAJBRQNJ-MRXNPFEDSA-N 1 0 388.947 3.736 20 30 GHEDRO C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286729019 1048485572 /nfs/dbraw/zinc/48/55/72/1048485572.db2.gz KKKHMQBFFZQTKD-IBGZPJMESA-N 1 0 395.507 3.684 20 30 GHEDRO C=CCSCCn1c(-c2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286828727 1048537567 /nfs/dbraw/zinc/53/75/67/1048537567.db2.gz AWXMDNKHNDDAKL-HKUYNNGSSA-N 1 0 383.565 3.537 20 30 GHEDRO CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001287104556 1048598864 /nfs/dbraw/zinc/59/88/64/1048598864.db2.gz MMWSBISZRUMCEI-NQIIRXRSSA-N 1 0 390.535 3.846 20 30 GHEDRO CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001306366199 1048603267 /nfs/dbraw/zinc/60/32/67/1048603267.db2.gz DIXSFEVXIXLACO-DLBZAZTESA-N 1 0 378.524 3.536 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CC)C1 ZINC001306366523 1048604019 /nfs/dbraw/zinc/60/40/19/1048604019.db2.gz HKCYPYPTVNVILA-ZWKOTPCHSA-N 1 0 380.540 3.783 20 30 GHEDRO CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306469834 1048684813 /nfs/dbraw/zinc/68/48/13/1048684813.db2.gz CFJGRHDMXWWWBG-AATRIKPKSA-N 1 0 378.524 3.750 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001287407583 1048761561 /nfs/dbraw/zinc/76/15/61/1048761561.db2.gz PCIKRSCTLRSCEX-IBGZPJMESA-N 1 0 386.588 3.727 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)C#N ZINC001306683343 1048810515 /nfs/dbraw/zinc/81/05/15/1048810515.db2.gz RXORRLABTCQUJA-INIZCTEOSA-N 1 0 388.947 3.926 20 30 GHEDRO Cc1cc(C#N)nc(NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)n1 ZINC001306984996 1048992195 /nfs/dbraw/zinc/99/21/95/1048992195.db2.gz WXERMSBXQHWYFC-UHFFFAOYSA-N 1 0 379.508 3.912 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1cc(C#N)c(Br)cn1 ZINC001306993155 1048996220 /nfs/dbraw/zinc/99/62/20/1048996220.db2.gz AHELSQYSNJIRCD-UHFFFAOYSA-N 1 0 395.251 3.562 20 30 GHEDRO C[N@@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC12CCCCC2 ZINC001307124467 1049090288 /nfs/dbraw/zinc/09/02/88/1049090288.db2.gz OMPGNCISGBOQAC-UHFFFAOYSA-N 1 0 377.536 3.939 20 30 GHEDRO C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC1)[NH+]1CCCCC1 ZINC001288561656 1049139389 /nfs/dbraw/zinc/13/93/89/1049139389.db2.gz OGWFPVYNDTVURX-KRWDZBQOSA-N 1 0 378.524 3.680 20 30 GHEDRO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC001307413870 1049256103 /nfs/dbraw/zinc/25/61/03/1049256103.db2.gz BJBYXRCIWDHBTC-LBXVMSDZSA-N 1 0 389.927 3.502 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001307666577 1049489692 /nfs/dbraw/zinc/48/96/92/1049489692.db2.gz FJTRRLIXJDSEOQ-KRWDZBQOSA-N 1 0 398.425 3.830 20 30 GHEDRO N#Cc1cccc([C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC001307730831 1049544888 /nfs/dbraw/zinc/54/48/88/1049544888.db2.gz YSGXHAQRDCRVOY-LJQANCHMSA-N 1 0 390.405 3.906 20 30 GHEDRO CC(C)c1ccc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC001307790350 1049594003 /nfs/dbraw/zinc/59/40/03/1049594003.db2.gz ZBWKIVIDKMAYKA-UHFFFAOYSA-N 1 0 390.531 3.828 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cc1 ZINC001307854685 1049636910 /nfs/dbraw/zinc/63/69/10/1049636910.db2.gz WGIJCYWEMAZYJD-ZOBUZTSGSA-N 1 0 394.519 3.889 20 30 GHEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001307937348 1049709710 /nfs/dbraw/zinc/70/97/10/1049709710.db2.gz BJOCYFXMVTXNRE-SFHVURJKSA-N 1 0 396.453 3.512 20 30 GHEDRO C[C@]12CN(Cc3c(C#N)cccc3[N+](=O)[O-])C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001308008623 1049757449 /nfs/dbraw/zinc/75/74/49/1049757449.db2.gz MGCRLUWAEDCIBC-ZRZAMGCNSA-N 1 0 390.487 3.810 20 30 GHEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@](C)(O)c1ccc(Br)cc1F ZINC001308015250 1049765044 /nfs/dbraw/zinc/76/50/44/1049765044.db2.gz CCSWHTWLUGSBKK-IBGZPJMESA-N 1 0 391.284 3.842 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c(C)cc(C#N)cc1C)Cc1ccccc1 ZINC001290411569 1049831226 /nfs/dbraw/zinc/83/12/26/1049831226.db2.gz AVOHMKDWAKPIPA-JOCHJYFZSA-N 1 0 377.532 3.787 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(c3cc(C)cc(C)c3)CC2)c1 ZINC001308136672 1049877110 /nfs/dbraw/zinc/87/71/10/1049877110.db2.gz PIMRPOAEOBLDMW-UHFFFAOYSA-N 1 0 389.499 3.812 20 30 GHEDRO C[N@@H+]1C[C@@]23CN(CC#Cc4ccc(OC(F)(F)F)cc4)C[C@]2(C1)CCCC3 ZINC001308170745 1049898570 /nfs/dbraw/zinc/89/85/70/1049898570.db2.gz NBEGXMLEVKQMTI-BGYRXZFFSA-N 1 0 378.438 3.745 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+]C[C@H](O)c3ccc(C#N)cc3)C(C)(C)[C@H]21 ZINC001308170543 1049899122 /nfs/dbraw/zinc/89/91/22/1049899122.db2.gz HSLPKYSOJRTQNS-FYQPLNBISA-N 1 0 399.535 3.605 20 30 GHEDRO COc1cc(C[NH2+]CCNc2ccc(C#N)cn2)ccc1OCc1ccccc1 ZINC001308192368 1049906984 /nfs/dbraw/zinc/90/69/84/1049906984.db2.gz DJMYBZKSWBRHMY-UHFFFAOYSA-N 1 0 388.471 3.743 20 30 GHEDRO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001290721523 1049908705 /nfs/dbraw/zinc/90/87/05/1049908705.db2.gz XBVMOJCRODMPHH-FQEVSTJZSA-N 1 0 390.491 3.525 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cc(OC)c1O ZINC001308335600 1049951523 /nfs/dbraw/zinc/95/15/23/1049951523.db2.gz NFIVGAHYWIFLFV-MRXNPFEDSA-N 1 0 389.521 3.729 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1OC1CC1 ZINC001308483048 1049986432 /nfs/dbraw/zinc/98/64/32/1049986432.db2.gz CTYPHKWBCBQBKV-UHFFFAOYSA-N 1 0 377.488 3.867 20 30 GHEDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001308528783 1049999766 /nfs/dbraw/zinc/99/97/66/1049999766.db2.gz YDNBZSFDOYQWKR-SCOBNMCVSA-N 1 0 375.284 3.778 20 30 GHEDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001308528780 1049999851 /nfs/dbraw/zinc/99/98/51/1049999851.db2.gz YDNBZSFDOYQWKR-DHCBQETCSA-N 1 0 375.284 3.778 20 30 GHEDRO CN1CCN(c2ccc(C[NH2+]C(C)(C)Cc3ccc(C#N)cc3)cc2F)CC1 ZINC001308530325 1050000503 /nfs/dbraw/zinc/00/05/03/1050000503.db2.gz VQIDVDRGNRPMNC-UHFFFAOYSA-N 1 0 380.511 3.560 20 30 GHEDRO C=CCCn1cc(C[NH2+]CCc2cc(Br)ccc2SC)nn1 ZINC001308535518 1050001554 /nfs/dbraw/zinc/00/15/54/1050001554.db2.gz HNOVRPIRLAOQEU-UHFFFAOYSA-N 1 0 381.343 3.671 20 30 GHEDRO CC1(C)OCc2cc(C[NH2+]C3CCN(c4ccccc4C#N)CC3)ccc2O1 ZINC001308892170 1050142870 /nfs/dbraw/zinc/14/28/70/1050142870.db2.gz YJRFYAYUDXTTDI-UHFFFAOYSA-N 1 0 377.488 3.962 20 30 GHEDRO CN1CCC(=NNCC2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC001330142772 1050965438 /nfs/dbraw/zinc/96/54/38/1050965438.db2.gz MOQGPMHCUSCHTP-SFHVURJKSA-N 1 0 380.330 3.588 20 30 GHEDRO CCOc1cccc(/C=C\C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001331078047 1051186204 /nfs/dbraw/zinc/18/62/04/1051186204.db2.gz MIJYKVDMEFZVAR-QXMHVHEDSA-N 1 0 389.499 3.773 20 30 GHEDRO CSc1ccc(CNC(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1C#N ZINC001331259809 1051229678 /nfs/dbraw/zinc/22/96/78/1051229678.db2.gz ISGJUEFHPQWIAQ-UHFFFAOYSA-N 1 0 386.521 3.537 20 30 GHEDRO C=CCCc1ccccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001310624833 1051493711 /nfs/dbraw/zinc/49/37/11/1051493711.db2.gz PZAHBRZSMWVNSP-UHFFFAOYSA-N 1 0 378.520 3.879 20 30 GHEDRO N#Cc1sc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)nc1Cl ZINC001310857422 1051655681 /nfs/dbraw/zinc/65/56/81/1051655681.db2.gz CGENRHJLLRXFNN-CYBMUJFWSA-N 1 0 375.885 3.627 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@@H]1C(F)(F)F ZINC001333724828 1051820800 /nfs/dbraw/zinc/82/08/00/1051820800.db2.gz SZLJEOZBVBXDIN-UAGQMJEPSA-N 1 0 384.398 3.589 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2ccnc(C#N)c2)C1 ZINC001311070583 1051824582 /nfs/dbraw/zinc/82/45/82/1051824582.db2.gz RMWAPNJFNLIMKB-IAGOWNOFSA-N 1 0 377.492 3.753 20 30 GHEDRO C[NH+](C)CC[C@@H](NC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1cccnc1 ZINC001333868011 1051856492 /nfs/dbraw/zinc/85/64/92/1051856492.db2.gz UMTFAUKBYQOCOH-JOCHJYFZSA-N 1 0 391.519 3.535 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001311369036 1052065655 /nfs/dbraw/zinc/06/56/55/1052065655.db2.gz BZRLHDCJMBEXPY-QYZOEREBSA-N 1 0 377.916 3.510 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC#C[C@H]1CCCCO1)c1ccccc1Cl ZINC001311568599 1052251489 /nfs/dbraw/zinc/25/14/89/1052251489.db2.gz SBJLHVQZIKRLLF-YLJYHZDGSA-N 1 0 391.943 3.595 20 30 GHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311583585 1052263927 /nfs/dbraw/zinc/26/39/27/1052263927.db2.gz KVSQOSGVSYLHKI-HXUWFJFHSA-N 1 0 387.593 3.835 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC001311666105 1052314337 /nfs/dbraw/zinc/31/43/37/1052314337.db2.gz NPAXUPRXEROSPE-VLCRHTCISA-N 1 0 385.552 3.841 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC001311890602 1052460606 /nfs/dbraw/zinc/46/06/06/1052460606.db2.gz DJCJHGFHDITYAH-SFHVURJKSA-N 1 0 395.588 3.720 20 30 GHEDRO N#CCC[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC001312339716 1052702983 /nfs/dbraw/zinc/70/29/83/1052702983.db2.gz ZMUFKTXSMVGEEN-VJBWXMMDSA-N 1 0 388.515 3.947 20 30 GHEDRO Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001313166286 1052974389 /nfs/dbraw/zinc/97/43/89/1052974389.db2.gz ANMOCYJMQGQAAI-JOCHJYFZSA-N 1 0 376.504 3.721 20 30 GHEDRO C=CCn1c(CCCCC#N)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001342336221 1053114393 /nfs/dbraw/zinc/11/43/93/1053114393.db2.gz YVYSGHTVXKSPRK-PMACEKPBSA-N 1 0 384.572 3.791 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001342354597 1053124821 /nfs/dbraw/zinc/12/48/21/1053124821.db2.gz HSCMBFPCTKHIMP-FQEVSTJZSA-N 1 0 395.551 3.753 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001342372205 1053134597 /nfs/dbraw/zinc/13/45/97/1053134597.db2.gz IIXNQBRDCDSYRW-MRXNPFEDSA-N 1 0 395.642 3.891 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H]1C ZINC001313657088 1053157336 /nfs/dbraw/zinc/15/73/36/1053157336.db2.gz JAWRNHZKRDQVGI-RCCFBDPRSA-N 1 0 380.540 3.782 20 30 GHEDRO [NH3+][C@H](C(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC001342433375 1053166822 /nfs/dbraw/zinc/16/68/22/1053166822.db2.gz ZPCNCGGIBCKOQQ-WCQYABFASA-N 1 0 384.295 3.598 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC1CC1)C1CCC1 ZINC001342464491 1053183869 /nfs/dbraw/zinc/18/38/69/1053183869.db2.gz UTBHVJVMHLOYMJ-OAQYLSRUSA-N 1 0 399.583 3.939 20 30 GHEDRO CC[NH+](CC)CCCn1c(CC2CCCC2)nnc1N1CCC(C)(C#N)CC1 ZINC001313715645 1053187057 /nfs/dbraw/zinc/18/70/57/1053187057.db2.gz GUUUWJUZJYEKRE-UHFFFAOYSA-N 1 0 386.588 3.873 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2CC)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001342510011 1053207802 /nfs/dbraw/zinc/20/78/02/1053207802.db2.gz GKDWZLZMQACRTQ-INIZCTEOSA-N 1 0 388.585 3.708 20 30 GHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001313908866 1053285269 /nfs/dbraw/zinc/28/52/69/1053285269.db2.gz POGYIHKQRLYVQV-PGRDOPGGSA-N 1 0 396.514 3.570 20 30 GHEDRO C=C(C)Cn1c(COC2CCCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342684965 1053298775 /nfs/dbraw/zinc/29/87/75/1053298775.db2.gz IWCHBXDQMMDGEH-UHFFFAOYSA-N 1 0 375.561 3.670 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342879528 1053404556 /nfs/dbraw/zinc/40/45/56/1053404556.db2.gz DCVKFNXPFZLSBL-KRWDZBQOSA-N 1 0 377.602 3.603 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2CC(C)C)CC1 ZINC001342888471 1053411418 /nfs/dbraw/zinc/41/14/18/1053411418.db2.gz CXYCTJNVSNNHAR-RTBURBONSA-N 1 0 384.572 3.796 20 30 GHEDRO CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001343003186 1053491284 /nfs/dbraw/zinc/49/12/84/1053491284.db2.gz XOPRQPRAZWGQNT-CSODHUTKSA-N 1 0 384.503 3.526 20 30 GHEDRO C=C(C)Cn1c([C@@H]2[C@H]3CCCO[C@H]32)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001343022656 1053503210 /nfs/dbraw/zinc/50/32/10/1053503210.db2.gz OQYNXUMIVRNUJL-VAMGGRTRSA-N 1 0 399.583 3.591 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)[C@@H](C)O)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001343072409 1053533596 /nfs/dbraw/zinc/53/35/96/1053533596.db2.gz QNOMAVGQXCLZIE-RTBURBONSA-N 1 0 389.588 3.573 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CC[C@](C)(CC)C1 ZINC001343233771 1053638888 /nfs/dbraw/zinc/63/88/88/1053638888.db2.gz ONQKDUAHWGYVMQ-KNQAVFIVSA-N 1 0 387.572 3.797 20 30 GHEDRO C#CCC(C)(C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cccs1 ZINC001343643361 1053942753 /nfs/dbraw/zinc/94/27/53/1053942753.db2.gz HAFCUIWUCBAMTM-UHFFFAOYSA-N 1 0 385.581 3.656 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001343716814 1053983705 /nfs/dbraw/zinc/98/37/05/1053983705.db2.gz KYIPSXKVQPWGMR-PMACEKPBSA-N 1 0 382.556 3.574 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001343787905 1054028581 /nfs/dbraw/zinc/02/85/81/1054028581.db2.gz VGEGKUFIKLRLOE-VAMGGRTRSA-N 1 0 387.572 3.591 20 30 GHEDRO COc1ccc(Cl)cc1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC001344056604 1054216734 /nfs/dbraw/zinc/21/67/34/1054216734.db2.gz NGWVJZLUXDBAER-UHFFFAOYSA-N 1 0 395.894 3.853 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC001318346738 1054580237 /nfs/dbraw/zinc/58/02/37/1054580237.db2.gz NMVRGJFSAZVTGW-UHFFFAOYSA-N 1 0 376.435 3.873 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001318498727 1054679295 /nfs/dbraw/zinc/67/92/95/1054679295.db2.gz MRPAOEQRPPTLRI-RTWAWAEBSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)CC1 ZINC001318623663 1054757137 /nfs/dbraw/zinc/75/71/37/1054757137.db2.gz PUMIPYNZPCDEBQ-UHFFFAOYSA-N 1 0 392.475 3.945 20 30 GHEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001318771847 1054862717 /nfs/dbraw/zinc/86/27/17/1054862717.db2.gz RTHOHRRFSSQBNC-OALUTQOASA-N 1 0 382.533 3.959 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC001318885676 1054934644 /nfs/dbraw/zinc/93/46/44/1054934644.db2.gz AFUBHTDRLOEYDM-NQIIRXRSSA-N 1 0 399.560 3.796 20 30 GHEDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC001318885679 1054934785 /nfs/dbraw/zinc/93/47/85/1054934785.db2.gz AFUBHTDRLOEYDM-RXVVDRJESA-N 1 0 399.560 3.796 20 30 GHEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(CC#N)cc2)c2ccccc2)CC1 ZINC001318893638 1054939424 /nfs/dbraw/zinc/93/94/24/1054939424.db2.gz MVBVQGRDZJOJMT-QFIPXVFZSA-N 1 0 397.544 3.504 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)cc1 ZINC001319145360 1055058885 /nfs/dbraw/zinc/05/88/85/1055058885.db2.gz IBBDJBOAMNFKMK-UHFFFAOYSA-N 1 0 396.466 3.776 20 30 GHEDRO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC001319840223 1055500017 /nfs/dbraw/zinc/50/00/17/1055500017.db2.gz WKACECOWTBEOCL-LJQANCHMSA-N 1 0 391.515 3.875 20 30 GHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C#N)cc1)C(=S)NCCSC ZINC001320221575 1055713013 /nfs/dbraw/zinc/71/30/13/1055713013.db2.gz QUPSAHLSHGDBPR-UHFFFAOYSA-O 1 0 384.550 3.572 20 30 GHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)CC2)cc1 ZINC001320951068 1056031410 /nfs/dbraw/zinc/03/14/10/1056031410.db2.gz BOMVTSRYRRAGCN-HSZRJFAPSA-N 1 0 388.515 3.772 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C)o2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300444198 1056108899 /nfs/dbraw/zinc/10/88/99/1056108899.db2.gz UTVIYXFVJRISJQ-HDICACEKSA-N 1 0 383.540 3.674 20 30 GHEDRO C#CCN(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001300470305 1056207777 /nfs/dbraw/zinc/20/77/77/1056207777.db2.gz KYJULDZHNFFAEC-QFIPXVFZSA-N 1 0 391.563 3.917 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC[N@@H+](C)[C@@H](C)CC ZINC001300634162 1056736236 /nfs/dbraw/zinc/73/62/36/1056736236.db2.gz WBRARXCHXHLJDK-SFHVURJKSA-N 1 0 392.551 3.540 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001323567180 1056986749 /nfs/dbraw/zinc/98/67/49/1056986749.db2.gz NHAJHWXYHSJQBY-LAUBAEHRSA-N 1 0 378.476 3.621 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C[C@@H](c3ccccc3)Oc3ccccc31)C2 ZINC001355146231 1057062732 /nfs/dbraw/zinc/06/27/32/1057062732.db2.gz GNJLJYGBERGRNL-AQKWNKCOSA-N 1 0 387.483 3.507 20 30 GHEDRO CSc1ccc([C@@H](CNC(=O)Nc2ccc(OCC#N)cc2)[NH+](C)C)cc1 ZINC001324579643 1057169564 /nfs/dbraw/zinc/16/95/64/1057169564.db2.gz AJEWTAHYHRIFRT-LJQANCHMSA-N 1 0 384.505 3.735 20 30 GHEDRO C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001355968475 1057336613 /nfs/dbraw/zinc/33/66/13/1057336613.db2.gz VONPNNGZWXUSEC-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC001325739295 1057357086 /nfs/dbraw/zinc/35/70/86/1057357086.db2.gz VFFAANRTTBAGJY-HNNXBMFYSA-N 1 0 376.298 3.629 20 30 GHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC001325739298 1057357105 /nfs/dbraw/zinc/35/71/05/1057357105.db2.gz VFFAANRTTBAGJY-OAHLLOKOSA-N 1 0 376.298 3.629 20 30 GHEDRO C=C(C)COCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001356039341 1057365810 /nfs/dbraw/zinc/36/58/10/1057365810.db2.gz CSFGKSFZKKXLMR-BJKOFHAPSA-N 1 0 392.543 3.920 20 30 GHEDRO CN(c1ccc(NCCC(=O)Nc2cccc(C#N)c2)cc1)C1CC[NH+](C)CC1 ZINC001325890880 1057381141 /nfs/dbraw/zinc/38/11/41/1057381141.db2.gz KMAYJRFLTMSXDL-UHFFFAOYSA-N 1 0 391.519 3.529 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001356228997 1057439607 /nfs/dbraw/zinc/43/96/07/1057439607.db2.gz WUPXHPFDPXPFJK-MRXNPFEDSA-N 1 0 399.587 3.657 20 30 GHEDRO C=C(C)Cn1c(-c2c[nH]c3ncccc23)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001356340385 1057483003 /nfs/dbraw/zinc/48/30/03/1057483003.db2.gz FWXQCSZEALAEMP-KRWDZBQOSA-N 1 0 393.539 3.566 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@@H]1CCCC(F)(F)C1 ZINC000848986563 1057489871 /nfs/dbraw/zinc/48/98/71/1057489871.db2.gz FPRKDJRREYSGEH-GOSISDBHSA-N 1 0 397.510 3.983 20 30 GHEDRO Cn1cc(-c2ccc(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)cc2)cn1 ZINC001326484280 1057492845 /nfs/dbraw/zinc/49/28/45/1057492845.db2.gz OMWIREQJJNAOPE-UHFFFAOYSA-N 1 0 385.515 3.713 20 30 GHEDRO CC(C)([C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001356545157 1057544939 /nfs/dbraw/zinc/54/49/39/1057544939.db2.gz OLGQVGDDOAKMGC-QFBILLFUSA-N 1 0 377.479 3.525 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001326847810 1057567134 /nfs/dbraw/zinc/56/71/34/1057567134.db2.gz UYGDRQROTPBYAG-CVEARBPZSA-N 1 0 389.500 3.529 20 30 GHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H](O)COc2ccccc2)cc1 ZINC000849069920 1057579538 /nfs/dbraw/zinc/57/95/38/1057579538.db2.gz VIWFENJITVMIQA-JOCHJYFZSA-N 1 0 389.499 3.993 20 30 GHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1cccc2cc[nH]c21 ZINC000849087736 1057588371 /nfs/dbraw/zinc/58/83/71/1057588371.db2.gz LOYGNZOQMXWVNT-UHFFFAOYSA-N 1 0 394.519 3.839 20 30 GHEDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)[NH+](C)C)cc1 ZINC001439959716 1058365457 /nfs/dbraw/zinc/36/54/57/1058365457.db2.gz HEYMHZAVXQZDSI-IFMALSPDSA-N 1 0 378.520 3.559 20 30 GHEDRO Cn1c(CCCCC#N)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001338087719 1058398132 /nfs/dbraw/zinc/39/81/32/1058398132.db2.gz LMBGOXKPXPNXGW-LEWJYISDSA-N 1 0 392.551 3.542 20 30 GHEDRO C[C@H]1CCc2nc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c(C#N)cc2C1 ZINC001440103695 1058425245 /nfs/dbraw/zinc/42/52/45/1058425245.db2.gz QOXVDZBOBCDOTL-PKOBYXMFSA-N 1 0 388.515 3.929 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)[C@H](CC#N)c2ccccc2)[NH+]2CCCC2)c1 ZINC001440368359 1058502139 /nfs/dbraw/zinc/50/21/39/1058502139.db2.gz FWPYYCZMFIDTEO-FGZHOGPDSA-N 1 0 377.488 3.646 20 30 GHEDRO CCCCCC[C@@H](O)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440736808 1058602275 /nfs/dbraw/zinc/60/22/75/1058602275.db2.gz FNNSGFXYYQYYLE-JOCHJYFZSA-N 1 0 385.552 3.704 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339140082 1058978259 /nfs/dbraw/zinc/97/82/59/1058978259.db2.gz MWQAGBAAGMXBAJ-RTBURBONSA-N 1 0 387.572 3.590 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC001442661373 1058989806 /nfs/dbraw/zinc/98/98/06/1058989806.db2.gz KYEBYBOGWUSAKA-WSTZPKSXSA-N 1 0 396.535 3.531 20 30 GHEDRO N#Cc1cc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1F ZINC001443083999 1059058091 /nfs/dbraw/zinc/05/80/91/1059058091.db2.gz COGFDDTXQORGHR-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(c2nnc(N3CCC[C@H](CC#N)C3)n2C)C1 ZINC001339284135 1059068042 /nfs/dbraw/zinc/06/80/42/1059068042.db2.gz SRNLMBREABTGNO-HMFYCAOWSA-N 1 0 396.514 3.577 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(C(F)(F)F)n2c1CCCC2)C(C)C ZINC001443426726 1059128689 /nfs/dbraw/zinc/12/86/89/1059128689.db2.gz LGZYNGYUYYZMPN-INIZCTEOSA-N 1 0 398.473 3.667 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C)C(C)C ZINC001443432473 1059129530 /nfs/dbraw/zinc/12/95/30/1059129530.db2.gz WXPNSYPTHKCQDX-VGSWGCGISA-N 1 0 378.557 3.559 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)C(C)C ZINC001443432684 1059129704 /nfs/dbraw/zinc/12/97/04/1059129704.db2.gz YOJAWQLPFODTBY-GOSISDBHSA-N 1 0 393.572 3.639 20 30 GHEDRO CCN(c1nnc(C(C)(C)CC#N)n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001339752044 1059441156 /nfs/dbraw/zinc/44/11/56/1059441156.db2.gz INWNNPAMQSLQQM-PKOBYXMFSA-N 1 0 380.540 3.668 20 30 GHEDRO C=CCC[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC001446505384 1059784682 /nfs/dbraw/zinc/78/46/82/1059784682.db2.gz MRGMKFWYUDSTJA-QHCPKHFHSA-N 1 0 377.532 3.871 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC001446913768 1059903068 /nfs/dbraw/zinc/90/30/68/1059903068.db2.gz VSGQGNWFIQLJFC-JOCHJYFZSA-N 1 0 390.531 3.919 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2Cc2ccccc2)CC1 ZINC001340558737 1059975363 /nfs/dbraw/zinc/97/53/63/1059975363.db2.gz QPVFSLFJWNEXBA-NHCUHLMSSA-N 1 0 392.551 3.510 20 30 GHEDRO C=C(CCC(=O)OC)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC001447558481 1059981543 /nfs/dbraw/zinc/98/15/43/1059981543.db2.gz MXVSSXQQBFAMRU-IBGZPJMESA-N 1 0 394.462 3.506 20 30 GHEDRO CCn1c(N2CCC(CC[N@H+](CC)CC3CC3)CC2)nnc1C(C)(C)CC#N ZINC001341126946 1060426001 /nfs/dbraw/zinc/42/60/01/1060426001.db2.gz IGBFWPZWHLQGIY-UHFFFAOYSA-N 1 0 386.588 3.828 20 30 GHEDRO C=CCC[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001546026000 1060680023 /nfs/dbraw/zinc/68/00/23/1060680023.db2.gz ZJPNMHTWXYHQNN-IBGZPJMESA-N 1 0 396.453 3.940 20 30 GHEDRO C[C@H]1[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001450778376 1060684159 /nfs/dbraw/zinc/68/41/59/1060684159.db2.gz ABIAUXUBDJUNHF-JXFKEZNVSA-N 1 0 386.417 3.836 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001451879707 1060855874 /nfs/dbraw/zinc/85/58/74/1060855874.db2.gz WHZIPXJZXOPTPI-SFHVURJKSA-N 1 0 379.342 3.881 20 30 GHEDRO C=C(C)Cn1c([C@H]2C[C@@H]2C)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001341992626 1060986417 /nfs/dbraw/zinc/98/64/17/1060986417.db2.gz BTUOWCMQSKOMPJ-HOCLYGCPSA-N 1 0 385.478 3.831 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3cccc(CC#N)c3)cc2)C[C@H](C)O1 ZINC001452691071 1060987209 /nfs/dbraw/zinc/98/72/09/1060987209.db2.gz MMNGBHDFUKVRHV-KDURUIRLSA-N 1 0 391.515 3.634 20 30 GHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(CCCC#N)n2Cc2ccccc2)CC1 ZINC001342074511 1061040272 /nfs/dbraw/zinc/04/02/72/1061040272.db2.gz YUAZTEVCKZEVBG-UHFFFAOYSA-N 1 0 394.567 3.729 20 30 GHEDRO C=C(C)Cn1c(Cc2ncccc2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342200624 1061128879 /nfs/dbraw/zinc/12/88/79/1061128879.db2.gz KHFSGXKSXJTYLC-UHFFFAOYSA-N 1 0 394.567 3.603 20 30 GHEDRO C=C(C)Cn1c(-c2ccc(C)nc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001345961949 1061246704 /nfs/dbraw/zinc/24/67/04/1061246704.db2.gz PRJLBSIOZYFZOG-LJQANCHMSA-N 1 0 380.540 3.537 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(C(C)(C)CC#N)n2CC2CC2)C1 ZINC001346033977 1061307902 /nfs/dbraw/zinc/30/79/02/1061307902.db2.gz MZTUVDKDMLNTIZ-QUCCMNQESA-N 1 0 398.599 3.970 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc2ccccc12 ZINC001346142947 1061399412 /nfs/dbraw/zinc/39/94/12/1061399412.db2.gz YAHMOQIXSWYJGM-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2([NH+](C)C)CCCC2)o1 ZINC001361212074 1061725004 /nfs/dbraw/zinc/72/50/04/1061725004.db2.gz GTUQQAWSOHMYDF-OAQYLSRUSA-N 1 0 396.539 3.851 20 30 GHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001455508429 1062194816 /nfs/dbraw/zinc/19/48/16/1062194816.db2.gz XGMNQGPEGZBSIV-OAQYLSRUSA-N 1 0 383.536 3.829 20 30 GHEDRO N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccncc4)c3)cc2)c1 ZINC001455932397 1062358412 /nfs/dbraw/zinc/35/84/12/1062358412.db2.gz NIFCFRXQJHNZAF-UHFFFAOYSA-N 1 0 395.422 3.970 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC001455947380 1062365507 /nfs/dbraw/zinc/36/55/07/1062365507.db2.gz SAJYAAYIELLCEP-UHFFFAOYSA-N 1 0 389.521 3.560 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001435567189 1062741970 /nfs/dbraw/zinc/74/19/70/1062741970.db2.gz SUHQXOBMDRCWEE-UXHICEINSA-N 1 0 375.516 3.839 20 30 GHEDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC001435666021 1062829785 /nfs/dbraw/zinc/82/97/85/1062829785.db2.gz WJXZUVVCXXBNEU-BHIFYINESA-N 1 0 389.499 3.597 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)c1C#N ZINC001457526545 1063225582 /nfs/dbraw/zinc/22/55/82/1063225582.db2.gz KZRJUXUPFJIFNE-ROUUACIJSA-N 1 0 393.535 3.982 20 30 GHEDRO Cc1c(Cl)cnc(N2CCC[N@H+](Cc3ccccc3)CCOCC2)c1C#N ZINC001458672175 1063916924 /nfs/dbraw/zinc/91/69/24/1063916924.db2.gz XMLPIUYGLOCYPY-UHFFFAOYSA-N 1 0 384.911 3.644 20 30 GHEDRO C=CCC(F)(F)C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438034290 1063970318 /nfs/dbraw/zinc/97/03/18/1063970318.db2.gz ULVMUTGOQUJNJF-CQSZACIVSA-N 1 0 387.268 3.870 20 30 GHEDRO Cn1c(C2=[NH+]N(c3ccccc3)[C@H](C#N)C2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001350441380 1064087121 /nfs/dbraw/zinc/08/71/21/1064087121.db2.gz JXVKUSKMBKHVFC-PZJWPPBQSA-N 1 0 397.486 3.663 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CCC1 ZINC001459920364 1064272725 /nfs/dbraw/zinc/27/27/25/1064272725.db2.gz DNLKTSCKECAXKT-INIZCTEOSA-N 1 0 393.325 3.737 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC)cc1 ZINC001459937509 1064286770 /nfs/dbraw/zinc/28/67/70/1064286770.db2.gz XHKFTLDVBWSJIP-HXUWFJFHSA-N 1 0 399.535 3.718 20 30 GHEDRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC001463677788 1064545292 /nfs/dbraw/zinc/54/52/92/1064545292.db2.gz UHZFLIYYSIHILT-SFHVURJKSA-N 1 0 391.924 3.573 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001463987951 1064755242 /nfs/dbraw/zinc/75/52/42/1064755242.db2.gz TWUOMUUNWCSUOO-WXFJXSOESA-N 1 0 386.536 3.900 20 30 GHEDRO Cc1oc(-c2cccs2)nc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC001200023678 1065016917 /nfs/dbraw/zinc/01/69/17/1065016917.db2.gz QTOCMTNQDYXPEF-UHFFFAOYSA-N 1 0 379.489 3.737 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(F)(F)c1ccccc1C#N ZINC001464637658 1065127881 /nfs/dbraw/zinc/12/78/81/1065127881.db2.gz FVDPFLFHBWLCSQ-UHFFFAOYSA-N 1 0 393.384 3.519 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C[C@@H]2C1 ZINC001352773936 1065297917 /nfs/dbraw/zinc/29/79/17/1065297917.db2.gz GKIDWZMPGIKGJB-SXWKCWPCSA-N 1 0 388.515 3.675 20 30 GHEDRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001465221319 1065472518 /nfs/dbraw/zinc/47/25/18/1065472518.db2.gz XDFSUWUWYAINBD-QGZVFWFLSA-N 1 0 379.464 3.599 20 30 GHEDRO CCCCCCCCCCNC(=S)N(CCC[NH+](C)C)CCC(=O)OC ZINC001200210845 1065595164 /nfs/dbraw/zinc/59/51/64/1065595164.db2.gz DGIPOFGWQLLVJK-UHFFFAOYSA-N 1 0 387.634 3.818 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492557130 1065657783 /nfs/dbraw/zinc/65/77/83/1065657783.db2.gz APIWOESWVKHSFZ-RTBURBONSA-N 1 0 394.567 3.971 20 30 GHEDRO C=CCNC(=S)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001200291827 1065830911 /nfs/dbraw/zinc/83/09/11/1065830911.db2.gz YKUVAVOFCCGPGO-UHFFFAOYSA-N 1 0 377.557 3.844 20 30 GHEDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001465825361 1065880514 /nfs/dbraw/zinc/88/05/14/1065880514.db2.gz PLVQTQCWGNTYPO-UHFFFAOYSA-N 1 0 379.504 3.566 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C(C)C)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001300273894 1065904241 /nfs/dbraw/zinc/90/42/41/1065904241.db2.gz SDYLEKLPPVNLPP-WIYYLYMNSA-N 1 0 395.551 3.705 20 30 GHEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2C#N)C[N@@H+]1Cc1ccccc1 ZINC001465915891 1065920584 /nfs/dbraw/zinc/92/05/84/1065920584.db2.gz NXPGWMJEBFDVJD-KBXCAEBGSA-N 1 0 398.304 3.714 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300294178 1065943789 /nfs/dbraw/zinc/94/37/89/1065943789.db2.gz XSCHCOKVOAPFHO-AZUAARDMSA-N 1 0 379.552 3.833 20 30 GHEDRO CO[C@@H](Cc1ccccc1)C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746353 1066015676 /nfs/dbraw/zinc/01/56/76/1066015676.db2.gz FGLLCRGWXTXYBA-QFIPXVFZSA-N 1 0 392.499 3.593 20 30 GHEDRO Cc1cncc(CCC(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847746193 1066019564 /nfs/dbraw/zinc/01/95/64/1066019564.db2.gz BLPFWQOHQDBICM-UHFFFAOYSA-N 1 0 377.488 3.672 20 30 GHEDRO Cn1nc(C(C)(C)C)cc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745742 1066020194 /nfs/dbraw/zinc/02/01/94/1066020194.db2.gz OCLNURQLXCBOJU-UHFFFAOYSA-N 1 0 394.519 3.680 20 30 GHEDRO COc1ccccc1CCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745737 1066020440 /nfs/dbraw/zinc/02/04/40/1066020440.db2.gz NVAUTQAFYVEFCN-UHFFFAOYSA-N 1 0 392.499 3.977 20 30 GHEDRO Cc1ccc(/C=C/C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000847747311 1066023369 /nfs/dbraw/zinc/02/33/69/1066023369.db2.gz GFLBIYMCFTWKSS-MDZDMXLPSA-N 1 0 375.472 3.752 20 30 GHEDRO N#CC1(COC(=O)CCCC2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000847747256 1066023616 /nfs/dbraw/zinc/02/36/16/1066023616.db2.gz DREQCNCUHKIKFK-UHFFFAOYSA-N 1 0 384.520 3.932 20 30 GHEDRO N#CC1(COC(=O)Cc2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000847748526 1066029407 /nfs/dbraw/zinc/02/94/07/1066029407.db2.gz BREMNZNYLNTREK-UHFFFAOYSA-N 1 0 384.426 3.856 20 30 GHEDRO N#CC1(COC(=O)CCSc2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748714 1066037649 /nfs/dbraw/zinc/03/76/49/1066037649.db2.gz GTWROQBVBIHTOX-UHFFFAOYSA-N 1 0 395.528 3.913 20 30 GHEDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)[C@@H]2C1 ZINC001466277320 1066069673 /nfs/dbraw/zinc/06/96/73/1066069673.db2.gz NNYIHDRBWKVIAT-CWFSZBLJSA-N 1 0 376.460 3.812 20 30 GHEDRO CCn1c(C2CCN(c3cc[nH+]cc3C)CC2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001353699764 1066150129 /nfs/dbraw/zinc/15/01/29/1066150129.db2.gz MFRPVNBXEVFHTR-QUCCMNQESA-N 1 0 393.539 3.514 20 30 GHEDRO C[N@@H+]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1(C)C ZINC001466520755 1066178154 /nfs/dbraw/zinc/17/81/54/1066178154.db2.gz ZODYXWPKFQXIJX-UHFFFAOYSA-N 1 0 394.523 3.599 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](c1nccs1)C(F)(F)F)C(C)C ZINC001466628660 1066222474 /nfs/dbraw/zinc/22/24/74/1066222474.db2.gz ZYRYIJHEYAIOAV-KGLIPLIRSA-N 1 0 390.475 3.744 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001466733978 1066283756 /nfs/dbraw/zinc/28/37/56/1066283756.db2.gz GWCKWKOEVKEQAB-SFHVURJKSA-N 1 0 386.471 3.827 20 30 GHEDRO C=CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C(=O)OCC ZINC001466783421 1066312982 /nfs/dbraw/zinc/31/29/82/1066312982.db2.gz MUZRIEYUEOGAST-BDTNDASRSA-N 1 0 398.547 3.549 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC001467194350 1067141598 /nfs/dbraw/zinc/14/15/98/1067141598.db2.gz PPIUHJGJTWVTOP-QGZVFWFLSA-N 1 0 382.430 3.725 20 30 GHEDRO N#CCc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC001467197344 1067143512 /nfs/dbraw/zinc/14/35/12/1067143512.db2.gz BUBGHNTYEWKFMS-UHFFFAOYSA-N 1 0 377.492 3.845 20 30 GHEDRO C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001357799375 1067277250 /nfs/dbraw/zinc/27/72/50/1067277250.db2.gz VDDDSOUFGNDGEY-LJQANCHMSA-N 1 0 387.527 3.933 20 30 GHEDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001357999808 1067360279 /nfs/dbraw/zinc/36/02/79/1067360279.db2.gz IVBUHPFADRFZRH-QFBILLFUSA-N 1 0 391.393 3.767 20 30 GHEDRO CCC[NH+](CCC)CCCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001467576730 1067367703 /nfs/dbraw/zinc/36/77/03/1067367703.db2.gz PHFMTZXDUDAQNQ-UHFFFAOYSA-N 1 0 390.959 3.762 20 30 GHEDRO N#Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)co1 ZINC001358444477 1067527664 /nfs/dbraw/zinc/52/76/64/1067527664.db2.gz QYKQNUJSVWFOAV-UHFFFAOYSA-N 1 0 380.448 3.608 20 30 GHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001473548299 1067566585 /nfs/dbraw/zinc/56/65/85/1067566585.db2.gz VYXIPICJIOYDNI-ISQHLFTMSA-N 1 0 396.579 3.512 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001358871703 1067588463 /nfs/dbraw/zinc/58/84/63/1067588463.db2.gz JDRNZUYDXANFNR-SFHVURJKSA-N 1 0 379.552 3.696 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001358878757 1067591330 /nfs/dbraw/zinc/59/13/30/1067591330.db2.gz CYRJPXQEEFAPGC-MRXNPFEDSA-N 1 0 397.954 3.931 20 30 GHEDRO C#CCN(C)c1nnc(C(C)(C)C)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001358937959 1067620706 /nfs/dbraw/zinc/62/07/06/1067620706.db2.gz MGROACNKHREARR-CTNGQTDRSA-N 1 0 393.579 3.946 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)[NH+](CC)CC ZINC001358938549 1067621442 /nfs/dbraw/zinc/62/14/42/1067621442.db2.gz DLPYWDBQNLNMEO-AZUAARDMSA-N 1 0 397.567 3.835 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2C)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001358944684 1067625246 /nfs/dbraw/zinc/62/52/46/1067625246.db2.gz DJTRBPSWLWWECL-FQEVSTJZSA-N 1 0 391.519 3.999 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001358994243 1067639460 /nfs/dbraw/zinc/63/94/60/1067639460.db2.gz IIUCQLNLKMPDHI-HXUWFJFHSA-N 1 0 383.584 3.594 20 30 GHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359123558 1067697400 /nfs/dbraw/zinc/69/74/00/1067697400.db2.gz VCXJINMDBREHTP-UHFFFAOYSA-N 1 0 397.567 3.569 20 30 GHEDRO C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359151931 1067712283 /nfs/dbraw/zinc/71/22/83/1067712283.db2.gz HDLKHAXYQIHACP-JKSUJKDBSA-N 1 0 391.922 3.679 20 30 GHEDRO C=C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359158697 1067716318 /nfs/dbraw/zinc/71/63/18/1067716318.db2.gz BWAVNCSCNAUJHH-HDICACEKSA-N 1 0 389.588 3.620 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000849109955 1067732849 /nfs/dbraw/zinc/73/28/49/1067732849.db2.gz MSUWVQJJKGADPN-UHFFFAOYSA-N 1 0 398.507 3.833 20 30 GHEDRO C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001359178093 1067737369 /nfs/dbraw/zinc/73/73/69/1067737369.db2.gz ITBKWXSLZYHNAI-UXHICEINSA-N 1 0 389.588 3.551 20 30 GHEDRO C#C[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001468611725 1067791214 /nfs/dbraw/zinc/79/12/14/1067791214.db2.gz AFTIWOPEYCWNIL-QHCPKHFHSA-N 1 0 381.564 3.919 20 30 GHEDRO C=CCCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359219272 1067796524 /nfs/dbraw/zinc/79/65/24/1067796524.db2.gz LTGUGZNRMDIKQE-UXHICEINSA-N 1 0 397.567 3.785 20 30 GHEDRO C=CCCC(C)(C)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001468641514 1067802073 /nfs/dbraw/zinc/80/20/73/1067802073.db2.gz JABPQIBLTVVTQI-UHFFFAOYSA-N 1 0 376.520 3.512 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359230763 1067832293 /nfs/dbraw/zinc/83/22/93/1067832293.db2.gz FDQKTBLGKUHQDS-SJORKVTESA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001359236744 1067842346 /nfs/dbraw/zinc/84/23/46/1067842346.db2.gz XNMHRQNLXWQALD-SFHVURJKSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001359241253 1067851051 /nfs/dbraw/zinc/85/10/51/1067851051.db2.gz KKJUPYQSCLAVQC-LJQANCHMSA-N 1 0 385.556 3.800 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359242336 1067853576 /nfs/dbraw/zinc/85/35/76/1067853576.db2.gz ZCTJBXYSIBPJMB-GOSISDBHSA-N 1 0 383.471 3.526 20 30 GHEDRO C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[NH+]1CCCCCC1 ZINC001359244033 1067857357 /nfs/dbraw/zinc/85/73/57/1067857357.db2.gz NIXKSJFZFWKAJI-UHFFFAOYSA-N 1 0 397.567 3.972 20 30 GHEDRO C=CCN(Cc1ccccc1)c1nnc(CC)n1CC1CC[NH+](C2CC2)CC1 ZINC001359259377 1067921698 /nfs/dbraw/zinc/92/16/98/1067921698.db2.gz USFPXVBGDBULQQ-UHFFFAOYSA-N 1 0 379.552 3.908 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359269840 1067935449 /nfs/dbraw/zinc/93/54/49/1067935449.db2.gz RQCIMSGTRVLJAC-SFHVURJKSA-N 1 0 382.537 3.816 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001359273253 1067940852 /nfs/dbraw/zinc/94/08/52/1067940852.db2.gz UKPMTDZCJJCTRG-GOSISDBHSA-N 1 0 383.515 3.528 20 30 GHEDRO C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)[NH+](C)C ZINC001359275642 1067944554 /nfs/dbraw/zinc/94/45/54/1067944554.db2.gz ZTKIOBYUJZTUPT-LJQANCHMSA-N 1 0 390.535 3.525 20 30 GHEDRO C=CCN(CCOC)c1nnc(C2CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359281132 1067953001 /nfs/dbraw/zinc/95/30/01/1067953001.db2.gz PGAHEZFACUYEGV-ROUUACIJSA-N 1 0 389.588 3.551 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001359313718 1068026810 /nfs/dbraw/zinc/02/68/10/1068026810.db2.gz QKUVFVDMGWIGCR-VAMGGRTRSA-N 1 0 389.588 3.837 20 30 GHEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC1CC[NH+](C2CC2)CC1 ZINC001359469912 1068066578 /nfs/dbraw/zinc/06/65/78/1068066578.db2.gz MYKORLYXBBLCHD-INIZCTEOSA-N 1 0 396.514 3.554 20 30 GHEDRO CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359705233 1068146390 /nfs/dbraw/zinc/14/63/90/1068146390.db2.gz ACFATBOLMIAAOK-NRFANRHFSA-N 1 0 398.580 3.651 20 30 GHEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCC1 ZINC001359734434 1068162527 /nfs/dbraw/zinc/16/25/27/1068162527.db2.gz SZACTOUOLYHGLT-FQEVSTJZSA-N 1 0 378.524 3.537 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(C2CCCC2)n1 ZINC001360035493 1068324262 /nfs/dbraw/zinc/32/42/62/1068324262.db2.gz PSIAEEDIIRIJGI-UHFFFAOYSA-N 1 0 396.560 3.805 20 30 GHEDRO C#CCN(C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001478099339 1078715963 /nfs/dbraw/zinc/71/59/63/1078715963.db2.gz AQEDFIVZUPWOTJ-INIZCTEOSA-N 1 0 395.469 3.938 20 30 GHEDRO C#CCC1(NC(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CCOCC1 ZINC001470132105 1068588783 /nfs/dbraw/zinc/58/87/83/1068588783.db2.gz IWWGLDCLPYHNTI-LJQANCHMSA-N 1 0 391.943 3.595 20 30 GHEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001360682483 1068598127 /nfs/dbraw/zinc/59/81/27/1068598127.db2.gz UOJKDRNYJLNKGI-SFHVURJKSA-N 1 0 398.304 3.715 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001478235085 1078777598 /nfs/dbraw/zinc/77/75/98/1078777598.db2.gz XOFMQEGZNXNFBQ-WMZOPIPTSA-N 1 0 381.442 3.596 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001478235403 1078778335 /nfs/dbraw/zinc/77/83/35/1078778335.db2.gz JDQKPTCHDLVEMA-AUSIDOKSSA-N 1 0 375.516 3.768 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c1 ZINC001460160361 1068822109 /nfs/dbraw/zinc/82/21/09/1068822109.db2.gz IPZPQCUEUUXPLU-CBGDNZLLSA-N 1 0 375.472 3.583 20 30 GHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001460268003 1068897360 /nfs/dbraw/zinc/89/73/60/1068897360.db2.gz XNWZQTBRMQPYKQ-RBUKOAKNSA-N 1 0 379.508 3.829 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460341637 1068932971 /nfs/dbraw/zinc/93/29/71/1068932971.db2.gz WGBPQYBLUMQSSU-YLJYHZDGSA-N 1 0 387.524 3.952 20 30 GHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC001460527019 1068988179 /nfs/dbraw/zinc/98/81/79/1068988179.db2.gz IBIIYETVVWDKER-BESSAKFISA-N 1 0 382.552 3.516 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001460662686 1069067238 /nfs/dbraw/zinc/06/72/38/1069067238.db2.gz JUZBRLYXKSPOCF-QGZVFWFLSA-N 1 0 378.451 3.507 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H]([C@H]4CCCO4)C3)sc2C1 ZINC001460750863 1069155903 /nfs/dbraw/zinc/15/59/03/1069155903.db2.gz RQOJSFWUGSVEMA-IIDMSEBBSA-N 1 0 387.549 3.574 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1C#N ZINC001478539107 1078910304 /nfs/dbraw/zinc/91/03/04/1078910304.db2.gz ZAXMVWPIPBPFHS-IBGZPJMESA-N 1 0 386.565 3.876 20 30 GHEDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccccc3Oc3ccccc3C#N)C[C@]2(C)C1 ZINC001470675595 1072683338 /nfs/dbraw/zinc/68/33/38/1072683338.db2.gz TUENWZWXNIFNKA-GOTSBHOMSA-N 1 0 375.472 3.764 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=O)c1cccc(CC#N)c1)c1cccc(C(F)(F)F)c1 ZINC001470920496 1072816564 /nfs/dbraw/zinc/81/65/64/1072816564.db2.gz IXWIRHUHOCRGQN-GOSISDBHSA-N 1 0 375.394 3.804 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001470936478 1072830004 /nfs/dbraw/zinc/83/00/04/1072830004.db2.gz RTBDLIZPUDRHSQ-BVSLBCMMSA-N 1 0 379.548 3.780 20 30 GHEDRO CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)s2)[NH+](C)C)cc1 ZINC001478771867 1078982682 /nfs/dbraw/zinc/98/26/82/1078982682.db2.gz SUHKNAFWVMDXKN-FQEVSTJZSA-N 1 0 384.549 3.920 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001471035792 1072895381 /nfs/dbraw/zinc/89/53/81/1072895381.db2.gz GMIPWVKFSCIVTL-LJQANCHMSA-N 1 0 391.298 3.795 20 30 GHEDRO C=CCCC[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC001471586718 1073148094 /nfs/dbraw/zinc/14/80/94/1073148094.db2.gz ZUWNEFCZRSORBU-NRFANRHFSA-N 1 0 378.520 3.661 20 30 GHEDRO C#CC[C@H](CCOC)NC(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001479061710 1079088625 /nfs/dbraw/zinc/08/86/25/1079088625.db2.gz JKHNLQOMGXQXKM-FGZHOGPDSA-N 1 0 385.552 3.501 20 30 GHEDRO C=CCN1CC[C@H](N(CC[NH+](CC)CC)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC001473209736 1073861878 /nfs/dbraw/zinc/86/18/78/1073861878.db2.gz DTEXUQYLAVPHLF-IBGZPJMESA-N 1 0 398.378 3.924 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1(CC)CC ZINC001473409631 1073953194 /nfs/dbraw/zinc/95/31/94/1073953194.db2.gz OGMUENCVLIIYNQ-LWLVAEKPSA-N 1 0 377.573 3.879 20 30 GHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473451140 1073969758 /nfs/dbraw/zinc/96/97/58/1073969758.db2.gz DSXWZYGOMSUCNB-QWQRMKEZSA-N 1 0 388.468 3.590 20 30 GHEDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC001473485120 1073984883 /nfs/dbraw/zinc/98/48/83/1073984883.db2.gz VVNIKOPIUPIWSY-GCJKJVERSA-N 1 0 386.540 3.823 20 30 GHEDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C12CCC2 ZINC001473535224 1074007763 /nfs/dbraw/zinc/00/77/63/1074007763.db2.gz FCNOSKDIJILSKD-MORSLUCNSA-N 1 0 387.549 3.620 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2cncc(C#N)c2)C1 ZINC001473630727 1074059022 /nfs/dbraw/zinc/05/90/22/1074059022.db2.gz BOMULHIIDJUCLY-NHCUHLMSSA-N 1 0 392.503 3.836 20 30 GHEDRO COc1ccc(N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c(OC)c1 ZINC001473732288 1074113849 /nfs/dbraw/zinc/11/38/49/1074113849.db2.gz FXTPOXHJBCFPMP-UHFFFAOYSA-N 1 0 379.504 3.827 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)C1 ZINC001473788878 1074142980 /nfs/dbraw/zinc/14/29/80/1074142980.db2.gz WPBGXISLGKOAEP-IBGZPJMESA-N 1 0 384.483 3.823 20 30 GHEDRO Cc1csc(C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC001473824797 1074161701 /nfs/dbraw/zinc/16/17/01/1074161701.db2.gz SMPDIHTZYZNWIL-UONOGXRCSA-N 1 0 388.924 3.868 20 30 GHEDRO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473877235 1074187406 /nfs/dbraw/zinc/18/74/06/1074187406.db2.gz LXSKCNHYDPTUIK-ICSRJNTNSA-N 1 0 388.943 3.735 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCOCC(F)(F)F)cc1OC ZINC001473921253 1074204098 /nfs/dbraw/zinc/20/40/98/1074204098.db2.gz IBJRDXYVXUJZKR-UHFFFAOYSA-N 1 0 398.219 3.691 20 30 GHEDRO Cn1cc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC001474291709 1074327664 /nfs/dbraw/zinc/32/76/64/1074327664.db2.gz XQPYNOJBPZAJSC-MOPGFXCFSA-N 1 0 380.492 3.559 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 ZINC001474301538 1074331386 /nfs/dbraw/zinc/33/13/86/1074331386.db2.gz DXPQMQOJVAFORN-HNNXBMFYSA-N 1 0 375.490 3.514 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001474561622 1074463916 /nfs/dbraw/zinc/46/39/16/1074463916.db2.gz JTVBVKHJUFNRQS-HSZRJFAPSA-N 1 0 398.551 3.847 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC001474721487 1074533301 /nfs/dbraw/zinc/53/33/01/1074533301.db2.gz CAAOJHACICHMCM-GBESFXJTSA-N 1 0 399.539 3.523 20 30 GHEDRO Cc1nn(-c2ccccc2F)cc1CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001474728181 1074536181 /nfs/dbraw/zinc/53/61/81/1074536181.db2.gz RLVGHCDBJFZTFH-JOCHJYFZSA-N 1 0 376.435 3.765 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001493740560 1079290970 /nfs/dbraw/zinc/29/09/70/1079290970.db2.gz OLVWJYKEFZIYTF-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C1)[NH+]1CCCCC1 ZINC001493919869 1079308703 /nfs/dbraw/zinc/30/87/03/1079308703.db2.gz FSWIRECHCICZSP-MOPGFXCFSA-N 1 0 392.551 3.927 20 30 GHEDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001476057330 1075077006 /nfs/dbraw/zinc/07/70/06/1075077006.db2.gz XSAFZVJFFLQGAL-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001494743789 1079355766 /nfs/dbraw/zinc/35/57/66/1079355766.db2.gz DFAJDLHUSRYMPH-UHFFFAOYSA-N 1 0 392.551 3.785 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001476223743 1075106293 /nfs/dbraw/zinc/10/62/93/1075106293.db2.gz FSPZSOILBBEWER-JOCHJYFZSA-N 1 0 381.451 3.624 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC[N@@H+]1CCc2sccc2C1 ZINC001495049628 1079378166 /nfs/dbraw/zinc/37/81/66/1079378166.db2.gz MQQAAHVXLKGZNI-HZPDHXFCSA-N 1 0 386.569 3.650 20 30 GHEDRO CC[C@@H](C)[N@H+](C)CCn1c(C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001496114588 1079456390 /nfs/dbraw/zinc/45/63/90/1079456390.db2.gz CTEBIDSAVJKKOV-XMSQKQJNSA-N 1 0 394.567 3.648 20 30 GHEDRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001496665208 1079477780 /nfs/dbraw/zinc/47/77/80/1079477780.db2.gz OEEVYSVKWZZWLH-NQIIRXRSSA-N 1 0 390.551 3.744 20 30 GHEDRO CC[C@H](Cn1c(C2CCCC2)nnc1N(CCC#N)CC1CC1)[NH+]1CCCC1 ZINC001497305376 1079490917 /nfs/dbraw/zinc/49/09/17/1079490917.db2.gz PMEBPPYIAGVHDX-HXUWFJFHSA-N 1 0 384.572 3.940 20 30 GHEDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(C#N)ccc1Br ZINC001648466815 1126250449 /nfs/dbraw/zinc/25/04/49/1126250449.db2.gz PSSJJCMBZDBBLW-SFHVURJKSA-N 1 0 377.257 3.543 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736788898 600593087 /nfs/dbraw/zinc/59/30/87/600593087.db2.gz HTLIMUHTYOFSFH-VGSWGCGISA-N 1 0 377.488 3.848 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)c2)s1 ZINC000822823164 606422448 /nfs/dbraw/zinc/42/24/48/606422448.db2.gz LYLDCWFTRUJEHX-UHFFFAOYSA-N 1 0 378.486 3.818 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826386238 608505744 /nfs/dbraw/zinc/50/57/44/608505744.db2.gz VRSJTLCMQFSIHB-FQEVSTJZSA-N 1 0 390.516 3.639 20 30 GHEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725913 720407069 /nfs/dbraw/zinc/40/70/69/720407069.db2.gz OEGLNBSEIZOYQO-NHCUHLMSSA-N 1 0 376.580 3.559 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164725327 720480003 /nfs/dbraw/zinc/48/00/03/720480003.db2.gz JOZSJZISEVZPCG-NHCUHLMSSA-N 1 0 387.531 3.815 20 30 GHEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)cc1C#N ZINC001164734330 720545535 /nfs/dbraw/zinc/54/55/35/720545535.db2.gz HYMPDCCQRMJXGN-CQSZACIVSA-N 1 0 398.885 3.668 20 30 GHEDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000180672602 837447047 /nfs/dbraw/zinc/44/70/47/837447047.db2.gz MUOIHMRWCCWGRS-MRXNPFEDSA-N 1 0 388.537 3.630 20 30 GHEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000180812950 837586292 /nfs/dbraw/zinc/58/62/92/837586292.db2.gz SUGQKWZNWRDINN-OXQOHEQNSA-N 1 0 391.475 3.808 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c(C#N)c1C ZINC000180850252 837590651 /nfs/dbraw/zinc/59/06/51/837590651.db2.gz YGWGHMFFXBSPSB-GJZGRUSLSA-N 1 0 377.448 3.632 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C3(C(N)=O)CCCC3)sc2C1 ZINC000333095727 844012331 /nfs/dbraw/zinc/01/23/31/844012331.db2.gz DASUKECGIWDCJX-ZDUSSCGKSA-N 1 0 388.537 3.853 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(C#N)cs1 ZINC000177066441 837742978 /nfs/dbraw/zinc/74/29/78/837742978.db2.gz WCUNPDHCYQQFOW-UHFFFAOYSA-N 1 0 381.423 3.843 20 30 GHEDRO Cn1c(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)nc2c1cccc2F ZINC000582032027 837777988 /nfs/dbraw/zinc/77/79/88/837777988.db2.gz NQOFICRZKGDKBD-UHFFFAOYSA-N 1 0 376.357 3.935 20 30 GHEDRO C=CC[N@@H+](CC/C=C\c1cncc(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000583562078 834648856 /nfs/dbraw/zinc/64/88/56/834648856.db2.gz ZHVDAKHYMPYIHK-GNJLHFKMSA-N 1 0 390.491 3.718 20 30 GHEDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4ccc(C#N)cc43)CC2)cc1 ZINC000583663711 834834181 /nfs/dbraw/zinc/83/41/81/834834181.db2.gz RKWKRVBUDCWVMM-QHCPKHFHSA-N 1 0 389.499 3.839 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c2ccccc2)CC1 ZINC000329840688 834894322 /nfs/dbraw/zinc/89/43/22/834894322.db2.gz WMKQRAOKVZIWDH-NFBKMPQASA-N 1 0 398.551 3.816 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000181082586 837820397 /nfs/dbraw/zinc/82/03/97/837820397.db2.gz INWJIBLXMZUVHK-UHFFFAOYSA-N 1 0 393.491 3.779 20 30 GHEDRO O[C@@H](CC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)(F)F ZINC000685458192 835023918 /nfs/dbraw/zinc/02/39/18/835023918.db2.gz QTHBNHJNDUXZKY-WDEREUQCSA-N 1 0 399.253 3.962 20 30 GHEDRO COc1ccccc1[C@H]1CCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000158080248 835181453 /nfs/dbraw/zinc/18/14/53/835181453.db2.gz HXQMLCNILCHMRX-INIZCTEOSA-N 1 0 381.501 3.739 20 30 GHEDRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433342587 844028390 /nfs/dbraw/zinc/02/83/90/844028390.db2.gz LPMGWSOZOVHDOR-UHFFFAOYSA-N 1 0 397.486 3.643 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(F)cc3C#N)cc2)C[C@@H](C)O1 ZINC000097472961 835236347 /nfs/dbraw/zinc/23/63/47/835236347.db2.gz DZWAXILERDVXLR-HZPDHXFCSA-N 1 0 396.466 3.628 20 30 GHEDRO N#CC1(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CCC1 ZINC000097589574 835307933 /nfs/dbraw/zinc/30/79/33/835307933.db2.gz YOVJPEAPADHDIK-UHFFFAOYSA-N 1 0 388.515 3.637 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000127012082 835315268 /nfs/dbraw/zinc/31/52/68/835315268.db2.gz LYEZJHGMVSJEMI-NRFANRHFSA-N 1 0 389.499 3.695 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000175336520 835319937 /nfs/dbraw/zinc/31/99/37/835319937.db2.gz BDCOXEBXEDMFSQ-UHFFFAOYSA-N 1 0 378.423 3.688 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(c3c(C#N)cnc4c(Cl)cccc43)CC2)CC1 ZINC000583991092 835367899 /nfs/dbraw/zinc/36/78/99/835367899.db2.gz OKCRJTTWTKLWJU-UHFFFAOYSA-N 1 0 397.954 3.755 20 30 GHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000176967071 835400803 /nfs/dbraw/zinc/40/08/03/835400803.db2.gz JJYZJYDFUONCLT-INIZCTEOSA-N 1 0 392.425 3.516 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000584021300 835463377 /nfs/dbraw/zinc/46/33/77/835463377.db2.gz OETDIOZZQZYMIF-NHCUHLMSSA-N 1 0 381.451 3.878 20 30 GHEDRO C[NH+](C)CCc1ccc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000579855649 835483816 /nfs/dbraw/zinc/48/38/16/835483816.db2.gz FUEUOWFDABFZIZ-SFHVURJKSA-N 1 0 391.393 3.684 20 30 GHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508814319 844060974 /nfs/dbraw/zinc/06/09/74/844060974.db2.gz UHQGTDYZPCSCBY-UHFFFAOYSA-N 1 0 378.524 3.561 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC([C@H]3CCOC3)CC2)sc2c1CCCC2 ZINC000612131588 835581307 /nfs/dbraw/zinc/58/13/07/835581307.db2.gz SOPHXCICKPLXRN-INIZCTEOSA-N 1 0 387.549 3.576 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000433376954 844071788 /nfs/dbraw/zinc/07/17/88/844071788.db2.gz LAKCVPPCPDEPHQ-UEVCKROQSA-N 1 0 375.516 3.928 20 30 GHEDRO CN1CCCc2cc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)ccc21 ZINC000278634966 835657787 /nfs/dbraw/zinc/65/77/87/835657787.db2.gz KZTFUSCYMLYQNB-UHFFFAOYSA-N 1 0 386.503 3.531 20 30 GHEDRO CCO[C@@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCC1 ZINC000278634948 835658127 /nfs/dbraw/zinc/65/81/27/835658127.db2.gz KZSSHAFRBXVEIF-NRFANRHFSA-N 1 0 381.524 3.934 20 30 GHEDRO N#CCCn1cc(C[NH2+]C2CCN(c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000278637442 835669925 /nfs/dbraw/zinc/66/99/25/835669925.db2.gz LCIHBWQBMJHHCI-UHFFFAOYSA-N 1 0 386.503 3.617 20 30 GHEDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)N(C)C)cc1 ZINC000278639718 835671485 /nfs/dbraw/zinc/67/14/85/835671485.db2.gz LJQAFHNPEVDNHK-JOCHJYFZSA-N 1 0 388.519 3.560 20 30 GHEDRO CCN1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612148422 835681175 /nfs/dbraw/zinc/68/11/75/835681175.db2.gz IIUNWPGUBGCXPM-BJLQDIEVSA-N 1 0 392.906 3.950 20 30 GHEDRO O=C(c1ccc(Cl)s1)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134162604 835696316 /nfs/dbraw/zinc/69/63/16/835696316.db2.gz YOLRAXOLLOHAKY-ZDUSSCGKSA-O 1 0 395.957 3.787 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000647408745 835742139 /nfs/dbraw/zinc/74/21/39/835742139.db2.gz HELSQUOKFJFJNO-INIZCTEOSA-N 1 0 393.457 3.670 20 30 GHEDRO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C2CC2)cc1 ZINC000052866951 835748293 /nfs/dbraw/zinc/74/82/93/835748293.db2.gz BJVGNLHFSXACLJ-UTKZUKDTSA-N 1 0 380.488 3.607 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000158925968 835859913 /nfs/dbraw/zinc/85/99/13/835859913.db2.gz YBGGOLDGRSBATP-UHFFFAOYSA-N 1 0 393.384 3.920 20 30 GHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000157750319 835864305 /nfs/dbraw/zinc/86/43/05/835864305.db2.gz SVWYPURGTJFEDT-UHFFFAOYSA-N 1 0 396.491 3.608 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000102752992 835865818 /nfs/dbraw/zinc/86/58/18/835865818.db2.gz CQVFQIMBOZQUDA-SFHVURJKSA-N 1 0 381.476 3.580 20 30 GHEDRO CC(C)c1cccc(NC(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255839281 835923357 /nfs/dbraw/zinc/92/33/57/835923357.db2.gz AEYMHULCVQRUKK-UHFFFAOYSA-N 1 0 381.476 3.636 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000573210567 835935065 /nfs/dbraw/zinc/93/50/65/835935065.db2.gz MSBOFPKPNGEXAU-HSZRJFAPSA-N 1 0 390.487 3.955 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC000431635150 835936729 /nfs/dbraw/zinc/93/67/29/835936729.db2.gz PMBHNMZKBSEPSQ-UHFFFAOYSA-N 1 0 379.291 3.559 20 30 GHEDRO CO[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccc(Cl)c1 ZINC000278748349 835955762 /nfs/dbraw/zinc/95/57/62/835955762.db2.gz WDJBRNXQSDJYGV-HXUWFJFHSA-N 1 0 395.894 3.989 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1noc2ccccc21 ZINC000655470594 836007034 /nfs/dbraw/zinc/00/70/34/836007034.db2.gz GEIBNGUQADAJHU-UHFFFAOYSA-N 1 0 397.548 3.969 20 30 GHEDRO COc1ccc(C[C@H](C)C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000535628172 836029201 /nfs/dbraw/zinc/02/92/01/836029201.db2.gz FWCBOBAOBAYFMW-IBGZPJMESA-N 1 0 379.504 3.752 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccccc2)n1 ZINC000065930869 836252755 /nfs/dbraw/zinc/25/27/55/836252755.db2.gz HGFCVHZWLCGCEV-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246904507 836261871 /nfs/dbraw/zinc/26/18/71/836261871.db2.gz HHCUQRINDHIAFK-GHTZIAJQSA-N 1 0 397.544 3.540 20 30 GHEDRO CCN(CC)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccco1 ZINC000180152334 836375524 /nfs/dbraw/zinc/37/55/24/836375524.db2.gz BXXBGFQTMFFOFU-HXUWFJFHSA-N 1 0 377.492 3.724 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)c3ccccc3)c2)c1 ZINC000065979290 836405751 /nfs/dbraw/zinc/40/57/51/836405751.db2.gz LAKIWWZPNRJMFG-UHFFFAOYSA-N 1 0 385.467 3.657 20 30 GHEDRO Cc1c(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000328602439 836502790 /nfs/dbraw/zinc/50/27/90/836502790.db2.gz GXKYWPMIFUATPY-LJQANCHMSA-N 1 0 381.524 3.903 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccccc1C ZINC000175481435 836545768 /nfs/dbraw/zinc/54/57/68/836545768.db2.gz DJXYQPMVZINCOS-UHFFFAOYSA-N 1 0 378.476 3.546 20 30 GHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c1C#N ZINC000133803817 836604660 /nfs/dbraw/zinc/60/46/60/836604660.db2.gz OKJKMRKIODUGIJ-LBPRGKRZSA-N 1 0 393.413 3.584 20 30 GHEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000510171367 836612637 /nfs/dbraw/zinc/61/26/37/836612637.db2.gz XFIMYGHMCFIBAA-JLMWRMLUSA-N 1 0 380.488 3.780 20 30 GHEDRO N#Cc1ccc(OC2CCN(c3cc(-n4ccnc4)cc[nH+]3)CC2)cc1Cl ZINC001167152552 836667889 /nfs/dbraw/zinc/66/78/89/836667889.db2.gz KVCPGQIBRSWYTB-UHFFFAOYSA-N 1 0 379.851 3.840 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452026617 836702014 /nfs/dbraw/zinc/70/20/14/836702014.db2.gz VINKUQRZMDNDQI-IAGOWNOFSA-N 1 0 375.538 3.764 20 30 GHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1nc(C(F)(F)F)cs1 ZINC000613511421 836706065 /nfs/dbraw/zinc/70/60/65/836706065.db2.gz XTOBLODQSJUZIW-NSHDSACASA-N 1 0 381.427 3.748 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510191337 836715633 /nfs/dbraw/zinc/71/56/33/836715633.db2.gz ILBMSNOVMHHVGM-IRFCIJBXSA-N 1 0 391.515 3.742 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892511411 836718554 /nfs/dbraw/zinc/71/85/54/836718554.db2.gz DMBYOOHJZBSMMP-OAHLLOKOSA-N 1 0 388.562 3.735 20 30 GHEDRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(c3[nH]ccc4ncc(C#N)c3-4)C1)C2 ZINC001167203222 836891589 /nfs/dbraw/zinc/89/15/89/836891589.db2.gz GVGOQAFCMHMSLR-WAIKUNEKSA-N 1 0 386.455 3.534 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000247155768 836968709 /nfs/dbraw/zinc/96/87/09/836968709.db2.gz XIZSDYFQERTBKG-XZOQPEGZSA-N 1 0 388.515 3.754 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180057831 836976821 /nfs/dbraw/zinc/97/68/21/836976821.db2.gz UAPCBJZOGKUBQH-UHFFFAOYSA-N 1 0 386.503 3.634 20 30 GHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)ccn1 ZINC000549755189 844224747 /nfs/dbraw/zinc/22/47/47/844224747.db2.gz REKKVFYYNJMRKY-UHFFFAOYSA-N 1 0 391.302 3.854 20 30 GHEDRO CCNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccc(C)cc1 ZINC000027056558 837024277 /nfs/dbraw/zinc/02/42/77/837024277.db2.gz QKOVNJJIXICLKE-UHFFFAOYSA-O 1 0 398.552 3.815 20 30 GHEDRO COc1ccc([C@H](C)CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000175911931 837053244 /nfs/dbraw/zinc/05/32/44/837053244.db2.gz QBZQADAISZPXMP-GOSISDBHSA-N 1 0 379.504 3.651 20 30 GHEDRO Cn1cc(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c(-c2ccc(C#N)cc2)n1 ZINC000180336305 837146154 /nfs/dbraw/zinc/14/61/54/837146154.db2.gz MEEHNNZPVXORFM-QFIPXVFZSA-N 1 0 388.515 3.851 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1 ZINC000547840004 837224273 /nfs/dbraw/zinc/22/42/73/837224273.db2.gz AHFKUTSVAOFSCL-UHFFFAOYSA-N 1 0 376.407 3.608 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)c2)c1 ZINC000180457641 837281113 /nfs/dbraw/zinc/28/11/13/837281113.db2.gz JHPXXKRIZQSEHF-VXKWHMMOSA-N 1 0 380.513 3.844 20 30 GHEDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2=O)n(C)n1 ZINC000543861313 837293676 /nfs/dbraw/zinc/29/36/76/837293676.db2.gz IGELOWJSZQLCLQ-HTAPYJJXSA-N 1 0 399.498 3.723 20 30 GHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)ccc1OCC(C)C ZINC000180093906 837314955 /nfs/dbraw/zinc/31/49/55/837314955.db2.gz CZBDQPANCIBGNG-AWEZNQCLSA-N 1 0 387.505 3.952 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)/C=C\c3ccccc3C#N)cc2)CC1 ZINC000255103944 837845498 /nfs/dbraw/zinc/84/54/98/837845498.db2.gz VSEGWGRQIOYGFJ-GHXNOFRVSA-N 1 0 388.515 3.988 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)CC1 ZINC000181121382 837847106 /nfs/dbraw/zinc/84/71/06/837847106.db2.gz GEGMNYXXMZKABB-UHFFFAOYSA-N 1 0 382.504 3.938 20 30 GHEDRO CSc1nc(-c2ccc(C)cc2)c(C#N)c(-n2ccc3cc(C[NH3+])cnc32)n1 ZINC001167305289 838000577 /nfs/dbraw/zinc/00/05/77/838000577.db2.gz XFIJLSZNSPVAIT-UHFFFAOYSA-N 1 0 386.484 3.843 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)n(-c2ccc(C#N)cc2)n1 ZINC000415708051 838008015 /nfs/dbraw/zinc/00/80/15/838008015.db2.gz WRLXHPVPRLTLTL-DLBZAZTESA-N 1 0 394.523 3.680 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(N2CCCC2=O)cc1 ZINC000181363714 838016270 /nfs/dbraw/zinc/01/62/70/838016270.db2.gz GMXQDFHAVXAMDK-AWEZNQCLSA-N 1 0 396.878 3.628 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000046265804 838080439 /nfs/dbraw/zinc/08/04/39/838080439.db2.gz ZLMYMJKFANHVJC-JOCHJYFZSA-N 1 0 378.520 3.653 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415799076 838115127 /nfs/dbraw/zinc/11/51/27/838115127.db2.gz BSMQEURPLSOOCD-CQSZACIVSA-N 1 0 384.318 3.851 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000415806593 838123202 /nfs/dbraw/zinc/12/32/02/838123202.db2.gz PEKRGHGACHEMNA-WFASDCNBSA-N 1 0 382.302 3.748 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415800997 838125670 /nfs/dbraw/zinc/12/56/70/838125670.db2.gz FOONQRYYOQHBQC-HNNXBMFYSA-N 1 0 382.302 3.524 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415802068 838127512 /nfs/dbraw/zinc/12/75/12/838127512.db2.gz HMKPQQKTFDYJMF-AWEZNQCLSA-N 1 0 382.302 3.668 20 30 GHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460780887 838192022 /nfs/dbraw/zinc/19/20/22/838192022.db2.gz ICPDKUVBBYIZEC-FPOVZHCZSA-N 1 0 381.568 3.920 20 30 GHEDRO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659295173 838222898 /nfs/dbraw/zinc/22/28/98/838222898.db2.gz UQTNXCIVGXHETC-OLZOCXBDSA-N 1 0 398.322 3.943 20 30 GHEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659307946 838241027 /nfs/dbraw/zinc/24/10/27/838241027.db2.gz RZTDNJIOFDQMGU-JOYOIKCWSA-N 1 0 386.311 3.704 20 30 GHEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659307948 838241303 /nfs/dbraw/zinc/24/13/03/838241303.db2.gz RZTDNJIOFDQMGU-SKDRFNHKSA-N 1 0 386.311 3.704 20 30 GHEDRO Cc1cc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541190747 838248766 /nfs/dbraw/zinc/24/87/66/838248766.db2.gz UFOJJACRYNDYTF-UHFFFAOYSA-N 1 0 384.399 3.747 20 30 GHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(F)cc3C#N)CC2)cc1 ZINC000177927556 838249735 /nfs/dbraw/zinc/24/97/35/838249735.db2.gz KAOPMTBWGPPCHH-UHFFFAOYSA-N 1 0 396.466 3.740 20 30 GHEDRO N#CCCN(Cc1ccccn1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415954592 838315894 /nfs/dbraw/zinc/31/58/94/838315894.db2.gz KSYIIBVVNUMKDK-UHFFFAOYSA-N 1 0 377.370 3.507 20 30 GHEDRO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000415962630 838323001 /nfs/dbraw/zinc/32/30/01/838323001.db2.gz XHOJOFXXPUXXLR-GOSISDBHSA-N 1 0 395.482 3.597 20 30 GHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610321307 838420658 /nfs/dbraw/zinc/42/06/58/838420658.db2.gz PMJWYFWSPKTXCX-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO CC(C)(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000041465763 838492162 /nfs/dbraw/zinc/49/21/62/838492162.db2.gz NNCGRUWOZFIZMZ-IBGZPJMESA-O 1 0 397.564 3.979 20 30 GHEDRO CC(C)(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000041465765 838492354 /nfs/dbraw/zinc/49/23/54/838492354.db2.gz NNCGRUWOZFIZMZ-LJQANCHMSA-O 1 0 397.564 3.979 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610348362 838591545 /nfs/dbraw/zinc/59/15/45/838591545.db2.gz HSFFAMOMQZRTKL-SFHVURJKSA-N 1 0 394.519 3.839 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000610349751 838605795 /nfs/dbraw/zinc/60/57/95/838605795.db2.gz VGLGFHYRAOWRIT-XMSQKQJNSA-N 1 0 378.520 3.872 20 30 GHEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(C#N)s1)C(C)C ZINC000414546869 838618559 /nfs/dbraw/zinc/61/85/59/838618559.db2.gz GLEDQXFSXWVVLO-OAHLLOKOSA-N 1 0 376.547 3.992 20 30 GHEDRO C[NH+](C)[C@@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000416151243 838638510 /nfs/dbraw/zinc/63/85/10/838638510.db2.gz OWPVXFKKLNHWIR-QFIPXVFZSA-N 1 0 377.488 3.621 20 30 GHEDRO COc1ccc(C#N)cc1C[NH2+]C(C)(C)COc1ncccc1Br ZINC000181517826 838669516 /nfs/dbraw/zinc/66/95/16/838669516.db2.gz NKUVLQOIFBUFJV-UHFFFAOYSA-N 1 0 390.281 3.672 20 30 GHEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(Cl)cc1 ZINC000163660678 838691313 /nfs/dbraw/zinc/69/13/13/838691313.db2.gz YBZVPNRJOFCTTD-OAQYLSRUSA-N 1 0 397.906 3.539 20 30 GHEDRO CC1(C)C[C@@H](Oc2c(Br)cc(C#N)cc2Br)CC[NH2+]1 ZINC001218477506 838780154 /nfs/dbraw/zinc/78/01/54/838780154.db2.gz ZDWLUSLBUHPMJT-JTQLQIEISA-N 1 0 388.103 3.993 20 30 GHEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000541265889 838805798 /nfs/dbraw/zinc/80/57/98/838805798.db2.gz SPJVIIFHXNNPSH-UHFFFAOYSA-N 1 0 399.494 3.999 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000045756406 838871286 /nfs/dbraw/zinc/87/12/86/838871286.db2.gz BMQCCNBKZXLQEE-UHFFFAOYSA-N 1 0 378.476 3.684 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000580105910 838879932 /nfs/dbraw/zinc/87/99/32/838879932.db2.gz ZMZZMPJJTOSUCH-NZSAHSFTSA-N 1 0 383.517 3.889 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3ccccc3OC)C2)c(OC)c1 ZINC000158054016 844376544 /nfs/dbraw/zinc/37/65/44/844376544.db2.gz ISRJLHKMWZTBIA-PMACEKPBSA-N 1 0 397.515 3.662 20 30 GHEDRO C[C@H](SCC1CC[NH2+]CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000579470419 838986992 /nfs/dbraw/zinc/98/69/92/838986992.db2.gz HUNQCXYKHBLMEA-ZDUSSCGKSA-N 1 0 377.579 3.948 20 30 GHEDRO CO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)[C@@H](C[NH3+])C1 ZINC000415026407 839078278 /nfs/dbraw/zinc/07/82/78/839078278.db2.gz UGEGQZFOXWSBLE-MJGOQNOKSA-N 1 0 394.475 3.629 20 30 GHEDRO C[N@@H+]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 ZINC000181585910 839134930 /nfs/dbraw/zinc/13/49/30/839134930.db2.gz DHJYZIIYKARBCG-UHFFFAOYSA-N 1 0 398.894 3.960 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000415075333 839162620 /nfs/dbraw/zinc/16/26/20/839162620.db2.gz BKJWOQKCHZSAFT-WMLDXEAASA-N 1 0 380.448 3.621 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415082429 839177212 /nfs/dbraw/zinc/17/72/12/839177212.db2.gz LSMMLWAQWQENIE-APWZRJJASA-N 1 0 394.475 3.998 20 30 GHEDRO Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000580443090 839569337 /nfs/dbraw/zinc/56/93/37/839569337.db2.gz IKKOINVPPVWWEK-INIZCTEOSA-N 1 0 379.439 3.648 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548097117 839572160 /nfs/dbraw/zinc/57/21/60/839572160.db2.gz JKINPKDXUCVSNU-HXUWFJFHSA-N 1 0 375.538 3.718 20 30 GHEDRO C[C@@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894064691 844453170 /nfs/dbraw/zinc/45/31/70/844453170.db2.gz VKKVZOZGXZSRHW-VQIMIIECSA-N 1 0 382.533 3.672 20 30 GHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000471582536 839651075 /nfs/dbraw/zinc/65/10/75/839651075.db2.gz WJMWWSJGWPJLHZ-FQEVSTJZSA-N 1 0 391.515 3.798 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)c1C#N ZINC000580686912 840006695 /nfs/dbraw/zinc/00/66/95/840006695.db2.gz VNHGXXOGGSCQSI-FPOVZHCZSA-N 1 0 384.524 3.577 20 30 GHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000247284656 840090591 /nfs/dbraw/zinc/09/05/91/840090591.db2.gz GBVVCEMGCGADCI-VGOFRKELSA-N 1 0 377.488 3.549 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000134319490 840205385 /nfs/dbraw/zinc/20/53/85/840205385.db2.gz MMKYZQFEZUIWMU-UHFFFAOYSA-N 1 0 383.517 3.756 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1O2 ZINC000122974324 840212389 /nfs/dbraw/zinc/21/23/89/840212389.db2.gz GRJAORLHDSMCBE-LJQANCHMSA-N 1 0 395.890 3.930 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048149556 840303874 /nfs/dbraw/zinc/30/38/74/840303874.db2.gz AAIMZLWJRSTOLF-GOSISDBHSA-N 1 0 398.532 3.623 20 30 GHEDRO C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509728281 840329990 /nfs/dbraw/zinc/32/99/90/840329990.db2.gz IPJDMKZMXVOXJM-GCJKJVERSA-N 1 0 376.504 3.658 20 30 GHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000127593620 840455701 /nfs/dbraw/zinc/45/57/01/840455701.db2.gz PREMLLKLSGIUTD-JKSUJKDBSA-N 1 0 379.460 3.801 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1cccc(C)c1 ZINC000186971091 840555164 /nfs/dbraw/zinc/55/51/64/840555164.db2.gz JWQUODDLBZLFTI-UHFFFAOYSA-O 1 0 386.497 3.908 20 30 GHEDRO N#C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1c(Cl)cccc1Cl ZINC000581020974 840597301 /nfs/dbraw/zinc/59/73/01/840597301.db2.gz PWYXJOQJJWROCX-CJNGLKHVSA-N 1 0 398.359 3.892 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nnc1[C@]1(C)CCCO1 ZINC000651544466 840664601 /nfs/dbraw/zinc/66/46/01/840664601.db2.gz YZRMDWUVMYFORU-REWPJTCUSA-N 1 0 395.551 3.591 20 30 GHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000187381160 840743645 /nfs/dbraw/zinc/74/36/45/840743645.db2.gz UVJOLVYQUCRPRG-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000584751596 840767302 /nfs/dbraw/zinc/76/73/02/840767302.db2.gz AVGBMOWBKFSSFS-IRXDYDNUSA-N 1 0 378.398 3.803 20 30 GHEDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417371287 840786945 /nfs/dbraw/zinc/78/69/45/840786945.db2.gz UHZMCAYPUWVXEX-MGPUTAFESA-N 1 0 383.517 3.551 20 30 GHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417378324 840790838 /nfs/dbraw/zinc/79/08/38/840790838.db2.gz FCEPMQNUZBRJOR-QRWLVFNGSA-N 1 0 393.487 3.960 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000511797994 840801600 /nfs/dbraw/zinc/80/16/00/840801600.db2.gz XVIVJXKEPLLKSO-NQIIRXRSSA-N 1 0 391.515 3.523 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511825736 840873390 /nfs/dbraw/zinc/87/33/90/840873390.db2.gz YKTLEIOEMKFYLT-LMMKCTJWSA-N 1 0 381.442 3.986 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@@H+]1Cc1ccccc1 ZINC000581225322 840884929 /nfs/dbraw/zinc/88/49/29/840884929.db2.gz HQVXOSMVLIBGDJ-OXQOHEQNSA-N 1 0 386.455 3.606 20 30 GHEDRO CN(CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H]1CCSC1 ZINC000124532521 840989856 /nfs/dbraw/zinc/98/98/56/840989856.db2.gz RRBCWJXCSRMQEB-INIZCTEOSA-N 1 0 385.464 3.865 20 30 GHEDRO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C2(CCCCC2)C1 ZINC000610496898 841150123 /nfs/dbraw/zinc/15/01/23/841150123.db2.gz FGGPAADTAUIGGC-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO C=C[C@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1 ZINC000536224084 841220907 /nfs/dbraw/zinc/22/09/07/841220907.db2.gz DCGZPJPOKYLMFD-GOSISDBHSA-N 1 0 378.520 3.910 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510424359 841359987 /nfs/dbraw/zinc/35/99/87/841359987.db2.gz KFXSASFKJGKCTG-PKOBYXMFSA-N 1 0 394.544 3.948 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc2c(c1)CCCC2 ZINC000027316125 841380181 /nfs/dbraw/zinc/38/01/81/841380181.db2.gz CQZNOXSHCKHZSU-UHFFFAOYSA-O 1 0 395.548 3.726 20 30 GHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000661119739 841415997 /nfs/dbraw/zinc/41/59/97/841415997.db2.gz XKTDCTHXWCCFGA-RXVVDRJESA-N 1 0 383.536 3.588 20 30 GHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000500094490 841420601 /nfs/dbraw/zinc/42/06/01/841420601.db2.gz QVWVHPHCNJXFBP-UHFFFAOYSA-N 1 0 383.883 3.987 20 30 GHEDRO Cc1ccccc1C[N@@H+](Cc1ccccn1)C[C@H](O)COc1ccccc1C#N ZINC000599431535 861203479 /nfs/dbraw/zinc/20/34/79/861203479.db2.gz JRZAEEOYGCOQSX-QHCPKHFHSA-N 1 0 387.483 3.704 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(CCc3ccc(F)cc3F)CC2)CCOCC1 ZINC000599453839 861207969 /nfs/dbraw/zinc/20/79/69/861207969.db2.gz CGPOFDJXELQXCN-HXUWFJFHSA-N 1 0 392.490 3.681 20 30 GHEDRO C#Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](CCC)CC3)c(Cl)c2)nc1 ZINC000728816430 841530967 /nfs/dbraw/zinc/53/09/67/841530967.db2.gz KKEBQCWRTKGJEH-UHFFFAOYSA-N 1 0 382.895 3.501 20 30 GHEDRO N#Cc1cc(Cl)cc(Br)c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000584539732 841539552 /nfs/dbraw/zinc/53/95/52/841539552.db2.gz BRLFFVBZALZEHL-OAHLLOKOSA-N 1 0 398.732 3.665 20 30 GHEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(NC([O-])=[NH+]c2ccccc2)c1 ZINC000329260037 861216567 /nfs/dbraw/zinc/21/65/67/861216567.db2.gz CRWPZLWXGPWCAH-HOTGVXAUSA-N 1 0 381.480 3.914 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000045611778 841726234 /nfs/dbraw/zinc/72/62/34/841726234.db2.gz ZWBNGJCYYZKDNJ-INIZCTEOSA-N 1 0 395.450 3.721 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2nc(C)oc2C)cc1OC ZINC000500253317 841749318 /nfs/dbraw/zinc/74/93/18/841749318.db2.gz XRIPNVAEHZZEBN-UHFFFAOYSA-N 1 0 395.297 3.960 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000157833194 841832542 /nfs/dbraw/zinc/83/25/42/841832542.db2.gz WFHQXIKUAGHGTI-YOEHRIQHSA-N 1 0 390.434 3.640 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000477302361 841973723 /nfs/dbraw/zinc/97/37/23/841973723.db2.gz MMTZVXJEIMHJNK-NRFANRHFSA-N 1 0 377.488 3.612 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC000066905022 842089656 /nfs/dbraw/zinc/08/96/56/842089656.db2.gz YGEVOAFUMVUMHU-QFIPXVFZSA-N 1 0 388.467 3.667 20 30 GHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000481394390 861269350 /nfs/dbraw/zinc/26/93/50/861269350.db2.gz VLLXDANGNJTCEI-BEFAXECRSA-N 1 0 377.916 3.690 20 30 GHEDRO C=CCC1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCCCC1 ZINC001126136032 842139818 /nfs/dbraw/zinc/13/98/18/842139818.db2.gz UYYIWLIGJWEUTD-UHFFFAOYSA-N 1 0 383.536 3.977 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)c3[nH]cnc3C(=O)c3ccccc3)CC2)CC1 ZINC000329318198 861279788 /nfs/dbraw/zinc/27/97/88/861279788.db2.gz DHOFBDJIJQTDDK-UHFFFAOYSA-N 1 0 394.519 3.988 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCCC[C@H]2CCO)sc2c1CCCCC2 ZINC000585754922 842261808 /nfs/dbraw/zinc/26/18/08/842261808.db2.gz RGXKPOYGLIOKPJ-INIZCTEOSA-N 1 0 389.565 3.844 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCCC1 ZINC000891532743 842262510 /nfs/dbraw/zinc/26/25/10/842262510.db2.gz KZUXKWIUTBHAIE-IBGZPJMESA-N 1 0 398.532 3.607 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000152696139 842307561 /nfs/dbraw/zinc/30/75/61/842307561.db2.gz OMDGJEGWVKMPFJ-HXUWFJFHSA-N 1 0 383.879 3.918 20 30 GHEDRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598585383 842508868 /nfs/dbraw/zinc/50/88/68/842508868.db2.gz BUNYKGUIAIQHQK-XXBNENTESA-N 1 0 394.515 3.952 20 30 GHEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188187461 842560359 /nfs/dbraw/zinc/56/03/59/842560359.db2.gz QWOSNLWLHHSWEP-KRWDZBQOSA-N 1 0 396.304 3.781 20 30 GHEDRO N#CCCn1cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000093766221 842566037 /nfs/dbraw/zinc/56/60/37/842566037.db2.gz NLEIWLLUUHMUCL-LJQANCHMSA-N 1 0 392.425 3.599 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1)C(C)C ZINC000663669558 842618121 /nfs/dbraw/zinc/61/81/21/842618121.db2.gz YTNXAKXTKDIPMU-HBMCJLEFSA-N 1 0 377.573 3.676 20 30 GHEDRO C[N@@H+]1C[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000623677700 861328128 /nfs/dbraw/zinc/32/81/28/861328128.db2.gz OZUAJMCAQFRPHC-UXHICEINSA-N 1 0 386.417 3.519 20 30 GHEDRO O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328851725 842630442 /nfs/dbraw/zinc/63/04/42/842630442.db2.gz ZVEPDERQPHEJAZ-LJQANCHMSA-N 1 0 391.519 3.708 20 30 GHEDRO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000599572454 861347736 /nfs/dbraw/zinc/34/77/36/861347736.db2.gz BOQJBTPOYWEKGM-ZBFHGGJFSA-N 1 0 381.314 3.895 20 30 GHEDRO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329377844 861350674 /nfs/dbraw/zinc/35/06/74/861350674.db2.gz MEXMVLNGBSJJPA-RBUKOAKNSA-N 1 0 385.556 3.732 20 30 GHEDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000599574717 861351040 /nfs/dbraw/zinc/35/10/40/861351040.db2.gz YZPVASSCQFPRAR-KKSFZXQISA-N 1 0 380.467 3.987 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cccc(SCC#N)c3)C1)CCCC2 ZINC000430708243 842880933 /nfs/dbraw/zinc/88/09/33/842880933.db2.gz SHAXUZUHTYILHO-QGZVFWFLSA-N 1 0 380.517 3.773 20 30 GHEDRO N#Cc1ccc(OC2CCN(Cn3ccc(-c4ccc(C#N)cc4)n3)CC2)cc1 ZINC000728903478 842947743 /nfs/dbraw/zinc/94/77/43/842947743.db2.gz OWSLWFYFQBMMKO-UHFFFAOYSA-N 1 0 383.455 3.794 20 30 GHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000510591648 843000276 /nfs/dbraw/zinc/00/02/76/843000276.db2.gz MXPZXSOLBYBZCV-JOCHJYFZSA-N 1 0 391.515 3.541 20 30 GHEDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CCCCC#N)cc1 ZINC000601724031 843003595 /nfs/dbraw/zinc/00/35/95/843003595.db2.gz HGIQRSCBJYVKAM-XZOQPEGZSA-N 1 0 391.515 3.863 20 30 GHEDRO C[N@H+](CCOc1ccc(F)cc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279367520 843025787 /nfs/dbraw/zinc/02/57/87/843025787.db2.gz IHAQXBKJBVBOJE-UHFFFAOYSA-N 1 0 379.439 3.509 20 30 GHEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(N(C)C)cc1 ZINC000279446339 843061406 /nfs/dbraw/zinc/06/14/06/843061406.db2.gz SAWGMNNTIHLNGV-UHFFFAOYSA-N 1 0 388.519 3.947 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512214682 843103382 /nfs/dbraw/zinc/10/33/82/843103382.db2.gz SKNOUNDWTWJKOB-OAHLLOKOSA-N 1 0 398.315 3.968 20 30 GHEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cnc([C@H]2CCCO2)s1 ZINC000329406803 861380390 /nfs/dbraw/zinc/38/03/90/861380390.db2.gz XIPKLVLIAJIOAZ-QGZVFWFLSA-N 1 0 387.505 3.588 20 30 GHEDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000328956478 843176033 /nfs/dbraw/zinc/17/60/33/843176033.db2.gz NQRVMXUEWFGJPN-NHCUHLMSSA-N 1 0 398.551 3.644 20 30 GHEDRO C[C@H]1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000662422106 843215542 /nfs/dbraw/zinc/21/55/42/843215542.db2.gz ZHLPBBYHDFUPTJ-JOYOIKCWSA-N 1 0 386.311 3.785 20 30 GHEDRO C=CC[C@@]1(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)CCC[NH2+]1 ZINC000662472513 843303011 /nfs/dbraw/zinc/30/30/11/843303011.db2.gz NJGDTEGMWPDRNW-QFIPXVFZSA-N 1 0 397.450 3.723 20 30 GHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc2ccccc2n1CC#N ZINC000610625931 843308869 /nfs/dbraw/zinc/30/88/69/843308869.db2.gz NTVYRVFSQOOZFW-UHFFFAOYSA-N 1 0 394.441 3.901 20 30 GHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000329426327 861404478 /nfs/dbraw/zinc/40/44/78/861404478.db2.gz ITVRSAMLDOPPSD-FUHWJXTLSA-N 1 0 396.491 3.762 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@@H](c2ccc(CC)cc2)c2cccnc2)CC1 ZINC000112640862 843356707 /nfs/dbraw/zinc/35/67/07/843356707.db2.gz HCZWFKJVIIJWES-DEOSSOPVSA-N 1 0 389.543 3.927 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000510731829 843362819 /nfs/dbraw/zinc/36/28/19/843362819.db2.gz GOHVLWAAKVZXMZ-MRXNPFEDSA-N 1 0 378.476 3.525 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418662709 843511056 /nfs/dbraw/zinc/51/10/56/843511056.db2.gz UWBDITGOFDGOAB-BHIFYINESA-N 1 0 376.504 3.948 20 30 GHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000043835220 843535257 /nfs/dbraw/zinc/53/52/57/843535257.db2.gz KVSIRIMWGNEAJL-SFHVURJKSA-N 1 0 388.581 3.603 20 30 GHEDRO CS[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@@H]1[NH+](C)C ZINC000759945721 843632033 /nfs/dbraw/zinc/63/20/33/843632033.db2.gz NYLLTAILYIMBMK-PCCBWWKXSA-N 1 0 394.544 3.851 20 30 GHEDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000432789922 843830404 /nfs/dbraw/zinc/83/04/04/843830404.db2.gz AQHLFQZIIUSJQT-UHFFFAOYSA-N 1 0 391.515 3.875 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCc1nccs1 ZINC000924877245 843867793 /nfs/dbraw/zinc/86/77/93/843867793.db2.gz QHWUNKLRYXHAQK-HNNXBMFYSA-N 1 0 378.542 3.595 20 30 GHEDRO C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000481463306 861468469 /nfs/dbraw/zinc/46/84/69/861468469.db2.gz YGAVINMPJVFCQP-VQIMIIECSA-N 1 0 381.480 3.577 20 30 GHEDRO Clc1cccc(C#CCN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512474119 843933371 /nfs/dbraw/zinc/93/33/71/843933371.db2.gz HVIQRUPIXMNWGW-XMMPIXPASA-N 1 0 393.962 3.584 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1OC ZINC000512884559 843935223 /nfs/dbraw/zinc/93/52/23/843935223.db2.gz FTCGJSPFVHUUFR-UKRRQHHQSA-N 1 0 384.314 3.785 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000731112462 861473347 /nfs/dbraw/zinc/47/33/47/861473347.db2.gz JMAZTWZBWQZFCR-NRFANRHFSA-N 1 0 393.487 3.666 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000162170332 861474020 /nfs/dbraw/zinc/47/40/20/861474020.db2.gz DRNFKZIDFISTLF-HNNXBMFYSA-N 1 0 391.899 3.596 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000731114824 861475690 /nfs/dbraw/zinc/47/56/90/861475690.db2.gz OYILNVOWSQATEK-NRFANRHFSA-N 1 0 377.488 3.657 20 30 GHEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1 ZINC000512604402 844728167 /nfs/dbraw/zinc/72/81/67/844728167.db2.gz JMGUTZWRUWIASM-UHFFFAOYSA-N 1 0 393.487 3.925 20 30 GHEDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433011503 844916004 /nfs/dbraw/zinc/91/60/04/844916004.db2.gz FZTWKIDPYNXEGQ-LJQANCHMSA-N 1 0 379.460 3.745 20 30 GHEDRO O=C(C[N@@H+]1CCC[C@H]1C1CCOCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329480169 861514738 /nfs/dbraw/zinc/51/47/38/861514738.db2.gz QQKFIQUGUAWNCL-QPRVAFDKSA-N 1 0 389.540 3.717 20 30 GHEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512673215 844992477 /nfs/dbraw/zinc/99/24/77/844992477.db2.gz PPOICPHRPZGMRK-MRXNPFEDSA-N 1 0 395.478 3.590 20 30 GHEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000673735207 861534495 /nfs/dbraw/zinc/53/44/95/861534495.db2.gz VAVITGSGIDLYCI-LJQANCHMSA-N 1 0 396.535 3.679 20 30 GHEDRO Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)cc2F)n1 ZINC000329493277 861537327 /nfs/dbraw/zinc/53/73/27/861537327.db2.gz WNVOFAMYHKZGHX-MAUKXSAKSA-N 1 0 385.487 3.732 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513299129 845214461 /nfs/dbraw/zinc/21/44/61/845214461.db2.gz CMNMXCHKCMQIKO-GGAORHGYSA-N 1 0 391.515 3.742 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](OC)C1CCCC1 ZINC000657238290 845283470 /nfs/dbraw/zinc/28/34/70/845283470.db2.gz QNCLIOSOGJLZGH-GOSISDBHSA-N 1 0 378.586 3.790 20 30 GHEDRO CC(C)C1CCC([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000433159962 845533473 /nfs/dbraw/zinc/53/34/73/845533473.db2.gz TZMUOKRQHCRFNP-UHFFFAOYSA-N 1 0 379.508 3.829 20 30 GHEDRO Cc1noc([C@@H]2CCCCN2C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000329520207 861585889 /nfs/dbraw/zinc/58/58/89/861585889.db2.gz QGFZULMWVMPOKZ-MSOLQXFVSA-N 1 0 375.517 3.616 20 30 GHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179479942 861598118 /nfs/dbraw/zinc/59/81/18/861598118.db2.gz SYXFMWINJUAMLN-SFTDATJTSA-N 1 0 394.475 3.738 20 30 GHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@H](C)c2cncs2)c1C#N ZINC000934196963 845772266 /nfs/dbraw/zinc/77/22/66/845772266.db2.gz HBFDDJWUFGGYIF-OAHLLOKOSA-N 1 0 393.516 3.771 20 30 GHEDRO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)cc1 ZINC000104163290 845808521 /nfs/dbraw/zinc/80/85/21/845808521.db2.gz CXNJAKHBNIVWPI-UHFFFAOYSA-N 1 0 382.508 3.883 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431320290 845876613 /nfs/dbraw/zinc/87/66/13/845876613.db2.gz ZMYHPIKEXDCYPN-YADHBBJMSA-N 1 0 397.563 3.665 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414541133 846447233 /nfs/dbraw/zinc/44/72/33/846447233.db2.gz PVVCKCSITUQFSC-CTNGQTDRSA-N 1 0 395.551 3.807 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000551718054 846487697 /nfs/dbraw/zinc/48/76/97/846487697.db2.gz MWPWHNNAUYYUSR-LJQANCHMSA-N 1 0 399.292 3.785 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1C#N ZINC000419398434 846521866 /nfs/dbraw/zinc/52/18/66/846521866.db2.gz WZWJWLHAHLRZCS-ZOBUZTSGSA-N 1 0 382.508 3.923 20 30 GHEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cnc(-c4ccncc4)s3)CC2)cc1 ZINC000552013074 846647244 /nfs/dbraw/zinc/64/72/44/846647244.db2.gz FHIFSMGOLRDYTP-UHFFFAOYSA-N 1 0 389.528 3.785 20 30 GHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000419611665 846698845 /nfs/dbraw/zinc/69/88/45/846698845.db2.gz KXEGFPZKBGIRPU-VXKWHMMOSA-N 1 0 392.503 3.546 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000414563419 846750617 /nfs/dbraw/zinc/75/06/17/846750617.db2.gz BRRULJQRJZBKDU-OAQYLSRUSA-N 1 0 389.478 3.971 20 30 GHEDRO COc1cc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c(F)cc1C#N ZINC000599816977 861718639 /nfs/dbraw/zinc/71/86/39/861718639.db2.gz QHUTYIDQGJBAPJ-UHFFFAOYSA-N 1 0 388.487 3.871 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599818362 861720046 /nfs/dbraw/zinc/72/00/46/861720046.db2.gz YDENMSWFEVHXEW-UHFFFAOYSA-N 1 0 384.455 3.822 20 30 GHEDRO C=CCC[C@@H](NC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422178830 846877276 /nfs/dbraw/zinc/87/72/76/846877276.db2.gz DDAYOPPHPBAHLZ-HSZRJFAPSA-N 1 0 398.595 3.896 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1CCC#N ZINC000272100580 846990763 /nfs/dbraw/zinc/99/07/63/846990763.db2.gz OPYZSFCOULGCMJ-KRWDZBQOSA-N 1 0 394.523 3.801 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513719885 847134739 /nfs/dbraw/zinc/13/47/39/847134739.db2.gz FVQXYVSEICAMHU-OAQYLSRUSA-N 1 0 377.488 3.741 20 30 GHEDRO CCSc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000501757037 847167067 /nfs/dbraw/zinc/16/70/67/847167067.db2.gz VDDPFJUUBQWIEL-UHFFFAOYSA-N 1 0 381.545 3.803 20 30 GHEDRO CC1(C#N)CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272995694 847223634 /nfs/dbraw/zinc/22/36/34/847223634.db2.gz NSSGWSYHUZNPDM-IBGZPJMESA-N 1 0 379.426 3.593 20 30 GHEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Cc4ccccc4F)CC3)C2=O)cc1 ZINC000562046235 847248580 /nfs/dbraw/zinc/24/85/80/847248580.db2.gz CQGOYSNQOWIPIL-QFIPXVFZSA-N 1 0 377.463 3.757 20 30 GHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(C)=O)c1)c1ccc(F)c(F)c1 ZINC000187762433 847292030 /nfs/dbraw/zinc/29/20/30/847292030.db2.gz BABBWZVKKNCOTE-DYESRHJHSA-N 1 0 375.415 3.814 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000183336161 847295574 /nfs/dbraw/zinc/29/55/74/847295574.db2.gz NBJDYPMWWNRBFW-QUCCMNQESA-N 1 0 375.472 3.907 20 30 GHEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000420670977 847362656 /nfs/dbraw/zinc/36/26/56/847362656.db2.gz ZVYYCOAWLCIXKY-UHFFFAOYSA-N 1 0 391.581 3.799 20 30 GHEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511135172 847372652 /nfs/dbraw/zinc/37/26/52/847372652.db2.gz FFYJYHNUSVKILN-QGZVFWFLSA-N 1 0 392.425 3.541 20 30 GHEDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1O ZINC000176680184 847489285 /nfs/dbraw/zinc/48/92/85/847489285.db2.gz FAQNATOPKWBTCK-SBUREZEXSA-N 1 0 377.488 3.764 20 30 GHEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420917562 847538483 /nfs/dbraw/zinc/53/84/83/847538483.db2.gz SOQRBUKMUNGOCB-DNQXCXABSA-N 1 0 375.516 3.791 20 30 GHEDRO C[C@@H](c1nc(-c2cccs2)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000502161531 847540478 /nfs/dbraw/zinc/54/04/78/847540478.db2.gz XZGKVSLDTXWBPR-INIZCTEOSA-N 1 0 393.516 3.939 20 30 GHEDRO CC[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000261831551 847563111 /nfs/dbraw/zinc/56/31/11/847563111.db2.gz VJZXVHLIFNDWJV-CWVYHPPDSA-N 1 0 375.479 3.724 20 30 GHEDRO N#CCC1CC[NH+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 ZINC000611622913 847630008 /nfs/dbraw/zinc/63/00/08/847630008.db2.gz XPULWVBEUMIFLW-UHFFFAOYSA-N 1 0 382.533 3.772 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC=C(c2ccc(O)cc2)CC1)C(C)C ZINC000503389906 847648064 /nfs/dbraw/zinc/64/80/64/847648064.db2.gz INPGNANCEOONFM-QFIPXVFZSA-N 1 0 383.536 3.890 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)C(C)C ZINC000503405535 847669403 /nfs/dbraw/zinc/66/94/03/847669403.db2.gz JGTYVTFKKKMGMZ-JOCHJYFZSA-N 1 0 397.563 3.990 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000479542600 847711360 /nfs/dbraw/zinc/71/13/60/847711360.db2.gz KQEQDFMAIHENHL-UHFFFAOYSA-N 1 0 377.513 3.877 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000502363505 847804417 /nfs/dbraw/zinc/80/44/17/847804417.db2.gz FAWUKLUKWVCOCM-UHFFFAOYSA-N 1 0 397.567 3.856 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000503859462 847972331 /nfs/dbraw/zinc/97/23/31/847972331.db2.gz SRMZDFMVVQBBSN-MMPATGFWSA-N 1 0 389.499 3.620 20 30 GHEDRO CC1CC[NH+](C2CCC([NH+]=C([O-])N3CC[C@@H](n4cc(Cl)cn4)C3)CC2)CC1 ZINC000329648229 861897441 /nfs/dbraw/zinc/89/74/41/861897441.db2.gz JHQLKOBMPJITTO-CTWPCTMYSA-N 1 0 393.963 3.740 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000548770682 848402560 /nfs/dbraw/zinc/40/25/60/848402560.db2.gz WHOYYVRQGJPABY-XMSQKQJNSA-N 1 0 377.488 3.926 20 30 GHEDRO Cn1c(CC2CCCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000582814309 848452795 /nfs/dbraw/zinc/45/27/95/848452795.db2.gz YIBHFXLKGPXNOI-UHFFFAOYSA-N 1 0 392.551 3.522 20 30 GHEDRO C=CCc1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc(OC)c1O ZINC000192354954 861925662 /nfs/dbraw/zinc/92/56/62/861925662.db2.gz FJLHYQRHGCFFGI-JOCHJYFZSA-N 1 0 396.531 3.510 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000161915614 848771395 /nfs/dbraw/zinc/77/13/95/848771395.db2.gz HNPQPNFXBQVOHM-UHFFFAOYSA-N 1 0 391.515 3.760 20 30 GHEDRO CC(C)[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000481652077 861952157 /nfs/dbraw/zinc/95/21/57/861952157.db2.gz CEDKRXKLPUCPGM-OAQYLSRUSA-N 1 0 380.467 3.902 20 30 GHEDRO C[C@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CCOCC1)c1ccccc1 ZINC000166642857 848897686 /nfs/dbraw/zinc/89/76/86/848897686.db2.gz ZLPWRPVAZLHSDT-INIZCTEOSA-N 1 0 380.448 3.778 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1Cl ZINC000657746866 849521697 /nfs/dbraw/zinc/52/16/97/849521697.db2.gz DEKFWCDNMQPXLF-WOJBJXKFSA-N 1 0 376.928 3.638 20 30 GHEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329682931 862052566 /nfs/dbraw/zinc/05/25/66/862052566.db2.gz XODXAFDXONWZDM-WMQCIHAUSA-N 1 0 397.567 3.978 20 30 GHEDRO C=CCc1cc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc(OC)c1OC ZINC000423125657 849751182 /nfs/dbraw/zinc/75/11/82/849751182.db2.gz NSWSKLCLYQZZIY-NRFANRHFSA-N 1 0 382.504 3.775 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000572964281 849764047 /nfs/dbraw/zinc/76/40/47/849764047.db2.gz DIACCLHMQXKRBE-SFHVURJKSA-N 1 0 388.431 3.631 20 30 GHEDRO CCCOc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC ZINC000503925637 849765386 /nfs/dbraw/zinc/76/53/86/849765386.db2.gz HOTAYJHYPNZAON-FQEVSTJZSA-N 1 0 393.487 3.641 20 30 GHEDRO CCOc1ccc2nc(NC(=O)CN3CCC4(CCC[N@@H+]4C)CC3)sc2c1 ZINC000329685345 862056219 /nfs/dbraw/zinc/05/62/19/862056219.db2.gz ZWZVJAHLTXJPMC-UHFFFAOYSA-N 1 0 388.537 3.843 20 30 GHEDRO N#Cc1cccc(C2(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)c1 ZINC000435009752 849990470 /nfs/dbraw/zinc/99/04/70/849990470.db2.gz UEXOFRULELYNLT-UHFFFAOYSA-N 1 0 391.540 3.820 20 30 GHEDRO C[NH+](C)C[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000600472741 862087977 /nfs/dbraw/zinc/08/79/77/862087977.db2.gz PINUUYQQHFFOER-SFHVURJKSA-N 1 0 376.287 3.827 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCCO)Cc2ccccc2)sc2c1CCCC2 ZINC000486793997 850100275 /nfs/dbraw/zinc/10/02/75/850100275.db2.gz KSPLUOKDBVGFQT-UHFFFAOYSA-N 1 0 397.544 3.712 20 30 GHEDRO N#CCCn1cc(CN2CC[NH+](CC3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000435128976 850109909 /nfs/dbraw/zinc/10/99/09/850109909.db2.gz HMXOOWWNWPTBTE-UHFFFAOYSA-N 1 0 392.551 3.557 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469448468 850116897 /nfs/dbraw/zinc/11/68/97/850116897.db2.gz POJFQSVDRSTOJO-VFNWGFHPSA-N 1 0 377.479 3.662 20 30 GHEDRO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000424090659 850213404 /nfs/dbraw/zinc/21/34/04/850213404.db2.gz MOBBOTVJFSRFRZ-HNAYVOBHSA-N 1 0 379.464 3.529 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000424114230 850227552 /nfs/dbraw/zinc/22/75/52/850227552.db2.gz QJPRQOOZSUCIIF-GOSISDBHSA-N 1 0 391.519 3.925 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000424117692 850230982 /nfs/dbraw/zinc/23/09/82/850230982.db2.gz BPTMWTPOERPEMG-MOPGFXCFSA-N 1 0 389.613 3.981 20 30 GHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000424130812 850257806 /nfs/dbraw/zinc/25/78/06/850257806.db2.gz VJNRUQDHZSUGGH-MJGOQNOKSA-N 1 0 383.565 3.743 20 30 GHEDRO C=CC[C@@H]1N(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CCCC1(C)C ZINC000435295796 850339584 /nfs/dbraw/zinc/33/95/84/850339584.db2.gz CKWVWSMGMGTOIG-MOPGFXCFSA-N 1 0 399.535 3.604 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000505675359 850407644 /nfs/dbraw/zinc/40/76/44/850407644.db2.gz VHSOXTRQROYNIB-MJGOQNOKSA-N 1 0 383.536 3.513 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)cc1C#N ZINC000518972017 850427119 /nfs/dbraw/zinc/42/71/19/850427119.db2.gz HDJWKXOBFMKSGA-GOSISDBHSA-N 1 0 395.478 3.624 20 30 GHEDRO C=CC[C@@H](CO)NC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000514889754 850436106 /nfs/dbraw/zinc/43/61/06/850436106.db2.gz BXVGRAJUJXOJCL-SFTDATJTSA-N 1 0 389.540 3.525 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424417453 850449175 /nfs/dbraw/zinc/44/91/75/850449175.db2.gz LWDMTQXBKQBSLA-TZIWHRDSSA-N 1 0 378.476 3.837 20 30 GHEDRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000519007955 850481147 /nfs/dbraw/zinc/48/11/47/850481147.db2.gz XKWRCZUFZQZCJI-GOSISDBHSA-N 1 0 394.494 3.718 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCc4ccc(C#N)cc43)C2)c1 ZINC000515020727 850581281 /nfs/dbraw/zinc/58/12/81/850581281.db2.gz OMNXIDOIPPZOEN-HXOBKFHXSA-N 1 0 377.488 3.679 20 30 GHEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000487241735 850610807 /nfs/dbraw/zinc/61/08/07/850610807.db2.gz OENXOJFWSLNPSV-QHCPKHFHSA-N 1 0 390.531 3.993 20 30 GHEDRO CC(C)CN(Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccc(C#N)cc1 ZINC000425392110 850629328 /nfs/dbraw/zinc/62/93/28/850629328.db2.gz AJHZDQUKRNVZEI-UHFFFAOYSA-N 1 0 391.562 3.528 20 30 GHEDRO C[C@@H]1CCCC[C@@H]1NC(NCCc1nnc2ccccn21)=[NH+]CC1CCCCC1 ZINC000899893582 862151975 /nfs/dbraw/zinc/15/19/75/862151975.db2.gz XFUBSHSIKRZRAE-QUCCMNQESA-N 1 0 396.583 3.966 20 30 GHEDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2c(F)cccc2C#N)c2cccs2)CC1 ZINC000505175388 850687769 /nfs/dbraw/zinc/68/77/69/850687769.db2.gz WZRCHSQJJMLVDL-IBGZPJMESA-N 1 0 385.508 3.891 20 30 GHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000515166299 850731838 /nfs/dbraw/zinc/73/18/38/850731838.db2.gz IZNPSADHALFMMH-RIFZZMRRSA-N 1 0 391.298 3.945 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000435671831 850759470 /nfs/dbraw/zinc/75/94/70/850759470.db2.gz FZIODMSECFVSIC-COPCDDAFSA-N 1 0 380.488 3.946 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000435735847 850822574 /nfs/dbraw/zinc/82/25/74/850822574.db2.gz QUTFCQMJSXGHQF-YJBOKZPZSA-N 1 0 376.298 3.706 20 30 GHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000435742093 850827716 /nfs/dbraw/zinc/82/77/16/850827716.db2.gz SJODZYSQYSICCS-IINYFYTJSA-N 1 0 390.119 3.677 20 30 GHEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)[C@@H]2C1 ZINC000425061067 850899724 /nfs/dbraw/zinc/89/97/24/850899724.db2.gz XTSKUCDOSQLOLS-PKOBYXMFSA-N 1 0 377.513 3.876 20 30 GHEDRO N#Cc1cccc(CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000515418814 851003232 /nfs/dbraw/zinc/00/32/32/851003232.db2.gz DFMPFRBGFSCGGO-UHFFFAOYSA-N 1 0 376.504 3.586 20 30 GHEDRO N#Cc1ncc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1Cl ZINC000515427193 851010366 /nfs/dbraw/zinc/01/03/66/851010366.db2.gz PLCXLSAWCMSSDM-IRXDYDNUSA-N 1 0 395.894 3.592 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000604439133 862206385 /nfs/dbraw/zinc/20/63/85/862206385.db2.gz NACAMBAQDQSKAU-OAHLLOKOSA-N 1 0 386.565 3.937 20 30 GHEDRO C[C@@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000329715457 862208836 /nfs/dbraw/zinc/20/88/36/862208836.db2.gz VABLOVKFPNCFIM-GOSISDBHSA-N 1 0 398.551 3.557 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000440399347 851158550 /nfs/dbraw/zinc/15/85/50/851158550.db2.gz QRPINWJEDNDJKZ-DENIHFKCSA-N 1 0 391.515 3.879 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@H]1OCCc2ccccc21)C(C)C ZINC000514073702 851194130 /nfs/dbraw/zinc/19/41/30/851194130.db2.gz BLQHISDINKGMSP-FGZHOGPDSA-N 1 0 385.552 3.640 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+]1CCC(C)CC1 ZINC000604474990 862217570 /nfs/dbraw/zinc/21/75/70/862217570.db2.gz IVKWXEZEQYBHSH-QGZVFWFLSA-N 1 0 393.491 3.987 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000509613476 851217831 /nfs/dbraw/zinc/21/78/31/851217831.db2.gz MEQGFELDBWGUPE-PXNSSMCTSA-N 1 0 380.492 3.978 20 30 GHEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccs1 ZINC000514112543 851252300 /nfs/dbraw/zinc/25/23/00/851252300.db2.gz GMAGNMNNHZBVKQ-UHFFFAOYSA-N 1 0 377.897 3.750 20 30 GHEDRO C=CCCCCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000488199990 851263157 /nfs/dbraw/zinc/26/31/57/851263157.db2.gz OLIVRPJFTZLMOY-UHFFFAOYSA-N 1 0 394.357 3.752 20 30 GHEDRO C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000488376539 851442566 /nfs/dbraw/zinc/44/25/66/851442566.db2.gz DPGWOCPANUVLJZ-SFHVURJKSA-N 1 0 375.513 3.988 20 30 GHEDRO C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000110843679 851461261 /nfs/dbraw/zinc/46/12/61/851461261.db2.gz QOLVVSQVVSHGQU-HSZRJFAPSA-N 1 0 393.556 3.880 20 30 GHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000425132767 851473648 /nfs/dbraw/zinc/47/36/48/851473648.db2.gz RMFLSDWRFQFBDH-IBGZPJMESA-N 1 0 390.531 3.922 20 30 GHEDRO COc1cc(C)c([C@@H](C)NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425529016 851559416 /nfs/dbraw/zinc/55/94/16/851559416.db2.gz AIMXNNXJEKSWBT-SJORKVTESA-N 1 0 395.503 3.754 20 30 GHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000505814897 851597183 /nfs/dbraw/zinc/59/71/83/851597183.db2.gz YHMKCGAXEMLCGE-JOCHJYFZSA-N 1 0 391.515 3.697 20 30 GHEDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000329741936 862285013 /nfs/dbraw/zinc/28/50/13/862285013.db2.gz PAEMBUDBPWMMOJ-HXUWFJFHSA-N 1 0 385.552 3.801 20 30 GHEDRO COc1ccccc1C[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000185879408 862286333 /nfs/dbraw/zinc/28/63/33/862286333.db2.gz MAAYNKZTTOTHFN-DNVCBOLYSA-N 1 0 383.492 3.961 20 30 GHEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000120805662 851813837 /nfs/dbraw/zinc/81/38/37/851813837.db2.gz CFTDSIBNYYNPNX-MRXNPFEDSA-N 1 0 382.357 3.588 20 30 GHEDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000111770489 851926264 /nfs/dbraw/zinc/92/62/64/851926264.db2.gz IRZRXHXMGHLGOI-UHFFFAOYSA-N 1 0 384.483 3.865 20 30 GHEDRO CC[NH+]=C(NCCc1ccc2ccccc2n1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261937283 851932081 /nfs/dbraw/zinc/93/20/81/851932081.db2.gz CSAJRNPCYLTJQV-PGRDOPGGSA-N 1 0 390.535 3.522 20 30 GHEDRO CCCc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cnn1-c1cccc(F)c1 ZINC000329764058 862302812 /nfs/dbraw/zinc/30/28/12/862302812.db2.gz VHXOURCSSWMSJL-MJGOQNOKSA-N 1 0 385.487 3.917 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329764775 862304737 /nfs/dbraw/zinc/30/47/37/862304737.db2.gz WDJYVMBYNCPXIU-DLBZAZTESA-N 1 0 380.492 3.546 20 30 GHEDRO C=CCn1c(C2CCCC2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570320743 851984506 /nfs/dbraw/zinc/98/45/06/851984506.db2.gz XEFUYLBIESZMFM-OYRHEFFESA-N 1 0 377.536 3.690 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)CC1 ZINC000489187746 852101542 /nfs/dbraw/zinc/10/15/42/852101542.db2.gz ZOEWUTYFOLFAOR-FQEVSTJZSA-N 1 0 391.531 3.959 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000329791678 862323989 /nfs/dbraw/zinc/32/39/89/862323989.db2.gz DXFZSZYPDNRWKK-LULLPPNCSA-N 1 0 388.508 3.697 20 30 GHEDRO CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000329802337 862330318 /nfs/dbraw/zinc/33/03/18/862330318.db2.gz KHJGRPUXSLVAFA-FCEWJHQRSA-N 1 0 392.569 3.876 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000108514869 852200440 /nfs/dbraw/zinc/20/04/40/852200440.db2.gz ROQAHASFCBKZPX-GOSISDBHSA-N 1 0 396.466 3.740 20 30 GHEDRO Cc1cccc(C[NH+]2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000028881778 852206189 /nfs/dbraw/zinc/20/61/89/852206189.db2.gz MUTHQJCMAOIWKW-UHFFFAOYSA-N 1 0 396.922 3.667 20 30 GHEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000425609634 852206962 /nfs/dbraw/zinc/20/69/62/852206962.db2.gz KKTBMRYOPLLOBI-FUHWJXTLSA-N 1 0 394.441 3.615 20 30 GHEDRO CC(C)[NH+](CCN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C(C)C ZINC000505874436 852265606 /nfs/dbraw/zinc/26/56/06/852265606.db2.gz JIMMJKCWNQMDRX-GOSISDBHSA-N 1 0 376.520 3.511 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000516237835 852310078 /nfs/dbraw/zinc/31/00/78/852310078.db2.gz NTXRKLPUXFICPT-JRJVTICQSA-N 1 0 389.927 3.802 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000519589295 852563222 /nfs/dbraw/zinc/56/32/22/852563222.db2.gz PDLNVJVOQSQNLE-ZDUSSCGKSA-N 1 0 397.841 3.826 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000329854230 862375204 /nfs/dbraw/zinc/37/52/04/862375204.db2.gz WDKJTWVOJFJFTF-CILWKZBWSA-N 1 0 391.924 3.708 20 30 GHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438639473 852660571 /nfs/dbraw/zinc/66/05/71/852660571.db2.gz WKJWKMQBICNZDC-KRWDZBQOSA-N 1 0 390.409 3.871 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1CCC1CCCC1 ZINC000669032233 852768001 /nfs/dbraw/zinc/76/80/01/852768001.db2.gz DQHYVNVEFARGIK-NJYVYQBISA-N 1 0 399.583 3.939 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC[C@@H]1CC1CCC1 ZINC000669032105 852768892 /nfs/dbraw/zinc/76/88/92/852768892.db2.gz AGMKMIYVDCEBQF-AQNXPRMDSA-N 1 0 385.556 3.549 20 30 GHEDRO N#Cc1cccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000151205916 852784832 /nfs/dbraw/zinc/78/48/32/852784832.db2.gz HVVRZRQEGYCZQH-OAHLLOKOSA-N 1 0 380.801 3.994 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(CCC(C)C)CC1 ZINC000669033147 852790926 /nfs/dbraw/zinc/79/09/26/852790926.db2.gz IGXVXCXJFSFHBA-UXHICEINSA-N 1 0 387.572 3.652 20 30 GHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000426140198 852815179 /nfs/dbraw/zinc/81/51/79/852815179.db2.gz ONVMHKJRWJCLLS-UHFFFAOYSA-N 1 0 386.883 3.516 20 30 GHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000506353242 852833641 /nfs/dbraw/zinc/83/36/41/852833641.db2.gz CXVYXYMNFWNTSO-SFHVURJKSA-N 1 0 393.535 3.683 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414953252 852861549 /nfs/dbraw/zinc/86/15/49/852861549.db2.gz JMOBBJDLPDQZHS-CJNGLKHVSA-N 1 0 383.330 3.500 20 30 GHEDRO CC(C)Oc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C(N)=O ZINC000437251575 852915807 /nfs/dbraw/zinc/91/58/07/852915807.db2.gz NMNFKHGPYKFZFD-UHFFFAOYSA-N 1 0 392.503 3.521 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414957542 852928208 /nfs/dbraw/zinc/92/82/08/852928208.db2.gz PYGLZYCEEKNHLX-FQEVSTJZSA-N 1 0 380.492 3.547 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000518148110 852930067 /nfs/dbraw/zinc/93/00/67/852930067.db2.gz ZADNBVYJOODBGN-AVRDEDQJSA-N 1 0 397.544 3.545 20 30 GHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000669058262 853009611 /nfs/dbraw/zinc/00/96/11/853009611.db2.gz NPRFYIXKYZAYJM-RTWAWAEBSA-N 1 0 397.567 3.553 20 30 GHEDRO C=CC[C@H](C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000427475334 853140237 /nfs/dbraw/zinc/14/02/37/853140237.db2.gz COKKDOWPDHGXNJ-NRFANRHFSA-N 1 0 394.515 3.538 20 30 GHEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329931104 862434497 /nfs/dbraw/zinc/43/44/97/862434497.db2.gz BCJROAIUQUMOBU-OAHLLOKOSA-N 1 0 379.574 3.543 20 30 GHEDRO O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329932628 862435653 /nfs/dbraw/zinc/43/56/53/862435653.db2.gz IVFABLILLRWFQD-SJORKVTESA-N 1 0 385.443 3.515 20 30 GHEDRO Cc1oc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C#N)c1C ZINC000913244353 853194004 /nfs/dbraw/zinc/19/40/04/853194004.db2.gz KLIIGUJHODWDLY-UHFFFAOYSA-N 1 0 395.459 3.550 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000280789141 853234148 /nfs/dbraw/zinc/23/41/48/853234148.db2.gz SYXNUGVWVSSXOC-SFHVURJKSA-N 1 0 393.300 3.597 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc(OC)c1O ZINC000506482937 853279842 /nfs/dbraw/zinc/27/98/42/853279842.db2.gz VWKLSMUILWSIBT-UHFFFAOYSA-N 1 0 398.478 3.663 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000437631713 853338312 /nfs/dbraw/zinc/33/83/12/853338312.db2.gz SHTXGNISMJLQQJ-VXKWHMMOSA-N 1 0 385.552 3.699 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NCc3cnc4ccc(C#N)cn34)cc2)CC1 ZINC000151379814 853366917 /nfs/dbraw/zinc/36/69/17/853366917.db2.gz RKPRQUOPOJTHAN-UHFFFAOYSA-N 1 0 388.519 3.596 20 30 GHEDRO CC[NH+]=C(NCCc1c(C)[nH]c2ccccc21)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261976579 853377534 /nfs/dbraw/zinc/37/75/34/853377534.db2.gz NTXBXNOWLRJOLU-HTAPYJJXSA-N 1 0 392.551 3.764 20 30 GHEDRO [NH2+]=C(NCC1(c2ccc(Br)cc2)CCOCC1)NC1CCCCC1 ZINC000261979247 853419098 /nfs/dbraw/zinc/41/90/98/853419098.db2.gz HJULZRZMLJXWBP-UHFFFAOYSA-N 1 0 394.357 3.734 20 30 GHEDRO [NH2+]=C(NCc1sccc1Br)Nc1ccc2c(c1)OCCCO2 ZINC000261982159 853438221 /nfs/dbraw/zinc/43/82/21/853438221.db2.gz IJXDNUCPMNOKTP-UHFFFAOYSA-N 1 0 382.283 3.599 20 30 GHEDRO COc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000519793711 853476688 /nfs/dbraw/zinc/47/66/88/853476688.db2.gz CTOACBOIADJKFZ-YLJYHZDGSA-N 1 0 398.532 3.511 20 30 GHEDRO CC[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N1CC[C@@]2(CCOC2)C1 ZINC000261987066 853478504 /nfs/dbraw/zinc/47/85/04/853478504.db2.gz QJCXAIBCPXMXAU-GOSISDBHSA-N 1 0 378.929 3.528 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000586814083 853541265 /nfs/dbraw/zinc/54/12/65/853541265.db2.gz GUBGYULFGDUKLF-LEWJYISDSA-N 1 0 395.453 3.819 20 30 GHEDRO CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc(C#N)cc1Br ZINC000586788256 853548213 /nfs/dbraw/zinc/54/82/13/853548213.db2.gz ANZACDXWQALAJF-UHFFFAOYSA-N 1 0 376.298 3.868 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)Cc3ccc4n[nH]cc4c3)CCCCC2)CCO1 ZINC000329988137 862481366 /nfs/dbraw/zinc/48/13/66/862481366.db2.gz GTXBOHWKUMUSGM-UHFFFAOYSA-N 1 0 384.524 3.876 20 30 GHEDRO CC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(CO)c1 ZINC000055014100 853629183 /nfs/dbraw/zinc/62/91/83/853629183.db2.gz QAGANJBPESJFJW-UHFFFAOYSA-O 1 0 397.564 3.672 20 30 GHEDRO CCCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1cccc(CO)c1 ZINC000055012863 853629189 /nfs/dbraw/zinc/62/91/89/853629189.db2.gz ZXEMXZMZFBTBHL-UHFFFAOYSA-O 1 0 385.553 3.603 20 30 GHEDRO Cc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000329994868 862489979 /nfs/dbraw/zinc/48/99/79/862489979.db2.gz MORMTQSZCARPPY-OXJNMPFZSA-N 1 0 383.540 3.624 20 30 GHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c(O)c(OC)c1 ZINC000164039575 853650588 /nfs/dbraw/zinc/65/05/88/853650588.db2.gz IZDWEBIFUGJXOO-UHFFFAOYSA-N 1 0 394.515 3.832 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000570964238 853663840 /nfs/dbraw/zinc/66/38/40/853663840.db2.gz ISHHMFBZBNWILU-MRXNPFEDSA-N 1 0 394.548 3.607 20 30 GHEDRO C[N@H+](CCCOCc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000439464666 853694134 /nfs/dbraw/zinc/69/41/34/853694134.db2.gz DMJFWLGCUNHXJH-QFIPXVFZSA-N 1 0 377.488 3.592 20 30 GHEDRO N#Cc1c(C(F)F)cccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000571224654 853808084 /nfs/dbraw/zinc/80/80/84/853808084.db2.gz FVCCPJWZCWVFRB-UHFFFAOYSA-N 1 0 377.357 3.587 20 30 GHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000571368899 853879047 /nfs/dbraw/zinc/87/90/47/853879047.db2.gz QUQCZTDDLLPOJQ-UHFFFAOYSA-N 1 0 379.464 3.741 20 30 GHEDRO Cc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000058451536 862517590 /nfs/dbraw/zinc/51/75/90/862517590.db2.gz CENJUEMTPLXCSR-UHFFFAOYSA-N 1 0 391.519 3.591 20 30 GHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000520203790 853953750 /nfs/dbraw/zinc/95/37/50/853953750.db2.gz ZZXFXVCADKHHCS-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 ZINC000520334139 854090383 /nfs/dbraw/zinc/09/03/83/854090383.db2.gz XDIJXYKDZKBIDI-OAQYLSRUSA-N 1 0 386.455 3.778 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)nc1 ZINC000520333809 854091177 /nfs/dbraw/zinc/09/11/77/854091177.db2.gz DCLZOEQXFREUEU-NRFANRHFSA-N 1 0 398.466 3.750 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)nc1 ZINC000520398641 854168637 /nfs/dbraw/zinc/16/86/37/854168637.db2.gz KIBIRNKRYXQYOE-UHFFFAOYSA-N 1 0 390.487 3.836 20 30 GHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000441402363 854185339 /nfs/dbraw/zinc/18/53/39/854185339.db2.gz HLJQQPMUSWWMMT-HNNXBMFYSA-N 1 0 379.957 3.905 20 30 GHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588235380 854227458 /nfs/dbraw/zinc/22/74/58/854227458.db2.gz CLSJXYFCVRURKW-UZLBHIALSA-N 1 0 391.475 3.836 20 30 GHEDRO C[C@@H]1[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000588672581 854319533 /nfs/dbraw/zinc/31/95/33/854319533.db2.gz KJDMBLAZLJBCRM-FOIQADDNSA-N 1 0 382.895 3.674 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC1 ZINC000171637712 862570180 /nfs/dbraw/zinc/57/01/80/862570180.db2.gz YIRYNSPMBQSCMF-UHFFFAOYSA-N 1 0 394.972 3.665 20 30 GHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c2)cn1 ZINC000328691565 854510852 /nfs/dbraw/zinc/51/08/52/854510852.db2.gz IVXOLDRZSZXJIC-LPHOPBHVSA-N 1 0 380.492 3.780 20 30 GHEDRO Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)C2)[nH]n1 ZINC000328743774 854525321 /nfs/dbraw/zinc/52/53/21/854525321.db2.gz ONZLNVRMCDFTHS-DFQSSKMNSA-N 1 0 381.524 3.647 20 30 GHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000328934537 854606980 /nfs/dbraw/zinc/60/69/80/854606980.db2.gz FGXXOSDWGXKYCS-SLYNCCJLSA-N 1 0 398.551 3.957 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000328941360 854610399 /nfs/dbraw/zinc/61/03/99/854610399.db2.gz LABIITQUSCLQHT-GFOJFJKKSA-N 1 0 398.551 3.784 20 30 GHEDRO Cn1c2c(nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1)CCCC2 ZINC000328959538 854633162 /nfs/dbraw/zinc/63/31/62/854633162.db2.gz PZDCQNIPBNLMJK-HXUWFJFHSA-N 1 0 377.492 3.986 20 30 GHEDRO Cc1c(Cl)cc(F)c(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1F ZINC000330517628 854680483 /nfs/dbraw/zinc/68/04/83/854680483.db2.gz FSNGUNJYFJMUIV-GFCCVEGCSA-N 1 0 375.847 3.609 20 30 GHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)C[C@@H]1C ZINC000331108131 854806283 /nfs/dbraw/zinc/80/62/83/854806283.db2.gz HCHMUJCVNDSVJR-WCQYABFASA-N 1 0 385.867 3.616 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550404505 854828670 /nfs/dbraw/zinc/82/86/70/854828670.db2.gz HYPJNPUFDCAJPG-MRXNPFEDSA-N 1 0 396.934 3.974 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000589364639 854830165 /nfs/dbraw/zinc/83/01/65/854830165.db2.gz JIEXCKJPTSYIKA-SJORKVTESA-N 1 0 393.491 3.987 20 30 GHEDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000765794643 854840727 /nfs/dbraw/zinc/84/07/27/854840727.db2.gz AUFLRZULKQEWLO-NRFANRHFSA-N 1 0 376.504 3.713 20 30 GHEDRO N#Cc1nnc2ccccc2c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481993747 862610553 /nfs/dbraw/zinc/61/05/53/862610553.db2.gz OWSTXPWPBVWLDE-WMZHIEFXSA-N 1 0 383.499 3.992 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC[C@@H]1CC(C)C ZINC000669334687 855028101 /nfs/dbraw/zinc/02/81/01/855028101.db2.gz CZPOXHABPVVSPR-AQNXPRMDSA-N 1 0 387.572 3.795 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000056796131 855053492 /nfs/dbraw/zinc/05/34/92/855053492.db2.gz HLJFUNDNNFQYGP-JOCHJYFZSA-N 1 0 397.519 3.704 20 30 GHEDRO COCC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccco1 ZINC000273222746 855079978 /nfs/dbraw/zinc/07/99/78/855079978.db2.gz DMUILYYJTWVOLT-INIZCTEOSA-N 1 0 387.505 3.788 20 30 GHEDRO Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056842642 855092089 /nfs/dbraw/zinc/09/20/89/855092089.db2.gz XBQJOPGSIBVGDH-QHCPKHFHSA-N 1 0 388.515 3.772 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C)c2)c1C#N ZINC000273268270 855125065 /nfs/dbraw/zinc/12/50/65/855125065.db2.gz FXRPYZSLDUYXOK-OAHLLOKOSA-N 1 0 382.512 3.505 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](c2cccc(F)c2)C1)C(C)C ZINC000589757550 855143031 /nfs/dbraw/zinc/14/30/31/855143031.db2.gz HLROITQSCLFNNH-RTWAWAEBSA-N 1 0 389.515 3.607 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 ZINC000106038544 855171487 /nfs/dbraw/zinc/17/14/87/855171487.db2.gz QZBNWZMKAWIKCO-UHFFFAOYSA-N 1 0 381.524 3.660 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000106040868 855171573 /nfs/dbraw/zinc/17/15/73/855171573.db2.gz MEYPRAOOKBDJQZ-UHFFFAOYSA-N 1 0 376.298 3.701 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)CC1 ZINC000057171528 855255779 /nfs/dbraw/zinc/25/57/79/855255779.db2.gz MOWWTNZFLYLDFG-UHFFFAOYSA-N 1 0 390.487 3.923 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(OCCC(C)C)c(OC)c2)CC1 ZINC000057175296 855258254 /nfs/dbraw/zinc/25/82/54/855258254.db2.gz IMFMMPXODVKTMS-SFHVURJKSA-N 1 0 386.536 3.643 20 30 GHEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330205918 862662043 /nfs/dbraw/zinc/66/20/43/862662043.db2.gz DVKHONPPPYRRKJ-QGZVFWFLSA-N 1 0 385.512 3.513 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1c1csc(C)n1)C(C)C ZINC000190254487 855301391 /nfs/dbraw/zinc/30/13/91/855301391.db2.gz UCPDAMLWUDQYJE-RTBURBONSA-N 1 0 376.570 3.997 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056519281 855562466 /nfs/dbraw/zinc/56/24/66/855562466.db2.gz NWKDYTUAWIMLDD-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330259342 862700723 /nfs/dbraw/zinc/70/07/23/862700723.db2.gz NHPXMRVHGVHUIC-BEFAXECRSA-N 1 0 389.540 3.701 20 30 GHEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000590816843 855619425 /nfs/dbraw/zinc/61/94/25/855619425.db2.gz SBFLZZRKZPOYEK-AOIWZFSPSA-N 1 0 380.536 3.669 20 30 GHEDRO C[C@H](NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CN(C)CCO1 ZINC000590856152 855630539 /nfs/dbraw/zinc/63/05/39/855630539.db2.gz CHYGAZMJXCHOFJ-KXBFYZLASA-N 1 0 396.516 3.550 20 30 GHEDRO CC(C)[C@H](NC(=O)CN1CCC[C@H]([NH+](C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000330263127 862704253 /nfs/dbraw/zinc/70/42/53/862704253.db2.gz WDKNHOZMPWZXJX-AVRDEDQJSA-N 1 0 389.540 3.528 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000590939639 855665017 /nfs/dbraw/zinc/66/50/17/855665017.db2.gz JPVOPUHCCUGFJE-RTWAWAEBSA-N 1 0 394.544 3.870 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)CNC(=O)CCC3CCCC3)C1)CCCC2 ZINC000330267945 862707031 /nfs/dbraw/zinc/70/70/31/862707031.db2.gz IJPKLCQACYMFIY-GOSISDBHSA-N 1 0 386.540 3.771 20 30 GHEDRO C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCc2sccc2C1 ZINC000301339196 855668998 /nfs/dbraw/zinc/66/89/98/855668998.db2.gz HOIFDFYVABRGJJ-CYBMUJFWSA-N 1 0 393.472 3.935 20 30 GHEDRO N#Cc1cccc(Cl)c1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000301360906 855679573 /nfs/dbraw/zinc/67/95/73/855679573.db2.gz AGXCMIMWCPLSCO-SFHVURJKSA-N 1 0 382.895 3.521 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000574692581 855714504 /nfs/dbraw/zinc/71/45/04/855714504.db2.gz BFKYGRGNWOUZRV-VJTSUQJLSA-N 1 0 389.543 3.798 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=O)NCc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000056932854 855724903 /nfs/dbraw/zinc/72/49/03/855724903.db2.gz IFTAGQLSUOGSAX-OAQYLSRUSA-N 1 0 392.503 3.593 20 30 GHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000591024159 855744239 /nfs/dbraw/zinc/74/42/39/855744239.db2.gz BXNGOYJYHOGBSV-GOSISDBHSA-N 1 0 391.393 3.883 20 30 GHEDRO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614608053 855753562 /nfs/dbraw/zinc/75/35/62/855753562.db2.gz QOCCLJRKJTTZPG-XMMPIXPASA-N 1 0 377.532 3.557 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCO[C@@H](c3ccc(OC)cc3)C1)CC2 ZINC001168645351 855777048 /nfs/dbraw/zinc/77/70/48/855777048.db2.gz SAGURHRTGMWSQR-TZIWHRDSSA-N 1 0 384.520 3.558 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3nc4c(cc3C#N)CCCC4)C2)cc(OC)c1 ZINC000301905288 855779431 /nfs/dbraw/zinc/77/94/31/855779431.db2.gz YNFIKQLFVIGDMH-IBGZPJMESA-N 1 0 392.503 3.536 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000301981034 855795569 /nfs/dbraw/zinc/79/55/69/855795569.db2.gz IJFXNKKQHDRTMY-QGZVFWFLSA-N 1 0 393.491 3.963 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc4cc(C#N)ccc4n3)C2)cc(OC)c1 ZINC000301982703 855795737 /nfs/dbraw/zinc/79/57/37/855795737.db2.gz RCFKFTUSPXNKKR-LJQANCHMSA-N 1 0 388.471 3.810 20 30 GHEDRO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000302046576 855806141 /nfs/dbraw/zinc/80/61/41/855806141.db2.gz LBULMGDDWGCLKF-LJQANCHMSA-N 1 0 392.890 3.939 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000192661009 855833811 /nfs/dbraw/zinc/83/38/11/855833811.db2.gz GPPDRDSJAJPFSX-KBPBESRZSA-N 1 0 378.314 3.831 20 30 GHEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000302202537 855837515 /nfs/dbraw/zinc/83/75/15/855837515.db2.gz IJYTUSOLYBKLPE-VQTJNVASSA-N 1 0 376.460 3.957 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC000591278292 855880868 /nfs/dbraw/zinc/88/08/68/855880868.db2.gz KWNXQKSCZNMYKC-BPAFIMBUSA-N 1 0 380.879 3.821 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000591284655 855884243 /nfs/dbraw/zinc/88/42/43/855884243.db2.gz ZIZCEKAYIWJILC-MRXNPFEDSA-N 1 0 380.448 3.623 20 30 GHEDRO CC[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC[C@H]1[NH3+] ZINC000591284631 855884269 /nfs/dbraw/zinc/88/42/69/855884269.db2.gz SFRKKCOKLHJFNX-QFBILLFUSA-N 1 0 394.475 3.950 20 30 GHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000591309017 855902666 /nfs/dbraw/zinc/90/26/66/855902666.db2.gz YSEHVPVCFYRSDM-KRWDZBQOSA-N 1 0 388.443 3.828 20 30 GHEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000302805384 855940554 /nfs/dbraw/zinc/94/05/54/855940554.db2.gz MFQKJEDWHWKGAQ-SJORKVTESA-N 1 0 381.476 3.690 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2C)[NH+]2CCCCC2)cc1 ZINC000159470516 862738286 /nfs/dbraw/zinc/73/82/86/862738286.db2.gz ZDGAZAJKNYKPED-JOCHJYFZSA-N 1 0 377.488 3.832 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)C[C@@H]1C(F)(F)F ZINC001168558391 855982536 /nfs/dbraw/zinc/98/25/36/855982536.db2.gz JNCUEUWSZLQYGP-SOUVJXGZSA-N 1 0 375.435 3.942 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1OC(F)F ZINC001168563950 856081713 /nfs/dbraw/zinc/08/17/13/856081713.db2.gz RQGNAVBIABQZSE-GFCCVEGCSA-N 1 0 377.366 3.978 20 30 GHEDRO C[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000171775598 862755775 /nfs/dbraw/zinc/75/57/75/862755775.db2.gz IILHNLXEUFGPBC-IBGZPJMESA-N 1 0 391.515 3.548 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(n4cccn4)CC3)sc2C1 ZINC000109007470 856094981 /nfs/dbraw/zinc/09/49/81/856094981.db2.gz HHKSNIKIBSRSOH-HNNXBMFYSA-N 1 0 397.548 3.607 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000579586391 856149680 /nfs/dbraw/zinc/14/96/80/856149680.db2.gz MWEVWXWMPXTFBS-MJGOQNOKSA-N 1 0 395.551 3.929 20 30 GHEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4cccc(C#N)c4)C3)nc2c1 ZINC000536472211 856167920 /nfs/dbraw/zinc/16/79/20/856167920.db2.gz NHYLZKCRVMZKDI-AEFFLSMTSA-N 1 0 387.487 3.950 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000591764204 856230946 /nfs/dbraw/zinc/23/09/46/856230946.db2.gz WNWKLHOPJANKSU-LPHOPBHVSA-N 1 0 376.378 3.594 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000591763736 856231892 /nfs/dbraw/zinc/23/18/92/856231892.db2.gz GMRBMNUFJDEXGH-MAUKXSAKSA-N 1 0 377.271 3.882 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)Nc3ccccc3C#N)C2)s1 ZINC000554852110 856237408 /nfs/dbraw/zinc/23/74/08/856237408.db2.gz SDIPJDIFZJSDNS-MSOLQXFVSA-N 1 0 396.560 3.709 20 30 GHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(C#N)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000109141591 856242797 /nfs/dbraw/zinc/24/27/97/856242797.db2.gz OGNGPPDBPCFMBR-KRWDZBQOSA-N 1 0 397.441 3.525 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000171801602 856268755 /nfs/dbraw/zinc/26/87/55/856268755.db2.gz PIHXXLNJBYYHQR-UHFFFAOYSA-N 1 0 396.541 3.947 20 30 GHEDRO C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000171909230 856303655 /nfs/dbraw/zinc/30/36/55/856303655.db2.gz AZLWFJCHRHVFMF-GOSISDBHSA-N 1 0 376.504 3.753 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109484859 856313899 /nfs/dbraw/zinc/31/38/99/856313899.db2.gz ZXZRRXFCOIGKBY-INIZCTEOSA-N 1 0 381.501 3.513 20 30 GHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000109661983 856351924 /nfs/dbraw/zinc/35/19/24/856351924.db2.gz CILOWJIQVVTNIZ-REWPJTCUSA-N 1 0 397.563 3.932 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000172185596 856365310 /nfs/dbraw/zinc/36/53/10/856365310.db2.gz ZJXXXKVEXCZLSD-SFHVURJKSA-N 1 0 379.957 3.790 20 30 GHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC3 ZINC000485330677 856371160 /nfs/dbraw/zinc/37/11/60/856371160.db2.gz LCTGXZLOWVVFDB-KOSHJBKYSA-N 1 0 398.510 3.991 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109873940 856386067 /nfs/dbraw/zinc/38/60/67/856386067.db2.gz PUANUQLLMSUBFP-INIZCTEOSA-N 1 0 395.482 3.722 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000184829110 856407099 /nfs/dbraw/zinc/40/70/99/856407099.db2.gz RQYVXUMKVIDFDA-GOSISDBHSA-N 1 0 375.394 3.539 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000905623115 856425889 /nfs/dbraw/zinc/42/58/89/856425889.db2.gz CZUZTZXZLXJMKV-LQBOVUBWSA-N 1 0 382.508 3.645 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)C[C@H](C)C1CCCCC1 ZINC000624840691 856443124 /nfs/dbraw/zinc/44/31/24/856443124.db2.gz PRFOSRYYRCTUQW-SXLOBPIMSA-N 1 0 387.572 3.652 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000265751692 856454649 /nfs/dbraw/zinc/45/46/49/856454649.db2.gz HSSOSGNASKVYSL-SFHVURJKSA-N 1 0 395.532 3.555 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000046105229 856488599 /nfs/dbraw/zinc/48/85/99/856488599.db2.gz YESMGQMJFBXOQU-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000110306256 856495227 /nfs/dbraw/zinc/49/52/27/856495227.db2.gz OHFUFZFEJVPGLF-FQEVSTJZSA-N 1 0 391.471 3.518 20 30 GHEDRO COc1cncc(/C=C\CC[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000592099497 856642625 /nfs/dbraw/zinc/64/26/25/856642625.db2.gz ATNZDEGNGCJMKB-RQQCXYQZSA-N 1 0 380.467 3.515 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001128809211 856754829 /nfs/dbraw/zinc/75/48/29/856754829.db2.gz TWVPPYGXJMGPPO-VWLOTQADSA-N 1 0 387.527 3.842 20 30 GHEDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cc(C#N)ccc1C ZINC001128818092 856777694 /nfs/dbraw/zinc/77/76/94/856777694.db2.gz NEXIQQWUAKPBOP-UHFFFAOYSA-N 1 0 393.487 3.926 20 30 GHEDRO CCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H]1CC[N@H+](C)C1 ZINC000592220238 856876299 /nfs/dbraw/zinc/87/62/99/856876299.db2.gz BOHXHTAHHQABSC-SFHVURJKSA-N 1 0 379.464 3.694 20 30 GHEDRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592522931 856919198 /nfs/dbraw/zinc/91/91/98/856919198.db2.gz IKDVJBCOWZTEPF-DEOSSOPVSA-N 1 0 386.499 3.757 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C1CC1 ZINC000111746629 856995662 /nfs/dbraw/zinc/99/56/62/856995662.db2.gz HQFWJWHCDXVYFM-UHFFFAOYSA-N 1 0 394.475 3.965 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000508158242 857012727 /nfs/dbraw/zinc/01/27/27/857012727.db2.gz NGHBMZDEMBFSJX-LJQANCHMSA-N 1 0 398.551 3.766 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000058559614 857054189 /nfs/dbraw/zinc/05/41/89/857054189.db2.gz ZXRIEGOUZYXVMO-KGLIPLIRSA-N 1 0 398.429 3.741 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000064381139 857139416 /nfs/dbraw/zinc/13/94/16/857139416.db2.gz YXXVMBCSKCYKIM-UHFFFAOYSA-N 1 0 393.491 3.638 20 30 GHEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000173972624 857189798 /nfs/dbraw/zinc/18/97/98/857189798.db2.gz LXKNDIHHHLGOQN-UHFFFAOYSA-N 1 0 391.519 3.520 20 30 GHEDRO N#Cc1ccc(-c2cccc(C[NH2+]C3CCN(c4cnccn4)CC3)c2)s1 ZINC000766113515 857194710 /nfs/dbraw/zinc/19/47/10/857194710.db2.gz NYVMEJDKJOYDBV-UHFFFAOYSA-N 1 0 375.501 3.835 20 30 GHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000174138601 857214924 /nfs/dbraw/zinc/21/49/24/857214924.db2.gz OWSIMQBIZKRMSV-OAQYLSRUSA-N 1 0 377.488 3.694 20 30 GHEDRO C[C@H]([NH2+]C1(CNC(=O)[C@]2(C#N)CC3CCC2CC3)CCOCC1)c1ccccc1 ZINC000906690366 857243670 /nfs/dbraw/zinc/24/36/70/857243670.db2.gz FWNBYCQLCPHGNC-YXIOWOIOSA-N 1 0 395.547 3.723 20 30 GHEDRO CC(C)(C#N)c1ccc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000593071083 857335191 /nfs/dbraw/zinc/33/51/91/857335191.db2.gz XXKIECOCSRPYPG-ZEQRLZLVSA-N 1 0 389.543 3.963 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCO[C@@H](C3CCCCC3)C1)CCC2 ZINC000543575693 862900289 /nfs/dbraw/zinc/90/02/89/862900289.db2.gz ZPQFASMFTYANKH-GOSISDBHSA-N 1 0 387.549 3.718 20 30 GHEDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000174595490 857347489 /nfs/dbraw/zinc/34/74/89/857347489.db2.gz OZOGEOJPEWTLRC-FQEVSTJZSA-N 1 0 387.483 3.877 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000246594846 857413071 /nfs/dbraw/zinc/41/30/71/857413071.db2.gz BCNVZUWALIYBKC-OEWRPIJISA-N 1 0 376.504 3.514 20 30 GHEDRO Cc1nccn1-c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000113325168 857451288 /nfs/dbraw/zinc/45/12/88/857451288.db2.gz YHMPCQXYTJLKPW-UHFFFAOYSA-N 1 0 397.486 3.643 20 30 GHEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000486179078 857518175 /nfs/dbraw/zinc/51/81/75/857518175.db2.gz SHSRSLGOOSGOLX-KDOFPFPSSA-N 1 0 383.879 3.927 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3c(F)cccc3F)CC2)CC1 ZINC000486185017 857526022 /nfs/dbraw/zinc/52/60/22/857526022.db2.gz GCKSFPAGSYNHNK-UHFFFAOYSA-N 1 0 377.479 3.894 20 30 GHEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000593542018 857618030 /nfs/dbraw/zinc/61/80/30/857618030.db2.gz GNQCMUJERGTGJP-KRWDZBQOSA-N 1 0 399.560 3.895 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc(OC)c1O ZINC000593693058 857677097 /nfs/dbraw/zinc/67/70/97/857677097.db2.gz NKLMCKKJMSIZPH-UHFFFAOYSA-N 1 0 391.515 3.755 20 30 GHEDRO COc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000521161761 857684919 /nfs/dbraw/zinc/68/49/19/857684919.db2.gz GOWHVSWPRGAWRW-SFHVURJKSA-N 1 0 392.503 3.545 20 30 GHEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O ZINC000499601981 857688958 /nfs/dbraw/zinc/68/89/58/857688958.db2.gz HTBMOMTXURGVQM-FOIQADDNSA-N 1 0 381.451 3.516 20 30 GHEDRO CCN(CC)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181624614 862944344 /nfs/dbraw/zinc/94/43/44/862944344.db2.gz HATFPHWUCRPEJL-JOCHJYFZSA-N 1 0 380.536 3.788 20 30 GHEDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000113937242 857795517 /nfs/dbraw/zinc/79/55/17/857795517.db2.gz ATGHSYUHPUIGCB-HZPDHXFCSA-N 1 0 389.565 3.822 20 30 GHEDRO CCc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000486500937 857800720 /nfs/dbraw/zinc/80/07/20/857800720.db2.gz CIVVBBCRJDKHED-UHFFFAOYSA-N 1 0 380.467 4.000 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000439003948 858027794 /nfs/dbraw/zinc/02/77/94/858027794.db2.gz OQVPTGWCNXPMQF-IDINPZAYSA-N 1 0 395.547 3.705 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000594357756 858102564 /nfs/dbraw/zinc/10/25/64/858102564.db2.gz MNJWJXINFICCLE-OXQOHEQNSA-N 1 0 383.923 3.852 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000574632110 858124138 /nfs/dbraw/zinc/12/41/38/858124138.db2.gz NRKPODSMPYWEJM-OXQOHEQNSA-N 1 0 388.414 3.567 20 30 GHEDRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1Cl ZINC000594429102 858174677 /nfs/dbraw/zinc/17/46/77/858174677.db2.gz QUDORUKEVLNBQD-KDOFPFPSSA-N 1 0 390.915 3.704 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000594438182 858177532 /nfs/dbraw/zinc/17/75/32/858177532.db2.gz HQDIPSXBWLQKLG-FQEVSTJZSA-N 1 0 376.504 3.841 20 30 GHEDRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)s2)cc1 ZINC000594442058 858178086 /nfs/dbraw/zinc/17/80/86/858178086.db2.gz AOJSOQNWEQEJRX-SUMWQHHRSA-N 1 0 386.521 3.716 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000594447507 858179791 /nfs/dbraw/zinc/17/97/91/858179791.db2.gz XKFDXWSNKRYUJC-KRWDZBQOSA-N 1 0 378.314 3.566 20 30 GHEDRO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000594428062 858185156 /nfs/dbraw/zinc/18/51/56/858185156.db2.gz KVZCDSKMBCAURA-OXQOHEQNSA-N 1 0 378.476 3.527 20 30 GHEDRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594427005 858185555 /nfs/dbraw/zinc/18/55/55/858185555.db2.gz UGJQRVAJVVTLBJ-HNNXBMFYSA-N 1 0 399.322 3.582 20 30 GHEDRO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000521642719 858190341 /nfs/dbraw/zinc/19/03/41/858190341.db2.gz PFNUBJIXZUUJSY-NRFANRHFSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cn2)C[C@H](C)O1 ZINC000594494887 858191180 /nfs/dbraw/zinc/19/11/80/858191180.db2.gz KEZIAVLCMYNXTR-ROUUACIJSA-N 1 0 378.520 3.786 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000594503103 858194157 /nfs/dbraw/zinc/19/41/57/858194157.db2.gz SMDUTLIWXYFJPW-QHCPKHFHSA-N 1 0 375.516 3.958 20 30 GHEDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594506921 858197102 /nfs/dbraw/zinc/19/71/02/858197102.db2.gz YVDNNDVPENBCIF-KBPBESRZSA-N 1 0 385.537 3.655 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000521663654 858197750 /nfs/dbraw/zinc/19/77/50/858197750.db2.gz DIEIDXVUXGYOIQ-ROUUACIJSA-N 1 0 392.341 3.645 20 30 GHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000443018127 858297633 /nfs/dbraw/zinc/29/76/33/858297633.db2.gz IOSVZZXSIBDDTL-QUCCMNQESA-N 1 0 397.544 3.713 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C3CCN(C(=O)c4ccccc4F)CC3)cc2)CC1 ZINC000594920925 858304888 /nfs/dbraw/zinc/30/48/88/858304888.db2.gz CBZSNUYRIAUNRF-UHFFFAOYSA-N 1 0 377.463 3.775 20 30 GHEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](CO)Cc3ccc(Br)cc3)cc2)CC1 ZINC000594939161 858339869 /nfs/dbraw/zinc/33/98/69/858339869.db2.gz QDKIOPRBFKMSLI-SFHVURJKSA-N 1 0 399.332 3.945 20 30 GHEDRO CC(C)[C@@H](O)[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000594990564 858359988 /nfs/dbraw/zinc/35/99/88/858359988.db2.gz SRWXGFJOJKNJQY-BJKOFHAPSA-N 1 0 377.532 3.870 20 30 GHEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000066954504 858372379 /nfs/dbraw/zinc/37/23/79/858372379.db2.gz LPUDJMFHCSRRFS-DLBZAZTESA-N 1 0 390.553 3.559 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OC(F)F)c(Cl)c3)CC2)nc1 ZINC000067121785 858439943 /nfs/dbraw/zinc/43/99/43/858439943.db2.gz ZOKKFKYKMLQNRC-UHFFFAOYSA-N 1 0 392.837 3.967 20 30 GHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)cc1Cl ZINC000595227679 858445957 /nfs/dbraw/zinc/44/59/57/858445957.db2.gz KPKNVGSZTMESGA-UARVQCNDSA-N 1 0 380.879 3.950 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCCNC(=O)c2cccc(F)c2)cc1Cl ZINC000522063447 858586415 /nfs/dbraw/zinc/58/64/15/858586415.db2.gz UWXFFZDOPWCQOK-UHFFFAOYSA-N 1 0 376.859 3.954 20 30 GHEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000522080614 858603134 /nfs/dbraw/zinc/60/31/34/858603134.db2.gz UOWPSLWZDGQNFT-IGBVOLGGSA-N 1 0 398.551 3.810 20 30 GHEDRO C[N@H+](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C1CCCCC1 ZINC000522100946 858620218 /nfs/dbraw/zinc/62/02/18/858620218.db2.gz FADDACJDPWSLAU-UHFFFAOYSA-N 1 0 398.551 3.812 20 30 GHEDRO N#CC1(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCCCC2)CCC1 ZINC000595602983 858628418 /nfs/dbraw/zinc/62/84/18/858628418.db2.gz WAIXTDQVVNROPI-UHFFFAOYSA-N 1 0 390.325 3.761 20 30 GHEDRO N#CC[C@H]1CCC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000595614681 858631278 /nfs/dbraw/zinc/63/12/78/858631278.db2.gz MKIYDAREMHYVJU-CQSZACIVSA-N 1 0 384.261 3.686 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670613 858643546 /nfs/dbraw/zinc/64/35/46/858643546.db2.gz GEPOQLZGYDPUJP-JOCHJYFZSA-N 1 0 397.906 3.922 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)cc1 ZINC000595707885 858653678 /nfs/dbraw/zinc/65/36/78/858653678.db2.gz PKRXRGSPHOOYDH-HTAPYJJXSA-N 1 0 377.488 3.650 20 30 GHEDRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2 ZINC000595759725 858660927 /nfs/dbraw/zinc/66/09/27/858660927.db2.gz OPHVPLFGMLBKNZ-UHFFFAOYSA-N 1 0 395.528 3.894 20 30 GHEDRO COc1cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000595743359 858672145 /nfs/dbraw/zinc/67/21/45/858672145.db2.gz MVVCMUYLAWKGQA-IRXDYDNUSA-N 1 0 380.488 3.595 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595828063 858700394 /nfs/dbraw/zinc/70/03/94/858700394.db2.gz HLGRRFUJVSLHDM-UHFFFAOYSA-N 1 0 375.472 3.747 20 30 GHEDRO COC1(c2noc(CC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)CCCC1 ZINC000595915387 858718026 /nfs/dbraw/zinc/71/80/26/858718026.db2.gz IYUHOENYCCWAIY-UHFFFAOYSA-N 1 0 380.492 3.812 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000595877415 858724728 /nfs/dbraw/zinc/72/47/28/858724728.db2.gz TXTBMJMWMAFTOF-SBUREZEXSA-N 1 0 380.488 3.596 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cccc4cccnc43)CC2)c1 ZINC000593134508 858743128 /nfs/dbraw/zinc/74/31/28/858743128.db2.gz AMZORLGHTFKSNE-UHFFFAOYSA-N 1 0 385.471 3.893 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nc4ncccc4cc3C#N)cc2)C[C@@H](C)O1 ZINC000596077874 858774921 /nfs/dbraw/zinc/77/49/21/858774921.db2.gz CQBPIRMHKOKGDE-IAGOWNOFSA-N 1 0 387.487 3.723 20 30 GHEDRO C=CC[NH+]1CCC(Nc2ccc(C(C)=O)cc2I)CC1 ZINC000596115983 858783201 /nfs/dbraw/zinc/78/32/01/858783201.db2.gz GCAKOEJJSNVIDA-UHFFFAOYSA-N 1 0 384.261 3.556 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116063721 858810118 /nfs/dbraw/zinc/81/01/18/858810118.db2.gz RUJGUTGOEZZBRP-ZWKOTPCHSA-N 1 0 377.488 3.667 20 30 GHEDRO CC(C)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(O)c(=O)c1 ZINC000596212209 858817049 /nfs/dbraw/zinc/81/70/49/858817049.db2.gz KICMPGYPYXLASF-UHFFFAOYSA-N 1 0 378.472 3.791 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000596574866 858942475 /nfs/dbraw/zinc/94/24/75/858942475.db2.gz NPSORNIVGDBLPM-PBHICJAKSA-N 1 0 382.430 3.643 20 30 GHEDRO Cc1oc2ccccc2c1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000466278464 858959894 /nfs/dbraw/zinc/95/98/94/858959894.db2.gz PZFYWOSUEXHIRW-UHFFFAOYSA-N 1 0 387.483 3.958 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C12CCOCC2 ZINC000923033835 858969247 /nfs/dbraw/zinc/96/92/47/858969247.db2.gz KYTVGPFUXNDDNA-FCHUYYIVSA-N 1 0 397.563 3.869 20 30 GHEDRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000142828019 858992825 /nfs/dbraw/zinc/99/28/25/858992825.db2.gz OXGFGRFGMZKGMS-KRWDZBQOSA-N 1 0 394.544 3.589 20 30 GHEDRO Cn1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1-c1ccccc1 ZINC000596695953 859012036 /nfs/dbraw/zinc/01/20/36/859012036.db2.gz ZBFZZFXVPOHKOH-UHFFFAOYSA-N 1 0 398.510 3.912 20 30 GHEDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000625857471 859031158 /nfs/dbraw/zinc/03/11/58/859031158.db2.gz NJPGBEYSUIRBHS-WCBMZHEXSA-N 1 0 387.299 3.836 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H](c3ccccc3)C(F)F)CC2)c1 ZINC000593219748 859047273 /nfs/dbraw/zinc/04/72/73/859047273.db2.gz XMKNEKGUOWNJOH-FQEVSTJZSA-N 1 0 398.457 3.828 20 30 GHEDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000593227903 859062235 /nfs/dbraw/zinc/06/22/35/859062235.db2.gz VVSIBXXQEASRQU-ARFHVFGLSA-N 1 0 382.895 3.730 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)c1 ZINC000185585057 859098067 /nfs/dbraw/zinc/09/80/67/859098067.db2.gz UUAHAOLPHILPSV-WIYYLYMNSA-N 1 0 377.488 3.704 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000483099350 859136164 /nfs/dbraw/zinc/13/61/64/859136164.db2.gz DTOSMBBJAGNOFX-CTNGQTDRSA-N 1 0 385.479 3.792 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)c1C#N ZINC000443643700 859142134 /nfs/dbraw/zinc/14/21/34/859142134.db2.gz VZMADHDTWBGJQB-HZPDHXFCSA-N 1 0 382.508 3.924 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000596865294 859144171 /nfs/dbraw/zinc/14/41/71/859144171.db2.gz MOFDNPZGEVAOGL-UHFFFAOYSA-N 1 0 390.478 3.599 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@@H](CC#N)C2)CC1 ZINC000596928767 859158512 /nfs/dbraw/zinc/15/85/12/859158512.db2.gz HLUHLFZRZGTRPS-HNNXBMFYSA-N 1 0 390.915 3.971 20 30 GHEDRO C=CCC1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCCCC1 ZINC000625935521 859193782 /nfs/dbraw/zinc/19/37/82/859193782.db2.gz CJWOUXQQUZCRGE-UHFFFAOYSA-N 1 0 376.298 3.826 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)CC(F)(F)F ZINC000596973724 859205074 /nfs/dbraw/zinc/20/50/74/859205074.db2.gz DTYIONANDLTRRK-UHFFFAOYSA-N 1 0 384.446 3.610 20 30 GHEDRO N#CC1(c2ccc(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)cc2)CC1 ZINC000596980635 859209377 /nfs/dbraw/zinc/20/93/77/859209377.db2.gz RNOARYVNSCZILT-UHFFFAOYSA-N 1 0 375.472 3.798 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466710894 859239481 /nfs/dbraw/zinc/23/94/81/859239481.db2.gz PZTZKIRCOPPMAY-UHFFFAOYSA-N 1 0 392.290 3.856 20 30 GHEDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069077564 859332596 /nfs/dbraw/zinc/33/25/96/859332596.db2.gz BNQAGGSFUREPEF-OAHLLOKOSA-N 1 0 380.876 3.787 20 30 GHEDRO CCOc1cc(C[NH2+]CCc2ccc(C#N)cc2)cc(Br)c1O ZINC000597179459 859338631 /nfs/dbraw/zinc/33/86/31/859338631.db2.gz TZAXFEAIPPLDDQ-UHFFFAOYSA-N 1 0 375.266 3.757 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483413967 859349271 /nfs/dbraw/zinc/34/92/71/859349271.db2.gz HRGPXCHRNADQHO-CVEARBPZSA-N 1 0 383.458 3.966 20 30 GHEDRO O=C1c2ccccc2C(Nc2ccc(O[C@@H]3CCC[NH2+]C3)nn2)=C1c1ccccc1 ZINC001168410932 859359087 /nfs/dbraw/zinc/35/90/87/859359087.db2.gz OUJZCRYQQIUUGM-QGZVFWFLSA-N 1 0 398.466 3.784 20 30 GHEDRO C=CCOCCC[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000470763019 859360423 /nfs/dbraw/zinc/36/04/23/859360423.db2.gz AEFPBZJWBRSQPS-UHFFFAOYSA-N 1 0 375.513 3.660 20 30 GHEDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000597235980 859369713 /nfs/dbraw/zinc/36/97/13/859369713.db2.gz LJVKFLJWSVAWNN-UGKGYDQZSA-N 1 0 380.492 3.675 20 30 GHEDRO CCc1nc([C@H](C)NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000593341723 859494725 /nfs/dbraw/zinc/49/47/25/859494725.db2.gz VFDVDPKXKSCMRR-HNNXBMFYSA-N 1 0 397.548 3.602 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000601739853 859496779 /nfs/dbraw/zinc/49/67/79/859496779.db2.gz QDEDLAAGTYTBQH-UHFFFAOYSA-N 1 0 393.487 3.821 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cc(OCC(F)(F)F)ncn2)CC1 ZINC001170371082 881434709 /nfs/dbraw/zinc/43/47/09/881434709.db2.gz AZKHKVTZUQIOHN-UHFFFAOYSA-N 1 0 390.409 3.911 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@]34CCc3ccccc34)CC2)c1 ZINC000593353268 859546474 /nfs/dbraw/zinc/54/64/74/859546474.db2.gz IZRFLGBMMIAZRW-ILBGXUMGSA-N 1 0 385.511 3.543 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)COc3cccc4ccccc43)CC2)c1 ZINC000593353210 859546855 /nfs/dbraw/zinc/54/68/55/859546855.db2.gz QEWWDRHSTLOXMT-UHFFFAOYSA-N 1 0 399.494 3.871 20 30 GHEDRO C[C@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593353748 859548738 /nfs/dbraw/zinc/54/87/38/859548738.db2.gz FKNZNEIKHARTGJ-QGZVFWFLSA-N 1 0 379.479 3.972 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1Cl ZINC000161106940 859592231 /nfs/dbraw/zinc/59/22/31/859592231.db2.gz RTFOGOIHPDGVEJ-UTKZUKDTSA-N 1 0 389.927 3.522 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2CCN(c3ccncn3)CC2)CC1 ZINC001170371303 881439698 /nfs/dbraw/zinc/43/96/98/881439698.db2.gz DXUPYTDBNXKRTC-UHFFFAOYSA-N 1 0 375.520 3.687 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC(=O)Nc4ccccc43)C2)c(F)c1 ZINC000543403244 859596988 /nfs/dbraw/zinc/59/69/88/859596988.db2.gz SIKOHCGNMWNMFM-OXJNMPFZSA-N 1 0 378.451 3.729 20 30 GHEDRO CC(C)([C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543411982 859630361 /nfs/dbraw/zinc/63/03/61/859630361.db2.gz RNIDCXWPBXXWRN-IBGZPJMESA-N 1 0 384.430 3.577 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000611225396 859657362 /nfs/dbraw/zinc/65/73/62/859657362.db2.gz POOWWVJWOIUCJG-JKSUJKDBSA-N 1 0 388.581 3.632 20 30 GHEDRO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nc1C ZINC000895583631 859678664 /nfs/dbraw/zinc/67/86/64/859678664.db2.gz MISTWGWZLYHRKA-RHSMWYFYSA-N 1 0 399.516 3.909 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)c2)c1 ZINC000552079829 859719651 /nfs/dbraw/zinc/71/96/51/859719651.db2.gz LXUFIXUUADOELK-XMMPIXPASA-N 1 0 392.499 3.907 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000611370464 859724202 /nfs/dbraw/zinc/72/42/02/859724202.db2.gz TWAUWYNDRMBALX-IIDMSEBBSA-N 1 0 379.464 3.856 20 30 GHEDRO C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@@H](C[NH+](C)C)C2)c1=S ZINC000765011884 859727187 /nfs/dbraw/zinc/72/71/87/859727187.db2.gz KQTRLXZZPPJHEV-HNNXBMFYSA-N 1 0 391.972 3.761 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1OCC(=O)NC ZINC000611379944 859728948 /nfs/dbraw/zinc/72/89/48/859728948.db2.gz MMQJMEKZEFRTRB-HXUWFJFHSA-N 1 0 379.504 3.853 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc(C#N)c1 ZINC000611389053 859733288 /nfs/dbraw/zinc/73/32/88/859733288.db2.gz PPHNWBWYDRTABJ-LLVKDONJSA-N 1 0 387.365 3.743 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000611391707 859735082 /nfs/dbraw/zinc/73/50/82/859735082.db2.gz BMXRRFGSALVZDN-DHIUTWEWSA-N 1 0 379.479 3.738 20 30 GHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000611391372 859741471 /nfs/dbraw/zinc/74/14/71/859741471.db2.gz KCJZKOYNZWFAJU-FYYLOGMGSA-N 1 0 389.499 3.634 20 30 GHEDRO C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H](C[N@@H+](C)CC)C2)c1=S ZINC000765038700 859743863 /nfs/dbraw/zinc/74/38/63/859743863.db2.gz OCFKRTMLFQEWTN-SFHVURJKSA-N 1 0 385.581 3.807 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCC[C@H]3C3CC3)CC2)c1 ZINC000593413456 859789542 /nfs/dbraw/zinc/78/95/42/859789542.db2.gz BDFUWEJXSZHZBH-UNMCSNQZSA-N 1 0 380.536 3.648 20 30 GHEDRO C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611512964 859795369 /nfs/dbraw/zinc/79/53/69/859795369.db2.gz JQFYSKVCDYGPDH-NJNPRVFISA-N 1 0 376.504 3.829 20 30 GHEDRO CCO/C=C\[C@](O)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000895706280 859835024 /nfs/dbraw/zinc/83/50/24/859835024.db2.gz AZIWZONQGNZPPJ-IVYXCDEISA-N 1 0 382.426 3.824 20 30 GHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000765360072 859927097 /nfs/dbraw/zinc/92/70/97/859927097.db2.gz RPBYHJJZLFOYHK-XXBNENTESA-N 1 0 395.572 3.671 20 30 GHEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccccc4Br)CC3)n2c1 ZINC000153990246 859951487 /nfs/dbraw/zinc/95/14/87/859951487.db2.gz NPYOUBWUDSGSFX-UHFFFAOYSA-N 1 0 381.277 3.790 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001127858674 859957802 /nfs/dbraw/zinc/95/78/02/859957802.db2.gz HDYHAETZKBPDPA-OXQOHEQNSA-N 1 0 386.417 3.694 20 30 GHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H](C)Oc3ccc(C#N)cc3)C2)s1 ZINC000552136227 859987016 /nfs/dbraw/zinc/98/70/16/859987016.db2.gz DRQBAXSBLPEBGW-HKUYNNGSSA-N 1 0 397.544 3.676 20 30 GHEDRO COc1ccc2c(c1)[nH+]ccc2N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000765484199 859991484 /nfs/dbraw/zinc/99/14/84/859991484.db2.gz ZDMRWIJBUTZGMD-UHFFFAOYSA-N 1 0 395.466 3.990 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000154174138 860013265 /nfs/dbraw/zinc/01/32/65/860013265.db2.gz ALOQWUGGNRDPIP-QHCPKHFHSA-N 1 0 390.531 3.653 20 30 GHEDRO C=C(C)C[NH+]1CCC(N2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000761256364 860043604 /nfs/dbraw/zinc/04/36/04/860043604.db2.gz NHXMCGXLOIGYLD-LJQANCHMSA-N 1 0 396.318 3.801 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3(c4ccccc4F)CC3)CC2)c1 ZINC000593511294 860071310 /nfs/dbraw/zinc/07/13/10/860071310.db2.gz JMYXUTVLFUDQLL-UHFFFAOYSA-N 1 0 392.478 3.650 20 30 GHEDRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602542797 860089026 /nfs/dbraw/zinc/08/90/26/860089026.db2.gz XOELBHBZDWIAKK-JKSUJKDBSA-N 1 0 394.313 3.532 20 30 GHEDRO CC1(C)[C@H]([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1OCc1ccccc1 ZINC001170387036 881502572 /nfs/dbraw/zinc/50/25/72/881502572.db2.gz QTPXRFRSLBFTJO-BDTNDASRSA-N 1 0 389.499 3.637 20 30 GHEDRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602552756 860106161 /nfs/dbraw/zinc/10/61/61/860106161.db2.gz AHLNLACXGCXCTR-SJORKVTESA-N 1 0 378.314 3.832 20 30 GHEDRO Cc1nc(-c2ccncc2)nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593516037 860108687 /nfs/dbraw/zinc/10/86/87/860108687.db2.gz WKBATRVHNMNYHM-UHFFFAOYSA-N 1 0 398.514 3.526 20 30 GHEDRO CC(C)(C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593516943 860135250 /nfs/dbraw/zinc/13/52/50/860135250.db2.gz QUAWWQWNQHVGMY-HXUWFJFHSA-N 1 0 382.552 3.990 20 30 GHEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000598195982 860141379 /nfs/dbraw/zinc/14/13/79/860141379.db2.gz YGXRNKDLRBSHBV-XZOQPEGZSA-N 1 0 375.516 3.849 20 30 GHEDRO CC1(C)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@H]21 ZINC000593517590 860145627 /nfs/dbraw/zinc/14/56/27/860145627.db2.gz STIQYAFOGQGMMJ-RTWAWAEBSA-N 1 0 380.536 3.743 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(Cc4ccccc4)CC3)CC2)nc1 ZINC000092853938 860147011 /nfs/dbraw/zinc/14/70/11/860147011.db2.gz JOYIIYQGWGKLNX-UHFFFAOYSA-N 1 0 390.531 3.897 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(C3(c4cccc(C(F)(F)F)c4)CC3)no1)C2 ZINC000904119652 860147624 /nfs/dbraw/zinc/14/76/24/860147624.db2.gz WLRPQRPYXUIVPD-HBSPSFQMSA-N 1 0 388.393 3.775 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 ZINC001183044075 912212755 /nfs/dbraw/zinc/21/27/55/912212755.db2.gz CBCNUOBCZSNRMR-UHFFFAOYSA-N 1 0 398.425 3.607 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/CCc2ccc(OC)c(OC)c2OC)c(O)c1 ZINC000727685116 860181410 /nfs/dbraw/zinc/18/14/10/860181410.db2.gz APAIOUAGBCYABF-HZHRSRAPSA-N 1 0 386.492 3.926 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000484634168 860185917 /nfs/dbraw/zinc/18/59/17/860185917.db2.gz CORYIXCECTVVTJ-IFMALSPDSA-N 1 0 398.528 3.620 20 30 GHEDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000484633015 860206677 /nfs/dbraw/zinc/20/66/77/860206677.db2.gz CCYKIMNNKKDQSV-IFMALSPDSA-N 1 0 398.528 3.620 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1OC ZINC000727734127 860207758 /nfs/dbraw/zinc/20/77/58/860207758.db2.gz HJBVAEAXMVHUDH-ZAHGZRRWSA-N 1 0 384.520 3.750 20 30 GHEDRO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4nc5c(s4)CCCC5)C3)n2c1 ZINC000093840940 860360487 /nfs/dbraw/zinc/36/04/87/860360487.db2.gz ZCWZKQMIIJDBFX-MRXNPFEDSA-N 1 0 377.517 3.921 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)nc1 ZINC000602913569 860363624 /nfs/dbraw/zinc/36/36/24/860363624.db2.gz WKOMGPXWFYEDEW-QPPBQGQZSA-N 1 0 391.515 3.588 20 30 GHEDRO COc1cccc(O[C@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)n1 ZINC001170397444 881529960 /nfs/dbraw/zinc/52/99/60/881529960.db2.gz CALSBNQFNKNZDB-KQVJYAISSA-N 1 0 377.488 3.947 20 30 GHEDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1(C)C ZINC000439516805 860386117 /nfs/dbraw/zinc/38/61/17/860386117.db2.gz QRTNUTLZAZSYFV-OAUYIBNBSA-N 1 0 375.538 3.619 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)ccc1OC ZINC000060949913 860406026 /nfs/dbraw/zinc/40/60/26/860406026.db2.gz CWESUGDWUNNHMI-UHFFFAOYSA-N 1 0 388.895 3.823 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552248771 860409903 /nfs/dbraw/zinc/40/99/03/860409903.db2.gz SLTFQZGKPXDKNA-KRWDZBQOSA-N 1 0 377.488 3.867 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@@H]4Cc5cccc(Cl)c5C4)C3)CC2=O)c1 ZINC001168732225 860453694 /nfs/dbraw/zinc/45/36/94/860453694.db2.gz QTMLADAOJZAYKB-XXBNENTESA-N 1 0 391.902 3.808 20 30 GHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000598721460 860529011 /nfs/dbraw/zinc/52/90/11/860529011.db2.gz VQIHXPSLNPYUSG-QFIPXVFZSA-N 1 0 388.515 3.989 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000155688778 860574928 /nfs/dbraw/zinc/57/49/28/860574928.db2.gz ZXHNFJSHRDVOSM-UHFFFAOYSA-N 1 0 397.906 3.829 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)CC1 ZINC001170380909 881555405 /nfs/dbraw/zinc/55/54/05/881555405.db2.gz BBVBPBYFOKHIFK-AGWYQGIESA-N 1 0 399.538 3.996 20 30 GHEDRO CCO[C@H]1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@H]1Cc1cnn(C)c1 ZINC001170381110 881555508 /nfs/dbraw/zinc/55/55/08/881555508.db2.gz HIMYIWOKIIKJDT-XZZNXKJUSA-N 1 0 392.547 3.846 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)CC1 ZINC001170381634 881558020 /nfs/dbraw/zinc/55/80/20/881558020.db2.gz UCNDFRSIXJIDLA-UJKXBYJESA-N 1 0 392.572 3.911 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000922793850 860601042 /nfs/dbraw/zinc/60/10/42/860601042.db2.gz HMEQCVNZZULGFW-LJQANCHMSA-N 1 0 395.507 3.563 20 30 GHEDRO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000624982914 860612347 /nfs/dbraw/zinc/61/23/47/860612347.db2.gz KBIRBFGUYZSIEM-QKNQBKEWSA-N 1 0 395.551 3.805 20 30 GHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000603318279 860646699 /nfs/dbraw/zinc/64/66/99/860646699.db2.gz SSRICMGKKPOZLD-ZDUSSCGKSA-N 1 0 386.297 3.748 20 30 GHEDRO COCc1cc(C#N)ccc1NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000603385503 860681111 /nfs/dbraw/zinc/68/11/11/860681111.db2.gz DPAYSCCHJUDNPQ-UHFFFAOYSA-N 1 0 392.503 3.740 20 30 GHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125490749 860682643 /nfs/dbraw/zinc/68/26/43/860682643.db2.gz NSZLHZFDZBEXDP-UHFFFAOYSA-N 1 0 391.397 3.508 20 30 GHEDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000922873106 860691019 /nfs/dbraw/zinc/69/10/19/860691019.db2.gz QWCPYIQNYVAWHK-HKUYNNGSSA-N 1 0 390.491 3.835 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000599065951 860774111 /nfs/dbraw/zinc/77/41/11/860774111.db2.gz NTBTVUWIHWNIFO-UHFFFAOYSA-N 1 0 392.490 3.937 20 30 GHEDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000603513445 860782951 /nfs/dbraw/zinc/78/29/51/860782951.db2.gz LUFICPHPMMCKEB-UHFFFAOYSA-N 1 0 386.311 3.878 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000599099310 860795919 /nfs/dbraw/zinc/79/59/19/860795919.db2.gz AVTARZCJWZDNJU-UHFFFAOYSA-N 1 0 397.525 3.682 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000102785433 860856364 /nfs/dbraw/zinc/85/63/64/860856364.db2.gz KRYXXJSNTFQQDA-UHFFFAOYSA-N 1 0 381.476 3.725 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692786 860859873 /nfs/dbraw/zinc/85/98/73/860859873.db2.gz KFSZRBQDXIDDPV-CJFMBICVSA-N 1 0 388.559 3.633 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000156620596 860875913 /nfs/dbraw/zinc/87/59/13/860875913.db2.gz XTALVZPCEIZNBC-GOSISDBHSA-N 1 0 375.472 3.873 20 30 GHEDRO C[C@@H]1C(=O)Nc2cc(C(=O)N[C@@H]3C[N@H+](C)C[C@@H]3c3ccccc3)ccc2N1C ZINC000329019611 860952069 /nfs/dbraw/zinc/95/20/69/860952069.db2.gz LKTUZFIFSVTWOJ-LSBZLQRGSA-N 1 0 378.476 3.515 20 30 GHEDRO [NH2+]=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)Nc1ccccn1 ZINC000170904008 860960519 /nfs/dbraw/zinc/96/05/19/860960519.db2.gz JBGPYSGHNRWLIX-GOSISDBHSA-N 1 0 377.517 3.669 20 30 GHEDRO Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCCC34CC[NH+](C)CC4)cc2)n1 ZINC000329071102 860993991 /nfs/dbraw/zinc/99/39/91/860993991.db2.gz NPVSGYFAANRXEP-UHFFFAOYSA-N 1 0 395.551 3.506 20 30 GHEDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000329073472 860995327 /nfs/dbraw/zinc/99/53/27/860995327.db2.gz OVCAPRMIQBRVTI-CEXWTWQISA-N 1 0 380.444 3.508 20 30 GHEDRO COc1ccc(-c2cc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)on2)cc1 ZINC000603662572 860995428 /nfs/dbraw/zinc/99/54/28/860995428.db2.gz GTZQLIYCVJENEA-UHFFFAOYSA-N 1 0 388.471 3.934 20 30 GHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCN1C(=O)CSc2ccccc21 ZINC000329094533 861011775 /nfs/dbraw/zinc/01/17/75/861011775.db2.gz XQVUSKJSQHSLFN-CVEARBPZSA-N 1 0 375.538 3.592 20 30 GHEDRO O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329102198 861020158 /nfs/dbraw/zinc/02/01/58/861020158.db2.gz ZZCYCQNUATUSDB-RBUKOAKNSA-N 1 0 387.524 3.740 20 30 GHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000599334496 861049932 /nfs/dbraw/zinc/04/99/32/861049932.db2.gz GCXXSFYWOLCBIC-KRWDZBQOSA-N 1 0 394.968 3.968 20 30 GHEDRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599316947 861056339 /nfs/dbraw/zinc/05/63/39/861056339.db2.gz RTJHQOCYLPAOTE-ZFWWWQNUSA-N 1 0 383.319 3.984 20 30 GHEDRO Cc1nn(C)c(C)c1NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000329154824 861075920 /nfs/dbraw/zinc/07/59/20/861075920.db2.gz UVPLFRXYWYLXRR-JOCHJYFZSA-N 1 0 381.524 3.571 20 30 GHEDRO Cn1c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc2ccccc2c1=O ZINC000329153862 861075951 /nfs/dbraw/zinc/07/59/51/861075951.db2.gz BTJIJTBNOOVTSR-UHFFFAOYSA-N 1 0 399.560 3.595 20 30 GHEDRO C[C@H]1CC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC12CCC2 ZINC000329159265 861078581 /nfs/dbraw/zinc/07/85/81/861078581.db2.gz XLOALXKQKICYKD-HNNXBMFYSA-N 1 0 377.916 3.899 20 30 GHEDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1OC(F)F ZINC000599349419 861087599 /nfs/dbraw/zinc/08/75/99/861087599.db2.gz HVNAAIXCIZCDRQ-NVXWUHKLSA-N 1 0 376.403 3.640 20 30 GHEDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1OC(F)F ZINC000599349421 861087655 /nfs/dbraw/zinc/08/76/55/861087655.db2.gz HVNAAIXCIZCDRQ-WBVHZDCISA-N 1 0 376.403 3.640 20 30 GHEDRO Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000329182364 861114119 /nfs/dbraw/zinc/11/41/19/861114119.db2.gz NRVUVLZOVPVJDR-MRXNPFEDSA-N 1 0 383.540 3.959 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000599359195 861126336 /nfs/dbraw/zinc/12/63/36/861126336.db2.gz LDPXKVLOTLGXJP-KNQAVFIVSA-N 1 0 378.516 3.868 20 30 GHEDRO N#CC1(C[C@H](O)C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CCOCC1 ZINC000599362960 861127853 /nfs/dbraw/zinc/12/78/53/861127853.db2.gz TYBBBAZBOUQMJL-PZJWPPBQSA-N 1 0 399.922 3.680 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)CCOCC1 ZINC000599362924 861128960 /nfs/dbraw/zinc/12/89/60/861128960.db2.gz SIZKQOJKZVDGSA-KGLIPLIRSA-N 1 0 399.354 3.719 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)CCOCC1 ZINC000599362926 861129257 /nfs/dbraw/zinc/12/92/57/861129257.db2.gz SIZKQOJKZVDGSA-ZIAGYGMSSA-N 1 0 399.354 3.719 20 30 GHEDRO CC(C)C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@@H]1CCCc2cccnc21 ZINC000599381014 861133162 /nfs/dbraw/zinc/13/31/62/861133162.db2.gz UQKARPQHSXKXJR-LEWJYISDSA-N 1 0 379.504 3.729 20 30 GHEDRO CC(C)C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCCc2cccnc21 ZINC000599381015 861133450 /nfs/dbraw/zinc/13/34/50/861133450.db2.gz UQKARPQHSXKXJR-NHCUHLMSSA-N 1 0 379.504 3.729 20 30 GHEDRO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000329221490 861163761 /nfs/dbraw/zinc/16/37/61/861163761.db2.gz UWYCOJZNFFQPCI-KSZLIROESA-N 1 0 377.573 3.881 20 30 GHEDRO N#CCCCOc1cccc(CNc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000177327922 861183131 /nfs/dbraw/zinc/18/31/31/861183131.db2.gz CMPSHHFQZHZNKT-UHFFFAOYSA-N 1 0 379.504 3.938 20 30 GHEDRO COc1cc(C[NH2+]CCSCc2ccccc2C#N)c([N+](=O)[O-])cc1OC ZINC000171128821 863069160 /nfs/dbraw/zinc/06/91/60/863069160.db2.gz WATMBWLSJFBZDD-UHFFFAOYSA-N 1 0 387.461 3.507 20 30 GHEDRO Cc1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)ccc1C#N ZINC000443984038 863094670 /nfs/dbraw/zinc/09/46/70/863094670.db2.gz SFWIXCPETUMAMV-INIZCTEOSA-N 1 0 378.394 3.706 20 30 GHEDRO C[C@H](C#N)CNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000182418866 863220998 /nfs/dbraw/zinc/22/09/98/863220998.db2.gz HNVYIBSEYLMCGK-GOSISDBHSA-N 1 0 376.504 3.908 20 30 GHEDRO CCCc1c(NC(=O)NCC2(C)CC[NH+](C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439675993 863317110 /nfs/dbraw/zinc/31/71/10/863317110.db2.gz VXBXSHXTEBIBOZ-UHFFFAOYSA-N 1 0 394.523 3.550 20 30 GHEDRO N#CC1CCC(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000281709220 863326542 /nfs/dbraw/zinc/32/65/42/863326542.db2.gz OKACSLIKFAOKHL-UHFFFAOYSA-N 1 0 392.341 3.705 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc([S@@](C)=O)cc1 ZINC000160171650 863373578 /nfs/dbraw/zinc/37/35/78/863373578.db2.gz MFBZVIKTFZCSJO-BBXQPJIDSA-N 1 0 385.508 3.754 20 30 GHEDRO C[C@@]1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)OCCc2sccc21 ZINC000262379827 863373659 /nfs/dbraw/zinc/37/36/59/863373659.db2.gz OCPMBTANRFDPNO-INIZCTEOSA-N 1 0 385.411 3.861 20 30 GHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000444171749 863590477 /nfs/dbraw/zinc/59/04/77/863590477.db2.gz WFEDSEGTMVFILT-MRXNPFEDSA-N 1 0 388.581 3.633 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@@H](O)CO[C@H]3CCCc4ccccc43)CCC2)cc1 ZINC000594033190 863805153 /nfs/dbraw/zinc/80/51/53/863805153.db2.gz XSJDIXJSBLMTHI-GGAORHGYSA-N 1 0 376.500 3.982 20 30 GHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032620 863821994 /nfs/dbraw/zinc/82/19/94/863821994.db2.gz YMEGGKCMZUAMQJ-UHFFFAOYSA-N 1 0 399.498 3.968 20 30 GHEDRO CCCC[N@H+](C)CC1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000733997192 863933533 /nfs/dbraw/zinc/93/35/33/863933533.db2.gz SUSZIFKQQQDAEN-GOSISDBHSA-N 1 0 398.576 3.916 20 30 GHEDRO CC(C)[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC000480052272 863941435 /nfs/dbraw/zinc/94/14/35/863941435.db2.gz WPILCWIUZBMLIF-JOCHJYFZSA-N 1 0 379.552 3.949 20 30 GHEDRO CC(C)C[C@@](C)([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(Br)c1 ZINC000554250926 864002059 /nfs/dbraw/zinc/00/20/59/864002059.db2.gz VWCFINSYTSRXBV-GOSISDBHSA-N 1 0 392.341 3.862 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccnc2OCc2ccccc2F)CC1 ZINC000480152038 864151078 /nfs/dbraw/zinc/15/10/78/864151078.db2.gz WZEKOODSRRBFGA-UHFFFAOYSA-N 1 0 383.467 3.570 20 30 GHEDRO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000734363744 864177669 /nfs/dbraw/zinc/17/76/69/864177669.db2.gz ONRKOSVFGRDQET-WOCWXWTJSA-N 1 0 387.597 3.568 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)sc2c1CCCCC2 ZINC000532312282 881743934 /nfs/dbraw/zinc/74/39/34/881743934.db2.gz DWAIFKSSXLLBDH-QAPCUYQASA-N 1 0 387.549 3.718 20 30 GHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2)CC1 ZINC000792843403 881747784 /nfs/dbraw/zinc/74/77/84/881747784.db2.gz YQHYTRYBJJZDPN-FQEVSTJZSA-N 1 0 376.504 3.855 20 30 GHEDRO [NH2+]=C(NC[C@H](O)c1cc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 ZINC000262436497 864329447 /nfs/dbraw/zinc/32/94/47/864329447.db2.gz TYCJHXLPOMGPKT-HNNXBMFYSA-N 1 0 383.473 3.523 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000475162923 864366380 /nfs/dbraw/zinc/36/63/80/864366380.db2.gz GJAWUICMXUAKDF-UHFFFAOYSA-N 1 0 376.460 3.802 20 30 GHEDRO Oc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897053549 864368071 /nfs/dbraw/zinc/36/80/71/864368071.db2.gz BWPNAWOYNYNWJK-AOOOYVTPSA-N 1 0 375.259 3.995 20 30 GHEDRO Cc1ccc(O)c(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000897055047 864371264 /nfs/dbraw/zinc/37/12/64/864371264.db2.gz MFTQGDRBECILEE-IUCAKERBSA-N 1 0 390.274 3.698 20 30 GHEDRO C=CC[C@@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000734684587 864383346 /nfs/dbraw/zinc/38/33/46/864383346.db2.gz WEGYMFFLQYLKAF-FCHUYYIVSA-N 1 0 393.535 3.790 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(OCC4CC4)cc3)C2=O)cc1 ZINC000480304389 864449297 /nfs/dbraw/zinc/44/92/97/864449297.db2.gz BYCZBWLFKGPZCS-QFIPXVFZSA-N 1 0 375.472 3.632 20 30 GHEDRO CC(C)[C@@H]1CCC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262463969 864580585 /nfs/dbraw/zinc/58/05/85/864580585.db2.gz YAEVDBHTGNIYBO-NSHGMRRFSA-N 1 0 397.629 3.504 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000554618867 864623206 /nfs/dbraw/zinc/62/32/06/864623206.db2.gz JXLHCJFYKJFQRE-PMACEKPBSA-N 1 0 394.567 3.925 20 30 GHEDRO CC1(C#N)CCN(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000898800446 864645459 /nfs/dbraw/zinc/64/54/59/864645459.db2.gz VCQZDGAJHBEIOU-UHFFFAOYSA-N 1 0 376.504 3.701 20 30 GHEDRO CC[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CC[C@H](c2ccccc2)C1 ZINC000262475602 864838577 /nfs/dbraw/zinc/83/85/77/864838577.db2.gz PZJPTSDMUHPFPH-NRFANRHFSA-N 1 0 388.519 3.531 20 30 GHEDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(C#N)ccc1C(F)(F)F ZINC000475386709 864920214 /nfs/dbraw/zinc/92/02/14/864920214.db2.gz JTPHKUPKGSUALI-HNNXBMFYSA-N 1 0 389.425 3.595 20 30 GHEDRO N#CCOc1ccc(C[NH+]2CCN(c3cccc(Br)c3)CC2)cc1 ZINC000792933075 881824512 /nfs/dbraw/zinc/82/45/12/881824512.db2.gz HEBPJHKLGDJHIG-UHFFFAOYSA-N 1 0 386.293 3.674 20 30 GHEDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000554849190 865037762 /nfs/dbraw/zinc/03/77/62/865037762.db2.gz WRCIKQLHZBGBOO-ZIAGYGMSSA-N 1 0 386.293 3.849 20 30 GHEDRO C[C@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccc(C#N)cc1 ZINC000554848960 865039445 /nfs/dbraw/zinc/03/94/45/865039445.db2.gz ULMMGLATHHBLLG-INIZCTEOSA-N 1 0 397.548 3.536 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000189391535 881839642 /nfs/dbraw/zinc/83/96/42/881839642.db2.gz FQLDKDOLWLFZOT-UHFFFAOYSA-N 1 0 399.457 3.766 20 30 GHEDRO N#CC(CC[N@H+]1CCC[C@@H](CCC(N)=O)C1)(c1ccccc1)c1ccccc1 ZINC000193048419 865156164 /nfs/dbraw/zinc/15/61/64/865156164.db2.gz RQYBBIKQXVBOHT-FQEVSTJZSA-N 1 0 375.516 3.864 20 30 GHEDRO N#Cc1ccc2c(c1)CN(C(=O)NC1CC[NH+](Cc3ccc(Cl)cc3)CC1)C2 ZINC000594211292 865385591 /nfs/dbraw/zinc/38/55/91/865385591.db2.gz VZIUAXVFMXXMSX-UHFFFAOYSA-N 1 0 394.906 3.901 20 30 GHEDRO C#Cc1cccc(NC(=O)C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)c1 ZINC000737300743 865388520 /nfs/dbraw/zinc/38/85/20/865388520.db2.gz MOKNISYLMUPUOY-GOSISDBHSA-N 1 0 391.515 3.632 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000738105762 865491974 /nfs/dbraw/zinc/49/19/74/865491974.db2.gz CSKLHLCCVDKVCL-CTNGQTDRSA-N 1 0 377.536 3.966 20 30 GHEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555132540 865552651 /nfs/dbraw/zinc/55/26/51/865552651.db2.gz WFPNLGCPSKIASK-VHSSKADRSA-N 1 0 381.923 3.673 20 30 GHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000555268099 865803327 /nfs/dbraw/zinc/80/33/27/865803327.db2.gz GHWURBACHBYYHI-UHFFFAOYSA-N 1 0 392.551 3.893 20 30 GHEDRO COc1ccc(CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc2)cc1 ZINC000608909613 865809296 /nfs/dbraw/zinc/80/92/96/865809296.db2.gz LGBIAWREXCMCDA-XMMPIXPASA-N 1 0 393.531 3.794 20 30 GHEDRO Cn1ccc2c1cccc2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000608892766 865820026 /nfs/dbraw/zinc/82/00/26/865820026.db2.gz HWXJAOQSRLHVMC-UHFFFAOYSA-N 1 0 387.487 3.790 20 30 GHEDRO COC(=O)[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000739991688 865820432 /nfs/dbraw/zinc/82/04/32/865820432.db2.gz ZCDVOYSKQXWCEL-HSZRJFAPSA-N 1 0 391.515 3.794 20 30 GHEDRO COC(=O)[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000739988957 865820563 /nfs/dbraw/zinc/82/05/63/865820563.db2.gz GQOJPVDJEJEBLR-HSZRJFAPSA-N 1 0 391.515 3.794 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)s1 ZINC000740049560 865836450 /nfs/dbraw/zinc/83/64/50/865836450.db2.gz XARCVXDGDLPFJC-RTBURBONSA-N 1 0 380.517 3.713 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000174564499 865889726 /nfs/dbraw/zinc/88/97/26/865889726.db2.gz KTABXKSQTPXAQX-SFHVURJKSA-N 1 0 378.520 3.802 20 30 GHEDRO CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029802 865906107 /nfs/dbraw/zinc/90/61/07/865906107.db2.gz CQLBRMVAAGEMKX-UHFFFAOYSA-N 1 0 384.911 3.734 20 30 GHEDRO COc1ccccc1[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000109015419 865911098 /nfs/dbraw/zinc/91/10/98/865911098.db2.gz RANBSUAIFQGJDJ-HSZRJFAPSA-N 1 0 388.467 3.969 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000740736432 865974066 /nfs/dbraw/zinc/97/40/66/865974066.db2.gz UEBLSCIKMIHFIH-UHFFFAOYSA-N 1 0 392.343 3.942 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)CCSc2ccc(Br)cc2)CC1 ZINC000740737977 865976176 /nfs/dbraw/zinc/97/61/76/865976176.db2.gz OZEXNLZNIZYQQY-UHFFFAOYSA-N 1 0 395.366 3.535 20 30 GHEDRO Cc1cc(N2CCC[C@@H]([NH+]3CCC(CC#N)CC3)C2=O)ccc1Br ZINC000547336014 865992952 /nfs/dbraw/zinc/99/29/52/865992952.db2.gz IROZDNNREJUPPI-GOSISDBHSA-N 1 0 390.325 3.879 20 30 GHEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000740886924 866077467 /nfs/dbraw/zinc/07/74/67/866077467.db2.gz HCGOKSWCHRUKBM-AEFFLSMTSA-N 1 0 380.492 3.802 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccccc2CN2CCCC2=O)cc1 ZINC000303902879 866397873 /nfs/dbraw/zinc/39/78/73/866397873.db2.gz UGUSYSTZRCBGOY-UHFFFAOYSA-N 1 0 380.492 3.523 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC000857069834 881981525 /nfs/dbraw/zinc/98/15/25/881981525.db2.gz VFZLVANYPRLDAA-TVTNDZMWSA-N 1 0 385.508 3.857 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000741503614 866553042 /nfs/dbraw/zinc/55/30/42/866553042.db2.gz VTPNOXJTCIXKQM-UHFFFAOYSA-N 1 0 397.519 3.789 20 30 GHEDRO C#CCOc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)cc1 ZINC000741521806 866571967 /nfs/dbraw/zinc/57/19/67/866571967.db2.gz BVXFUVHIEXRLQL-JOCHJYFZSA-N 1 0 380.488 3.520 20 30 GHEDRO [NH2+]=C(NCc1cccnc1OCC(F)F)Nc1ccc(OC(F)(F)F)cc1 ZINC000305713249 866629878 /nfs/dbraw/zinc/62/98/78/866629878.db2.gz GHUPFBSOYIVCOR-UHFFFAOYSA-N 1 0 390.312 3.551 20 30 GHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000909605369 866863807 /nfs/dbraw/zinc/86/38/07/866863807.db2.gz XAEXJMGNOAZWMK-GOSISDBHSA-N 1 0 380.467 3.532 20 30 GHEDRO OC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000534512528 866916428 /nfs/dbraw/zinc/91/64/28/866916428.db2.gz APSGKEJQYBZSOR-GXSJLCMTSA-N 1 0 399.253 3.962 20 30 GHEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000456727574 867071014 /nfs/dbraw/zinc/07/10/14/867071014.db2.gz TYGGQOOVQNSNKN-UHFFFAOYSA-N 1 0 396.457 3.945 20 30 GHEDRO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000742150733 867104851 /nfs/dbraw/zinc/10/48/51/867104851.db2.gz XCJDXKNSJXGPCG-GOSISDBHSA-N 1 0 388.471 3.691 20 30 GHEDRO CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000523337711 867107094 /nfs/dbraw/zinc/10/70/94/867107094.db2.gz SVAICUGFTNHFIT-PGRDOPGGSA-N 1 0 376.504 3.775 20 30 GHEDRO C#Cc1cccc(N(CC)C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000742251839 867139128 /nfs/dbraw/zinc/13/91/28/867139128.db2.gz JVFNAAACBWULKM-UHFFFAOYSA-N 1 0 375.516 3.542 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H](C(C)C)C2)c1C#N ZINC000444772660 867212346 /nfs/dbraw/zinc/21/23/46/867212346.db2.gz XDZLHXVZXAGWAZ-GOSISDBHSA-N 1 0 382.508 3.924 20 30 GHEDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000444774058 867214326 /nfs/dbraw/zinc/21/43/26/867214326.db2.gz HISTUDIVUGRIBV-UZLBHIALSA-N 1 0 375.538 3.504 20 30 GHEDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000444774057 867214731 /nfs/dbraw/zinc/21/47/31/867214731.db2.gz HISTUDIVUGRIBV-OXQOHEQNSA-N 1 0 375.538 3.504 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1C#N ZINC000742367562 867240324 /nfs/dbraw/zinc/24/03/24/867240324.db2.gz YQZBMFICHLOCST-IYBDPMFKSA-N 1 0 383.467 3.609 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNc1ccc(C#N)cc1 ZINC000050032926 882063647 /nfs/dbraw/zinc/06/36/47/882063647.db2.gz IDKYCWWVDXKMIN-GOSISDBHSA-N 1 0 376.504 3.661 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000742371344 867266333 /nfs/dbraw/zinc/26/63/33/867266333.db2.gz RLKBWGPWHNZZNG-HNNXBMFYSA-N 1 0 390.386 3.987 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000534694590 867307180 /nfs/dbraw/zinc/30/71/80/867307180.db2.gz GFNZVYYIKIVQLN-GHTZIAJQSA-N 1 0 391.515 3.682 20 30 GHEDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C12CCCCC2 ZINC000429794549 867313215 /nfs/dbraw/zinc/31/32/15/867313215.db2.gz XIANMKQYZSJVFD-IRXDYDNUSA-N 1 0 375.538 3.893 20 30 GHEDRO N#CC1(NC(=O)COc2ccc3ccccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479237128 867386408 /nfs/dbraw/zinc/38/64/08/867386408.db2.gz BTZBVDACMFOMKF-UHFFFAOYSA-N 1 0 399.494 3.893 20 30 GHEDRO CCc1ccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479242688 867398741 /nfs/dbraw/zinc/39/87/41/867398741.db2.gz LHXNXHNLFMVRTN-UHFFFAOYSA-N 1 0 375.516 3.856 20 30 GHEDRO N#CC1(NC(=O)c2ccccc2OCC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000479278064 867468789 /nfs/dbraw/zinc/46/87/89/867468789.db2.gz ICFRDOGCODWWGW-UHFFFAOYSA-N 1 0 389.499 3.764 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000479284755 867484013 /nfs/dbraw/zinc/48/40/13/867484013.db2.gz MTFTYQCROWXFTN-OALUTQOASA-N 1 0 375.561 3.815 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC000793343483 882091893 /nfs/dbraw/zinc/09/18/93/882091893.db2.gz MXFQCUKCQDVMRV-MBSDFSHPSA-N 1 0 393.487 3.868 20 30 GHEDRO CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457061837 867596143 /nfs/dbraw/zinc/59/61/43/867596143.db2.gz CCAGCJLKPFTAIL-UHFFFAOYSA-N 1 0 399.432 3.850 20 30 GHEDRO Cc1cc(C)c(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000479336654 867613491 /nfs/dbraw/zinc/61/34/91/867613491.db2.gz ALQHTVSJPUSXEH-UHFFFAOYSA-N 1 0 375.516 3.829 20 30 GHEDRO Cc1cccc(CSCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479338939 867620646 /nfs/dbraw/zinc/62/06/46/867620646.db2.gz GFJSEGGCSLXFGC-UHFFFAOYSA-N 1 0 393.556 3.903 20 30 GHEDRO COc1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000534841449 867621843 /nfs/dbraw/zinc/62/18/43/867621843.db2.gz TYPFEOYPZORRTO-UHFFFAOYSA-N 1 0 391.515 3.660 20 30 GHEDRO COc1cc2[nH]c(CCC[NH2+]Cc3ccc(C#N)c(OC)c3)cc2c(OC)c1 ZINC000440644749 867713197 /nfs/dbraw/zinc/71/31/97/867713197.db2.gz KTJCWLOPMHOGPR-UHFFFAOYSA-N 1 0 379.460 3.788 20 30 GHEDRO C[C@@H]1C[N@H+](CCCNc2c(Br)cc(Cl)cc2C#N)CCCO1 ZINC000553583196 867728624 /nfs/dbraw/zinc/72/86/24/867728624.db2.gz LSKPFLFRTWBNJH-GFCCVEGCSA-N 1 0 386.721 3.887 20 30 GHEDRO C[N@@H+]1CCCC12CCN(c1c(C#N)cnc3c(Br)cccc31)CC2 ZINC000440656854 867792520 /nfs/dbraw/zinc/79/25/20/867792520.db2.gz BZMMTIFDAUJMDB-UHFFFAOYSA-N 1 0 385.309 3.934 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)C(N)=O)cc1 ZINC000479505585 867905835 /nfs/dbraw/zinc/90/58/35/867905835.db2.gz SEDNNJGDUACUHT-GOSISDBHSA-N 1 0 387.270 3.705 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000743202315 867955726 /nfs/dbraw/zinc/95/57/26/867955726.db2.gz BIMDTTGAEKPPFQ-GOSISDBHSA-N 1 0 395.478 3.966 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000743354702 868103742 /nfs/dbraw/zinc/10/37/42/868103742.db2.gz YXNMYUTXLQCQCM-UHFFFAOYSA-N 1 0 394.548 3.689 20 30 GHEDRO C=CC[C@@H]1N(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCCC1(C)C ZINC000445254446 868108379 /nfs/dbraw/zinc/10/83/79/868108379.db2.gz VXNJBTGEQUAEPJ-RTWAWAEBSA-N 1 0 385.552 3.530 20 30 GHEDRO Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)cc1 ZINC000065353539 868204939 /nfs/dbraw/zinc/20/49/39/868204939.db2.gz YNDZXRJPJSADRZ-GOTSBHOMSA-N 1 0 378.516 3.756 20 30 GHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669804355 868266049 /nfs/dbraw/zinc/26/60/49/868266049.db2.gz WWGYPDZXIYLQPX-UHFFFAOYSA-N 1 0 394.567 3.927 20 30 GHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000544401059 868286836 /nfs/dbraw/zinc/28/68/36/868286836.db2.gz WQALFLAZCFNWIV-MOPGFXCFSA-N 1 0 392.341 3.591 20 30 GHEDRO COC(=O)c1cccc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000535226406 868405464 /nfs/dbraw/zinc/40/54/64/868405464.db2.gz NSYWQCLJCWSOFZ-UHFFFAOYSA-N 1 0 397.906 3.706 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C=NOC)cc1 ZINC000743782191 868410151 /nfs/dbraw/zinc/41/01/51/868410151.db2.gz LDLHWBYSRFDDBK-OAQYLSRUSA-N 1 0 379.504 3.651 20 30 GHEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)CC1CCN(c2ccccn2)CC1 ZINC000743874149 868471494 /nfs/dbraw/zinc/47/14/94/868471494.db2.gz UEWCMKSAJWLNQZ-UHFFFAOYSA-N 1 0 378.520 3.961 20 30 GHEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000457582102 868488138 /nfs/dbraw/zinc/48/81/38/868488138.db2.gz PWKWSNPAVUDYCC-UNMCSNQZSA-N 1 0 399.535 3.811 20 30 GHEDRO N#Cc1ccncc1C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000553976041 868550858 /nfs/dbraw/zinc/55/08/58/868550858.db2.gz ATPSSGXMRDSAMQ-UHFFFAOYSA-N 1 0 384.483 3.776 20 30 GHEDRO Cc1ccc2c(c1)nc(CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)n2C ZINC000183892140 868575866 /nfs/dbraw/zinc/57/58/66/868575866.db2.gz HIOTYHUVPZAFKH-UHFFFAOYSA-N 1 0 377.370 3.707 20 30 GHEDRO C=CC[N@H+](CCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000744211296 868667469 /nfs/dbraw/zinc/66/74/69/868667469.db2.gz KVFOPMOQKAQWHW-FQEVSTJZSA-N 1 0 382.467 3.954 20 30 GHEDRO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C1CCCCC1 ZINC000744212525 868667600 /nfs/dbraw/zinc/66/76/00/868667600.db2.gz FCLRXUYOWOQJQT-OAQYLSRUSA-N 1 0 396.531 3.779 20 30 GHEDRO CCN1CC[C@H](NC(=O)c2cc(C)c(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457718499 868679648 /nfs/dbraw/zinc/67/96/48/868679648.db2.gz VVFVKJGGABQEAW-HKUYNNGSSA-N 1 0 386.858 3.620 20 30 GHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669814829 868784902 /nfs/dbraw/zinc/78/49/02/868784902.db2.gz RYPJREJLYGERGP-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000524260152 868806791 /nfs/dbraw/zinc/80/67/91/868806791.db2.gz JMWXQXOZENMGCI-NYLDSWQDSA-N 1 0 396.535 3.518 20 30 GHEDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158065057 868847200 /nfs/dbraw/zinc/84/72/00/868847200.db2.gz YPDSPOZUDRMTFT-KRWDZBQOSA-N 1 0 382.426 3.565 20 30 GHEDRO NC(=[NH+]OCc1ccn(-c2ccccc2)n1)c1ccc(N2CCCCC2)cc1 ZINC000744445973 868847483 /nfs/dbraw/zinc/84/74/83/868847483.db2.gz KTOHEMRFTMWKPO-UHFFFAOYSA-N 1 0 375.476 3.700 20 30 GHEDRO Cc1ccccc1-c1noc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)n1 ZINC000744445655 868847936 /nfs/dbraw/zinc/84/79/36/868847936.db2.gz DEZOZNMAPGPVIC-UHFFFAOYSA-N 1 0 391.475 3.872 20 30 GHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000524415799 869040268 /nfs/dbraw/zinc/04/02/68/869040268.db2.gz SEWPGJVUVWGGIK-KRWDZBQOSA-N 1 0 395.503 3.971 20 30 GHEDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000539459218 869174479 /nfs/dbraw/zinc/17/44/79/869174479.db2.gz SQHZSPMYZKWKIU-UHFFFAOYSA-N 1 0 394.450 3.660 20 30 GHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000446060800 869352767 /nfs/dbraw/zinc/35/27/67/869352767.db2.gz JEALQVMYKZYAAV-HXUWFJFHSA-N 1 0 379.504 3.553 20 30 GHEDRO CCCC[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000524710941 869478842 /nfs/dbraw/zinc/47/88/42/869478842.db2.gz UKOSOFSZYAAEOY-UHFFFAOYSA-N 1 0 397.548 3.992 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000609098063 869490099 /nfs/dbraw/zinc/49/00/99/869490099.db2.gz BSYRROJAWXLOKM-PMACEKPBSA-N 1 0 394.544 3.542 20 30 GHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000462476108 869501736 /nfs/dbraw/zinc/50/17/36/869501736.db2.gz RLKFQTOSETUXIZ-UHFFFAOYSA-N 1 0 394.519 3.620 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000462670812 869879726 /nfs/dbraw/zinc/87/97/26/869879726.db2.gz VUHNTFPXWJXQRY-APWZRJJASA-N 1 0 379.508 3.757 20 30 GHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000539932976 870030651 /nfs/dbraw/zinc/03/06/51/870030651.db2.gz ZUSVBEZNPYSHQW-NRFANRHFSA-N 1 0 395.528 3.612 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000746198709 870105477 /nfs/dbraw/zinc/10/54/77/870105477.db2.gz YRDOQMPLBVSHBG-XADARROHSA-N 1 0 386.536 3.757 20 30 GHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000462828809 870140602 /nfs/dbraw/zinc/14/06/02/870140602.db2.gz QPPOWWXMYNQPIL-UHFFFAOYSA-N 1 0 392.478 3.919 20 30 GHEDRO C=CCCN(C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000466979657 870208912 /nfs/dbraw/zinc/20/89/12/870208912.db2.gz UCHSKBWDEOWFMT-UHFFFAOYSA-N 1 0 392.547 3.726 20 30 GHEDRO CC[C@H](O)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000441078852 870242200 /nfs/dbraw/zinc/24/22/00/870242200.db2.gz JMGNPJDVQNTQFF-IBGZPJMESA-N 1 0 385.895 3.813 20 30 GHEDRO CC(C)c1ccccc1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000538693317 870315082 /nfs/dbraw/zinc/31/50/82/870315082.db2.gz DLAOIQFBOYLPSM-UHFFFAOYSA-N 1 0 391.515 3.863 20 30 GHEDRO CCC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001192514925 870447551 /nfs/dbraw/zinc/44/75/51/870447551.db2.gz JPMNGMZXHHTZLX-PKTZIBPZSA-N 1 0 391.515 3.759 20 30 GHEDRO CC[N@H+](CCC1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1)CC(C)C ZINC000540197932 870739227 /nfs/dbraw/zinc/73/92/27/870739227.db2.gz VDUSJVUGRWFOAY-LJQANCHMSA-N 1 0 384.568 3.965 20 30 GHEDRO CCCCCCC[C@H](C)NC(=O)N1CCC2(CC1)c1ncc(C)n1CCN2C ZINC001192927545 870792458 /nfs/dbraw/zinc/79/24/58/870792458.db2.gz SKDVKQNKCHIUAX-SFHVURJKSA-N 1 0 389.588 3.887 20 30 GHEDRO N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168816747 870835768 /nfs/dbraw/zinc/83/57/68/870835768.db2.gz SOZUHRKYCDLDRZ-LLVKDONJSA-N 1 0 391.784 3.780 20 30 GHEDRO C[C@@H]1C[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168825122 870878198 /nfs/dbraw/zinc/87/81/98/870878198.db2.gz RLDCAUMZGPTTHW-QUCCMNQESA-N 1 0 398.551 3.532 20 30 GHEDRO Cc1cccc(N2CCN(CCC[NH2+][C@H](C)c3ccc(OCC#N)cc3)CC2)c1 ZINC000181441396 871017028 /nfs/dbraw/zinc/01/70/28/871017028.db2.gz WMEYVAQINSBPLW-OAQYLSRUSA-N 1 0 392.547 3.760 20 30 GHEDRO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000540325533 871023596 /nfs/dbraw/zinc/02/35/96/871023596.db2.gz LSBUWJXLMGCSEN-MRXNPFEDSA-N 1 0 382.891 3.700 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)C[NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)CCCCC2 ZINC000429713103 871031765 /nfs/dbraw/zinc/03/17/65/871031765.db2.gz VAMBASDCBCGUEZ-YSGRDPCXSA-N 1 0 399.560 3.764 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1 ZINC000429701081 871051107 /nfs/dbraw/zinc/05/11/07/871051107.db2.gz JVQRTXLMXMFMPT-QHCPKHFHSA-N 1 0 393.531 3.900 20 30 GHEDRO N#Cc1cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)nc(C(F)(F)F)c1 ZINC001168996665 871082363 /nfs/dbraw/zinc/08/23/63/871082363.db2.gz WJFUMMNFAOVWFV-UHFFFAOYSA-N 1 0 379.773 3.856 20 30 GHEDRO CN(CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000181547395 871175908 /nfs/dbraw/zinc/17/59/08/871175908.db2.gz WDQSRTBCJGROTN-UHFFFAOYSA-N 1 0 380.511 3.778 20 30 GHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000525678265 871218833 /nfs/dbraw/zinc/21/88/33/871218833.db2.gz FGPBWRSZHWOSPM-IBGZPJMESA-N 1 0 378.476 3.692 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CC2CCC2)c(OC)c1 ZINC001193742969 871259252 /nfs/dbraw/zinc/25/92/52/871259252.db2.gz GLVOGOZIBLTELW-JOCHJYFZSA-N 1 0 380.488 3.911 20 30 GHEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000181636794 871319783 /nfs/dbraw/zinc/31/97/83/871319783.db2.gz FSCCJDVMISRKPJ-LJQANCHMSA-N 1 0 378.444 3.597 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463270654 871339167 /nfs/dbraw/zinc/33/91/67/871339167.db2.gz YQKZZPCSDUHHFO-CVDCTZTESA-N 1 0 390.531 3.999 20 30 GHEDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000428809672 871397873 /nfs/dbraw/zinc/39/78/73/871397873.db2.gz WFLHPNBBBVAXQY-HXUWFJFHSA-N 1 0 399.288 3.637 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](CC)Cc1ccc3c(c1)OCO3)CC2 ZINC001170441723 882521314 /nfs/dbraw/zinc/52/13/14/882521314.db2.gz KFBLHQAYBMFGCV-WMZHIEFXSA-N 1 0 384.520 3.770 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ncc(Cl)cc3Cl)CC2)cc1 ZINC000181935210 871659490 /nfs/dbraw/zinc/65/94/90/871659490.db2.gz NEAOCRNMWIDMEA-UHFFFAOYSA-N 1 0 375.303 3.968 20 30 GHEDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000441278265 871767073 /nfs/dbraw/zinc/76/70/73/871767073.db2.gz PEFORAOZASPUJO-JQFCIGGWSA-N 1 0 375.538 3.763 20 30 GHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)c1 ZINC000539361975 871828724 /nfs/dbraw/zinc/82/87/24/871828724.db2.gz KAOGXVDICLADLR-DEOSSOPVSA-N 1 0 399.494 3.722 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cccc4c3OCCCO4)CC2)nc1 ZINC000092854128 871859075 /nfs/dbraw/zinc/85/90/75/871859075.db2.gz WTXJAYIPFWHHNU-UHFFFAOYSA-N 1 0 379.460 3.594 20 30 GHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460270952 871911814 /nfs/dbraw/zinc/91/18/14/871911814.db2.gz PDAJOAREUGTALG-UHFFFAOYSA-N 1 0 386.503 3.549 20 30 GHEDRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2ccc(C#CBr)cc2)CC1 ZINC001194827402 871974870 /nfs/dbraw/zinc/97/48/70/871974870.db2.gz MRDWCSDLTHKWHR-HDICACEKSA-N 1 0 377.326 3.773 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191687151 882566058 /nfs/dbraw/zinc/56/60/58/882566058.db2.gz FNZCFBFLUIZZFB-UHFFFAOYSA-N 1 0 398.454 3.834 20 30 GHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776987329 882567954 /nfs/dbraw/zinc/56/79/54/882567954.db2.gz PRWCXGPIDUZZCY-PGRDOPGGSA-N 1 0 399.897 3.897 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618798031 872006668 /nfs/dbraw/zinc/00/66/68/872006668.db2.gz NTACQFNFPHPZPD-HSZRJFAPSA-N 1 0 388.515 3.818 20 30 GHEDRO CC[NH+]1CCC(C(=O)N2CCc3c(CC#N)cccc3C2)(c2ccccc2)CC1 ZINC001169913023 872007776 /nfs/dbraw/zinc/00/77/76/872007776.db2.gz RHPOQEIFQSGJEP-UHFFFAOYSA-N 1 0 387.527 3.691 20 30 GHEDRO C[C@@H](CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21)[N@H+](C)Cc1ccccc1 ZINC000618819697 872026681 /nfs/dbraw/zinc/02/66/81/872026681.db2.gz JODGFZQSELYMCS-JTSKRJEESA-N 1 0 376.504 3.755 20 30 GHEDRO C[NH+](C)CC1(C(=O)N[C@@H](C#N)c2ccccc2Br)CCCCC1 ZINC000618833688 872036797 /nfs/dbraw/zinc/03/67/97/872036797.db2.gz KJOPCMODVITUJE-INIZCTEOSA-N 1 0 378.314 3.642 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000775625716 872059270 /nfs/dbraw/zinc/05/92/70/872059270.db2.gz GKUFFZQKILWIAE-ROUUACIJSA-N 1 0 390.524 3.968 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618847272 872070328 /nfs/dbraw/zinc/07/03/28/872070328.db2.gz HFTJUKPMGWEJFE-ZWCUEREDSA-N 1 0 380.536 3.842 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618849318 872071689 /nfs/dbraw/zinc/07/16/89/872071689.db2.gz OTEITOKFEYAAIM-QHCPKHFHSA-N 1 0 388.515 3.772 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2cccc(C)c2)cc1 ZINC000101535058 872071802 /nfs/dbraw/zinc/07/18/02/872071802.db2.gz OHUAIUGFHNZJSS-UHFFFAOYSA-O 1 0 381.443 3.936 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NCC(F)(F)F)cc1 ZINC000101535085 872072258 /nfs/dbraw/zinc/07/22/58/872072258.db2.gz NWNYJDHCEBIPHE-UHFFFAOYSA-O 1 0 389.369 3.651 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NCC(F)(F)F)cc1 ZINC000101535165 872072598 /nfs/dbraw/zinc/07/25/98/872072598.db2.gz ULOBCLLFODWAJX-UHFFFAOYSA-O 1 0 381.443 3.990 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cccc(OC)c2)C(=S)NCC(F)(F)F)cc1 ZINC000101535101 872072655 /nfs/dbraw/zinc/07/26/55/872072655.db2.gz SBOHXWZOYVCHCL-UHFFFAOYSA-O 1 0 397.442 3.636 20 30 GHEDRO C[C@@H](CCNC(=O)c1occc1COc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000182244294 872104196 /nfs/dbraw/zinc/10/41/96/872104196.db2.gz PYTVHLZUCDVMMR-KRWDZBQOSA-N 1 0 381.476 3.725 20 30 GHEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000526110367 872143099 /nfs/dbraw/zinc/14/30/99/872143099.db2.gz OBPXTYHXKUMKLZ-BSFYPJFYSA-N 1 0 378.476 3.952 20 30 GHEDRO C=CCCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)cc1 ZINC001195123625 872185372 /nfs/dbraw/zinc/18/53/72/872185372.db2.gz VTWWSWCNHNDXII-UYAOXDASSA-N 1 0 397.544 3.835 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000477966553 872227950 /nfs/dbraw/zinc/22/79/50/872227950.db2.gz OTUNJSWAQRTYRK-XZOQPEGZSA-N 1 0 390.531 3.968 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540862508 872337511 /nfs/dbraw/zinc/33/75/11/872337511.db2.gz FSHCRFUHYXCJLN-IEBWSBKVSA-N 1 0 385.556 3.621 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNC(=O)c1cc(C)cc(C#N)c1)c1ccc(Cl)cc1 ZINC001195448744 872395344 /nfs/dbraw/zinc/39/53/44/872395344.db2.gz VZIRNWUJEOUKNB-FQEVSTJZSA-N 1 0 385.895 3.569 20 30 GHEDRO Cc1cc(C#N)cc(C(=O)Nc2c(F)cccc2OCC2CC[NH+](C)CC2)c1 ZINC001195429420 872418109 /nfs/dbraw/zinc/41/81/09/872418109.db2.gz KPAJJFNVGOEOEX-UHFFFAOYSA-N 1 0 381.451 3.979 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000463764385 872525445 /nfs/dbraw/zinc/52/54/45/872525445.db2.gz GNYRQINRHRUVJJ-OALUTQOASA-N 1 0 386.536 3.987 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccnn3-c3ccccc3)C2)c(F)c1 ZINC000447933886 872569261 /nfs/dbraw/zinc/56/92/61/872569261.db2.gz YNPGEGQZVFWIIW-GOSISDBHSA-N 1 0 375.451 3.642 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc(C#N)c2)C12CCCC2 ZINC001195844297 872710844 /nfs/dbraw/zinc/71/08/44/872710844.db2.gz ZXPLFDZMCVGGGZ-RBUKOAKNSA-N 1 0 385.508 3.503 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](C)c2cccnc2)c1C#N ZINC000182881676 872887856 /nfs/dbraw/zinc/88/78/56/872887856.db2.gz ZZPUXUOBGRLWTM-OAHLLOKOSA-N 1 0 391.450 3.789 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000541087540 872895867 /nfs/dbraw/zinc/89/58/67/872895867.db2.gz VAEJUUPHNFAUJC-PNLZDCPESA-N 1 0 377.488 3.560 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000619754757 872965007 /nfs/dbraw/zinc/96/50/07/872965007.db2.gz KAJCAVBRWHDKGU-IBGZPJMESA-N 1 0 385.895 3.920 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1Cl ZINC000619748926 872985908 /nfs/dbraw/zinc/98/59/08/872985908.db2.gz YWASGLOTNHYDPQ-UHFFFAOYSA-N 1 0 380.835 3.663 20 30 GHEDRO C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000145379509 873008891 /nfs/dbraw/zinc/00/88/91/873008891.db2.gz YITCGZQIHRGPBS-INIZCTEOSA-N 1 0 382.533 3.892 20 30 GHEDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=S)Nc3ccccc3C#N)CC2)c1 ZINC001196343528 873044146 /nfs/dbraw/zinc/04/41/46/873044146.db2.gz LKRLHCZOWOIJAB-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1Br ZINC000619816003 873045914 /nfs/dbraw/zinc/04/59/14/873045914.db2.gz HAAVOKQSWAQQAA-SJORKVTESA-N 1 0 383.293 3.875 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145413764 873100272 /nfs/dbraw/zinc/10/02/72/873100272.db2.gz OULKWHASOXGJSS-UHFFFAOYSA-N 1 0 382.533 3.673 20 30 GHEDRO Cc1cccc(C)c1OC[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000527377230 873116681 /nfs/dbraw/zinc/11/66/81/873116681.db2.gz QLSBXOJACVQKSU-FQEVSTJZSA-N 1 0 377.488 3.576 20 30 GHEDRO COc1ccc([C@@H](CO)[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000153081844 873180869 /nfs/dbraw/zinc/18/08/69/873180869.db2.gz VGECLAPAKIIHRR-LJQANCHMSA-N 1 0 379.378 3.611 20 30 GHEDRO C=CCOc1ccc(C[N@@H+](Cc2ccc(C(=O)NC)cc2)C2CC2)cc1OC ZINC000768424245 873295586 /nfs/dbraw/zinc/29/55/86/873295586.db2.gz YUEUNCOOHNNSKO-UHFFFAOYSA-N 1 0 380.488 3.784 20 30 GHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000768499429 873339552 /nfs/dbraw/zinc/33/95/52/873339552.db2.gz AIHOEWYPXBUWEU-PMACEKPBSA-N 1 0 397.592 3.949 20 30 GHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000541330147 873379431 /nfs/dbraw/zinc/37/94/31/873379431.db2.gz NWJFDIIFXNEXRT-KRWDZBQOSA-N 1 0 385.533 3.634 20 30 GHEDRO N#Cc1ccc(CCC(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000152990663 873413097 /nfs/dbraw/zinc/41/30/97/873413097.db2.gz BMAKSAVLNOOJJO-JOCHJYFZSA-N 1 0 399.498 3.773 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1OC ZINC000527760213 873535492 /nfs/dbraw/zinc/53/54/92/873535492.db2.gz SAOBWHHIDDMIEZ-SCLBCKFNSA-N 1 0 382.298 3.680 20 30 GHEDRO COc1cc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC001197032313 873555579 /nfs/dbraw/zinc/55/55/79/873555579.db2.gz PBSVCEPYDKSSCM-FGZHOGPDSA-N 1 0 391.515 3.672 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609130146 873591966 /nfs/dbraw/zinc/59/19/66/873591966.db2.gz IASBYOVORUWEMF-GMAHTHKFSA-N 1 0 394.563 3.642 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cc(Br)ccc3O)CCOCC2)cc1 ZINC000527811371 873597209 /nfs/dbraw/zinc/59/72/09/873597209.db2.gz MMRVAPWYPQOXGJ-UHFFFAOYSA-N 1 0 387.277 3.822 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)cc2)nc1 ZINC000464355394 873700365 /nfs/dbraw/zinc/70/03/65/873700365.db2.gz MIERFUDXQZBJBN-HXUWFJFHSA-N 1 0 390.487 3.740 20 30 GHEDRO CCc1cc(C(=O)N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)ccc1C#N ZINC001197293338 873718219 /nfs/dbraw/zinc/71/82/19/873718219.db2.gz AJGKJGHXFMSBNY-UHFFFAOYSA-N 1 0 381.907 3.950 20 30 GHEDRO COc1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc2c1OCCO2 ZINC000237117601 882754521 /nfs/dbraw/zinc/75/45/21/882754521.db2.gz SMXSKNCBRMJDOY-UHFFFAOYSA-N 1 0 377.362 3.627 20 30 GHEDRO N#Cc1ccc(-c2ccc(C(=O)N(c3ccncn3)[C@H]3CC[C@H]([NH3+])CC3)o2)cc1 ZINC001197402550 873771328 /nfs/dbraw/zinc/77/13/28/873771328.db2.gz CYBDTCSKOLJZSO-IYARVYRRSA-N 1 0 387.443 3.525 20 30 GHEDRO N#Cc1cccc(NC(=S)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001197688597 873982134 /nfs/dbraw/zinc/98/21/34/873982134.db2.gz JSTSXRISIDHGGU-CTNGQTDRSA-N 1 0 376.529 3.851 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@@H]4CCc5cc(F)ccc5C4)C3)CC2=O)c1 ZINC001168438942 874191104 /nfs/dbraw/zinc/19/11/04/874191104.db2.gz PGFSTRVYWJDHJW-QPPBQGQZSA-N 1 0 389.474 3.684 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cc(F)cc(OC)c1 ZINC000769689043 874209966 /nfs/dbraw/zinc/20/99/66/874209966.db2.gz HVHSNJMWUJUFQT-UHFFFAOYSA-N 1 0 378.241 3.899 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CCc3c(C#N)c(N)sc3C2)C1 ZINC001198414506 874399687 /nfs/dbraw/zinc/39/96/87/874399687.db2.gz UPGQMQWWKPBGKV-AWEZNQCLSA-N 1 0 390.553 3.597 20 30 GHEDRO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)c(C)c1 ZINC000528344639 874400036 /nfs/dbraw/zinc/40/00/36/874400036.db2.gz LGXWWHJYAURXFI-OAQYLSRUSA-N 1 0 392.499 3.510 20 30 GHEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(Br)cc1)C2 ZINC001203909041 874447409 /nfs/dbraw/zinc/44/74/09/874447409.db2.gz ILSATUUJTBPGAF-LJQANCHMSA-N 1 0 377.326 3.982 20 30 GHEDRO CC1(C#N)CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000449115682 874498386 /nfs/dbraw/zinc/49/83/86/874498386.db2.gz MSQRNGLNLLKZSU-UHFFFAOYSA-N 1 0 378.314 3.631 20 30 GHEDRO CN(C)c1ccc(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000775883415 874535469 /nfs/dbraw/zinc/53/54/69/874535469.db2.gz WQWDSNLCHWYJBD-UHFFFAOYSA-N 1 0 382.533 3.894 20 30 GHEDRO C[C@@H]1CC[C@](CO)([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc21 ZINC001198694074 874559334 /nfs/dbraw/zinc/55/93/34/874559334.db2.gz AMGIICHCCXYDPO-IVZQSRNASA-N 1 0 397.906 3.915 20 30 GHEDRO CN(C)c1ccc(C2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)cc1 ZINC000775888428 874560403 /nfs/dbraw/zinc/56/04/03/874560403.db2.gz YZJOFAUFLLAMJA-HXUWFJFHSA-N 1 0 394.544 3.671 20 30 GHEDRO Cc1cccc2nc(C3CC[NH+](C[C@@H](O)COc4ccccc4C#N)CC3)oc21 ZINC000528471199 874613991 /nfs/dbraw/zinc/61/39/91/874613991.db2.gz JKWGPQJUDJESPM-LJQANCHMSA-N 1 0 391.471 3.627 20 30 GHEDRO C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000464842468 874617113 /nfs/dbraw/zinc/61/71/13/874617113.db2.gz HOKRQKKQSFCVNG-QGZVFWFLSA-N 1 0 396.922 3.747 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC001198877264 874693191 /nfs/dbraw/zinc/69/31/91/874693191.db2.gz AJKJXOAHNZFNBY-UHFFFAOYSA-N 1 0 387.443 3.710 20 30 GHEDRO Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000476693618 882853735 /nfs/dbraw/zinc/85/37/35/882853735.db2.gz RWTIAOJUYRMYAE-IBGZPJMESA-N 1 0 392.503 3.911 20 30 GHEDRO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](C)(COC)C2)cc1OC ZINC000449395697 874792088 /nfs/dbraw/zinc/79/20/88/874792088.db2.gz QGTXJQWYWSDJGO-GOSISDBHSA-N 1 0 384.314 3.881 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2ccc(Br)cc2OC)CC1 ZINC000542081903 874889621 /nfs/dbraw/zinc/88/96/21/874889621.db2.gz KAYULUFGAMISQV-UHFFFAOYSA-N 1 0 395.341 3.547 20 30 GHEDRO C#CC[NH+]1CCC(c2nc(-c3cc(Br)ccc3OCC)no2)CC1 ZINC000770866195 874897614 /nfs/dbraw/zinc/89/76/14/874897614.db2.gz PZWRICKXMAFNQS-UHFFFAOYSA-N 1 0 390.281 3.710 20 30 GHEDRO COc1cc(CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)ccc1C#N ZINC000460608412 874900796 /nfs/dbraw/zinc/90/07/96/874900796.db2.gz KXXQOCNFDRZSHO-GOSISDBHSA-N 1 0 391.515 3.526 20 30 GHEDRO CCC(CC)[C@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC000761654762 882885963 /nfs/dbraw/zinc/88/59/63/882885963.db2.gz XCAVBWQYTXQLPJ-FCHUYYIVSA-N 1 0 398.551 3.542 20 30 GHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449515623 874983289 /nfs/dbraw/zinc/98/32/89/874983289.db2.gz AJAGMXBUDMBFNW-RCCFBDPRSA-N 1 0 378.582 3.806 20 30 GHEDRO COc1ccc(C[C@H](CO)C[NH2+]CC(C)(C)CCC#N)cc1Br ZINC000449600657 875122841 /nfs/dbraw/zinc/12/28/41/875122841.db2.gz OWRSEDCHKXRVOR-HNNXBMFYSA-N 1 0 383.330 3.528 20 30 GHEDRO Cc1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c(Br)c1 ZINC000271764940 875146215 /nfs/dbraw/zinc/14/62/15/875146215.db2.gz IOFFQPCWIXISGV-UHFFFAOYSA-N 1 0 384.277 3.847 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)cc1OC ZINC000449627631 875149635 /nfs/dbraw/zinc/14/96/35/875149635.db2.gz GRASOOGWZSRKTK-SJCJKPOMSA-N 1 0 384.314 3.926 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc(OC)c1O ZINC000449653841 875184976 /nfs/dbraw/zinc/18/49/76/875184976.db2.gz CULNZVCKYBEMRV-WSTZPKSXSA-N 1 0 385.508 3.613 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1n1cccn1 ZINC000449655245 875189546 /nfs/dbraw/zinc/18/95/46/875189546.db2.gz GXLJQOXLQPXBJM-BDTNDASRSA-N 1 0 393.535 3.510 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)C2CCC2)cc1OCC ZINC000449740858 875325257 /nfs/dbraw/zinc/32/52/57/875325257.db2.gz RJFBKUYXQXXHHG-INIZCTEOSA-N 1 0 384.314 3.663 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000776093298 875330506 /nfs/dbraw/zinc/33/05/06/875330506.db2.gz KZYKZBMSGBPWBN-IBGZPJMESA-N 1 0 377.488 3.827 20 30 GHEDRO CC(C)C[NH+]1CCC(NC(=S)Nc2ccc(C#N)cc2Br)CC1 ZINC001201136335 875520964 /nfs/dbraw/zinc/52/09/64/875520964.db2.gz SFTOWSKPQRQKNU-UHFFFAOYSA-N 1 0 395.370 3.728 20 30 GHEDRO CCCCCCCCCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001201631078 875774515 /nfs/dbraw/zinc/77/45/15/875774515.db2.gz LSZNMHBOGMKBDI-JOCHJYFZSA-N 1 0 379.589 3.720 20 30 GHEDRO COCc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1C#N ZINC000529209584 875831876 /nfs/dbraw/zinc/83/18/76/875831876.db2.gz ABWGHPANKXRORY-MRXNPFEDSA-N 1 0 398.532 3.800 20 30 GHEDRO CCCCCCCCC[N@@H+]1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001201846286 875900887 /nfs/dbraw/zinc/90/08/87/875900887.db2.gz GDGLCHOKNUCUHV-JOCHJYFZSA-N 1 0 379.589 3.576 20 30 GHEDRO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000804523807 882986566 /nfs/dbraw/zinc/98/65/66/882986566.db2.gz BLLNHHIOUBJNOM-KKSFZXQISA-N 1 0 376.504 3.665 20 30 GHEDRO Cn1cc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1C#N ZINC000491997063 876079909 /nfs/dbraw/zinc/07/99/09/876079909.db2.gz HHNNJJFVZXLQFE-REWPJTCUSA-N 1 0 391.446 3.577 20 30 GHEDRO Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2c(C)cccc2C)c1 ZINC000151906865 876088001 /nfs/dbraw/zinc/08/80/01/876088001.db2.gz JNKIZUSACWSTGC-UHFFFAOYSA-O 1 0 379.509 3.684 20 30 GHEDRO CC[C@@H](NC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C)cc1)c1cccs1 ZINC000151936547 876203850 /nfs/dbraw/zinc/20/38/50/876203850.db2.gz NBLGGHSDKWKUEF-MRXNPFEDSA-O 1 0 399.565 3.757 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(Nc3ccc(OC)cc3)n2)CC1 ZINC000173161271 876217779 /nfs/dbraw/zinc/21/77/79/876217779.db2.gz OETKAHBCAYXVHL-UHFFFAOYSA-N 1 0 386.521 3.666 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NCc3ccc(C#N)s3)c2)CC1 ZINC000858313781 883017932 /nfs/dbraw/zinc/01/79/32/883017932.db2.gz JBFFODLFSBQCGT-UHFFFAOYSA-N 1 0 399.520 3.684 20 30 GHEDRO C#CC[C@H](COC)[NH2+]Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000858335758 883034273 /nfs/dbraw/zinc/03/42/73/883034273.db2.gz GIPHKRYUQYQSFX-GFCCVEGCSA-N 1 0 392.240 3.577 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000529803878 876689386 /nfs/dbraw/zinc/68/93/86/876689386.db2.gz LZJQKDCYDVNUFU-IBGZPJMESA-N 1 0 382.895 3.589 20 30 GHEDRO CCOc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000492457982 876897183 /nfs/dbraw/zinc/89/71/83/876897183.db2.gz CHOJQVKITWVFOF-UHFFFAOYSA-N 1 0 380.448 3.577 20 30 GHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000609984635 877249812 /nfs/dbraw/zinc/24/98/12/877249812.db2.gz STWSZDXPELQDED-HXUWFJFHSA-N 1 0 381.451 3.902 20 30 GHEDRO CC[N@H+](CCCC(=O)Nc1cc(C#N)ccc1OC)[C@H](C)Cc1ccc(O)cc1 ZINC001183051134 912221052 /nfs/dbraw/zinc/22/10/52/912221052.db2.gz WBGITEADNKQWGT-QGZVFWFLSA-N 1 0 395.503 3.944 20 30 GHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1(C)C ZINC000610144667 877428415 /nfs/dbraw/zinc/42/84/15/877428415.db2.gz QFIUQDTUEVHFLM-ZWKOTPCHSA-N 1 0 377.916 3.722 20 30 GHEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000615238019 877494245 /nfs/dbraw/zinc/49/42/45/877494245.db2.gz CSHYQFWSSFJUKI-QGZVFWFLSA-N 1 0 399.535 3.582 20 30 GHEDRO COc1ccc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1OCCCC#N ZINC000551600548 877517578 /nfs/dbraw/zinc/51/75/78/877517578.db2.gz PPLSVCNVMXYTSM-QFIPXVFZSA-N 1 0 393.531 3.736 20 30 GHEDRO COc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C#N ZINC000746704286 877546353 /nfs/dbraw/zinc/54/63/53/877546353.db2.gz YAQZNPTWZUATMM-UHFFFAOYSA-N 1 0 392.503 3.552 20 30 GHEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000137544887 877567390 /nfs/dbraw/zinc/56/73/90/877567390.db2.gz HWHRRFFTWJYKDO-JOCHJYFZSA-N 1 0 390.531 3.905 20 30 GHEDRO OC[C@]1(F)CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451253349 877668133 /nfs/dbraw/zinc/66/81/33/877668133.db2.gz AHOXRYYFYBCFNE-WOJBJXKFSA-N 1 0 377.381 3.857 20 30 GHEDRO N#Cc1ncc(Br)cc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000787888667 877689279 /nfs/dbraw/zinc/68/92/79/877689279.db2.gz CKDPVJLNLICYNK-INIZCTEOSA-N 1 0 375.270 3.948 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CCCOc2cccc(C#N)c2)C1 ZINC000787994606 877763708 /nfs/dbraw/zinc/76/37/08/877763708.db2.gz HZNZYGHLJLKUFH-JOCHJYFZSA-N 1 0 385.508 3.803 20 30 GHEDRO N#C[C@H](CC(=O)N1Cc2ccccc2C[C@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC001183132116 912276278 /nfs/dbraw/zinc/27/62/78/912276278.db2.gz IKWRSMZZJHSOHJ-HOTGVXAUSA-N 1 0 388.298 3.903 20 30 GHEDRO CN1c2ccc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)cc2CCC1=O ZINC000285423076 912284353 /nfs/dbraw/zinc/28/43/53/912284353.db2.gz GVAOWWLNQMXCSS-UHFFFAOYSA-N 1 0 393.462 3.650 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)cc1C#N ZINC000152381689 877928096 /nfs/dbraw/zinc/92/80/96/877928096.db2.gz STSJVTNJNJHOAS-QHCPKHFHSA-N 1 0 388.467 3.969 20 30 GHEDRO N#Cc1cc(C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)ccn1 ZINC000615647850 877943431 /nfs/dbraw/zinc/94/34/31/877943431.db2.gz AAJJTWFPWXPTNY-UHFFFAOYSA-N 1 0 386.293 3.897 20 30 GHEDRO C=CCC[C@@H]([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000851904869 877969920 /nfs/dbraw/zinc/96/99/20/877969920.db2.gz DMEDLUYPQSQSFD-UYAOXDASSA-N 1 0 392.421 3.675 20 30 GHEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)c(OC)c1 ZINC000285469624 912302598 /nfs/dbraw/zinc/30/25/98/912302598.db2.gz NOSYTZRFYBFXTD-DYVFJYSZSA-N 1 0 385.464 3.853 20 30 GHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000477739904 878114284 /nfs/dbraw/zinc/11/42/84/878114284.db2.gz GJZJWHJYVJBEGW-XLIONFOSSA-N 1 0 377.479 3.955 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@H](O)c2ccc3ccccc3c2)c(-c2ccncc2)n1 ZINC000788518461 878125149 /nfs/dbraw/zinc/12/51/49/878125149.db2.gz BUQFQSBYXOEZNT-QHCPKHFHSA-N 1 0 397.482 3.835 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 ZINC000179892797 878175928 /nfs/dbraw/zinc/17/59/28/878175928.db2.gz PEMDJAZHJNERQT-VXKWHMMOSA-N 1 0 375.472 3.803 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460563177 878194053 /nfs/dbraw/zinc/19/40/53/878194053.db2.gz CLUXJQYUXWMKIX-SESVDKBCSA-N 1 0 379.552 3.936 20 30 GHEDRO CN(C)[C@@]1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCSC1 ZINC000530644422 878232378 /nfs/dbraw/zinc/23/23/78/878232378.db2.gz WFKSSXJEJQVJPF-JOCHJYFZSA-N 1 0 381.545 3.664 20 30 GHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000110631533 878333660 /nfs/dbraw/zinc/33/36/60/878333660.db2.gz VWLVUBMXNVGIHU-LJQANCHMSA-N 1 0 391.515 3.680 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473127 878352260 /nfs/dbraw/zinc/35/22/60/878352260.db2.gz JIYDIWWJIYTEFC-QZTJIDSGSA-N 1 0 379.426 3.714 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1OC ZINC001183197357 912347939 /nfs/dbraw/zinc/34/79/39/912347939.db2.gz SDGSZKBGFYHHLH-QGZVFWFLSA-N 1 0 379.504 3.765 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c(F)c1 ZINC000852599843 878453743 /nfs/dbraw/zinc/45/37/43/878453743.db2.gz BIYMWDNSOAPBMA-MRXNPFEDSA-N 1 0 397.416 3.710 20 30 GHEDRO COc1cc(CN2CCC([NH+](C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000127974452 878512363 /nfs/dbraw/zinc/51/23/63/878512363.db2.gz YEYRMCLTBRTFPU-UHFFFAOYSA-N 1 0 379.504 3.672 20 30 GHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460788366 878565514 /nfs/dbraw/zinc/56/55/14/878565514.db2.gz HHSLZISSMGNOHD-KRWDZBQOSA-N 1 0 387.503 3.665 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000852760061 878583221 /nfs/dbraw/zinc/58/32/21/878583221.db2.gz VLBBFJXISVHJEN-PTUXOGIPSA-N 1 0 381.520 3.523 20 30 GHEDRO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc2c(c1)CCCO2 ZINC000852780962 878594554 /nfs/dbraw/zinc/59/45/54/878594554.db2.gz MYHGSWXHIIWQAA-DNVCBOLYSA-N 1 0 398.466 3.899 20 30 GHEDRO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)C#CC3CC[NH2+]CC3)cc2)cc1 ZINC000852832357 878626166 /nfs/dbraw/zinc/62/61/66/878626166.db2.gz LAIVFRQNRPMONH-FQEVSTJZSA-N 1 0 390.527 3.624 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c(C#N)c1C ZINC000451902234 878666968 /nfs/dbraw/zinc/66/69/68/878666968.db2.gz NQBFTHYLDSQBJY-MRXNPFEDSA-N 1 0 388.556 3.928 20 30 GHEDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452023392 878819842 /nfs/dbraw/zinc/81/98/42/878819842.db2.gz XKPWWORQEWXODX-KBRIMQKVSA-N 1 0 375.538 3.763 20 30 GHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460945655 878837714 /nfs/dbraw/zinc/83/77/14/878837714.db2.gz WJECJSAEWXLHDD-CUWPLCDZSA-N 1 0 395.551 3.697 20 30 GHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1Oc2ccccc2[C@H]1C ZINC000530972847 878853016 /nfs/dbraw/zinc/85/30/16/878853016.db2.gz VZOVODFYHFWWEN-CWMDILNDSA-N 1 0 395.528 3.978 20 30 GHEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000452034445 878857020 /nfs/dbraw/zinc/85/70/20/878857020.db2.gz KMZLBBAJNGZKKH-LZLYRXPVSA-N 1 0 375.538 3.957 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000538168539 878968920 /nfs/dbraw/zinc/96/89/20/878968920.db2.gz UNUZGPATBVTNOX-KRWDZBQOSA-N 1 0 394.450 3.925 20 30 GHEDRO C=CCn1c(C)cc(C(=O)CN(C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000452124658 878974594 /nfs/dbraw/zinc/97/45/94/878974594.db2.gz XVYWCEOOBSVLOA-UHFFFAOYSA-N 1 0 385.474 3.822 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000538201753 878988813 /nfs/dbraw/zinc/98/88/13/878988813.db2.gz CVUKPKWULAJYHL-KRWDZBQOSA-N 1 0 383.467 3.817 20 30 GHEDRO C#CCCN(CCOC)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000853468146 879041664 /nfs/dbraw/zinc/04/16/64/879041664.db2.gz WWNLXEKTDQKAAB-UHFFFAOYSA-N 1 0 385.552 3.632 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000538267165 879114265 /nfs/dbraw/zinc/11/42/65/879114265.db2.gz CNRNXGBJFQMJGW-KWMCUTETSA-N 1 0 397.544 3.638 20 30 GHEDRO COCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000789695930 879175807 /nfs/dbraw/zinc/17/58/07/879175807.db2.gz IYXTWYVFNAANPB-QGZVFWFLSA-N 1 0 387.524 3.873 20 30 GHEDRO CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531117587 879203943 /nfs/dbraw/zinc/20/39/43/879203943.db2.gz YPKLJVJTFIQUCO-IBGZPJMESA-N 1 0 383.517 3.862 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000531189443 879282594 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C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453456215 880951709 /nfs/dbraw/zinc/95/17/09/880951709.db2.gz YHZIJDXIHCLHSK-KRWDZBQOSA-N 1 0 387.503 3.664 20 30 GHEDRO C=C(C)Cn1c(N2CC[NH+](CC3CCCCC3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453463686 880965165 /nfs/dbraw/zinc/96/51/65/880965165.db2.gz JDPDDVWLNXXGFM-QFIPXVFZSA-N 1 0 387.572 3.582 20 30 GHEDRO C=C(C)Cn1c(N2CCC[N@H+](Cc3ccccc3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453464532 880969567 /nfs/dbraw/zinc/96/95/67/880969567.db2.gz LMYWOMZZHYNCSL-HSZRJFAPSA-N 1 0 395.551 3.592 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000453470854 880981868 /nfs/dbraw/zinc/98/18/68/880981868.db2.gz REVWPLPRDOREQV-VQTJNVASSA-N 1 0 387.572 3.654 20 30 GHEDRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(OCC#N)cc2)cn1 ZINC000792365313 881058348 /nfs/dbraw/zinc/05/83/48/881058348.db2.gz NCOZWSGDLOPAGG-QHCPKHFHSA-N 1 0 390.487 3.541 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000114038528 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380.492 3.987 20 30 GHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000476901563 883376270 /nfs/dbraw/zinc/37/62/70/883376270.db2.gz ILQMKSFISMLAPM-UHFFFAOYSA-N 1 0 376.504 3.889 20 30 GHEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(C(=O)OC)cc1 ZINC000551165549 883405837 /nfs/dbraw/zinc/40/58/37/883405837.db2.gz SFWLNEUORZTPKK-RTWAWAEBSA-N 1 0 391.471 3.581 20 30 GHEDRO C[C@H]1CCC[C@H](CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609680087 883537747 /nfs/dbraw/zinc/53/77/47/883537747.db2.gz QXKFSBZJCXHCMO-VQTJNVASSA-N 1 0 382.552 3.992 20 30 GHEDRO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000859188079 883647715 /nfs/dbraw/zinc/64/77/15/883647715.db2.gz ZYRUNDVYJGCPBL-OAQYLSRUSA-N 1 0 375.516 3.517 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000475776977 883649590 /nfs/dbraw/zinc/64/95/90/883649590.db2.gz UIACTOUUGXIYLH-CQSZACIVSA-N 1 0 391.924 3.619 20 30 GHEDRO 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884652813 /nfs/dbraw/zinc/65/28/13/884652813.db2.gz XWVJAPPDVREOJP-FQEVSTJZSA-N 1 0 382.439 3.665 20 30 GHEDRO O=C(NCCn1ccnc1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000666353201 884827968 /nfs/dbraw/zinc/82/79/68/884827968.db2.gz PJDUXMKQGVVJQO-UHFFFAOYSA-N 1 0 383.267 3.603 20 30 GHEDRO C=CCN1C(=O)N(CC2CC[NH+](CCC(C)C)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000761928140 884990034 /nfs/dbraw/zinc/99/00/34/884990034.db2.gz IIOJCTPHVHHEJW-JOCHJYFZSA-N 1 0 397.563 3.806 20 30 GHEDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000556519320 885191043 /nfs/dbraw/zinc/19/10/43/885191043.db2.gz MNJLKRRBGIXMGH-KBXCAEBGSA-N 1 0 388.414 3.670 20 30 GHEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)ccc21 ZINC000455876898 885236378 /nfs/dbraw/zinc/23/63/78/885236378.db2.gz BPBFRKFOBZNZSU-YADHBBJMSA-N 1 0 390.487 3.713 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001130895312 885336750 /nfs/dbraw/zinc/33/67/50/885336750.db2.gz LZEJOFCUCSHTAL-HXUWFJFHSA-N 1 0 377.488 3.740 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C(=O)OCC34CCC[NH+](CCC3)C4)cc2)nc1 ZINC000861358502 885423787 /nfs/dbraw/zinc/42/37/87/885423787.db2.gz FBFQUQXFQKWITJ-UHFFFAOYSA-N 1 0 377.444 3.778 20 30 GHEDRO C#Cc1cc(NC(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)ccn1 ZINC001183982838 912942145 /nfs/dbraw/zinc/94/21/45/912942145.db2.gz HTTMVRFCLWBYOB-UHFFFAOYSA-N 1 0 383.495 3.906 20 30 GHEDRO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001275282807 912945539 /nfs/dbraw/zinc/94/55/39/912945539.db2.gz VEGCUERJLMEDPV-LJQANCHMSA-N 1 0 381.303 3.911 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(CC)cc3)n2)CC1 ZINC000747404412 885543992 /nfs/dbraw/zinc/54/39/92/885543992.db2.gz JTRWOXOEJUMAIV-UHFFFAOYSA-N 1 0 381.545 3.519 20 30 GHEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000303627449 885653099 /nfs/dbraw/zinc/65/30/99/885653099.db2.gz YBKCQMMGGCTRFS-LJQANCHMSA-N 1 0 380.536 3.997 20 30 GHEDRO CC(C)(C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(C#N)cc1 ZINC000861674124 885752827 /nfs/dbraw/zinc/75/28/27/885752827.db2.gz SRCQSXKKKAURFD-RUZDIDTESA-N 1 0 387.527 3.960 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454028523 885785068 /nfs/dbraw/zinc/78/50/68/885785068.db2.gz YFKYPXAUMUNBSX-UHFFFAOYSA-N 1 0 383.536 3.610 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000807944204 885883784 /nfs/dbraw/zinc/88/37/84/885883784.db2.gz UJOXDGGUNSSMDU-FLIBITNWSA-N 1 0 381.501 3.701 20 30 GHEDRO CON=Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000808058319 885960279 /nfs/dbraw/zinc/96/02/79/885960279.db2.gz MJQLFVLRYVDKJV-GOSISDBHSA-N 1 0 385.533 3.631 20 30 GHEDRO C#CC[N@@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCCCC1 ZINC000747452194 885998375 /nfs/dbraw/zinc/99/83/75/885998375.db2.gz CLZCXGNZSNHDQH-KDURUIRLSA-N 1 0 383.536 3.507 20 30 GHEDRO C=CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccc(OC)cc1 ZINC000117336154 886059644 /nfs/dbraw/zinc/05/96/44/886059644.db2.gz QSBLQQFBMLIAHS-UHFFFAOYSA-N 1 0 397.431 3.590 20 30 GHEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000532566826 886121193 /nfs/dbraw/zinc/12/11/93/886121193.db2.gz GMYDOGRNSPHRHC-UHFFFAOYSA-N 1 0 390.256 3.887 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487950268 886346542 /nfs/dbraw/zinc/34/65/42/886346542.db2.gz GOLFHDOENLIYPL-AWEZNQCLSA-N 1 0 393.329 3.810 20 30 GHEDRO Cc1cccc2ccn(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c21 ZINC001184194537 913040056 /nfs/dbraw/zinc/04/00/56/913040056.db2.gz FDZZQCOMFCGNKW-UHFFFAOYSA-N 1 0 386.499 3.624 20 30 GHEDRO CCn1cc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2ccccc21 ZINC000499047551 886450399 /nfs/dbraw/zinc/45/03/99/886450399.db2.gz HOIRQBNAGGRCNE-UHFFFAOYSA-N 1 0 388.515 3.666 20 30 GHEDRO C[C@H](C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)NC(=O)OC(C)(C)C ZINC000862541631 886452992 /nfs/dbraw/zinc/45/29/92/886452992.db2.gz YCAIXHKXWMJHIC-QGZVFWFLSA-N 1 0 397.523 3.809 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(Br)cc3C)C2)C1=O ZINC001275294723 913049228 /nfs/dbraw/zinc/04/92/28/913049228.db2.gz PQOKYBLZADDAKA-GOSISDBHSA-N 1 0 381.289 3.507 20 30 GHEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000808706278 886685941 /nfs/dbraw/zinc/68/59/41/886685941.db2.gz GLUJCOJIPPTXGN-LJQANCHMSA-N 1 0 379.460 3.580 20 30 GHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)C[C@H](C)O1 ZINC000556923767 886748369 /nfs/dbraw/zinc/74/83/69/886748369.db2.gz PAIWDVKXIKGTQT-HOTGVXAUSA-N 1 0 389.927 3.563 20 30 GHEDRO Cc1cc(NC(=O)c2ccccc2OCC#N)ccc1OCC[NH+]1CCCC1 ZINC000119184547 886762707 /nfs/dbraw/zinc/76/27/07/886762707.db2.gz UCDINVJYVXXGPO-UHFFFAOYSA-N 1 0 379.460 3.624 20 30 GHEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000272299138 887064806 /nfs/dbraw/zinc/06/48/06/887064806.db2.gz QZNZMRRKHVEMCS-FQEVSTJZSA-N 1 0 377.488 3.755 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000863554805 887208612 /nfs/dbraw/zinc/20/86/12/887208612.db2.gz IPGNRZIKSYXCKD-XJKSGUPXSA-N 1 0 393.270 3.718 20 30 GHEDRO CCOc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1O ZINC000459318158 887301843 /nfs/dbraw/zinc/30/18/43/887301843.db2.gz BTQRWRAIQGTXDR-UHFFFAOYSA-N 1 0 379.460 3.513 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000542578614 887440313 /nfs/dbraw/zinc/44/03/13/887440313.db2.gz PNAOHDXTLZDLJZ-GJZGRUSLSA-N 1 0 375.538 3.622 20 30 GHEDRO C[C@H]1C[C@@H](N(C)Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000459340812 887484810 /nfs/dbraw/zinc/48/48/10/887484810.db2.gz JCXWKYBKDLGWKY-PXNSSMCTSA-N 1 0 378.476 3.951 20 30 GHEDRO C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(C[NH+](C)C)c1 ZINC000863984722 887497531 /nfs/dbraw/zinc/49/75/31/887497531.db2.gz IXCKXURCHMBKED-QGZVFWFLSA-N 1 0 378.520 3.754 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(-c2nnc(C)o2)cc1)C(C)C ZINC000747564807 887571623 /nfs/dbraw/zinc/57/16/23/887571623.db2.gz PHVHVSVJXULSNP-LJQANCHMSA-N 1 0 383.496 3.865 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)CC1 ZINC000171739570 887642418 /nfs/dbraw/zinc/64/24/18/887642418.db2.gz ZJEVBGWDDYTISQ-UHFFFAOYSA-N 1 0 392.931 3.594 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536619842 887691036 /nfs/dbraw/zinc/69/10/36/887691036.db2.gz NJBBZTYGYLEQPJ-QHCPKHFHSA-N 1 0 386.499 3.631 20 30 GHEDRO C#C[C@@H]([NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)C(C)C ZINC000809685193 887702650 /nfs/dbraw/zinc/70/26/50/887702650.db2.gz FITHGLOAFDIBGB-GOSISDBHSA-N 1 0 377.326 3.610 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809735656 887716104 /nfs/dbraw/zinc/71/61/04/887716104.db2.gz NLFIVQTWKVWJFT-UGKGYDQZSA-N 1 0 378.520 3.859 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(CC)CC2CCC2)c1=S ZINC000794688564 887828924 /nfs/dbraw/zinc/82/89/24/887828924.db2.gz PKOYISMHWFSSFQ-UHFFFAOYSA-N 1 0 377.602 3.708 20 30 GHEDRO C#CC[C@H](CCOC)NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001131941050 887980894 /nfs/dbraw/zinc/98/08/94/887980894.db2.gz JLAVJDWGDCGHJH-QZTJIDSGSA-N 1 0 384.442 3.633 20 30 GHEDRO Cc1cc(C#N)cnc1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170594627 888072235 /nfs/dbraw/zinc/07/22/35/888072235.db2.gz FHFUXFSJVDHRAG-HSZRJFAPSA-N 1 0 386.499 3.737 20 30 GHEDRO C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C1=CC[N@H+](C)CC1 ZINC000272655838 888331494 /nfs/dbraw/zinc/33/14/94/888331494.db2.gz FWMLKKLCEBYWFN-QGZVFWFLSA-N 1 0 375.472 3.517 20 30 GHEDRO Cn1nc(CCC[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1-c1ccc(F)cc1 ZINC000763239924 888374502 /nfs/dbraw/zinc/37/45/02/888374502.db2.gz KAYKXCLVWFWKLL-QHCPKHFHSA-N 1 0 392.478 3.696 20 30 GHEDRO COc1cc(CCC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000763235871 888378513 /nfs/dbraw/zinc/37/85/13/888378513.db2.gz YRVXXMPINHSVNN-DEOSSOPVSA-N 1 0 394.515 3.954 20 30 GHEDRO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000111899690 888401820 /nfs/dbraw/zinc/40/18/20/888401820.db2.gz OCRSZDAYCWOBCP-HTAPYJJXSA-N 1 0 376.504 3.565 20 30 GHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459379560 888450883 /nfs/dbraw/zinc/45/08/83/888450883.db2.gz YFUMKFDHBCSIQM-UHFFFAOYSA-N 1 0 379.464 3.600 20 30 GHEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000454288935 888462022 /nfs/dbraw/zinc/46/20/22/888462022.db2.gz DVBQKTBNNXLKKP-QGZVFWFLSA-N 1 0 383.521 3.554 20 30 GHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001202519794 888567524 /nfs/dbraw/zinc/56/75/24/888567524.db2.gz KJUFUHZGANBQDU-NWDGAFQWSA-N 1 0 382.302 3.712 20 30 GHEDRO COc1ccccc1Nc1nc(Cl)c(C=NNCC[NH+]2CCCCC2)s1 ZINC000915974209 888591475 /nfs/dbraw/zinc/59/14/75/888591475.db2.gz QEGABTRKKFQBRW-UHFFFAOYSA-N 1 0 393.944 3.958 20 30 GHEDRO Cc1ncc(CO)c(/C=N\Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000915981795 888597404 /nfs/dbraw/zinc/59/74/04/888597404.db2.gz HLZHBDBYDMJWFO-YXMPVBMLSA-N 1 0 381.520 3.685 20 30 GHEDRO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810656053 888719221 /nfs/dbraw/zinc/71/92/21/888719221.db2.gz HJADTHYOYQEANY-GCJKJVERSA-N 1 0 384.882 3.812 20 30 GHEDRO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001132377768 888736207 /nfs/dbraw/zinc/73/62/07/888736207.db2.gz AECVWCMHXBPFSD-JOCHJYFZSA-N 1 0 375.516 3.889 20 30 GHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nc1 ZINC000245514899 888832560 /nfs/dbraw/zinc/83/25/60/888832560.db2.gz GSYXOUQJTKEMFN-IEBWSBKVSA-N 1 0 378.476 3.532 20 30 GHEDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866445356 888882182 /nfs/dbraw/zinc/88/21/82/888882182.db2.gz JHXDWZYTDXFINU-OAHLLOKOSA-N 1 0 397.910 3.582 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000532758735 888895924 /nfs/dbraw/zinc/89/59/24/888895924.db2.gz LCEDMMKXKDVOKB-HOTGVXAUSA-N 1 0 380.448 3.688 20 30 GHEDRO S=C(NN=Cc1c[nH]c2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916307138 888909506 /nfs/dbraw/zinc/90/95/06/888909506.db2.gz SQIJPCGFAVCXKO-UHFFFAOYSA-N 1 0 391.544 3.631 20 30 GHEDRO C[NH+]1CCN(c2ccc(/C=C3\CCc4nn(-c5ccccc5)cc4C3=O)cc2)CC1 ZINC000794951555 889028370 /nfs/dbraw/zinc/02/83/70/889028370.db2.gz FSJOKZWGYQOGES-LVZFUZTISA-N 1 0 398.510 3.837 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000454455403 889064442 /nfs/dbraw/zinc/06/44/42/889064442.db2.gz BYZROUWVMBFSNB-CYBMUJFWSA-N 1 0 398.320 3.989 20 30 GHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763410045 889234329 /nfs/dbraw/zinc/23/43/29/889234329.db2.gz YBMVFTHDUVBCFE-JOCHJYFZSA-N 1 0 379.435 3.950 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868029594 889265715 /nfs/dbraw/zinc/26/57/15/889265715.db2.gz NFYKVWTVYQKUKS-LBPRGKRZSA-N 1 0 389.091 3.561 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000868119625 889304067 /nfs/dbraw/zinc/30/40/67/889304067.db2.gz WQHVHGJVBYBIDB-UHFFFAOYSA-N 1 0 390.487 3.933 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000124087148 889502802 /nfs/dbraw/zinc/50/28/02/889502802.db2.gz KZJQXJPMUOWZPZ-LEWJYISDSA-N 1 0 387.524 3.531 20 30 GHEDRO CC[NH+](CC)[C@H](C/N=C\c1c(O)c(C)ncc1CO)c1ccccc1Cl ZINC000747713412 889560620 /nfs/dbraw/zinc/56/06/20/889560620.db2.gz WFYMITPLPQBVQD-VCYKRWNGSA-N 1 0 375.900 3.743 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000533052874 889630471 /nfs/dbraw/zinc/63/04/71/889630471.db2.gz VGGXLZXVGWDOAS-KSZLIROESA-N 1 0 386.565 3.578 20 30 GHEDRO N#Cc1ccc(CN(C(=O)C2=NOC3(C2)CCCCC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001184697823 913365888 /nfs/dbraw/zinc/36/58/88/913365888.db2.gz PVQCPXXASOQCAW-MXVIHJGJSA-N 1 0 394.519 3.636 20 30 GHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000533089441 889754431 /nfs/dbraw/zinc/75/44/31/889754431.db2.gz KDGLMHQZUODLFT-UXHICEINSA-N 1 0 395.547 3.614 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000125321442 889953320 /nfs/dbraw/zinc/95/33/20/889953320.db2.gz SAMNABOZJFNMAG-UHFFFAOYSA-N 1 0 398.478 3.794 20 30 GHEDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4snc(C)c4C#N)CC3)c2c1 ZINC000811785742 889998392 /nfs/dbraw/zinc/99/83/92/889998392.db2.gz HGGNCHXBPQHWOF-UHFFFAOYSA-N 1 0 394.500 3.513 20 30 GHEDRO C[C@@H](CCSc1ccccc1)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000122947770 890214492 /nfs/dbraw/zinc/21/44/92/890214492.db2.gz MWUOUKMVEYXKGV-KRWDZBQOSA-N 1 0 399.560 3.856 20 30 GHEDRO COc1ccc(CC(N)=NO[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000122978524 890243217 /nfs/dbraw/zinc/24/32/17/890243217.db2.gz BFSUEBLWLJSFHE-OAHLLOKOSA-N 1 0 380.448 3.955 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C#N)CCc1ccccc1)Cc1ccccc12 ZINC000870184910 890250820 /nfs/dbraw/zinc/25/08/20/890250820.db2.gz HEGZJRRPQPWCPS-OAQYLSRUSA-N 1 0 387.527 3.765 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C#N)CCc1ccccc1)Cc1ccccc12 ZINC000870184906 890250988 /nfs/dbraw/zinc/25/09/88/890250988.db2.gz HEGZJRRPQPWCPS-NRFANRHFSA-N 1 0 387.527 3.765 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000795101591 890255871 /nfs/dbraw/zinc/25/58/71/890255871.db2.gz QDPMVVXAERIJDR-UYAOXDASSA-N 1 0 385.508 3.658 20 30 GHEDRO C=CCOc1cccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)c1 ZINC000916835813 890271808 /nfs/dbraw/zinc/27/18/08/890271808.db2.gz ABARWAQVILCAMT-UHFFFAOYSA-N 1 0 375.266 3.742 20 30 GHEDRO CSCC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nnc2ccccn21 ZINC000123232714 890445110 /nfs/dbraw/zinc/44/51/10/890445110.db2.gz XSCUPDUVYKGXOI-IBGZPJMESA-N 1 0 394.548 3.663 20 30 GHEDRO C#CCN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CCCc2ccccc21 ZINC000923623066 890509245 /nfs/dbraw/zinc/50/92/45/890509245.db2.gz CJRQJUKFESIWRN-JOCHJYFZSA-N 1 0 391.519 3.695 20 30 GHEDRO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCCN(c2ccccc2C#N)CC1 ZINC000533422396 890522569 /nfs/dbraw/zinc/52/25/69/890522569.db2.gz JSORDRADGOMDLE-MRXNPFEDSA-N 1 0 382.895 3.751 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000126610327 890613890 /nfs/dbraw/zinc/61/38/90/890613890.db2.gz ALBFPNXYLVUVDH-NRFANRHFSA-N 1 0 392.503 3.561 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000287703049 913495549 /nfs/dbraw/zinc/49/55/49/913495549.db2.gz MQXPUPBKIRJYGC-KRWDZBQOSA-N 1 0 380.492 3.885 20 30 GHEDRO N#CCc1ccnc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000871734501 890995931 /nfs/dbraw/zinc/99/59/31/890995931.db2.gz HAJALOCIJDKBIF-FQEVSTJZSA-N 1 0 389.503 3.571 20 30 GHEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834317 891018951 /nfs/dbraw/zinc/01/89/51/891018951.db2.gz PEXJIGQVODIDPD-MRXNPFEDSA-N 1 0 395.450 3.895 20 30 GHEDRO C#C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000812880949 891061405 /nfs/dbraw/zinc/06/14/05/891061405.db2.gz HVJOWKHSCDAZOI-HXUWFJFHSA-N 1 0 385.508 3.773 20 30 GHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCSCc1ccccc1C#N ZINC000053982388 891175507 /nfs/dbraw/zinc/17/55/07/891175507.db2.gz USZHOJOGNRFZPU-UHFFFAOYSA-N 1 0 396.560 3.565 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000872222407 891212874 /nfs/dbraw/zinc/21/28/74/891212874.db2.gz UKBSQMNXGJJKLO-UHFFFAOYSA-N 1 0 380.467 3.593 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cc3cnccc3o2)c(OC)c1 ZINC000872239841 891215611 /nfs/dbraw/zinc/21/56/11/891215611.db2.gz LLRQPFIDWFFGEI-CRAIPNDOSA-N 1 0 382.460 3.655 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813031291 891230393 /nfs/dbraw/zinc/23/03/93/891230393.db2.gz XMYVIPCVLAHPDF-RTWAWAEBSA-N 1 0 395.478 3.645 20 30 GHEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168268663 891241783 /nfs/dbraw/zinc/24/17/83/891241783.db2.gz QSGBTUWPTMUIEV-HXUWFJFHSA-N 1 0 393.531 3.530 20 30 GHEDRO C=CCn1c(-c2cccs2)nn(CN2CC[N@@H+](C)C(C)(C)CC2)c1=S ZINC000872696233 891304822 /nfs/dbraw/zinc/30/48/22/891304822.db2.gz OLPVBNSNHZWSRM-UHFFFAOYSA-N 1 0 377.583 3.702 20 30 GHEDRO C[NH+]1CCC(C#N)(NC(=O)CCN2c3ccccc3Sc3ccccc32)CC1 ZINC000917126433 891344427 /nfs/dbraw/zinc/34/44/27/891344427.db2.gz ZGEGVDWVJZJQGK-UHFFFAOYSA-N 1 0 392.528 3.784 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170698674 891351268 /nfs/dbraw/zinc/35/12/68/891351268.db2.gz SICUNGOHEKHKEP-YUXAGFNASA-N 1 0 377.475 3.896 20 30 GHEDRO C[NH+](C)Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1C(F)(F)F ZINC001133672953 891403266 /nfs/dbraw/zinc/40/32/66/891403266.db2.gz UOSJUNBAHRCXMG-UHFFFAOYSA-N 1 0 377.366 3.656 20 30 GHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000497431052 891563721 /nfs/dbraw/zinc/56/37/21/891563721.db2.gz DCFPVTGXYGLRKW-QGZVFWFLSA-N 1 0 376.504 3.976 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCO[C@H]2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873698819 891761268 /nfs/dbraw/zinc/76/12/68/891761268.db2.gz SUBKOBXEGYSUAM-OALUTQOASA-N 1 0 387.572 3.591 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC001133898846 891939642 /nfs/dbraw/zinc/93/96/42/891939642.db2.gz MOUZHFPDFCJLCC-SDNWHVSQSA-N 1 0 391.515 3.649 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497592841 891948797 /nfs/dbraw/zinc/94/87/97/891948797.db2.gz TURXCMSUUQCEFR-WBVHZDCISA-N 1 0 396.457 3.937 20 30 GHEDRO C=CCc1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cc(OC)c1O ZINC000813788436 891975843 /nfs/dbraw/zinc/97/58/43/891975843.db2.gz LATNDJBJXWWQFB-IRXDYDNUSA-N 1 0 394.487 3.566 20 30 GHEDRO CC[N@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497600386 891980837 /nfs/dbraw/zinc/98/08/37/891980837.db2.gz ZFZGVZVZSHKULT-HOTGVXAUSA-N 1 0 385.458 3.967 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(C)nc2N2CCCC2)cc1OCCCC#N ZINC000611585211 892265477 /nfs/dbraw/zinc/26/54/77/892265477.db2.gz SBHJBHPGKWRMCE-UHFFFAOYSA-N 1 0 394.519 3.971 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(NC(C)=O)cc2)C(=S)N[C@H](C)CC)cc1 ZINC000154494839 892419075 /nfs/dbraw/zinc/41/90/75/892419075.db2.gz SIWCCMDAPSMNJI-OAHLLOKOSA-O 1 0 398.552 3.822 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(NC(C)=O)cc2)C(=S)N[C@@H](C)CC)cc1 ZINC000154494740 892419522 /nfs/dbraw/zinc/41/95/22/892419522.db2.gz SIWCCMDAPSMNJI-HNNXBMFYSA-O 1 0 398.552 3.822 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000497814948 892457353 /nfs/dbraw/zinc/45/73/53/892457353.db2.gz JOCHXGLELIEQQH-OAQYLSRUSA-N 1 0 381.545 3.773 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)N[C@@H](C)CC)cc1 ZINC000154527655 892573371 /nfs/dbraw/zinc/57/33/71/892573371.db2.gz HLOOSDODLJOCEC-AWEZNQCLSA-O 1 0 386.497 3.772 20 30 GHEDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000609268859 892812723 /nfs/dbraw/zinc/81/27/23/892812723.db2.gz GUICFVYORAIWMN-SFHVURJKSA-N 1 0 395.528 3.550 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c1C#N ZINC000533758902 892837345 /nfs/dbraw/zinc/83/73/45/892837345.db2.gz MHFDVTMZDMODEF-JOCHJYFZSA-N 1 0 378.472 3.607 20 30 GHEDRO N#Cc1ccnc(C[N@H+]2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)c1 ZINC001170757899 893043317 /nfs/dbraw/zinc/04/33/17/893043317.db2.gz WNCSBBBHLZMQPQ-VQIMIIECSA-N 1 0 386.293 3.661 20 30 GHEDRO N#CC1(CCC[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)CCOCC1 ZINC000933632373 893112167 /nfs/dbraw/zinc/11/21/67/893112167.db2.gz GESMEZCEUHZKCZ-IBGZPJMESA-N 1 0 389.927 3.635 20 30 GHEDRO CC(C)(C)OC(=O)NCCCCCCC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933646083 893113537 /nfs/dbraw/zinc/11/35/37/893113537.db2.gz CNOBNVCRVYNLNY-UHFFFAOYSA-N 1 0 380.529 3.799 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2n1 ZINC000933686239 893131633 /nfs/dbraw/zinc/13/16/33/893131633.db2.gz WEUNIXOTVOTIJY-DYESRHJHSA-N 1 0 379.508 3.703 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2n1 ZINC000933686240 893131741 /nfs/dbraw/zinc/13/17/41/893131741.db2.gz WEUNIXOTVOTIJY-LAUBAEHRSA-N 1 0 379.508 3.703 20 30 GHEDRO N#Cc1ncc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000455749598 893200295 /nfs/dbraw/zinc/20/02/95/893200295.db2.gz GCXPKMUCSZQUNF-HNNXBMFYSA-N 1 0 375.885 3.627 20 30 GHEDRO CC(N=Nc1nc(-c2ccccn2)nc2c1CCC2)c1cccc(C[NH+](C)C)c1 ZINC000814858179 893239808 /nfs/dbraw/zinc/23/98/08/893239808.db2.gz NWFKGSYAQVPNHA-UHFFFAOYSA-N 1 0 386.503 3.925 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C2)CC1 ZINC000455775523 893294794 /nfs/dbraw/zinc/29/47/94/893294794.db2.gz DRJIZBWWLIYQPY-OAHLLOKOSA-N 1 0 375.904 3.582 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000498116263 893314977 /nfs/dbraw/zinc/31/49/77/893314977.db2.gz XZPCAAOIRMCQRX-JOCHJYFZSA-N 1 0 397.519 3.865 20 30 GHEDRO CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876771090 893323402 /nfs/dbraw/zinc/32/34/02/893323402.db2.gz VLDHVUFLYOCKEZ-YCRPNKLZSA-N 1 0 387.487 3.553 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876899888 893377894 /nfs/dbraw/zinc/37/78/94/893377894.db2.gz SPLWDHAKHYBTMG-UHFFFAOYSA-N 1 0 381.545 3.542 20 30 GHEDRO N#Cc1cnc(Cl)c(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000876948057 893399455 /nfs/dbraw/zinc/39/94/55/893399455.db2.gz DLPGMLLHNIBPTO-UHFFFAOYSA-N 1 0 376.838 3.639 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+]2Cc2ccc(OCC#N)cc2)CC1 ZINC001137115331 893463214 /nfs/dbraw/zinc/46/32/14/893463214.db2.gz IXNUYIASRVMYFB-UHFFFAOYSA-N 1 0 385.508 3.954 20 30 GHEDRO N#Cc1cc(C(=O)NCCCCCCC[NH+]2CCCC2)cnc1C(F)(F)F ZINC000815102574 893475915 /nfs/dbraw/zinc/47/59/15/893475915.db2.gz QEXWOBPNKMVUMK-UHFFFAOYSA-N 1 0 382.430 3.748 20 30 GHEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000877118782 893494284 /nfs/dbraw/zinc/49/42/84/893494284.db2.gz MTWZHQASDYQVDA-IDEGHQESSA-N 1 0 379.441 3.956 20 30 GHEDRO OC1CCN(c2ccc(C[NH2+]CC#Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000877158721 893512088 /nfs/dbraw/zinc/51/20/88/893512088.db2.gz MBOOMOQOUYSMPV-UHFFFAOYSA-N 1 0 388.433 3.808 20 30 GHEDRO N#CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)cc1 ZINC001137116649 893519104 /nfs/dbraw/zinc/51/91/04/893519104.db2.gz MGAAUNTVOXFNHL-QFIPXVFZSA-N 1 0 395.528 3.779 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC(C)(C)CCCO ZINC000925301415 893542457 /nfs/dbraw/zinc/54/24/57/893542457.db2.gz WAJBUZDDFPQWKE-KRWDZBQOSA-N 1 0 381.561 3.694 20 30 GHEDRO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119615 893573917 /nfs/dbraw/zinc/57/39/17/893573917.db2.gz ZOPDFVOMNOHBGW-FGCOXFRFSA-N 1 0 390.531 3.716 20 30 GHEDRO CC1CC[NH+]([C@H](CNC(=O)COc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000918393014 893628288 /nfs/dbraw/zinc/62/82/88/893628288.db2.gz VLJFTRTXUCNFQZ-JOCHJYFZSA-N 1 0 377.488 3.526 20 30 GHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670195634 893631522 /nfs/dbraw/zinc/63/15/22/893631522.db2.gz UFPQTVUPOQFHOG-PZJWPPBQSA-N 1 0 393.535 3.595 20 30 GHEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC000877614448 893719673 /nfs/dbraw/zinc/71/96/73/893719673.db2.gz DHJJSYHCQYQLDL-NCXUSEDFSA-N 1 0 379.545 3.853 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877612471 893720040 /nfs/dbraw/zinc/72/00/40/893720040.db2.gz QJAFMHBFWFDYJW-IXDOHACOSA-N 1 0 377.529 3.511 20 30 GHEDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1)C1(C#N)CCCCC1 ZINC000459528729 893735075 /nfs/dbraw/zinc/73/50/75/893735075.db2.gz LIENYEAJKJVYAG-NRFANRHFSA-N 1 0 383.536 3.555 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000154732820 893770893 /nfs/dbraw/zinc/77/08/93/893770893.db2.gz FKGXKKJGUOOFMF-KRWDZBQOSA-N 1 0 395.478 3.645 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000877731564 893779815 /nfs/dbraw/zinc/77/98/15/893779815.db2.gz RRUMEJMMLZUWEZ-OKYOBFRVSA-N 1 0 391.556 3.853 20 30 GHEDRO COc1cc(C[N@@H+](C)C2CCN(OC)CC2)ccc1OCc1cccc(C#N)c1 ZINC000459582232 893813141 /nfs/dbraw/zinc/81/31/41/893813141.db2.gz QDWYSGIIDCPRPC-UHFFFAOYSA-N 1 0 395.503 3.603 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)ccc1OC(F)(F)F ZINC000563493475 893822119 /nfs/dbraw/zinc/82/21/19/893822119.db2.gz RMLGKVXDPWBQAE-BBRMVZONSA-N 1 0 396.413 3.843 20 30 GHEDRO C=CCCc1ccc(C(=O)Nc2sc(N)c3c2C[N@H+](CCC)CC3)c(=O)[nH]1 ZINC001185352073 913808067 /nfs/dbraw/zinc/80/80/67/913808067.db2.gz BHXJQZCULIYXPC-UHFFFAOYSA-N 1 0 386.521 3.570 20 30 GHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000563527312 893869295 /nfs/dbraw/zinc/86/92/95/893869295.db2.gz QXDJHAJRQJBLPR-SFHVURJKSA-N 1 0 394.523 3.599 20 30 GHEDRO COc1ccc(OC2CC[NH+](CC[C@](C#N)(C(C)=O)c3ccccc3)CC2)cc1 ZINC000877972292 893920529 /nfs/dbraw/zinc/92/05/29/893920529.db2.gz YYHLWOKKFAMAHP-DEOSSOPVSA-N 1 0 392.499 3.979 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)CCCc2cccnc2)c1C ZINC000459635105 893943721 /nfs/dbraw/zinc/94/37/21/893943721.db2.gz GGDZFEZMGLPDHM-LJQANCHMSA-N 1 0 378.520 3.946 20 30 GHEDRO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000878047394 893979103 /nfs/dbraw/zinc/97/91/03/893979103.db2.gz FEQFMWAHMIPMGV-DEOSSOPVSA-N 1 0 391.515 3.651 20 30 GHEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1I ZINC000536874480 893986421 /nfs/dbraw/zinc/98/64/21/893986421.db2.gz DJFIARMYQZYMEG-ZDUSSCGKSA-N 1 0 392.240 3.892 20 30 GHEDRO C=C(C)c1cccc(NC(=O)N(CCCN2CCOCC2)Cc2ccncc2)c1 ZINC000934880500 894003036 /nfs/dbraw/zinc/00/30/36/894003036.db2.gz WMJYNGOIPNYVPW-UHFFFAOYSA-N 1 0 394.519 3.871 20 30 GHEDRO N#CC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000934892097 894012154 /nfs/dbraw/zinc/01/21/54/894012154.db2.gz WURUNSRRIIHGOZ-UXHICEINSA-N 1 0 383.561 3.536 20 30 GHEDRO CON=Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000918577030 894028487 /nfs/dbraw/zinc/02/84/87/894028487.db2.gz UKJFZFXRRFJEAI-GOSISDBHSA-N 1 0 379.504 3.971 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)C[C@@H](C)O1 ZINC000563657503 894034731 /nfs/dbraw/zinc/03/47/31/894034731.db2.gz RSISQRYMIWHALH-SEPYTNNBSA-N 1 0 389.499 3.585 20 30 GHEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)C[C@H](C)O1 ZINC000563657502 894035050 /nfs/dbraw/zinc/03/50/50/894035050.db2.gz RSISQRYMIWHALH-SAHWJRBASA-N 1 0 389.499 3.585 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000459716664 894097122 /nfs/dbraw/zinc/09/71/22/894097122.db2.gz QFOJEZQLSWQEJD-AWEZNQCLSA-N 1 0 396.329 3.819 20 30 GHEDRO C[C@@H](C#N)CN(Cc1cc(C#N)cc(CN(C[C@@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298999 894175946 /nfs/dbraw/zinc/17/59/46/894175946.db2.gz MHLKSGPTSMLNQM-ROUUACIJSA-N 1 0 375.520 3.806 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000459767085 894189050 /nfs/dbraw/zinc/18/90/50/894189050.db2.gz FECKZBIQLCSZIG-SLYNCCJLSA-N 1 0 394.494 3.881 20 30 GHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000536978857 894189316 /nfs/dbraw/zinc/18/93/16/894189316.db2.gz HRWCUPSLFQNZKT-UHFFFAOYSA-N 1 0 376.504 3.900 20 30 GHEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000878370794 894236673 /nfs/dbraw/zinc/23/66/73/894236673.db2.gz BKOSBUYMDXBJMS-LJQANCHMSA-N 1 0 378.476 3.547 20 30 GHEDRO CC(C)c1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccccc2)cc1 ZINC000022691834 894282547 /nfs/dbraw/zinc/28/25/47/894282547.db2.gz ZFRHILHRFCSLRK-IBGZPJMESA-O 1 0 383.537 3.805 20 30 GHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2cccc(C)c2)c1 ZINC000022691560 894282780 /nfs/dbraw/zinc/28/27/80/894282780.db2.gz LOMWCQBYCYUAFZ-SFHVURJKSA-O 1 0 383.537 3.607 20 30 GHEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NCc1ccccc1)[n+]1ccccc1 ZINC000022730686 894334631 /nfs/dbraw/zinc/33/46/31/894334631.db2.gz MRAHXTKRKCPHBZ-UHFFFAOYSA-O 1 0 383.443 3.981 20 30 GHEDRO CC(=O)[C@@](C#N)(CCN1CCC[C@H](Oc2ncccc2F)C1)c1ccccc1 ZINC000878525185 894359349 /nfs/dbraw/zinc/35/93/49/894359349.db2.gz YFYOZNUUHLLHQL-UGKGYDQZSA-N 1 0 381.451 3.505 20 30 GHEDRO CCC[C@@H]1CN(CC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000537219616 894584761 /nfs/dbraw/zinc/58/47/61/894584761.db2.gz KTTCIJGUQXIWOY-LJQANCHMSA-N 1 0 382.533 3.545 20 30 GHEDRO C=CCn1c(CCCc2cccs2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000564380449 894916767 /nfs/dbraw/zinc/91/67/67/894916767.db2.gz RJGVYPRYCJEHHF-HKUYNNGSSA-N 1 0 387.597 3.867 20 30 GHEDRO COc1cc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)ccc1C#N ZINC000816636028 894982631 /nfs/dbraw/zinc/98/26/31/894982631.db2.gz CKXPHLWFSPYZMN-KDURUIRLSA-N 1 0 385.508 3.646 20 30 GHEDRO CC[C@H](NC(=S)Nc1ccccc1C#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000760296678 895031847 /nfs/dbraw/zinc/03/18/47/895031847.db2.gz KPKWFQDUGLHLHJ-PZJWPPBQSA-N 1 0 394.544 3.524 20 30 GHEDRO CCc1ccc([C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[NH+](C)C)cc1 ZINC001135715657 895151643 /nfs/dbraw/zinc/15/16/43/895151643.db2.gz YIJGHSWXGUKSKQ-FYYLOGMGSA-N 1 0 393.531 3.943 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCOc3c(C)cccc32)c(OC)c1 ZINC000564864106 895287759 /nfs/dbraw/zinc/28/77/59/895287759.db2.gz OMJJNTQODPHGMQ-AZUAARDMSA-N 1 0 383.488 3.585 20 30 GHEDRO C[NH+](C)C1CCC(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000817159430 895357887 /nfs/dbraw/zinc/35/78/87/895357887.db2.gz LKDAOQOILSDXHQ-UHFFFAOYSA-N 1 0 382.533 3.959 20 30 GHEDRO Cc1cc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)c(C)[nH]1 ZINC000023604808 895395620 /nfs/dbraw/zinc/39/56/20/895395620.db2.gz DOULVQGMDRPIOT-UHFFFAOYSA-O 1 0 378.521 3.690 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H]1C(F)(F)F ZINC000880024444 895458412 /nfs/dbraw/zinc/45/84/12/895458412.db2.gz JIFRRLXSZKDEDP-ZIAGYGMSSA-N 1 0 377.451 3.951 20 30 GHEDRO C[C@@H]1C[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294892 895468639 /nfs/dbraw/zinc/46/86/39/895468639.db2.gz ZECVIENDEIGERD-QYZOEREBSA-N 1 0 393.572 3.958 20 30 GHEDRO C#CCC1(O)CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000880481510 895725455 /nfs/dbraw/zinc/72/54/55/895725455.db2.gz KATYKFPCMIZPGP-UHFFFAOYSA-N 1 0 378.472 3.658 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000565675429 895800861 /nfs/dbraw/zinc/80/08/61/895800861.db2.gz RPKPLMYUTAYQHH-UHFFFAOYSA-N 1 0 381.451 3.951 20 30 GHEDRO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000565779159 895871123 /nfs/dbraw/zinc/87/11/23/895871123.db2.gz SJYNIHMXHUPWQE-AOMKIAJQSA-N 1 0 393.491 3.907 20 30 GHEDRO C=CCc1cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(OC)c1O ZINC000565800013 895888545 /nfs/dbraw/zinc/88/85/45/895888545.db2.gz DSKAZGIHFSSAMK-UHFFFAOYSA-N 1 0 379.504 3.565 20 30 GHEDRO C=CCCCCC[N@H+]1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC001170881992 895942692 /nfs/dbraw/zinc/94/26/92/895942692.db2.gz OQSMKXCSSGEQMX-GOSISDBHSA-N 1 0 377.533 3.686 20 30 GHEDRO N#CCCC[C@H]([NH3+])C(=O)NCCCN1c2ccccc2Sc2ccccc21 ZINC000818073606 896015785 /nfs/dbraw/zinc/01/57/85/896015785.db2.gz JCFMKLHNFFGZEC-INIZCTEOSA-N 1 0 380.517 3.817 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)s2)CC1 ZINC000566003321 896041556 /nfs/dbraw/zinc/04/15/56/896041556.db2.gz CTLOBIJBFYTMGE-UHFFFAOYSA-N 1 0 382.533 3.851 20 30 GHEDRO COC(OC)c1ccc(F)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000818201630 896076419 /nfs/dbraw/zinc/07/64/19/896076419.db2.gz GOWIQHMVBCCPFX-UHFFFAOYSA-N 1 0 399.466 3.864 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000818346996 896107661 /nfs/dbraw/zinc/10/76/61/896107661.db2.gz MEMVMPIIFVVTJE-ALKREAHSSA-N 1 0 375.513 3.656 20 30 GHEDRO N#CCc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000881152403 896201967 /nfs/dbraw/zinc/20/19/67/896201967.db2.gz HNCXVLQAIRJLRP-HSZRJFAPSA-N 1 0 389.503 3.668 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000818612046 896216387 /nfs/dbraw/zinc/21/63/87/896216387.db2.gz MFIGRUGMBCXLBA-UHFFFAOYSA-N 1 0 391.490 3.978 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000819069970 896385574 /nfs/dbraw/zinc/38/55/74/896385574.db2.gz ZATZANGCUPPCIW-FQEVSTJZSA-N 1 0 380.492 3.552 20 30 GHEDRO CN(c1nccc(Oc2cccc(C#N)c2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001185756354 914064517 /nfs/dbraw/zinc/06/45/17/914064517.db2.gz NLQRYIBYOSRVHF-FQEVSTJZSA-N 1 0 385.471 3.851 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000819205488 896432158 /nfs/dbraw/zinc/43/21/58/896432158.db2.gz MNGQEPKALDSHFZ-QHCPKHFHSA-N 1 0 395.503 3.591 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819316351 896608538 /nfs/dbraw/zinc/60/85/38/896608538.db2.gz GWYINOZPLSIADB-BJLQDIEVSA-N 1 0 387.524 3.512 20 30 GHEDRO N#Cc1csc(CN(Cc2cccc(Br)c2)C2CCOCC2)n1 ZINC000566946704 896727080 /nfs/dbraw/zinc/72/70/80/896727080.db2.gz QSUVYNCGIXCKGG-UHFFFAOYSA-N 1 0 392.322 3.958 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000778585710 897136052 /nfs/dbraw/zinc/13/60/52/897136052.db2.gz WGLSDVGAPUZECF-DOTOQJQBSA-N 1 0 390.524 3.864 20 30 GHEDRO COC(=O)c1ccc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c(C#N)n1 ZINC000567486977 897196687 /nfs/dbraw/zinc/19/66/87/897196687.db2.gz ZQPKSEPEMOFVMB-GOSISDBHSA-N 1 0 384.505 3.686 20 30 GHEDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cn1c(C)nnc1-c1cccc(C#N)c1)CCC2 ZINC000131159715 897340360 /nfs/dbraw/zinc/34/03/60/897340360.db2.gz QMGIHMWHNOGKCI-GOSISDBHSA-N 1 0 378.505 3.857 20 30 GHEDRO C#C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(Cl)cc1F ZINC000820744150 897531324 /nfs/dbraw/zinc/53/13/24/897531324.db2.gz DHAAGYADMGPJBH-GOSISDBHSA-N 1 0 377.847 3.520 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000568040118 897552158 /nfs/dbraw/zinc/55/21/58/897552158.db2.gz AQMZKBDCYGXERE-MBSDFSHPSA-N 1 0 388.515 3.993 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000132076255 897655849 /nfs/dbraw/zinc/65/58/49/897655849.db2.gz RJAPYCMERAKKQU-HNNXBMFYSA-N 1 0 394.924 3.577 20 30 GHEDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000883589114 897738484 /nfs/dbraw/zinc/73/84/84/897738484.db2.gz YFUJHFALVFSOTH-JLLWLGSASA-N 1 0 387.299 3.860 20 30 GHEDRO N#CCCCN1CC[C@]2(CCC[N@H+]2CCc2ccc(Cl)cc2Cl)C1=O ZINC001276325128 914187195 /nfs/dbraw/zinc/18/71/95/914187195.db2.gz WXPRNGREKBCFPI-LJQANCHMSA-N 1 0 380.319 3.907 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](c1ccc(OC)nc1)C1CC1 ZINC000626180502 897871677 /nfs/dbraw/zinc/87/16/77/897871677.db2.gz SGOOAWWMPODEAA-YWZLYKJASA-N 1 0 385.533 3.796 20 30 GHEDRO C[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000568518411 897905190 /nfs/dbraw/zinc/90/51/90/897905190.db2.gz BYAAKFILSGHLCK-UWJYYQICSA-N 1 0 378.476 3.951 20 30 GHEDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587099 897959969 /nfs/dbraw/zinc/95/99/69/897959969.db2.gz MHDAUTVNTWTLNG-HUUCEWRRSA-N 1 0 375.538 3.717 20 30 GHEDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000103469552 898095216 /nfs/dbraw/zinc/09/52/16/898095216.db2.gz XQZBHZOYHIQBLW-UHFFFAOYSA-N 1 0 391.515 3.590 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)cc1 ZINC001136538424 898219490 /nfs/dbraw/zinc/21/94/90/898219490.db2.gz WZELNHSWJUQPRC-MRXNPFEDSA-N 1 0 383.423 3.732 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000106335411 898266067 /nfs/dbraw/zinc/26/60/67/898266067.db2.gz JMVVAUYBGCRPRI-UHFFFAOYSA-N 1 0 398.482 3.853 20 30 GHEDRO CC(C)(C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)C1CCOCC1 ZINC001186004378 914244890 /nfs/dbraw/zinc/24/48/90/914244890.db2.gz KABUETMIIDRTKF-MEMLXQNLSA-N 1 0 383.536 3.610 20 30 GHEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000884046091 898629740 /nfs/dbraw/zinc/62/97/40/898629740.db2.gz RRXODUWSZAQTSL-RHJSQNMRSA-N 1 0 391.315 3.802 20 30 GHEDRO C=CCNC(=O)c1cccc(-c2noc(CC[C@H]([NH3+])CC3CCCCC3)n2)c1 ZINC000822771257 898640192 /nfs/dbraw/zinc/64/01/92/898640192.db2.gz SKZATJDSXSCJMD-IBGZPJMESA-N 1 0 382.508 3.883 20 30 GHEDRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884049433 898653373 /nfs/dbraw/zinc/65/33/73/898653373.db2.gz QUQMYBAUYFTXPE-FHBSJOOWSA-N 1 0 381.398 3.572 20 30 GHEDRO CC[C@@H]1CN(c2cc(C#N)c(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001186070658 914273282 /nfs/dbraw/zinc/27/32/82/914273282.db2.gz SKIFUNXRYBPHFA-QGZVFWFLSA-N 1 0 385.309 3.817 20 30 GHEDRO C=CCC1(O)CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000884058177 898711326 /nfs/dbraw/zinc/71/13/26/898711326.db2.gz CWZIHZGEPMCWIN-IBGZPJMESA-N 1 0 385.552 3.674 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(O)cc(Br)c1)C(C)C ZINC001136649916 898755822 /nfs/dbraw/zinc/75/58/22/898755822.db2.gz JGPYIFWUBHEYKM-QGZVFWFLSA-N 1 0 381.314 3.583 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cc(Cl)cc2c1OCC2)C(C)C ZINC001136650194 898757469 /nfs/dbraw/zinc/75/74/69/898757469.db2.gz SFJCESNGNIHHDF-IBGZPJMESA-N 1 0 376.928 3.632 20 30 GHEDRO Cc1csc(Sc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)n1 ZINC000884087680 898833520 /nfs/dbraw/zinc/83/35/20/898833520.db2.gz KSEGAMJNQWJCGU-SHYRYGCCSA-N 1 0 384.530 3.681 20 30 GHEDRO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC1 ZINC000884095727 898856330 /nfs/dbraw/zinc/85/63/30/898856330.db2.gz XKMFXXIROOLBTR-VFFUGERLSA-N 1 0 391.437 3.897 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)cc1 ZINC000113341919 898987006 /nfs/dbraw/zinc/98/70/06/898987006.db2.gz AYOOKGKBSSSDSY-UHFFFAOYSA-N 1 0 381.520 3.695 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2nnc(C)s2)cc1OC ZINC000289702998 914304791 /nfs/dbraw/zinc/30/47/91/914304791.db2.gz DOEKNRTZIYRWFH-UHFFFAOYSA-N 1 0 398.326 3.515 20 30 GHEDRO C=CCOc1cccnc1-c1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1 ZINC000823401995 899012079 /nfs/dbraw/zinc/01/20/79/899012079.db2.gz NXKYIEGBOLKALA-UHFFFAOYSA-N 1 0 396.422 3.633 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1 ZINC000331625327 899034886 /nfs/dbraw/zinc/03/48/86/899034886.db2.gz RRIVSJLBVSGPRH-QMZRJTEUSA-N 1 0 397.563 3.812 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)[C@H](C#N)CCc3ccccc3)CCCCC2)CCO1 ZINC001136727757 899054429 /nfs/dbraw/zinc/05/44/29/899054429.db2.gz YCLUIKDUDMSSJI-NRFANRHFSA-N 1 0 397.563 3.689 20 30 GHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)NCC3CCC(C#N)CC3)n2)C1 ZINC000570004343 899066274 /nfs/dbraw/zinc/06/62/74/899066274.db2.gz SNSSIDGWXVTBLF-QQFBHYJXSA-N 1 0 375.542 3.826 20 30 GHEDRO C=CC[C@@]1(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CCCN1C(=O)OC(C)(C)C ZINC001136732843 899088551 /nfs/dbraw/zinc/08/85/51/899088551.db2.gz HRUJJNHWXSZOGX-AVRDEDQJSA-N 1 0 393.572 3.713 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCSCc2ccccc2C#N)C1 ZINC000823602419 899125931 /nfs/dbraw/zinc/12/59/31/899125931.db2.gz MQMXBXMZPBJVEH-WIYYLYMNSA-N 1 0 387.549 3.638 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C2 ZINC000884162144 899135607 /nfs/dbraw/zinc/13/56/07/899135607.db2.gz XDJHLUZLZZJJSY-DHLYWDTCSA-N 1 0 397.881 3.824 20 30 GHEDRO Cc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c(Oc2ccccc2)c1 ZINC000884163884 899142889 /nfs/dbraw/zinc/14/28/89/899142889.db2.gz RTOJAPBEOIXQNV-KPRXVCGWSA-N 1 0 375.472 3.543 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H]2Cc3cccc(O)c3C2)sc2c1CCCCC2 ZINC000570264482 899231262 /nfs/dbraw/zinc/23/12/62/899231262.db2.gz GSBPSZCDSGDHNY-HNNXBMFYSA-N 1 0 395.528 3.680 20 30 GHEDRO N#CCOc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000113370538 899237491 /nfs/dbraw/zinc/23/74/91/899237491.db2.gz RCPYMSPBZIQHQB-UHFFFAOYSA-N 1 0 392.503 3.574 20 30 GHEDRO C#CCCN(CCOC)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000823869053 899286930 /nfs/dbraw/zinc/28/69/30/899286930.db2.gz PZFOGKBJAVDNLN-UHFFFAOYSA-N 1 0 389.565 3.768 20 30 GHEDRO Cc1cc(C(C)(C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1Br ZINC000570554843 899383538 /nfs/dbraw/zinc/38/35/38/899383538.db2.gz BXZREAKXFVVDMY-SFHVURJKSA-N 1 0 380.330 3.637 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000570683710 899505727 /nfs/dbraw/zinc/50/57/27/899505727.db2.gz JJWKFJRDZMMLLX-XBYSBRQOSA-N 1 0 389.499 3.604 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000570859129 899646013 /nfs/dbraw/zinc/64/60/13/899646013.db2.gz YARPOGKQDIIPOR-DZFGPLHGSA-N 1 0 383.561 3.686 20 30 GHEDRO C[C@H]([NH2+]CCCSCC#N)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824592290 899707652 /nfs/dbraw/zinc/70/76/52/899707652.db2.gz LOPJDSXNCOBQQD-HNNXBMFYSA-N 1 0 378.505 3.831 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(C)nc1Br)C(C)C ZINC000134168076 899708803 /nfs/dbraw/zinc/70/88/03/899708803.db2.gz VSWKUOMYBNSDIV-INIZCTEOSA-N 1 0 380.330 3.581 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)s1 ZINC000571129556 899754006 /nfs/dbraw/zinc/75/40/06/899754006.db2.gz JPOIFGDTMFAXRW-JSGCOSHPSA-N 1 0 395.322 3.667 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C2 ZINC000884320085 899783460 /nfs/dbraw/zinc/78/34/60/899783460.db2.gz KKHMLYXYMOKYRN-JYQVMZAVSA-N 1 0 391.437 3.597 20 30 GHEDRO CC(C)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(C(F)(F)F)cc1 ZINC000884324871 899800286 /nfs/dbraw/zinc/80/02/86/899800286.db2.gz BXWCDZOIUVETJE-LBXLTVQDSA-N 1 0 379.426 3.658 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000121090543 899949855 /nfs/dbraw/zinc/94/98/55/899949855.db2.gz YRUBDCSGYXAFQC-MRXNPFEDSA-N 1 0 396.466 3.580 20 30 GHEDRO CN(C)c1cc(NCc2ccc(N(C)CCC#N)cc2)[nH+]cc1Br ZINC000825103732 899952831 /nfs/dbraw/zinc/95/28/31/899952831.db2.gz HFTRURXCKFKLQT-UHFFFAOYSA-N 1 0 388.313 3.872 20 30 GHEDRO C#Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000825225913 900034643 /nfs/dbraw/zinc/03/46/43/900034643.db2.gz BHIVFXQNJNXKML-HBMCJLEFSA-N 1 0 384.520 3.562 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000825257041 900054247 /nfs/dbraw/zinc/05/42/47/900054247.db2.gz RPSJOQBZTJGTBH-MOPGFXCFSA-N 1 0 386.540 3.819 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000825263313 900058389 /nfs/dbraw/zinc/05/83/89/900058389.db2.gz PTTGBOCUJJSQCD-MAUKXSAKSA-N 1 0 390.524 3.912 20 30 GHEDRO CCc1cccc2c(C3CCN(C(=O)C4CC5(C4)C[NH2+]C[C@H]5C#N)CC3)c[nH]c21 ZINC000884427308 900073307 /nfs/dbraw/zinc/07/33/07/900073307.db2.gz QSFXYKPVFFBWMJ-IQJRZOLZSA-N 1 0 390.531 3.576 20 30 GHEDRO COc1cc2ccccc2cc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000572210801 900103219 /nfs/dbraw/zinc/10/32/19/900103219.db2.gz HSSUOCOYZHNJLY-JOCHJYFZSA-N 1 0 385.467 3.611 20 30 GHEDRO CCc1nc(C#N)cc(N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000884592538 900185850 /nfs/dbraw/zinc/18/58/50/900185850.db2.gz QJCNZCWALAXTQY-IBGZPJMESA-N 1 0 391.519 3.536 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)Cc1ccccc1 ZINC000135262527 900210952 /nfs/dbraw/zinc/21/09/52/900210952.db2.gz PRLYJBFFVGNKAW-IBGZPJMESA-N 1 0 398.482 3.803 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000135299936 900218657 /nfs/dbraw/zinc/21/86/57/900218657.db2.gz OXVXCFGMFRIDGY-IBGZPJMESA-N 1 0 382.439 3.687 20 30 GHEDRO C=C[C@@H](CC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccccc1 ZINC000844163911 900581824 /nfs/dbraw/zinc/58/18/24/900581824.db2.gz OOAKWMUAKDHIQT-KRWDZBQOSA-N 1 0 378.472 3.894 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)CC2 ZINC000573847584 900663996 /nfs/dbraw/zinc/66/39/96/900663996.db2.gz IALFYRAAZNGUTI-UZLBHIALSA-N 1 0 385.305 3.749 20 30 GHEDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)cc1 ZINC000805927119 900699869 /nfs/dbraw/zinc/69/98/69/900699869.db2.gz AAHNLUYLNYCXPM-NRFANRHFSA-N 1 0 392.503 3.621 20 30 GHEDRO Cc1ccc(-c2noc(CCC[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)n2)cc1F ZINC000844370980 900736643 /nfs/dbraw/zinc/73/66/43/900736643.db2.gz VQPQVAFMVUAISB-HXUWFJFHSA-N 1 0 394.450 3.654 20 30 GHEDRO C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371644 900739167 /nfs/dbraw/zinc/73/91/67/900739167.db2.gz PMCNUWFCTRPNJH-FQEVSTJZSA-N 1 0 396.487 3.558 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000574121319 900782566 /nfs/dbraw/zinc/78/25/66/900782566.db2.gz CDRCQQXBWGBITG-WIYYLYMNSA-N 1 0 385.895 3.634 20 30 GHEDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399530 900796405 /nfs/dbraw/zinc/79/64/05/900796405.db2.gz CBVZFEQEGQXMHA-LSTHTHJFSA-N 1 0 387.524 3.607 20 30 GHEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000157895656 900884722 /nfs/dbraw/zinc/88/47/22/900884722.db2.gz ZWTZJRPCZPDRST-UHFFFAOYSA-N 1 0 398.429 3.837 20 30 GHEDRO COC[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCCOC1 ZINC000886359765 900954982 /nfs/dbraw/zinc/95/49/82/900954982.db2.gz JOPJEDQNWSPMIQ-FYYLOGMGSA-N 1 0 380.488 3.668 20 30 GHEDRO N#CC1(CCN2CC[N@@H+](CCC3(C#N)CCCCC3)C[C@H]2CO)CCCCC1 ZINC000886369746 900959574 /nfs/dbraw/zinc/95/95/74/900959574.db2.gz OKFHYDBXFRQXQR-NRFANRHFSA-N 1 0 386.584 3.693 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1F ZINC000574727446 900984415 /nfs/dbraw/zinc/98/44/15/900984415.db2.gz DNNAXEYIEZHGRO-UHFFFAOYSA-N 1 0 380.467 3.870 20 30 GHEDRO C=CCN1C[C@@H](c2ccccc2)[C@]2(CCN(Cc3ncc(Cl)s3)C2)C1=O ZINC001275519900 914499502 /nfs/dbraw/zinc/49/95/02/914499502.db2.gz HMGMDPSBGYGIQB-OXJNMPFZSA-N 1 0 387.936 3.801 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cncc(C#N)c3)C[C@@H]2c2ccccc21 ZINC001144074655 901037394 /nfs/dbraw/zinc/03/73/94/901037394.db2.gz YSCRMIKNGLBXCS-QUCCMNQESA-N 1 0 390.487 3.924 20 30 GHEDRO CC[N@@H+]1CCCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000158246590 901136394 /nfs/dbraw/zinc/13/63/94/901136394.db2.gz QPIFAHXJLMJWAG-UHFFFAOYSA-N 1 0 379.504 3.673 20 30 GHEDRO C#CCN(C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000886578976 901176672 /nfs/dbraw/zinc/17/66/72/901176672.db2.gz SLZGOBQLHKESNO-LJQANCHMSA-N 1 0 388.511 3.577 20 30 GHEDRO COc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc(SC)c(C#N)c2)cc1 ZINC000886690373 901228134 /nfs/dbraw/zinc/22/81/34/901228134.db2.gz VERWDWASOGCXLD-FQEVSTJZSA-N 1 0 393.516 3.801 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080165744 901305568 /nfs/dbraw/zinc/30/55/68/901305568.db2.gz NMGUFHPRXVLNIV-XMSQKQJNSA-N 1 0 376.504 3.753 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000886927707 901330282 /nfs/dbraw/zinc/33/02/82/901330282.db2.gz TUNFWJVJYGEDKB-OAQYLSRUSA-N 1 0 395.532 3.603 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)cc1OCCCC#N ZINC000092483016 901496126 /nfs/dbraw/zinc/49/61/26/901496126.db2.gz XLQSAMWBHACPJR-UHFFFAOYSA-N 1 0 386.521 3.547 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000575957854 901520482 /nfs/dbraw/zinc/52/04/82/901520482.db2.gz UKKHOYPVEQFBHG-HNNXBMFYSA-N 1 0 375.879 3.597 20 30 GHEDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC(C)(C)CCC#N)CC3)cc2NC1=O ZINC000093008057 901522442 /nfs/dbraw/zinc/52/24/42/901522442.db2.gz XOBVSJNVMCOBOR-OAHLLOKOSA-N 1 0 383.492 3.631 20 30 GHEDRO C#CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CCCc2ccccc21 ZINC000887232749 901612768 /nfs/dbraw/zinc/61/27/68/901612768.db2.gz WSRSXHGMSALNNE-RBBKRZOGSA-N 1 0 382.573 3.743 20 30 GHEDRO CC(C)(NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000844953387 901617732 /nfs/dbraw/zinc/61/77/32/901617732.db2.gz MRUVIKOQJJSXPV-UHFFFAOYSA-N 1 0 394.494 3.896 20 30 GHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000122011385 901715173 /nfs/dbraw/zinc/71/51/73/901715173.db2.gz TVOKKHPJJAZDQH-UHFFFAOYSA-N 1 0 395.528 3.627 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(I)cc1 ZINC001171180607 902151272 /nfs/dbraw/zinc/15/12/72/902151272.db2.gz BLSXWBHISBNORV-ZDUSSCGKSA-N 1 0 376.241 3.884 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001171191706 902249037 /nfs/dbraw/zinc/24/90/37/902249037.db2.gz CTVSOFLEYAKYLQ-NAKSJZFLSA-N 1 0 387.483 3.931 20 30 GHEDRO C[C@H]1C[C@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000126120598 902288942 /nfs/dbraw/zinc/28/89/42/902288942.db2.gz PANMYNHHXVVIET-SIKLNZKXSA-N 1 0 391.515 3.643 20 30 GHEDRO C=C(C)CN1CC2(CCC1=O)CC[NH+](CCc1c(Cl)ncnc1Cl)CC2 ZINC001275533656 914613331 /nfs/dbraw/zinc/61/33/31/914613331.db2.gz XYTISOLHWXVTOL-UHFFFAOYSA-N 1 0 397.350 3.607 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001171197837 902377637 /nfs/dbraw/zinc/37/76/37/902377637.db2.gz DELNQARNSHMAEQ-AWEZNQCLSA-N 1 0 389.425 3.557 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)NCc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000047793722 902425046 /nfs/dbraw/zinc/42/50/46/902425046.db2.gz MEDVJXFAWLVVAK-JOCHJYFZSA-N 1 0 392.503 3.593 20 30 GHEDRO CCC1(CO)CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000127741561 902544821 /nfs/dbraw/zinc/54/48/21/902544821.db2.gz FQMPYQYHAMZQCD-MRXNPFEDSA-N 1 0 375.538 3.504 20 30 GHEDRO COc1cc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)ccc1OCC(F)(F)F ZINC000846007896 902587303 /nfs/dbraw/zinc/58/73/03/902587303.db2.gz RCPCBBICAZKIQF-QGZVFWFLSA-N 1 0 394.393 3.673 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1OCCCC#N ZINC000263971746 902728379 /nfs/dbraw/zinc/72/83/79/902728379.db2.gz BOVXPEBLPONQMV-INIZCTEOSA-N 1 0 393.487 3.747 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001171216773 902782983 /nfs/dbraw/zinc/78/29/83/902782983.db2.gz LBRPLTCBKSCAKJ-PVERMEFCSA-N 1 0 391.515 3.723 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)C2)c(F)c1 ZINC000577456219 902786989 /nfs/dbraw/zinc/78/69/89/902786989.db2.gz UFXLFBRDJIFHSV-FXAWDEMLSA-N 1 0 382.487 3.695 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC001171218674 902820324 /nfs/dbraw/zinc/82/03/24/902820324.db2.gz VWRUJCTZNPCPGY-AUSIDOKSSA-N 1 0 387.527 3.970 20 30 GHEDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)cc2)cc1 ZINC000600723228 902844524 /nfs/dbraw/zinc/84/45/24/902844524.db2.gz KGJWWGOMPKJPLR-OAQYLSRUSA-N 1 0 380.488 3.523 20 30 GHEDRO C[C@H](CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000600727899 902851985 /nfs/dbraw/zinc/85/19/85/902851985.db2.gz LIKDLVHUOVQGMM-QAPCUYQASA-N 1 0 384.442 3.860 20 30 GHEDRO Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c(Oc2ccccc2)c1 ZINC000600731819 902855670 /nfs/dbraw/zinc/85/56/70/902855670.db2.gz UWPPSUMSKRNWNL-HXUWFJFHSA-N 1 0 380.488 3.948 20 30 GHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000846341295 902905489 /nfs/dbraw/zinc/90/54/89/902905489.db2.gz OUYQYDMYQHLMKE-JOCHJYFZSA-N 1 0 379.504 3.596 20 30 GHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000577632352 902976743 /nfs/dbraw/zinc/97/67/43/902976743.db2.gz HCSFJEUUWAWHOB-KRWDZBQOSA-N 1 0 399.505 3.907 20 30 GHEDRO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171233001 903048607 /nfs/dbraw/zinc/04/86/07/903048607.db2.gz YNSDJGYJRYDIAP-RDPSFJRHSA-N 1 0 377.532 3.712 20 30 GHEDRO N#CCc1ccccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000601029443 903246258 /nfs/dbraw/zinc/24/62/58/903246258.db2.gz WRXKPDSRVXJXEW-UHFFFAOYSA-N 1 0 390.487 3.819 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@H+](C)C3(CCCCC3)C2)cc1 ZINC000846947390 903340464 /nfs/dbraw/zinc/34/04/64/903340464.db2.gz RABJYLKVWRNIAN-HXUWFJFHSA-N 1 0 382.552 3.581 20 30 GHEDRO N#CCCC[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000601125314 903361027 /nfs/dbraw/zinc/36/10/27/903361027.db2.gz ZYCGVISIRQIGTA-KRWDZBQOSA-N 1 0 377.897 3.512 20 30 GHEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000577994101 903424718 /nfs/dbraw/zinc/42/47/18/903424718.db2.gz XVLIKSVEDRBWQV-NZQKXSOJSA-N 1 0 389.499 3.627 20 30 GHEDRO N#CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000601174427 903426453 /nfs/dbraw/zinc/42/64/53/903426453.db2.gz CCTXEAUTZVGOIR-GOSISDBHSA-N 1 0 387.405 3.776 20 30 GHEDRO COC(=O)c1cc2cc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ncc2o1 ZINC001171274894 903465627 /nfs/dbraw/zinc/46/56/27/903465627.db2.gz JUUYPKFJUJCZJT-UHFFFAOYSA-N 1 0 390.443 3.585 20 30 GHEDRO C=CCn1c(CC2CC2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000578052727 903479414 /nfs/dbraw/zinc/47/94/14/903479414.db2.gz ZGYXTUUUCPKECG-DEOSSOPVSA-N 1 0 391.563 3.909 20 30 GHEDRO CCOC(=O)c1cc(C)nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171275276 903482078 /nfs/dbraw/zinc/48/20/78/903482078.db2.gz WPCSSCQFRYEIFI-UHFFFAOYSA-N 1 0 378.476 3.537 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001146419420 903533516 /nfs/dbraw/zinc/53/35/16/903533516.db2.gz ITJGVUNAEFJREU-ROUUACIJSA-N 1 0 381.561 3.617 20 30 GHEDRO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001146420681 903534767 /nfs/dbraw/zinc/53/47/67/903534767.db2.gz HAYMMMYBOXSMIH-OALUTQOASA-N 1 0 395.588 3.957 20 30 GHEDRO C#CCOc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001146478848 903550404 /nfs/dbraw/zinc/55/04/04/903550404.db2.gz XGWQKZGPRZOJMO-UHFFFAOYSA-N 1 0 397.906 3.503 20 30 GHEDRO Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C#N ZINC001171282625 903583180 /nfs/dbraw/zinc/58/31/80/903583180.db2.gz VMGOTROSSFOADC-UHFFFAOYSA-N 1 0 375.432 3.745 20 30 GHEDRO COc1cccc(C2([NH2+]Cc3ccc(N(C)CCC#N)cc3)CCOCC2)c1F ZINC000775047908 914750697 /nfs/dbraw/zinc/75/06/97/914750697.db2.gz OFHPGZNBJBENHS-UHFFFAOYSA-N 1 0 397.494 3.980 20 30 GHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2sc3ccc(C#N)cc3c2C)[C@@H](C)C1 ZINC000578558029 903958721 /nfs/dbraw/zinc/95/87/21/903958721.db2.gz XZZDRPQUNNVZHE-KXBFYZLASA-N 1 0 399.560 3.948 20 30 GHEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000578586760 903986624 /nfs/dbraw/zinc/98/66/24/903986624.db2.gz ULNBKRRZQSHHNM-LJQANCHMSA-N 1 0 388.519 3.742 20 30 GHEDRO CC(C)Oc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001148775063 904206928 /nfs/dbraw/zinc/20/69/28/904206928.db2.gz PDFWQXGNLFJFTK-HXUWFJFHSA-N 1 0 391.515 3.987 20 30 GHEDRO C[C@H]1CN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+](C2CC2)C1 ZINC000578971595 904268781 /nfs/dbraw/zinc/26/87/81/904268781.db2.gz UTTKKSLQJGXJDE-GOSISDBHSA-N 1 0 388.515 3.851 20 30 GHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000773042499 904393566 /nfs/dbraw/zinc/39/35/66/904393566.db2.gz VZYHPNWDQYFLMS-HNNXBMFYSA-N 1 0 391.920 3.999 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001171374745 904399707 /nfs/dbraw/zinc/39/97/07/904399707.db2.gz UZPUPFBHPWNISS-OXQOHEQNSA-N 1 0 377.488 3.575 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)cc1 ZINC000579328745 904521063 /nfs/dbraw/zinc/52/10/63/904521063.db2.gz QKEPOLXFUNWKNW-HDICACEKSA-N 1 0 376.460 3.814 20 30 GHEDRO N#CC1(c2ccccn2)CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000579497416 904652896 /nfs/dbraw/zinc/65/28/96/904652896.db2.gz BWJKVBKRWQSBEK-QGZVFWFLSA-N 1 0 389.421 3.561 20 30 GHEDRO CC(C)[NH+]1CCN(Cc2ccc(NCCOc3ccc(C#N)cc3)c(F)c2)CC1 ZINC001171484665 904728678 /nfs/dbraw/zinc/72/86/78/904728678.db2.gz OMMDGNRAGJUZFQ-UHFFFAOYSA-N 1 0 396.510 3.714 20 30 GHEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171531082 904756464 /nfs/dbraw/zinc/75/64/64/904756464.db2.gz WZCFEYOPFGERCQ-OAHLLOKOSA-N 1 0 382.426 3.585 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540627 904766944 /nfs/dbraw/zinc/76/69/44/904766944.db2.gz UMAWWFMOYPCTDB-XFQAVAEZSA-N 1 0 381.438 3.787 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000779157765 904812342 /nfs/dbraw/zinc/81/23/42/904812342.db2.gz RZGJWTHCEXJPKH-INIZCTEOSA-N 1 0 376.928 3.726 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000188050003 904864154 /nfs/dbraw/zinc/86/41/54/904864154.db2.gz WBRQEACKNBQCOE-UHFFFAOYSA-N 1 0 387.430 3.573 20 30 GHEDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCc2ccc(Cl)cc21 ZINC001171719173 904946169 /nfs/dbraw/zinc/94/61/69/904946169.db2.gz OUHWTKBCPMUNEY-JXFKEZNVSA-N 1 0 384.907 3.808 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)CC12CCC2 ZINC001171840167 905090459 /nfs/dbraw/zinc/09/04/59/905090459.db2.gz YNBVHXCDXQDGRS-SFHVURJKSA-N 1 0 385.508 3.849 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C#N)ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000189537139 905144360 /nfs/dbraw/zinc/14/43/60/905144360.db2.gz GVKAGQFTSPIVSC-IFMALSPDSA-N 1 0 390.487 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](Cc3cncc(C#N)c3)C2)CC1 ZINC001171920810 905151626 /nfs/dbraw/zinc/15/16/26/905151626.db2.gz NUKUHPYZZQHGSE-HXUWFJFHSA-N 1 0 384.524 3.812 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)CC2 ZINC001171927609 905182892 /nfs/dbraw/zinc/18/28/92/905182892.db2.gz SEDBIROIPBALBS-MTNXOHHFSA-N 1 0 390.568 3.920 20 30 GHEDRO O=C1C=C2C[N@H+](C3CCN(c4ccc(Br)cc4)CC3)CCC2S1 ZINC001171990664 905200579 /nfs/dbraw/zinc/20/05/79/905200579.db2.gz CRMVDDMZSHDGPP-KRWDZBQOSA-N 1 0 393.350 3.692 20 30 GHEDRO C=CCOC(=O)N[C@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990720 905201426 /nfs/dbraw/zinc/20/14/26/905201426.db2.gz NFGAHYRHRUDGFR-LEWJYISDSA-N 1 0 385.552 3.806 20 30 GHEDRO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)CC1 ZINC001172056370 905256885 /nfs/dbraw/zinc/25/68/85/905256885.db2.gz FTRASDRIQGTIBC-LJQANCHMSA-N 1 0 377.573 3.892 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(COCCOCC)c2C)CC1 ZINC000174993979 905413554 /nfs/dbraw/zinc/41/35/54/905413554.db2.gz RBUQUYLBTUVCLZ-UHFFFAOYSA-N 1 0 389.540 3.710 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC001172300541 905453059 /nfs/dbraw/zinc/45/30/59/905453059.db2.gz XTINDHQFRGJFKI-NPFVIJTESA-N 1 0 379.479 3.959 20 30 GHEDRO COC(=O)[C@H](C[NH3+])c1cn([C@@H](C)Cc2ccc(C#N)cc2)c2ccc(OC)cc12 ZINC001172300558 905453119 /nfs/dbraw/zinc/45/31/19/905453119.db2.gz WTBMPLJSNBAZQS-MGPUTAFESA-N 1 0 391.471 3.541 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001172302349 905454746 /nfs/dbraw/zinc/45/47/46/905454746.db2.gz IFAWJGVQFYDSCK-RHSMWYFYSA-N 1 0 379.451 3.724 20 30 GHEDRO CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172306755 905463019 /nfs/dbraw/zinc/46/30/19/905463019.db2.gz YLKJELJPPBSLCK-KRWDZBQOSA-N 1 0 378.520 3.691 20 30 GHEDRO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@@H](C)Cc4ccc(C#N)cc4)C3)C2=O)c1 ZINC001172307110 905463441 /nfs/dbraw/zinc/46/34/41/905463441.db2.gz DVLJDOWMVYLBNK-NBGIEHNGSA-N 1 0 387.527 3.922 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001172308513 905465377 /nfs/dbraw/zinc/46/53/77/905465377.db2.gz NREVBQDVPMZPML-SFHVURJKSA-N 1 0 387.487 3.566 20 30 GHEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001172309607 905467301 /nfs/dbraw/zinc/46/73/01/905467301.db2.gz UQPIAUCCKIYAHC-HXOBKFHXSA-N 1 0 377.463 3.757 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172310966 905469392 /nfs/dbraw/zinc/46/93/92/905469392.db2.gz MOQUQYRQGQHKSM-KRWDZBQOSA-N 1 0 375.472 3.913 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2nccn2C[C@H](Cn2ncccc2=O)C1 ZINC001172354332 905524144 /nfs/dbraw/zinc/52/41/44/905524144.db2.gz GOYOVXUJRJTEGO-VQTJNVASSA-N 1 0 385.556 3.711 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001172353694 905525179 /nfs/dbraw/zinc/52/51/79/905525179.db2.gz AOJFERWMXNIQFU-NZQKXSOJSA-N 1 0 393.616 3.965 20 30 GHEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001172358829 905526855 /nfs/dbraw/zinc/52/68/55/905526855.db2.gz SGYSIDDUBWNIRB-ADYITMSISA-N 1 0 394.600 3.996 20 30 GHEDRO CCCCCCC[C@H](CC)[N@@H+]1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001172355682 905527107 /nfs/dbraw/zinc/52/71/07/905527107.db2.gz QTRYRLCSTJQMCI-FQEVSTJZSA-N 1 0 385.556 3.833 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1ccc(F)c(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000175381117 905551752 /nfs/dbraw/zinc/55/17/52/905551752.db2.gz JXKQNGMHBLCMBE-UHFFFAOYSA-O 1 0 388.532 3.816 20 30 GHEDRO CCOC(=O)C[C@H]([NH2+][C@@H](C)CCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172483084 905558071 /nfs/dbraw/zinc/55/80/71/905558071.db2.gz NDLBTLSLZHWZDE-WMZOPIPTSA-N 1 0 395.544 3.627 20 30 GHEDRO CCOC(=O)C[C@H]([NH2+][C@H](C)CCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172483081 905558286 /nfs/dbraw/zinc/55/82/86/905558286.db2.gz NDLBTLSLZHWZDE-AEFFLSMTSA-N 1 0 395.544 3.627 20 30 GHEDRO CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001172501538 905599770 /nfs/dbraw/zinc/59/97/70/905599770.db2.gz IMUPOQBLADOHMV-UXHICEINSA-N 1 0 392.588 3.704 20 30 GHEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001172506007 905601783 /nfs/dbraw/zinc/60/17/83/905601783.db2.gz ZAOYAHMRWYXZNX-VWPQPMDRSA-N 1 0 382.589 3.902 20 30 GHEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC001172510770 905603545 /nfs/dbraw/zinc/60/35/45/905603545.db2.gz JDLALCYRKIBEHD-XAPVIXHLSA-N 1 0 382.589 3.852 20 30 GHEDRO C[C@H](CCCC#N)[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC001172510150 905603752 /nfs/dbraw/zinc/60/37/52/905603752.db2.gz WHQMIYUJFAVFII-CQSZACIVSA-N 1 0 378.314 3.726 20 30 GHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)o2)cc1 ZINC000175815594 905672911 /nfs/dbraw/zinc/67/29/11/905672911.db2.gz BIEWMODSZKSRLT-SJORKVTESA-N 1 0 380.473 3.758 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801602024 921180717 /nfs/dbraw/zinc/18/07/17/921180717.db2.gz TVKAZIUYKARPPD-GOSISDBHSA-N 1 0 394.475 3.713 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCC[C@H](C(=O)OC)CC3)CC2)C1 ZINC001172781280 905822167 /nfs/dbraw/zinc/82/21/67/905822167.db2.gz IABZVPORZODSFZ-RBUKOAKNSA-N 1 0 392.540 3.609 20 30 GHEDRO C=CCOCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000628087887 905937222 /nfs/dbraw/zinc/93/72/22/905937222.db2.gz LXTYHXFUYYPTEO-WOJBJXKFSA-N 1 0 384.545 3.673 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C[C@H]1C#N ZINC001172967223 906027997 /nfs/dbraw/zinc/02/79/97/906027997.db2.gz UWWRLNXWGKYSEP-CABCVRRESA-N 1 0 399.413 3.966 20 30 GHEDRO COc1ccc(CC(C)(C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172974724 906039538 /nfs/dbraw/zinc/03/95/38/906039538.db2.gz RZBLYPSGJPFEAE-MSOLQXFVSA-N 1 0 387.524 3.898 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(Cl)cc2Cl)C[C@H]1C#N ZINC001172976832 906042971 /nfs/dbraw/zinc/04/29/71/906042971.db2.gz VTSSTFAMJJRZBW-OLZOCXBDSA-N 1 0 385.295 3.770 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C[NH3+])c(C(F)(F)F)c2)C[C@H]1C#N ZINC001172981320 906048380 /nfs/dbraw/zinc/04/83/80/906048380.db2.gz LQEWGTZQTFAFHX-CABCVRRESA-N 1 0 398.429 3.868 20 30 GHEDRO Cc1ccccc1O[C@@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172985586 906051899 /nfs/dbraw/zinc/05/18/99/906051899.db2.gz RZOMQYRIGOTKEC-CEXWTWQISA-N 1 0 385.508 3.740 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(c3cccc(O)c3)CC2)C[C@H]1C#N ZINC001172990148 906053605 /nfs/dbraw/zinc/05/36/05/906053605.db2.gz MNYCAVJHAUVKAM-MOPGFXCFSA-N 1 0 385.508 3.863 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](C4CCC5(CCOCC5)CC4)C3)CC2=O)c1 ZINC001173048472 906120877 /nfs/dbraw/zinc/12/08/77/906120877.db2.gz WEDYWJBEMQEDJV-DEOSSOPVSA-N 1 0 393.531 3.726 20 30 GHEDRO C[C@@H]1CC[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CN1C(=O)OC(C)(C)C ZINC001173051851 906124286 /nfs/dbraw/zinc/12/42/86/906124286.db2.gz AFTMGQXKOVQRPX-CRAIPNDOSA-N 1 0 382.508 3.975 20 30 GHEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001173215965 906292884 /nfs/dbraw/zinc/29/28/84/906292884.db2.gz BGCXVQRZWZDGKQ-SFHVURJKSA-N 1 0 378.476 3.674 20 30 GHEDRO Cc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000178544704 906357789 /nfs/dbraw/zinc/35/77/89/906357789.db2.gz OVKHFKHYIAYKAR-OAHLLOKOSA-O 1 0 389.928 3.501 20 30 GHEDRO C=CCOC1CCC(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CC1 ZINC001173322615 906372111 /nfs/dbraw/zinc/37/21/11/906372111.db2.gz GUNYSDZFYYSXLZ-UHFFFAOYSA-N 1 0 384.446 3.568 20 30 GHEDRO Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173335618 906380194 /nfs/dbraw/zinc/38/01/94/906380194.db2.gz SPGCPVPBQOMVFW-KKESGTFJSA-N 1 0 396.535 3.528 20 30 GHEDRO C=CCOC1CCC([NH2+]C[C@H]2C[C@]2(C(=O)N(CC)CC)c2ccccc2)CC1 ZINC001173314318 906387547 /nfs/dbraw/zinc/38/75/47/906387547.db2.gz OEASLIFCTXZKCO-BSYXDCGDSA-N 1 0 384.564 3.916 20 30 GHEDRO C=CCOC1CCC([NH2+]C2CCN(Cc3ccccc3C(=O)OC)CC2)CC1 ZINC001173315967 906389235 /nfs/dbraw/zinc/38/92/35/906389235.db2.gz DAMHWLDPMWBSEE-UHFFFAOYSA-N 1 0 386.536 3.541 20 30 GHEDRO COc1ccccc1[C@H](C)[N@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433670 906468560 /nfs/dbraw/zinc/46/85/60/906468560.db2.gz UKCFEMDIYVHDJI-KRWDZBQOSA-N 1 0 377.488 3.864 20 30 GHEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000179634579 906546794 /nfs/dbraw/zinc/54/67/94/906546794.db2.gz YIYUZTOZPUIELY-KBPBESRZSA-N 1 0 385.464 3.772 20 30 GHEDRO CC(C)(C)OC(=O)NC1CCN([C@H]2CC[N@@H+](C3CCC(C)(C#N)CC3)C2)CC1 ZINC001173597045 906550637 /nfs/dbraw/zinc/55/06/37/906550637.db2.gz KHOAKVGZZRASLV-LVIWNVNYSA-N 1 0 390.572 3.522 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCN(C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)C1 ZINC001173596671 906550784 /nfs/dbraw/zinc/55/07/84/906550784.db2.gz BENDAMXBSWTXQE-PDDLGQBUSA-N 1 0 390.572 3.522 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)CC1 ZINC001173596149 906551412 /nfs/dbraw/zinc/55/14/12/906551412.db2.gz LIERDEKBBMURRM-WTYTYNAUSA-N 1 0 387.499 3.943 20 30 GHEDRO Cc1nc(CN2CCO[C@H]3CC[N@@H+](C4CCC(C)(C#N)CC4)CC[C@H]32)cs1 ZINC001173596261 906551576 /nfs/dbraw/zinc/55/15/76/906551576.db2.gz PLTRGZPTJYFJQI-YZDRJCRTSA-N 1 0 388.581 3.589 20 30 GHEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000179925748 906636200 /nfs/dbraw/zinc/63/62/00/906636200.db2.gz GYKUCHDUNQIZIS-QHCPKHFHSA-N 1 0 391.515 3.635 20 30 GHEDRO C=CCN1CCC[C@H]([NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1=O ZINC001173701579 906652096 /nfs/dbraw/zinc/65/20/96/906652096.db2.gz BLKAYEICRDJTGY-VWNXMTODSA-N 1 0 390.527 3.890 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000180011699 906659223 /nfs/dbraw/zinc/65/92/23/906659223.db2.gz DKQXMLJHZDRPEY-SJORKVTESA-N 1 0 393.491 3.720 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000181303337 906970258 /nfs/dbraw/zinc/97/02/58/906970258.db2.gz WMYKNJBHSRAFMG-KRWDZBQOSA-N 1 0 393.491 3.763 20 30 GHEDRO Cc1nc2ccccc2n1CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181406779 906995158 /nfs/dbraw/zinc/99/51/58/906995158.db2.gz PLNCENZWDMRDIA-UHFFFAOYSA-N 1 0 387.531 3.861 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000181581742 907030842 /nfs/dbraw/zinc/03/08/42/907030842.db2.gz DBMDCJICFULGEA-UHFFFAOYSA-N 1 0 380.448 3.529 20 30 GHEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N(C)C)cc1OC ZINC000181918143 907100613 /nfs/dbraw/zinc/10/06/13/907100613.db2.gz SXVAQBDPFUTVEY-OXQOHEQNSA-N 1 0 383.492 3.560 20 30 GHEDRO C[C@H](O)[C@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000191714079 907172565 /nfs/dbraw/zinc/17/25/65/907172565.db2.gz TZLRTWNMBNSVMC-UUOWRZLLSA-N 1 0 388.515 3.678 20 30 GHEDRO C=CC[C@H]1CC[N@@H+](C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C1 ZINC001174891701 907272939 /nfs/dbraw/zinc/27/29/39/907272939.db2.gz VASIEPWDUAUKGG-UGKGYDQZSA-N 1 0 384.545 3.913 20 30 GHEDRO COc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)c1OC ZINC000182878439 907280799 /nfs/dbraw/zinc/28/07/99/907280799.db2.gz WJSWYQXHVLAIMY-UHFFFAOYSA-N 1 0 381.476 3.661 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000773428117 907291526 /nfs/dbraw/zinc/29/15/26/907291526.db2.gz IZKHERLSTJKUSQ-GHTZIAJQSA-N 1 0 376.460 3.734 20 30 GHEDRO C=CCc1cc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc(OC)c1O ZINC000183780473 907457040 /nfs/dbraw/zinc/45/70/40/907457040.db2.gz JPJCLZVHUHFMHD-UHFFFAOYSA-N 1 0 397.519 3.940 20 30 GHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c(C#N)c1C ZINC001175353407 907515175 /nfs/dbraw/zinc/51/51/75/907515175.db2.gz YIFYPJJZRDHKHX-IEBWSBKVSA-N 1 0 386.540 3.682 20 30 GHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000184339449 907565248 /nfs/dbraw/zinc/56/52/48/907565248.db2.gz NWDZVZAIECFHAN-YLJYHZDGSA-N 1 0 378.476 3.936 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001175632033 907651558 /nfs/dbraw/zinc/65/15/58/907651558.db2.gz XAHTVIVOQAZLKP-VGOFRKELSA-N 1 0 393.572 3.694 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2ccccc2-c2ccc(C#N)cn2)cc1 ZINC001175814253 907771148 /nfs/dbraw/zinc/77/11/48/907771148.db2.gz GMDZJJBYCGKRQQ-UHFFFAOYSA-N 1 0 385.471 3.655 20 30 GHEDRO C[Si](C)(C)C#Cc1nc(Br)cnc1Nc1ccc(C[NH3+])cc1 ZINC001175966331 907843705 /nfs/dbraw/zinc/84/37/05/907843705.db2.gz LDNAMERZHYASFO-UHFFFAOYSA-N 1 0 375.346 3.670 20 30 GHEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H]1CCCC[C@H]1C)[n+]1cccc(C)c1 ZINC000186963179 908012230 /nfs/dbraw/zinc/01/22/30/908012230.db2.gz MZASDWDRFURGJK-PBHICJAKSA-O 1 0 386.541 3.994 20 30 GHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1cccc(C)c1 ZINC000186981757 908014586 /nfs/dbraw/zinc/01/45/86/908014586.db2.gz WPDDTGFLNYOWAY-UHFFFAOYSA-O 1 0 399.536 3.771 20 30 GHEDRO C#CCC1([NH2+]C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CCC1 ZINC001176382068 908058760 /nfs/dbraw/zinc/05/87/60/908058760.db2.gz VILJLMRIBGIFNU-OAQYLSRUSA-N 1 0 382.529 3.550 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2ccc(C#N)cc2Br)cn1 ZINC001176355913 908070995 /nfs/dbraw/zinc/07/09/95/908070995.db2.gz WDLHDFHFYONRTG-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO CC(C)CC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176687697 908212299 /nfs/dbraw/zinc/21/22/99/908212299.db2.gz LXPQUIJNNOMXIJ-DCAQKATOSA-N 1 0 383.323 3.886 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)C1 ZINC001176932508 908307462 /nfs/dbraw/zinc/30/74/62/908307462.db2.gz LXLPRVFCUWIINH-NZQKXSOJSA-N 1 0 399.535 3.847 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+]CC2(N3CCSCC3)CCCC2)c1 ZINC001177249980 908489465 /nfs/dbraw/zinc/48/94/65/908489465.db2.gz HKVTXLXDIWRUBN-UHFFFAOYSA-N 1 0 394.382 3.772 20 30 GHEDRO C=CCc1cc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)cc(OC)c1OC ZINC000801722784 921424769 /nfs/dbraw/zinc/42/47/69/921424769.db2.gz OMTFPXGZXHVVOK-UHFFFAOYSA-N 1 0 392.503 3.920 20 30 GHEDRO C=CCN1CCC([NH2+]Cc2cc(C)c(I)cc2C)CC1 ZINC001177683582 908696604 /nfs/dbraw/zinc/69/66/04/908696604.db2.gz KNZRGGZZSPEMTP-UHFFFAOYSA-N 1 0 384.305 3.648 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000299543868 921431303 /nfs/dbraw/zinc/43/13/03/921431303.db2.gz FPDPEMKXNZOIAW-OAHLLOKOSA-N 1 0 376.460 3.586 20 30 GHEDRO O=C(C#Cc1cccnc1)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001177777252 908731772 /nfs/dbraw/zinc/73/17/72/908731772.db2.gz OKFDUGRRYHLHOE-RUZDIDTESA-N 1 0 395.506 3.736 20 30 GHEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000779801850 908757415 /nfs/dbraw/zinc/75/74/15/908757415.db2.gz ZMTLEXDPLPPOJR-GFCCVEGCSA-N 1 0 377.275 3.844 20 30 GHEDRO N#CC(CC[N@H+]1CCCN(C(=O)C2CC2)CC1)(c1ccccc1)c1ccccc1 ZINC000193126967 908852315 /nfs/dbraw/zinc/85/23/15/908852315.db2.gz HSOMNXYHYLKMHQ-UHFFFAOYSA-N 1 0 387.527 3.831 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccccc1OCC#N ZINC000194162107 908863084 /nfs/dbraw/zinc/86/30/84/908863084.db2.gz TWRNNRJRIVTWNV-GOSISDBHSA-N 1 0 377.488 3.893 20 30 GHEDRO Cc1c(Br)ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1F ZINC000194186497 908923450 /nfs/dbraw/zinc/92/34/50/908923450.db2.gz VRODHTMLAFSZPH-UHFFFAOYSA-N 1 0 385.281 3.596 20 30 GHEDRO Cc1cccnc1C1(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001178209677 908942513 /nfs/dbraw/zinc/94/25/13/908942513.db2.gz GIJJRGZZSMZUJW-MEMLXQNLSA-N 1 0 388.515 3.592 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)ccc1O ZINC001178332809 909002722 /nfs/dbraw/zinc/00/27/22/909002722.db2.gz MCBKASWIHJZQMP-FCHUYYIVSA-N 1 0 398.466 3.513 20 30 GHEDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2=O)ccc1Br ZINC001178430496 909034635 /nfs/dbraw/zinc/03/46/35/909034635.db2.gz GTUUVBIZLUKNMO-LJQANCHMSA-N 1 0 398.304 3.914 20 30 GHEDRO Cc1cc(N2CCN(C(=O)C#Cc3ccc(F)cc3F)CC2)c2ccccc2[nH+]1 ZINC001178567937 909125261 /nfs/dbraw/zinc/12/52/61/909125261.db2.gz BSJRNKFISXVWJG-UHFFFAOYSA-N 1 0 391.421 3.522 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCc2cc(C#N)ccc21)CC(F)(F)F ZINC001178620758 909153237 /nfs/dbraw/zinc/15/32/37/909153237.db2.gz UTWSPMPVULYGAY-HOCLYGCPSA-N 1 0 383.414 3.981 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001178921722 909318498 /nfs/dbraw/zinc/31/84/98/909318498.db2.gz FWVLOSUNGPVENQ-YZGWKJHDSA-N 1 0 398.551 3.749 20 30 GHEDRO C#CCCOc1ccc(C[NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC001179158779 909405732 /nfs/dbraw/zinc/40/57/32/909405732.db2.gz BSEMVLIHBXIRPW-UHFFFAOYSA-N 1 0 389.543 3.533 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC001179294736 909453351 /nfs/dbraw/zinc/45/33/51/909453351.db2.gz FHZXMLKWLPZRAF-WBVHZDCISA-N 1 0 376.497 3.748 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)CC1 ZINC000267973016 909716300 /nfs/dbraw/zinc/71/63/00/909716300.db2.gz MXACVJNPACIVQJ-QHCPKHFHSA-N 1 0 376.500 3.637 20 30 GHEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)N[C@H](C)CC)cc1 ZINC000299650725 921548114 /nfs/dbraw/zinc/54/81/14/921548114.db2.gz WAUDQIBPFJNKPZ-OAHLLOKOSA-O 1 0 399.536 3.982 20 30 GHEDRO C[NH+](C)CCc1ccc(NC(=O)C2CCN(c3ccccc3C#N)CC2)cc1 ZINC001180507669 910217979 /nfs/dbraw/zinc/21/79/79/910217979.db2.gz NFTSTTJOOCBCOO-UHFFFAOYSA-N 1 0 376.504 3.517 20 30 GHEDRO C=CCn1c(=S)n(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccco1 ZINC000246389781 910278972 /nfs/dbraw/zinc/27/89/72/910278972.db2.gz PFNSOBKHPIIJPD-WMZOPIPTSA-N 1 0 399.564 3.766 20 30 GHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000269587882 910311573 /nfs/dbraw/zinc/31/15/73/910311573.db2.gz CGXYWCDPKTWQAO-DLBZAZTESA-N 1 0 377.492 3.539 20 30 GHEDRO C=C(C)[C@@H](CC(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000270195043 910476425 /nfs/dbraw/zinc/47/64/25/910476425.db2.gz IGCKWZYKTIWAMV-NHCUHLMSSA-N 1 0 396.535 3.948 20 30 GHEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000366412196 921583721 /nfs/dbraw/zinc/58/37/21/921583721.db2.gz HCSRGEYIFJQVKD-NWSQWKLXSA-N 1 0 376.504 3.620 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001181120905 910556733 /nfs/dbraw/zinc/55/67/33/910556733.db2.gz CVOVBPAULNQNAC-NNWRFLSQSA-N 1 0 387.568 3.880 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(F)c(C#N)c1 ZINC001181193114 910602535 /nfs/dbraw/zinc/60/25/35/910602535.db2.gz AQZASFYNCLPGJE-NRFANRHFSA-N 1 0 379.479 3.657 20 30 GHEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000271057027 910770155 /nfs/dbraw/zinc/77/01/55/910770155.db2.gz DEWJNJYILJLHDM-RYHLMMNBSA-N 1 0 397.544 3.649 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1OC ZINC000271207937 910817633 /nfs/dbraw/zinc/81/76/33/910817633.db2.gz ZBTZHYZVTULJND-UHFFFAOYSA-N 1 0 396.487 3.816 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000092092283 911395782 /nfs/dbraw/zinc/39/57/82/911395782.db2.gz VSEGSRCFXWBXKH-IEBWSBKVSA-N 1 0 378.438 3.803 20 30 GHEDRO N#Cc1cccc(CCC(=O)N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)c1 ZINC001182343286 911515656 /nfs/dbraw/zinc/51/56/56/911515656.db2.gz NZMONBYNMUIGGL-UHFFFAOYSA-N 1 0 381.907 3.707 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC001182343924 911515911 /nfs/dbraw/zinc/51/59/11/911515911.db2.gz HXYISUOJJUFDIC-LJQANCHMSA-N 1 0 388.309 3.552 20 30 GHEDRO C=C(C)COc1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)ccc1OC ZINC000092662670 911689592 /nfs/dbraw/zinc/68/95/92/911689592.db2.gz CHDMFMZIYYVCMD-HXUWFJFHSA-N 1 0 375.509 3.810 20 30 GHEDRO CCc1c(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O ZINC000284016787 911720840 /nfs/dbraw/zinc/72/08/40/911720840.db2.gz HYTUCTFAZGDHCU-UHFFFAOYSA-O 1 0 398.552 3.765 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480481 911787524 /nfs/dbraw/zinc/78/75/24/911787524.db2.gz CERHDRALIWBSAE-ZWKOTPCHSA-N 1 0 394.519 3.747 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000092849275 911857568 /nfs/dbraw/zinc/85/75/68/911857568.db2.gz BLTDQEFCIVWSTL-IFMALSPDSA-N 1 0 396.922 3.751 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2OC)C(=S)NC2(C)CC2)cc1 ZINC000284601188 911943954 /nfs/dbraw/zinc/94/39/54/911943954.db2.gz YNJINLSQENLNMM-UHFFFAOYSA-O 1 0 399.536 3.635 20 30 GHEDRO CC[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccccc1OC ZINC000775089780 915063579 /nfs/dbraw/zinc/06/35/79/915063579.db2.gz SQNPRWAHERTDEL-ROUUACIJSA-N 1 0 386.455 3.973 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000303765083 915114508 /nfs/dbraw/zinc/11/45/08/915114508.db2.gz ARQDGMYXTDXVPT-LJQANCHMSA-N 1 0 393.556 3.914 20 30 GHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000303776001 915122404 /nfs/dbraw/zinc/12/24/04/915122404.db2.gz HJECPPJZUCZGDL-UHFFFAOYSA-N 1 0 378.398 3.594 20 30 GHEDRO [NH2+]=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303779373 915124375 /nfs/dbraw/zinc/12/43/75/915124375.db2.gz KLFHTYDJQPTFDY-UHFFFAOYSA-N 1 0 375.354 3.698 20 30 GHEDRO COc1ccc(NC(=[NH2+])NCc2cc(F)ccc2Br)cc1OC ZINC000303783656 915127730 /nfs/dbraw/zinc/12/77/30/915127730.db2.gz OLRGBOYGJUTBDF-UHFFFAOYSA-N 1 0 382.233 3.532 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCc1ccc(-n2ccnc2)nc1)c1ccc(Cl)cc1Cl ZINC000303784736 915127750 /nfs/dbraw/zinc/12/77/50/915127750.db2.gz PRPSINFKGUSSIY-GFCCVEGCSA-N 1 0 389.290 3.740 20 30 GHEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1ccsc1 ZINC000303877039 915235771 /nfs/dbraw/zinc/23/57/71/915235771.db2.gz FFRUBMXCIYGGPM-MRXNPFEDSA-N 1 0 376.526 3.575 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000303878996 915238217 /nfs/dbraw/zinc/23/82/17/915238217.db2.gz JKPUNUPZGHFGML-INIZCTEOSA-N 1 0 390.528 3.848 20 30 GHEDRO CNC(=O)c1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000303885357 915296424 /nfs/dbraw/zinc/29/64/24/915296424.db2.gz JTHSRJIWGCWNBI-LLVKDONJSA-N 1 0 379.291 3.519 20 30 GHEDRO COc1ccc(OC)c(NC(=[NH2+])NCC2(c3ccccc3OC)CCCC2)c1 ZINC000303889615 915298187 /nfs/dbraw/zinc/29/81/87/915298187.db2.gz POSZSXCOPYUQLJ-UHFFFAOYSA-N 1 0 383.492 3.951 20 30 GHEDRO COc1ccc(CNC(=[NH2+])NCC(C)(C)c2cccc(Cl)c2)cc1OC ZINC000303974236 915344758 /nfs/dbraw/zinc/34/47/58/915344758.db2.gz HTQXDOBCDKCOLY-UHFFFAOYSA-N 1 0 375.900 3.739 20 30 GHEDRO [NH2+]=C(NCCCc1nc2c(s1)CCCC2)Nc1ccc2c(c1)OCCCO2 ZINC000303977526 915345909 /nfs/dbraw/zinc/34/59/09/915345909.db2.gz LHAWATZMWNESPJ-UHFFFAOYSA-N 1 0 386.521 3.543 20 30 GHEDRO C[C@H](NC(=[NH2+])NCCCNC(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000303979471 915347784 /nfs/dbraw/zinc/34/77/84/915347784.db2.gz NGMGHVYIIKDQJP-NSHDSACASA-N 1 0 399.347 3.840 20 30 GHEDRO Cc1cccc(NC(=[NH2+])NCCc2ccc(I)s2)c1 ZINC000303989023 915350489 /nfs/dbraw/zinc/35/04/89/915350489.db2.gz XHCLFSPCHPYACT-UHFFFAOYSA-N 1 0 385.274 3.630 20 30 GHEDRO [NH2+]=C(NCc1ccc(Oc2cccnc2)c(F)c1)N[C@@H]1CCOc2ccccc21 ZINC000304525382 915534564 /nfs/dbraw/zinc/53/45/64/915534564.db2.gz ZDWRIJUQMYAHAS-LJQANCHMSA-N 1 0 392.434 3.941 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c(C#N)c1C ZINC000292288212 915601718 /nfs/dbraw/zinc/60/17/18/915601718.db2.gz CFRLZLCTNNIFDC-APPDUMDISA-N 1 0 375.519 3.529 20 30 GHEDRO [NH2+]=C(NCCOc1ccc(F)cc1F)Nc1ccc(OC(F)(F)F)cc1 ZINC000304712236 915636090 /nfs/dbraw/zinc/63/60/90/915636090.db2.gz MJDCKDOPVWIACO-UHFFFAOYSA-N 1 0 375.297 3.669 20 30 GHEDRO [NH2+]=C(NCCc1ccccc1OC(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000305014800 915834914 /nfs/dbraw/zinc/83/49/14/915834914.db2.gz LPTNWMBUDHRDNJ-HNNXBMFYSA-N 1 0 379.382 3.556 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccccc3I)CC2)C1 ZINC000292799639 915850412 /nfs/dbraw/zinc/85/04/12/915850412.db2.gz MFCTZPDTMHQBGM-ZIAGYGMSSA-N 1 0 396.272 3.827 20 30 GHEDRO COCCCOc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000305225864 916012720 /nfs/dbraw/zinc/01/27/20/916012720.db2.gz YOVPQBWASVUZRS-UHFFFAOYSA-N 1 0 397.397 3.927 20 30 GHEDRO N#Cc1ccc(-c2ccc(C(=O)N3CCCc4ccc(C[NH3+])nc43)cc2)cc1F ZINC001188711381 916141667 /nfs/dbraw/zinc/14/16/67/916141667.db2.gz GKMMEHRVGWBNND-UHFFFAOYSA-N 1 0 386.430 3.811 20 30 GHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)C1 ZINC000293449383 916208055 /nfs/dbraw/zinc/20/80/55/916208055.db2.gz VTIPMZWLKCJQAI-JOCHJYFZSA-N 1 0 376.460 3.910 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000098172955 916316746 /nfs/dbraw/zinc/31/67/46/916316746.db2.gz PKHMAMFOXOLMAL-UHFFFAOYSA-N 1 0 376.504 3.843 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(N2CCCC2)n1 ZINC000305827774 916459880 /nfs/dbraw/zinc/45/98/80/916459880.db2.gz RRRVFVJJFYVOHG-UHFFFAOYSA-N 1 0 393.413 3.816 20 30 GHEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cncc(N3CC[NH+](C)CC3)c2)c1 ZINC001189255827 916500982 /nfs/dbraw/zinc/50/09/82/916500982.db2.gz ZXGHOIOVKKLPDY-UHFFFAOYSA-N 1 0 393.535 3.923 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2F)CC1 ZINC000294515860 916841464 /nfs/dbraw/zinc/84/14/64/916841464.db2.gz HWSXCBIXLARWQR-QFIPXVFZSA-N 1 0 384.499 3.769 20 30 GHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c(-c2ccccc2)n1 ZINC000294932610 917057800 /nfs/dbraw/zinc/05/78/00/917057800.db2.gz GIUONBASWSBUKQ-FGZHOGPDSA-N 1 0 387.487 3.869 20 30 GHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)c1cccc(C#N)c1F)CC2 ZINC001190536577 917395191 /nfs/dbraw/zinc/39/51/91/917395191.db2.gz SXDBZGLTQXDQEL-UHFFFAOYSA-N 1 0 392.478 3.609 20 30 GHEDRO C#CC[C@H]([NH2+]CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)c1ccccc1 ZINC000775399062 917437457 /nfs/dbraw/zinc/43/74/57/917437457.db2.gz FPKYTJGLXFIKOB-FQEVSTJZSA-N 1 0 376.435 3.613 20 30 GHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796457181 917476719 /nfs/dbraw/zinc/47/67/19/917476719.db2.gz FLKCOGQBPZXYIH-HXUWFJFHSA-N 1 0 393.487 3.705 20 30 GHEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000775404846 917512424 /nfs/dbraw/zinc/51/24/24/917512424.db2.gz PULWYJQAWXYKDK-YADHBBJMSA-N 1 0 392.499 3.722 20 30 GHEDRO N#CCn1c(=O)c2ccccc2nc1CN1CCC(c2cccc(Cl)c2)CC1 ZINC000796537328 918116849 /nfs/dbraw/zinc/11/68/49/918116849.db2.gz YUHPXTAIKKEISV-UHFFFAOYSA-N 1 0 392.890 3.953 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OC3CCC(C)CC3)CC2)CC1 ZINC000363395888 918206883 /nfs/dbraw/zinc/20/68/83/918206883.db2.gz QOYVGKPTCMQIQP-UHFFFAOYSA-N 1 0 377.573 3.796 20 30 GHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1c(F)cc(C#N)cc1F ZINC001191927559 918302996 /nfs/dbraw/zinc/30/29/96/918302996.db2.gz FDHIUWAGLUDYQN-YWZLYKJASA-N 1 0 383.442 3.819 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000114689031 919409540 /nfs/dbraw/zinc/40/95/40/919409540.db2.gz QJWFIJLMURCRAK-QFIPXVFZSA-N 1 0 389.499 3.838 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1C#N ZINC000115418117 919452933 /nfs/dbraw/zinc/45/29/33/919452933.db2.gz TTZJZNUXDRJQHP-UHFFFAOYSA-N 1 0 398.507 3.683 20 30 GHEDRO CCN(C(C)=O)c1nc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cs1 ZINC000115617883 919461704 /nfs/dbraw/zinc/46/17/04/919461704.db2.gz PTCKXOGQUGVWKB-UHFFFAOYSA-N 1 0 398.532 3.867 20 30 GHEDRO COCC[N@H+](C)[C@H](CNC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001202797975 919584425 /nfs/dbraw/zinc/58/44/25/919584425.db2.gz DHJRKQHWUSKIMU-LJQANCHMSA-N 1 0 386.883 3.653 20 30 GHEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000282425754 919601579 /nfs/dbraw/zinc/60/15/79/919601579.db2.gz YFWNRRMUCMXQBG-FUHWJXTLSA-N 1 0 398.942 3.633 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000800289855 919848898 /nfs/dbraw/zinc/84/88/98/919848898.db2.gz PMGXEGZHNRGGNF-IBGZPJMESA-N 1 0 388.309 3.622 20 30 GHEDRO C#CCCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000364723378 919906152 /nfs/dbraw/zinc/90/61/52/919906152.db2.gz NQUINVQQTJZGLK-JOCHJYFZSA-N 1 0 380.532 3.703 20 30 GHEDRO CC(C)[NH+]1CCN(CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000900572696 920411684 /nfs/dbraw/zinc/41/16/84/920411684.db2.gz GZXGMZITDPLYKC-UHFFFAOYSA-N 1 0 392.503 3.705 20 30 GHEDRO Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)ccc1Br ZINC001275977751 920634914 /nfs/dbraw/zinc/63/49/14/920634914.db2.gz PVZGIVZUEOJSMY-QZTJIDSGSA-N 1 0 390.325 3.627 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1ccccc1O2 ZINC000298642393 920754309 /nfs/dbraw/zinc/75/43/09/920754309.db2.gz LLVXAQFZIKUIOC-RQWLHQTBSA-N 1 0 387.483 3.676 20 30 GHEDRO C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000802714208 922353852 /nfs/dbraw/zinc/35/38/52/922353852.db2.gz HNIHOSNNUJUFQL-MSOLQXFVSA-N 1 0 394.519 3.619 20 30 GHEDRO N#CC1(NC(=O)c2ccccc2OC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000367993803 922414513 /nfs/dbraw/zinc/41/45/13/922414513.db2.gz MXCQFTRIZZSEQB-UHFFFAOYSA-N 1 0 375.472 3.516 20 30 GHEDRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CC2 ZINC000368187365 922523266 /nfs/dbraw/zinc/52/32/66/922523266.db2.gz FRXKNVJRZDSQPX-UHFFFAOYSA-N 1 0 389.499 3.838 20 30 GHEDRO COC(=O)c1ccccc1CC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000368289961 922576081 /nfs/dbraw/zinc/57/60/81/922576081.db2.gz MPDYMQYFGLSYNC-UHFFFAOYSA-N 1 0 384.520 3.828 20 30 GHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368532497 922732926 /nfs/dbraw/zinc/73/29/26/922732926.db2.gz YZZUJJTZNPIRPQ-QHCPKHFHSA-N 1 0 376.504 3.612 20 30 GHEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903115873 922786071 /nfs/dbraw/zinc/78/60/71/922786071.db2.gz IUDSFMWCMNJFCY-ZDUSSCGKSA-N 1 0 398.406 3.733 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(OCC#N)cc1 ZINC000369985216 923783161 /nfs/dbraw/zinc/78/31/61/923783161.db2.gz NRZOZGZLQJMYBK-BEFAXECRSA-N 1 0 391.450 3.652 20 30 GHEDRO C=CCOc1ccc(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1Cl ZINC000678296129 924712402 /nfs/dbraw/zinc/71/24/02/924712402.db2.gz PJYBUCVASXCIKO-UHFFFAOYSA-N 1 0 391.987 3.895 20 30 GHEDRO C=CCOCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000679486478 925157030 /nfs/dbraw/zinc/15/70/30/925157030.db2.gz NSEQNTYUWMRILP-UHFFFAOYSA-N 1 0 377.282 3.715 20 30 GHEDRO C=CCOCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000679503995 925162718 /nfs/dbraw/zinc/16/27/18/925162718.db2.gz NNOSZOOMAOMPCE-WMZOPIPTSA-N 1 0 399.457 3.590 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(O)ccc3Br)CC2)C1=O ZINC001276088522 925472074 /nfs/dbraw/zinc/47/20/74/925472074.db2.gz FZGBJBOSJPBKSI-IBGZPJMESA-N 1 0 393.325 3.545 20 30 GHEDRO C#C[C@H](NCc1csc(COc2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000827571245 925823238 /nfs/dbraw/zinc/82/32/38/925823238.db2.gz XSHSTTQUGPMNGI-SFHVURJKSA-N 1 0 376.909 3.894 20 30 GHEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c(OCC=C)c(OC)c1)C1CCOCC1 ZINC000827574952 925823659 /nfs/dbraw/zinc/82/36/59/925823659.db2.gz KDFFRVKWFYDBQL-QGZVFWFLSA-N 1 0 394.309 3.541 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1)C(C)C ZINC000373371703 926059664 /nfs/dbraw/zinc/05/96/64/926059664.db2.gz ANQCJQPGLTUCEV-JTHBVZDNSA-N 1 0 383.536 3.984 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@]2(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000827911868 926257356 /nfs/dbraw/zinc/25/73/56/926257356.db2.gz PCNZMNDENRSIDK-FQEVSTJZSA-N 1 0 378.438 3.888 20 30 GHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4ccccc4C#N)C3)nc2c1 ZINC000411411732 926371632 /nfs/dbraw/zinc/37/16/32/926371632.db2.gz GXPHFPFIBXLYSG-GOSISDBHSA-N 1 0 387.487 3.951 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000411475243 926434215 /nfs/dbraw/zinc/43/42/15/926434215.db2.gz NNGXVGQFEJKQNM-SFHVURJKSA-N 1 0 375.831 3.657 20 30 GHEDRO CC[N@H+](Cc1ccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)cc1)C(C)C ZINC000726054440 926541144 /nfs/dbraw/zinc/54/11/44/926541144.db2.gz OCXXZFBCVPDQRV-UHFFFAOYSA-N 1 0 397.475 3.794 20 30 GHEDRO N#Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000726469093 926687370 /nfs/dbraw/zinc/68/73/70/926687370.db2.gz MIGDXELCSAYONA-UHFFFAOYSA-N 1 0 385.924 3.558 20 30 GHEDRO N#CC1(CCN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000411724052 926692655 /nfs/dbraw/zinc/69/26/55/926692655.db2.gz XQRLYZQOUWJDNA-QHCPKHFHSA-N 1 0 380.580 3.743 20 30 GHEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411731575 926708412 /nfs/dbraw/zinc/70/84/12/926708412.db2.gz QYDJKHUCLSODMS-STZQEDGTSA-N 1 0 377.488 3.828 20 30 GHEDRO CCC[N@H+](CC1CCCCC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000726587213 926744812 /nfs/dbraw/zinc/74/48/12/926744812.db2.gz MPWZRXOIBMGHEA-UHFFFAOYSA-N 1 0 382.508 3.572 20 30 GHEDRO CCC[N@@H+](Cc1ccc(C)cc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000726586892 926745900 /nfs/dbraw/zinc/74/59/00/926745900.db2.gz QDRHQTOLRJWYJN-UHFFFAOYSA-N 1 0 390.487 3.501 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@H+]2Cc2c[nH]c3cc(Br)ccc23)C1=O ZINC001276185259 926917110 /nfs/dbraw/zinc/91/71/10/926917110.db2.gz FPXPUCVYFRONNY-LJQANCHMSA-N 1 0 388.309 3.683 20 30 GHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000412338206 927349622 /nfs/dbraw/zinc/34/96/22/927349622.db2.gz MYEALOGCLHQKBS-YTFSRNRJSA-N 1 0 391.515 3.868 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@@H]3CCCC[C@H]3C2)c1=S ZINC000749975297 927380222 /nfs/dbraw/zinc/38/02/22/927380222.db2.gz HFCLFFNBGMRCQQ-OALUTQOASA-N 1 0 389.613 3.708 20 30 GHEDRO CSc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000412371007 927386282 /nfs/dbraw/zinc/38/62/82/927386282.db2.gz RNOVIBAYULLLRT-HBMCJLEFSA-N 1 0 379.529 3.803 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000750282229 927533533 /nfs/dbraw/zinc/53/35/33/927533533.db2.gz DINYSWDYGMXSEC-IBGZPJMESA-N 1 0 387.524 3.906 20 30 GHEDRO COc1ccc([C@@H](C)CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000374877546 927642961 /nfs/dbraw/zinc/64/29/61/927642961.db2.gz FGABPXOJXQJDGO-IBGZPJMESA-N 1 0 391.515 3.863 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000374900987 927675467 /nfs/dbraw/zinc/67/54/67/927675467.db2.gz VVTOYJFQKFRAJN-MOPGFXCFSA-N 1 0 395.453 3.743 20 30 GHEDRO COC1CC[NH+](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 ZINC000750991250 927969131 /nfs/dbraw/zinc/96/91/31/927969131.db2.gz SDEACWXDPDDFQJ-JOCHJYFZSA-N 1 0 392.503 3.574 20 30 GHEDRO COc1ccc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1C#N ZINC000751503977 928225744 /nfs/dbraw/zinc/22/57/44/928225744.db2.gz DPKDLMDURWZFHM-QGZVFWFLSA-N 1 0 384.785 3.760 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1)C1CC1 ZINC000466940328 928524506 /nfs/dbraw/zinc/52/45/06/928524506.db2.gz OJMCDCRCTQEHNE-AOMKIAJQSA-N 1 0 381.545 3.964 20 30 GHEDRO C=CCOc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000467025133 928605745 /nfs/dbraw/zinc/60/57/45/928605745.db2.gz RJRKFVLXGNGCDP-FXAWDEMLSA-N 1 0 380.488 3.653 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000467507332 929140239 /nfs/dbraw/zinc/14/02/39/929140239.db2.gz BWPUEEBWNRGXHX-IBGZPJMESA-N 1 0 379.504 3.819 20 30 GHEDRO C#C[C@H](CC)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000753248939 929269349 /nfs/dbraw/zinc/26/93/49/929269349.db2.gz UHANSWGLZCWJOH-NXHRZFHOSA-N 1 0 381.442 3.799 20 30 GHEDRO C[C@H](CCNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@H+](C)Cc1ccccc1 ZINC000469216115 929700592 /nfs/dbraw/zinc/70/05/92/929700592.db2.gz CSPAOQDQESJSKC-QGZVFWFLSA-N 1 0 388.471 3.854 20 30 GHEDRO C#CC[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000757608511 929743529 /nfs/dbraw/zinc/74/35/29/929743529.db2.gz ZXCAIUFFXNIUAA-GOTSBHOMSA-N 1 0 391.515 3.896 20 30 GHEDRO C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000546296133 930030021 /nfs/dbraw/zinc/03/00/21/930030021.db2.gz NYZAGHHRUFFIKO-HNNXBMFYSA-N 1 0 378.432 3.689 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)CC1 ZINC000758474586 930056940 /nfs/dbraw/zinc/05/69/40/930056940.db2.gz XXTZEBDXOIFECL-JOCHJYFZSA-N 1 0 384.568 3.646 20 30 GHEDRO CC1(C(=O)Nc2ccc(F)cc2OCC#N)CC[NH+](Cc2ccccc2)CC1 ZINC000758681193 930129213 /nfs/dbraw/zinc/12/92/13/930129213.db2.gz WLEVHDHBOGLTSD-UHFFFAOYSA-N 1 0 381.451 3.969 20 30 GHEDRO C#CCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc2c(c1)CCCC2 ZINC000759054320 930258644 /nfs/dbraw/zinc/25/86/44/930258644.db2.gz KOMASSPISVLDFE-UHFFFAOYSA-O 1 0 383.562 3.965 20 30 GHEDRO COc1cc(F)cc([N-][NH+]=Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000759209743 930310592 /nfs/dbraw/zinc/31/05/92/930310592.db2.gz IRSXBLOOSVLPBM-UHFFFAOYSA-N 1 0 376.863 3.686 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470030270 930328926 /nfs/dbraw/zinc/32/89/26/930328926.db2.gz QSFGSNJVQGDQQK-IBGZPJMESA-N 1 0 389.421 3.659 20 30 GHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000470225503 930466658 /nfs/dbraw/zinc/46/66/58/930466658.db2.gz AXTQKHACNFMDGT-GOSISDBHSA-N 1 0 393.487 3.534 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2noc(CSc3ccc(C#N)cc3)n2)cc1 ZINC000546994743 930595775 /nfs/dbraw/zinc/59/57/75/930595775.db2.gz VUGTWWKZVXQAGZ-UHFFFAOYSA-N 1 0 380.473 3.841 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cnc2ccccc2c1 ZINC000470827514 930947397 /nfs/dbraw/zinc/94/73/97/930947397.db2.gz OMMBCTAWPVUBTO-UHFFFAOYSA-N 1 0 386.499 3.629 20 30 GHEDRO C[C@@H](CC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000470874884 930989140 /nfs/dbraw/zinc/98/91/40/930989140.db2.gz XQGUQFHTOYGUCU-SCLBCKFNSA-N 1 0 375.394 3.887 20 30 GHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1SC(C)C ZINC000782967788 931377586 /nfs/dbraw/zinc/37/75/86/931377586.db2.gz AQDBZVLJEXNRAQ-UHFFFAOYSA-N 1 0 392.384 3.640 20 30 GHEDRO C=C[C@@](C)(CCOC)C(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000783091097 931409266 /nfs/dbraw/zinc/40/92/66/931409266.db2.gz DVXXNZHULVAVDO-IERDGZPVSA-N 1 0 381.463 3.949 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000783299192 931514442 /nfs/dbraw/zinc/51/44/42/931514442.db2.gz AEPDTMXMHQVLNW-SFTDATJTSA-N 1 0 392.503 3.836 20 30 GHEDRO N#Cc1ccc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000557656873 931595701 /nfs/dbraw/zinc/59/57/01/931595701.db2.gz PHIUXGBGEJONPW-SFHVURJKSA-N 1 0 388.924 3.909 20 30 GHEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000783998681 931749366 /nfs/dbraw/zinc/74/93/66/931749366.db2.gz BEZDYPOOCHISMH-QGZVFWFLSA-N 1 0 387.549 3.789 20 30 GHEDRO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000784329877 931858249 /nfs/dbraw/zinc/85/82/49/931858249.db2.gz ZTQXJWXNRLYSLQ-LEMNTIDISA-N 1 0 385.511 3.988 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000784413662 931885984 /nfs/dbraw/zinc/88/59/84/931885984.db2.gz CAGPGBBYGBVBEW-UHFFFAOYSA-N 1 0 394.437 3.512 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000784481864 931909828 /nfs/dbraw/zinc/90/98/28/931909828.db2.gz DIILHWFEDRDFAC-HKUYNNGSSA-N 1 0 390.405 3.806 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(C#N)cc3)C[C@H]21 ZINC000784498681 931914733 /nfs/dbraw/zinc/91/47/33/931914733.db2.gz PTWKEFBETYXYAM-DFQSSKMNSA-N 1 0 385.508 3.562 20 30 GHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](O)c1c(F)cccc1F ZINC000796816718 932078098 /nfs/dbraw/zinc/07/80/98/932078098.db2.gz CRWRXIXSRXRFOY-UNMCSNQZSA-N 1 0 385.458 3.907 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](CCO)c1ccco1 ZINC000926195792 932078662 /nfs/dbraw/zinc/07/86/62/932078662.db2.gz FXDJYRVFCLCFTO-IRXDYDNUSA-N 1 0 391.512 3.612 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](CO)c1ccsc1 ZINC000926196900 932079568 /nfs/dbraw/zinc/07/95/68/932079568.db2.gz AZFDKULPFFYSJP-WBVHZDCISA-N 1 0 393.553 3.691 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926344458 932140084 /nfs/dbraw/zinc/14/00/84/932140084.db2.gz WRKQDWNFJMDALN-QRVBRYPASA-N 1 0 391.556 3.877 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000797008475 932142903 /nfs/dbraw/zinc/14/29/03/932142903.db2.gz VJYANUDXHIPHEY-NSISKUIASA-N 1 0 390.524 3.659 20 30 GHEDRO COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC000797114146 932188335 /nfs/dbraw/zinc/18/83/35/932188335.db2.gz OXRRXBZSGYFZNE-BTYIYWSLSA-N 1 0 391.487 3.764 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC(C)(C)C(C)(C)O ZINC000926547361 932224656 /nfs/dbraw/zinc/22/46/56/932224656.db2.gz DBDWWYWLFBDPOK-MRXNPFEDSA-N 1 0 381.561 3.693 20 30 GHEDRO COC1([C@@H](C)[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000926590976 932239195 /nfs/dbraw/zinc/23/91/95/932239195.db2.gz ASZCWRGJLLKTNI-DLBZAZTESA-N 1 0 379.545 3.853 20 30 GHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000797419631 932277096 /nfs/dbraw/zinc/27/70/96/932277096.db2.gz DGDLVVUXORNGKW-SFHVURJKSA-N 1 0 380.488 3.614 20 30 GHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000558981074 932354136 /nfs/dbraw/zinc/35/41/36/932354136.db2.gz UWQSLBBPFBVGSE-UHFFFAOYSA-N 1 0 399.514 3.637 20 30 GHEDRO C=C(C)Cn1c(CC2CC2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558984781 932355302 /nfs/dbraw/zinc/35/53/02/932355302.db2.gz FRZPCAHFMVDIEU-OAQYLSRUSA-N 1 0 379.552 3.765 20 30 GHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798483319 932667340 /nfs/dbraw/zinc/66/73/40/932667340.db2.gz BGRRVPGHFRWLHI-HSZRJFAPSA-N 1 0 381.520 3.932 20 30 GHEDRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000777668207 932787275 /nfs/dbraw/zinc/78/72/75/932787275.db2.gz NVWCUFAXEMVSQH-UHFFFAOYSA-N 1 0 399.878 3.502 20 30 GHEDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000559835725 932894593 /nfs/dbraw/zinc/89/45/93/932894593.db2.gz MXXHSFVJLZHWRK-HFSMHLIXSA-N 1 0 397.519 3.545 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)C1CCCC1 ZINC000799169089 932896268 /nfs/dbraw/zinc/89/62/68/932896268.db2.gz YCMILRPTJRBJHX-GOSISDBHSA-N 1 0 379.545 3.760 20 30 GHEDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000559953228 932979758 /nfs/dbraw/zinc/97/97/58/932979758.db2.gz XGKDILUHFKGBOL-LBPRGKRZSA-N 1 0 382.407 3.831 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)CC1 ZINC000928661464 933055142 /nfs/dbraw/zinc/05/51/42/933055142.db2.gz XFWVRAKSEMXPJI-UHFFFAOYSA-N 1 0 391.899 3.514 20 30 GHEDRO N#Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1F ZINC000560580584 933360432 /nfs/dbraw/zinc/36/04/32/933360432.db2.gz YUJMYGBWIFWHKG-DENIHFKCSA-N 1 0 377.463 3.824 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H](C#N)CCc3ccccc3)cc2)CC1 ZINC000560820389 933585980 /nfs/dbraw/zinc/58/59/80/933585980.db2.gz BAOBIEICDYAVFK-NRFANRHFSA-N 1 0 391.515 3.548 20 30 GHEDRO N#CCCc1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1 ZINC000929890995 933693483 /nfs/dbraw/zinc/69/34/83/933693483.db2.gz LBVAZWOSPBYWQF-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C#Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001117887167 934059321 /nfs/dbraw/zinc/05/93/21/934059321.db2.gz BRPFBVQYLNSJHV-QHCPKHFHSA-N 1 0 387.527 3.826 20 30 GHEDRO N#CCOc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001118858428 934268932 /nfs/dbraw/zinc/26/89/32/934268932.db2.gz INBYNNISXAXYAG-OAQYLSRUSA-N 1 0 375.472 3.830 20 30 GHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)cc2)cs1 ZINC001120559438 934472959 /nfs/dbraw/zinc/47/29/59/934472959.db2.gz SNDYRXYWOWQREV-HXUWFJFHSA-N 1 0 393.512 3.562 20 30 GHEDRO C=CCn1c(C2SCCCS2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001121473577 934667061 /nfs/dbraw/zinc/66/70/61/934667061.db2.gz JEKDZUMQHGPGAJ-HNNXBMFYSA-N 1 0 393.626 3.643 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001121501574 934676274 /nfs/dbraw/zinc/67/62/74/934676274.db2.gz BLNYYXFOPXIJGD-MOPGFXCFSA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c(N2CCC(C)([NH+]3CCCCC3)CC2)nnc1[C@]12CCC=C1OCC2 ZINC001121607574 934713630 /nfs/dbraw/zinc/71/36/30/934713630.db2.gz OQLSFVYSVFRIHH-QHCPKHFHSA-N 1 0 397.567 3.645 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCC3)CC2)nnc1C1(C#N)CCCCC1 ZINC001121622043 934717886 /nfs/dbraw/zinc/71/78/86/934717886.db2.gz HSFCUMUHDGRFFG-UHFFFAOYSA-N 1 0 382.556 3.644 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)Cc1cccc(C)c1 ZINC001121628656 934719262 /nfs/dbraw/zinc/71/92/62/934719262.db2.gz GVRXAOJJKHSVSS-NRFANRHFSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCn1c(-c2cncc3ccccc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001121651265 934726666 /nfs/dbraw/zinc/72/66/66/934726666.db2.gz NMRRHTDDYWGQAW-GOSISDBHSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001121671390 934733961 /nfs/dbraw/zinc/73/39/61/934733961.db2.gz RTMMKAIEJDOHSC-AYWYSENESA-N 1 0 390.535 3.753 20 30 GHEDRO C=CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121680052 934736280 /nfs/dbraw/zinc/73/62/80/934736280.db2.gz SBLOYJSBAPGOIK-UHFFFAOYSA-N 1 0 390.535 3.652 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000931919831 934765528 /nfs/dbraw/zinc/76/55/28/934765528.db2.gz UFANRNGAOVWBOL-KRWDZBQOSA-N 1 0 378.373 3.825 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)nc1 ZINC000932111993 934825699 /nfs/dbraw/zinc/82/56/99/934825699.db2.gz VFTAFTDRLJWKPP-UHFFFAOYSA-N 1 0 375.476 3.572 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1 ZINC000562361553 934837302 /nfs/dbraw/zinc/83/73/02/934837302.db2.gz JYAIBQFXVYSXIA-UHFFFAOYSA-N 1 0 379.467 3.814 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001122374765 934858496 /nfs/dbraw/zinc/85/84/96/934858496.db2.gz ZQJFSMQZVBCEHI-IBGZPJMESA-N 1 0 389.588 3.779 20 30 GHEDRO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)CCC(C)C ZINC001122466629 934876798 /nfs/dbraw/zinc/87/67/98/934876798.db2.gz RGBMBQPPBOWPAK-LJQANCHMSA-N 1 0 375.561 3.652 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)CC(C)(C)C ZINC001122466894 934876850 /nfs/dbraw/zinc/87/68/50/934876850.db2.gz VETOSNRULJIRTC-SFHVURJKSA-N 1 0 375.561 3.652 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3ncccc3c2)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001122484713 934880766 /nfs/dbraw/zinc/88/07/66/934880766.db2.gz BOTSFSJOQNACSB-CTNGQTDRSA-N 1 0 388.519 3.600 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1ccncc1C#N ZINC000828837747 935724380 /nfs/dbraw/zinc/72/43/80/935724380.db2.gz KBFQRMSBPHAEKP-KRWDZBQOSA-N 1 0 379.460 3.563 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001137763434 935777392 /nfs/dbraw/zinc/77/73/92/935777392.db2.gz PQVPFVZJOKLTAY-QHCPKHFHSA-N 1 0 392.503 3.754 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000829517956 935821244 /nfs/dbraw/zinc/82/12/44/935821244.db2.gz ULGFQDRERWNEKX-HSZRJFAPSA-N 1 0 377.463 3.826 20 30 GHEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000829806024 935866083 /nfs/dbraw/zinc/86/60/83/935866083.db2.gz ZGHHVRKLUMTICZ-MRXNPFEDSA-N 1 0 381.501 3.674 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cc3ccccc3nc2Cl)CC1 ZINC001137979510 935904768 /nfs/dbraw/zinc/90/47/68/935904768.db2.gz KDRIWTHRSVCFAT-UHFFFAOYSA-N 1 0 384.955 3.680 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000830401180 935940782 /nfs/dbraw/zinc/94/07/82/935940782.db2.gz GPWVLOXXAYNHEE-SIKLNZKXSA-N 1 0 377.463 3.824 20 30 GHEDRO C=CCC(C)(C)C(=O)Nc1cc2cccc3c2c(c1)C(=O)N(CC[NH+](C)C)C3=O ZINC001144073312 1014959268 /nfs/dbraw/zinc/95/92/68/1014959268.db2.gz UJYMVLMBDNSVGN-UHFFFAOYSA-N 1 0 393.487 3.538 20 30 GHEDRO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cccc(C#N)c1 ZINC001220768810 1032108966 /nfs/dbraw/zinc/10/89/66/1032108966.db2.gz BQZJNOSUMIYHCM-UNMCSNQZSA-N 1 0 388.515 3.827 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](c2ccsc2)C1)C(C)C ZINC000468040047 1015179753 /nfs/dbraw/zinc/17/97/53/1015179753.db2.gz SBAXMXXIVLNKLL-RTBURBONSA-N 1 0 377.554 3.530 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000468259588 1015516103 /nfs/dbraw/zinc/51/61/03/1015516103.db2.gz KPRIPOIYNHYLNB-IAGOWNOFSA-N 1 0 380.492 3.701 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000468913908 1016209708 /nfs/dbraw/zinc/20/97/08/1016209708.db2.gz IXYWXGOVFDITFR-VFNWGFHPSA-N 1 0 393.462 3.942 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000545693647 1016250727 /nfs/dbraw/zinc/25/07/27/1016250727.db2.gz CTAAASCRDXNKJU-OAHLLOKOSA-N 1 0 378.432 3.689 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470722518 1016874619 /nfs/dbraw/zinc/87/46/19/1016874619.db2.gz KGQOCJQVQUIXPL-XMMPIXPASA-N 1 0 385.511 3.827 20 30 GHEDRO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470781080 1016886007 /nfs/dbraw/zinc/88/60/07/1016886007.db2.gz JLBJZCLZSDEOFZ-JWQCQUIFSA-N 1 0 385.511 3.626 20 30 GHEDRO N#Cc1ccc2[nH]c(C(=O)NCC3(Cc4ccc(F)cc4)CC[NH2+]CC3)cc2c1 ZINC001220982900 1032222237 /nfs/dbraw/zinc/22/22/37/1032222237.db2.gz QMOVOORNOLNKET-UHFFFAOYSA-N 1 0 390.462 3.521 20 30 GHEDRO C=CC[C@@H](NC(=O)[C@@H](c1ccc(C)cc1)N1CCC[NH2+]CC1)c1ccccc1 ZINC001221360878 1032386558 /nfs/dbraw/zinc/38/65/58/1032386558.db2.gz OQXJAHUHAOCJQU-DHIUTWEWSA-N 1 0 377.532 3.765 20 30 GHEDRO N#Cc1cccc(-c2cc(C(F)(F)NC[C@@H]3C[C@H](F)C[NH2+]3)cnc2Cl)c1 ZINC001155039696 1032391172 /nfs/dbraw/zinc/39/11/72/1032391172.db2.gz WZVPOGVADUVKBH-GJZGRUSLSA-N 1 0 380.801 3.613 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1 ZINC001221675612 1032505235 /nfs/dbraw/zinc/50/52/35/1032505235.db2.gz DIMVZAIHCCUCKC-QZTJIDSGSA-N 1 0 388.531 3.636 20 30 GHEDRO Cc1nc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C#N)c(C)c1Cl ZINC001227826950 1032636264 /nfs/dbraw/zinc/63/62/64/1032636264.db2.gz UTTOVLFHFJKBHY-GOSISDBHSA-N 1 0 385.895 3.893 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001227880367 1032664308 /nfs/dbraw/zinc/66/43/08/1032664308.db2.gz IERXVWZYQPIYRW-KNQAVFIVSA-N 1 0 393.531 3.819 20 30 GHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001227880364 1032664456 /nfs/dbraw/zinc/66/44/56/1032664456.db2.gz IERXVWZYQPIYRW-DENIHFKCSA-N 1 0 393.531 3.819 20 30 GHEDRO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000558163629 1017129674 /nfs/dbraw/zinc/12/96/74/1017129674.db2.gz VXCQTBVPBMVXMK-HXUWFJFHSA-N 1 0 384.911 3.912 20 30 GHEDRO C[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000558740724 1017276407 /nfs/dbraw/zinc/27/64/07/1017276407.db2.gz CULSHMYNFSDNPH-CYBMUJFWSA-N 1 0 376.287 3.875 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)c(C)c1OC)C2 ZINC001204260514 1032702852 /nfs/dbraw/zinc/70/28/52/1032702852.db2.gz UISQFMWSDYNOIS-IFMALSPDSA-N 1 0 375.509 3.586 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928827758 1017569524 /nfs/dbraw/zinc/56/95/24/1017569524.db2.gz NAPLFTQGZLFCPX-SFHVURJKSA-N 1 0 378.501 3.899 20 30 GHEDRO CN1CC[C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccc(Cl)cc1 ZINC000562049548 1018018667 /nfs/dbraw/zinc/01/86/67/1018018667.db2.gz VARPICDCNMCQEA-UYAOXDASSA-N 1 0 393.878 3.797 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)cc1 ZINC001204300516 1032741706 /nfs/dbraw/zinc/74/17/06/1032741706.db2.gz OMFLJWGTNJRWID-XMMPIXPASA-N 1 0 391.515 3.804 20 30 GHEDRO Cc1nc2ccccc2n1CCCCC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562362376 1018124065 /nfs/dbraw/zinc/12/40/65/1018124065.db2.gz XJZRVARSHCPDTF-UHFFFAOYSA-N 1 0 388.519 3.604 20 30 GHEDRO CN(Cc1cc(C#N)cs1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000932420779 1018285570 /nfs/dbraw/zinc/28/55/70/1018285570.db2.gz HJNSYRGAJFSRML-IBGZPJMESA-N 1 0 395.532 3.568 20 30 GHEDRO N#CCCc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000932576423 1018479066 /nfs/dbraw/zinc/47/90/66/1018479066.db2.gz AACHHTCDKPJLEJ-OAQYLSRUSA-N 1 0 376.504 3.829 20 30 GHEDRO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932707476 1018598495 /nfs/dbraw/zinc/59/84/95/1018598495.db2.gz KDBYVOUPKXVNPB-ZWKOTPCHSA-N 1 0 379.545 3.570 20 30 GHEDRO Cc1c(C)n(-c2nc(C#N)ccc2NC(=O)C(C)(C)C)c2ccc(C[NH3+])cc12 ZINC001155902278 1032776873 /nfs/dbraw/zinc/77/68/73/1032776873.db2.gz NSOCOOCSGWSWHU-UHFFFAOYSA-N 1 0 375.476 3.957 20 30 GHEDRO FC1(F)[C@@H]2CN(CC[NH+]3CCCCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932947937 1018780062 /nfs/dbraw/zinc/78/00/62/1018780062.db2.gz IKIKDDSNQZWECR-GHMZBOCLSA-N 1 0 380.323 3.575 20 30 GHEDRO CCc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)o1 ZINC001204394034 1032819122 /nfs/dbraw/zinc/81/91/22/1032819122.db2.gz WUICMEOCWUHPKO-QHCPKHFHSA-N 1 0 379.504 3.833 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC001204413339 1032840005 /nfs/dbraw/zinc/84/00/05/1032840005.db2.gz IDEVQRDQYDOVMF-UHFFFAOYSA-N 1 0 384.398 3.806 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1C ZINC000570373935 1019596477 /nfs/dbraw/zinc/59/64/77/1019596477.db2.gz GQMNRTCDAMMIOH-GOSISDBHSA-N 1 0 381.524 3.539 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000572889888 1019811242 /nfs/dbraw/zinc/81/12/42/1019811242.db2.gz GBTVRDAHQXWRFB-IAGOWNOFSA-N 1 0 376.508 3.598 20 30 GHEDRO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1F ZINC001204429416 1032862767 /nfs/dbraw/zinc/86/27/67/1032862767.db2.gz SNKDWJYLFYVGAT-STQMWFEESA-N 1 0 375.284 3.813 20 30 GHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(F)cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000189715249 1020491030 /nfs/dbraw/zinc/49/10/30/1020491030.db2.gz HIQORGDUABMYJA-RTWAWAEBSA-N 1 0 394.450 3.805 20 30 GHEDRO N#CCCCN1CCC2(CC[NH+](Cc3c(Cl)ccc(F)c3F)CC2)C1=O ZINC001276464099 1032916807 /nfs/dbraw/zinc/91/68/07/1032916807.db2.gz OVTSJZSFXRDJRM-UHFFFAOYSA-N 1 0 381.854 3.736 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000192350534 1020865410 /nfs/dbraw/zinc/86/54/10/1020865410.db2.gz CTRJFLOOYVXKOO-YWZLYKJASA-N 1 0 381.451 3.834 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000192350540 1020865550 /nfs/dbraw/zinc/86/55/50/1020865550.db2.gz CTRJFLOOYVXKOO-QRWLVFNGSA-N 1 0 381.451 3.834 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(O)c1 ZINC000779707734 1020923403 /nfs/dbraw/zinc/92/34/03/1020923403.db2.gz QDCLYALJDLZBOY-QAEYNFOBSA-N 1 0 390.487 3.725 20 30 GHEDRO C=CCn1c(-c2scnc2C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634340311 1020947659 /nfs/dbraw/zinc/94/76/59/1020947659.db2.gz KANHVMGPODDCOV-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO CCCCCCCCCN(C)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000193803379 1020952245 /nfs/dbraw/zinc/95/22/45/1020952245.db2.gz IGYOXKBRZRKPCM-UHFFFAOYSA-N 1 0 375.542 3.825 20 30 GHEDRO COc1cc(OC)cc([C@H](O)C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000304748002 1021153688 /nfs/dbraw/zinc/15/36/88/1021153688.db2.gz GWRWPJVWRFRJNB-OAQYLSRUSA-N 1 0 383.492 3.691 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(Nc3ccc(C#N)cc3Br)c2)CC1 ZINC001204538256 1032957736 /nfs/dbraw/zinc/95/77/36/1032957736.db2.gz XHPSFWKECRHMNL-UHFFFAOYSA-N 1 0 385.309 3.812 20 30 GHEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140286207 1021316427 /nfs/dbraw/zinc/31/64/27/1021316427.db2.gz ABSMAVIZUBURKI-UHFFFAOYSA-N 1 0 391.515 3.563 20 30 GHEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)c1 ZINC001140287938 1021322887 /nfs/dbraw/zinc/32/28/87/1021322887.db2.gz KQVOYVKOZVAXIK-DEOSSOPVSA-N 1 0 391.515 3.563 20 30 GHEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3-c3cnc(N)nc3)C2)c1 ZINC001140325769 1021405957 /nfs/dbraw/zinc/40/59/57/1021405957.db2.gz UMHCFTCZRJEOBV-OAQYLSRUSA-N 1 0 385.471 3.641 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4c(O)cccc4Cl)C3)CC2=O)c1 ZINC001140344778 1021460068 /nfs/dbraw/zinc/46/00/68/1021460068.db2.gz MAQCZCBECVLIEK-OAQYLSRUSA-N 1 0 381.863 3.546 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001140352899 1021475624 /nfs/dbraw/zinc/47/56/24/1021475624.db2.gz QQWUZLBJBNRYRM-QHCPKHFHSA-N 1 0 376.504 3.677 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(-c3cncnc3)cc1)CCO2 ZINC001140355409 1021482892 /nfs/dbraw/zinc/48/28/92/1021482892.db2.gz TXYIHFHOHSTFAV-XZOQPEGZSA-N 1 0 379.504 3.717 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000834890964 1021633292 /nfs/dbraw/zinc/63/32/92/1021633292.db2.gz GOTJZHLAIHOJRF-IPELMVKDSA-N 1 0 375.513 3.799 20 30 GHEDRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(Nc2cnn(CC#N)c2)n1 ZINC000748307165 1021682491 /nfs/dbraw/zinc/68/24/91/1021682491.db2.gz KRBPYAZEAUPAHM-UHFFFAOYSA-N 1 0 389.488 3.884 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC3(Cc4cc(Br)ccc4O3)CC2)cn1 ZINC001140546780 1021946474 /nfs/dbraw/zinc/94/64/74/1021946474.db2.gz UWJWMQGAJGKUHE-UHFFFAOYSA-N 1 0 384.277 3.685 20 30 GHEDRO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)Cc1ccc(C#N)nc1 ZINC001140546335 1021946567 /nfs/dbraw/zinc/94/65/67/1021946567.db2.gz FBFHNBRQSWUCQR-CVAIRZPRSA-N 1 0 375.513 3.547 20 30 GHEDRO CCOC(=O)C1CC[NH+](Cc2cccc(Nc3cnc(C#N)c(F)c3)c2)CC1 ZINC001203059697 1022328931 /nfs/dbraw/zinc/32/89/31/1022328931.db2.gz FDMDPQWHRQOXAF-UHFFFAOYSA-N 1 0 382.439 3.611 20 30 GHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cc(Cl)ccc3N)CC2)cc1 ZINC001140719539 1022357728 /nfs/dbraw/zinc/35/77/28/1022357728.db2.gz RYEJGCMJOPIIFO-UHFFFAOYSA-N 1 0 383.883 3.580 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1Cl ZINC001140813999 1022611148 /nfs/dbraw/zinc/61/11/48/1022611148.db2.gz YUKYXOTXSGTVKL-FQEVSTJZSA-N 1 0 397.906 3.947 20 30 GHEDRO Cc1c[nH]c(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1C ZINC001140860756 1022722652 /nfs/dbraw/zinc/72/26/52/1022722652.db2.gz ZMLVGRQWRAIBKY-HSZRJFAPSA-N 1 0 378.520 3.622 20 30 GHEDRO Fc1ccc(CC[NH+]2CCC(N=Nc3ccc(C(F)(F)F)nn3)CC2)cc1 ZINC000754709789 1022849333 /nfs/dbraw/zinc/84/93/33/1022849333.db2.gz OLSDAZIWLACAOP-UHFFFAOYSA-N 1 0 381.377 3.741 20 30 GHEDRO C#C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(Br)cc1 ZINC000836519889 1023068225 /nfs/dbraw/zinc/06/82/25/1023068225.db2.gz OOAUHEMXSSFKSY-CRAIPNDOSA-N 1 0 392.341 3.543 20 30 GHEDRO C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755882298 1023418896 /nfs/dbraw/zinc/41/88/96/1023418896.db2.gz SEWOXQDKPDXQMC-GHTZIAJQSA-N 1 0 378.472 3.585 20 30 GHEDRO C[C@]1(c2ccccc2)CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000756024599 1023482810 /nfs/dbraw/zinc/48/28/10/1023482810.db2.gz STTJOYAPEFYDQK-DVECYGJZSA-N 1 0 382.467 3.887 20 30 GHEDRO N#Cc1c(N)sc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1Cl ZINC001141112609 1023528634 /nfs/dbraw/zinc/52/86/34/1023528634.db2.gz GOTIAUWDCWPOCS-HOTGVXAUSA-N 1 0 386.952 3.809 20 30 GHEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112935 1023529751 /nfs/dbraw/zinc/52/97/51/1023529751.db2.gz PZZSDHJUJFECTH-QWRGUYRKSA-N 1 0 384.933 3.590 20 30 GHEDRO C#CC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000757019177 1023909423 /nfs/dbraw/zinc/90/94/23/1023909423.db2.gz HOTLHWUFEZZDGT-JTHBVZDNSA-N 1 0 375.516 3.615 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001156672839 1033174714 /nfs/dbraw/zinc/17/47/14/1033174714.db2.gz ZATPWKDSCNWLFM-UHFFFAOYSA-N 1 0 387.524 3.517 20 30 GHEDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141291137 1024419789 /nfs/dbraw/zinc/41/97/89/1024419789.db2.gz CDGVHDQOYOREOU-HSZRJFAPSA-N 1 0 375.472 3.937 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@]4(CCCC(=O)N4)C3)cc2)cc1 ZINC001141291037 1024420022 /nfs/dbraw/zinc/42/00/22/1024420022.db2.gz BMFQZTIFFKLSNY-HSZRJFAPSA-N 1 0 375.472 3.985 20 30 GHEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](Oc4ncc(F)cn4)C3)cc2)cc1 ZINC001141298426 1024443897 /nfs/dbraw/zinc/44/38/97/1024443897.db2.gz QLZMTEHWDQWSRH-OAQYLSRUSA-N 1 0 390.418 3.933 20 30 GHEDRO C=CC[C@]1(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCN1C(=O)OC(C)(C)C ZINC001141298910 1024448559 /nfs/dbraw/zinc/44/85/59/1024448559.db2.gz NAXSJAJQRDNUKP-JOCHJYFZSA-N 1 0 393.572 3.758 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(C)cc2OCc2ccccc2)CC1 ZINC000837432979 1024453202 /nfs/dbraw/zinc/45/32/02/1024453202.db2.gz ZEVPBNMSTFSIGQ-UHFFFAOYSA-N 1 0 382.529 3.853 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(OCC[NH+](CC)CC)c2)C1 ZINC000831388819 1024535317 /nfs/dbraw/zinc/53/53/17/1024535317.db2.gz GIYFDDURJVTIDB-SFHVURJKSA-N 1 0 387.524 3.683 20 30 GHEDRO C#CCOc1ccc(C[N@H+](CCCC(=O)OC)Cc2ccccc2)cc1OC ZINC001138343112 1024704853 /nfs/dbraw/zinc/70/48/53/1024704853.db2.gz HBNOHJGZYRRCSW-UHFFFAOYSA-N 1 0 381.472 3.663 20 30 GHEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1OC ZINC001138346339 1024708367 /nfs/dbraw/zinc/70/83/67/1024708367.db2.gz AFAUVRBJKZJLQJ-FQEVSTJZSA-N 1 0 376.456 3.622 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)cc1OC ZINC001138349169 1024711728 /nfs/dbraw/zinc/71/17/28/1024711728.db2.gz TXMYRWNQLRZIOC-UHFFFAOYSA-N 1 0 389.499 3.974 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)ccc1OC)CC2 ZINC001138373399 1024737577 /nfs/dbraw/zinc/73/75/77/1024737577.db2.gz VREQEYPMGBWMHE-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(OC)c1 ZINC001138390479 1024767182 /nfs/dbraw/zinc/76/71/82/1024767182.db2.gz YNTYWGYLXYGUQC-UHFFFAOYSA-N 1 0 393.535 3.520 20 30 GHEDRO COCC[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000831857350 1024945117 /nfs/dbraw/zinc/94/51/17/1024945117.db2.gz KEETWWHRAJAZKB-RTBURBONSA-N 1 0 378.394 3.978 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-n3ccnc3C)cc1)C2 ZINC001138542587 1024985126 /nfs/dbraw/zinc/98/51/26/1024985126.db2.gz GCPFCBPWPCLUOZ-GOTSBHOMSA-N 1 0 381.520 3.754 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cncn1Cc1ccccc1)C2 ZINC001138562304 1025027573 /nfs/dbraw/zinc/02/75/73/1025027573.db2.gz NGBSKXPREAQRGL-XZOQPEGZSA-N 1 0 381.520 3.505 20 30 GHEDRO C=C(C)C(=O)NCCCNc1nc(C[NH+](CC)CC)nc2sc(C)c(C)c21 ZINC001156826453 1033260449 /nfs/dbraw/zinc/26/04/49/1033260449.db2.gz WPULPEHEZAVTQD-UHFFFAOYSA-N 1 0 389.569 3.644 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1O ZINC001138627210 1025127457 /nfs/dbraw/zinc/12/74/57/1025127457.db2.gz ZPFOQRAJILEHHT-DEOSSOPVSA-N 1 0 394.490 3.884 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c1O ZINC001138628056 1025128931 /nfs/dbraw/zinc/12/89/31/1025128931.db2.gz RZMWDLFHRVSBCY-ZCYQVOJMSA-N 1 0 390.527 3.885 20 30 GHEDRO C=CCc1cccc(C[N@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)c1O ZINC001138627526 1025129063 /nfs/dbraw/zinc/12/90/63/1025129063.db2.gz KYRXFJALFANPCD-VWNXMTODSA-N 1 0 394.515 3.774 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)c1O ZINC001138628723 1025129765 /nfs/dbraw/zinc/12/97/65/1025129765.db2.gz ZCWXSPYMJFFISO-OAQYLSRUSA-N 1 0 376.500 3.759 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c1O ZINC001138628684 1025130326 /nfs/dbraw/zinc/13/03/26/1025130326.db2.gz BVGDZGNRHXQTJC-UHFFFAOYSA-N 1 0 380.463 3.889 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1O ZINC001138631676 1025136308 /nfs/dbraw/zinc/13/63/08/1025136308.db2.gz YEEJWKFYLKGLCD-UHFFFAOYSA-N 1 0 376.298 3.917 20 30 GHEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc(Br)cc3n[nH]cc32)C1 ZINC001229069620 1033261299 /nfs/dbraw/zinc/26/12/99/1033261299.db2.gz LQGKGOGODQFBMG-INIZCTEOSA-N 1 0 397.276 3.850 20 30 GHEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC001138653041 1025167184 /nfs/dbraw/zinc/16/71/84/1025167184.db2.gz PLLJKSRNPUVSCP-OAQYLSRUSA-N 1 0 376.435 3.926 20 30 GHEDRO COc1cccc([C@H](CNc2nccc(Oc3cccc(C#N)c3)n2)[NH+](C)C)c1 ZINC001161923343 1025497962 /nfs/dbraw/zinc/49/79/62/1025497962.db2.gz AQFOEKSSUMUMFL-FQEVSTJZSA-N 1 0 389.459 3.864 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC001138878198 1025510649 /nfs/dbraw/zinc/51/06/49/1025510649.db2.gz BTUHDNQUDHNPRN-UNMCSNQZSA-N 1 0 385.483 3.790 20 30 GHEDRO COc1cccc(C2(NC(F)(F)c3nc(Cl)ccc3C#N)CC[NH2+]CC2)c1 ZINC001161995110 1025528164 /nfs/dbraw/zinc/52/81/64/1025528164.db2.gz GNNVELFZTXXCAR-UHFFFAOYSA-N 1 0 392.837 3.533 20 30 GHEDRO N#Cc1cc(Cl)nnc1N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001162056119 1025572219 /nfs/dbraw/zinc/57/22/19/1025572219.db2.gz UYRWMRKVACRWOI-UHFFFAOYSA-N 1 0 395.816 3.561 20 30 GHEDRO C[NH+]1CCC(C#N)(Nc2cc(-c3ccccc3)nc(-c3cccs3)n2)CC1 ZINC001162231685 1025681435 /nfs/dbraw/zinc/68/14/35/1025681435.db2.gz YMNIZUIMTKNMSB-UHFFFAOYSA-N 1 0 375.501 3.694 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1C#N ZINC000839186729 1025700353 /nfs/dbraw/zinc/70/03/53/1025700353.db2.gz OIDNTEQQFDIBNT-YTQUADARSA-N 1 0 385.508 3.692 20 30 GHEDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000839195081 1025714663 /nfs/dbraw/zinc/71/46/63/1025714663.db2.gz FTBHLWDMBNRNGT-DNVCBOLYSA-N 1 0 388.446 3.926 20 30 GHEDRO N#Cc1ccc(NCC[NH2+]Cc2cccc(OCc3ccccc3F)c2)nc1 ZINC001461032357 1069347509 /nfs/dbraw/zinc/34/75/09/1069347509.db2.gz WYWVRWRQVYYUHW-UHFFFAOYSA-N 1 0 376.435 3.873 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2C)CC1 ZINC001139031965 1025799883 /nfs/dbraw/zinc/79/98/83/1025799883.db2.gz FGPYJEYCPMAINT-NRFANRHFSA-N 1 0 391.515 3.627 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2C(=O)N(c3ccsc3)CCO[C@H]2C1 ZINC001139032017 1025800697 /nfs/dbraw/zinc/80/06/97/1025800697.db2.gz HDYDWDJXZTYBQN-CTNGQTDRSA-N 1 0 398.528 3.567 20 30 GHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001139032953 1025806546 /nfs/dbraw/zinc/80/65/46/1025806546.db2.gz XIKOEKZXDPCJKY-OAQYLSRUSA-N 1 0 376.500 3.890 20 30 GHEDRO COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001141604646 1025846986 /nfs/dbraw/zinc/84/69/86/1025846986.db2.gz IFQFWXWWUWZNGS-KGLIPLIRSA-N 1 0 389.311 3.941 20 30 GHEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1 ZINC001139059536 1025850487 /nfs/dbraw/zinc/85/04/87/1025850487.db2.gz BPIJCIQEHLTNDX-UHFFFAOYSA-N 1 0 393.506 3.715 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(-n2cc(CC[NH3+])c3c2cccc3Cl)n1 ZINC001162653689 1025853455 /nfs/dbraw/zinc/85/34/55/1025853455.db2.gz DLXQFCUUFYIFMI-IFRROFPPSA-N 1 0 396.303 3.759 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC001139073688 1025878110 /nfs/dbraw/zinc/87/81/10/1025878110.db2.gz PDJZABCINXQEMT-ICSRJNTNSA-N 1 0 379.884 3.642 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cn(C)c3ccc(OC)cc13)CCO2 ZINC001139148740 1025963726 /nfs/dbraw/zinc/96/37/26/1025963726.db2.gz XKPCSHKRUQBQRE-AUSIDOKSSA-N 1 0 384.520 3.761 20 30 GHEDRO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cccc2c1ccn2CC ZINC001139153350 1025972949 /nfs/dbraw/zinc/97/29/49/1025972949.db2.gz QLIFPCLJSZGEEF-OAQYLSRUSA-N 1 0 379.508 3.575 20 30 GHEDRO C#CCOc1ccc(Br)cc1CNC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001461048207 1069359656 /nfs/dbraw/zinc/35/96/56/1069359656.db2.gz OVJNEJRNHJLPFK-CVEARBPZSA-N 1 0 379.342 3.814 20 30 GHEDRO Brc1ccc(C#Cc2ccc(N[C@H]3COCCC34C[NH2+]C4)cc2)cc1 ZINC001163073028 1026033569 /nfs/dbraw/zinc/03/35/69/1026033569.db2.gz MLUBGEDJGMKHES-FQEVSTJZSA-N 1 0 397.316 3.639 20 30 GHEDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000839646189 1026159823 /nfs/dbraw/zinc/15/98/23/1026159823.db2.gz YKKNTAXUHQUWMR-SFTDATJTSA-N 1 0 399.535 3.843 20 30 GHEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000839676556 1026190540 /nfs/dbraw/zinc/19/05/40/1026190540.db2.gz XLQDIGPODXWLMD-ZYSHUDEJSA-N 1 0 392.503 3.795 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc([C@H](C#N)c2ccc(C)cc2)nn1 ZINC001163466232 1026205424 /nfs/dbraw/zinc/20/54/24/1026205424.db2.gz NGEFJQALBOTDKK-OAQYLSRUSA-N 1 0 384.487 3.930 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N3CCCCC3)nc1)C2 ZINC001139343060 1026207232 /nfs/dbraw/zinc/20/72/32/1026207232.db2.gz PVQUNFNZDLBHSM-GMAHTHKFSA-N 1 0 385.552 3.646 20 30 GHEDRO C=CCn1cnc2nc(Nc3[nH+]ccc4c3ccn4Cc3ccccc3)[nH]c(=O)c21 ZINC001163496107 1026214770 /nfs/dbraw/zinc/21/47/70/1026214770.db2.gz KYUQCIOBVGRRSN-UHFFFAOYSA-N 1 0 397.442 3.860 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC001139358533 1026231263 /nfs/dbraw/zinc/23/12/63/1026231263.db2.gz UIQDBKNDYRKTHD-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)CC[C@@H]21 ZINC001139403467 1026275376 /nfs/dbraw/zinc/27/53/76/1026275376.db2.gz UNMGBOZZJDIBKD-GMAHTHKFSA-N 1 0 388.515 3.699 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139406624 1026278556 /nfs/dbraw/zinc/27/85/56/1026278556.db2.gz XKTOZNUMRRQBTH-CTNGQTDRSA-N 1 0 390.487 3.671 20 30 GHEDRO C=CC[C@H]1N(C(=O)Cc2csc(SCC[NH+](C)C)n2)CCCC1(C)C ZINC001139510752 1026364735 /nfs/dbraw/zinc/36/47/35/1026364735.db2.gz FBPSYKIYUXTZFN-MRXNPFEDSA-N 1 0 381.611 3.933 20 30 GHEDRO C[C@H]1CN(c2ccc(C#N)c(Br)c2F)CCN1c1cc[nH+]cc1 ZINC001164014934 1026386211 /nfs/dbraw/zinc/38/62/11/1026386211.db2.gz DABOGRZHJNEWJW-LBPRGKRZSA-N 1 0 375.245 3.570 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)cc1F ZINC001139528489 1026386253 /nfs/dbraw/zinc/38/62/53/1026386253.db2.gz PGWBPVWZKQIAIG-IFMALSPDSA-N 1 0 399.441 3.682 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)cc1F ZINC001139528491 1026386701 /nfs/dbraw/zinc/38/67/01/1026386701.db2.gz PGWBPVWZKQIAIG-RBBKRZOGSA-N 1 0 399.441 3.682 20 30 GHEDRO CN1CCC(CNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)([NH+](C)C)CC1 ZINC001164213075 1026454585 /nfs/dbraw/zinc/45/45/85/1026454585.db2.gz NEWLVJWFJBBFRP-UHFFFAOYSA-N 1 0 387.343 3.700 20 30 GHEDRO CN(C)/C=[NH+]/c1ccc(NC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C#N ZINC001164273771 1026473950 /nfs/dbraw/zinc/47/39/50/1026473950.db2.gz KDOZGTXTMMTMQP-MFKUBSTISA-N 1 0 393.466 3.635 20 30 GHEDRO N#Cc1ccc(F)c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001139647954 1026509217 /nfs/dbraw/zinc/50/92/17/1026509217.db2.gz UHGDTTKDQFRDIJ-UPVQGACJSA-N 1 0 397.538 3.658 20 30 GHEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC001139649195 1026510519 /nfs/dbraw/zinc/51/05/19/1026510519.db2.gz RGGWRWPEJYHMPI-DHIUTWEWSA-N 1 0 395.478 3.680 20 30 GHEDRO COC(=O)c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1CC#N ZINC001164499494 1026536802 /nfs/dbraw/zinc/53/68/02/1026536802.db2.gz RIHQVYOCWRVZLW-WTIAFYNJSA-N 1 0 389.499 3.862 20 30 GHEDRO N#Cc1cccc2c(CN3CCCn4cnc(COc5cccnc5)c4C3)c[nH]c21 ZINC001139702428 1026547003 /nfs/dbraw/zinc/54/70/03/1026547003.db2.gz ANTQOOQNYFOIHM-UHFFFAOYSA-N 1 0 398.470 3.616 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139704790 1026549628 /nfs/dbraw/zinc/54/96/28/1026549628.db2.gz YCUKVUKITVQIHU-SJLPKXTDSA-N 1 0 380.492 3.728 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)cc1C#N ZINC001139723829 1026565360 /nfs/dbraw/zinc/56/53/60/1026565360.db2.gz HOGNQNXYAAOSES-GGAORHGYSA-N 1 0 395.478 3.851 20 30 GHEDRO C#CC[N@H+](Cc1cccc(OCCN2CCOCC2)c1)[C@@H]1CCc2ccccc21 ZINC001139764016 1026603077 /nfs/dbraw/zinc/60/30/77/1026603077.db2.gz ZBJDAYLKXCTCTE-RUZDIDTESA-N 1 0 390.527 3.520 20 30 GHEDRO CN(C[C@H]1CC[NH2+]C1)C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001165124184 1026619774 /nfs/dbraw/zinc/61/97/74/1026619774.db2.gz FWWPCPMHSPUSAE-AWEZNQCLSA-N 1 0 376.838 3.864 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001139869980 1026683562 /nfs/dbraw/zinc/68/35/62/1026683562.db2.gz VKAFVWIAKUDNMY-FQEVSTJZSA-N 1 0 395.950 3.972 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC001139877512 1026694545 /nfs/dbraw/zinc/69/45/45/1026694545.db2.gz MHJAHSBFDHRZKK-UNMCSNQZSA-N 1 0 381.451 3.542 20 30 GHEDRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2cc(F)cc(C#N)c2)CC3)n1 ZINC001139877574 1026694825 /nfs/dbraw/zinc/69/48/25/1026694825.db2.gz PFHJMEILQVQACA-UHFFFAOYSA-N 1 0 392.478 3.558 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCCC[C@H]3C3CC[NH2+]CC3)nn2)cc1 ZINC001165319742 1026702707 /nfs/dbraw/zinc/70/27/07/1026702707.db2.gz KWPMTTNRJFMYNX-UNMCSNQZSA-N 1 0 375.520 3.799 20 30 GHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCCC[C@@H]3C3CC[NH2+]CC3)nn2)cc1 ZINC001165319741 1026703015 /nfs/dbraw/zinc/70/30/15/1026703015.db2.gz KWPMTTNRJFMYNX-RBBKRZOGSA-N 1 0 375.520 3.799 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1cccc(NCC2C[NH+](Cc3ccccc3)C2)n1 ZINC001165427124 1026724566 /nfs/dbraw/zinc/72/45/66/1026724566.db2.gz JPMBCFZWTJGYOR-LJQANCHMSA-N 1 0 392.503 3.574 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c12 ZINC001165433809 1026727421 /nfs/dbraw/zinc/72/74/21/1026727421.db2.gz KSFPYMYCHJUTFW-YPMHNXCESA-N 1 0 376.838 3.721 20 30 GHEDRO Cc1cccc(N(c2nc(C)c(C#N)cc2Cl)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165776508 1026833750 /nfs/dbraw/zinc/83/37/50/1026833750.db2.gz PUAOYZSRMGETAP-NQIIRXRSSA-N 1 0 382.895 3.883 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(CC(=O)N(c5cccc(F)c5)C4)C3)c2c1 ZINC001140114327 1026895527 /nfs/dbraw/zinc/89/55/27/1026895527.db2.gz UYUBZHGGECZIHW-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H](Oc4cc(C(F)(F)F)ncn4)C3)c2c1 ZINC001140117547 1026898063 /nfs/dbraw/zinc/89/80/63/1026898063.db2.gz TXSQRDDOLMBRAQ-AWEZNQCLSA-N 1 0 387.365 3.502 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC(n4cc(Br)cn4)CC3)c2c1 ZINC001140118940 1026899386 /nfs/dbraw/zinc/89/93/86/1026899386.db2.gz LSGRGKLQQSVZKU-UHFFFAOYSA-N 1 0 384.281 3.836 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(F)c1 ZINC001140138750 1026913021 /nfs/dbraw/zinc/91/30/21/1026913021.db2.gz QJSXGDDVCBGHDZ-HSZRJFAPSA-N 1 0 395.453 3.851 20 30 GHEDRO C=C(Br)C[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001461169176 1069423453 /nfs/dbraw/zinc/42/34/53/1069423453.db2.gz FRNQTZJMZFFWOQ-UHFFFAOYSA-N 1 0 381.314 3.978 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCOc1ccc(F)c(F)c1 ZINC001461190411 1069433586 /nfs/dbraw/zinc/43/35/86/1069433586.db2.gz OHSWNFHTFCVBHF-UHFFFAOYSA-N 1 0 396.231 3.908 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)[C@@H]2CC ZINC001209759084 1027153259 /nfs/dbraw/zinc/15/32/59/1027153259.db2.gz AJJHVNBIXVJKQO-OFNKIYASSA-N 1 0 378.520 3.998 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)c(F)c1 ZINC001203221593 1027238395 /nfs/dbraw/zinc/23/83/95/1027238395.db2.gz FOXBDCLPHNNCQI-UHFFFAOYSA-N 1 0 389.430 3.518 20 30 GHEDRO C=CCn1c(Cc2ccccc2)nn(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1=S ZINC000840151539 1027283078 /nfs/dbraw/zinc/28/30/78/1027283078.db2.gz HPCNGMSKAWAHMZ-IBGZPJMESA-N 1 0 385.581 3.563 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(Cl)ccc4O)C3)CC2=O)c1 ZINC001203659067 1027517382 /nfs/dbraw/zinc/51/73/82/1027517382.db2.gz QZZWMZSWDCVLAJ-OAQYLSRUSA-N 1 0 381.863 3.546 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)C1 ZINC001203665004 1027519334 /nfs/dbraw/zinc/51/93/34/1027519334.db2.gz FSTDQUXDAVFEOH-SFHVURJKSA-N 1 0 391.346 3.734 20 30 GHEDRO C[NH+]1CCC(n2cc(Nc3cc(Br)cc(F)c3C#N)cn2)CC1 ZINC001210759261 1027641725 /nfs/dbraw/zinc/64/17/25/1027641725.db2.gz BEOIMNYCHSASMJ-UHFFFAOYSA-N 1 0 378.249 3.667 20 30 GHEDRO CSc1nc(CN(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)ccc1C#N ZINC001141945764 1027725683 /nfs/dbraw/zinc/72/56/83/1027725683.db2.gz LRZKFLZXEGJQHO-UHFFFAOYSA-N 1 0 384.524 3.911 20 30 GHEDRO C(#Cc1ccccc1)c1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)s1 ZINC001141975648 1027787129 /nfs/dbraw/zinc/78/71/29/1027787129.db2.gz FGKQPUHDOYZTAL-BGYRXZFFSA-N 1 0 386.524 3.506 20 30 GHEDRO C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1ccc(OC)c2ccccc12 ZINC001203992278 1027789225 /nfs/dbraw/zinc/78/92/25/1027789225.db2.gz FZWRVOJSGRYKPK-OAQYLSRUSA-N 1 0 377.488 3.884 20 30 GHEDRO CCCNC(=O)COC1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141977909 1027792409 /nfs/dbraw/zinc/79/24/09/1027792409.db2.gz SFVYHZUZTSBQNZ-UHFFFAOYSA-N 1 0 396.556 3.655 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c(C)onc1-c1ccccc1)CC2 ZINC001141979079 1027796849 /nfs/dbraw/zinc/79/68/49/1027796849.db2.gz OEBGLPIJJODOTR-UHFFFAOYSA-N 1 0 381.476 3.870 20 30 GHEDRO C[NH2+]Cc1ccc(Nc2cc(F)c(C#N)cc2I)cc1 ZINC001211134784 1027803464 /nfs/dbraw/zinc/80/34/64/1027803464.db2.gz BNGHIHXLEYGQDO-UHFFFAOYSA-N 1 0 381.192 3.765 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC000840979593 1028017266 /nfs/dbraw/zinc/01/72/66/1028017266.db2.gz XPGRZNYQPMJPNL-HTAPYJJXSA-N 1 0 385.508 3.953 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(C)nn(C(C)(C)C)c3C)C2)C1 ZINC001142155539 1028260740 /nfs/dbraw/zinc/26/07/40/1028260740.db2.gz GGEPOFRZKJRQQG-JOCHJYFZSA-N 1 0 388.556 3.865 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1cc(C#N)cc(C(F)(F)F)c1 ZINC001213899070 1028440232 /nfs/dbraw/zinc/44/02/32/1028440232.db2.gz YEXDYKIAWXKIQH-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000841368205 1028510194 /nfs/dbraw/zinc/51/01/94/1028510194.db2.gz FTNMLTBFHGWCRS-GTWYHSLGSA-N 1 0 389.499 3.706 20 30 GHEDRO CC[C@H](C#N)Oc1cc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)ccc1OC ZINC000841396384 1028566340 /nfs/dbraw/zinc/56/63/40/1028566340.db2.gz PUEUJEMRXIMFBH-WOJBJXKFSA-N 1 0 395.503 3.685 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001142443248 1028929271 /nfs/dbraw/zinc/92/92/71/1028929271.db2.gz LUHLXWIRETZYMK-UHFFFAOYSA-N 1 0 392.286 3.735 20 30 GHEDRO Cc1cc(-c2noc(-c3ccc(N4CC[NH+](C)CC4)cc3Cl)n2)ccc1C#N ZINC001215530832 1029254722 /nfs/dbraw/zinc/25/47/22/1029254722.db2.gz LCZWRAMHTWQNKQ-UHFFFAOYSA-N 1 0 393.878 3.989 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC000842676732 1029482760 /nfs/dbraw/zinc/48/27/60/1029482760.db2.gz JOWRQNGNPOWTPW-OTWHNJEPSA-N 1 0 385.508 3.714 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3ccccc3N3CC[NH+](C)CC3)n2)c(F)c1 ZINC001216004196 1029486963 /nfs/dbraw/zinc/48/69/63/1029486963.db2.gz XIHFPRGFCWWDRX-UHFFFAOYSA-N 1 0 394.450 3.859 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc(OC)c1O ZINC000842743856 1029553888 /nfs/dbraw/zinc/55/38/88/1029553888.db2.gz LYGKPRJKNCSKJX-OAHLLOKOSA-N 1 0 381.476 3.510 20 30 GHEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)C#Cc2ccccc2)cc1 ZINC001142859170 1029595027 /nfs/dbraw/zinc/59/50/27/1029595027.db2.gz QWEVTZYQMUDNKF-JOCHJYFZSA-N 1 0 376.500 3.560 20 30 GHEDRO C=CCOc1ccc(-c2noc(-c3ccc(CN4CC[NH2+]CC4)cc3)n2)c(F)c1 ZINC001216461989 1029649198 /nfs/dbraw/zinc/64/91/98/1029649198.db2.gz LLOFBXGYJIWMBE-UHFFFAOYSA-N 1 0 394.450 3.513 20 30 GHEDRO N#Cc1ccccc1C(F)(F)C(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001142900085 1029660742 /nfs/dbraw/zinc/66/07/42/1029660742.db2.gz GIRWVDSLKKRJCK-RTWAWAEBSA-N 1 0 395.453 3.918 20 30 GHEDRO COC(=O)[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@@H]1c1ccc(F)cc1 ZINC001142926363 1029702322 /nfs/dbraw/zinc/70/23/22/1029702322.db2.gz PFYLOIQAYHMLML-UXHICEINSA-N 1 0 377.419 3.567 20 30 GHEDRO N#Cc1ccc2c(C[NH+]3CCC4(CN(c5cccc(F)c5)C4=O)CC3)c[nH]c2c1 ZINC001142928810 1029709639 /nfs/dbraw/zinc/70/96/39/1029709639.db2.gz LMAWHZLXCXSSSK-UHFFFAOYSA-N 1 0 388.446 3.808 20 30 GHEDRO CN1C(=O)C2(CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)[C@@H]1c1ccccc1 ZINC001142928578 1029709880 /nfs/dbraw/zinc/70/98/80/1029709880.db2.gz CXTCBGLOXSLVIP-QFIPXVFZSA-N 1 0 384.483 3.835 20 30 GHEDRO C[NH+]1CCN(c2cccc(Nc3ccc(OC4CCOCC4)c(C#N)c3)c2)CC1 ZINC001216667541 1029723221 /nfs/dbraw/zinc/72/32/21/1029723221.db2.gz DMCYUCROVKRCRT-UHFFFAOYSA-N 1 0 392.503 3.611 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(-c3ccccc3)nn1C)C2 ZINC001143008895 1029778909 /nfs/dbraw/zinc/77/89/09/1029778909.db2.gz CADQJJVJWXWCRV-DHIUTWEWSA-N 1 0 381.520 3.661 20 30 GHEDRO N#Cc1ccc(CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC001222009263 1029929000 /nfs/dbraw/zinc/92/90/00/1029929000.db2.gz FFHMTGBYDUVIBT-JOCHJYFZSA-N 1 0 376.504 3.627 20 30 GHEDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@@H]21 ZINC001222125320 1029972151 /nfs/dbraw/zinc/97/21/51/1029972151.db2.gz DSQSJWSKHRVPMC-HKUYNNGSSA-N 1 0 380.517 3.522 20 30 GHEDRO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000843482008 1030034512 /nfs/dbraw/zinc/03/45/12/1030034512.db2.gz YXOWFKSFDDGGAT-ICZAOOFJSA-N 1 0 384.520 3.511 20 30 GHEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC001461605859 1069637302 /nfs/dbraw/zinc/63/73/02/1069637302.db2.gz UDBVHVVMGMURFF-SFHVURJKSA-N 1 0 388.305 3.892 20 30 GHEDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+](C)C ZINC001217008614 1030080016 /nfs/dbraw/zinc/08/00/16/1030080016.db2.gz XBWXUPLJEQOGEZ-OAHLLOKOSA-N 1 0 386.418 3.945 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc(-c4cncc5c4CC[NH2+]C5)n3)cc2)cc1 ZINC001217202472 1030231744 /nfs/dbraw/zinc/23/17/44/1030231744.db2.gz AOIUROJTAXGTPU-UHFFFAOYSA-N 1 0 379.423 3.983 20 30 GHEDRO CN(CC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)CC(F)F ZINC001461673138 1069669857 /nfs/dbraw/zinc/66/98/57/1069669857.db2.gz ZVZNONLWBKCNMD-ZDUSSCGKSA-N 1 0 394.306 3.845 20 30 GHEDRO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cc(-c4ccsc4)cs3)C2)OCC1=O ZINC001276907384 1030674935 /nfs/dbraw/zinc/67/49/35/1030674935.db2.gz VUPZDRNKXTUATJ-FQEVSTJZSA-N 1 0 388.558 3.856 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@@H]3CCCC[NH2+]C3)c3ccccc23)ccc1F ZINC001217974833 1030700590 /nfs/dbraw/zinc/70/05/90/1030700590.db2.gz PPIAHMROPJMNQY-QGZVFWFLSA-N 1 0 376.435 3.752 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CCCC[NH2+]C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001217978558 1030702187 /nfs/dbraw/zinc/70/21/87/1030702187.db2.gz ZSQASQYPMPRREK-HKMNZKMDSA-N 1 0 383.444 3.523 20 30 GHEDRO C[C@@H](Oc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O)C1CC[NH2+]CC1 ZINC001218006345 1030717997 /nfs/dbraw/zinc/71/79/97/1030717997.db2.gz QPUJIALNYQNLRZ-NGWPFTMJSA-N 1 0 395.455 3.523 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[NH2+]CC[C@H]2C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218033583 1030733850 /nfs/dbraw/zinc/73/38/50/1030733850.db2.gz DWOUNSVIQCVORE-WEHVPVBDSA-N 1 0 397.471 3.769 20 30 GHEDRO COC(=O)c1ccc(C#N)cc1CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001223765748 1030745139 /nfs/dbraw/zinc/74/51/39/1030745139.db2.gz RAERGBKEIXUELB-NPHXMPSESA-N 1 0 390.483 3.772 20 30 GHEDRO Cc1cc(O[C@H]2CC[NH2+]C[C@H]2F)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218065444 1030752347 /nfs/dbraw/zinc/75/23/47/1030752347.db2.gz WUOBURRIXMKJBC-HXWFPPQTSA-N 1 0 385.435 3.690 20 30 GHEDRO O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O[C@@H]3CC[NH2+]C[C@H]3F)cc2)C=C1 ZINC001218067801 1030753054 /nfs/dbraw/zinc/75/30/54/1030753054.db2.gz UIUBVLXUYWZWCA-DHIUTWEWSA-N 1 0 391.442 3.968 20 30 GHEDRO COc1cc(O)cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c1C(=O)/C=C/c1ccccc1 ZINC001218120528 1030782962 /nfs/dbraw/zinc/78/29/62/1030782962.db2.gz UFWCRBVGVHAHKJ-FXLKCPFRSA-N 1 0 379.456 3.818 20 30 GHEDRO COC(=O)CCc1cc(C(C)(C)C)c(O[C@@H]2C[NH2+]C[C@@H]2C#N)c(C(C)(C)C)c1 ZINC001218199227 1030821229 /nfs/dbraw/zinc/82/12/29/1030821229.db2.gz BULIZFIHYJXMDV-QFBILLFUSA-N 1 0 386.536 3.878 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1nc2ncc(Br)cc2n1C1CCCC1 ZINC001218204420 1030828049 /nfs/dbraw/zinc/82/80/49/1030828049.db2.gz PWCGJQFKOZRQJW-HNNXBMFYSA-N 1 0 377.286 3.606 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)c(Br)cc1C(=O)OC ZINC001218207352 1030829205 /nfs/dbraw/zinc/82/92/05/1030829205.db2.gz PSULLYKXMOZXSH-ZDUSSCGKSA-N 1 0 394.187 3.551 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1 ZINC001218206464 1030829702 /nfs/dbraw/zinc/82/97/02/1030829702.db2.gz BXIQSYWEVBWRIT-WCYCAPIHSA-N 1 0 379.456 3.897 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC(C)=O)cc2oc(-c3ccccc3)cc(=O)c12 ZINC001218206428 1030829862 /nfs/dbraw/zinc/82/98/62/1030829862.db2.gz KKMBBDNUYGYNOD-JOCHJYFZSA-N 1 0 391.423 3.682 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(=O)c2cc(CC)ccc2oc1-c1ccc(O)c(O)c1 ZINC001218211432 1030833118 /nfs/dbraw/zinc/83/31/18/1030833118.db2.gz ZHIRJADBEIBWTR-FQEVSTJZSA-N 1 0 393.439 3.731 20 30 GHEDRO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1sc(Cl)c3ccccc31)C2 ZINC001276938035 1030847439 /nfs/dbraw/zinc/84/74/39/1030847439.db2.gz ONZLLYNAAXFKOH-FQEVSTJZSA-N 1 0 390.936 3.792 20 30 GHEDRO COc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218252832 1030854480 /nfs/dbraw/zinc/85/44/80/1030854480.db2.gz VCYFHPZFXKITJJ-HOCCWMLVSA-N 1 0 379.456 3.816 20 30 GHEDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccccc1/C=N/CC/N=C/c1ccccc1O ZINC001218314273 1030886971 /nfs/dbraw/zinc/88/69/71/1030886971.db2.gz HJWDENLXNLSNLF-KFMRGBQWSA-N 1 0 379.504 3.697 20 30 GHEDRO Cc1cc(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218324898 1030894543 /nfs/dbraw/zinc/89/45/43/1030894543.db2.gz KNMCVISLYVBOSY-GIACPFCFSA-N 1 0 379.456 3.597 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@@H]3CC[NH2+]C[C@@H]3C)c(C#N)c2)nc1C ZINC001218412391 1030928402 /nfs/dbraw/zinc/92/84/02/1030928402.db2.gz FGSORUZGTZVEIJ-BLLLJJGKSA-N 1 0 385.489 3.544 20 30 GHEDRO O=C(c1ccc(O[C@@H](C#Cc2ccccc2)c2ccccc2)cc1)N1CC[NH2+]CC1 ZINC001218438496 1030936871 /nfs/dbraw/zinc/93/68/71/1030936871.db2.gz JZXRYFWOWWUGMO-VWLOTQADSA-N 1 0 396.490 3.904 20 30 GHEDRO CSc1cc(C)nc(SC)c1NC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N ZINC001218516117 1030969211 /nfs/dbraw/zinc/96/92/11/1030969211.db2.gz APTQLPRQGUGADO-HNNXBMFYSA-N 1 0 386.546 3.604 20 30 GHEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC001218540911 1030979422 /nfs/dbraw/zinc/97/94/22/1030979422.db2.gz HEBGXUAAFRHYCT-UHFFFAOYSA-N 1 0 377.444 3.861 20 30 GHEDRO N#Cc1c(NC(=O)C2(N)CC[NH2+]CC2)oc(-c2ccccc2)c1-c1ccccc1 ZINC001218552032 1030984321 /nfs/dbraw/zinc/98/43/21/1030984321.db2.gz APOUVGRNZRGFOH-UHFFFAOYSA-N 1 0 386.455 3.505 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CCCCCCCCCCCON)C[NH2+]CC2 ZINC001218554297 1030985885 /nfs/dbraw/zinc/98/58/85/1030985885.db2.gz XQQFLTAYTNUBTG-UHFFFAOYSA-N 1 0 392.569 3.995 20 30 GHEDRO C#CC[C@H]([NH3+])C(=O)Nc1cc(-c2ccc(CC(C)C)cc2)sc1C(=O)OC ZINC001218611933 1031005185 /nfs/dbraw/zinc/00/51/85/1031005185.db2.gz JNAHIDOGIBHXLB-INIZCTEOSA-N 1 0 384.501 3.689 20 30 GHEDRO C#CCN(C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001224664893 1031072269 /nfs/dbraw/zinc/07/22/69/1031072269.db2.gz OSLHYAFWPSTQGR-HSZRJFAPSA-N 1 0 375.516 3.841 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]([NH3+])CCCc2ccccc2)c(OC(F)(F)F)c1 ZINC001218840176 1031106944 /nfs/dbraw/zinc/10/69/44/1031106944.db2.gz OBRRCMZMKHQNLY-HNNXBMFYSA-N 1 0 377.366 3.746 20 30 GHEDRO N#Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2c2ccccc2)c(OC(F)(F)F)c1 ZINC001218841354 1031108685 /nfs/dbraw/zinc/10/86/85/1031108685.db2.gz YWZAWAXQBUCPSF-PBHICJAKSA-N 1 0 375.350 3.746 20 30 GHEDRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)c(C#N)c1 ZINC001218944219 1031168477 /nfs/dbraw/zinc/16/84/77/1031168477.db2.gz JPUJCBLHKZACNI-FQEVSTJZSA-N 1 0 396.922 3.971 20 30 GHEDRO N#CCc1cccc(NC(=O)[C@@]2(Cc3ccc(Br)cc3)CCC[NH2+]2)c1 ZINC001218988257 1031197080 /nfs/dbraw/zinc/19/70/80/1031197080.db2.gz SPUQLXYGDBABJX-FQEVSTJZSA-N 1 0 398.304 3.819 20 30 GHEDRO CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC001219332845 1031362962 /nfs/dbraw/zinc/36/29/62/1031362962.db2.gz ODCYZZXGJPWWQL-UHFFFAOYSA-N 1 0 385.508 3.682 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219482440 1031448647 /nfs/dbraw/zinc/44/86/47/1031448647.db2.gz BSDORQLVRYGOFB-UYAOXDASSA-N 1 0 390.987 3.666 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001219482852 1031450727 /nfs/dbraw/zinc/45/07/27/1031450727.db2.gz KVWXJICZEMNKOM-GOSISDBHSA-N 1 0 386.955 3.783 20 30 GHEDRO C[Si](C)(C)C#Cc1ccc(C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219540963 1031485693 /nfs/dbraw/zinc/48/56/93/1031485693.db2.gz JVFCWRGAHGZVQX-XLIONFOSSA-N 1 0 376.532 3.616 20 30 GHEDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC001219663347 1031546470 /nfs/dbraw/zinc/54/64/70/1031546470.db2.gz NAESIBQRYXAQMM-LPHOPBHVSA-N 1 0 379.529 3.826 20 30 GHEDRO COc1ccc2c(c1O[C@@H](C)C(C)C)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC001225825189 1031632115 /nfs/dbraw/zinc/63/21/15/1031632115.db2.gz SWEBCRDOWGCWLV-CABYKGFESA-N 1 0 399.531 3.736 20 30 GHEDRO C[NH+](C)CC[C@H](NC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C(C)(C)C ZINC001219911345 1031689740 /nfs/dbraw/zinc/68/97/40/1031689740.db2.gz DHELVIWOUCPEBA-JKSUJKDBSA-N 1 0 384.446 3.827 20 30 GHEDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C3CC3)c(C#N)c2)[NH+](C)C)cc1 ZINC001219953869 1031715371 /nfs/dbraw/zinc/71/53/71/1031715371.db2.gz JKJBYSFTTZEVID-QFIPXVFZSA-N 1 0 391.519 3.926 20 30 GHEDRO Cc1ccc(CNC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)c2ccccc12 ZINC001220339129 1031902581 /nfs/dbraw/zinc/90/25/81/1031902581.db2.gz TXWXSVAWMSXKNH-KOSHJBKYSA-N 1 0 383.495 3.857 20 30 GHEDRO CC[NH+](CC)CCOc1cccc(NC(=O)Nc2ccc(OCC#N)cc2)c1 ZINC001220390906 1031925627 /nfs/dbraw/zinc/92/56/27/1031925627.db2.gz UBIWINKFKOXUAR-UHFFFAOYSA-N 1 0 382.464 3.954 20 30 GHEDRO COc1ccc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)cc1OCCCC#N ZINC001461824379 1069773483 /nfs/dbraw/zinc/77/34/83/1069773483.db2.gz ITLDCPVBHIMUQZ-UHFFFAOYSA-N 1 0 377.444 3.921 20 30 GHEDRO C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC001220497420 1031965985 /nfs/dbraw/zinc/96/59/85/1031965985.db2.gz WMZLJCQCSOQZLD-OAHLLOKOSA-N 1 0 397.450 3.645 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1nc(C(C)(C)C)cs1)C(C)C ZINC001220597606 1032003047 /nfs/dbraw/zinc/00/30/47/1032003047.db2.gz GFETVOMKKUSDAK-MRXNPFEDSA-N 1 0 378.586 3.938 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](Nc2ccccc2)C1)C(C)C ZINC001220597748 1032003598 /nfs/dbraw/zinc/00/35/98/1032003598.db2.gz HPOFSPUGFSRMJR-VXKWHMMOSA-N 1 0 384.568 3.971 20 30 GHEDRO CC(C)[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)[NH+]1CCC(C)CC1 ZINC001220614400 1032013288 /nfs/dbraw/zinc/01/32/88/1032013288.db2.gz IIZVVZLSQSHMKX-JOCHJYFZSA-N 1 0 382.552 3.577 20 30 GHEDRO CC[C@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[N@@H+]1CCc2ccccc2C1 ZINC001220621239 1032023017 /nfs/dbraw/zinc/02/30/17/1032023017.db2.gz BDTJGBDPZSUYNG-LJQANCHMSA-N 1 0 382.533 3.598 20 30 GHEDRO CCCC[NH+](CCCC)CCNc1nc2ccccc2nc1[C@H](C#N)C(=O)OC ZINC001156905645 1033310795 /nfs/dbraw/zinc/31/07/95/1033310795.db2.gz NXLNFNUHWUJLFZ-KRWDZBQOSA-N 1 0 397.523 3.724 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC001205387897 1033388989 /nfs/dbraw/zinc/38/89/89/1033388989.db2.gz AVBTVVZZPLLDLH-MRXNPFEDSA-N 1 0 390.487 3.697 20 30 GHEDRO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC001205388660 1033390687 /nfs/dbraw/zinc/39/06/87/1033390687.db2.gz JMQGBBGEYIVFIU-UHFFFAOYSA-N 1 0 394.862 3.689 20 30 GHEDRO C[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001205391794 1033390879 /nfs/dbraw/zinc/39/08/79/1033390879.db2.gz SXJFJBBFPFJUNU-MRXNPFEDSA-N 1 0 391.496 3.723 20 30 GHEDRO COc1cc(CCC#N)c(-c2ccc(CC[NH+]3CCOCC3)cc2)cc1OC ZINC001205654356 1033511309 /nfs/dbraw/zinc/51/13/09/1033511309.db2.gz JHWOLDUMDYRVJO-UHFFFAOYSA-N 1 0 380.488 3.702 20 30 GHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(C#N)cc1N(C)C ZINC001205941831 1033647683 /nfs/dbraw/zinc/64/76/83/1033647683.db2.gz FNXOHBYQZVBRGA-UHFFFAOYSA-N 1 0 397.498 3.668 20 30 GHEDRO C#Cc1cnc2nc(OC3CCN(c4cc[nH+]cc4)CC3)n(C(CC)CC)c2n1 ZINC001229758877 1033693821 /nfs/dbraw/zinc/69/38/21/1033693821.db2.gz SXBGODAAIPOEQQ-UHFFFAOYSA-N 1 0 390.491 3.612 20 30 GHEDRO C[C@@H]1[C@H]([NH3+])CCCN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001157744396 1033749047 /nfs/dbraw/zinc/74/90/47/1033749047.db2.gz FXSNHCGQNZBDBT-IAQYHMDHSA-N 1 0 377.826 3.530 20 30 GHEDRO Cc1ccc(C2(Cc3nc(-c4cc(C#N)ccc4F)no3)CC[NH2+]CC2)cc1 ZINC001206384691 1033822107 /nfs/dbraw/zinc/82/21/07/1033822107.db2.gz LTNJNXOXYWIXQC-UHFFFAOYSA-N 1 0 376.435 3.920 20 30 GHEDRO N#Cc1cc(Cl)cnc1N(c1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC001158092696 1033912276 /nfs/dbraw/zinc/91/22/76/1033912276.db2.gz SZXXOCLULHKNCN-UHFFFAOYSA-N 1 0 381.789 3.911 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(-c3ccc(OC)cc3)on1)C2 ZINC001206824686 1034003549 /nfs/dbraw/zinc/00/35/49/1034003549.db2.gz YKKVALUYCXTNAG-GOTSBHOMSA-N 1 0 398.503 3.924 20 30 GHEDRO C=CC(C)(C)CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001230473140 1034079514 /nfs/dbraw/zinc/07/95/14/1034079514.db2.gz SFANRQVVLUEPJI-UHFFFAOYSA-N 1 0 384.568 3.620 20 30 GHEDRO COC(=O)c1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884259 1069834345 /nfs/dbraw/zinc/83/43/45/1069834345.db2.gz RXKRYDZVPFLUMO-LEWJYISDSA-N 1 0 377.488 3.883 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N ZINC001207104860 1034095769 /nfs/dbraw/zinc/09/57/69/1034095769.db2.gz ZITROGBSQFXZIW-HXUWFJFHSA-N 1 0 386.540 3.898 20 30 GHEDRO C=CCN(CC[N@H+]1CC[C@@H](Oc2ccccc2OC)C1)C(=O)OC(C)(C)C ZINC001207206733 1034174100 /nfs/dbraw/zinc/17/41/00/1034174100.db2.gz YZNNWPJTKCGZNI-QGZVFWFLSA-N 1 0 376.497 3.571 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001207214727 1034181317 /nfs/dbraw/zinc/18/13/17/1034181317.db2.gz PLKGTGPNUJTYEF-QUCCMNQESA-N 1 0 385.508 3.658 20 30 GHEDRO Cc1cnc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)c(/C=N/O)c1 ZINC001158670534 1034225410 /nfs/dbraw/zinc/22/54/10/1034225410.db2.gz XUOROFOTEIRHRO-PGGKNCGUSA-N 1 0 378.354 3.542 20 30 GHEDRO CCOC(=O)c1sc(C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)nc1C ZINC001207271598 1034225438 /nfs/dbraw/zinc/22/54/38/1034225438.db2.gz XRRKEIDUDKRIND-UHFFFAOYSA-N 1 0 399.516 3.888 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)n1cc(CC[NH3+])c2ncccc21 ZINC001158745781 1034257363 /nfs/dbraw/zinc/25/73/63/1034257363.db2.gz LSJGLMRAODTMRK-UHFFFAOYSA-N 1 0 382.201 3.709 20 30 GHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159010252 1034378724 /nfs/dbraw/zinc/37/87/24/1034378724.db2.gz HEMILRBFBUFOLZ-UHFFFAOYSA-N 1 0 389.890 3.796 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCCc4cccc(F)c4)C3)CC2=O)c1 ZINC001207600956 1034479575 /nfs/dbraw/zinc/47/95/75/1034479575.db2.gz AGRYSWNSXYLEGR-HSZRJFAPSA-N 1 0 377.463 3.759 20 30 GHEDRO N#Cc1ccc(N[C@H]2CCC[N@@H+](CCc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC001207632048 1034497836 /nfs/dbraw/zinc/49/78/36/1034497836.db2.gz WCPDGYPQTNMGTK-KRWDZBQOSA-N 1 0 390.409 3.971 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001207805672 1034583410 /nfs/dbraw/zinc/58/34/10/1034583410.db2.gz HUTFQKLPUJTOPG-ZWKOTPCHSA-N 1 0 379.545 3.712 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001159545161 1034655864 /nfs/dbraw/zinc/65/58/64/1034655864.db2.gz GLPDBCZVQOXGFI-UHFFFAOYSA-N 1 0 380.870 3.885 20 30 GHEDRO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001207918774 1034658193 /nfs/dbraw/zinc/65/81/93/1034658193.db2.gz ZSEILWVAEITETR-SFHVURJKSA-N 1 0 377.536 3.647 20 30 GHEDRO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)c(F)c(Cl)c3)C2)C1=O ZINC001277537163 1034724004 /nfs/dbraw/zinc/72/40/04/1034724004.db2.gz UTAABSLMAOFMKN-SFHVURJKSA-N 1 0 384.282 3.861 20 30 GHEDRO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3ccccc3C#Cc3ccccc3)C[C@@H]2C1 ZINC001231576705 1034725904 /nfs/dbraw/zinc/72/59/04/1034725904.db2.gz GVZBQTDQTSPFHL-DNQXCXABSA-N 1 0 396.490 3.883 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@H](C[N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001208097247 1034734699 /nfs/dbraw/zinc/73/46/99/1034734699.db2.gz WRQMXRVDJSYDEH-LJQANCHMSA-N 1 0 379.545 3.951 20 30 GHEDRO CCCCCCC/C=C/CN1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001208118887 1034746117 /nfs/dbraw/zinc/74/61/17/1034746117.db2.gz QUHBGMXYAUTXLB-ZJVMWOEPSA-N 1 0 387.616 3.924 20 30 GHEDRO C=CCOc1cccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)c1 ZINC001231621971 1034779144 /nfs/dbraw/zinc/77/91/44/1034779144.db2.gz NBSCBKQKCVEGPF-XMMPIXPASA-N 1 0 392.499 3.889 20 30 GHEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)c1 ZINC001231622863 1034780814 /nfs/dbraw/zinc/78/08/14/1034780814.db2.gz KMFPVLUAXORXBE-RTWAWAEBSA-N 1 0 398.528 3.567 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c1 ZINC001231622940 1034781728 /nfs/dbraw/zinc/78/17/28/1034781728.db2.gz NLOZEHFGAXQQDR-UHFFFAOYSA-N 1 0 378.520 3.924 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)OC3)CC2)c1 ZINC001231623538 1034783068 /nfs/dbraw/zinc/78/30/68/1034783068.db2.gz JIBXSUIUVGRACE-JOCHJYFZSA-N 1 0 398.547 3.635 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001231623994 1034784446 /nfs/dbraw/zinc/78/44/46/1034784446.db2.gz FIFDRCVZRFESDD-UHFFFAOYSA-N 1 0 390.487 3.909 20 30 GHEDRO C=CCOc1cccc(C[NH+]2CCN(c3ccc(OCCOC)cc3)CC2)c1 ZINC001231624092 1034785421 /nfs/dbraw/zinc/78/54/21/1034785421.db2.gz GORZKGIKAALWDH-UHFFFAOYSA-N 1 0 382.504 3.599 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CC2)CN(Cc2cccc(OC)c2)CCO3)c1 ZINC001231654850 1034812875 /nfs/dbraw/zinc/81/28/75/1034812875.db2.gz GYCPNUDAOGPOBA-UHFFFAOYSA-N 1 0 390.527 3.544 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)c1 ZINC001231656967 1034815008 /nfs/dbraw/zinc/81/50/08/1034815008.db2.gz KMVYRMRYJCXXRW-UHFFFAOYSA-N 1 0 376.475 3.964 20 30 GHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160117251 1034868895 /nfs/dbraw/zinc/86/88/95/1034868895.db2.gz ZJBPVYPFIIKXMZ-UHFFFAOYSA-N 1 0 395.869 3.921 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)Nc1n[nH]c(C)c1-c1ccc(Br)cc1 ZINC001160222305 1034906189 /nfs/dbraw/zinc/90/61/89/1034906189.db2.gz DJJUHMIHDBLCTI-UHFFFAOYSA-N 1 0 377.286 3.594 20 30 GHEDRO CCOC(=O)CCCc1ccc(C#N)cc1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001160223698 1034906924 /nfs/dbraw/zinc/90/69/24/1034906924.db2.gz WFRVQXHLHPZQFC-UHFFFAOYSA-N 1 0 392.503 3.597 20 30 GHEDRO CC[C@@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001208476310 1034909639 /nfs/dbraw/zinc/90/96/39/1034909639.db2.gz RMYPZPBCCDFBIN-QGZVFWFLSA-N 1 0 384.430 3.965 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)cc1 ZINC001231817336 1034926336 /nfs/dbraw/zinc/92/63/36/1034926336.db2.gz FXWKFNHITRIGDA-UHFFFAOYSA-N 1 0 388.515 3.912 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)cc1 ZINC001231820798 1034929482 /nfs/dbraw/zinc/92/94/82/1034929482.db2.gz UERKZBJCDPSKFL-XZOQPEGZSA-N 1 0 390.531 3.660 20 30 GHEDRO C=CCN1CC[C@@]2(CCCN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC001208586592 1034944025 /nfs/dbraw/zinc/94/40/25/1034944025.db2.gz WQGKLZFXABPXJU-ISKFKSNPSA-N 1 0 381.564 3.542 20 30 GHEDRO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)c(Br)cc1C)CC2 ZINC001276582461 1035007529 /nfs/dbraw/zinc/00/75/29/1035007529.db2.gz MYRIYFJCSPNLBQ-QGZVFWFLSA-N 1 0 391.353 3.970 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ncc(Br)cc1F)C2 ZINC001231986574 1035025239 /nfs/dbraw/zinc/02/52/39/1035025239.db2.gz UUVBFMLBRHOVRF-ROUUACIJSA-N 1 0 399.304 3.557 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3c(C)cc(F)cc3Br)C2)C1=O ZINC001277596555 1035027640 /nfs/dbraw/zinc/02/76/40/1035027640.db2.gz FSRRSZQEXIJPDH-IBGZPJMESA-N 1 0 395.316 3.897 20 30 GHEDRO Cc1nc(CO[C@@H]2C[N@H+](CCCc3cccc(C#N)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001208850216 1035056969 /nfs/dbraw/zinc/05/69/69/1035056969.db2.gz ZQLIDNYFYDROGE-VSKRKVRLSA-N 1 0 397.544 3.704 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001208852024 1035057829 /nfs/dbraw/zinc/05/78/29/1035057829.db2.gz QXSRWMWAHTUTLO-OAQYLSRUSA-N 1 0 378.520 3.733 20 30 GHEDRO CCOC[C@H]1C[N@H+](CCCc2cccc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001208852278 1035057942 /nfs/dbraw/zinc/05/79/42/1035057942.db2.gz YKQATFJJTNRGFV-OAQYLSRUSA-N 1 0 378.520 3.733 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c1 ZINC001208852605 1035059031 /nfs/dbraw/zinc/05/90/31/1035059031.db2.gz NPBDXUJNQZPLHF-RZUBCFFCSA-N 1 0 397.544 3.644 20 30 GHEDRO N#Cc1cccc(CCC[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c1 ZINC001208852604 1035059794 /nfs/dbraw/zinc/05/97/94/1035059794.db2.gz NPBDXUJNQZPLHF-KCZVDYSFSA-N 1 0 397.544 3.644 20 30 GHEDRO N#Cc1ccc(CCC[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)cc1 ZINC001208857188 1035061439 /nfs/dbraw/zinc/06/14/39/1035061439.db2.gz XFRYJHLJHMJZOQ-UHFFFAOYSA-N 1 0 377.488 3.855 20 30 GHEDRO COc1cccc2c1c(C[NH3+])cn2-c1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001160763761 1035061936 /nfs/dbraw/zinc/06/19/36/1035061936.db2.gz PZFWFXDRYQXBIX-MRXNPFEDSA-N 1 0 387.418 3.682 20 30 GHEDRO C=CCOCc1ncn2c1C[N@H+](CC1CCN(c3ccccc3)CC1)CCC2 ZINC001208908878 1035084300 /nfs/dbraw/zinc/08/43/00/1035084300.db2.gz PGIFAIUTKOWMBC-UHFFFAOYSA-N 1 0 380.536 3.708 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925616 1035091829 /nfs/dbraw/zinc/09/18/29/1035091829.db2.gz JSFCCQGAUCXEJF-UGKGYDQZSA-N 1 0 387.499 3.772 20 30 GHEDRO N#Cc1ccc(CC[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)cc1 ZINC001208926090 1035091979 /nfs/dbraw/zinc/09/19/79/1035091979.db2.gz AMAHPZDGCUUIRJ-DNQXCXABSA-N 1 0 391.515 3.584 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cc1Cl ZINC001232114530 1035103691 /nfs/dbraw/zinc/10/36/91/1035103691.db2.gz LHVICADTAWOAEC-JOCHJYFZSA-N 1 0 394.906 3.621 20 30 GHEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3ncccc3Br)CC2)C1=O ZINC001277619880 1035126541 /nfs/dbraw/zinc/12/65/41/1035126541.db2.gz YIGSGVUCRLQCDV-IBGZPJMESA-N 1 0 392.341 3.625 20 30 GHEDRO [NH3+][C@H](CC(=O)N1CCC(C#Cc2ccccc2)CC1)Cc1c[nH]c2ccccc12 ZINC001161150838 1035160077 /nfs/dbraw/zinc/16/00/77/1035160077.db2.gz NNIBZFSGDZTWHI-QFIPXVFZSA-N 1 0 385.511 3.718 20 30 GHEDRO N#C[C@@H](c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nn1)c1ccccc1F ZINC001161186747 1035170456 /nfs/dbraw/zinc/17/04/56/1035170456.db2.gz QHQAVIGGEUFLPZ-PKOBYXMFSA-N 1 0 379.483 3.948 20 30 GHEDRO C=CCN(C(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC001161248456 1035192250 /nfs/dbraw/zinc/19/22/50/1035192250.db2.gz ZSUBBVNUGYIIRM-XMSQKQJNSA-N 1 0 381.520 3.854 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCCc4cccnc4)C3)C2)c1 ZINC001209176291 1035200921 /nfs/dbraw/zinc/20/09/21/1035200921.db2.gz IDDKZAPYZHLKTH-XMMPIXPASA-N 1 0 390.531 3.505 20 30 GHEDRO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](c4ccccc4)[NH2+]C3)C2)cc1 ZINC001161325129 1035208638 /nfs/dbraw/zinc/20/86/38/1035208638.db2.gz WZSVSBBYFLVKJF-WWNPGLIZSA-N 1 0 389.499 3.669 20 30 GHEDRO N#Cc1ccc(C(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001161435220 1035230043 /nfs/dbraw/zinc/23/00/43/1035230043.db2.gz AXNVFERQBLWWAX-UHFFFAOYSA-N 1 0 387.405 3.971 20 30 GHEDRO C[C@H](c1ccccc1)N(C(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2)C1=CC(=O)CCC1 ZINC001161510256 1035245380 /nfs/dbraw/zinc/24/53/80/1035245380.db2.gz VYYAESPBODPYCL-DRMXPCRNSA-N 1 0 396.531 3.762 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CCCCCNC(=O)OC(C)(C)C)CCO2 ZINC001209372724 1035258596 /nfs/dbraw/zinc/25/85/96/1035258596.db2.gz HDTQDBONJFFNHJ-SIKLNZKXSA-N 1 0 396.572 3.755 20 30 GHEDRO C#C[C@](C)([NH3+])C(=O)N([C@H](C)c1ccccc1)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001161603653 1035270812 /nfs/dbraw/zinc/27/08/12/1035270812.db2.gz IEYMCIHDQZLTHX-VPJOFFEXSA-N 1 0 376.500 3.675 20 30 GHEDRO C=CCCCCC[NH+]1CCC2(CC1)c1ncc(-c3cnn(C)c3)n1CCN2CC ZINC001209423062 1035271974 /nfs/dbraw/zinc/27/19/74/1035271974.db2.gz NDJQDBZLNYKQOM-UHFFFAOYSA-N 1 0 396.583 3.657 20 30 GHEDRO C=CCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC2CCOCC2)C1 ZINC001209437511 1035273700 /nfs/dbraw/zinc/27/37/00/1035273700.db2.gz MQNCNVJNPKWVEF-FQEVSTJZSA-N 1 0 375.557 3.899 20 30 GHEDRO C=CCCCCCCCC[N@@H+]1CCC[C@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001209442740 1035274884 /nfs/dbraw/zinc/27/48/84/1035274884.db2.gz DHFJJAWYETXJMS-JTHBVZDNSA-N 1 0 392.584 3.633 20 30 GHEDRO C=CCCCCCCCCN1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001209442635 1035275280 /nfs/dbraw/zinc/27/52/80/1035275280.db2.gz AHSXWCDTAJBWIG-OAQYLSRUSA-N 1 0 387.616 3.924 20 30 GHEDRO CC[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001461957501 1069914633 /nfs/dbraw/zinc/91/46/33/1069914633.db2.gz WPSHITSLSTXDOP-HXUWFJFHSA-N 1 0 393.531 3.852 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(C)[nH]c3ncccc31)CC2 ZINC001209587852 1035319800 /nfs/dbraw/zinc/31/98/00/1035319800.db2.gz ZJATZKVTTWBXHO-UHFFFAOYSA-N 1 0 382.508 3.872 20 30 GHEDRO C#CC[N@@H+](CCC(C)(C)C(=O)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC001461984944 1069930089 /nfs/dbraw/zinc/93/00/89/1069930089.db2.gz ABUJEWSFFLTOGL-MRXNPFEDSA-N 1 0 394.309 3.797 20 30 GHEDRO N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3cccc(F)c3C(F)(F)F)no2)cc1 ZINC001248155220 1035581538 /nfs/dbraw/zinc/58/15/38/1035581538.db2.gz JQOAMZPORGUIIQ-CYBMUJFWSA-N 1 0 390.340 3.879 20 30 GHEDRO N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3cccc(C(F)(F)F)c3F)no2)cc1 ZINC001248157292 1035584427 /nfs/dbraw/zinc/58/44/27/1035584427.db2.gz OPUCUXVMHFHXRD-ZDUSSCGKSA-N 1 0 390.340 3.879 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(-c2nc3c(cc2C#N)CCCC3(C)C)cc1 ZINC001241768853 1035689105 /nfs/dbraw/zinc/68/91/05/1035689105.db2.gz WOQXEFLZZKPGHW-UHFFFAOYSA-N 1 0 376.504 3.526 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ncc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cn1 ZINC001241853141 1035722809 /nfs/dbraw/zinc/72/28/09/1035722809.db2.gz FZDSHUBJSOYJPP-UHFFFAOYSA-N 1 0 379.464 3.635 20 30 GHEDRO N#Cc1ccc(-c2ccc(-c3noc([C@H]4CCCN([C@H]5CC[NH2+]C5)C4)n3)cc2)cc1 ZINC001248312866 1035746695 /nfs/dbraw/zinc/74/66/95/1035746695.db2.gz CLELBLDGXSRGBJ-VXKWHMMOSA-N 1 0 399.498 3.817 20 30 GHEDRO N#C/N=C1\SCCN1Cc1ccc(-c2cccc(C[NH+]3CCCC3)c2)nc1 ZINC001242117564 1035819043 /nfs/dbraw/zinc/81/90/43/1035819043.db2.gz FYZONSLXBGYXJD-FLFQWRMESA-N 1 0 377.517 3.730 20 30 GHEDRO C[NH+](C)CCOc1ccc(-c2ccc([C@@H](C#N)c3ccccc3F)nn2)cc1 ZINC001242148517 1035831832 /nfs/dbraw/zinc/83/18/32/1035831832.db2.gz DDFZVTGSSCTVBK-IBGZPJMESA-N 1 0 376.435 3.879 20 30 GHEDRO C[C@@H]1CC(=O)C=C(c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)C1 ZINC001242740852 1035952633 /nfs/dbraw/zinc/95/26/33/1035952633.db2.gz TVFFCKSSGSIJEP-DOTOQJQBSA-N 1 0 378.476 3.579 20 30 GHEDRO COc1ccc(COc2cc(C#N)cc(-c3ncc(C)c(C4C[NH2+]C4)n3)c2)cc1 ZINC001242769819 1035955111 /nfs/dbraw/zinc/95/51/11/1035955111.db2.gz NWBURFJTLLADRD-UHFFFAOYSA-N 1 0 386.455 3.598 20 30 GHEDRO COc1ccc(COc2cc(C#N)cc(-c3ccc4c(n3)OCC[NH2+]C4)c2)cc1 ZINC001242771393 1035957133 /nfs/dbraw/zinc/95/71/33/1035957133.db2.gz WAFSTTMGWDOLNF-UHFFFAOYSA-N 1 0 387.439 3.690 20 30 GHEDRO N#CC1(c2cccnc2-c2cncc(CO)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001242968890 1036002382 /nfs/dbraw/zinc/00/23/82/1036002382.db2.gz QQCDVFXJQLCYSW-UHFFFAOYSA-N 1 0 384.483 3.693 20 30 GHEDRO CSc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1C#N ZINC001248681420 1036049793 /nfs/dbraw/zinc/04/97/93/1036049793.db2.gz GZOOUDUFZBROAS-UHFFFAOYSA-N 1 0 394.544 3.698 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001248750712 1036108334 /nfs/dbraw/zinc/10/83/34/1036108334.db2.gz SYUVBDRAVJTCKQ-DEOSSOPVSA-N 1 0 388.515 3.673 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc(COC[C@H]4CCC[NH2+]4)n3)cc2)cc1 ZINC001248878098 1036216926 /nfs/dbraw/zinc/21/69/26/1036216926.db2.gz CKNKZUUVNLFHLK-QGZVFWFLSA-N 1 0 376.416 3.669 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1ncc(C)cc1C#C[Si](C)(C)C ZINC001244284036 1036459223 /nfs/dbraw/zinc/45/92/23/1036459223.db2.gz POJWMQRVEJFYIE-UHFFFAOYSA-N 1 0 379.580 3.704 20 30 GHEDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc([C@H](C#N)c2ccc(C)cc2)nn1 ZINC001244286273 1036460126 /nfs/dbraw/zinc/46/01/26/1036460126.db2.gz QPVWOJBUXFIYQY-OAQYLSRUSA-N 1 0 399.498 3.526 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC001462120456 1070012365 /nfs/dbraw/zinc/01/23/65/1070012365.db2.gz JZQHOTYEAQFEBQ-PXNSSMCTSA-N 1 0 393.506 3.859 20 30 GHEDRO N#C/N=C1\SCCN1Cc1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)nc1 ZINC001245523331 1036944207 /nfs/dbraw/zinc/94/42/07/1036944207.db2.gz FJIMSQDDIIXKBS-DAFNUICNSA-N 1 0 377.517 3.601 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CCC([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC001245742829 1036986492 /nfs/dbraw/zinc/98/64/92/1036986492.db2.gz LKIINKHMVXSUOZ-UHFFFAOYSA-N 1 0 382.455 3.834 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246037146 1037151736 /nfs/dbraw/zinc/15/17/36/1037151736.db2.gz WOVSEQYWFIGICJ-YTFSRNRJSA-N 1 0 398.632 3.725 20 30 GHEDRO CCOC(=O)[C@@H]1C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)CCN1 ZINC001246891778 1037706237 /nfs/dbraw/zinc/70/62/37/1037706237.db2.gz PJPQBUKYHLYTRU-LEOXJPRUSA-N 1 0 391.515 3.805 20 30 GHEDRO N#Cc1ccc(Oc2ccc(-c3noc(C[C@@H]([NH3+])Cc4ccncc4)n3)cc2)cc1 ZINC001247157611 1037953582 /nfs/dbraw/zinc/95/35/82/1037953582.db2.gz MHKGKUMTJKQHJW-IBGZPJMESA-N 1 0 397.438 3.908 20 30 GHEDRO CCCCCCCCNC(=S)N1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001247159390 1037954797 /nfs/dbraw/zinc/95/47/97/1037954797.db2.gz ROMDRADDUKXWBP-SFHVURJKSA-N 1 0 397.629 3.571 20 30 GHEDRO C=CCOC[C@H]1CCC[C@@]12CN(Cc1cc(Cl)c(OC)cc1O)CCO2 ZINC001232265381 1037986633 /nfs/dbraw/zinc/98/66/33/1037986633.db2.gz UWFDZQHJBOBPHZ-OXQOHEQNSA-N 1 0 381.900 3.628 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(Br)nc1C)CC2 ZINC001232320896 1038088768 /nfs/dbraw/zinc/08/87/68/1038088768.db2.gz JPYRARFLJMIVSY-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO CSc1cc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cn1 ZINC001232345368 1038124799 /nfs/dbraw/zinc/12/47/99/1038124799.db2.gz CWVLTVQSXZFCLV-QFIPXVFZSA-N 1 0 392.528 3.613 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1OC(C)C)C2 ZINC001232392901 1038176640 /nfs/dbraw/zinc/17/66/40/1038176640.db2.gz QQZZQQFVPASSPZ-IFMALSPDSA-N 1 0 375.509 3.809 20 30 GHEDRO C=CCC[C@@H](N)c1nc(-c2ccccc2CS(=O)(=O)c2ccccc2)no1 ZINC001247622138 1038278852 /nfs/dbraw/zinc/27/88/52/1038278852.db2.gz GSJNECXSQCRITQ-GOSISDBHSA-N 1 0 383.473 3.677 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)c(C)s3)CC2)C1=O ZINC001277679250 1038309211 /nfs/dbraw/zinc/30/92/11/1038309211.db2.gz IYARLRANCFMVJK-GOSISDBHSA-N 1 0 395.366 3.657 20 30 GHEDRO N#Cc1cc(Cl)c(-c2noc([C@@H]3C[NH2+]C[C@H]3C(F)(F)F)n2)cc1Cl ZINC001247795352 1038385946 /nfs/dbraw/zinc/38/59/46/1038385946.db2.gz NXXRWPMFFJZBBZ-RKDXNWHRSA-N 1 0 377.153 3.780 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232819226 1038572900 /nfs/dbraw/zinc/57/29/00/1038572900.db2.gz VQGXYAWBEMSHIO-HXUWFJFHSA-N 1 0 388.899 3.827 20 30 GHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(OC)c(C)cc3OC)C2)C1 ZINC001232834596 1038587855 /nfs/dbraw/zinc/58/78/55/1038587855.db2.gz YTKHCLUYAZDJQU-QFIPXVFZSA-N 1 0 388.508 3.623 20 30 GHEDRO N#Cc1ccc(CN2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC001232843583 1038594853 /nfs/dbraw/zinc/59/48/53/1038594853.db2.gz RGLLOSKJYPMBFR-LJQANCHMSA-N 1 0 388.487 3.748 20 30 GHEDRO N#Cc1ccc(C[N@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)s1 ZINC001232843657 1038595298 /nfs/dbraw/zinc/59/52/98/1038595298.db2.gz UCYLTWIPPTVMPS-LJQANCHMSA-N 1 0 399.491 3.626 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1=O ZINC001232883983 1038666885 /nfs/dbraw/zinc/66/68/85/1038666885.db2.gz CHXVMNKJHOLCOQ-QHCPKHFHSA-N 1 0 379.479 3.888 20 30 GHEDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(C)cc4C#N)C3)CC2=O)cc1 ZINC001232963551 1038738027 /nfs/dbraw/zinc/73/80/27/1038738027.db2.gz JEJKQZHNLLWJBV-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(F)c(F)c3Br)C2)C1=O ZINC001277753511 1038801742 /nfs/dbraw/zinc/80/17/42/1038801742.db2.gz QSQCHWIRXNBSKW-SFHVURJKSA-N 1 0 399.279 3.728 20 30 GHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001233079221 1038845332 /nfs/dbraw/zinc/84/53/32/1038845332.db2.gz AGINKELEMNSNTE-FYYLOGMGSA-N 1 0 377.488 3.712 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001252127827 1038877960 /nfs/dbraw/zinc/87/79/60/1038877960.db2.gz FQCDYLWBMJQCCF-IBGZPJMESA-N 1 0 377.573 3.816 20 30 GHEDRO COC[C@H](C)N(Cc1cccc(OC)c1)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102084 1038879558 /nfs/dbraw/zinc/87/95/58/1038879558.db2.gz OEPHWELOBKARRG-INIZCTEOSA-N 1 0 385.483 3.809 20 30 GHEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC001252128094 1038881592 /nfs/dbraw/zinc/88/15/92/1038881592.db2.gz IMAVGWCFZWHUOJ-NHCUHLMSSA-N 1 0 387.568 3.631 20 30 GHEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccnc2)CC1 ZINC001252139276 1038889447 /nfs/dbraw/zinc/88/94/47/1038889447.db2.gz LOKQBOOXJDITTL-ACRUOGEOSA-N 1 0 375.557 3.824 20 30 GHEDRO C[C@@](O)(C[NH+]1CCC2(CCC2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252317272 1038940693 /nfs/dbraw/zinc/94/06/93/1038940693.db2.gz PBZDBJUJVRGEAR-GOSISDBHSA-N 1 0 395.425 3.533 20 30 GHEDRO CCCC(CCC)[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252339804 1038946258 /nfs/dbraw/zinc/94/62/58/1038946258.db2.gz KQWQDOUUKSNLFA-GOSISDBHSA-N 1 0 385.430 3.825 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(O)c(OCC3CC3)c1)C2 ZINC001233226556 1038986543 /nfs/dbraw/zinc/98/65/43/1038986543.db2.gz OLAVPHOCPKWXNI-XZOQPEGZSA-N 1 0 387.520 3.755 20 30 GHEDRO C=C[C@@](C)(O)C[NH2+]C1(Cc2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001252583035 1039038208 /nfs/dbraw/zinc/03/82/08/1039038208.db2.gz BSTFYMWXBMDUHC-OAQYLSRUSA-N 1 0 392.515 3.665 20 30 GHEDRO C=CCC[C@H](O)CNc1cc(C)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252592166 1039039270 /nfs/dbraw/zinc/03/92/70/1039039270.db2.gz MPHRPHKUDASLAU-QFIPXVFZSA-N 1 0 382.552 3.843 20 30 GHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2CC ZINC001252596786 1039041581 /nfs/dbraw/zinc/04/15/81/1039041581.db2.gz UXMQKPGBHUXTGV-OAQYLSRUSA-N 1 0 394.563 3.504 20 30 GHEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2nsc(NC(C)=O)c2-c2ccccc2)C1 ZINC001252604205 1039045295 /nfs/dbraw/zinc/04/52/95/1039045295.db2.gz OYXRKTZIULVPCZ-ZWKOTPCHSA-N 1 0 385.533 3.885 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]2CC ZINC001233288238 1039067238 /nfs/dbraw/zinc/06/72/38/1039067238.db2.gz CWDWSNAGWOSIOU-RXVVDRJESA-N 1 0 392.927 3.976 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc3cccc(Cl)n13)C2 ZINC001233356996 1039177136 /nfs/dbraw/zinc/17/71/36/1039177136.db2.gz GOCSIISLFDLHOY-XLIONFOSSA-N 1 0 375.900 3.561 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)c(F)cc1N)CC2 ZINC001233377969 1039201766 /nfs/dbraw/zinc/20/17/66/1039201766.db2.gz AQQDYFWOSONTSW-UHFFFAOYSA-N 1 0 379.451 3.548 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252938415 1039281250 /nfs/dbraw/zinc/28/12/50/1039281250.db2.gz NWDYEFXZMCCXJF-LJQANCHMSA-N 1 0 375.394 3.626 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c[nH]c(Br)c3)CC2)C1 ZINC001233434169 1039309259 /nfs/dbraw/zinc/30/92/59/1039309259.db2.gz DPICYJSATBBZFJ-UHFFFAOYSA-N 1 0 396.329 3.778 20 30 GHEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H](CO)c1cccc(S(C)(=O)=O)c1 ZINC001252990161 1039317514 /nfs/dbraw/zinc/31/75/14/1039317514.db2.gz WSHQZRNYDQFNNV-FPOVZHCZSA-N 1 0 399.597 3.605 20 30 GHEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001233510379 1039400489 /nfs/dbraw/zinc/40/04/89/1039400489.db2.gz LMAXXXBFOKELBU-XJKSGUPXSA-N 1 0 376.382 3.971 20 30 GHEDRO C=CCCCCCC[C@H](O)CNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC001253232765 1039486609 /nfs/dbraw/zinc/48/66/09/1039486609.db2.gz SDZVZMDVLRRVJA-SCTDSRPQSA-N 1 0 376.545 3.698 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001253236999 1039493357 /nfs/dbraw/zinc/49/33/57/1039493357.db2.gz HGJVXZKFOUBKEJ-OAQYLSRUSA-N 1 0 387.568 3.640 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001253237730 1039493367 /nfs/dbraw/zinc/49/33/67/1039493367.db2.gz MJHYSDPHRXVIDA-RBBKRZOGSA-N 1 0 375.557 3.629 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CC2(C1)CCN(Cc1csc(C)n1)C2 ZINC001253239212 1039496322 /nfs/dbraw/zinc/49/63/22/1039496322.db2.gz WIEKAZCAWKGGAI-HXUWFJFHSA-N 1 0 377.598 3.847 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2C)CC1 ZINC001253238858 1039497157 /nfs/dbraw/zinc/49/71/57/1039497157.db2.gz UEQGAZUHYAOLHX-FCHUYYIVSA-N 1 0 399.579 3.749 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001253242162 1039498383 /nfs/dbraw/zinc/49/83/83/1039498383.db2.gz HSUJZKOLMIDVKF-RTBURBONSA-N 1 0 376.516 3.907 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(NC(=O)c2ccccc2OC)CC1 ZINC001253243783 1039499845 /nfs/dbraw/zinc/49/98/45/1039499845.db2.gz ZKHPHVYOGIELSZ-HXUWFJFHSA-N 1 0 388.552 3.777 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001253254207 1039504807 /nfs/dbraw/zinc/50/48/07/1039504807.db2.gz ABWHDAJDGMAEOQ-KNKQGSTJSA-N 1 0 396.572 3.632 20 30 GHEDRO C[C@H](CS)Oc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001233830946 1039652298 /nfs/dbraw/zinc/65/22/98/1039652298.db2.gz NMXRXASPLBXBPD-OAHLLOKOSA-N 1 0 380.554 3.873 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1cn[nH]c1 ZINC001253614512 1039725522 /nfs/dbraw/zinc/72/55/22/1039725522.db2.gz QFAUHHITQFVGLO-NRFANRHFSA-N 1 0 383.577 3.814 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC001253616600 1039728602 /nfs/dbraw/zinc/72/86/02/1039728602.db2.gz HDXPNVZPEOGTOB-VXKWHMMOSA-N 1 0 387.605 3.662 20 30 GHEDRO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)c2csc(Cl)c2)cc1C#N ZINC001277844149 1039952623 /nfs/dbraw/zinc/95/26/23/1039952623.db2.gz PJGWGJCBPXMBJZ-MQVJKMGUSA-N 1 0 388.924 3.537 20 30 GHEDRO N#Cc1cccc2nc(=O)[nH]c(O[C@@H]3CC[N@@H+](Cc4ccccc4Cl)C3)c12 ZINC001234512190 1040090400 /nfs/dbraw/zinc/09/04/00/1040090400.db2.gz AIDPDKKGTVKCTO-OAHLLOKOSA-N 1 0 380.835 3.514 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001254295502 1040145281 /nfs/dbraw/zinc/14/52/81/1040145281.db2.gz NJVRMHQNVICWAF-GOSISDBHSA-N 1 0 382.508 3.976 20 30 GHEDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(C#N)c(Br)c3)C2)C1=O ZINC001277867865 1040153611 /nfs/dbraw/zinc/15/36/11/1040153611.db2.gz QQTWORIHZRHYCF-LIRRHRJNSA-N 1 0 390.325 3.544 20 30 GHEDRO CS(=O)(=O)c1ccc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)cc1 ZINC001254345405 1040178959 /nfs/dbraw/zinc/17/89/59/1040178959.db2.gz AKWLNICAMHCWGF-UHFFFAOYSA-N 1 0 386.492 3.723 20 30 GHEDRO COc1cc(O[C@H]2C[NH+]3CCC2CC3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001234790289 1040320625 /nfs/dbraw/zinc/32/06/25/1040320625.db2.gz QHVPSARNHCESQJ-YNYHDPJCSA-N 1 0 379.456 3.770 20 30 GHEDRO CCOC(OCC)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC001234891486 1040405773 /nfs/dbraw/zinc/40/57/73/1040405773.db2.gz AVKJZRRIYJODEN-UHFFFAOYSA-N 1 0 379.504 3.952 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)C1 ZINC001254664623 1040426454 /nfs/dbraw/zinc/42/64/54/1040426454.db2.gz IVYJZBKKMMXZMU-RTBURBONSA-N 1 0 375.516 3.732 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)C1 ZINC001254665045 1040426850 /nfs/dbraw/zinc/42/68/50/1040426850.db2.gz LKEYWODCNZZCOK-WHOZBFMKSA-N 1 0 386.499 3.596 20 30 GHEDRO CCCCCCCCOc1ccc(CN2CCO[C@]3(C2)C[NH2+]CCOC3)cc1 ZINC001234996730 1040492839 /nfs/dbraw/zinc/49/28/39/1040492839.db2.gz CYUDTKFSXXILGB-QHCPKHFHSA-N 1 0 390.568 3.617 20 30 GHEDRO N#Cc1ccc(CC2CC[NH+](Cc3cccc(N4CCOCC4)c3)CC2)cc1 ZINC001235082634 1040568457 /nfs/dbraw/zinc/56/84/57/1040568457.db2.gz KQXLLNSEBVZDFY-UHFFFAOYSA-N 1 0 375.516 3.850 20 30 GHEDRO COCCc1ccc(OC[C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1 ZINC001462482224 1070290351 /nfs/dbraw/zinc/29/03/51/1070290351.db2.gz BYLJWBLBNQIUFH-IBGZPJMESA-N 1 0 393.531 3.773 20 30 GHEDRO N#Cc1ccc(N2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC001255144103 1040855144 /nfs/dbraw/zinc/85/51/44/1040855144.db2.gz LZRHNTVIGKQGTI-LNWKWYTESA-N 1 0 386.543 3.876 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377410 1040889579 /nfs/dbraw/zinc/88/95/79/1040889579.db2.gz SPRVSLQBEQDQAU-RTWAWAEBSA-N 1 0 396.332 3.900 20 30 GHEDRO CN(C)c1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(F)c1C#N ZINC001235378296 1040892827 /nfs/dbraw/zinc/89/28/27/1040892827.db2.gz CMFHWRWPYROJJH-RDPSFJRHSA-N 1 0 392.522 3.517 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3ccccc3CC#N)C[C@@H]2CF)CC1 ZINC001235517503 1040972531 /nfs/dbraw/zinc/97/25/31/1040972531.db2.gz YNGYLJZVJBNPJI-OALUTQOASA-N 1 0 387.499 3.827 20 30 GHEDRO N#CCc1ccccc1C[N@@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001235530194 1040977767 /nfs/dbraw/zinc/97/77/67/1040977767.db2.gz SJCULZBKRMMLGZ-FGZHOGPDSA-N 1 0 375.472 3.738 20 30 GHEDRO C=CCCc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)c(=O)[nH]1 ZINC001255468137 1041070852 /nfs/dbraw/zinc/07/08/52/1041070852.db2.gz DFRAKPYEKIGKTA-KRWDZBQOSA-N 1 0 376.460 3.945 20 30 GHEDRO N#Cc1cc(F)c(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c(F)c1 ZINC001235653262 1041099066 /nfs/dbraw/zinc/09/90/66/1041099066.db2.gz GMOBIHCCXOGFNE-QFIPXVFZSA-N 1 0 399.416 3.600 20 30 GHEDRO CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC001462524912 1070327883 /nfs/dbraw/zinc/32/78/83/1070327883.db2.gz CXCYMADZWBGFLL-FQEVSTJZSA-N 1 0 396.535 3.955 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cnc(Br)c(C)c1)C2 ZINC001235823924 1041342474 /nfs/dbraw/zinc/34/24/74/1041342474.db2.gz NXIKJJBZRVPGPF-IBGZPJMESA-N 1 0 392.341 3.686 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cnc(Br)c(C)c1)C2 ZINC001235824216 1041342637 /nfs/dbraw/zinc/34/26/37/1041342637.db2.gz QOTSSZOEKDKFPK-MJGOQNOKSA-N 1 0 395.341 3.726 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccnc(OC)c1Cl)[C@H]2CC ZINC001235835094 1041360995 /nfs/dbraw/zinc/36/09/95/1041360995.db2.gz OBPJLNRMKYYTQF-JXFKEZNVSA-N 1 0 377.916 3.665 20 30 GHEDRO COc1cc(N2CCC([NH2+]C(C)(C)c3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC001256084456 1041515230 /nfs/dbraw/zinc/51/52/30/1041515230.db2.gz DIHVFRKRGVGGCH-UHFFFAOYSA-N 1 0 394.475 3.969 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3cccc(Br)c3)C2)C1=O ZINC001256182080 1041627020 /nfs/dbraw/zinc/62/70/20/1041627020.db2.gz HUVSYPBOVNPJAA-OXJNMPFZSA-N 1 0 391.353 3.881 20 30 GHEDRO C[C@@H]1CNCC(F)(F)[C@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001236314824 1041668628 /nfs/dbraw/zinc/66/86/28/1041668628.db2.gz OCSCXCSIBQNUDX-VGSWGCGISA-N 1 0 394.469 3.923 20 30 GHEDRO N#Cc1ccc(N2CCC[N@@H+](C3CCN(c4ccc(Cl)cc4)CC3)CC2)nc1 ZINC001256313701 1041698237 /nfs/dbraw/zinc/69/82/37/1041698237.db2.gz AYVZODMJPATXAR-UHFFFAOYSA-N 1 0 395.938 3.788 20 30 GHEDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)n1 ZINC001236640073 1041798349 /nfs/dbraw/zinc/79/83/49/1041798349.db2.gz SVHOSSIODNTILU-NRFANRHFSA-N 1 0 380.879 3.544 20 30 GHEDRO C=CCOCc1ncn2c1CN(Cc1ccc(O)cc1OC(F)(F)F)CCC2 ZINC001236724806 1041858609 /nfs/dbraw/zinc/85/86/09/1041858609.db2.gz SEAXOODDYRKQGJ-UHFFFAOYSA-N 1 0 397.397 3.596 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(C(=O)OC)c1)[C@@H]2CC ZINC001236773593 1041884203 /nfs/dbraw/zinc/88/42/03/1041884203.db2.gz PEXXFUIWISVKJZ-KNQAVFIVSA-N 1 0 388.483 3.534 20 30 GHEDRO N#Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)cc1Br ZINC001236859917 1041931647 /nfs/dbraw/zinc/93/16/47/1041931647.db2.gz KKTOENFFMJINON-ROUUACIJSA-N 1 0 380.305 3.719 20 30 GHEDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(Br)c1 ZINC001236863313 1041932942 /nfs/dbraw/zinc/93/29/42/1041932942.db2.gz IBKOEQXNTMPCRN-UHFFFAOYSA-N 1 0 387.277 3.886 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(-n3cccn3)c(Cl)c1)CC2 ZINC001236899009 1041945446 /nfs/dbraw/zinc/94/54/46/1041945446.db2.gz QOZOOKYZMRWAPL-UHFFFAOYSA-N 1 0 384.911 3.669 20 30 GHEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)c(Cl)c1)C2 ZINC001236909948 1041952464 /nfs/dbraw/zinc/95/24/64/1041952464.db2.gz VJOKPJYCOAIREK-WIYYLYMNSA-N 1 0 387.911 3.852 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](CC4OC=CC4=S)C3)C2)c1 ZINC001237177646 1042079619 /nfs/dbraw/zinc/07/96/19/1042079619.db2.gz DPGURSPEHTWUNL-NRFANRHFSA-N 1 0 383.517 3.559 20 30 GHEDRO Cn1cc(C[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237466181 1042219333 /nfs/dbraw/zinc/21/93/33/1042219333.db2.gz KRRJOGPMQNQUTR-JOCHJYFZSA-N 1 0 382.508 3.929 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)ccn1 ZINC001237465842 1042219843 /nfs/dbraw/zinc/21/98/43/1042219843.db2.gz VRPZULHEAAYUOE-UHFFFAOYSA-N 1 0 380.517 3.533 20 30 GHEDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cn(C)c3ccc(C#N)cc13)CC2 ZINC001237467381 1042220379 /nfs/dbraw/zinc/22/03/79/1042220379.db2.gz COBHUPOLESBMHH-HXUWFJFHSA-N 1 0 381.520 3.705 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2cc(C#N)ccc21 ZINC001237468810 1042221283 /nfs/dbraw/zinc/22/12/83/1042221283.db2.gz QAYXFVNIKMBCAT-XLIONFOSSA-N 1 0 394.519 3.881 20 30 GHEDRO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237756261 1042355860 /nfs/dbraw/zinc/35/58/60/1042355860.db2.gz ZDANIRKLAKRSJT-QFIPXVFZSA-N 1 0 383.923 3.935 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(-c3ccccn3)n1)C2 ZINC001237834895 1042393322 /nfs/dbraw/zinc/39/33/22/1042393322.db2.gz TUVWSISDMQSSSM-DHIUTWEWSA-N 1 0 379.504 3.717 20 30 GHEDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]12 ZINC001238082887 1042485618 /nfs/dbraw/zinc/48/56/18/1042485618.db2.gz MWABIRBODABCNQ-XZOQPEGZSA-N 1 0 393.918 3.976 20 30 GHEDRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(C#N)cc4Cl)C3)CC2=O)c1 ZINC001238084250 1042486411 /nfs/dbraw/zinc/48/64/11/1042486411.db2.gz NYGNQMKZPXKGGS-QFIPXVFZSA-N 1 0 390.874 3.712 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3ccc(Cl)c(C#N)c3)C2)C1 ZINC001238189436 1042513830 /nfs/dbraw/zinc/51/38/30/1042513830.db2.gz QZNVVMNMILHWDO-HNNXBMFYSA-N 1 0 375.900 3.900 20 30 GHEDRO COCC[N@H+](Cc1ccc(Cl)c(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001238195010 1042516016 /nfs/dbraw/zinc/51/60/16/1042516016.db2.gz ANTLKPYRDSYRPI-QGZVFWFLSA-N 1 0 393.915 3.669 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)ccc1Cl ZINC001238196817 1042516696 /nfs/dbraw/zinc/51/66/96/1042516696.db2.gz VTIKMUYGDFYDAP-UHFFFAOYSA-N 1 0 385.817 3.588 20 30 GHEDRO CCCCCCCCCCCCS(=O)(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001238527115 1042629606 /nfs/dbraw/zinc/62/96/06/1042629606.db2.gz HSOLITORRZERIB-UHFFFAOYSA-N 1 0 398.617 3.717 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(F)cc(N3CCCC3)c1)CC2 ZINC001238703038 1042691987 /nfs/dbraw/zinc/69/19/87/1042691987.db2.gz XQFICKCYANNLDL-HSZRJFAPSA-N 1 0 385.527 3.959 20 30 GHEDRO N#Cc1ccc(Cl)cc1S(=O)(=O)N1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001238994389 1042756184 /nfs/dbraw/zinc/75/61/84/1042756184.db2.gz IHSQGLMZVUYSJT-UHFFFAOYSA-N 1 0 395.956 3.536 20 30 GHEDRO CC[NH+](CC)CCn1cc(-c2nc(-c3ccccc3)nc(SC)c2C#N)cn1 ZINC001239193877 1042784141 /nfs/dbraw/zinc/78/41/41/1042784141.db2.gz AVIHLKTXZFRTOY-UHFFFAOYSA-N 1 0 392.532 3.942 20 30 GHEDRO N#Cc1cccc(NC(=O)NC2(c3ccc(Br)cc3)CC[NH2+]CC2)c1 ZINC001239221668 1042789199 /nfs/dbraw/zinc/78/91/99/1042789199.db2.gz LBAXMOLBYQNGKD-UHFFFAOYSA-N 1 0 399.292 3.721 20 30 GHEDRO C=CCCCNC(=S)NCC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001239385287 1042818765 /nfs/dbraw/zinc/81/87/65/1042818765.db2.gz VZLSKIOIOCHVEK-UHFFFAOYSA-N 1 0 385.499 3.757 20 30 GHEDRO F[C@@H]1CC[NH2+]C[C@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001239399247 1042823275 /nfs/dbraw/zinc/82/32/75/1042823275.db2.gz GFPBBLCKBBNKBC-GHMZBOCLSA-N 1 0 389.340 3.711 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[NH2+]C[C@H]2c2ccccc2)cc1C(F)(F)F ZINC001239417431 1042824831 /nfs/dbraw/zinc/82/48/31/1042824831.db2.gz UIAOOTVWLPWULF-KRWDZBQOSA-N 1 0 390.434 3.920 20 30 GHEDRO N#Cc1ccc(NC(=S)N2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001239434502 1042828906 /nfs/dbraw/zinc/82/89/06/1042828906.db2.gz RHGMUPJUWVLYHS-KNQAVFIVSA-N 1 0 376.529 3.508 20 30 GHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240386320 1042924523 /nfs/dbraw/zinc/92/45/23/1042924523.db2.gz KVEWDDOOMVBDAS-IBGZPJMESA-N 1 0 398.466 3.699 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001291102172 1043079273 /nfs/dbraw/zinc/07/92/73/1043079273.db2.gz IOQAQIDBHAIYSK-DLBZAZTESA-N 1 0 383.544 3.522 20 30 GHEDRO C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001291113463 1043085760 /nfs/dbraw/zinc/08/57/60/1043085760.db2.gz FQRKLEJLFWNNBR-LJQANCHMSA-N 1 0 392.551 3.929 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC001291142916 1043106730 /nfs/dbraw/zinc/10/67/30/1043106730.db2.gz NXHYNGYCTOJNCU-MOPGFXCFSA-N 1 0 392.551 3.926 20 30 GHEDRO C#CCN(CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C(=O)OC(C)(C)C ZINC001291584430 1043349985 /nfs/dbraw/zinc/34/99/85/1043349985.db2.gz DMQITYKIVKOAPW-GOSISDBHSA-N 1 0 399.535 3.870 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 ZINC001291762942 1043449279 /nfs/dbraw/zinc/44/92/79/1043449279.db2.gz UMTUJVJQDYEBNG-KRWDZBQOSA-N 1 0 392.507 3.776 20 30 GHEDRO C[C@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC001256553163 1043520607 /nfs/dbraw/zinc/52/06/07/1043520607.db2.gz GCXJHBQXFWDHAG-REWPJTCUSA-N 1 0 389.547 3.518 20 30 GHEDRO Cc1cc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc(C)c1C#N ZINC001292141235 1043602973 /nfs/dbraw/zinc/60/29/73/1043602973.db2.gz ZANGPQJIRAFZHD-OAQYLSRUSA-N 1 0 389.499 3.893 20 30 GHEDRO C=CC[C@]1(C(=O)NCC[N@@H+](C)C2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001292151784 1043606094 /nfs/dbraw/zinc/60/60/94/1043606094.db2.gz VFAABKWKNYTDHP-JOCHJYFZSA-N 1 0 393.572 3.713 20 30 GHEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CC[C@H](NC(=O)[C@@H]4CCCO4)CC3)CC2)cc1 ZINC001257013278 1043799189 /nfs/dbraw/zinc/79/91/89/1043799189.db2.gz CSVVUVCMNMJSED-VMIXUHJNSA-N 1 0 395.547 3.780 20 30 GHEDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257012976 1043799365 /nfs/dbraw/zinc/79/93/65/1043799365.db2.gz VBUCGJFZUHQVFK-CBNMVNINSA-N 1 0 399.535 3.810 20 30 GHEDRO N#Cc1ccc(C2CCC(n3ccncc3=N[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC001257014146 1043799572 /nfs/dbraw/zinc/79/95/72/1043799572.db2.gz NXCMVLASDZBSAG-LQWXFITISA-N 1 0 375.520 3.824 20 30 GHEDRO N#Cc1ccc(C2CCC([NH+]3CCN(c4nccc(Cl)n4)CC3)CC2)cc1 ZINC001257021153 1043805497 /nfs/dbraw/zinc/80/54/97/1043805497.db2.gz PXRLEPNXEDGHBF-UHFFFAOYSA-N 1 0 381.911 3.850 20 30 GHEDRO C=C(C)COc1cccc(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001292764847 1043866961 /nfs/dbraw/zinc/86/69/61/1043866961.db2.gz CUYBGGKTRLZQPD-QHCPKHFHSA-N 1 0 380.488 3.607 20 30 GHEDRO CC(C)[C@H]1C[C@H]([NH2+]CCOc2ccccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001257174844 1043918280 /nfs/dbraw/zinc/91/82/80/1043918280.db2.gz AVWVGRCZYWBGTN-RTBURBONSA-N 1 0 387.524 3.951 20 30 GHEDRO CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001292878268 1043927332 /nfs/dbraw/zinc/92/73/32/1043927332.db2.gz AJVDSUYXSUGUPU-NRFANRHFSA-N 1 0 392.551 3.756 20 30 GHEDRO CC(C)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CCN1C(=O)OC(C)(C)C ZINC001257193774 1043929120 /nfs/dbraw/zinc/92/91/20/1043929120.db2.gz RMBUJOVUQNXQGC-IXDOHACOSA-N 1 0 380.554 3.685 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(C)C ZINC001292957179 1043964636 /nfs/dbraw/zinc/96/46/36/1043964636.db2.gz AETOSNNBKCFRQU-MRXNPFEDSA-N 1 0 394.441 3.782 20 30 GHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCC(CC#N)CC1 ZINC001293370832 1044140271 /nfs/dbraw/zinc/14/02/71/1044140271.db2.gz LOOVXZMUANLJEP-FQEVSTJZSA-N 1 0 384.572 3.940 20 30 GHEDRO C=C(C)C(=O)OCC[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257764166 1044153427 /nfs/dbraw/zinc/15/34/27/1044153427.db2.gz BIDZYAAAFAUQHU-UHFFFAOYSA-N 1 0 380.529 3.655 20 30 GHEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3OC[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)C[C@H](C1)C2 ZINC001257887141 1044245009 /nfs/dbraw/zinc/24/50/09/1044245009.db2.gz VMRVBOXLZBUHLQ-SEBPLHNXSA-N 1 0 390.568 3.983 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[C@@H](CC(=O)NCc5ccco5)OC[C@H]4C3)C[C@H](C1)C2 ZINC001257891978 1044248100 /nfs/dbraw/zinc/24/81/00/1044248100.db2.gz SSZUZODTGNHACG-NTWVZCHASA-N 1 0 398.547 3.758 20 30 GHEDRO C=C1C[C@@H]2CC(N(c3ccc(C)nn3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)C[C@H](C1)C2 ZINC001257892705 1044249304 /nfs/dbraw/zinc/24/93/04/1044249304.db2.gz BFQGMMYRDCEYHF-OODFZBMISA-N 1 0 382.552 3.637 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3COc4ccc(Cl)cc4C3)C2)C1 ZINC001257956543 1044273182 /nfs/dbraw/zinc/27/31/82/1044273182.db2.gz HQNXTAGXEGBVRC-WIYYLYMNSA-N 1 0 390.911 3.754 20 30 GHEDRO CCCCCCC[C@H](C)[N@H+]1CCc2nc(C(=O)N3CCOCC3)sc2CC1 ZINC001258044711 1044368342 /nfs/dbraw/zinc/36/83/42/1044368342.db2.gz TYGIIPCCRUVXCR-KRWDZBQOSA-N 1 0 393.597 3.765 20 30 GHEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001258047194 1044369787 /nfs/dbraw/zinc/36/97/87/1044369787.db2.gz ISJUUNRMVCEBKM-CNNODRBYSA-N 1 0 388.556 3.579 20 30 GHEDRO CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001294020501 1044425325 /nfs/dbraw/zinc/42/53/25/1044425325.db2.gz FZGQXTXMFUKWCD-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001258228655 1044479363 /nfs/dbraw/zinc/47/93/63/1044479363.db2.gz JFLWCQXUVBJXCM-UXHICEINSA-N 1 0 382.589 3.902 20 30 GHEDRO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)cc1 ZINC001258395898 1044532787 /nfs/dbraw/zinc/53/27/87/1044532787.db2.gz XLLHNHIXJPHEJM-GOSISDBHSA-N 1 0 391.515 3.782 20 30 GHEDRO C#CCN1CCC[C@H]1C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001294284875 1044567197 /nfs/dbraw/zinc/56/71/97/1044567197.db2.gz QCMIQVUQRRFMJZ-IBGZPJMESA-N 1 0 379.331 3.872 20 30 GHEDRO CC1(C)COC2(CCC([NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)CC2)OC1 ZINC001258521450 1044598504 /nfs/dbraw/zinc/59/85/04/1044598504.db2.gz OSUMMRUQPHFVDI-UHFFFAOYSA-N 1 0 397.563 3.824 20 30 GHEDRO CN(C(=O)C(F)(F)c1ccccc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294512063 1044675482 /nfs/dbraw/zinc/67/54/82/1044675482.db2.gz WCIKEJDXTFIYSR-IBGZPJMESA-N 1 0 383.442 3.773 20 30 GHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccco1)C1CC1 ZINC001295833824 1045160113 /nfs/dbraw/zinc/16/01/13/1045160113.db2.gz GVKKEKGTLRJKGT-UHFFFAOYSA-N 1 0 390.491 3.530 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)C[C@@H]1C ZINC001295985191 1045208920 /nfs/dbraw/zinc/20/89/20/1045208920.db2.gz QMRTWDDAFYIKSO-IRXDYDNUSA-N 1 0 378.524 3.536 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC001297373306 1045505056 /nfs/dbraw/zinc/50/50/56/1045505056.db2.gz RBJZYIGXZSJHCS-UHFFFAOYSA-N 1 0 375.513 3.638 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300799837 1046167945 /nfs/dbraw/zinc/16/79/45/1046167945.db2.gz HLDLSXZMPARYNJ-PGRDOPGGSA-N 1 0 380.540 3.530 20 30 GHEDRO N#Cc1cncc(C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)c1 ZINC001262273519 1046231358 /nfs/dbraw/zinc/23/13/58/1046231358.db2.gz ZRQDFSKDZHFQAJ-UHFFFAOYSA-N 1 0 386.293 3.897 20 30 GHEDRO C=C(C)CN(CC)c1nnc(C)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001300899232 1046231388 /nfs/dbraw/zinc/23/13/88/1046231388.db2.gz BQMBKWDMIYYZPZ-UHFFFAOYSA-N 1 0 383.540 3.512 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001300913578 1046238013 /nfs/dbraw/zinc/23/80/13/1046238013.db2.gz XYHUEGBHYOADJE-RTBURBONSA-N 1 0 375.561 3.797 20 30 GHEDRO O=C1C=COC2(CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)C1 ZINC001262377132 1046252955 /nfs/dbraw/zinc/25/29/55/1046252955.db2.gz MSCRYGZZNIQNQM-UHFFFAOYSA-N 1 0 391.393 3.729 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001301078578 1046323391 /nfs/dbraw/zinc/32/33/91/1046323391.db2.gz SKDCLCSYHRWSRP-FQEVSTJZSA-N 1 0 380.540 3.617 20 30 GHEDRO C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001301113969 1046350433 /nfs/dbraw/zinc/35/04/33/1046350433.db2.gz IUENHBRXHKMJCZ-QGZVFWFLSA-N 1 0 383.540 3.981 20 30 GHEDRO C=CC1CCN(c2nnc(-c3cccn3C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001301118826 1046353739 /nfs/dbraw/zinc/35/37/39/1046353739.db2.gz KFQCKXOGWJTDLT-UHFFFAOYSA-N 1 0 384.572 3.805 20 30 GHEDRO C[C@H]1C[C@H](N(C)c2nnc(CCCCC#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC001262867327 1046391178 /nfs/dbraw/zinc/39/11/78/1046391178.db2.gz OHBQZHHPCVSYHO-AZUAARDMSA-N 1 0 380.540 3.541 20 30 GHEDRO C=CCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001301227926 1046416691 /nfs/dbraw/zinc/41/66/91/1046416691.db2.gz XTOGYLMIQMZDPN-UHFFFAOYSA-N 1 0 394.567 3.685 20 30 GHEDRO C=CCn1c([C@@H]2Cc3ccccc3CO2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001262931119 1046429430 /nfs/dbraw/zinc/42/94/30/1046429430.db2.gz DMRKPADNSYEGFD-NRFANRHFSA-N 1 0 395.551 3.589 20 30 GHEDRO C=CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCC[N@H+]1CCC)C1CC1 ZINC001301323852 1046487525 /nfs/dbraw/zinc/48/75/25/1046487525.db2.gz NCIFQOWRBJBLKE-LJQANCHMSA-N 1 0 382.556 3.703 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(Nc2cnn(C)c2)nnc1C(C)(C)C)C(C)C ZINC001301370453 1046512349 /nfs/dbraw/zinc/51/23/49/1046512349.db2.gz CQRFHGHWYKWQCW-SFHVURJKSA-N 1 0 385.560 3.751 20 30 GHEDRO CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001263033344 1046520928 /nfs/dbraw/zinc/52/09/28/1046520928.db2.gz MIENRXLHJZNCEH-IAGOWNOFSA-N 1 0 382.512 3.520 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)c1ccccc1Oc1cccc(Br)c1 ZINC001302294829 1046902876 /nfs/dbraw/zinc/90/28/76/1046902876.db2.gz BMXPZWWATSLFCS-UHFFFAOYSA-N 1 0 387.277 3.536 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC1CC1 ZINC001263742222 1047084498 /nfs/dbraw/zinc/08/44/98/1047084498.db2.gz LVHALBWNWABWPF-IBGZPJMESA-N 1 0 384.572 3.582 20 30 GHEDRO CC(C)C[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001302823179 1047125257 /nfs/dbraw/zinc/12/52/57/1047125257.db2.gz RDAAHEXZUHFZDP-NRFANRHFSA-N 1 0 394.567 3.715 20 30 GHEDRO CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001303031139 1047254515 /nfs/dbraw/zinc/25/45/15/1047254515.db2.gz YJFSNRJTSJNNOD-WIYYLYMNSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001303264121 1047328716 /nfs/dbraw/zinc/32/87/16/1047328716.db2.gz UTIBUMXNNWOZCQ-UXHICEINSA-N 1 0 378.524 3.536 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303626977 1047454708 /nfs/dbraw/zinc/45/47/08/1047454708.db2.gz AUVLYQDPNRBUQY-SFHVURJKSA-N 1 0 382.556 3.836 20 30 GHEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001303744431 1047502678 /nfs/dbraw/zinc/50/26/78/1047502678.db2.gz CIDFXCIEBSUCMH-QRVBRYPASA-N 1 0 392.551 3.641 20 30 GHEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001304295998 1047637445 /nfs/dbraw/zinc/63/74/45/1047637445.db2.gz MJBAFYFIKVDLDS-AEFFLSMTSA-N 1 0 384.528 3.563 20 30 GHEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1)[NH+](C)C ZINC001304975394 1047827729 /nfs/dbraw/zinc/82/77/29/1047827729.db2.gz HGSIYKADELSXLV-GNZRSQJKSA-N 1 0 380.540 3.782 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305020708 1047839325 /nfs/dbraw/zinc/83/93/25/1047839325.db2.gz DGVMGPUXFQDQDQ-MSOLQXFVSA-N 1 0 395.555 3.589 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCCn2c(C3CC3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001305052167 1047860354 /nfs/dbraw/zinc/86/03/54/1047860354.db2.gz ZNBNZUAFQAGQED-GOSISDBHSA-N 1 0 384.572 3.798 20 30 GHEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001305150808 1047918322 /nfs/dbraw/zinc/91/83/22/1047918322.db2.gz VIPHQEBZFHIWOO-RTBURBONSA-N 1 0 392.551 3.785 20 30 GHEDRO CCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001279870720 1047974927 /nfs/dbraw/zinc/97/49/27/1047974927.db2.gz LDAYFYAFXBJSHR-GBESFXJTSA-N 1 0 382.614 3.790 20 30 GHEDRO N#CC1(NC(=O)C2=CC3(CC2)CC[NH+](Cc2scnc2Cl)CC3)CCC1 ZINC001280001096 1048037397 /nfs/dbraw/zinc/03/73/97/1048037397.db2.gz QCXWOJFGPSKTDT-UHFFFAOYSA-N 1 0 390.940 3.661 20 30 GHEDRO C=CCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1nc2c(cccc2O)s1 ZINC001280120353 1048091984 /nfs/dbraw/zinc/09/19/84/1048091984.db2.gz HMHYPDJQCQZXRP-ZDUSSCGKSA-N 1 0 389.546 3.714 20 30 GHEDRO N#CC1(NC(=O)[C@H]2CCC[C@@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)CCC1 ZINC001280311020 1048174845 /nfs/dbraw/zinc/17/48/45/1048174845.db2.gz RNYWSOQFFAGUGA-QAPCUYQASA-N 1 0 377.941 3.956 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+](CC)C(C)C ZINC001286284194 1048253173 /nfs/dbraw/zinc/25/31/73/1048253173.db2.gz ZDSYAUPSYWKMIZ-OAHLLOKOSA-N 1 0 391.922 3.926 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001286288380 1048256518 /nfs/dbraw/zinc/25/65/18/1048256518.db2.gz SLALEMHNXYFOIE-GOSISDBHSA-N 1 0 390.535 3.621 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286292497 1048258832 /nfs/dbraw/zinc/25/88/32/1048258832.db2.gz ZFDUEVLTRGUGPG-IAGOWNOFSA-N 1 0 385.943 3.788 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)[NH+](CC)CC ZINC001286302706 1048264848 /nfs/dbraw/zinc/26/48/48/1048264848.db2.gz VOCQQLGLHSQLNL-UXHICEINSA-N 1 0 397.567 3.662 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001286315172 1048269130 /nfs/dbraw/zinc/26/91/30/1048269130.db2.gz UWXBTYOPCHFGRF-OAQYLSRUSA-N 1 0 379.552 3.916 20 30 GHEDRO C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286327928 1048274102 /nfs/dbraw/zinc/27/41/02/1048274102.db2.gz KUPLUWACHSTHHH-RBUKOAKNSA-N 1 0 397.542 3.730 20 30 GHEDRO C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCCCC1 ZINC001286361660 1048288320 /nfs/dbraw/zinc/28/83/20/1048288320.db2.gz RSRPLOJOMXEBGI-FQEVSTJZSA-N 1 0 395.551 3.590 20 30 GHEDRO C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001286372041 1048296868 /nfs/dbraw/zinc/29/68/68/1048296868.db2.gz LHMMWKVWSPRUJG-ICSRJNTNSA-N 1 0 395.551 3.719 20 30 GHEDRO CCc1ccc([C@H](Cn2c(CC3CC3)nnc2N(C)[C@H](C)CC#N)[NH+](C)C)cc1 ZINC001305915673 1048306828 /nfs/dbraw/zinc/30/68/28/1048306828.db2.gz BJVDVFGSTHLRQL-UTKZUKDTSA-N 1 0 394.567 3.834 20 30 GHEDRO C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@@H+](C)[C@H](C)CC ZINC001286436967 1048320581 /nfs/dbraw/zinc/32/05/81/1048320581.db2.gz CMLQYKGRMYBMHB-HXUWFJFHSA-N 1 0 393.579 3.938 20 30 GHEDRO C#CCN(CC)c1nnc(C2CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001286443272 1048325694 /nfs/dbraw/zinc/32/56/94/1048325694.db2.gz DJFALFPTIOVNBC-NRFANRHFSA-N 1 0 377.536 3.761 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccccc2C)n1CCC1CC[NH+](CC)CC1 ZINC001286446007 1048326079 /nfs/dbraw/zinc/32/60/79/1048326079.db2.gz CVVUAPLPHWLMIS-UHFFFAOYSA-N 1 0 393.579 3.759 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)C[NH+](C)C ZINC001286448055 1048328613 /nfs/dbraw/zinc/32/86/13/1048328613.db2.gz ZSSUSFOZOBYFPG-UHFFFAOYSA-N 1 0 387.959 3.570 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CC(C)(C)C[NH+](C)C ZINC001286456739 1048332287 /nfs/dbraw/zinc/33/22/87/1048332287.db2.gz UWEZVNXXIVFVOL-UHFFFAOYSA-N 1 0 397.542 3.912 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001286547899 1048358495 /nfs/dbraw/zinc/35/84/95/1048358495.db2.gz QOLJFMLQKKCVNX-ICSRJNTNSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001286578709 1048372010 /nfs/dbraw/zinc/37/20/10/1048372010.db2.gz IJFYYWRIAFIYMR-LJQANCHMSA-N 1 0 397.567 3.622 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286580030 1048373948 /nfs/dbraw/zinc/37/39/48/1048373948.db2.gz XTYKLVGQVADWFU-FQEVSTJZSA-N 1 0 396.583 3.787 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286640382 1048407962 /nfs/dbraw/zinc/40/79/62/1048407962.db2.gz JNPDHWFUFXETKR-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001286668340 1048433271 /nfs/dbraw/zinc/43/32/71/1048433271.db2.gz YAMHPNIUYBZVGQ-SFHVURJKSA-N 1 0 391.604 3.941 20 30 GHEDRO C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001286668339 1048433314 /nfs/dbraw/zinc/43/33/14/1048433314.db2.gz YAMHPNIUYBZVGQ-GOSISDBHSA-N 1 0 391.604 3.941 20 30 GHEDRO CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCC[NH+](CC)CC ZINC001306110144 1048434619 /nfs/dbraw/zinc/43/46/19/1048434619.db2.gz LXSVQNDIFWFAOF-UHFFFAOYSA-N 1 0 392.551 3.738 20 30 GHEDRO CCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001306130671 1048453694 /nfs/dbraw/zinc/45/36/94/1048453694.db2.gz FLYBOHZCDXSKQC-FQEVSTJZSA-N 1 0 380.540 3.582 20 30 GHEDRO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC1([NH+](C)C)CCC1 ZINC001286728683 1048484384 /nfs/dbraw/zinc/48/43/84/1048484384.db2.gz FVLFDGZNSRONAJ-UHFFFAOYSA-N 1 0 385.581 3.985 20 30 GHEDRO C=CCN(C)c1nnc(CC2CCCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001286730297 1048488610 /nfs/dbraw/zinc/48/86/10/1048488610.db2.gz RAYWBMMKAFBFOR-ROUUACIJSA-N 1 0 389.588 3.521 20 30 GHEDRO C=CCN(c1nnc(COc2cc(C)ccc2C)n1CC[NH+]1CCCC1)C1CC1 ZINC001286739626 1048498644 /nfs/dbraw/zinc/49/86/44/1048498644.db2.gz IVSJXYPOCXTMIC-UHFFFAOYSA-N 1 0 395.551 3.725 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@H](CC)[NH+]1CCCC1 ZINC001286741212 1048499576 /nfs/dbraw/zinc/49/95/76/1048499576.db2.gz IKMOXMFTMYNBEY-NRFANRHFSA-N 1 0 392.551 3.779 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001286742706 1048500321 /nfs/dbraw/zinc/50/03/21/1048500321.db2.gz UBJVEQVKBIKWSP-OAQYLSRUSA-N 1 0 390.535 3.560 20 30 GHEDRO C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1CC[NH+]1CCC(C)CC1 ZINC001286753695 1048506428 /nfs/dbraw/zinc/50/64/28/1048506428.db2.gz HXEWSDJOGDWMGV-UHFFFAOYSA-N 1 0 395.551 3.864 20 30 GHEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001286757005 1048509654 /nfs/dbraw/zinc/50/96/54/1048509654.db2.gz CDQXGVLMEVICFS-UXHICEINSA-N 1 0 387.572 3.615 20 30 GHEDRO C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286771563 1048519254 /nfs/dbraw/zinc/51/92/54/1048519254.db2.gz YDGHIHPWYTWONA-UHFFFAOYSA-N 1 0 381.524 3.594 20 30 GHEDRO C=CCOc1ccc(Cn2c(C3CC3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001286797128 1048526287 /nfs/dbraw/zinc/52/62/87/1048526287.db2.gz RDACCRAHNDQZJY-ROUUACIJSA-N 1 0 395.551 3.688 20 30 GHEDRO C=CCSCCn1c(C(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286824335 1048537963 /nfs/dbraw/zinc/53/79/63/1048537963.db2.gz WVCWXNINTJSOOE-UHFFFAOYSA-N 1 0 377.602 3.775 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001287321172 1048714896 /nfs/dbraw/zinc/71/48/96/1048714896.db2.gz BRPIZLIFCHKTFK-LVCYWYKZSA-N 1 0 394.567 3.885 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001287406807 1048761451 /nfs/dbraw/zinc/76/14/51/1048761451.db2.gz IFGLUGXFDHDXRA-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001306693348 1048821824 /nfs/dbraw/zinc/82/18/24/1048821824.db2.gz HOYODNXSLJUAAE-HXUWFJFHSA-N 1 0 380.540 3.927 20 30 GHEDRO N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001306993198 1048996435 /nfs/dbraw/zinc/99/64/35/1048996435.db2.gz WFHMGGNGZPQWRN-IEBWSBKVSA-N 1 0 391.475 3.540 20 30 GHEDRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(C#N)CC2)CC1 ZINC001307045833 1049039841 /nfs/dbraw/zinc/03/98/41/1049039841.db2.gz WYZZNHWLAQZUQK-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCCCC1 ZINC001288698097 1049203154 /nfs/dbraw/zinc/20/31/54/1049203154.db2.gz IXVSGTXNMUPGAW-GCJKJVERSA-N 1 0 384.572 3.798 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1F)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001307426196 1049263890 /nfs/dbraw/zinc/26/38/90/1049263890.db2.gz ADSSQYNLKZQAIS-QFIPXVFZSA-N 1 0 392.515 3.966 20 30 GHEDRO CC1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCCC1 ZINC001289015595 1049286011 /nfs/dbraw/zinc/28/60/11/1049286011.db2.gz UJNOKLRNVKQIGZ-UHFFFAOYSA-N 1 0 378.524 3.681 20 30 GHEDRO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)o1 ZINC001307497602 1049337116 /nfs/dbraw/zinc/33/71/16/1049337116.db2.gz FPTKYYCFAOOVOL-UWJYYQICSA-N 1 0 390.483 3.915 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001307511488 1049355257 /nfs/dbraw/zinc/35/52/57/1049355257.db2.gz OBKJCYHUSZZVCY-YLJYHZDGSA-N 1 0 387.524 3.952 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC001307546532 1049389400 /nfs/dbraw/zinc/38/94/00/1049389400.db2.gz QCZQQLHJRUDFBL-CEWLAPEOSA-N 1 0 398.551 3.562 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CC)C[C@H](CC)c2ccccc2)c1 ZINC001307699299 1049516212 /nfs/dbraw/zinc/51/62/12/1049516212.db2.gz JBMCFMSUUWWVCP-IBGZPJMESA-N 1 0 377.488 3.832 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710777 1049526508 /nfs/dbraw/zinc/52/65/08/1049526508.db2.gz OMNJCELVIRUBBG-LJQANCHMSA-N 1 0 386.442 3.531 20 30 GHEDRO Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)C[NH+]2CCCC2)o1 ZINC001289572173 1049546036 /nfs/dbraw/zinc/54/60/36/1049546036.db2.gz WCIXWWHMGZQHCX-KRWDZBQOSA-N 1 0 396.539 3.709 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC001307782804 1049588339 /nfs/dbraw/zinc/58/83/39/1049588339.db2.gz AIGSVACPUGMWEI-KSEOMHKRSA-N 1 0 387.568 3.817 20 30 GHEDRO C[C@@](Cc1ccccc1)([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1ccccc1 ZINC001307844993 1049629833 /nfs/dbraw/zinc/62/98/33/1049629833.db2.gz NPXCVERDQIQXEE-QHCPKHFHSA-N 1 0 383.455 3.554 20 30 GHEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 ZINC001307878035 1049660202 /nfs/dbraw/zinc/66/02/02/1049660202.db2.gz OPJUMUUZDHUPPT-AEFFLSMTSA-N 1 0 389.337 3.907 20 30 GHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC001307893564 1049671831 /nfs/dbraw/zinc/67/18/31/1049671831.db2.gz QHVJRMKTESVUNO-MRXNPFEDSA-N 1 0 382.508 3.937 20 30 GHEDRO COc1ccc([C@@H](CNC(=O)c2c[nH]c3cccc(C#N)c32)[NH+]2CCCC2)cc1 ZINC001290006401 1049706722 /nfs/dbraw/zinc/70/67/22/1049706722.db2.gz XACHXITWFFZMJP-OAQYLSRUSA-N 1 0 388.471 3.615 20 30 GHEDRO CCOc1ccc(NC(=O)CC[NH+]2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC001307967701 1049728007 /nfs/dbraw/zinc/72/80/07/1049728007.db2.gz QOONXGNABDOECI-UHFFFAOYSA-N 1 0 392.503 3.862 20 30 GHEDRO Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001290095151 1049728727 /nfs/dbraw/zinc/72/87/27/1049728727.db2.gz YHUWSFQIEGIDPL-MJGOQNOKSA-N 1 0 392.507 3.888 20 30 GHEDRO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC001308015575 1049765994 /nfs/dbraw/zinc/76/59/94/1049765994.db2.gz OEQOPOSFPRRAML-JOCHJYFZSA-N 1 0 383.442 3.550 20 30 GHEDRO C#CC[N@H+](Cc1cccc2c1CCOC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075552 1049821594 /nfs/dbraw/zinc/82/15/94/1049821594.db2.gz NNKJDFIVMZKMAG-UHFFFAOYSA-N 1 0 384.520 3.594 20 30 GHEDRO N#Cc1cc(Cl)ccc1CN1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107864 1049852605 /nfs/dbraw/zinc/85/26/05/1049852605.db2.gz ZZFHFKITFYXNPG-UHFFFAOYSA-N 1 0 383.923 3.936 20 30 GHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001308116544 1049861076 /nfs/dbraw/zinc/86/10/76/1049861076.db2.gz GYIZHEFSFMUDRH-HXUWFJFHSA-N 1 0 397.906 3.875 20 30 GHEDRO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1C(F)(F)F ZINC001308142275 1049881220 /nfs/dbraw/zinc/88/12/20/1049881220.db2.gz KTUQMMLPEBPYQL-UHFFFAOYSA-N 1 0 386.414 3.757 20 30 GHEDRO C#CCOc1ccc(C[NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001308298343 1049942227 /nfs/dbraw/zinc/94/22/27/1049942227.db2.gz XFDDWDLJHBHWED-KRWDZBQOSA-N 1 0 388.389 3.613 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013115 1049971675 /nfs/dbraw/zinc/97/16/75/1049971675.db2.gz JIGAOWBMRKXUSM-OTWHNJEPSA-N 1 0 388.604 3.973 20 30 GHEDRO C#CC[N@H+](C)CCCNCc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC001308422145 1049972538 /nfs/dbraw/zinc/97/25/38/1049972538.db2.gz HGDPGTBHZMJSBT-UHFFFAOYSA-N 1 0 379.335 3.591 20 30 GHEDRO N#Cc1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1F ZINC001308725923 1050073061 /nfs/dbraw/zinc/07/30/61/1050073061.db2.gz YFDQVLVRYZABGJ-UHFFFAOYSA-N 1 0 385.240 3.935 20 30 GHEDRO COc1cc(C)cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1O ZINC001308731981 1050075082 /nfs/dbraw/zinc/07/50/82/1050075082.db2.gz MDUREQHWUMJHFQ-LJQANCHMSA-N 1 0 385.895 3.745 20 30 GHEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC001308764458 1050086602 /nfs/dbraw/zinc/08/66/02/1050086602.db2.gz JQZJRLYRLKETGA-IBGZPJMESA-N 1 0 384.524 3.811 20 30 GHEDRO Cn1c(C[NH2+]C2CCN(c3ccccc3C#N)CC2)nc2cc(Cl)ccc21 ZINC001308890307 1050142184 /nfs/dbraw/zinc/14/21/84/1050142184.db2.gz DDHDHRJFSQAAOE-UHFFFAOYSA-N 1 0 379.895 3.857 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001308958230 1050217948 /nfs/dbraw/zinc/21/79/48/1050217948.db2.gz FRMNCVRJHACGBK-NFBKMPQASA-N 1 0 399.535 3.969 20 30 GHEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001309029881 1050287705 /nfs/dbraw/zinc/28/77/05/1050287705.db2.gz HALONVIXCMDJTG-UHFFFAOYSA-N 1 0 391.562 3.624 20 30 GHEDRO O=C(NCC[NH+]1CC=CC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001328058009 1050378509 /nfs/dbraw/zinc/37/85/09/1050378509.db2.gz RVKMQKLHEXTGIX-UHFFFAOYSA-N 1 0 384.295 3.578 20 30 GHEDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC001309740560 1050950145 /nfs/dbraw/zinc/95/01/45/1050950145.db2.gz BYZDROXIGUKVMZ-UHFFFAOYSA-N 1 0 391.562 3.576 20 30 GHEDRO CCc1ccc([C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2cccc(F)c2)cc1 ZINC001330880463 1051138860 /nfs/dbraw/zinc/13/88/60/1051138860.db2.gz RZXKHEJJVFJSQM-DOOINGLPSA-N 1 0 391.490 3.733 20 30 GHEDRO COC(=O)C1(C#N)CCN(c2c3cc(C)c(F)cc3[nH+]c3c2CCCC3)CC1 ZINC001332068037 1051451675 /nfs/dbraw/zinc/45/16/75/1051451675.db2.gz BPJBQBUPENRRTN-UHFFFAOYSA-N 1 0 381.451 3.844 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001310568409 1051454525 /nfs/dbraw/zinc/45/45/25/1051454525.db2.gz RFRVUJRKFZCFOD-QFIPXVFZSA-N 1 0 379.508 3.901 20 30 GHEDRO CCC[C@@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001310696917 1051536935 /nfs/dbraw/zinc/53/69/35/1051536935.db2.gz WMUUBTOXVRPHNW-QGZVFWFLSA-N 1 0 383.521 3.842 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)C(C)C ZINC001310776187 1051583353 /nfs/dbraw/zinc/58/33/53/1051583353.db2.gz ROMQHYZCRLBISX-HXUWFJFHSA-N 1 0 396.539 3.611 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001310863794 1051663532 /nfs/dbraw/zinc/66/35/32/1051663532.db2.gz QYORLBIFBQXCRG-AWEZNQCLSA-N 1 0 396.329 3.867 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001334750938 1051973068 /nfs/dbraw/zinc/97/30/68/1051973068.db2.gz VUQQJKUKTHSQNO-HLLBOEOZSA-N 1 0 390.578 3.782 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001335634191 1052142584 /nfs/dbraw/zinc/14/25/84/1052142584.db2.gz UXLRTBDSCXVRGT-BFYDXBDKSA-N 1 0 390.578 3.640 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001335708040 1052155257 /nfs/dbraw/zinc/15/52/57/1052155257.db2.gz MSGWOFFUHXXVJU-NQIIRXRSSA-N 1 0 383.517 3.702 20 30 GHEDRO CC(C)(CNC(=O)NC(C)(C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC001311720459 1052355145 /nfs/dbraw/zinc/35/51/45/1052355145.db2.gz SDADZQNNHLLDND-UHFFFAOYSA-N 1 0 390.531 3.929 20 30 GHEDRO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001311993518 1052518985 /nfs/dbraw/zinc/51/89/85/1052518985.db2.gz JGXFIECDNQHFRD-QAPCUYQASA-N 1 0 381.442 3.887 20 30 GHEDRO C=CCCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001312541597 1052783609 /nfs/dbraw/zinc/78/36/09/1052783609.db2.gz JSOYBZZFGDMCRN-UHFFFAOYSA-N 1 0 382.346 3.879 20 30 GHEDRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc(C#N)c1 ZINC001313292690 1053009348 /nfs/dbraw/zinc/00/93/48/1053009348.db2.gz SWJAMBPNOQFHOB-NMNUPHIUSA-N 1 0 388.515 3.783 20 30 GHEDRO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001342298302 1053085839 /nfs/dbraw/zinc/08/58/39/1053085839.db2.gz ICQMGBPKZHBVSP-ZWKOTPCHSA-N 1 0 375.561 3.652 20 30 GHEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001313586194 1053117363 /nfs/dbraw/zinc/11/73/63/1053117363.db2.gz RYSOYLRSNVWNBZ-IBGZPJMESA-N 1 0 390.491 3.701 20 30 GHEDRO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC001342416728 1053158569 /nfs/dbraw/zinc/15/85/69/1053158569.db2.gz VCZXHKYWXLUBBT-UTKZUKDTSA-N 1 0 395.551 3.869 20 30 GHEDRO C=CCn1c([C@H](O)CC2CCCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001342472966 1053188560 /nfs/dbraw/zinc/18/85/60/1053188560.db2.gz SHXCBZDNUKFOFZ-VQTJNVASSA-N 1 0 389.588 3.636 20 30 GHEDRO N#CC1(C(=O)OC[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)CCSCC1 ZINC001342507193 1053206784 /nfs/dbraw/zinc/20/67/84/1053206784.db2.gz SINFOVRRUGWLSF-OAHLLOKOSA-N 1 0 394.487 3.757 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)C1 ZINC001313891055 1053273042 /nfs/dbraw/zinc/27/30/42/1053273042.db2.gz QHEISMONOUEQIS-IBGZPJMESA-N 1 0 392.551 3.785 20 30 GHEDRO C=C(C)Cn1c(CC[C@@H]2CCCO2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001342760538 1053341799 /nfs/dbraw/zinc/34/17/99/1053341799.db2.gz DFDCCRNVPCQZBK-FQEVSTJZSA-N 1 0 389.588 3.522 20 30 GHEDRO N#Cc1ccc(C2CCN(C(=O)c3ccc4c(ccn4CCC[NH3+])c3)CC2)cc1 ZINC001342868356 1053398703 /nfs/dbraw/zinc/39/87/03/1053398703.db2.gz GKXQSXXVQGHVEA-UHFFFAOYSA-N 1 0 386.499 3.882 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1)c1ccco1 ZINC001314650979 1053550193 /nfs/dbraw/zinc/55/01/93/1053550193.db2.gz NPKGBLUWVRWEJE-GOSISDBHSA-N 1 0 398.555 3.893 20 30 GHEDRO C[N@H+](CCn1c(C2CCCC2)nnc1N1CCC(C#N)CC1)C1CCCCC1 ZINC001314860575 1053653618 /nfs/dbraw/zinc/65/36/18/1053653618.db2.gz JKBTYWZKXTULKT-UHFFFAOYSA-N 1 0 384.572 3.940 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H]1c1ccc(F)cc1 ZINC001343483353 1053800690 /nfs/dbraw/zinc/80/06/90/1053800690.db2.gz DZKVRZKNSMWJOI-RBUKOAKNSA-N 1 0 388.284 3.995 20 30 GHEDRO CC(C)(C#N)c1nnc(N2CCC(C)([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC001343548123 1053865672 /nfs/dbraw/zinc/86/56/72/1053865672.db2.gz LQMDYSBSEKESNZ-UHFFFAOYSA-N 1 0 398.580 3.644 20 30 GHEDRO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCN(Cc2ccccc2Cl)CC1 ZINC001343559275 1053879654 /nfs/dbraw/zinc/87/96/54/1053879654.db2.gz SBECLDKWOJOLIR-QZTJIDSGSA-N 1 0 398.942 3.537 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001343583673 1053906657 /nfs/dbraw/zinc/90/66/57/1053906657.db2.gz SHIIJZSVRBICJJ-OTWHNJEPSA-N 1 0 387.572 3.590 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001343689724 1053973940 /nfs/dbraw/zinc/97/39/40/1053973940.db2.gz CSEOBZLXUWWMJO-VAMGGRTRSA-N 1 0 387.572 3.591 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001343765204 1054008361 /nfs/dbraw/zinc/00/83/61/1054008361.db2.gz NJZNDERTTGRDHM-GOSISDBHSA-N 1 0 382.556 3.712 20 30 GHEDRO C=C(C)Cn1c(N2CCC(CC)([NH+]3CCCC3)CC2)nnc1C(C)(C)CC#N ZINC001343787193 1054028036 /nfs/dbraw/zinc/02/80/36/1054028036.db2.gz PZIGRIUDQZPUPY-UHFFFAOYSA-N 1 0 384.572 3.890 20 30 GHEDRO CCn1nc(C2CC2)cc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001344036801 1054204169 /nfs/dbraw/zinc/20/41/69/1054204169.db2.gz SDSTWXYHJFYIPJ-UHFFFAOYSA-N 1 0 392.503 3.743 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317860545 1054281920 /nfs/dbraw/zinc/28/19/20/1054281920.db2.gz RNMRYICHUVWEPV-UHFFFAOYSA-N 1 0 379.508 3.581 20 30 GHEDRO CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001344846553 1054770594 /nfs/dbraw/zinc/77/05/94/1054770594.db2.gz BSBMVTOYLQUBPM-LJQANCHMSA-N 1 0 380.540 3.664 20 30 GHEDRO CC(C)(C)[NH+]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC001318650823 1054772919 /nfs/dbraw/zinc/77/29/19/1054772919.db2.gz KQLWTSMQFMXNNS-UHFFFAOYSA-N 1 0 382.533 3.912 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(OCC#N)cc2)[C@H]1c1cccs1 ZINC001318811695 1054888181 /nfs/dbraw/zinc/88/81/81/1054888181.db2.gz OLJIJORDAZMJSY-BEFAXECRSA-N 1 0 384.505 3.855 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@]3(C#N)CC34CCCC4)n2CC2CC2)C1 ZINC001345385990 1055016644 /nfs/dbraw/zinc/01/66/44/1055016644.db2.gz CGSJSFVRMWDOHH-AUSIDOKSSA-N 1 0 396.583 3.582 20 30 GHEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC001345634544 1055176466 /nfs/dbraw/zinc/17/64/66/1055176466.db2.gz IMYFMBWRCXJYPO-NFBKMPQASA-N 1 0 377.488 3.953 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC001345750553 1055242031 /nfs/dbraw/zinc/24/20/31/1055242031.db2.gz OCSRMMPARJZKOP-NQIIRXRSSA-N 1 0 392.551 3.806 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC(C)(C)C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001345873899 1055303607 /nfs/dbraw/zinc/30/36/07/1055303607.db2.gz DXYCRWMOWXOLKD-KRWDZBQOSA-N 1 0 377.577 3.634 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)C2=O)cc1 ZINC001320159386 1055681644 /nfs/dbraw/zinc/68/16/44/1055681644.db2.gz OKMHNRYLSJPVKI-XMSQKQJNSA-N 1 0 399.498 3.810 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](CO)Cc2ccccc2Br)C1 ZINC001321129835 1056109700 /nfs/dbraw/zinc/10/97/00/1056109700.db2.gz VNTBMOSKNMATNE-YLZJTPGZSA-N 1 0 399.332 3.814 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](CO)Cc2ccccc2Br)C1 ZINC001321129837 1056109843 /nfs/dbraw/zinc/10/98/43/1056109843.db2.gz VNTBMOSKNMATNE-YQHFOJDRSA-N 1 0 399.332 3.814 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21)C(C)C ZINC001321194144 1056149197 /nfs/dbraw/zinc/14/91/97/1056149197.db2.gz RJPLXLKZTQKMMB-WOJBJXKFSA-N 1 0 387.572 3.839 20 30 GHEDRO C#CCN(C)c1nnc(Cc2ccccc2C)n1CCC[N@H+](C)C1CCCCC1 ZINC001300468576 1056204478 /nfs/dbraw/zinc/20/44/78/1056204478.db2.gz DJPQCRBPUXCHBC-UHFFFAOYSA-N 1 0 393.579 3.901 20 30 GHEDRO C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001300583697 1056546647 /nfs/dbraw/zinc/54/66/47/1056546647.db2.gz KCEDWRRXBPRKDP-OAQYLSRUSA-N 1 0 383.584 3.594 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+](C)[C@@H](C)CC ZINC001300613523 1056658741 /nfs/dbraw/zinc/65/87/41/1056658741.db2.gz JGXLNJIYVYESKC-SFHVURJKSA-N 1 0 390.535 3.683 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)C[NH+](C)C ZINC001300613744 1056660155 /nfs/dbraw/zinc/66/01/55/1056660155.db2.gz OFMUFRYECURAJF-UHFFFAOYSA-N 1 0 390.535 3.541 20 30 GHEDRO CC(C)[N@@H+]1CCCN(c2nnc(CCCCC#N)n2CCc2ccccc2)CC1 ZINC001354523879 1056741086 /nfs/dbraw/zinc/74/10/86/1056741086.db2.gz QETQRUKLALORAJ-UHFFFAOYSA-N 1 0 394.567 3.678 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001322715698 1056815632 /nfs/dbraw/zinc/81/56/32/1056815632.db2.gz BIMUYNRNVXQAOM-GOSISDBHSA-N 1 0 383.879 3.620 20 30 GHEDRO C=CCSc1ccccc1NC(=O)COC(=O)c1ccc2c[nH+]cn2c1C ZINC001323877555 1057025985 /nfs/dbraw/zinc/02/59/85/1057025985.db2.gz MPXAWFSMRDCSNN-UHFFFAOYSA-N 1 0 381.457 3.716 20 30 GHEDRO N#CCCCC[C@H](N)c1nc(Cc2ccc(OCc3ccncc3)cc2)no1 ZINC000848625406 1057212259 /nfs/dbraw/zinc/21/22/59/1057212259.db2.gz SRCNMCAMTJBQTQ-IBGZPJMESA-N 1 0 377.448 3.718 20 30 GHEDRO C=CCn1c(-c2cccc3ccncc32)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001356005039 1057352782 /nfs/dbraw/zinc/35/27/82/1057352782.db2.gz ASZJWGUUALPZHQ-UHFFFAOYSA-N 1 0 390.535 3.990 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3cnn(C(C)C)c32)c(OC)c1 ZINC001325878462 1057379525 /nfs/dbraw/zinc/37/95/25/1057379525.db2.gz KHFZKEGSNCGAFE-PMACEKPBSA-N 1 0 399.535 3.608 20 30 GHEDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001325888164 1057380513 /nfs/dbraw/zinc/38/05/13/1057380513.db2.gz BVZQFZVNQCXNQM-WOJBJXKFSA-N 1 0 379.464 3.740 20 30 GHEDRO C[C@H]1CN(Cc2ccc(C(=O)N3CCCc4c(C#N)cccc43)cc2)C[C@H](C)O1 ZINC001326333143 1057458165 /nfs/dbraw/zinc/45/81/65/1057458165.db2.gz LCSYWMZVOXWSPM-ROUUACIJSA-N 1 0 389.499 3.760 20 30 GHEDRO C=C(C)Cn1c(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)nnc1C(F)(F)c1ccccc1 ZINC001356362660 1057489208 /nfs/dbraw/zinc/48/92/08/1057489208.db2.gz WMWJCOJQAUKXBF-WMZOPIPTSA-N 1 0 387.478 3.525 20 30 GHEDRO COc1ccccc1[C@@H](CNC(=[NH+]Cc1ccccc1)N(C)C)N1CCCC1 ZINC000849057325 1057569345 /nfs/dbraw/zinc/56/93/45/1057569345.db2.gz IZVFVHNIONHCFL-OAQYLSRUSA-N 1 0 380.536 3.540 20 30 GHEDRO C[NH+]=C(NCc1ccco1)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC000849077782 1057583112 /nfs/dbraw/zinc/58/31/12/1057583112.db2.gz MXNJDHYDXUREJW-UHFFFAOYSA-N 1 0 398.507 3.833 20 30 GHEDRO CCCC[NH+]=C(NCc1ncnn1-c1ccccc1)NCc1ccc(C)cc1 ZINC000849092893 1057591994 /nfs/dbraw/zinc/59/19/94/1057591994.db2.gz ACKXTWVVPSJVIF-UHFFFAOYSA-N 1 0 376.508 3.611 20 30 GHEDRO C=CCn1c(-c2ccco2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001337991575 1058362653 /nfs/dbraw/zinc/36/26/53/1058362653.db2.gz YCHRTZKTRHGAMV-SFHVURJKSA-N 1 0 377.492 3.825 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)Cc1ccccc1 ZINC001440667671 1058569320 /nfs/dbraw/zinc/56/93/20/1058569320.db2.gz YHWSLVWQAZNCJN-OAHLLOKOSA-N 1 0 376.287 3.768 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N(C)[C@@H]3CCC[C@H]3C#N)n2C)C1 ZINC001338659249 1058714982 /nfs/dbraw/zinc/71/49/82/1058714982.db2.gz SBDAWFIHDCNIEM-ITBLURSFSA-N 1 0 396.514 3.575 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CCC2(CCO2)CC1 ZINC001338694298 1058735079 /nfs/dbraw/zinc/73/50/79/1058735079.db2.gz VJRKHMRIUAUPGL-LJQANCHMSA-N 1 0 385.556 3.693 20 30 GHEDRO N#Cc1cccnc1NCC[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC001338750969 1058762945 /nfs/dbraw/zinc/76/29/45/1058762945.db2.gz JUTARPQSHSRLDL-UHFFFAOYSA-N 1 0 376.435 3.873 20 30 GHEDRO C=CCn1c([C@@H](O)C2CCCC2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001338814203 1058806755 /nfs/dbraw/zinc/80/67/55/1058806755.db2.gz SSXHGUVNUUKUHJ-IBGZPJMESA-N 1 0 387.572 3.533 20 30 GHEDRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)C[C@@H](C)C#N)c1 ZINC001442038182 1058906881 /nfs/dbraw/zinc/90/68/81/1058906881.db2.gz ZKGVJKYLKUOBQW-AJSBUHFISA-N 1 0 375.516 3.829 20 30 GHEDRO C=CCn1c(-c2nc3c(s2)CN(C)CC3)nnc1N1Cc2ccccc2[C@@H]1C ZINC001338982748 1058912934 /nfs/dbraw/zinc/91/29/34/1058912934.db2.gz ZBCYFKGEIJIERF-AWEZNQCLSA-N 1 0 392.532 3.657 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc(-c2ccccc2)nc1C)C(C)C ZINC001443425835 1059126386 /nfs/dbraw/zinc/12/63/86/1059126386.db2.gz JXNFNYRJMCRIEJ-OAQYLSRUSA-N 1 0 378.520 3.880 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC001443429419 1059128030 /nfs/dbraw/zinc/12/80/30/1059128030.db2.gz OJGXNBINHBZAHY-SFHVURJKSA-N 1 0 381.561 3.569 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1N(C)[C@H](C)CC#N ZINC001339692202 1059395874 /nfs/dbraw/zinc/39/58/74/1059395874.db2.gz XTZCPUQEQSPVBP-QUCCMNQESA-N 1 0 378.524 3.582 20 30 GHEDRO C=CCn1c(Cc2cccc(C#N)c2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001339743415 1059432962 /nfs/dbraw/zinc/43/29/62/1059432962.db2.gz IFXIQGZHRABTMY-UHFFFAOYSA-N 1 0 392.551 3.546 20 30 GHEDRO CC[C@H](Cn1c(C2CC2)nnc1N(C)C[C@H](C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC001545981775 1059714073 /nfs/dbraw/zinc/71/40/73/1059714073.db2.gz BDPLLVTWPUQVEK-DYESRHJHSA-N 1 0 392.551 3.588 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001340205377 1059763543 /nfs/dbraw/zinc/76/35/43/1059763543.db2.gz NIFKFFVDUJRESM-KNQAVFIVSA-N 1 0 385.556 3.551 20 30 GHEDRO C=CCn1c(-c2ccc([C@@H](C)O)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001340606965 1059992496 /nfs/dbraw/zinc/99/24/96/1059992496.db2.gz VVLCVUYIDUREEZ-GOSISDBHSA-N 1 0 397.567 3.741 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCCCCCCC1 ZINC001340633339 1060004789 /nfs/dbraw/zinc/00/47/89/1060004789.db2.gz AFWRUQYRZRBEQK-FQEVSTJZSA-N 1 0 387.572 3.941 20 30 GHEDRO C=CCn1c(COC2CCCCC2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001340634840 1060006580 /nfs/dbraw/zinc/00/65/80/1060006580.db2.gz GOLHXAROLGHKBU-UHFFFAOYSA-N 1 0 387.572 3.768 20 30 GHEDRO C=CCn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)c1ccc(C)cc1 ZINC001340634504 1060006653 /nfs/dbraw/zinc/00/66/53/1060006653.db2.gz GYJXAWOFDTXBPY-FQEVSTJZSA-N 1 0 381.524 3.856 20 30 GHEDRO C=CCn1c([C@H](O)CC2CCCCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340799168 1060134575 /nfs/dbraw/zinc/13/45/75/1060134575.db2.gz RJPXKIJDVSKMHA-HXUWFJFHSA-N 1 0 389.588 3.779 20 30 GHEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448884331 1060291564 /nfs/dbraw/zinc/29/15/64/1060291564.db2.gz PWFFBANOMNOMGF-RTBURBONSA-N 1 0 395.588 3.626 20 30 GHEDRO N#C[C@@]1(C(=O)Nc2ccc3[nH]c(C4CC[NH2+]CC4)nc3c2)CC2CCC1CC2 ZINC001341001272 1060321473 /nfs/dbraw/zinc/32/14/73/1060321473.db2.gz ZNDKPDGIYQUXNS-AWBPIWROSA-N 1 0 377.492 3.688 20 30 GHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001341605500 1060772131 /nfs/dbraw/zinc/77/21/31/1060772131.db2.gz YGHCLDHEFYTWNP-OAQYLSRUSA-N 1 0 377.488 3.764 20 30 GHEDRO C=CCn1c(-c2c(C)n[nH]c2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001341969212 1060976196 /nfs/dbraw/zinc/97/61/96/1060976196.db2.gz RDAFZJVNIKILMV-VQIMIIECSA-N 1 0 397.571 3.562 20 30 GHEDRO C=C(C)Cn1c(-c2csc(C)n2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001341976591 1060978647 /nfs/dbraw/zinc/97/86/47/1060978647.db2.gz AAOQZGGGUPZGRH-UHFFFAOYSA-N 1 0 386.569 3.741 20 30 GHEDRO C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001342200890 1061128712 /nfs/dbraw/zinc/12/87/12/1061128712.db2.gz IPBNNHDLOSXWJV-CQSZACIVSA-N 1 0 392.960 3.696 20 30 GHEDRO C=C(C)Cn1c(C[C@H](C)SC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001342218230 1061143626 /nfs/dbraw/zinc/14/36/26/1061143626.db2.gz SXIRZHSKMVMVIH-YQVWRLOYSA-N 1 0 389.613 3.601 20 30 GHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccccc1SCC#N ZINC001346209898 1061450396 /nfs/dbraw/zinc/45/03/96/1061450396.db2.gz VNYUJLQGTSKSPM-UHFFFAOYSA-N 1 0 380.517 3.615 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2c(C)n[nH]c2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001346209080 1061450523 /nfs/dbraw/zinc/45/05/23/1061450523.db2.gz DRTTYTRJJLMRKI-FCEWJHQRSA-N 1 0 399.587 3.512 20 30 GHEDRO C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001346496845 1061612871 /nfs/dbraw/zinc/61/28/71/1061612871.db2.gz XPWIKCFDKZUDAI-MOPGFXCFSA-N 1 0 382.556 3.569 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C12CCC2 ZINC001454174067 1061638218 /nfs/dbraw/zinc/63/82/18/1061638218.db2.gz NWHIVOQDVIDNOH-FGZHOGPDSA-N 1 0 389.499 3.740 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001346615739 1061733168 /nfs/dbraw/zinc/73/31/68/1061733168.db2.gz LUWSMUCGNXHOLC-VAMGGRTRSA-N 1 0 394.567 3.688 20 30 GHEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3C#N)CC[C@H]21 ZINC001454842352 1061944232 /nfs/dbraw/zinc/94/42/32/1061944232.db2.gz DUDLBGAQOPAZSS-IEBWSBKVSA-N 1 0 377.513 3.876 20 30 GHEDRO COc1cccc([C@@]2(C)CC[N@H+](Cn3c(C)nnc3-c3cccc(C#N)c3)C2)c1 ZINC001347239168 1062234678 /nfs/dbraw/zinc/23/46/78/1062234678.db2.gz WAROJWDWAZDTAJ-QHCPKHFHSA-N 1 0 387.487 3.755 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC001455945931 1062364456 /nfs/dbraw/zinc/36/44/56/1062364456.db2.gz NBUGOMYUJNBMBQ-UHFFFAOYSA-N 1 0 393.434 3.656 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@H]3C[C@H]3C#N)n2CC2CC2)CC1 ZINC001348948701 1063435244 /nfs/dbraw/zinc/43/52/44/1063435244.db2.gz QDRYVLKUHPGFNC-OALUTQOASA-N 1 0 382.556 3.550 20 30 GHEDRO N#Cc1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1Br ZINC001458107023 1063571533 /nfs/dbraw/zinc/57/15/33/1063571533.db2.gz BFAKXGNQTUSFQJ-CQSZACIVSA-N 1 0 382.277 3.515 20 30 GHEDRO C#Cc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001436733273 1063629220 /nfs/dbraw/zinc/62/92/20/1063629220.db2.gz MAQFMMIKGGISKM-LOSJGSFVSA-N 1 0 395.506 3.595 20 30 GHEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001437217644 1063786645 /nfs/dbraw/zinc/78/66/45/1063786645.db2.gz TYODUKRIBBOQRM-VXKWHMMOSA-N 1 0 389.499 3.884 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC001438321213 1064032550 /nfs/dbraw/zinc/03/25/50/1064032550.db2.gz FZSUKFBIPDJWTM-FXAWDEMLSA-N 1 0 391.490 3.613 20 30 GHEDRO CCC[C@H]1CN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459820271 1064232420 /nfs/dbraw/zinc/23/24/20/1064232420.db2.gz PQISWJPPVITFJN-GOTSBHOMSA-N 1 0 391.515 3.759 20 30 GHEDRO N#Cc1cnn2c1[nH]c(C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1)cc2=O ZINC001459846964 1064241263 /nfs/dbraw/zinc/24/12/63/1064241263.db2.gz AMCJDFCWVNFCDJ-IBGZPJMESA-N 1 0 381.867 3.981 20 30 GHEDRO C=CCn1c(-c2ccc3sccc3n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001351527052 1064501688 /nfs/dbraw/zinc/50/16/88/1064501688.db2.gz QLQFTGBQXCOTPA-UHFFFAOYSA-N 1 0 382.537 3.708 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(C)[C@H](C)c1ccco1 ZINC001352151557 1064886472 /nfs/dbraw/zinc/88/64/72/1064886472.db2.gz ONBBWLBZKNSGGT-SJLPKXTDSA-N 1 0 385.512 3.570 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CC[N@H+]2CC[C@H](F)C2)cc1 ZINC001464322233 1064954664 /nfs/dbraw/zinc/95/46/64/1064954664.db2.gz YYZZESIEJTZSRN-NRFANRHFSA-N 1 0 383.442 3.660 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC001465028371 1065337675 /nfs/dbraw/zinc/33/76/75/1065337675.db2.gz COFPVPBAYJUKTM-IBGZPJMESA-N 1 0 382.895 3.733 20 30 GHEDRO CC[C@@H](Oc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001352871773 1065397342 /nfs/dbraw/zinc/39/73/42/1065397342.db2.gz CYFGDZJHMGWDRF-HXUWFJFHSA-N 1 0 399.922 3.959 20 30 GHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000847603213 1065730183 /nfs/dbraw/zinc/73/01/83/1065730183.db2.gz APQOKMDUIYBNLW-KRWDZBQOSA-N 1 0 392.459 3.587 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001300302662 1065956783 /nfs/dbraw/zinc/95/67/83/1065956783.db2.gz DJRZBEMGQPVVRF-SLFFLAALSA-N 1 0 387.572 3.632 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001300302634 1065956834 /nfs/dbraw/zinc/95/68/34/1065956834.db2.gz DAHJLFYFXVMVHF-JXFKEZNVSA-N 1 0 383.515 3.836 20 30 GHEDRO N#CC1(COC(=O)c2ccc3c(c2)CCO3)CC[NH+](Cc2ccccc2)CC1 ZINC000847746075 1066017563 /nfs/dbraw/zinc/01/75/63/1066017563.db2.gz XUYBTYXBMRPGST-UHFFFAOYSA-N 1 0 376.456 3.584 20 30 GHEDRO Cc1noc(C)c1CCC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745951 1066019237 /nfs/dbraw/zinc/01/92/37/1066019237.db2.gz SPABVLISRUZZPL-UHFFFAOYSA-N 1 0 381.476 3.573 20 30 GHEDRO COCc1ccccc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847745925 1066019482 /nfs/dbraw/zinc/01/94/82/1066019482.db2.gz ROFJDRDPDIYGAL-UHFFFAOYSA-N 1 0 378.472 3.796 20 30 GHEDRO Cc1c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000847745712 1066020937 /nfs/dbraw/zinc/02/09/37/1066020937.db2.gz MWTRKCMKFZCQBX-UHFFFAOYSA-N 1 0 393.443 3.866 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001353546329 1066021960 /nfs/dbraw/zinc/02/19/60/1066021960.db2.gz HRRFCKYJQXMILU-SFHVURJKSA-N 1 0 390.531 3.929 20 30 GHEDRO CC(C)c1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000847748757 1066038255 /nfs/dbraw/zinc/03/82/55/1066038255.db2.gz HQAIYGMPSBVHNQ-UHFFFAOYSA-N 1 0 380.492 3.506 20 30 GHEDRO CC1CC[NH+](C2CCC(NC(=O)C(F)(F)c3ccccc3C#N)CC2)CC1 ZINC001466308807 1066084888 /nfs/dbraw/zinc/08/48/88/1066084888.db2.gz NQKJFUNPLSFRNM-UHFFFAOYSA-N 1 0 375.463 3.809 20 30 GHEDRO C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001300386516 1066154419 /nfs/dbraw/zinc/15/44/19/1066154419.db2.gz QFTTXMNDOSKIEO-APWZRJJASA-N 1 0 383.927 3.685 20 30 GHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC001467004740 1066441588 /nfs/dbraw/zinc/44/15/88/1066441588.db2.gz XITQUKVJKIZHOJ-SFHVURJKSA-N 1 0 389.459 3.532 20 30 GHEDRO COc1cc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)cc1C#N ZINC001467073906 1067050173 /nfs/dbraw/zinc/05/01/73/1067050173.db2.gz CUTJEZRYEQQIFH-CVEARBPZSA-N 1 0 396.466 3.833 20 30 GHEDRO C#CCN(C(=O)NCC1(c2cccc(F)c2)CCCCC1)C1CC[NH+](C)CC1 ZINC001477577904 1078474217 /nfs/dbraw/zinc/47/42/17/1078474217.db2.gz PVZABLDCOLVDTP-UHFFFAOYSA-N 1 0 385.527 3.767 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001467192382 1067138818 /nfs/dbraw/zinc/13/88/18/1067138818.db2.gz GXMVKDOYJUFTGQ-FSZRXZPDSA-N 1 0 396.457 3.827 20 30 GHEDRO C#Cc1ccc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c(Cl)c1 ZINC001467401114 1067276711 /nfs/dbraw/zinc/27/67/11/1067276711.db2.gz DBXZIXBFKKOREI-UHFFFAOYSA-N 1 0 385.895 3.974 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@]2(C1)OCc1ccccc12)C(C)C ZINC001467660494 1067404763 /nfs/dbraw/zinc/40/47/63/1067404763.db2.gz QQNZPNPASGGROI-ISKFKSNPSA-N 1 0 397.563 3.916 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)C(C)C ZINC001467660633 1067404880 /nfs/dbraw/zinc/40/48/80/1067404880.db2.gz VWOSZLKDAQGXAL-GOSISDBHSA-N 1 0 375.561 3.547 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC[N@H+]1CC=CCC1 ZINC001358874422 1067589816 /nfs/dbraw/zinc/58/98/16/1067589816.db2.gz XFBCALPLWUNDJO-CTNGQTDRSA-N 1 0 377.536 3.540 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC[N@H+]1CC=CCC1 ZINC001358874424 1067590044 /nfs/dbraw/zinc/59/00/44/1067590044.db2.gz XFBCALPLWUNDJO-PZJWPPBQSA-N 1 0 377.536 3.540 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001358878631 1067591206 /nfs/dbraw/zinc/59/12/06/1067591206.db2.gz AHFJXQUNVUTHDC-SFHVURJKSA-N 1 0 391.563 3.840 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001358893353 1067600093 /nfs/dbraw/zinc/60/00/93/1067600093.db2.gz SJEYDRRZAIARPR-SFTDATJTSA-N 1 0 393.579 3.900 20 30 GHEDRO C#CCCCCn1c(CC(C)C)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001358913322 1067610299 /nfs/dbraw/zinc/61/02/99/1067610299.db2.gz KWJYRJOXUFWMBE-QFIPXVFZSA-N 1 0 393.579 3.991 20 30 GHEDRO C#CCN(CC)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359006141 1067647919 /nfs/dbraw/zinc/64/79/19/1067647919.db2.gz IZEVWYMVHACVSV-GOSISDBHSA-N 1 0 390.535 3.862 20 30 GHEDRO C#CCN(CC)c1nnc(CC2CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001359012212 1067652946 /nfs/dbraw/zinc/65/29/46/1067652946.db2.gz CIBMUHUEBYMUHG-JOCHJYFZSA-N 1 0 391.563 3.836 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001359112475 1067690996 /nfs/dbraw/zinc/69/09/96/1067690996.db2.gz KQZOFLLCUUYKLV-WOJBJXKFSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC[N@@H+]1CCC[C@H]1C ZINC001359114372 1067692816 /nfs/dbraw/zinc/69/28/16/1067692816.db2.gz JMJXANTUJJGSMW-LJQANCHMSA-N 1 0 397.567 3.764 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359113613 1067692916 /nfs/dbraw/zinc/69/29/16/1067692916.db2.gz MJPKJWWWSZPFCQ-WOJBJXKFSA-N 1 0 389.588 3.839 20 30 GHEDRO C=C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001359166377 1067720306 /nfs/dbraw/zinc/72/03/06/1067720306.db2.gz QHDSXOIFJITBGL-UHFFFAOYSA-N 1 0 385.531 3.752 20 30 GHEDRO C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001359167416 1067721344 /nfs/dbraw/zinc/72/13/44/1067721344.db2.gz FPLBMNZBXGKPAP-JOCHJYFZSA-N 1 0 393.579 3.952 20 30 GHEDRO C=CC1CCN(c2nnc(C(C)C)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001359172724 1067726707 /nfs/dbraw/zinc/72/67/07/1067726707.db2.gz GEUHCWDVYFLSMY-UHFFFAOYSA-N 1 0 377.602 3.631 20 30 GHEDRO C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359199342 1067766339 /nfs/dbraw/zinc/76/63/39/1067766339.db2.gz RWIKYWLIWWGJPF-ICSRJNTNSA-N 1 0 395.551 3.983 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001468546383 1067766759 /nfs/dbraw/zinc/76/67/59/1067766759.db2.gz TZKLXFGJJGSYAR-UHFFFAOYSA-N 1 0 396.434 3.999 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359240114 1067848846 /nfs/dbraw/zinc/84/88/46/1067848846.db2.gz GJCCOUIGETUKNO-IEBWSBKVSA-N 1 0 383.540 3.534 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccccc2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359242297 1067852490 /nfs/dbraw/zinc/85/24/90/1067852490.db2.gz XPNHOHNNOQAAJQ-NRFANRHFSA-N 1 0 381.568 3.920 20 30 GHEDRO C=CCN(c1nnc(CC)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC001359251518 1067902210 /nfs/dbraw/zinc/90/22/10/1067902210.db2.gz NIERPNNCRUPWOJ-UHFFFAOYSA-N 1 0 379.552 3.832 20 30 GHEDRO C=CCN(c1nnc(Cc2ccncc2)n1CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001359251970 1067904213 /nfs/dbraw/zinc/90/42/13/1067904213.db2.gz AALJGJKRBKTTQD-UHFFFAOYSA-N 1 0 394.567 3.683 20 30 GHEDRO C=CCN(c1nnc(COc2ccc(C)cc2)n1CC1([NH+](C)C)CCC1)C1CC1 ZINC001359253854 1067908720 /nfs/dbraw/zinc/90/87/20/1067908720.db2.gz WPNWUOQJJMBGAN-UHFFFAOYSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001359255946 1067914266 /nfs/dbraw/zinc/91/42/66/1067914266.db2.gz PEPQGERVOWUANV-HXUWFJFHSA-N 1 0 390.535 3.562 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1F ZINC001477899748 1078618032 /nfs/dbraw/zinc/61/80/32/1078618032.db2.gz RPHQSMMKLKVESE-YWZLYKJASA-N 1 0 387.886 3.973 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359317380 1068029388 /nfs/dbraw/zinc/02/93/88/1068029388.db2.gz HMQQSAKNFLUEEF-NRFANRHFSA-N 1 0 395.551 3.601 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001359322094 1068032125 /nfs/dbraw/zinc/03/21/25/1068032125.db2.gz POLVKCPEAUSEFF-RTWAWAEBSA-N 1 0 397.567 3.561 20 30 GHEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1(C)C ZINC001469331680 1068108038 /nfs/dbraw/zinc/10/80/38/1068108038.db2.gz ISZZIORJXPOKAH-WOJBJXKFSA-N 1 0 381.451 3.948 20 30 GHEDRO Cc1ccc(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC001469429806 1068160351 /nfs/dbraw/zinc/16/03/51/1068160351.db2.gz ADLBCOOEQNFCGB-DENIHFKCSA-N 1 0 390.531 3.967 20 30 GHEDRO CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCC1 ZINC001359734435 1068162426 /nfs/dbraw/zinc/16/24/26/1068162426.db2.gz SZACTOUOLYHGLT-HXUWFJFHSA-N 1 0 378.524 3.537 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CCC(C#N)CC3)nnc2C(C)(C)C)C1 ZINC001360011919 1068313313 /nfs/dbraw/zinc/31/33/13/1068313313.db2.gz KEHFKVYTQIWPRR-LJQANCHMSA-N 1 0 386.588 3.684 20 30 GHEDRO C=CCC1(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC1 ZINC001478097956 1078715101 /nfs/dbraw/zinc/71/51/01/1078715101.db2.gz ZUPDVYLGVKRYQE-UHFFFAOYSA-N 1 0 377.573 3.705 20 30 GHEDRO C=CC[C@]1(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001470106655 1068575774 /nfs/dbraw/zinc/57/57/74/1068575774.db2.gz WSRFOUNUCHYDQZ-XMSQKQJNSA-N 1 0 393.572 3.569 20 30 GHEDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCC2)CC1 ZINC001360837179 1068655611 /nfs/dbraw/zinc/65/56/11/1068655611.db2.gz MGECIGLJDSFIFD-UHFFFAOYSA-N 1 0 392.551 3.927 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001470351229 1068693878 /nfs/dbraw/zinc/69/38/78/1068693878.db2.gz FAHRMYHFYRLVKS-UHFFFAOYSA-N 1 0 381.442 3.550 20 30 GHEDRO C#Cc1ccc(CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001478235409 1078778325 /nfs/dbraw/zinc/77/83/25/1078778325.db2.gz JDQKPTCHDLVEMA-WMZHIEFXSA-N 1 0 375.516 3.768 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1 ZINC001460136368 1068804700 /nfs/dbraw/zinc/80/47/00/1068804700.db2.gz AIAWZZKUTKFOTO-HXUWFJFHSA-N 1 0 391.298 3.801 20 30 GHEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC001478285658 1078797549 /nfs/dbraw/zinc/79/75/49/1078797549.db2.gz OSKHJOHEEWNNNK-OAQYLSRUSA-N 1 0 382.483 3.922 20 30 GHEDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001460278633 1068903668 /nfs/dbraw/zinc/90/36/68/1068903668.db2.gz SFWLFXQPSVKZPB-DEOSSOPVSA-N 1 0 390.458 3.522 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)ccc1Cl ZINC001460330751 1068928734 /nfs/dbraw/zinc/92/87/34/1068928734.db2.gz VLJIHSLMJPSNGW-IBGZPJMESA-N 1 0 390.959 3.557 20 30 GHEDRO Cc1c(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)oc2c1cccc2C ZINC001460333877 1068930038 /nfs/dbraw/zinc/93/00/38/1068930038.db2.gz HWBOXKXPYWRQAM-IBGZPJMESA-N 1 0 378.472 3.987 20 30 GHEDRO C[C@H](C[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCC1 ZINC001460597673 1069015714 /nfs/dbraw/zinc/01/57/14/1069015714.db2.gz IVIIPPCEYADTQR-QGZVFWFLSA-N 1 0 379.508 3.831 20 30 GHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC001460724071 1069125476 /nfs/dbraw/zinc/12/54/76/1069125476.db2.gz FIUHVURTBAHPHK-OAHLLOKOSA-N 1 0 382.460 3.582 20 30 GHEDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C ZINC001460833299 1069208482 /nfs/dbraw/zinc/20/84/82/1069208482.db2.gz FXOAZJSJPZMJLZ-WMLDXEAASA-N 1 0 391.537 3.587 20 30 GHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001460843953 1069213642 /nfs/dbraw/zinc/21/36/42/1069213642.db2.gz CTOSUWHMMLCQOS-QGZVFWFLSA-N 1 0 385.508 3.721 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)C2(C)CC2)c1C#N ZINC001460890682 1069257078 /nfs/dbraw/zinc/25/70/78/1069257078.db2.gz OPZNSGHBFCFHLC-INIZCTEOSA-N 1 0 382.483 3.881 20 30 GHEDRO C=C[C@H](C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC001470451185 1072560853 /nfs/dbraw/zinc/56/08/53/1072560853.db2.gz FFEFTFIRVQWZLO-PKTZIBPZSA-N 1 0 393.531 3.871 20 30 GHEDRO C[C@]12CN(C(=O)/C=C\c3ccccc3C#N)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001470774992 1072731347 /nfs/dbraw/zinc/73/13/47/1072731347.db2.gz CXYOYFCCNKRQOI-ONULIQMLSA-N 1 0 385.511 3.942 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC001470890412 1072794341 /nfs/dbraw/zinc/79/43/41/1072794341.db2.gz YVCAQOCJWLMLMB-KRWDZBQOSA-N 1 0 381.561 3.569 20 30 GHEDRO C#C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC001478895675 1079018571 /nfs/dbraw/zinc/01/85/71/1079018571.db2.gz FMXGGHAGHOOPLO-KRWDZBQOSA-N 1 0 392.341 3.639 20 30 GHEDRO C#CC[C@H]1CCCN(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001471568979 1073140011 /nfs/dbraw/zinc/14/00/11/1073140011.db2.gz WOGHWOOINZLWEC-MALNDZBISA-N 1 0 379.548 3.732 20 30 GHEDRO C=CCc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc(OC)c1OC ZINC001472327713 1073425475 /nfs/dbraw/zinc/42/54/75/1073425475.db2.gz ISRLTCKAIMLTFU-UXHICEINSA-N 1 0 386.536 3.767 20 30 GHEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001473220399 1073868466 /nfs/dbraw/zinc/86/84/66/1073868466.db2.gz GUHNUEMRLKFDJN-REWPJTCUSA-N 1 0 388.515 3.784 20 30 GHEDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473437508 1073962677 /nfs/dbraw/zinc/96/26/77/1073962677.db2.gz CIOHSFDTWVHKOB-HXUWFJFHSA-N 1 0 391.899 3.738 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001473558475 1074015785 /nfs/dbraw/zinc/01/57/85/1074015785.db2.gz JFDISSFDKWWJQP-IBGZPJMESA-N 1 0 384.520 3.830 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC001473797772 1074146958 /nfs/dbraw/zinc/14/69/58/1074146958.db2.gz SMOBOTNIAMFUMP-NFBKMPQASA-N 1 0 399.535 3.705 20 30 GHEDRO Cc1cc(C[NH2+]CCNc2ccc(C#N)cn2)cc(C)c1OCc1ccccn1 ZINC001473925497 1074206559 /nfs/dbraw/zinc/20/65/59/1074206559.db2.gz MJGBKCCMPVNMCG-UHFFFAOYSA-N 1 0 387.487 3.746 20 30 GHEDRO CC(C)C[C@@](C)(NC(=O)NCC#CC[NH+](C)C)c1cccc(Br)c1 ZINC001479620748 1079240189 /nfs/dbraw/zinc/24/01/89/1079240189.db2.gz NCUBPSSTDBTXJK-LJQANCHMSA-N 1 0 394.357 3.575 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1(c2cccc(C#N)c2)CC1)CC(F)(F)F ZINC001474144239 1074276102 /nfs/dbraw/zinc/27/61/02/1074276102.db2.gz IDMLJKAOCUSACB-OAHLLOKOSA-N 1 0 383.414 3.983 20 30 GHEDRO N#Cc1ccc(CC[NH2+]Cc2cccc(F)c2I)cc1 ZINC001474207856 1074293553 /nfs/dbraw/zinc/29/35/53/1074293553.db2.gz ILKFXCLEYSHPDL-UHFFFAOYSA-N 1 0 380.204 3.634 20 30 GHEDRO C#Cc1ccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)cc1 ZINC001474700404 1074523826 /nfs/dbraw/zinc/52/38/26/1074523826.db2.gz WJSXCYBXTRJLKQ-DLBZAZTESA-N 1 0 382.426 3.803 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc2nc(C)sc2c1)C(C)C ZINC001475200465 1074782285 /nfs/dbraw/zinc/78/22/85/1074782285.db2.gz HPSAAHFXFUHLJA-SFHVURJKSA-N 1 0 393.578 3.582 20 30 GHEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001496144607 1079458059 /nfs/dbraw/zinc/45/80/59/1079458059.db2.gz XGOZVUADDNXPQI-DSKINZAPSA-N 1 0 392.551 3.926 20 30 GHEDRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)[NH+](C)C ZINC001496658925 1079477215 /nfs/dbraw/zinc/47/72/15/1079477215.db2.gz DMFQKXWFYIDUMA-WMZOPIPTSA-N 1 0 376.593 3.971 20 30 GHEDRO N#Cc1cccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C(=O)[O-])c1 ZINC000833075117 601305784 /nfs/dbraw/zinc/30/57/84/601305784.db2.gz HUEZQQOOBZBHOR-QFIPXVFZSA-N 1 0 377.488 3.850 20 30 GHEDRO N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000833072608 601355144 /nfs/dbraw/zinc/35/51/44/601355144.db2.gz VXEYNLXMYPXBIL-ISKFKSNPSA-N 1 0 389.499 3.672 20 30 GHEDRO C=CCc1cc(C[N@H+](CCC)Cc2ccc(-c3nn[nH]n3)cc2)c(O)c(OC)c1 ZINC000823937436 607846100 /nfs/dbraw/zinc/84/61/00/607846100.db2.gz XUWKDVICBRGSAY-UHFFFAOYSA-N 1 0 393.491 3.722 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825039566 608521327 /nfs/dbraw/zinc/52/13/27/608521327.db2.gz UCARJPDCFHCBAF-NQIIRXRSSA-N 1 0 388.475 3.715 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1)c1ccccc1 ZINC000823893918 608537225 /nfs/dbraw/zinc/53/72/25/608537225.db2.gz BHISLIVHQVGGMR-MRXNPFEDSA-N 1 0 396.520 3.781 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@@H]43)cc2c1Cl ZINC001164448944 719003720 /nfs/dbraw/zinc/00/37/20/719003720.db2.gz KKJSZXMIROCPPG-KBPBESRZSA-N 1 0 383.229 3.899 20 30 GHEDRO N#Cc1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164696567 719885459 /nfs/dbraw/zinc/88/54/59/719885459.db2.gz AABRJLUUGBRUJJ-UHFFFAOYSA-N 1 0 388.924 3.540 20 30 GHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726358 720444982 /nfs/dbraw/zinc/44/49/82/720444982.db2.gz BTOASTINUCTJJQ-WOJBJXKFSA-N 1 0 387.512 3.930 20 30 GHEDRO Cc1cc(C#N)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164841918 720682425 /nfs/dbraw/zinc/68/24/25/720682425.db2.gz KEBDUYPKGJVJLM-QFIPXVFZSA-N 1 0 390.531 3.830 20 30 GHEDRO Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1CC#N ZINC001164839764 720716207 /nfs/dbraw/zinc/71/62/07/720716207.db2.gz MUIKIVJZZSGGRP-QFIPXVFZSA-N 1 0 390.531 3.716 20 30 GHEDRO CC(C)c1ccc(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164897052 721515116 /nfs/dbraw/zinc/51/51/16/721515116.db2.gz DKFJWMZCAOZNMC-QUCCMNQESA-N 1 0 380.467 3.558 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[NH+](C2CCCC2)CC1 ZINC001165030283 721852916 /nfs/dbraw/zinc/85/29/16/721852916.db2.gz TXMJPZIZUSRMLT-UHFFFAOYSA-N 1 0 375.250 3.870 20 30 GHEDRO CC(C)[C@@]1(CO)CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000580786863 837416714 /nfs/dbraw/zinc/41/67/14/837416714.db2.gz AVHUAVLDOMCDTC-NRFANRHFSA-N 1 0 389.565 3.558 20 30 GHEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480680982 837499165 /nfs/dbraw/zinc/49/91/65/837499165.db2.gz PCYIDZCJBNFWDV-WMLDXEAASA-N 1 0 392.341 3.838 20 30 GHEDRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000163544262 837666848 /nfs/dbraw/zinc/66/68/48/837666848.db2.gz KEGTVGJZJBDKME-IBGZPJMESA-N 1 0 377.492 3.605 20 30 GHEDRO O=C(C[NH+]1CCC(n2cc(Br)cn2)CC1)NC1CCCCCC1 ZINC000329238574 834609755 /nfs/dbraw/zinc/60/97/55/834609755.db2.gz PTQLMSGSIFAHIJ-UHFFFAOYSA-N 1 0 383.334 3.962 20 30 GHEDRO N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000583553627 834641644 /nfs/dbraw/zinc/64/16/44/834641644.db2.gz XVZHDPIUCCCOMI-UHFFFAOYSA-N 1 0 376.460 3.673 20 30 GHEDRO C[NH+](C)Cc1ccnc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 ZINC000176915305 837796512 /nfs/dbraw/zinc/79/65/12/837796512.db2.gz LIVSJMZIMQHWDK-UHFFFAOYSA-N 1 0 386.455 3.846 20 30 GHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)nc1 ZINC000430175381 834757486 /nfs/dbraw/zinc/75/74/86/834757486.db2.gz HOPZCTZMAAASEW-HNNXBMFYSA-N 1 0 395.356 3.687 20 30 GHEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177166103 837806395 /nfs/dbraw/zinc/80/63/95/837806395.db2.gz ZNQSJEAYEKPMPC-QGZVFWFLSA-N 1 0 380.454 3.931 20 30 GHEDRO CC(C)[NH+]1CCC(N2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)CC1 ZINC000536092514 834798548 /nfs/dbraw/zinc/79/85/48/834798548.db2.gz PFSLBQNJXPRIGS-UHFFFAOYSA-N 1 0 380.458 3.572 20 30 GHEDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCC(C)C ZINC000430186211 834855177 /nfs/dbraw/zinc/85/51/77/834855177.db2.gz MGAJWIPTDGPCPD-LJQANCHMSA-N 1 0 381.476 3.650 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000255951202 837817785 /nfs/dbraw/zinc/81/77/85/837817785.db2.gz XLKBMLHOLCKAQN-PKHIPVCBSA-N 1 0 380.488 3.692 20 30 GHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000246869093 834914371 /nfs/dbraw/zinc/91/43/71/834914371.db2.gz UNJPDHYSYNEOHS-GMAHTHKFSA-N 1 0 389.499 3.694 20 30 GHEDRO C=CCOc1c(Br)cc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1OCC ZINC000668740765 834916516 /nfs/dbraw/zinc/91/65/16/834916516.db2.gz XFSHJWUPAXSGTA-AUUYWEPGSA-N 1 0 398.341 3.863 20 30 GHEDRO N#CCCn1cc(C[NH2+]CC2(c3ccc(F)cc3F)CC2)c(-c2ccncc2)n1 ZINC000433323746 844014595 /nfs/dbraw/zinc/01/45/95/844014595.db2.gz YNJQXYMTORXQGC-UHFFFAOYSA-N 1 0 393.441 3.958 20 30 GHEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000685550667 835152381 /nfs/dbraw/zinc/15/23/81/835152381.db2.gz ZQPDETGZLAICGL-IBGZPJMESA-N 1 0 391.519 3.553 20 30 GHEDRO N#CCCn1cc(C[NH2+]CCCNc2cccc(F)c2)c(-c2ccncc2)n1 ZINC000433335802 844025423 /nfs/dbraw/zinc/02/54/23/844025423.db2.gz NCMHNZMRHDTHIT-UHFFFAOYSA-N 1 0 378.455 3.590 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(F)cc3C#N)cc2)C[C@H](C)O1 ZINC000097472960 835236556 /nfs/dbraw/zinc/23/65/56/835236556.db2.gz DZWAXILERDVXLR-HOTGVXAUSA-N 1 0 396.466 3.628 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000509856955 844042117 /nfs/dbraw/zinc/04/21/17/844042117.db2.gz ZIEXMBNTLRZYGW-KRWDZBQOSA-N 1 0 385.414 3.663 20 30 GHEDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278543721 835356580 /nfs/dbraw/zinc/35/65/80/835356580.db2.gz AJMZEXYNFJHVQH-HRAATJIYSA-N 1 0 393.466 3.600 20 30 GHEDRO C=C(C)C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cnn(C(C)C)c1 ZINC000512517374 844045208 /nfs/dbraw/zinc/04/52/08/844045208.db2.gz VIYQEHPOCUVMGH-UHFFFAOYSA-N 1 0 380.492 3.528 20 30 GHEDRO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278553685 835373962 /nfs/dbraw/zinc/37/39/62/835373962.db2.gz BSSNZBVYHNSXGH-SFHVURJKSA-N 1 0 375.476 3.724 20 30 GHEDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278564641 835406705 /nfs/dbraw/zinc/40/67/05/835406705.db2.gz CVQVDMZZLNVGRO-YJBOKZPZSA-N 1 0 381.505 3.522 20 30 GHEDRO CCN(CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278619159 835556050 /nfs/dbraw/zinc/55/60/50/835556050.db2.gz JNSIIJUZSCXTFK-UHFFFAOYSA-N 1 0 388.519 3.865 20 30 GHEDRO C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000586775187 835787077 /nfs/dbraw/zinc/78/70/77/835787077.db2.gz ITFZLJWNJNIDEN-VWNXMTODSA-N 1 0 378.516 3.936 20 30 GHEDRO CCOCc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)ccc1OC ZINC000179678205 835939343 /nfs/dbraw/zinc/93/93/43/835939343.db2.gz QFJPSNGQUCJUSI-UHFFFAOYSA-N 1 0 379.504 3.816 20 30 GHEDRO C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)c1cccc(C(=O)c2ccccc2)c1 ZINC000535624666 835955618 /nfs/dbraw/zinc/95/56/18/835955618.db2.gz YOZABPYZVDNNKB-LJQANCHMSA-N 1 0 391.515 3.715 20 30 GHEDRO C=CCC1(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCC1 ZINC000658725203 835956097 /nfs/dbraw/zinc/95/60/97/835956097.db2.gz ZKQKXJHMMIBCFB-UHFFFAOYSA-N 1 0 383.536 3.659 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000548908233 835958725 /nfs/dbraw/zinc/95/87/25/835958725.db2.gz NXKHYHRSBWLWQD-QGZVFWFLSA-N 1 0 392.933 3.812 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134799012 835998497 /nfs/dbraw/zinc/99/84/97/835998497.db2.gz MACZKTDFXNSBDC-RTWAWAEBSA-N 1 0 381.451 3.614 20 30 GHEDRO CC1(C)C[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c2ccc(F)cc2O1 ZINC000584465138 836013410 /nfs/dbraw/zinc/01/34/10/836013410.db2.gz VGCZWDAMYOAFMO-PXNSSMCTSA-N 1 0 384.451 3.523 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCOCC1 ZINC000179859936 836086903 /nfs/dbraw/zinc/08/69/03/836086903.db2.gz XOPVHVRRQGVNDC-AWEZNQCLSA-N 1 0 375.538 3.622 20 30 GHEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000548931785 836243531 /nfs/dbraw/zinc/24/35/31/836243531.db2.gz BASZSCMTMBUCPC-QFIPXVFZSA-N 1 0 390.531 3.777 20 30 GHEDRO CCCCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931306 836251365 /nfs/dbraw/zinc/25/13/65/836251365.db2.gz KQTMYWATDNBPTH-UHFFFAOYSA-N 1 0 379.504 3.941 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000065930644 836256238 /nfs/dbraw/zinc/25/62/38/836256238.db2.gz QMTAMHHMSVJMJI-UHFFFAOYSA-N 1 0 380.879 3.897 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613389520 836271344 /nfs/dbraw/zinc/27/13/44/836271344.db2.gz NICVDIHRFPUZJW-HLIPFELVSA-N 1 0 397.544 3.631 20 30 GHEDRO N#Cc1ccc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1[N+](=O)[O-] ZINC000582332887 836280283 /nfs/dbraw/zinc/28/02/83/836280283.db2.gz KEQSTSWYRFQLKZ-UHFFFAOYSA-N 1 0 377.448 3.742 20 30 GHEDRO Cc1ccc([C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000471969262 844152411 /nfs/dbraw/zinc/15/24/11/844152411.db2.gz RNRRUDOMWSPUES-GOTSBHOMSA-N 1 0 386.499 3.502 20 30 GHEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000174017911 836364687 /nfs/dbraw/zinc/36/46/87/836364687.db2.gz KLOFJGRCRGIYPZ-GOSISDBHSA-N 1 0 379.504 3.898 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000414169009 836385045 /nfs/dbraw/zinc/38/50/45/836385045.db2.gz ASNUHOVMJRJJGK-BBRMVZONSA-N 1 0 391.284 3.962 20 30 GHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000179972178 836490931 /nfs/dbraw/zinc/49/09/31/836490931.db2.gz KAXRZLLJMBMKBX-UZLBHIALSA-N 1 0 393.487 3.730 20 30 GHEDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1OCCCC#N ZINC000147162654 844188616 /nfs/dbraw/zinc/18/86/16/844188616.db2.gz MFCFKPPDLKGDFJ-UHFFFAOYSA-N 1 0 387.524 3.504 20 30 GHEDRO N#CCCN(C(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000170820852 836734219 /nfs/dbraw/zinc/73/42/19/836734219.db2.gz WMSAXHVAJLDKHN-HXUWFJFHSA-N 1 0 388.943 3.537 20 30 GHEDRO CC[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000413911906 836759498 /nfs/dbraw/zinc/75/94/98/836759498.db2.gz OLLLKUXTXTXJHW-INIZCTEOSA-N 1 0 396.457 3.754 20 30 GHEDRO Cn1cc(C[NH2+]CCCc2nc3ccccc3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000180231149 836767232 /nfs/dbraw/zinc/76/72/32/836767232.db2.gz GYBQYGMLXDVXEL-UHFFFAOYSA-N 1 0 384.487 3.568 20 30 GHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000175536444 836869973 /nfs/dbraw/zinc/86/99/73/836869973.db2.gz HPUOFNWLTSXDFI-UHFFFAOYSA-N 1 0 380.517 3.696 20 30 GHEDRO Cc1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)nn1-c1cccc(C#N)c1 ZINC000540945249 836891209 /nfs/dbraw/zinc/89/12/09/836891209.db2.gz AYHLXKODRBWPOG-QHCPKHFHSA-N 1 0 399.498 3.619 20 30 GHEDRO Cn1cc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180050094 836921065 /nfs/dbraw/zinc/92/10/65/836921065.db2.gz LJXONEZUDCDWDT-UHFFFAOYSA-N 1 0 387.487 3.965 20 30 GHEDRO Cc1cc(Br)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(C#N)c1 ZINC000892599846 836934774 /nfs/dbraw/zinc/93/47/74/836934774.db2.gz BYZXBPSSNGELFB-CQSZACIVSA-N 1 0 378.314 3.542 20 30 GHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3cccc(C#N)c3C)CC2)c1 ZINC000431706460 836995061 /nfs/dbraw/zinc/99/50/61/836995061.db2.gz UQSTZOYKRNOPHV-UHFFFAOYSA-N 1 0 391.519 3.509 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(OC(F)(F)F)ccc1F)CC2 ZINC001143542459 844228623 /nfs/dbraw/zinc/22/86/23/844228623.db2.gz SZQHXPYSLYBSBR-UHFFFAOYSA-N 1 0 386.389 3.867 20 30 GHEDRO Cc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(CO)c2)cc1C ZINC000027462129 837052176 /nfs/dbraw/zinc/05/21/76/837052176.db2.gz FKRIUBOESGHIAG-UHFFFAOYSA-O 1 0 397.564 3.944 20 30 GHEDRO CCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000028776998 837151328 /nfs/dbraw/zinc/15/13/28/837151328.db2.gz PYKRWQZDVIMPOI-UHFFFAOYSA-O 1 0 386.497 3.728 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)ccc1C#N ZINC000580134730 837285536 /nfs/dbraw/zinc/28/55/36/837285536.db2.gz QRQIDHNOIDTHEM-KRWDZBQOSA-N 1 0 386.293 3.698 20 30 GHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)nc1 ZINC000580657547 837381511 /nfs/dbraw/zinc/38/15/11/837381511.db2.gz QYOXMRYPFPTKAI-UHFFFAOYSA-N 1 0 399.292 3.566 20 30 GHEDRO C[C@H](O)[C@@](C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000188902931 837980460 /nfs/dbraw/zinc/98/04/60/837980460.db2.gz RBUQYITZTKULLZ-NBGIEHNGSA-N 1 0 391.559 3.742 20 30 GHEDRO CC(C)(C)c1cc(NC(=O)NC(C)(C)CCC[NH3+])n(-c2ccc(C#N)cc2)n1 ZINC000415704201 838005993 /nfs/dbraw/zinc/00/59/93/838005993.db2.gz RPYZVPSQFVCFHX-UHFFFAOYSA-N 1 0 382.512 3.680 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415805428 838132377 /nfs/dbraw/zinc/13/23/77/838132377.db2.gz NGWAJXKOZLFAHW-OCCSQVGLSA-N 1 0 382.302 3.653 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415812223 838139515 /nfs/dbraw/zinc/13/95/15/838139515.db2.gz ZYTBCIQSJFQNCF-CFVMTHIKSA-N 1 0 394.313 3.605 20 30 GHEDRO CON=Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000255127272 838148396 /nfs/dbraw/zinc/14/83/96/838148396.db2.gz NTRBNYADMZZKTC-DHIUTWEWSA-N 1 0 391.515 3.794 20 30 GHEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460773581 838170351 /nfs/dbraw/zinc/17/03/51/838170351.db2.gz VFWHWMVFOORLHJ-FPOVZHCZSA-N 1 0 397.567 3.908 20 30 GHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000023675231 838172893 /nfs/dbraw/zinc/17/28/93/838172893.db2.gz KZXJGXVQXJKRAI-RDPSFJRHSA-N 1 0 397.515 3.913 20 30 GHEDRO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000415907063 838261172 /nfs/dbraw/zinc/26/11/72/838261172.db2.gz MHOYLWZXLBQIPC-LJQANCHMSA-N 1 0 395.482 3.597 20 30 GHEDRO N#CCSc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000378020032 838291775 /nfs/dbraw/zinc/29/17/75/838291775.db2.gz RSEIZPWOGBMSCZ-IBGZPJMESA-N 1 0 379.529 3.944 20 30 GHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(C#N)c1C ZINC000178559521 838402881 /nfs/dbraw/zinc/40/28/81/838402881.db2.gz FYNXXPJHYHWTSQ-FQEVSTJZSA-N 1 0 377.492 3.780 20 30 GHEDRO CCCC[N@H+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001167329698 838421119 /nfs/dbraw/zinc/42/11/19/838421119.db2.gz HWFALFNXTRVRLE-HNNXBMFYSA-N 1 0 377.554 3.822 20 30 GHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000610321315 838432612 /nfs/dbraw/zinc/43/26/12/838432612.db2.gz PTBGUCPBMPUMSA-UHFFFAOYSA-N 1 0 393.491 3.989 20 30 GHEDRO C=CCOCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000311791106 838503940 /nfs/dbraw/zinc/50/39/40/838503940.db2.gz AFEVBOQQTMOMOO-UHFFFAOYSA-N 1 0 393.119 3.903 20 30 GHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000188055717 838508312 /nfs/dbraw/zinc/50/83/12/838508312.db2.gz CNSJLTVASSTPHV-XLIONFOSSA-N 1 0 385.552 3.666 20 30 GHEDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H]1C ZINC000188102220 838521675 /nfs/dbraw/zinc/52/16/75/838521675.db2.gz IQBJXTKLGBYAIL-VGSWGCGISA-N 1 0 378.472 3.768 20 30 GHEDRO CCN1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549113623 838563780 /nfs/dbraw/zinc/56/37/80/838563780.db2.gz LKTGZGWECDAZDL-TZIWHRDSSA-N 1 0 389.421 3.779 20 30 GHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(C#N)cc3OC)CCN2C2CC2)c1 ZINC000549114071 838569305 /nfs/dbraw/zinc/56/93/05/838569305.db2.gz PZSJKSAWSDXRBK-FYYLOGMGSA-N 1 0 377.488 3.643 20 30 GHEDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000610343967 838569626 /nfs/dbraw/zinc/56/96/26/838569626.db2.gz XGTIXOPJYZEMJG-DLBZAZTESA-N 1 0 392.503 3.718 20 30 GHEDRO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610347469 838590890 /nfs/dbraw/zinc/59/08/90/838590890.db2.gz BBZIZGZIKZIUFR-GOSISDBHSA-N 1 0 376.504 3.626 20 30 GHEDRO N#Cc1csc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000177693460 838714257 /nfs/dbraw/zinc/71/42/57/838714257.db2.gz VIEBRHBIVLTHLY-GOSISDBHSA-N 1 0 395.450 3.802 20 30 GHEDRO Cn1ccnc1C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 ZINC000610366826 838717464 /nfs/dbraw/zinc/71/74/64/838717464.db2.gz FPBYMTWUUXRGPB-GOSISDBHSA-N 1 0 390.491 3.954 20 30 GHEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000177700230 838742802 /nfs/dbraw/zinc/74/28/02/838742802.db2.gz WXZWVWDFSCDPRJ-UHFFFAOYSA-N 1 0 378.295 3.809 20 30 GHEDRO COC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(Cl)c1F ZINC000376833038 838769680 /nfs/dbraw/zinc/76/96/80/838769680.db2.gz HAMAYIWBIXRRIA-SFHVURJKSA-N 1 0 388.874 3.692 20 30 GHEDRO C=CC[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)C1 ZINC000626219558 838953396 /nfs/dbraw/zinc/95/33/96/838953396.db2.gz HUXGHEZSOJUTRP-INIZCTEOSA-N 1 0 376.932 3.912 20 30 GHEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000414943185 839001524 /nfs/dbraw/zinc/00/15/24/839001524.db2.gz LQTDFENKDBHWPM-QRWLVFNGSA-N 1 0 391.475 3.544 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C2 ZINC000579474316 839002004 /nfs/dbraw/zinc/00/20/04/839002004.db2.gz QUTGQZZNUQSHNI-MORSLUCNSA-N 1 0 389.425 3.741 20 30 GHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)cc1F ZINC000610402632 839090369 /nfs/dbraw/zinc/09/03/69/839090369.db2.gz XWYZBFKIRHOENE-HXUWFJFHSA-N 1 0 394.494 3.751 20 30 GHEDRO C=CCC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000363830492 839140076 /nfs/dbraw/zinc/14/00/76/839140076.db2.gz XOQYECLEOIVYSR-FCHUYYIVSA-N 1 0 384.568 3.504 20 30 GHEDRO N#CC1(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000378481883 839194443 /nfs/dbraw/zinc/19/44/43/839194443.db2.gz KXAHVVNHDRVLDQ-RCZVLFRGSA-N 1 0 385.511 3.565 20 30 GHEDRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328710880 839268193 /nfs/dbraw/zinc/26/81/93/839268193.db2.gz AXBAXEISMHDLKN-HBFSDRIKSA-N 1 0 381.524 3.734 20 30 GHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000328725534 839500993 /nfs/dbraw/zinc/50/09/93/839500993.db2.gz BLSRJMPHMFIKQS-IBGZPJMESA-N 1 0 385.556 3.671 20 30 GHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000328725535 839501392 /nfs/dbraw/zinc/50/13/92/839501392.db2.gz BLSRJMPHMFIKQS-LJQANCHMSA-N 1 0 385.556 3.671 20 30 GHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1C#N ZINC000275881687 839533514 /nfs/dbraw/zinc/53/35/14/839533514.db2.gz OYSSDSOZIRUECG-UAPYVXQJSA-N 1 0 386.540 3.656 20 30 GHEDRO [NH3+]CC[C@@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)F ZINC000415535872 839925663 /nfs/dbraw/zinc/92/56/63/839925663.db2.gz DQCZKXLTRIXZSF-NXEZZACHSA-N 1 0 393.278 3.591 20 30 GHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000579772557 839976882 /nfs/dbraw/zinc/97/68/82/839976882.db2.gz ABSSMZFPXGIYBF-UHFFFAOYSA-N 1 0 398.551 3.782 20 30 GHEDRO COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000047986700 840001287 /nfs/dbraw/zinc/00/12/87/840001287.db2.gz IECAPJNCWMHUQE-VGSWGCGISA-N 1 0 392.503 3.764 20 30 GHEDRO C#CCC1(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCCCC1 ZINC000364384376 840127011 /nfs/dbraw/zinc/12/70/11/840127011.db2.gz OHZSGGRGASYKLB-UHFFFAOYSA-N 1 0 387.612 3.615 20 30 GHEDRO [NH2+]=C(NCc1cnn(-c2ccccc2)c1)Nc1ccccc1OC(F)(F)F ZINC000160631299 840171355 /nfs/dbraw/zinc/17/13/55/840171355.db2.gz MGXKHXUHROBFPX-UHFFFAOYSA-N 1 0 375.354 3.698 20 30 GHEDRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000580779348 840173759 /nfs/dbraw/zinc/17/37/59/840173759.db2.gz TYUIUWYWGJILIP-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C1 ZINC000579857506 840174665 /nfs/dbraw/zinc/17/46/65/840174665.db2.gz ZFXKIJGQZJYOSK-IBGZPJMESA-N 1 0 380.540 3.641 20 30 GHEDRO N#Cc1ccc(NCC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000609462707 840345317 /nfs/dbraw/zinc/34/53/17/840345317.db2.gz DAADTROHCTTZLN-NRFANRHFSA-N 1 0 396.922 3.794 20 30 GHEDRO [NH2+]=C(NCc1ccc(-n2ccnc2)c(F)c1)Nc1ccccc1OC(F)(F)F ZINC000160691923 840454807 /nfs/dbraw/zinc/45/48/07/840454807.db2.gz BSXCPEAIBCTEFD-UHFFFAOYSA-N 1 0 393.344 3.837 20 30 GHEDRO N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)nc1 ZINC000580933329 840458850 /nfs/dbraw/zinc/45/88/50/840458850.db2.gz STCSQBQHHSTGDA-DQVLVPHSSA-N 1 0 396.535 3.557 20 30 GHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1c(C)nn(C)c1C ZINC000541594889 840483420 /nfs/dbraw/zinc/48/34/20/840483420.db2.gz JMYBWWUECBODBS-MLGOLLRUSA-N 1 0 385.537 3.527 20 30 GHEDRO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)c(C)s1)N(C)Cc1ccon1 ZINC000261700612 844544128 /nfs/dbraw/zinc/54/41/28/844544128.db2.gz GCBPUAFPFUWRBO-UHFFFAOYSA-N 1 0 389.912 3.967 20 30 GHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508800072 844547906 /nfs/dbraw/zinc/54/79/06/844547906.db2.gz DMJYYCOTCOMZAS-IBGZPJMESA-N 1 0 392.551 3.635 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC(CCC#N)CC1 ZINC000563058581 840533206 /nfs/dbraw/zinc/53/32/06/840533206.db2.gz NSEFKMPBOWWKBN-RTBURBONSA-N 1 0 382.552 3.868 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)CC2)c1 ZINC000511713907 840560969 /nfs/dbraw/zinc/56/09/69/840560969.db2.gz RRTOQBOWLWYEST-OAQYLSRUSA-N 1 0 383.511 3.890 20 30 GHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511717368 840564303 /nfs/dbraw/zinc/56/43/03/840564303.db2.gz WZTZTQNHYNRYSL-PGRDOPGGSA-N 1 0 391.515 3.742 20 30 GHEDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417362307 840769106 /nfs/dbraw/zinc/76/91/06/840769106.db2.gz JPAXRKDTGKRABI-FZKQIMNGSA-N 1 0 386.293 3.538 20 30 GHEDRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417369922 840786016 /nfs/dbraw/zinc/78/60/16/840786016.db2.gz RZQYFOZXHBWCMB-DNQXCXABSA-N 1 0 375.516 3.907 20 30 GHEDRO N#Cc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C2CC2)cc1 ZINC000584787173 840868818 /nfs/dbraw/zinc/86/88/18/840868818.db2.gz MTMANDZUUZBRNZ-UHFFFAOYSA-N 1 0 376.508 3.606 20 30 GHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511825737 840873146 /nfs/dbraw/zinc/87/31/46/840873146.db2.gz YKTLEIOEMKFYLT-LNLFQRSKSA-N 1 0 381.442 3.986 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCC3CCOCC3)sc2C1 ZINC000120609778 844591759 /nfs/dbraw/zinc/59/17/59/844591759.db2.gz VBSYUARBTFICGR-HNNXBMFYSA-N 1 0 389.565 3.822 20 30 GHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000120611494 844591785 /nfs/dbraw/zinc/59/17/85/844591785.db2.gz LDHWYIHAKTXFGI-UHFFFAOYSA-N 1 0 383.442 3.998 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000660597607 840981426 /nfs/dbraw/zinc/98/14/26/840981426.db2.gz RSCHMXAHQROMCA-IBGZPJMESA-N 1 0 375.488 3.721 20 30 GHEDRO C=CCC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000417909756 841260927 /nfs/dbraw/zinc/26/09/27/841260927.db2.gz DHLFAEJZWPAKNB-UONOGXRCSA-N 1 0 379.373 3.994 20 30 GHEDRO N#CCSc1cccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000364168841 841274718 /nfs/dbraw/zinc/27/47/18/841274718.db2.gz RWTMXJDFDRTNQE-IBGZPJMESA-N 1 0 379.529 3.597 20 30 GHEDRO COCC[NH2+]C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000593757471 861204656 /nfs/dbraw/zinc/20/46/56/861204656.db2.gz NIUPXQSACSDENL-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1OC ZINC000623560839 861204708 /nfs/dbraw/zinc/20/47/08/861204708.db2.gz UMMOJQBYEZSMLL-GOSISDBHSA-N 1 0 386.879 3.957 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc3nsnc3c1)c1ccccc1O2 ZINC000329250772 861206655 /nfs/dbraw/zinc/20/66/55/861206655.db2.gz XUGWGIGTEHWTNK-GOSISDBHSA-N 1 0 394.500 3.984 20 30 GHEDRO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cnc1N1CCCC[C@@H]1C ZINC000329254631 861208878 /nfs/dbraw/zinc/20/88/78/861208878.db2.gz WZHWSSCIMLBFEW-NLWGTHIKSA-N 1 0 385.556 3.873 20 30 GHEDRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418143913 841554366 /nfs/dbraw/zinc/55/43/66/841554366.db2.gz JNBIEZKEODADAT-KKSFZXQISA-N 1 0 377.488 3.872 20 30 GHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000581530454 841611769 /nfs/dbraw/zinc/61/17/69/841611769.db2.gz JDWSYFQGRUOTBF-QGZVFWFLSA-N 1 0 380.540 3.535 20 30 GHEDRO C=C[C@H](CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000123167375 841618271 /nfs/dbraw/zinc/61/82/71/841618271.db2.gz GFNZVYYIKIVQLN-NQIIRXRSSA-N 1 0 391.515 3.682 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000623579345 861220294 /nfs/dbraw/zinc/22/02/94/861220294.db2.gz XUTJUKKWLRZKMH-KRWDZBQOSA-N 1 0 377.479 3.894 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2sccc21 ZINC000136575062 841638345 /nfs/dbraw/zinc/63/83/45/841638345.db2.gz JWIAFWZWIQMBRF-LJQANCHMSA-N 1 0 382.533 3.771 20 30 GHEDRO O=C(N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810468 841682451 /nfs/dbraw/zinc/68/24/51/841682451.db2.gz AUPVBHUJIWEHHG-CABCVRRESA-N 1 0 398.322 3.645 20 30 GHEDRO CCC[NH+]1CCC(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000500235328 841708881 /nfs/dbraw/zinc/70/88/81/841708881.db2.gz YRYZLCYMLUZAAM-UHFFFAOYSA-N 1 0 391.515 3.989 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)cc2)C1 ZINC000329270555 861229066 /nfs/dbraw/zinc/22/90/66/861229066.db2.gz IVMLTHCTVPICKB-HRQSHJORSA-N 1 0 398.551 3.629 20 30 GHEDRO O=C(NCCC[NH2+]C1CC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662825797 841715697 /nfs/dbraw/zinc/71/56/97/841715697.db2.gz YHHWQHGDGLTWAP-UHFFFAOYSA-N 1 0 386.311 3.848 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000045757572 841776115 /nfs/dbraw/zinc/77/61/15/841776115.db2.gz FUWAQKRSGWZTLW-UHFFFAOYSA-N 1 0 376.504 3.673 20 30 GHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000477120521 841819765 /nfs/dbraw/zinc/81/97/65/841819765.db2.gz JQOQTWANHDYRSX-GOSISDBHSA-N 1 0 389.565 3.532 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000610522840 841926394 /nfs/dbraw/zinc/92/63/94/841926394.db2.gz BCCMYVARAHQGKG-GHTZIAJQSA-N 1 0 386.499 3.805 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@](C)(CC(=O)OC)c2ccncc2)ccc1OC ZINC000276506228 842035894 /nfs/dbraw/zinc/03/58/94/842035894.db2.gz YRLJQQNJRCYSGS-JOCHJYFZSA-N 1 0 384.476 3.613 20 30 GHEDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610530945 842070501 /nfs/dbraw/zinc/07/05/01/842070501.db2.gz HYUYOVDAYDGBKP-KGVIQGDOSA-N 1 0 376.504 3.829 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3nccs3)sc2C1 ZINC000157902265 842072655 /nfs/dbraw/zinc/07/26/55/842072655.db2.gz ZUXKTQQPKIHRCY-ZDUSSCGKSA-N 1 0 388.562 3.704 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc(C#N)c1 ZINC000432335342 842075279 /nfs/dbraw/zinc/07/52/79/842075279.db2.gz KBZLAXWYHCEFKZ-FZKQIMNGSA-N 1 0 384.277 3.777 20 30 GHEDRO CC(C)Oc1ccc2ccccc2c1C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121442560 842076386 /nfs/dbraw/zinc/07/63/86/842076386.db2.gz YNFQMGTTXRWUHK-UHFFFAOYSA-N 1 0 377.492 3.869 20 30 GHEDRO C=CCOCCCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000661795567 842179172 /nfs/dbraw/zinc/17/91/72/842179172.db2.gz CHCXFVQECDBSMH-UHFFFAOYSA-N 1 0 399.457 3.515 20 30 GHEDRO C=CCN1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000177912551 861281337 /nfs/dbraw/zinc/28/13/37/861281337.db2.gz YHRKGUQNGZUOEK-CQSZACIVSA-N 1 0 385.430 3.542 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000329328351 861288604 /nfs/dbraw/zinc/28/86/04/861288604.db2.gz KLNDNCAEKWAKLN-YCZSINBZSA-N 1 0 391.600 3.959 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCCC[C@@H]2CCO)c1C#N ZINC000585754702 842262925 /nfs/dbraw/zinc/26/29/25/842262925.db2.gz VHRSIBNLOJPGFD-GOSISDBHSA-N 1 0 386.540 3.657 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCCOC3)sc2c1CCCCC2 ZINC000585756230 842263850 /nfs/dbraw/zinc/26/38/50/842263850.db2.gz NJDWJGUCPZUXLZ-OAQYLSRUSA-N 1 0 387.549 3.720 20 30 GHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CO)c2ccsc2)sc2c1CCCCC2 ZINC000473156245 842285432 /nfs/dbraw/zinc/28/54/32/842285432.db2.gz AUFVGNIPIYZSGL-MRXNPFEDSA-N 1 0 389.546 3.602 20 30 GHEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000581868844 842340958 /nfs/dbraw/zinc/34/09/58/842340958.db2.gz ZBVUDDDMBRNXGN-NRFANRHFSA-N 1 0 377.488 3.692 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](n2ncc3ccccc32)C1)C(C)C ZINC000510488644 842563825 /nfs/dbraw/zinc/56/38/25/842563825.db2.gz IJAKWEBIKLEKTA-RBBKRZOGSA-N 1 0 395.551 3.691 20 30 GHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512169208 842721344 /nfs/dbraw/zinc/72/13/44/842721344.db2.gz XHMNXUDUYBOHBL-UHFFFAOYSA-N 1 0 393.506 3.731 20 30 GHEDRO C=CCOCCCNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663217469 842816429 /nfs/dbraw/zinc/81/64/29/842816429.db2.gz JHDZDBIQEUKKEA-JOCHJYFZSA-N 1 0 399.579 3.911 20 30 GHEDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000599574716 861350257 /nfs/dbraw/zinc/35/02/57/861350257.db2.gz YZPVASSCQFPRAR-IIBYNOLFSA-N 1 0 380.467 3.987 20 30 GHEDRO C[C@H]([NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)C(=O)Nc1ccccc1C#N ZINC000471861291 842922379 /nfs/dbraw/zinc/92/23/79/842922379.db2.gz NNSBOLTZLVMQDK-ZLGUVYLKSA-N 1 0 377.488 3.859 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279319000 842978597 /nfs/dbraw/zinc/97/85/97/842978597.db2.gz DEXHIYPPPQTDBQ-YSIASYRMSA-N 1 0 390.487 3.573 20 30 GHEDRO CC[C@@H](O)C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000279349709 843018308 /nfs/dbraw/zinc/01/83/08/843018308.db2.gz FXSYHNSXZXBCRC-JOCHJYFZSA-N 1 0 389.503 3.632 20 30 GHEDRO C[N@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000610581455 843062739 /nfs/dbraw/zinc/06/27/39/843062739.db2.gz DKBUVGKSCZRSHX-ZCNNSNEGSA-N 1 0 395.528 3.825 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccc(OC)nc2)cc1 ZINC000171063803 861376124 /nfs/dbraw/zinc/37/61/24/861376124.db2.gz YEPJUPAKLSSQJI-UHFFFAOYSA-O 1 0 392.504 3.991 20 30 GHEDRO C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000610582572 843102245 /nfs/dbraw/zinc/10/22/45/843102245.db2.gz ACNFMHZYKPQLBI-XPECPCTNSA-N 1 0 393.535 3.533 20 30 GHEDRO CCc1nc2cc(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)ccc2n1C1CC1 ZINC000261601069 843293202 /nfs/dbraw/zinc/29/32/02/843293202.db2.gz BPMGKMWQIATXQW-GOSISDBHSA-N 1 0 389.503 3.862 20 30 GHEDRO [NH2+]=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)Nc1cccc(Oc2ccccc2)c1 ZINC000261602094 843307591 /nfs/dbraw/zinc/30/75/91/843307591.db2.gz BZPOLIIHXGZGLE-UTKZUKDTSA-N 1 0 395.503 3.773 20 30 GHEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000279831756 843419356 /nfs/dbraw/zinc/41/93/56/843419356.db2.gz GVDYOYKUMDCRLF-UHFFFAOYSA-N 1 0 376.504 3.882 20 30 GHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000510763809 843435258 /nfs/dbraw/zinc/43/52/58/843435258.db2.gz MPSSUTFBJWVKRE-NRFANRHFSA-N 1 0 399.878 3.908 20 30 GHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000418639883 843496561 /nfs/dbraw/zinc/49/65/61/843496561.db2.gz MGANQTTYJFVJLI-UHFFFAOYSA-N 1 0 392.478 3.719 20 30 GHEDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000599635869 861429241 /nfs/dbraw/zinc/42/92/41/861429241.db2.gz BKEONGWSIXGXIU-XUZZJYLKSA-N 1 0 392.499 3.740 20 30 GHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000555626154 861429460 /nfs/dbraw/zinc/42/94/60/861429460.db2.gz GUISHVDOXBFISN-GJZGRUSLSA-N 1 0 377.423 3.561 20 30 GHEDRO Cc1c(C#N)cccc1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000510816467 843564228 /nfs/dbraw/zinc/56/42/28/843564228.db2.gz NXSYRVADXPUUKO-UHFFFAOYSA-N 1 0 376.504 3.897 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1csc(Br)c1 ZINC000128696481 843571188 /nfs/dbraw/zinc/57/11/88/843571188.db2.gz CHTVWWQMRZDKKC-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000500528130 843592695 /nfs/dbraw/zinc/59/26/95/843592695.db2.gz SOEWBQARILCKTP-VXKWHMMOSA-N 1 0 395.551 3.997 20 30 GHEDRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000329442432 861437410 /nfs/dbraw/zinc/43/74/10/861437410.db2.gz NFTOGQCBSVTQHB-IRXDYDNUSA-N 1 0 385.508 3.681 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599641296 861437678 /nfs/dbraw/zinc/43/76/78/861437678.db2.gz MRSDOODWWPKJTD-UHFFFAOYSA-N 1 0 399.520 3.554 20 30 GHEDRO C[NH+](C)C1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCCCCC1 ZINC000510857008 843636682 /nfs/dbraw/zinc/63/66/82/843636682.db2.gz KBHXVLUZAYYDRU-UHFFFAOYSA-N 1 0 398.551 3.766 20 30 GHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549667025 843662194 /nfs/dbraw/zinc/66/21/94/843662194.db2.gz JHRMKJHWXYQRFK-HXUWFJFHSA-N 1 0 396.583 3.952 20 30 GHEDRO CS(=O)(=O)N(Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000418843502 843711434 /nfs/dbraw/zinc/71/14/34/843711434.db2.gz KCEFZHUMYVNUQT-UHFFFAOYSA-N 1 0 383.517 3.510 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nc4c(s3)CCCC4)CC2)cc1 ZINC000181959282 843720315 /nfs/dbraw/zinc/72/03/15/843720315.db2.gz MIRFOQSZWOYMJG-UHFFFAOYSA-N 1 0 380.561 3.690 20 30 GHEDRO Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CCC(F)(C#N)CC2)c2ccccc2)cc1 ZINC000510918152 843821693 /nfs/dbraw/zinc/82/16/93/843821693.db2.gz QDARNVFFWCBIST-FCHUYYIVSA-N 1 0 382.479 3.790 20 30 GHEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000512449905 843839255 /nfs/dbraw/zinc/83/92/55/843839255.db2.gz MJOOAEQRDQZSFZ-BZSNNMDCSA-N 1 0 389.565 3.892 20 30 GHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549670054 843877940 /nfs/dbraw/zinc/87/79/40/843877940.db2.gz NPAWJYQJKMDASJ-UHFFFAOYSA-N 1 0 383.540 3.545 20 30 GHEDRO O=C(C[N@@H+]1CCSC2(CCC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000411871761 843923178 /nfs/dbraw/zinc/92/31/78/843923178.db2.gz SJTIGIQEAFCCHX-UHFFFAOYSA-N 1 0 396.478 3.535 20 30 GHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C2 ZINC000599676351 861474448 /nfs/dbraw/zinc/47/44/48/861474448.db2.gz BBJWRNRSNTZSLA-KRWDZBQOSA-N 1 0 390.405 3.569 20 30 GHEDRO C#CCOc1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000731113106 861475744 /nfs/dbraw/zinc/47/57/44/861475744.db2.gz UYUDXXKDAHPFNQ-QFIPXVFZSA-N 1 0 393.487 3.666 20 30 GHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)c1 ZINC000509840679 843962446 /nfs/dbraw/zinc/96/24/46/843962446.db2.gz VFJIGWAJGABKRX-MRXNPFEDSA-N 1 0 397.519 3.819 20 30 GHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419307364 843963019 /nfs/dbraw/zinc/96/30/19/843963019.db2.gz ZUJZQADYNHKUGX-INIZCTEOSA-N 1 0 375.444 3.934 20 30 GHEDRO COc1cccc(OC)c1OCCCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677411 861476287 /nfs/dbraw/zinc/47/62/87/861476287.db2.gz GYTHPSMVPSXUPU-UHFFFAOYSA-N 1 0 380.488 3.987 20 30 GHEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000599651954 861478193 /nfs/dbraw/zinc/47/81/93/861478193.db2.gz JDWQXMJTRAVJLT-XVGQJIODSA-N 1 0 398.304 3.725 20 30 GHEDRO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(F)cc(C#N)c1 ZINC000512922110 843990161 /nfs/dbraw/zinc/99/01/61/843990161.db2.gz VITVZWIVQMPXJG-NRFANRHFSA-N 1 0 379.479 3.756 20 30 GHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cc1Cl ZINC000433320467 844009791 /nfs/dbraw/zinc/00/97/91/844009791.db2.gz UOIUGKJOYIYIID-HXUWFJFHSA-N 1 0 383.879 3.644 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000181050536 844689603 /nfs/dbraw/zinc/68/96/03/844689603.db2.gz QLCSLLVDGDMVGC-LJQANCHMSA-N 1 0 376.504 3.776 20 30 GHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000599661277 861491931 /nfs/dbraw/zinc/49/19/31/861491931.db2.gz SIXLPVBDRBPCHN-MRXNPFEDSA-N 1 0 382.508 3.679 20 30 GHEDRO COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C#N)cc3F)C2)cc(OC)c1 ZINC000512617729 844776387 /nfs/dbraw/zinc/77/63/87/844776387.db2.gz GNUWSSXCSRKPST-YJBOKZPZSA-N 1 0 383.467 3.640 20 30 GHEDRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cn1 ZINC000599695614 861502059 /nfs/dbraw/zinc/50/20/59/861502059.db2.gz DRLNYHICNKPKKP-BTYIYWSLSA-N 1 0 396.466 3.605 20 30 GHEDRO Cc1cccc(N2CCN(CCC[NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)c1 ZINC000512636452 844845909 /nfs/dbraw/zinc/84/59/09/844845909.db2.gz LGJIMAIRJZDVST-LJQANCHMSA-N 1 0 380.511 3.869 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000512636775 844851881 /nfs/dbraw/zinc/85/18/81/844851881.db2.gz OABBDKPXCOQKMX-WFASDCNBSA-N 1 0 382.357 3.807 20 30 GHEDRO CCOC(=O)C[C@H]1CCN(Cc2cc(Br)ccc2C#N)C[C@H]1C ZINC001141907871 861505298 /nfs/dbraw/zinc/50/52/98/861505298.db2.gz RSGUYXCNOOESDL-ZIAGYGMSSA-N 1 0 379.298 3.732 20 30 GHEDRO COc1cc(NC(=O)CN(C)Cc2ccc(C(C)(C)C#N)cc2)cc(OC)c1 ZINC000614175885 844866105 /nfs/dbraw/zinc/86/61/05/844866105.db2.gz JMYYSGSFEMNZLW-UHFFFAOYSA-N 1 0 381.476 3.575 20 30 GHEDRO N#CCCN(C(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000151148558 844988930 /nfs/dbraw/zinc/98/89/30/844988930.db2.gz HXXXHRHMIOSROD-IBGZPJMESA-N 1 0 388.943 3.537 20 30 GHEDRO Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)ccc1C[NH+](C)C ZINC000458327185 845014060 /nfs/dbraw/zinc/01/40/60/845014060.db2.gz VLKSJWCYKHOQDQ-UHFFFAOYSA-N 1 0 382.533 3.979 20 30 GHEDRO COC[C@H](C)[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21 ZINC000599683731 861525473 /nfs/dbraw/zinc/52/54/73/861525473.db2.gz UUTMYVCPQFLALU-SNYIIPAISA-N 1 0 394.515 3.517 20 30 GHEDRO N#Cc1cccc(-c2nnc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)o2)c1 ZINC000333412963 845180422 /nfs/dbraw/zinc/18/04/22/845180422.db2.gz DMPWQKCWLHRFGW-LJQANCHMSA-N 1 0 379.508 3.696 20 30 GHEDRO Cn1cc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2ccccc21 ZINC000128885861 845200235 /nfs/dbraw/zinc/20/02/35/845200235.db2.gz HFLPXTRUZYWPSV-UHFFFAOYSA-N 1 0 388.515 3.573 20 30 GHEDRO CC(C)C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCCc2cccnc21 ZINC000614217125 845221212 /nfs/dbraw/zinc/22/12/12/845221212.db2.gz HPFXIOSSRUTMDC-GGAORHGYSA-N 1 0 393.531 3.923 20 30 GHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)cn2)cc1 ZINC000599719743 861548747 /nfs/dbraw/zinc/54/87/47/861548747.db2.gz UXMVDRGNFBNMPP-LJQANCHMSA-N 1 0 391.475 3.884 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1(c2ccccc2)CCCC1 ZINC000614222346 845291362 /nfs/dbraw/zinc/29/13/62/845291362.db2.gz AIHBRGBBDDDRFY-SIKLNZKXSA-N 1 0 378.516 3.982 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1 ZINC000614235848 845370499 /nfs/dbraw/zinc/37/04/99/845370499.db2.gz KRKBHFZUQOUNHQ-LJQANCHMSA-N 1 0 387.487 3.649 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000538406849 845411245 /nfs/dbraw/zinc/41/12/45/845411245.db2.gz WFOBHRLNPWEPRA-FZKQIMNGSA-N 1 0 389.377 3.913 20 30 GHEDRO Cc1cc(NC(=O)Cc2c(F)cccc2C#N)ccc1OCC[NH+]1CCCC1 ZINC000512794279 845535553 /nfs/dbraw/zinc/53/55/53/845535553.db2.gz YYSWBVHZBHSXPB-UHFFFAOYSA-N 1 0 381.451 3.662 20 30 GHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000555686279 861582395 /nfs/dbraw/zinc/58/23/95/861582395.db2.gz DXMNZXIPYBUEDM-HXUWFJFHSA-N 1 0 387.487 3.710 20 30 GHEDRO CC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000121738216 845890946 /nfs/dbraw/zinc/89/09/46/845890946.db2.gz RZCZNWUNBCIJQF-QFIPXVFZSA-N 1 0 379.479 3.925 20 30 GHEDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115368574 845970012 /nfs/dbraw/zinc/97/00/12/845970012.db2.gz ZJVMGROSPPOSKP-NRFANRHFSA-N 1 0 377.488 3.694 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1OC ZINC000414515636 846193929 /nfs/dbraw/zinc/19/39/29/846193929.db2.gz NRBKUGFCFPTSNI-IPYPFGDCSA-N 1 0 384.314 3.926 20 30 GHEDRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000280316202 846360810 /nfs/dbraw/zinc/36/08/10/846360810.db2.gz XOIISMSNQUOLRK-UHFFFAOYSA-N 1 0 387.487 3.882 20 30 GHEDRO N#Cc1cccc2c1CCN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000421659866 846445814 /nfs/dbraw/zinc/44/58/14/846445814.db2.gz YSFNSQFCYWGPRC-LJQANCHMSA-N 1 0 381.426 3.605 20 30 GHEDRO N#CC1(CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCC1 ZINC000419467453 846585195 /nfs/dbraw/zinc/58/51/95/846585195.db2.gz XYNDHVWSVRABNO-UHFFFAOYSA-N 1 0 382.552 3.714 20 30 GHEDRO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)nn1-c1cccc(C#N)c1 ZINC000502948995 846647398 /nfs/dbraw/zinc/64/73/98/846647398.db2.gz KXQZYAZXIRXRJY-UHFFFAOYSA-N 1 0 399.498 3.578 20 30 GHEDRO COc1cc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(F)cc1C#N ZINC000599816220 861715690 /nfs/dbraw/zinc/71/56/90/861715690.db2.gz CJHAGYOTKPLDQS-RHSMWYFYSA-N 1 0 382.439 3.663 20 30 GHEDRO COc1cc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(F)cc1C#N ZINC000599816280 861715856 /nfs/dbraw/zinc/71/58/56/861715856.db2.gz LJOWOLZXGVGYED-UHFFFAOYSA-N 1 0 388.487 3.826 20 30 GHEDRO COc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1OCCCC#N ZINC000414564507 846771568 /nfs/dbraw/zinc/77/15/68/846771568.db2.gz VZALGSBOENHVND-UHFFFAOYSA-N 1 0 384.520 3.655 20 30 GHEDRO COc1cc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c(F)cc1C#N ZINC000599817825 861721723 /nfs/dbraw/zinc/72/17/23/861721723.db2.gz NCRHCHNDIWDUJC-UHFFFAOYSA-N 1 0 398.482 3.734 20 30 GHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc(OC)c(C#N)cc2F)c1 ZINC000599818749 861724825 /nfs/dbraw/zinc/72/48/25/861724825.db2.gz ZPBQUXLTAOYCOO-UHFFFAOYSA-N 1 0 384.455 3.869 20 30 GHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000158347801 846845948 /nfs/dbraw/zinc/84/59/48/846845948.db2.gz AZPRNGVORVMSHC-UHFFFAOYSA-N 1 0 379.460 3.556 20 30 GHEDRO N#CC(CC[NH2+][C@@H]1CCOC12CCOCC2)(c1ccccc1)c1ccccc1 ZINC000934401499 847003446 /nfs/dbraw/zinc/00/34/46/847003446.db2.gz CHFOBKNXLGUSDI-JOCHJYFZSA-N 1 0 376.500 3.814 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179744273 861745058 /nfs/dbraw/zinc/74/50/58/861745058.db2.gz JSWCLZLXUQMZIS-UHFFFAOYSA-N 1 0 382.483 3.835 20 30 GHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272678890 847144460 /nfs/dbraw/zinc/14/44/60/847144460.db2.gz MYOLGSZAZWHJOK-HKUYNNGSSA-N 1 0 378.476 3.716 20 30 GHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502164533 847544352 /nfs/dbraw/zinc/54/43/52/847544352.db2.gz QGEBWLVLDYJPIH-CEXWTWQISA-N 1 0 380.536 3.723 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cccc(OC(F)(F)F)c1 ZINC000127834253 847568176 /nfs/dbraw/zinc/56/81/76/847568176.db2.gz RATWDGUQAGDBPL-UHFFFAOYSA-N 1 0 383.395 3.979 20 30 GHEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000159274439 847579108 /nfs/dbraw/zinc/57/91/08/847579108.db2.gz LFRRLCDVZPXKQM-UHFFFAOYSA-N 1 0 383.536 3.686 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000502281201 847688966 /nfs/dbraw/zinc/68/89/66/847688966.db2.gz OPFTXIFEQWJDCL-HXUWFJFHSA-N 1 0 380.517 3.721 20 30 GHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611673941 847887732 /nfs/dbraw/zinc/88/77/32/847887732.db2.gz MSTWXSWOBIYSOT-HXUWFJFHSA-N 1 0 397.544 3.894 20 30 GHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000502502028 847944009 /nfs/dbraw/zinc/94/40/09/847944009.db2.gz NKNUWTSEWRWRSN-OAQYLSRUSA-N 1 0 391.556 3.553 20 30 GHEDRO CSc1ccc(N2C[C@@H](C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2=O)cc1 ZINC000329635378 861856414 /nfs/dbraw/zinc/85/64/14/861856414.db2.gz UMBZBSJQKDOIFN-UNPWZGGWSA-N 1 0 387.549 3.733 20 30 GHEDRO C=C(C)COc1cc(C[NH2+]CCN2CCN(c3ccccc3)CC2)ccc1OC ZINC000060947073 848114695 /nfs/dbraw/zinc/11/46/95/848114695.db2.gz JWZAXGVCAXZFOY-UHFFFAOYSA-N 1 0 395.547 3.562 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000179959587 861872604 /nfs/dbraw/zinc/87/26/04/861872604.db2.gz BCACHOJSBXPYIV-GOSISDBHSA-N 1 0 380.492 3.627 20 30 GHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)C1 ZINC000329642949 861892219 /nfs/dbraw/zinc/89/22/19/861892219.db2.gz ITLFQOQNOKPGSN-YMQHIKHWSA-N 1 0 379.589 3.530 20 30 GHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COCc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187769612 848460988 /nfs/dbraw/zinc/46/09/88/848460988.db2.gz YQFMPTKBBHKINE-UWJYYQICSA-N 1 0 377.431 3.758 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000120102038 848506725 /nfs/dbraw/zinc/50/67/25/848506725.db2.gz GOYGPGNICCHIJK-UHFFFAOYSA-N 1 0 393.491 3.638 20 30 GHEDRO CC[NH+]=C(NCc1csc(Br)c1)NCc1sc(C)nc1C ZINC000262326526 861919406 /nfs/dbraw/zinc/91/94/06/861919406.db2.gz AAQCYKXIHZXDIY-UHFFFAOYSA-N 1 0 387.372 3.839 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)cc1OC ZINC000628182835 848783028 /nfs/dbraw/zinc/78/30/28/848783028.db2.gz JJNDXCDCOGUDAN-RTBURBONSA-N 1 0 395.927 3.665 20 30 GHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)sc2C1 ZINC000583130225 849138099 /nfs/dbraw/zinc/13/80/99/849138099.db2.gz DZOVASCAKLAPND-SWDCCWFVSA-N 1 0 399.560 3.620 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1cccc(OC)c1 ZINC000481662622 861986746 /nfs/dbraw/zinc/98/67/46/861986746.db2.gz XUUUQCJNGONLNE-HXUWFJFHSA-N 1 0 384.455 3.911 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc(C(=O)OC)cc2)C(=S)NC(C)(C)C)cc1 ZINC000278145018 849379663 /nfs/dbraw/zinc/37/96/63/849379663.db2.gz BFCAEGTVCPSAPO-UHFFFAOYSA-O 1 0 399.536 3.650 20 30 GHEDRO CC[N@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000278159114 849440621 /nfs/dbraw/zinc/44/06/21/849440621.db2.gz 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C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000298424306 850612835 /nfs/dbraw/zinc/61/28/35/850612835.db2.gz RZECXNNAIAIMIN-RRQGHBQHSA-N 1 0 382.430 3.690 20 30 GHEDRO C=CCOCCC(=O)N1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001269982709 850627744 /nfs/dbraw/zinc/62/77/44/850627744.db2.gz MYEYYGKHQOCNQT-UHFFFAOYSA-N 1 0 376.463 3.626 20 30 GHEDRO C=CCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000424737860 850673314 /nfs/dbraw/zinc/67/33/14/850673314.db2.gz OHXKJIJMEBWEON-FCHUYYIVSA-N 1 0 382.548 3.872 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1Cc2cccc(Cl)c2C1 ZINC000909297144 850679142 /nfs/dbraw/zinc/67/91/42/850679142.db2.gz LQJCXUKRIQOEBO-APWZRJJASA-N 1 0 399.926 3.564 20 30 GHEDRO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000519176460 850703416 /nfs/dbraw/zinc/70/34/16/850703416.db2.gz YXBLJCRDZMXPDJ-GOSISDBHSA-N 1 0 376.504 3.925 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1 ZINC000481741327 862169224 /nfs/dbraw/zinc/16/92/24/862169224.db2.gz NZEKZZJMCSJIDS-RTWAWAEBSA-N 1 0 387.524 3.515 20 30 GHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000227442504 862169705 /nfs/dbraw/zinc/16/97/05/862169705.db2.gz YROZVWURYAHQHN-KURKYZTESA-N 1 0 395.503 3.826 20 30 GHEDRO C=C(C(=O)N1CCC2(CCC[N@@H+](Cc3scnc3C)C2)CC1)C(F)(F)F ZINC001270007776 850813426 /nfs/dbraw/zinc/81/34/26/850813426.db2.gz CUTPFCZSDCGARC-UHFFFAOYSA-N 1 0 387.471 3.775 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000435742097 850827846 /nfs/dbraw/zinc/82/78/46/850827846.db2.gz SJODZYSQYSICCS-YGRLFVJLSA-N 1 0 390.119 3.677 20 30 GHEDRO C=CCC[C@H](NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000435764064 850836958 /nfs/dbraw/zinc/83/69/58/850836958.db2.gz NSROQTRFLODCFK-XJUOHMSHSA-N 1 0 398.595 3.894 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(C#N)ccc3Cl)cc2)C[C@H](C)O1 ZINC000505343968 850839651 /nfs/dbraw/zinc/83/96/51/850839651.db2.gz NKPXPKDJJOJBIX-HOTGVXAUSA-N 1 0 397.906 3.751 20 30 GHEDRO C#CCCCc1nnc(N2CCC(CC)([NH+]3CCC3)CC2)n1Cc1cccs1 ZINC000909923760 850852754 /nfs/dbraw/zinc/85/27/54/850852754.db2.gz BEBUSTPKTSVAJH-UHFFFAOYSA-N 1 0 397.592 3.799 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc[nH]c2=O)cc1OCC ZINC000623777290 862182749 /nfs/dbraw/zinc/18/27/49/862182749.db2.gz YOVRDXSAHYKDRI-UHFFFAOYSA-N 1 0 393.281 3.803 20 30 GHEDRO C[C@H](CCNC(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCCCC1 ZINC000487886887 850967891 /nfs/dbraw/zinc/96/78/91/850967891.db2.gz WSAFWJHWDPUULE-CYBMUJFWSA-N 1 0 379.302 3.707 20 30 GHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000515410213 850991089 /nfs/dbraw/zinc/99/10/89/850991089.db2.gz SVBRSDWLUDSWDJ-QUCCMNQESA-N 1 0 383.540 3.518 20 30 GHEDRO N#CCCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000443930103 862222514 /nfs/dbraw/zinc/22/25/14/862222514.db2.gz RKQLCMLNERCPNC-HXUWFJFHSA-N 1 0 386.499 3.949 20 30 GHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000434571769 851273708 /nfs/dbraw/zinc/27/37/08/851273708.db2.gz FXRHTWGDRLRHRE-UHFFFAOYSA-N 1 0 398.894 3.551 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521417 862241864 /nfs/dbraw/zinc/24/18/64/862241864.db2.gz IUIDLZIAGCMKOL-NRSPTQNISA-N 1 0 383.536 3.817 20 30 GHEDRO Cc1ccc(C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)cc1 ZINC000604522133 862244737 /nfs/dbraw/zinc/24/47/37/862244737.db2.gz YNDZXRJPJSADRZ-DHIUTWEWSA-N 1 0 378.516 3.756 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(F)(c3cccc(OC)c3)CC2)CC1 ZINC000514238683 851455380 /nfs/dbraw/zinc/45/53/80/851455380.db2.gz UWTRKJKEIBZHOO-UHFFFAOYSA-N 1 0 389.515 3.706 20 30 GHEDRO C=CCN(Cc1ccccc1F)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000515806173 851496077 /nfs/dbraw/zinc/49/60/77/851496077.db2.gz QQZBVSLADULGFV-UHFFFAOYSA-N 1 0 381.495 3.972 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425521671 851507309 /nfs/dbraw/zinc/50/73/09/851507309.db2.gz YUSBIYONPMIPJJ-WIYYLYMNSA-N 1 0 376.504 3.783 20 30 GHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000425538770 851567417 /nfs/dbraw/zinc/56/74/17/851567417.db2.gz MCUWSGZUWNHTKB-NJNPRVFISA-N 1 0 376.504 3.924 20 30 GHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)C1 ZINC000505503537 851612521 /nfs/dbraw/zinc/61/25/21/851612521.db2.gz RKMDRZOTRCKYHC-QHCPKHFHSA-N 1 0 375.472 3.908 20 30 GHEDRO CC[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000550163531 851784069 /nfs/dbraw/zinc/78/40/69/851784069.db2.gz RWZANLJQEKVYHO-QFIPXVFZSA-N 1 0 390.531 3.508 20 30 GHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000517399923 851921946 /nfs/dbraw/zinc/92/19/46/851921946.db2.gz YXKKIXYFLUAEKK-CALCHBBNSA-N 1 0 381.476 3.723 20 30 GHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000111874964 851965928 /nfs/dbraw/zinc/96/59/28/851965928.db2.gz MHOXBRSYQSRXND-IBGZPJMESA-N 1 0 376.504 3.776 20 30 GHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C#N)cc1N(C)C ZINC000436500605 851969533 /nfs/dbraw/zinc/96/95/33/851969533.db2.gz XWIZVPVHPQUJHD-UHFFFAOYSA-N 1 0 379.508 3.528 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC(=O)N[C@@H](CC)C1 ZINC000329766870 862304563 /nfs/dbraw/zinc/30/45/63/862304563.db2.gz YRUWKRPBPYFPHG-CVEARBPZSA-N 1 0 388.512 3.570 20 30 GHEDRO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329765017 862304688 /nfs/dbraw/zinc/30/46/88/862304688.db2.gz WMESJUWHAGTEBQ-UHFFFAOYSA-N 1 0 381.480 3.875 20 30 GHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000473788086 852012373 /nfs/dbraw/zinc/01/23/73/852012373.db2.gz OILVVCBJVXXMGR-HOTGVXAUSA-N 1 0 380.467 3.975 20 30 GHEDRO COc1cccc(C2(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)CCCC2)c1 ZINC000516050339 852102094 /nfs/dbraw/zinc/10/20/94/852102094.db2.gz SVKVTVUCTDZRHR-NRFANRHFSA-N 1 0 394.515 3.603 20 30 GHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000543580702 852113057 /nfs/dbraw/zinc/11/30/57/852113057.db2.gz IDDDVKNCXSXOAV-INIZCTEOSA-N 1 0 381.451 3.951 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000519573325 852125467 /nfs/dbraw/zinc/12/54/67/852125467.db2.gz YLGBYKMLIUVKNU-IVZQSRNASA-N 1 0 375.472 3.554 20 30 GHEDRO C[C@@]1(NC(=O)Nc2ncccc2OCCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000517572435 852125924 /nfs/dbraw/zinc/12/59/24/852125924.db2.gz GDHRDRKAAPKCOK-JOCHJYFZSA-N 1 0 393.491 3.550 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)cc1Cl ZINC000028843485 852174038 /nfs/dbraw/zinc/17/40/38/852174038.db2.gz QNCUQMCCBPRHBN-UHFFFAOYSA-N 1 0 386.858 3.502 20 30 GHEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000517661191 852234811 /nfs/dbraw/zinc/23/48/11/852234811.db2.gz OLYYUVZVURRTPN-UHFFFAOYSA-N 1 0 378.476 3.738 20 30 GHEDRO O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329813167 862338056 /nfs/dbraw/zinc/33/80/56/862338056.db2.gz CSLZESMPMQBBPA-GOSISDBHSA-N 1 0 376.460 3.744 20 30 GHEDRO Cc1nnc(SCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)n1-c1cc(C)ccc1C ZINC000329812076 862338320 /nfs/dbraw/zinc/33/83/20/862338320.db2.gz CEBYBHUUJDMYNJ-MAUKXSAKSA-N 1 0 399.564 3.724 20 30 GHEDRO COc1cc(CNC(NCc2cccs2)=[NH+]C(C)(C)C)cc(OC)c1O ZINC000912506570 852312250 /nfs/dbraw/zinc/31/22/50/852312250.db2.gz QIYZTXUAAMGWPC-UHFFFAOYSA-N 1 0 377.510 3.505 20 30 GHEDRO CCn1nc(C)c(CNC(NCCc2ccc(OC)cc2)=[NH+]C(C)(C)C)c1C ZINC000912509619 852314423 /nfs/dbraw/zinc/31/44/23/852314423.db2.gz LUOZZCAXTMJODI-UHFFFAOYSA-N 1 0 385.556 3.605 20 30 GHEDRO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961509 852329158 /nfs/dbraw/zinc/32/91/58/852329158.db2.gz FQKQXIQNBZXIRS-QGZVFWFLSA-N 1 0 396.922 3.747 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1 ZINC000429176942 862357748 /nfs/dbraw/zinc/35/77/48/862357748.db2.gz ZCYHXGZYMFLJSU-FXAWDEMLSA-N 1 0 388.920 3.818 20 30 GHEDRO Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)c12 ZINC000329837544 862359754 /nfs/dbraw/zinc/35/97/54/862359754.db2.gz MWUDAKRNJITVMB-ORAYPTAESA-N 1 0 376.460 3.986 20 30 GHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccsc1 ZINC000507093643 852537996 /nfs/dbraw/zinc/53/79/96/852537996.db2.gz MOHZFLJXOAVASZ-KRWDZBQOSA-N 1 0 388.443 3.906 20 30 GHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1C#N ZINC000489718019 852543743 /nfs/dbraw/zinc/54/37/43/852543743.db2.gz XQCSIVKDOFDZIY-CQSZACIVSA-N 1 0 378.398 3.699 20 30 GHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000329844962 862367849 /nfs/dbraw/zinc/36/78/49/862367849.db2.gz XVPGVRLXNCNIJP-WZONZLPQSA-N 1 0 398.551 3.917 20 30 GHEDRO COc1cc2c(c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c1)O[C@H](C)C2 ZINC000506281565 852580947 /nfs/dbraw/zinc/58/09/47/852580947.db2.gz OFINIOHXCAJCKF-GOSISDBHSA-N 1 0 391.515 3.598 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000438642897 852663902 /nfs/dbraw/zinc/66/39/02/852663902.db2.gz RPVWXXKOVHHVCQ-UHFFFAOYSA-N 1 0 376.382 3.960 20 30 GHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000425697064 852677133 /nfs/dbraw/zinc/67/71/33/852677133.db2.gz DFYCZRDJAFDERD-JBYIUTFZSA-N 1 0 376.504 3.924 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000516559416 852720418 /nfs/dbraw/zinc/72/04/18/852720418.db2.gz VILOHKBFLGMDLZ-OALUTQOASA-N 1 0 388.519 3.625 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000437094092 852726748 /nfs/dbraw/zinc/72/67/48/852726748.db2.gz HITHPCBODQGAQG-PBPGXSGUSA-N 1 0 395.503 3.881 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000490062694 852743352 /nfs/dbraw/zinc/74/33/52/852743352.db2.gz QSHGLEBKAYXXJZ-SFHVURJKSA-N 1 0 381.476 3.531 20 30 GHEDRO N#Cc1ccccc1N1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000507285618 852744982 /nfs/dbraw/zinc/74/49/82/852744982.db2.gz NSRFDISZDLVSJP-UHFFFAOYSA-N 1 0 384.483 3.854 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437110509 852746608 /nfs/dbraw/zinc/74/66/08/852746608.db2.gz MOCBBOOVNGNEAT-DZIBYMRMSA-N 1 0 378.476 3.650 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C(C)C)c2ccccc21 ZINC000669032578 852766169 /nfs/dbraw/zinc/76/61/69/852766169.db2.gz OWTBQMBLFSLBEK-LMNJBCLMSA-N 1 0 393.535 3.891 20 30 GHEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000669032450 852767248 /nfs/dbraw/zinc/76/72/48/852767248.db2.gz KVAURFGNLYYPPH-MKXGPGLRSA-N 1 0 387.572 3.651 20 30 GHEDRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000329877685 862391523 /nfs/dbraw/zinc/39/15/23/862391523.db2.gz JQERIEYWAPDAFQ-HOTGVXAUSA-N 1 0 375.538 3.645 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(n3c(C)ccc3C)CC2)c(OC)c1 ZINC000507358998 852825837 /nfs/dbraw/zinc/82/58/37/852825837.db2.gz KDJMBWUYBPJGCO-QFIPXVFZSA-N 1 0 398.547 3.919 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1N(C)C ZINC000507426001 852903941 /nfs/dbraw/zinc/90/39/41/852903941.db2.gz HDCPZRHACLGAFH-MGPUTAFESA-N 1 0 380.467 3.610 20 30 GHEDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000507428228 852905692 /nfs/dbraw/zinc/90/56/92/852905692.db2.gz KBEUMCMAMIFJBZ-KXBFYZLASA-N 1 0 378.432 3.621 20 30 GHEDRO C=CCc1cc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc(OC)c1O ZINC000414958235 852922538 /nfs/dbraw/zinc/92/25/38/852922538.db2.gz WKNXWCLHPSRURN-YLJYHZDGSA-N 1 0 388.458 3.643 20 30 GHEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507452033 852925539 /nfs/dbraw/zinc/92/55/39/852925539.db2.gz VTBXMRSLMMUCDC-JXFKEZNVSA-N 1 0 392.459 3.573 20 30 GHEDRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(C#N)cc2)c(OC)cc1Cl ZINC000438828649 852933808 /nfs/dbraw/zinc/93/38/08/852933808.db2.gz HVUVXACDBFSLHB-CYBMUJFWSA-N 1 0 387.867 3.908 20 30 GHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490363734 852962477 /nfs/dbraw/zinc/96/24/77/852962477.db2.gz HKMQEUMSZLJODD-FXAWDEMLSA-N 1 0 392.503 3.989 20 30 GHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Cl ZINC000414902624 853059686 /nfs/dbraw/zinc/05/96/86/853059686.db2.gz KEVYJOUIHIPWNE-PKOBYXMFSA-N 1 0 398.894 3.577 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)cc1Cl ZINC000518269539 853143832 /nfs/dbraw/zinc/14/38/32/853143832.db2.gz IYAIWFJUQTVYSQ-UHFFFAOYSA-N 1 0 376.859 3.872 20 30 GHEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c(-c2ccncc2)n1 ZINC000111408915 853159656 /nfs/dbraw/zinc/15/96/56/853159656.db2.gz IOJSGCNHVUQOLH-UHFFFAOYSA-N 1 0 387.487 3.834 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000438995344 853169604 /nfs/dbraw/zinc/16/96/04/853169604.db2.gz CYJDCBIILJBCIB-DNVJHFABSA-N 1 0 397.563 3.956 20 30 GHEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000490766889 853243754 /nfs/dbraw/zinc/24/37/54/853243754.db2.gz CQFBAEXZEZDNAF-LJQANCHMSA-N 1 0 387.487 3.779 20 30 GHEDRO COc1ccccc1CNC(=[NH2+])NCCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000151311364 853298140 /nfs/dbraw/zinc/29/81/40/853298140.db2.gz PMBPQCZUODAQDY-UHFFFAOYSA-N 1 0 398.507 3.689 20 30 GHEDRO CC(C)(C)OC(=O)Nc1ccc(CCNC(=[NH2+])NCCc2cccs2)cc1 ZINC000151312648 853299129 /nfs/dbraw/zinc/29/91/29/853299129.db2.gz RGLMLLRLSRYMBB-UHFFFAOYSA-N 1 0 388.537 3.785 20 30 GHEDRO CC(C)[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCCCC1 ZINC000518428511 853336130 /nfs/dbraw/zinc/33/61/30/853336130.db2.gz UKGNNUQZVKOTHJ-AOMIVXANSA-N 1 0 383.536 3.875 20 30 GHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000439192661 853396425 /nfs/dbraw/zinc/39/64/25/853396425.db2.gz PRCIMKBHNBXFFP-HXUWFJFHSA-N 1 0 398.551 3.622 20 30 GHEDRO CC(C)c1nc(C2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)no1 ZINC000491092745 853448959 /nfs/dbraw/zinc/44/89/59/853448959.db2.gz UBOAHCDXZGXSTD-UHFFFAOYSA-N 1 0 390.491 3.845 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000519800030 853515607 /nfs/dbraw/zinc/51/56/07/853515607.db2.gz VSANDWSMXNXSIV-LEWJYISDSA-N 1 0 396.579 3.745 20 30 GHEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C2 ZINC000519827092 853518253 /nfs/dbraw/zinc/51/82/53/853518253.db2.gz RVPMQIUIFAQRRX-DOPJRALCSA-N 1 0 389.425 3.741 20 30 GHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(C)c1OC ZINC000586789994 853550448 /nfs/dbraw/zinc/55/04/48/853550448.db2.gz XIYKQCDAXKZVTM-INIZCTEOSA-N 1 0 380.492 3.599 20 30 GHEDRO CN1CC[C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000517264651 853595624 /nfs/dbraw/zinc/59/56/24/853595624.db2.gz NQEFXBWVXCTHEM-UNMCSNQZSA-N 1 0 396.922 3.622 20 30 GHEDRO CC(C)Cc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccccc2)cc1 ZINC000055011308 853628181 /nfs/dbraw/zinc/62/81/81/853628181.db2.gz NRQNUHDKBXLQGB-FQEVSTJZSA-O 1 0 397.564 3.880 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2coc(C3CCOCC3)n2)CC1 ZINC000329998168 862491708 /nfs/dbraw/zinc/49/17/08/862491708.db2.gz RVTJMDGBBRWMTP-UHFFFAOYSA-N 1 0 383.492 3.846 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000437936555 853703144 /nfs/dbraw/zinc/70/31/44/853703144.db2.gz ULEDHWFQCDHRFK-NJAFHUGGSA-N 1 0 399.457 3.589 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000570996830 853710034 /nfs/dbraw/zinc/71/00/34/853710034.db2.gz AUEKYAXVSXINBK-IBGZPJMESA-N 1 0 377.444 3.924 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](Oc3ccccc3)C2)c1C ZINC000571320840 853840251 /nfs/dbraw/zinc/84/02/51/853840251.db2.gz VJFDCJUTUDSUKF-NRFANRHFSA-N 1 0 377.488 3.703 20 30 GHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C1 ZINC000571540459 853943258 /nfs/dbraw/zinc/94/32/58/853943258.db2.gz CDGMBWKRLUAGFM-LJQANCHMSA-N 1 0 380.540 3.641 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000055553054 854010202 /nfs/dbraw/zinc/01/02/02/854010202.db2.gz JQHBLMMOYRLNNQ-QGZVFWFLSA-N 1 0 381.476 3.685 20 30 GHEDRO N#CCn1c(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2ccccc21 ZINC000587991854 854061114 /nfs/dbraw/zinc/06/11/14/854061114.db2.gz DKJIZMDCIVOUHN-VWLOTQADSA-N 1 0 398.510 3.903 20 30 GHEDRO N#Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000588001175 854065477 /nfs/dbraw/zinc/06/54/77/854065477.db2.gz ZJNVICZSVICPMV-DYESRHJHSA-N 1 0 391.475 3.540 20 30 GHEDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C2CC2)c1 ZINC000164584429 854071049 /nfs/dbraw/zinc/07/10/49/854071049.db2.gz SQASOIIMXITYMG-UHFFFAOYSA-N 1 0 379.460 3.569 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)CCc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055752350 854089656 /nfs/dbraw/zinc/08/96/56/854089656.db2.gz APEODMFXJWOYPW-QFIPXVFZSA-N 1 0 391.515 3.843 20 30 GHEDRO CC1(C)C[N@@H+](C2(CNC(=O)Cc3csc4nccn34)CCCCC2)CCO1 ZINC000330055956 862537836 /nfs/dbraw/zinc/53/78/36/862537836.db2.gz VCYOXZFVXRJMNW-UHFFFAOYSA-N 1 0 390.553 3.709 20 30 GHEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000441386002 854168737 /nfs/dbraw/zinc/16/87/37/854168737.db2.gz PAPDBIPVEXWQES-GCJKJVERSA-N 1 0 387.487 3.730 20 30 GHEDRO C[N@@H+]1CCN(CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1(C)C ZINC000328650032 854488700 /nfs/dbraw/zinc/48/87/00/854488700.db2.gz AVLKRPYEISMNDY-UHFFFAOYSA-N 1 0 392.588 3.674 20 30 GHEDRO O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC000328800104 854561736 /nfs/dbraw/zinc/56/17/36/854561736.db2.gz HXKFUCAETGXZSJ-MRXNPFEDSA-N 1 0 395.463 3.776 20 30 GHEDRO COc1cccc([C@@H]2[C@H](NC(=O)N3CCC[C@@H]3[C@@H]3CCCO3)CC[N@@H+]2C2CC2)c1 ZINC000328863079 854584642 /nfs/dbraw/zinc/58/46/42/854584642.db2.gz FUBZUETYJFFIOV-YUMYIRISSA-N 1 0 399.535 3.530 20 30 GHEDRO CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000328902925 854588396 /nfs/dbraw/zinc/58/83/96/854588396.db2.gz HEUHJTYHPYNPHM-QFBILLFUSA-N 1 0 389.565 3.687 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc(OC)c1OCC(F)F ZINC000588926022 854596158 /nfs/dbraw/zinc/59/61/58/854596158.db2.gz KNJAHCJMRVMGRT-KRWDZBQOSA-N 1 0 388.414 3.996 20 30 GHEDRO N#CCCn1cc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000588928745 854598370 /nfs/dbraw/zinc/59/83/70/854598370.db2.gz PRUWYAZOSPAMRH-FQEVSTJZSA-N 1 0 394.906 3.983 20 30 GHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000328890160 854599134 /nfs/dbraw/zinc/59/91/34/854599134.db2.gz RKHWUWJYTTYLNA-QZTJIDSGSA-N 1 0 399.457 3.771 20 30 GHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328916334 854621513 /nfs/dbraw/zinc/62/15/13/854621513.db2.gz AJQCTJVIIXEAFR-SFNKJDCFSA-N 1 0 376.545 3.601 20 30 GHEDRO CC1(C)C(=O)Nc2ccc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cc21 ZINC000328980163 854639160 /nfs/dbraw/zinc/63/91/60/854639160.db2.gz XSUNQJGSEXQSOF-RTBURBONSA-N 1 0 385.508 3.638 20 30 GHEDRO CC[NH+](CC)CC1CCN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)CC1 ZINC000330419687 854670049 /nfs/dbraw/zinc/67/00/49/854670049.db2.gz XIDHPTKCZQIBSE-UHFFFAOYSA-N 1 0 394.947 3.641 20 30 GHEDRO Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1NC(=O)NC(C)(C)C ZINC000330729583 854750216 /nfs/dbraw/zinc/75/02/16/854750216.db2.gz HLKBYPWSTUIBCR-MRXNPFEDSA-N 1 0 388.556 3.731 20 30 GHEDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1NC(=O)NC(C)(C)C ZINC000330855546 854766434 /nfs/dbraw/zinc/76/64/34/854766434.db2.gz HXQYCFIBVDSXDJ-SFHVURJKSA-N 1 0 386.540 3.629 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000589284615 854784365 /nfs/dbraw/zinc/78/43/65/854784365.db2.gz ILBYUEABBSVCIB-VHKYSDTDSA-N 1 0 382.895 3.574 20 30 GHEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000331003343 854794011 /nfs/dbraw/zinc/79/40/11/854794011.db2.gz YCPNWYWKQOZCLU-JKSUJKDBSA-N 1 0 375.513 3.531 20 30 GHEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000331003339 854794034 /nfs/dbraw/zinc/79/40/34/854794034.db2.gz YCPNWYWKQOZCLU-HOTGVXAUSA-N 1 0 375.513 3.531 20 30 GHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)CC2 ZINC000589338074 854797207 /nfs/dbraw/zinc/79/72/07/854797207.db2.gz SIHFNDGLDPHQQE-LPHOPBHVSA-N 1 0 376.378 3.594 20 30 GHEDRO CC[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000589392989 854847021 /nfs/dbraw/zinc/84/70/21/854847021.db2.gz YDRGQGBAUPMYNE-QHCPKHFHSA-N 1 0 391.515 3.839 20 30 GHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000481993719 862611301 /nfs/dbraw/zinc/61/13/01/862611301.db2.gz VEOVJGRUHRNDHG-JOCHJYFZSA-N 1 0 395.528 3.655 20 30 GHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000330153355 862620048 /nfs/dbraw/zinc/62/00/48/862620048.db2.gz MRJKOPHGIKWNSR-GOSISDBHSA-N 1 0 397.629 3.980 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NC(C)(C)CC)[n+]2cccc(CO)c2)cc1 ZINC000186972505 862629154 /nfs/dbraw/zinc/62/91/54/862629154.db2.gz VRDAFJFJKWACGW-UHFFFAOYSA-O 1 0 385.553 3.746 20 30 GHEDRO C=CC[C@@H]1N(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC(=C)C)CCCC1(C)C ZINC000669335193 855023598 /nfs/dbraw/zinc/02/35/98/855023598.db2.gz KAVSDFHJIMOTKT-AABGKKOBSA-N 1 0 399.583 3.961 20 30 GHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000056795959 855052955 /nfs/dbraw/zinc/05/29/55/855052955.db2.gz RORRNDPXABPANQ-OAQYLSRUSA-N 1 0 381.520 3.566 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(COc3ccccc3OC)o2)CC1 ZINC000106036070 855170892 /nfs/dbraw/zinc/17/08/92/855170892.db2.gz OLJQGIHAFITYMP-UHFFFAOYSA-N 1 0 384.476 3.638 20 30 GHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000057154667 855253146 /nfs/dbraw/zinc/25/31/46/855253146.db2.gz RRYQAIBSRWSEON-FQEVSTJZSA-N 1 0 378.476 3.597 20 30 GHEDRO CC(C)[NH+]1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000055157631 855281593 /nfs/dbraw/zinc/28/15/93/855281593.db2.gz ZALXAOLZTBSDSN-UHFFFAOYSA-N 1 0 377.488 3.740 20 30 GHEDRO CC(C)(C)CC[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000055934037 855434035 /nfs/dbraw/zinc/43/40/35/855434035.db2.gz NSHQXZWLKDUILI-UHFFFAOYSA-N 1 0 376.932 3.594 20 30 GHEDRO COc1ccc([C@@H](CNc2nc(C#N)c(Cl)s2)[NH+]2CCCCC2)cc1 ZINC000590568417 855493268 /nfs/dbraw/zinc/49/32/68/855493268.db2.gz FSOWOHASQGNWQZ-MRXNPFEDSA-N 1 0 376.913 3.738 20 30 GHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091247525 855504285 /nfs/dbraw/zinc/50/42/85/855504285.db2.gz XAQOCWLXXCRTGI-LJQANCHMSA-N 1 0 376.504 3.708 20 30 GHEDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000330242312 862688124 /nfs/dbraw/zinc/68/81/24/862688124.db2.gz GDNCAANIQUJKHS-XHDPSFHLSA-N 1 0 395.297 3.865 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CCC(O)CC3)CC2)cc1Cl ZINC000590746050 855561128 /nfs/dbraw/zinc/56/11/28/855561128.db2.gz AFVBXYBMQJIGST-UHFFFAOYSA-N 1 0 375.900 3.557 20 30 GHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1cccc(Cl)c1 ZINC000590750722 855564059 /nfs/dbraw/zinc/56/40/59/855564059.db2.gz FXGLYMWTKDDCTH-ZCNNSNEGSA-N 1 0 389.927 3.602 20 30 GHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000330250121 862694642 /nfs/dbraw/zinc/69/46/42/862694642.db2.gz HATXJKAHKUEVBS-SFHVURJKSA-N 1 0 377.916 3.932 20 30 GHEDRO CC1(C)CCC[N@@H+]1CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000590801165 855593129 /nfs/dbraw/zinc/59/31/29/855593129.db2.gz UJDZLOXLGQMFMG-UHFFFAOYSA-N 1 0 383.521 3.601 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000067400437 855635085 /nfs/dbraw/zinc/63/50/85/855635085.db2.gz KIYCTNLBSDFZOV-QFIPXVFZSA-N 1 0 397.906 3.986 20 30 GHEDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000301306341 855659572 /nfs/dbraw/zinc/65/95/72/855659572.db2.gz YVAHDWVZOZXZIB-HNNXBMFYSA-N 1 0 389.425 3.595 20 30 GHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCCN1CCc2sccc2C1 ZINC000330264865 862705434 /nfs/dbraw/zinc/70/54/34/862705434.db2.gz YKPOYCVLGIZZLR-OAHLLOKOSA-N 1 0 391.562 3.770 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000056901569 855712141 /nfs/dbraw/zinc/71/21/41/855712141.db2.gz NKSCEZMJUVKCHJ-NRFANRHFSA-N 1 0 396.922 3.972 20 30 GHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466604240 862711787 /nfs/dbraw/zinc/71/17/87/862711787.db2.gz MFKZCGLCPIXHOK-ROUUACIJSA-N 1 0 387.528 3.786 20 30 GHEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000301566319 855717573 /nfs/dbraw/zinc/71/75/73/855717573.db2.gz PYSWZCYJTIHHGG-GASCZTMLSA-N 1 0 396.457 3.688 20 30 GHEDRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000591024160 855744013 /nfs/dbraw/zinc/74/40/13/855744013.db2.gz BXNGOYJYHOGBSV-SFHVURJKSA-N 1 0 391.393 3.883 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301887344 855776201 /nfs/dbraw/zinc/77/62/01/855776201.db2.gz QSRDZJHTBFRCCG-ROUUACIJSA-N 1 0 375.394 3.624 20 30 GHEDRO N#Cc1cc(C(F)(F)F)ccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000302058395 855808164 /nfs/dbraw/zinc/80/81/64/855808164.db2.gz RSHVLOJQOOLQQF-GOSISDBHSA-N 1 0 375.394 3.756 20 30 GHEDRO N#Cc1cc(Br)ccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302074096 855811696 /nfs/dbraw/zinc/81/16/96/855811696.db2.gz HYRIYSIOBMRGCI-UHFFFAOYSA-N 1 0 392.341 3.650 20 30 GHEDRO C#CC[C@@H](OC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccccn1 ZINC000183616010 855836887 /nfs/dbraw/zinc/83/68/87/855836887.db2.gz LMUUWSBJQBTXSO-JOCHJYFZSA-N 1 0 377.488 3.533 20 30 GHEDRO N#Cc1cc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1C(F)(F)F ZINC000302210692 855840801 /nfs/dbraw/zinc/84/08/01/855840801.db2.gz YVXHRCRLHDMMIU-ROUUACIJSA-N 1 0 375.394 3.624 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000302388693 855861225 /nfs/dbraw/zinc/86/12/25/855861225.db2.gz JAJOLHHOIUGHJG-SJORKVTESA-N 1 0 375.394 3.624 20 30 GHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)N1CCCC1 ZINC000237210843 855871975 /nfs/dbraw/zinc/87/19/75/855871975.db2.gz ORERTFKNEYULMS-XMSQKQJNSA-N 1 0 379.504 3.913 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)cn2)c1 ZINC000591278142 855881277 /nfs/dbraw/zinc/88/12/77/855881277.db2.gz QSCBEGFZUMPWSC-IBGZPJMESA-N 1 0 379.464 3.775 20 30 GHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591282091 855883144 /nfs/dbraw/zinc/88/31/44/855883144.db2.gz FSFDKOHBHVFOOR-UWJYYQICSA-N 1 0 376.460 3.875 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(F)(F)F ZINC000591305222 855900911 /nfs/dbraw/zinc/90/09/11/855900911.db2.gz ICLLFAPUBWDLCC-UONOGXRCSA-N 1 0 396.413 3.700 20 30 GHEDRO CCc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000591415543 855966345 /nfs/dbraw/zinc/96/63/45/855966345.db2.gz TYTDGZWHCRLTSH-IBGZPJMESA-N 1 0 390.531 3.656 20 30 GHEDRO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000760831614 855997637 /nfs/dbraw/zinc/99/76/37/855997637.db2.gz QVHMHTQWMJURBT-HSZRJFAPSA-N 1 0 389.499 3.593 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152197 862746300 /nfs/dbraw/zinc/74/63/00/862746300.db2.gz QMNFEORVGZKEMW-LAUBAEHRSA-N 1 0 396.535 3.841 20 30 GHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000520140611 856075662 /nfs/dbraw/zinc/07/56/62/856075662.db2.gz WDWSJCVBAHVFEN-KXBFYZLASA-N 1 0 385.895 3.614 20 30 GHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(CC#N)CC3)cc2)C1 ZINC000542846539 856116100 /nfs/dbraw/zinc/11/61/00/856116100.db2.gz MJZBNQJTLDHBOC-RTBURBONSA-N 1 0 382.552 4.000 20 30 GHEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905202587 856210613 /nfs/dbraw/zinc/21/06/13/856210613.db2.gz RRCJIVVPLDCIOL-KDOFPFPSSA-N 1 0 384.442 3.501 20 30 GHEDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000591762940 856229473 /nfs/dbraw/zinc/22/94/73/856229473.db2.gz LBHIFLNQTIEAOQ-KXBFYZLASA-N 1 0 392.421 3.904 20 30 GHEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(Cl)c1OC ZINC000485242759 856257003 /nfs/dbraw/zinc/25/70/03/856257003.db2.gz DTQBJFQIRNUHAA-SFHVURJKSA-N 1 0 399.878 3.514 20 30 GHEDRO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000591805366 856286949 /nfs/dbraw/zinc/28/69/49/856286949.db2.gz IAGOOOOXMLUGGN-HNNXBMFYSA-N 1 0 390.409 3.868 20 30 GHEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1Cl ZINC000591765772 856290383 /nfs/dbraw/zinc/29/03/83/856290383.db2.gz GVNKGRAYMLYYOZ-OAHLLOKOSA-N 1 0 384.785 3.760 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000591771138 856291096 /nfs/dbraw/zinc/29/10/96/856291096.db2.gz OPUMNBMHLWLACK-IEBWSBKVSA-N 1 0 388.920 3.911 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc2ccccc21 ZINC000060565878 856322748 /nfs/dbraw/zinc/32/27/48/856322748.db2.gz JQSLSGUVNYWIRP-UHFFFAOYSA-N 1 0 386.499 3.985 20 30 GHEDRO CC(C)(C#N)CCS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000550441109 856359987 /nfs/dbraw/zinc/35/99/87/856359987.db2.gz SRRZWHVCWDIKDR-UHFFFAOYSA-N 1 0 397.972 3.507 20 30 GHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000485349645 856375025 /nfs/dbraw/zinc/37/50/25/856375025.db2.gz RLLJZPLCDRTBBM-MRXNPFEDSA-N 1 0 384.446 3.937 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)s3)C2=O)cc1 ZINC000485386588 856424863 /nfs/dbraw/zinc/42/48/63/856424863.db2.gz QHTBBBCOCCKVRM-OAHLLOKOSA-N 1 0 390.306 3.667 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000198390877 856458176 /nfs/dbraw/zinc/45/81/76/856458176.db2.gz ZTEQGMJZMAMEAS-HXUWFJFHSA-N 1 0 379.460 3.741 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508904169 856466292 /nfs/dbraw/zinc/46/62/92/856466292.db2.gz RUYXMLLSNLBWRI-QGZVFWFLSA-N 1 0 387.503 3.521 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccccc2OC)cc1 ZINC000507833602 856542013 /nfs/dbraw/zinc/54/20/13/856542013.db2.gz KLYQBCCWYNIWAF-UHFFFAOYSA-N 1 0 395.503 3.865 20 30 GHEDRO C=CCSc1ccccc1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000485461833 856595386 /nfs/dbraw/zinc/59/53/86/856595386.db2.gz DDWDVRCYPLTZSB-KDURUIRLSA-N 1 0 387.593 3.595 20 30 GHEDRO C[C@H](NC(=O)C[NH+]1CCC(CCC#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000592135507 856672201 /nfs/dbraw/zinc/67/22/01/856672201.db2.gz JUKGFTNAINSRQO-AWEZNQCLSA-N 1 0 383.414 3.778 20 30 GHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)C[C@@H](C)NC(=O)c3ccccc3)C1)CCCC2 ZINC000330306229 862823041 /nfs/dbraw/zinc/82/30/41/862823041.db2.gz RIKJZYBDUDFSBF-VQIMIIECSA-N 1 0 394.519 3.627 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)CC1 ZINC000465865744 856681582 /nfs/dbraw/zinc/68/15/82/856681582.db2.gz UKIDIYKXELHLMJ-UHFFFAOYSA-N 1 0 390.475 3.737 20 30 GHEDRO Cc1oc(NC(=O)CN(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000592154108 856756560 /nfs/dbraw/zinc/75/65/60/856756560.db2.gz PDIPKMSSDHTBPD-FQEVSTJZSA-N 1 0 394.519 3.692 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)cc1 ZINC000111051308 856760918 /nfs/dbraw/zinc/76/09/18/856760918.db2.gz CBNRKTXDDJMFRJ-QFIPXVFZSA-N 1 0 391.540 3.765 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177032 856761548 /nfs/dbraw/zinc/76/15/48/856761548.db2.gz GKVDNTBQBUACGW-OAQYLSRUSA-N 1 0 395.890 3.810 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000592297454 856769770 /nfs/dbraw/zinc/76/97/70/856769770.db2.gz QDVSNSGFTWTNAP-SJLPKXTDSA-N 1 0 381.442 3.901 20 30 GHEDRO N#Cc1ccc(CNC(=O)CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000573965938 856832114 /nfs/dbraw/zinc/83/21/14/856832114.db2.gz LVCMTOUHNNONEP-OAQYLSRUSA-N 1 0 379.529 3.572 20 30 GHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000508065369 856872623 /nfs/dbraw/zinc/87/26/23/856872623.db2.gz UCABJUWWIUFAQG-UHFFFAOYSA-N 1 0 379.508 3.685 20 30 GHEDRO N#CC[C@]1(O)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000592522453 856919172 /nfs/dbraw/zinc/91/91/72/856919172.db2.gz CIZONOIDBAQMHZ-QFIPXVFZSA-N 1 0 376.435 3.529 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000245533143 856936655 /nfs/dbraw/zinc/93/66/55/856936655.db2.gz VBQJVLSYEJWAAB-GGAORHGYSA-N 1 0 389.499 3.592 20 30 GHEDRO CCCc1c(NC(=O)N(CCC)[C@H]2CC[N@H+](C)C2)cnn1-c1cccc(C#N)c1 ZINC000592253151 856957448 /nfs/dbraw/zinc/95/74/48/856957448.db2.gz YNNRAFXSHXXLQA-IBGZPJMESA-N 1 0 394.523 3.644 20 30 GHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)c(OC)c1 ZINC000063483230 856976128 /nfs/dbraw/zinc/97/61/28/856976128.db2.gz XNGRDCWFXHVXBG-HXUWFJFHSA-N 1 0 379.460 3.741 20 30 GHEDRO Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000330314278 862862276 /nfs/dbraw/zinc/86/22/76/862862276.db2.gz PCGOKLUTKRQCKQ-BHDDXSALSA-N 1 0 385.552 3.732 20 30 GHEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000921913101 857085132 /nfs/dbraw/zinc/08/51/32/857085132.db2.gz BJMJZYKSQJWGJU-OAHLLOKOSA-N 1 0 381.339 3.855 20 30 GHEDRO CN(CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173972732 857189666 /nfs/dbraw/zinc/18/96/66/857189666.db2.gz TUZYBPRHALGXHK-SFHVURJKSA-N 1 0 396.922 3.604 20 30 GHEDRO Cc1cccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000246071130 857223087 /nfs/dbraw/zinc/22/30/87/857223087.db2.gz DGCGSFIURGILJV-ICSRJNTNSA-N 1 0 397.544 3.540 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C2CC2)C2CCCC2)c1C#N ZINC000064808605 857247978 /nfs/dbraw/zinc/24/79/78/857247978.db2.gz KMTLFFIAVRATJK-UHFFFAOYSA-N 1 0 380.492 3.963 20 30 GHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000174481105 857320058 /nfs/dbraw/zinc/32/00/58/857320058.db2.gz QTPJHMQCFPYDCY-FQEVSTJZSA-N 1 0 377.488 3.551 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542978491 857350420 /nfs/dbraw/zinc/35/04/20/857350420.db2.gz BQSFKUYTWOFVCZ-PKOBYXMFSA-N 1 0 376.504 3.927 20 30 GHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429252772 857376586 /nfs/dbraw/zinc/37/65/86/857376586.db2.gz GNYGIRVFBKQWRE-CQSZACIVSA-N 1 0 394.357 3.676 20 30 GHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000172488595 857377321 /nfs/dbraw/zinc/37/73/21/857377321.db2.gz SNIYDUKHYDIDOW-UHFFFAOYSA-N 1 0 376.504 3.517 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000174766918 857381900 /nfs/dbraw/zinc/38/19/00/857381900.db2.gz BNELSZDYMUQSKM-QFBILLFUSA-N 1 0 386.496 3.641 20 30 GHEDRO CN(CC[NH+]1CCCCC1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000593884662 862907529 /nfs/dbraw/zinc/90/75/29/862907529.db2.gz WBGRUTGDPDUGAJ-UHFFFAOYSA-N 1 0 377.488 3.695 20 30 GHEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246738732 857446937 /nfs/dbraw/zinc/44/69/37/857446937.db2.gz PHYIGEFSLBOURW-CABCVRRESA-N 1 0 391.899 3.594 20 30 GHEDRO C#CCOc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC001129126929 857680050 /nfs/dbraw/zinc/68/00/50/857680050.db2.gz NFPIKOPYLHSIAC-HSZRJFAPSA-N 1 0 376.500 3.678 20 30 GHEDRO N#Cc1cccc(CNC(=O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000521194274 857716830 /nfs/dbraw/zinc/71/68/30/857716830.db2.gz DTPNCJSWQFQQCC-UHFFFAOYSA-N 1 0 387.405 3.858 20 30 GHEDRO COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000521196549 857740517 /nfs/dbraw/zinc/74/05/17/857740517.db2.gz MLRHWKKPHDAJGF-UHFFFAOYSA-N 1 0 379.504 3.683 20 30 GHEDRO C=C(Br)CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157884368 857791154 /nfs/dbraw/zinc/79/11/54/857791154.db2.gz MCDWZSGJJQIQKH-WBVHZDCISA-N 1 0 380.330 3.590 20 30 GHEDRO C=CCN1CC[C@H]([NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)C1=O ZINC000499639013 857957302 /nfs/dbraw/zinc/95/73/02/857957302.db2.gz ZXRXDMOCJHQGRR-KRWDZBQOSA-N 1 0 382.426 3.583 20 30 GHEDRO N#C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(Cl)c1Cl ZINC000594286049 858028367 /nfs/dbraw/zinc/02/83/67/858028367.db2.gz JSQMQFYVGMFBCP-CJNGLKHVSA-N 1 0 398.359 3.892 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114468923 858049544 /nfs/dbraw/zinc/04/95/44/858049544.db2.gz RSTHPTRDGUTJBN-FQEVSTJZSA-N 1 0 383.879 3.522 20 30 GHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000521482351 858053544 /nfs/dbraw/zinc/05/35/44/858053544.db2.gz MVIBFFWMZVYBDW-FDDCHVKYSA-N 1 0 389.499 3.836 20 30 GHEDRO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000066389417 858103706 /nfs/dbraw/zinc/10/37/06/858103706.db2.gz FRCPQJQKCPWZSH-INIZCTEOSA-N 1 0 397.906 3.877 20 30 GHEDRO C#Cc1ccc(C[NH2+][C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000922154004 858122578 /nfs/dbraw/zinc/12/25/78/858122578.db2.gz HTYMYWWGNHEMAH-FQEVSTJZSA-N 1 0 384.520 3.706 20 30 GHEDRO N#Cc1cccc(CNC(=O)CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000574691299 858163357 /nfs/dbraw/zinc/16/33/57/858163357.db2.gz USFHXTRJJRPMHJ-OAQYLSRUSA-N 1 0 379.529 3.572 20 30 GHEDRO C=CCOc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000046623449 858169007 /nfs/dbraw/zinc/16/90/07/858169007.db2.gz SHAMMLWOKNXDHK-RTBURBONSA-N 1 0 394.515 3.791 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000158048450 858172572 /nfs/dbraw/zinc/17/25/72/858172572.db2.gz IHSPOIGGPKNWRY-QFIPXVFZSA-N 1 0 384.451 3.530 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(CNc2ncc(C#N)cc2Cl)cc1OC ZINC000114708889 858177081 /nfs/dbraw/zinc/17/70/81/858177081.db2.gz YMSLZCHPGQTBTK-UHFFFAOYSA-N 1 0 388.899 3.948 20 30 GHEDRO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000594434576 858177560 /nfs/dbraw/zinc/17/75/60/858177560.db2.gz PIYIJVNKYYAZTD-LSDHHAIUSA-N 1 0 396.354 3.856 20 30 GHEDRO CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)cc1 ZINC000594424682 858185214 /nfs/dbraw/zinc/18/52/14/858185214.db2.gz IDVFPWKDCCLNSM-FQEVSTJZSA-N 1 0 394.475 3.687 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442866603 858185443 /nfs/dbraw/zinc/18/54/43/858185443.db2.gz IPRRYVGAVZTOCO-GTPINHCMSA-N 1 0 382.508 3.672 20 30 GHEDRO Cc1cc(CN(C)C(=O)[C@@H]([NH3+])CCCCC#N)cc(C)c1OCC(F)(F)F ZINC000594427165 858185475 /nfs/dbraw/zinc/18/54/75/858185475.db2.gz HSRDCQXILYKARS-INIZCTEOSA-N 1 0 385.430 3.614 20 30 GHEDRO CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)cc1 ZINC000594424683 858185609 /nfs/dbraw/zinc/18/56/09/858185609.db2.gz IDVFPWKDCCLNSM-HXUWFJFHSA-N 1 0 394.475 3.687 20 30 GHEDRO CN1CCN([C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2cccs2)CC1 ZINC000594493294 858190246 /nfs/dbraw/zinc/19/02/46/858190246.db2.gz LCLOSANYQGEYSY-FQEVSTJZSA-N 1 0 382.577 3.628 20 30 GHEDRO Cc1cccc([C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)N2CCOCC2)c1 ZINC000594495286 858191442 /nfs/dbraw/zinc/19/14/42/858191442.db2.gz PNMGSCLNIFPNDV-QHCPKHFHSA-N 1 0 377.532 3.959 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000594498935 858193502 /nfs/dbraw/zinc/19/35/02/858193502.db2.gz CZPBQSKDMGRLDA-HXUWFJFHSA-N 1 0 389.478 3.990 20 30 GHEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000594503650 858195191 /nfs/dbraw/zinc/19/51/91/858195191.db2.gz GGXSWKLUGIMRSO-MRXNPFEDSA-N 1 0 376.422 3.846 20 30 GHEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000594516421 858206717 /nfs/dbraw/zinc/20/67/17/858206717.db2.gz QMJQMYXRINXTNX-MRXNPFEDSA-N 1 0 383.517 3.539 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442892527 858213846 /nfs/dbraw/zinc/21/38/46/858213846.db2.gz VIWRUTMXGDBYCD-QGZVFWFLSA-N 1 0 397.441 3.580 20 30 GHEDRO Cc1ccc2ncc(C#N)c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)c2c1 ZINC000521728204 858277141 /nfs/dbraw/zinc/27/71/41/858277141.db2.gz SCBKCQCSNGIIQT-GAJHUEQPSA-N 1 0 388.519 3.668 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)cc2)CC1 ZINC000594935630 858339857 /nfs/dbraw/zinc/33/98/57/858339857.db2.gz JGJDOLWWEYTIIA-IBGZPJMESA-N 1 0 383.854 3.929 20 30 GHEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000521822584 858355950 /nfs/dbraw/zinc/35/59/50/858355950.db2.gz WRZXJWNHUIGTKE-AWEZNQCLSA-N 1 0 375.394 3.886 20 30 GHEDRO CC(C)(C)OC(=O)C1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000594995580 858360528 /nfs/dbraw/zinc/36/05/28/858360528.db2.gz PUYGXMQKIFTUCS-UHFFFAOYSA-N 1 0 383.536 3.624 20 30 GHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000521834603 858371444 /nfs/dbraw/zinc/37/14/44/858371444.db2.gz DFHBTCDHNBRLSW-YCRPNKLZSA-N 1 0 378.476 3.565 20 30 GHEDRO COc1ccc([C@H]2[C@@H](COC(=O)Cc3ccccc3CC#N)CC[N@@H+]2C)cc1 ZINC000761103760 858441446 /nfs/dbraw/zinc/44/14/46/858441446.db2.gz AAROHMKMYOAKIF-OFNKIYASSA-N 1 0 378.472 3.540 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000595232379 858447509 /nfs/dbraw/zinc/44/75/09/858447509.db2.gz ZTCKPHJIVTWVLA-HNNXBMFYSA-N 1 0 391.313 3.564 20 30 GHEDRO N#CCCC[C@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000595245167 858450767 /nfs/dbraw/zinc/45/07/67/858450767.db2.gz GWFVMLWAQKPAPM-LEWJYISDSA-N 1 0 378.476 3.904 20 30 GHEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000595258869 858455881 /nfs/dbraw/zinc/45/58/81/858455881.db2.gz FLYVFJNPWBWVMG-IRXDYDNUSA-N 1 0 378.314 3.744 20 30 GHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3ncccc3c2)c(OC)c1 ZINC000575040225 858501174 /nfs/dbraw/zinc/50/11/74/858501174.db2.gz QDPBQNPQRJBWGZ-FQEVSTJZSA-N 1 0 378.472 3.501 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000595363468 858518395 /nfs/dbraw/zinc/51/83/95/858518395.db2.gz CNJDLGBFNKIXFH-LJQANCHMSA-N 1 0 380.467 3.774 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000595498531 858545888 /nfs/dbraw/zinc/54/58/88/858545888.db2.gz IOFMKEABQZOOMW-SFHVURJKSA-N 1 0 388.943 3.887 20 30 GHEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](CCc1ccc(C#N)cc1)C(C)C ZINC000595543830 858562271 /nfs/dbraw/zinc/56/22/71/858562271.db2.gz LNXDZJQDHDWWBK-FQEVSTJZSA-N 1 0 384.545 3.973 20 30 GHEDRO C[C@H](CNC(=O)NCCSCc1ccccc1C#N)[N@H+](C)Cc1ccccc1 ZINC000522049066 858570814 /nfs/dbraw/zinc/57/08/14/858570814.db2.gz LAFNHKZRFDMCMT-GOSISDBHSA-N 1 0 396.560 3.611 20 30 GHEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000595660023 858641744 /nfs/dbraw/zinc/64/17/44/858641744.db2.gz QIXVENVCJKQLBT-GOSISDBHSA-N 1 0 380.492 3.845 20 30 GHEDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595671506 858644657 /nfs/dbraw/zinc/64/46/57/858644657.db2.gz SGSZUNLHKRSDCT-YJBOKZPZSA-N 1 0 389.565 3.700 20 30 GHEDRO Cc1c(Cl)cccc1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595775202 858683331 /nfs/dbraw/zinc/68/33/31/858683331.db2.gz UDGWDCGBFFXQFT-UHFFFAOYSA-N 1 0 383.879 3.754 20 30 GHEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000595779526 858684907 /nfs/dbraw/zinc/68/49/07/858684907.db2.gz BSNUFNKHUKCCFY-NRFANRHFSA-N 1 0 378.520 3.764 20 30 GHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595788977 858689102 /nfs/dbraw/zinc/68/91/02/858689102.db2.gz LWHZARAQJKDRNM-LQWHRVPQSA-N 1 0 387.499 3.742 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC000595828831 858701525 /nfs/dbraw/zinc/70/15/25/858701525.db2.gz NTWAPQZCGDNVKU-UHFFFAOYSA-N 1 0 375.472 3.747 20 30 GHEDRO N#CCCC[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000595871175 858720898 /nfs/dbraw/zinc/72/08/98/858720898.db2.gz IQSHQHKDCUEAFE-FGZHOGPDSA-N 1 0 376.504 3.995 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@H]2CC=CCC2)c1C#N ZINC000543172605 858743392 /nfs/dbraw/zinc/74/33/92/858743392.db2.gz RSALWMVVXMJBON-SFHVURJKSA-N 1 0 380.492 3.845 20 30 GHEDRO CCOc1ccccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593135889 858745709 /nfs/dbraw/zinc/74/57/09/858745709.db2.gz OLRMTDSSEJNOSB-UHFFFAOYSA-N 1 0 378.476 3.743 20 30 GHEDRO CC(C)(C)OC(=O)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000596063884 858769664 /nfs/dbraw/zinc/76/96/64/858769664.db2.gz OZEZYEZCZYSALJ-NRFANRHFSA-N 1 0 383.536 3.875 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000507178586 858790291 /nfs/dbraw/zinc/79/02/91/858790291.db2.gz LUZKONJPASJOIJ-GOSISDBHSA-N 1 0 379.508 3.541 20 30 GHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2c(C)cc(C#N)cc2C)CC1 ZINC000596262154 858845963 /nfs/dbraw/zinc/84/59/63/858845963.db2.gz YCMSXIMKJHEPSO-UHFFFAOYSA-N 1 0 391.515 3.643 20 30 GHEDRO Cc1c(Cl)cnc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1C#N ZINC000543206129 858858149 /nfs/dbraw/zinc/85/81/49/858858149.db2.gz POYQOLKBGKEARY-GJZGRUSLSA-N 1 0 384.911 3.558 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000922958007 858894534 /nfs/dbraw/zinc/89/45/34/858894534.db2.gz MPLQFXZBAMGHLR-XMMPIXPASA-N 1 0 375.516 3.816 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596435311 858896710 /nfs/dbraw/zinc/89/67/10/858896710.db2.gz DPXLKUFEHUMASU-AVRDEDQJSA-N 1 0 376.504 3.578 20 30 GHEDRO N#Cc1cnc2c(F)ccc(F)c2c1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596443039 858899155 /nfs/dbraw/zinc/89/91/55/858899155.db2.gz WMOGBIOLBCYLLR-UHFFFAOYSA-N 1 0 393.441 3.526 20 30 GHEDRO Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000482843735 858912513 /nfs/dbraw/zinc/91/25/13/858912513.db2.gz XKTMDJAKPYZWSN-UHFFFAOYSA-N 1 0 381.451 3.878 20 30 GHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2C)c1C#N ZINC000482845731 858914710 /nfs/dbraw/zinc/91/47/10/858914710.db2.gz ROWYFNJDRNTKPM-ZBFHGGJFSA-N 1 0 382.483 3.833 20 30 GHEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+]C(C)(c2ccccc2)c2ccccc2)c1 ZINC001168712812 858963038 /nfs/dbraw/zinc/96/30/38/858963038.db2.gz PQJUKRCMNGJIBQ-UHFFFAOYSA-N 1 0 397.478 3.869 20 30 GHEDRO C=CCCSCCNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000596701899 859018212 /nfs/dbraw/zinc/01/82/12/859018212.db2.gz ZDRIGFKRYCRAMD-IAGOWNOFSA-N 1 0 377.554 3.727 20 30 GHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1O2 ZINC000596790129 859077658 /nfs/dbraw/zinc/07/76/58/859077658.db2.gz IVRSZRDUBWMMOR-LJQANCHMSA-N 1 0 381.520 3.955 20 30 GHEDRO CC#CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483105830 859151174 /nfs/dbraw/zinc/15/11/74/859151174.db2.gz RKADQMSURDWNIR-AEFFLSMTSA-N 1 0 381.442 3.801 20 30 GHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000596908482 859162671 /nfs/dbraw/zinc/16/26/71/859162671.db2.gz OKGNNLFXAGUYGH-AWEZNQCLSA-N 1 0 391.313 3.564 20 30 GHEDRO COc1ccc(C[C@@H](C)[NH+]2CCC(Oc3ccccc3C#N)CC2)c([N+](=O)[O-])c1 ZINC001170353530 881389493 /nfs/dbraw/zinc/38/94/93/881389493.db2.gz ZCVLDFMPLJCLJC-MRXNPFEDSA-N 1 0 395.459 3.949 20 30 GHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC001141777243 859218133 /nfs/dbraw/zinc/21/81/33/859218133.db2.gz APCQBXFVPDDHGI-WZONZLPQSA-N 1 0 393.531 3.943 20 30 GHEDRO C[C@@H](CCc1ccccc1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593294767 859306910 /nfs/dbraw/zinc/30/69/10/859306910.db2.gz NROHQHOITKGQOB-IBGZPJMESA-N 1 0 390.531 3.843 20 30 GHEDRO C=CCCn1cc(C[N@H+]2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)nn1 ZINC000626041101 859400040 /nfs/dbraw/zinc/40/00/40/859400040.db2.gz QPMJQWAVPHJPSO-GOEBONIOSA-N 1 0 375.314 3.995 20 30 GHEDRO C[C@@H](Cc1ccsc1)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593324099 859407930 /nfs/dbraw/zinc/40/79/30/859407930.db2.gz XXMKUKCXKGTINB-INIZCTEOSA-N 1 0 382.533 3.515 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(c3cnccn3)CCOCC2)CC1 ZINC001170371769 881423330 /nfs/dbraw/zinc/42/33/30/881423330.db2.gz LCAFBCYMXNWRHW-UHFFFAOYSA-N 1 0 376.504 3.519 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCc4ccccc43)CC2)c1 ZINC000593341524 859493680 /nfs/dbraw/zinc/49/36/80/859493680.db2.gz FNRSWTZCYPVCQE-OAQYLSRUSA-N 1 0 388.515 3.552 20 30 GHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000025287932 859494502 /nfs/dbraw/zinc/49/45/02/859494502.db2.gz XWBPPZCWTNEXSI-DHLKQENFSA-N 1 0 384.479 3.946 20 30 GHEDRO C[C@]1(NC(=O)CCCCOc2cccc(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342199 859494577 /nfs/dbraw/zinc/49/45/77/859494577.db2.gz NJNCRBDNZMDQKW-DEOSSOPVSA-N 1 0 391.515 3.888 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)COCc3cccc(Cl)c3)CC2)c1 ZINC000593347124 859516326 /nfs/dbraw/zinc/51/63/26/859516326.db2.gz DQGCVCVRSYGEIC-UHFFFAOYSA-N 1 0 397.906 3.509 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3CC(c4ccc(F)cc4)C3)CC2)c1 ZINC000593350319 859523858 /nfs/dbraw/zinc/52/38/58/859523858.db2.gz WHMKABLCQVYKBD-UHFFFAOYSA-N 1 0 391.490 3.972 20 30 GHEDRO C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1c(F)cccc1F ZINC000593350762 859525752 /nfs/dbraw/zinc/52/57/52/859525752.db2.gz GFWOPBGSWDTVMN-HNNXBMFYSA-N 1 0 383.442 3.721 20 30 GHEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC[N@@H+](C2CCC2)C1 ZINC000597427339 859530441 /nfs/dbraw/zinc/53/04/41/859530441.db2.gz QBTFHJCHGVBUPY-KRWDZBQOSA-N 1 0 390.535 3.537 20 30 GHEDRO CC(C)c1ccc(OCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593352213 859533751 /nfs/dbraw/zinc/53/37/51/859533751.db2.gz DGZJEWJEUJFGKX-UHFFFAOYSA-N 1 0 391.515 3.841 20 30 GHEDRO Cc1c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cnc2ccccc12 ZINC000593352819 859535640 /nfs/dbraw/zinc/53/56/40/859535640.db2.gz FAJBOMUFAQHYTL-UHFFFAOYSA-N 1 0 384.483 3.809 20 30 GHEDRO C[C@H]1C[C@@H]1c1ccc(CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593352657 859535964 /nfs/dbraw/zinc/53/59/64/859535964.db2.gz KJBHTEKPQYOWBZ-JTSKRJEESA-N 1 0 391.515 3.988 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)CC2)c1 ZINC000593348802 859538747 /nfs/dbraw/zinc/53/87/47/859538747.db2.gz MJUHQFFVQLRAGI-SJORKVTESA-N 1 0 379.426 3.617 20 30 GHEDRO C[NH+]1CCC(n2cc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)cn2)CC1 ZINC000601768431 859542489 /nfs/dbraw/zinc/54/24/89/859542489.db2.gz BPDULGOTYGWEQV-UHFFFAOYSA-N 1 0 378.263 3.581 20 30 GHEDRO Cc1nc(CC(C)C)c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593353318 859546494 /nfs/dbraw/zinc/54/64/94/859546494.db2.gz JYXITOFOWYUMJK-UHFFFAOYSA-N 1 0 396.560 3.916 20 30 GHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000483718580 859557333 /nfs/dbraw/zinc/55/73/33/859557333.db2.gz BRSNJQJBZGDHNT-VQTJNVASSA-N 1 0 386.540 3.968 20 30 GHEDRO C[C@@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)Cc1cccs1 ZINC000593359397 859563220 /nfs/dbraw/zinc/56/32/20/859563220.db2.gz OFDALTUZXCLSCR-QGZVFWFLSA-N 1 0 396.560 3.762 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2C)[NH+]2CCCC2)c1 ZINC000069614987 859596033 /nfs/dbraw/zinc/59/60/33/859596033.db2.gz YHYZZRREPRQQQO-OAQYLSRUSA-N 1 0 378.476 3.834 20 30 GHEDRO COC(=O)c1cccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1C#N ZINC000611128268 859615594 /nfs/dbraw/zinc/61/55/94/859615594.db2.gz KADPYNIVIXROGN-DENIHFKCSA-N 1 0 378.472 3.945 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](C(F)F)C2)c1C#N ZINC000611179885 859634266 /nfs/dbraw/zinc/63/42/66/859634266.db2.gz MSFDSPJQMIXMHI-HNNXBMFYSA-N 1 0 390.434 3.534 20 30 GHEDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000611225393 859657105 /nfs/dbraw/zinc/65/71/05/859657105.db2.gz POOWWVJWOIUCJG-CVEARBPZSA-N 1 0 388.581 3.632 20 30 GHEDRO COc1cc(OC)c(C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)c(OC)c1 ZINC000611235216 859658057 /nfs/dbraw/zinc/65/80/57/859658057.db2.gz PCQUOPXZKCHWMH-UHFFFAOYSA-N 1 0 396.487 3.972 20 30 GHEDRO CCc1ccc(C2=CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC000611319684 859692639 /nfs/dbraw/zinc/69/26/39/859692639.db2.gz OBFCHEPHOHDBNV-HSZRJFAPSA-N 1 0 376.500 3.844 20 30 GHEDRO C[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC12CCCCC2 ZINC000764955268 859697393 /nfs/dbraw/zinc/69/73/93/859697393.db2.gz OMLJHISVQKCDTR-GOSISDBHSA-N 1 0 394.519 3.572 20 30 GHEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000611348202 859722659 /nfs/dbraw/zinc/72/26/59/859722659.db2.gz RMTOMWYIIFLLCX-PGRDOPGGSA-N 1 0 375.520 3.501 20 30 GHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483948151 859724291 /nfs/dbraw/zinc/72/42/91/859724291.db2.gz BASOXLKZSPSLHK-MRXNPFEDSA-N 1 0 385.405 3.710 20 30 GHEDRO C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1cccc(C#N)c1 ZINC000611388876 859733269 /nfs/dbraw/zinc/73/32/69/859733269.db2.gz SVVCVFLRNMKIAI-YWZLYKJASA-N 1 0 376.485 3.571 20 30 GHEDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611389396 859733360 /nfs/dbraw/zinc/73/33/60/859733360.db2.gz VMDWXMUFVMEXBG-JTSKRJEESA-N 1 0 377.488 3.971 20 30 GHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(C#N)ccc43)C2)c1 ZINC000611393659 859735914 /nfs/dbraw/zinc/73/59/14/859735914.db2.gz JWULHEVYNBXUON-FDDCHVKYSA-N 1 0 377.488 3.821 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000611393086 859735955 /nfs/dbraw/zinc/73/59/55/859735955.db2.gz IDKMLYUIZITPSK-GKVQRAMASA-N 1 0 375.516 3.815 20 30 GHEDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CC2 ZINC000597703099 859750856 /nfs/dbraw/zinc/75/08/56/859750856.db2.gz CBTUGKQEVDAWJK-QFIPXVFZSA-N 1 0 394.563 3.640 20 30 GHEDRO C=CCn1c(-c2ccccn2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1=S ZINC000765055551 859755594 /nfs/dbraw/zinc/75/55/94/859755594.db2.gz UFVOPYJHLYUHSI-MSOLQXFVSA-N 1 0 398.580 3.567 20 30 GHEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)C2 ZINC000597717110 859760112 /nfs/dbraw/zinc/76/01/12/859760112.db2.gz ZBAROXNZOGQTLF-DEOSSOPVSA-N 1 0 389.499 3.695 20 30 GHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000543453798 859766993 /nfs/dbraw/zinc/76/69/93/859766993.db2.gz FMLCWDOCQWZCEL-FQEVSTJZSA-N 1 0 375.497 3.810 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3(C4CCC4)CCC3)CC2)c1 ZINC000593416146 859778476 /nfs/dbraw/zinc/77/84/76/859778476.db2.gz WNZPGNFYYDELQX-UHFFFAOYSA-N 1 0 380.536 3.792 20 30 GHEDRO COc1ccc(NC(=O)C2([NH2+]CC#Cc3ccccc3)CCCC2)cc1OC ZINC000484072006 859787336 /nfs/dbraw/zinc/78/73/36/859787336.db2.gz SXUSRGABXQVKFJ-UHFFFAOYSA-N 1 0 378.472 3.596 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000611503177 859787363 /nfs/dbraw/zinc/78/73/63/859787363.db2.gz PRNKULKRVFRKKR-FXAWDEMLSA-N 1 0 386.540 3.513 20 30 GHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000484103857 859807119 /nfs/dbraw/zinc/80/71/19/859807119.db2.gz TXIWTLSPCKZTAU-NRFANRHFSA-N 1 0 395.478 3.939 20 30 GHEDRO C[NH+](C)[C@H](CC(=O)N1CCC(Nc2ccccc2C#N)CC1)c1ccccc1 ZINC000602182698 859841415 /nfs/dbraw/zinc/84/14/15/859841415.db2.gz HYAYONRMYRAMJV-JOCHJYFZSA-N 1 0 376.504 3.654 20 30 GHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000765357647 859926336 /nfs/dbraw/zinc/92/63/36/859926336.db2.gz BQCNBKGAGDJLOX-FDDCHVKYSA-N 1 0 382.479 3.562 20 30 GHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508911737 859943723 /nfs/dbraw/zinc/94/37/23/859943723.db2.gz BZUJYGCMHJRXTB-IBGZPJMESA-N 1 0 383.540 3.981 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1Br)C(C)C ZINC000598109740 860055101 /nfs/dbraw/zinc/05/51/01/860055101.db2.gz RZVIHWGSEUOGJV-AWEZNQCLSA-N 1 0 397.361 3.724 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508928520 860066118 /nfs/dbraw/zinc/06/61/18/860066118.db2.gz AGBHMAOEHBJLKG-HXUWFJFHSA-N 1 0 397.567 3.828 20 30 GHEDRO C[C@@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511168 860069798 /nfs/dbraw/zinc/06/97/98/860069798.db2.gz UEOHALZURFGMLI-MRXNPFEDSA-N 1 0 394.544 3.913 20 30 GHEDRO CCN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H](C)c1cccnc1 ZINC000593511339 860071936 /nfs/dbraw/zinc/07/19/36/860071936.db2.gz LNDUPBGPFOGRGY-GOSISDBHSA-N 1 0 391.519 3.710 20 30 GHEDRO CCOc1ccc(C2(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)CCOCC2)cc1 ZINC000602521096 860073843 /nfs/dbraw/zinc/07/38/43/860073843.db2.gz LWLOMZAYZIZUHA-IBGZPJMESA-N 1 0 386.536 3.822 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000602526133 860097611 /nfs/dbraw/zinc/09/76/11/860097611.db2.gz LVVHORJEJKWLPL-PXNSSMCTSA-N 1 0 376.504 3.689 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000602561063 860113037 /nfs/dbraw/zinc/11/30/37/860113037.db2.gz QPCCXXKMLZNCSM-GJZGRUSLSA-N 1 0 381.314 3.905 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000602566850 860118714 /nfs/dbraw/zinc/11/87/14/860118714.db2.gz BZPHMIBIQBQNBW-WBVHZDCISA-N 1 0 384.442 3.545 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(c1nc(-c3ccccc3OCC3CCCC3)no1)C2 ZINC000904105455 860128776 /nfs/dbraw/zinc/12/87/76/860128776.db2.gz IDPFPGGOUVDQRM-PSCUFVCCSA-N 1 0 378.476 3.912 20 30 GHEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387083 881503659 /nfs/dbraw/zinc/50/36/59/881503659.db2.gz PPROEGQEAYBGBD-HMXGKDEJSA-N 1 0 390.531 3.926 20 30 GHEDRO N#CC1CCC([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000602584535 860147219 /nfs/dbraw/zinc/14/72/19/860147219.db2.gz FIUCKYRKAJJDIM-IUPXNIOVSA-N 1 0 379.426 3.868 20 30 GHEDRO C[C@]12CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000593517681 860147260 /nfs/dbraw/zinc/14/72/60/860147260.db2.gz UBFDIPOOWZYZQY-DAVFGYKESA-N 1 0 392.547 3.600 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000602619107 860157326 /nfs/dbraw/zinc/15/73/26/860157326.db2.gz MAFXUQHKJZFNOM-CRAIPNDOSA-N 1 0 383.458 3.997 20 30 GHEDRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1 ZINC000499912229 860171268 /nfs/dbraw/zinc/17/12/68/860171268.db2.gz IKEPPRLSVOXJRS-MBPVOVBZSA-N 1 0 391.515 3.969 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc([C@@H]4CCCO4)s3)C2)c(F)c1 ZINC000328855293 860247478 /nfs/dbraw/zinc/24/74/78/860247478.db2.gz JWNZPWOBQZYGQS-BEFAXECRSA-N 1 0 386.496 3.764 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]Cc1ccc(C#N)cc1)CCO2 ZINC000921542213 860255912 /nfs/dbraw/zinc/25/59/12/860255912.db2.gz GIJFKKDBCDUQBM-LJQANCHMSA-N 1 0 385.508 3.597 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000484690570 860275435 /nfs/dbraw/zinc/27/54/35/860275435.db2.gz PLOAUUONJWWBDV-ICSRJNTNSA-N 1 0 397.519 3.695 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(F)c1 ZINC000598395493 860277997 /nfs/dbraw/zinc/27/79/97/860277997.db2.gz CSEVDJQHLPKQJH-SFHVURJKSA-N 1 0 395.453 3.869 20 30 GHEDRO C[NH+](C)CC[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1cccnc1 ZINC000922631660 860361042 /nfs/dbraw/zinc/36/10/42/860361042.db2.gz XNEUIRSGLOXVQC-QFIPXVFZSA-N 1 0 388.519 3.641 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)nc1 ZINC000602913570 860363775 /nfs/dbraw/zinc/36/37/75/860363775.db2.gz WKOMGPXWFYEDEW-URXFXBBRSA-N 1 0 391.515 3.588 20 30 GHEDRO N#CC(CC[NH+]1CCC(CCO)(CCO)CC1)(c1ccccc1)c1ccccc1 ZINC000602965489 860373378 /nfs/dbraw/zinc/37/33/78/860373378.db2.gz GYFKIGHJBKHFNP-UHFFFAOYSA-N 1 0 392.543 3.733 20 30 GHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000555291213 860374916 /nfs/dbraw/zinc/37/49/16/860374916.db2.gz BYCZMYSURHKOJZ-FGZHOGPDSA-N 1 0 382.529 3.784 20 30 GHEDRO CCN(CC)C(=O)NC1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170398039 881531621 /nfs/dbraw/zinc/53/16/21/881531621.db2.gz JRLVOWHAAGKTNX-UHFFFAOYSA-N 1 0 382.552 3.906 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000598584043 860404378 /nfs/dbraw/zinc/40/43/78/860404378.db2.gz HZOJSKKAGYUKST-JOCHJYFZSA-N 1 0 377.532 3.694 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000552275053 860415316 /nfs/dbraw/zinc/41/53/16/860415316.db2.gz JJRVACKWLQPXGX-UHFFFAOYSA-N 1 0 390.409 3.609 20 30 GHEDRO CC(C)[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC[NH2+]1 ZINC000598574207 860417540 /nfs/dbraw/zinc/41/75/40/860417540.db2.gz LJWBYFYDMMWDTC-FQEVSTJZSA-N 1 0 379.529 3.921 20 30 GHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000329833242 860442187 /nfs/dbraw/zinc/44/21/87/860442187.db2.gz UEDYZHCZZDILQW-XLNTUCKNSA-N 1 0 380.492 3.760 20 30 GHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cc(Cl)ccc1OC(F)F ZINC001168552292 860475610 /nfs/dbraw/zinc/47/56/10/860475610.db2.gz COPMPQKKALTFHF-OCCSQVGLSA-N 1 0 388.842 3.663 20 30 GHEDRO N#Cc1ccc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)nc1 ZINC000390817481 860499469 /nfs/dbraw/zinc/49/94/69/860499469.db2.gz OKSHNWXPEQRHFL-UHFFFAOYSA-N 1 0 384.483 3.776 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC000170934976 860499783 /nfs/dbraw/zinc/49/97/83/860499783.db2.gz AZDIZBMGKQUPDH-UHFFFAOYSA-N 1 0 380.467 3.683 20 30 GHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000598699661 860512181 /nfs/dbraw/zinc/51/21/81/860512181.db2.gz HMAFQLGQHLGTHH-UXHICEINSA-N 1 0 383.561 3.738 20 30 GHEDRO CC[NH+](CC)CCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552696810 860556221 /nfs/dbraw/zinc/55/62/21/860556221.db2.gz VNENQMOXYRJGFH-UHFFFAOYSA-N 1 0 390.959 3.666 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000552696136 860556296 /nfs/dbraw/zinc/55/62/96/860556296.db2.gz LQVRPWJUPQBBQL-PGRDOPGGSA-N 1 0 389.499 3.836 20 30 GHEDRO C=CC[NH+]1CCC(NCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CC1 ZINC000172119980 860571570 /nfs/dbraw/zinc/57/15/70/860571570.db2.gz LMLBCBWDLUXJPV-UHFFFAOYSA-N 1 0 384.549 3.876 20 30 GHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624979190 860586692 /nfs/dbraw/zinc/58/66/92/860586692.db2.gz KMSNDTMQDNEJGS-UHFFFAOYSA-N 1 0 387.572 3.593 20 30 GHEDRO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC1 ZINC001170381174 881557546 /nfs/dbraw/zinc/55/75/46/881557546.db2.gz JLSZWQIKSHGLQY-VJVHVJQPSA-N 1 0 385.511 3.985 20 30 GHEDRO N#CC1(c2ccccc2)CCC([NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)CC1 ZINC001170381629 881557739 /nfs/dbraw/zinc/55/77/39/881557739.db2.gz UCNDFRSIXJIDLA-OGWRGKRKSA-N 1 0 392.572 3.911 20 30 GHEDRO CCOC[C@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)Cc2cn(C)nc21 ZINC001170383769 881559087 /nfs/dbraw/zinc/55/90/87/881559087.db2.gz PGQDLUJJTVCKRS-VWRAKTAISA-N 1 0 378.520 3.760 20 30 GHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000156157593 860696359 /nfs/dbraw/zinc/69/63/59/860696359.db2.gz RCLOTXANZPTXDE-UHFFFAOYSA-N 1 0 395.528 3.903 20 30 GHEDRO C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000098029859 860700283 /nfs/dbraw/zinc/70/02/83/860700283.db2.gz PZWBWTZLZRIPJB-UHFFFAOYSA-N 1 0 378.476 3.719 20 30 GHEDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000129701145 860704914 /nfs/dbraw/zinc/70/49/14/860704914.db2.gz NMDYNDKBGCZEOZ-UHFFFAOYSA-N 1 0 391.515 3.987 20 30 GHEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)cc2)CC1 ZINC000598995922 860729548 /nfs/dbraw/zinc/72/95/48/860729548.db2.gz KIHOPQTXPOENGF-GOSISDBHSA-N 1 0 383.854 3.929 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@]2(C)CCOC2)cc1OCC ZINC000603515740 860785708 /nfs/dbraw/zinc/78/57/08/860785708.db2.gz GNPLRVCGWXMORG-SFHVURJKSA-N 1 0 384.314 3.929 20 30 GHEDRO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000593679172 860802623 /nfs/dbraw/zinc/80/26/23/860802623.db2.gz VWPHICACFBKUEO-HSZRJFAPSA-N 1 0 385.515 3.834 20 30 GHEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692793 860859509 /nfs/dbraw/zinc/85/95/09/860859509.db2.gz KFSZRBQDXIDDPV-NLFFAJNJSA-N 1 0 388.559 3.633 20 30 GHEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cnc(-c4ccccn4)s3)CC2)c1 ZINC000593693036 860864392 /nfs/dbraw/zinc/86/43/92/860864392.db2.gz MMYBCPLLHBKAFU-UHFFFAOYSA-N 1 0 389.528 3.831 20 30 GHEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509082226 860896846 /nfs/dbraw/zinc/89/68/46/860896846.db2.gz VPXHSRYOICJCSD-HNNXBMFYSA-N 1 0 392.341 3.563 20 30 GHEDRO Cc1ccc(CO[C@H](C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000600082629 860923340 /nfs/dbraw/zinc/92/33/40/860923340.db2.gz PLQNNQZJJXAFBP-LJQANCHMSA-N 1 0 391.515 3.553 20 30 GHEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262273630 860923862 /nfs/dbraw/zinc/92/38/62/860923862.db2.gz UIUQEOPGRFPYKB-SLFFLAALSA-N 1 0 380.540 3.600 20 30 GHEDRO C[C@H](CNC(=O)CCN1C(=O)CSc2ccccc21)[NH+]1CCC(C)CC1 ZINC000329009849 860945746 /nfs/dbraw/zinc/94/57/46/860945746.db2.gz DEQSSNNCWARTEQ-MRXNPFEDSA-N 1 0 375.538 3.592 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1COc2ccccc21 ZINC000185557884 860948159 /nfs/dbraw/zinc/94/81/59/860948159.db2.gz NVYYBRRSQAUXDK-KDOFPFPSSA-N 1 0 395.528 3.981 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]CCNC(=O)c2ccccc2F)cc1OC ZINC000623371776 860956047 /nfs/dbraw/zinc/95/60/47/860956047.db2.gz RLEWLPASOVTGHL-UHFFFAOYSA-N 1 0 392.858 3.572 20 30 GHEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000603660710 860994547 /nfs/dbraw/zinc/99/45/47/860994547.db2.gz KXCJTVJTPIGQIL-IBGZPJMESA-N 1 0 391.924 3.573 20 30 GHEDRO COC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(F)c(F)c1 ZINC000593719947 861000908 /nfs/dbraw/zinc/00/09/08/861000908.db2.gz DMPPDGWVLYRFMV-QFIPXVFZSA-N 1 0 385.458 3.778 20 30 GHEDRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 ZINC000329089977 861008276 /nfs/dbraw/zinc/00/82/76/861008276.db2.gz WJWGGMFCPMTOMY-UHFFFAOYSA-N 1 0 386.540 3.767 20 30 GHEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000593721607 861009838 /nfs/dbraw/zinc/00/98/38/861009838.db2.gz QUVOYJIHICSMIE-KRWDZBQOSA-N 1 0 377.488 3.645 20 30 GHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)CCOCC1 ZINC000599286313 861014090 /nfs/dbraw/zinc/01/40/90/861014090.db2.gz GZJPABHMLZYCQP-FYYLOGMGSA-N 1 0 376.500 3.705 20 30 GHEDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593726008 861034575 /nfs/dbraw/zinc/03/45/75/861034575.db2.gz VGRCZTYTYQAVTM-OAQYLSRUSA-N 1 0 379.479 3.947 20 30 GHEDRO C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(C#N)cc1 ZINC000599349128 861088373 /nfs/dbraw/zinc/08/83/73/861088373.db2.gz DXSCBXOZDPUJIG-KPZWWZAWSA-N 1 0 384.277 3.925 20 30 GHEDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(F)cc1C#N)[NH+]1CCCC1 ZINC000097036566 861095772 /nfs/dbraw/zinc/09/57/72/861095772.db2.gz TVBHHTOLTPCCQJ-IBGZPJMESA-N 1 0 382.439 3.665 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@]23CCCO3)cc1OC ZINC000623492418 861115894 /nfs/dbraw/zinc/11/58/94/861115894.db2.gz YIQYGANMVHFVKR-GGPKGHCWSA-N 1 0 381.900 3.730 20 30 GHEDRO C=CCOc1c(Cl)cc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000623507729 861125258 /nfs/dbraw/zinc/12/52/58/861125258.db2.gz XSYCCCKEEPTICN-INIZCTEOSA-N 1 0 382.932 3.504 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1OC ZINC000623516364 861147210 /nfs/dbraw/zinc/14/72/10/861147210.db2.gz OXJZEFULGLPEIQ-JXFKEZNVSA-N 1 0 395.927 3.571 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+](C)C)c1 ZINC000171138462 863079029 /nfs/dbraw/zinc/07/90/29/863079029.db2.gz QYFZYXKOJAQQCY-SFHVURJKSA-N 1 0 383.496 3.548 20 30 GHEDRO Cc1cc(C[NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)ccc1C#N ZINC000443984040 863094451 /nfs/dbraw/zinc/09/44/51/863094451.db2.gz SFWIXCPETUMAMV-MRXNPFEDSA-N 1 0 378.394 3.706 20 30 GHEDRO O=C(NCC#Cc1ccccc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475051237 863161620 /nfs/dbraw/zinc/16/16/20/863161620.db2.gz ZSFAYANEWRAFME-RUZDIDTESA-N 1 0 387.527 3.736 20 30 GHEDRO C[C@@H](CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000482493202 863223436 /nfs/dbraw/zinc/22/34/36/863223436.db2.gz WPXBNUCZKZGJKQ-SFHVURJKSA-N 1 0 379.504 3.742 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCOC[C@H]1c1ccc(CC)o1)C(C)C ZINC000605956727 863330959 /nfs/dbraw/zinc/33/09/59/863330959.db2.gz FDSVVZHQQZSEQU-PMACEKPBSA-N 1 0 389.540 3.624 20 30 GHEDRO Cc1ccsc1CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000160173617 863371389 /nfs/dbraw/zinc/37/13/89/863371389.db2.gz WMWRDAMHBQKGEP-UHFFFAOYSA-N 1 0 381.545 3.985 20 30 GHEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000281871312 863443595 /nfs/dbraw/zinc/44/35/95/863443595.db2.gz CGSBUUDQGSTRCW-KRWDZBQOSA-N 1 0 381.314 3.515 20 30 GHEDRO CCCc1c(NC(=O)N2CCC[N@@H+](C(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439707329 863589327 /nfs/dbraw/zinc/58/93/27/863589327.db2.gz XHOOLAQNVGIQKL-UHFFFAOYSA-N 1 0 394.523 3.644 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667606518 863887757 /nfs/dbraw/zinc/88/77/57/863887757.db2.gz GSTNEJWFRVBCRB-YOEHRIQHSA-N 1 0 386.521 3.603 20 30 GHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667606544 863890700 /nfs/dbraw/zinc/89/07/00/863890700.db2.gz HFICRQJSEROIDG-WBVHZDCISA-N 1 0 386.521 3.746 20 30 GHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594059528 863942524 /nfs/dbraw/zinc/94/25/24/863942524.db2.gz DUFNIYROTVGIJW-UHFFFAOYSA-N 1 0 378.476 3.827 20 30 GHEDRO N#Cc1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000554410648 864281224 /nfs/dbraw/zinc/28/12/24/864281224.db2.gz FZGINISBEQDNFQ-INIZCTEOSA-N 1 0 391.313 3.803 20 30 GHEDRO COc1ccc(C#N)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000554471110 864387304 /nfs/dbraw/zinc/38/73/04/864387304.db2.gz YHYYHXMYQRVSDL-IHWFROFDSA-N 1 0 390.487 3.884 20 30 GHEDRO C=CC[C@@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000734667940 864393520 /nfs/dbraw/zinc/39/35/20/864393520.db2.gz VAJXSURQPGUNFY-IFMALSPDSA-N 1 0 378.520 3.563 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000184526967 864634240 /nfs/dbraw/zinc/63/42/40/864634240.db2.gz VNILUBNSMUNVSP-MAUKXSAKSA-N 1 0 379.485 3.772 20 30 GHEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000063463842 864801686 /nfs/dbraw/zinc/80/16/86/864801686.db2.gz USFSAXORFJGOPF-GHTZIAJQSA-N 1 0 376.504 3.831 20 30 GHEDRO N#Cc1cccnc1N1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000609770935 864808171 /nfs/dbraw/zinc/80/81/71/864808171.db2.gz OOXXEAKSQXKLGS-DAFODLJHSA-N 1 0 397.320 3.941 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1C ZINC000735491159 864812245 /nfs/dbraw/zinc/81/22/45/864812245.db2.gz AVFHAPCWIKZFJA-FUDKSRODSA-N 1 0 396.579 3.887 20 30 GHEDRO N#Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000480583385 864909990 /nfs/dbraw/zinc/90/99/90/864909990.db2.gz VLGXODGXGCOSBD-KDURUIRLSA-N 1 0 399.454 3.583 20 30 GHEDRO N#Cc1cc(Br)ccc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000609849292 865079370 /nfs/dbraw/zinc/07/93/70/865079370.db2.gz IIRNYHUOYWDQKE-UHFFFAOYSA-N 1 0 378.314 3.768 20 30 GHEDRO C=C(C)C[NH+]1CCC(Nc2ccc(C(=O)N3CCc4ccccc43)cn2)CC1 ZINC000301235183 865238299 /nfs/dbraw/zinc/23/82/99/865238299.db2.gz LIUIWXFZVNYTOD-UHFFFAOYSA-N 1 0 376.504 3.737 20 30 GHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189425578 881854223 /nfs/dbraw/zinc/85/42/23/881854223.db2.gz MOJKEDGZBDGPJT-UHFFFAOYSA-N 1 0 379.504 3.682 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)CCSc2ccc(Br)cc2)CC1 ZINC000171715569 865341827 /nfs/dbraw/zinc/34/18/27/865341827.db2.gz YMHJVSOANXEOBJ-UHFFFAOYSA-N 1 0 383.355 3.698 20 30 GHEDRO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899124224 865343812 /nfs/dbraw/zinc/34/38/12/865343812.db2.gz QTOBXLVLFDFWHE-LNRXMEIDSA-N 1 0 380.536 3.622 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000171740387 865351095 /nfs/dbraw/zinc/35/10/95/865351095.db2.gz WFVBSRAWEVTIRI-UHFFFAOYSA-N 1 0 396.466 3.850 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000063822990 865438436 /nfs/dbraw/zinc/43/84/36/865438436.db2.gz NACAMBAQDQSKAU-HNNXBMFYSA-N 1 0 386.565 3.937 20 30 GHEDRO C[C@@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000174131544 865450999 /nfs/dbraw/zinc/45/09/99/865450999.db2.gz WIBMTOZGVXCZIL-OAHLLOKOSA-N 1 0 385.512 3.751 20 30 GHEDRO C[C@@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000594249764 865604868 /nfs/dbraw/zinc/60/48/68/865604868.db2.gz WSSCCALOVWWOTC-DYESRHJHSA-N 1 0 376.504 3.928 20 30 GHEDRO C[C@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000594250359 865605867 /nfs/dbraw/zinc/60/58/67/865605867.db2.gz ONEUEGAHIIFXOK-PKOBYXMFSA-N 1 0 380.536 3.890 20 30 GHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000594271883 865641971 /nfs/dbraw/zinc/64/19/71/865641971.db2.gz ASJAPJCZUPWRDB-MRXNPFEDSA-N 1 0 392.494 3.845 20 30 GHEDRO COc1ccc(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cc1C#N ZINC000174281160 865660442 /nfs/dbraw/zinc/66/04/42/865660442.db2.gz YSFUOZDLGUNNBW-UHFFFAOYSA-N 1 0 389.455 3.709 20 30 GHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000567605730 865753166 /nfs/dbraw/zinc/75/31/66/865753166.db2.gz BUKKBAUTRXHGLY-HIGZBPRKSA-N 1 0 381.516 3.643 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000173206439 865775848 /nfs/dbraw/zinc/77/58/48/865775848.db2.gz LFHBFLYVGZZETD-RTBURBONSA-N 1 0 387.487 3.858 20 30 GHEDRO COC(=O)[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(C#N)cc1 ZINC000740000693 865822702 /nfs/dbraw/zinc/82/27/02/865822702.db2.gz PFKBEPZEKRAMLT-QHCPKHFHSA-N 1 0 391.515 3.938 20 30 GHEDRO N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)s1 ZINC000740049557 865838067 /nfs/dbraw/zinc/83/80/67/865838067.db2.gz XARCVXDGDLPFJC-OALUTQOASA-N 1 0 380.517 3.713 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000481161921 865897939 /nfs/dbraw/zinc/89/79/39/865897939.db2.gz BZPJKAMYGDAIHJ-IRLDBZIGSA-N 1 0 382.529 3.723 20 30 GHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000174379526 865901608 /nfs/dbraw/zinc/90/16/08/865901608.db2.gz LVTRYHUMQMJGMQ-RTBURBONSA-N 1 0 387.487 3.858 20 30 GHEDRO Cc1cc(C#N)cc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000455980398 865944554 /nfs/dbraw/zinc/94/45/54/865944554.db2.gz FVHNHTLBATXMEH-ROUUACIJSA-N 1 0 384.524 3.610 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000740736312 865974116 /nfs/dbraw/zinc/97/41/16/865974116.db2.gz NRBWWGYWADCXCQ-UHFFFAOYSA-N 1 0 379.485 3.774 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)CC1 ZINC000740737778 865976282 /nfs/dbraw/zinc/97/62/82/865976282.db2.gz WOBYSLXGNCEUBO-UHFFFAOYSA-N 1 0 387.936 3.989 20 30 GHEDRO CC(C)(O)C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCOCC1 ZINC000537633940 881933161 /nfs/dbraw/zinc/93/31/61/881933161.db2.gz QUOIJVGWKTWWDC-UHFFFAOYSA-N 1 0 394.515 3.889 20 30 GHEDRO COC1CC[NH+](CCNC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000614749822 866139533 /nfs/dbraw/zinc/13/95/33/866139533.db2.gz FWVQBQINZOGXAV-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CCC(C)(C(=O)OC)CC3)C2)CC1 ZINC001168772175 866145345 /nfs/dbraw/zinc/14/53/45/866145345.db2.gz FTCIOSZLFBSLMO-UHFFFAOYSA-N 1 0 392.540 3.609 20 30 GHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)sc2c1CCC2 ZINC000186618849 866378235 /nfs/dbraw/zinc/37/82/35/866378235.db2.gz SFKZTQTXEYIRNQ-JOCHJYFZSA-N 1 0 393.512 3.568 20 30 GHEDRO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000478715699 866522520 /nfs/dbraw/zinc/52/25/20/866522520.db2.gz FPUSHZRXDKUNFA-OAHLLOKOSA-N 1 0 389.550 3.807 20 30 GHEDRO CCN(CC)C(=[NH2+])NCCOc1c(Cl)cc(Br)cc1Cl ZINC000305768296 866639851 /nfs/dbraw/zinc/63/98/51/866639851.db2.gz GDTGJVRRVXJHHV-UHFFFAOYSA-N 1 0 383.117 3.791 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000183544945 866850781 /nfs/dbraw/zinc/85/07/81/866850781.db2.gz TVHREWJEFNTCIQ-UHFFFAOYSA-N 1 0 385.471 3.742 20 30 GHEDRO C[NH+](C)Cc1ccc(CNC(=O)c2occc2COc2cccc(C#N)c2)cc1 ZINC000523289666 866998666 /nfs/dbraw/zinc/99/86/66/866998666.db2.gz AVEDEVTUVYZEAC-UHFFFAOYSA-N 1 0 389.455 3.722 20 30 GHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189893778 882036730 /nfs/dbraw/zinc/03/67/30/882036730.db2.gz JZKHKLVGYLVQAZ-PGRDOPGGSA-N 1 0 377.488 3.691 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)CC1 ZINC000534564039 867015274 /nfs/dbraw/zinc/01/52/74/867015274.db2.gz ZZGFEVGBTGQCHY-UHFFFAOYSA-N 1 0 392.425 3.784 20 30 GHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444685732 867030594 /nfs/dbraw/zinc/03/05/94/867030594.db2.gz PONFUXZGHULQRW-IBGZPJMESA-N 1 0 391.515 3.994 20 30 GHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H]1CCCC[C@@H]1C ZINC000444681186 867057579 /nfs/dbraw/zinc/05/75/79/867057579.db2.gz YSOOZGWORFKIQC-JXFKEZNVSA-N 1 0 388.556 3.852 20 30 GHEDRO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000444718605 867134118 /nfs/dbraw/zinc/13/41/18/867134118.db2.gz VYBYSCIAJCYSGS-RDTXWAMCSA-N 1 0 380.330 3.632 20 30 GHEDRO C=CC[C@H]1[N@H+](CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CCCC1(C)C ZINC000444772836 867211031 /nfs/dbraw/zinc/21/10/31/867211031.db2.gz BMCOZHRGSJWELP-LJQANCHMSA-N 1 0 385.552 3.733 20 30 GHEDRO COc1cccc([C@H](C)N2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)c1 ZINC000455922464 867247840 /nfs/dbraw/zinc/24/78/40/867247840.db2.gz QVSTWONKBZYEQJ-KRWDZBQOSA-N 1 0 378.476 3.672 20 30 GHEDRO C=CCc1cc(C[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2=O)cc(OC)c1O ZINC000742380860 867248991 /nfs/dbraw/zinc/24/89/91/867248991.db2.gz RIGNGBZYTCDWPP-FQEVSTJZSA-N 1 0 380.488 3.723 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@](C)(O)c1cc(C)oc1C ZINC000742373766 867267390 /nfs/dbraw/zinc/26/73/90/867267390.db2.gz DMOXVKRBCSZYPJ-IBGZPJMESA-N 1 0 392.293 3.668 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C12CCCCC2 ZINC000429787496 867333873 /nfs/dbraw/zinc/33/38/73/867333873.db2.gz NQLANNVCWNKZBC-ZWKOTPCHSA-N 1 0 375.900 3.868 20 30 GHEDRO N#CC1(NC(=O)C/C=C/c2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479214334 867366426 /nfs/dbraw/zinc/36/64/26/867366426.db2.gz JYHFBDQNOWIHSH-WEVVVXLNSA-N 1 0 377.463 3.904 20 30 GHEDRO N#CC1(NC(=O)c2cccc(-n3cccc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479248712 867421079 /nfs/dbraw/zinc/42/10/79/867421079.db2.gz QJEUBIHDNRTEEL-UHFFFAOYSA-N 1 0 384.483 3.765 20 30 GHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCn1cnc2ccccc21 ZINC000742689569 867485811 /nfs/dbraw/zinc/48/58/11/867485811.db2.gz WGMNRLIZWIBWCB-UHFFFAOYSA-N 1 0 384.277 3.601 20 30 GHEDRO COc1cc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)ccc1C#N ZINC000440607465 867501621 /nfs/dbraw/zinc/50/16/21/867501621.db2.gz BVPAXMURDXYTOI-UHFFFAOYSA-N 1 0 392.503 3.993 20 30 GHEDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cc(C#N)cs3)nc12 ZINC000546267023 867591430 /nfs/dbraw/zinc/59/14/30/867591430.db2.gz WRHLBTZWYNUPHU-UHFFFAOYSA-N 1 0 375.295 3.671 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000553539775 867605689 /nfs/dbraw/zinc/60/56/89/867605689.db2.gz VZAGCZGJJXZAJW-JOCHJYFZSA-N 1 0 392.499 3.955 20 30 GHEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000523600733 867630814 /nfs/dbraw/zinc/63/08/14/867630814.db2.gz CKFGNHITUTYJTF-BDWAOYLISA-N 1 0 398.551 3.668 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000523633697 867699049 /nfs/dbraw/zinc/69/90/49/867699049.db2.gz FRRDCUHHLOMLTQ-UHFFFAOYSA-N 1 0 380.439 3.937 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC000743044849 867778174 /nfs/dbraw/zinc/77/81/74/867778174.db2.gz RZNUNIQJBXDDOJ-LCJGRQSSSA-N 1 0 391.515 3.814 20 30 GHEDRO N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)C(N)=O)cc1 ZINC000523735743 867873369 /nfs/dbraw/zinc/87/33/69/867873369.db2.gz YMIGWRKGMMBJKO-VLXQJXAPSA-N 1 0 393.490 3.972 20 30 GHEDRO C#CCOc1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000743146556 867897415 /nfs/dbraw/zinc/89/74/15/867897415.db2.gz HPRGZWNFHXLWIJ-FQEVSTJZSA-N 1 0 377.488 3.684 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000479516044 867942914 /nfs/dbraw/zinc/94/29/14/867942914.db2.gz UNWCDCKEPGJHDL-GOSISDBHSA-N 1 0 391.515 3.940 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000743200700 867951394 /nfs/dbraw/zinc/95/13/94/867951394.db2.gz LMEPJTVBJMESSG-UHFFFAOYSA-N 1 0 395.478 3.871 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000743200323 867951422 /nfs/dbraw/zinc/95/14/22/867951422.db2.gz ABOSVNPWYNIANM-KRWDZBQOSA-N 1 0 387.480 3.858 20 30 GHEDRO C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000743202834 867953801 /nfs/dbraw/zinc/95/38/01/867953801.db2.gz QJOQJPHECGVQIB-UHFFFAOYSA-N 1 0 381.451 3.755 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000479534490 867957215 /nfs/dbraw/zinc/95/72/15/867957215.db2.gz TWRIACYKHVTYIL-MRXNPFEDSA-N 1 0 381.476 3.533 20 30 GHEDRO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000155951375 868196150 /nfs/dbraw/zinc/19/61/50/868196150.db2.gz PJNYNQZWYDGFFQ-NHCUHLMSSA-N 1 0 377.573 3.532 20 30 GHEDRO C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(C#N)cc1 ZINC000553799768 868211345 /nfs/dbraw/zinc/21/13/45/868211345.db2.gz QMSZJWWDXZGBEF-CYFREDJKSA-N 1 0 388.515 3.927 20 30 GHEDRO CCOc1ccc(O)c(C=Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)c1 ZINC000743502005 868228163 /nfs/dbraw/zinc/22/81/63/868228163.db2.gz VPHAESIZJNEDII-UHFFFAOYSA-N 1 0 383.492 3.692 20 30 GHEDRO C#CCC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)CC1 ZINC000743493313 868237644 /nfs/dbraw/zinc/23/76/44/868237644.db2.gz NPBOPVDOXWAHDE-UHFFFAOYSA-N 1 0 388.511 3.752 20 30 GHEDRO CC(C)([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)N1CCCC1 ZINC000793394752 882169853 /nfs/dbraw/zinc/16/98/53/882169853.db2.gz KBMINKLBCRZWHW-UHFFFAOYSA-N 1 0 377.488 3.628 20 30 GHEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1O ZINC000172112631 882170263 /nfs/dbraw/zinc/17/02/63/882170263.db2.gz GQMHHVYUCAABLR-UHFFFAOYSA-N 1 0 380.488 3.524 20 30 GHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000669805672 868293277 /nfs/dbraw/zinc/29/32/77/868293277.db2.gz HVFIJEXVIMOHOZ-LJQANCHMSA-N 1 0 388.519 3.744 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000743613444 868303481 /nfs/dbraw/zinc/30/34/81/868303481.db2.gz PVXVTRNQTVGPIJ-GHTZIAJQSA-N 1 0 397.544 3.642 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000553878363 868361065 /nfs/dbraw/zinc/36/10/65/868361065.db2.gz USEBQVIDMPGMHO-UHFFFAOYSA-N 1 0 391.384 3.823 20 30 GHEDRO CC(C)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H](O)c1ccc(F)cc1 ZINC000743850344 868451974 /nfs/dbraw/zinc/45/19/74/868451974.db2.gz JUVDGLKNIIMDPL-FQEVSTJZSA-N 1 0 394.450 3.939 20 30 GHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669806843 868499338 /nfs/dbraw/zinc/49/93/38/868499338.db2.gz ZKDPENCBNGYOPX-UHFFFAOYSA-N 1 0 380.540 3.619 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000669806914 868531079 /nfs/dbraw/zinc/53/10/79/868531079.db2.gz HKFFUOIRTULXQI-KRWDZBQOSA-N 1 0 376.508 3.677 20 30 GHEDRO CC[NH+]=C(NC[C@H](C)Oc1ccccc1Cl)N1CCC2(C1)CCOCC2 ZINC000262769339 882202622 /nfs/dbraw/zinc/20/26/22/882202622.db2.gz HDYADHYAWAVJKW-INIZCTEOSA-N 1 0 379.932 3.575 20 30 GHEDRO COc1cccc(NC(=[NH2+])NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000183890655 868574992 /nfs/dbraw/zinc/57/49/92/868574992.db2.gz OQVYAGAQWHIREZ-KRWDZBQOSA-N 1 0 380.414 3.744 20 30 GHEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000157347442 868631320 /nfs/dbraw/zinc/63/13/20/868631320.db2.gz NQKUNKGFKOWPPT-INIZCTEOSA-N 1 0 396.453 3.809 20 30 GHEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000133406619 882220100 /nfs/dbraw/zinc/22/01/00/882220100.db2.gz ZLNVIZUZLQVSLH-KRWDZBQOSA-N 1 0 396.453 3.811 20 30 GHEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669815373 868803303 /nfs/dbraw/zinc/80/33/03/868803303.db2.gz KNRNOJBAMGSCAB-IEBWSBKVSA-N 1 0 383.540 3.751 20 30 GHEDRO C#CCN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)C1CCCCC1 ZINC000744817198 869083801 /nfs/dbraw/zinc/08/38/01/869083801.db2.gz GHXCOOPEIRZBAY-JOCHJYFZSA-N 1 0 383.536 3.810 20 30 GHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000550827062 882292046 /nfs/dbraw/zinc/29/20/46/882292046.db2.gz MQNBAMQDLINAAF-UHFFFAOYSA-N 1 0 399.560 3.774 20 30 GHEDRO CCN(CC)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccsc1 ZINC000443106388 869425266 /nfs/dbraw/zinc/42/52/66/869425266.db2.gz IPBSWRHSRVUWTI-INIZCTEOSA-N 1 0 397.953 3.635 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000609098064 869490114 /nfs/dbraw/zinc/49/01/14/869490114.db2.gz BSYRROJAWXLOKM-UXHICEINSA-N 1 0 394.544 3.542 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]C3(c4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000539650625 869522876 /nfs/dbraw/zinc/52/28/76/869522876.db2.gz OQKCWHPXTZRTIR-UHFFFAOYSA-N 1 0 375.472 3.530 20 30 GHEDRO CC[C@@H](C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000446300439 869673317 /nfs/dbraw/zinc/67/33/17/869673317.db2.gz MXXIAZZJHANTJB-RHSMWYFYSA-N 1 0 384.446 3.608 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000539727957 869680136 /nfs/dbraw/zinc/68/01/36/869680136.db2.gz GEYWZBJTPIZYMU-OAQYLSRUSA-N 1 0 398.551 3.921 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000524876045 869707288 /nfs/dbraw/zinc/70/72/88/869707288.db2.gz BXHJUONRAQFINQ-LJQANCHMSA-N 1 0 394.515 3.997 20 30 GHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000524934118 869776717 /nfs/dbraw/zinc/77/67/17/869776717.db2.gz KXCKUPPVUJBAFC-OALUTQOASA-N 1 0 376.504 3.925 20 30 GHEDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000441014778 869794392 /nfs/dbraw/zinc/79/43/92/869794392.db2.gz JQZSTJPNLJAQGN-AUUYWEPGSA-N 1 0 395.528 3.761 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000745835221 869838114 /nfs/dbraw/zinc/83/81/14/869838114.db2.gz YCARIGUIKMPUDF-YJBOKZPZSA-N 1 0 382.533 3.911 20 30 GHEDRO C=CC[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831238 869867769 /nfs/dbraw/zinc/86/77/69/869867769.db2.gz DIOPRRIKNDCXKL-LJQANCHMSA-N 1 0 399.502 3.656 20 30 GHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000525022298 869902507 /nfs/dbraw/zinc/90/25/07/869902507.db2.gz SPFGLVNCZBGFGS-HTAPYJJXSA-N 1 0 377.488 3.957 20 30 GHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(Cc4ccccc4)CC3)C2)c(F)c1 ZINC000525182615 870124095 /nfs/dbraw/zinc/12/40/95/870124095.db2.gz CCZSOPQFXXLNDD-QFIPXVFZSA-N 1 0 392.522 3.920 20 30 GHEDRO C=CCC[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000446653589 870149634 /nfs/dbraw/zinc/14/96/34/870149634.db2.gz NJKZSFQUXPIJDG-GOSISDBHSA-N 1 0 399.457 3.734 20 30 GHEDRO CCC[C@@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001192514923 870446815 /nfs/dbraw/zinc/44/68/15/870446815.db2.gz JPMNGMZXHHTZLX-DHIUTWEWSA-N 1 0 391.515 3.759 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000538810679 870674593 /nfs/dbraw/zinc/67/45/93/870674593.db2.gz YQAYWQAPZFXGJD-FCHUYYIVSA-N 1 0 380.513 3.844 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc1C ZINC000775549739 870703874 /nfs/dbraw/zinc/70/38/74/870703874.db2.gz RDFCFACILCGEQU-OAQYLSRUSA-N 1 0 381.524 3.661 20 30 GHEDRO C#CCNC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001192790971 870705732 /nfs/dbraw/zinc/70/57/32/870705732.db2.gz DQQQVUCEOYPRDN-SFHVURJKSA-N 1 0 379.262 3.755 20 30 GHEDRO Cc1ncn(-c2cc(Br)cc(Cl)c2C#N)c1CSCC[NH3+] ZINC001168790377 870743517 /nfs/dbraw/zinc/74/35/17/870743517.db2.gz IPIJCQNEXQMMPV-UHFFFAOYSA-N 1 0 385.718 3.660 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(F)cc1OCC#N ZINC000766452117 870793396 /nfs/dbraw/zinc/79/33/96/870793396.db2.gz KVGCKKCBOLUFHB-DLBZAZTESA-N 1 0 396.466 3.855 20 30 GHEDRO C#CCN1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000775559437 870809675 /nfs/dbraw/zinc/80/96/75/870809675.db2.gz FIKNWFNWNGMDPB-PKTZIBPZSA-N 1 0 397.563 3.502 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Cc2cccnc2)CC1)C(C)C ZINC000538915436 870873450 /nfs/dbraw/zinc/87/34/50/870873450.db2.gz MBEAPHWOEYRTLU-JOCHJYFZSA-N 1 0 384.568 3.744 20 30 GHEDRO [NH3+][C@H]1CCc2nn(-c3ccc(C#Cc4ccc(Br)cc4)cc3)cc2C1 ZINC001168821648 870874990 /nfs/dbraw/zinc/87/49/90/870874990.db2.gz RJMNWFPFQFPOQC-IBGZPJMESA-N 1 0 392.300 3.851 20 30 GHEDRO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168828815 870883855 /nfs/dbraw/zinc/88/38/55/870883855.db2.gz KAXFNWTYAQQITD-UWJYYQICSA-N 1 0 398.551 3.510 20 30 GHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001193104807 870885939 /nfs/dbraw/zinc/88/59/39/870885939.db2.gz TZHLPESUMMJGHU-IEBWSBKVSA-N 1 0 390.405 3.806 20 30 GHEDRO Cc1ccc(OC(F)F)c(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000793832357 882453193 /nfs/dbraw/zinc/45/31/93/882453193.db2.gz JWBMUXMEYFCCNM-UHFFFAOYSA-N 1 0 376.403 3.984 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Cc3cccnc3)CC2)cc1Cl ZINC000538944067 870952038 /nfs/dbraw/zinc/95/20/38/870952038.db2.gz SYGPZWDMXYDYNE-UHFFFAOYSA-N 1 0 382.895 3.890 20 30 GHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000538954109 870968198 /nfs/dbraw/zinc/96/81/98/870968198.db2.gz OZNLIEAAPWCXIB-OAHLLOKOSA-N 1 0 384.307 3.599 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)c1C#N ZINC000540323053 871014895 /nfs/dbraw/zinc/01/48/95/871014895.db2.gz ZYIOOEFQLBLYIL-QGZVFWFLSA-N 1 0 388.471 3.909 20 30 GHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000461801625 871027869 /nfs/dbraw/zinc/02/78/69/871027869.db2.gz XUQSDZXKMDIHJC-QGZVFWFLSA-N 1 0 389.503 3.992 20 30 GHEDRO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000509635590 871046246 /nfs/dbraw/zinc/04/62/46/871046246.db2.gz BDSRXWFKBHNOLU-NRFANRHFSA-N 1 0 397.544 3.624 20 30 GHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c(C)o1 ZINC000093009515 882475831 /nfs/dbraw/zinc/47/58/31/882475831.db2.gz HJNHMXFKCASZJS-UHFFFAOYSA-N 1 0 394.519 3.641 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000506472388 871234218 /nfs/dbraw/zinc/23/42/18/871234218.db2.gz UGFBIHSBMVMGPA-SFTDATJTSA-N 1 0 382.552 3.520 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000793934881 882492084 /nfs/dbraw/zinc/49/20/84/882492084.db2.gz ZHQFYRVNVFAAFE-XGHQBKJUSA-N 1 0 397.544 3.984 20 30 GHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2)c1 ZINC000463248479 871262827 /nfs/dbraw/zinc/26/28/27/871262827.db2.gz ULZCVHLULMVNES-PAXLWEDBSA-N 1 0 386.492 3.991 20 30 GHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000595290592 871283219 /nfs/dbraw/zinc/28/32/19/871283219.db2.gz MIDACUTYOPUFGD-QFIPXVFZSA-N 1 0 377.488 3.580 20 30 GHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc(C#N)ccc2OC)CC1 ZINC000181630591 871291469 /nfs/dbraw/zinc/29/14/69/871291469.db2.gz YGHRZETXABVGTG-QGZVFWFLSA-N 1 0 396.510 3.699 20 30 GHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000540459792 871315489 /nfs/dbraw/zinc/31/54/89/871315489.db2.gz QAFMTGNMDCKMFU-JTHBVZDNSA-N 1 0 379.504 3.589 20 30 GHEDRO COc1cccc(C2([NH2+]CCCOc3cccc(C#N)c3)CCOCC2)c1F ZINC000447359017 871469358 /nfs/dbraw/zinc/46/93/58/871469358.db2.gz NGYYWCIOGVHAOB-UHFFFAOYSA-N 1 0 384.451 3.770 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000539184917 871475159 /nfs/dbraw/zinc/47/51/59/871475159.db2.gz JAMLZCBQLBBLFX-QAPCUYQASA-N 1 0 387.443 3.684 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc(CCC#N)cc2)CC1 ZINC001194167706 871522916 /nfs/dbraw/zinc/52/29/16/871522916.db2.gz VUTSWRSRHVJTJR-UHFFFAOYSA-N 1 0 389.565 3.562 20 30 GHEDRO CC(C)OC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000181831678 871526290 /nfs/dbraw/zinc/52/62/90/871526290.db2.gz YHTHSMWBAQZSSN-FQEVSTJZSA-N 1 0 379.460 3.559 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539224685 871540270 /nfs/dbraw/zinc/54/02/70/871540270.db2.gz HNVSFJBKKGKIPG-QGZVFWFLSA-N 1 0 392.459 3.722 20 30 GHEDRO C=CC[C@@H](CO)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000539226718 871543122 /nfs/dbraw/zinc/54/31/22/871543122.db2.gz VUTMOZSUHDSBSL-OAHLLOKOSA-N 1 0 378.314 3.526 20 30 GHEDRO CSc1ncc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001194339533 871656174 /nfs/dbraw/zinc/65/61/74/871656174.db2.gz SUSPRGPTKWJCIO-MXVIHJGJSA-N 1 0 394.544 3.896 20 30 GHEDRO COc1cccc(OCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181980769 871686882 /nfs/dbraw/zinc/68/68/82/871686882.db2.gz WXFPPJRXTHVMMC-UHFFFAOYSA-N 1 0 379.504 3.590 20 30 GHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000468967280 871721039 /nfs/dbraw/zinc/72/10/39/871721039.db2.gz LEMPJTXTIGEJGV-UONOGXRCSA-N 1 0 381.314 3.697 20 30 GHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1C ZINC000076032466 882542193 /nfs/dbraw/zinc/54/21/93/882542193.db2.gz LNWUEOHBIYXHFY-OAQYLSRUSA-N 1 0 382.552 3.500 20 30 GHEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528995 871761252 /nfs/dbraw/zinc/76/12/52/871761252.db2.gz KMVLTPGIKRTIMV-MSOLQXFVSA-N 1 0 385.493 3.670 20 30 GHEDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000447546185 871819553 /nfs/dbraw/zinc/81/95/53/871819553.db2.gz ZRKGIMGNQTUMBS-VXKWHMMOSA-N 1 0 377.488 3.708 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2cscn2)c1 ZINC000463485873 871867950 /nfs/dbraw/zinc/86/79/50/871867950.db2.gz WKUCHBGTOITKKC-UHFFFAOYSA-N 1 0 390.512 3.886 20 30 GHEDRO CCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccccc1CC ZINC000022686311 871908480 /nfs/dbraw/zinc/90/84/80/871908480.db2.gz AOYWJYBDGWSJAW-UHFFFAOYSA-O 1 0 392.342 3.847 20 30 GHEDRO CCCC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000182142859 871923442 /nfs/dbraw/zinc/92/34/42/871923442.db2.gz JKWXWXODAYERFX-NRFANRHFSA-N 1 0 386.517 3.862 20 30 GHEDRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618822344 872008209 /nfs/dbraw/zinc/00/82/09/872008209.db2.gz RSQSQBIDBMXSQO-FHZYATBESA-N 1 0 388.515 3.898 20 30 GHEDRO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+]2CCCC2)cc1 ZINC000618809366 872015821 /nfs/dbraw/zinc/01/58/21/872015821.db2.gz IPJSPOPEVRJALX-DHIUTWEWSA-N 1 0 388.515 3.990 20 30 GHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000618809282 872015963 /nfs/dbraw/zinc/01/59/63/872015963.db2.gz CWXYEENFRADYFL-DYESRHJHSA-N 1 0 394.544 3.818 20 30 GHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000477858972 872031178 /nfs/dbraw/zinc/03/11/78/872031178.db2.gz LDTAIPBLZINZKF-NHCUHLMSSA-N 1 0 383.536 3.830 20 30 GHEDRO COc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1OCCCC#N ZINC000093388091 872139210 /nfs/dbraw/zinc/13/92/10/872139210.db2.gz RWYZIQONDFWMPQ-NRFANRHFSA-N 1 0 380.488 3.860 20 30 GHEDRO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001195155761 872220409 /nfs/dbraw/zinc/22/04/09/872220409.db2.gz QLPJAMXIXXVDQH-REWPJTCUSA-N 1 0 386.495 3.944 20 30 GHEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000526303720 872222312 /nfs/dbraw/zinc/22/23/12/872222312.db2.gz MDSUIVZJVILFKF-GFCCVEGCSA-N 1 0 388.924 3.985 20 30 GHEDRO CON=Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794145701 882591047 /nfs/dbraw/zinc/59/10/47/882591047.db2.gz BOYDTJSZTFHPDC-NRFANRHFSA-N 1 0 379.504 3.699 20 30 GHEDRO COc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)cc1 ZINC000022791396 872309657 /nfs/dbraw/zinc/30/96/57/872309657.db2.gz XHXMGJLJVNXIND-UHFFFAOYSA-O 1 0 391.516 3.754 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccccc3)C3CCOCC3)CC2)nc1 ZINC000794171375 882603354 /nfs/dbraw/zinc/60/33/54/882603354.db2.gz YWCGTPDNSCAXAZ-HSZRJFAPSA-N 1 0 376.504 3.680 20 30 GHEDRO COCCCC[N@H+](Cc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000619154009 872360165 /nfs/dbraw/zinc/36/01/65/872360165.db2.gz NOGHPXMOMOFGNQ-HSZRJFAPSA-N 1 0 391.515 3.982 20 30 GHEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCS2 ZINC000526966216 872373173 /nfs/dbraw/zinc/37/31/73/872373173.db2.gz LGKDYZLOQJSYJY-VQTJNVASSA-N 1 0 393.512 3.889 20 30 GHEDRO C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)c1cccc(C#N)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001195375756 872378070 /nfs/dbraw/zinc/37/80/70/872378070.db2.gz CHEXDXBMXGECIA-YLJYHZDGSA-N 1 0 399.535 3.703 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000526970931 872380411 /nfs/dbraw/zinc/38/04/11/872380411.db2.gz XHBXSEBCLJNZLX-UHFFFAOYSA-N 1 0 392.894 3.505 20 30 GHEDRO COCCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(C)c1 ZINC000022792653 872389174 /nfs/dbraw/zinc/38/91/74/872389174.db2.gz NZJVIOIGBLBGBC-UHFFFAOYSA-O 1 0 398.335 3.764 20 30 GHEDRO CCCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1cccc(C)c1 ZINC000022803979 872399700 /nfs/dbraw/zinc/39/97/00/872399700.db2.gz PMLBAZRJTYYRFP-UHFFFAOYSA-O 1 0 392.342 3.983 20 30 GHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)[C@](C)(C#N)CC)cc1Cl ZINC000552387778 872586194 /nfs/dbraw/zinc/58/61/94/872586194.db2.gz ZCQDKXLHOMEGLC-FQEVSTJZSA-N 1 0 392.931 3.680 20 30 GHEDRO Cc1ccc(F)cc1NC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001195935372 872765186 /nfs/dbraw/zinc/76/51/86/872765186.db2.gz WXOLVFSLBOCXHI-UHFFFAOYSA-N 1 0 382.508 3.957 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC[C@H]1CCCO1 ZINC000527212977 872815100 /nfs/dbraw/zinc/81/51/00/872815100.db2.gz WCBYLQCHBWDJTJ-HUUCEWRRSA-N 1 0 375.538 3.717 20 30 GHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC[C@@H]1CCCO1 ZINC000527212975 872815278 /nfs/dbraw/zinc/81/52/78/872815278.db2.gz WCBYLQCHBWDJTJ-CABCVRRESA-N 1 0 375.538 3.717 20 30 GHEDRO N#Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000527235720 872850064 /nfs/dbraw/zinc/85/00/64/872850064.db2.gz DAFZWFXAKSVDEI-XMMPIXPASA-N 1 0 388.515 3.756 20 30 GHEDRO N#Cc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000619754869 872964774 /nfs/dbraw/zinc/96/47/74/872964774.db2.gz NJUOZYSSOJWJKI-UHFFFAOYSA-N 1 0 382.895 3.807 20 30 GHEDRO CC(C)(C)[C@H]([NH2+]CN1CC(=O)N(Cc2ccccc2C#N)C1=O)c1ccccc1 ZINC000102390016 872989988 /nfs/dbraw/zinc/98/99/88/872989988.db2.gz DRCKKDLCCGFOFQ-OAQYLSRUSA-N 1 0 390.487 3.657 20 30 GHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000619784474 872997990 /nfs/dbraw/zinc/99/79/90/872997990.db2.gz OWRHPMSGRSBJHY-AEFFLSMTSA-N 1 0 382.426 3.547 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001196312744 873006567 /nfs/dbraw/zinc/00/65/67/873006567.db2.gz FNKWHLHQSBDXMX-UXHICEINSA-N 1 0 376.529 3.709 20 30 GHEDRO N#Cc1ccccc1NC(=S)N1CCCC2(C[NH+](Cc3ccccc3)C2)C1 ZINC001196314540 873008033 /nfs/dbraw/zinc/00/80/33/873008033.db2.gz WVJTXBVXECQEGX-UHFFFAOYSA-N 1 0 376.529 3.853 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000595589271 873043586 /nfs/dbraw/zinc/04/35/86/873043586.db2.gz WUAOGRRHQKLRIP-QHCPKHFHSA-N 1 0 376.500 3.883 20 30 GHEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cnn1-c1ccc(F)cc1 ZINC000182994663 873070934 /nfs/dbraw/zinc/07/09/34/873070934.db2.gz RYJUMSQFOVNZED-CVEARBPZSA-N 1 0 397.498 3.702 20 30 GHEDRO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000527385087 873094932 /nfs/dbraw/zinc/09/49/32/873094932.db2.gz MFOABIQEGDDKOQ-IRXDYDNUSA-N 1 0 379.426 3.836 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC001196479256 873125537 /nfs/dbraw/zinc/12/55/37/873125537.db2.gz LNYVCBWUHDYXLF-SFTDATJTSA-N 1 0 388.895 3.947 20 30 GHEDRO N#Cc1ncccc1NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000460407711 873219538 /nfs/dbraw/zinc/21/95/38/873219538.db2.gz AGKOXGUGYWYUDI-UHFFFAOYSA-N 1 0 383.499 3.888 20 30 GHEDRO C#CCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000743152523 873234384 /nfs/dbraw/zinc/23/43/84/873234384.db2.gz YBYXEBMOHPXTFG-OXQOHEQNSA-N 1 0 383.517 3.965 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000768354071 873251666 /nfs/dbraw/zinc/25/16/66/873251666.db2.gz WGYWJCMPNYVSJZ-UHFFFAOYSA-N 1 0 386.540 3.773 20 30 GHEDRO CCC1([NH+]2CCCC2)CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC001196728002 873323651 /nfs/dbraw/zinc/32/36/51/873323651.db2.gz QRPHBRIBCUSFEG-LRZVDXDASA-N 1 0 388.600 3.646 20 30 GHEDRO CN(C)C[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC001196737480 873344383 /nfs/dbraw/zinc/34/43/83/873344383.db2.gz UVKMCPOIWUDSER-MOPGFXCFSA-N 1 0 378.303 3.791 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CC(C)(C)N(O)C(C)(C)C3)C2)CC1 ZINC001169993508 873361620 /nfs/dbraw/zinc/36/16/20/873361620.db2.gz RHMZMVHFLUXNLV-UHFFFAOYSA-N 1 0 393.572 3.898 20 30 GHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000768691173 873531141 /nfs/dbraw/zinc/53/11/41/873531141.db2.gz QSDFINJCKRFTEN-HKUYNNGSSA-N 1 0 390.524 3.756 20 30 GHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858021004 882738326 /nfs/dbraw/zinc/73/83/26/882738326.db2.gz RWBOOTHLGKNZLK-NRFANRHFSA-N 1 0 390.487 3.703 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CCOCC2)cc1 ZINC000527810712 873595947 /nfs/dbraw/zinc/59/59/47/873595947.db2.gz JTFZCVJJHMXYKE-UHFFFAOYSA-N 1 0 376.435 3.679 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cnc(-c4ccncc4)s3)CCOCC2)cc1 ZINC000527813129 873601344 /nfs/dbraw/zinc/60/13/44/873601344.db2.gz VVYDXAOXVHZIBS-UHFFFAOYSA-N 1 0 376.485 3.872 20 30 GHEDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)[C@H]1OC ZINC001169998641 873792778 /nfs/dbraw/zinc/79/27/78/873792778.db2.gz DXLBJTPKFAFCIM-QIZIZJAASA-N 1 0 389.565 3.865 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528032431 873897088 /nfs/dbraw/zinc/89/70/88/873897088.db2.gz AGZQFMXWTADFHU-VXKWHMMOSA-N 1 0 379.479 3.781 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1 ZINC001197701597 873989440 /nfs/dbraw/zinc/98/94/40/873989440.db2.gz LSNIJRRGMRKVCC-SFHVURJKSA-N 1 0 393.556 3.900 20 30 GHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000448825604 874025939 /nfs/dbraw/zinc/02/59/39/874025939.db2.gz UQNLZPHPRSDWSX-JKIFEVAISA-N 1 0 390.325 3.798 20 30 GHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc(OC)c1O ZINC000769425375 874047884 /nfs/dbraw/zinc/04/78/84/874047884.db2.gz RFLGOSCFOGAPNX-YJBOKZPZSA-N 1 0 390.524 3.864 20 30 GHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000541704599 874145651 /nfs/dbraw/zinc/14/56/51/874145651.db2.gz JMGWBRMFFZCDKW-CYBMUJFWSA-N 1 0 398.429 3.693 20 30 GHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)s1 ZINC000026251012 874259178 /nfs/dbraw/zinc/25/91/78/874259178.db2.gz MCQMZTBAXSMDBQ-UHFFFAOYSA-N 1 0 378.295 3.843 20 30 GHEDRO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC001198210781 874275820 /nfs/dbraw/zinc/27/58/20/874275820.db2.gz MLRUAQJIXFTGNJ-UHFFFAOYSA-N 1 0 388.515 3.977 20 30 GHEDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCOCC1)c1ccccc1 ZINC000541790084 874279533 /nfs/dbraw/zinc/27/95/33/874279533.db2.gz RPGBYUMTSOCKKX-MRXNPFEDSA-N 1 0 397.906 3.841 20 30 GHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429495831 874323062 /nfs/dbraw/zinc/32/30/62/874323062.db2.gz WVHLNXPAYLBJRZ-IAGOWNOFSA-N 1 0 375.538 3.764 20 30 GHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000769964206 874367865 /nfs/dbraw/zinc/36/78/65/874367865.db2.gz QDQWLRDLCBAUFV-KRWDZBQOSA-N 1 0 391.471 3.534 20 30 GHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(C#N)cc1F ZINC000769969293 874368755 /nfs/dbraw/zinc/36/87/55/874368755.db2.gz QMOQHQYZFHSBRO-OAHLLOKOSA-N 1 0 379.435 3.642 20 30 GHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000464747159 874406570 /nfs/dbraw/zinc/40/65/70/874406570.db2.gz LRJOBIXJCVJNSE-JOCHJYFZSA-N 1 0 395.528 3.826 20 30 GHEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541881968 874461910 /nfs/dbraw/zinc/46/19/10/874461910.db2.gz APOVQUDDZDGDBU-MGPUTAFESA-N 1 0 378.432 3.621 20 30 GHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCS1 ZINC000464791020 874518922 /nfs/dbraw/zinc/51/89/22/874518922.db2.gz KNTRYZNNELPZQH-KBPBESRZSA-N 1 0 377.579 3.901 20 30 GHEDRO CN(C)c1ccc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC001198786292 874607628 /nfs/dbraw/zinc/60/76/28/874607628.db2.gz NITQHIOGWPKSDI-UHFFFAOYSA-N 1 0 393.560 3.575 20 30 GHEDRO C[C@H](C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449228576 874618241 /nfs/dbraw/zinc/61/82/41/874618241.db2.gz ZGCJEEMWNQFQKK-OAHLLOKOSA-N 1 0 395.446 3.854 20 30 GHEDRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000770383952 874624909 /nfs/dbraw/zinc/62/49/09/874624909.db2.gz DLRVBGNIFAGKIX-IEBWSBKVSA-N 1 0 386.540 3.772 20 30 GHEDRO C=CCc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc(OC)c1O ZINC000770384917 874626638 /nfs/dbraw/zinc/62/66/38/874626638.db2.gz GNNCVKGCLVLDOA-NVXWUHKLSA-N 1 0 390.524 3.864 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000770808808 874878226 /nfs/dbraw/zinc/87/82/26/874878226.db2.gz WZIXLWNGBHSLGP-HNNXBMFYSA-N 1 0 378.900 3.825 20 30 GHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1C#N ZINC000475727922 882881131 /nfs/dbraw/zinc/88/11/31/882881131.db2.gz QSRCYCSZOVFRKG-VYDXJSESSA-N 1 0 382.508 3.923 20 30 GHEDRO C=C[C@H](CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000134436311 882888227 /nfs/dbraw/zinc/88/82/27/882888227.db2.gz SBOWIIZUUFMPNP-LJQANCHMSA-N 1 0 391.515 3.811 20 30 GHEDRO N#Cc1ccc(C2([NH2+]C[C@H](O)Cc3ccc4ccccc4c3)CCOCC2)cc1 ZINC000528777565 875049966 /nfs/dbraw/zinc/04/99/66/875049966.db2.gz CCTFOXQLAACYPK-XMMPIXPASA-N 1 0 386.495 3.910 20 30 GHEDRO C=CCOc1cccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c1 ZINC001199688303 875128765 /nfs/dbraw/zinc/12/87/65/875128765.db2.gz AEGWKAPLXTVCIP-UHFFFAOYSA-N 1 0 381.472 3.818 20 30 GHEDRO [NH3+]CC[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000449729504 875296400 /nfs/dbraw/zinc/29/64/00/875296400.db2.gz ZYJVFJFQYCKLDY-VIFPVBQESA-N 1 0 382.226 3.734 20 30 GHEDRO C#CCOc1ccccc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000776093529 875330315 /nfs/dbraw/zinc/33/03/15/875330315.db2.gz SRHSOXDVMMDGAQ-IBGZPJMESA-N 1 0 377.488 3.827 20 30 GHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)c2)nc1 ZINC001201021299 875441856 /nfs/dbraw/zinc/44/18/56/875441856.db2.gz JHTCTTPRDAGEAJ-IBGZPJMESA-N 1 0 391.475 3.838 20 30 GHEDRO C=CCC1(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCCC1 ZINC000449820536 875479703 /nfs/dbraw/zinc/47/97/03/875479703.db2.gz WBLRJOWLHXNLFE-OAQYLSRUSA-N 1 0 396.579 3.579 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C#N)cc1Br ZINC001201131975 875518699 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CCc1cccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2cccc(C)c2)c1 ZINC000151920199 876122563 /nfs/dbraw/zinc/12/25/63/876122563.db2.gz IOHLSEGZRSMOFJ-UHFFFAOYSA-O 1 0 379.509 3.629 20 30 GHEDRO C=CCOc1cccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492058287 876148697 /nfs/dbraw/zinc/14/86/97/876148697.db2.gz DHLHKXXDXHWHCE-GOSISDBHSA-N 1 0 380.257 3.976 20 30 GHEDRO C[C@H](Cc1ccccc1)NC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000786062250 876407787 /nfs/dbraw/zinc/40/77/87/876407787.db2.gz RMBOESMQLXGAQL-LJQANCHMSA-N 1 0 392.572 3.572 20 30 GHEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000858333360 883033834 /nfs/dbraw/zinc/03/38/34/883033834.db2.gz DGGQXYQLFACSBT-HXUWFJFHSA-N 1 0 377.488 3.740 20 30 GHEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000858335770 883033996 /nfs/dbraw/zinc/03/39/96/883033996.db2.gz GRQMEYNZSQZWHN-LBPRGKRZSA-N 1 0 393.237 3.745 20 30 GHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492312171 876626616 /nfs/dbraw/zinc/62/66/16/876626616.db2.gz WSUFIGBMHZZOLN-UHFFFAOYSA-N 1 0 384.501 3.571 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C#N)c1Br ZINC000450638885 876719413 /nfs/dbraw/zinc/71/94/13/876719413.db2.gz UQLMYYJCMGGNEG-KSSFIOAISA-N 1 0 398.304 3.571 20 30 GHEDRO C=CCCC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCCC1 ZINC000850351415 876843095 /nfs/dbraw/zinc/84/30/95/876843095.db2.gz BHCRHGKEUZWROS-INIZCTEOSA-N 1 0 399.988 3.821 20 30 GHEDRO C=CCc1cc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)cc(OC)c1O ZINC000850404062 876884084 /nfs/dbraw/zinc/88/40/84/876884084.db2.gz UMKWZCDLZVPILD-UHFFFAOYSA-N 1 0 388.508 3.618 20 30 GHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786892420 877010776 /nfs/dbraw/zinc/01/07/76/877010776.db2.gz RKYJKDBVJUUQCY-APWZRJJASA-N 1 0 390.549 3.601 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000786886228 877039662 /nfs/dbraw/zinc/03/96/62/877039662.db2.gz BPPAJRRTBSAGBA-OAQYLSRUSA-N 1 0 397.519 3.500 20 30 GHEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000850576930 877047562 /nfs/dbraw/zinc/04/75/62/877047562.db2.gz SXUCXRKJRLBZRN-ZPMCFJSWSA-N 1 0 377.488 3.981 20 30 GHEDRO COCC1(C#N)CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000450931615 877066796 /nfs/dbraw/zinc/06/67/96/877066796.db2.gz QBBFJOLJUCBRCJ-UHFFFAOYSA-N 1 0 379.298 3.664 20 30 GHEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787029468 877105538 /nfs/dbraw/zinc/10/55/38/877105538.db2.gz XKYRHZMQPUHOTC-XIKOKIGWSA-N 1 0 376.428 3.893 20 30 GHEDRO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H](C)C2CC2)cc1 ZINC000064641365 877192079 /nfs/dbraw/zinc/19/20/79/877192079.db2.gz BJVGNLHFSXACLJ-DYESRHJHSA-N 1 0 380.488 3.607 20 30 GHEDRO N#CCn1c(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cc2ccccc21 ZINC000772695754 877205271 /nfs/dbraw/zinc/20/52/71/877205271.db2.gz BMWDTUYDLBQNMB-UHFFFAOYSA-N 1 0 377.444 3.827 20 30 GHEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[NH2+]C23CCC3)cc1OCC 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394.359 3.895 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460943760 878866293 /nfs/dbraw/zinc/86/62/93/878866293.db2.gz AMQMPDNPUJKGRV-SFHVURJKSA-N 1 0 376.508 3.560 20 30 GHEDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000789365394 878903177 /nfs/dbraw/zinc/90/31/77/878903177.db2.gz QBIQHGRNXKEOIA-KRWDZBQOSA-N 1 0 379.460 3.977 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000285708015 912400309 /nfs/dbraw/zinc/40/03/09/912400309.db2.gz PKQJGGDMVBDMBD-UHFFFAOYSA-N 1 0 375.520 3.702 20 30 GHEDRO C#CCCCOc1cccnc1N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000853421410 879013708 /nfs/dbraw/zinc/01/37/08/879013708.db2.gz YPZNCGVTHXAYMF-UHFFFAOYSA-N 1 0 398.595 3.506 20 30 GHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3c(Cl)ccc4cccnc43)C2=O)cc1 ZINC000616996488 879302251 /nfs/dbraw/zinc/30/22/51/879302251.db2.gz UMTVKSDXANVRGC-HXUWFJFHSA-N 1 0 390.874 3.651 20 30 GHEDRO C=CCN1C(=O)N(C2CCC([NH+]3CCCCC3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000761573488 879315532 /nfs/dbraw/zinc/31/55/32/879315532.db2.gz CRDAPWHSXKJKLO-LZBANZJXSA-N 1 0 395.547 3.845 20 30 GHEDRO N#Cc1ccc(CN(C(=O)C2(c3ccc(O)cc3)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001183343086 912459463 /nfs/dbraw/zinc/45/94/63/912459463.db2.gz GBTHQWZCGCXLAL-MEMLXQNLSA-N 1 0 389.499 3.594 20 30 GHEDRO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452452597 879465796 /nfs/dbraw/zinc/46/57/96/879465796.db2.gz OQGZPTKVXZCKNU-OAQYLSRUSA-N 1 0 376.504 3.649 20 30 GHEDRO C[NH+](C)[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000790370429 879673909 /nfs/dbraw/zinc/67/39/09/879673909.db2.gz AGPOWKJQHQEKEG-GOSISDBHSA-N 1 0 378.369 3.615 20 30 GHEDRO C=CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H](C)COC ZINC000667113091 879768188 /nfs/dbraw/zinc/76/81/88/879768188.db2.gz CATXKSCMBFPCFW-PZJWPPBQSA-N 1 0 385.552 3.521 20 30 GHEDRO C=CC[C@@]1(C(=O)NC2CC[NH+](CC(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790516850 879787583 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XWOVFJWHDWOMCI-LJQANCHMSA-N 1 0 378.520 3.749 20 30 GHEDRO CC(C)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000112654431 880064237 /nfs/dbraw/zinc/06/42/37/880064237.db2.gz VYNDSRCVIUDPOH-OAQYLSRUSA-N 1 0 383.467 3.718 20 30 GHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1=S ZINC000795700198 912537718 /nfs/dbraw/zinc/53/77/18/912537718.db2.gz HWAXYHWRUWRPTQ-MJGOQNOKSA-N 1 0 398.580 3.568 20 30 GHEDRO Cc1cnc2c(N(CC[NH3+])c3cc(Cl)cnc3C#N)nc3ccc(C)cc3n12 ZINC001170149443 880236088 /nfs/dbraw/zinc/23/60/88/880236088.db2.gz OJWYGWDERFZQBB-UHFFFAOYSA-N 1 0 391.866 3.516 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(S[C@H](C)CC)cc2C)CC1 ZINC000173274638 880294775 /nfs/dbraw/zinc/29/47/75/880294775.db2.gz BIYDYZRXLOQYKU-MRXNPFEDSA-N 1 0 389.565 3.591 20 30 GHEDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000855159650 880311730 /nfs/dbraw/zinc/31/17/30/880311730.db2.gz GVTYYSOAILGINW-LJQANCHMSA-N 1 0 378.520 3.816 20 30 GHEDRO CCc1cccc2c(C3CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC3)c[nH]c21 ZINC000531841596 880586350 /nfs/dbraw/zinc/58/63/50/880586350.db2.gz BARDVVFDZGEAEF-KRWDZBQOSA-N 1 0 380.536 3.918 20 30 GHEDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000776829634 880725739 /nfs/dbraw/zinc/72/57/39/880725739.db2.gz WUXKUMUUOCLJDK-BBRMVZONSA-N 1 0 381.423 3.506 20 30 GHEDRO C=CCC[C@H]([NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)C1CC1 ZINC000453319093 880790612 /nfs/dbraw/zinc/79/06/12/880790612.db2.gz CQBMPPRNWPPDCX-JTSKRJEESA-N 1 0 390.593 3.950 20 30 GHEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000186358088 880865349 /nfs/dbraw/zinc/86/53/49/880865349.db2.gz UTFWELZZNLVGAI-MOPGFXCFSA-N 1 0 377.916 3.770 20 30 GHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000453415745 880880942 /nfs/dbraw/zinc/88/09/42/880880942.db2.gz SVCVJWNPPFBIJG-UYAOXDASSA-N 1 0 387.572 3.797 20 30 GHEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)NCCc1ccccc1 ZINC000453416649 880882208 /nfs/dbraw/zinc/88/22/08/880882208.db2.gz UYISTQSNEPOICD-BJRAERQBSA-N 1 0 375.516 3.728 20 30 GHEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453440382 880902291 /nfs/dbraw/zinc/90/22/91/880902291.db2.gz MPMOYVFQUXFQOP-DYXWJJEUSA-N 1 0 395.551 3.805 20 30 GHEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000453435693 880940676 /nfs/dbraw/zinc/94/06/76/880940676.db2.gz GXZYMZVRYHYGTF-LEWJYISDSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000453460803 880960023 /nfs/dbraw/zinc/96/00/23/880960023.db2.gz DYMJCYUBWXSADJ-SFTDATJTSA-N 1 0 395.551 3.807 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000453467155 880976232 /nfs/dbraw/zinc/97/62/32/880976232.db2.gz QIOFYLDBVHUHBX-FPOVZHCZSA-N 1 0 395.551 3.807 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000113974276 881020634 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DMUVMGIQQKRRDY-HOTGVXAUSA-N 1 0 388.581 3.536 20 30 GHEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](n2cncn2)C1 ZINC000551086842 883264436 /nfs/dbraw/zinc/26/44/36/883264436.db2.gz YDBAVUKNILKDDO-PATRTNIUSA-N 1 0 379.508 3.859 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064390876 883271195 /nfs/dbraw/zinc/27/11/95/883271195.db2.gz VTQSMWBYADUKHO-SFTDATJTSA-N 1 0 381.907 3.906 20 30 GHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2)cc1 ZINC000609521670 883283462 /nfs/dbraw/zinc/28/34/62/883283462.db2.gz QRJNEUVTCPCPQS-FQEVSTJZSA-N 1 0 375.472 3.759 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000609520454 883294126 /nfs/dbraw/zinc/29/41/26/883294126.db2.gz MPOCLBOUSVUTGO-SFHLNBCPSA-N 1 0 383.536 3.971 20 30 GHEDRO CN(CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)CC(F)(F)F ZINC000609564540 883345606 /nfs/dbraw/zinc/34/56/06/883345606.db2.gz XPCBEPRABHFMKS-UHFFFAOYSA-N 1 0 377.410 3.721 20 30 GHEDRO C[NH+]1CCC(N(C(=O)CSCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000609566876 883348608 /nfs/dbraw/zinc/34/86/08/883348608.db2.gz TVLLSEIHNMPHFQ-UHFFFAOYSA-N 1 0 379.529 3.919 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1C ZINC000175168187 883351391 /nfs/dbraw/zinc/35/13/91/883351391.db2.gz ZEPRVKCREUUTTK-JOCHJYFZSA-N 1 0 382.552 3.500 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000804859590 883401894 /nfs/dbraw/zinc/40/18/94/883401894.db2.gz SFFPAQFAPWTXBF-ROUUACIJSA-N 1 0 389.858 3.883 20 30 GHEDRO COc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)CC2 ZINC000193707760 883442351 /nfs/dbraw/zinc/44/23/51/883442351.db2.gz YDHPBGHRDDJYHK-UHFFFAOYSA-N 1 0 391.515 3.660 20 30 GHEDRO CN(CCC(F)(F)F)[C@@H](CNC1=[NH+]CCCN1C)c1ccc(Cl)cc1 ZINC000263062209 883521466 /nfs/dbraw/zinc/52/14/66/883521466.db2.gz FPVUCTHVFRUFID-HNNXBMFYSA-N 1 0 376.854 3.546 20 30 GHEDRO CC[N@H+](CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CCC(F)(F)F ZINC000494779805 883548050 /nfs/dbraw/zinc/54/80/50/883548050.db2.gz MXJFCFVGCBYCDY-UHFFFAOYSA-N 1 0 396.335 3.973 20 30 GHEDRO CC(C)(C)c1csc(C2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)n1 ZINC000859109597 883594331 /nfs/dbraw/zinc/59/43/31/883594331.db2.gz QCCIWPZWWIHHOJ-SFHVURJKSA-N 1 0 399.560 3.932 20 30 GHEDRO COc1ccc(C[NH2+]C[C@H](C)N2CCc3ccccc3C2)cc1OCCCC#N ZINC000064613832 883760889 /nfs/dbraw/zinc/76/08/89/883760889.db2.gz RNDSWERJQJVWCU-IBGZPJMESA-N 1 0 393.531 3.914 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCC1CC1 ZINC000152625268 883794623 /nfs/dbraw/zinc/79/46/23/883794623.db2.gz RGTPGBSTBSUONF-UHFFFAOYSA-N 1 0 392.503 3.943 20 30 GHEDRO C=C[C@@H](CC)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001130169786 883800709 /nfs/dbraw/zinc/80/07/09/883800709.db2.gz YZIUDLJJVKMLLH-AWEZNQCLSA-N 1 0 382.346 3.988 20 30 GHEDRO C=CCN1CC(=O)N(CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1=O ZINC000761729824 883848770 /nfs/dbraw/zinc/84/87/70/883848770.db2.gz GBFYQAGUEHKICO-UHFFFAOYSA-N 1 0 377.488 3.529 20 30 GHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000194735023 883914138 /nfs/dbraw/zinc/91/41/38/883914138.db2.gz MWKYPTCOGDDFBF-IBGZPJMESA-N 1 0 380.488 3.512 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCSCC#N)CC[C@H]1C(F)(F)F ZINC000859604594 883927258 /nfs/dbraw/zinc/92/72/58/883927258.db2.gz JMHULFXTBFEBQV-ZIAGYGMSSA-N 1 0 395.491 3.658 20 30 GHEDRO Cc1ccc(Cl)cc1N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000026220713 884001537 /nfs/dbraw/zinc/00/15/37/884001537.db2.gz TXOGWRKGQVHYFL-UHFFFAOYSA-N 1 0 382.895 3.671 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805784245 884066416 /nfs/dbraw/zinc/06/64/16/884066416.db2.gz IQLJENQEGLEKRI-BJKOFHAPSA-N 1 0 389.543 3.785 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000805784033 884067584 /nfs/dbraw/zinc/06/75/84/884067584.db2.gz DWNNLXCAKBJOKW-XMMPIXPASA-N 1 0 389.543 3.847 20 30 GHEDRO N#Cc1cnn2cc(C[NH2+][C@@H](Cc3cccc(F)c3)c3cccc(F)c3)cnc12 ZINC000556213604 884135654 /nfs/dbraw/zinc/13/56/54/884135654.db2.gz HIHLQCOMAVFTQK-NRFANRHFSA-N 1 0 389.409 3.953 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859894483 884158962 /nfs/dbraw/zinc/15/89/62/884158962.db2.gz SOTBZRQBUUZRLW-PGRDOPGGSA-N 1 0 375.516 3.863 20 30 GHEDRO CN1CC[C@H]([NH2+]Cc2nc(C#N)cs2)C[C@H]1c1ccc(Br)cc1 ZINC000897625574 884197094 /nfs/dbraw/zinc/19/70/94/884197094.db2.gz GGZNCIVTDLINQP-HOCLYGCPSA-N 1 0 391.338 3.702 20 30 GHEDRO CC(C)(C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(O)cc1 ZINC001183779914 912809352 /nfs/dbraw/zinc/80/93/52/912809352.db2.gz HGDORUITGZDEKG-MEMLXQNLSA-N 1 0 391.515 3.840 20 30 GHEDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cn1 ZINC000130617400 884386285 /nfs/dbraw/zinc/38/62/85/884386285.db2.gz ZIVNUVSJYQFBLP-UHFFFAOYSA-N 1 0 390.447 3.753 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000860170645 884392991 /nfs/dbraw/zinc/39/29/91/884392991.db2.gz PYWKYZXVOOOQQB-JOCHJYFZSA-N 1 0 398.547 3.776 20 30 GHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccccc1C ZINC000556337029 884511173 /nfs/dbraw/zinc/51/11/73/884511173.db2.gz HLCWCHQQGKWQTB-UHFFFAOYSA-N 1 0 399.608 3.948 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C2([NH2+]Cc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000897963567 884529079 /nfs/dbraw/zinc/52/90/79/884529079.db2.gz GMNPYGPIGSNSMD-UHFFFAOYSA-N 1 0 390.915 3.876 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000806294928 884574732 /nfs/dbraw/zinc/57/47/32/884574732.db2.gz KNXLOYFLDGFVKR-NHCUHLMSSA-N 1 0 379.504 3.740 20 30 GHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(-c2ccccc2)n1 ZINC000898071426 884583988 /nfs/dbraw/zinc/58/39/88/884583988.db2.gz JXGJENUQODPNGM-KRWDZBQOSA-N 1 0 377.517 3.985 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCOC34CCOCC4)c2)c1 ZINC000898116746 884596279 /nfs/dbraw/zinc/59/62/79/884596279.db2.gz SPUNKYVXYHKRFA-JOCHJYFZSA-N 1 0 378.472 3.565 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)cc1 ZINC000898168883 884625227 /nfs/dbraw/zinc/62/52/27/884625227.db2.gz STGFOFUKSLJTEJ-IFXJQAMLSA-N 1 0 389.293 3.737 20 30 GHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[NH+]2CCCC2)c1 ZINC000102954517 884652592 /nfs/dbraw/zinc/65/25/92/884652592.db2.gz OLWNGAOJWFFSNU-FQEVSTJZSA-N 1 0 382.439 3.665 20 30 GHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)c(F)c1 ZINC000237712550 884805025 /nfs/dbraw/zinc/80/50/25/884805025.db2.gz ADVDLCHOHXTOPS-HNSSHINMSA-N 1 0 380.423 3.877 20 30 GHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H]1C ZINC000498555498 884824147 /nfs/dbraw/zinc/82/41/47/884824147.db2.gz RCCZXQVCADUOMT-ZWKOTPCHSA-N 1 0 377.488 3.692 20 30 GHEDRO C[NH+](C)C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000806595986 884838352 /nfs/dbraw/zinc/83/83/52/884838352.db2.gz ZGIYPJHKCMGMMJ-QGZVFWFLSA-N 1 0 376.888 3.940 20 30 GHEDRO Cn1nc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000860856956 885056523 /nfs/dbraw/zinc/05/65/23/885056523.db2.gz NUVDXDHDFCEFJZ-UHFFFAOYSA-N 1 0 388.471 3.536 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000248905124 885187324 /nfs/dbraw/zinc/18/73/24/885187324.db2.gz UTXDATRSMAIFDW-WZONZLPQSA-N 1 0 388.515 3.753 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807083703 885206831 /nfs/dbraw/zinc/20/68/31/885206831.db2.gz GGVDTTDOKNNDOX-NFBKMPQASA-N 1 0 375.516 3.742 20 30 GHEDRO COCC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)c(Cl)c1 ZINC000556514884 885211203 /nfs/dbraw/zinc/21/12/03/885211203.db2.gz IPBLAHQLCSZOJM-FUHWJXTLSA-N 1 0 386.323 3.715 20 30 GHEDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925463795 885412313 /nfs/dbraw/zinc/41/23/13/885412313.db2.gz QDEQSTOXWTYVNI-DLBZAZTESA-N 1 0 381.561 3.693 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000807465116 885460176 /nfs/dbraw/zinc/46/01/76/885460176.db2.gz DVVAJQOMFYXALK-YMPZKCBVSA-N 1 0 381.564 3.917 20 30 GHEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000807470295 885465802 /nfs/dbraw/zinc/46/58/02/885465802.db2.gz QCXJECIMFKNMDM-JOCHJYFZSA-N 1 0 381.495 3.534 20 30 GHEDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000067570038 885573245 /nfs/dbraw/zinc/57/32/45/885573245.db2.gz USFSAXORFJGOPF-RXVVDRJESA-N 1 0 376.504 3.831 20 30 GHEDRO CC(C)[C@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001131027953 885645215 /nfs/dbraw/zinc/64/52/15/885645215.db2.gz RZRBLXVSWNCZSY-WMZHIEFXSA-N 1 0 391.515 3.695 20 30 GHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807739820 885675216 /nfs/dbraw/zinc/67/52/16/885675216.db2.gz PJYGXXCXLNCEDU-OXQOHEQNSA-N 1 0 388.471 3.643 20 30 GHEDRO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2nccnc2C2CCC2)CC1 ZINC000807993878 885915445 /nfs/dbraw/zinc/91/54/45/885915445.db2.gz IAJGIVFLGJISOQ-UHFFFAOYSA-N 1 0 384.915 3.595 20 30 GHEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)nc1 ZINC000495484247 885932294 /nfs/dbraw/zinc/93/22/94/885932294.db2.gz GMRLINYHBNUJTH-FQEVSTJZSA-N 1 0 394.519 3.645 20 30 GHEDRO CC[NH+](CC)[C@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000762302928 885969272 /nfs/dbraw/zinc/96/92/72/885969272.db2.gz KVKDOOGIXTZNFZ-YADHBBJMSA-N 1 0 377.488 3.541 20 30 GHEDRO CC[NH+](CC)[C@@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000762302923 885969576 /nfs/dbraw/zinc/96/95/76/885969576.db2.gz KVKDOOGIXTZNFZ-FGZHOGPDSA-N 1 0 377.488 3.541 20 30 GHEDRO CN(C(=O)C(C)(C)c1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000861938828 886013101 /nfs/dbraw/zinc/01/31/01/886013101.db2.gz NLBFUEPSWGEHCG-UHFFFAOYSA-N 1 0 381.442 3.711 20 30 GHEDRO C=C1CC[NH+](CCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CC1 ZINC000532555899 886054116 /nfs/dbraw/zinc/05/41/16/886054116.db2.gz JUFKLHOIBGNLIJ-UHFFFAOYSA-N 1 0 393.487 3.928 20 30 GHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC000762478675 886269430 /nfs/dbraw/zinc/26/94/30/886269430.db2.gz CVUANBZONAUPMX-FUHWJXTLSA-N 1 0 390.524 3.995 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc(OC)c1O ZINC000762484897 886277525 /nfs/dbraw/zinc/27/75/25/886277525.db2.gz NYDALBYILSAZCM-MAUKXSAKSA-N 1 0 390.524 3.864 20 30 GHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCC(C)CC1 ZINC000487945475 886336878 /nfs/dbraw/zinc/33/68/78/886336878.db2.gz BHRWFGVLAVZXJG-ZDUSSCGKSA-N 1 0 379.302 3.563 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000056741064 886360095 /nfs/dbraw/zinc/36/00/95/886360095.db2.gz VYIHDNRZMCZXOM-LJQANCHMSA-N 1 0 398.551 3.744 20 30 GHEDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000808451935 886362472 /nfs/dbraw/zinc/36/24/72/886362472.db2.gz QRSBIRYACCHQJR-QAQDUYKDSA-N 1 0 387.524 3.988 20 30 GHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000808452952 886363485 /nfs/dbraw/zinc/36/34/85/886363485.db2.gz ACWWVJCSFPEBFU-UPVQGACJSA-N 1 0 386.451 3.721 20 30 GHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000808433925 886381489 /nfs/dbraw/zinc/38/14/89/886381489.db2.gz FBJTXEJRZWUDPH-QGZVFWFLSA-N 1 0 380.492 3.870 20 30 GHEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)C1 ZINC000862443474 886385418 /nfs/dbraw/zinc/38/54/18/886385418.db2.gz PJZNYEWRHWHUHF-IBGZPJMESA-N 1 0 392.499 3.948 20 30 GHEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c2)cc1 ZINC000155095218 886390052 /nfs/dbraw/zinc/39/00/52/886390052.db2.gz DARCTOOBBYQIQG-UHFFFAOYSA-N 1 0 383.455 3.659 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cc1 ZINC000862481821 886401076 /nfs/dbraw/zinc/40/10/76/886401076.db2.gz MDDOOWNHYJYHNA-SBUREZEXSA-N 1 0 376.456 3.977 20 30 GHEDRO CS[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H]1[NH+](C)C ZINC000495712430 886485222 /nfs/dbraw/zinc/48/52/22/886485222.db2.gz LAMNTJDUICHKTB-ICSRJNTNSA-N 1 0 397.569 3.827 20 30 GHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1cccs1 ZINC000487971543 886613395 /nfs/dbraw/zinc/61/33/95/886613395.db2.gz WLUSPRPXLYRQFU-AWEZNQCLSA-N 1 0 393.310 3.807 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000862794686 886618897 /nfs/dbraw/zinc/61/88/97/886618897.db2.gz GHJJGFXSRBXZIH-CQSZACIVSA-N 1 0 388.002 3.687 20 30 GHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000119203952 886797950 /nfs/dbraw/zinc/79/79/50/886797950.db2.gz IANLEYSISOCSMG-IBGZPJMESA-N 1 0 391.515 3.822 20 30 GHEDRO N#Cc1ccc([C@H](C(N)=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000153625856 886805077 /nfs/dbraw/zinc/80/50/77/886805077.db2.gz AOJYDXCPQAFNOO-LJQANCHMSA-N 1 0 385.389 3.893 20 30 GHEDRO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000532649579 886900310 /nfs/dbraw/zinc/90/03/10/886900310.db2.gz LCXFANQEMFHFOH-SIKLNZKXSA-N 1 0 390.531 3.872 20 30 GHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000670205784 887015087 /nfs/dbraw/zinc/01/50/87/887015087.db2.gz VDWWONAPXAIWMI-UHFFFAOYSA-N 1 0 396.564 3.795 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)CC1 ZINC000171719709 887053252 /nfs/dbraw/zinc/05/32/52/887053252.db2.gz KHGXYXKJGOQZSR-UHFFFAOYSA-N 1 0 392.425 3.580 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)CC1 ZINC000171721363 887055935 /nfs/dbraw/zinc/05/59/35/887055935.db2.gz SSZNATLBEWEXRW-UHFFFAOYSA-N 1 0 393.491 3.652 20 30 GHEDRO CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000863437622 887110518 /nfs/dbraw/zinc/11/05/18/887110518.db2.gz SJJNOSPPDVEMGX-HSZRJFAPSA-N 1 0 375.516 3.514 20 30 GHEDRO Cc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000863583461 887226884 /nfs/dbraw/zinc/22/68/84/887226884.db2.gz XPIJSBMSHLARHJ-QFIPXVFZSA-N 1 0 381.520 3.564 20 30 GHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC000487997912 887268968 /nfs/dbraw/zinc/26/89/68/887268968.db2.gz XAIDFWDLYXPZGW-QWHCGFSZSA-N 1 0 379.302 3.705 20 30 GHEDRO C[C@H](C#N)Oc1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)cc1 ZINC000119671699 887410654 /nfs/dbraw/zinc/41/06/54/887410654.db2.gz LTAUGXNNIJPKLX-GOSISDBHSA-N 1 0 379.504 3.794 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)cc1OC ZINC000809720622 887744026 /nfs/dbraw/zinc/74/40/26/887744026.db2.gz JWZPHAUULPLEEX-SFHVURJKSA-N 1 0 376.497 3.749 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670234338 887806328 /nfs/dbraw/zinc/80/63/28/887806328.db2.gz LPHQXRABBMUBCO-DLBZAZTESA-N 1 0 387.503 3.664 20 30 GHEDRO C=C(C)Cn1c(N2CC[N@@H+](CC)[C@@H](C)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000670234379 887807548 /nfs/dbraw/zinc/80/75/48/887807548.db2.gz RUJYYNKBKOJXEL-INIZCTEOSA-N 1 0 391.466 3.513 20 30 GHEDRO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccc(OCC#N)cc1 ZINC000171768797 887971971 /nfs/dbraw/zinc/97/19/71/887971971.db2.gz XIZXWIHXAJODDD-LBPRGKRZSA-N 1 0 389.249 3.931 20 30 GHEDRO C#Cc1ccccc1CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000809951720 888018126 /nfs/dbraw/zinc/01/81/26/888018126.db2.gz NNYQIGCHFVNLHM-HSZRJFAPSA-N 1 0 376.500 3.562 20 30 GHEDRO N#CCc1cncc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001170594893 888084526 /nfs/dbraw/zinc/08/45/26/888084526.db2.gz GNJBYTWWLMVLRZ-DEOSSOPVSA-N 1 0 386.499 3.623 20 30 GHEDRO N#Cc1cc(C[N@H+]2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)ccn1 ZINC000810049031 888094548 /nfs/dbraw/zinc/09/45/48/888094548.db2.gz RAKSTWFKRVLRIB-QFBILLFUSA-N 1 0 386.293 3.661 20 30 GHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000188772957 888292082 /nfs/dbraw/zinc/29/20/82/888292082.db2.gz CXYMNSBXAQFJSQ-IBGZPJMESA-N 1 0 393.491 3.723 20 30 GHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000810225721 888301399 /nfs/dbraw/zinc/30/13/99/888301399.db2.gz KWNAZSZPJKWVFL-NAJQJYEQSA-N 1 0 397.425 3.809 20 30 GHEDRO COc1ccc(C([NH2+]C[C@@H](O)c2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000763230313 888365051 /nfs/dbraw/zinc/36/50/51/888365051.db2.gz HCHGFHYMNUJSLM-HSZRJFAPSA-N 1 0 388.467 3.988 20 30 GHEDRO CC(C)(C#N)c1ccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000475925401 888552951 /nfs/dbraw/zinc/55/29/51/888552951.db2.gz GRDLFAITQMAZRM-UHFFFAOYSA-N 1 0 391.515 3.892 20 30 GHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC(=O)N3CCc4ccccc43)c2)c1 ZINC000729685034 888567986 /nfs/dbraw/zinc/56/79/86/888567986.db2.gz OXDZJSUMSOWIAR-UHFFFAOYSA-N 1 0 397.478 3.816 20 30 GHEDRO C(=NNCC[NH+]1CCCCC1)c1ccc(N2CCC(c3ccccc3)=N2)cc1 ZINC000915973247 888591406 /nfs/dbraw/zinc/59/14/06/888591406.db2.gz DPLCMTRQAPKSCP-UHFFFAOYSA-N 1 0 375.520 3.710 20 30 GHEDRO Cn1cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c2cccnc21 ZINC000865812061 888591362 /nfs/dbraw/zinc/59/13/62/888591362.db2.gz IROKZZOKXQMEDL-UHFFFAOYSA-N 1 0 384.487 3.683 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1nc2ccccc2s1 ZINC000916060974 888675721 /nfs/dbraw/zinc/67/57/21/888675721.db2.gz BWWRAHGRCBQGTP-VAWYXSNFSA-N 1 0 390.512 3.772 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000794891725 888698979 /nfs/dbraw/zinc/69/89/79/888698979.db2.gz HWQPQUGHIAOCBZ-QFIPXVFZSA-N 1 0 375.451 3.885 20 30 GHEDRO Cc1cccnc1[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)C ZINC000120923044 888758771 /nfs/dbraw/zinc/75/87/71/888758771.db2.gz FSNXGRNNBZDRCB-UWJYYQICSA-N 1 0 385.471 3.914 20 30 GHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccccc2OCOC)no1 ZINC001211975272 888763074 /nfs/dbraw/zinc/76/30/74/888763074.db2.gz BKOHFWWMGGHKFG-AEFFLSMTSA-N 1 0 389.496 3.797 20 30 GHEDRO C=CCCC(=O)Nc1ccc(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810693282 888801864 /nfs/dbraw/zinc/80/18/64/888801864.db2.gz OBRVIKINFFFABR-OAQYLSRUSA-N 1 0 376.472 3.847 20 30 GHEDRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1NC(C)=O ZINC000866449029 888883119 /nfs/dbraw/zinc/88/31/19/888883119.db2.gz PQIKBMXACDXFMM-MRXNPFEDSA-N 1 0 392.503 3.845 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000496592732 888907252 /nfs/dbraw/zinc/90/72/52/888907252.db2.gz NPXSDLYFQCFDJV-SFHVURJKSA-N 1 0 391.556 3.760 20 30 GHEDRO COCC[N@H+](C)CCCC1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000488105330 888961973 /nfs/dbraw/zinc/96/19/73/888961973.db2.gz NOPKXAUAKPGHQG-UHFFFAOYSA-N 1 0 380.536 3.990 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCOC)Cc2ccc(F)c(Cl)c2)CC1 ZINC000454457993 889070758 /nfs/dbraw/zinc/07/07/58/889070758.db2.gz FBSKTJPHFBKEKE-UHFFFAOYSA-N 1 0 397.922 3.678 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)C(C)C ZINC000916521831 889081353 /nfs/dbraw/zinc/08/13/53/889081353.db2.gz PYZVCHQXWOTXQL-PKTZIBPZSA-N 1 0 399.579 3.840 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000763408960 889233252 /nfs/dbraw/zinc/23/32/52/889233252.db2.gz QXAJISCIPVWEJK-IBGZPJMESA-N 1 0 387.524 3.906 20 30 GHEDRO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)c1nc(C(C)(C)C)no1 ZINC000122226674 889523832 /nfs/dbraw/zinc/52/38/32/889523832.db2.gz YTSIYCDEDAHYLO-OAHLLOKOSA-N 1 0 385.512 3.751 20 30 GHEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2ccc(C#N)cc2Br)C1 ZINC000811443378 889596225 /nfs/dbraw/zinc/59/62/25/889596225.db2.gz IUMYUVZPQFYMEA-KRWDZBQOSA-N 1 0 383.261 3.576 20 30 GHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000533080170 889709806 /nfs/dbraw/zinc/70/98/06/889709806.db2.gz QIMNAUGNAGSCKM-MSOLQXFVSA-N 1 0 389.927 3.644 20 30 GHEDRO C[C@@H](O)C[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000122410388 889757557 /nfs/dbraw/zinc/75/75/57/889757557.db2.gz XBENBIXOKZOGLP-PBHICJAKSA-N 1 0 395.425 3.544 20 30 GHEDRO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454812142 889808592 /nfs/dbraw/zinc/80/85/92/889808592.db2.gz PNTLJQKZCAYIMR-IFMALSPDSA-N 1 0 399.579 3.959 20 30 GHEDRO C=C[C@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000124963762 889830142 /nfs/dbraw/zinc/83/01/42/889830142.db2.gz KJNLBSREUNJHBP-CTNGQTDRSA-N 1 0 391.515 3.682 20 30 GHEDRO C[C@H](COc1ccccc1)NN=C1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000811666789 889854830 /nfs/dbraw/zinc/85/48/30/889854830.db2.gz KDRIPYQYTNQAAJ-GOSISDBHSA-N 1 0 379.504 3.695 20 30 GHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c1 ZINC000533148364 889891573 /nfs/dbraw/zinc/89/15/73/889891573.db2.gz JAMCJYVBVNJJOC-NRFANRHFSA-N 1 0 382.529 3.819 20 30 GHEDRO Cc1nc(Cl)c(C#N)c(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)n1 ZINC001170644479 889989750 /nfs/dbraw/zinc/98/97/50/889989750.db2.gz PSNQXYNGAUEIMO-BXNZUYAZSA-N 1 0 381.911 3.943 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccccc1SCC#N ZINC000869799543 890072120 /nfs/dbraw/zinc/07/21/20/890072120.db2.gz GZKLFCNZFBKEHJ-IEBWSBKVSA-N 1 0 379.529 3.800 20 30 GHEDRO CC[N@H+](CC(=O)NCCCN(C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000533248153 890085913 /nfs/dbraw/zinc/08/59/13/890085913.db2.gz MQTXMQFQYXHRFE-IBGZPJMESA-N 1 0 378.520 3.584 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)cc1 ZINC000122836994 890125875 /nfs/dbraw/zinc/12/58/75/890125875.db2.gz VUPSJWUUFJSFDP-UHFFFAOYSA-N 1 0 378.398 3.619 20 30 GHEDRO C#C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000811963041 890168873 /nfs/dbraw/zinc/16/88/73/890168873.db2.gz FMLGRDSQPDNVDT-RZUBCFFCSA-N 1 0 393.918 3.788 20 30 GHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000870733801 890481313 /nfs/dbraw/zinc/48/13/13/890481313.db2.gz SNGDYNDFIOHUOD-FQEVSTJZSA-N 1 0 386.540 3.687 20 30 GHEDRO C=CCCCCCCCC[N@H+]1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001275338099 913457471 /nfs/dbraw/zinc/45/74/71/913457471.db2.gz ZTUOJURBOSXIGW-SFHVURJKSA-N 1 0 376.463 3.769 20 30 GHEDRO CC(C)[NH+]1CCC(CCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000870954694 890585268 /nfs/dbraw/zinc/58/52/68/890585268.db2.gz FHEFBEBIYJYJRA-UHFFFAOYSA-N 1 0 393.535 3.704 20 30 GHEDRO N#CCOc1ccccc1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000870963839 890588463 /nfs/dbraw/zinc/58/84/63/890588463.db2.gz KYHLTURTAKNTFV-UHFFFAOYSA-N 1 0 377.488 3.621 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC001133321242 890678673 /nfs/dbraw/zinc/67/86/73/890678673.db2.gz MDFVLSMTUMEUQJ-WGSAOQKQSA-N 1 0 377.532 3.716 20 30 GHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000533512148 890727571 /nfs/dbraw/zinc/72/75/71/890727571.db2.gz NDIBSDJUJLOCHV-GPMSIDNRSA-N 1 0 388.943 3.877 20 30 GHEDRO N#Cc1ccc(CN2CCC([NH2+]CC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000812832078 891014984 /nfs/dbraw/zinc/01/49/84/891014984.db2.gz CNJOXZQAXQNBDN-UHFFFAOYSA-N 1 0 398.510 3.904 20 30 GHEDRO N#Cc1ccc(OCC[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)cc1 ZINC000812835313 891022105 /nfs/dbraw/zinc/02/21/05/891022105.db2.gz OGBMMNAVIOIGNP-UHFFFAOYSA-N 1 0 376.815 3.565 20 30 GHEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC001184936524 913514697 /nfs/dbraw/zinc/51/46/97/913514697.db2.gz KNDFTJPSZNBUCB-NRFANRHFSA-N 1 0 386.499 3.920 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812880373 891060011 /nfs/dbraw/zinc/06/00/11/891060011.db2.gz ISRPDGDHEQXIHE-KNQAVFIVSA-N 1 0 379.479 3.711 20 30 GHEDRO C#C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000812886499 891066075 /nfs/dbraw/zinc/06/60/75/891066075.db2.gz JYFJBADKOJDEPJ-WVUPVLJSSA-N 1 0 391.490 3.995 20 30 GHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000872119966 891165610 /nfs/dbraw/zinc/16/56/10/891165610.db2.gz LRHYRWGEJKLMBP-SLFZUYKTSA-N 1 0 383.941 3.824 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H](CC[NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000872221114 891213276 /nfs/dbraw/zinc/21/32/76/891213276.db2.gz WBADBAQIWNCXMD-IAGOWNOFSA-N 1 0 385.508 3.560 20 30 GHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872277514 891224825 /nfs/dbraw/zinc/22/48/25/891224825.db2.gz YFWSAHYYKSXFNG-QFIPXVFZSA-N 1 0 399.535 3.756 20 30 GHEDRO CCc1ccc([C@H](CNS(=O)(=O)c2cccc(C)c2C#N)[NH+](CC)CC)cc1 ZINC001212021881 891334374 /nfs/dbraw/zinc/33/43/74/891334374.db2.gz WMJSNTIIZVLNSP-NRFANRHFSA-N 1 0 399.560 3.791 20 30 GHEDRO C#Cc1ccccc1CC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000813236103 891388097 /nfs/dbraw/zinc/38/80/97/891388097.db2.gz FBSMJFHFGAHMCW-UHFFFAOYSA-N 1 0 375.516 3.627 20 30 GHEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873328484 891586213 /nfs/dbraw/zinc/58/62/13/891586213.db2.gz XLJQFKQIVSGRHA-PSASIEDQSA-N 1 0 387.299 3.754 20 30 GHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497592839 891948268 /nfs/dbraw/zinc/94/82/68/891948268.db2.gz TURXCMSUUQCEFR-NVXWUHKLSA-N 1 0 396.457 3.937 20 30 GHEDRO CC[N@H+](C[C@H](O)COc1ccc(C(C)=O)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618818 892024491 /nfs/dbraw/zinc/02/44/91/892024491.db2.gz PKQFHFZOUGGHEH-KKSFZXQISA-N 1 0 396.487 3.592 20 30 GHEDRO N#Cc1ccc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c2cc[nH]c21 ZINC001170719315 892175829 /nfs/dbraw/zinc/17/58/29/892175829.db2.gz ZIWWHXXVTOVHNW-MXVIHJGJSA-N 1 0 377.536 3.790 20 30 GHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000729812263 892226465 /nfs/dbraw/zinc/22/64/65/892226465.db2.gz QAUHDBYBFMBVFO-QGZVFWFLSA-N 1 0 393.418 3.592 20 30 GHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cscc3C#N)cc2)C[C@H]1C ZINC000497799869 892462858 /nfs/dbraw/zinc/46/28/58/892462858.db2.gz YIBFTOVGOCHFBW-IAGOWNOFSA-N 1 0 397.544 3.559 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000875237753 892504730 /nfs/dbraw/zinc/50/47/30/892504730.db2.gz AIWRKPCSPUAJMF-RDJZCZTQSA-N 1 0 382.430 3.581 20 30 GHEDRO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[NH+]1CCCCC1 ZINC000917840214 892641415 /nfs/dbraw/zinc/64/14/15/892641415.db2.gz QDACRNXVCROMLQ-SFHVURJKSA-N 1 0 377.488 3.741 20 30 GHEDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000933248894 892976859 /nfs/dbraw/zinc/97/68/59/892976859.db2.gz NYVYSLRVMCZQRU-ZWKOTPCHSA-N 1 0 388.581 3.681 20 30 GHEDRO C[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[NH+]1CCCCC1 ZINC000918029268 893002450 /nfs/dbraw/zinc/00/24/50/893002450.db2.gz GSJHSRBIQDAYMX-OAHLLOKOSA-N 1 0 383.521 3.601 20 30 GHEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 ZINC000814658430 893015049 /nfs/dbraw/zinc/01/50/49/893015049.db2.gz CIHIOVXOKGMFSJ-HXUWFJFHSA-N 1 0 390.487 3.542 20 30 GHEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1OC ZINC000933443746 893043406 /nfs/dbraw/zinc/04/34/06/893043406.db2.gz FCBKMXHSRWCHEJ-QHCPKHFHSA-N 1 0 382.504 3.588 20 30 GHEDRO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814677923 893061358 /nfs/dbraw/zinc/06/13/58/893061358.db2.gz JQSLJEPMWXYYSO-HDICACEKSA-N 1 0 385.508 3.646 20 30 GHEDRO C=CCNc1ncc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000129229682 893176016 /nfs/dbraw/zinc/17/60/16/893176016.db2.gz QMMWJAAJXCEMRJ-CZUORRHYSA-N 1 0 376.551 3.615 20 30 GHEDRO CC(C)(C)OC(=O)Nc1cnc(CN(Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000876570807 893235304 /nfs/dbraw/zinc/23/53/04/893235304.db2.gz ORUGAGZDQIHTTG-UHFFFAOYSA-N 1 0 379.464 3.860 20 30 GHEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(OCC)c(OCC)cc1Br ZINC000876613159 893257215 /nfs/dbraw/zinc/25/72/15/893257215.db2.gz JUXSLIXRGVCONV-LLVKDONJSA-N 1 0 391.693 3.655 20 30 GHEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000876640366 893267989 /nfs/dbraw/zinc/26/79/89/893267989.db2.gz SFHYQGCDQMDERZ-HIFRSBDPSA-N 1 0 395.290 3.566 20 30 GHEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2nc(-c3cccnc3)no2)ccc1O ZINC000814950166 893299468 /nfs/dbraw/zinc/29/94/68/893299468.db2.gz TXJGOOJCSCNQPS-UHFFFAOYSA-N 1 0 380.452 3.515 20 30 GHEDRO CCN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455801640 893358877 /nfs/dbraw/zinc/35/88/77/893358877.db2.gz ZMYYGHZYMPMVGL-QGZVFWFLSA-N 1 0 383.883 3.735 20 30 GHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000877042427 893454440 /nfs/dbraw/zinc/45/44/40/893454440.db2.gz QUIYPGVKOZFUFE-PKOBYXMFSA-N 1 0 387.524 3.941 20 30 GHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000877074622 893470450 /nfs/dbraw/zinc/47/04/50/893470450.db2.gz CCMIKSRFEVSSHJ-DYVFJYSZSA-N 1 0 390.833 3.778 20 30 GHEDRO CCOc1cc(C[NH2+]CCOc2ccc(C#N)cc2)cc(Br)c1O ZINC000459426335 893508048 /nfs/dbraw/zinc/50/80/48/893508048.db2.gz SWUYEGCQSSOCRI-UHFFFAOYSA-N 1 0 391.265 3.594 20 30 GHEDRO C=CCc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc(OC)c1OC ZINC000918348694 893533324 /nfs/dbraw/zinc/53/33/24/893533324.db2.gz RBPSZZCUWDIJCQ-IBGZPJMESA-N 1 0 386.467 3.604 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1Br ZINC000498268515 893802509 /nfs/dbraw/zinc/80/25/09/893802509.db2.gz UUFQRWGLLMMVKR-UHFFFAOYSA-N 1 0 386.293 3.525 20 30 GHEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000609280847 893864512 /nfs/dbraw/zinc/86/45/12/893864512.db2.gz QPHWMJXQNNMGLE-SIKLNZKXSA-N 1 0 380.488 3.728 20 30 GHEDRO CC(C)(CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000878008591 893941537 /nfs/dbraw/zinc/94/15/37/893941537.db2.gz COJPFXYDTFAOOY-UHFFFAOYSA-N 1 0 381.442 3.961 20 30 GHEDRO C#CCN(C)CCC[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000815652492 894095882 /nfs/dbraw/zinc/09/58/82/894095882.db2.gz FLBQJEOERWHSTL-CYBMUJFWSA-N 1 0 389.849 3.621 20 30 GHEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000459728190 894118670 /nfs/dbraw/zinc/11/86/70/894118670.db2.gz IGDLBGBMQBPQIN-ROUUACIJSA-N 1 0 395.503 3.998 20 30 GHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)cc1OC ZINC000537025020 894232464 /nfs/dbraw/zinc/23/24/64/894232464.db2.gz HLQQZZDWQNQHHX-HOCLYGCPSA-N 1 0 384.314 3.927 20 30 GHEDRO C[C@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000878399213 894259526 /nfs/dbraw/zinc/25/95/26/894259526.db2.gz PGVLXWVYXPLZJN-HNNXBMFYSA-N 1 0 386.455 3.644 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691621 894282833 /nfs/dbraw/zinc/28/28/33/894282833.db2.gz BJTRYNMUCLCFKA-LJQANCHMSA-O 1 0 397.564 3.861 20 30 GHEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC ZINC000537066211 894286181 /nfs/dbraw/zinc/28/61/81/894286181.db2.gz UGJUMHJOONHRMK-ZDUSSCGKSA-N 1 0 387.867 3.908 20 30 GHEDRO CC(C)COc1ccc(C(C)(C)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000537115078 894366553 /nfs/dbraw/zinc/36/65/53/894366553.db2.gz AWNBJGVVQQKOHU-UHFFFAOYSA-N 1 0 379.504 3.734 20 30 GHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000564001248 894428537 /nfs/dbraw/zinc/42/85/37/894428537.db2.gz BHWFORIQBFTGBV-UTKZUKDTSA-N 1 0 380.488 3.653 20 30 GHEDRO C[C@@H](c1cccc(NC(=O)N(C)CCc2cccc(C#N)c2)c1)N1CCOCC1 ZINC000878627506 894457074 /nfs/dbraw/zinc/45/70/74/894457074.db2.gz PRULXZMNKXYWCA-SFHVURJKSA-N 1 0 392.503 3.658 20 30 GHEDRO Cc1csc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1C#N ZINC000564096531 894587705 /nfs/dbraw/zinc/58/77/05/894587705.db2.gz LVHUQFWLXQVZKH-MSOLQXFVSA-N 1 0 380.517 3.914 20 30 GHEDRO N#Cc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000564157784 894660578 /nfs/dbraw/zinc/66/05/78/894660578.db2.gz UYPVVYKLCIQYTQ-NRFANRHFSA-N 1 0 390.405 3.726 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000537296766 894724117 /nfs/dbraw/zinc/72/41/17/894724117.db2.gz ZUFUSUZKXXPHOJ-QZTJIDSGSA-N 1 0 397.544 3.830 20 30 GHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000564230347 894746288 /nfs/dbraw/zinc/74/62/88/894746288.db2.gz QMVAIVMLKQUWPG-ZDUSSCGKSA-N 1 0 386.839 3.621 20 30 GHEDRO C=CCC(F)(F)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)cc1OCC ZINC000816361497 894749993 /nfs/dbraw/zinc/74/99/93/894749993.db2.gz RMLSOWNSWWCSJS-UHFFFAOYSA-N 1 0 381.467 3.767 20 30 GHEDRO C=CCc1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc(OC)c1O ZINC000537312185 894755925 /nfs/dbraw/zinc/75/59/25/894755925.db2.gz QYBVVPIBILFZFW-UHFFFAOYSA-N 1 0 382.382 3.712 20 30 GHEDRO CSc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000888776672 895114878 /nfs/dbraw/zinc/11/48/78/895114878.db2.gz DESBFTUHABSZDX-DOTOQJQBSA-N 1 0 386.565 3.732 20 30 GHEDRO C=CCN1CCC([NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000564844561 895278565 /nfs/dbraw/zinc/27/85/65/895278565.db2.gz JEKYTMQSVNEGOP-DQEYMECFSA-N 1 0 394.559 3.702 20 30 GHEDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC000880026156 895461669 /nfs/dbraw/zinc/46/16/69/895461669.db2.gz FXTNRPSJFWITQL-SJORKVTESA-N 1 0 397.441 3.736 20 30 GHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000817365805 895568413 /nfs/dbraw/zinc/56/84/13/895568413.db2.gz VUTQMBZYIYIZAV-DNVCBOLYSA-N 1 0 395.507 3.525 20 30 GHEDRO C#CCNC(=O)C1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000817405614 895584907 /nfs/dbraw/zinc/58/49/07/895584907.db2.gz BXOAXVXFOAZQHB-UHFFFAOYSA-N 1 0 390.531 3.627 20 30 GHEDRO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000880285934 895618733 /nfs/dbraw/zinc/61/87/33/895618733.db2.gz OYFQHZWKPOMZCI-SJORKVTESA-N 1 0 378.463 3.604 20 30 GHEDRO CN(CCCC[NH+]1CCCCC1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000880517563 895738210 /nfs/dbraw/zinc/73/82/10/895738210.db2.gz SKSUDLYRZFPHBQ-QGZVFWFLSA-N 1 0 384.549 3.670 20 30 GHEDRO N#Cc1cc(N[C@H]2CC[C@H](Nc3ccccn3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000565799320 895888940 /nfs/dbraw/zinc/88/89/40/895888940.db2.gz ATSJIKMVWAVUGN-WKILWMFISA-N 1 0 388.431 3.667 20 30 GHEDRO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)n1-c1ccc(C#N)cc1 ZINC000818171106 896054115 /nfs/dbraw/zinc/05/41/15/896054115.db2.gz UHOSBPLALSSVMC-HSZRJFAPSA-N 1 0 376.504 3.524 20 30 GHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000566110749 896115130 /nfs/dbraw/zinc/11/51/30/896115130.db2.gz PQWLAHCAQICPSB-UHFFFAOYSA-N 1 0 388.920 3.697 20 30 GHEDRO N#Cc1ccccc1OCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400419 896258238 /nfs/dbraw/zinc/25/82/38/896258238.db2.gz SCARFWKOJLTDIP-IBGZPJMESA-N 1 0 383.879 3.544 20 30 GHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)ccc1OC ZINC000819069272 896386786 /nfs/dbraw/zinc/38/67/86/896386786.db2.gz NSVKHEUZDRDMNF-MAUKXSAKSA-N 1 0 392.858 3.992 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000819183906 896452376 /nfs/dbraw/zinc/45/23/76/896452376.db2.gz UBXRARUEXVBTGX-PDIWNELESA-N 1 0 380.488 3.507 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NCCC2CC[NH+](C)CC2)s1 ZINC000819208879 896499767 /nfs/dbraw/zinc/49/97/67/896499767.db2.gz SQECRWFRBMUXEC-UHFFFAOYSA-N 1 0 388.002 3.687 20 30 GHEDRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819209377 896501464 /nfs/dbraw/zinc/50/14/64/896501464.db2.gz WXYNKKPYSFAVTL-AGRHKRQWSA-N 1 0 389.293 3.720 20 30 GHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000819217195 896510908 /nfs/dbraw/zinc/51/09/08/896510908.db2.gz RQCWHXMGFMYVSH-SJORKVTESA-N 1 0 388.533 3.596 20 30 GHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1scc(C)c1C#N ZINC000566745603 896539589 /nfs/dbraw/zinc/53/95/89/896539589.db2.gz DCSIQQUPBFUVBU-UHFFFAOYSA-N 1 0 399.520 3.723 20 30 GHEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(C[NH+](C)C)CC2)s1 ZINC000819278706 896564187 /nfs/dbraw/zinc/56/41/87/896564187.db2.gz GJMRWGDTCWZUJI-UHFFFAOYSA-N 1 0 388.002 3.639 20 30 GHEDRO CC[NH+]1C[C@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC000566937702 896715999 /nfs/dbraw/zinc/71/59/99/896715999.db2.gz CBLGGXPALQGWDK-ROUUACIJSA-N 1 0 377.488 3.692 20 30 GHEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000567076927 896854420 /nfs/dbraw/zinc/85/44/20/896854420.db2.gz MAQQWHHIVZYMRH-LJQANCHMSA-N 1 0 396.466 3.834 20 30 GHEDRO C#CCN1CC[C@@]2(CC[N@H+](CC3=CSC(=C4SC=CS4)S3)C2)C1=O ZINC001276324061 914131988 /nfs/dbraw/zinc/13/19/88/914131988.db2.gz LJBVKUMOONXFLC-QGZVFWFLSA-N 1 0 394.612 3.943 20 30 GHEDRO C#C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000820470440 897347185 /nfs/dbraw/zinc/34/71/85/897347185.db2.gz XHWIAHZSXGTMTN-KRWDZBQOSA-N 1 0 385.405 3.558 20 30 GHEDRO C=CCCC[C@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC000883184845 897347163 /nfs/dbraw/zinc/34/71/63/897347163.db2.gz GZRVPAFAZVJSQQ-QFIPXVFZSA-N 1 0 392.547 3.971 20 30 GHEDRO CCc1ccc(C(=O)C(C(=S)NCCSC)[n+]2ccc(CC)cc2)cc1 ZINC000131236368 897375600 /nfs/dbraw/zinc/37/56/00/897375600.db2.gz ORBRRBJYPLFWFY-UHFFFAOYSA-O 1 0 387.594 3.990 20 30 GHEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)[C@H]1CCCO1 ZINC000883220231 897380942 /nfs/dbraw/zinc/38/09/42/897380942.db2.gz GMQOXHUIYBPBDB-MZKRTTBSSA-N 1 0 397.519 3.515 20 30 GHEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000883345448 897513800 /nfs/dbraw/zinc/51/38/00/897513800.db2.gz CGGFMFSDVVGNNW-GCJKJVERSA-N 1 0 376.504 3.874 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1F ZINC000820744551 897529721 /nfs/dbraw/zinc/52/97/21/897529721.db2.gz IKCQLWPVEQFUAQ-BEFAXECRSA-N 1 0 377.891 3.527 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cnc3cccc(C)n13)CC2 ZINC001137190784 897674525 /nfs/dbraw/zinc/67/45/25/897674525.db2.gz BOMAKAXEBZITNB-UHFFFAOYSA-N 1 0 382.508 3.643 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000132353963 897761820 /nfs/dbraw/zinc/76/18/20/897761820.db2.gz YLIQUFICYJJJNA-ORAYPTAESA-N 1 0 387.842 3.665 20 30 GHEDRO C[NH+](C)CCn1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)n1 ZINC000303039054 914191996 /nfs/dbraw/zinc/19/19/96/914191996.db2.gz RUEHJKHNTKGQEW-UHFFFAOYSA-N 1 0 391.500 3.720 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000821342249 897845133 /nfs/dbraw/zinc/84/51/33/897845133.db2.gz MFFRTJFPOLZWBB-NHCUHLMSSA-N 1 0 393.487 3.847 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2sccc2c(O)c1 ZINC001136488229 898022147 /nfs/dbraw/zinc/02/21/47/898022147.db2.gz IWEPNEBKDWQRIW-UHFFFAOYSA-N 1 0 379.485 3.683 20 30 GHEDRO C=CCOc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000568678454 898029399 /nfs/dbraw/zinc/02/93/99/898029399.db2.gz ZIUTUJFDMNPEPG-UHFFFAOYSA-N 1 0 381.432 3.982 20 30 GHEDRO Cn1cc(C[N@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)cc1C#N ZINC000568685351 898033119 /nfs/dbraw/zinc/03/31/19/898033119.db2.gz WAIKABHAFZLHSN-KRWDZBQOSA-N 1 0 385.817 3.518 20 30 GHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000568801726 898112465 /nfs/dbraw/zinc/11/24/65/898112465.db2.gz VLUTZEJJJAETPZ-VCOUNFBDSA-N 1 0 397.563 3.579 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 ZINC000106037582 898247931 /nfs/dbraw/zinc/24/79/31/898247931.db2.gz NENGVLAWEIXVCX-UHFFFAOYSA-N 1 0 387.505 3.672 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)[C@@H](C)CC)c2)CC1 ZINC000106265131 898262707 /nfs/dbraw/zinc/26/27/07/898262707.db2.gz IUCWFFVXFGJCHI-KRWDZBQOSA-N 1 0 386.540 3.511 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCCC)c(Cl)c2)CC1 ZINC000106323113 898264510 /nfs/dbraw/zinc/26/45/10/898264510.db2.gz YNMDHTUQVYMBCF-UHFFFAOYSA-N 1 0 392.931 3.642 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000106321612 898264697 /nfs/dbraw/zinc/26/46/97/898264697.db2.gz LFIHLQQUOSYRLZ-UHFFFAOYSA-N 1 0 380.492 3.823 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC001136557295 898271149 /nfs/dbraw/zinc/27/11/49/898271149.db2.gz YIPAGGLRUVFLMM-QGZVFWFLSA-N 1 0 398.334 3.821 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000822382385 898329381 /nfs/dbraw/zinc/32/93/81/898329381.db2.gz BXZYCAURGPZUMF-UHFFFAOYSA-N 1 0 394.450 3.764 20 30 GHEDRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000109027895 898412999 /nfs/dbraw/zinc/41/29/99/898412999.db2.gz VVHIRKKQHRUVBX-UHFFFAOYSA-N 1 0 394.475 3.583 20 30 GHEDRO CCCCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(CC)cc1 ZINC000133553499 898607813 /nfs/dbraw/zinc/60/78/13/898607813.db2.gz BWBGHPHBUVXKQV-UHFFFAOYSA-O 1 0 399.536 3.652 20 30 GHEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289638952 914275559 /nfs/dbraw/zinc/27/55/59/914275559.db2.gz CHEFDLRJQXMVOL-UHFFFAOYSA-N 1 0 379.464 3.695 20 30 GHEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111508799 898809238 /nfs/dbraw/zinc/80/92/38/898809238.db2.gz DIGVFELIYQGERW-NOTZXAQLSA-N 1 0 388.515 3.895 20 30 GHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000569610322 898825862 /nfs/dbraw/zinc/82/58/62/898825862.db2.gz INMCSDUCFJACSX-CQSZACIVSA-N 1 0 390.325 3.579 20 30 GHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC[C@@H]21 ZINC000289669205 914289090 /nfs/dbraw/zinc/28/90/90/914289090.db2.gz DYTASDSTJZRFEI-KKSFZXQISA-N 1 0 391.475 3.694 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1)C2 ZINC000884094284 898853657 /nfs/dbraw/zinc/85/36/57/898853657.db2.gz GYNPQVPNSFNKMH-MEDXUSCSSA-N 1 0 385.920 3.746 20 30 GHEDRO C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000113552566 899010311 /nfs/dbraw/zinc/01/03/11/899010311.db2.gz JKHUYNRNJMQJRO-SFHVURJKSA-N 1 0 376.504 3.925 20 30 GHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000569936283 899031464 /nfs/dbraw/zinc/03/14/64/899031464.db2.gz CZUUABPSVRTFKT-WXFUMESZSA-N 1 0 376.500 3.977 20 30 GHEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc(OC)c1OC ZINC000823937028 899323081 /nfs/dbraw/zinc/32/30/81/899323081.db2.gz FMODAJNHOATDNS-ZDUSSCGKSA-N 1 0 397.454 3.602 20 30 GHEDRO COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1C ZINC001136923251 899766491 /nfs/dbraw/zinc/76/64/91/899766491.db2.gz KNLCBHFSWKCLMF-HXUWFJFHSA-N 1 0 395.503 3.652 20 30 GHEDRO O[C@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)COCc1ccccc1Cl ZINC000571315623 899824507 /nfs/dbraw/zinc/82/45/07/899824507.db2.gz LDJSIWHMWVLIJE-GOSISDBHSA-N 1 0 397.824 3.878 20 30 GHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]2COC[C@@H]21 ZINC000333132883 899987706 /nfs/dbraw/zinc/98/77/06/899987706.db2.gz XGNSJXZVKVIVJN-DLBZAZTESA-N 1 0 387.549 3.574 20 30 GHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000333236738 900057786 /nfs/dbraw/zinc/05/77/86/900057786.db2.gz VPZZGRCPIAFJGR-RLHVNXBHSA-N 1 0 398.551 3.620 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl)C2 ZINC000884436126 900079105 /nfs/dbraw/zinc/07/91/05/900079105.db2.gz WBZNACPJQPWWIQ-KLOMGHIOSA-N 1 0 385.939 3.793 20 30 GHEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1)C2 ZINC000884453723 900091002 /nfs/dbraw/zinc/09/10/02/900091002.db2.gz XCRXSJRJNXZSQR-NLGTXKQRSA-N 1 0 377.410 3.588 20 30 GHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000572327483 900138566 /nfs/dbraw/zinc/13/85/66/900138566.db2.gz KCQTVYZHPCAFIC-MRXNPFEDSA-N 1 0 381.480 3.987 20 30 GHEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000135326389 900224824 /nfs/dbraw/zinc/22/48/24/900224824.db2.gz DBQPNBGPSSOEAV-GOSISDBHSA-N 1 0 382.439 3.514 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000157092187 900273211 /nfs/dbraw/zinc/27/32/11/900273211.db2.gz CCKJKRZIBAQJHY-UHFFFAOYSA-N 1 0 377.822 3.694 20 30 GHEDRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000573269114 900435319 /nfs/dbraw/zinc/43/53/19/900435319.db2.gz XICMQTDURCZHOR-SJCJKPOMSA-N 1 0 393.256 3.550 20 30 GHEDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000573657060 900590558 /nfs/dbraw/zinc/59/05/58/900590558.db2.gz DXOYRSNPJALQJL-YCRPNKLZSA-N 1 0 389.565 3.964 20 30 GHEDRO CC[NH+]1CCC(N(C)C(=O)/C=C(\C)C(=O)c2ccc(Br)cc2)CC1 ZINC001143883295 900682351 /nfs/dbraw/zinc/68/23/51/900682351.db2.gz LIVMLWBPMCTLTE-BUHFOSPRSA-N 1 0 393.325 3.521 20 30 GHEDRO C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](CC)CC1 ZINC000574203501 900817745 /nfs/dbraw/zinc/81/77/45/900817745.db2.gz YUEMPBDAYVUILL-UHFFFAOYSA-N 1 0 383.540 3.617 20 30 GHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000574349266 900855389 /nfs/dbraw/zinc/85/53/89/900855389.db2.gz KKBJGFXJHNIEOF-DENIHFKCSA-N 1 0 381.545 3.938 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)CCC1 ZINC000886174505 900861539 /nfs/dbraw/zinc/86/15/39/900861539.db2.gz BROLBAXKUAYUND-MRXNPFEDSA-N 1 0 398.425 3.625 20 30 GHEDRO COc1ccc(C[N@H+](CCc2ccccn2)C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000886183823 900867738 /nfs/dbraw/zinc/86/77/38/900867738.db2.gz OAVTZPBFIAEXCN-NRFANRHFSA-N 1 0 379.504 3.580 20 30 GHEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000886192449 900876144 /nfs/dbraw/zinc/87/61/44/900876144.db2.gz WYVHCGKLLXMZNB-UXPWSPDFSA-N 1 0 377.479 3.523 20 30 GHEDRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)O2)[C@H]1C ZINC000886341347 900942231 /nfs/dbraw/zinc/94/22/31/900942231.db2.gz UHXUQJDHBUMZHV-MYEKKWIISA-N 1 0 394.519 3.526 20 30 GHEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cnc1Cl ZINC000844555695 901017092 /nfs/dbraw/zinc/01/70/92/901017092.db2.gz FOPNAJWJTXNYBS-UHFFFAOYSA-N 1 0 383.883 3.701 20 30 GHEDRO N#Cc1cncc(C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)c1 ZINC001144080088 901049094 /nfs/dbraw/zinc/04/90/94/901049094.db2.gz VAYBXKVSOFXVOS-UHFFFAOYSA-N 1 0 388.515 3.718 20 30 GHEDRO N#Cc1cncc(CN2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001144084942 901053436 /nfs/dbraw/zinc/05/34/36/901053436.db2.gz UAHAYRDKKMKVFX-UHFFFAOYSA-N 1 0 390.531 3.599 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)Nc3ccc4c(c3)CCC4)CC2)c1 ZINC000844596886 901063008 /nfs/dbraw/zinc/06/30/08/901063008.db2.gz QCOMOUXCADMWEE-UHFFFAOYSA-N 1 0 390.556 3.998 20 30 GHEDRO Clc1ccc(-c2noc(CO/[NH+]=C/c3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000067768074 901063652 /nfs/dbraw/zinc/06/36/52/901063652.db2.gz OLXAUFCADAHXTB-LPYMAVHISA-N 1 0 398.850 3.777 20 30 GHEDRO C#CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC[NH+](C)CC1 ZINC000886581164 901176972 /nfs/dbraw/zinc/17/69/72/901176972.db2.gz LNBXWAQTRPOJPF-UHFFFAOYSA-N 1 0 387.483 3.715 20 30 GHEDRO C#CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)C1CC[NH+](C)CC1 ZINC000886587088 901180050 /nfs/dbraw/zinc/18/00/50/901180050.db2.gz GISJCVSYBZVAGA-UHFFFAOYSA-N 1 0 387.936 3.562 20 30 GHEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1C#N ZINC000886688708 901228016 /nfs/dbraw/zinc/22/80/16/901228016.db2.gz YLEDOYPRWXUUOV-LBPRGKRZSA-N 1 0 378.494 3.674 20 30 GHEDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)cc1 ZINC000886688106 901228276 /nfs/dbraw/zinc/22/82/76/901228276.db2.gz KPXNNXJNPHBTLA-AWEZNQCLSA-N 1 0 389.546 3.893 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(F)cc2nc(C)c(C)nc21)C(C)C ZINC001144197047 901237446 /nfs/dbraw/zinc/23/74/46/901237446.db2.gz CQIAGNIAUYKCLU-FQEVSTJZSA-N 1 0 384.499 3.814 20 30 GHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1C#N ZINC000886827302 901288857 /nfs/dbraw/zinc/28/88/57/901288857.db2.gz IZSPPJTWAWGUJA-YLJYHZDGSA-N 1 0 384.524 3.531 20 30 GHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(C#N)cnc2c(Br)cccc21 ZINC000575855935 901392337 /nfs/dbraw/zinc/39/23/37/901392337.db2.gz BDPUCUJVIPAOSX-DZGCQCFKSA-N 1 0 385.309 3.932 20 30 GHEDRO C#CCC1([NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CCOCC1 ZINC000887123393 901445001 /nfs/dbraw/zinc/44/50/01/901445001.db2.gz NFBYFCUNNQGHEG-OAQYLSRUSA-N 1 0 382.529 3.506 20 30 GHEDRO C#CCC1([NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)CCOCC1 ZINC000887124794 901447842 /nfs/dbraw/zinc/44/78/42/901447842.db2.gz UKPIUYRASTWJQO-UHFFFAOYSA-N 1 0 375.266 3.766 20 30 GHEDRO C#CCC1([NH2+]CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1 ZINC000887125966 901447904 /nfs/dbraw/zinc/44/79/04/901447904.db2.gz QWHDJOAKZMDQTJ-JOCHJYFZSA-N 1 0 396.918 3.708 20 30 GHEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092854320 901517736 /nfs/dbraw/zinc/51/77/36/901517736.db2.gz FGNCXPJGXSBMBQ-DZIBYMRMSA-N 1 0 378.476 3.650 20 30 GHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)cc1OC ZINC000093010296 901523064 /nfs/dbraw/zinc/52/30/64/901523064.db2.gz FSUFWJCQUVJOJB-UHFFFAOYSA-N 1 0 384.476 3.556 20 30 GHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(C#N)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000576044501 901613125 /nfs/dbraw/zinc/61/31/25/901613125.db2.gz VUGPYDJTVCBTMM-IRLDBZIGSA-N 1 0 392.459 3.543 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1OCCCC#N ZINC000290235333 914588668 /nfs/dbraw/zinc/58/86/68/914588668.db2.gz YWLIUXYYPWEYKF-FQEVSTJZSA-N 1 0 385.483 3.909 20 30 GHEDRO N#CCC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000124455318 902072129 /nfs/dbraw/zinc/07/21/29/902072129.db2.gz OUKZTYNZVAMWSM-HSZRJFAPSA-N 1 0 391.515 3.666 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3nc(Cl)ccc13)CCO2 ZINC001144412064 902075532 /nfs/dbraw/zinc/07/55/32/902075532.db2.gz FFHHIGSHSPGIGN-OXJNMPFZSA-N 1 0 375.900 3.790 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(I)c1 ZINC001171181262 902132078 /nfs/dbraw/zinc/13/20/78/902132078.db2.gz JAGUEMIHAIAOKY-CYBMUJFWSA-N 1 0 376.241 3.884 20 30 GHEDRO Cn1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c(OCc2ccccc2)cc1=O ZINC001171181893 902135762 /nfs/dbraw/zinc/13/57/62/902135762.db2.gz FGKVGQWLYNRLEH-UHFFFAOYSA-N 1 0 399.450 3.860 20 30 GHEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001171190359 902252832 /nfs/dbraw/zinc/25/28/32/902252832.db2.gz SNYFTOOOEHUCDV-HCLVMJGWSA-N 1 0 399.535 3.637 20 30 GHEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001171195125 902282389 /nfs/dbraw/zinc/28/23/89/902282389.db2.gz OZEPKSUQTDNRFR-JTSKRJEESA-N 1 0 383.923 3.806 20 30 GHEDRO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000576869668 902321926 /nfs/dbraw/zinc/32/19/26/902321926.db2.gz YHYYANPMHKPGIC-MNEFBYGVSA-N 1 0 384.442 3.532 20 30 GHEDRO C#CCN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000845736948 902327398 /nfs/dbraw/zinc/32/73/98/902327398.db2.gz FEEPETQVOREZMY-UHFFFAOYSA-N 1 0 378.520 3.500 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)n(C2CC[NH+](C)CC2)n1 ZINC000576964650 902391105 /nfs/dbraw/zinc/39/11/05/902391105.db2.gz VWOYFOGGHXZPMP-HXUWFJFHSA-N 1 0 392.507 3.529 20 30 GHEDRO C#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2ccc(OC)cc2)C3)cc1 ZINC001144569509 902401167 /nfs/dbraw/zinc/40/11/67/902401167.db2.gz SOWXFUHQQDHGPQ-VWLOTQADSA-N 1 0 390.527 3.796 20 30 GHEDRO C#Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC001144572072 902403524 /nfs/dbraw/zinc/40/35/24/902403524.db2.gz OTDCFNSMWGUGLO-VWLOTQADSA-N 1 0 381.479 3.799 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171202480 902526320 /nfs/dbraw/zinc/52/63/20/902526320.db2.gz CFVWNOIYIGQGQT-LJQANCHMSA-N 1 0 381.520 3.990 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000263788723 902531249 /nfs/dbraw/zinc/53/12/49/902531249.db2.gz NBNLWFHZFOPEAG-UHFFFAOYSA-N 1 0 396.491 3.737 20 30 GHEDRO C[NH+]1CCC(Oc2ccc(CNc3nc4cc(Cl)ccn4c3C#N)cc2)CC1 ZINC000577202517 902586733 /nfs/dbraw/zinc/58/67/33/902586733.db2.gz CCMGEYYLAJHSCA-UHFFFAOYSA-N 1 0 395.894 3.944 20 30 GHEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007604 902587064 /nfs/dbraw/zinc/58/70/64/902587064.db2.gz RAEOLKHGQBLEJV-JOCHJYFZSA-N 1 0 378.451 3.665 20 30 GHEDRO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000846055079 902642231 /nfs/dbraw/zinc/64/22/31/902642231.db2.gz GFGPCVHYBYQOLV-LAUBAEHRSA-N 1 0 393.535 3.998 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]12 ZINC001171215946 902721176 /nfs/dbraw/zinc/72/11/76/902721176.db2.gz FBNDSYDBQRBJLJ-OWAUWMPXSA-N 1 0 387.527 3.754 20 30 GHEDRO N#Cc1cnn2cc(C[NH+]3CCC(c4ccc(C(F)(F)F)cc4)CC3)cnc12 ZINC000577395292 902737643 /nfs/dbraw/zinc/73/76/43/902737643.db2.gz JTFSXUHYQVHFBB-UHFFFAOYSA-N 1 0 385.393 3.999 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000600735000 902858283 /nfs/dbraw/zinc/85/82/83/902858283.db2.gz LREBOPWWHWBVLR-XMMPIXPASA-N 1 0 392.543 3.749 20 30 GHEDRO C=CCCO[C@@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000129943994 902874974 /nfs/dbraw/zinc/87/49/74/902874974.db2.gz FOUVENNVRIKAGN-AZUAARDMSA-N 1 0 382.508 3.558 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CCOCC1 ZINC000600753111 902876852 /nfs/dbraw/zinc/87/68/52/902876852.db2.gz AAHQSEOXVFGYEP-BEFAXECRSA-N 1 0 387.911 3.860 20 30 GHEDRO N#Cc1cc(F)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000130175225 902910420 /nfs/dbraw/zinc/91/04/20/902910420.db2.gz JZFLHEGVYUETPF-UHFFFAOYSA-N 1 0 375.444 3.540 20 30 GHEDRO CC[NH+]1CCC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000048161533 902981301 /nfs/dbraw/zinc/98/13/01/902981301.db2.gz TWJHLRPQQWJVHQ-UHFFFAOYSA-N 1 0 392.503 3.937 20 30 GHEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000048161956 902981432 /nfs/dbraw/zinc/98/14/32/902981432.db2.gz XHBROZSYZAYMCE-IBGZPJMESA-N 1 0 392.503 3.795 20 30 GHEDRO COc1ccc(NC(=O)NC2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171233023 903048926 /nfs/dbraw/zinc/04/89/26/903048926.db2.gz YSAARDYHXUJZLQ-QGZVFWFLSA-N 1 0 392.503 3.784 20 30 GHEDRO N#Cc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)c1 ZINC001171250605 903178561 /nfs/dbraw/zinc/17/85/61/903178561.db2.gz VOYJFTSUQKHDRL-FRIKZZABSA-N 1 0 389.499 3.753 20 30 GHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)s2)cc1 ZINC000264583316 903216898 /nfs/dbraw/zinc/21/68/98/903216898.db2.gz KAQSTIQSPCYBCM-GOSISDBHSA-N 1 0 395.532 3.698 20 30 GHEDRO N#CC1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC2(CC2)C1 ZINC000601028875 903245560 /nfs/dbraw/zinc/24/55/60/903245560.db2.gz CPJVHTZRKDGBLN-UHFFFAOYSA-N 1 0 380.492 3.524 20 30 GHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000132384271 903248024 /nfs/dbraw/zinc/24/80/24/903248024.db2.gz JLHXNSPSXSZAOW-ICSRJNTNSA-N 1 0 377.488 3.714 20 30 GHEDRO N#Cc1ccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)c(C(F)(F)F)c1 ZINC000577905202 903327526 /nfs/dbraw/zinc/32/75/26/903327526.db2.gz NPLGZJCZZQJCGM-UHFFFAOYSA-N 1 0 380.341 3.915 20 30 GHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)cc1 ZINC000601128689 903367204 /nfs/dbraw/zinc/36/72/04/903367204.db2.gz VHYLUGBERQOJFD-QGZVFWFLSA-N 1 0 386.540 3.625 20 30 GHEDRO N#Cc1ccc(C2([NH2+]Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CCC2)cc1 ZINC000847060025 903439244 /nfs/dbraw/zinc/43/92/44/903439244.db2.gz QXQSUJSNHFIPRQ-LJQANCHMSA-N 1 0 393.450 3.764 20 30 GHEDRO C=C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000134702045 903557629 /nfs/dbraw/zinc/55/76/29/903557629.db2.gz FTTUGBCKZJYXAE-NRFANRHFSA-N 1 0 378.516 3.619 20 30 GHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000578330798 903739814 /nfs/dbraw/zinc/73/98/14/903739814.db2.gz GUYRKABBDJFUFU-PKOBYXMFSA-N 1 0 394.450 3.999 20 30 GHEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001147286066 903755283 /nfs/dbraw/zinc/75/52/83/903755283.db2.gz CXRVAXXUJDDUHS-LJQANCHMSA-N 1 0 391.515 3.987 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000136486275 903786932 /nfs/dbraw/zinc/78/69/32/903786932.db2.gz FCDYQOKRKDNFHQ-KRWDZBQOSA-O 1 0 397.564 3.837 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000265508360 903933184 /nfs/dbraw/zinc/93/31/84/903933184.db2.gz ZCQSAQBMCNEQEW-UHFFFAOYSA-N 1 0 394.426 3.517 20 30 GHEDRO Cc1sc2nc(CN3CCCC3)nc(SCc3ncc(C#N)cn3)c2c1C ZINC000578626123 904014749 /nfs/dbraw/zinc/01/47/49/904014749.db2.gz ZGYOESRREIQOAW-UHFFFAOYSA-N 1 0 396.545 3.858 20 30 GHEDRO C=CCOc1ccc(C(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001148466528 904079536 /nfs/dbraw/zinc/07/95/36/904079536.db2.gz RTFPQRMORYKVJV-QGZVFWFLSA-N 1 0 382.508 3.505 20 30 GHEDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1OCCCC#N ZINC000151422017 904129424 /nfs/dbraw/zinc/12/94/24/904129424.db2.gz WEDAIGMNQWKBHN-XLIONFOSSA-N 1 0 376.522 3.522 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)c1 ZINC000779105342 904230074 /nfs/dbraw/zinc/23/00/74/904230074.db2.gz WIEYXJYHNQGUML-NFBKMPQASA-N 1 0 377.488 3.951 20 30 GHEDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000290715501 914797205 /nfs/dbraw/zinc/79/72/05/914797205.db2.gz OEOIKLWBZSYSOK-INIZCTEOSA-N 1 0 397.523 3.742 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171365297 904354543 /nfs/dbraw/zinc/35/45/43/904354543.db2.gz HQMUCVPLLADYFV-KRWDZBQOSA-N 1 0 376.447 3.543 20 30 GHEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000579126244 904364999 /nfs/dbraw/zinc/36/49/99/904364999.db2.gz KWXXTVGRYFKCLB-VFNWGFHPSA-N 1 0 383.442 3.548 20 30 GHEDRO COc1ccc(C)cc1C1(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCOCC1 ZINC000104179371 904548809 /nfs/dbraw/zinc/54/88/09/904548809.db2.gz CJRAGMGRUBLHBG-UHFFFAOYSA-N 1 0 393.531 3.967 20 30 GHEDRO CCc1cccc(NC(=O)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000104183942 904550097 /nfs/dbraw/zinc/55/00/97/904550097.db2.gz KDPJOXVICKJGJM-UHFFFAOYSA-N 1 0 380.370 3.513 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000187570466 904564682 /nfs/dbraw/zinc/56/46/82/904564682.db2.gz CSXOCFAKGLJWMI-AWEZNQCLSA-N 1 0 379.382 3.646 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483041 904727555 /nfs/dbraw/zinc/72/75/55/904727555.db2.gz QYNRRJBOMOJNTL-STZQEDGTSA-N 1 0 377.475 3.896 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171532421 904756278 /nfs/dbraw/zinc/75/62/78/904756278.db2.gz BXBRRMFGCUUARN-HNNXBMFYSA-N 1 0 394.437 3.682 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000779157766 904812603 /nfs/dbraw/zinc/81/26/03/904812603.db2.gz RZGJWTHCEXJPKH-MRXNPFEDSA-N 1 0 376.928 3.726 20 30 GHEDRO C=CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171728482 904954934 /nfs/dbraw/zinc/95/49/34/904954934.db2.gz OHAKKKBLMLZHFR-OIBXWCBGSA-N 1 0 378.516 3.580 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1C[C@H](C)N(Cc3ccccc3)C1)CC2 ZINC001171750346 904977296 /nfs/dbraw/zinc/97/72/96/904977296.db2.gz KSIVCVLPXDIUKJ-SSPYTLHUSA-N 1 0 381.564 3.683 20 30 GHEDRO CSc1ccc(CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000890451817 905059953 /nfs/dbraw/zinc/05/99/53/905059953.db2.gz DSSZVSHMKSXYOP-UHFFFAOYSA-N 1 0 382.533 3.683 20 30 GHEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCCN(C(=O)c3ccccc3)CC1)C2 ZINC001171892743 905126318 /nfs/dbraw/zinc/12/63/18/905126318.db2.gz DKMMVRBUFXASAI-GPXNEJASSA-N 1 0 398.547 3.507 20 30 GHEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001172182305 905398014 /nfs/dbraw/zinc/39/80/14/905398014.db2.gz KXATUFPFKXNOEY-WXFUMESZSA-N 1 0 399.538 3.972 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001172302351 905455336 /nfs/dbraw/zinc/45/53/36/905455336.db2.gz IFAWJGVQFYDSCK-YOEHRIQHSA-N 1 0 379.451 3.724 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172306824 905463280 /nfs/dbraw/zinc/46/32/80/905463280.db2.gz BDHSFGMGKLDCPU-IBGZPJMESA-N 1 0 381.520 3.990 20 30 GHEDRO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172308460 905465561 /nfs/dbraw/zinc/46/55/61/905465561.db2.gz NHKNJMDZXWYBGE-WWGKXEARSA-N 1 0 397.544 3.703 20 30 GHEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001172312565 905469283 /nfs/dbraw/zinc/46/92/83/905469283.db2.gz GZGREYHRHZYRDU-YOEHRIQHSA-N 1 0 390.409 3.841 20 30 GHEDRO CC(C)OCC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001172451648 905570552 /nfs/dbraw/zinc/57/05/52/905570552.db2.gz SEKOGHKTULYKNN-REWPJTCUSA-N 1 0 385.552 3.681 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)C(C)(C)C1 ZINC000801584719 921167218 /nfs/dbraw/zinc/16/72/18/921167218.db2.gz HATXNWHRONKPIH-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO C#CCCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 ZINC001172690757 905742201 /nfs/dbraw/zinc/74/22/01/905742201.db2.gz GAAZDGDSXLTWRX-OAQYLSRUSA-N 1 0 396.556 3.898 20 30 GHEDRO COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)CC1 ZINC001172800637 905873241 /nfs/dbraw/zinc/87/32/41/905873241.db2.gz ZGVVDFISGFQUJA-ZWKOTPCHSA-N 1 0 386.492 3.532 20 30 GHEDRO CCCC[NH+](CCCC)CCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968296 906029190 /nfs/dbraw/zinc/02/91/90/906029190.db2.gz KLPYFFZLDCHGNA-MOPGFXCFSA-N 1 0 380.577 3.770 20 30 GHEDRO COc1ccc(CC(C)(C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172974725 906038908 /nfs/dbraw/zinc/03/89/08/906038908.db2.gz RZBLYPSGJPFEAE-ROUUACIJSA-N 1 0 387.524 3.898 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)C[C@H]1C#N ZINC001172979576 906042517 /nfs/dbraw/zinc/04/25/17/906042517.db2.gz DPRRFKJYFWRGIE-MOPGFXCFSA-N 1 0 381.476 3.927 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)C[C@H]1C#N ZINC001172977416 906042703 /nfs/dbraw/zinc/04/27/03/906042703.db2.gz FWVCPEHGQPDQME-ACRUOGEOSA-N 1 0 398.551 3.532 20 30 GHEDRO COc1c(F)cccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977868 906044343 /nfs/dbraw/zinc/04/43/43/906044343.db2.gz GPXAUERMCXWHOK-KKUMJFAQSA-N 1 0 377.460 3.777 20 30 GHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1OC ZINC000628296492 906045864 /nfs/dbraw/zinc/04/58/64/906045864.db2.gz NLJJNDCEUIFABH-FQEVSTJZSA-N 1 0 395.927 3.571 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)C[C@H]1C#N ZINC001172984540 906049491 /nfs/dbraw/zinc/04/94/91/906049491.db2.gz LXWPHVGGVRFQCM-WSTZPKSXSA-N 1 0 385.508 3.821 20 30 GHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(NS(C)(=O)=O)cc1 ZINC000177822027 906222379 /nfs/dbraw/zinc/22/23/79/906222379.db2.gz ZDNAHUJXYVCHJU-HNNXBMFYSA-N 1 0 389.546 3.514 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001173229475 906312642 /nfs/dbraw/zinc/31/26/42/906312642.db2.gz VBNDBPLQXGOTRF-DYESRHJHSA-N 1 0 387.480 3.636 20 30 GHEDRO C=CCOC1CCC([NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)CC1 ZINC001173322068 906370204 /nfs/dbraw/zinc/37/02/04/906370204.db2.gz YCPSUGUIUSCJRD-UHFFFAOYSA-N 1 0 382.548 3.797 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001173323979 906371956 /nfs/dbraw/zinc/37/19/56/906371956.db2.gz KKHFKRXIPZAYDM-JRJYRQGGSA-N 1 0 386.536 3.845 20 30 GHEDRO Cc1nc(Cn2c(=O)ccc3c2CC[C@H]([NH2+]C2CCC(CC#N)CC2)C3)cs1 ZINC001173326411 906373690 /nfs/dbraw/zinc/37/36/90/906373690.db2.gz YYIJZNQINYCHQY-KVZIAJEVSA-N 1 0 396.560 3.581 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]([NH2+]C3CCC(CC#N)CC3)CO2)C1 ZINC001173330342 906375338 /nfs/dbraw/zinc/37/53/38/906375338.db2.gz QJLZLAUTADZSCU-XVAHUTHZSA-N 1 0 377.529 3.607 20 30 GHEDRO C=CCOC1CCC([NH2+][C@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001173314176 906387117 /nfs/dbraw/zinc/38/71/17/906387117.db2.gz LGFMVRJRXPQFNT-JLHLRHAYSA-N 1 0 394.556 3.648 20 30 GHEDRO C=CCOC1CCC([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)CC1 ZINC001173319998 906390681 /nfs/dbraw/zinc/39/06/81/906390681.db2.gz DHJYHZHDZNGJFI-QLOJAFMTSA-N 1 0 392.494 3.528 20 30 GHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173374660 906403093 /nfs/dbraw/zinc/40/30/93/906403093.db2.gz QIQHKNPTDOFLMQ-VQHPVUNQSA-N 1 0 380.529 3.737 20 30 GHEDRO Cc1cc(C)cc(OC[C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173422506 906456174 /nfs/dbraw/zinc/45/61/74/906456174.db2.gz REVFWORPGZKNIO-LJQANCHMSA-N 1 0 391.515 3.837 20 30 GHEDRO C[C@@H]([NH3+])Cc1cn(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2ccccc12 ZINC001173425996 906461644 /nfs/dbraw/zinc/46/16/44/906461644.db2.gz IHTZTBXPCVFDLL-QGZVFWFLSA-N 1 0 386.499 3.880 20 30 GHEDRO COc1ccc(CC(C)(C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173427000 906463331 /nfs/dbraw/zinc/46/33/31/906463331.db2.gz JXFQYSGDYQXDOZ-UHFFFAOYSA-N 1 0 391.515 3.782 20 30 GHEDRO COc1cccc(CC(C)(C)[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001173428010 906464865 /nfs/dbraw/zinc/46/48/65/906464865.db2.gz VXLBCATYWJJWEF-UHFFFAOYSA-N 1 0 391.515 3.782 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]C3(c4ccccc4F)CCC3)CC2)cc1 ZINC001173428968 906465074 /nfs/dbraw/zinc/46/50/74/906465074.db2.gz YXQHGTIGQYLQEF-UHFFFAOYSA-N 1 0 377.463 3.971 20 30 GHEDRO N#Cc1ccc(C(=O)N2CCC(n3cncc3C[NH2+]Cc3ccccc3)CC2)cc1 ZINC001173435199 906470009 /nfs/dbraw/zinc/47/00/09/906470009.db2.gz YRLWGDOWWUDJFO-UHFFFAOYSA-N 1 0 399.498 3.522 20 30 GHEDRO CC(C)(C)OC(=O)N1CCCn2cnc(C[NH2+]C3CCC(C)(C#N)CC3)c2C1 ZINC001173588312 906545035 /nfs/dbraw/zinc/54/50/35/906545035.db2.gz AUMYIKGMKWMPNZ-UHFFFAOYSA-N 1 0 387.528 3.586 20 30 GHEDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173592851 906546919 /nfs/dbraw/zinc/54/69/19/906546919.db2.gz BSRLKHHPJIOFSJ-FBPXKMNZSA-N 1 0 377.529 3.561 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)COCC[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173592741 906547428 /nfs/dbraw/zinc/54/74/28/906547428.db2.gz ANRDJWWCSLLXAB-FQUBMZHMSA-N 1 0 391.556 3.808 20 30 GHEDRO CC1(C#N)CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)CC1 ZINC001173594858 906548751 /nfs/dbraw/zinc/54/87/51/906548751.db2.gz MZGKYRUHISQCOX-LPIJFZEYSA-N 1 0 383.536 3.942 20 30 GHEDRO COCC[N@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173601609 906554125 /nfs/dbraw/zinc/55/41/25/906554125.db2.gz WSDIXPSNISLESX-IDYZSHNDSA-N 1 0 379.545 3.807 20 30 GHEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179695731 906564046 /nfs/dbraw/zinc/56/40/46/906564046.db2.gz BXLAHLNLADENNI-SFHVURJKSA-N 1 0 392.503 3.654 20 30 GHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179754712 906584622 /nfs/dbraw/zinc/58/46/22/906584622.db2.gz AAAUZDFAJYZYNR-UHFFFAOYSA-N 1 0 391.519 3.790 20 30 GHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179769215 906591282 /nfs/dbraw/zinc/59/12/82/906591282.db2.gz TXZJOQREZRQYLA-HNNXBMFYSA-N 1 0 376.460 3.586 20 30 GHEDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001173654667 906640729 /nfs/dbraw/zinc/64/07/29/906640729.db2.gz UXPVMIJJSRPBNX-QLVMHMETSA-N 1 0 395.503 3.816 20 30 GHEDRO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001173727821 906693719 /nfs/dbraw/zinc/69/37/19/906693719.db2.gz GIMRDAMNSVCCQF-VGSWGCGISA-N 1 0 378.472 3.819 20 30 GHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000181224526 906947922 /nfs/dbraw/zinc/94/79/22/906947922.db2.gz MIYAFWNFGWBQIU-APWZRJJASA-N 1 0 383.517 3.933 20 30 GHEDRO C#Cc1cccc(N(CC)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000078483436 907052104 /nfs/dbraw/zinc/05/21/04/907052104.db2.gz WSPHIWMIWRSBAZ-UHFFFAOYSA-N 1 0 375.516 3.865 20 30 GHEDRO CC(C)N(C)c1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cn1 ZINC000191539753 907057369 /nfs/dbraw/zinc/05/73/69/907057369.db2.gz RQYBNNUPQYGPAY-UHFFFAOYSA-N 1 0 379.508 3.673 20 30 GHEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001174574484 907091607 /nfs/dbraw/zinc/09/16/07/907091607.db2.gz LTFPRXRAPHFAQE-PKTZIBPZSA-N 1 0 391.515 3.615 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)cc1 ZINC001174844517 907251695 /nfs/dbraw/zinc/25/16/95/907251695.db2.gz YFYFKJOYQQBJDS-OAQYLSRUSA-N 1 0 379.479 3.674 20 30 GHEDRO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(OCC#N)cc1 ZINC000183082329 907325768 /nfs/dbraw/zinc/32/57/68/907325768.db2.gz ZEJFQRBFESVXJQ-SFHVURJKSA-N 1 0 379.504 3.966 20 30 GHEDRO N#Cc1ccc(CN(CCO)Cc2cc(Br)ccc2F)cc1F ZINC000191990640 907349326 /nfs/dbraw/zinc/34/93/26/907349326.db2.gz NVCZGNWNACJFSZ-UHFFFAOYSA-N 1 0 381.220 3.593 20 30 GHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccccc1SCC#N)C1CC1 ZINC000773452958 907370524 /nfs/dbraw/zinc/37/05/24/907370524.db2.gz XOQWMHBDNGGYFM-HXUWFJFHSA-N 1 0 379.529 3.943 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000184026443 907502309 /nfs/dbraw/zinc/50/23/09/907502309.db2.gz MSQCLNXEXBKSME-GOSISDBHSA-N 1 0 396.478 3.667 20 30 GHEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000184475770 907589388 /nfs/dbraw/zinc/58/93/88/907589388.db2.gz NZKKNFJHGZXAAM-GOSISDBHSA-N 1 0 380.492 3.512 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)CC1 ZINC000773523112 907732304 /nfs/dbraw/zinc/73/23/04/907732304.db2.gz HKXCCNMTNCPSMT-UHFFFAOYSA-N 1 0 389.471 3.604 20 30 GHEDRO C[NH+](C)CCNC(=O)c1ccc(Nc2c(C#N)cccc2C(F)(F)F)cc1 ZINC001175812141 907768607 /nfs/dbraw/zinc/76/86/07/907768607.db2.gz QPNPNOXCAGEEBH-UHFFFAOYSA-N 1 0 376.382 3.612 20 30 GHEDRO C#CC[N@@H+](CCN1CCCc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176130087 907952040 /nfs/dbraw/zinc/95/20/40/907952040.db2.gz RTUSBDZPQQGMBC-UHFFFAOYSA-N 1 0 397.563 3.774 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2c(Br)cccc2C#N)cn1 ZINC001176356545 908070404 /nfs/dbraw/zinc/07/04/04/908070404.db2.gz ZHBYKKILRRLVIC-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO C[NH+](C)CCCOc1ccc(Nc2cc(C#N)ccc2Br)cn1 ZINC001176359541 908071639 /nfs/dbraw/zinc/07/16/39/908071639.db2.gz IRYYYQFDGPXEIZ-UHFFFAOYSA-N 1 0 375.270 3.790 20 30 GHEDRO CCOCc1ccc(CNC(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001176578124 908183229 /nfs/dbraw/zinc/18/32/29/908183229.db2.gz KMKHXMYWFKBEIH-UHFFFAOYSA-N 1 0 391.515 3.591 20 30 GHEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001176850826 908294540 /nfs/dbraw/zinc/29/45/40/908294540.db2.gz ZOFKEUQCIDCRBF-SFHVURJKSA-N 1 0 398.890 3.546 20 30 GHEDRO C=CC[C@@H](C(=O)OC)[NH+]1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001177003427 908358469 /nfs/dbraw/zinc/35/84/69/908358469.db2.gz YMVNAZYYYQWRPX-SJORKVTESA-N 1 0 380.529 3.511 20 30 GHEDRO CC(=O)OCc1cccc(Cl)c1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001212777279 908482323 /nfs/dbraw/zinc/48/23/23/908482323.db2.gz CYJDSFMGRJUGML-UHFFFAOYSA-N 1 0 398.894 3.770 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000773698857 908696374 /nfs/dbraw/zinc/69/63/74/908696374.db2.gz DIBDFYRDDVEVNS-ACRUOGEOSA-N 1 0 383.536 3.769 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(C(=O)c2cccs2)cc1 ZINC001177698316 908717569 /nfs/dbraw/zinc/71/75/69/908717569.db2.gz OTQLHRMUDVEGHG-APWZRJJASA-N 1 0 382.529 3.849 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001177804142 908763417 /nfs/dbraw/zinc/76/34/17/908763417.db2.gz LTLNDNQYFHAYFZ-QGZVFWFLSA-N 1 0 380.916 3.991 20 30 GHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000192745530 908820946 /nfs/dbraw/zinc/82/09/46/908820946.db2.gz ZROZNHUIZRWDNN-KNBMTAEXSA-N 1 0 381.476 3.853 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC001178208731 908942686 /nfs/dbraw/zinc/94/26/86/908942686.db2.gz VKNXTBAIXAEUMI-UHFFFAOYSA-N 1 0 393.874 3.831 20 30 GHEDRO N#Cc1ccc(-n2ccc(NCc3ccnn3-c3cc[nH+]cc3)n2)c(Cl)c1 ZINC001178291306 908990263 /nfs/dbraw/zinc/99/02/63/908990263.db2.gz UNIYTSNEUGFNLO-UHFFFAOYSA-N 1 0 375.823 3.590 20 30 GHEDRO Cc1[nH]c(NC(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)c(C#N)c1C ZINC001178328772 909020069 /nfs/dbraw/zinc/02/00/69/909020069.db2.gz JKLYABPRLAJGSP-FCHUYYIVSA-N 1 0 399.498 3.753 20 30 GHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@@H+]1C ZINC000266335942 909085752 /nfs/dbraw/zinc/08/57/52/909085752.db2.gz FPQZDFPNLLCYKG-PBHICJAKSA-N 1 0 383.521 3.552 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(C)cc2Br)C1=O ZINC001276025346 921473705 /nfs/dbraw/zinc/47/37/05/921473705.db2.gz MQXSMQQDFNVTEJ-LJQANCHMSA-N 1 0 377.326 3.901 20 30 GHEDRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2csc(C#N)c2)cc1Br ZINC001178742999 909212468 /nfs/dbraw/zinc/21/24/68/909212468.db2.gz YIRLSMFEXMXCPJ-AWEZNQCLSA-N 1 0 379.323 3.632 20 30 GHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)c1 ZINC000266567460 909218832 /nfs/dbraw/zinc/21/88/32/909218832.db2.gz KRVYAVLJEQBVQH-FQEVSTJZSA-N 1 0 383.879 3.596 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000267371175 909469398 /nfs/dbraw/zinc/46/93/98/909469398.db2.gz KFWMDAWRROIQKO-AVRDEDQJSA-N 1 0 376.504 3.610 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC001179579157 909590284 /nfs/dbraw/zinc/59/02/84/909590284.db2.gz LNPXNXHIZLFUFW-DEOSSOPVSA-N 1 0 384.527 3.786 20 30 GHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nc2ccccc2o1 ZINC000268288276 909821303 /nfs/dbraw/zinc/82/13/03/909821303.db2.gz ATFYTCPYVYRRCC-UHFFFAOYSA-N 1 0 380.473 3.710 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001179988038 909855022 /nfs/dbraw/zinc/85/50/22/909855022.db2.gz PUYCXPALXIRRNS-ZDUSSCGKSA-N 1 0 378.797 3.807 20 30 GHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245808398 909936916 /nfs/dbraw/zinc/93/69/16/909936916.db2.gz ZAGKVKPCHDYRHC-WBVHZDCISA-N 1 0 397.441 3.600 20 30 GHEDRO Cc1ccccc1O[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001180527986 910202233 /nfs/dbraw/zinc/20/22/33/910202233.db2.gz SYLJCIUFSCQLII-STZQEDGTSA-N 1 0 391.515 3.933 20 30 GHEDRO CCCCCCC[C@H](C)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001181133472 910562063 /nfs/dbraw/zinc/56/20/63/910562063.db2.gz SZYIVZFAQLXVJG-IBGZPJMESA-N 1 0 387.568 3.619 20 30 GHEDRO C[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000271317105 910859029 /nfs/dbraw/zinc/85/90/29/910859029.db2.gz CWGHTNZWPQWHLG-SFHVURJKSA-N 1 0 391.519 3.962 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC2(CCOCC2)C1 ZINC000720239593 911102013 /nfs/dbraw/zinc/10/20/13/911102013.db2.gz VURKHZKMVSPTCQ-INIZCTEOSA-N 1 0 391.537 3.516 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC(C)(C)CCC#N)CC2(CCOCC2)C1 ZINC000720237782 911102239 /nfs/dbraw/zinc/10/22/39/911102239.db2.gz MHFXMFZTKXBKBH-KRWDZBQOSA-N 1 0 379.545 3.712 20 30 GHEDRO CC[C@@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)c1ccc(C#N)cc1 ZINC000774110050 911398750 /nfs/dbraw/zinc/39/87/50/911398750.db2.gz BHLPBMBJOWUIBI-XMMPIXPASA-N 1 0 392.547 3.820 20 30 GHEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C#N)cc1 ZINC000774133170 911437443 /nfs/dbraw/zinc/43/74/43/911437443.db2.gz DCWPUWBEGUHMDQ-IFMALSPDSA-N 1 0 376.504 3.501 20 30 GHEDRO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCCCOc2ccccc2C#N)C1 ZINC001182344663 911518174 /nfs/dbraw/zinc/51/81/74/911518174.db2.gz KJDYZQOKYMACSZ-JOCHJYFZSA-N 1 0 391.515 3.664 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000283482594 911526453 /nfs/dbraw/zinc/52/64/53/911526453.db2.gz XFEDXXWJRSEORY-SCLBCKFNSA-N 1 0 375.266 3.736 20 30 GHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000092481302 911564657 /nfs/dbraw/zinc/56/46/57/911564657.db2.gz RAPYSRDNSFBQLT-UHFFFAOYSA-N 1 0 397.567 3.633 20 30 GHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ncccc3C(F)(F)F)CC2)nc1 ZINC000092853933 911863509 /nfs/dbraw/zinc/86/35/09/911863509.db2.gz JFJKPZXILUOFKS-UHFFFAOYSA-N 1 0 376.382 3.847 20 30 GHEDRO CC(C)(Cc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001182607291 911921843 /nfs/dbraw/zinc/92/18/43/911921843.db2.gz VLLSACWXAUQCGC-UHFFFAOYSA-N 1 0 375.516 3.930 20 30 GHEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)c1Br ZINC001275003206 912117851 /nfs/dbraw/zinc/11/78/51/912117851.db2.gz LIMXOOLLKMYEGU-IAGOWNOFSA-N 1 0 377.326 3.899 20 30 GHEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1 ZINC001183038761 912210366 /nfs/dbraw/zinc/21/03/66/912210366.db2.gz IGOMYSWQIDQGJV-UHFFFAOYSA-N 1 0 382.508 3.769 20 30 GHEDRO C[C@H]1[C@@H](CC(=O)Nc2[nH]cnc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186933435 914880686 /nfs/dbraw/zinc/88/06/86/914880686.db2.gz CIPSVPSMVKDDBR-LPHOPBHVSA-N 1 0 385.471 3.720 20 30 GHEDRO C[C@@H]1[C@H](CC(=O)Nc2c[nH]nc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186935912 914883676 /nfs/dbraw/zinc/88/36/76/914883676.db2.gz LUJCEZOGTFWFOO-VQIMIIECSA-N 1 0 385.471 3.720 20 30 GHEDRO C[C@H]1[C@@H](CC(=O)Nc2c[nH]nc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186935908 914883942 /nfs/dbraw/zinc/88/39/42/914883942.db2.gz LUJCEZOGTFWFOO-LPHOPBHVSA-N 1 0 385.471 3.720 20 30 GHEDRO C[C@H]1[C@H](CC(=O)Nc2cn(C)nc2C#N)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186938124 914885249 /nfs/dbraw/zinc/88/52/49/914885249.db2.gz WCEIRZKVORCKRU-FXAWDEMLSA-N 1 0 399.498 3.730 20 30 GHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802010985 921752451 /nfs/dbraw/zinc/75/24/51/921752451.db2.gz KWYABQZDLKEELK-GCJKJVERSA-N 1 0 393.572 3.523 20 30 GHEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccsc1 ZINC000303872111 915229892 /nfs/dbraw/zinc/22/98/92/915229892.db2.gz BTLSMCRWIBFVLG-KRWDZBQOSA-N 1 0 388.537 3.719 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000303878176 915236740 /nfs/dbraw/zinc/23/67/40/915236740.db2.gz JAZPHYIUGJCYPF-UHFFFAOYSA-N 1 0 390.487 3.611 20 30 GHEDRO C[C@@H](NC(=[NH2+])NCCCN(C)CC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000303878957 915237807 /nfs/dbraw/zinc/23/78/07/915237807.db2.gz GGLNYOVXKVVREW-SNVBAGLBSA-N 1 0 385.261 3.843 20 30 GHEDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000366815236 921759587 /nfs/dbraw/zinc/75/95/87/921759587.db2.gz ZOJOGAJSDORTDC-DNVFCKCGSA-N 1 0 394.519 3.622 20 30 GHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000303882700 915294538 /nfs/dbraw/zinc/29/45/38/915294538.db2.gz IHWLAKVGUKEOTB-GOSISDBHSA-N 1 0 384.490 3.715 20 30 GHEDRO COc1cc(OC)c(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(OC)c1 ZINC000303885852 915298685 /nfs/dbraw/zinc/29/86/85/915298685.db2.gz NLGHYQHKVJZNAQ-UHFFFAOYSA-N 1 0 399.369 3.538 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)cs3)CC2)C1=O ZINC001275610747 915301596 /nfs/dbraw/zinc/30/15/96/915301596.db2.gz KYKGLHDPGXOAAZ-QGZVFWFLSA-N 1 0 383.355 3.901 20 30 GHEDRO [NH2+]=C(NCc1ccc(-n2cccn2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303902467 915305128 /nfs/dbraw/zinc/30/51/28/915305128.db2.gz UAWKTZMUTXISAJ-UHFFFAOYSA-N 1 0 375.354 3.698 20 30 GHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000303906161 915306664 /nfs/dbraw/zinc/30/66/64/915306664.db2.gz ZTHCWAOWHGWSKV-FQEVSTJZSA-N 1 0 396.491 3.518 20 30 GHEDRO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2N1C ZINC001187631171 915399414 /nfs/dbraw/zinc/39/94/14/915399414.db2.gz IJQALLWYQMIARQ-KAGYGMCKSA-N 1 0 379.435 3.788 20 30 GHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000291979762 915455279 /nfs/dbraw/zinc/45/52/79/915455279.db2.gz WFKLEVKITQHVPC-HSZRJFAPSA-N 1 0 380.488 3.933 20 30 GHEDRO CCN(CC)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1cccc(OC)c1 ZINC000304479035 915516968 /nfs/dbraw/zinc/51/69/68/915516968.db2.gz IUICZDNHELXXDL-NHCUHLMSSA-N 1 0 396.535 3.506 20 30 GHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NC2CCC2)cc1 ZINC000292274203 915595584 /nfs/dbraw/zinc/59/55/84/915595584.db2.gz HHTMOQSEYUCGLM-UHFFFAOYSA-O 1 0 381.521 3.648 20 30 GHEDRO Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c(OCC(F)(F)F)c1 ZINC000304936630 915792933 /nfs/dbraw/zinc/79/29/33/915792933.db2.gz JNYXLTWFVXHFPK-INIZCTEOSA-N 1 0 393.409 3.864 20 30 GHEDRO CCC[NH+]1C[C@H]2CN(C(=O)c3ccc(-c4ccc(C#N)c(F)c4)cc3)C[C@@H]2C1 ZINC001188701074 916122706 /nfs/dbraw/zinc/12/27/06/916122706.db2.gz QNYAJTCLQFHYQI-SFTDATJTSA-N 1 0 377.463 3.778 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3[nH]c(CCCC)nc3Cl)CC2)C1=O ZINC001275708557 916243766 /nfs/dbraw/zinc/24/37/66/916243766.db2.gz ATUNMTGXHXPJTL-FQEVSTJZSA-N 1 0 378.948 3.796 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)C1 ZINC000293559182 916266569 /nfs/dbraw/zinc/26/65/69/916266569.db2.gz LZPAGVXLHXZQIE-CZUORRHYSA-N 1 0 381.289 3.962 20 30 GHEDRO CC1CCC2(CC1)OC[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)O2 ZINC000305830110 916461451 /nfs/dbraw/zinc/46/14/51/916461451.db2.gz OJTXHVPVIMEUHM-JZLYGMAVSA-N 1 0 387.402 3.634 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(SCC#N)c1 ZINC000361364731 916665857 /nfs/dbraw/zinc/66/58/57/916665857.db2.gz MFMXQMOOIXMUCV-LAUBAEHRSA-N 1 0 379.529 3.943 20 30 GHEDRO C#C[C@H]([NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)[C@H]1CCCO1 ZINC000775342962 917060369 /nfs/dbraw/zinc/06/03/69/917060369.db2.gz UKUDEZDUIVNXOR-VQTJNVASSA-N 1 0 381.472 3.553 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@@H](c1ccccc1)C1CCOCC1)c1ccccc1 ZINC000362258278 917170224 /nfs/dbraw/zinc/17/02/24/917170224.db2.gz QWBJDUBGBZYPMM-QHCPKHFHSA-N 1 0 377.488 3.691 20 30 GHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000362963666 917564116 /nfs/dbraw/zinc/56/41/16/917564116.db2.gz CCKOUBKLRJABHF-OZOXKJRCSA-N 1 0 398.547 3.669 20 30 GHEDRO CCCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001190853754 917604822 /nfs/dbraw/zinc/60/48/22/917604822.db2.gz BYJVGZKTMBGUCL-HSZRJFAPSA-N 1 0 390.531 3.873 20 30 GHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1C ZINC000775418475 917629627 /nfs/dbraw/zinc/62/96/27/917629627.db2.gz JUGWXNCLCFSVIQ-URXFXBBRSA-N 1 0 391.515 3.918 20 30 GHEDRO CCCCCCCCNC(=O)N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001191055328 917727495 /nfs/dbraw/zinc/72/74/95/917727495.db2.gz PDFCUYKTYNYLCW-UHFFFAOYSA-N 1 0 395.588 3.796 20 30 GHEDRO C=CCCn1cc(C[NH2+][C@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000653663834 918397279 /nfs/dbraw/zinc/39/72/79/918397279.db2.gz OYMPEPJPBWNKBJ-RBUKOAKNSA-N 1 0 377.895 3.572 20 30 GHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC001192202305 918497296 /nfs/dbraw/zinc/49/72/96/918497296.db2.gz ZRQSGNQPGFAGRB-LEWJYISDSA-N 1 0 380.488 3.958 20 30 GHEDRO N#CCSCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000297043067 919000727 /nfs/dbraw/zinc/00/07/27/919000727.db2.gz UUROOTCQLHNEPT-NRFANRHFSA-N 1 0 385.577 3.927 20 30 GHEDRO C#CCCOc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000297427259 919324360 /nfs/dbraw/zinc/32/43/60/919324360.db2.gz HQBRJYCXXWPXNG-UHFFFAOYSA-N 1 0 391.515 3.871 20 30 GHEDRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000115598816 919456961 /nfs/dbraw/zinc/45/69/61/919456961.db2.gz VHKNTQBKDAJTND-QGZVFWFLSA-N 1 0 376.287 3.959 20 30 GHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1C#N ZINC000116139147 919497357 /nfs/dbraw/zinc/49/73/57/919497357.db2.gz YYMKGBCWGRDAMQ-UHFFFAOYSA-N 1 0 384.549 3.643 20 30 GHEDRO C[NH+](C)CCn1ccc(NCc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000119760063 919652867 /nfs/dbraw/zinc/65/28/67/919652867.db2.gz LZADYGHUGQWEJW-UHFFFAOYSA-N 1 0 375.476 3.507 20 30 GHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000364724018 919907430 /nfs/dbraw/zinc/90/74/30/919907430.db2.gz PMJDYTZOHQAOHU-NQIIRXRSSA-N 1 0 381.520 3.592 20 30 GHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000800790644 920464203 /nfs/dbraw/zinc/46/42/03/920464203.db2.gz PTDVBFNOUFEONT-DIWDRYHZSA-N 1 0 393.531 3.891 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)c2ccccc2C#N)[C@@H]1c1cccs1 ZINC000900826156 920639520 /nfs/dbraw/zinc/63/95/20/920639520.db2.gz LUGOZFRRSYDMDS-MAUKXSAKSA-N 1 0 389.471 3.911 20 30 GHEDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1=O ZINC001275980065 920690060 /nfs/dbraw/zinc/69/00/60/920690060.db2.gz OAGSEUCITCKTQQ-KUHUBIRLSA-N 1 0 390.325 3.544 20 30 GHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000298670846 920789129 /nfs/dbraw/zinc/78/91/29/920789129.db2.gz MQNIFYWHINLTFT-UHFFFAOYSA-N 1 0 399.004 3.517 20 30 GHEDRO N#CC(CC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)(c1ccccc1)c1ccccc1 ZINC000365638819 921036891 /nfs/dbraw/zinc/03/68/91/921036891.db2.gz WWBRNMRQRWPRBB-NZQKXSOJSA-N 1 0 387.527 3.877 20 30 GHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000367220205 921980139 /nfs/dbraw/zinc/98/01/39/921980139.db2.gz RWCQISLYUJSEQO-UZLBHIALSA-N 1 0 397.954 3.531 20 30 GHEDRO N#CCSc1ccccc1NC(=O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367297032 922021668 /nfs/dbraw/zinc/02/16/68/922021668.db2.gz VVVZWRJSEXOVBO-UHFFFAOYSA-N 1 0 388.496 3.902 20 30 GHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000367632359 922241397 /nfs/dbraw/zinc/24/13/97/922241397.db2.gz KPXJGOWXIDNLNL-NRFANRHFSA-N 1 0 383.879 3.908 20 30 GHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCn3cncc3C2)cc1 ZINC000368116345 922484046 /nfs/dbraw/zinc/48/40/46/922484046.db2.gz VIUHBZOEBMHYRV-UHFFFAOYSA-N 1 0 389.415 3.603 20 30 GHEDRO CC[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cccc(C#N)c1 ZINC000902902701 922588516 /nfs/dbraw/zinc/58/85/16/922588516.db2.gz IHGOCEPPJJVLMX-QFIPXVFZSA-N 1 0 376.504 3.819 20 30 GHEDRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368514744 922722461 /nfs/dbraw/zinc/72/24/61/922722461.db2.gz QVEFZAAERALEJM-UHFFFAOYSA-N 1 0 398.894 3.630 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C12CCOCC2 ZINC000903139978 922802363 /nfs/dbraw/zinc/80/23/63/922802363.db2.gz XOCSFXQFXLOMDG-RTBURBONSA-N 1 0 397.519 3.599 20 30 GHEDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000748304555 923562975 /nfs/dbraw/zinc/56/29/75/923562975.db2.gz QWAQYPDHBWTDMA-OAQYLSRUSA-N 1 0 393.535 3.788 20 30 GHEDRO C[NH+]1CCC2(CCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000748323129 923574907 /nfs/dbraw/zinc/57/49/07/923574907.db2.gz XCXGTRJUJKNTJU-UHFFFAOYSA-N 1 0 379.435 3.800 20 30 GHEDRO CC1(COC(=O)COc2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000749051793 923995118 /nfs/dbraw/zinc/99/51/18/923995118.db2.gz ASVHGDQMCAMGOV-UHFFFAOYSA-N 1 0 378.472 3.783 20 30 GHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000370826680 924317518 /nfs/dbraw/zinc/31/75/18/924317518.db2.gz NBMKBINYVGUJEL-YFXJRYMSSA-N 1 0 389.499 3.549 20 30 GHEDRO N#CC1(NC(=O)CCCOc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000371543584 924651796 /nfs/dbraw/zinc/65/17/96/924651796.db2.gz OKNFTETUDIDJKP-UHFFFAOYSA-N 1 0 377.488 3.520 20 30 GHEDRO C=CCCCCCN(C)C(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000410640466 925770698 /nfs/dbraw/zinc/77/06/98/925770698.db2.gz JIJKMCVHKQFWQY-HXUWFJFHSA-N 1 0 391.600 3.694 20 30 GHEDRO O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001137434822 925774730 /nfs/dbraw/zinc/77/47/30/925774730.db2.gz NTZUPFKTJWJZED-MLPAPPSSSA-N 1 0 396.462 3.911 20 30 GHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cn2c(n1)CCCC2 ZINC000372990167 925803148 /nfs/dbraw/zinc/80/31/48/925803148.db2.gz NAKLUAMZOHZZHM-MRXNPFEDSA-N 1 0 397.548 3.542 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)c(OC)c(Cl)c3)C2)C1=O ZINC001276135583 925873880 /nfs/dbraw/zinc/87/38/80/925873880.db2.gz YAFLLNYISQEPKQ-IBGZPJMESA-N 1 0 397.302 3.529 20 30 GHEDRO COc1cccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000411146310 926119883 /nfs/dbraw/zinc/11/98/83/926119883.db2.gz XOPJWVKFUHUZKT-YTFSRNRJSA-N 1 0 389.499 3.624 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C[C@H]3CCOC3)C3CC3)sc2C1 ZINC000411160559 926149728 /nfs/dbraw/zinc/14/97/28/926149728.db2.gz AIVUXCMVPFFKFH-LSDHHAIUSA-N 1 0 387.549 3.574 20 30 GHEDRO CC(C)(C)[C@H]([NH2+]CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)c1ccccc1 ZINC000725766562 926430031 /nfs/dbraw/zinc/43/00/31/926430031.db2.gz MIYDDGYBPNDKDA-AUSIDOKSSA-N 1 0 390.487 3.660 20 30 GHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411486689 926438138 /nfs/dbraw/zinc/43/81/38/926438138.db2.gz HZZRHLWGLITIST-UHFFFAOYSA-N 1 0 379.504 3.600 20 30 GHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000411488778 926451162 /nfs/dbraw/zinc/45/11/62/926451162.db2.gz PRNRBAWCPQUHQD-BJKOFHAPSA-N 1 0 385.511 3.711 20 30 GHEDRO C#Cc1cccc(NC(=S)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000726452421 926673319 /nfs/dbraw/zinc/67/33/19/926673319.db2.gz XIFVNOSWFIAMKT-UHFFFAOYSA-N 1 0 379.529 3.581 20 30 GHEDRO CCC[N@H+](CC1CCCCC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000726587160 926744752 /nfs/dbraw/zinc/74/47/52/926744752.db2.gz LXVXTKHCCRAGBF-UHFFFAOYSA-N 1 0 382.508 3.572 20 30 GHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000411816829 926809981 /nfs/dbraw/zinc/80/99/81/926809981.db2.gz MIOQRVICDUROGV-QFIPXVFZSA-N 1 0 377.488 3.770 20 30 GHEDRO C[C@@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411821362 926820058 /nfs/dbraw/zinc/82/00/58/926820058.db2.gz NXYJTFZLRBJODV-HNNXBMFYSA-N 1 0 382.533 3.833 20 30 GHEDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000411967235 926945192 /nfs/dbraw/zinc/94/51/92/926945192.db2.gz HUWZKUJBBKCTMG-XCLFUZPHSA-N 1 0 375.538 3.620 20 30 GHEDRO C=CCN1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C2)C1=O ZINC001276186280 926995906 /nfs/dbraw/zinc/99/59/06/926995906.db2.gz SNQXVAWHDMQNGS-IBGZPJMESA-N 1 0 388.309 3.541 20 30 GHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412074856 927064172 /nfs/dbraw/zinc/06/41/72/927064172.db2.gz RHYBCCOEYOAIII-SJORKVTESA-N 1 0 385.508 3.719 20 30 GHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000412078723 927080517 /nfs/dbraw/zinc/08/05/17/927080517.db2.gz USYSOYZUIJANOW-KRWDZBQOSA-N 1 0 385.508 3.721 20 30 GHEDRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000749551469 927184223 /nfs/dbraw/zinc/18/42/23/927184223.db2.gz NWTLWNFRCLJEOI-NTUVXCKYSA-N 1 0 392.547 3.528 20 30 GHEDRO C=CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000749570309 927192848 /nfs/dbraw/zinc/19/28/48/927192848.db2.gz DHUMTBQCILPCGC-QIJUGHKUSA-N 1 0 378.520 3.909 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000374548879 927269209 /nfs/dbraw/zinc/26/92/09/927269209.db2.gz IXQLVIIASOGMFT-AWEZNQCLSA-N 1 0 375.398 3.889 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(CNc2cccc3c2CC[N@H+](CC(C)(C)O)C3)cc1 ZINC000374648483 927377747 /nfs/dbraw/zinc/37/77/47/927377747.db2.gz XBXFVSJXTBKGRR-KRWDZBQOSA-N 1 0 379.504 3.719 20 30 GHEDRO COc1ccc(CCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000374867026 927625379 /nfs/dbraw/zinc/62/53/79/927625379.db2.gz YAZAXALDFQWQBU-UHFFFAOYSA-N 1 0 391.515 3.692 20 30 GHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000751559466 928250282 /nfs/dbraw/zinc/25/02/82/928250282.db2.gz XGDGNMONWLQPTD-WMTXJRDZSA-N 1 0 394.515 3.666 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)CC1 ZINC000413228364 928343468 /nfs/dbraw/zinc/34/34/68/928343468.db2.gz BHMUSVOPRGJQJN-UHFFFAOYSA-N 1 0 389.543 3.843 20 30 GHEDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2=O)n(C)n1 ZINC000543861315 928507784 /nfs/dbraw/zinc/50/77/84/928507784.db2.gz IGELOWJSZQLCLQ-VGOFRKELSA-N 1 0 399.498 3.723 20 30 GHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)CC[C@H]2CCCO2)c1C#N ZINC000467132792 928738271 /nfs/dbraw/zinc/73/82/71/928738271.db2.gz AAJHNQAJYDAIJC-LJQANCHMSA-N 1 0 398.482 3.544 20 30 GHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)CC[C@H]2CCCO2)c1C#N ZINC000467132816 928738810 /nfs/dbraw/zinc/73/88/10/928738810.db2.gz AFOMNZVMFNEFKY-LJQANCHMSA-N 1 0 398.482 3.544 20 30 GHEDRO C=C(C)CN1CCC([NH2+]Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000544110019 928816977 /nfs/dbraw/zinc/81/69/77/928816977.db2.gz GWHJQIJQEZVZNZ-UHFFFAOYSA-N 1 0 377.330 3.535 20 30 GHEDRO C=CCC[N@@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000467292119 928924788 /nfs/dbraw/zinc/92/47/88/928924788.db2.gz ZNEKVIPYOJRJEX-UHFFFAOYSA-N 1 0 390.119 3.966 20 30 GHEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@H+]1C ZINC000544535944 929267704 /nfs/dbraw/zinc/26/77/04/929267704.db2.gz RZOWRPAKTZNKJR-MSOLQXFVSA-N 1 0 392.503 3.888 20 30 GHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000757707341 929778469 /nfs/dbraw/zinc/77/84/69/929778469.db2.gz PLFMWKGSBLAOIW-AUUYWEPGSA-N 1 0 380.517 3.569 20 30 GHEDRO CCc1nnc(NC2CC[NH+](Cc3cccc(OC)c3)CC2)c(C#N)c1CC ZINC000758402361 930034269 /nfs/dbraw/zinc/03/42/69/930034269.db2.gz KEIGORDAJOMEFM-UHFFFAOYSA-N 1 0 379.508 3.558 20 30 GHEDRO CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000469935464 930267568 /nfs/dbraw/zinc/26/75/68/930267568.db2.gz NQIGUZLPKLBNDJ-SFHVURJKSA-N 1 0 380.467 3.980 20 30 GHEDRO CC(C)(CCC#N)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000470149398 930407711 /nfs/dbraw/zinc/40/77/11/930407711.db2.gz RBHMTQIFDGHLJK-UHFFFAOYSA-N 1 0 398.334 3.846 20 30 GHEDRO N#Cc1cccc(OCc2cccc(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)c2)c1 ZINC000470164766 930422781 /nfs/dbraw/zinc/42/27/81/930422781.db2.gz YANNZLHSWDFARF-JOCHJYFZSA-N 1 0 389.499 3.884 20 30 GHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780364765 930499444 /nfs/dbraw/zinc/49/94/44/930499444.db2.gz GSMISWOBUFBLSK-XLIONFOSSA-N 1 0 398.466 3.625 20 30 GHEDRO COc1cc(C#N)ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000547417340 930996578 /nfs/dbraw/zinc/99/65/78/930996578.db2.gz IAFARWZMAJLFAN-IHWFROFDSA-N 1 0 390.487 3.884 20 30 GHEDRO C[C@@H]1OCC[C@@]12C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCO2 ZINC000470951831 931054283 /nfs/dbraw/zinc/05/42/83/931054283.db2.gz YTSQYBOEGPWYSY-GBXCKJPGSA-N 1 0 376.500 3.766 20 30 GHEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000470993292 931082470 /nfs/dbraw/zinc/08/24/70/931082470.db2.gz KBIBFGXMMMMWPB-HXUWFJFHSA-N 1 0 382.895 3.551 20 30 GHEDRO CN(C(=O)CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000471016187 931096027 /nfs/dbraw/zinc/09/60/27/931096027.db2.gz BXDQCXXJKOIVPL-OAQYLSRUSA-N 1 0 396.922 3.575 20 30 GHEDRO COc1ccc(C2(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)CCCCC2)cc1 ZINC000557219877 931279800 /nfs/dbraw/zinc/27/98/00/931279800.db2.gz LUWDXVQHGPNPIC-OAQYLSRUSA-N 1 0 394.515 3.798 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](O)c1ccccc1 ZINC000924547085 931416139 /nfs/dbraw/zinc/41/61/39/931416139.db2.gz FFAIPRKPNOXRNX-HKUYNNGSSA-N 1 0 387.524 3.629 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000924680712 931473092 /nfs/dbraw/zinc/47/30/92/931473092.db2.gz HZIAJQOYBAKSDA-QRVBRYPASA-N 1 0 390.572 3.522 20 30 GHEDRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000783279750 931481011 /nfs/dbraw/zinc/48/10/11/931481011.db2.gz YADDCHHQDBKSTO-QFBILLFUSA-N 1 0 385.508 3.551 20 30 GHEDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753398 931524792 /nfs/dbraw/zinc/52/47/92/931524792.db2.gz PFZDPJYKBQRIEL-OALUTQOASA-N 1 0 392.588 3.627 20 30 GHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000557585578 931559340 /nfs/dbraw/zinc/55/93/40/931559340.db2.gz QPEFMBFTXMLLLD-JOCHJYFZSA-N 1 0 382.504 3.731 20 30 GHEDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924947700 931593028 /nfs/dbraw/zinc/59/30/28/931593028.db2.gz FGTSJMZCVVRVSX-HOTGVXAUSA-N 1 0 389.544 3.699 20 30 GHEDRO C=CCN1CCC([NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000924983618 931602251 /nfs/dbraw/zinc/60/22/51/931602251.db2.gz HFRWXCGKYIDNED-SFHVURJKSA-N 1 0 390.572 3.546 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000925129099 931667861 /nfs/dbraw/zinc/66/78/61/931667861.db2.gz MVSVBHGUAFKTAN-XMTFNYHQSA-N 1 0 391.556 3.709 20 30 GHEDRO C=CCNC(=S)C(C(=O)c1ccc(C(=O)OCC)cc1)[n+]1ccccc1CC ZINC000783959628 931732186 /nfs/dbraw/zinc/73/21/86/931732186.db2.gz UUIRUJROZUSEBH-UHFFFAOYSA-O 1 0 397.520 3.700 20 30 GHEDRO N#CCc1ccccc1CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000784324035 931855780 /nfs/dbraw/zinc/85/57/80/931855780.db2.gz CTXINRFQAZRPKU-KMDXXIMOSA-N 1 0 387.527 3.712 20 30 GHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(N4CCSCC4)cc3)CC2)cc1 ZINC000796697290 932033192 /nfs/dbraw/zinc/03/31/92/932033192.db2.gz WUUDXMNKZFTPHW-UHFFFAOYSA-N 1 0 392.572 3.870 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000796770485 932060685 /nfs/dbraw/zinc/06/06/85/932060685.db2.gz DENYCHZEQXMARW-IBGZPJMESA-N 1 0 384.524 3.516 20 30 GHEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796821808 932079443 /nfs/dbraw/zinc/07/94/43/932079443.db2.gz WANODTNUYWXQIZ-OAHLLOKOSA-N 1 0 382.464 3.604 20 30 GHEDRO C=CCOc1ccc(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)cc1OC ZINC000558575334 932081743 /nfs/dbraw/zinc/08/17/43/932081743.db2.gz ZBOFXDLYUDLDTP-UHFFFAOYSA-N 1 0 395.459 3.917 20 30 GHEDRO Cc1cccc(CC[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000926326692 932137201 /nfs/dbraw/zinc/13/72/01/932137201.db2.gz SRKWFMNURDNZMG-SFHVURJKSA-N 1 0 386.540 3.842 20 30 GHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000558674995 932157758 /nfs/dbraw/zinc/15/77/58/932157758.db2.gz YIKCAQGJZFSIPW-QGZVFWFLSA-N 1 0 376.508 3.677 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC(C)(C)C(C)(C)O ZINC000926547360 932224942 /nfs/dbraw/zinc/22/49/42/932224942.db2.gz DBDWWYWLFBDPOK-INIZCTEOSA-N 1 0 381.561 3.693 20 30 GHEDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1cccc(C#N)c1[O-] ZINC000926577994 932233101 /nfs/dbraw/zinc/23/31/01/932233101.db2.gz CCIKXAMSMDEMND-SFHVURJKSA-N 1 0 392.908 3.952 20 30 GHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000558880647 932288433 /nfs/dbraw/zinc/28/84/33/932288433.db2.gz XBKKOPSAGVCGQN-UYAOXDASSA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000926831586 932321197 /nfs/dbraw/zinc/32/11/97/932321197.db2.gz DSKYQEISPJURCA-SJORKVTESA-N 1 0 379.545 3.711 20 30 GHEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CCC2(COC2)CC1 ZINC000926860959 932329889 /nfs/dbraw/zinc/32/98/89/932329889.db2.gz LBTTWBXWAPTRGT-KRWDZBQOSA-N 1 0 391.556 3.855 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]Cc1cc(C2CC2)no1 ZINC000926868597 932331257 /nfs/dbraw/zinc/33/12/57/932331257.db2.gz JSMSAJPPPZOOAW-OAHLLOKOSA-N 1 0 388.512 3.961 20 30 GHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)N[C@@H](c1ncccn1)C1CC1 ZINC000926894746 932339437 /nfs/dbraw/zinc/33/94/37/932339437.db2.gz PQVDOJQIXZAQRP-SJLPKXTDSA-N 1 0 399.539 3.837 20 30 GHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000558990905 932358362 /nfs/dbraw/zinc/35/83/62/932358362.db2.gz DRBRYSHIOZSWAW-UHFFFAOYSA-N 1 0 395.551 3.842 20 30 GHEDRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](C[NH2+][C@@H]1CCc3ccc(C#N)cc31)O2 ZINC000926994493 932374086 /nfs/dbraw/zinc/37/40/86/932374086.db2.gz JWXMPFCOPNQWIP-YDJSWOFHSA-N 1 0 382.504 3.805 20 30 GHEDRO C[N@H+](Cc1ccccc1)C1CCC(N=Nc2ccc(-n3cccn3)nn2)CC1 ZINC000797787189 932407833 /nfs/dbraw/zinc/40/78/33/932407833.db2.gz GIOJNMLDCDUVLU-UHFFFAOYSA-N 1 0 375.480 3.505 20 30 GHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000798065233 932516098 /nfs/dbraw/zinc/51/60/98/932516098.db2.gz PKHOOHGURDTUOP-RTWAWAEBSA-N 1 0 398.551 3.964 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](c3ccncc3)C1)CCCC2 ZINC000559641429 932773314 /nfs/dbraw/zinc/77/33/14/932773314.db2.gz XEDYBWYHNCGWCI-MRXNPFEDSA-N 1 0 380.517 3.712 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000559683170 932792662 /nfs/dbraw/zinc/79/26/62/932792662.db2.gz ROWCLNJPHUXLRF-RBUKOAKNSA-N 1 0 385.552 3.538 20 30 GHEDRO CN(C[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1)C(=O)OC(C)(C)C ZINC000799120558 932881218 /nfs/dbraw/zinc/88/12/18/932881218.db2.gz XNPPQNHZENMLGB-SFHVURJKSA-N 1 0 379.545 3.666 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)CC1 ZINC000928655429 933052646 /nfs/dbraw/zinc/05/26/46/933052646.db2.gz RERSWGZBXXQNIW-UHFFFAOYSA-N 1 0 389.927 3.542 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000928656484 933053569 /nfs/dbraw/zinc/05/35/69/933053569.db2.gz WKZJFGAPZIQURH-UHFFFAOYSA-N 1 0 387.936 3.584 20 30 GHEDRO C[C@@](C#N)(NC(=O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000560184867 933117949 /nfs/dbraw/zinc/11/79/49/933117949.db2.gz KWEYJLCZNBFUIH-QFIPXVFZSA-N 1 0 379.529 3.526 20 30 GHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C#N)ccc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000560629333 933405309 /nfs/dbraw/zinc/40/53/09/933405309.db2.gz LFQXSTNZUSBENZ-LEWJYISDSA-N 1 0 395.890 3.928 20 30 GHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)CC#Cc3ccccc3)cc2F)CC1 ZINC001116269702 933448719 /nfs/dbraw/zinc/44/87/19/933448719.db2.gz ZTJAWYJVGOASRE-UHFFFAOYSA-N 1 0 379.479 3.736 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000777809981 933558488 /nfs/dbraw/zinc/55/84/88/933558488.db2.gz VFXIEYYYYMUTKN-UXHICEINSA-N 1 0 379.508 3.637 20 30 GHEDRO C[NH+](C)CCOc1cccc(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000929741457 933610414 /nfs/dbraw/zinc/61/04/14/933610414.db2.gz VQFRVLBZDIDKTN-UHFFFAOYSA-N 1 0 392.503 3.910 20 30 GHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000929935220 933716371 /nfs/dbraw/zinc/71/63/71/933716371.db2.gz OWUUGPIIOXYDAM-LJQANCHMSA-N 1 0 398.551 3.696 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC001116713937 933718598 /nfs/dbraw/zinc/71/85/98/933718598.db2.gz VIRYCXPZLKBMPF-FQEVSTJZSA-N 1 0 399.535 3.705 20 30 GHEDRO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(CC#N)cc2)[NH+](CC)CC)cc1 ZINC001117733902 933999483 /nfs/dbraw/zinc/99/94/83/933999483.db2.gz QWDNVQFNKKXQFV-QFIPXVFZSA-N 1 0 399.560 3.676 20 30 GHEDRO N#CC[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC001119930384 934419462 /nfs/dbraw/zinc/41/94/62/934419462.db2.gz FTEVSTVUCIOKAD-HQSKLWIPSA-N 1 0 394.441 3.716 20 30 GHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000561753226 934421444 /nfs/dbraw/zinc/42/14/44/934421444.db2.gz GWMLHEDWSDTPLG-MBSDFSHPSA-N 1 0 389.499 3.836 20 30 GHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000561901648 934548258 /nfs/dbraw/zinc/54/82/58/934548258.db2.gz AEIDCUJKAGVTCW-OAHLLOKOSA-N 1 0 389.421 3.756 20 30 GHEDRO CC(C)(C)[C@H]1CSCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000931596898 934636191 /nfs/dbraw/zinc/63/61/91/934636191.db2.gz OBGIPOYJAKADJQ-CRAIPNDOSA-N 1 0 380.517 3.687 20 30 GHEDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000931596906 934636221 /nfs/dbraw/zinc/63/62/21/934636221.db2.gz OBGIPOYJAKADJQ-QAPCUYQASA-N 1 0 380.517 3.687 20 30 GHEDRO C=CCn1c([C@@H]2C[C@H]2c2ccccc2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001121592718 934709615 /nfs/dbraw/zinc/70/96/15/934709615.db2.gz UTWQENBGLZWBDZ-AHJNKEMKSA-N 1 0 391.563 3.902 20 30 GHEDRO C#CCC1([NH2+]CCC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CCOCC1 ZINC000931761347 934710766 /nfs/dbraw/zinc/71/07/66/934710766.db2.gz QOZDAPVRDOFWIN-YQQQUEKLSA-N 1 0 376.541 3.717 20 30 GHEDRO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC001121595608 934711084 /nfs/dbraw/zinc/71/10/84/934711084.db2.gz UFAYFRYNHPQETB-ICSRJNTNSA-N 1 0 381.524 3.623 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCCOC2)O1 ZINC000562316257 934818451 /nfs/dbraw/zinc/81/84/51/934818451.db2.gz XXHYPTCSKHYNEF-DVECYGJZSA-N 1 0 392.499 3.907 20 30 GHEDRO N#Cc1cc(NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)ccn1 ZINC000932157400 934837268 /nfs/dbraw/zinc/83/72/68/934837268.db2.gz YXKVPMJDDUSIDL-UHFFFAOYSA-N 1 0 375.476 3.572 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001122575542 934905542 /nfs/dbraw/zinc/90/55/42/934905542.db2.gz LIHRCYWCVWCGTF-IHPCNDPISA-N 1 0 387.572 3.795 20 30 GHEDRO C=C(C)Cn1c([C@H](C)C(C)(C)O)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001122596429 934912681 /nfs/dbraw/zinc/91/26/81/934912681.db2.gz UIJIBWFIZFELTO-SFHVURJKSA-N 1 0 389.588 3.573 20 30 GHEDRO C=C(C)Cn1c(-c2ccc3cccnc3c2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001122616006 934921807 /nfs/dbraw/zinc/92/18/07/934921807.db2.gz VGCIYMYWFTUREG-PZJWPPBQSA-N 1 0 388.519 3.600 20 30 GHEDRO N#CC1(COC(=O)[C@@H]2C[C@H]2c2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC001123140082 935088868 /nfs/dbraw/zinc/08/88/68/935088868.db2.gz JINVZOFQDLNFAI-LEWJYISDSA-N 1 0 375.472 3.534 20 30 GHEDRO C[C@H](CCC#N)c1nnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1CC1CC1 ZINC001123503762 935212441 /nfs/dbraw/zinc/21/24/41/935212441.db2.gz KRRROQVESBZCQZ-IMFGXOCKSA-N 1 0 382.556 3.548 20 30 GHEDRO CCOC(=O)c1sc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC001124069445 935337578 /nfs/dbraw/zinc/33/75/78/935337578.db2.gz ZLXHHNYYQNMTCP-MRXNPFEDSA-N 1 0 397.500 3.566 20 30 GHEDRO COC(=O)c1cccc(C[NH+]2CCC(Nc3nc(C)c(C#N)cc3Cl)CC2)c1 ZINC001161175947 935599730 /nfs/dbraw/zinc/59/97/30/935599730.db2.gz OFZYBWROLKMNMV-UHFFFAOYSA-N 1 0 398.894 3.778 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cccc(F)c1Br)C2 ZINC001137719839 935746021 /nfs/dbraw/zinc/74/60/21/935746021.db2.gz PHPBQRPHYRLIRC-QAPCUYQASA-N 1 0 384.289 3.914 20 30 GHEDRO CN(c1ccc(C#N)cc1)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC001137902603 935856718 /nfs/dbraw/zinc/85/67/18/935856718.db2.gz KGBFGRJZPAJWSF-UHFFFAOYSA-N 1 0 390.531 3.623 20 30 GHEDRO COc1ccc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)cc1C#N ZINC000829826822 935869790 /nfs/dbraw/zinc/86/97/90/935869790.db2.gz YYDIXNDRXRDHLS-KRWDZBQOSA-N 1 0 380.366 3.679 20 30 GHEDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 ZINC001625871703 1014273335 /nfs/dbraw/zinc/27/33/35/1014273335.db2.gz QRMMJWDVLXSIHJ-NRFANRHFSA-N 1 0 383.442 3.816 20 30 GHEDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000411973864 1015067641 /nfs/dbraw/zinc/06/76/41/1015067641.db2.gz SKBUNNLZWITNPH-MDOVXXIYSA-N 1 0 375.538 3.670 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccsc2)C1)C(C)C ZINC000468040046 1015179636 /nfs/dbraw/zinc/17/96/36/1015179636.db2.gz SBAXMXXIVLNKLL-RBUKOAKNSA-N 1 0 377.554 3.530 20 30 GHEDRO C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC000545721325 1016296262 /nfs/dbraw/zinc/29/62/62/1016296262.db2.gz UYQNTLVQTKMLEU-MRXNPFEDSA-N 1 0 389.459 3.500 20 30 GHEDRO CC(C)CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000469105891 1016489356 /nfs/dbraw/zinc/48/93/56/1016489356.db2.gz XAZCZVAHAAVUPX-CVEARBPZSA-N 1 0 389.565 3.820 20 30 GHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc(C#N)c(C)n3)n2)cc1 ZINC000546320467 1016593521 /nfs/dbraw/zinc/59/35/21/1016593521.db2.gz JMCXQUWQSNMESP-UHFFFAOYSA-N 1 0 377.448 3.699 20 30 GHEDRO CC(C)[NH+](CCCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(C)C ZINC000470226493 1016749838 /nfs/dbraw/zinc/74/98/38/1016749838.db2.gz PANLMAZAFDTDQW-UHFFFAOYSA-N 1 0 383.492 3.969 20 30 GHEDRO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470781081 1016886319 /nfs/dbraw/zinc/88/63/19/1016886319.db2.gz JLBJZCLZSDEOFZ-LOSJGSFVSA-N 1 0 385.511 3.626 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc3cc(Br)ccc3o2)CC1 ZINC001226843192 1032152840 /nfs/dbraw/zinc/15/28/40/1032152840.db2.gz HMESPRAUANQVEU-UHFFFAOYSA-N 1 0 392.297 3.645 20 30 GHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1-n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001154846068 1032305865 /nfs/dbraw/zinc/30/58/65/1032305865.db2.gz CPWBPIVIQHLPHK-UHFFFAOYSA-N 1 0 387.340 3.610 20 30 GHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(Br)cc1OC(F)(F)F ZINC001227286881 1032356003 /nfs/dbraw/zinc/35/60/03/1032356003.db2.gz PYYAFNURNQBKET-LLVKDONJSA-N 1 0 382.200 3.715 20 30 GHEDRO C#CCN(C(=O)N[C@@H](Cc1ccccc1)c1cccs1)C1CC[NH+](C)CC1 ZINC001227412465 1032409808 /nfs/dbraw/zinc/40/98/08/1032409808.db2.gz VOYVGBVQPZWDGE-FQEVSTJZSA-N 1 0 381.545 3.771 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](CCC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001155351110 1032513437 /nfs/dbraw/zinc/51/34/37/1032513437.db2.gz LVOYBORFTIDFIZ-GOSISDBHSA-N 1 0 386.536 3.822 20 30 GHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Cc3ccccc3Cl)CC2)CC1 ZINC001221806906 1032540636 /nfs/dbraw/zinc/54/06/36/1032540636.db2.gz SKDKJMKPVVJEAL-UHFFFAOYSA-N 1 0 375.944 3.955 20 30 GHEDRO C=CC(C)(C)CCNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001221824969 1032545682 /nfs/dbraw/zinc/54/56/82/1032545682.db2.gz MSKVGOBDNOSANG-UHFFFAOYSA-N 1 0 392.975 3.754 20 30 GHEDRO COc1cccc(N(C2CC[NH2+]CC2)C(F)(F)c2nc(Cl)ccc2C#N)c1 ZINC001155606601 1032598688 /nfs/dbraw/zinc/59/86/88/1032598688.db2.gz YVGNBVQQTMPWMT-UHFFFAOYSA-N 1 0 392.837 3.923 20 30 GHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000558994567 1017331578 /nfs/dbraw/zinc/33/15/78/1017331578.db2.gz QTUZVHTUCMSWHV-PZJWPPBQSA-N 1 0 395.551 3.582 20 30 GHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 ZINC000927007694 1017338217 /nfs/dbraw/zinc/33/82/17/1017338217.db2.gz FSZYEPNNDZTEPB-IAGOWNOFSA-N 1 0 380.529 3.654 20 30 GHEDRO C#CCOc1ccccc1CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001227924383 1032696915 /nfs/dbraw/zinc/69/69/15/1032696915.db2.gz MJLZMDMTUIQSSF-FQEVSTJZSA-N 1 0 397.563 3.885 20 30 GHEDRO N#C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccc(OCc2ccccc2)cc1 ZINC000559560681 1017468899 /nfs/dbraw/zinc/46/88/99/1017468899.db2.gz CWJFWNDJXSCXLS-QFIPXVFZSA-N 1 0 382.423 3.908 20 30 GHEDRO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cccc4c[nH+]cn43)c(C#N)c21 ZINC001155786854 1032704352 /nfs/dbraw/zinc/70/43/52/1032704352.db2.gz JGPDCTFFJQLJFC-CYBMUJFWSA-N 1 0 394.456 3.503 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccc(F)c(Cl)c4)C3)CC2=O)c1 ZINC001204282537 1032725424 /nfs/dbraw/zinc/72/54/24/1032725424.db2.gz HXXZDDZMJSFARM-OAQYLSRUSA-N 1 0 383.854 3.980 20 30 GHEDRO C=CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1 ZINC001204299697 1032739129 /nfs/dbraw/zinc/73/91/29/1032739129.db2.gz DOGYPXQURRGTLK-DEOSSOPVSA-N 1 0 387.483 3.752 20 30 GHEDRO N#CC(CCN1CCOC[C@@H]1[C@@H]1CCCC1=O)(c1ccccc1)c1ccccc1 ZINC000562471273 1018187496 /nfs/dbraw/zinc/18/74/96/1018187496.db2.gz OXRKZKZNDGITPD-XZOQPEGZSA-N 1 0 388.511 3.956 20 30 GHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000932548914 1018438526 /nfs/dbraw/zinc/43/85/26/1018438526.db2.gz DEZPNTPEIHAWBP-NRFANRHFSA-N 1 0 390.512 3.990 20 30 GHEDRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000562634241 1018454242 /nfs/dbraw/zinc/45/42/42/1018454242.db2.gz RITIDVPYYPCKEN-UHFFFAOYSA-N 1 0 384.487 3.806 20 30 GHEDRO C[NH+]1CCC(CNC(=O)Nc2ccc(CCC#N)cc2)(c2ccccc2)CC1 ZINC000932559258 1018457399 /nfs/dbraw/zinc/45/73/99/1018457399.db2.gz CDWADULMNNLSTB-UHFFFAOYSA-N 1 0 376.504 3.928 20 30 GHEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H](c1ccccc1)N1CCOCC1 ZINC000562875144 1018738831 /nfs/dbraw/zinc/73/88/31/1018738831.db2.gz XQBOMNPVUBCZNB-GKVQRAMASA-N 1 0 375.516 3.987 20 30 GHEDRO O[C@H](C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 ZINC000932942280 1018770660 /nfs/dbraw/zinc/77/06/60/1018770660.db2.gz GPZMCQIBSWSRSL-IJLUTSLNSA-N 1 0 389.286 3.823 20 30 GHEDRO C=CCn1ncc2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000933072072 1018830688 /nfs/dbraw/zinc/83/06/88/1018830688.db2.gz FDFWLYWHMKXTBE-YLJYHZDGSA-N 1 0 379.508 3.703 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc4occ(Br)c4c3)C2)C1=O ZINC001276458443 1032804930 /nfs/dbraw/zinc/80/49/30/1032804930.db2.gz LEEJERLERRBXKN-LJQANCHMSA-N 1 0 389.293 3.806 20 30 GHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](c3cccnc3)C1)CCCC2 ZINC000564919225 1019129320 /nfs/dbraw/zinc/12/93/20/1019129320.db2.gz ATYSIGBMIRMIMD-MRXNPFEDSA-N 1 0 380.517 3.712 20 30 GHEDRO N#Cc1ccccc1C[NH+]1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC001204371317 1032813730 /nfs/dbraw/zinc/81/37/30/1032813730.db2.gz VCGIHLCVYMHLKF-NRFANRHFSA-N 1 0 377.488 3.651 20 30 GHEDRO CSc1nc(Cl)c(/C=N/O)c(-n2c(C[NH3+])cc3cc(Cl)ccc32)n1 ZINC001155989821 1032823605 /nfs/dbraw/zinc/82/36/05/1032823605.db2.gz OYEZBNSCLDGOTL-FBCYGCLPSA-N 1 0 382.276 3.716 20 30 GHEDRO CC(C)C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000568456227 1019407755 /nfs/dbraw/zinc/40/77/55/1019407755.db2.gz WZGCLIDKBATBDE-OAQYLSRUSA-N 1 0 385.552 3.869 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cn(C(C)=O)c3ccccc13)CC2 ZINC001204406997 1032830585 /nfs/dbraw/zinc/83/05/85/1032830585.db2.gz LULVMCPMUTZEPK-UHFFFAOYSA-N 1 0 381.476 3.522 20 30 GHEDRO C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000569917660 1019536552 /nfs/dbraw/zinc/53/65/52/1019536552.db2.gz ZJOBMMQGVYTYBV-NTKDMRAZSA-N 1 0 388.515 3.540 20 30 GHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)CC2 ZINC000570438531 1019609483 /nfs/dbraw/zinc/60/94/83/1019609483.db2.gz FZQIDFZEBRGXBI-FGZHOGPDSA-N 1 0 381.907 3.862 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC001204418806 1032848245 /nfs/dbraw/zinc/84/82/45/1032848245.db2.gz KDYGQGGGOLIKLS-HXUWFJFHSA-N 1 0 380.435 3.899 20 30 GHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1 ZINC000047010690 1019940127 /nfs/dbraw/zinc/94/01/27/1019940127.db2.gz GHTLOZDRONBLOR-UHFFFAOYSA-N 1 0 386.293 3.525 20 30 GHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576223681 1019990586 /nfs/dbraw/zinc/99/05/86/1019990586.db2.gz HEOZCWINKFOZTD-ZHALLVOQSA-N 1 0 387.549 3.910 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(c3cccc(Cl)c3)CCCC2)CCOCC1 ZINC000600720400 1020224526 /nfs/dbraw/zinc/22/45/26/1020224526.db2.gz PDEGTOWJZYAWAF-LJQANCHMSA-N 1 0 376.928 3.813 20 30 GHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000578319407 1020343387 /nfs/dbraw/zinc/34/33/87/1020343387.db2.gz KGEXWNMUZHPNAL-FPOVZHCZSA-N 1 0 376.504 3.823 20 30 GHEDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190610275 1020706762 /nfs/dbraw/zinc/70/67/62/1020706762.db2.gz VNPRQTFMJIJCNW-VGOFRKELSA-N 1 0 377.488 3.799 20 30 GHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192045317 1020843790 /nfs/dbraw/zinc/84/37/90/1020843790.db2.gz XERWJPDQEJLRCZ-PZJWPPBQSA-N 1 0 383.879 3.706 20 30 GHEDRO CC(C)[C@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Br)cc1 ZINC000192372358 1020867273 /nfs/dbraw/zinc/86/72/73/1020867273.db2.gz WAPMNWWITIKNKR-OALUTQOASA-N 1 0 392.341 3.718 20 30 GHEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2-c2cnc(N)nc2)C1 ZINC001140325471 1021404482 /nfs/dbraw/zinc/40/44/82/1021404482.db2.gz OBPSYFUJNBAYAO-FQEVSTJZSA-N 1 0 385.471 3.641 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(F)cc(OC)c3)CC2)C1 ZINC001140478721 1021776565 /nfs/dbraw/zinc/77/65/65/1021776565.db2.gz YXAGCUZKWGAHEB-UHFFFAOYSA-N 1 0 376.472 3.835 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC)c(OCC3CC3)c1)CC2 ZINC001140492520 1021836087 /nfs/dbraw/zinc/83/60/87/1021836087.db2.gz KUWPEGDGHJVLQQ-UHFFFAOYSA-N 1 0 384.520 3.627 20 30 GHEDRO CC(C)(C)OC(=O)N1CCN(c2cccc(C[NH+]3CCC(S)CC3)c2)CC1 ZINC001140520928 1021912631 /nfs/dbraw/zinc/91/26/31/1021912631.db2.gz IFLOYXGJZPHTMK-UHFFFAOYSA-N 1 0 391.581 3.638 20 30 GHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccnn3-c3ccccc3)CC2)C1 ZINC001140524262 1021918275 /nfs/dbraw/zinc/91/82/75/1021918275.db2.gz AUFVMZFGYKYUOV-UHFFFAOYSA-N 1 0 394.519 3.873 20 30 GHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1sc(-c2c(C)noc2C)nc1C ZINC000835232692 1021976833 /nfs/dbraw/zinc/97/68/33/1021976833.db2.gz XTKBOJXDLXDTIX-LBPRGKRZSA-N 1 0 375.494 3.614 20 30 GHEDRO CC(C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001140616749 1022081596 /nfs/dbraw/zinc/08/15/96/1022081596.db2.gz NYLXWUKSHFBEQW-QFIPXVFZSA-N 1 0 377.488 3.740 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Br)ccc3C)C2)C1=O ZINC001140647394 1022149519 /nfs/dbraw/zinc/14/95/19/1022149519.db2.gz YSVWACRSBBQULN-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO Cc1ccc(-n2ncc(C#N)c2Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC001204725487 1033049048 /nfs/dbraw/zinc/04/90/48/1033049048.db2.gz YIUYOHQICRSIMJ-UHFFFAOYSA-N 1 0 386.503 3.543 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001140810321 1022596066 /nfs/dbraw/zinc/59/60/66/1022596066.db2.gz AMVAYYVVEFYODF-ZJOUEHCJSA-N 1 0 394.906 3.753 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Br)cc3C)C2)C1=O ZINC001140815685 1022613784 /nfs/dbraw/zinc/61/37/84/1022613784.db2.gz GIJMVPABDHLJGL-IBGZPJMESA-N 1 0 377.326 3.758 20 30 GHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754390068 1022665698 /nfs/dbraw/zinc/66/56/98/1022665698.db2.gz UPBCGGYSDMHSGO-GJZGRUSLSA-N 1 0 389.546 3.652 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140921767 1022887246 /nfs/dbraw/zinc/88/72/46/1022887246.db2.gz PAIYEODKYNIRBE-UHFFFAOYSA-N 1 0 377.916 3.626 20 30 GHEDRO Cc1ccnc(C2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000755221213 1023137791 /nfs/dbraw/zinc/13/77/91/1023137791.db2.gz IIJKUHBWXGFCEI-UHFFFAOYSA-N 1 0 375.394 3.915 20 30 GHEDRO C[NH+]1CCC2(CC1)CC(N=Nc1ncnc3sccc31)c1ccccc1O2 ZINC000755589221 1023303162 /nfs/dbraw/zinc/30/31/62/1023303162.db2.gz OYSRPWHFTCYKDW-UHFFFAOYSA-N 1 0 379.489 3.754 20 30 GHEDRO CCOC[C@H]1COCCC12CC[NH+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141111494 1023526187 /nfs/dbraw/zinc/52/61/87/1023526187.db2.gz STRCATPFQOBFQX-ZDUSSCGKSA-N 1 0 383.945 3.511 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]12 ZINC001141113858 1023530189 /nfs/dbraw/zinc/53/01/89/1023530189.db2.gz UETCBIAUZIJCAM-RAIGVLPGSA-N 1 0 396.944 3.590 20 30 GHEDRO COC(=O)c1cccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000756549208 1023709368 /nfs/dbraw/zinc/70/93/68/1023709368.db2.gz BOHQFAGLDJEGMI-FXAWDEMLSA-N 1 0 382.460 3.806 20 30 GHEDRO C=C(C)[C@H](CC(=O)OC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1)OCC ZINC000756557920 1023713130 /nfs/dbraw/zinc/71/31/30/1023713130.db2.gz KVSZFFXRDVQJTC-RCZSKKKRSA-N 1 0 375.509 3.993 20 30 GHEDRO C#CC[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000757062422 1023924050 /nfs/dbraw/zinc/92/40/50/1023924050.db2.gz OIVMZRZNGUDEJV-FYYLOGMGSA-N 1 0 375.516 3.915 20 30 GHEDRO C#CCCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001141294765 1024430343 /nfs/dbraw/zinc/43/03/43/1024430343.db2.gz MIDQQCMBDPHSQJ-UHFFFAOYSA-N 1 0 376.500 3.745 20 30 GHEDRO COc1cc2cccnc2c(N(c2ncnc(Cl)c2C#N)[C@H](C)CCC[NH3+])c1 ZINC001156751080 1033223121 /nfs/dbraw/zinc/22/31/21/1033223121.db2.gz YJCBGZZSDOUWBB-CYBMUJFWSA-N 1 0 396.882 3.824 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(N(C)C)s3)C2)CC1 ZINC001138489893 1024921945 /nfs/dbraw/zinc/92/19/45/1024921945.db2.gz WCDIXWBIMSOCCH-UHFFFAOYSA-N 1 0 377.554 3.815 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(-n3ccnc3C)cc1)CCO2 ZINC001138548399 1024994723 /nfs/dbraw/zinc/99/47/23/1024994723.db2.gz CVLIUIXCSLRNRO-JTHBVZDNSA-N 1 0 381.520 3.754 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001138556300 1025015135 /nfs/dbraw/zinc/01/51/35/1025015135.db2.gz OINXXFPJVHGZKZ-UHFFFAOYSA-N 1 0 384.520 3.922 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)cc1 ZINC001138558531 1025019526 /nfs/dbraw/zinc/01/95/26/1025019526.db2.gz ZGRHOGWJXILXBN-QHCPKHFHSA-N 1 0 388.511 3.679 20 30 GHEDRO C#CCOc1ccc(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)cc1 ZINC001138559887 1025021354 /nfs/dbraw/zinc/02/13/54/1025021354.db2.gz VBHRGYDQVYTCFX-UHFFFAOYSA-N 1 0 378.472 3.562 20 30 GHEDRO C#CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)cc1 ZINC001138559919 1025021457 /nfs/dbraw/zinc/02/14/57/1025021457.db2.gz WDCSUDNYVNGRHD-HSZRJFAPSA-N 1 0 394.540 3.888 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1O ZINC001138626560 1025125646 /nfs/dbraw/zinc/12/56/46/1025125646.db2.gz KCOWUHSSIOUXTF-IBGZPJMESA-N 1 0 398.478 3.857 20 30 GHEDRO C=CCc1cccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1O ZINC001138627964 1025128797 /nfs/dbraw/zinc/12/87/97/1025128797.db2.gz QMVHHIKXAOPWDP-YTFSRNRJSA-N 1 0 394.515 3.854 20 30 GHEDRO C=CCc1cccc(C[NH+]2CCC(c3cccc(S(C)(=O)=O)c3)CC2)c1O ZINC001138631651 1025135976 /nfs/dbraw/zinc/13/59/76/1025135976.db2.gz XHEBMOXOELXDRO-UHFFFAOYSA-N 1 0 385.529 3.904 20 30 GHEDRO N#Cc1ccc(F)c(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000832043124 1025172975 /nfs/dbraw/zinc/17/29/75/1025172975.db2.gz CTUZRCUYZYOMGC-RCZSKKKRSA-N 1 0 377.463 3.728 20 30 GHEDRO C=C(C)COc1ccccc1CN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001138661302 1025181437 /nfs/dbraw/zinc/18/14/37/1025181437.db2.gz SKKHSEZQUUOJME-HXUWFJFHSA-N 1 0 381.520 3.897 20 30 GHEDRO CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C[NH+](CC)CC)c2)c1 ZINC001141487109 1025218820 /nfs/dbraw/zinc/21/88/20/1025218820.db2.gz RIIDTDDDYWADPO-UHFFFAOYSA-N 1 0 398.528 3.578 20 30 GHEDRO C#Cc1ccc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000838641217 1025258490 /nfs/dbraw/zinc/25/84/90/1025258490.db2.gz ICXXRBLSNAVLJZ-UHFFFAOYSA-N 1 0 387.527 3.866 20 30 GHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(-n2nc(C[NH3+])c3ccccc32)cc1F ZINC001156855452 1033280934 /nfs/dbraw/zinc/28/09/34/1033280934.db2.gz KKTCDOIFYMGCME-UHFFFAOYSA-N 1 0 378.798 3.605 20 30 GHEDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001161933815 1025503285 /nfs/dbraw/zinc/50/32/85/1025503285.db2.gz CPNMBZVBUQUKES-UHFFFAOYSA-N 1 0 388.452 3.871 20 30 GHEDRO N#Cc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)ncc1Br ZINC001162153006 1025638102 /nfs/dbraw/zinc/63/81/02/1025638102.db2.gz KNNHIDNHSNFBDE-UHFFFAOYSA-N 1 0 377.330 3.808 20 30 GHEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)ccc1C#N ZINC000839184949 1025696395 /nfs/dbraw/zinc/69/63/95/1025696395.db2.gz NYUWNHQESKLZAM-GUDVDZBRSA-N 1 0 385.508 3.692 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001162350180 1025721034 /nfs/dbraw/zinc/72/10/34/1025721034.db2.gz YQMCNZRUELMXOP-OAHLLOKOSA-N 1 0 375.250 3.821 20 30 GHEDRO C=CCOc1ccccc1C[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001139028480 1025797162 /nfs/dbraw/zinc/79/71/62/1025797162.db2.gz VCECGJOJPCQWBJ-UHFFFAOYSA-N 1 0 378.520 3.924 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC001139073690 1025879281 /nfs/dbraw/zinc/87/92/81/1025879281.db2.gz PDJZABCINXQEMT-UYAOXDASSA-N 1 0 379.884 3.642 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001139079438 1025891084 /nfs/dbraw/zinc/89/10/84/1025891084.db2.gz YFUDMJZERWPXNI-QHCPKHFHSA-N 1 0 392.503 3.802 20 30 GHEDRO Cn1ccc2c1cccc2C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001139161986 1025984915 /nfs/dbraw/zinc/98/49/15/1025984915.db2.gz CXIJMFXKBRXWLF-UHFFFAOYSA-N 1 0 387.487 3.836 20 30 GHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)n1 ZINC001163056372 1026028375 /nfs/dbraw/zinc/02/83/75/1026028375.db2.gz PYAQPGIXIUJQLC-QGZVFWFLSA-N 1 0 395.551 3.818 20 30 GHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](O)c1ccccc1 ZINC000839600507 1026097959 /nfs/dbraw/zinc/09/79/59/1026097959.db2.gz CROICVPIYZTJEP-LEWJYISDSA-N 1 0 385.895 3.888 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(N2CCCCC2=O)cc1 ZINC000839607415 1026105707 /nfs/dbraw/zinc/10/57/07/1026105707.db2.gz XWKBYONRZPOCFA-QGZVFWFLSA-N 1 0 390.487 3.755 20 30 GHEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000839645305 1026156925 /nfs/dbraw/zinc/15/69/25/1026156925.db2.gz TXNQEVRFKOKBDX-NHCUHLMSSA-N 1 0 399.535 3.843 20 30 GHEDRO COCC[N@H+](C)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC001163384902 1026171263 /nfs/dbraw/zinc/17/12/63/1026171263.db2.gz DCPUVZLLNKEJEN-KRWDZBQOSA-N 1 0 379.291 3.991 20 30 GHEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc(C(=O)OCc2ccccc2)cn1 ZINC001163473663 1026207199 /nfs/dbraw/zinc/20/71/99/1026207199.db2.gz UDKNGFSEJRPMHF-UHFFFAOYSA-N 1 0 388.471 3.928 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1)[C@@H]2CC ZINC001139358451 1026230312 /nfs/dbraw/zinc/23/03/12/1026230312.db2.gz MYAFOJOKYFDZEU-GGAORHGYSA-N 1 0 378.520 3.794 20 30 GHEDRO C[N@@H+]1CCN(c2ccc(C#N)c(Br)c2F)[C@H](Cc2ccccc2)C1 ZINC001163662000 1026271482 /nfs/dbraw/zinc/27/14/82/1026271482.db2.gz DPBODGQYOZUSOX-MRXNPFEDSA-N 1 0 388.284 3.823 20 30 GHEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCC4(CC3)OC(=O)c3ccncc34)cc2)c1 ZINC001139406236 1026279011 /nfs/dbraw/zinc/27/90/11/1026279011.db2.gz NRTYUBPGSINWQH-UHFFFAOYSA-N 1 0 396.450 3.677 20 30 GHEDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406455 1026279466 /nfs/dbraw/zinc/27/94/66/1026279466.db2.gz UASUHICNNTYQPV-UHFFFAOYSA-N 1 0 376.504 3.843 20 30 GHEDRO N#Cc1nc(-c2ccccc2)c(-n2c(C[NH3+])cc3cc(Cl)ccc32)nc1C#N ZINC001163897087 1026353305 /nfs/dbraw/zinc/35/33/05/1026353305.db2.gz JBDPYUQPNMRPRJ-UHFFFAOYSA-N 1 0 384.830 3.943 20 30 GHEDRO C=CC[C@@H]1N(C(=O)Cc2csc(SCC[NH+](C)C)n2)CCCC1(C)C ZINC001139510751 1026365050 /nfs/dbraw/zinc/36/50/50/1026365050.db2.gz FBPSYKIYUXTZFN-INIZCTEOSA-N 1 0 381.611 3.933 20 30 GHEDRO COc1cc2cc(C#N)c(NCc3cccc(C[NH+](C)C)c3)nc2cc1OC ZINC001163992706 1026379194 /nfs/dbraw/zinc/37/91/94/1026379194.db2.gz JFALXDGOYCNWRB-UHFFFAOYSA-N 1 0 376.460 3.797 20 30 GHEDRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001139528773 1026386462 /nfs/dbraw/zinc/38/64/62/1026386462.db2.gz VWCLMVUKMHKRLH-HSZRJFAPSA-N 1 0 377.463 3.844 20 30 GHEDRO Cc1cc(N2CCN(c3nc(Cl)c(F)cc3C#N)CC2)c2ccccc2[nH+]1 ZINC001164199905 1026449306 /nfs/dbraw/zinc/44/93/06/1026449306.db2.gz XJGPYMVMCDITNO-UHFFFAOYSA-N 1 0 381.842 3.929 20 30 GHEDRO C[C@@]1(CNC(=O)C(F)(F)c2ccccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001139617593 1026482059 /nfs/dbraw/zinc/48/20/59/1026482059.db2.gz VHNBMWABRJSZDM-NRFANRHFSA-N 1 0 383.442 3.678 20 30 GHEDRO CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2CF)CC1 ZINC001139646118 1026506831 /nfs/dbraw/zinc/50/68/31/1026506831.db2.gz JMEOYIWSBNNZCO-IAGOWNOFSA-N 1 0 391.462 3.772 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)c1 ZINC001139647732 1026508020 /nfs/dbraw/zinc/50/80/20/1026508020.db2.gz OCRPQYDMTDKMNT-UHFFFAOYSA-N 1 0 389.474 3.988 20 30 GHEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c1 ZINC001139647976 1026509373 /nfs/dbraw/zinc/50/93/73/1026509373.db2.gz URUBEKKJNNXCNO-HXUWFJFHSA-N 1 0 395.478 3.790 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(C)nc3cc(C)ccn31)[C@@H]2CC ZINC001139677297 1026533283 /nfs/dbraw/zinc/53/32/83/1026533283.db2.gz FDQDOIAOGLMWCE-OFNKIYASSA-N 1 0 380.536 3.873 20 30 GHEDRO N#Cc1cccc2c(C[N@H+]3CC[C@@]4(CC(=O)N(c5ccc(F)cc5)C4)C3)c[nH]c21 ZINC001139701455 1026546933 /nfs/dbraw/zinc/54/69/33/1026546933.db2.gz MEHHWWKXPAHNCN-HSZRJFAPSA-N 1 0 388.446 3.808 20 30 GHEDRO N#Cc1cccc2c(C[NH+]3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)c[nH]c21 ZINC001139701942 1026547537 /nfs/dbraw/zinc/54/75/37/1026547537.db2.gz UDZZYMSGAXJDCT-NRFANRHFSA-N 1 0 384.483 3.535 20 30 GHEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@H]4[C@@H](CCN4Cc4nccs4)C3)c[nH]c21 ZINC001139704993 1026549874 /nfs/dbraw/zinc/54/98/74/1026549874.db2.gz IMJKBSBXFBGSDQ-LPHOPBHVSA-N 1 0 377.517 3.592 20 30 GHEDRO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2ccc(C)c(C#N)c2)CC3)cs1 ZINC001139723736 1026565771 /nfs/dbraw/zinc/56/57/71/1026565771.db2.gz GATAURGVQHHMJB-UHFFFAOYSA-N 1 0 394.544 3.789 20 30 GHEDRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)cc1C#N ZINC001139725618 1026570228 /nfs/dbraw/zinc/57/02/28/1026570228.db2.gz WBJISYBYFZQRES-UHFFFAOYSA-N 1 0 388.515 3.780 20 30 GHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001165083357 1026594985 /nfs/dbraw/zinc/59/49/85/1026594985.db2.gz HFXKAGOLFSCMOU-IRXDYDNUSA-N 1 0 388.849 3.862 20 30 GHEDRO Cc1cnc(N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)n1 ZINC001165139099 1026631200 /nfs/dbraw/zinc/63/12/00/1026631200.db2.gz HEUXHZDMNGWNCT-JOCHJYFZSA-N 1 0 383.499 3.938 20 30 GHEDRO N#Cc1nc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c(Cl)cc1Cl ZINC001165267453 1026685705 /nfs/dbraw/zinc/68/57/05/1026685705.db2.gz COFWLRKZDPJSLR-ZDUSSCGKSA-N 1 0 379.213 3.771 20 30 GHEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)c1 ZINC001139876695 1026691254 /nfs/dbraw/zinc/69/12/54/1026691254.db2.gz JRSYOBUXLQOTTE-OAQYLSRUSA-N 1 0 383.492 3.887 20 30 GHEDRO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1 ZINC001139877073 1026693410 /nfs/dbraw/zinc/69/34/10/1026693410.db2.gz WNBYHIUOHAYMFX-HSZRJFAPSA-N 1 0 395.453 3.851 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cncc5ccccc54)C3)CC2=O)c1 ZINC001139895088 1026710821 /nfs/dbraw/zinc/71/08/21/1026710821.db2.gz AKBWNKUPSCWYRT-XMMPIXPASA-N 1 0 382.467 3.735 20 30 GHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c12 ZINC001165433808 1026727184 /nfs/dbraw/zinc/72/71/84/1026727184.db2.gz KSFPYMYCHJUTFW-WCQYABFASA-N 1 0 376.838 3.721 20 30 GHEDRO C=CCOc1cc(C)nc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165479324 1026741775 /nfs/dbraw/zinc/74/17/75/1026741775.db2.gz WNORUYCBMNLSBF-SIKLNZKXSA-N 1 0 398.482 3.538 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)CC[C@H]21 ZINC001140110909 1026892504 /nfs/dbraw/zinc/89/25/04/1026892504.db2.gz UWVJWIGWNTXMRL-OXJNMPFZSA-N 1 0 380.492 3.871 20 30 GHEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@H](c4noc(C(F)(F)F)n4)C3)c2c1 ZINC001140115069 1026897425 /nfs/dbraw/zinc/89/74/25/1026897425.db2.gz LRSQBOWRKKKSRU-LBPRGKRZSA-N 1 0 375.354 3.821 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c(F)c1 ZINC001140138037 1026912227 /nfs/dbraw/zinc/91/22/27/1026912227.db2.gz DFRSUKSTVFCJEE-PKTZIBPZSA-N 1 0 395.478 3.680 20 30 GHEDRO COCC[N@H+](Cc1ccc(C#N)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140139143 1026913202 /nfs/dbraw/zinc/91/32/02/1026913202.db2.gz IOOHMLTWRQMTPZ-UHFFFAOYSA-N 1 0 391.487 3.545 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)ccc1C ZINC001140159221 1026933118 /nfs/dbraw/zinc/93/31/18/1026933118.db2.gz WGOMBRHJZXZKTH-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4[nH+]ccc5[nH]ccc54)C3)C2)c1 ZINC001166451538 1027005029 /nfs/dbraw/zinc/00/50/29/1027005029.db2.gz OBNOXAJDCKBNEI-HSZRJFAPSA-N 1 0 387.487 3.558 20 30 GHEDRO O=C(NCC[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1)C1N=CC=CC1=O ZINC001461189561 1069432910 /nfs/dbraw/zinc/43/29/10/1069432910.db2.gz FVSSYDWCWJLPRG-MRCUWXFGSA-N 1 0 381.863 3.623 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC001461203873 1069440967 /nfs/dbraw/zinc/44/09/67/1069440967.db2.gz DLCMROXMYLUVLK-UHFFFAOYSA-N 1 0 396.874 3.518 20 30 GHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001210117970 1027345465 /nfs/dbraw/zinc/34/54/65/1027345465.db2.gz QVSPNJWLSHBZPX-UHFFFAOYSA-N 1 0 378.476 3.698 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNc2cc[nH+]c3cc(OC)c(OC)cc23)c1 ZINC000840261935 1027390352 /nfs/dbraw/zinc/39/03/52/1027390352.db2.gz AKDPXCCOWZJKHJ-MRXNPFEDSA-N 1 0 377.444 3.967 20 30 GHEDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3ccc(-c4ccccc4C#N)cc3)C[C@H]1[N@@H+]2C ZINC001210247223 1027401274 /nfs/dbraw/zinc/40/12/74/1027401274.db2.gz RUAPDRCWZFBBDG-NEUULRRLSA-N 1 0 390.483 3.909 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccc(OCC)c3O)C2)CC1 ZINC001203602387 1027466737 /nfs/dbraw/zinc/46/67/37/1027466737.db2.gz SYLUAWVNOPHCDI-UHFFFAOYSA-N 1 0 388.508 3.792 20 30 GHEDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)cc1C ZINC001203753649 1027575574 /nfs/dbraw/zinc/57/55/74/1027575574.db2.gz FRRGJOFJRLQJKY-DEOSSOPVSA-N 1 0 389.499 3.813 20 30 GHEDRO N#Cc1ccc(Br)cc1CN1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001141899813 1027618140 /nfs/dbraw/zinc/61/81/40/1027618140.db2.gz QHWZPUZOLMOEIZ-VQTJNVASSA-N 1 0 397.320 3.565 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)ccc1OC(C)=O ZINC001203830780 1027641009 /nfs/dbraw/zinc/64/10/09/1027641009.db2.gz UQQYUHAOPHFOLC-HXUWFJFHSA-N 1 0 380.444 3.536 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC001203902027 1027694957 /nfs/dbraw/zinc/69/49/57/1027694957.db2.gz VIZFJHHSTUBSQG-XMMPIXPASA-N 1 0 382.467 3.689 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC001203902316 1027695805 /nfs/dbraw/zinc/69/58/05/1027695805.db2.gz ZKNJSUKWZQKHQL-GOTSBHOMSA-N 1 0 377.488 3.541 20 30 GHEDRO N#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001203903456 1027696161 /nfs/dbraw/zinc/69/61/61/1027696161.db2.gz UWLGVCPPLIGWJZ-ZEQRLZLVSA-N 1 0 379.548 3.519 20 30 GHEDRO COC[C@@H]1CC2(CN1Cc1nccs1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902868 1027696276 /nfs/dbraw/zinc/69/62/76/1027696276.db2.gz MSBPDWZFEYHTEG-FQEVSTJZSA-N 1 0 396.560 3.518 20 30 GHEDRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)Oc2ccccc21 ZINC001203904104 1027696435 /nfs/dbraw/zinc/69/64/35/1027696435.db2.gz VUKPKURLGAJNST-FQEVSTJZSA-N 1 0 389.499 3.595 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)cc1 ZINC001203903561 1027696498 /nfs/dbraw/zinc/69/64/98/1027696498.db2.gz IHHTZXSRKVJZJG-XZOQPEGZSA-N 1 0 377.488 3.541 20 30 GHEDRO CSc1nc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1C#N ZINC001141937336 1027706835 /nfs/dbraw/zinc/70/68/35/1027706835.db2.gz WJJLXPSPDMHNMU-UHFFFAOYSA-N 1 0 393.560 3.558 20 30 GHEDRO C#CCN1CC[C@]2(CC[N@@H+](Cc3cc(Br)cc(C(C)C)c3)C2)C1=O ZINC001276692485 1027731715 /nfs/dbraw/zinc/73/17/15/1027731715.db2.gz DFVBOUZCKTZVML-FQEVSTJZSA-N 1 0 389.337 3.630 20 30 GHEDRO COc1ccc(O)c(/C=N/C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000840705983 1027746203 /nfs/dbraw/zinc/74/62/03/1027746203.db2.gz JLLGJIPJNBRFGV-NFCNUSAFSA-N 1 0 394.515 3.749 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](Cc2nccs2)C1)C(C)C ZINC001211221483 1027841672 /nfs/dbraw/zinc/84/16/72/1027841672.db2.gz FDTVJUYWFOWVHM-RBUKOAKNSA-N 1 0 390.597 3.806 20 30 GHEDRO Cc1cc(Nc2ccncc2C#N)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001214009984 1028505399 /nfs/dbraw/zinc/50/53/99/1028505399.db2.gz VJVYOVQQYDWSGN-UHFFFAOYSA-N 1 0 386.503 3.536 20 30 GHEDRO C#C[C@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1ccc(Cl)cc1 ZINC001214345969 1028684732 /nfs/dbraw/zinc/68/47/32/1028684732.db2.gz UQILWHVUTXGPJS-NRFANRHFSA-N 1 0 396.922 3.978 20 30 GHEDRO O=C(C1CC[NH+](Cc2ccncc2)CC1)N1CCC(C#Cc2ccccc2)CC1 ZINC001142345049 1028727089 /nfs/dbraw/zinc/72/70/89/1028727089.db2.gz ZREUPOLZSWLUKM-UHFFFAOYSA-N 1 0 387.527 3.584 20 30 GHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(F)c1I ZINC001461460378 1069559706 /nfs/dbraw/zinc/55/97/06/1069559706.db2.gz GTQLYAOLYLYBPD-DOMZBBRYSA-N 1 0 375.225 3.501 20 30 GHEDRO N#Cc1ccc(-c2noc(-c3cccnc3O[C@@H]3CC[NH2+]C3)n2)c2ccccc12 ZINC001215012272 1028994479 /nfs/dbraw/zinc/99/44/79/1028994479.db2.gz PGSZCRLQNCNCIZ-OAHLLOKOSA-N 1 0 383.411 3.564 20 30 GHEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC001215484290 1029236071 /nfs/dbraw/zinc/23/60/71/1029236071.db2.gz GGRPYBGPGHBELL-UHFFFAOYSA-N 1 0 392.434 3.709 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(Br)nc1)C(C)C ZINC001215707731 1029358872 /nfs/dbraw/zinc/35/88/72/1029358872.db2.gz ZXQHXAQKWUVYCW-OAHLLOKOSA-N 1 0 381.318 3.664 20 30 GHEDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001142916245 1029688620 /nfs/dbraw/zinc/68/86/20/1029688620.db2.gz QMRNGSJNRWXKGO-MRXNPFEDSA-N 1 0 380.492 3.728 20 30 GHEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCN4Cc4nccs4)C3)c[nH]c2c1 ZINC001142928595 1029709598 /nfs/dbraw/zinc/70/95/98/1029709598.db2.gz DKYPPSHKRPAMMX-OXQOHEQNSA-N 1 0 377.517 3.592 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1nccnc1-c1ccc(Cl)cc1)CC2 ZINC001142968150 1029736447 /nfs/dbraw/zinc/73/64/47/1029736447.db2.gz HYBABJJMBJNUFQ-UHFFFAOYSA-N 1 0 396.922 3.940 20 30 GHEDRO N#Cc1cccc2[nH]cc(C(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)c21 ZINC001143020280 1029786826 /nfs/dbraw/zinc/78/68/26/1029786826.db2.gz ZDSAXDWMUBMETM-UHFFFAOYSA-N 1 0 386.499 3.820 20 30 GHEDRO C[N@@H+]1C[C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000843310660 1029907567 /nfs/dbraw/zinc/90/75/67/1029907567.db2.gz CTLZTLDQAWQWTI-MOPGFXCFSA-N 1 0 379.508 3.582 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3ccc(C(=O)OC)cc13)C2 ZINC001143232806 1029931135 /nfs/dbraw/zinc/93/11/35/1029931135.db2.gz LQCKOKYOYFQKAB-JTHBVZDNSA-N 1 0 398.503 3.528 20 30 GHEDRO C#C[C@@H](NC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccc(Cl)cc1 ZINC001216798825 1029941196 /nfs/dbraw/zinc/94/11/96/1029941196.db2.gz UPTMCJUODAQNOI-OAQYLSRUSA-N 1 0 396.922 3.978 20 30 GHEDRO CC[NH+]1CCN(Cc2ccc(-c3nc(-c4cc(C#N)ccc4F)no3)cc2)CC1 ZINC001216842962 1029958882 /nfs/dbraw/zinc/95/88/82/1029958882.db2.gz YQBMUDUVLDDPSG-UHFFFAOYSA-N 1 0 391.450 3.552 20 30 GHEDRO N#Cc1cnn2cc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)cnc12 ZINC000843397608 1029969889 /nfs/dbraw/zinc/96/98/89/1029969889.db2.gz YYSVVJBVRBCBQP-MSOLQXFVSA-N 1 0 381.505 3.531 20 30 GHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)cc1 ZINC000843413998 1029987924 /nfs/dbraw/zinc/98/79/24/1029987924.db2.gz QWPYXOUYWHHHAZ-KRWDZBQOSA-N 1 0 388.508 3.690 20 30 GHEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000843482009 1030035595 /nfs/dbraw/zinc/03/55/95/1030035595.db2.gz YXOWFKSFDDGGAT-XQGSBLGISA-N 1 0 384.520 3.511 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)c(OC)c1)CC2 ZINC001143342461 1030050217 /nfs/dbraw/zinc/05/02/17/1030050217.db2.gz KUFULLKBVHJKKV-UHFFFAOYSA-N 1 0 398.425 3.934 20 30 GHEDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4cc5cc(C#N)ccc5[nH]4)n3)c2)CC1 ZINC001217636589 1030560129 /nfs/dbraw/zinc/56/01/29/1030560129.db2.gz JMXCZHGCZLXZSB-UHFFFAOYSA-N 1 0 398.470 3.504 20 30 GHEDRO C#CCOc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC001223496602 1030605444 /nfs/dbraw/zinc/60/54/44/1030605444.db2.gz BXYPYSYETXFBTI-JOCHJYFZSA-N 1 0 379.504 3.581 20 30 GHEDRO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(Cl)cc(C)cc3Cl)C2)C1=O ZINC001276895293 1030606608 /nfs/dbraw/zinc/60/66/08/1030606608.db2.gz RPKCTVBLXLJDGZ-IBGZPJMESA-N 1 0 381.303 3.829 20 30 GHEDRO N#Cc1ccccc1C[C@H]([NH3+])Cc1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217715336 1030624238 /nfs/dbraw/zinc/62/42/38/1030624238.db2.gz WKYIYDTUFXSSMS-IPMKNSEASA-N 1 0 378.863 3.978 20 30 GHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCc1ccccc1CS(=O)(=O)c1ccccc1 ZINC001217928167 1030674431 /nfs/dbraw/zinc/67/44/31/1030674431.db2.gz TUBRLZQOQCSOSI-FGZHOGPDSA-N 1 0 385.529 3.874 20 30 GHEDRO N#Cc1cc(Cc2nnc(O[C@H]3CCC[NH2+]C[C@@H]3F)c3ccccc23)ccc1F ZINC001217947175 1030681057 /nfs/dbraw/zinc/68/10/57/1030681057.db2.gz JLPWBEFYHPGKTK-FPOVZHCZSA-N 1 0 394.425 3.700 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O[C@H]3CCC[NH2+]CC3)c(C#N)c2)nc1C ZINC001217996697 1030712947 /nfs/dbraw/zinc/71/29/47/1030712947.db2.gz KPDNCQRIFGTFPR-INIZCTEOSA-N 1 0 385.489 3.688 20 30 GHEDRO S=c1nc(OC2C[NH2+]C2)c(N=Cc2ccccc2)c(N=Cc2ccccc2)[nH]1 ZINC001218052237 1030741861 /nfs/dbraw/zinc/74/18/61/1030741861.db2.gz FPVXMOLLGKBBGR-UHFFFAOYSA-N 1 0 389.484 3.617 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1OC1CC2(C1)CC[NH2+]C2 ZINC001218064184 1030751000 /nfs/dbraw/zinc/75/10/00/1030751000.db2.gz TYTLUGHUNLBZOJ-ZZZAPRPPSA-N 1 0 391.515 3.841 20 30 GHEDRO COc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218185773 1030811733 /nfs/dbraw/zinc/81/17/33/1030811733.db2.gz CHFFDJQPIZSQSJ-KYDICKRGSA-N 1 0 379.456 3.959 20 30 GHEDRO Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218187368 1030813525 /nfs/dbraw/zinc/81/35/25/1030813525.db2.gz XPCJXYVEXSGRCH-JEVNZTFSSA-N 1 0 391.515 3.982 20 30 GHEDRO CCCCCCCCC(=O)NCc1ccc(O[C@H]2C[NH2+]C[C@H]2C#N)c(OC)c1 ZINC001218202143 1030826210 /nfs/dbraw/zinc/82/62/10/1030826210.db2.gz YRLNYTSPUUKPAO-NQIIRXRSSA-N 1 0 387.524 3.552 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC(C)=O)cc2oc(-c3ccccc3)cc(=O)c12 ZINC001218206432 1030829562 /nfs/dbraw/zinc/82/95/62/1030829562.db2.gz KKMBBDNUYGYNOD-QFIPXVFZSA-N 1 0 391.423 3.682 20 30 GHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)cc(OC)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218209378 1030830501 /nfs/dbraw/zinc/83/05/01/1030830501.db2.gz XPPJCZRIOYLUMQ-OUZREKFBSA-N 1 0 395.455 3.602 20 30 GHEDRO C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[NH2+]CCC2=C)c1 ZINC001218210986 1030832878 /nfs/dbraw/zinc/83/28/78/1030832878.db2.gz ODCUZWIUICVELD-NRFANRHFSA-N 1 0 377.440 3.696 20 30 GHEDRO C=C1CC[NH2+]C[C@H]1Oc1c(C(C)=O)ccc(OCc2ccccc2)c1[N+](=O)[O-] ZINC001218210507 1030833030 /nfs/dbraw/zinc/83/30/30/1030833030.db2.gz DUDIRFJDWVSSSI-LJQANCHMSA-N 1 0 382.416 3.673 20 30 GHEDRO CC(C)=CCCC1=CC(=O)c2c(O)ccc(O[C@H]3CCC4(C[NH2+]C4)C3)c2C1=O ZINC001218236822 1030845086 /nfs/dbraw/zinc/84/50/86/1030845086.db2.gz CXJMCGVAVXLNDS-INIZCTEOSA-N 1 0 381.472 3.965 20 30 GHEDRO COc1cc(O[C@H]2CCC3(C[NH2+]C3)C2)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218241179 1030847549 /nfs/dbraw/zinc/84/75/49/1030847549.db2.gz PVGBHMDHJXGXNV-QFXLTXBMSA-N 1 0 379.456 3.818 20 30 GHEDRO O=C1c2c(O)ccc(O[C@H]3CC[NH2+]C4(CCC4)C3)c2C(=O)C(Cl)=C1Cl ZINC001218307981 1030884124 /nfs/dbraw/zinc/88/41/24/1030884124.db2.gz FGDVOZHOVIAHTO-VIFPVBQESA-N 1 0 382.243 3.514 20 30 GHEDRO C=CCOc1ccc(S(=O)(=O)c2ccc(O[C@H]3CC[C@H](C)[NH2+]C3)cc2)cc1 ZINC001218407266 1030925223 /nfs/dbraw/zinc/92/52/23/1030925223.db2.gz OUDBKWXLMKEXCM-LPHOPBHVSA-N 1 0 387.501 3.604 20 30 GHEDRO C=CCc1c(O[C@@H]2CC[C@@H](C)[NH2+]C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001218408025 1030926269 /nfs/dbraw/zinc/92/62/69/1030926269.db2.gz OTKPFTKRCDWSTE-SJLPKXTDSA-N 1 0 375.472 3.634 20 30 GHEDRO C#C[C@@H](COc1cccc(Cl)c1)Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218439091 1030937024 /nfs/dbraw/zinc/93/70/24/1030937024.db2.gz QRSYRYKWRVYTKL-FQEVSTJZSA-N 1 0 384.907 3.723 20 30 GHEDRO COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001218478183 1030953239 /nfs/dbraw/zinc/95/32/39/1030953239.db2.gz WVPHPUGJALEZLU-IOMDMTNGSA-N 1 0 397.471 3.912 20 30 GHEDRO CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)Nc2cc(-c3ccc(F)cc3)sc2C#N)C1 ZINC001218542104 1030979803 /nfs/dbraw/zinc/97/98/03/1030979803.db2.gz QCCBWSYOTUSZCW-ZBFHGGJFSA-N 1 0 387.480 3.910 20 30 GHEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC001461724336 1069704461 /nfs/dbraw/zinc/70/44/61/1069704461.db2.gz PAAAJCDIYDMSDK-AUSIDOKSSA-N 1 0 391.515 3.695 20 30 GHEDRO CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001218705744 1031042399 /nfs/dbraw/zinc/04/23/99/1031042399.db2.gz CGVWKFRWOAMTGF-PMOLBWCYSA-N 1 0 399.498 3.734 20 30 GHEDRO C=CCCSCCNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001224762010 1031106058 /nfs/dbraw/zinc/10/60/58/1031106058.db2.gz JZKWTOAXKXCJPZ-PWRODBHTSA-N 1 0 387.593 3.896 20 30 GHEDRO CCOC(=O)[C@H](C#C[Si](C)(C)C)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224825991 1031138766 /nfs/dbraw/zinc/13/87/66/1031138766.db2.gz NIJIYTFQDMKYFJ-SFTDATJTSA-N 1 0 387.596 3.728 20 30 GHEDRO CCOC(=O)[C@H](C#C[Si](C)(C)C)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224825990 1031139213 /nfs/dbraw/zinc/13/92/13/1031139213.db2.gz NIJIYTFQDMKYFJ-RTWAWAEBSA-N 1 0 387.596 3.728 20 30 GHEDRO Cn1cc(C[C@H]([NH3+])C(=O)Nc2c(C#N)cccc2C(F)(F)F)c2ccccc21 ZINC001218954203 1031174224 /nfs/dbraw/zinc/17/42/24/1031174224.db2.gz YJBQDQPAFZIWCK-INIZCTEOSA-N 1 0 386.377 3.577 20 30 GHEDRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C#N)cc1N(C)C ZINC001219019986 1031215629 /nfs/dbraw/zinc/21/56/29/1031215629.db2.gz HMTCMKLHWBMEAU-UHFFFAOYSA-N 1 0 391.519 3.850 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3ccc(Br)c(C)c3C)CC2)C1=O ZINC001277026228 1031316060 /nfs/dbraw/zinc/31/60/60/1031316060.db2.gz OIQGMKHJWKUMST-UHFFFAOYSA-N 1 0 389.337 3.514 20 30 GHEDRO C[NH2+][C@@H](COCc1ccccc1)C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001219270877 1031335919 /nfs/dbraw/zinc/33/59/19/1031335919.db2.gz OFQAMNZIESYXDS-QHCPKHFHSA-N 1 0 385.467 3.969 20 30 GHEDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccc(C#N)cc4)cc3)C[C@H]1[N@@H+]2C ZINC001225333606 1031352463 /nfs/dbraw/zinc/35/24/63/1031352463.db2.gz IOEAJRMJWWSJKW-SNJCGAMXSA-N 1 0 376.456 3.771 20 30 GHEDRO C=C(Br)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001225431877 1031407566 /nfs/dbraw/zinc/40/75/66/1031407566.db2.gz GBCSWXLVJYDGFJ-ZDUSSCGKSA-N 1 0 395.128 3.804 20 30 GHEDRO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219482679 1031448842 /nfs/dbraw/zinc/44/88/42/1031448842.db2.gz HVULHVBYHIQDQY-OXJNMPFZSA-N 1 0 390.987 3.666 20 30 GHEDRO CCC[C@H]1CN(C(=O)Nc2cc(CC#N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001219701695 1031565195 /nfs/dbraw/zinc/56/51/95/1031565195.db2.gz VJTGYNOPWMGAEN-FQEVSTJZSA-N 1 0 377.492 3.666 20 30 GHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)c2)CC1 ZINC001153552981 1031646335 /nfs/dbraw/zinc/64/63/35/1031646335.db2.gz UEFZHZMUISPXQB-UHFFFAOYSA-N 1 0 387.487 3.822 20 30 GHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC001219912453 1031689479 /nfs/dbraw/zinc/68/94/79/1031689479.db2.gz QNEROSHPFNEDHD-PBHICJAKSA-N 1 0 396.457 3.971 20 30 GHEDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(C#Cc4ccc(F)cc4)cc3)C[C@H]1[N@@H+]2C ZINC001226004234 1031737090 /nfs/dbraw/zinc/73/70/90/1031737090.db2.gz HPYSNDWPAFMAAQ-IQFVJIFQSA-N 1 0 393.458 3.771 20 30 GHEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc(Br)cc(C)c2[nH]1 ZINC001153968698 1031845568 /nfs/dbraw/zinc/84/55/68/1031845568.db2.gz KAWOWFRIMGAFLI-HNNXBMFYSA-N 1 0 376.298 3.619 20 30 GHEDRO C#Cc1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC001220234870 1031851300 /nfs/dbraw/zinc/85/13/00/1031851300.db2.gz MCUBLYYQNVSMHG-UHFFFAOYSA-N 1 0 389.927 3.678 20 30 GHEDRO CC(C)[C@@H]1CCc2nc(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2C1 ZINC001220327549 1031897947 /nfs/dbraw/zinc/89/79/47/1031897947.db2.gz HWEHTNJUIXBOFD-OAHLLOKOSA-N 1 0 377.558 3.603 20 30 GHEDRO C=CCOc1ccccc1[C@@H](C)NC(=O)C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1 ZINC001220664229 1032052087 /nfs/dbraw/zinc/05/20/87/1032052087.db2.gz ZNZRWFOYROAGTE-HLAWJBBLSA-N 1 0 394.515 3.766 20 30 GHEDRO N#Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)ccc1F ZINC001205473453 1033428004 /nfs/dbraw/zinc/42/80/04/1033428004.db2.gz ZWRPRGDBXVAZQB-UHFFFAOYSA-N 1 0 392.478 3.611 20 30 GHEDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1=O ZINC001205473380 1033428397 /nfs/dbraw/zinc/42/83/97/1033428397.db2.gz XGMWVGBOOIYEIZ-HXUWFJFHSA-N 1 0 377.463 3.535 20 30 GHEDRO Cc1cc(N2CCN(C(=O)c3cccc4c(C#N)c[nH]c43)CC2)c2ccccc2[nH+]1 ZINC001157165231 1033440715 /nfs/dbraw/zinc/44/07/15/1033440715.db2.gz GPGRIGMAEPDHTF-UHFFFAOYSA-N 1 0 395.466 3.859 20 30 GHEDRO Oc1ccccc1/C=N/CC/N=C/c1ccccc1OC1CCN(CCF)CC1 ZINC001229380342 1033448835 /nfs/dbraw/zinc/44/88/35/1033448835.db2.gz LKRSBNSJNOJRAM-RPCRKUJJSA-N 1 0 397.494 3.743 20 30 GHEDRO Cc1cc(C2OCCO2)c(C)cc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001205710960 1033542820 /nfs/dbraw/zinc/54/28/20/1033542820.db2.gz UCBZRBJXEYDKBS-UHFFFAOYSA-N 1 0 393.531 3.784 20 30 GHEDRO Cc1cccc2nc(Cl)c(C#N)c(N(c3cnccn3)C3CC[NH2+]CC3)c12 ZINC001157545096 1033650644 /nfs/dbraw/zinc/65/06/44/1033650644.db2.gz VIVDXPKMMRRPDO-UHFFFAOYSA-N 1 0 378.867 3.748 20 30 GHEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(C)c(I)c2)no1 ZINC001206099765 1033719014 /nfs/dbraw/zinc/71/90/14/1033719014.db2.gz CUEVTUDRUVKXJD-UHFFFAOYSA-N 1 0 395.244 3.759 20 30 GHEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001206202268 1033762555 /nfs/dbraw/zinc/76/25/55/1033762555.db2.gz CHWYIQIXQRGHNQ-ZIAGYGMSSA-N 1 0 396.329 3.960 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@](F)(C[NH3+])C3)cc2c1Cl ZINC001157817516 1033779946 /nfs/dbraw/zinc/77/99/46/1033779946.db2.gz WTPGULNMZJNSEZ-HNNXBMFYSA-N 1 0 389.208 3.835 20 30 GHEDRO N#CC1(c2ccc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)nc2)CCOCC1 ZINC001158136928 1033930319 /nfs/dbraw/zinc/93/03/19/1033930319.db2.gz LOWDVSOKWVFZKY-UHFFFAOYSA-N 1 0 395.894 3.537 20 30 GHEDRO Cc1c(Cl)c(Cl)nc(N(c2ccncc2F)C2CC[NH2+]CC2)c1C#N ZINC001158334526 1034028073 /nfs/dbraw/zinc/02/80/73/1034028073.db2.gz VKDZCJBDPZXHOD-UHFFFAOYSA-N 1 0 380.254 3.993 20 30 GHEDRO C=CCc1c(F)c(F)c(C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c(F)c1F ZINC001158334749 1034029824 /nfs/dbraw/zinc/02/98/24/1034029824.db2.gz FTTQPFBZUICYAV-LSDHHAIUSA-N 1 0 390.380 3.683 20 30 GHEDRO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H](C)C[NH+](C)C)c1OC ZINC001230440196 1034058090 /nfs/dbraw/zinc/05/80/90/1034058090.db2.gz LQWIVGKTRFIHHY-RUMSDORHSA-N 1 0 385.460 3.634 20 30 GHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[N@@H+]4CC[C@@H]4C3)cc2c1Cl ZINC001158435543 1034077256 /nfs/dbraw/zinc/07/72/56/1034077256.db2.gz FHRBCXZFGSLKND-LLVKDONJSA-N 1 0 383.229 3.852 20 30 GHEDRO C#C[C@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001230488739 1034086256 /nfs/dbraw/zinc/08/62/56/1034086256.db2.gz BUSATMBJCIITMM-YADHBBJMSA-N 1 0 395.934 3.973 20 30 GHEDRO N#Cc1c(N[C@H]2CCc3c2cccc3OC(F)(F)F)ncc2c1CCC[NH2+]C2 ZINC001158461397 1034089073 /nfs/dbraw/zinc/08/90/73/1034089073.db2.gz LVCKUBBHXKYECC-KRWDZBQOSA-N 1 0 388.393 3.987 20 30 GHEDRO C#C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccc(Cl)cc1F ZINC001230510806 1034096420 /nfs/dbraw/zinc/09/64/20/1034096420.db2.gz MSMCXWZMKSNRQR-JTDSTZFVSA-N 1 0 377.891 3.810 20 30 GHEDRO C[C@H]1C[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001207175209 1034145988 /nfs/dbraw/zinc/14/59/88/1034145988.db2.gz RCUCFISLUUABNO-ICSRJNTNSA-N 1 0 398.551 3.716 20 30 GHEDRO CCOc1ccc([C@H](NC(=O)NCC#CC[NH+](C)C)c2cccc(Cl)c2)cc1 ZINC001230651174 1034163975 /nfs/dbraw/zinc/16/39/75/1034163975.db2.gz QGGGKMLIEJDSMO-NRFANRHFSA-N 1 0 399.922 3.692 20 30 GHEDRO C=CCN(CC[N@H+]1CCC[C@@H](c2nc(CCC)no2)C1)C(=O)OC(C)(C)C ZINC001207203740 1034169997 /nfs/dbraw/zinc/16/99/97/1034169997.db2.gz OWFHHKZAWIQLBN-MRXNPFEDSA-N 1 0 378.517 3.625 20 30 GHEDRO C=CCN(CC[N@@H+](C)C[C@H]1Cc2cc(OC)c(OC)cc21)C(=O)OC(C)(C)C ZINC001207203442 1034170843 /nfs/dbraw/zinc/17/08/43/1034170843.db2.gz CZJKGELPFYSRHR-QGZVFWFLSA-N 1 0 390.524 3.698 20 30 GHEDRO C=CCN(CC[NH+]1CCC(CC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001207203971 1034172182 /nfs/dbraw/zinc/17/21/82/1034172182.db2.gz XFHRZONOAXSMMK-UHFFFAOYSA-N 1 0 382.545 3.853 20 30 GHEDRO C=CCN(CC[NH+]1CCC(C(=O)OCC)(C(C)C)CC1)C(=O)OC(C)(C)C ZINC001207204407 1034172707 /nfs/dbraw/zinc/17/27/07/1034172707.db2.gz MHAHINVFIOXDIN-UHFFFAOYSA-N 1 0 382.545 3.711 20 30 GHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCc2ccc(C[NH3+])nc21 ZINC001158647665 1034214516 /nfs/dbraw/zinc/21/45/16/1034214516.db2.gz RGOLEHSGKDHYQE-UHFFFAOYSA-N 1 0 384.217 3.616 20 30 GHEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC001158739074 1034254478 /nfs/dbraw/zinc/25/44/78/1034254478.db2.gz USYHNDWYGVVDDZ-DLBZAZTESA-N 1 0 393.491 3.666 20 30 GHEDRO C#CCN1CCC2(CC[NH+](Cc3c(C)cc(Br)cc3C)CC2)C1=O ZINC001277467705 1034264086 /nfs/dbraw/zinc/26/40/86/1034264086.db2.gz WIHOPZAWWRESGE-UHFFFAOYSA-N 1 0 389.337 3.514 20 30 GHEDRO Cc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001230917924 1034287504 /nfs/dbraw/zinc/28/75/04/1034287504.db2.gz RQJLXZPTKBGPMB-GHTZIAJQSA-N 1 0 376.504 3.577 20 30 GHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](CCc1ccc(Br)cc1)CC2 ZINC001207377161 1034320910 /nfs/dbraw/zinc/32/09/10/1034320910.db2.gz AMNFIZSHZXGKKM-UHFFFAOYSA-N 1 0 393.325 3.712 20 30 GHEDRO C#C[C@@H](C)Oc1cc2c(cc1OC)C[N@+]1(C)CCc3cc(OC)c(O)cc3[C@@H]1C2 ZINC001231125853 1034413587 /nfs/dbraw/zinc/41/35/87/1034413587.db2.gz WSOOVQLUGADWQB-JUCRVNNTSA-O 1 0 394.491 3.610 20 30 GHEDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC001159140034 1034444930 /nfs/dbraw/zinc/44/49/30/1034444930.db2.gz JRXWGVNCEBXHGB-IFMALSPDSA-N 1 0 383.536 3.829 20 30 GHEDRO CCOC(=O)[C@@H]1CCCc2sc(Nc3cccc(OCC[NH3+])c3)c(C#N)c21 ZINC001159166647 1034462974 /nfs/dbraw/zinc/46/29/74/1034462974.db2.gz DBQQYNUHMKKJRV-OAHLLOKOSA-N 1 0 385.489 3.684 20 30 GHEDRO CCOC(=O)[C@@H]1CCCc2sc(Nc3cccc4c3CC[NH2+]C4)c(C#N)c21 ZINC001159166611 1034463032 /nfs/dbraw/zinc/46/30/32/1034463032.db2.gz BKRVPKAQDMHKCQ-OAHLLOKOSA-N 1 0 381.501 3.992 20 30 GHEDRO N#Cc1ccc(-c2csc(Nc3ccc(CN4CC[NH2+]CC4)cc3)n2)s1 ZINC001159399845 1034581766 /nfs/dbraw/zinc/58/17/66/1034581766.db2.gz IDFLIZYYCKJOEC-UHFFFAOYSA-N 1 0 381.530 3.892 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)C2 ZINC001231522695 1034673078 /nfs/dbraw/zinc/67/30/78/1034673078.db2.gz RSTSYTLWEYHZSM-MOPGFXCFSA-N 1 0 385.426 3.985 20 30 GHEDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3ncccc3C#N)c3nccc2-3)cc1 ZINC001159577158 1034676850 /nfs/dbraw/zinc/67/68/50/1034676850.db2.gz JCLQDNKVIYHUTN-CQSZACIVSA-N 1 0 382.427 3.516 20 30 GHEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ncc1C#N ZINC001208079728 1034727864 /nfs/dbraw/zinc/72/78/64/1034727864.db2.gz UZLXEDDDYOUFSN-LJQANCHMSA-N 1 0 377.492 3.684 20 30 GHEDRO COc1cccc(C(F)(F)F)c1Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001159748944 1034732333 /nfs/dbraw/zinc/73/23/33/1034732333.db2.gz QQRYWMHXJJFKQG-UHFFFAOYSA-N 1 0 376.382 3.739 20 30 GHEDRO COc1c(F)cc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1C(F)(F)F ZINC001159749182 1034732437 /nfs/dbraw/zinc/73/24/37/1034732437.db2.gz YVUVTRGFFQWSNW-UHFFFAOYSA-N 1 0 394.372 3.878 20 30 GHEDRO C#CC[C@]1(C(=O)N2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)CCC[NH2+]1 ZINC001159768832 1034737018 /nfs/dbraw/zinc/73/70/18/1034737018.db2.gz CLSAXGDDRHSKPS-RUZDIDTESA-N 1 0 388.511 3.899 20 30 GHEDRO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)c(F)c(Cl)c3)CC2)C1=O ZINC001277536838 1034772177 /nfs/dbraw/zinc/77/21/77/1034772177.db2.gz OANCIMNVUJBMRO-IBGZPJMESA-N 1 0 383.294 3.970 20 30 GHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC001231618598 1034776579 /nfs/dbraw/zinc/77/65/79/1034776579.db2.gz OUCANUDVUNNGBJ-UHFFFAOYSA-N 1 0 376.460 3.579 20 30 GHEDRO N#Cc1cc(Nc2ccc3c(c2Br)C(=O)CC3)cc(C2C[NH2+]C2)c1 ZINC001159899191 1034780512 /nfs/dbraw/zinc/78/05/12/1034780512.db2.gz DABJCSRJLNJJHN-UHFFFAOYSA-N 1 0 382.261 3.880 20 30 GHEDRO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c(O)cc1O ZINC001231637653 1034795001 /nfs/dbraw/zinc/79/50/01/1034795001.db2.gz PMBWPWSODWLLCA-UHFFFAOYSA-N 1 0 388.851 3.675 20 30 GHEDRO C#Cc1cccc(C[NH+]2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)c1 ZINC001231655037 1034812713 /nfs/dbraw/zinc/81/27/13/1034812713.db2.gz KGGSAPMNJSBYCJ-UHFFFAOYSA-N 1 0 379.529 3.590 20 30 GHEDRO C#Cc1cccc(C[N@@H+](C)C2CCN(Cc3c(OC)cccc3OC)CC2)c1 ZINC001231659903 1034816275 /nfs/dbraw/zinc/81/62/75/1034816275.db2.gz WRSOVTATJLUCDQ-UHFFFAOYSA-N 1 0 378.516 3.782 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001160105129 1034862274 /nfs/dbraw/zinc/86/22/74/1034862274.db2.gz YAQBMDJDEUVJBN-WAYWQWQTSA-N 1 0 392.343 3.809 20 30 GHEDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001208405795 1034885365 /nfs/dbraw/zinc/88/53/65/1034885365.db2.gz LHQNLVLNIPOZEV-OXJNMPFZSA-N 1 0 378.476 3.599 20 30 GHEDRO COc1ccc(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1C#N ZINC001208406169 1034886202 /nfs/dbraw/zinc/88/62/02/1034886202.db2.gz XYAMMKYUYPICCH-MJGOQNOKSA-N 1 0 392.503 3.989 20 30 GHEDRO N#Cc1cc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)ccc1OC1CCOCC1 ZINC001160235866 1034912499 /nfs/dbraw/zinc/91/24/99/1034912499.db2.gz XKJKFCSGTNCKQY-FQEVSTJZSA-N 1 0 393.487 3.990 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1C)CC2 ZINC001231795631 1034912916 /nfs/dbraw/zinc/91/29/16/1034912916.db2.gz NCAMGSYWRSQHLS-DEOSSOPVSA-N 1 0 390.531 3.985 20 30 GHEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001231815755 1034925224 /nfs/dbraw/zinc/92/52/24/1034925224.db2.gz AARJUIPVNBBUGL-UHFFFAOYSA-N 1 0 384.524 3.622 20 30 GHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Nc1cccc(CC#N)n1 ZINC001208561911 1034934427 /nfs/dbraw/zinc/93/44/27/1034934427.db2.gz ZZRBUJGANYTINW-FQEVSTJZSA-N 1 0 377.492 3.666 20 30 GHEDRO C#CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001208601311 1034952360 /nfs/dbraw/zinc/95/23/60/1034952360.db2.gz YSOSDWDDFYPMKU-HSZRJFAPSA-N 1 0 388.515 3.638 20 30 GHEDRO C=C(CC[NH+](C)C)C(=O)N1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001160373870 1034960093 /nfs/dbraw/zinc/96/00/93/1034960093.db2.gz CGLFVOQXCBGOET-IYBDPMFKSA-N 1 0 383.458 3.639 20 30 GHEDRO CC(=O)N1CCC(C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)CC1 ZINC001208678181 1034979139 /nfs/dbraw/zinc/97/91/39/1034979139.db2.gz NAIUYMLMABKQTG-UHFFFAOYSA-N 1 0 386.499 3.691 20 30 GHEDRO N#Cc1c(Cl)ccnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001160616044 1035016634 /nfs/dbraw/zinc/01/66/34/1035016634.db2.gz BLRSTCRUDWAHFJ-RTBURBONSA-N 1 0 380.835 3.871 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(Cl)cnc1F)CC2 ZINC001231991832 1035027761 /nfs/dbraw/zinc/02/77/61/1035027761.db2.gz IJSIVZIDHOKHHY-UHFFFAOYSA-N 1 0 381.879 3.875 20 30 GHEDRO C=CCN1CC[NH+](CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001208824635 1035042751 /nfs/dbraw/zinc/04/27/51/1035042751.db2.gz XSWLQILXUHDOOA-UHFFFAOYSA-N 1 0 397.560 3.742 20 30 GHEDRO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(Br)[nH]c4ccccc43)C2)C1=O ZINC001277601758 1035049996 /nfs/dbraw/zinc/04/99/96/1035049996.db2.gz SEKWIVPQJKUUEP-LJQANCHMSA-N 1 0 388.309 3.541 20 30 GHEDRO CSc1nc(-c2ccccc2)nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1C#N ZINC001160738911 1035050917 /nfs/dbraw/zinc/05/09/17/1035050917.db2.gz KZZOKPFJYIYJIF-KGLIPLIRSA-N 1 0 393.438 3.689 20 30 GHEDRO CCCCC[C@H]([NH2+]C)C(=O)N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001160751192 1035056707 /nfs/dbraw/zinc/05/67/07/1035056707.db2.gz SVEJBTRGMHKQOT-IBGZPJMESA-N 1 0 377.916 3.750 20 30 GHEDRO N#Cc1cccc(CCC[N@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1 ZINC001208850011 1035056756 /nfs/dbraw/zinc/05/67/56/1035056756.db2.gz SUVMTCABLOOONK-UHFFFAOYSA-N 1 0 388.515 3.514 20 30 GHEDRO N#Cc1ccc(CCC[N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)cc1 ZINC001208861123 1035064010 /nfs/dbraw/zinc/06/40/10/1035064010.db2.gz CLTRZPIRGCMJRF-UHFFFAOYSA-N 1 0 387.487 3.567 20 30 GHEDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCCc3ccc(C#N)cc3)C[C@@H]21 ZINC001208862165 1035064421 /nfs/dbraw/zinc/06/44/21/1035064421.db2.gz USWXCZMDPBTHII-VABKMULXSA-N 1 0 388.515 3.532 20 30 GHEDRO CC[N@H+](CCCc1ccc(C#N)cc1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001208863689 1035065782 /nfs/dbraw/zinc/06/57/82/1035065782.db2.gz JZNSUIMAHXTURU-DEOSSOPVSA-N 1 0 377.532 3.714 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3cc4ncccc4[nH]3)C[C@@H]2c2ccccc2)C1=O ZINC001232062751 1035071969 /nfs/dbraw/zinc/07/19/69/1035071969.db2.gz HNMYRFZTHSPCDV-YKSBVNFPSA-N 1 0 386.499 3.567 20 30 GHEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208905643 1035082564 /nfs/dbraw/zinc/08/25/64/1035082564.db2.gz DHBNNJXUCQCYQA-DEOSSOPVSA-N 1 0 381.564 3.936 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C)nc3C)C[C@@H]2c2ccccc2)C1=O ZINC001232082220 1035084410 /nfs/dbraw/zinc/08/44/10/1035084410.db2.gz OGYDBBAOCJVMOV-VWNXMTODSA-N 1 0 375.516 3.703 20 30 GHEDRO N#Cc1ccc(CC[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)cc1 ZINC001208922141 1035089716 /nfs/dbraw/zinc/08/97/16/1035089716.db2.gz CIUPVLSTDMFRJP-JOCHJYFZSA-N 1 0 390.531 3.733 20 30 GHEDRO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CCc3ccc(C#N)cc3)O2)cs1 ZINC001208926722 1035091541 /nfs/dbraw/zinc/09/15/41/1035091541.db2.gz KKGQMBQYHRHWDB-YPAWHYETSA-N 1 0 397.544 3.704 20 30 GHEDRO C=CCOCc1ncn2c1CN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC001208932505 1035097181 /nfs/dbraw/zinc/09/71/81/1035097181.db2.gz BAXGHOITBIIPMF-QFIPXVFZSA-N 1 0 394.563 3.704 20 30 GHEDRO C=CCOC[C@@H]1CCC[C@@]12CN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208952413 1035125445 /nfs/dbraw/zinc/12/54/45/1035125445.db2.gz SBZILGPEOIFVRX-TZRRMPRUSA-N 1 0 384.564 3.582 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(NC(C)=O)cc2C)CC1 ZINC001232187165 1035153332 /nfs/dbraw/zinc/15/33/32/1035153332.db2.gz DAVHBXUZZSNJKT-UHFFFAOYSA-N 1 0 393.487 3.877 20 30 GHEDRO CC1(C)CCCc2cc(C#N)c(NC3CC[NH+](CC4CCOCC4)CC3)nc21 ZINC001161216160 1035183088 /nfs/dbraw/zinc/18/30/88/1035183088.db2.gz DKCHZZNYTIOMPD-UHFFFAOYSA-N 1 0 382.552 3.870 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+](CCCc3cccnc3)C[C@@H]2c2ccccc2)C1=O ZINC001209173591 1035199826 /nfs/dbraw/zinc/19/98/26/1035199826.db2.gz MCFVHBFDANCCLT-VWNXMTODSA-N 1 0 375.516 3.518 20 30 GHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CCc3cc(F)c(F)cc3F)C2)C1 ZINC001209250916 1035222029 /nfs/dbraw/zinc/22/20/29/1035222029.db2.gz PUVFQBCMPWDYNW-HXUWFJFHSA-N 1 0 382.426 3.757 20 30 GHEDRO COc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)ncc1C#N ZINC001161457512 1035234957 /nfs/dbraw/zinc/23/49/57/1035234957.db2.gz OZAFYIOIUFOBDO-YADHBBJMSA-N 1 0 399.498 3.827 20 30 GHEDRO C=CCCCCCCC[N@@H+]1Cc2nnn(C)c2[C@H](COCc2ccccn2)C1 ZINC001209442548 1035275116 /nfs/dbraw/zinc/27/51/16/1035275116.db2.gz XFFIWOAZNBVXPA-IBGZPJMESA-N 1 0 383.540 3.853 20 30 GHEDRO CC[C@H](CN1CCC(C#N)(c2ccccc2F)CC1)NC(=O)OC(C)(C)C ZINC001209475136 1035285924 /nfs/dbraw/zinc/28/59/24/1035285924.db2.gz ROFCGZWOXAAJOK-MRXNPFEDSA-N 1 0 375.488 3.986 20 30 GHEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3cc(OC)ncc3Cl)CC2)C1=O ZINC001276654219 1035316155 /nfs/dbraw/zinc/31/61/55/1035316155.db2.gz BALGAAGZLKZSRZ-HXUWFJFHSA-N 1 0 377.916 3.524 20 30 GHEDRO N#Cc1ccc(Cl)nc1C(F)(F)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161885291 1035321802 /nfs/dbraw/zinc/32/18/02/1035321802.db2.gz MOGIXYOZWBKIBM-INIZCTEOSA-N 1 0 376.838 3.910 20 30 GHEDRO Cc1ccc(Br)c(-c2noc(C[C@H]([NH3+])Cc3cccc(C#N)c3)n2)c1 ZINC001248155945 1035582827 /nfs/dbraw/zinc/58/28/27/1035582827.db2.gz ZTMDUFHWEBUMJS-OAHLLOKOSA-N 1 0 397.276 3.792 20 30 GHEDRO CSc1cc(F)c(-c2noc(C[C@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1F ZINC001248158170 1035584500 /nfs/dbraw/zinc/58/45/00/1035584500.db2.gz TXUJLCWLDXCBEO-CYBMUJFWSA-N 1 0 386.427 3.721 20 30 GHEDRO COc1ccc2cccc(-c3noc(C[C@H]([NH3+])Cc4ccc(C#N)cc4)n3)c2c1 ZINC001248157522 1035584626 /nfs/dbraw/zinc/58/46/26/1035584626.db2.gz MRYHBRNANOSAQS-GOSISDBHSA-N 1 0 384.439 3.883 20 30 GHEDRO CCCCCCCOc1ccc(-c2noc(COCCOCC[NH3+])n2)cc1 ZINC001248347544 1035767857 /nfs/dbraw/zinc/76/78/57/1035767857.db2.gz YAYGMACRJZWONQ-UHFFFAOYSA-N 1 0 377.485 3.578 20 30 GHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C)c(C#N)c2)CC1)CC1CC1 ZINC001248579494 1035968727 /nfs/dbraw/zinc/96/87/27/1035968727.db2.gz HUQXYRGNXGMLFB-UHFFFAOYSA-N 1 0 382.552 3.910 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(C)cccc3Br)C2)C1=O ZINC001248604318 1035984863 /nfs/dbraw/zinc/98/48/63/1035984863.db2.gz MLPVSDXAMXXXEV-LJQANCHMSA-N 1 0 377.326 3.758 20 30 GHEDRO Cc1noc2ccc(C[NH+]3CCC(NC(=O)Nc4ccc(C#N)cc4)CC3)cc12 ZINC001248713123 1036076673 /nfs/dbraw/zinc/07/66/73/1036076673.db2.gz ZZTSYPILLFGSCT-UHFFFAOYSA-N 1 0 389.459 3.794 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001248748708 1036106622 /nfs/dbraw/zinc/10/66/22/1036106622.db2.gz SZDKBXXWFMKEHX-HSZRJFAPSA-N 1 0 399.535 3.723 20 30 GHEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@@H]2C1 ZINC001248750469 1036107999 /nfs/dbraw/zinc/10/79/99/1036107999.db2.gz KSACXPPOZJVHNW-RPBOFIJWSA-N 1 0 387.527 3.885 20 30 GHEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001248750518 1036108775 /nfs/dbraw/zinc/10/87/75/1036108775.db2.gz MBGBJLRLENARIO-UHFFFAOYSA-N 1 0 396.560 3.696 20 30 GHEDRO N#Cc1cc(-c2cc(OC(F)(F)F)ccc2N)ccc1OC1CC[NH2+]CC1 ZINC001244198089 1036418695 /nfs/dbraw/zinc/41/86/95/1036418695.db2.gz PTYVULFMWYUIMJ-UHFFFAOYSA-N 1 0 377.366 3.837 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245524994 1036944298 /nfs/dbraw/zinc/94/42/98/1036944298.db2.gz YBPJQGUZEOGNMR-GOSISDBHSA-N 1 0 378.476 3.559 20 30 GHEDRO N#Cc1cc(Cl)c(NC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1C(F)(F)F ZINC001245976461 1037101323 /nfs/dbraw/zinc/10/13/23/1037101323.db2.gz VKDQQMCIENPTJT-DOTOQJQBSA-N 1 0 383.801 3.573 20 30 GHEDRO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC2)c(Cl)c1 ZINC001462161853 1070043622 /nfs/dbraw/zinc/04/36/22/1070043622.db2.gz CAZOWABZIONACA-IBGZPJMESA-N 1 0 380.923 3.860 20 30 GHEDRO CCCCCCCCCCCC[C@@H](O)C[N@@H+]1CCCO[C@@]2(CNCCOC2)C1 ZINC001246034551 1037152277 /nfs/dbraw/zinc/15/22/77/1037152277.db2.gz QGDPWVIQACRPSK-PKTZIBPZSA-N 1 0 398.632 3.739 20 30 GHEDRO ON=C(N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001246160248 1037217334 /nfs/dbraw/zinc/21/73/34/1037217334.db2.gz DNGLLBBZFPLXJE-DLBZAZTESA-N 1 0 393.409 3.674 20 30 GHEDRO C[NH+](C)CCN(Cc1csc(C#N)c1)Cc1ccc(Br)cc1 ZINC001462188339 1070065193 /nfs/dbraw/zinc/06/51/93/1070065193.db2.gz HOVAYSOBOHRAPV-UHFFFAOYSA-N 1 0 378.339 3.946 20 30 GHEDRO CSc1nc(-c2nc3c(cccc3F)n2CC2CC[NH2+]CC2)ccc1C#N ZINC001247033286 1037853028 /nfs/dbraw/zinc/85/30/28/1037853028.db2.gz QWWNVRDFFVIWGP-UHFFFAOYSA-N 1 0 381.480 3.831 20 30 GHEDRO CCCCCCCCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(CO)c1 ZINC001247167112 1037961423 /nfs/dbraw/zinc/96/14/23/1037961423.db2.gz PXFXYQWCLNYECX-UHFFFAOYSA-N 1 0 392.613 3.578 20 30 GHEDRO C=CCOc1ccc(-c2noc([C@@H](c3ccco3)N3CCC([NH3+])CC3)n2)c(F)c1 ZINC001247313434 1038104845 /nfs/dbraw/zinc/10/48/45/1038104845.db2.gz GHFZBBPDHOKFAX-LJQANCHMSA-N 1 0 398.438 3.546 20 30 GHEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC001232358875 1038138652 /nfs/dbraw/zinc/13/86/52/1038138652.db2.gz TXXVUVZHVYVXLS-VWNXMTODSA-N 1 0 394.515 3.987 20 30 GHEDRO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CCC(S)CC3)c2)nc1C ZINC001232452823 1038236189 /nfs/dbraw/zinc/23/61/89/1038236189.db2.gz AXNTVNZZYRXBGR-UHFFFAOYSA-N 1 0 392.546 3.895 20 30 GHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccc(Br)c1N)C2 ZINC001232523807 1038287925 /nfs/dbraw/zinc/28/79/25/1038287925.db2.gz VACWARZQFNQFKL-HKUYNNGSSA-N 1 0 395.341 3.605 20 30 GHEDRO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)c(C)s1)CC2 ZINC001277679887 1038314147 /nfs/dbraw/zinc/31/41/47/1038314147.db2.gz QORLABNPDPLFOL-AWEZNQCLSA-N 1 0 383.355 3.723 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(OCc3ccccc3)ccn1)CC2 ZINC001232587256 1038358101 /nfs/dbraw/zinc/35/81/01/1038358101.db2.gz MGAXZGSQQDPVOC-UHFFFAOYSA-N 1 0 391.515 3.804 20 30 GHEDRO N#Cc1ccc(F)c(-c2noc([C@@H]3Oc4ccccc4C34CC[NH2+]CC4)n2)c1 ZINC001247896840 1038469042 /nfs/dbraw/zinc/46/90/42/1038469042.db2.gz IFAWHEVHUPSVSK-SFHVURJKSA-N 1 0 376.391 3.502 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)s1 ZINC001232842738 1038593600 /nfs/dbraw/zinc/59/36/00/1038593600.db2.gz DAGXPHMZFMYYLW-JOCHJYFZSA-N 1 0 388.496 3.751 20 30 GHEDRO COc1ccc(CN2CC[C@]3(CCC[N@H+](Cc4ccc(C#N)s4)C3)C2=O)cc1 ZINC001232842489 1038593681 /nfs/dbraw/zinc/59/36/81/1038593681.db2.gz GWAHHOBBBFZOFQ-QFIPXVFZSA-N 1 0 395.528 3.643 20 30 GHEDRO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](Cc2ccc(C#N)s2)C3)n1 ZINC001232843900 1038595097 /nfs/dbraw/zinc/59/50/97/1038595097.db2.gz ZWYWLNGJVAKUIQ-VXKWHMMOSA-N 1 0 397.544 3.911 20 30 GHEDRO CCN(Cc1ccc(N(C)C)c(C#N)c1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233102210 1038884595 /nfs/dbraw/zinc/88/45/95/1038884595.db2.gz SJNJNUFECCVNKU-HXUWFJFHSA-N 1 0 380.511 3.860 20 30 GHEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001252132514 1038885278 /nfs/dbraw/zinc/88/52/78/1038885278.db2.gz IDMNDUIOBCGUCH-MSOLQXFVSA-N 1 0 376.516 3.967 20 30 GHEDRO CN(C)c1ccc(C[NH+]2CCC(n3cnc4ccccc43)CC2)c(F)c1C#N ZINC001233104054 1038889555 /nfs/dbraw/zinc/88/95/55/1038889555.db2.gz PFKZGARSNZDTRI-UHFFFAOYSA-N 1 0 377.467 3.950 20 30 GHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)CC1 ZINC001252308458 1038936953 /nfs/dbraw/zinc/93/69/53/1038936953.db2.gz RVIDIFWRYYAMNY-UHFFFAOYSA-N 1 0 382.552 3.795 20 30 GHEDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252340799 1038947691 /nfs/dbraw/zinc/94/76/91/1038947691.db2.gz VGFXWGMVOQPOSL-ZJNRKIDTSA-N 1 0 385.430 3.681 20 30 GHEDRO C[N@@H+]1CCc2c(C#N)c(NC[C@@H](O)COc3cccc4ccccc43)sc2C1 ZINC001252374075 1038962213 /nfs/dbraw/zinc/96/22/13/1038962213.db2.gz CFMPIRNGSRAPHT-MRXNPFEDSA-N 1 0 393.512 3.613 20 30 GHEDRO [NH2+]=C(NC[C@@H](O)COc1cccc2ccccc21)c1ccc2cc(O)ccc2c1 ZINC001252398375 1038980060 /nfs/dbraw/zinc/98/00/60/1038980060.db2.gz KCJKICKITIGUDM-OAQYLSRUSA-N 1 0 386.451 3.844 20 30 GHEDRO C=CCOC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC001252491124 1039003529 /nfs/dbraw/zinc/00/35/29/1039003529.db2.gz OQJXCTDFVFZFOR-RBUKOAKNSA-N 1 0 376.294 3.692 20 30 GHEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2nsc(NC(C)=O)c2-c2ccccc2)C1 ZINC001252604202 1039045070 /nfs/dbraw/zinc/04/50/70/1039045070.db2.gz OYXRKTZIULVPCZ-MSOLQXFVSA-N 1 0 385.533 3.885 20 30 GHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC001233288353 1039069520 /nfs/dbraw/zinc/06/95/20/1039069520.db2.gz HWYGJOQCEXEETQ-UYAOXDASSA-N 1 0 381.900 3.628 20 30 GHEDRO N#Cc1cc(Cl)cc(Cl)c1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252935754 1039274704 /nfs/dbraw/zinc/27/47/04/1039274704.db2.gz LKUGVOSWKKKOKC-LJQANCHMSA-N 1 0 376.287 3.914 20 30 GHEDRO N#Cc1ccc(C(F)(F)F)c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252938414 1039280323 /nfs/dbraw/zinc/28/03/23/1039280323.db2.gz NWDYEFXZMCCXJF-IBGZPJMESA-N 1 0 375.394 3.626 20 30 GHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)CC2 ZINC001233431280 1039303878 /nfs/dbraw/zinc/30/38/78/1039303878.db2.gz RINIQXWTMJKCSN-QFIPXVFZSA-N 1 0 387.524 3.804 20 30 GHEDRO CCCCCCCCCC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001252989190 1039316464 /nfs/dbraw/zinc/31/64/64/1039316464.db2.gz NDBDGPDSGBOUPP-NHCUHLMSSA-N 1 0 382.589 3.638 20 30 GHEDRO CCCC[C@@H](CC)COC[C@H](O)CNc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001252995450 1039323305 /nfs/dbraw/zinc/32/33/05/1039323305.db2.gz XLPWVXKBGWEAMM-HZPDHXFCSA-N 1 0 379.570 3.613 20 30 GHEDRO C=CCOCCCNC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001253134226 1039442872 /nfs/dbraw/zinc/44/28/72/1039442872.db2.gz OPIQANPTFSMRNS-UHFFFAOYSA-N 1 0 385.552 3.809 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001253234592 1039488065 /nfs/dbraw/zinc/48/80/65/1039488065.db2.gz CKJSGXUVSNJQPG-QFIPXVFZSA-N 1 0 399.579 3.784 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001253235828 1039489744 /nfs/dbraw/zinc/48/97/44/1039489744.db2.gz ORGONWXDAKQXJW-DHIUTWEWSA-N 1 0 387.568 3.640 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001253235831 1039489797 /nfs/dbraw/zinc/48/97/97/1039489797.db2.gz ORGONWXDAKQXJW-XZOQPEGZSA-N 1 0 387.568 3.640 20 30 GHEDRO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@]2(CCN(C)C2=O)C1 ZINC001253237016 1039492758 /nfs/dbraw/zinc/49/27/58/1039492758.db2.gz HNDFQXLGCJHWPS-ZDXQCDESSA-N 1 0 384.564 3.822 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001253239233 1039496391 /nfs/dbraw/zinc/49/63/91/1039496391.db2.gz WNLBOZWMOLLXDF-FUPPJEDESA-N 1 0 388.552 3.971 20 30 GHEDRO C=CCCCCCC[C@H](O)C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001253241382 1039498344 /nfs/dbraw/zinc/49/83/44/1039498344.db2.gz VRFLFDMVJNPQDY-KRWDZBQOSA-N 1 0 386.462 3.505 20 30 GHEDRO C=CCCCCCC[C@@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(OC)c1 ZINC001253246241 1039501445 /nfs/dbraw/zinc/50/14/45/1039501445.db2.gz LJHYIBNZHLXOMA-HXUWFJFHSA-N 1 0 375.557 3.746 20 30 GHEDRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3C#N)cc1 ZINC001253433664 1039634452 /nfs/dbraw/zinc/63/44/52/1039634452.db2.gz HHSMYMAAXPCBDQ-SIKLNZKXSA-N 1 0 392.499 3.651 20 30 GHEDRO C#CCN(CC1CC1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001253554350 1039701635 /nfs/dbraw/zinc/70/16/35/1039701635.db2.gz IOPJLYGTZZCWAB-UHFFFAOYSA-N 1 0 381.564 3.776 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC1(F)COC1 ZINC001253614615 1039723593 /nfs/dbraw/zinc/72/35/93/1039723593.db2.gz ROYGLHYFRYUZQR-HXUWFJFHSA-N 1 0 391.568 3.630 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCc1c[nH]cn1 ZINC001253614423 1039723724 /nfs/dbraw/zinc/72/37/24/1039723724.db2.gz OLVWXNNATXGARG-QFIPXVFZSA-N 1 0 397.604 3.857 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC(OC)OC ZINC001253615067 1039725701 /nfs/dbraw/zinc/72/57/01/1039725701.db2.gz ZVGWSWVNBCEUOM-HXUWFJFHSA-N 1 0 391.593 3.510 20 30 GHEDRO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCC1COC1 ZINC001253617810 1039731019 /nfs/dbraw/zinc/73/10/19/1039731019.db2.gz YHCHIXDXKJPPEC-JOCHJYFZSA-N 1 0 387.605 3.928 20 30 GHEDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)ccc1-n1ccnc1 ZINC001234076500 1039816249 /nfs/dbraw/zinc/81/62/49/1039816249.db2.gz YRGILOLHKJMWNP-NRFANRHFSA-N 1 0 388.471 3.796 20 30 GHEDRO C#CCN1CC[C@]2(CCC[N@@H+](Cc3sc(Br)cc3C)CC2)C1=O ZINC001277841119 1039934336 /nfs/dbraw/zinc/93/43/36/1039934336.db2.gz PZVQOBDLKDHPGP-GOSISDBHSA-N 1 0 395.366 3.657 20 30 GHEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001277841450 1039936797 /nfs/dbraw/zinc/93/67/97/1039936797.db2.gz UEHVRBKWNPMLHW-AEFFLSMTSA-N 1 0 376.463 3.503 20 30 GHEDRO CC(C)Oc1ccccc1OC[C@H](O)C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001253999852 1039943839 /nfs/dbraw/zinc/94/38/39/1039943839.db2.gz MKXWUCFKTYKPRJ-JOCHJYFZSA-N 1 0 394.515 3.965 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC001254063160 1039979380 /nfs/dbraw/zinc/97/93/80/1039979380.db2.gz MYCMUJSNCCILQD-JOCHJYFZSA-N 1 0 398.510 3.752 20 30 GHEDRO C#Cc1ccc(-c2c(-c3ccccc3)nnn2C[C@H]2C[C@]3(CO2)CCC[NH2+]C3)cc1 ZINC001254066061 1039980613 /nfs/dbraw/zinc/98/06/13/1039980613.db2.gz ACAHHHPYIFRJGS-RCZVLFRGSA-N 1 0 398.510 3.752 20 30 GHEDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)c(Br)c3)C2)C1=O ZINC001277867481 1040151206 /nfs/dbraw/zinc/15/12/06/1040151206.db2.gz DWNVXMPEVOGRTG-LJQANCHMSA-N 1 0 390.325 3.545 20 30 GHEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2cc(OCC3CC3)ncn2)CC1 ZINC001254351315 1040184783 /nfs/dbraw/zinc/18/47/83/1040184783.db2.gz VXQDZQOFOBLJCP-UHFFFAOYSA-N 1 0 380.467 3.898 20 30 GHEDRO COc1ccc2c(c1O[C@@H](C)C(C)C)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC001234818109 1040347703 /nfs/dbraw/zinc/34/77/03/1040347703.db2.gz SWEBCRDOWGCWLV-SXNPGTFUSA-N 1 0 399.531 3.736 20 30 GHEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC001254644936 1040416143 /nfs/dbraw/zinc/41/61/43/1040416143.db2.gz BTXAMHIZPXAULW-QFIPXVFZSA-N 1 0 377.488 3.999 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)(c2cccnc2)CC1 ZINC001254649617 1040418400 /nfs/dbraw/zinc/41/84/00/1040418400.db2.gz UTPIUAXDCOLTJD-HKUYNNGSSA-N 1 0 384.524 3.632 20 30 GHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3Br)CC2)C1 ZINC001254656584 1040423251 /nfs/dbraw/zinc/42/32/51/1040423251.db2.gz JZVNEAYPZLDLBV-KLHDSHLOSA-N 1 0 390.325 3.772 20 30 GHEDRO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677171 1040432593 /nfs/dbraw/zinc/43/25/93/1040432593.db2.gz QPADANQMBWTXBA-XLIONFOSSA-N 1 0 384.524 3.975 20 30 GHEDRO C[N@H+](Cc1cccc(C#N)c1)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254727606 1040484955 /nfs/dbraw/zinc/48/49/55/1040484955.db2.gz DANMHXDZRZUUKV-UHFFFAOYSA-N 1 0 399.535 3.939 20 30 GHEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001462470169 1070279191 /nfs/dbraw/zinc/27/91/91/1070279191.db2.gz IYBMUUDVOLKVCU-GCJKJVERSA-N 1 0 384.524 3.503 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235094254 1040583245 /nfs/dbraw/zinc/58/32/45/1040583245.db2.gz NRCQTSQRAXDYIJ-UHFFFAOYSA-N 1 0 396.332 3.958 20 30 GHEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2)CC1 ZINC001255162240 1040881503 /nfs/dbraw/zinc/88/15/03/1040881503.db2.gz KWHKRIQPLANHBK-ULQDDVLXSA-N 1 0 378.314 3.772 20 30 GHEDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc(C)c1OCCO ZINC001235377862 1040893485 /nfs/dbraw/zinc/89/34/85/1040893485.db2.gz ZKQPUCZHALYZOH-OAQYLSRUSA-N 1 0 380.488 3.590 20 30 GHEDRO COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC001462501616 1070305865 /nfs/dbraw/zinc/30/58/65/1070305865.db2.gz AHOVWOMRVQZILA-BKXMBWNOSA-N 1 0 375.516 3.945 20 30 GHEDRO CCOC(=O)C1CCC([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)CC1 ZINC001255263556 1040933032 /nfs/dbraw/zinc/93/30/32/1040933032.db2.gz HBUHAUVDYMNRSG-UHFFFAOYSA-N 1 0 386.492 3.532 20 30 GHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)c(F)c(OC)c1)CC2 ZINC001235434507 1040935392 /nfs/dbraw/zinc/93/53/92/1040935392.db2.gz RIQGQZRDHJBWGS-UHFFFAOYSA-N 1 0 394.462 3.974 20 30 GHEDRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccccc2CC#N)CC3)n1 ZINC001235513535 1040969742 /nfs/dbraw/zinc/96/97/42/1040969742.db2.gz JXJQRQUPLNLREX-UHFFFAOYSA-N 1 0 388.515 3.613 20 30 GHEDRO N#Cc1cn(Cc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)c2ccccc12 ZINC001255418918 1041013330 /nfs/dbraw/zinc/01/33/30/1041013330.db2.gz DJQJGMSWGPXANF-GOSISDBHSA-N 1 0 383.455 3.934 20 30 GHEDRO C=CC[NH2+]CCN1CCC2(C[C@H](CC(=O)N(CC)CC)c3ccccc32)CC1 ZINC001235614669 1041033484 /nfs/dbraw/zinc/03/34/84/1041033484.db2.gz FLDNPXZTEUOJIN-FQEVSTJZSA-N 1 0 383.580 3.542 20 30 GHEDRO C[C@H](Cc1ccccc1F)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001255852436 1041348317 /nfs/dbraw/zinc/34/83/17/1041348317.db2.gz CJUKOSLIZFDDBW-MRXNPFEDSA-N 1 0 380.467 3.914 20 30 GHEDRO C[C@H](Cc1ccccn1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001256413928 1041723422 /nfs/dbraw/zinc/72/34/22/1041723422.db2.gz CREBOGJOEIYCQA-YKSBVNFPSA-N 1 0 390.531 3.503 20 30 GHEDRO COC(=O)c1cccc(CN(Cc2cccc(Cl)c2C#N)C2CC[NH2+]CC2)c1 ZINC001236464726 1041726219 /nfs/dbraw/zinc/72/62/19/1041726219.db2.gz KORVJFOSWJBYEM-UHFFFAOYSA-N 1 0 397.906 3.752 20 30 GHEDRO COc1cc(C#N)ccc1CN(Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236500427 1041742007 /nfs/dbraw/zinc/74/20/07/1041742007.db2.gz VFVXVHYFTSRIKX-UHFFFAOYSA-N 1 0 389.421 3.738 20 30 GHEDRO N#Cc1cc(F)c(CN(Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c(F)c1 ZINC001236504620 1041744202 /nfs/dbraw/zinc/74/42/02/1041744202.db2.gz KLZPUYWJERFOSH-UHFFFAOYSA-N 1 0 377.385 3.869 20 30 GHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1OC(F)(F)F)CC2 ZINC001236723671 1041857185 /nfs/dbraw/zinc/85/71/85/1041857185.db2.gz JYMGGKCCYOWJHM-LJQANCHMSA-N 1 0 398.425 3.824 20 30 GHEDRO CN(CC[N@H+](C)Cc1ccc(C#N)c(Br)c1)C(=O)OC(C)(C)C ZINC001236854218 1041929829 /nfs/dbraw/zinc/92/98/29/1041929829.db2.gz HBEMOXCMUVUDKH-UHFFFAOYSA-N 1 0 382.302 3.619 20 30 GHEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(C#N)c(Br)c1 ZINC001236859173 1041931683 /nfs/dbraw/zinc/93/16/83/1041931683.db2.gz HXOLZTSQLRGRDZ-DOMZBBRYSA-N 1 0 394.313 3.808 20 30 GHEDRO C=CC[NH+](CC=C)CCN1CCN(Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237008482 1041988723 /nfs/dbraw/zinc/98/87/23/1041988723.db2.gz XKPRORUYEWOLBT-UHFFFAOYSA-N 1 0 394.538 3.679 20 30 GHEDRO N#Cc1cc(Br)ccc1CN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237364204 1042171787 /nfs/dbraw/zinc/17/17/87/1042171787.db2.gz RSNLVAMEAKPJBE-UHFFFAOYSA-N 1 0 382.305 3.915 20 30 GHEDRO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3NC(=O)C(C)(C)C)C2)C1=O ZINC001237391879 1042186571 /nfs/dbraw/zinc/18/65/71/1042186571.db2.gz DRRYXTXWVPSBIY-HSZRJFAPSA-N 1 0 383.536 3.672 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c2cc(C#N)ccc21 ZINC001237469839 1042221961 /nfs/dbraw/zinc/22/19/61/1042221961.db2.gz ZDJAWTHGWUAODX-KRWDZBQOSA-N 1 0 394.519 3.739 20 30 GHEDRO Cn1cc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c2cc(C#N)ccc21 ZINC001237469613 1042222122 /nfs/dbraw/zinc/22/21/22/1042222122.db2.gz WLDPZBXAHNIELX-QHCPKHFHSA-N 1 0 394.519 3.883 20 30 GHEDRO Cn1cc(C[NH+]2CCC(N3Cc4ccccc4C3=O)CC2)c2cc(C#N)ccc21 ZINC001237473200 1042224056 /nfs/dbraw/zinc/22/40/56/1042224056.db2.gz VEMPCQVHHJHAAI-UHFFFAOYSA-N 1 0 384.483 3.670 20 30 GHEDRO Cn1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c2cc(C#N)ccc21 ZINC001237473755 1042224610 /nfs/dbraw/zinc/22/46/10/1042224610.db2.gz UEFVWMKTNJUEJT-GOTSBHOMSA-N 1 0 386.499 3.674 20 30 GHEDRO Cn1cc(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)c2cc(C#N)ccc21 ZINC001237473749 1042224826 /nfs/dbraw/zinc/22/48/26/1042224826.db2.gz UADIINNDGJGOPA-UHFFFAOYSA-N 1 0 385.471 3.676 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)Nc1cccnc1N1CC[C@@H]([NH3+])C1 ZINC001237558970 1042262570 /nfs/dbraw/zinc/26/25/70/1042262570.db2.gz IIUPWCHLZFGWQP-QGZVFWFLSA-N 1 0 382.574 3.501 20 30 GHEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC001237748504 1042351967 /nfs/dbraw/zinc/35/19/67/1042351967.db2.gz JAWINXNUTBLDPD-FQEVSTJZSA-N 1 0 383.879 3.809 20 30 GHEDRO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001237749860 1042352767 /nfs/dbraw/zinc/35/27/67/1042352767.db2.gz BARSYFXPAXSCCP-HXUWFJFHSA-N 1 0 394.906 3.587 20 30 GHEDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]12 ZINC001238082882 1042485281 /nfs/dbraw/zinc/48/52/81/1042485281.db2.gz MWABIRBODABCNQ-GOTSBHOMSA-N 1 0 393.918 3.976 20 30 GHEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c(Cl)c1 ZINC001238082758 1042485363 /nfs/dbraw/zinc/48/53/63/1042485363.db2.gz NBAAZSDVSUMAQB-UHFFFAOYSA-N 1 0 381.911 3.884 20 30 GHEDRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccc(C#N)cc4Cl)C3)CC2=O)c1 ZINC001238084245 1042486586 /nfs/dbraw/zinc/48/65/86/1042486586.db2.gz NYGNQMKZPXKGGS-JOCHJYFZSA-N 1 0 390.874 3.712 20 30 GHEDRO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC001238175594 1042509806 /nfs/dbraw/zinc/50/98/06/1042509806.db2.gz TYTJFGZQKDPAFZ-UHFFFAOYSA-N 1 0 381.476 3.631 20 30 GHEDRO Cn1ncc2c1CN(Cc1ccc(Cl)c(C#N)c1)C[C@H]2COc1cccnc1 ZINC001238191631 1042515075 /nfs/dbraw/zinc/51/50/75/1042515075.db2.gz KUGBMDPQURZMGU-KRWDZBQOSA-N 1 0 393.878 3.519 20 30 GHEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001462630141 1070427808 /nfs/dbraw/zinc/42/78/08/1070427808.db2.gz PITDWDVKLLKORI-REWPJTCUSA-N 1 0 381.520 3.995 20 30 GHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(OC)c(O)c3F)C2)CC1 ZINC001238365819 1042571098 /nfs/dbraw/zinc/57/10/98/1042571098.db2.gz KFQMSDDTULDZMQ-UHFFFAOYSA-N 1 0 392.471 3.541 20 30 GHEDRO COc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)ccc1C#N ZINC001238407948 1042586988 /nfs/dbraw/zinc/58/69/88/1042586988.db2.gz VDEWGYYUEPAYJK-QHCPKHFHSA-N 1 0 375.472 3.504 20 30 GHEDRO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(OC)ncc1-c1ccccc1)CC2 ZINC001238599472 1042652912 /nfs/dbraw/zinc/65/29/12/1042652912.db2.gz OAYCEXHBGZGINT-UHFFFAOYSA-N 1 0 391.515 3.900 20 30 GHEDRO CCCCCCCCS(=O)(=O)NC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001238832861 1042740275 /nfs/dbraw/zinc/74/02/75/1042740275.db2.gz YTIVLNWUWFZKIB-UHFFFAOYSA-N 1 0 384.561 3.770 20 30 GHEDRO CCCCCCCCCCS(=O)(=O)N1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001239031476 1042760197 /nfs/dbraw/zinc/76/01/97/1042760197.db2.gz JDVCOOPXHBEPTE-KRWDZBQOSA-N 1 0 380.545 3.778 20 30 GHEDRO CCCCCCCCS(=O)(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001239071498 1042763640 /nfs/dbraw/zinc/76/36/40/1042763640.db2.gz TXFGULRGHUTZNH-RTWAWAEBSA-N 1 0 378.582 3.756 20 30 GHEDRO CC(C)(C)OC(=O)c1c2c(sc1NC(=O)Nc1ccc(C#N)cc1)C[NH2+]CC2 ZINC001239185808 1042782128 /nfs/dbraw/zinc/78/21/28/1042782128.db2.gz XVWJDANHDCVOCK-UHFFFAOYSA-N 1 0 398.488 3.865 20 30 GHEDRO N#Cc1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N1CC[NH2+]CC1 ZINC001239189744 1042782868 /nfs/dbraw/zinc/78/28/68/1042782868.db2.gz FNBTULAPAKJVAG-UHFFFAOYSA-N 1 0 389.381 3.631 20 30 GHEDRO N#Cc1ccc(NC(=O)NCC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)cc1 ZINC001239247858 1042796499 /nfs/dbraw/zinc/79/64/99/1042796499.db2.gz PBHPDKLLAVRCBJ-UHFFFAOYSA-N 1 0 382.895 3.946 20 30 GHEDRO [NH3+][C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(F)(F)C1 ZINC001239265059 1042799186 /nfs/dbraw/zinc/79/91/86/1042799186.db2.gz SQKCKGNDOKRZAD-VIFPVBQESA-N 1 0 391.262 3.924 20 30 GHEDRO CCCCCCCCCCCCNC(=O)N1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001239278755 1042800823 /nfs/dbraw/zinc/80/08/23/1042800823.db2.gz HVVOJOUJRLLSGF-QFIPXVFZSA-N 1 0 394.604 3.561 20 30 GHEDRO C=CCOC(=O)[C@H](CCCC[NH3+])NC(=S)Nc1ccc(CCCC)cc1C ZINC001239379080 1042817038 /nfs/dbraw/zinc/81/70/38/1042817038.db2.gz ICWYXSIQXIECDT-IBGZPJMESA-N 1 0 391.581 3.851 20 30 GHEDRO N#CC1(c2cccnc2-c2ccc(N)nc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001239813895 1042851931 /nfs/dbraw/zinc/85/19/31/1042851931.db2.gz HAXLDKYRIKOQME-UHFFFAOYSA-N 1 0 387.462 3.922 20 30 GHEDRO CCCCNC(=O)c1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239988657 1042869128 /nfs/dbraw/zinc/86/91/28/1042869128.db2.gz XVGJWVPFTYWTNC-UHFFFAOYSA-N 1 0 377.488 3.886 20 30 GHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240050746 1042876707 /nfs/dbraw/zinc/87/67/07/1042876707.db2.gz HVZFZROZMHCNTR-GOSISDBHSA-N 1 0 378.476 3.688 20 30 GHEDRO COC(=O)c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)nc1-c1ccc(F)cc1 ZINC001240338144 1042922493 /nfs/dbraw/zinc/92/24/93/1042922493.db2.gz MFIUPXDWOACKNE-UHFFFAOYSA-N 1 0 387.414 3.900 20 30 GHEDRO COC(=O)c1cc(OC(F)(F)F)cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240356464 1042923165 /nfs/dbraw/zinc/92/31/65/1042923165.db2.gz UFBIVTNUJTXJQZ-UHFFFAOYSA-N 1 0 376.334 3.597 20 30 GHEDRO C[C@@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291110199 1043083749 /nfs/dbraw/zinc/08/37/49/1043083749.db2.gz ZIWTUGCXCHJWGI-KGVIQGDOSA-N 1 0 386.588 3.826 20 30 GHEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C)CC1 ZINC001291114189 1043086569 /nfs/dbraw/zinc/08/65/69/1043086569.db2.gz UYTJGUYNLARNSP-SFHVURJKSA-N 1 0 380.540 3.783 20 30 GHEDRO C[C@@H]1CCC[N@H+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCCC2(C)C)C1 ZINC001291127360 1043095265 /nfs/dbraw/zinc/09/52/65/1043095265.db2.gz DUWRWIUYTJMENG-GOSISDBHSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCC1 ZINC001291442091 1043259079 /nfs/dbraw/zinc/25/90/79/1043259079.db2.gz XWDJWJQJMSKBAS-KRWDZBQOSA-N 1 0 380.540 3.784 20 30 GHEDRO CC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001291702975 1043404091 /nfs/dbraw/zinc/40/40/91/1043404091.db2.gz BZHYNTXSUJMUFA-PKOBYXMFSA-N 1 0 380.540 3.641 20 30 GHEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001256518494 1043443124 /nfs/dbraw/zinc/44/31/24/1043443124.db2.gz SHYGQKKSXHKVDY-MOPGFXCFSA-N 1 0 388.508 3.616 20 30 GHEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256521614 1043445004 /nfs/dbraw/zinc/44/50/04/1043445004.db2.gz ARGOIONPGFWCST-WWPVKYPJSA-N 1 0 391.559 3.534 20 30 GHEDRO C=CCN1CC[C@]2(CCCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)C1=O ZINC001256545630 1043503694 /nfs/dbraw/zinc/50/36/94/1043503694.db2.gz UBQMNSWQFGSPEN-BKULYWANSA-N 1 0 381.564 3.540 20 30 GHEDRO CC[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001292195971 1043622335 /nfs/dbraw/zinc/62/23/35/1043622335.db2.gz RCLOJWHBQKBUMC-OAQYLSRUSA-N 1 0 392.551 3.950 20 30 GHEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H](C)Cc3ccccc3Br)C2)C1=O ZINC001256840783 1043691512 /nfs/dbraw/zinc/69/15/12/1043691512.db2.gz OCPRKGZCVWNLER-UZLBHIALSA-N 1 0 391.353 3.881 20 30 GHEDRO N#CC1CCC([NH2+]C2(Cc3ccccc3Cl)CCS(=O)(=O)CC2)CC1 ZINC001256960245 1043774654 /nfs/dbraw/zinc/77/46/54/1043774654.db2.gz OASREDUPGAGMOE-UHFFFAOYSA-N 1 0 380.941 3.502 20 30 GHEDRO N#CC1CCC([NH+]2CCC(c3nc4ccc(Br)cn4n3)CC2)CC1 ZINC001256964166 1043775416 /nfs/dbraw/zinc/77/54/16/1043775416.db2.gz RZIBWYFMMVEAJB-UHFFFAOYSA-N 1 0 388.313 3.754 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ccncc2)C2CCC(C#N)CC2)C1 ZINC001256971037 1043777892 /nfs/dbraw/zinc/77/78/92/1043777892.db2.gz BETSOTVZXNAGGD-UUKMXZOPSA-N 1 0 384.524 3.975 20 30 GHEDRO COCCN1CC[C@]2(CCC[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C2)C1=O ZINC001257018075 1043802702 /nfs/dbraw/zinc/80/27/02/1043802702.db2.gz GURPBBYEYKHEKH-IWAAJCSBSA-N 1 0 395.547 3.545 20 30 GHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001257062100 1043825931 /nfs/dbraw/zinc/82/59/31/1043825931.db2.gz AZICYZHOARTXHV-GDBMZVCRSA-N 1 0 376.884 3.787 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC001293046375 1043999375 /nfs/dbraw/zinc/99/93/75/1043999375.db2.gz QNEUERAJGIJWQE-OAQYLSRUSA-N 1 0 377.488 3.720 20 30 GHEDRO C[C@H]1CC([NH+]2CCN(c3cccc(C#N)c3)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257591131 1044075667 /nfs/dbraw/zinc/07/56/67/1044075667.db2.gz BULLXRURPBJMPQ-ROUUACIJSA-N 1 0 398.551 3.857 20 30 GHEDRO CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001293428089 1044173129 /nfs/dbraw/zinc/17/31/29/1044173129.db2.gz XYSPVEPOFDCUCB-UYAOXDASSA-N 1 0 378.524 3.537 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)CCCN(C(=O)c3cnccn3)C4)C[C@H](C1)C2 ZINC001257891058 1044245854 /nfs/dbraw/zinc/24/58/54/1044245854.db2.gz DPQPXZPWORRKRK-SRDOODBNSA-N 1 0 380.536 3.540 20 30 GHEDRO C=C1C[C@@H]2CC(N3CC[N@@H+]4C[C@H](OCc5cccc(C)n5)C[C@@H]4C3)C[C@H](C1)C2 ZINC001257890958 1044246182 /nfs/dbraw/zinc/24/61/82/1044246182.db2.gz CMPMTOCBWBDJLV-HOKBHHBGSA-N 1 0 381.564 3.800 20 30 GHEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)C[C@H](C1)C2 ZINC001257891812 1044247707 /nfs/dbraw/zinc/24/77/07/1044247707.db2.gz QVLYANZKSVIFOG-SFNVHBSZSA-N 1 0 381.520 3.636 20 30 GHEDRO N#Cc1ccccc1CN1CCC([NH2+][C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257953829 1044269909 /nfs/dbraw/zinc/26/99/09/1044269909.db2.gz SSODJZBEMTWNNJ-NRFANRHFSA-N 1 0 381.907 3.769 20 30 GHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)CCCC(=O)OCC)C[C@@H]2c2ccccc2)C1=O ZINC001258120659 1044407139 /nfs/dbraw/zinc/40/71/39/1044407139.db2.gz GCPUSWPIASJJFO-LEEZEASISA-N 1 0 398.547 3.612 20 30 GHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142247 1044429223 /nfs/dbraw/zinc/42/92/23/1044429223.db2.gz DMGDYHMZXSDUPY-LOSJGSFVSA-N 1 0 398.591 3.767 20 30 GHEDRO C[C@H](Cc1ccco1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001258191297 1044464530 /nfs/dbraw/zinc/46/45/30/1044464530.db2.gz DZTSNGYGKZKPIP-XXBNENTESA-N 1 0 379.504 3.701 20 30 GHEDRO COc1ccc(Cn2nc(C(=[NH2+])N[C@@H](C)CCSC)c3ccccc32)cc1 ZINC001258211573 1044472554 /nfs/dbraw/zinc/47/25/54/1044472554.db2.gz KHFHFIXEUPPAHF-HNNXBMFYSA-N 1 0 382.533 3.940 20 30 GHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001294543506 1044692956 /nfs/dbraw/zinc/69/29/56/1044692956.db2.gz XVDRAMGRFVEJPH-IAGOWNOFSA-N 1 0 386.499 3.926 20 30 GHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@H](C)C#N ZINC001294709461 1044772896 /nfs/dbraw/zinc/77/28/96/1044772896.db2.gz MHNCIZDUKOTJOE-UYAOXDASSA-N 1 0 386.588 3.871 20 30 GHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001295367050 1044990310 /nfs/dbraw/zinc/99/03/10/1044990310.db2.gz SDIAGHGIHBUPFT-UXPWSPDFSA-N 1 0 378.524 3.536 20 30 GHEDRO CC[NH+]1CCC(CCn2c(CC(C)C)nnc2N2CCC(CC#N)CC2)CC1 ZINC001296024749 1045224096 /nfs/dbraw/zinc/22/40/96/1045224096.db2.gz HUZAWVIASXZXJG-UHFFFAOYSA-N 1 0 386.588 3.729 20 30 GHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCCCC2)C1 ZINC001296038515 1045229266 /nfs/dbraw/zinc/22/92/66/1045229266.db2.gz PJCZTSCPHXLYOZ-LJQANCHMSA-N 1 0 392.551 3.927 20 30 GHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001296040450 1045230705 /nfs/dbraw/zinc/23/07/05/1045230705.db2.gz VMIYCKBGQIPYPT-CVEARBPZSA-N 1 0 386.931 3.536 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCC1 ZINC001296089334 1045250837 /nfs/dbraw/zinc/25/08/37/1045250837.db2.gz OFTSLRYURNJASB-OAQYLSRUSA-N 1 0 392.551 3.927 20 30 GHEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001296275441 1045293190 /nfs/dbraw/zinc/29/31/90/1045293190.db2.gz WNRVNWWKCHPTNX-ROUUACIJSA-N 1 0 381.561 3.617 20 30 GHEDRO CC[NH+]1CCC(C(=O)NCc2ccc(C#N)c(Cl)c2)(c2ccccc2)CC1 ZINC001296963310 1045409278 /nfs/dbraw/zinc/40/92/78/1045409278.db2.gz GEDLWYOEJYDCIW-UHFFFAOYSA-N 1 0 381.907 3.882 20 30 GHEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC001462910570 1070653687 /nfs/dbraw/zinc/65/36/87/1070653687.db2.gz HZCUJRUSONGZIK-WIYYLYMNSA-N 1 0 384.545 3.919 20 30 GHEDRO CCc1ccc([C@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)[NH+](CC)CC)cc1 ZINC001298680893 1045917235 /nfs/dbraw/zinc/91/72/35/1045917235.db2.gz DKMOLFCXAPDHAV-NRFANRHFSA-N 1 0 392.499 3.529 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001300800295 1046167957 /nfs/dbraw/zinc/16/79/57/1046167957.db2.gz PEKCYSOPNRZFOA-WMZHIEFXSA-N 1 0 394.567 3.920 20 30 GHEDRO C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CC(C)(C)C[NH+](C)C ZINC001300917891 1046240265 /nfs/dbraw/zinc/24/02/65/1046240265.db2.gz OHVDMJJPTOZLOH-UHFFFAOYSA-N 1 0 387.547 3.998 20 30 GHEDRO C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001301030456 1046296643 /nfs/dbraw/zinc/29/66/43/1046296643.db2.gz LPQSBRBUHZEDAT-HUUCEWRRSA-N 1 0 377.895 3.756 20 30 GHEDRO C=C1CCN(c2nnc(C3CCC3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001301080281 1046325404 /nfs/dbraw/zinc/32/54/04/1046325404.db2.gz REXUIKYGVAPQFD-UHFFFAOYSA-N 1 0 395.551 3.691 20 30 GHEDRO C=C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301096976 1046338094 /nfs/dbraw/zinc/33/80/94/1046338094.db2.gz LHDYAPMZJNMBLB-WOJBJXKFSA-N 1 0 387.572 3.654 20 30 GHEDRO C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301177416 1046389446 /nfs/dbraw/zinc/38/94/46/1046389446.db2.gz ZMJXCYAXYDSLOV-RXVVDRJESA-N 1 0 390.535 3.846 20 30 GHEDRO C=CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001262975801 1046461389 /nfs/dbraw/zinc/46/13/89/1046461389.db2.gz PMOVAAAPRIZXAI-UHFFFAOYSA-N 1 0 392.551 3.754 20 30 GHEDRO C=CCN(C)c1nnc(Cc2ccncc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301302443 1046463448 /nfs/dbraw/zinc/46/34/48/1046463448.db2.gz DBSHVFBEVWSRQJ-KDURUIRLSA-N 1 0 396.583 3.643 20 30 GHEDRO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)[NH+]1CCCC1 ZINC001301311008 1046473360 /nfs/dbraw/zinc/47/33/60/1046473360.db2.gz XBZKEZUAJCQCLY-IPMKNSEASA-N 1 0 389.588 3.693 20 30 GHEDRO C=CCn1c(-c2ccc3[nH]cnc3c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001262988830 1046474512 /nfs/dbraw/zinc/47/45/12/1046474512.db2.gz ASBKSZRNKJNBRA-UHFFFAOYSA-N 1 0 393.539 3.564 20 30 GHEDRO C=CCN(c1nnc([C@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC001301326497 1046489837 /nfs/dbraw/zinc/48/98/37/1046489837.db2.gz AXFSNYCAIRWODP-PZJWPPBQSA-N 1 0 395.551 3.548 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1)C(C)C ZINC001301366761 1046512551 /nfs/dbraw/zinc/51/25/51/1046512551.db2.gz IICVBZOOMBYIEL-CEXWTWQISA-N 1 0 377.552 3.894 20 30 GHEDRO C=CCN(CC=C)c1nnc(C(C)C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001301371866 1046513042 /nfs/dbraw/zinc/51/30/42/1046513042.db2.gz UOABIUHRIOUYHU-UHFFFAOYSA-N 1 0 387.572 3.615 20 30 GHEDRO C=CCN(CCOC)c1nnc(C(C)C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001301417007 1046533956 /nfs/dbraw/zinc/53/39/56/1046533956.db2.gz LTYNJCRARXKFDT-RXVVDRJESA-N 1 0 377.577 3.551 20 30 GHEDRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cccc(C#CCO)c1 ZINC001301494790 1046566437 /nfs/dbraw/zinc/56/64/37/1046566437.db2.gz WYYDMSCPMNDXQQ-UHFFFAOYSA-N 1 0 390.527 3.546 20 30 GHEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301539783 1046588095 /nfs/dbraw/zinc/58/80/95/1046588095.db2.gz WQTFWHVMRCXUJN-AQNXPRMDSA-N 1 0 389.588 3.693 20 30 GHEDRO C=C(C)Cn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001263301626 1046698977 /nfs/dbraw/zinc/69/89/77/1046698977.db2.gz UTDZNMVHYOFFBC-CVDCTZTESA-N 1 0 395.551 3.664 20 30 GHEDRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)[C@H](C#N)c2nccn2C)c1 ZINC001263332585 1046718198 /nfs/dbraw/zinc/71/81/98/1046718198.db2.gz SLEYLRIKBYFFOK-RJGXRXQPSA-N 1 0 398.510 3.821 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001301964452 1046765754 /nfs/dbraw/zinc/76/57/54/1046765754.db2.gz AFXDQTWSYOGUCM-GUDVDZBRSA-N 1 0 386.588 3.900 20 30 GHEDRO C[C@@H](CCC#N)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1cccs1 ZINC001263498495 1046908176 /nfs/dbraw/zinc/90/81/76/1046908176.db2.gz HIPBQKWLCQQBKI-ROUUACIJSA-N 1 0 398.580 3.860 20 30 GHEDRO N#CC1(COC(=O)c2cccc3c2CCOC3)CC[NH+](Cc2ccccc2)CC1 ZINC001263537687 1046930208 /nfs/dbraw/zinc/93/02/08/1046930208.db2.gz WHJMUXXYSMETJE-UHFFFAOYSA-N 1 0 390.483 3.722 20 30 GHEDRO CC(C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001302563060 1046978994 /nfs/dbraw/zinc/97/89/94/1046978994.db2.gz QMCPUWVNZAYFEV-UYAOXDASSA-N 1 0 380.540 3.977 20 30 GHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001302794980 1047109344 /nfs/dbraw/zinc/10/93/44/1047109344.db2.gz LPKKIIBGEIUAJP-QFIPXVFZSA-N 1 0 377.513 3.819 20 30 GHEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)C)[NH+](C)C ZINC001302808215 1047117024 /nfs/dbraw/zinc/11/70/24/1047117024.db2.gz NMPUMEJSSVGDDA-HXUWFJFHSA-N 1 0 382.556 3.885 20 30 GHEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001303263529 1047329014 /nfs/dbraw/zinc/32/90/14/1047329014.db2.gz PEENXBMGDCVJLQ-TZIWHRDSSA-N 1 0 392.551 3.926 20 30 GHEDRO CC(C)[NH+](CCn1c(CC2CC2)nnc1N(C)Cc1ccc(C#N)cc1)C(C)C ZINC001303297275 1047346530 /nfs/dbraw/zinc/34/65/30/1047346530.db2.gz QBJNOFAWAJGCEU-UHFFFAOYSA-N 1 0 394.567 3.857 20 30 GHEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC(C#N)CC2)C1 ZINC001303305819 1047352149 /nfs/dbraw/zinc/35/21/49/1047352149.db2.gz VNBRGAQZHOBHHD-NRFANRHFSA-N 1 0 398.599 3.871 20 30 GHEDRO C=CC(C)(C)CCCNC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001303334524 1047363171 /nfs/dbraw/zinc/36/31/71/1047363171.db2.gz HBSIJIOPVYCPIZ-UHFFFAOYSA-N 1 0 377.960 3.961 20 30 GHEDRO CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303582178 1047439357 /nfs/dbraw/zinc/43/93/57/1047439357.db2.gz KTKLEEXTLDXFBE-VQTJNVASSA-N 1 0 392.551 3.954 20 30 GHEDRO C[C@H](CC#N)N(C)c1nnc(C2CCCC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001303637092 1047461295 /nfs/dbraw/zinc/46/12/95/1047461295.db2.gz UCUFLQVFEQCEQM-QGZVFWFLSA-N 1 0 398.530 3.945 20 30 GHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc2c1ccc(F)c2F ZINC001264988486 1047534872 /nfs/dbraw/zinc/53/48/72/1047534872.db2.gz NVZBJHAFMNQZAP-UHFFFAOYSA-N 1 0 397.425 3.716 20 30 GHEDRO Cn1cc(C[NH2+][C@@]23CC[C@@](NCc4csc(Cl)n4)(C2)CCC3)cc1C#N ZINC001279175949 1047736710 /nfs/dbraw/zinc/73/67/10/1047736710.db2.gz CHNGESAALHBILM-RBUKOAKNSA-N 1 0 389.956 3.731 20 30 GHEDRO C[NH+]1CCC2(CC1)CN(Cc1sc(N)c(C#N)c1Cl)Cc1ccccc12 ZINC001279370373 1047783676 /nfs/dbraw/zinc/78/36/76/1047783676.db2.gz NSUUYQJYOFZGDE-UHFFFAOYSA-N 1 0 386.952 3.835 20 30 GHEDRO N#Cc1c(N)sc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)c1Cl ZINC001279370197 1047783750 /nfs/dbraw/zinc/78/37/50/1047783750.db2.gz JPSAQIKYDSTCRZ-PHIMTYICSA-N 1 0 392.878 3.846 20 30 GHEDRO C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC001305051985 1047859844 /nfs/dbraw/zinc/85/98/44/1047859844.db2.gz RWBUWRCIAIPGNX-GUDVDZBRSA-N 1 0 392.551 3.783 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104249 1047904819 /nfs/dbraw/zinc/90/48/19/1047904819.db2.gz CXVLVMBELRNWLP-IBGZPJMESA-N 1 0 380.540 3.805 20 30 GHEDRO CCCCCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NCC1COC1 ZINC001279869217 1047973896 /nfs/dbraw/zinc/97/38/96/1047973896.db2.gz BWSFTFABKMUXBE-LJQANCHMSA-N 1 0 382.614 3.697 20 30 GHEDRO CCCCCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1nnco1 ZINC001279872406 1047975473 /nfs/dbraw/zinc/97/54/73/1047975473.db2.gz TVVFUCMNHUXMFK-INIZCTEOSA-N 1 0 380.558 3.956 20 30 GHEDRO C=CCCNC(=S)N1CCC[C@]2(C1)C[N@H+](C[C@@H](CC)CCCC)CCO2 ZINC001279936177 1047993637 /nfs/dbraw/zinc/99/36/37/1047993637.db2.gz FWYFRSMDNAVKNG-PZJWPPBQSA-N 1 0 381.630 3.820 20 30 GHEDRO C=CCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2ncc(C)cc2Br)C1 ZINC001280128824 1048095549 /nfs/dbraw/zinc/09/55/49/1048095549.db2.gz MXXTXKITLUYQLF-RDTXWAMCSA-N 1 0 378.314 3.769 20 30 GHEDRO CCCCCCC/C=C/C[NH+]1CC2(C1)SCC[C@@H]2C(=O)N(C)CCOC ZINC001280215591 1048129341 /nfs/dbraw/zinc/12/93/41/1048129341.db2.gz SVTZRZGPBYRBAX-GNISGLHKSA-N 1 0 382.614 3.815 20 30 GHEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@]2(CCCN(S(=O)(=O)[C@@H](C)C#N)C2)C1 ZINC001280299178 1048169139 /nfs/dbraw/zinc/16/91/39/1048169139.db2.gz FUWHOJOMNVUQFV-UFYCRDLUSA-N 1 0 383.602 3.623 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)(C)C)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001286272619 1048245748 /nfs/dbraw/zinc/24/57/48/1048245748.db2.gz DATBNIMOWOCSDX-ICSRJNTNSA-N 1 0 379.552 3.871 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001286275065 1048246967 /nfs/dbraw/zinc/24/69/67/1048246967.db2.gz QLSRFKZDSUVADY-SFHVURJKSA-N 1 0 389.613 3.611 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+](CC)CCC ZINC001286280311 1048250811 /nfs/dbraw/zinc/25/08/11/1048250811.db2.gz XAJKCFRRDVNUQR-KRWDZBQOSA-N 1 0 379.508 3.881 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286283668 1048253391 /nfs/dbraw/zinc/25/33/91/1048253391.db2.gz WQHCRUIAJHTGQM-SFHVURJKSA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001286283674 1048253651 /nfs/dbraw/zinc/25/36/51/1048253651.db2.gz YRBRZAZLIRYYRB-WMZOPIPTSA-N 1 0 393.491 3.735 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001286302934 1048264317 /nfs/dbraw/zinc/26/43/17/1048264317.db2.gz HISXYORJTLQGQB-UXHICEINSA-N 1 0 385.600 3.981 20 30 GHEDRO C#CCCCCn1c(C(C)C)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001286315171 1048269296 /nfs/dbraw/zinc/26/92/96/1048269296.db2.gz UWXBTYOPCHFGRF-NRFANRHFSA-N 1 0 379.552 3.916 20 30 GHEDRO C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286317522 1048270214 /nfs/dbraw/zinc/27/02/14/1048270214.db2.gz GUPBHZWALHQANQ-UHFFFAOYSA-N 1 0 395.551 3.678 20 30 GHEDRO C#CCN(C)c1nnc([C@@H](C)CC)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001286362630 1048289741 /nfs/dbraw/zinc/28/97/41/1048289741.db2.gz ZZWCIVVOEIONHX-SFHVURJKSA-N 1 0 389.613 3.613 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286368973 1048293551 /nfs/dbraw/zinc/29/35/51/1048293551.db2.gz XGGNKULNFVZFIQ-SFHVURJKSA-N 1 0 391.563 3.796 20 30 GHEDRO C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)[NH+](CC)CC ZINC001286437514 1048320634 /nfs/dbraw/zinc/32/06/34/1048320634.db2.gz IBVZHBYEPRJPDT-QGZVFWFLSA-N 1 0 379.508 3.881 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001286458377 1048333648 /nfs/dbraw/zinc/33/36/48/1048333648.db2.gz RYBXEVRICINGDK-IBGZPJMESA-N 1 0 397.542 3.740 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CC[N@H+]1CCCC[C@H]1CC ZINC001286519837 1048345937 /nfs/dbraw/zinc/34/59/37/1048345937.db2.gz MNSUBWGRFBPWLX-AUSIDOKSSA-N 1 0 394.567 3.540 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001286524045 1048348913 /nfs/dbraw/zinc/34/89/13/1048348913.db2.gz CWWGCDFUXQFNBQ-DYESRHJHSA-N 1 0 383.565 3.587 20 30 GHEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H](C)[NH+](CC)CC ZINC001286525720 1048351588 /nfs/dbraw/zinc/35/15/88/1048351588.db2.gz ZJKKIJRKMIKRIL-HYBUGGRVSA-N 1 0 393.579 3.900 20 30 GHEDRO C=C(Br)Cn1c(C2CC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286538288 1048356245 /nfs/dbraw/zinc/35/62/45/1048356245.db2.gz LPCOQACOICRPCS-UHFFFAOYSA-N 1 0 396.377 3.622 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286643961 1048409576 /nfs/dbraw/zinc/40/95/76/1048409576.db2.gz CDGKUFNNAMWVHK-OALUTQOASA-N 1 0 380.540 3.617 20 30 GHEDRO C=C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001286644446 1048409697 /nfs/dbraw/zinc/40/96/97/1048409697.db2.gz WSWQFEVUYWWIGI-HXUWFJFHSA-N 1 0 380.540 3.761 20 30 GHEDRO C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001286775663 1048521859 /nfs/dbraw/zinc/52/18/59/1048521859.db2.gz SRZJZMOOBMPHRP-FPOVZHCZSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001286775664 1048521919 /nfs/dbraw/zinc/52/19/19/1048521919.db2.gz SRZJZMOOBMPHRP-PZJWPPBQSA-N 1 0 394.567 3.541 20 30 GHEDRO C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001286799067 1048527195 /nfs/dbraw/zinc/52/71/95/1048527195.db2.gz PHYWHXMUQTVYTG-FQEVSTJZSA-N 1 0 395.551 3.518 20 30 GHEDRO C=CCSCCn1c(CC2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286835036 1048541056 /nfs/dbraw/zinc/54/10/56/1048541056.db2.gz PNZKIITXOAMSBU-UHFFFAOYSA-N 1 0 391.629 3.851 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286968207 1048559628 /nfs/dbraw/zinc/55/96/28/1048559628.db2.gz PGCZCCLVQQULQO-CEXWTWQISA-N 1 0 388.604 3.831 20 30 GHEDRO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001286967654 1048560153 /nfs/dbraw/zinc/56/01/53/1048560153.db2.gz IUYNPVHIYDALCX-MSOLQXFVSA-N 1 0 398.555 3.893 20 30 GHEDRO CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001287103838 1048598121 /nfs/dbraw/zinc/59/81/21/1048598121.db2.gz WWZDRPICQCWPDJ-NQIIRXRSSA-N 1 0 390.535 3.846 20 30 GHEDRO N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)cn2)c1 ZINC001306509937 1048711624 /nfs/dbraw/zinc/71/16/24/1048711624.db2.gz ROKNZLIFDLONAQ-KRWDZBQOSA-N 1 0 385.427 3.606 20 30 GHEDRO CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001287406337 1048761597 /nfs/dbraw/zinc/76/15/97/1048761597.db2.gz FVHANAFANOHHTD-UHFFFAOYSA-N 1 0 394.567 3.739 20 30 GHEDRO Cc1cc(F)ccc1N(CC#N)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC001287551665 1048815822 /nfs/dbraw/zinc/81/58/22/1048815822.db2.gz WGOYWQNDQIQRCZ-UHFFFAOYSA-N 1 0 394.494 3.835 20 30 GHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)C[C@H](C)C#N ZINC001306723030 1048851885 /nfs/dbraw/zinc/85/18/85/1048851885.db2.gz NFYTWXFVNUGXOB-RTBURBONSA-N 1 0 395.555 3.591 20 30 GHEDRO C[NH+](C)[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)c1ccc(F)cc1 ZINC001306936677 1048968050 /nfs/dbraw/zinc/96/80/50/1048968050.db2.gz RZJMZAUVDHFZCW-IBGZPJMESA-N 1 0 377.423 3.994 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CCC[NH+]1CCCC1 ZINC001288507503 1049117192 /nfs/dbraw/zinc/11/71/92/1049117192.db2.gz NLEXSQCBYVFTFA-INIZCTEOSA-N 1 0 386.931 3.823 20 30 GHEDRO C#CC[NH+]1CCC(C(=O)N2c3ccc(Br)cc3CCC2(C)C)CC1 ZINC001288527711 1049128462 /nfs/dbraw/zinc/12/84/62/1049128462.db2.gz ZWDDLMPFQZVULB-UHFFFAOYSA-N 1 0 389.337 3.852 20 30 GHEDRO CC(C)(Cn1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCCC1 ZINC001288986448 1049276288 /nfs/dbraw/zinc/27/62/88/1049276288.db2.gz UQEFZNNUSUESFX-UHFFFAOYSA-N 1 0 384.572 3.940 20 30 GHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000752855209 1049301915 /nfs/dbraw/zinc/30/19/15/1049301915.db2.gz KPRYINVDWMWGHK-FQEVSTJZSA-N 1 0 394.906 3.917 20 30 GHEDRO C#CCN(C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C1CC[NH+](C)CC1 ZINC001289196161 1049363339 /nfs/dbraw/zinc/36/33/39/1049363339.db2.gz YUYJVRMIHIMUNC-UHFFFAOYSA-N 1 0 384.426 3.927 20 30 GHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC001307625651 1049459512 /nfs/dbraw/zinc/45/95/12/1049459512.db2.gz DGVWTKBHNCDELF-JOCHJYFZSA-N 1 0 381.495 3.771 20 30 GHEDRO CC(C)c1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC001307651916 1049479166 /nfs/dbraw/zinc/47/91/66/1049479166.db2.gz WCEHZGROQOCLPG-DHIUTWEWSA-N 1 0 396.579 3.639 20 30 GHEDRO Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)[NH+](C)C)s1 ZINC001289637852 1049570212 /nfs/dbraw/zinc/57/02/12/1049570212.db2.gz YXFJQQRUBTYJEO-OAHLLOKOSA-N 1 0 394.548 3.773 20 30 GHEDRO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307902088 1049680017 /nfs/dbraw/zinc/68/00/17/1049680017.db2.gz QIYLMGKJNUMIJQ-WOJBJXKFSA-N 1 0 397.519 3.640 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290144584 1049744198 /nfs/dbraw/zinc/74/41/98/1049744198.db2.gz BOKJHQUKOUJMGS-TZIWHRDSSA-N 1 0 396.583 3.892 20 30 GHEDRO Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290144582 1049744479 /nfs/dbraw/zinc/74/44/79/1049744479.db2.gz BOKJHQUKOUJMGS-FPOVZHCZSA-N 1 0 396.583 3.892 20 30 GHEDRO COc1cc2c(cc1OC)[C@H](C)[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC001308051892 1049799503 /nfs/dbraw/zinc/79/95/03/1049799503.db2.gz ZHFQTPMNGZUVMW-HNNXBMFYSA-N 1 0 379.460 3.523 20 30 GHEDRO C=CCOc1cccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1 ZINC001308210336 1049913665 /nfs/dbraw/zinc/91/36/65/1049913665.db2.gz KASXSYBAGVBMGF-UHFFFAOYSA-N 1 0 379.504 3.561 20 30 GHEDRO C=CCOc1cccc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC001308226913 1049919802 /nfs/dbraw/zinc/91/98/02/1049919802.db2.gz YCOGGNXKXAUXQM-QGZVFWFLSA-N 1 0 381.394 3.800 20 30 GHEDRO C[C@H]1C[C@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001290998947 1049966986 /nfs/dbraw/zinc/96/69/86/1049966986.db2.gz IHRIJXWXSDHNDX-ROUUACIJSA-N 1 0 394.567 3.887 20 30 GHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC001308405018 1049968385 /nfs/dbraw/zinc/96/83/85/1049968385.db2.gz KZHYSXYMOFUIRC-WFASDCNBSA-N 1 0 384.261 3.564 20 30 GHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)ccc1OC ZINC001308415756 1049970874 /nfs/dbraw/zinc/97/08/74/1049970874.db2.gz DBJXUQYHNPUQIT-QGZVFWFLSA-N 1 0 384.451 3.684 20 30 GHEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001308521199 1049997973 /nfs/dbraw/zinc/99/79/73/1049997973.db2.gz PKNRNXPQUJTTNL-ZDUSSCGKSA-N 1 0 391.231 3.535 20 30 GHEDRO COc1cc(C)cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1O ZINC001308731979 1050074925 /nfs/dbraw/zinc/07/49/25/1050074925.db2.gz MDUREQHWUMJHFQ-IBGZPJMESA-N 1 0 385.895 3.745 20 30 GHEDRO CCOC(=O)[C@]12CCC[C@@H]1C[C@@H]([NH2+]C1CCN(c3ccccc3C#N)CC1)C2 ZINC001308892479 1050143181 /nfs/dbraw/zinc/14/31/81/1050143181.db2.gz ZZVRGYZUNYKENW-XQFWAAQXSA-N 1 0 381.520 3.629 20 30 GHEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308957786 1050218044 /nfs/dbraw/zinc/21/80/44/1050218044.db2.gz GHXGJZDBGPKQEI-LBPRGKRZSA-N 1 0 377.432 3.897 20 30 GHEDRO Cc1cccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C#N ZINC001309056382 1050308413 /nfs/dbraw/zinc/30/84/13/1050308413.db2.gz NEEVXYGXMRWOIC-SFHVURJKSA-N 1 0 397.544 3.720 20 30 GHEDRO C#CC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001328398384 1050495577 /nfs/dbraw/zinc/49/55/77/1050495577.db2.gz KVEPGWBFMKGJII-WRWLIDTKSA-N 1 0 391.918 3.917 20 30 GHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CCOCC1 ZINC001328835610 1050654422 /nfs/dbraw/zinc/65/44/22/1050654422.db2.gz ZCGWFAIAHZYIHS-SJORKVTESA-N 1 0 385.533 3.547 20 30 GHEDRO C#Cc1cncc(C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001330633634 1051047285 /nfs/dbraw/zinc/04/72/85/1051047285.db2.gz FKZWZRIYJDKXAY-QHCPKHFHSA-N 1 0 387.527 3.826 20 30 GHEDRO N#CC1(c2ccccc2)CC([NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC001331518531 1051309136 /nfs/dbraw/zinc/30/91/36/1051309136.db2.gz DSBQTEZJNWSQJN-UHFFFAOYSA-N 1 0 384.277 3.601 20 30 GHEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001310374756 1051316608 /nfs/dbraw/zinc/31/66/08/1051316608.db2.gz WVPHPRRGCBZDER-FQEVSTJZSA-N 1 0 395.478 3.618 20 30 GHEDRO N#CC1(NC(=O)c2cccc3scnc32)CC[NH+](Cc2ccccc2)CC1 ZINC001331696874 1051353440 /nfs/dbraw/zinc/35/34/40/1051353440.db2.gz RPMYYOGNPRKFOK-UHFFFAOYSA-N 1 0 376.485 3.584 20 30 GHEDRO Cc1nc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)ccc1C#N ZINC001331785878 1051373643 /nfs/dbraw/zinc/37/36/43/1051373643.db2.gz DJTYKEPWQHXYOE-UHFFFAOYSA-N 1 0 388.515 3.780 20 30 GHEDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC001310858011 1051657002 /nfs/dbraw/zinc/65/70/02/1051657002.db2.gz RYQCWZQEQTYHLN-CYBMUJFWSA-N 1 0 381.933 3.786 20 30 GHEDRO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cc1C#N ZINC001311120941 1051875256 /nfs/dbraw/zinc/87/52/56/1051875256.db2.gz BZCCVQHKDMIRCA-OAQYLSRUSA-N 1 0 392.503 3.941 20 30 GHEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCNC(=O)c1ccccc1C(F)(F)F ZINC001334314949 1051930629 /nfs/dbraw/zinc/93/06/29/1051930629.db2.gz SNNNCDZHHDJBBF-UHFFFAOYSA-N 1 0 375.394 3.714 20 30 GHEDRO CN(C)C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC001335461534 1052108529 /nfs/dbraw/zinc/10/85/29/1052108529.db2.gz WQTYRPSEGLEKLY-RTBURBONSA-N 1 0 377.410 3.503 20 30 GHEDRO C#C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC001311619483 1052285367 /nfs/dbraw/zinc/28/53/67/1052285367.db2.gz PAGZSBRMTAUOCT-RBUKOAKNSA-N 1 0 391.849 3.895 20 30 GHEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(Oc3ccccc3F)c2)CCOCC1 ZINC001336794794 1052336000 /nfs/dbraw/zinc/33/60/00/1052336000.db2.gz NKVLKENYVLCPLN-GOSISDBHSA-N 1 0 384.451 3.779 20 30 GHEDRO C=CCC[C@@H](NC(=O)N(C)C1(C[NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001336863708 1052353417 /nfs/dbraw/zinc/35/34/17/1052353417.db2.gz VQSKLYHJBZPUSD-QGZVFWFLSA-N 1 0 399.457 3.862 20 30 GHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ncoc1C(C)C ZINC001337082810 1052394688 /nfs/dbraw/zinc/39/46/88/1052394688.db2.gz NIKPSUNGYUEUQB-UHFFFAOYSA-N 1 0 375.542 3.896 20 30 GHEDRO C#CCC1(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CCOCC1 ZINC001311994684 1052520039 /nfs/dbraw/zinc/52/00/39/1052520039.db2.gz RDKAGGWGAJEJSG-IBGZPJMESA-N 1 0 383.536 3.522 20 30 GHEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC ZINC001312071074 1052556820 /nfs/dbraw/zinc/55/68/20/1052556820.db2.gz DNRHORJTPCQWTG-NRFANRHFSA-N 1 0 399.922 3.692 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001312581725 1052799264 /nfs/dbraw/zinc/79/92/64/1052799264.db2.gz GOEVWUARMIPKFN-OXJNMPFZSA-N 1 0 396.922 3.779 20 30 GHEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001313586195 1053117624 /nfs/dbraw/zinc/11/76/24/1053117624.db2.gz RYSOYLRSNVWNBZ-LJQANCHMSA-N 1 0 390.491 3.701 20 30 GHEDRO C=C(C)Cn1c(C2SCCCS2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001342372306 1053134542 /nfs/dbraw/zinc/13/45/42/1053134542.db2.gz JIVPWWBVDCQYAA-MRXNPFEDSA-N 1 0 393.626 3.788 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N(CC1CC1)C1CCC1 ZINC001342464488 1053183892 /nfs/dbraw/zinc/18/38/92/1053183892.db2.gz UTBHVJVMHLOYMJ-NRFANRHFSA-N 1 0 399.583 3.939 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+](C)C(C)C ZINC001313759996 1053207964 /nfs/dbraw/zinc/20/79/64/1053207964.db2.gz AXDYKKJEIPKTAK-UHFFFAOYSA-N 1 0 380.540 3.783 20 30 GHEDRO CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313761984 1053210309 /nfs/dbraw/zinc/21/03/09/1053210309.db2.gz NIBBGJIWNAIWEC-GOSISDBHSA-N 1 0 392.551 3.785 20 30 GHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@](F)(C#N)C1 ZINC001313908864 1053285074 /nfs/dbraw/zinc/28/50/74/1053285074.db2.gz POGYIHKQRLYVQV-GCJKJVERSA-N 1 0 396.514 3.570 20 30 GHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2C(C)C)C[C@@H]1C ZINC001313935587 1053291521 /nfs/dbraw/zinc/29/15/21/1053291521.db2.gz ISWKBGDXEPNCAR-FFZOFVMBSA-N 1 0 378.524 3.564 20 30 GHEDRO CC(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342761974 1053343339 /nfs/dbraw/zinc/34/33/39/1053343339.db2.gz YSDDQBMJPOXQPW-UHFFFAOYSA-N 1 0 386.588 3.871 20 30 GHEDRO C=C(C)Cn1c(C[C@@H](C)SC)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342879529 1053404322 /nfs/dbraw/zinc/40/43/22/1053404322.db2.gz DCVKFNXPFZLSBL-QGZVFWFLSA-N 1 0 377.602 3.603 20 30 GHEDRO CCC(C#N)(CC)c1nnc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)n1CC(C)C ZINC001343046051 1053516063 /nfs/dbraw/zinc/51/60/63/1053516063.db2.gz UNDAMFFGAQUTMA-GBESFXJTSA-N 1 0 386.588 3.682 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)[C@H](C)O)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001343072400 1053533378 /nfs/dbraw/zinc/53/33/78/1053533378.db2.gz QNOMAVGQXCLZIE-RBUKOAKNSA-N 1 0 389.588 3.573 20 30 GHEDRO C[NH+](C)[C@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)c1ccco1 ZINC001314653035 1053551439 /nfs/dbraw/zinc/55/14/39/1053551439.db2.gz KYWAMUITPGGKHH-IERDGZPVSA-N 1 0 384.528 3.602 20 30 GHEDRO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C2CCOCC2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001343232625 1053637280 /nfs/dbraw/zinc/63/72/80/1053637280.db2.gz JICLCRQBALFFSM-GIVPXCGWSA-N 1 0 399.583 3.939 20 30 GHEDRO C=C(C)Cn1c(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nnc1C(C)(C)C#N ZINC001343314352 1053698199 /nfs/dbraw/zinc/69/81/99/1053698199.db2.gz CCUGWJVRSCAIRZ-OALUTQOASA-N 1 0 384.572 3.746 20 30 GHEDRO C=C(C)Cn1c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nnc1C(F)(F)CC1CC1 ZINC001343376478 1053734485 /nfs/dbraw/zinc/73/44/85/1053734485.db2.gz VITFQGIVBGQUEU-BZSNNMDCSA-N 1 0 393.526 3.913 20 30 GHEDRO COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001343396112 1053748426 /nfs/dbraw/zinc/74/84/26/1053748426.db2.gz AXMIOMQGVQFCEN-OAQYLSRUSA-N 1 0 391.471 3.642 20 30 GHEDRO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343456312 1053782513 /nfs/dbraw/zinc/78/25/13/1053782513.db2.gz DLPDCKGDHXVGFL-VJANTYMQSA-N 1 0 389.588 3.897 20 30 GHEDRO C=C[C@H](O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CC(=C)C ZINC001343535175 1053850179 /nfs/dbraw/zinc/85/01/79/1053850179.db2.gz AHPUVZWITCZQEP-ICSRJNTNSA-N 1 0 387.572 3.555 20 30 GHEDRO C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001343583671 1053906378 /nfs/dbraw/zinc/90/63/78/1053906378.db2.gz SHIIJZSVRBICJJ-GUDVDZBRSA-N 1 0 387.572 3.590 20 30 GHEDRO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343607353 1053922789 /nfs/dbraw/zinc/92/27/89/1053922789.db2.gz WFUJPMXUKHQOCY-SFHVURJKSA-N 1 0 375.561 3.797 20 30 GHEDRO CC[NH+](CC)C1CCN(c2nnc(CCCC#N)n2Cc2cccs2)CC1 ZINC001344691563 1054676498 /nfs/dbraw/zinc/67/64/98/1054676498.db2.gz MTJJABLLQXHHLA-UHFFFAOYSA-N 1 0 386.569 3.545 20 30 GHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001319087415 1055029992 /nfs/dbraw/zinc/02/99/92/1055029992.db2.gz VCIBPDKYDUVJKB-UHFFFAOYSA-N 1 0 386.883 3.835 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccnc2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001300450078 1056131351 /nfs/dbraw/zinc/13/13/51/1056131351.db2.gz BXSJGSFALZXJFM-SFHVURJKSA-N 1 0 388.519 3.539 20 30 GHEDRO C#CCN(C)c1nnc(-c2ccccc2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300450460 1056132425 /nfs/dbraw/zinc/13/24/25/1056132425.db2.gz UPRWIDRKWDXQPD-WOJBJXKFSA-N 1 0 379.552 3.773 20 30 GHEDRO C#CCN(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001300470304 1056208356 /nfs/dbraw/zinc/20/83/56/1056208356.db2.gz KYJULDZHNFFAEC-JOCHJYFZSA-N 1 0 391.563 3.917 20 30 GHEDRO C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001300523219 1056360684 /nfs/dbraw/zinc/36/06/84/1056360684.db2.gz XXZLMOOYHMYVRP-OAQYLSRUSA-N 1 0 389.547 3.673 20 30 GHEDRO N#CCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC001321819015 1056408411 /nfs/dbraw/zinc/40/84/11/1056408411.db2.gz UGMUYAYDISBZPK-LJQANCHMSA-N 1 0 379.460 3.732 20 30 GHEDRO CN(c1ccccc1C=[NH+][N-]c1ccc(C(C)(C)C)nn1)C1CC[NH+](C)CC1 ZINC001321922892 1056445879 /nfs/dbraw/zinc/44/58/79/1056445879.db2.gz MAEUGVMLUJEWGX-UHFFFAOYSA-N 1 0 380.540 3.751 20 30 GHEDRO Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1N1CC[NH+](C)CC1 ZINC001322401322 1056678155 /nfs/dbraw/zinc/67/81/55/1056678155.db2.gz CBOJDHJUYNLFTM-UHFFFAOYSA-N 1 0 376.504 3.800 20 30 GHEDRO C#CCN(CC)c1nnc(C2CCC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001300620982 1056692457 /nfs/dbraw/zinc/69/24/57/1056692457.db2.gz IOSBAAGLCFHRPP-NRFANRHFSA-N 1 0 379.552 3.870 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21)C(C)C ZINC001323971873 1057046960 /nfs/dbraw/zinc/04/69/60/1057046960.db2.gz RCCIMZKSRXLOAX-WOJBJXKFSA-N 1 0 387.572 3.839 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCc2cn(C(C)C)nc21)C(C)C ZINC001323971869 1057047055 /nfs/dbraw/zinc/04/70/55/1057047055.db2.gz RCCIMZKSRXLOAX-PMACEKPBSA-N 1 0 387.572 3.839 20 30 GHEDRO C=CC[C@@H]1N(c2nnc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2C)CCCC1(C)C ZINC001355308531 1057113757 /nfs/dbraw/zinc/11/37/57/1057113757.db2.gz BCPOICOBOPTNJW-OALUTQOASA-N 1 0 387.572 3.702 20 30 GHEDRO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001355900164 1057309034 /nfs/dbraw/zinc/30/90/34/1057309034.db2.gz JXMZPAFWVMBPIR-LJQANCHMSA-N 1 0 378.524 3.502 20 30 GHEDRO C=CCn1c(C2CCCCC2)nnc1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001355930938 1057321525 /nfs/dbraw/zinc/32/15/25/1057321525.db2.gz SFFVXRCKAWZYEV-UHFFFAOYSA-N 1 0 387.572 3.593 20 30 GHEDRO C=CCn1c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001356007430 1057353695 /nfs/dbraw/zinc/35/36/95/1057353695.db2.gz IXFYMJZLKMOBFG-FDDCHVKYSA-N 1 0 394.567 3.500 20 30 GHEDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccn(-c3cccc(C#N)c3)n2)o1 ZINC001325820763 1057369669 /nfs/dbraw/zinc/36/96/69/1057369669.db2.gz CQBFSCCVUXOULI-INIZCTEOSA-N 1 0 376.464 3.629 20 30 GHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1OC(F)F ZINC001325873368 1057377517 /nfs/dbraw/zinc/37/75/17/1057377517.db2.gz YOYNFBMPDXVIAR-XJKSGUPXSA-N 1 0 394.393 3.584 20 30 GHEDRO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001356100875 1057389246 /nfs/dbraw/zinc/38/92/46/1057389246.db2.gz OXAUQPSFYAASFX-MOPGFXCFSA-N 1 0 387.572 3.590 20 30 GHEDRO CC(C)CC(=O)Nc1cccc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c1 ZINC001326585380 1057517274 /nfs/dbraw/zinc/51/72/74/1057517274.db2.gz ZUCMUDCLLIEECG-UHFFFAOYSA-N 1 0 378.476 3.661 20 30 GHEDRO C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001356524961 1057537791 /nfs/dbraw/zinc/53/77/91/1057537791.db2.gz NCZDKTYPTDBTPR-SFHVURJKSA-N 1 0 382.556 3.712 20 30 GHEDRO CCOc1ccc(Oc2cc(CNC(NCc3ccco3)=[NH+]C)ccn2)cc1 ZINC000849034533 1057539943 /nfs/dbraw/zinc/53/99/43/1057539943.db2.gz XOMRYBNGXCHGOR-UHFFFAOYSA-N 1 0 380.448 3.731 20 30 GHEDRO C[NH+]=C(NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)NC1CC1 ZINC000849049977 1057556175 /nfs/dbraw/zinc/55/61/75/1057556175.db2.gz MECLGDROISGWOJ-SFHVURJKSA-N 1 0 388.968 3.828 20 30 GHEDRO CCS(=O)(=O)c1ccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)cc1 ZINC000849077165 1057583905 /nfs/dbraw/zinc/58/39/05/1057583905.db2.gz SLKWBIKNFXYKTB-UHFFFAOYSA-N 1 0 385.533 3.934 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC001440599066 1058543885 /nfs/dbraw/zinc/54/38/85/1058543885.db2.gz ZJRKZCNPRHDVTR-NRFANRHFSA-N 1 0 390.531 3.600 20 30 GHEDRO C[N@@H+]1C[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H](c2ccccc2)C1 ZINC001440871204 1058645764 /nfs/dbraw/zinc/64/57/64/1058645764.db2.gz PZGLEEWCUSLLKR-RPWUZVMVSA-N 1 0 381.479 3.765 20 30 GHEDRO CCc1ccc(C#CC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001441319359 1058749117 /nfs/dbraw/zinc/74/91/17/1058749117.db2.gz JGTOMFPHTCOLDT-PMACEKPBSA-N 1 0 390.527 3.526 20 30 GHEDRO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001339139869 1058978047 /nfs/dbraw/zinc/97/80/47/1058978047.db2.gz MGHSMJSYCIRAEG-PKOBYXMFSA-N 1 0 375.561 3.510 20 30 GHEDRO C=CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1[C@@H](OC)C1CCCC1 ZINC001339141261 1058979263 /nfs/dbraw/zinc/97/92/63/1058979263.db2.gz XOTDGGFRRKXDSC-IBGZPJMESA-N 1 0 399.543 3.549 20 30 GHEDRO C=C[C@@H](CC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC001443585264 1059154269 /nfs/dbraw/zinc/15/42/69/1059154269.db2.gz NTHWYHBQALDWDK-QHCPKHFHSA-N 1 0 391.559 3.623 20 30 GHEDRO C=C(C[NH+](C)C)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC001446092761 1059698628 /nfs/dbraw/zinc/69/86/28/1059698628.db2.gz FHNUGPUDZHTVKD-UHFFFAOYSA-N 1 0 380.311 3.937 20 30 GHEDRO CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001545996715 1059973036 /nfs/dbraw/zinc/97/30/36/1059973036.db2.gz CJVONLCNVYLWEO-CTNGQTDRSA-N 1 0 394.567 3.790 20 30 GHEDRO CCn1c(CC(C)(C)C#N)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001341163921 1060463324 /nfs/dbraw/zinc/46/33/24/1060463324.db2.gz LEGXUBWDHYAEKW-UHFFFAOYSA-N 1 0 394.567 3.739 20 30 GHEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001450481211 1060601342 /nfs/dbraw/zinc/60/13/42/1060601342.db2.gz AOEWNQKIOADZLX-FQEVSTJZSA-N 1 0 388.483 3.870 20 30 GHEDRO C=C(C)Cn1c([C@@H](O)CC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001341780253 1060886608 /nfs/dbraw/zinc/88/66/08/1060886608.db2.gz HAINJCZVEUTPSV-OALUTQOASA-N 1 0 389.588 3.636 20 30 GHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3CCNc4ccccc43)CC2)c1 ZINC001342070374 1061038955 /nfs/dbraw/zinc/03/89/55/1061038955.db2.gz PYHUYTCGJKBTHD-FQEVSTJZSA-N 1 0 388.515 3.628 20 30 GHEDRO C=C(C)Cn1c(N2CCC([NH2+]C(C)C)CC2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001342190528 1061119036 /nfs/dbraw/zinc/11/90/36/1061119036.db2.gz XTOOQJFKPAHEPQ-QFIPXVFZSA-N 1 0 382.556 3.546 20 30 GHEDRO C=CCn1c(-c2cncc3ccccc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001342206977 1061134825 /nfs/dbraw/zinc/13/48/25/1061134825.db2.gz BAJVLPCHRTXSQC-GOSISDBHSA-N 1 0 390.535 3.847 20 30 GHEDRO C=CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC001342227112 1061155711 /nfs/dbraw/zinc/15/57/11/1061155711.db2.gz AHILBZFJOIUQNJ-JOCHJYFZSA-N 1 0 380.488 3.871 20 30 GHEDRO N#CC1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCCCC1 ZINC001453571367 1061158540 /nfs/dbraw/zinc/15/85/40/1061158540.db2.gz WVZPAHRRJYEEFB-SFHVURJKSA-N 1 0 375.463 3.734 20 30 GHEDRO C[C@H]1CCCN(c2nnc(C3CCN(CCC#N)CC3)n2Cc2cccs2)C1 ZINC001345970968 1061252590 /nfs/dbraw/zinc/25/25/90/1061252590.db2.gz YQXGYLXLNBFHHI-KRWDZBQOSA-N 1 0 398.580 3.717 20 30 GHEDRO CCC1([NH+]2CCCCC2)CCN(c2nnc(CCCC#N)n2CC2CC2)CC1 ZINC001346517950 1061641112 /nfs/dbraw/zinc/64/11/12/1061641112.db2.gz HARMSTGPDPYDNL-UHFFFAOYSA-N 1 0 384.572 3.769 20 30 GHEDRO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001346703409 1061806526 /nfs/dbraw/zinc/80/65/26/1061806526.db2.gz IGQUBAGTPMFUMC-QGZVFWFLSA-N 1 0 392.507 3.701 20 30 GHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCC[C@@H]2C#N)C1 ZINC001454653268 1061902536 /nfs/dbraw/zinc/90/25/36/1061902536.db2.gz UZGCRLKVAHSJBD-XLIONFOSSA-N 1 0 378.520 3.558 20 30 GHEDRO COc1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)ccc1C#N ZINC001456078176 1062469649 /nfs/dbraw/zinc/46/96/49/1062469649.db2.gz URHBMWWBKPESSL-UHFFFAOYSA-N 1 0 397.906 3.958 20 30 GHEDRO Cc1ccccc1[C@H]1CCN(C(NCC2(O)CCOCC2)=[NH+]C2CCCCC2)C1 ZINC001347735547 1062608691 /nfs/dbraw/zinc/60/86/91/1062608691.db2.gz IBFRCMOKCURQGV-FQEVSTJZSA-N 1 0 399.579 3.604 20 30 GHEDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1C#N ZINC001435666027 1062830780 /nfs/dbraw/zinc/83/07/80/1062830780.db2.gz WJXZUVVCXXBNEU-YPAWHYETSA-N 1 0 389.499 3.597 20 30 GHEDRO Cc1c(C(=O)OC[C@@H](C#N)Cc2cccc(Br)c2)ccc2c[nH+]cn21 ZINC001348151142 1062938983 /nfs/dbraw/zinc/93/89/83/1062938983.db2.gz KVPTVHJECKDZSF-OAHLLOKOSA-N 1 0 398.260 3.945 20 30 GHEDRO C[N@H+](CCCOc1ccccc1CNC(=O)c1ccc(C#N)cn1)C1CCCC1 ZINC001457169186 1062995883 /nfs/dbraw/zinc/99/58/83/1062995883.db2.gz ZNWXBIRFNZGFOO-UHFFFAOYSA-N 1 0 392.503 3.527 20 30 GHEDRO N#Cc1ccc(CSCC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001457772187 1063354956 /nfs/dbraw/zinc/35/49/56/1063354956.db2.gz DAYSJHGPXVPLFY-UHFFFAOYSA-N 1 0 385.577 3.954 20 30 GHEDRO CC1([NH+]2CCCC2)CCN(c2nnc(C3(C#N)CCCCC3)n2CC2CC2)CC1 ZINC001348996997 1063486829 /nfs/dbraw/zinc/48/68/29/1063486829.db2.gz YPSWERVQZAMFAO-UHFFFAOYSA-N 1 0 396.583 3.868 20 30 GHEDRO Cc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(-c2cccs2)n1 ZINC001458240101 1063686109 /nfs/dbraw/zinc/68/61/09/1063686109.db2.gz UPCHOMDQBHPMNY-UHFFFAOYSA-N 1 0 377.517 3.953 20 30 GHEDRO CC(C)N(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437035263 1063746139 /nfs/dbraw/zinc/74/61/39/1063746139.db2.gz YGNDZJOYUVQGEY-UGKGYDQZSA-N 1 0 391.515 3.837 20 30 GHEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC001459390066 1064083517 /nfs/dbraw/zinc/08/35/17/1064083517.db2.gz FTCXDYWCZZGAMV-RBUKOAKNSA-N 1 0 394.515 3.754 20 30 GHEDRO C=CCN1CC[C@H]([N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)C1=O ZINC001459396659 1064085954 /nfs/dbraw/zinc/08/59/54/1064085954.db2.gz SSWWCTQXTXSBII-CUDHKJQZSA-N 1 0 384.520 3.829 20 30 GHEDRO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](COC)Cc1ccccc1 ZINC001459624467 1064148095 /nfs/dbraw/zinc/14/80/95/1064148095.db2.gz DTANFVUOTMKYLK-LJQANCHMSA-N 1 0 385.895 3.730 20 30 GHEDRO COc1cc(N[C@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)cc(OC)c1 ZINC001459695557 1064173973 /nfs/dbraw/zinc/17/39/73/1064173973.db2.gz RDXZJRQHHZPAFX-IBGZPJMESA-N 1 0 395.503 3.921 20 30 GHEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC001459768300 1064207556 /nfs/dbraw/zinc/20/75/56/1064207556.db2.gz HQPVIBOTQVDUGX-UPVQGACJSA-N 1 0 396.579 3.590 20 30 GHEDRO CC[C@H](C[N@H+](C)CC(=O)N(CC)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC001459958678 1064303493 /nfs/dbraw/zinc/30/34/93/1064303493.db2.gz AIZXDZAXMPCNBU-CQSZACIVSA-N 1 0 386.323 3.845 20 30 GHEDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459969233 1064308926 /nfs/dbraw/zinc/30/89/26/1064308926.db2.gz JAQRDETXRIVYEF-NVXWUHKLSA-N 1 0 398.425 3.783 20 30 GHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2nnc(N3CCC(C)(C#N)CC3)n2C)C1 ZINC001351241777 1064323003 /nfs/dbraw/zinc/32/30/03/1064323003.db2.gz VYAUNNFRUDVFMW-VGOFRKELSA-N 1 0 396.514 3.577 20 30 GHEDRO C=CCn1c([C@H]2CCCC[N@@H+]2C2CCCC2)nnc1N(C)Cc1cccc(=O)[nH]1 ZINC001351535290 1064505356 /nfs/dbraw/zinc/50/53/56/1064505356.db2.gz VMFYGWLORLEUQW-LJQANCHMSA-N 1 0 396.539 3.671 20 30 GHEDRO C=CCn1c(C(F)F)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001352032258 1064780016 /nfs/dbraw/zinc/78/00/16/1064780016.db2.gz YVTWERCVESXULA-UHFFFAOYSA-N 1 0 387.478 3.894 20 30 GHEDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc(C)c1C#N ZINC001464120955 1064835540 /nfs/dbraw/zinc/83/55/40/1064835540.db2.gz LRWJXGLVRAQOBP-OALUTQOASA-N 1 0 391.515 3.714 20 30 GHEDRO C=CCn1c(N2CCC(CC)([NH+]3CCC3)CC2)nnc1C(F)(F)CC1CC1 ZINC001352179849 1064910398 /nfs/dbraw/zinc/91/03/98/1064910398.db2.gz CHMIBMOPYHXRFS-UHFFFAOYSA-N 1 0 379.499 3.811 20 30 GHEDRO Cc1cccc(C#N)c1S(=O)(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001464394556 1064985836 /nfs/dbraw/zinc/98/58/36/1064985836.db2.gz PVHPOOGGZKTCOH-NRFANRHFSA-N 1 0 397.544 3.542 20 30 GHEDRO CCCc1sc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1Br ZINC001464474219 1065033210 /nfs/dbraw/zinc/03/32/10/1065033210.db2.gz DPTMEMDLDRWBAY-UHFFFAOYSA-N 1 0 386.359 3.771 20 30 GHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(C)C ZINC001464867524 1065251638 /nfs/dbraw/zinc/25/16/38/1065251638.db2.gz BWUDKTWSGUXTBP-IEBWSBKVSA-N 1 0 376.928 3.706 20 30 GHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000847496287 1065455791 /nfs/dbraw/zinc/45/57/91/1065455791.db2.gz OJQHUZCAMMSIDC-LEWJYISDSA-N 1 0 377.488 3.506 20 30 GHEDRO C#Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC001465385475 1065579351 /nfs/dbraw/zinc/57/93/51/1065579351.db2.gz RMAHFJBBAZCYPJ-UHFFFAOYSA-N 1 0 382.891 3.595 20 30 GHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001465527594 1065690043 /nfs/dbraw/zinc/69/00/43/1065690043.db2.gz XDTXVHYITGYGMT-CQSZACIVSA-N 1 0 378.423 3.688 20 30 GHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000847617954 1065763271 /nfs/dbraw/zinc/76/32/71/1065763271.db2.gz BYJCECTUMGBCGW-UHFFFAOYSA-N 1 0 399.535 3.646 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)C[NH+](C)C ZINC001300290345 1065935537 /nfs/dbraw/zinc/93/55/37/1065935537.db2.gz MSPVSKQSOHEQMC-KRWDZBQOSA-N 1 0 390.535 3.539 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001300290584 1065935928 /nfs/dbraw/zinc/93/59/28/1065935928.db2.gz NPEDKWZJYCULCO-IBGZPJMESA-N 1 0 395.551 3.534 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300291543 1065938014 /nfs/dbraw/zinc/93/80/14/1065938014.db2.gz TWEQYEPBUFKPDJ-PXNSSMCTSA-N 1 0 395.551 3.532 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300294179 1065943934 /nfs/dbraw/zinc/94/39/34/1065943934.db2.gz XSCHCOKVOAPFHO-ICSRJNTNSA-N 1 0 379.552 3.833 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300296050 1065946561 /nfs/dbraw/zinc/94/65/61/1065946561.db2.gz QIBCHMJXAFSVCI-ICSRJNTNSA-N 1 0 392.551 3.595 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300304292 1065959879 /nfs/dbraw/zinc/95/98/79/1065959879.db2.gz QLHBMLDUFGFVTQ-GHTZIAJQSA-N 1 0 377.536 3.668 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300304293 1065960073 /nfs/dbraw/zinc/96/00/73/1065960073.db2.gz QLHBMLDUFGFVTQ-NQIIRXRSSA-N 1 0 377.536 3.668 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCC[NH+]1CCC(C)CC1 ZINC001300314454 1065974788 /nfs/dbraw/zinc/97/47/88/1065974788.db2.gz FZTHKNKLMHVULT-GOSISDBHSA-N 1 0 385.581 3.510 20 30 GHEDRO Cc1ccn2cc(C(=O)OCC3(C#N)CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000847745326 1066011821 /nfs/dbraw/zinc/01/18/21/1066011821.db2.gz GPBLUUIDWNLUAH-UHFFFAOYSA-N 1 0 388.471 3.606 20 30 GHEDRO Cc1cc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1C(C)C ZINC000847746510 1066015091 /nfs/dbraw/zinc/01/50/91/1066015091.db2.gz KHMCGGUCTHLWSH-UHFFFAOYSA-N 1 0 380.492 3.735 20 30 GHEDRO CSCc1cccnc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847746410 1066015604 /nfs/dbraw/zinc/01/56/04/1066015604.db2.gz HECNOHBOHZLFOS-UHFFFAOYSA-N 1 0 395.528 3.907 20 30 GHEDRO COc1ccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000847745953 1066019061 /nfs/dbraw/zinc/01/90/61/1066019061.db2.gz SRRKTQOHVLPCEP-UHFFFAOYSA-N 1 0 382.435 3.797 20 30 GHEDRO CCOc1nc(C)ccc1C(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000847747438 1066022265 /nfs/dbraw/zinc/02/22/65/1066022265.db2.gz HXWRAKIAFRZXLN-UHFFFAOYSA-N 1 0 393.487 3.752 20 30 GHEDRO CCC[C@H]1C[C@@H](C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000847747509 1066023240 /nfs/dbraw/zinc/02/32/40/1066023240.db2.gz KDZQPVAKLDGQTO-SFTDATJTSA-N 1 0 384.520 3.931 20 30 GHEDRO N#CC1(COC(=O)c2cccnc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000847748060 1066032430 /nfs/dbraw/zinc/03/24/30/1066032430.db2.gz WZEOMROPSGUTCK-UHFFFAOYSA-N 1 0 375.472 3.922 20 30 GHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc1C ZINC000847826397 1066213622 /nfs/dbraw/zinc/21/36/22/1066213622.db2.gz GKJWFGDKZQEHDG-GOSISDBHSA-N 1 0 380.492 3.579 20 30 GHEDRO C#CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001300399389 1066219479 /nfs/dbraw/zinc/21/94/79/1066219479.db2.gz KIAZSPDPLWKKCY-IAGOWNOFSA-N 1 0 385.943 3.931 20 30 GHEDRO C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300439896 1066337039 /nfs/dbraw/zinc/33/70/39/1066337039.db2.gz LYMROOOBQAXAQQ-SFHVURJKSA-N 1 0 395.551 3.534 20 30 GHEDRO C=CCn1cc2ccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)cc2n1 ZINC001467351646 1067244316 /nfs/dbraw/zinc/24/43/16/1067244316.db2.gz BEUYPZMDJOMQKY-VGOFRKELSA-N 1 0 389.503 3.864 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2ccc(F)c(F)c2C1)C(C)C ZINC001467660159 1067404244 /nfs/dbraw/zinc/40/42/44/1067404244.db2.gz JMKZWGGALJTODW-IBGZPJMESA-N 1 0 377.479 3.731 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001358878321 1067591500 /nfs/dbraw/zinc/59/15/00/1067591500.db2.gz VANFZXOYPAHXBV-ZWKOTPCHSA-N 1 0 391.519 3.881 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001358879030 1067591932 /nfs/dbraw/zinc/59/19/32/1067591932.db2.gz JOUTWHKLMOBGGW-GHTZIAJQSA-N 1 0 381.568 3.942 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CC[NH+](C(C)C)C(C)C ZINC001358880721 1067593266 /nfs/dbraw/zinc/59/32/66/1067593266.db2.gz RNRVWMYPSQAZSJ-SFHVURJKSA-N 1 0 383.540 3.530 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001358887263 1067597254 /nfs/dbraw/zinc/59/72/54/1067597254.db2.gz SMRQVRXPFBAOQJ-NQIIRXRSSA-N 1 0 377.536 3.841 20 30 GHEDRO C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001358891514 1067598823 /nfs/dbraw/zinc/59/88/23/1067598823.db2.gz IGCWGHFBWMZBTP-IBGZPJMESA-N 1 0 393.579 3.969 20 30 GHEDRO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001358895672 1067602596 /nfs/dbraw/zinc/60/25/96/1067602596.db2.gz OHBFXMVYAXEHMY-RBUKOAKNSA-N 1 0 385.600 3.979 20 30 GHEDRO C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001358936642 1067619972 /nfs/dbraw/zinc/61/99/72/1067619972.db2.gz SQYGIIXSSCJHOW-LEWJYISDSA-N 1 0 399.583 3.635 20 30 GHEDRO C#CCN(CC)c1nnc([C@@H](C)CC)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001358999851 1067643630 /nfs/dbraw/zinc/64/36/30/1067643630.db2.gz FLIJFDHDIQDAOR-RBBKRZOGSA-N 1 0 393.579 3.816 20 30 GHEDRO C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359011583 1067652406 /nfs/dbraw/zinc/65/24/06/1067652406.db2.gz CPGRNYCAKBXXTH-FQEVSTJZSA-N 1 0 399.608 3.900 20 30 GHEDRO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001468288671 1067669776 /nfs/dbraw/zinc/66/97/76/1067669776.db2.gz TXAKQLMWOUCDFU-LJQANCHMSA-N 1 0 380.492 3.609 20 30 GHEDRO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359116238 1067694984 /nfs/dbraw/zinc/69/49/84/1067694984.db2.gz DEWHFLKPHQTILY-HSALFYBXSA-N 1 0 389.588 3.900 20 30 GHEDRO C#CCCOc1ccc(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC001468360413 1067702910 /nfs/dbraw/zinc/70/29/10/1067702910.db2.gz VYGWRGGDKYJXIP-NRFANRHFSA-N 1 0 382.529 3.843 20 30 GHEDRO C=C(Cn1c(C)nnc1N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC001359137910 1067704140 /nfs/dbraw/zinc/70/41/40/1067704140.db2.gz FCRPLXDGZCAYDI-UHFFFAOYSA-N 1 0 393.560 3.726 20 30 GHEDRO C=C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001359163651 1067719102 /nfs/dbraw/zinc/71/91/02/1067719102.db2.gz MXUNHXUQGLNJOO-KRWDZBQOSA-N 1 0 382.537 3.794 20 30 GHEDRO CSc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC001468446267 1067734181 /nfs/dbraw/zinc/73/41/81/1067734181.db2.gz SQNHNDUTNAFGIE-INIZCTEOSA-N 1 0 394.544 3.526 20 30 GHEDRO C=CC1CCN(c2nnc(COCC)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359181724 1067744029 /nfs/dbraw/zinc/74/40/29/1067744029.db2.gz FSAQMJANORVIFV-IBGZPJMESA-N 1 0 389.588 3.872 20 30 GHEDRO C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359231734 1067833227 /nfs/dbraw/zinc/83/32/27/1067833227.db2.gz DNLSSKTXHGBTNC-SJORKVTESA-N 1 0 399.514 3.664 20 30 GHEDRO C=CCN(C)c1nnc(-c2cccn2C)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001359237055 1067843195 /nfs/dbraw/zinc/84/31/95/1067843195.db2.gz JXIVERHCIUDWFW-SFHVURJKSA-N 1 0 382.512 3.582 20 30 GHEDRO C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359244275 1067857470 /nfs/dbraw/zinc/85/74/70/1067857470.db2.gz XGGCWCGZHVWTBI-GOSISDBHSA-N 1 0 383.540 3.579 20 30 GHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001468874895 1067914967 /nfs/dbraw/zinc/91/49/67/1067914967.db2.gz DNQSVFPPDWYFBI-AZUAARDMSA-N 1 0 377.573 3.844 20 30 GHEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCSC[C@@H]1C)C(C)C ZINC001359266386 1067928997 /nfs/dbraw/zinc/92/89/97/1067928997.db2.gz ZLZJQDKZNYEHAH-HKUYNNGSSA-N 1 0 389.613 3.796 20 30 GHEDRO C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCC[C@@H]1C ZINC001359272758 1067940897 /nfs/dbraw/zinc/94/08/97/1067940897.db2.gz BABQOLWSUJLGTH-SFHVURJKSA-N 1 0 383.515 3.671 20 30 GHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001469156205 1067999384 /nfs/dbraw/zinc/99/93/84/1067999384.db2.gz FUYZZRXBMPLODZ-FQEVSTJZSA-N 1 0 387.886 3.927 20 30 GHEDRO C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001359322092 1068031675 /nfs/dbraw/zinc/03/16/75/1068031675.db2.gz POLVKCPEAUSEFF-LEWJYISDSA-N 1 0 397.567 3.561 20 30 GHEDRO C#C[C@H]1CC[C@H](NC(=O)NCc2ccccc2CN(C)Cc2ccco2)CC1 ZINC001477946700 1078640940 /nfs/dbraw/zinc/64/09/40/1078640940.db2.gz BHPHYVULOKCXBJ-XGAFWQRZSA-N 1 0 379.504 3.903 20 30 GHEDRO C[NH+](C)CC#CCNC(=O)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001469498553 1068192640 /nfs/dbraw/zinc/19/26/40/1068192640.db2.gz BFKAKRXYYREHSC-GOTSBHOMSA-N 1 0 375.516 3.712 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC001469948251 1068485845 /nfs/dbraw/zinc/48/58/45/1068485845.db2.gz UUTHBIHYVSCXQP-LJQANCHMSA-N 1 0 382.895 3.594 20 30 GHEDRO C=CCCC[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001478230725 1078775517 /nfs/dbraw/zinc/77/55/17/1078775517.db2.gz LRADKLHYBJLDDR-IBGZPJMESA-N 1 0 384.568 3.763 20 30 GHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC001460142372 1068808750 /nfs/dbraw/zinc/80/87/50/1068808750.db2.gz BXWFVOYOQZGLMI-OAHLLOKOSA-N 1 0 377.423 3.562 20 30 GHEDRO CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC001460413961 1068957402 /nfs/dbraw/zinc/95/74/02/1068957402.db2.gz YQRNHPZGWCGVRK-JOCHJYFZSA-N 1 0 382.529 3.819 20 30 GHEDRO C=CCCOCCNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001478350227 1078826302 /nfs/dbraw/zinc/82/63/02/1078826302.db2.gz QMUAYFSRKXSYQV-QFIPXVFZSA-N 1 0 399.579 3.911 20 30 GHEDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC(C)(C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001471143874 1072940709 /nfs/dbraw/zinc/94/07/09/1072940709.db2.gz HJNYZQMZLADOQQ-QFIPXVFZSA-N 1 0 390.531 3.762 20 30 GHEDRO C#C[C@@H]1CCCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001471486058 1073099017 /nfs/dbraw/zinc/09/90/17/1073099017.db2.gz NKBBCWVTASLMJL-FGCOXFRFSA-N 1 0 387.527 3.709 20 30 GHEDRO N#Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1Br ZINC001472088432 1073330765 /nfs/dbraw/zinc/33/07/65/1073330765.db2.gz RHFOGHBFEULHOF-CYBMUJFWSA-N 1 0 376.298 3.914 20 30 GHEDRO C#CC[N@@H+](C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCc2ccccc21 ZINC001473122194 1073789966 /nfs/dbraw/zinc/78/99/66/1073789966.db2.gz SOBCLMZYNANDSB-PZJWPPBQSA-N 1 0 396.531 3.778 20 30 GHEDRO Cc1ccc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1C ZINC001473349244 1073930942 /nfs/dbraw/zinc/93/09/42/1073930942.db2.gz UXKMIHQEOHTAOV-UHFFFAOYSA-N 1 0 396.922 3.979 20 30 GHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCS[C@H](C)CC3)sc2C1 ZINC001473381671 1073941915 /nfs/dbraw/zinc/94/19/15/1073941915.db2.gz VBAFRHNJVCJYGW-UONOGXRCSA-N 1 0 377.579 3.901 20 30 GHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1(CC)CC ZINC001473409635 1073953182 /nfs/dbraw/zinc/95/31/82/1073953182.db2.gz OGMUENCVLIIYNQ-XPKGASNUSA-N 1 0 377.573 3.879 20 30 GHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1(CC)CC ZINC001473409628 1073953225 /nfs/dbraw/zinc/95/32/25/1073953225.db2.gz OGMUENCVLIIYNQ-KJBWJIBOSA-N 1 0 377.573 3.879 20 30 GHEDRO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)C1 ZINC001473456302 1073973749 /nfs/dbraw/zinc/97/37/49/1073973749.db2.gz ZOVZOBXNBBBFRL-QUCCMNQESA-N 1 0 385.508 3.660 20 30 GHEDRO OCC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001473492391 1073987817 /nfs/dbraw/zinc/98/78/17/1073987817.db2.gz XXTIOCXWQYMOOU-LBPRGKRZSA-N 1 0 395.290 3.933 20 30 GHEDRO N#Cc1ccccc1OCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001473521638 1073999296 /nfs/dbraw/zinc/99/92/96/1073999296.db2.gz QFLUEWRZYWQCEK-HXUWFJFHSA-N 1 0 385.508 3.850 20 30 GHEDRO COC(=O)c1cccc(C[NH2+]C2(CC(=O)OC(C)(C)C)CCCCC2)c1C#N ZINC001473587638 1074034197 /nfs/dbraw/zinc/03/41/97/1074034197.db2.gz NTQDIWYSNIPTDO-UHFFFAOYSA-N 1 0 386.492 3.869 20 30 GHEDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](C[C@@H](O)c2cccc(C#N)c2)[C@@H]1C ZINC001473595035 1074039208 /nfs/dbraw/zinc/03/92/08/1074039208.db2.gz MUCBPJCOMJXICI-XNFNUYLZSA-N 1 0 387.524 3.605 20 30 GHEDRO CC[N@H+]1[C@H](C)CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC001473599774 1074040990 /nfs/dbraw/zinc/04/09/90/1074040990.db2.gz RNWUPVJEYCRTRX-XHSDSOJGSA-N 1 0 388.581 3.630 20 30 GHEDRO C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001473620394 1074051698 /nfs/dbraw/zinc/05/16/98/1074051698.db2.gz HOYCTGODRRJIEE-HSZRJFAPSA-N 1 0 385.467 3.976 20 30 GHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001473637909 1074061682 /nfs/dbraw/zinc/06/16/82/1074061682.db2.gz MQLFBOINZNWFAY-CZUORRHYSA-N 1 0 398.288 3.954 20 30 GHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001473644288 1074063763 /nfs/dbraw/zinc/06/37/63/1074063763.db2.gz BUZSBUOAPHCEAN-XZOQPEGZSA-N 1 0 391.515 3.615 20 30 GHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001473671666 1074077438 /nfs/dbraw/zinc/07/74/38/1074077438.db2.gz ZJDGFBWGAAWCDU-IBGZPJMESA-N 1 0 391.519 3.975 20 30 GHEDRO Cc1ccnc(-c2noc(CC3CC[NH+](Cc4ccc(C#N)c(F)c4)CC3)n2)c1 ZINC001473761189 1074128674 /nfs/dbraw/zinc/12/86/74/1074128674.db2.gz SKWQYGGDMYIDPS-UHFFFAOYSA-N 1 0 391.450 3.906 20 30 GHEDRO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001473790625 1074143868 /nfs/dbraw/zinc/14/38/68/1074143868.db2.gz LSQHLLNDMDNJEK-KBPBESRZSA-N 1 0 385.323 3.975 20 30 GHEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC001473797776 1074146900 /nfs/dbraw/zinc/14/69/00/1074146900.db2.gz SMOBOTNIAMFUMP-REWPJTCUSA-N 1 0 399.535 3.705 20 30 GHEDRO C#CCC1([NH2+]CC(=O)Nc2c(C(=O)OCC)sc3nc(C)cc(C)c32)CCC1 ZINC001473819321 1074159177 /nfs/dbraw/zinc/15/91/77/1074159177.db2.gz BAGBSFBEWKCYFD-UHFFFAOYSA-N 1 0 399.516 3.564 20 30 GHEDRO C#C[C@@H]1CCCC[N@H+]1CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001473868178 1074182501 /nfs/dbraw/zinc/18/25/01/1074182501.db2.gz KZABRIHWFNWJND-FYYLOGMGSA-N 1 0 396.556 3.892 20 30 GHEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001473934367 1074210576 /nfs/dbraw/zinc/21/05/76/1074210576.db2.gz XLVCKSVNFLEPSN-LJQANCHMSA-N 1 0 397.950 3.652 20 30 GHEDRO C#CCC1([NH2+]Cc2cc(Br)c(OCCC)c(OC)c2)CCOCC1 ZINC001474271985 1074320031 /nfs/dbraw/zinc/32/00/31/1074320031.db2.gz MRBPYBGLQPQHDH-UHFFFAOYSA-N 1 0 396.325 3.909 20 30 GHEDRO COc1ccc(C[C@H](C)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC001474404198 1074389041 /nfs/dbraw/zinc/38/90/41/1074389041.db2.gz JEXVHCUNPLJLAV-SFHVURJKSA-N 1 0 381.495 3.702 20 30 GHEDRO C[C@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001493408237 1079266674 /nfs/dbraw/zinc/26/66/74/1079266674.db2.gz YTENNHKKIIUHRI-OALUTQOASA-N 1 0 392.551 3.927 20 30 GHEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493512728 1079275372 /nfs/dbraw/zinc/27/53/72/1079275372.db2.gz WEUROQOHUXCESV-WWMYMODYSA-N 1 0 383.544 3.522 20 30 GHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3cccc(F)c3C#N)C2)O1 ZINC001474682194 1074512055 /nfs/dbraw/zinc/51/20/55/1074512055.db2.gz UANGRVXXACZCRG-MBSDFSHPSA-N 1 0 379.479 3.563 20 30 GHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3cccc(F)c3C#N)C2)O1 ZINC001474682193 1074512085 /nfs/dbraw/zinc/51/20/85/1074512085.db2.gz UANGRVXXACZCRG-JPYJTQIMSA-N 1 0 379.479 3.563 20 30 GHEDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001476056517 1075076427 /nfs/dbraw/zinc/07/64/27/1075076427.db2.gz GERXVZYCWMMHNL-UHFFFAOYSA-N 1 0 379.464 3.599 20 30 GHEDRO CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[N@H+]1CC=CCC1 ZINC001495122493 1079384820 /nfs/dbraw/zinc/38/48/20/1079384820.db2.gz QXRIVNXXQIRJFQ-GOSISDBHSA-N 1 0 378.524 3.562 20 30 GHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 ZINC001500409257 1079600180 /nfs/dbraw/zinc/60/01/80/1079600180.db2.gz ODUDPSCIZIRHEH-UHFFFAOYSA-N 1 0 398.530 3.733 20 30 GHEDRO Cc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ccc1C#N ZINC001656626020 1126258248 /nfs/dbraw/zinc/25/82/48/1126258248.db2.gz KYJMCIDKDHHVLV-FQEVSTJZSA-N 1 0 385.305 3.639 20 30 GHEDRO Cc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ccc1C#N ZINC001656626021 1126258253 /nfs/dbraw/zinc/25/82/53/1126258253.db2.gz KYJMCIDKDHHVLV-HXUWFJFHSA-N 1 0 385.305 3.639 20 30 GHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000359896084 212121517 /nfs/dbraw/zinc/12/15/17/212121517.db2.gz HUGPWBCHSWXDLP-KBXCAEBGSA-N 1 0 390.409 3.718 20 30 GHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736793022 600593609 /nfs/dbraw/zinc/59/36/09/600593609.db2.gz IJDWJFHHHCJBCQ-JTSKRJEESA-N 1 0 377.488 3.706 20 30 GHEDRO CC(C)[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824034817 608531448 /nfs/dbraw/zinc/53/14/48/608531448.db2.gz POYKUPIVIFTVAZ-INIZCTEOSA-N 1 0 376.464 3.568 20 30 GHEDRO